From d901d441f7211c9ef816dd62dda625b5da84adb9 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 17:10:44 +1100
Subject: [PATCH 01/76] update smirnoff for vsites

---
 src/evaluator_io.py |  55 +++++++++++---
 src/smirnoffio.py   | 179 +++++++++++++++++++++++++++++++++++++-------
 2 files changed, 196 insertions(+), 38 deletions(-)

diff --git a/src/evaluator_io.py b/src/evaluator_io.py
index faa29ff6b..12bdadb68 100644
--- a/src/evaluator_io.py
+++ b/src/evaluator_io.py
@@ -16,6 +16,7 @@
 import numpy as np
 from forcebalance.nifty import warn_once, printcool, printcool_dictionary
 from forcebalance.output import getLogger
+from forcebalance.smirnoffio import select_virtual_site_parameter
 from forcebalance.target import Target
 
 try:
@@ -308,20 +309,40 @@ def _parameter_value_from_gradient_key(self, gradient_key):
         bool
             Returns True if the parameter is a cosmetic one.
         """
-        # try:
-        #     import openmm.unit as simtk_unit
-        # except ImportError:
-        #     import simtk.unit as simtk_unit
         from openff.units import unit as openff_unit
 
-
         parameter_handler = self.FF.openff_forcefield.get_parameter_handler(
             gradient_key.tag
         )
-        parameter = (
-            parameter_handler if gradient_key.smirks is None
-            else parameter_handler.parameters[gradient_key.smirks]
-        )
+
+        if gradient_key.smirks is None:
+            parameter = parameter_handler
+        elif gradient_key.tag != "VirtualSites":
+            parameter = parameter_handler.parameters[gradient_key.smirks]
+        else:
+            # VirtualSite parameters are not uniquely identifiable by SMIRKS alone.
+            # Require explicit type/name/match metadata in every VirtualSites key.
+            if gradient_key.virtual_site_type is None:
+                raise KeyError(
+                    f"Gradient key {gradient_key} is missing required virtual_site_type"
+                )
+            if gradient_key.virtual_site_name is None:
+                raise KeyError(
+                    f"Gradient key {gradient_key} is missing required virtual_site_name"
+                )
+            if gradient_key.virtual_site_match is None:
+                raise KeyError(
+                    f"Gradient key {gradient_key} is missing required virtual_site_match"
+                )
+
+            parameter = select_virtual_site_parameter(
+                parameters=parameter_handler.parameters,
+                smirks=gradient_key.smirks,
+                virtual_site_type=gradient_key.virtual_site_type,
+                virtual_site_name=gradient_key.virtual_site_name,
+                virtual_site_match=gradient_key.virtual_site_match,
+                error_context=f"gradient key {gradient_key}",
+            )
 
         attribute_split = re.split(r"(\d+)", gradient_key.attribute)
         attribute_split = list(filter(None, attribute_split))
@@ -474,14 +495,27 @@ def submit_jobs(self, mvals, AGrad=True, AHess=True):
                 string_key = field_list[0]
                 key_split = string_key.split("/")
 
+                virtual_site_kwargs = {}
+
                 if len(key_split) == 3 and key_split[0] == "":
                     parameter_tag = key_split[1].strip()
                     parameter_smirks = None
                     parameter_attribute = key_split[2].strip()
-                elif len(key_split) == 4:
+                elif len(key_split) >= 4:
                     parameter_tag = key_split[0].strip()
                     parameter_smirks = key_split[3].strip()
                     parameter_attribute = key_split[2].strip()
+
+                    if parameter_tag == "VirtualSites":
+                        # VirtualSites keys must include positional identity metadata:
+                        # VirtualSites/<tag>/<attribute>/<smirks>/<type>/<name>/<match>
+                        if len(key_split) != 7:
+                            raise KeyError(
+                                f"VirtualSites parameter key must include type/name/match: {string_key}"
+                            )
+                        virtual_site_kwargs["virtual_site_type"] = key_split[4].strip()
+                        virtual_site_kwargs["virtual_site_name"] = key_split[5].strip()
+                        virtual_site_kwargs["virtual_site_match"] = key_split[6].strip()
                 else:
                     raise NotImplementedError()
 
@@ -490,6 +524,7 @@ def submit_jobs(self, mvals, AGrad=True, AHess=True):
                     tag=parameter_tag,
                     smirks=parameter_smirks,
                     attribute=parameter_attribute,
+                    **virtual_site_kwargs,
                 )
 
                 # Find the unit of the gradient parameter.
diff --git a/src/smirnoffio.py b/src/smirnoffio.py
index 5e1cf37c6..aaa9d02dc 100644
--- a/src/smirnoffio.py
+++ b/src/smirnoffio.py
@@ -71,6 +71,99 @@
 ## pdict is a useless variable if the force field is XML.
 pdict = "XML_Override"
 
+VIRTUAL_SITE_ATTRIBUTE_ORDER = ("type", "name", "match")
+
+def select_virtual_site_parameter(
+    parameters,
+    smirks,
+    virtual_site_type,
+    virtual_site_name,
+    virtual_site_match,
+    error_context="",
+):
+    """Select a unique VirtualSite parameter from a parameter collection.
+
+    Parameters
+    ----------
+    parameters
+        A parameter collection (e.g. OpenFF ``ParameterList``) containing
+        VirtualSite parameter objects.
+    smirks: str
+        The SMIRKS pattern of the VirtualSite parameter.
+    virtual_site_type: str
+        The VirtualSite ``type`` value.
+    virtual_site_name: str
+        The VirtualSite ``name`` value.
+    virtual_site_match: str
+        The VirtualSite ``match`` value.
+    error_context: str, optional
+        Extra text to include in error messages for easier debugging.
+
+    Returns
+    -------
+    object
+        The uniquely matched VirtualSite parameter object.
+
+    Raises
+    ------
+    KeyError
+        If required identifiers are missing, no parameter matches, or multiple
+        parameters match the requested identity.
+    """
+
+    identifiers = {
+        "smirks": smirks,
+        "type": virtual_site_type,
+        "name": virtual_site_name,
+        "match": virtual_site_match,
+    }
+
+    missing = [key for key, value in identifiers.items() if value is None]
+    if missing:
+        context = f" for {error_context}" if error_context else ""
+        raise KeyError(
+            f"VirtualSites parameter selection requires non-None identifiers{context}: "
+            f"missing {', '.join(missing)}"
+        )
+
+    matches = []
+
+    for parameter in parameters:
+        # Ignore incomplete entries: identity-based matching only works when all
+        # VirtualSite identity fields are explicitly present.
+        if (
+            parameter.smirks is None
+            or parameter.type is None
+            or parameter.name is None
+            or parameter.match is None
+        ):
+            continue
+
+        if (
+            parameter.smirks == smirks
+            and parameter.type == virtual_site_type
+            and parameter.name == virtual_site_name
+            and parameter.match == virtual_site_match
+        ):
+            matches.append(parameter)
+
+    context = f" ({error_context})" if error_context else ""
+
+    if len(matches) == 1:
+        return matches[0]
+
+    # Include the full requested identity to make ambiguity diagnostics actionable.
+    identity = (
+        f"smirks={smirks}, type={virtual_site_type}, "
+        f"name={virtual_site_name}, match={virtual_site_match}"
+    )
+
+    if len(matches) == 0:
+        raise KeyError(f"No VirtualSites parameter matched {identity}{context}")
+
+    raise KeyError(f"Multiple VirtualSites parameters matched {identity}{context}")
+
+
 def smirnoff_analyze_parameter_coverage(forcefield, tgt_opts):
     printcool("SMIRNOFF Parameter Coverage Analysis")
     assert hasattr(forcefield, 'offxml'), "Only SMIRNOFF Force Field is supported"
@@ -141,7 +234,14 @@ def build_pid(self, element, parameter):
         InteractionType = element.tag
         try:
             Involved = element.attrib["smirks"]
-            return "/".join([ParentType, InteractionType, parameter, Involved])
+            pid_parts = [ParentType, InteractionType, parameter, Involved]
+
+            if ParentType == "VirtualSites":
+                for key in VIRTUAL_SITE_ATTRIBUTE_ORDER:
+                    if key in element.attrib:
+                        pid_parts.append(element.attrib[key])
+
+            return "/".join(pid_parts)
         except:
             logger.info("Minor warning: Parameter ID %s doesn't contain any SMIRKS patterns, redundancies are possible\n" % ("/".join([InteractionType, parameter])))
             return "/".join([ParentType, InteractionType, parameter])
@@ -152,6 +252,8 @@ def assign_openff_parameter(ff, new_value, pid):
     Assign a SMIRNOFF parameter given the OpenFF ForceField object, the desired parameter value,
     and the parameter's unique ID.
     """
+    from openff.toolkit.typing.engines.smirnoff import ParameterList
+
     # Split the parameter's unique ID into four fields using a slash:
     # Input: ProperTorsions/Proper/k1/[*:1]~[#6X3:2]:[#6X3:3]~[*:4]
     # Output: ProperTorsions, Proper, k1, [*:1]~[#6X3:2]:[#6X3:3]~[*:4]
@@ -168,9 +270,28 @@ def assign_openff_parameter(ff, new_value, pid):
         parameter_container = ff.get_parameter_handler(handler_name)
 
     else:
-        (handler_name, tag_name, value_name, smirks) = pid.split('/')
-
-        from openff.toolkit.typing.engines.smirnoff import ParameterList
+        pid_parts = pid.split('/')
+
+        if len(pid_parts) < 4:
+            raise ValueError(f"Unsupported SMIRNOFF parameter ID format: {pid}")
+
+        handler_name = pid_parts[0]
+        tag_name = pid_parts[1]
+        value_name = pid_parts[2]
+        smirks = pid_parts[3]
+
+        key_metadata = {}
+        if handler_name == "VirtualSites":
+            # VirtualSite IDs must include positional metadata in the same order
+            # emitted by `build_pid`.
+            if len(pid_parts) != 7:
+                raise ValueError(
+                    f"VirtualSites parameter ID must include type/name/match: {pid}"
+                )
+            for attrname, attrvalue in zip(
+                VIRTUAL_SITE_ATTRIBUTE_ORDER, pid_parts[4:7]
+            ):
+                key_metadata[attrname] = attrvalue
 
         # Get the OpenFF parameter object
 
@@ -181,7 +302,19 @@ def assign_openff_parameter(ff, new_value, pid):
                 ff.get_parameter_handler(handler_name).parameters
             )
 
-        parameter_container = ff.get_parameter_handler(handler_name).parameters[smirks]
+        handler_parameters = ff.get_parameter_handler(handler_name).parameters
+
+        if handler_name != "VirtualSites":
+            parameter_container = handler_parameters[smirks]
+        else:
+            parameter_container = select_virtual_site_parameter(
+                parameters=handler_parameters,
+                smirks=smirks,
+                virtual_site_type=key_metadata["type"],
+                virtual_site_name=key_metadata["name"],
+                virtual_site_match=key_metadata["match"],
+                error_context=f"ID: {pid}",
+            )
 
     # Get param_quantity so we can inspect the type and apply units later if appropriate.
     # Also check for a few special cases and handle them individually.
@@ -195,9 +328,7 @@ def assign_openff_parameter(ff, new_value, pid):
         return
     else:
         raise KeyError(
-            "The {} attribute is not supported by the {} handler".format(
-                value_name, handler_name
-            )
+            f"The {value_name} attribute is not supported by the {handler_name} handler"
         )
 
     if hasattr(param_quantity, "units"):
@@ -418,11 +549,11 @@ def prepare(self, pbc=False, mmopts={}, **kwargs):
         interchange = self.forcefield.create_interchange(self.off_topology)
 
         n_virtual_sites = 0
-        self._has_virtual_sites = False
-        if 'VirtualSites' in interchange.handlers:
-            n_virtual_sites = len(interchange['VirtualSites'].slot_map)
-            if n_virtual_sites > 0:
-                self._has_virtual_sites = True
+        virtual_site_collection = interchange.collections.get("VirtualSites")
+        if virtual_site_collection is not None:
+            # Interchange stores applied virtual sites in the collection key map.
+            n_virtual_sites = len(virtual_site_collection.key_map)
+        self._n_virtual_sites = n_virtual_sites
 
         ## Generate OpenMM-compatible positions
         self.xyz_omms = []
@@ -485,7 +616,8 @@ def update_simulation(self, **kwargs):
         # there is no longer a need to create a new force field object here.
         try:
             interchange = self.forcefield.create_interchange(self.off_topology)
-            self.system = interchange.to_openmm()
+            # Use the explicit OpenMM export entrypoint from modern Interchange.
+            self.system = interchange.to_openmm_system()
             self.off_topology = interchange.topology
         except Exception as error:
             logger.error("Error when creating system for %s" % self.mol2)
@@ -498,20 +630,11 @@ def update_simulation(self, **kwargs):
         # If the virtual site parameters have changed,
         # the simulation object must be remade.
         #----
-        # vsprm = GetVirtualSiteParameters(self.system)
-        # if hasattr(self,'vsprm') and len(self.vsprm) > 0 and np.max(np.abs(vsprm - self.vsprm)) != 0.0:
-        #     if hasattr(self, 'simulation'):
-        #         delattr(self, 'simulation')
-        # self.vsprm = vsprm.copy()
-
-        has_vsites = False
-        for particle_idx in range(self.system.getNumParticles()):
-            if self.system.isVirtualSite(particle_idx):
-                has_vsites = True
-
-        if has_vsites:
-            raise Exception("ForceBalance can't currently handle SMIRNOFF vsites. "
-                            "Downgrade to ForceBalance 1.9.3 or earlier to handle those.")
+        vsprm = GetVirtualSiteParameters(self.system)
+        if hasattr(self,'vsprm') and len(self.vsprm) > 0 and np.max(np.abs(vsprm - self.vsprm)) != 0.0:
+            if hasattr(self, 'simulation'):
+                delattr(self, 'simulation')
+        self.vsprm = vsprm.copy()
 
         if hasattr(self, 'simulation'):
             UpdateSimulationParameters(self.system, self.simulation)

From 38b5d02e7dc66296036348c380e500fb1b1fa6be Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 17:10:53 +1100
Subject: [PATCH 02/76] add tests

---
 src/tests/test_smirnoffio.py | 305 +++++++++++++++++++++++++++++++++++
 1 file changed, 305 insertions(+)
 create mode 100644 src/tests/test_smirnoffio.py

diff --git a/src/tests/test_smirnoffio.py b/src/tests/test_smirnoffio.py
new file mode 100644
index 000000000..ef8cafda4
--- /dev/null
+++ b/src/tests/test_smirnoffio.py
@@ -0,0 +1,305 @@
+import pytest
+
+has_openff_toolkit = True
+try:
+    from openff.toolkit.typing.engines.smirnoff import ForceField
+    from openff.toolkit.typing.engines.smirnoff.parameters import VirtualSiteHandler
+    from openff.units import unit
+except ModuleNotFoundError:
+    has_openff_toolkit = False
+
+from forcebalance.smirnoffio import assign_openff_parameter, select_virtual_site_parameter
+
+
+@pytest.mark.skipif(
+    not has_openff_toolkit, reason="openff.toolkit module not found"
+)
+def _build_virtual_site_force_field(include_incomplete=False):
+    force_field = ForceField()
+    vsite_handler = VirtualSiteHandler(version=0.3)
+
+    vsite_handler.add_parameter(
+        {
+            "smirks": "[#1:1]-[#17:2]",
+            "name": "EP1",
+            "type": "BondCharge",
+            "distance": 0.10 * unit.nanometers,
+            "match": "all_permutations",
+            "charge_increment": [
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+            ],
+        }
+    )
+    vsite_handler.add_parameter(
+        {
+            "smirks": "[#1:1]-[#17:2]",
+            "name": "EP2",
+            "type": "BondCharge",
+            "distance": 0.20 * unit.nanometers,
+            "match": "all_permutations",
+            "charge_increment": [
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+            ],
+        }
+    )
+
+    if include_incomplete:
+        vsite_handler.add_parameter(
+            {
+                "smirks": "[#1:1]-[#17:2]",
+                "name": "EP3",
+                "type": "BondCharge",
+                "distance": 0.30 * unit.nanometers,
+                "match": "all_permutations",
+                "charge_increment": [
+                    0.0 * unit.elementary_charge,
+                    0.0 * unit.elementary_charge,
+                ],
+            }
+        )
+        vsite_handler.parameters[-1].match = None
+
+    force_field.register_parameter_handler(vsite_handler)
+    return force_field
+
+
+@pytest.mark.skipif(
+    not has_openff_toolkit, reason="openff.toolkit module not found"
+)
+def test_select_virtual_site_parameter_requires_non_none_identifiers():
+    force_field = _build_virtual_site_force_field()
+
+    with pytest.raises(KeyError, match="requires non-None identifiers"):
+        select_virtual_site_parameter(
+            parameters=force_field.get_parameter_handler("VirtualSites").parameters,
+            smirks="[#1:1]-[#17:2]",
+            virtual_site_type=None,
+            virtual_site_name="EP1",
+            virtual_site_match="all_permutations",
+            error_context="unit test",
+        )
+
+
+@pytest.mark.skipif(
+    not has_openff_toolkit, reason="openff.toolkit module not found"
+)
+def test_select_virtual_site_parameter_selects_unique_match():
+    force_field = _build_virtual_site_force_field(include_incomplete=True)
+
+    parameter = select_virtual_site_parameter(
+        parameters=force_field.get_parameter_handler("VirtualSites").parameters,
+        smirks="[#1:1]-[#17:2]",
+        virtual_site_type="BondCharge",
+        virtual_site_name="EP1",
+        virtual_site_match="all_permutations",
+    )
+
+    assert parameter.name == "EP1"
+
+
+@pytest.mark.skipif(
+    not has_openff_toolkit, reason="openff.toolkit module not found"
+)
+def test_select_virtual_site_parameter_raises_for_ambiguous_match():
+    force_field = ForceField()
+    vsite_handler = VirtualSiteHandler(version=0.3)
+
+    for _ in range(2):
+        vsite_handler.add_parameter(
+            {
+                "smirks": "[#1:1]-[#17:2]",
+                "name": "EP1",
+                "type": "BondCharge",
+                "distance": 0.10 * unit.nanometers,
+                "match": "all_permutations",
+                "charge_increment": [
+                    0.0 * unit.elementary_charge,
+                    0.0 * unit.elementary_charge,
+                ],
+            }
+        )
+
+    force_field.register_parameter_handler(vsite_handler)
+
+    with pytest.raises(KeyError, match="Multiple VirtualSites parameters matched"):
+        select_virtual_site_parameter(
+            parameters=force_field.get_parameter_handler("VirtualSites").parameters,
+            smirks="[#1:1]-[#17:2]",
+            virtual_site_type="BondCharge",
+            virtual_site_name="EP1",
+            virtual_site_match="all_permutations",
+            error_context="ambiguous unit test",
+        )
+
+
+@pytest.mark.skipif(
+    not has_openff_toolkit, reason="openff.toolkit module not found"
+)
+def test_assign_openff_parameter_virtual_site_pid_disambiguation():
+    force_field = ForceField()
+    vsite_handler = VirtualSiteHandler(version=0.3)
+
+    vsite_handler.add_parameter(
+        {
+            "smirks": "[#1:1]-[#17:2]",
+            "name": "EP1",
+            "type": "BondCharge",
+            "distance": 0.10 * unit.nanometers,
+            "match": "all_permutations",
+            "charge_increment": [
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+            ],
+        }
+    )
+    vsite_handler.add_parameter(
+        {
+            "smirks": "[#1:1]-[#17:2]",
+            "name": "EP2",
+            "type": "BondCharge",
+            "distance": 0.20 * unit.nanometers,
+            "match": "all_permutations",
+            "charge_increment": [
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+            ],
+        }
+    )
+
+    force_field.register_parameter_handler(vsite_handler)
+
+    with pytest.raises(KeyError, match="Multiple VirtualSites parameters"):
+        assign_openff_parameter(
+            force_field,
+            0.15,
+            "VirtualSites/VirtualSite/distance/[#1:1]-[#17:2]",
+        )
+
+    assign_openff_parameter(
+        force_field,
+        0.15,
+        "VirtualSites/VirtualSite/distance/[#1:1]-[#17:2]/BondCharge/EP2/all_permutations",
+    )
+
+    ep2 = [
+        parameter
+        for parameter in force_field.get_parameter_handler("VirtualSites").parameters
+        if parameter.name == "EP2"
+    ][0]
+
+    assert pytest.approx(ep2.distance.to(unit.nanometer).magnitude) == 0.15
+
+
+@pytest.mark.skipif(
+    not has_openff_toolkit, reason="openff.toolkit module not found"
+)
+def test_select_virtual_site_parameter_divalent_lone_pair_disambiguation():
+    force_field = ForceField()
+    vsite_handler = VirtualSiteHandler(version=0.3)
+
+    vsite_handler.add_parameter(
+        {
+            "smirks": "[#1:1]-[#8X2H2+0:2]-[#1:3]",
+            "name": "LP1",
+            "type": "DivalentLonePair",
+            "distance": -0.0106 * unit.nanometers,
+            "outOfPlaneAngle": 0.0 * unit.degrees,
+            "match": "once",
+            "charge_increment": [
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+            ],
+        }
+    )
+    vsite_handler.add_parameter(
+        {
+            "smirks": "[#1:1]-[#8X2H2+0:2]-[#1:3]",
+            "name": "LP2",
+            "type": "DivalentLonePair",
+            "distance": -0.0200 * unit.nanometers,
+            "outOfPlaneAngle": 0.0 * unit.degrees,
+            "match": "once",
+            "charge_increment": [
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+            ],
+        }
+    )
+
+    force_field.register_parameter_handler(vsite_handler)
+
+    parameter = select_virtual_site_parameter(
+        parameters=force_field.get_parameter_handler("VirtualSites").parameters,
+        smirks="[#1:1]-[#8X2H2+0:2]-[#1:3]",
+        virtual_site_type="DivalentLonePair",
+        virtual_site_name="LP2",
+        virtual_site_match="once",
+    )
+
+    assert parameter.name == "LP2"
+
+
+@pytest.mark.skipif(
+    not has_openff_toolkit, reason="openff.toolkit module not found"
+)
+def test_assign_openff_parameter_divalent_lone_pair_pid_disambiguation():
+    force_field = ForceField()
+    vsite_handler = VirtualSiteHandler(version=0.3)
+
+    vsite_handler.add_parameter(
+        {
+            "smirks": "[#1:1]-[#8X2H2+0:2]-[#1:3]",
+            "name": "LP1",
+            "type": "DivalentLonePair",
+            "distance": -0.0106 * unit.nanometers,
+            "outOfPlaneAngle": 0.0 * unit.degrees,
+            "match": "once",
+            "charge_increment": [
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+            ],
+        }
+    )
+    vsite_handler.add_parameter(
+        {
+            "smirks": "[#1:1]-[#8X2H2+0:2]-[#1:3]",
+            "name": "LP2",
+            "type": "DivalentLonePair",
+            "distance": -0.0200 * unit.nanometers,
+            "outOfPlaneAngle": 0.0 * unit.degrees,
+            "match": "once",
+            "charge_increment": [
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+            ],
+        }
+    )
+
+    force_field.register_parameter_handler(vsite_handler)
+
+    with pytest.raises(ValueError, match="VirtualSites parameter ID must include type/name/match"):
+        assign_openff_parameter(
+            force_field,
+            -0.015,
+            "VirtualSites/VirtualSite/distance/[#1:1]-[#8X2H2+0:2]-[#1:3]",
+        )
+
+    assign_openff_parameter(
+        force_field,
+        -0.015,
+        "VirtualSites/VirtualSite/distance/[#1:1]-[#8X2H2+0:2]-[#1:3]/DivalentLonePair/LP2/once",
+    )
+
+    lp2 = [
+        parameter
+        for parameter in force_field.get_parameter_handler("VirtualSites").parameters
+        if parameter.name == "LP2"
+    ][0]
+
+    assert pytest.approx(lp2.distance.to(unit.nanometer).magnitude) == -0.015

From 6977614c303eb3d9b208ffac80b2807a2637ab91 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 17:36:11 +1100
Subject: [PATCH 03/76] add tests

---
 src/tests/test_smirnoffio.py | 64 ++++++++++++++----------------------
 1 file changed, 25 insertions(+), 39 deletions(-)

diff --git a/src/tests/test_smirnoffio.py b/src/tests/test_smirnoffio.py
index ef8cafda4..c9e74e7df 100644
--- a/src/tests/test_smirnoffio.py
+++ b/src/tests/test_smirnoffio.py
@@ -104,32 +104,31 @@ def test_select_virtual_site_parameter_selects_unique_match():
 )
 def test_select_virtual_site_parameter_raises_for_ambiguous_match():
     force_field = ForceField()
-    vsite_handler = VirtualSiteHandler(version=0.3)
-
-    for _ in range(2):
-        vsite_handler.add_parameter(
-            {
-                "smirks": "[#1:1]-[#17:2]",
-                "name": "EP1",
-                "type": "BondCharge",
-                "distance": 0.10 * unit.nanometers,
-                "match": "all_permutations",
-                "charge_increment": [
-                    0.0 * unit.elementary_charge,
-                    0.0 * unit.elementary_charge,
-                ],
-            }
-        )
-
-    force_field.register_parameter_handler(vsite_handler)
+    vsite_handler = force_field.get_parameter_handler("VirtualSites")
+    vsite_handler.add_parameter(
+        {
+            "smirks": "[#1:1]-[#8X2H2+0:2]-[#1:3]",
+            "name": f"LP",
+            "type": "DivalentLonePair",
+            "distance": -0.0106 * unit.nanometers,
+            "outOfPlaneAngle": 0.0 * unit.degrees,
+            "match": "once",
+            "charge_increment": [
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+                0.0 * unit.elementary_charge,
+            ],
+        }
+    )
+    duplicate_parameter_list = list(vsite_handler.parameters) * 3
 
     with pytest.raises(KeyError, match="Multiple VirtualSites parameters matched"):
         select_virtual_site_parameter(
-            parameters=force_field.get_parameter_handler("VirtualSites").parameters,
-            smirks="[#1:1]-[#17:2]",
-            virtual_site_type="BondCharge",
-            virtual_site_name="EP1",
-            virtual_site_match="all_permutations",
+            parameters=duplicate_parameter_list,
+            smirks="[#1:1]-[#8X2H2+0:2]-[#1:3]",
+            virtual_site_type="DivalentLonePair",
+            virtual_site_name="LP",
+            virtual_site_match="once",
             error_context="ambiguous unit test",
         )
 
@@ -139,7 +138,7 @@ def test_select_virtual_site_parameter_raises_for_ambiguous_match():
 )
 def test_assign_openff_parameter_virtual_site_pid_disambiguation():
     force_field = ForceField()
-    vsite_handler = VirtualSiteHandler(version=0.3)
+    vsite_handler = force_field.get_parameter_handler("VirtualSites")
 
     vsite_handler.add_parameter(
         {
@@ -168,15 +167,6 @@ def test_assign_openff_parameter_virtual_site_pid_disambiguation():
         }
     )
 
-    force_field.register_parameter_handler(vsite_handler)
-
-    with pytest.raises(KeyError, match="Multiple VirtualSites parameters"):
-        assign_openff_parameter(
-            force_field,
-            0.15,
-            "VirtualSites/VirtualSite/distance/[#1:1]-[#17:2]",
-        )
-
     assign_openff_parameter(
         force_field,
         0.15,
@@ -197,7 +187,7 @@ def test_assign_openff_parameter_virtual_site_pid_disambiguation():
 )
 def test_select_virtual_site_parameter_divalent_lone_pair_disambiguation():
     force_field = ForceField()
-    vsite_handler = VirtualSiteHandler(version=0.3)
+    vsite_handler = force_field.get_parameter_handler("VirtualSites")
 
     vsite_handler.add_parameter(
         {
@@ -230,8 +220,6 @@ def test_select_virtual_site_parameter_divalent_lone_pair_disambiguation():
         }
     )
 
-    force_field.register_parameter_handler(vsite_handler)
-
     parameter = select_virtual_site_parameter(
         parameters=force_field.get_parameter_handler("VirtualSites").parameters,
         smirks="[#1:1]-[#8X2H2+0:2]-[#1:3]",
@@ -248,7 +236,7 @@ def test_select_virtual_site_parameter_divalent_lone_pair_disambiguation():
 )
 def test_assign_openff_parameter_divalent_lone_pair_pid_disambiguation():
     force_field = ForceField()
-    vsite_handler = VirtualSiteHandler(version=0.3)
+    vsite_handler = force_field.get_parameter_handler("VirtualSites")
 
     vsite_handler.add_parameter(
         {
@@ -281,8 +269,6 @@ def test_assign_openff_parameter_divalent_lone_pair_pid_disambiguation():
         }
     )
 
-    force_field.register_parameter_handler(vsite_handler)
-
     with pytest.raises(ValueError, match="VirtualSites parameter ID must include type/name/match"):
         assign_openff_parameter(
             force_field,

From 9abc5b463da0efe161358a97ef64d0bb55213690 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 20:56:17 +1100
Subject: [PATCH 04/76] this has to move in lockstep with evaluator

---
 devtools/conda-envs/test_env.yaml | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index c96ebe7e7..00b95e44b 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -24,6 +24,10 @@ dependencies:
   - geometric
   # - gromacs =2019.1
   - openff-toolkit >=0.11.3
-  - openff-evaluator >= 0.4.1
+  # - openff-evaluator >= 0.4.1
   # - openff-recharge
   # - openeye-toolkits (Don't have a license file to use with GH Actions.)
+
+  - pip:
+    # install branch of evaluator
+    - git+https://github.com/openforcefield/openff-evaluator.git@update-vsite-parameter-gradients
\ No newline at end of file

From f2102138b5e1a8a225745fa2e018d7a9a6a0f947 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 20:57:31 +1100
Subject: [PATCH 05/76] undo py313

---
 .github/workflows/ci.yml | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 6fb5f1efa..ebe5c29ba 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -24,7 +24,8 @@ jobs:
         python-version:
           - "3.11"
           - "3.12"
-          - "3.13"
+          # pymbar 3 does not support Python 3.13
+          # - "3.13"
 
     env:
       CI_OS: ${{ matrix.os }}

From 1a8db42a023155ced3343e9d979b7ccbc8ada26f Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 22:32:41 +1100
Subject: [PATCH 06/76] pin pint

---
 devtools/conda-envs/test_env.yaml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index 00b95e44b..d48249302 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -27,6 +27,7 @@ dependencies:
   # - openff-evaluator >= 0.4.1
   # - openff-recharge
   # - openeye-toolkits (Don't have a license file to use with GH Actions.)
+  - pint <0.25
 
   - pip:
     # install branch of evaluator

From f84cf6668292d73ebd129f8f522b800ffb1d0094 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 22:37:38 +1100
Subject: [PATCH 07/76] oops use right branch

---
 devtools/conda-envs/test_env.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index d48249302..1cca1d784 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -31,4 +31,4 @@ dependencies:
 
   - pip:
     # install branch of evaluator
-    - git+https://github.com/openforcefield/openff-evaluator.git@update-vsite-parameter-gradients
\ No newline at end of file
+    - git+https://github.com/openforcefield/openff-evaluator.git@fix-vsite-fits
\ No newline at end of file

From c0fcaa49e59deb2d319d1d414c42eb14c61fe3b5 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 23:00:59 +1100
Subject: [PATCH 08/76] add evaluator to env for dependencies

---
 .github/workflows/ci.yml          | 10 +++++-----
 devtools/conda-envs/test_env.yaml |  2 +-
 2 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index ebe5c29ba..153fb875f 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -55,6 +55,11 @@ jobs:
         micromamba info
         micromamba list
 
+    - name: Install package
+      run: |
+        python -m pip install --no-deps .
+        python -c "import forcebalance; print(forcebalance.__version__)"
+
 #       Need to replace ndcctools with this block
 #    - name: Install Work Queue
 #      run: |
@@ -113,11 +118,6 @@ jobs:
         tar xvjf targets.tar.bz2
         cd ../../
 
-    - name: Install package
-      run: |
-        python -m pip install --no-deps .
-        python -c "import forcebalance; print(forcebalance.__version__)"
-
     - name: Run tests
       run: |
         pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml src/tests/
diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index 1cca1d784..2de7bf8c7 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -24,7 +24,7 @@ dependencies:
   - geometric
   # - gromacs =2019.1
   - openff-toolkit >=0.11.3
-  # - openff-evaluator >= 0.4.1
+  - openff-evaluator >= 0.4.1
   # - openff-recharge
   # - openeye-toolkits (Don't have a license file to use with GH Actions.)
   - pint <0.25

From bc464d38cbd0ae74489177c2fcdf57b285cb83a2 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 23:05:02 +1100
Subject: [PATCH 09/76] Revert "add evaluator to env for dependencies"

This reverts commit c0fcaa49e59deb2d319d1d414c42eb14c61fe3b5.
---
 .github/workflows/ci.yml          | 10 +++++-----
 devtools/conda-envs/test_env.yaml |  2 +-
 2 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 153fb875f..ebe5c29ba 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -55,11 +55,6 @@ jobs:
         micromamba info
         micromamba list
 
-    - name: Install package
-      run: |
-        python -m pip install --no-deps .
-        python -c "import forcebalance; print(forcebalance.__version__)"
-
 #       Need to replace ndcctools with this block
 #    - name: Install Work Queue
 #      run: |
@@ -118,6 +113,11 @@ jobs:
         tar xvjf targets.tar.bz2
         cd ../../
 
+    - name: Install package
+      run: |
+        python -m pip install --no-deps .
+        python -c "import forcebalance; print(forcebalance.__version__)"
+
     - name: Run tests
       run: |
         pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml src/tests/
diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index 2de7bf8c7..1cca1d784 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -24,7 +24,7 @@ dependencies:
   - geometric
   # - gromacs =2019.1
   - openff-toolkit >=0.11.3
-  - openff-evaluator >= 0.4.1
+  # - openff-evaluator >= 0.4.1
   # - openff-recharge
   # - openeye-toolkits (Don't have a license file to use with GH Actions.)
   - pint <0.25

From 276aa2e5fc966043ffb29aea7e0a031cd32b3e29 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 23:05:25 +1100
Subject: [PATCH 10/76] install package higher to trigger error earlier

---
 .github/workflows/ci.yml | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index ebe5c29ba..153fb875f 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -55,6 +55,11 @@ jobs:
         micromamba info
         micromamba list
 
+    - name: Install package
+      run: |
+        python -m pip install --no-deps .
+        python -c "import forcebalance; print(forcebalance.__version__)"
+
 #       Need to replace ndcctools with this block
 #    - name: Install Work Queue
 #      run: |
@@ -113,11 +118,6 @@ jobs:
         tar xvjf targets.tar.bz2
         cd ../../
 
-    - name: Install package
-      run: |
-        python -m pip install --no-deps .
-        python -c "import forcebalance; print(forcebalance.__version__)"
-
     - name: Run tests
       run: |
         pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml src/tests/

From 040c7638cfd19b1de73f306f3b65d98b78cb5896 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 23:06:24 +1100
Subject: [PATCH 11/76] add evaluator dependencies

---
 devtools/conda-envs/test_env.yaml | 15 +++++++++++++++
 1 file changed, 15 insertions(+)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index 1cca1d784..58af3c5ae 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -29,6 +29,21 @@ dependencies:
   # - openeye-toolkits (Don't have a license file to use with GH Actions.)
   - pint <0.25
 
+  # evaluator dependencies
+  - dask >=2.7.0
+  - distributed >=2.7.0
+  - dask-jobqueue >=0.8.0
+  - dask-kubernetes
+  - uncertainties
+  - openmmtools
+  - pyyaml
+  - requests
+  - python-dateutil
+  - pydantic =2,<2.12
+  - taproom
+  - dataclasses
+  - pandas =2
+
   - pip:
     # install branch of evaluator
     - git+https://github.com/openforcefield/openff-evaluator.git@fix-vsite-fits
\ No newline at end of file

From 99f616baad893bcbdefb42504c678f7cfe10abb6 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 23:39:04 +1100
Subject: [PATCH 12/76] widen tolerance of evaluator test and wait for server

---
 src/tests/test_system.py | 46 ++++++++++++++++++++++++++++++++++------
 1 file changed, 39 insertions(+), 7 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 835e0e7a8..7f6c1a262 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -2,6 +2,7 @@
 
 from builtins import str
 import os, shutil
+import socket
 import tarfile
 from .__init__ import ForceBalanceTestCase, check_for_openmm
 from forcebalance.parser import parse_inputs
@@ -187,6 +188,7 @@ def setup_method(self, method):
         super(TestEvaluatorBromineStudy, self).setup_method(method)
         cwd = os.path.dirname(os.path.realpath(__file__))
         os.chdir(os.path.join(cwd, '..', '..', 'studies', '003d_evaluator_liquid_bromine'))
+        self.study_directory = os.getcwd()
         ## Extract targets archive.
         targets = tarfile.open('targets.tar.gz','r')
         targets.extractall()
@@ -196,16 +198,46 @@ def setup_method(self, method):
         self.estimator_process = subprocess.Popen([
             "python", "run_server.py", "-ngpus=0", "-ncpus=1"
         ], stdout=subprocess.PIPE, stderr=subprocess.PIPE)
-        ## Give the server time to start.
-        time.sleep(5)
+        ## Wait for the server to start accepting connections.
+        self._wait_for_server_startup(timeout=60)
         self.input_file='gradient.in'
         self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
 
+    def _wait_for_server_startup(self, timeout=60):
+        import time
+        start = time.time()
+        while time.time() - start < timeout:
+            # If process exited, surface logs for easier diagnosis.
+            if self.estimator_process.poll() is not None:
+                out, err = self.estimator_process.communicate()
+                raise RuntimeError(
+                    "Evaluator server exited during startup.\nstdout:\n%s\nstderr:\n%s"
+                    % (out.decode('utf-8', errors='replace'), err.decode('utf-8', errors='replace'))
+                )
+            try:
+                with socket.create_connection(("127.0.0.1", 8000), timeout=1):
+                    return
+            except OSError:
+                time.sleep(1)
+        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8000")
+
     def teardown_method(self):
-        self.estimator_process.terminate()
-        shutil.rmtree("working_directory")
-        shutil.rmtree("stored_data")
-        super(TestEvaluatorBromineStudy, self).teardown_method()
+        try:
+            if hasattr(self, 'estimator_process') and self.estimator_process is not None:
+                self.estimator_process.terminate()
+                self.estimator_process.wait(timeout=10)
+        except Exception:
+            pass
+
+        try:
+            # Ensure cleanup paths are resolved from the study root even if the test changed cwd.
+            if hasattr(self, 'study_directory'):
+                os.chdir(self.study_directory)
+            for folder_name in ["working_directory", "stored_data"]:
+                if os.path.isdir(folder_name):
+                    shutil.rmtree(folder_name)
+        finally:
+            super(TestEvaluatorBromineStudy, self).teardown_method()
 
     def test_bromine_study(self):
         """Check bromine study produces objective function and gradient in expected range """
@@ -215,7 +247,7 @@ def test_bromine_study(self):
         msgX="\nCalculated objective function is outside expected range.\n If this seems reasonable, update EXPECTED_EVALUATOR_BROMINE_OBJECTIVE in test_system.py with these values"
         np.testing.assert_allclose(EXPECTED_EVALUATOR_BROMINE_OBJECTIVE, X, atol=200, err_msg=msgX)
         msgG="\nCalculated gradient is outside expected range.\n If this seems reasonable, update EXPECTED_EVALUATOR_BROMINE_GRADIENT in test_system.py with these values"
-        np.testing.assert_allclose(EXPECTED_EVALUATOR_BROMINE_GRADIENT, G, atol=4000, err_msg=msgG)
+        np.testing.assert_allclose(EXPECTED_EVALUATOR_BROMINE_GRADIENT, G, atol=4300, err_msg=msgG)
 
 class TestLipidStudy(ForceBalanceSystemTest):
     def setup_method(self, method):

From 1c34afa5a7ceb350ab37b707d911f1e6f6e7fb69 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 06:06:59 +1100
Subject: [PATCH 13/76] undo fancy wait method

---
 src/tests/test_system.py | 22 ++--------------------
 1 file changed, 2 insertions(+), 20 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 7f6c1a262..a296757b9 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -198,29 +198,11 @@ def setup_method(self, method):
         self.estimator_process = subprocess.Popen([
             "python", "run_server.py", "-ngpus=0", "-ncpus=1"
         ], stdout=subprocess.PIPE, stderr=subprocess.PIPE)
-        ## Wait for the server to start accepting connections.
-        self._wait_for_server_startup(timeout=60)
+        ## Give the server time to start.
+        time.sleep(5)
         self.input_file='gradient.in'
         self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
 
-    def _wait_for_server_startup(self, timeout=60):
-        import time
-        start = time.time()
-        while time.time() - start < timeout:
-            # If process exited, surface logs for easier diagnosis.
-            if self.estimator_process.poll() is not None:
-                out, err = self.estimator_process.communicate()
-                raise RuntimeError(
-                    "Evaluator server exited during startup.\nstdout:\n%s\nstderr:\n%s"
-                    % (out.decode('utf-8', errors='replace'), err.decode('utf-8', errors='replace'))
-                )
-            try:
-                with socket.create_connection(("127.0.0.1", 8000), timeout=1):
-                    return
-            except OSError:
-                time.sleep(1)
-        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8000")
-
     def teardown_method(self):
         try:
             if hasattr(self, 'estimator_process') and self.estimator_process is not None:

From b8c2d35802422efe3d100462626fbdbfa9d3df0b Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 06:07:33 +1100
Subject: [PATCH 14/76] try pinning dask

---
 devtools/conda-envs/test_env.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index 58af3c5ae..40f849a93 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -30,7 +30,7 @@ dependencies:
   - pint <0.25
 
   # evaluator dependencies
-  - dask >=2.7.0
+  - dask ==2024.2.1
   - distributed >=2.7.0
   - dask-jobqueue >=0.8.0
   - dask-kubernetes

From bdff3237de4579952edb93c3e982d9affaf3932a Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 06:11:52 +1100
Subject: [PATCH 15/76] temporarily remove gmx and other tests to iterate
 faster

---
 .github/workflows/ci.yml | 46 ++++++++++++++++++++--------------------
 1 file changed, 23 insertions(+), 23 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 153fb875f..c4e7f5011 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -89,28 +89,28 @@ jobs:
 
         echo "$GITHUB_WORKSPACE/opt/tinker/8.8.3/bin" >> $GITHUB_PATH
 
-    - name: Install Gromacs
-      run: |
-        wget http://ftp.gromacs.org/pub/gromacs/gromacs-5.1.5.tar.gz
-        tar xvzf gromacs-5.1.5.tar.gz
-        cd gromacs-5.1.5
-        cp -r cmake cmake_s
-        cd cmake
-        cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_DOUBLE=ON -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
-        # replace http:/w with https://w
-        sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
-        make -j 8 && make install
-        cd ../cmake_s
-        cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
-        sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
-        make -j 8 && make install
-        cd ..
-        . $GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin/GMXRC.bash
-        echo "$GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin" >> $GITHUB_PATH
-        which gmx
-        which gmx_d
-        gmx help
-        gmx dump -h
+    # - name: Install Gromacs
+    #   run: |
+    #     wget http://ftp.gromacs.org/pub/gromacs/gromacs-5.1.5.tar.gz
+    #     tar xvzf gromacs-5.1.5.tar.gz
+    #     cd gromacs-5.1.5
+    #     cp -r cmake cmake_s
+    #     cd cmake
+    #     cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_DOUBLE=ON -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
+    #     # replace http:/w with https://w
+    #     sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
+    #     make -j 8 && make install
+    #     cd ../cmake_s
+    #     cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
+    #     sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
+    #     make -j 8 && make install
+    #     cd ..
+    #     . $GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin/GMXRC.bash
+    #     echo "$GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin" >> $GITHUB_PATH
+    #     which gmx
+    #     which gmx_d
+    #     gmx help
+    #     gmx dump -h
 
     - name: Extract data archives
       run: |
@@ -120,7 +120,7 @@ jobs:
 
     - name: Run tests
       run: |
-        pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml src/tests/
+        pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml src/tests/test_system.py
 
     - name: Run water study
       run: |

From 70576645cd936bd7bda09ba8371dc343062ae7cd Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 06:27:28 +1100
Subject: [PATCH 16/76] Revert "temporarily remove gmx and other tests to
 iterate faster"

This reverts commit bdff3237de4579952edb93c3e982d9affaf3932a.
---
 .github/workflows/ci.yml | 46 ++++++++++++++++++++--------------------
 1 file changed, 23 insertions(+), 23 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index c4e7f5011..153fb875f 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -89,28 +89,28 @@ jobs:
 
         echo "$GITHUB_WORKSPACE/opt/tinker/8.8.3/bin" >> $GITHUB_PATH
 
-    # - name: Install Gromacs
-    #   run: |
-    #     wget http://ftp.gromacs.org/pub/gromacs/gromacs-5.1.5.tar.gz
-    #     tar xvzf gromacs-5.1.5.tar.gz
-    #     cd gromacs-5.1.5
-    #     cp -r cmake cmake_s
-    #     cd cmake
-    #     cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_DOUBLE=ON -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
-    #     # replace http:/w with https://w
-    #     sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
-    #     make -j 8 && make install
-    #     cd ../cmake_s
-    #     cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
-    #     sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
-    #     make -j 8 && make install
-    #     cd ..
-    #     . $GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin/GMXRC.bash
-    #     echo "$GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin" >> $GITHUB_PATH
-    #     which gmx
-    #     which gmx_d
-    #     gmx help
-    #     gmx dump -h
+    - name: Install Gromacs
+      run: |
+        wget http://ftp.gromacs.org/pub/gromacs/gromacs-5.1.5.tar.gz
+        tar xvzf gromacs-5.1.5.tar.gz
+        cd gromacs-5.1.5
+        cp -r cmake cmake_s
+        cd cmake
+        cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_DOUBLE=ON -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
+        # replace http:/w with https://w
+        sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
+        make -j 8 && make install
+        cd ../cmake_s
+        cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
+        sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
+        make -j 8 && make install
+        cd ..
+        . $GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin/GMXRC.bash
+        echo "$GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin" >> $GITHUB_PATH
+        which gmx
+        which gmx_d
+        gmx help
+        gmx dump -h
 
     - name: Extract data archives
       run: |
@@ -120,7 +120,7 @@ jobs:
 
     - name: Run tests
       run: |
-        pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml src/tests/test_system.py
+        pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml src/tests/
 
     - name: Run water study
       run: |

From 5b648aacb72d6491f4a16c60a37a1b48a4907ca2 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 07:03:40 +1100
Subject: [PATCH 17/76] get stdout output

---
 src/tests/test_system.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index a296757b9..c25b51fd0 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -197,7 +197,7 @@ def setup_method(self, method):
         import subprocess, time
         self.estimator_process = subprocess.Popen([
             "python", "run_server.py", "-ngpus=0", "-ncpus=1"
-        ], stdout=subprocess.PIPE, stderr=subprocess.PIPE)
+        ])#, stdout=subprocess.PIPE, stderr=subprocess.PIPE)
         ## Give the server time to start.
         time.sleep(5)
         self.input_file='gradient.in'

From 94a5ab2ee6762357d308dc39f9a92f816323c198 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 07:03:53 +1100
Subject: [PATCH 18/76] don't use context manager

---
 .../003d_evaluator_liquid_bromine/run_server.py | 17 +++++++++--------
 1 file changed, 9 insertions(+), 8 deletions(-)

diff --git a/studies/003d_evaluator_liquid_bromine/run_server.py b/studies/003d_evaluator_liquid_bromine/run_server.py
index 2feb7a821..6ca4365be 100644
--- a/studies/003d_evaluator_liquid_bromine/run_server.py
+++ b/studies/003d_evaluator_liquid_bromine/run_server.py
@@ -27,16 +27,17 @@ def main():
         number_of_workers=1, resources_per_worker=worker_resources
     )
 
-    with calculation_backend:
+    calculation_backend.start()
+    assert calculation_backend._started
 
-        server = EvaluatorServer(
-            calculation_backend=calculation_backend,
-            working_directory=working_directory,
-            port=8000,
-        )
+    server = EvaluatorServer(
+        calculation_backend=calculation_backend,
+        working_directory=working_directory,
+        port=8000,
+    )
 
-        # Tell the server to start listening for estimation requests.
-        server.start()
+    # Tell the server to start listening for estimation requests.
+    server.start()
 
 
 if __name__ == "__main__":

From 2f1f4abc21e42dc206827b760d060fb314e0dcdb Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 07:04:05 +1100
Subject: [PATCH 19/76] Reapply "temporarily remove gmx and other tests to
 iterate faster"

This reverts commit 70576645cd936bd7bda09ba8371dc343062ae7cd.
---
 .github/workflows/ci.yml | 46 ++++++++++++++++++++--------------------
 1 file changed, 23 insertions(+), 23 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 153fb875f..c4e7f5011 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -89,28 +89,28 @@ jobs:
 
         echo "$GITHUB_WORKSPACE/opt/tinker/8.8.3/bin" >> $GITHUB_PATH
 
-    - name: Install Gromacs
-      run: |
-        wget http://ftp.gromacs.org/pub/gromacs/gromacs-5.1.5.tar.gz
-        tar xvzf gromacs-5.1.5.tar.gz
-        cd gromacs-5.1.5
-        cp -r cmake cmake_s
-        cd cmake
-        cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_DOUBLE=ON -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
-        # replace http:/w with https://w
-        sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
-        make -j 8 && make install
-        cd ../cmake_s
-        cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
-        sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
-        make -j 8 && make install
-        cd ..
-        . $GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin/GMXRC.bash
-        echo "$GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin" >> $GITHUB_PATH
-        which gmx
-        which gmx_d
-        gmx help
-        gmx dump -h
+    # - name: Install Gromacs
+    #   run: |
+    #     wget http://ftp.gromacs.org/pub/gromacs/gromacs-5.1.5.tar.gz
+    #     tar xvzf gromacs-5.1.5.tar.gz
+    #     cd gromacs-5.1.5
+    #     cp -r cmake cmake_s
+    #     cd cmake
+    #     cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_DOUBLE=ON -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
+    #     # replace http:/w with https://w
+    #     sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
+    #     make -j 8 && make install
+    #     cd ../cmake_s
+    #     cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
+    #     sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
+    #     make -j 8 && make install
+    #     cd ..
+    #     . $GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin/GMXRC.bash
+    #     echo "$GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin" >> $GITHUB_PATH
+    #     which gmx
+    #     which gmx_d
+    #     gmx help
+    #     gmx dump -h
 
     - name: Extract data archives
       run: |
@@ -120,7 +120,7 @@ jobs:
 
     - name: Run tests
       run: |
-        pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml src/tests/
+        pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml src/tests/test_system.py
 
     - name: Run water study
       run: |

From 0d527b4eb9ab18a24d714924e378cd78466d34ca Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 07:48:02 +1100
Subject: [PATCH 20/76] monitor server and change port

---
 src/tests/test_system.py                      |  20 ++++++++++++++++--
 .../run_server.py                             |   2 +-
 .../targets.tar.gz                            | Bin 5695 -> 5697 bytes
 3 files changed, 19 insertions(+), 3 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index c25b51fd0..496a6504b 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -198,11 +198,27 @@ def setup_method(self, method):
         self.estimator_process = subprocess.Popen([
             "python", "run_server.py", "-ngpus=0", "-ncpus=1"
         ])#, stdout=subprocess.PIPE, stderr=subprocess.PIPE)
-        ## Give the server time to start.
-        time.sleep(5)
+        ## Wait for server to start accepting connections.
+        self._wait_for_server_startup(timeout=60)
         self.input_file='gradient.in'
         self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
 
+    def _wait_for_server_startup(self, timeout=60):
+        import time
+        start = time.time()
+        while time.time() - start < timeout:
+            if self.estimator_process.poll() is not None:
+                raise RuntimeError(
+                    "Evaluator server exited during startup with return code %s"
+                    % self.estimator_process.returncode
+                )
+            try:
+                with socket.create_connection(("127.0.0.1", 8000), timeout=1):
+                    return
+            except OSError:
+                time.sleep(1)
+        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8000")
+
     def teardown_method(self):
         try:
             if hasattr(self, 'estimator_process') and self.estimator_process is not None:
diff --git a/studies/003d_evaluator_liquid_bromine/run_server.py b/studies/003d_evaluator_liquid_bromine/run_server.py
index 6ca4365be..638b11e5d 100644
--- a/studies/003d_evaluator_liquid_bromine/run_server.py
+++ b/studies/003d_evaluator_liquid_bromine/run_server.py
@@ -33,7 +33,7 @@ def main():
     server = EvaluatorServer(
         calculation_backend=calculation_backend,
         working_directory=working_directory,
-        port=8000,
+        port=8012,
     )
 
     # Tell the server to start listening for estimation requests.
diff --git a/studies/003d_evaluator_liquid_bromine/targets.tar.gz b/studies/003d_evaluator_liquid_bromine/targets.tar.gz
index e453d6398eadfa9e6307fd6b78ba28b88015441b..c051103df3e197f0d4732508eded2b31634c4a98 100644
GIT binary patch
delta 4708
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zD$&m9Xn}3g%9mD{%k_ag4CV312W;D#ietJr(7E7AxSBC>d|$(N8A8Rj!j+)4Jl&tH
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z$Q(#VI)6ofKD?zfE~AzR9ReSpj&g`7(bK?#Bt9dFGa+|Mtf;6nnT4DAkaWu!&?cP9
z6xtxf=Iw>j7!wQx3G0(y`I9Hn2rCR0NMgTq`9A4$CdHA~2*%8<SSgeQMPf7gR7hec
z6=-mxkp_P+H;dBbRx;5RDNmn`Xw1>4p;Z#hJy>orWWJBzdTgBt$f0F_3h1XbA8nAl
z#|au-Q=!3v6BZGeA<ZCyjZ{m8d!tX|k`QWZV?j|2G{cG_T*6FI6oN}pS{^bFG2e#c
Rz<~pU{|Cf|=b`{C0RWk09d!Tz


From 9abf6761e6bc7d8ff05e354819c5c6993b67341a Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 07:55:41 +1100
Subject: [PATCH 21/76] fix port

---
 src/tests/test_system.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 496a6504b..3f3e5d5f4 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -213,11 +213,11 @@ def _wait_for_server_startup(self, timeout=60):
                     % self.estimator_process.returncode
                 )
             try:
-                with socket.create_connection(("127.0.0.1", 8000), timeout=1):
+                with socket.create_connection(("127.0.0.1", 8012), timeout=1):
                     return
             except OSError:
                 time.sleep(1)
-        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8000")
+        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8012")
 
     def teardown_method(self):
         try:

From c324a8ba904f079651ce580efa64fdee36bafe89 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 07:56:43 +1100
Subject: [PATCH 22/76] only run this one test

---
 .github/workflows/ci.yml | 40 ++++++++++++++++++++--------------------
 1 file changed, 20 insertions(+), 20 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index c4e7f5011..ea0df0552 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -69,25 +69,25 @@ jobs:
 #        python -c "import work_queue"
 #        export PATH="$GITHUB_WORKSPACE/opt/cctools/current/bin:$PATH"
 
-    - name: Install Tinker
-      run: |
-        if [[ "$CI_OS" == 'ubuntu-latest' ]]; then
-          wget https://dasher.wustl.edu/tinker/downloads/bin-linux-8.8.3.tar.gz -O tinker.tar.gz
-        fi
-        if [[ "$CI_OS" == 'macOS-latest' ]]; then
-          wget https://dasher.wustl.edu/tinker/downloads/bin-macos-8.8.3.tar.gz -O tinker.tar.gz
-        fi
-        tar xvzf tinker.tar.gz &> untar.log
-
-        mkdir -p $GITHUB_WORKSPACE/opt/tinker/8.8.3
-        if [[ "$CI_OS" == 'ubuntu-latest' ]]; then
-          mv bin-linux $GITHUB_WORKSPACE/opt/tinker/8.8.3/bin
-        fi
-        if [[ "$CI_OS" == 'macOS-latest' ]]; then
-          mv bin-macos $GITHUB_WORKSPACE/opt/tinker/8.8.3/bin
-        fi
-
-        echo "$GITHUB_WORKSPACE/opt/tinker/8.8.3/bin" >> $GITHUB_PATH
+    # - name: Install Tinker
+    #   run: |
+    #     if [[ "$CI_OS" == 'ubuntu-latest' ]]; then
+    #       wget https://dasher.wustl.edu/tinker/downloads/bin-linux-8.8.3.tar.gz -O tinker.tar.gz
+    #     fi
+    #     if [[ "$CI_OS" == 'macOS-latest' ]]; then
+    #       wget https://dasher.wustl.edu/tinker/downloads/bin-macos-8.8.3.tar.gz -O tinker.tar.gz
+    #     fi
+    #     tar xvzf tinker.tar.gz &> untar.log
+
+    #     mkdir -p $GITHUB_WORKSPACE/opt/tinker/8.8.3
+    #     if [[ "$CI_OS" == 'ubuntu-latest' ]]; then
+    #       mv bin-linux $GITHUB_WORKSPACE/opt/tinker/8.8.3/bin
+    #     fi
+    #     if [[ "$CI_OS" == 'macOS-latest' ]]; then
+    #       mv bin-macos $GITHUB_WORKSPACE/opt/tinker/8.8.3/bin
+    #     fi
+
+    #     echo "$GITHUB_WORKSPACE/opt/tinker/8.8.3/bin" >> $GITHUB_PATH
 
     # - name: Install Gromacs
     #   run: |
@@ -120,7 +120,7 @@ jobs:
 
     - name: Run tests
       run: |
-        pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml src/tests/test_system.py
+        pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml src/tests/test_system.py::TestEvaluatorBromineStudy
 
     - name: Run water study
       run: |

From c054c25d413059dbede99cd1f24cad75c7a60ad4 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 08:08:53 +1100
Subject: [PATCH 23/76] give up on evaluator bromine test

---
 .github/workflows/ci.yml | 96 ++++++++++++++++++++--------------------
 1 file changed, 48 insertions(+), 48 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index ea0df0552..2ee7a70be 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -55,11 +55,6 @@ jobs:
         micromamba info
         micromamba list
 
-    - name: Install package
-      run: |
-        python -m pip install --no-deps .
-        python -c "import forcebalance; print(forcebalance.__version__)"
-
 #       Need to replace ndcctools with this block
 #    - name: Install Work Queue
 #      run: |
@@ -69,48 +64,48 @@ jobs:
 #        python -c "import work_queue"
 #        export PATH="$GITHUB_WORKSPACE/opt/cctools/current/bin:$PATH"
 
-    # - name: Install Tinker
-    #   run: |
-    #     if [[ "$CI_OS" == 'ubuntu-latest' ]]; then
-    #       wget https://dasher.wustl.edu/tinker/downloads/bin-linux-8.8.3.tar.gz -O tinker.tar.gz
-    #     fi
-    #     if [[ "$CI_OS" == 'macOS-latest' ]]; then
-    #       wget https://dasher.wustl.edu/tinker/downloads/bin-macos-8.8.3.tar.gz -O tinker.tar.gz
-    #     fi
-    #     tar xvzf tinker.tar.gz &> untar.log
-
-    #     mkdir -p $GITHUB_WORKSPACE/opt/tinker/8.8.3
-    #     if [[ "$CI_OS" == 'ubuntu-latest' ]]; then
-    #       mv bin-linux $GITHUB_WORKSPACE/opt/tinker/8.8.3/bin
-    #     fi
-    #     if [[ "$CI_OS" == 'macOS-latest' ]]; then
-    #       mv bin-macos $GITHUB_WORKSPACE/opt/tinker/8.8.3/bin
-    #     fi
-
-    #     echo "$GITHUB_WORKSPACE/opt/tinker/8.8.3/bin" >> $GITHUB_PATH
-
-    # - name: Install Gromacs
-    #   run: |
-    #     wget http://ftp.gromacs.org/pub/gromacs/gromacs-5.1.5.tar.gz
-    #     tar xvzf gromacs-5.1.5.tar.gz
-    #     cd gromacs-5.1.5
-    #     cp -r cmake cmake_s
-    #     cd cmake
-    #     cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_DOUBLE=ON -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
-    #     # replace http:/w with https://w
-    #     sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
-    #     make -j 8 && make install
-    #     cd ../cmake_s
-    #     cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
-    #     sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
-    #     make -j 8 && make install
-    #     cd ..
-    #     . $GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin/GMXRC.bash
-    #     echo "$GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin" >> $GITHUB_PATH
-    #     which gmx
-    #     which gmx_d
-    #     gmx help
-    #     gmx dump -h
+    - name: Install Tinker
+      run: |
+        if [[ "$CI_OS" == 'ubuntu-latest' ]]; then
+          wget https://dasher.wustl.edu/tinker/downloads/bin-linux-8.8.3.tar.gz -O tinker.tar.gz
+        fi
+        if [[ "$CI_OS" == 'macOS-latest' ]]; then
+          wget https://dasher.wustl.edu/tinker/downloads/bin-macos-8.8.3.tar.gz -O tinker.tar.gz
+        fi
+        tar xvzf tinker.tar.gz &> untar.log
+
+        mkdir -p $GITHUB_WORKSPACE/opt/tinker/8.8.3
+        if [[ "$CI_OS" == 'ubuntu-latest' ]]; then
+          mv bin-linux $GITHUB_WORKSPACE/opt/tinker/8.8.3/bin
+        fi
+        if [[ "$CI_OS" == 'macOS-latest' ]]; then
+          mv bin-macos $GITHUB_WORKSPACE/opt/tinker/8.8.3/bin
+        fi
+
+        echo "$GITHUB_WORKSPACE/opt/tinker/8.8.3/bin" >> $GITHUB_PATH
+
+    - name: Install Gromacs
+      run: |
+        wget http://ftp.gromacs.org/pub/gromacs/gromacs-5.1.5.tar.gz
+        tar xvzf gromacs-5.1.5.tar.gz
+        cd gromacs-5.1.5
+        cp -r cmake cmake_s
+        cd cmake
+        cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_DOUBLE=ON -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
+        # replace http:/w with https://w
+        sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
+        make -j 8 && make install
+        cd ../cmake_s
+        cmake -DCMAKE_INSTALL_PREFIX=$GITHUB_WORKSPACE/opt/gromacs/5.1.5 -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DGMX_USE_RDTSCP=OFF -DGMX_SIMD=None ..
+        sed -i.bak 's|http:/w|https://w|g' CMakeCache.txt && rm -f CMakeCache.txt.bak
+        make -j 8 && make install
+        cd ..
+        . $GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin/GMXRC.bash
+        echo "$GITHUB_WORKSPACE/opt/gromacs/5.1.5/bin" >> $GITHUB_PATH
+        which gmx
+        which gmx_d
+        gmx help
+        gmx dump -h
 
     - name: Extract data archives
       run: |
@@ -118,9 +113,14 @@ jobs:
         tar xvjf targets.tar.bz2
         cd ../../
 
+    - name: Install package
+      run: |
+        python -m pip install --no-deps .
+        python -c "import forcebalance; print(forcebalance.__version__)"
+
     - name: Run tests
       run: |
-        pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml src/tests/test_system.py::TestEvaluatorBromineStudy
+        pytest -v --cov=forcebalance --cov-config=setup.cfg --durations=0 --cov-report=xml -k "not TestEvaluatorBromineStudy" src/tests/
 
     - name: Run water study
       run: |

From 8de0b0028890fa02d8400c1f20344d057477977f Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 08:09:06 +1100
Subject: [PATCH 24/76] Revert "fix port"

This reverts commit 9abf6761e6bc7d8ff05e354819c5c6993b67341a.
---
 src/tests/test_system.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 3f3e5d5f4..496a6504b 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -213,11 +213,11 @@ def _wait_for_server_startup(self, timeout=60):
                     % self.estimator_process.returncode
                 )
             try:
-                with socket.create_connection(("127.0.0.1", 8012), timeout=1):
+                with socket.create_connection(("127.0.0.1", 8000), timeout=1):
                     return
             except OSError:
                 time.sleep(1)
-        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8012")
+        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8000")
 
     def teardown_method(self):
         try:

From c947c34d226937a32d6fc7207cea4c214b622012 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 08:09:11 +1100
Subject: [PATCH 25/76] Revert "monitor server and change port"

This reverts commit 0d527b4eb9ab18a24d714924e378cd78466d34ca.
---
 src/tests/test_system.py                      |  20 ++----------------
 .../run_server.py                             |   2 +-
 .../targets.tar.gz                            | Bin 5697 -> 5695 bytes
 3 files changed, 3 insertions(+), 19 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 496a6504b..c25b51fd0 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -198,27 +198,11 @@ def setup_method(self, method):
         self.estimator_process = subprocess.Popen([
             "python", "run_server.py", "-ngpus=0", "-ncpus=1"
         ])#, stdout=subprocess.PIPE, stderr=subprocess.PIPE)
-        ## Wait for server to start accepting connections.
-        self._wait_for_server_startup(timeout=60)
+        ## Give the server time to start.
+        time.sleep(5)
         self.input_file='gradient.in'
         self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
 
-    def _wait_for_server_startup(self, timeout=60):
-        import time
-        start = time.time()
-        while time.time() - start < timeout:
-            if self.estimator_process.poll() is not None:
-                raise RuntimeError(
-                    "Evaluator server exited during startup with return code %s"
-                    % self.estimator_process.returncode
-                )
-            try:
-                with socket.create_connection(("127.0.0.1", 8000), timeout=1):
-                    return
-            except OSError:
-                time.sleep(1)
-        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8000")
-
     def teardown_method(self):
         try:
             if hasattr(self, 'estimator_process') and self.estimator_process is not None:
diff --git a/studies/003d_evaluator_liquid_bromine/run_server.py b/studies/003d_evaluator_liquid_bromine/run_server.py
index 638b11e5d..6ca4365be 100644
--- a/studies/003d_evaluator_liquid_bromine/run_server.py
+++ b/studies/003d_evaluator_liquid_bromine/run_server.py
@@ -33,7 +33,7 @@ def main():
     server = EvaluatorServer(
         calculation_backend=calculation_backend,
         working_directory=working_directory,
-        port=8012,
+        port=8000,
     )
 
     # Tell the server to start listening for estimation requests.
diff --git a/studies/003d_evaluator_liquid_bromine/targets.tar.gz b/studies/003d_evaluator_liquid_bromine/targets.tar.gz
index c051103df3e197f0d4732508eded2b31634c4a98..e453d6398eadfa9e6307fd6b78ba28b88015441b 100644
GIT binary patch
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From 3d769c81e2b28339bf46419e4b53674a2d2989ff Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 08:09:51 +1100
Subject: [PATCH 26/76] Revert "don't use context manager"

This reverts commit 94a5ab2ee6762357d308dc39f9a92f816323c198.
---
 .../003d_evaluator_liquid_bromine/run_server.py | 17 ++++++++---------
 1 file changed, 8 insertions(+), 9 deletions(-)

diff --git a/studies/003d_evaluator_liquid_bromine/run_server.py b/studies/003d_evaluator_liquid_bromine/run_server.py
index 6ca4365be..2feb7a821 100644
--- a/studies/003d_evaluator_liquid_bromine/run_server.py
+++ b/studies/003d_evaluator_liquid_bromine/run_server.py
@@ -27,17 +27,16 @@ def main():
         number_of_workers=1, resources_per_worker=worker_resources
     )
 
-    calculation_backend.start()
-    assert calculation_backend._started
+    with calculation_backend:
 
-    server = EvaluatorServer(
-        calculation_backend=calculation_backend,
-        working_directory=working_directory,
-        port=8000,
-    )
+        server = EvaluatorServer(
+            calculation_backend=calculation_backend,
+            working_directory=working_directory,
+            port=8000,
+        )
 
-    # Tell the server to start listening for estimation requests.
-    server.start()
+        # Tell the server to start listening for estimation requests.
+        server.start()
 
 
 if __name__ == "__main__":

From ba273324de260bac63ae5ec297d208b72e7bd8b0 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 08:09:56 +1100
Subject: [PATCH 27/76] Revert "get stdout output"

This reverts commit 5b648aacb72d6491f4a16c60a37a1b48a4907ca2.
---
 src/tests/test_system.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index c25b51fd0..a296757b9 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -197,7 +197,7 @@ def setup_method(self, method):
         import subprocess, time
         self.estimator_process = subprocess.Popen([
             "python", "run_server.py", "-ngpus=0", "-ncpus=1"
-        ])#, stdout=subprocess.PIPE, stderr=subprocess.PIPE)
+        ], stdout=subprocess.PIPE, stderr=subprocess.PIPE)
         ## Give the server time to start.
         time.sleep(5)
         self.input_file='gradient.in'

From 23dc05451bd909878d2b0333438c927886956342 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 11:27:00 +1100
Subject: [PATCH 28/76] expand pythons

---
 .github/workflows/ci.yml | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 2ee7a70be..697c62fb0 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -22,6 +22,8 @@ jobs:
           - macOS-latest
           - ubuntu-latest
         python-version:
+          - "3.9"
+          - "3.10"
           - "3.11"
           - "3.12"
           # pymbar 3 does not support Python 3.13

From c3595f298a75086c00fdc1dab1348c6f2960a20a Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 11:27:10 +1100
Subject: [PATCH 29/76] ignore files from running tests locally

---
 .gitignore | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/.gitignore b/.gitignore
index 3d366800e..4dc70e867 100644
--- a/.gitignore
+++ b/.gitignore
@@ -123,3 +123,12 @@ studies/*/targets/
 studies/*/*.tmp/
 studies/*/*.bak/
 sutdies/*/*.err
+
+# test files from running CI locally
+src/tests/files/XmlScript_out/TIP3G2w.xml
+src/tests/files/targets/dms-liquid/dms.xml
+src/tests/files/temp.bak/
+src/tests/files/test_liquid/targets/Liquid/TIP3G2w.xml
+src/tests/files/test_liquid/targets/Liquid/dms.xml
+src/tests/test.job
+studies/003d_evaluator_liquid_bromine/smirnoff_parameter_assignments.json

From b794c1b01c94fa5efe984be1c81142ba4f68e097 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Fri, 27 Feb 2026 09:23:55 +1100
Subject: [PATCH 30/76] try making evaluator test more robust

---
 src/tests/test_system.py | 16 +++++++++++++---
 1 file changed, 13 insertions(+), 3 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index a296757b9..dd6bf88c6 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -194,12 +194,22 @@ def setup_method(self, method):
         targets.extractall()
         targets.close()
         ## Start the estimator server.
-        import subprocess, time
+        import subprocess, socket, time
         self.estimator_process = subprocess.Popen([
             "python", "run_server.py", "-ngpus=0", "-ncpus=1"
         ], stdout=subprocess.PIPE, stderr=subprocess.PIPE)
-        ## Give the server time to start.
-        time.sleep(5)
+        ## Poll until the server is accepting connections (or timeout after 120s).
+        server_port = 8000
+        deadline = time.time() + 120
+        while time.time() < deadline:
+            try:
+                with socket.create_connection(('localhost', server_port), timeout=1):
+                    break
+            except (ConnectionRefusedError, OSError):
+                time.sleep(1)
+        else:
+            self.estimator_process.terminate()
+            pytest.fail("Evaluator server did not start within 120 seconds")
         self.input_file='gradient.in'
         self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
 

From ba45a742313d28ad200bc686f85743acd5df482f Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Fri, 27 Feb 2026 11:27:39 +1100
Subject: [PATCH 31/76] add diagnostic log

---
 src/tests/test_system.py | 21 +++++++++++++++++----
 1 file changed, 17 insertions(+), 4 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index dd6bf88c6..41ec2322a 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -193,15 +193,26 @@ def setup_method(self, method):
         targets = tarfile.open('targets.tar.gz','r')
         targets.extractall()
         targets.close()
-        ## Start the estimator server.
+        ## Start the estimator server, redirecting output to a log file to
+        ## avoid filling the OS pipe buffer (which would deadlock the server
+        ## when Dask workers inherit and write to the same pipe fd).
         import subprocess, socket, time
-        self.estimator_process = subprocess.Popen([
-            "python", "run_server.py", "-ngpus=0", "-ncpus=1"
-        ], stdout=subprocess.PIPE, stderr=subprocess.PIPE)
+        self._server_log = open("server.log", "w")
+        self.estimator_process = subprocess.Popen(
+            ["python", "run_server.py", "-ngpus=0", "-ncpus=1"],
+            stdout=self._server_log, stderr=self._server_log,
+        )
         ## Poll until the server is accepting connections (or timeout after 120s).
         server_port = 8000
         deadline = time.time() + 120
         while time.time() < deadline:
+            if self.estimator_process.poll() is not None:
+                self._server_log.flush()
+                log_contents = open("server.log").read()
+                pytest.fail(
+                    "Evaluator server process exited prematurely (rc=%d). Log:\n%s"
+                    % (self.estimator_process.returncode, log_contents[-2000:])
+                )
             try:
                 with socket.create_connection(('localhost', server_port), timeout=1):
                     break
@@ -210,6 +221,8 @@ def setup_method(self, method):
         else:
             self.estimator_process.terminate()
             pytest.fail("Evaluator server did not start within 120 seconds")
+        ## Give the server a moment to fully initialise after the port opens.
+        time.sleep(2)
         self.input_file='gradient.in'
         self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
 

From 5db7e8435c6a9daf3a9f6bae55be55b6c3e97a5a Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Fri, 27 Feb 2026 14:52:12 +1100
Subject: [PATCH 32/76] more diagnostics

---
 src/tests/test_system.py | 32 +++++++++++++++++++-------------
 1 file changed, 19 insertions(+), 13 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 41ec2322a..c1de73e90 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -193,17 +193,22 @@ def setup_method(self, method):
         targets = tarfile.open('targets.tar.gz','r')
         targets.extractall()
         targets.close()
-        ## Start the estimator server, redirecting output to a log file to
-        ## avoid filling the OS pipe buffer (which would deadlock the server
-        ## when Dask workers inherit and write to the same pipe fd).
-        import subprocess, socket, time
+        ## Start the estimator server.
+        ## - Redirect output to a log file (not PIPE) so Dask worker subprocesses
+        ##   that inherit the fd don't fill the pipe buffer and deadlock.
+        ## - Use 'python -u' so each log line is flushed immediately to disk.
+        import subprocess, time
         self._server_log = open("server.log", "w")
         self.estimator_process = subprocess.Popen(
-            ["python", "run_server.py", "-ngpus=0", "-ncpus=1"],
+            ["python", "-u", "run_server.py", "-ngpus=0", "-ncpus=1"],
             stdout=self._server_log, stderr=self._server_log,
         )
-        ## Poll until the server is accepting connections (or timeout after 120s).
+        ## Wait for the server to log that it is ready.  We intentionally avoid
+        ## making a raw TCP probe: a bare connect+disconnect causes recvall() in
+        ## _handle_stream to return None, which crashes struct.unpack and kills
+        ## the _handle_connections loop because the except is outside the while.
         server_port = 8000
+        ready_marker = "listening at port {}".format(server_port)
         deadline = time.time() + 120
         while time.time() < deadline:
             if self.estimator_process.poll() is not None:
@@ -213,16 +218,17 @@ def setup_method(self, method):
                     "Evaluator server process exited prematurely (rc=%d). Log:\n%s"
                     % (self.estimator_process.returncode, log_contents[-2000:])
                 )
-            try:
-                with socket.create_connection(('localhost', server_port), timeout=1):
+            with open("server.log") as f:
+                if ready_marker in f.read():
                     break
-            except (ConnectionRefusedError, OSError):
-                time.sleep(1)
+            time.sleep(0.5)
         else:
             self.estimator_process.terminate()
-            pytest.fail("Evaluator server did not start within 120 seconds")
-        ## Give the server a moment to fully initialise after the port opens.
-        time.sleep(2)
+            log_contents = open("server.log").read()
+            pytest.fail(
+                "Evaluator server did not start within 120 seconds. Log:\n%s"
+                % log_contents[-2000:]
+            )
         self.input_file='gradient.in'
         self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
 

From d7c3f426a40fb78b4606d6b1e08dcb58c0e1372f Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Fri, 27 Feb 2026 16:23:09 +1100
Subject: [PATCH 33/76] pin setuptools if py<3.11

---
 .github/workflows/ci.yml | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 697c62fb0..9382c3a5d 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -44,6 +44,11 @@ jobs:
         environment-file: devtools/conda-envs/test_env.yaml
         create-args: >- # beware the >- instead of |, we don't split on newlines but on spaces
           python=${{ matrix.python-version }}
+
+    - name: Pin setuptools for Python < 3.10
+      if: matrix.python-version == '3.9' || matrix.python-version == '3.10'
+      shell: bash -l {0}
+      run: pip install "setuptools<82"
           
     - name: Additional info about the build
       shell: bash

From b5feb5e259289af573a75397ece3fc5fc8181cef Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Fri, 27 Feb 2026 16:59:34 +1100
Subject: [PATCH 34/76] fix evaluator test: bypass _Multiprocessor fork-safety
 deadlock

_Multiprocessor.run() uses multiprocessing.Manager() + Process() to
run each calculation task in a subprocess. When called from the Dask
worker thread pool (which runs Tornado's async event loop), fork() on
Python 3.9/3.10 inherits locked mutexes from sibling threads and
deadlocks. The server then crashes after accepting the first job
submission, causing ConnectionRefusedError on the next client poll.

Setting openff.evaluator._called_from_test = True in run_server.py
activates the existing bypass path in _Multiprocessor.run() that
calls the function directly in the current thread instead of spawning
a subprocess. This is the mechanism the evaluator itself uses for CI.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
---
 studies/003d_evaluator_liquid_bromine/run_server.py | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/studies/003d_evaluator_liquid_bromine/run_server.py b/studies/003d_evaluator_liquid_bromine/run_server.py
index 2feb7a821..b6d2a2998 100644
--- a/studies/003d_evaluator_liquid_bromine/run_server.py
+++ b/studies/003d_evaluator_liquid_bromine/run_server.py
@@ -2,6 +2,15 @@
 import shutil
 from os import path
 
+# Setting this attribute bypasses multiprocessing.Manager() +
+# multiprocessing.Process() in _Multiprocessor.run() (backends/dask.py).
+# Without it, forking from the multi-threaded Dask/Tornado process
+# deadlocks on Python 3.9/3.10 due to fork-safety issues (locked mutexes
+# inherited by the child process). With it, tasks run directly in the
+# Dask worker thread instead of being dispatched to a subprocess.
+import openff.evaluator
+openff.evaluator._called_from_test = True
+
 from openff.evaluator.backends import ComputeResources
 from openff.evaluator.backends.dask import DaskLocalCluster
 from openff.evaluator.server import EvaluatorServer

From 000b73f2da63174c24b73ed3d18bf64ee047da03 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Sat, 28 Feb 2026 22:07:47 +1100
Subject: [PATCH 35/76] use spawn

---
 studies/003d_evaluator_liquid_bromine/run_server.py | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/studies/003d_evaluator_liquid_bromine/run_server.py b/studies/003d_evaluator_liquid_bromine/run_server.py
index b6d2a2998..0f7a2e690 100644
--- a/studies/003d_evaluator_liquid_bromine/run_server.py
+++ b/studies/003d_evaluator_liquid_bromine/run_server.py
@@ -1,4 +1,13 @@
 #!/usr/bin/env python3
+import multiprocessing
+
+# Use "spawn" instead of the Linux default "fork". When forking from the
+# multi-threaded Dask/Tornado process, child processes inherit locked mutexes
+# from sibling threads and deadlock immediately. "spawn" starts a fresh
+# interpreter with no inherited thread state, avoiding the deadlock entirely.
+# This is the primary fix for Python 3.9 / older openff-evaluator versions.
+multiprocessing.set_start_method("spawn", force=True)
+
 import shutil
 from os import path
 

From 8fe31078b5cff983f66a9900cd58e70862b1096c Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Sat, 28 Feb 2026 22:07:54 +1100
Subject: [PATCH 36/76] more diagnostics

---
 src/tests/test_system.py | 10 +++++++++-
 1 file changed, 9 insertions(+), 1 deletion(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index c1de73e90..8813357d4 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -253,7 +253,15 @@ def teardown_method(self):
     def test_bromine_study(self):
         """Check bromine study produces objective function and gradient in expected range """
         objective = self.get_objective()
-        data      = objective.Full(np.zeros(objective.FF.np),1,verbose=True)
+        try:
+            data = objective.Full(np.zeros(objective.FF.np),1,verbose=True)
+        except Exception as exc:
+            self._server_log.flush()
+            log_contents = open("server.log").read()
+            raise RuntimeError(
+                "objective.Full raised %s: %s\nServer log (last 2000 chars):\n%s"
+                % (type(exc).__name__, exc, log_contents[-2000:])
+            ) from exc
         X, G, H   = data['X'], data['G'], data['H']
         msgX="\nCalculated objective function is outside expected range.\n If this seems reasonable, update EXPECTED_EVALUATOR_BROMINE_OBJECTIVE in test_system.py with these values"
         np.testing.assert_allclose(EXPECTED_EVALUATOR_BROMINE_OBJECTIVE, X, atol=200, err_msg=msgX)

From a582e7adb56ff3d8f77115be775cc86899560895 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Sat, 28 Feb 2026 22:24:47 +1100
Subject: [PATCH 37/76] fix path

---
 src/tests/test_system.py | 11 ++++++-----
 1 file changed, 6 insertions(+), 5 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 8813357d4..22efb0add 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -198,7 +198,8 @@ def setup_method(self, method):
         ##   that inherit the fd don't fill the pipe buffer and deadlock.
         ## - Use 'python -u' so each log line is flushed immediately to disk.
         import subprocess, time
-        self._server_log = open("server.log", "w")
+        self._server_log_path = os.path.abspath("server.log")
+        self._server_log = open(self._server_log_path, "w")
         self.estimator_process = subprocess.Popen(
             ["python", "-u", "run_server.py", "-ngpus=0", "-ncpus=1"],
             stdout=self._server_log, stderr=self._server_log,
@@ -213,18 +214,18 @@ def setup_method(self, method):
         while time.time() < deadline:
             if self.estimator_process.poll() is not None:
                 self._server_log.flush()
-                log_contents = open("server.log").read()
+                log_contents = open(self._server_log_path).read()
                 pytest.fail(
                     "Evaluator server process exited prematurely (rc=%d). Log:\n%s"
                     % (self.estimator_process.returncode, log_contents[-2000:])
                 )
-            with open("server.log") as f:
+            with open(self._server_log_path) as f:
                 if ready_marker in f.read():
                     break
             time.sleep(0.5)
         else:
             self.estimator_process.terminate()
-            log_contents = open("server.log").read()
+            log_contents = open(self._server_log_path).read()
             pytest.fail(
                 "Evaluator server did not start within 120 seconds. Log:\n%s"
                 % log_contents[-2000:]
@@ -257,7 +258,7 @@ def test_bromine_study(self):
             data = objective.Full(np.zeros(objective.FF.np),1,verbose=True)
         except Exception as exc:
             self._server_log.flush()
-            log_contents = open("server.log").read()
+            log_contents = open(self._server_log_path).read()
             raise RuntimeError(
                 "objective.Full raised %s: %s\nServer log (last 2000 chars):\n%s"
                 % (type(exc).__name__, exc, log_contents[-2000:])

From ab34285c7e23513eeed0f6caccdc3f719eddfaa4 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Sat, 28 Feb 2026 23:01:24 +1100
Subject: [PATCH 38/76] update evaluator version

---
 devtools/conda-envs/test_env.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index 40f849a93..a2a945eac 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -24,7 +24,7 @@ dependencies:
   - geometric
   # - gromacs =2019.1
   - openff-toolkit >=0.11.3
-  # - openff-evaluator >= 0.4.1
+  # - openff-evaluator-base >= 0.4.5
   # - openff-recharge
   # - openeye-toolkits (Don't have a license file to use with GH Actions.)
   - pint <0.25

From f174c383246b2898d678e0bf3a30192730a7f06f Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Sun, 1 Mar 2026 15:47:35 +1100
Subject: [PATCH 39/76] work around ambertools not being available on python
 3.9

---
 .github/workflows/ci.yml        |  6 ++++++
 src/tests/test_smirnoff_hack.py |  4 ++++
 src/tests/test_system.py        | 11 ++++++++++-
 3 files changed, 20 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 9382c3a5d..50dafb73f 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -49,6 +49,12 @@ jobs:
       if: matrix.python-version == '3.9' || matrix.python-version == '3.10'
       shell: bash -l {0}
       run: pip install "setuptools<82"
+
+    - name: Install ambertools for Python > 3.9
+      # AmberTools is not available for Python 3.9, so we install it separately for Python 3.10 and above
+      if: matrix.python-version != '3.9'
+      shell: bash -l {0}
+      run: mamba install -c conda-forge ambertools
           
     - name: Additional info about the build
       shell: bash
diff --git a/src/tests/test_smirnoff_hack.py b/src/tests/test_smirnoff_hack.py
index d7b5352a1..4202b0e58 100644
--- a/src/tests/test_smirnoff_hack.py
+++ b/src/tests/test_smirnoff_hack.py
@@ -1,3 +1,4 @@
+import sys
 import pytest
 
 has_openff_toolkit = True
@@ -6,7 +7,10 @@
 except ModuleNotFoundError:
     has_openff_toolkit = False
 
+from .test_system import skip_openff_py39
 
+
+@skip_openff_py39
 @pytest.mark.skipif(
     not has_openff_toolkit, reason="openff.toolkit module not found"
 )
diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 22efb0add..00bced14c 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -2,7 +2,7 @@
 
 from builtins import str
 import os, shutil
-import socket
+import sys
 import tarfile
 from .__init__ import ForceBalanceTestCase, check_for_openmm
 from forcebalance.parser import parse_inputs
@@ -13,6 +13,11 @@
 import numpy as np
 import pytest
 
+skip_openff_py39 = pytest.mark.skipif(
+    sys.version_info < (3, 10),
+    reason="openff packages require ambertools which requires Python >= 3.10",
+)
+
 # expected results (mvals) taken from previous runs. Update this if it changes and seems reasonable (updated 10/24/13)
 #EXPECTED_WATER_RESULTS = array([3.3192e-02, 4.3287e-02, 5.5072e-03, -4.5933e-02, 1.5499e-02, -3.7655e-01, 2.4720e-03, 1.1914e-02, 1.5066e-01])
 EXPECTED_WATER_RESULTS = array([4.2370e-02, 3.1217e-02, 5.6925e-03, -4.8114e-02, 1.6735e-02, -4.1722e-01, 6.2716e-03, 4.6306e-03, 2.5960e-01])
@@ -182,6 +187,8 @@ def test_thermo_bromine_study(self):
         """Check liquid bromine study (Thermo target) converges to expected results"""
         self.run_optimizer()
 
+
+@skip_openff_py39
 class TestEvaluatorBromineStudy(ForceBalanceSystemTest):
     def setup_method(self, method):
         pytest.importorskip("openff.evaluator")
@@ -300,6 +307,7 @@ def test_implicit_solvent_hfe_study(self):
         """Check implicit hydration free energy study (Hydration target) converges to expected results"""
         self.run_optimizer(check_result=False, check_iter=False, use_pvals=True)
 
+@skip_openff_py39
 class TestOpenFFTorsionProfileStudy(ForceBalanceSystemTest):
     def setup_method(self, method):
         pytest.importorskip("openff.toolkit", minversion="0.4")
@@ -320,6 +328,7 @@ def test_openff_torsionprofile_study(self):
         """Check OpenFF torsion profile optimization converges to expected results"""
         self.run_optimizer(check_iter=False)
 
+@skip_openff_py39
 class TestRechargeMethaneStudy(ForceBalanceSystemTest):
 
     def setup_method(self, method):

From ed807d9ebdf5b3dfc1bebf13d17fdf592abc17b7 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Sun, 1 Mar 2026 16:35:50 +1100
Subject: [PATCH 40/76] oops, use micromamba

---
 .github/workflows/ci.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 50dafb73f..063f292b9 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -54,7 +54,7 @@ jobs:
       # AmberTools is not available for Python 3.9, so we install it separately for Python 3.10 and above
       if: matrix.python-version != '3.9'
       shell: bash -l {0}
-      run: mamba install -c conda-forge ambertools
+      run: micromamba install -c conda-forge ambertools
           
     - name: Additional info about the build
       shell: bash

From 689f59d3a69c61a754bc731ed1cd8133a1c01993 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Mon, 2 Mar 2026 07:00:53 +1100
Subject: [PATCH 41/76] remove ambertools

---
 devtools/conda-envs/test_env.yaml | 1 -
 1 file changed, 1 deletion(-)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index a2a945eac..30160f7fe 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -19,7 +19,6 @@ dependencies:
   - future
   - pymbar =3
   - openmm >= 8
-  - ambertools
   - ndcctools
   - geometric
   # - gromacs =2019.1

From f2156b7e6a87bafc5023e3e79224e3905fbe716c Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Mon, 2 Mar 2026 07:16:16 +1100
Subject: [PATCH 42/76] add rdkit

---
 devtools/conda-envs/test_env.yaml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index 30160f7fe..4766b2687 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -21,6 +21,7 @@ dependencies:
   - openmm >= 8
   - ndcctools
   - geometric
+  - rdkit # needed for openff toolkit
   # - gromacs =2019.1
   - openff-toolkit >=0.11.3
   # - openff-evaluator-base >= 0.4.5

From 9bfd7255760f89d8b1aa30ef8d35ff94788831ac Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Mon, 2 Mar 2026 07:43:04 +1100
Subject: [PATCH 43/76] pin below 2025.09?

---
 devtools/conda-envs/test_env.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index 4766b2687..758961a71 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -21,7 +21,7 @@ dependencies:
   - openmm >= 8
   - ndcctools
   - geometric
-  - rdkit # needed for openff toolkit
+  - rdkit!=2024.03.6,<2025.09
   # - gromacs =2019.1
   - openff-toolkit >=0.11.3
   # - openff-evaluator-base >= 0.4.5

From d95bcb74531ee0572e7e20a1f82ad91298bc0c19 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Mon, 2 Mar 2026 08:17:48 +1100
Subject: [PATCH 44/76] give up; separate env files

---
 .github/workflows/ci.yml               |  9 ++------
 devtools/conda-envs/test_env.yaml      |  2 +-
 devtools/conda-envs/test_env_py39.yaml | 30 ++++++++++++++++++++++++++
 3 files changed, 33 insertions(+), 8 deletions(-)
 create mode 100644 devtools/conda-envs/test_env_py39.yaml

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 063f292b9..5526707ae 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -41,7 +41,8 @@ jobs:
     - name: Set up conda environment
       uses: mamba-org/setup-micromamba@v1
       with:
-        environment-file: devtools/conda-envs/test_env.yaml
+        # ambertools has no Python 3.9 builds; use a separate env file for 3.9
+        environment-file: ${{ matrix.python-version == '3.9' && 'devtools/conda-envs/test_env_py39.yaml' || 'devtools/conda-envs/test_env.yaml' }}
         create-args: >- # beware the >- instead of |, we don't split on newlines but on spaces
           python=${{ matrix.python-version }}
 
@@ -49,12 +50,6 @@ jobs:
       if: matrix.python-version == '3.9' || matrix.python-version == '3.10'
       shell: bash -l {0}
       run: pip install "setuptools<82"
-
-    - name: Install ambertools for Python > 3.9
-      # AmberTools is not available for Python 3.9, so we install it separately for Python 3.10 and above
-      if: matrix.python-version != '3.9'
-      shell: bash -l {0}
-      run: micromamba install -c conda-forge ambertools
           
     - name: Additional info about the build
       shell: bash
diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index 758961a71..a2a945eac 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -19,9 +19,9 @@ dependencies:
   - future
   - pymbar =3
   - openmm >= 8
+  - ambertools
   - ndcctools
   - geometric
-  - rdkit!=2024.03.6,<2025.09
   # - gromacs =2019.1
   - openff-toolkit >=0.11.3
   # - openff-evaluator-base >= 0.4.5
diff --git a/devtools/conda-envs/test_env_py39.yaml b/devtools/conda-envs/test_env_py39.yaml
new file mode 100644
index 000000000..6b2f69c73
--- /dev/null
+++ b/devtools/conda-envs/test_env_py39.yaml
@@ -0,0 +1,30 @@
+name: forcebalance-test
+channels:
+  - conda-forge
+  - openeye
+dependencies:
+    # Base depends
+  - python
+  - pip
+    # Testing
+  - pytest
+  - pytest-cov
+  - codecov
+  - numpy
+  - scipy
+  - lxml
+  - networkx
+  - zlib
+  - swig
+  - future
+  - pymbar =3
+  - openmm >= 8
+  # ambertools has no Python 3.9 builds on conda-forge
+  - ndcctools
+  - geometric
+  # - gromacs =2019.1
+  # openff packages require Python >= 3.10; tests are skipped on 3.9
+  # - openff-toolkit-base
+  # - openff-evaluator-base
+  # - openff-recharge
+  # - openeye-toolkits (Don't have a license file to use with GH Actions.)

From 44db40125fb697a5d4ceeefd0eaaff0ac35efaef Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 20:56:17 +1100
Subject: [PATCH 45/76] this has to move in lockstep with evaluator

---
 devtools/conda-envs/test_env.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index a2a945eac..4ccb76f11 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -46,4 +46,4 @@ dependencies:
 
   - pip:
     # install branch of evaluator
-    - git+https://github.com/openforcefield/openff-evaluator.git@fix-vsite-fits
\ No newline at end of file
+    - git+https://github.com/openforcefield/openff-evaluator.git@fix-vsite-fits

From ed766185db280520e6faaed991ba569d9cd53c24 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Wed, 25 Feb 2026 23:39:04 +1100
Subject: [PATCH 46/76] widen tolerance of evaluator test and wait for server

---
 src/tests/test_system.py | 18 ++++++++++++++++++
 1 file changed, 18 insertions(+)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 00bced14c..41d656233 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -240,6 +240,24 @@ def setup_method(self, method):
         self.input_file='gradient.in'
         self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
 
+    def _wait_for_server_startup(self, timeout=60):
+        import time
+        start = time.time()
+        while time.time() - start < timeout:
+            # If process exited, surface logs for easier diagnosis.
+            if self.estimator_process.poll() is not None:
+                out, err = self.estimator_process.communicate()
+                raise RuntimeError(
+                    "Evaluator server exited during startup.\nstdout:\n%s\nstderr:\n%s"
+                    % (out.decode('utf-8', errors='replace'), err.decode('utf-8', errors='replace'))
+                )
+            try:
+                with socket.create_connection(("127.0.0.1", 8000), timeout=1):
+                    return
+            except OSError:
+                time.sleep(1)
+        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8000")
+
     def teardown_method(self):
         try:
             if hasattr(self, 'estimator_process') and self.estimator_process is not None:

From cb95c390fecbe7580d41803633ddd0ae852ed7ad Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 06:06:59 +1100
Subject: [PATCH 47/76] undo fancy wait method

---
 src/tests/test_system.py | 18 ------------------
 1 file changed, 18 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 41d656233..00bced14c 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -240,24 +240,6 @@ def setup_method(self, method):
         self.input_file='gradient.in'
         self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
 
-    def _wait_for_server_startup(self, timeout=60):
-        import time
-        start = time.time()
-        while time.time() - start < timeout:
-            # If process exited, surface logs for easier diagnosis.
-            if self.estimator_process.poll() is not None:
-                out, err = self.estimator_process.communicate()
-                raise RuntimeError(
-                    "Evaluator server exited during startup.\nstdout:\n%s\nstderr:\n%s"
-                    % (out.decode('utf-8', errors='replace'), err.decode('utf-8', errors='replace'))
-                )
-            try:
-                with socket.create_connection(("127.0.0.1", 8000), timeout=1):
-                    return
-            except OSError:
-                time.sleep(1)
-        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8000")
-
     def teardown_method(self):
         try:
             if hasattr(self, 'estimator_process') and self.estimator_process is not None:

From 34daa2313c56d10622435a1a28a619d2252fae61 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 07:48:02 +1100
Subject: [PATCH 48/76] monitor server and change port

---
 src/tests/test_system.py                      |  16 ++++++++++++++++
 .../targets.tar.gz                            | Bin 5695 -> 5697 bytes
 2 files changed, 16 insertions(+)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 00bced14c..fdfda81fc 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -240,6 +240,22 @@ def setup_method(self, method):
         self.input_file='gradient.in'
         self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
 
+    def _wait_for_server_startup(self, timeout=60):
+        import time
+        start = time.time()
+        while time.time() - start < timeout:
+            if self.estimator_process.poll() is not None:
+                raise RuntimeError(
+                    "Evaluator server exited during startup with return code %s"
+                    % self.estimator_process.returncode
+                )
+            try:
+                with socket.create_connection(("127.0.0.1", 8000), timeout=1):
+                    return
+            except OSError:
+                time.sleep(1)
+        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8000")
+
     def teardown_method(self):
         try:
             if hasattr(self, 'estimator_process') and self.estimator_process is not None:
diff --git a/studies/003d_evaluator_liquid_bromine/targets.tar.gz b/studies/003d_evaluator_liquid_bromine/targets.tar.gz
index e453d6398eadfa9e6307fd6b78ba28b88015441b..c051103df3e197f0d4732508eded2b31634c4a98 100644
GIT binary patch
delta 4708
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From db21dc9a343b0ae8bdeefa1b48290022a3fb6215 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 07:55:41 +1100
Subject: [PATCH 49/76] fix port

---
 src/tests/test_system.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index fdfda81fc..da3492042 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -250,11 +250,11 @@ def _wait_for_server_startup(self, timeout=60):
                     % self.estimator_process.returncode
                 )
             try:
-                with socket.create_connection(("127.0.0.1", 8000), timeout=1):
+                with socket.create_connection(("127.0.0.1", 8012), timeout=1):
                     return
             except OSError:
                 time.sleep(1)
-        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8000")
+        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8012")
 
     def teardown_method(self):
         try:

From 45b8e453c6163d7c9946e5cde50da856159a78e1 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 08:09:06 +1100
Subject: [PATCH 50/76] Revert "fix port"

This reverts commit 9abf6761e6bc7d8ff05e354819c5c6993b67341a.
---
 src/tests/test_system.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index da3492042..fdfda81fc 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -250,11 +250,11 @@ def _wait_for_server_startup(self, timeout=60):
                     % self.estimator_process.returncode
                 )
             try:
-                with socket.create_connection(("127.0.0.1", 8012), timeout=1):
+                with socket.create_connection(("127.0.0.1", 8000), timeout=1):
                     return
             except OSError:
                 time.sleep(1)
-        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8012")
+        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8000")
 
     def teardown_method(self):
         try:

From 471b4030df76b0b02f6a325824dbf13a130a1fe1 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 26 Feb 2026 08:09:11 +1100
Subject: [PATCH 51/76] Revert "monitor server and change port"

This reverts commit 0d527b4eb9ab18a24d714924e378cd78466d34ca.
---
 src/tests/test_system.py                      |  16 ----------------
 .../targets.tar.gz                            | Bin 5697 -> 5695 bytes
 2 files changed, 16 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index fdfda81fc..00bced14c 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -240,22 +240,6 @@ def setup_method(self, method):
         self.input_file='gradient.in'
         self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
 
-    def _wait_for_server_startup(self, timeout=60):
-        import time
-        start = time.time()
-        while time.time() - start < timeout:
-            if self.estimator_process.poll() is not None:
-                raise RuntimeError(
-                    "Evaluator server exited during startup with return code %s"
-                    % self.estimator_process.returncode
-                )
-            try:
-                with socket.create_connection(("127.0.0.1", 8000), timeout=1):
-                    return
-            except OSError:
-                time.sleep(1)
-        raise RuntimeError("Timed out waiting for Evaluator server on 127.0.0.1:8000")
-
     def teardown_method(self):
         try:
             if hasattr(self, 'estimator_process') and self.estimator_process is not None:
diff --git a/studies/003d_evaluator_liquid_bromine/targets.tar.gz b/studies/003d_evaluator_liquid_bromine/targets.tar.gz
index c051103df3e197f0d4732508eded2b31634c4a98..e453d6398eadfa9e6307fd6b78ba28b88015441b 100644
GIT binary patch
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From ed5840b5b7f301a160787c3fc1cd768068a3a0a0 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Mon, 2 Mar 2026 16:37:16 +1100
Subject: [PATCH 52/76] draft new test

---
 src/tests/test_system.py | 84 ++++++++++++++++++++++++++++++++++++++++
 1 file changed, 84 insertions(+)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 00bced14c..eb681b8c7 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -31,6 +31,12 @@
 # expected gradient elements from 003d evaluator bromine study. Very large uncertainties of +/- 2000 (updated 11/23/19)
 EXPECTED_EVALUATOR_BROMINE_GRADIENT = array([4500, 5500])
 
+# expected objective function from 028 evaluator water vsite study. Update after first run.
+EXPECTED_EVALUATOR_WATER_VSITE_OBJECTIVE = array([0])
+
+# expected gradient elements from 028 evaluator water vsite study (3 vsite params). Update after first run.
+EXPECTED_EVALUATOR_WATER_VSITE_GRADIENT = array([0, 0, 0])
+
 # expected result (pvals) taken from ethanol GB parameter optimization. Update this if it changes and seems reasonable (updated 09/05/14)
 EXPECTED_ETHANOL_RESULTS = array([1.2286e-01, 8.3624e-01, 1.0014e-01, 8.4533e-01, 1.8740e-01, 6.8820e-01, 1.4606e-01, 8.3518e-01])
 
@@ -384,3 +390,81 @@ def test_study(self):
             rtol=5.0e-7,
             err_msg=msgG
         )
+
+@skip_openff_py39
+class TestEvaluatorWaterVSiteStudy(ForceBalanceSystemTest):
+    def setup_method(self, method):
+        pytest.importorskip("openff.evaluator")
+        pytest.importorskip("openff.toolkit")
+        super(TestEvaluatorWaterVSiteStudy, self).setup_method(method)
+        cwd = os.path.dirname(os.path.realpath(__file__))
+        os.chdir(os.path.join(cwd, '..', '..', 'studies', '028_smirnoff_tip4p_geometry_fit'))
+        self.study_directory = os.getcwd()
+        ## Start the estimator server.
+        ## - Redirect output to a log file (not PIPE) so Dask worker subprocesses
+        ##   that inherit the fd don't fill the pipe buffer and deadlock.
+        ## - Use 'python -u' so each log line is flushed immediately to disk.
+        import subprocess, time
+        self._server_log_path = os.path.abspath("server.log")
+        self._server_log = open(self._server_log_path, "w")
+        self.estimator_process = subprocess.Popen(
+            ["python", "-u", "run_server.py", "-ngpus=0", "-ncpus=1"],
+            stdout=self._server_log, stderr=self._server_log,
+        )
+        ## Wait for the server to log that it is ready.
+        server_port = 8000
+        ready_marker = "listening at port {}".format(server_port)
+        deadline = time.time() + 120
+        while time.time() < deadline:
+            if self.estimator_process.poll() is not None:
+                self._server_log.flush()
+                log_contents = open(self._server_log_path).read()
+                pytest.fail(
+                    "Evaluator server process exited prematurely (rc=%d). Log:\n%s"
+                    % (self.estimator_process.returncode, log_contents[-2000:])
+                )
+            with open(self._server_log_path) as f:
+                if ready_marker in f.read():
+                    break
+            time.sleep(0.5)
+        else:
+            self.estimator_process.terminate()
+            log_contents = open(self._server_log_path).read()
+            pytest.fail(
+                "Evaluator server did not start within 120 seconds. Log:\n%s"
+                % log_contents[-2000:]
+            )
+        self.input_file = 'optimize.in'
+        self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
+
+    def teardown_method(self):
+        self.estimator_process.terminate()
+        self._server_log.close()
+        if os.path.exists(self._server_log_path):
+            os.remove(self._server_log_path)
+        for dnm in ["working_directory", "stored_data"]:
+            if os.path.exists(dnm):
+                shutil.rmtree(dnm)
+        super(TestEvaluatorWaterVSiteStudy, self).teardown_method()
+
+    def test_water_vsite_study(self):
+        """Check water virtual site study produces objective function and gradient in expected range"""
+        objective = self.get_objective()
+        try:
+            data = objective.Full(np.zeros(objective.FF.np), 1, verbose=True)
+        except Exception as exc:
+            self._server_log.flush()
+            log_contents = open(self._server_log_path).read()
+            raise RuntimeError(
+                "objective.Full raised %s: %s\nServer log (last 2000 chars):\n%s"
+                % (type(exc).__name__, exc, log_contents[-2000:])
+            ) from exc
+        X, G, H = data['X'], data['G'], data['H']
+        msgX = ("\nCalculated objective function is outside expected range.\n"
+                " If this seems reasonable, update EXPECTED_EVALUATOR_WATER_VSITE_OBJECTIVE"
+                " in test_system.py with these values")
+        np.testing.assert_allclose(EXPECTED_EVALUATOR_WATER_VSITE_OBJECTIVE, X, atol=1e6, err_msg=msgX)
+        msgG = ("\nCalculated gradient is outside expected range.\n"
+                " If this seems reasonable, update EXPECTED_EVALUATOR_WATER_VSITE_GRADIENT"
+                " in test_system.py with these values")
+        np.testing.assert_allclose(EXPECTED_EVALUATOR_WATER_VSITE_GRADIENT, G, atol=1e6, err_msg=msgG)

From c79515a8873459458117f5680d07778952790af7 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Mon, 2 Mar 2026 16:38:39 +1100
Subject: [PATCH 53/76] fix parameter eval

---
 src/forcefield.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/forcefield.py b/src/forcefield.py
index 48742086f..269b123aa 100644
--- a/src/forcefield.py
+++ b/src/forcefield.py
@@ -747,7 +747,7 @@ def addff_xml(self, ffname):
                 res = re.search(r'^[-+]?[0-9]*\.?[0-9]*([eEdD][-+]?[0-9]+)?', quantity_str)
                 value_str, unit_str = quantity_str[:res.end()], quantity_str[res.end():]
                 # LPW 2023-01-23: Behavior of parameter unit string for "evaluated" parameter is undefined.
-                unit_str = ""
+                # unit_str = ""
                 quantity_str = e.get(parameter_name)
                 self.offxml_unit_strs[dest] = unit_str
 

From 02ccda09d707d5ebdc51ef272f895204f32592f4 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Mon, 2 Mar 2026 17:12:23 +1100
Subject: [PATCH 54/76] update import

---
 src/smirnoffio.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/smirnoffio.py b/src/smirnoffio.py
index aaa9d02dc..4101b8c08 100644
--- a/src/smirnoffio.py
+++ b/src/smirnoffio.py
@@ -33,7 +33,7 @@
 from forcebalance.nifty import _exec
 from collections import OrderedDict, defaultdict, Counter
 from forcebalance.output import getLogger
-from forcebalance.openmmio import OpenMM, UpdateSimulationParameters
+from forcebalance.openmmio import OpenMM, UpdateSimulationParameters, GetVirtualSiteParameters
 import json
 
 logger = getLogger(__name__)

From e70857c6ac25fbe1d20efb5442044e9dfe0124a7 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Mon, 2 Mar 2026 17:15:01 +1100
Subject: [PATCH 55/76] add initial test files

---
 .../forcefield/force-field.offxml             | 140 ++++++++++++++++++
 .../gradient.in                               |  53 +++++++
 .../optimize.in                               |  58 ++++++++
 .../run_server.py                             |  43 ++++++
 .../smirnoff_parameter_assignments.json       | 103 +++++++++++++
 .../2e965c84a1ee4b86aa97a00b81a66865.json     |   1 +
 .../stored_data/object_keys.json              |   1 +
 7 files changed, 399 insertions(+)
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/gradient.in
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/optimize.in
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/run_server.py
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/smirnoff_parameter_assignments.json
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/stored_data/2e965c84a1ee4b86aa97a00b81a66865.json
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/stored_data/object_keys.json

diff --git a/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml b/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml
new file mode 100644
index 000000000..d9b5b5746
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml
@@ -0,0 +1,140 @@
+<?xml version="1.0" encoding="utf-8"?>
+<SMIRNOFF version="0.3" aromaticity_model="OEAroModel_MDL">
+    <vdW version="0.4" potential="Lennard-Jones-12-6" combining_rules="Lorentz-Berthelot" scale12="0.0" scale13="0.0" scale14="0.5" scale15="1.0" cutoff="9.0 * angstrom ** 1" switch_width="1.0 * angstrom ** 1" periodic_method="cutoff" nonperiodic_method="no-cutoff">
+        <Atom smirks="[#1]-[#8X2H2+0:1]-[#1]" epsilon="0.7492790213533 * kilojoule_per_mole ** 1" id="n-tip4p-fb-O" sigma="0.3165552430462 * nanometer ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#8X2H2+0]-[#1]" epsilon="0.0 * kilocalorie_per_mole ** 1" id="n-tip4p-fb-H" sigma="1.0 * nanometer ** 1"></Atom>
+        <Atom smirks="[#3X0+1:1]" epsilon="0.00209587 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Li+" rmin_half="1.24 * angstrom ** 1"></Atom>
+        <Atom smirks="[#11X0+1:1]" epsilon="0.02499549 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Na+" rmin_half="1.448 * angstrom ** 1"></Atom>
+        <Atom smirks="[#19X0+1:1]" epsilon="0.1282327 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-K+" rmin_half="1.685 * angstrom ** 1"></Atom>
+        <Atom smirks="[#37X0+1:1]" epsilon="0.20907204 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Rb+" rmin_half="1.795 * angstrom ** 1"></Atom>
+        <Atom smirks="[#55X0+1:1]" epsilon="0.34401021 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cs+" rmin_half="1.95 * angstrom ** 1"></Atom>
+        <Atom smirks="[#81X0+1:1]" epsilon="0.11617738 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Tl+" rmin_half="1.666 * angstrom ** 1"></Atom>
+        <Atom smirks="[#29X0+1:1]" epsilon="0.00067804 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cu+" rmin_half="1.172 * angstrom ** 1"></Atom>
+        <Atom smirks="[#47X0+1:1]" epsilon="0.0058006 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ag+" rmin_half="1.313 * angstrom ** 1"></Atom>
+        <Atom smirks="[#9X0-1:1]" epsilon="0.25078 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-F-" rmin_half="1.845 * angstrom ** 1"></Atom>
+        <Atom smirks="[#17X0-1:1]" epsilon="0.64716164 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cl-" rmin_half="2.313 * angstrom ** 1"></Atom>
+        <Atom smirks="[#35X0-1:1]" epsilon="0.73554824 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Br-" rmin_half="2.454 * angstrom ** 1"></Atom>
+        <Atom smirks="[#53X0-1:1]" epsilon="0.87867445 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-I-" rmin_half="2.804 * angstrom ** 1"></Atom>
+        <Atom smirks="[#4X0+2:1]" epsilon="1.42e-06 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Be2+" rmin_half="0.924 * angstrom ** 1"></Atom>
+        <Atom smirks="[#29X0+2:1]" epsilon="0.00089969 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cu2+" rmin_half="1.181 * angstrom ** 1"></Atom>
+        <Atom smirks="[#28X0+2:1]" epsilon="0.00136949 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ni2+" rmin_half="1.213 * angstrom ** 1"></Atom>
+        <Atom smirks="[#78X0+2:1]" epsilon="0.00176831 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pt2+" rmin_half="1.229 * angstrom ** 1"></Atom>
+        <Atom smirks="[#30X0+2:1]" epsilon="0.00191142 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Zn2+" rmin_half="1.234 * angstrom ** 1"></Atom>
+        <Atom smirks="[#27X0+2:1]" epsilon="0.00359255 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Co2+" rmin_half="1.277 * angstrom ** 1"></Atom>
+        <Atom smirks="[#46X0+2:1]" epsilon="0.00384964 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pd2+" rmin_half="1.282 * angstrom ** 1"></Atom>
+        <Atom smirks="[#47X0+2:1]" epsilon="0.00602547 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ag2+" rmin_half="1.316 * angstrom ** 1"></Atom>
+        <Atom smirks="[#24X0+2:1]" epsilon="0.00691068 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cr2+" rmin_half="1.327 * angstrom ** 1"></Atom>
+        <Atom smirks="[#26X0+2:1]" epsilon="0.00752608 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Fe2+" rmin_half="1.334 * angstrom ** 1"></Atom>
+        <Atom smirks="[#12X0+2:1]" epsilon="0.00828195 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Mg2+" rmin_half="1.342 * angstrom ** 1"></Atom>
+        <Atom smirks="[#23X0+2:1]" epsilon="0.00858042 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-V2+" rmin_half="1.345 * angstrom ** 1"></Atom>
+        <Atom smirks="[#25X0+2:1]" epsilon="0.01476261 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Mn2+" rmin_half="1.394 * angstrom ** 1"></Atom>
+        <Atom smirks="[#80X0+2:1]" epsilon="0.01476261 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Hg2+" rmin_half="1.394 * angstrom ** 1"></Atom>
+        <Atom smirks="[#48X0+2:1]" epsilon="0.01538757 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cd2+" rmin_half="1.398 * angstrom ** 1"></Atom>
+        <Atom smirks="[#70X0+2:1]" epsilon="0.09019198 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Yb2+" rmin_half="1.621 * angstrom ** 1"></Atom>
+        <Atom smirks="[#20X0+2:1]" epsilon="0.09344247 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ca2+" rmin_half="1.627 * angstrom ** 1"></Atom>
+        <Atom smirks="[#50X0+2:1]" epsilon="0.10359269 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Sn2+" rmin_half="1.645 * angstrom ** 1"></Atom>
+        <Atom smirks="[#82X0+2:1]" epsilon="0.15773029 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pb2+" rmin_half="1.728 * angstrom ** 1"></Atom>
+        <Atom smirks="[#63X0+2:1]" epsilon="0.19865859 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Eu2+" rmin_half="1.782 * angstrom ** 1"></Atom>
+        <Atom smirks="[#38X0+2:1]" epsilon="0.20424131 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Sr2+" rmin_half="1.789 * angstrom ** 1"></Atom>
+        <Atom smirks="[#62X0+2:1]" epsilon="0.20988115 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Sm2+" rmin_half="1.796 * angstrom ** 1"></Atom>
+        <Atom smirks="[#56X0+2:1]" epsilon="0.38216886 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ba2+" rmin_half="1.992 * angstrom ** 1"></Atom>
+        <Atom smirks="[#88X0+2:1]" epsilon="0.38216886 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ra2+" rmin_half="1.992 * angstrom ** 1"></Atom>
+        <Atom smirks="[#13X0+3:1]" epsilon="0.00312065 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Al3+" rmin_half="1.267 * angstrom ** 1"></Atom>
+        <Atom smirks="[#26X0+3:1]" epsilon="0.01636246 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Fe3+" rmin_half="1.404 * angstrom ** 1"></Atom>
+        <Atom smirks="[#24X0+3:1]" epsilon="0.00858042 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cr3+" rmin_half="1.345 * angstrom ** 1"></Atom>
+        <Atom smirks="[#49X0+3:1]" epsilon="0.02387506 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-In3+" rmin_half="1.443 * angstrom ** 1"></Atom>
+        <Atom smirks="[#81X0+3:1]" epsilon="0.03537062 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Tl3+" rmin_half="1.488 * angstrom ** 1"></Atom>
+        <Atom smirks="[#39X0+3:1]" epsilon="0.07117158 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Y3+" rmin_half="1.583 * angstrom ** 1"></Atom>
+        <Atom smirks="[#57X0+3:1]" epsilon="0.1485017 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-La3+" rmin_half="1.715 * angstrom ** 1"></Atom>
+        <Atom smirks="[#58X0+3:1]" epsilon="0.16500296 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ce3+" rmin_half="1.738 * angstrom ** 1"></Atom>
+        <Atom smirks="[#59X0+3:1]" epsilon="0.1598965 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pr3+" rmin_half="1.731 * angstrom ** 1"></Atom>
+        <Atom smirks="[#60X0+3:1]" epsilon="0.12180998 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Nd3+" rmin_half="1.675 * angstrom ** 1"></Atom>
+        <Atom smirks="[#62X0+3:1]" epsilon="0.10651723 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Sm3+" rmin_half="1.65 * angstrom ** 1"></Atom>
+        <Atom smirks="[#63X0+3:1]" epsilon="0.11129023 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Eu3+" rmin_half="1.658 * angstrom ** 1"></Atom>
+        <Atom smirks="[#64X0+3:1]" epsilon="0.08337961 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Gd3+" rmin_half="1.608 * angstrom ** 1"></Atom>
+        <Atom smirks="[#65X0+3:1]" epsilon="0.08806221 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Tb3+" rmin_half="1.617 * angstrom ** 1"></Atom>
+        <Atom smirks="[#66X0+3:1]" epsilon="0.07543075 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Dy3+" rmin_half="1.592 * angstrom ** 1"></Atom>
+        <Atom smirks="[#68X0+3:1]" epsilon="0.07117158 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Er3+" rmin_half="1.583 * angstrom ** 1"></Atom>
+        <Atom smirks="[#69X0+3:1]" epsilon="0.07117158 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Tm3+" rmin_half="1.583 * angstrom ** 1"></Atom>
+        <Atom smirks="[#71X0+3:1]" epsilon="0.06397679 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Lu3+" rmin_half="1.567 * angstrom ** 1"></Atom>
+        <Atom smirks="[#72X0+4:1]" epsilon="0.02960343 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Hf4+" rmin_half="1.467 * angstrom ** 1"></Atom>
+        <Atom smirks="[#40X0+4:1]" epsilon="0.03745682 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Zr4+" rmin_half="1.495 * angstrom ** 1"></Atom>
+        <Atom smirks="[#58X0+4:1]" epsilon="0.13282966 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ce4+" rmin_half="1.692 * angstrom ** 1"></Atom>
+        <Atom smirks="[#92X0+4:1]" epsilon="0.13282966 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-U4+" rmin_half="1.692 * angstrom ** 1"></Atom>
+        <Atom smirks="[#94X0+4:1]" epsilon="0.11679623 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pu4+" rmin_half="1.667 * angstrom ** 1"></Atom>
+        <Atom smirks="[#90X0+4:1]" epsilon="0.14433113 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Th4+" rmin_half="1.709 * angstrom ** 1"></Atom>
+    </vdW>
+    <LibraryCharges version="0.3">
+        <LibraryCharge smirks="[#1]-[#8X2H2+0:1]-[#1]" charge1="0 * elementary_charge ** 1" id="q-tip4p-fb-O"></LibraryCharge>
+        <LibraryCharge smirks="[#1:1]-[#8X2H2+0]-[#1]" charge1="0 * elementary_charge ** 1" id="q-tip4p-fb-H"></LibraryCharge>
+        <LibraryCharge smirks="[#3X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Li+"></LibraryCharge>
+        <LibraryCharge smirks="[#11X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Na+"></LibraryCharge>
+        <LibraryCharge smirks="[#19X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-K+"></LibraryCharge>
+        <LibraryCharge smirks="[#37X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Rb+"></LibraryCharge>
+        <LibraryCharge smirks="[#55X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cs+"></LibraryCharge>
+        <LibraryCharge smirks="[#81X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Tl+"></LibraryCharge>
+        <LibraryCharge smirks="[#29X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cu+"></LibraryCharge>
+        <LibraryCharge smirks="[#47X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ag+"></LibraryCharge>
+        <LibraryCharge smirks="[#9X0-1:1]" charge1="-1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-F-"></LibraryCharge>
+        <LibraryCharge smirks="[#17X0-1:1]" charge1="-1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cl-"></LibraryCharge>
+        <LibraryCharge smirks="[#35X0-1:1]" charge1="-1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Br-"></LibraryCharge>
+        <LibraryCharge smirks="[#53X0-1:1]" charge1="-1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-I-"></LibraryCharge>
+        <LibraryCharge smirks="[#4X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Be2+"></LibraryCharge>
+        <LibraryCharge smirks="[#29X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cu2+"></LibraryCharge>
+        <LibraryCharge smirks="[#28X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ni2+"></LibraryCharge>
+        <LibraryCharge smirks="[#78X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pt2+"></LibraryCharge>
+        <LibraryCharge smirks="[#30X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Zn2+"></LibraryCharge>
+        <LibraryCharge smirks="[#27X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Co2+"></LibraryCharge>
+        <LibraryCharge smirks="[#46X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pd2+"></LibraryCharge>
+        <LibraryCharge smirks="[#47X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ag2+"></LibraryCharge>
+        <LibraryCharge smirks="[#24X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cr2+"></LibraryCharge>
+        <LibraryCharge smirks="[#26X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Fe2+"></LibraryCharge>
+        <LibraryCharge smirks="[#12X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Mg2+"></LibraryCharge>
+        <LibraryCharge smirks="[#23X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-V2+"></LibraryCharge>
+        <LibraryCharge smirks="[#25X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Mn2+"></LibraryCharge>
+        <LibraryCharge smirks="[#80X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Hg2+"></LibraryCharge>
+        <LibraryCharge smirks="[#48X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cd2+"></LibraryCharge>
+        <LibraryCharge smirks="[#70X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Yb2+"></LibraryCharge>
+        <LibraryCharge smirks="[#20X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ca2+"></LibraryCharge>
+        <LibraryCharge smirks="[#50X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Sn2+"></LibraryCharge>
+        <LibraryCharge smirks="[#82X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pb2+"></LibraryCharge>
+        <LibraryCharge smirks="[#63X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Eu2+"></LibraryCharge>
+        <LibraryCharge smirks="[#38X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Sr2+"></LibraryCharge>
+        <LibraryCharge smirks="[#62X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Sm2+"></LibraryCharge>
+        <LibraryCharge smirks="[#56X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ba2+"></LibraryCharge>
+        <LibraryCharge smirks="[#88X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ra2+"></LibraryCharge>
+        <LibraryCharge smirks="[#13X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Al3+"></LibraryCharge>
+        <LibraryCharge smirks="[#26X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Fe3+"></LibraryCharge>
+        <LibraryCharge smirks="[#24X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cr3+"></LibraryCharge>
+        <LibraryCharge smirks="[#49X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-In3+"></LibraryCharge>
+        <LibraryCharge smirks="[#81X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Tl3+"></LibraryCharge>
+        <LibraryCharge smirks="[#39X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Y3+"></LibraryCharge>
+        <LibraryCharge smirks="[#57X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-La3+"></LibraryCharge>
+        <LibraryCharge smirks="[#58X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ce3+"></LibraryCharge>
+        <LibraryCharge smirks="[#59X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pr3+"></LibraryCharge>
+        <LibraryCharge smirks="[#60X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Nd3+"></LibraryCharge>
+        <LibraryCharge smirks="[#62X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Sm3+"></LibraryCharge>
+        <LibraryCharge smirks="[#63X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Eu3+"></LibraryCharge>
+        <LibraryCharge smirks="[#64X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Gd3+"></LibraryCharge>
+        <LibraryCharge smirks="[#65X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Tb3+"></LibraryCharge>
+        <LibraryCharge smirks="[#66X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Dy3+"></LibraryCharge>
+        <LibraryCharge smirks="[#68X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Er3+"></LibraryCharge>
+        <LibraryCharge smirks="[#69X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Tm3+"></LibraryCharge>
+        <LibraryCharge smirks="[#71X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Lu3+"></LibraryCharge>
+        <LibraryCharge smirks="[#72X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Hf4+"></LibraryCharge>
+        <LibraryCharge smirks="[#40X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Zr4+"></LibraryCharge>
+        <LibraryCharge smirks="[#58X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ce4+"></LibraryCharge>
+        <LibraryCharge smirks="[#92X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-U4+"></LibraryCharge>
+        <LibraryCharge smirks="[#94X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pu4+"></LibraryCharge>
+        <LibraryCharge smirks="[#90X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Th4+"></LibraryCharge>
+    </LibraryCharges>
+    <Electrostatics version="0.4" scale12="0.0" scale13="0.0" scale14="0.8333333333" scale15="1.0" cutoff="9.0 * angstrom ** 1" switch_width="0.0 * angstrom ** 1" periodic_potential="Ewald3D-ConductingBoundary" nonperiodic_potential="Coulomb" exception_potential="Coulomb"></Electrostatics>
+    <Constraints version="0.3">
+        <Constraint smirks="[#1:1]-[#8X2H2+0:2]-[#1]" id="c-tip4p-fb-H-O" distance="0.09572 * nanometer ** 1"></Constraint>
+        <Constraint smirks="[#1:1]-[#8X2H2+0]-[#1:2]" id="c-tip4p-fb-H-O-H" distance="0.15139006545247014 * nanometer ** 1"></Constraint>
+    </Constraints>
+    <VirtualSites version="0.3" exclusion_policy="parents">
+        <VirtualSite smirks="[#1:2]-[#8X2H2+0:1]-[#1:3]" epsilon="0.0 * kilocalorie_per_mole ** 1" type="DivalentLonePair" match="once" distance="-0.2 * nanometer ** 1" outOfPlaneAngle="0.0 * degree ** 1" inPlaneAngle="None" charge_increment1="0.0 * elementary_charge ** 1" charge_increment2="1.0 * elementary_charge ** 1" charge_increment3="1.0 * elementary_charge ** 1" sigma="1.0 * angstrom ** 1" name="EP" parameterize="distance,charge_increment2" parameter_eval="charge_increment3=PRM['VirtualSites/VirtualSite/charge_increment2/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/once']"></VirtualSite>
+        <VirtualSite smirks="[#1:2]-[#8X2H2+0:1]-[#1:3]" epsilon="0.0 * kilocalorie_per_mole ** 1" type="DivalentLonePair" match="all_permutations" distance="0.2 * nanometer ** 1" outOfPlaneAngle="70 * degree ** 1" inPlaneAngle="None" charge_increment1="0 * elementary_charge ** 1" charge_increment2="0.0 * elementary_charge ** 1" charge_increment3="0.0 * elementary_charge ** 1" sigma="1.0 * angstrom ** 1" name="EP-L" parameterize="distance,outOfPlaneAngle" parameter_eval="charge_increment2=-0.5*PRM['VirtualSites/VirtualSite/charge_increment2/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/once'], charge_increment3=-0.5*PRM['VirtualSites/VirtualSite/charge_increment2/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/once']"></VirtualSite>
+    </VirtualSites>
+</SMIRNOFF>
\ No newline at end of file
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/gradient.in b/studies/028_smirnoff_tip4p_geometry_fit/gradient.in
new file mode 100644
index 000000000..59c31dcb7
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/gradient.in
@@ -0,0 +1,53 @@
+# ForceBalance input file for gradient evaluation (used by test_system.py)
+# Based on optimize.in with jobtype changed to gradient
+
+$options
+ffdir forcefield
+penalty_type L2
+jobtype gradient
+forcefield force-field.offxml
+maxstep 2
+convergence_step 0.1
+convergence_objective 0.1
+convergence_gradient 0.1
+eig_lowerbound 0.01
+finite_difference_h 0.001
+penalty_additive 1.0
+trust0 0.25
+mintrust 0.05
+error_tolerance 1.0
+adaptive_factor 0.2
+adaptive_damping 1.0
+normalize_weights no
+print_hessian
+constrain_charge false
+backup false
+
+priors
+    /VirtualSites/VirtualSite/charge_increment2  :  0.1
+    /VirtualSites/VirtualSite/distance  :  0.1
+    /VirtualSites/VirtualSite/outOfPlaneAngle  :  0.1
+/priors
+
+$end
+
+$target
+name water
+type AbInitio_SMIRNOFF
+mol2 input.sdf
+pdb water.pdb
+weight 1.0
+w_force 0.1 # Reflects intrinsically small QM force
+force_average # Average force over all atoms
+attenuate
+energy_denom 5.0
+energy_upper 20.0
+writelevel 2
+$end
+
+$target
+name phys-prop
+type Evaluator_SMIRNOFF
+weight 1.0
+evaluator_input options.json
+$end
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/optimize.in b/studies/028_smirnoff_tip4p_geometry_fit/optimize.in
new file mode 100644
index 000000000..74ff57dde
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/optimize.in
@@ -0,0 +1,58 @@
+# ForceBalance input file generated by MakeInputFile.py
+# The octothorpe '#' is a comment symbol
+# There are two sections, the main options ($options) and the target options ($target)
+# A ForceBalance calculation will have one $options section and as one $target section per optimization target
+# The most important options are listed at the top; options are also roughly grouped by their application
+# Note: If the specified value is 'None' then the option will truly be set to None - not the string 'None'
+# Note: Section option types are more complicated and may require you to read the documentation
+# Note: Boolean option types require no value, the key being present implies 'True'
+# Note: List option types are specified using spaces as the delimiter - i.e. forcefield ff1.itp ff2.itp ; delete empty brackets before use [] 
+
+$options
+ffdir forcefield
+penalty_type L2
+jobtype optimize
+forcefield force-field.offxml
+maxstep 20
+convergence_step 0.1
+convergence_objective 0.1
+convergence_gradient 0.1
+eig_lowerbound 0.01
+finite_difference_h 0.001
+penalty_additive 1.0
+trust0 0.25
+mintrust 0.05
+error_tolerance 1.0
+adaptive_factor 0.2
+adaptive_damping 1.0
+normalize_weights no
+print_hessian
+constrain_charge false
+
+priors
+    /VirtualSites/VirtualSite/charge_increment2  :  0.1
+    /VirtualSites/VirtualSite/distance  :  0.1
+    /VirtualSites/VirtualSite/outOfPlaneAngle  :  0.1
+/priors
+
+$end
+
+$target
+name water
+type AbInitio_SMIRNOFF
+mol2 input.sdf
+pdb water.pdb
+weight 1.0
+w_force 0.1 # Reflects intrinsically small QM force
+attenuate
+energy_denom 5.0
+energy_upper 20.0
+writelevel 2
+$end
+
+$target
+name phys-prop
+type Evaluator_SMIRNOFF
+weight 1.0
+evaluator_input options.json
+$end
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/run_server.py b/studies/028_smirnoff_tip4p_geometry_fit/run_server.py
new file mode 100644
index 000000000..2feb7a821
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/run_server.py
@@ -0,0 +1,43 @@
+#!/usr/bin/env python3
+import shutil
+from os import path
+
+from openff.evaluator.backends import ComputeResources
+from openff.evaluator.backends.dask import DaskLocalCluster
+from openff.evaluator.server import EvaluatorServer
+from openff.evaluator.utils import setup_timestamp_logging
+
+
+def main():
+
+    # Set up logging for the evaluator.
+    setup_timestamp_logging()
+
+    # Set up the directory structure.
+    working_directory = "working_directory"
+
+    # Remove any existing data.
+    if path.isdir(working_directory):
+        shutil.rmtree(working_directory)
+
+    # Set up a backend to run the calculations on with the requested resources.
+    worker_resources = ComputeResources(number_of_threads=1)
+
+    calculation_backend = DaskLocalCluster(
+        number_of_workers=1, resources_per_worker=worker_resources
+    )
+
+    with calculation_backend:
+
+        server = EvaluatorServer(
+            calculation_backend=calculation_backend,
+            working_directory=working_directory,
+            port=8000,
+        )
+
+        # Tell the server to start listening for estimation requests.
+        server.start()
+
+
+if __name__ == "__main__":
+    main()
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/smirnoff_parameter_assignments.json b/studies/028_smirnoff_tip4p_geometry_fit/smirnoff_parameter_assignments.json
new file mode 100644
index 000000000..67beaa15e
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/smirnoff_parameter_assignments.json
@@ -0,0 +1,103 @@
+{
+  "targets/water/input.sdf": [
+    {
+      "id": "n-tip4p-fb-O",
+      "smirks": "[#1]-[#8X2H2+0:1]-[#1]",
+      "type": "vdW",
+      "atoms": [
+        0
+      ]
+    },
+    {
+      "id": "n-tip4p-fb-H",
+      "smirks": "[#1:1]-[#8X2H2+0]-[#1]",
+      "type": "vdW",
+      "atoms": [
+        1
+      ]
+    },
+    {
+      "id": "n-tip4p-fb-H",
+      "smirks": "[#1:1]-[#8X2H2+0]-[#1]",
+      "type": "vdW",
+      "atoms": [
+        2
+      ]
+    },
+    {
+      "id": "q-tip4p-fb-O",
+      "smirks": "[#1]-[#8X2H2+0:1]-[#1]",
+      "type": "LibraryCharges",
+      "atoms": [
+        0
+      ]
+    },
+    {
+      "id": "q-tip4p-fb-H",
+      "smirks": "[#1:1]-[#8X2H2+0]-[#1]",
+      "type": "LibraryCharges",
+      "atoms": [
+        1
+      ]
+    },
+    {
+      "id": "q-tip4p-fb-H",
+      "smirks": "[#1:1]-[#8X2H2+0]-[#1]",
+      "type": "LibraryCharges",
+      "atoms": [
+        2
+      ]
+    },
+    {
+      "id": "c-tip4p-fb-H-O",
+      "smirks": "[#1:1]-[#8X2H2+0:2]-[#1]",
+      "type": "Constraints",
+      "atoms": [
+        0,
+        1
+      ]
+    },
+    {
+      "id": "c-tip4p-fb-H-O",
+      "smirks": "[#1:1]-[#8X2H2+0:2]-[#1]",
+      "type": "Constraints",
+      "atoms": [
+        0,
+        2
+      ]
+    },
+    {
+      "id": "c-tip4p-fb-H-O-H",
+      "smirks": "[#1:1]-[#8X2H2+0]-[#1:2]",
+      "type": "Constraints",
+      "atoms": [
+        1,
+        2
+      ]
+    },
+    {
+      "id": null,
+      "smirks": "[#1:2]-[#8X2H2+0:1]-[#1:3]",
+      "type": "VirtualSites",
+      "atoms": [
+        0
+      ]
+    },
+    {
+      "id": null,
+      "smirks": "[#1:2]-[#8X2H2+0:1]-[#1:3]",
+      "type": "VirtualSites",
+      "atoms": [
+        0
+      ]
+    },
+    {
+      "id": null,
+      "smirks": "[#1:2]-[#8X2H2+0:1]-[#1:3]",
+      "type": "VirtualSites",
+      "atoms": [
+        0
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/stored_data/2e965c84a1ee4b86aa97a00b81a66865.json b/studies/028_smirnoff_tip4p_geometry_fit/stored_data/2e965c84a1ee4b86aa97a00b81a66865.json
new file mode 100644
index 000000000..44655211c
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/stored_data/2e965c84a1ee4b86aa97a00b81a66865.json
@@ -0,0 +1 @@
+{"force_field_source": {"inner_xml": "<?xml version=\"1.0\" encoding=\"utf-8\"?>\n<SMIRNOFF version=\"0.3\" aromaticity_model=\"OEAroModel_MDL\">\n    <vdW version=\"0.4\" potential=\"Lennard-Jones-12-6\" combining_rules=\"Lorentz-Berthelot\" scale12=\"0.0\" scale13=\"0.0\" scale14=\"0.5\" scale15=\"1.0\" cutoff=\"9.0 * angstrom ** 1\" switch_width=\"1.0 * angstrom ** 1\" periodic_method=\"cutoff\" nonperiodic_method=\"no-cutoff\">\n        <Atom smirks=\"[#1]-[#8X2H2+0:1]-[#1]\" epsilon=\"0.7492790213533 * kilojoule_per_mole ** 1\" id=\"n-tip4p-fb-O\" sigma=\"0.3165552430462 * nanometer ** 1\"></Atom>\n        <Atom smirks=\"[#1:1]-[#8X2H2+0]-[#1]\" epsilon=\"0.0 * kilocalorie_per_mole ** 1\" id=\"n-tip4p-fb-H\" sigma=\"1.0 * nanometer ** 1\"></Atom>\n        <Atom smirks=\"[#3X0+1:1]\" epsilon=\"0.00209587 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Li+\" rmin_half=\"1.24 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#11X0+1:1]\" epsilon=\"0.02499549 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Na+\" rmin_half=\"1.448 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#19X0+1:1]\" epsilon=\"0.1282327 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-K+\" rmin_half=\"1.685 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#37X0+1:1]\" epsilon=\"0.20907204 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Rb+\" rmin_half=\"1.795 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#55X0+1:1]\" epsilon=\"0.34401021 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Cs+\" rmin_half=\"1.95 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#81X0+1:1]\" epsilon=\"0.11617738 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Tl+\" rmin_half=\"1.666 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#29X0+1:1]\" epsilon=\"0.00067804 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Cu+\" rmin_half=\"1.172 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#47X0+1:1]\" epsilon=\"0.0058006 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ag+\" rmin_half=\"1.313 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#9X0-1:1]\" epsilon=\"0.25078 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-F-\" rmin_half=\"1.845 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#17X0-1:1]\" epsilon=\"0.64716164 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Cl-\" rmin_half=\"2.313 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#35X0-1:1]\" epsilon=\"0.73554824 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Br-\" rmin_half=\"2.454 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#53X0-1:1]\" epsilon=\"0.87867445 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-I-\" rmin_half=\"2.804 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#4X0+2:1]\" epsilon=\"1.42e-06 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Be2+\" rmin_half=\"0.924 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#29X0+2:1]\" epsilon=\"0.00089969 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Cu2+\" rmin_half=\"1.181 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#28X0+2:1]\" epsilon=\"0.00136949 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ni2+\" rmin_half=\"1.213 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#78X0+2:1]\" epsilon=\"0.00176831 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Pt2+\" rmin_half=\"1.229 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#30X0+2:1]\" epsilon=\"0.00191142 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Zn2+\" rmin_half=\"1.234 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#27X0+2:1]\" epsilon=\"0.00359255 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Co2+\" rmin_half=\"1.277 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#46X0+2:1]\" epsilon=\"0.00384964 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Pd2+\" rmin_half=\"1.282 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#47X0+2:1]\" epsilon=\"0.00602547 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ag2+\" rmin_half=\"1.316 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#24X0+2:1]\" epsilon=\"0.00691068 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Cr2+\" rmin_half=\"1.327 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#26X0+2:1]\" epsilon=\"0.00752608 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Fe2+\" rmin_half=\"1.334 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#12X0+2:1]\" epsilon=\"0.00828195 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Mg2+\" rmin_half=\"1.342 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#23X0+2:1]\" epsilon=\"0.00858042 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-V2+\" rmin_half=\"1.345 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#25X0+2:1]\" epsilon=\"0.01476261 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Mn2+\" rmin_half=\"1.394 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#80X0+2:1]\" epsilon=\"0.01476261 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Hg2+\" rmin_half=\"1.394 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#48X0+2:1]\" epsilon=\"0.01538757 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Cd2+\" rmin_half=\"1.398 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#70X0+2:1]\" epsilon=\"0.09019198 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Yb2+\" rmin_half=\"1.621 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#20X0+2:1]\" epsilon=\"0.09344247 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ca2+\" rmin_half=\"1.627 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#50X0+2:1]\" epsilon=\"0.10359269 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Sn2+\" rmin_half=\"1.645 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#82X0+2:1]\" epsilon=\"0.15773029 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Pb2+\" rmin_half=\"1.728 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#63X0+2:1]\" epsilon=\"0.19865859 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Eu2+\" rmin_half=\"1.782 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#38X0+2:1]\" epsilon=\"0.20424131 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Sr2+\" rmin_half=\"1.789 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#62X0+2:1]\" epsilon=\"0.20988115 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Sm2+\" rmin_half=\"1.796 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#56X0+2:1]\" epsilon=\"0.38216886 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ba2+\" rmin_half=\"1.992 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#88X0+2:1]\" epsilon=\"0.38216886 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ra2+\" rmin_half=\"1.992 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#13X0+3:1]\" epsilon=\"0.00312065 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Al3+\" rmin_half=\"1.267 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#26X0+3:1]\" epsilon=\"0.01636246 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Fe3+\" rmin_half=\"1.404 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#24X0+3:1]\" epsilon=\"0.00858042 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Cr3+\" rmin_half=\"1.345 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#49X0+3:1]\" epsilon=\"0.02387506 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-In3+\" rmin_half=\"1.443 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#81X0+3:1]\" epsilon=\"0.03537062 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Tl3+\" rmin_half=\"1.488 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#39X0+3:1]\" epsilon=\"0.07117158 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Y3+\" rmin_half=\"1.583 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#57X0+3:1]\" epsilon=\"0.1485017 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-La3+\" rmin_half=\"1.715 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#58X0+3:1]\" epsilon=\"0.16500296 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ce3+\" rmin_half=\"1.738 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#59X0+3:1]\" epsilon=\"0.1598965 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Pr3+\" rmin_half=\"1.731 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#60X0+3:1]\" epsilon=\"0.12180998 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Nd3+\" rmin_half=\"1.675 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#62X0+3:1]\" epsilon=\"0.10651723 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Sm3+\" rmin_half=\"1.65 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#63X0+3:1]\" epsilon=\"0.11129023 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Eu3+\" rmin_half=\"1.658 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#64X0+3:1]\" epsilon=\"0.08337961 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Gd3+\" rmin_half=\"1.608 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#65X0+3:1]\" epsilon=\"0.08806221 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Tb3+\" rmin_half=\"1.617 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#66X0+3:1]\" epsilon=\"0.07543075 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Dy3+\" rmin_half=\"1.592 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#68X0+3:1]\" epsilon=\"0.07117158 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Er3+\" rmin_half=\"1.583 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#69X0+3:1]\" epsilon=\"0.07117158 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Tm3+\" rmin_half=\"1.583 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#71X0+3:1]\" epsilon=\"0.06397679 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Lu3+\" rmin_half=\"1.567 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#72X0+4:1]\" epsilon=\"0.02960343 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Hf4+\" rmin_half=\"1.467 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#40X0+4:1]\" epsilon=\"0.03745682 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Zr4+\" rmin_half=\"1.495 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#58X0+4:1]\" epsilon=\"0.13282966 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ce4+\" rmin_half=\"1.692 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#92X0+4:1]\" epsilon=\"0.13282966 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-U4+\" rmin_half=\"1.692 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#94X0+4:1]\" epsilon=\"0.11679623 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Pu4+\" rmin_half=\"1.667 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#90X0+4:1]\" epsilon=\"0.14433113 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Th4+\" rmin_half=\"1.709 * angstrom ** 1\"></Atom>\n    </vdW>\n    <LibraryCharges version=\"0.3\">\n        <LibraryCharge smirks=\"[#1]-[#8X2H2+0:1]-[#1]\" charge1=\"0 * elementary_charge ** 1\" id=\"q-tip4p-fb-O\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#1:1]-[#8X2H2+0]-[#1]\" charge1=\"0 * elementary_charge ** 1\" id=\"q-tip4p-fb-H\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#3X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Li+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#11X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Na+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#19X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-K+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#37X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Rb+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#55X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cs+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#81X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Tl+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#29X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cu+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#47X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ag+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#9X0-1:1]\" charge1=\"-1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-F-\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#17X0-1:1]\" charge1=\"-1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cl-\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#35X0-1:1]\" charge1=\"-1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Br-\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#53X0-1:1]\" charge1=\"-1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-I-\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#4X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Be2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#29X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cu2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#28X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ni2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#78X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Pt2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#30X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Zn2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#27X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Co2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#46X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Pd2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#47X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ag2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#24X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cr2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#26X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Fe2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#12X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Mg2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#23X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-V2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#25X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Mn2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#80X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Hg2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#48X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cd2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#70X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Yb2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#20X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ca2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#50X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Sn2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#82X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Pb2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#63X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Eu2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#38X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Sr2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#62X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Sm2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#56X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ba2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#88X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ra2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#13X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Al3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#26X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Fe3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#24X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cr3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#49X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-In3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#81X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Tl3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#39X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Y3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#57X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-La3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#58X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ce3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#59X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Pr3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#60X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Nd3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#62X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Sm3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#63X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Eu3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#64X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Gd3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#65X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Tb3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#66X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Dy3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#68X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Er3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#69X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Tm3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#71X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Lu3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#72X0+4:1]\" charge1=\"4 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Hf4+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#40X0+4:1]\" charge1=\"4 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Zr4+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#58X0+4:1]\" charge1=\"4 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ce4+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#92X0+4:1]\" charge1=\"4 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-U4+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#94X0+4:1]\" charge1=\"4 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Pu4+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#90X0+4:1]\" charge1=\"4 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Th4+\"></LibraryCharge>\n    </LibraryCharges>\n    <Electrostatics version=\"0.4\" scale12=\"0.0\" scale13=\"0.0\" scale14=\"0.8333333333\" scale15=\"1.0\" cutoff=\"9.0 * angstrom ** 1\" switch_width=\"0.0 * angstrom ** 1\" periodic_potential=\"Ewald3D-ConductingBoundary\" nonperiodic_potential=\"Coulomb\" exception_potential=\"Coulomb\"></Electrostatics>\n    <Constraints version=\"0.3\">\n        <Constraint smirks=\"[#1:1]-[#8X2H2+0:2]-[#1]\" id=\"c-tip4p-fb-H-O\" distance=\"0.09572 * nanometer ** 1\"></Constraint>\n        <Constraint smirks=\"[#1:1]-[#8X2H2+0]-[#1:2]\" id=\"c-tip4p-fb-H-O-H\" distance=\"0.15139006545247014 * nanometer ** 1\"></Constraint>\n    </Constraints>\n    <VirtualSites version=\"0.3\" exclusion_policy=\"parents\">\n        <VirtualSite smirks=\"[#1:2]-[#8X2H2+0:1]-[#1:3]\" epsilon=\"0.0 * kilocalorie_per_mole ** 1\" type=\"DivalentLonePair\" match=\"once\" distance=\"-0.2 * nanometer ** 1\" outOfPlaneAngle=\"0.0 * degree ** 1\" inPlaneAngle=\"None\" charge_increment1=\"0.0 * elementary_charge ** 1\" charge_increment2=\"1.0 * elementary_charge ** 1\" charge_increment3=\"1.0 * elementary_charge ** 1\" sigma=\"1.0 * angstrom ** 1\" name=\"EP\"></VirtualSite>\n        <VirtualSite smirks=\"[#1:2]-[#8X2H2+0:1]-[#1:3]\" epsilon=\"0.0 * kilocalorie_per_mole ** 1\" type=\"DivalentLonePair\" match=\"all_permutations\" distance=\"0.2 * nanometer ** 1\" outOfPlaneAngle=\"70.0 * degree ** 1\" inPlaneAngle=\"None\" charge_increment1=\"0 * elementary_charge ** 1\" charge_increment2=\"-0.5 * elementary_charge ** 1\" charge_increment3=\"-0.5 * elementary_charge ** 1\" sigma=\"1.0 * angstrom ** 1\" name=\"EP-L\"></VirtualSite>\n    </VirtualSites>\n</SMIRNOFF>", "@type": "openff.evaluator.forcefield.forcefield.SmirnoffForceFieldSource"}, "@type": "openff.evaluator.storage.data.ForceFieldData"}
\ No newline at end of file
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/stored_data/object_keys.json b/studies/028_smirnoff_tip4p_geometry_fit/stored_data/object_keys.json
new file mode 100644
index 000000000..eae7b1af7
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/stored_data/object_keys.json
@@ -0,0 +1 @@
+{"object_keys": {"ForceFieldData": ["2e965c84a1ee4b86aa97a00b81a66865"]}, "@type": "openff.evaluator.storage.storage.StorageBackend._ObjectKeyData"}
\ No newline at end of file

From 606534ce6025358ec986d58497e793a79b7a7747 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 5 Mar 2026 13:02:58 +1100
Subject: [PATCH 56/76] add more test files

---
 src/evaluator_io.py                           |   2 +-
 src/openmmio.py                               |   5 +
 src/recharge_io.py                            |   2 +-
 src/smirnoffio.py                             |  52 +-
 src/tests/files/test.job                      |   1 +
 src/tests/test_system.py                      | 263 +++---
 .../.gitignore                                |   3 +
 .../forcefield/force-field.offxml             | 515 ++++++++---
 .../forcefield/tip4p_fb.offxml                | 139 +++
 .../generate-4-site-input-forcefield.py       | 266 ++++++
 .../gradient.in                               |  53 --
 .../optimize.in                               |  14 +-
 .../optimize.sav                              |  68 ++
 .../smirnoff_parameter_assignments.json       | 863 +++++++++++++++++-
 .../2e965c84a1ee4b86aa97a00b81a66865.json     |   1 -
 .../stored_data/object_keys.json              |   2 +-
 .../.gitignore                                |   3 +
 .../forcefield_tip4p/tip4p_fb.offxml          |  21 +
 .../forcefield_tip4p/tip4pfb.xml              |  33 +
 .../forcefield_tip5p/tip5p.offxml             |  21 +
 .../forcefield_tip5p/tip5p.xml                |  32 +
 .../gradient_tip4p_openmm.in                  |  28 +
 .../gradient_tip4p_smirnoff.in                |  27 +
 .../gradient_tip5p_openmm.in                  |  28 +
 .../gradient_tip5p_smirnoff.in                |  27 +
 25 files changed, 2153 insertions(+), 316 deletions(-)
 create mode 100755 src/tests/files/test.job
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/.gitignore
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/forcefield/tip4p_fb.offxml
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/generate-4-site-input-forcefield.py
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/gradient.in
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/optimize.sav
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/stored_data/2e965c84a1ee4b86aa97a00b81a66865.json
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/.gitignore
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip4p/tip4p_fb.offxml
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip4p/tip4pfb.xml
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip5p/tip5p.offxml
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip5p/tip5p.xml
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip4p_openmm.in
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip4p_smirnoff.in
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip5p_openmm.in
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip5p_smirnoff.in

diff --git a/src/evaluator_io.py b/src/evaluator_io.py
index 12bdadb68..90090d23b 100644
--- a/src/evaluator_io.py
+++ b/src/evaluator_io.py
@@ -403,7 +403,7 @@ def _extract_physical_parameter_values(self):
 
         return parameter_values
 
-    def _build_pvals_jacobian(self, mvals, perturbation_amount=1.0e-4):
+    def _build_pvals_jacobian(self, mvals, perturbation_amount=1.0e-3):
         """Build the matrix which maps the gradients of properties with
         respect to physical parameters to gradients with respect to
         force balance mathematical parameters.
diff --git a/src/openmmio.py b/src/openmmio.py
index 4292eea31..57a51535a 100644
--- a/src/openmmio.py
+++ b/src/openmmio.py
@@ -270,6 +270,11 @@ def GetVirtualSiteParameters(system):
                 vsprm.append(_openmm.OutOfPlaneSite_getWeight12(vs))
                 vsprm.append(_openmm.OutOfPlaneSite_getWeight13(vs))
                 vsprm.append(_openmm.OutOfPlaneSite_getWeightCross(vs))
+            elif vstype == 'LocalCoordinatesSite':
+                vsprm.extend(_openmm.LocalCoordinatesSite_getOriginWeights(vs))
+                vsprm.extend(_openmm.LocalCoordinatesSite_getXWeights(vs))
+                vsprm.extend(_openmm.LocalCoordinatesSite_getYWeights(vs))
+                vsprm.extend(_openmm.LocalCoordinatesSite_getLocalPosition(vs))
     return np.array(vsprm)
 
 def GetDrudeParameters(system):
diff --git a/src/recharge_io.py b/src/recharge_io.py
index f97d81088..07c3815da 100644
--- a/src/recharge_io.py
+++ b/src/recharge_io.py
@@ -170,7 +170,7 @@ def _initialize(self):
 
             residual_counter += len(self._molecule_residual_ranges[smiles_pattern])
 
-    def _compute_gradient_jacobian(self, mvals, perturbation_amount=1.0e-4):
+    def _compute_gradient_jacobian(self, mvals, perturbation_amount=1.0e-3):
         """Build the matrix which maps the gradient w.r.t. physical parameters to
         a gradient w.r.t mathematical parameters.
 
diff --git a/src/smirnoffio.py b/src/smirnoffio.py
index 4101b8c08..6705f3cfe 100644
--- a/src/smirnoffio.py
+++ b/src/smirnoffio.py
@@ -181,8 +181,42 @@ def smirnoff_analyze_parameter_coverage(forcefield, tgt_opts):
             optgeo_options_txt = os.path.join(target_path, tgt_option['optgeo_options_txt'])
             sys_opts = forcebalance.opt_geo_target.OptGeoTarget.parse_optgeo_options(optgeo_options_txt)
             mol2_paths = [os.path.join(target_path,fnm) for sysopt in sys_opts.values() for fnm in sysopt['mol2']]
+        elif tgt_option['type'] == 'EVALUATOR_SMIRNOFF':
+            # Molecules are stored in the evaluator training-set.json, not mol2 files.
+            # Read the options file to find the training set path, then extract component SMILES.
+            options_path = os.path.join(target_path, tgt_option.get('evaluator_input', 'options.json'))
+            if os.path.exists(options_path):
+                with open(options_path) as f:
+                    evaluator_opts = json.load(f)
+                data_set_path = os.path.join(target_path, evaluator_opts.get('data_set_path', 'training-set.json'))
+                if os.path.exists(data_set_path):
+                    with open(data_set_path) as f:
+                        data_set = json.load(f)
+                    smiles_set = set()
+                    for prop in data_set.get('properties', []):
+                        for component in prop.get('substance', {}).get('components', []):
+                            smiles = component.get('smiles')
+                            if smiles:
+                                smiles_set.add(smiles)
+                    for smiles in smiles_set:
+                        try:
+                            openff_mol = OffMolecule.from_smiles(smiles)
+                            off_topology = OffTopology.from_molecules([openff_mol])
+                            molecule_force_list = ff.label_molecules(off_topology)
+                            mol_key = os.path.join(target_path, smiles)
+                            for mol_idx, mol_forces in enumerate(molecule_force_list):
+                                for force_tag, force_dict in mol_forces.items():
+                                    for atom_indices, parameters in force_dict.items():
+                                        if not isinstance(parameters, list):
+                                            parameters = [parameters]
+                                        for parameter in parameters:
+                                            param_dict = {'id': parameter.id, 'smirks': parameter.smirks, 'type': force_tag, 'atoms': list(atom_indices)}
+                                            parameter_assignment_data[mol_key].append(param_dict)
+                                            parameter_counter[parameter.smirks] += 1
+                        except Exception:
+                            pass
         elif tgt_option['type'].endswith('_SMIRNOFF'):
-            mol2_paths = [os.path.join(target_path,fnm) for fnm in tgt_option['mol2']]
+            mol2_paths = [os.path.join(target_path,fnm) for fnm in tgt_option.get('mol2', [])]
         # analyze SMIRKs terms
         for mol_fnm in mol2_paths:
             # we work with one file at a time to avoid the topology sliently combine "same" molecules
@@ -212,7 +246,9 @@ def smirnoff_analyze_parameter_coverage(forcefield, tgt_opts):
     logger.info("-"*118 + '\n')
     n_covered = 0
     for i,p in enumerate(forcefield.plist):
-        smirks = p.split('/')[-1]
+        parts = p.split('/')
+        # account for virtual sites
+        smirks = parts[3] if len(parts) > 3 else parts[-1]
         logger.info('%4i %-100s : %10d\n' % (i, p, parameter_counter[smirks]))
         if parameter_counter[smirks] > 0:
             n_covered += 1
@@ -345,7 +381,10 @@ def smirnoff_update_pgrads(target):
 
     Note
     ----
-    1. This function assumes the names of the forcefield parameters has the smirks as the last item
+    1. This function extracts the SMIRKS as the first path component starting with '['.
+       For standard parameters (e.g. vdW) the SMIRKS is the last component; for
+       VirtualSite parameters it is not, so rsplit('/', maxsplit=1)[-1] would return
+       a suffix like "once" or "all_permutations" instead of the actual SMIRKS.
     2. This function assumes params only affect the smirks of its own. This might not be true if parameter_eval is used.
     """
     orig_pgrad_set = set(target.pgrad)
@@ -361,7 +400,12 @@ def smirnoff_update_pgrads(target):
         if pname.startswith('/'):
             pgrads_set.update(target.FF.get_mathid(pname))
         else:
-            smirks = pname.rsplit('/',maxsplit=1)[-1]
+            # Extract the SMIRKS pattern: it is the first path component starting with '['.
+            # This correctly handles VirtualSite parameters whose names have additional
+            # components (type, name, match) after the SMIRKS, e.g.:
+            #   VirtualSites/VirtualSite/distance/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/once
+            smirks = next((p for p in pname.split('/') if p.startswith('[')),
+                          pname.rsplit('/', maxsplit=1)[-1])
 
             for pidx in target.FF.get_mathid(pname):
                 smirks_params_map[smirks].append(pidx)
diff --git a/src/tests/files/test.job b/src/tests/files/test.job
new file mode 100755
index 000000000..411fa896e
--- /dev/null
+++ b/src/tests/files/test.job
@@ -0,0 +1 @@
+work queue test
diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index eb681b8c7..025664c9f 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -37,6 +37,10 @@
 # expected gradient elements from 028 evaluator water vsite study (3 vsite params). Update after first run.
 EXPECTED_EVALUATOR_WATER_VSITE_GRADIENT = array([0, 0, 0])
 
+# expected objective values from 029 cross-engine consistency study. Update after first run.
+EXPECTED_TIP4P_OBJECTIVE = array([0.473572])
+EXPECTED_TIP5P_OBJECTIVE = array([0.360085])
+
 # expected result (pvals) taken from ethanol GB parameter optimization. Update this if it changes and seems reasonable (updated 09/05/14)
 EXPECTED_ETHANOL_RESULTS = array([1.2286e-01, 8.3624e-01, 1.0014e-01, 8.4533e-01, 1.8740e-01, 6.8820e-01, 1.4606e-01, 8.3518e-01])
 
@@ -59,15 +63,24 @@
 EXPECTED_RECHARGE_METHANE_ESP_GRADIENT = array([9.76931016e-03])
 EXPECTED_RECHARGE_METHANE_FIELD_GRADIENT = array([1.12071584e-02])
 
+EXPECTED_VSITE_VDW_PARAMETERS = array([
+    # CX4 epsilon, sigma
+    0.1088406109251, 3.3795317616266205,
+    # water O epsilon, sigma
+    0.7492790213533, 0.3165552430462,
+    # vsite distance, charge increment2
+    -0.010527445756662016, 0.5258681106763
+])
+
 
 class ForceBalanceSystemTest(ForceBalanceTestCase):
     def teardown_method(self):
-        for fnm in [self.input_file.replace('.in','.sav')]:
-            if os.path.exists(fnm):
-                os.remove(fnm)
-        for dnm in [self.input_file.replace('.in','.bak'), self.input_file.replace('.in','.tmp'), "result"]:
-            if os.path.exists(dnm):
-                shutil.rmtree(dnm)
+        # for fnm in [self.input_file.replace('.in','.sav')]:
+        #     if os.path.exists(fnm):
+        #         os.remove(fnm)
+        # for dnm in [self.input_file.replace('.in','.bak'), self.input_file.replace('.in','.tmp'), "result"]:
+        #     if os.path.exists(dnm):
+        #         shutil.rmtree(dnm)
         super(ForceBalanceSystemTest, self).teardown_method()
         
     def get_objective(self):
@@ -194,22 +207,27 @@ def test_thermo_bromine_study(self):
         self.run_optimizer()
 
 
-@skip_openff_py39
-class TestEvaluatorBromineStudy(ForceBalanceSystemTest):
-    def setup_method(self, method):
-        pytest.importorskip("openff.evaluator")
-        super(TestEvaluatorBromineStudy, self).setup_method(method)
-        cwd = os.path.dirname(os.path.realpath(__file__))
-        os.chdir(os.path.join(cwd, '..', '..', 'studies', '003d_evaluator_liquid_bromine'))
-        self.study_directory = os.getcwd()
-        ## Extract targets archive.
-        targets = tarfile.open('targets.tar.gz','r')
-        targets.extractall()
-        targets.close()
-        ## Start the estimator server.
-        ## - Redirect output to a log file (not PIPE) so Dask worker subprocesses
-        ##   that inherit the fd don't fill the pipe buffer and deadlock.
-        ## - Use 'python -u' so each log line is flushed immediately to disk.
+class EvaluatorServerMixin:
+    """Mixin that manages an openff-evaluator server subprocess for tests.
+
+    Subclasses should call ``_start_evaluator_server()`` in ``setup_method``
+    and may set ``_cleanup_folders`` to a tuple of directory names to remove
+    in ``teardown_method``.
+
+    Notes
+    -----
+    - Output is redirected to a log file (not PIPE) so Dask worker subprocesses
+      that inherit the fd don't fill the pipe buffer and deadlock.
+    - ``python -u`` is used so each log line is flushed immediately to disk.
+    - We poll the log file rather than making a raw TCP probe: a bare
+      connect+disconnect causes recvall() in _handle_stream to return None,
+      which crashes struct.unpack and kills the _handle_connections loop.
+    """
+
+    _server_port = 8000
+    _cleanup_folders = ()
+
+    def _start_evaluator_server(self):
         import subprocess, time
         self._server_log_path = os.path.abspath("server.log")
         self._server_log = open(self._server_log_path, "w")
@@ -217,20 +235,14 @@ def setup_method(self, method):
             ["python", "-u", "run_server.py", "-ngpus=0", "-ncpus=1"],
             stdout=self._server_log, stderr=self._server_log,
         )
-        ## Wait for the server to log that it is ready.  We intentionally avoid
-        ## making a raw TCP probe: a bare connect+disconnect causes recvall() in
-        ## _handle_stream to return None, which crashes struct.unpack and kills
-        ## the _handle_connections loop because the except is outside the while.
-        server_port = 8000
-        ready_marker = "listening at port {}".format(server_port)
+        ready_marker = "listening at port {}".format(self._server_port)
         deadline = time.time() + 120
         while time.time() < deadline:
             if self.estimator_process.poll() is not None:
                 self._server_log.flush()
-                log_contents = open(self._server_log_path).read()
                 pytest.fail(
                     "Evaluator server process exited prematurely (rc=%d). Log:\n%s"
-                    % (self.estimator_process.returncode, log_contents[-2000:])
+                    % (self.estimator_process.returncode, open(self._server_log_path).read()[-2000:])
                 )
             with open(self._server_log_path) as f:
                 if ready_marker in f.read():
@@ -238,13 +250,10 @@ def setup_method(self, method):
             time.sleep(0.5)
         else:
             self.estimator_process.terminate()
-            log_contents = open(self._server_log_path).read()
             pytest.fail(
                 "Evaluator server did not start within 120 seconds. Log:\n%s"
-                % log_contents[-2000:]
+                % open(self._server_log_path).read()[-2000:]
             )
-        self.input_file='gradient.in'
-        self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
 
     def teardown_method(self):
         try:
@@ -253,34 +262,56 @@ def teardown_method(self):
                 self.estimator_process.wait(timeout=10)
         except Exception:
             pass
-
         try:
-            # Ensure cleanup paths are resolved from the study root even if the test changed cwd.
+            if hasattr(self, '_server_log') and self._server_log is not None:
+                self._server_log.close()
+            if hasattr(self, '_server_log_path') and os.path.exists(self._server_log_path):
+                os.remove(self._server_log_path)
+        except Exception:
+            pass
+        try:
             if hasattr(self, 'study_directory'):
                 os.chdir(self.study_directory)
-            for folder_name in ["working_directory", "stored_data"]:
-                if os.path.isdir(folder_name):
-                    shutil.rmtree(folder_name)
+            for folder in self._cleanup_folders:
+                if os.path.isdir(folder):
+                    shutil.rmtree(folder)
         finally:
-            super(TestEvaluatorBromineStudy, self).teardown_method()
+            super().teardown_method()
+
+
+@skip_openff_py39
+class TestEvaluatorBromineStudy(EvaluatorServerMixin, ForceBalanceSystemTest):
+    _cleanup_folders = ("working_directory", "stored_data")
+
+    def setup_method(self, method):
+        pytest.importorskip("openff.evaluator")
+        super().setup_method(method)
+        cwd = os.path.dirname(os.path.realpath(__file__))
+        os.chdir(os.path.join(cwd, '..', '..', 'studies', '003d_evaluator_liquid_bromine'))
+        self.study_directory = os.getcwd()
+        targets = tarfile.open('targets.tar.gz', 'r')
+        targets.extractall()
+        targets.close()
+        self._start_evaluator_server()
+        self.input_file = 'gradient.in'
+        self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
 
     def test_bromine_study(self):
         """Check bromine study produces objective function and gradient in expected range """
         objective = self.get_objective()
         try:
-            data = objective.Full(np.zeros(objective.FF.np),1,verbose=True)
+            data = objective.Full(np.zeros(objective.FF.np), 1, verbose=True)
         except Exception as exc:
             self._server_log.flush()
-            log_contents = open(self._server_log_path).read()
             raise RuntimeError(
                 "objective.Full raised %s: %s\nServer log (last 2000 chars):\n%s"
-                % (type(exc).__name__, exc, log_contents[-2000:])
+                % (type(exc).__name__, exc, open(self._server_log_path).read()[-2000:])
             ) from exc
-        X, G, H   = data['X'], data['G'], data['H']
-        msgX="\nCalculated objective function is outside expected range.\n If this seems reasonable, update EXPECTED_EVALUATOR_BROMINE_OBJECTIVE in test_system.py with these values"
-        np.testing.assert_allclose(EXPECTED_EVALUATOR_BROMINE_OBJECTIVE, X, atol=200, err_msg=msgX)
-        msgG="\nCalculated gradient is outside expected range.\n If this seems reasonable, update EXPECTED_EVALUATOR_BROMINE_GRADIENT in test_system.py with these values"
-        np.testing.assert_allclose(EXPECTED_EVALUATOR_BROMINE_GRADIENT, G, atol=4300, err_msg=msgG)
+        X, G, H = data['X'], data['G'], data['H']
+        np.testing.assert_allclose(EXPECTED_EVALUATOR_BROMINE_OBJECTIVE, X, atol=200,
+            err_msg="\nObjective outside expected range. Update EXPECTED_EVALUATOR_BROMINE_OBJECTIVE if reasonable.")
+        np.testing.assert_allclose(EXPECTED_EVALUATOR_BROMINE_GRADIENT, G, atol=4300,
+            err_msg="\nGradient outside expected range. Update EXPECTED_EVALUATOR_BROMINE_GRADIENT if reasonable.")
 
 class TestLipidStudy(ForceBalanceSystemTest):
     def setup_method(self, method):
@@ -392,79 +423,85 @@ def test_study(self):
         )
 
 @skip_openff_py39
-class TestEvaluatorWaterVSiteStudy(ForceBalanceSystemTest):
+class TestEvaluatorWaterVSiteStudy(EvaluatorServerMixin, ForceBalanceSystemTest):
+    """Check that we can co-optimize pure and mixture properties of water with a virtual site.
+
+    Physical values may be imprecise due to short simulations; this primarily
+    checks that nothing breaks technically.
+    """
+
     def setup_method(self, method):
         pytest.importorskip("openff.evaluator")
         pytest.importorskip("openff.toolkit")
-        super(TestEvaluatorWaterVSiteStudy, self).setup_method(method)
+        super().setup_method(method)
         cwd = os.path.dirname(os.path.realpath(__file__))
         os.chdir(os.path.join(cwd, '..', '..', 'studies', '028_smirnoff_tip4p_geometry_fit'))
         self.study_directory = os.getcwd()
-        ## Start the estimator server.
-        ## - Redirect output to a log file (not PIPE) so Dask worker subprocesses
-        ##   that inherit the fd don't fill the pipe buffer and deadlock.
-        ## - Use 'python -u' so each log line is flushed immediately to disk.
-        import subprocess, time
-        self._server_log_path = os.path.abspath("server.log")
-        self._server_log = open(self._server_log_path, "w")
-        self.estimator_process = subprocess.Popen(
-            ["python", "-u", "run_server.py", "-ngpus=0", "-ncpus=1"],
-            stdout=self._server_log, stderr=self._server_log,
-        )
-        ## Wait for the server to log that it is ready.
-        server_port = 8000
-        ready_marker = "listening at port {}".format(server_port)
-        deadline = time.time() + 120
-        while time.time() < deadline:
-            if self.estimator_process.poll() is not None:
-                self._server_log.flush()
-                log_contents = open(self._server_log_path).read()
-                pytest.fail(
-                    "Evaluator server process exited prematurely (rc=%d). Log:\n%s"
-                    % (self.estimator_process.returncode, log_contents[-2000:])
-                )
-            with open(self._server_log_path) as f:
-                if ready_marker in f.read():
-                    break
-            time.sleep(0.5)
-        else:
-            self.estimator_process.terminate()
-            log_contents = open(self._server_log_path).read()
-            pytest.fail(
-                "Evaluator server did not start within 120 seconds. Log:\n%s"
-                % log_contents[-2000:]
-            )
+        self._start_evaluator_server()
         self.input_file = 'optimize.in'
         self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
-
-    def teardown_method(self):
-        self.estimator_process.terminate()
-        self._server_log.close()
-        if os.path.exists(self._server_log_path):
-            os.remove(self._server_log_path)
-        for dnm in ["working_directory", "stored_data"]:
-            if os.path.exists(dnm):
-                shutil.rmtree(dnm)
-        super(TestEvaluatorWaterVSiteStudy, self).teardown_method()
+        self.expected_results_name = "EXPECTED_VSITE_VDW_PARAMETERS"
+        self.expected_results = EXPECTED_VSITE_VDW_PARAMETERS
+        self.absolute_tolerance = 0.02
 
     def test_water_vsite_study(self):
         """Check water virtual site study produces objective function and gradient in expected range"""
-        objective = self.get_objective()
-        try:
-            data = objective.Full(np.zeros(objective.FF.np), 1, verbose=True)
-        except Exception as exc:
-            self._server_log.flush()
-            log_contents = open(self._server_log_path).read()
-            raise RuntimeError(
-                "objective.Full raised %s: %s\nServer log (last 2000 chars):\n%s"
-                % (type(exc).__name__, exc, log_contents[-2000:])
-            ) from exc
-        X, G, H = data['X'], data['G'], data['H']
-        msgX = ("\nCalculated objective function is outside expected range.\n"
-                " If this seems reasonable, update EXPECTED_EVALUATOR_WATER_VSITE_OBJECTIVE"
-                " in test_system.py with these values")
-        np.testing.assert_allclose(EXPECTED_EVALUATOR_WATER_VSITE_OBJECTIVE, X, atol=1e6, err_msg=msgX)
-        msgG = ("\nCalculated gradient is outside expected range.\n"
-                " If this seems reasonable, update EXPECTED_EVALUATOR_WATER_VSITE_GRADIENT"
-                " in test_system.py with these values")
-        np.testing.assert_allclose(EXPECTED_EVALUATOR_WATER_VSITE_GRADIENT, G, atol=1e6, err_msg=msgG)
+        self.run_optimizer(check_result=False, use_pvals=True)
+
+
+@skip_openff_py39
+class TestWaterVSiteGradients(ForceBalanceSystemTest):
+    """Test that AbInitio_SMIRNOFF and AbInitio_OpenMM give identical
+    objective values for TIP4P-FB and TIP5P water at mvals=0.
+    
+    This basically tests the Toolkit and Interchange parsing of virtual sites.
+    """
+
+    def setup_method(self, method):
+        pytest.importorskip("openff.toolkit")
+        super(TestWaterVSiteGradients, self).setup_method(method)
+        cwd = os.path.dirname(os.path.realpath(__file__))
+        os.chdir(os.path.join(cwd, '..', '..', 'studies',
+                              '029_smirnoff_vs_openmm_water_vsite'))
+        self.study_directory = os.getcwd()
+        self.atol = 1e-6
+
+    def _eval(self, input_file):
+        """Parse input_file, build objective, evaluate at mvals=0, return (X, G)."""
+        options, tgt_opts = parse_inputs(input_file)
+        ff  = FF(options)
+        obj = Objective(options, tgt_opts, ff)
+        data = obj.Full(np.zeros(ff.np), Order=1, verbose=True)
+        return data['X'], data['G']
+
+    def test_tip4p_smirnoff(self):
+        """AbInitio_SMIRNOFF objective for TIP4P-FB is in expected range."""
+        X, G = self._eval('gradient_tip4p_smirnoff.in')
+        np.testing.assert_allclose(
+            EXPECTED_TIP4P_OBJECTIVE, X, atol=self.atol,
+            err_msg="TIP4P SMIRNOFF objective changed; update EXPECTED_TIP4P_OBJECTIVE"
+        )
+
+    def test_tip4p_openmm(self):
+        """AbInitio_OpenMM objective for TIP4P-FB matches SMIRNOFF value."""
+        X, G = self._eval('gradient_tip4p_openmm.in')
+        np.testing.assert_allclose(
+            EXPECTED_TIP4P_OBJECTIVE, X, atol=self.atol,
+            err_msg="TIP4P OpenMM objective changed; update EXPECTED_TIP4P_OBJECTIVE"
+        )
+
+    def test_tip5p_smirnoff(self):
+        """AbInitio_SMIRNOFF objective for TIP5P is in expected range."""
+        X, G = self._eval('gradient_tip5p_smirnoff.in')
+        np.testing.assert_allclose(
+            EXPECTED_TIP5P_OBJECTIVE, X, atol=self.atol,
+            err_msg="TIP5P SMIRNOFF objective changed; update EXPECTED_TIP5P_OBJECTIVE"
+        )
+
+    def test_tip5p_openmm(self):
+        """AbInitio_OpenMM objective for TIP5P matches SMIRNOFF value."""
+        X, G = self._eval('gradient_tip5p_openmm.in')
+        np.testing.assert_allclose(
+            EXPECTED_TIP5P_OBJECTIVE, X, atol=self.atol,
+            err_msg="TIP5P OpenMM objective changed; update EXPECTED_TIP5P_OBJECTIVE"
+        )
\ No newline at end of file
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/.gitignore b/studies/028_smirnoff_tip4p_geometry_fit/.gitignore
new file mode 100644
index 000000000..5bba3fece
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/.gitignore
@@ -0,0 +1,3 @@
+stored_data
+smirnoff_parameter_assignments.json
+working-directory
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml b/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml
index d9b5b5746..f46470bcc 100644
--- a/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml
+++ b/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml
@@ -1,140 +1,399 @@
 <?xml version="1.0" encoding="utf-8"?>
 <SMIRNOFF version="0.3" aromaticity_model="OEAroModel_MDL">
+    <Author>The Open Force Field Initiative</Author>
+    <Date>2024-09-11</Date>
+    <Constraints version="0.3">
+        <Constraint smirks="[#1:1]-[*:2]" id="c1"></Constraint>
+        <Constraint smirks="[#1:1]-[#8X2H2+0:2]-[#1]" id="c-tip4p-fb-H-O" distance="0.09572 * nanometer ** 1"></Constraint>
+        <Constraint smirks="[#1:1]-[#8X2H2+0]-[#1:2]" id="c-tip4p-fb-H-O-H" distance="0.15139006545247014 * nanometer ** 1"></Constraint>
+    </Constraints>
+    <Bonds version="0.4" potential="harmonic" fractional_bondorder_method="AM1-Wiberg" fractional_bondorder_interpolation="linear">
+        <Bond smirks="[#6X4:1]-[#6X4:2]" id="b1" length="1.533682189836 * angstrom ** 1" k="430.4753865522 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X4:1]-[#6X3:2]" id="b2" length="1.509906088505 * angstrom ** 1" k="478.5938624291 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X4:1]-[#6X3:2]=[#8X1+0]" id="b3" length="1.529107327625 * angstrom ** 1" k="404.5865966221 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1]-[#6X3:2]" id="b4" length="1.467813669186 * angstrom ** 1" k="534.9004011769 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1]:[#6X3:2]" id="b5" length="1.400774190845 * angstrom ** 1" k="753.9544105052 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1]=[#6X3:2]" id="b6" length="1.373322617043 * angstrom ** 1" k="904.1364741993 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6:1]-[#7:2]" id="b7" length="1.477165026987 * angstrom ** 1" k="451.7828325538 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1]-[#7X3:2]" id="b8" length="1.389594660959 * angstrom ** 1" k="658.1801467822 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X4:1]-[#7X3:2]-[#6X3]=[#8X1+0]" id="b9" length="1.462245031202 * angstrom ** 1" k="482.1993321972 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1](=[#8X1+0])-[#7X3:2]" id="b10" length="1.383769967656 * angstrom ** 1" k="653.6221669084 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1]-[#7X2:2]" id="b11" length="1.386672489657 * angstrom ** 1" k="591.2548047458 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1]:[#7X2,#7X3+1:2]" id="b12" length="1.33886585269 * angstrom ** 1" k="774.2142430322 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1]=[#7X2,#7X3+1:2]" id="b13" length="1.309432162522 * angstrom ** 1" k="1010.077064463 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1](~!@[#7X3])(~!@[#7X3])~!@[#7X3:2]" id="b13a" length="1.304468222569 * angstrom ** 1" k="1171.510786135 * angstrom ** -2 * kilocalorie ** 1 * mole ** -1"></Bond>
+        <Bond smirks="[#6:1]-[#8:2]" id="b14" length="1.426266491513 * angstrom ** 1" k="517.8617699655 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1]-[#8X1-1:2]" id="b15" length="1.277699358105 * angstrom ** 1" k="1088.638846712 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X4:1]-[#8X2H0:2]" id="b16" length="1.436180856692 * angstrom ** 1" k="454.1320522181 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1]-[#8X2:2]" id="b17" length="1.363426903656 * angstrom ** 1" k="587.3836433911 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1]-[#8X2H1:2]" id="b18" length="1.360244387751 * angstrom ** 1" k="693.0598968819 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3a:1]-[#8X2H0:2]" id="b19" length="1.372247415038 * angstrom ** 1" k="637.4545605882 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1](=[#8X1])-[#8X2H0:2]" id="b20" length="1.356044214791 * angstrom ** 1" k="582.6874028895 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6:1]=[#8X1+0,#8X2+1:2]" id="b21" length="1.224819310402 * angstrom ** 1" k="1523.990238252 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1](~[#8X1])~[#8X1:2]" id="b22" length="1.260025492548 * angstrom ** 1" k="1181.508839358 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
+        <Bond smirks="[#6X3:1]~[#8X2+1:2]~[#6X3]" id="b23" length="1.3571444823426182 * angstrom ** 1" k="609.7328918443294 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
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+    </ProperTorsions>
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+        <Improper smirks="[*:1]~[#7X3$(*~[#15,#16](!-[*])):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree ** 1" k1="13.6446181897 * kilocalorie ** 1 * mole ** -1" id="i3"></Improper>
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+        <Improper smirks="[*:1]~[#6X3:2](=[#7X2,#7X3+1:3])~[#7:4]" periodicity1="2" phase1="180.0 * degree ** 1" k1="10.02987224683 * kilocalorie ** 1 * mole ** -1" id="i7"></Improper>
+    </ImproperTorsions>
     <vdW version="0.4" potential="Lennard-Jones-12-6" combining_rules="Lorentz-Berthelot" scale12="0.0" scale13="0.0" scale14="0.5" scale15="1.0" cutoff="9.0 * angstrom ** 1" switch_width="1.0 * angstrom ** 1" periodic_method="cutoff" nonperiodic_method="no-cutoff">
-        <Atom smirks="[#1]-[#8X2H2+0:1]-[#1]" epsilon="0.7492790213533 * kilojoule_per_mole ** 1" id="n-tip4p-fb-O" sigma="0.3165552430462 * nanometer ** 1"></Atom>
+        <Atom smirks="[#1:1]" epsilon="0.0157 * kilocalorie ** 1 * mole ** -1" id="n1" rmin_half="0.6 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X4]" epsilon="0.01577948280971 * kilocalorie ** 1 * mole ** -1" id="n2" rmin_half="1.48419980825 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X4]-[#7,#8,#9,#16,#17,#35]" epsilon="0.01640924602775 * kilocalorie ** 1 * mole ** -1" id="n3" rmin_half="1.449786411317 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]" epsilon="0.0157 * kilocalorie ** 1 * mole ** -1" id="n4" rmin_half="1.287 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])(-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]" epsilon="0.0157 * kilocalorie ** 1 * mole ** -1" id="n5" rmin_half="1.187 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X4]~[*+1,*+2]" epsilon="0.0157 * kilocalorie ** 1 * mole ** -1" id="n6" rmin_half="1.1 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X3]" epsilon="0.01561134320353 * kilocalorie ** 1 * mole ** -1" id="n7" rmin_half="1.443812569645 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X3]~[#7,#8,#9,#16,#17,#35]" epsilon="0.01310699839698 * kilocalorie ** 1 * mole ** -1" id="n8" rmin_half="1.377051329051 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X3](~[#7,#8,#9,#16,#17,#35])~[#7,#8,#9,#16,#17,#35]" epsilon="0.01479744504464 * kilocalorie ** 1 * mole ** -1" id="n9" rmin_half="1.370482808197 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X2]" epsilon="0.015 * kilocalorie ** 1 * mole ** -1" id="n10" rmin_half="1.459 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#7]" epsilon="0.01409081474669 * kilocalorie ** 1 * mole ** -1" id="n11" rmin_half="0.6192778454102 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#8]" epsilon="1.232599966667e-05 * kilocalorie ** 1 * mole ** -1" id="n12" rmin_half="0.2999999999997 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#16]" epsilon="0.0157 * kilocalorie ** 1 * mole ** -1" id="n13" rmin_half="0.6 * angstrom ** 1"></Atom>
+        <Atom smirks="[#6:1]" epsilon="0.0868793154488 * kilocalorie ** 1 * mole ** -1" id="n14" rmin_half="1.953447017081 * angstrom ** 1"></Atom>
+        <Atom smirks="[#6X2:1]" epsilon="0.21 * kilocalorie ** 1 * mole ** -1" id="n15" rmin_half="1.908 * angstrom ** 1"></Atom>
+        <Atom smirks="[#6X4:1]" epsilon="0.2088406109251 * kilocalorie ** 1 * mole ** -1" id="n16" sigma="3.4795317616266206 * angstrom ** 1" parameterize="epsilon,sigma"></Atom>
+        <Atom smirks="[#8:1]" epsilon="0.2102061007896 * kilocalorie ** 1 * mole ** -1" id="n17" rmin_half="1.706036917087 * angstrom ** 1"></Atom>
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+        <Atom smirks="[#8X2H1+0:1]" epsilon="0.2094735324129 * kilocalorie ** 1 * mole ** -1" id="n19" rmin_half="1.682099169199 * angstrom ** 1"></Atom>
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+        <Atom smirks="[#16:1]" epsilon="0.25 * kilocalorie ** 1 * mole ** -1" id="n21" rmin_half="2.0 * angstrom ** 1"></Atom>
+        <Atom smirks="[#15:1]" epsilon="0.2 * kilocalorie ** 1 * mole ** -1" id="n22" rmin_half="2.1 * angstrom ** 1"></Atom>
+        <Atom smirks="[#9:1]" epsilon="0.061 * kilocalorie ** 1 * mole ** -1" id="n23" rmin_half="1.75 * angstrom ** 1"></Atom>
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+        <Atom smirks="[#35:1]" epsilon="0.3218986365974 * kilocalorie ** 1 * mole ** -1" id="n25" rmin_half="1.969806594135 * angstrom ** 1"></Atom>
+        <Atom smirks="[#53:1]" epsilon="0.4 * kilocalorie ** 1 * mole ** -1" id="n26" rmin_half="2.35 * angstrom ** 1"></Atom>
+        <Atom smirks="[#3+1:1]" epsilon="0.0279896 * kilocalorie ** 1 * mole ** -1" id="n27" rmin_half="1.025 * angstrom ** 1"></Atom>
+        <Atom smirks="[#11+1:1]" epsilon="0.0874393 * kilocalorie ** 1 * mole ** -1" id="n28" rmin_half="1.369 * angstrom ** 1"></Atom>
+        <Atom smirks="[#19+1:1]" epsilon="0.1936829 * kilocalorie ** 1 * mole ** -1" id="n29" rmin_half="1.705 * angstrom ** 1"></Atom>
+        <Atom smirks="[#37+1:1]" epsilon="0.3278219 * kilocalorie ** 1 * mole ** -1" id="n30" rmin_half="1.813 * angstrom ** 1"></Atom>
+        <Atom smirks="[#55+1:1]" epsilon="0.4065394 * kilocalorie ** 1 * mole ** -1" id="n31" rmin_half="1.976 * angstrom ** 1"></Atom>
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+        <Atom smirks="[#17X0-1:1]" epsilon="0.035591 * kilocalorie ** 1 * mole ** -1" id="n33" rmin_half="2.513 * angstrom ** 1"></Atom>
+        <Atom smirks="[#35X0-1:1]" epsilon="0.0586554 * kilocalorie ** 1 * mole ** -1" id="n34" rmin_half="2.608 * angstrom ** 1"></Atom>
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+        <Atom smirks="[#1]-[#8X2H2+0:1]-[#1]" epsilon="0.7492790213533 * kilojoule_per_mole ** 1" id="n-tip4p-fb-O" sigma="0.3165552430462 * nanometer ** 1" parameterize="epsilon,sigma"></Atom>
         <Atom smirks="[#1:1]-[#8X2H2+0]-[#1]" epsilon="0.0 * kilocalorie_per_mole ** 1" id="n-tip4p-fb-H" sigma="1.0 * nanometer ** 1"></Atom>
-        <Atom smirks="[#3X0+1:1]" epsilon="0.00209587 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Li+" rmin_half="1.24 * angstrom ** 1"></Atom>
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-        <Atom smirks="[#29X0+2:1]" epsilon="0.00089969 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cu2+" rmin_half="1.181 * angstrom ** 1"></Atom>
-        <Atom smirks="[#28X0+2:1]" epsilon="0.00136949 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ni2+" rmin_half="1.213 * angstrom ** 1"></Atom>
-        <Atom smirks="[#78X0+2:1]" epsilon="0.00176831 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pt2+" rmin_half="1.229 * angstrom ** 1"></Atom>
-        <Atom smirks="[#30X0+2:1]" epsilon="0.00191142 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Zn2+" rmin_half="1.234 * angstrom ** 1"></Atom>
-        <Atom smirks="[#27X0+2:1]" epsilon="0.00359255 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Co2+" rmin_half="1.277 * angstrom ** 1"></Atom>
-        <Atom smirks="[#46X0+2:1]" epsilon="0.00384964 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pd2+" rmin_half="1.282 * angstrom ** 1"></Atom>
-        <Atom smirks="[#47X0+2:1]" epsilon="0.00602547 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ag2+" rmin_half="1.316 * angstrom ** 1"></Atom>
-        <Atom smirks="[#24X0+2:1]" epsilon="0.00691068 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cr2+" rmin_half="1.327 * angstrom ** 1"></Atom>
-        <Atom smirks="[#26X0+2:1]" epsilon="0.00752608 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Fe2+" rmin_half="1.334 * angstrom ** 1"></Atom>
-        <Atom smirks="[#12X0+2:1]" epsilon="0.00828195 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Mg2+" rmin_half="1.342 * angstrom ** 1"></Atom>
-        <Atom smirks="[#23X0+2:1]" epsilon="0.00858042 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-V2+" rmin_half="1.345 * angstrom ** 1"></Atom>
-        <Atom smirks="[#25X0+2:1]" epsilon="0.01476261 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Mn2+" rmin_half="1.394 * angstrom ** 1"></Atom>
-        <Atom smirks="[#80X0+2:1]" epsilon="0.01476261 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Hg2+" rmin_half="1.394 * angstrom ** 1"></Atom>
-        <Atom smirks="[#48X0+2:1]" epsilon="0.01538757 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cd2+" rmin_half="1.398 * angstrom ** 1"></Atom>
-        <Atom smirks="[#70X0+2:1]" epsilon="0.09019198 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Yb2+" rmin_half="1.621 * angstrom ** 1"></Atom>
-        <Atom smirks="[#20X0+2:1]" epsilon="0.09344247 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ca2+" rmin_half="1.627 * angstrom ** 1"></Atom>
-        <Atom smirks="[#50X0+2:1]" epsilon="0.10359269 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Sn2+" rmin_half="1.645 * angstrom ** 1"></Atom>
-        <Atom smirks="[#82X0+2:1]" epsilon="0.15773029 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pb2+" rmin_half="1.728 * angstrom ** 1"></Atom>
-        <Atom smirks="[#63X0+2:1]" epsilon="0.19865859 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Eu2+" rmin_half="1.782 * angstrom ** 1"></Atom>
-        <Atom smirks="[#38X0+2:1]" epsilon="0.20424131 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Sr2+" rmin_half="1.789 * angstrom ** 1"></Atom>
-        <Atom smirks="[#62X0+2:1]" epsilon="0.20988115 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Sm2+" rmin_half="1.796 * angstrom ** 1"></Atom>
-        <Atom smirks="[#56X0+2:1]" epsilon="0.38216886 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ba2+" rmin_half="1.992 * angstrom ** 1"></Atom>
-        <Atom smirks="[#88X0+2:1]" epsilon="0.38216886 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ra2+" rmin_half="1.992 * angstrom ** 1"></Atom>
-        <Atom smirks="[#13X0+3:1]" epsilon="0.00312065 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Al3+" rmin_half="1.267 * angstrom ** 1"></Atom>
-        <Atom smirks="[#26X0+3:1]" epsilon="0.01636246 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Fe3+" rmin_half="1.404 * angstrom ** 1"></Atom>
-        <Atom smirks="[#24X0+3:1]" epsilon="0.00858042 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cr3+" rmin_half="1.345 * angstrom ** 1"></Atom>
-        <Atom smirks="[#49X0+3:1]" epsilon="0.02387506 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-In3+" rmin_half="1.443 * angstrom ** 1"></Atom>
-        <Atom smirks="[#81X0+3:1]" epsilon="0.03537062 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Tl3+" rmin_half="1.488 * angstrom ** 1"></Atom>
-        <Atom smirks="[#39X0+3:1]" epsilon="0.07117158 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Y3+" rmin_half="1.583 * angstrom ** 1"></Atom>
-        <Atom smirks="[#57X0+3:1]" epsilon="0.1485017 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-La3+" rmin_half="1.715 * angstrom ** 1"></Atom>
-        <Atom smirks="[#58X0+3:1]" epsilon="0.16500296 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ce3+" rmin_half="1.738 * angstrom ** 1"></Atom>
-        <Atom smirks="[#59X0+3:1]" epsilon="0.1598965 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pr3+" rmin_half="1.731 * angstrom ** 1"></Atom>
-        <Atom smirks="[#60X0+3:1]" epsilon="0.12180998 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Nd3+" rmin_half="1.675 * angstrom ** 1"></Atom>
-        <Atom smirks="[#62X0+3:1]" epsilon="0.10651723 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Sm3+" rmin_half="1.65 * angstrom ** 1"></Atom>
-        <Atom smirks="[#63X0+3:1]" epsilon="0.11129023 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Eu3+" rmin_half="1.658 * angstrom ** 1"></Atom>
-        <Atom smirks="[#64X0+3:1]" epsilon="0.08337961 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Gd3+" rmin_half="1.608 * angstrom ** 1"></Atom>
-        <Atom smirks="[#65X0+3:1]" epsilon="0.08806221 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Tb3+" rmin_half="1.617 * angstrom ** 1"></Atom>
-        <Atom smirks="[#66X0+3:1]" epsilon="0.07543075 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Dy3+" rmin_half="1.592 * angstrom ** 1"></Atom>
-        <Atom smirks="[#68X0+3:1]" epsilon="0.07117158 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Er3+" rmin_half="1.583 * angstrom ** 1"></Atom>
-        <Atom smirks="[#69X0+3:1]" epsilon="0.07117158 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Tm3+" rmin_half="1.583 * angstrom ** 1"></Atom>
-        <Atom smirks="[#71X0+3:1]" epsilon="0.06397679 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Lu3+" rmin_half="1.567 * angstrom ** 1"></Atom>
-        <Atom smirks="[#72X0+4:1]" epsilon="0.02960343 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Hf4+" rmin_half="1.467 * angstrom ** 1"></Atom>
-        <Atom smirks="[#40X0+4:1]" epsilon="0.03745682 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Zr4+" rmin_half="1.495 * angstrom ** 1"></Atom>
-        <Atom smirks="[#58X0+4:1]" epsilon="0.13282966 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ce4+" rmin_half="1.692 * angstrom ** 1"></Atom>
-        <Atom smirks="[#92X0+4:1]" epsilon="0.13282966 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-U4+" rmin_half="1.692 * angstrom ** 1"></Atom>
-        <Atom smirks="[#94X0+4:1]" epsilon="0.11679623 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pu4+" rmin_half="1.667 * angstrom ** 1"></Atom>
-        <Atom smirks="[#90X0+4:1]" epsilon="0.14433113 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Th4+" rmin_half="1.709 * angstrom ** 1"></Atom>
     </vdW>
+    <Electrostatics version="0.4" scale12="0.0" scale13="0.0" scale14="0.8333333333" scale15="1.0" cutoff="9.0 * angstrom ** 1" switch_width="0.0 * angstrom ** 1" periodic_potential="Ewald3D-ConductingBoundary" nonperiodic_potential="Coulomb" exception_potential="Coulomb"></Electrostatics>
     <LibraryCharges version="0.3">
+        <LibraryCharge smirks="[#3+1:1]" charge1="1.0 * elementary_charge ** 1" id="Li+"></LibraryCharge>
+        <LibraryCharge smirks="[#11+1:1]" charge1="1.0 * elementary_charge ** 1" id="Na+"></LibraryCharge>
+        <LibraryCharge smirks="[#19+1:1]" charge1="1.0 * elementary_charge ** 1" id="K+"></LibraryCharge>
+        <LibraryCharge smirks="[#37+1:1]" charge1="1.0 * elementary_charge ** 1" id="Rb+"></LibraryCharge>
+        <LibraryCharge smirks="[#55+1:1]" charge1="1.0 * elementary_charge ** 1" id="Cs+"></LibraryCharge>
+        <LibraryCharge smirks="[#9X0-1:1]" charge1="-1.0 * elementary_charge ** 1" id="F-"></LibraryCharge>
+        <LibraryCharge smirks="[#17X0-1:1]" charge1="-1.0 * elementary_charge ** 1" id="Cl-"></LibraryCharge>
+        <LibraryCharge smirks="[#35X0-1:1]" charge1="-1.0 * elementary_charge ** 1" id="Br-"></LibraryCharge>
+        <LibraryCharge smirks="[#53X0-1:1]" charge1="-1.0 * elementary_charge ** 1" id="I-"></LibraryCharge>
+        <LibraryCharge smirks="[#54:1]" charge1="0.0 * elementary_charge ** 1" id="Xe"></LibraryCharge>
         <LibraryCharge smirks="[#1]-[#8X2H2+0:1]-[#1]" charge1="0 * elementary_charge ** 1" id="q-tip4p-fb-O"></LibraryCharge>
         <LibraryCharge smirks="[#1:1]-[#8X2H2+0]-[#1]" charge1="0 * elementary_charge ** 1" id="q-tip4p-fb-H"></LibraryCharge>
-        <LibraryCharge smirks="[#3X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Li+"></LibraryCharge>
-        <LibraryCharge smirks="[#11X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Na+"></LibraryCharge>
-        <LibraryCharge smirks="[#19X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-K+"></LibraryCharge>
-        <LibraryCharge smirks="[#37X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Rb+"></LibraryCharge>
-        <LibraryCharge smirks="[#55X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cs+"></LibraryCharge>
-        <LibraryCharge smirks="[#81X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Tl+"></LibraryCharge>
-        <LibraryCharge smirks="[#29X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cu+"></LibraryCharge>
-        <LibraryCharge smirks="[#47X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ag+"></LibraryCharge>
-        <LibraryCharge smirks="[#9X0-1:1]" charge1="-1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-F-"></LibraryCharge>
-        <LibraryCharge smirks="[#17X0-1:1]" charge1="-1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cl-"></LibraryCharge>
-        <LibraryCharge smirks="[#35X0-1:1]" charge1="-1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Br-"></LibraryCharge>
-        <LibraryCharge smirks="[#53X0-1:1]" charge1="-1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-I-"></LibraryCharge>
-        <LibraryCharge smirks="[#4X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Be2+"></LibraryCharge>
-        <LibraryCharge smirks="[#29X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cu2+"></LibraryCharge>
-        <LibraryCharge smirks="[#28X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ni2+"></LibraryCharge>
-        <LibraryCharge smirks="[#78X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pt2+"></LibraryCharge>
-        <LibraryCharge smirks="[#30X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Zn2+"></LibraryCharge>
-        <LibraryCharge smirks="[#27X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Co2+"></LibraryCharge>
-        <LibraryCharge smirks="[#46X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pd2+"></LibraryCharge>
-        <LibraryCharge smirks="[#47X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ag2+"></LibraryCharge>
-        <LibraryCharge smirks="[#24X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cr2+"></LibraryCharge>
-        <LibraryCharge smirks="[#26X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Fe2+"></LibraryCharge>
-        <LibraryCharge smirks="[#12X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Mg2+"></LibraryCharge>
-        <LibraryCharge smirks="[#23X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-V2+"></LibraryCharge>
-        <LibraryCharge smirks="[#25X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Mn2+"></LibraryCharge>
-        <LibraryCharge smirks="[#80X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Hg2+"></LibraryCharge>
-        <LibraryCharge smirks="[#48X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cd2+"></LibraryCharge>
-        <LibraryCharge smirks="[#70X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Yb2+"></LibraryCharge>
-        <LibraryCharge smirks="[#20X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ca2+"></LibraryCharge>
-        <LibraryCharge smirks="[#50X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Sn2+"></LibraryCharge>
-        <LibraryCharge smirks="[#82X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pb2+"></LibraryCharge>
-        <LibraryCharge smirks="[#63X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Eu2+"></LibraryCharge>
-        <LibraryCharge smirks="[#38X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Sr2+"></LibraryCharge>
-        <LibraryCharge smirks="[#62X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Sm2+"></LibraryCharge>
-        <LibraryCharge smirks="[#56X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ba2+"></LibraryCharge>
-        <LibraryCharge smirks="[#88X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ra2+"></LibraryCharge>
-        <LibraryCharge smirks="[#13X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Al3+"></LibraryCharge>
-        <LibraryCharge smirks="[#26X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Fe3+"></LibraryCharge>
-        <LibraryCharge smirks="[#24X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cr3+"></LibraryCharge>
-        <LibraryCharge smirks="[#49X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-In3+"></LibraryCharge>
-        <LibraryCharge smirks="[#81X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Tl3+"></LibraryCharge>
-        <LibraryCharge smirks="[#39X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Y3+"></LibraryCharge>
-        <LibraryCharge smirks="[#57X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-La3+"></LibraryCharge>
-        <LibraryCharge smirks="[#58X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ce3+"></LibraryCharge>
-        <LibraryCharge smirks="[#59X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pr3+"></LibraryCharge>
-        <LibraryCharge smirks="[#60X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Nd3+"></LibraryCharge>
-        <LibraryCharge smirks="[#62X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Sm3+"></LibraryCharge>
-        <LibraryCharge smirks="[#63X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Eu3+"></LibraryCharge>
-        <LibraryCharge smirks="[#64X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Gd3+"></LibraryCharge>
-        <LibraryCharge smirks="[#65X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Tb3+"></LibraryCharge>
-        <LibraryCharge smirks="[#66X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Dy3+"></LibraryCharge>
-        <LibraryCharge smirks="[#68X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Er3+"></LibraryCharge>
-        <LibraryCharge smirks="[#69X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Tm3+"></LibraryCharge>
-        <LibraryCharge smirks="[#71X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Lu3+"></LibraryCharge>
-        <LibraryCharge smirks="[#72X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Hf4+"></LibraryCharge>
-        <LibraryCharge smirks="[#40X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Zr4+"></LibraryCharge>
-        <LibraryCharge smirks="[#58X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ce4+"></LibraryCharge>
-        <LibraryCharge smirks="[#92X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-U4+"></LibraryCharge>
-        <LibraryCharge smirks="[#94X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pu4+"></LibraryCharge>
-        <LibraryCharge smirks="[#90X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Th4+"></LibraryCharge>
     </LibraryCharges>
-    <Electrostatics version="0.4" scale12="0.0" scale13="0.0" scale14="0.8333333333" scale15="1.0" cutoff="9.0 * angstrom ** 1" switch_width="0.0 * angstrom ** 1" periodic_potential="Ewald3D-ConductingBoundary" nonperiodic_potential="Coulomb" exception_potential="Coulomb"></Electrostatics>
-    <Constraints version="0.3">
-        <Constraint smirks="[#1:1]-[#8X2H2+0:2]-[#1]" id="c-tip4p-fb-H-O" distance="0.09572 * nanometer ** 1"></Constraint>
-        <Constraint smirks="[#1:1]-[#8X2H2+0]-[#1:2]" id="c-tip4p-fb-H-O-H" distance="0.15139006545247014 * nanometer ** 1"></Constraint>
-    </Constraints>
+    <ToolkitAM1BCC version="0.3"></ToolkitAM1BCC>
     <VirtualSites version="0.3" exclusion_policy="parents">
-        <VirtualSite smirks="[#1:2]-[#8X2H2+0:1]-[#1:3]" epsilon="0.0 * kilocalorie_per_mole ** 1" type="DivalentLonePair" match="once" distance="-0.2 * nanometer ** 1" outOfPlaneAngle="0.0 * degree ** 1" inPlaneAngle="None" charge_increment1="0.0 * elementary_charge ** 1" charge_increment2="1.0 * elementary_charge ** 1" charge_increment3="1.0 * elementary_charge ** 1" sigma="1.0 * angstrom ** 1" name="EP" parameterize="distance,charge_increment2" parameter_eval="charge_increment3=PRM['VirtualSites/VirtualSite/charge_increment2/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/once']"></VirtualSite>
-        <VirtualSite smirks="[#1:2]-[#8X2H2+0:1]-[#1:3]" epsilon="0.0 * kilocalorie_per_mole ** 1" type="DivalentLonePair" match="all_permutations" distance="0.2 * nanometer ** 1" outOfPlaneAngle="70 * degree ** 1" inPlaneAngle="None" charge_increment1="0 * elementary_charge ** 1" charge_increment2="0.0 * elementary_charge ** 1" charge_increment3="0.0 * elementary_charge ** 1" sigma="1.0 * angstrom ** 1" name="EP-L" parameterize="distance,outOfPlaneAngle" parameter_eval="charge_increment2=-0.5*PRM['VirtualSites/VirtualSite/charge_increment2/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/once'], charge_increment3=-0.5*PRM['VirtualSites/VirtualSite/charge_increment2/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/once']"></VirtualSite>
+        <VirtualSite smirks="[#1:2]-[#8X2H2+0:1]-[#1:3]" epsilon="0.0 * kilocalorie_per_mole ** 1" type="DivalentLonePair" match="once" distance="-0.010527445756662016 * nanometer ** 1" outOfPlaneAngle="0.0 * degree ** 1" inPlaneAngle="None" charge_increment1="0.0 * elementary_charge ** 1" charge_increment2="0.5758681106763001 * elementary_charge ** 1" charge_increment3="0.5758681106763001 * elementary_charge ** 1" sigma="1.0 * angstrom ** 1" name="EP" parameterize="distance,charge_increment2" parameter_eval="charge_increment3=PRM['VirtualSites/VirtualSite/charge_increment2/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/once']"></VirtualSite>
+        <VirtualSite smirks="[#1:2]-[#8X2H2+0:1]-[#1:3]" epsilon="0.0 * kilocalorie_per_mole ** 1" type="DivalentLonePair" match="all_permutations" distance="0.09572 * nanometer ** 1" outOfPlaneAngle="52.25999999987184 * degree ** 1" inPlaneAngle="None" charge_increment1="0 * elementary_charge ** 1" charge_increment2="-0.28793405533815003 * elementary_charge ** 1" charge_increment3="-0.28793405533815003 * elementary_charge ** 1" sigma="1.0 * angstrom ** 1" name="EP-L"></VirtualSite>
     </VirtualSites>
 </SMIRNOFF>
\ No newline at end of file
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/forcefield/tip4p_fb.offxml b/studies/028_smirnoff_tip4p_geometry_fit/forcefield/tip4p_fb.offxml
new file mode 100644
index 000000000..acdc3c863
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/forcefield/tip4p_fb.offxml
@@ -0,0 +1,139 @@
+<?xml version="1.0" encoding="utf-8"?>
+<SMIRNOFF version="0.3" aromaticity_model="OEAroModel_MDL">
+    <vdW version="0.4" potential="Lennard-Jones-12-6" combining_rules="Lorentz-Berthelot" scale12="0.0" scale13="0.0" scale14="0.5" scale15="1.0" cutoff="9.0 * angstrom ** 1" switch_width="1.0 * angstrom ** 1" periodic_method="cutoff" nonperiodic_method="no-cutoff">
+        <Atom smirks="[#1]-[#8X2H2+0:1]-[#1]" epsilon="0.7492790213533 * kilojoule_per_mole ** 1" id="n-tip4p-fb-O" sigma="0.3165552430462 * nanometer ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#8X2H2+0]-[#1]" epsilon="0.0 * kilocalorie_per_mole ** 1" id="n-tip4p-fb-H" sigma="1.0 * nanometer ** 1"></Atom>
+        <Atom smirks="[#3X0+1:1]" epsilon="0.00209587 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Li+" rmin_half="1.24 * angstrom ** 1"></Atom>
+        <Atom smirks="[#11X0+1:1]" epsilon="0.02499549 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Na+" rmin_half="1.448 * angstrom ** 1"></Atom>
+        <Atom smirks="[#19X0+1:1]" epsilon="0.1282327 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-K+" rmin_half="1.685 * angstrom ** 1"></Atom>
+        <Atom smirks="[#37X0+1:1]" epsilon="0.20907204 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Rb+" rmin_half="1.795 * angstrom ** 1"></Atom>
+        <Atom smirks="[#55X0+1:1]" epsilon="0.34401021 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cs+" rmin_half="1.95 * angstrom ** 1"></Atom>
+        <Atom smirks="[#81X0+1:1]" epsilon="0.11617738 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Tl+" rmin_half="1.666 * angstrom ** 1"></Atom>
+        <Atom smirks="[#29X0+1:1]" epsilon="0.00067804 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cu+" rmin_half="1.172 * angstrom ** 1"></Atom>
+        <Atom smirks="[#47X0+1:1]" epsilon="0.0058006 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ag+" rmin_half="1.313 * angstrom ** 1"></Atom>
+        <Atom smirks="[#9X0-1:1]" epsilon="0.25078 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-F-" rmin_half="1.845 * angstrom ** 1"></Atom>
+        <Atom smirks="[#17X0-1:1]" epsilon="0.64716164 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cl-" rmin_half="2.313 * angstrom ** 1"></Atom>
+        <Atom smirks="[#35X0-1:1]" epsilon="0.73554824 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Br-" rmin_half="2.454 * angstrom ** 1"></Atom>
+        <Atom smirks="[#53X0-1:1]" epsilon="0.87867445 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-I-" rmin_half="2.804 * angstrom ** 1"></Atom>
+        <Atom smirks="[#4X0+2:1]" epsilon="1.42e-06 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Be2+" rmin_half="0.924 * angstrom ** 1"></Atom>
+        <Atom smirks="[#29X0+2:1]" epsilon="0.00089969 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cu2+" rmin_half="1.181 * angstrom ** 1"></Atom>
+        <Atom smirks="[#28X0+2:1]" epsilon="0.00136949 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ni2+" rmin_half="1.213 * angstrom ** 1"></Atom>
+        <Atom smirks="[#78X0+2:1]" epsilon="0.00176831 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pt2+" rmin_half="1.229 * angstrom ** 1"></Atom>
+        <Atom smirks="[#30X0+2:1]" epsilon="0.00191142 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Zn2+" rmin_half="1.234 * angstrom ** 1"></Atom>
+        <Atom smirks="[#27X0+2:1]" epsilon="0.00359255 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Co2+" rmin_half="1.277 * angstrom ** 1"></Atom>
+        <Atom smirks="[#46X0+2:1]" epsilon="0.00384964 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pd2+" rmin_half="1.282 * angstrom ** 1"></Atom>
+        <Atom smirks="[#47X0+2:1]" epsilon="0.00602547 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ag2+" rmin_half="1.316 * angstrom ** 1"></Atom>
+        <Atom smirks="[#24X0+2:1]" epsilon="0.00691068 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cr2+" rmin_half="1.327 * angstrom ** 1"></Atom>
+        <Atom smirks="[#26X0+2:1]" epsilon="0.00752608 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Fe2+" rmin_half="1.334 * angstrom ** 1"></Atom>
+        <Atom smirks="[#12X0+2:1]" epsilon="0.00828195 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Mg2+" rmin_half="1.342 * angstrom ** 1"></Atom>
+        <Atom smirks="[#23X0+2:1]" epsilon="0.00858042 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-V2+" rmin_half="1.345 * angstrom ** 1"></Atom>
+        <Atom smirks="[#25X0+2:1]" epsilon="0.01476261 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Mn2+" rmin_half="1.394 * angstrom ** 1"></Atom>
+        <Atom smirks="[#80X0+2:1]" epsilon="0.01476261 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Hg2+" rmin_half="1.394 * angstrom ** 1"></Atom>
+        <Atom smirks="[#48X0+2:1]" epsilon="0.01538757 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cd2+" rmin_half="1.398 * angstrom ** 1"></Atom>
+        <Atom smirks="[#70X0+2:1]" epsilon="0.09019198 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Yb2+" rmin_half="1.621 * angstrom ** 1"></Atom>
+        <Atom smirks="[#20X0+2:1]" epsilon="0.09344247 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ca2+" rmin_half="1.627 * angstrom ** 1"></Atom>
+        <Atom smirks="[#50X0+2:1]" epsilon="0.10359269 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Sn2+" rmin_half="1.645 * angstrom ** 1"></Atom>
+        <Atom smirks="[#82X0+2:1]" epsilon="0.15773029 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pb2+" rmin_half="1.728 * angstrom ** 1"></Atom>
+        <Atom smirks="[#63X0+2:1]" epsilon="0.19865859 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Eu2+" rmin_half="1.782 * angstrom ** 1"></Atom>
+        <Atom smirks="[#38X0+2:1]" epsilon="0.20424131 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Sr2+" rmin_half="1.789 * angstrom ** 1"></Atom>
+        <Atom smirks="[#62X0+2:1]" epsilon="0.20988115 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Sm2+" rmin_half="1.796 * angstrom ** 1"></Atom>
+        <Atom smirks="[#56X0+2:1]" epsilon="0.38216886 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ba2+" rmin_half="1.992 * angstrom ** 1"></Atom>
+        <Atom smirks="[#88X0+2:1]" epsilon="0.38216886 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ra2+" rmin_half="1.992 * angstrom ** 1"></Atom>
+        <Atom smirks="[#13X0+3:1]" epsilon="0.00312065 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Al3+" rmin_half="1.267 * angstrom ** 1"></Atom>
+        <Atom smirks="[#26X0+3:1]" epsilon="0.01636246 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Fe3+" rmin_half="1.404 * angstrom ** 1"></Atom>
+        <Atom smirks="[#24X0+3:1]" epsilon="0.00858042 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Cr3+" rmin_half="1.345 * angstrom ** 1"></Atom>
+        <Atom smirks="[#49X0+3:1]" epsilon="0.02387506 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-In3+" rmin_half="1.443 * angstrom ** 1"></Atom>
+        <Atom smirks="[#81X0+3:1]" epsilon="0.03537062 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Tl3+" rmin_half="1.488 * angstrom ** 1"></Atom>
+        <Atom smirks="[#39X0+3:1]" epsilon="0.07117158 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Y3+" rmin_half="1.583 * angstrom ** 1"></Atom>
+        <Atom smirks="[#57X0+3:1]" epsilon="0.1485017 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-La3+" rmin_half="1.715 * angstrom ** 1"></Atom>
+        <Atom smirks="[#58X0+3:1]" epsilon="0.16500296 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ce3+" rmin_half="1.738 * angstrom ** 1"></Atom>
+        <Atom smirks="[#59X0+3:1]" epsilon="0.1598965 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pr3+" rmin_half="1.731 * angstrom ** 1"></Atom>
+        <Atom smirks="[#60X0+3:1]" epsilon="0.12180998 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Nd3+" rmin_half="1.675 * angstrom ** 1"></Atom>
+        <Atom smirks="[#62X0+3:1]" epsilon="0.10651723 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Sm3+" rmin_half="1.65 * angstrom ** 1"></Atom>
+        <Atom smirks="[#63X0+3:1]" epsilon="0.11129023 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Eu3+" rmin_half="1.658 * angstrom ** 1"></Atom>
+        <Atom smirks="[#64X0+3:1]" epsilon="0.08337961 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Gd3+" rmin_half="1.608 * angstrom ** 1"></Atom>
+        <Atom smirks="[#65X0+3:1]" epsilon="0.08806221 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Tb3+" rmin_half="1.617 * angstrom ** 1"></Atom>
+        <Atom smirks="[#66X0+3:1]" epsilon="0.07543075 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Dy3+" rmin_half="1.592 * angstrom ** 1"></Atom>
+        <Atom smirks="[#68X0+3:1]" epsilon="0.07117158 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Er3+" rmin_half="1.583 * angstrom ** 1"></Atom>
+        <Atom smirks="[#69X0+3:1]" epsilon="0.07117158 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Tm3+" rmin_half="1.583 * angstrom ** 1"></Atom>
+        <Atom smirks="[#71X0+3:1]" epsilon="0.06397679 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Lu3+" rmin_half="1.567 * angstrom ** 1"></Atom>
+        <Atom smirks="[#72X0+4:1]" epsilon="0.02960343 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Hf4+" rmin_half="1.467 * angstrom ** 1"></Atom>
+        <Atom smirks="[#40X0+4:1]" epsilon="0.03745682 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Zr4+" rmin_half="1.495 * angstrom ** 1"></Atom>
+        <Atom smirks="[#58X0+4:1]" epsilon="0.13282966 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Ce4+" rmin_half="1.692 * angstrom ** 1"></Atom>
+        <Atom smirks="[#92X0+4:1]" epsilon="0.13282966 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-U4+" rmin_half="1.692 * angstrom ** 1"></Atom>
+        <Atom smirks="[#94X0+4:1]" epsilon="0.11679623 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Pu4+" rmin_half="1.667 * angstrom ** 1"></Atom>
+        <Atom smirks="[#90X0+4:1]" epsilon="0.14433113 * kilocalorie_per_mole ** 1" id="n-ionslm-126-tip4p-fb-Th4+" rmin_half="1.709 * angstrom ** 1"></Atom>
+    </vdW>
+    <LibraryCharges version="0.3">
+        <LibraryCharge smirks="[#1]-[#8X2H2+0:1]-[#1]" charge1="0.0 * elementary_charge ** 1" id="q-tip4p-fb-O"></LibraryCharge>
+        <LibraryCharge smirks="[#1:1]-[#8X2H2+0]-[#1]" charge1="0.0 * elementary_charge ** 1" id="q-tip4p-fb-H"></LibraryCharge>
+        <LibraryCharge smirks="[#3X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Li+"></LibraryCharge>
+        <LibraryCharge smirks="[#11X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Na+"></LibraryCharge>
+        <LibraryCharge smirks="[#19X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-K+"></LibraryCharge>
+        <LibraryCharge smirks="[#37X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Rb+"></LibraryCharge>
+        <LibraryCharge smirks="[#55X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cs+"></LibraryCharge>
+        <LibraryCharge smirks="[#81X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Tl+"></LibraryCharge>
+        <LibraryCharge smirks="[#29X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cu+"></LibraryCharge>
+        <LibraryCharge smirks="[#47X0+1:1]" charge1="1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ag+"></LibraryCharge>
+        <LibraryCharge smirks="[#9X0-1:1]" charge1="-1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-F-"></LibraryCharge>
+        <LibraryCharge smirks="[#17X0-1:1]" charge1="-1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cl-"></LibraryCharge>
+        <LibraryCharge smirks="[#35X0-1:1]" charge1="-1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Br-"></LibraryCharge>
+        <LibraryCharge smirks="[#53X0-1:1]" charge1="-1 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-I-"></LibraryCharge>
+        <LibraryCharge smirks="[#4X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Be2+"></LibraryCharge>
+        <LibraryCharge smirks="[#29X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cu2+"></LibraryCharge>
+        <LibraryCharge smirks="[#28X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ni2+"></LibraryCharge>
+        <LibraryCharge smirks="[#78X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pt2+"></LibraryCharge>
+        <LibraryCharge smirks="[#30X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Zn2+"></LibraryCharge>
+        <LibraryCharge smirks="[#27X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Co2+"></LibraryCharge>
+        <LibraryCharge smirks="[#46X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pd2+"></LibraryCharge>
+        <LibraryCharge smirks="[#47X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ag2+"></LibraryCharge>
+        <LibraryCharge smirks="[#24X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cr2+"></LibraryCharge>
+        <LibraryCharge smirks="[#26X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Fe2+"></LibraryCharge>
+        <LibraryCharge smirks="[#12X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Mg2+"></LibraryCharge>
+        <LibraryCharge smirks="[#23X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-V2+"></LibraryCharge>
+        <LibraryCharge smirks="[#25X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Mn2+"></LibraryCharge>
+        <LibraryCharge smirks="[#80X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Hg2+"></LibraryCharge>
+        <LibraryCharge smirks="[#48X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cd2+"></LibraryCharge>
+        <LibraryCharge smirks="[#70X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Yb2+"></LibraryCharge>
+        <LibraryCharge smirks="[#20X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ca2+"></LibraryCharge>
+        <LibraryCharge smirks="[#50X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Sn2+"></LibraryCharge>
+        <LibraryCharge smirks="[#82X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pb2+"></LibraryCharge>
+        <LibraryCharge smirks="[#63X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Eu2+"></LibraryCharge>
+        <LibraryCharge smirks="[#38X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Sr2+"></LibraryCharge>
+        <LibraryCharge smirks="[#62X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Sm2+"></LibraryCharge>
+        <LibraryCharge smirks="[#56X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ba2+"></LibraryCharge>
+        <LibraryCharge smirks="[#88X0+2:1]" charge1="2 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ra2+"></LibraryCharge>
+        <LibraryCharge smirks="[#13X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Al3+"></LibraryCharge>
+        <LibraryCharge smirks="[#26X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Fe3+"></LibraryCharge>
+        <LibraryCharge smirks="[#24X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Cr3+"></LibraryCharge>
+        <LibraryCharge smirks="[#49X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-In3+"></LibraryCharge>
+        <LibraryCharge smirks="[#81X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Tl3+"></LibraryCharge>
+        <LibraryCharge smirks="[#39X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Y3+"></LibraryCharge>
+        <LibraryCharge smirks="[#57X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-La3+"></LibraryCharge>
+        <LibraryCharge smirks="[#58X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ce3+"></LibraryCharge>
+        <LibraryCharge smirks="[#59X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pr3+"></LibraryCharge>
+        <LibraryCharge smirks="[#60X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Nd3+"></LibraryCharge>
+        <LibraryCharge smirks="[#62X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Sm3+"></LibraryCharge>
+        <LibraryCharge smirks="[#63X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Eu3+"></LibraryCharge>
+        <LibraryCharge smirks="[#64X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Gd3+"></LibraryCharge>
+        <LibraryCharge smirks="[#65X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Tb3+"></LibraryCharge>
+        <LibraryCharge smirks="[#66X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Dy3+"></LibraryCharge>
+        <LibraryCharge smirks="[#68X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Er3+"></LibraryCharge>
+        <LibraryCharge smirks="[#69X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Tm3+"></LibraryCharge>
+        <LibraryCharge smirks="[#71X0+3:1]" charge1="3 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Lu3+"></LibraryCharge>
+        <LibraryCharge smirks="[#72X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Hf4+"></LibraryCharge>
+        <LibraryCharge smirks="[#40X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Zr4+"></LibraryCharge>
+        <LibraryCharge smirks="[#58X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Ce4+"></LibraryCharge>
+        <LibraryCharge smirks="[#92X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-U4+"></LibraryCharge>
+        <LibraryCharge smirks="[#94X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Pu4+"></LibraryCharge>
+        <LibraryCharge smirks="[#90X0+4:1]" charge1="4 * elementary_charge ** 1" id="q-ionslm-126-tip4p-fb-Th4+"></LibraryCharge>
+    </LibraryCharges>
+    <Electrostatics version="0.4" scale12="0.0" scale13="0.0" scale14="0.8333333333" scale15="1.0" cutoff="9.0 * angstrom ** 1" switch_width="0.0 * angstrom ** 1" periodic_potential="Ewald3D-ConductingBoundary" nonperiodic_potential="Coulomb" exception_potential="Coulomb"></Electrostatics>
+    <Constraints version="0.3">
+        <Constraint smirks="[#1:1]-[#8X2H2+0:2]-[#1]" id="c-tip4p-fb-H-O" distance="0.09572 * nanometer ** 1"></Constraint>
+        <Constraint smirks="[#1:1]-[#8X2H2+0]-[#1:2]" id="c-tip4p-fb-H-O-H" distance="0.15139006545247014 * nanometer ** 1"></Constraint>
+    </Constraints>
+    <VirtualSites version="0.3" exclusion_policy="parents">
+        <VirtualSite smirks="[#1:2]-[#8X2H2+0:1]-[#1:3]" epsilon="0.0 * kilocalorie_per_mole ** 1" type="DivalentLonePair" match="once" distance="-0.010527445756662016 * nanometer ** 1" outOfPlaneAngle="0.0 * degree ** 1" inPlaneAngle="None" charge_increment1="0.0 * elementary_charge ** 1" charge_increment2="0.5258681106763 * elementary_charge ** 1" charge_increment3="0.5258681106763 * elementary_charge ** 1" sigma="1.0 * angstrom ** 1" name="EP"></VirtualSite>
+    </VirtualSites>
+</SMIRNOFF>
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/generate-4-site-input-forcefield.py b/studies/028_smirnoff_tip4p_geometry_fit/generate-4-site-input-forcefield.py
new file mode 100644
index 000000000..d9d02d6d9
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/generate-4-site-input-forcefield.py
@@ -0,0 +1,266 @@
+
+"""Build a refit-ready force field for a 4-site water model workflow.
+
+This script starts from a small-molecule OpenFF force field and a separate
+water-model force field, then:
+
+1. Removes TIP3P-specific parameters from the small-molecule force field.
+2. Marks vdW parameters for optimization based on dataset coverage.
+3. Zeroes atom-centered water charges and reassigns charge to virtual sites.
+4. Adds an auxiliary virtual-site type used for geometry optimization.
+5. Merges selected handlers from the water model into the output force field.
+
+Example:
+    python generate-4-site-input-forcefield.py \
+        --input-force-field openff-2.3.0.offxml \
+        --water-model tip4p_fb \
+        --input-dataset dataset.json \
+        --output-force-field outputs/force-field.offxml \
+        --n-data-points 3
+"""
+
+import click
+import pathlib
+from collections import Counter
+
+from rdkit import Chem
+from rdkit.Chem import rdMolTransforms
+
+import numpy as np
+from openff.toolkit import ForceField, Molecule, Topology, unit
+from openff.evaluator.datasets.datasets import PhysicalPropertyDataSet
+from openff.interchange.models import (
+    TopologyKey,
+    VirtualSiteKey,
+)
+
+from loguru import logger
+
+
+@click.command()
+@click.option(
+    "--input-force-field",
+    "-i",
+    default="openff-2.2.1.offxml",
+    show_default=True,
+    type=str,
+    help="Input small-molecule OpenFF force field (.offxml).",
+)
+@click.option(
+    "--water-model",
+    "-w",
+    default="tip4p_fb",
+    show_default=True,
+    type=str,
+    help="Water model basename (expects <water-model>.offxml).",
+)
+@click.option(
+    "--output-force-field",
+    "-o",
+    default="force-field.offxml",
+    show_default=True,
+    type=click.Path(dir_okay=False, path_type=pathlib.Path),
+    help="Path for the generated force field.",
+)
+def main(
+    input_force_field: pathlib.Path,
+    water_model: str,
+    output_force_field: pathlib.Path,
+):
+    small_molecule_ff = ForceField(str(input_force_field))
+    water_ff = ForceField(f"{water_model}.offxml")
+
+    # === Constraints ===
+    # Keep constraints fixed, but remove TIP3P-specific entries so we can
+    # replace water terms with those from the selected 4-site model.
+    constraints = small_molecule_ff.get_parameter_handler("Constraints")
+    assert constraints.parameters[0].id == "c1", "Must use constrained FF"
+    tip3p_parameter_indices = [
+        i for i, p in enumerate(constraints._parameters[:3]) if "tip3p" in p.id
+    ]
+    for index in sorted(tip3p_parameter_indices, reverse=True):
+        del constraints._parameters[index]
+
+    # === vdW ===
+    # Remove TIP3P atom types and mark only well-sampled vdW parameters for refit.
+    vdWs = small_molecule_ff.get_parameter_handler("vdW")
+
+    all_parameter_ids = [p.id for p in vdWs.parameters]
+    tip3p_parameter_indices = [
+        all_parameter_ids.index("n-tip3p-H"), all_parameter_ids.index("n-tip3p-O")
+    ]
+    for index in sorted(tip3p_parameter_indices, reverse=True):
+        del vdWs._parameters[index]
+
+    # parameterize another vdW type
+    mol = Molecule.from_smiles("CC(C)O")
+    labels = small_molecule_ff.label_molecules(mol.to_topology())[0]["vdW"]
+    vdw_parameter = labels[(0,)]
+    # small perturbation to make sure it's being updated during optimization
+    print(f"Original CX4 vdW epsilon: {vdw_parameter.epsilon}, sigma: {vdw_parameter.sigma}")
+    vdw_parameter.epsilon += 0.1 * unit.kilocalorie_per_mole
+    vdw_parameter.sigma += 0.1 * unit.angstrom
+    vdw_parameter.add_cosmetic_attribute("parameterize", "epsilon,sigma")
+
+    # parameterize water O vdW
+    water_o_vdw_parameter = None
+    for parameter in water_ff.get_parameter_handler("vdW").parameters:
+        if parameter.id and "tip4p" in parameter.id and parameter.id.endswith("-O"):
+            water_o_vdw_parameter = parameter
+            break
+    if water_o_vdw_parameter is None:
+        raise ValueError("Could not find water oxygen vdW parameter in water model")
+    print(f"Original water O vdW epsilon: {water_o_vdw_parameter.epsilon}, sigma: {water_o_vdw_parameter.sigma}")
+    water_o_vdw_parameter.add_cosmetic_attribute("parameterize", "epsilon,sigma")
+
+    # === Electrostatics ===
+    # Remove TIP3P library charges from the small-molecule force field.
+    # Water charges are then taken from the selected water model and modified.
+
+    library_charges = small_molecule_ff.get_parameter_handler("LibraryCharges")
+    library_charges_parameters_ids = [p.id for p in library_charges.parameters]
+    tip3p_parameter_indices = [
+        library_charges_parameters_ids.index("q-tip3p-O"),
+        library_charges_parameters_ids.index("q-tip3p-H")
+    ]
+    for index in sorted(tip3p_parameter_indices, reverse=True):
+        del library_charges._parameters[index]
+
+    h_librarycharge = None
+    o_librarycharge = None
+    library_charges_water = water_ff.get_parameter_handler("LibraryCharges")
+    for parameter in library_charges_water.parameters:
+        if "ion" in parameter.id:
+            continue
+        if parameter.id.endswith("-H"):
+            h_librarycharge = parameter
+        elif parameter.id.endswith("-O"):
+            o_librarycharge = parameter
+
+    if h_librarycharge is None or o_librarycharge is None:
+        raise ValueError("Could not find water library charges in water model")
+
+    # Neutralize atom-centered charges; charge is redistributed onto virtual sites.
+    h_librarycharge.charge = [0 * unit.elementary_charge]
+    o_librarycharge.charge = [0 * unit.elementary_charge]
+
+    # === Virtual sites ===
+    # Define two virtual-site categories:
+    # 1) M site: carries the main negative charge, no LJ terms.
+    # 2) L sites: auxiliary sites near hydrogens, used for geometry + LJ tuning.
+
+    vsites = water_ff.get_parameter_handler("VirtualSites")
+    assert len(vsites.parameters) == 1, "Expected exactly one virtual site parameter for 4-site water model"
+
+    m_parameter = vsites.parameters[0]
+    assert m_parameter.type == "DivalentLonePair"
+    # Keep oxygen increment fixed; tie H increments together during optimization.
+    m_parameter.add_cosmetic_attribute("parameterize", "distance,charge_increment2")
+    m_chargeincrement2 = f"PRM['VirtualSites/VirtualSite/charge_increment2/{m_parameter.smirks}/{m_parameter.type}/{m_parameter.name}/{m_parameter.match}']"
+    m_parameter.add_cosmetic_attribute(
+        "parameter_eval",
+        f"charge_increment3={m_chargeincrement2}"
+    )
+    m_parameter_charge = -sum(m_parameter.charge_increment)
+
+    # arbitrarily alter charge increment to make sure it's being updated during optimization
+    print(f"Original M-site charge increment: {m_parameter.charge_increment2}")
+    m_parameter.charge_increment2 += 0.05 * unit.elementary_charge
+    m_parameter.charge_increment3 += 0.05 * unit.elementary_charge
+
+    # Build the L-site geometry from constrained O-H and H-H distances.
+    angle_constraint = None
+    bond_constraint = None
+    water_constraints = water_ff.get_parameter_handler("Constraints")
+    for parameter in water_constraints.parameters:
+        if "H-O-H" in parameter.id:
+            angle_constraint = parameter
+        elif "O-H" in parameter.id or "H-O" in parameter.id:
+            bond_constraint = parameter
+    
+    if angle_constraint is None or bond_constraint is None:
+        raise ValueError("Could not find necessary constraints in water model for virtual site geometry")
+
+    l_distance = bond_constraint.distance
+    hh_distance = angle_constraint.distance.m_as(unit.angstrom)
+
+    # Compute out-of-plane angle from a right triangle defined by H-H and O-H.
+    out_of_plane_angle = np.rad2deg(
+        np.arcsin(hh_distance / (2 * l_distance.m_as(unit.angstrom)))
+    )
+
+    l_parameter_kwargs = {
+        "smirks": "[#1:2]-[#8X2H2+0:1]-[#1:3]",
+        "type": "DivalentLonePair",
+        "name": "EP-L",
+        "match": "all_permutations",
+        "distance": l_distance,
+        "outOfPlaneAngle": out_of_plane_angle * unit.degree,
+        "charge_increment": [
+            0 * unit.elementary_charge,
+            -m_parameter.charge_increment2 / 2,
+            -m_parameter.charge_increment3 / 2,
+        ],
+        "epsilon": 0.0 * unit.kilocalorie_per_mole,
+        "sigma": 1.0 * unit.angstrom,
+    }
+    vsites.add_parameter(l_parameter_kwargs)
+    # don't optimize this just to avoid confusing optimizer too much
+    # l_parameter.add_cosmetic_attribute(
+    #     "parameterize", "distance,outOfPlaneAngle"
+    # )
+    # l_parameter.add_cosmetic_attribute(
+    #     "parameter_eval",
+    #     f"charge_increment2=-0.5*{m_chargeincrement2}, charge_increment3=-0.5*{m_chargeincrement2}"
+    # )
+
+    molecule = Molecule.from_mapped_smiles("[H:2][O:1][H:3]")
+    molecule.generate_conformers(n_conformers=1)
+    interchange = water_ff.create_interchange(molecule.to_topology())
+
+    # Validate geometry of virtual sites; should match angle geometry.
+    interchange.minimize()
+    positions = interchange.get_positions(include_virtual_sites=True)
+
+    rdmol = Chem.RWMol(molecule.to_rdkit())
+    n_vsites = len(positions) - molecule.n_atoms
+    for _ in range(n_vsites):
+        rdmol.AddAtom(Chem.Atom(0))  # virtual site as dummy atom
+
+    # Create conformer with virtual site positions
+    conf = Chem.Conformer(len(positions))
+    for i in range(len(positions)):
+        pos = positions[i].m_as("angstrom")
+        conf.SetAtomPosition(i, pos)
+    rdmol.AddConformer(conf)
+
+    lol_angle = rdMolTransforms.GetAngleDeg(conf, 4, 0, 5)
+    ol_distance = rdMolTransforms.GetBondLength(conf, 0, 4)
+
+    l_distance_ = l_distance.m_as("angstrom")
+
+    assert np.isclose(ol_distance, l_distance_), f"Expected OL distance {l_distance_}, got {ol_distance}"
+    assert np.isclose(lol_angle, 2 * out_of_plane_angle), f"Expected LOL angle {2 * out_of_plane_angle}, got {lol_angle}"
+    
+    # now combine force fields
+    # Merge updated water handlers into the base small-molecule force field.
+    for handler_name in ["Constraints", "vdW", "LibraryCharges", "VirtualSites"]:
+        small_molecule_handler = small_molecule_ff.get_parameter_handler(handler_name)
+        water_handler = water_ff.get_parameter_handler(handler_name)
+
+        for parameter in water_handler.parameters:
+            if parameter.id and "ion" in parameter.id:
+                continue
+            kwargs = parameter.to_dict()
+            if "parameterize" in parameter._cosmetic_attribs or "parameter_eval" in parameter._cosmetic_attribs:
+                kwargs["allow_cosmetic_attributes"] = True
+            small_molecule_handler.add_parameter(kwargs)
+
+    output_force_field.parent.mkdir(parents=True, exist_ok=True)
+
+    small_molecule_ff.to_file(output_force_field)
+    logger.info(f"Wrote modified force field to {output_force_field}")
+
+
+if __name__ == "__main__":
+    main()
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/gradient.in b/studies/028_smirnoff_tip4p_geometry_fit/gradient.in
deleted file mode 100644
index 59c31dcb7..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/gradient.in
+++ /dev/null
@@ -1,53 +0,0 @@
-# ForceBalance input file for gradient evaluation (used by test_system.py)
-# Based on optimize.in with jobtype changed to gradient
-
-$options
-ffdir forcefield
-penalty_type L2
-jobtype gradient
-forcefield force-field.offxml
-maxstep 2
-convergence_step 0.1
-convergence_objective 0.1
-convergence_gradient 0.1
-eig_lowerbound 0.01
-finite_difference_h 0.001
-penalty_additive 1.0
-trust0 0.25
-mintrust 0.05
-error_tolerance 1.0
-adaptive_factor 0.2
-adaptive_damping 1.0
-normalize_weights no
-print_hessian
-constrain_charge false
-backup false
-
-priors
-    /VirtualSites/VirtualSite/charge_increment2  :  0.1
-    /VirtualSites/VirtualSite/distance  :  0.1
-    /VirtualSites/VirtualSite/outOfPlaneAngle  :  0.1
-/priors
-
-$end
-
-$target
-name water
-type AbInitio_SMIRNOFF
-mol2 input.sdf
-pdb water.pdb
-weight 1.0
-w_force 0.1 # Reflects intrinsically small QM force
-force_average # Average force over all atoms
-attenuate
-energy_denom 5.0
-energy_upper 20.0
-writelevel 2
-$end
-
-$target
-name phys-prop
-type Evaluator_SMIRNOFF
-weight 1.0
-evaluator_input options.json
-$end
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/optimize.in b/studies/028_smirnoff_tip4p_geometry_fit/optimize.in
index 74ff57dde..f9b17c29d 100644
--- a/studies/028_smirnoff_tip4p_geometry_fit/optimize.in
+++ b/studies/028_smirnoff_tip4p_geometry_fit/optimize.in
@@ -13,14 +13,14 @@ ffdir forcefield
 penalty_type L2
 jobtype optimize
 forcefield force-field.offxml
-maxstep 20
+maxstep 1
 convergence_step 0.1
 convergence_objective 0.1
 convergence_gradient 0.1
 eig_lowerbound 0.01
 finite_difference_h 0.001
 penalty_additive 1.0
-trust0 0.25
+trust0 0.1
 mintrust 0.05
 error_tolerance 1.0
 adaptive_factor 0.2
@@ -30,9 +30,11 @@ print_hessian
 constrain_charge false
 
 priors
-    /VirtualSites/VirtualSite/charge_increment2  :  0.1
-    /VirtualSites/VirtualSite/distance  :  0.1
-    /VirtualSites/VirtualSite/outOfPlaneAngle  :  0.1
+    vdW/Atom/epsilon : 0.1
+    vdW/Atom/sigma : 0.1
+    VirtualSites/VirtualSite/charge_increment2  :  0.1
+    VirtualSites/VirtualSite/distance  :  0.1
+    VirtualSites/VirtualSite/outOfPlaneAngle  :  0.1
 /priors
 
 $end
@@ -42,7 +44,7 @@ name water
 type AbInitio_SMIRNOFF
 mol2 input.sdf
 pdb water.pdb
-weight 1.0
+weight 1000.0
 w_force 0.1 # Reflects intrinsically small QM force
 attenuate
 energy_denom 5.0
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/optimize.sav b/studies/028_smirnoff_tip4p_geometry_fit/optimize.sav
new file mode 100644
index 000000000..d30e57019
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/optimize.sav
@@ -0,0 +1,68 @@
+# ForceBalance input file generated by MakeInputFile.py
+# The octothorpe '#' is a comment symbol
+# There are two sections, the main options ($options) and the target options ($target)
+# A ForceBalance calculation will have one $options section and as one $target section per optimization target
+# The most important options are listed at the top; options are also roughly grouped by their application
+# Note: If the specified value is 'None' then the option will truly be set to None - not the string 'None'
+# Note: Section option types are more complicated and may require you to read the documentation
+# Note: Boolean option types require no value, the key being present implies 'True'
+# Note: List option types are specified using spaces as the delimiter - i.e. forcefield ff1.itp ff2.itp ; delete empty brackets before use [] 
+
+$options
+ffdir forcefield
+penalty_type L2
+jobtype optimize
+forcefield force-field.offxml
+maxstep 1
+convergence_step 0.1
+convergence_objective 0.1
+convergence_gradient 0.1
+eig_lowerbound 0.01
+finite_difference_h 0.001
+penalty_additive 1.0
+trust0 0.1
+mintrust 0.05
+error_tolerance 1.0
+adaptive_factor 0.2
+adaptive_damping 1.0
+normalize_weights no
+print_hessian
+constrain_charge false
+
+priors
+    vdW/Atom/epsilon : 0.1
+    vdW/Atom/sigma : 0.1
+    VirtualSites/VirtualSite/charge_increment2  :  0.1
+    VirtualSites/VirtualSite/distance  :  0.1
+    VirtualSites/VirtualSite/outOfPlaneAngle  :  0.1
+/priors
+
+read_mvals
+   0 [  1.70508046e-05 ] : vdW/Atom/epsilon/[#6X4:1]
+   1 [  2.91614378e-06 ] : vdW/Atom/sigma/[#6X4:1]
+   2 [  1.02582056e-03 ] : vdW/Atom/epsilon/[#1]-[#8X2H2+0:1]-[#1]
+   3 [  3.73145020e-02 ] : vdW/Atom/sigma/[#1]-[#8X2H2+0:1]-[#1]
+   4 [  2.14322272e-01 ] : VirtualSites/VirtualSite/distance/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/once
+   5 [  3.12299464e-02 ] : VirtualSites/VirtualSite/charge_increment2/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/once
+/read_mvals
+$end
+
+$target
+name water
+type AbInitio_SMIRNOFF
+mol2 input.sdf
+pdb water.pdb
+weight 1000.0
+w_force 0.1 # Reflects intrinsically small QM force
+attenuate
+energy_denom 5.0
+energy_upper 20.0
+writelevel 2
+$end
+
+$target
+name phys-prop
+type Evaluator_SMIRNOFF
+weight 1.0
+evaluator_input options.json
+$end
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/smirnoff_parameter_assignments.json b/studies/028_smirnoff_tip4p_geometry_fit/smirnoff_parameter_assignments.json
index 67beaa15e..51a21d338 100644
--- a/studies/028_smirnoff_tip4p_geometry_fit/smirnoff_parameter_assignments.json
+++ b/studies/028_smirnoff_tip4p_geometry_fit/smirnoff_parameter_assignments.json
@@ -1,5 +1,60 @@
 {
   "targets/water/input.sdf": [
+    {
+      "id": "c-tip4p-fb-H-O",
+      "smirks": "[#1:1]-[#8X2H2+0:2]-[#1]",
+      "type": "Constraints",
+      "atoms": [
+        0,
+        1
+      ]
+    },
+    {
+      "id": "c-tip4p-fb-H-O",
+      "smirks": "[#1:1]-[#8X2H2+0:2]-[#1]",
+      "type": "Constraints",
+      "atoms": [
+        0,
+        2
+      ]
+    },
+    {
+      "id": "c-tip4p-fb-H-O-H",
+      "smirks": "[#1:1]-[#8X2H2+0]-[#1:2]",
+      "type": "Constraints",
+      "atoms": [
+        1,
+        2
+      ]
+    },
+    {
+      "id": "b88",
+      "smirks": "[#8:1]-[#1:2]",
+      "type": "Bonds",
+      "atoms": [
+        0,
+        1
+      ]
+    },
+    {
+      "id": "b88",
+      "smirks": "[#8:1]-[#1:2]",
+      "type": "Bonds",
+      "atoms": [
+        0,
+        2
+      ]
+    },
+    {
+      "id": "a28",
+      "smirks": "[*:1]-[#8:2]-[*:3]",
+      "type": "Angles",
+      "atoms": [
+        1,
+        0,
+        2
+      ]
+    },
     {
       "id": "n-tip4p-fb-O",
       "smirks": "[#1]-[#8X2H2+0:1]-[#1]",
@@ -49,29 +104,821 @@
       ]
     },
     {
-      "id": "c-tip4p-fb-H-O",
-      "smirks": "[#1:1]-[#8X2H2+0:2]-[#1]",
+      "id": null,
+      "smirks": "[#1:2]-[#8X2H2+0:1]-[#1:3]",
+      "type": "VirtualSites",
+      "atoms": [
+        0
+      ]
+    },
+    {
+      "id": null,
+      "smirks": "[#1:2]-[#8X2H2+0:1]-[#1:3]",
+      "type": "VirtualSites",
+      "atoms": [
+        0
+      ]
+    },
+    {
+      "id": null,
+      "smirks": "[#1:2]-[#8X2H2+0:1]-[#1:3]",
+      "type": "VirtualSites",
+      "atoms": [
+        0
+      ]
+    }
+  ],
+  "targets/phys-prop/CC(C)O": [
+    {
+      "id": "c1",
+      "smirks": "[#1:1]-[*:2]",
       "type": "Constraints",
       "atoms": [
         0,
-        1
+        4
       ]
     },
     {
-      "id": "c-tip4p-fb-H-O",
-      "smirks": "[#1:1]-[#8X2H2+0:2]-[#1]",
+      "id": "c1",
+      "smirks": "[#1:1]-[*:2]",
       "type": "Constraints",
       "atoms": [
         0,
-        2
+        5
       ]
     },
     {
-      "id": "c-tip4p-fb-H-O-H",
-      "smirks": "[#1:1]-[#8X2H2+0]-[#1:2]",
+      "id": "c1",
+      "smirks": "[#1:1]-[*:2]",
+      "type": "Constraints",
+      "atoms": [
+        0,
+        6
+      ]
+    },
+    {
+      "id": "c1",
+      "smirks": "[#1:1]-[*:2]",
+      "type": "Constraints",
+      "atoms": [
+        1,
+        7
+      ]
+    },
+    {
+      "id": "c1",
+      "smirks": "[#1:1]-[*:2]",
+      "type": "Constraints",
+      "atoms": [
+        2,
+        8
+      ]
+    },
+    {
+      "id": "c1",
+      "smirks": "[#1:1]-[*:2]",
+      "type": "Constraints",
+      "atoms": [
+        2,
+        9
+      ]
+    },
+    {
+      "id": "c1",
+      "smirks": "[#1:1]-[*:2]",
+      "type": "Constraints",
+      "atoms": [
+        2,
+        10
+      ]
+    },
+    {
+      "id": "c1",
+      "smirks": "[#1:1]-[*:2]",
       "type": "Constraints",
       "atoms": [
+        3,
+        11
+      ]
+    },
+    {
+      "id": "b1",
+      "smirks": "[#6X4:1]-[#6X4:2]",
+      "type": "Bonds",
+      "atoms": [
+        0,
+        1
+      ]
+    },
+    {
+      "id": "b84",
+      "smirks": "[#6X4:1]-[#1:2]",
+      "type": "Bonds",
+      "atoms": [
+        0,
+        4
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diff --git a/studies/028_smirnoff_tip4p_geometry_fit/stored_data/2e965c84a1ee4b86aa97a00b81a66865.json b/studies/028_smirnoff_tip4p_geometry_fit/stored_data/2e965c84a1ee4b86aa97a00b81a66865.json
deleted file mode 100644
index 44655211c..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/stored_data/2e965c84a1ee4b86aa97a00b81a66865.json
+++ /dev/null
@@ -1 +0,0 @@
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kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ag+\" rmin_half=\"1.313 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#9X0-1:1]\" epsilon=\"0.25078 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-F-\" rmin_half=\"1.845 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#17X0-1:1]\" epsilon=\"0.64716164 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Cl-\" rmin_half=\"2.313 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#35X0-1:1]\" epsilon=\"0.73554824 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Br-\" rmin_half=\"2.454 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#53X0-1:1]\" epsilon=\"0.87867445 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-I-\" rmin_half=\"2.804 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#4X0+2:1]\" epsilon=\"1.42e-06 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Be2+\" rmin_half=\"0.924 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#29X0+2:1]\" epsilon=\"0.00089969 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Cu2+\" rmin_half=\"1.181 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#28X0+2:1]\" epsilon=\"0.00136949 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ni2+\" rmin_half=\"1.213 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#78X0+2:1]\" epsilon=\"0.00176831 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Pt2+\" rmin_half=\"1.229 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#30X0+2:1]\" epsilon=\"0.00191142 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Zn2+\" rmin_half=\"1.234 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#27X0+2:1]\" epsilon=\"0.00359255 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Co2+\" rmin_half=\"1.277 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#46X0+2:1]\" epsilon=\"0.00384964 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Pd2+\" rmin_half=\"1.282 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#47X0+2:1]\" epsilon=\"0.00602547 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ag2+\" rmin_half=\"1.316 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#24X0+2:1]\" epsilon=\"0.00691068 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Cr2+\" rmin_half=\"1.327 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#26X0+2:1]\" epsilon=\"0.00752608 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Fe2+\" rmin_half=\"1.334 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#12X0+2:1]\" epsilon=\"0.00828195 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Mg2+\" rmin_half=\"1.342 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#23X0+2:1]\" epsilon=\"0.00858042 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-V2+\" rmin_half=\"1.345 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#25X0+2:1]\" epsilon=\"0.01476261 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Mn2+\" rmin_half=\"1.394 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#80X0+2:1]\" epsilon=\"0.01476261 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Hg2+\" rmin_half=\"1.394 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#48X0+2:1]\" epsilon=\"0.01538757 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Cd2+\" rmin_half=\"1.398 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#70X0+2:1]\" epsilon=\"0.09019198 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Yb2+\" rmin_half=\"1.621 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#20X0+2:1]\" epsilon=\"0.09344247 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ca2+\" rmin_half=\"1.627 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#50X0+2:1]\" epsilon=\"0.10359269 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Sn2+\" rmin_half=\"1.645 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#82X0+2:1]\" epsilon=\"0.15773029 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Pb2+\" rmin_half=\"1.728 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#63X0+2:1]\" epsilon=\"0.19865859 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Eu2+\" rmin_half=\"1.782 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#38X0+2:1]\" epsilon=\"0.20424131 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Sr2+\" rmin_half=\"1.789 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#62X0+2:1]\" epsilon=\"0.20988115 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Sm2+\" rmin_half=\"1.796 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#56X0+2:1]\" epsilon=\"0.38216886 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ba2+\" rmin_half=\"1.992 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#88X0+2:1]\" epsilon=\"0.38216886 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ra2+\" rmin_half=\"1.992 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#13X0+3:1]\" epsilon=\"0.00312065 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Al3+\" rmin_half=\"1.267 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#26X0+3:1]\" epsilon=\"0.01636246 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Fe3+\" rmin_half=\"1.404 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#24X0+3:1]\" epsilon=\"0.00858042 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Cr3+\" rmin_half=\"1.345 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#49X0+3:1]\" epsilon=\"0.02387506 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-In3+\" rmin_half=\"1.443 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#81X0+3:1]\" epsilon=\"0.03537062 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Tl3+\" rmin_half=\"1.488 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#39X0+3:1]\" epsilon=\"0.07117158 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Y3+\" rmin_half=\"1.583 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#57X0+3:1]\" epsilon=\"0.1485017 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-La3+\" rmin_half=\"1.715 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#58X0+3:1]\" epsilon=\"0.16500296 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ce3+\" rmin_half=\"1.738 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#59X0+3:1]\" epsilon=\"0.1598965 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Pr3+\" rmin_half=\"1.731 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#60X0+3:1]\" epsilon=\"0.12180998 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Nd3+\" rmin_half=\"1.675 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#62X0+3:1]\" epsilon=\"0.10651723 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Sm3+\" rmin_half=\"1.65 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#63X0+3:1]\" epsilon=\"0.11129023 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Eu3+\" rmin_half=\"1.658 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#64X0+3:1]\" epsilon=\"0.08337961 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Gd3+\" rmin_half=\"1.608 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#65X0+3:1]\" epsilon=\"0.08806221 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Tb3+\" rmin_half=\"1.617 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#66X0+3:1]\" epsilon=\"0.07543075 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Dy3+\" rmin_half=\"1.592 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#68X0+3:1]\" epsilon=\"0.07117158 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Er3+\" rmin_half=\"1.583 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#69X0+3:1]\" epsilon=\"0.07117158 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Tm3+\" rmin_half=\"1.583 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#71X0+3:1]\" epsilon=\"0.06397679 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Lu3+\" rmin_half=\"1.567 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#72X0+4:1]\" epsilon=\"0.02960343 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Hf4+\" rmin_half=\"1.467 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#40X0+4:1]\" epsilon=\"0.03745682 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Zr4+\" rmin_half=\"1.495 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#58X0+4:1]\" epsilon=\"0.13282966 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Ce4+\" rmin_half=\"1.692 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#92X0+4:1]\" epsilon=\"0.13282966 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-U4+\" rmin_half=\"1.692 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#94X0+4:1]\" epsilon=\"0.11679623 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Pu4+\" rmin_half=\"1.667 * angstrom ** 1\"></Atom>\n        <Atom smirks=\"[#90X0+4:1]\" epsilon=\"0.14433113 * kilocalorie_per_mole ** 1\" id=\"n-ionslm-126-tip4p-fb-Th4+\" rmin_half=\"1.709 * angstrom ** 1\"></Atom>\n    </vdW>\n    <LibraryCharges version=\"0.3\">\n        <LibraryCharge smirks=\"[#1]-[#8X2H2+0:1]-[#1]\" charge1=\"0 * elementary_charge ** 1\" id=\"q-tip4p-fb-O\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#1:1]-[#8X2H2+0]-[#1]\" charge1=\"0 * elementary_charge ** 1\" id=\"q-tip4p-fb-H\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#3X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Li+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#11X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Na+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#19X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-K+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#37X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Rb+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#55X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cs+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#81X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Tl+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#29X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cu+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#47X0+1:1]\" charge1=\"1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ag+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#9X0-1:1]\" charge1=\"-1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-F-\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#17X0-1:1]\" charge1=\"-1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cl-\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#35X0-1:1]\" charge1=\"-1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Br-\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#53X0-1:1]\" charge1=\"-1 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-I-\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#4X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Be2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#29X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cu2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#28X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ni2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#78X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Pt2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#30X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Zn2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#27X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Co2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#46X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Pd2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#47X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ag2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#24X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cr2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#26X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Fe2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#12X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Mg2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#23X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-V2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#25X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Mn2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#80X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Hg2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#48X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cd2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#70X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Yb2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#20X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ca2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#50X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Sn2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#82X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Pb2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#63X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Eu2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#38X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Sr2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#62X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Sm2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#56X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ba2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#88X0+2:1]\" charge1=\"2 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ra2+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#13X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Al3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#26X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Fe3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#24X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Cr3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#49X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-In3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#81X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Tl3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#39X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Y3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#57X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-La3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#58X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ce3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#59X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Pr3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#60X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Nd3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#62X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Sm3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#63X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Eu3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#64X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Gd3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#65X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Tb3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#66X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Dy3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#68X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Er3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#69X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Tm3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#71X0+3:1]\" charge1=\"3 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Lu3+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#72X0+4:1]\" charge1=\"4 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Hf4+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#40X0+4:1]\" charge1=\"4 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Zr4+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#58X0+4:1]\" charge1=\"4 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Ce4+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#92X0+4:1]\" charge1=\"4 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-U4+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#94X0+4:1]\" charge1=\"4 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Pu4+\"></LibraryCharge>\n        <LibraryCharge smirks=\"[#90X0+4:1]\" charge1=\"4 * elementary_charge ** 1\" id=\"q-ionslm-126-tip4p-fb-Th4+\"></LibraryCharge>\n    </LibraryCharges>\n    <Electrostatics version=\"0.4\" scale12=\"0.0\" scale13=\"0.0\" scale14=\"0.8333333333\" scale15=\"1.0\" cutoff=\"9.0 * angstrom ** 1\" switch_width=\"0.0 * angstrom ** 1\" periodic_potential=\"Ewald3D-ConductingBoundary\" nonperiodic_potential=\"Coulomb\" exception_potential=\"Coulomb\"></Electrostatics>\n    <Constraints version=\"0.3\">\n        <Constraint smirks=\"[#1:1]-[#8X2H2+0:2]-[#1]\" id=\"c-tip4p-fb-H-O\" distance=\"0.09572 * nanometer ** 1\"></Constraint>\n        <Constraint smirks=\"[#1:1]-[#8X2H2+0]-[#1:2]\" id=\"c-tip4p-fb-H-O-H\" distance=\"0.15139006545247014 * nanometer ** 1\"></Constraint>\n    </Constraints>\n    <VirtualSites version=\"0.3\" exclusion_policy=\"parents\">\n        <VirtualSite smirks=\"[#1:2]-[#8X2H2+0:1]-[#1:3]\" epsilon=\"0.0 * kilocalorie_per_mole ** 1\" type=\"DivalentLonePair\" match=\"once\" distance=\"-0.2 * nanometer ** 1\" outOfPlaneAngle=\"0.0 * degree ** 1\" inPlaneAngle=\"None\" charge_increment1=\"0.0 * elementary_charge ** 1\" charge_increment2=\"1.0 * elementary_charge ** 1\" charge_increment3=\"1.0 * elementary_charge ** 1\" sigma=\"1.0 * angstrom ** 1\" name=\"EP\"></VirtualSite>\n        <VirtualSite smirks=\"[#1:2]-[#8X2H2+0:1]-[#1:3]\" epsilon=\"0.0 * kilocalorie_per_mole ** 1\" type=\"DivalentLonePair\" match=\"all_permutations\" distance=\"0.2 * nanometer ** 1\" outOfPlaneAngle=\"70.0 * degree ** 1\" inPlaneAngle=\"None\" charge_increment1=\"0 * elementary_charge ** 1\" charge_increment2=\"-0.5 * elementary_charge ** 1\" charge_increment3=\"-0.5 * elementary_charge ** 1\" sigma=\"1.0 * angstrom ** 1\" name=\"EP-L\"></VirtualSite>\n    </VirtualSites>\n</SMIRNOFF>", "@type": "openff.evaluator.forcefield.forcefield.SmirnoffForceFieldSource"}, "@type": "openff.evaluator.storage.data.ForceFieldData"}
\ No newline at end of file
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/stored_data/object_keys.json b/studies/028_smirnoff_tip4p_geometry_fit/stored_data/object_keys.json
index eae7b1af7..886bdd390 100644
--- a/studies/028_smirnoff_tip4p_geometry_fit/stored_data/object_keys.json
+++ b/studies/028_smirnoff_tip4p_geometry_fit/stored_data/object_keys.json
@@ -1 +1 @@
-{"object_keys": {"ForceFieldData": ["2e965c84a1ee4b86aa97a00b81a66865"]}, "@type": "openff.evaluator.storage.storage.StorageBackend._ObjectKeyData"}
\ No newline at end of file
+{"object_keys": {"ForceFieldData": ["450a6073cb7a46469d26b0a942a96232", "0fd0265dee4246489d36f368c3d65571", "9f7d2eb0e0a342a9974efa3d0d2faa77", "b0f354e28735430db00f369780c2c90c"], "StoredSimulationData": ["04447d34033d484abd009cf63d59b5e8", "cfda13ee705e46bf91d1d801c5ce95c3", "79419fbb3d8247e09e2143a809056e5f", "bc04e521b2b54a4e852ea4a7b496c7ab", "834839f90bca419a81b8361915ab7603", "9d55a08e82074f7fac9e6a07b9075cf4"]}, "@type": "openff.evaluator.storage.storage.StorageBackend._ObjectKeyData"}
\ No newline at end of file
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/.gitignore b/studies/029_smirnoff_vs_openmm_water_vsite/.gitignore
new file mode 100644
index 000000000..76a509e0b
--- /dev/null
+++ b/studies/029_smirnoff_vs_openmm_water_vsite/.gitignore
@@ -0,0 +1,3 @@
+*.tmp
+*.json
+
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip4p/tip4p_fb.offxml b/studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip4p/tip4p_fb.offxml
new file mode 100644
index 000000000..1fb1ed9a7
--- /dev/null
+++ b/studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip4p/tip4p_fb.offxml
@@ -0,0 +1,21 @@
+<?xml version="1.0" encoding="utf-8"?>
+<SMIRNOFF version="0.3" aromaticity_model="OEAroModel_MDL">
+    <vdW version="0.4" potential="Lennard-Jones-12-6" combining_rules="Lorentz-Berthelot" scale12="0.0" scale13="0.0" scale14="0.5" scale15="1.0" cutoff="9.0 * angstrom ** 1" switch_width="1.0 * angstrom ** 1" periodic_method="cutoff" nonperiodic_method="no-cutoff">
+        <Atom smirks="[#1]-[#8X2H2+0:1]-[#1]" epsilon="7.492790213533e-01 * kilojoule_per_mole ** 1" id="n-tip4p-fb-O" sigma="3.165552430462e-01 * nanometer ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#8X2H2+0]-[#1]" epsilon="0.0 * kilocalorie_per_mole ** 1" id="n-tip4p-fb-H" sigma="1.0 * nanometer ** 1"></Atom>
+    </vdW>
+    <LibraryCharges version="0.3">
+        <LibraryCharge smirks="[#1]-[#8X2H2+0:1]-[#1]" charge1="0.0 * elementary_charge ** 1" id="q-tip4p-fb-O"></LibraryCharge>
+        <LibraryCharge smirks="[#1:1]-[#8X2H2+0]-[#1]" charge1="0.0 * elementary_charge ** 1" id="q-tip4p-fb-H"></LibraryCharge>
+    </LibraryCharges>
+    <Electrostatics version="0.4" scale12="0.0" scale13="0.0" scale14="0.8333333333" scale15="1.0" cutoff="9.0 * angstrom ** 1" switch_width="0.0 * angstrom ** 1" periodic_potential="Ewald3D-ConductingBoundary" nonperiodic_potential="Coulomb" exception_potential="Coulomb"></Electrostatics>
+        <Bonds version="0.4" potential="harmonic" fractional_bondorder_method="AM1-Wiberg" fractional_bondorder_interpolation="linear">
+        <Bond smirks="[#8:1]-[#1:2]" id="b1" length="0.09572 * nanometer ** 1" k="462750.4 * nanometer ** -2 * kilojoules_per_mole ** 1"></Bond>
+    </Bonds>
+    <Angles version="0.3" potential="harmonic">
+        <Angle smirks="[#1:1]~[#8:2]~[#1:3]" angle="1.82421813418 * radians ** 1" k="836.8 * kilojoules_per_mole ** 1 * radian ** -2" id="a1"></Angle>
+    </Angles>
+    <VirtualSites version="0.3" exclusion_policy="parents">
+        <VirtualSite smirks="[#1:2]-[#8X2H2+0:1]-[#1:3]" epsilon="0.0 * kilocalorie_per_mole ** 1" type="DivalentLonePair" match="once" distance="-0.010527445756662016 * nanometer ** 1" outOfPlaneAngle="0.0 * degree ** 1" inPlaneAngle="None" charge_increment1="0.0 * elementary_charge ** 1" charge_increment2="5.258681106763e-01 * elementary_charge ** 1" charge_increment3="5.258681106763e-01 * elementary_charge ** 1" sigma="1.0 * angstrom ** 1" name="EP" parameterize="charge_increment2" parameter_eval="charge_increment3=PRM['VirtualSites/VirtualSite/charge_increment2/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/once']"></VirtualSite>
+    </VirtualSites>
+</SMIRNOFF>
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip4p/tip4pfb.xml b/studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip4p/tip4pfb.xml
new file mode 100644
index 000000000..92f86f0b0
--- /dev/null
+++ b/studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip4p/tip4pfb.xml
@@ -0,0 +1,33 @@
+<ForceField>
+ <Info>
+  <DateGenerated>2014-05-28</DateGenerated>
+  <Reference>Lee-Ping Wang, Todd J. Martinez and Vijay S. Pande. Building force fields - an automatic, systematic and reproducible approach.  Journal of Physical Chemistry Letters, 2014, 5, pp 1885-1891.  DOI:10.1021/jz500737m</Reference>
+ </Info>
+ <AtomTypes>
+  <Type name="tip4p-fb-O" class="OW" element="O" mass="15.99943"/>
+  <Type name="tip4p-fb-H" class="HW" element="H" mass="1.007947"/>
+  <Type name="tip4p-fb-M" class="MW" mass="0"/>
+ </AtomTypes>
+ <Residues>
+  <Residue name="HOH">
+   <Atom name="O" type="tip4p-fb-O"/>
+   <Atom name="H1" type="tip4p-fb-H"/>
+   <Atom name="H2" type="tip4p-fb-H"/>
+   <Atom name="M" type="tip4p-fb-M"/>
+   <VirtualSite type="localCoords" index="3" atom1="0" atom2="1" atom3="2" wo1="1" wo2="0" wo3="0" wx1="-2" wx2="1" wx3="1" wy1="0" wy2="1" wy3="-1" p1="0.010527445756662016" p2="0" p3="0"/>
+   <Bond from="0" to="1"/>
+   <Bond from="0" to="2"/>
+  </Residue>
+ </Residues>
+ <HarmonicBondForce>
+  <Bond class1="OW" class2="HW" length="0.09572" k="462750.4"/>
+ </HarmonicBondForce>
+ <HarmonicAngleForce>
+  <Angle class1="HW" class2="OW" class3="HW" angle="1.82421813418" k="836.8"/>
+ </HarmonicAngleForce>
+ <NonbondedForce coulomb14scale="0.833333" lj14scale="0.5">
+  <Atom type="tip4p-fb-O" charge="0" sigma="3.165552430462e-01" epsilon="7.492790213533e-01" />
+  <Atom type="tip4p-fb-H" charge="5.258681106763e-01" sigma="1" epsilon="0" parameterize="charge"/>
+  <Atom type="tip4p-fb-M" charge="-1.0517362213526e+00" sigma="1" epsilon="0" />
+ </NonbondedForce>
+</ForceField>
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip5p/tip5p.offxml b/studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip5p/tip5p.offxml
new file mode 100644
index 000000000..cba8c5897
--- /dev/null
+++ b/studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip5p/tip5p.offxml
@@ -0,0 +1,21 @@
+<?xml version="1.0" encoding="utf-8"?>
+<SMIRNOFF version="0.3" aromaticity_model="OEAroModel_MDL">
+    <vdW version="0.4" potential="Lennard-Jones-12-6" combining_rules="Lorentz-Berthelot" scale12="0.0" scale13="0.0" scale14="0.5" scale15="1.0" cutoff="9.0 * angstrom ** 1" switch_width="1.0 * angstrom ** 1" periodic_method="cutoff" nonperiodic_method="no-cutoff">
+        <Atom smirks="[#1]-[#8X2H2+0:1]-[#1]" epsilon="0.66944 * kilojoules_per_mole ** 1" id="n-tip5p-O" sigma="0.312 * nanometer ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#8X2H2+0]-[#1]" epsilon="0.0 * kilocalorie_per_mole ** 1" id="n-tip5p-H" sigma="1.0 * nanometer ** 1"></Atom>
+    </vdW>
+    <LibraryCharges version="0.3">
+        <LibraryCharge smirks="[#1]-[#8X2H2+0:1]-[#1]" charge1="0.0 * elementary_charge ** 1" id="q-tip5p-O"></LibraryCharge>
+        <LibraryCharge smirks="[#1:1]-[#8X2H2+0]-[#1]" charge1="0.0 * elementary_charge ** 1" id="q-tip5p-H"></LibraryCharge>
+    </LibraryCharges>
+    <Electrostatics version="0.4" scale12="0.0" scale13="0.0" scale14="0.8333333333" scale15="1.0" cutoff="9.0 * angstrom ** 1" switch_width="0.0 * angstrom ** 1" periodic_potential="Ewald3D-ConductingBoundary" nonperiodic_potential="Coulomb" exception_potential="Coulomb"></Electrostatics>
+    <Bonds version="0.4" potential="harmonic" fractional_bondorder_method="AM1-Wiberg" fractional_bondorder_interpolation="linear">
+        <Bond smirks="[#8:1]-[#1:2]" id="b1" length="0.09572 * nanometer ** 1" k="462750.4 * nanometer ** -2 * kilojoules_per_mole ** 1"></Bond>
+    </Bonds>
+    <Angles version="0.3" potential="harmonic">
+        <Angle smirks="[#1:1]~[#8:2]~[#1:3]" angle="1.82421813418 * radians ** 1" k="836.8 * kilojoules_per_mole ** 1 * radian ** -2" id="a1"></Angle>
+    </Angles>
+    <VirtualSites version="0.3" exclusion_policy="parents">
+        <VirtualSite smirks="[#1:2]-[#8X2H2+0:1]-[#1:3]" epsilon="0.0 * kilocalorie_per_mole ** 1" type="DivalentLonePair" match="all_permutations" distance="0.07 * nanometer ** 1" outOfPlaneAngle="54.735 * degree ** 1" inPlaneAngle="None" charge_increment1="0.0 * elementary_charge ** 1" charge_increment2="0.1205 * elementary_charge ** 1" charge_increment3="0.1205 * elementary_charge ** 1" sigma="10.0 * angstrom ** 1" name="EP" parameterize="charge_increment2" parameter_eval="charge_increment3=PRM['VirtualSites/VirtualSite/charge_increment2/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/all_permutations']"></VirtualSite>
+    </VirtualSites>
+</SMIRNOFF>
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip5p/tip5p.xml b/studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip5p/tip5p.xml
new file mode 100644
index 000000000..f7e2ad74e
--- /dev/null
+++ b/studies/029_smirnoff_vs_openmm_water_vsite/forcefield_tip5p/tip5p.xml
@@ -0,0 +1,32 @@
+<ForceField>
+ <AtomTypes>
+  <Type name="tip5p-O" class="OW" element="O" mass="15.99943"/>
+  <Type name="tip5p-H" class="HW" element="H" mass="1.007947"/>
+  <Type name="tip5p-M" class="MW" mass="0"/>
+ </AtomTypes>
+ <Residues>
+  <Residue name="HOH">
+   <Atom name="O" type="tip5p-O"/>
+   <Atom name="H1" type="tip5p-H"/>
+   <Atom name="H2" type="tip5p-H"/>
+   <Atom name="M1" type="tip5p-M"/>
+   <Atom name="M2" type="tip5p-M"/>
+   <VirtualSite type="localCoords" siteName="M1" atomName1="O" atomName2="H1" atomName3="H2" wo1="1" wo2="0" wo3="0" wx1="2" wx2="-1" wx3="-1" wy1="0" wy2="1" wy3="-1" p1="0.040415127656" p2="0" p3="-0.057154330164"/>
+   <VirtualSite type="localCoords" siteName="M2" atomName1="O" atomName2="H1" atomName3="H2" wo1="1" wo2="0" wo3="0" wx1="2" wx2="-1" wx3="-1" wy1="0" wy2="1" wy3="-1" p1="0.040415127656" p2="0" p3="0.057154330164"/>
+   <Bond atomName1="O" atomName2="H1"/>
+   <Bond atomName1="O" atomName2="H2"/>
+  </Residue>
+ </Residues>
+ <HarmonicBondForce>
+  <Bond class1="OW" class2="HW" length="0.09572" k="462750.4"/>
+ </HarmonicBondForce>
+ <HarmonicAngleForce>
+  <Angle class1="HW" class2="OW" class3="HW" angle="1.82421813418" k="836.8"/>
+ </HarmonicAngleForce>
+ <NonbondedForce coulomb14scale="0.833333" lj14scale="0.5">
+  <Atom type="tip5p-O" charge="0" sigma="0.312" epsilon="0.66944"/>
+  <Atom type="tip5p-H" charge="0.241" sigma="1" epsilon="0" parameterize="charge"/>
+  <Atom type="tip5p-M" charge="-0.241" sigma="1" epsilon="0"/>
+ </NonbondedForce>
+</ForceField>
+
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip4p_openmm.in b/studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip4p_openmm.in
new file mode 100644
index 000000000..6b05451da
--- /dev/null
+++ b/studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip4p_openmm.in
@@ -0,0 +1,28 @@
+$options
+ffdir forcefield_tip4p
+jobtype gradient
+forcefield tip4pfb.xml
+backup false
+finite_difference_h 0.001
+penalty_additive 1.0
+normalize_weights no
+constrain_charge false
+
+priors
+    tip4pfb/NonbondedForce/Atom/charge : 0.1
+/priors
+
+$end
+
+$target
+name water
+type AbInitio_OpenMM
+pdb water.pdb
+coords all.gro
+weight 1.0
+w_force 0.1
+attenuate
+energy_denom 5.0
+energy_upper 20.0
+openmm_platform Reference
+$end
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip4p_smirnoff.in b/studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip4p_smirnoff.in
new file mode 100644
index 000000000..855fc7354
--- /dev/null
+++ b/studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip4p_smirnoff.in
@@ -0,0 +1,27 @@
+$options
+ffdir forcefield_tip4p
+jobtype gradient
+forcefield tip4p_fb.offxml
+backup false
+finite_difference_h 0.001
+penalty_additive 1.0
+normalize_weights no
+constrain_charge false
+
+priors
+    /VirtualSites/VirtualSite/charge_increment2 : 0.1
+/priors
+
+$end
+
+$target
+name water
+type AbInitio_SMIRNOFF
+mol2 input.sdf
+pdb water.pdb
+weight 1.0
+w_force 0.1
+attenuate
+energy_denom 5.0
+energy_upper 20.0
+$end
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip5p_openmm.in b/studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip5p_openmm.in
new file mode 100644
index 000000000..72fb0215d
--- /dev/null
+++ b/studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip5p_openmm.in
@@ -0,0 +1,28 @@
+$options
+ffdir forcefield_tip5p
+jobtype gradient
+forcefield tip5p.xml
+backup false
+finite_difference_h 0.001
+penalty_additive 1.0
+normalize_weights no
+constrain_charge false
+
+priors
+    tip5p/NonbondedForce/Atom/charge : 0.1
+/priors
+
+$end
+
+$target
+name water
+type AbInitio_OpenMM
+pdb water.pdb
+coords all.gro
+weight 1.0
+w_force 0.1
+attenuate
+energy_denom 5.0
+energy_upper 20.0
+openmm_platform Reference
+$end
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip5p_smirnoff.in b/studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip5p_smirnoff.in
new file mode 100644
index 000000000..ce8ed081b
--- /dev/null
+++ b/studies/029_smirnoff_vs_openmm_water_vsite/gradient_tip5p_smirnoff.in
@@ -0,0 +1,27 @@
+$options
+ffdir forcefield_tip5p
+jobtype gradient
+forcefield tip5p.offxml
+backup false
+finite_difference_h 0.001
+penalty_additive 1.0
+normalize_weights no
+constrain_charge false
+
+priors
+    /VirtualSites/VirtualSite/charge_increment2 : 0.1
+/priors
+
+$end
+
+$target
+name water
+type AbInitio_SMIRNOFF
+mol2 input.sdf
+pdb water.pdb
+weight 1.0
+w_force 0.1
+attenuate
+energy_denom 5.0
+energy_upper 20.0
+$end

From 2e57aba6e7628182b955a2d04d92d1338213df3d Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 5 Mar 2026 15:08:40 +1100
Subject: [PATCH 57/76] add targets

---
 .../targets/phys-prop/options.json            |   917 +
 .../targets/phys-prop/training-set.json       |    74 +
 .../targets/water/all.gro                     | 64800 ++++++++++++++++
 .../targets/water/input.sdf                   |    11 +
 .../targets/water/qdata.txt                   | 36000 +++++++++
 .../targets/water/water.pdb                   |     9 +
 .../targets/water/all.gro                     | 64800 ++++++++++++++++
 .../targets/water/input.sdf                   |    11 +
 .../targets/water/qdata.txt                   | 36000 +++++++++
 .../targets/water/water.pdb                   |     7 +
 10 files changed, 202629 insertions(+)
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/options.json
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/training-set.json
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/water/all.gro
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/water/input.sdf
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/water/qdata.txt
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/water/water.pdb
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/targets/water/all.gro
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/targets/water/input.sdf
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/targets/water/qdata.txt
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/targets/water/water.pdb

diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/options.json b/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/options.json
new file mode 100644
index 000000000..c1829fc3d
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/options.json
@@ -0,0 +1,917 @@
+{
+    "connection_options": {
+        "server_address": "localhost",
+        "server_port": 8000
+    },
+    "data_set_path": "training-set.json",
+    "denominators": {
+        "Density": {
+            "@type": "openff.evaluator.unit.Quantity",
+            "unit": "kg / m ** 3",
+            "value": 10.0
+        },
+        "EnthalpyOfVaporization": {
+            "@type": "openff.evaluator.unit.Quantity",
+            "unit": "kJ / mol",
+            "value": 0.3
+        }
+    },
+    "estimation_options": {
+        "batch_mode": {
+            "@type": "openff.evaluator.client.client.BatchMode",
+            "value": "SharedComponents"
+        },
+        "calculation_layers": [
+            "ReweightingLayer",
+            "SimulationLayer"
+        ],
+        "calculation_schemas": {
+            "Density": {
+                "SimulationLayer": {
+                    "@type": "openff.evaluator.layers.simulation.SimulationSchema",
+                    "workflow_schema": {
+                        "@type": "openff.evaluator.workflow.schemas.WorkflowSchema",
+                        "final_value_source": {
+                            "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                            "full_path": "conditional_group/average_density.value"
+                        },
+                        "outputs_to_store": {
+                            "full_system": {
+                                "@type": "openff.evaluator.storage.data.StoredSimulationData",
+                                "coordinate_file_name": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "conditional_group/production_simulation.output_coordinate_file"
+                                },
+                                "force_field_id": {
+                                    "@type": "openff.evaluator.attributes.attributes.PlaceholderValue"
+                                },
+                                "number_of_molecules": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "build_coordinates.output_number_of_molecules"
+                                },
+                                "observables": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "decorrelate_observables.output_observables"
+                                },
+                                "property_phase": 2,
+                                "source_calculation_id": {
+                                    "@type": "openff.evaluator.attributes.attributes.PlaceholderValue"
+                                },
+                                "statistical_inefficiency": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "conditional_group/average_density.time_series_statistics.statistical_inefficiency"
+                                },
+                                "substance": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "build_coordinates.output_substance"
+                                },
+                                "thermodynamic_state": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "global.thermodynamic_state"
+                                },
+                                "trajectory_file_name": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "decorrelate_trajectory.output_trajectory_path"
+                                }
+                            }
+                        },
+                        "protocol_schemas": [
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "build_coordinates",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".box_aspect_ratio": [
+                                        1.0,
+                                        1.0,
+                                        1.0
+                                    ],
+                                    ".count_exact_amount": true,
+                                    ".mass_density": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "g / ml",
+                                        "value": 0.95
+                                    },
+                                    ".max_molecules": 100,
+                                    ".retain_packmol_files": false,
+                                    ".substance": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "global.substance"
+                                    },
+                                    ".tolerance": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "\u00c5",
+                                        "value": 2.0
+                                    },
+                                    ".verbose_packmol": false
+                                },
+                                "type": "BuildCoordinatesPackmol"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "energy_minimisation",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".enable_pbc": true,
+                                    ".input_coordinate_file": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "build_coordinates.coordinate_file_path"
+                                    },
+                                    ".max_iterations": 0,
+                                    ".parameterized_system": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "assign_parameters.parameterized_system"
+                                    },
+                                    ".tolerance": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "kJ / mol / nm",
+                                        "value": 10.0
+                                    }
+                                },
+                                "type": "OpenMMEnergyMinimisation"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "equilibration_simulation",
+                                "inputs": {
+                                    ".allow_gpu_platforms": true,
+                                    ".allow_merging": true,
+                                    ".checkpoint_frequency": 10,
+                                    ".enable_pbc": true,
+                                    ".ensemble": {
+                                        "@type": "openff.evaluator.thermodynamics.Ensemble",
+                                        "value": "NPT"
+                                    },
+                                    ".gradient_parameters": [],
+                                    ".high_precision": false,
+                                    ".input_coordinate_file": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "energy_minimisation.output_coordinate_file"
+                                    },
+                                    ".output_frequency": 500,
+                                    ".parameterized_system": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "assign_parameters.parameterized_system"
+                                    },
+                                    ".steps_per_iteration": 1000,
+                                    ".thermodynamic_state": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "global.thermodynamic_state"
+                                    },
+                                    ".thermostat_friction": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "1 / ps",
+                                        "value": 1.0
+                                    },
+                                    ".timestep": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "fs",
+                                        "value": 2.0
+                                    },
+                                    ".total_number_of_iterations": 1
+                                },
+                                "type": "OpenMMSimulation"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolGroupSchema",
+                                "id": "conditional_group",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".conditions": [],
+                                    ".max_iterations": 100
+                                },
+                                "protocol_schemas": {
+                                    "average_density": {
+                                        "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                        "id": "average_density",
+                                        "inputs": {
+                                            ".allow_merging": true,
+                                            ".bootstrap_iterations": 250,
+                                            ".bootstrap_sample_size": 1.0,
+                                            ".divisor": 1.0,
+                                            ".observable": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "production_simulation.observables[Density]"
+                                            },
+                                            ".potential_energies": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "production_simulation.observables[PotentialEnergy]"
+                                            },
+                                            ".thermodynamic_state": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "global.thermodynamic_state"
+                                            }
+                                        },
+                                        "type": "AverageObservable"
+                                    },
+                                    "production_simulation": {
+                                        "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                        "id": "production_simulation",
+                                        "inputs": {
+                                            ".allow_gpu_platforms": true,
+                                            ".allow_merging": true,
+                                            ".checkpoint_frequency": 10,
+                                            ".enable_pbc": true,
+                                            ".ensemble": {
+                                                "@type": "openff.evaluator.thermodynamics.Ensemble",
+                                                "value": "NPT"
+                                            },
+                                            ".gradient_parameters": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "global.parameter_gradient_keys"
+                                            },
+                                            ".high_precision": false,
+                                            ".input_coordinate_file": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "equilibration_simulation.output_coordinate_file"
+                                            },
+                                            ".output_frequency": 1,
+                                            ".parameterized_system": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "assign_parameters.parameterized_system"
+                                            },
+                                            ".steps_per_iteration": 500,
+                                            ".thermodynamic_state": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "global.thermodynamic_state"
+                                            },
+                                            ".thermostat_friction": {
+                                                "@type": "openff.evaluator.unit.Quantity",
+                                                "unit": "1 / ps",
+                                                "value": 1.0
+                                            },
+                                            ".timestep": {
+                                                "@type": "openff.evaluator.unit.Quantity",
+                                                "unit": "fs",
+                                                "value": 2.0
+                                            },
+                                            ".total_number_of_iterations": 1
+                                        },
+                                        "type": "OpenMMSimulation"
+                                    }
+                                },
+                                "type": "ConditionalGroup"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "decorrelate_trajectory",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".input_coordinate_file": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/production_simulation.output_coordinate_file"
+                                    },
+                                    ".input_trajectory_path": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/production_simulation.trajectory_file_path"
+                                    },
+                                    ".time_series_statistics": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/average_density.time_series_statistics"
+                                    }
+                                },
+                                "type": "DecorrelateTrajectory"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "decorrelate_observables",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".input_observables": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/production_simulation.observables"
+                                    },
+                                    ".time_series_statistics": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/average_density.time_series_statistics"
+                                    }
+                                },
+                                "type": "DecorrelateObservables"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "assign_parameters",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".coordinate_file_path": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "build_coordinates.coordinate_file_path"
+                                    },
+                                    ".force_field_path": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "global.force_field_path"
+                                    },
+                                    ".substance": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "build_coordinates.output_substance"
+                                    }
+                                },
+                                "type": "BuildSmirnoffSystem"
+                            }
+                        ]
+                    }
+                }
+            },
+            "EnthalpyOfVaporization": {
+                "SimulationLayer": {
+                    "@type": "openff.evaluator.layers.simulation.SimulationSchema",
+                    "workflow_schema": {
+                        "@type": "openff.evaluator.workflow.schemas.WorkflowSchema",
+                        "final_value_source": {
+                            "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                            "full_path": "conditional_group/enthalpy_of_vaporization.result"
+                        },
+                        "outputs_to_store": {
+                            "gas_data": {
+                                "@type": "openff.evaluator.storage.data.StoredSimulationData",
+                                "coordinate_file_name": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "conditional_group/production_simulation_gas.output_coordinate_file"
+                                },
+                                "force_field_id": {
+                                    "@type": "openff.evaluator.attributes.attributes.PlaceholderValue"
+                                },
+                                "number_of_molecules": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "build_coordinates_gas.output_number_of_molecules"
+                                },
+                                "observables": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "decorrelate_observables_gas.output_observables"
+                                },
+                                "property_phase": 4,
+                                "source_calculation_id": {
+                                    "@type": "openff.evaluator.attributes.attributes.PlaceholderValue"
+                                },
+                                "statistical_inefficiency": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "conditional_group/average_gas_potential.time_series_statistics.statistical_inefficiency"
+                                },
+                                "substance": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "build_coordinates_gas.output_substance"
+                                },
+                                "thermodynamic_state": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "global.thermodynamic_state"
+                                },
+                                "trajectory_file_name": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "decorrelate_trajectory_gas.output_trajectory_path"
+                                }
+                            },
+                            "liquid_data": {
+                                "@type": "openff.evaluator.storage.data.StoredSimulationData",
+                                "coordinate_file_name": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "conditional_group/production_simulation_liquid.output_coordinate_file"
+                                },
+                                "force_field_id": {
+                                    "@type": "openff.evaluator.attributes.attributes.PlaceholderValue"
+                                },
+                                "number_of_molecules": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "build_coordinates_liquid.output_number_of_molecules"
+                                },
+                                "observables": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "decorrelate_observables_liquid.output_observables"
+                                },
+                                "property_phase": 2,
+                                "source_calculation_id": {
+                                    "@type": "openff.evaluator.attributes.attributes.PlaceholderValue"
+                                },
+                                "statistical_inefficiency": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "conditional_group/average_liquid_potential.time_series_statistics.statistical_inefficiency"
+                                },
+                                "substance": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "build_coordinates_liquid.output_substance"
+                                },
+                                "thermodynamic_state": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "global.thermodynamic_state"
+                                },
+                                "trajectory_file_name": {
+                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                    "full_path": "decorrelate_trajectory_liquid.output_trajectory_path"
+                                }
+                            }
+                        },
+                        "protocol_schemas": [
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "build_coordinates_liquid",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".box_aspect_ratio": [
+                                        1.0,
+                                        1.0,
+                                        1.0
+                                    ],
+                                    ".count_exact_amount": true,
+                                    ".mass_density": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "g / ml",
+                                        "value": 0.95
+                                    },
+                                    ".max_molecules": 100,
+                                    ".retain_packmol_files": false,
+                                    ".substance": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "global.substance"
+                                    },
+                                    ".tolerance": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "\u00c5",
+                                        "value": 2.0
+                                    },
+                                    ".verbose_packmol": false
+                                },
+                                "type": "BuildCoordinatesPackmol"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "energy_minimisation_liquid",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".enable_pbc": true,
+                                    ".input_coordinate_file": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "build_coordinates_liquid.coordinate_file_path"
+                                    },
+                                    ".max_iterations": 0,
+                                    ".parameterized_system": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "assign_parameters_liquid.parameterized_system"
+                                    },
+                                    ".tolerance": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "kJ / mol / nm",
+                                        "value": 10.0
+                                    }
+                                },
+                                "type": "OpenMMEnergyMinimisation"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "equilibration_simulation_liquid",
+                                "inputs": {
+                                    ".allow_gpu_platforms": true,
+                                    ".allow_merging": true,
+                                    ".checkpoint_frequency": 10,
+                                    ".enable_pbc": true,
+                                    ".ensemble": {
+                                        "@type": "openff.evaluator.thermodynamics.Ensemble",
+                                        "value": "NPT"
+                                    },
+                                    ".gradient_parameters": [],
+                                    ".high_precision": false,
+                                    ".input_coordinate_file": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "energy_minimisation_liquid.output_coordinate_file"
+                                    },
+                                    ".output_frequency": 500,
+                                    ".parameterized_system": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "assign_parameters_liquid.parameterized_system"
+                                    },
+                                    ".steps_per_iteration": 1000,
+                                    ".thermodynamic_state": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "global.thermodynamic_state"
+                                    },
+                                    ".thermostat_friction": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "1 / ps",
+                                        "value": 1.0
+                                    },
+                                    ".timestep": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "fs",
+                                        "value": 2.0
+                                    },
+                                    ".total_number_of_iterations": 1
+                                },
+                                "type": "OpenMMSimulation"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "decorrelate_trajectory_liquid",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".input_coordinate_file": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/production_simulation_liquid.output_coordinate_file"
+                                    },
+                                    ".input_trajectory_path": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/production_simulation_liquid.trajectory_file_path"
+                                    },
+                                    ".time_series_statistics": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/average_liquid_potential.time_series_statistics"
+                                    }
+                                },
+                                "type": "DecorrelateTrajectory"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "decorrelate_observables_liquid",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".input_observables": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/production_simulation_liquid.observables"
+                                    },
+                                    ".time_series_statistics": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/average_liquid_potential.time_series_statistics"
+                                    }
+                                },
+                                "type": "DecorrelateObservables"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "build_coordinates_gas",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".box_aspect_ratio": [
+                                        1.0,
+                                        1.0,
+                                        1.0
+                                    ],
+                                    ".count_exact_amount": true,
+                                    ".mass_density": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "g / ml",
+                                        "value": 0.01
+                                    },
+                                    ".max_molecules": 1,
+                                    ".retain_packmol_files": false,
+                                    ".substance": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "global.substance"
+                                    },
+                                    ".tolerance": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "\u00c5",
+                                        "value": 2.0
+                                    },
+                                    ".verbose_packmol": false
+                                },
+                                "type": "BuildCoordinatesPackmol"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "energy_minimisation_gas",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".enable_pbc": false,
+                                    ".input_coordinate_file": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "build_coordinates_gas.coordinate_file_path"
+                                    },
+                                    ".max_iterations": 0,
+                                    ".parameterized_system": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "assign_parameters_gas.parameterized_system"
+                                    },
+                                    ".tolerance": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "kJ / mol / nm",
+                                        "value": 10.0
+                                    }
+                                },
+                                "type": "OpenMMEnergyMinimisation"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "equilibration_simulation_gas",
+                                "inputs": {
+                                    ".allow_gpu_platforms": false,
+                                    ".allow_merging": true,
+                                    ".checkpoint_frequency": 10,
+                                    ".enable_pbc": false,
+                                    ".ensemble": {
+                                        "@type": "openff.evaluator.thermodynamics.Ensemble",
+                                        "value": "NVT"
+                                    },
+                                    ".gradient_parameters": [],
+                                    ".high_precision": true,
+                                    ".input_coordinate_file": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "energy_minimisation_gas.output_coordinate_file"
+                                    },
+                                    ".output_frequency": 100,
+                                    ".parameterized_system": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "assign_parameters_gas.parameterized_system"
+                                    },
+                                    ".steps_per_iteration": 5000,
+                                    ".thermodynamic_state": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "global.thermodynamic_state"
+                                    },
+                                    ".thermostat_friction": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "1 / ps",
+                                        "value": 1.0
+                                    },
+                                    ".timestep": {
+                                        "@type": "openff.evaluator.unit.Quantity",
+                                        "unit": "fs",
+                                        "value": 2.0
+                                    },
+                                    ".total_number_of_iterations": 1
+                                },
+                                "type": "OpenMMSimulation"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "decorrelate_trajectory_gas",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".input_coordinate_file": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/production_simulation_gas.output_coordinate_file"
+                                    },
+                                    ".input_trajectory_path": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/production_simulation_gas.trajectory_file_path"
+                                    },
+                                    ".time_series_statistics": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/average_gas_potential.time_series_statistics"
+                                    }
+                                },
+                                "type": "DecorrelateTrajectory"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "decorrelate_observables_gas",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".input_observables": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/production_simulation_gas.observables"
+                                    },
+                                    ".time_series_statistics": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "conditional_group/average_gas_potential.time_series_statistics"
+                                    }
+                                },
+                                "type": "DecorrelateObservables"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolGroupSchema",
+                                "id": "conditional_group",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".conditions": [],
+                                    ".max_iterations": 100
+                                },
+                                "protocol_schemas": {
+                                    "average_gas_potential": {
+                                        "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                        "id": "average_gas_potential",
+                                        "inputs": {
+                                            ".allow_merging": true,
+                                            ".bootstrap_iterations": 250,
+                                            ".bootstrap_sample_size": 1.0,
+                                            ".divisor": 1.0,
+                                            ".observable": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "production_simulation_gas.observables[PotentialEnergy]"
+                                            },
+                                            ".potential_energies": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "production_simulation_gas.observables[PotentialEnergy]"
+                                            },
+                                            ".thermodynamic_state": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "global.thermodynamic_state"
+                                            }
+                                        },
+                                        "type": "AverageObservable"
+                                    },
+                                    "average_liquid_potential": {
+                                        "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                        "id": "average_liquid_potential",
+                                        "inputs": {
+                                            ".allow_merging": true,
+                                            ".bootstrap_iterations": 250,
+                                            ".bootstrap_sample_size": 1.0,
+                                            ".divisor": 100,
+                                            ".observable": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "production_simulation_liquid.observables[PotentialEnergy]"
+                                            },
+                                            ".potential_energies": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "production_simulation_liquid.observables[PotentialEnergy]"
+                                            },
+                                            ".thermodynamic_state": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "global.thermodynamic_state"
+                                            }
+                                        },
+                                        "type": "AverageObservable"
+                                    },
+                                    "energy_of_vaporization": {
+                                        "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                        "id": "energy_of_vaporization",
+                                        "inputs": {
+                                            ".allow_merging": true,
+                                            ".value_a": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "average_liquid_potential.value"
+                                            },
+                                            ".value_b": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "average_gas_potential.value"
+                                            }
+                                        },
+                                        "type": "SubtractValues"
+                                    },
+                                    "enthalpy_of_vaporization": {
+                                        "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                        "id": "enthalpy_of_vaporization",
+                                        "inputs": {
+                                            ".allow_merging": true,
+                                            ".values": [
+                                                {
+                                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                    "full_path": "energy_of_vaporization.result"
+                                                },
+                                                {
+                                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                    "full_path": "ideal_volume.result"
+                                                }
+                                            ]
+                                        },
+                                        "type": "AddValues"
+                                    },
+                                    "ideal_volume": {
+                                        "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                        "id": "ideal_volume",
+                                        "inputs": {
+                                            ".allow_merging": true,
+                                            ".multiplier": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "global.thermodynamic_state.temperature"
+                                            },
+                                            ".value": {
+                                                "@type": "openff.evaluator.unit.Quantity",
+                                                "unit": "R",
+                                                "value": 1.0
+                                            }
+                                        },
+                                        "type": "MultiplyValue"
+                                    },
+                                    "production_simulation_gas": {
+                                        "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                        "id": "production_simulation_gas",
+                                        "inputs": {
+                                            ".allow_gpu_platforms": false,
+                                            ".allow_merging": true,
+                                            ".checkpoint_frequency": 100,
+                                            ".enable_pbc": false,
+                                            ".ensemble": {
+                                                "@type": "openff.evaluator.thermodynamics.Ensemble",
+                                                "value": "NVT"
+                                            },
+                                            ".gradient_parameters": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "global.parameter_gradient_keys"
+                                            },
+                                            ".high_precision": true,
+                                            ".input_coordinate_file": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "equilibration_simulation_gas.output_coordinate_file"
+                                            },
+                                            ".output_frequency": 100,
+                                            ".parameterized_system": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "assign_parameters_gas.parameterized_system"
+                                            },
+                                            ".steps_per_iteration": 10000,
+                                            ".thermodynamic_state": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "global.thermodynamic_state"
+                                            },
+                                            ".thermostat_friction": {
+                                                "@type": "openff.evaluator.unit.Quantity",
+                                                "unit": "1 / ps",
+                                                "value": 1.0
+                                            },
+                                            ".timestep": {
+                                                "@type": "openff.evaluator.unit.Quantity",
+                                                "unit": "fs",
+                                                "value": 2.0
+                                            },
+                                            ".total_number_of_iterations": 1
+                                        },
+                                        "type": "OpenMMSimulation"
+                                    },
+                                    "production_simulation_liquid": {
+                                        "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                        "id": "production_simulation_liquid",
+                                        "inputs": {
+                                            ".allow_gpu_platforms": true,
+                                            ".allow_merging": true,
+                                            ".checkpoint_frequency": 10,
+                                            ".enable_pbc": true,
+                                            ".ensemble": {
+                                                "@type": "openff.evaluator.thermodynamics.Ensemble",
+                                                "value": "NPT"
+                                            },
+                                            ".gradient_parameters": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "global.parameter_gradient_keys"
+                                            },
+                                            ".high_precision": false,
+                                            ".input_coordinate_file": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "equilibration_simulation_liquid.output_coordinate_file"
+                                            },
+                                            ".output_frequency": 1,
+                                            ".parameterized_system": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "assign_parameters_liquid.parameterized_system"
+                                            },
+                                            ".steps_per_iteration": 500,
+                                            ".thermodynamic_state": {
+                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                                "full_path": "global.thermodynamic_state"
+                                            },
+                                            ".thermostat_friction": {
+                                                "@type": "openff.evaluator.unit.Quantity",
+                                                "unit": "1 / ps",
+                                                "value": 1.0
+                                            },
+                                            ".timestep": {
+                                                "@type": "openff.evaluator.unit.Quantity",
+                                                "unit": "fs",
+                                                "value": 2.0
+                                            },
+                                            ".total_number_of_iterations": 1
+                                        },
+                                        "type": "OpenMMSimulation"
+                                    }
+                                },
+                                "type": "ConditionalGroup"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "assign_parameters_liquid",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".coordinate_file_path": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "build_coordinates_liquid.coordinate_file_path"
+                                    },
+                                    ".force_field_path": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "global.force_field_path"
+                                    },
+                                    ".substance": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "build_coordinates_liquid.output_substance"
+                                    }
+                                },
+                                "type": "BuildSmirnoffSystem"
+                            },
+                            {
+                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
+                                "id": "assign_parameters_gas",
+                                "inputs": {
+                                    ".allow_merging": true,
+                                    ".coordinate_file_path": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "build_coordinates_gas.coordinate_file_path"
+                                    },
+                                    ".force_field_path": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "global.force_field_path"
+                                    },
+                                    ".substance": {
+                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
+                                        "full_path": "build_coordinates_gas.output_substance"
+                                    }
+                                },
+                                "type": "BuildSmirnoffSystem"
+                            }
+                        ]
+                    }
+                }
+            }
+        }
+    },
+    "polling_interval": 5,
+    "weights": {
+        "Density": 1.0,
+        "EnthalpyOfVaporization": 1.0
+    }
+}
\ No newline at end of file
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/training-set.json b/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/training-set.json
new file mode 100644
index 000000000..014c60462
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/training-set.json
@@ -0,0 +1,74 @@
+{
+  "@type": "openff.evaluator.datasets.datasets.PhysicalPropertyDataSet",
+  "properties": [
+    {
+      "@type": "openff.evaluator.properties.density.Density",
+      "gradients": [],
+      "id": "-5235369125678647707",
+      "phase": 2,
+      "source": {
+        "@type": "openff.evaluator.datasets.provenance.MeasurementSource",
+        "doi": "10.1021/je700700f",
+        "reference": ""
+      },
+      "substance": {
+        "@type": "openff.evaluator.substances.substances.Substance",
+        "amounts": {
+          "CC(C)O{solv}": [
+            {
+              "@type": "openff.evaluator.substances.amounts.MoleFraction",
+              "value": 0.4981
+            }
+          ],
+          "O{solv}": [
+            {
+              "@type": "openff.evaluator.substances.amounts.MoleFraction",
+              "value": 0.5019
+            }
+          ]
+        },
+        "components": [
+          {
+            "@type": "openff.evaluator.substances.components.Component",
+            "role": {
+              "@type": "openff.evaluator.substances.components.Component.Role",
+              "value": "solv"
+            },
+            "smiles": "CC(C)O"
+          },
+          {
+            "@type": "openff.evaluator.substances.components.Component",
+            "role": {
+              "@type": "openff.evaluator.substances.components.Component.Role",
+              "value": "solv"
+            },
+            "smiles": "O"
+          }
+        ]
+      },
+      "thermodynamic_state": {
+        "@type": "openff.evaluator.thermodynamics.ThermodynamicState",
+        "pressure": {
+          "@type": "openff.evaluator.unit.Quantity",
+          "unit": "kilopascal",
+          "value": 101.0
+        },
+        "temperature": {
+          "@type": "openff.evaluator.unit.Quantity",
+          "unit": "kelvin",
+          "value": 298.15
+        }
+      },
+      "uncertainty": {
+        "@type": "openff.evaluator.unit.Quantity",
+        "unit": "gram / milliliter",
+        "value": 0.0002
+      },
+      "value": {
+        "@type": "openff.evaluator.unit.Quantity",
+        "unit": "gram / milliliter",
+        "value": 0.8388000000000001
+      }
+    }
+  ]
+}
\ No newline at end of file
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/all.gro b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/all.gro
new file mode 100644
index 000000000..60a2eab1c
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/all.gro
@@ -0,0 +1,64800 @@
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/00/qchem.out: Frame 1 of 1
+    6
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+    1SOL     O4    4  -0.025012   0.012283   0.127349
+    1SOL     H5    5  -0.016091  -0.006811   0.033978
+    1SOL     H6    6  -0.119275   0.008894   0.143638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068329   0.097053   0.037449
+    0SOL     H2    2  -0.147032   0.073895  -0.011865
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+    1SOL     H6    6   0.022548  -0.027467  -0.011663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022499  -0.124004   0.015192
+    0SOL     H2    2   0.004881  -0.190135   0.082114
+    0SOL     H3    3  -0.006752  -0.164235  -0.066589
+    1SOL     O4    4  -0.025241   0.133616  -0.010805
+    1SOL     H5    5  -0.003792   0.040382  -0.007692
+    1SOL     H6    6   0.042237   0.171906  -0.066866
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054422  -0.125531   0.008842
+    0SOL     H2    2   0.027168  -0.033817   0.006011
+    0SOL     H3    3   0.120093  -0.128916   0.078399
+    1SOL     O4    4  -0.057240   0.113646  -0.015238
+    1SOL     H5    5  -0.090527   0.147704   0.067794
+    1SOL     H6    6  -0.013964   0.188520  -0.056267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057162  -0.096598   0.081668
+    0SOL     H2    2   0.009903  -0.024906   0.039369
+    0SOL     H3    3   0.145028  -0.093024   0.043864
+    1SOL     O4    4  -0.058691   0.087480  -0.072013
+    1SOL     H5    5  -0.047638   0.076625  -0.166471
+    1SOL     H6    6  -0.083206   0.179365  -0.061122
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125192   0.029806   0.012408
+    0SOL     H2    2  -0.177747  -0.031722   0.063541
+    0SOL     H3    3  -0.163861   0.115423   0.030760
+    1SOL     O4    4   0.134130  -0.026605  -0.012940
+    1SOL     H5    5   0.159299  -0.099805  -0.069248
+    1SOL     H6    6   0.038505  -0.030045  -0.010415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094081  -0.001291   0.101499
+    0SOL     H2    2   0.186245   0.003379   0.076076
+    0SOL     H3    3   0.046356  -0.002935   0.018541
+    1SOL     O4    4  -0.092695  -0.004273  -0.094399
+    1SOL     H5    5  -0.173939   0.020776  -0.050418
+    1SOL     H6    6  -0.077023   0.065865  -0.157624
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021701   0.062227  -0.111529
+    0SOL     H2    2  -0.099030   0.060994  -0.167931
+    0SOL     H3    3   0.020301   0.146183  -0.130222
+    1SOL     O4    4   0.020956  -0.068017   0.122217
+    1SOL     H5    5  -0.012498  -0.021728   0.045402
+    1SOL     H6    6   0.105152  -0.103710   0.093944
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047375   0.092287  -0.078869
+    0SOL     H2    2  -0.028777   0.117155  -0.131261
+    0SOL     H3    3   0.122081   0.128817  -0.126271
+    1SOL     O4    4  -0.046888  -0.102476   0.083546
+    1SOL     H5    5  -0.087999  -0.054690   0.155578
+    1SOL     H6    6  -0.011123  -0.034208   0.026778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034309   0.055463   0.125268
+    0SOL     H2    2   0.092538  -0.013034   0.158128
+    0SOL     H3    3  -0.001949   0.019367   0.044367
+    1SOL     O4    4  -0.038574  -0.047688  -0.116509
+    1SOL     H5    5  -0.001940  -0.129924  -0.149029
+    1SOL     H6    6  -0.023381   0.014986  -0.187244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033204  -0.042317   0.121670
+    0SOL     H2    2   0.030110  -0.137906   0.117727
+    0SOL     H3    3  -0.038315  -0.018402   0.180621
+    1SOL     O4    4  -0.023709   0.047890  -0.128301
+    1SOL     H5    5  -0.029813   0.017836  -0.037627
+    1SOL     H6    6  -0.114591   0.054054  -0.157710
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006877   0.103161  -0.085040
+    0SOL     H2    2  -0.034377   0.037294  -0.148818
+    0SOL     H3    3   0.047656   0.163797  -0.135158
+    1SOL     O4    4   0.009879  -0.105920   0.095243
+    1SOL     H5    5  -0.084734  -0.118806   0.088558
+    1SOL     H6    6   0.029592  -0.038601   0.030113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007777  -0.101238   0.084848
+    0SOL     H2    2  -0.011018  -0.173050   0.021643
+    0SOL     H3    3  -0.056383  -0.133752   0.160627
+    1SOL     O4    4   0.005930   0.111836  -0.086282
+    1SOL     H5    5  -0.001700   0.029380  -0.038270
+    1SOL     H6    6   0.095157   0.111264  -0.120930
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041370  -0.064394   0.117040
+    0SOL     H2    2   0.096126  -0.142615   0.110284
+    0SOL     H3    3   0.043678  -0.025846   0.029456
+    1SOL     O4    4  -0.041248   0.060936  -0.111838
+    1SOL     H5    5  -0.006817   0.150236  -0.113316
+    1SOL     H6    6  -0.136222   0.071908  -0.107156
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069619  -0.030655   0.108934
+    0SOL     H2    2   0.053723  -0.124976   0.105315
+    0SOL     H3    3   0.163118  -0.022784   0.127865
+    1SOL     O4    4  -0.081030   0.037265  -0.111022
+    1SOL     H5    5  -0.008089   0.044364  -0.172596
+    1SOL     H6    6  -0.040692   0.007980  -0.029306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050391   0.128326   0.040288
+    0SOL     H2    2  -0.011305   0.060654   0.012423
+    0SOL     H3    3   0.136430   0.093396   0.017058
+    1SOL     O4    4  -0.056577  -0.116500  -0.037262
+    1SOL     H5    5  -0.012087  -0.155166   0.038156
+    1SOL     H6    6  -0.023677  -0.165817  -0.112413
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070417  -0.082636  -0.091075
+    0SOL     H2    2   0.026263  -0.067554  -0.174653
+    0SOL     H3    3   0.024791  -0.025614  -0.029196
+    1SOL     O4    4  -0.064620   0.071902   0.090267
+    1SOL     H5    5  -0.067463   0.111650   0.177298
+    1SOL     H6    6  -0.074957   0.145486   0.029928
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032647  -0.065122   0.114138
+    0SOL     H2    2  -0.031401  -0.023970   0.172160
+    0SOL     H3    3   0.117416  -0.034627   0.146491
+    1SOL     O4    4  -0.033566   0.068271  -0.117978
+    1SOL     H5    5  -0.052814   0.026566  -0.201957
+    1SOL     H6    6  -0.021264  -0.004665  -0.057222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.048035   0.063774   0.116050
+    0SOL     H2    2  -0.005433   0.035829   0.041735
+    0SOL     H3    3   0.053281   0.158957   0.107394
+    1SOL     O4    4  -0.042207  -0.061588  -0.111787
+    1SOL     H5    5  -0.136720  -0.075384  -0.105521
+    1SOL     H6    6  -0.005214  -0.149823  -0.114689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051815  -0.119561  -0.057230
+    0SOL     H2    2   0.094466  -0.088333  -0.137029
+    0SOL     H3    3   0.005993  -0.042847  -0.022913
+    1SOL     O4    4  -0.051845   0.106277   0.057649
+    1SOL     H5    5  -0.065640   0.140903   0.145814
+    1SOL     H6    6  -0.033662   0.183510   0.004106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004837   0.135305  -0.037879
+    0SOL     H2    2   0.024319   0.047497  -0.013345
+    0SOL     H3    3   0.073114   0.190025  -0.028302
+    1SOL     O4    4   0.003013  -0.128582   0.033033
+    1SOL     H5    5  -0.064387  -0.181338  -0.009820
+    1SOL     H6    6   0.000218  -0.155943   0.124717
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010415   0.083721  -0.105939
+    0SOL     H2    2  -0.077284   0.032006  -0.150844
+    0SOL     H3    3  -0.050977   0.169471  -0.093137
+    1SOL     O4    4   0.011358  -0.086392   0.112089
+    1SOL     H5    5   0.016366  -0.031953   0.033516
+    1SOL     H6    6   0.096139  -0.130650   0.116064
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.089377  -0.047596  -0.099875
+    0SOL     H2    2   0.030501  -0.025179  -0.027810
+    0SOL     H3    3   0.133096  -0.127741  -0.071103
+    1SOL     O4    4  -0.089874   0.054719   0.088494
+    1SOL     H5    5  -0.040180   0.080988   0.165972
+    1SOL     H6    6  -0.115487  -0.035838   0.105977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054827  -0.093833  -0.079850
+    0SOL     H2    2   0.139850  -0.094965  -0.035894
+    0SOL     H3    3   0.028293  -0.185742  -0.083154
+    1SOL     O4    4  -0.064080   0.098676   0.080476
+    1SOL     H5    5  -0.012082   0.178054   0.067924
+    1SOL     H6    6  -0.010010   0.028564   0.044102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039239   0.136590   0.001589
+    0SOL     H2    2  -0.099855   0.152743  -0.070710
+    0SOL     H3    3  -0.021031   0.042724  -0.002874
+    1SOL     O4    4   0.036913  -0.128715  -0.000542
+    1SOL     H5    5   0.021150  -0.190553   0.070802
+    1SOL     H6    6   0.131573  -0.131716  -0.014427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076783  -0.070779   0.086150
+    0SOL     H2    2   0.052458  -0.097884   0.174671
+    0SOL     H3    3   0.145675  -0.005596   0.099089
+    1SOL     O4    4  -0.076260   0.071858  -0.097304
+    1SOL     H5    5  -0.038892   0.003502  -0.041685
+    1SOL     H6    6  -0.164798   0.084744  -0.063285
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068473  -0.018799  -0.115503
+    0SOL     H2    2  -0.144161  -0.074630  -0.133294
+    0SOL     H3    3  -0.101693   0.070453  -0.125135
+    1SOL     O4    4   0.073596   0.014636   0.123035
+    1SOL     H5    5   0.026966  -0.010836   0.043416
+    1SOL     H6    6   0.138292   0.078701   0.093502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061247   0.053214  -0.110938
+    0SOL     H2    2  -0.043468  -0.024915  -0.163303
+    0SOL     H3    3  -0.010524   0.122503  -0.153229
+    1SOL     O4    4   0.059870  -0.049809   0.121884
+    1SOL     H5    5   0.071749  -0.140629   0.094080
+    1SOL     H6    6   0.008063  -0.009894   0.051990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000307   0.075304   0.122760
+    0SOL     H2    2   0.091765   0.088811   0.145179
+    0SOL     H3    3   0.001942   0.024433   0.041708
+    1SOL     O4    4  -0.006738  -0.073646  -0.113258
+    1SOL     H5    5  -0.044168  -0.019501  -0.182753
+    1SOL     H6    6   0.066212  -0.119354  -0.155107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133520   0.003343  -0.051698
+    0SOL     H2    2   0.048576   0.022278  -0.011846
+    0SOL     H3    3   0.185845   0.081750  -0.035064
+    1SOL     O4    4  -0.130258  -0.002557   0.046491
+    1SOL     H5    5  -0.082744  -0.059558   0.106952
+    1SOL     H6    6  -0.203419  -0.055999   0.015608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002711  -0.139539   0.044167
+    0SOL     H2    2   0.023164  -0.048173   0.032129
+    0SOL     H3    3  -0.056085  -0.159692  -0.032693
+    1SOL     O4    4  -0.001078   0.131408  -0.038611
+    1SOL     H5    5   0.062529   0.138418  -0.109796
+    1SOL     H6    6   0.030728   0.192267   0.028073
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012819   0.128237  -0.044400
+    0SOL     H2    2  -0.082477   0.121075  -0.038962
+    0SOL     H3    3   0.029923   0.222407  -0.043065
+    1SOL     O4    4  -0.009112  -0.139419   0.039033
+    1SOL     H5    5  -0.016291  -0.142724   0.134426
+    1SOL     H6    6   0.015646  -0.048947   0.019949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123320  -0.076446  -0.004507
+    0SOL     H2    2  -0.130770  -0.102447  -0.096326
+    0SOL     H3    3  -0.046894  -0.018870  -0.001993
+    1SOL     O4    4   0.113259   0.075520   0.013092
+    1SOL     H5    5   0.133812   0.105295  -0.075527
+    1SOL     H6    6   0.193552   0.033128   0.043393
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097902  -0.084864  -0.067710
+    0SOL     H2    2   0.032359  -0.056702  -0.003888
+    0SOL     H3    3   0.046895  -0.121909  -0.139740
+    1SOL     O4    4  -0.092232   0.079664   0.071351
+    1SOL     H5    5  -0.032615   0.146850   0.104429
+    1SOL     H6    6  -0.121979   0.113458  -0.013121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072281   0.065688   0.097455
+    0SOL     H2    2   0.123302   0.136192   0.057601
+    0SOL     H3    3   0.019675   0.109128   0.164596
+    1SOL     O4    4  -0.079052  -0.072180  -0.099257
+    1SOL     H5    5  -0.018845  -0.106508  -0.165280
+    1SOL     H6    6  -0.022178  -0.040278  -0.029187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089092  -0.101586  -0.050670
+    0SOL     H2    2  -0.080493  -0.193610  -0.025768
+    0SOL     H3    3  -0.015374  -0.058130  -0.007782
+    1SOL     O4    4   0.087009   0.099720   0.044169
+    1SOL     H5    5   0.036919   0.104686   0.125586
+    1SOL     H6    6   0.086977   0.189312   0.010470
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026378   0.050405  -0.134854
+    0SOL     H2    2   0.093812   0.117876  -0.126941
+    0SOL     H3    3   0.006931   0.025207  -0.044581
+    1SOL     O4    4  -0.026594  -0.049656   0.123090
+    1SOL     H5    5   0.021691  -0.110879   0.178611
+    1SOL     H6    6  -0.113007  -0.043384   0.163782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065725  -0.122131   0.032091
+    0SOL     H2    2   0.000550  -0.132422   0.100384
+    0SOL     H3    3  -0.029728  -0.168563  -0.043477
+    1SOL     O4    4   0.062548   0.128269  -0.036822
+    1SOL     H5    5   0.081397   0.144189   0.055663
+    1SOL     H6    6   0.003562   0.052883  -0.036662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014494   0.002031  -0.136130
+    0SOL     H2    2  -0.053562  -0.061144  -0.159358
+    0SOL     H3    3   0.056672   0.023543  -0.219321
+    1SOL     O4    4  -0.014925   0.005947   0.144526
+    1SOL     H5    5  -0.043718  -0.081953   0.169162
+    1SOL     H6    6   0.049189  -0.008430   0.074920
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000360   0.059757   0.133317
+    0SOL     H2    2   0.020805   0.031848   0.044235
+    0SOL     H3    3   0.076779   0.036135   0.184832
+    1SOL     O4    4  -0.001971  -0.050960  -0.131868
+    1SOL     H5    5  -0.096924  -0.059222  -0.123039
+    1SOL     H6    6   0.030319  -0.141026  -0.129079
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.103736  -0.090197  -0.030648
+    0SOL     H2    2   0.179527  -0.084288   0.027517
+    0SOL     H3    3   0.051000  -0.161282   0.005798
+    1SOL     O4    4  -0.105255   0.099767   0.021593
+    1SOL     H5    5  -0.039320   0.030655   0.015388
+    1SOL     H6    6  -0.166573   0.068531   0.088127
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006958  -0.096027   0.113684
+    0SOL     H2    2   0.009718  -0.058232   0.027337
+    0SOL     H3    3  -0.077919  -0.042920   0.149830
+    1SOL     O4    4   0.010896   0.084670  -0.112239
+    1SOL     H5    5   0.075958   0.143482  -0.073893
+    1SOL     H6    6  -0.067900   0.138342  -0.120767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.143075  -0.036307  -0.002973
+    0SOL     H2    2  -0.168137  -0.040126  -0.095274
+    0SOL     H3    3  -0.051876  -0.007258  -0.004050
+    1SOL     O4    4   0.132605   0.037002   0.008837
+    1SOL     H5    5   0.197024   0.040092  -0.061894
+    1SOL     H6    6   0.178654  -0.005121   0.081414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020417  -0.072720   0.128542
+    0SOL     H2    2  -0.017367  -0.033548   0.041258
+    0SOL     H3    3   0.029982  -0.012741   0.183540
+    1SOL     O4    4   0.021455   0.066658  -0.120718
+    1SOL     H5    5   0.022268   0.006847  -0.195445
+    1SOL     H6    6  -0.046203   0.130895  -0.142128
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053133   0.109586  -0.087338
+    0SOL     H2    2   0.087397   0.144222  -0.004944
+    0SOL     H3    3  -0.007506   0.040397  -0.060916
+    1SOL     O4    4  -0.046342  -0.104625   0.078002
+    1SOL     H5    5  -0.127697  -0.138360   0.040511
+    1SOL     H6    6  -0.054040  -0.122187   0.171782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.107013  -0.058645  -0.068487
+    0SOL     H2    2   0.090233  -0.152738  -0.073703
+    0SOL     H3    3   0.193682  -0.051908  -0.028419
+    1SOL     O4    4  -0.110560   0.067966   0.072441
+    1SOL     H5    5  -0.186800   0.053267   0.016462
+    1SOL     H6    6  -0.040481   0.017365   0.031321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033769   0.102879  -0.104224
+    0SOL     H2    2   0.009949   0.167108  -0.037369
+    0SOL     H3    3   0.001244   0.019561  -0.070128
+    1SOL     O4    4  -0.035639  -0.098859   0.094863
+    1SOL     H5    5   0.014662  -0.060509   0.166706
+    1SOL     H6    6   0.000444  -0.186925   0.084634
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133801   0.041255  -0.019438
+    0SOL     H2    2  -0.164755   0.059868   0.069206
+    0SOL     H3    3  -0.156483   0.119495  -0.069701
+    1SOL     O4    4   0.142995  -0.046234   0.013905
+    1SOL     H5    5   0.126563  -0.099425   0.091770
+    1SOL     H6    6   0.058137  -0.007051  -0.006738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085115   0.108578   0.057433
+    0SOL     H2    2   0.032511   0.158492   0.119914
+    0SOL     H3    3   0.027059   0.038489   0.027780
+    1SOL     O4    4  -0.082929  -0.104297  -0.055489
+    1SOL     H5    5  -0.065504  -0.084569  -0.147519
+    1SOL     H6    6  -0.027179  -0.179659  -0.036127
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044160   0.125982  -0.048973
+    0SOL     H2    2  -0.026632   0.220015  -0.052574
+    0SOL     H3    3  -0.130167   0.119172  -0.007515
+    1SOL     O4    4   0.044452  -0.137198   0.047188
+    1SOL     H5    5   0.010266  -0.047856   0.050587
+    1SOL     H6    6   0.139050  -0.126340   0.037402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030947  -0.146597   0.008834
+    0SOL     H2    2  -0.016832  -0.056924  -0.021527
+    0SOL     H3    3  -0.047581  -0.196642  -0.071048
+    1SOL     O4    4   0.032268   0.137333  -0.001909
+    1SOL     H5    5   0.004306   0.184571  -0.080324
+    1SOL     H6    6   0.041128   0.205137   0.065072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.082955  -0.068973  -0.093622
+    0SOL     H2    2   0.112899  -0.153590  -0.126873
+    0SOL     H3    3   0.031817  -0.031700  -0.165441
+    1SOL     O4    4  -0.086422   0.071348   0.104835
+    1SOL     H5    5  -0.042882   0.000795   0.056992
+    1SOL     H6    6  -0.049429   0.151634   0.068121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051070   0.128753  -0.034037
+    0SOL     H2    2  -0.115978   0.165394  -0.094093
+    0SOL     H3    3  -0.053636   0.186530   0.042237
+    1SOL     O4    4   0.056253  -0.134074   0.039588
+    1SOL     H5    5   0.002285  -0.072308  -0.009755
+    1SOL     H6    6   0.085496  -0.197784  -0.025590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072032   0.027046   0.133959
+    0SOL     H2    2   0.005658   0.094786   0.146921
+    0SOL     H3    3   0.039825  -0.024239   0.059832
+    1SOL     O4    4  -0.060369  -0.027236  -0.126829
+    1SOL     H5    5  -0.148559  -0.040567  -0.092084
+    1SOL     H6    6  -0.071617  -0.028248  -0.221880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083295  -0.022739   0.126095
+    0SOL     H2    2  -0.020158  -0.002788   0.056972
+    0SOL     H3    3  -0.128941   0.059973   0.141508
+    1SOL     O4    4   0.083164   0.020006  -0.117134
+    1SOL     H5    5   0.021976   0.042304  -0.187284
+    1SOL     H6    6   0.129057  -0.057672  -0.149108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054736  -0.123034  -0.052402
+    0SOL     H2    2  -0.123665  -0.101294  -0.115159
+    0SOL     H3    3  -0.017483  -0.204927  -0.085083
+    1SOL     O4    4   0.061132   0.129552   0.054676
+    1SOL     H5    5   0.022649   0.159026   0.137214
+    1SOL     H6    6   0.016917   0.046784   0.035786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014537   0.051018  -0.140732
+    0SOL     H2    2  -0.109036   0.065682  -0.144884
+    0SOL     H3    3   0.021953   0.136252  -0.116942
+    1SOL     O4    4   0.013516  -0.055423   0.143928
+    1SOL     H5    5   0.012969  -0.037449   0.049913
+    1SOL     H6    6   0.097465  -0.098655   0.159608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111721   0.077922   0.070630
+    0SOL     H2    2  -0.033197   0.048401   0.116725
+    0SOL     H3    3  -0.108604   0.173403   0.076635
+    1SOL     O4    4   0.101927  -0.087225  -0.073410
+    1SOL     H5    5   0.117319  -0.026835  -0.146063
+    1SOL     H6    6   0.164912  -0.060693  -0.006393
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043430  -0.011593  -0.142767
+    0SOL     H2    2  -0.025423  -0.078211  -0.209101
+    0SOL     H3    3  -0.138856  -0.010252  -0.135388
+    1SOL     O4    4   0.045839   0.021435   0.150279
+    1SOL     H5    5   0.105745  -0.046317   0.181635
+    1SOL     H6    6   0.025936  -0.003964   0.060162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071596  -0.145543  -0.029117
+    0SOL     H2    2   0.051387  -0.052245  -0.022098
+    0SOL     H3    3  -0.006756  -0.184194  -0.068224
+    1SOL     O4    4  -0.062225   0.142295   0.024710
+    1SOL     H5    5  -0.044055   0.199961   0.098918
+    1SOL     H6    6  -0.133600   0.086109   0.054893
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102701   0.023890  -0.120297
+    0SOL     H2    2  -0.090201   0.002036  -0.212647
+    0SOL     H3    3  -0.025987   0.076386  -0.097462
+    1SOL     O4    4   0.097860  -0.032752   0.125468
+    1SOL     H5    5   0.156673   0.022506   0.073992
+    1SOL     H6    6   0.031923   0.027658   0.159606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028482   0.137304  -0.089223
+    0SOL     H2    2  -0.055121   0.087522  -0.166518
+    0SOL     H3    3   0.023411   0.075590  -0.037641
+    1SOL     O4    4   0.021838  -0.129247   0.086662
+    1SOL     H5    5   0.105464  -0.167190   0.059655
+    1SOL     H6    6   0.027938  -0.123115   0.181991
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057582  -0.092372  -0.133874
+    0SOL     H2    2   0.088791  -0.121573  -0.048226
+    0SOL     H3    3   0.064562   0.003041  -0.130708
+    1SOL     O4    4  -0.054565   0.089630   0.132636
+    1SOL     H5    5  -0.115871   0.016673   0.141650
+    1SOL     H6    6  -0.084820   0.136964   0.055135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075943   0.092303   0.112478
+    0SOL     H2    2  -0.042862   0.178940   0.136183
+    0SOL     H3    3  -0.077577   0.043833   0.195003
+    1SOL     O4    4   0.073968  -0.101347  -0.120099
+    1SOL     H5    5   0.126955  -0.035613  -0.165196
+    1SOL     H6    6   0.026565  -0.052109  -0.053086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091816  -0.149985  -0.002649
+    0SOL     H2    2   0.055767  -0.062442  -0.016754
+    0SOL     H3    3   0.024835  -0.195598   0.048296
+    1SOL     O4    4  -0.079761   0.148980   0.002168
+    1SOL     H5    5  -0.153064   0.127146   0.059721
+    1SOL     H6    6  -0.117152   0.147488  -0.085934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133387  -0.067660   0.071961
+    0SOL     H2    2  -0.175685  -0.140226   0.026055
+    0SOL     H3    3  -0.169342  -0.071122   0.160604
+    1SOL     O4    4   0.139624   0.071716  -0.067361
+    1SOL     H5    5   0.162460   0.009845  -0.136735
+    1SOL     H6    6   0.087626   0.138974  -0.111347
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139402  -0.057335  -0.102598
+    0SOL     H2    2  -0.120209  -0.077462  -0.011007
+    0SOL     H3    3  -0.059648  -0.081485  -0.149698
+    1SOL     O4    4   0.136903   0.059990   0.093708
+    1SOL     H5    5   0.071492  -0.003160   0.123636
+    1SOL     H6    6   0.142567   0.124085   0.164575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035101   0.162684  -0.064097
+    0SOL     H2    2   0.101857   0.116465  -0.114791
+    0SOL     H3    3   0.076934   0.180397   0.020156
+    1SOL     O4    4  -0.041116  -0.162383   0.068424
+    1SOL     H5    5  -0.097913  -0.101459   0.021258
+    1SOL     H6    6   0.014537  -0.200695   0.000621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128547   0.028543  -0.114072
+    0SOL     H2    2   0.201503   0.042461  -0.174454
+    0SOL     H3    3   0.073938   0.106523  -0.124035
+    1SOL     O4    4  -0.128596  -0.029853   0.113310
+    1SOL     H5    5  -0.066628  -0.057349   0.180884
+    1SOL     H6    6  -0.208591  -0.078667   0.132811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023226  -0.126672  -0.130438
+    0SOL     H2    2   0.038489  -0.197377  -0.193130
+    0SOL     H3    3  -0.027026  -0.061585  -0.179435
+    1SOL     O4    4  -0.023067   0.119865   0.137905
+    1SOL     H5    5   0.027339   0.178350   0.194483
+    1SOL     H6    6  -0.043164   0.172662   0.060633
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.176008  -0.064195   0.005128
+    0SOL     H2    2   0.234724  -0.127591  -0.036050
+    0SOL     H3    3   0.182380  -0.082893   0.098787
+    1SOL     O4    4  -0.184162   0.071092  -0.012562
+    1SOL     H5    5  -0.151510   0.117001   0.064824
+    1SOL     H6    6  -0.140832  -0.014219  -0.009919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039734   0.179599   0.096760
+    0SOL     H2    2   0.081875   0.098767   0.067560
+    0SOL     H3    3   0.007447   0.220239   0.016335
+    1SOL     O4    4  -0.046018  -0.180258  -0.091419
+    1SOL     H5    5   0.020680  -0.151613  -0.153814
+    1SOL     H6    6  -0.010327  -0.156903  -0.005728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033030  -0.193676   0.079325
+    0SOL     H2    2   0.044530  -0.142471   0.056415
+    0SOL     H3    3  -0.083869  -0.197773  -0.001674
+    1SOL     O4    4   0.030321   0.189678  -0.066331
+    1SOL     H5    5   0.084169   0.255889  -0.109676
+    1SOL     H6    6  -0.009323   0.140255  -0.138081
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.048492   0.122425  -0.159299
+    0SOL     H2    2   0.093304   0.174888  -0.092953
+    0SOL     H3    3   0.065523   0.168199  -0.241622
+    1SOL     O4    4  -0.048858  -0.125711   0.166165
+    1SOL     H5    5  -0.026722  -0.201628   0.112231
+    1SOL     H6    6  -0.126351  -0.088278   0.124261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010692  -0.211087   0.051590
+    0SOL     H2    2   0.008100  -0.125914   0.091019
+    0SOL     H3    3  -0.089926  -0.241171   0.096078
+    1SOL     O4    4   0.013750   0.206089  -0.063023
+    1SOL     H5    5   0.021810   0.292630  -0.022923
+    1SOL     H6    6   0.011336   0.145464   0.011011
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041440   0.200045   0.146572
+    0SOL     H2    2  -0.006304   0.124478   0.099482
+    0SOL     H3    3   0.005671   0.200425   0.229896
+    1SOL     O4    4   0.036319  -0.189211  -0.146794
+    1SOL     H5    5   0.054198  -0.268355  -0.096010
+    1SOL     H6    6   0.023151  -0.220573  -0.236267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026029  -0.211826  -0.117268
+    0SOL     H2    2  -0.045865  -0.298362  -0.081484
+    0SOL     H3    3   0.042898  -0.227744  -0.181750
+    1SOL     O4    4   0.022450   0.222572   0.124231
+    1SOL     H5    5   0.096693   0.209029   0.065351
+    1SOL     H6    6  -0.043450   0.159796   0.094590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037708  -0.122353  -0.209747
+    0SOL     H2    2  -0.038943  -0.214805  -0.184977
+    0SOL     H3    3   0.015401  -0.119538  -0.289333
+    1SOL     O4    4   0.039847   0.131368   0.214416
+    1SOL     H5    5  -0.012763   0.077100   0.273148
+    1SOL     H6    6  -0.002974   0.123002   0.129217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044557  -0.000304  -0.258879
+    0SOL     H2    2   0.005972   0.072029  -0.221772
+    0SOL     H3    3  -0.040996  -0.068801  -0.192113
+    1SOL     O4    4   0.043206  -0.005496   0.251005
+    1SOL     H5    5  -0.017794   0.017463   0.321107
+    1SOL     H6    6   0.075314   0.078660   0.218614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092829  -0.235265   0.084141
+    0SOL     H2    2   0.042619  -0.297423   0.136844
+    0SOL     H3    3   0.030541  -0.165621   0.063350
+    1SOL     O4    4  -0.086920   0.240743  -0.088417
+    1SOL     H5    5  -0.049497   0.217217  -0.003515
+    1SOL     H6    6  -0.106735   0.156831  -0.129992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113454  -0.218835   0.093713
+    0SOL     H2    2   0.205754  -0.242215   0.083903
+    0SOL     H3    3   0.067378  -0.277179   0.033419
+    1SOL     O4    4  -0.118236   0.219603  -0.095049
+    1SOL     H5    5  -0.103681   0.188083  -0.005847
+    1SOL     H6    6  -0.090640   0.311234  -0.092925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074009   0.202182  -0.183798
+    0SOL     H2    2  -0.097492   0.231126  -0.095633
+    0SOL     H3    3  -0.112938   0.115086  -0.191628
+    1SOL     O4    4   0.077515  -0.205344   0.177786
+    1SOL     H5    5   0.008317  -0.152796   0.217943
+    1SOL     H6    6   0.148368  -0.143138   0.161275
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062842  -0.249733   0.137098
+    0SOL     H2    2  -0.027442  -0.241276   0.048567
+    0SOL     H3    3  -0.030987  -0.334662   0.167670
+    1SOL     O4    4   0.059302   0.247333  -0.134057
+    1SOL     H5    5   0.026732   0.303277  -0.204568
+    1SOL     H6    6   0.083517   0.308265  -0.064320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064533   0.207041  -0.232895
+    0SOL     H2    2  -0.040469   0.227056  -0.142437
+    0SOL     H3    3  -0.002995   0.138740  -0.259547
+    1SOL     O4    4   0.064429  -0.199244   0.231211
+    1SOL     H5    5   0.075028  -0.294128   0.224354
+    1SOL     H6    6  -0.026508  -0.183363   0.205900
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017302   0.204284   0.252365
+    0SOL     H2    2  -0.078411   0.203360   0.251624
+    0SOL     H3    3   0.042128   0.112199   0.260517
+    1SOL     O4    4  -0.013730  -0.196775  -0.246580
+    1SOL     H5    5  -0.085630  -0.203524  -0.309407
+    1SOL     H6    6   0.063613  -0.224798  -0.295520
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043858  -0.315043   0.093665
+    0SOL     H2    2  -0.132920  -0.348890   0.084464
+    0SOL     H3    3   0.004654  -0.355232   0.021597
+    1SOL     O4    4   0.051023   0.322071  -0.092005
+    1SOL     H5    5   0.055841   0.248882  -0.030502
+    1SOL     H6    6  -0.040723   0.349275  -0.089796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025441   0.334989   0.040661
+    0SOL     H2    2   0.030582   0.340396   0.118085
+    0SOL     H3    3  -0.095096   0.274269   0.065633
+    1SOL     O4    4   0.028201  -0.338108  -0.045724
+    1SOL     H5    5  -0.061679  -0.305313  -0.042825
+    1SOL     H6    6   0.081482  -0.260569  -0.063366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025147   0.322847  -0.120303
+    0SOL     H2    2  -0.033450   0.346083  -0.212788
+    0SOL     H3    3  -0.006124   0.229038  -0.120741
+    1SOL     O4    4   0.024946  -0.318640   0.119475
+    1SOL     H5    5   0.037899  -0.394933   0.175812
+    1SOL     H6    6   0.004796  -0.247265   0.179989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000860   0.371939   0.203126
+    0SOL     H2    2  -0.078516   0.315981   0.202308
+    0SOL     H3    3   0.071677   0.312611   0.183605
+    1SOL     O4    4   0.003407  -0.358618  -0.203106
+    1SOL     H5    5   0.053820  -0.431899  -0.167740
+    1SOL     H6    6  -0.084041  -0.394599  -0.217959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043000  -0.317003   0.415051
+    0SOL     H2    2   0.115245  -0.305083   0.476703
+    0SOL     H3    3  -0.030335  -0.345960   0.469326
+    1SOL     O4    4  -0.043902   0.311705  -0.423862
+    1SOL     H5    5   0.038838   0.353206  -0.399490
+    1SOL     H6    6  -0.110143   0.378857  -0.407585
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066112  -0.056941   0.102008
+    0SOL     H2    2  -0.043356  -0.147117   0.079365
+    0SOL     H3    3  -0.022560  -0.003751   0.035402
+    1SOL     O4    4   0.056026   0.059558  -0.095862
+    1SOL     H5    5   0.099664  -0.013034  -0.140454
+    1SOL     H6    6   0.126386   0.121389  -0.076147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039570   0.079377   0.101349
+    0SOL     H2    2   0.004318   0.017091   0.037788
+    0SOL     H3    3   0.134409   0.067262   0.096763
+    1SOL     O4    4  -0.043579  -0.071215  -0.090378
+    1SOL     H5    5  -0.061446  -0.164047  -0.105388
+    1SOL     H6    6  -0.019478  -0.037177  -0.176534
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021784  -0.119828  -0.038199
+    0SOL     H2    2  -0.079017  -0.125336  -0.114726
+    0SOL     H3    3   0.063082  -0.151249  -0.069389
+    1SOL     O4    4   0.026005   0.124556   0.046345
+    1SOL     H5    5   0.009485   0.034029   0.019996
+    1SOL     H6    6  -0.057202   0.169459   0.031424
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011343  -0.107788   0.061538
+    0SOL     H2    2   0.049478  -0.181585   0.013978
+    0SOL     H3    3   0.033992  -0.123976   0.153120
+    1SOL     O4    4  -0.014888   0.114276  -0.070779
+    1SOL     H5    5  -0.029908   0.032415  -0.023498
+    1SOL     H6    6  -0.004659   0.180140  -0.002080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077012   0.042838  -0.100524
+    0SOL     H2    2  -0.007973   0.048697  -0.034481
+    0SOL     H3    3  -0.043444   0.092959  -0.174843
+    1SOL     O4    4   0.071954  -0.039368   0.098996
+    1SOL     H5    5   0.118017  -0.116048   0.064928
+    1SOL     H6    6   0.012272  -0.074597   0.165022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026337   0.044708  -0.116629
+    0SOL     H2    2  -0.060103   0.069525  -0.149409
+    0SOL     H3    3   0.085775   0.109736  -0.154055
+    1SOL     O4    4  -0.028069  -0.056568   0.121234
+    1SOL     H5    5   0.001750  -0.011508   0.042223
+    1SOL     H6    6  -0.007061   0.003673   0.192592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107522   0.008589   0.071578
+    0SOL     H2    2  -0.108324  -0.055220   0.142924
+    0SOL     H3    3  -0.178427  -0.019301   0.013640
+    1SOL     O4    4   0.111959   0.001614  -0.077623
+    1SOL     H5    5   0.055068   0.000170  -0.000658
+    1SOL     H6    6   0.166914  -0.076204  -0.068309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073733  -0.094105   0.065024
+    0SOL     H2    2   0.059628  -0.019312   0.006978
+    0SOL     H3    3   0.111316  -0.161597   0.008502
+    1SOL     O4    4  -0.070472   0.092887  -0.053594
+    1SOL     H5    5  -0.057959   0.102907  -0.147962
+    1SOL     H6    6  -0.165409   0.095194  -0.041595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022558   0.116588   0.049961
+    0SOL     H2    2  -0.008098   0.207252   0.051563
+    0SOL     H3    3   0.013605   0.086625   0.140428
+    1SOL     O4    4  -0.017049  -0.125341  -0.052169
+    1SOL     H5    5   0.004911  -0.032646  -0.042796
+    1SOL     H6    6  -0.093582  -0.126178  -0.109652
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008320  -0.101151  -0.081451
+    0SOL     H2    2   0.040339  -0.146839  -0.159231
+    0SOL     H3    3  -0.086204  -0.094268  -0.094873
+    1SOL     O4    4  -0.000051   0.104249   0.090958
+    1SOL     H5    5  -0.076645   0.158056   0.070945
+    1SOL     H6    6  -0.005077   0.031389   0.029083
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018403   0.068435  -0.107845
+    0SOL     H2    2   0.048165   0.067849  -0.198819
+    0SOL     H3    3   0.052251   0.150504  -0.072050
+    1SOL     O4    4  -0.019168  -0.078485   0.114335
+    1SOL     H5    5  -0.094079  -0.024134   0.138759
+    1SOL     H6    6   0.008812  -0.044069   0.029512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127457  -0.003929  -0.057133
+    0SOL     H2    2   0.040980  -0.012213  -0.016939
+    0SOL     H3    3   0.113571   0.053713  -0.132279
+    1SOL     O4    4  -0.119255  -0.003295   0.054453
+    1SOL     H5    5  -0.137805  -0.021084   0.146658
+    1SOL     H6    6  -0.137604   0.090050   0.043856
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076975  -0.023440   0.112259
+    0SOL     H2    2   0.138350   0.049275   0.122646
+    0SOL     H3    3   0.049961  -0.019128   0.020532
+    1SOL     O4    4  -0.073060   0.018153  -0.111420
+    1SOL     H5    5  -0.141294  -0.045171  -0.089138
+    1SOL     H6    6  -0.104795   0.101149  -0.075828
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038518  -0.126495   0.039547
+    0SOL     H2    2   0.019422  -0.032742   0.042377
+    0SOL     H3    3   0.122736  -0.135192   0.084200
+    1SOL     O4    4  -0.039716   0.115585  -0.039451
+    1SOL     H5    5  -0.073202   0.193393   0.005123
+    1SOL     H6    6  -0.048516   0.135653  -0.132629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007890   0.022238  -0.136845
+    0SOL     H2    2  -0.014188   0.023661  -0.043717
+    0SOL     H3    3   0.023014   0.114043  -0.159329
+    1SOL     O4    4  -0.010787  -0.022706   0.127695
+    1SOL     H5    5   0.081849  -0.025620   0.151618
+    1SOL     H6    6  -0.052092  -0.088511   0.183604
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051879  -0.058265   0.103971
+    0SOL     H2    2   0.042022  -0.153455   0.105988
+    0SOL     H3    3   0.141848  -0.042839   0.132777
+    1SOL     O4    4  -0.055651   0.069436  -0.106632
+    1SOL     H5    5  -0.016374   0.009801  -0.042888
+    1SOL     H6    6  -0.116869   0.014868  -0.155999
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024551   0.067164  -0.111202
+    0SOL     H2    2  -0.044755   0.159320  -0.127366
+    0SOL     H3    3   0.068633   0.059098  -0.131552
+    1SOL     O4    4   0.021262  -0.070266   0.120101
+    1SOL     H5    5   0.004385  -0.015608   0.043354
+    1SOL     H6    6   0.021673  -0.159778   0.086193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025354  -0.065849   0.111509
+    0SOL     H2    2  -0.055640  -0.004346   0.178310
+    0SOL     H3    3  -0.098273  -0.126817   0.100194
+    1SOL     O4    4   0.029578   0.071885  -0.116973
+    1SOL     H5    5   0.066007  -0.002513  -0.164934
+    1SOL     H6    6   0.020880   0.040481  -0.026970
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073180   0.087372   0.083285
+    0SOL     H2    2   0.067151   0.153249   0.014103
+    0SOL     H3    3   0.027470   0.011102   0.047846
+    1SOL     O4    4  -0.072844  -0.082910  -0.073006
+    1SOL     H5    5  -0.023070  -0.162954  -0.056336
+    1SOL     H6    6  -0.078544  -0.077623  -0.168409
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126308  -0.013364  -0.063028
+    0SOL     H2    2  -0.135343  -0.100098  -0.023557
+    0SOL     H3    3  -0.032883   0.006396  -0.056421
+    1SOL     O4    4   0.116548   0.012890   0.058224
+    1SOL     H5    5   0.105210   0.098927   0.098615
+    1SOL     H6    6   0.211384   0.000481   0.054404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042562   0.062108  -0.119593
+    0SOL     H2    2  -0.074906   0.146545  -0.088184
+    0SOL     H3    3  -0.015801   0.015655  -0.040294
+    1SOL     O4    4   0.042957  -0.062095   0.105642
+    1SOL     H5    5  -0.030557  -0.073079   0.165952
+    1SOL     H6    6   0.119522  -0.090153   0.155771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033394   0.055780  -0.123433
+    0SOL     H2    2  -0.012357   0.147707  -0.139839
+    0SOL     H3    3   0.012745   0.034720  -0.042254
+    1SOL     O4    4   0.026774  -0.053471   0.119473
+    1SOL     H5    5   0.114412  -0.073228   0.152513
+    1SOL     H6    6  -0.008896  -0.138483   0.093725
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047448   0.086374  -0.088836
+    0SOL     H2    2  -0.020154   0.154083  -0.091634
+    0SOL     H3    3   0.129138   0.134545  -0.075845
+    1SOL     O4    4  -0.052382  -0.098820   0.086391
+    1SOL     H5    5  -0.015019  -0.032326   0.028556
+    1SOL     H6    6  -0.022324  -0.074177   0.173863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002624   0.125967  -0.054512
+    0SOL     H2    2  -0.058495   0.113869  -0.131287
+    0SOL     H3    3  -0.063843   0.135715   0.018423
+    1SOL     O4    4   0.005814  -0.131899   0.054888
+    1SOL     H5    5  -0.026712  -0.041958   0.058784
+    1SOL     H6    6   0.100791  -0.122762   0.047260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018415  -0.138059   0.035973
+    0SOL     H2    2  -0.029017  -0.096846   0.121713
+    0SOL     H3    3  -0.013555  -0.064794  -0.025435
+    1SOL     O4    4   0.014652   0.128509  -0.040954
+    1SOL     H5    5   0.106158   0.143995  -0.064389
+    1SOL     H6    6   0.005845   0.165285   0.046980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083302   0.084823  -0.076325
+    0SOL     H2    2  -0.077000   0.173314  -0.040382
+    0SOL     H3    3  -0.026056   0.032137  -0.020563
+    1SOL     O4    4   0.073560  -0.087554   0.070794
+    1SOL     H5    5   0.124105  -0.027633   0.125721
+    1SOL     H6    6   0.139499  -0.135796   0.020922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097975  -0.093874   0.039587
+    0SOL     H2    2  -0.173801  -0.044336   0.070551
+    0SOL     H3    3  -0.031534  -0.027342   0.021660
+    1SOL     O4    4   0.092116   0.085643  -0.042962
+    1SOL     H5    5   0.117625   0.167359  -0.000134
+    1SOL     H6    6   0.171654   0.032392  -0.042369
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053743   0.036632   0.113907
+    0SOL     H2    2  -0.128055   0.007770   0.166887
+    0SOL     H3    3   0.007828   0.073725   0.177118
+    1SOL     O4    4   0.057335  -0.032748  -0.125823
+    1SOL     H5    5   0.020984  -0.011351  -0.039898
+    1SOL     H6    6   0.047921  -0.127742  -0.132883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075099   0.028920   0.111238
+    0SOL     H2    2   0.036205   0.102708   0.158194
+    0SOL     H3    3   0.141689   0.068617   0.055093
+    1SOL     O4    4  -0.080629  -0.040547  -0.113317
+    1SOL     H5    5  -0.030366  -0.041975  -0.031868
+    1SOL     H6    6  -0.061992   0.045219  -0.151517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047302  -0.105319  -0.072369
+    0SOL     H2    2  -0.042467  -0.088430  -0.166463
+    0SOL     H3    3  -0.140478  -0.118935  -0.055188
+    1SOL     O4    4   0.054167   0.105983   0.082825
+    1SOL     H5    5   0.066775   0.164122   0.007837
+    1SOL     H6    6   0.001070   0.034008   0.048728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017393   0.108148   0.085457
+    0SOL     H2    2   0.025356   0.168560   0.011637
+    0SOL     H3    3  -0.074353   0.114617   0.111972
+    1SOL     O4    4  -0.015687  -0.114978  -0.088365
+    1SOL     H5    5   0.061997  -0.146150  -0.041935
+    1SOL     H6    6  -0.043257  -0.037361  -0.039602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012654  -0.085352  -0.113935
+    0SOL     H2    2  -0.017890  -0.021015  -0.049981
+    0SOL     H3    3   0.024529  -0.035224  -0.194610
+    1SOL     O4    4  -0.012924   0.074157   0.111334
+    1SOL     H5    5   0.006330   0.070174   0.205013
+    1SOL     H6    6  -0.007325   0.167213   0.089619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073223  -0.083551   0.090507
+    0SOL     H2    2  -0.035503  -0.030848   0.020065
+    0SOL     H3    3  -0.165296  -0.093558   0.066328
+    1SOL     O4    4   0.069834   0.080919  -0.085184
+    1SOL     H5    5   0.131133   0.019714  -0.125912
+    1SOL     H6    6   0.125635   0.145574  -0.041960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076451  -0.031135  -0.108793
+    0SOL     H2    2   0.096812  -0.124211  -0.117995
+    0SOL     H3    3   0.161258   0.010606  -0.093705
+    1SOL     O4    4  -0.088244   0.034367   0.107431
+    1SOL     H5    5  -0.022888   0.007709   0.042777
+    1SOL     H6    6  -0.037758   0.051509   0.186927
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007444   0.101394  -0.089005
+    0SOL     H2    2   0.078379   0.108523  -0.152877
+    0SOL     H3    3   0.005407   0.186770  -0.045773
+    1SOL     O4    4  -0.006682  -0.111625   0.089488
+    1SOL     H5    5  -0.078046  -0.104302   0.152859
+    1SOL     H6    6  -0.013161  -0.032011   0.036743
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009176  -0.050036  -0.125946
+    0SOL     H2    2  -0.088845  -0.102067  -0.115559
+    0SOL     H3    3  -0.021831  -0.002953  -0.208319
+    1SOL     O4    4   0.015956   0.056970   0.131094
+    1SOL     H5    5   0.055528  -0.005673   0.070494
+    1SOL     H6    6  -0.052992   0.007377   0.175242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065584   0.075030   0.101247
+    0SOL     H2    2   0.010558   0.003170   0.070091
+    0SOL     H3    3   0.038313   0.088532   0.192001
+    1SOL     O4    4  -0.057127  -0.076600  -0.100625
+    1SOL     H5    5  -0.149744  -0.054214  -0.091498
+    1SOL     H6    6  -0.026692  -0.023336  -0.174103
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060832  -0.118808   0.021953
+    0SOL     H2    2  -0.139114  -0.173169   0.013054
+    0SOL     H3    3   0.011887  -0.178245   0.003477
+    1SOL     O4    4   0.063008   0.127337  -0.026739
+    1SOL     H5    5   0.086632   0.174691   0.053022
+    1SOL     H6    6   0.008915   0.054484   0.003735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044373   0.118956   0.048796
+    0SOL     H2    2   0.138542   0.110402   0.063675
+    0SOL     H3    3   0.013411   0.173036   0.121454
+    1SOL     O4    4  -0.053643  -0.120247  -0.057543
+    1SOL     H5    5  -0.010987  -0.205028  -0.045100
+    1SOL     H6    6  -0.001200  -0.059166  -0.005763
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.142010   0.000445  -0.022176
+    0SOL     H2    2  -0.056393   0.016326   0.017572
+    0SOL     H3    3  -0.204547   0.015553   0.048697
+    1SOL     O4    4   0.138068   0.001457   0.020320
+    1SOL     H5    5   0.170301   0.031425  -0.064681
+    1SOL     H6    6   0.152577  -0.093154   0.019490
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040908  -0.128070   0.019525
+    0SOL     H2    2   0.134321  -0.117150   0.037329
+    0SOL     H3    3   0.027171  -0.222792   0.020671
+    1SOL     O4    4  -0.045045   0.135444  -0.026255
+    1SOL     H5    5  -0.066308   0.179313   0.056121
+    1SOL     H6    6  -0.030113   0.044149  -0.001668
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035222  -0.050494   0.121440
+    0SOL     H2    2   0.025280  -0.026589   0.191657
+    0SOL     H3    3  -0.117261  -0.070867   0.166349
+    1SOL     O4    4   0.034624   0.050476  -0.134080
+    1SOL     H5    5   0.114845   0.087859  -0.097619
+    1SOL     H6    6  -0.009836   0.011177  -0.058972
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016996  -0.144935  -0.029317
+    0SOL     H2    2  -0.046330  -0.148749   0.061718
+    0SOL     H3    3   0.003271  -0.052568  -0.044150
+    1SOL     O4    4   0.016516   0.137628   0.018464
+    1SOL     H5    5   0.096814   0.139589   0.070528
+    1SOL     H6    6  -0.050230   0.175204   0.075869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046104   0.120896   0.064270
+    0SOL     H2    2  -0.049240   0.140181   0.157975
+    0SOL     H3    3  -0.029374   0.026761   0.059689
+    1SOL     O4    4   0.049687  -0.111271  -0.068314
+    1SOL     H5    5  -0.008639  -0.123408  -0.143235
+    1SOL     H6    6   0.035148  -0.188602  -0.013808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.107021   0.012740   0.102015
+    0SOL     H2    2   0.157193   0.085956   0.066175
+    0SOL     H3    3   0.042193  -0.007265   0.034491
+    1SOL     O4    4  -0.099620  -0.015499  -0.097625
+    1SOL     H5    5  -0.166431  -0.076961  -0.127974
+    1SOL     H6    6  -0.142179   0.033347  -0.027162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099684  -0.097052  -0.010930
+    0SOL     H2    2  -0.169965  -0.128451   0.045964
+    0SOL     H3    3  -0.144870  -0.060959  -0.087205
+    1SOL     O4    4   0.113485   0.095563   0.011217
+    1SOL     H5    5   0.072034   0.175261   0.044267
+    1SOL     H6    6   0.040658   0.035626  -0.005095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014608  -0.101813   0.106650
+    0SOL     H2    2   0.042319  -0.081051   0.180748
+    0SOL     H3    3   0.001092  -0.031315   0.043834
+    1SOL     O4    4   0.006873   0.092960  -0.102953
+    1SOL     H5    5   0.034361   0.068833  -0.191409
+    1SOL     H6    6   0.043117   0.180542  -0.089609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022569   0.149800  -0.001895
+    0SOL     H2    2   0.061110   0.132075   0.041070
+    0SOL     H3    3  -0.061889   0.063431  -0.014411
+    1SOL     O4    4   0.020904  -0.138407   0.004323
+    1SOL     H5    5   0.070352  -0.158580  -0.075114
+    1SOL     H6    6  -0.041729  -0.210326   0.012517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031076  -0.132366  -0.031322
+    0SOL     H2    2   0.119408  -0.162663  -0.052342
+    0SOL     H3    3  -0.025777  -0.180717  -0.091258
+    1SOL     O4    4  -0.029796   0.142710   0.039944
+    1SOL     H5    5   0.013751   0.062762   0.010375
+    1SOL     H6    6  -0.120191   0.133320   0.009896
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061246   0.120606  -0.039459
+    0SOL     H2    2  -0.089666   0.187628   0.022691
+    0SOL     H3    3   0.004528   0.164352  -0.093519
+    1SOL     O4    4   0.055768  -0.133300   0.041827
+    1SOL     H5    5   0.132090  -0.128366  -0.015732
+    1SOL     H6    6   0.029671  -0.042146   0.054947
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071659   0.112660   0.063524
+    0SOL     H2    2   0.007181   0.042768   0.052565
+    0SOL     H3    3   0.043260   0.159409   0.142076
+    1SOL     O4    4  -0.061902  -0.111424  -0.062177
+    1SOL     H5    5  -0.047718  -0.141010  -0.152098
+    1SOL     H6    6  -0.152131  -0.079482  -0.061373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068183   0.073197  -0.114531
+    0SOL     H2    2  -0.141531   0.011877  -0.119247
+    0SOL     H3    3  -0.010269   0.036259  -0.047868
+    1SOL     O4    4   0.071434  -0.060857   0.109492
+    1SOL     H5    5  -0.012998  -0.086475   0.146605
+    1SOL     H6    6   0.116902  -0.143632   0.093897
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035814   0.147919  -0.005158
+    0SOL     H2    2   0.023071   0.053174  -0.009987
+    0SOL     H3    3  -0.041460   0.184741  -0.047998
+    1SOL     O4    4  -0.026807  -0.140762   0.003407
+    1SOL     H5    5  -0.120064  -0.131383   0.022836
+    1SOL     H6    6   0.001927  -0.213713   0.058316
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067427   0.131927   0.003659
+    0SOL     H2    2  -0.056844   0.153253   0.096371
+    0SOL     H3    3  -0.000820   0.184373  -0.040785
+    1SOL     O4    4   0.061023  -0.142000  -0.003442
+    1SOL     H5    5   0.010339  -0.062796  -0.021338
+    1SOL     H6    6   0.145030  -0.127045  -0.046817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.105074   0.065409   0.091696
+    0SOL     H2    2  -0.057871   0.123895   0.150971
+    0SOL     H3    3  -0.036592   0.024409   0.038861
+    1SOL     O4    4   0.096715  -0.059479  -0.091251
+    1SOL     H5    5   0.045487  -0.128728  -0.132994
+    1SOL     H6    6   0.177491  -0.102743  -0.063579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079271  -0.118722  -0.056746
+    0SOL     H2    2  -0.048927  -0.046939  -0.001171
+    0SOL     H3    3  -0.102957  -0.188239   0.004644
+    1SOL     O4    4   0.076720   0.114599   0.055463
+    1SOL     H5    5   0.150307   0.102333  -0.004510
+    1SOL     H6    6   0.038734   0.198676   0.029962
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039934   0.055373   0.130741
+    0SOL     H2    2   0.125225   0.013300   0.141585
+    0SOL     H3    3  -0.000072   0.051259   0.217602
+    1SOL     O4    4  -0.041162  -0.059274  -0.137238
+    1SOL     H5    5   0.002174  -0.001873  -0.074076
+    1SOL     H6    6  -0.106017  -0.003319  -0.179960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067366   0.131391   0.013376
+    0SOL     H2    2   0.035043   0.186283  -0.058070
+    0SOL     H3    3   0.162017   0.127438  -0.000331
+    1SOL     O4    4  -0.070093  -0.139265  -0.012620
+    1SOL     H5    5  -0.120559  -0.142317   0.068659
+    1SOL     H6    6  -0.036806  -0.049619  -0.016848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113963  -0.106033  -0.006571
+    0SOL     H2    2   0.067722  -0.103831   0.077209
+    0SOL     H3    3   0.049929  -0.141222  -0.068408
+    1SOL     O4    4  -0.106748   0.113702   0.008963
+    1SOL     H5    5  -0.071287   0.094805  -0.077914
+    1SOL     H6    6  -0.154734   0.034459   0.033054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083733   0.047331  -0.118518
+    0SOL     H2    2   0.161978  -0.007738  -0.115819
+    0SOL     H3    3   0.095642   0.109486  -0.046704
+    1SOL     O4    4  -0.084393  -0.051610   0.116756
+    1SOL     H5    5  -0.093034  -0.015327   0.028601
+    1SOL     H6    6  -0.161487  -0.019553   0.163565
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002637   0.124374   0.098017
+    0SOL     H2    2   0.014906   0.048623   0.042192
+    0SOL     H3    3  -0.037082   0.086960   0.179110
+    1SOL     O4    4   0.004816  -0.111477  -0.095862
+    1SOL     H5    5  -0.067369  -0.129411  -0.156112
+    1SOL     H6    6   0.058828  -0.190442  -0.098942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074823   0.132784  -0.019077
+    0SOL     H2    2   0.002002   0.184146   0.005864
+    0SOL     H3    3  -0.140988   0.155260   0.046340
+    1SOL     O4    4   0.078948  -0.140340   0.018430
+    1SOL     H5    5   0.039532  -0.175712  -0.061304
+    1SOL     H6    6   0.044484  -0.051264   0.024760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111228   0.028239  -0.102792
+    0SOL     H2    2   0.099380   0.115179  -0.064539
+    0SOL     H3    3   0.126291   0.044816  -0.195854
+    1SOL     O4    4  -0.117472  -0.036063   0.106618
+    1SOL     H5    5  -0.040348  -0.088018   0.129309
+    1SOL     H6    6  -0.082011   0.047346   0.075834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075975  -0.118772   0.085683
+    0SOL     H2    2  -0.006195  -0.129636   0.021068
+    0SOL     H3    3  -0.125441  -0.042771   0.055036
+    1SOL     O4    4   0.069185   0.116059  -0.082909
+    1SOL     H5    5   0.116147   0.169312  -0.018715
+    1SOL     H6    6   0.123603   0.038071  -0.093808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066409   0.086221   0.109787
+    0SOL     H2    2   0.063449   0.131779   0.193918
+    0SOL     H3    3   0.137210   0.022534   0.119460
+    1SOL     O4    4  -0.065465  -0.087140  -0.118806
+    1SOL     H5    5  -0.160105  -0.098509  -0.127532
+    1SOL     H6    6  -0.054540  -0.038949  -0.036827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054468   0.040502   0.152800
+    0SOL     H2    2  -0.019140   0.018547   0.095685
+    0SOL     H3    3   0.130580   0.001290   0.110003
+    1SOL     O4    4  -0.054325  -0.038234  -0.140889
+    1SOL     H5    5  -0.036790   0.045800  -0.183235
+    1SOL     H6    6  -0.075330  -0.097539  -0.213028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013730   0.112610   0.121287
+    0SOL     H2    2  -0.068577   0.102840   0.169166
+    0SOL     H3    3   0.011387   0.043439   0.055165
+    1SOL     O4    4  -0.006706  -0.111381  -0.115126
+    1SOL     H5    5  -0.097950  -0.083823  -0.123917
+    1SOL     H6    6   0.033914  -0.086756  -0.198228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005924  -0.083619  -0.148603
+    0SOL     H2    2   0.058403  -0.044907  -0.207981
+    0SOL     H3    3  -0.005496  -0.026202  -0.072018
+    1SOL     O4    4   0.002500   0.072217   0.145341
+    1SOL     H5    5   0.011301   0.156927   0.101649
+    1SOL     H6    6  -0.011089   0.094064   0.237538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021266  -0.147181   0.083793
+    0SOL     H2    2   0.055139  -0.178413   0.167695
+    0SOL     H3    3   0.027446  -0.051826   0.089416
+    1SOL     O4    4  -0.026804   0.138578  -0.086736
+    1SOL     H5    5   0.065973   0.143650  -0.109736
+    1SOL     H6    6  -0.061075   0.225886  -0.105844
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111389   0.118072   0.086759
+    0SOL     H2    2   0.048018   0.048106   0.070912
+    0SOL     H3    3   0.082394   0.158664   0.168452
+    1SOL     O4    4  -0.106608  -0.120044  -0.084313
+    1SOL     H5    5  -0.164792  -0.050036  -0.113905
+    1SOL     H6    6  -0.043875  -0.130931  -0.155786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094450   0.013083   0.164540
+    0SOL     H2    2   0.083622   0.010906   0.069459
+    0SOL     H3    3   0.120692  -0.075995   0.187751
+    1SOL     O4    4  -0.093061  -0.009260  -0.153899
+    1SOL     H5    5  -0.130044  -0.070696  -0.217303
+    1SOL     H6    6  -0.095198   0.075421  -0.198474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008357   0.192898   0.035450
+    0SOL     H2    2   0.050039   0.129411   0.093711
+    0SOL     H3    3  -0.007275   0.144437  -0.045603
+    1SOL     O4    4  -0.014658  -0.182622  -0.030244
+    1SOL     H5    5   0.003630  -0.276414  -0.024674
+    1SOL     H6    6   0.046240  -0.150197  -0.096594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.175161   0.048697  -0.084074
+    0SOL     H2    2   0.232650  -0.024790  -0.062699
+    0SOL     H3    3   0.129681   0.068210  -0.002140
+    1SOL     O4    4  -0.180311  -0.047471   0.082932
+    1SOL     H5    5  -0.106473   0.013013   0.090142
+    1SOL     H6    6  -0.180239  -0.074596  -0.008864
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021570   0.175106  -0.109292
+    0SOL     H2    2   0.059219   0.089825  -0.131018
+    0SOL     H3    3  -0.064333   0.154702  -0.072324
+    1SOL     O4    4  -0.018411  -0.168857   0.102479
+    1SOL     H5    5  -0.081572  -0.227899   0.143552
+    1SOL     H6    6   0.025156  -0.125506   0.175861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004132   0.052920   0.221817
+    0SOL     H2    2  -0.086500   0.022134   0.221218
+    0SOL     H3    3   0.050176  -0.006870   0.162932
+    1SOL     O4    4   0.003068  -0.043855  -0.219307
+    1SOL     H5    5  -0.080472  -0.030756  -0.174453
+    1SOL     H6    6  -0.000691  -0.134031  -0.251188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125431  -0.183995  -0.042054
+    0SOL     H2    2   0.083065  -0.240030   0.022965
+    0SOL     H3    3   0.065972  -0.185077  -0.117059
+    1SOL     O4    4  -0.119473   0.194115   0.041747
+    1SOL     H5    5  -0.105397   0.140128   0.119525
+    1SOL     H6    6  -0.138797   0.131329  -0.027872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016279   0.249052   0.059376
+    0SOL     H2    2  -0.074673   0.211684  -0.006625
+    0SOL     H3    3  -0.003540   0.178532   0.122835
+    1SOL     O4    4   0.014535  -0.246208  -0.063095
+    1SOL     H5    5   0.023637  -0.247644   0.032181
+    1SOL     H6    6   0.079828  -0.182684  -0.092486
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081711   0.083613  -0.225705
+    0SOL     H2    2   0.134142   0.092140  -0.146077
+    0SOL     H3    3   0.086441  -0.009424  -0.247704
+    1SOL     O4    4  -0.083835  -0.076512   0.216808
+    1SOL     H5    5  -0.165754  -0.091436   0.264019
+    1SOL     H6    6  -0.015582  -0.104981   0.277581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.048021   0.266894   0.009263
+    0SOL     H2    2  -0.019584   0.237651  -0.051866
+    0SOL     H3    3   0.105950   0.321855  -0.043518
+    1SOL     O4    4  -0.049644  -0.274644  -0.003858
+    1SOL     H5    5  -0.102206  -0.196050  -0.018772
+    1SOL     H6    6   0.037440  -0.241480   0.018024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070023  -0.277007  -0.047943
+    0SOL     H2    2  -0.020657  -0.198829  -0.023170
+    0SOL     H3    3  -0.160126  -0.257704  -0.022036
+    1SOL     O4    4   0.069575   0.265304   0.046691
+    1SOL     H5    5   0.048192   0.352228   0.080590
+    1SOL     H6    6   0.139340   0.280867  -0.016972
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061093   0.144721  -0.255526
+    0SOL     H2    2   0.027178   0.165654  -0.286060
+    0SOL     H3    3  -0.074205   0.201282  -0.179425
+    1SOL     O4    4   0.055361  -0.154464   0.248739
+    1SOL     H5    5  -0.005555  -0.093951   0.291043
+    1SOL     H6    6   0.141971  -0.124703   0.276582
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.167100   0.244257   0.047524
+    0SOL     H2    2   0.197582   0.229462   0.137046
+    0SOL     H3    3   0.238353   0.212098  -0.007712
+    1SOL     O4    4  -0.175627  -0.243140  -0.043209
+    1SOL     H5    5  -0.089141  -0.266487  -0.076933
+    1SOL     H6    6  -0.217015  -0.194791  -0.114705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137840  -0.263109   0.156424
+    0SOL     H2    2  -0.209538  -0.287005   0.215167
+    0SOL     H3    3  -0.093205  -0.191157   0.201068
+    1SOL     O4    4   0.138818   0.254541  -0.158176
+    1SOL     H5    5   0.090530   0.335062  -0.139548
+    1SOL     H6    6   0.190160   0.274890  -0.236357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014940   0.266248  -0.237348
+    0SOL     H2    2   0.054142   0.181000  -0.218419
+    0SOL     H3    3  -0.052864   0.247595  -0.302287
+    1SOL     O4    4  -0.014573  -0.265958   0.243027
+    1SOL     H5    5  -0.059249  -0.232437   0.165292
+    1SOL     H6    6   0.050302  -0.198847   0.264233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021022   0.113183  -0.343798
+    0SOL     H2    2  -0.008123   0.093745  -0.254719
+    0SOL     H3    3   0.078440   0.040115  -0.366744
+    1SOL     O4    4  -0.018543  -0.107530   0.335031
+    1SOL     H5    5  -0.091687  -0.168644   0.343823
+    1SOL     H6    6  -0.018622  -0.058058   0.416976
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079293  -0.174032  -0.331851
+    0SOL     H2    2  -0.064470  -0.144851  -0.421802
+    0SOL     H3    3   0.007661  -0.197894  -0.299725
+    1SOL     O4    4   0.077125   0.168391   0.333013
+    1SOL     H5    5   0.017665   0.224536   0.283268
+    1SOL     H6    6   0.076463   0.205097   0.421413
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061662  -0.209404   0.352719
+    0SOL     H2    2   0.007939  -0.135808   0.323397
+    0SOL     H3    3   0.151337  -0.175992   0.350622
+    1SOL     O4    4  -0.061177   0.197963  -0.347097
+    1SOL     H5    5  -0.144534   0.199717  -0.394117
+    1SOL     H6    6  -0.021768   0.283354  -0.364921
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051672   0.303345  -0.282475
+    0SOL     H2    2   0.112459   0.341214  -0.218968
+    0SOL     H3    3  -0.026471   0.358316  -0.276631
+    1SOL     O4    4  -0.046297  -0.304392   0.275571
+    1SOL     H5    5  -0.035565  -0.398598   0.288705
+    1SOL     H6    6  -0.133442  -0.285113   0.310160
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016287   0.016998  -0.420121
+    0SOL     H2    2   0.019663  -0.078606  -0.423397
+    0SOL     H3    3  -0.073098   0.036915  -0.392264
+    1SOL     O4    4  -0.017499  -0.014875   0.416677
+    1SOL     H5    5   0.001070   0.048496   0.485970
+    1SOL     H6    6   0.068664  -0.039947   0.383366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053216   0.368313   0.215513
+    0SOL     H2    2  -0.078272   0.352911   0.306603
+    0SOL     H3    3   0.041438   0.382199   0.218678
+    1SOL     O4    4   0.043804  -0.365205  -0.217086
+    1SOL     H5    5   0.046664  -0.450354  -0.260720
+    1SOL     H6    6   0.132510  -0.330470  -0.226408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001932  -0.095229   0.083147
+    0SOL     H2    2  -0.097388  -0.099927   0.077823
+    0SOL     H3    3   0.028815  -0.145576   0.007767
+    1SOL     O4    4   0.000337   0.099468  -0.082563
+    1SOL     H5    5   0.084544   0.144713  -0.077620
+    1SOL     H6    6   0.004666   0.033117  -0.013708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099358  -0.077709   0.025317
+    0SOL     H2    2   0.135941  -0.080078   0.113739
+    0SOL     H3    3   0.037264  -0.004882   0.026979
+    1SOL     O4    4  -0.092863   0.077369  -0.026975
+    1SOL     H5    5  -0.161755   0.022508   0.010529
+    1SOL     H6    6  -0.106968   0.072325  -0.121515
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065528   0.086652  -0.080956
+    0SOL     H2    2  -0.000861   0.023485  -0.049483
+    0SOL     H3    3  -0.138414   0.079086  -0.019372
+    1SOL     O4    4   0.068451  -0.080122   0.068383
+    1SOL     H5    5   0.071805  -0.031688   0.150876
+    1SOL     H6    6   0.023317  -0.161654   0.090241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037169  -0.025659  -0.116259
+    0SOL     H2    2  -0.124122  -0.037490  -0.154489
+    0SOL     H3    3   0.009327  -0.106759  -0.136829
+    1SOL     O4    4   0.038049   0.031244   0.126268
+    1SOL     H5    5  -0.010208  -0.014044   0.057112
+    1SOL     H6    6   0.113049   0.070405   0.081504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079161   0.071254   0.087110
+    0SOL     H2    2   0.024598   0.099229   0.160612
+    0SOL     H3    3   0.017799   0.031109   0.025584
+    1SOL     O4    4  -0.065917  -0.068413  -0.086001
+    1SOL     H5    5  -0.135615  -0.011950  -0.119416
+    1SOL     H6    6  -0.105941  -0.155183  -0.080392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055570  -0.117793   0.019363
+    0SOL     H2    2   0.008701  -0.139280   0.086963
+    0SOL     H3    3  -0.045936  -0.187204  -0.045841
+    1SOL     O4    4   0.057182   0.123918  -0.022158
+    1SOL     H5    5   0.002889   0.191529   0.018381
+    1SOL     H6    6   0.006761   0.043221  -0.011762
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033479   0.014491   0.133859
+    0SOL     H2    2   0.010728   0.000174   0.041991
+    0SOL     H3    3  -0.008209  -0.057972   0.180481
+    1SOL     O4    4  -0.026657  -0.013404  -0.127349
+    1SOL     H5    5   0.008661   0.072293  -0.151245
+    1SOL     H6    6  -0.111459  -0.017584  -0.171547
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069349   0.072442   0.082404
+    0SOL     H2    2   0.158458   0.106480   0.090358
+    0SOL     H3    3   0.027976   0.093716   0.166058
+    1SOL     O4    4  -0.075151  -0.080770  -0.085075
+    1SOL     H5    5  -0.065052  -0.049758  -0.175067
+    1SOL     H6    6  -0.028499  -0.016162  -0.032049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056561   0.115839  -0.008099
+    0SOL     H2    2  -0.014433   0.178273  -0.023068
+    0SOL     H3    3   0.133708   0.170420   0.007119
+    1SOL     O4    4  -0.056509  -0.129193   0.009334
+    1SOL     H5    5   0.008466  -0.060071   0.022086
+    1SOL     H6    6  -0.132913  -0.084000  -0.026476
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095549  -0.072966   0.056536
+    0SOL     H2    2   0.142777  -0.038616   0.132378
+    0SOL     H3    3   0.031650  -0.133835   0.093606
+    1SOL     O4    4  -0.096234   0.080101  -0.066586
+    1SOL     H5    5  -0.154917   0.008218  -0.043101
+    1SOL     H6    6  -0.011745   0.055360  -0.029011
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014701   0.016846  -0.138599
+    0SOL     H2    2   0.010358   0.014347  -0.043011
+    0SOL     H3    3  -0.072169  -0.011288  -0.167313
+    1SOL     O4    4  -0.010605  -0.014519   0.128609
+    1SOL     H5    5   0.054146   0.027231   0.185411
+    1SOL     H6    6  -0.061919  -0.069948   0.187404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019408  -0.115638  -0.061292
+    0SOL     H2    2   0.038983  -0.152937  -0.127334
+    0SOL     H3    3  -0.008418  -0.172193   0.015148
+    1SOL     O4    4   0.021749   0.123842   0.061638
+    1SOL     H5    5  -0.063816   0.162013   0.081230
+    1SOL     H6    6   0.002084   0.035341   0.030928
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140977   0.009585  -0.006666
+    0SOL     H2    2   0.155198  -0.051544   0.065606
+    0SOL     H3    3   0.047514   0.002476  -0.026073
+    1SOL     O4    4  -0.133754  -0.010120  -0.000800
+    1SOL     H5    5  -0.170884   0.075536  -0.021934
+    1SOL     H6    6  -0.143813  -0.017891   0.094072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112031  -0.044111   0.075036
+    0SOL     H2    2   0.030351  -0.017254   0.032971
+    0SOL     H3    3   0.176270  -0.045400   0.004085
+    1SOL     O4    4  -0.105601   0.038954  -0.065714
+    1SOL     H5    5  -0.195211   0.008179  -0.079328
+    1SOL     H6    6  -0.106274   0.129407  -0.097020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005800   0.031810   0.138091
+    0SOL     H2    2   0.010379  -0.012190   0.054637
+    0SOL     H3    3  -0.101171   0.037012   0.144385
+    1SOL     O4    4   0.010708  -0.034581  -0.129118
+    1SOL     H5    5   0.082327   0.025182  -0.150597
+    1SOL     H6    6  -0.061367  -0.006998  -0.185746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037934  -0.059878   0.112399
+    0SOL     H2    2   0.097930  -0.134272   0.107077
+    0SOL     H3    3  -0.042438  -0.096459   0.149340
+    1SOL     O4    4  -0.036494   0.063120  -0.120370
+    1SOL     H5    5  -0.021009   0.027449  -0.032905
+    1SOL     H6    6  -0.054053   0.156053  -0.105625
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078633  -0.109514   0.042395
+    0SOL     H2    2  -0.167731  -0.078051   0.057687
+    0SOL     H3    3  -0.030980  -0.032508   0.011385
+    1SOL     O4    4   0.076564   0.097887  -0.038954
+    1SOL     H5    5   0.169059   0.111786  -0.018616
+    1SOL     H6    6   0.054822   0.167697  -0.100729
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057840   0.125175   0.042295
+    0SOL     H2    2   0.028384   0.037420   0.066661
+    0SOL     H3    3   0.030291   0.135302  -0.048814
+    1SOL     O4    4  -0.055927  -0.114283  -0.035605
+    1SOL     H5    5   0.014081  -0.135447  -0.097356
+    1SOL     H6    6  -0.100236  -0.197693  -0.020051
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032882   0.137180  -0.005840
+    0SOL     H2    2  -0.003044   0.049042   0.004326
+    0SOL     H3    3   0.019248   0.178627   0.079358
+    1SOL     O4    4  -0.026556  -0.129314  -0.001575
+    1SOL     H5    5   0.004623  -0.209738   0.039925
+    1SOL     H6    6  -0.121343  -0.140902  -0.008172
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054604   0.101956  -0.084627
+    0SOL     H2    2   0.016026   0.060105  -0.007669
+    0SOL     H3    3   0.006820   0.064664  -0.158710
+    1SOL     O4    4  -0.050453  -0.091140   0.087319
+    1SOL     H5    5  -0.118130  -0.153499   0.060984
+    1SOL     H6    6   0.031856  -0.132958   0.062045
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086109   0.084688   0.056605
+    0SOL     H2    2  -0.036595   0.148815   0.005629
+    0SOL     H3    3  -0.115180   0.132867   0.134039
+    1SOL     O4    4   0.082389  -0.096021  -0.062603
+    1SOL     H5    5   0.168827  -0.055419  -0.069102
+    1SOL     H6    6   0.043158  -0.056607   0.015307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054023  -0.006600   0.132092
+    0SOL     H2    2  -0.011761   0.002320   0.046671
+    0SOL     H3    3  -0.122933  -0.071547   0.118109
+    1SOL     O4    4   0.049851   0.009207  -0.122627
+    1SOL     H5    5   0.097278   0.090512  -0.140021
+    1SOL     H6    6   0.102869  -0.058846  -0.164103
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119755   0.072522  -0.026710
+    0SOL     H2    2   0.025128   0.059702  -0.020097
+    0SOL     H3    3   0.152203   0.058050   0.062172
+    1SOL     O4    4  -0.114879  -0.065099   0.017451
+    1SOL     H5    5  -0.145415  -0.149764  -0.015132
+    1SOL     H6    6  -0.109369  -0.076468   0.112333
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017938   0.040553  -0.136425
+    0SOL     H2    2   0.035551   0.034005  -0.042568
+    0SOL     H3    3   0.002245  -0.049678  -0.164251
+    1SOL     O4    4  -0.013290  -0.031614   0.129871
+    1SOL     H5    5  -0.093008   0.003845   0.169241
+    1SOL     H6    6  -0.020818  -0.126317   0.141575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000519  -0.089151  -0.110805
+    0SOL     H2    2   0.090323  -0.094025  -0.140573
+    0SOL     H3    3   0.002525  -0.032650  -0.033599
+    1SOL     O4    4  -0.008760   0.088596   0.104076
+    1SOL     H5    5  -0.024743   0.028225   0.176617
+    1SOL     H6    6   0.084455   0.109442   0.110295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012319  -0.063390  -0.122061
+    0SOL     H2    2   0.015655   0.016860  -0.174130
+    0SOL     H3    3  -0.079863  -0.089132  -0.123525
+    1SOL     O4    4  -0.005568   0.059993   0.132306
+    1SOL     H5    5   0.004032  -0.005580   0.063238
+    1SOL     H6    6  -0.043921   0.135820   0.088244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018096  -0.130135   0.019831
+    0SOL     H2    2  -0.044309  -0.167792   0.081878
+    0SOL     H3    3   0.096686  -0.183973   0.029177
+    1SOL     O4    4  -0.024698   0.140022  -0.023837
+    1SOL     H5    5   0.066188   0.164467  -0.041285
+    1SOL     H6    6  -0.022002   0.045209  -0.010972
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081039  -0.092022  -0.050575
+    0SOL     H2    2   0.047262  -0.168703  -0.096852
+    0SOL     H3    3   0.175966  -0.097127  -0.061764
+    1SOL     O4    4  -0.087436   0.097398   0.060154
+    1SOL     H5    5  -0.088212   0.160551  -0.011773
+    1SOL     H6    6  -0.036425   0.023610   0.026754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108455  -0.002995   0.092202
+    0SOL     H2    2  -0.116089   0.080446   0.138480
+    0SOL     H3    3  -0.064926   0.019119   0.009871
+    1SOL     O4    4   0.102845   0.000859  -0.093784
+    1SOL     H5    5   0.157679   0.022069  -0.018248
+    1SOL     H6    6   0.108453  -0.094383  -0.101523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020716  -0.053219  -0.132581
+    0SOL     H2    2  -0.011766  -0.019508  -0.049089
+    0SOL     H3    3   0.085659  -0.119175  -0.108198
+    1SOL     O4    4  -0.025522   0.053552   0.120941
+    1SOL     H5    5   0.037461   0.122814   0.140897
+    1SOL     H6    6  -0.032413   0.003268   0.202098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070352   0.086877   0.089051
+    0SOL     H2    2  -0.089951   0.040943   0.170710
+    0SOL     H3    3  -0.035835   0.019018   0.031033
+    1SOL     O4    4   0.063506  -0.082379  -0.090541
+    1SOL     H5    5   0.134241  -0.110526  -0.032518
+    1SOL     H6    6   0.103679  -0.016447  -0.147121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031293  -0.006782   0.131684
+    0SOL     H2    2   0.020446  -0.087312   0.132214
+    0SOL     H3    3  -0.010825   0.035442   0.215114
+    1SOL     O4    4   0.029509   0.003650  -0.140298
+    1SOL     H5    5   0.010851   0.093438  -0.167729
+    1SOL     H6    6   0.005710   0.001437  -0.047611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024159  -0.122893   0.071473
+    0SOL     H2    2   0.005499  -0.038640   0.037060
+    0SOL     H3    3  -0.103668  -0.102122   0.120556
+    1SOL     O4    4   0.027947   0.109627  -0.071287
+    1SOL     H5    5  -0.052118   0.160930  -0.060333
+    1SOL     H6    6   0.093906   0.173542  -0.098241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064578   0.120980   0.008091
+    0SOL     H2    2  -0.150125   0.081732  -0.009332
+    0SOL     H3    3  -0.070358   0.151988   0.098465
+    1SOL     O4    4   0.076329  -0.121035  -0.012187
+    1SOL     H5    5   0.011508  -0.189397  -0.029137
+    1SOL     H6    6   0.024535  -0.041702   0.001450
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014144   0.087376  -0.109733
+    0SOL     H2    2  -0.044381   0.054144  -0.041668
+    0SOL     H3    3  -0.044069   0.129507  -0.172967
+    1SOL     O4    4  -0.007541  -0.083083   0.104402
+    1SOL     H5    5  -0.064079  -0.084060   0.181634
+    1SOL     H6    6   0.044489  -0.163092   0.111735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016182   0.138833  -0.031826
+    0SOL     H2    2  -0.005160   0.053738   0.006459
+    0SOL     H3    3   0.010126   0.200262   0.041333
+    1SOL     O4    4  -0.008738  -0.133489   0.025217
+    1SOL     H5    5  -0.061513  -0.163077  -0.048956
+    1SOL     H6    6  -0.051577  -0.171592   0.101867
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003478   0.037313   0.141627
+    0SOL     H2    2   0.014630   0.025886   0.048333
+    0SOL     H3    3  -0.064920  -0.032925   0.162927
+    1SOL     O4    4   0.005443  -0.038363  -0.133397
+    1SOL     H5    5   0.077477  -0.010965  -0.190167
+    1SOL     H6    6  -0.056478   0.034573  -0.136304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092399  -0.111838  -0.015230
+    0SOL     H2    2  -0.033170  -0.036652  -0.016361
+    0SOL     H3    3  -0.042200  -0.181294   0.027411
+    1SOL     O4    4   0.081042   0.109185   0.008445
+    1SOL     H5    5   0.075051   0.128200   0.102066
+    1SOL     H6    6   0.171999   0.128575  -0.014209
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041135  -0.126539  -0.035790
+    0SOL     H2    2   0.136577  -0.129938  -0.029346
+    0SOL     H3    3   0.010814  -0.199388   0.018395
+    1SOL     O4    4  -0.043473   0.136808   0.031998
+    1SOL     H5    5   0.006128   0.064173  -0.005768
+    1SOL     H6    6  -0.116560   0.094901   0.077434
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093977  -0.082955   0.072590
+    0SOL     H2    2  -0.170828  -0.034389   0.102551
+    0SOL     H3    3  -0.035128  -0.015825   0.038053
+    1SOL     O4    4   0.090487   0.072070  -0.073251
+    1SOL     H5    5   0.167531   0.064921  -0.016900
+    1SOL     H6    6   0.099132   0.157790  -0.114961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036996   0.092574  -0.098349
+    0SOL     H2    2   0.065958   0.166149  -0.044402
+    0SOL     H3    3  -0.049973   0.118132  -0.129098
+    1SOL     O4    4  -0.035537  -0.105648   0.097667
+    1SOL     H5    5  -0.004725  -0.043781   0.163888
+    1SOL     H6    6  -0.041071  -0.053979   0.017280
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109661  -0.061098   0.053964
+    0SOL     H2    2   0.142952  -0.150109   0.042515
+    0SOL     H3    3   0.187935  -0.006003   0.053864
+    1SOL     O4    4  -0.122165   0.059732  -0.054091
+    1SOL     H5    5  -0.103315   0.152856  -0.065707
+    1SOL     H6    6  -0.038007   0.021040  -0.029951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108784   0.082089   0.020729
+    0SOL     H2    2  -0.201147   0.090348   0.044461
+    0SOL     H3    3  -0.100363   0.131840  -0.060611
+    1SOL     O4    4   0.116734  -0.089188  -0.013281
+    1SOL     H5    5   0.139426  -0.068802  -0.104010
+    1SOL     H6    6   0.035396  -0.041245   0.002466
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013604  -0.067667  -0.129547
+    0SOL     H2    2   0.000905  -0.022835  -0.046229
+    0SOL     H3    3   0.061447  -0.042865  -0.183533
+    1SOL     O4    4   0.009632   0.066504   0.122079
+    1SOL     H5    5   0.049973   0.081279   0.207616
+    1SOL     H6    6  -0.056522  -0.000809   0.138051
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052689   0.021015  -0.133991
+    0SOL     H2    2  -0.019494  -0.020093  -0.054175
+    0SOL     H3    3  -0.065639  -0.051723  -0.194849
+    1SOL     O4    4   0.054806  -0.016276   0.127662
+    1SOL     H5    5   0.076875   0.059585   0.181702
+    1SOL     H6    6  -0.023103  -0.053393   0.169074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085674  -0.101375  -0.039022
+    0SOL     H2    2   0.050340  -0.188355  -0.057686
+    0SOL     H3    3   0.160018  -0.117625   0.019040
+    1SOL     O4    4  -0.087711   0.114254   0.035684
+    1SOL     H5    5  -0.024934   0.046544   0.010452
+    1SOL     H6    6  -0.158334   0.066488   0.079195
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052595   0.096028   0.085334
+    0SOL     H2    2   0.086328   0.163418   0.026316
+    0SOL     H3    3   0.034401   0.142554   0.166983
+    1SOL     O4    4  -0.059115  -0.104459  -0.089944
+    1SOL     H5    5   0.025380  -0.149002  -0.083712
+    1SOL     H6    6  -0.048441  -0.025266  -0.037247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124888  -0.037485   0.049433
+    0SOL     H2    2  -0.124090  -0.033218   0.145054
+    0SOL     H3    3  -0.203875   0.010197   0.023940
+    1SOL     O4    4   0.135271   0.032239  -0.050723
+    1SOL     H5    5   0.045175   0.019116  -0.021179
+    1SOL     H6    6   0.126995   0.084436  -0.130530
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110569  -0.100520   0.000575
+    0SOL     H2    2   0.047798  -0.028358   0.004415
+    0SOL     H3    3   0.057363  -0.179249   0.012114
+    1SOL     O4    4  -0.098314   0.100182   0.001980
+    1SOL     H5    5  -0.109604   0.138027  -0.085213
+    1SOL     H6    6  -0.185963   0.070945   0.026985
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053544   0.117457   0.074688
+    0SOL     H2    2   0.148281   0.104427   0.078866
+    0SOL     H3    3   0.019019   0.033235   0.045074
+    1SOL     O4    4  -0.051492  -0.108610  -0.070959
+    1SOL     H5    5  -0.099450  -0.180090  -0.029091
+    1SOL     H6    6  -0.100479  -0.090606  -0.151199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030459   0.136088  -0.054969
+    0SOL     H2    2   0.008530   0.045040  -0.035178
+    0SOL     H3    3   0.081571   0.165405   0.020465
+    1SOL     O4    4  -0.027326  -0.128973   0.046668
+    1SOL     H5    5  -0.097208  -0.100487   0.105552
+    1SOL     H6    6  -0.039997  -0.223484   0.038339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037460   0.053472   0.133587
+    0SOL     H2    2   0.008780   0.019663   0.048754
+    0SOL     H3    3   0.071310  -0.023223   0.179787
+    1SOL     O4    4  -0.031014  -0.047116  -0.130170
+    1SOL     H5    5  -0.092961   0.022183  -0.153027
+    1SOL     H6    6  -0.082806  -0.127557  -0.133189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139221   0.044837   0.022124
+    0SOL     H2    2   0.152221   0.123809   0.074630
+    0SOL     H3    3   0.045137   0.027933   0.027093
+    1SOL     O4    4  -0.130013  -0.044795  -0.029770
+    1SOL     H5    5  -0.125818  -0.138033  -0.008521
+    1SOL     H6    6  -0.206579  -0.012738   0.017899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077199   0.112237   0.036175
+    0SOL     H2    2  -0.091952   0.131705   0.128726
+    0SOL     H3    3  -0.163247   0.122412  -0.004502
+    1SOL     O4    4   0.088613  -0.113005  -0.043590
+    1SOL     H5    5   0.065757  -0.193559   0.002789
+    1SOL     H6    6   0.021602  -0.050092  -0.016874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050008   0.129187   0.027439
+    0SOL     H2    2  -0.053796   0.197679   0.094199
+    0SOL     H3    3  -0.045188   0.176747  -0.055490
+    1SOL     O4    4   0.051464  -0.140081  -0.021637
+    1SOL     H5    5   0.076518  -0.144003  -0.113936
+    1SOL     H6    6  -0.000282  -0.059898  -0.014202
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011861  -0.129938   0.056268
+    0SOL     H2    2   0.005708  -0.123449   0.150138
+    0SOL     H3    3  -0.086995  -0.188905   0.049935
+    1SOL     O4    4   0.018070   0.138340  -0.056643
+    1SOL     H5    5   0.000518   0.046708  -0.035250
+    1SOL     H6    6  -0.006502   0.146604  -0.148786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116057   0.097334  -0.022987
+    0SOL     H2    2   0.035724   0.054381   0.006407
+    0SOL     H3    3   0.174904   0.025298  -0.045576
+    1SOL     O4    4  -0.110925  -0.086610   0.027238
+    1SOL     H5    5  -0.199120  -0.070218  -0.006159
+    1SOL     H6    6  -0.084600  -0.168931  -0.013901
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.129604  -0.038821   0.046750
+    0SOL     H2    2   0.161767  -0.127052   0.028225
+    0SOL     H3    3   0.205668   0.007605   0.081697
+    1SOL     O4    4  -0.140549   0.040758  -0.053490
+    1SOL     H5    5  -0.148569   0.090575   0.027850
+    1SOL     H6    6  -0.056698  -0.004730  -0.045604
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112182  -0.099875   0.036706
+    0SOL     H2    2   0.036628  -0.045192   0.015175
+    0SOL     H3    3   0.185932  -0.057131  -0.006839
+    1SOL     O4    4  -0.112942   0.096026  -0.026584
+    1SOL     H5    5  -0.148789   0.021566  -0.074885
+    1SOL     H6    6  -0.062338   0.144711  -0.091633
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042079  -0.147562  -0.034209
+    0SOL     H2    2  -0.047191  -0.118849  -0.015006
+    0SOL     H3    3   0.096899  -0.072568  -0.011121
+    1SOL     O4    4  -0.034803   0.139671   0.027497
+    1SOL     H5    5  -0.031993   0.169778   0.118315
+    1SOL     H6    6  -0.128011   0.137424   0.005831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095777   0.091339  -0.075478
+    0SOL     H2    2  -0.165771   0.148275  -0.043519
+    0SOL     H3    3  -0.054615   0.057066   0.003853
+    1SOL     O4    4   0.097735  -0.093307   0.061750
+    1SOL     H5    5   0.055376  -0.154246   0.122202
+    1SOL     H6    6   0.134784  -0.025418   0.118148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064023   0.097393   0.100832
+    0SOL     H2    2   0.042174   0.045464   0.023448
+    0SOL     H3    3   0.140379   0.148757   0.074490
+    1SOL     O4    4  -0.068727  -0.094716  -0.088158
+    1SOL     H5    5   0.002681  -0.151654  -0.116814
+    1SOL     H6    6  -0.123339  -0.083690  -0.165994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068460   0.109445   0.088755
+    0SOL     H2    2   0.046998   0.044682   0.021618
+    0SOL     H3    3   0.027839   0.075641   0.168565
+    1SOL     O4    4  -0.067422  -0.102127  -0.083211
+    1SOL     H5    5  -0.036587  -0.047814  -0.155748
+    1SOL     H6    6  -0.060064  -0.191891  -0.115627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015688   0.101960  -0.116649
+    0SOL     H2    2   0.015260   0.035947  -0.054625
+    0SOL     H3    3   0.053412   0.168191  -0.117672
+    1SOL     O4    4   0.015426  -0.099040   0.110080
+    1SOL     H5    5  -0.056002  -0.050457   0.151312
+    1SOL     H6    6  -0.008371  -0.191043   0.121547
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125191  -0.012549  -0.084169
+    0SOL     H2    2   0.123361  -0.105492  -0.106988
+    0SOL     H3    3   0.106831   0.032736  -0.166475
+    1SOL     O4    4  -0.127995   0.009406   0.089004
+    1SOL     H5    5  -0.041569   0.029445   0.053071
+    1SOL     H6    6  -0.148526   0.084113   0.145215
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055439  -0.137598   0.055829
+    0SOL     H2    2  -0.011206  -0.207606   0.007822
+    0SOL     H3    3  -0.033685  -0.057894   0.007493
+    1SOL     O4    4   0.055329   0.134414  -0.045448
+    1SOL     H5    5   0.057928   0.127838  -0.140906
+    1SOL     H6    6  -0.021618   0.188343  -0.027194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037679   0.102726   0.113837
+    0SOL     H2    2  -0.016287   0.057448   0.032261
+    0SOL     H3    3  -0.050275   0.194032   0.088014
+    1SOL     O4    4   0.034197  -0.098847  -0.107567
+    1SOL     H5    5  -0.008431  -0.182981  -0.091238
+    1SOL     H6    6   0.125519  -0.121281  -0.125438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093713  -0.111363  -0.041368
+    0SOL     H2    2  -0.058038  -0.118392  -0.129913
+    0SOL     H3    3  -0.188348  -0.119986  -0.052869
+    1SOL     O4    4   0.098744   0.116944   0.042610
+    1SOL     H5    5   0.133306   0.107969   0.131420
+    1SOL     H6    6   0.036261   0.044969   0.033786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055146  -0.061102  -0.138613
+    0SOL     H2    2  -0.052842   0.000715  -0.065567
+    0SOL     H3    3  -0.126152  -0.029555  -0.194518
+    1SOL     O4    4   0.058990   0.051392   0.132367
+    1SOL     H5    5   0.036337   0.035580   0.224014
+    1SOL     H6    6   0.076602   0.145370   0.127869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075340   0.021939   0.138426
+    0SOL     H2    2   0.003983   0.071770   0.118748
+    0SOL     H3    3  -0.120428   0.073895   0.204984
+    1SOL     O4    4   0.074495  -0.024485  -0.147224
+    1SOL     H5    5   0.092277   0.011708  -0.060413
+    1SOL     H6    6   0.040867  -0.112456  -0.130121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073266  -0.066330  -0.133400
+    0SOL     H2    2  -0.063702   0.007315  -0.193793
+    0SOL     H3    3   0.011800  -0.072996  -0.090021
+    1SOL     O4    4   0.067680   0.059959   0.127858
+    1SOL     H5    5   0.132551   0.037956   0.194717
+    1SOL     H6    6   0.008280   0.121182   0.171283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036993   0.023612   0.162054
+    0SOL     H2    2   0.012130   0.035487   0.070385
+    0SOL     H3    3   0.100055   0.093582   0.179074
+    1SOL     O4    4  -0.041374  -0.029907  -0.151368
+    1SOL     H5    5   0.022038   0.036879  -0.177462
+    1SOL     H6    6  -0.069240  -0.070010  -0.233694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079785   0.150712  -0.012647
+    0SOL     H2    2   0.145828   0.084489   0.007730
+    0SOL     H3    3  -0.002604   0.102119  -0.016272
+    1SOL     O4    4  -0.075201  -0.140857   0.006493
+    1SOL     H5    5  -0.143708  -0.205837  -0.009214
+    1SOL     H6    6  -0.071350  -0.132598   0.101778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034106  -0.096217  -0.130073
+    0SOL     H2    2   0.002614  -0.064955  -0.212757
+    0SOL     H3    3  -0.110447  -0.040445  -0.115107
+    1SOL     O4    4   0.035031   0.091262   0.140623
+    1SOL     H5    5   0.113191   0.057450   0.096918
+    1SOL     H6    6  -0.019903   0.124174   0.069480
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025958  -0.011108   0.169753
+    0SOL     H2    2  -0.088291  -0.083296   0.177867
+    0SOL     H3    3   0.040790  -0.029493   0.235852
+    1SOL     O4    4   0.028027   0.022771  -0.173107
+    1SOL     H5    5  -0.018706  -0.020677  -0.244456
+    1SOL     H6    6   0.040263  -0.045630  -0.107274
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046864  -0.111243   0.135504
+    0SOL     H2    2   0.132943  -0.084049   0.103671
+    0SOL     H3    3   0.010482  -0.032706   0.176377
+    1SOL     O4    4  -0.055126   0.103306  -0.133288
+    1SOL     H5    5   0.028177   0.121376  -0.089739
+    1SOL     H6    6  -0.036821   0.116112  -0.226364
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110555  -0.131956   0.044738
+    0SOL     H2    2   0.053528  -0.160493   0.116124
+    0SOL     H3    3   0.199260  -0.143582   0.078774
+    1SOL     O4    4  -0.108604   0.139226  -0.047756
+    1SOL     H5    5  -0.091870   0.045600  -0.036962
+    1SOL     H6    6  -0.187222   0.143434  -0.102196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099094  -0.101290   0.129937
+    0SOL     H2    2   0.086252  -0.092348   0.035505
+    0SOL     H3    3   0.030835  -0.046535   0.168731
+    1SOL     O4    4  -0.093991   0.104336  -0.125784
+    1SOL     H5    5  -0.173393   0.050905  -0.124086
+    1SOL     H6    6  -0.023513   0.042031  -0.143480
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107707   0.137741  -0.094703
+    0SOL     H2    2  -0.120933   0.199456  -0.022740
+    0SOL     H3    3  -0.120634   0.051564  -0.055096
+    1SOL     O4    4   0.102600  -0.135919   0.087227
+    1SOL     H5    5   0.171424  -0.076023   0.058277
+    1SOL     H6    6   0.148997  -0.204097   0.135820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080892  -0.147346  -0.117073
+    0SOL     H2    2  -0.085430  -0.072699  -0.176818
+    0SOL     H3    3  -0.148044  -0.207678  -0.148903
+    1SOL     O4    4   0.089327   0.142930   0.118725
+    1SOL     H5    5   0.099797   0.233968   0.146379
+    1SOL     H6    6   0.009396   0.113603   0.162467
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003877  -0.147775   0.157427
+    0SOL     H2    2   0.098666  -0.149784   0.170592
+    0SOL     H3    3  -0.015942  -0.055827   0.139673
+    1SOL     O4    4  -0.006069   0.143280  -0.150697
+    1SOL     H5    5   0.012544   0.187791  -0.233368
+    1SOL     H6    6  -0.065906   0.072464  -0.174510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043546  -0.115714   0.174287
+    0SOL     H2    2   0.008618  -0.113212   0.263372
+    0SOL     H3    3   0.053224  -0.208953   0.154914
+    1SOL     O4    4  -0.043384   0.124940  -0.173205
+    1SOL     H5    5   0.028924   0.062681  -0.180799
+    1SOL     H6    6  -0.091710   0.115726  -0.255314
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002932  -0.191317  -0.139352
+    0SOL     H2    2  -0.091559  -0.198637  -0.125924
+    0SOL     H3    3   0.039050  -0.270451  -0.099409
+    1SOL     O4    4  -0.001257   0.192363   0.141158
+    1SOL     H5    5   0.005402   0.170019   0.048321
+    1SOL     H6    6   0.016878   0.286287   0.144597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063036  -0.234743   0.041966
+    0SOL     H2    2   0.067409  -0.197136  -0.045949
+    0SOL     H3    3  -0.013987  -0.194074   0.081661
+    1SOL     O4    4  -0.062850   0.225029  -0.040504
+    1SOL     H5    5   0.031939   0.217867  -0.029276
+    1SOL     H6    6  -0.081165   0.318485  -0.030868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033977  -0.140916   0.201651
+    0SOL     H2    2   0.013572  -0.067148   0.259133
+    0SOL     H3    3   0.129616  -0.142995   0.198307
+    1SOL     O4    4  -0.035300   0.133028  -0.200027
+    1SOL     H5    5  -0.067292   0.222268  -0.186800
+    1SOL     H6    6  -0.051411   0.115246  -0.292691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061570   0.289384  -0.133067
+    0SOL     H2    2  -0.001536   0.220565  -0.104391
+    0SOL     H3    3  -0.119324   0.246164  -0.195986
+    1SOL     O4    4   0.063745  -0.277549   0.132881
+    1SOL     H5    5   0.112259  -0.349518   0.173244
+    1SOL     H6    6  -0.025861  -0.310326   0.125227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023558   0.275176   0.173210
+    0SOL     H2    2   0.090574   0.332644   0.210203
+    0SOL     H3    3  -0.024270   0.330646   0.111583
+    1SOL     O4    4  -0.027318  -0.286850  -0.175449
+    1SOL     H5    5  -0.071377  -0.244047  -0.102039
+    1SOL     H6    6   0.059550  -0.246728  -0.177998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042491  -0.338931  -0.016110
+    0SOL     H2    2   0.009245  -0.302556  -0.098170
+    0SOL     H3    3  -0.033173  -0.338976   0.042518
+    1SOL     O4    4  -0.039153   0.343194   0.018254
+    1SOL     H5    5  -0.053492   0.283602  -0.055268
+    1SOL     H6    6   0.018923   0.295062   0.077185
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097152  -0.267690   0.303653
+    0SOL     H2    2   0.019565  -0.323722   0.305391
+    0SOL     H3    3   0.161064  -0.313497   0.358235
+    1SOL     O4    4  -0.091374   0.278293  -0.305709
+    1SOL     H5    5  -0.080056   0.192088  -0.345745
+    1SOL     H6    6  -0.184379   0.282390  -0.283447
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.142334  -0.422236   0.094213
+    0SOL     H2    2   0.201713  -0.363351   0.140786
+    0SOL     H3    3   0.136912  -0.385879   0.005833
+    1SOL     O4    4  -0.144375   0.417659  -0.098039
+    1SOL     H5    5  -0.184899   0.476142  -0.034009
+    1SOL     H6    6  -0.124489   0.338103  -0.048666
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099907  -0.069679   0.022094
+    0SOL     H2    2  -0.079229  -0.114531   0.104089
+    0SOL     H3    3  -0.141293  -0.136781  -0.032190
+    1SOL     O4    4   0.106413   0.079666  -0.019975
+    1SOL     H5    5   0.109659   0.044953  -0.109120
+    1SOL     H6    6   0.018773   0.057266   0.011326
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111237   0.026075   0.049460
+    0SOL     H2    2  -0.119143  -0.050032   0.106970
+    0SOL     H3    3  -0.141164   0.099690   0.102823
+    1SOL     O4    4   0.119179  -0.027636  -0.052627
+    1SOL     H5    5   0.028243  -0.019347  -0.023918
+    1SOL     H6    6   0.116564  -0.008651  -0.146409
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021092  -0.030998   0.126411
+    0SOL     H2    2   0.094644  -0.086754   0.151783
+    0SOL     H3    3   0.037403  -0.010139   0.034426
+    1SOL     O4    4  -0.019023   0.033172  -0.123899
+    1SOL     H5    5  -0.080604   0.102444  -0.099993
+    1SOL     H6    6  -0.072944  -0.045638  -0.130519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114396   0.012494  -0.045590
+    0SOL     H2    2  -0.141355   0.059583  -0.124445
+    0SOL     H3    3  -0.196547  -0.012246  -0.003147
+    1SOL     O4    4   0.125996  -0.016228   0.044204
+    1SOL     H5    5   0.037557  -0.005962   0.009055
+    1SOL     H6    6   0.120006   0.016140   0.134086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125566   0.015848  -0.053807
+    0SOL     H2    2   0.169192   0.028627   0.030430
+    0SOL     H3    3   0.032269   0.014033  -0.032483
+    1SOL     O4    4  -0.116695  -0.018462   0.043891
+    1SOL     H5    5  -0.207511  -0.035483   0.018891
+    1SOL     H6    6  -0.123166   0.031318   0.125392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006986  -0.026261   0.126031
+    0SOL     H2    2  -0.049686  -0.088261   0.171929
+    0SOL     H3    3  -0.022509   0.059795   0.155809
+    1SOL     O4    4  -0.008040   0.023688  -0.134527
+    1SOL     H5    5   0.071660   0.071544  -0.157333
+    1SOL     H6    6   0.004195  -0.001003  -0.042859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.134822   0.019286   0.020624
+    0SOL     H2    2   0.178998  -0.052539  -0.024675
+    0SOL     H3    3   0.041687   0.004115   0.004562
+    1SOL     O4    4  -0.125348  -0.015286  -0.013961
+    1SOL     H5    5  -0.208444  -0.056628   0.009454
+    1SOL     H6    6  -0.148062   0.046656  -0.083312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069192   0.091568   0.077053
+    0SOL     H2    2   0.029039   0.032077   0.013721
+    0SOL     H3    3   0.086976   0.036788   0.153507
+    1SOL     O4    4  -0.062781  -0.081816  -0.075365
+    1SOL     H5    5  -0.155024  -0.056487  -0.078828
+    1SOL     H6    6  -0.060627  -0.169805  -0.112989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039580  -0.029575  -0.129767
+    0SOL     H2    2  -0.007916   0.000925  -0.044741
+    0SOL     H3    3  -0.046677  -0.124539  -0.120077
+    1SOL     O4    4   0.033820   0.030667   0.120876
+    1SOL     H5    5   0.049015   0.121180   0.148057
+    1SOL     H6    6   0.104012  -0.019092   0.162822
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095028   0.044972  -0.088830
+    0SOL     H2    2  -0.018293   0.011499  -0.042421
+    0SOL     H3    3  -0.058939   0.100409  -0.158015
+    1SOL     O4    4   0.083044  -0.048886   0.086298
+    1SOL     H5    5   0.171820  -0.031018   0.055283
+    1SOL     H6    6   0.084824  -0.025301   0.179049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055262  -0.081684  -0.086129
+    0SOL     H2    2   0.142970  -0.116472  -0.102234
+    0SOL     H3    3   0.004930  -0.156937  -0.055048
+    1SOL     O4    4  -0.055211   0.088694   0.091754
+    1SOL     H5    5  -0.135506   0.124639   0.054030
+    1SOL     H6    6  -0.013500   0.041986   0.019360
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033551  -0.071771  -0.106836
+    0SOL     H2    2   0.000731  -0.156057  -0.077124
+    0SOL     H3    3   0.026271  -0.044743  -0.176501
+    1SOL     O4    4   0.031511   0.072855   0.114300
+    1SOL     H5    5   0.016776   0.029186   0.030406
+    1SOL     H6    6  -0.016332   0.155447   0.107095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096053  -0.084040   0.014554
+    0SOL     H2    2  -0.129005  -0.146773  -0.049797
+    0SOL     H3    3  -0.142840  -0.105599   0.095229
+    1SOL     O4    4   0.099543   0.095622  -0.013451
+    1SOL     H5    5   0.047259   0.016307  -0.001705
+    1SOL     H6    6   0.175439   0.067026  -0.064286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105753  -0.081657  -0.036980
+    0SOL     H2    2   0.030715  -0.038619   0.004001
+    0SOL     H3    3   0.109620  -0.167820   0.004534
+    1SOL     O4    4  -0.096977   0.088714   0.031056
+    1SOL     H5    5  -0.169772   0.062524  -0.025312
+    1SOL     H6    6  -0.106061   0.033906   0.109004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101833   0.041145   0.073587
+    0SOL     H2    2   0.179419   0.050353   0.018288
+    0SOL     H3    3   0.128345  -0.020206   0.142110
+    1SOL     O4    4  -0.108137  -0.044803  -0.076152
+    1SOL     H5    5  -0.041306  -0.001633  -0.022933
+    1SOL     H6    6  -0.171386   0.024270  -0.095920
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043645  -0.007238  -0.132767
+    0SOL     H2    2  -0.039529   0.076550  -0.178865
+    0SOL     H3    3  -0.026335   0.014845  -0.041251
+    1SOL     O4    4   0.043315  -0.001400   0.123880
+    1SOL     H5    5  -0.024191  -0.020955   0.188864
+    1SOL     H6    6   0.096647   0.066927   0.164493
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019858  -0.038955  -0.123455
+    0SOL     H2    2   0.018363  -0.134127  -0.113332
+    0SOL     H3    3   0.068919  -0.024190  -0.204309
+    1SOL     O4    4  -0.023162   0.037436   0.131640
+    1SOL     H5    5  -0.025654   0.127999   0.162535
+    1SOL     H6    6  -0.013710   0.044730   0.036667
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054844  -0.116404   0.024760
+    0SOL     H2    2   0.143004  -0.122479   0.061547
+    0SOL     H3    3   0.049209  -0.189892  -0.036315
+    1SOL     O4    4  -0.056740   0.125004  -0.027981
+    1SOL     H5    5  -0.032062   0.038016   0.003428
+    1SOL     H6    6  -0.135136   0.147295   0.022214
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051694  -0.054155   0.120662
+    0SOL     H2    2  -0.083806  -0.138761   0.089468
+    0SOL     H3    3  -0.038070  -0.002815   0.041032
+    1SOL     O4    4   0.051376   0.053099  -0.107257
+    1SOL     H5    5   0.023301   0.025855  -0.194618
+    1SOL     H6    6   0.104199   0.131478  -0.122381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.138047   0.029489  -0.028338
+    0SOL     H2    2  -0.056893  -0.020152  -0.017744
+    0SOL     H3    3  -0.115025   0.118838  -0.002861
+    1SOL     O4    4   0.129236  -0.026448   0.022251
+    1SOL     H5    5   0.173789  -0.016673   0.106404
+    1SOL     H6    6   0.128655  -0.120815   0.006222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018516   0.018647  -0.130847
+    0SOL     H2    2  -0.015444  -0.055596  -0.191187
+    0SOL     H3    3   0.049744   0.077943  -0.162260
+    1SOL     O4    4   0.011984  -0.013234   0.140601
+    1SOL     H5    5   0.077060  -0.080814   0.159583
+    1SOL     H6    6  -0.009375  -0.025780   0.048142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120772   0.025214  -0.066284
+    0SOL     H2    2   0.203663  -0.013071  -0.037551
+    0SOL     H3    3   0.055450  -0.011524  -0.006739
+    1SOL     O4    4  -0.124105  -0.018671   0.055395
+    1SOL     H5    5  -0.104471  -0.109480   0.078430
+    1SOL     H6    6  -0.104600   0.031001   0.134859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112852   0.022692  -0.084090
+    0SOL     H2    2   0.040036  -0.006403  -0.029195
+    0SOL     H3    3   0.175024   0.061827  -0.022727
+    1SOL     O4    4  -0.105391  -0.025238   0.079007
+    1SOL     H5    5  -0.138181   0.063538   0.064654
+    1SOL     H6    6  -0.181161  -0.081618   0.063437
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031328  -0.081910   0.112255
+    0SOL     H2    2  -0.019985  -0.025291   0.035914
+    0SOL     H3    3  -0.010609  -0.025835   0.187012
+    1SOL     O4    4   0.024460   0.078966  -0.108552
+    1SOL     H5    5   0.018652   0.054466  -0.200901
+    1SOL     H6    6   0.107723   0.042045  -0.079118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071514  -0.041651  -0.105261
+    0SOL     H2    2   0.060672  -0.136522  -0.111912
+    0SOL     H3    3   0.158028  -0.024710  -0.142552
+    1SOL     O4    4  -0.078680   0.040646   0.110524
+    1SOL     H5    5  -0.086144   0.130851   0.141662
+    1SOL     H6    6  -0.024654   0.046842   0.031752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042089   0.123107   0.027611
+    0SOL     H2    2   0.125261   0.128841   0.074641
+    0SOL     H3    3   0.019345   0.213974   0.007908
+    1SOL     O4    4  -0.044594  -0.130027  -0.035705
+    1SOL     H5    5  -0.071299  -0.193261   0.031008
+    1SOL     H6    6  -0.043247  -0.045974   0.010071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093567  -0.068271   0.073690
+    0SOL     H2    2  -0.184046  -0.037153   0.076444
+    0SOL     H3    3  -0.095288  -0.141661   0.012264
+    1SOL     O4    4   0.104635   0.072409  -0.067606
+    1SOL     H5    5   0.081249   0.067949  -0.160318
+    1SOL     H6    6   0.024654   0.047223  -0.021443
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022013   0.035696   0.137702
+    0SOL     H2    2  -0.012509  -0.009928   0.060962
+    0SOL     H3    3   0.023372  -0.030789   0.206552
+    1SOL     O4    4  -0.013526  -0.029205  -0.136853
+    1SOL     H5    5  -0.068432   0.049051  -0.141733
+    1SOL     H6    6  -0.075582  -0.102084  -0.136616
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042305  -0.088749   0.097145
+    0SOL     H2    2  -0.033360  -0.045060   0.181842
+    0SOL     H3    3   0.018186  -0.162785   0.101824
+    1SOL     O4    4   0.041168   0.087677  -0.107433
+    1SOL     H5    5   0.025152   0.180702  -0.091555
+    1SOL     H6    6   0.008423   0.043931  -0.028843
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098887  -0.063421   0.075040
+    0SOL     H2    2  -0.159020  -0.095553   0.007855
+    0SOL     H3    3  -0.146182   0.008288   0.117269
+    1SOL     O4    4   0.106981   0.067896  -0.072271
+    1SOL     H5    5   0.048702   0.012810  -0.020009
+    1SOL     H6    6   0.129628   0.013838  -0.147950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059889   0.027342  -0.123260
+    0SOL     H2    2  -0.083005   0.119782  -0.132361
+    0SOL     H3    3  -0.141612  -0.015426  -0.097677
+    1SOL     O4    4   0.073181  -0.030733   0.124377
+    1SOL     H5    5   0.038295  -0.008750   0.037994
+    1SOL     H6    6  -0.004324  -0.047205   0.178079
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123158  -0.060360   0.025051
+    0SOL     H2    2   0.214206  -0.033994   0.011730
+    0SOL     H3    3   0.098910  -0.104800  -0.056186
+    1SOL     O4    4  -0.130026   0.058458  -0.024672
+    1SOL     H5    5  -0.158921   0.137634   0.020698
+    1SOL     H6    6  -0.050054   0.032435   0.021040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089542  -0.115003  -0.002651
+    0SOL     H2    2  -0.040363  -0.033236   0.004962
+    0SOL     H3    3  -0.175302  -0.088426  -0.035836
+    1SOL     O4    4   0.085490   0.109657   0.005312
+    1SOL     H5    5   0.129710   0.129334  -0.077270
+    1SOL     H6    6   0.155217   0.078582   0.063060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140282  -0.040420  -0.017888
+    0SOL     H2    2   0.130043  -0.134917  -0.006585
+    0SOL     H3    3   0.053576  -0.004471   0.000876
+    1SOL     O4    4  -0.133446   0.040653   0.022971
+    1SOL     H5    5  -0.116063   0.130109  -0.006316
+    1SOL     H6    6  -0.172978  -0.002199  -0.052945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134341  -0.054236  -0.030921
+    0SOL     H2    2  -0.043034  -0.032857  -0.011728
+    0SOL     H3    3  -0.182385   0.026306  -0.011760
+    1SOL     O4    4   0.126890   0.044578   0.031767
+    1SOL     H5    5   0.184815   0.009217  -0.035735
+    1SOL     H6    6   0.154056   0.135866   0.041289
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094920  -0.082288  -0.067149
+    0SOL     H2    2  -0.080587  -0.043134  -0.153310
+    0SOL     H3    3  -0.036624  -0.158186  -0.065279
+    1SOL     O4    4   0.094592   0.082150   0.077474
+    1SOL     H5    5   0.014625   0.042628   0.042751
+    1SOL     H6    6   0.109173   0.159109   0.022456
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033085  -0.124623   0.072049
+    0SOL     H2    2   0.001627  -0.043524   0.034895
+    0SOL     H3    3  -0.091335  -0.159037   0.004336
+    1SOL     O4    4   0.038154   0.118419  -0.062567
+    1SOL     H5    5   0.003519   0.099991  -0.149878
+    1SOL     H6    6   0.006741   0.206560  -0.042399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004015  -0.123876  -0.067069
+    0SOL     H2    2  -0.068301  -0.186521  -0.064194
+    0SOL     H3    3  -0.006065  -0.079433  -0.151245
+    1SOL     O4    4  -0.002817   0.130615   0.069958
+    1SOL     H5    5   0.077895   0.122224   0.120728
+    1SOL     H6    6  -0.025567   0.040770   0.046031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043855   0.078665   0.117303
+    0SOL     H2    2  -0.026075   0.020141   0.043675
+    0SOL     H3    3  -0.098259   0.148114   0.080163
+    1SOL     O4    4   0.042122  -0.077433  -0.104941
+    1SOL     H5    5   0.100930  -0.024911  -0.159212
+    1SOL     H6    6   0.044220  -0.164517  -0.144618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.141080  -0.043483   0.008129
+    0SOL     H2    2   0.131597  -0.125025   0.057355
+    0SOL     H3    3   0.057757  -0.033404  -0.037894
+    1SOL     O4    4  -0.132154   0.048051  -0.002018
+    1SOL     H5    5  -0.158469  -0.033058  -0.045506
+    1SOL     H6    6  -0.165112   0.117588  -0.058945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054301  -0.100637   0.077226
+    0SOL     H2    2  -0.066714  -0.165729   0.008151
+    0SOL     H3    3  -0.091260  -0.141410   0.155545
+    1SOL     O4    4   0.055813   0.113191  -0.076335
+    1SOL     H5    5   0.132047   0.078357  -0.122566
+    1SOL     H6    6   0.003157   0.036057  -0.055357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078538  -0.084927   0.083589
+    0SOL     H2    2   0.085212  -0.057688   0.175109
+    0SOL     H3    3  -0.002639  -0.135480   0.079454
+    1SOL     O4    4  -0.081298   0.087079  -0.086666
+    1SOL     H5    5  -0.033729   0.127146  -0.159426
+    1SOL     H6    6  -0.015819   0.033670  -0.041696
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059242   0.133088   0.004808
+    0SOL     H2    2   0.010272   0.059418  -0.031754
+    0SOL     H3    3   0.091195   0.180982  -0.071661
+    1SOL     O4    4  -0.054682  -0.127889   0.005881
+    1SOL     H5    5  -0.025931  -0.186494  -0.064127
+    1SOL     H6    6  -0.150203  -0.133896   0.004495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025988  -0.037990  -0.143320
+    0SOL     H2    2   0.056423  -0.037740  -0.094630
+    0SOL     H3    3  -0.082238   0.023014  -0.095606
+    1SOL     O4    4   0.030969   0.036302   0.140471
+    1SOL     H5    5  -0.023200   0.086737   0.079773
+    1SOL     H6    6  -0.022624  -0.039757   0.162946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082504  -0.097971   0.061901
+    0SOL     H2    2  -0.047917  -0.124760   0.147039
+    0SOL     H3    3  -0.152673  -0.036320   0.082824
+    1SOL     O4    4   0.084253   0.100107  -0.073924
+    1SOL     H5    5   0.027240   0.026774  -0.050812
+    1SOL     H6    6   0.147823   0.104520  -0.002499
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107033   0.070666   0.076813
+    0SOL     H2    2  -0.036475   0.020818   0.035593
+    0SOL     H3    3  -0.066776   0.109500   0.154489
+    1SOL     O4    4   0.097970  -0.064848  -0.074504
+    1SOL     H5    5   0.056500  -0.145720  -0.104544
+    1SOL     H6    6   0.185714  -0.067256  -0.112683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084365   0.044761  -0.115817
+    0SOL     H2    2  -0.025262   0.050391  -0.190901
+    0SOL     H3    3  -0.029264   0.013135  -0.044221
+    1SOL     O4    4   0.072115  -0.039904   0.115486
+    1SOL     H5    5   0.159983  -0.001941   0.116095
+    1SOL     H6    6   0.086592  -0.134070   0.124744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116236  -0.084444   0.011921
+    0SOL     H2    2  -0.177537  -0.024224   0.054088
+    0SOL     H3    3  -0.145240  -0.088300  -0.079217
+    1SOL     O4    4   0.123723   0.085153  -0.004263
+    1SOL     H5    5   0.159713   0.077311  -0.092611
+    1SOL     H6    6   0.049454   0.024776  -0.003157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025948  -0.097828  -0.111434
+    0SOL     H2    2   0.055840  -0.115866  -0.157779
+    0SOL     H3    3   0.001381  -0.055019  -0.030300
+    1SOL     O4    4   0.019209   0.089292   0.108139
+    1SOL     H5    5   0.089426   0.150109   0.085050
+    1SOL     H6    6  -0.048159   0.144417   0.147953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034904  -0.135134   0.023942
+    0SOL     H2    2   0.026108  -0.183312  -0.031904
+    0SOL     H3    3  -0.108132  -0.195370   0.037040
+    1SOL     O4    4   0.036679   0.147240  -0.018444
+    1SOL     H5    5  -0.007733   0.069816   0.016132
+    1SOL     H6    6   0.065078   0.121456  -0.106142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033479  -0.139407   0.033177
+    0SOL     H2    2   0.111544  -0.145475  -0.021881
+    0SOL     H3    3  -0.036097  -0.178864  -0.019402
+    1SOL     O4    4  -0.034951   0.146968  -0.021848
+    1SOL     H5    5  -0.054327   0.153281  -0.115374
+    1SOL     H6    6   0.001916   0.059321  -0.010840
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120090  -0.079815   0.019714
+    0SOL     H2    2   0.174132  -0.050796   0.093197
+    0SOL     H3    3   0.165150  -0.046446  -0.057864
+    1SOL     O4    4  -0.123190   0.082065  -0.017559
+    1SOL     H5    5  -0.085275  -0.005439  -0.009327
+    1SOL     H6    6  -0.208444   0.067518  -0.058578
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.005184  -0.078909  -0.126068
+    0SOL     H2    2   0.039164   0.001413  -0.165514
+    0SOL     H3    3   0.083260  -0.129671  -0.103939
+    1SOL     O4    4  -0.007478   0.076718   0.132162
+    1SOL     H5    5  -0.068191   0.146453   0.107396
+    1SOL     H6    6  -0.020626   0.008826   0.065981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045172   0.146444   0.005059
+    0SOL     H2    2   0.019498   0.054467  -0.001523
+    0SOL     H3    3  -0.037491   0.194654   0.002819
+    1SOL     O4    4  -0.041243  -0.137631  -0.005257
+    1SOL     H5    5  -0.021552  -0.200394  -0.074794
+    1SOL     H6    6  -0.018047  -0.183326   0.075590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092911  -0.028916   0.119438
+    0SOL     H2    2   0.047821   0.004912   0.042076
+    0SOL     H3    3   0.115689  -0.119003   0.096464
+    1SOL     O4    4  -0.088307   0.026341  -0.117217
+    1SOL     H5    5  -0.074412   0.120260  -0.129407
+    1SOL     H6    6  -0.156675   0.020661  -0.050465
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016223   0.017942  -0.151089
+    0SOL     H2    2  -0.015415  -0.053776  -0.206024
+    0SOL     H3    3  -0.005003  -0.009092  -0.061753
+    1SOL     O4    4  -0.014955  -0.005442   0.145986
+    1SOL     H5    5  -0.072014  -0.077419   0.172930
+    1SOL     H6    6   0.073450  -0.035999   0.166315
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117233   0.068487   0.055481
+    0SOL     H2    2   0.116643   0.153826   0.098830
+    0SOL     H3    3   0.162247   0.010619   0.117023
+    1SOL     O4    4  -0.119781  -0.074112  -0.067385
+    1SOL     H5    5  -0.045784  -0.026612  -0.029563
+    1SOL     H6    6  -0.193812  -0.052200  -0.010803
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092742  -0.088675   0.089135
+    0SOL     H2    2  -0.090504  -0.037051   0.169710
+    0SOL     H3    3  -0.061374  -0.028779   0.021379
+    1SOL     O4    4   0.093341   0.080408  -0.084318
+    1SOL     H5    5   0.041204   0.158259  -0.103895
+    1SOL     H6    6   0.101060   0.034973  -0.168213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084229   0.043020  -0.120789
+    0SOL     H2    2   0.015585  -0.015824  -0.089363
+    0SOL     H3    3   0.124207  -0.003740  -0.194120
+    1SOL     O4    4  -0.082194  -0.031091   0.120813
+    1SOL     H5    5  -0.015319  -0.083683   0.164677
+    1SOL     H6    6  -0.159196  -0.087868   0.117765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021250   0.059504  -0.142280
+    0SOL     H2    2   0.067482   0.023603  -0.141934
+    0SOL     H3    3  -0.078051  -0.016989  -0.151495
+    1SOL     O4    4   0.013963  -0.056505   0.144875
+    1SOL     H5    5   0.099624  -0.048850   0.186898
+    1SOL     H6    6   0.019928  -0.000092   0.067776
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095534   0.109211   0.066863
+    0SOL     H2    2  -0.047494   0.046199   0.013161
+    0SOL     H3    3  -0.070410   0.194675   0.031835
+    1SOL     O4    4   0.091222  -0.107575  -0.055800
+    1SOL     H5    5   0.054879  -0.192942  -0.079337
+    1SOL     H6    6   0.124091  -0.071906  -0.138320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010269  -0.139699  -0.082494
+    0SOL     H2    2   0.046297  -0.167696   0.001652
+    0SOL     H3    3  -0.017428  -0.049253  -0.067841
+    1SOL     O4    4  -0.015410   0.139791   0.072308
+    1SOL     H5    5   0.079025   0.126930   0.063423
+    1SOL     H6    6  -0.038734   0.092112   0.151964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087301  -0.120184   0.052541
+    0SOL     H2    2  -0.040548  -0.202681   0.039478
+    0SOL     H3    3  -0.068934  -0.096317   0.143400
+    1SOL     O4    4   0.080632   0.120678  -0.062400
+    1SOL     H5    5   0.042040   0.124608   0.025107
+    1SOL     H6    6   0.164604   0.165783  -0.053643
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141993   0.056654   0.056795
+    0SOL     H2    2  -0.135328   0.112542   0.134219
+    0SOL     H3    3  -0.052088   0.049137   0.024812
+    1SOL     O4    4   0.134208  -0.057872  -0.053632
+    1SOL     H5    5   0.221695  -0.035638  -0.085475
+    1SOL     H6    6   0.093987  -0.106248  -0.125773
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079220  -0.107504   0.080671
+    0SOL     H2    2  -0.163364  -0.136039   0.045062
+    0SOL     H3    3  -0.096845  -0.090504   0.173206
+    1SOL     O4    4   0.086926   0.109073  -0.090108
+    1SOL     H5    5   0.098906   0.167770  -0.015452
+    1SOL     H6    6   0.042285   0.032658  -0.053634
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031186  -0.161076  -0.017734
+    0SOL     H2    2   0.007114  -0.087031   0.037946
+    0SOL     H3    3   0.104925  -0.202105   0.027449
+    1SOL     O4    4  -0.038904   0.155279   0.008315
+    1SOL     H5    5   0.037699   0.126088   0.057734
+    1SOL     H6    6  -0.036157   0.250791   0.013992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023073  -0.161989   0.020398
+    0SOL     H2    2   0.047976  -0.168746   0.084185
+    0SOL     H3    3  -0.091004  -0.111742   0.065374
+    1SOL     O4    4   0.019577   0.158867  -0.021019
+    1SOL     H5    5  -0.003100   0.216527  -0.093981
+    1SOL     H6    6   0.099570   0.114604  -0.049377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079686  -0.061131  -0.126973
+    0SOL     H2    2  -0.130514  -0.109143  -0.061599
+    0SOL     H3    3  -0.144257  -0.007378  -0.172838
+    1SOL     O4    4   0.085962   0.066871   0.126201
+    1SOL     H5    5   0.145155   0.005686   0.169961
+    1SOL     H6    6   0.024980   0.010976   0.078043
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091577  -0.045964   0.129725
+    0SOL     H2    2   0.138681   0.030587   0.162641
+    0SOL     H3    3   0.152930  -0.087735   0.069281
+    1SOL     O4    4  -0.095192   0.049602  -0.125473
+    1SOL     H5    5  -0.054307  -0.036873  -0.129065
+    1SOL     H6    6  -0.180268   0.037696  -0.167693
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004241  -0.073872   0.157827
+    0SOL     H2    2  -0.030025   0.008972   0.117399
+    0SOL     H3    3   0.066143  -0.106933   0.102011
+    1SOL     O4    4   0.005079   0.068636  -0.148226
+    1SOL     H5    5  -0.041482   0.029231  -0.221993
+    1SOL     H6    6  -0.018824   0.161266  -0.151479
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045747  -0.159810   0.062081
+    0SOL     H2    2  -0.016721  -0.218685  -0.007587
+    0SOL     H3    3  -0.108391  -0.101289   0.019499
+    1SOL     O4    4   0.042408   0.162911  -0.057474
+    1SOL     H5    5   0.057182   0.133083   0.032271
+    1SOL     H6    6   0.122594   0.139306  -0.104116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077987   0.124326  -0.109312
+    0SOL     H2    2  -0.004734   0.161217  -0.078350
+    0SOL     H3    3   0.083722   0.038935  -0.066441
+    1SOL     O4    4  -0.067105  -0.120806   0.104703
+    1SOL     H5    5  -0.127814  -0.064838   0.153121
+    1SOL     H6    6  -0.122629  -0.188285   0.065640
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059491   0.095334   0.143285
+    0SOL     H2    2  -0.091929   0.046157   0.067841
+    0SOL     H3    3  -0.134275   0.147951   0.171591
+    1SOL     O4    4   0.064496  -0.101774  -0.141313
+    1SOL     H5    5   0.120166  -0.055848  -0.078432
+    1SOL     H6    6   0.025650  -0.032161  -0.194297
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127028   0.140591   0.000728
+    0SOL     H2    2  -0.114349   0.076923  -0.069614
+    0SOL     H3    3  -0.039732   0.176494   0.016622
+    1SOL     O4    4   0.127293  -0.140355   0.006000
+    1SOL     H5    5   0.116920  -0.084935  -0.071352
+    1SOL     H6    6   0.039968  -0.176293   0.021659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028613   0.195591   0.058074
+    0SOL     H2    2  -0.063273   0.277693   0.023141
+    0SOL     H3    3   0.056940   0.185931   0.016245
+    1SOL     O4    4   0.022727  -0.193855  -0.055840
+    1SOL     H5    5   0.090509  -0.242452  -0.102810
+    1SOL     H6    6   0.008214  -0.244233   0.024246
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057525  -0.002359   0.209201
+    0SOL     H2    2  -0.135273   0.052562   0.219257
+    0SOL     H3    3  -0.068503  -0.044082   0.123755
+    1SOL     O4    4   0.056961   0.002586  -0.200519
+    1SOL     H5    5   0.069338  -0.052361  -0.277913
+    1SOL     H6    6   0.141606   0.045403  -0.187699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009579  -0.004818  -0.217523
+    0SOL     H2    2  -0.091584   0.000733  -0.266580
+    0SOL     H3    3   0.040235  -0.073559  -0.261745
+    1SOL     O4    4   0.016950   0.011390   0.224922
+    1SOL     H5    5  -0.069867   0.027206   0.262004
+    1SOL     H6    6   0.002198  -0.053494   0.156112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057559  -0.160667   0.143004
+    0SOL     H2    2   0.077233  -0.155284   0.236526
+    0SOL     H3    3   0.064509  -0.253872   0.122344
+    1SOL     O4    4  -0.060205   0.158699  -0.148387
+    1SOL     H5    5  -0.014387   0.200993  -0.075762
+    1SOL     H6    6  -0.088312   0.231040  -0.204414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045409   0.236734  -0.036626
+    0SOL     H2    2  -0.013973   0.163644  -0.053767
+    0SOL     H3    3   0.127303   0.211652  -0.079365
+    1SOL     O4    4  -0.044426  -0.228245   0.035242
+    1SOL     H5    5  -0.135848  -0.253447   0.048255
+    1SOL     H6    6  -0.000604  -0.254222   0.116280
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.008976   0.052329  -0.243899
+    0SOL     H2    2  -0.070413  -0.018225  -0.223651
+    0SOL     H3    3   0.027970   0.077044  -0.159126
+    1SOL     O4    4   0.014348  -0.044286   0.238213
+    1SOL     H5    5  -0.021507  -0.092534   0.163722
+    1SOL     H6    6  -0.018726  -0.090768   0.315076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011008   0.248267  -0.029932
+    0SOL     H2    2   0.084773   0.279871  -0.082107
+    0SOL     H3    3  -0.041475   0.196825  -0.091263
+    1SOL     O4    4  -0.009009  -0.241818   0.038983
+    1SOL     H5    5  -0.091525  -0.246245  -0.009326
+    1SOL     H6    6   0.027437  -0.330080   0.032372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.160538   0.026280   0.246124
+    0SOL     H2    2  -0.100055  -0.010466   0.310575
+    0SOL     H3    3  -0.141642  -0.021626   0.165437
+    1SOL     O4    4   0.157635  -0.020155  -0.238527
+    1SOL     H5    5   0.216271  -0.034625  -0.312789
+    1SOL     H6    6   0.069724  -0.024700  -0.276120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055272  -0.320140   0.121320
+    0SOL     H2    2   0.023242  -0.329814   0.031638
+    0SOL     H3    3   0.060770  -0.225529   0.134765
+    1SOL     O4    4  -0.055600   0.308449  -0.118080
+    1SOL     H5    5  -0.093038   0.388112  -0.155689
+    1SOL     H6    6   0.012751   0.339716  -0.058811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027152   0.079021   0.347765
+    0SOL     H2    2   0.045499   0.126575   0.307480
+    0SOL     H3    3  -0.094854   0.145376   0.361020
+    1SOL     O4    4   0.023759  -0.088303  -0.350713
+    1SOL     H5    5   0.118294  -0.073417  -0.348778
+    1SOL     H6    6  -0.008720  -0.046744  -0.270836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123691   0.371500   0.005149
+    0SOL     H2    2   0.148906   0.419942   0.083762
+    0SOL     H3    3   0.176910   0.409667  -0.064661
+    1SOL     O4    4  -0.128129  -0.377670  -0.012525
+    1SOL     H5    5  -0.056015  -0.384562   0.050040
+    1SOL     H6    6  -0.202365  -0.347235   0.039677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094858   0.400511  -0.066741
+    0SOL     H2    2   0.016249   0.346472  -0.074664
+    0SOL     H3    3   0.132260   0.376196   0.017948
+    1SOL     O4    4  -0.090711  -0.400789   0.066556
+    1SOL     H5    5  -0.039840  -0.361556  -0.004403
+    1SOL     H6    6  -0.174499  -0.354558   0.064422
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054721   0.081434  -0.418168
+    0SOL     H2    2  -0.117559   0.074131  -0.490004
+    0SOL     H3    3  -0.001871   0.001865  -0.424331
+    1SOL     O4    4   0.059973  -0.078945   0.426381
+    1SOL     H5    5   0.067307  -0.053224   0.334473
+    1SOL     H6    6  -0.030242  -0.057545   0.450164
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034285  -0.341784  -0.275879
+    0SOL     H2    2  -0.061721  -0.254987  -0.305473
+    0SOL     H3    3  -0.095085  -0.363359  -0.205167
+    1SOL     O4    4   0.035590   0.337419   0.268061
+    1SOL     H5    5   0.022978   0.393571   0.344549
+    1SOL     H6    6   0.116028   0.289040   0.286808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011858  -0.269957  -0.422147
+    0SOL     H2    2  -0.035343  -0.254373  -0.513624
+    0SOL     H3    3   0.036233  -0.191433  -0.396004
+    1SOL     O4    4   0.008063   0.259408   0.429180
+    1SOL     H5    5   0.101359   0.274345   0.413848
+    1SOL     H6    6  -0.034997   0.336367   0.391958
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120299  -0.626230   0.258391
+    0SOL     H2    2   0.155623  -0.612006   0.170572
+    0SOL     H3    3   0.070576  -0.707719   0.251350
+    1SOL     O4    4  -0.123434   0.627719  -0.258541
+    1SOL     H5    5  -0.030597   0.611411  -0.241875
+    1SOL     H6    6  -0.151974   0.681553  -0.184719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119723  -0.032724   0.007692
+    0SOL     H2    2  -0.153125  -0.038309  -0.081837
+    0SOL     H3    3  -0.173130   0.035099   0.049045
+    1SOL     O4    4   0.128411   0.033329  -0.008692
+    1SOL     H5    5   0.168077  -0.035754   0.044378
+    1SOL     H6    6   0.034287   0.023662   0.005790
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094596   0.085895   0.011857
+    0SOL     H2    2  -0.169746   0.056055  -0.039371
+    0SOL     H3    3  -0.067179   0.167075  -0.030807
+    1SOL     O4    4   0.100694  -0.090667  -0.011731
+    1SOL     H5    5   0.114967  -0.125961   0.076092
+    1SOL     H6    6   0.029691  -0.027390  -0.000918
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024113   0.123327   0.023556
+    0SOL     H2    2  -0.106071   0.172588   0.019251
+    0SOL     H3    3   0.037711   0.175042  -0.028073
+    1SOL     O4    4   0.024890  -0.133407  -0.025515
+    1SOL     H5    5   0.051731  -0.149690   0.064910
+    1SOL     H6    6   0.001430  -0.040622  -0.027247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057703  -0.075620  -0.085143
+    0SOL     H2    2  -0.112539  -0.062870  -0.162556
+    0SOL     H3    3  -0.004090  -0.152113  -0.106043
+    1SOL     O4    4   0.057422   0.086237   0.092109
+    1SOL     H5    5   0.117538   0.024306   0.133497
+    1SOL     H6    6   0.003498   0.032321   0.034251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102327  -0.075400  -0.055798
+    0SOL     H2    2  -0.055179  -0.107095  -0.132836
+    0SOL     H3    3  -0.035342  -0.032299  -0.002717
+    1SOL     O4    4   0.095893   0.068951   0.053200
+    1SOL     H5    5   0.087515   0.160234   0.025640
+    1SOL     H6    6   0.102842   0.073218   0.148572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043944  -0.125007  -0.032447
+    0SOL     H2    2   0.014687  -0.034083  -0.038711
+    0SOL     H3    3   0.082663  -0.143705  -0.117966
+    1SOL     O4    4  -0.041485   0.116527   0.040669
+    1SOL     H5    5  -0.131871   0.145220   0.053686
+    1SOL     H6    6  -0.008176   0.173024  -0.029051
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072531   0.066221  -0.084099
+    0SOL     H2    2   0.080135   0.075327  -0.179081
+    0SOL     H3    3   0.161654   0.078905  -0.051563
+    1SOL     O4    4  -0.078579  -0.064338   0.093136
+    1SOL     H5    5  -0.111098  -0.151325   0.069942
+    1SOL     H6    6  -0.029239  -0.035863   0.016213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046290  -0.123051   0.000274
+    0SOL     H2    2   0.140232  -0.120971   0.018518
+    0SOL     H3    3   0.039455  -0.164534  -0.085719
+    1SOL     O4    4  -0.057210   0.127731   0.005903
+    1SOL     H5    5   0.017203   0.176267  -0.029726
+    1SOL     H6    6  -0.032397   0.035726  -0.003133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075448  -0.095560  -0.054994
+    0SOL     H2    2  -0.001583  -0.121944  -0.105318
+    0SOL     H3    3   0.095449  -0.171439  -0.000179
+    1SOL     O4    4  -0.075048   0.100266   0.060332
+    1SOL     H5    5  -0.067629   0.185743   0.017893
+    1SOL     H6    6  -0.028629   0.040342   0.001880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019363   0.061338  -0.115083
+    0SOL     H2    2   0.033751   0.004802  -0.171163
+    0SOL     H3    3  -0.100941   0.073509  -0.163655
+    1SOL     O4    4   0.017987  -0.062795   0.125978
+    1SOL     H5    5  -0.018731  -0.026678   0.045295
+    1SOL     H6    6   0.107843  -0.029888   0.128287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113900   0.048171  -0.050837
+    0SOL     H2    2   0.142277   0.053275   0.040437
+    0SOL     H3    3   0.139512   0.132284  -0.088671
+    1SOL     O4    4  -0.118737  -0.059266   0.044420
+    1SOL     H5    5  -0.040248  -0.005695   0.032935
+    1SOL     H6    6  -0.172344  -0.010241   0.106750
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018208  -0.045853  -0.130905
+    0SOL     H2    2   0.029139  -0.028511  -0.037406
+    0SOL     H3    3   0.040795  -0.138324  -0.140963
+    1SOL     O4    4  -0.019064   0.047586   0.120339
+    1SOL     H5    5  -0.055257   0.003146   0.197003
+    1SOL     H6    6  -0.002292   0.136996   0.150121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029120  -0.102791   0.079523
+    0SOL     H2    2  -0.119563  -0.133572   0.073610
+    0SOL     H3    3   0.023530  -0.182727   0.078813
+    1SOL     O4    4   0.029202   0.114063  -0.082854
+    1SOL     H5    5  -0.027013   0.044868  -0.048007
+    1SOL     H6    6   0.116812   0.092018  -0.051220
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052283   0.037282  -0.118634
+    0SOL     H2    2  -0.122238   0.102474  -0.122947
+    0SOL     H3    3  -0.096009  -0.046037  -0.136191
+    1SOL     O4    4   0.059039  -0.043355   0.122085
+    1SOL     H5    5   0.058045  -0.006651   0.033688
+    1SOL     H6    6   0.054095   0.032867   0.179776
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103443  -0.079668   0.035869
+    0SOL     H2    2  -0.180888  -0.024954   0.048949
+    0SOL     H3    3  -0.121602  -0.128101  -0.044671
+    1SOL     O4    4   0.108795   0.083829  -0.035814
+    1SOL     H5    5   0.187133   0.058865   0.013199
+    1SOL     H6    6   0.042072   0.021089  -0.007993
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053114   0.082999  -0.094826
+    0SOL     H2    2  -0.147450   0.097401  -0.087370
+    0SOL     H3    3  -0.045025   0.004620  -0.149174
+    1SOL     O4    4   0.059242  -0.086223   0.096484
+    1SOL     H5    5   0.100707  -0.034346   0.165417
+    1SOL     H6    6   0.005756  -0.023353   0.048019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128044   0.064096   0.019437
+    0SOL     H2    2  -0.094167   0.126565  -0.044690
+    0SOL     H3    3  -0.063113  -0.006215   0.021067
+    1SOL     O4    4   0.123810  -0.057405  -0.017071
+    1SOL     H5    5   0.141006  -0.102590   0.065542
+    1SOL     H6    6   0.085101  -0.124377  -0.073450
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055665   0.129495   0.024672
+    0SOL     H2    2  -0.061637   0.185685  -0.052590
+    0SOL     H3    3  -0.030937   0.043724  -0.009886
+    1SOL     O4    4   0.048846  -0.126481  -0.020557
+    1SOL     H5    5   0.083202  -0.117870   0.068369
+    1SOL     H6    6   0.122847  -0.158998  -0.071830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040197  -0.004982   0.129716
+    0SOL     H2    2  -0.009293   0.067322   0.168253
+    0SOL     H3    3   0.098900  -0.033822   0.199606
+    1SOL     O4    4  -0.037870   0.000993  -0.141838
+    1SOL     H5    5  -0.125454   0.037175  -0.128342
+    1SOL     H6    6  -0.001548  -0.007457  -0.053681
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042906  -0.110268  -0.076883
+    0SOL     H2    2  -0.133646  -0.088714  -0.055343
+    0SOL     H3    3  -0.031488  -0.079065  -0.166651
+    1SOL     O4    4   0.045265   0.114171   0.078087
+    1SOL     H5    5   0.047397   0.081434   0.168009
+    1SOL     H6    6   0.071314   0.039171   0.024619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032462   0.132920  -0.013867
+    0SOL     H2    2  -0.038900   0.191952  -0.038054
+    0SOL     H3    3   0.097635   0.144461  -0.083016
+    1SOL     O4    4  -0.031694  -0.139836   0.026137
+    1SOL     H5    5  -0.031452  -0.189312  -0.055804
+    1SOL     H6    6  -0.033536  -0.048124  -0.001211
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123885   0.063722  -0.022696
+    0SOL     H2    2   0.187489   0.011222   0.025891
+    0SOL     H3    3   0.104888   0.137772   0.034907
+    1SOL     O4    4  -0.130063  -0.069974   0.012989
+    1SOL     H5    5  -0.036387  -0.050306   0.013455
+    1SOL     H6    6  -0.169037  -0.002461   0.068535
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121857   0.045511  -0.067895
+    0SOL     H2    2   0.124256   0.139919  -0.083509
+    0SOL     H3    3   0.042686   0.031795  -0.015874
+    1SOL     O4    4  -0.117431  -0.044276   0.061725
+    1SOL     H5    5  -0.146516  -0.132135   0.037290
+    1SOL     H6    6  -0.092133  -0.052087   0.153710
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105739   0.090083   0.022363
+    0SOL     H2    2   0.167821   0.046771  -0.036222
+    0SOL     H3    3   0.144213   0.080435   0.109478
+    1SOL     O4    4  -0.112942  -0.086002  -0.030414
+    1SOL     H5    5  -0.060342  -0.029190   0.025870
+    1SOL     H6    6  -0.151575  -0.149949   0.029424
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112383  -0.002665  -0.094552
+    0SOL     H2    2  -0.030972   0.012679  -0.046604
+    0SOL     H3    3  -0.095658   0.032337  -0.182059
+    1SOL     O4    4   0.102794  -0.001703   0.091943
+    1SOL     H5    5   0.197497   0.011830   0.088697
+    1SOL     H6    6   0.079546   0.013219   0.183590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120915  -0.032720  -0.065007
+    0SOL     H2    2   0.110352  -0.125892  -0.045776
+    0SOL     H3    3   0.127459  -0.028498  -0.160410
+    1SOL     O4    4  -0.123076   0.037073   0.076444
+    1SOL     H5    5  -0.043571   0.003485   0.035054
+    1SOL     H6    6  -0.165178   0.089631   0.008419
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080697  -0.063899   0.106950
+    0SOL     H2    2   0.049307  -0.154220   0.111320
+    0SOL     H3    3   0.049140  -0.031581   0.022558
+    1SOL     O4    4  -0.072073   0.063155  -0.104769
+    1SOL     H5    5  -0.087414   0.155723  -0.123697
+    1SOL     H6    6  -0.141738   0.039298  -0.043615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064128   0.032942  -0.123069
+    0SOL     H2    2   0.143224  -0.010778  -0.091529
+    0SOL     H3    3   0.088667   0.125239  -0.129501
+    1SOL     O4    4  -0.072710  -0.041919   0.124269
+    1SOL     H5    5  -0.040552  -0.026370   0.035463
+    1SOL     H6    6  -0.067176   0.043506   0.167097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066794  -0.077887  -0.105659
+    0SOL     H2    2  -0.001494  -0.022651  -0.062680
+    0SOL     H3    3  -0.018461  -0.122508  -0.175195
+    1SOL     O4    4   0.059189   0.078952   0.100967
+    1SOL     H5    5   0.004397   0.108682   0.173604
+    1SOL     H6    6   0.124258   0.021846   0.141799
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049621  -0.130643   0.031850
+    0SOL     H2    2  -0.084508  -0.147155  -0.055743
+    0SOL     H3    3  -0.126995  -0.114570   0.085862
+    1SOL     O4    4   0.062376   0.131359  -0.032658
+    1SOL     H5    5   0.026104   0.054877   0.012032
+    1SOL     H6    6  -0.007790   0.196400  -0.029698
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.100486  -0.103326  -0.044111
+    0SOL     H2    2   0.147166  -0.021406  -0.060613
+    0SOL     H3    3   0.008373  -0.081839  -0.058805
+    1SOL     O4    4  -0.091478   0.098886   0.047712
+    1SOL     H5    5  -0.154285   0.142390  -0.009951
+    1SOL     H6    6  -0.137258   0.020607   0.078355
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128466  -0.047672   0.028481
+    0SOL     H2    2   0.139715  -0.138076   0.057854
+    0SOL     H3    3   0.189235   0.002848   0.082492
+    1SOL     O4    4  -0.137995   0.048031  -0.028907
+    1SOL     H5    5  -0.045726   0.022949  -0.024480
+    1SOL     H6    6  -0.143954   0.104035  -0.106304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006370  -0.117155   0.094327
+    0SOL     H2    2  -0.032476  -0.182638   0.036317
+    0SOL     H3    3   0.015600  -0.039124   0.039663
+    1SOL     O4    4  -0.002432   0.110470  -0.088028
+    1SOL     H5    5   0.048290   0.190903  -0.077060
+    1SOL     H6    6  -0.093550   0.139695  -0.090412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026626  -0.144726   0.034524
+    0SOL     H2    2   0.058185  -0.184292   0.014424
+    0SOL     H3    3  -0.005054  -0.058615   0.070328
+    1SOL     O4    4   0.023812   0.144166  -0.029919
+    1SOL     H5    5   0.055424   0.125090  -0.118232
+    1SOL     H6    6  -0.070106   0.126049  -0.033612
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030728   0.127598   0.059760
+    0SOL     H2    2   0.080565   0.186798   0.003422
+    0SOL     H3    3  -0.047752   0.177145   0.083174
+    1SOL     O4    4  -0.031584  -0.136585  -0.063560
+    1SOL     H5    5  -0.024543  -0.168966   0.026241
+    1SOL     H6    6   0.004921  -0.048166  -0.060120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010609   0.113632   0.092384
+    0SOL     H2    2   0.093175   0.081897   0.128965
+    0SOL     H3    3   0.036112   0.185065   0.033996
+    1SOL     O4    4  -0.017617  -0.117140  -0.097933
+    1SOL     H5    5  -0.032835  -0.182817  -0.029983
+    1SOL     H6    6   0.002691  -0.036984  -0.049717
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024944   0.104641  -0.096385
+    0SOL     H2    2   0.118026   0.116547  -0.077511
+    0SOL     H3    3  -0.006823   0.192574  -0.116901
+    1SOL     O4    4  -0.030497  -0.112852   0.102408
+    1SOL     H5    5  -0.050839  -0.025845   0.068081
+    1SOL     H6    6   0.025321  -0.152577   0.035561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032634  -0.131040   0.051112
+    0SOL     H2    2  -0.068114  -0.206027   0.003358
+    0SOL     H3    3  -0.083668  -0.127788   0.132028
+    1SOL     O4    4   0.040824   0.140443  -0.052988
+    1SOL     H5    5  -0.045789   0.131274  -0.092692
+    1SOL     H6    6   0.059050   0.054478  -0.015039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003835  -0.097334  -0.115523
+    0SOL     H2    2  -0.004532  -0.005425  -0.088793
+    0SOL     H3    3  -0.063003  -0.100919  -0.190680
+    1SOL     O4    4   0.010050   0.088313   0.112974
+    1SOL     H5    5  -0.068925   0.067581   0.162930
+    1SOL     H6    6   0.043809   0.168186   0.153507
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067775   0.079009  -0.100569
+    0SOL     H2    2  -0.027034   0.061706  -0.185441
+    0SOL     H3    3  -0.153834   0.114939  -0.122139
+    1SOL     O4    4   0.070048  -0.077893   0.113210
+    1SOL     H5    5   0.044175  -0.029223   0.034953
+    1SOL     H6    6   0.101068  -0.162110   0.079932
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015421   0.134575  -0.067731
+    0SOL     H2    2  -0.045687   0.062176  -0.054073
+    0SOL     H3    3  -0.037229   0.202921  -0.109194
+    1SOL     O4    4  -0.014872  -0.131601   0.068009
+    1SOL     H5    5   0.058961  -0.092087   0.114373
+    1SOL     H6    6   0.016539  -0.218297   0.042330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127495  -0.074119  -0.053245
+    0SOL     H2    2  -0.172378   0.008684  -0.036170
+    0SOL     H3    3  -0.038655  -0.048581  -0.078098
+    1SOL     O4    4   0.124852   0.061748   0.051482
+    1SOL     H5    5   0.066636   0.133866   0.027561
+    1SOL     H6    6   0.184543   0.099508   0.116084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078450   0.083184  -0.094108
+    0SOL     H2    2  -0.026517   0.161537  -0.112168
+    0SOL     H3    3  -0.164237   0.116727  -0.068076
+    1SOL     O4    4   0.087014  -0.090039   0.093957
+    1SOL     H5    5   0.030346  -0.063473   0.021533
+    1SOL     H6    6   0.026759  -0.108918   0.165897
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067295   0.019530   0.140765
+    0SOL     H2    2  -0.160313  -0.001619   0.132860
+    0SOL     H3    3  -0.035867   0.023678   0.050447
+    1SOL     O4    4   0.067170  -0.021368  -0.130665
+    1SOL     H5    5   0.090396  -0.046769  -0.219983
+    1SOL     H6    6   0.116491   0.059162  -0.115023
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070682  -0.080990   0.119994
+    0SOL     H2    2  -0.009405  -0.031343   0.103155
+    0SOL     H3    3   0.121084  -0.073437   0.038970
+    1SOL     O4    4  -0.071806   0.071145  -0.112845
+    1SOL     H5    5   0.010239   0.093051  -0.157015
+    1SOL     H6    6  -0.105896   0.155263  -0.082442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066152   0.034768   0.137806
+    0SOL     H2    2  -0.025678   0.017759   0.116823
+    0SOL     H3    3   0.102030  -0.051172   0.159931
+    1SOL     O4    4  -0.061345  -0.034761  -0.139336
+    1SOL     H5    5  -0.146592   0.007569  -0.149504
+    1SOL     H6    6  -0.004380   0.033982  -0.104815
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104192   0.116860   0.005870
+    0SOL     H2    2   0.108556   0.175314   0.081543
+    0SOL     H3    3   0.054764   0.041011   0.036954
+    1SOL     O4    4  -0.099700  -0.109627  -0.014195
+    1SOL     H5    5  -0.066309  -0.159860   0.060129
+    1SOL     H6    6  -0.161539  -0.168673  -0.057228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035013   0.147515   0.056943
+    0SOL     H2    2  -0.077664   0.065161   0.080629
+    0SOL     H3    3   0.054685   0.122562   0.034719
+    1SOL     O4    4   0.029731  -0.138190  -0.051580
+    1SOL     H5    5   0.076603  -0.221585  -0.054822
+    1SOL     H6    6   0.025994  -0.109201  -0.142728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090322  -0.114922  -0.066613
+    0SOL     H2    2   0.062790  -0.043998  -0.008526
+    0SOL     H3    3   0.028942  -0.186072  -0.048378
+    1SOL     O4    4  -0.079321   0.113543   0.057482
+    1SOL     H5    5  -0.171090   0.088413   0.047029
+    1SOL     H6    6  -0.077046   0.162427   0.139746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016960  -0.150088  -0.043924
+    0SOL     H2    2  -0.034631  -0.070568  -0.030612
+    0SOL     H3    3  -0.047051  -0.216020  -0.070717
+    1SOL     O4    4  -0.014800   0.145886   0.049071
+    1SOL     H5    5   0.079890   0.156226   0.058517
+    1SOL     H6    6  -0.036001   0.192014  -0.032077
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054740   0.137093   0.023138
+    0SOL     H2    2   0.135878   0.185517   0.038433
+    0SOL     H3    3  -0.007549   0.203414  -0.006593
+    1SOL     O4    4  -0.052795  -0.146065  -0.028028
+    1SOL     H5    5  -0.029143  -0.070338   0.025528
+    1SOL     H6    6  -0.126310  -0.186206   0.018304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046322  -0.155339   0.021738
+    0SOL     H2    2   0.137572  -0.141008   0.046848
+    0SOL     H3    3   0.008403  -0.067532   0.017936
+    1SOL     O4    4  -0.043435   0.148339  -0.025637
+    1SOL     H5    5  -0.059034   0.202776   0.051536
+    1SOL     H6    6  -0.130161   0.116145  -0.050224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022886  -0.146316   0.100979
+    0SOL     H2    2   0.066711  -0.061298   0.104669
+    0SOL     H3    3  -0.069476  -0.126389   0.116293
+    1SOL     O4    4  -0.021201   0.142988  -0.107871
+    1SOL     H5    5  -0.021576   0.184501  -0.021622
+    1SOL     H6    6  -0.000578   0.051195  -0.090234
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133477   0.021258   0.100286
+    0SOL     H2    2   0.123939   0.057999   0.188158
+    0SOL     H3    3   0.225090  -0.006067   0.095513
+    1SOL     O4    4  -0.136832  -0.027813  -0.103573
+    1SOL     H5    5  -0.084306   0.050884  -0.089078
+    1SOL     H6    6  -0.217443   0.004251  -0.144022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124939  -0.123891  -0.047470
+    0SOL     H2    2   0.084897  -0.206634  -0.020775
+    0SOL     H3    3   0.052140  -0.071870  -0.081476
+    1SOL     O4    4  -0.115049   0.127025   0.042346
+    1SOL     H5    5  -0.073186   0.100461   0.124225
+    1SOL     H6    6  -0.208584   0.128592   0.062623
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014477  -0.095662  -0.154106
+    0SOL     H2    2   0.017596  -0.017400  -0.109286
+    0SOL     H3    3  -0.073580  -0.062172  -0.221542
+    1SOL     O4    4   0.013654   0.094434   0.152952
+    1SOL     H5    5   0.100791   0.077167   0.188605
+    1SOL     H6    6  -0.032668   0.011093   0.161371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102682   0.001650   0.148220
+    0SOL     H2    2   0.037792  -0.035746   0.207828
+    0SOL     H3    3   0.143148  -0.074208   0.106144
+    1SOL     O4    4  -0.095241   0.002922  -0.150958
+    1SOL     H5    5  -0.171635   0.005342  -0.208581
+    1SOL     H6    6  -0.127880   0.034008  -0.066515
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033757   0.106501  -0.162559
+    0SOL     H2    2  -0.110998   0.050777  -0.172096
+    0SOL     H3    3  -0.015952   0.106950  -0.068510
+    1SOL     O4    4   0.042617  -0.101512   0.153675
+    1SOL     H5    5  -0.035901  -0.148846   0.126168
+    1SOL     H6    6   0.028768  -0.084109   0.246775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002111   0.188647   0.013663
+    0SOL     H2    2  -0.079983   0.204841   0.060145
+    0SOL     H3    3   0.053079   0.268665   0.026380
+    1SOL     O4    4  -0.001277  -0.199935  -0.018651
+    1SOL     H5    5  -0.056977  -0.125383  -0.041054
+    1SOL     H6    6   0.067568  -0.162744   0.036481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000485  -0.020373  -0.192783
+    0SOL     H2    2   0.002777  -0.109816  -0.226719
+    0SOL     H3    3  -0.093909  -0.000650  -0.186054
+    1SOL     O4    4   0.001937   0.018877   0.196371
+    1SOL     H5    5   0.084682   0.017625   0.148267
+    1SOL     H6    6  -0.016143   0.111790   0.210608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128381   0.035169  -0.151539
+    0SOL     H2    2  -0.174194   0.070666  -0.075359
+    0SOL     H3    3  -0.075555  -0.036555  -0.116504
+    1SOL     O4    4   0.129961  -0.027102   0.147693
+    1SOL     H5    5   0.154400  -0.114630   0.177757
+    1SOL     H6    6   0.073220  -0.042634   0.072185
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051918  -0.095858   0.165605
+    0SOL     H2    2  -0.129502  -0.039944   0.161541
+    0SOL     H3    3   0.001806  -0.057365   0.234846
+    1SOL     O4    4   0.057279   0.092517  -0.173651
+    1SOL     H5    5  -0.013488   0.141304  -0.131529
+    1SOL     H6    6   0.050101   0.004059  -0.137791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.049874   0.168876  -0.096489
+    0SOL     H2    2   0.139770   0.193885  -0.075146
+    0SOL     H3    3   0.056828   0.078649  -0.127684
+    1SOL     O4    4  -0.052973  -0.161554   0.102050
+    1SOL     H5    5  -0.100276  -0.244622   0.106980
+    1SOL     H6    6  -0.036935  -0.148580   0.008580
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104261   0.084309   0.145719
+    0SOL     H2    2  -0.171004   0.128961   0.197813
+    0SOL     H3    3  -0.134257  -0.006467   0.140999
+    1SOL     O4    4   0.114982  -0.086632  -0.147564
+    1SOL     H5    5   0.065594  -0.069767  -0.227806
+    1SOL     H6    6   0.082475  -0.021635  -0.085267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112283   0.080143  -0.146476
+    0SOL     H2    2  -0.201596   0.094047  -0.114978
+    0SOL     H3    3  -0.068710   0.164299  -0.133002
+    1SOL     O4    4   0.118015  -0.087823   0.149873
+    1SOL     H5    5   0.149745  -0.026470   0.083606
+    1SOL     H6    6   0.034675  -0.119644   0.115171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034820  -0.184400   0.086675
+    0SOL     H2    2  -0.049585  -0.222543   0.110825
+    0SOL     H3    3   0.049832  -0.116047   0.151980
+    1SOL     O4    4  -0.027998   0.188697  -0.093027
+    1SOL     H5    5  -0.009731   0.104542  -0.134819
+    1SOL     H6    6  -0.096658   0.169386  -0.029188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.151803  -0.139358   0.023411
+    0SOL     H2    2   0.126713  -0.140119   0.115782
+    0SOL     H3    3   0.227350  -0.197939   0.018581
+    1SOL     O4    4  -0.154836   0.147229  -0.032686
+    1SOL     H5    5  -0.139598   0.157826   0.061217
+    1SOL     H6    6  -0.165741   0.052899  -0.044735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061886  -0.157485  -0.124735
+    0SOL     H2    2   0.140146  -0.200889  -0.090769
+    0SOL     H3    3   0.004698  -0.229162  -0.152198
+    1SOL     O4    4  -0.059244   0.167460   0.128829
+    1SOL     H5    5  -0.088439   0.076724   0.137597
+    1SOL     H6    6  -0.094994   0.196161   0.044803
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095820   0.112917   0.162423
+    0SOL     H2    2   0.079980   0.167145   0.239694
+    0SOL     H3    3   0.188916   0.124674   0.143527
+    1SOL     O4    4  -0.101385  -0.109719  -0.165562
+    1SOL     H5    5  -0.044581  -0.157304  -0.226153
+    1SOL     H6    6  -0.135766  -0.177127  -0.106942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101913  -0.211819   0.039043
+    0SOL     H2    2  -0.136785  -0.236265   0.124767
+    0SOL     H3    3  -0.019750  -0.166739   0.058524
+    1SOL     O4    4   0.099094   0.205278  -0.040116
+    1SOL     H5    5   0.037133   0.226424  -0.109944
+    1SOL     H6    6   0.166234   0.273229  -0.046217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001631  -0.017374   0.237941
+    0SOL     H2    2  -0.002787   0.028176   0.322013
+    0SOL     H3    3   0.066981  -0.086036   0.251252
+    1SOL     O4    4  -0.002175   0.021121  -0.248719
+    1SOL     H5    5   0.034677   0.011566  -0.160896
+    1SOL     H6    6  -0.091517  -0.012364  -0.241029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082574   0.132599  -0.196519
+    0SOL     H2    2  -0.011515   0.163033  -0.140068
+    0SOL     H3    3  -0.161906   0.168319  -0.156609
+    1SOL     O4    4   0.082645  -0.131333   0.196576
+    1SOL     H5    5   0.132847  -0.212717   0.192262
+    1SOL     H6    6   0.035603  -0.127708   0.113292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088627   0.195743   0.132081
+    0SOL     H2    2   0.179739   0.167476   0.124218
+    0SOL     H3    3   0.093312   0.279079   0.178937
+    1SOL     O4    4  -0.091681  -0.205753  -0.134241
+    1SOL     H5    5  -0.174613  -0.169937  -0.102588
+    1SOL     H6    6  -0.043577  -0.129692  -0.166845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054925  -0.061763   0.248020
+    0SOL     H2    2   0.027860  -0.092708   0.284780
+    0SOL     H3    3  -0.079186   0.012794   0.302930
+    1SOL     O4    4   0.052649   0.054172  -0.249471
+    1SOL     H5    5   0.106977   0.132578  -0.257422
+    1SOL     H6    6  -0.021026   0.069936  -0.308513
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053345  -0.191769  -0.174751
+    0SOL     H2    2  -0.032246  -0.234604  -0.173415
+    0SOL     H3    3   0.104964  -0.239251  -0.109610
+    1SOL     O4    4  -0.054197   0.202000   0.174644
+    1SOL     H5    5   0.013355   0.143777   0.209416
+    1SOL     H6    6  -0.069757   0.170272   0.085685
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015689  -0.270361  -0.005625
+    0SOL     H2    2   0.000201  -0.254593  -0.098759
+    0SOL     H3    3  -0.063930  -0.239362   0.037529
+    1SOL     O4    4  -0.007093   0.269308   0.013058
+    1SOL     H5    5  -0.042858   0.330527  -0.051249
+    1SOL     H6    6  -0.038164   0.183451  -0.015674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055242  -0.083674   0.278477
+    0SOL     H2    2   0.005016  -0.048345   0.205050
+    0SOL     H3    3   0.143165  -0.047628   0.266963
+    1SOL     O4    4  -0.054302   0.077252  -0.268644
+    1SOL     H5    5  -0.146518   0.102904  -0.267857
+    1SOL     H6    6  -0.025508   0.093965  -0.358387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.167507  -0.016701  -0.241842
+    0SOL     H2    2  -0.178366   0.037369  -0.163607
+    0SOL     H3    3  -0.214036  -0.097859  -0.221572
+    1SOL     O4    4   0.166323   0.019903   0.231903
+    1SOL     H5    5   0.197913   0.071891   0.305806
+    1SOL     H6    6   0.216178  -0.061657   0.236884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069120   0.293335   0.046919
+    0SOL     H2    2   0.143480   0.234386   0.034347
+    0SOL     H3    3   0.018614   0.253479   0.117792
+    1SOL     O4    4  -0.074887  -0.284403  -0.046638
+    1SOL     H5    5   0.018043  -0.263695  -0.056511
+    1SOL     H6    6  -0.087771  -0.362900  -0.099879
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039799   0.012814  -0.337705
+    0SOL     H2    2  -0.008941  -0.017236  -0.423187
+    0SOL     H3    3  -0.134617   0.021000  -0.347938
+    1SOL     O4    4   0.039178  -0.012660   0.348956
+    1SOL     H5    5   0.088711   0.066867   0.329355
+    1SOL     H6    6   0.061106  -0.072753   0.277750
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094565   0.350089   0.065234
+    0SOL     H2    2  -0.142981   0.405291   0.003826
+    0SOL     H3    3  -0.002718   0.372682   0.050538
+    1SOL     O4    4   0.089572  -0.352215  -0.066590
+    1SOL     H5    5   0.044707  -0.369618   0.016154
+    1SOL     H6    6   0.180776  -0.375997  -0.049902
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025544  -0.317648  -0.220543
+    0SOL     H2    2   0.114251  -0.296993  -0.191102
+    0SOL     H3    3  -0.028633  -0.247383  -0.184627
+    1SOL     O4    4  -0.027430   0.318529   0.220352
+    1SOL     H5    5  -0.007549   0.303937   0.127864
+    1SOL     H6    6  -0.044596   0.231084   0.255296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004667   0.339721   0.196894
+    0SOL     H2    2   0.085559   0.386408   0.217853
+    0SOL     H3    3  -0.059388   0.373369   0.259561
+    1SOL     O4    4  -0.005189  -0.338096  -0.199687
+    1SOL     H5    5   0.013278  -0.416891  -0.148574
+    1SOL     H6    6  -0.028544  -0.370776  -0.286571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000402   0.386531   0.084081
+    0SOL     H2    2   0.016223   0.473541   0.120347
+    0SOL     H3    3  -0.075253   0.398770   0.025686
+    1SOL     O4    4   0.008318  -0.391815  -0.077233
+    1SOL     H5    5   0.027282  -0.417378  -0.167506
+    1SOL     H6    6  -0.085520  -0.372931  -0.076847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049421   0.413212  -0.132987
+    0SOL     H2    2  -0.136928   0.375795  -0.122754
+    0SOL     H3    3  -0.025849   0.443462  -0.045285
+    1SOL     O4    4   0.050349  -0.407299   0.130743
+    1SOL     H5    5   0.139978  -0.423434   0.101269
+    1SOL     H6    6   0.002382  -0.486386   0.106113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054636  -0.388041  -0.199058
+    0SOL     H2    2   0.053529  -0.478844  -0.229323
+    0SOL     H3    3   0.104539  -0.390563  -0.117415
+    1SOL     O4    4  -0.055918   0.388346   0.191859
+    1SOL     H5    5  -0.071572   0.478428   0.163530
+    1SOL     H6    6  -0.070444   0.390070   0.286455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061791   0.435073   0.159876
+    0SOL     H2    2   0.029173   0.501114   0.221007
+    0SOL     H3    3   0.130124   0.388986   0.208548
+    1SOL     O4    4  -0.068288  -0.431228  -0.163370
+    1SOL     H5    5  -0.007098  -0.485192  -0.113311
+    1SOL     H6    6  -0.056036  -0.458982  -0.254155
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.198152   0.457568   0.104506
+    0SOL     H2    2  -0.203398   0.371064   0.063861
+    0SOL     H3    3  -0.105455   0.468546   0.125694
+    1SOL     O4    4   0.196348  -0.447821  -0.100799
+    1SOL     H5    5   0.172794  -0.462925  -0.192338
+    1SOL     H6    6   0.158247  -0.521915  -0.053675
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083361   0.045701   0.505043
+    0SOL     H2    2  -0.069835   0.126133   0.555144
+    0SOL     H3    3  -0.148283  -0.003345   0.555461
+    1SOL     O4    4   0.090716  -0.044802  -0.506310
+    1SOL     H5    5   0.082402  -0.021105  -0.598677
+    1SOL     H6    6   0.024769  -0.112885  -0.492971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.843890  -0.959645  -0.653047
+    0SOL     H2    2  -0.802156  -0.880113  -0.686141
+    0SOL     H3    3  -0.786508  -1.030631  -0.681867
+    1SOL     O4    4   0.841633   0.953582   0.654034
+    1SOL     H5    5   0.755166   0.957364   0.694918
+    1SOL     H6    6   0.872297   1.044257   0.654312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060093  -0.103761  -0.030652
+    0SOL     H2    2   0.102438  -0.166688   0.027738
+    0SOL     H3    3   0.060024  -0.146689  -0.116207
+    1SOL     O4    4  -0.067206   0.112061   0.037311
+    1SOL     H5    5  -0.027524   0.165430  -0.031532
+    1SOL     H6    6  -0.029783   0.024872   0.024660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106488   0.059843   0.055496
+    0SOL     H2    2   0.075343   0.120200   0.122945
+    0SOL     H3    3   0.026918   0.029780   0.011598
+    1SOL     O4    4  -0.101706  -0.056063  -0.052516
+    1SOL     H5    5  -0.098443  -0.148803  -0.029042
+    1SOL     H6    6  -0.076081  -0.053727  -0.144712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105369   0.069616  -0.012640
+    0SOL     H2    2   0.071138   0.157220   0.005140
+    0SOL     H3    3   0.172629   0.056127   0.054117
+    1SOL     O4    4  -0.113710  -0.071191   0.008597
+    1SOL     H5    5  -0.092366  -0.164462   0.011291
+    1SOL     H6    6  -0.031300  -0.028372  -0.014584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071872  -0.077755  -0.071016
+    0SOL     H2    2  -0.079547  -0.148772  -0.007298
+    0SOL     H3    3  -0.160887  -0.065334  -0.103946
+    1SOL     O4    4   0.077502   0.079601   0.076230
+    1SOL     H5    5   0.133726   0.139323   0.026889
+    1SOL     H6    6   0.016426   0.044911   0.011202
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016819  -0.062220   0.110051
+    0SOL     H2    2   0.078649  -0.133890   0.095810
+    0SOL     H3    3   0.058999  -0.006832   0.175742
+    1SOL     O4    4  -0.025345   0.061059  -0.120064
+    1SOL     H5    5  -0.010593   0.002914  -0.045474
+    1SOL     H6    6  -0.006016   0.148578  -0.086461
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127586  -0.005799   0.011961
+    0SOL     H2    2   0.161931  -0.039160   0.094845
+    0SOL     H3    3   0.141702   0.088768   0.016460
+    1SOL     O4    4  -0.136104   0.006641  -0.016592
+    1SOL     H5    5  -0.042420   0.024166  -0.007736
+    1SOL     H6    6  -0.141217  -0.086697  -0.037189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095012  -0.096025   0.026829
+    0SOL     H2    2   0.022163  -0.033950   0.025372
+    0SOL     H3    3   0.154096  -0.065306  -0.041929
+    1SOL     O4    4  -0.092773   0.089152  -0.016493
+    1SOL     H5    5  -0.055151   0.158909  -0.070166
+    1SOL     H6    6  -0.154754   0.044983  -0.074543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044256  -0.112482  -0.052119
+    0SOL     H2    2  -0.047561  -0.138564  -0.044925
+    0SOL     H3    3   0.087361  -0.155836   0.021533
+    1SOL     O4    4  -0.040501   0.118319   0.053795
+    1SOL     H5    5  -0.011144   0.040333   0.006694
+    1SOL     H6    6  -0.086611   0.170218  -0.012104
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055171   0.113303  -0.005867
+    0SOL     H2    2  -0.142268   0.124559  -0.043941
+    0SOL     H3    3  -0.029918   0.201115   0.022658
+    1SOL     O4    4   0.064770  -0.119770   0.008076
+    1SOL     H5    5   0.019255  -0.038107  -0.012465
+    1SOL     H6    6  -0.001957  -0.187643  -0.002076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041645  -0.107809   0.057958
+    0SOL     H2    2  -0.022178  -0.178081   0.045679
+    0SOL     H3    3   0.044153  -0.093940   0.152634
+    1SOL     O4    4  -0.041735   0.113426  -0.068009
+    1SOL     H5    5  -0.001296   0.165747   0.001198
+    1SOL     H6    6  -0.019190   0.023031  -0.046036
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009542  -0.064076  -0.124175
+    0SOL     H2    2   0.013725  -0.042341  -0.031049
+    0SOL     H3    3  -0.015818   0.017786  -0.166810
+    1SOL     O4    4  -0.008935   0.054249   0.116455
+    1SOL     H5    5  -0.002475   0.033486   0.209673
+    1SOL     H6    6  -0.004253   0.149784   0.112767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060158   0.056264   0.113220
+    0SOL     H2    2   0.005254   0.037671   0.037048
+    0SOL     H3    3   0.145999   0.077186   0.076397
+    1SOL     O4    4  -0.062931  -0.050559  -0.105434
+    1SOL     H5    5  -0.083910  -0.125650  -0.049905
+    1SOL     H6    6  -0.022402  -0.088832  -0.183247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018455   0.028673   0.126202
+    0SOL     H2    2   0.066684   0.051560   0.163482
+    0SOL     H3    3  -0.081519   0.051843   0.194382
+    1SOL     O4    4   0.012157  -0.034590  -0.136390
+    1SOL     H5    5   0.003193  -0.005597  -0.045608
+    1SOL     H6    6   0.101450  -0.010123  -0.160691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.005403   0.020194  -0.131740
+    0SOL     H2    2  -0.008081   0.113967  -0.145421
+    0SOL     H3    3   0.072031  -0.004100  -0.196027
+    1SOL     O4    4  -0.004148  -0.025308   0.140691
+    1SOL     H5    5  -0.098850  -0.011487   0.142352
+    1SOL     H6    6   0.020320  -0.012837   0.048995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065752  -0.114164   0.029030
+    0SOL     H2    2   0.016948  -0.176904  -0.024300
+    0SOL     H3    3   0.061855  -0.149920   0.117735
+    1SOL     O4    4  -0.068026   0.120610  -0.035151
+    1SOL     H5    5  -0.027781   0.187157   0.020654
+    1SOL     H6    6  -0.014902   0.042225  -0.021152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003161   0.137206   0.000349
+    0SOL     H2    2   0.046844   0.126155   0.084801
+    0SOL     H3    3  -0.080959   0.177461   0.021928
+    1SOL     O4    4   0.000736  -0.141498   0.000097
+    1SOL     H5    5  -0.000131  -0.049240  -0.025397
+    1SOL     H6    6  -0.025715  -0.188498  -0.078983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085433   0.000909   0.103057
+    0SOL     H2    2   0.054004   0.037590   0.185695
+    0SOL     H3    3   0.131096  -0.079356   0.128253
+    1SOL     O4    4  -0.086399  -0.003351  -0.114126
+    1SOL     H5    5  -0.017698   0.007509  -0.048365
+    1SOL     H6    6  -0.149670   0.065703  -0.094363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083234   0.100475   0.038696
+    0SOL     H2    2   0.043672   0.123684   0.122711
+    0SOL     H3    3   0.084515   0.182460  -0.010691
+    1SOL     O4    4  -0.079555  -0.112983  -0.041400
+    1SOL     H5    5  -0.039220  -0.048923   0.017180
+    1SOL     H6    6  -0.146456  -0.063479  -0.088685
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009315   0.115941  -0.065793
+    0SOL     H2    2   0.046798   0.112910  -0.153817
+    0SOL     H3    3   0.003015   0.209293  -0.045594
+    1SOL     O4    4  -0.006630  -0.125042   0.067249
+    1SOL     H5    5  -0.032482  -0.039297   0.033459
+    1SOL     H6    6  -0.062177  -0.138309   0.144066
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127070  -0.061902   0.023114
+    0SOL     H2    2   0.040431  -0.033989  -0.006495
+    0SOL     H3    3   0.174580  -0.082209  -0.057464
+    1SOL     O4    4  -0.125305   0.055254  -0.013906
+    1SOL     H5    5  -0.100374   0.136025   0.031004
+    1SOL     H6    6  -0.142430   0.082263  -0.104125
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071551   0.074120   0.100960
+    0SOL     H2    2  -0.143299   0.118065   0.055316
+    0SOL     H3    3  -0.024192   0.027566   0.032024
+    1SOL     O4    4   0.067195  -0.071104  -0.092129
+    1SOL     H5    5   0.086967  -0.163804  -0.105474
+    1SOL     H6    6   0.148147  -0.025691  -0.115514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043418   0.003630  -0.127760
+    0SOL     H2    2  -0.092877   0.074412  -0.169065
+    0SOL     H3    3  -0.068451  -0.074805  -0.176582
+    1SOL     O4    4   0.045915   0.003115   0.136968
+    1SOL     H5    5   0.064404  -0.085488   0.168114
+    1SOL     H6    6   0.054608  -0.002594   0.041814
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128448  -0.048288  -0.003928
+    0SOL     H2    2   0.172770   0.026459  -0.044063
+    0SOL     H3    3   0.148038  -0.121817  -0.061997
+    1SOL     O4    4  -0.132135   0.055058   0.009613
+    1SOL     H5    5  -0.209017   0.002222   0.031058
+    1SOL     H6    6  -0.062054  -0.008793  -0.003573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067882  -0.004567  -0.120461
+    0SOL     H2    2   0.028968  -0.023416  -0.205859
+    0SOL     H3    3   0.082282   0.090062  -0.121010
+    1SOL     O4    4  -0.068185  -0.004471   0.130674
+    1SOL     H5    5  -0.097445   0.086205   0.121511
+    1SOL     H6    6  -0.009611  -0.018423   0.056265
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044920   0.021091   0.139777
+    0SOL     H2    2  -0.053194   0.024475   0.044476
+    0SOL     H3    3   0.045173  -0.007409   0.155048
+    1SOL     O4    4   0.039478  -0.015248  -0.128677
+    1SOL     H5    5   0.073046  -0.104482  -0.137207
+    1SOL     H6    6   0.012717   0.008904  -0.217349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043802  -0.074835   0.104011
+    0SOL     H2    2  -0.032815  -0.169674   0.110884
+    0SOL     H3    3  -0.085225  -0.049436   0.186482
+    1SOL     O4    4   0.043418   0.084365  -0.110568
+    1SOL     H5    5   0.013175   0.024706  -0.042095
+    1SOL     H6    6   0.114391   0.037046  -0.153996
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078236  -0.034493  -0.113581
+    0SOL     H2    2   0.148870  -0.087948  -0.077309
+    0SOL     H3    3   0.113206   0.054610  -0.113699
+    1SOL     O4    4  -0.084557   0.038712   0.111176
+    1SOL     H5    5  -0.068933  -0.024731   0.041225
+    1SOL     H6    6  -0.094873  -0.014561   0.190029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.100641   0.002043  -0.097035
+    0SOL     H2    2   0.178081  -0.001597  -0.040891
+    0SOL     H3    3   0.124228  -0.049965  -0.173854
+    1SOL     O4    4  -0.112298   0.004398   0.099392
+    1SOL     H5    5  -0.072243  -0.057846   0.160086
+    1SOL     H6    6  -0.050641   0.009780   0.026373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023932  -0.049090   0.139393
+    0SOL     H2    2   0.005695   0.029088   0.191526
+    0SOL     H3    3   0.036042  -0.016240   0.050306
+    1SOL     O4    4  -0.024004   0.047499  -0.133095
+    1SOL     H5    5   0.053829   0.001474  -0.164496
+    1SOL     H6    6  -0.097272   0.001308  -0.173845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033622   0.052363  -0.135984
+    0SOL     H2    2   0.011674   0.010815  -0.052592
+    0SOL     H3    3  -0.043057   0.037240  -0.191246
+    1SOL     O4    4  -0.023610  -0.049026   0.129112
+    1SOL     H5    5  -0.097001  -0.106141   0.151780
+    1SOL     H6    6  -0.019530   0.014369   0.200713
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086684  -0.093433  -0.056041
+    0SOL     H2    2  -0.063011  -0.182820  -0.080779
+    0SOL     H3    3  -0.175551  -0.081952  -0.089704
+    1SOL     O4    4   0.095794   0.100740   0.055521
+    1SOL     H5    5   0.024080   0.044804   0.025680
+    1SOL     H6    6   0.083349   0.107251   0.150205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.098521   0.094521  -0.059339
+    0SOL     H2    2   0.053070   0.015305  -0.030681
+    0SOL     H3    3   0.189333   0.066925  -0.071747
+    1SOL     O4    4  -0.097859  -0.084712   0.054921
+    1SOL     H5    5  -0.137837  -0.068019   0.140275
+    1SOL     H6    6  -0.119092  -0.176096   0.035935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053342  -0.142391  -0.002237
+    0SOL     H2    2  -0.017418  -0.160275   0.084664
+    0SOL     H3    3  -0.042870  -0.047921  -0.013558
+    1SOL     O4    4   0.045005   0.137841   0.002340
+    1SOL     H5    5   0.134356   0.114443   0.027466
+    1SOL     H6    6   0.052068   0.164584  -0.089297
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019604  -0.132235   0.050375
+    0SOL     H2    2   0.074907  -0.133958   0.065441
+    0SOL     H3    3  -0.056311  -0.183653   0.122286
+    1SOL     O4    4   0.021471   0.135559  -0.059649
+    1SOL     H5    5  -0.030522   0.210296  -0.030098
+    1SOL     H6    6  -0.018885   0.059916  -0.017082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077491  -0.006371   0.128939
+    0SOL     H2    2   0.037295   0.010902   0.043802
+    0SOL     H3    3   0.126371   0.073436   0.149036
+    1SOL     O4    4  -0.071169   0.001546  -0.124031
+    1SOL     H5    5  -0.127021  -0.076123  -0.127250
+    1SOL     H6    6  -0.130138   0.074342  -0.143674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020321   0.140566  -0.021482
+    0SOL     H2    2   0.027079   0.145150  -0.104516
+    0SOL     H3    3  -0.095814   0.198125  -0.033735
+    1SOL     O4    4   0.024775  -0.145296   0.033375
+    1SOL     H5    5   0.025619  -0.208688  -0.038341
+    1SOL     H6    6  -0.021979  -0.069641  -0.002018
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028386   0.051224   0.130877
+    0SOL     H2    2  -0.055182   0.011896   0.213929
+    0SOL     H3    3   0.030587   0.122339   0.155920
+    1SOL     O4    4   0.027421  -0.047900  -0.141343
+    1SOL     H5    5   0.042161  -0.141453  -0.155232
+    1SOL     H6    6   0.000479  -0.041189  -0.049739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012873  -0.139088   0.068965
+    0SOL     H2    2   0.052047  -0.072203   0.047190
+    0SOL     H3    3  -0.094855  -0.105722   0.032525
+    1SOL     O4    4   0.007714   0.129488  -0.067233
+    1SOL     H5    5   0.092579   0.131514  -0.111462
+    1SOL     H6    6   0.015891   0.193646   0.003331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066372   0.060520  -0.115064
+    0SOL     H2    2  -0.161401   0.049068  -0.114220
+    0SOL     H3    3  -0.053660   0.154966  -0.124046
+    1SOL     O4    4   0.073207  -0.060991   0.120276
+    1SOL     H5    5   0.075636  -0.156679   0.119997
+    1SOL     H6    6   0.029898  -0.037844   0.038113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045968   0.126765  -0.077133
+    0SOL     H2    2   0.051536   0.037677  -0.042570
+    0SOL     H3    3   0.031071   0.181525  -0.000050
+    1SOL     O4    4  -0.040235  -0.123509   0.067158
+    1SOL     H5    5  -0.039125  -0.179171   0.145023
+    1SOL     H6    6  -0.130800  -0.093223   0.060597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050374  -0.095532  -0.096548
+    0SOL     H2    2   0.005248  -0.105842  -0.180332
+    0SOL     H3    3   0.119907  -0.161287  -0.098490
+    1SOL     O4    4  -0.050760   0.106884   0.100711
+    1SOL     H5    5  -0.091951   0.058838   0.172524
+    1SOL     H6    6  -0.024902   0.039138   0.038228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006821  -0.003255  -0.155140
+    0SOL     H2    2   0.094860   0.019544  -0.185002
+    0SOL     H3    3   0.010761   0.005509  -0.059904
+    1SOL     O4    4  -0.013687   0.004059   0.144745
+    1SOL     H5    5   0.067817   0.020690   0.192103
+    1SOL     H6    6  -0.064630  -0.051743   0.203509
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032319  -0.100510  -0.120447
+    0SOL     H2    2   0.034682  -0.025729  -0.060743
+    0SOL     H3    3  -0.044408  -0.150724  -0.092991
+    1SOL     O4    4  -0.027277   0.093363   0.112487
+    1SOL     H5    5  -0.010775   0.112438   0.204824
+    1SOL     H6    6  -0.055045   0.177070   0.075280
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.005529  -0.021110   0.160269
+    0SOL     H2    2   0.057111   0.037725   0.105133
+    0SOL     H3    3  -0.041858  -0.076634   0.098350
+    1SOL     O4    4  -0.003604   0.018927  -0.158927
+    1SOL     H5    5   0.031300   0.094116  -0.111066
+    1SOL     H6    6  -0.075158  -0.013296  -0.104117
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088333   0.129202  -0.035351
+    0SOL     H2    2  -0.159472   0.108883   0.025383
+    0SOL     H3    3  -0.015586   0.074146  -0.006384
+    1SOL     O4    4   0.084957  -0.122531   0.035428
+    1SOL     H5    5   0.063085  -0.202846  -0.011832
+    1SOL     H6    6   0.163672  -0.089766  -0.008077
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114991   0.002173   0.112919
+    0SOL     H2    2  -0.042016   0.057147   0.084374
+    0SOL     H3    3  -0.175960   0.003007   0.039133
+    1SOL     O4    4   0.114892   0.001137  -0.107971
+    1SOL     H5    5   0.050035  -0.062444  -0.138193
+    1SOL     H6    6   0.170978  -0.048341  -0.048233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.069621  -0.136826  -0.010703
+    0SOL     H2    2  -0.159000  -0.127686  -0.043719
+    0SOL     H3    3  -0.061906  -0.229404   0.012364
+    1SOL     O4    4   0.074142   0.146966   0.007932
+    1SOL     H5    5   0.113994   0.128206   0.092915
+    1SOL     H6    6   0.029113   0.065923  -0.015873
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094991  -0.096495   0.096144
+    0SOL     H2    2  -0.139158  -0.021374   0.135747
+    0SOL     H3    3  -0.102199  -0.081609   0.001864
+    1SOL     O4    4   0.095319   0.088678  -0.098211
+    1SOL     H5    5   0.135103   0.175636  -0.102431
+    1SOL     H6    6   0.096738   0.066126  -0.005196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099800   0.128048  -0.034441
+    0SOL     H2    2   0.064107   0.041146  -0.052782
+    0SOL     H3    3   0.194624   0.117014  -0.041444
+    1SOL     O4    4  -0.096186  -0.122036   0.037498
+    1SOL     H5    5  -0.170421  -0.083867   0.084343
+    1SOL     H6    6  -0.135661  -0.168196  -0.036484
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047158  -0.078023   0.139149
+    0SOL     H2    2  -0.018293  -0.162537   0.104702
+    0SOL     H3    3   0.031023  -0.040753   0.179905
+    1SOL     O4    4   0.041723   0.078179  -0.146061
+    1SOL     H5    5   0.029651   0.030524  -0.063929
+    1SOL     H6    6   0.042061   0.170412  -0.120464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050712  -0.100475  -0.122126
+    0SOL     H2    2   0.128443  -0.045899  -0.110221
+    0SOL     H3    3   0.077937  -0.187617  -0.093362
+    1SOL     O4    4  -0.053342   0.098919   0.124248
+    1SOL     H5    5  -0.081334   0.190455   0.124080
+    1SOL     H6    6  -0.089656   0.062570   0.043487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036225   0.058081   0.147753
+    0SOL     H2    2  -0.033914   0.113499   0.225765
+    0SOL     H3    3  -0.019773  -0.030306   0.180607
+    1SOL     O4    4   0.034458  -0.061679  -0.158739
+    1SOL     H5    5  -0.013404   0.021152  -0.161994
+    1SOL     H6    6   0.093264  -0.052487  -0.083774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030013   0.166111  -0.042978
+    0SOL     H2    2   0.021859   0.202854   0.028587
+    0SOL     H3    3  -0.119914   0.192586  -0.023508
+    1SOL     O4    4   0.036770  -0.170073   0.041537
+    1SOL     H5    5   0.038834  -0.188324  -0.052404
+    1SOL     H6    6  -0.054530  -0.147740   0.059645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111567   0.132674   0.066568
+    0SOL     H2    2   0.063994   0.050508   0.054406
+    0SOL     H3    3   0.115478   0.144317   0.161496
+    1SOL     O4    4  -0.108915  -0.122828  -0.074800
+    1SOL     H5    5  -0.074129  -0.207962  -0.101340
+    1SOL     H6    6  -0.146361  -0.138187   0.011942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096426   0.010094  -0.160634
+    0SOL     H2    2  -0.047176   0.013211  -0.078615
+    0SOL     H3    3  -0.145329  -0.072068  -0.156155
+    1SOL     O4    4   0.090536  -0.007469   0.154808
+    1SOL     H5    5   0.139907  -0.002151   0.236640
+    1SOL     H6    6   0.151467   0.023818   0.087943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.151010  -0.110197   0.004440
+    0SOL     H2    2   0.158872  -0.184101   0.064762
+    0SOL     H3    3   0.085084  -0.053483   0.044435
+    1SOL     O4    4  -0.148459   0.117576  -0.013586
+    1SOL     H5    5  -0.102660   0.099554   0.068512
+    1SOL     H6    6  -0.179370   0.031935  -0.043122
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.182406   0.001909  -0.045981
+    0SOL     H2    2  -0.191758  -0.074438   0.010994
+    0SOL     H3    3  -0.126125  -0.028146  -0.117335
+    1SOL     O4    4   0.173487   0.004165   0.046326
+    1SOL     H5    5   0.234387  -0.064662   0.019560
+    1SOL     H6    6   0.229352   0.072744   0.082911
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119489   0.137140  -0.045061
+    0SOL     H2    2   0.147816   0.062111  -0.097315
+    0SOL     H3    3   0.194853   0.196153  -0.044979
+    1SOL     O4    4  -0.122708  -0.141917   0.044454
+    1SOL     H5    5  -0.193768  -0.081655   0.022517
+    1SOL     H6    6  -0.088324  -0.109227   0.127589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.129233   0.142757   0.009706
+    0SOL     H2    2  -0.192761   0.078946  -0.022770
+    0SOL     H3    3  -0.154240   0.157209   0.100964
+    1SOL     O4    4   0.129368  -0.144345  -0.013367
+    1SOL     H5    5   0.130853  -0.057847   0.027598
+    1SOL     H6    6   0.215603  -0.153155  -0.053966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031382  -0.103921  -0.160713
+    0SOL     H2    2  -0.004401  -0.140007  -0.241829
+    0SOL     H3    3   0.005272  -0.011838  -0.161841
+    1SOL     O4    4  -0.023085   0.103729   0.161283
+    1SOL     H5    5  -0.054136   0.132058   0.247281
+    1SOL     H6    6  -0.072399   0.023726   0.143120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045979   0.126284   0.149467
+    0SOL     H2    2  -0.035464   0.221037   0.158049
+    0SOL     H3    3  -0.018957   0.107176   0.059651
+    1SOL     O4    4   0.041822  -0.126915  -0.139591
+    1SOL     H5    5   0.019348  -0.101706  -0.229155
+    1SOL     H6    6   0.098557  -0.203345  -0.149691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015714   0.028694   0.204605
+    0SOL     H2    2   0.023248   0.090263   0.142528
+    0SOL     H3    3  -0.009453   0.072828   0.289312
+    1SOL     O4    4   0.015324  -0.040778  -0.208707
+    1SOL     H5    5   0.065344   0.037404  -0.185301
+    1SOL     H6    6  -0.075239  -0.018745  -0.186908
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.208971   0.002284  -0.029083
+    0SOL     H2    2  -0.271973  -0.028165   0.036230
+    0SOL     H3    3  -0.138871  -0.062862  -0.027006
+    1SOL     O4    4   0.202589   0.000920   0.026564
+    1SOL     H5    5   0.265043  -0.040894  -0.032710
+    1SOL     H6    6   0.249520   0.076795   0.061244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069676  -0.198721  -0.050647
+    0SOL     H2    2  -0.001413  -0.243522  -0.096490
+    0SOL     H3    3   0.054014  -0.105739  -0.067119
+    1SOL     O4    4  -0.070644   0.193230   0.053304
+    1SOL     H5    5   0.014616   0.167505   0.018213
+    1SOL     H6    6  -0.052257   0.270399   0.106869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013703  -0.162760   0.160904
+    0SOL     H2    2   0.001075  -0.224941   0.089235
+    0SOL     H3    3  -0.048666  -0.092413   0.142912
+    1SOL     O4    4  -0.011701   0.165771  -0.149933
+    1SOL     H5    5   0.077970   0.157990  -0.182504
+    1SOL     H6    6  -0.064800   0.119049  -0.214430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002559   0.171475   0.145998
+    0SOL     H2    2   0.043233   0.239555   0.199599
+    0SOL     H3    3   0.036988   0.186483   0.057954
+    1SOL     O4    4  -0.005940  -0.170487  -0.147371
+    1SOL     H5    5  -0.085995  -0.201487  -0.105033
+    1SOL     H6    6   0.058266  -0.239509  -0.130762
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.146992   0.093331  -0.145854
+    0SOL     H2    2   0.075807   0.044853  -0.187626
+    0SOL     H3    3   0.226608   0.058036  -0.185575
+    1SOL     O4    4  -0.141654  -0.093671   0.151039
+    1SOL     H5    5  -0.223457  -0.095303   0.200718
+    1SOL     H6    6  -0.152833  -0.021855   0.088751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059640  -0.225847  -0.004913
+    0SOL     H2    2  -0.041417  -0.144451   0.042043
+    0SOL     H3    3   0.020614  -0.243775  -0.053904
+    1SOL     O4    4   0.055951   0.226751   0.007208
+    1SOL     H5    5   0.042693   0.138659   0.042229
+    1SOL     H6    6   0.026901   0.221013  -0.083816
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042500   0.196835  -0.108412
+    0SOL     H2    2  -0.138219   0.196466  -0.108298
+    0SOL     H3    3  -0.018796   0.283553  -0.075543
+    1SOL     O4    4   0.041745  -0.199207   0.111945
+    1SOL     H5    5   0.097037  -0.277331   0.113274
+    1SOL     H6    6   0.056778  -0.160631   0.025641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065970   0.165359  -0.161168
+    0SOL     H2    2  -0.011749   0.201723  -0.231169
+    0SOL     H3    3  -0.083421   0.239589  -0.103308
+    1SOL     O4    4   0.059362  -0.170665   0.167746
+    1SOL     H5    5   0.057451  -0.124486   0.083924
+    1SOL     H6    6   0.131896  -0.232564   0.159395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003222  -0.239886   0.068452
+    0SOL     H2    2  -0.083748  -0.277669   0.055382
+    0SOL     H3    3   0.001344  -0.157765   0.019310
+    1SOL     O4    4   0.000214   0.243767  -0.065236
+    1SOL     H5    5  -0.052847   0.169043  -0.037611
+    1SOL     H6    6   0.084441   0.205574  -0.089922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101043   0.227918   0.027077
+    0SOL     H2    2  -0.107892   0.211942   0.121206
+    0SOL     H3    3  -0.111639   0.141529  -0.012760
+    1SOL     O4    4   0.104350  -0.218060  -0.025300
+    1SOL     H5    5   0.077170  -0.309691  -0.020082
+    1SOL     H6    6   0.091973  -0.194556  -0.117260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086977  -0.220179   0.078789
+    0SOL     H2    2  -0.159209  -0.258881   0.029322
+    0SOL     H3    3  -0.039061  -0.167987   0.014427
+    1SOL     O4    4   0.092399   0.213754  -0.072178
+    1SOL     H5    5   0.015869   0.227903  -0.127904
+    1SOL     H6    6   0.100261   0.294431  -0.021269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094876   0.190318  -0.119695
+    0SOL     H2    2  -0.133208   0.239917  -0.192034
+    0SOL     H3    3  -0.024641   0.246374  -0.086723
+    1SOL     O4    4   0.095089  -0.191129   0.117056
+    1SOL     H5    5   0.149840  -0.235440   0.181873
+    1SOL     H6    6   0.007303  -0.226375   0.131673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034622  -0.069981  -0.248456
+    0SOL     H2    2   0.110131  -0.077140  -0.306847
+    0SOL     H3    3  -0.029595  -0.131029  -0.284673
+    1SOL     O4    4  -0.039822   0.073271   0.259916
+    1SOL     H5    5  -0.052359   0.038176   0.171748
+    1SOL     H6    6   0.043710   0.119809   0.255568
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013261  -0.126935  -0.238962
+    0SOL     H2    2  -0.037064  -0.212821  -0.273879
+    0SOL     H3    3   0.052358  -0.145664  -0.171837
+    1SOL     O4    4   0.008924   0.132118   0.242521
+    1SOL     H5    5   0.084910   0.186422   0.221555
+    1SOL     H6    6  -0.027523   0.107943   0.157377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001267  -0.204489  -0.192797
+    0SOL     H2    2  -0.088868  -0.231420  -0.165172
+    0SOL     H3    3   0.055243  -0.277705  -0.168131
+    1SOL     O4    4   0.004009   0.211254   0.196247
+    1SOL     H5    5  -0.011413   0.129367   0.149141
+    1SOL     H6    6   0.003540   0.278551   0.128180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025914   0.300344  -0.011158
+    0SOL     H2    2  -0.002335   0.392819  -0.018552
+    0SOL     H3    3  -0.116972   0.296383  -0.040399
+    1SOL     O4    4   0.027486  -0.310810   0.017168
+    1SOL     H5    5  -0.014102  -0.224903   0.009910
+    1SOL     H6    6   0.102493  -0.306248  -0.042122
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.098338   0.240452  -0.167876
+    0SOL     H2    2   0.155224   0.210284  -0.238701
+    0SOL     H3    3   0.022731   0.278659  -0.212443
+    1SOL     O4    4  -0.090949  -0.244396   0.174796
+    1SOL     H5    5  -0.107778  -0.152903   0.152254
+    1SOL     H6    6  -0.176785  -0.279421   0.198624
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036242  -0.238114   0.211589
+    0SOL     H2    2  -0.092816  -0.271726   0.281101
+    0SOL     H3    3   0.035992  -0.195650   0.257864
+    1SOL     O4    4   0.039010   0.232621  -0.220753
+    1SOL     H5    5   0.050253   0.326496  -0.235698
+    1SOL     H6    6  -0.036686   0.226493  -0.162487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146955   0.284751  -0.098873
+    0SOL     H2    2  -0.235002   0.256756  -0.073849
+    0SOL     H3    3  -0.144402   0.273808  -0.193931
+    1SOL     O4    4   0.147159  -0.279940   0.098900
+    1SOL     H5    5   0.190156  -0.236712   0.172690
+    1SOL     H6    6   0.180549  -0.369626   0.100854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001596   0.302515   0.202169
+    0SOL     H2    2   0.011869   0.277226   0.293500
+    0SOL     H3    3   0.058741   0.247017   0.152754
+    1SOL     O4    4  -0.001260  -0.294677  -0.210176
+    1SOL     H5    5  -0.063665  -0.275710  -0.140118
+    1SOL     H6    6   0.042508  -0.375080  -0.182210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007179  -0.349590  -0.147969
+    0SOL     H2    2   0.013756  -0.267920  -0.102647
+    0SOL     H3    3  -0.000094  -0.327941  -0.240939
+    1SOL     O4    4   0.007442   0.343297   0.156757
+    1SOL     H5    5  -0.074497   0.317767   0.114371
+    1SOL     H6    6   0.059054   0.383567   0.086922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094516  -0.380566  -0.053248
+    0SOL     H2    2   0.064859  -0.465524  -0.020615
+    0SOL     H3    3   0.018976  -0.322855  -0.042045
+    1SOL     O4    4  -0.083890   0.384818   0.054376
+    1SOL     H5    5  -0.166825   0.424556   0.027822
+    1SOL     H6    6  -0.085597   0.297407   0.015405
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000391  -0.393274  -0.179626
+    0SOL     H2    2   0.038254  -0.310973  -0.148717
+    0SOL     H3    3   0.021198  -0.395681  -0.273026
+    1SOL     O4    4  -0.003965   0.383294   0.188131
+    1SOL     H5    5  -0.040657   0.471572   0.192932
+    1SOL     H6    6   0.033021   0.377437   0.100039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029735   0.107240   0.438981
+    0SOL     H2    2  -0.110149   0.112491   0.387325
+    0SOL     H3    3   0.016820   0.031604   0.403288
+    1SOL     O4    4   0.030375  -0.097215  -0.432599
+    1SOL     H5    5   0.114664  -0.136703  -0.454924
+    1SOL     H6    6  -0.032261  -0.169346  -0.438603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.114985   0.297577   0.335259
+    0SOL     H2    2   0.054757   0.267842   0.267062
+    0SOL     H3    3   0.163151   0.369791   0.294917
+    1SOL     O4    4  -0.113878  -0.297679  -0.322644
+    1SOL     H5    5  -0.102535  -0.243097  -0.400454
+    1SOL     H6    6  -0.131315  -0.385263  -0.357102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061199  -0.452446  -0.117492
+    0SOL     H2    2   0.119197  -0.468502  -0.191929
+    0SOL     H3    3   0.056869  -0.357074  -0.110577
+    1SOL     O4    4  -0.060972   0.441891   0.120627
+    1SOL     H5    5  -0.031751   0.519561   0.168333
+    1SOL     H6    6  -0.149296   0.463785   0.090930
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007033   0.410474   0.370969
+    0SOL     H2    2  -0.009107   0.319426   0.346228
+    0SOL     H3    3  -0.070950   0.436157   0.420175
+    1SOL     O4    4  -0.001863  -0.402560  -0.367099
+    1SOL     H5    5   0.069390  -0.452072  -0.407521
+    1SOL     H6    6  -0.079584  -0.426989  -0.417350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112875   0.630746   0.170290
+    0SOL     H2    2   0.111435   0.722309   0.198155
+    0SOL     H3    3   0.142244   0.633830   0.079239
+    1SOL     O4    4  -0.116151  -0.642039  -0.166482
+    1SOL     H5    5  -0.171633  -0.564610  -0.175902
+    1SOL     H6    6  -0.027451  -0.607102  -0.157878
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117774  -0.001136   0.038541
+    0SOL     H2    2   0.190896   0.060591   0.040817
+    0SOL     H3    3   0.099809  -0.020463   0.130552
+    1SOL     O4    4  -0.122979  -0.001601  -0.050979
+    1SOL     H5    5  -0.181989  -0.001929   0.024387
+    1SOL     H6    6  -0.035244   0.000393  -0.012756
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097451  -0.011747  -0.093333
+    0SOL     H2    2   0.086991  -0.105898  -0.107066
+    0SOL     H3    3   0.043069   0.007554  -0.016963
+    1SOL     O4    4  -0.088475   0.020756   0.089317
+    1SOL     H5    5  -0.084800  -0.069839   0.119999
+    1SOL     H6    6  -0.179701   0.033615   0.063342
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055231   0.096782  -0.058073
+    0SOL     H2    2   0.088341   0.171475  -0.008202
+    0SOL     H3    3   0.016896   0.135550  -0.136748
+    1SOL     O4    4  -0.051818  -0.108816   0.058701
+    1SOL     H5    5  -0.119144  -0.090889   0.124337
+    1SOL     H6    6  -0.038658  -0.025035   0.014318
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072086  -0.090147   0.073266
+    0SOL     H2    2  -0.020895  -0.020684   0.031835
+    0SOL     H3    3  -0.007432  -0.156490   0.097367
+    1SOL     O4    4   0.069092   0.085696  -0.068795
+    1SOL     H5    5   0.050160   0.088451  -0.162584
+    1SOL     H6    6   0.023270   0.161647  -0.032821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062311  -0.031818  -0.106437
+    0SOL     H2    2   0.091909  -0.122253  -0.116819
+    0SOL     H3    3   0.132339   0.020915  -0.144876
+    1SOL     O4    4  -0.066579   0.037693   0.115077
+    1SOL     H5    5  -0.151398   0.006121   0.083914
+    1SOL     H6    6  -0.004202   0.008488   0.048605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084927   0.013960   0.109501
+    0SOL     H2    2  -0.043756   0.025140   0.023814
+    0SOL     H3    3  -0.011620   0.003776   0.170203
+    1SOL     O4    4   0.076178  -0.008645  -0.104954
+    1SOL     H5    5   0.134587  -0.015559  -0.180472
+    1SOL     H6    6   0.053294  -0.099183  -0.083945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124260  -0.060198  -0.010399
+    0SOL     H2    2   0.118850  -0.107473   0.072655
+    0SOL     H3    3   0.041269  -0.012899  -0.016541
+    1SOL     O4    4  -0.115294   0.055522   0.006704
+    1SOL     H5    5  -0.112081   0.126878  -0.057016
+    1SOL     H6    6  -0.194342   0.072611   0.057906
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040418   0.123293  -0.011350
+    0SOL     H2    2  -0.086736   0.152386  -0.089903
+    0SOL     H3    3  -0.105464   0.129610   0.058588
+    1SOL     O4    4   0.051229  -0.126710   0.017082
+    1SOL     H5    5   0.025246  -0.193054  -0.046838
+    1SOL     H6    6   0.011279  -0.045762  -0.014757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071107   0.117281  -0.023945
+    0SOL     H2    2  -0.025825   0.034281  -0.009018
+    0SOL     H3    3  -0.064729   0.163471   0.059651
+    1SOL     O4    4   0.066529  -0.110609   0.022486
+    1SOL     H5    5   0.016700  -0.189183   0.000003
+    1SOL     H6    6   0.144658  -0.115150  -0.032628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039054  -0.059748  -0.121929
+    0SOL     H2    2  -0.015065   0.014533  -0.066529
+    0SOL     H3    3   0.021901  -0.129127  -0.096763
+    1SOL     O4    4   0.032399   0.057471   0.110410
+    1SOL     H5    5   0.011854   0.139356   0.155522
+    1SOL     H6    6   0.079197   0.005259   0.175572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038105   0.113668  -0.055941
+    0SOL     H2    2  -0.004634   0.101040  -0.140654
+    0SOL     H3    3   0.017392   0.203957  -0.031833
+    1SOL     O4    4  -0.041099  -0.118211   0.061901
+    1SOL     H5    5   0.026438  -0.184381   0.076821
+    1SOL     H6    6   0.002206  -0.051226   0.008986
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044305  -0.094003  -0.098951
+    0SOL     H2    2   0.054477  -0.020273  -0.038762
+    0SOL     H3    3  -0.049822  -0.111367  -0.099938
+    1SOL     O4    4  -0.034183   0.085375   0.095521
+    1SOL     H5    5  -0.022874   0.179523   0.082461
+    1SOL     H6    6  -0.128882   0.073327   0.102554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059355  -0.108216   0.063042
+    0SOL     H2    2   0.038148  -0.200036   0.046257
+    0SOL     H3    3  -0.011286  -0.059194   0.020983
+    1SOL     O4    4  -0.047946   0.109406  -0.057307
+    1SOL     H5    5  -0.082530   0.074922  -0.139630
+    1SOL     H6    6  -0.119829   0.161022  -0.020826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022174  -0.064585   0.123781
+    0SOL     H2    2   0.021317  -0.011559   0.044095
+    0SOL     H3    3  -0.031255  -0.015245   0.186016
+    1SOL     O4    4  -0.013619   0.059920  -0.118638
+    1SOL     H5    5  -0.027420  -0.004236  -0.188322
+    1SOL     H6    6  -0.094480   0.111108  -0.116784
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.130151   0.043732   0.033014
+    0SOL     H2    2   0.197196  -0.015850  -0.000409
+    0SOL     H3    3   0.048032  -0.004372   0.022771
+    1SOL     O4    4  -0.125157  -0.038757  -0.024924
+    1SOL     H5    5  -0.152195  -0.095352  -0.097232
+    1SOL     H6    6  -0.164628   0.046140  -0.044844
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018907   0.119143  -0.075069
+    0SOL     H2    2  -0.018243   0.108801  -0.162678
+    0SOL     H3    3   0.012712   0.032009  -0.035936
+    1SOL     O4    4  -0.017214  -0.107600   0.073541
+    1SOL     H5    5   0.060826  -0.162450   0.081514
+    1SOL     H6    6  -0.076960  -0.140999   0.140453
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018502  -0.076778  -0.114050
+    0SOL     H2    2  -0.067416  -0.115504  -0.097293
+    0SOL     H3    3   0.079261  -0.130062  -0.062752
+    1SOL     O4    4  -0.017192   0.080002   0.116198
+    1SOL     H5    5  -0.007616   0.028855   0.035857
+    1SOL     H6    6  -0.026026   0.170454   0.086154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042704   0.111364  -0.064393
+    0SOL     H2    2   0.020040   0.183204  -0.072426
+    0SOL     H3    3  -0.111772   0.146026  -0.007908
+    1SOL     O4    4   0.046360  -0.113064   0.065710
+    1SOL     H5    5   0.048863  -0.208741   0.067123
+    1SOL     H6    6  -0.016033  -0.091712  -0.003669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021390  -0.129832  -0.024431
+    0SOL     H2    2  -0.012353  -0.195879  -0.084942
+    0SOL     H3    3   0.116563  -0.136999  -0.031719
+    1SOL     O4    4  -0.022142   0.135666   0.034264
+    1SOL     H5    5  -0.006870   0.055768  -0.016188
+    1SOL     H6    6  -0.083887   0.186079  -0.018731
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130057   0.016466   0.062548
+    0SOL     H2    2  -0.143651  -0.050251  -0.004730
+    0SOL     H3    3  -0.038025   0.041200   0.053568
+    1SOL     O4    4   0.120240  -0.017545  -0.061490
+    1SOL     H5    5   0.188887   0.031028  -0.107213
+    1SOL     H6    6   0.144085  -0.011463   0.031013
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088897  -0.055983  -0.100516
+    0SOL     H2    2   0.036006  -0.084748  -0.174930
+    0SOL     H3    3   0.025047  -0.035159  -0.032312
+    1SOL     O4    4  -0.082412   0.059452   0.094479
+    1SOL     H5    5  -0.150329   0.008383   0.138542
+    1SOL     H6    6  -0.008411   0.058396   0.155184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026030  -0.009500  -0.138095
+    0SOL     H2    2   0.071705  -0.092413  -0.123897
+    0SOL     H3    3   0.095961   0.055389  -0.145928
+    1SOL     O4    4  -0.030896   0.016566   0.140908
+    1SOL     H5    5  -0.091720  -0.050396   0.172194
+    1SOL     H6    6   0.000015  -0.016595   0.056604
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117440  -0.074166  -0.013531
+    0SOL     H2    2   0.079110  -0.161727  -0.018648
+    0SOL     H3    3   0.154243  -0.058955  -0.100575
+    1SOL     O4    4  -0.123560   0.077688   0.019847
+    1SOL     H5    5  -0.054614   0.011290   0.019524
+    1SOL     H6    6  -0.078445   0.159238  -0.001984
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014837   0.069097   0.119639
+    0SOL     H2    2  -0.107225   0.062955   0.143908
+    0SOL     H3    3   0.030746   0.016220   0.185126
+    1SOL     O4    4   0.015058  -0.066333  -0.131249
+    1SOL     H5    5  -0.010830  -0.003111  -0.064204
+    1SOL     H6    6   0.087524  -0.114847  -0.091783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063021   0.041986   0.119247
+    0SOL     H2    2   0.000686  -0.009668   0.168598
+    0SOL     H3    3  -0.034361   0.132611   0.130556
+    1SOL     O4    4   0.059280  -0.040117  -0.128166
+    1SOL     H5    5   0.085646  -0.131661  -0.118845
+    1SOL     H6    6   0.013369  -0.019945  -0.046633
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009837  -0.040538  -0.132495
+    0SOL     H2    2  -0.050175  -0.114797  -0.177447
+    0SOL     H3    3  -0.070961   0.031852  -0.146130
+    1SOL     O4    4   0.011433   0.038383   0.140378
+    1SOL     H5    5   0.080874   0.102763   0.154357
+    1SOL     H6    6   0.020304   0.013085   0.048489
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004558  -0.047586  -0.137932
+    0SOL     H2    2   0.017346  -0.021413  -0.048503
+    0SOL     H3    3   0.080045  -0.064462  -0.179403
+    1SOL     O4    4  -0.000603   0.046422   0.128473
+    1SOL     H5    5  -0.012192  -0.021031   0.195392
+    1SOL     H6    6  -0.009153   0.129079   0.175983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019699   0.144605   0.028851
+    0SOL     H2    2  -0.112255   0.150330   0.005123
+    0SOL     H3    3  -0.000543   0.050823   0.028315
+    1SOL     O4    4   0.022572  -0.137090  -0.021303
+    1SOL     H5    5  -0.036826  -0.171409  -0.088059
+    1SOL     H6    6   0.109454  -0.143327  -0.060990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083031   0.123677  -0.009538
+    0SOL     H2    2  -0.148915   0.095361  -0.072939
+    0SOL     H3    3  -0.020862   0.051009  -0.005454
+    1SOL     O4    4   0.083909  -0.110743   0.014450
+    1SOL     H5    5   0.128427  -0.165939  -0.049845
+    1SOL     H6    6   0.023911  -0.170107   0.059599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099886   0.096401  -0.055395
+    0SOL     H2    2   0.156381   0.122506   0.017332
+    0SOL     H3    3   0.028198   0.048314  -0.014033
+    1SOL     O4    4  -0.097933  -0.091908   0.054847
+    1SOL     H5    5  -0.066971  -0.178255   0.027500
+    1SOL     H6    6  -0.145396  -0.058252  -0.021158
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073760   0.112064  -0.065480
+    0SOL     H2    2  -0.065681   0.188456  -0.008371
+    0SOL     H3    3  -0.032249   0.041030  -0.016558
+    1SOL     O4    4   0.071894  -0.105413   0.059201
+    1SOL     H5    5   0.006735  -0.151638   0.111924
+    1SOL     H6    6   0.115843  -0.174389   0.009471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118166  -0.062546   0.052973
+    0SOL     H2    2  -0.085646  -0.142341   0.094657
+    0SOL     H3    3  -0.133333  -0.002020   0.125561
+    1SOL     O4    4   0.116786   0.071654  -0.058662
+    1SOL     H5    5   0.048139   0.008254  -0.037917
+    1SOL     H6    6   0.191151   0.018236  -0.086568
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123467  -0.074007   0.000281
+    0SOL     H2    2   0.080539  -0.159541   0.002149
+    0SOL     H3    3   0.170523  -0.072588  -0.083062
+    1SOL     O4    4  -0.123407   0.083098  -0.000150
+    1SOL     H5    5  -0.060437   0.012040   0.012011
+    1SOL     H6    6  -0.189077   0.068900   0.068028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070040  -0.016971   0.128369
+    0SOL     H2    2   0.023773  -0.100766   0.128519
+    0SOL     H3    3   0.157082  -0.037678   0.094351
+    1SOL     O4    4  -0.073413   0.016256  -0.129022
+    1SOL     H5    5  -0.041686   0.041050  -0.042183
+    1SOL     H6    6  -0.073235   0.097971  -0.178871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037662   0.075852   0.117006
+    0SOL     H2    2  -0.014311   0.066510   0.196843
+    0SOL     H3    3   0.013410   0.161780   0.082500
+    1SOL     O4    4  -0.039585  -0.080295  -0.119695
+    1SOL     H5    5   0.024105  -0.024323  -0.075276
+    1SOL     H6    6   0.013507  -0.145836  -0.164949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030898   0.133178  -0.040948
+    0SOL     H2    2   0.006679   0.194593  -0.104023
+    0SOL     H3    3  -0.038000   0.183455   0.040195
+    1SOL     O4    4   0.033252  -0.143898   0.036154
+    1SOL     H5    5  -0.004848  -0.061626   0.005461
+    1SOL     H6    6   0.003078  -0.152039   0.126628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113179   0.012476  -0.093373
+    0SOL     H2    2  -0.045320   0.029086  -0.158807
+    0SOL     H3    3  -0.178125   0.081217  -0.108169
+    1SOL     O4    4   0.118741  -0.013820   0.099872
+    1SOL     H5    5   0.047393   0.010423   0.040845
+    1SOL     H6    6   0.097457  -0.102815   0.127964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015082   0.132717   0.081890
+    0SOL     H2    2   0.014762   0.167959  -0.001953
+    0SOL     H3    3  -0.021998   0.038388   0.067177
+    1SOL     O4    4   0.013913  -0.123001  -0.078350
+    1SOL     H5    5   0.083524  -0.176835  -0.040686
+    1SOL     H6    6  -0.062969  -0.180023  -0.078749
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046479  -0.015510   0.147773
+    0SOL     H2    2  -0.086616  -0.102400   0.146583
+    0SOL     H3    3  -0.018143  -0.000926   0.057514
+    1SOL     O4    4   0.043161   0.020614  -0.135795
+    1SOL     H5    5   0.040587  -0.047608  -0.202888
+    1SOL     H6    6   0.110820   0.081288  -0.165847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019055   0.143310   0.018034
+    0SOL     H2    2   0.031158   0.209686   0.065311
+    0SOL     H3    3  -0.110194   0.161109   0.041254
+    1SOL     O4    4   0.022267  -0.152128  -0.016319
+    1SOL     H5    5   0.034118  -0.057193  -0.019334
+    1SOL     H6    6   0.001129  -0.176548  -0.106426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058255   0.132895   0.036328
+    0SOL     H2    2  -0.109844   0.081844  -0.026080
+    0SOL     H3    3  -0.120622   0.195080   0.073822
+    1SOL     O4    4   0.069143  -0.138583  -0.036492
+    1SOL     H5    5   0.072809  -0.047458  -0.065563
+    1SOL     H6    6  -0.006708  -0.142148   0.021785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022415  -0.088257   0.122385
+    0SOL     H2    2  -0.073281  -0.086291   0.123290
+    0SOL     H3    3   0.048022  -0.048556   0.205635
+    1SOL     O4    4  -0.017914   0.083700  -0.133350
+    1SOL     H5    5   0.039919   0.055075  -0.062651
+    1SOL     H6    6  -0.076041   0.147756  -0.092357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127996   0.078466   0.050224
+    0SOL     H2    2   0.067342   0.146681   0.021414
+    0SOL     H3    3   0.097756   0.054951   0.137945
+    1SOL     O4    4  -0.127373  -0.078614  -0.050319
+    1SOL     H5    5  -0.034823  -0.088545  -0.027999
+    1SOL     H6    6  -0.134433  -0.113132  -0.139319
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139376  -0.038198  -0.076445
+    0SOL     H2    2  -0.111716   0.023812  -0.143913
+    0SOL     H3    3  -0.070546  -0.033736  -0.010077
+    1SOL     O4    4   0.132537   0.038637   0.071448
+    1SOL     H5    5   0.087451   0.040687   0.155860
+    1SOL     H6    6   0.184507  -0.041708   0.073945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031057  -0.158359   0.031362
+    0SOL     H2    2  -0.068830  -0.090267  -0.024308
+    0SOL     H3    3  -0.048359  -0.128655   0.120697
+    1SOL     O4    4   0.041217   0.152928  -0.034586
+    1SOL     H5    5  -0.003021   0.166021   0.049282
+    1SOL     H6    6  -0.029041   0.130172  -0.095483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006728   0.160552  -0.007621
+    0SOL     H2    2   0.055771   0.172276  -0.088982
+    0SOL     H3    3  -0.083620   0.146387  -0.035888
+    1SOL     O4    4  -0.002110  -0.157614   0.020236
+    1SOL     H5    5  -0.048875  -0.114763  -0.051451
+    1SOL     H6    6   0.006002  -0.248853  -0.007549
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099506  -0.097625   0.078960
+    0SOL     H2    2   0.097893  -0.101133   0.174602
+    0SOL     H3    3   0.019652  -0.142959   0.051933
+    1SOL     O4    4  -0.095173   0.106646  -0.084813
+    1SOL     H5    5  -0.155099   0.033420  -0.099275
+    1SOL     H6    6  -0.019379   0.067427  -0.041460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060849  -0.038288   0.151993
+    0SOL     H2    2  -0.105143  -0.122942   0.157824
+    0SOL     H3    3  -0.032251  -0.032395   0.060835
+    1SOL     O4    4   0.062800   0.044930  -0.141044
+    1SOL     H5    5   0.111811   0.064534  -0.220894
+    1SOL     H6    6  -0.004391  -0.017336  -0.168803
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078658   0.096235   0.114903
+    0SOL     H2    2  -0.028874   0.028901   0.068535
+    0SOL     H3    3  -0.167946   0.061918   0.118413
+    1SOL     O4    4   0.077636  -0.093865  -0.107416
+    1SOL     H5    5   0.148143  -0.029474  -0.100711
+    1SOL     H6    6   0.066396  -0.107435  -0.201500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082979   0.132953   0.046684
+    0SOL     H2    2  -0.172566   0.134464   0.080361
+    0SOL     H3    3  -0.092469   0.147604  -0.047431
+    1SOL     O4    4   0.083119  -0.136239  -0.046358
+    1SOL     H5    5   0.091524  -0.083950   0.033377
+    1SOL     H6    6   0.173306  -0.152629  -0.073926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069656  -0.116878  -0.091913
+    0SOL     H2    2   0.031463  -0.186292  -0.145628
+    0SOL     H3    3   0.119596  -0.163268  -0.024709
+    1SOL     O4    4  -0.069117   0.126974   0.085577
+    1SOL     H5    5  -0.061938   0.033228   0.103535
+    1SOL     H6    6  -0.101347   0.164691   0.167437
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.160868  -0.047272  -0.035415
+    0SOL     H2    2   0.199437  -0.062615  -0.121667
+    0SOL     H3    3   0.083785  -0.103976  -0.033164
+    1SOL     O4    4  -0.157380   0.046232   0.036098
+    1SOL     H5    5  -0.243122   0.082384   0.058539
+    1SOL     H6    6  -0.095155   0.099578   0.085540
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061011   0.116282   0.113690
+    0SOL     H2    2   0.026002   0.070968   0.036986
+    0SOL     H3    3   0.050549   0.209259   0.093486
+    1SOL     O4    4  -0.057551  -0.124553  -0.105362
+    1SOL     H5    5  -0.111782  -0.051846  -0.074786
+    1SOL     H6    6  -0.025213  -0.096082  -0.190838
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007376   0.128193   0.105978
+    0SOL     H2    2  -0.009997   0.144315   0.200294
+    0SOL     H3    3  -0.077736   0.182463   0.070390
+    1SOL     O4    4   0.012115  -0.135617  -0.104266
+    1SOL     H5    5   0.083001  -0.125137  -0.167730
+    1SOL     H6    6  -0.060937  -0.086234  -0.141509
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.114511  -0.111857   0.076525
+    0SOL     H2    2   0.081130  -0.132784  -0.010711
+    0SOL     H3    3   0.036124  -0.103177   0.130770
+    1SOL     O4    4  -0.109348   0.114534  -0.068542
+    1SOL     H5    5  -0.168234   0.087482  -0.138990
+    1SOL     H6    6  -0.021690   0.106634  -0.106172
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039445  -0.093917  -0.137231
+    0SOL     H2    2   0.005344  -0.144809  -0.063682
+    0SOL     H3    3   0.089372  -0.157070  -0.189013
+    1SOL     O4    4  -0.037111   0.094875   0.139222
+    1SOL     H5    5  -0.113653   0.143601   0.169706
+    1SOL     H6    6  -0.012808   0.137367   0.056966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061052   0.152462  -0.084833
+    0SOL     H2    2   0.021447   0.105919  -0.098620
+    0SOL     H3    3  -0.112571   0.094024  -0.029217
+    1SOL     O4    4   0.054900  -0.151298   0.081548
+    1SOL     H5    5   0.092120  -0.095882   0.012947
+    1SOL     H6    6   0.096221  -0.120601   0.162249
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062519  -0.003917   0.174256
+    0SOL     H2    2  -0.002445  -0.061496   0.133924
+    0SOL     H3    3   0.136781  -0.061204   0.193379
+    1SOL     O4    4  -0.057872   0.008196  -0.177047
+    1SOL     H5    5  -0.098167   0.094999  -0.179011
+    1SOL     H6    6  -0.102638  -0.037437  -0.105801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034557  -0.019811  -0.187000
+    0SOL     H2    2  -0.115707   0.029393  -0.174505
+    0SOL     H3    3  -0.056934  -0.109610  -0.162551
+    1SOL     O4    4   0.037439   0.016470   0.184068
+    1SOL     H5    5   0.047763   0.071090   0.261994
+    1SOL     H6    6   0.082908   0.064519   0.114886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023200   0.106602  -0.151371
+    0SOL     H2    2   0.064267   0.174644  -0.098023
+    0SOL     H3    3   0.025792   0.141217  -0.240576
+    1SOL     O4    4  -0.023784  -0.110871   0.159921
+    1SOL     H5    5  -0.084647  -0.180093   0.134107
+    1SOL     H6    6   0.004476  -0.071714   0.077275
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.191528   0.046472   0.025515
+    0SOL     H2    2  -0.196514  -0.039745   0.066796
+    0SOL     H3    3  -0.276751   0.086404   0.042973
+    1SOL     O4    4   0.191948  -0.042914  -0.025205
+    1SOL     H5    5   0.284616  -0.030861  -0.004478
+    1SOL     H6    6   0.191552  -0.075968  -0.115037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140209   0.097150  -0.110933
+    0SOL     H2    2  -0.091913   0.014741  -0.104724
+    0SOL     H3    3  -0.212259   0.078271  -0.171055
+    1SOL     O4    4   0.136109  -0.091053   0.109973
+    1SOL     H5    5   0.142414  -0.070304   0.203204
+    1SOL     H6    6   0.222545  -0.125226   0.087094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007325   0.122194  -0.169613
+    0SOL     H2    2   0.032791   0.122276  -0.082705
+    0SOL     H3    3  -0.101080   0.112797  -0.152759
+    1SOL     O4    4   0.006533  -0.116554   0.165887
+    1SOL     H5    5   0.020967  -0.201903   0.206748
+    1SOL     H6    6   0.060157  -0.118517   0.086623
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059729   0.068279   0.194082
+    0SOL     H2    2  -0.015359   0.089634   0.138692
+    0SOL     H3    3   0.103425  -0.003704   0.148569
+    1SOL     O4    4  -0.058884  -0.071683  -0.188411
+    1SOL     H5    5  -0.015252  -0.019542  -0.255789
+    1SOL     H6    6  -0.088257  -0.007549  -0.123708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028811   0.076133   0.189896
+    0SOL     H2    2   0.116763   0.107038   0.168183
+    0SOL     H3    3   0.035220   0.047599   0.281039
+    1SOL     O4    4  -0.032596  -0.074571  -0.199698
+    1SOL     H5    5  -0.029928  -0.159843  -0.156293
+    1SOL     H6    6  -0.061910  -0.013930  -0.131686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046826   0.184513  -0.102872
+    0SOL     H2    2   0.032202   0.208532  -0.054499
+    0SOL     H3    3  -0.024187   0.199304  -0.194692
+    1SOL     O4    4   0.037393  -0.181258   0.106314
+    1SOL     H5    5   0.036534  -0.236065   0.027843
+    1SOL     H6    6   0.098862  -0.224834   0.165349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122145  -0.168121  -0.101547
+    0SOL     H2    2   0.102034  -0.157986  -0.008514
+    0SOL     H3    3   0.038032  -0.156384  -0.145701
+    1SOL     O4    4  -0.116420   0.169187   0.092439
+    1SOL     H5    5  -0.060207   0.098823   0.124863
+    1SOL     H6    6  -0.166474   0.197165   0.169082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034777   0.219544  -0.062217
+    0SOL     H2    2   0.023071   0.151066  -0.095783
+    0SOL     H3    3  -0.101198   0.230348  -0.130290
+    1SOL     O4    4   0.039784  -0.213893   0.070800
+    1SOL     H5    5  -0.052552  -0.202417   0.093263
+    1SOL     H6    6   0.038894  -0.271284  -0.005802
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029327  -0.162179  -0.180211
+    0SOL     H2    2   0.105012  -0.139289  -0.126266
+    0SOL     H3    3  -0.042113  -0.109002  -0.145128
+    1SOL     O4    4  -0.028316   0.152486   0.170574
+    1SOL     H5    5  -0.074328   0.233740   0.149527
+    1SOL     H6    6  -0.006605   0.160566   0.263449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051012  -0.242118  -0.025671
+    0SOL     H2    2   0.039149  -0.226687   0.002529
+    0SOL     H3    3  -0.092655  -0.156054  -0.021085
+    1SOL     O4    4   0.043967   0.230335   0.023460
+    1SOL     H5    5   0.137230   0.234284   0.002273
+    1SOL     H6    6   0.021282   0.319836   0.048706
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078025   0.066326  -0.231165
+    0SOL     H2    2   0.090183   0.161271  -0.231026
+    0SOL     H3    3   0.064646   0.043980  -0.323274
+    1SOL     O4    4  -0.078262  -0.068574   0.229560
+    1SOL     H5    5  -0.001484  -0.102686   0.275428
+    1SOL     H6    6  -0.146079  -0.063316   0.296905
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133424  -0.107019   0.192003
+    0SOL     H2    2  -0.170025  -0.084341   0.106514
+    0SOL     H3    3  -0.209860  -0.122963   0.247370
+    1SOL     O4    4   0.136874   0.111668  -0.192080
+    1SOL     H5    5   0.231955   0.109809  -0.181188
+    1SOL     H6    6   0.108133   0.023856  -0.167074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080999  -0.165490   0.188983
+    0SOL     H2    2  -0.066178  -0.259468   0.178457
+    0SOL     H3    3  -0.173626  -0.153320   0.168140
+    1SOL     O4    4   0.087848   0.167057  -0.181460
+    1SOL     H5    5   0.035885   0.125015  -0.249977
+    1SOL     H6    6   0.095295   0.258261  -0.209544
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037895   0.273049   0.013295
+    0SOL     H2    2   0.016319   0.287329  -0.078862
+    0SOL     H3    3   0.089869   0.192669   0.013598
+    1SOL     O4    4  -0.038538  -0.263160  -0.011658
+    1SOL     H5    5  -0.117945  -0.288193   0.035568
+    1SOL     H6    6   0.022503  -0.335174   0.004166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062673   0.262013  -0.027084
+    0SOL     H2    2  -0.154205   0.243177  -0.047804
+    0SOL     H3    3  -0.045391   0.346247  -0.069134
+    1SOL     O4    4   0.065094  -0.272266   0.032918
+    1SOL     H5    5   0.054382  -0.190468   0.081464
+    1SOL     H6    6   0.109081  -0.246506  -0.048100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042795  -0.147482   0.237182
+    0SOL     H2    2   0.076480  -0.078589   0.179900
+    0SOL     H3    3  -0.046606  -0.162616   0.206510
+    1SOL     O4    4  -0.038098   0.144094  -0.238407
+    1SOL     H5    5  -0.101737   0.090714  -0.190836
+    1SOL     H6    6  -0.008628   0.208960  -0.174484
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022659   0.213609  -0.168899
+    0SOL     H2    2   0.081238   0.240300  -0.239740
+    0SOL     H3    3  -0.040747   0.284986  -0.162010
+    1SOL     O4    4  -0.028693  -0.219489   0.169001
+    1SOL     H5    5  -0.006312  -0.257372   0.254008
+    1SOL     H6    6   0.051603  -0.176080   0.140182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018453   0.259786  -0.118063
+    0SOL     H2    2   0.063925   0.306922  -0.105640
+    0SOL     H3    3  -0.073782   0.320649  -0.167019
+    1SOL     O4    4   0.014757  -0.271114   0.116424
+    1SOL     H5    5  -0.039418  -0.210180   0.166568
+    1SOL     H6    6   0.104424  -0.240775   0.130621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045651  -0.181691   0.247404
+    0SOL     H2    2  -0.049810  -0.182578   0.240434
+    0SOL     H3    3   0.076380  -0.188992   0.157045
+    1SOL     O4    4  -0.039998   0.187291  -0.244625
+    1SOL     H5    5  -0.129066   0.170096  -0.214070
+    1SOL     H6    6   0.009240   0.108857  -0.220418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082503   0.256735  -0.157156
+    0SOL     H2    2  -0.111840   0.200124  -0.228548
+    0SOL     H3    3  -0.073808   0.343258  -0.197162
+    1SOL     O4    4   0.085380  -0.259320   0.169979
+    1SOL     H5    5   0.052944  -0.178319   0.130621
+    1SOL     H6    6   0.087059  -0.322105   0.097745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116077   0.243886  -0.203017
+    0SOL     H2    2   0.125356   0.334785  -0.231542
+    0SOL     H3    3   0.125812   0.192468  -0.283165
+    1SOL     O4    4  -0.117391  -0.241580   0.213828
+    1SOL     H5    5  -0.047756  -0.304116   0.193764
+    1SOL     H6    6  -0.182071  -0.254619   0.144482
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122643   0.328441   0.119063
+    0SOL     H2    2  -0.218078   0.335799   0.119491
+    0SOL     H3    3  -0.102825   0.269080   0.191491
+    1SOL     O4    4   0.129666  -0.331874  -0.122642
+    1SOL     H5    5   0.158301  -0.255416  -0.172607
+    1SOL     H6    6   0.051695  -0.302094  -0.075781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.190846   0.083988   0.350231
+    0SOL     H2    2  -0.147633   0.012326   0.303759
+    0SOL     H3    3  -0.146233   0.162892   0.319471
+    1SOL     O4    4   0.183168  -0.078720  -0.345010
+    1SOL     H5    5   0.250509  -0.097612  -0.410361
+    1SOL     H6    6   0.169488  -0.162015  -0.299876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036247   0.388808   0.112403
+    0SOL     H2    2   0.034938   0.330282   0.138282
+    0SOL     H3    3  -0.028495   0.463649   0.171572
+    1SOL     O4    4   0.029180  -0.395407  -0.115889
+    1SOL     H5    5   0.087648  -0.337803  -0.066639
+    1SOL     H6    6   0.008139  -0.346120  -0.195201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007275  -0.424751  -0.157752
+    0SOL     H2    2  -0.018830  -0.455637  -0.067892
+    0SOL     H3    3   0.019394  -0.333293  -0.148450
+    1SOL     O4    4   0.011607   0.423736   0.155171
+    1SOL     H5    5  -0.009141   0.426974   0.061783
+    1SOL     H6    6  -0.061819   0.376530   0.194446
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.146787  -0.368681   0.237818
+    0SOL     H2    2   0.054745  -0.390711   0.252142
+    0SOL     H3    3   0.190746  -0.453324   0.229731
+    1SOL     O4    4  -0.144925   0.381182  -0.236401
+    1SOL     H5    5  -0.183493   0.336024  -0.311471
+    1SOL     H6    6  -0.088761   0.315546  -0.195173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048476   0.274103  -0.381861
+    0SOL     H2    2  -0.026378   0.255632  -0.473145
+    0SOL     H3    3  -0.143707   0.283767  -0.381705
+    1SOL     O4    4   0.054371  -0.277516   0.391718
+    1SOL     H5    5  -0.028299  -0.229779   0.384713
+    1SOL     H6    6   0.101707  -0.255434   0.311505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135583   0.116634   0.486683
+    0SOL     H2    2  -0.158572   0.156180   0.570766
+    0SOL     H3    3  -0.047313   0.148807   0.468364
+    1SOL     O4    4   0.128451  -0.126114  -0.490179
+    1SOL     H5    5   0.097123  -0.038441  -0.512416
+    1SOL     H6    6   0.221089  -0.113939  -0.469387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035521   0.466840  -0.249165
+    0SOL     H2    2  -0.037755   0.432409  -0.198102
+    0SOL     H3    3   0.003889   0.466897  -0.339507
+    1SOL     O4    4  -0.029343  -0.459692   0.255230
+    1SOL     H5    5   0.043437  -0.511871   0.221427
+    1SOL     H6    6  -0.107458  -0.500249   0.217607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002322  -0.488347  -0.373041
+    0SOL     H2    2  -0.082331  -0.460967  -0.408347
+    0SOL     H3    3   0.057466  -0.410394  -0.379740
+    1SOL     O4    4  -0.000872   0.481585   0.368444
+    1SOL     H5    5  -0.063458   0.450557   0.433886
+    1SOL     H6    6   0.063994   0.530839   0.418730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021867  -0.103257   0.054475
+    0SOL     H2    2   0.043436  -0.143598   0.111663
+    0SOL     H3    3  -0.101745  -0.100923   0.107166
+    1SOL     O4    4   0.020988   0.110801  -0.057214
+    1SOL     H5    5   0.062564   0.115892  -0.143283
+    1SOL     H6    6   0.011310   0.017006  -0.040746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016451   0.016625   0.123973
+    0SOL     H2    2  -0.024030   0.062173   0.197790
+    0SOL     H3    3   0.052823  -0.063283   0.162106
+    1SOL     O4    4  -0.022201  -0.016825  -0.132951
+    1SOL     H5    5   0.001412  -0.008333  -0.040579
+    1SOL     H6    6   0.056319   0.010478  -0.180401
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035758   0.093724  -0.093003
+    0SOL     H2    2   0.000896   0.048079  -0.169577
+    0SOL     H3    3   0.015640   0.035934  -0.019397
+    1SOL     O4    4  -0.029598  -0.082186   0.090082
+    1SOL     H5    5   0.016118  -0.162521   0.114955
+    1SOL     H6    6  -0.120650  -0.097610   0.115262
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088654   0.075579   0.070665
+    0SOL     H2    2   0.033254   0.019448   0.016421
+    0SOL     H3    3   0.166285   0.022537   0.088616
+    1SOL     O4    4  -0.089098  -0.067398  -0.061519
+    1SOL     H5    5  -0.062927  -0.148041  -0.105949
+    1SOL     H6    6  -0.124853  -0.012199  -0.131067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012168  -0.075598  -0.108234
+    0SOL     H2    2   0.073186  -0.118003  -0.099360
+    0SOL     H3    3   0.000183  -0.011149  -0.177921
+    1SOL     O4    4   0.011198   0.072716   0.117020
+    1SOL     H5    5  -0.056596   0.140290   0.116977
+    1SOL     H6    6  -0.002659   0.024767   0.035343
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023901   0.052776  -0.115744
+    0SOL     H2    2   0.008938  -0.002355  -0.192548
+    0SOL     H3    3   0.103218   0.102096  -0.136690
+    1SOL     O4    4  -0.033215  -0.053660   0.124580
+    1SOL     H5    5   0.051223  -0.049005   0.169424
+    1SOL     H6    6  -0.013044  -0.033264   0.033259
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101046   0.080753  -0.028236
+    0SOL     H2    2   0.126764   0.053812  -0.116413
+    0SOL     H3    3   0.072879   0.171692  -0.038185
+    1SOL     O4    4  -0.107376  -0.081618   0.033963
+    1SOL     H5    5  -0.078145  -0.171873   0.046687
+    1SOL     H6    6  -0.026859  -0.032307   0.018226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042985   0.058003  -0.123476
+    0SOL     H2    2  -0.025205   0.135222  -0.069780
+    0SOL     H3    3  -0.032854  -0.015840  -0.063419
+    1SOL     O4    4   0.035236  -0.058046   0.115805
+    1SOL     H5    5   0.091881   0.016701   0.134953
+    1SOL     H6    6   0.094746  -0.132927   0.112095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042864   0.096867   0.089363
+    0SOL     H2    2   0.000467   0.012207   0.075307
+    0SOL     H3    3  -0.009111   0.138627   0.158043
+    1SOL     O4    4  -0.036792  -0.094943  -0.085555
+    1SOL     H5    5   0.022864  -0.121692  -0.155469
+    1SOL     H6    6  -0.110326  -0.053968  -0.131119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077236   0.004484   0.105156
+    0SOL     H2    2   0.068161  -0.027169   0.195034
+    0SOL     H3    3   0.171750   0.008420   0.090527
+    1SOL     O4    4  -0.085332  -0.008004  -0.112371
+    1SOL     H5    5  -0.018520  -0.008639  -0.043829
+    1SOL     H6    6  -0.097879   0.084665  -0.132798
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.049152  -0.116611  -0.050804
+    0SOL     H2    2   0.056110  -0.105526  -0.145625
+    0SOL     H3    3   0.130511  -0.079828  -0.016307
+    1SOL     O4    4  -0.060500   0.116884   0.054299
+    1SOL     H5    5  -0.031898   0.044445  -0.001349
+    1SOL     H6    6   0.017800   0.141791   0.103402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112872   0.028053   0.064653
+    0SOL     H2    2  -0.133081  -0.006933  -0.022122
+    0SOL     H3    3  -0.197162   0.058082   0.098649
+    1SOL     O4    4   0.122205  -0.033080  -0.063603
+    1SOL     H5    5   0.133395   0.054665  -0.100180
+    1SOL     H6    6   0.062076  -0.020960   0.009881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108039  -0.071365   0.052089
+    0SOL     H2    2  -0.056166  -0.028585  -0.016038
+    0SOL     H3    3  -0.131218  -0.156404   0.014760
+    1SOL     O4    4   0.103324   0.073876  -0.039560
+    1SOL     H5    5   0.102175   0.142874  -0.105895
+    1SOL     H6    6   0.156612   0.004359  -0.078162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052683   0.103804  -0.082872
+    0SOL     H2    2   0.019014   0.169224  -0.021643
+    0SOL     H3    3   0.019707   0.020405  -0.049413
+    1SOL     O4    4  -0.051488  -0.096492   0.079473
+    1SOL     H5    5   0.018047  -0.145362   0.123505
+    1SOL     H6    6  -0.079981  -0.154008   0.008463
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110970   0.046332   0.059173
+    0SOL     H2    2   0.162920   0.050553  -0.021112
+    0SOL     H3    3   0.121514   0.132664   0.099147
+    1SOL     O4    4  -0.117022  -0.057185  -0.053431
+    1SOL     H5    5  -0.033818  -0.011632  -0.040610
+    1SOL     H6    6  -0.160238  -0.008859  -0.123853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032116  -0.102906  -0.090544
+    0SOL     H2    2   0.051169  -0.082412  -0.182083
+    0SOL     H3    3   0.006363  -0.019134  -0.052055
+    1SOL     O4    4  -0.025981   0.094748   0.089252
+    1SOL     H5    5  -0.105765   0.141222   0.064016
+    1SOL     H6    6  -0.036408   0.078308   0.182971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082878   0.094144  -0.066768
+    0SOL     H2    2  -0.163680   0.046844  -0.086670
+    0SOL     H3    3  -0.026012   0.028579  -0.026397
+    1SOL     O4    4   0.081699  -0.083703   0.061635
+    1SOL     H5    5   0.128054  -0.165529   0.043804
+    1SOL     H6    6   0.085340  -0.074309   0.156824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116221  -0.071497   0.036504
+    0SOL     H2    2  -0.058386  -0.004770  -0.000439
+    0SOL     H3    3  -0.189327  -0.022048   0.073553
+    1SOL     O4    4   0.115436   0.059209  -0.040078
+    1SOL     H5    5   0.167860   0.065880   0.039731
+    1SOL     H6    6   0.090055   0.149387  -0.059727
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062359  -0.046481   0.117096
+    0SOL     H2    2  -0.030735  -0.044608   0.026770
+    0SOL     H3    3  -0.096321  -0.135206   0.128797
+    1SOL     O4    4   0.057461   0.047127  -0.112339
+    1SOL     H5    5   0.059441   0.135013  -0.150214
+    1SOL     H6    6   0.146683   0.032531  -0.080895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011575  -0.115654   0.081728
+    0SOL     H2    2  -0.015390  -0.066092   0.004405
+    0SOL     H3    3  -0.070541  -0.140019   0.124455
+    1SOL     O4    4  -0.001316   0.109468  -0.076297
+    1SOL     H5    5  -0.041588   0.190304  -0.044579
+    1SOL     H6    6  -0.023936   0.106254  -0.169251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044974  -0.084034  -0.105823
+    0SOL     H2    2   0.010676  -0.093504  -0.183126
+    0SOL     H3    3  -0.007602  -0.009828  -0.058293
+    1SOL     O4    4   0.035075   0.077405   0.103667
+    1SOL     H5    5   0.037715   0.166802   0.137777
+    1SOL     H6    6   0.114148   0.036125   0.138391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063890   0.041489   0.111331
+    0SOL     H2    2  -0.153576   0.043355   0.144726
+    0SOL     H3    3  -0.037743   0.133494   0.107622
+    1SOL     O4    4   0.074048  -0.049315  -0.111651
+    1SOL     H5    5   0.025548  -0.057383  -0.193779
+    1SOL     H6    6   0.013853  -0.004045  -0.052579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023306  -0.128831  -0.058221
+    0SOL     H2    2   0.049711  -0.040313  -0.033127
+    0SOL     H3    3  -0.003355  -0.120865  -0.149808
+    1SOL     O4    4  -0.022085   0.118562   0.057980
+    1SOL     H5    5   0.017848   0.205009   0.048259
+    1SOL     H6    6  -0.079087   0.126916   0.134421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122825   0.058186   0.018261
+    0SOL     H2    2  -0.187557   0.049130  -0.051668
+    0SOL     H3    3  -0.088030   0.146699   0.007439
+    1SOL     O4    4   0.130045  -0.063437  -0.009515
+    1SOL     H5    5   0.123380  -0.085305  -0.102465
+    1SOL     H6    6   0.043220  -0.030479   0.013671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110460   0.089621   0.020669
+    0SOL     H2    2   0.055476   0.017477  -0.009898
+    0SOL     H3    3   0.178352   0.047413   0.073314
+    1SOL     O4    4  -0.105934  -0.084867  -0.017610
+    1SOL     H5    5  -0.185814  -0.037679   0.005941
+    1SOL     H6    6  -0.111607  -0.095772  -0.112538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016285   0.098899  -0.089164
+    0SOL     H2    2  -0.012673   0.187695  -0.068210
+    0SOL     H3    3   0.053596   0.105933  -0.177032
+    1SOL     O4    4  -0.011509  -0.107564   0.095350
+    1SOL     H5    5  -0.102933  -0.135905   0.096266
+    1SOL     H6    6  -0.013457  -0.021588   0.053317
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036090   0.077392   0.104050
+    0SOL     H2    2   0.031249   0.048728   0.195249
+    0SOL     H3    3   0.116208   0.129571   0.099514
+    1SOL     O4    4  -0.043781  -0.076419  -0.114491
+    1SOL     H5    5  -0.022124  -0.167553  -0.094796
+    1SOL     H6    6  -0.009616  -0.026991  -0.039980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011860   0.110890  -0.095369
+    0SOL     H2    2  -0.088376   0.066751  -0.132238
+    0SOL     H3    3   0.028248   0.045542  -0.038068
+    1SOL     O4    4   0.018971  -0.105105   0.089050
+    1SOL     H5    5  -0.063858  -0.152999   0.091853
+    1SOL     H6    6   0.019577  -0.053471   0.169647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058186   0.122895   0.006238
+    0SOL     H2    2  -0.065913   0.163318   0.092659
+    0SOL     H3    3  -0.048651   0.196671  -0.053999
+    1SOL     O4    4   0.055576  -0.133935  -0.003745
+    1SOL     H5    5   0.017963  -0.049749  -0.029439
+    1SOL     H6    6   0.140962  -0.136258  -0.046944
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033876   0.106472  -0.083055
+    0SOL     H2    2  -0.064226   0.062316  -0.162373
+    0SOL     H3    3  -0.113842   0.138534  -0.041344
+    1SOL     O4    4   0.037846  -0.111816   0.086398
+    1SOL     H5    5  -0.005450  -0.035211   0.048721
+    1SOL     H6    6   0.127230  -0.082543   0.104173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047378  -0.136343  -0.020735
+    0SOL     H2    2   0.024077  -0.046296   0.001871
+    0SOL     H3    3   0.100257  -0.128243  -0.100111
+    1SOL     O4    4  -0.045679   0.125324   0.021034
+    1SOL     H5    5  -0.057746   0.212911  -0.015644
+    1SOL     H6    6  -0.088791   0.128913   0.106420
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052774  -0.123102  -0.027799
+    0SOL     H2    2   0.008370  -0.191736  -0.077597
+    0SOL     H3    3   0.107277  -0.170478   0.035028
+    1SOL     O4    4  -0.056554   0.130466   0.033260
+    1SOL     H5    5  -0.070718   0.170088  -0.052716
+    1SOL     H6    6   0.008567   0.062054   0.017722
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124755   0.023601  -0.073247
+    0SOL     H2    2   0.088609   0.037963  -0.160709
+    0SOL     H3    3   0.049990  -0.005041  -0.020787
+    1SOL     O4    4  -0.113746  -0.026238   0.071680
+    1SOL     H5    5  -0.200848  -0.054614   0.099435
+    1SOL     H6    6  -0.106362   0.063587   0.103919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124974   0.041338   0.039464
+    0SOL     H2    2  -0.149978   0.062874  -0.050388
+    0SOL     H3    3  -0.204467   0.056123   0.090694
+    1SOL     O4    4   0.137068  -0.044822  -0.036037
+    1SOL     H5    5   0.090241  -0.068076  -0.116216
+    1SOL     H6    6   0.073115   0.004022   0.015797
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113721  -0.078012  -0.001362
+    0SOL     H2    2  -0.145341  -0.168269  -0.005403
+    0SOL     H3    3  -0.165804  -0.037416   0.067930
+    1SOL     O4    4   0.121690   0.080483  -0.007893
+    1SOL     H5    5   0.039542   0.036038   0.013051
+    1SOL     H6    6   0.144249   0.128124   0.072005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111124  -0.085814   0.053644
+    0SOL     H2    2   0.028676  -0.054517   0.016426
+    0SOL     H3    3   0.126656  -0.028771   0.128925
+    1SOL     O4    4  -0.104950   0.074044  -0.056206
+    1SOL     H5    5  -0.197016   0.100201  -0.057650
+    1SOL     H6    6  -0.056647   0.156522  -0.051049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000199   0.074937   0.120816
+    0SOL     H2    2   0.068246   0.116931   0.173432
+    0SOL     H3    3  -0.047764   0.147657   0.081147
+    1SOL     O4    4  -0.006314  -0.086073  -0.122622
+    1SOL     H5    5   0.063302  -0.061009  -0.183348
+    1SOL     H6    6   0.007378  -0.030270  -0.046066
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095865   0.093571  -0.070128
+    0SOL     H2    2  -0.165379   0.030351  -0.088385
+    0SOL     H3    3  -0.022525   0.040355  -0.039277
+    1SOL     O4    4   0.088959  -0.088448   0.066917
+    1SOL     H5    5   0.117231  -0.077088   0.157658
+    1SOL     H6    6   0.166249  -0.066716   0.014799
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013721   0.107455  -0.104944
+    0SOL     H2    2  -0.033330   0.052557  -0.180865
+    0SOL     H3    3   0.002620   0.045327  -0.033984
+    1SOL     O4    4   0.013922  -0.096079   0.101218
+    1SOL     H5    5  -0.059018  -0.156926   0.113039
+    1SOL     H6    6   0.082858  -0.129854   0.158396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042923  -0.122319   0.061197
+    0SOL     H2    2   0.091574  -0.102166   0.141130
+    0SOL     H3    3   0.031742  -0.217363   0.063226
+    1SOL     O4    4  -0.041762   0.132524  -0.068241
+    1SOL     H5    5  -0.136141   0.120054  -0.058277
+    1SOL     H6    6  -0.003471   0.049439  -0.040083
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111808  -0.045528  -0.090882
+    0SOL     H2    2  -0.077822   0.013976  -0.157714
+    0SOL     H3    3  -0.160874   0.010950  -0.031175
+    1SOL     O4    4   0.113901   0.045191   0.095238
+    1SOL     H5    5   0.167925  -0.031781   0.077377
+    1SOL     H6    6   0.034018   0.030736   0.044522
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063224  -0.114780   0.082480
+    0SOL     H2    2  -0.011550  -0.127214   0.140932
+    0SOL     H3    3   0.047185  -0.030187   0.040658
+    1SOL     O4    4  -0.052469   0.105651  -0.083012
+    1SOL     H5    5  -0.046850   0.200627  -0.072513
+    1SOL     H6    6  -0.144881   0.088983  -0.101571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031666  -0.050268   0.131614
+    0SOL     H2    2   0.114145  -0.021935   0.171071
+    0SOL     H3    3  -0.014034  -0.096319   0.201993
+    1SOL     O4    4  -0.033555   0.049552  -0.144361
+    1SOL     H5    5  -0.022469  -0.010479  -0.070633
+    1SOL     H6    6  -0.048573   0.134920  -0.103751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056888  -0.128348   0.039989
+    0SOL     H2    2   0.106140  -0.210179   0.033655
+    0SOL     H3    3   0.071162  -0.098641   0.129857
+    1SOL     O4    4  -0.057790   0.135135  -0.049435
+    1SOL     H5    5  -0.143124   0.141597  -0.006555
+    1SOL     H6    6  -0.015720   0.059833  -0.007937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054036   0.130796   0.041413
+    0SOL     H2    2  -0.047981   0.221127   0.072493
+    0SOL     H3    3  -0.080352   0.080591   0.118544
+    1SOL     O4    4   0.050261  -0.137090  -0.050298
+    1SOL     H5    5   0.040017  -0.052222  -0.007232
+    1SOL     H6    6   0.144743  -0.152424  -0.050946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085891  -0.041813   0.113722
+    0SOL     H2    2   0.100696   0.032239   0.172540
+    0SOL     H3    3   0.032054  -0.102460   0.164573
+    1SOL     O4    4  -0.088577   0.036385  -0.121155
+    1SOL     H5    5  -0.008751   0.028674  -0.068899
+    1SOL     H6    6  -0.083625   0.123828  -0.159775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029477   0.153516  -0.015879
+    0SOL     H2    2  -0.068304   0.178691   0.067913
+    0SOL     H3    3  -0.003397   0.062216  -0.003779
+    1SOL     O4    4   0.035461  -0.149662   0.007490
+    1SOL     H5    5  -0.054812  -0.154768  -0.023926
+    1SOL     H6    6   0.027771  -0.150803   0.102894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124682  -0.066640  -0.079509
+    0SOL     H2    2   0.115554   0.009903  -0.022761
+    0SOL     H3    3   0.034792  -0.094961  -0.096246
+    1SOL     O4    4  -0.116049   0.069247   0.073255
+    1SOL     H5    5  -0.209902   0.058782   0.088892
+    1SOL     H6    6  -0.075209  -0.000116   0.125054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069111   0.023208   0.145144
+    0SOL     H2    2  -0.003716  -0.035220   0.124055
+    0SOL     H3    3   0.140590  -0.006189   0.088674
+    1SOL     O4    4  -0.064133  -0.012773  -0.141628
+    1SOL     H5    5  -0.090339  -0.083874  -0.200110
+    1SOL     H6    6  -0.117224  -0.025558  -0.063014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080730  -0.018603  -0.133842
+    0SOL     H2    2   0.157449   0.025293  -0.170580
+    0SOL     H3    3   0.014953   0.050503  -0.126103
+    1SOL     O4    4  -0.079414   0.017595   0.140044
+    1SOL     H5    5  -0.091730   0.025506   0.045450
+    1SOL     H6    6  -0.101549  -0.073455   0.159596
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123783   0.102112  -0.019039
+    0SOL     H2    2  -0.205271   0.059612  -0.045793
+    0SOL     H3    3  -0.062337   0.029943  -0.005689
+    1SOL     O4    4   0.125786  -0.095224   0.026353
+    1SOL     H5    5   0.182677  -0.066403  -0.045026
+    1SOL     H6    6   0.053139  -0.139693  -0.017321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.160035  -0.004643   0.026499
+    0SOL     H2    2   0.168267  -0.014519   0.121352
+    0SOL     H3    3   0.080435  -0.052886   0.004166
+    1SOL     O4    4  -0.156292   0.013912  -0.026872
+    1SOL     H5    5  -0.190984  -0.003256  -0.114416
+    1SOL     H6    6  -0.119798  -0.069956   0.001353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027372   0.112722  -0.115608
+    0SOL     H2    2   0.027615   0.046290  -0.074069
+    0SOL     H3    3  -0.095829   0.062791  -0.160139
+    1SOL     O4    4   0.031549  -0.102095   0.112849
+    1SOL     H5    5  -0.011656  -0.179491   0.076716
+    1SOL     H6    6   0.009527  -0.103604   0.205989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015021   0.135672  -0.090410
+    0SOL     H2    2  -0.007036   0.061634  -0.030269
+    0SOL     H3    3   0.060401   0.191103  -0.070380
+    1SOL     O4    4   0.008641  -0.128497   0.083108
+    1SOL     H5    5  -0.049414  -0.193137   0.123278
+    1SOL     H6    6   0.095401  -0.168790   0.086472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096597   0.105746   0.056885
+    0SOL     H2    2  -0.128093   0.178462   0.003195
+    0SOL     H3    3  -0.173782   0.076519   0.105367
+    1SOL     O4    4   0.106672  -0.105282  -0.061637
+    1SOL     H5    5   0.023281  -0.078280  -0.023178
+    1SOL     H6    6   0.130948  -0.184246  -0.013287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126673  -0.100244   0.012230
+    0SOL     H2    2  -0.091609  -0.011406   0.005856
+    0SOL     H3    3  -0.203985  -0.091586   0.067999
+    1SOL     O4    4   0.122994   0.092167  -0.018000
+    1SOL     H5    5   0.156143   0.181778  -0.023772
+    1SOL     H6    6   0.184051   0.047734   0.040821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054676   0.002996   0.154618
+    0SOL     H2    2   0.083081   0.089138   0.124040
+    0SOL     H3    3  -0.040740   0.005203   0.147323
+    1SOL     O4    4  -0.048940  -0.004087  -0.147275
+    1SOL     H5    5  -0.051706  -0.099761  -0.148395
+    1SOL     H6    6  -0.080265   0.021842  -0.233928
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066450   0.100139   0.109145
+    0SOL     H2    2   0.111961   0.073257   0.188947
+    0SOL     H3    3  -0.013320   0.142926   0.140264
+    1SOL     O4    4  -0.061555  -0.105912  -0.118592
+    1SOL     H5    5  -0.153835  -0.081761  -0.126558
+    1SOL     H6    6  -0.025692  -0.043260  -0.055736
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056917  -0.157062   0.053404
+    0SOL     H2    2  -0.000615  -0.079849   0.047875
+    0SOL     H3    3  -0.127839  -0.139527  -0.008443
+    1SOL     O4    4   0.051510   0.151138  -0.047084
+    1SOL     H5    5   0.086924   0.124166  -0.131823
+    1SOL     H6    6   0.127438   0.183317   0.001515
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132537  -0.101024  -0.039598
+    0SOL     H2    2  -0.061344  -0.069132  -0.095066
+    0SOL     H3    3  -0.155235  -0.186416  -0.076414
+    1SOL     O4    4   0.129798   0.107875   0.051430
+    1SOL     H5    5   0.121502   0.141598  -0.037768
+    1SOL     H6    6   0.132666   0.012773   0.040962
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101879   0.034253  -0.146946
+    0SOL     H2    2  -0.102599  -0.017693  -0.066550
+    0SOL     H3    3  -0.149660   0.114065  -0.124378
+    1SOL     O4    4   0.100240  -0.031054   0.140480
+    1SOL     H5    5   0.104702  -0.114219   0.093300
+    1SOL     H6    6   0.175820  -0.032686   0.199194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016759  -0.173877  -0.065293
+    0SOL     H2    2  -0.077545  -0.102277  -0.046828
+    0SOL     H3    3   0.069331  -0.132133  -0.068162
+    1SOL     O4    4   0.015407   0.160197   0.063779
+    1SOL     H5    5   0.017901   0.223322  -0.008133
+    1SOL     H6    6   0.012337   0.214027   0.142869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.082853   0.067578  -0.146494
+    0SOL     H2    2   0.053001   0.104714  -0.229513
+    0SOL     H3    3   0.041679   0.122238  -0.079568
+    1SOL     O4    4  -0.077940  -0.069054   0.152917
+    1SOL     H5    5  -0.160101  -0.084378   0.106258
+    1SOL     H6    6  -0.012541  -0.118067   0.103088
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076690  -0.009569  -0.173866
+    0SOL     H2    2   0.008242  -0.053608  -0.224240
+    0SOL     H3    3   0.070731  -0.048128  -0.086458
+    1SOL     O4    4  -0.067164   0.018226   0.169810
+    1SOL     H5    5  -0.086267  -0.019969   0.255475
+    1SOL     H6    6  -0.139555  -0.010377   0.114098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063616  -0.106636   0.142465
+    0SOL     H2    2   0.079722  -0.106432   0.236820
+    0SOL     H3    3   0.098148  -0.190697   0.112406
+    1SOL     O4    4  -0.071122   0.108316  -0.150053
+    1SOL     H5    5  -0.042522   0.087628  -0.061079
+    1SOL     H6    6  -0.019780   0.185324  -0.174468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016633  -0.027553  -0.195387
+    0SOL     H2    2  -0.105805  -0.041888  -0.227090
+    0SOL     H3    3   0.035474  -0.094964  -0.239011
+    1SOL     O4    4   0.014422   0.036759   0.201386
+    1SOL     H5    5   0.009827  -0.056432   0.222756
+    1SOL     H6    6   0.090047   0.044337   0.143199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111576  -0.157556  -0.079712
+    0SOL     H2    2   0.066928  -0.119484  -0.155339
+    0SOL     H3    3   0.201361  -0.124966  -0.085938
+    1SOL     O4    4  -0.112924   0.154326   0.089370
+    1SOL     H5    5  -0.118825   0.073952   0.037721
+    1SOL     H6    6  -0.123698   0.224767   0.025461
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.115066   0.098789   0.151282
+    0SOL     H2    2   0.094088   0.023816   0.095593
+    0SOL     H3    3   0.179911   0.065286   0.213209
+    1SOL     O4    4  -0.118388  -0.086288  -0.153155
+    1SOL     H5    5  -0.071782  -0.125319  -0.079217
+    1SOL     H6    6  -0.151842  -0.161093  -0.202626
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075419   0.195530   0.049114
+    0SOL     H2    2   0.091485   0.102146   0.062666
+    0SOL     H3    3   0.054953   0.229264   0.136324
+    1SOL     O4    4  -0.074686  -0.196563  -0.050507
+    1SOL     H5    5  -0.152441  -0.148161  -0.078324
+    1SOL     H6    6  -0.004227  -0.162518  -0.105632
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060056   0.131401   0.165257
+    0SOL     H2    2  -0.153606   0.116609   0.179109
+    0SOL     H3    3  -0.046994   0.223848   0.186356
+    1SOL     O4    4   0.062156  -0.141682  -0.168562
+    1SOL     H5    5   0.041545  -0.057286  -0.208747
+    1SOL     H6    6   0.127449  -0.121100  -0.101662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011247   0.187467   0.123240
+    0SOL     H2    2   0.022334   0.237651   0.197510
+    0SOL     H3    3  -0.024682   0.252587   0.054383
+    1SOL     O4    4   0.011091  -0.193165  -0.130038
+    1SOL     H5    5   0.022987  -0.277418  -0.086195
+    1SOL     H6    6  -0.019974  -0.134431  -0.061135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024859   0.143792   0.179848
+    0SOL     H2    2  -0.032514   0.171711   0.108495
+    0SOL     H3    3   0.006248   0.205073   0.250986
+    1SOL     O4    4  -0.026132  -0.149128  -0.177244
+    1SOL     H5    5   0.025898  -0.224970  -0.203762
+    1SOL     H6    6   0.029032  -0.073720  -0.198048
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014157  -0.235685  -0.052866
+    0SOL     H2    2   0.100487  -0.198190  -0.070289
+    0SOL     H3    3  -0.012798  -0.273731  -0.136461
+    1SOL     O4    4  -0.016070   0.238965   0.064309
+    1SOL     H5    5  -0.012176   0.265022  -0.027714
+    1SOL     H6    6  -0.048570   0.148951   0.062408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095345   0.211305  -0.064534
+    0SOL     H2    2   0.131720   0.228093  -0.151467
+    0SOL     H3    3   0.062111   0.296281  -0.035606
+    1SOL     O4    4  -0.097014  -0.222424   0.071416
+    1SOL     H5    5  -0.028628  -0.158258   0.090611
+    1SOL     H6    6  -0.138845  -0.189806  -0.008263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.188460   0.099930  -0.121332
+    0SOL     H2    2  -0.265270   0.098486  -0.178433
+    0SOL     H3    3  -0.142107   0.018621  -0.141398
+    1SOL     O4    4   0.192910  -0.097270   0.120557
+    1SOL     H5    5   0.199033  -0.011114   0.161811
+    1SOL     H6    6   0.135744  -0.147621   0.178514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056215   0.038794  -0.250030
+    0SOL     H2    2  -0.149983   0.028684  -0.233668
+    0SOL     H3    3  -0.020151   0.067362  -0.166092
+    1SOL     O4    4   0.061380  -0.034772   0.250026
+    1SOL     H5    5  -0.008659  -0.025115   0.185499
+    1SOL     H6    6   0.099485  -0.120587   0.231423
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020177  -0.144501   0.203818
+    0SOL     H2    2  -0.013694  -0.229130   0.233026
+    0SOL     H3    3   0.082965  -0.119138   0.271469
+    1SOL     O4    4  -0.018338   0.147830  -0.203198
+    1SOL     H5    5  -0.004501   0.208525  -0.275909
+    1SOL     H6    6  -0.088897   0.090406  -0.232967
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024881   0.184149   0.184495
+    0SOL     H2    2  -0.026053   0.212950   0.108742
+    0SOL     H3    3   0.002238   0.246306   0.253676
+    1SOL     O4    4  -0.017527  -0.194822  -0.186134
+    1SOL     H5    5  -0.019970  -0.109847  -0.230130
+    1SOL     H6    6  -0.071190  -0.182831  -0.107783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035414  -0.169463  -0.200021
+    0SOL     H2    2   0.029015  -0.238049  -0.217552
+    0SOL     H3    3  -0.119969  -0.211181  -0.216526
+    1SOL     O4    4   0.037672   0.182015   0.204029
+    1SOL     H5    5   0.073284   0.101933   0.242513
+    1SOL     H6    6  -0.012893   0.151932   0.128527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.144575   0.200755  -0.207561
+    0SOL     H2    2  -0.063188   0.153441  -0.224877
+    0SOL     H3    3  -0.212613   0.147211  -0.248380
+    1SOL     O4    4   0.143411  -0.196258   0.217115
+    1SOL     H5    5   0.114460  -0.258879   0.150762
+    1SOL     H6    6   0.179903  -0.123332   0.166990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104055  -0.186354   0.262027
+    0SOL     H2    2  -0.034691  -0.233616   0.216014
+    0SOL     H3    3  -0.180064  -0.244307   0.256893
+    1SOL     O4    4   0.105927   0.197953  -0.261099
+    1SOL     H5    5   0.027371   0.149158  -0.285806
+    1SOL     H6    6   0.156838   0.136377  -0.208386
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.098739   0.223841  -0.294716
+    0SOL     H2    2   0.105635   0.194095  -0.385434
+    0SOL     H3    3   0.175862   0.279003  -0.281618
+    1SOL     O4    4  -0.105108  -0.231545   0.299956
+    1SOL     H5    5  -0.067154  -0.169463   0.362146
+    1SOL     H6    6  -0.111685  -0.182467   0.218039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.184362   0.096564  -0.341259
+    0SOL     H2    2  -0.175633   0.001440  -0.347376
+    0SOL     H3    3  -0.113805   0.123403  -0.282406
+    1SOL     O4    4   0.181223  -0.098813   0.335312
+    1SOL     H5    5   0.237680  -0.041460   0.387133
+    1SOL     H6    6   0.098104  -0.051710   0.329406
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100192   0.384520   0.032457
+    0SOL     H2    2  -0.134297   0.372713  -0.056198
+    0SOL     H3    3  -0.014121   0.424486   0.019934
+    1SOL     O4    4   0.096383  -0.379885  -0.026142
+    1SOL     H5    5   0.059049  -0.435811  -0.094266
+    1SOL     H6    6   0.143272  -0.440270   0.031454
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061505  -0.298810   0.273539
+    0SOL     H2    2  -0.134213  -0.343592   0.230291
+    0SOL     H3    3   0.011720  -0.307450   0.212500
+    1SOL     O4    4   0.059632   0.307068  -0.271246
+    1SOL     H5    5   0.092196   0.303719  -0.181298
+    1SOL     H6    6   0.055476   0.215462  -0.298691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065045   0.426656  -0.091579
+    0SOL     H2    2   0.135824   0.455890  -0.149007
+    0SOL     H3    3   0.004000   0.500349  -0.089302
+    1SOL     O4    4  -0.064672  -0.434760   0.100774
+    1SOL     H5    5  -0.001405  -0.392976   0.042347
+    1SOL     H6    6  -0.147096  -0.432940   0.052140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149776   0.215216   0.416414
+    0SOL     H2    2   0.112629   0.210282   0.328334
+    0SOL     H3    3   0.093442   0.158824   0.469412
+    1SOL     O4    4  -0.146267  -0.213013  -0.421642
+    1SOL     H5    5  -0.078733  -0.160744  -0.378407
+    1SOL     H6    6  -0.196234  -0.251819  -0.349810
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.354059   0.194588   0.301322
+    0SOL     H2    2  -0.289194   0.196375   0.371690
+    0SOL     H3    3  -0.431282   0.154172   0.340887
+    1SOL     O4    4   0.354020  -0.194120  -0.301196
+    1SOL     H5    5   0.379109  -0.108134  -0.334949
+    1SOL     H6    6   0.342645  -0.248197  -0.379354
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012332  -0.499334  -0.303699
+    0SOL     H2    2   0.023638  -0.594254  -0.308665
+    0SOL     H3    3   0.096377  -0.466810  -0.271435
+    1SOL     O4    4  -0.022377   0.498552   0.302651
+    1SOL     H5    5   0.068035   0.479250   0.327459
+    1SOL     H6    6  -0.019856   0.588915   0.271179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.908233   0.695259  -0.126735
+    0SOL     H2    2   0.915321   0.783008  -0.089156
+    0SOL     H3    3   0.828346   0.659098  -0.088357
+    1SOL     O4    4  -0.902431  -0.696554   0.128781
+    1SOL     H5    5  -0.841801  -0.709064   0.055776
+    1SOL     H6    6  -0.989160  -0.709698   0.090470
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043844  -0.107520   0.062896
+    0SOL     H2    2   0.018481  -0.020897   0.031029
+    0SOL     H3    3   0.107619  -0.089917   0.132071
+    1SOL     O4    4  -0.040385   0.097219  -0.065390
+    1SOL     H5    5  -0.044610   0.177033  -0.012719
+    1SOL     H6    6  -0.126391   0.091341  -0.106994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054426   0.102295   0.061961
+    0SOL     H2    2   0.031166   0.013134   0.036047
+    0SOL     H3    3   0.141411   0.094009   0.101041
+    1SOL     O4    4  -0.057741  -0.092671  -0.057601
+    1SOL     H5    5  -0.054867  -0.062721  -0.148470
+    1SOL     H6    6  -0.070215  -0.187364  -0.063926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007458   0.007848  -0.125150
+    0SOL     H2    2   0.050241  -0.062460  -0.174024
+    0SOL     H3    3   0.071958   0.078552  -0.123399
+    1SOL     O4    4  -0.009564  -0.011254   0.129431
+    1SOL     H5    5  -0.031544   0.018543   0.041163
+    1SOL     H6    6  -0.076117   0.028626   0.185491
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041639   0.115328  -0.014127
+    0SOL     H2    2   0.009029   0.161967  -0.091092
+    0SOL     H3    3   0.101651   0.177063   0.027703
+    1SOL     O4    4  -0.045483  -0.123721   0.021812
+    1SOL     H5    5  -0.030894  -0.167835  -0.061875
+    1SOL     H6    6  -0.019004  -0.033087   0.006101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026691  -0.033635   0.117029
+    0SOL     H2    2  -0.095713  -0.082338   0.162044
+    0SOL     H3    3   0.054793  -0.072137   0.149283
+    1SOL     O4    4   0.026668   0.035950  -0.127985
+    1SOL     H5    5   0.023825  -0.007248  -0.042614
+    1SOL     H6    6   0.019974   0.129296  -0.107883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040106   0.104866  -0.074637
+    0SOL     H2    2   0.134544   0.119534  -0.079986
+    0SOL     H3    3   0.029830   0.039718  -0.005265
+    1SOL     O4    4  -0.048362  -0.097136   0.074049
+    1SOL     H5    5  -0.075875  -0.140509  -0.006723
+    1SOL     H6    6   0.035669  -0.137594   0.095592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064689  -0.063824   0.090603
+    0SOL     H2    2  -0.018947  -0.119508   0.153605
+    0SOL     H3    3  -0.117464  -0.124571   0.038768
+    1SOL     O4    4   0.062294   0.076810  -0.092815
+    1SOL     H5    5   0.136886   0.035581  -0.136387
+    1SOL     H6    6   0.037249   0.014821  -0.024313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003318  -0.081150   0.100630
+    0SOL     H2    2   0.087306  -0.124533   0.085586
+    0SOL     H3    3  -0.008672  -0.084324   0.195543
+    1SOL     O4    4  -0.011224   0.087650  -0.108228
+    1SOL     H5    5  -0.034319   0.033263  -0.032922
+    1SOL     H6    6   0.082042   0.071142  -0.122053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037055  -0.102224  -0.079733
+    0SOL     H2    2  -0.025081  -0.072835  -0.170039
+    0SOL     H3    3   0.050424  -0.128736  -0.051324
+    1SOL     O4    4   0.036132   0.106701   0.084351
+    1SOL     H5    5  -0.028412   0.078877   0.149329
+    1SOL     H6    6   0.013945   0.056940   0.005650
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056314   0.081857  -0.083894
+    0SOL     H2    2   0.111243   0.032913  -0.145127
+    0SOL     H3    3   0.040203   0.165453  -0.127650
+    1SOL     O4    4  -0.058769  -0.084842   0.096388
+    1SOL     H5    5  -0.003088  -0.024037   0.047760
+    1SOL     H6    6  -0.108176  -0.131364   0.028882
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002763   0.130675  -0.007511
+    0SOL     H2    2   0.062312   0.198823   0.023666
+    0SOL     H3    3   0.006861   0.137039  -0.102931
+    1SOL     O4    4  -0.007054  -0.140130   0.005952
+    1SOL     H5    5   0.021629  -0.048843   0.003433
+    1SOL     H6    6  -0.030862  -0.155290   0.097416
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092391  -0.033141   0.087317
+    0SOL     H2    2   0.167591  -0.060284   0.034682
+    0SOL     H3    3   0.103466  -0.079160   0.170515
+    1SOL     O4    4  -0.095130   0.040483  -0.093749
+    1SOL     H5    5  -0.177471  -0.006501  -0.080524
+    1SOL     H6    6  -0.043952   0.021841  -0.015037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028876  -0.010718   0.137526
+    0SOL     H2    2   0.019739   0.078242   0.171658
+    0SOL     H3    3   0.021329  -0.000898   0.042611
+    1SOL     O4    4  -0.027568   0.010279  -0.130540
+    1SOL     H5    5   0.035993  -0.012462  -0.198401
+    1SOL     H6    6  -0.092327  -0.060135  -0.133748
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098136  -0.104339   0.009312
+    0SOL     H2    2  -0.022699  -0.046740  -0.003096
+    0SOL     H3    3  -0.171726  -0.044789   0.023473
+    1SOL     O4    4   0.097668   0.090712  -0.011936
+    1SOL     H5    5   0.099711   0.119218   0.079418
+    1SOL     H6    6   0.109344   0.171176  -0.062450
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023798   0.116451  -0.061869
+    0SOL     H2    2   0.112363   0.143491  -0.086106
+    0SOL     H3    3  -0.005032   0.182444   0.001187
+    1SOL     O4    4  -0.023107  -0.127633   0.058960
+    1SOL     H5    5  -0.018217  -0.044307   0.012107
+    1SOL     H6    6  -0.098304  -0.117936   0.117387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021198   0.105782  -0.094962
+    0SOL     H2    2  -0.069376   0.103182  -0.125815
+    0SOL     H3    3   0.019750   0.057702  -0.012206
+    1SOL     O4    4  -0.012518  -0.097218   0.090728
+    1SOL     H5    5  -0.107294  -0.110590   0.091759
+    1SOL     H6    6   0.024009  -0.182496   0.114304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026059   0.129146  -0.027797
+    0SOL     H2    2   0.067719   0.139528  -0.113348
+    0SOL     H3    3  -0.034561   0.202956  -0.021509
+    1SOL     O4    4  -0.028606  -0.135116   0.038047
+    1SOL     H5    5   0.009130  -0.200370  -0.020948
+    1SOL     H6    6  -0.000977  -0.051015   0.001633
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022619  -0.014677  -0.133903
+    0SOL     H2    2  -0.069974  -0.097619  -0.127535
+    0SOL     H3    3   0.041576  -0.028972  -0.203451
+    1SOL     O4    4   0.026704   0.015714   0.136030
+    1SOL     H5    5  -0.042648   0.046487   0.077672
+    1SOL     H6    6   0.011208   0.062142   0.218290
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033451   0.122283  -0.075305
+    0SOL     H2    2  -0.035431   0.040400  -0.124840
+    0SOL     H3    3   0.028215   0.105708  -0.003997
+    1SOL     O4    4   0.026552  -0.112119   0.069658
+    1SOL     H5    5  -0.009539  -0.167916   0.138552
+    1SOL     H6    6   0.121308  -0.123838   0.076463
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062458  -0.099926   0.083339
+    0SOL     H2    2  -0.103421  -0.063422   0.161772
+    0SOL     H3    3  -0.011982  -0.027350   0.046635
+    1SOL     O4    4   0.059431   0.097141  -0.079941
+    1SOL     H5    5   0.017190   0.084009  -0.164827
+    1SOL     H6    6   0.144795   0.054753  -0.088800
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054029  -0.084899   0.093116
+    0SOL     H2    2   0.123067  -0.046911   0.147457
+    0SOL     H3    3   0.001880  -0.137422   0.153813
+    1SOL     O4    4  -0.059038   0.090872  -0.099708
+    1SOL     H5    5  -0.045161   0.030391  -0.026826
+    1SOL     H6    6  -0.002549   0.057709  -0.169504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088639   0.004894  -0.111917
+    0SOL     H2    2  -0.048280   0.086279  -0.142080
+    0SOL     H3    3  -0.150168   0.032375  -0.043936
+    1SOL     O4    4   0.091512  -0.017772   0.113250
+    1SOL     H5    5   0.065614  -0.008039   0.021616
+    1SOL     H6    6   0.095725   0.071834   0.146647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073362  -0.003642   0.119852
+    0SOL     H2    2   0.152903  -0.049447   0.092696
+    0SOL     H3    3   0.032976  -0.061807   0.184258
+    1SOL     O4    4  -0.078209   0.004695  -0.125737
+    1SOL     H5    5  -0.024971  -0.007487  -0.047126
+    1SOL     H6    6  -0.085329   0.099657  -0.135421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047317   0.112479   0.074348
+    0SOL     H2    2   0.047356   0.061187   0.155166
+    0SOL     H3    3  -0.031133   0.166972   0.080547
+    1SOL     O4    4  -0.048561  -0.114604  -0.082994
+    1SOL     H5    5   0.035353  -0.160564  -0.080096
+    1SOL     H6    6  -0.035485  -0.037287  -0.028100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121414  -0.049243  -0.051948
+    0SOL     H2    2   0.189829   0.004132  -0.011540
+    0SOL     H3    3   0.125574  -0.027171  -0.144996
+    1SOL     O4    4  -0.131406   0.045284   0.051960
+    1SOL     H5    5  -0.117369   0.053866   0.146256
+    1SOL     H6    6  -0.043948   0.030666   0.015910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.087750   0.099425   0.071617
+    0SOL     H2    2   0.139021   0.059052   0.001590
+    0SOL     H3    3  -0.000192   0.063170   0.060935
+    1SOL     O4    4  -0.091250  -0.092663  -0.063731
+    1SOL     H5    5  -0.025205  -0.153391  -0.030375
+    1SOL     H6    6  -0.062382  -0.072305  -0.152694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066588  -0.029493  -0.117893
+    0SOL     H2    2  -0.016500  -0.044587  -0.198053
+    0SOL     H3    3  -0.143559  -0.085701  -0.126747
+    1SOL     O4    4   0.075537   0.032858   0.125373
+    1SOL     H5    5   0.027363   0.005621   0.047273
+    1SOL     H6    6   0.010892   0.079441   0.178415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133188   0.027339   0.069759
+    0SOL     H2    2  -0.107506  -0.026896  -0.004815
+    0SOL     H3    3  -0.050725   0.048747   0.113393
+    1SOL     O4    4   0.129275  -0.022682  -0.062602
+    1SOL     H5    5   0.100115   0.023168  -0.141404
+    1SOL     H6    6   0.112735  -0.115125  -0.081118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026856   0.034286   0.135012
+    0SOL     H2    2  -0.039985   0.057766   0.199380
+    0SOL     H3    3   0.067843  -0.044537   0.170639
+    1SOL     O4    4  -0.026438  -0.027895  -0.146225
+    1SOL     H5    5  -0.011927  -0.122212  -0.138738
+    1SOL     H6    6  -0.024099   0.003983  -0.055999
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058546   0.020102  -0.127050
+    0SOL     H2    2  -0.076943   0.088724  -0.191197
+    0SOL     H3    3   0.008647  -0.034060  -0.168451
+    1SOL     O4    4   0.058538  -0.017892   0.138893
+    1SOL     H5    5   0.032403  -0.109678   0.131503
+    1SOL     H6    6   0.032618   0.021232   0.055468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008056   0.052507   0.140040
+    0SOL     H2    2  -0.008899   0.020707   0.051363
+    0SOL     H3    3  -0.077460   0.081326   0.171961
+    1SOL     O4    4   0.001851  -0.048185  -0.132275
+    1SOL     H5    5   0.034474  -0.130485  -0.168675
+    1SOL     H6    6  -0.086083  -0.038915  -0.168937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006987  -0.104575  -0.094161
+    0SOL     H2    2  -0.016708  -0.189778  -0.057537
+    0SOL     H3    3  -0.022004  -0.108722  -0.185290
+    1SOL     O4    4  -0.008924   0.107908   0.101783
+    1SOL     H5    5   0.040334   0.189978   0.102474
+    1SOL     H6    6   0.027856   0.058459   0.028541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036724   0.117888  -0.092781
+    0SOL     H2    2   0.042784   0.070432  -0.009874
+    0SOL     H3    3   0.029384   0.049343  -0.159188
+    1SOL     O4    4  -0.030509  -0.109952   0.092595
+    1SOL     H5    5  -0.077369  -0.168533   0.033142
+    1SOL     H6    6  -0.099559  -0.063494   0.139882
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023209  -0.139562  -0.049874
+    0SOL     H2    2   0.035648  -0.046220  -0.067044
+    0SOL     H3    3  -0.004429  -0.175960  -0.133979
+    1SOL     O4    4  -0.017330   0.133144   0.052430
+    1SOL     H5    5  -0.022180   0.224710   0.079899
+    1SOL     H6    6  -0.100971   0.095439   0.079722
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067685   0.125514  -0.015461
+    0SOL     H2    2   0.128801   0.190340  -0.050458
+    0SOL     H3    3   0.018291   0.172805   0.051518
+    1SOL     O4    4  -0.070713  -0.136489   0.009566
+    1SOL     H5    5  -0.020998  -0.057722  -0.012489
+    1SOL     H6    6  -0.077928  -0.134379   0.104991
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060193  -0.026810   0.139549
+    0SOL     H2    2  -0.127637  -0.087009   0.108090
+    0SOL     H3    3  -0.006341  -0.008722   0.062509
+    1SOL     O4    4   0.056789   0.024505  -0.136556
+    1SOL     H5    5   0.151384   0.018506  -0.123212
+    1SOL     H6    6   0.031759   0.106679  -0.094329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047271   0.082264   0.116246
+    0SOL     H2    2   0.133594   0.103516   0.080763
+    0SOL     H3    3  -0.013248   0.137645   0.066924
+    1SOL     O4    4  -0.052114  -0.092484  -0.112182
+    1SOL     H5    5  -0.052333  -0.017235  -0.171340
+    1SOL     H6    6   0.001087  -0.064341  -0.037750
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035042   0.039811   0.138074
+    0SOL     H2    2  -0.045829  -0.053472   0.156629
+    0SOL     H3    3  -0.123608   0.075732   0.143371
+    1SOL     O4    4   0.044156  -0.041979  -0.141162
+    1SOL     H5    5   0.052265   0.010860  -0.061760
+    1SOL     H6    6  -0.027964  -0.001707  -0.189527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009278  -0.067991  -0.128340
+    0SOL     H2    2   0.021191  -0.104391  -0.211460
+    0SOL     H3    3  -0.064907   0.005765  -0.153394
+    1SOL     O4    4   0.010676   0.072104   0.136785
+    1SOL     H5    5  -0.003722  -0.008979   0.185576
+    1SOL     H6    6   0.026172   0.043511   0.046759
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015832  -0.133438  -0.056135
+    0SOL     H2    2   0.073672  -0.175277  -0.119904
+    0SOL     H3    3  -0.068568  -0.176979  -0.068097
+    1SOL     O4    4  -0.019097   0.141199   0.056854
+    1SOL     H5    5   0.016774   0.158779   0.143840
+    1SOL     H6    6   0.029018   0.064365   0.026132
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033674   0.118673   0.095475
+    0SOL     H2    2   0.007024   0.044076   0.051416
+    0SOL     H3    3  -0.028667   0.097187   0.188618
+    1SOL     O4    4   0.031563  -0.117658  -0.093394
+    1SOL     H5    5  -0.045865  -0.104195  -0.148037
+    1SOL     H6    6   0.092995  -0.049938  -0.121718
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041712  -0.136019  -0.040974
+    0SOL     H2    2  -0.023750  -0.186456   0.007328
+    0SOL     H3    3   0.069990  -0.194502  -0.111277
+    1SOL     O4    4  -0.039793   0.146533   0.048182
+    1SOL     H5    5   0.024143   0.078637   0.026627
+    1SOL     H6    6  -0.101221   0.145824  -0.025224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003602   0.063751  -0.133730
+    0SOL     H2    2  -0.033799   0.130596  -0.195229
+    0SOL     H3    3   0.080037   0.034131  -0.169639
+    1SOL     O4    4  -0.004688  -0.067894   0.143247
+    1SOL     H5    5   0.089313  -0.070596   0.161098
+    1SOL     H6    6  -0.011315  -0.031492   0.054967
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.143110  -0.061031  -0.044548
+    0SOL     H2    2   0.071413  -0.011803  -0.004567
+    0SOL     H3    3   0.100390  -0.135415  -0.087026
+    1SOL     O4    4  -0.135794   0.069295   0.044672
+    1SOL     H5    5  -0.125420   0.009277   0.118513
+    1SOL     H6    6  -0.168791   0.014375  -0.026442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.130275  -0.054629   0.083473
+    0SOL     H2    2   0.073550  -0.011559   0.019523
+    0SOL     H3    3   0.120618  -0.002423   0.163120
+    1SOL     O4    4  -0.120229   0.046922  -0.084217
+    1SOL     H5    5  -0.197243  -0.002552  -0.056228
+    1SOL     H6    6  -0.154881   0.131898  -0.111432
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001533   0.060357  -0.152519
+    0SOL     H2    2  -0.020683   0.012423  -0.072700
+    0SOL     H3    3  -0.037474   0.008808  -0.223112
+    1SOL     O4    4  -0.002863  -0.058273   0.147761
+    1SOL     H5    5  -0.020565   0.006415   0.216058
+    1SOL     H6    6   0.092137  -0.069830   0.149696
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017805   0.124024   0.101572
+    0SOL     H2    2  -0.034523   0.175232   0.180696
+    0SOL     H3    3  -0.046192   0.035381   0.123911
+    1SOL     O4    4   0.022191  -0.125201  -0.101634
+    1SOL     H5    5  -0.065421  -0.101141  -0.131761
+    1SOL     H6    6   0.080829  -0.092704  -0.169955
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003664   0.133024  -0.098322
+    0SOL     H2    2   0.020671   0.135417  -0.190866
+    0SOL     H3    3  -0.001910   0.040095  -0.075442
+    1SOL     O4    4   0.005062  -0.120991   0.103142
+    1SOL     H5    5   0.045165  -0.204408   0.127546
+    1SOL     H6    6  -0.080557  -0.144983   0.067699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059411   0.140302  -0.060371
+    0SOL     H2    2  -0.127763   0.106483  -0.002522
+    0SOL     H3    3  -0.107135   0.180946  -0.132709
+    1SOL     O4    4   0.067123  -0.146973   0.062657
+    1SOL     H5    5  -0.010404  -0.091673   0.052969
+    1SOL     H6    6   0.140866  -0.087610   0.048504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112968  -0.067645  -0.106195
+    0SOL     H2    2  -0.036607  -0.085715  -0.161010
+    0SOL     H3    3  -0.114106  -0.138964  -0.042362
+    1SOL     O4    4   0.113768   0.068912   0.106221
+    1SOL     H5    5   0.099914   0.159019   0.135397
+    1SOL     H6    6   0.031866   0.044847   0.062917
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060929  -0.083165   0.133454
+    0SOL     H2    2   0.136211  -0.096829   0.190972
+    0SOL     H3    3   0.028587  -0.171325   0.114904
+    1SOL     O4    4  -0.067663   0.093583  -0.133466
+    1SOL     H5    5  -0.061951   0.052988  -0.219963
+    1SOL     H6    6   0.001506   0.051358  -0.082523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130705  -0.107145   0.040124
+    0SOL     H2    2  -0.042098  -0.105160   0.076278
+    0SOL     H3    3  -0.148657  -0.200051   0.025684
+    1SOL     O4    4   0.126241   0.110910  -0.047962
+    1SOL     H5    5   0.077976   0.177739   0.000686
+    1SOL     H6    6   0.180322   0.067544   0.018045
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023568   0.086925  -0.157743
+    0SOL     H2    2  -0.046675   0.034314  -0.119530
+    0SOL     H3    3   0.086273   0.098697  -0.086386
+    1SOL     O4    4  -0.018297  -0.085382   0.147276
+    1SOL     H5    5  -0.045164  -0.008264   0.197208
+    1SOL     H6    6  -0.078445  -0.154331   0.175396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.144620   0.031128   0.101184
+    0SOL     H2    2  -0.107079  -0.047281   0.141248
+    0SOL     H3    3  -0.073560   0.095240   0.102736
+    1SOL     O4    4   0.139825  -0.031397  -0.109810
+    1SOL     H5    5   0.138951  -0.093137  -0.036668
+    1SOL     H6    6   0.118032   0.052994  -0.070242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.150397   0.019577   0.087459
+    0SOL     H2    2  -0.239106   0.022524   0.123298
+    0SOL     H3    3  -0.125110   0.111450   0.078399
+    1SOL     O4    4   0.151625  -0.030098  -0.092000
+    1SOL     H5    5   0.242880  -0.001209  -0.092451
+    1SOL     H6    6   0.106311   0.034373  -0.037663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061567  -0.162490   0.062367
+    0SOL     H2    2  -0.115757  -0.202273  -0.005773
+    0SOL     H3    3  -0.049828  -0.071877   0.033839
+    1SOL     O4    4   0.061505   0.157426  -0.050564
+    1SOL     H5    5   0.059118   0.109334  -0.133292
+    1SOL     H6    6   0.104369   0.240239  -0.072175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118434  -0.122031  -0.051980
+    0SOL     H2    2   0.202474  -0.077395  -0.041626
+    0SOL     H3    3   0.124134  -0.164357  -0.137644
+    1SOL     O4    4  -0.120050   0.117650   0.052097
+    1SOL     H5    5  -0.189739   0.178605   0.027804
+    1SOL     H6    6  -0.105848   0.133401   0.145438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014340   0.150038  -0.114713
+    0SOL     H2    2   0.055361   0.141920  -0.028611
+    0SOL     H3    3  -0.064292   0.095749  -0.109049
+    1SOL     O4    4  -0.009217  -0.139590   0.109528
+    1SOL     H5    5   0.028858  -0.223279   0.136152
+    1SOL     H6    6  -0.097496  -0.161735   0.079884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042105  -0.178752   0.010686
+    0SOL     H2    2   0.018137  -0.136288  -0.071683
+    0SOL     H3    3   0.134703  -0.200676   0.000327
+    1SOL     O4    4  -0.047960   0.176111   0.001227
+    1SOL     H5    5   0.040482   0.172034  -0.035156
+    1SOL     H6    6  -0.102875   0.203581  -0.072204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051480  -0.129458  -0.110379
+    0SOL     H2    2  -0.009610  -0.214744  -0.122020
+    0SOL     H3    3  -0.103471  -0.117206  -0.189809
+    1SOL     O4    4   0.050084   0.131165   0.121374
+    1SOL     H5    5   0.119019   0.097417   0.064178
+    1SOL     H6    6   0.015085   0.206997   0.074611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108267  -0.063829  -0.140597
+    0SOL     H2    2   0.102212   0.000229  -0.211465
+    0SOL     H3    3   0.105580  -0.011398  -0.060559
+    1SOL     O4    4  -0.105178   0.052464   0.145178
+    1SOL     H5    5  -0.139377   0.027304   0.059389
+    1SOL     H6    6  -0.113488   0.147799   0.147309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005787  -0.129997  -0.136805
+    0SOL     H2    2   0.059012  -0.063061  -0.114828
+    0SOL     H3    3  -0.024280  -0.115926  -0.229661
+    1SOL     O4    4   0.001715   0.128043   0.146973
+    1SOL     H5    5   0.072737   0.068565   0.122879
+    1SOL     H6    6  -0.045801   0.143034   0.065242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008430   0.164787  -0.112447
+    0SOL     H2    2  -0.047995   0.092827  -0.084159
+    0SOL     H3    3   0.077830   0.168172  -0.046611
+    1SOL     O4    4  -0.009684  -0.162841   0.100712
+    1SOL     H5    5  -0.063157  -0.095248   0.142355
+    1SOL     H6    6   0.048293  -0.193826   0.170289
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137547  -0.022469   0.143492
+    0SOL     H2    2  -0.166579  -0.051286   0.056953
+    0SOL     H3    3  -0.137321   0.073101   0.138137
+    1SOL     O4    4   0.134147   0.022801  -0.138102
+    1SOL     H5    5   0.127944  -0.069714  -0.114336
+    1SOL     H6    6   0.226946   0.036518  -0.157143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065293   0.022195  -0.182198
+    0SOL     H2    2  -0.096729   0.016852  -0.272451
+    0SOL     H3    3  -0.012927  -0.057041  -0.170294
+    1SOL     O4    4   0.069114  -0.013103   0.183984
+    1SOL     H5    5  -0.021321  -0.021187   0.153677
+    1SOL     H6    6   0.074225  -0.071066   0.259987
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076301  -0.005479   0.182121
+    0SOL     H2    2   0.015992   0.012931   0.164648
+    0SOL     H3    3  -0.077446  -0.039670   0.271519
+    1SOL     O4    4   0.076489   0.003652  -0.183253
+    1SOL     H5    5  -0.008239   0.028080  -0.146012
+    1SOL     H6    6   0.069598   0.026886  -0.275854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034627  -0.196354   0.042810
+    0SOL     H2    2  -0.009246  -0.188091   0.134733
+    0SOL     H3    3   0.045153  -0.176061  -0.006033
+    1SOL     O4    4   0.024565   0.194770  -0.040127
+    1SOL     H5    5   0.063179   0.118725  -0.083584
+    1SOL     H6    6   0.064216   0.270111  -0.083874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012675   0.125791  -0.162961
+    0SOL     H2    2   0.008056   0.202908  -0.106445
+    0SOL     H3    3   0.056400   0.059478  -0.109548
+    1SOL     O4    4  -0.012735  -0.120934   0.155050
+    1SOL     H5    5  -0.094143  -0.168522   0.138607
+    1SOL     H6    6   0.035692  -0.176580   0.216047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091738  -0.045406   0.193842
+    0SOL     H2    2  -0.113025   0.047564   0.185732
+    0SOL     H3    3  -0.010173  -0.055716   0.144820
+    1SOL     O4    4   0.086420   0.034481  -0.192210
+    1SOL     H5    5   0.038152   0.116569  -0.182504
+    1SOL     H6    6   0.177263   0.057626  -0.172868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054747   0.147666  -0.154519
+    0SOL     H2    2   0.147337   0.163856  -0.136429
+    0SOL     H3    3   0.039992   0.057671  -0.125441
+    1SOL     O4    4  -0.057486  -0.145654   0.158355
+    1SOL     H5    5  -0.138106  -0.104546   0.127163
+    1SOL     H6    6  -0.002008  -0.151741   0.080589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038230  -0.216948   0.066241
+    0SOL     H2    2  -0.027232  -0.283035  -0.002125
+    0SOL     H3    3   0.043420  -0.167015   0.064709
+    1SOL     O4    4   0.033872   0.212357  -0.059114
+    1SOL     H5    5   0.003655   0.295007  -0.021454
+    1SOL     H6    6   0.048526   0.232075  -0.151628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115622   0.094672   0.176623
+    0SOL     H2    2  -0.142126   0.179944   0.142150
+    0SOL     H3    3  -0.186827   0.035639   0.151982
+    1SOL     O4    4   0.114347  -0.097895  -0.173651
+    1SOL     H5    5   0.189756  -0.149617  -0.201947
+    1SOL     H6    6   0.152290  -0.017208  -0.138835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062609  -0.012979  -0.252458
+    0SOL     H2    2   0.030259  -0.018778  -0.230004
+    0SOL     H3    3  -0.107904  -0.015904  -0.168184
+    1SOL     O4    4   0.055441   0.012526   0.241567
+    1SOL     H5    5   0.134229   0.066739   0.237606
+    1SOL     H6    6   0.056886  -0.025532   0.329384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108560  -0.217631  -0.110899
+    0SOL     H2    2  -0.045401  -0.236670  -0.041540
+    0SOL     H3    3  -0.127969  -0.124448  -0.100766
+    1SOL     O4    4   0.103265   0.210187   0.100671
+    1SOL     H5    5   0.191565   0.245538   0.111436
+    1SOL     H6    6   0.062314   0.221369   0.186464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019142   0.199860  -0.165017
+    0SOL     H2    2  -0.027086   0.251468  -0.245240
+    0SOL     H3    3  -0.048746   0.112271  -0.189797
+    1SOL     O4    4   0.020772  -0.201220   0.177241
+    1SOL     H5    5   0.027014  -0.237893   0.089045
+    1SOL     H6    6   0.022771  -0.106439   0.164017
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075462   0.153844  -0.210074
+    0SOL     H2    2   0.042467   0.068067  -0.183317
+    0SOL     H3    3   0.142724   0.174950  -0.145323
+    1SOL     O4    4  -0.079143  -0.143584   0.204990
+    1SOL     H5    5  -0.017524  -0.187998   0.263237
+    1SOL     H6    6  -0.108785  -0.211882   0.144831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075042   0.239189  -0.084493
+    0SOL     H2    2  -0.107447   0.316413  -0.038138
+    0SOL     H3    3  -0.038112   0.273726  -0.165768
+    1SOL     O4    4   0.068512  -0.246915   0.089146
+    1SOL     H5    5   0.151294  -0.233288   0.135230
+    1SOL     H6    6   0.090299  -0.235152  -0.003316
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012129   0.014482  -0.294460
+    0SOL     H2    2   0.007737   0.028624  -0.201899
+    0SOL     H3    3  -0.099766  -0.024015  -0.294587
+    1SOL     O4    4   0.019256  -0.008292   0.292053
+    1SOL     H5    5   0.032979  -0.038240   0.202181
+    1SOL     H6    6  -0.051495  -0.063573   0.325231
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016810   0.274103   0.087057
+    0SOL     H2    2   0.076203   0.321254   0.145464
+    0SOL     H3    3   0.061098   0.274710   0.002201
+    1SOL     O4    4  -0.023991  -0.273769  -0.080071
+    1SOL     H5    5   0.037897  -0.345254  -0.094971
+    1SOL     H6    6  -0.062704  -0.257232  -0.166038
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011856  -0.144404  -0.259952
+    0SOL     H2    2   0.067618  -0.186406  -0.227056
+    0SOL     H3    3  -0.049528  -0.101029  -0.183390
+    1SOL     O4    4   0.008349   0.145187   0.259711
+    1SOL     H5    5   0.086405   0.157487   0.205691
+    1SOL     H6    6  -0.059842   0.119171   0.197780
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062534  -0.156171   0.250177
+    0SOL     H2    2  -0.143906  -0.180046   0.205783
+    0SOL     H3    3   0.006662  -0.188303   0.192370
+    1SOL     O4    4   0.060983   0.164030  -0.240923
+    1SOL     H5    5   0.131469   0.102673  -0.220200
+    1SOL     H6    6   0.031186   0.137819  -0.328029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044435  -0.281962   0.066548
+    0SOL     H2    2   0.077562  -0.307647   0.152601
+    0SOL     H3    3   0.015546  -0.363961   0.026499
+    1SOL     O4    4  -0.041730   0.283464  -0.073073
+    1SOL     H5    5  -0.025982   0.296620   0.020422
+    1SOL     H6    6  -0.111883   0.344966  -0.094481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079346   0.288367   0.108024
+    0SOL     H2    2  -0.043205   0.319523   0.025046
+    0SOL     H3    3  -0.032742   0.206560   0.125290
+    1SOL     O4    4   0.072472  -0.289966  -0.108210
+    1SOL     H5    5   0.081010  -0.293092  -0.012923
+    1SOL     H6    6   0.103721  -0.202745  -0.132256
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040155  -0.237250   0.214269
+    0SOL     H2    2  -0.005186  -0.249750   0.302491
+    0SOL     H3    3  -0.032896  -0.323382   0.173149
+    1SOL     O4    4   0.043523   0.243137  -0.213642
+    1SOL     H5    5   0.002619   0.313623  -0.263849
+    1SOL     H6    6  -0.016854   0.169363  -0.222271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041631   0.109486   0.314241
+    0SOL     H2    2   0.131260   0.110646   0.347821
+    0SOL     H3    3  -0.008446   0.160716   0.377724
+    1SOL     O4    4  -0.047112  -0.112690  -0.326210
+    1SOL     H5    5  -0.089491  -0.117419  -0.240513
+    1SOL     H6    6   0.046381  -0.107044  -0.306470
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.087612  -0.219731  -0.273670
+    0SOL     H2    2   0.007934  -0.263322  -0.303897
+    0SOL     H3    3   0.065157  -0.126688  -0.272665
+    1SOL     O4    4  -0.077786   0.217964   0.280433
+    1SOL     H5    5  -0.079335   0.267636   0.198624
+    1SOL     H6    6  -0.146504   0.152173   0.269867
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141296   0.292358  -0.152145
+    0SOL     H2    2  -0.133168   0.346471  -0.073608
+    0SOL     H3    3  -0.235437   0.277916  -0.161700
+    1SOL     O4    4   0.142918  -0.290918   0.143728
+    1SOL     H5    5   0.129901  -0.383748   0.163104
+    1SOL     H6    6   0.215972  -0.264722   0.199757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130266   0.303844  -0.232393
+    0SOL     H2    2  -0.131892   0.348462  -0.147724
+    0SOL     H3    3  -0.182678   0.359588  -0.289907
+    1SOL     O4    4   0.134611  -0.311698   0.236529
+    1SOL     H5    5   0.050375  -0.280366   0.203591
+    1SOL     H6    6   0.193775  -0.304716   0.161607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012886  -0.411722   0.448414
+    0SOL     H2    2  -0.049997  -0.399874   0.519601
+    0SOL     H3    3   0.098135  -0.414253   0.491870
+    1SOL     O4    4  -0.011207   0.407063  -0.459450
+    1SOL     H5    5  -0.034671   0.386775  -0.368895
+    1SOL     H6    6  -0.039082   0.497810  -0.471710
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.274987   0.531579   0.416573
+    0SOL     H2    2   0.214745   0.483969   0.473727
+    0SOL     H3    3   0.271973   0.483999   0.333570
+    1SOL     O4    4  -0.270243  -0.522733  -0.420815
+    1SOL     H5    5  -0.231583  -0.607155  -0.397561
+    1SOL     H6    6  -0.332424  -0.504586  -0.350342
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025612   0.125597  -0.014492
+    0SOL     H2    2   0.032519   0.105777  -0.087911
+    0SOL     H3    3  -0.015169   0.219686  -0.000335
+    1SOL     O4    4   0.025161  -0.133397   0.021680
+    1SOL     H5    5  -0.030028  -0.159461  -0.052057
+    1SOL     H6    6   0.013096  -0.038677   0.028383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058597  -0.004619   0.124252
+    0SOL     H2    2   0.015090  -0.018818   0.183673
+    0SOL     H3    3  -0.018016   0.010603   0.038907
+    1SOL     O4    4   0.050857   0.009013  -0.117859
+    1SOL     H5    5   0.113560  -0.063091  -0.123491
+    1SOL     H6    6  -0.001246   0.001810  -0.197832
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119972  -0.019135   0.066746
+    0SOL     H2    2  -0.085594   0.017269   0.148325
+    0SOL     H3    3  -0.046967  -0.013109   0.005133
+    1SOL     O4    4   0.110705   0.018512  -0.062359
+    1SOL     H5    5   0.082186   0.035685  -0.152103
+    1SOL     H6    6   0.188589  -0.036293  -0.072000
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098691   0.084190   0.007529
+    0SOL     H2    2  -0.091239   0.177187  -0.013882
+    0SOL     H3    3  -0.115920   0.082544   0.101671
+    1SOL     O4    4   0.100510  -0.096138  -0.013284
+    1SOL     H5    5   0.163310  -0.030669   0.017252
+    1SOL     H6    6   0.016723  -0.049901  -0.015327
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010662   0.120481   0.046593
+    0SOL     H2    2   0.023229   0.178219   0.121897
+    0SOL     H3    3  -0.004034   0.179888  -0.027009
+    1SOL     O4    4  -0.015835  -0.131393  -0.048507
+    1SOL     H5    5   0.076658  -0.155785  -0.052015
+    1SOL     H6    6  -0.015730  -0.041580  -0.015402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044055  -0.124192   0.010558
+    0SOL     H2    2   0.005146  -0.175239   0.081570
+    0SOL     H3    3   0.025389  -0.174888  -0.068460
+    1SOL     O4    4  -0.039777   0.136494  -0.009957
+    1SOL     H5    5  -0.124092   0.092492  -0.020779
+    1SOL     H6    6   0.022919   0.065353   0.003100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070287   0.084615  -0.074530
+    0SOL     H2    2   0.056026   0.066465  -0.167426
+    0SOL     H3    3   0.029783   0.170166  -0.060298
+    1SOL     O4    4  -0.070639  -0.088167   0.084677
+    1SOL     H5    5  -0.018499  -0.024113   0.036295
+    1SOL     H6    6  -0.058291  -0.170179   0.036887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017230   0.129859  -0.009845
+    0SOL     H2    2  -0.032693   0.162534   0.065004
+    0SOL     H3    3   0.073593   0.203057  -0.034897
+    1SOL     O4    4  -0.023328  -0.138105   0.008681
+    1SOL     H5    5   0.004155  -0.046620   0.002572
+    1SOL     H6    6   0.054842  -0.188246  -0.014510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072281  -0.120851  -0.008760
+    0SOL     H2    2   0.015420  -0.048105   0.016482
+    0SOL     H3    3   0.011997  -0.190885  -0.033728
+    1SOL     O4    4  -0.061995   0.121484   0.002536
+    1SOL     H5    5  -0.031674   0.134592   0.092375
+    1SOL     H6    6  -0.153084   0.093562   0.011783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.117107   0.071235   0.031284
+    0SOL     H2    2  -0.143158   0.146087  -0.022389
+    0SOL     H3    3  -0.041334   0.034363  -0.014117
+    1SOL     O4    4   0.110830  -0.068387  -0.023428
+    1SOL     H5    5   0.190688  -0.072000  -0.076076
+    1SOL     H6    6   0.092496  -0.159701  -0.001338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040028  -0.030372  -0.132698
+    0SOL     H2    2   0.001549  -0.038089  -0.045393
+    0SOL     H3    3   0.120124  -0.082602  -0.128324
+    1SOL     O4    4  -0.036809   0.033054   0.123339
+    1SOL     H5    5  -0.096228   0.108087   0.124661
+    1SOL     H6    6  -0.073876  -0.028037   0.187027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076629  -0.013130  -0.118932
+    0SOL     H2    2   0.126525   0.068230  -0.126237
+    0SOL     H3    3   0.026089  -0.003126  -0.038260
+    1SOL     O4    4  -0.070964   0.008852   0.111093
+    1SOL     H5    5  -0.157302   0.049426   0.103230
+    1SOL     H6    6  -0.080984  -0.055490   0.181249
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066770   0.013572   0.123470
+    0SOL     H2    2   0.113345  -0.063707   0.155424
+    0SOL     H3    3   0.039185  -0.009959   0.034882
+    1SOL     O4    4  -0.063446  -0.009195  -0.114945
+    1SOL     H5    5  -0.044801   0.040561  -0.194564
+    1SOL     H6    6  -0.156713  -0.029896  -0.120872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085802  -0.085087   0.054775
+    0SOL     H2    2  -0.150278  -0.061948   0.121630
+    0SOL     H3    3  -0.132478  -0.144435  -0.004060
+    1SOL     O4    4   0.094217   0.090245  -0.060443
+    1SOL     H5    5   0.135945   0.088805   0.025690
+    1SOL     H6    6   0.017580   0.033689  -0.050930
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053998   0.076969  -0.105987
+    0SOL     H2    2  -0.026646   0.014809  -0.038531
+    0SOL     H3    3  -0.133776   0.038932  -0.142743
+    1SOL     O4    4   0.059590  -0.072682   0.097698
+    1SOL     H5    5   0.102171  -0.019789   0.165163
+    1SOL     H6    6  -0.023673  -0.099046   0.136869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112773  -0.047404   0.053115
+    0SOL     H2    2   0.185518  -0.078059  -0.001021
+    0SOL     H3    3   0.099688  -0.117086   0.117423
+    1SOL     O4    4  -0.119099   0.050690  -0.059618
+    1SOL     H5    5  -0.039208   0.021220  -0.015899
+    1SOL     H6    6  -0.151178   0.122538  -0.005110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035439  -0.037733   0.122955
+    0SOL     H2    2  -0.013359   0.009946   0.202965
+    0SOL     H3    3  -0.030706  -0.130016   0.147931
+    1SOL     O4    4   0.037602   0.041413  -0.134192
+    1SOL     H5    5  -0.049140   0.076953  -0.114827
+    1SOL     H6    6   0.056666  -0.016779  -0.060622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137787   0.032504  -0.003776
+    0SOL     H2    2   0.192242   0.014426  -0.080393
+    0SOL     H3    3   0.051772  -0.002743  -0.026612
+    1SOL     O4    4  -0.133527  -0.026830   0.003109
+    1SOL     H5    5  -0.160984  -0.117361   0.017686
+    1SOL     H6    6  -0.146905   0.016200   0.087559
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040514   0.107894   0.072281
+    0SOL     H2    2  -0.028742   0.192106   0.028327
+    0SOL     H3    3  -0.135400   0.097880   0.079945
+    1SOL     O4    4   0.040006  -0.113739  -0.073736
+    1SOL     H5    5   0.125420  -0.156920  -0.075245
+    1SOL     H6    6   0.050610  -0.041738  -0.011562
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115629  -0.023653   0.068778
+    0SOL     H2    2  -0.167538   0.015213  -0.001630
+    0SOL     H3    3  -0.143691   0.022702   0.147683
+    1SOL     O4    4   0.125449   0.018367  -0.065048
+    1SOL     H5    5   0.125552   0.039280  -0.158456
+    1SOL     H6    6   0.033287   0.003521  -0.043881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006631   0.028087   0.130678
+    0SOL     H2    2  -0.022788   0.115557   0.156090
+    0SOL     H3    3   0.068906   0.002954   0.198887
+    1SOL     O4    4  -0.009066  -0.037088  -0.140572
+    1SOL     H5    5  -0.005475   0.056573  -0.159986
+    1SOL     H6    6  -0.003687  -0.042038  -0.045132
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062426   0.032863   0.125577
+    0SOL     H2    2   0.108594  -0.043687   0.159795
+    0SOL     H3    3   0.027501   0.004103   0.041224
+    1SOL     O4    4  -0.057879  -0.023724  -0.119209
+    1SOL     H5    5  -0.083196  -0.008948  -0.210331
+    1SOL     H6    6  -0.118723  -0.090681  -0.087952
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092161   0.086333  -0.048862
+    0SOL     H2    2   0.139909   0.073776  -0.130866
+    0SOL     H3    3   0.153148   0.134125   0.007342
+    1SOL     O4    4  -0.098041  -0.092319   0.055598
+    1SOL     H5    5  -0.029993  -0.033303   0.023213
+    1SOL     H6    6  -0.170677  -0.081146  -0.005733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018983   0.030069  -0.134106
+    0SOL     H2    2  -0.026836   0.104080  -0.173921
+    0SOL     H3    3   0.105411   0.064582  -0.111714
+    1SOL     O4    4  -0.022293  -0.038538   0.141354
+    1SOL     H5    5   0.051577  -0.063919   0.086024
+    1SOL     H6    6  -0.073445   0.021449   0.087063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070522  -0.089900  -0.092619
+    0SOL     H2    2   0.046171  -0.046297  -0.174277
+    0SOL     H3    3   0.021319  -0.043370  -0.024970
+    1SOL     O4    4  -0.062853   0.079216   0.095080
+    1SOL     H5    5  -0.035949   0.170986   0.099163
+    1SOL     H6    6  -0.150460   0.081580   0.056586
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018510   0.064689  -0.116792
+    0SOL     H2    2  -0.083390   0.075452  -0.186341
+    0SOL     H3    3   0.060903   0.105269  -0.151564
+    1SOL     O4    4   0.022840  -0.066129   0.127383
+    1SOL     H5    5  -0.000162  -0.034599   0.039981
+    1SOL     H6    6  -0.044527  -0.130922   0.148020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117398  -0.009566  -0.087236
+    0SOL     H2    2   0.146414  -0.099864  -0.100146
+    0SOL     H3    3   0.047288  -0.015928  -0.022379
+    1SOL     O4    4  -0.112829   0.009195   0.082395
+    1SOL     H5    5  -0.096677   0.050526   0.167208
+    1SOL     H6    6  -0.163282   0.074059   0.033309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065849   0.082924   0.102068
+    0SOL     H2    2   0.002433   0.092726   0.173093
+    0SOL     H3    3   0.032348   0.010013   0.049875
+    1SOL     O4    4  -0.058283  -0.079753  -0.096608
+    1SOL     H5    5  -0.063880  -0.149992  -0.161396
+    1SOL     H6    6  -0.083095  -0.000763  -0.144643
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079037   0.088833   0.089592
+    0SOL     H2    2   0.149736   0.025016   0.099152
+    0SOL     H3    3   0.009377   0.040931   0.044700
+    1SOL     O4    4  -0.083962  -0.078170  -0.083777
+    1SOL     H5    5  -0.015140  -0.046114  -0.142072
+    1SOL     H6    6  -0.074923  -0.173434  -0.086085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060376   0.067363  -0.110000
+    0SOL     H2    2   0.029702   0.097619  -0.121524
+    0SOL     H3    3  -0.109501   0.146327  -0.087334
+    1SOL     O4    4   0.060441  -0.079148   0.111378
+    1SOL     H5    5   0.075245   0.007456   0.149363
+    1SOL     H6    6   0.002381  -0.063119   0.036984
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019342   0.130282   0.064285
+    0SOL     H2    2  -0.034976   0.199853   0.027248
+    0SOL     H3    3   0.032397   0.068954  -0.008038
+    1SOL     O4    4  -0.020174  -0.128551  -0.063736
+    1SOL     H5    5   0.072805  -0.134548  -0.041795
+    1SOL     H6    6  -0.065412  -0.158809   0.015006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033791   0.119127  -0.060434
+    0SOL     H2    2   0.018428   0.185567  -0.105392
+    0SOL     H3    3  -0.115796   0.115678  -0.109684
+    1SOL     O4    4   0.033813  -0.126413   0.071247
+    1SOL     H5    5   0.108711  -0.136468   0.012498
+    1SOL     H6    6  -0.014528  -0.051723   0.035935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069701  -0.041336   0.114993
+    0SOL     H2    2   0.069461  -0.099253   0.191202
+    0SOL     H3    3   0.134178  -0.079945   0.055711
+    1SOL     O4    4  -0.079406   0.049202  -0.117856
+    1SOL     H5    5  -0.052536   0.017585  -0.031597
+    1SOL     H6    6  -0.000796   0.041251  -0.171889
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094897  -0.054062  -0.087440
+    0SOL     H2    2  -0.175644  -0.035986  -0.135560
+    0SOL     H3    3  -0.077515  -0.146777  -0.103698
+    1SOL     O4    4   0.103966   0.055851   0.093669
+    1SOL     H5    5   0.041066   0.019849   0.031141
+    1SOL     H6    6   0.070170   0.143017   0.114217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048822   0.057797   0.121217
+    0SOL     H2    2  -0.131207   0.009400   0.115498
+    0SOL     H3    3  -0.075318   0.148728   0.135065
+    1SOL     O4    4   0.059770  -0.065129  -0.120256
+    1SOL     H5    5   0.029252   0.004405  -0.061981
+    1SOL     H6    6   0.014651  -0.048590  -0.203038
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013366  -0.102956   0.111367
+    0SOL     H2    2  -0.074833  -0.133802   0.090588
+    0SOL     H3    3   0.037292  -0.047085   0.037420
+    1SOL     O4    4  -0.004659   0.104990  -0.101608
+    1SOL     H5    5   0.016590   0.061432  -0.184152
+    1SOL     H6    6  -0.098734   0.091108  -0.090671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095972  -0.063585  -0.088322
+    0SOL     H2    2   0.137587   0.019351  -0.111817
+    0SOL     H3    3   0.046678  -0.088680  -0.166442
+    1SOL     O4    4  -0.093936   0.061150   0.099837
+    1SOL     H5    5  -0.176842   0.089239   0.061109
+    1SOL     H6    6  -0.046767   0.019300   0.027824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019041   0.110046   0.086916
+    0SOL     H2    2  -0.069976   0.142650   0.100154
+    0SOL     H3    3   0.066544   0.137429   0.165376
+    1SOL     O4    4  -0.021167  -0.114533  -0.095798
+    1SOL     H5    5   0.052524  -0.173605  -0.080223
+    1SOL     H6    6  -0.002424  -0.037952  -0.041518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065916  -0.122273   0.045075
+    0SOL     H2    2   0.089598  -0.120880   0.137809
+    0SOL     H3    3  -0.017898  -0.168430   0.042401
+    1SOL     O4    4  -0.064692   0.130349  -0.053563
+    1SOL     H5    5   0.019320   0.084476  -0.053553
+    1SOL     H6    6  -0.117409   0.083893   0.011438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033361   0.113654   0.097813
+    0SOL     H2    2  -0.121138   0.075564   0.100404
+    0SOL     H3    3   0.021985   0.044014   0.062464
+    1SOL     O4    4   0.033116  -0.109090  -0.089822
+    1SOL     H5    5   0.124653  -0.095569  -0.114328
+    1SOL     H6    6  -0.016019  -0.091957  -0.170162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052221  -0.070156   0.114378
+    0SOL     H2    2  -0.056369   0.011981   0.163355
+    0SOL     H3    3  -0.037270  -0.137148   0.181093
+    1SOL     O4    4   0.046940   0.067358  -0.126589
+    1SOL     H5    5   0.127997   0.117862  -0.133024
+    1SOL     H6    6   0.042987   0.039890  -0.034980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102550   0.005560  -0.102391
+    0SOL     H2    2   0.142142   0.086670  -0.070519
+    0SOL     H3    3   0.108131   0.011978  -0.197733
+    1SOL     O4    4  -0.106645  -0.015306   0.110994
+    1SOL     H5    5  -0.145210   0.070561   0.093622
+    1SOL     H6    6  -0.038822  -0.025118   0.044165
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067605  -0.113305  -0.079014
+    0SOL     H2    2  -0.053435  -0.023959  -0.047729
+    0SOL     H3    3  -0.017371  -0.118510  -0.160327
+    1SOL     O4    4   0.067595   0.108412   0.076329
+    1SOL     H5    5   0.092523   0.082828   0.165134
+    1SOL     H6    6  -0.024362   0.133962   0.083635
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015315   0.134396  -0.057186
+    0SOL     H2    2  -0.013911   0.220234  -0.014851
+    0SOL     H3    3   0.054334   0.138806  -0.122699
+    1SOL     O4    4   0.011478  -0.140105   0.065682
+    1SOL     H5    5   0.035908  -0.062892   0.014656
+    1SOL     H6    6  -0.015045  -0.204718   0.000231
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006083  -0.142072   0.064708
+    0SOL     H2    2  -0.012813  -0.059216   0.017254
+    0SOL     H3    3   0.039955  -0.119728   0.145600
+    1SOL     O4    4   0.006351   0.132193  -0.061729
+    1SOL     H5    5   0.014365   0.111699  -0.154885
+    1SOL     H6    6  -0.045911   0.212346  -0.059198
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052631   0.074074   0.127955
+    0SOL     H2    2  -0.104143   0.134419   0.074409
+    0SOL     H3    3   0.002376   0.027242   0.065159
+    1SOL     O4    4   0.051462  -0.072662  -0.114601
+    1SOL     H5    5   0.035275  -0.026531  -0.196894
+    1SOL     H6    6   0.087209  -0.157377  -0.141206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027768  -0.057690  -0.132622
+    0SOL     H2    2  -0.053820  -0.084229  -0.175064
+    0SOL     H3    3   0.092570  -0.057688  -0.203071
+    1SOL     O4    4  -0.024831   0.064872   0.140996
+    1SOL     H5    5   0.005548   0.019636   0.062300
+    1SOL     H6    6  -0.086378   0.003793   0.181537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004875  -0.121036   0.084794
+    0SOL     H2    2  -0.039640  -0.201294   0.111990
+    0SOL     H3    3   0.056627  -0.095268   0.161083
+    1SOL     O4    4  -0.003702   0.130319  -0.089980
+    1SOL     H5    5   0.017043   0.069225  -0.160687
+    1SOL     H6    6  -0.051894   0.077705  -0.026171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153305   0.023866   0.025648
+    0SOL     H2    2   0.193543  -0.062802   0.031299
+    0SOL     H3    3   0.061365   0.006375   0.005562
+    1SOL     O4    4  -0.145409  -0.020796  -0.028205
+    1SOL     H5    5  -0.197539   0.056030  -0.051497
+    1SOL     H6    6  -0.181338  -0.049639   0.055696
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.082734  -0.114123  -0.060756
+    0SOL     H2    2   0.066902  -0.141687   0.029532
+    0SOL     H3    3   0.177454  -0.101219  -0.065650
+    1SOL     O4    4  -0.091400   0.120586   0.056203
+    1SOL     H5    5  -0.075541   0.054999   0.124094
+    1SOL     H6    6  -0.035438   0.093721  -0.016659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024865  -0.106860   0.114504
+    0SOL     H2    2  -0.094906  -0.168846   0.094151
+    0SOL     H3    3  -0.029662  -0.041479   0.044757
+    1SOL     O4    4   0.030071   0.109079  -0.102877
+    1SOL     H5    5   0.096924   0.093680  -0.169628
+    1SOL     H6    6  -0.052744   0.090407  -0.147097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054822  -0.032853   0.149526
+    0SOL     H2    2   0.120881  -0.100850   0.136295
+    0SOL     H3    3   0.038403   0.002026   0.061912
+    1SOL     O4    4  -0.056084   0.036885  -0.136907
+    1SOL     H5    5  -0.021405   0.068190  -0.220452
+    1SOL     H6    6  -0.121284  -0.028881  -0.161118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015630   0.014176  -0.164162
+    0SOL     H2    2  -0.102821   0.045720  -0.140388
+    0SOL     H3    3   0.020094  -0.021269  -0.082739
+    1SOL     O4    4   0.021549  -0.009505   0.154327
+    1SOL     H5    5   0.064905  -0.087257   0.189501
+    1SOL     H6    6  -0.068605  -0.015979   0.185834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127809  -0.032327  -0.086082
+    0SOL     H2    2  -0.197629  -0.072874  -0.137497
+    0SOL     H3    3  -0.122342  -0.085648  -0.006777
+    1SOL     O4    4   0.132971   0.039107   0.090542
+    1SOL     H5    5   0.089379   0.094209   0.025535
+    1SOL     H6    6   0.145720  -0.044775   0.046228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084071   0.138864  -0.018855
+    0SOL     H2    2  -0.040156   0.062291  -0.055874
+    0SOL     H3    3  -0.174001   0.132871  -0.051088
+    1SOL     O4    4   0.087670  -0.131413   0.016461
+    1SOL     H5    5   0.146467  -0.142767   0.091136
+    1SOL     H6    6   0.007825  -0.177890   0.041500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042391   0.075104  -0.144605
+    0SOL     H2    2   0.014081   0.133336  -0.093789
+    0SOL     H3    3  -0.110824   0.048448  -0.083215
+    1SOL     O4    4   0.044470  -0.074042   0.144737
+    1SOL     H5    5  -0.036669  -0.114655   0.114253
+    1SOL     H6    6   0.103477  -0.078914   0.069526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070000  -0.042656  -0.146437
+    0SOL     H2    2   0.159188  -0.067839  -0.122488
+    0SOL     H3    3   0.035596  -0.118363  -0.193841
+    1SOL     O4    4  -0.073243   0.040475   0.148058
+    1SOL     H5    5  -0.051223   0.095700   0.073041
+    1SOL     H6    6  -0.086802   0.102081   0.220053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020612  -0.153278  -0.090161
+    0SOL     H2    2  -0.072708  -0.194314  -0.021136
+    0SOL     H3    3  -0.068868  -0.073702  -0.112552
+    1SOL     O4    4   0.021805   0.154624   0.091051
+    1SOL     H5    5   0.117353   0.157573   0.095969
+    1SOL     H6    6   0.003337   0.094889   0.018573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083369   0.158696  -0.048088
+    0SOL     H2    2  -0.089086   0.085331  -0.109301
+    0SOL     H3    3  -0.150128   0.140114   0.017945
+    1SOL     O4    4   0.086062  -0.158614   0.051890
+    1SOL     H5    5   0.097233  -0.164071  -0.043019
+    1SOL     H6    6   0.100310  -0.066222   0.072459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095433  -0.141810   0.075032
+    0SOL     H2    2   0.180047  -0.108888   0.105346
+    0SOL     H3    3   0.042399  -0.063211   0.061925
+    1SOL     O4    4  -0.094933   0.142099  -0.076918
+    1SOL     H5    5  -0.150809   0.109346  -0.006438
+    1SOL     H6    6  -0.079198   0.065777  -0.132503
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045512   0.131523   0.125795
+    0SOL     H2    2  -0.019249   0.112364   0.193627
+    0SOL     H3    3   0.114909   0.067145   0.140001
+    1SOL     O4    4  -0.048955  -0.121228  -0.129167
+    1SOL     H5    5   0.039672  -0.134667  -0.162740
+    1SOL     H6    6  -0.082430  -0.209569  -0.113751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017810   0.134862  -0.124238
+    0SOL     H2    2  -0.043260   0.208525  -0.121681
+    0SOL     H3    3   0.104015   0.175460  -0.133331
+    1SOL     O4    4  -0.018570  -0.144807   0.129522
+    1SOL     H5    5  -0.001938  -0.051281   0.117751
+    1SOL     H6    6  -0.054090  -0.173634   0.045441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012964  -0.182527  -0.058525
+    0SOL     H2    2   0.046193  -0.272282  -0.059947
+    0SOL     H3    3   0.036297  -0.146936  -0.144264
+    1SOL     O4    4  -0.015325   0.180656   0.068433
+    1SOL     H5    5  -0.085510   0.183942   0.003428
+    1SOL     H6    6   0.037572   0.258410   0.050589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107576  -0.164376  -0.016499
+    0SOL     H2    2  -0.176371  -0.214914  -0.059806
+    0SOL     H3    3  -0.144151  -0.142603   0.069236
+    1SOL     O4    4   0.108454   0.165574   0.019167
+    1SOL     H5    5   0.110548   0.131152  -0.070125
+    1SOL     H6    6   0.192475   0.210215   0.029655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116669   0.166366  -0.004738
+    0SOL     H2    2   0.138404   0.232068  -0.070868
+    0SOL     H3    3   0.118418   0.214237   0.078134
+    1SOL     O4    4  -0.116125  -0.175964  -0.001762
+    1SOL     H5    5  -0.114228  -0.080783   0.008210
+    1SOL     H6    6  -0.149232  -0.208220   0.082058
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015939  -0.173268  -0.127114
+    0SOL     H2    2   0.067826  -0.139439  -0.158758
+    0SOL     H3    3  -0.007742  -0.172267  -0.031751
+    1SOL     O4    4   0.013403   0.172056   0.117369
+    1SOL     H5    5   0.025355   0.230424   0.192286
+    1SOL     H6    6  -0.040092   0.100244   0.151190
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025133  -0.065037  -0.203899
+    0SOL     H2    2   0.022041  -0.017121  -0.272024
+    0SOL     H3    3  -0.062557   0.003162  -0.148125
+    1SOL     O4    4   0.026951   0.063279   0.201268
+    1SOL     H5    5   0.044456  -0.029429   0.185109
+    1SOL     H6    6  -0.032231   0.063771   0.276498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041398   0.112128  -0.184442
+    0SOL     H2    2  -0.003575   0.189335  -0.218776
+    0SOL     H3    3   0.126145   0.145053  -0.154505
+    1SOL     O4    4  -0.037999  -0.116861   0.181088
+    1SOL     H5    5  -0.070041  -0.072915   0.259855
+    1SOL     H6    6  -0.104981  -0.182276   0.161172
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102057   0.176976   0.088117
+    0SOL     H2    2   0.100124   0.197136   0.181670
+    0SOL     H3    3   0.191001   0.145382   0.072209
+    1SOL     O4    4  -0.104937  -0.169562  -0.092295
+    1SOL     H5    5  -0.113399  -0.223310  -0.013543
+    1SOL     H6    6  -0.123165  -0.229722  -0.164481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070458  -0.211627  -0.035619
+    0SOL     H2    2   0.062874  -0.297789   0.005379
+    0SOL     H3    3   0.160094  -0.208778  -0.069080
+    1SOL     O4    4  -0.077634   0.221685   0.037813
+    1SOL     H5    5  -0.027967   0.214121  -0.043663
+    1SOL     H6    6  -0.079267   0.132787   0.073265
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011765   0.179995  -0.149044
+    0SOL     H2    2   0.054709   0.173276  -0.217589
+    0SOL     H3    3  -0.090047   0.211110  -0.194498
+    1SOL     O4    4   0.012038  -0.176452   0.150392
+    1SOL     H5    5   0.077740  -0.245971   0.153942
+    1SOL     H6    6  -0.044680  -0.193169   0.225665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.213194   0.060342   0.122765
+    0SOL     H2    2  -0.148096   0.035125   0.188253
+    0SOL     H3    3  -0.240856  -0.022376   0.083333
+    1SOL     O4    4   0.210850  -0.049130  -0.129895
+    1SOL     H5    5   0.244173  -0.138862  -0.129658
+    1SOL     H6    6   0.179010  -0.035119  -0.040720
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.188728   0.073654  -0.148381
+    0SOL     H2    2  -0.271812   0.100856  -0.109402
+    0SOL     H3    3  -0.137199   0.154148  -0.153654
+    1SOL     O4    4   0.189698  -0.081664   0.140682
+    1SOL     H5    5   0.204427  -0.127135   0.223614
+    1SOL     H6    6   0.182916   0.010710   0.164835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063210  -0.224406  -0.121487
+    0SOL     H2    2  -0.042136  -0.302182  -0.069823
+    0SOL     H3    3  -0.001167  -0.158039  -0.091348
+    1SOL     O4    4   0.054260   0.220346   0.115412
+    1SOL     H5    5   0.118561   0.220231   0.186318
+    1SOL     H6    6   0.066604   0.304735   0.071957
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116135  -0.178390   0.175104
+    0SOL     H2    2   0.191817  -0.221730   0.135656
+    0SOL     H3    3   0.040536  -0.217734   0.131524
+    1SOL     O4    4  -0.116493   0.185291  -0.176386
+    1SOL     H5    5  -0.188263   0.166143  -0.116015
+    1SOL     H6    6  -0.037215   0.166407  -0.126180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027169  -0.262236   0.141204
+    0SOL     H2    2   0.032120  -0.229967   0.231185
+    0SOL     H3    3   0.029889  -0.183252   0.087200
+    1SOL     O4    4  -0.026652   0.249515  -0.144408
+    1SOL     H5    5  -0.075694   0.290793  -0.073321
+    1SOL     H6    6   0.007375   0.322763  -0.195781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094681  -0.243427  -0.134215
+    0SOL     H2    2  -0.171149  -0.263499  -0.080251
+    0SOL     H3    3  -0.130943  -0.203690  -0.213388
+    1SOL     O4    4   0.102298   0.239514   0.141474
+    1SOL     H5    5   0.023923   0.273735   0.098477
+    1SOL     H6    6   0.172770   0.254652   0.078491
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101867   0.135034  -0.260265
+    0SOL     H2    2   0.125198   0.217199  -0.303473
+    0SOL     H3    3   0.099139   0.070637  -0.331031
+    1SOL     O4    4  -0.104032  -0.133169   0.273094
+    1SOL     H5    5  -0.074288  -0.222358   0.255120
+    1SOL     H6    6  -0.115744  -0.093887   0.186594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079688  -0.338492  -0.010209
+    0SOL     H2    2  -0.169502  -0.305427  -0.008620
+    0SOL     H3    3  -0.049015  -0.328982   0.079963
+    1SOL     O4    4   0.080527   0.333615  -0.000728
+    1SOL     H5    5   0.086290   0.424791   0.027840
+    1SOL     H6    6   0.124104   0.283962   0.068539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026324   0.332122   0.146667
+    0SOL     H2    2  -0.066002   0.274821   0.081058
+    0SOL     H3    3  -0.050456   0.420539   0.119054
+    1SOL     O4    4   0.031239  -0.331008  -0.147104
+    1SOL     H5    5   0.088852  -0.391170  -0.099949
+    1SOL     H6    6  -0.048079  -0.326909  -0.093679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105741   0.367178   0.025925
+    0SOL     H2    2   0.091594   0.452432   0.067083
+    0SOL     H3    3   0.193669   0.341440   0.053648
+    1SOL     O4    4  -0.107650  -0.375804  -0.025606
+    1SOL     H5    5  -0.172542  -0.308200  -0.006083
+    1SOL     H6    6  -0.080937  -0.358095  -0.115801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.226954  -0.038048   0.350954
+    0SOL     H2    2   0.137801  -0.038143   0.385798
+    0SOL     H3    3   0.268526  -0.114307   0.391187
+    1SOL     O4    4  -0.227690   0.048154  -0.356898
+    1SOL     H5    5  -0.146240   0.010029  -0.389682
+    1SOL     H6    6  -0.258045  -0.013632  -0.290390
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040190   0.267350   0.385557
+    0SOL     H2    2   0.028686   0.317708   0.428944
+    0SOL     H3    3  -0.092673   0.332991   0.339741
+    1SOL     O4    4   0.037766  -0.280996  -0.386648
+    1SOL     H5    5   0.124749  -0.242673  -0.375350
+    1SOL     H6    6  -0.022398  -0.207136  -0.377304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099874   0.462913  -0.270700
+    0SOL     H2    2   0.041086   0.422362  -0.206967
+    0SOL     H3    3   0.092770   0.556816  -0.253548
+    1SOL     O4    4  -0.101290  -0.468764   0.268258
+    1SOL     H5    5  -0.023954  -0.444744   0.319292
+    1SOL     H6    6  -0.082142  -0.437896   0.179699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093852  -0.497495   0.369630
+    0SOL     H2    2   0.145654  -0.495451   0.289164
+    0SOL     H3    3   0.058175  -0.409018   0.377458
+    1SOL     O4    4  -0.095038   0.490088  -0.371490
+    1SOL     H5    5  -0.063689   0.445629  -0.292731
+    1SOL     H6    6  -0.122108   0.576689  -0.340996
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040316   0.525087   0.330955
+    0SOL     H2    2   0.124506   0.542655   0.288935
+    0SOL     H3    3   0.017110   0.607573   0.373614
+    1SOL     O4    4  -0.040161  -0.531273  -0.336455
+    1SOL     H5    5  -0.021508  -0.562350  -0.247863
+    1SOL     H6    6  -0.126702  -0.490885  -0.329996
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.451526   0.267004   0.352013
+    0SOL     H2    2   0.385128   0.198560   0.360322
+    0SOL     H3    3   0.526154   0.223201   0.311095
+    1SOL     O4    4  -0.449691  -0.257084  -0.354773
+    1SOL     H5    5  -0.432689  -0.250724  -0.260790
+    1SOL     H6    6  -0.509740  -0.331131  -0.363342
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.847838  -0.062146   0.371849
+    0SOL     H2    2  -0.807055   0.014916   0.332346
+    0SOL     H3    3  -0.892328  -0.105685   0.299136
+    1SOL     O4    4   0.850278   0.066240  -0.363859
+    1SOL     H5    5   0.887544  -0.019806  -0.344633
+    1SOL     H6    6   0.773601   0.047621  -0.418047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.832912  -0.487341   0.088283
+    0SOL     H2    2  -0.840878  -0.396864   0.058070
+    0SOL     H3    3  -0.759932  -0.485629   0.150197
+    1SOL     O4    4   0.831358   0.488408  -0.088839
+    1SOL     H5    5   0.852421   0.430877  -0.162384
+    1SOL     H6    6   0.768644   0.438491  -0.036517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.830365  -0.093703  -0.570985
+    0SOL     H2    2   0.853110  -0.001639  -0.557978
+    0SOL     H3    3   0.741558  -0.091677  -0.606642
+    1SOL     O4    4  -0.828870   0.090267   0.578919
+    1SOL     H5    5  -0.863139   0.125476   0.496772
+    1SOL     H6    6  -0.758634   0.030987   0.552174
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103488   0.047782  -0.039975
+    0SOL     H2    2  -0.123485   0.099928  -0.117713
+    0SOL     H3    3  -0.182823   0.052793   0.013346
+    1SOL     O4    4   0.110942  -0.058695   0.042665
+    1SOL     H5    5   0.028376  -0.016330   0.019202
+    1SOL     H6    6   0.173658   0.013264   0.049800
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005985   0.110312   0.059429
+    0SOL     H2    2  -0.080606   0.109618   0.119375
+    0SOL     H3    3  -0.016819   0.190663   0.008550
+    1SOL     O4    4   0.008074  -0.118936  -0.063836
+    1SOL     H5    5   0.083654  -0.138583  -0.008483
+    1SOL     H6    6  -0.011499  -0.026959  -0.045963
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090618   0.086929   0.015143
+    0SOL     H2    2   0.085655   0.072828   0.109689
+    0SOL     H3    3   0.182829   0.106588  -0.001381
+    1SOL     O4    4  -0.094080  -0.093645  -0.018133
+    1SOL     H5    5  -0.044205  -0.012529  -0.008389
+    1SOL     H6    6  -0.178558  -0.065777  -0.053477
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021659   0.079718   0.108627
+    0SOL     H2    2   0.022255   0.023274   0.031322
+    0SOL     H3    3   0.088507   0.042417   0.166092
+    1SOL     O4    4  -0.023032  -0.067900  -0.105662
+    1SOL     H5    5  -0.114552  -0.095288  -0.111683
+    1SOL     H6    6   0.027005  -0.146128  -0.128878
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045845   0.003651  -0.119282
+    0SOL     H2    2   0.110580   0.074026  -0.114912
+    0SOL     H3    3   0.065241  -0.041740  -0.201293
+    1SOL     O4    4  -0.057974  -0.006616   0.123319
+    1SOL     H5    5  -0.009487   0.017617   0.202212
+    1SOL     H6    6   0.008075  -0.008058   0.054053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068702  -0.117403  -0.017609
+    0SOL     H2    2  -0.056663  -0.025153   0.004915
+    0SOL     H3    3  -0.099572  -0.158048   0.063369
+    1SOL     O4    4   0.066073   0.110260   0.015233
+    1SOL     H5    5   0.159877   0.103961  -0.002751
+    1SOL     H6    6   0.037201   0.186817  -0.034446
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058819  -0.061560   0.097090
+    0SOL     H2    2   0.033151  -0.143121   0.140117
+    0SOL     H3    3   0.085584  -0.004016   0.168747
+    1SOL     O4    4  -0.055936   0.068482  -0.105214
+    1SOL     H5    5  -0.140523   0.039726  -0.139570
+    1SOL     H6    6  -0.026277  -0.004244  -0.050500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072041   0.105060   0.032605
+    0SOL     H2    2   0.075763   0.058818   0.116331
+    0SOL     H3    3   0.119602   0.186665   0.048125
+    1SOL     O4    4  -0.075628  -0.114025  -0.037532
+    1SOL     H5    5  -0.127037  -0.062019  -0.099296
+    1SOL     H6    6  -0.016682  -0.050907   0.003744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.096030   0.098945  -0.033203
+    0SOL     H2    2   0.060749   0.009967  -0.032582
+    0SOL     H3    3   0.102396   0.122883   0.059257
+    1SOL     O4    4  -0.093150  -0.088792   0.030312
+    1SOL     H5    5  -0.131660  -0.119470  -0.051774
+    1SOL     H6    6  -0.076814  -0.168657   0.080481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009584   0.073178   0.109169
+    0SOL     H2    2   0.057469   0.114084   0.163876
+    0SOL     H3    3  -0.067634   0.029151   0.171251
+    1SOL     O4    4   0.014300  -0.075658  -0.119206
+    1SOL     H5    5   0.014422  -0.020248  -0.041154
+    1SOL     H6    6  -0.078340  -0.086901  -0.140510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092296   0.085531  -0.037954
+    0SOL     H2    2  -0.059336   0.170923  -0.065958
+    0SOL     H3    3  -0.160576   0.064135  -0.101534
+    1SOL     O4    4   0.099429  -0.090557   0.039400
+    1SOL     H5    5   0.088783  -0.129677   0.126110
+    1SOL     H6    6   0.021285  -0.036531   0.027689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092661   0.001322  -0.105935
+    0SOL     H2    2   0.027575  -0.022062  -0.039758
+    0SOL     H3    3   0.086969  -0.068672  -0.170979
+    1SOL     O4    4  -0.084654  -0.001182   0.102840
+    1SOL     H5    5  -0.059089   0.086684   0.130916
+    1SOL     H6    6  -0.178201  -0.006373   0.122445
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013419  -0.040395   0.137302
+    0SOL     H2    2   0.015063  -0.043450   0.041644
+    0SOL     H3    3  -0.060191   0.017108   0.158215
+    1SOL     O4    4  -0.009878   0.037284  -0.127288
+    1SOL     H5    5  -0.062795  -0.009390  -0.191970
+    1SOL     H6    6   0.057840   0.081125  -0.178810
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041769  -0.098332  -0.078700
+    0SOL     H2    2  -0.023962  -0.083265  -0.171534
+    0SOL     H3    3  -0.021413  -0.190864  -0.065069
+    1SOL     O4    4   0.035059   0.105921   0.087319
+    1SOL     H5    5   0.129888   0.118828   0.085542
+    1SOL     H6    6   0.018443   0.040656   0.019299
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080362   0.047663   0.109698
+    0SOL     H2    2   0.005212   0.091791   0.149290
+    0SOL     H3    3   0.043227  -0.002547   0.037156
+    1SOL     O4    4  -0.069847  -0.047357  -0.102850
+    1SOL     H5    5  -0.074778  -0.107437  -0.177204
+    1SOL     H6    6  -0.142085   0.013906  -0.116667
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024168  -0.047671   0.133813
+    0SOL     H2    2  -0.030176  -0.017824   0.043064
+    0SOL     H3    3   0.028527  -0.127459   0.129395
+    1SOL     O4    4   0.026179   0.049566  -0.123277
+    1SOL     H5    5  -0.023378  -0.019287  -0.167611
+    1SOL     H6    6  -0.004181   0.130831  -0.163732
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096113  -0.043467   0.090428
+    0SOL     H2    2  -0.033132  -0.114730   0.101255
+    0SOL     H3    3  -0.166589  -0.081486   0.037987
+    1SOL     O4    4   0.102459   0.049275  -0.088349
+    1SOL     H5    5   0.051602   0.107828  -0.144452
+    1SOL     H6    6   0.038047   0.011447  -0.028496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052676  -0.016792  -0.134501
+    0SOL     H2    2  -0.030100   0.023093  -0.050466
+    0SOL     H3    3  -0.019974  -0.106520  -0.128035
+    1SOL     O4    4   0.052076   0.013606   0.126751
+    1SOL     H5    5  -0.037726   0.031159   0.154855
+    1SOL     H6    6   0.099229   0.094904   0.144903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033389  -0.141077  -0.003298
+    0SOL     H2    2   0.004394  -0.052958   0.020293
+    0SOL     H3    3   0.103586  -0.127037  -0.066840
+    1SOL     O4    4  -0.030855   0.132721   0.009288
+    1SOL     H5    5  -0.033878   0.147004  -0.085312
+    1SOL     H6    6  -0.115759   0.163570   0.040941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135073   0.008019  -0.050034
+    0SOL     H2    2   0.045530   0.007437  -0.016210
+    0SOL     H3    3   0.167995   0.095472  -0.029288
+    1SOL     O4    4  -0.134041  -0.006363   0.047786
+    1SOL     H5    5  -0.077364  -0.056589   0.106330
+    1SOL     H6    6  -0.153259  -0.066336  -0.024299
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135644   0.009635  -0.025350
+    0SOL     H2    2   0.161986  -0.039123  -0.103396
+    0SOL     H3    3   0.157030  -0.048503   0.047622
+    1SOL     O4    4  -0.144145  -0.007142   0.021739
+    1SOL     H5    5  -0.157514   0.054398   0.093825
+    1SOL     H6    6  -0.049458  -0.007476   0.007719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106591   0.039951   0.078097
+    0SOL     H2    2  -0.116375   0.127012   0.116658
+    0SOL     H3    3  -0.081378  -0.016103   0.151476
+    1SOL     O4    4   0.109356  -0.037442  -0.088142
+    1SOL     H5    5   0.039600  -0.011637  -0.027888
+    1SOL     H6    6   0.114050  -0.132703  -0.080034
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036701   0.051078   0.120548
+    0SOL     H2    2  -0.017843   0.024727   0.194662
+    0SOL     H3    3   0.051257   0.144783   0.133582
+    1SOL     O4    4  -0.038671  -0.059417  -0.124173
+    1SOL     H5    5   0.016744  -0.004049  -0.069166
+    1SOL     H6    6  -0.014553  -0.036006  -0.213797
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085796   0.068252  -0.093410
+    0SOL     H2    2  -0.050376   0.134012  -0.153271
+    0SOL     H3    3  -0.008633   0.024465  -0.057479
+    1SOL     O4    4   0.082221  -0.063433   0.092896
+    1SOL     H5    5   0.101597  -0.150487   0.058132
+    1SOL     H6    6   0.013092  -0.078205   0.157436
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137292  -0.020093  -0.044913
+    0SOL     H2    2   0.119922  -0.038134  -0.137299
+    0SOL     H3    3   0.050529  -0.013383  -0.005046
+    1SOL     O4    4  -0.124969   0.022457   0.046431
+    1SOL     H5    5  -0.166647   0.020719   0.132583
+    1SOL     H6    6  -0.194046  -0.004298  -0.014190
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109966   0.073509   0.039795
+    0SOL     H2    2   0.110028   0.035808   0.127778
+    0SOL     H3    3   0.200628   0.065446   0.010167
+    1SOL     O4    4  -0.115299  -0.076465  -0.047377
+    1SOL     H5    5  -0.041605  -0.018889  -0.026968
+    1SOL     H6    6  -0.188030  -0.041525   0.004116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085877   0.096140   0.050996
+    0SOL     H2    2   0.016619   0.143591   0.005017
+    0SOL     H3    3   0.104034   0.149318   0.128487
+    1SOL     O4    4  -0.087993  -0.099608  -0.056405
+    1SOL     H5    5  -0.068430  -0.192215  -0.042141
+    1SOL     H6    6  -0.017176  -0.052997  -0.011968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124248  -0.009102  -0.062568
+    0SOL     H2    2   0.170921  -0.038591   0.015626
+    0SOL     H3    3   0.162115   0.076582  -0.082235
+    1SOL     O4    4  -0.134257   0.004134   0.062635
+    1SOL     H5    5  -0.082019   0.082966   0.077433
+    1SOL     H6    6  -0.090422  -0.040447  -0.009845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052789  -0.130635   0.010338
+    0SOL     H2    2  -0.070565  -0.128092  -0.083682
+    0SOL     H3    3   0.018679  -0.193641   0.019555
+    1SOL     O4    4   0.048915   0.138974  -0.010176
+    1SOL     H5    5   0.019640   0.047841  -0.010311
+    1SOL     H6    6   0.093646   0.149687   0.073769
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021045   0.019282   0.141145
+    0SOL     H2    2   0.001419   0.104940   0.177483
+    0SOL     H3    3  -0.099249   0.035370   0.088347
+    1SOL     O4    4   0.018884  -0.022275  -0.142599
+    1SOL     H5    5   0.076115  -0.085126  -0.186605
+    1SOL     H6    6   0.057679  -0.011172  -0.055801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099345   0.088735  -0.061161
+    0SOL     H2    2   0.170376   0.073282  -0.123436
+    0SOL     H3    3   0.071006   0.001168  -0.034868
+    1SOL     O4    4  -0.095828  -0.081457   0.060533
+    1SOL     H5    5  -0.151694  -0.156870   0.041714
+    1SOL     H6    6  -0.144823  -0.030880   0.125369
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029660  -0.131572   0.061420
+    0SOL     H2    2   0.015644  -0.086049   0.144447
+    0SOL     H3    3  -0.056260  -0.131534   0.019228
+    1SOL     O4    4  -0.020534   0.133289  -0.066741
+    1SOL     H5    5  -0.116102   0.128010  -0.067846
+    1SOL     H6    6   0.006828   0.061212  -0.010010
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039773  -0.025689   0.142127
+    0SOL     H2    2   0.020215  -0.020459   0.048573
+    0SOL     H3    3   0.127708   0.011215   0.150361
+    1SOL     O4    4  -0.042828   0.023813  -0.130352
+    1SOL     H5    5   0.008287   0.060004  -0.202739
+    1SOL     H6    6  -0.113658  -0.024576  -0.172827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045036   0.076098   0.113601
+    0SOL     H2    2  -0.069016   0.020137   0.187463
+    0SOL     H3    3  -0.127700   0.092814   0.068327
+    1SOL     O4    4   0.051707  -0.070349  -0.121933
+    1SOL     H5    5   0.068182  -0.162989  -0.104367
+    1SOL     H6    6   0.031743  -0.032839  -0.036161
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056738   0.138176  -0.025498
+    0SOL     H2    2   0.010245   0.069934  -0.029819
+    0SOL     H3    3  -0.077256   0.145798   0.067686
+    1SOL     O4    4   0.053761  -0.132255   0.014368
+    1SOL     H5    5  -0.017004  -0.170943   0.065922
+    1SOL     H6    6   0.130621  -0.137802   0.071149
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125084   0.027800  -0.083059
+    0SOL     H2    2   0.075003   0.002317  -0.005568
+    0SOL     H3    3   0.076676   0.101832  -0.119642
+    1SOL     O4    4  -0.113135  -0.032979   0.079576
+    1SOL     H5    5  -0.172175   0.000560   0.012109
+    1SOL     H6    6  -0.162352  -0.023963   0.161176
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116654   0.004986   0.097444
+    0SOL     H2    2   0.165120   0.068804   0.045093
+    0SOL     H3    3   0.052941  -0.032505   0.036637
+    1SOL     O4    4  -0.112933  -0.011895  -0.092013
+    1SOL     H5    5  -0.102279   0.071395  -0.137965
+    1SOL     H6    6  -0.177606   0.006399  -0.023858
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035021   0.136095  -0.054686
+    0SOL     H2    2   0.032390   0.101305   0.034450
+    0SOL     H3    3   0.118958   0.106188  -0.089652
+    1SOL     O4    4  -0.035374  -0.135006   0.055405
+    1SOL     H5    5  -0.112657  -0.084952   0.081563
+    1SOL     H6    6  -0.038225  -0.135301  -0.040272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018756   0.106188   0.098438
+    0SOL     H2    2  -0.020787   0.163048   0.032366
+    0SOL     H3    3   0.109242   0.136651   0.105268
+    1SOL     O4    4  -0.026789  -0.110955  -0.100367
+    1SOL     H5    5   0.039552  -0.178757  -0.087558
+    1SOL     H6    6  -0.012022  -0.049109  -0.028818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053764   0.006807   0.139682
+    0SOL     H2    2   0.034085   0.071616   0.207320
+    0SOL     H3    3  -0.020633   0.011441   0.079633
+    1SOL     O4    4  -0.045155  -0.015731  -0.139207
+    1SOL     H5    5  -0.139719  -0.005074  -0.128896
+    1SOL     H6    6  -0.014139   0.070546  -0.166714
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073849   0.059150   0.106302
+    0SOL     H2    2  -0.084984  -0.013755   0.167319
+    0SOL     H3    3  -0.113018   0.134129   0.151093
+    1SOL     O4    4   0.075698  -0.065309  -0.114214
+    1SOL     H5    5   0.046183  -0.016938  -0.037068
+    1SOL     H6    6   0.128022  -0.002154  -0.163570
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.117788  -0.063570  -0.067457
+    0SOL     H2    2  -0.177029   0.000167  -0.107337
+    0SOL     H3    3  -0.051792  -0.080359  -0.134724
+    1SOL     O4    4   0.121106   0.066369   0.071436
+    1SOL     H5    5   0.040808   0.029557   0.034566
+    1SOL     H6    6   0.140450   0.010890   0.147002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061597  -0.051257   0.130393
+    0SOL     H2    2   0.017831  -0.136374   0.131781
+    0SOL     H3    3   0.122959  -0.057015   0.057154
+    1SOL     O4    4  -0.059234   0.062530  -0.126805
+    1SOL     H5    5  -0.051281  -0.000518  -0.055224
+    1SOL     H6    6  -0.127067   0.025952  -0.183577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061484  -0.137594   0.037233
+    0SOL     H2    2  -0.069386  -0.045479   0.012440
+    0SOL     H3    3  -0.083475  -0.185864  -0.042446
+    1SOL     O4    4   0.060423   0.131006  -0.026640
+    1SOL     H5    5   0.113113   0.107506  -0.103019
+    1SOL     H6    6   0.052959   0.226333  -0.031043
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009354  -0.051910   0.137705
+    0SOL     H2    2   0.103157  -0.063236   0.153034
+    0SOL     H3    3  -0.031106  -0.128134   0.179120
+    1SOL     O4    4  -0.005979   0.058354  -0.143122
+    1SOL     H5    5  -0.040621   0.080981  -0.056807
+    1SOL     H6    6  -0.076928   0.010113  -0.185564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097857  -0.077765   0.092029
+    0SOL     H2    2  -0.028570  -0.022287   0.056198
+    0SOL     H3    3  -0.057970  -0.119772   0.168231
+    1SOL     O4    4   0.092571   0.073942  -0.088424
+    1SOL     H5    5   0.071901   0.166587  -0.100749
+    1SOL     H6    6   0.088500   0.036529  -0.176435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.086020   0.089264  -0.084997
+    0SOL     H2    2  -0.004532   0.104629  -0.111953
+    0SOL     H3    3   0.138545   0.118912  -0.159323
+    1SOL     O4    4  -0.085742  -0.094729   0.095457
+    1SOL     H5    5   0.000847  -0.078348   0.058090
+    1SOL     H6    6  -0.146335  -0.050800   0.035783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030504  -0.032677   0.143344
+    0SOL     H2    2   0.039068  -0.024639   0.208593
+    0SOL     H3    3  -0.062942  -0.122131   0.153744
+    1SOL     O4    4   0.033751   0.035401  -0.151635
+    1SOL     H5    5  -0.054556   0.047918  -0.186385
+    1SOL     H6    6   0.027110   0.060669  -0.059550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118302   0.086403  -0.052078
+    0SOL     H2    2  -0.135963   0.179763  -0.063668
+    0SOL     H3    3  -0.025260   0.082138  -0.030007
+    1SOL     O4    4   0.110213  -0.086958   0.055073
+    1SOL     H5    5   0.196152  -0.076877   0.014144
+    1SOL     H6    6   0.085789  -0.177832   0.037531
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070544  -0.080459   0.107748
+    0SOL     H2    2  -0.130837  -0.144888   0.070654
+    0SOL     H3    3   0.003483  -0.132269   0.139341
+    1SOL     O4    4   0.069026   0.093921  -0.110004
+    1SOL     H5    5   0.010068   0.035810  -0.061948
+    1SOL     H6    6   0.151532   0.045646  -0.114959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.141882  -0.033238  -0.062299
+    0SOL     H2    2   0.199355   0.033164  -0.100376
+    0SOL     H3    3   0.062650   0.014669  -0.038017
+    1SOL     O4    4  -0.135901   0.021513   0.062596
+    1SOL     H5    5  -0.135046   0.109134   0.024072
+    1SOL     H6    6  -0.218636   0.017181   0.110538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076351   0.139198   0.000010
+    0SOL     H2    2  -0.165192   0.174345   0.005867
+    0SOL     H3    3  -0.037975   0.156517   0.085973
+    1SOL     O4    4   0.084569  -0.145777  -0.004518
+    1SOL     H5    5   0.032509  -0.114246   0.069359
+    1SOL     H6    6   0.040092  -0.110981  -0.081806
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046915  -0.106213   0.122104
+    0SOL     H2    2  -0.017553  -0.040061   0.097001
+    0SOL     H3    3   0.130380  -0.059356   0.122738
+    1SOL     O4    4  -0.049090   0.093891  -0.118076
+    1SOL     H5    5  -0.114917   0.157281  -0.146553
+    1SOL     H6    6   0.034674   0.136843  -0.135427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066861   0.147186  -0.014017
+    0SOL     H2    2  -0.116683   0.208160   0.040410
+    0SOL     H3    3   0.021330   0.148375   0.023175
+    1SOL     O4    4   0.066757  -0.147665   0.013933
+    1SOL     H5    5   0.083266  -0.128830  -0.078452
+    1SOL     H6    6   0.007295  -0.222669   0.012880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126787  -0.070448   0.077775
+    0SOL     H2    2   0.097780  -0.122476   0.152702
+    0SOL     H3    3   0.099446  -0.121148   0.001327
+    1SOL     O4    4  -0.122804   0.078335  -0.083511
+    1SOL     H5    5  -0.090263   0.119009  -0.003205
+    1SOL     H6    6  -0.169531   0.000309  -0.053663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053427   0.085967  -0.134923
+    0SOL     H2    2  -0.067340   0.029653  -0.211064
+    0SOL     H3    3  -0.056605   0.026365  -0.060091
+    1SOL     O4    4   0.049039  -0.074967   0.135316
+    1SOL     H5    5   0.061391  -0.146037   0.072396
+    1SOL     H6    6   0.127371  -0.077676   0.190262
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065638  -0.133128   0.071047
+    0SOL     H2    2   0.036832  -0.094146   0.153588
+    0SOL     H3    3   0.161205  -0.132873   0.076449
+    1SOL     O4    4  -0.070524   0.137760  -0.074990
+    1SOL     H5    5  -0.004520   0.098415  -0.132066
+    1SOL     H6    6  -0.117984   0.063204  -0.038232
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130306   0.046784   0.093182
+    0SOL     H2    2  -0.164349   0.061694   0.004972
+    0SOL     H3    3  -0.122661   0.134352   0.131075
+    1SOL     O4    4   0.135870  -0.054680  -0.095121
+    1SOL     H5    5   0.150713   0.017018  -0.033466
+    1SOL     H6    6   0.048812  -0.087739  -0.072976
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007728  -0.166715  -0.006463
+    0SOL     H2    2  -0.002368  -0.201925  -0.095310
+    0SOL     H3    3   0.065422  -0.207432   0.039943
+    1SOL     O4    4   0.004327   0.175662   0.003525
+    1SOL     H5    5  -0.007318   0.195637   0.096411
+    1SOL     H6    6  -0.001705   0.080261  -0.001446
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063158   0.103780  -0.127127
+    0SOL     H2    2   0.069391   0.056806  -0.210295
+    0SOL     H3    3  -0.028201   0.093425  -0.100505
+    1SOL     O4    4  -0.057132  -0.094681   0.127341
+    1SOL     H5    5  -0.120705  -0.162847   0.105566
+    1SOL     H6    6  -0.012412  -0.127594   0.205310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066294  -0.001673   0.167346
+    0SOL     H2    2   0.025140  -0.029968   0.168584
+    0SOL     H3    3  -0.114490  -0.074518   0.206501
+    1SOL     O4    4   0.060628   0.005956  -0.175099
+    1SOL     H5    5   0.154806   0.000848  -0.158768
+    1SOL     H6    6   0.023560   0.036704  -0.092378
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072083  -0.058578  -0.156812
+    0SOL     H2    2   0.114006  -0.024126  -0.235665
+    0SOL     H3    3  -0.017501  -0.025082  -0.160673
+    1SOL     O4    4  -0.074315   0.051877   0.164225
+    1SOL     H5    5  -0.004209   0.004956   0.118993
+    1SOL     H6    6  -0.047313   0.143673   0.161641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161965   0.004230   0.097266
+    0SOL     H2    2  -0.114853  -0.052838   0.157978
+    0SOL     H3    3  -0.190138  -0.053912   0.026639
+    1SOL     O4    4   0.156324   0.004151  -0.092300
+    1SOL     H5    5   0.165116  -0.078350  -0.140035
+    1SOL     H6    6   0.230009   0.057291  -0.122449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008286   0.030883  -0.191598
+    0SOL     H2    2   0.042757  -0.047133  -0.235045
+    0SOL     H3    3  -0.086270   0.026463  -0.205809
+    1SOL     O4    4  -0.008277  -0.020507   0.193078
+    1SOL     H5    5   0.068958  -0.016519   0.249480
+    1SOL     H6    6  -0.018190  -0.113460   0.172495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013326   0.161643  -0.116067
+    0SOL     H2    2   0.055730   0.214990  -0.155406
+    0SOL     H3    3  -0.002888   0.174584  -0.021802
+    1SOL     O4    4   0.006184  -0.162986   0.108116
+    1SOL     H5    5  -0.035124  -0.202628   0.184827
+    1SOL     H6    6   0.099770  -0.163691   0.128203
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.189051   0.080526  -0.065862
+    0SOL     H2    2  -0.223146   0.012456  -0.007842
+    0SOL     H3    3  -0.099760   0.052463  -0.085909
+    1SOL     O4    4   0.179091  -0.077100   0.064396
+    1SOL     H5    5   0.215704   0.010771   0.054375
+    1SOL     H6    6   0.255268  -0.135056   0.063754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.154471  -0.143853   0.008816
+    0SOL     H2    2   0.188636  -0.232771  -0.000598
+    0SOL     H3    3   0.059434  -0.154857   0.011855
+    1SOL     O4    4  -0.145386   0.152729  -0.011348
+    1SOL     H5    5  -0.236198   0.166476  -0.038303
+    1SOL     H6    6  -0.151070   0.090856   0.061465
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073205  -0.196003  -0.053400
+    0SOL     H2    2  -0.017001  -0.166859   0.018392
+    0SOL     H3    3  -0.161108  -0.198438  -0.015591
+    1SOL     O4    4   0.074401   0.190178   0.041100
+    1SOL     H5    5   0.029845   0.179959   0.125199
+    1SOL     H6    6   0.127126   0.269408   0.051348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105898   0.189491  -0.032896
+    0SOL     H2    2   0.194348   0.164773  -0.005913
+    0SOL     H3    3   0.056721   0.107374  -0.032052
+    1SOL     O4    4  -0.105117  -0.178766   0.026472
+    1SOL     H5    5  -0.123713  -0.272655   0.027655
+    1SOL     H6    6  -0.140593  -0.146230   0.109207
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039858  -0.190505  -0.112871
+    0SOL     H2    2  -0.101361  -0.245105  -0.063896
+    0SOL     H3    3   0.006070  -0.139988  -0.045782
+    1SOL     O4    4   0.035317   0.190276   0.102108
+    1SOL     H5    5   0.118768   0.147937   0.081966
+    1SOL     H6    6   0.049980   0.233378   0.186307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043439   0.120106   0.174402
+    0SOL     H2    2  -0.046254   0.214207   0.191703
+    0SOL     H3    3  -0.005544   0.082243   0.253728
+    1SOL     O4    4   0.036675  -0.119163  -0.177876
+    1SOL     H5    5   0.066800  -0.127846  -0.268316
+    1SOL     H6    6   0.089152  -0.182498  -0.128915
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011156   0.015913  -0.228397
+    0SOL     H2    2   0.034051   0.101360  -0.191833
+    0SOL     H3    3   0.032630  -0.046420  -0.159001
+    1SOL     O4    4  -0.012969  -0.015680   0.228326
+    1SOL     H5    5  -0.044263   0.038754   0.156077
+    1SOL     H6    6   0.002505  -0.101467   0.188784
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112479  -0.007068   0.204167
+    0SOL     H2    2   0.038219  -0.010831   0.143887
+    0SOL     H3    3   0.169627   0.060484   0.167656
+    1SOL     O4    4  -0.117210   0.006578  -0.202919
+    1SOL     H5    5  -0.123179  -0.031867  -0.115462
+    1SOL     H6    6  -0.024820  -0.001730  -0.226531
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003204  -0.228794  -0.012329
+    0SOL     H2    2   0.011495  -0.291975  -0.082716
+    0SOL     H3    3  -0.098205  -0.217360  -0.009795
+    1SOL     O4    4   0.010330   0.228415   0.021719
+    1SOL     H5    5   0.017949   0.322517   0.005939
+    1SOL     H6    6  -0.043026   0.196144  -0.050903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014549  -0.193431   0.148620
+    0SOL     H2    2   0.059280  -0.140400   0.082672
+    0SOL     H3    3   0.032751  -0.149076   0.231467
+    1SOL     O4    4  -0.022728   0.185421  -0.146205
+    1SOL     H5    5   0.062627   0.218121  -0.117788
+    1SOL     H6    6  -0.024237   0.201152  -0.240611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035048  -0.091427   0.234086
+    0SOL     H2    2   0.097228  -0.154023   0.196968
+    0SOL     H3    3   0.016494  -0.125132   0.321733
+    1SOL     O4    4  -0.035169   0.094179  -0.231411
+    1SOL     H5    5  -0.123029   0.087350  -0.268778
+    1SOL     H6    6   0.011321   0.153781  -0.290137
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089595   0.248233   0.003524
+    0SOL     H2    2  -0.155407   0.199943  -0.046468
+    0SOL     H3    3  -0.013370   0.251747  -0.054266
+    1SOL     O4    4   0.090101  -0.252297   0.003233
+    1SOL     H5    5   0.122110  -0.195000  -0.066444
+    1SOL     H6    6   0.041482  -0.194144   0.061686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054794   0.221519   0.130039
+    0SOL     H2    2  -0.143741   0.255527   0.139738
+    0SOL     H3    3   0.001674   0.294041   0.156764
+    1SOL     O4    4   0.058479  -0.229979  -0.126857
+    1SOL     H5    5   0.043258  -0.136343  -0.139621
+    1SOL     H6    6   0.037002  -0.269520  -0.211342
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033539   0.291768   0.144851
+    0SOL     H2    2   0.024746   0.360616   0.078935
+    0SOL     H3    3   0.113225   0.244872   0.120088
+    1SOL     O4    4  -0.041855  -0.289514  -0.135992
+    1SOL     H5    5  -0.049746  -0.378267  -0.170964
+    1SOL     H6    6   0.042155  -0.257973  -0.169307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.174083   0.169780   0.257570
+    0SOL     H2    2   0.184007   0.195268   0.349299
+    0SOL     H3    3   0.079956   0.175455   0.241133
+    1SOL     O4    4  -0.169327  -0.164535  -0.261518
+    1SOL     H5    5  -0.188838  -0.230410  -0.194869
+    1SOL     H6    6  -0.148065  -0.215237  -0.339874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074247   0.193199   0.298097
+    0SOL     H2    2  -0.007414   0.195095   0.248194
+    0SOL     H3    3   0.087790   0.100654   0.318451
+    1SOL     O4    4  -0.067708  -0.183152  -0.299155
+    1SOL     H5    5  -0.069577  -0.274959  -0.326180
+    1SOL     H6    6  -0.115351  -0.181595  -0.216149
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038517   0.361645  -0.135228
+    0SOL     H2    2   0.034539   0.323568  -0.086492
+    0SOL     H3    3  -0.116606   0.331934  -0.088518
+    1SOL     O4    4   0.038967  -0.363966   0.127006
+    1SOL     H5    5  -0.036665  -0.311992   0.154225
+    1SOL     H6    6   0.114563  -0.309079   0.147862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012153  -0.361418   0.153651
+    0SOL     H2    2   0.080034  -0.373220   0.087204
+    0SOL     H3    3   0.056797  -0.377748   0.236732
+    1SOL     O4    4  -0.021697   0.365852  -0.160230
+    1SOL     H5    5  -0.009735   0.271972  -0.145888
+    1SOL     H6    6   0.019706   0.407171  -0.084462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.008434   0.101071   0.393439
+    0SOL     H2    2   0.054734   0.036534   0.425176
+    0SOL     H3    3  -0.092846   0.070265   0.426424
+    1SOL     O4    4   0.006210  -0.095213  -0.402865
+    1SOL     H5    5   0.048547  -0.023052  -0.356360
+    1SOL     H6    6   0.023812  -0.172216  -0.348800
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.109125   0.438100  -0.066880
+    0SOL     H2    2  -0.071295   0.352522  -0.087070
+    0SOL     H3    3  -0.129073   0.476291  -0.152354
+    1SOL     O4    4   0.108625  -0.438556   0.066421
+    1SOL     H5    5   0.041477  -0.457657   0.131908
+    1SOL     H6    6   0.165408  -0.373943   0.108412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076088   0.222943  -0.412199
+    0SOL     H2    2  -0.159966   0.228032  -0.366364
+    0SOL     H3    3  -0.023716   0.162374  -0.359750
+    1SOL     O4    4   0.075680  -0.226003   0.408940
+    1SOL     H5    5   0.029595  -0.142487   0.416908
+    1SOL     H6    6   0.156743  -0.204382   0.362858
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.331793  -0.109650   0.380361
+    0SOL     H2    2  -0.421570  -0.142516   0.375653
+    0SOL     H3    3  -0.277505  -0.184506   0.355628
+    1SOL     O4    4   0.337483   0.120336  -0.377954
+    1SOL     H5    5   0.242032   0.115096  -0.382832
+    1SOL     H6    6   0.367111   0.030098  -0.389851
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.373816   0.187950   0.351345
+    0SOL     H2    2   0.405319   0.244036   0.280463
+    0SOL     H3    3   0.299912   0.235867   0.388822
+    1SOL     O4    4  -0.371691  -0.192965  -0.356195
+    1SOL     H5    5  -0.368531  -0.271492  -0.301552
+    1SOL     H6    6  -0.371225  -0.120321  -0.293867
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.556032   0.621791   0.114314
+    0SOL     H2    2  -0.484373   0.650290   0.057612
+    0SOL     H3    3  -0.635051   0.636391   0.062303
+    1SOL     O4    4   0.559203  -0.629753  -0.105500
+    1SOL     H5    5   0.466674  -0.610694  -0.120909
+    1SOL     H6    6   0.605617  -0.554358  -0.141882
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -1.380146   0.030352  -0.149266
+    0SOL     H2    2  -1.325150   0.093644  -0.103095
+    0SOL     H3    3  -1.342757  -0.054843  -0.126768
+    1SOL     O4    4   1.370157  -0.026854   0.149349
+    1SOL     H5    5   1.449392  -0.075190   0.172751
+    1SOL     H6    6   1.374587  -0.018171   0.054126
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077376  -0.076356  -0.076935
+    0SOL     H2    2  -0.021820  -0.029545  -0.014609
+    0SOL     H3    3  -0.085884  -0.164313  -0.040146
+    1SOL     O4    4   0.072975   0.072711   0.067896
+    1SOL     H5    5   0.012522   0.144907   0.085089
+    1SOL     H6    6   0.156970   0.103015   0.102377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003736   0.104016  -0.072127
+    0SOL     H2    2  -0.082868   0.128880  -0.104436
+    0SOL     H3    3   0.028165   0.174562  -0.012220
+    1SOL     O4    4   0.004930  -0.111646   0.073588
+    1SOL     H5    5   0.003991  -0.048689   0.001491
+    1SOL     H6    6  -0.087421  -0.130764   0.089958
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102261   0.087400  -0.007204
+    0SOL     H2    2  -0.154457   0.064683  -0.084157
+    0SOL     H3    3  -0.013550   0.058887  -0.029106
+    1SOL     O4    4   0.094900  -0.087043   0.011533
+    1SOL     H5    5   0.160354  -0.042538  -0.042294
+    1SOL     H6    6   0.125401  -0.074788   0.101432
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058569  -0.093362  -0.062548
+    0SOL     H2    2  -0.079203  -0.183807  -0.038964
+    0SOL     H3    3  -0.042724  -0.096183  -0.156905
+    1SOL     O4    4   0.058854   0.101353   0.073742
+    1SOL     H5    5   0.012416   0.027431   0.034481
+    1SOL     H6    6   0.106852   0.140917   0.000987
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007880   0.063086  -0.115117
+    0SOL     H2    2   0.090968   0.099406  -0.084467
+    0SOL     H3    3   0.028217   0.025647  -0.200832
+    1SOL     O4    4  -0.018555  -0.060740   0.123745
+    1SOL     H5    5   0.056589  -0.119740   0.129639
+    1SOL     H6    6  -0.024871  -0.039145   0.030707
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000324  -0.081175   0.100821
+    0SOL     H2    2   0.055174  -0.158948   0.095008
+    0SOL     H3    3  -0.020811  -0.073221   0.193984
+    1SOL     O4    4  -0.000459   0.082578  -0.111813
+    1SOL     H5    5   0.025644   0.043465  -0.028439
+    1SOL     H6    6  -0.045748   0.163274  -0.087330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094097   0.031482  -0.087172
+    0SOL     H2    2  -0.160783   0.085082  -0.044250
+    0SOL     H3    3  -0.058526   0.087877  -0.155850
+    1SOL     O4    4   0.097364  -0.044472   0.091178
+    1SOL     H5    5   0.130689   0.039220   0.123540
+    1SOL     H6    6   0.045754  -0.021492   0.013909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078169   0.018793  -0.103659
+    0SOL     H2    2   0.041580   0.001979  -0.190497
+    0SOL     H3    3   0.127715   0.100060  -0.113816
+    1SOL     O4    4  -0.078151  -0.026475   0.115577
+    1SOL     H5    5  -0.153473   0.027990   0.092719
+    1SOL     H6    6  -0.018574  -0.017473   0.041201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113917   0.074126  -0.039899
+    0SOL     H2    2  -0.168427   0.014305   0.011213
+    0SOL     H3    3  -0.024881   0.058131  -0.008608
+    1SOL     O4    4   0.110541  -0.070615   0.029010
+    1SOL     H5    5   0.067785  -0.110656   0.104713
+    1SOL     H6    6   0.179304  -0.015638   0.066581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122851  -0.053884   0.014995
+    0SOL     H2    2   0.189883   0.004627   0.050286
+    0SOL     H3    3   0.089037  -0.100516   0.091443
+    1SOL     O4    4  -0.128069   0.056186  -0.017028
+    1SOL     H5    5  -0.165485   0.020186  -0.097442
+    1SOL     H6    6  -0.034465   0.037259  -0.023541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045692   0.093588   0.083361
+    0SOL     H2    2   0.115034   0.159573   0.083416
+    0SOL     H3    3  -0.034863   0.143439   0.069647
+    1SOL     O4    4  -0.043170  -0.106359  -0.083369
+    1SOL     H5    5  -0.018699  -0.045108  -0.014002
+    1SOL     H6    6  -0.104090  -0.057170  -0.138428
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022858   0.140347   0.000628
+    0SOL     H2    2  -0.020506   0.046446  -0.017797
+    0SOL     H3    3  -0.062395   0.146762   0.087564
+    1SOL     O4    4   0.025747  -0.130327  -0.009144
+    1SOL     H5    5  -0.053790  -0.174405   0.020743
+    1SOL     H6    6   0.096057  -0.170452   0.041931
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064722  -0.119739   0.041986
+    0SOL     H2    2  -0.084519  -0.160155  -0.042494
+    0SOL     H3    3  -0.031660  -0.032696   0.019789
+    1SOL     O4    4   0.062609   0.111255  -0.038995
+    1SOL     H5    5   0.124952   0.125544   0.032219
+    1SOL     H6    6   0.022529   0.196983  -0.053367
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121459   0.034136  -0.036428
+    0SOL     H2    2   0.208416  -0.003192  -0.022028
+    0SOL     H3    3   0.135987   0.105602  -0.098427
+    1SOL     O4    4  -0.128720  -0.039167   0.045691
+    1SOL     H5    5  -0.192150  -0.012142  -0.020707
+    1SOL     H6    6  -0.043500  -0.018697   0.007208
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028351  -0.105453  -0.077092
+    0SOL     H2    2   0.031086  -0.177494  -0.098055
+    0SOL     H3    3  -0.050407  -0.067068  -0.161960
+    1SOL     O4    4   0.023590   0.111323   0.087533
+    1SOL     H5    5  -0.018586   0.045863   0.031869
+    1SOL     H6    6   0.116363   0.106207   0.064524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024571   0.083687  -0.114227
+    0SOL     H2    2  -0.014542   0.046374  -0.026652
+    0SOL     H3    3   0.064986   0.093264  -0.146633
+    1SOL     O4    4   0.019209  -0.075258   0.108636
+    1SOL     H5    5  -0.040937  -0.109704   0.174654
+    1SOL     H6    6   0.070417  -0.151211   0.080864
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.090137  -0.022418   0.107399
+    0SOL     H2    2  -0.055174   0.005414   0.022751
+    0SOL     H3    3  -0.183897  -0.034007   0.092001
+    1SOL     O4    4   0.087285   0.024595  -0.101325
+    1SOL     H5    5   0.105631  -0.053944  -0.152874
+    1SOL     H6    6   0.171427   0.047651  -0.061944
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100636  -0.087439   0.027334
+    0SOL     H2    2  -0.111185  -0.175568   0.063170
+    0SOL     H3    3  -0.123524  -0.096257  -0.065190
+    1SOL     O4    4   0.107204   0.096010  -0.021066
+    1SOL     H5    5   0.076359   0.008992   0.004206
+    1SOL     H6    6   0.054388   0.118920  -0.097538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058585   0.070052  -0.102630
+    0SOL     H2    2   0.024119   0.061419  -0.150041
+    0SOL     H3    3  -0.075545   0.164242  -0.100913
+    1SOL     O4    4   0.059873  -0.073062   0.109259
+    1SOL     H5    5   0.015429  -0.157578   0.102623
+    1SOL     H6    6   0.013204  -0.016509   0.047727
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063348   0.058129  -0.116795
+    0SOL     H2    2  -0.047886   0.032702  -0.025819
+    0SOL     H3    3  -0.007641   0.134827  -0.130077
+    1SOL     O4    4   0.055097  -0.055952   0.109481
+    1SOL     H5    5   0.121197  -0.108194   0.064051
+    1SOL     H6    6   0.047613  -0.096549   0.195841
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074544   0.086521   0.090565
+    0SOL     H2    2   0.019503   0.042578   0.025744
+    0SOL     H3    3   0.122550   0.015599   0.133319
+    1SOL     O4    4  -0.076084  -0.073439  -0.087167
+    1SOL     H5    5   0.002533  -0.095351  -0.137182
+    1SOL     H6    6  -0.121502  -0.156959  -0.076036
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024098  -0.046180  -0.137283
+    0SOL     H2    2  -0.112277  -0.008953  -0.136272
+    0SOL     H3    3   0.020139  -0.005119  -0.062990
+    1SOL     O4    4   0.022023   0.038820   0.128672
+    1SOL     H5    5   0.015184   0.124663   0.170464
+    1SOL     H6    6   0.105978   0.004084   0.158795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007051   0.015148  -0.142631
+    0SOL     H2    2  -0.052683   0.085328  -0.189052
+    0SOL     H3    3  -0.039388   0.020860  -0.052720
+    1SOL     O4    4   0.016969  -0.022463   0.137884
+    1SOL     H5    5  -0.000948   0.071340   0.144382
+    1SOL     H6    6  -0.062091  -0.064405   0.171839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053392  -0.122687   0.057002
+    0SOL     H2    2   0.147845  -0.132643   0.045092
+    0SOL     H3    3   0.036424  -0.030387   0.038157
+    1SOL     O4    4  -0.058245   0.114448  -0.049417
+    1SOL     H5    5  -0.078687   0.082643  -0.137353
+    1SOL     H6    6  -0.035440   0.206568  -0.061913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013614   0.051493   0.126342
+    0SOL     H2    2   0.040528   0.014193   0.210288
+    0SOL     H3    3   0.064091   0.132469   0.118775
+    1SOL     O4    4  -0.013318  -0.055518  -0.135585
+    1SOL     H5    5  -0.105309  -0.032216  -0.148113
+    1SOL     H6    6  -0.000614  -0.052960  -0.040746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043660   0.074119  -0.109914
+    0SOL     H2    2  -0.007978   0.015654  -0.176779
+    0SOL     H3    3  -0.000606   0.158083  -0.126000
+    1SOL     O4    4   0.034058  -0.078750   0.118369
+    1SOL     H5    5   0.128407  -0.081936   0.134195
+    1SOL     H6    6   0.024957  -0.028055   0.037687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001906   0.139798  -0.044260
+    0SOL     H2    2  -0.051250   0.158201  -0.121707
+    0SOL     H3    3  -0.000001   0.044459  -0.035945
+    1SOL     O4    4   0.003159  -0.132547   0.055016
+    1SOL     H5    5   0.062572  -0.169658  -0.010216
+    1SOL     H6    6  -0.083861  -0.141785   0.016230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126878  -0.077545  -0.005430
+    0SOL     H2    2   0.055545  -0.016647   0.013681
+    0SOL     H3    3   0.091080  -0.163795   0.015590
+    1SOL     O4    4  -0.114707   0.081406   0.002375
+    1SOL     H5    5  -0.175634   0.056439  -0.067101
+    1SOL     H6    6  -0.162253   0.063620   0.083525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141418  -0.017965  -0.044901
+    0SOL     H2    2  -0.046819  -0.007988  -0.034227
+    0SOL     H3    3  -0.164050  -0.092763   0.010375
+    1SOL     O4    4   0.138323   0.027496   0.036738
+    1SOL     H5    5   0.095014   0.026578   0.122095
+    1SOL     H6    6   0.164309  -0.063448   0.022032
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101897   0.084779  -0.056773
+    0SOL     H2    2  -0.051056   0.113479  -0.132627
+    0SOL     H3    3  -0.092865   0.156019   0.006518
+    1SOL     O4    4   0.098147  -0.095649   0.061236
+    1SOL     H5    5   0.175230  -0.054990   0.021644
+    1SOL     H6    6   0.025391  -0.038807   0.035980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019880   0.095429   0.116582
+    0SOL     H2    2   0.109950   0.070012   0.096494
+    0SOL     H3    3  -0.032637   0.053652   0.048326
+    1SOL     O4    4  -0.021919  -0.088300  -0.105710
+    1SOL     H5    5   0.049304  -0.134665  -0.149754
+    1SOL     H6    6  -0.097115  -0.098913  -0.163980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046314   0.103027  -0.082654
+    0SOL     H2    2  -0.049497   0.101574  -0.178310
+    0SOL     H3    3  -0.038217   0.195751  -0.060316
+    1SOL     O4    4   0.046548  -0.108558   0.093624
+    1SOL     H5    5   0.079355  -0.168646   0.026724
+    1SOL     H6    6   0.002457  -0.039422   0.044243
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055959   0.106403   0.073030
+    0SOL     H2    2   0.075075   0.192520   0.035873
+    0SOL     H3    3   0.119330   0.096306   0.144055
+    1SOL     O4    4  -0.064383  -0.113566  -0.070280
+    1SOL     H5    5  -0.062500  -0.127946  -0.164894
+    1SOL     H6    6   0.001195  -0.045525  -0.055037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010182  -0.027662  -0.140812
+    0SOL     H2    2   0.067364  -0.074605  -0.110067
+    0SOL     H3    3  -0.043120  -0.080672  -0.213388
+    1SOL     O4    4   0.014077   0.035655   0.142360
+    1SOL     H5    5  -0.038657   0.036338   0.222241
+    1SOL     H6    6  -0.043773  -0.001441   0.075730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108173  -0.016036  -0.105842
+    0SOL     H2    2  -0.054385  -0.008759  -0.184685
+    0SOL     H3    3  -0.045010  -0.022989  -0.034257
+    1SOL     O4    4   0.097223   0.020069   0.102652
+    1SOL     H5    5   0.069660  -0.028184   0.180589
+    1SOL     H6    6   0.188807  -0.004808   0.090165
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122049   0.003673   0.073482
+    0SOL     H2    2   0.078698   0.002433   0.158813
+    0SOL     H3    3   0.213639   0.023112   0.093374
+    1SOL     O4    4  -0.126079   0.001274  -0.081153
+    1SOL     H5    5  -0.056713  -0.030424  -0.023309
+    1SOL     H6    6  -0.170607  -0.078051  -0.110937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.005811  -0.055292   0.131399
+    0SOL     H2    2  -0.072826  -0.092909   0.170939
+    0SOL     H3    3   0.078154  -0.092208   0.182054
+    1SOL     O4    4  -0.002012   0.063099  -0.141226
+    1SOL     H5    5   0.035031   0.007918  -0.072342
+    1SOL     H6    6  -0.096704   0.056682  -0.128793
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037262  -0.089805  -0.119788
+    0SOL     H2    2  -0.089742  -0.018376  -0.155928
+    0SOL     H3    3   0.017509  -0.048080  -0.053293
+    1SOL     O4    4   0.041150   0.083730   0.113299
+    1SOL     H5    5   0.047371   0.040580   0.198515
+    1SOL     H6    6  -0.041043   0.132640   0.117108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038903   0.109209   0.085291
+    0SOL     H2    2   0.055609   0.191004   0.038465
+    0SOL     H3    3   0.080376   0.121535   0.170675
+    1SOL     O4    4  -0.039554  -0.120602  -0.089881
+    1SOL     H5    5  -0.126365  -0.084554  -0.107957
+    1SOL     H6    6   0.000233  -0.058115  -0.029263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093279  -0.065831  -0.104923
+    0SOL     H2    2  -0.154850   0.004514  -0.125490
+    0SOL     H3    3  -0.016176  -0.020884  -0.070321
+    1SOL     O4    4   0.092903   0.053072   0.101123
+    1SOL     H5    5   0.013560   0.089362   0.140494
+    1SOL     H6    6   0.159469   0.120486   0.114785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108828  -0.102585   0.002495
+    0SOL     H2    2   0.114140  -0.114631  -0.092315
+    0SOL     H3    3   0.072702  -0.184985   0.035169
+    1SOL     O4    4  -0.110749   0.109592  -0.004828
+    1SOL     H5    5  -0.130735   0.137581   0.084501
+    1SOL     H6    6  -0.033748   0.053464   0.004271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028158  -0.031705  -0.142287
+    0SOL     H2    2   0.108732   0.010549  -0.172031
+    0SOL     H3    3   0.028491  -0.117119  -0.185493
+    1SOL     O4    4  -0.028968   0.037547   0.150837
+    1SOL     H5    5  -0.108486  -0.013889   0.164746
+    1SOL     H6    6  -0.009170   0.026455   0.057846
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140749  -0.058876  -0.015102
+    0SOL     H2    2  -0.117295  -0.039893  -0.105942
+    0SOL     H3    3  -0.198101   0.013366   0.010475
+    1SOL     O4    4   0.148111   0.056583   0.020627
+    1SOL     H5    5   0.070994   0.089748  -0.025366
+    1SOL     H6    6   0.130005  -0.036477   0.033828
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012775  -0.048198  -0.151084
+    0SOL     H2    2  -0.036054   0.042671  -0.132024
+    0SOL     H3    3   0.067519  -0.063365  -0.101233
+    1SOL     O4    4   0.007539   0.048426   0.151659
+    1SOL     H5    5   0.096269   0.020712   0.128829
+    1SOL     H6    6  -0.049400  -0.007128   0.098423
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110442   0.063151  -0.094340
+    0SOL     H2    2  -0.192486   0.014364  -0.087208
+    0SOL     H3    3  -0.066305   0.048237  -0.010723
+    1SOL     O4    4   0.108162  -0.062782   0.085281
+    1SOL     H5    5   0.095769  -0.035832   0.176289
+    1SOL     H6    6   0.196775  -0.033847   0.063538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016498  -0.125952  -0.097774
+    0SOL     H2    2  -0.027047  -0.031669  -0.085055
+    0SOL     H3    3  -0.104751  -0.157585  -0.117087
+    1SOL     O4    4   0.017400   0.123588   0.094783
+    1SOL     H5    5   0.023041   0.090670   0.184488
+    1SOL     H6    6   0.108408   0.130133   0.065854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044035   0.137880   0.051678
+    0SOL     H2    2  -0.039297   0.184751   0.056284
+    0SOL     H3    3   0.108461   0.200090   0.085463
+    1SOL     O4    4  -0.043801  -0.147606  -0.058873
+    1SOL     H5    5   0.022923  -0.081118  -0.041856
+    1SOL     H6    6  -0.099764  -0.145864   0.018764
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028838   0.085509  -0.131250
+    0SOL     H2    2  -0.024629   0.009158  -0.109478
+    0SOL     H3    3   0.053221   0.072392  -0.222878
+    1SOL     O4    4  -0.032611  -0.077051   0.137713
+    1SOL     H5    5  -0.018331  -0.170603   0.123344
+    1SOL     H6    6   0.051015  -0.036275   0.115213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.049897   0.150334   0.015744
+    0SOL     H2    2   0.126665   0.193237   0.053538
+    0SOL     H3    3   0.078229   0.122934  -0.071485
+    1SOL     O4    4  -0.057930  -0.157743  -0.012419
+    1SOL     H5    5   0.016961  -0.120884   0.034432
+    1SOL     H6    6  -0.084069  -0.089035  -0.073723
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003293  -0.146682   0.073352
+    0SOL     H2    2   0.063798  -0.076091   0.096119
+    0SOL     H3    3   0.046522  -0.193170   0.001711
+    1SOL     O4    4  -0.004076   0.147297  -0.069309
+    1SOL     H5    5  -0.032956   0.066361  -0.111470
+    1SOL     H6    6  -0.085179   0.192183  -0.045436
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041352   0.088195   0.129647
+    0SOL     H2    2   0.033455   0.120835   0.040011
+    0SOL     H3    3   0.105582   0.146090   0.170698
+    1SOL     O4    4  -0.042309  -0.099275  -0.124736
+    1SOL     H5    5  -0.133796  -0.071157  -0.123429
+    1SOL     H6    6   0.005062  -0.025094  -0.162360
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139555   0.072979  -0.034143
+    0SOL     H2    2  -0.225088   0.030801  -0.042362
+    0SOL     H3    3  -0.133602   0.130268  -0.110595
+    1SOL     O4    4   0.147150  -0.078901   0.043126
+    1SOL     H5    5   0.190681  -0.023082  -0.021307
+    1SOL     H6    6   0.055296  -0.052168   0.039879
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106311  -0.034361  -0.124103
+    0SOL     H2    2  -0.154082   0.025975  -0.181023
+    0SOL     H3    3  -0.016384  -0.001570  -0.124459
+    1SOL     O4    4   0.100082   0.024533   0.123170
+    1SOL     H5    5   0.069434   0.072633   0.200043
+    1SOL     H6    6   0.191978   0.049752   0.114146
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109561   0.009310  -0.120128
+    0SOL     H2    2   0.045278  -0.025532  -0.181902
+    0SOL     H3    3   0.163485   0.068583  -0.172485
+    1SOL     O4    4  -0.114251  -0.010726   0.124088
+    1SOL     H5    5  -0.094173  -0.027320   0.216196
+    1SOL     H6    6  -0.029116   0.005767   0.083562
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.115739   0.007098  -0.122694
+    0SOL     H2    2   0.061977  -0.066407  -0.093215
+    0SOL     H3    3   0.156651  -0.023965  -0.203463
+    1SOL     O4    4  -0.110542  -0.005408   0.123010
+    1SOL     H5    5  -0.195240   0.011398   0.081703
+    1SOL     H6    6  -0.113596   0.043950   0.204966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125489  -0.092790   0.082471
+    0SOL     H2    2  -0.101809  -0.055010   0.167173
+    0SOL     H3    3  -0.062911  -0.054697   0.020866
+    1SOL     O4    4   0.115684   0.084830  -0.083425
+    1SOL     H5    5   0.144602   0.139976  -0.156123
+    1SOL     H6    6   0.179870   0.100744  -0.014222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109071   0.005292  -0.137262
+    0SOL     H2    2   0.055694   0.076392  -0.101794
+    0SOL     H3    3   0.055846  -0.031889  -0.207596
+    1SOL     O4    4  -0.101102  -0.010076   0.145271
+    1SOL     H5    5  -0.180632  -0.024868   0.094099
+    1SOL     H6    6  -0.049743   0.051190   0.092630
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.129611  -0.118472   0.012247
+    0SOL     H2    2  -0.104914  -0.131302  -0.079338
+    0SOL     H3    3  -0.086407  -0.189960   0.058994
+    1SOL     O4    4   0.123580   0.121436  -0.004506
+    1SOL     H5    5   0.103785   0.086253  -0.091297
+    1SOL     H6    6   0.185831   0.192265  -0.020950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074603  -0.152994   0.034752
+    0SOL     H2    2  -0.086999  -0.204980   0.114164
+    0SOL     H3    3  -0.151139  -0.095604   0.031448
+    1SOL     O4    4   0.081331   0.156033  -0.033290
+    1SOL     H5    5   0.139373   0.127664  -0.103920
+    1SOL     H6    6  -0.006019   0.129160  -0.061754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032895   0.171094   0.042720
+    0SOL     H2    2  -0.006681   0.208779   0.126713
+    0SOL     H3    3   0.049646   0.152268  -0.001944
+    1SOL     O4    4   0.021205  -0.175445  -0.047018
+    1SOL     H5    5   0.063085  -0.174779   0.039051
+    1SOL     H6    6   0.073899  -0.115459  -0.099813
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127266  -0.086621  -0.104902
+    0SOL     H2    2  -0.126539  -0.013298  -0.043376
+    0SOL     H3    3  -0.038340  -0.121855  -0.101300
+    1SOL     O4    4   0.120008   0.088089   0.096542
+    1SOL     H5    5   0.119677   0.115739   0.188181
+    1SOL     H6    6   0.163524   0.002837   0.097354
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.174747  -0.042926  -0.010840
+    0SOL     H2    2  -0.100950  -0.090880  -0.048479
+    0SOL     H3    3  -0.252235  -0.088869  -0.043202
+    1SOL     O4    4   0.179563   0.043898   0.016172
+    1SOL     H5    5   0.103567   0.066735   0.069701
+    1SOL     H6    6   0.169204   0.095793  -0.063589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026615   0.172152   0.056718
+    0SOL     H2    2  -0.026418   0.175899   0.152364
+    0SOL     H3    3  -0.118085   0.186323   0.032333
+    1SOL     O4    4   0.032712  -0.166578  -0.061021
+    1SOL     H5    5   0.008898  -0.210977   0.020366
+    1SOL     H6    6   0.027501  -0.234783  -0.127978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.069156   0.142226  -0.103550
+    0SOL     H2    2  -0.156116   0.173702  -0.128238
+    0SOL     H3    3  -0.082312   0.099148  -0.019089
+    1SOL     O4    4   0.072073  -0.143742   0.106686
+    1SOL     H5    5   0.128002  -0.070220   0.081613
+    1SOL     H6    6   0.051164  -0.187267   0.024037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.182224  -0.008227   0.035428
+    0SOL     H2    2   0.168477   0.082409   0.007888
+    0SOL     H3    3   0.254964  -0.003684   0.097481
+    1SOL     O4    4  -0.180303  -0.000512  -0.036681
+    1SOL     H5    5  -0.268699  -0.030673  -0.015732
+    1SOL     H6    6  -0.192798   0.087340  -0.072572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.182863  -0.019613  -0.077908
+    0SOL     H2    2   0.147683   0.068760  -0.067192
+    0SOL     H3    3   0.106963  -0.072965  -0.101469
+    1SOL     O4    4  -0.171744   0.021325   0.075198
+    1SOL     H5    5  -0.168746  -0.062242   0.121780
+    1SOL     H6    6  -0.261959   0.051502   0.085826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039622   0.034285   0.190908
+    0SOL     H2    2  -0.051636  -0.046817   0.141507
+    0SOL     H3    3   0.013553   0.008804   0.266309
+    1SOL     O4    4   0.037676  -0.029817  -0.185785
+    1SOL     H5    5  -0.035758   0.009697  -0.232780
+    1SOL     H6    6   0.105391  -0.041385  -0.252442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.138994  -0.038250   0.135591
+    0SOL     H2    2   0.139152  -0.048801   0.040454
+    0SOL     H3    3   0.177171  -0.119499   0.168811
+    1SOL     O4    4  -0.140296   0.048728  -0.127912
+    1SOL     H5    5  -0.132820  -0.044844  -0.109182
+    1SOL     H6    6  -0.164787   0.052817  -0.220356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061893   0.071773   0.176377
+    0SOL     H2    2   0.121914   0.121924   0.121199
+    0SOL     H3    3   0.107516  -0.010799   0.192586
+    1SOL     O4    4  -0.069530  -0.076480  -0.174148
+    1SOL     H5    5  -0.102226  -0.010823  -0.112646
+    1SOL     H6    6  -0.013634  -0.027289  -0.234299
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.098485  -0.021369   0.176272
+    0SOL     H2    2   0.061029  -0.102652   0.210220
+    0SOL     H3    3   0.173414  -0.049552   0.123797
+    1SOL     O4    4  -0.098991   0.021592  -0.175953
+    1SOL     H5    5  -0.122575   0.086942  -0.241797
+    1SOL     H6    6  -0.106375   0.067870  -0.092489
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075220  -0.111433   0.163073
+    0SOL     H2    2   0.126506  -0.134946   0.085747
+    0SOL     H3    3   0.077659  -0.015771   0.165310
+    1SOL     O4    4  -0.079846   0.102896  -0.154166
+    1SOL     H5    5  -0.005376   0.162922  -0.150503
+    1SOL     H6    6  -0.122581   0.122730  -0.237488
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028813   0.190358   0.126879
+    0SOL     H2    2   0.003801   0.098889   0.139923
+    0SOL     H3    3   0.008529   0.207916   0.034995
+    1SOL     O4    4  -0.024027  -0.191359  -0.117968
+    1SOL     H5    5   0.030127  -0.129670  -0.167203
+    1SOL     H6    6  -0.113896  -0.169091  -0.142260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031984  -0.217671   0.054636
+    0SOL     H2    2  -0.123077  -0.204865   0.081104
+    0SOL     H3    3  -0.034233  -0.294137  -0.002897
+    1SOL     O4    4   0.034681   0.218529  -0.058989
+    1SOL     H5    5   0.122974   0.202100  -0.025871
+    1SOL     H6    6  -0.003401   0.280040   0.003689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093037  -0.186767   0.101109
+    0SOL     H2    2   0.174333  -0.166525   0.147408
+    0SOL     H3    3   0.040688  -0.235504   0.164722
+    1SOL     O4    4  -0.090577   0.182855  -0.107520
+    1SOL     H5    5  -0.121836   0.234720  -0.033390
+    1SOL     H6    6  -0.128710   0.225372  -0.184335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072867   0.187819  -0.119219
+    0SOL     H2    2  -0.001322   0.245038  -0.099614
+    0SOL     H3    3   0.148754   0.233735  -0.083231
+    1SOL     O4    4  -0.070176  -0.192776   0.122327
+    1SOL     H5    5  -0.069036  -0.276285   0.075558
+    1SOL     H6    6  -0.117676  -0.133371   0.064213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050413  -0.201951   0.127625
+    0SOL     H2    2  -0.055367  -0.111659   0.096238
+    0SOL     H3    3   0.039640  -0.211694   0.158574
+    1SOL     O4    4   0.043489   0.200670  -0.121849
+    1SOL     H5    5   0.006280   0.124728  -0.166690
+    1SOL     H6    6   0.115200   0.229211  -0.178462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051205  -0.195956   0.149067
+    0SOL     H2    2  -0.015517  -0.124299   0.096589
+    0SOL     H3    3  -0.066233  -0.266563   0.086209
+    1SOL     O4    4   0.049739   0.199773  -0.137291
+    1SOL     H5    5  -0.023043   0.151790  -0.176822
+    1SOL     H6    6   0.125554   0.176975  -0.191093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.107207  -0.141893  -0.182904
+    0SOL     H2    2   0.090611  -0.190227  -0.263840
+    0SOL     H3    3   0.151193  -0.204950  -0.125883
+    1SOL     O4    4  -0.103732   0.148535   0.179529
+    1SOL     H5    5  -0.189679   0.190558   0.182609
+    1SOL     H6    6  -0.100958   0.093792   0.258001
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097916   0.017960  -0.237654
+    0SOL     H2    2  -0.145722   0.090924  -0.198245
+    0SOL     H3    3  -0.050185   0.057227  -0.310744
+    1SOL     O4    4   0.094873  -0.026656   0.234587
+    1SOL     H5    5   0.089669   0.061008   0.272669
+    1SOL     H6    6   0.153982  -0.074577   0.292656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076796  -0.107825  -0.301903
+    0SOL     H2    2  -0.003474  -0.132040  -0.245336
+    0SOL     H3    3  -0.148112  -0.087510  -0.241375
+    1SOL     O4    4   0.076875   0.115350   0.296557
+    1SOL     H5    5   0.126774   0.048661   0.343727
+    1SOL     H6    6   0.022561   0.065801   0.235261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097655   0.117831  -0.293965
+    0SOL     H2    2   0.083545   0.190186  -0.232907
+    0SOL     H3    3   0.077040   0.154588  -0.379909
+    1SOL     O4    4  -0.093288  -0.121088   0.290417
+    1SOL     H5    5  -0.168342  -0.180481   0.291730
+    1SOL     H6    6  -0.062771  -0.118969   0.381117
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046632   0.318534   0.087434
+    0SOL     H2    2  -0.108745   0.370596   0.138363
+    0SOL     H3    3  -0.074680   0.329794  -0.003389
+    1SOL     O4    4   0.046452  -0.324273  -0.088999
+    1SOL     H5    5   0.134397  -0.362062  -0.089216
+    1SOL     H6    6   0.051260  -0.252659  -0.025669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095928  -0.367343  -0.137999
+    0SOL     H2    2  -0.044325  -0.438810  -0.175309
+    0SOL     H3    3  -0.055423  -0.350353  -0.052952
+    1SOL     O4    4   0.090949   0.363957   0.136548
+    1SOL     H5    5   0.098749   0.433342   0.202025
+    1SOL     H6    6   0.084379   0.410354   0.053082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.103301   0.437925   0.030271
+    0SOL     H2    2   0.089277   0.508683   0.093191
+    0SOL     H3    3   0.192300   0.407419   0.047904
+    1SOL     O4    4  -0.105317  -0.435684  -0.031326
+    1SOL     H5    5  -0.059993  -0.515468  -0.058577
+    1SOL     H6    6  -0.191971  -0.442421  -0.071427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055600   0.181057   0.438858
+    0SOL     H2    2  -0.010169   0.151726   0.501916
+    0SOL     H3    3   0.028859   0.141244   0.356020
+    1SOL     O4    4  -0.051812  -0.179327  -0.432901
+    1SOL     H5    5  -0.030329  -0.218632  -0.517493
+    1SOL     H6    6  -0.030301  -0.086642  -0.443346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028740   0.482991  -0.069168
+    0SOL     H2    2   0.097877   0.418019  -0.056480
+    0SOL     H3    3  -0.045919   0.432583  -0.101531
+    1SOL     O4    4  -0.031382  -0.472300   0.066504
+    1SOL     H5    5   0.004861  -0.466129   0.154882
+    1SOL     H6    6  -0.017263  -0.563499   0.041089
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000813  -0.418573   0.326946
+    0SOL     H2    2   0.030455  -0.447024   0.241067
+    0SOL     H3    3   0.065367  -0.450409   0.388338
+    1SOL     O4    4   0.003376   0.420861  -0.324706
+    1SOL     H5    5  -0.063415   0.354480  -0.307532
+    1SOL     H6    6  -0.045557   0.496083  -0.358015
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.395563  -0.242313  -0.307588
+    0SOL     H2    2  -0.331246  -0.228910  -0.377200
+    0SOL     H3    3  -0.403648  -0.337417  -0.300370
+    1SOL     O4    4   0.394392   0.243421   0.316389
+    1SOL     H5    5   0.411150   0.334591   0.292524
+    1SOL     H6    6   0.344100   0.208242   0.242935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013608   0.452819   0.324154
+    0SOL     H2    2  -0.074538   0.483620   0.303083
+    0SOL     H3    3   0.050642   0.521850   0.379160
+    1SOL     O4    4  -0.006482  -0.460486  -0.322034
+    1SOL     H5    5  -0.085268  -0.410962  -0.299619
+    1SOL     H6    6  -0.012377  -0.473403  -0.416695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088752   0.198654   0.534040
+    0SOL     H2    2  -0.174360   0.172846   0.499870
+    0SOL     H3    3  -0.105506   0.279809   0.581950
+    1SOL     O4    4   0.090861  -0.205900  -0.539002
+    1SOL     H5    5   0.165220  -0.220328  -0.480480
+    1SOL     H6    6   0.065234  -0.115023  -0.523290
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039238  -0.055278  -0.107131
+    0SOL     H2    2  -0.119237  -0.002950  -0.102201
+    0SOL     H3    3   0.013067  -0.012807  -0.175123
+    1SOL     O4    4   0.037921   0.047055   0.115609
+    1SOL     H5    5   0.028742   0.029035   0.022050
+    1SOL     H6    6   0.107107   0.113010   0.120670
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062960  -0.007057   0.109614
+    0SOL     H2    2   0.087956  -0.098738   0.098125
+    0SOL     H3    3   0.022675  -0.003858   0.196386
+    1SOL     O4    4  -0.059925   0.008546  -0.119284
+    1SOL     H5    5  -0.013126   0.016905  -0.036204
+    1SOL     H6    6  -0.143517   0.052703  -0.104290
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054912  -0.120565   0.013146
+    0SOL     H2    2  -0.011127  -0.188859   0.001434
+    0SOL     H3    3   0.006694  -0.038528   0.002790
+    1SOL     O4    4  -0.047778   0.112802  -0.012894
+    1SOL     H5    5   0.008213   0.180861  -0.050248
+    1SOL     H6    6  -0.111414   0.160592   0.040294
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060677   0.023753  -0.121649
+    0SOL     H2    2   0.093763  -0.063547  -0.100522
+    0SOL     H3    3   0.003353   0.046088  -0.048317
+    1SOL     O4    4  -0.055641  -0.015419   0.112972
+    1SOL     H5    5  -0.149499  -0.031599   0.103426
+    1SOL     H6    6  -0.027518  -0.076675   0.180936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062393  -0.119530   0.016271
+    0SOL     H2    2  -0.037377  -0.031279  -0.011084
+    0SOL     H3    3  -0.154711  -0.126892  -0.007930
+    1SOL     O4    4   0.067762   0.108313  -0.016005
+    1SOL     H5    5   0.133047   0.166288   0.023227
+    1SOL     H6    6  -0.014684   0.156333  -0.008323
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008662  -0.075207   0.105414
+    0SOL     H2    2  -0.029186  -0.014482   0.168994
+    0SOL     H3    3  -0.037912  -0.157519   0.120175
+    1SOL     O4    4  -0.002804   0.077124  -0.116933
+    1SOL     H5    5   0.005413  -0.002433  -0.064345
+    1SOL     H6    6  -0.026388   0.145212  -0.053925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007252   0.129155  -0.002002
+    0SOL     H2    2   0.062131   0.184723  -0.057344
+    0SOL     H3    3  -0.073900   0.178747   0.008828
+    1SOL     O4    4  -0.001805  -0.139430   0.002540
+    1SOL     H5    5  -0.088599  -0.155078   0.039746
+    1SOL     H6    6   0.008527  -0.044299   0.004909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076805   0.089230  -0.075719
+    0SOL     H2    2   0.035819   0.025283  -0.017468
+    0SOL     H3    3   0.015217   0.162466  -0.078092
+    1SOL     O4    4  -0.066080  -0.085681   0.074544
+    1SOL     H5    5  -0.159512  -0.065311   0.070302
+    1SOL     H6    6  -0.059618  -0.175546   0.042223
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072657   0.041191   0.114978
+    0SOL     H2    2  -0.082592  -0.052848   0.129814
+    0SOL     H3    3  -0.038540   0.047945   0.025800
+    1SOL     O4    4   0.070120  -0.032524  -0.105049
+    1SOL     H5    5   0.093168   0.003303  -0.190767
+    1SOL     H6    6   0.067048  -0.127222  -0.118656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125398  -0.018509  -0.038953
+    0SOL     H2    2   0.163689  -0.091710   0.009397
+    0SOL     H3    3   0.173224   0.058383  -0.007927
+    1SOL     O4    4  -0.134333   0.021872   0.039460
+    1SOL     H5    5  -0.040015   0.010437   0.027817
+    1SOL     H6    6  -0.173378  -0.022794  -0.035657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068950   0.084062  -0.074689
+    0SOL     H2    2  -0.050550   0.161961  -0.127182
+    0SOL     H3    3  -0.123285   0.029252  -0.131311
+    1SOL     O4    4   0.077187  -0.086419   0.079592
+    1SOL     H5    5   0.015678  -0.129607   0.138868
+    1SOL     H6    6   0.023442  -0.024523   0.030167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092487  -0.105924   0.004667
+    0SOL     H2    2  -0.151720  -0.083145   0.076325
+    0SOL     H3    3  -0.020236  -0.043633   0.012532
+    1SOL     O4    4   0.088657   0.095099  -0.007939
+    1SOL     H5    5   0.097424   0.142771  -0.090480
+    1SOL     H6    6   0.130679   0.151539   0.056952
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062328   0.098440  -0.082222
+    0SOL     H2    2   0.142816   0.050362  -0.062921
+    0SOL     H3    3  -0.005762   0.051627  -0.033904
+    1SOL     O4    4  -0.065553  -0.088991   0.073108
+    1SOL     H5    5  -0.033305  -0.058948   0.158077
+    1SOL     H6    6  -0.058381  -0.184359   0.077070
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016328  -0.026205  -0.139390
+    0SOL     H2    2  -0.013817   0.011433  -0.051416
+    0SOL     H3    3  -0.077277  -0.099674  -0.132330
+    1SOL     O4    4   0.020775   0.027185   0.126675
+    1SOL     H5    5   0.019054  -0.037965   0.196781
+    1SOL     H6    6   0.004978   0.110546   0.170987
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108865   0.000312   0.075211
+    0SOL     H2    2   0.202178   0.021397   0.071982
+    0SOL     H3    3   0.104426  -0.081379   0.124902
+    1SOL     O4    4  -0.118233   0.007767  -0.080960
+    1SOL     H5    5  -0.033035   0.025121  -0.040927
+    1SOL     H6    6  -0.131704  -0.086232  -0.068925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090294   0.003254   0.099117
+    0SOL     H2    2   0.036010   0.046203   0.165230
+    0SOL     H3    3   0.170102   0.055989   0.095643
+    1SOL     O4    4  -0.091187  -0.012365  -0.108437
+    1SOL     H5    5  -0.039671  -0.016098  -0.027849
+    1SOL     H6    6  -0.156773   0.055360  -0.091879
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.005645   0.135459  -0.045360
+    0SOL     H2    2   0.014210   0.042798  -0.022937
+    0SOL     H3    3   0.092429   0.160630  -0.076940
+    1SOL     O4    4  -0.010316  -0.125686   0.047260
+    1SOL     H5    5  -0.090077  -0.172289   0.022184
+    1SOL     H6    6   0.058024  -0.192697   0.046032
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036622   0.123328  -0.064746
+    0SOL     H2    2  -0.018182   0.045280  -0.012489
+    0SOL     H3    3  -0.005694   0.101245  -0.152599
+    1SOL     O4    4   0.038876  -0.113668   0.062828
+    1SOL     H5    5   0.017085  -0.107779   0.155849
+    1SOL     H6    6  -0.017049  -0.183827   0.029474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036231   0.073461   0.108903
+    0SOL     H2    2   0.026048   0.137094   0.144036
+    0SOL     H3    3  -0.032768   0.000087   0.170276
+    1SOL     O4    4   0.037789  -0.077496  -0.115255
+    1SOL     H5    5  -0.027772  -0.061452  -0.183127
+    1SOL     H6    6   0.012338  -0.019854  -0.043200
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.142905   0.015000   0.017751
+    0SOL     H2    2  -0.047443   0.007999   0.018385
+    0SOL     H3    3  -0.168228  -0.010202  -0.071051
+    1SOL     O4    4   0.134028  -0.008230  -0.013828
+    1SOL     H5    5   0.160358  -0.042868   0.071432
+    1SOL     H6    6   0.187709  -0.056266  -0.076863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050338   0.131634   0.029742
+    0SOL     H2    2  -0.079757   0.121218   0.120231
+    0SOL     H3    3  -0.018766   0.044831   0.004628
+    1SOL     O4    4   0.044780  -0.125188  -0.030174
+    1SOL     H5    5   0.132754  -0.139930   0.004546
+    1SOL     H6    6   0.055252  -0.130595  -0.125166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132704  -0.017292  -0.014198
+    0SOL     H2    2  -0.204534   0.025102   0.032765
+    0SOL     H3    3  -0.166370  -0.104155  -0.036191
+    1SOL     O4    4   0.142353   0.016110   0.016057
+    1SOL     H5    5   0.047582   0.016522   0.029499
+    1SOL     H6    6   0.157411   0.083014  -0.050722
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060720  -0.068928   0.102684
+    0SOL     H2    2   0.021340  -0.090703   0.146892
+    0SOL     H3    3  -0.102420  -0.004482   0.159869
+    1SOL     O4    4   0.062358   0.065068  -0.114226
+    1SOL     H5    5   0.045929   0.150126  -0.073513
+    1SOL     H6    6   0.006816   0.004087  -0.065659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124793   0.002526  -0.056398
+    0SOL     H2    2   0.217702   0.024539  -0.049650
+    0SOL     H3    3   0.092107   0.057868  -0.127328
+    1SOL     O4    4  -0.133112  -0.009540   0.061391
+    1SOL     H5    5  -0.076305   0.039992   0.120398
+    1SOL     H6    6  -0.090727  -0.002617  -0.024154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035780   0.115808   0.064183
+    0SOL     H2    2   0.106125   0.173021   0.033514
+    0SOL     H3    3   0.069861   0.076936   0.144741
+    1SOL     O4    4  -0.039961  -0.121493  -0.072167
+    1SOL     H5    5  -0.130621  -0.096780  -0.053938
+    1SOL     H6    6   0.011613  -0.072476  -0.008137
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103864  -0.086448   0.049725
+    0SOL     H2    2  -0.191861  -0.076105   0.013506
+    0SOL     H3    3  -0.060640  -0.002905   0.031986
+    1SOL     O4    4   0.101356   0.081388  -0.043808
+    1SOL     H5    5   0.108266   0.067381  -0.138245
+    1SOL     H6    6   0.191667   0.094146  -0.014767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122957   0.057335  -0.058247
+    0SOL     H2    2  -0.061251  -0.009831  -0.029207
+    0SOL     H3    3  -0.149989   0.101507   0.022255
+    1SOL     O4    4   0.117438  -0.050931   0.048742
+    1SOL     H5    5   0.104051  -0.144823   0.035802
+    1SOL     H6    6   0.189600  -0.045387   0.111386
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082888  -0.113581  -0.032882
+    0SOL     H2    2  -0.003603  -0.069631  -0.002149
+    0SOL     H3    3  -0.052321  -0.198269  -0.065377
+    1SOL     O4    4   0.072927   0.110918   0.036292
+    1SOL     H5    5   0.048829   0.151385  -0.047039
+    1SOL     H6    6   0.152594   0.156730   0.063066
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073721   0.127370  -0.005176
+    0SOL     H2    2  -0.158880   0.116425  -0.047490
+    0SOL     H3    3  -0.037487   0.038875  -0.000920
+    1SOL     O4    4   0.070571  -0.118849   0.006598
+    1SOL     H5    5   0.146336  -0.108991  -0.051063
+    1SOL     H6    6   0.103033  -0.170682   0.080231
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110623   0.084165   0.035479
+    0SOL     H2    2  -0.046461   0.146538   0.069468
+    0SOL     H3    3  -0.143588   0.038932   0.113129
+    1SOL     O4    4   0.112957  -0.089127  -0.038869
+    1SOL     H5    5   0.041949  -0.034636  -0.004944
+    1SOL     H6    6   0.108764  -0.077644  -0.133805
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054992   0.138402  -0.003423
+    0SOL     H2    2   0.021130   0.191659  -0.026478
+    0SOL     H3    3  -0.025671   0.048098  -0.015579
+    1SOL     O4    4   0.050906  -0.130512   0.005430
+    1SOL     H5    5  -0.015776  -0.170209  -0.050605
+    1SOL     H6    6   0.081213  -0.202203   0.061147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062349  -0.026643  -0.133224
+    0SOL     H2    2  -0.104760  -0.111291  -0.119139
+    0SOL     H3    3  -0.023986  -0.004603  -0.048343
+    1SOL     O4    4   0.060934   0.034209   0.122990
+    1SOL     H5    5   0.005579  -0.007721   0.188868
+    1SOL     H6    6   0.149242   0.002711   0.142273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039234  -0.044663   0.134831
+    0SOL     H2    2   0.065419   0.010572   0.208491
+    0SOL     H3    3  -0.003122   0.015491   0.073595
+    1SOL     O4    4  -0.042473   0.042413  -0.130727
+    1SOL     H5    5  -0.046247  -0.048979  -0.158932
+    1SOL     H6    6   0.029297   0.080258  -0.181511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.089408  -0.033641   0.111050
+    0SOL     H2    2   0.021889   0.030351   0.088497
+    0SOL     H3    3   0.142348   0.009873   0.177880
+    1SOL     O4    4  -0.085820   0.025672  -0.107272
+    1SOL     H5    5  -0.035138   0.045627  -0.185984
+    1SOL     H6    6  -0.176706   0.042027  -0.132462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090613  -0.064294  -0.103627
+    0SOL     H2    2   0.054291   0.017652  -0.070044
+    0SOL     H3    3   0.109810  -0.115905  -0.025331
+    1SOL     O4    4  -0.087679   0.060535   0.091388
+    1SOL     H5    5  -0.137658   0.138794   0.114626
+    1SOL     H6    6  -0.070608   0.017246   0.175035
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089227   0.090217  -0.060915
+    0SOL     H2    2  -0.111086   0.175955  -0.024397
+    0SOL     H3    3  -0.159281   0.072276  -0.123628
+    1SOL     O4    4   0.095015  -0.092707   0.069011
+    1SOL     H5    5   0.126054  -0.174943   0.031114
+    1SOL     H6    6   0.061710  -0.042933  -0.005659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.138134   0.030488  -0.055407
+    0SOL     H2    2  -0.202937   0.089805  -0.017400
+    0SOL     H3    3  -0.074837   0.015868   0.014893
+    1SOL     O4    4   0.140306  -0.038971   0.047540
+    1SOL     H5    5   0.119850   0.035020  -0.009636
+    1SOL     H6    6   0.121229  -0.007117   0.135765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012693  -0.083583  -0.122172
+    0SOL     H2    2   0.060625  -0.144585  -0.114084
+    0SOL     H3    3   0.015939  -0.020238  -0.187974
+    1SOL     O4    4   0.010133   0.088219   0.127712
+    1SOL     H5    5   0.011843   0.052579   0.038891
+    1SOL     H6    6  -0.050277   0.031213   0.175286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061601  -0.037227   0.130689
+    0SOL     H2    2   0.023958  -0.076457   0.148096
+    0SOL     H3    3  -0.122402  -0.111156   0.130960
+    1SOL     O4    4   0.062379   0.046882  -0.137488
+    1SOL     H5    5  -0.024666   0.012209  -0.117909
+    1SOL     H6    6   0.113977   0.027836  -0.059148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025933  -0.108072  -0.114160
+    0SOL     H2    2  -0.057426  -0.092374  -0.069809
+    0SOL     H3    3   0.067455  -0.021931  -0.118405
+    1SOL     O4    4  -0.027952   0.105550   0.115194
+    1SOL     H5    5   0.025310   0.032960   0.147692
+    1SOL     H6    6  -0.001636   0.115547   0.023707
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045124  -0.126634  -0.084808
+    0SOL     H2    2  -0.037114  -0.068424  -0.009246
+    0SOL     H3    3  -0.004855  -0.078135  -0.156839
+    1SOL     O4    4   0.047682   0.117825   0.080470
+    1SOL     H5    5  -0.044449   0.127568   0.056399
+    1SOL     H6    6   0.051849   0.146692   0.171638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003364  -0.047240   0.139954
+    0SOL     H2    2   0.020191  -0.013871   0.228077
+    0SOL     H3    3  -0.078618  -0.095990   0.148001
+    1SOL     O4    4   0.003705   0.049272  -0.151830
+    1SOL     H5    5  -0.073947   0.093741  -0.117843
+    1SOL     H6    6   0.028490  -0.012012  -0.082604
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023151   0.118308  -0.098233
+    0SOL     H2    2  -0.066848   0.140034  -0.073933
+    0SOL     H3    3   0.077027   0.179040  -0.047524
+    1SOL     O4    4  -0.019263  -0.124569   0.100362
+    1SOL     H5    5  -0.082302  -0.172554   0.046641
+    1SOL     H6    6   0.006797  -0.050161   0.046080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.100322  -0.075134  -0.094055
+    0SOL     H2    2   0.011512  -0.078978  -0.058553
+    0SOL     H3    3   0.095805  -0.125245  -0.175485
+    1SOL     O4    4  -0.098559   0.072361   0.093349
+    1SOL     H5    5  -0.021861   0.070266   0.150580
+    1SOL     H6    6  -0.122920   0.164838   0.089242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083602  -0.003548  -0.127487
+    0SOL     H2    2   0.060228   0.032294  -0.213110
+    0SOL     H3    3   0.114153  -0.092319  -0.146157
+    1SOL     O4    4  -0.089656   0.010667   0.133068
+    1SOL     H5    5  -0.082534  -0.081719   0.157078
+    1SOL     H6    6   0.000024   0.037117   0.112567
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042925  -0.065121  -0.140325
+    0SOL     H2    2  -0.113319  -0.126495  -0.119343
+    0SOL     H3    3   0.014772  -0.067772  -0.063995
+    1SOL     O4    4   0.048518   0.065474   0.131565
+    1SOL     H5    5   0.049174   0.160668   0.141566
+    1SOL     H6    6  -0.031837   0.037303   0.175289
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059334   0.144981  -0.043483
+    0SOL     H2    2  -0.026343   0.056466  -0.028027
+    0SOL     H3    3  -0.153364   0.138824  -0.026665
+    1SOL     O4    4   0.061600  -0.134573   0.037789
+    1SOL     H5    5   0.041049  -0.141810   0.130996
+    1SOL     H6    6   0.102012  -0.218443   0.015541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037361  -0.029154   0.154468
+    0SOL     H2    2   0.078699  -0.110716   0.182771
+    0SOL     H3    3   0.043542  -0.030997   0.058966
+    1SOL     O4    4  -0.036247   0.039786  -0.148203
+    1SOL     H5    5  -0.008248  -0.033163  -0.203492
+    1SOL     H6    6  -0.126914   0.019214  -0.125427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007354  -0.077130  -0.141815
+    0SOL     H2    2   0.051338  -0.045825  -0.062773
+    0SOL     H3    3   0.047717  -0.027476  -0.213003
+    1SOL     O4    4  -0.018717   0.074597   0.139549
+    1SOL     H5    5   0.010265  -0.016434   0.145519
+    1SOL     H6    6   0.057420   0.125854   0.166721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075917  -0.145201  -0.007951
+    0SOL     H2    2   0.090441  -0.167346   0.084033
+    0SOL     H3    3   0.124396  -0.063697  -0.020958
+    1SOL     O4    4  -0.078711   0.145552   0.008550
+    1SOL     H5    5  -0.062549   0.051219   0.006983
+    1SOL     H6    6  -0.110456   0.165926  -0.079424
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057164  -0.121383  -0.087008
+    0SOL     H2    2   0.028012  -0.150200  -0.119826
+    0SOL     H3    3  -0.114687  -0.124643  -0.163446
+    1SOL     O4    4   0.054372   0.130247   0.094409
+    1SOL     H5    5   0.118006   0.076131   0.141148
+    1SOL     H6    6   0.007371   0.068770   0.038072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026865   0.009347  -0.158509
+    0SOL     H2    2   0.065577  -0.014808  -0.152750
+    0SOL     H3    3  -0.054064  -0.020345  -0.245348
+    1SOL     O4    4   0.022001   0.000120   0.165798
+    1SOL     H5    5  -0.043831  -0.068478   0.154724
+    1SOL     H6    6   0.103101  -0.038975   0.133292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051313   0.150456  -0.050254
+    0SOL     H2    2   0.066056   0.055898  -0.052173
+    0SOL     H3    3   0.062806   0.178384  -0.141085
+    1SOL     O4    4  -0.049604  -0.143424   0.051216
+    1SOL     H5    5  -0.138191  -0.133441   0.086074
+    1SOL     H6    6  -0.014251  -0.219688   0.097000
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042264   0.013916   0.153787
+    0SOL     H2    2   0.093919   0.010619   0.234305
+    0SOL     H3    3  -0.034990   0.065477   0.176929
+    1SOL     O4    4  -0.042165  -0.019969  -0.165797
+    1SOL     H5    5   0.025798  -0.046009  -0.103627
+    1SOL     H6    6  -0.081658   0.058062  -0.126889
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122114  -0.100385  -0.058081
+    0SOL     H2    2   0.162175  -0.097896  -0.144979
+    0SOL     H3    3   0.072743  -0.018601  -0.052064
+    1SOL     O4    4  -0.116848   0.099145   0.062416
+    1SOL     H5    5  -0.146597   0.047922   0.137606
+    1SOL     H6    6  -0.179537   0.078595  -0.006939
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084684  -0.096742  -0.123499
+    0SOL     H2    2   0.001543  -0.106986  -0.083221
+    0SOL     H3    3  -0.137771  -0.054313  -0.056091
+    1SOL     O4    4   0.076650   0.093913   0.116514
+    1SOL     H5    5   0.144845   0.091694   0.049382
+    1SOL     H6    6   0.123134   0.115991   0.197223
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128045   0.097838   0.076481
+    0SOL     H2    2   0.167607   0.010969   0.083627
+    0SOL     H3    3   0.122076   0.113815  -0.017708
+    1SOL     O4    4  -0.127231  -0.093438  -0.078294
+    1SOL     H5    5  -0.164347  -0.023811  -0.024101
+    1SOL     H6    6  -0.135075  -0.172343  -0.024677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025610   0.127382   0.127067
+    0SOL     H2    2   0.101006   0.077930   0.094938
+    0SOL     H3    3   0.050319   0.219114   0.115359
+    1SOL     O4    4  -0.034894  -0.129439  -0.129269
+    1SOL     H5    5  -0.057159  -0.176031  -0.048672
+    1SOL     H6    6   0.052805  -0.094535  -0.113366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085097  -0.135013  -0.112862
+    0SOL     H2    2   0.014535  -0.195651  -0.090357
+    0SOL     H3    3   0.135522  -0.125806  -0.032024
+    1SOL     O4    4  -0.088533   0.133226   0.110593
+    1SOL     H5    5  -0.100261   0.227111   0.096091
+    1SOL     H6    6  -0.003337   0.113396   0.071726
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092875   0.172371  -0.025898
+    0SOL     H2    2  -0.091876   0.256402   0.019929
+    0SOL     H3    3  -0.140602   0.113639   0.032710
+    1SOL     O4    4   0.098269  -0.171037   0.024608
+    1SOL     H5    5   0.066649  -0.261290   0.020489
+    1SOL     H6    6   0.080541  -0.135400  -0.062443
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017957   0.120331  -0.156025
+    0SOL     H2    2  -0.055437   0.068996  -0.189793
+    0SOL     H3    3  -0.011933   0.211125  -0.161059
+    1SOL     O4    4  -0.013815  -0.125066   0.163416
+    1SOL     H5    5   0.027279  -0.168177   0.088482
+    1SOL     H6    6  -0.020941  -0.033244   0.137336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046962  -0.165318  -0.106091
+    0SOL     H2    2   0.083267  -0.143048  -0.020368
+    0SOL     H3    3   0.118936  -0.150085  -0.167328
+    1SOL     O4    4  -0.048895   0.159339   0.108847
+    1SOL     H5    5  -0.073277   0.251793   0.113321
+    1SOL     H6    6  -0.094222   0.126292   0.031287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025506   0.136937  -0.166288
+    0SOL     H2    2   0.024352   0.075376  -0.220016
+    0SOL     H3    3  -0.009146   0.108909  -0.076237
+    1SOL     O4    4   0.015977  -0.131716   0.166055
+    1SOL     H5    5   0.076476  -0.061687   0.141596
+    1SOL     H6    6   0.067826  -0.211849   0.158791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015096  -0.172723   0.148155
+    0SOL     H2    2  -0.056501  -0.121830   0.110126
+    0SOL     H3    3   0.093068  -0.143393   0.101013
+    1SOL     O4    4  -0.014785   0.162607  -0.140274
+    1SOL     H5    5   0.055339   0.205799  -0.189053
+    1SOL     H6    6  -0.089748   0.221518  -0.148783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040765   0.110231  -0.182769
+    0SOL     H2    2   0.101466   0.182110  -0.200409
+    0SOL     H3    3   0.032041   0.065042  -0.266698
+    1SOL     O4    4  -0.049009  -0.109510   0.191533
+    1SOL     H5    5   0.010331  -0.174437   0.229290
+    1SOL     H6    6  -0.010742  -0.088726   0.106292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060284   0.121857  -0.181675
+    0SOL     H2    2   0.149088   0.086211  -0.179299
+    0SOL     H3    3   0.068292   0.208857  -0.142570
+    1SOL     O4    4  -0.062325  -0.121189   0.183567
+    1SOL     H5    5  -0.041909  -0.208924   0.151193
+    1SOL     H6    6  -0.144123  -0.097845   0.139677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062647  -0.070824  -0.204137
+    0SOL     H2    2  -0.009120  -0.132586  -0.190096
+    0SOL     H3    3   0.104158  -0.100294  -0.285197
+    1SOL     O4    4  -0.063769   0.078716   0.213136
+    1SOL     H5    5  -0.100263   0.013087   0.153778
+    1SOL     H6    6   0.024193   0.095423   0.179284
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111541   0.198708  -0.081069
+    0SOL     H2    2   0.170496   0.125727  -0.100051
+    0SOL     H3    3   0.035790   0.158047  -0.038989
+    1SOL     O4    4  -0.114512  -0.190944   0.084802
+    1SOL     H5    5  -0.038167  -0.248278   0.091629
+    1SOL     H6    6  -0.118711  -0.167511  -0.007911
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030518  -0.022721   0.259259
+    0SOL     H2    2   0.068678  -0.000772   0.174263
+    0SOL     H3    3   0.077632   0.032461   0.321688
+    1SOL     O4    4  -0.033771   0.016389  -0.251803
+    1SOL     H5    5  -0.005843  -0.022667  -0.334609
+    1SOL     H6    6  -0.094395   0.085934  -0.277310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067355  -0.202554  -0.155717
+    0SOL     H2    2   0.039792  -0.288786  -0.124625
+    0SOL     H3    3   0.162752  -0.208327  -0.161042
+    1SOL     O4    4  -0.069332   0.202218   0.155356
+    1SOL     H5    5  -0.011345   0.275764   0.135585
+    1SOL     H6    6  -0.157355   0.239752   0.153001
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039961   0.110855  -0.246597
+    0SOL     H2    2   0.107015   0.051055  -0.279612
+    0SOL     H3    3   0.059655   0.194562  -0.288639
+    1SOL     O4    4  -0.045773  -0.118842   0.247446
+    1SOL     H5    5  -0.103544  -0.082953   0.314802
+    1SOL     H6    6   0.023061  -0.053097   0.237350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088863   0.268713   0.038780
+    0SOL     H2    2   0.168786   0.281883   0.089782
+    0SOL     H3    3   0.022562   0.320697   0.084213
+    1SOL     O4    4  -0.093032  -0.270768  -0.050332
+    1SOL     H5    5   0.001399  -0.269190  -0.034758
+    1SOL     H6    6  -0.130137  -0.305721   0.030685
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023357  -0.292945   0.030482
+    0SOL     H2    2  -0.114145  -0.262921   0.026182
+    0SOL     H3    3  -0.012983  -0.349088  -0.046347
+    1SOL     O4    4   0.030932   0.295430  -0.019292
+    1SOL     H5    5  -0.011447   0.360797  -0.074911
+    1SOL     H6    6   0.025484   0.214083  -0.069443
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044346  -0.004707  -0.293359
+    0SOL     H2    2  -0.030328  -0.048854  -0.377125
+    0SOL     H3    3  -0.075677  -0.073668  -0.234834
+    1SOL     O4    4   0.041894   0.006485   0.299214
+    1SOL     H5    5   0.081781  -0.022626   0.217215
+    1SOL     H6    6   0.060375   0.100332   0.302901
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015142  -0.031020   0.293774
+    0SOL     H2    2  -0.076289  -0.046516   0.270056
+    0SOL     H3    3   0.012321  -0.008434   0.386748
+    1SOL     O4    4  -0.008420   0.036858  -0.300009
+    1SOL     H5    5  -0.091254  -0.005949  -0.278366
+    1SOL     H6    6   0.057762  -0.031119  -0.287301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004620   0.249003   0.244125
+    0SOL     H2    2   0.013927   0.281465   0.333690
+    0SOL     H3    3   0.002554   0.153738   0.253220
+    1SOL     O4    4   0.000730  -0.243171  -0.248109
+    1SOL     H5    5  -0.071909  -0.246874  -0.185883
+    1SOL     H6    6  -0.034832  -0.280496  -0.328760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018717   0.133752  -0.338263
+    0SOL     H2    2  -0.015843   0.055372  -0.380976
+    0SOL     H3    3  -0.019503   0.132098  -0.250520
+    1SOL     O4    4  -0.017155  -0.131488   0.329197
+    1SOL     H5    5   0.031518  -0.050425   0.344101
+    1SOL     H6    6  -0.023320  -0.172026   0.415689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.152897  -0.243656   0.232212
+    0SOL     H2    2   0.198409  -0.308486   0.285952
+    0SOL     H3    3   0.097352  -0.295486   0.173981
+    1SOL     O4    4  -0.157821   0.252347  -0.234834
+    1SOL     H5    5  -0.148177   0.207875  -0.150623
+    1SOL     H6    6  -0.068782   0.257499  -0.269589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085663   0.165049  -0.345376
+    0SOL     H2    2  -0.087050   0.157062  -0.250000
+    0SOL     H3    3  -0.060925   0.256104  -0.361477
+    1SOL     O4    4   0.086645  -0.167079   0.336390
+    1SOL     H5    5   0.012910  -0.135262   0.388479
+    1SOL     H6    6   0.112903  -0.248553   0.379225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.325701  -0.048764  -0.222493
+    0SOL     H2    2  -0.272989   0.005684  -0.164020
+    0SOL     H3    3  -0.282201  -0.134024  -0.221601
+    1SOL     O4    4   0.321412   0.049207   0.212616
+    1SOL     H5    5   0.325452  -0.017983   0.280671
+    1SOL     H6    6   0.304011   0.130465   0.260120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013718   0.508861  -0.133194
+    0SOL     H2    2  -0.029974   0.597108  -0.166517
+    0SOL     H3    3  -0.098208   0.464483  -0.140565
+    1SOL     O4    4   0.020039  -0.515384   0.140470
+    1SOL     H5    5  -0.059964  -0.475455   0.106301
+    1SOL     H6    6   0.089769  -0.480966   0.084654
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099572  -0.520771  -0.217849
+    0SOL     H2    2  -0.033300  -0.452680  -0.206276
+    0SOL     H3    3  -0.174170  -0.490726  -0.165938
+    1SOL     O4    4   0.098328   0.511381   0.218623
+    1SOL     H5    5   0.038866   0.567346   0.168678
+    1SOL     H6    6   0.185466   0.533722   0.185909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062477   0.360252  -0.493009
+    0SOL     H2    2   0.062172   0.264951  -0.501950
+    0SOL     H3    3   0.056421   0.392801  -0.582821
+    1SOL     O4    4  -0.057284  -0.359520   0.495811
+    1SOL     H5    5  -0.086040  -0.269389   0.481257
+    1SOL     H6    6  -0.124326  -0.397192   0.552807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.619860   0.128661   0.144428
+    0SOL     H2    2  -0.599478   0.035718   0.134018
+    0SOL     H3    3  -0.691175   0.144660   0.082617
+    1SOL     O4    4   0.618930  -0.130022  -0.143556
+    1SOL     H5    5   0.670778  -0.064099  -0.189689
+    1SOL     H6    6   0.629182  -0.108118  -0.050941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139509  -0.688284   0.141478
+    0SOL     H2    2   0.228277  -0.663323   0.167159
+    0SOL     H3    3   0.115260  -0.757437   0.203059
+    1SOL     O4    4  -0.147565   0.686314  -0.143412
+    1SOL     H5    5  -0.054761   0.691336  -0.120512
+    1SOL     H6    6  -0.159228   0.752997  -0.211085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.368207   0.570314   0.309675
+    0SOL     H2    2  -0.330831   0.504396   0.251193
+    0SOL     H3    3  -0.456885   0.584333   0.276480
+    1SOL     O4    4   0.368521  -0.571619  -0.309477
+    1SOL     H5    5   0.359625  -0.476326  -0.307886
+    1SOL     H6    6   0.416041  -0.592631  -0.229086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.566011   0.430295  -0.508065
+    0SOL     H2    2   0.488375   0.459132  -0.556058
+    0SOL     H3    3   0.630429   0.499545  -0.522797
+    1SOL     O4    4  -0.565216  -0.440144   0.516612
+    1SOL     H5    5  -0.637915  -0.386622   0.484793
+    1SOL     H6    6  -0.492020  -0.417829   0.459108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.940375  -0.086723   0.273346
+    0SOL     H2    2  -0.894957  -0.164960   0.242066
+    0SOL     H3    3  -1.033323  -0.107514   0.263830
+    1SOL     O4    4   0.944180   0.085390  -0.267962
+    1SOL     H5    5   0.984800   0.118753  -0.347957
+    1SOL     H6    6   0.882756   0.153992  -0.241824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.899652  -0.510614   0.126969
+    0SOL     H2    2   0.865090  -0.573927   0.064046
+    0SOL     H3    3   0.990661  -0.497549   0.100342
+    1SOL     O4    4  -0.906773   0.509153  -0.118512
+    1SOL     H5    5  -0.834282   0.563324  -0.087320
+    1SOL     H6    6  -0.908708   0.523793  -0.213086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   1.015810  -0.261134   0.151825
+    0SOL     H2    2   1.038808  -0.281532   0.242475
+    0SOL     H3    3   0.965278  -0.180040   0.157552
+    1SOL     O4    4  -1.013697   0.253560  -0.160823
+    1SOL     H5    5  -1.050092   0.247904  -0.072473
+    1SOL     H6    6  -0.990652   0.345858  -0.171421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001738  -0.035221   0.123399
+    0SOL     H2    2   0.073174   0.015144   0.155242
+    0SOL     H3    3   0.034932  -0.120414   0.099739
+    1SOL     O4    4  -0.010334   0.037151  -0.128432
+    1SOL     H5    5  -0.012734   0.024741  -0.033550
+    1SOL     H6    6   0.082003   0.052726  -0.148270
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021183  -0.013709   0.134978
+    0SOL     H2    2   0.072738  -0.091130   0.112389
+    0SOL     H3    3   0.000700   0.026897   0.050752
+    1SOL     O4    4  -0.019917   0.015761  -0.123112
+    1SOL     H5    5  -0.095495  -0.037308  -0.148290
+    1SOL     H6    6  -0.006662   0.075204  -0.196957
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021413  -0.111484   0.053769
+    0SOL     H2    2  -0.034786  -0.134771   0.127673
+    0SOL     H3    3   0.091415  -0.176749   0.055353
+    1SOL     O4    4  -0.022968   0.118672  -0.063485
+    1SOL     H5    5  -0.006363   0.027264  -0.040435
+    1SOL     H6    6  -0.027534   0.164177   0.020603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040561  -0.064421  -0.113070
+    0SOL     H2    2   0.061579   0.014781  -0.162543
+    0SOL     H3    3   0.040961  -0.036367  -0.021554
+    1SOL     O4    4  -0.035596   0.056281   0.113798
+    1SOL     H5    5  -0.114797   0.004769   0.098431
+    1SOL     H6    6  -0.057852   0.144215   0.083226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002431   0.128074   0.018176
+    0SOL     H2    2  -0.083292   0.118371   0.068471
+    0SOL     H3    3   0.053936   0.182102   0.073548
+    1SOL     O4    4   0.007712  -0.135703  -0.022723
+    1SOL     H5    5  -0.072300  -0.140441  -0.075048
+    1SOL     H6    6   0.018365  -0.042530  -0.003548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009808   0.124694   0.031958
+    0SOL     H2    2  -0.064637   0.184615   0.026496
+    0SOL     H3    3   0.042618   0.135260   0.121256
+    1SOL     O4    4  -0.012163  -0.134431  -0.036602
+    1SOL     H5    5   0.074210  -0.133366  -0.077842
+    1SOL     H6    6  -0.022519  -0.046462  -0.000318
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.096846  -0.092349   0.004210
+    0SOL     H2    2   0.087887  -0.132422  -0.082255
+    0SOL     H3    3   0.034704  -0.139966   0.059285
+    1SOL     O4    4  -0.096566   0.096246   0.003194
+    1SOL     H5    5  -0.006912   0.066863  -0.012964
+    1SOL     H6    6  -0.121227   0.143050  -0.076577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119114  -0.055270  -0.006058
+    0SOL     H2    2  -0.199639  -0.032399   0.040363
+    0SOL     H3    3  -0.136363  -0.031519  -0.097166
+    1SOL     O4    4   0.126566   0.051480   0.001425
+    1SOL     H5    5   0.043982   0.020526   0.038627
+    1SOL     H6    6   0.165758   0.104515   0.070806
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075998  -0.003001   0.112918
+    0SOL     H2    2   0.054184   0.019066   0.203470
+    0SOL     H3    3  -0.008539  -0.007260   0.068223
+    1SOL     O4    4  -0.076023   0.001837  -0.113422
+    1SOL     H5    5  -0.025083   0.081956  -0.125601
+    1SOL     H6    6  -0.016604  -0.068565  -0.139411
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006996  -0.117976  -0.053291
+    0SOL     H2    2   0.050456  -0.187765  -0.021808
+    0SOL     H3    3  -0.024367  -0.140583  -0.144667
+    1SOL     O4    4   0.007425   0.127083   0.062891
+    1SOL     H5    5  -0.041675   0.162156  -0.011416
+    1SOL     H6    6   0.015487   0.033528   0.044320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069895   0.089191   0.068623
+    0SOL     H2    2   0.154921   0.046333   0.058825
+    0SOL     H3    3   0.084666   0.178925   0.038757
+    1SOL     O4    4  -0.075553  -0.096535  -0.071018
+    1SOL     H5    5  -0.154753  -0.053815  -0.038389
+    1SOL     H6    6  -0.004764  -0.059146  -0.018548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048024  -0.114913   0.063437
+    0SOL     H2    2  -0.023494  -0.199030   0.024903
+    0SOL     H3    3   0.005733  -0.050694   0.017085
+    1SOL     O4    4   0.046754   0.109917  -0.057510
+    1SOL     H5    5   0.033080   0.177231   0.009155
+    1SOL     H6    6   0.003996   0.144635  -0.135796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085030  -0.023436   0.110340
+    0SOL     H2    2   0.098391  -0.116857   0.126350
+    0SOL     H3    3   0.024112  -0.020200   0.036578
+    1SOL     O4    4  -0.078589   0.030368  -0.101200
+    1SOL     H5    5  -0.059767  -0.031232  -0.172007
+    1SOL     H6    6  -0.163319   0.068401  -0.124368
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119468  -0.075574   0.012805
+    0SOL     H2    2  -0.032466  -0.042327  -0.009279
+    0SOL     H3    3  -0.103510  -0.163291   0.047639
+    1SOL     O4    4   0.107668   0.077792  -0.017124
+    1SOL     H5    5   0.112654   0.088238   0.077893
+    1SOL     H6    6   0.198433   0.084420  -0.046792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094418  -0.109468  -0.007833
+    0SOL     H2    2  -0.137375  -0.063539   0.064331
+    0SOL     H3    3  -0.014975  -0.058785  -0.024633
+    1SOL     O4    4   0.091270   0.096887   0.002037
+    1SOL     H5    5   0.069553   0.178160  -0.043629
+    1SOL     H6    6   0.126487   0.125406   0.086350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056237   0.095545  -0.089527
+    0SOL     H2    2   0.031818   0.017234  -0.040197
+    0SOL     H3    3  -0.005752   0.098296  -0.162411
+    1SOL     O4    4  -0.048722  -0.088450   0.086532
+    1SOL     H5    5  -0.060030  -0.062297   0.177914
+    1SOL     H6    6  -0.092707  -0.173230   0.080214
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044627  -0.132956   0.020244
+    0SOL     H2    2  -0.010135  -0.204256  -0.033505
+    0SOL     H3    3  -0.058282  -0.060938  -0.041313
+    1SOL     O4    4   0.039141   0.136318  -0.010817
+    1SOL     H5    5   0.074492   0.145878  -0.099255
+    1SOL     H6    6   0.084508   0.060043   0.025046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071823   0.086682  -0.086560
+    0SOL     H2    2   0.033353   0.005391  -0.119336
+    0SOL     H3    3   0.007403   0.154118  -0.108115
+    1SOL     O4    4  -0.072147  -0.087182   0.087080
+    1SOL     H5    5  -0.025540  -0.139129   0.152591
+    1SOL     H6    6  -0.011851  -0.016029   0.065538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051876  -0.003297   0.126532
+    0SOL     H2    2   0.031017   0.077098   0.174112
+    0SOL     H3    3   0.002891  -0.071645   0.172263
+    1SOL     O4    4  -0.047092   0.004584  -0.138627
+    1SOL     H5    5  -0.121433  -0.020069  -0.083600
+    1SOL     H6    6   0.029153  -0.004632  -0.081494
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.086882  -0.102049   0.055128
+    0SOL     H2    2   0.174266  -0.063066   0.052545
+    0SOL     H3    3   0.027326  -0.028384   0.041390
+    1SOL     O4    4  -0.085755   0.089484  -0.056084
+    1SOL     H5    5  -0.168151   0.110572  -0.012168
+    1SOL     H6    6  -0.043566   0.174278  -0.069953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062737  -0.035557   0.123793
+    0SOL     H2    2  -0.069162   0.028972   0.194200
+    0SOL     H3    3  -0.023381   0.012339   0.050859
+    1SOL     O4    4   0.055258   0.032839  -0.123146
+    1SOL     H5    5   0.072353  -0.060817  -0.133078
+    1SOL     H6    6   0.141886   0.073466  -0.125855
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010911  -0.126906  -0.049298
+    0SOL     H2    2  -0.010775  -0.092473  -0.135937
+    0SOL     H3    3   0.055147  -0.209954  -0.066861
+    1SOL     O4    4  -0.018270   0.131782   0.052729
+    1SOL     H5    5   0.021817   0.166194   0.132549
+    1SOL     H6    6   0.044406   0.067075   0.020370
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074308   0.121188  -0.034628
+    0SOL     H2    2  -0.044930   0.135066  -0.124665
+    0SOL     H3    3  -0.036571   0.036794  -0.009810
+    1SOL     O4    4   0.067399  -0.111437   0.038635
+    1SOL     H5    5   0.045434  -0.184750  -0.018855
+    1SOL     H6    6   0.144553  -0.141079   0.086915
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024067  -0.085756   0.115556
+    0SOL     H2    2   0.002395  -0.042854   0.032779
+    0SOL     H3    3  -0.042876  -0.153407   0.125771
+    1SOL     O4    4  -0.021149   0.086782  -0.104636
+    1SOL     H5    5  -0.052077   0.042912  -0.183891
+    1SOL     H6    6   0.054064   0.138425  -0.133589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030266  -0.130839   0.054622
+    0SOL     H2    2  -0.110926  -0.159749   0.097289
+    0SOL     H3    3  -0.038130  -0.035532   0.050494
+    1SOL     O4    4   0.028100   0.127051  -0.058075
+    1SOL     H5    5   0.074100   0.189146  -0.001590
+    1SOL     H6    6   0.096726   0.068751  -0.090539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067292   0.113946  -0.048039
+    0SOL     H2    2   0.117240   0.145485   0.027280
+    0SOL     H3    3   0.133801   0.089092  -0.112236
+    1SOL     O4    4  -0.071014  -0.119812   0.050687
+    1SOL     H5    5  -0.159410  -0.083938   0.042835
+    1SOL     H6    6  -0.015798  -0.058377   0.002322
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018090  -0.038269   0.142629
+    0SOL     H2    2  -0.018370  -0.017103   0.049279
+    0SOL     H3    3   0.049772   0.018076   0.179809
+    1SOL     O4    4   0.014052   0.036157  -0.133613
+    1SOL     H5    5  -0.047890   0.054791  -0.204170
+    1SOL     H6    6   0.077978  -0.023292  -0.172875
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020774  -0.024923  -0.135626
+    0SOL     H2    2  -0.007912   0.043753  -0.201053
+    0SOL     H3    3  -0.110603  -0.054877  -0.149617
+    1SOL     O4    4   0.021383   0.018608   0.144545
+    1SOL     H5    5   0.088640   0.082353   0.168532
+    1SOL     H6    6   0.018185   0.021922   0.048936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016714  -0.101301  -0.093509
+    0SOL     H2    2  -0.101030  -0.146054  -0.100600
+    0SOL     H3    3   0.048171  -0.169415  -0.111194
+    1SOL     O4    4   0.023565   0.108674   0.097931
+    1SOL     H5    5  -0.049214   0.170456   0.090966
+    1SOL     H6    6  -0.007800   0.029597   0.054054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100362  -0.064482  -0.089588
+    0SOL     H2    2  -0.177270  -0.007638  -0.093618
+    0SOL     H3    3  -0.037003  -0.015455  -0.037202
+    1SOL     O4    4   0.097335   0.057836   0.080624
+    1SOL     H5    5   0.103249  -0.011612   0.146231
+    1SOL     H6    6   0.152068   0.128307   0.115273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.130974   0.033085   0.037947
+    0SOL     H2    2   0.144530   0.112906  -0.013114
+    0SOL     H3    3   0.164637   0.054281   0.125009
+    1SOL     O4    4  -0.139339  -0.042078  -0.038452
+    1SOL     H5    5  -0.107114  -0.022894  -0.126519
+    1SOL     H6    6  -0.072348  -0.006455   0.019905
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052668  -0.016301   0.137216
+    0SOL     H2    2   0.014885   0.013264   0.054386
+    0SOL     H3    3   0.064009   0.063807   0.188368
+    1SOL     O4    4  -0.045371   0.008265  -0.131164
+    1SOL     H5    5  -0.119564  -0.047940  -0.153496
+    1SOL     H6    6  -0.063921   0.091156  -0.175292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064286  -0.125077  -0.044432
+    0SOL     H2    2   0.119864  -0.172225   0.017621
+    0SOL     H3    3   0.016952  -0.061510   0.009243
+    1SOL     O4    4  -0.064433   0.118015   0.039563
+    1SOL     H5    5  -0.011775   0.188516   0.077233
+    1SOL     H6    6  -0.122675   0.162017  -0.022356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061543  -0.134321  -0.023865
+    0SOL     H2    2  -0.016763  -0.050444  -0.012835
+    0SOL     H3    3  -0.046694  -0.180488   0.058661
+    1SOL     O4    4   0.063428   0.128776   0.016074
+    1SOL     H5    5   0.065093   0.198603   0.081524
+    1SOL     H6    6  -0.028963   0.120073  -0.007389
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.117180   0.027933   0.090341
+    0SOL     H2    2  -0.072901   0.063218   0.167521
+    0SOL     H3    3  -0.048597   0.022305   0.023804
+    1SOL     O4    4   0.108735  -0.027295  -0.083927
+    1SOL     H5    5   0.084325  -0.110994  -0.123434
+    1SOL     H6    6   0.156364   0.018843  -0.152957
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126808   0.028934  -0.066145
+    0SOL     H2    2  -0.070417   0.082331  -0.122103
+    0SOL     H3    3  -0.136956  -0.053405  -0.113891
+    1SOL     O4    4   0.126301  -0.028956   0.077854
+    1SOL     H5    5   0.182999  -0.002406   0.005447
+    1SOL     H6    6   0.038074  -0.028302   0.040733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047200   0.140764   0.007457
+    0SOL     H2    2  -0.013046   0.214535  -0.002048
+    0SOL     H3    3  -0.005126   0.063945  -0.015417
+    1SOL     O4    4  -0.034905  -0.137386  -0.008132
+    1SOL     H5    5  -0.119799  -0.150344  -0.050410
+    1SOL     H6    6  -0.044211  -0.178904   0.077612
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028306   0.017415   0.149779
+    0SOL     H2    2  -0.081031   0.075597   0.095032
+    0SOL     H3    3   0.025881  -0.031340   0.087739
+    1SOL     O4    4   0.034209  -0.019721  -0.139051
+    1SOL     H5    5  -0.035459   0.041183  -0.114569
+    1SOL     H6    6   0.009001  -0.051408  -0.225786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.121314  -0.075513   0.030980
+    0SOL     H2    2  -0.143313  -0.149447  -0.025696
+    0SOL     H3    3  -0.055162  -0.110070   0.090913
+    1SOL     O4    4   0.125244   0.079835  -0.033633
+    1SOL     H5    5   0.105116   0.140320   0.037772
+    1SOL     H6    6   0.040545   0.042554  -0.058100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002749   0.141803   0.010686
+    0SOL     H2    2   0.027641   0.184248  -0.071419
+    0SOL     H3    3   0.003059   0.212445   0.075277
+    1SOL     O4    4  -0.005660  -0.152119  -0.004167
+    1SOL     H5    5   0.011830  -0.058013  -0.004812
+    1SOL     H6    6   0.001640  -0.178515  -0.095886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037511  -0.038928   0.144630
+    0SOL     H2    2   0.030047   0.027907   0.133169
+    0SOL     H3    3  -0.085292  -0.039224   0.061689
+    1SOL     O4    4   0.030788   0.036446  -0.137302
+    1SOL     H5    5   0.063450  -0.050067  -0.162022
+    1SOL     H6    6   0.102184   0.096260  -0.159373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022434  -0.032552   0.143152
+    0SOL     H2    2  -0.023648   0.047203   0.169187
+    0SOL     H3    3  -0.042338  -0.102231   0.153726
+    1SOL     O4    4  -0.021431   0.032023  -0.146219
+    1SOL     H5    5   0.044702   0.054367  -0.211712
+    1SOL     H6    6   0.028878   0.010568  -0.067663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013659   0.095968  -0.120138
+    0SOL     H2    2  -0.002894   0.038637  -0.045295
+    0SOL     H3    3   0.010089   0.184463  -0.083832
+    1SOL     O4    4  -0.011510  -0.092006   0.109035
+    1SOL     H5    5  -0.060142  -0.099890   0.191102
+    1SOL     H6    6   0.024476  -0.179415   0.093971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030015   0.019641   0.152581
+    0SOL     H2    2   0.121942   0.006975   0.129103
+    0SOL     H3    3  -0.015513   0.026180   0.068636
+    1SOL     O4    4  -0.036082  -0.019107  -0.141055
+    1SOL     H5    5   0.029048  -0.083848  -0.168056
+    1SOL     H6    6  -0.039349   0.043320  -0.213543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052355  -0.001653   0.138816
+    0SOL     H2    2   0.003906  -0.077588   0.171201
+    0SOL     H3    3   0.025913   0.070050   0.196451
+    1SOL     O4    4  -0.047204  -0.004406  -0.146008
+    1SOL     H5    5  -0.053847   0.031474  -0.057517
+    1SOL     H6    6  -0.052145   0.072078  -0.203350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088180  -0.021722  -0.128461
+    0SOL     H2    2  -0.061749  -0.064512  -0.047020
+    0SOL     H3    3  -0.107875   0.068402  -0.102924
+    1SOL     O4    4   0.085273   0.024370   0.120120
+    1SOL     H5    5   0.146335  -0.036959   0.079225
+    1SOL     H6    6   0.070230  -0.011478   0.207590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038730  -0.126047   0.086189
+    0SOL     H2    2  -0.082305  -0.051487   0.044906
+    0SOL     H3    3   0.033926  -0.087349   0.135034
+    1SOL     O4    4   0.042762   0.119533  -0.081590
+    1SOL     H5    5  -0.046365   0.151970  -0.068688
+    1SOL     H6    6   0.045186   0.091801  -0.173172
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099676   0.110464  -0.008380
+    0SOL     H2    2  -0.037639   0.181854  -0.023115
+    0SOL     H3    3  -0.156262   0.142004   0.062087
+    1SOL     O4    4   0.095487  -0.119480   0.002247
+    1SOL     H5    5   0.074833  -0.027504   0.018865
+    1SOL     H6    6   0.177143  -0.134713   0.049813
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046916   0.054028   0.142966
+    0SOL     H2    2  -0.131650   0.025017   0.109189
+    0SOL     H3    3   0.016543   0.023154   0.078297
+    1SOL     O4    4   0.042803  -0.051178  -0.133901
+    1SOL     H5    5   0.102524  -0.122096  -0.157699
+    1SOL     H6    6   0.083153   0.027498  -0.170564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.143601   0.056115   0.011789
+    0SOL     H2    2  -0.092225   0.001255  -0.047484
+    0SOL     H3    3  -0.234446   0.041285  -0.014472
+    1SOL     O4    4   0.144013  -0.047874  -0.012019
+    1SOL     H5    5   0.098516  -0.122916   0.026205
+    1SOL     H6    6   0.224341  -0.039772   0.039402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.082296  -0.121938  -0.059470
+    0SOL     H2    2   0.054199  -0.045573  -0.009058
+    0SOL     H3    3   0.155089  -0.090024  -0.112810
+    1SOL     O4    4  -0.086491   0.110110   0.062340
+    1SOL     H5    5  -0.031541   0.179962   0.097887
+    1SOL     H6    6  -0.115053   0.143056  -0.022872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005005   0.139768  -0.080034
+    0SOL     H2    2   0.038483   0.076779  -0.022558
+    0SOL     H3    3  -0.028737   0.212427  -0.022416
+    1SOL     O4    4   0.008613  -0.135626   0.073051
+    1SOL     H5    5  -0.056603  -0.148493   0.141925
+    1SOL     H6    6  -0.010476  -0.204006   0.008848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043295  -0.036581  -0.144281
+    0SOL     H2    2  -0.082778   0.030874  -0.199536
+    0SOL     H3    3   0.016609  -0.083284  -0.202528
+    1SOL     O4    4   0.043852   0.031847   0.156439
+    1SOL     H5    5   0.018227   0.123954   0.151745
+    1SOL     H6    6   0.040977   0.001483   0.065708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.143742  -0.018665  -0.083369
+    0SOL     H2    2  -0.080633   0.032097  -0.032351
+    0SOL     H3    3  -0.119001  -0.003077  -0.174512
+    1SOL     O4    4   0.139562   0.011352   0.079622
+    1SOL     H5    5   0.089558  -0.023960   0.153209
+    1SOL     H6    6   0.169331   0.097168   0.109814
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084844  -0.148421   0.012859
+    0SOL     H2    2  -0.059182  -0.081731   0.076549
+    0SOL     H3    3  -0.054465  -0.114246  -0.071234
+    1SOL     O4    4   0.085179   0.142801  -0.006252
+    1SOL     H5    5   0.027852   0.211254  -0.040750
+    1SOL     H6    6   0.076901   0.070799  -0.068779
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006835  -0.168508   0.027088
+    0SOL     H2    2  -0.097710  -0.140997   0.014954
+    0SOL     H3    3   0.038157  -0.089819   0.057849
+    1SOL     O4    4   0.008300   0.164066  -0.021706
+    1SOL     H5    5  -0.046913   0.185442  -0.096918
+    1SOL     H6    6   0.085733   0.122634  -0.059783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035052  -0.156960   0.047833
+    0SOL     H2    2  -0.022293  -0.093908   0.118713
+    0SOL     H3    3   0.043297  -0.211898   0.050191
+    1SOL     O4    4   0.034302   0.159986  -0.048535
+    1SOL     H5    5  -0.005620   0.075182  -0.029124
+    1SOL     H6    6  -0.004893   0.186479  -0.131747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032031  -0.147696   0.086156
+    0SOL     H2    2   0.043747  -0.108585   0.172732
+    0SOL     H3    3   0.086601  -0.094523   0.028216
+    1SOL     O4    4  -0.030027   0.139827  -0.086475
+    1SOL     H5    5  -0.050566   0.213741  -0.143722
+    1SOL     H6    6  -0.115255   0.108608  -0.056079
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018705   0.173093  -0.003093
+    0SOL     H2    2  -0.048217   0.106371  -0.065057
+    0SOL     H3    3  -0.099258   0.214909   0.027319
+    1SOL     O4    4   0.025965  -0.167248  -0.000422
+    1SOL     H5    5  -0.046960  -0.222584   0.027543
+    1SOL     H6    6   0.094765  -0.183831   0.064028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.165842   0.060479  -0.019958
+    0SOL     H2    2   0.086848   0.039098  -0.069608
+    0SOL     H3    3   0.237923   0.031719  -0.075989
+    1SOL     O4    4  -0.163106  -0.055746   0.032084
+    1SOL     H5    5  -0.235390  -0.114674   0.010523
+    1SOL     H6    6  -0.129465  -0.026977  -0.052786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094476  -0.149361   0.049531
+    0SOL     H2    2   0.035167  -0.108123  -0.013271
+    0SOL     H3    3   0.055068  -0.131661   0.134948
+    1SOL     O4    4  -0.085491   0.144717  -0.046345
+    1SOL     H5    5  -0.071630   0.204873  -0.119499
+    1SOL     H6    6  -0.176315   0.116001  -0.055766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135299   0.100631  -0.064025
+    0SOL     H2    2   0.131466   0.009440  -0.035183
+    0SOL     H3    3   0.219940   0.108337  -0.108058
+    1SOL     O4    4  -0.134970  -0.097155   0.060118
+    1SOL     H5    5  -0.137003  -0.124724   0.151759
+    1SOL     H6    6  -0.215311  -0.046426   0.048530
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085689   0.104598   0.125486
+    0SOL     H2    2   0.041331   0.182306   0.091485
+    0SOL     H3    3   0.071862   0.108550   0.220119
+    1SOL     O4    4  -0.081605  -0.110199  -0.135025
+    1SOL     H5    5  -0.028719  -0.134400  -0.059000
+    1SOL     H6    6  -0.154723  -0.060369  -0.098514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019079   0.119178  -0.145396
+    0SOL     H2    2  -0.032856   0.054302  -0.214415
+    0SOL     H3    3  -0.099984   0.117379  -0.094274
+    1SOL     O4    4   0.024514  -0.112399   0.152487
+    1SOL     H5    5  -0.006995  -0.199531   0.128458
+    1SOL     H6    6   0.057049  -0.075194   0.070514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031554  -0.105841   0.158996
+    0SOL     H2    2   0.043221  -0.163618   0.143737
+    0SOL     H3    3  -0.031221  -0.045934   0.084341
+    1SOL     O4    4   0.028558   0.100215  -0.151111
+    1SOL     H5    5   0.009132   0.184330  -0.109764
+    1SOL     H6    6   0.027707   0.118856  -0.244994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115338   0.153308   0.034223
+    0SOL     H2    2  -0.160859   0.096204   0.096104
+    0SOL     H3    3  -0.052654   0.095887  -0.009776
+    1SOL     O4    4   0.109293  -0.150785  -0.033369
+    1SOL     H5    5   0.141930  -0.073247   0.012293
+    1SOL     H6    6   0.170335  -0.163316  -0.106027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085191   0.042047  -0.169912
+    0SOL     H2    2   0.091015   0.038848  -0.265401
+    0SOL     H3    3   0.118207  -0.043018  -0.140992
+    1SOL     O4    4  -0.089519  -0.035199   0.180447
+    1SOL     H5    5  -0.011312  -0.084119   0.154895
+    1SOL     H6    6  -0.134345  -0.016789   0.097900
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014843   0.116167  -0.180042
+    0SOL     H2    2  -0.063638   0.040925  -0.146575
+    0SOL     H3    3   0.044824   0.079085  -0.245058
+    1SOL     O4    4   0.017221  -0.106326   0.175851
+    1SOL     H5    5  -0.035443  -0.060522   0.241355
+    1SOL     H6    6   0.023778  -0.195978   0.208743
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022619   0.085303  -0.187837
+    0SOL     H2    2  -0.015108   0.088112  -0.283220
+    0SOL     H3    3  -0.099485   0.138870  -0.168228
+    1SOL     O4    4   0.029154  -0.085415   0.186644
+    1SOL     H5    5  -0.041008  -0.059455   0.246357
+    1SOL     H6    6   0.063530  -0.166623   0.223870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049401   0.045247  -0.217246
+    0SOL     H2    2  -0.077056   0.013353  -0.131338
+    0SOL     H3    3   0.033065  -0.000249  -0.234330
+    1SOL     O4    4   0.045397  -0.046914   0.213631
+    1SOL     H5    5   0.001139   0.014227   0.154764
+    1SOL     H6    6   0.105252   0.007802   0.264483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048515   0.133818   0.168966
+    0SOL     H2    2  -0.020236   0.149538   0.259052
+    0SOL     H3    3  -0.076154   0.042179   0.168135
+    1SOL     O4    4   0.042596  -0.130703  -0.176406
+    1SOL     H5    5   0.082127  -0.157266  -0.093376
+    1SOL     H6    6   0.112935  -0.085647  -0.223148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062492  -0.168450  -0.141406
+    0SOL     H2    2  -0.081537  -0.078293  -0.115497
+    0SOL     H3    3  -0.053976  -0.215896  -0.058709
+    1SOL     O4    4   0.069274   0.164051   0.134787
+    1SOL     H5    5  -0.009123   0.110802   0.121340
+    1SOL     H6    6   0.036015   0.252843   0.147907
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106231  -0.183879  -0.094759
+    0SOL     H2    2   0.197288  -0.183298  -0.065252
+    0SOL     H3    3   0.055181  -0.196762  -0.014820
+    1SOL     O4    4  -0.113121   0.188029   0.085252
+    1SOL     H5    5  -0.052704   0.218713   0.152858
+    1SOL     H6    6  -0.091691   0.095400   0.074163
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022299   0.208237   0.122466
+    0SOL     H2    2   0.048786   0.145660   0.108563
+    0SOL     H3    3  -0.050895   0.192472   0.212444
+    1SOL     O4    4   0.024721  -0.208949  -0.125780
+    1SOL     H5    5  -0.064098  -0.209179  -0.090094
+    1SOL     H6    6   0.032324  -0.124759  -0.170687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086159   0.033481  -0.228642
+    0SOL     H2    2  -0.050684   0.016410  -0.315891
+    0SOL     H3    3  -0.033920   0.106453  -0.195350
+    1SOL     O4    4   0.080693  -0.043221   0.230279
+    1SOL     H5    5   0.117472  -0.001344   0.308099
+    1SOL     H6    6   0.049520   0.029475   0.176373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135156  -0.192093  -0.060662
+    0SOL     H2    2  -0.158384  -0.284921  -0.063050
+    0SOL     H3    3  -0.195314  -0.150702  -0.122550
+    1SOL     O4    4   0.138851   0.193800   0.057482
+    1SOL     H5    5   0.217882   0.179196   0.109474
+    1SOL     H6    6   0.077551   0.235331   0.118144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.210157   0.033435   0.133677
+    0SOL     H2    2   0.136597   0.073728   0.087549
+    0SOL     H3    3   0.242946   0.102383   0.191413
+    1SOL     O4    4  -0.204207  -0.041945  -0.139036
+    1SOL     H5    5  -0.204643   0.044893  -0.098771
+    1SOL     H6    6  -0.269269  -0.091695  -0.089496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068948  -0.185635  -0.170671
+    0SOL     H2    2   0.056826  -0.097510  -0.135324
+    0SOL     H3    3   0.086351  -0.171956  -0.263796
+    1SOL     O4    4  -0.070428   0.177214   0.180923
+    1SOL     H5    5  -0.041862   0.126198   0.105136
+    1SOL     H6    6  -0.080506   0.266323   0.147451
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016898  -0.013125   0.277072
+    0SOL     H2    2   0.021233   0.016396   0.186121
+    0SOL     H3    3   0.039456   0.064355   0.328553
+    1SOL     O4    4  -0.018909   0.001821  -0.272857
+    1SOL     H5    5  -0.090230   0.061901  -0.294442
+    1SOL     H6    6   0.060709   0.050229  -0.294767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017968   0.195054   0.254639
+    0SOL     H2    2  -0.075440   0.209116   0.239161
+    0SOL     H3    3   0.044411   0.268429   0.310130
+    1SOL     O4    4  -0.014887  -0.203718  -0.260672
+    1SOL     H5    5  -0.043071  -0.112556  -0.268253
+    1SOL     H6    6   0.023493  -0.209775  -0.173193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036608   0.215289   0.243485
+    0SOL     H2    2   0.031236   0.221040   0.338881
+    0SOL     H3    3  -0.021393   0.142689   0.220515
+    1SOL     O4    4  -0.031664  -0.211340  -0.240800
+    1SOL     H5    5  -0.010949  -0.276266  -0.308015
+    1SOL     H6    6  -0.080132  -0.143199  -0.287383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.081658  -0.234012  -0.229015
+    0SOL     H2    2  -0.134389  -0.158524  -0.255155
+    0SOL     H3    3   0.008824  -0.203430  -0.235340
+    1SOL     O4    4   0.079621   0.225289   0.224960
+    1SOL     H5    5   0.151894   0.219959   0.287495
+    1SOL     H6    6   0.016280   0.283864   0.266423
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056184   0.330175   0.073356
+    0SOL     H2    2   0.065365   0.398001   0.006441
+    0SOL     H3    3  -0.037276   0.329338   0.094015
+    1SOL     O4    4  -0.052752  -0.329103  -0.066925
+    1SOL     H5    5  -0.057295  -0.333915  -0.162416
+    1SOL     H6    6  -0.023785  -0.416226  -0.039856
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028076  -0.006616   0.391353
+    0SOL     H2    2  -0.097910   0.014140   0.329266
+    0SOL     H3    3   0.051607  -0.007801   0.338330
+    1SOL     O4    4   0.029371   0.000012  -0.387989
+    1SOL     H5    5  -0.031010   0.003062  -0.313779
+    1SOL     H6    6   0.056705   0.090897  -0.400439
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029187  -0.382048  -0.056335
+    0SOL     H2    2   0.076558  -0.456237  -0.018728
+    0SOL     H3    3   0.076439  -0.361849  -0.137091
+    1SOL     O4    4  -0.037928   0.389611   0.054834
+    1SOL     H5    5   0.024620   0.408509   0.124783
+    1SOL     H6    6  -0.040831   0.294038   0.050410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118206   0.329033   0.194441
+    0SOL     H2    2  -0.065479   0.399713   0.157203
+    0SOL     H3    3  -0.133414   0.269296   0.121212
+    1SOL     O4    4   0.112636  -0.329316  -0.182593
+    1SOL     H5    5   0.150085  -0.409448  -0.219181
+    1SOL     H6    6   0.135294  -0.261166  -0.245874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036121  -0.412528   0.286863
+    0SOL     H2    2  -0.090407  -0.378221   0.357845
+    0SOL     H3    3  -0.004069  -0.496560   0.319628
+    1SOL     O4    4   0.032907   0.412332  -0.296398
+    1SOL     H5    5   0.124373   0.387964  -0.282166
+    1SOL     H6    6   0.023133   0.496221  -0.251348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.447058   0.342263  -0.151552
+    0SOL     H2    2   0.521255   0.297672  -0.110702
+    0SOL     H3    3   0.421435   0.284951  -0.223808
+    1SOL     O4    4  -0.455074  -0.340677   0.154792
+    1SOL     H5    5  -0.363343  -0.353247   0.179079
+    1SOL     H6    6  -0.455844  -0.258555   0.105621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.629957  -0.451823   0.094974
+    0SOL     H2    2   0.580304  -0.373475   0.071340
+    0SOL     H3    3   0.570577  -0.524479   0.076064
+    1SOL     O4    4  -0.627740   0.446980  -0.093667
+    1SOL     H5    5  -0.532701   0.452394  -0.103688
+    1SOL     H6    6  -0.653638   0.533907  -0.063084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.716251  -0.515583   0.212285
+    0SOL     H2    2  -0.639325  -0.542433   0.162048
+    0SOL     H3    3  -0.680409  -0.471954   0.289578
+    1SOL     O4    4   0.713866   0.521052  -0.212071
+    1SOL     H5    5   0.745410   0.434109  -0.187408
+    1SOL     H6    6   0.635750   0.504188  -0.264757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003144  -0.047778   0.108406
+    0SOL     H2    2   0.098840  -0.049915   0.108227
+    0SOL     H3    3  -0.022869  -0.138888   0.121991
+    1SOL     O4    4  -0.011238   0.054715  -0.114577
+    1SOL     H5    5  -0.036746   0.016823  -0.030459
+    1SOL     H6    6   0.082726   0.070884  -0.106110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070183   0.013623   0.102947
+    0SOL     H2    2  -0.027089   0.023452   0.187850
+    0SOL     H3    3  -0.157558  -0.019279   0.124048
+    1SOL     O4    4   0.070106  -0.016781  -0.112776
+    1SOL     H5    5   0.043771   0.015954  -0.026769
+    1SOL     H6    6   0.146206   0.036268  -0.136375
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019914   0.098886   0.093781
+    0SOL     H2    2  -0.013297   0.059216   0.174315
+    0SOL     H3    3   0.018417   0.027845   0.029646
+    1SOL     O4    4  -0.020275  -0.093462  -0.088434
+    1SOL     H5    5  -0.053397  -0.035366  -0.156919
+    1SOL     H6    6   0.057046  -0.134532  -0.127127
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097359  -0.071697   0.047487
+    0SOL     H2    2   0.168342  -0.031210  -0.002359
+    0SOL     H3    3   0.110217  -0.165784   0.035461
+    1SOL     O4    4  -0.103898   0.077623  -0.049766
+    1SOL     H5    5  -0.026871   0.025385  -0.027396
+    1SOL     H6    6  -0.154225   0.082202   0.031527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071426  -0.111944   0.036137
+    0SOL     H2    2  -0.133072  -0.116793   0.109203
+    0SOL     H3    3  -0.052097  -0.018622   0.027200
+    1SOL     O4    4   0.074743   0.101111  -0.036602
+    1SOL     H5    5   0.051917   0.117285  -0.128142
+    1SOL     H6    6   0.079270   0.188245   0.002760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009147  -0.116857   0.060364
+    0SOL     H2    2  -0.008365  -0.195939   0.009357
+    0SOL     H3    3   0.103294  -0.119659   0.077421
+    1SOL     O4    4  -0.008072   0.123318  -0.061295
+    1SOL     H5    5  -0.027591   0.039203  -0.019993
+    1SOL     H6    6  -0.088129   0.174618  -0.050272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000179   0.130568   0.003504
+    0SOL     H2    2  -0.092163   0.156203   0.010151
+    0SOL     H3    3   0.046540   0.194719   0.057023
+    1SOL     O4    4  -0.004455  -0.138090  -0.007370
+    1SOL     H5    5   0.074191  -0.190652   0.007272
+    1SOL     H6    6   0.027960  -0.048524  -0.016839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055124   0.051406  -0.108311
+    0SOL     H2    2   0.091873   0.124360  -0.058415
+    0SOL     H3    3   0.125400   0.025191  -0.167778
+    1SOL     O4    4  -0.063955  -0.060867   0.110446
+    1SOL     H5    5  -0.012575  -0.029623   0.035972
+    1SOL     H6    6  -0.078861   0.017218   0.163765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067783   0.001025   0.120780
+    0SOL     H2    2  -0.024783  -0.084430   0.124049
+    0SOL     H3    3  -0.136363  -0.009127   0.054780
+    1SOL     O4    4   0.069573   0.009781  -0.120412
+    1SOL     H5    5   0.039654  -0.002915  -0.030379
+    1SOL     H6    6   0.093871  -0.077876  -0.150213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080834  -0.042707   0.102913
+    0SOL     H2    2   0.006896  -0.098786   0.126378
+    0SOL     H3    3   0.057469   0.043483   0.137376
+    1SOL     O4    4  -0.077340   0.047373  -0.106661
+    1SOL     H5    5   0.004493   0.017835  -0.066746
+    1SOL     H6    6  -0.118198  -0.032650  -0.139664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014042  -0.048397  -0.120803
+    0SOL     H2    2   0.016522  -0.011056  -0.203469
+    0SOL     H3    3  -0.008135  -0.143074  -0.133597
+    1SOL     O4    4   0.007656   0.049690   0.131559
+    1SOL     H5    5  -0.004414   0.026047   0.039594
+    1SOL     H6    6   0.088890   0.100303   0.132863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027715  -0.126786   0.030222
+    0SOL     H2    2  -0.040995  -0.187040  -0.042958
+    0SOL     H3    3   0.040322  -0.168165   0.083336
+    1SOL     O4    4   0.019098   0.136261  -0.030644
+    1SOL     H5    5   0.024402   0.059684   0.026541
+    1SOL     H6    6   0.108083   0.147442  -0.064094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000189   0.091884  -0.106228
+    0SOL     H2    2   0.012889   0.001938  -0.076211
+    0SOL     H3    3  -0.073714   0.086363  -0.167268
+    1SOL     O4    4   0.002096  -0.086389   0.101289
+    1SOL     H5    5   0.049234  -0.155103   0.148392
+    1SOL     H6    6  -0.012274  -0.017987   0.166688
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091795   0.049739  -0.096801
+    0SOL     H2    2   0.070560   0.005056  -0.178745
+    0SOL     H3    3   0.009330   0.051253  -0.048224
+    1SOL     O4    4  -0.090009  -0.041883   0.096082
+    1SOL     H5    5  -0.046058  -0.046165   0.181007
+    1SOL     H6    6  -0.066453  -0.123895   0.052706
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006351  -0.115664  -0.075078
+    0SOL     H2    2   0.003872  -0.174448   0.000425
+    0SOL     H3    3  -0.085245  -0.106371  -0.101275
+    1SOL     O4    4   0.000642   0.124705   0.070849
+    1SOL     H5    5  -0.012873   0.050406   0.012032
+    1SOL     H6    6  -0.018116   0.089997   0.158060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.129056   0.036374  -0.023919
+    0SOL     H2    2  -0.108860   0.127753  -0.044029
+    0SOL     H3    3  -0.190007   0.009573  -0.092686
+    1SOL     O4    4   0.133685  -0.046434   0.028824
+    1SOL     H5    5   0.182037   0.036123   0.031775
+    1SOL     H6    6   0.042429  -0.020367   0.016372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071959  -0.024805   0.120704
+    0SOL     H2    2   0.033328  -0.030397   0.033304
+    0SOL     H3    3   0.166386  -0.022950   0.105131
+    1SOL     O4    4  -0.072273   0.019920  -0.111694
+    1SOL     H5    5  -0.035518   0.055385  -0.192649
+    1SOL     H6    6  -0.151186   0.071886  -0.096381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087900   0.107899  -0.029672
+    0SOL     H2    2  -0.032236   0.048354  -0.079854
+    0SOL     H3    3  -0.173801   0.065674  -0.029078
+    1SOL     O4    4   0.085946  -0.096708   0.031386
+    1SOL     H5    5   0.166231  -0.107408   0.082398
+    1SOL     H6    6   0.069456  -0.183328  -0.005861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062316   0.054155   0.104930
+    0SOL     H2    2  -0.070160  -0.008160   0.177164
+    0SOL     H3    3  -0.106315   0.133101   0.136455
+    1SOL     O4    4   0.061676  -0.058111  -0.116359
+    1SOL     H5    5   0.155949  -0.063057  -0.100538
+    1SOL     H6    6   0.028085  -0.004395  -0.044606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075591   0.020768   0.122283
+    0SOL     H2    2   0.011259   0.012139   0.051933
+    0SOL     H3    3   0.133222   0.091587   0.093550
+    1SOL     O4    4  -0.072314  -0.021494  -0.111058
+    1SOL     H5    5  -0.065964   0.006398  -0.202404
+    1SOL     H6    6  -0.126414  -0.100413  -0.113768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028448   0.139198  -0.022481
+    0SOL     H2    2  -0.026341   0.043823  -0.014639
+    0SOL     H3    3  -0.121561   0.160815  -0.027481
+    1SOL     O4    4   0.033689  -0.128755   0.018293
+    1SOL     H5    5   0.113351  -0.171669   0.049514
+    1SOL     H6    6  -0.037623  -0.182292   0.053089
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067899  -0.115437  -0.055014
+    0SOL     H2    2  -0.126494  -0.153753   0.010261
+    0SOL     H3    3  -0.014738  -0.052895  -0.005772
+    1SOL     O4    4   0.074686   0.112047   0.046197
+    1SOL     H5    5   0.013248   0.065411   0.102879
+    1SOL     H6    6   0.027753   0.191237   0.019955
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076349   0.100342  -0.064793
+    0SOL     H2    2  -0.155718   0.095719  -0.011487
+    0SOL     H3    3  -0.080092   0.022393  -0.120220
+    1SOL     O4    4   0.088760  -0.094469   0.063870
+    1SOL     H5    5   0.037333  -0.169407   0.093904
+    1SOL     H6    6   0.023780  -0.026720   0.045161
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039117   0.038894   0.137051
+    0SOL     H2    2   0.025216   0.042059   0.066244
+    0SOL     H3    3  -0.094385  -0.036346   0.115914
+    1SOL     O4    4   0.039301  -0.034914  -0.124357
+    1SOL     H5    5   0.102036  -0.004706  -0.190040
+    1SOL     H6    6  -0.037023  -0.062640  -0.175034
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038255  -0.139154  -0.005854
+    0SOL     H2    2   0.036541  -0.192270   0.073758
+    0SOL     H3    3  -0.008011  -0.058798   0.017908
+    1SOL     O4    4  -0.037629   0.133847   0.005467
+    1SOL     H5    5   0.031846   0.114861  -0.057580
+    1SOL     H6    6  -0.073866   0.217654  -0.023267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063333  -0.080754   0.093714
+    0SOL     H2    2  -0.077353  -0.155610   0.035728
+    0SOL     H3    3  -0.035747  -0.119559   0.176753
+    1SOL     O4    4   0.065877   0.093689  -0.096584
+    1SOL     H5    5   0.062010   0.045307  -0.014082
+    1SOL     H6    6   0.011721   0.042727  -0.156853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072623   0.114493   0.064766
+    0SOL     H2    2  -0.062356   0.075626  -0.022104
+    0SOL     H3    3  -0.001163   0.077158   0.116359
+    1SOL     O4    4   0.063468  -0.105184  -0.064566
+    1SOL     H5    5   0.149631  -0.121340  -0.103003
+    1SOL     H6    6   0.053155  -0.174108   0.001049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065326   0.118312   0.055498
+    0SOL     H2    2   0.141981   0.069775   0.024995
+    0SOL     H3    3   0.041143   0.173970  -0.018527
+    1SOL     O4    4  -0.067773  -0.124219  -0.045981
+    1SOL     H5    5  -0.004827  -0.052195  -0.049528
+    1SOL     H6    6  -0.139867  -0.095875  -0.102206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083762   0.071684  -0.094213
+    0SOL     H2    2  -0.110300   0.007529  -0.028318
+    0SOL     H3    3  -0.137556   0.051194  -0.170689
+    1SOL     O4    4   0.094388  -0.068699   0.095845
+    1SOL     H5    5   0.051094  -0.063791   0.010617
+    1SOL     H6    6   0.029289  -0.035685   0.157769
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056908  -0.057237  -0.115943
+    0SOL     H2    2   0.005415  -0.112322  -0.163313
+    0SOL     H3    3  -0.084568   0.008272  -0.180019
+    1SOL     O4    4   0.060945   0.055831   0.125743
+    1SOL     H5    5  -0.005869   0.121780   0.144426
+    1SOL     H6    6   0.022842   0.002063   0.056321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024239   0.025066  -0.148682
+    0SOL     H2    2  -0.026279   0.056000  -0.073494
+    0SOL     H3    3   0.079148  -0.045008  -0.113511
+    1SOL     O4    4  -0.022643  -0.017058   0.146253
+    1SOL     H5    5   0.033983  -0.087378   0.114457
+    1SOL     H6    6  -0.109125  -0.038109   0.111040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027927  -0.120476   0.088765
+    0SOL     H2    2   0.056462  -0.185866   0.024952
+    0SOL     H3    3  -0.002785  -0.046966   0.035704
+    1SOL     O4    4  -0.032450   0.115408  -0.078529
+    1SOL     H5    5  -0.000083   0.108316  -0.168331
+    1SOL     H6    6   0.011789   0.192543  -0.043096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020901  -0.054644  -0.130709
+    0SOL     H2    2  -0.088114  -0.013736  -0.185218
+    0SOL     H3    3   0.060053  -0.044485  -0.180764
+    1SOL     O4    4   0.020472   0.045968   0.141606
+    1SOL     H5    5   0.011446   0.138592   0.164004
+    1SOL     H6    6   0.025112   0.044737   0.046006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057526  -0.111128   0.070577
+    0SOL     H2    2   0.103356  -0.158033   0.140304
+    0SOL     H3    3   0.014426  -0.179835   0.019743
+    1SOL     O4    4  -0.058067   0.123955  -0.071955
+    1SOL     H5    5  -0.004463   0.072637  -0.011495
+    1SOL     H6    6  -0.103429   0.058610  -0.125196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007692   0.026170   0.143575
+    0SOL     H2    2  -0.083391   0.019676   0.172283
+    0SOL     H3    3   0.052030  -0.046183   0.187863
+    1SOL     O4    4  -0.008837  -0.017189  -0.152531
+    1SOL     H5    5   0.016226  -0.108262  -0.168018
+    1SOL     H6    6   0.031156   0.004730  -0.068374
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125242  -0.088067  -0.016437
+    0SOL     H2    2  -0.106173  -0.161263   0.042224
+    0SOL     H3    3  -0.080849  -0.013199   0.023392
+    1SOL     O4    4   0.115738   0.085347   0.011560
+    1SOL     H5    5   0.158807   0.143535   0.074181
+    1SOL     H6    6   0.179141   0.075360  -0.059451
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086996  -0.098305  -0.081384
+    0SOL     H2    2  -0.036601  -0.026905  -0.042335
+    0SOL     H3    3  -0.030933  -0.131766  -0.151381
+    1SOL     O4    4   0.080726   0.090415   0.080375
+    1SOL     H5    5   0.009535   0.146870   0.110494
+    1SOL     H6    6   0.160465   0.138805   0.101880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061434  -0.104271  -0.094178
+    0SOL     H2    2  -0.015630  -0.034239  -0.140651
+    0SOL     H3    3  -0.147035  -0.067034  -0.073004
+    1SOL     O4    4   0.064987   0.097809   0.088600
+    1SOL     H5    5   0.086769   0.168235   0.149658
+    1SOL     H6    6   0.025949   0.029740   0.143417
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033216   0.039709   0.141648
+    0SOL     H2    2   0.002262   0.128478   0.136781
+    0SOL     H3    3   0.040305  -0.013926   0.171317
+    1SOL     O4    4   0.025433  -0.046265  -0.148138
+    1SOL     H5    5   0.065852   0.040141  -0.156050
+    1SOL     H6    6   0.005113  -0.054817  -0.054991
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088745   0.099592  -0.078720
+    0SOL     H2    2  -0.022845   0.037549  -0.047573
+    0SOL     H3    3  -0.038868   0.165060  -0.127593
+    1SOL     O4    4   0.085057  -0.097145   0.075091
+    1SOL     H5    5   0.036336  -0.051852   0.143918
+    1SOL     H6    6   0.067397  -0.189983   0.090308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137989   0.029546  -0.059782
+    0SOL     H2    2  -0.161599   0.111868  -0.102537
+    0SOL     H3    3  -0.058104   0.049831  -0.011108
+    1SOL     O4    4   0.135556  -0.039153   0.053664
+    1SOL     H5    5   0.135179   0.056041   0.063675
+    1SOL     H6    6   0.123735  -0.072677   0.142539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037541  -0.131604   0.071718
+    0SOL     H2    2  -0.041472  -0.060136   0.008164
+    0SOL     H3    3  -0.121856  -0.128201   0.116904
+    1SOL     O4    4   0.042228   0.122475  -0.066634
+    1SOL     H5    5   0.012880   0.212161  -0.050590
+    1SOL     H6    6   0.075575   0.123823  -0.156348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044353   0.041485  -0.136806
+    0SOL     H2    2  -0.118253   0.086106  -0.095453
+    0SOL     H3    3  -0.077685   0.013942  -0.222203
+    1SOL     O4    4   0.049872  -0.044099   0.145915
+    1SOL     H5    5   0.125244  -0.005572   0.101226
+    1SOL     H6    6  -0.016255  -0.053833   0.077396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024908  -0.147336   0.015218
+    0SOL     H2    2   0.016005  -0.206828   0.089674
+    0SOL     H3    3   0.114955  -0.159742  -0.014780
+    1SOL     O4    4  -0.027924   0.158035  -0.016882
+    1SOL     H5    5  -0.080043   0.121542  -0.088395
+    1SOL     H6    6  -0.007394   0.082827   0.038657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042955   0.144002   0.016762
+    0SOL     H2    2  -0.099534   0.221090   0.021071
+    0SOL     H3    3   0.042386   0.175154   0.046909
+    1SOL     O4    4   0.045662  -0.155361  -0.021840
+    1SOL     H5    5  -0.019611  -0.099312  -0.063796
+    1SOL     H6    6   0.041083  -0.132233   0.070931
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119206  -0.075608   0.055612
+    0SOL     H2    2   0.203305  -0.095046   0.096987
+    0SOL     H3    3   0.077644  -0.161102   0.044405
+    1SOL     O4    4  -0.123426   0.087627  -0.055539
+    1SOL     H5    5  -0.036056   0.048856  -0.050481
+    1SOL     H6    6  -0.178249   0.018490  -0.092646
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161075  -0.005216   0.030594
+    0SOL     H2    2  -0.092414  -0.051058   0.079034
+    0SOL     H3    3  -0.138433   0.087428   0.038752
+    1SOL     O4    4   0.152241  -0.003441  -0.031881
+    1SOL     H5    5   0.109891   0.079282  -0.054809
+    1SOL     H6    6   0.245619   0.012932  -0.045099
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048037   0.010462   0.155987
+    0SOL     H2    2  -0.013631  -0.013840   0.070033
+    0SOL     H3    3   0.007670  -0.036283   0.218228
+    1SOL     O4    4   0.041619  -0.004006  -0.148831
+    1SOL     H5    5  -0.015078  -0.047012  -0.212847
+    1SOL     H6    6   0.129200  -0.009053  -0.187124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003561   0.046930   0.153030
+    0SOL     H2    2   0.060405  -0.027826   0.171541
+    0SOL     H3    3  -0.077920   0.027133   0.199195
+    1SOL     O4    4  -0.006722  -0.040614  -0.161592
+    1SOL     H5    5   0.079223   0.001524  -0.161151
+    1SOL     H6    6  -0.008717  -0.091904  -0.080798
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133074  -0.090493   0.048228
+    0SOL     H2    2   0.101751  -0.038518   0.122253
+    0SOL     H3    3   0.055386  -0.104352  -0.005946
+    1SOL     O4    4  -0.123372   0.083387  -0.050175
+    1SOL     H5    5  -0.161717   0.136820  -0.119723
+    1SOL     H6    6  -0.157699   0.121160   0.030801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017987   0.109767   0.113844
+    0SOL     H2    2  -0.047728   0.184699   0.062240
+    0SOL     H3    3   0.048317   0.145928   0.172653
+    1SOL     O4    4   0.013085  -0.120484  -0.118512
+    1SOL     H5    5  -0.031074  -0.076026  -0.046154
+    1SOL     H6    6   0.103019  -0.087857  -0.115420
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126150   0.074726  -0.070054
+    0SOL     H2    2   0.198365   0.044368  -0.015047
+    0SOL     H3    3   0.100612   0.158729  -0.031928
+    1SOL     O4    4  -0.129697  -0.083721   0.067576
+    1SOL     H5    5  -0.051334  -0.043412   0.030203
+    1SOL     H6    6  -0.200213  -0.022156   0.047587
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097895   0.098107  -0.083088
+    0SOL     H2    2  -0.167211   0.159552  -0.058959
+    0SOL     H3    3  -0.017697   0.150314  -0.080848
+    1SOL     O4    4   0.102392  -0.103760   0.086222
+    1SOL     H5    5   0.095552  -0.162318   0.010814
+    1SOL     H6    6   0.022846  -0.050638   0.082649
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079803   0.113358  -0.099336
+    0SOL     H2    2  -0.155376   0.065874  -0.133924
+    0SOL     H3    3  -0.013470   0.045825  -0.085144
+    1SOL     O4    4   0.076087  -0.111010   0.098021
+    1SOL     H5    5   0.170897  -0.106573   0.085627
+    1SOL     H6    6   0.056086  -0.037940   0.156527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000617  -0.077974  -0.145852
+    0SOL     H2    2  -0.066017  -0.110728  -0.085442
+    0SOL     H3    3   0.020502  -0.152597  -0.202405
+    1SOL     O4    4  -0.000155   0.085220   0.151942
+    1SOL     H5    5  -0.005948   0.141199   0.074514
+    1SOL     H6    6   0.045790   0.006932   0.121573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061696   0.161079   0.012971
+    0SOL     H2    2  -0.043936   0.231790  -0.049052
+    0SOL     H3    3   0.007009   0.096587  -0.003844
+    1SOL     O4    4   0.054381  -0.157837  -0.003488
+    1SOL     H5    5   0.144112  -0.152678  -0.036412
+    1SOL     H6    6   0.013436  -0.226544  -0.056073
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115264  -0.060419   0.116123
+    0SOL     H2    2  -0.073541  -0.075528   0.031310
+    0SOL     H3    3  -0.093703  -0.138145   0.167661
+    1SOL     O4    4   0.111827   0.061793  -0.120211
+    1SOL     H5    5   0.159946   0.047190  -0.038764
+    1SOL     H6    6   0.060957   0.141263  -0.104112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004572  -0.102709   0.146441
+    0SOL     H2    2  -0.049204  -0.075104   0.220660
+    0SOL     H3    3  -0.018240  -0.041725   0.076278
+    1SOL     O4    4   0.002003   0.092593  -0.144161
+    1SOL     H5    5   0.004203   0.179219  -0.103500
+    1SOL     H6    6  -0.043105   0.106320  -0.227462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.096391   0.094066  -0.111734
+    0SOL     H2    2   0.169769   0.117459  -0.168574
+    0SOL     H3    3   0.046162   0.030267  -0.162419
+    1SOL     O4    4  -0.100881  -0.096520   0.114949
+    1SOL     H5    5  -0.133538  -0.024403   0.168754
+    1SOL     H6    6  -0.006378  -0.082058   0.110230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072209   0.094316   0.133478
+    0SOL     H2    2  -0.131133   0.051867   0.071121
+    0SOL     H3    3  -0.096887   0.057841   0.218466
+    1SOL     O4    4   0.077830  -0.093566  -0.130298
+    1SOL     H5    5   0.025661  -0.105247  -0.209697
+    1SOL     H6    6   0.116500  -0.006499  -0.139584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036253   0.059471  -0.163591
+    0SOL     H2    2   0.006939   0.071259  -0.253946
+    0SOL     H3    3   0.061976   0.147149  -0.135074
+    1SOL     O4    4  -0.029026  -0.065441   0.165930
+    1SOL     H5    5  -0.087922  -0.023775   0.103020
+    1SOL     H6    6  -0.085933  -0.091871   0.238217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.008310  -0.149701  -0.104017
+    0SOL     H2    2  -0.086519  -0.204232  -0.095528
+    0SOL     H3    3   0.009579  -0.147867  -0.198032
+    1SOL     O4    4   0.013975   0.159145   0.107197
+    1SOL     H5    5   0.028760   0.118051   0.192373
+    1SOL     H6    6  -0.034190   0.093472   0.056903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019005  -0.180860   0.052458
+    0SOL     H2    2   0.023231  -0.147052  -0.026507
+    0SOL     H3    3   0.039177  -0.250532   0.082839
+    1SOL     O4    4   0.007611   0.185886  -0.048867
+    1SOL     H5    5   0.017243   0.090652  -0.048729
+    1SOL     H6    6   0.096619   0.218992  -0.060862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049295  -0.134094  -0.115004
+    0SOL     H2    2   0.024885  -0.194195  -0.121892
+    0SOL     H3    3  -0.124184  -0.184692  -0.146528
+    1SOL     O4    4   0.048809   0.147831   0.119857
+    1SOL     H5    5  -0.001344   0.070388   0.145345
+    1SOL     H6    6   0.109593   0.116140   0.053049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076728  -0.176324   0.034000
+    0SOL     H2    2  -0.083745  -0.267895   0.060980
+    0SOL     H3    3  -0.147811  -0.132113   0.080420
+    1SOL     O4    4   0.080524   0.185737  -0.036599
+    1SOL     H5    5   0.115240   0.113203   0.015322
+    1SOL     H6    6   0.054103   0.145529  -0.119348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096740   0.154877   0.075116
+    0SOL     H2    2  -0.074882   0.245564   0.053658
+    0SOL     H3    3  -0.191942   0.154848   0.085066
+    1SOL     O4    4   0.097287  -0.157071  -0.079175
+    1SOL     H5    5   0.086839  -0.247467  -0.049480
+    1SOL     H6    6   0.166838  -0.121522  -0.023847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.177647  -0.005788   0.113491
+    0SOL     H2    2  -0.230037   0.068067   0.144523
+    0SOL     H3    3  -0.102162  -0.008058   0.172305
+    1SOL     O4    4   0.182299   0.003310  -0.117048
+    1SOL     H5    5   0.144909  -0.081563  -0.140729
+    1SOL     H6    6   0.108660   0.064247  -0.122177
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081541   0.203832  -0.075570
+    0SOL     H2    2   0.005980   0.160415  -0.035973
+    0SOL     H3    3   0.124136   0.135458  -0.127271
+    1SOL     O4    4  -0.077811  -0.190811   0.076655
+    1SOL     H5    5  -0.079481  -0.249656   0.001179
+    1SOL     H6    6  -0.109630  -0.244222   0.149437
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037620   0.223230   0.065668
+    0SOL     H2    2  -0.056382   0.308669   0.026802
+    0SOL     H3    3   0.042150   0.193846   0.021671
+    1SOL     O4    4   0.031228  -0.232309  -0.057997
+    1SOL     H5    5   0.078629  -0.229492  -0.141109
+    1SOL     H6    6   0.033678  -0.142162  -0.025906
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.103035   0.227851  -0.046676
+    0SOL     H2    2   0.050008   0.202047   0.028720
+    0SOL     H3    3   0.073932   0.170214  -0.117339
+    1SOL     O4    4  -0.093759  -0.228577   0.046264
+    1SOL     H5    5  -0.080234  -0.137420   0.072147
+    1SOL     H6    6  -0.187546  -0.234713   0.028131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080480  -0.178131  -0.153628
+    0SOL     H2    2   0.108872  -0.269151  -0.145176
+    0SOL     H3    3   0.001803  -0.182482  -0.207972
+    1SOL     O4    4  -0.079402   0.189161   0.153001
+    1SOL     H5    5  -0.054051   0.104444   0.116359
+    1SOL     H6    6  -0.075390   0.176479   0.247792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046273  -0.140687  -0.219496
+    0SOL     H2    2  -0.019900  -0.117614  -0.130421
+    0SOL     H3    3   0.032275  -0.126287  -0.272271
+    1SOL     O4    4   0.035601   0.135730   0.221030
+    1SOL     H5    5   0.075229   0.220711   0.240271
+    1SOL     H6    6   0.084354   0.103089   0.145398
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046898   0.213389   0.155183
+    0SOL     H2    2   0.004723   0.130817   0.131404
+    0SOL     H3    3   0.001988   0.279366   0.102340
+    1SOL     O4    4  -0.042383  -0.206485  -0.147285
+    1SOL     H5    5  -0.077880  -0.292381  -0.124393
+    1SOL     H6    6   0.006462  -0.221497  -0.228224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096880  -0.120069   0.222165
+    0SOL     H2    2  -0.003099  -0.133076   0.236245
+    0SOL     H3    3  -0.118703  -0.178979   0.149945
+    1SOL     O4    4   0.093088   0.117559  -0.217799
+    1SOL     H5    5   0.164908   0.180412  -0.225121
+    1SOL     H6    6   0.014025   0.169763  -0.231441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.129178  -0.233123   0.054877
+    0SOL     H2    2  -0.107284  -0.316450   0.096586
+    0SOL     H3    3  -0.167730  -0.257769  -0.029198
+    1SOL     O4    4   0.129903   0.232650  -0.056480
+    1SOL     H5    5   0.138107   0.322592  -0.088188
+    1SOL     H6    6   0.123634   0.241217   0.038649
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046903   0.188346  -0.204513
+    0SOL     H2    2   0.030656   0.233802  -0.121857
+    0SOL     H3    3   0.026043   0.252990  -0.271955
+    1SOL     O4    4  -0.049883  -0.195915   0.199388
+    1SOL     H5    5  -0.038944  -0.216623   0.292199
+    1SOL     H6    6   0.026971  -0.143295   0.177320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.191275  -0.199327  -0.106381
+    0SOL     H2    2  -0.177312  -0.260996  -0.034518
+    0SOL     H3    3  -0.187810  -0.113081  -0.065007
+    1SOL     O4    4   0.187994   0.192727   0.099571
+    1SOL     H5    5   0.167294   0.270462   0.047696
+    1SOL     H6    6   0.254534   0.222343   0.161681
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072332  -0.143085   0.243521
+    0SOL     H2    2  -0.055576  -0.074856   0.308531
+    0SOL     H3    3  -0.166512  -0.159164   0.249334
+    1SOL     O4    4   0.071053   0.137776  -0.245872
+    1SOL     H5    5   0.145295   0.092783  -0.286197
+    1SOL     H6    6   0.100528   0.228265  -0.235605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.184770  -0.232361   0.043656
+    0SOL     H2    2  -0.242961  -0.254821  -0.028951
+    0SOL     H3    3  -0.124933  -0.306773   0.050356
+    1SOL     O4    4   0.183342   0.231753  -0.037011
+    1SOL     H5    5   0.152390   0.315183  -0.001744
+    1SOL     H6    6   0.236610   0.255998  -0.112754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002793   0.200809  -0.235917
+    0SOL     H2    2   0.043399   0.259487  -0.176038
+    0SOL     H3    3   0.022587   0.112923  -0.207736
+    1SOL     O4    4  -0.000339  -0.194281   0.235201
+    1SOL     H5    5   0.035726  -0.282447   0.244602
+    1SOL     H6    6  -0.049463  -0.197075   0.153096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042950   0.183073   0.243554
+    0SOL     H2    2   0.009033   0.230035   0.308782
+    0SOL     H3    3   0.017940   0.119901   0.205292
+    1SOL     O4    4   0.032980  -0.184409  -0.240593
+    1SOL     H5    5   0.034748  -0.202556  -0.334561
+    1SOL     H6    6   0.110359  -0.130220  -0.225157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.194401   0.246892   0.066380
+    0SOL     H2    2   0.289696   0.254616   0.061731
+    0SOL     H3    3   0.167925   0.222717  -0.022372
+    1SOL     O4    4  -0.199020  -0.251686  -0.059509
+    1SOL     H5    5  -0.140685  -0.217988  -0.127507
+    1SOL     H6    6  -0.240345  -0.173671  -0.022518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004183  -0.386290   0.065280
+    0SOL     H2    2   0.079194  -0.363667   0.024065
+    0SOL     H3    3  -0.058379  -0.308163   0.054262
+    1SOL     O4    4   0.003631   0.385549  -0.065956
+    1SOL     H5    5  -0.080447   0.344628  -0.045497
+    1SOL     H6    6   0.068280   0.331634  -0.020394
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056493   0.325855   0.224566
+    0SOL     H2    2   0.087256   0.259300   0.163032
+    0SOL     H3    3   0.004387   0.385740   0.171077
+    1SOL     O4    4  -0.058444  -0.324699  -0.224568
+    1SOL     H5    5  -0.030991  -0.255491  -0.164410
+    1SOL     H6    6  -0.034012  -0.406008  -0.180362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046909  -0.220131   0.560563
+    0SOL     H2    2  -0.122362  -0.161345   0.556905
+    0SOL     H3    3   0.028781  -0.161749   0.565545
+    1SOL     O4    4   0.046411   0.220048  -0.559263
+    1SOL     H5    5   0.007716   0.174262  -0.633887
+    1SOL     H6    6   0.093804   0.152074  -0.511349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.385584   0.698396   0.151290
+    0SOL     H2    2   0.328561   0.751227   0.095436
+    0SOL     H3    3   0.474012   0.728914   0.131004
+    1SOL     O4    4  -0.385200  -0.701029  -0.153279
+    1SOL     H5    5  -0.352296  -0.769179  -0.094668
+    1SOL     H6    6  -0.457008  -0.660315  -0.104821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.591245   0.398914  -0.503426
+    0SOL     H2    2  -0.588371   0.494590  -0.503952
+    0SOL     H3    3  -0.620179   0.375289  -0.591556
+    1SOL     O4    4   0.591060  -0.396744   0.509783
+    1SOL     H5    5   0.676417  -0.428827   0.480672
+    1SOL     H6    6   0.536954  -0.475399   0.516729
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.843325   0.203570  -0.174911
+    0SOL     H2    2  -0.760937   0.249259  -0.157968
+    0SOL     H3    3  -0.889834   0.206149  -0.091289
+    1SOL     O4    4   0.842086  -0.205049   0.176108
+    1SOL     H5    5   0.763035  -0.222961   0.125192
+    1SOL     H6    6   0.912877  -0.206108   0.111688
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.696735  -0.406623   0.574179
+    0SOL     H2    2   0.763810  -0.415944   0.641828
+    0SOL     H3    3   0.666603  -0.495985   0.557785
+    1SOL     O4    4  -0.698298   0.413917  -0.570068
+    1SOL     H5    5  -0.683307   0.326043  -0.604936
+    1SOL     H6    6  -0.718745   0.467091  -0.646989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -1.217877  -0.199263  -0.543652
+    0SOL     H2    2  -1.263366  -0.207264  -0.459812
+    0SOL     H3    3  -1.140323  -0.254575  -0.534251
+    1SOL     O4    4   1.213932   0.203303   0.544604
+    1SOL     H5    5   1.181666   0.251341   0.468358
+    1SOL     H6    6   1.283203   0.147048   0.509975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087864  -0.078409  -0.050366
+    0SOL     H2    2  -0.005394  -0.033318  -0.032260
+    0SOL     H3    3  -0.073483  -0.167953  -0.019749
+    1SOL     O4    4   0.084541   0.075316   0.048147
+    1SOL     H5    5   0.091240   0.133857  -0.027287
+    1SOL     H6    6   0.033117   0.124478   0.112186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111461   0.067256  -0.001655
+    0SOL     H2    2  -0.187666   0.019844   0.031620
+    0SOL     H3    3  -0.037071   0.010707   0.019097
+    1SOL     O4    4   0.107042  -0.057999   0.002322
+    1SOL     H5    5   0.201282  -0.043239  -0.005628
+    1SOL     H6    6   0.092308  -0.142468  -0.040224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041329   0.097889   0.084040
+    0SOL     H2    2  -0.007796   0.058027   0.164345
+    0SOL     H3    3  -0.012907   0.038852   0.014261
+    1SOL     O4    4   0.035113  -0.088567  -0.080475
+    1SOL     H5    5   0.065627  -0.065902  -0.168324
+    1SOL     H6    6   0.053157  -0.182208  -0.072218
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117230  -0.041312  -0.054303
+    0SOL     H2    2   0.186756  -0.038676   0.011436
+    0SOL     H3    3   0.036660  -0.027142  -0.004604
+    1SOL     O4    4  -0.115086   0.035284   0.044658
+    1SOL     H5    5  -0.072932   0.121214   0.043497
+    1SOL     H6    6  -0.188680   0.045469   0.105010
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100108   0.032624   0.088633
+    0SOL     H2    2  -0.019155   0.000794   0.048687
+    0SOL     H3    3  -0.169718  -0.013394   0.041739
+    1SOL     O4    4   0.100203  -0.034247  -0.080916
+    1SOL     H5    5   0.081565  -0.012159  -0.172169
+    1SOL     H6    6   0.115257   0.050172  -0.038383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047623   0.015511  -0.127655
+    0SOL     H2    2  -0.025638   0.035251  -0.186011
+    0SOL     H3    3   0.006466  -0.017478  -0.047780
+    1SOL     O4    4  -0.043876  -0.019327   0.122365
+    1SOL     H5    5  -0.060395   0.074531   0.131320
+    1SOL     H6    6   0.023549  -0.038163   0.187645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083690   0.025997   0.106371
+    0SOL     H2    2  -0.023957   0.023751   0.031610
+    0SOL     H3    3  -0.121782   0.113780   0.104025
+    1SOL     O4    4   0.084760  -0.025155  -0.099418
+    1SOL     H5    5   0.023761  -0.038423  -0.171981
+    1SOL     H6    6   0.108667  -0.113596  -0.071687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093575  -0.063713   0.062833
+    0SOL     H2    2  -0.123144  -0.029625   0.147249
+    0SOL     H3    3  -0.171873  -0.102678   0.023929
+    1SOL     O4    4   0.106589   0.062169  -0.065777
+    1SOL     H5    5   0.029825   0.011550  -0.039180
+    1SOL     H6    6   0.071451   0.147525  -0.091115
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031334   0.124678   0.022125
+    0SOL     H2    2  -0.003422   0.203777   0.063329
+    0SOL     H3    3   0.044302   0.149074  -0.069521
+    1SOL     O4    4  -0.033999  -0.132109  -0.024125
+    1SOL     H5    5   0.015801  -0.195828   0.027082
+    1SOL     H6    6  -0.011758  -0.047484   0.014686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061386  -0.110743  -0.052185
+    0SOL     H2    2   0.030891  -0.136178  -0.052684
+    0SOL     H3    3  -0.090953  -0.129443   0.036913
+    1SOL     O4    4   0.053710   0.117534   0.049542
+    1SOL     H5    5   0.148415   0.127479   0.039834
+    1SOL     H6    6   0.035138   0.030068   0.015379
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042815  -0.107510  -0.077420
+    0SOL     H2    2   0.085335  -0.174413  -0.023771
+    0SOL     H3    3   0.033827  -0.032131  -0.019114
+    1SOL     O4    4  -0.040976   0.102299   0.073371
+    1SOL     H5    5  -0.011475   0.173474   0.016572
+    1SOL     H6    6  -0.135543   0.115129   0.080775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047346  -0.086868  -0.098873
+    0SOL     H2    2  -0.078041  -0.046865  -0.180236
+    0SOL     H3    3  -0.044957  -0.014687  -0.036052
+    1SOL     O4    4   0.042224   0.080414   0.098476
+    1SOL     H5    5   0.086249   0.086812   0.183230
+    1SOL     H6    6   0.112536   0.089497   0.034164
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007797  -0.042973  -0.127979
+    0SOL     H2    2   0.031747   0.045187  -0.099405
+    0SOL     H3    3   0.031911  -0.045569  -0.220575
+    1SOL     O4    4  -0.005251   0.042430   0.133049
+    1SOL     H5    5  -0.090367   0.042887   0.176838
+    1SOL     H6    6  -0.011320  -0.028927   0.069538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049871  -0.098715  -0.072763
+    0SOL     H2    2   0.036623  -0.118831  -0.108490
+    0SOL     H3    3  -0.103961  -0.173837  -0.097118
+    1SOL     O4    4   0.052408   0.103255   0.081646
+    1SOL     H5    5   0.006474   0.037822   0.029007
+    1SOL     H6    6   0.020643   0.187273   0.048567
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066016   0.117482  -0.039324
+    0SOL     H2    2  -0.135456   0.113927  -0.105109
+    0SOL     H3    3  -0.061577   0.028518  -0.004282
+    1SOL     O4    4   0.068198  -0.107759   0.045390
+    1SOL     H5    5   0.020715  -0.170671  -0.008922
+    1SOL     H6    6   0.160289  -0.121688   0.023310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080672   0.017246   0.105132
+    0SOL     H2    2   0.038869   0.071471   0.172023
+    0SOL     H3    3   0.168508   0.054123   0.095790
+    1SOL     O4    4  -0.090820  -0.024514  -0.110088
+    1SOL     H5    5  -0.046916  -0.018297  -0.025258
+    1SOL     H6    6  -0.022552  -0.004084  -0.173997
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041979   0.004950   0.135122
+    0SOL     H2    2   0.075460   0.088945   0.166526
+    0SOL     H3    3   0.003221   0.024911   0.049906
+    1SOL     O4    4  -0.045770  -0.007627  -0.128130
+    1SOL     H5    5   0.025035   0.028398  -0.181525
+    1SOL     H6    6  -0.044241  -0.101564  -0.146458
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036654  -0.075211  -0.117787
+    0SOL     H2    2   0.014821  -0.036496  -0.046979
+    0SOL     H3    3  -0.083925  -0.001386  -0.156228
+    1SOL     O4    4   0.030570   0.065615   0.115264
+    1SOL     H5    5   0.054043   0.156397   0.096031
+    1SOL     H6    6   0.112254   0.025470   0.144903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088953   0.100427   0.007069
+    0SOL     H2    2  -0.095117   0.195821   0.002142
+    0SOL     H3    3  -0.137684   0.077282   0.086139
+    1SOL     O4    4   0.091885  -0.110455  -0.007702
+    1SOL     H5    5   0.039423  -0.031317   0.004437
+    1SOL     H6    6   0.149224  -0.090135  -0.081605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048773   0.117095  -0.071083
+    0SOL     H2    2  -0.006851   0.170248  -0.003411
+    0SOL     H3    3  -0.032979   0.026710  -0.043820
+    1SOL     O4    4   0.043556  -0.114792   0.059420
+    1SOL     H5    5   0.117111  -0.069936   0.101134
+    1SOL     H6    6   0.005178  -0.167936   0.129171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000371  -0.142297  -0.025140
+    0SOL     H2    2   0.021612  -0.050136  -0.011520
+    0SOL     H3    3   0.069538  -0.190436   0.019106
+    1SOL     O4    4  -0.009285   0.134869   0.022433
+    1SOL     H5    5   0.052143   0.163775   0.089912
+    1SOL     H6    6   0.008823   0.191693  -0.052436
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140542  -0.021712  -0.013346
+    0SOL     H2    2   0.205361   0.011584   0.048719
+    0SOL     H3    3   0.078218   0.050176  -0.023835
+    1SOL     O4    4  -0.134624   0.013859   0.011074
+    1SOL     H5    5  -0.213106  -0.040907   0.012930
+    1SOL     H6    6  -0.167468   0.102330  -0.004945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011075   0.134225  -0.059796
+    0SOL     H2    2  -0.039341   0.045417  -0.037965
+    0SOL     H3    3   0.083159   0.134228  -0.042998
+    1SOL     O4    4   0.003884  -0.125052   0.056401
+    1SOL     H5    5  -0.015121  -0.201617   0.110614
+    1SOL     H6    6   0.094086  -0.138139   0.027168
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000239  -0.120247  -0.068900
+    0SOL     H2    2  -0.050757  -0.127305  -0.149896
+    0SOL     H3    3  -0.041243  -0.183104  -0.009487
+    1SOL     O4    4  -0.000183   0.125650   0.073847
+    1SOL     H5    5   0.024783   0.045438   0.027967
+    1SOL     H6    6   0.072105   0.186198   0.057395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131123   0.059452   0.023403
+    0SOL     H2    2   0.158946   0.017320  -0.057918
+    0SOL     H3    3   0.065533   0.123556  -0.004001
+    1SOL     O4    4  -0.134248  -0.060527  -0.013317
+    1SOL     H5    5  -0.105158  -0.002475  -0.083646
+    1SOL     H6    6  -0.065052  -0.126293  -0.006319
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054022   0.089646   0.103522
+    0SOL     H2    2  -0.071553   0.070616   0.011365
+    0SOL     H3    3   0.015852   0.155040   0.101652
+    1SOL     O4    4   0.052642  -0.086584  -0.093874
+    1SOL     H5    5   0.009754  -0.093543  -0.179165
+    1SOL     H6    6   0.071561  -0.177078  -0.069071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021206  -0.147490   0.006110
+    0SOL     H2    2  -0.061332  -0.177304  -0.075519
+    0SOL     H3    3  -0.011114  -0.052981  -0.005228
+    1SOL     O4    4   0.021474   0.137866  -0.002740
+    1SOL     H5    5   0.059651   0.160249   0.082136
+    1SOL     H6    6   0.011321   0.221917  -0.047403
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051432  -0.139453   0.000395
+    0SOL     H2    2  -0.024259  -0.173438   0.085653
+    0SOL     H3    3   0.007175  -0.065516  -0.015755
+    1SOL     O4    4   0.051766   0.133147  -0.000023
+    1SOL     H5    5   0.065153   0.174623  -0.085245
+    1SOL     H6    6  -0.032663   0.166772   0.030033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012120  -0.031296  -0.147714
+    0SOL     H2    2   0.011948   0.006156  -0.059625
+    0SOL     H3    3   0.094483  -0.001480  -0.186308
+    1SOL     O4    4  -0.011227   0.030173   0.142329
+    1SOL     H5    5  -0.102276   0.047271   0.118243
+    1SOL     H6    6  -0.016712  -0.035216   0.212017
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010368   0.007083  -0.155128
+    0SOL     H2    2   0.041740   0.000628  -0.075094
+    0SOL     H3    3  -0.101101   0.008276  -0.124659
+    1SOL     O4    4   0.008848  -0.004634   0.142706
+    1SOL     H5    5   0.042277  -0.091655   0.164432
+    1SOL     H6    6   0.034344   0.050101   0.216978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118578  -0.027826   0.080573
+    0SOL     H2    2  -0.142572   0.050064   0.130771
+    0SOL     H3    3  -0.201395  -0.073669   0.066358
+    1SOL     O4    4   0.124782   0.024767  -0.089460
+    1SOL     H5    5   0.199166   0.042939  -0.032020
+    1SOL     H6    6   0.048649   0.026708  -0.031475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.109870  -0.091212  -0.059659
+    0SOL     H2    2  -0.091838  -0.184863  -0.051489
+    0SOL     H3    3  -0.044403  -0.049211  -0.003871
+    1SOL     O4    4   0.103619   0.087764   0.056414
+    1SOL     H5    5   0.190997   0.126819   0.057863
+    1SOL     H6    6   0.044198   0.162231   0.047136
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104829   0.106936   0.007959
+    0SOL     H2    2  -0.194099   0.072679   0.012391
+    0SOL     H3    3  -0.092724   0.130549  -0.084009
+    1SOL     O4    4   0.116503  -0.104666  -0.003180
+    1SOL     H5    5   0.044575  -0.058393   0.039803
+    1SOL     H6    6   0.074988  -0.180252  -0.044721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066977   0.008008  -0.132737
+    0SOL     H2    2   0.160003  -0.013617  -0.126338
+    0SOL     H3    3   0.064486   0.087964  -0.185303
+    1SOL     O4    4  -0.077550  -0.009298   0.136593
+    1SOL     H5    5  -0.039108  -0.017945   0.049360
+    1SOL     H6    6  -0.008781  -0.039014   0.196177
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013886  -0.075852  -0.144640
+    0SOL     H2    2   0.021843   0.009983  -0.186248
+    0SOL     H3    3  -0.004008  -0.056363  -0.052649
+    1SOL     O4    4  -0.015297   0.063483   0.143103
+    1SOL     H5    5  -0.065429   0.138522   0.111192
+    1SOL     H6    6   0.074275   0.096214   0.151341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139818   0.086828   0.006051
+    0SOL     H2    2  -0.079743   0.141637   0.056542
+    0SOL     H3    3  -0.090818   0.006235  -0.010260
+    1SOL     O4    4   0.128497  -0.088267  -0.009613
+    1SOL     H5    5   0.165060  -0.078374   0.078294
+    1SOL     H6    6   0.186346  -0.036518  -0.065629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064754   0.142310   0.001642
+    0SOL     H2    2  -0.150747   0.101212   0.010497
+    0SOL     H3    3  -0.067426   0.185389  -0.083794
+    1SOL     O4    4   0.069141  -0.146748   0.008138
+    1SOL     H5    5   0.097878  -0.171334  -0.079794
+    1SOL     H6    6   0.055195  -0.052175   0.003261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004992  -0.128974  -0.089781
+    0SOL     H2    2  -0.094063  -0.127586  -0.054755
+    0SOL     H3    3  -0.016594  -0.132840  -0.184717
+    1SOL     O4    4   0.016465   0.133770   0.093979
+    1SOL     H5    5   0.015546   0.052236   0.043843
+    1SOL     H6    6  -0.069747   0.137442   0.135408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101583  -0.105636   0.063606
+    0SOL     H2    2   0.192769  -0.125576   0.042396
+    0SOL     H3    3   0.099713  -0.010554   0.074482
+    1SOL     O4    4  -0.105717   0.094928  -0.065670
+    1SOL     H5    5  -0.112065   0.176787  -0.114875
+    1SOL     H6    6  -0.105201   0.122077   0.026117
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044004   0.068607  -0.137080
+    0SOL     H2    2   0.047344   0.075883  -0.109422
+    0SOL     H3    3  -0.044394   0.100646  -0.227277
+    1SOL     O4    4   0.036428  -0.065630   0.144619
+    1SOL     H5    5   0.118704  -0.059277   0.096115
+    1SOL     H6    6   0.000717  -0.151022   0.120222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055898   0.115295   0.107856
+    0SOL     H2    2  -0.145139   0.089414   0.130847
+    0SOL     H3    3  -0.037177   0.067650   0.026975
+    1SOL     O4    4   0.058886  -0.109573  -0.098465
+    1SOL     H5    5   0.129671  -0.087599  -0.159037
+    1SOL     H6    6  -0.000367  -0.164557  -0.149731
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089177   0.000553   0.140622
+    0SOL     H2    2  -0.102517   0.043961   0.056360
+    0SOL     H3    3  -0.156590   0.037556   0.197618
+    1SOL     O4    4   0.094688  -0.002711  -0.132990
+    1SOL     H5    5   0.040333  -0.077314  -0.158330
+    1SOL     H6    6   0.122763   0.035819  -0.215994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007090   0.153937   0.083537
+    0SOL     H2    2   0.010643   0.132360  -0.008018
+    0SOL     H3    3  -0.101428   0.141070   0.093388
+    1SOL     O4    4   0.017709  -0.154153  -0.078224
+    1SOL     H5    5  -0.033103  -0.103267  -0.015049
+    1SOL     H6    6  -0.042452  -0.168731  -0.151234
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056771   0.147641   0.072305
+    0SOL     H2    2  -0.144707   0.151789   0.034725
+    0SOL     H3    3   0.001402   0.170615  -0.000154
+    1SOL     O4    4   0.058847  -0.153894  -0.069973
+    1SOL     H5    5   0.016743  -0.157661   0.015907
+    1SOL     H6    6   0.094377  -0.065179  -0.075411
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073479   0.089816   0.124321
+    0SOL     H2    2  -0.010106   0.157098   0.099436
+    0SOL     H3    3  -0.156793   0.136510   0.130709
+    1SOL     O4    4   0.074483  -0.092872  -0.128912
+    1SOL     H5    5   0.073715  -0.056822  -0.040243
+    1SOL     H6    6   0.076844  -0.187720  -0.116236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018033  -0.126277  -0.133174
+    0SOL     H2    2   0.034649  -0.155698  -0.058868
+    0SOL     H3    3  -0.026100  -0.031688  -0.120918
+    1SOL     O4    4   0.014700   0.116421   0.126289
+    1SOL     H5    5   0.082171   0.178013   0.097716
+    1SOL     H6    6  -0.040851   0.167353   0.185300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067417   0.097530   0.135801
+    0SOL     H2    2   0.095254   0.011064   0.105617
+    0SOL     H3    3   0.147377   0.150142   0.134932
+    1SOL     O4    4  -0.074288  -0.093396  -0.127246
+    1SOL     H5    5  -0.091561  -0.179691  -0.164892
+    1SOL     H6    6  -0.051995  -0.038456  -0.202391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013286  -0.018364  -0.179196
+    0SOL     H2    2   0.008286   0.054229  -0.117006
+    0SOL     H3    3   0.037923   0.022693  -0.262079
+    1SOL     O4    4  -0.017297   0.005566   0.180600
+    1SOL     H5    5   0.052801   0.034019   0.239244
+    1SOL     H6    6  -0.031333   0.080009   0.122088
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055088  -0.149982   0.094008
+    0SOL     H2    2   0.032710  -0.071050   0.044700
+    0SOL     H3    3   0.000570  -0.145472   0.172557
+    1SOL     O4    4  -0.045831   0.147012  -0.091135
+    1SOL     H5    5  -0.044822   0.154639  -0.186545
+    1SOL     H6    6  -0.134254   0.116777  -0.070410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034770   0.084620  -0.150070
+    0SOL     H2    2   0.020818   0.119175  -0.238238
+    0SOL     H3    3   0.062618   0.160440  -0.098707
+    1SOL     O4    4  -0.041759  -0.090060   0.155366
+    1SOL     H5    5  -0.014811  -0.068993   0.065967
+    1SOL     H6    6   0.034521  -0.133180   0.193894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040810   0.100276  -0.146594
+    0SOL     H2    2   0.001122   0.182858  -0.174295
+    0SOL     H3    3  -0.033358   0.041188  -0.133554
+    1SOL     O4    4  -0.030551  -0.097252   0.150435
+    1SOL     H5    5  -0.124983  -0.088760   0.137288
+    1SOL     H6    6  -0.008112  -0.181006   0.109887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.154972  -0.110411  -0.027968
+    0SOL     H2    2  -0.095325  -0.102465  -0.102409
+    0SOL     H3    3  -0.130311  -0.038598   0.030316
+    1SOL     O4    4   0.149041   0.112464   0.028876
+    1SOL     H5    5   0.155813   0.051887  -0.044927
+    1SOL     H6    6   0.156794   0.056826   0.106379
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062356  -0.062591  -0.160343
+    0SOL     H2    2   0.082922   0.025479  -0.128988
+    0SOL     H3    3   0.124328  -0.077739  -0.231704
+    1SOL     O4    4  -0.068283   0.062738   0.167118
+    1SOL     H5    5  -0.020617   0.068368   0.084302
+    1SOL     H6    6  -0.101269  -0.027080   0.169765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023265   0.178397  -0.050526
+    0SOL     H2    2   0.080969   0.104719  -0.030426
+    0SOL     H3    3   0.065480   0.222531  -0.124230
+    1SOL     O4    4  -0.022365  -0.177787   0.053101
+    1SOL     H5    5  -0.075590  -0.117165   0.001580
+    1SOL     H6    6  -0.084437  -0.219260   0.113012
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024274  -0.158434  -0.103328
+    0SOL     H2    2  -0.099361  -0.182215  -0.048934
+    0SOL     H3    3   0.024932  -0.239935  -0.113264
+    1SOL     O4    4   0.028480   0.159055   0.105003
+    1SOL     H5    5   0.001482   0.151658   0.013468
+    1SOL     H6    6   0.005589   0.248681   0.129608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146321   0.117603  -0.071843
+    0SOL     H2    2  -0.147885   0.205984  -0.108567
+    0SOL     H3    3  -0.055396   0.104369  -0.045011
+    1SOL     O4    4   0.139684  -0.115235   0.073206
+    1SOL     H5    5   0.150083  -0.179364   0.143503
+    1SOL     H6    6   0.161576  -0.163344  -0.006598
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149437  -0.126773  -0.056906
+    0SOL     H2    2   0.079741  -0.135263  -0.121966
+    0SOL     H3    3   0.133329  -0.198019   0.004955
+    1SOL     O4    4  -0.146746   0.128394   0.051304
+    1SOL     H5    5  -0.064903   0.110624   0.097653
+    1SOL     H6    6  -0.189285   0.196756   0.103068
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124642  -0.031625  -0.158327
+    0SOL     H2    2   0.148435  -0.074943  -0.240301
+    0SOL     H3    3   0.040208   0.009599  -0.176596
+    1SOL     O4    4  -0.120231   0.031937   0.169889
+    1SOL     H5    5  -0.189532  -0.011663   0.120303
+    1SOL     H6    6  -0.065888   0.074017   0.103268
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.157601   0.019057   0.130083
+    0SOL     H2    2  -0.083198   0.058230   0.175822
+    0SOL     H3    3  -0.234218   0.048289   0.179456
+    1SOL     O4    4   0.158237  -0.029728  -0.134493
+    1SOL     H5    5   0.135260   0.040088  -0.073173
+    1SOL     H6    6   0.162838   0.013696  -0.219672
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132860   0.188540   0.003203
+    0SOL     H2    2  -0.094247   0.200689  -0.083537
+    0SOL     H3    3  -0.099770   0.103643   0.032525
+    1SOL     O4    4   0.124574  -0.178539  -0.002015
+    1SOL     H5    5   0.210853  -0.176918   0.039404
+    1SOL     H6    6   0.101701  -0.271392  -0.006196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124933   0.144043   0.107168
+    0SOL     H2    2  -0.111887   0.195678   0.186704
+    0SOL     H3    3  -0.212497   0.168191   0.076972
+    1SOL     O4    4   0.132278  -0.150508  -0.114720
+    1SOL     H5    5   0.122563  -0.060290  -0.084245
+    1SOL     H6    6   0.078974  -0.202134  -0.054256
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.219820   0.027295   0.064876
+    0SOL     H2    2   0.176363   0.106857   0.034155
+    0SOL     H3    3   0.279304   0.003458  -0.006228
+    1SOL     O4    4  -0.226512  -0.028975  -0.060390
+    1SOL     H5    5  -0.148863   0.026967  -0.062224
+    1SOL     H6    6  -0.194317  -0.113718  -0.029659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116336   0.059755   0.196433
+    0SOL     H2    2  -0.113160  -0.035886   0.194192
+    0SOL     H3    3  -0.209661   0.080571   0.200849
+    1SOL     O4    4   0.119504  -0.049263  -0.197343
+    1SOL     H5    5   0.202957  -0.089044  -0.222151
+    1SOL     H6    6   0.069828  -0.120654  -0.157372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034621   0.062145   0.233858
+    0SOL     H2    2   0.034223  -0.018621   0.285228
+    0SOL     H3    3   0.050971   0.033378   0.144039
+    1SOL     O4    4  -0.037822  -0.053662  -0.238214
+    1SOL     H5    5  -0.090706  -0.056199  -0.158470
+    1SOL     H6    6   0.047748  -0.087094  -0.211337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035112   0.174416   0.156314
+    0SOL     H2    2   0.081249   0.130266   0.227620
+    0SOL     H3    3   0.029371   0.265753   0.184365
+    1SOL     O4    4  -0.035038  -0.178578  -0.168103
+    1SOL     H5    5  -0.090416  -0.103943  -0.145188
+    1SOL     H6    6  -0.023194  -0.225862  -0.085724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061770  -0.205045   0.104433
+    0SOL     H2    2   0.049151  -0.232852   0.195152
+    0SOL     H3    3   0.067354  -0.286731   0.054849
+    1SOL     O4    4  -0.062811   0.206157  -0.103683
+    1SOL     H5    5  -0.032590   0.290179  -0.069197
+    1SOL     H6    6  -0.065819   0.218821  -0.198513
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036106  -0.040766   0.233879
+    0SOL     H2    2   0.040304   0.037124   0.289358
+    0SOL     H3    3  -0.008755  -0.106085   0.287573
+    1SOL     O4    4  -0.030300   0.034661  -0.243694
+    1SOL     H5    5  -0.108571   0.037803  -0.188685
+    1SOL     H6    6  -0.004870   0.126306  -0.254505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094004   0.238421  -0.014667
+    0SOL     H2    2   0.040240   0.167369  -0.049643
+    0SOL     H3    3   0.074782   0.313168  -0.071286
+    1SOL     O4    4  -0.090368  -0.243897   0.015169
+    1SOL     H5    5  -0.022204  -0.177073   0.022280
+    1SOL     H6    6  -0.148213  -0.227187   0.089581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047353   0.248871  -0.007304
+    0SOL     H2    2  -0.050349   0.344543  -0.006912
+    0SOL     H3    3  -0.096935   0.222990   0.070376
+    1SOL     O4    4   0.047968  -0.258192   0.000609
+    1SOL     H5    5   0.132233  -0.213892  -0.009359
+    1SOL     H6    6  -0.001032  -0.203104   0.061656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077793  -0.197066   0.150362
+    0SOL     H2    2  -0.155700  -0.233328   0.192527
+    0SOL     H3    3  -0.004740  -0.244467   0.190093
+    1SOL     O4    4   0.079641   0.207801  -0.154036
+    1SOL     H5    5   0.107715   0.138811  -0.093915
+    1SOL     H6    6   0.022565   0.163289  -0.216672
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062581   0.275950  -0.017739
+    0SOL     H2    2   0.015714   0.222168  -0.029559
+    0SOL     H3    3  -0.114871   0.228358   0.046783
+    1SOL     O4    4   0.057628  -0.265795   0.018767
+    1SOL     H5    5   0.143135  -0.307210   0.030412
+    1SOL     H6    6   0.033116  -0.286308  -0.071459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104860   0.000761   0.277456
+    0SOL     H2    2   0.014453   0.030940   0.286296
+    0SOL     H3    3   0.135851  -0.008894   0.367504
+    1SOL     O4    4  -0.099704   0.002510  -0.286658
+    1SOL     H5    5  -0.056380  -0.028829  -0.207266
+    1SOL     H6    6  -0.180977  -0.047860  -0.291124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003572  -0.021880   0.309169
+    0SOL     H2    2  -0.052987  -0.082807   0.261721
+    0SOL     H3    3  -0.004957   0.060762   0.261630
+    1SOL     O4    4  -0.003473   0.025931  -0.304965
+    1SOL     H5    5   0.090534   0.023877  -0.287059
+    1SOL     H6    6  -0.030665  -0.065761  -0.301014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122210   0.303359   0.177224
+    0SOL     H2    2  -0.120169   0.287506   0.271600
+    0SOL     H3    3  -0.206022   0.267050   0.148597
+    1SOL     O4    4   0.122316  -0.304299  -0.182469
+    1SOL     H5    5   0.209256  -0.300099  -0.222296
+    1SOL     H6    6   0.122235  -0.233960  -0.117548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.176453  -0.234498   0.261675
+    0SOL     H2    2   0.202517  -0.185327   0.339554
+    0SOL     H3    3   0.087461  -0.264176   0.280699
+    1SOL     O4    4  -0.171094   0.237814  -0.270935
+    1SOL     H5    5  -0.161754   0.238774  -0.175676
+    1SOL     H6    6  -0.213441   0.154126  -0.290054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116649  -0.353231  -0.135362
+    0SOL     H2    2  -0.124839  -0.395174  -0.221013
+    0SOL     H3    3  -0.025932  -0.369263  -0.109366
+    1SOL     O4    4   0.112588   0.359082   0.132021
+    1SOL     H5    5   0.189842   0.345247   0.186818
+    1SOL     H6    6   0.039218   0.330046   0.186207
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065004  -0.400857  -0.077742
+    0SOL     H2    2  -0.114404  -0.325588  -0.045236
+    0SOL     H3    3   0.007323  -0.410652  -0.015813
+    1SOL     O4    4   0.060329   0.402466   0.076213
+    1SOL     H5    5   0.056779   0.382254  -0.017281
+    1SOL     H6    6   0.123100   0.339672   0.111975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009383  -0.413201  -0.081272
+    0SOL     H2    2   0.099381  -0.444314  -0.091000
+    0SOL     H3    3  -0.044705  -0.487186  -0.108897
+    1SOL     O4    4  -0.006731   0.419693   0.077850
+    1SOL     H5    5  -0.032790   0.341132   0.125928
+    1SOL     H6    6  -0.051253   0.491365   0.123052
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097725  -0.418472  -0.029277
+    0SOL     H2    2   0.035769  -0.382038  -0.092495
+    0SOL     H3    3   0.128596  -0.499472  -0.069877
+    1SOL     O4    4  -0.100334   0.421950   0.029439
+    1SOL     H5    5  -0.046408   0.487795   0.073242
+    1SOL     H6    6  -0.084239   0.341300   0.078416
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108864  -0.058111  -0.413055
+    0SOL     H2    2   0.178783   0.007000  -0.418910
+    0SOL     H3    3   0.114604  -0.106941  -0.495183
+    1SOL     O4    4  -0.118772   0.054573   0.418835
+    1SOL     H5    5  -0.094670   0.146124   0.432974
+    1SOL     H6    6  -0.038232   0.013041   0.388002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015979   0.216630  -0.374224
+    0SOL     H2    2   0.022451   0.141508  -0.419414
+    0SOL     H3    3  -0.061959   0.264975  -0.442860
+    1SOL     O4    4   0.015227  -0.217804   0.374452
+    1SOL     H5    5   0.093599  -0.231236   0.427741
+    1SOL     H6    6  -0.040857  -0.161662   0.427978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.198056  -0.308911  -0.276921
+    0SOL     H2    2   0.142145  -0.257636  -0.335290
+    0SOL     H3    3   0.176485  -0.399999  -0.296920
+    1SOL     O4    4  -0.191019   0.306227   0.282883
+    1SOL     H5    5  -0.225486   0.371800   0.343501
+    1SOL     H6    6  -0.211245   0.340896   0.195984
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.138799  -0.223428   0.458598
+    0SOL     H2    2  -0.127799  -0.128379   0.461246
+    0SOL     H3    3  -0.123886  -0.246770   0.366974
+    1SOL     O4    4   0.141306   0.224884  -0.455259
+    1SOL     H5    5   0.070951   0.219772  -0.390557
+    1SOL     H6    6   0.146768   0.136583  -0.491801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.161762  -0.103141  -0.508872
+    0SOL     H2    2   0.148776  -0.160110  -0.584688
+    0SOL     H3    3   0.090217  -0.125655  -0.449401
+    1SOL     O4    4  -0.156667   0.103619   0.515892
+    1SOL     H5    5  -0.085798   0.146982   0.468357
+    1SOL     H6    6  -0.235174   0.122664   0.464547
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010330  -0.027043   0.542835
+    0SOL     H2    2   0.076184  -0.008906   0.579561
+    0SOL     H3    3  -0.049549  -0.089721   0.603626
+    1SOL     O4    4   0.010682   0.025586  -0.552285
+    1SOL     H5    5  -0.048162   0.005958  -0.479385
+    1SOL     H6    6   0.012585   0.121193  -0.556518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.365756   0.484576  -0.338345
+    0SOL     H2    2  -0.380668   0.413795  -0.401034
+    0SOL     H3    3  -0.270675   0.495481  -0.336632
+    1SOL     O4    4   0.361508  -0.479817   0.348334
+    1SOL     H5    5   0.363798  -0.418929   0.274512
+    1SOL     H6    6   0.359485  -0.566536   0.307863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.814055   0.341367  -0.077551
+    0SOL     H2    2  -0.797873   0.435637  -0.073859
+    0SOL     H3    3  -0.762775   0.305362  -0.005188
+    1SOL     O4    4   0.811392  -0.342309   0.066878
+    1SOL     H5    5   0.726912  -0.378629   0.093455
+    1SOL     H6    6   0.866195  -0.349337   0.145042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.848883   0.534711   0.138491
+    0SOL     H2    2   0.836288   0.443110   0.113733
+    0SOL     H3    3   0.920959   0.564831   0.083172
+    1SOL     O4    4  -0.853627  -0.525476  -0.130204
+    1SOL     H5    5  -0.770690  -0.549784  -0.171350
+    1SOL     H6    6  -0.913434  -0.596699  -0.152850
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   1.059026   0.357539  -0.355201
+    0SOL     H2    2   0.977993   0.352313  -0.304519
+    0SOL     H3    3   1.085972   0.449105  -0.348001
+    1SOL     O4    4  -1.053200  -0.357555   0.348479
+    1SOL     H5    5  -1.024761  -0.445812   0.372234
+    1SOL     H6    6  -1.137952  -0.347191   0.391746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   1.169952   0.131060  -0.045462
+    0SOL     H2    2   1.219196   0.152998  -0.124557
+    0SOL     H3    3   1.115382   0.207971  -0.029061
+    1SOL     O4    4  -1.175691  -0.136941   0.049731
+    1SOL     H5    5  -1.114038  -0.184876   0.105080
+    1SOL     H6    6  -1.120389  -0.090034  -0.012749
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120062  -0.034304  -0.039081
+    0SOL     H2    2   0.036947  -0.011772   0.002710
+    0SOL     H3    3   0.116454  -0.129331  -0.049991
+    1SOL     O4    4  -0.109809   0.034936   0.033799
+    1SOL     H5    5  -0.107848   0.128031   0.055976
+    1SOL     H6    6  -0.193716   0.003915   0.067854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.109897   0.037067   0.064480
+    0SOL     H2    2  -0.157544  -0.045263   0.053811
+    0SOL     H3    3  -0.025002   0.021185   0.023214
+    1SOL     O4    4   0.105851  -0.024944  -0.062939
+    1SOL     H5    5   0.092648  -0.106635  -0.111049
+    1SOL     H6    6   0.153622  -0.050935   0.015831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.100579   0.034337  -0.079303
+    0SOL     H2    2   0.021182  -0.002259  -0.040326
+    0SOL     H3    3   0.080516   0.041224  -0.172643
+    1SOL     O4    4  -0.095316  -0.026378   0.079579
+    1SOL     H5    5  -0.046805  -0.044154   0.160158
+    1SOL     H6    6  -0.131043  -0.111366   0.053831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071902   0.095719  -0.060759
+    0SOL     H2    2   0.072975   0.108020  -0.155679
+    0SOL     H3    3   0.003404   0.030558  -0.045776
+    1SOL     O4    4  -0.069087  -0.090362   0.058657
+    1SOL     H5    5  -0.105125  -0.053208   0.139175
+    1SOL     H6    6  -0.012980  -0.162023   0.088306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057367  -0.000128   0.112546
+    0SOL     H2    2   0.143867  -0.026156   0.144210
+    0SOL     H3    3  -0.003943  -0.042874   0.172347
+    1SOL     O4    4  -0.063323   0.003861  -0.123108
+    1SOL     H5    5   0.030041  -0.017204  -0.124438
+    1SOL     H6    6  -0.079615   0.035080  -0.034101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000826  -0.084002  -0.093884
+    0SOL     H2    2   0.013556  -0.069305  -0.187369
+    0SOL     H3    3   0.002056  -0.179149  -0.083827
+    1SOL     O4    4  -0.004891   0.094317   0.100661
+    1SOL     H5    5   0.084420   0.077121   0.130496
+    1SOL     H6    6  -0.021826   0.026495   0.035272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063367  -0.003163  -0.119615
+    0SOL     H2    2  -0.039560  -0.029353  -0.030679
+    0SOL     H3    3  -0.047406  -0.081200  -0.172697
+    1SOL     O4    4   0.059987   0.002331   0.116090
+    1SOL     H5    5   0.109422   0.064764   0.062981
+    1SOL     H6    6   0.032034   0.052700   0.192536
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108898   0.084988   0.005096
+    0SOL     H2    2  -0.053932   0.163276   0.008564
+    0SOL     H3    3  -0.047096   0.012747  -0.006041
+    1SOL     O4    4   0.096399  -0.088314  -0.002347
+    1SOL     H5    5   0.122364  -0.073707  -0.093313
+    1SOL     H6    6   0.167953  -0.051215   0.049287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000092   0.127326   0.053984
+    0SOL     H2    2  -0.034588   0.043667   0.022988
+    0SOL     H3    3   0.070408   0.103282   0.114316
+    1SOL     O4    4  -0.005349  -0.118216  -0.051223
+    1SOL     H5    5  -0.015953  -0.209324  -0.078592
+    1SOL     H6    6   0.065103  -0.084567  -0.106600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104964   0.069470   0.032700
+    0SOL     H2    2  -0.069641   0.151608   0.066876
+    0SOL     H3    3  -0.150801   0.030285   0.107036
+    1SOL     O4    4   0.102954  -0.076659  -0.043132
+    1SOL     H5    5   0.050600  -0.018419   0.011909
+    1SOL     H6    6   0.193654  -0.054334  -0.022217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122092   0.043669  -0.041158
+    0SOL     H2    2  -0.151046   0.132135  -0.018846
+    0SOL     H3    3  -0.031924   0.039190  -0.009347
+    1SOL     O4    4   0.114343  -0.042441   0.037275
+    1SOL     H5    5   0.200691  -0.053346  -0.002567
+    1SOL     H6    6   0.104375  -0.118737   0.094213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067418  -0.042459  -0.099642
+    0SOL     H2    2   0.095728   0.012629  -0.172623
+    0SOL     H3    3   0.038576  -0.123906  -0.140834
+    1SOL     O4    4  -0.070555   0.039508   0.110284
+    1SOL     H5    5  -0.058187   0.132260   0.130440
+    1SOL     H6    6  -0.026619   0.027167   0.026143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074039  -0.102990   0.037549
+    0SOL     H2    2   0.038390  -0.189704   0.056843
+    0SOL     H3    3   0.098029  -0.106960  -0.055031
+    1SOL     O4    4  -0.079876   0.109316  -0.035095
+    1SOL     H5    5  -0.000997   0.156437  -0.061932
+    1SOL     H6    6  -0.048282   0.042016   0.025194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118426   0.025798   0.058809
+    0SOL     H2    2   0.136135   0.002061   0.149833
+    0SOL     H3    3   0.047465   0.089822   0.064073
+    1SOL     O4    4  -0.118942  -0.025903  -0.069727
+    1SOL     H5    5  -0.024827  -0.043065  -0.066558
+    1SOL     H6    6  -0.150945  -0.051582   0.016752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098795   0.086574  -0.011547
+    0SOL     H2    2  -0.136243   0.114087  -0.095231
+    0SOL     H3    3  -0.042060   0.159175   0.014384
+    1SOL     O4    4   0.103150  -0.091814   0.010458
+    1SOL     H5    5   0.086930  -0.160178   0.075463
+    1SOL     H6    6   0.028043  -0.032987   0.018247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045717   0.102171   0.064039
+    0SOL     H2    2   0.050337   0.195780   0.083492
+    0SOL     H3    3   0.135860   0.071290   0.073147
+    1SOL     O4    4  -0.050469  -0.111579  -0.061707
+    1SOL     H5    5  -0.045761  -0.020444  -0.032816
+    1SOL     H6    6  -0.067831  -0.106098  -0.155679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087032  -0.090983  -0.040555
+    0SOL     H2    2  -0.109470  -0.183231  -0.052770
+    0SOL     H3    3  -0.101106  -0.075015   0.052769
+    1SOL     O4    4   0.088752   0.100684   0.039142
+    1SOL     H5    5   0.018230   0.050735  -0.002016
+    1SOL     H6    6   0.168507   0.053001   0.016168
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060609  -0.128096  -0.008100
+    0SOL     H2    2   0.111874  -0.074306  -0.068440
+    0SOL     H3    3   0.017019  -0.065001   0.049183
+    1SOL     O4    4  -0.055233   0.123656   0.005544
+    1SOL     H5    5  -0.075441   0.111848   0.098359
+    1SOL     H6    6  -0.133198   0.092157  -0.040188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070716  -0.096171  -0.055457
+    0SOL     H2    2  -0.139881  -0.158500  -0.033242
+    0SOL     H3    3  -0.100786  -0.054782  -0.136359
+    1SOL     O4    4   0.081994   0.098120   0.060134
+    1SOL     H5    5   0.034623   0.025209   0.020107
+    1SOL     H6    6   0.016266   0.167033   0.069785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051605   0.035669   0.117374
+    0SOL     H2    2   0.145560   0.035061   0.099086
+    0SOL     H3    3   0.042461  -0.015565   0.197710
+    1SOL     O4    4  -0.062326  -0.036005  -0.122539
+    1SOL     H5    5   0.017682  -0.033617  -0.175031
+    1SOL     H6    6  -0.039725   0.010866  -0.042198
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010356  -0.081875   0.113594
+    0SOL     H2    2  -0.020924  -0.030922   0.033254
+    0SOL     H3    3  -0.098262  -0.085780   0.151273
+    1SOL     O4    4   0.012430   0.078762  -0.106122
+    1SOL     H5    5  -0.000466   0.038547  -0.192022
+    1SOL     H6    6   0.096884   0.123301  -0.112910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066572  -0.122557   0.014034
+    0SOL     H2    2   0.037396  -0.032580   0.028700
+    0SOL     H3    3   0.130153  -0.138828   0.083713
+    1SOL     O4    4  -0.063909   0.115882  -0.013794
+    1SOL     H5    5  -0.150407   0.083787  -0.039293
+    1SOL     H6    6  -0.048821   0.191672  -0.070279
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080562   0.075837   0.072747
+    0SOL     H2    2   0.165642   0.060768   0.031557
+    0SOL     H3    3   0.101658   0.111274   0.159127
+    1SOL     O4    4  -0.086023  -0.083238  -0.077332
+    1SOL     H5    5  -0.132128  -0.011571  -0.120927
+    1SOL     H6    6  -0.045823  -0.042694  -0.000504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123307   0.051958  -0.054981
+    0SOL     H2    2  -0.031090   0.047394  -0.029734
+    0SOL     H3    3  -0.171254   0.039982   0.026995
+    1SOL     O4    4   0.117250  -0.049932   0.043248
+    1SOL     H5    5   0.087669  -0.078006   0.129845
+    1SOL     H6    6   0.212024  -0.040024   0.052307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061279  -0.117899   0.031296
+    0SOL     H2    2  -0.039174  -0.115599   0.124400
+    0SOL     H3    3  -0.155855  -0.132535   0.029439
+    1SOL     O4    4   0.066596   0.125155  -0.040023
+    1SOL     H5    5  -0.010314   0.068198  -0.038255
+    1SOL     H6    6   0.132259   0.078422   0.011616
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031240   0.069385   0.118572
+    0SOL     H2    2   0.016486   0.156495   0.155403
+    0SOL     H3    3   0.041180   0.084444   0.024568
+    1SOL     O4    4  -0.031268  -0.070303  -0.120243
+    1SOL     H5    5  -0.042704  -0.164764  -0.130673
+    1SOL     H6    6  -0.014747  -0.058312  -0.026725
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097555   0.063940   0.076231
+    0SOL     H2    2  -0.176188   0.009490   0.080031
+    0SOL     H3    3  -0.116573   0.128867   0.008518
+    1SOL     O4    4   0.105055  -0.070517  -0.070428
+    1SOL     H5    5   0.016000  -0.036499  -0.061812
+    1SOL     H6    6   0.152643  -0.001693  -0.116915
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002079  -0.079926   0.122724
+    0SOL     H2    2  -0.017981  -0.035050   0.039684
+    0SOL     H3    3  -0.027370  -0.016300   0.189615
+    1SOL     O4    4   0.006123   0.071115  -0.116313
+    1SOL     H5    5  -0.061972   0.137525  -0.127043
+    1SOL     H6    6   0.039489   0.056437  -0.204821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055890  -0.125653   0.049347
+    0SOL     H2    2  -0.004555  -0.157298   0.116484
+    0SOL     H3    3   0.025485  -0.037086   0.029503
+    1SOL     O4    4  -0.050042   0.120367  -0.045151
+    1SOL     H5    5   0.005213   0.181099  -0.094354
+    1SOL     H6    6  -0.116496   0.092103  -0.107979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086203   0.046202  -0.110312
+    0SOL     H2    2  -0.038405   0.022759  -0.030763
+    0SOL     H3    3  -0.166596   0.087455  -0.078727
+    1SOL     O4    4   0.081846  -0.046358   0.102499
+    1SOL     H5    5   0.131981  -0.009914   0.175442
+    1SOL     H6    6   0.145773  -0.096963   0.052351
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068251   0.131687  -0.001463
+    0SOL     H2    2  -0.010790   0.055140  -0.002530
+    0SOL     H3    3  -0.084785   0.150572  -0.093834
+    1SOL     O4    4   0.065296  -0.121446   0.005810
+    1SOL     H5    5   0.039482  -0.161009   0.089061
+    1SOL     H6    6   0.097025  -0.194834  -0.046820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120712  -0.092369   0.002898
+    0SOL     H2    2  -0.108303  -0.019855  -0.058339
+    0SOL     H3    3  -0.055573  -0.077341   0.071406
+    1SOL     O4    4   0.117117   0.082431   0.001775
+    1SOL     H5    5   0.090492   0.174127   0.008496
+    1SOL     H6    6   0.124199   0.066333  -0.092316
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118632   0.067465  -0.063755
+    0SOL     H2    2   0.175310   0.036549   0.006914
+    0SOL     H3    3   0.030354   0.064181  -0.026896
+    1SOL     O4    4  -0.112683  -0.062678   0.056684
+    1SOL     H5    5  -0.202895  -0.031507   0.063922
+    1SOL     H6    6  -0.114857  -0.151139   0.093186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046453  -0.028024   0.130705
+    0SOL     H2    2  -0.077497   0.013707   0.211061
+    0SOL     H3    3  -0.103311  -0.104242   0.119733
+    1SOL     O4    4   0.046105   0.029227  -0.138152
+    1SOL     H5    5   0.125745   0.075639  -0.163950
+    1SOL     H6    6   0.065300  -0.004586  -0.050684
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125357  -0.073124  -0.040282
+    0SOL     H2    2  -0.175578  -0.110089   0.032338
+    0SOL     H3    3  -0.043201  -0.044367  -0.000460
+    1SOL     O4    4   0.119322   0.073178   0.038517
+    1SOL     H5    5   0.189860   0.012148   0.017022
+    1SOL     H6    6   0.125910   0.141816  -0.027873
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088037  -0.016451   0.120759
+    0SOL     H2    2   0.116029  -0.106038   0.139544
+    0SOL     H3    3   0.039555  -0.023206   0.038503
+    1SOL     O4    4  -0.080882   0.020273  -0.114470
+    1SOL     H5    5  -0.105836  -0.000034  -0.204621
+    1SOL     H6    6  -0.157080   0.065324  -0.078046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050898  -0.055441   0.128941
+    0SOL     H2    2  -0.006708   0.012424   0.164130
+    0SOL     H3    3   0.131680  -0.009172   0.106671
+    1SOL     O4    4  -0.053213   0.048584  -0.135824
+    1SOL     H5    5  -0.073335   0.118621  -0.073759
+    1SOL     H6    6  -0.016254  -0.021357  -0.081929
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055690  -0.093094   0.097549
+    0SOL     H2    2  -0.142031  -0.052458   0.090044
+    0SOL     H3    3  -0.027276  -0.072792   0.186672
+    1SOL     O4    4   0.062942   0.086225  -0.107321
+    1SOL     H5    5   0.065967   0.179187  -0.084713
+    1SOL     H6    6  -0.006604   0.050368  -0.052185
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018109   0.101652   0.108163
+    0SOL     H2    2  -0.032613   0.040273   0.180167
+    0SOL     H3    3  -0.093735   0.160261   0.110987
+    1SOL     O4    4   0.021506  -0.107375  -0.115239
+    1SOL     H5    5   0.032552  -0.096384  -0.020796
+    1SOL     H6    6   0.035838  -0.019921  -0.151416
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.143165  -0.022923  -0.049582
+    0SOL     H2    2   0.166916   0.046570   0.011810
+    0SOL     H3    3   0.143004   0.019763  -0.135257
+    1SOL     O4    4  -0.149339   0.012429   0.054757
+    1SOL     H5    5  -0.146489   0.107152   0.041273
+    1SOL     H6    6  -0.073010  -0.020840   0.007540
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104689  -0.120667  -0.009511
+    0SOL     H2    2  -0.049386  -0.187925  -0.049265
+    0SOL     H3    3  -0.045022  -0.047963   0.008272
+    1SOL     O4    4   0.094319   0.115393   0.010582
+    1SOL     H5    5   0.175624   0.130942   0.058646
+    1SOL     H6    6   0.073480   0.199880  -0.029292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099843  -0.069751  -0.089407
+    0SOL     H2    2   0.195031  -0.066944  -0.079733
+    0SOL     H3    3   0.085179  -0.065242  -0.183890
+    1SOL     O4    4  -0.104567   0.072394   0.099839
+    1SOL     H5    5  -0.034436   0.019295   0.062098
+    1SOL     H6    6  -0.174566   0.069565   0.034613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.136541   0.025119   0.068443
+    0SOL     H2    2   0.124694  -0.025021   0.149115
+    0SOL     H3    3   0.158748   0.113382   0.098087
+    1SOL     O4    4  -0.140187  -0.024531  -0.079002
+    1SOL     H5    5  -0.051468  -0.059922  -0.085232
+    1SOL     H6    6  -0.167357  -0.043540   0.010791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077459   0.129757  -0.043100
+    0SOL     H2    2  -0.024501   0.157681   0.031587
+    0SOL     H3    3  -0.159422   0.178336  -0.033902
+    1SOL     O4    4   0.077397  -0.140927   0.039300
+    1SOL     H5    5   0.081329  -0.074198   0.107813
+    1SOL     H6    6   0.103063  -0.094852  -0.040579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073495  -0.094839  -0.113324
+    0SOL     H2    2   0.012274  -0.045117  -0.059084
+    0SOL     H3    3   0.080310  -0.179918  -0.069994
+    1SOL     O4    4  -0.071135   0.091234   0.103977
+    1SOL     H5    5  -0.125285   0.126153   0.174764
+    1SOL     H6    6  -0.000532   0.155098   0.094030
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038788   0.135299  -0.087237
+    0SOL     H2    2  -0.003059   0.142668  -0.173009
+    0SOL     H3    3   0.029015   0.043056  -0.063611
+    1SOL     O4    4  -0.033569  -0.125370   0.092980
+    1SOL     H5    5  -0.121941  -0.140338   0.059383
+    1SOL     H6    6   0.010520  -0.209740   0.082974
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077365  -0.004249  -0.146781
+    0SOL     H2    2  -0.022134  -0.044347  -0.213892
+    0SOL     H3    3  -0.017441   0.014784  -0.074606
+    1SOL     O4    4   0.070977   0.010341   0.142261
+    1SOL     H5    5   0.058902   0.015530   0.237074
+    1SOL     H6    6   0.080296  -0.083224   0.124341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000529  -0.107197   0.115751
+    0SOL     H2    2  -0.069198  -0.094740   0.180134
+    0SOL     H3    3   0.031803  -0.196337   0.131188
+    1SOL     O4    4   0.003571   0.117466  -0.117689
+    1SOL     H5    5   0.009611   0.028559  -0.082740
+    1SOL     H6    6  -0.029985   0.106069  -0.206607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.166138  -0.001357  -0.028177
+    0SOL     H2    2   0.125072   0.045248  -0.101005
+    0SOL     H3    3   0.174819  -0.091490  -0.059208
+    1SOL     O4    4  -0.171227   0.002269   0.036011
+    1SOL     H5    5  -0.118268   0.078072   0.060740
+    1SOL     H6    6  -0.114491  -0.048846  -0.021701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066898  -0.151753  -0.037472
+    0SOL     H2    2  -0.047399  -0.199500  -0.118109
+    0SOL     H3    3  -0.011820  -0.193254   0.028908
+    1SOL     O4    4   0.058320   0.155157   0.034738
+    1SOL     H5    5   0.072301   0.143531   0.128715
+    1SOL     H6    6   0.139917   0.193797   0.002936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097603   0.125956  -0.074248
+    0SOL     H2    2  -0.079684   0.150347  -0.165057
+    0SOL     H3    3  -0.030518   0.171587  -0.023457
+    1SOL     O4    4   0.096492  -0.135802   0.077158
+    1SOL     H5    5   0.125299  -0.044559   0.074479
+    1SOL     H6    6   0.000973  -0.130934   0.073323
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122142  -0.098717  -0.090947
+    0SOL     H2    2   0.054532  -0.126065  -0.028954
+    0SOL     H3    3   0.201497  -0.143109  -0.061040
+    1SOL     O4    4  -0.119722   0.108024   0.086531
+    1SOL     H5    5  -0.181634   0.086797   0.016683
+    1SOL     H6    6  -0.114211   0.028050   0.138839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079411  -0.024174   0.155364
+    0SOL     H2    2  -0.151833  -0.080925   0.181759
+    0SOL     H3    3  -0.021891  -0.021537   0.231829
+    1SOL     O4    4   0.086223   0.027384  -0.162683
+    1SOL     H5    5   0.020731  -0.037095  -0.189437
+    1SOL     H6    6   0.038117   0.088909  -0.107340
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042998   0.178604  -0.031639
+    0SOL     H2    2   0.106691   0.152200   0.034755
+    0SOL     H3    3  -0.042134   0.163739   0.009519
+    1SOL     O4    4  -0.040185  -0.170243   0.028228
+    1SOL     H5    5   0.003563  -0.220751  -0.040309
+    1SOL     H6    6  -0.113431  -0.225424   0.055657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125469   0.142377   0.009059
+    0SOL     H2    2   0.053717   0.089662   0.044203
+    0SOL     H3    3   0.145546   0.102254  -0.075496
+    1SOL     O4    4  -0.125120  -0.137382  -0.001058
+    1SOL     H5    5  -0.077390  -0.209629  -0.041856
+    1SOL     H6    6  -0.125368  -0.068322  -0.067339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079482   0.158563   0.079005
+    0SOL     H2    2   0.014422   0.145350   0.065976
+    0SOL     H3    3  -0.117949   0.144325  -0.007481
+    1SOL     O4    4   0.081767  -0.153410  -0.075258
+    1SOL     H5    5  -0.006388  -0.148661  -0.112249
+    1SOL     H6    6   0.076861  -0.223721  -0.010492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031719  -0.007600  -0.185572
+    0SOL     H2    2  -0.035653  -0.098746  -0.156602
+    0SOL     H3    3  -0.002069  -0.012561  -0.276449
+    1SOL     O4    4   0.033708   0.016519   0.193742
+    1SOL     H5    5   0.065653  -0.023027   0.112638
+    1SOL     H6    6  -0.060168  -0.002173   0.194205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002405   0.080768  -0.177606
+    0SOL     H2    2   0.009052   0.175692  -0.182132
+    0SOL     H3    3  -0.013200   0.062320  -0.084303
+    1SOL     O4    4   0.002676  -0.081601   0.166336
+    1SOL     H5    5   0.064075  -0.146621   0.200466
+    1SOL     H6    6  -0.067732  -0.078752   0.231119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000571  -0.195365   0.013677
+    0SOL     H2    2  -0.023459  -0.109606  -0.022154
+    0SOL     H3    3  -0.028455  -0.257641  -0.053453
+    1SOL     O4    4   0.003299   0.195216  -0.014916
+    1SOL     H5    5  -0.033942   0.119757   0.030706
+    1SOL     H6    6   0.038247   0.250612   0.054885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077136   0.167258   0.085033
+    0SOL     H2    2   0.164646   0.139403   0.058044
+    0SOL     H3    3   0.020848   0.144630   0.010993
+    1SOL     O4    4  -0.075080  -0.158548  -0.081412
+    1SOL     H5    5  -0.083757  -0.191899   0.007890
+    1SOL     H6    6  -0.126239  -0.219328  -0.134805
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139627  -0.120590  -0.091491
+    0SOL     H2    2  -0.217983  -0.086584  -0.048289
+    0SOL     H3    3  -0.076812  -0.133648  -0.020455
+    1SOL     O4    4   0.134174   0.116807   0.087709
+    1SOL     H5    5   0.216042   0.131889   0.134958
+    1SOL     H6    6   0.152284   0.146039  -0.001621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031011   0.203170  -0.016731
+    0SOL     H2    2   0.058446   0.224508   0.009808
+    0SOL     H3    3  -0.073956   0.175065   0.064066
+    1SOL     O4    4   0.031409  -0.196859   0.009470
+    1SOL     H5    5   0.033524  -0.263983   0.077677
+    1SOL     H6    6  -0.028448  -0.231675  -0.056615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.196729  -0.055527   0.072856
+    0SOL     H2    2  -0.170888   0.035241   0.056864
+    0SOL     H3    3  -0.114668  -0.104717   0.069904
+    1SOL     O4    4   0.188886   0.052706  -0.065976
+    1SOL     H5    5   0.138233   0.017624  -0.139228
+    1SOL     H6    6   0.263503   0.096328  -0.107106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038512   0.089667   0.183897
+    0SOL     H2    2   0.018350   0.153115   0.115120
+    0SOL     H3    3   0.069544   0.142802   0.257218
+    1SOL     O4    4  -0.036431  -0.090366  -0.186894
+    1SOL     H5    5  -0.130374  -0.106960  -0.179043
+    1SOL     H6    6   0.004861  -0.165838  -0.144926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116418  -0.026276   0.172350
+    0SOL     H2    2   0.201781  -0.068746   0.163877
+    0SOL     H3    3   0.133811   0.066235   0.154983
+    1SOL     O4    4  -0.124562   0.028542  -0.165995
+    1SOL     H5    5  -0.121380  -0.066397  -0.154215
+    1SOL     H6    6  -0.091705   0.042825  -0.254757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103137   0.065370   0.178046
+    0SOL     H2    2  -0.044945   0.140089   0.164149
+    0SOL     H3    3  -0.051625   0.004317   0.230784
+    1SOL     O4    4   0.099002  -0.062358  -0.176845
+    1SOL     H5    5   0.015018  -0.104249  -0.158025
+    1SOL     H6    6   0.128540  -0.103281  -0.258179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036693   0.150833   0.142094
+    0SOL     H2    2  -0.025818   0.239678   0.176015
+    0SOL     H3    3  -0.086998   0.105346   0.209642
+    1SOL     O4    4   0.043099  -0.156281  -0.143246
+    1SOL     H5    5   0.033990  -0.062231  -0.158542
+    1SOL     H6    6  -0.013802  -0.196854  -0.208656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033672   0.088975  -0.199666
+    0SOL     H2    2  -0.113839   0.101648  -0.148923
+    0SOL     H3    3   0.018168   0.167629  -0.182682
+    1SOL     O4    4   0.030259  -0.098111   0.197113
+    1SOL     H5    5   0.104671  -0.118955   0.140628
+    1SOL     H6    6   0.047575  -0.009093   0.227744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021194   0.207306   0.095603
+    0SOL     H2    2  -0.067443   0.237794   0.076207
+    0SOL     H3    3   0.057957   0.184513   0.010214
+    1SOL     O4    4  -0.018385  -0.212388  -0.094823
+    1SOL     H5    5   0.049472  -0.149840  -0.069415
+    1SOL     H6    6  -0.090372  -0.195738  -0.033971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091884   0.169543  -0.113689
+    0SOL     H2    2  -0.128087   0.225548  -0.045022
+    0SOL     H3    3  -0.084670   0.226811  -0.190047
+    1SOL     O4    4   0.091337  -0.180630   0.116508
+    1SOL     H5    5   0.069208  -0.088501   0.130108
+    1SOL     H6    6   0.159472  -0.179275   0.049292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001678   0.218612   0.096644
+    0SOL     H2    2  -0.047245   0.221505   0.012515
+    0SOL     H3    3   0.087308   0.247734   0.076753
+    1SOL     O4    4   0.004514  -0.216783  -0.093285
+    1SOL     H5    5  -0.063297  -0.194146  -0.029633
+    1SOL     H6    6  -0.020107  -0.303800  -0.124657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.173566   0.154199  -0.072444
+    0SOL     H2    2   0.200738   0.234290  -0.027616
+    0SOL     H3    3   0.189563   0.084486  -0.008832
+    1SOL     O4    4  -0.172411  -0.154745   0.061771
+    1SOL     H5    5  -0.196300  -0.231186   0.114195
+    1SOL     H6    6  -0.213191  -0.080912   0.107027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034235   0.209294  -0.115697
+    0SOL     H2    2  -0.010364   0.252773  -0.188380
+    0SOL     H3    3   0.125250   0.201855  -0.144389
+    1SOL     O4    4  -0.035617  -0.215470   0.116559
+    1SOL     H5    5  -0.065237  -0.124696   0.109850
+    1SOL     H6    6  -0.027199  -0.231078   0.210623
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109569  -0.072355  -0.208560
+    0SOL     H2    2   0.153565  -0.093457  -0.126211
+    0SOL     H3    3   0.171245  -0.015676  -0.254883
+    1SOL     O4    4  -0.109105   0.069735   0.204211
+    1SOL     H5    5  -0.180993   0.123929   0.171692
+    1SOL     H6    6  -0.144212   0.027971   0.282859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077858   0.152501   0.185532
+    0SOL     H2    2   0.132892   0.087489   0.141862
+    0SOL     H3    3   0.004849   0.101993   0.221320
+    1SOL     O4    4  -0.075604  -0.149936  -0.190310
+    1SOL     H5    5  -0.149575  -0.090984  -0.175637
+    1SOL     H6    6  -0.019280  -0.137231  -0.113966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.131526  -0.138651  -0.161971
+    0SOL     H2    2  -0.062464  -0.179985  -0.213781
+    0SOL     H3    3  -0.171135  -0.210697  -0.112953
+    1SOL     O4    4   0.130944   0.139305   0.159333
+    1SOL     H5    5   0.143310   0.226868   0.122697
+    1SOL     H6    6   0.095063   0.154703   0.246727
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028076   0.092039  -0.236004
+    0SOL     H2    2  -0.103849   0.104145  -0.293225
+    0SOL     H3    3  -0.062907   0.102685  -0.147484
+    1SOL     O4    4   0.034859  -0.088621   0.237717
+    1SOL     H5    5   0.095398  -0.162627   0.233186
+    1SOL     H6    6  -0.031413  -0.107729   0.171345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.217794   0.051777  -0.141862
+    0SOL     H2    2  -0.127696   0.070752  -0.168026
+    0SOL     H3    3  -0.259961   0.137574  -0.137047
+    1SOL     O4    4   0.217549  -0.054325   0.147241
+    1SOL     H5    5   0.158218  -0.030945   0.075858
+    1SOL     H6    6   0.227515  -0.149253   0.140047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075234   0.199371  -0.175965
+    0SOL     H2    2   0.093282   0.255439  -0.100513
+    0SOL     H3    3   0.023903   0.254458  -0.235066
+    1SOL     O4    4  -0.077699  -0.202535   0.170154
+    1SOL     H5    5   0.000578  -0.159830   0.204957
+    1SOL     H6    6  -0.085275  -0.283540   0.220583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031064  -0.173942  -0.243424
+    0SOL     H2    2   0.032380  -0.082585  -0.214885
+    0SOL     H3    3   0.042999  -0.169621  -0.338299
+    1SOL     O4    4  -0.030033   0.169663   0.241167
+    1SOL     H5    5  -0.114758   0.137592   0.272075
+    1SOL     H6    6   0.021315   0.182502   0.320923
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041066  -0.275168  -0.158164
+    0SOL     H2    2  -0.036839  -0.328547  -0.142553
+    0SOL     H3    3   0.077603  -0.259969  -0.071006
+    1SOL     O4    4  -0.039116   0.270134   0.153135
+    1SOL     H5    5  -0.100877   0.338999   0.177742
+    1SOL     H6    6   0.031957   0.316385   0.108730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004723  -0.344950   0.003615
+    0SOL     H2    2  -0.090918  -0.344471   0.007459
+    0SOL     H3    3   0.025081  -0.379981  -0.083106
+    1SOL     O4    4  -0.000575   0.351002   0.005683
+    1SOL     H5    5   0.026444   0.358648  -0.085826
+    1SOL     H6    6  -0.031225   0.260722   0.014193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097083  -0.089334   0.321540
+    0SOL     H2    2   0.153924  -0.016612   0.296184
+    0SOL     H3    3   0.093543  -0.084841   0.417089
+    1SOL     O4    4  -0.096020   0.083135  -0.321324
+    1SOL     H5    5  -0.093660   0.151735  -0.388038
+    1SOL     H6    6  -0.179906   0.039138  -0.335099
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023160  -0.396349   0.181784
+    0SOL     H2    2  -0.032638  -0.432172   0.112751
+    0SOL     H3    3   0.106283  -0.442789   0.171973
+    1SOL     O4    4  -0.025533   0.403383  -0.170164
+    1SOL     H5    5   0.054666   0.377477  -0.215545
+    1SOL     H6    6  -0.093930   0.397101  -0.236832
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.309198  -0.270368   0.278299
+    0SOL     H2    2  -0.242955  -0.243862   0.214491
+    0SOL     H3    3  -0.307452  -0.201476   0.344730
+    1SOL     O4    4   0.301369   0.263531  -0.274221
+    1SOL     H5    5   0.360914   0.206438  -0.322772
+    1SOL     H6    6   0.320233   0.351418  -0.307120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.282685  -0.180169  -0.394725
+    0SOL     H2    2  -0.255198  -0.190285  -0.303596
+    0SOL     H3    3  -0.210691  -0.132807  -0.436391
+    1SOL     O4    4   0.281606   0.180470   0.387537
+    1SOL     H5    5   0.194364   0.146471   0.367659
+    1SOL     H6    6   0.289378   0.172507   0.482608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.475617   0.102239  -0.205250
+    0SOL     H2    2  -0.504854   0.093803  -0.114496
+    0SOL     H3    3  -0.435125   0.188871  -0.209464
+    1SOL     O4    4   0.470822  -0.112044   0.199165
+    1SOL     H5    5   0.449122  -0.019155   0.191219
+    1SOL     H6    6   0.562262  -0.112993   0.227454
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.323337  -0.379603  -0.701422
+    0SOL     H2    2  -0.288483  -0.366307  -0.789574
+    0SOL     H3    3  -0.263597  -0.331168  -0.644436
+    1SOL     O4    4   0.322479   0.380542   0.702305
+    1SOL     H5    5   0.238364   0.388978   0.747202
+    1SOL     H6    6   0.323282   0.290607   0.669543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.843467   0.257505   0.295011
+    0SOL     H2    2   0.844003   0.333404   0.236690
+    0SOL     H3    3   0.753076   0.226097   0.292696
+    1SOL     O4    4  -0.840710  -0.253024  -0.292728
+    1SOL     H5    5  -0.894871  -0.330845  -0.305876
+    1SOL     H6    6  -0.754418  -0.287454  -0.269695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.659395  -0.738870  -0.234141
+    0SOL     H2    2  -0.729425  -0.689736  -0.277083
+    0SOL     H3    3  -0.584199  -0.679659  -0.235527
+    1SOL     O4    4   0.656803   0.735561   0.242196
+    1SOL     H5    5   0.708483   0.655341   0.234703
+    1SOL     H6    6   0.648465   0.767227   0.152251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057551  -0.017849   0.116396
+    0SOL     H2    2  -0.006048  -0.026432   0.196621
+    0SOL     H3    3   0.004346   0.015870   0.051633
+    1SOL     O4    4   0.054384   0.015241  -0.112002
+    1SOL     H5    5  -0.033686  -0.013742  -0.135794
+    1SOL     H6    6   0.083794   0.066785  -0.187106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042421  -0.059086  -0.100254
+    0SOL     H2    2  -0.114937  -0.023281  -0.151457
+    0SOL     H3    3  -0.041450  -0.152309  -0.121955
+    1SOL     O4    4   0.042577   0.067619   0.105017
+    1SOL     H5    5   0.030076  -0.006707   0.046011
+    1SOL     H6    6   0.122944   0.047086   0.152785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093485   0.101013  -0.012309
+    0SOL     H2    2  -0.003202   0.082539  -0.038194
+    0SOL     H3    3  -0.135141   0.014970  -0.007443
+    1SOL     O4    4   0.087386  -0.096804   0.008347
+    1SOL     H5    5   0.050175  -0.078238   0.094562
+    1SOL     H6    6   0.180410  -0.076148   0.017404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028721  -0.048122   0.114599
+    0SOL     H2    2   0.120291  -0.040561   0.141435
+    0SOL     H3    3   0.009153  -0.141521   0.122084
+    1SOL     O4    4  -0.027541   0.055315  -0.120554
+    1SOL     H5    5  -0.120287   0.048137  -0.143116
+    1SOL     H6    6  -0.022244   0.023560  -0.030410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054901   0.046678   0.103311
+    0SOL     H2    2  -0.040167  -0.015956   0.174179
+    0SOL     H3    3  -0.096165   0.121823   0.145889
+    1SOL     O4    4   0.053030  -0.050961  -0.113962
+    1SOL     H5    5   0.024895  -0.006476  -0.034013
+    1SOL     H6    6   0.145504  -0.027939  -0.122961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001348  -0.115400   0.063372
+    0SOL     H2    2   0.077810  -0.131440   0.008068
+    0SOL     H3    3  -0.067123  -0.171150   0.026412
+    1SOL     O4    4   0.001480   0.123212  -0.062867
+    1SOL     H5    5  -0.012623   0.152361   0.027209
+    1SOL     H6    6  -0.039458   0.036778  -0.066809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061068  -0.026281   0.113867
+    0SOL     H2    2   0.015027  -0.109993   0.119760
+    0SOL     H3    3   0.028330   0.024397   0.188179
+    1SOL     O4    4  -0.053806   0.029035  -0.125758
+    1SOL     H5    5  -0.144246   0.019605  -0.095859
+    1SOL     H6    6  -0.001381   0.023072  -0.045893
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034672   0.121338   0.037392
+    0SOL     H2    2  -0.036245   0.181096   0.013685
+    0SOL     H3    3   0.029785   0.114937   0.132773
+    1SOL     O4    4  -0.036266  -0.125122  -0.042779
+    1SOL     H5    5   0.008299  -0.051400  -0.001051
+    1SOL     H6    6   0.034346  -0.184401  -0.068514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055895  -0.084807   0.086687
+    0SOL     H2    2  -0.095342   0.000564   0.104518
+    0SOL     H3    3  -0.130425  -0.143851   0.075671
+    1SOL     O4    4   0.068140   0.085481  -0.090140
+    1SOL     H5    5   0.059889   0.006573  -0.036588
+    1SOL     H6    6  -0.019309   0.124391  -0.089176
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099194  -0.022523  -0.087860
+    0SOL     H2    2  -0.162381  -0.007371  -0.017574
+    0SOL     H3    3  -0.106775   0.054637  -0.143994
+    1SOL     O4    4   0.106485   0.022602   0.083990
+    1SOL     H5    5   0.116657  -0.013146   0.172200
+    1SOL     H6    6   0.038128  -0.031185   0.044033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045769  -0.095574  -0.083705
+    0SOL     H2    2   0.140693  -0.084653  -0.089417
+    0SOL     H3    3   0.032698  -0.152728  -0.008042
+    1SOL     O4    4  -0.057300   0.100641   0.082023
+    1SOL     H5    5   0.022304   0.152387   0.069859
+    1SOL     H6    6  -0.035422   0.014332   0.046887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067137   0.122778  -0.014295
+    0SOL     H2    2  -0.000484   0.054144  -0.017323
+    0SOL     H3    3  -0.066498   0.160744  -0.102162
+    1SOL     O4    4   0.060643  -0.119347   0.014086
+    1SOL     H5    5   0.017181  -0.145902   0.095130
+    1SOL     H6    6   0.154095  -0.124862   0.034050
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071622   0.124637   0.009285
+    0SOL     H2    2  -0.007853   0.150114   0.075969
+    0SOL     H3    3  -0.030442   0.051393  -0.036561
+    1SOL     O4    4   0.063645  -0.115555  -0.011093
+    1SOL     H5    5   0.140512  -0.146246   0.036989
+    1SOL     H6    6   0.022420  -0.195446  -0.043959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066639   0.091929  -0.074771
+    0SOL     H2    2   0.156413   0.097817  -0.042086
+    0SOL     H3    3   0.075310   0.053259  -0.161902
+    1SOL     O4    4  -0.073430  -0.085129   0.082532
+    1SOL     H5    5  -0.104711  -0.175387   0.076421
+    1SOL     H6    6  -0.013884  -0.075284   0.008238
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104065   0.089618   0.032869
+    0SOL     H2    2  -0.042645   0.034772  -0.015936
+    0SOL     H3    3  -0.171393   0.112971  -0.031037
+    1SOL     O4    4   0.104353  -0.081941  -0.029184
+    1SOL     H5    5   0.118740  -0.163463  -0.077240
+    1SOL     H6    6   0.095641  -0.109153   0.062172
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055154  -0.041816  -0.115141
+    0SOL     H2    2   0.070453  -0.124806  -0.160318
+    0SOL     H3    3   0.041623   0.021666  -0.185492
+    1SOL     O4    4  -0.061549   0.043900   0.120908
+    1SOL     H5    5  -0.001176   0.085172   0.182666
+    1SOL     H6    6  -0.006811  -0.016185   0.070354
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065762   0.124780  -0.038859
+    0SOL     H2    2  -0.002576   0.057767  -0.037710
+    0SOL     H3    3   0.086963   0.139021   0.053391
+    1SOL     O4    4  -0.057431  -0.118179   0.031415
+    1SOL     H5    5  -0.086056  -0.204058   0.000305
+    1SOL     H6    6  -0.124269  -0.092107   0.094782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104947  -0.002911  -0.103128
+    0SOL     H2    2   0.161687  -0.002640  -0.026038
+    0SOL     H3    3   0.016622   0.008217  -0.067957
+    1SOL     O4    4  -0.097006   0.002028   0.095452
+    1SOL     H5    5  -0.164472  -0.061977   0.072780
+    1SOL     H6    6  -0.143626   0.069644   0.144614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102953  -0.038208   0.091716
+    0SOL     H2    2  -0.124839   0.054767   0.085465
+    0SOL     H3    3  -0.029541  -0.041510   0.153053
+    1SOL     O4    4   0.099251   0.035987  -0.100045
+    1SOL     H5    5   0.030792  -0.006058  -0.048008
+    1SOL     H6    6   0.180701   0.013921  -0.054864
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130144  -0.038188   0.015911
+    0SOL     H2    2  -0.159906  -0.071973   0.100380
+    0SOL     H3    3  -0.168745  -0.097452  -0.048588
+    1SOL     O4    4   0.139056   0.039569  -0.014690
+    1SOL     H5    5   0.145496   0.130873  -0.042701
+    1SOL     H6    6   0.046579   0.017516  -0.025827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126440  -0.043885   0.031936
+    0SOL     H2    2  -0.139887   0.027562   0.094200
+    0SOL     H3    3  -0.212127  -0.056705  -0.008753
+    1SOL     O4    4   0.135790   0.043744  -0.027714
+    1SOL     H5    5   0.058740  -0.012668  -0.021125
+    1SOL     H6    6   0.155075   0.047181  -0.121409
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016224   0.051897   0.135542
+    0SOL     H2    2   0.089369   0.008597   0.179555
+    0SOL     H3    3   0.019039   0.018548   0.045863
+    1SOL     O4    4  -0.019418  -0.045966  -0.126434
+    1SOL     H5    5  -0.086779  -0.011867  -0.185273
+    1SOL     H6    6   0.029924  -0.108151  -0.179920
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077665   0.066905  -0.093992
+    0SOL     H2    2  -0.011541   0.040324  -0.157894
+    0SOL     H3    3  -0.094560   0.159008  -0.113839
+    1SOL     O4    4   0.079526  -0.074543   0.096164
+    1SOL     H5    5   0.085223  -0.023909   0.177195
+    1SOL     H6    6  -0.007882  -0.055544   0.062088
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060395   0.076919  -0.096748
+    0SOL     H2    2   0.145712   0.096768  -0.135341
+    0SOL     H3    3   0.018365   0.162273  -0.086242
+    1SOL     O4    4  -0.063984  -0.090012   0.101373
+    1SOL     H5    5  -0.111751  -0.007946   0.113452
+    1SOL     H6    6   0.006010  -0.068205   0.039829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061382   0.101051  -0.086733
+    0SOL     H2    2   0.041171   0.021710  -0.037147
+    0SOL     H3    3   0.149934   0.086604  -0.120083
+    1SOL     O4    4  -0.061120  -0.091762   0.080627
+    1SOL     H5    5  -0.091949  -0.059050   0.165136
+    1SOL     H6    6  -0.095810  -0.180814   0.075261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066304  -0.127346  -0.045228
+    0SOL     H2    2  -0.018613  -0.130087  -0.089319
+    0SOL     H3    3   0.068336  -0.041787  -0.002359
+    1SOL     O4    4  -0.056927   0.124832   0.048964
+    1SOL     H5    5  -0.066902   0.131551  -0.045997
+    1SOL     H6    6  -0.128281   0.067315   0.076581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024754   0.138110  -0.054809
+    0SOL     H2    2   0.063253   0.148259  -0.018560
+    0SOL     H3    3  -0.038066   0.043429  -0.059355
+    1SOL     O4    4   0.019337  -0.131304   0.046394
+    1SOL     H5    5  -0.038353  -0.182572   0.103015
+    1SOL     H6    6   0.091947  -0.105494   0.103175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084764   0.114160   0.040879
+    0SOL     H2    2  -0.031260   0.054997  -0.012030
+    0SOL     H3    3  -0.167568   0.120652  -0.006700
+    1SOL     O4    4   0.080310  -0.114869  -0.034041
+    1SOL     H5    5   0.163867  -0.132534   0.009185
+    1SOL     H6    6   0.097465  -0.038497  -0.089135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020998   0.047287   0.144197
+    0SOL     H2    2  -0.067089  -0.014543   0.087496
+    0SOL     H3    3   0.057723   0.070800   0.095080
+    1SOL     O4    4   0.016589  -0.046122  -0.132169
+    1SOL     H5    5  -0.012677   0.013190  -0.201363
+    1SOL     H6    6   0.095087  -0.087709  -0.167820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008041   0.142764  -0.012727
+    0SOL     H2    2  -0.066685   0.197480  -0.036904
+    0SOL     H3    3   0.023456   0.162642   0.079628
+    1SOL     O4    4  -0.010952  -0.149694   0.007889
+    1SOL     H5    5   0.066199  -0.193646   0.043641
+    1SOL     H6    6   0.018868  -0.060818  -0.011455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016256  -0.008532  -0.141811
+    0SOL     H2    2  -0.002621   0.073316  -0.187713
+    0SOL     H3    3   0.096898  -0.040633  -0.182168
+    1SOL     O4    4  -0.020652   0.001585   0.150212
+    1SOL     H5    5  -0.037418   0.001683   0.055972
+    1SOL     H6    6   0.020518   0.086282   0.167352
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124547  -0.060687  -0.061585
+    0SOL     H2    2   0.029866  -0.047244  -0.057448
+    0SOL     H3    3   0.138466  -0.146111  -0.020702
+    1SOL     O4    4  -0.119521   0.059027   0.055476
+    1SOL     H5    5  -0.054171   0.127046   0.071756
+    1SOL     H6    6  -0.194075   0.083795   0.110163
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006654  -0.064539  -0.130388
+    0SOL     H2    2   0.069643  -0.121651  -0.121487
+    0SOL     H3    3  -0.075769  -0.121826  -0.163608
+    1SOL     O4    4   0.007601   0.066822   0.136950
+    1SOL     H5    5  -0.018492   0.028283   0.053307
+    1SOL     H6    6   0.006854   0.161226   0.121150
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070912  -0.091750   0.092842
+    0SOL     H2    2  -0.010784  -0.166224   0.092082
+    0SOL     H3    3  -0.131536  -0.109116   0.020831
+    1SOL     O4    4   0.069973   0.093227  -0.092879
+    1SOL     H5    5   0.020725   0.102393  -0.011313
+    1SOL     H6    6   0.142532   0.155048  -0.084179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061968  -0.115035  -0.066073
+    0SOL     H2    2  -0.059146  -0.141939  -0.157891
+    0SOL     H3    3  -0.150076  -0.079577  -0.054152
+    1SOL     O4    4   0.065527   0.117648   0.076158
+    1SOL     H5    5   0.129254   0.131340   0.006060
+    1SOL     H6    6   0.004448   0.052998   0.040774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124771   0.041144  -0.077760
+    0SOL     H2    2   0.209969   0.049888  -0.035015
+    0SOL     H3    3   0.064959   0.016435  -0.007232
+    1SOL     O4    4  -0.120919  -0.041074   0.075871
+    1SOL     H5    5  -0.120566  -0.056291  -0.018631
+    1SOL     H6    6  -0.210118  -0.012224   0.095200
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011893   0.150091  -0.034790
+    0SOL     H2    2   0.103802   0.166416  -0.055967
+    0SOL     H3    3   0.007703   0.056148  -0.016916
+    1SOL     O4    4  -0.018654  -0.138744   0.033694
+    1SOL     H5    5  -0.047285  -0.218755  -0.010360
+    1SOL     H6    6   0.046827  -0.168294   0.096950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090392  -0.086115   0.075181
+    0SOL     H2    2   0.148716  -0.108732   0.147631
+    0SOL     H3    3   0.142371  -0.102544  -0.003500
+    1SOL     O4    4  -0.097199   0.091559  -0.081294
+    1SOL     H5    5  -0.027127   0.102240  -0.016966
+    1SOL     H6    6  -0.159569   0.032370  -0.039237
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.132830  -0.030073   0.079099
+    0SOL     H2    2   0.046460   0.005652   0.058454
+    0SOL     H3    3   0.152890  -0.088246   0.005778
+    1SOL     O4    4  -0.129683   0.024929  -0.071192
+    1SOL     H5    5  -0.123711   0.109798  -0.027331
+    1SOL     H6    6  -0.128248   0.046009  -0.164550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071141   0.113469  -0.084484
+    0SOL     H2    2  -0.013523   0.069213  -0.078509
+    0SOL     H3    3   0.123341   0.057724  -0.142190
+    1SOL     O4    4  -0.066310  -0.104731   0.081908
+    1SOL     H5    5  -0.112130  -0.066034   0.156510
+    1SOL     H6    6  -0.070700  -0.199093   0.097367
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139657   0.046248  -0.038001
+    0SOL     H2    2   0.127563   0.118558   0.023540
+    0SOL     H3    3   0.173944   0.087629  -0.117212
+    1SOL     O4    4  -0.144718  -0.058068   0.041979
+    1SOL     H5    5  -0.176491   0.017705  -0.007124
+    1SOL     H6    6  -0.049791  -0.046291   0.045512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044300   0.148896   0.017790
+    0SOL     H2    2   0.002596   0.200649   0.083247
+    0SOL     H3    3   0.010898   0.153247  -0.060290
+    1SOL     O4    4   0.032571  -0.154434  -0.017006
+    1SOL     H5    5   0.115162  -0.200790  -0.003141
+    1SOL     H6    6   0.058219  -0.063195  -0.030419
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019770  -0.112010  -0.118540
+    0SOL     H2    2  -0.076195  -0.159875  -0.057816
+    0SOL     H3    3  -0.016467  -0.023105  -0.083221
+    1SOL     O4    4   0.022100   0.113101   0.107758
+    1SOL     H5    5  -0.032285   0.101236   0.185629
+    1SOL     H6    6   0.095814   0.053415   0.120645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065711   0.110299   0.107253
+    0SOL     H2    2  -0.012033   0.070125   0.068470
+    0SOL     H3    3   0.138822   0.074831   0.056666
+    1SOL     O4    4  -0.062945  -0.102833  -0.096161
+    1SOL     H5    5  -0.090750  -0.193932  -0.105661
+    1SOL     H6    6  -0.084202  -0.062359  -0.180258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.151832   0.038804   0.043966
+    0SOL     H2    2  -0.062121   0.016587   0.068879
+    0SOL     H3    3  -0.176578   0.109333   0.103762
+    1SOL     O4    4   0.142686  -0.037531  -0.050735
+    1SOL     H5    5   0.163725  -0.129916  -0.064321
+    1SOL     H6    6   0.215628  -0.003691   0.001194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111794   0.011895   0.118559
+    0SOL     H2    2  -0.095919   0.044754   0.207049
+    0SOL     H3    3  -0.030156   0.028999   0.071602
+    1SOL     O4    4   0.106144  -0.018991  -0.115911
+    1SOL     H5    5   0.134098   0.071970  -0.105568
+    1SOL     H6    6   0.085631  -0.027352  -0.209032
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066838  -0.116921   0.092113
+    0SOL     H2    2   0.016873  -0.196785   0.109070
+    0SOL     H3    3   0.063670  -0.106365  -0.002970
+    1SOL     O4    4  -0.064932   0.119713  -0.081739
+    1SOL     H5    5  -0.125951   0.147939  -0.149873
+    1SOL     H6    6   0.018148   0.107212  -0.127606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148558   0.014250   0.055703
+    0SOL     H2    2   0.232392   0.016293   0.101855
+    0SOL     H3    3   0.127863   0.106282   0.039447
+    1SOL     O4    4  -0.153933  -0.013761  -0.056409
+    1SOL     H5    5  -0.065723  -0.039374  -0.083339
+    1SOL     H6    6  -0.200387  -0.096599  -0.044485
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061617   0.129402   0.089797
+    0SOL     H2    2  -0.066217   0.102712  -0.002012
+    0SOL     H3    3   0.031607   0.125763   0.111205
+    1SOL     O4    4   0.056302  -0.121817  -0.087531
+    1SOL     H5    5  -0.013170  -0.170596  -0.043299
+    1SOL     H6    6   0.128424  -0.184295  -0.095090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090067  -0.103739   0.098837
+    0SOL     H2    2   0.178666  -0.080971   0.070653
+    0SOL     H3    3   0.038172  -0.025435   0.080460
+    1SOL     O4    4  -0.088431   0.097749  -0.090906
+    1SOL     H5    5  -0.059655   0.080728  -0.180597
+    1SOL     H6    6  -0.177813   0.130709  -0.100227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036041  -0.141992  -0.072323
+    0SOL     H2    2  -0.123609  -0.171834  -0.096892
+    0SOL     H3    3  -0.017521  -0.187153   0.010017
+    1SOL     O4    4   0.040682   0.148501   0.074915
+    1SOL     H5    5   0.113500   0.110236   0.025969
+    1SOL     H6    6  -0.033555   0.144372   0.014631
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069699  -0.161975  -0.063814
+    0SOL     H2    2   0.060640  -0.199756   0.023666
+    0SOL     H3    3   0.015314  -0.083234  -0.061698
+    1SOL     O4    4  -0.068092   0.155316   0.054224
+    1SOL     H5    5   0.020177   0.178784   0.082863
+    1SOL     H6    6  -0.125953   0.209096   0.108281
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.183370  -0.080800   0.000342
+    0SOL     H2    2   0.172224   0.013134   0.014987
+    0SOL     H3    3   0.096010  -0.117664   0.013440
+    1SOL     O4    4  -0.183626   0.080301   0.000489
+    1SOL     H5    5  -0.142086  -0.002015   0.026197
+    1SOL     H6    6  -0.127129   0.115186  -0.068456
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110269   0.158923   0.043432
+    0SOL     H2    2   0.043602   0.092750   0.061841
+    0SOL     H3    3   0.106421   0.218360   0.118364
+    1SOL     O4    4  -0.108448  -0.158631  -0.042970
+    1SOL     H5    5  -0.037327  -0.214179  -0.074883
+    1SOL     H6    6  -0.134217  -0.106564  -0.119044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099450  -0.121627   0.120148
+    0SOL     H2    2  -0.184441  -0.163587   0.133493
+    0SOL     H3    3  -0.049717  -0.142464   0.199235
+    1SOL     O4    4   0.106500   0.125376  -0.120357
+    1SOL     H5    5   0.112678   0.152886  -0.211830
+    1SOL     H6    6   0.016678   0.093695  -0.110839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102181   0.174015  -0.034029
+    0SOL     H2    2  -0.038590   0.229165  -0.079603
+    0SOL     H3    3  -0.182283   0.226380  -0.032025
+    1SOL     O4    4   0.103801  -0.175958   0.031336
+    1SOL     H5    5   0.082886  -0.157663   0.122934
+    1SOL     H6    6   0.112279  -0.271212   0.027218
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038231   0.207194  -0.038968
+    0SOL     H2    2   0.120421   0.213771  -0.087587
+    0SOL     H3    3   0.037935   0.117978  -0.004289
+    1SOL     O4    4  -0.046539  -0.203264   0.046686
+    1SOL     H5    5   0.040882  -0.235386   0.024594
+    1SOL     H6    6  -0.078744  -0.163696  -0.034304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116724   0.013876  -0.173535
+    0SOL     H2    2   0.197521  -0.036673  -0.182421
+    0SOL     H3    3   0.048780  -0.042883  -0.209928
+    1SOL     O4    4  -0.115878  -0.009045   0.182547
+    1SOL     H5    5  -0.169459  -0.061114   0.122712
+    1SOL     H6    6  -0.090224   0.067601   0.131267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076885   0.149078  -0.142875
+    0SOL     H2    2  -0.054006   0.234625  -0.106537
+    0SOL     H3    3  -0.102523   0.096808  -0.066896
+    1SOL     O4    4   0.081231  -0.150213   0.140963
+    1SOL     H5    5   0.076730  -0.223345   0.079370
+    1SOL     H6    6   0.011059  -0.091247   0.113374
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119453   0.186653   0.025598
+    0SOL     H2    2  -0.148804   0.131982  -0.047285
+    0SOL     H3    3  -0.097811   0.270746  -0.014680
+    1SOL     O4    4   0.122841  -0.193810  -0.018116
+    1SOL     H5    5   0.150775  -0.121885  -0.074762
+    1SOL     H6    6   0.044706  -0.160590   0.026086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.192424   0.113923   0.005682
+    0SOL     H2    2  -0.128967   0.158880   0.061488
+    0SOL     H3    3  -0.200020   0.169672  -0.071756
+    1SOL     O4    4   0.192392  -0.125953  -0.002658
+    1SOL     H5    5   0.239203  -0.043169  -0.013511
+    1SOL     H6    6   0.100447  -0.103607  -0.017119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.156167   0.136067  -0.067497
+    0SOL     H2    2  -0.165160   0.121444  -0.161665
+    0SOL     H3    3  -0.224044   0.200237  -0.046585
+    1SOL     O4    4   0.155243  -0.143891   0.071098
+    1SOL     H5    5   0.146012  -0.048631   0.072672
+    1SOL     H6    6   0.249368  -0.159028   0.079684
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068420   0.027432   0.214496
+    0SOL     H2    2  -0.022179  -0.046511   0.253947
+    0SOL     H3    3  -0.003994   0.098217   0.213424
+    1SOL     O4    4   0.067524  -0.028006  -0.221063
+    1SOL     H5    5  -0.005232   0.034161  -0.223110
+    1SOL     H6    6   0.054573  -0.077449  -0.140131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033021  -0.218343   0.038279
+    0SOL     H2    2  -0.060812  -0.169856   0.115990
+    0SOL     H3    3   0.004739  -0.299277   0.072720
+    1SOL     O4    4   0.032830   0.217972  -0.039565
+    1SOL     H5    5  -0.040811   0.268451  -0.074079
+    1SOL     H6    6   0.095338   0.214158  -0.111956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.230691   0.028883  -0.034653
+    0SOL     H2    2   0.262147   0.093332   0.028743
+    0SOL     H3    3   0.169736   0.077559  -0.090128
+    1SOL     O4    4  -0.230097  -0.031416   0.028785
+    1SOL     H5    5  -0.259871  -0.122237   0.034024
+    1SOL     H6    6  -0.184916  -0.016147   0.111778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.103142  -0.071132  -0.198531
+    0SOL     H2    2   0.108018  -0.119299  -0.281106
+    0SOL     H3    3   0.016182  -0.031133  -0.199179
+    1SOL     O4    4  -0.096353   0.072180   0.197190
+    1SOL     H5    5  -0.159712   0.127683   0.242659
+    1SOL     H6    6  -0.073022   0.004967   0.261225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040636   0.212814  -0.101734
+    0SOL     H2    2  -0.106515   0.257090  -0.048237
+    0SOL     H3    3   0.031795   0.275164  -0.107082
+    1SOL     O4    4   0.041736  -0.224990   0.098130
+    1SOL     H5    5   0.003882  -0.181540   0.174559
+    1SOL     H6    6   0.056459  -0.154367   0.035217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037563  -0.156383  -0.198349
+    0SOL     H2    2   0.056479  -0.140372  -0.105893
+    0SOL     H3    3   0.051501  -0.071688  -0.240714
+    1SOL     O4    4  -0.039860   0.146672   0.190791
+    1SOL     H5    5   0.021407   0.219293   0.202403
+    1SOL     H6    6  -0.092967   0.147110   0.270426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002134   0.180185   0.195606
+    0SOL     H2    2  -0.054512   0.260083   0.201535
+    0SOL     H3    3   0.087937   0.209450   0.209501
+    1SOL     O4    4   0.002841  -0.181730  -0.193309
+    1SOL     H5    5  -0.038704  -0.174312  -0.279223
+    1SOL     H6    6  -0.006885  -0.274016  -0.169836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067486   0.246139  -0.177917
+    0SOL     H2    2  -0.086721   0.267586  -0.086635
+    0SOL     H3    3  -0.122819   0.170386  -0.196944
+    1SOL     O4    4   0.066994  -0.240908   0.170118
+    1SOL     H5    5   0.143499  -0.290484   0.140936
+    1SOL     H6    6   0.079017  -0.231650   0.264628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077358  -0.299684   0.030634
+    0SOL     H2    2  -0.020012  -0.327121  -0.040927
+    0SOL     H3    3  -0.165928  -0.312214  -0.003437
+    1SOL     O4    4   0.084540   0.304960  -0.023151
+    1SOL     H5    5   0.074712   0.220921  -0.067909
+    1SOL     H6    6  -0.005100   0.336097  -0.010606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107540  -0.297353  -0.058596
+    0SOL     H2    2  -0.025504  -0.271766  -0.100760
+    0SOL     H3    3  -0.108234  -0.392946  -0.063476
+    1SOL     O4    4   0.103413   0.296341   0.056612
+    1SOL     H5    5   0.173722   0.357425   0.078697
+    1SOL     H6    6   0.031046   0.321244   0.114103
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079980  -0.182388   0.265177
+    0SOL     H2    2  -0.151205  -0.226995   0.310996
+    0SOL     H3    3  -0.117604  -0.098647   0.238081
+    1SOL     O4    4   0.085362   0.174010  -0.263506
+    1SOL     H5    5   0.020803   0.222452  -0.314962
+    1SOL     H6    6   0.159876   0.233648  -0.256206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135502  -0.022077   0.337578
+    0SOL     H2    2   0.186820   0.044166   0.291311
+    0SOL     H3    3   0.087730  -0.067993   0.268499
+    1SOL     O4    4  -0.130919   0.025180  -0.328515
+    1SOL     H5    5  -0.223406   0.027876  -0.303993
+    1SOL     H6    6  -0.123335  -0.051618  -0.385144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088546  -0.078601  -0.342136
+    0SOL     H2    2   0.133006  -0.102355  -0.260764
+    0SOL     H3    3   0.135760  -0.126598  -0.410175
+    1SOL     O4    4  -0.094698   0.083344   0.347437
+    1SOL     H5    5  -0.149569   0.132285   0.286149
+    1SOL     H6    6  -0.035810   0.032548   0.291632
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121975   0.328509   0.124449
+    0SOL     H2    2   0.161813   0.319421   0.211009
+    0SOL     H3    3   0.040464   0.376083   0.140420
+    1SOL     O4    4  -0.114491  -0.328580  -0.133528
+    1SOL     H5    5  -0.205331  -0.299272  -0.140702
+    1SOL     H6    6  -0.114899  -0.390318  -0.060381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030059   0.313107   0.248581
+    0SOL     H2    2  -0.092452   0.360309   0.303731
+    0SOL     H3    3  -0.059790   0.222157   0.251135
+    1SOL     O4    4   0.036294  -0.314272  -0.257014
+    1SOL     H5    5  -0.030476  -0.320117  -0.188676
+    1SOL     H6    6   0.090304  -0.239490  -0.231461
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076283  -0.067993   0.407894
+    0SOL     H2    2   0.059897   0.005062   0.348255
+    0SOL     H3    3   0.153068  -0.111992   0.371419
+    1SOL     O4    4  -0.076418   0.061701  -0.398979
+    1SOL     H5    5  -0.054908   0.095319  -0.485982
+    1SOL     H6    6  -0.155795   0.108971  -0.373936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002257   0.153011   0.396094
+    0SOL     H2    2   0.090957   0.161866   0.415972
+    0SOL     H3    3  -0.004935   0.130581   0.303078
+    1SOL     O4    4  -0.005339  -0.153732  -0.386723
+    1SOL     H5    5  -0.026427  -0.174726  -0.477700
+    1SOL     H6    6   0.077314  -0.105711  -0.391713
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137833  -0.311130   0.264514
+    0SOL     H2    2   0.117924  -0.367579   0.339210
+    0SOL     H3    3   0.061692  -0.319532   0.207118
+    1SOL     O4    4  -0.136251   0.309841  -0.266535
+    1SOL     H5    5  -0.158250   0.400649  -0.245744
+    1SOL     H6    6  -0.041071   0.309928  -0.276692
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063537   0.449293   0.120050
+    0SOL     H2    2  -0.099849   0.528430   0.159813
+    0SOL     H3    3  -0.093935   0.378057   0.176297
+    1SOL     O4    4   0.068282  -0.454924  -0.122562
+    1SOL     H5    5   0.131391  -0.383818  -0.133672
+    1SOL     H6    6  -0.009296  -0.425870  -0.170518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095798   0.143344  -0.444107
+    0SOL     H2    2  -0.141879   0.073568  -0.397520
+    0SOL     H3    3  -0.151766   0.220275  -0.433553
+    1SOL     O4    4   0.096046  -0.140150   0.442272
+    1SOL     H5    5   0.103009  -0.232093   0.416576
+    1SOL     H6    6   0.186448  -0.108719   0.443705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.294484   0.448948  -0.021079
+    0SOL     H2    2  -0.256450   0.361788  -0.010182
+    0SOL     H3    3  -0.225264   0.508974   0.006630
+    1SOL     O4    4   0.288592  -0.443837   0.013929
+    1SOL     H5    5   0.362357  -0.465383   0.070997
+    1SOL     H6    6   0.214701  -0.492123   0.050955
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101895  -0.508093  -0.212136
+    0SOL     H2    2  -0.117427  -0.413656  -0.210500
+    0SOL     H3    3  -0.019056  -0.517981  -0.259064
+    1SOL     O4    4   0.103036   0.508794   0.215905
+    1SOL     H5    5   0.096884   0.460163   0.133688
+    1SOL     H6    6   0.034710   0.471032   0.271293
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012037   0.566999  -0.091192
+    0SOL     H2    2  -0.083450   0.560647  -0.093249
+    0SOL     H3    3   0.037162   0.524403  -0.009236
+    1SOL     O4    4  -0.003542  -0.569264   0.087494
+    1SOL     H5    5  -0.044991  -0.537125   0.007423
+    1SOL     H6    6  -0.046998  -0.521220   0.157962
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039079   0.634419  -0.355678
+    0SOL     H2    2  -0.066745   0.546757  -0.382368
+    0SOL     H3    3  -0.060747   0.639111  -0.262561
+    1SOL     O4    4   0.046276  -0.629409   0.347697
+    1SOL     H5    5  -0.048389  -0.623066   0.335025
+    1SOL     H6    6   0.057103  -0.641509   0.442030
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.163904   0.625549   0.357354
+    0SOL     H2    2   0.094096   0.638479   0.293151
+    0SOL     H3    3   0.230979   0.689368   0.333055
+    1SOL     O4    4  -0.168458  -0.627660  -0.355898
+    1SOL     H5    5  -0.107090  -0.577259  -0.302456
+    1SOL     H6    6  -0.144536  -0.719004  -0.340205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.551786  -0.599997  -0.062222
+    0SOL     H2    2  -0.456080  -0.600158  -0.063855
+    0SOL     H3    3  -0.577333  -0.628558  -0.149938
+    1SOL     O4    4   0.546228   0.606982   0.064799
+    1SOL     H5    5   0.629768   0.560948   0.056787
+    1SOL     H6    6   0.492625   0.550007   0.119961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.633642  -0.304376  -0.545841
+    0SOL     H2    2  -0.638577  -0.245616  -0.470440
+    0SOL     H3    3  -0.718444  -0.348749  -0.547276
+    1SOL     O4    4   0.637675   0.309861   0.542641
+    1SOL     H5    5   0.651567   0.239783   0.606347
+    1SOL     H6    6   0.630097   0.264717   0.458576
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.311517  -0.770823   0.323168
+    0SOL     H2    2   0.224276  -0.810208   0.323590
+    0SOL     H3    3   0.371297  -0.845012   0.313976
+    1SOL     O4    4  -0.306803   0.778768  -0.328348
+    1SOL     H5    5  -0.288427   0.818371  -0.243165
+    1SOL     H6    6  -0.376087   0.715104  -0.310771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063545  -0.028425  -0.109754
+    0SOL     H2    2   0.111190   0.054246  -0.117357
+    0SOL     H3    3   0.127030  -0.089332  -0.072042
+    1SOL     O4    4  -0.067616   0.027028   0.114663
+    1SOL     H5    5  -0.151836   0.060978   0.084386
+    1SOL     H6    6  -0.023760  -0.002875   0.035009
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027064   0.090851  -0.096728
+    0SOL     H2    2  -0.010600   0.042099  -0.016016
+    0SOL     H3    3  -0.100392   0.148553  -0.075377
+    1SOL     O4    4   0.029855  -0.085164   0.088167
+    1SOL     H5    5   0.112641  -0.132607   0.095785
+    1SOL     H6    6  -0.035984  -0.146342   0.121103
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099269  -0.084087   0.013888
+    0SOL     H2    2   0.042915  -0.134105   0.072921
+    0SOL     H3    3   0.169055  -0.050440   0.070102
+    1SOL     O4    4  -0.104681   0.088607  -0.024769
+    1SOL     H5    5  -0.084434   0.093325   0.068666
+    1SOL     H6    6  -0.040745   0.026741  -0.060086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116612  -0.033035  -0.062571
+    0SOL     H2    2   0.141499  -0.125246  -0.068912
+    0SOL     H3    3   0.052051  -0.030404   0.008050
+    1SOL     O4    4  -0.107372   0.036916   0.058300
+    1SOL     H5    5  -0.158852   0.030383   0.138733
+    1SOL     H6    6  -0.171620   0.057013  -0.009748
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048513   0.009957  -0.119691
+    0SOL     H2    2  -0.135354  -0.022120  -0.095361
+    0SOL     H3    3  -0.064446   0.068634  -0.193619
+    1SOL     O4    4   0.049660  -0.009519   0.127420
+    1SOL     H5    5   0.126662  -0.066112   0.132912
+    1SOL     H6    6   0.046413   0.017757   0.035726
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027779   0.093285   0.103220
+    0SOL     H2    2  -0.048072   0.023464   0.040966
+    0SOL     H3    3   0.059857   0.072069   0.135348
+    1SOL     O4    4   0.020564  -0.082059  -0.099277
+    1SOL     H5    5   0.032331  -0.165761  -0.054355
+    1SOL     H6    6   0.065216  -0.093370  -0.183185
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106936  -0.072735   0.025135
+    0SOL     H2    2   0.135384  -0.151434  -0.021335
+    0SOL     H3    3   0.185777  -0.041086   0.069234
+    1SOL     O4    4  -0.118751   0.077795  -0.023200
+    1SOL     H5    5  -0.076056   0.086055  -0.108472
+    1SOL     H6    6  -0.057381   0.026632   0.029510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097819   0.026653   0.087513
+    0SOL     H2    2  -0.106068   0.099115   0.149510
+    0SOL     H3    3  -0.186863   0.012204   0.055500
+    1SOL     O4    4   0.109392  -0.032977  -0.090288
+    1SOL     H5    5   0.039055  -0.023998  -0.154587
+    1SOL     H6    6   0.074604   0.007536  -0.010848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035014   0.114987  -0.059486
+    0SOL     H2    2   0.119169   0.129860  -0.102602
+    0SOL     H3    3   0.009165   0.201205  -0.026920
+    1SOL     O4    4  -0.035823  -0.127385   0.059529
+    1SOL     H5    5  -0.012853  -0.048865   0.009836
+    1SOL     H6    6  -0.104634  -0.098557   0.119499
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028397   0.136653  -0.037822
+    0SOL     H2    2  -0.035077   0.041670  -0.028021
+    0SOL     H3    3  -0.119033   0.167388  -0.036116
+    1SOL     O4    4   0.026359  -0.132422   0.036958
+    1SOL     H5    5   0.071790  -0.213189   0.012977
+    1SOL     H6    6   0.095964  -0.073405   0.065845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107547   0.033391   0.078939
+    0SOL     H2    2  -0.054758   0.086799   0.138296
+    0SOL     H3    3  -0.192735   0.026650   0.122066
+    1SOL     O4    4   0.111031  -0.042150  -0.083827
+    1SOL     H5    5   0.151032   0.022677  -0.141790
+    1SOL     H6    6   0.037637   0.003988  -0.043244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124867  -0.037108  -0.042038
+    0SOL     H2    2  -0.135508  -0.131929  -0.049657
+    0SOL     H3    3  -0.195958  -0.000667  -0.094768
+    1SOL     O4    4   0.134515   0.036432   0.047442
+    1SOL     H5    5   0.139657   0.131712   0.039849
+    1SOL     H6    6   0.044800   0.015118   0.021767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042724  -0.109196  -0.073792
+    0SOL     H2    2   0.071864  -0.196662  -0.048046
+    0SOL     H3    3   0.112773  -0.076151  -0.130036
+    1SOL     O4    4  -0.044984   0.117082   0.080146
+    1SOL     H5    5  -0.126568   0.137067   0.034243
+    1SOL     H6    6  -0.027560   0.025307   0.059264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111274   0.074355   0.058867
+    0SOL     H2    2   0.104943   0.011401   0.130693
+    0SOL     H3    3   0.033263   0.129071   0.067965
+    1SOL     O4    4  -0.108964  -0.068373  -0.065060
+    1SOL     H5    5  -0.148568  -0.154986  -0.074657
+    1SOL     H6    6  -0.024065  -0.085202  -0.024179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037716  -0.119716  -0.068784
+    0SOL     H2    2  -0.061322  -0.113381   0.023763
+    0SOL     H3    3  -0.116158  -0.154459  -0.111235
+    1SOL     O4    4   0.049081   0.122693   0.063082
+    1SOL     H5    5  -0.009341   0.048217   0.048847
+    1SOL     H6    6   0.006812   0.173454   0.132357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030064   0.134532   0.057802
+    0SOL     H2    2   0.055816   0.157880   0.093042
+    0SOL     H3    3  -0.016423   0.049726   0.015561
+    1SOL     O4    4   0.025484  -0.125920  -0.052883
+    1SOL     H5    5  -0.001421  -0.215596  -0.032969
+    1SOL     H6    6   0.034315  -0.124114  -0.148178
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045810   0.017839   0.142393
+    0SOL     H2    2  -0.006316   0.012576   0.055360
+    0SOL     H3    3  -0.131847  -0.022856   0.132207
+    1SOL     O4    4   0.048365  -0.011814  -0.130774
+    1SOL     H5    5   0.078102   0.016499  -0.217240
+    1SOL     H6    6   0.018693  -0.101867  -0.143900
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095750  -0.050411  -0.091259
+    0SOL     H2    2  -0.121471  -0.073333  -0.180564
+    0SOL     H3    3  -0.102273  -0.132566  -0.042571
+    1SOL     O4    4   0.098962   0.058974   0.099231
+    1SOL     H5    5   0.023237   0.075598   0.043091
+    1SOL     H6    6   0.147294  -0.010430   0.054404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.069527  -0.045976   0.113264
+    0SOL     H2    2  -0.090465  -0.013982   0.201015
+    0SOL     H3    3  -0.114730  -0.130115   0.106977
+    1SOL     O4    4   0.077101   0.054680  -0.119014
+    1SOL     H5    5   0.032565   0.020854  -0.041331
+    1SOL     H6    6   0.059223  -0.010198  -0.187085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.081660  -0.082316   0.091385
+    0SOL     H2    2  -0.119851  -0.016096   0.148993
+    0SOL     H3    3  -0.145576  -0.092521   0.020866
+    1SOL     O4    4   0.086331   0.083800  -0.096897
+    1SOL     H5    5   0.043211   0.091167  -0.011757
+    1SOL     H6    6   0.143129   0.007213  -0.088484
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074800   0.132149   0.018278
+    0SOL     H2    2  -0.063014   0.037959   0.005970
+    0SOL     H3    3  -0.090611   0.166072  -0.069822
+    1SOL     O4    4   0.068744  -0.127639  -0.013871
+    1SOL     H5    5   0.135632  -0.144823  -0.080151
+    1SOL     H6    6   0.116061  -0.130521   0.069286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032536  -0.083812  -0.126547
+    0SOL     H2    2  -0.051449  -0.157550  -0.068518
+    0SOL     H3    3  -0.037385  -0.006821  -0.069880
+    1SOL     O4    4   0.032908   0.077955   0.123484
+    1SOL     H5    5   0.113256   0.097892   0.075431
+    1SOL     H6    6  -0.026430   0.149902   0.101922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019858  -0.151471   0.003630
+    0SOL     H2    2   0.038139  -0.214932  -0.038457
+    0SOL     H3    3   0.025292  -0.067620  -0.006008
+    1SOL     O4    4   0.014090   0.144869  -0.004724
+    1SOL     H5    5  -0.051957   0.214132  -0.006417
+    1SOL     H6    6   0.068755   0.165683   0.071044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118762  -0.062826   0.065096
+    0SOL     H2    2   0.130165  -0.014457   0.146905
+    0SOL     H3    3   0.068917  -0.140662   0.089984
+    1SOL     O4    4  -0.117888   0.071730  -0.072912
+    1SOL     H5    5  -0.033536   0.028479  -0.059633
+    1SOL     H6    6  -0.182395   0.001450  -0.065044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030453   0.139552  -0.053485
+    0SOL     H2    2  -0.109986   0.192179  -0.045289
+    0SOL     H3    3  -0.038555   0.073017   0.014850
+    1SOL     O4    4   0.036170  -0.131679   0.048504
+    1SOL     H5    5  -0.041470  -0.187624   0.050622
+    1SOL     H6    6   0.109826  -0.192804   0.049376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111985   0.076269   0.081051
+    0SOL     H2    2  -0.156676   0.042401   0.003476
+    0SOL     H3    3  -0.024183   0.038411   0.076608
+    1SOL     O4    4   0.103724  -0.073819  -0.078313
+    1SOL     H5    5   0.149681  -0.099921   0.001493
+    1SOL     H6    6   0.164150  -0.014053  -0.122347
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076503  -0.085919   0.103742
+    0SOL     H2    2   0.066257  -0.049861   0.191817
+    0SOL     H3    3   0.043897  -0.017136   0.045707
+    1SOL     O4    4  -0.076003   0.074336  -0.102015
+    1SOL     H5    5  -0.065025   0.164137  -0.070746
+    1SOL     H6    6  -0.053526   0.078376  -0.194971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010304  -0.074235   0.126322
+    0SOL     H2    2   0.026520  -0.150881   0.170274
+    0SOL     H3    3  -0.085655  -0.049682   0.180004
+    1SOL     O4    4   0.018151   0.077382  -0.135199
+    1SOL     H5    5  -0.001553   0.095610  -0.043320
+    1SOL     H6    6  -0.067344   0.062465  -0.175576
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043670   0.084554   0.122821
+    0SOL     H2    2  -0.006953   0.135964   0.185723
+    0SOL     H3    3   0.017289  -0.006009   0.139088
+    1SOL     O4    4  -0.032824  -0.085127  -0.127962
+    1SOL     H5    5  -0.062473  -0.017976  -0.066529
+    1SOL     H6    6  -0.110004  -0.104866  -0.181027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073686  -0.089812  -0.097690
+    0SOL     H2    2  -0.147418  -0.150397  -0.105129
+    0SOL     H3    3  -0.080093  -0.034535  -0.175572
+    1SOL     O4    4   0.082457   0.089498   0.105954
+    1SOL     H5    5   0.041803   0.169830   0.073451
+    1SOL     H6    6   0.034886   0.019034   0.061974
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104643  -0.084659  -0.093434
+    0SOL     H2    2   0.036561  -0.019260  -0.077621
+    0SOL     H3    3   0.185065  -0.043806  -0.061407
+    1SOL     O4    4  -0.106296   0.075022   0.086053
+    1SOL     H5    5  -0.104240   0.053524   0.179305
+    1SOL     H6    6  -0.088441   0.169002   0.082692
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137720   0.050632  -0.059359
+    0SOL     H2    2   0.231717   0.067831  -0.064940
+    0SOL     H3    3   0.124942   0.015490   0.028755
+    1SOL     O4    4  -0.138147  -0.053218   0.059328
+    1SOL     H5    5  -0.133648  -0.065121  -0.035543
+    1SOL     H6    6  -0.203960   0.015152   0.071842
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031962  -0.101583  -0.112197
+    0SOL     H2    2   0.027593  -0.113887  -0.186117
+    0SOL     H3    3  -0.053127  -0.190378  -0.083393
+    1SOL     O4    4   0.035899   0.109339   0.115633
+    1SOL     H5    5  -0.035739   0.139557   0.171465
+    1SOL     H6    6  -0.006034   0.051328   0.052082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090168   0.079866   0.099338
+    0SOL     H2    2   0.162027   0.110102   0.043801
+    0SOL     H3    3   0.068697   0.155415   0.154051
+    1SOL     O4    4  -0.099053  -0.084477  -0.099352
+    1SOL     H5    5  -0.027267  -0.038077  -0.056268
+    1SOL     H6    6  -0.056723  -0.157395  -0.144667
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.048958   0.126846  -0.075969
+    0SOL     H2    2   0.019428   0.109033  -0.165260
+    0SOL     H3    3   0.100250   0.207334  -0.083262
+    1SOL     O4    4  -0.049236  -0.135811   0.084666
+    1SOL     H5    5   0.007000  -0.098321   0.016885
+    1SOL     H6    6  -0.121509  -0.073606   0.093002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119325  -0.118654   0.016476
+    0SOL     H2    2   0.072911  -0.132858   0.098976
+    0SOL     H3    3   0.056686  -0.071582  -0.038504
+    1SOL     O4    4  -0.112939   0.110471  -0.022036
+    1SOL     H5    5  -0.071854   0.127598   0.062705
+    1SOL     H6    6  -0.155019   0.193192  -0.045461
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000598   0.143051  -0.065844
+    0SOL     H2    2   0.023497   0.170747  -0.154245
+    0SOL     H3    3  -0.062886   0.209351  -0.036063
+    1SOL     O4    4  -0.003508  -0.149035   0.070660
+    1SOL     H5    5   0.052170  -0.071438   0.064260
+    1SOL     H6    6   0.055351  -0.222353   0.052708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.103476  -0.131483  -0.017903
+    0SOL     H2    2   0.103181  -0.174663   0.067524
+    0SOL     H3    3   0.080639  -0.040495   0.001119
+    1SOL     O4    4  -0.098098   0.123526   0.012607
+    1SOL     H5    5  -0.164264   0.138204  -0.054987
+    1SOL     H6    6  -0.101094   0.202463   0.066665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002327  -0.018454   0.163106
+    0SOL     H2    2   0.036637   0.068840   0.182208
+    0SOL     H3    3   0.080125  -0.073724   0.155688
+    1SOL     O4    4  -0.013620   0.012818  -0.162356
+    1SOL     H5    5   0.075516  -0.008541  -0.134772
+    1SOL     H6    6  -0.004571   0.094282  -0.211795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034604   0.122212  -0.099652
+    0SOL     H2    2  -0.016498   0.192892  -0.161611
+    0SOL     H3    3  -0.058513   0.166980  -0.018495
+    1SOL     O4    4   0.037178  -0.124805   0.103538
+    1SOL     H5    5   0.084150  -0.152885   0.025005
+    1SOL     H6    6  -0.050506  -0.161887   0.093602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093965  -0.029011   0.134146
+    0SOL     H2    2  -0.108773  -0.068301   0.048127
+    0SOL     H3    3  -0.179776  -0.030965   0.176515
+    1SOL     O4    4   0.093039   0.030224  -0.132375
+    1SOL     H5    5   0.147641   0.018828  -0.054586
+    1SOL     H6    6   0.153602   0.060679  -0.199954
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054078   0.120507  -0.109591
+    0SOL     H2    2  -0.069797   0.191939  -0.047844
+    0SOL     H3    3  -0.140038   0.102220  -0.147521
+    1SOL     O4    4   0.061590  -0.128283   0.111457
+    1SOL     H5    5   0.007094  -0.133690   0.032950
+    1SOL     H6    6   0.070435  -0.034439   0.128114
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122346   0.077441  -0.092143
+    0SOL     H2    2   0.195993   0.085835  -0.031580
+    0SOL     H3    3   0.155872   0.110609  -0.175439
+    1SOL     O4    4  -0.128601  -0.085277   0.097676
+    1SOL     H5    5  -0.105360  -0.081996   0.004878
+    1SOL     H6    6  -0.141022   0.006314   0.122558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047275  -0.121934   0.130102
+    0SOL     H2    2   0.045216  -0.118964   0.154572
+    0SOL     H3    3  -0.049357  -0.089310   0.040137
+    1SOL     O4    4   0.036566   0.122245  -0.127988
+    1SOL     H5    5   0.069275   0.032996  -0.139261
+    1SOL     H6    6   0.112365   0.171861  -0.097085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125161  -0.020131  -0.126274
+    0SOL     H2    2  -0.062864  -0.092407  -0.118686
+    0SOL     H3    3  -0.144357  -0.014722  -0.219893
+    1SOL     O4    4   0.126313   0.019673   0.128265
+    1SOL     H5    5   0.095170   0.102821   0.092502
+    1SOL     H6    6   0.091461   0.017323   0.217383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.134216   0.055607  -0.113541
+    0SOL     H2    2   0.127261   0.027630  -0.204817
+    0SOL     H3    3   0.058086   0.111992  -0.099856
+    1SOL     O4    4  -0.133913  -0.052198   0.116890
+    1SOL     H5    5  -0.154777  -0.143439   0.136937
+    1SOL     H6    6  -0.038541  -0.050587   0.108892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146082   0.066753  -0.092201
+    0SOL     H2    2  -0.138545   0.158723  -0.117635
+    0SOL     H3    3  -0.140733   0.067765   0.003364
+    1SOL     O4    4   0.150978  -0.074322   0.089471
+    1SOL     H5    5   0.129826   0.011676   0.053151
+    1SOL     H6    6   0.066032  -0.116593   0.102102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072423   0.172043   0.021897
+    0SOL     H2    2   0.016424   0.178566  -0.013119
+    0SOL     H3    3  -0.061015   0.174514   0.116903
+    1SOL     O4    4   0.071854  -0.173151  -0.022016
+    1SOL     H5    5   0.029921  -0.091483  -0.049114
+    1SOL     H6    6   0.017305  -0.241942  -0.060154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153353  -0.010319   0.112931
+    0SOL     H2    2   0.111308  -0.026462   0.028468
+    0SOL     H3    3   0.199052   0.073001   0.101455
+    1SOL     O4    4  -0.148241   0.006535  -0.103381
+    1SOL     H5    5  -0.149728   0.006575  -0.199090
+    1SOL     H6    6  -0.240342   0.000791  -0.077952
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007203  -0.082516  -0.173613
+    0SOL     H2    2  -0.032950  -0.035528  -0.100523
+    0SOL     H3    3   0.019565  -0.171640  -0.140956
+    1SOL     O4    4  -0.006122   0.078071   0.169547
+    1SOL     H5    5  -0.061615   0.120322   0.103990
+    1SOL     H6    6   0.049914   0.148353   0.202451
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.158289   0.111830   0.001740
+    0SOL     H2    2  -0.068753   0.145648   0.003172
+    0SOL     H3    3  -0.187918   0.126156  -0.088145
+    1SOL     O4    4   0.154839  -0.109253   0.007554
+    1SOL     H5    5   0.109027  -0.123279  -0.075312
+    1SOL     H6    6   0.203033  -0.190611   0.022403
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.143711   0.124600   0.006976
+    0SOL     H2    2   0.236366   0.113735   0.028406
+    0SOL     H3    3   0.142389   0.137774  -0.087824
+    1SOL     O4    4  -0.152768  -0.129736   0.000136
+    1SOL     H5    5  -0.179024  -0.038385  -0.011175
+    1SOL     H6    6  -0.062087  -0.132597  -0.030376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.189495  -0.017806  -0.033810
+    0SOL     H2    2  -0.271811   0.008154  -0.075192
+    0SOL     H3    3  -0.121994   0.007119  -0.096935
+    1SOL     O4    4   0.192648   0.019797   0.044182
+    1SOL     H5    5   0.193908   0.011533  -0.051172
+    1SOL     H6    6   0.152656  -0.061601   0.074798
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128598   0.148169  -0.002225
+    0SOL     H2    2   0.189667   0.194875  -0.059247
+    0SOL     H3    3   0.068746   0.215846   0.029395
+    1SOL     O4    4  -0.122456  -0.155475   0.007394
+    1SOL     H5    5  -0.165554  -0.219070  -0.049706
+    1SOL     H6    6  -0.179125  -0.078386   0.004540
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133891  -0.063421  -0.152831
+    0SOL     H2    2   0.056744  -0.015874  -0.183650
+    0SOL     H3    3   0.131110  -0.054502  -0.057568
+    1SOL     O4    4  -0.123225   0.059190   0.145351
+    1SOL     H5    5  -0.196424   0.118196   0.127393
+    1SOL     H6    6  -0.147756   0.014480   0.226355
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121934  -0.126575  -0.100582
+    0SOL     H2    2   0.107061  -0.217739  -0.075478
+    0SOL     H3    3   0.102748  -0.124060  -0.194325
+    1SOL     O4    4  -0.120918   0.124968   0.101556
+    1SOL     H5    5  -0.173682   0.201939   0.080257
+    1SOL     H6    6  -0.057619   0.156382   0.166122
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108113  -0.167096  -0.040718
+    0SOL     H2    2  -0.183903  -0.173146  -0.098870
+    0SOL     H3    3  -0.105368  -0.251679   0.004008
+    1SOL     O4    4   0.106563   0.171943   0.044608
+    1SOL     H5    5   0.180385   0.223516   0.077056
+    1SOL     H6    6   0.138760   0.132227  -0.036313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.132612   0.159514   0.026021
+    0SOL     H2    2   0.199790   0.169721   0.093439
+    0SOL     H3    3   0.050172   0.176844   0.071470
+    1SOL     O4    4  -0.133020  -0.163544  -0.039190
+    1SOL     H5    5  -0.184715  -0.100821   0.011366
+    1SOL     H6    6  -0.058949  -0.184866   0.017566
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066315  -0.042484  -0.192410
+    0SOL     H2    2   0.128859   0.027963  -0.175446
+    0SOL     H3    3   0.018876  -0.014153  -0.270572
+    1SOL     O4    4  -0.071266   0.030844   0.198340
+    1SOL     H5    5  -0.043809   0.056123   0.110196
+    1SOL     H6    6  -0.030312   0.095588   0.255727
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102459  -0.010513   0.180556
+    0SOL     H2    2  -0.168073  -0.074988   0.207013
+    0SOL     H3    3  -0.098752   0.051296   0.253551
+    1SOL     O4    4   0.107974   0.016117  -0.183807
+    1SOL     H5    5   0.049563  -0.049748  -0.146227
+    1SOL     H6    6   0.132138  -0.019272  -0.269400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062183  -0.064103  -0.202893
+    0SOL     H2    2  -0.069015  -0.017718  -0.119442
+    0SOL     H3    3   0.002080  -0.133185  -0.186762
+    1SOL     O4    4   0.053852   0.062638   0.195423
+    1SOL     H5    5   0.095559   0.141740   0.161280
+    1SOL     H6    6   0.109032   0.036290   0.269066
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116200  -0.081701  -0.165705
+    0SOL     H2    2   0.134010  -0.160723  -0.114707
+    0SOL     H3    3   0.026576  -0.093213  -0.197287
+    1SOL     O4    4  -0.118730   0.084871   0.166668
+    1SOL     H5    5  -0.054111   0.141105   0.209381
+    1SOL     H6    6  -0.075834   0.055881   0.086158
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024044  -0.072506  -0.222224
+    0SOL     H2    2  -0.066084  -0.006645  -0.166931
+    0SOL     H3    3   0.065894  -0.077200  -0.189797
+    1SOL     O4    4   0.017711   0.074970   0.216383
+    1SOL     H5    5   0.106286   0.066986   0.251782
+    1SOL     H6    6  -0.009241  -0.015141   0.198607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096497   0.192430  -0.081006
+    0SOL     H2    2  -0.060144   0.117946  -0.128891
+    0SOL     H3    3  -0.069266   0.269038  -0.131522
+    1SOL     O4    4   0.087931  -0.196946   0.084329
+    1SOL     H5    5   0.179291  -0.218714   0.102813
+    1SOL     H6    6   0.079638  -0.104938   0.109391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076523   0.099282   0.205172
+    0SOL     H2    2   0.048235   0.008597   0.216935
+    0SOL     H3    3   0.138962   0.095737   0.132708
+    1SOL     O4    4  -0.084753  -0.096264  -0.203253
+    1SOL     H5    5  -0.003733  -0.137320  -0.233460
+    1SOL     H6    6  -0.055754  -0.020886  -0.151876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071300   0.010418   0.237737
+    0SOL     H2    2   0.071375  -0.070782   0.187053
+    0SOL     H3    3   0.069769   0.079834   0.171847
+    1SOL     O4    4  -0.075274  -0.007703  -0.237511
+    1SOL     H5    5   0.008521  -0.053969  -0.237226
+    1SOL     H6    6  -0.095210   0.006410  -0.144960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061879   0.003806  -0.244534
+    0SOL     H2    2   0.060335   0.075338  -0.308120
+    0SOL     H3    3  -0.020272   0.012844  -0.196245
+    1SOL     O4    4  -0.055227  -0.001180   0.243315
+    1SOL     H5    5  -0.003955  -0.071338   0.283458
+    1SOL     H6    6  -0.143802  -0.036882   0.236824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003041  -0.114500  -0.249910
+    0SOL     H2    2   0.078830  -0.172708  -0.255412
+    0SOL     H3    3   0.038222  -0.032504  -0.215251
+    1SOL     O4    4  -0.010519   0.105973   0.245574
+    1SOL     H5    5  -0.030829   0.191498   0.207689
+    1SOL     H6    6   0.031489   0.126128   0.329189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040340   0.274579   0.018780
+    0SOL     H2    2   0.122587   0.232659  -0.006528
+    0SOL     H3    3   0.046641   0.284383   0.113788
+    1SOL     O4    4  -0.042697  -0.276534  -0.027579
+    1SOL     H5    5  -0.039212  -0.303076   0.064321
+    1SOL     H6    6  -0.078841  -0.187922  -0.025614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021447   0.121499  -0.258624
+    0SOL     H2    2   0.047110   0.083229  -0.203874
+    0SOL     H3    3  -0.050794   0.049352  -0.314264
+    1SOL     O4    4   0.013858  -0.113940   0.257805
+    1SOL     H5    5   0.074784  -0.087588   0.326769
+    1SOL     H6    6   0.063709  -0.175380   0.203932
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134044  -0.221468  -0.149738
+    0SOL     H2    2  -0.072608  -0.281351  -0.192187
+    0SOL     H3    3  -0.147221  -0.258495  -0.062459
+    1SOL     O4    4   0.133043   0.225527   0.152986
+    1SOL     H5    5   0.179890   0.273666   0.084792
+    1SOL     H6    6   0.044918   0.213468   0.117619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.220197   0.212620   0.088291
+    0SOL     H2    2   0.257044   0.124942   0.099113
+    0SOL     H3    3   0.278092   0.255360   0.025173
+    1SOL     O4    4  -0.223354  -0.212768  -0.091194
+    1SOL     H5    5  -0.282755  -0.139681  -0.074101
+    1SOL     H6    6  -0.197978  -0.243894  -0.004306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023227  -0.015230  -0.348172
+    0SOL     H2    2  -0.088719   0.011731  -0.412564
+    0SOL     H3    3  -0.022213   0.055650  -0.283851
+    1SOL     O4    4   0.029088   0.009730   0.354044
+    1SOL     H5    5  -0.053192   0.043910   0.319058
+    1SOL     H6    6   0.071960  -0.031203   0.278886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041079   0.335645  -0.131432
+    0SOL     H2    2  -0.048338   0.247302  -0.095307
+    0SOL     H3    3  -0.102598   0.387788  -0.079868
+    1SOL     O4    4   0.049606  -0.334483   0.121643
+    1SOL     H5    5   0.020202  -0.393087   0.191380
+    1SOL     H6    6  -0.002228  -0.254922   0.133707
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.199115  -0.018728  -0.326127
+    0SOL     H2    2   0.167735  -0.105034  -0.299129
+    0SOL     H3    3   0.136350   0.042646  -0.287966
+    1SOL     O4    4  -0.196215   0.018984   0.315813
+    1SOL     H5    5  -0.241571   0.001877   0.398351
+    1SOL     H6    6  -0.111405   0.054807   0.342012
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.186887   0.066452   0.340634
+    0SOL     H2    2   0.244327   0.058453   0.264484
+    0SOL     H3    3   0.109594   0.112302   0.307681
+    1SOL     O4    4  -0.191426  -0.065761  -0.333101
+    1SOL     H5    5  -0.106253  -0.023480  -0.344063
+    1SOL     H6    6  -0.173187  -0.159260  -0.342465
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030846  -0.040639   0.422783
+    0SOL     H2    2   0.110434   0.010641   0.408700
+    0SOL     H3    3  -0.022062  -0.024792   0.344604
+    1SOL     O4    4  -0.030225   0.042412  -0.416705
+    1SOL     H5    5  -0.059747   0.008630  -0.501259
+    1SOL     H6    6  -0.046529  -0.029146  -0.355255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.251731   0.342649  -0.096457
+    0SOL     H2    2  -0.346781   0.346322  -0.085765
+    0SOL     H3    3  -0.237867   0.278308  -0.165958
+    1SOL     O4    4   0.253903  -0.336303   0.094139
+    1SOL     H5    5   0.253227  -0.429439   0.116219
+    1SOL     H6    6   0.283540  -0.292890   0.174134
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.313652   0.334723  -0.165376
+    0SOL     H2    2  -0.266905   0.405150  -0.210288
+    0SOL     H3    3  -0.291409   0.255825  -0.214799
+    1SOL     O4    4   0.314247  -0.331222   0.174188
+    1SOL     H5    5   0.262621  -0.285666   0.107692
+    1SOL     H6    6   0.292938  -0.423727   0.161903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106655   0.422326   0.240795
+    0SOL     H2    2  -0.178375   0.460917   0.291086
+    0SOL     H3    3  -0.141882   0.339378   0.208529
+    1SOL     O4    4   0.108349  -0.424805  -0.240586
+    1SOL     H5    5   0.180978  -0.392346  -0.187353
+    1SOL     H6    6   0.112178  -0.372655  -0.320761
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099608   0.432642  -0.241047
+    0SOL     H2    2   0.019134   0.457576  -0.286485
+    0SOL     H3    3   0.069628   0.386744  -0.162581
+    1SOL     O4    4  -0.099220  -0.428944   0.242017
+    1SOL     H5    5  -0.041656  -0.391565   0.175297
+    1SOL     H6    6  -0.062760  -0.515749   0.259273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.452147   0.209929   0.109909
+    0SOL     H2    2   0.503842   0.289211   0.124207
+    0SOL     H3    3   0.465765   0.157806   0.189030
+    1SOL     O4    4  -0.451944  -0.208763  -0.113140
+    1SOL     H5    5  -0.464006  -0.303557  -0.118693
+    1SOL     H6    6  -0.527138  -0.172230  -0.159761
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109693   0.184096   0.479856
+    0SOL     H2    2   0.161319   0.241146   0.422914
+    0SOL     H3    3   0.100486   0.233484   0.561331
+    1SOL     O4    4  -0.107310  -0.193844  -0.480138
+    1SOL     H5    5  -0.111320  -0.130889  -0.552130
+    1SOL     H6    6  -0.189039  -0.180607  -0.432101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003498   0.008229  -0.570281
+    0SOL     H2    2  -0.062863   0.013912  -0.501533
+    0SOL     H3    3   0.035872   0.097798  -0.579850
+    1SOL     O4    4  -0.003831  -0.018883   0.569113
+    1SOL     H5    5  -0.049402   0.047766   0.517698
+    1SOL     H6    6   0.083989   0.016849   0.582272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.516435   0.153919   0.178731
+    0SOL     H2    2  -0.475472   0.237541   0.200907
+    0SOL     H3    3  -0.610298   0.169763   0.188781
+    1SOL     O4    4   0.517960  -0.164470  -0.177562
+    1SOL     H5    5   0.465629  -0.084631  -0.170523
+    1SOL     H6    6   0.589245  -0.141270  -0.237080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.365306   0.382171  -0.549147
+    0SOL     H2    2  -0.443602   0.396460  -0.495971
+    0SOL     H3    3  -0.376231   0.293986  -0.584735
+    1SOL     O4    4   0.369475  -0.385068   0.548541
+    1SOL     H5    5   0.446950  -0.334220   0.572511
+    1SOL     H6    6   0.307460  -0.320127   0.515388
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.843477  -0.225804   0.042214
+    0SOL     H2    2   0.886042  -0.222410  -0.043454
+    0SOL     H3    3   0.822175  -0.318274   0.054780
+    1SOL     O4    4  -0.839451   0.234925  -0.040643
+    1SOL     H5    5  -0.902729   0.251494   0.029240
+    1SOL     H6    6  -0.859627   0.146342  -0.070781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041702  -0.980238   0.374868
+    0SOL     H2    2  -0.055316  -1.001266   0.467252
+    0SOL     H3    3  -0.031212  -1.065274   0.332193
+    1SOL     O4    4   0.037913   0.990126  -0.373546
+    1SOL     H5    5   0.130187   0.966071  -0.365229
+    1SOL     H6    6   0.009218   0.947605  -0.454360
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -1.018078   0.398168  -0.262409
+    0SOL     H2    2  -1.090269   0.392997  -0.325052
+    0SOL     H3    3  -1.048178   0.460385  -0.196187
+    1SOL     O4    4   1.028374  -0.407013   0.263437
+    1SOL     H5    5   0.941029  -0.403163   0.224470
+    1SOL     H6    6   1.048651  -0.316204   0.285907
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039610   0.837126  -0.766029
+    0SOL     H2    2  -0.030528   0.747584  -0.798619
+    0SOL     H3    3   0.042256   0.880100  -0.790798
+    1SOL     O4    4   0.029421  -0.831993   0.765683
+    1SOL     H5    5   0.041002  -0.831772   0.860699
+    1SOL     H6    6   0.107379  -0.876238   0.732108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014370  -0.120127   0.014439
+    0SOL     H2    2   0.057354  -0.181405   0.030655
+    0SOL     H3    3  -0.080602  -0.142896   0.079687
+    1SOL     O4    4   0.019394   0.126857  -0.017850
+    1SOL     H5    5  -0.050112   0.181230  -0.054930
+    1SOL     H6    6  -0.020917   0.040777  -0.006561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016793   0.115549   0.064245
+    0SOL     H2    2  -0.001345   0.026248   0.033438
+    0SOL     H3    3  -0.079349   0.152042   0.001657
+    1SOL     O4    4   0.017383  -0.109346  -0.053775
+    1SOL     H5    5   0.105656  -0.129553  -0.084788
+    1SOL     H6    6  -0.040468  -0.144601  -0.121397
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060418  -0.118318   0.021514
+    0SOL     H2    2   0.002106  -0.042494   0.025090
+    0SOL     H3    3   0.098543  -0.115156  -0.066229
+    1SOL     O4    4  -0.058602   0.113232  -0.011066
+    1SOL     H5    5  -0.137259   0.096861  -0.063098
+    1SOL     H6    6   0.005015   0.147468  -0.073859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073873   0.005101  -0.099796
+    0SOL     H2    2  -0.158015  -0.016115  -0.059393
+    0SOL     H3    3  -0.095699   0.027783  -0.190192
+    1SOL     O4    4   0.078830  -0.008434   0.108419
+    1SOL     H5    5   0.153336   0.048303   0.088620
+    1SOL     H6    6   0.027388  -0.009535   0.027705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112450   0.026685  -0.056871
+    0SOL     H2    2  -0.067423   0.041142  -0.140093
+    0SOL     H3    3  -0.181428   0.093025  -0.055065
+    1SOL     O4    4   0.117081  -0.029003   0.067914
+    1SOL     H5    5   0.032696  -0.004381   0.030029
+    1SOL     H6    6   0.150652  -0.097042   0.009553
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045820   0.031819   0.125950
+    0SOL     H2    2  -0.060689   0.126178   0.119824
+    0SOL     H3    3   0.016465   0.012735   0.055817
+    1SOL     O4    4   0.043154  -0.030891  -0.116539
+    1SOL     H5    5  -0.027790  -0.093926  -0.129024
+    1SOL     H6    6   0.110851  -0.058393  -0.178369
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056473   0.095374  -0.078761
+    0SOL     H2    2  -0.002397   0.049488  -0.014475
+    0SOL     H3    3   0.001025   0.162989  -0.114600
+    1SOL     O4    4   0.051077  -0.092409   0.070990
+    1SOL     H5    5   0.069580  -0.068163   0.161721
+    1SOL     H6    6   0.021045  -0.183155   0.076046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047108   0.115836  -0.031927
+    0SOL     H2    2   0.101899   0.193245  -0.018963
+    0SOL     H3    3  -0.030157   0.148564  -0.077986
+    1SOL     O4    4  -0.050966  -0.121222   0.036635
+    1SOL     H5    5  -0.011435  -0.204503   0.010870
+    1SOL     H6    6   0.010743  -0.054830   0.005873
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068490  -0.028428  -0.118500
+    0SOL     H2    2   0.090006   0.062758  -0.138109
+    0SOL     H3    3   0.028530  -0.025498  -0.031570
+    1SOL     O4    4  -0.064831   0.022847   0.108580
+    1SOL     H5    5  -0.021753   0.007164   0.192607
+    1SOL     H6    6  -0.157110   0.035145   0.130845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112676  -0.062946  -0.005686
+    0SOL     H2    2  -0.102215  -0.157949  -0.010917
+    0SOL     H3    3  -0.205622  -0.048045  -0.023046
+    1SOL     O4    4   0.117771   0.073530   0.005751
+    1SOL     H5    5   0.190435   0.012209   0.016799
+    1SOL     H6    6   0.039244   0.019967   0.017009
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014788  -0.102333   0.081783
+    0SOL     H2    2  -0.034701  -0.184252   0.036450
+    0SOL     H3    3  -0.090565  -0.087121   0.138253
+    1SOL     O4    4   0.013886   0.107237  -0.083404
+    1SOL     H5    5   0.092289   0.158421  -0.103293
+    1SOL     H6    6   0.046768   0.029589  -0.038106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002530  -0.069791   0.120658
+    0SOL     H2    2   0.010796  -0.004365   0.052072
+    0SOL     H3    3   0.079538  -0.069974   0.169923
+    1SOL     O4    4  -0.001113   0.063777  -0.113055
+    1SOL     H5    5  -0.079710   0.035755  -0.159955
+    1SOL     H6    6   0.042277   0.124450  -0.173043
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.100438  -0.047181  -0.076311
+    0SOL     H2    2   0.088609  -0.142001  -0.070680
+    0SOL     H3    3   0.175297  -0.028921  -0.019523
+    1SOL     O4    4  -0.103245   0.054822   0.078846
+    1SOL     H5    5  -0.182984   0.033164   0.030526
+    1SOL     H6    6  -0.032243   0.020486   0.024606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076514  -0.050830  -0.105444
+    0SOL     H2    2  -0.105083  -0.140891  -0.090108
+    0SOL     H3    3  -0.018722  -0.031104  -0.031733
+    1SOL     O4    4   0.077601   0.055368   0.094484
+    1SOL     H5    5   0.081780  -0.025861   0.144949
+    1SOL     H6    6   0.028735   0.115829   0.150330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010341   0.089830  -0.096932
+    0SOL     H2    2  -0.088613   0.144365  -0.089072
+    0SOL     H3    3  -0.006784   0.066172  -0.189614
+    1SOL     O4    4   0.014043  -0.098306   0.104824
+    1SOL     H5    5   0.000561  -0.076124   0.012691
+    1SOL     H6    6   0.033690  -0.014665   0.147019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050539  -0.122745  -0.012392
+    0SOL     H2    2  -0.144301  -0.116608  -0.030653
+    0SOL     H3    3  -0.020659  -0.196953  -0.064954
+    1SOL     O4    4   0.058379   0.131656   0.014677
+    1SOL     H5    5   0.083246   0.039400   0.020401
+    1SOL     H6    6  -0.034744   0.132827   0.036790
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033524   0.101762  -0.082210
+    0SOL     H2    2   0.043861   0.115766  -0.136778
+    0SOL     H3    3  -0.050663   0.187156  -0.042505
+    1SOL     O4    4   0.035978  -0.106698   0.085839
+    1SOL     H5    5   0.003147  -0.056950   0.010942
+    1SOL     H6    6  -0.033945  -0.168939   0.105818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005954   0.127285  -0.041448
+    0SOL     H2    2  -0.006571   0.176276   0.040783
+    0SOL     H3    3  -0.045477   0.186810  -0.105143
+    1SOL     O4    4   0.004771  -0.132728   0.046491
+    1SOL     H5    5   0.016964  -0.063065  -0.018012
+    1SOL     H6    6   0.046992  -0.209247   0.007445
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014352  -0.139968  -0.026107
+    0SOL     H2    2   0.034558  -0.046422  -0.027887
+    0SOL     H3    3  -0.052737  -0.151314  -0.093432
+    1SOL     O4    4  -0.011676   0.129221   0.032496
+    1SOL     H5    5   0.062684   0.178748  -0.001855
+    1SOL     H6    6  -0.086458   0.188111   0.022394
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065979   0.042797   0.109224
+    0SOL     H2    2  -0.025903  -0.024840   0.163826
+    0SOL     H3    3  -0.154225   0.053203   0.144814
+    1SOL     O4    4   0.067291  -0.039445  -0.121975
+    1SOL     H5    5   0.145487  -0.073020  -0.078151
+    1SOL     H6    6   0.013491  -0.003954  -0.051206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034560   0.129648   0.011164
+    0SOL     H2    2   0.059325   0.148865   0.101606
+    0SOL     H3    3   0.076521   0.198542  -0.040364
+    1SOL     O4    4  -0.036031  -0.140256  -0.016415
+    1SOL     H5    5  -0.033710  -0.051804  -0.052929
+    1SOL     H6    6  -0.082769  -0.130741   0.066575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065546   0.130650  -0.014043
+    0SOL     H2    2  -0.027371   0.048690   0.017384
+    0SOL     H3    3  -0.033370   0.139254  -0.103782
+    1SOL     O4    4   0.056153  -0.124835   0.013241
+    1SOL     H5    5   0.064197  -0.204227   0.066103
+    1SOL     H6    6   0.131581  -0.071528   0.038368
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118364   0.050328   0.067687
+    0SOL     H2    2   0.037315   0.002828   0.049326
+    0SOL     H3    3   0.093847   0.114912   0.133945
+    1SOL     O4    4  -0.111361  -0.044583  -0.070172
+    1SOL     H5    5  -0.085684  -0.102961  -0.141551
+    1SOL     H6    6  -0.147475  -0.102827  -0.003345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127173  -0.024636  -0.052003
+    0SOL     H2    2  -0.156922   0.032631  -0.122698
+    0SOL     H3    3  -0.128088  -0.112394  -0.090214
+    1SOL     O4    4   0.127028   0.032088   0.062299
+    1SOL     H5    5   0.213741  -0.007601   0.054069
+    1SOL     H6    6   0.070918  -0.020873   0.005649
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083753  -0.119255   0.028738
+    0SOL     H2    2  -0.030855  -0.039580   0.024731
+    0SOL     H3    3  -0.164555  -0.092245   0.072371
+    1SOL     O4    4   0.079859   0.114982  -0.027013
+    1SOL     H5    5   0.104853   0.146792  -0.113764
+    1SOL     H6    6   0.143104   0.045780  -0.007686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088870  -0.069436  -0.100587
+    0SOL     H2    2  -0.002076  -0.063561  -0.071318
+    0SOL     H3    3   0.137628  -0.015403  -0.038414
+    1SOL     O4    4  -0.080183   0.064875   0.094609
+    1SOL     H5    5  -0.136503   0.020191   0.157805
+    1SOL     H6    6  -0.137147   0.129854   0.053438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095888  -0.085913   0.069901
+    0SOL     H2    2   0.115437  -0.062852  -0.020920
+    0SOL     H3    3   0.062326  -0.175435   0.065239
+    1SOL     O4    4  -0.090577   0.089395  -0.070282
+    1SOL     H5    5  -0.080355   0.048045   0.015438
+    1SOL     H6    6  -0.181030   0.120696  -0.071195
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032339  -0.011052  -0.137373
+    0SOL     H2    2  -0.059558   0.015652  -0.135315
+    0SOL     H3    3   0.049891  -0.029560  -0.229632
+    1SOL     O4    4  -0.035055   0.009098   0.144611
+    1SOL     H5    5   0.027499   0.063034   0.192987
+    1SOL     H6    6   0.012142  -0.017431   0.065674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127083   0.008115   0.080212
+    0SOL     H2    2   0.050238  -0.007979   0.025457
+    0SOL     H3    3   0.094818  -0.000338   0.169933
+    1SOL     O4    4  -0.113828  -0.007730  -0.081419
+    1SOL     H5    5  -0.164781   0.069166  -0.055862
+    1SOL     H6    6  -0.175868  -0.062865  -0.129100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043740   0.089440   0.114386
+    0SOL     H2    2   0.030709   0.049528   0.028366
+    0SOL     H3    3  -0.044708   0.108362   0.145710
+    1SOL     O4    4  -0.036648  -0.082808  -0.115059
+    1SOL     H5    5  -0.120241  -0.110884  -0.077826
+    1SOL     H6    6   0.026526  -0.147538  -0.083733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042171  -0.089743   0.101387
+    0SOL     H2    2  -0.000458  -0.104048   0.186344
+    0SOL     H3    3  -0.127174  -0.133128   0.108779
+    1SOL     O4    4   0.046254   0.093875  -0.113373
+    1SOL     H5    5   0.036736   0.009051  -0.070054
+    1SOL     H6    6   0.027905   0.158053  -0.044767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056736   0.132798   0.055452
+    0SOL     H2    2  -0.115568   0.070099   0.097523
+    0SOL     H3    3  -0.018443   0.084405  -0.017720
+    1SOL     O4    4   0.051386  -0.125901  -0.054266
+    1SOL     H5    5   0.115357  -0.081618  -0.110024
+    1SOL     H6    6   0.104200  -0.172052   0.010873
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080342  -0.104593  -0.066837
+    0SOL     H2    2   0.135999  -0.170503  -0.025356
+    0SOL     H3    3  -0.008944  -0.135543  -0.051593
+    1SOL     O4    4  -0.080236   0.114839   0.066366
+    1SOL     H5    5  -0.117022   0.074673  -0.012346
+    1SOL     H6    6  -0.003090   0.061880   0.086521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076459   0.054892   0.123435
+    0SOL     H2    2  -0.010027   0.065726   0.055378
+    0SOL     H3    3  -0.150174   0.013407   0.078631
+    1SOL     O4    4   0.078477  -0.050412  -0.110628
+    1SOL     H5    5   0.110066  -0.022333  -0.196511
+    1SOL     H6    6   0.022473  -0.125802  -0.129128
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123858  -0.058256  -0.073268
+    0SOL     H2    2  -0.065266  -0.009731  -0.131360
+    0SOL     H3    3  -0.067087  -0.090162  -0.003116
+    1SOL     O4    4   0.118127   0.054006   0.067075
+    1SOL     H5    5   0.129336   0.147449   0.084539
+    1SOL     H6    6   0.095446   0.016259   0.152063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047732  -0.037996   0.141798
+    0SOL     H2    2  -0.012470  -0.019171   0.054824
+    0SOL     H3    3   0.024100  -0.017713   0.201723
+    1SOL     O4    4   0.038463   0.035025  -0.134330
+    1SOL     H5    5   0.040768  -0.026687  -0.207464
+    1SOL     H6    6   0.091780   0.108934  -0.163606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101077  -0.090546  -0.076403
+    0SOL     H2    2   0.029102  -0.153392  -0.070726
+    0SOL     H3    3   0.058071  -0.005154  -0.080987
+    1SOL     O4    4  -0.089100   0.092638   0.074002
+    1SOL     H5    5  -0.105423   0.059419   0.162276
+    1SOL     H6    6  -0.165472   0.064885   0.023412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032446  -0.006315   0.156091
+    0SOL     H2    2  -0.051669  -0.042158   0.069442
+    0SOL     H3    3   0.018529   0.072787   0.138572
+    1SOL     O4    4   0.025223  -0.002035  -0.149213
+    1SOL     H5    5   0.118562  -0.007719  -0.128773
+    1SOL     H6    6   0.010719   0.090339  -0.169682
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027899  -0.119905   0.082703
+    0SOL     H2    2   0.029874  -0.196125   0.086594
+    0SOL     H3    3  -0.109049  -0.153232   0.044411
+    1SOL     O4    4   0.025735   0.130932  -0.084609
+    1SOL     H5    5  -0.010082   0.060044  -0.031182
+    1SOL     H6    6   0.120580   0.123218  -0.074257
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.117525  -0.071863   0.073860
+    0SOL     H2    2  -0.096577  -0.076800   0.167129
+    0SOL     H3    3  -0.044191  -0.023934   0.035297
+    1SOL     O4    4   0.113559   0.069760  -0.071338
+    1SOL     H5    5   0.032245   0.094766  -0.115212
+    1SOL     H6    6   0.171708   0.042468  -0.142304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063119   0.041671   0.127265
+    0SOL     H2    2   0.006742   0.063224   0.201558
+    0SOL     H3    3   0.151772   0.042595   0.163350
+    1SOL     O4    4  -0.071425  -0.047373  -0.137196
+    1SOL     H5    5  -0.018375   0.011884  -0.190456
+    1SOL     H6    6  -0.032786  -0.042156  -0.049776
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068093   0.124289   0.055399
+    0SOL     H2    2  -0.112115   0.204039   0.026001
+    0SOL     H3    3  -0.032039   0.146983   0.141116
+    1SOL     O4    4   0.069320  -0.138147  -0.058149
+    1SOL     H5    5   0.117448  -0.081489  -0.118447
+    1SOL     H6    6   0.010715  -0.078853  -0.011116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029689  -0.092087   0.133964
+    0SOL     H2    2   0.036093  -0.031680   0.168402
+    0SOL     H3    3  -0.037507  -0.068852   0.041436
+    1SOL     O4    4   0.027068   0.081676  -0.132015
+    1SOL     H5    5  -0.045765   0.140055  -0.153220
+    1SOL     H6    6   0.086483   0.135463  -0.079678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044404   0.143684   0.063708
+    0SOL     H2    2  -0.050574   0.150047   0.053664
+    0SOL     H3    3   0.075848   0.116103  -0.022391
+    1SOL     O4    4  -0.038887  -0.145141  -0.063935
+    1SOL     H5    5  -0.128257  -0.123430  -0.037402
+    1SOL     H6    6   0.015177  -0.119854   0.010899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096474   0.067192   0.113844
+    0SOL     H2    2  -0.107030  -0.010039   0.169400
+    0SOL     H3    3  -0.015194   0.051302   0.065851
+    1SOL     O4    4   0.091725  -0.059454  -0.107259
+    1SOL     H5    5   0.116616  -0.006769  -0.183200
+    1SOL     H6    6   0.076465  -0.147025  -0.142765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125616   0.060040  -0.085588
+    0SOL     H2    2   0.213640   0.022474  -0.087318
+    0SOL     H3    3   0.076128   0.002540  -0.027218
+    1SOL     O4    4  -0.121461  -0.053984   0.080572
+    1SOL     H5    5  -0.183553   0.014724   0.104783
+    1SOL     H6    6  -0.168856  -0.135697   0.096031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052622   0.141736   0.044523
+    0SOL     H2    2   0.027868   0.233024   0.059225
+    0SOL     H3    3   0.116696   0.122903   0.113095
+    1SOL     O4    4  -0.053735  -0.149581  -0.054069
+    1SOL     H5    5  -0.093302  -0.167353   0.031260
+    1SOL     H6    6  -0.026834  -0.057837  -0.049408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141117   0.074840   0.005961
+    0SOL     H2    2  -0.223479   0.048635   0.047097
+    0SOL     H3    3  -0.105295   0.141652   0.064401
+    1SOL     O4    4   0.143191  -0.083048  -0.016210
+    1SOL     H5    5   0.222040  -0.053107   0.029052
+    1SOL     H6    6   0.075027  -0.021688   0.011193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044092   0.142367  -0.080919
+    0SOL     H2    2  -0.011003   0.054694  -0.061403
+    0SOL     H3    3  -0.039640   0.188849   0.002639
+    1SOL     O4    4   0.045867  -0.136135   0.073500
+    1SOL     H5    5   0.028060  -0.169483   0.161439
+    1SOL     H6    6  -0.014743  -0.184002   0.016953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002249   0.148753  -0.091493
+    0SOL     H2    2   0.008810   0.056930  -0.117722
+    0SOL     H3    3  -0.052224   0.147399  -0.012796
+    1SOL     O4    4   0.004473  -0.143529   0.083285
+    1SOL     H5    5   0.013767  -0.088989   0.161396
+    1SOL     H6    6  -0.074820  -0.194766   0.099086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044450  -0.007654   0.167239
+    0SOL     H2    2  -0.033600  -0.030430   0.217753
+    0SOL     H3    3   0.050367  -0.075729   0.100209
+    1SOL     O4    4  -0.040709   0.018274  -0.163165
+    1SOL     H5    5   0.032054  -0.018946  -0.212989
+    1SOL     H6    6  -0.110695  -0.046577  -0.170821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134977  -0.114965   0.046441
+    0SOL     H2    2  -0.065885  -0.052543   0.024259
+    0SOL     H3    3  -0.177212  -0.077542   0.123759
+    1SOL     O4    4   0.132659   0.102651  -0.047083
+    1SOL     H5    5   0.065515   0.163544  -0.077839
+    1SOL     H6    6   0.214500   0.151860  -0.053636
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.129210  -0.121312   0.051564
+    0SOL     H2    2  -0.108415  -0.055060  -0.014320
+    0SOL     H3    3  -0.069382  -0.193593   0.032629
+    1SOL     O4    4   0.118614   0.118760  -0.048479
+    1SOL     H5    5   0.155800   0.111566   0.039429
+    1SOL     H6    6   0.181030   0.173114  -0.096565
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124598   0.119392   0.065049
+    0SOL     H2    2   0.067146   0.050934   0.030770
+    0SOL     H3    3   0.067651   0.173208   0.120033
+    1SOL     O4    4  -0.119208  -0.115093  -0.071763
+    1SOL     H5    5  -0.060668  -0.188899  -0.054790
+    1SOL     H6    6  -0.169281  -0.105066   0.009197
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108784  -0.096467   0.095093
+    0SOL     H2    2   0.151290  -0.167042   0.046362
+    0SOL     H3    3   0.147073  -0.101338   0.182686
+    1SOL     O4    4  -0.113963   0.105408  -0.091273
+    1SOL     H5    5  -0.179799   0.094640  -0.159917
+    1SOL     H6    6  -0.042550   0.047165  -0.117163
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103632   0.096258   0.124896
+    0SOL     H2    2  -0.096279   0.093829   0.029489
+    0SOL     H3    3  -0.013439   0.105133   0.155698
+    1SOL     O4    4   0.099457  -0.095470  -0.113775
+    1SOL     H5    5   0.164003  -0.099251  -0.184357
+    1SOL     H6    6   0.015427  -0.109845  -0.157302
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032594  -0.174959  -0.066231
+    0SOL     H2    2   0.000585  -0.102929  -0.119834
+    0SOL     H3    3  -0.021113  -0.145021   0.023959
+    1SOL     O4    4   0.034429   0.164884   0.066439
+    1SOL     H5    5   0.062345   0.252281   0.039148
+    1SOL     H6    6  -0.061070   0.167207   0.060366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146389   0.070376  -0.081709
+    0SOL     H2    2  -0.102040   0.008520  -0.139754
+    0SOL     H3    3  -0.239625   0.054718  -0.096683
+    1SOL     O4    4   0.149264  -0.063093   0.080332
+    1SOL     H5    5   0.094145  -0.041327   0.155502
+    1SOL     H6    6   0.210361  -0.128836   0.113609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081115   0.157765  -0.083376
+    0SOL     H2    2   0.099325   0.076605  -0.130745
+    0SOL     H3    3   0.101923   0.137504   0.007831
+    1SOL     O4    4  -0.083144  -0.153279   0.073680
+    1SOL     H5    5  -0.016854  -0.110820   0.128134
+    1SOL     H6    6  -0.154967  -0.172543   0.133951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.129964  -0.151738  -0.010097
+    0SOL     H2    2  -0.174553  -0.075884  -0.047786
+    0SOL     H3    3  -0.060857  -0.114265   0.044513
+    1SOL     O4    4   0.131647   0.144529   0.003086
+    1SOL     H5    5   0.073866   0.216470   0.028549
+    1SOL     H6    6   0.133462   0.086988   0.079558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065755   0.037781  -0.178732
+    0SOL     H2    2   0.126737   0.004247  -0.244451
+    0SOL     H3    3   0.098619   0.003319  -0.095698
+    1SOL     O4    4  -0.064204  -0.033180   0.176489
+    1SOL     H5    5  -0.109947  -0.019422   0.259439
+    1SOL     H6    6  -0.133251  -0.057217   0.114707
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.174245  -0.054672   0.079174
+    0SOL     H2    2   0.098663  -0.043076   0.136751
+    0SOL     H3    3   0.149391  -0.126621   0.021141
+    1SOL     O4    4  -0.174215   0.061900  -0.076594
+    1SOL     H5    5  -0.089185   0.095299  -0.105171
+    1SOL     H6    6  -0.168196  -0.032821  -0.089003
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127757  -0.032995   0.158693
+    0SOL     H2    2   0.104160  -0.121071   0.129570
+    0SOL     H3    3   0.175565   0.004701   0.084830
+    1SOL     O4    4  -0.125720   0.042057  -0.152049
+    1SOL     H5    5  -0.217906   0.020455  -0.137999
+    1SOL     H6    6  -0.086780  -0.039042  -0.184745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140010  -0.142899   0.079279
+    0SOL     H2    2   0.091492  -0.157128  -0.001997
+    0SOL     H3    3   0.100989  -0.064070   0.117036
+    1SOL     O4    4  -0.132154   0.134245  -0.071986
+    1SOL     H5    5  -0.224012   0.152515  -0.091751
+    1SOL     H6    6  -0.083149   0.195187  -0.127186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084782   0.153018   0.129505
+    0SOL     H2    2  -0.146149   0.086230   0.160097
+    0SOL     H3    3  -0.021364   0.161738   0.200670
+    1SOL     O4    4   0.078944  -0.148860  -0.130998
+    1SOL     H5    5   0.072487  -0.181302  -0.220821
+    1SOL     H6    6   0.172430  -0.133051  -0.117855
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024666   0.121922   0.172279
+    0SOL     H2    2  -0.027413   0.093222   0.263554
+    0SOL     H3    3  -0.046849   0.214973   0.175702
+    1SOL     O4    4   0.029660  -0.131787  -0.178330
+    1SOL     H5    5  -0.062783  -0.114672  -0.196320
+    1SOL     H6    6   0.064635  -0.047311  -0.149994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098096   0.171719   0.109468
+    0SOL     H2    2  -0.146167   0.139452   0.185694
+    0SOL     H3    3  -0.030949   0.105374   0.093593
+    1SOL     O4    4   0.093091  -0.169040  -0.117828
+    1SOL     H5    5   0.142270  -0.086934  -0.119317
+    1SOL     H6    6   0.108445  -0.204628  -0.030306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.166535  -0.028898  -0.137917
+    0SOL     H2    2   0.194972  -0.113743  -0.171903
+    0SOL     H3    3   0.240922   0.002520  -0.086518
+    1SOL     O4    4  -0.174202   0.027315   0.140646
+    1SOL     H5    5  -0.194646   0.036928   0.047630
+    1SOL     H6    6  -0.135360   0.111202   0.165475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043333  -0.077213  -0.211772
+    0SOL     H2    2  -0.095998   0.001692  -0.199015
+    0SOL     H3    3   0.044651  -0.052155  -0.183607
+    1SOL     O4    4   0.042259   0.073694   0.203566
+    1SOL     H5    5   0.080859  -0.004930   0.242175
+    1SOL     H6    6  -0.017640   0.106450   0.270659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061839   0.130171  -0.180312
+    0SOL     H2    2   0.076857   0.036188  -0.170108
+    0SOL     H3    3   0.071283   0.145923  -0.274254
+    1SOL     O4    4  -0.061093  -0.122465   0.179662
+    1SOL     H5    5  -0.147104  -0.126602   0.221462
+    1SOL     H6    6  -0.005983  -0.180309   0.232381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065814   0.219457   0.058894
+    0SOL     H2    2  -0.020124   0.223397  -0.025125
+    0SOL     H3    3  -0.158455   0.227628   0.036239
+    1SOL     O4    4   0.065050  -0.222909  -0.058267
+    1SOL     H5    5   0.033981  -0.205001   0.030482
+    1SOL     H6    6   0.155562  -0.191772  -0.058748
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.230111  -0.058828   0.116132
+    0SOL     H2    2  -0.237811  -0.013274   0.199964
+    0SOL     H3    3  -0.296403  -0.017994   0.060452
+    1SOL     O4    4   0.231933   0.060376  -0.122208
+    1SOL     H5    5   0.219486  -0.034256  -0.129432
+    1SOL     H6    6   0.265470   0.073469  -0.033516
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.216450   0.168702   0.051305
+    0SOL     H2    2   0.165457   0.096812   0.088642
+    0SOL     H3    3   0.273741   0.197027   0.122563
+    1SOL     O4    4  -0.217328  -0.168748  -0.062993
+    1SOL     H5    5  -0.264874  -0.190796   0.017104
+    1SOL     H6    6  -0.155580  -0.100661  -0.036278
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000771   0.156101  -0.238740
+    0SOL     H2    2   0.090328   0.180328  -0.222119
+    0SOL     H3    3  -0.034456   0.129295  -0.153246
+    1SOL     O4    4  -0.005588  -0.160877   0.230552
+    1SOL     H5    5   0.077079  -0.161848   0.278796
+    1SOL     H6    6  -0.028771  -0.068203   0.224525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115758   0.237673   0.116966
+    0SOL     H2    2  -0.137035   0.194900   0.199912
+    0SOL     H3    3  -0.112811   0.166318   0.053231
+    1SOL     O4    4   0.117179  -0.233310  -0.124045
+    1SOL     H5    5   0.103043  -0.146376  -0.086563
+    1SOL     H6    6   0.123554  -0.291388  -0.048225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011397  -0.012473  -0.291131
+    0SOL     H2    2  -0.077167   0.023836  -0.291771
+    0SOL     H3    3   0.068561   0.063497  -0.302231
+    1SOL     O4    4  -0.012495   0.008972   0.286597
+    1SOL     H5    5   0.070488   0.031421   0.328695
+    1SOL     H6    6  -0.044921  -0.066279   0.336077
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.089038   0.284667  -0.166117
+    0SOL     H2    2   0.127475   0.367829  -0.193847
+    0SOL     H3    3  -0.001792   0.289061  -0.195999
+    1SOL     O4    4  -0.081599  -0.291407   0.165292
+    1SOL     H5    5  -0.175430  -0.308185   0.156542
+    1SOL     H6    6  -0.073156  -0.245216   0.248704
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089731   0.265525   0.261592
+    0SOL     H2    2  -0.128534   0.194435   0.312610
+    0SOL     H3    3  -0.011804   0.226734   0.221780
+    1SOL     O4    4   0.086850  -0.265336  -0.258162
+    1SOL     H5    5   0.097254  -0.258582  -0.353075
+    1SOL     H6    6   0.087317  -0.174676  -0.227456
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.193218   0.017753  -0.335645
+    0SOL     H2    2   0.139063   0.033220  -0.258248
+    0SOL     H3    3   0.276300  -0.014519  -0.300744
+    1SOL     O4    4  -0.190919  -0.021961   0.333319
+    1SOL     H5    5  -0.271084   0.022967   0.360102
+    1SOL     H6    6  -0.168587   0.017116   0.248840
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128185  -0.113009   0.439327
+    0SOL     H2    2  -0.058083  -0.060505   0.477944
+    0SOL     H3    3  -0.165640  -0.161054   0.513159
+    1SOL     O4    4   0.130380   0.111854  -0.451983
+    1SOL     H5    5   0.040591   0.079987  -0.442773
+    1SOL     H6    6   0.147713   0.158703  -0.370331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.340035   0.221724   0.250266
+    0SOL     H2    2  -0.368983   0.217198   0.159140
+    0SOL     H3    3  -0.338750   0.315289   0.270420
+    1SOL     O4    4   0.345795  -0.227462  -0.240837
+    1SOL     H5    5   0.363792  -0.254971  -0.330735
+    1SOL     H6    6   0.256246  -0.193757  -0.243526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.393880  -0.014414  -0.279837
+    0SOL     H2    2  -0.443899  -0.090145  -0.249418
+    0SOL     H3    3  -0.343027   0.012988  -0.203513
+    1SOL     O4    4   0.394781   0.011672   0.271712
+    1SOL     H5    5   0.458611   0.082970   0.273863
+    1SOL     H6    6   0.318025   0.046807   0.316837
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.130748  -0.450105  -0.118611
+    0SOL     H2    2   0.185552  -0.487784  -0.187452
+    0SOL     H3    3   0.077760  -0.384220  -0.163486
+    1SOL     O4    4  -0.129365   0.454378   0.122005
+    1SOL     H5    5  -0.182675   0.444385   0.200875
+    1SOL     H6    6  -0.102410   0.365255   0.099806
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075461   0.302763   0.380953
+    0SOL     H2    2  -0.089400   0.221642   0.429814
+    0SOL     H3    3   0.012114   0.293446   0.343454
+    1SOL     O4    4   0.072292  -0.300452  -0.375842
+    1SOL     H5    5   0.003086  -0.239946  -0.402524
+    1SOL     H6    6   0.124611  -0.313454  -0.454937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.447103   0.271564  -0.211456
+    0SOL     H2    2  -0.432028   0.189598  -0.258537
+    0SOL     H3    3  -0.520542   0.252553  -0.153081
+    1SOL     O4    4   0.451462  -0.266850   0.216820
+    1SOL     H5    5   0.491349  -0.192562   0.171513
+    1SOL     H6    6   0.404523  -0.314381   0.148264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.240671  -0.268886  -0.485121
+    0SOL     H2    2  -0.176259  -0.304962  -0.424195
+    0SOL     H3    3  -0.202645  -0.283580  -0.571726
+    1SOL     O4    4   0.238043   0.271852   0.492075
+    1SOL     H5    5   0.277602   0.262930   0.405369
+    1SOL     H6    6   0.143812   0.273802   0.475376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.340298   0.510252   0.264308
+    0SOL     H2    2   0.433566   0.517476   0.284585
+    0SOL     H3    3   0.297804   0.501419   0.349623
+    1SOL     O4    4  -0.348711  -0.508104  -0.273097
+    1SOL     H5    5  -0.269110  -0.544894  -0.311469
+    1SOL     H6    6  -0.332111  -0.508069  -0.178828
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.698929   0.263012   0.100812
+    0SOL     H2    2  -0.687334   0.175217   0.137144
+    0SOL     H3    3  -0.788500   0.287123   0.124435
+    1SOL     O4    4   0.703265  -0.255684  -0.109037
+    1SOL     H5    5   0.756125  -0.255346  -0.029237
+    1SOL     H6    6   0.649023  -0.334196  -0.101561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.552719  -0.556679  -0.015912
+    0SOL     H2    2   0.625999  -0.511239  -0.057476
+    0SOL     H3    3   0.515322  -0.492095   0.044027
+    1SOL     O4    4  -0.554377   0.549610   0.020440
+    1SOL     H5    5  -0.544736   0.628447  -0.032984
+    1SOL     H6    6  -0.574041   0.480225  -0.042499
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.352853   0.727194   0.033302
+    0SOL     H2    2  -0.315150   0.790509  -0.027788
+    0SOL     H3    3  -0.286528   0.658578   0.040724
+    1SOL     O4    4   0.347261  -0.720571  -0.027083
+    1SOL     H5    5   0.361362  -0.739090  -0.119929
+    1SOL     H6    6   0.328238  -0.805945   0.011798
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059628   0.087440   0.050884
+    0SOL     H2    2  -0.100019   0.047138   0.127739
+    0SOL     H3    3  -0.116185   0.161871   0.030302
+    1SOL     O4    4   0.071121  -0.089135  -0.058182
+    1SOL     H5    5   0.023772  -0.170607  -0.041369
+    1SOL     H6    6   0.022915  -0.022748  -0.008874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018777   0.094645  -0.076947
+    0SOL     H2    2  -0.108353   0.108892  -0.107531
+    0SOL     H3    3   0.030947   0.075388  -0.156439
+    1SOL     O4    4   0.022960  -0.101042   0.082637
+    1SOL     H5    5   0.007718  -0.037259   0.012911
+    1SOL     H6    6   0.006616  -0.052538   0.163523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001349  -0.060613   0.118382
+    0SOL     H2    2  -0.019553  -0.009564   0.039484
+    0SOL     H3    3   0.091297  -0.044689   0.136424
+    1SOL     O4    4  -0.008404   0.057924  -0.110970
+    1SOL     H5    5   0.073789   0.106977  -0.111549
+    1SOL     H6    6   0.003965  -0.010409  -0.176848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043124   0.118955   0.044327
+    0SOL     H2    2  -0.006199   0.034984   0.016982
+    0SOL     H3    3  -0.088555   0.151624  -0.033334
+    1SOL     O4    4   0.038848  -0.114544  -0.042096
+    1SOL     H5    5   0.034511  -0.165927   0.038547
+    1SOL     H6    6   0.132333  -0.099173  -0.055760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016820   0.101473   0.084810
+    0SOL     H2    2   0.047470   0.118670   0.153610
+    0SOL     H3    3   0.024417   0.035149   0.029466
+    1SOL     O4    4   0.011900  -0.092870  -0.081985
+    1SOL     H5    5   0.012682  -0.182491  -0.048370
+    1SOL     H6    6  -0.010062  -0.102198  -0.174683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130836  -0.030651  -0.043211
+    0SOL     H2    2  -0.037394  -0.041214  -0.061079
+    0SOL     H3    3  -0.134375   0.006176   0.045070
+    1SOL     O4    4   0.121696   0.025674   0.043066
+    1SOL     H5    5   0.176300  -0.007099  -0.028395
+    1SOL     H6    6   0.131356   0.120816   0.038960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002667   0.114507   0.057038
+    0SOL     H2    2   0.068981   0.145015   0.112700
+    0SOL     H3    3  -0.077221   0.169219   0.081746
+    1SOL     O4    4   0.001876  -0.125086  -0.066448
+    1SOL     H5    5   0.059268  -0.126689   0.010141
+    1SOL     H6    6  -0.035586  -0.037001  -0.066526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024358   0.044322   0.125666
+    0SOL     H2    2  -0.002347  -0.019426   0.191889
+    0SOL     H3    3   0.113277   0.018216   0.101704
+    1SOL     O4    4  -0.028749  -0.035532  -0.133606
+    1SOL     H5    5  -0.012895  -0.003954  -0.044647
+    1SOL     H6    6  -0.029104  -0.130908  -0.125509
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106126  -0.078556  -0.008736
+    0SOL     H2    2   0.190211  -0.034313   0.002862
+    0SOL     H3    3   0.113184  -0.157831   0.044443
+    1SOL     O4    4  -0.111778   0.086133   0.002368
+    1SOL     H5    5  -0.177088   0.043852   0.058130
+    1SOL     H6    6  -0.040137   0.022869  -0.002888
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062168  -0.082697  -0.097081
+    0SOL     H2    2  -0.123265  -0.034933  -0.153188
+    0SOL     H3    3  -0.009061  -0.014518  -0.055928
+    1SOL     O4    4   0.064996   0.072770   0.092377
+    1SOL     H5    5   0.030379   0.038393   0.174731
+    1SOL     H6    6   0.058732   0.167844   0.101537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028902   0.104964   0.082062
+    0SOL     H2    2   0.108061   0.070300   0.040896
+    0SOL     H3    3   0.058349   0.137414   0.167164
+    1SOL     O4    4  -0.040746  -0.108703  -0.084216
+    1SOL     H5    5  -0.019987  -0.022125  -0.049064
+    1SOL     H6    6   0.037083  -0.133672  -0.134030
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093719  -0.031499  -0.089704
+    0SOL     H2    2   0.187681  -0.021244  -0.104813
+    0SOL     H3    3   0.062111  -0.079071  -0.166516
+    1SOL     O4    4  -0.097475   0.038238   0.100289
+    1SOL     H5    5  -0.029123   0.017440   0.036589
+    1SOL     H6    6  -0.170726  -0.018509   0.076279
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081277   0.078500  -0.090624
+    0SOL     H2    2   0.045151   0.027997  -0.017777
+    0SOL     H3    3   0.038602   0.163931  -0.084095
+    1SOL     O4    4  -0.079773  -0.076616   0.081887
+    1SOL     H5    5  -0.042552  -0.052333   0.166664
+    1SOL     H6    6  -0.063209  -0.170597   0.074437
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105151  -0.073596  -0.072235
+    0SOL     H2    2   0.038167  -0.072899  -0.003861
+    0SOL     H3    3   0.135596   0.017032  -0.076930
+    1SOL     O4    4  -0.096898   0.066181   0.071357
+    1SOL     H5    5  -0.178181   0.016195   0.063817
+    1SOL     H6    6  -0.117329   0.151226   0.032468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131626  -0.055676   0.032729
+    0SOL     H2    2   0.157349   0.021442   0.083261
+    0SOL     H3    3   0.052979  -0.028304  -0.014470
+    1SOL     O4    4  -0.121787   0.047935  -0.034559
+    1SOL     H5    5  -0.162243   0.133677  -0.047746
+    1SOL     H6    6  -0.190286  -0.004870   0.006449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122487   0.057930   0.051380
+    0SOL     H2    2   0.054506   0.022558  -0.005976
+    0SOL     H3    3   0.195928  -0.002705   0.041781
+    1SOL     O4    4  -0.122428  -0.047059  -0.052484
+    1SOL     H5    5  -0.138933  -0.040271   0.041558
+    1SOL     H6    6  -0.110038  -0.140701  -0.067977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.069670  -0.128524  -0.010797
+    0SOL     H2    2  -0.008509  -0.055004  -0.014871
+    0SOL     H3    3  -0.035618  -0.184217   0.059212
+    1SOL     O4    4   0.069353   0.124349   0.004030
+    1SOL     H5    5   0.062707   0.162845   0.091415
+    1SOL     H6    6  -0.018496   0.133343  -0.032902
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128437  -0.040642  -0.032449
+    0SOL     H2    2  -0.119689  -0.116167   0.025703
+    0SOL     H3    3  -0.204141  -0.061221  -0.087291
+    1SOL     O4    4   0.134845   0.051050   0.026863
+    1SOL     H5    5   0.174695   0.031381   0.111641
+    1SOL     H6    6   0.054702  -0.001267   0.025300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065994  -0.127475  -0.041043
+    0SOL     H2    2  -0.023621  -0.117863  -0.126334
+    0SOL     H3    3  -0.062540  -0.039914  -0.002526
+    1SOL     O4    4   0.062651   0.116103   0.039586
+    1SOL     H5    5   0.096338   0.202089   0.014407
+    1SOL     H6    6   0.040408   0.125232   0.132237
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052586   0.092429  -0.088569
+    0SOL     H2    2  -0.008740   0.134760  -0.148649
+    0SOL     H3    3   0.137998   0.102147  -0.130671
+    1SOL     O4    4  -0.051759  -0.100989   0.095326
+    1SOL     H5    5  -0.103909  -0.051764   0.158726
+    1SOL     H6    6  -0.045909  -0.043334   0.019142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125911  -0.036250   0.071073
+    0SOL     H2    2   0.043282  -0.009821   0.030623
+    0SOL     H3    3   0.104119  -0.050277   0.163217
+    1SOL     O4    4  -0.119440   0.031407  -0.068337
+    1SOL     H5    5  -0.144057   0.123904  -0.067553
+    1SOL     H6    6  -0.112141   0.009302  -0.161183
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039734   0.077870   0.112035
+    0SOL     H2    2   0.052907   0.127325   0.031146
+    0SOL     H3    3   0.048195   0.143023   0.181646
+    1SOL     O4    4  -0.040374  -0.087776  -0.118020
+    1SOL     H5    5  -0.086845  -0.008483  -0.091276
+    1SOL     H6    6  -0.004086  -0.122904  -0.036708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016901  -0.063498  -0.127613
+    0SOL     H2    2  -0.039646  -0.144829  -0.172672
+    0SOL     H3    3  -0.099599  -0.032640  -0.090585
+    1SOL     O4    4   0.017804   0.070020   0.128535
+    1SOL     H5    5   0.077857   0.057110   0.055122
+    1SOL     H6    6   0.051094   0.012253   0.197216
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018216  -0.142298   0.015574
+    0SOL     H2    2   0.025483  -0.161420   0.098562
+    0SOL     H3    3  -0.110861  -0.134727   0.038422
+    1SOL     O4    4   0.016980   0.146044  -0.025583
+    1SOL     H5    5   0.028319   0.051823  -0.013087
+    1SOL     H6    6   0.075935   0.186000   0.038371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071080   0.114756   0.045184
+    0SOL     H2    2  -0.056065   0.194471  -0.005634
+    0SOL     H3    3  -0.036741   0.134956   0.132219
+    1SOL     O4    4   0.067347  -0.126629  -0.046610
+    1SOL     H5    5   0.132167  -0.080653  -0.099966
+    1SOL     H6    6   0.023383  -0.057369   0.002712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.147321   0.032834   0.021243
+    0SOL     H2    2  -0.138728   0.092130  -0.053407
+    0SOL     H3    3  -0.062481  -0.011131   0.026858
+    1SOL     O4    4   0.137204  -0.029774  -0.019818
+    1SOL     H5    5   0.153842  -0.121980  -0.039402
+    1SOL     H6    6   0.205961  -0.005636   0.042248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137276  -0.000420  -0.031734
+    0SOL     H2    2  -0.177526  -0.061165  -0.093800
+    0SOL     H3    3  -0.193928   0.076714  -0.033475
+    1SOL     O4    4   0.148130   0.003697   0.035047
+    1SOL     H5    5   0.132194  -0.064220   0.100588
+    1SOL     H6    6   0.073459  -0.002448  -0.024526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067416   0.108245   0.075336
+    0SOL     H2    2  -0.039907   0.018954   0.096138
+    0SOL     H3    3  -0.024591   0.162577   0.141490
+    1SOL     O4    4   0.063507  -0.100525  -0.076550
+    1SOL     H5    5   0.131414  -0.130796  -0.136838
+    1SOL     H6    6  -0.004866  -0.167297  -0.081934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093352   0.071417  -0.096826
+    0SOL     H2    2  -0.034579   0.057024  -0.170994
+    0SOL     H3    3  -0.076391  -0.002257  -0.038116
+    1SOL     O4    4   0.090492  -0.071072   0.095236
+    1SOL     H5    5   0.139572   0.011065   0.097883
+    1SOL     H6    6   0.009504  -0.052174   0.142628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006900  -0.103731   0.115266
+    0SOL     H2    2   0.011727  -0.130774   0.023572
+    0SOL     H3    3   0.042290  -0.014797   0.115952
+    1SOL     O4    4  -0.008006   0.094307  -0.112288
+    1SOL     H5    5   0.049995   0.169427  -0.099833
+    1SOL     H6    6  -0.090778   0.121009  -0.072313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113831   0.092153   0.012082
+    0SOL     H2    2   0.189620   0.069315  -0.041741
+    0SOL     H3    3   0.071220   0.163450  -0.035493
+    1SOL     O4    4  -0.120310  -0.091713  -0.010557
+    1SOL     H5    5  -0.024778  -0.092747  -0.016474
+    1SOL     H6    6  -0.140105  -0.143926   0.067188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136258  -0.021177   0.052365
+    0SOL     H2    2  -0.199643   0.048794   0.068138
+    0SOL     H3    3  -0.158064  -0.054106  -0.034827
+    1SOL     O4    4   0.144180   0.023486  -0.050521
+    1SOL     H5    5   0.051060   0.003035  -0.059051
+    1SOL     H6    6   0.180138  -0.049156   0.000395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006270  -0.014158   0.154480
+    0SOL     H2    2   0.033057   0.068321   0.182994
+    0SOL     H3    3   0.004953  -0.014497   0.059421
+    1SOL     O4    4   0.006931   0.005167  -0.147378
+    1SOL     H5    5   0.024088   0.098241  -0.161702
+    1SOL     H6    6  -0.075607  -0.011314  -0.192965
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030291   0.146845   0.010264
+    0SOL     H2    2   0.084231   0.133048   0.088126
+    0SOL     H3    3  -0.057393   0.164090   0.044562
+    1SOL     O4    4  -0.023436  -0.149087  -0.012476
+    1SOL     H5    5  -0.092893  -0.198965  -0.055489
+    1SOL     H6    6  -0.031103  -0.060915  -0.048933
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078716   0.126125   0.031407
+    0SOL     H2    2   0.160670   0.145998  -0.013880
+    0SOL     H3    3   0.097820   0.047185   0.082062
+    1SOL     O4    4  -0.089735  -0.125647  -0.035175
+    1SOL     H5    5  -0.042952  -0.154178   0.043309
+    1SOL     H6    6  -0.051839  -0.040249  -0.055989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054148  -0.016715   0.140335
+    0SOL     H2    2  -0.040793   0.077959   0.135766
+    0SOL     H3    3  -0.149222  -0.027658   0.138467
+    1SOL     O4    4   0.063870   0.014793  -0.143899
+    1SOL     H5    5   0.044252  -0.075644  -0.119432
+    1SOL     H6    6  -0.004292   0.066570  -0.101057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080002   0.087828   0.093236
+    0SOL     H2    2  -0.134208   0.138761   0.032987
+    0SOL     H3    3  -0.133746   0.011796   0.115441
+    1SOL     O4    4   0.085613  -0.093009  -0.090437
+    1SOL     H5    5   0.084159  -0.028952  -0.019325
+    1SOL     H6    6   0.103252  -0.041251  -0.169001
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040184  -0.088189   0.125145
+    0SOL     H2    2   0.114346  -0.070680   0.067217
+    0SOL     H3    3  -0.035105  -0.094818   0.066409
+    1SOL     O4    4  -0.039992   0.094207  -0.115521
+    1SOL     H5    5   0.007429   0.060219  -0.191405
+    1SOL     H6    6  -0.090348   0.019475  -0.083245
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113652   0.096758  -0.036158
+    0SOL     H2    2   0.063988   0.151777  -0.096728
+    0SOL     H3    3   0.133338   0.017612  -0.086265
+    1SOL     O4    4  -0.114586  -0.102301   0.042638
+    1SOL     H5    5  -0.045409  -0.070925  -0.015606
+    1SOL     H6    6  -0.140215  -0.025165   0.093191
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.143598  -0.020217  -0.045786
+    0SOL     H2    2   0.219898   0.014701   0.000272
+    0SOL     H3    3   0.168723  -0.109448  -0.069636
+    1SOL     O4    4  -0.152867   0.020890   0.039247
+    1SOL     H5    5  -0.063073   0.054022   0.037972
+    1SOL     H6    6  -0.183251   0.037338   0.128514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063565   0.050787   0.132171
+    0SOL     H2    2   0.027462   0.064302   0.158511
+    0SOL     H3    3  -0.109458   0.030867   0.213776
+    1SOL     O4    4   0.068015  -0.048123  -0.138008
+    1SOL     H5    5  -0.000999  -0.038873  -0.072329
+    1SOL     H6    6   0.026405  -0.095481  -0.210037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033957  -0.154288   0.013250
+    0SOL     H2    2   0.118574  -0.198258   0.021551
+    0SOL     H3    3   0.026135  -0.102029   0.093063
+    1SOL     O4    4  -0.044496   0.154113  -0.017307
+    1SOL     H5    5   0.018323   0.098640   0.028941
+    1SOL     H6    6   0.008849   0.205117  -0.078260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114948   0.105613   0.042135
+    0SOL     H2    2  -0.170493   0.092998   0.119063
+    0SOL     H3    3  -0.074238   0.020199   0.027662
+    1SOL     O4    4   0.118520  -0.104225  -0.041104
+    1SOL     H5    5   0.039655  -0.119981  -0.093010
+    1SOL     H6    6   0.146857  -0.016411  -0.066558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127417   0.097214   0.000675
+    0SOL     H2    2   0.044348   0.115751  -0.043122
+    0SOL     H3    3   0.139363   0.170251   0.061381
+    1SOL     O4    4  -0.127503  -0.102977  -0.007126
+    1SOL     H5    5  -0.140252  -0.063126   0.078965
+    1SOL     H6    6  -0.039723  -0.140948  -0.003233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067446  -0.095159   0.115980
+    0SOL     H2    2  -0.050414  -0.033937   0.044398
+    0SOL     H3    3  -0.134116  -0.154523   0.081436
+    1SOL     O4    4   0.073994   0.089443  -0.112179
+    1SOL     H5    5   0.002551   0.127344  -0.163381
+    1SOL     H6    6   0.078917   0.144081  -0.033739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.117780  -0.099118  -0.056925
+    0SOL     H2    2  -0.046581  -0.133940  -0.110594
+    0SOL     H3    3  -0.136567  -0.013229  -0.094774
+    1SOL     O4    4   0.118441   0.090921   0.064362
+    1SOL     H5    5   0.035384   0.086171   0.017019
+    1SOL     H6    6   0.133433   0.184586   0.077184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066860  -0.086277  -0.124447
+    0SOL     H2    2   0.125345  -0.099766  -0.049883
+    0SOL     H3    3  -0.014392  -0.130294  -0.099487
+    1SOL     O4    4  -0.069140   0.094144   0.117048
+    1SOL     H5    5  -0.017758   0.032383   0.065012
+    1SOL     H6    6  -0.054352   0.067253   0.207714
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003878   0.061309  -0.158707
+    0SOL     H2    2  -0.014140   0.001545  -0.086140
+    0SOL     H3    3  -0.016705   0.010597  -0.237237
+    1SOL     O4    4  -0.000147  -0.058427   0.153927
+    1SOL     H5    5   0.034793   0.023502   0.188987
+    1SOL     H6    6  -0.067039  -0.084950   0.217049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029643  -0.170634  -0.028523
+    0SOL     H2    2  -0.034560  -0.144759   0.063502
+    0SOL     H3    3  -0.088718  -0.110303  -0.073606
+    1SOL     O4    4   0.037015   0.170151   0.022726
+    1SOL     H5    5   0.062313   0.112151   0.094547
+    1SOL     H6    6  -0.054160   0.147413   0.004493
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068254  -0.116705   0.108275
+    0SOL     H2    2   0.067720  -0.093213   0.201066
+    0SOL     H3    3   0.072149  -0.212344   0.107755
+    1SOL     O4    4  -0.064104   0.124156  -0.116417
+    1SOL     H5    5  -0.154907   0.147901  -0.097626
+    1SOL     H6    6  -0.052687   0.038497  -0.075251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089674  -0.106726   0.117304
+    0SOL     H2    2  -0.072261  -0.125417   0.209552
+    0SOL     H3    3  -0.092263  -0.011175   0.112251
+    1SOL     O4    4   0.090392   0.102507  -0.116526
+    1SOL     H5    5   0.145680   0.090510  -0.193738
+    1SOL     H6    6   0.001814   0.111680  -0.151627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044500  -0.178043  -0.024371
+    0SOL     H2    2   0.060866  -0.248903   0.037865
+    0SOL     H3    3   0.037550  -0.099529   0.029939
+    1SOL     O4    4  -0.042809   0.182328   0.013003
+    1SOL     H5    5  -0.131670   0.172606   0.047231
+    1SOL     H6    6   0.007863   0.114924   0.058295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102620   0.122037   0.097960
+    0SOL     H2    2  -0.085611   0.070380   0.019191
+    0SOL     H3    3  -0.084367   0.212305   0.071868
+    1SOL     O4    4   0.103331  -0.119756  -0.088426
+    1SOL     H5    5   0.073424  -0.106425  -0.178371
+    1SOL     H6    6   0.089684  -0.213096  -0.072183
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.155806  -0.102961   0.038967
+    0SOL     H2    2  -0.146506  -0.154624  -0.041076
+    0SOL     H3    3  -0.066282  -0.092108   0.071062
+    1SOL     O4    4   0.150524   0.099534  -0.033099
+    1SOL     H5    5   0.101496   0.114373  -0.113960
+    1SOL     H6    6   0.183245   0.186100  -0.008645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.090486   0.161434  -0.008556
+    0SOL     H2    2  -0.134017   0.195927   0.069403
+    0SOL     H3    3  -0.158324   0.111183  -0.053668
+    1SOL     O4    4   0.101660  -0.161189   0.011022
+    1SOL     H5    5   0.033364  -0.223037  -0.014917
+    1SOL     H6    6   0.086541  -0.084298  -0.043948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.184021  -0.031730   0.030714
+    0SOL     H2    2  -0.236618  -0.016250  -0.047748
+    0SOL     H3    3  -0.156075   0.055511   0.058470
+    1SOL     O4    4   0.189532   0.020056  -0.028318
+    1SOL     H5    5   0.202462   0.107052  -0.066092
+    1SOL     H6    6   0.107065   0.026803   0.019807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.182019  -0.042525   0.011963
+    0SOL     H2    2   0.255301  -0.028504   0.071926
+    0SOL     H3    3   0.217751  -0.022820  -0.074623
+    1SOL     O4    4  -0.193288   0.035987  -0.009660
+    1SOL     H5    5  -0.103205   0.030563   0.022244
+    1SOL     H6    6  -0.197651   0.120158  -0.055032
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077126  -0.174759  -0.069147
+    0SOL     H2    2   0.171898  -0.178817  -0.081957
+    0SOL     H3    3   0.064818  -0.107468  -0.002194
+    1SOL     O4    4  -0.076771   0.167846   0.068216
+    1SOL     H5    5  -0.077438   0.239798   0.005090
+    1SOL     H6    6  -0.168784   0.155541   0.091551
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000983  -0.025567   0.198348
+    0SOL     H2    2  -0.006660  -0.033667   0.293555
+    0SOL     H3    3  -0.090015  -0.042390   0.167481
+    1SOL     O4    4   0.006302   0.020301  -0.201638
+    1SOL     H5    5   0.060443   0.080809  -0.252332
+    1SOL     H6    6  -0.053817   0.076797  -0.153097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024199   0.186878  -0.074070
+    0SOL     H2    2  -0.067760   0.207330  -0.091032
+    0SOL     H3    3   0.063741   0.180269  -0.160990
+    1SOL     O4    4  -0.016706  -0.189320   0.081038
+    1SOL     H5    5  -0.042882  -0.131347   0.009510
+    1SOL     H6    6  -0.098673  -0.211365   0.125283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017930   0.051215   0.197117
+    0SOL     H2    2   0.019633  -0.008479   0.261831
+    0SOL     H3    3   0.027620   0.134136   0.211668
+    1SOL     O4    4   0.012784  -0.050803  -0.195470
+    1SOL     H5    5  -0.059812  -0.079972  -0.250618
+    1SOL     H6    6   0.089087  -0.052749  -0.253230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033632   0.040294   0.203087
+    0SOL     H2    2  -0.026136   0.120823   0.151889
+    0SOL     H3    3  -0.124159   0.039967   0.234185
+    1SOL     O4    4   0.034579  -0.041102  -0.206173
+    1SOL     H5    5   0.101125  -0.107124  -0.225537
+    1SOL     H6    6   0.030461  -0.038498  -0.110577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043084  -0.209247  -0.002820
+    0SOL     H2    2   0.042039  -0.236878  -0.036776
+    0SOL     H3    3  -0.072654  -0.141913  -0.064090
+    1SOL     O4    4   0.040588   0.209794   0.003322
+    1SOL     H5    5   0.108232   0.173326   0.060389
+    1SOL     H6    6  -0.041739   0.189782   0.047866
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070682  -0.185561   0.086884
+    0SOL     H2    2  -0.042499  -0.200757  -0.003323
+    0SOL     H3    3  -0.040771  -0.096830   0.106747
+    1SOL     O4    4   0.065598   0.187785  -0.084474
+    1SOL     H5    5   0.057759   0.111009  -0.141098
+    1SOL     H6    6   0.111899   0.155854  -0.007020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.131974   0.134202  -0.097577
+    0SOL     H2    2  -0.054639   0.142737  -0.041820
+    0SOL     H3    3  -0.196425   0.193142  -0.058406
+    1SOL     O4    4   0.137286  -0.142017   0.093757
+    1SOL     H5    5   0.135742  -0.050297   0.066418
+    1SOL     H6    6   0.045206  -0.164775   0.106630
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135131  -0.026148   0.163198
+    0SOL     H2    2  -0.145039  -0.011659   0.069101
+    0SOL     H3    3  -0.210639  -0.079814   0.187298
+    1SOL     O4    4   0.139359   0.034660  -0.159638
+    1SOL     H5    5   0.119128  -0.018563  -0.082694
+    1SOL     H6    6   0.175988  -0.027311  -0.222728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.164145   0.143805   0.007885
+    0SOL     H2    2   0.140244   0.103693  -0.075674
+    0SOL     H3    3   0.088921   0.198437   0.030667
+    1SOL     O4    4  -0.157972  -0.150113  -0.007550
+    1SOL     H5    5  -0.183223  -0.061957  -0.034994
+    1SOL     H6    6  -0.133960  -0.140600   0.084619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045518  -0.197703   0.068031
+    0SOL     H2    2  -0.073394  -0.275182   0.116839
+    0SOL     H3    3  -0.107856  -0.129641   0.093405
+    1SOL     O4    4   0.050199   0.203588  -0.076089
+    1SOL     H5    5   0.126270   0.146283  -0.066514
+    1SOL     H6    6  -0.015704   0.165933  -0.017770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.172859   0.047030  -0.125838
+    0SOL     H2    2   0.244922   0.070861  -0.067518
+    0SOL     H3    3   0.205875   0.065815  -0.213698
+    1SOL     O4    4  -0.180882  -0.044998   0.123522
+    1SOL     H5    5  -0.214593  -0.072392   0.208818
+    1SOL     H6    6  -0.106010  -0.102501   0.107713
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061253  -0.186731  -0.108619
+    0SOL     H2    2  -0.108014  -0.269334  -0.120958
+    0SOL     H3    3   0.007902  -0.207459  -0.045767
+    1SOL     O4    4   0.062455   0.187251   0.101833
+    1SOL     H5    5  -0.007289   0.179093   0.166882
+    1SOL     H6    6   0.088400   0.279299   0.105879
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032295   0.111086   0.203945
+    0SOL     H2    2  -0.060725   0.122568   0.223379
+    0SOL     H3    3   0.042995   0.016625   0.192767
+    1SOL     O4    4  -0.027223  -0.111591  -0.199523
+    1SOL     H5    5   0.008403  -0.118116  -0.288126
+    1SOL     H6    6  -0.069926  -0.025959  -0.197074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039920   0.136826  -0.197065
+    0SOL     H2    2  -0.000624   0.051571  -0.178363
+    0SOL     H3    3  -0.113403   0.143282  -0.136067
+    1SOL     O4    4   0.036929  -0.134957   0.195577
+    1SOL     H5    5   0.121891  -0.105611   0.228480
+    1SOL     H6    6   0.040147  -0.117164   0.101581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020638   0.231702   0.011586
+    0SOL     H2    2  -0.072306   0.252779   0.020500
+    0SOL     H3    3   0.066088   0.308396   0.046438
+    1SOL     O4    4  -0.020473  -0.233944  -0.008227
+    1SOL     H5    5   0.016771  -0.186977  -0.082855
+    1SOL     H6    6  -0.016401  -0.326187  -0.033467
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057892  -0.042255  -0.225055
+    0SOL     H2    2  -0.040837  -0.132276  -0.252760
+    0SOL     H3    3  -0.038785   0.010707  -0.302465
+    1SOL     O4    4   0.054534   0.049645   0.234238
+    1SOL     H5    5   0.121248  -0.016545   0.252417
+    1SOL     H6    6   0.010084   0.017955   0.155611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039390   0.150065  -0.193674
+    0SOL     H2    2   0.131101   0.157849  -0.219961
+    0SOL     H3    3  -0.008138   0.205284  -0.255756
+    1SOL     O4    4  -0.037734  -0.147584   0.200863
+    1SOL     H5    5  -0.052462  -0.224896   0.255344
+    1SOL     H6    6  -0.085338  -0.165884   0.119861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102648   0.215615  -0.090574
+    0SOL     H2    2  -0.047922   0.148446  -0.131265
+    0SOL     H3    3  -0.071119   0.298007  -0.127719
+    1SOL     O4    4   0.092990  -0.213080   0.092320
+    1SOL     H5    5   0.175349  -0.229989   0.046567
+    1SOL     H6    6   0.103752  -0.255354   0.177523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050501   0.120852  -0.233298
+    0SOL     H2    2   0.086633   0.102192  -0.146646
+    0SOL     H3    3  -0.029603   0.170233  -0.215773
+    1SOL     O4    4  -0.047166  -0.118838   0.232670
+    1SOL     H5    5  -0.118560  -0.179140   0.211960
+    1SOL     H6    6   0.011182  -0.123821   0.156954
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.239594  -0.128971   0.044139
+    0SOL     H2    2   0.147310  -0.129756   0.018733
+    0SOL     H3    3   0.285217  -0.093680  -0.032251
+    1SOL     O4    4  -0.236937   0.123190  -0.044118
+    1SOL     H5    5  -0.312204   0.172028  -0.010772
+    1SOL     H6    6  -0.165989   0.143984   0.016680
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128869  -0.006004  -0.246200
+    0SOL     H2    2  -0.173943  -0.043267  -0.321977
+    0SOL     H3    3  -0.130654  -0.075659  -0.180570
+    1SOL     O4    4   0.132598   0.007238   0.244953
+    1SOL     H5    5   0.186021   0.048736   0.312675
+    1SOL     H6    6   0.069209   0.074430   0.219865
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.156591  -0.067500  -0.222040
+    0SOL     H2    2   0.170005   0.006530  -0.281218
+    0SOL     H3    3   0.229675  -0.062519  -0.160426
+    1SOL     O4    4  -0.165687   0.060517   0.225617
+    1SOL     H5    5  -0.154016   0.050858   0.131104
+    1SOL     H6    6  -0.096010   0.120434   0.252403
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.271360  -0.084576   0.006445
+    0SOL     H2    2  -0.356558  -0.128039   0.002618
+    0SOL     H3    3  -0.276762  -0.015335  -0.059426
+    1SOL     O4    4   0.274356   0.087855  -0.005874
+    1SOL     H5    5   0.347381   0.030246  -0.028478
+    1SOL     H6    6   0.243687   0.055603   0.078870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021382   0.309742  -0.045595
+    0SOL     H2    2  -0.073109   0.338066   0.029799
+    0SOL     H3    3   0.038287   0.243727  -0.010325
+    1SOL     O4    4   0.024709  -0.312329   0.035200
+    1SOL     H5    5   0.055336  -0.259805   0.109130
+    1SOL     H6    6  -0.065960  -0.284626   0.022008
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.206749   0.291501  -0.079752
+    0SOL     H2    2   0.203694   0.312519   0.013582
+    0SOL     H3    3   0.264516   0.357880  -0.117422
+    1SOL     O4    4  -0.216165  -0.296860   0.074479
+    1SOL     H5    5  -0.166261  -0.216141   0.086984
+    1SOL     H6    6  -0.153159  -0.366898   0.091429
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097398  -0.356388  -0.106000
+    0SOL     H2    2  -0.053233  -0.439009  -0.086369
+    0SOL     H3    3  -0.044154  -0.316471  -0.174804
+    1SOL     O4    4   0.086134   0.363055   0.109487
+    1SOL     H5    5   0.105745   0.310288   0.032070
+    1SOL     H6    6   0.160998   0.349270   0.167519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.393551   0.023168   0.036760
+    0SOL     H2    2  -0.384967  -0.068248   0.063813
+    0SOL     H3    3  -0.411468   0.018818  -0.057167
+    1SOL     O4    4   0.389696  -0.013500  -0.035637
+    1SOL     H5    5   0.453294   0.006707   0.032988
+    1SOL     H6    6   0.403855  -0.106178  -0.054943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104246   0.232388   0.356811
+    0SOL     H2    2   0.046158   0.170671   0.401298
+    0SOL     H3    3   0.106247   0.202252   0.265981
+    1SOL     O4    4  -0.097515  -0.226852  -0.349763
+    1SOL     H5    5  -0.184001  -0.267806  -0.352063
+    1SOL     H6    6  -0.081131  -0.200277  -0.440248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111640   0.406151  -0.163876
+    0SOL     H2    2   0.144742   0.488038  -0.126983
+    0SOL     H3    3   0.071664   0.360818  -0.089652
+    1SOL     O4    4  -0.110165  -0.404536   0.152377
+    1SOL     H5    5  -0.065934  -0.487283   0.171319
+    1SOL     H6    6  -0.174605  -0.395160   0.222533
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.323305   0.486543   0.196638
+    0SOL     H2    2   0.387769   0.546336   0.234473
+    0SOL     H3    3   0.263837   0.466503   0.268918
+    1SOL     O4    4  -0.326575  -0.482943  -0.202861
+    1SOL     H5    5  -0.363024  -0.563816  -0.166897
+    1SOL     H6    6  -0.236151  -0.505159  -0.225047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.651408   0.033219   0.211568
+    0SOL     H2    2   0.730639  -0.020484   0.212481
+    0SOL     H3    3   0.581941  -0.026950   0.184805
+    1SOL     O4    4  -0.651764  -0.027342  -0.216680
+    1SOL     H5    5  -0.575828  -0.005954  -0.162471
+    1SOL     H6    6  -0.724600  -0.032919  -0.154825
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161011   0.340381   0.711047
+    0SOL     H2    2  -0.182753   0.293767   0.791773
+    0SOL     H3    3  -0.172284   0.275164   0.641896
+    1SOL     O4    4   0.161515  -0.340711  -0.710384
+    1SOL     H5    5   0.181224  -0.293482  -0.791275
+    1SOL     H6    6   0.162786  -0.273377  -0.642363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117382  -0.040007  -0.057708
+    0SOL     H2    2   0.068510   0.021631  -0.112249
+    0SOL     H3    3   0.060976  -0.054839   0.018191
+    1SOL     O4    4  -0.109462   0.034811   0.049315
+    1SOL     H5    5  -0.144974  -0.017267   0.121351
+    1SOL     H6    6  -0.098487   0.122455   0.086199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116484   0.062672  -0.029211
+    0SOL     H2    2   0.163682  -0.020064  -0.019749
+    0SOL     H3    3   0.024640   0.039646  -0.015183
+    1SOL     O4    4  -0.114330  -0.051044   0.024919
+    1SOL     H5    5  -0.101929  -0.069410   0.118038
+    1SOL     H6    6  -0.121671  -0.137361  -0.015797
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021541   0.066189   0.116313
+    0SOL     H2    2  -0.003091   0.029681   0.031326
+    0SOL     H3    3   0.117203   0.068960   0.114426
+    1SOL     O4    4  -0.021810  -0.059850  -0.114266
+    1SOL     H5    5  -0.117449  -0.063344  -0.112474
+    1SOL     H6    6   0.005898  -0.131564  -0.057242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099664   0.079457   0.006485
+    0SOL     H2    2  -0.144683   0.097148  -0.076115
+    0SOL     H3    3  -0.167901   0.045033   0.064114
+    1SOL     O4    4   0.108501  -0.083541   0.000296
+    1SOL     H5    5   0.047967  -0.010753   0.014429
+    1SOL     H6    6   0.129675  -0.079384  -0.092960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033701  -0.084974  -0.093533
+    0SOL     H2    2  -0.086699  -0.148496  -0.045384
+    0SOL     H3    3   0.052379  -0.126189  -0.100867
+    1SOL     O4    4   0.034992   0.094921   0.095804
+    1SOL     H5    5   0.059376   0.072591   0.005976
+    1SOL     H6    6  -0.054176   0.061489   0.105483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053443   0.015416  -0.126205
+    0SOL     H2    2   0.040706   0.013777  -0.031351
+    0SOL     H3    3   0.039147   0.106821  -0.150762
+    1SOL     O4    4  -0.046880  -0.016362   0.121418
+    1SOL     H5    5  -0.140615  -0.003985   0.106492
+    1SOL     H6    6  -0.037877  -0.109509   0.141542
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063245  -0.107838   0.037666
+    0SOL     H2    2   0.144080  -0.155290   0.018266
+    0SOL     H3    3   0.058106  -0.107259   0.133246
+    1SOL     O4    4  -0.068037   0.116172  -0.037370
+    1SOL     H5    5  -0.101952   0.110855  -0.126722
+    1SOL     H6    6  -0.025952   0.031480  -0.022595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126985   0.037308  -0.043552
+    0SOL     H2    2   0.052758   0.026908   0.015985
+    0SOL     H3    3   0.202017   0.052144   0.014002
+    1SOL     O4    4  -0.129859  -0.031752   0.035684
+    1SOL     H5    5  -0.117404  -0.106755  -0.022467
+    1SOL     H6    6  -0.093675  -0.060189   0.119615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008250   0.116982   0.067036
+    0SOL     H2    2   0.094104   0.087709   0.097606
+    0SOL     H3    3  -0.041473   0.133321   0.147179
+    1SOL     O4    4  -0.004673  -0.119789  -0.077038
+    1SOL     H5    5  -0.090500  -0.154899  -0.053302
+    1SOL     H6    6  -0.008942  -0.027358  -0.052531
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011438  -0.120642  -0.059580
+    0SOL     H2    2   0.102146  -0.151120  -0.057224
+    0SOL     H3    3  -0.035336  -0.179931  -0.000764
+    1SOL     O4    4  -0.008252   0.128475   0.057991
+    1SOL     H5    5  -0.094058   0.170680   0.062282
+    1SOL     H6    6  -0.025937   0.041810   0.021402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026694   0.079849   0.102243
+    0SOL     H2    2   0.091617   0.148147   0.119056
+    0SOL     H3    3  -0.028803   0.079770   0.180232
+    1SOL     O4    4  -0.025550  -0.081093  -0.113149
+    1SOL     H5    5  -0.020719  -0.033796  -0.030071
+    1SOL     H6    6  -0.057485  -0.168143  -0.089385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025677   0.105930  -0.091910
+    0SOL     H2    2   0.009960   0.051519  -0.014743
+    0SOL     H3    3  -0.061787   0.128178  -0.123806
+    1SOL     O4    4  -0.023415  -0.100229   0.085459
+    1SOL     H5    5   0.033228  -0.173739   0.062001
+    1SOL     H6    6  -0.022277  -0.098642   0.181159
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066222  -0.093738   0.090465
+    0SOL     H2    2   0.082459  -0.021375   0.150981
+    0SOL     H3    3   0.016380  -0.054398   0.018837
+    1SOL     O4    4  -0.059857   0.083287  -0.086717
+    1SOL     H5    5  -0.135137   0.126165  -0.046013
+    1SOL     H6    6  -0.063654   0.110179  -0.178503
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033412   0.129180   0.036339
+    0SOL     H2    2   0.046828   0.114883   0.086533
+    0SOL     H3    3  -0.092715   0.172517   0.097718
+    1SOL     O4    4   0.036684  -0.135094  -0.048009
+    1SOL     H5    5   0.002095  -0.048028  -0.067641
+    1SOL     H6    6  -0.001256  -0.157384   0.036996
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113746  -0.062611   0.042959
+    0SOL     H2    2  -0.207859  -0.045408   0.045976
+    0SOL     H3    3  -0.089492  -0.079423   0.134017
+    1SOL     O4    4   0.124489   0.063228  -0.048542
+    1SOL     H5    5   0.062728   0.121094  -0.093259
+    1SOL     H6    6   0.069803  -0.005677  -0.010809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119388   0.053676  -0.056550
+    0SOL     H2    2  -0.049023   0.055597   0.008315
+    0SOL     H3    3  -0.167558   0.135124  -0.042122
+    1SOL     O4    4   0.117712  -0.051425   0.050567
+    1SOL     H5    5   0.143303  -0.120643  -0.010395
+    1SOL     H6    6   0.105975  -0.096313   0.134290
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035268  -0.124364   0.057715
+    0SOL     H2    2  -0.088138  -0.199379   0.030513
+    0SOL     H3    3   0.047902  -0.135675   0.011702
+    1SOL     O4    4   0.027927   0.131907  -0.057436
+    1SOL     H5    5   0.086348   0.177618   0.003060
+    1SOL     H6    6   0.056971   0.040745  -0.054573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029669  -0.048406   0.125639
+    0SOL     H2    2   0.124341  -0.041534   0.137983
+    0SOL     H3    3  -0.000345  -0.101593   0.199345
+    1SOL     O4    4  -0.035327   0.057578  -0.132372
+    1SOL     H5    5  -0.039347  -0.022045  -0.185346
+    1SOL     H6    6   0.003672   0.029405  -0.049621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056765  -0.069007   0.117997
+    0SOL     H2    2  -0.008627  -0.057657   0.199949
+    0SOL     H3    3  -0.003495  -0.023987   0.052439
+    1SOL     O4    4   0.044884   0.066930  -0.116142
+    1SOL     H5    5   0.072970  -0.012933  -0.160813
+    1SOL     H6    6   0.121202   0.124587  -0.119813
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013983   0.103120   0.095377
+    0SOL     H2    2  -0.008354   0.188117   0.051717
+    0SOL     H3    3  -0.094017   0.108237   0.147634
+    1SOL     O4    4   0.013424  -0.107957  -0.100948
+    1SOL     H5    5   0.097004  -0.154488  -0.097563
+    1SOL     H6    6   0.009511  -0.059614  -0.018425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032550   0.026304   0.136442
+    0SOL     H2    2  -0.102859  -0.032430   0.164176
+    0SOL     H3    3  -0.073933   0.112454   0.131147
+    1SOL     O4    4   0.034000  -0.030510  -0.140314
+    1SOL     H5    5   0.116549  -0.017233  -0.186916
+    1SOL     H6    6   0.048336   0.009074  -0.054349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053462  -0.128364   0.041396
+    0SOL     H2    2  -0.120838  -0.176907   0.089002
+    0SOL     H3    3  -0.077680  -0.036438   0.052602
+    1SOL     O4    4   0.059596   0.127585  -0.038853
+    1SOL     H5    5   0.066595   0.040174  -0.077227
+    1SOL     H6    6   0.039900   0.184836  -0.112994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017595   0.099580   0.113804
+    0SOL     H2    2   0.048842   0.051606   0.037094
+    0SOL     H3    3  -0.068565   0.062105   0.132091
+    1SOL     O4    4  -0.019085  -0.089270  -0.107569
+    1SOL     H5    5  -0.037142  -0.183054  -0.101178
+    1SOL     H6    6   0.063017  -0.083917  -0.156486
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008235  -0.034289  -0.136607
+    0SOL     H2    2   0.032119   0.040142  -0.191850
+    0SOL     H3    3   0.044561  -0.110405  -0.181873
+    1SOL     O4    4  -0.014558   0.033849   0.147572
+    1SOL     H5    5  -0.021855  -0.027235   0.074238
+    1SOL     H6    6   0.048185   0.099717   0.117789
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123648   0.076907  -0.015241
+    0SOL     H2    2   0.168092   0.147376   0.031888
+    0SOL     H3    3   0.040565   0.115378  -0.043158
+    1SOL     O4    4  -0.125092  -0.079999   0.008621
+    1SOL     H5    5  -0.054950  -0.144757   0.001643
+    1SOL     H6    6  -0.134369  -0.064708   0.102655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089747  -0.116480  -0.008566
+    0SOL     H2    2  -0.033487  -0.123688  -0.085671
+    0SOL     H3    3  -0.059281  -0.185843   0.049940
+    1SOL     O4    4   0.087593   0.125721   0.013115
+    1SOL     H5    5   0.115905   0.085882  -0.069186
+    1SOL     H6    6   0.003618   0.083994   0.032337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094344  -0.088401   0.074323
+    0SOL     H2    2  -0.132356  -0.012650   0.029834
+    0SOL     H3    3  -0.114757  -0.162487   0.017253
+    1SOL     O4    4   0.098883   0.094032  -0.073073
+    1SOL     H5    5   0.160782   0.031201  -0.035882
+    1SOL     H6    6   0.013817   0.067467  -0.038138
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009673   0.143310  -0.025129
+    0SOL     H2    2  -0.025587   0.202927   0.040937
+    0SOL     H3    3   0.086876   0.188370  -0.059358
+    1SOL     O4    4  -0.013229  -0.154610   0.019872
+    1SOL     H5    5   0.012046  -0.146599   0.111847
+    1SOL     H6    6  -0.020016  -0.064295  -0.011105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003145  -0.132293  -0.083567
+    0SOL     H2    2  -0.088126  -0.107405  -0.047220
+    0SOL     H3    3   0.047713  -0.161446  -0.007897
+    1SOL     O4    4  -0.000427   0.131666   0.079797
+    1SOL     H5    5   0.084834   0.094937   0.103117
+    1SOL     H6    6   0.016476   0.183496   0.001119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063364  -0.042090  -0.138700
+    0SOL     H2    2  -0.019842  -0.055936  -0.183947
+    0SOL     H3    3   0.040330  -0.041368  -0.045795
+    1SOL     O4    4  -0.050922   0.042807   0.134334
+    1SOL     H5    5  -0.098675  -0.023634   0.184008
+    1SOL     H6    6  -0.116614   0.109389   0.113995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010130  -0.076319  -0.137113
+    0SOL     H2    2   0.033384  -0.016320  -0.207977
+    0SOL     H3    3  -0.014165  -0.019163  -0.064276
+    1SOL     O4    4  -0.007753   0.064944   0.131939
+    1SOL     H5    5   0.034849   0.144594   0.163612
+    1SOL     H6    6  -0.090103   0.060816   0.180558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133438   0.066224   0.004241
+    0SOL     H2    2   0.178331  -0.015789  -0.016270
+    0SOL     H3    3   0.196020   0.115130   0.057664
+    1SOL     O4    4  -0.143675  -0.063280  -0.000941
+    1SOL     H5    5  -0.168817  -0.096871  -0.086975
+    1SOL     H6    6  -0.049755  -0.046333  -0.008303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052721  -0.134312  -0.070398
+    0SOL     H2    2  -0.039923  -0.124112  -0.048596
+    0SOL     H3    3   0.094924  -0.057205  -0.032505
+    1SOL     O4    4  -0.050992   0.122589   0.066940
+    1SOL     H5    5  -0.005311   0.178128   0.003765
+    1SOL     H6    6  -0.078451   0.182638   0.136238
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052864  -0.093052   0.118573
+    0SOL     H2    2   0.148266  -0.096069   0.125759
+    0SOL     H3    3   0.036441  -0.047001   0.036281
+    1SOL     O4    4  -0.059559   0.092133  -0.108528
+    1SOL     H5    5   0.009384   0.137989  -0.156552
+    1SOL     H6    6  -0.083660   0.018883  -0.165237
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040904  -0.030491  -0.142159
+    0SOL     H2    2   0.000063  -0.036841  -0.228436
+    0SOL     H3    3  -0.087714  -0.113322  -0.131664
+    1SOL     O4    4   0.045892   0.035256   0.151762
+    1SOL     H5    5   0.054389   0.017989   0.057997
+    1SOL     H6    6  -0.042559   0.070452   0.161764
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032662  -0.113576  -0.112989
+    0SOL     H2    2  -0.043992  -0.047093  -0.180916
+    0SOL     H3    3   0.003320  -0.065702  -0.038318
+    1SOL     O4    4   0.035022   0.104561   0.107064
+    1SOL     H5    5   0.012634   0.057453   0.187325
+    1SOL     H6    6  -0.007757   0.189672   0.116465
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120785   0.062164   0.078138
+    0SOL     H2    2  -0.063571   0.124110   0.123432
+    0SOL     H3    3  -0.180522   0.117248   0.027545
+    1SOL     O4    4   0.124816  -0.064884  -0.082401
+    1SOL     H5    5   0.133044  -0.155136  -0.051589
+    1SOL     H6    6   0.047455  -0.031083  -0.037289
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050947   0.090544   0.113163
+    0SOL     H2    2  -0.050380   0.045614   0.197681
+    0SOL     H3    3  -0.100834   0.170700   0.128930
+    1SOL     O4    4   0.055153  -0.096094  -0.124120
+    1SOL     H5    5  -0.005067  -0.021926  -0.118207
+    1SOL     H6    6   0.087894  -0.107595  -0.034913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022586  -0.099016  -0.128931
+    0SOL     H2    2   0.117145  -0.109317  -0.118220
+    0SOL     H3    3  -0.003644  -0.041801  -0.056814
+    1SOL     O4    4  -0.024230   0.096996   0.117976
+    1SOL     H5    5  -0.092693   0.036407   0.146329
+    1SOL     H6    6   0.001619   0.143058   0.197803
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146973  -0.050536  -0.038264
+    0SOL     H2    2  -0.151620  -0.054070  -0.133806
+    0SOL     H3    3  -0.102852  -0.131750  -0.013364
+    1SOL     O4    4   0.149239   0.058330   0.045236
+    1SOL     H5    5   0.112873  -0.027145   0.068339
+    1SOL     H6    6   0.104961   0.082018  -0.036254
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013842  -0.002089   0.168899
+    0SOL     H2    2   0.001126   0.079386   0.120294
+    0SOL     H3    3  -0.018982  -0.070333   0.110353
+    1SOL     O4    4  -0.003876   0.002618  -0.163824
+    1SOL     H5    5  -0.043483  -0.058489  -0.101699
+    1SOL     H6    6  -0.078259   0.046959  -0.204609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149846  -0.061521   0.030131
+    0SOL     H2    2   0.077986  -0.124710   0.032502
+    0SOL     H3    3   0.175189  -0.057448  -0.062084
+    1SOL     O4    4  -0.152344   0.066462  -0.029114
+    1SOL     H5    5  -0.060037   0.081769  -0.049296
+    1SOL     H6    6  -0.151635   0.027231   0.058195
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.160719   0.003601   0.041460
+    0SOL     H2    2   0.070621   0.027427   0.019620
+    0SOL     H3    3   0.186392   0.066275   0.109100
+    1SOL     O4    4  -0.153467  -0.014068  -0.040080
+    1SOL     H5    5  -0.211971   0.053990  -0.006799
+    1SOL     H6    6  -0.149347   0.001833  -0.134380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066336   0.143484   0.047157
+    0SOL     H2    2  -0.148746   0.148705  -0.001253
+    0SOL     H3    3  -0.081538   0.075883   0.113197
+    1SOL     O4    4   0.073376  -0.139254  -0.055135
+    1SOL     H5    5   0.013877  -0.199694  -0.010759
+    1SOL     H6    6   0.111756  -0.087212   0.015440
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100610  -0.121902   0.033926
+    0SOL     H2    2  -0.042601  -0.191439   0.064940
+    0SOL     H3    3  -0.188158  -0.150060   0.060476
+    1SOL     O4    4   0.100702   0.132835  -0.039779
+    1SOL     H5    5   0.085505   0.044441  -0.073214
+    1SOL     H6    6   0.149915   0.119708   0.041265
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041927  -0.161708  -0.056766
+    0SOL     H2    2   0.060665  -0.080130  -0.103201
+    0SOL     H3    3   0.031606  -0.135434   0.034698
+    1SOL     O4    4  -0.044685   0.149112   0.054135
+    1SOL     H5    5  -0.086851   0.227915   0.019866
+    1SOL     H6    6   0.038501   0.180060   0.089979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134516   0.001302  -0.097000
+    0SOL     H2    2  -0.181188  -0.040810  -0.169185
+    0SOL     H3    3  -0.116446   0.089858  -0.128523
+    1SOL     O4    4   0.139566   0.001667   0.103131
+    1SOL     H5    5   0.137953  -0.064099   0.033600
+    1SOL     H6    6   0.080841  -0.032987   0.170308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087075   0.141378  -0.067317
+    0SOL     H2    2  -0.004236   0.102782  -0.038848
+    0SOL     H3    3  -0.154011   0.092695  -0.019235
+    1SOL     O4    4   0.087825  -0.130582   0.062247
+    1SOL     H5    5   0.000627  -0.161992   0.086169
+    1SOL     H6    6   0.140648  -0.210026   0.054453
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077703   0.143676   0.060937
+    0SOL     H2    2  -0.082530   0.177557   0.150330
+    0SOL     H3    3   0.009611   0.104963   0.054627
+    1SOL     O4    4   0.075646  -0.146551  -0.070444
+    1SOL     H5    5   0.117553  -0.091324  -0.004443
+    1SOL     H6    6  -0.017550  -0.143214  -0.048866
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018354  -0.107414  -0.139616
+    0SOL     H2    2  -0.088490  -0.172458  -0.143163
+    0SOL     H3    3  -0.050974  -0.040185  -0.079795
+    1SOL     O4    4   0.019670   0.104765   0.132399
+    1SOL     H5    5   0.114900   0.097536   0.138817
+    1SOL     H6    6  -0.005433   0.158531   0.207508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.096248   0.152150  -0.023855
+    0SOL     H2    2   0.165498   0.122626  -0.082975
+    0SOL     H3    3   0.019049   0.160855  -0.079773
+    1SOL     O4    4  -0.102620  -0.150657   0.028153
+    1SOL     H5    5  -0.064455  -0.184346   0.109214
+    1SOL     H6    6  -0.027494  -0.121091  -0.023269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.159169   0.020000   0.082446
+    0SOL     H2    2   0.080229  -0.015681   0.123160
+    0SOL     H3    3   0.230222  -0.034814   0.115750
+    1SOL     O4    4  -0.151986  -0.017466  -0.084254
+    1SOL     H5    5  -0.207170   0.048311  -0.041942
+    1SOL     H6    6  -0.202495  -0.045721  -0.160496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.171431   0.041218  -0.061867
+    0SOL     H2    2  -0.134599   0.123335  -0.094462
+    0SOL     H3    3  -0.095451  -0.009464  -0.033217
+    1SOL     O4    4   0.169706  -0.039279   0.060193
+    1SOL     H5    5   0.120926  -0.032872   0.142301
+    1SOL     H6    6   0.134794  -0.117560   0.017584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098477  -0.150724  -0.057955
+    0SOL     H2    2  -0.044387  -0.221738  -0.092502
+    0SOL     H3    3  -0.120824  -0.098062  -0.134699
+    1SOL     O4    4   0.099076   0.147809   0.060461
+    1SOL     H5    5   0.124745   0.172614   0.149276
+    1SOL     H6    6   0.023540   0.203266   0.040939
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.145821  -0.107045  -0.037101
+    0SOL     H2    2  -0.170443  -0.187219  -0.083234
+    0SOL     H3    3  -0.214743  -0.094792   0.028183
+    1SOL     O4    4   0.150251   0.104159   0.037063
+    1SOL     H5    5   0.197755   0.165570   0.093049
+    1SOL     H6    6   0.121068   0.157030  -0.037201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.169956   0.072057  -0.056906
+    0SOL     H2    2   0.225892   0.120686  -0.117476
+    0SOL     H3    3   0.111452   0.021658  -0.113471
+    1SOL     O4    4  -0.168745  -0.066166   0.059479
+    1SOL     H5    5  -0.132919  -0.151502   0.035054
+    1SOL     H6    6  -0.224535  -0.084318   0.135112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063039  -0.175228  -0.059280
+    0SOL     H2    2   0.032634  -0.201590   0.027571
+    0SOL     H3    3  -0.005836  -0.204794  -0.118815
+    1SOL     O4    4  -0.051785   0.177926   0.056999
+    1SOL     H5    5  -0.106887   0.244259   0.098543
+    1SOL     H6    6  -0.113076   0.109994   0.028877
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097445   0.140103   0.118503
+    0SOL     H2    2  -0.049983   0.193892   0.055128
+    0SOL     H3    3  -0.112882   0.057345   0.072949
+    1SOL     O4    4   0.088890  -0.135892  -0.112564
+    1SOL     H5    5   0.133049  -0.197828  -0.170669
+    1SOL     H6    6   0.154936  -0.113091  -0.047139
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021899  -0.142724  -0.147682
+    0SOL     H2    2  -0.034755  -0.133523  -0.053277
+    0SOL     H3    3   0.073105  -0.141017  -0.159244
+    1SOL     O4    4   0.015071   0.141092   0.137453
+    1SOL     H5    5   0.003358   0.090393   0.217795
+    1SOL     H6    6   0.073596   0.212574   0.162502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119850  -0.154445   0.064430
+    0SOL     H2    2   0.087416  -0.066846   0.043532
+    0SOL     H3    3   0.182540  -0.140524   0.135412
+    1SOL     O4    4  -0.122555   0.141726  -0.064695
+    1SOL     H5    5  -0.178942   0.218368  -0.054260
+    1SOL     H6    6  -0.049226   0.172924  -0.117722
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000777  -0.170708   0.113045
+    0SOL     H2    2   0.004992  -0.113687   0.189710
+    0SOL     H3    3   0.010642  -0.259097   0.147963
+    1SOL     O4    4   0.002784   0.173246  -0.126420
+    1SOL     H5    5   0.045536   0.147537  -0.044728
+    1SOL     H6    6  -0.089138   0.185348  -0.102626
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.188306  -0.066375   0.078969
+    0SOL     H2    2  -0.227349  -0.153228   0.069249
+    0SOL     H3    3  -0.204074  -0.023428  -0.005110
+    1SOL     O4    4   0.190047   0.074720  -0.076640
+    1SOL     H5    5   0.126685   0.009764  -0.046170
+    1SOL     H6    6   0.275267   0.037896  -0.053319
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070382   0.208371  -0.025855
+    0SOL     H2    2   0.011211   0.185041  -0.097387
+    0SOL     H3    3   0.014705   0.253495   0.037598
+    1SOL     O4    4  -0.064294  -0.203517   0.023064
+    1SOL     H5    5  -0.029237  -0.226842   0.109025
+    1SOL     H6    6  -0.099035  -0.285627  -0.011771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058218   0.211536  -0.072308
+    0SOL     H2    2   0.100339   0.137766  -0.116422
+    0SOL     H3    3   0.062777   0.189625   0.020759
+    1SOL     O4    4  -0.056330  -0.204401   0.073724
+    1SOL     H5    5  -0.132009  -0.149331   0.053666
+    1SOL     H6    6  -0.066338  -0.280634   0.016710
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141727  -0.175781  -0.005273
+    0SOL     H2    2  -0.157828  -0.244167  -0.070284
+    0SOL     H3    3  -0.096736  -0.220768   0.066241
+    1SOL     O4    4   0.142071   0.182377  -0.000952
+    1SOL     H5    5   0.080896   0.245045   0.037682
+    1SOL     H6    6   0.164935   0.123633   0.071081
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075493  -0.178735   0.121564
+    0SOL     H2    2   0.024512  -0.231144   0.059785
+    0SOL     H3    3   0.153073  -0.231779   0.139727
+    1SOL     O4    4  -0.080806   0.180392  -0.121878
+    1SOL     H5    5  -0.087544   0.213239  -0.032223
+    1SOL     H6    6  -0.011081   0.232706  -0.161427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126443  -0.115971   0.166890
+    0SOL     H2    2  -0.183938  -0.192014   0.175501
+    0SOL     H3    3  -0.153966  -0.074194   0.085284
+    1SOL     O4    4   0.127554   0.122628  -0.160359
+    1SOL     H5    5   0.137361   0.092241  -0.250596
+    1SOL     H6    6   0.189022   0.069082  -0.110190
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063324  -0.202043   0.114794
+    0SOL     H2    2  -0.037982  -0.292720   0.132046
+    0SOL     H3    3  -0.044890  -0.155983   0.196654
+    1SOL     O4    4   0.059594   0.197935  -0.121923
+    1SOL     H5    5   0.144371   0.238136  -0.102976
+    1SOL     H6    6  -0.003057   0.270048  -0.115841
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030917  -0.246601   0.016920
+    0SOL     H2    2  -0.013580  -0.152977   0.007110
+    0SOL     H3    3   0.016547  -0.287507  -0.055442
+    1SOL     O4    4   0.022418   0.247344  -0.010357
+    1SOL     H5    5   0.067326   0.252117  -0.094754
+    1SOL     H6    6   0.068158   0.178057   0.037281
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046067  -0.081300  -0.244865
+    0SOL     H2    2  -0.131452  -0.041896  -0.262727
+    0SOL     H3    3  -0.066421  -0.169147  -0.212754
+    1SOL     O4    4   0.052367   0.077673   0.246684
+    1SOL     H5    5   0.048345   0.099045   0.153467
+    1SOL     H6    6   0.036830   0.161024   0.291107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123844  -0.034581  -0.233660
+    0SOL     H2    2   0.205542   0.015103  -0.238049
+    0SOL     H3    3   0.121303  -0.068741  -0.144279
+    1SOL     O4    4  -0.128219   0.034085   0.222669
+    1SOL     H5    5  -0.179370   0.087334   0.283582
+    1SOL     H6    6  -0.080876  -0.027526   0.278571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023276  -0.151846  -0.261889
+    0SOL     H2    2  -0.012273  -0.110980  -0.176032
+    0SOL     H3    3  -0.088000  -0.097139  -0.306389
+    1SOL     O4    4   0.022081   0.149769   0.262540
+    1SOL     H5    5  -0.000274   0.081538   0.199238
+    1SOL     H6    6   0.117783   0.151465   0.263205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084541  -0.205526  -0.204644
+    0SOL     H2    2   0.042857  -0.221431  -0.289330
+    0SOL     H3    3   0.135677  -0.284674  -0.187824
+    1SOL     O4    4  -0.087836   0.217017   0.210472
+    1SOL     H5    5  -0.135835   0.139657   0.180910
+    1SOL     H6    6   0.004249   0.191269   0.206040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.167132   0.140823  -0.210915
+    0SOL     H2    2  -0.193416   0.178272  -0.294992
+    0SOL     H3    3  -0.241702   0.087073  -0.184222
+    1SOL     O4    4   0.177976  -0.137593   0.211644
+    1SOL     H5    5   0.094105  -0.094204   0.227306
+    1SOL     H6    6   0.167679  -0.224465   0.250496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.204342  -0.012409   0.225003
+    0SOL     H2    2  -0.296577  -0.037239   0.231211
+    0SOL     H3    3  -0.163709  -0.051495   0.302357
+    1SOL     O4    4   0.209398   0.022155  -0.229068
+    1SOL     H5    5   0.238247  -0.045577  -0.290243
+    1SOL     H6    6   0.137131  -0.018162  -0.180960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011947  -0.080431  -0.303431
+    0SOL     H2    2   0.038151  -0.015170  -0.254507
+    0SOL     H3    3   0.045055  -0.104683  -0.376403
+    1SOL     O4    4   0.003595   0.076083   0.299686
+    1SOL     H5    5   0.043265   0.020802   0.367010
+    1SOL     H6    6   0.021709   0.165585   0.328383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043372  -0.212272  -0.320780
+    0SOL     H2    2  -0.023363  -0.247365  -0.234002
+    0SOL     H3    3  -0.129061  -0.170815  -0.310728
+    1SOL     O4    4   0.052301   0.208730   0.312138
+    1SOL     H5    5  -0.027891   0.167404   0.344134
+    1SOL     H6    6   0.041723   0.301422   0.333551
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006792  -0.178777  -0.366120
+    0SOL     H2    2  -0.086821  -0.165669  -0.381191
+    0SOL     H3    3   0.016982  -0.172100  -0.271179
+    1SOL     O4    4  -0.007890   0.178511   0.364819
+    1SOL     H5    5   0.014294   0.192668   0.272788
+    1SOL     H6    6   0.073695   0.148405   0.404815
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135688  -0.298676   0.314257
+    0SOL     H2    2   0.199417  -0.367513   0.295217
+    0SOL     H3    3   0.094936  -0.325786   0.396516
+    1SOL     O4    4  -0.135711   0.297053  -0.319095
+    1SOL     H5    5  -0.176814   0.339521  -0.243800
+    1SOL     H6    6  -0.112051   0.369201  -0.377380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.318234   0.206484   0.261027
+    0SOL     H2    2  -0.359417   0.145167   0.321909
+    0SOL     H3    3  -0.236269   0.231331   0.303765
+    1SOL     O4    4   0.321980  -0.202268  -0.267386
+    1SOL     H5    5   0.295061  -0.294107  -0.265579
+    1SOL     H6    6   0.239807  -0.153179  -0.267848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097995  -0.462353   0.067604
+    0SOL     H2    2  -0.056189  -0.516868   0.000951
+    0SOL     H3    3  -0.039108  -0.387589   0.077853
+    1SOL     O4    4   0.098927   0.461172  -0.065125
+    1SOL     H5    5   0.046259   0.454401   0.014515
+    1SOL     H6    6   0.034876   0.472313  -0.135380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.205877  -0.150855  -0.405891
+    0SOL     H2    2  -0.249415  -0.126996  -0.324053
+    0SOL     H3    3  -0.196058  -0.068042  -0.452880
+    1SOL     O4    4   0.209256   0.141384   0.399030
+    1SOL     H5    5   0.148166   0.117414   0.468713
+    1SOL     H6    6   0.243709   0.226645   0.425598
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.284000   0.039170  -0.411637
+    0SOL     H2    2  -0.375583   0.015332  -0.397267
+    0SOL     H3    3  -0.240965  -0.043331  -0.434087
+    1SOL     O4    4   0.284497  -0.036374   0.405804
+    1SOL     H5    5   0.354109   0.028395   0.416826
+    1SOL     H6    6   0.246588  -0.045965   0.493172
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.355831  -0.359802  -0.134649
+    0SOL     H2    2   0.390034  -0.437811  -0.090978
+    0SOL     H3    3   0.420804  -0.339549  -0.201959
+    1SOL     O4    4  -0.363964   0.362540   0.142209
+    1SOL     H5    5  -0.328292   0.294596   0.084995
+    1SOL     H6    6  -0.358891   0.442768   0.090248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.488503   0.175631  -0.136002
+    0SOL     H2    2   0.502917   0.134816  -0.221376
+    0SOL     H3    3   0.458552   0.104063  -0.079937
+    1SOL     O4    4  -0.493082  -0.166958   0.140870
+    1SOL     H5    5  -0.488777  -0.213316   0.057236
+    1SOL     H6    6  -0.402844  -0.166620   0.172795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104689  -0.566065   0.246413
+    0SOL     H2    2   0.088836  -0.645043   0.298118
+    0SOL     H3    3   0.197522  -0.570595   0.223529
+    1SOL     O4    4  -0.108021   0.576922  -0.251194
+    1SOL     H5    5  -0.140008   0.495954  -0.290986
+    1SOL     H6    6  -0.099528   0.556201  -0.158131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.577387  -0.148493  -0.415783
+    0SOL     H2    2   0.564937  -0.054064  -0.406266
+    0SOL     H3    3   0.553901  -0.184534  -0.330274
+    1SOL     O4    4  -0.572901   0.140192   0.413522
+    1SOL     H5    5  -0.627787   0.152983   0.336151
+    1SOL     H6    6  -0.567385   0.226925   0.453638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.709166  -0.258583   0.011426
+    0SOL     H2    2  -0.682249  -0.237898  -0.078072
+    0SOL     H3    3  -0.802755  -0.277464   0.004582
+    1SOL     O4    4   0.719082   0.257989  -0.003373
+    1SOL     H5    5   0.637931   0.222816   0.033229
+    1SOL     H6    6   0.692090   0.301308  -0.084350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.458610  -0.650408  -0.055430
+    0SOL     H2    2   0.481395  -0.641671  -0.147987
+    0SOL     H3    3   0.428299  -0.740772  -0.046603
+    1SOL     O4    4  -0.463704   0.652632   0.058268
+    1SOL     H5    5  -0.386634   0.678597   0.007787
+    1SOL     H6    6  -0.442359   0.676289   0.148529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.173876  -0.637619  -0.638473
+    0SOL     H2    2   0.159309  -0.623824  -0.732067
+    0SOL     H3    3   0.245689  -0.700776  -0.634416
+    1SOL     O4    4  -0.182552   0.642109   0.640994
+    1SOL     H5    5  -0.115104   0.696851   0.681200
+    1SOL     H6    6  -0.147196   0.553272   0.645503
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076059  -0.109476   0.014923
+    0SOL     H2    2   0.027703  -0.027081   0.020850
+    0SOL     H3    3   0.010026  -0.177173   0.029723
+    1SOL     O4    4  -0.064720   0.104886  -0.013055
+    1SOL     H5    5  -0.072692   0.200160  -0.017698
+    1SOL     H6    6  -0.141670   0.072069  -0.059574
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014953  -0.107990  -0.071558
+    0SOL     H2    2   0.052878  -0.164892  -0.035179
+    0SOL     H3    3   0.031348  -0.052623  -0.134432
+    1SOL     O4    4   0.002716   0.112043   0.075484
+    1SOL     H5    5  -0.000746   0.020804   0.046749
+    1SOL     H6    6   0.095278   0.135642   0.069346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118746   0.022108   0.031886
+    0SOL     H2    2  -0.196941  -0.019880   0.067732
+    0SOL     H3    3  -0.128921   0.114673   0.054034
+    1SOL     O4    4   0.127609  -0.023200  -0.039215
+    1SOL     H5    5   0.042543   0.014295  -0.016407
+    1SOL     H6    6   0.135886  -0.100041   0.017258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055751  -0.071807   0.086935
+    0SOL     H2    2  -0.127397  -0.082486   0.149506
+    0SOL     H3    3  -0.027600  -0.161142   0.067209
+    1SOL     O4    4   0.057890   0.079412  -0.096709
+    1SOL     H5    5   0.004491   0.021898  -0.041909
+    1SOL     H6    6   0.122295   0.116834  -0.036594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003535  -0.120276  -0.058765
+    0SOL     H2    2  -0.062184  -0.152184  -0.127354
+    0SOL     H3    3   0.064048  -0.071445  -0.105780
+    1SOL     O4    4   0.005409   0.125101   0.062096
+    1SOL     H5    5  -0.021564   0.115271   0.153409
+    1SOL     H6    6  -0.006342   0.038037   0.024095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005124  -0.124420  -0.061889
+    0SOL     H2    2   0.065301  -0.144707  -0.123461
+    0SOL     H3    3  -0.004688  -0.028911  -0.055551
+    1SOL     O4    4   0.003260   0.116894   0.059638
+    1SOL     H5    5  -0.066915   0.181038   0.070737
+    1SOL     H6    6   0.034920   0.100351   0.148443
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000106   0.091713  -0.091047
+    0SOL     H2    2   0.072878   0.116333  -0.148147
+    0SOL     H3    3  -0.070306   0.152170  -0.114487
+    1SOL     O4    4  -0.002397  -0.096105   0.102027
+    1SOL     H5    5   0.034765  -0.032461   0.040947
+    1SOL     H6    6  -0.001452  -0.178878   0.053964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103112   0.066710   0.061306
+    0SOL     H2    2  -0.035703   0.133998   0.051789
+    0SOL     H3    3  -0.089745   0.031635   0.149360
+    1SOL     O4    4   0.100523  -0.069265  -0.072161
+    1SOL     H5    5   0.016101  -0.031423  -0.047600
+    1SOL     H6    6   0.141100  -0.093473   0.011084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125757   0.025573   0.031211
+    0SOL     H2    2   0.203440  -0.016417   0.068149
+    0SOL     H3    3   0.159711   0.081968  -0.038280
+    1SOL     O4    4  -0.138648  -0.024644  -0.025246
+    1SOL     H5    5  -0.046116  -0.018625  -0.001496
+    1SOL     H6    6  -0.138491  -0.063454  -0.112745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053841  -0.111040  -0.051886
+    0SOL     H2    2   0.050574  -0.178083   0.016356
+    0SOL     H3    3   0.024770  -0.156078  -0.131187
+    1SOL     O4    4  -0.048944   0.123123   0.053802
+    1SOL     H5    5  -0.135051   0.093340   0.083146
+    1SOL     H6    6  -0.014880   0.050419   0.001686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027218   0.015076  -0.137800
+    0SOL     H2    2   0.113988   0.045678  -0.164199
+    0SOL     H3    3   0.038548  -0.014072  -0.047332
+    1SOL     O4    4  -0.026440  -0.016405   0.131390
+    1SOL     H5    5  -0.084714  -0.080683   0.171821
+    1SOL     H6    6  -0.068094   0.068012   0.148745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025836  -0.086879  -0.104006
+    0SOL     H2    2  -0.038411  -0.033625  -0.182543
+    0SOL     H3    3   0.065962  -0.113748  -0.107673
+    1SOL     O4    4   0.025604   0.085647   0.114210
+    1SOL     H5    5   0.012216   0.015545   0.050423
+    1SOL     H6    6  -0.038246   0.152700   0.089934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016806   0.126365  -0.073347
+    0SOL     H2    2  -0.021013   0.088470   0.006000
+    0SOL     H3    3   0.065724   0.054455  -0.113326
+    1SOL     O4    4  -0.018404  -0.117440   0.064966
+    1SOL     H5    5   0.045990  -0.184348   0.088182
+    1SOL     H6    6  -0.061652  -0.096045   0.147636
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023098  -0.027864  -0.131170
+    0SOL     H2    2  -0.101575   0.018103  -0.161015
+    0SOL     H3    3   0.045785   0.000841  -0.191115
+    1SOL     O4    4   0.029571   0.022241   0.139302
+    1SOL     H5    5   0.006146  -0.006039   0.050906
+    1SOL     H6    6  -0.047787   0.068968   0.170840
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008319  -0.007158   0.135845
+    0SOL     H2    2   0.031026  -0.100051   0.140043
+    0SOL     H3    3   0.044062   0.029954   0.216514
+    1SOL     O4    4  -0.013804   0.016507  -0.142890
+    1SOL     H5    5   0.000392  -0.010169  -0.052065
+    1SOL     H6    6   0.007221  -0.061415  -0.194354
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037675  -0.022550  -0.139979
+    0SOL     H2    2  -0.004842  -0.005222  -0.051751
+    0SOL     H3    3  -0.132947  -0.020511  -0.130961
+    1SOL     O4    4   0.039008   0.022044   0.128706
+    1SOL     H5    5   0.066242  -0.058142   0.173325
+    1SOL     H6    6   0.058241   0.091980   0.191167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102922  -0.103885   0.021100
+    0SOL     H2    2  -0.067087  -0.015142   0.022800
+    0SOL     H3    3  -0.159862  -0.105304  -0.055830
+    1SOL     O4    4   0.101358   0.098858  -0.022929
+    1SOL     H5    5   0.099919   0.170941   0.040034
+    1SOL     H6    6   0.150429   0.029483   0.021133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045941   0.081846   0.103074
+    0SOL     H2    2  -0.068234   0.174049   0.115875
+    0SOL     H3    3  -0.068190   0.040006   0.186241
+    1SOL     O4    4   0.046933  -0.089602  -0.112651
+    1SOL     H5    5   0.132075  -0.061117  -0.079461
+    1SOL     H6    6  -0.016131  -0.031824  -0.069674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009185  -0.021318   0.140907
+    0SOL     H2    2   0.104549  -0.026495   0.134476
+    0SOL     H3    3  -0.006831   0.025840   0.222649
+    1SOL     O4    4  -0.017590   0.024329  -0.146985
+    1SOL     H5    5   0.016368  -0.047957  -0.199747
+    1SOL     H6    6   0.015844   0.007508  -0.058885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018721  -0.087234  -0.112257
+    0SOL     H2    2  -0.035516  -0.135920  -0.174308
+    0SOL     H3    3   0.043356  -0.007577  -0.159270
+    1SOL     O4    4  -0.015459   0.092721   0.120931
+    1SOL     H5    5  -0.018708   0.060255   0.030944
+    1SOL     H6    6  -0.034773   0.016013   0.174831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072140  -0.118414   0.034411
+    0SOL     H2    2  -0.031815  -0.176334  -0.030252
+    0SOL     H3    3  -0.150229  -0.165543   0.063452
+    1SOL     O4    4   0.078802   0.121025  -0.035600
+    1SOL     H5    5   0.046475   0.210964  -0.040912
+    1SOL     H6    6   0.020361   0.078172   0.026935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035577  -0.036145  -0.139953
+    0SOL     H2    2  -0.120931  -0.042319  -0.182835
+    0SOL     H3    3  -0.055579  -0.037631  -0.046358
+    1SOL     O4    4   0.044726   0.034811   0.130807
+    1SOL     H5    5   0.031464  -0.015355   0.211242
+    1SOL     H6    6   0.003701   0.119505   0.148307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139817  -0.057398   0.018042
+    0SOL     H2    2  -0.184816   0.019956   0.052009
+    0SOL     H3    3  -0.057757  -0.023607  -0.017828
+    1SOL     O4    4   0.141812   0.050200  -0.023855
+    1SOL     H5    5   0.100400  -0.006521   0.041184
+    1SOL     H6    6   0.123184   0.139061   0.006459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028697   0.045460  -0.144495
+    0SOL     H2    2  -0.020518  -0.023265  -0.078372
+    0SOL     H3    3   0.025954   0.116897  -0.111747
+    1SOL     O4    4   0.022527  -0.040394   0.138472
+    1SOL     H5    5  -0.012356  -0.127287   0.158346
+    1SOL     H6    6   0.117497  -0.052314   0.137459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001166   0.127378   0.061995
+    0SOL     H2    2   0.020835   0.171403   0.144682
+    0SOL     H3    3  -0.025575   0.197883   0.003035
+    1SOL     O4    4   0.002365  -0.141344  -0.062691
+    1SOL     H5    5   0.028098  -0.057048  -0.025350
+    1SOL     H6    6  -0.074307  -0.121393  -0.116410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011486   0.003237   0.153442
+    0SOL     H2    2  -0.016504   0.006852   0.057923
+    0SOL     H3    3   0.060576  -0.057146   0.171421
+    1SOL     O4    4   0.005794  -0.000475  -0.142955
+    1SOL     H5    5   0.061067   0.066118  -0.183852
+    1SOL     H6    6  -0.019208  -0.058418  -0.214926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071410   0.122565   0.057910
+    0SOL     H2    2  -0.006187   0.181094   0.096415
+    0SOL     H3    3  -0.020118   0.051602   0.019235
+    1SOL     O4    4   0.061932  -0.116413  -0.060583
+    1SOL     H5    5   0.107117  -0.125108   0.023353
+    1SOL     H6    6   0.069316  -0.202920  -0.100887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110199   0.093422  -0.010735
+    0SOL     H2    2  -0.173735   0.136802   0.046218
+    0SOL     H3    3  -0.115254   0.141516  -0.093341
+    1SOL     O4    4   0.119604  -0.099562   0.008757
+    1SOL     H5    5   0.076723  -0.014138   0.013877
+    1SOL     H6    6   0.062167  -0.158234   0.057961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059728  -0.089917  -0.109990
+    0SOL     H2    2  -0.018880  -0.011068  -0.074261
+    0SOL     H3    3   0.008114  -0.129361  -0.164799
+    1SOL     O4    4   0.050103   0.083961   0.106643
+    1SOL     H5    5   0.103971   0.057630   0.181256
+    1SOL     H6    6   0.048116   0.179560   0.111027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111566  -0.093159   0.023642
+    0SOL     H2    2  -0.109008  -0.151156   0.099747
+    0SOL     H3    3  -0.155915  -0.144306  -0.044029
+    1SOL     O4    4   0.116738   0.102926  -0.028465
+    1SOL     H5    5   0.035279   0.053842  -0.039302
+    1SOL     H6    6   0.147520   0.079321   0.059042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030498  -0.005469  -0.155021
+    0SOL     H2    2  -0.077658   0.071430  -0.123009
+    0SOL     H3    3  -0.043008  -0.071420  -0.086784
+    1SOL     O4    4   0.027310   0.003616   0.147108
+    1SOL     H5    5   0.093244   0.072408   0.138015
+    1SOL     H6    6   0.059273  -0.050910   0.218994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032613   0.126905  -0.090052
+    0SOL     H2    2  -0.018189   0.047210  -0.074879
+    0SOL     H3    3   0.039983   0.167477  -0.003670
+    1SOL     O4    4  -0.030220  -0.120244   0.079102
+    1SOL     H5    5   0.013664  -0.205245   0.082469
+    1SOL     H6    6  -0.073738  -0.112323   0.163988
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008756   0.131673  -0.069047
+    0SOL     H2    2  -0.040503   0.115336  -0.149476
+    0SOL     H3    3   0.013040   0.227072  -0.062487
+    1SOL     O4    4  -0.001790  -0.139823   0.076518
+    1SOL     H5    5  -0.095896  -0.155041   0.067880
+    1SOL     H6    6   0.014511  -0.060610   0.025313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072780   0.135514  -0.048471
+    0SOL     H2    2  -0.087588   0.058646   0.006614
+    0SOL     H3    3   0.006322   0.114570  -0.098135
+    1SOL     O4    4   0.065326  -0.131618   0.053830
+    1SOL     H5    5   0.072735  -0.183999  -0.025943
+    1SOL     H6    6   0.117585  -0.053402   0.036121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.148026   0.059180   0.015220
+    0SOL     H2    2  -0.052927   0.065946   0.006695
+    0SOL     H3    3  -0.174675   0.002759  -0.057367
+    1SOL     O4    4   0.145083  -0.050450  -0.008478
+    1SOL     H5    5   0.194068  -0.090640  -0.080224
+    1SOL     H6    6   0.084796  -0.118840   0.020689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011949  -0.014670  -0.149662
+    0SOL     H2    2   0.008115  -0.090781  -0.207582
+    0SOL     H3    3   0.079782   0.041090  -0.187763
+    1SOL     O4    4  -0.014269   0.020971   0.159167
+    1SOL     H5    5  -0.008713   0.021579   0.063610
+    1SOL     H6    6  -0.035824  -0.069608   0.181377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128233  -0.063750   0.082080
+    0SOL     H2    2   0.111699   0.029294   0.066858
+    0SOL     H3    3   0.067222  -0.108831   0.023705
+    1SOL     O4    4  -0.126151   0.059342  -0.084224
+    1SOL     H5    5  -0.085769  -0.003435  -0.024301
+    1SOL     H6    6  -0.125313   0.142205  -0.036315
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014513  -0.126599  -0.093770
+    0SOL     H2    2   0.003878  -0.203345  -0.149978
+    0SOL     H3    3   0.017539  -0.162140  -0.004945
+    1SOL     O4    4  -0.010982   0.135298   0.086004
+    1SOL     H5    5  -0.083751   0.073600   0.093769
+    1SOL     H6    6   0.009416   0.159830   0.176250
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014968   0.042817  -0.167675
+    0SOL     H2    2  -0.012698  -0.045264  -0.192947
+    0SOL     H3    3   0.016786   0.040872  -0.071992
+    1SOL     O4    4  -0.016239  -0.032958   0.159902
+    1SOL     H5    5  -0.038419  -0.125446   0.170687
+    1SOL     H6    6   0.059008  -0.019449   0.217502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064945   0.126717  -0.102869
+    0SOL     H2    2  -0.022894   0.145839  -0.019033
+    0SOL     H3    3  -0.003485   0.068759  -0.147878
+    1SOL     O4    4   0.055241  -0.124872   0.106241
+    1SOL     H5    5   0.087225  -0.202406   0.060112
+    1SOL     H6    6   0.095978  -0.051269   0.060573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099269  -0.070607   0.125178
+    0SOL     H2    2  -0.053335  -0.024815   0.195572
+    0SOL     H3    3  -0.149673  -0.002278   0.080986
+    1SOL     O4    4   0.105179   0.060957  -0.129326
+    1SOL     H5    5   0.084500   0.154098  -0.121617
+    1SOL     H6    6   0.030008   0.016374  -0.090287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135154  -0.105779  -0.009364
+    0SOL     H2    2  -0.196793  -0.062228  -0.068239
+    0SOL     H3    3  -0.091999  -0.171406  -0.064073
+    1SOL     O4    4   0.134820   0.113081   0.013217
+    1SOL     H5    5   0.219351   0.084317   0.047705
+    1SOL     H6    6   0.075555   0.040037   0.030950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030375   0.038992  -0.174457
+    0SOL     H2    2  -0.054056   0.001268  -0.149746
+    0SOL     H3    3   0.095012  -0.024326  -0.143228
+    1SOL     O4    4  -0.029917  -0.038761   0.172780
+    1SOL     H5    5   0.021478   0.029297   0.216242
+    1SOL     H6    6  -0.068063   0.004922   0.096630
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044917   0.167795   0.061815
+    0SOL     H2    2  -0.036354   0.152430   0.013635
+    0SOL     H3    3   0.094439   0.086484   0.051890
+    1SOL     O4    4  -0.036503  -0.158373  -0.056713
+    1SOL     H5    5  -0.086528  -0.215715   0.001354
+    1SOL     H6    6  -0.088721  -0.153868  -0.136810
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007035  -0.003374  -0.177465
+    0SOL     H2    2   0.054331  -0.058089  -0.226486
+    0SOL     H3    3  -0.092875  -0.041898  -0.195063
+    1SOL     O4    4   0.014362   0.011020   0.185381
+    1SOL     H5    5   0.006046  -0.071132   0.136964
+    1SOL     H6    6  -0.067394   0.057605   0.167826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024942  -0.140728  -0.119307
+    0SOL     H2    2   0.041605  -0.110586  -0.181156
+    0SOL     H3    3   0.002869  -0.105158  -0.034906
+    1SOL     O4    4   0.020382   0.144466   0.116437
+    1SOL     H5    5   0.089938   0.079422   0.106767
+    1SOL     H6    6  -0.054493   0.094807   0.149451
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161913   0.066285   0.051302
+    0SOL     H2    2  -0.098538   0.134605   0.073173
+    0SOL     H3    3  -0.203563   0.097067  -0.029197
+    1SOL     O4    4   0.165858  -0.073884  -0.045081
+    1SOL     H5    5   0.086716  -0.039094  -0.003988
+    1SOL     H6    6   0.147448  -0.070898  -0.138967
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.176947   0.007375   0.021692
+    0SOL     H2    2   0.153978   0.055446   0.101215
+    0SOL     H3    3   0.269176  -0.015482   0.033261
+    1SOL     O4    4  -0.179348  -0.016131  -0.025975
+    1SOL     H5    5  -0.253409   0.037047   0.003169
+    1SOL     H6    6  -0.121375   0.045749  -0.070387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141545   0.050041  -0.107868
+    0SOL     H2    2  -0.236665   0.044984  -0.098431
+    0SOL     H3    3  -0.107333   0.006731  -0.029663
+    1SOL     O4    4   0.140453  -0.052607   0.104087
+    1SOL     H5    5   0.174583  -0.014406   0.023228
+    1SOL     H6    6   0.183299  -0.003150   0.173948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.142493  -0.115849  -0.022730
+    0SOL     H2    2  -0.106587  -0.085633  -0.106157
+    0SOL     H3    3  -0.169584  -0.206103  -0.039543
+    1SOL     O4    4   0.141540   0.118580   0.021203
+    1SOL     H5    5   0.152712   0.046642   0.083350
+    1SOL     H6    6   0.135627   0.196882   0.075940
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031989  -0.046130   0.180221
+    0SOL     H2    2   0.118890  -0.068889   0.213275
+    0SOL     H3    3   0.024543   0.048118   0.195195
+    1SOL     O4    4  -0.031294   0.037329  -0.181442
+    1SOL     H5    5  -0.030232   0.131102  -0.162261
+    1SOL     H6    6  -0.115676   0.022521  -0.224137
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095976  -0.106661   0.128261
+    0SOL     H2    2   0.076534  -0.024431   0.173234
+    0SOL     H3    3   0.025746  -0.165893   0.155124
+    1SOL     O4    4  -0.093507   0.105094  -0.126714
+    1SOL     H5    5  -0.013669   0.062809  -0.158340
+    1SOL     H6    6  -0.128671   0.150362  -0.203373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.178754   0.029276  -0.073750
+    0SOL     H2    2  -0.165980  -0.021067  -0.154153
+    0SOL     H3    3  -0.118972   0.103554  -0.082189
+    1SOL     O4    4   0.167846  -0.030765   0.076123
+    1SOL     H5    5   0.196557  -0.000872   0.162404
+    1SOL     H6    6   0.248195  -0.059376   0.032674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122317  -0.161528   0.004071
+    0SOL     H2    2   0.162844  -0.112585  -0.067515
+    0SOL     H3    3   0.043691  -0.111477   0.025868
+    1SOL     O4    4  -0.114998   0.150535  -0.001098
+    1SOL     H5    5  -0.116039   0.232394   0.048504
+    1SOL     H6    6  -0.197575   0.150756  -0.049507
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119821  -0.147378   0.055959
+    0SOL     H2    2   0.127089  -0.204938   0.132094
+    0SOL     H3    3   0.029850  -0.114845   0.058971
+    1SOL     O4    4  -0.116440   0.144152  -0.056896
+    1SOL     H5    5  -0.157607   0.168281  -0.139874
+    1SOL     H6    6  -0.050099   0.211636  -0.042502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040088  -0.131680   0.140263
+    0SOL     H2    2   0.037099  -0.223719   0.166383
+    0SOL     H3    3   0.096560  -0.130487   0.062985
+    1SOL     O4    4  -0.037581   0.138612  -0.139206
+    1SOL     H5    5  -0.121032   0.145114  -0.185639
+    1SOL     H6    6  -0.058627   0.091677  -0.058481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.150412   0.110330  -0.067645
+    0SOL     H2    2   0.163671   0.018986  -0.042293
+    0SOL     H3    3   0.227013   0.131827  -0.120866
+    1SOL     O4    4  -0.157700  -0.111876   0.073073
+    1SOL     H5    5  -0.105161  -0.117071  -0.006771
+    1SOL     H6    6  -0.170627  -0.018096   0.087235
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.170350   0.106191  -0.009517
+    0SOL     H2    2  -0.255672   0.074941   0.020581
+    0SOL     H3    3  -0.166539   0.080550  -0.101660
+    1SOL     O4    4   0.176389  -0.101159   0.007783
+    1SOL     H5    5   0.108090  -0.061414   0.061801
+    1SOL     H6    6   0.209444  -0.173863   0.060544
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047303  -0.193737  -0.058437
+    0SOL     H2    2  -0.047615  -0.142844  -0.139506
+    0SOL     H3    3  -0.116069  -0.154086  -0.004945
+    1SOL     O4    4   0.047031   0.192039   0.056175
+    1SOL     H5    5   0.024014   0.144843   0.136206
+    1SOL     H6    6   0.141067   0.177411   0.045890
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136337  -0.114859   0.108738
+    0SOL     H2    2  -0.151583  -0.072583   0.024224
+    0SOL     H3    3  -0.131879  -0.042541   0.171289
+    1SOL     O4    4   0.141349   0.112159  -0.111158
+    1SOL     H5    5   0.115665   0.119574  -0.019246
+    1SOL     H6    6   0.091884   0.037042  -0.143913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025632   0.043443  -0.203609
+    0SOL     H2    2  -0.069588   0.115097  -0.249390
+    0SOL     H3    3  -0.075777   0.032219  -0.122852
+    1SOL     O4    4   0.025802  -0.047157   0.198664
+    1SOL     H5    5   0.054177  -0.082032   0.283168
+    1SOL     H6    6   0.105515  -0.011564   0.159404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.202940  -0.043141  -0.066040
+    0SOL     H2    2   0.130445  -0.105644  -0.066505
+    0SOL     H3    3   0.281434  -0.097374  -0.073778
+    1SOL     O4    4  -0.197419   0.053332   0.067854
+    1SOL     H5    5  -0.217356  -0.039461   0.080268
+    1SOL     H6    6  -0.278252   0.090770   0.032829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.167286   0.139922   0.039368
+    0SOL     H2    2  -0.204259   0.226713   0.023164
+    0SOL     H3    3  -0.108654   0.152365   0.114000
+    1SOL     O4    4   0.161432  -0.148860  -0.043971
+    1SOL     H5    5   0.161724  -0.054121  -0.030305
+    1SOL     H6    6   0.252696  -0.175118  -0.031982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024124  -0.188065   0.131302
+    0SOL     H2    2  -0.040807  -0.102765   0.091203
+    0SOL     H3    3  -0.017296  -0.169622   0.224980
+    1SOL     O4    4   0.025729   0.176671  -0.129809
+    1SOL     H5    5  -0.009997   0.264110  -0.114304
+    1SOL     H6    6   0.045102   0.174935  -0.223532
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055970  -0.199246   0.121588
+    0SOL     H2    2   0.022111  -0.235760   0.079967
+    0SOL     H3    3  -0.071706  -0.255996   0.197048
+    1SOL     O4    4   0.055971   0.200106  -0.119549
+    1SOL     H5    5   0.031471   0.290405  -0.099346
+    1SOL     H6    6   0.021359   0.184952  -0.207496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052742  -0.208417   0.119755
+    0SOL     H2    2  -0.051409  -0.288910   0.171538
+    0SOL     H3    3  -0.136338  -0.211206   0.073211
+    1SOL     O4    4   0.053707   0.217227  -0.121434
+    1SOL     H5    5   0.065189   0.133951  -0.167213
+    1SOL     H6    6   0.114977   0.212902  -0.048020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.182329  -0.107682   0.168591
+    0SOL     H2    2   0.102220  -0.150099   0.137839
+    0SOL     H3    3   0.158513  -0.015464   0.178130
+    1SOL     O4    4  -0.181624   0.102985  -0.171514
+    1SOL     H5    5  -0.177217   0.165747  -0.099376
+    1SOL     H6    6  -0.094071   0.064473  -0.175199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015368  -0.281069   0.085897
+    0SOL     H2    2  -0.037855  -0.212976   0.127043
+    0SOL     H3    3   0.095257  -0.235913   0.058677
+    1SOL     O4    4  -0.022699   0.276001  -0.084496
+    1SOL     H5    5   0.012649   0.327427  -0.157078
+    1SOL     H6    6   0.051583   0.224325  -0.053285
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.160178  -0.056955   0.255937
+    0SOL     H2    2  -0.099847  -0.063773   0.181937
+    0SOL     H3    3  -0.112337  -0.005928   0.321281
+    1SOL     O4    4   0.155747   0.051875  -0.250062
+    1SOL     H5    5   0.135036   0.007134  -0.332109
+    1SOL     H6    6   0.144600   0.144841  -0.269946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022972   0.268536  -0.249798
+    0SOL     H2    2   0.021775   0.349415  -0.198616
+    0SOL     H3    3  -0.065773   0.261016  -0.284871
+    1SOL     O4    4  -0.014763  -0.277621   0.249296
+    1SOL     H5    5  -0.025809  -0.208040   0.314094
+    1SOL     H6    6  -0.067533  -0.249429   0.174577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127036  -0.341726  -0.105917
+    0SOL     H2    2   0.201404  -0.281582  -0.102110
+    0SOL     H3    3   0.079658  -0.316323  -0.185115
+    1SOL     O4    4  -0.126436   0.339604   0.104392
+    1SOL     H5    5  -0.181080   0.265438   0.130387
+    1SOL     H6    6  -0.101344   0.381028   0.186956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071991  -0.255710  -0.264687
+    0SOL     H2    2  -0.144432  -0.288255  -0.211251
+    0SOL     H3    3  -0.026501  -0.334635  -0.294077
+    1SOL     O4    4   0.071024   0.268101   0.261273
+    1SOL     H5    5   0.036074   0.179828   0.249080
+    1SOL     H6    6   0.154841   0.254821   0.305554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125886   0.391853  -0.040064
+    0SOL     H2    2  -0.147409   0.485105  -0.041846
+    0SOL     H3    3  -0.204373   0.349774  -0.004970
+    1SOL     O4    4   0.136936  -0.392723   0.039973
+    1SOL     H5    5   0.082596  -0.360544  -0.031957
+    1SOL     H6    6   0.082720  -0.458572   0.083410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.206773   0.356554   0.076878
+    0SOL     H2    2  -0.270280   0.426777   0.090949
+    0SOL     H3    3  -0.174861   0.335136   0.164544
+    1SOL     O4    4   0.202010  -0.358454  -0.082108
+    1SOL     H5    5   0.254833  -0.428291  -0.043445
+    1SOL     H6    6   0.263156  -0.310029  -0.137592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.354708   0.279405   0.127004
+    0SOL     H2    2  -0.311247   0.194734   0.116795
+    0SOL     H3    3  -0.363002   0.290864   0.221673
+    1SOL     O4    4   0.346104  -0.273570  -0.131041
+    1SOL     H5    5   0.423479  -0.217885  -0.139687
+    1SOL     H6    6   0.380275  -0.362900  -0.134887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000496   0.474369   0.092622
+    0SOL     H2    2  -0.047468   0.396436   0.062917
+    0SOL     H3    3   0.091940   0.449998   0.087726
+    1SOL     O4    4  -0.004410  -0.475103  -0.090875
+    1SOL     H5    5   0.029004  -0.420872  -0.162322
+    1SOL     H6    6  -0.001691  -0.417995  -0.014105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113369  -0.113887  -0.456145
+    0SOL     H2    2   0.099174  -0.194550  -0.505686
+    0SOL     H3    3   0.136868  -0.143545  -0.368221
+    1SOL     O4    4  -0.117035   0.122265   0.448557
+    1SOL     H5    5  -0.149213   0.119097   0.538650
+    1SOL     H6    6  -0.029151   0.084610   0.453124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.460661  -0.145988   0.212923
+    0SOL     H2    2  -0.439792  -0.173706   0.302134
+    0SOL     H3    3  -0.554064  -0.164554   0.203254
+    1SOL     O4    4   0.464130   0.141773  -0.216325
+    1SOL     H5    5   0.462050   0.211645  -0.150935
+    1SOL     H6    6   0.477870   0.187132  -0.299487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077673   0.528111  -0.030747
+    0SOL     H2    2  -0.067195   0.468098   0.043084
+    0SOL     H3    3  -0.154415   0.580701  -0.008223
+    1SOL     O4    4   0.088605  -0.527553   0.025448
+    1SOL     H5    5   0.030103  -0.517949  -0.049702
+    1SOL     H6    6   0.029959  -0.539725   0.100113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.481632   0.238325  -0.020613
+    0SOL     H2    2  -0.498081   0.300692  -0.091338
+    0SOL     H3    3  -0.526844   0.275470   0.055139
+    1SOL     O4    4   0.477833  -0.244888   0.020077
+    1SOL     H5    5   0.533905  -0.196874   0.081010
+    1SOL     H6    6   0.538547  -0.283587  -0.042999
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.286059  -0.458781   0.081007
+    0SOL     H2    2  -0.353334  -0.392021   0.067613
+    0SOL     H3    3  -0.319386  -0.535958   0.035231
+    1SOL     O4    4   0.292519   0.465703  -0.076231
+    1SOL     H5    5   0.233919   0.436244  -0.145949
+    1SOL     H6    6   0.325386   0.384924  -0.036775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.547552   0.095059   0.006694
+    0SOL     H2    2   0.545027   0.180113  -0.037144
+    0SOL     H3    3   0.619828   0.102324   0.069029
+    1SOL     O4    4  -0.553240  -0.099847  -0.013522
+    1SOL     H5    5  -0.552691  -0.177198   0.042860
+    1SOL     H6    6  -0.516063  -0.030320   0.040757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.414421  -0.436487   0.060958
+    0SOL     H2    2  -0.502626  -0.462822   0.087197
+    0SOL     H3    3  -0.389232  -0.500213  -0.005877
+    1SOL     O4    4   0.423240   0.443950  -0.056078
+    1SOL     H5    5   0.402578   0.350969  -0.065558
+    1SOL     H6    6   0.349514   0.489215  -0.097042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.577498   0.339520  -0.196727
+    0SOL     H2    2   0.613880   0.400154  -0.261242
+    0SOL     H3    3   0.483452   0.357331  -0.197418
+    1SOL     O4    4  -0.579105  -0.340928   0.204345
+    1SOL     H5    5  -0.536445  -0.307416   0.125482
+    1SOL     H6    6  -0.537641  -0.425798   0.219838
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.207305  -0.680049  -0.106349
+    0SOL     H2    2  -0.128930  -0.633421  -0.135427
+    0SOL     H3    3  -0.237899  -0.726478  -0.184263
+    1SOL     O4    4   0.203083   0.673590   0.114974
+    1SOL     H5    5   0.274403   0.708136   0.061286
+    1SOL     H6    6   0.150057   0.750273   0.136662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.556785  -0.343581  -0.348559
+    0SOL     H2    2  -0.594117  -0.333593  -0.436131
+    0SOL     H3    3  -0.555963  -0.254892  -0.312562
+    1SOL     O4    4   0.564254   0.339087   0.355944
+    1SOL     H5    5   0.517096   0.257617   0.338592
+    1SOL     H6    6   0.522371   0.403650   0.299026
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.699936   0.158904  -0.497472
+    0SOL     H2    2   0.755940   0.221526  -0.451600
+    0SOL     H3    3   0.655644   0.210936  -0.564504
+    1SOL     O4    4  -0.702163  -0.164987   0.503968
+    1SOL     H5    5  -0.613710  -0.157921   0.468072
+    1SOL     H6    6  -0.758886  -0.170658   0.427074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.417566  -0.276734  -0.727118
+    0SOL     H2    2  -0.467337  -0.201693  -0.759582
+    0SOL     H3    3  -0.351765  -0.292949  -0.794717
+    1SOL     O4    4   0.419019   0.268705   0.736664
+    1SOL     H5    5   0.383358   0.355297   0.756476
+    1SOL     H6    6   0.418984   0.264037   0.641058
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.816866   0.348152   0.085103
+    0SOL     H2    2  -0.838594   0.272583   0.139688
+    0SOL     H3    3  -0.829885   0.317478  -0.004630
+    1SOL     O4    4   0.822027  -0.348165  -0.079975
+    1SOL     H5    5   0.856651  -0.259184  -0.086746
+    1SOL     H6    6   0.734318  -0.342739  -0.117921
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.931296   0.046586   0.270800
+    0SOL     H2    2  -0.982895  -0.033279   0.259777
+    0SOL     H3    3  -0.907877   0.047409   0.363607
+    1SOL     O4    4   0.935771  -0.047237  -0.272867
+    1SOL     H5    5   0.919615  -0.026519  -0.364911
+    1SOL     H6    6   0.901388   0.028130  -0.224911
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026721  -0.024991   0.120929
+    0SOL     H2    2  -0.002505  -0.115036   0.135071
+    0SOL     H3    3   0.117965  -0.024552   0.149852
+    1SOL     O4    4  -0.026861   0.032273  -0.129933
+    1SOL     H5    5   0.002602  -0.022554  -0.057213
+    1SOL     H6    6  -0.112187   0.065426  -0.101956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046625  -0.099782  -0.080131
+    0SOL     H2    2  -0.134685  -0.122293  -0.050116
+    0SOL     H3    3  -0.023426  -0.021621  -0.029981
+    1SOL     O4    4   0.053854   0.091000   0.072918
+    1SOL     H5    5   0.049523   0.179681   0.037151
+    1SOL     H6    6  -0.002906   0.093395   0.149956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019353  -0.098898   0.076186
+    0SOL     H2    2   0.003252  -0.191292   0.065478
+    0SOL     H3    3  -0.041151  -0.090123   0.168977
+    1SOL     O4    4   0.016230   0.105680  -0.087931
+    1SOL     H5    5  -0.001755   0.027162  -0.036223
+    1SOL     H6    6   0.078229   0.155691  -0.034851
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120246  -0.041562   0.014130
+    0SOL     H2    2  -0.163973   0.000298  -0.060018
+    0SOL     H3    3  -0.191439  -0.066259   0.073153
+    1SOL     O4    4   0.128683   0.045660  -0.018324
+    1SOL     H5    5   0.186257   0.008986   0.048777
+    1SOL     H6    6   0.044740   0.001783  -0.004514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029396   0.025535   0.122987
+    0SOL     H2    2   0.018156   0.009041   0.204406
+    0SOL     H3    3  -0.078138   0.106226   0.139587
+    1SOL     O4    4   0.035411  -0.031179  -0.131459
+    1SOL     H5    5   0.022157  -0.015000  -0.038052
+    1SOL     H6    6  -0.048846  -0.010051  -0.171667
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018472   0.005009  -0.137406
+    0SOL     H2    2  -0.009706  -0.026102  -0.051380
+    0SOL     H3    3  -0.042337   0.075890  -0.158393
+    1SOL     O4    4  -0.015487  -0.010001   0.127634
+    1SOL     H5    5  -0.063583   0.055590   0.178101
+    1SOL     H6    6   0.061254  -0.029995   0.181238
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102436  -0.077384  -0.057616
+    0SOL     H2    2   0.042590  -0.142429  -0.094357
+    0SOL     H3    3   0.047896  -0.025070   0.001129
+    1SOL     O4    4  -0.094013   0.071562   0.056783
+    1SOL     H5    5  -0.118242   0.117126  -0.023835
+    1SOL     H6    6  -0.110251   0.135397   0.126236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030902   0.046382  -0.124947
+    0SOL     H2    2   0.125785   0.057686  -0.119310
+    0SOL     H3    3  -0.005043   0.120796  -0.076647
+    1SOL     O4    4  -0.028563  -0.055200   0.123536
+    1SOL     H5    5  -0.091825  -0.015307   0.183275
+    1SOL     H6    6  -0.056293  -0.026481   0.036538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104555  -0.092325   0.011971
+    0SOL     H2    2  -0.185433  -0.043555   0.027543
+    0SOL     H3    3  -0.035549  -0.026075   0.015369
+    1SOL     O4    4   0.099671   0.087522  -0.008832
+    1SOL     H5    5   0.173037   0.028894   0.009676
+    1SOL     H6    6   0.113374   0.115257  -0.099415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006671  -0.042841   0.123232
+    0SOL     H2    2   0.070195  -0.033587   0.179519
+    0SOL     H3    3  -0.080020  -0.014828   0.177982
+    1SOL     O4    4   0.012253   0.039584  -0.133910
+    1SOL     H5    5   0.001018   0.029406  -0.039398
+    1SOL     H6    6  -0.074174   0.065732  -0.165674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086436   0.109343   0.013687
+    0SOL     H2    2  -0.010252   0.053149  -0.000474
+    0SOL     H3    3  -0.054899   0.178240   0.072176
+    1SOL     O4    4   0.076656  -0.104862  -0.015884
+    1SOL     H5    5   0.128409  -0.139800   0.056664
+    1SOL     H6    6   0.095131  -0.163720  -0.089073
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008300   0.087875   0.097868
+    0SOL     H2    2   0.018401   0.023754   0.168216
+    0SOL     H3    3  -0.002979   0.171500   0.143056
+    1SOL     O4    4  -0.004254  -0.089709  -0.109857
+    1SOL     H5    5  -0.078827  -0.145503  -0.087759
+    1SOL     H6    6   0.001399  -0.027401  -0.037414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078275   0.057578  -0.105599
+    0SOL     H2    2   0.023637   0.051501  -0.027240
+    0SOL     H3    3   0.110045  -0.031611  -0.119680
+    1SOL     O4    4  -0.072744  -0.055024   0.097705
+    1SOL     H5    5  -0.165527  -0.036143   0.083664
+    1SOL     H6    6  -0.053399  -0.017679   0.183690
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030073   0.080326   0.100854
+    0SOL     H2    2   0.088621   0.100829   0.173752
+    0SOL     H3    3  -0.055136   0.114271   0.128232
+    1SOL     O4    4  -0.034567  -0.086205  -0.106965
+    1SOL     H5    5  -0.003275  -0.047021  -0.025431
+    1SOL     H6    6   0.036345  -0.071313  -0.169512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034724  -0.100064  -0.077606
+    0SOL     H2    2  -0.089151  -0.090289  -0.155738
+    0SOL     H3    3  -0.006159  -0.191402  -0.079530
+    1SOL     O4    4   0.038023   0.104012   0.088220
+    1SOL     H5    5   0.046438   0.182116   0.033527
+    1SOL     H6    6  -0.005819   0.040038   0.032118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100713  -0.076392  -0.044817
+    0SOL     H2    2  -0.084169  -0.141558  -0.112949
+    0SOL     H3    3  -0.157516  -0.121136   0.017902
+    1SOL     O4    4   0.101861   0.089521   0.043918
+    1SOL     H5    5   0.185587   0.047472   0.063518
+    1SOL     H6    6   0.038103   0.018155   0.045964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035020   0.070463   0.121847
+    0SOL     H2    2  -0.016182   0.046013   0.031240
+    0SOL     H3    3   0.037375   0.033333   0.172271
+    1SOL     O4    4   0.027103  -0.062446  -0.115915
+    1SOL     H5    5   0.052983  -0.060716  -0.208054
+    1SOL     H6    6   0.054745  -0.148657  -0.084837
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009964   0.132127  -0.013180
+    0SOL     H2    2  -0.059486   0.211421   0.007373
+    0SOL     H3    3   0.066146   0.163372  -0.062103
+    1SOL     O4    4   0.012388  -0.142862   0.019463
+    1SOL     H5    5  -0.047966  -0.171897  -0.048923
+    1SOL     H6    6   0.007477  -0.047304   0.016816
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029241  -0.097801   0.098757
+    0SOL     H2    2   0.035692  -0.147519   0.148497
+    0SOL     H3    3   0.022080  -0.048989   0.034369
+    1SOL     O4    4   0.025675   0.095617  -0.093537
+    1SOL     H5    5  -0.001959   0.052251  -0.174271
+    1SOL     H6    6  -0.014603   0.182342  -0.097881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106339   0.040301   0.080948
+    0SOL     H2    2  -0.134043   0.057984   0.170849
+    0SOL     H3    3  -0.010865   0.035444   0.085773
+    1SOL     O4    4   0.106805  -0.039425  -0.081471
+    1SOL     H5    5   0.092255  -0.125954  -0.119725
+    1SOL     H6    6   0.044592   0.017569  -0.126677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012389   0.055870   0.134456
+    0SOL     H2    2  -0.034888   0.036376   0.043483
+    0SOL     H3    3   0.015766  -0.028112   0.170740
+    1SOL     O4    4   0.010303  -0.043171  -0.127381
+    1SOL     H5    5  -0.024096  -0.131063  -0.111442
+    1SOL     H6    6   0.072336  -0.054376  -0.199414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085332  -0.072019   0.084831
+    0SOL     H2    2  -0.094445  -0.051807  -0.008286
+    0SOL     H3    3  -0.172364  -0.056279   0.121436
+    1SOL     O4    4   0.085743   0.070745  -0.086391
+    1SOL     H5    5   0.168711   0.024370  -0.097706
+    1SOL     H6    6   0.088850   0.103946   0.003332
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085737  -0.111070  -0.002505
+    0SOL     H2    2   0.147607  -0.101733  -0.074943
+    0SOL     H3    3   0.017710  -0.169260  -0.036396
+    1SOL     O4    4  -0.086418   0.119412   0.004743
+    1SOL     H5    5  -0.002397   0.082978   0.032587
+    1SOL     H6    6  -0.151591   0.057982   0.038524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111680   0.051955   0.061003
+    0SOL     H2    2  -0.179296   0.110547   0.026985
+    0SOL     H3    3  -0.086652   0.090405   0.145012
+    1SOL     O4    4   0.117888  -0.057535  -0.070798
+    1SOL     H5    5   0.122598  -0.127142  -0.005261
+    1SOL     H6    6   0.059704   0.007914  -0.032153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020858  -0.052077   0.126354
+    0SOL     H2    2  -0.014702   0.013692   0.195628
+    0SOL     H3    3  -0.076052  -0.120919   0.163458
+    1SOL     O4    4   0.029566   0.054729  -0.133002
+    1SOL     H5    5  -0.041329   0.057049  -0.197274
+    1SOL     H6    6  -0.008346   0.010518  -0.057039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073858   0.065478   0.096194
+    0SOL     H2    2   0.105439   0.028424   0.178608
+    0SOL     H3    3   0.125990   0.144827   0.084020
+    1SOL     O4    4  -0.084346  -0.069703  -0.099315
+    1SOL     H5    5  -0.027016  -0.082969  -0.174811
+    1SOL     H6    6  -0.029582  -0.024282  -0.035282
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020660  -0.127080   0.057031
+    0SOL     H2    2   0.010919  -0.212470   0.086587
+    0SOL     H3    3  -0.067024  -0.145592  -0.024639
+    1SOL     O4    4   0.018159   0.133817  -0.059188
+    1SOL     H5    5   0.058133   0.202387  -0.005686
+    1SOL     H6    6   0.041157   0.052224  -0.014735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036156   0.129000  -0.035618
+    0SOL     H2    2   0.020639   0.205348  -0.045996
+    0SOL     H3    3  -0.124918   0.163763  -0.044283
+    1SOL     O4    4   0.034948  -0.141995   0.036270
+    1SOL     H5    5   0.013986  -0.061444  -0.011000
+    1SOL     H6    6   0.109139  -0.118501   0.092002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047442   0.138073  -0.044539
+    0SOL     H2    2   0.044723   0.119238  -0.062233
+    0SOL     H3    3  -0.083878   0.054460  -0.015494
+    1SOL     O4    4   0.047513  -0.131069   0.038149
+    1SOL     H5    5  -0.017351  -0.199149   0.056039
+    1SOL     H6    6   0.054131  -0.082091   0.120124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020188  -0.146665  -0.001674
+    0SOL     H2    2  -0.022528  -0.062948   0.016467
+    0SOL     H3    3  -0.050537  -0.211045   0.002264
+    1SOL     O4    4  -0.009123   0.140165   0.003143
+    1SOL     H5    5  -0.014671   0.173428  -0.086440
+    1SOL     H6    6  -0.074393   0.190707   0.051595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.134349   0.062875   0.005067
+    0SOL     H2    2   0.162515   0.124248  -0.062774
+    0SOL     H3    3   0.038864   0.061934  -0.001567
+    1SOL     O4    4  -0.126545  -0.060159  -0.002018
+    1SOL     H5    5  -0.218953  -0.076040  -0.021278
+    1SOL     H6    6  -0.095654  -0.142108   0.036613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122987  -0.050351   0.046883
+    0SOL     H2    2   0.164130  -0.109540   0.109860
+    0SOL     H3    3   0.162240  -0.073746  -0.037226
+    1SOL     O4    4  -0.133000   0.057285  -0.043282
+    1SOL     H5    5  -0.061568   0.007014  -0.004131
+    1SOL     H6    6  -0.105716   0.071112  -0.133983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075129   0.093943  -0.078455
+    0SOL     H2    2   0.159589   0.087062  -0.033942
+    0SOL     H3    3   0.048310   0.184856  -0.065122
+    1SOL     O4    4  -0.084908  -0.097734   0.078612
+    1SOL     H5    5  -0.034656  -0.178423   0.067375
+    1SOL     H6    6  -0.033814  -0.031053   0.032726
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126055   0.032611   0.064249
+    0SOL     H2    2   0.153518   0.109945   0.113520
+    0SOL     H3    3   0.075345  -0.019008   0.126910
+    1SOL     O4    4  -0.129681  -0.030384  -0.071563
+    1SOL     H5    5  -0.049593  -0.008368  -0.023986
+    1SOL     H6    6  -0.113237  -0.117725  -0.107109
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.081954  -0.129477  -0.010791
+    0SOL     H2    2  -0.009076  -0.074223  -0.039043
+    0SOL     H3    3  -0.138494  -0.070797   0.039431
+    1SOL     O4    4   0.075717   0.124708   0.012916
+    1SOL     H5    5   0.164202   0.115156   0.048150
+    1SOL     H6    6   0.085262   0.107849  -0.080823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047757   0.053435  -0.122627
+    0SOL     H2    2  -0.071455   0.140869  -0.153546
+    0SOL     H3    3  -0.104607  -0.005694  -0.171965
+    1SOL     O4    4   0.057064  -0.059407   0.128633
+    1SOL     H5    5   0.047628  -0.007235   0.048938
+    1SOL     H6    6  -0.017159  -0.033469   0.183226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136664  -0.025461  -0.048371
+    0SOL     H2    2  -0.205679   0.028812  -0.086499
+    0SOL     H3    3  -0.071837  -0.034424  -0.118223
+    1SOL     O4    4   0.142444   0.022600   0.058539
+    1SOL     H5    5   0.119109   0.090085  -0.005208
+    1SOL     H6    6   0.069630  -0.039460   0.055529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040529  -0.122313  -0.084621
+    0SOL     H2    2   0.031449  -0.089198   0.004729
+    0SOL     H3    3  -0.049439  -0.133988  -0.115146
+    1SOL     O4    4  -0.040979   0.117419   0.080388
+    1SOL     H5    5   0.023460   0.121196   0.151068
+    1SOL     H6    6  -0.003289   0.171080   0.010658
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063840   0.079112   0.106363
+    0SOL     H2    2  -0.081424   0.126887   0.187422
+    0SOL     H3    3  -0.140679   0.023337   0.094227
+    1SOL     O4    4   0.069957  -0.084029  -0.107240
+    1SOL     H5    5   0.041075   0.000864  -0.073753
+    1SOL     H6    6   0.080628  -0.070327  -0.201371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025403  -0.138362   0.049007
+    0SOL     H2    2   0.053331  -0.141554   0.103348
+    0SOL     H3    3  -0.095820  -0.167224   0.107065
+    1SOL     O4    4   0.031615   0.141648  -0.054351
+    1SOL     H5    5  -0.035975   0.194241  -0.097104
+    1SOL     H6    6  -0.013502   0.061471  -0.027923
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073079  -0.104582  -0.076720
+    0SOL     H2    2  -0.122342  -0.139909  -0.002642
+    0SOL     H3    3  -0.138380  -0.093347  -0.145799
+    1SOL     O4    4   0.085003   0.107350   0.081040
+    1SOL     H5    5   0.074634   0.028718   0.027451
+    1SOL     H6    6   0.007407   0.159962   0.061722
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135624   0.057147  -0.014911
+    0SOL     H2    2  -0.211337   0.036959   0.040064
+    0SOL     H3    3  -0.153947   0.144332  -0.049916
+    1SOL     O4    4   0.146716  -0.064171   0.016938
+    1SOL     H5    5   0.097781   0.013319   0.044560
+    1SOL     H6    6   0.104305  -0.091616  -0.064366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004894  -0.111116   0.106489
+    0SOL     H2    2   0.067820  -0.158228   0.147175
+    0SOL     H3    3  -0.007968  -0.144521   0.016840
+    1SOL     O4    4   0.003901   0.121753  -0.101322
+    1SOL     H5    5  -0.074958   0.077800  -0.069514
+    1SOL     H6    6   0.037521   0.064064  -0.169907
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126812  -0.012261   0.079030
+    0SOL     H2    2  -0.129545  -0.045037   0.168923
+    0SOL     H3    3  -0.192692   0.057144   0.076778
+    1SOL     O4    4   0.131770   0.017686  -0.083361
+    1SOL     H5    5   0.050314  -0.032553  -0.081539
+    1SOL     H6    6   0.199962  -0.047712  -0.098703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042525  -0.142289   0.011880
+    0SOL     H2    2  -0.001080  -0.213254   0.059049
+    0SOL     H3    3   0.115822  -0.184649  -0.032791
+    1SOL     O4    4  -0.046036   0.152454  -0.006563
+    1SOL     H5    5  -0.016526   0.061760  -0.014683
+    1SOL     H6    6  -0.047134   0.185469  -0.096403
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024093   0.042187   0.148105
+    0SOL     H2    2   0.019518   0.062552   0.230843
+    0SOL     H3    3  -0.019505  -0.053187   0.141398
+    1SOL     O4    4   0.026005  -0.038072  -0.147651
+    1SOL     H5    5   0.020972  -0.097858  -0.222234
+    1SOL     H6    6  -0.050250   0.018955  -0.157418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040366   0.126964  -0.081880
+    0SOL     H2    2   0.003540   0.205364  -0.122619
+    0SOL     H3    3   0.007751   0.054567  -0.135333
+    1SOL     O4    4  -0.036567  -0.124841   0.094163
+    1SOL     H5    5   0.038425  -0.154958   0.042865
+    1SOL     H6    6  -0.110841  -0.131249   0.034125
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004160   0.159898   0.041795
+    0SOL     H2    2  -0.005908   0.073943  -0.000288
+    0SOL     H3    3  -0.069897   0.154017   0.111123
+    1SOL     O4    4   0.012084  -0.149421  -0.044904
+    1SOL     H5    5  -0.049300  -0.199992  -0.098166
+    1SOL     H6    6   0.004158  -0.186806   0.042856
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050550   0.131487  -0.068066
+    0SOL     H2    2   0.045110   0.227048  -0.067186
+    0SOL     H3    3   0.144029   0.112692  -0.059654
+    1SOL     O4    4  -0.059814  -0.140444   0.066112
+    1SOL     H5    5  -0.034057  -0.068675   0.008249
+    1SOL     H6    6  -0.005683  -0.128914   0.144209
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003168  -0.138749  -0.092315
+    0SOL     H2    2   0.020227  -0.199001  -0.021713
+    0SOL     H3    3  -0.033697  -0.059900  -0.047447
+    1SOL     O4    4   0.006188   0.131232   0.085882
+    1SOL     H5    5  -0.060740   0.173217   0.139922
+    1SOL     H6    6   0.028199   0.196790   0.019701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016232   0.071727   0.141134
+    0SOL     H2    2   0.019751   0.006551   0.201298
+    0SOL     H3    3   0.020609   0.154874   0.170993
+    1SOL     O4    4   0.008850  -0.074213  -0.152062
+    1SOL     H5    5   0.033817   0.013985  -0.124493
+    1SOL     H6    6   0.039401  -0.131015  -0.081334
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029760   0.084759   0.145796
+    0SOL     H2    2  -0.033826   0.071205   0.075543
+    0SOL     H3    3   0.089350   0.010163   0.138951
+    1SOL     O4    4  -0.030895  -0.076710  -0.134714
+    1SOL     H5    5  -0.088391  -0.078897  -0.211211
+    1SOL     H6    6   0.049980  -0.118515  -0.164276
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054581   0.084638   0.133593
+    0SOL     H2    2  -0.033476   0.097840   0.168719
+    0SOL     H3    3   0.056170   0.136041   0.052861
+    1SOL     O4    4  -0.054957  -0.089365  -0.129582
+    1SOL     H5    5  -0.013794  -0.068710  -0.213495
+    1SOL     H6    6   0.017988  -0.095332  -0.067892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095430   0.052020  -0.124095
+    0SOL     H2    2   0.143766   0.132264  -0.143766
+    0SOL     H3    3   0.161091  -0.007154  -0.087360
+    1SOL     O4    4  -0.107752  -0.056647   0.125225
+    1SOL     H5    5  -0.098598  -0.011908   0.041101
+    1SOL     H6    6  -0.023878  -0.042564   0.169147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112356   0.046321  -0.118065
+    0SOL     H2    2   0.122035   0.009227  -0.030357
+    0SOL     H3    3   0.157170  -0.015796  -0.175472
+    1SOL     O4    4  -0.115693  -0.045615   0.120882
+    1SOL     H5    5  -0.087096   0.045146   0.131227
+    1SOL     H6    6  -0.141810  -0.052226   0.029031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000834  -0.126091  -0.117027
+    0SOL     H2    2   0.046106  -0.207269  -0.094162
+    0SOL     H3    3  -0.021359  -0.086440  -0.032780
+    1SOL     O4    4  -0.005820   0.123185   0.110385
+    1SOL     H5    5   0.075185   0.146358   0.155812
+    1SOL     H6    6  -0.031605   0.203361   0.064897
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105929  -0.044118   0.125423
+    0SOL     H2    2   0.098802   0.050128   0.110280
+    0SOL     H3    3   0.196399  -0.065339   0.102464
+    1SOL     O4    4  -0.116749   0.037848  -0.125524
+    1SOL     H5    5  -0.044035  -0.022300  -0.109488
+    1SOL     H6    6  -0.083479   0.123451  -0.098550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087394  -0.086657   0.130267
+    0SOL     H2    2   0.005067  -0.073404   0.109349
+    0SOL     H3    3  -0.131987  -0.011994   0.090277
+    1SOL     O4    4   0.084230   0.075371  -0.128950
+    1SOL     H5    5   0.015032   0.137867  -0.107313
+    1SOL     H6    6   0.165513   0.121305  -0.107843
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048095  -0.100337   0.128940
+    0SOL     H2    2   0.028812  -0.065532   0.174064
+    0SOL     H3    3  -0.114454  -0.108513   0.197439
+    1SOL     O4    4   0.052500   0.103706  -0.132264
+    1SOL     H5    5   0.010087   0.095410  -0.217673
+    1SOL     H6    6   0.015486   0.032515  -0.080072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.151789  -0.037740  -0.081279
+    0SOL     H2    2  -0.155595   0.047791  -0.124084
+    0SOL     H3    3  -0.170611  -0.019374   0.010758
+    1SOL     O4    4   0.156227   0.036192   0.080675
+    1SOL     H5    5   0.106223   0.035021  -0.000937
+    1SOL     H6    6   0.139556  -0.049348   0.120264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046462  -0.066631   0.151247
+    0SOL     H2    2  -0.019079   0.001976   0.212121
+    0SOL     H3    3  -0.130707  -0.096711   0.185309
+    1SOL     O4    4   0.053604   0.062476  -0.152150
+    1SOL     H5    5  -0.041734   0.055204  -0.156642
+    1SOL     H6    6   0.077562   0.112472  -0.230180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092819   0.161981  -0.000746
+    0SOL     H2    2  -0.058214   0.072995   0.006060
+    0SOL     H3    3  -0.185250   0.150176  -0.022645
+    1SOL     O4    4   0.099254  -0.154756   0.007276
+    1SOL     H5    5   0.087870  -0.105260  -0.073859
+    1SOL     H6    6   0.052351  -0.236808  -0.007886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.157840  -0.081046  -0.059005
+    0SOL     H2    2   0.175433   0.008561  -0.030307
+    0SOL     H3    3   0.120567  -0.071301  -0.146629
+    1SOL     O4    4  -0.152190   0.081209   0.064222
+    1SOL     H5    5  -0.184382   0.007928   0.116718
+    1SOL     H6    6  -0.194668   0.070268  -0.020857
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.173143  -0.042324  -0.035185
+    0SOL     H2    2  -0.147939  -0.128986  -0.003300
+    0SOL     H3    3  -0.239698  -0.059667  -0.101759
+    1SOL     O4    4   0.179702   0.046201   0.032424
+    1SOL     H5    5   0.146866   0.134222   0.050766
+    1SOL     H6    6   0.139285  -0.008936   0.099422
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011263  -0.128733  -0.132446
+    0SOL     H2    2  -0.035372  -0.124236  -0.048976
+    0SOL     H3    3  -0.019081  -0.210187  -0.172531
+    1SOL     O4    4  -0.009383   0.129251   0.124899
+    1SOL     H5    5   0.059627   0.193478   0.108321
+    1SOL     H6    6  -0.027587   0.137212   0.218534
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066645  -0.175119   0.001706
+    0SOL     H2    2   0.091900  -0.220637  -0.078623
+    0SOL     H3    3   0.137803  -0.193435   0.063053
+    1SOL     O4    4  -0.073312   0.181772   0.004646
+    1SOL     H5    5  -0.003034   0.201337  -0.057326
+    1SOL     H6    6  -0.116576   0.104527  -0.031736
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.193449   0.004792  -0.046753
+    0SOL     H2    2  -0.130956   0.059152   0.001225
+    0SOL     H3    3  -0.204968  -0.072729   0.008203
+    1SOL     O4    4   0.188985  -0.010271   0.043601
+    1SOL     H5    5   0.196333   0.069237   0.096391
+    1SOL     H6    6   0.209067   0.018179  -0.045560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036389  -0.189782   0.045482
+    0SOL     H2    2  -0.010764  -0.273578   0.006962
+    0SOL     H3    3  -0.004040  -0.193847   0.135479
+    1SOL     O4    4   0.027805   0.198603  -0.048948
+    1SOL     H5    5   0.034316   0.105469  -0.027829
+    1SOL     H6    6   0.118615   0.228326  -0.054644
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.136241   0.129207  -0.092462
+    0SOL     H2    2   0.108134   0.037726  -0.094351
+    0SOL     H3    3   0.058208   0.177740  -0.065671
+    1SOL     O4    4  -0.126300  -0.127603   0.086642
+    1SOL     H5    5  -0.170060  -0.196613   0.136493
+    1SOL     H6    6  -0.161876  -0.046129   0.122119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.081115   0.170582   0.114205
+    0SOL     H2    2  -0.040496   0.253686   0.138824
+    0SOL     H3    3  -0.011039   0.121358   0.071442
+    1SOL     O4    4   0.078608  -0.166835  -0.113481
+    1SOL     H5    5   0.099381  -0.249912  -0.070714
+    1SOL     H6    6  -0.008572  -0.180139  -0.150694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012065  -0.116852   0.185569
+    0SOL     H2    2  -0.038811  -0.036635   0.197367
+    0SOL     H3    3   0.093812  -0.100564   0.232627
+    1SOL     O4    4  -0.013142   0.108442  -0.182370
+    1SOL     H5    5  -0.085747   0.099435  -0.244092
+    1SOL     H6    6   0.052410   0.159647  -0.229735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071748  -0.081047   0.195382
+    0SOL     H2    2  -0.077720  -0.080021   0.290910
+    0SOL     H3    3  -0.046519   0.008266   0.171953
+    1SOL     O4    4   0.070710   0.070564  -0.202639
+    1SOL     H5    5   0.147182   0.120532  -0.174045
+    1SOL     H6    6  -0.003968   0.117875  -0.165934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.151411  -0.066409  -0.150279
+    0SOL     H2    2   0.235446  -0.023680  -0.166852
+    0SOL     H3    3   0.173430  -0.142799  -0.096969
+    1SOL     O4    4  -0.155059   0.063600   0.153932
+    1SOL     H5    5  -0.243699   0.084926   0.124770
+    1SOL     H6    6  -0.097927   0.113387   0.095455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097630   0.111801   0.188347
+    0SOL     H2    2  -0.101218   0.035845   0.130209
+    0SOL     H3    3  -0.045995   0.176448   0.140213
+    1SOL     O4    4   0.092334  -0.114829  -0.186399
+    1SOL     H5    5   0.184539  -0.094517  -0.170650
+    1SOL     H6    6   0.045313  -0.067922  -0.117471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136835  -0.076768  -0.194976
+    0SOL     H2    2  -0.151056  -0.164404  -0.230754
+    0SOL     H3    3  -0.223509  -0.036158  -0.195790
+    1SOL     O4    4   0.147626   0.082716   0.194730
+    1SOL     H5    5   0.142827   0.047659   0.283670
+    1SOL     H6    6   0.064635   0.057268   0.154392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034061   0.247925  -0.002626
+    0SOL     H2    2  -0.040806   0.321323   0.058444
+    0SOL     H3    3  -0.091548   0.271837  -0.075330
+    1SOL     O4    4   0.039047  -0.250057   0.008482
+    1SOL     H5    5   0.095151  -0.313642  -0.035921
+    1SOL     H6    6  -0.040935  -0.247814  -0.044055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.206113  -0.030551  -0.151066
+    0SOL     H2    2  -0.263792   0.045839  -0.150995
+    0SOL     H3    3  -0.243867  -0.089068  -0.216737
+    1SOL     O4    4   0.212731   0.025669   0.149575
+    1SOL     H5    5   0.224830  -0.001633   0.240518
+    1SOL     H6    6   0.184904   0.117066   0.155455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.153254  -0.242396   0.043377
+    0SOL     H2    2  -0.200957  -0.170751   0.001499
+    0SOL     H3    3  -0.123359  -0.297039  -0.029305
+    1SOL     O4    4   0.156098   0.235518  -0.034282
+    1SOL     H5    5   0.127108   0.250524  -0.124264
+    1SOL     H6    6   0.153262   0.322028   0.006588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028082  -0.063382   0.280593
+    0SOL     H2    2  -0.044463  -0.123049   0.262172
+    0SOL     H3    3   0.057688  -0.087939   0.368244
+    1SOL     O4    4  -0.030136   0.072419  -0.283980
+    1SOL     H5    5  -0.007963  -0.001503  -0.227357
+    1SOL     H6    6   0.034181   0.068564  -0.354767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.146124   0.061451  -0.286411
+    0SOL     H2    2   0.237975   0.075176  -0.309590
+    0SOL     H3    3   0.136062  -0.033695  -0.283518
+    1SOL     O4    4  -0.150353  -0.051174   0.291588
+    1SOL     H5    5  -0.220418  -0.073201   0.230204
+    1SOL     H6    6  -0.087666  -0.123028   0.283243
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.214576   0.191044  -0.155855
+    0SOL     H2    2   0.307039   0.197006  -0.179880
+    0SOL     H3    3   0.210204   0.228341  -0.067809
+    1SOL     O4    4  -0.218675  -0.192644   0.159267
+    1SOL     H5    5  -0.182011  -0.260760   0.102890
+    1SOL     H6    6  -0.268946  -0.136855   0.099914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018704   0.338491  -0.036957
+    0SOL     H2    2  -0.019145   0.426410  -0.036685
+    0SOL     H3    3   0.069221   0.333860   0.044215
+    1SOL     O4    4  -0.022344  -0.348332   0.034890
+    1SOL     H5    5   0.029043  -0.278292   0.075092
+    1SOL     H6    6  -0.024931  -0.325847  -0.058116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051666   0.118825  -0.371544
+    0SOL     H2    2  -0.060529   0.101090  -0.277900
+    0SOL     H3    3   0.017336   0.184940  -0.377022
+    1SOL     O4    4   0.045875  -0.125943   0.368985
+    1SOL     H5    5   0.016740  -0.034765   0.368573
+    1SOL     H6    6   0.130001  -0.124462   0.323347
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.413392   0.034786   0.029624
+    0SOL     H2    2   0.321896   0.049218   0.005489
+    0SOL     H3    3   0.461302   0.104536  -0.015119
+    1SOL     O4    4  -0.408682  -0.044770  -0.026956
+    1SOL     H5    5  -0.371604   0.039084  -0.054454
+    1SOL     H6    6  -0.491267  -0.021697   0.015586
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.160353  -0.367216   0.220387
+    0SOL     H2    2  -0.253121  -0.355079   0.240615
+    0SOL     H3    3  -0.115672  -0.354435   0.304069
+    1SOL     O4    4   0.168132   0.365007  -0.230272
+    1SOL     H5    5   0.078121   0.337055  -0.246975
+    1SOL     H6    6   0.164748   0.406612  -0.144133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.195408  -0.344916  -0.339948
+    0SOL     H2    2   0.288455  -0.331837  -0.358212
+    0SOL     H3    3   0.150338  -0.294132  -0.407416
+    1SOL     O4    4  -0.197498   0.340057   0.350803
+    1SOL     H5    5  -0.134494   0.381721   0.292007
+    1SOL     H6    6  -0.273400   0.321620   0.295473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001892  -0.607950   0.048549
+    0SOL     H2    2   0.032974  -0.629744  -0.037890
+    0SOL     H3    3   0.053367  -0.656638   0.109689
+    1SOL     O4    4   0.002711   0.612475  -0.043504
+    1SOL     H5    5  -0.076180   0.563599  -0.020060
+    1SOL     H6    6  -0.014250   0.644325  -0.132162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.531631  -0.393800   0.037555
+    0SOL     H2    2  -0.614977  -0.351645   0.058498
+    0SOL     H3    3  -0.485758  -0.399245   0.121391
+    1SOL     O4    4   0.533083   0.388728  -0.037538
+    1SOL     H5    5   0.608466   0.403184  -0.094729
+    1SOL     H6    6   0.460998   0.434470  -0.080823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.668772  -0.123225  -0.229824
+    0SOL     H2    2   0.656267  -0.071738  -0.309543
+    0SOL     H3    3   0.611346  -0.198994  -0.240937
+    1SOL     O4    4  -0.663728   0.127076   0.240959
+    1SOL     H5    5  -0.720969   0.054808   0.215206
+    1SOL     H6    6  -0.625843   0.158157   0.158733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113105   0.176460   0.729716
+    0SOL     H2    2  -0.062070   0.109292   0.774952
+    0SOL     H3    3  -0.202568   0.142423   0.729326
+    1SOL     O4    4   0.111542  -0.168941  -0.726193
+    1SOL     H5    5   0.139479  -0.112914  -0.798600
+    1SOL     H6    6   0.140254  -0.256729  -0.751318
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004802   0.021952   0.130087
+    0SOL     H2    2   0.024764  -0.014798   0.043986
+    0SOL     H3    3   0.003281   0.116619   0.116008
+    1SOL     O4    4   0.000561  -0.027642  -0.121848
+    1SOL     H5    5  -0.075996  -0.083053  -0.137049
+    1SOL     H6    6  -0.031406   0.061608  -0.135071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051762   0.121363  -0.017495
+    0SOL     H2    2   0.083492   0.125610  -0.107703
+    0SOL     H3    3   0.029278   0.029265  -0.004275
+    1SOL     O4    4  -0.046487  -0.112832   0.023353
+    1SOL     H5    5  -0.130067  -0.098180   0.067647
+    1SOL     H6    6  -0.064490  -0.182931  -0.039291
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000307  -0.086311   0.091800
+    0SOL     H2    2   0.056066  -0.138309   0.033925
+    0SOL     H3    3  -0.059459  -0.149935   0.131073
+    1SOL     O4    4  -0.006054   0.095737  -0.090814
+    1SOL     H5    5   0.025012   0.022069  -0.038181
+    1SOL     H6    6   0.068998   0.119743  -0.145157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062390   0.121004  -0.003602
+    0SOL     H2    2   0.038089   0.029469  -0.017503
+    0SOL     H3    3  -0.020128   0.164857   0.017133
+    1SOL     O4    4  -0.056246  -0.113600   0.008969
+    1SOL     H5    5  -0.003133  -0.192325  -0.003014
+    1SOL     H6    6  -0.110290  -0.108878  -0.069893
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076759  -0.003585  -0.100387
+    0SOL     H2    2  -0.154139  -0.059880  -0.098029
+    0SOL     H3    3  -0.095608   0.060248  -0.169179
+    1SOL     O4    4   0.079726   0.005867   0.109465
+    1SOL     H5    5   0.167591  -0.029656   0.096042
+    1SOL     H6    6   0.037007  -0.002934   0.024260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099751   0.002050   0.079944
+    0SOL     H2    2   0.136291  -0.041115   0.157171
+    0SOL     H3    3   0.170653   0.000280   0.015662
+    1SOL     O4    4  -0.106950   0.005872  -0.084197
+    1SOL     H5    5  -0.032707  -0.021370  -0.030269
+    1SOL     H6    6  -0.167592  -0.068104  -0.080679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006761  -0.140168   0.011942
+    0SOL     H2    2  -0.014520  -0.055864   0.051968
+    0SOL     H3    3   0.010159  -0.121970  -0.081971
+    1SOL     O4    4  -0.007649   0.131166  -0.003227
+    1SOL     H5    5  -0.057769   0.149002  -0.082801
+    1SOL     H6    6   0.079841   0.165254  -0.021823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065408   0.110547   0.003988
+    0SOL     H2    2  -0.025687   0.197161  -0.005108
+    0SOL     H3    3  -0.155100   0.121855  -0.027473
+    1SOL     O4    4   0.071861  -0.120815   0.000939
+    1SOL     H5    5   0.017825  -0.131084  -0.077400
+    1SOL     H6    6   0.057043  -0.030394   0.028630
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032245   0.072553   0.112750
+    0SOL     H2    2  -0.061377   0.065380   0.131349
+    0SOL     H3    3   0.067892  -0.013301   0.135566
+    1SOL     O4    4  -0.023371  -0.067351  -0.119435
+    1SOL     H5    5  -0.111178  -0.105000  -0.125336
+    1SOL     H6    6  -0.026315  -0.011664  -0.041636
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028312  -0.121498   0.065558
+    0SOL     H2    2  -0.096463  -0.160440   0.010774
+    0SOL     H3    3  -0.022541  -0.030712   0.035778
+    1SOL     O4    4   0.025860   0.114673  -0.058782
+    1SOL     H5    5   0.079929   0.168571  -0.001043
+    1SOL     H6    6   0.070219   0.118333  -0.143524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037343  -0.057655   0.114118
+    0SOL     H2    2  -0.039662  -0.112624   0.128643
+    0SOL     H3    3   0.106025  -0.098069   0.167143
+    1SOL     O4    4  -0.041215   0.067884  -0.119410
+    1SOL     H5    5   0.018223   0.017851  -0.175321
+    1SOL     H6    6  -0.024337   0.035127  -0.031067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033189  -0.129321   0.007484
+    0SOL     H2    2  -0.122123  -0.162911  -0.003690
+    0SOL     H3    3   0.009482  -0.192986   0.064827
+    1SOL     O4    4   0.032886   0.139505  -0.012347
+    1SOL     H5    5   0.115577   0.137355   0.035820
+    1SOL     H6    6   0.003437   0.048436  -0.013546
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.121109   0.047210   0.033793
+    0SOL     H2    2  -0.161669   0.063000   0.119045
+    0SOL     H3    3  -0.189510   0.004513  -0.017787
+    1SOL     O4    4   0.132608  -0.046941  -0.039392
+    1SOL     H5    5   0.105548  -0.088509   0.042475
+    1SOL     H6    6   0.063485   0.016593  -0.058040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040089   0.105024  -0.070831
+    0SOL     H2    2   0.021059   0.125869  -0.141462
+    0SOL     H3    3  -0.101476   0.178460  -0.069780
+    1SOL     O4    4   0.035685  -0.113696   0.078648
+    1SOL     H5    5   0.128461  -0.137206   0.080165
+    1SOL     H6    6   0.029660  -0.043977   0.013340
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038532   0.072711   0.114888
+    0SOL     H2    2  -0.019051   0.058508   0.207522
+    0SOL     H3    3   0.021387   0.014214   0.068519
+    1SOL     O4    4   0.028168  -0.067540  -0.113758
+    1SOL     H5    5   0.071253  -0.014084  -0.180455
+    1SOL     H6    6   0.085032  -0.143888  -0.103774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009477   0.113288  -0.090589
+    0SOL     H2    2   0.025535   0.184045  -0.028157
+    0SOL     H3    3   0.042022   0.034701  -0.046688
+    1SOL     O4    4  -0.009852  -0.115514   0.089668
+    1SOL     H5    5  -0.083171  -0.054516   0.081552
+    1SOL     H6    6   0.019034  -0.130431  -0.000362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111634   0.047046   0.076950
+    0SOL     H2    2   0.200423   0.011531   0.072763
+    0SOL     H3    3   0.064052   0.000915   0.007884
+    1SOL     O4    4  -0.111150  -0.038071  -0.077416
+    1SOL     H5    5  -0.163425  -0.012815  -0.001312
+    1SOL     H6    6  -0.109389  -0.133734  -0.074645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083696   0.092326   0.071391
+    0SOL     H2    2   0.061003   0.125179   0.158385
+    0SOL     H3    3   0.007157   0.041721   0.044129
+    1SOL     O4    4  -0.078010  -0.094687  -0.068504
+    1SOL     H5    5  -0.005515  -0.080422  -0.129358
+    1SOL     H6    6  -0.154203  -0.057290  -0.112758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121023  -0.062428  -0.019244
+    0SOL     H2    2   0.179097  -0.039141  -0.091683
+    0SOL     H3    3   0.098280  -0.154026  -0.035213
+    1SOL     O4    4  -0.127207   0.072551   0.026597
+    1SOL     H5    5  -0.032220   0.061099   0.023658
+    1SOL     H6    6  -0.162444  -0.012009  -0.001160
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028143   0.046242   0.138709
+    0SOL     H2    2  -0.106004   0.055226   0.083761
+    0SOL     H3    3   0.045197   0.051145   0.077395
+    1SOL     O4    4   0.028607  -0.048972  -0.124507
+    1SOL     H5    5   0.044479   0.037782  -0.161710
+    1SOL     H6    6   0.015155  -0.105583  -0.200511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.049485   0.073848  -0.116698
+    0SOL     H2    2  -0.000372   0.013023  -0.062137
+    0SOL     H3    3   0.110274   0.018158  -0.165335
+    1SOL     O4    4  -0.048081  -0.062362   0.113449
+    1SOL     H5    5  -0.005503  -0.142796   0.143109
+    1SOL     H6    6  -0.136939  -0.067874   0.148609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128588   0.053950   0.018670
+    0SOL     H2    2  -0.128902   0.149175   0.008946
+    0SOL     H3    3  -0.187595   0.022631  -0.049884
+    1SOL     O4    4   0.136906  -0.054820  -0.017774
+    1SOL     H5    5   0.118085  -0.138522   0.024677
+    1SOL     H6    6   0.057266  -0.003184  -0.005383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093070   0.064604   0.078902
+    0SOL     H2    2  -0.065672   0.155119   0.093689
+    0SOL     H3    3  -0.177372   0.057429   0.123667
+    1SOL     O4    4   0.095110  -0.067872  -0.088990
+    1SOL     H5    5   0.068185  -0.019106  -0.011148
+    1SOL     H6    6   0.145949  -0.141431  -0.054833
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.134162   0.007506   0.051516
+    0SOL     H2    2   0.104565   0.047295   0.133389
+    0SOL     H3    3   0.146497  -0.084984   0.072867
+    1SOL     O4    4  -0.139115  -0.002484  -0.055360
+    1SOL     H5    5  -0.054277  -0.005903  -0.011165
+    1SOL     H6    6  -0.121896  -0.036792  -0.143046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090617  -0.103546  -0.022921
+    0SOL     H2    2   0.126549  -0.119964  -0.110109
+    0SOL     H3    3   0.160061  -0.130605   0.037141
+    1SOL     O4    4  -0.099165   0.111125   0.020352
+    1SOL     H5    5  -0.145011   0.032914   0.051067
+    1SOL     H6    6  -0.011292   0.103597   0.057554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012967   0.123873  -0.069336
+    0SOL     H2    2   0.038957   0.107856  -0.148137
+    0SOL     H3    3  -0.102101   0.137126  -0.101612
+    1SOL     O4    4   0.011094  -0.124608   0.080324
+    1SOL     H5    5  -0.003208  -0.067905   0.004544
+    1SOL     H6    6   0.095783  -0.165998   0.063683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027129   0.130533   0.051501
+    0SOL     H2    2  -0.014164   0.148629   0.144597
+    0SOL     H3    3   0.053144   0.161580   0.009612
+    1SOL     O4    4   0.019382  -0.134492  -0.061139
+    1SOL     H5    5   0.105288  -0.155782  -0.024681
+    1SOL     H6    6  -0.028329  -0.094548   0.011596
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.105773   0.086579   0.047255
+    0SOL     H2    2  -0.113410   0.101186   0.141545
+    0SOL     H3    3  -0.157758   0.007894   0.030872
+    1SOL     O4    4   0.107889  -0.086877  -0.045084
+    1SOL     H5    5   0.178132  -0.095461  -0.109540
+    1SOL     H6    6   0.051999  -0.017266  -0.079623
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043037   0.123010   0.065695
+    0SOL     H2    2  -0.030550   0.096096   0.120675
+    0SOL     H3    3   0.112848   0.144126   0.127686
+    1SOL     O4    4  -0.037238  -0.126560  -0.070481
+    1SOL     H5    5  -0.125674  -0.154791  -0.093814
+    1SOL     H6    6  -0.039952  -0.031116  -0.077225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017814   0.149261   0.035920
+    0SOL     H2    2   0.000593   0.055897   0.048121
+    0SOL     H3    3   0.028796   0.159486  -0.058617
+    1SOL     O4    4  -0.018233  -0.140708  -0.025938
+    1SOL     H5    5   0.054250  -0.199455  -0.047322
+    1SOL     H6    6  -0.076788  -0.146366  -0.101447
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108840   0.111046  -0.020381
+    0SOL     H2    2   0.072940   0.024529  -0.040087
+    0SOL     H3    3   0.044136   0.151245   0.037582
+    1SOL     O4    4  -0.096543  -0.107769   0.016279
+    1SOL     H5    5  -0.127247  -0.138200   0.101682
+    1SOL     H6    6  -0.176391  -0.083994  -0.030853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007371   0.001346  -0.143378
+    0SOL     H2    2  -0.084053  -0.023786  -0.194861
+    0SOL     H3    3   0.065995  -0.006085  -0.204407
+    1SOL     O4    4   0.013591   0.001979   0.152090
+    1SOL     H5    5  -0.073178   0.006319   0.192271
+    1SOL     H6    6  -0.002595  -0.030345   0.063459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014611  -0.146258  -0.025872
+    0SOL     H2    2   0.052839  -0.204274   0.009440
+    0SOL     H3    3   0.017735  -0.121836  -0.112587
+    1SOL     O4    4   0.005867   0.152981   0.029589
+    1SOL     H5    5   0.099758   0.151668   0.011013
+    1SOL     H6    6  -0.019246   0.060672   0.032847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060883   0.013818   0.132506
+    0SOL     H2    2  -0.091186   0.024978   0.222615
+    0SOL     H3    3  -0.133786   0.044644   0.078679
+    1SOL     O4    4   0.062978  -0.012696  -0.139702
+    1SOL     H5    5   0.062348   0.005246  -0.045681
+    1SOL     H6    6   0.122845  -0.086725  -0.149607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024602   0.039444   0.152049
+    0SOL     H2    2   0.101718   0.036888   0.095401
+    0SOL     H3    3  -0.011729  -0.048976   0.147132
+    1SOL     O4    4  -0.030768  -0.033493  -0.142900
+    1SOL     H5    5   0.042376  -0.094625  -0.151568
+    1SOL     H6    6  -0.035178   0.010821  -0.227630
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.086827   0.132120   0.002201
+    0SOL     H2    2   0.029058   0.061773   0.031803
+    0SOL     H3    3   0.141099   0.152282   0.078426
+    1SOL     O4    4  -0.085576  -0.127464  -0.013731
+    1SOL     H5    5  -0.040187  -0.195704   0.035721
+    1SOL     H6    6  -0.152943  -0.095223   0.046140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016995   0.152000   0.013287
+    0SOL     H2    2  -0.041659   0.237746   0.047951
+    0SOL     H3    3   0.059550   0.169373  -0.041496
+    1SOL     O4    4   0.018048  -0.160570  -0.016427
+    1SOL     H5    5   0.002002  -0.189033   0.073543
+    1SOL     H6    6  -0.040254  -0.085645  -0.028654
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127721  -0.033088  -0.088566
+    0SOL     H2    2  -0.177065  -0.095115  -0.142233
+    0SOL     H3    3  -0.037392  -0.064516  -0.092493
+    1SOL     O4    4   0.129940   0.037491   0.088161
+    1SOL     H5    5   0.080569   0.118230   0.102513
+    1SOL     H6    6   0.089548  -0.026148   0.147160
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054034  -0.042958   0.143109
+    0SOL     H2    2  -0.135250   0.005603   0.157533
+    0SOL     H3    3   0.012147   0.005879   0.192071
+    1SOL     O4    4   0.060151   0.039108  -0.142503
+    1SOL     H5    5  -0.028288   0.007569  -0.123901
+    1SOL     H6    6   0.066547   0.037684  -0.237998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098860  -0.140792   0.022916
+    0SOL     H2    2  -0.050647  -0.139353   0.105595
+    0SOL     H3    3  -0.051195  -0.080106  -0.033720
+    1SOL     O4    4   0.087151   0.133196  -0.024963
+    1SOL     H5    5   0.151473   0.145256  -0.094817
+    1SOL     H6    6   0.121927   0.183552   0.048638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105316  -0.119070   0.038321
+    0SOL     H2    2   0.195904  -0.124547   0.068752
+    0SOL     H3    3   0.058555  -0.184478   0.090259
+    1SOL     O4    4  -0.111239   0.124244  -0.049028
+    1SOL     H5    5  -0.018051   0.107204  -0.035324
+    1SOL     H6    6  -0.148337   0.127096   0.039165
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.147087   0.082727  -0.037205
+    0SOL     H2    2   0.096255   0.076984  -0.118108
+    0SOL     H3    3   0.192460  -0.001353  -0.031351
+    1SOL     O4    4  -0.147042  -0.074419   0.046697
+    1SOL     H5    5  -0.214769  -0.131089   0.009767
+    1SOL     H6    6  -0.072624  -0.084100  -0.012721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029393   0.157908  -0.047247
+    0SOL     H2    2   0.027852   0.198948  -0.133709
+    0SOL     H3    3   0.120974   0.163035  -0.019878
+    1SOL     O4    4  -0.035704  -0.166175   0.055053
+    1SOL     H5    5  -0.098504  -0.099604   0.027003
+    1SOL     H6    6   0.046163  -0.141608   0.011966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.151266   0.021278  -0.078421
+    0SOL     H2    2   0.083866   0.086916  -0.096065
+    0SOL     H3    3   0.170054  -0.017414  -0.163932
+    1SOL     O4    4  -0.149639  -0.027929   0.089630
+    1SOL     H5    5  -0.214268   0.017435   0.035523
+    1SOL     H6    6  -0.065600   0.009306   0.062923
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033768  -0.164742   0.031049
+    0SOL     H2    2  -0.098895  -0.234223   0.021395
+    0SOL     H3    3  -0.067600  -0.109791   0.101746
+    1SOL     O4    4   0.043432   0.169838  -0.036635
+    1SOL     H5    5  -0.046484   0.152974  -0.064793
+    1SOL     H6    6   0.057805   0.108744   0.035638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137266  -0.036052  -0.106980
+    0SOL     H2    2   0.072800  -0.105379  -0.092831
+    0SOL     H3    3   0.114088   0.001281  -0.192017
+    1SOL     O4    4  -0.132789   0.036442   0.104154
+    1SOL     H5    5  -0.200207   0.009098   0.166360
+    1SOL     H6    6  -0.067224   0.080945   0.157848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083482  -0.111996  -0.110489
+    0SOL     H2    2  -0.019220  -0.151806  -0.051771
+    0SOL     H3    3  -0.136875  -0.185378  -0.140928
+    1SOL     O4    4   0.078768   0.115086   0.113261
+    1SOL     H5    5   0.153808   0.075585   0.068864
+    1SOL     H6    6   0.079876   0.206656   0.085404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080351  -0.124976  -0.110641
+    0SOL     H2    2  -0.151587  -0.154965  -0.054175
+    0SOL     H3    3  -0.056618  -0.039059  -0.075752
+    1SOL     O4    4   0.080755   0.116854   0.103818
+    1SOL     H5    5   0.096037   0.147356   0.193252
+    1SOL     H6    6   0.109127   0.189613   0.048469
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017660   0.183739  -0.019193
+    0SOL     H2    2   0.036652   0.262515  -0.070143
+    0SOL     H3    3   0.065595   0.114045  -0.063995
+    1SOL     O4    4  -0.022129  -0.182952   0.017626
+    1SOL     H5    5  -0.033166  -0.266767   0.062521
+    1SOL     H6    6   0.001188  -0.121393   0.087118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095087  -0.030496  -0.152988
+    0SOL     H2    2   0.122320   0.025798  -0.225456
+    0SOL     H3    3   0.084269  -0.116988  -0.192541
+    1SOL     O4    4  -0.090537   0.032801   0.156481
+    1SOL     H5    5  -0.117709  -0.027347   0.225809
+    1SOL     H6    6  -0.169617   0.082454   0.135430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161583   0.009272   0.103333
+    0SOL     H2    2  -0.171084  -0.027116   0.015311
+    0SOL     H3    3  -0.195083   0.098646   0.096100
+    1SOL     O4    4   0.167093  -0.017041  -0.097675
+    1SOL     H5    5   0.195863   0.066680  -0.134080
+    1SOL     H6    6   0.075882  -0.002269  -0.072683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128128  -0.076836  -0.126704
+    0SOL     H2    2  -0.052887  -0.033821  -0.086075
+    0SOL     H3    3  -0.202077  -0.019251  -0.107265
+    1SOL     O4    4   0.133976   0.066590   0.120975
+    1SOL     H5    5   0.045315   0.040453   0.145842
+    1SOL     H6    6   0.134727   0.161749   0.131295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057354  -0.163957  -0.074192
+    0SOL     H2    2   0.118353  -0.165306  -0.147947
+    0SOL     H3    3   0.033496  -0.255727  -0.061100
+    1SOL     O4    4  -0.054257   0.173540   0.080712
+    1SOL     H5    5  -0.139885   0.200312   0.047342
+    1SOL     H6    6  -0.052046   0.078720   0.067804
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084274   0.165234  -0.068115
+    0SOL     H2    2  -0.009378   0.184441  -0.063357
+    0SOL     H3    3   0.098791   0.138938  -0.159001
+    1SOL     O4    4  -0.078523  -0.159276   0.069301
+    1SOL     H5    5  -0.160609  -0.196313   0.101742
+    1SOL     H6    6  -0.010798  -0.218099   0.102701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096505  -0.151670  -0.096008
+    0SOL     H2    2  -0.053413  -0.126262  -0.014400
+    0SOL     H3    3  -0.087720  -0.075017  -0.152661
+    1SOL     O4    4   0.094551   0.149419   0.088607
+    1SOL     H5    5   0.033034   0.168298   0.159470
+    1SOL     H6    6   0.143159   0.072697   0.118826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.178240  -0.034546  -0.067379
+    0SOL     H2    2  -0.188874  -0.084642  -0.148247
+    0SOL     H3    3  -0.216843  -0.089977   0.000441
+    1SOL     O4    4   0.185620   0.044454   0.070714
+    1SOL     H5    5   0.090962   0.044887   0.084926
+    1SOL     H6    6   0.199297  -0.020944   0.002170
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012118   0.124912   0.159333
+    0SOL     H2    2   0.028546   0.066084   0.085633
+    0SOL     H3    3   0.066812   0.201441   0.141608
+    1SOL     O4    4  -0.019464  -0.122968  -0.149667
+    1SOL     H5    5   0.020816  -0.209792  -0.148410
+    1SOL     H6    6   0.002207  -0.087706  -0.235976
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003361   0.122810   0.167599
+    0SOL     H2    2  -0.066327   0.082146   0.219100
+    0SOL     H3    3  -0.042573   0.179148   0.105322
+    1SOL     O4    4   0.007541  -0.123139  -0.170943
+    1SOL     H5    5  -0.033413  -0.204941  -0.142774
+    1SOL     H6    6  -0.031571  -0.056160  -0.114851
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063118  -0.016908   0.199145
+    0SOL     H2    2  -0.079638  -0.020005   0.104912
+    0SOL     H3    3  -0.149489  -0.027531   0.239014
+    1SOL     O4    4   0.061717   0.018806  -0.197401
+    1SOL     H5    5   0.102954  -0.028700  -0.125255
+    1SOL     H6    6   0.134813   0.047442  -0.252166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006441   0.157937   0.135134
+    0SOL     H2    2  -0.037712   0.181737   0.047853
+    0SOL     H3    3  -0.052113   0.217873   0.194160
+    1SOL     O4    4   0.012553  -0.156587  -0.131367
+    1SOL     H5    5  -0.069029  -0.182603  -0.174144
+    1SOL     H6    6   0.063351  -0.237492  -0.125341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.172188  -0.050176   0.107266
+    0SOL     H2    2   0.153310  -0.141917   0.087528
+    0SOL     H3    3   0.263681  -0.050015   0.135396
+    1SOL     O4    4  -0.178115   0.057985  -0.112031
+    1SOL     H5    5  -0.132933   0.090641  -0.034221
+    1SOL     H6    6  -0.178617  -0.037135  -0.101341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.170545   0.083749   0.115929
+    0SOL     H2    2   0.259334   0.049101   0.124778
+    0SOL     H3    3   0.132671   0.034410   0.043173
+    1SOL     O4    4  -0.170909  -0.084724  -0.110211
+    1SOL     H5    5  -0.251915  -0.041075  -0.083847
+    1SOL     H6    6  -0.136344  -0.030418  -0.181052
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031908   0.072813  -0.217639
+    0SOL     H2    2   0.075500  -0.001189  -0.175382
+    0SOL     H3    3   0.008300   0.131138  -0.145506
+    1SOL     O4    4  -0.037493  -0.075840   0.211637
+    1SOL     H5    5   0.048893  -0.096520   0.175970
+    1SOL     H6    6  -0.035782   0.018890   0.225262
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.223343   0.023191   0.018946
+    0SOL     H2    2  -0.239851   0.103502   0.068341
+    0SOL     H3    3  -0.261677  -0.046248   0.072529
+    1SOL     O4    4   0.225036  -0.017678  -0.026774
+    1SOL     H5    5   0.304373  -0.060546   0.005324
+    1SOL     H6    6   0.153728  -0.075011   0.001341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.086443  -0.049348   0.208001
+    0SOL     H2    2   0.099013  -0.052608   0.302837
+    0SOL     H3    3  -0.007321  -0.064152   0.195698
+    1SOL     O4    4  -0.081457   0.055873  -0.217543
+    1SOL     H5    5  -0.016737  -0.010644  -0.194110
+    1SOL     H6    6  -0.155877   0.038281  -0.159972
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080071   0.013665  -0.215249
+    0SOL     H2    2  -0.087285   0.059023  -0.299230
+    0SOL     H3    3  -0.117813  -0.072812  -0.231360
+    1SOL     O4    4   0.076031  -0.009453   0.219150
+    1SOL     H5    5   0.155876   0.021884   0.176663
+    1SOL     H6    6   0.105875  -0.078425   0.278433
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.181166  -0.084355  -0.112669
+    0SOL     H2    2   0.216132  -0.173417  -0.109904
+    0SOL     H3    3   0.241088  -0.036824  -0.170222
+    1SOL     O4    4  -0.183327   0.087037   0.121228
+    1SOL     H5    5  -0.241452   0.149850   0.078352
+    1SOL     H6    6  -0.173704   0.016041   0.057752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.138833   0.026314  -0.196854
+    0SOL     H2    2   0.141308  -0.044830  -0.132864
+    0SOL     H3    3   0.230443   0.051687  -0.208086
+    1SOL     O4    4  -0.147774  -0.028316   0.197570
+    1SOL     H5    5  -0.173588   0.016989   0.117298
+    1SOL     H6    6  -0.058879   0.002584   0.215039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161665   0.125352   0.149118
+    0SOL     H2    2  -0.114307   0.117091   0.066346
+    0SOL     H3    3  -0.238480   0.069233   0.138523
+    1SOL     O4    4   0.160935  -0.115040  -0.145166
+    1SOL     H5    5   0.119254  -0.176665  -0.084937
+    1SOL     H6    6   0.237693  -0.161825  -0.178054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080688   0.227310  -0.085445
+    0SOL     H2    2   0.018253   0.275085  -0.140050
+    0SOL     H3    3   0.077275   0.271648  -0.000682
+    1SOL     O4    4  -0.078410  -0.236431   0.088764
+    1SOL     H5    5   0.008409  -0.215521   0.054302
+    1SOL     H6    6  -0.138994  -0.190197   0.030848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093182   0.056443   0.231316
+    0SOL     H2    2   0.028307   0.074942   0.299222
+    0SOL     H3    3   0.166337   0.114787   0.251483
+    1SOL     O4    4  -0.095553  -0.061748  -0.230719
+    1SOL     H5    5  -0.141396  -0.041796  -0.312344
+    1SOL     H6    6  -0.003184  -0.065926  -0.255474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.185643   0.120948  -0.171866
+    0SOL     H2    2  -0.092643   0.101035  -0.182670
+    0SOL     H3    3  -0.209276   0.168986  -0.251214
+    1SOL     O4    4   0.180588  -0.117416   0.174028
+    1SOL     H5    5   0.260571  -0.136273   0.223114
+    1SOL     H6    6   0.130202  -0.198699   0.178105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.152399  -0.159452   0.190305
+    0SOL     H2    2  -0.159226  -0.210344   0.109523
+    0SOL     H3    3  -0.094774  -0.086396   0.167846
+    1SOL     O4    4   0.146070   0.152720  -0.182209
+    1SOL     H5    5   0.235975   0.178909  -0.162372
+    1SOL     H6    6   0.109220   0.227336  -0.229505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002873  -0.291049   0.041406
+    0SOL     H2    2  -0.020043  -0.259361  -0.045961
+    0SOL     H3    3   0.080062  -0.240044   0.065954
+    1SOL     O4    4  -0.007873   0.289628  -0.033224
+    1SOL     H5    5   0.024699   0.200848  -0.048040
+    1SOL     H6    6  -0.007646   0.330066  -0.119982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.191030   0.028905   0.265141
+    0SOL     H2    2   0.113703   0.084736   0.273254
+    0SOL     H3    3   0.257769   0.085774   0.226747
+    1SOL     O4    4  -0.192412  -0.032372  -0.269318
+    1SOL     H5    5  -0.107135  -0.059636  -0.235453
+    1SOL     H6    6  -0.254149  -0.054687  -0.199655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153093   0.182578  -0.240132
+    0SOL     H2    2   0.185854   0.114652  -0.181182
+    0SOL     H3    3   0.077762   0.219832  -0.194309
+    1SOL     O4    4  -0.149421  -0.173982   0.236422
+    1SOL     H5    5  -0.235604  -0.215601   0.238061
+    1SOL     H6    6  -0.089569  -0.243775   0.209796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.348063   0.112915  -0.190591
+    0SOL     H2    2  -0.383395   0.047139  -0.250487
+    0SOL     H3    3  -0.340875   0.192274  -0.243628
+    1SOL     O4    4   0.355869  -0.112623   0.196789
+    1SOL     H5    5   0.290598  -0.050821   0.163887
+    1SOL     H6    6   0.304751  -0.187715   0.226964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.180549   0.146671   0.353191
+    0SOL     H2    2  -0.207115   0.227633   0.396800
+    0SOL     H3    3  -0.178393   0.169112   0.260164
+    1SOL     O4    4   0.179033  -0.152652  -0.344746
+    1SOL     H5    5   0.214531  -0.069117  -0.375146
+    1SOL     H6    6   0.190921  -0.212146  -0.418783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.155818   0.095470  -0.393853
+    0SOL     H2    2  -0.131152   0.059547  -0.479079
+    0SOL     H3    3  -0.237477   0.142592  -0.410396
+    1SOL     O4    4   0.156006  -0.090412   0.398600
+    1SOL     H5    5   0.250383  -0.105369   0.392962
+    1SOL     H6    6   0.119209  -0.176512   0.418478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.378803   0.151623   0.165158
+    0SOL     H2    2   0.469804   0.126825   0.181472
+    0SOL     H3    3   0.328173   0.099398   0.227379
+    1SOL     O4    4  -0.384086  -0.151675  -0.167336
+    1SOL     H5    5  -0.302289  -0.157551  -0.216703
+    1SOL     H6    6  -0.404350  -0.058143  -0.165512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.210870   0.301609  -0.291356
+    0SOL     H2    2  -0.150724   0.282316  -0.219436
+    0SOL     H3    3  -0.281803   0.238178  -0.280991
+    1SOL     O4    4   0.216873  -0.299009   0.291142
+    1SOL     H5    5   0.205811  -0.232911   0.222797
+    1SOL     H6    6   0.132036  -0.343086   0.295856
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135160  -0.308350  -0.384014
+    0SOL     H2    2  -0.076519  -0.245133  -0.425573
+    0SOL     H3    3  -0.082878  -0.347002  -0.313765
+    1SOL     O4    4   0.128770   0.309552   0.375722
+    1SOL     H5    5   0.053621   0.297348   0.433739
+    1SOL     H6    6   0.203567   0.277850   0.426345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.378195  -0.194272   0.283278
+    0SOL     H2    2   0.338424  -0.109732   0.304100
+    0SOL     H3    3   0.472334  -0.179309   0.292007
+    1SOL     O4    4  -0.375376   0.187972  -0.287137
+    1SOL     H5    5  -0.424285   0.140157  -0.220174
+    1SOL     H6    6  -0.428644   0.265464  -0.305016
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.354155   0.368960   0.005282
+    0SOL     H2    2  -0.317360   0.456507   0.017282
+    0SOL     H3    3  -0.410644   0.356020   0.081465
+    1SOL     O4    4   0.349242  -0.371008  -0.008105
+    1SOL     H5    5   0.423538  -0.315339  -0.031416
+    1SOL     H6    6   0.380542  -0.460246  -0.022913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.511802  -0.186939  -0.128127
+    0SOL     H2    2   0.516592  -0.241953  -0.049942
+    0SOL     H3    3   0.459772  -0.111282  -0.101085
+    1SOL     O4    4  -0.513514   0.190963   0.120339
+    1SOL     H5    5  -0.500020   0.107324   0.075789
+    1SOL     H6    6  -0.453590   0.188363   0.194935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.408900  -0.174781   0.437517
+    0SOL     H2    2   0.429921  -0.161857   0.530001
+    0SOL     H3    3   0.450502  -0.101011   0.392913
+    1SOL     O4    4  -0.415715   0.168439  -0.434982
+    1SOL     H5    5  -0.327499   0.205591  -0.434873
+    1SOL     H6    6  -0.439876   0.164247  -0.527508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.418509  -0.466732  -0.221657
+    0SOL     H2    2   0.419480  -0.505635  -0.309110
+    0SOL     H3    3   0.337436  -0.498703  -0.182067
+    1SOL     O4    4  -0.414085   0.475196   0.220874
+    1SOL     H5    5  -0.433557   0.474345   0.314589
+    1SOL     H6    6  -0.392701   0.384264   0.199980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.297172  -0.416689  -0.543035
+    0SOL     H2    2   0.319375  -0.496477  -0.591027
+    0SOL     H3    3   0.363641  -0.410671  -0.474421
+    1SOL     O4    4  -0.303379   0.417488   0.546513
+    1SOL     H5    5  -0.335825   0.406607   0.457120
+    1SOL     H6    6  -0.261140   0.503384   0.546425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.655570   0.277173  -0.335240
+    0SOL     H2    2  -0.586485   0.231981  -0.286791
+    0SOL     H3    3  -0.616826   0.361291  -0.359435
+    1SOL     O4    4   0.644710  -0.282165   0.334358
+    1SOL     H5    5   0.656463  -0.192190   0.303882
+    1SOL     H6    6   0.732839  -0.311278   0.357768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.796455   0.318578   0.526544
+    0SOL     H2    2   0.777618   0.241672   0.472758
+    0SOL     H3    3   0.891885   0.325918   0.525336
+    1SOL     O4    4  -0.802070  -0.314657  -0.517194
+    1SOL     H5    5  -0.851119  -0.368036  -0.579702
+    1SOL     H6    6  -0.738530  -0.267221  -0.570812
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085158   0.013912   0.085985
+    0SOL     H2    2  -0.135787   0.074687   0.139887
+    0SOL     H3    3  -0.137395  -0.066287   0.084727
+    1SOL     O4    4   0.097035  -0.015755  -0.086166
+    1SOL     H5    5   0.070466  -0.009242  -0.177893
+    1SOL     H6    6   0.023966   0.022094  -0.037271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113202   0.001862   0.066633
+    0SOL     H2    2   0.022211  -0.027428   0.061614
+    0SOL     H3    3   0.118126   0.050935   0.148670
+    1SOL     O4    4  -0.110605  -0.007522  -0.066418
+    1SOL     H5    5  -0.050610  -0.003009  -0.140867
+    1SOL     H6    6  -0.144964   0.081408  -0.057860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097600   0.079811   0.014400
+    0SOL     H2    2   0.173802   0.084998  -0.043294
+    0SOL     H3    3   0.045999   0.157553  -0.006949
+    1SOL     O4    4  -0.105516  -0.084540  -0.008913
+    1SOL     H5    5  -0.050899  -0.006054  -0.004531
+    1SOL     H6    6  -0.047638  -0.152114  -0.044214
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016329   0.077490   0.100108
+    0SOL     H2    2  -0.083359   0.028885   0.148138
+    0SOL     H3    3   0.053081   0.092461   0.164299
+    1SOL     O4    4   0.018618  -0.072532  -0.112319
+    1SOL     H5    5   0.017676  -0.033749  -0.024813
+    1SOL     H6    6  -0.019088  -0.159694  -0.100346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101075   0.017185   0.082703
+    0SOL     H2    2   0.183902  -0.024699   0.059301
+    0SOL     H3    3   0.096613   0.094580   0.026555
+    1SOL     O4    4  -0.110115  -0.014740  -0.076593
+    1SOL     H5    5  -0.038697  -0.043041  -0.019488
+    1SOL     H6    6  -0.098518  -0.065883  -0.156670
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102229  -0.056844   0.057084
+    0SOL     H2    2  -0.125433  -0.143351   0.023315
+    0SOL     H3    3  -0.053734  -0.074745   0.137645
+    1SOL     O4    4   0.101883   0.065951  -0.066078
+    1SOL     H5    5   0.024369   0.015323  -0.041773
+    1SOL     H6    6   0.159643   0.059399   0.009970
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050472  -0.106388  -0.067888
+    0SOL     H2    2  -0.145604  -0.116909  -0.069145
+    0SOL     H3    3  -0.036860  -0.011819  -0.062083
+    1SOL     O4    4   0.054367   0.098814   0.073626
+    1SOL     H5    5   0.117684   0.074290   0.006157
+    1SOL     H6    6   0.007916   0.173954   0.036768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060761   0.001733  -0.127947
+    0SOL     H2    2  -0.142672  -0.043917  -0.108734
+    0SOL     H3    3  -0.010500  -0.003928  -0.046682
+    1SOL     O4    4   0.063006  -0.001579   0.116541
+    1SOL     H5    5   0.039900  -0.046458   0.197870
+    1SOL     H6    6   0.075571   0.089759   0.142268
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014680  -0.142967   0.004185
+    0SOL     H2    2   0.006219  -0.047711   0.000073
+    0SOL     H3    3   0.103506  -0.157793   0.036626
+    1SOL     O4    4  -0.014724   0.133272  -0.004857
+    1SOL     H5    5  -0.029588   0.179955  -0.087089
+    1SOL     H6    6  -0.078607   0.170645   0.055842
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063606   0.025098  -0.126877
+    0SOL     H2    2   0.026116   0.010550  -0.040014
+    0SOL     H3    3  -0.007479   0.064565  -0.177392
+    1SOL     O4    4  -0.051319  -0.031698   0.123820
+    1SOL     H5    5  -0.145096  -0.047980   0.113661
+    1SOL     H6    6  -0.045548   0.060493   0.148918
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103712  -0.045137   0.094460
+    0SOL     H2    2  -0.043575  -0.022309   0.165345
+    0SOL     H3    3  -0.067174  -0.002061   0.017183
+    1SOL     O4    4   0.091345   0.043915  -0.093007
+    1SOL     H5    5   0.142187  -0.019613  -0.042592
+    1SOL     H6    6   0.149471   0.069860  -0.164495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039228   0.026579  -0.136413
+    0SOL     H2    2   0.005500  -0.000975  -0.056397
+    0SOL     H3    3   0.030778   0.058925  -0.193116
+    1SOL     O4    4   0.031668  -0.032900   0.132297
+    1SOL     H5    5  -0.027782   0.040467   0.147958
+    1SOL     H6    6   0.115657  -0.003722   0.167748
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112849   0.089215   0.013866
+    0SOL     H2    2   0.059910   0.013115   0.037713
+    0SOL     H3    3   0.152294   0.117783   0.096270
+    1SOL     O4    4  -0.113230  -0.084031  -0.014680
+    1SOL     H5    5  -0.078214  -0.171170  -0.033205
+    1SOL     H6    6  -0.125113  -0.044122  -0.100868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.081463   0.115072  -0.045482
+    0SOL     H2    2  -0.009495   0.059188  -0.016157
+    0SOL     H3    3  -0.160123   0.073252  -0.010469
+    1SOL     O4    4   0.082422  -0.102520   0.039948
+    1SOL     H5    5   0.057298  -0.142010   0.123445
+    1SOL     H6    6   0.101563  -0.177010  -0.017035
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117076  -0.044917   0.064865
+    0SOL     H2    2   0.098161   0.017612   0.134827
+    0SOL     H3    3   0.196381  -0.011117   0.023262
+    1SOL     O4    4  -0.119645   0.044598  -0.069147
+    1SOL     H5    5  -0.204832   0.006443  -0.047941
+    1SOL     H6    6  -0.056518  -0.023911  -0.047152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123833  -0.061105  -0.007356
+    0SOL     H2    2   0.155616  -0.021858  -0.088669
+    0SOL     H3    3   0.199930  -0.060962   0.050708
+    1SOL     O4    4  -0.135427   0.060111   0.012051
+    1SOL     H5    5  -0.074134  -0.010159   0.033677
+    1SOL     H6    6  -0.100557   0.098450  -0.068426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.048133   0.118087  -0.066889
+    0SOL     H2    2   0.111515   0.068407  -0.118629
+    0SOL     H3    3  -0.030158   0.121674  -0.121842
+    1SOL     O4    4  -0.047767  -0.115693   0.079140
+    1SOL     H5    5  -0.031582  -0.042746   0.019315
+    1SOL     H6    6  -0.054510  -0.192361   0.022228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.069449  -0.104382  -0.057636
+    0SOL     H2    2  -0.034510  -0.191342  -0.038155
+    0SOL     H3    3  -0.135351  -0.119617  -0.125364
+    1SOL     O4    4   0.072694   0.113322   0.055060
+    1SOL     H5    5   0.100725   0.129497   0.145144
+    1SOL     H6    6   0.013898   0.038053   0.061370
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098299   0.101795   0.040436
+    0SOL     H2    2  -0.190843   0.081656   0.026569
+    0SOL     H3    3  -0.051555   0.027968   0.001359
+    1SOL     O4    4   0.103332  -0.090439  -0.041004
+    1SOL     H5    5   0.125081  -0.114178   0.049139
+    1SOL     H6    6   0.047083  -0.161567  -0.071648
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063500  -0.126650  -0.030584
+    0SOL     H2    2  -0.152794  -0.145802  -0.001912
+    0SOL     H3    3  -0.072501  -0.050488  -0.087861
+    1SOL     O4    4   0.067461   0.129033   0.028816
+    1SOL     H5    5   0.143810   0.102761   0.080225
+    1SOL     H6    6   0.006732   0.055470   0.036729
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133549  -0.045749   0.053037
+    0SOL     H2    2  -0.158189  -0.107679  -0.015664
+    0SOL     H3    3  -0.045714  -0.016550   0.028650
+    1SOL     O4    4   0.122568   0.044550  -0.049039
+    1SOL     H5    5   0.149236   0.136469  -0.047557
+    1SOL     H6    6   0.201484  -0.003732  -0.024474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.138963   0.014093  -0.050358
+    0SOL     H2    2   0.132500  -0.080296  -0.035821
+    0SOL     H3    3   0.148826   0.051255   0.037300
+    1SOL     O4    4  -0.145415  -0.011790   0.042952
+    1SOL     H5    5  -0.109605   0.047087   0.109386
+    1SOL     H6    6  -0.069541  -0.060221   0.010397
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051852  -0.033518  -0.128093
+    0SOL     H2    2  -0.141043  -0.038071  -0.093647
+    0SOL     H3    3  -0.049983  -0.098328  -0.198510
+    1SOL     O4    4   0.060359   0.034781   0.135064
+    1SOL     H5    5   0.031424   0.125904   0.130398
+    1SOL     H6    6   0.025983  -0.005429   0.055291
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006192  -0.062156  -0.130064
+    0SOL     H2    2  -0.012144   0.015721  -0.185400
+    0SOL     H3    3   0.080968  -0.097554  -0.147744
+    1SOL     O4    4  -0.000583   0.055999   0.138987
+    1SOL     H5    5   0.005334   0.037183   0.045321
+    1SOL     H6    6   0.032195   0.145518   0.147600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116411   0.063881  -0.048973
+    0SOL     H2    2   0.117262   0.113302  -0.130943
+    0SOL     H3    3   0.190429   0.098643   0.000779
+    1SOL     O4    4  -0.127852  -0.068495   0.052253
+    1SOL     H5    5  -0.086467  -0.070673  -0.034031
+    1SOL     H6    6  -0.054689  -0.065237   0.113887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083889   0.055763  -0.104169
+    0SOL     H2    2  -0.053231   0.105686  -0.179866
+    0SOL     H3    3  -0.112048   0.122278  -0.041359
+    1SOL     O4    4   0.082518  -0.063153   0.111442
+    1SOL     H5    5   0.017918  -0.071388   0.041289
+    1SOL     H6    6   0.163287  -0.037702   0.066823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106638  -0.027315   0.096894
+    0SOL     H2    2  -0.133534   0.051993   0.143255
+    0SOL     H3    3  -0.175568  -0.041761   0.032069
+    1SOL     O4    4   0.113224   0.027872  -0.101289
+    1SOL     H5    5   0.126171   0.045936  -0.008185
+    1SOL     H6    6   0.087426  -0.064251  -0.104500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079934  -0.085439  -0.102752
+    0SOL     H2    2  -0.011279  -0.058722  -0.163867
+    0SOL     H3    3  -0.062877  -0.034307  -0.023651
+    1SOL     O4    4   0.074578   0.084071   0.095985
+    1SOL     H5    5   0.141150   0.020632   0.122553
+    1SOL     H6    6   0.016719   0.091355   0.171890
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.145850   0.032086  -0.039769
+    0SOL     H2    2   0.134310   0.118063  -0.080231
+    0SOL     H3    3   0.059033  -0.008051  -0.043521
+    1SOL     O4    4  -0.138327  -0.039601   0.046977
+    1SOL     H5    5  -0.165175  -0.053565  -0.043833
+    1SOL     H6    6  -0.139686   0.055466   0.058057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015408   0.057355   0.138877
+    0SOL     H2    2  -0.058201   0.140211   0.160461
+    0SOL     H3    3   0.048115   0.080122   0.070989
+    1SOL     O4    4   0.020369  -0.065664  -0.138641
+    1SOL     H5    5  -0.034043   0.010859  -0.157238
+    1SOL     H6    6  -0.029604  -0.115502  -0.073979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119613  -0.002679   0.093472
+    0SOL     H2    2  -0.093683  -0.018686   0.002732
+    0SOL     H3    3  -0.213317   0.016262   0.088669
+    1SOL     O4    4   0.120090   0.007513  -0.088523
+    1SOL     H5    5   0.202971  -0.003035  -0.041811
+    1SOL     H6    6   0.102051  -0.079026  -0.125236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025518   0.090194  -0.111473
+    0SOL     H2    2  -0.008364   0.184351  -0.109873
+    0SOL     H3    3  -0.039656   0.069945  -0.203952
+    1SOL     O4    4   0.028742  -0.093812   0.121975
+    1SOL     H5    5  -0.012721  -0.170934   0.083305
+    1SOL     H6    6   0.009983  -0.023030   0.060328
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136481   0.041473  -0.067236
+    0SOL     H2    2  -0.055678   0.001148  -0.035501
+    0SOL     H3    3  -0.138746   0.127264  -0.024841
+    1SOL     O4    4   0.132842  -0.038076   0.063595
+    1SOL     H5    5   0.141180  -0.090638  -0.015967
+    1SOL     H6    6   0.105114  -0.100407   0.130740
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033095  -0.151766  -0.015555
+    0SOL     H2    2  -0.058679  -0.126796  -0.004773
+    0SOL     H3    3   0.073204  -0.132990   0.069304
+    1SOL     O4    4  -0.033673   0.153259   0.006850
+    1SOL     H5    5  -0.016987   0.156970   0.101031
+    1SOL     H6    6   0.015558   0.076890  -0.023255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122811   0.050349   0.081103
+    0SOL     H2    2  -0.063284   0.023454   0.011135
+    0SOL     H3    3  -0.182922  -0.023460   0.091166
+    1SOL     O4    4   0.117373  -0.048519  -0.077119
+    1SOL     H5    5   0.179198  -0.011318  -0.014221
+    1SOL     H6    6   0.153255  -0.025158  -0.162728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.115237  -0.021869   0.089797
+    0SOL     H2    2   0.115422  -0.089554   0.157480
+    0SOL     H3    3   0.171583   0.047169   0.124743
+    1SOL     O4    4  -0.117760   0.020932  -0.102122
+    1SOL     H5    5  -0.064153  -0.019764  -0.034060
+    1SOL     H6    6  -0.183320   0.071445  -0.054033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076886  -0.075544   0.105779
+    0SOL     H2    2   0.063871  -0.167666   0.083272
+    0SOL     H3    3   0.170092  -0.060036   0.090470
+    1SOL     O4    4  -0.087327   0.078243  -0.104356
+    1SOL     H5    5  -0.044978   0.158519  -0.134763
+    1SOL     H6    6  -0.017896   0.030002  -0.059473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148374   0.002801   0.039939
+    0SOL     H2    2   0.100862  -0.079664   0.050166
+    0SOL     H3    3   0.174793   0.026461   0.128847
+    1SOL     O4    4  -0.152959  -0.001301  -0.045345
+    1SOL     H5    5  -0.126501   0.073786  -0.098488
+    1SOL     H6    6  -0.071049  -0.035196  -0.009230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098434  -0.096035  -0.074838
+    0SOL     H2    2  -0.173606  -0.131388  -0.027281
+    0SOL     H3    3  -0.041054  -0.061245  -0.006578
+    1SOL     O4    4   0.098113   0.102786   0.066178
+    1SOL     H5    5   0.141920   0.038545   0.010353
+    1SOL     H6    6   0.083517   0.056766   0.148830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072237   0.106020  -0.089759
+    0SOL     H2    2  -0.041944   0.021836  -0.055735
+    0SOL     H3    3  -0.094849   0.088269  -0.181061
+    1SOL     O4    4   0.067195  -0.102672   0.089903
+    1SOL     H5    5   0.156921  -0.081454   0.064186
+    1SOL     H6    6   0.060666  -0.073223   0.180746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082452   0.126345   0.000816
+    0SOL     H2    2  -0.144711   0.139387   0.072342
+    0SOL     H3    3  -0.136987   0.119791  -0.077576
+    1SOL     O4    4   0.090685  -0.133220  -0.001535
+    1SOL     H5    5   0.031701  -0.082030  -0.056878
+    1SOL     H6    6   0.114468  -0.073769   0.069614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003292   0.024597  -0.154638
+    0SOL     H2    2   0.029840   0.092969  -0.212861
+    0SOL     H3    3   0.011420   0.058922  -0.066504
+    1SOL     O4    4   0.001818  -0.024227   0.152564
+    1SOL     H5    5   0.058752  -0.096051   0.180173
+    1SOL     H6    6  -0.079641  -0.066979   0.126124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137618  -0.048954  -0.069458
+    0SOL     H2    2  -0.110660  -0.101796   0.005664
+    0SOL     H3    3  -0.197900   0.015775  -0.032872
+    1SOL     O4    4   0.138160   0.043434   0.065701
+    1SOL     H5    5   0.102504   0.066147  -0.020177
+    1SOL     H6    6   0.199492   0.114154   0.085690
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096462  -0.129200   0.042720
+    0SOL     H2    2  -0.070571  -0.069333  -0.027336
+    0SOL     H3    3  -0.116876  -0.072087   0.116772
+    1SOL     O4    4   0.097556   0.116925  -0.043244
+    1SOL     H5    5   0.039722   0.169434  -0.098564
+    1SOL     H6    6   0.130628   0.178502   0.022153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.155771   0.045626  -0.038211
+    0SOL     H2    2  -0.064825   0.065601  -0.016027
+    0SOL     H3    3  -0.207387   0.094112   0.026188
+    1SOL     O4    4   0.151428  -0.050128   0.027195
+    1SOL     H5    5   0.237713  -0.031322   0.064122
+    1SOL     H6    6   0.093110  -0.053598   0.103019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.141905   0.035632  -0.075442
+    0SOL     H2    2   0.111724   0.081309  -0.153960
+    0SOL     H3    3   0.139318  -0.057076  -0.099123
+    1SOL     O4    4  -0.140267  -0.038926   0.083174
+    1SOL     H5    5  -0.082546   0.031327   0.113094
+    1SOL     H6    6  -0.194414   0.001689   0.015492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046570   0.140805   0.079030
+    0SOL     H2    2   0.118154   0.198695   0.052824
+    0SOL     H3    3   0.080744   0.052504   0.064979
+    1SOL     O4    4  -0.054739  -0.132538  -0.077789
+    1SOL     H5    5   0.028425  -0.165705  -0.043938
+    1SOL     H6    6  -0.106735  -0.211072  -0.094854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005662  -0.038960  -0.164828
+    0SOL     H2    2   0.019253  -0.089237  -0.087279
+    0SOL     H3    3   0.059716  -0.062443  -0.230680
+    1SOL     O4    4  -0.004781   0.040555   0.169124
+    1SOL     H5    5   0.044365  -0.008579   0.103300
+    1SOL     H6    6   0.027571   0.130292   0.161194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084172   0.113636   0.099787
+    0SOL     H2    2   0.113694   0.109750   0.190758
+    0SOL     H3    3   0.117154   0.032878   0.060383
+    1SOL     O4    4  -0.093690  -0.109783  -0.099588
+    1SOL     H5    5  -0.029855  -0.168264  -0.140422
+    1SOL     H6    6  -0.060006  -0.021825  -0.116647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.174354   0.028772   0.036408
+    0SOL     H2    2   0.137152  -0.059406   0.034693
+    0SOL     H3    3   0.106663   0.084139  -0.002512
+    1SOL     O4    4  -0.165615  -0.031232  -0.038001
+    1SOL     H5    5  -0.166661  -0.032365   0.057707
+    1SOL     H6    6  -0.214171   0.047811  -0.061598
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.087969   0.143882   0.067682
+    0SOL     H2    2   0.009351   0.125028   0.118927
+    0SOL     H3    3   0.055704   0.158614  -0.021224
+    1SOL     O4    4  -0.080395  -0.149353  -0.062122
+    1SOL     H5    5  -0.136968  -0.139349  -0.138684
+    1SOL     H6    6  -0.046797  -0.061290  -0.045438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076022  -0.126142  -0.103831
+    0SOL     H2    2   0.023331  -0.159853  -0.176285
+    0SOL     H3    3   0.076566  -0.031287  -0.116656
+    1SOL     O4    4  -0.074376   0.128871   0.109576
+    1SOL     H5    5   0.012073   0.088009   0.113964
+    1SOL     H6    6  -0.134149   0.056582   0.090504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.100723   0.115294   0.104066
+    0SOL     H2    2   0.017893   0.090517   0.145146
+    0SOL     H3    3   0.154817   0.036527   0.109709
+    1SOL     O4    4  -0.101139  -0.110350  -0.113211
+    1SOL     H5    5  -0.034161  -0.153891  -0.060481
+    1SOL     H6    6  -0.130415  -0.037049  -0.059061
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079878   0.119695  -0.100645
+    0SOL     H2    2  -0.161319   0.136785  -0.053341
+    0SOL     H3    3  -0.076309   0.187904  -0.167705
+    1SOL     O4    4   0.078037  -0.125340   0.104006
+    1SOL     H5    5   0.107275  -0.099125   0.016712
+    1SOL     H6    6   0.158922  -0.141832   0.152461
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004971   0.002087  -0.175093
+    0SOL     H2    2  -0.089553  -0.021946  -0.212915
+    0SOL     H3    3   0.057996  -0.012983  -0.245594
+    1SOL     O4    4   0.007407  -0.002971   0.188361
+    1SOL     H5    5  -0.048658  -0.031540   0.116230
+    1SOL     H6    6   0.046547   0.078721   0.157431
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133290   0.027101   0.126101
+    0SOL     H2    2   0.209871   0.084463   0.128780
+    0SOL     H3    3   0.103625   0.030903   0.035174
+    1SOL     O4    4  -0.131899  -0.024957  -0.120259
+    1SOL     H5    5  -0.137284  -0.102884  -0.064936
+    1SOL     H6    6  -0.194613  -0.041175  -0.190731
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025154   0.174038   0.049589
+    0SOL     H2    2   0.021762   0.213304   0.123206
+    0SOL     H3    3  -0.116952   0.174378   0.076707
+    1SOL     O4    4   0.022415  -0.177746  -0.060499
+    1SOL     H5    5   0.047542  -0.231822   0.014380
+    1SOL     H6    6   0.067948  -0.094722  -0.046498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122448  -0.026369  -0.132277
+    0SOL     H2    2   0.169436  -0.077568  -0.066451
+    0SOL     H3    3   0.163579  -0.050472  -0.215281
+    1SOL     O4    4  -0.132828   0.032299   0.129521
+    1SOL     H5    5  -0.120623  -0.051561   0.174027
+    1SOL     H6    6  -0.051555   0.080169   0.145817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.166065   0.007169  -0.097536
+    0SOL     H2    2   0.115568   0.025123  -0.018227
+    0SOL     H3    3   0.183428   0.093527  -0.134995
+    1SOL     O4    4  -0.164676  -0.016756   0.090282
+    1SOL     H5    5  -0.174658   0.078241   0.084106
+    1SOL     H6    6  -0.145966  -0.032961   0.182746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125025  -0.025046   0.137602
+    0SOL     H2    2   0.205392  -0.004651   0.089773
+    0SOL     H3    3   0.120539   0.041350   0.206404
+    1SOL     O4    4  -0.129357   0.024563  -0.134707
+    1SOL     H5    5  -0.093254  -0.063654  -0.125954
+    1SOL     H6    6  -0.167242   0.026379  -0.222592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030420   0.160485   0.099420
+    0SOL     H2    2  -0.046376   0.206073   0.064978
+    0SOL     H3    3   0.014198   0.153864   0.193523
+    1SOL     O4    4  -0.029634  -0.159024  -0.104040
+    1SOL     H5    5   0.047097  -0.143294  -0.049019
+    1SOL     H6    6  -0.017772  -0.248161  -0.136848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091745   0.074602   0.159358
+    0SOL     H2    2  -0.088297   0.109967   0.248239
+    0SOL     H3    3  -0.027523   0.126112   0.110526
+    1SOL     O4    4   0.087513  -0.077839  -0.155020
+    1SOL     H5    5   0.024221  -0.072827  -0.226653
+    1SOL     H6    6   0.170458  -0.099236  -0.197737
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076397   0.052832  -0.178868
+    0SOL     H2    2   0.003007  -0.008214  -0.185905
+    0SOL     H3    3   0.153158   0.000950  -0.202917
+    1SOL     O4    4  -0.082781  -0.045749   0.179603
+    1SOL     H5    5  -0.034182  -0.121155   0.146219
+    1SOL     H6    6  -0.018150   0.004338   0.229367
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.170535   0.100614   0.049846
+    0SOL     H2    2  -0.145417   0.191163   0.031615
+    0SOL     H3    3  -0.165808   0.056824  -0.035139
+    1SOL     O4    4   0.168936  -0.107712  -0.049280
+    1SOL     H5    5   0.234824  -0.042124  -0.026495
+    1SOL     H6    6   0.100935  -0.097560   0.017317
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074869   0.154157  -0.108162
+    0SOL     H2    2  -0.079618   0.226375  -0.045517
+    0SOL     H3    3  -0.005701   0.179806  -0.169156
+    1SOL     O4    4   0.074359  -0.165532   0.108922
+    1SOL     H5    5   0.052054  -0.100024   0.175054
+    1SOL     H6    6   0.038357  -0.130570   0.027412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.153928   0.147400  -0.039723
+    0SOL     H2    2  -0.090772   0.095523  -0.089547
+    0SOL     H3    3  -0.109943   0.165435   0.043358
+    1SOL     O4    4   0.149380  -0.150981   0.041350
+    1SOL     H5    5   0.214764  -0.091659   0.004361
+    1SOL     H6    6   0.065316  -0.112701   0.016247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.115401   0.152124   0.105773
+    0SOL     H2    2   0.023397   0.132380   0.123317
+    0SOL     H3    3   0.151271   0.070459   0.071040
+    1SOL     O4    4  -0.117895  -0.145655  -0.102913
+    1SOL     H5    5  -0.048311  -0.194866  -0.059340
+    1SOL     H6    6  -0.079155  -0.117615  -0.185830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065394   0.046988  -0.196412
+    0SOL     H2    2  -0.097350   0.109378  -0.261593
+    0SOL     H3    3   0.028089   0.066074  -0.188732
+    1SOL     O4    4   0.064245  -0.047191   0.196677
+    1SOL     H5    5   0.104725  -0.128074   0.228008
+    1SOL     H6    6  -0.026987  -0.053498   0.224949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.178173   0.109902  -0.037333
+    0SOL     H2    2   0.186117   0.205245  -0.034356
+    0SOL     H3    3   0.244981   0.078342   0.023519
+    1SOL     O4    4  -0.179640  -0.110730   0.028902
+    1SOL     H5    5  -0.262203  -0.158905   0.023925
+    1SOL     H6    6  -0.154462  -0.115724   0.121116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.229707  -0.005998  -0.037273
+    0SOL     H2    2   0.178163   0.026215  -0.111219
+    0SOL     H3    3   0.165260  -0.022376   0.031580
+    1SOL     O4    4  -0.227465   0.002612   0.032402
+    1SOL     H5    5  -0.245623   0.036825   0.119936
+    1SOL     H6    6  -0.132168   0.006633   0.024356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051826   0.151629  -0.159281
+    0SOL     H2    2  -0.147111   0.159324  -0.164174
+    0SOL     H3    3  -0.026573   0.210850  -0.088447
+    1SOL     O4    4   0.060550  -0.151765   0.154568
+    1SOL     H5    5   0.003369  -0.189685   0.087824
+    1SOL     H6    6   0.025321  -0.184050   0.237508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001612   0.213019  -0.084669
+    0SOL     H2    2   0.034041   0.301982  -0.070656
+    0SOL     H3    3   0.048043   0.160062  -0.019846
+    1SOL     O4    4  -0.006644  -0.210085   0.085377
+    1SOL     H5    5  -0.062618  -0.231302   0.010683
+    1SOL     H6    6   0.065925  -0.272215   0.079399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128173  -0.037939  -0.186404
+    0SOL     H2    2  -0.150114   0.001051  -0.271025
+    0SOL     H3    3  -0.170242   0.019100  -0.122068
+    1SOL     O4    4   0.130055   0.026369   0.185139
+    1SOL     H5    5   0.081284   0.108431   0.178103
+    1SOL     H6    6   0.208641   0.049333   0.234731
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121802  -0.196524   0.054386
+    0SOL     H2    2   0.169148  -0.180457   0.136010
+    0SOL     H3    3   0.063553  -0.121127   0.045189
+    1SOL     O4    4  -0.127348   0.190846  -0.058874
+    1SOL     H5    5  -0.057540   0.144287  -0.012817
+    1SOL     H6    6  -0.086561   0.272323  -0.088205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153441  -0.199943   0.037488
+    0SOL     H2    2   0.178187  -0.217625  -0.053272
+    0SOL     H3    3   0.057783  -0.203409   0.037391
+    1SOL     O4    4  -0.146387   0.206007  -0.028750
+    1SOL     H5    5  -0.232128   0.199893  -0.070862
+    1SOL     H6    6  -0.103899   0.122560  -0.048591
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027116   0.146643  -0.203489
+    0SOL     H2    2   0.031992   0.238910  -0.228495
+    0SOL     H3    3  -0.065211   0.123738  -0.214145
+    1SOL     O4    4  -0.019258  -0.151936   0.212221
+    1SOL     H5    5  -0.042669  -0.070371   0.167934
+    1SOL     H6    6  -0.039370  -0.220471   0.148497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019638  -0.221194  -0.137159
+    0SOL     H2    2   0.049363  -0.298751  -0.184737
+    0SOL     H3    3  -0.070321  -0.207760  -0.166979
+    1SOL     O4    4  -0.014290   0.222856   0.146937
+    1SOL     H5    5  -0.074320   0.294560   0.126509
+    1SOL     H6    6   0.010300   0.187100   0.061619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.167873  -0.202452   0.101045
+    0SOL     H2    2   0.120543  -0.166518   0.176084
+    0SOL     H3    3   0.141229  -0.147523   0.027321
+    1SOL     O4    4  -0.157973   0.199983  -0.100956
+    1SOL     H5    5  -0.214105   0.186376  -0.177287
+    1SOL     H6    6  -0.208274   0.164663  -0.027575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.175349  -0.234737  -0.033576
+    0SOL     H2    2   0.229247  -0.237945   0.045462
+    0SOL     H3    3   0.135241  -0.147844  -0.031761
+    1SOL     O4    4  -0.172798   0.232179   0.034407
+    1SOL     H5    5  -0.190983   0.282811  -0.044763
+    1SOL     H6    6  -0.212610   0.146709   0.017907
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039873   0.244535   0.148093
+    0SOL     H2    2   0.065304   0.282146   0.063826
+    0SOL     H3    3  -0.015227   0.311500   0.188614
+    1SOL     O4    4  -0.037310  -0.244065  -0.147514
+    1SOL     H5    5   0.023874  -0.297864  -0.097269
+    1SOL     H6    6  -0.112484  -0.301275  -0.162948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.173454   0.162587  -0.181021
+    0SOL     H2    2   0.156796   0.165371  -0.086803
+    0SOL     H3    3   0.268008   0.175130  -0.189056
+    1SOL     O4    4  -0.174871  -0.168048   0.179666
+    1SOL     H5    5  -0.135836  -0.120484   0.106343
+    1SOL     H6    6  -0.263300  -0.132185   0.187183
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.172739  -0.061312   0.262326
+    0SOL     H2    2  -0.119486  -0.054658   0.341585
+    0SOL     H3    3  -0.159878   0.022374   0.217676
+    1SOL     O4    4   0.169532   0.057925  -0.271218
+    1SOL     H5    5   0.230376   0.004191  -0.220493
+    1SOL     H6    6   0.104784   0.087689  -0.207310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041996  -0.275168  -0.231717
+    0SOL     H2    2  -0.036879  -0.182476  -0.208388
+    0SOL     H3    3  -0.089858  -0.315532  -0.159314
+    1SOL     O4    4   0.045093   0.266395   0.223748
+    1SOL     H5    5  -0.029617   0.325133   0.212318
+    1SOL     H6    6   0.103975   0.313632   0.282602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041100   0.193628  -0.301437
+    0SOL     H2    2  -0.114798   0.180670  -0.241745
+    0SOL     H3    3  -0.078121   0.242334  -0.375054
+    1SOL     O4    4   0.043824  -0.198571   0.297381
+    1SOL     H5    5   0.125642  -0.227291   0.337920
+    1SOL     H6    6   0.023213  -0.115853   0.340916
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.350134   0.067112  -0.238566
+    0SOL     H2    2  -0.434455   0.111298  -0.248560
+    0SOL     H3    3  -0.290968   0.114880  -0.296702
+    1SOL     O4    4   0.348129  -0.067240   0.239231
+    1SOL     H5    5   0.341039  -0.097185   0.329870
+    1SOL     H6    6   0.416544  -0.122242   0.201067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.326284  -0.009251  -0.310937
+    0SOL     H2    2   0.281551   0.034939  -0.238767
+    0SOL     H3    3   0.414407  -0.026320  -0.277694
+    1SOL     O4    4  -0.334696   0.009232   0.305534
+    1SOL     H5    5  -0.261301   0.070580   0.308978
+    1SOL     H6    6  -0.293660  -0.076832   0.297085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.489412  -0.030814   0.369242
+    0SOL     H2    2   0.539014   0.050199   0.357461
+    0SOL     H3    3   0.398062  -0.002581   0.373759
+    1SOL     O4    4  -0.483615   0.020706  -0.372998
+    1SOL     H5    5  -0.558420   0.076288  -0.394842
+    1SOL     H6    6  -0.467511   0.037536  -0.280156
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.410761  -0.068435   0.521579
+    0SOL     H2    2  -0.461255  -0.043985   0.444024
+    0SOL     H3    3  -0.355384   0.007642   0.539128
+    1SOL     O4    4   0.405646   0.060719  -0.522387
+    1SOL     H5    5   0.395475   0.085137  -0.430394
+    1SOL     H6    6   0.498866   0.073005  -0.540313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.535188  -0.173581   0.436543
+    0SOL     H2    2  -0.609311  -0.231442   0.454435
+    0SOL     H3    3  -0.466356  -0.203721   0.495840
+    1SOL     O4    4   0.536568   0.178915  -0.435278
+    1SOL     H5    5   0.498727   0.250243  -0.486684
+    1SOL     H6    6   0.549790   0.108210  -0.498431
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.677144   0.392107   0.152700
+    0SOL     H2    2   0.706994   0.451431   0.221635
+    0SOL     H3    3   0.582055   0.402975   0.151199
+    1SOL     O4    4  -0.680290  -0.394468  -0.158340
+    1SOL     H5    5  -0.654892  -0.436261  -0.076057
+    1SOL     H6    6  -0.597317  -0.372705  -0.200815
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065184   0.090394  -0.054500
+    0SOL     H2    2   0.129938   0.068566   0.012528
+    0SOL     H3    3   0.112774   0.082835  -0.137207
+    1SOL     O4    4  -0.077912  -0.090052   0.055438
+    1SOL     H5    5  -0.032668  -0.042940  -0.014531
+    1SOL     H6    6  -0.008703  -0.113392   0.117306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.049002   0.013658  -0.123269
+    0SOL     H2    2   0.004851   0.008689  -0.038485
+    0SOL     H3    3   0.112015  -0.058380  -0.121771
+    1SOL     O4    4  -0.045091  -0.012720   0.112516
+    1SOL     H5    5  -0.131167   0.025167   0.094687
+    1SOL     H6    6  -0.028830   0.007000   0.204760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013560   0.106989   0.062207
+    0SOL     H2    2  -0.088336   0.143554   0.014944
+    0SOL     H3    3  -0.019416   0.145314   0.149724
+    1SOL     O4    4   0.021735  -0.116316  -0.065301
+    1SOL     H5    5  -0.040170  -0.081391  -0.129412
+    1SOL     H6    6   0.013817  -0.057815   0.010046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001666   0.044758  -0.129419
+    0SOL     H2    2  -0.000479   0.026675  -0.035430
+    0SOL     H3    3   0.090280   0.040938  -0.155756
+    1SOL     O4    4  -0.006138  -0.043599   0.119552
+    1SOL     H5    5  -0.048804  -0.009328   0.198086
+    1SOL     H6    6   0.079031  -0.074762   0.150171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074540   0.021866   0.103660
+    0SOL     H2    2  -0.034995  -0.030384   0.173435
+    0SOL     H3    3  -0.142319   0.073219   0.147605
+    1SOL     O4    4   0.078915  -0.023615  -0.115291
+    1SOL     H5    5   0.003504  -0.065653  -0.073960
+    1SOL     H6    6   0.099893   0.049958  -0.057765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094781  -0.074911  -0.050043
+    0SOL     H2    2  -0.124655  -0.080386  -0.140817
+    0SOL     H3    3  -0.078145  -0.165713  -0.024735
+    1SOL     O4    4   0.102296   0.080829   0.052358
+    1SOL     H5    5   0.045205   0.009441   0.023955
+    1SOL     H6    6   0.044801   0.139380   0.101638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035746  -0.029879   0.123257
+    0SOL     H2    2  -0.065237   0.018108   0.200651
+    0SOL     H3    3  -0.108027  -0.089209   0.102820
+    1SOL     O4    4   0.039501   0.025435  -0.131027
+    1SOL     H5    5   0.003832   0.042591  -0.043873
+    1SOL     H6    6   0.108287   0.091064  -0.142152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059345   0.075489  -0.089172
+    0SOL     H2    2  -0.119873   0.135950  -0.132103
+    0SOL     H3    3  -0.000261   0.047112  -0.158930
+    1SOL     O4    4   0.062122  -0.082548   0.093420
+    1SOL     H5    5   0.036816  -0.070252   0.184911
+    1SOL     H6    6   0.036804  -0.000907   0.050337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095657   0.092969  -0.013656
+    0SOL     H2    2   0.179947   0.089753   0.031591
+    0SOL     H3    3   0.046366   0.160990   0.032233
+    1SOL     O4    4  -0.098946  -0.103656   0.005902
+    1SOL     H5    5  -0.014993  -0.058623  -0.003388
+    1SOL     H6    6  -0.154678  -0.041191   0.052317
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.105162  -0.080264   0.014380
+    0SOL     H2    2  -0.155496  -0.109299  -0.061685
+    0SOL     H3    3  -0.168890  -0.034649   0.069338
+    1SOL     O4    4   0.112392   0.085033  -0.010083
+    1SOL     H5    5   0.043494   0.019395   0.000264
+    1SOL     H6    6   0.170558   0.048468  -0.076732
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032347   0.069978   0.117989
+    0SOL     H2    2   0.044403   0.116608   0.151116
+    0SOL     H3    3   0.002111   0.012627   0.049537
+    1SOL     O4    4   0.024556  -0.071756  -0.109842
+    1SOL     H5    5   0.092549  -0.103171  -0.169444
+    1SOL     H6    6  -0.011137   0.005898  -0.152949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030419  -0.136184   0.033407
+    0SOL     H2    2  -0.033786  -0.042355   0.014777
+    0SOL     H3    3   0.057301  -0.162959   0.006011
+    1SOL     O4    4   0.025819   0.125596  -0.030958
+    1SOL     H5    5   0.061154   0.186324  -0.095964
+    1SOL     H6    6  -0.011313   0.181996   0.036885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105964   0.030977   0.090446
+    0SOL     H2    2   0.012148   0.034586   0.071792
+    0SOL     H3    3   0.144636   0.095866   0.031657
+    1SOL     O4    4  -0.102725  -0.029699  -0.081357
+    1SOL     H5    5  -0.029301  -0.087983  -0.100703
+    1SOL     H6    6  -0.173316  -0.060315  -0.138294
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051414   0.124703   0.033504
+    0SOL     H2    2   0.082003   0.111900  -0.056288
+    0SOL     H3    3  -0.028991   0.175836   0.024405
+    1SOL     O4    4  -0.054059  -0.127173  -0.026460
+    1SOL     H5    5  -0.006014  -0.187986  -0.082636
+    1SOL     H6    6   0.009242  -0.058378  -0.005903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058952   0.122418  -0.011803
+    0SOL     H2    2   0.012900   0.169974  -0.053492
+    0SOL     H3    3  -0.125147   0.113969  -0.080426
+    1SOL     O4    4   0.057284  -0.127040   0.024354
+    1SOL     H5    5   0.132387  -0.149152  -0.030718
+    1SOL     H6    6   0.007098  -0.064229  -0.027593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035157   0.055384  -0.122855
+    0SOL     H2    2   0.097820   0.111930  -0.077708
+    0SOL     H3    3  -0.047001   0.104471  -0.121183
+    1SOL     O4    4  -0.034331  -0.058704   0.125338
+    1SOL     H5    5  -0.068707  -0.146458   0.108614
+    1SOL     H6    6   0.002342  -0.030897   0.041409
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058270  -0.131598  -0.004222
+    0SOL     H2    2  -0.025464  -0.149478   0.038571
+    0SOL     H3    3   0.106265  -0.077599   0.058570
+    1SOL     O4    4  -0.055659   0.131590   0.004148
+    1SOL     H5    5  -0.108635   0.172034  -0.064555
+    1SOL     H6    6  -0.015005   0.056014  -0.038253
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009103   0.129016  -0.073172
+    0SOL     H2    2  -0.066325   0.124829   0.003447
+    0SOL     H3    3   0.025442   0.040205  -0.082208
+    1SOL     O4    4   0.011055  -0.117120   0.065704
+    1SOL     H5    5  -0.062112  -0.178722   0.061944
+    1SOL     H6    6   0.073069  -0.157204   0.126612
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126386   0.017254  -0.069657
+    0SOL     H2    2  -0.092002   0.081998  -0.131206
+    0SOL     H3    3  -0.106099   0.053129   0.016736
+    1SOL     O4    4   0.125452  -0.028360   0.072422
+    1SOL     H5    5   0.049116  -0.025485   0.014744
+    1SOL     H6    6   0.166567   0.057463   0.062113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.098660   0.071139   0.064433
+    0SOL     H2    2   0.148557   0.020368   0.128424
+    0SOL     H3    3   0.165225   0.114333   0.010901
+    1SOL     O4    4  -0.111353  -0.067979  -0.067637
+    1SOL     H5    5  -0.044606  -0.018199  -0.020425
+    1SOL     H6    6  -0.076723  -0.157142  -0.071239
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006282  -0.001565   0.152720
+    0SOL     H2    2   0.047846  -0.085216   0.173628
+    0SOL     H3    3  -0.020665  -0.010345   0.061291
+    1SOL     O4    4  -0.004346   0.008693  -0.142941
+    1SOL     H5    5  -0.058966   0.058952  -0.203382
+    1SOL     H6    6   0.003197  -0.077656  -0.183554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006804  -0.116271   0.087293
+    0SOL     H2    2  -0.093240  -0.157173   0.083030
+    0SOL     H3    3   0.053170  -0.183470   0.054893
+    1SOL     O4    4   0.009455   0.129214  -0.084239
+    1SOL     H5    5  -0.020108   0.087694  -0.165260
+    1SOL     H6    6   0.019399   0.056818  -0.022415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040103   0.101931   0.098327
+    0SOL     H2    2   0.066736   0.157903   0.025389
+    0SOL     H3    3  -0.028626   0.151540   0.142796
+    1SOL     O4    4  -0.038311  -0.114088  -0.097601
+    1SOL     H5    5  -0.009277  -0.073275  -0.016031
+    1SOL     H6    6  -0.057113  -0.040520  -0.155881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133661  -0.040008   0.057275
+    0SOL     H2    2  -0.044943  -0.026373   0.090525
+    0SOL     H3    3  -0.190415  -0.000268   0.123321
+    1SOL     O4    4   0.127086   0.041605  -0.061592
+    1SOL     H5    5   0.220868   0.058964  -0.053474
+    1SOL     H6    6   0.121653  -0.051689  -0.082303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068252   0.134147  -0.009168
+    0SOL     H2    2   0.019377   0.172661  -0.009587
+    0SOL     H3    3  -0.091743   0.126943  -0.101680
+    1SOL     O4    4   0.060537  -0.138980   0.019507
+    1SOL     H5    5   0.141395  -0.167078  -0.023328
+    1SOL     H6    6   0.040878  -0.053930  -0.019766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078258  -0.049439  -0.119409
+    0SOL     H2    2  -0.013535  -0.069466  -0.137716
+    0SOL     H3    3   0.098932   0.023700  -0.177595
+    1SOL     O4    4  -0.077414   0.051451   0.118463
+    1SOL     H5    5  -0.087569   0.049140   0.213615
+    1SOL     H6    6  -0.019727  -0.022328   0.098686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100756  -0.014055   0.109987
+    0SOL     H2    2  -0.171189   0.048900   0.094551
+    0SOL     H3    3  -0.143085  -0.099620   0.102974
+    1SOL     O4    4   0.106133   0.017894  -0.114202
+    1SOL     H5    5   0.046483   0.002830  -0.040872
+    1SOL     H6    6   0.192309  -0.006531  -0.080447
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061379  -0.057769   0.134601
+    0SOL     H2    2   0.053625  -0.048052   0.039692
+    0SOL     H3    3   0.052621   0.031267   0.168636
+    1SOL     O4    4  -0.059865   0.053473  -0.125284
+    1SOL     H5    5   0.008880   0.033806  -0.188920
+    1SOL     H6    6  -0.141236   0.047992  -0.175395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.145936  -0.051987   0.024306
+    0SOL     H2    2   0.209986   0.012739  -0.005200
+    0SOL     H3    3   0.072059  -0.041721  -0.035687
+    1SOL     O4    4  -0.143894   0.053161  -0.014190
+    1SOL     H5    5  -0.120243   0.051687  -0.106931
+    1SOL     H6    6  -0.191861  -0.028510  -0.000356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088433   0.044419  -0.115079
+    0SOL     H2    2  -0.118299   0.127113  -0.152922
+    0SOL     H3    3  -0.152756   0.024548  -0.047034
+    1SOL     O4    4   0.099670  -0.045249   0.113060
+    1SOL     H5    5   0.035195  -0.035294   0.043016
+    1SOL     H6    6   0.052731  -0.091493   0.182491
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050599  -0.003648  -0.148096
+    0SOL     H2    2   0.013263  -0.028826  -0.214804
+    0SOL     H3    3   0.002413   0.024793  -0.073643
+    1SOL     O4    4   0.049705   0.005888   0.143997
+    1SOL     H5    5  -0.036854   0.042491   0.162164
+    1SOL     H6    6   0.051300  -0.076918   0.191985
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079887  -0.089995   0.087514
+    0SOL     H2    2   0.062748  -0.183788   0.079060
+    0SOL     H3    3   0.122352  -0.080953   0.172822
+    1SOL     O4    4  -0.079663   0.099901  -0.096304
+    1SOL     H5    5  -0.161132   0.050024  -0.090193
+    1SOL     H6    6  -0.024164   0.063771  -0.027189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046506  -0.071578  -0.130814
+    0SOL     H2    2  -0.140047  -0.091843  -0.132133
+    0SOL     H3    3  -0.011140  -0.126042  -0.060492
+    1SOL     O4    4   0.052123   0.081189   0.125686
+    1SOL     H5    5   0.069283   0.020892   0.198019
+    1SOL     H6    6  -0.013154   0.036281   0.071978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103780   0.021576   0.113942
+    0SOL     H2    2  -0.157444  -0.046853   0.153942
+    0SOL     H3    3  -0.033707   0.037200   0.177251
+    1SOL     O4    4   0.101694  -0.017380  -0.126625
+    1SOL     H5    5   0.035304  -0.019751  -0.057712
+    1SOL     H6    6   0.183801  -0.037070  -0.081535
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056950  -0.040117   0.137916
+    0SOL     H2    2   0.135234  -0.010238   0.184187
+    0SOL     H3    3   0.003138  -0.080994   0.205708
+    1SOL     O4    4  -0.062691   0.043999  -0.142102
+    1SOL     H5    5   0.023294   0.074723  -0.170822
+    1SOL     H6    6  -0.068403  -0.045659  -0.175133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055663  -0.029578   0.156220
+    0SOL     H2    2  -0.123042   0.031798   0.126974
+    0SOL     H3    3   0.023199  -0.002954   0.108950
+    1SOL     O4    4   0.060327   0.027544  -0.147766
+    1SOL     H5    5   0.034908  -0.063752  -0.161224
+    1SOL     H6    6   0.002947   0.077274  -0.206048
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122217  -0.020550  -0.106288
+    0SOL     H2    2  -0.175550  -0.094639  -0.077498
+    0SOL     H3    3  -0.060588  -0.058296  -0.169052
+    1SOL     O4    4   0.125434   0.020804   0.107760
+    1SOL     H5    5   0.156268   0.103881   0.143952
+    1SOL     H6    6   0.035850   0.038820   0.079255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026911  -0.051479   0.158397
+    0SOL     H2    2   0.050562  -0.039457   0.066428
+    0SOL     H3    3   0.108184  -0.035478   0.206366
+    1SOL     O4    4  -0.027231   0.050230  -0.154149
+    1SOL     H5    5  -0.073381   0.044356  -0.237803
+    1SOL     H6    6  -0.096434   0.045556  -0.088184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104039   0.111830   0.080221
+    0SOL     H2    2  -0.127877   0.052675   0.008843
+    0SOL     H3    3  -0.035435   0.167487   0.043367
+    1SOL     O4    4   0.100616  -0.106942  -0.077966
+    1SOL     H5    5   0.056539  -0.135812   0.001947
+    1SOL     H6    6   0.170451  -0.171024  -0.091343
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032840   0.101820  -0.135482
+    0SOL     H2    2  -0.029453   0.120164  -0.065160
+    0SOL     H3    3   0.109547   0.154915  -0.114050
+    1SOL     O4    4  -0.029548  -0.100165   0.133182
+    1SOL     H5    5  -0.026625  -0.135074   0.044103
+    1SOL     H6    6  -0.095237  -0.153638   0.177769
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062570  -0.153329  -0.035451
+    0SOL     H2    2  -0.029014  -0.125774  -0.039397
+    0SOL     H3    3   0.064072  -0.238072  -0.079935
+    1SOL     O4    4  -0.061197   0.154772   0.033776
+    1SOL     H5    5  -0.080018   0.222461   0.098786
+    1SOL     H6    6   0.027686   0.125800   0.054339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080124  -0.138032  -0.052277
+    0SOL     H2    2  -0.152128  -0.085403  -0.087033
+    0SOL     H3    3  -0.121398  -0.219809  -0.024505
+    1SOL     O4    4   0.083383   0.140351   0.058695
+    1SOL     H5    5   0.078914   0.202929  -0.013598
+    1SOL     H6    6   0.139538   0.070013   0.026113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010229  -0.139082  -0.096633
+    0SOL     H2    2   0.044148  -0.223978  -0.068266
+    0SOL     H3    3   0.083310  -0.098368  -0.143149
+    1SOL     O4    4  -0.014113   0.141390   0.103828
+    1SOL     H5    5  -0.023921   0.217193   0.046209
+    1SOL     H6    6  -0.039688   0.066668   0.049746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073666   0.062283   0.151179
+    0SOL     H2    2   0.090896   0.132462   0.088407
+    0SOL     H3    3   0.008817   0.006754   0.107894
+    1SOL     O4    4  -0.074993  -0.061074  -0.150723
+    1SOL     H5    5  -0.100037  -0.077245  -0.059764
+    1SOL     H6    6   0.018361  -0.081972  -0.153990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131346   0.084830  -0.078234
+    0SOL     H2    2   0.198116   0.056678  -0.140776
+    0SOL     H3    3   0.049386   0.081657  -0.127577
+    1SOL     O4    4  -0.130350  -0.078479   0.089004
+    1SOL     H5    5  -0.095734  -0.075631  -0.000192
+    1SOL     H6    6  -0.171164  -0.164765   0.096163
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012814   0.082516  -0.159282
+    0SOL     H2    2  -0.049847   0.149339  -0.131521
+    0SOL     H3    3  -0.036937   0.000759  -0.157529
+    1SOL     O4    4  -0.006797  -0.088179   0.157045
+    1SOL     H5    5   0.064728  -0.030650   0.129900
+    1SOL     H6    6  -0.072061  -0.029176   0.194749
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.162711  -0.041027  -0.064924
+    0SOL     H2    2  -0.121372  -0.099642  -0.128309
+    0SOL     H3    3  -0.140357   0.046908  -0.095422
+    1SOL     O4    4   0.164104   0.045761   0.069147
+    1SOL     H5    5   0.187733  -0.044086   0.092203
+    1SOL     H6    6   0.070222   0.041949   0.050875
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.156224  -0.088733  -0.001972
+    0SOL     H2    2   0.194670  -0.176188  -0.007953
+    0SOL     H3    3   0.073888  -0.095354  -0.050338
+    1SOL     O4    4  -0.157693   0.088459   0.002410
+    1SOL     H5    5  -0.076171   0.123122  -0.033854
+    1SOL     H6    6  -0.173178   0.140841   0.081014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013850   0.136337  -0.122756
+    0SOL     H2    2  -0.047998   0.195159  -0.190108
+    0SOL     H3    3  -0.019478   0.049176  -0.161919
+    1SOL     O4    4   0.013131  -0.138543   0.124473
+    1SOL     H5    5   0.053207  -0.163659   0.207692
+    1SOL     H6    6   0.027222  -0.044048   0.118602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097056   0.018836   0.164099
+    0SOL     H2    2   0.031596   0.009477   0.094891
+    0SOL     H3    3   0.158476  -0.052991   0.148909
+    1SOL     O4    4  -0.100195  -0.010828  -0.154694
+    1SOL     H5    5  -0.137941  -0.078104  -0.211363
+    1SOL     H6    6  -0.008403  -0.005729  -0.181351
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044749  -0.167128   0.072734
+    0SOL     H2    2  -0.025266  -0.215586   0.152950
+    0SOL     H3    3   0.008185  -0.087644   0.079256
+    1SOL     O4    4   0.041709   0.170163  -0.081639
+    1SOL     H5    5  -0.041240   0.144214  -0.041535
+    1SOL     H6    6   0.106940   0.113216  -0.040843
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012659   0.113222   0.149740
+    0SOL     H2    2   0.004192   0.060652   0.229282
+    0SOL     H3    3   0.101829   0.096434   0.119257
+    1SOL     O4    4  -0.014628  -0.111035  -0.157811
+    1SOL     H5    5  -0.104182  -0.127581  -0.128338
+    1SOL     H6    6   0.023079  -0.055189  -0.089829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.161610   0.079164  -0.049041
+    0SOL     H2    2   0.148940  -0.014857  -0.061761
+    0SOL     H3    3   0.246560   0.097572  -0.089127
+    1SOL     O4    4  -0.162623  -0.074031   0.047307
+    1SOL     H5    5  -0.129996  -0.092206   0.135440
+    1SOL     H6    6  -0.257647  -0.068690   0.057521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008193   0.131474   0.126136
+    0SOL     H2    2  -0.005584   0.091397   0.211964
+    0SOL     H3    3   0.033528   0.221711   0.145575
+    1SOL     O4    4  -0.004890  -0.139330  -0.129902
+    1SOL     H5    5  -0.040272  -0.060269  -0.089160
+    1SOL     H6    6  -0.038061  -0.136976  -0.219660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096954   0.044871  -0.164853
+    0SOL     H2    2  -0.075605  -0.047329  -0.150517
+    0SOL     H3    3  -0.014013   0.090955  -0.152227
+    1SOL     O4    4   0.088387  -0.046305   0.158694
+    1SOL     H5    5   0.110949  -0.067796   0.249201
+    1SOL     H6    6   0.115563   0.044873   0.148190
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076149   0.178813  -0.010285
+    0SOL     H2    2  -0.002646   0.233105  -0.007823
+    0SOL     H3    3   0.061426   0.118437  -0.083088
+    1SOL     O4    4  -0.066484  -0.182818   0.011246
+    1SOL     H5    5  -0.121805  -0.113593  -0.024945
+    1SOL     H6    6  -0.084782  -0.181509   0.105192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.176829  -0.046096   0.099417
+    0SOL     H2    2  -0.086335  -0.034475   0.070467
+    0SOL     H3    3  -0.201597  -0.132552   0.066639
+    1SOL     O4    4   0.172293   0.044916  -0.092315
+    1SOL     H5    5   0.215750   0.052874  -0.177230
+    1SOL     H6    6   0.145981   0.134290  -0.070353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120548   0.093903   0.131473
+    0SOL     H2    2  -0.201015   0.137527   0.103467
+    0SOL     H3    3  -0.079268   0.155952   0.191541
+    1SOL     O4    4   0.127280  -0.102168  -0.131207
+    1SOL     H5    5   0.039864  -0.138314  -0.116566
+    1SOL     H6    6   0.113842  -0.031852  -0.194747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014618   0.205722   0.043670
+    0SOL     H2    2   0.067982   0.182627   0.086169
+    0SOL     H3    3   0.005082   0.203333  -0.049970
+    1SOL     O4    4   0.014132  -0.201452  -0.044573
+    1SOL     H5    5  -0.034380  -0.160592   0.027117
+    1SOL     H6    6  -0.022121  -0.289823  -0.050781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028966  -0.059945   0.208926
+    0SOL     H2    2   0.053130  -0.010981   0.203923
+    0SOL     H3    3  -0.059583  -0.046364   0.298595
+    1SOL     O4    4   0.025588   0.059439  -0.209231
+    1SOL     H5    5   0.017076   0.090187  -0.299477
+    1SOL     H6    6   0.038450  -0.035078  -0.217192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012775   0.046062  -0.227505
+    0SOL     H2    2   0.046776   0.104688  -0.159909
+    0SOL     H3    3  -0.006777  -0.035323  -0.181067
+    1SOL     O4    4  -0.016984  -0.040957   0.216942
+    1SOL     H5    5   0.077428  -0.048118   0.230996
+    1SOL     H6    6  -0.054816  -0.108516   0.273216
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038149  -0.141059  -0.166498
+    0SOL     H2    2  -0.006589  -0.225407  -0.173290
+    0SOL     H3    3   0.128539  -0.159724  -0.191869
+    1SOL     O4    4  -0.040949   0.148850   0.175195
+    1SOL     H5    5   0.015431   0.082406   0.135587
+    1SOL     H6    6  -0.093883   0.181800   0.102568
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042166  -0.231897  -0.039322
+    0SOL     H2    2   0.018776  -0.141035  -0.020370
+    0SOL     H3    3  -0.023737  -0.260996  -0.102350
+    1SOL     O4    4  -0.033022   0.222764   0.041476
+    1SOL     H5    5  -0.034891   0.294415   0.104918
+    1SOL     H6    6  -0.102959   0.243698  -0.020435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050161   0.067899   0.235780
+    0SOL     H2    2  -0.031087  -0.006639   0.178837
+    0SOL     H3    3  -0.098803   0.128756   0.180168
+    1SOL     O4    4   0.048335  -0.061537  -0.227234
+    1SOL     H5    5   0.122843  -0.062118  -0.287322
+    1SOL     H6    6   0.029885  -0.154046  -0.210987
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.180357   0.113244  -0.131830
+    0SOL     H2    2   0.098950   0.097980  -0.083848
+    0SOL     H3    3   0.158031   0.095552  -0.223213
+    1SOL     O4    4  -0.179645  -0.107034   0.132654
+    1SOL     H5    5  -0.123548  -0.096883   0.209546
+    1SOL     H6    6  -0.151418  -0.189489   0.093072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013931   0.222449   0.122468
+    0SOL     H2    2  -0.071173   0.221604   0.045754
+    0SOL     H3    3   0.021335   0.133582   0.127076
+    1SOL     O4    4   0.019269  -0.218127  -0.123066
+    1SOL     H5    5   0.031768  -0.202437  -0.029472
+    1SOL     H6    6  -0.075696  -0.222671  -0.134166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.171315  -0.180854  -0.038856
+    0SOL     H2    2   0.105066  -0.125304  -0.079936
+    0SOL     H3    3   0.253773  -0.134357  -0.053039
+    1SOL     O4    4  -0.171485   0.176686   0.035207
+    1SOL     H5    5  -0.131960   0.222088   0.109631
+    1SOL     H6    6  -0.221984   0.105532   0.074568
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080241  -0.153929   0.180532
+    0SOL     H2    2   0.107477  -0.228848   0.127545
+    0SOL     H3    3  -0.013411  -0.167503   0.194939
+    1SOL     O4    4  -0.081092   0.158026  -0.173401
+    1SOL     H5    5  -0.030454   0.237757  -0.188926
+    1SOL     H6    6  -0.050434   0.096731  -0.240224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099198  -0.146289  -0.187066
+    0SOL     H2    2  -0.089845  -0.107777  -0.274197
+    0SOL     H3    3  -0.047370  -0.089507  -0.130041
+    1SOL     O4    4   0.094762   0.142089   0.181859
+    1SOL     H5    5   0.176158   0.137905   0.232053
+    1SOL     H6    6   0.026089   0.123548   0.245910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.161136  -0.032013  -0.197948
+    0SOL     H2    2   0.165455  -0.127361  -0.190710
+    0SOL     H3    3   0.231011  -0.000407  -0.140669
+    1SOL     O4    4  -0.163971   0.038318   0.199059
+    1SOL     H5    5  -0.130052   0.057735   0.111682
+    1SOL     H6    6  -0.222974  -0.035906   0.185951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093613   0.008015   0.245864
+    0SOL     H2    2  -0.027949   0.065169   0.285665
+    0SOL     H3    3  -0.061102  -0.007809   0.157236
+    1SOL     O4    4   0.088487  -0.006100  -0.237844
+    1SOL     H5    5   0.132904  -0.007172  -0.322628
+    1SOL     H6    6   0.030829  -0.082476  -0.239990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127073  -0.008076   0.222096
+    0SOL     H2    2  -0.173962  -0.088670   0.243735
+    0SOL     H3    3  -0.148732   0.052141   0.293280
+    1SOL     O4    4   0.131263   0.003296  -0.224103
+    1SOL     H5    5   0.108141   0.024321  -0.314577
+    1SOL     H6    6   0.141795   0.088424  -0.181622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118643   0.076133  -0.226769
+    0SOL     H2    2  -0.027358   0.059542  -0.203234
+    0SOL     H3    3  -0.144234  -0.000024  -0.278803
+    1SOL     O4    4   0.111927  -0.069313   0.223307
+    1SOL     H5    5   0.122321  -0.161242   0.247869
+    1SOL     H6    6   0.167903  -0.021623   0.284583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.198721   0.141066  -0.137379
+    0SOL     H2    2   0.165836   0.230919  -0.134696
+    0SOL     H3    3   0.241281   0.128544  -0.052560
+    1SOL     O4    4  -0.195942  -0.145386   0.137681
+    1SOL     H5    5  -0.264152  -0.207660   0.112549
+    1SOL     H6    6  -0.197058  -0.079324   0.068421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044038  -0.270458   0.058679
+    0SOL     H2    2   0.075641  -0.325833  -0.012715
+    0SOL     H3    3   0.113964  -0.206506   0.072204
+    1SOL     O4    4  -0.055141   0.268976  -0.060544
+    1SOL     H5    5   0.031058   0.227366  -0.059686
+    1SOL     H6    6  -0.054551   0.326973   0.015603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084447   0.013539  -0.283207
+    0SOL     H2    2   0.004080   0.034887  -0.330618
+    0SOL     H3    3   0.071454   0.050748  -0.195977
+    1SOL     O4    4  -0.073238  -0.017851   0.278322
+    1SOL     H5    5  -0.138004   0.047573   0.252103
+    1SOL     H6    6  -0.113433  -0.063016   0.352530
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.221420   0.170669  -0.109350
+    0SOL     H2    2   0.205496   0.264773  -0.102059
+    0SOL     H3    3   0.250461   0.144405  -0.022005
+    1SOL     O4    4  -0.226781  -0.176450   0.100296
+    1SOL     H5    5  -0.166702  -0.103710   0.084120
+    1SOL     H6    6  -0.201742  -0.209528   0.186559
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125475   0.073037   0.283889
+    0SOL     H2    2  -0.193554   0.098749   0.346069
+    0SOL     H3    3  -0.047155   0.061136   0.337617
+    1SOL     O4    4   0.128342  -0.072411  -0.295487
+    1SOL     H5    5   0.151958  -0.066149  -0.202937
+    1SOL     H6    6   0.038366  -0.105068  -0.295138
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.293698   0.173646   0.127311
+    0SOL     H2    2   0.353753   0.245044   0.105905
+    0SOL     H3    3   0.216200   0.217272   0.162710
+    1SOL     O4    4  -0.291716  -0.175747  -0.133140
+    1SOL     H5    5  -0.279501  -0.166989  -0.038608
+    1SOL     H6    6  -0.322234  -0.265671  -0.145165
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.353371  -0.198135  -0.061658
+    0SOL     H2    2   0.387973  -0.121812  -0.107917
+    0SOL     H3    3   0.302165  -0.161362   0.010370
+    1SOL     O4    4  -0.347810   0.197202   0.057418
+    1SOL     H5    5  -0.331095   0.105766   0.080275
+    1SOL     H6    6  -0.439400   0.211539   0.081249
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.151118  -0.365172  -0.165259
+    0SOL     H2    2  -0.230819  -0.319175  -0.138909
+    0SOL     H3    3  -0.170072  -0.397497  -0.253339
+    1SOL     O4    4   0.150266   0.363672   0.168470
+    1SOL     H5    5   0.207712   0.394068   0.238743
+    1SOL     H6    6   0.209218   0.346390   0.095065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014682   0.254266   0.365149
+    0SOL     H2    2  -0.046379   0.272468   0.293716
+    0SOL     H3    3   0.085035   0.318106   0.353438
+    1SOL     O4    4  -0.012119  -0.258685  -0.353520
+    1SOL     H5    5  -0.090483  -0.214100  -0.385669
+    1SOL     H6    6   0.019563  -0.308739  -0.428708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.143050  -0.334421   0.293298
+    0SOL     H2    2   0.126502  -0.365930   0.204440
+    0SOL     H3    3   0.075783  -0.267952   0.308107
+    1SOL     O4    4  -0.138651   0.326675  -0.286839
+    1SOL     H5    5  -0.210649   0.374470  -0.328001
+    1SOL     H6    6  -0.063588   0.385656  -0.293841
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073425  -0.447718  -0.076589
+    0SOL     H2    2  -0.102815  -0.530786  -0.039195
+    0SOL     H3    3   0.012362  -0.467362  -0.114232
+    1SOL     O4    4   0.072706   0.455985   0.070847
+    1SOL     H5    5   0.076576   0.493763   0.158712
+    1SOL     H6    6   0.022564   0.375170   0.081658
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.391832  -0.314853  -0.133245
+    0SOL     H2    2  -0.394431  -0.224597  -0.165018
+    0SOL     H3    3  -0.330232  -0.359090  -0.191648
+    1SOL     O4    4   0.390945   0.317415   0.136343
+    1SOL     H5    5   0.355656   0.246088   0.083151
+    1SOL     H6    6   0.382854   0.286370   0.226527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.224311  -0.352622  -0.307571
+    0SOL     H2    2   0.227354  -0.311735  -0.394066
+    0SOL     H3    3   0.306536  -0.326809  -0.265918
+    1SOL     O4    4  -0.224558   0.353536   0.310702
+    1SOL     H5    5  -0.307726   0.362207   0.264117
+    1SOL     H6    6  -0.223485   0.262815   0.341213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.360082   0.402883   0.027203
+    0SOL     H2    2   0.416891   0.469933  -0.010736
+    0SOL     H3    3   0.404013   0.320183   0.007375
+    1SOL     O4    4  -0.370192  -0.397725  -0.024905
+    1SOL     H5    5  -0.375739  -0.459700   0.047831
+    1SOL     H6    6  -0.288644  -0.420411  -0.069599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.332069   0.406871  -0.394781
+    0SOL     H2    2  -0.270390   0.476449  -0.417516
+    0SOL     H3    3  -0.329126   0.346891  -0.469320
+    1SOL     O4    4   0.327818  -0.409259   0.394188
+    1SOL     H5    5   0.367848  -0.329702   0.429268
+    1SOL     H6    6   0.295050  -0.455627   0.471250
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102661  -0.168916  -0.776457
+    0SOL     H2    2  -0.165604  -0.239079  -0.793118
+    0SOL     H3    3  -0.084497  -0.174745  -0.682657
+    1SOL     O4    4   0.100796   0.178225   0.768261
+    1SOL     H5    5   0.103093   0.083590   0.754074
+    1SOL     H6    6   0.166790   0.193979   0.835781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.919929   0.011485   0.507403
+    0SOL     H2    2   0.970309  -0.039802   0.444205
+    0SOL     H3    3   0.832991  -0.028563   0.506948
+    1SOL     O4    4  -0.920742  -0.001519  -0.500813
+    1SOL     H5    5  -0.869737  -0.074557  -0.465796
+    1SOL     H6    6  -0.923009  -0.016930  -0.595257
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039984   0.120393  -0.016005
+    0SOL     H2    2  -0.020214   0.028713   0.003133
+    0SOL     H3    3  -0.006723   0.168446   0.059803
+    1SOL     O4    4   0.042252  -0.112234   0.012652
+    1SOL     H5    5  -0.005005  -0.169977   0.072610
+    1SOL     H6    6   0.014975  -0.140698  -0.074572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004206   0.119836  -0.030109
+    0SOL     H2    2   0.040867   0.107641   0.057467
+    0SOL     H3    3  -0.008276   0.214415  -0.037944
+    1SOL     O4    4  -0.001510  -0.128224   0.024373
+    1SOL     H5    5  -0.078324  -0.140603   0.080129
+    1SOL     H6    6  -0.004057  -0.035636   0.000219
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108531   0.069783  -0.032808
+    0SOL     H2    2   0.029884   0.100220   0.012475
+    0SOL     H3    3   0.093342  -0.023634  -0.047126
+    1SOL     O4    4  -0.104304  -0.062006   0.037247
+    1SOL     H5    5  -0.113296  -0.038477  -0.055099
+    1SOL     H6    6  -0.078631  -0.154212   0.036130
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026660  -0.023224   0.129843
+    0SOL     H2    2   0.083616  -0.090353   0.092266
+    0SOL     H3    3  -0.016731   0.016461   0.054315
+    1SOL     O4    4  -0.029349   0.026547  -0.117854
+    1SOL     H5    5  -0.065615   0.052265  -0.202623
+    1SOL     H6    6   0.042939  -0.032329  -0.139544
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000054  -0.117163  -0.045291
+    0SOL     H2    2  -0.007727  -0.104884  -0.139909
+    0SOL     H3    3  -0.079283  -0.164963  -0.020791
+    1SOL     O4    4   0.008738   0.119803   0.056066
+    1SOL     H5    5  -0.033088   0.190053   0.006288
+    1SOL     H6    6  -0.009311   0.040543   0.005524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004209  -0.082729  -0.103215
+    0SOL     H2    2  -0.026354  -0.016879  -0.040830
+    0SOL     H3    3  -0.034788  -0.056664  -0.186655
+    1SOL     O4    4  -0.002842   0.081373   0.098919
+    1SOL     H5    5   0.086538   0.049006   0.110138
+    1SOL     H6    6  -0.050263   0.047755   0.174968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076049   0.033697  -0.099243
+    0SOL     H2    2   0.072960  -0.037166  -0.163517
+    0SOL     H3    3   0.150873   0.012302  -0.043511
+    1SOL     O4    4  -0.081950  -0.024581   0.105243
+    1SOL     H5    5  -0.043825  -0.001019   0.020664
+    1SOL     H6    6  -0.090566  -0.119856   0.101978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026496   0.108159   0.078097
+    0SOL     H2    2   0.116539   0.109691   0.110536
+    0SOL     H3    3   0.026693   0.040981   0.009910
+    1SOL     O4    4  -0.033120  -0.102659  -0.070785
+    1SOL     H5    5   0.033626  -0.169700  -0.085372
+    1SOL     H6    6  -0.062486  -0.078517  -0.158633
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088915  -0.094432  -0.046013
+    0SOL     H2    2  -0.042043  -0.023153  -0.002600
+    0SOL     H3    3  -0.143142  -0.050928  -0.111809
+    1SOL     O4    4   0.082468   0.088903   0.048082
+    1SOL     H5    5   0.120082   0.041396  -0.026017
+    1SOL     H6    6   0.158049   0.115119   0.100642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013638   0.060724  -0.114731
+    0SOL     H2    2   0.001752   0.145861  -0.073778
+    0SOL     H3    3   0.046451   0.058707  -0.189213
+    1SOL     O4    4   0.013101  -0.063831   0.122723
+    1SOL     H5    5  -0.035967  -0.144238   0.105711
+    1SOL     H6    6   0.000995  -0.011159   0.043720
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039028  -0.130210   0.022797
+    0SOL     H2    2   0.039463  -0.184619   0.016382
+    0SOL     H3    3  -0.007903  -0.041169   0.006510
+    1SOL     O4    4   0.038484   0.123610  -0.020913
+    1SOL     H5    5  -0.000934   0.177922   0.047342
+    1SOL     H6    6  -0.017904   0.136283  -0.097216
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034969   0.119105  -0.052901
+    0SOL     H2    2  -0.008259   0.093371  -0.134335
+    0SOL     H3    3   0.124390   0.086116  -0.061735
+    1SOL     O4    4  -0.044406  -0.118489   0.056393
+    1SOL     H5    5  -0.006808  -0.035071   0.028284
+    1SOL     H6    6   0.020759  -0.155288   0.116072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108905   0.083374   0.017545
+    0SOL     H2    2  -0.021697   0.045747   0.029432
+    0SOL     H3    3  -0.093977   0.162832  -0.033698
+    1SOL     O4    4   0.098508  -0.084166  -0.011834
+    1SOL     H5    5   0.099923  -0.103193  -0.105633
+    1SOL     H6    6   0.188457  -0.099450   0.017114
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042791  -0.123970  -0.031364
+    0SOL     H2    2   0.013222  -0.183991  -0.080581
+    0SOL     H3    3  -0.056327  -0.167393   0.052860
+    1SOL     O4    4   0.042252   0.134497   0.025638
+    1SOL     H5    5   0.011206   0.047753  -0.000321
+    1SOL     H6    6   0.035351   0.134879   0.121108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060859  -0.006990   0.117984
+    0SOL     H2    2   0.156578  -0.007387   0.117698
+    0SOL     H3    3   0.037226   0.016438   0.207733
+    1SOL     O4    4  -0.071000   0.002574  -0.124623
+    1SOL     H5    5  -0.021505   0.067294  -0.174863
+    1SOL     H6    6  -0.017424  -0.013613  -0.046971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120534  -0.076396  -0.022400
+    0SOL     H2    2   0.052627  -0.013736   0.002593
+    0SOL     H3    3   0.095088  -0.105738  -0.109886
+    1SOL     O4    4  -0.110226   0.070901   0.022529
+    1SOL     H5    5  -0.203410   0.049108   0.020482
+    1SOL     H6    6  -0.105400   0.150735   0.075117
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067969   0.011073   0.124517
+    0SOL     H2    2  -0.058756   0.005385   0.029411
+    0SOL     H3    3  -0.152841   0.053254   0.137927
+    1SOL     O4    4   0.072181  -0.010878  -0.113239
+    1SOL     H5    5   0.124148   0.028988  -0.183041
+    1SOL     H6    6   0.025217  -0.082403  -0.156144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033059   0.132653   0.029203
+    0SOL     H2    2   0.000013   0.141396  -0.060206
+    0SOL     H3    3  -0.031211   0.178707   0.083154
+    1SOL     O4    4  -0.024349  -0.141060  -0.030302
+    1SOL     H5    5   0.015639  -0.060923   0.003483
+    1SOL     H6    6  -0.117740  -0.130853  -0.011968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071708  -0.124774  -0.031344
+    0SOL     H2    2  -0.085495  -0.139474   0.062230
+    0SOL     H3    3  -0.043209  -0.033594  -0.037370
+    1SOL     O4    4   0.066463   0.119568   0.020736
+    1SOL     H5    5   0.055701   0.155061   0.108978
+    1SOL     H6    6   0.157078   0.088838   0.018116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.114489   0.060984  -0.069050
+    0SOL     H2    2   0.111735  -0.032149  -0.047123
+    0SOL     H3    3   0.027264   0.080113  -0.103520
+    1SOL     O4    4  -0.112820  -0.063591   0.070827
+    1SOL     H5    5  -0.118116  -0.004197  -0.004050
+    1SOL     H6    6  -0.056055  -0.018452   0.133297
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072911  -0.059330   0.113444
+    0SOL     H2    2  -0.036444  -0.023756   0.032407
+    0SOL     H3    3  -0.028148  -0.143124   0.125150
+    1SOL     O4    4   0.062143   0.060630  -0.106210
+    1SOL     H5    5   0.090065   0.146780  -0.137207
+    1SOL     H6    6   0.135961   0.002960  -0.125888
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122249   0.073557   0.033943
+    0SOL     H2    2   0.187223   0.016589   0.075117
+    0SOL     H3    3   0.041079   0.022871   0.036112
+    1SOL     O4    4  -0.117042  -0.064868  -0.032253
+    1SOL     H5    5  -0.165793  -0.146796  -0.023682
+    1SOL     H6    6  -0.143411  -0.030049  -0.117426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028692   0.143747  -0.020591
+    0SOL     H2    2  -0.015602   0.049050  -0.025416
+    0SOL     H3    3  -0.036990   0.162089   0.072988
+    1SOL     O4    4   0.029085  -0.134120   0.018808
+    1SOL     H5    5  -0.026046  -0.210908   0.033856
+    1SOL     H6    6   0.076463  -0.154045  -0.061942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090290   0.110191  -0.050897
+    0SOL     H2    2   0.078642   0.030845   0.001361
+    0SOL     H3    3   0.002435   0.131176  -0.082574
+    1SOL     O4    4  -0.079010  -0.103082   0.045483
+    1SOL     H5    5  -0.169628  -0.077013   0.061951
+    1SOL     H6    6  -0.067977  -0.184193   0.095098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133202  -0.008012  -0.056422
+    0SOL     H2    2   0.130653  -0.077724   0.009122
+    0SOL     H3    3   0.118623  -0.052849  -0.139725
+    1SOL     O4    4  -0.134781   0.018051   0.062513
+    1SOL     H5    5  -0.043122  -0.002350   0.043948
+    1SOL     H6    6  -0.182226  -0.011958  -0.015016
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035439  -0.070341  -0.127433
+    0SOL     H2    2  -0.048433  -0.101884  -0.161093
+    0SOL     H3    3   0.015718  -0.039430  -0.039014
+    1SOL     O4    4  -0.035629   0.068390   0.121278
+    1SOL     H5    5   0.006564   0.154272   0.123810
+    1SOL     H6    6   0.026196   0.009973   0.165182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109584  -0.039824  -0.095521
+    0SOL     H2    2   0.032038  -0.006762  -0.050178
+    0SOL     H3    3   0.108008  -0.134267  -0.080013
+    1SOL     O4    4  -0.099629   0.041849   0.087614
+    1SOL     H5    5  -0.123260  -0.002089   0.169305
+    1SOL     H6    6  -0.165209   0.110857   0.077639
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122620  -0.051923  -0.069217
+    0SOL     H2    2  -0.043622  -0.011147  -0.033737
+    0SOL     H3    3  -0.166497   0.018401  -0.117089
+    1SOL     O4    4   0.121847   0.047016   0.063521
+    1SOL     H5    5   0.064920   0.092763   0.125399
+    1SOL     H6    6   0.150649  -0.031143   0.110679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105001   0.055007   0.082675
+    0SOL     H2    2   0.148848   0.090053   0.005141
+    0SOL     H3    3   0.071924   0.132254   0.128513
+    1SOL     O4    4  -0.106712  -0.066951  -0.085562
+    1SOL     H5    5  -0.034200  -0.053976  -0.024438
+    1SOL     H6    6  -0.163980   0.008391  -0.071199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.096706   0.051534   0.087933
+    0SOL     H2    2   0.161210  -0.010102   0.122610
+    0SOL     H3    3   0.107655   0.130265   0.141261
+    1SOL     O4    4  -0.106311  -0.055962  -0.091435
+    1SOL     H5    5  -0.093414  -0.005772  -0.171915
+    1SOL     H6    6  -0.026782  -0.040451  -0.040475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092193   0.095416  -0.057031
+    0SOL     H2    2   0.130812   0.012781  -0.086055
+    0SOL     H3    3   0.167198   0.149885  -0.033164
+    1SOL     O4    4  -0.097898  -0.099468   0.061586
+    1SOL     H5    5  -0.031707  -0.037928   0.030058
+    1SOL     H6    6  -0.179739  -0.068748   0.022591
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029863  -0.022798   0.146591
+    0SOL     H2    2  -0.033359   0.009087   0.056405
+    0SOL     H3    3  -0.112500  -0.069552   0.158736
+    1SOL     O4    4   0.032050   0.020369  -0.136914
+    1SOL     H5    5   0.056811   0.112437  -0.145442
+    1SOL     H6    6   0.047676  -0.016824  -0.223718
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061283  -0.072149  -0.106828
+    0SOL     H2    2  -0.082826  -0.150319  -0.157698
+    0SOL     H3    3  -0.074646   0.000520  -0.167680
+    1SOL     O4    4   0.064433   0.078956   0.114496
+    1SOL     H5    5   0.092411  -0.000392   0.160141
+    1SOL     H6    6   0.014053   0.047067   0.039615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014694   0.005670   0.153511
+    0SOL     H2    2  -0.063336   0.087399   0.142710
+    0SOL     H3    3  -0.026038  -0.040191   0.070261
+    1SOL     O4    4   0.013835  -0.012949  -0.145458
+    1SOL     H5    5   0.105430   0.000991  -0.121412
+    1SOL     H6    6  -0.004522   0.054921  -0.210412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036909   0.128362  -0.081103
+    0SOL     H2    2   0.076873   0.106321   0.003035
+    0SOL     H3    3  -0.041330   0.073403  -0.085641
+    1SOL     O4    4  -0.037897  -0.118109   0.078275
+    1SOL     H5    5  -0.079451  -0.198751   0.047741
+    1SOL     H6    6   0.055987  -0.134990   0.070328
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066973  -0.037519  -0.134446
+    0SOL     H2    2  -0.076951   0.053727  -0.161591
+    0SOL     H3    3  -0.014536  -0.033172  -0.054485
+    1SOL     O4    4   0.064640   0.031550   0.124929
+    1SOL     H5    5   0.021000  -0.031440   0.182288
+    1SOL     H6    6   0.101941   0.096476   0.184558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076872   0.013296  -0.135138
+    0SOL     H2    2   0.018470  -0.024705  -0.069506
+    0SOL     H3    3   0.163973   0.007780  -0.095826
+    1SOL     O4    4  -0.079325  -0.003765   0.127794
+    1SOL     H5    5  -0.011843  -0.042773   0.183354
+    1SOL     H6    6  -0.130599  -0.078258   0.096423
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104097  -0.004096   0.109426
+    0SOL     H2    2  -0.008445  -0.006214   0.106510
+    0SOL     H3    3  -0.126952  -0.056932   0.185900
+    1SOL     O4    4   0.105048   0.005608  -0.108263
+    1SOL     H5    5   0.087081   0.090995  -0.147613
+    1SOL     H6    6   0.047284  -0.054894  -0.154795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024649   0.134032  -0.055698
+    0SOL     H2    2   0.119714   0.143583  -0.061504
+    0SOL     H3    3  -0.005083   0.214853  -0.013909
+    1SOL     O4    4  -0.028908  -0.145438   0.050256
+    1SOL     H5    5  -0.009404  -0.132310   0.143043
+    1SOL     H6    6  -0.035950  -0.056944   0.014458
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148503  -0.015591   0.053569
+    0SOL     H2    2   0.128138   0.073764   0.081195
+    0SOL     H3    3   0.065652  -0.049799   0.019986
+    1SOL     O4    4  -0.140446   0.014491  -0.046809
+    1SOL     H5    5  -0.155477  -0.075859  -0.074618
+    1SOL     H6    6  -0.153523   0.066496  -0.126098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095419   0.066679  -0.094605
+    0SOL     H2    2   0.095349   0.039924  -0.186510
+    0SOL     H3    3   0.052442   0.152208  -0.094476
+    1SOL     O4    4  -0.098517  -0.073394   0.097015
+    1SOL     H5    5  -0.013572  -0.055749   0.056574
+    1SOL     H6    6  -0.096384  -0.024842   0.179480
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088619   0.041813   0.117906
+    0SOL     H2    2   0.074911  -0.036047   0.063941
+    0SOL     H3    3   0.115239   0.007506   0.203210
+    1SOL     O4    4  -0.083148  -0.038039  -0.120541
+    1SOL     H5    5  -0.150118  -0.086179  -0.071961
+    1SOL     H6    6  -0.126240   0.043379  -0.146550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125508   0.002900   0.082404
+    0SOL     H2    2   0.206750  -0.041694   0.058460
+    0SOL     H3    3   0.145367   0.095995   0.072342
+    1SOL     O4    4  -0.129784  -0.005171  -0.073938
+    1SOL     H5    5  -0.116808   0.061784  -0.141101
+    1SOL     H6    6  -0.164359  -0.080619  -0.121629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109329   0.106070  -0.051801
+    0SOL     H2    2   0.164557   0.065545   0.015055
+    0SOL     H3    3   0.025761   0.059872  -0.045130
+    1SOL     O4    4  -0.107611  -0.094541   0.046783
+    1SOL     H5    5  -0.053649  -0.147506   0.105479
+    1SOL     H6    6  -0.163678  -0.157903   0.002015
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045762   0.154387  -0.009109
+    0SOL     H2    2   0.061327   0.150385  -0.103470
+    0SOL     H3    3   0.013231   0.067266   0.013564
+    1SOL     O4    4  -0.039814  -0.145551   0.017085
+    1SOL     H5    5  -0.062628  -0.146484  -0.075871
+    1SOL     H6    6  -0.106181  -0.200605   0.058639
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120589   0.080221  -0.065405
+    0SOL     H2    2  -0.048601   0.019130  -0.049659
+    0SOL     H3    3  -0.103430   0.115542  -0.152699
+    1SOL     O4    4   0.110865  -0.076878   0.069930
+    1SOL     H5    5   0.132399  -0.169429   0.058401
+    1SOL     H6    6   0.195700  -0.032606   0.072237
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075202   0.117509   0.077895
+    0SOL     H2    2  -0.063749   0.070186  -0.004516
+    0SOL     H3    3  -0.156897   0.083209   0.114112
+    1SOL     O4    4   0.078438  -0.112980  -0.080533
+    1SOL     H5    5   0.023606  -0.130188  -0.003985
+    1SOL     H6    6   0.162565  -0.085461  -0.044095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048515  -0.036971  -0.150905
+    0SOL     H2    2   0.020177   0.004846  -0.098991
+    0SOL     H3    3  -0.094310  -0.093690  -0.088872
+    1SOL     O4    4   0.047162   0.042985   0.140721
+    1SOL     H5    5   0.125024   0.007231   0.183400
+    1SOL     H6    6  -0.024509  -0.012830   0.170891
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064258   0.145603  -0.047256
+    0SOL     H2    2  -0.020506   0.071308  -0.005684
+    0SOL     H3    3  -0.057976   0.216213   0.017065
+    1SOL     O4    4   0.063953  -0.138962   0.039744
+    1SOL     H5    5  -0.018597  -0.157165   0.084650
+    1SOL     H6    6   0.100182  -0.225370   0.020164
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040972  -0.157862   0.031258
+    0SOL     H2    2   0.040468  -0.064613   0.009652
+    0SOL     H3    3   0.130281  -0.175106   0.061071
+    1SOL     O4    4  -0.046991   0.147272  -0.028331
+    1SOL     H5    5  -0.018694   0.229826   0.010992
+    1SOL     H6    6  -0.062668   0.168633  -0.120311
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097204   0.095931  -0.091285
+    0SOL     H2    2  -0.030684   0.163171  -0.076580
+    0SOL     H3    3  -0.093827   0.079016  -0.185438
+    1SOL     O4    4   0.094028  -0.104795   0.097704
+    1SOL     H5    5   0.163244  -0.038717   0.099971
+    1SOL     H6    6   0.018835  -0.059486   0.059554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021674  -0.167960  -0.040523
+    0SOL     H2    2   0.025659  -0.153375  -0.135041
+    0SOL     H3    3   0.015531  -0.080147  -0.002927
+    1SOL     O4    4  -0.017993   0.156766   0.043146
+    1SOL     H5    5   0.009050   0.247471   0.028876
+    1SOL     H6    6  -0.110409   0.162800   0.067338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122035   0.033242   0.107761
+    0SOL     H2    2  -0.208548   0.044784   0.147062
+    0SOL     H3    3  -0.060723   0.050401   0.179237
+    1SOL     O4    4   0.127282  -0.032360  -0.109360
+    1SOL     H5    5   0.084521  -0.117962  -0.106877
+    1SOL     H6    6   0.089991   0.010875  -0.186187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010118  -0.003096  -0.175185
+    0SOL     H2    2  -0.065565  -0.061195  -0.182860
+    0SOL     H3    3  -0.008899   0.051101  -0.098612
+    1SOL     O4    4   0.000643   0.007636   0.171259
+    1SOL     H5    5  -0.007905  -0.070812   0.225436
+    1SOL     H6    6  -0.080073   0.010226   0.119873
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038902   0.143808  -0.084230
+    0SOL     H2    2   0.043036   0.137804   0.011212
+    0SOL     H3    3   0.109119   0.204551  -0.107519
+    1SOL     O4    4  -0.042455  -0.140588   0.078682
+    1SOL     H5    5  -0.119079  -0.184479   0.115624
+    1SOL     H6    6   0.023135  -0.209799   0.070313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065529   0.112987  -0.113003
+    0SOL     H2    2   0.026310   0.034930  -0.152134
+    0SOL     H3    3   0.030236   0.185791  -0.164152
+    1SOL     O4    4  -0.065045  -0.109857   0.113912
+    1SOL     H5    5   0.030359  -0.103359   0.118163
+    1SOL     H6    6  -0.088472  -0.167177   0.186905
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.069085  -0.146780  -0.066787
+    0SOL     H2    2  -0.078239  -0.144519   0.028467
+    0SOL     H3    3   0.008976  -0.200007  -0.082137
+    1SOL     O4    4   0.064126   0.150093   0.069024
+    1SOL     H5    5   0.092963   0.071074   0.023344
+    1SOL     H6    6   0.056861   0.216271   0.000249
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081483   0.013031  -0.157982
+    0SOL     H2    2   0.002811   0.010933  -0.103498
+    0SOL     H3    3   0.076109  -0.066505  -0.210967
+    1SOL     O4    4  -0.076975  -0.002148   0.155609
+    1SOL     H5    5   0.002050  -0.051913   0.176605
+    1SOL     H6    6  -0.148806  -0.063443   0.171275
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106291   0.143702  -0.028434
+    0SOL     H2    2  -0.145393   0.122461  -0.113182
+    0SOL     H3    3  -0.127024   0.068530   0.027079
+    1SOL     O4    4   0.106071  -0.143041   0.033654
+    1SOL     H5    5   0.194543  -0.151640  -0.001859
+    1SOL     H6    6   0.082734  -0.051531   0.018042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038863  -0.032526   0.172370
+    0SOL     H2    2  -0.061086   0.010982   0.254684
+    0SOL     H3    3  -0.099256  -0.106617   0.167320
+    1SOL     O4    4   0.039197   0.030187  -0.178444
+    1SOL     H5    5   0.043975   0.070227  -0.091633
+    1SOL     H6    6   0.112701   0.068255  -0.226510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022398  -0.157898  -0.105795
+    0SOL     H2    2  -0.070508  -0.127919  -0.028665
+    0SOL     H3    3  -0.090433  -0.183778  -0.167955
+    1SOL     O4    4   0.025409   0.151893   0.105518
+    1SOL     H5    5   0.027792   0.213011   0.031889
+    1SOL     H6    6   0.093717   0.183127   0.164854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018545   0.007506   0.195606
+    0SOL     H2    2  -0.036463  -0.038870   0.132473
+    0SOL     H3    3   0.107921  -0.006241   0.164217
+    1SOL     O4    4  -0.017506  -0.005246  -0.183942
+    1SOL     H5    5   0.000850   0.063477  -0.247994
+    1SOL     H6    6  -0.087170  -0.057319  -0.223912
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016239   0.094930  -0.162054
+    0SOL     H2    2   0.067394   0.151124  -0.220258
+    0SOL     H3    3  -0.002684   0.017058  -0.214400
+    1SOL     O4    4  -0.013849  -0.097694   0.170110
+    1SOL     H5    5  -0.003715  -0.026172   0.107308
+    1SOL     H6    6  -0.100907  -0.084511   0.207653
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044546   0.137385  -0.127585
+    0SOL     H2    2   0.130877   0.160371  -0.093220
+    0SOL     H3    3   0.044061   0.172435  -0.216656
+    1SOL     O4    4  -0.052694  -0.141550   0.136901
+    1SOL     H5    5  -0.100222  -0.151385   0.054398
+    1SOL     H6    6   0.037573  -0.123590   0.110603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131456  -0.083593  -0.125120
+    0SOL     H2    2   0.059421  -0.022385  -0.140182
+    0SOL     H3    3   0.198485  -0.057809  -0.188403
+    1SOL     O4    4  -0.124864   0.077516   0.125811
+    1SOL     H5    5  -0.166209   0.017681   0.188043
+    1SOL     H6    6  -0.182351   0.154035   0.124276
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124099  -0.044966   0.159089
+    0SOL     H2    2  -0.165641   0.037936   0.182834
+    0SOL     H3    3  -0.038479  -0.042000   0.201783
+    1SOL     O4    4   0.115159   0.038342  -0.163515
+    1SOL     H5    5   0.163703   0.091460  -0.100393
+    1SOL     H6    6   0.181743   0.006953  -0.224700
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082774  -0.072799   0.185842
+    0SOL     H2    2  -0.102223  -0.027612   0.103731
+    0SOL     H3    3  -0.160776  -0.125456   0.203316
+    1SOL     O4    4   0.090789   0.079908  -0.180378
+    1SOL     H5    5   0.130074  -0.002621  -0.151953
+    1SOL     H6    6   0.015270   0.053665  -0.233013
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003350   0.178007  -0.118943
+    0SOL     H2    2  -0.050725   0.106647  -0.161671
+    0SOL     H3    3   0.020216   0.237284  -0.190309
+    1SOL     O4    4   0.006569  -0.182866   0.120828
+    1SOL     H5    5   0.020355  -0.088863   0.109180
+    1SOL     H6    6  -0.041288  -0.190052   0.203413
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054754   0.049538  -0.207116
+    0SOL     H2    2  -0.130352  -0.009165  -0.205985
+    0SOL     H3    3  -0.092167   0.136587  -0.220722
+    1SOL     O4    4   0.056656  -0.052520   0.204047
+    1SOL     H5    5   0.113120   0.024556   0.209829
+    1SOL     H6    6   0.088889  -0.111076   0.272564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108583  -0.051914  -0.196404
+    0SOL     H2    2   0.021767  -0.058006  -0.156552
+    0SOL     H3    3   0.094571  -0.002150  -0.276961
+    1SOL     O4    4  -0.108099   0.052244   0.195504
+    1SOL     H5    5  -0.062919   0.079453   0.275384
+    1SOL     H6    6  -0.062117  -0.026979   0.167725
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009228  -0.199752  -0.112252
+    0SOL     H2    2  -0.052486  -0.129999  -0.161501
+    0SOL     H3    3  -0.079731  -0.260387  -0.089560
+    1SOL     O4    4   0.011370   0.201735   0.118157
+    1SOL     H5    5   0.066844   0.248411   0.055657
+    1SOL     H6    6   0.023343   0.109272   0.096487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.158339  -0.154514  -0.078744
+    0SOL     H2    2   0.174180  -0.247682  -0.063540
+    0SOL     H3    3   0.065413  -0.149307  -0.101102
+    1SOL     O4    4  -0.159774   0.155697   0.076989
+    1SOL     H5    5  -0.070952   0.122006   0.088731
+    1SOL     H6    6  -0.153344   0.248579   0.099213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101415   0.063268  -0.229605
+    0SOL     H2    2   0.170384   0.119301  -0.194025
+    0SOL     H3    3   0.028967   0.072123  -0.167676
+    1SOL     O4    4  -0.094872  -0.065816   0.226658
+    1SOL     H5    5  -0.153495  -0.139725   0.242878
+    1SOL     H6    6  -0.147035  -0.004805   0.174514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039248   0.251068   0.018135
+    0SOL     H2    2   0.102673   0.289612  -0.042313
+    0SOL     H3    3   0.081864   0.255573   0.103726
+    1SOL     O4    4  -0.045307  -0.255974  -0.024965
+    1SOL     H5    5  -0.044168  -0.306193   0.056516
+    1SOL     H6    6  -0.041610  -0.164548   0.003140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128233   0.185854  -0.150900
+    0SOL     H2    2   0.203318   0.204270  -0.207339
+    0SOL     H3    3   0.136743   0.248003  -0.078599
+    1SOL     O4    4  -0.135227  -0.186207   0.155160
+    1SOL     H5    5  -0.160350  -0.276605   0.136203
+    1SOL     H6    6  -0.070022  -0.164916   0.088396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.141579   0.156221  -0.180272
+    0SOL     H2    2   0.139657   0.093988  -0.107570
+    0SOL     H3    3   0.233394   0.182432  -0.187005
+    1SOL     O4    4  -0.150125  -0.150242   0.171580
+    1SOL     H5    5  -0.093709  -0.225550   0.154025
+    1SOL     H6    6  -0.152816  -0.144012   0.267059
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.150517   0.080697   0.217808
+    0SOL     H2    2  -0.233262   0.126508   0.232537
+    0SOL     H3    3  -0.114467   0.121050   0.138851
+    1SOL     O4    4   0.153203  -0.091056  -0.213365
+    1SOL     H5    5   0.219538  -0.039298  -0.259005
+    1SOL     H6    6   0.087488  -0.027070  -0.185983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002921   0.289117   0.012130
+    0SOL     H2    2   0.043851   0.281242  -0.071013
+    0SOL     H3    3  -0.084609   0.241164  -0.001651
+    1SOL     O4    4   0.002589  -0.290166  -0.002288
+    1SOL     H5    5   0.025062  -0.197516   0.006271
+    1SOL     H6    6   0.018370  -0.310267  -0.094533
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.219424  -0.019377  -0.194116
+    0SOL     H2    2   0.128516  -0.038022  -0.217575
+    0SOL     H3    3   0.230567   0.073722  -0.213371
+    1SOL     O4    4  -0.217711   0.020858   0.195558
+    1SOL     H5    5  -0.251489  -0.051018   0.248992
+    1SOL     H6    6  -0.135173  -0.012274   0.160176
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061109  -0.031503  -0.293040
+    0SOL     H2    2  -0.032587  -0.037936  -0.274548
+    0SOL     H3    3   0.101081  -0.099030  -0.238225
+    1SOL     O4    4  -0.053543   0.033428   0.285038
+    1SOL     H5    5  -0.063712   0.015329   0.378480
+    1SOL     H6    6  -0.127041   0.090874   0.263583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091069  -0.191276   0.225738
+    0SOL     H2    2   0.068861  -0.182862   0.133011
+    0SOL     H3    3   0.126340  -0.105617   0.249837
+    1SOL     O4    4  -0.090006   0.180665  -0.224951
+    1SOL     H5    5  -0.139036   0.253452  -0.263166
+    1SOL     H6    6  -0.074290   0.207258  -0.134353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.191965  -0.043530  -0.264144
+    0SOL     H2    2  -0.179993  -0.138128  -0.255769
+    0SOL     H3    3  -0.150615  -0.007085  -0.185885
+    1SOL     O4    4   0.185951   0.047627   0.264166
+    1SOL     H5    5   0.205356   0.101260   0.187295
+    1SOL     H6    6   0.235563  -0.033048   0.250286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.170785   0.049796  -0.290833
+    0SOL     H2    2   0.195745  -0.017663  -0.227677
+    0SOL     H3    3   0.253326   0.091889  -0.314865
+    1SOL     O4    4  -0.177054  -0.056020   0.288716
+    1SOL     H5    5  -0.112732   0.000709   0.331222
+    1SOL     H6    6  -0.238825   0.004392   0.247520
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.164385   0.072060  -0.296400
+    0SOL     H2    2   0.202719   0.007429  -0.237106
+    0SOL     H3    3   0.237206   0.099793  -0.351991
+    1SOL     O4    4  -0.170626  -0.071778   0.302834
+    1SOL     H5    5  -0.121555  -0.002832   0.258104
+    1SOL     H6    6  -0.230346  -0.105810   0.236218
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035255  -0.374931  -0.105163
+    0SOL     H2    2   0.078038  -0.347716  -0.186349
+    0SOL     H3    3   0.052094  -0.303275  -0.043974
+    1SOL     O4    4  -0.038260   0.366185   0.111632
+    1SOL     H5    5  -0.098022   0.354990   0.037703
+    1SOL     H6    6   0.017818   0.439496   0.086272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.251511   0.155438  -0.291009
+    0SOL     H2    2  -0.313715   0.132860  -0.221848
+    0SOL     H3    3  -0.185879   0.209814  -0.247444
+    1SOL     O4    4   0.249932  -0.160570   0.279163
+    1SOL     H5    5   0.211993  -0.172937   0.366168
+    1SOL     H6    6   0.313405  -0.089823   0.290495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084581   0.413713  -0.020498
+    0SOL     H2    2  -0.008212   0.425225  -0.040973
+    0SOL     H3    3   0.088626   0.330451   0.026549
+    1SOL     O4    4  -0.084727  -0.415097   0.018582
+    1SOL     H5    5  -0.050375  -0.352351  -0.045020
+    1SOL     H6    6  -0.044386  -0.389666   0.101577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077898  -0.154937   0.459260
+    0SOL     H2    2  -0.114376  -0.133684   0.545167
+    0SOL     H3    3  -0.056400  -0.248053   0.464684
+    1SOL     O4    4   0.078144   0.166048  -0.463893
+    1SOL     H5    5   0.052201   0.101693  -0.397956
+    1SOL     H6    6   0.112145   0.113692  -0.536454
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.486067   0.293715  -0.220548
+    0SOL     H2    2  -0.509565   0.378042  -0.181830
+    0SOL     H3    3  -0.424589   0.315738  -0.290532
+    1SOL     O4    4   0.487025  -0.300229   0.217039
+    1SOL     H5    5   0.512618  -0.243086   0.289441
+    1SOL     H6    6   0.404325  -0.339245   0.245337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.809253  -0.450992   0.025162
+    0SOL     H2    2  -0.817382  -0.381734  -0.040409
+    0SOL     H3    3  -0.716920  -0.476066   0.022265
+    1SOL     O4    4   0.802793   0.443306  -0.024852
+    1SOL     H5    5   0.746629   0.519159  -0.008905
+    1SOL     H6    6   0.884883   0.464458   0.019601
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013762   0.078267   0.102944
+    0SOL     H2    2   0.001140   0.015890   0.031886
+    0SOL     H3    3  -0.044129   0.157763   0.059119
+    1SOL     O4    4   0.012067  -0.076875  -0.091734
+    1SOL     H5    5   0.000221  -0.047036  -0.181909
+    1SOL     H6    6   0.072514  -0.150771  -0.098653
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101166   0.068983   0.045883
+    0SOL     H2    2  -0.008628   0.045361   0.052293
+    0SOL     H3    3  -0.105663   0.128254  -0.029144
+    1SOL     O4    4   0.099037  -0.067103  -0.045985
+    1SOL     H5    5   0.005140  -0.085692  -0.046432
+    1SOL     H6    6   0.133126  -0.117492   0.027914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074713  -0.022497   0.115263
+    0SOL     H2    2  -0.033801  -0.020685   0.028745
+    0SOL     H3    3  -0.043943   0.057414   0.158038
+    1SOL     O4    4   0.065523   0.021167  -0.109210
+    1SOL     H5    5   0.159573   0.024403  -0.091704
+    1SOL     H6    6   0.056678  -0.041056  -0.181407
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109723   0.049547   0.066415
+    0SOL     H2    2   0.171101  -0.021531   0.084936
+    0SOL     H3    3   0.039319   0.008077   0.016557
+    1SOL     O4    4  -0.104017  -0.043491  -0.062004
+    1SOL     H5    5  -0.130921  -0.112312  -0.122851
+    1SOL     H6    6  -0.178985   0.015908  -0.058288
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026855  -0.123428  -0.021769
+    0SOL     H2    2  -0.110967  -0.163740  -0.043274
+    0SOL     H3    3   0.038137  -0.189919  -0.044512
+    1SOL     O4    4   0.023175   0.134610   0.025357
+    1SOL     H5    5   0.010976   0.039676   0.026388
+    1SOL     H6    6   0.115901   0.146670   0.004895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102114  -0.021694  -0.095099
+    0SOL     H2    2  -0.161255   0.042540  -0.055873
+    0SOL     H3    3  -0.020265  -0.011793  -0.046469
+    1SOL     O4    4   0.095648   0.020271   0.087060
+    1SOL     H5    5   0.119499  -0.071453   0.073638
+    1SOL     H6    6   0.163258   0.054324   0.145639
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034551   0.133548   0.019197
+    0SOL     H2    2   0.031642   0.202579   0.015266
+    0SOL     H3    3   0.015622   0.052794   0.030328
+    1SOL     O4    4   0.026798  -0.133202  -0.025762
+    1SOL     H5    5  -0.041000  -0.140746   0.041386
+    1SOL     H6    6   0.107030  -0.114826   0.023101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080070  -0.103924  -0.009318
+    0SOL     H2    2   0.057640  -0.173339   0.052656
+    0SOL     H3    3   0.174843  -0.111415  -0.020473
+    1SOL     O4    4  -0.082980   0.114084   0.002595
+    1SOL     H5    5  -0.163482   0.092881   0.049841
+    1SOL     H6    6  -0.024864   0.039985   0.019746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078656  -0.108125  -0.015948
+    0SOL     H2    2  -0.094848  -0.181080  -0.075763
+    0SOL     H3    3  -0.014207  -0.141922   0.046232
+    1SOL     O4    4   0.081966   0.113075   0.013292
+    1SOL     H5    5   0.003261   0.058849   0.008058
+    1SOL     H6    6   0.056366   0.187313   0.068024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017403   0.130284  -0.046220
+    0SOL     H2    2  -0.024542   0.212178  -0.019830
+    0SOL     H3    3  -0.011540   0.066413   0.018934
+    1SOL     O4    4  -0.017815  -0.128516   0.039873
+    1SOL     H5    5  -0.005000  -0.218445   0.009693
+    1SOL     H6    6   0.065234  -0.105029   0.081268
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126889   0.041107  -0.013283
+    0SOL     H2    2  -0.148747   0.132330   0.005769
+    0SOL     H3    3  -0.140681   0.032318  -0.107595
+    1SOL     O4    4   0.128121  -0.051706   0.019375
+    1SOL     H5    5   0.069246   0.023675   0.023107
+    1SOL     H6    6   0.211256  -0.015718  -0.011541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024502   0.081630   0.112854
+    0SOL     H2    2   0.013583   0.167146   0.132828
+    0SOL     H3    3   0.035034   0.043296   0.048447
+    1SOL     O4    4   0.023614  -0.085182  -0.104591
+    1SOL     H5    5  -0.051567  -0.137844  -0.131739
+    1SOL     H6    6   0.029099  -0.015616  -0.170111
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041594   0.128406  -0.008951
+    0SOL     H2    2   0.088759   0.113930  -0.090977
+    0SOL     H3    3   0.025573   0.222752  -0.006808
+    1SOL     O4    4  -0.048472  -0.136534   0.012788
+    1SOL     H5    5   0.027482  -0.138164  -0.045442
+    1SOL     H6    6  -0.027246  -0.069813   0.078057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033287  -0.108990  -0.081001
+    0SOL     H2    2  -0.049382  -0.193193  -0.123581
+    0SOL     H3    3  -0.032058  -0.129247   0.012543
+    1SOL     O4    4   0.040837   0.113432   0.077880
+    1SOL     H5    5   0.003259   0.182479   0.132494
+    1SOL     H6    6  -0.032019   0.083558   0.023457
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132128  -0.031020   0.059166
+    0SOL     H2    2  -0.134086  -0.058496  -0.032505
+    0SOL     H3    3  -0.059222  -0.079918   0.097323
+    1SOL     O4    4   0.123689   0.035536  -0.061417
+    1SOL     H5    5   0.213502   0.002694  -0.057255
+    1SOL     H6    6   0.105934   0.068111   0.026821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123083   0.063328   0.034723
+    0SOL     H2    2   0.215888   0.040526   0.040171
+    0SOL     H3    3   0.116150   0.146887   0.080898
+    1SOL     O4    4  -0.133786  -0.064591  -0.041398
+    1SOL     H5    5  -0.115646  -0.048806   0.051252
+    1SOL     H6    6  -0.054714  -0.107258  -0.074404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080292   0.019649   0.119473
+    0SOL     H2    2  -0.069259  -0.075294   0.114329
+    0SOL     H3    3  -0.078483   0.038976   0.213203
+    1SOL     O4    4   0.085708  -0.014613  -0.123167
+    1SOL     H5    5   0.052491  -0.044142  -0.207943
+    1SOL     H6    6   0.007140   0.004606  -0.071980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096535  -0.007519  -0.108566
+    0SOL     H2    2  -0.161529  -0.054464  -0.056277
+    0SOL     H3    3  -0.102952  -0.046709  -0.195660
+    1SOL     O4    4   0.095366   0.009084   0.114471
+    1SOL     H5    5   0.076316   0.017078   0.021008
+    1SOL     H6    6   0.186002   0.038631   0.123102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055604   0.010262  -0.135178
+    0SOL     H2    2  -0.033707   0.021393  -0.167765
+    0SOL     H3    3   0.090669  -0.063008  -0.185816
+    1SOL     O4    4  -0.049599  -0.001859   0.136695
+    1SOL     H5    5  -0.067689  -0.004633   0.230649
+    1SOL     H6    6  -0.086882  -0.083187   0.102666
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092374   0.120728  -0.013262
+    0SOL     H2    2  -0.034458   0.044648  -0.017734
+    0SOL     H3    3  -0.178330   0.086969  -0.038446
+    1SOL     O4    4   0.096359  -0.108918   0.014167
+    1SOL     H5    5   0.067412  -0.164614  -0.058098
+    1SOL     H6    6   0.085562  -0.163302   0.092194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038426  -0.138296  -0.012157
+    0SOL     H2    2  -0.045377  -0.183831  -0.020274
+    0SOL     H3    3   0.097161  -0.202929   0.027023
+    1SOL     O4    4  -0.039818   0.147618   0.004700
+    1SOL     H5    5  -0.038008   0.055784   0.031637
+    1SOL     H6    6   0.010192   0.193431   0.072246
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001434  -0.127582   0.082157
+    0SOL     H2    2  -0.081953  -0.174432   0.060154
+    0SOL     H3    3   0.043558  -0.116538  -0.001605
+    1SOL     O4    4   0.000793   0.133287  -0.079847
+    1SOL     H5    5   0.068174   0.067376  -0.096513
+    1SOL     H6    6  -0.009685   0.133370   0.015298
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035106  -0.148362   0.023432
+    0SOL     H2    2   0.024127  -0.053300   0.021188
+    0SOL     H3    3   0.127271  -0.162394   0.001727
+    1SOL     O4    4  -0.035405   0.137915  -0.020842
+    1SOL     H5    5  -0.125305   0.148822   0.010164
+    1SOL     H6    6  -0.017322   0.217688  -0.070559
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093850   0.074022   0.085893
+    0SOL     H2    2  -0.152931   0.114853   0.149175
+    0SOL     H3    3  -0.044432   0.147035   0.048620
+    1SOL     O4    4   0.091522  -0.084430  -0.090485
+    1SOL     H5    5   0.127175  -0.000869  -0.120631
+    1SOL     H6    6   0.106590  -0.084248   0.004042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022713  -0.077790  -0.132021
+    0SOL     H2    2   0.023256  -0.057836  -0.038406
+    0SOL     H3    3   0.079435  -0.154420  -0.140555
+    1SOL     O4    4  -0.026512   0.081130   0.120318
+    1SOL     H5    5   0.042461   0.117476   0.175852
+    1SOL     H6    6  -0.089607   0.043710   0.181808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119792  -0.012190   0.090126
+    0SOL     H2    2  -0.174609  -0.083018   0.123904
+    0SOL     H3    3  -0.045397  -0.008661   0.150253
+    1SOL     O4    4   0.124128   0.016822  -0.091661
+    1SOL     H5    5   0.119403  -0.034581  -0.172270
+    1SOL     H6    6   0.035252   0.050104  -0.079178
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087901  -0.021693  -0.132683
+    0SOL     H2    2  -0.103659  -0.009877  -0.039011
+    0SOL     H3    3  -0.003456  -0.066521  -0.137346
+    1SOL     O4    4   0.080610   0.018035   0.124198
+    1SOL     H5    5   0.172007   0.044126   0.135519
+    1SOL     H6    6   0.030171   0.091666   0.158792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006594  -0.069949   0.144782
+    0SOL     H2    2   0.016378  -0.123611   0.066124
+    0SOL     H3    3  -0.061955  -0.006968   0.122493
+    1SOL     O4    4  -0.006408   0.065743  -0.135435
+    1SOL     H5    5   0.078416   0.109317  -0.127161
+    1SOL     H6    6  -0.036469   0.088262  -0.223478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131662  -0.087448   0.018971
+    0SOL     H2    2   0.103455  -0.171167   0.055818
+    0SOL     H3    3   0.065384  -0.024844   0.048131
+    1SOL     O4    4  -0.122145   0.084610  -0.023921
+    1SOL     H5    5  -0.114780   0.165414   0.026861
+    1SOL     H6    6  -0.215027   0.078702  -0.046286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110980   0.045328  -0.099601
+    0SOL     H2    2   0.038123   0.094855  -0.062167
+    0SOL     H3    3   0.110944   0.068995  -0.192349
+    1SOL     O4    4  -0.109265  -0.047412   0.097694
+    1SOL     H5    5  -0.118755  -0.009787   0.185197
+    1SOL     H6    6  -0.054925  -0.125123   0.110750
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.145618  -0.065030   0.005912
+    0SOL     H2    2   0.196757  -0.051901   0.085754
+    0SOL     H3    3   0.059401  -0.028857   0.026415
+    1SOL     O4    4  -0.144020   0.055378  -0.011345
+    1SOL     H5    5  -0.135932   0.111363  -0.088563
+    1SOL     H6    6  -0.144565   0.116279   0.062501
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044403  -0.025714  -0.151522
+    0SOL     H2    2   0.077951  -0.059356  -0.068426
+    0SOL     H3    3  -0.018786  -0.091590  -0.180327
+    1SOL     O4    4  -0.043449   0.025372   0.151803
+    1SOL     H5    5  -0.030061   0.113102   0.187670
+    1SOL     H6    6  -0.044742   0.038163   0.056950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012120  -0.130477  -0.103510
+    0SOL     H2    2  -0.093530  -0.083218  -0.120870
+    0SOL     H3    3   0.042483  -0.067658  -0.056237
+    1SOL     O4    4   0.011794   0.119049   0.104717
+    1SOL     H5    5   0.099367   0.157330   0.099446
+    1SOL     H6    6  -0.043222   0.177757   0.052862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016637  -0.067578   0.145369
+    0SOL     H2    2   0.006038  -0.089830   0.052876
+    0SOL     H3    3  -0.007885  -0.147370   0.192212
+    1SOL     O4    4  -0.017203   0.066754  -0.142561
+    1SOL     H5    5   0.072923   0.093246  -0.124183
+    1SOL     H6    6  -0.060607   0.147271  -0.170765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.155058   0.023456  -0.000916
+    0SOL     H2    2  -0.212935  -0.029851  -0.055422
+    0SOL     H3    3  -0.181948   0.113639  -0.018418
+    1SOL     O4    4   0.164390  -0.021278   0.005662
+    1SOL     H5    5   0.131640  -0.082873   0.071205
+    1SOL     H6    6   0.110707  -0.037896  -0.071826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.105613  -0.081225  -0.084677
+    0SOL     H2    2  -0.154188  -0.069988  -0.166387
+    0SOL     H3    3  -0.032733  -0.138807  -0.107808
+    1SOL     O4    4   0.101102   0.081104   0.096604
+    1SOL     H5    5   0.064341   0.128118   0.021767
+    1SOL     H6    6   0.195140   0.077818   0.079042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071455  -0.139089   0.009677
+    0SOL     H2    2   0.081642  -0.200452   0.082431
+    0SOL     H3    3   0.059809  -0.194818  -0.067270
+    1SOL     O4    4  -0.073877   0.150487  -0.014129
+    1SOL     H5    5  -0.121158   0.115068   0.061186
+    1SOL     H6    6   0.011262   0.106807  -0.011724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102399   0.095966   0.076587
+    0SOL     H2    2   0.093681   0.187080   0.104597
+    0SOL     H3    3   0.066299   0.045001   0.149124
+    1SOL     O4    4  -0.100550  -0.094641  -0.088812
+    1SOL     H5    5  -0.018064  -0.105253  -0.041422
+    1SOL     H6    6  -0.165024  -0.141121  -0.035472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035513  -0.136760  -0.073141
+    0SOL     H2    2  -0.001509  -0.189555  -0.143883
+    0SOL     H3    3   0.025591  -0.191069   0.005054
+    1SOL     O4    4  -0.036559   0.147980   0.071566
+    1SOL     H5    5  -0.047097   0.070463   0.126725
+    1SOL     H6    6   0.050315   0.138086   0.032613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.087148  -0.046295   0.140403
+    0SOL     H2    2   0.093037  -0.024102   0.047478
+    0SOL     H3    3   0.014570  -0.108480   0.145672
+    1SOL     O4    4  -0.079291   0.044373  -0.139123
+    1SOL     H5    5  -0.064902   0.135208  -0.112584
+    1SOL     H6    6  -0.160398   0.019054  -0.095044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068751  -0.059485  -0.144348
+    0SOL     H2    2  -0.015663  -0.060323  -0.099227
+    0SOL     H3    3   0.069162  -0.140080  -0.195987
+    1SOL     O4    4  -0.057764   0.060842   0.144576
+    1SOL     H5    5  -0.078863   0.142019   0.190700
+    1SOL     H6    6  -0.140177   0.034324   0.103745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033057   0.102775   0.139283
+    0SOL     H2    2  -0.105378   0.143294   0.091427
+    0SOL     H3    3   0.025981   0.070851   0.071035
+    1SOL     O4    4   0.032035  -0.109429  -0.131721
+    1SOL     H5    5   0.116298  -0.066951  -0.115668
+    1SOL     H6    6  -0.023430  -0.040022  -0.167337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024505  -0.159064  -0.040143
+    0SOL     H2    2   0.023262  -0.152139  -0.122803
+    0SOL     H3    3  -0.054801  -0.249824  -0.037464
+    1SOL     O4    4   0.022166   0.167900   0.049194
+    1SOL     H5    5   0.085596   0.096270   0.052071
+    1SOL     H6    6  -0.012748   0.165474  -0.039898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094929  -0.145589  -0.003796
+    0SOL     H2    2  -0.165027  -0.145904   0.061385
+    0SOL     H3    3  -0.098120  -0.057901  -0.042046
+    1SOL     O4    4   0.094566   0.141146  -0.002730
+    1SOL     H5    5   0.163140   0.203917   0.020064
+    1SOL     H6    6   0.106894   0.068777   0.058695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045437   0.118992   0.120134
+    0SOL     H2    2   0.021238   0.036717   0.077618
+    0SOL     H3    3   0.088102   0.092290   0.201553
+    1SOL     O4    4  -0.045761  -0.106563  -0.118209
+    1SOL     H5    5   0.007755  -0.185920  -0.119154
+    1SOL     H6    6  -0.112981  -0.122157  -0.184545
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076314  -0.127874  -0.082847
+    0SOL     H2    2   0.134214  -0.076464  -0.139123
+    0SOL     H3    3   0.055705  -0.205822  -0.134438
+    1SOL     O4    4  -0.082373   0.134541   0.089035
+    1SOL     H5    5  -0.049831   0.086371   0.012989
+    1SOL     H6    6  -0.046975   0.087244   0.164350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.166745   0.031464   0.040316
+    0SOL     H2    2   0.247676   0.051401  -0.006748
+    0SOL     H3    3   0.113530   0.110492   0.031093
+    1SOL     O4    4  -0.170296  -0.039634  -0.042801
+    1SOL     H5    5  -0.111656   0.033142  -0.022128
+    1SOL     H6    6  -0.201651  -0.070121   0.042345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133384   0.083628  -0.076884
+    0SOL     H2    2  -0.216225   0.051063  -0.041681
+    0SOL     H3    3  -0.110000   0.156639  -0.019569
+    1SOL     O4    4   0.136856  -0.081076   0.076919
+    1SOL     H5    5   0.084058  -0.084156  -0.002864
+    1SOL     H6    6   0.195019  -0.156796   0.070144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077085  -0.045918  -0.166031
+    0SOL     H2    2  -0.003812   0.011470  -0.188390
+    0SOL     H3    3  -0.045014  -0.098288  -0.092607
+    1SOL     O4    4   0.068943   0.050178   0.159353
+    1SOL     H5    5   0.094267  -0.039715   0.138370
+    1SOL     H6    6   0.082529   0.057509   0.253820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083036  -0.089922  -0.133017
+    0SOL     H2    2   0.130856  -0.167528  -0.162220
+    0SOL     H3    3   0.146828  -0.040322  -0.081708
+    1SOL     O4    4  -0.087389   0.085856   0.133651
+    1SOL     H5    5  -0.141317   0.108499   0.057879
+    1SOL     H6    6  -0.067287   0.169919   0.174781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047131   0.087777  -0.158097
+    0SOL     H2    2   0.050220   0.038253  -0.239951
+    0SOL     H3    3  -0.004864   0.033284  -0.099026
+    1SOL     O4    4  -0.038416  -0.080543   0.157789
+    1SOL     H5    5  -0.082705  -0.165390   0.159113
+    1SOL     H6    6  -0.103771  -0.018840   0.190708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148624  -0.075502  -0.087355
+    0SOL     H2    2   0.237539  -0.093433  -0.056778
+    0SOL     H3    3   0.114957  -0.010027  -0.026184
+    1SOL     O4    4  -0.152536   0.073592   0.075872
+    1SOL     H5    5  -0.215569   0.045672   0.142277
+    1SOL     H6    6  -0.071149   0.087381   0.124331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115172   0.079023   0.129884
+    0SOL     H2    2  -0.033947   0.087196   0.179863
+    0SOL     H3    3  -0.122407  -0.014532   0.110978
+    1SOL     O4    4   0.115925  -0.070281  -0.133182
+    1SOL     H5    5   0.078125  -0.084821  -0.046452
+    1SOL     H6    6   0.069370  -0.131455  -0.190215
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117141   0.151703   0.025828
+    0SOL     H2    2   0.056167   0.194093   0.086223
+    0SOL     H3    3   0.065981   0.137362  -0.053792
+    1SOL     O4    4  -0.108557  -0.147717  -0.027641
+    1SOL     H5    5  -0.060353  -0.208787   0.028118
+    1SOL     H6    6  -0.196377  -0.185254  -0.034031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.184603   0.050872   0.005058
+    0SOL     H2    2  -0.243384   0.109091  -0.043083
+    0SOL     H3    3  -0.213290  -0.037277  -0.018800
+    1SOL     O4    4   0.192580  -0.045044   0.003664
+    1SOL     H5    5   0.168528  -0.137239   0.012821
+    1SOL     H6    6   0.167131  -0.022373  -0.085783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001775  -0.013401   0.207715
+    0SOL     H2    2   0.063869  -0.017266   0.134970
+    0SOL     H3    3  -0.059292  -0.085186   0.190981
+    1SOL     O4    4   0.000613   0.019018  -0.209081
+    1SOL     H5    5  -0.084798  -0.019002  -0.188543
+    1SOL     H6    6   0.042735   0.030806  -0.123939
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.167321  -0.013466  -0.114624
+    0SOL     H2    2   0.184802  -0.097149  -0.157680
+    0SOL     H3    3   0.106396   0.031417  -0.173241
+    1SOL     O4    4  -0.160388   0.019229   0.115766
+    1SOL     H5    5  -0.222394  -0.051012   0.096171
+    1SOL     H6    6  -0.166503   0.030881   0.210577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039666   0.168129  -0.110662
+    0SOL     H2    2  -0.008254   0.094059  -0.147804
+    0SOL     H3    3  -0.018585   0.243061  -0.123093
+    1SOL     O4    4  -0.030486  -0.164098   0.116515
+    1SOL     H5    5  -0.044570  -0.169877   0.022014
+    1SOL     H6    6  -0.069649  -0.244104   0.151553
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051102   0.186430   0.084514
+    0SOL     H2    2  -0.032217   0.229067   0.064454
+    0SOL     H3    3   0.033828   0.093071   0.072345
+    1SOL     O4    4  -0.041953  -0.183742  -0.076878
+    1SOL     H5    5  -0.079574  -0.105068  -0.116342
+    1SOL     H6    6  -0.060915  -0.253487  -0.139635
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048000  -0.130913   0.156263
+    0SOL     H2    2  -0.133437  -0.169214   0.136364
+    0SOL     H3    3   0.004766  -0.148122   0.078276
+    1SOL     O4    4   0.043686   0.130058  -0.148900
+    1SOL     H5    5   0.053019   0.198207  -0.215465
+    1SOL     H6    6   0.128272   0.128504  -0.104122
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030170   0.195029   0.061576
+    0SOL     H2    2   0.037106   0.232709   0.149293
+    0SOL     H3    3  -0.063980   0.187083   0.046246
+    1SOL     O4    4  -0.023471  -0.202194  -0.063545
+    1SOL     H5    5   0.021746  -0.118392  -0.073286
+    1SOL     H6    6  -0.111963  -0.185638  -0.096061
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.147352   0.171988  -0.062483
+    0SOL     H2    2  -0.071324   0.211142  -0.105485
+    0SOL     H3    3  -0.126093   0.078866  -0.056266
+    1SOL     O4    4   0.146767  -0.165636   0.060681
+    1SOL     H5    5   0.138825  -0.170462   0.155949
+    1SOL     H6    6   0.072706  -0.216595   0.027813
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.164471   0.087873   0.138979
+    0SOL     H2    2  -0.222295   0.117895   0.068855
+    0SOL     H3    3  -0.223499   0.066315   0.211182
+    1SOL     O4    4   0.175643  -0.087994  -0.134423
+    1SOL     H5    5   0.115382  -0.019016  -0.162226
+    1SOL     H6    6   0.154684  -0.162375  -0.190908
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.230215  -0.031516  -0.073263
+    0SOL     H2    2  -0.204891  -0.123055  -0.085161
+    0SOL     H3    3  -0.147231   0.016036  -0.069414
+    1SOL     O4    4   0.217707   0.032904   0.073633
+    1SOL     H5    5   0.273213   0.060014   0.000514
+    1SOL     H6    6   0.276789   0.030194   0.148895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050745   0.166175  -0.169305
+    0SOL     H2    2  -0.101232   0.084942  -0.173101
+    0SOL     H3    3  -0.035037   0.188974  -0.260934
+    1SOL     O4    4   0.051296  -0.168180   0.170923
+    1SOL     H5    5   0.007053  -0.147042   0.253131
+    1SOL     H6    6   0.116253  -0.098715   0.160078
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.250757   0.012757  -0.051163
+    0SOL     H2    2   0.209694   0.062241  -0.122068
+    0SOL     H3    3   0.180520  -0.000820   0.012434
+    1SOL     O4    4  -0.245891  -0.019037   0.046026
+    1SOL     H5    5  -0.276954   0.070569   0.058997
+    1SOL     H6    6  -0.192639  -0.037416   0.123413
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011613   0.102703  -0.231146
+    0SOL     H2    2   0.012010   0.129617  -0.142378
+    0SOL     H3    3   0.054891   0.143023  -0.286948
+    1SOL     O4    4   0.005305  -0.100329   0.227810
+    1SOL     H5    5   0.026365  -0.145123   0.309739
+    1SOL     H6    6   0.003870  -0.169912   0.162096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050254   0.037830   0.252653
+    0SOL     H2    2  -0.015451   0.026372   0.321311
+    0SOL     H3    3   0.106257  -0.039459   0.259891
+    1SOL     O4    4  -0.046860  -0.035093  -0.262175
+    1SOL     H5    5  -0.067609  -0.097226  -0.192380
+    1SOL     H6    6  -0.077112   0.049393  -0.228869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033979   0.250361  -0.093166
+    0SOL     H2    2  -0.044814   0.165527  -0.050178
+    0SOL     H3    3   0.012657   0.230356  -0.174328
+    1SOL     O4    4   0.035135  -0.250810   0.091189
+    1SOL     H5    5   0.063742  -0.215657   0.175499
+    1SOL     H6    6  -0.038004  -0.194716   0.065371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.210475   0.122253   0.129098
+    0SOL     H2    2  -0.300341   0.135856   0.099077
+    0SOL     H3    3  -0.217098   0.051738   0.193489
+    1SOL     O4    4   0.220288  -0.118805  -0.126028
+    1SOL     H5    5   0.218975  -0.064211  -0.204641
+    1SOL     H6    6   0.143818  -0.175671  -0.135022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.182688   0.051556  -0.239349
+    0SOL     H2    2   0.240238  -0.014011  -0.199962
+    0SOL     H3    3   0.219872   0.135498  -0.212265
+    1SOL     O4    4  -0.183879  -0.055346   0.230715
+    1SOL     H5    5  -0.195089   0.036295   0.255983
+    1SOL     H6    6  -0.243140  -0.103563   0.288383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.157089  -0.195372   0.205431
+    0SOL     H2    2  -0.226299  -0.136235   0.175848
+    0SOL     H3    3  -0.083776  -0.177942   0.146408
+    1SOL     O4    4   0.154898   0.187386  -0.205294
+    1SOL     H5    5   0.172488   0.281462  -0.203665
+    1SOL     H6    6   0.168840   0.158797  -0.115014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.280589  -0.006974  -0.156799
+    0SOL     H2    2  -0.200029   0.032905  -0.189694
+    0SOL     H3    3  -0.278164  -0.096763  -0.189880
+    1SOL     O4    4   0.274729   0.004444   0.165134
+    1SOL     H5    5   0.355701   0.053827   0.152199
+    1SOL     H6    6   0.214801   0.038838   0.098892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056784   0.084195  -0.311419
+    0SOL     H2    2   0.127403   0.023712  -0.288679
+    0SOL     H3    3   0.081452   0.166695  -0.269617
+    1SOL     O4    4  -0.058724  -0.088004   0.311280
+    1SOL     H5    5  -0.146396  -0.053859   0.328888
+    1SOL     H6    6  -0.048745  -0.080708   0.216361
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.321849   0.025927   0.003142
+    0SOL     H2    2   0.303182   0.073521  -0.077782
+    0SOL     H3    3   0.417410   0.022454   0.007442
+    1SOL     O4    4  -0.329557  -0.023712  -0.000992
+    1SOL     H5    5  -0.264492  -0.021608   0.069182
+    1SOL     H6    6  -0.340023  -0.116680  -0.021236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.293391  -0.121829  -0.088504
+    0SOL     H2    2  -0.291198  -0.217198  -0.080618
+    0SOL     H3    3  -0.384510  -0.098381  -0.070902
+    1SOL     O4    4   0.298993   0.124488   0.081772
+    1SOL     H5    5   0.222092   0.118422   0.138445
+    1SOL     H6    6   0.365212   0.167700   0.135717
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.008117  -0.349797   0.086612
+    0SOL     H2    2   0.028792  -0.408667   0.020776
+    0SOL     H3    3  -0.032460  -0.271251   0.037620
+    1SOL     O4    4   0.010660   0.354051  -0.078873
+    1SOL     H5    5  -0.034966   0.293935  -0.019994
+    1SOL     H6    6  -0.001599   0.316269  -0.165962
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.336838   0.064264   0.119286
+    0SOL     H2    2   0.302817   0.137244   0.067529
+    0SOL     H3    3   0.393362   0.016231   0.058786
+    1SOL     O4    4  -0.340791  -0.066700  -0.106732
+    1SOL     H5    5  -0.388899  -0.049809  -0.187742
+    1SOL     H6    6  -0.248700  -0.065483  -0.132811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.249467  -0.268193   0.073695
+    0SOL     H2    2   0.159517  -0.285569   0.101435
+    0SOL     H3    3   0.287170  -0.354908   0.058823
+    1SOL     O4    4  -0.242756   0.274371  -0.078781
+    1SOL     H5    5  -0.219838   0.248316   0.010428
+    1SOL     H6    6  -0.338236   0.281100  -0.078038
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.377729  -0.143801   0.110063
+    0SOL     H2    2  -0.287009  -0.169556   0.093664
+    0SOL     H3    3  -0.429188  -0.197501   0.049808
+    1SOL     O4    4   0.378607   0.143044  -0.102629
+    1SOL     H5    5   0.350912   0.223737  -0.059224
+    1SOL     H6    6   0.352796   0.154888  -0.194040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.232524   0.372108  -0.205818
+    0SOL     H2    2   0.167499   0.441561  -0.195309
+    0SOL     H3    3   0.276298   0.367158  -0.120837
+    1SOL     O4    4  -0.232692  -0.371170   0.195016
+    1SOL     H5    5  -0.289099  -0.438476   0.233101
+    1SOL     H6    6  -0.148900  -0.381776   0.240057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.356225   0.256402   0.232550
+    0SOL     H2    2  -0.402701   0.340056   0.234639
+    0SOL     H3    3  -0.421855   0.193212   0.203188
+    1SOL     O4    4   0.366487  -0.261072  -0.227624
+    1SOL     H5    5   0.272790  -0.251263  -0.210685
+    1SOL     H6    6   0.383032  -0.205585  -0.303846
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037578   0.487414   0.096266
+    0SOL     H2    2  -0.086263   0.465581   0.175736
+    0SOL     H3    3   0.009298   0.567936   0.118200
+    1SOL     O4    4   0.034214  -0.487519  -0.105681
+    1SOL     H5    5   0.069288  -0.575997  -0.115870
+    1SOL     H6    6   0.064342  -0.459568  -0.019233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.368808   0.097341  -0.348102
+    0SOL     H2    2  -0.362304   0.105276  -0.252933
+    0SOL     H3    3  -0.389435   0.185831  -0.378207
+    1SOL     O4    4   0.366336  -0.099418   0.348828
+    1SOL     H5    5   0.328117  -0.146356   0.274677
+    1SOL     H6    6   0.460579  -0.113897   0.340399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.443511   0.097646  -0.249366
+    0SOL     H2    2   0.536489   0.119638  -0.243550
+    0SOL     H3    3   0.409793   0.112375  -0.161000
+    1SOL     O4    4  -0.447279  -0.101752   0.239057
+    1SOL     H5    5  -0.392112  -0.028060   0.265294
+    1SOL     H6    6  -0.487457  -0.131861   0.320553
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.325848  -0.405729  -0.066361
+    0SOL     H2    2  -0.381626  -0.386742   0.009075
+    0SOL     H3    3  -0.386600  -0.434583  -0.134471
+    1SOL     O4    4   0.327705   0.403933   0.066370
+    1SOL     H5    5   0.409661   0.372689   0.104701
+    1SOL     H6    6   0.351394   0.485542   0.022312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.327390   0.435000  -0.111179
+    0SOL     H2    2   0.285051   0.365168  -0.061247
+    0SOL     H3    3   0.271386   0.447015  -0.187870
+    1SOL     O4    4  -0.327487  -0.429444   0.111640
+    1SOL     H5    5  -0.253243  -0.388472   0.156041
+    1SOL     H6    6  -0.296709  -0.517350   0.089556
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.541944  -0.031723  -0.196601
+    0SOL     H2    2   0.517848   0.040452  -0.254674
+    0SOL     H3    3   0.538650   0.006063  -0.108716
+    1SOL     O4    4  -0.539743   0.026565   0.201754
+    1SOL     H5    5  -0.476136  -0.012342   0.141732
+    1SOL     H6    6  -0.616387   0.044388   0.147253
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.650277  -0.020654   0.244243
+    0SOL     H2    2  -0.566429   0.008620   0.279948
+    0SOL     H3    3  -0.660873  -0.109678   0.277779
+    1SOL     O4    4   0.648445   0.024319  -0.241021
+    1SOL     H5    5   0.703351  -0.007338  -0.312753
+    1SOL     H6    6   0.563724   0.042302  -0.281781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.355539   0.323285   0.556439
+    0SOL     H2    2  -0.339818   0.241970   0.508448
+    0SOL     H3    3  -0.268094   0.355822   0.577820
+    1SOL     O4    4   0.353788  -0.325746  -0.554553
+    1SOL     H5    5   0.385406  -0.236369  -0.541351
+    1SOL     H6    6   0.259616  -0.316046  -0.568686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068705  -0.047309   0.087318
+    0SOL     H2    2  -0.134131  -0.097943   0.135463
+    0SOL     H3    3   0.009675  -0.051101   0.142130
+    1SOL     O4    4   0.073922   0.049003  -0.097182
+    1SOL     H5    5   0.034054  -0.004216  -0.028329
+    1SOL     H6    6   0.018101   0.126549  -0.102929
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052216   0.069367   0.101953
+    0SOL     H2    2  -0.052860   0.019949   0.019979
+    0SOL     H3    3  -0.113874   0.141087   0.087223
+    1SOL     O4    4   0.056089  -0.069906  -0.089017
+    1SOL     H5    5   0.015250  -0.141099  -0.138272
+    1SOL     H6    6   0.093568  -0.012765  -0.156044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084091   0.054708  -0.092068
+    0SOL     H2    2   0.023452   0.025393  -0.024054
+    0SOL     H3    3   0.041432   0.030562  -0.174284
+    1SOL     O4    4  -0.074281  -0.045959   0.092925
+    1SOL     H5    5  -0.159603  -0.055685   0.050642
+    1SOL     H6    6  -0.056903  -0.131643   0.131895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055413   0.124168   0.011899
+    0SOL     H2    2   0.120238   0.123545  -0.058526
+    0SOL     H3    3   0.035098   0.031797   0.026635
+    1SOL     O4    4  -0.056759  -0.116484  -0.002655
+    1SOL     H5    5  -0.004640  -0.184560  -0.045216
+    1SOL     H6    6  -0.125289  -0.095532  -0.066113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006652   0.058164   0.113158
+    0SOL     H2    2   0.067089   0.048849   0.173472
+    0SOL     H3    3  -0.044883   0.143171   0.134941
+    1SOL     O4    4   0.009082  -0.062500  -0.123671
+    1SOL     H5    5  -0.075796  -0.106327  -0.117581
+    1SOL     H6    6   0.020703  -0.020733  -0.038331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005696   0.130852  -0.013338
+    0SOL     H2    2   0.027146   0.166458  -0.095896
+    0SOL     H3    3   0.053512   0.165955   0.053179
+    1SOL     O4    4   0.006627  -0.136402   0.011167
+    1SOL     H5    5  -0.061225  -0.188241   0.054425
+    1SOL     H6    6  -0.022041  -0.045696   0.021795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016651  -0.028063  -0.130563
+    0SOL     H2    2   0.027555   0.020306  -0.212440
+    0SOL     H3    3   0.065787   0.022698  -0.065977
+    1SOL     O4    4  -0.022454   0.016912   0.126757
+    1SOL     H5    5  -0.029267   0.112000   0.118147
+    1SOL     H6    6   0.020742   0.003487   0.211115
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061649   0.114782  -0.010302
+    0SOL     H2    2  -0.061416   0.134942  -0.103874
+    0SOL     H3    3  -0.150508   0.135650   0.018523
+    1SOL     O4    4   0.070284  -0.120508   0.019434
+    1SOL     H5    5   0.085724  -0.133798  -0.074093
+    1SOL     H6    6   0.004178  -0.051387   0.023261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040256   0.079257  -0.111997
+    0SOL     H2    2  -0.111723   0.016236  -0.102883
+    0SOL     H3    3   0.000364   0.082173  -0.025372
+    1SOL     O4    4   0.037386  -0.072807   0.109289
+    1SOL     H5    5   0.126506  -0.039737   0.098049
+    1SOL     H6    6   0.033885  -0.151378   0.054730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099663   0.055904   0.064524
+    0SOL     H2    2   0.193531   0.061045   0.046506
+    0SOL     H3    3   0.083646   0.125372   0.128397
+    1SOL     O4    4  -0.106899  -0.056988  -0.072043
+    1SOL     H5    5  -0.014381  -0.045508  -0.050344
+    1SOL     H6    6  -0.139669  -0.117962  -0.005932
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074825  -0.085371  -0.072164
+    0SOL     H2    2  -0.061418  -0.159756  -0.130895
+    0SOL     H3    3  -0.112792  -0.017383  -0.127827
+    1SOL     O4    4   0.082240   0.086849   0.080737
+    1SOL     H5    5   0.020311   0.155779   0.056742
+    1SOL     H6    6   0.036263   0.005287   0.060834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057267  -0.064541  -0.109764
+    0SOL     H2    2  -0.010643  -0.002848  -0.082478
+    0SOL     H3    3   0.059726  -0.056884  -0.205145
+    1SOL     O4    4  -0.050201   0.063707   0.108797
+    1SOL     H5    5  -0.016655   0.020966   0.187602
+    1SOL     H6    6  -0.144683   0.048641   0.111695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125174   0.010948   0.069516
+    0SOL     H2    2   0.189720   0.015412  -0.001026
+    0SOL     H3    3   0.041398  -0.000655   0.024691
+    1SOL     O4    4  -0.119028  -0.005752  -0.058599
+    1SOL     H5    5  -0.110499  -0.036940  -0.148693
+    1SOL     H6    6  -0.199149  -0.047051  -0.026391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001884  -0.138176   0.003581
+    0SOL     H2    2  -0.086093  -0.179017   0.023658
+    0SOL     H3    3   0.014555  -0.160825  -0.087957
+    1SOL     O4    4   0.007360   0.146341   0.006033
+    1SOL     H5    5  -0.023926   0.173809  -0.080158
+    1SOL     H6    6   0.013961   0.051045  -0.000080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078211   0.048007  -0.115694
+    0SOL     H2    2   0.013185   0.041169  -0.045786
+    0SOL     H3    3   0.161352   0.060661  -0.069982
+    1SOL     O4    4  -0.079727  -0.042609   0.105074
+    1SOL     H5    5  -0.064997  -0.133377   0.078497
+    1SOL     H6    6  -0.087196  -0.046432   0.200426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017105   0.070771  -0.130146
+    0SOL     H2    2  -0.045387   0.133036  -0.092997
+    0SOL     H3    3   0.013283  -0.004877  -0.071621
+    1SOL     O4    4  -0.014781  -0.066722   0.118301
+    1SOL     H5    5   0.056857  -0.128184   0.134194
+    1SOL     H6    6  -0.059076  -0.059121   0.202814
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023697   0.092975   0.111959
+    0SOL     H2    2   0.071352   0.085545   0.120489
+    0SOL     H3    3  -0.055241   0.002671   0.115485
+    1SOL     O4    4   0.024767  -0.088505  -0.117115
+    1SOL     H5    5   0.021909  -0.016533  -0.054074
+    1SOL     H6    6  -0.056774  -0.136461  -0.102501
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009273  -0.062205   0.134553
+    0SOL     H2    2   0.096332  -0.101824   0.130892
+    0SOL     H3    3   0.004206  -0.008079   0.055769
+    1SOL     O4    4  -0.015224   0.061106  -0.123085
+    1SOL     H5    5  -0.023815  -0.011391  -0.184994
+    1SOL     H6    6   0.011755   0.135537  -0.176884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091624   0.106051  -0.030542
+    0SOL     H2    2  -0.080219   0.032436  -0.090651
+    0SOL     H3    3  -0.184863   0.127065  -0.035753
+    1SOL     O4    4   0.100528  -0.102611   0.028837
+    1SOL     H5    5   0.048439  -0.178843   0.054092
+    1SOL     H6    6   0.081230  -0.037079   0.095885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140269   0.044685  -0.031952
+    0SOL     H2    2   0.141236   0.130476   0.010491
+    0SOL     H3    3   0.049432   0.015375  -0.024762
+    1SOL     O4    4  -0.133338  -0.042180   0.031600
+    1SOL     H5    5  -0.188075  -0.055697  -0.045753
+    1SOL     H6    6  -0.107296  -0.130342   0.058275
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047642   0.118787  -0.079633
+    0SOL     H2    2  -0.007647   0.044974  -0.033652
+    0SOL     H3    3  -0.123371   0.081013  -0.124360
+    1SOL     O4    4   0.043269  -0.109641   0.076767
+    1SOL     H5    5   0.086611  -0.088931   0.159560
+    1SOL     H6    6   0.098775  -0.176543   0.036699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110532   0.005326  -0.100168
+    0SOL     H2    2   0.198930  -0.008816  -0.066284
+    0SOL     H3    3   0.053288  -0.009909  -0.024979
+    1SOL     O4    4  -0.110602  -0.001243   0.088897
+    1SOL     H5    5  -0.159822   0.043779   0.157547
+    1SOL     H6    6  -0.095963  -0.089228   0.123633
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020294  -0.119225  -0.073860
+    0SOL     H2    2  -0.011978  -0.137996  -0.167353
+    0SOL     H3    3   0.005116  -0.200774  -0.030657
+    1SOL     O4    4   0.021886   0.122640   0.082366
+    1SOL     H5    5   0.027689   0.083905  -0.004974
+    1SOL     H6    6  -0.040275   0.194764   0.072550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071605  -0.107801   0.059054
+    0SOL     H2    2   0.070641  -0.147408   0.146190
+    0SOL     H3    3   0.163337  -0.111601   0.031978
+    1SOL     O4    4  -0.082811   0.113550  -0.061435
+    1SOL     H5    5  -0.009748   0.142278  -0.116197
+    1SOL     H6    6  -0.054683   0.029083  -0.026271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011614  -0.007078   0.147295
+    0SOL     H2    2   0.103599  -0.019151   0.123730
+    0SOL     H3    3   0.011204   0.070423   0.203471
+    1SOL     O4    4  -0.016331  -0.002201  -0.153600
+    1SOL     H5    5  -0.004771   0.089763  -0.177500
+    1SOL     H6    6  -0.040496  -0.000078  -0.061004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066444  -0.102815  -0.090986
+    0SOL     H2    2   0.006062  -0.048868  -0.059444
+    0SOL     H3    3  -0.028496  -0.155107  -0.161610
+    1SOL     O4    4   0.061201   0.097831   0.089662
+    1SOL     H5    5  -0.005110   0.104184   0.158398
+    1SOL     H6    6   0.106632   0.182042   0.092286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106656  -0.069068  -0.093377
+    0SOL     H2    2  -0.134597   0.009829  -0.046935
+    0SOL     H3    3  -0.011040  -0.066449  -0.089765
+    1SOL     O4    4   0.097387   0.061218   0.089464
+    1SOL     H5    5   0.112997   0.154893   0.077482
+    1SOL     H6    6   0.180245   0.027207   0.123230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.087334   0.121929   0.017469
+    0SOL     H2    2   0.107527   0.163835  -0.066187
+    0SOL     H3    3   0.008370   0.166470   0.048181
+    1SOL     O4    4  -0.090270  -0.128114  -0.013053
+    1SOL     H5    5  -0.022600  -0.084178   0.038452
+    1SOL     H6    6  -0.046429  -0.152279  -0.094639
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037222   0.117022  -0.100369
+    0SOL     H2    2   0.071049   0.072985  -0.022402
+    0SOL     H3    3  -0.053701   0.137675  -0.078718
+    1SOL     O4    4  -0.028003  -0.112983   0.094495
+    1SOL     H5    5  -0.077970  -0.135523   0.172965
+    1SOL     H6    6  -0.083205  -0.141788   0.021795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040777   0.144525   0.049146
+    0SOL     H2    2   0.025168   0.155482   0.117655
+    0SOL     H3    3  -0.056319   0.050139   0.045672
+    1SOL     O4    4   0.034273  -0.138980  -0.048916
+    1SOL     H5    5   0.129340  -0.149704  -0.045819
+    1SOL     H6    6   0.012051  -0.148520  -0.141530
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044784  -0.145740   0.023894
+    0SOL     H2    2   0.102433  -0.161296   0.098707
+    0SOL     H3    3   0.102899  -0.113104  -0.044807
+    1SOL     O4    4  -0.051129   0.151344  -0.022613
+    1SOL     H5    5  -0.023867   0.082110   0.037601
+    1SOL     H6    6  -0.064080   0.106667  -0.106270
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074013   0.131610  -0.051082
+    0SOL     H2    2   0.136298   0.151956   0.018696
+    0SOL     H3    3   0.024208   0.056959  -0.017779
+    1SOL     O4    4  -0.073367  -0.121845   0.045711
+    1SOL     H5    5  -0.070762  -0.189340   0.113534
+    1SOL     H6    6  -0.101686  -0.168136  -0.033140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021707   0.024479  -0.149702
+    0SOL     H2    2   0.046285  -0.023141  -0.197364
+    0SOL     H3    3  -0.006305   0.116427  -0.171400
+    1SOL     O4    4   0.013686  -0.023793   0.158687
+    1SOL     H5    5   0.062653  -0.105991   0.161528
+    1SOL     H6    6   0.019907   0.004710   0.067521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024239   0.107609   0.111082
+    0SOL     H2    2   0.067560   0.110086   0.138083
+    0SOL     H3    3  -0.064801   0.043784   0.169762
+    1SOL     O4    4   0.026611  -0.108142  -0.114488
+    1SOL     H5    5  -0.013735  -0.042511  -0.057680
+    1SOL     H6    6  -0.027731  -0.108343  -0.193287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070253  -0.131625   0.038862
+    0SOL     H2    2  -0.093353  -0.131135   0.131751
+    0SOL     H3    3  -0.154351  -0.129288  -0.006794
+    1SOL     O4    4   0.080592   0.136678  -0.040656
+    1SOL     H5    5   0.078083   0.055781   0.010448
+    1SOL     H6    6   0.008310   0.128052  -0.102811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118566  -0.004566   0.105893
+    0SOL     H2    2   0.206592   0.012379   0.072329
+    0SOL     H3    3   0.066890   0.070542   0.076727
+    1SOL     O4    4  -0.114003   0.001596  -0.103019
+    1SOL     H5    5  -0.152175  -0.073279  -0.148833
+    1SOL     H6    6  -0.185140   0.035173  -0.048482
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090804  -0.038943  -0.130098
+    0SOL     H2    2   0.147106   0.030573  -0.096043
+    0SOL     H3    3   0.006583   0.003821  -0.145607
+    1SOL     O4    4  -0.088137   0.033682   0.135864
+    1SOL     H5    5  -0.099911  -0.051458   0.093735
+    1SOL     H6    6  -0.096868   0.097089   0.064690
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020427  -0.119471  -0.099387
+    0SOL     H2    2   0.100820  -0.171336  -0.102415
+    0SOL     H3    3  -0.049955  -0.184337  -0.098329
+    1SOL     O4    4  -0.024653   0.127319   0.105569
+    1SOL     H5    5  -0.012264   0.179722   0.026431
+    1SOL     H6    6   0.022733   0.045993   0.088164
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153076   0.032951   0.022384
+    0SOL     H2    2   0.132940   0.120001  -0.011954
+    0SOL     H3    3   0.244325   0.017925  -0.002317
+    1SOL     O4    4  -0.162319  -0.039285  -0.016627
+    1SOL     H5    5  -0.088782  -0.000394   0.030724
+    1SOL     H6    6  -0.135576  -0.037051  -0.108508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137149   0.090977  -0.040238
+    0SOL     H2    2  -0.093953   0.009773  -0.066739
+    0SOL     H3    3  -0.072932   0.135341   0.015174
+    1SOL     O4    4   0.124853  -0.089611   0.036222
+    1SOL     H5    5   0.204637  -0.086774  -0.016587
+    1SOL     H6    6   0.155079  -0.076505   0.126093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050761   0.029009   0.146538
+    0SOL     H2    2   0.127608   0.068664   0.187577
+    0SOL     H3    3  -0.020971   0.047285   0.207225
+    1SOL     O4    4  -0.055952  -0.034098  -0.156886
+    1SOL     H5    5  -0.059360   0.038228  -0.094279
+    1SOL     H6    6   0.027997  -0.076762  -0.139721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023206  -0.050647   0.151872
+    0SOL     H2    2   0.112621  -0.030919   0.179765
+    0SOL     H3    3  -0.030916   0.013866   0.197383
+    1SOL     O4    4  -0.030245   0.044198  -0.156391
+    1SOL     H5    5   0.018001   0.108123  -0.208813
+    1SOL     H6    6   0.026865   0.026450  -0.081653
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140184  -0.080644  -0.054549
+    0SOL     H2    2   0.064847  -0.046012  -0.006725
+    0SOL     H3    3   0.145863  -0.026194  -0.133068
+    1SOL     O4    4  -0.137634   0.069512   0.054039
+    1SOL     H5    5  -0.115810   0.148005   0.003791
+    1SOL     H6    6  -0.139305   0.098996   0.145089
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096926   0.039783   0.125883
+    0SOL     H2    2  -0.171239   0.088167   0.161924
+    0SOL     H3    3  -0.034201   0.107507   0.100559
+    1SOL     O4    4   0.101323  -0.048328  -0.121384
+    1SOL     H5    5   0.122712   0.008964  -0.195022
+    1SOL     H6    6   0.010812  -0.075097  -0.137306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053671  -0.049242  -0.145376
+    0SOL     H2    2   0.106239  -0.106129  -0.089138
+    0SOL     H3    3   0.109687  -0.031888  -0.221029
+    1SOL     O4    4  -0.061677   0.046152   0.148355
+    1SOL     H5    5  -0.103857   0.130323   0.165630
+    1SOL     H6    6   0.012540   0.067647   0.091857
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038410   0.140147   0.069753
+    0SOL     H2    2   0.020551   0.165073   0.140920
+    0SOL     H3    3  -0.110148   0.203319   0.074784
+    1SOL     O4    4   0.041683  -0.143121  -0.069440
+    1SOL     H5    5   0.030208  -0.234363  -0.096001
+    1SOL     H6    6   0.000696  -0.092393  -0.139505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051200   0.167727   0.012359
+    0SOL     H2    2  -0.086672   0.097501  -0.042160
+    0SOL     H3    3  -0.026426   0.124482   0.094080
+    1SOL     O4    4   0.051892  -0.167435  -0.012669
+    1SOL     H5    5   0.095405  -0.095049   0.032379
+    1SOL     H6    6   0.004725  -0.125890  -0.084860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.150707   0.054290  -0.066983
+    0SOL     H2    2   0.159229   0.050819   0.028294
+    0SOL     H3    3   0.079115   0.115916  -0.082445
+    1SOL     O4    4  -0.142959  -0.059316   0.067607
+    1SOL     H5    5  -0.212653  -0.110934   0.027103
+    1SOL     H6    6  -0.141389   0.022297   0.017615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025336   0.099154   0.138127
+    0SOL     H2    2   0.095731   0.162328   0.152820
+    0SOL     H3    3   0.019907   0.090986   0.042911
+    1SOL     O4    4  -0.023328  -0.096776  -0.136291
+    1SOL     H5    5  -0.030440  -0.150972  -0.057713
+    1SOL     H6    6  -0.099203  -0.121243  -0.189268
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004429  -0.015809   0.173405
+    0SOL     H2    2  -0.064068  -0.090586   0.169691
+    0SOL     H3    3  -0.053678   0.056151   0.133927
+    1SOL     O4    4   0.014379   0.020701  -0.167230
+    1SOL     H5    5  -0.046469  -0.044953  -0.133329
+    1SOL     H6    6   0.021775   0.000657  -0.260535
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132188  -0.009201   0.122913
+    0SOL     H2    2  -0.112904   0.066725   0.067907
+    0SOL     H3    3  -0.185606  -0.066065   0.067458
+    1SOL     O4    4   0.139003   0.005462  -0.118008
+    1SOL     H5    5   0.051323  -0.025095  -0.141263
+    1SOL     H6    6   0.125344   0.093823  -0.083833
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070386  -0.156665  -0.040010
+    0SOL     H2    2   0.022303  -0.177101  -0.052399
+    0SOL     H3    3  -0.116019  -0.213771  -0.101807
+    1SOL     O4    4   0.061476   0.160013   0.040666
+    1SOL     H5    5   0.096271   0.113138   0.116523
+    1SOL     H6    6   0.123388   0.231568   0.026202
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098918  -0.151806   0.003326
+    0SOL     H2    2  -0.028637  -0.125383  -0.056044
+    0SOL     H3    3  -0.151948  -0.212832  -0.047917
+    1SOL     O4    4   0.100355   0.149969   0.000045
+    1SOL     H5    5   0.006530   0.165600   0.010760
+    1SOL     H6    6   0.142034   0.212668   0.059155
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.048083  -0.036662   0.172966
+    0SOL     H2    2   0.107905  -0.111316   0.176192
+    0SOL     H3    3   0.100018   0.034073   0.134736
+    1SOL     O4    4  -0.060528   0.034179  -0.171986
+    1SOL     H5    5  -0.004225   0.080952  -0.233667
+    1SOL     H6    6  -0.008654   0.028439  -0.091746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013251   0.064178   0.170615
+    0SOL     H2    2   0.078180   0.006952   0.129729
+    0SOL     H3    3   0.041531   0.071267   0.261787
+    1SOL     O4    4  -0.016633  -0.066997  -0.173923
+    1SOL     H5    5   0.016515   0.007121  -0.224619
+    1SOL     H6    6  -0.086027  -0.029746  -0.119524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122683   0.045719  -0.132211
+    0SOL     H2    2  -0.170280   0.069275  -0.052575
+    0SOL     H3    3  -0.188495   0.049794  -0.201597
+    1SOL     O4    4   0.129730  -0.044438   0.136289
+    1SOL     H5    5   0.171919  -0.124570   0.105285
+    1SOL     H6    6   0.064525  -0.024149   0.069213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068692   0.150746  -0.101647
+    0SOL     H2    2  -0.116159   0.071831  -0.075540
+    0SOL     H3    3  -0.032458   0.129598  -0.187683
+    1SOL     O4    4   0.066847  -0.141483   0.108834
+    1SOL     H5    5   0.149744  -0.188968   0.114796
+    1SOL     H6    6   0.026758  -0.173250   0.027926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065410   0.181863   0.013373
+    0SOL     H2    2   0.028400   0.199793  -0.073063
+    0SOL     H3    3   0.151691   0.144577  -0.004729
+    1SOL     O4    4  -0.070188  -0.177826  -0.011721
+    1SOL     H5    5   0.013725  -0.161505   0.031342
+    1SOL     H6    6  -0.109213  -0.249587   0.038176
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080146   0.124156  -0.128037
+    0SOL     H2    2   0.008728   0.140560  -0.096498
+    0SOL     H3    3  -0.100008   0.199257  -0.183963
+    1SOL     O4    4   0.072739  -0.130408   0.133629
+    1SOL     H5    5   0.163547  -0.157654   0.120441
+    1SOL     H6    6   0.057867  -0.063377   0.066936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.169706   0.023661  -0.106225
+    0SOL     H2    2  -0.140341  -0.015593  -0.188438
+    0SOL     H3    3  -0.134380  -0.033740  -0.038258
+    1SOL     O4    4   0.160211  -0.020906   0.104402
+    1SOL     H5    5   0.219946  -0.059897   0.168227
+    1SOL     H6    6   0.197186   0.065579   0.086638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.082660   0.096422  -0.152148
+    0SOL     H2    2   0.154874   0.091430  -0.089518
+    0SOL     H3    3   0.074441   0.189718  -0.171913
+    1SOL     O4    4  -0.087476  -0.107987   0.153782
+    1SOL     H5    5  -0.137041  -0.026222   0.158286
+    1SOL     H6    6  -0.020295  -0.091709   0.087570
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033005  -0.179078   0.072409
+    0SOL     H2    2  -0.085123  -0.230885   0.011074
+    0SOL     H3    3  -0.057244  -0.212564   0.158743
+    1SOL     O4    4   0.039794   0.186897  -0.078910
+    1SOL     H5    5  -0.038879   0.211187  -0.030096
+    1SOL     H6    6   0.073768   0.110088  -0.032994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094590  -0.043458   0.185408
+    0SOL     H2    2  -0.123471  -0.010961   0.270684
+    0SOL     H3    3  -0.172066  -0.085708   0.148331
+    1SOL     O4    4   0.106020   0.043371  -0.186722
+    1SOL     H5    5   0.041585   0.094184  -0.137441
+    1SOL     H6    6   0.055532   0.002091  -0.256787
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080728   0.136993  -0.147798
+    0SOL     H2    2   0.041139   0.113407  -0.231694
+    0SOL     H3    3   0.152877   0.075016  -0.137039
+    1SOL     O4    4  -0.077385  -0.129102   0.155661
+    1SOL     H5    5  -0.163870  -0.157353   0.185403
+    1SOL     H6    6  -0.075449  -0.151634   0.062651
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.213724  -0.047106   0.002295
+    0SOL     H2    2  -0.218875   0.039008   0.043770
+    0SOL     H3    3  -0.191444  -0.106838   0.073696
+    1SOL     O4    4   0.214845   0.039841  -0.007558
+    1SOL     H5    5   0.126249   0.067987  -0.030379
+    1SOL     H6    6   0.263308   0.121349   0.005486
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.167713  -0.164244   0.045494
+    0SOL     H2    2   0.072091  -0.160290   0.047275
+    0SOL     H3    3   0.193504  -0.094389  -0.014652
+    1SOL     O4    4  -0.160588   0.165530  -0.039268
+    1SOL     H5    5  -0.186972   0.080874  -0.003220
+    1SOL     H6    6  -0.189619   0.162890  -0.130441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.175515   0.096212   0.130181
+    0SOL     H2    2   0.121920   0.016907   0.131002
+    0SOL     H3    3   0.244267   0.079382   0.194620
+    1SOL     O4    4  -0.182642  -0.090709  -0.131096
+    1SOL     H5    5  -0.153086  -0.134916  -0.210686
+    1SOL     H6    6  -0.102731  -0.054880  -0.092459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.156007   0.169383   0.089685
+    0SOL     H2    2  -0.162158   0.127394   0.003886
+    0SOL     H3    3  -0.210720   0.247560   0.082122
+    1SOL     O4    4   0.157126  -0.170255  -0.089694
+    1SOL     H5    5   0.189297  -0.257500  -0.066987
+    1SOL     H6    6   0.175008  -0.117136  -0.012099
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.134704   0.176930   0.097085
+    0SOL     H2    2   0.228141   0.175754   0.117829
+    0SOL     H3    3   0.118910   0.264762   0.062466
+    1SOL     O4    4  -0.140987  -0.186969  -0.090920
+    1SOL     H5    5  -0.192222  -0.172906  -0.170541
+    1SOL     H6    6  -0.066766  -0.127102  -0.099255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.157215  -0.197710  -0.028461
+    0SOL     H2    2   0.065568  -0.216718  -0.008415
+    0SOL     H3    3   0.157805  -0.178622  -0.122256
+    1SOL     O4    4  -0.148923   0.203297   0.032295
+    1SOL     H5    5  -0.235217   0.175924   0.001209
+    1SOL     H6    6  -0.112786   0.125357   0.074506
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010608   0.244321  -0.068882
+    0SOL     H2    2   0.048659   0.208334  -0.149003
+    0SOL     H3    3  -0.031690   0.325532  -0.096777
+    1SOL     O4    4  -0.012042  -0.243533   0.080209
+    1SOL     H5    5  -0.060411  -0.257509  -0.001200
+    1SOL     H6    6   0.068232  -0.294559   0.069492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014193   0.143925   0.211897
+    0SOL     H2    2   0.095965   0.181906   0.244040
+    0SOL     H3    3  -0.025238   0.103106   0.288977
+    1SOL     O4    4  -0.020983  -0.144719  -0.219448
+    1SOL     H5    5  -0.003325  -0.072494  -0.159165
+    1SOL     H6    6   0.060045  -0.195672  -0.220241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.131110   0.195176   0.146690
+    0SOL     H2    2  -0.211007   0.146992   0.125310
+    0SOL     H3    3  -0.070262   0.173266   0.076122
+    1SOL     O4    4   0.134224  -0.184939  -0.138929
+    1SOL     H5    5   0.190481  -0.247154  -0.185045
+    1SOL     H6    6   0.048000  -0.226499  -0.138233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126817   0.252441  -0.030142
+    0SOL     H2    2   0.166635   0.275694  -0.114024
+    0SOL     H3    3   0.185958   0.187095   0.007202
+    1SOL     O4    4  -0.133504  -0.255109   0.028606
+    1SOL     H5    5  -0.080808  -0.259922   0.108370
+    1SOL     H6    6  -0.158853  -0.163035   0.022110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017532  -0.277205  -0.084749
+    0SOL     H2    2   0.041028  -0.248801   0.003588
+    0SOL     H3    3   0.038690  -0.370544  -0.086369
+    1SOL     O4    4  -0.016452   0.274469   0.082318
+    1SOL     H5    5  -0.107162   0.282614   0.052862
+    1SOL     H6    6   0.015725   0.364539   0.086120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022158   0.211597  -0.209540
+    0SOL     H2    2  -0.017520   0.193914  -0.115582
+    0SOL     H3    3  -0.022792   0.307098  -0.215985
+    1SOL     O4    4   0.019068  -0.217863   0.209576
+    1SOL     H5    5   0.048862  -0.129976   0.186113
+    1SOL     H6    6   0.044912  -0.272564   0.135400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.170072  -0.270761   0.026850
+    0SOL     H2    2  -0.221316  -0.279783  -0.053492
+    0SOL     H3    3  -0.095423  -0.216370   0.001723
+    1SOL     O4    4   0.173805   0.263418  -0.021762
+    1SOL     H5    5   0.123778   0.285749   0.056730
+    1SOL     H6    6   0.141318   0.323496  -0.088826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.297725  -0.011870  -0.155485
+    0SOL     H2    2   0.282459   0.054866  -0.222384
+    0SOL     H3    3   0.254429   0.022249  -0.077231
+    1SOL     O4    4  -0.294661   0.007666   0.149025
+    1SOL     H5    5  -0.224292  -0.024697   0.205267
+    1SOL     H6    6  -0.367197   0.025136   0.208989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056446   0.143347   0.305654
+    0SOL     H2    2   0.035116   0.157854   0.329490
+    0SOL     H3    3  -0.098497   0.228274   0.319128
+    1SOL     O4    4   0.055365  -0.149828  -0.313496
+    1SOL     H5    5   0.076035  -0.206243  -0.238981
+    1SOL     H6    6   0.000702  -0.080438  -0.276626
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113670  -0.326690   0.127919
+    0SOL     H2    2  -0.020165  -0.309055   0.138323
+    0SOL     H3    3  -0.147168  -0.250988   0.079862
+    1SOL     O4    4   0.105223   0.319903  -0.122819
+    1SOL     H5    5   0.119456   0.392899  -0.183079
+    1SOL     H6    6   0.189979   0.275652  -0.118283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.180596  -0.099257   0.306488
+    0SOL     H2    2   0.106280  -0.127491   0.359799
+    0SOL     H3    3   0.249148  -0.163459   0.324958
+    1SOL     O4    4  -0.180846   0.098494  -0.313870
+    1SOL     H5    5  -0.245938   0.151685  -0.268087
+    1SOL     H6    6  -0.099875   0.149184  -0.307816
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017974  -0.381809   0.097073
+    0SOL     H2    2   0.104878  -0.388747   0.057552
+    0SOL     H3    3  -0.030879  -0.455670   0.060738
+    1SOL     O4    4  -0.023067   0.386884  -0.098625
+    1SOL     H5    5   0.048233   0.439311  -0.062155
+    1SOL     H6    6  -0.045448   0.325094  -0.029031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056484  -0.336168   0.274852
+    0SOL     H2    2  -0.025503  -0.290102   0.196875
+    0SOL     H3    3  -0.149672  -0.314880   0.279864
+    1SOL     O4    4   0.061133   0.326274  -0.269695
+    1SOL     H5    5   0.013150   0.367084  -0.341768
+    1SOL     H6    6   0.082335   0.398765  -0.210892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.212678   0.185793  -0.329955
+    0SOL     H2    2   0.120355   0.208653  -0.340738
+    0SOL     H3    3   0.248925   0.189951  -0.418448
+    1SOL     O4    4  -0.202819  -0.189246   0.338261
+    1SOL     H5    5  -0.257314  -0.117064   0.369604
+    1SOL     H6    6  -0.251450  -0.225669   0.264296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.357719  -0.230399   0.208379
+    0SOL     H2    2  -0.368215  -0.311026   0.258892
+    0SOL     H3    3  -0.428967  -0.232656   0.144496
+    1SOL     O4    4   0.365665   0.239373  -0.205951
+    1SOL     H5    5   0.319035   0.224368  -0.288187
+    1SOL     H6    6   0.343907   0.163479  -0.151832
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.373099  -0.274570  -0.248759
+    0SOL     H2    2   0.277785  -0.268318  -0.242564
+    0SOL     H3    3   0.390629  -0.368455  -0.255120
+    1SOL     O4    4  -0.371222   0.278436   0.254963
+    1SOL     H5    5  -0.280668   0.267835   0.225808
+    1SOL     H6    6  -0.416606   0.315553   0.179300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.330912  -0.204660   0.420171
+    0SOL     H2    2  -0.299981  -0.136205   0.479495
+    0SOL     H3    3  -0.286884  -0.284161   0.450231
+    1SOL     O4    4   0.322739   0.204673  -0.420709
+    1SOL     H5    5   0.415662   0.227031  -0.415441
+    1SOL     H6    6   0.306599   0.191007  -0.514063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.561919   0.295493   0.085453
+    0SOL     H2    2   0.544952   0.347949   0.163702
+    0SOL     H3    3   0.537278   0.352446   0.012573
+    1SOL     O4    4  -0.563793  -0.306172  -0.087077
+    1SOL     H5    5  -0.513571  -0.288320  -0.007571
+    1SOL     H6    6  -0.544135  -0.232491  -0.144931
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.619436   0.073248   0.232655
+    0SOL     H2    2  -0.615462  -0.016627   0.199958
+    0SOL     H3    3  -0.704703   0.105610   0.203594
+    1SOL     O4    4   0.624834  -0.070229  -0.236408
+    1SOL     H5    5   0.548319  -0.095296  -0.184644
+    1SOL     H6    6   0.685139  -0.031566  -0.172920
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.164715  -0.527107   0.399801
+    0SOL     H2    2   0.176157  -0.567045   0.313567
+    0SOL     H3    3   0.144738  -0.600576   0.457815
+    1SOL     O4    4  -0.169659   0.530360  -0.402664
+    1SOL     H5    5  -0.165936   0.586275  -0.325063
+    1SOL     H6    6  -0.081529   0.493758  -0.410121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115191  -0.044100   0.003510
+    0SOL     H2    2  -0.126957  -0.058818  -0.090338
+    0SOL     H3    3  -0.121906  -0.131262   0.042498
+    1SOL     O4    4   0.121431   0.047919   0.003014
+    1SOL     H5    5   0.115111   0.129352  -0.046895
+    1SOL     H6    6   0.035990   0.006235  -0.008152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089424   0.084846   0.001151
+    0SOL     H2    2  -0.179907   0.105838   0.024271
+    0SOL     H3    3  -0.066585   0.148481  -0.066608
+    1SOL     O4    4   0.096471  -0.093008   0.007516
+    1SOL     H5    5   0.107794  -0.127651  -0.080994
+    1SOL     H6    6   0.040740  -0.016012  -0.003796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010837   0.126291  -0.040167
+    0SOL     H2    2  -0.080289   0.151596  -0.054934
+    0SOL     H3    3   0.022072   0.046143  -0.091279
+    1SOL     O4    4  -0.000285  -0.124256   0.041734
+    1SOL     H5    5  -0.051999  -0.183299   0.096525
+    1SOL     H6    6  -0.060767  -0.053723   0.018730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110771   0.008782   0.069192
+    0SOL     H2    2  -0.090827   0.036367   0.158655
+    0SOL     H3    3  -0.149395  -0.078253   0.078962
+    1SOL     O4    4   0.116913  -0.002171  -0.075337
+    1SOL     H5    5   0.028707   0.030912  -0.058378
+    1SOL     H6    6   0.104493  -0.095275  -0.093768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012898  -0.124324  -0.054772
+    0SOL     H2    2  -0.097912  -0.119258  -0.011077
+    0SOL     H3    3  -0.029926  -0.094086  -0.143980
+    1SOL     O4    4   0.023135   0.126310   0.054385
+    1SOL     H5    5   0.003223   0.035620   0.031122
+    1SOL     H6    6  -0.020309   0.139565   0.138643
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075716   0.006308  -0.118864
+    0SOL     H2    2  -0.026236   0.030088  -0.040452
+    0SOL     H3    3  -0.013128  -0.041687  -0.173100
+    1SOL     O4    4   0.065981  -0.009356   0.115112
+    1SOL     H5    5   0.042029   0.065446   0.169822
+    1SOL     H6    6   0.161336  -0.004537   0.108282
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078618  -0.082911   0.067848
+    0SOL     H2    2  -0.102780  -0.162271   0.020093
+    0SOL     H3    3  -0.161868  -0.047290   0.098878
+    1SOL     O4    4   0.085930   0.082605  -0.073192
+    1SOL     H5    5   0.038360   0.036835  -0.003877
+    1SOL     H6    6   0.101599   0.170141  -0.037777
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067562  -0.096256   0.078382
+    0SOL     H2    2   0.006526  -0.029645   0.046761
+    0SOL     H3    3   0.076935  -0.077790   0.171835
+    1SOL     O4    4  -0.067731   0.090632  -0.075937
+    1SOL     H5    5  -0.084834   0.042822  -0.157079
+    1SOL     H6    6   0.005196   0.148837  -0.097293
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000589   0.101385  -0.087014
+    0SOL     H2    2  -0.092457   0.087052  -0.109755
+    0SOL     H3    3   0.013611   0.194812  -0.102245
+    1SOL     O4    4  -0.000281  -0.110464   0.090149
+    1SOL     H5    5   0.084124  -0.116556   0.134882
+    1SOL     H6    6   0.007685  -0.033139   0.034295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019312  -0.063297   0.117607
+    0SOL     H2    2   0.090393  -0.020948   0.165737
+    0SOL     H3    3  -0.042228  -0.091269   0.185376
+    1SOL     O4    4  -0.019687   0.065928  -0.130088
+    1SOL     H5    5   0.010359  -0.023266  -0.112652
+    1SOL     H6    6  -0.055681   0.095878  -0.046603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110400   0.060150  -0.056286
+    0SOL     H2    2  -0.156821   0.049904   0.026794
+    0SOL     H3    3  -0.122821   0.152171  -0.079527
+    1SOL     O4    4   0.119965  -0.067736   0.055421
+    1SOL     H5    5   0.032270  -0.078156   0.092345
+    1SOL     H6    6   0.107440  -0.010750  -0.020460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094342  -0.076497   0.074365
+    0SOL     H2    2   0.174436  -0.122486   0.049220
+    0SOL     H3    3   0.050341  -0.057835  -0.008568
+    1SOL     O4    4  -0.096982   0.071444  -0.064298
+    1SOL     H5    5  -0.080008   0.080262  -0.158088
+    1SOL     H6    6  -0.101299   0.161489  -0.032120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054165  -0.080489   0.099872
+    0SOL     H2    2  -0.107209  -0.101137   0.022916
+    0SOL     H3    3  -0.025098  -0.165640   0.132534
+    1SOL     O4    4   0.051067   0.087375  -0.103273
+    1SOL     H5    5   0.124282   0.146791  -0.086795
+    1SOL     H6    6   0.050787   0.028192  -0.028043
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073972  -0.055228  -0.113801
+    0SOL     H2    2   0.026489  -0.031358  -0.034190
+    0SOL     H3    3   0.142528   0.011110  -0.121657
+    1SOL     O4    4  -0.074260   0.055189   0.104903
+    1SOL     H5    5  -0.009378   0.003305   0.152449
+    1SOL     H6    6  -0.158554   0.025351   0.139058
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024109   0.045490   0.127568
+    0SOL     H2    2   0.064613   0.080819   0.134085
+    0SOL     H3    3  -0.046939   0.021246   0.217309
+    1SOL     O4    4   0.024390  -0.042461  -0.137016
+    1SOL     H5    5  -0.007549  -0.024049  -0.048680
+    1SOL     H6    6  -0.013525  -0.127560  -0.158991
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055979  -0.136741  -0.026032
+    0SOL     H2    2   0.047080  -0.050545   0.014629
+    0SOL     H3    3  -0.018700  -0.186684   0.007000
+    1SOL     O4    4  -0.051789   0.128233   0.021391
+    1SOL     H5    5  -0.055524   0.176588   0.103914
+    1SOL     H6    6  -0.043726   0.195962  -0.045767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007714  -0.124255  -0.064129
+    0SOL     H2    2  -0.089991  -0.132591  -0.112331
+    0SOL     H3    3   0.013503  -0.213635  -0.037231
+    1SOL     O4    4   0.014491   0.130841   0.071468
+    1SOL     H5    5  -0.032708   0.195711   0.019252
+    1SOL     H6    6   0.012298   0.051167   0.018462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058094   0.129387  -0.047582
+    0SOL     H2    2   0.143981   0.123060  -0.089364
+    0SOL     H3    3   0.016723   0.044812  -0.064838
+    1SOL     O4    4  -0.060553  -0.117136   0.049450
+    1SOL     H5    5  -0.102578  -0.157279   0.125508
+    1SOL     H6    6  -0.020468  -0.190424   0.002714
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083117  -0.011517  -0.115835
+    0SOL     H2    2   0.158304  -0.052494  -0.073054
+    0SOL     H3    3   0.085442  -0.044842  -0.205537
+    1SOL     O4    4  -0.089087   0.012555   0.124432
+    1SOL     H5    5  -0.050357  -0.027204   0.046447
+    1SOL     H6    6  -0.101048   0.104594   0.101024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046135   0.010721   0.137219
+    0SOL     H2    2  -0.030115  -0.025251   0.182543
+    0SOL     H3    3   0.063300   0.093876   0.181411
+    1SOL     O4    4  -0.048010  -0.009275  -0.143941
+    1SOL     H5    5   0.033078   0.012343  -0.097901
+    1SOL     H6    6  -0.039433  -0.102182  -0.165318
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010046  -0.073411   0.133164
+    0SOL     H2    2  -0.033889   0.010451   0.147278
+    0SOL     H3    3  -0.057252  -0.129592   0.094731
+    1SOL     O4    4  -0.009725   0.071996  -0.131836
+    1SOL     H5    5   0.049370   0.032553  -0.195980
+    1SOL     H6    6   0.048294   0.108617  -0.065090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053134   0.137395   0.034860
+    0SOL     H2    2  -0.019901   0.113327  -0.022139
+    0SOL     H3    3   0.118849   0.173841  -0.024432
+    1SOL     O4    4  -0.059469  -0.135118  -0.029750
+    1SOL     H5    5   0.019257  -0.085783  -0.006715
+    1SOL     H6    6  -0.030543  -0.226303  -0.033041
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101639   0.071791   0.088781
+    0SOL     H2    2   0.053538   0.037380   0.013518
+    0SOL     H3    3   0.191465   0.081870   0.057285
+    1SOL     O4    4  -0.098669  -0.066744  -0.084127
+    1SOL     H5    5  -0.103337  -0.160154  -0.063753
+    1SOL     H6    6  -0.190004  -0.038283  -0.087321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082682  -0.011334   0.130289
+    0SOL     H2    2  -0.127992   0.072787   0.136034
+    0SOL     H3    3  -0.064182  -0.022307   0.037017
+    1SOL     O4    4   0.078849   0.005167  -0.123577
+    1SOL     H5    5   0.115726   0.093418  -0.119829
+    1SOL     H6    6   0.150126  -0.049224  -0.157095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099803   0.093718  -0.056451
+    0SOL     H2    2  -0.012981   0.133344  -0.049097
+    0SOL     H3    3  -0.145213   0.147311  -0.121474
+    1SOL     O4    4   0.100433  -0.099644   0.064689
+    1SOL     H5    5   0.073207  -0.169967   0.005734
+    1SOL     H6    6   0.060812  -0.020707   0.027792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.105958   0.106517   0.009251
+    0SOL     H2    2  -0.144125   0.045523   0.072380
+    0SOL     H3    3  -0.077776   0.181208   0.062066
+    1SOL     O4    4   0.110425  -0.106579  -0.010970
+    1SOL     H5    5   0.039066  -0.053570  -0.046470
+    1SOL     H6    6   0.116258  -0.181644  -0.070076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037775   0.032846  -0.151848
+    0SOL     H2    2  -0.017091  -0.060613  -0.151592
+    0SOL     H3    3  -0.013585   0.063019  -0.064288
+    1SOL     O4    4   0.028195  -0.030200   0.147547
+    1SOL     H5    5   0.091338  -0.086472   0.102729
+    1SOL     H6    6   0.080324   0.043178   0.180113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.096475   0.089085  -0.072340
+    0SOL     H2    2   0.145724   0.101123   0.008851
+    0SOL     H3    3   0.110328   0.170296  -0.121077
+    1SOL     O4    4  -0.102187  -0.095467   0.076395
+    1SOL     H5    5  -0.047483  -0.021523   0.049896
+    1SOL     H6    6  -0.115961  -0.145228  -0.004206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024453  -0.151351  -0.044455
+    0SOL     H2    2  -0.033703  -0.171369   0.048690
+    0SOL     H3    3  -0.077777  -0.072947  -0.057563
+    1SOL     O4    4   0.023455   0.143801   0.037545
+    1SOL     H5    5   0.026214   0.239151   0.029607
+    1SOL     H6    6   0.102469   0.121520   0.086766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050463  -0.143593   0.044396
+    0SOL     H2    2  -0.012061  -0.212290   0.067499
+    0SOL     H3    3  -0.002064  -0.077535  -0.000765
+    1SOL     O4    4  -0.037066   0.145603  -0.042195
+    1SOL     H5    5  -0.107809   0.143434   0.022249
+    1SOL     H6    6  -0.077565   0.114954  -0.123329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025865   0.158872   0.015931
+    0SOL     H2    2   0.029349   0.085425  -0.045353
+    0SOL     H3    3   0.078291   0.130231   0.090721
+    1SOL     O4    4  -0.024769  -0.150904  -0.011989
+    1SOL     H5    5  -0.032859  -0.241542  -0.041682
+    1SOL     H6    6  -0.088943  -0.102735  -0.064179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.156999  -0.028982   0.024458
+    0SOL     H2    2  -0.199671   0.011521  -0.051047
+    0SOL     H3    3  -0.064111  -0.030792   0.001415
+    1SOL     O4    4   0.150663   0.032408  -0.021439
+    1SOL     H5    5   0.178639  -0.047460  -0.066170
+    1SOL     H6    6   0.178494   0.020091   0.069314
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085134  -0.128297  -0.053945
+    0SOL     H2    2  -0.057023  -0.188997   0.014521
+    0SOL     H3    3  -0.013244  -0.065535  -0.061370
+    1SOL     O4    4   0.077326   0.129535   0.043576
+    1SOL     H5    5   0.070528   0.193406   0.114546
+    1SOL     H6    6   0.115728   0.052054   0.084617
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059615  -0.093149  -0.123858
+    0SOL     H2    2  -0.033847  -0.075750  -0.112702
+    0SOL     H3    3   0.093366  -0.101082  -0.034638
+    1SOL     O4    4  -0.059692   0.087269   0.119526
+    1SOL     H5    5  -0.045276   0.125688   0.033047
+    1SOL     H6    6  -0.011407   0.144207   0.179433
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140058  -0.010081   0.084521
+    0SOL     H2    2  -0.093093   0.033861   0.013629
+    0SOL     H3    3  -0.188440  -0.080438   0.041261
+    1SOL     O4    4   0.141959   0.018616  -0.075441
+    1SOL     H5    5   0.124007  -0.054147  -0.015896
+    1SOL     H6    6   0.130295  -0.018504  -0.162896
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069078   0.088411   0.108503
+    0SOL     H2    2   0.054512   0.182213   0.096200
+    0SOL     H3    3   0.162268   0.081095   0.129105
+    1SOL     O4    4  -0.079799  -0.090512  -0.109863
+    1SOL     H5    5  -0.012749  -0.054667  -0.051711
+    1SOL     H6    6  -0.037338  -0.165008  -0.152404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122863  -0.070676  -0.072509
+    0SOL     H2    2   0.182548  -0.048764  -0.144062
+    0SOL     H3    3   0.156745  -0.022145   0.002718
+    1SOL     O4    4  -0.129989   0.062738   0.076507
+    1SOL     H5    5  -0.159797   0.070274  -0.014141
+    1SOL     H6    6  -0.063131   0.130645   0.085509
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061505   0.026163  -0.140937
+    0SOL     H2    2   0.001463   0.054369  -0.207283
+    0SOL     H3    3  -0.138663  -0.000543  -0.190896
+    1SOL     O4    4   0.067240  -0.031533   0.149156
+    1SOL     H5    5   0.021919  -0.020847   0.065525
+    1SOL     H6    6   0.034190   0.039877   0.203659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063733   0.048696  -0.142709
+    0SOL     H2    2  -0.057113  -0.035130  -0.188445
+    0SOL     H3    3   0.026869   0.078082  -0.133227
+    1SOL     O4    4   0.058111  -0.051576   0.141082
+    1SOL     H5    5  -0.017776   0.005637   0.152495
+    1SOL     H6    6   0.127663  -0.009567   0.191678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110217   0.048159   0.102645
+    0SOL     H2    2   0.111736   0.119841   0.166062
+    0SOL     H3    3   0.132101  -0.029677   0.153879
+    1SOL     O4    4  -0.111596  -0.042525  -0.111191
+    1SOL     H5    5  -0.039339  -0.105272  -0.113193
+    1SOL     H6    6  -0.182042  -0.088494  -0.065513
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079107  -0.069603  -0.131372
+    0SOL     H2    2  -0.011551  -0.132828  -0.155888
+    0SOL     H3    3  -0.045713  -0.028507  -0.051633
+    1SOL     O4    4   0.075096   0.065043   0.125620
+    1SOL     H5    5   0.100662   0.152796   0.097193
+    1SOL     H6    6   0.015205   0.080012   0.198773
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.170634  -0.044105   0.003394
+    0SOL     H2    2   0.078251  -0.020349   0.011357
+    0SOL     H3    3   0.207039   0.020912  -0.056687
+    1SOL     O4    4  -0.168490   0.036236  -0.005872
+    1SOL     H5    5  -0.165621  -0.005555   0.080195
+    1SOL     H6    6  -0.151846   0.128819   0.011837
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136765  -0.032911  -0.104927
+    0SOL     H2    2  -0.193446   0.044077  -0.109667
+    0SOL     H3    3  -0.054692  -0.000064  -0.068220
+    1SOL     O4    4   0.136293   0.026226   0.097519
+    1SOL     H5    5   0.178772   0.097895   0.144651
+    1SOL     H6    6   0.087862  -0.021450   0.164927
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.146226   0.007503   0.089153
+    0SOL     H2    2   0.149270  -0.011490   0.182921
+    0SOL     H3    3   0.147308   0.103077   0.083979
+    1SOL     O4    4  -0.147815  -0.015566  -0.099606
+    1SOL     H5    5  -0.122703   0.076445  -0.091494
+    1SOL     H6    6  -0.148237  -0.048346  -0.009675
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067178  -0.113596   0.109386
+    0SOL     H2    2   0.140959  -0.166880   0.079729
+    0SOL     H3    3   0.102139  -0.062840   0.182624
+    1SOL     O4    4  -0.073663   0.115641  -0.118081
+    1SOL     H5    5  -0.106149   0.163603  -0.041880
+    1SOL     H6    6  -0.044455   0.031567  -0.082856
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051328   0.133405   0.102141
+    0SOL     H2    2   0.103119   0.156467   0.025017
+    0SOL     H3    3   0.114775   0.096224   0.163414
+    1SOL     O4    4  -0.052653  -0.130570  -0.102296
+    1SOL     H5    5  -0.099598  -0.198811  -0.150272
+    1SOL     H6    6  -0.114843  -0.100805  -0.035898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.142756  -0.086067   0.070650
+    0SOL     H2    2  -0.162983   0.004170   0.045942
+    0SOL     H3    3  -0.108649  -0.125816  -0.009469
+    1SOL     O4    4   0.141614   0.080562  -0.060122
+    1SOL     H5    5   0.074050   0.121188  -0.114407
+    1SOL     H6    6   0.222821   0.093661  -0.109072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034357   0.003520   0.171615
+    0SOL     H2    2  -0.062139   0.095087   0.169193
+    0SOL     H3    3  -0.086246  -0.035449   0.241980
+    1SOL     O4    4   0.034184  -0.007612  -0.170673
+    1SOL     H5    5   0.039477  -0.048996  -0.256823
+    1SOL     H6    6   0.109583   0.051279  -0.167665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.173684   0.043823  -0.042564
+    0SOL     H2    2   0.078308   0.039127  -0.035960
+    0SOL     H3    3   0.194330  -0.001379  -0.124373
+    1SOL     O4    4  -0.166376  -0.034337   0.047642
+    1SOL     H5    5  -0.225335  -0.064722  -0.021372
+    1SOL     H6    6  -0.155292  -0.110251   0.104882
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089341   0.079399  -0.134969
+    0SOL     H2    2  -0.024211   0.012659  -0.156560
+    0SOL     H3    3  -0.073513   0.149661  -0.198017
+    1SOL     O4    4   0.081311  -0.082752   0.145388
+    1SOL     H5    5   0.042429  -0.035744   0.071627
+    1SOL     H6    6   0.175677  -0.077165   0.130349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001573   0.147228  -0.112038
+    0SOL     H2    2  -0.065489   0.186703  -0.056300
+    0SOL     H3    3  -0.044208   0.077452  -0.158917
+    1SOL     O4    4   0.004650  -0.148326   0.106652
+    1SOL     H5    5  -0.002529  -0.053744   0.119499
+    1SOL     H6    6   0.019668  -0.183397   0.194440
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112994  -0.142195  -0.070394
+    0SOL     H2    2   0.124797  -0.080086  -0.142265
+    0SOL     H3    3   0.021729  -0.131035  -0.043776
+    1SOL     O4    4  -0.106262   0.140355   0.067871
+    1SOL     H5    5  -0.198447   0.127551   0.090240
+    1SOL     H6    6  -0.058343   0.108131   0.144210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.144043  -0.064454  -0.107157
+    0SOL     H2    2   0.193266  -0.061740  -0.189205
+    0SOL     H3    3   0.056951  -0.032210  -0.130342
+    1SOL     O4    4  -0.137550   0.057071   0.114763
+    1SOL     H5    5  -0.115047   0.149266   0.102274
+    1SOL     H6    6  -0.233056   0.054663   0.108831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.143870  -0.143327  -0.008407
+    0SOL     H2    2  -0.209906  -0.108894  -0.068540
+    0SOL     H3    3  -0.104043  -0.065522   0.030612
+    1SOL     O4    4   0.138947   0.139294   0.011139
+    1SOL     H5    5   0.169854   0.082443  -0.059394
+    1SOL     H6    6   0.217198   0.157833   0.063055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.159386   0.117735  -0.061180
+    0SOL     H2    2   0.217018   0.043987  -0.081233
+    0SOL     H3    3   0.071856   0.079258  -0.056680
+    1SOL     O4    4  -0.157590  -0.111545   0.056441
+    1SOL     H5    5  -0.123841  -0.054909   0.125836
+    1SOL     H6    6  -0.206054  -0.179908   0.102702
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.160176  -0.116843  -0.044907
+    0SOL     H2    2  -0.242443  -0.165447  -0.039247
+    0SOL     H3    3  -0.182485  -0.028430  -0.015793
+    1SOL     O4    4   0.161050   0.115451   0.044366
+    1SOL     H5    5   0.191880   0.045034  -0.012672
+    1SOL     H6    6   0.240236   0.163986   0.067523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.197161   0.078947   0.004354
+    0SOL     H2    2   0.280452   0.039772  -0.021921
+    0SOL     H3    3   0.155634   0.012456   0.059278
+    1SOL     O4    4  -0.199658  -0.073799   0.001064
+    1SOL     H5    5  -0.251004  -0.012285  -0.051299
+    1SOL     H6    6  -0.147253  -0.121913  -0.062975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026965   0.072884  -0.207428
+    0SOL     H2    2  -0.003093  -0.018530  -0.192070
+    0SOL     H3    3  -0.078968   0.097297  -0.130864
+    1SOL     O4    4   0.032393  -0.063821   0.200938
+    1SOL     H5    5   0.020644  -0.142739   0.148060
+    1SOL     H6    6  -0.027689  -0.075118   0.274592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123692  -0.115471  -0.127172
+    0SOL     H2    2  -0.211097  -0.107219  -0.165311
+    0SOL     H3    3  -0.134543  -0.178128  -0.055628
+    1SOL     O4    4   0.123389   0.115862   0.124453
+    1SOL     H5    5   0.184268   0.129865   0.051927
+    1SOL     H6    6   0.168675   0.151291   0.200980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.169663  -0.128310   0.009104
+    0SOL     H2    2  -0.113039  -0.193905   0.049764
+    0SOL     H3    3  -0.218769  -0.176797  -0.057229
+    1SOL     O4    4   0.166477   0.137976  -0.012943
+    1SOL     H5    5   0.115333   0.093460   0.054622
+    1SOL     H6    6   0.257626   0.121648   0.011296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000560  -0.015662   0.211064
+    0SOL     H2    2   0.093858  -0.024656   0.198153
+    0SOL     H3    3  -0.010389   0.002351   0.304559
+    1SOL     O4    4  -0.009227   0.013847  -0.221280
+    1SOL     H5    5  -0.014047   0.079753  -0.152031
+    1SOL     H6    6   0.073209  -0.032019  -0.205062
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021420  -0.202317  -0.093026
+    0SOL     H2    2   0.069863  -0.203544  -0.064249
+    0SOL     H3    3  -0.059994  -0.280665  -0.053834
+    1SOL     O4    4   0.020045   0.206697   0.095513
+    1SOL     H5    5  -0.047233   0.153287   0.053283
+    1SOL     H6    6   0.059930   0.256101   0.023883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.176249   0.124189  -0.050149
+    0SOL     H2    2   0.167427   0.219502  -0.050160
+    0SOL     H3    3   0.270337   0.108796  -0.058676
+    1SOL     O4    4  -0.175835  -0.125538   0.049015
+    1SOL     H5    5  -0.206085  -0.210583   0.017161
+    1SOL     H6    6  -0.242964  -0.098041   0.111465
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019012  -0.159979  -0.158554
+    0SOL     H2    2   0.053109  -0.162162  -0.247969
+    0SOL     H3    3  -0.075010  -0.145436  -0.169072
+    1SOL     O4    4  -0.013628   0.160659   0.157327
+    1SOL     H5    5   0.012517   0.202545   0.239328
+    1SOL     H6    6  -0.080972   0.097654   0.182968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063873  -0.211921   0.081958
+    0SOL     H2    2  -0.034524  -0.266726   0.009176
+    0SOL     H3    3   0.011927  -0.157397   0.103029
+    1SOL     O4    4   0.058208   0.205429  -0.077932
+    1SOL     H5    5   0.088345   0.278141  -0.023461
+    1SOL     H6    6   0.011476   0.247339  -0.150195
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.142176  -0.190709   0.024507
+    0SOL     H2    2   0.065408  -0.196354  -0.032390
+    0SOL     H3    3   0.204171  -0.136388  -0.024157
+    1SOL     O4    4  -0.135353   0.186618  -0.013484
+    1SOL     H5    5  -0.136238   0.230249  -0.098678
+    1SOL     H6    6  -0.226309   0.160610   0.001105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091142   0.182217   0.151508
+    0SOL     H2    2  -0.093347   0.104627   0.095497
+    0SOL     H3    3  -0.166596   0.172084   0.209529
+    1SOL     O4    4   0.096929  -0.182562  -0.147344
+    1SOL     H5    5   0.068544  -0.093805  -0.125465
+    1SOL     H6    6   0.100262  -0.183798  -0.242998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135196  -0.207711  -0.027898
+    0SOL     H2    2  -0.191632  -0.196051  -0.104327
+    0SOL     H3    3  -0.195833  -0.222453   0.044684
+    1SOL     O4    4   0.144420   0.211121   0.033074
+    1SOL     H5    5   0.164944   0.218729  -0.060110
+    1SOL     H6    6   0.078446   0.141913   0.037544
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000700  -0.249838   0.074866
+    0SOL     H2    2  -0.030177  -0.170716   0.029774
+    0SOL     H3    3   0.078723  -0.222965   0.121043
+    1SOL     O4    4   0.002277   0.238447  -0.072641
+    1SOL     H5    5   0.030825   0.327357  -0.093673
+    1SOL     H6    6  -0.092341   0.239575  -0.087085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111998   0.187345  -0.158938
+    0SOL     H2    2  -0.018346   0.193224  -0.140038
+    0SOL     H3    3  -0.128905   0.093521  -0.167519
+    1SOL     O4    4   0.109399  -0.176625   0.152978
+    1SOL     H5    5   0.135407  -0.268660   0.156909
+    1SOL     H6    6   0.051145  -0.164921   0.228023
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.152973  -0.093879  -0.197228
+    0SOL     H2    2  -0.132994  -0.184915  -0.175419
+    0SOL     H3    3  -0.228754  -0.099227  -0.255460
+    1SOL     O4    4   0.162834   0.098161   0.199346
+    1SOL     H5    5   0.096889   0.051225   0.250440
+    1SOL     H6    6   0.112382   0.157959   0.144200
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137715  -0.095044  -0.215533
+    0SOL     H2    2   0.110132  -0.148894  -0.141361
+    0SOL     H3    3   0.085812  -0.127285  -0.289214
+    1SOL     O4    4  -0.128729   0.104073   0.220702
+    1SOL     H5    5  -0.112746   0.016007   0.186771
+    1SOL     H6    6  -0.198667   0.138796   0.165337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.217192   0.153856  -0.139384
+    0SOL     H2    2  -0.211958   0.059963  -0.157246
+    0SOL     H3    3  -0.196412   0.161769  -0.046283
+    1SOL     O4    4   0.210890  -0.152907   0.138548
+    1SOL     H5    5   0.288577  -0.113592   0.178315
+    1SOL     H6    6   0.218626  -0.132380   0.045376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.158136   0.252749  -0.005729
+    0SOL     H2    2   0.230235   0.288754   0.045920
+    0SOL     H3    3   0.104966   0.204554   0.057615
+    1SOL     O4    4  -0.162642  -0.256268  -0.001185
+    1SOL     H5    5  -0.170521  -0.162578  -0.019142
+    1SOL     H6    6  -0.076741  -0.265672   0.039984
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072125  -0.215809   0.203256
+    0SOL     H2    2   0.007465  -0.173683   0.235708
+    0SOL     H3    3  -0.118914  -0.242811   0.282275
+    1SOL     O4    4   0.068026   0.213564  -0.215672
+    1SOL     H5    5   0.153939   0.185868  -0.183824
+    1SOL     H6    6   0.034992   0.272253  -0.147652
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064723  -0.301514  -0.123749
+    0SOL     H2    2  -0.064796  -0.363702  -0.050983
+    0SOL     H3    3  -0.136843  -0.241674  -0.104250
+    1SOL     O4    4   0.072638   0.301022   0.121761
+    1SOL     H5    5   0.067510   0.362748   0.048782
+    1SOL     H6    6  -0.011395   0.255210   0.120396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.208719   0.247142  -0.097623
+    0SOL     H2    2  -0.179422   0.337820  -0.106650
+    0SOL     H3    3  -0.129512   0.194943  -0.110423
+    1SOL     O4    4   0.206407  -0.243962   0.102559
+    1SOL     H5    5   0.166169  -0.232209   0.016507
+    1SOL     H6    6   0.194329  -0.336861   0.122213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.235646  -0.200502  -0.135632
+    0SOL     H2    2   0.165006  -0.139868  -0.157898
+    0SOL     H3    3   0.278877  -0.218665  -0.219079
+    1SOL     O4    4  -0.233466   0.202465   0.146334
+    1SOL     H5    5  -0.273663   0.213629   0.060184
+    1SOL     H6    6  -0.206878   0.110542   0.148680
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134748  -0.059302   0.311737
+    0SOL     H2    2  -0.054988  -0.043031   0.261380
+    0SOL     H3    3  -0.192433   0.013808   0.289609
+    1SOL     O4    4   0.129937   0.059903  -0.307528
+    1SOL     H5    5   0.179597   0.019808  -0.236194
+    1SOL     H6    6   0.143385   0.001318  -0.382022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.324403   0.069386   0.111720
+    0SOL     H2    2   0.310556   0.134790   0.180224
+    0SOL     H3    3   0.406107   0.025933   0.136188
+    1SOL     O4    4  -0.329520  -0.067610  -0.111609
+    1SOL     H5    5  -0.246385  -0.111625  -0.129315
+    1SOL     H6    6  -0.381072  -0.080782  -0.191178
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.354371  -0.017261   0.040500
+    0SOL     H2    2   0.437713  -0.055278   0.012732
+    0SOL     H3    3   0.289390  -0.084610   0.020400
+    1SOL     O4    4  -0.358120   0.024292  -0.032649
+    1SOL     H5    5  -0.343507  -0.061678  -0.072120
+    1SOL     H6    6  -0.317262   0.085883  -0.093473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.174912   0.077772   0.341243
+    0SOL     H2    2  -0.250014   0.029110   0.375214
+    0SOL     H3    3  -0.160097   0.041224   0.254024
+    1SOL     O4    4   0.181591  -0.067399  -0.339693
+    1SOL     H5    5   0.179992  -0.124120  -0.262606
+    1SOL     H6    6   0.121785  -0.109310  -0.401572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.379048  -0.021019  -0.164352
+    0SOL     H2    2   0.431398  -0.090698  -0.203934
+    0SOL     H3    3   0.406909  -0.019129  -0.072797
+    1SOL     O4    4  -0.382665   0.030705   0.163453
+    1SOL     H5    5  -0.425912  -0.043682   0.205389
+    1SOL     H6    6  -0.366433   0.001568   0.073732
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.354783  -0.178521  -0.144805
+    0SOL     H2    2   0.274972  -0.127878  -0.129716
+    0SOL     H3    3   0.419672  -0.113560  -0.171857
+    1SOL     O4    4  -0.355352   0.168538   0.148884
+    1SOL     H5    5  -0.402740   0.245858   0.118254
+    1SOL     H6    6  -0.273170   0.169760   0.099824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.184247   0.331334  -0.251318
+    0SOL     H2    2   0.246278   0.385372  -0.300250
+    0SOL     H3    3   0.144603   0.391441  -0.188248
+    1SOL     O4    4  -0.184840  -0.337554   0.257468
+    1SOL     H5    5  -0.261991  -0.361962   0.206338
+    1SOL     H6    6  -0.118549  -0.315739   0.191955
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.397231   0.254110   0.043597
+    0SOL     H2    2  -0.336607   0.326660   0.028644
+    0SOL     H3    3  -0.358301   0.204801   0.115814
+    1SOL     O4    4   0.390976  -0.259078  -0.051469
+    1SOL     H5    5   0.374176  -0.165462  -0.040687
+    1SOL     H6    6   0.425383  -0.287206   0.033309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116320  -0.454912  -0.137429
+    0SOL     H2    2   0.119700  -0.431520  -0.044673
+    0SOL     H3    3   0.207575  -0.452225  -0.166197
+    1SOL     O4    4  -0.117776   0.448677   0.130837
+    1SOL     H5    5  -0.094312   0.493536   0.212075
+    1SOL     H6    6  -0.200323   0.489085   0.104089
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.286733   0.423090  -0.019769
+    0SOL     H2    2  -0.379493   0.399909  -0.015246
+    0SOL     H3    3  -0.266493   0.422941  -0.113324
+    1SOL     O4    4   0.289743  -0.427066   0.028018
+    1SOL     H5    5   0.348240  -0.356306   0.055100
+    1SOL     H6    6   0.250367  -0.395804  -0.053435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108581   0.124162   0.550193
+    0SOL     H2    2  -0.096656   0.154812   0.460300
+    0SOL     H3    3  -0.090188   0.200911   0.604355
+    1SOL     O4    4   0.112485  -0.132739  -0.549803
+    1SOL     H5    5   0.051704  -0.149512  -0.477785
+    1SOL     H6    6   0.073846  -0.059069  -0.597153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.475417   0.404610   0.071872
+    0SOL     H2    2   0.513340   0.462594   0.005826
+    0SOL     H3    3   0.533548   0.328576   0.073278
+    1SOL     O4    4  -0.485597  -0.407184  -0.064718
+    1SOL     H5    5  -0.505408  -0.330138  -0.117951
+    1SOL     H6    6  -0.390644  -0.417233  -0.071446
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026663  -0.110841  -0.068396
+    0SOL     H2    2   0.041441  -0.031654  -0.120100
+    0SOL     H3    3   0.112423  -0.153155  -0.064259
+    1SOL     O4    4  -0.035507   0.114263   0.071819
+    1SOL     H5    5  -0.055937   0.038762   0.016642
+    1SOL     H6    6   0.048804   0.092730   0.111698
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049507   0.112698   0.056003
+    0SOL     H2    2  -0.009087   0.145577  -0.024293
+    0SOL     H3    3   0.021141   0.113687   0.120580
+    1SOL     O4    4   0.042113  -0.119523  -0.058694
+    1SOL     H5    5   0.125489  -0.118949  -0.011680
+    1SOL     H6    6   0.003502  -0.033926  -0.040128
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118257  -0.064775   0.035277
+    0SOL     H2    2   0.093790  -0.154109   0.011128
+    0SOL     H3    3   0.046265  -0.010605   0.002948
+    1SOL     O4    4  -0.110777   0.065929  -0.038105
+    1SOL     H5    5  -0.167742   0.006893   0.011211
+    1SOL     H6    6  -0.088864   0.135487   0.023894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033830  -0.065791   0.109159
+    0SOL     H2    2  -0.005538  -0.046302   0.198501
+    0SOL     H3    3  -0.123633  -0.032958   0.104722
+    1SOL     O4    4   0.035148   0.067565  -0.116849
+    1SOL     H5    5   0.092003   0.001761  -0.156845
+    1SOL     H6    6   0.023902   0.037872  -0.026548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006588   0.083031   0.112794
+    0SOL     H2    2  -0.088744   0.105341   0.069033
+    0SOL     H3    3  -0.031625   0.019575   0.179942
+    1SOL     O4    4   0.011732  -0.076572  -0.118529
+    1SOL     H5    5  -0.009363  -0.065490  -0.025823
+    1SOL     H6    6   0.037138  -0.168511  -0.126537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035647  -0.100555  -0.089238
+    0SOL     H2    2  -0.126077  -0.131569  -0.084478
+    0SOL     H3    3  -0.028137  -0.061765  -0.176424
+    1SOL     O4    4   0.044816   0.101022   0.098311
+    1SOL     H5    5   0.041788   0.034503   0.029548
+    1SOL     H6    6  -0.038896   0.146868   0.091056
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091099   0.107539  -0.046321
+    0SOL     H2    2   0.069690   0.148793   0.037358
+    0SOL     H3    3   0.074573   0.014342  -0.032054
+    1SOL     O4    4  -0.084090  -0.100968   0.044155
+    1SOL     H5    5  -0.090600  -0.194478   0.024766
+    1SOL     H6    6  -0.163783  -0.063149   0.006993
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097819   0.040078   0.093954
+    0SOL     H2    2   0.192901   0.029235   0.091961
+    0SOL     H3    3   0.066234  -0.034428   0.145077
+    1SOL     O4    4  -0.107273  -0.035747  -0.099050
+    1SOL     H5    5  -0.054233  -0.113556  -0.081879
+    1SOL     H6    6  -0.051474   0.037551  -0.073046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139724  -0.017820  -0.036620
+    0SOL     H2    2  -0.073187   0.032198   0.010638
+    0SOL     H3    3  -0.215693  -0.017708   0.021612
+    1SOL     O4    4   0.133984   0.014668   0.033337
+    1SOL     H5    5   0.171527  -0.037237  -0.037788
+    1SOL     H6    6   0.204861   0.072994   0.060482
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095527   0.076511  -0.071740
+    0SOL     H2    2  -0.018044   0.070904  -0.127662
+    0SOL     H3    3  -0.169261   0.076024  -0.132776
+    1SOL     O4    4   0.097665  -0.078833   0.083830
+    1SOL     H5    5   0.119162  -0.093178  -0.008336
+    1SOL     H6    6   0.026723  -0.014591   0.082209
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020930  -0.059215   0.137397
+    0SOL     H2    2   0.031684  -0.019126   0.068210
+    0SOL     H3    3  -0.048158  -0.143483   0.101066
+    1SOL     O4    4   0.018853   0.063264  -0.124065
+    1SOL     H5    5   0.007029  -0.020625  -0.168619
+    1SOL     H6    6   0.039357   0.125034  -0.194253
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093635  -0.091771   0.058246
+    0SOL     H2    2   0.132032  -0.048507   0.134511
+    0SOL     H3    3   0.168795  -0.124725   0.008979
+    1SOL     O4    4  -0.100452   0.091744  -0.066501
+    1SOL     H5    5  -0.042725   0.035046  -0.015362
+    1SOL     H6    6  -0.146213   0.144621  -0.001139
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019896  -0.025021   0.149022
+    0SOL     H2    2   0.047185   0.005728   0.062581
+    0SOL     H3    3   0.008401  -0.119451   0.138377
+    1SOL     O4    4  -0.015843   0.025842  -0.142279
+    1SOL     H5    5  -0.107558  -0.001496  -0.140452
+    1SOL     H6    6  -0.018545   0.116989  -0.171387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070527   0.102649   0.087020
+    0SOL     H2    2  -0.017028   0.062562   0.018513
+    0SOL     H3    3  -0.156804   0.113286   0.046952
+    1SOL     O4    4   0.070455  -0.094503  -0.083269
+    1SOL     H5    5   0.155840  -0.136416  -0.093985
+    1SOL     H6    6   0.015929  -0.161372  -0.041824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120465   0.027614   0.086426
+    0SOL     H2    2   0.105622   0.028609   0.180983
+    0SOL     H3    3   0.033456   0.039524   0.048348
+    1SOL     O4    4  -0.113132  -0.023382  -0.088419
+    1SOL     H5    5  -0.170889  -0.074586  -0.031810
+    1SOL     H6    6  -0.097633  -0.079776  -0.164194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108312  -0.002120  -0.107976
+    0SOL     H2    2   0.160454   0.065783  -0.065166
+    0SOL     H3    3   0.017644   0.020833  -0.087610
+    1SOL     O4    4  -0.110371   0.000402   0.106080
+    1SOL     H5    5  -0.018509  -0.002467   0.132829
+    1SOL     H6    6  -0.118898  -0.070120   0.041922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043875  -0.124185  -0.054317
+    0SOL     H2    2  -0.133875  -0.154931  -0.043504
+    0SOL     H3    3  -0.019349  -0.152268  -0.142477
+    1SOL     O4    4   0.053605   0.128117   0.061172
+    1SOL     H5    5   0.014204   0.057864   0.009457
+    1SOL     H6    6  -0.016084   0.193077   0.070441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053292   0.132148   0.033515
+    0SOL     H2    2   0.107322   0.211157   0.034333
+    0SOL     H3    3   0.071533   0.091476  -0.051193
+    1SOL     O4    4  -0.059597  -0.136062  -0.034708
+    1SOL     H5    5   0.013441  -0.174564   0.013721
+    1SOL     H6    6  -0.092653  -0.066939   0.022666
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113099   0.097272   0.010073
+    0SOL     H2    2   0.133198   0.177268   0.058642
+    0SOL     H3    3   0.031054   0.066018   0.048207
+    1SOL     O4    4  -0.106343  -0.095190  -0.020416
+    1SOL     H5    5  -0.062856  -0.158851   0.036317
+    1SOL     H6    6  -0.198840  -0.100953   0.003527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029968   0.017463   0.147864
+    0SOL     H2    2   0.024768  -0.036750   0.204672
+    0SOL     H3    3   0.026486   0.039060   0.073642
+    1SOL     O4    4   0.020347  -0.009632  -0.144773
+    1SOL     H5    5   0.034317  -0.089285  -0.093561
+    1SOL     H6    6   0.063679  -0.026929  -0.228352
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065673   0.102666  -0.083260
+    0SOL     H2    2  -0.108610   0.133194  -0.003343
+    0SOL     H3    3  -0.026368   0.181384  -0.120956
+    1SOL     O4    4   0.068248  -0.114085   0.081574
+    1SOL     H5    5   0.022498  -0.081011   0.004274
+    1SOL     H6    6   0.063584  -0.042329   0.144754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068503   0.128165   0.032029
+    0SOL     H2    2  -0.137187   0.100909   0.092872
+    0SOL     H3    3  -0.004766   0.174027   0.086770
+    1SOL     O4    4   0.075415  -0.129489  -0.040356
+    1SOL     H5    5   0.036257  -0.049058  -0.006299
+    1SOL     H6    6   0.010159  -0.197270  -0.022760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085184  -0.065404   0.114049
+    0SOL     H2    2  -0.077338  -0.013462   0.034032
+    0SOL     H3    3  -0.015873  -0.131038   0.106947
+    1SOL     O4    4   0.074701   0.067210  -0.108977
+    1SOL     H5    5   0.145121   0.131607  -0.101477
+    1SOL     H6    6   0.119771  -0.016250  -0.121843
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042802   0.120464   0.082047
+    0SOL     H2    2  -0.015491   0.192308   0.106598
+    0SOL     H3    3  -0.006117   0.041227   0.104202
+    1SOL     O4    4  -0.039395  -0.125665  -0.081107
+    1SOL     H5    5  -0.072026  -0.035797  -0.076489
+    1SOL     H6    6   0.032690  -0.121822  -0.143966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104918   0.067299   0.095837
+    0SOL     H2    2   0.017619   0.073600   0.057089
+    0SOL     H3    3   0.108186  -0.020658   0.133456
+    1SOL     O4    4  -0.100568  -0.055844  -0.094800
+    1SOL     H5    5  -0.029060  -0.118179  -0.082022
+    1SOL     H6    6  -0.172129  -0.108412  -0.130549
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127284  -0.020371   0.083914
+    0SOL     H2    2  -0.153565  -0.109433   0.107142
+    0SOL     H3    3  -0.034922  -0.028071   0.059994
+    1SOL     O4    4   0.120620   0.025051  -0.079226
+    1SOL     H5    5   0.090318   0.053122  -0.165575
+    1SOL     H6    6   0.215548   0.017036  -0.088541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048080   0.130837  -0.050174
+    0SOL     H2    2  -0.077650   0.115342  -0.139884
+    0SOL     H3    3  -0.058798   0.225081  -0.037314
+    1SOL     O4    4   0.044257  -0.135687   0.057042
+    1SOL     H5    5   0.090796  -0.193780  -0.003138
+    1SOL     H6    6   0.093409  -0.053607   0.053990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020989   0.138417   0.076536
+    0SOL     H2    2  -0.011030   0.182711  -0.002046
+    0SOL     H3    3  -0.002529   0.046542   0.063563
+    1SOL     O4    4  -0.013546  -0.135499  -0.076205
+    1SOL     H5    5  -0.104970  -0.109068  -0.086471
+    1SOL     H6    6  -0.008325  -0.169685   0.013050
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025233  -0.149896   0.035681
+    0SOL     H2    2   0.066073  -0.184641  -0.043611
+    0SOL     H3    3   0.084469  -0.080567   0.064782
+    1SOL     O4    4  -0.025068   0.150397  -0.035826
+    1SOL     H5    5  -0.085537   0.200412   0.018986
+    1SOL     H6    6  -0.061681   0.061971  -0.037441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025217  -0.048031   0.151578
+    0SOL     H2    2   0.013821  -0.077692   0.061286
+    0SOL     H3    3   0.023248   0.047499   0.145887
+    1SOL     O4    4  -0.027532   0.047021  -0.140587
+    1SOL     H5    5   0.051890   0.074790  -0.186231
+    1SOL     H6    6  -0.060046  -0.026983  -0.191857
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140132  -0.034917  -0.064157
+    0SOL     H2    2   0.232501  -0.029689  -0.039602
+    0SOL     H3    3   0.093810   0.008944   0.007206
+    1SOL     O4    4  -0.141144   0.028779   0.052065
+    1SOL     H5    5  -0.209384   0.002847   0.113977
+    1SOL     H6    6  -0.103906   0.108639   0.089455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073135   0.101312  -0.107401
+    0SOL     H2    2   0.073663   0.007797  -0.086980
+    0SOL     H3    3  -0.007807   0.133996  -0.068127
+    1SOL     O4    4  -0.073780  -0.101364   0.103703
+    1SOL     H5    5  -0.047940  -0.042103   0.174292
+    1SOL     H6    6  -0.001644  -0.096832   0.040949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068688  -0.121335  -0.084890
+    0SOL     H2    2  -0.025767  -0.046944  -0.042628
+    0SOL     H3    3  -0.065286  -0.191262  -0.019613
+    1SOL     O4    4   0.071256   0.120025   0.074993
+    1SOL     H5    5   0.002858   0.186283   0.065305
+    1SOL     H6    6   0.049482   0.074796   0.156495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026265  -0.035060   0.153568
+    0SOL     H2    2  -0.025654  -0.130772   0.154684
+    0SOL     H3    3   0.065634  -0.010600   0.142680
+    1SOL     O4    4   0.018636   0.042057  -0.157292
+    1SOL     H5    5   0.113131   0.033762  -0.144478
+    1SOL     H6    6  -0.019741  -0.013940  -0.089809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060566  -0.106948  -0.116571
+    0SOL     H2    2  -0.014878  -0.163495  -0.054304
+    0SOL     H3    3  -0.038979  -0.018009  -0.088533
+    1SOL     O4    4   0.051155   0.106424   0.109522
+    1SOL     H5    5   0.072990   0.090557   0.201358
+    1SOL     H6    6   0.134063   0.095595   0.062925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067695  -0.088507  -0.117686
+    0SOL     H2    2  -0.029770  -0.167138  -0.078428
+    0SOL     H3    3  -0.075712  -0.109603  -0.210708
+    1SOL     O4    4   0.061183   0.093067   0.123135
+    1SOL     H5    5   0.080507   0.113099   0.031551
+    1SOL     H6    6   0.147071   0.086058   0.164806
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.154579   0.066452  -0.011587
+    0SOL     H2    2  -0.189209   0.101602  -0.093609
+    0SOL     H3    3  -0.077556   0.015989  -0.037725
+    1SOL     O4    4   0.149223  -0.060003   0.016311
+    1SOL     H5    5   0.236775  -0.074096   0.052344
+    1SOL     H6    6   0.117806  -0.147767  -0.005432
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013318  -0.161893  -0.003866
+    0SOL     H2    2   0.075712  -0.195412  -0.014467
+    0SOL     H3    3  -0.067740  -0.221716  -0.055070
+    1SOL     O4    4   0.014759   0.169669   0.008055
+    1SOL     H5    5  -0.062130   0.144871   0.059391
+    1SOL     H6    6   0.006667   0.119485  -0.073053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082097   0.139621   0.027107
+    0SOL     H2    2  -0.159947   0.193460   0.012856
+    0SOL     H3    3  -0.072728   0.135694   0.122287
+    1SOL     O4    4   0.081464  -0.147649  -0.033764
+    1SOL     H5    5   0.067266  -0.053004  -0.035545
+    1SOL     H6    6   0.171104  -0.157871  -0.001786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037757   0.126329   0.104330
+    0SOL     H2    2  -0.025664   0.125221   0.009383
+    0SOL     H3    3  -0.053043   0.218418   0.125502
+    1SOL     O4    4   0.040148  -0.135939  -0.096372
+    1SOL     H5    5   0.079480  -0.048674  -0.096918
+    1SOL     H6    6  -0.029230  -0.131405  -0.162163
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099454  -0.129858  -0.001140
+    0SOL     H2    2  -0.156820  -0.130892   0.075479
+    0SOL     H3    3  -0.138755  -0.192996  -0.061400
+    1SOL     O4    4   0.107231   0.139624   0.000021
+    1SOL     H5    5   0.122476   0.062933  -0.055192
+    1SOL     H6    6   0.048736   0.108286   0.069003
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099071   0.133998   0.062390
+    0SOL     H2    2  -0.031527   0.132802  -0.005424
+    0SOL     H3    3  -0.089985   0.049693   0.106801
+    1SOL     O4    4   0.093629  -0.128317  -0.055325
+    1SOL     H5    5   0.076094  -0.072166  -0.130836
+    1SOL     H6    6   0.135448  -0.206027  -0.092400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069397  -0.069488   0.143208
+    0SOL     H2    2   0.010839  -0.108598   0.078372
+    0SOL     H3    3   0.050956  -0.117233   0.224094
+    1SOL     O4    4  -0.065566   0.068624  -0.148734
+    1SOL     H5    5  -0.019774   0.077029  -0.065100
+    1SOL     H6    6  -0.103669   0.155091  -0.164028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063019  -0.103614   0.134089
+    0SOL     H2    2  -0.002254  -0.049680   0.083483
+    0SOL     H3    3  -0.119084  -0.144757   0.068314
+    1SOL     O4    4   0.064579   0.109336  -0.129558
+    1SOL     H5    5  -0.020199   0.066753  -0.116838
+    1SOL     H6    6   0.128314   0.046567  -0.095497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083061  -0.132224  -0.064228
+    0SOL     H2    2   0.087040  -0.158749  -0.156114
+    0SOL     H3    3   0.101735  -0.212341  -0.015291
+    1SOL     O4    4  -0.090015   0.140221   0.064795
+    1SOL     H5    5  -0.056893   0.133391   0.154341
+    1SOL     H6    6  -0.017238   0.110870   0.009983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074734  -0.053284   0.156562
+    0SOL     H2    2   0.006211  -0.092963   0.102779
+    0SOL     H3    3   0.146849  -0.037382   0.095662
+    1SOL     O4    4  -0.074282   0.049707  -0.145472
+    1SOL     H5    5  -0.153784   0.089974  -0.180406
+    1SOL     H6    6  -0.002826   0.094228  -0.191015
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153335   0.044273  -0.080433
+    0SOL     H2    2   0.164338  -0.048663  -0.100535
+    0SOL     H3    3   0.091158   0.075815  -0.146018
+    1SOL     O4    4  -0.153681  -0.043343   0.090251
+    1SOL     H5    5  -0.179556   0.017784   0.021284
+    1SOL     H6    6  -0.058579  -0.050183   0.081816
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029805   0.146078   0.109437
+    0SOL     H2    2  -0.111800   0.102317   0.086544
+    0SOL     H3    3   0.027946   0.129324   0.034963
+    1SOL     O4    4   0.025854  -0.139379  -0.103124
+    1SOL     H5    5   0.111407  -0.109363  -0.072432
+    1SOL     H6    6   0.042651  -0.226112  -0.139969
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058445  -0.104875  -0.134048
+    0SOL     H2    2   0.086067  -0.160887  -0.061509
+    0SOL     H3    3  -0.031947  -0.131071  -0.151524
+    1SOL     O4    4  -0.049918   0.113495   0.132471
+    1SOL     H5    5  -0.071343   0.042013   0.192417
+    1SOL     H6    6  -0.113338   0.104943   0.061287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043874   0.169202  -0.069440
+    0SOL     H2    2   0.059552   0.117556   0.009612
+    0SOL     H3    3  -0.051229   0.179471  -0.072930
+    1SOL     O4    4  -0.042628  -0.168025   0.070665
+    1SOL     H5    5   0.031452  -0.217660   0.035868
+    1SOL     H6    6  -0.058664  -0.099899   0.005365
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083549  -0.036500  -0.160816
+    0SOL     H2    2   0.144654  -0.093604  -0.114258
+    0SOL     H3    3   0.122052   0.050835  -0.153571
+    1SOL     O4    4  -0.086954   0.038911   0.162824
+    1SOL     H5    5  -0.154134  -0.029040   0.168460
+    1SOL     H6    6  -0.055048   0.033699   0.072729
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057849   0.059355  -0.162693
+    0SOL     H2    2   0.019674   0.121925  -0.224256
+    0SOL     H3    3   0.022506  -0.025425  -0.189629
+    1SOL     O4    4  -0.059212  -0.055151   0.168207
+    1SOL     H5    5   0.017752  -0.030069   0.219292
+    1SOL     H6    6  -0.029713  -0.129139   0.115123
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071322  -0.157627   0.063057
+    0SOL     H2    2  -0.106855  -0.241481   0.092522
+    0SOL     H3    3  -0.138394  -0.093531   0.086623
+    1SOL     O4    4   0.081138   0.158277  -0.070424
+    1SOL     H5    5   0.047542   0.232172  -0.019698
+    1SOL     H6    6   0.036120   0.081921  -0.034294
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094282  -0.074083  -0.156647
+    0SOL     H2    2  -0.107801  -0.073809  -0.061887
+    0SOL     H3    3  -0.011469  -0.120485  -0.168941
+    1SOL     O4    4   0.095719   0.078283   0.154295
+    1SOL     H5    5   0.009660   0.059284   0.191647
+    1SOL     H6    6   0.082231   0.074156   0.059620
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029553  -0.181869  -0.061651
+    0SOL     H2    2  -0.091430  -0.118300  -0.025700
+    0SOL     H3    3  -0.038109  -0.172670  -0.156543
+    1SOL     O4    4   0.029414   0.180413   0.060786
+    1SOL     H5    5   0.013375   0.166434   0.154112
+    1SOL     H6    6   0.118399   0.148111   0.046626
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.153067  -0.063404  -0.109557
+    0SOL     H2    2  -0.102448  -0.138944  -0.079661
+    0SOL     H3    3  -0.185913  -0.023181  -0.029148
+    1SOL     O4    4   0.151210   0.067657   0.109887
+    1SOL     H5    5   0.158541  -0.023942   0.083089
+    1SOL     H6    6   0.158934   0.117206   0.028355
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.177809   0.014005  -0.093767
+    0SOL     H2    2   0.097314   0.027961  -0.043886
+    0SOL     H3    3   0.203009  -0.076180  -0.073921
+    1SOL     O4    4  -0.180210  -0.007859   0.086279
+    1SOL     H5    5  -0.107185   0.047773   0.113385
+    1SOL     H6    6  -0.159165  -0.094155   0.121950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082891   0.079522   0.157742
+    0SOL     H2    2  -0.053457   0.170565   0.160407
+    0SOL     H3    3  -0.170710   0.083790   0.119901
+    1SOL     O4    4   0.085354  -0.083204  -0.162515
+    1SOL     H5    5   0.139331  -0.036441  -0.098781
+    1SOL     H6    6   0.046517  -0.155214  -0.112830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030518  -0.042887   0.185983
+    0SOL     H2    2   0.114576  -0.068192   0.147823
+    0SOL     H3    3   0.022357  -0.097314   0.264299
+    1SOL     O4    4  -0.029941   0.050499  -0.190827
+    1SOL     H5    5  -0.050283   0.022351  -0.101629
+    1SOL     H6    6  -0.108394   0.028973  -0.241266
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.174620  -0.036649  -0.077905
+    0SOL     H2    2   0.189304  -0.085319  -0.159010
+    0SOL     H3    3   0.250814   0.020781  -0.070250
+    1SOL     O4    4  -0.173986   0.037698   0.078143
+    1SOL     H5    5  -0.228219   0.100019   0.126489
+    1SOL     H6    6  -0.213559  -0.047576   0.096161
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069517   0.016100   0.196003
+    0SOL     H2    2   0.124690   0.089044   0.167763
+    0SOL     H3    3   0.004650   0.006666   0.126250
+    1SOL     O4    4  -0.070766  -0.025973  -0.193761
+    1SOL     H5    5  -0.126819   0.035040  -0.145825
+    1SOL     H6    6   0.014707   0.017032  -0.196472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.182278   0.002566   0.106161
+    0SOL     H2    2   0.148162  -0.077664   0.145677
+    0SOL     H3    3   0.105358   0.045412   0.068612
+    1SOL     O4    4  -0.178037  -0.004309  -0.111710
+    1SOL     H5    5  -0.187142  -0.030042  -0.019965
+    1SOL     H6    6  -0.136474   0.081855  -0.108457
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006792  -0.068777   0.198648
+    0SOL     H2    2  -0.028229   0.017024   0.174690
+    0SOL     H3    3   0.078886  -0.049394   0.258558
+    1SOL     O4    4  -0.009658   0.068316  -0.201858
+    1SOL     H5    5   0.052565   0.027330  -0.141768
+    1SOL     H6    6  -0.058686  -0.004897  -0.239255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101052  -0.179706   0.018821
+    0SOL     H2    2   0.163473  -0.246279   0.047699
+    0SOL     H3    3   0.033008  -0.228924  -0.027113
+    1SOL     O4    4  -0.101535   0.179495  -0.017769
+    1SOL     H5    5  -0.048262   0.230238   0.043464
+    1SOL     H6    6  -0.138788   0.244810  -0.077000
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.151737  -0.109869   0.110953
+    0SOL     H2    2   0.087801  -0.155805   0.056506
+    0SOL     H3    3   0.192562  -0.178790   0.163350
+    1SOL     O4    4  -0.148813   0.121477  -0.114468
+    1SOL     H5    5  -0.215577   0.114033  -0.046281
+    1SOL     H6    6  -0.112390   0.033289  -0.122121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132395   0.081838   0.158203
+    0SOL     H2    2  -0.151245   0.072867   0.251619
+    0SOL     H3    3  -0.036875   0.085518   0.153240
+    1SOL     O4    4   0.131969  -0.077973  -0.160464
+    1SOL     H5    5   0.076921  -0.142200  -0.115664
+    1SOL     H6    6   0.105913  -0.083984  -0.252373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.185412  -0.038789   0.110977
+    0SOL     H2    2  -0.219308   0.009561   0.186314
+    0SOL     H3    3  -0.263463  -0.072526   0.067021
+    1SOL     O4    4   0.187702   0.035143  -0.115322
+    1SOL     H5    5   0.205704   0.128937  -0.108922
+    1SOL     H6    6   0.263186  -0.006664  -0.073890
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.215547  -0.088466   0.012365
+    0SOL     H2    2   0.223591  -0.101943   0.106790
+    0SOL     H3    3   0.156899  -0.013308   0.003760
+    1SOL     O4    4  -0.218940   0.083813  -0.015174
+    1SOL     H5    5  -0.138886   0.088723   0.037071
+    1SOL     H6    6  -0.190347   0.102099  -0.104675
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.177524  -0.140230   0.063569
+    0SOL     H2    2   0.164396  -0.118997   0.155977
+    0SOL     H3    3   0.171944  -0.055942   0.018550
+    1SOL     O4    4  -0.174754   0.129191  -0.065048
+    1SOL     H5    5  -0.151301   0.183747  -0.140120
+    1SOL     H6    6  -0.233313   0.184059  -0.012869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140061   0.154829  -0.114080
+    0SOL     H2    2  -0.125672   0.061661  -0.130661
+    0SOL     H3    3  -0.208669   0.157017  -0.047368
+    1SOL     O4    4   0.142600  -0.146491   0.106068
+    1SOL     H5    5   0.217748  -0.190428   0.145876
+    1SOL     H6    6   0.068541  -0.170371   0.161810
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.152503   0.155331  -0.084885
+    0SOL     H2    2   0.103963   0.235560  -0.065660
+    0SOL     H3    3   0.186694   0.168571  -0.173304
+    1SOL     O4    4  -0.158087  -0.157594   0.088549
+    1SOL     H5    5  -0.091007  -0.159377   0.020288
+    1SOL     H6    6  -0.118819  -0.204732   0.162022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009799   0.205818  -0.111976
+    0SOL     H2    2   0.102604   0.189594  -0.095052
+    0SOL     H3    3   0.007422   0.293253  -0.150859
+    1SOL     O4    4  -0.019789  -0.213996   0.108896
+    1SOL     H5    5   0.069350  -0.180486   0.099220
+    1SOL     H6    6  -0.043388  -0.193640   0.199401
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.212160  -0.112642   0.017967
+    0SOL     H2    2  -0.301448  -0.080257   0.006085
+    0SOL     H3    3  -0.158184  -0.033649   0.020994
+    1SOL     O4    4   0.210106   0.104189  -0.021950
+    1SOL     H5    5   0.296882   0.071128   0.001272
+    1SOL     H6    6   0.197933   0.180958   0.033912
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006426  -0.186365   0.145906
+    0SOL     H2    2   0.044337  -0.155248   0.228106
+    0SOL     H3    3   0.059992  -0.261966   0.121874
+    1SOL     O4    4  -0.014786   0.182664  -0.147697
+    1SOL     H5    5   0.078389   0.183969  -0.169584
+    1SOL     H6    6  -0.040382   0.274886  -0.146210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.252108  -0.028963  -0.004288
+    0SOL     H2    2  -0.229055  -0.103413   0.051283
+    0SOL     H3    3  -0.168017   0.009666  -0.028758
+    1SOL     O4    4   0.238790   0.030647   0.003848
+    1SOL     H5    5   0.280209   0.039906  -0.081949
+    1SOL     H6    6   0.311617   0.032191   0.065946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.156283  -0.160628  -0.107789
+    0SOL     H2    2  -0.243131  -0.120384  -0.108241
+    0SOL     H3    3  -0.170350  -0.247646  -0.070475
+    1SOL     O4    4   0.167193   0.159620   0.105685
+    1SOL     H5    5   0.125854   0.200718   0.181609
+    1SOL     H6    6   0.108416   0.179338   0.032754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.215863  -0.053134   0.128730
+    0SOL     H2    2  -0.162032  -0.044670   0.207425
+    0SOL     H3    3  -0.219395   0.035369   0.092437
+    1SOL     O4    4   0.212439   0.041477  -0.136003
+    1SOL     H5    5   0.154030   0.051970  -0.060899
+    1SOL     H6    6   0.270986   0.117077  -0.131620
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023487   0.028436   0.258408
+    0SOL     H2    2   0.102966  -0.023487   0.270630
+    0SOL     H3    3   0.030436   0.062304   0.169150
+    1SOL     O4    4  -0.026867  -0.026554  -0.247584
+    1SOL     H5    5  -0.002582   0.025137  -0.324399
+    1SOL     H6    6  -0.082668  -0.096204  -0.282190
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058948   0.209902   0.155999
+    0SOL     H2    2   0.093540   0.167781   0.077313
+    0SOL     H3    3  -0.035085   0.217489   0.139793
+    1SOL     O4    4  -0.061772  -0.207419  -0.153561
+    1SOL     H5    5  -0.041932  -0.242303  -0.066660
+    1SOL     H6    6   0.023287  -0.181549  -0.189029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.254022  -0.040362   0.068000
+    0SOL     H2    2   0.323881  -0.098308   0.037598
+    0SOL     H3    3   0.231475   0.012323  -0.008670
+    1SOL     O4    4  -0.261081   0.036713  -0.058695
+    1SOL     H5    5  -0.168797   0.054841  -0.040882
+    1SOL     H6    6  -0.282249   0.091803  -0.134056
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.219972  -0.091567   0.140883
+    0SOL     H2    2   0.260741  -0.022654   0.088431
+    0SOL     H3    3   0.173884  -0.146136   0.077161
+    1SOL     O4    4  -0.212968   0.088692  -0.133894
+    1SOL     H5    5  -0.291882   0.037410  -0.116430
+    1SOL     H6    6  -0.245162   0.177192  -0.151032
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.342597  -0.130792  -0.002259
+    0SOL     H2    2  -0.365214  -0.091967  -0.086777
+    0SOL     H3    3  -0.354958  -0.224855  -0.014981
+    1SOL     O4    4   0.344156   0.140537   0.010738
+    1SOL     H5    5   0.393478   0.106475  -0.063891
+    1SOL     H6    6   0.301733   0.063548   0.048622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039686  -0.066129  -0.381318
+    0SOL     H2    2  -0.099557  -0.110484  -0.441406
+    0SOL     H3    3   0.016149  -0.135973  -0.347164
+    1SOL     O4    4   0.036588   0.069665   0.377341
+    1SOL     H5    5   0.022936   0.160391   0.404631
+    1SOL     H6    6   0.101729   0.035691   0.438699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007000  -0.136771   0.371810
+    0SOL     H2    2   0.008811  -0.211884   0.314623
+    0SOL     H3    3   0.068820  -0.134682   0.430198
+    1SOL     O4    4   0.001249   0.144300  -0.377371
+    1SOL     H5    5  -0.012621   0.171176  -0.286555
+    1SOL     H6    6   0.024727   0.051679  -0.371670
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062878  -0.442484   0.024727
+    0SOL     H2    2   0.045347  -0.453414  -0.068737
+    0SOL     H3    3   0.083808  -0.349595   0.034517
+    1SOL     O4    4  -0.059140   0.440218  -0.024550
+    1SOL     H5    5  -0.047869   0.446256   0.070312
+    1SOL     H6    6  -0.138710   0.388260  -0.036004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161570  -0.322784   0.300804
+    0SOL     H2    2  -0.178727  -0.245106   0.247569
+    0SOL     H3    3  -0.181561  -0.396400   0.242982
+    1SOL     O4    4   0.162635   0.323200  -0.300614
+    1SOL     H5    5   0.217868   0.254393  -0.263503
+    1SOL     H6    6   0.131218   0.372312  -0.224698
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000337   0.474576   0.091760
+    0SOL     H2    2  -0.036614   0.392024   0.060420
+    0SOL     H3    3   0.094845   0.464369   0.080519
+    1SOL     O4    4  -0.005978  -0.475800  -0.089660
+    1SOL     H5    5   0.025139  -0.419384  -0.160450
+    1SOL     H6    6  -0.000486  -0.421166  -0.011255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.162571   0.231792  -0.459265
+    0SOL     H2    2  -0.192766   0.182928  -0.382696
+    0SOL     H3    3  -0.144081   0.164583  -0.524866
+    1SOL     O4    4   0.159875  -0.230617   0.458456
+    1SOL     H5    5   0.130166  -0.143013   0.483059
+    1SOL     H6    6   0.252511  -0.219428   0.437110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.414871  -0.448311  -0.030162
+    0SOL     H2    2   0.478949  -0.395308  -0.077564
+    0SOL     H3    3   0.387297  -0.514771  -0.093289
+    1SOL     O4    4  -0.410831   0.451335   0.035185
+    1SOL     H5    5  -0.441586   0.365027   0.062889
+    1SOL     H6    6  -0.490788   0.502518   0.022959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.481729  -0.405994   0.029504
+    0SOL     H2    2  -0.437835  -0.451153  -0.042581
+    0SOL     H3    3  -0.574009  -0.404312   0.004127
+    1SOL     O4    4   0.490018   0.411097  -0.020691
+    1SOL     H5    5   0.472003   0.319870  -0.043394
+    1SOL     H6    6   0.413709   0.459284  -0.052585
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007620  -0.066891   0.102013
+    0SOL     H2    2   0.083464  -0.040318   0.114658
+    0SOL     H3    3  -0.002211  -0.157680   0.072175
+    1SOL     O4    4   0.004499   0.069895  -0.107194
+    1SOL     H5    5  -0.012195   0.008384  -0.035779
+    1SOL     H6    6  -0.030611   0.153224  -0.075794
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054359   0.098094   0.055551
+    0SOL     H2    2  -0.016441   0.163334  -0.003341
+    0SOL     H3    3   0.020830   0.060526   0.101351
+    1SOL     O4    4   0.054196  -0.099651  -0.055938
+    1SOL     H5    5   0.004412  -0.181255  -0.050982
+    1SOL     H6    6  -0.010912  -0.030922  -0.041807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060305  -0.069803   0.089285
+    0SOL     H2    2  -0.021514  -0.105029   0.124313
+    0SOL     H3    3   0.073370   0.012277   0.136766
+    1SOL     O4    4  -0.053828   0.071636  -0.097971
+    1SOL     H5    5  -0.026827   0.041249  -0.011312
+    1SOL     H6    6  -0.135223   0.024472  -0.115656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111462  -0.035767  -0.036834
+    0SOL     H2    2  -0.121161  -0.105400  -0.101792
+    0SOL     H3    3  -0.200873  -0.006019  -0.020009
+    1SOL     O4    4   0.120982   0.034206   0.035706
+    1SOL     H5    5   0.025983   0.045401   0.032217
+    1SOL     H6    6   0.149136   0.090418   0.107886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091306   0.042719   0.093456
+    0SOL     H2    2   0.047605  -0.024806   0.041563
+    0SOL     H3    3   0.046337   0.123889   0.069971
+    1SOL     O4    4  -0.084119  -0.038471  -0.090865
+    1SOL     H5    5  -0.036452  -0.121462  -0.092493
+    1SOL     H6    6  -0.168673  -0.060128  -0.051571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019890  -0.078488  -0.111898
+    0SOL     H2    2  -0.046687  -0.011393  -0.049108
+    0SOL     H3    3   0.052902  -0.123636  -0.069175
+    1SOL     O4    4   0.012250   0.075410   0.100316
+    1SOL     H5    5   0.009876   0.049611   0.192463
+    1SOL     H6    6   0.091690   0.128192   0.092211
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077359  -0.098610  -0.060861
+    0SOL     H2    2   0.079959  -0.033387   0.009150
+    0SOL     H3    3   0.004521  -0.071139  -0.116559
+    1SOL     O4    4  -0.070290   0.091141   0.052975
+    1SOL     H5    5  -0.116890   0.029280   0.109226
+    1SOL     H6    6  -0.068414   0.172575   0.103248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054425  -0.110092   0.061232
+    0SOL     H2    2  -0.149127  -0.096203   0.062163
+    0SOL     H3    3  -0.018060  -0.025730   0.034342
+    1SOL     O4    4   0.055191   0.097420  -0.057746
+    1SOL     H5    5   0.044070   0.143451  -0.140932
+    1SOL     H6    6   0.105666   0.157926  -0.003399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047351   0.005842   0.118424
+    0SOL     H2    2  -0.020825  -0.002011   0.185153
+    0SOL     H3    3   0.099184   0.081493   0.145858
+    1SOL     O4    4  -0.049282  -0.005746  -0.124416
+    1SOL     H5    5  -0.008008  -0.040458  -0.045335
+    1SOL     H6    6  -0.028088  -0.069564  -0.192537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114114   0.048641   0.040744
+    0SOL     H2    2  -0.150086   0.039799   0.129006
+    0SOL     H3    3  -0.155279  -0.021931  -0.009129
+    1SOL     O4    4   0.119085  -0.049713  -0.044735
+    1SOL     H5    5   0.181871   0.019698  -0.064798
+    1SOL     H6    6   0.051245  -0.006455   0.007118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123753   0.049125   0.051817
+    0SOL     H2    2  -0.169102  -0.033713   0.036212
+    0SOL     H3    3  -0.060021   0.055369  -0.019328
+    1SOL     O4    4   0.117050  -0.045447  -0.047587
+    1SOL     H5    5   0.181072  -0.116559  -0.050131
+    1SOL     H6    6   0.168977   0.032970  -0.029795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110753   0.083989   0.032595
+    0SOL     H2    2  -0.041758   0.018522   0.021818
+    0SOL     H3    3  -0.191321   0.032892   0.040348
+    1SOL     O4    4   0.105376  -0.075732  -0.031455
+    1SOL     H5    5   0.169809  -0.113467   0.028434
+    1SOL     H6    6   0.154538  -0.058284  -0.111711
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033186   0.137369  -0.021196
+    0SOL     H2    2  -0.038797   0.041833  -0.019262
+    0SOL     H3    3  -0.091851   0.166275   0.048698
+    1SOL     O4    4   0.041138  -0.130300   0.015196
+    1SOL     H5    5   0.006212  -0.213056  -0.017878
+    1SOL     H6    6  -0.011400  -0.111447   0.092956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006070  -0.125835   0.066282
+    0SOL     H2    2  -0.022236  -0.129364  -0.025089
+    0SOL     H3    3   0.101460  -0.119402   0.061623
+    1SOL     O4    4  -0.015132   0.124579  -0.057399
+    1SOL     H5    5  -0.006637   0.182653  -0.133014
+    1SOL     H6    6   0.071840   0.086014  -0.046867
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054040  -0.059107  -0.112295
+    0SOL     H2    2  -0.010904  -0.144114  -0.120980
+    0SOL     H3    3  -0.147128  -0.080090  -0.104770
+    1SOL     O4    4   0.057682   0.071185   0.113567
+    1SOL     H5    5   0.059870  -0.002700   0.174383
+    1SOL     H6    6   0.034163   0.032253   0.029344
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113393  -0.056428   0.066436
+    0SOL     H2    2   0.183777  -0.005252   0.106303
+    0SOL     H3    3   0.057887   0.008580   0.023360
+    1SOL     O4    4  -0.110372   0.055380  -0.064911
+    1SOL     H5    5  -0.088266  -0.023280  -0.114774
+    1SOL     H6    6  -0.200318   0.040740  -0.035624
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134958  -0.055594  -0.007324
+    0SOL     H2    2  -0.046764  -0.021903   0.008456
+    0SOL     H3    3  -0.177724   0.012498  -0.059256
+    1SOL     O4    4   0.127833   0.046980   0.010434
+    1SOL     H5    5   0.171848   0.109667   0.067840
+    1SOL     H6    6   0.184994   0.040239  -0.066048
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031043  -0.000940  -0.136174
+    0SOL     H2    2   0.039338   0.088117  -0.170269
+    0SOL     H3    3  -0.048773  -0.034821  -0.176719
+    1SOL     O4    4  -0.026048  -0.005681   0.146526
+    1SOL     H5    5  -0.090317   0.062805   0.128049
+    1SOL     H6    6   0.022193  -0.016081   0.064508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109183  -0.048838   0.085223
+    0SOL     H2    2   0.165180  -0.092014   0.020706
+    0SOL     H3    3   0.043707  -0.002502   0.032990
+    1SOL     O4    4  -0.102488   0.052134  -0.077339
+    1SOL     H5    5  -0.166662   0.073273  -0.145141
+    1SOL     H6    6  -0.141498  -0.020894  -0.029304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018950  -0.034485  -0.143392
+    0SOL     H2    2  -0.057813  -0.120313  -0.126493
+    0SOL     H3    3  -0.049510   0.020345  -0.071128
+    1SOL     O4    4   0.015814   0.035348   0.141228
+    1SOL     H5    5   0.061516  -0.008482   0.069446
+    1SOL     H6    6   0.080835   0.095122   0.178129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125990  -0.028359  -0.075079
+    0SOL     H2    2   0.046729  -0.001874  -0.028403
+    0SOL     H3    3   0.101914  -0.024052  -0.167622
+    1SOL     O4    4  -0.114833   0.029924   0.074370
+    1SOL     H5    5  -0.166391  -0.045170   0.044961
+    1SOL     H6    6  -0.144406   0.045706   0.164028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016236  -0.046706   0.140326
+    0SOL     H2    2   0.053420  -0.016415   0.057488
+    0SOL     H3    3   0.080658  -0.108843   0.174253
+    1SOL     O4    4  -0.017026   0.052654  -0.135813
+    1SOL     H5    5  -0.109731   0.053135  -0.111983
+    1SOL     H6    6  -0.007504  -0.023025  -0.193642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.005826   0.108755  -0.109760
+    0SOL     H2    2   0.086144   0.143533  -0.071005
+    0SOL     H3    3  -0.020784   0.038310  -0.050669
+    1SOL     O4    4  -0.009933  -0.099839   0.100596
+    1SOL     H5    5  -0.015059  -0.185365   0.057919
+    1SOL     H6    6   0.007884  -0.119897   0.192479
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029015  -0.141852   0.000091
+    0SOL     H2    2   0.089946  -0.169879  -0.068204
+    0SOL     H3    3  -0.011554  -0.222927   0.030803
+    1SOL     O4    4  -0.025529   0.151801   0.004092
+    1SOL     H5    5  -0.046444   0.060906   0.025610
+    1SOL     H6    6  -0.096248   0.179561  -0.054137
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031349  -0.061559  -0.130885
+    0SOL     H2    2   0.060898  -0.046863  -0.151785
+    0SOL     H3    3  -0.045204  -0.154772  -0.147668
+    1SOL     O4    4   0.020538   0.065033   0.133056
+    1SOL     H5    5   0.068581   0.126392   0.077474
+    1SOL     H6    6   0.086563   0.030142   0.192936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102487   0.103800  -0.023715
+    0SOL     H2    2   0.171200   0.119620   0.041019
+    0SOL     H3    3   0.147964   0.063324  -0.097580
+    1SOL     O4    4  -0.106364  -0.108029   0.025568
+    1SOL     H5    5  -0.193054  -0.082139  -0.005685
+    1SOL     H6    6  -0.057081  -0.026103   0.030236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046038  -0.087858   0.107436
+    0SOL     H2    2   0.090883  -0.161097   0.149712
+    0SOL     H3    3  -0.013561  -0.054325   0.174413
+    1SOL     O4    4  -0.049297   0.094120  -0.116520
+    1SOL     H5    5   0.044902   0.109236  -0.108757
+    1SOL     H6    6  -0.063608   0.009533  -0.074063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042505  -0.044083  -0.143124
+    0SOL     H2    2   0.008635  -0.007254  -0.061523
+    0SOL     H3    3   0.039589   0.028632  -0.205304
+    1SOL     O4    4  -0.035294   0.033173   0.144087
+    1SOL     H5    5  -0.125036   0.007269   0.123164
+    1SOL     H6    6  -0.033947   0.127950   0.130757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126005  -0.074693  -0.051402
+    0SOL     H2    2   0.086521   0.009256  -0.027826
+    0SOL     H3    3   0.167141  -0.058848  -0.136367
+    1SOL     O4    4  -0.123729   0.072260   0.049647
+    1SOL     H5    5  -0.101372  -0.013851   0.084965
+    1SOL     H6    6  -0.191373   0.105561   0.108619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078480  -0.107945   0.066394
+    0SOL     H2    2  -0.108630  -0.195223   0.091613
+    0SOL     H3    3  -0.068521  -0.061116   0.149281
+    1SOL     O4    4   0.084908   0.107358  -0.073316
+    1SOL     H5    5   0.063523   0.200341  -0.081015
+    1SOL     H6    6   0.003053   0.066111  -0.045734
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130330  -0.011719   0.076617
+    0SOL     H2    2  -0.104837   0.067462   0.123976
+    0SOL     H3    3  -0.210835   0.012548   0.030875
+    1SOL     O4    4   0.139860   0.006697  -0.079110
+    1SOL     H5    5   0.108082   0.005640   0.011175
+    1SOL     H6    6   0.060438   0.005444  -0.132523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137742   0.056043  -0.018915
+    0SOL     H2    2  -0.218906   0.041178   0.029601
+    0SOL     H3    3  -0.160925   0.121210  -0.085082
+    1SOL     O4    4   0.143561  -0.063011   0.024913
+    1SOL     H5    5   0.208104   0.001717  -0.003493
+    1SOL     H6    6   0.071137  -0.053425  -0.036936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015228   0.130605   0.076260
+    0SOL     H2    2  -0.079501   0.133103   0.062756
+    0SOL     H3    3   0.031902   0.198239   0.141910
+    1SOL     O4    4  -0.012754  -0.137563  -0.072994
+    1SOL     H5    5  -0.027482  -0.044941  -0.092140
+    1SOL     H6    6   0.026812  -0.172573  -0.152813
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009392  -0.141264   0.072044
+    0SOL     H2    2  -0.063550  -0.161222   0.130725
+    0SOL     H3    3  -0.028553  -0.084351   0.005086
+    1SOL     O4    4   0.000569   0.133117  -0.069863
+    1SOL     H5    5   0.012907   0.189201  -0.146444
+    1SOL     H6    6  -0.071371   0.173856  -0.021621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035851   0.109163  -0.105138
+    0SOL     H2    2  -0.034512   0.025355  -0.151363
+    0SOL     H3    3  -0.089565   0.166101  -0.160231
+    1SOL     O4    4   0.037962  -0.110393   0.104359
+    1SOL     H5    5   0.075368  -0.145521   0.185163
+    1SOL     H6    6   0.007674  -0.022739   0.128057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041302   0.161007   0.014780
+    0SOL     H2    2  -0.046720   0.090260  -0.049467
+    0SOL     H3    3   0.004071   0.122105   0.089548
+    1SOL     O4    4   0.041767  -0.149024  -0.012257
+    1SOL     H5    5  -0.049514  -0.163717  -0.037041
+    1SOL     H6    6   0.087059  -0.229010  -0.038961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.163372   0.004820  -0.023666
+    0SOL     H2    2   0.067721   0.007005  -0.020741
+    0SOL     H3    3   0.188579  -0.046128   0.053349
+    1SOL     O4    4  -0.153548  -0.001877   0.021732
+    1SOL     H5    5  -0.215600  -0.074729   0.023841
+    1SOL     H6    6  -0.198297   0.066320  -0.028359
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027718  -0.053691   0.148140
+    0SOL     H2    2  -0.009944  -0.128561   0.101897
+    0SOL     H3    3   0.118664  -0.078765   0.164341
+    1SOL     O4    4  -0.037334   0.060268  -0.147384
+    1SOL     H5    5   0.019426   0.094717  -0.078435
+    1SOL     H6    6   0.020412   0.006098  -0.201173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075040   0.002449   0.136815
+    0SOL     H2    2  -0.090822  -0.077175   0.187543
+    0SOL     H3    3  -0.062598   0.070790   0.202671
+    1SOL     O4    4   0.079864   0.003299  -0.143638
+    1SOL     H5    5   0.070034  -0.073304  -0.200187
+    1SOL     H6    6   0.010523  -0.006037  -0.078316
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000260  -0.145141   0.081112
+    0SOL     H2    2   0.020158  -0.131276   0.173709
+    0SOL     H3    3  -0.009811  -0.056960   0.045265
+    1SOL     O4    4  -0.005111   0.136692  -0.080020
+    1SOL     H5    5   0.076588   0.100962  -0.114820
+    1SOL     H6    6  -0.017614   0.218778  -0.127641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015243   0.015959  -0.166449
+    0SOL     H2    2   0.078454   0.087335  -0.157956
+    0SOL     H3    3   0.031702  -0.039845  -0.090441
+    1SOL     O4    4  -0.017120  -0.020207   0.157206
+    1SOL     H5    5  -0.031394  -0.043369   0.248978
+    1SOL     H6    6  -0.048479   0.069947   0.150052
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097577   0.101971  -0.074536
+    0SOL     H2    2  -0.190845   0.088166  -0.091053
+    0SOL     H3    3  -0.060349   0.120109  -0.160834
+    1SOL     O4    4   0.104017  -0.104791   0.075697
+    1SOL     H5    5   0.124991  -0.094100   0.168477
+    1SOL     H6    6   0.018132  -0.063749   0.065624
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104354  -0.115630   0.069936
+    0SOL     H2    2   0.015972  -0.137973   0.040751
+    0SOL     H3    3   0.099583  -0.022576   0.091856
+    1SOL     O4    4  -0.096180   0.107296  -0.070279
+    1SOL     H5    5  -0.188341   0.124335  -0.089730
+    1SOL     H6    6  -0.064016   0.189275  -0.032766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059113   0.128441  -0.092047
+    0SOL     H2    2   0.009905   0.164934  -0.165594
+    0SOL     H3    3   0.010344   0.049933  -0.067139
+    1SOL     O4    4  -0.047608  -0.123274   0.095361
+    1SOL     H5    5  -0.075720  -0.180360   0.023853
+    1SOL     H6    6  -0.124408  -0.116234   0.152058
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070273   0.142109   0.036535
+    0SOL     H2    2   0.009394   0.193841   0.024730
+    0SOL     H3    3  -0.118829   0.188105   0.105011
+    1SOL     O4    4   0.068150  -0.153212  -0.036683
+    1SOL     H5    5   0.111291  -0.072604  -0.008337
+    1SOL     H6    6   0.034167  -0.132879  -0.123827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.143570  -0.043988   0.080504
+    0SOL     H2    2  -0.048850  -0.048495   0.093546
+    0SOL     H3    3  -0.180677  -0.072741   0.163923
+    1SOL     O4    4   0.139977   0.050262  -0.080696
+    1SOL     H5    5   0.067334   0.002311  -0.120524
+    1SOL     H6    6   0.216494   0.025270  -0.132492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032529  -0.171805  -0.004751
+    0SOL     H2    2   0.022991  -0.076606  -0.001841
+    0SOL     H3    3   0.098756  -0.187240  -0.072116
+    1SOL     O4    4  -0.029557   0.165975   0.010803
+    1SOL     H5    5  -0.063306   0.145214  -0.076331
+    1SOL     H6    6  -0.101650   0.211575   0.054225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093445  -0.026998   0.137223
+    0SOL     H2    2  -0.165177  -0.023173   0.200486
+    0SOL     H3    3  -0.037420   0.047211   0.159950
+    1SOL     O4    4   0.099637   0.022811  -0.138771
+    1SOL     H5    5   0.011421   0.037555  -0.104668
+    1SOL     H6    6   0.086804   0.006271  -0.232173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084166  -0.146055  -0.016463
+    0SOL     H2    2   0.130590  -0.165537  -0.097873
+    0SOL     H3    3   0.152673  -0.117515   0.043990
+    1SOL     O4    4  -0.085662   0.150736   0.015724
+    1SOL     H5    5  -0.073905   0.056135   0.007086
+    1SOL     H6    6  -0.172548   0.160668   0.054641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038896  -0.141429  -0.101843
+    0SOL     H2    2   0.012683  -0.089222  -0.040391
+    0SOL     H3    3  -0.069523  -0.078410  -0.167057
+    1SOL     O4    4   0.041162   0.133884   0.095878
+    1SOL     H5    5  -0.051395   0.153734   0.110071
+    1SOL     H6    6   0.079369   0.133555   0.183641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069363  -0.163662   0.026229
+    0SOL     H2    2   0.056191  -0.074635   0.058833
+    0SOL     H3    3  -0.015774  -0.206040   0.037095
+    1SOL     O4    4  -0.060340   0.165794  -0.025955
+    1SOL     H5    5  -0.048248   0.073044  -0.046295
+    1SOL     H6    6  -0.151784   0.183482  -0.048032
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016693  -0.124171  -0.125112
+    0SOL     H2    2  -0.070282  -0.056823  -0.083222
+    0SOL     H3    3  -0.073426  -0.201181  -0.128717
+    1SOL     O4    4   0.017510   0.120330   0.121578
+    1SOL     H5    5   0.010744   0.215715   0.125860
+    1SOL     H6    6   0.108111   0.101573   0.146113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109309   0.132068  -0.008949
+    0SOL     H2    2   0.166678   0.174635   0.054764
+    0SOL     H3    3   0.067612   0.204392  -0.055778
+    1SOL     O4    4  -0.115385  -0.136562   0.009806
+    1SOL     H5    5  -0.029130  -0.106010   0.037894
+    1SOL     H6    6  -0.096904  -0.201907  -0.057654
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029802  -0.158172   0.060084
+    0SOL     H2    2  -0.032455  -0.253801   0.056851
+    0SOL     H3    3  -0.098609  -0.134342   0.122212
+    1SOL     O4    4   0.039243   0.165590  -0.064571
+    1SOL     H5    5   0.030816   0.077993  -0.026912
+    1SOL     H6    6  -0.050526   0.191520  -0.085342
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018536   0.011987   0.175470
+    0SOL     H2    2   0.025407  -0.078733   0.145722
+    0SOL     H3    3   0.093628   0.023930   0.233615
+    1SOL     O4    4  -0.028741  -0.007174  -0.174738
+    1SOL     H5    5  -0.005029  -0.057320  -0.252747
+    1SOL     H6    6   0.054727   0.024751  -0.140441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.146986  -0.020268   0.111593
+    0SOL     H2    2   0.139311   0.027115   0.028778
+    0SOL     H3    3   0.060545  -0.012265   0.151920
+    1SOL     O4    4  -0.141651   0.021343  -0.104520
+    1SOL     H5    5  -0.091566   0.019944  -0.186079
+    1SOL     H6    6  -0.195992  -0.057362  -0.108375
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076029   0.018397  -0.163347
+    0SOL     H2    2  -0.027097   0.100116  -0.153867
+    0SOL     H3    3  -0.011811  -0.044308  -0.196611
+    1SOL     O4    4   0.077135  -0.019467   0.163828
+    1SOL     H5    5   0.009997  -0.046300   0.101100
+    1SOL     H6    6   0.027921   0.012693   0.239366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068642   0.173427  -0.011752
+    0SOL     H2    2  -0.108109   0.132784   0.065403
+    0SOL     H3    3  -0.094068   0.116605  -0.084464
+    1SOL     O4    4   0.074937  -0.164487   0.006164
+    1SOL     H5    5   0.063348  -0.259116   0.014729
+    1SOL     H6    6   0.040012  -0.128552   0.087719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112795  -0.041268  -0.147873
+    0SOL     H2    2  -0.027742  -0.060280  -0.187456
+    0SOL     H3    3  -0.101699   0.044710  -0.107291
+    1SOL     O4    4   0.112597   0.041822   0.146415
+    1SOL     H5    5   0.075300   0.018830   0.231519
+    1SOL     H6    6   0.064947  -0.012698   0.083810
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028682   0.160896  -0.096813
+    0SOL     H2    2  -0.053591   0.153257  -0.004707
+    0SOL     H3    3  -0.087274   0.227891  -0.132042
+    1SOL     O4    4   0.027383  -0.167499   0.096412
+    1SOL     H5    5   0.087930  -0.113011   0.146685
+    1SOL     H6    6   0.056279  -0.158028   0.005651
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099111   0.152269  -0.039860
+    0SOL     H2    2  -0.102037   0.158229  -0.135349
+    0SOL     H3    3  -0.090870   0.242967  -0.010394
+    1SOL     O4    4   0.099895  -0.164172   0.040070
+    1SOL     H5    5   0.162136  -0.125497   0.101654
+    1SOL     H6    6   0.024935  -0.104656   0.041153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092717   0.153330   0.073154
+    0SOL     H2    2   0.171215   0.099685   0.084229
+    0SOL     H3    3   0.113423   0.211322  -0.000130
+    1SOL     O4    4  -0.098525  -0.147551  -0.073196
+    1SOL     H5    5  -0.138378  -0.231376  -0.096592
+    1SOL     H6    6  -0.055991  -0.163865   0.010988
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.147717  -0.041546  -0.136482
+    0SOL     H2    2  -0.168119  -0.134551  -0.146286
+    0SOL     H3    3  -0.057875  -0.040033  -0.103490
+    1SOL     O4    4   0.138135   0.044582   0.134991
+    1SOL     H5    5   0.183855   0.078532   0.058053
+    1SOL     H6    6   0.195132   0.066920   0.208575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.192376  -0.073442   0.000889
+    0SOL     H2    2   0.241981  -0.032416  -0.069952
+    0SOL     H3    3   0.166294  -0.000596   0.057241
+    1SOL     O4    4  -0.195207   0.065249  -0.005829
+    1SOL     H5    5  -0.189970   0.157313   0.019842
+    1SOL     H6    6  -0.170050   0.016921   0.072872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.143657  -0.006515  -0.163991
+    0SOL     H2    2  -0.090587  -0.032697  -0.088755
+    0SOL     H3    3  -0.098990   0.070454  -0.199246
+    1SOL     O4    4   0.141954   0.001921   0.166795
+    1SOL     H5    5   0.140807  -0.040941   0.081215
+    1SOL     H6    6   0.068701   0.063462   0.163796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065936   0.137220  -0.146458
+    0SOL     H2    2  -0.131028   0.207353  -0.143885
+    0SOL     H3    3  -0.117160   0.056666  -0.139422
+    1SOL     O4    4   0.077078  -0.135916   0.140987
+    1SOL     H5    5   0.003745  -0.078536   0.163172
+    1SOL     H6    6   0.068879  -0.209761   0.201337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.187884  -0.093495   0.068262
+    0SOL     H2    2  -0.241621  -0.060833  -0.003903
+    0SOL     H3    3  -0.169910  -0.016152   0.121716
+    1SOL     O4    4   0.185078   0.089919  -0.071273
+    1SOL     H5    5   0.273991   0.122429  -0.057134
+    1SOL     H6    6   0.177978   0.013691  -0.013817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.201187  -0.073271   0.072281
+    0SOL     H2    2   0.126101  -0.111942   0.117324
+    0SOL     H3    3   0.186773   0.021164   0.078329
+    1SOL     O4    4  -0.202296   0.073685  -0.073370
+    1SOL     H5    5  -0.159089   0.005951  -0.021335
+    1SOL     H6    6  -0.147880   0.082169  -0.151659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123045   0.125388  -0.146673
+    0SOL     H2    2   0.039746   0.156957  -0.181701
+    0SOL     H3    3   0.113956   0.133941  -0.051770
+    1SOL     O4    4  -0.117588  -0.128519   0.150071
+    1SOL     H5    5  -0.053812  -0.164193   0.088246
+    1SOL     H6    6  -0.179904  -0.080712   0.095357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.169394   0.078735   0.136256
+    0SOL     H2    2  -0.203810  -0.002064   0.098186
+    0SOL     H3    3  -0.109973   0.049326   0.205296
+    1SOL     O4    4   0.167834  -0.078220  -0.136490
+    1SOL     H5    5   0.188676   0.000031  -0.085452
+    1SOL     H6    6   0.144097  -0.044829  -0.223000
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.149937  -0.170794  -0.056007
+    0SOL     H2    2  -0.153613  -0.141399   0.035013
+    0SOL     H3    3  -0.172356  -0.093109  -0.107239
+    1SOL     O4    4   0.146860   0.160096   0.054866
+    1SOL     H5    5   0.151621   0.222481  -0.017575
+    1SOL     H6    6   0.217211   0.186671   0.114086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.175251   0.113603  -0.101339
+    0SOL     H2    2  -0.150892   0.164883  -0.024272
+    0SOL     H3    3  -0.255747   0.154607  -0.132986
+    1SOL     O4    4   0.175530  -0.113081   0.097847
+    1SOL     H5    5   0.220086  -0.146461   0.175711
+    1SOL     H6    6   0.180737  -0.184769   0.034632
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046557  -0.183848  -0.142350
+    0SOL     H2    2   0.137320  -0.153845  -0.137421
+    0SOL     H3    3   0.049412  -0.274214  -0.110916
+    1SOL     O4    4  -0.047374   0.192319   0.138875
+    1SOL     H5    5  -0.107377   0.158966   0.072170
+    1SOL     H6    6  -0.076031   0.150433   0.220033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062217  -0.233350   0.012685
+    0SOL     H2    2   0.010803  -0.172719   0.000262
+    0SOL     H3    3  -0.021504  -0.313567   0.045398
+    1SOL     O4    4   0.058924   0.230225  -0.012190
+    1SOL     H5    5   0.049219   0.259820  -0.102701
+    1SOL     H6    6   0.007191   0.292357   0.039052
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.205531   0.137257   0.008920
+    0SOL     H2    2   0.187959   0.072830  -0.059656
+    0SOL     H3    3   0.195802   0.088501   0.090716
+    1SOL     O4    4  -0.202765  -0.127993  -0.002522
+    1SOL     H5    5  -0.136664  -0.149600  -0.068296
+    1SOL     H6    6  -0.286334  -0.144894  -0.046028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.246568   0.054781  -0.016383
+    0SOL     H2    2  -0.152826   0.035694  -0.013132
+    0SOL     H3    3  -0.273776   0.026626  -0.103729
+    1SOL     O4    4   0.246498  -0.053276   0.026903
+    1SOL     H5    5   0.263792   0.009074  -0.043636
+    1SOL     H6    6   0.167307  -0.099406  -0.000721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015162  -0.266162  -0.024965
+    0SOL     H2    2   0.037666  -0.175818  -0.002743
+    0SOL     H3    3  -0.036416  -0.297062   0.049515
+    1SOL     O4    4  -0.015177   0.262572   0.026417
+    1SOL     H5    5   0.073259   0.266216  -0.010026
+    1SOL     H6    6  -0.072753   0.265183  -0.050005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095968   0.214877  -0.135894
+    0SOL     H2    2  -0.190841   0.202231  -0.137082
+    0SOL     H3    3  -0.063198   0.145327  -0.078875
+    1SOL     O4    4   0.101439  -0.206608   0.127577
+    1SOL     H5    5   0.147202  -0.281457   0.165861
+    1SOL     H6    6   0.021066  -0.198772   0.178970
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097046  -0.117102   0.247983
+    0SOL     H2    2   0.084403  -0.063654   0.169588
+    0SOL     H3    3   0.099258  -0.207132   0.215549
+    1SOL     O4    4  -0.092805   0.125005  -0.239749
+    1SOL     H5    5  -0.118055   0.054863  -0.179709
+    1SOL     H6    6  -0.126911   0.097254  -0.324773
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.282716   0.011302   0.050251
+    0SOL     H2    2   0.346344   0.040640  -0.014964
+    0SOL     H3    3   0.231110   0.089397   0.070257
+    1SOL     O4    4  -0.280663  -0.012040  -0.044648
+    1SOL     H5    5  -0.268080  -0.038445  -0.135790
+    1SOL     H6    6  -0.339259  -0.078430  -0.008300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065046  -0.225675  -0.157633
+    0SOL     H2    2   0.088603  -0.196795  -0.245800
+    0SOL     H3    3   0.042083  -0.318024  -0.167963
+    1SOL     O4    4  -0.067292   0.232390   0.167372
+    1SOL     H5    5   0.021714   0.224034   0.133161
+    1SOL     H6    6  -0.119369   0.172734   0.113601
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.275199  -0.032951   0.095254
+    0SOL     H2    2  -0.312316   0.051701   0.070378
+    0SOL     H3    3  -0.317627  -0.054266   0.178368
+    1SOL     O4    4   0.282000   0.030527  -0.104239
+    1SOL     H5    5   0.194536  -0.003750  -0.085872
+    1SOL     H6    6   0.320661   0.045157  -0.017904
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022873  -0.260485   0.157876
+    0SOL     H2    2  -0.047197  -0.195766   0.149881
+    0SOL     H3    3   0.005418  -0.323511   0.087980
+    1SOL     O4    4  -0.024528   0.262470  -0.153357
+    1SOL     H5    5   0.004245   0.171335  -0.148001
+    1SOL     H6    6   0.055365   0.311808  -0.171936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.194399   0.199105   0.141108
+    0SOL     H2    2  -0.270429   0.147181   0.167293
+    0SOL     H3    3  -0.226376   0.254102   0.069588
+    1SOL     O4    4   0.200336  -0.199496  -0.144690
+    1SOL     H5    5   0.264143  -0.157342  -0.087123
+    1SOL     H6    6   0.135049  -0.236399  -0.085207
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006523   0.313551   0.097675
+    0SOL     H2    2   0.013247   0.311744   0.002208
+    0SOL     H3    3  -0.087583   0.315468   0.115073
+    1SOL     O4    4   0.003037  -0.308897  -0.091764
+    1SOL     H5    5  -0.076736  -0.331435  -0.043904
+    1SOL     H6    6   0.002144  -0.366360  -0.168311
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102954  -0.115220   0.304930
+    0SOL     H2    2   0.051745  -0.055691   0.359667
+    0SOL     H3    3   0.192364  -0.107516   0.338231
+    1SOL     O4    4  -0.103684   0.105789  -0.312339
+    1SOL     H5    5  -0.065963   0.148079  -0.235196
+    1SOL     H6    6  -0.170704   0.166935  -0.342865
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102056   0.156698  -0.341002
+    0SOL     H2    2   0.032050   0.184741  -0.399953
+    0SOL     H3    3   0.182486   0.187006  -0.383130
+    1SOL     O4    4  -0.106402  -0.165707   0.347674
+    1SOL     H5    5  -0.132656  -0.074140   0.338264
+    1SOL     H6    6  -0.010759  -0.163708   0.344398
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.260812  -0.200924  -0.266062
+    0SOL     H2    2  -0.266019  -0.105429  -0.262086
+    0SOL     H3    3  -0.272242  -0.229379  -0.175387
+    1SOL     O4    4   0.261887   0.197648   0.267530
+    1SOL     H5    5   0.220866   0.133075   0.209997
+    1SOL     H6    6   0.301324   0.261298   0.207900
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.312680  -0.305474  -0.185666
+    0SOL     H2    2  -0.257705  -0.245990  -0.134659
+    0SOL     H3    3  -0.357771  -0.248773  -0.248229
+    1SOL     O4    4   0.307679   0.300726   0.189720
+    1SOL     H5    5   0.394852   0.333936   0.168266
+    1SOL     H6    6   0.305922   0.212385   0.152908
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.383716  -0.453614  -0.039697
+    0SOL     H2    2   0.465528  -0.485515  -0.001599
+    0SOL     H3    3   0.389046  -0.358378  -0.031693
+    1SOL     O4    4  -0.384661   0.451169   0.032372
+    1SOL     H5    5  -0.365968   0.415474   0.119198
+    1SOL     H6    6  -0.480176   0.456092   0.028503
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052301  -0.107071  -0.012272
+    0SOL     H2    2   0.015200  -0.039575  -0.019372
+    0SOL     H3    3  -0.018658  -0.180199  -0.064067
+    1SOL     O4    4   0.052065   0.103761   0.016153
+    1SOL     H5    5   0.023623   0.153289  -0.060660
+    1SOL     H6    6  -0.016173   0.119425   0.081426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088200   0.009713   0.085958
+    0SOL     H2    2   0.049760   0.055778   0.160541
+    0SOL     H3    3   0.113193  -0.075835   0.120878
+    1SOL     O4    4  -0.090147  -0.005643  -0.098212
+    1SOL     H5    5  -0.009980   0.025825  -0.056436
+    1SOL     H6    6  -0.125715  -0.069744  -0.036662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093362   0.022884   0.092193
+    0SOL     H2    2   0.053921   0.017693   0.179255
+    0SOL     H3    3   0.019645   0.013537   0.031855
+    1SOL     O4    4  -0.084361  -0.026618  -0.089528
+    1SOL     H5    5  -0.077687  -0.026941  -0.185014
+    1SOL     H6    6  -0.131928   0.053887  -0.069067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089393  -0.082504   0.028359
+    0SOL     H2    2  -0.037731  -0.162281   0.017005
+    0SOL     H3    3  -0.139367  -0.097494   0.108610
+    1SOL     O4    4   0.092757   0.086838  -0.038227
+    1SOL     H5    5   0.098594   0.169944   0.008908
+    1SOL     H6    6   0.025992   0.037099   0.009005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089115   0.041366  -0.096160
+    0SOL     H2    2  -0.015347   0.032522  -0.035808
+    0SOL     H3    3  -0.072235  -0.023623  -0.164379
+    1SOL     O4    4   0.082108  -0.035526   0.091199
+    1SOL     H5    5   0.061449  -0.115429   0.139686
+    1SOL     H6    6   0.142135   0.012375   0.148335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083781   0.039424   0.100553
+    0SOL     H2    2  -0.052512   0.051600   0.190199
+    0SOL     H3    3  -0.005548   0.049329   0.046296
+    1SOL     O4    4   0.082042  -0.037146  -0.098226
+    1SOL     H5    5   0.003489  -0.085237  -0.072167
+    1SOL     H6    6   0.085980  -0.047341  -0.193320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081988  -0.014074   0.099612
+    0SOL     H2    2   0.164651   0.030821   0.117320
+    0SOL     H3    3   0.041167  -0.024004   0.185620
+    1SOL     O4    4  -0.084324   0.008168  -0.111479
+    1SOL     H5    5  -0.133408   0.088889  -0.096079
+    1SOL     H6    6  -0.038165  -0.007923  -0.029182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067407  -0.099179  -0.078265
+    0SOL     H2    2  -0.043331  -0.120366   0.011922
+    0SOL     H3    3  -0.026433  -0.014252  -0.094723
+    1SOL     O4    4   0.060776   0.089307   0.074144
+    1SOL     H5    5   0.071115   0.155246   0.142755
+    1SOL     H6    6   0.097890   0.130071  -0.004107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076872   0.080382  -0.089757
+    0SOL     H2    2   0.021148   0.054537  -0.016345
+    0SOL     H3    3   0.143576   0.011898  -0.094526
+    1SOL     O4    4  -0.077231  -0.079064   0.080198
+    1SOL     H5    5  -0.016797  -0.066711   0.153393
+    1SOL     H6    6  -0.144514  -0.012211   0.093084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019863   0.061487  -0.118360
+    0SOL     H2    2  -0.059988   0.024667  -0.156181
+    0SOL     H3    3   0.086345   0.049325  -0.186143
+    1SOL     O4    4  -0.015376  -0.060867   0.129079
+    1SOL     H5    5  -0.110889  -0.054977   0.126870
+    1SOL     H6    6   0.012627  -0.028939   0.043296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016085  -0.057510  -0.126736
+    0SOL     H2    2   0.045389  -0.147463  -0.112177
+    0SOL     H3    3   0.096661  -0.005845  -0.127491
+    1SOL     O4    4  -0.016338   0.058130   0.128703
+    1SOL     H5    5  -0.055867   0.020132   0.050243
+    1SOL     H6    6  -0.078688   0.125018   0.157000
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084376   0.081030  -0.067739
+    0SOL     H2    2  -0.126936   0.164123  -0.046609
+    0SOL     H3    3  -0.086597   0.076556  -0.163329
+    1SOL     O4    4   0.090416  -0.086457   0.077860
+    1SOL     H5    5   0.038555  -0.009964   0.052926
+    1SOL     H6    6   0.084440  -0.145119   0.002459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103768  -0.061122   0.077431
+    0SOL     H2    2  -0.061500   0.009425   0.028452
+    0SOL     H3    3  -0.181687  -0.020583   0.115478
+    1SOL     O4    4   0.101547   0.055869  -0.072102
+    1SOL     H5    5   0.143734  -0.024945  -0.101284
+    1SOL     H6    6   0.135942   0.123375  -0.130602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065694  -0.064910   0.115766
+    0SOL     H2    2  -0.015201  -0.021186   0.089186
+    0SOL     H3    3   0.124378  -0.054398   0.040879
+    1SOL     O4    4  -0.063817   0.059554  -0.103812
+    1SOL     H5    5  -0.042828   0.018591  -0.187740
+    1SOL     H6    6  -0.102572   0.143871  -0.127286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097058  -0.056357   0.092411
+    0SOL     H2    2  -0.038825  -0.044968   0.017301
+    0SOL     H3    3  -0.164530  -0.116817   0.061516
+    1SOL     O4    4   0.094324   0.056243  -0.083465
+    1SOL     H5    5   0.102869   0.052933  -0.178746
+    1SOL     H6    6   0.157627   0.122573  -0.055983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056357   0.073778  -0.103479
+    0SOL     H2    2   0.109048   0.097600  -0.179757
+    0SOL     H3    3   0.095811   0.122241  -0.030974
+    1SOL     O4    4  -0.064945  -0.072237   0.106580
+    1SOL     H5    5  -0.031385  -0.078321   0.017143
+    1SOL     H6    6  -0.033285  -0.151696   0.149549
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101631   0.026221  -0.097891
+    0SOL     H2    2  -0.056966   0.020043  -0.182325
+    0SOL     H3    3  -0.092735   0.118138  -0.072703
+    1SOL     O4    4   0.095850  -0.028168   0.105440
+    1SOL     H5    5   0.064607  -0.094492   0.043899
+    1SOL     H6    6   0.187233  -0.013771   0.080859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086163   0.101567  -0.062233
+    0SOL     H2    2  -0.064185   0.049602   0.015090
+    0SOL     H3    3  -0.069543   0.192065  -0.035846
+    1SOL     O4    4   0.081067  -0.108142   0.052488
+    1SOL     H5    5   0.125865  -0.026246   0.031309
+    1SOL     H6    6   0.088993  -0.115940   0.147560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.114609  -0.011883   0.091144
+    0SOL     H2    2   0.149749  -0.095462   0.121838
+    0SOL     H3    3   0.051010  -0.035886   0.023755
+    1SOL     O4    4  -0.108138   0.017966  -0.085108
+    1SOL     H5    5  -0.170179  -0.049688  -0.112242
+    1SOL     H6    6  -0.135738   0.096310  -0.132677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034592   0.077649  -0.122280
+    0SOL     H2    2   0.017888   0.005082  -0.062136
+    0SOL     H3    3   0.121419   0.059504  -0.158253
+    1SOL     O4    4  -0.043639  -0.068902   0.116686
+    1SOL     H5    5  -0.024050  -0.162016   0.127100
+    1SOL     H6    6   0.018202  -0.024714   0.174870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123749   0.058175  -0.050455
+    0SOL     H2    2   0.102739   0.047908  -0.143275
+    0SOL     H3    3   0.082136   0.140658  -0.025411
+    1SOL     O4    4  -0.121275  -0.058465   0.048789
+    1SOL     H5    5  -0.184096  -0.117520   0.090362
+    1SOL     H6    6  -0.042435  -0.065548   0.102608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013472  -0.150171   0.026975
+    0SOL     H2    2   0.000693  -0.059058   0.053382
+    0SOL     H3    3   0.024433  -0.146308  -0.068037
+    1SOL     O4    4  -0.010274   0.141296  -0.028264
+    1SOL     H5    5  -0.096777   0.182219  -0.030470
+    1SOL     H6    6   0.020489   0.155019   0.061333
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123201   0.072524   0.024973
+    0SOL     H2    2   0.108367   0.167079   0.026241
+    0SOL     H3    3   0.187714   0.059282  -0.044490
+    1SOL     O4    4  -0.133047  -0.080045  -0.021043
+    1SOL     H5    5  -0.072618  -0.063514  -0.093413
+    1SOL     H6    6  -0.087681  -0.046442   0.056255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127217   0.031061  -0.061936
+    0SOL     H2    2  -0.221864   0.025741  -0.075203
+    0SOL     H3    3  -0.090154   0.022531  -0.149776
+    1SOL     O4    4   0.133710  -0.033903   0.071262
+    1SOL     H5    5   0.148611  -0.007106  -0.019415
+    1SOL     H6    6   0.051867   0.009200   0.095883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052266  -0.063354   0.129377
+    0SOL     H2    2  -0.000739  -0.057335   0.208854
+    0SOL     H3    3   0.004372  -0.011638   0.064616
+    1SOL     O4    4  -0.045603   0.056427  -0.124564
+    1SOL     H5    5   0.000280   0.031628  -0.204826
+    1SOL     H6    6  -0.090451   0.138017  -0.146789
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118975  -0.083855   0.018611
+    0SOL     H2    2   0.201886  -0.131049   0.026403
+    0SOL     H3    3   0.052404  -0.148061   0.043273
+    1SOL     O4    4  -0.121138   0.096211  -0.019746
+    1SOL     H5    5  -0.034082   0.058683  -0.032980
+    1SOL     H6    6  -0.179894   0.020657  -0.018426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110956  -0.063070  -0.069607
+    0SOL     H2    2  -0.200767  -0.065068  -0.102656
+    0SOL     H3    3  -0.069697  -0.140672  -0.107527
+    1SOL     O4    4   0.117477   0.072224   0.076434
+    1SOL     H5    5   0.147572   0.001197   0.019761
+    1SOL     H6    6   0.022815   0.059479   0.082671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064308  -0.135255  -0.010262
+    0SOL     H2    2   0.065306  -0.143499   0.085097
+    0SOL     H3    3   0.156346  -0.141340  -0.035841
+    1SOL     O4    4  -0.076585   0.134289   0.005085
+    1SOL     H5    5  -0.046451   0.220742   0.033015
+    1SOL     H6    6   0.003676   0.083316  -0.005975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002681   0.051780  -0.138996
+    0SOL     H2    2  -0.016280   0.038196  -0.232766
+    0SOL     H3    3   0.043430   0.135468  -0.133309
+    1SOL     O4    4  -0.002032  -0.061230   0.143186
+    1SOL     H5    5   0.059786  -0.035189   0.211470
+    1SOL     H6    6  -0.007343   0.014848   0.085339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058488   0.034308   0.135924
+    0SOL     H2    2  -0.121923  -0.037307   0.132808
+    0SOL     H3    3  -0.110673   0.113238   0.121463
+    1SOL     O4    4   0.062158  -0.035000  -0.139125
+    1SOL     H5    5   0.040352  -0.004554  -0.051035
+    1SOL     H6    6   0.154679  -0.058999  -0.134005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035527  -0.147546   0.050802
+    0SOL     H2    2  -0.025398  -0.096714   0.131275
+    0SOL     H3    3  -0.013904  -0.086063  -0.019302
+    1SOL     O4    4   0.035422   0.134930  -0.050050
+    1SOL     H5    5   0.042097   0.180991  -0.133693
+    1SOL     H6    6  -0.003782   0.198825   0.009471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051512   0.044195  -0.144930
+    0SOL     H2    2  -0.037580   0.130883  -0.106805
+    0SOL     H3    3  -0.010304  -0.016128  -0.083081
+    1SOL     O4    4   0.050052  -0.040397   0.134708
+    1SOL     H5    5  -0.021258  -0.042302   0.198532
+    1SOL     H6    6   0.093239  -0.125266   0.144435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076700   0.036192   0.128283
+    0SOL     H2    2   0.009842  -0.002900   0.140304
+    0SOL     H3    3  -0.134606  -0.016224   0.183617
+    1SOL     O4    4   0.082238  -0.031270  -0.130457
+    1SOL     H5    5   0.008711  -0.051364  -0.072557
+    1SOL     H6    6   0.041400  -0.006805  -0.213500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113247  -0.008841  -0.103839
+    0SOL     H2    2  -0.150801  -0.049298  -0.182039
+    0SOL     H3    3  -0.019103  -0.006363  -0.120955
+    1SOL     O4    4   0.104696   0.012041   0.114586
+    1SOL     H5    5   0.127006  -0.069577   0.069830
+    1SOL     H6    6   0.163001   0.077347   0.075883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002628   0.136415   0.065056
+    0SOL     H2    2   0.071810   0.195307   0.034925
+    0SOL     H3    3  -0.077326   0.188811   0.060124
+    1SOL     O4    4   0.003466  -0.147046  -0.063904
+    1SOL     H5    5  -0.003251  -0.067395  -0.011245
+    1SOL     H6    6  -0.083996  -0.158738  -0.100998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.086397  -0.045015  -0.118716
+    0SOL     H2    2   0.174657  -0.067465  -0.148186
+    0SOL     H3    3   0.053428  -0.125299  -0.078345
+    1SOL     O4    4  -0.090504   0.048942   0.124744
+    1SOL     H5    5  -0.008006   0.070541   0.081271
+    1SOL     H6    6  -0.155433   0.049023   0.054412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124279   0.094578   0.041035
+    0SOL     H2    2   0.101034   0.173847  -0.007322
+    0SOL     H3    3   0.060912   0.029114   0.011687
+    1SOL     O4    4  -0.113326  -0.094132  -0.033671
+    1SOL     H5    5  -0.139905  -0.169730  -0.086025
+    1SOL     H6    6  -0.190860  -0.038046  -0.031418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.147711  -0.014876  -0.068472
+    0SOL     H2    2  -0.105133   0.061711  -0.106993
+    0SOL     H3    3  -0.111007  -0.020915   0.019725
+    1SOL     O4    4   0.139020   0.007246   0.065058
+    1SOL     H5    5   0.173550   0.043798   0.146507
+    1SOL     H6    6   0.191804   0.047805  -0.003726
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064018  -0.144796   0.023138
+    0SOL     H2    2   0.117753  -0.134667  -0.055425
+    0SOL     H3    3   0.127205  -0.151652   0.094712
+    1SOL     O4    4  -0.069134   0.146528  -0.029363
+    1SOL     H5    5  -0.029869   0.073467   0.018413
+    1SOL     H6    6  -0.124758   0.190240   0.035116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022839   0.096918  -0.129373
+    0SOL     H2    2   0.036423   0.134598  -0.064330
+    0SOL     H3    3  -0.024422   0.161060  -0.200406
+    1SOL     O4    4   0.020444  -0.102565   0.136468
+    1SOL     H5    5  -0.043529  -0.053116   0.085238
+    1SOL     H6    6   0.065970  -0.156826   0.072083
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109198  -0.017019   0.126491
+    0SOL     H2    2   0.082143  -0.042319   0.214753
+    0SOL     H3    3   0.070141   0.069361   0.113252
+    1SOL     O4    4  -0.113067   0.014613  -0.130601
+    1SOL     H5    5  -0.063920  -0.053265  -0.084345
+    1SOL     H6    6  -0.045877   0.070437  -0.169734
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126912   0.119605   0.011227
+    0SOL     H2    2  -0.062054   0.062593  -0.030070
+    0SOL     H3    3  -0.161726   0.067751   0.083764
+    1SOL     O4    4   0.119405  -0.115304  -0.015437
+    1SOL     H5    5   0.129204  -0.053827   0.057274
+    1SOL     H6    6   0.208966  -0.132688  -0.044402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.174219  -0.037478  -0.039299
+    0SOL     H2    2   0.234997  -0.111326  -0.043174
+    0SOL     H3    3   0.088881  -0.077483  -0.022586
+    1SOL     O4    4  -0.173721   0.040602   0.031862
+    1SOL     H5    5  -0.148895   0.123935   0.071882
+    1SOL     H6    6  -0.187024  -0.018566   0.105919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030395   0.176299  -0.045473
+    0SOL     H2    2   0.123004   0.199560  -0.038773
+    0SOL     H3    3   0.014075   0.120593   0.030638
+    1SOL     O4    4  -0.039852  -0.171910   0.043677
+    1SOL     H5    5   0.034730  -0.219378   0.080374
+    1SOL     H6    6  -0.024166  -0.171869  -0.050749
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.160400   0.002402   0.098850
+    0SOL     H2    2  -0.148629  -0.008041   0.004432
+    0SOL     H3    3  -0.082953  -0.038593   0.137370
+    1SOL     O4    4   0.158730   0.005130  -0.098589
+    1SOL     H5    5   0.131829  -0.003733  -0.007156
+    1SOL     H6    6   0.125757  -0.074046  -0.141090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.157269   0.089011  -0.053458
+    0SOL     H2    2   0.080053   0.067369  -0.105723
+    0SOL     H3    3   0.124637   0.094700   0.036348
+    1SOL     O4    4  -0.151447  -0.089148   0.045379
+    1SOL     H5    5  -0.136950  -0.009236   0.096037
+    1SOL     H6    6  -0.176174  -0.154732   0.110568
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057724  -0.149538   0.098213
+    0SOL     H2    2  -0.051446  -0.084819   0.027968
+    0SOL     H3    3   0.029792  -0.187971   0.103327
+    1SOL     O4    4   0.052665   0.141264  -0.095304
+    1SOL     H5    5   0.065677   0.206553  -0.164082
+    1SOL     H6    6   0.033020   0.192569  -0.016919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078929  -0.113474   0.118782
+    0SOL     H2    2   0.168762  -0.120880   0.150991
+    0SOL     H3    3   0.075996  -0.171083   0.042396
+    1SOL     O4    4  -0.079552   0.116132  -0.121524
+    1SOL     H5    5  -0.084298   0.064746  -0.040906
+    1SOL     H6    6  -0.149636   0.180762  -0.112949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043251   0.139496   0.116011
+    0SOL     H2    2   0.052323   0.096927   0.030760
+    0SOL     H3    3   0.089679   0.222646   0.106378
+    1SOL     O4    4  -0.045722  -0.147486  -0.107023
+    1SOL     H5    5  -0.125027  -0.093890  -0.106309
+    1SOL     H6    6   0.015907  -0.098432  -0.161409
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123607  -0.074195   0.120577
+    0SOL     H2    2   0.080349  -0.055173   0.037335
+    0SOL     H3    3   0.197769  -0.129892   0.096906
+    1SOL     O4    4  -0.123790   0.071631  -0.110483
+    1SOL     H5    5  -0.156250   0.160349  -0.095062
+    1SOL     H6    6  -0.118624   0.064192  -0.205774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.141630   0.131130  -0.014212
+    0SOL     H2    2   0.125343   0.123488  -0.108226
+    0SOL     H3    3   0.075320   0.192858   0.016692
+    1SOL     O4    4  -0.141556  -0.133103   0.022437
+    1SOL     H5    5  -0.051694  -0.162594   0.037183
+    1SOL     H6    6  -0.148715  -0.124558  -0.072631
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051750   0.177889  -0.080185
+    0SOL     H2    2   0.028762   0.164735   0.011798
+    0SOL     H3    3   0.024574   0.267699  -0.099108
+    1SOL     O4    4  -0.054022  -0.179546   0.073825
+    1SOL     H5    5  -0.047573  -0.263777   0.118835
+    1SOL     H6    6   0.036714  -0.154957   0.055804
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125583  -0.134564  -0.085870
+    0SOL     H2    2   0.117738  -0.091488  -0.170989
+    0SOL     H3    3   0.217414  -0.122966  -0.061477
+    1SOL     O4    4  -0.132439   0.138942   0.087535
+    1SOL     H5    5  -0.123211   0.101658   0.175211
+    1SOL     H6    6  -0.118751   0.064917   0.028414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062815  -0.026890   0.195238
+    0SOL     H2    2  -0.105112   0.030512   0.259099
+    0SOL     H3    3  -0.034369   0.031902   0.125262
+    1SOL     O4    4   0.064284   0.027068  -0.194559
+    1SOL     H5    5   0.073111  -0.035684  -0.122819
+    1SOL     H6    6   0.049413  -0.027058  -0.272094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.142643  -0.124360  -0.075761
+    0SOL     H2    2  -0.107161  -0.206230  -0.110410
+    0SOL     H3    3  -0.234843  -0.125384  -0.101459
+    1SOL     O4    4   0.145319   0.125651   0.084833
+    1SOL     H5    5   0.094984   0.113970   0.004259
+    1SOL     H6    6   0.202342   0.200407   0.066883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011137  -0.181377  -0.094935
+    0SOL     H2    2   0.045443  -0.148436  -0.164763
+    0SOL     H3    3  -0.039408  -0.267536  -0.125591
+    1SOL     O4    4   0.012674   0.179127   0.101351
+    1SOL     H5    5   0.006598   0.259950   0.152274
+    1SOL     H6    6  -0.043336   0.194440   0.025255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021467  -0.199056   0.086594
+    0SOL     H2    2   0.074636  -0.182184   0.008808
+    0SOL     H3    3  -0.053724  -0.140537   0.077423
+    1SOL     O4    4  -0.022576   0.191296  -0.076754
+    1SOL     H5    5   0.029236   0.154902  -0.148541
+    1SOL     H6    6  -0.027411   0.284989  -0.095743
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.156880  -0.105603  -0.084850
+    0SOL     H2    2  -0.204748  -0.164833  -0.142839
+    0SOL     H3    3  -0.153083  -0.151852  -0.001130
+    1SOL     O4    4   0.165720   0.115067   0.083292
+    1SOL     H5    5   0.149456   0.021737   0.069602
+    1SOL     H6    6   0.078520   0.153650   0.091648
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050280  -0.170668  -0.123951
+    0SOL     H2    2   0.015758  -0.187316  -0.036239
+    0SOL     H3    3   0.116496  -0.238553  -0.136963
+    1SOL     O4    4  -0.055639   0.178902   0.115637
+    1SOL     H5    5  -0.084201   0.102277   0.165388
+    1SOL     H6    6   0.036285   0.190287   0.139774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036722   0.063914   0.211412
+    0SOL     H2    2  -0.019121  -0.020935   0.252072
+    0SOL     H3    3   0.006945   0.059287   0.126358
+    1SOL     O4    4   0.032757  -0.065957  -0.208335
+    1SOL     H5    5   0.082550  -0.010240  -0.148514
+    1SOL     H6    6  -0.014819  -0.004583  -0.264300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.163984  -0.146068  -0.043270
+    0SOL     H2    2   0.136121  -0.228474  -0.003330
+    0SOL     H3    3   0.100938  -0.131011  -0.113703
+    1SOL     O4    4  -0.159456   0.143687   0.043232
+    1SOL     H5    5  -0.190687   0.182720   0.124861
+    1SOL     H6    6  -0.119866   0.216538  -0.004598
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.227478   0.021192  -0.046117
+    0SOL     H2    2   0.140084  -0.010904  -0.068352
+    0SOL     H3    3   0.227156   0.027474   0.049396
+    1SOL     O4    4  -0.224293  -0.023013   0.036328
+    1SOL     H5    5  -0.231338   0.070168   0.057062
+    1SOL     H6    6  -0.196281  -0.063782   0.118276
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.219197   0.024101  -0.054436
+    0SOL     H2    2   0.310397  -0.004500  -0.049240
+    0SOL     H3    3   0.183313  -0.023598  -0.129265
+    1SOL     O4    4  -0.217848  -0.015401   0.057620
+    1SOL     H5    5  -0.262654  -0.049436   0.135055
+    1SOL     H6    6  -0.249583  -0.069921  -0.014372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.214734  -0.008773  -0.084054
+    0SOL     H2    2  -0.188236   0.073400  -0.042729
+    0SOL     H3    3  -0.287842   0.015436  -0.140900
+    1SOL     O4    4   0.222437   0.005425   0.088873
+    1SOL     H5    5   0.154810   0.053591   0.041239
+    1SOL     H6    6   0.204251  -0.086607   0.069858
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.240363  -0.015209   0.030982
+    0SOL     H2    2   0.195406  -0.005287  -0.052939
+    0SOL     H3    3   0.257565  -0.109106   0.038038
+    1SOL     O4    4  -0.243481   0.020493  -0.023463
+    1SOL     H5    5  -0.185723   0.093297  -0.046395
+    1SOL     H6    6  -0.200237  -0.056802  -0.059764
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.232582  -0.083115  -0.019058
+    0SOL     H2    2   0.232042  -0.024558  -0.094775
+    0SOL     H3    3   0.140188  -0.094205   0.003363
+    1SOL     O4    4  -0.222727   0.083184   0.025736
+    1SOL     H5    5  -0.252646   0.105600  -0.062381
+    1SOL     H6    6  -0.273292   0.005364   0.049177
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088410  -0.156894   0.174236
+    0SOL     H2    2  -0.001099  -0.136608   0.207814
+    0SOL     H3    3  -0.109848  -0.083194   0.117044
+    1SOL     O4    4   0.085568   0.153078  -0.167444
+    1SOL     H5    5   0.110858   0.197661  -0.248284
+    1SOL     H6    6   0.038932   0.074806  -0.196785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133785   0.037739   0.209063
+    0SOL     H2    2   0.104679   0.048497   0.118512
+    0SOL     H3    3   0.059657  -0.003564   0.253352
+    1SOL     O4    4  -0.122694  -0.031086  -0.207061
+    1SOL     H5    5  -0.109418  -0.125818  -0.210509
+    1SOL     H6    6  -0.216508  -0.020560  -0.191234
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125408   0.123078   0.167019
+    0SOL     H2    2  -0.136707   0.059472   0.237651
+    0SOL     H3    3  -0.076549   0.194988   0.207069
+    1SOL     O4    4   0.125381  -0.126307  -0.178303
+    1SOL     H5    5   0.173036  -0.099382  -0.099777
+    1SOL     H6    6   0.033948  -0.105340  -0.159258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.114503   0.157436  -0.158556
+    0SOL     H2    2   0.028043   0.188426  -0.185513
+    0SOL     H3    3   0.096630   0.093127  -0.089947
+    1SOL     O4    4  -0.109691  -0.151171   0.150770
+    1SOL     H5    5  -0.090147  -0.244727   0.145523
+    1SOL     H6    6  -0.110376  -0.132020   0.244552
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006506  -0.084935  -0.231975
+    0SOL     H2    2   0.099138  -0.066528  -0.247559
+    0SOL     H3    3  -0.039933  -0.027892  -0.293228
+    1SOL     O4    4  -0.015334   0.083349   0.236558
+    1SOL     H5    5   0.061850   0.123517   0.276451
+    1SOL     H6    6   0.018696   0.006862   0.190148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104134  -0.068680  -0.214914
+    0SOL     H2    2   0.064209  -0.155676  -0.215169
+    0SOL     H3    3   0.133520  -0.055496  -0.305052
+    1SOL     O4    4  -0.105556   0.077751   0.220940
+    1SOL     H5    5  -0.082200   0.001406   0.273744
+    1SOL     H6    6  -0.092856   0.049158   0.130478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048320   0.075664  -0.258639
+    0SOL     H2    2  -0.136352   0.061529  -0.223813
+    0SOL     H3    3  -0.006203   0.133206  -0.194784
+    1SOL     O4    4   0.052335  -0.073056   0.248730
+    1SOL     H5    5   0.075306  -0.165457   0.238898
+    1SOL     H6    6   0.007962  -0.068236   0.333406
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.150622  -0.113809   0.185834
+    0SOL     H2    2   0.194206  -0.052334   0.244856
+    0SOL     H3    3   0.117421  -0.182797   0.243284
+    1SOL     O4    4  -0.153938   0.116002  -0.187230
+    1SOL     H5    5  -0.188476   0.092646  -0.273391
+    1SOL     H6    6  -0.059057   0.107060  -0.196178
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097210  -0.237881  -0.121356
+    0SOL     H2    2   0.157255  -0.258954  -0.192860
+    0SOL     H3    3   0.131375  -0.156388  -0.084558
+    1SOL     O4    4  -0.101947   0.230055   0.127649
+    1SOL     H5    5  -0.174285   0.253337   0.069446
+    1SOL     H6    6  -0.032102   0.291409   0.104853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032313   0.073457   0.276700
+    0SOL     H2    2   0.035027   0.065456   0.181354
+    0SOL     H3    3  -0.060392   0.085747   0.297122
+    1SOL     O4    4  -0.031764  -0.073728  -0.276699
+    1SOL     H5    5   0.038627  -0.009347  -0.268798
+    1SOL     H6    6  -0.015748  -0.135659  -0.205493
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013076   0.163496   0.250579
+    0SOL     H2    2   0.034995   0.071996   0.232983
+    0SOL     H3    3  -0.027767   0.194370   0.169703
+    1SOL     O4    4  -0.011286  -0.165598  -0.249454
+    1SOL     H5    5  -0.065587  -0.086916  -0.254241
+    1SOL     H6    6   0.035782  -0.157264  -0.166524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.158617  -0.112353   0.238871
+    0SOL     H2    2  -0.186043  -0.082295   0.325512
+    0SOL     H3    3  -0.239117  -0.112961   0.187086
+    1SOL     O4    4   0.162243   0.110908  -0.246326
+    1SOL     H5    5   0.118788   0.137724  -0.165363
+    1SOL     H6    6   0.248600   0.080582  -0.218304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.168474   0.278322  -0.046101
+    0SOL     H2    2  -0.100787   0.265619   0.020378
+    0SOL     H3    3  -0.181768   0.373070  -0.049015
+    1SOL     O4    4   0.164215  -0.289585   0.045229
+    1SOL     H5    5   0.188758  -0.276560  -0.046370
+    1SOL     H6    6   0.154306  -0.201051   0.080241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.210122  -0.163660  -0.208599
+    0SOL     H2    2   0.305044  -0.175492  -0.205116
+    0SOL     H3    3   0.185067  -0.195991  -0.295139
+    1SOL     O4    4  -0.213527   0.160656   0.208639
+    1SOL     H5    5  -0.139805   0.204064   0.251572
+    1SOL     H6    6  -0.290647   0.208280   0.239407
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139782   0.207147  -0.246161
+    0SOL     H2    2   0.077372   0.138364  -0.269321
+    0SOL     H3    3   0.206488   0.203093  -0.314690
+    1SOL     O4    4  -0.135203  -0.205248   0.254475
+    1SOL     H5    5  -0.208075  -0.157597   0.294243
+    1SOL     H6    6  -0.158621  -0.212020   0.161912
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153385  -0.320279   0.078251
+    0SOL     H2    2   0.097586  -0.398049   0.079020
+    0SOL     H3    3   0.124051  -0.270449   0.001969
+    1SOL     O4    4  -0.153970   0.321025  -0.076031
+    1SOL     H5    5  -0.103847   0.255696  -0.027224
+    1SOL     H6    6  -0.096024   0.397062  -0.080830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043587  -0.324754   0.151349
+    0SOL     H2    2   0.000153  -0.409151   0.162582
+    0SOL     H3    3  -0.039868  -0.308144   0.057154
+    1SOL     O4    4   0.038603   0.326345  -0.152546
+    1SOL     H5    5   0.088758   0.272753  -0.091108
+    1SOL     H6    6   0.029028   0.410773  -0.108473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090734   0.101591  -0.359065
+    0SOL     H2    2   0.144418   0.032871  -0.319594
+    0SOL     H3    3   0.153043   0.170563  -0.381928
+    1SOL     O4    4  -0.099938  -0.106412   0.354951
+    1SOL     H5    5  -0.006548  -0.101021   0.375241
+    1SOL     H6    6  -0.137829  -0.028372   0.395402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.275583  -0.219970   0.153515
+    0SOL     H2    2   0.240685  -0.225440   0.242478
+    0SOL     H3    3   0.282647  -0.311029   0.124866
+    1SOL     O4    4  -0.276636   0.221895  -0.161473
+    1SOL     H5    5  -0.184659   0.247838  -0.156053
+    1SOL     H6    6  -0.317237   0.261145  -0.084186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120416   0.172255  -0.342506
+    0SOL     H2    2  -0.097194   0.232750  -0.412957
+    0SOL     H3    3  -0.180903   0.110183  -0.383136
+    1SOL     O4    4   0.126214  -0.175463   0.354188
+    1SOL     H5    5   0.066534  -0.101406   0.364965
+    1SOL     H6    6   0.125266  -0.193569   0.260201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.311920   0.199335   0.200119
+    0SOL     H2    2   0.217977   0.182712   0.207910
+    0SOL     H3    3   0.348623   0.169030   0.283166
+    1SOL     O4    4  -0.309599  -0.192743  -0.200477
+    1SOL     H5    5  -0.337993  -0.284088  -0.196991
+    1SOL     H6    6  -0.267241  -0.184020  -0.285870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.323315   0.044691  -0.394516
+    0SOL     H2    2  -0.348111   0.032739  -0.302839
+    0SOL     H3    3  -0.346486  -0.038084  -0.436631
+    1SOL     O4    4   0.330922  -0.040463   0.387518
+    1SOL     H5    5   0.337782   0.022177   0.459570
+    1SOL     H6    6   0.241435  -0.073950   0.393269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.396774  -0.083025   0.351726
+    0SOL     H2    2  -0.312903  -0.063326   0.393439
+    0SOL     H3    3  -0.462348  -0.059264   0.417283
+    1SOL     O4    4   0.389849   0.079049  -0.359141
+    1SOL     H5    5   0.423763   0.074662  -0.269738
+    1SOL     H6    6   0.462467   0.114191  -0.410657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.284543   0.254441   0.514215
+    0SOL     H2    2  -0.315640   0.307333   0.587685
+    0SOL     H3    3  -0.231784   0.314754   0.461859
+    1SOL     O4    4   0.281896  -0.255617  -0.515751
+    1SOL     H5    5   0.287223  -0.309531  -0.436838
+    1SOL     H6    6   0.305368  -0.315029  -0.587036
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039774   0.058474   0.116378
+    0SOL     H2    2  -0.012712  -0.004728   0.165500
+    0SOL     H3    3   0.039872   0.025031   0.026690
+    1SOL     O4    4  -0.033226  -0.051127  -0.109061
+    1SOL     H5    5  -0.044959  -0.140644  -0.140861
+    1SOL     H6    6  -0.085358   0.002568  -0.168738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065282   0.040414   0.108377
+    0SOL     H2    2   0.153279   0.038270   0.070769
+    0SOL     H3    3   0.065950  -0.028367   0.174942
+    1SOL     O4    4  -0.070328  -0.036804  -0.116953
+    1SOL     H5    5   0.005639  -0.020710  -0.060985
+    1SOL     H6    6  -0.143300  -0.047363  -0.055914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073377  -0.092062  -0.059914
+    0SOL     H2    2  -0.082900  -0.127581   0.028460
+    0SOL     H3    3  -0.158792  -0.106127  -0.100764
+    1SOL     O4    4   0.077531   0.093326   0.062965
+    1SOL     H5    5   0.028601   0.070447  -0.016060
+    1SOL     H6    6   0.150643   0.146430   0.031391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003288   0.098947   0.084461
+    0SOL     H2    2   0.069767   0.120406   0.142468
+    0SOL     H3    3  -0.052113   0.180848   0.076052
+    1SOL     O4    4   0.000141  -0.105624  -0.093434
+    1SOL     H5    5  -0.006421  -0.165071  -0.018698
+    1SOL     H6    6   0.039082  -0.025960  -0.057384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057434   0.085424  -0.093216
+    0SOL     H2    2  -0.042533   0.002674  -0.047470
+    0SOL     H3    3  -0.141118   0.073314  -0.138080
+    1SOL     O4    4   0.057159  -0.074372   0.095102
+    1SOL     H5    5   0.142450  -0.097059   0.132157
+    1SOL     H6    6   0.043965  -0.137805   0.024642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092019   0.072689   0.082578
+    0SOL     H2    2  -0.017907   0.059998   0.023344
+    0SOL     H3    3  -0.153635   0.003290   0.059135
+    1SOL     O4    4   0.088287  -0.062536  -0.076722
+    1SOL     H5    5   0.090718  -0.118687  -0.154204
+    1SOL     H6    6   0.145288  -0.106355  -0.013531
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.117618  -0.078443  -0.016677
+    0SOL     H2    2  -0.094281   0.008805   0.015033
+    0SOL     H3    3  -0.075625  -0.084829  -0.102456
+    1SOL     O4    4   0.111392   0.069876   0.024400
+    1SOL     H5    5   0.140399   0.161072   0.026461
+    1SOL     H6    6   0.127058   0.041742  -0.065741
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003624  -0.069627   0.115032
+    0SOL     H2    2   0.042281  -0.147920   0.084613
+    0SOL     H3    3  -0.089606  -0.101407   0.142592
+    1SOL     O4    4   0.002705   0.077462  -0.121464
+    1SOL     H5    5  -0.020640   0.011799  -0.055845
+    1SOL     H6    6   0.075035   0.126173  -0.081995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077063  -0.078467  -0.085443
+    0SOL     H2    2   0.138086  -0.149246  -0.064731
+    0SOL     H3    3   0.000285  -0.096316  -0.031139
+    1SOL     O4    4  -0.070035   0.080230   0.079912
+    1SOL     H5    5  -0.133293   0.112706   0.015833
+    1SOL     H6    6  -0.109823   0.099508   0.164809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130652  -0.039959  -0.046188
+    0SOL     H2    2  -0.038468  -0.016412  -0.035701
+    0SOL     H3    3  -0.138720  -0.125088  -0.003174
+    1SOL     O4    4   0.121212   0.043334   0.039391
+    1SOL     H5    5   0.189093  -0.023882   0.045427
+    1SOL     H6    6   0.144636   0.107212   0.106720
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140288   0.002804   0.004748
+    0SOL     H2    2  -0.119475  -0.017916   0.095852
+    0SOL     H3    3  -0.166437   0.094868   0.006446
+    1SOL     O4    4   0.142254  -0.013218  -0.009524
+    1SOL     H5    5   0.062989   0.014675  -0.055365
+    1SOL     H6    6   0.185279   0.068429   0.015871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056405  -0.020937  -0.126064
+    0SOL     H2    2   0.027710  -0.010004  -0.170420
+    0SOL     H3    3  -0.101110   0.062796  -0.138415
+    1SOL     O4    4   0.059863   0.012637   0.128820
+    1SOL     H5    5  -0.013625   0.016025   0.067580
+    1SOL     H6    6   0.032531   0.067717   0.202178
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034467   0.035592  -0.125939
+    0SOL     H2    2   0.041272   0.037846  -0.184426
+    0SOL     H3    3  -0.109288   0.053595  -0.182859
+    1SOL     O4    4   0.032751  -0.035607   0.138169
+    1SOL     H5    5   0.121942  -0.063223   0.117083
+    1SOL     H6    6  -0.011920  -0.032116   0.053584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058777  -0.101281  -0.085864
+    0SOL     H2    2   0.033363  -0.067445  -0.000007
+    0SOL     H3    3  -0.013703  -0.158252  -0.111621
+    1SOL     O4    4  -0.060247   0.103259   0.080703
+    1SOL     H5    5  -0.024741   0.062297   0.159594
+    1SOL     H6    6   0.016881   0.131225   0.031393
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124504   0.050102   0.062165
+    0SOL     H2    2  -0.034519   0.063331   0.032329
+    0SOL     H3    3  -0.120841  -0.029771   0.114789
+    1SOL     O4    4   0.111366  -0.046923  -0.059772
+    1SOL     H5    5   0.152367   0.037032  -0.080580
+    1SOL     H6    6   0.170132  -0.112350  -0.097563
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104951  -0.078087  -0.056639
+    0SOL     H2    2  -0.118542  -0.115547   0.030392
+    0SOL     H3    3  -0.170022  -0.008185  -0.063107
+    1SOL     O4    4   0.111213   0.079938   0.058245
+    1SOL     H5    5   0.054613   0.002987   0.052124
+    1SOL     H6    6   0.135906   0.098830  -0.032285
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099571  -0.030524   0.090723
+    0SOL     H2    2  -0.183669   0.004971   0.119530
+    0SOL     H3    3  -0.097683  -0.119458   0.126072
+    1SOL     O4    4   0.108323   0.028386  -0.095433
+    1SOL     H5    5   0.053383   0.049539  -0.019959
+    1SOL     H6    6   0.093657   0.100421  -0.156736
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014285  -0.070389  -0.133470
+    0SOL     H2    2  -0.108185  -0.080702  -0.118013
+    0SOL     H3    3   0.014980  -0.010780  -0.064531
+    1SOL     O4    4   0.019452   0.062518   0.123196
+    1SOL     H5    5   0.003125   0.046756   0.216187
+    1SOL     H6    6   0.014894   0.157668   0.113821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017422  -0.037566  -0.134159
+    0SOL     H2    2   0.040308  -0.122857  -0.171090
+    0SOL     H3    3   0.023926   0.023062  -0.207945
+    1SOL     O4    4  -0.021491   0.045419   0.141330
+    1SOL     H5    5   0.029291   0.006866   0.069936
+    1SOL     H6    6  -0.032534  -0.025928   0.204179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043243  -0.138419   0.044945
+    0SOL     H2    2   0.015416  -0.082756  -0.006271
+    0SOL     H3    3  -0.124853  -0.139696  -0.005060
+    1SOL     O4    4   0.047259   0.130954  -0.034245
+    1SOL     H5    5  -0.029977   0.119875  -0.089690
+    1SOL     H6    6   0.082864   0.216159  -0.059439
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007897   0.111860  -0.105145
+    0SOL     H2    2  -0.010543   0.021050  -0.074996
+    0SOL     H3    3  -0.088756   0.150629  -0.071663
+    1SOL     O4    4   0.007085  -0.109848   0.100134
+    1SOL     H5    5   0.087951  -0.157375   0.081047
+    1SOL     H6    6   0.034616  -0.037046   0.155850
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040401   0.001301  -0.152955
+    0SOL     H2    2   0.063353  -0.082358  -0.112499
+    0SOL     H3    3   0.011413   0.056082  -0.080010
+    1SOL     O4    4  -0.043392  -0.002972   0.141378
+    1SOL     H5    5  -0.054356   0.090147   0.160637
+    1SOL     H6    6   0.025762  -0.031818   0.200943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097632  -0.102731   0.059020
+    0SOL     H2    2  -0.066272  -0.045114  -0.010687
+    0SOL     H3    3  -0.152635  -0.166948   0.014151
+    1SOL     O4    4   0.093999   0.101626  -0.048641
+    1SOL     H5    5   0.126197   0.043627  -0.117647
+    1SOL     H6    6   0.144138   0.182391  -0.059839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006922   0.150096   0.001079
+    0SOL     H2    2   0.073016   0.208990   0.037485
+    0SOL     H3    3   0.039722   0.128195  -0.086138
+    1SOL     O4    4  -0.018922  -0.153548   0.000305
+    1SOL     H5    5   0.052114  -0.213722   0.022562
+    1SOL     H6    6   0.018014  -0.066429   0.014742
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025085   0.152905   0.022110
+    0SOL     H2    2   0.055196   0.200367   0.043666
+    0SOL     H3    3   0.005127   0.067733  -0.009440
+    1SOL     O4    4   0.012967  -0.152392  -0.020283
+    1SOL     H5    5   0.088687  -0.141396   0.037230
+    1SOL     H6    6   0.046886  -0.135313  -0.108147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.159889   0.006992  -0.011753
+    0SOL     H2    2  -0.125730  -0.081683  -0.000254
+    0SOL     H3    3  -0.082653   0.060154  -0.031005
+    1SOL     O4    4   0.152703  -0.001054   0.008016
+    1SOL     H5    5   0.144116  -0.096323   0.004520
+    1SOL     H6    6   0.187897   0.016685   0.095246
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106115  -0.024467   0.114769
+    0SOL     H2    2   0.033113  -0.070737   0.073632
+    0SOL     H3    3   0.183507  -0.054633   0.067200
+    1SOL     O4    4  -0.110000   0.023783  -0.107070
+    1SOL     H5    5  -0.057962   0.028988  -0.187241
+    1SOL     H6    6  -0.101868   0.110562  -0.067504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.131759   0.074481   0.036009
+    0SOL     H2    2  -0.038295   0.094557   0.040889
+    0SOL     H3    3  -0.167203   0.104744   0.119616
+    1SOL     O4    4   0.130984  -0.072757  -0.044992
+    1SOL     H5    5   0.038507  -0.097462  -0.044775
+    1SOL     H6    6   0.172663  -0.135265   0.014319
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094534  -0.053683  -0.107958
+    0SOL     H2    2   0.079173   0.033575  -0.144185
+    0SOL     H3    3   0.065385  -0.113653  -0.176633
+    1SOL     O4    4  -0.090908   0.054810   0.109279
+    1SOL     H5    5  -0.033741  -0.010763   0.149209
+    1SOL     H6    6  -0.164684   0.062374   0.169796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017041  -0.070810  -0.131961
+    0SOL     H2    2  -0.048411  -0.044034  -0.196470
+    0SOL     H3    3   0.100876  -0.059707  -0.176803
+    1SOL     O4    4  -0.022253   0.065471   0.142628
+    1SOL     H5    5   0.024023   0.147749   0.158476
+    1SOL     H6    6   0.005680   0.038705   0.055075
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115028  -0.097315  -0.023058
+    0SOL     H2    2  -0.196309  -0.047046  -0.028402
+    0SOL     H3    3  -0.129832  -0.159364   0.048308
+    1SOL     O4    4   0.123656   0.103607   0.019445
+    1SOL     H5    5   0.142508   0.025439  -0.032486
+    1SOL     H6    6   0.047817   0.079396   0.072592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073743  -0.065822  -0.113602
+    0SOL     H2    2   0.154517  -0.017462  -0.096306
+    0SOL     H3    3   0.099264  -0.133545  -0.176248
+    1SOL     O4    4  -0.081683   0.062397   0.121342
+    1SOL     H5    5  -0.082258   0.052886   0.026098
+    1SOL     H6    6  -0.058019   0.153952   0.136175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006328  -0.025422   0.157626
+    0SOL     H2    2  -0.022603  -0.026350   0.063304
+    0SOL     H3    3  -0.093045  -0.015196   0.196843
+    1SOL     O4    4   0.006691   0.028143  -0.153434
+    1SOL     H5    5   0.029074  -0.029900  -0.226183
+    1SOL     H6    6   0.084994   0.028918  -0.098385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032868   0.149462  -0.028466
+    0SOL     H2    2   0.074241   0.167400   0.055966
+    0SOL     H3    3  -0.048016   0.200625  -0.026908
+    1SOL     O4    4  -0.024493  -0.153243   0.025214
+    1SOL     H5    5  -0.098283  -0.151954   0.086171
+    1SOL     H6    6  -0.064677  -0.145141  -0.061285
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065759   0.132704   0.078932
+    0SOL     H2    2  -0.024081   0.117011   0.049866
+    0SOL     H3    3   0.104180   0.045350   0.086374
+    1SOL     O4    4  -0.056791  -0.131122  -0.076027
+    1SOL     H5    5  -0.147085  -0.151993  -0.052074
+    1SOL     H6    6  -0.063094  -0.048219  -0.123457
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131156  -0.065622   0.056139
+    0SOL     H2    2   0.209425  -0.051339   0.109358
+    0SOL     H3    3   0.082749  -0.133954   0.102506
+    1SOL     O4    4  -0.132686   0.075062  -0.063329
+    1SOL     H5    5  -0.056003   0.022344  -0.040906
+    1SOL     H6    6  -0.206370   0.014341  -0.056550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013837   0.039571  -0.162072
+    0SOL     H2    2  -0.034233   0.122410  -0.118665
+    0SOL     H3    3   0.054936   0.000519  -0.108150
+    1SOL     O4    4   0.014766  -0.043145   0.162135
+    1SOL     H5    5  -0.002326  -0.106137   0.092119
+    1SOL     H6    6  -0.030934   0.036327   0.134600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057234   0.147442  -0.005192
+    0SOL     H2    2  -0.122887   0.171777  -0.070459
+    0SOL     H3    3  -0.035821   0.229560   0.039084
+    1SOL     O4    4   0.064441  -0.153279   0.006442
+    1SOL     H5    5   0.005489  -0.228329   0.013830
+    1SOL     H6    6   0.006431  -0.078531  -0.008047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046250   0.151235   0.065007
+    0SOL     H2    2  -0.116406   0.207332   0.031936
+    0SOL     H3    3  -0.013423   0.105649  -0.012496
+    1SOL     O4    4   0.052629  -0.147087  -0.060226
+    1SOL     H5    5   0.081308  -0.236737  -0.042823
+    1SOL     H6    6  -0.042834  -0.150855  -0.054315
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004539   0.099515   0.140508
+    0SOL     H2    2   0.023641   0.069831   0.053980
+    0SOL     H3    3  -0.029492   0.191011   0.127541
+    1SOL     O4    4   0.002539  -0.098094  -0.140928
+    1SOL     H5    5  -0.056873  -0.141162  -0.079465
+    1SOL     H6    6   0.089682  -0.128128  -0.115112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096610  -0.027017  -0.140452
+    0SOL     H2    2  -0.167917  -0.089696  -0.128246
+    0SOL     H3    3  -0.105151   0.033668  -0.066922
+    1SOL     O4    4   0.094835   0.028335   0.133161
+    1SOL     H5    5   0.123975  -0.047694   0.183487
+    1SOL     H6    6   0.173895   0.080964   0.121244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101827  -0.074168  -0.122179
+    0SOL     H2    2  -0.044946  -0.000213  -0.100789
+    0SOL     H3    3  -0.063073  -0.112242  -0.200988
+    1SOL     O4    4   0.095886   0.076853   0.120734
+    1SOL     H5    5   0.079567   0.092236   0.213790
+    1SOL     H6    6   0.120507  -0.015506   0.115634
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093631   0.097746   0.106421
+    0SOL     H2    2  -0.117569   0.083559   0.198007
+    0SOL     H3    3  -0.163371   0.055216   0.056523
+    1SOL     O4    4   0.098332  -0.100259  -0.113047
+    1SOL     H5    5   0.051808  -0.087164  -0.030425
+    1SOL     H6    6   0.154078  -0.022931  -0.121715
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003374  -0.141942  -0.095207
+    0SOL     H2    2   0.086533  -0.174784  -0.094460
+    0SOL     H3    3  -0.026340  -0.136976  -0.187998
+    1SOL     O4    4  -0.000205   0.140287   0.094918
+    1SOL     H5    5   0.050450   0.215766   0.124909
+    1SOL     H6    6  -0.059345   0.120670   0.167581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028600   0.180490   0.001579
+    0SOL     H2    2   0.046037   0.164104  -0.056068
+    0SOL     H3    3  -0.034951   0.101723   0.055594
+    1SOL     O4    4   0.020912  -0.171107   0.003595
+    1SOL     H5    5   0.106536  -0.152635  -0.035002
+    1SOL     H6    6  -0.007357  -0.252312  -0.038464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057389  -0.164162  -0.024419
+    0SOL     H2    2   0.125050  -0.114709   0.021828
+    0SOL     H3    3   0.067989  -0.254102   0.006575
+    1SOL     O4    4  -0.066888   0.171495   0.020835
+    1SOL     H5    5  -0.001161   0.136190   0.080800
+    1SOL     H6    6  -0.050484   0.126415  -0.061996
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113063   0.149699   0.003829
+    0SOL     H2    2  -0.059817   0.070173   0.002161
+    0SOL     H3    3  -0.073307   0.206585  -0.062094
+    1SOL     O4    4   0.107046  -0.143104  -0.003732
+    1SOL     H5    5   0.089600  -0.147511   0.090282
+    1SOL     H6    6   0.135080  -0.231589  -0.027112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.164352   0.060149   0.036894
+    0SOL     H2    2   0.184239   0.024672   0.123544
+    0SOL     H3    3   0.246594   0.099375   0.007569
+    1SOL     O4    4  -0.174495  -0.058533  -0.035788
+    1SOL     H5    5  -0.168967  -0.016031  -0.121376
+    1SOL     H6    6  -0.109503  -0.128703  -0.039595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.163774  -0.080226   0.014228
+    0SOL     H2    2   0.181250   0.007866   0.047345
+    0SOL     H3    3   0.245850  -0.107058  -0.027075
+    1SOL     O4    4  -0.165470   0.070879  -0.011741
+    1SOL     H5    5  -0.255936   0.092370   0.010982
+    1SOL     H6    6  -0.136757   0.143450  -0.067160
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.151518   0.121894  -0.004145
+    0SOL     H2    2   0.144625   0.165403   0.080836
+    0SOL     H3    3   0.098476   0.042746   0.005044
+    1SOL     O4    4  -0.147297  -0.118031  -0.007405
+    1SOL     H5    5  -0.227836  -0.131886   0.042433
+    1SOL     H6    6  -0.077077  -0.139363   0.054049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148765  -0.114546   0.015545
+    0SOL     H2    2   0.078288  -0.136277   0.076562
+    0SOL     H3    3   0.213416  -0.184059   0.027816
+    1SOL     O4    4  -0.146794   0.125978  -0.016787
+    1SOL     H5    5  -0.151730   0.103547  -0.109711
+    1SOL     H6    6  -0.164031   0.043564   0.028744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.183450   0.018113   0.027829
+    0SOL     H2    2  -0.237946  -0.015126  -0.043499
+    0SOL     H3    3  -0.232971  -0.001992   0.107238
+    1SOL     O4    4   0.192292  -0.019147  -0.023719
+    1SOL     H5    5   0.225377   0.039164  -0.092039
+    1SOL     H6    6   0.097214  -0.017394  -0.034642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069646  -0.089735   0.158996
+    0SOL     H2    2   0.155619  -0.051715   0.177037
+    0SOL     H3    3   0.048236  -0.059810   0.070631
+    1SOL     O4    4  -0.073161   0.079601  -0.154925
+    1SOL     H5    5  -0.004145   0.142802  -0.134809
+    1SOL     H6    6  -0.149968   0.133315  -0.174365
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.163713   0.022765   0.111506
+    0SOL     H2    2   0.151526   0.041935   0.204492
+    0SOL     H3    3   0.105289  -0.051096   0.094372
+    1SOL     O4    4  -0.159008  -0.021536  -0.122022
+    1SOL     H5    5  -0.153628   0.065933  -0.083520
+    1SOL     H6    6  -0.179736  -0.078972  -0.048308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161010  -0.042580  -0.138904
+    0SOL     H2    2  -0.085425  -0.084718  -0.179814
+    0SOL     H3    3  -0.139873  -0.040769  -0.045565
+    1SOL     O4    4   0.156579   0.048888   0.140539
+    1SOL     H5    5   0.165995   0.065814   0.046799
+    1SOL     H6    6   0.132530  -0.043605   0.145928
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054897  -0.081567  -0.183978
+    0SOL     H2    2   0.009805  -0.101906  -0.251523
+    0SOL     H3    3  -0.126157  -0.143544  -0.199568
+    1SOL     O4    4   0.052612   0.092912   0.188904
+    1SOL     H5    5   0.019550   0.015389   0.143524
+    1SOL     H6    6   0.126720   0.060848   0.240307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.172498   0.135731   0.014929
+    0SOL     H2    2   0.083215   0.163050  -0.006152
+    0SOL     H3    3   0.197819   0.078504  -0.057503
+    1SOL     O4    4  -0.168355  -0.127240  -0.009680
+    1SOL     H5    5  -0.099078  -0.192426   0.000982
+    1SOL     H6    6  -0.248321  -0.178741  -0.020425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059910  -0.116036   0.165776
+    0SOL     H2    2  -0.030929  -0.150873   0.250089
+    0SOL     H3    3  -0.125577  -0.178628   0.135240
+    1SOL     O4    4   0.065923   0.121367  -0.163994
+    1SOL     H5    5  -0.021380   0.082202  -0.166584
+    1SOL     H6    6   0.076693   0.161709  -0.250127
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.189159  -0.036390  -0.107346
+    0SOL     H2    2  -0.256921  -0.049277  -0.040979
+    0SOL     H3    3  -0.135819   0.035538  -0.073530
+    1SOL     O4    4   0.186179   0.035696   0.096914
+    1SOL     H5    5   0.156148   0.012593   0.184816
+    1SOL     H6    6   0.279307   0.013568   0.096782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056441   0.026458  -0.205208
+    0SOL     H2    2  -0.017245   0.034926  -0.292124
+    0SOL     H3    3  -0.113559   0.102839  -0.197095
+    1SOL     O4    4   0.064093  -0.034711   0.211226
+    1SOL     H5    5   0.041799   0.056876   0.194576
+    1SOL     H6    6  -0.019764  -0.080764   0.208154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.148355  -0.129322  -0.107315
+    0SOL     H2    2  -0.230965  -0.115004  -0.061132
+    0SOL     H3    3  -0.081026  -0.117303  -0.040347
+    1SOL     O4    4   0.151588   0.126613   0.094519
+    1SOL     H5    5   0.102459   0.203213   0.124202
+    1SOL     H6    6   0.155027   0.069184   0.171019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118796  -0.017345   0.194093
+    0SOL     H2    2  -0.026479  -0.002169   0.214332
+    0SOL     H3    3  -0.125143  -0.003985   0.099522
+    1SOL     O4    4   0.118354   0.021889  -0.191692
+    1SOL     H5    5   0.025092   0.010476  -0.209979
+    1SOL     H6    6   0.146431  -0.062599  -0.156539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104041   0.174076   0.112909
+    0SOL     H2    2   0.046355   0.104543   0.144530
+    0SOL     H3    3   0.066254   0.200285   0.028959
+    1SOL     O4    4  -0.097001  -0.171782  -0.115997
+    1SOL     H5    5  -0.043517  -0.178783  -0.036922
+    1SOL     H6    6  -0.186759  -0.164060  -0.083654
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077216  -0.205556  -0.079258
+    0SOL     H2    2  -0.136932  -0.143785  -0.037060
+    0SOL     H3    3   0.008572  -0.185304  -0.041939
+    1SOL     O4    4   0.079453   0.199755   0.079109
+    1SOL     H5    5   0.024227   0.275578   0.060050
+    1SOL     H6    6   0.059110   0.137170   0.009599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028385  -0.036489  -0.223890
+    0SOL     H2    2  -0.050841   0.017031  -0.219294
+    0SOL     H3    3  -0.003750  -0.126402  -0.230624
+    1SOL     O4    4  -0.022968   0.035020   0.229597
+    1SOL     H5    5   0.054997   0.089474   0.218706
+    1SOL     H6    6  -0.069525   0.042839   0.146329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146736   0.082927   0.148944
+    0SOL     H2    2  -0.240688   0.098140   0.159137
+    0SOL     H3    3  -0.105530   0.149522   0.203986
+    1SOL     O4    4   0.156048  -0.089051  -0.150736
+    1SOL     H5    5   0.125759  -0.095447  -0.241312
+    1SOL     H6    6   0.078459  -0.062636  -0.101294
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146600   0.086115  -0.167893
+    0SOL     H2    2  -0.143714   0.155009  -0.101502
+    0SOL     H3    3  -0.085378   0.019695  -0.136229
+    1SOL     O4    4   0.148087  -0.085565   0.168418
+    1SOL     H5    5   0.137990  -0.151229   0.099507
+    1SOL     H6    6   0.078004  -0.022490   0.151919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077953  -0.143933  -0.176914
+    0SOL     H2    2  -0.102544  -0.053334  -0.195609
+    0SOL     H3    3  -0.063580  -0.145863  -0.082299
+    1SOL     O4    4   0.081815   0.144255   0.169818
+    1SOL     H5    5   0.046775   0.067306   0.124947
+    1SOL     H6    6   0.060526   0.130021   0.262048
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.168772   0.048863   0.157328
+    0SOL     H2    2  -0.139113   0.112732   0.222162
+    0SOL     H3    3  -0.135253  -0.034962   0.189142
+    1SOL     O4    4   0.168496  -0.045845  -0.156526
+    1SOL     H5    5   0.175987  -0.132007  -0.197541
+    1SOL     H6    6   0.111684   0.003884  -0.215362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.109833   0.171978   0.119035
+    0SOL     H2    2  -0.181684   0.147856   0.060572
+    0SOL     H3    3  -0.134421   0.258005   0.153050
+    1SOL     O4    4   0.112897  -0.180734  -0.119754
+    1SOL     H5    5   0.064022  -0.098462  -0.121964
+    1SOL     H6    6   0.197766  -0.157231  -0.082243
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.181324   0.059154  -0.146616
+    0SOL     H2    2   0.191837   0.074623  -0.240491
+    0SOL     H3    3   0.173876   0.146666  -0.108558
+    1SOL     O4    4  -0.175785  -0.062901   0.150762
+    1SOL     H5    5  -0.214326  -0.104741   0.073779
+    1SOL     H6    6  -0.245497  -0.064436   0.216338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.236077   0.062043   0.015271
+    0SOL     H2    2   0.150955   0.099951  -0.006628
+    0SOL     H3    3   0.289295   0.136751   0.042636
+    1SOL     O4    4  -0.236142  -0.074872  -0.011944
+    1SOL     H5    5  -0.224946  -0.061596  -0.106076
+    1SOL     H6    6  -0.217120   0.010576   0.026774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042044   0.136971   0.198977
+    0SOL     H2    2  -0.077259   0.206945   0.253985
+    0SOL     H3    3  -0.018971   0.180338   0.116823
+    1SOL     O4    4   0.047620  -0.137459  -0.197827
+    1SOL     H5    5   0.048950  -0.228724  -0.168996
+    1SOL     H6    6  -0.042643  -0.122489  -0.225949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.223652  -0.064893  -0.098279
+    0SOL     H2    2  -0.269732  -0.090454  -0.018369
+    0SOL     H3    3  -0.218061   0.030532  -0.093277
+    1SOL     O4    4   0.225893   0.057350   0.088367
+    1SOL     H5    5   0.166127   0.043789   0.161895
+    1SOL     H6    6   0.280861   0.130914   0.115373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011747   0.071020   0.245358
+    0SOL     H2    2  -0.068573   0.033405   0.281361
+    0SOL     H3    3   0.064705  -0.004753   0.220533
+    1SOL     O4    4  -0.003772  -0.064139  -0.245143
+    1SOL     H5    5  -0.060179  -0.134912  -0.213972
+    1SOL     H6    6  -0.062981  -0.004899  -0.291481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092419   0.162754   0.179355
+    0SOL     H2    2  -0.133712   0.086159   0.219236
+    0SOL     H3    3  -0.133008   0.169633   0.092940
+    1SOL     O4    4   0.099396  -0.155126  -0.172673
+    1SOL     H5    5   0.084030  -0.249588  -0.174473
+    1SOL     H6    6   0.064564  -0.123553  -0.256053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080809  -0.127298   0.222837
+    0SOL     H2    2  -0.010275  -0.155588   0.230935
+    0SOL     H3    3   0.101414  -0.088141   0.307716
+    1SOL     O4    4  -0.079722   0.120549  -0.227752
+    1SOL     H5    5  -0.098392   0.205780  -0.188389
+    1SOL     H6    6  -0.003551   0.136077  -0.283602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092096   0.152237  -0.272040
+    0SOL     H2    2   0.061388   0.105289  -0.194482
+    0SOL     H3    3   0.168847   0.200825  -0.241859
+    1SOL     O4    4  -0.091231  -0.154802   0.260936
+    1SOL     H5    5  -0.135448  -0.070516   0.271091
+    1SOL     H6    6  -0.105539  -0.199607   0.344303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.173048   0.207313  -0.184822
+    0SOL     H2    2   0.205447   0.195080  -0.095586
+    0SOL     H3    3   0.080488   0.229155  -0.173965
+    1SOL     O4    4  -0.173799  -0.203644   0.181931
+    1SOL     H5    5  -0.185970  -0.296319   0.161305
+    1SOL     H6    6  -0.087897  -0.182061   0.145636
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079268  -0.248028  -0.196020
+    0SOL     H2    2   0.162473  -0.290381  -0.174918
+    0SOL     H3    3   0.054985  -0.201586  -0.115921
+    1SOL     O4    4  -0.083927   0.243655   0.196099
+    1SOL     H5    5  -0.021858   0.228305   0.124866
+    1SOL     H6    6  -0.126601   0.326265   0.173363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095693   0.001143   0.329266
+    0SOL     H2    2   0.086841   0.038708   0.241671
+    0SOL     H3    3   0.190028  -0.000056   0.345443
+    1SOL     O4    4  -0.102526  -0.008839  -0.328057
+    1SOL     H5    5  -0.117176   0.082976  -0.350809
+    1SOL     H6    6  -0.042165  -0.005833  -0.253829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.154656   0.071815   0.306796
+    0SOL     H2    2  -0.190330  -0.013937   0.283641
+    0SOL     H3    3  -0.129354   0.110688   0.223064
+    1SOL     O4    4   0.149997  -0.065425  -0.303517
+    1SOL     H5    5   0.216569  -0.043326  -0.238385
+    1SOL     H6    6   0.173269  -0.153580  -0.332662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.339519  -0.096285   0.018886
+    0SOL     H2    2   0.307346  -0.010756   0.047380
+    0SOL     H3    3   0.343522  -0.148361   0.099100
+    1SOL     O4    4  -0.340068   0.087634  -0.021950
+    1SOL     H5    5  -0.393444   0.160273  -0.054153
+    1SOL     H6    6  -0.250326   0.120834  -0.024475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072864   0.297776   0.196293
+    0SOL     H2    2   0.125468   0.250735   0.260963
+    0SOL     H3    3   0.000468   0.238382   0.176456
+    1SOL     O4    4  -0.068561  -0.286675  -0.198700
+    1SOL     H5    5  -0.129194  -0.317945  -0.131557
+    1SOL     H6    6  -0.075136  -0.351340  -0.268967
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.130475   0.251989  -0.231691
+    0SOL     H2    2   0.133247   0.296048  -0.146760
+    0SOL     H3    3   0.142467   0.159295  -0.211044
+    1SOL     O4    4  -0.135050  -0.252824   0.221783
+    1SOL     H5    5  -0.154419  -0.209224   0.304766
+    1SOL     H6    6  -0.045903  -0.225269   0.200431
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116177  -0.343850  -0.143795
+    0SOL     H2    2  -0.189116  -0.385803  -0.098163
+    0SOL     H3    3  -0.139865  -0.348652  -0.236413
+    1SOL     O4    4   0.123353   0.342468   0.141689
+    1SOL     H5    5   0.063595   0.317543   0.212187
+    1SOL     H6    6   0.142353   0.434875   0.157880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.383618  -0.052962  -0.063403
+    0SOL     H2    2  -0.346880  -0.062801  -0.151243
+    0SOL     H3    3  -0.478376  -0.056350  -0.076503
+    1SOL     O4    4   0.384534   0.048910   0.073637
+    1SOL     H5    5   0.444845   0.120346   0.094177
+    1SOL     H6    6   0.365957   0.059271  -0.019690
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.145783  -0.033978  -0.366893
+    0SOL     H2    2   0.074785  -0.085431  -0.328499
+    0SOL     H3    3   0.152665  -0.065956  -0.456851
+    1SOL     O4    4  -0.139367   0.045383   0.370680
+    1SOL     H5    5  -0.164423  -0.017767   0.438108
+    1SOL     H6    6  -0.156413   0.000250   0.288008
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.357306  -0.192695  -0.156463
+    0SOL     H2    2  -0.343905  -0.175739  -0.063215
+    0SOL     H3    3  -0.452226  -0.188772  -0.168170
+    1SOL     O4    4   0.362458   0.198932   0.153081
+    1SOL     H5    5   0.286362   0.146400   0.177823
+    1SOL     H6    6   0.426619   0.135070   0.121979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.107591  -0.495564  -0.192710
+    0SOL     H2    2   0.156777  -0.413554  -0.188543
+    0SOL     H3    3   0.106313  -0.527394  -0.102446
+    1SOL     O4    4  -0.105521   0.496753   0.187117
+    1SOL     H5    5  -0.194460   0.511415   0.219325
+    1SOL     H6    6  -0.106516   0.406981   0.153915
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009943   0.100222  -0.066842
+    0SOL     H2    2   0.019134   0.035899  -0.137130
+    0SOL     H3    3  -0.057834   0.160234  -0.097942
+    1SOL     O4    4  -0.008966  -0.103269   0.078616
+    1SOL     H5    5  -0.028250  -0.012234   0.056185
+    1SOL     H6    6   0.036961  -0.137653   0.001995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016650   0.033961  -0.127955
+    0SOL     H2    2   0.046071  -0.021914  -0.173849
+    0SOL     H3    3  -0.023925  -0.004750  -0.040715
+    1SOL     O4    4   0.013886  -0.029386   0.119500
+    1SOL     H5    5  -0.064136  -0.018235   0.173819
+    1SOL     H6    6   0.086463  -0.031420   0.181876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130431  -0.028863  -0.018913
+    0SOL     H2    2  -0.148737   0.007101  -0.105710
+    0SOL     H3    3  -0.036450  -0.015423  -0.006699
+    1SOL     O4    4   0.120170   0.026302   0.022013
+    1SOL     H5    5   0.172509   0.106272   0.016755
+    1SOL     H6    6   0.184558  -0.043994   0.030673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062114  -0.112786   0.024359
+    0SOL     H2    2   0.036580  -0.163139  -0.052939
+    0SOL     H3    3   0.153893  -0.090290   0.009104
+    1SOL     O4    4  -0.071829   0.116179  -0.019068
+    1SOL     H5    5  -0.027362   0.044701   0.026495
+    1SOL     H6    6  -0.004836   0.153466  -0.076373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057099   0.013062   0.121285
+    0SOL     H2    2  -0.148332   0.012622   0.092325
+    0SOL     H3    3  -0.052909  -0.055019   0.188440
+    1SOL     O4    4   0.068348  -0.008993  -0.124720
+    1SOL     H5    5  -0.005765   0.013518  -0.180960
+    1SOL     H6    6   0.028292  -0.040001  -0.043501
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118867  -0.064262   0.022281
+    0SOL     H2    2  -0.185759  -0.017287   0.072092
+    0SOL     H3    3  -0.076731  -0.121318   0.086557
+    1SOL     O4    4   0.126029   0.063113  -0.031893
+    1SOL     H5    5   0.047628   0.010791  -0.015219
+    1SOL     H6    6   0.108107   0.147249   0.010086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020835  -0.136562  -0.007550
+    0SOL     H2    2   0.031598  -0.067213  -0.072645
+    0SOL     H3    3   0.049470  -0.216166  -0.052333
+    1SOL     O4    4  -0.017904   0.132513   0.012578
+    1SOL     H5    5  -0.021135   0.198612   0.081735
+    1SOL     H6    6  -0.102254   0.140277  -0.032000
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112140  -0.092792   0.021112
+    0SOL     H2    2   0.084856  -0.168238  -0.031098
+    0SOL     H3    3   0.041191  -0.029406   0.010590
+    1SOL     O4    4  -0.100093   0.091902  -0.017575
+    1SOL     H5    5  -0.158649   0.101487   0.057536
+    1SOL     H6    6  -0.153890   0.115587  -0.093121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002351   0.143194  -0.006284
+    0SOL     H2    2  -0.017347   0.111890   0.082921
+    0SOL     H3    3   0.081500   0.189144  -0.001814
+    1SOL     O4    4  -0.005291  -0.147612   0.005979
+    1SOL     H5    5  -0.032446  -0.071579  -0.045440
+    1SOL     H6    6   0.083146  -0.167176  -0.024981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082796  -0.116216   0.023862
+    0SOL     H2    2   0.003286  -0.118378  -0.017943
+    0SOL     H3    3  -0.142921  -0.148345  -0.043333
+    1SOL     O4    4   0.085817   0.119069  -0.023101
+    1SOL     H5    5   0.099797   0.142992   0.068521
+    1SOL     H6    6  -0.001060   0.078906  -0.024430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.148436   0.003317   0.012244
+    0SOL     H2    2  -0.193580   0.073205  -0.035085
+    0SOL     H3    3  -0.057461   0.009494  -0.016872
+    1SOL     O4    4   0.143397  -0.006147  -0.012853
+    1SOL     H5    5   0.117336   0.016582   0.076403
+    1SOL     H6    6   0.222153  -0.059460  -0.002019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042425  -0.032918  -0.142309
+    0SOL     H2    2  -0.032666  -0.014144  -0.048957
+    0SOL     H3    3   0.045020  -0.019328  -0.178791
+    1SOL     O4    4   0.029947   0.030855   0.137925
+    1SOL     H5    5   0.092477   0.087858   0.093170
+    1SOL     H6    6   0.083602  -0.021731   0.197240
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000394  -0.015363   0.150776
+    0SOL     H2    2   0.049122  -0.014779   0.068389
+    0SOL     H3    3  -0.053018  -0.094680   0.146505
+    1SOL     O4    4   0.003095   0.024404  -0.141195
+    1SOL     H5    5  -0.086971  -0.007899  -0.143830
+    1SOL     H6    6   0.045506  -0.016583  -0.216585
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071917  -0.114847   0.055147
+    0SOL     H2    2   0.121697  -0.039724   0.087407
+    0SOL     H3    3   0.103296  -0.188656   0.107395
+    1SOL     O4    4  -0.078228   0.118974  -0.055499
+    1SOL     H5    5  -0.094308   0.024614  -0.055518
+    1SOL     H6    6  -0.035100   0.135986  -0.139241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009546   0.007232  -0.154091
+    0SOL     H2    2  -0.020820   0.096800  -0.168851
+    0SOL     H3    3   0.020831   0.001042  -0.059240
+    1SOL     O4    4  -0.008136  -0.014963   0.144873
+    1SOL     H5    5  -0.086269  -0.011483   0.200058
+    1SOL     H6    6   0.053407   0.045331   0.186579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124465   0.061187  -0.074608
+    0SOL     H2    2  -0.056718   0.128256  -0.065983
+    0SOL     H3    3  -0.075990  -0.020715  -0.084831
+    1SOL     O4    4   0.122577  -0.062698   0.072824
+    1SOL     H5    5   0.105530   0.031412   0.076715
+    1SOL     H6    6   0.041563  -0.103068   0.103959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052324   0.140203  -0.017585
+    0SOL     H2    2  -0.090956   0.062960   0.023687
+    0SOL     H3    3  -0.127391   0.193677  -0.043429
+    1SOL     O4    4   0.057420  -0.133357   0.018415
+    1SOL     H5    5   0.109786  -0.198407   0.065199
+    1SOL     H6    6   0.033005  -0.176564  -0.063435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085439  -0.121361  -0.038444
+    0SOL     H2    2   0.163717  -0.085605   0.003466
+    0SOL     H3    3   0.038392  -0.165497   0.032273
+    1SOL     O4    4  -0.088386   0.127604   0.035592
+    1SOL     H5    5  -0.056352   0.042507   0.065504
+    1SOL     H6    6  -0.097077   0.117990  -0.059246
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.129889   0.091223  -0.008184
+    0SOL     H2    2   0.078848   0.010928   0.002299
+    0SOL     H3    3   0.118091   0.115335  -0.100063
+    1SOL     O4    4  -0.122977  -0.081820   0.014525
+    1SOL     H5    5  -0.152700  -0.109226  -0.072237
+    1SOL     H6    6  -0.147370  -0.154197   0.072221
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.147082  -0.041030  -0.001402
+    0SOL     H2    2   0.147324   0.054015   0.009940
+    0SOL     H3    3   0.221238  -0.058472  -0.059359
+    1SOL     O4    4  -0.155919   0.039444   0.000423
+    1SOL     H5    5  -0.102428   0.080799   0.068179
+    1SOL     H6    6  -0.126511  -0.051634  -0.001107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130732  -0.065986   0.032316
+    0SOL     H2    2  -0.194582  -0.118002   0.081100
+    0SOL     H3    3  -0.175897  -0.042371  -0.048707
+    1SOL     O4    4   0.141188   0.065867  -0.035437
+    1SOL     H5    5   0.055259   0.031690  -0.010731
+    1SOL     H6    6   0.160884   0.131719   0.031181
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070834   0.134226   0.026713
+    0SOL     H2    2  -0.011049   0.122111   0.074784
+    0SOL     H3    3   0.128321   0.179664   0.088300
+    1SOL     O4    4  -0.065450  -0.133131  -0.038415
+    1SOL     H5    5  -0.158854  -0.153839  -0.035377
+    1SOL     H6    6  -0.032470  -0.158300   0.047847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079147   0.035658   0.125878
+    0SOL     H2    2  -0.155999   0.007103   0.175282
+    0SOL     H3    3  -0.108165   0.114326   0.079709
+    1SOL     O4    4   0.087291  -0.042312  -0.131461
+    1SOL     H5    5   0.102976   0.051119  -0.117788
+    1SOL     H6    6   0.033662  -0.068830  -0.056742
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136672  -0.023453   0.062383
+    0SOL     H2    2  -0.191070  -0.083237   0.011109
+    0SOL     H3    3  -0.199276   0.031974   0.108976
+    1SOL     O4    4   0.145363   0.023131  -0.068689
+    1SOL     H5    5   0.057629   0.049778  -0.041212
+    1SOL     H6    6   0.191269   0.003787   0.013047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009134   0.158192   0.023947
+    0SOL     H2    2   0.034958   0.120879  -0.052381
+    0SOL     H3    3   0.058485   0.161210   0.091629
+    1SOL     O4    4   0.003951  -0.158206  -0.028696
+    1SOL     H5    5   0.065406  -0.133915   0.040553
+    1SOL     H6    6  -0.082472  -0.142163   0.009199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073926  -0.006847  -0.143392
+    0SOL     H2    2   0.021419  -0.044033  -0.214261
+    0SOL     H3    3   0.016268  -0.009205  -0.067022
+    1SOL     O4    4  -0.066988   0.006239   0.137981
+    1SOL     H5    5  -0.093608   0.097850   0.145792
+    1SOL     H6    6  -0.049736  -0.021496   0.227956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119023  -0.112594   0.002806
+    0SOL     H2    2  -0.091743  -0.116576   0.094470
+    0SOL     H3    3  -0.077707  -0.033186  -0.031102
+    1SOL     O4    4   0.112315   0.108240  -0.000139
+    1SOL     H5    5   0.099978   0.052557  -0.077013
+    1SOL     H6    6   0.179674   0.170939  -0.026482
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126743   0.055098  -0.067866
+    0SOL     H2    2  -0.170853   0.099285   0.004688
+    0SOL     H3    3  -0.195931   0.039647  -0.132182
+    1SOL     O4    4   0.133262  -0.062535   0.071167
+    1SOL     H5    5   0.205713  -0.025187   0.020985
+    1SOL     H6    6   0.059246  -0.004549   0.053239
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028913   0.151292   0.067587
+    0SOL     H2    2   0.012659   0.065102   0.069886
+    0SOL     H3    3  -0.119459   0.133590   0.042083
+    1SOL     O4    4   0.031392  -0.139495  -0.062896
+    1SOL     H5    5  -0.031067  -0.170429  -0.128503
+    1SOL     H6    6   0.099037  -0.207172  -0.060372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104858   0.124259  -0.027117
+    0SOL     H2    2  -0.090721   0.038529   0.013041
+    0SOL     H3    3  -0.185375   0.156680   0.013235
+    1SOL     O4    4   0.101857  -0.119532   0.024822
+    1SOL     H5    5   0.175387  -0.064828  -0.002801
+    1SOL     H6    6   0.136253  -0.208833   0.022690
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111379  -0.096001   0.061157
+    0SOL     H2    2  -0.114929  -0.176309   0.113122
+    0SOL     H3    3  -0.176672  -0.038596   0.101205
+    1SOL     O4    4   0.117770   0.101056  -0.061894
+    1SOL     H5    5   0.026844   0.071385  -0.065677
+    1SOL     H6    6   0.160825   0.055781  -0.134412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.143375   0.058075   0.059335
+    0SOL     H2    2   0.093048  -0.018875   0.085945
+    0SOL     H3    3   0.134030   0.119282   0.132333
+    1SOL     O4    4  -0.146723  -0.057893  -0.063521
+    1SOL     H5    5  -0.076199  -0.045722   0.000044
+    1SOL     H6    6  -0.101861  -0.068412  -0.147420
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107204   0.098324   0.065911
+    0SOL     H2    2  -0.160445   0.082072   0.143780
+    0SOL     H3    3  -0.082844   0.190669   0.072340
+    1SOL     O4    4   0.114882  -0.104000  -0.067258
+    1SOL     H5    5   0.112374  -0.085678  -0.161175
+    1SOL     H6    6   0.023772  -0.096465  -0.038895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.164572  -0.045516   0.006613
+    0SOL     H2    2  -0.072397  -0.021369  -0.002504
+    0SOL     H3    3  -0.188702  -0.015458   0.094229
+    1SOL     O4    4   0.155799   0.039484  -0.012785
+    1SOL     H5    5   0.184128   0.053056   0.077634
+    1SOL     H6    6   0.222336   0.083534  -0.065649
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109756  -0.098662   0.078897
+    0SOL     H2    2   0.072660  -0.020652   0.120134
+    0SOL     H3    3   0.082436  -0.170955   0.135374
+    1SOL     O4    4  -0.101130   0.101698  -0.081055
+    1SOL     H5    5  -0.195492   0.113794  -0.091637
+    1SOL     H6    6  -0.079779   0.028135  -0.138455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079079  -0.117443   0.104413
+    0SOL     H2    2   0.154481  -0.058478   0.104789
+    0SOL     H3    3   0.026172  -0.088273   0.030168
+    1SOL     O4    4  -0.076055   0.108484  -0.097091
+    1SOL     H5    5  -0.054289   0.182990  -0.153104
+    1SOL     H6    6  -0.171709   0.105031  -0.097843
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.159142   0.035418   0.037471
+    0SOL     H2    2   0.188599   0.098746   0.102925
+    0SOL     H3    3   0.225507  -0.033538   0.039225
+    1SOL     O4    4  -0.169367  -0.035488  -0.038662
+    1SOL     H5    5  -0.106609  -0.102083  -0.066750
+    1SOL     H6    6  -0.127007   0.047756  -0.059600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135674  -0.093713   0.042444
+    0SOL     H2    2   0.156029  -0.049895  -0.040188
+    0SOL     H3    3   0.217438  -0.136645   0.067619
+    1SOL     O4    4  -0.141403   0.097641  -0.045013
+    1SOL     H5    5  -0.069507   0.082815   0.016415
+    1SOL     H6    6  -0.213086   0.043775  -0.011512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046416   0.089525  -0.144479
+    0SOL     H2    2   0.123520   0.046157  -0.107920
+    0SOL     H3    3   0.045206   0.175609  -0.102642
+    1SOL     O4    4  -0.051714  -0.098313   0.138257
+    1SOL     H5    5  -0.113095  -0.026667   0.122086
+    1SOL     H6    6   0.023294  -0.056559   0.180596
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056721  -0.157916  -0.033487
+    0SOL     H2    2   0.119693  -0.159602  -0.105557
+    0SOL     H3    3   0.103505  -0.197237   0.040184
+    1SOL     O4    4  -0.062012   0.166566   0.035017
+    1SOL     H5    5  -0.144684   0.118356   0.036889
+    1SOL     H6    6   0.003445   0.101029   0.010875
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091596  -0.119100  -0.099427
+    0SOL     H2    2  -0.030812  -0.062470  -0.051882
+    0SOL     H3    3  -0.066905  -0.207888  -0.073556
+    1SOL     O4    4   0.081924   0.118965   0.091124
+    1SOL     H5    5   0.091038   0.100712   0.184644
+    1SOL     H6    6   0.155748   0.176318   0.070560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120775  -0.092128   0.077402
+    0SOL     H2    2   0.132269  -0.185952   0.062327
+    0SOL     H3    3   0.187422  -0.069927   0.142423
+    1SOL     O4    4  -0.124073   0.093881  -0.085021
+    1SOL     H5    5  -0.212507   0.098311  -0.048661
+    1SOL     H6    6  -0.069365   0.138837  -0.020613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012102   0.144646  -0.116338
+    0SOL     H2    2  -0.002453   0.070568  -0.057491
+    0SOL     H3    3   0.054162   0.210915  -0.061550
+    1SOL     O4    4  -0.014384  -0.138265   0.111173
+    1SOL     H5    5  -0.076681  -0.204595   0.081477
+    1SOL     H6    6   0.063480  -0.187981   0.136229
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127126   0.079867   0.111905
+    0SOL     H2    2  -0.139839   0.064116   0.018349
+    0SOL     H3    3  -0.114539  -0.007290   0.149422
+    1SOL     O4    4   0.125621  -0.071859  -0.103292
+    1SOL     H5    5   0.128208  -0.030883  -0.189759
+    1SOL     H6    6   0.154605  -0.161811  -0.118486
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034667  -0.021865  -0.182148
+    0SOL     H2    2   0.110603  -0.012867  -0.124571
+    0SOL     H3    3   0.005992   0.068024  -0.198274
+    1SOL     O4    4  -0.033162   0.012663   0.175671
+    1SOL     H5    5  -0.013937   0.086846   0.233026
+    1SOL     H6    6  -0.127892   0.000843   0.182660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018237   0.113876   0.140208
+    0SOL     H2    2  -0.042718   0.201235   0.170728
+    0SOL     H3    3  -0.100831   0.074009   0.112801
+    1SOL     O4    4   0.025175  -0.117680  -0.147057
+    1SOL     H5    5   0.006316  -0.180580  -0.077414
+    1SOL     H6    6   0.042348  -0.035467  -0.101139
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058273   0.021123  -0.177248
+    0SOL     H2    2  -0.126798  -0.044893  -0.166830
+    0SOL     H3    3   0.022075  -0.023176  -0.149970
+    1SOL     O4    4   0.058823  -0.013578   0.169164
+    1SOL     H5    5  -0.027323  -0.033690   0.205725
+    1SOL     H6    6   0.119755  -0.029195   0.241315
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.147445  -0.100263  -0.024011
+    0SOL     H2    2   0.233655  -0.059242  -0.030904
+    0SOL     H3    3   0.158573  -0.186408  -0.064229
+    1SOL     O4    4  -0.153465   0.102931   0.032970
+    1SOL     H5    5  -0.222060   0.117935  -0.032082
+    1SOL     H6    6  -0.074244   0.088114  -0.018671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134219   0.115284  -0.059096
+    0SOL     H2    2  -0.211146   0.121075  -0.115762
+    0SOL     H3    3  -0.166541   0.074283   0.021131
+    1SOL     O4    4   0.141577  -0.106862   0.059135
+    1SOL     H5    5   0.097313  -0.172215   0.113284
+    1SOL     H6    6   0.163302  -0.153368  -0.021658
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.184527   0.025375  -0.026113
+    0SOL     H2    2  -0.178938   0.105363   0.026166
+    0SOL     H3    3  -0.234979  -0.035259   0.028112
+    1SOL     O4    4   0.181840  -0.023396   0.021954
+    1SOL     H5    5   0.189352  -0.117305   0.005013
+    1SOL     H6    6   0.271147   0.009842   0.012909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.188405  -0.021850   0.040234
+    0SOL     H2    2   0.156907   0.015066  -0.042273
+    0SOL     H3    3   0.257931  -0.082378   0.014451
+    1SOL     O4    4  -0.188333   0.030093  -0.031800
+    1SOL     H5    5  -0.136395  -0.031245  -0.083785
+    1SOL     H6    6  -0.271330  -0.015247  -0.017034
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059808   0.102889   0.163311
+    0SOL     H2    2   0.141318   0.056858   0.143325
+    0SOL     H3    3  -0.008744   0.047832   0.125473
+    1SOL     O4    4  -0.059088  -0.094585  -0.153970
+    1SOL     H5    5  -0.136881  -0.146231  -0.175023
+    1SOL     H6    6  -0.008083  -0.093916  -0.234966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.188305   0.043553  -0.006198
+    0SOL     H2    2  -0.212169   0.043789  -0.098895
+    0SOL     H3    3  -0.218606   0.128220   0.026600
+    1SOL     O4    4   0.189556  -0.054604   0.009630
+    1SOL     H5    5   0.128516   0.017905   0.023004
+    1SOL     H6    6   0.273651  -0.012295  -0.007701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148865   0.112235   0.081591
+    0SOL     H2    2   0.076993   0.106278   0.144529
+    0SOL     H3    3   0.105686   0.119794  -0.003501
+    1SOL     O4    4  -0.142662  -0.106374  -0.081430
+    1SOL     H5    5  -0.130258  -0.144694   0.005404
+    1SOL     H6    6  -0.133245  -0.180088  -0.141761
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006155  -0.130436   0.153028
+    0SOL     H2    2  -0.086609  -0.119529   0.203729
+    0SOL     H3    3   0.020800  -0.041198   0.131295
+    1SOL     O4    4   0.012719   0.120335  -0.153859
+    1SOL     H5    5  -0.027610   0.181059  -0.091822
+    1SOL     H6    6  -0.016834   0.150600  -0.239725
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072819   0.151260  -0.110062
+    0SOL     H2    2  -0.034407   0.233776  -0.080432
+    0SOL     H3    3  -0.098936   0.106651  -0.029500
+    1SOL     O4    4   0.069010  -0.158142   0.107556
+    1SOL     H5    5   0.151756  -0.115859   0.130523
+    1SOL     H6    6   0.042878  -0.116672   0.025338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149446  -0.074049   0.120411
+    0SOL     H2    2   0.139721  -0.020305   0.199019
+    0SOL     H3    3   0.197872  -0.018578   0.059253
+    1SOL     O4    4  -0.148987   0.062626  -0.124037
+    1SOL     H5    5  -0.226693   0.108820  -0.155504
+    1SOL     H6    6  -0.122904   0.110406  -0.045303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079326   0.083350  -0.173452
+    0SOL     H2    2   0.166686   0.122191  -0.178148
+    0SOL     H3    3   0.062088   0.074312  -0.079732
+    1SOL     O4    4  -0.079420  -0.079126   0.166557
+    1SOL     H5    5  -0.076438  -0.116233   0.254742
+    1SOL     H6    6  -0.138672  -0.136741   0.118267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127201  -0.127591   0.094981
+    0SOL     H2    2   0.133649  -0.081839   0.178811
+    0SOL     H3    3   0.100317  -0.216486   0.118162
+    1SOL     O4    4  -0.132187   0.128621  -0.101481
+    1SOL     H5    5  -0.088283   0.208133  -0.071273
+    1SOL     H6    6  -0.063182   0.062309  -0.103275
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.177729   0.095437  -0.053975
+    0SOL     H2    2   0.192609   0.167365  -0.115353
+    0SOL     H3    3   0.101299   0.049557  -0.088843
+    1SOL     O4    4  -0.170705  -0.096687   0.065332
+    1SOL     H5    5  -0.227533  -0.030613   0.025746
+    1SOL     H6    6  -0.174426  -0.170845   0.004925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128929   0.128889  -0.103380
+    0SOL     H2    2   0.081501   0.207802  -0.129566
+    0SOL     H3    3   0.149811   0.142973  -0.011034
+    1SOL     O4    4  -0.122818  -0.137311   0.105037
+    1SOL     H5    5  -0.205410  -0.089760   0.113968
+    1SOL     H6    6  -0.107926  -0.142018   0.010600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.192496   0.025506  -0.075754
+    0SOL     H2    2   0.278464   0.066964  -0.083040
+    0SOL     H3    3   0.210667  -0.061221  -0.039553
+    1SOL     O4    4  -0.200168  -0.027710   0.077004
+    1SOL     H5    5  -0.110385   0.005183   0.081419
+    1SOL     H6    6  -0.245355   0.033578   0.019002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.175838   0.087802   0.103255
+    0SOL     H2    2  -0.164852   0.026424   0.030630
+    0SOL     H3    3  -0.114597   0.158835   0.084117
+    1SOL     O4    4   0.167641  -0.089963  -0.091966
+    1SOL     H5    5   0.179023  -0.008541  -0.140988
+    1SOL     H6    6   0.220651  -0.154085  -0.139301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059043  -0.052484  -0.210540
+    0SOL     H2    2   0.034671  -0.033039  -0.209144
+    0SOL     H3    3  -0.097225   0.008891  -0.147790
+    1SOL     O4    4   0.050341   0.045841   0.203101
+    1SOL     H5    5   0.098698  -0.002934   0.269771
+    1SOL     H6    6   0.095359   0.130139   0.197664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080274  -0.194171   0.044875
+    0SOL     H2    2   0.050372  -0.274284   0.001863
+    0SOL     H3    3   0.175117  -0.204825   0.052191
+    1SOL     O4    4  -0.081598   0.204542  -0.041362
+    1SOL     H5    5  -0.172252   0.175409  -0.051134
+    1SOL     H6    6  -0.029168   0.127153  -0.061963
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.184264   0.066071  -0.119945
+    0SOL     H2    2  -0.211984   0.157684  -0.120919
+    0SOL     H3    3  -0.173378   0.045277  -0.027147
+    1SOL     O4    4   0.187754  -0.073849   0.118726
+    1SOL     H5    5   0.210511   0.016900   0.098499
+    1SOL     H6    6   0.110742  -0.091867   0.064812
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113537  -0.115379   0.172024
+    0SOL     H2    2   0.022520  -0.141122   0.186707
+    0SOL     H3    3   0.108367  -0.024174   0.143438
+    1SOL     O4    4  -0.107104   0.117613  -0.171355
+    1SOL     H5    5  -0.160378   0.077632  -0.102611
+    1SOL     H6    6  -0.090067   0.046389  -0.232992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.115330  -0.096664  -0.175004
+    0SOL     H2    2   0.048278  -0.149456  -0.218356
+    0SOL     H3    3   0.146459  -0.036878  -0.242966
+    1SOL     O4    4  -0.111035   0.097602   0.186985
+    1SOL     H5    5  -0.074065   0.122802   0.102366
+    1SOL     H6    6  -0.190165   0.048467   0.164928
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.166746  -0.014630  -0.176537
+    0SOL     H2    2   0.090580   0.042435  -0.166311
+    0SOL     H3    3   0.168402  -0.067027  -0.096449
+    1SOL     O4    4  -0.162460   0.017196   0.165271
+    1SOL     H5    5  -0.096934   0.021468   0.234916
+    1SOL     H6    6  -0.234232  -0.033719   0.202937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093256   0.112841   0.199546
+    0SOL     H2    2   0.101991   0.141609   0.108670
+    0SOL     H3    3   0.008762   0.147848   0.227785
+    1SOL     O4    4  -0.087303  -0.114612  -0.202053
+    1SOL     H5    5  -0.159446  -0.078002  -0.150893
+    1SOL     H6    6  -0.048990  -0.181372  -0.145153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126237   0.079621  -0.193874
+    0SOL     H2    2  -0.200281   0.045446  -0.243994
+    0SOL     H3    3  -0.158615   0.085130  -0.103965
+    1SOL     O4    4   0.135705  -0.080188   0.187603
+    1SOL     H5    5   0.160977  -0.049503   0.274678
+    1SOL     H6    6   0.040740  -0.068550   0.184683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030153   0.214974  -0.114096
+    0SOL     H2    2   0.020639   0.207304  -0.033326
+    0SOL     H3    3  -0.010779   0.302984  -0.146363
+    1SOL     O4    4   0.025172  -0.217593   0.105557
+    1SOL     H5    5  -0.034980  -0.220162   0.179971
+    1SOL     H6    6   0.108651  -0.248079   0.141114
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.186622   0.065462  -0.158087
+    0SOL     H2    2  -0.152575  -0.003080  -0.215578
+    0SOL     H3    3  -0.267648   0.094090  -0.200248
+    1SOL     O4    4   0.189272  -0.067220   0.168901
+    1SOL     H5    5   0.111157  -0.030837   0.127227
+    1SOL     H6    6   0.262164  -0.033526   0.116806
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141947  -0.174187  -0.129170
+    0SOL     H2    2  -0.090310  -0.144932  -0.204271
+    0SOL     H3    3  -0.181972  -0.256201  -0.158050
+    1SOL     O4    4   0.140328   0.181652   0.139582
+    1SOL     H5    5   0.192524   0.187119   0.059531
+    1SOL     H6    6   0.101488   0.094204   0.136981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.219714  -0.118056  -0.103023
+    0SOL     H2    2  -0.197011  -0.094146  -0.013161
+    0SOL     H3    3  -0.306993  -0.156767  -0.096236
+    1SOL     O4    4   0.226423   0.121387   0.092166
+    1SOL     H5    5   0.215185   0.158694   0.179598
+    1SOL     H6    6   0.181799   0.036804   0.096248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.260068  -0.046331   0.078993
+    0SOL     H2    2   0.336045  -0.060427   0.135482
+    0SOL     H3    3   0.247981  -0.129815   0.033752
+    1SOL     O4    4  -0.266291   0.055024  -0.085339
+    1SOL     H5    5  -0.232658   0.100009  -0.007830
+    1SOL     H6    6  -0.263668  -0.037826  -0.062225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.279042  -0.033933   0.018274
+    0SOL     H2    2  -0.304349   0.038203   0.075878
+    0SOL     H3    3  -0.349522  -0.098014   0.027678
+    1SOL     O4    4   0.287861   0.035839  -0.025689
+    1SOL     H5    5   0.208844  -0.014452  -0.045424
+    1SOL     H6    6   0.288286   0.043405   0.069730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017525  -0.120868   0.264374
+    0SOL     H2    2  -0.016906  -0.025406   0.257385
+    0SOL     H3    3   0.049457  -0.140572   0.329853
+    1SOL     O4    4   0.014531   0.121825  -0.265937
+    1SOL     H5    5   0.065178   0.042772  -0.247285
+    1SOL     H6    6  -0.056342   0.092024  -0.322956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003179  -0.140036   0.263159
+    0SOL     H2    2  -0.084148  -0.139116   0.302344
+    0SOL     H3    3   0.004237  -0.218777   0.208744
+    1SOL     O4    4   0.000602   0.149139  -0.257611
+    1SOL     H5    5   0.062520   0.076800  -0.247834
+    1SOL     H6    6  -0.037413   0.136605  -0.344560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009585  -0.164564   0.251663
+    0SOL     H2    2  -0.063602  -0.085906   0.244083
+    0SOL     H3    3   0.064064  -0.137889   0.306676
+    1SOL     O4    4   0.006711   0.151940  -0.253539
+    1SOL     H5    5  -0.025513   0.215024  -0.317916
+    1SOL     H6    6   0.069728   0.201287  -0.201042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037047  -0.067756  -0.294612
+    0SOL     H2    2  -0.021657  -0.005198  -0.337069
+    0SOL     H3    3   0.086592  -0.106834  -0.366589
+    1SOL     O4    4  -0.032079   0.062094   0.304788
+    1SOL     H5    5  -0.017290   0.107911   0.222058
+    1SOL     H6    6  -0.120980   0.086740   0.330312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.194050   0.189967   0.172344
+    0SOL     H2    2  -0.202217   0.221049   0.262507
+    0SOL     H3    3  -0.246871   0.110188   0.169583
+    1SOL     O4    4   0.203801  -0.186520  -0.176110
+    1SOL     H5    5   0.143437  -0.238797  -0.123331
+    1SOL     H6    6   0.148619  -0.147007  -0.243608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113441   0.258334   0.163775
+    0SOL     H2    2   0.206999   0.266372   0.182339
+    0SOL     H3    3   0.082237   0.348652   0.158181
+    1SOL     O4    4  -0.120391  -0.263534  -0.169889
+    1SOL     H5    5  -0.051222  -0.325902  -0.147794
+    1SOL     H6    6  -0.128805  -0.208460  -0.092053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140271  -0.269038  -0.146183
+    0SOL     H2    2  -0.190679  -0.348885  -0.130507
+    0SOL     H3    3  -0.146015  -0.255203  -0.240724
+    1SOL     O4    4   0.148715   0.271990   0.153771
+    1SOL     H5    5   0.140277   0.299713   0.062543
+    1SOL     H6    6   0.059124   0.252628   0.181354
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.329053  -0.008535  -0.139253
+    0SOL     H2    2  -0.312796  -0.102578  -0.131912
+    0SOL     H3    3  -0.267145   0.021396  -0.205840
+    1SOL     O4    4   0.323913   0.013994   0.148924
+    1SOL     H5    5   0.381727   0.044912   0.079182
+    1SOL     H6    6   0.278127  -0.060879   0.110714
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.253212  -0.167324   0.183388
+    0SOL     H2    2   0.164181  -0.195475   0.204443
+    0SOL     H3    3   0.300383  -0.172744   0.266502
+    1SOL     O4    4  -0.245613   0.170104  -0.188933
+    1SOL     H5    5  -0.302107   0.202541  -0.259066
+    1SOL     H6    6  -0.303528   0.117364  -0.133918
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.219161  -0.270887  -0.102008
+    0SOL     H2    2  -0.238030  -0.195772  -0.158258
+    0SOL     H3    3  -0.225620  -0.236400  -0.012950
+    1SOL     O4    4   0.221011   0.258283   0.096840
+    1SOL     H5    5   0.160301   0.328850   0.074548
+    1SOL     H6    6   0.273574   0.293623   0.168607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.177809   0.332102  -0.229599
+    0SOL     H2    2   0.217478   0.301282  -0.311078
+    0SOL     H3    3   0.203981   0.423967  -0.223412
+    1SOL     O4    4  -0.182650  -0.333433   0.228354
+    1SOL     H5    5  -0.205174  -0.419942   0.262578
+    1SOL     H6    6  -0.139261  -0.289291   0.301368
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.355153   0.286843  -0.148307
+    0SOL     H2    2   0.320061   0.357798  -0.094490
+    0SOL     H3    3   0.444054   0.314905  -0.170020
+    1SOL     O4    4  -0.359435  -0.289902   0.152547
+    1SOL     H5    5  -0.347416  -0.381649   0.128044
+    1SOL     H6    6  -0.353596  -0.242019   0.069870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.265785  -0.061190  -0.417911
+    0SOL     H2    2  -0.213157   0.007190  -0.459345
+    0SOL     H3    3  -0.310594  -0.104368  -0.490644
+    1SOL     O4    4   0.260644   0.055773   0.426279
+    1SOL     H5    5   0.252715   0.144658   0.391654
+    1SOL     H6    6   0.354918   0.039440   0.429107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017087  -0.115134   0.043649
+    0SOL     H2    2  -0.068957  -0.097101   0.122050
+    0SOL     H3    3   0.045112  -0.182552   0.071006
+    1SOL     O4    4   0.009413   0.121168  -0.049833
+    1SOL     H5    5   0.089873   0.168952  -0.069961
+    1SOL     H6    6   0.038768   0.032516  -0.028823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072037  -0.071491   0.076273
+    0SOL     H2    2   0.159168  -0.076332   0.036939
+    0SOL     H3    3   0.042168  -0.162367   0.079695
+    1SOL     O4    4  -0.081108   0.079660  -0.073750
+    1SOL     H5    5  -0.026420   0.044043  -0.003728
+    1SOL     H6    6  -0.030840   0.064130  -0.153714
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063685  -0.119956  -0.014803
+    0SOL     H2    2   0.044717  -0.143435  -0.105639
+    0SOL     H3    3   0.000414  -0.051185   0.005924
+    1SOL     O4    4  -0.063900   0.112795   0.016484
+    1SOL     H5    5  -0.026517   0.119309   0.104361
+    1SOL     H6    6  -0.020699   0.182286  -0.033186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057139  -0.050198   0.106471
+    0SOL     H2    2   0.151688  -0.036228   0.101204
+    0SOL     H3    3   0.031830  -0.011702   0.190375
+    1SOL     O4    4  -0.065337   0.045284  -0.115277
+    1SOL     H5    5  -0.022890   0.130905  -0.109838
+    1SOL     H6    6  -0.026798  -0.005200  -0.043664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021307  -0.112257   0.065981
+    0SOL     H2    2  -0.056387  -0.148334   0.023267
+    0SOL     H3    3   0.051763  -0.182375   0.123586
+    1SOL     O4    4  -0.017856   0.121020  -0.072112
+    1SOL     H5    5   0.023216   0.039929  -0.042118
+    1SOL     H6    6  -0.080312   0.143254  -0.003067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015175   0.087496   0.106246
+    0SOL     H2    2   0.066694   0.136869   0.110954
+    0SOL     H3    3  -0.078649   0.141758   0.153032
+    1SOL     O4    4   0.014380  -0.093826  -0.115077
+    1SOL     H5    5  -0.037857  -0.024185  -0.075281
+    1SOL     H6    6   0.063209  -0.131900  -0.042081
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021066   0.140073   0.053336
+    0SOL     H2    2   0.009282   0.065516  -0.005526
+    0SOL     H3    3  -0.032980   0.119257   0.129547
+    1SOL     O4    4  -0.018110  -0.127008  -0.051874
+    1SOL     H5    5  -0.011962  -0.206747   0.000721
+    1SOL     H6    6  -0.006369  -0.156795  -0.142081
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031744   0.126744   0.070864
+    0SOL     H2    2   0.015258   0.086574   0.156170
+    0SOL     H3    3  -0.041180   0.097618   0.016128
+    1SOL     O4    4  -0.029093  -0.125705  -0.078146
+    1SOL     H5    5   0.058329  -0.129313  -0.039329
+    1SOL     H6    6  -0.081763  -0.077700  -0.014241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058620   0.004390  -0.140392
+    0SOL     H2    2  -0.060640   0.005479  -0.044699
+    0SOL     H3    3   0.029019   0.035612  -0.162903
+    1SOL     O4    4   0.057583  -0.004730   0.132240
+    1SOL     H5    5   0.013537   0.048514   0.198478
+    1SOL     H6    6   0.020448  -0.092266   0.143230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110103   0.055835   0.069274
+    0SOL     H2    2  -0.184644   0.078606   0.124838
+    0SOL     H3    3  -0.111459   0.121173  -0.000664
+    1SOL     O4    4   0.114604  -0.060270  -0.074761
+    1SOL     H5    5   0.040245  -0.048440  -0.015658
+    1SOL     H6    6   0.186468  -0.087600  -0.017745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080761   0.016846  -0.124104
+    0SOL     H2    2   0.046542   0.070880  -0.052889
+    0SOL     H3    3   0.077326   0.073623  -0.201091
+    1SOL     O4    4  -0.079676  -0.018585   0.120211
+    1SOL     H5    5  -0.139675  -0.055794   0.184849
+    1SOL     H6    6   0.001882  -0.067187   0.132399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074066  -0.130801   0.001715
+    0SOL     H2    2   0.090972  -0.039116  -0.019970
+    0SOL     H3    3   0.153313  -0.159780   0.046909
+    1SOL     O4    4  -0.080963   0.125395  -0.009205
+    1SOL     H5    5  -0.079480   0.215953   0.021767
+    1SOL     H6    6  -0.055616   0.073506   0.067133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037806  -0.090875   0.111969
+    0SOL     H2    2   0.049157  -0.179379   0.077319
+    0SOL     H3    3  -0.033448  -0.098885   0.175380
+    1SOL     O4    4  -0.036486   0.102794  -0.113714
+    1SOL     H5    5  -0.001090   0.054280  -0.188251
+    1SOL     H6    6  -0.032184   0.041070  -0.040679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045426   0.102610   0.111886
+    0SOL     H2    2  -0.019623   0.106391   0.041767
+    0SOL     H3    3   0.129130   0.092934   0.066473
+    1SOL     O4    4  -0.041533  -0.107505  -0.103936
+    1SOL     H5    5  -0.118124  -0.080112  -0.053480
+    1SOL     H6    6  -0.040277  -0.048725  -0.179471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079535   0.125403  -0.054858
+    0SOL     H2    2  -0.004337   0.164699  -0.010547
+    0SOL     H3    3  -0.120887   0.070737   0.011956
+    1SOL     O4    4   0.082024  -0.127442   0.043942
+    1SOL     H5    5   0.036495  -0.171904   0.115444
+    1SOL     H6    6   0.059867  -0.035003   0.055187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074054  -0.100430  -0.087767
+    0SOL     H2    2   0.068725  -0.155403  -0.009588
+    0SOL     H3    3   0.041330  -0.156031  -0.158478
+    1SOL     O4    4  -0.075511   0.103203   0.089161
+    1SOL     H5    5  -0.070820   0.195864   0.112703
+    1SOL     H6    6  -0.007386   0.091799   0.022895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025079   0.070456  -0.131302
+    0SOL     H2    2   0.006150   0.085821  -0.223865
+    0SOL     H3    3   0.109693   0.025703  -0.131217
+    1SOL     O4    4  -0.025147  -0.071783   0.140572
+    1SOL     H5    5  -0.120836  -0.073955   0.139438
+    1SOL     H6    6  -0.001812  -0.007343   0.073749
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006999   0.129812  -0.080317
+    0SOL     H2    2  -0.056264   0.196637  -0.127958
+    0SOL     H3    3   0.069030   0.112017  -0.135680
+    1SOL     O4    4   0.002365  -0.133975   0.081111
+    1SOL     H5    5   0.061549  -0.190152   0.131148
+    1SOL     H6    6   0.003440  -0.050399   0.127760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.158093   0.051806  -0.015428
+    0SOL     H2    2  -0.138007  -0.014622   0.050498
+    0SOL     H3    3  -0.089822   0.041271  -0.081688
+    1SOL     O4    4   0.147971  -0.048451   0.019559
+    1SOL     H5    5   0.155569  -0.071282  -0.073088
+    1SOL     H6    6   0.225582   0.004571   0.037653
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050319  -0.083018   0.129642
+    0SOL     H2    2  -0.071680  -0.041095   0.046284
+    0SOL     H3    3  -0.106710  -0.160301   0.132782
+    1SOL     O4    4   0.049711   0.084610  -0.129918
+    1SOL     H5    5   0.064152   0.148602  -0.060213
+    1SOL     H6    6   0.119972   0.020587  -0.118655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019284  -0.154825  -0.057076
+    0SOL     H2    2  -0.000952  -0.078310  -0.002564
+    0SOL     H3    3  -0.081367  -0.123209  -0.122715
+    1SOL     O4    4   0.016216   0.144598   0.056827
+    1SOL     H5    5   0.027643   0.239633   0.057224
+    1SOL     H6    6   0.103010   0.109905   0.077455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036415  -0.158641   0.036781
+    0SOL     H2    2   0.101217  -0.143984   0.105688
+    0SOL     H3    3  -0.013346  -0.076965   0.032868
+    1SOL     O4    4  -0.031457   0.151443  -0.041754
+    1SOL     H5    5  -0.103780   0.151859  -0.104457
+    1SOL     H6    6  -0.071094   0.179346   0.040785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018374  -0.146454  -0.060202
+    0SOL     H2    2  -0.087629  -0.210615  -0.044413
+    0SOL     H3    3   0.057010  -0.180095  -0.011747
+    1SOL     O4    4   0.016515   0.156999   0.052734
+    1SOL     H5    5  -0.028538   0.072664   0.057219
+    1SOL     H6    6   0.086906   0.150062   0.117226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.154912   0.020039   0.058506
+    0SOL     H2    2  -0.073165   0.051263   0.019714
+    0SOL     H3    3  -0.219731   0.029448  -0.011296
+    1SOL     O4    4   0.148223  -0.022196  -0.055231
+    1SOL     H5    5   0.194126   0.052382  -0.016589
+    1SOL     H6    6   0.208421  -0.095789  -0.044154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.150975  -0.057349   0.002908
+    0SOL     H2    2   0.226012  -0.109134  -0.026248
+    0SOL     H3    3   0.134334   0.003454  -0.069123
+    1SOL     O4    4  -0.153696   0.062922   0.001448
+    1SOL     H5    5  -0.228298   0.005081  -0.014407
+    1SOL     H6    6  -0.089638   0.007721   0.046301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041097   0.153403  -0.012365
+    0SOL     H2    2   0.063414   0.231137   0.038836
+    0SOL     H3    3   0.046493   0.182302  -0.103458
+    1SOL     O4    4  -0.048095  -0.157862   0.016830
+    1SOL     H5    5   0.010446  -0.100174  -0.032236
+    1SOL     H6    6  -0.001619  -0.241446   0.020827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139435   0.000468   0.102953
+    0SOL     H2    2   0.087328  -0.073306   0.134649
+    0SOL     H3    3   0.143116  -0.011751   0.008088
+    1SOL     O4    4  -0.139399  -0.000657  -0.102531
+    1SOL     H5    5  -0.093777  -0.002330  -0.018399
+    1SOL     H6    6  -0.141009   0.091837  -0.127123
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062343  -0.144839   0.048483
+    0SOL     H2    2  -0.074743  -0.112500   0.137717
+    0SOL     H3    3  -0.130641  -0.210949   0.037208
+    1SOL     O4    4   0.064586   0.149986  -0.047635
+    1SOL     H5    5   0.055268   0.056251  -0.064642
+    1SOL     H6    6   0.112339   0.183514  -0.123516
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112744  -0.113190   0.064577
+    0SOL     H2    2   0.093048  -0.054553  -0.008471
+    0SOL     H3    3   0.204390  -0.137630   0.051696
+    1SOL     O4    4  -0.115238   0.107572  -0.053959
+    1SOL     H5    5  -0.204063   0.115735  -0.088684
+    1SOL     H6    6  -0.061316   0.159625  -0.113500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123455   0.005619   0.125125
+    0SOL     H2    2  -0.120998   0.091886   0.166528
+    0SOL     H3    3  -0.031645  -0.020822   0.119284
+    1SOL     O4    4   0.113404  -0.006349  -0.125249
+    1SOL     H5    5   0.119020  -0.095788  -0.158887
+    1SOL     H6    6   0.203171   0.026599  -0.129578
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149626  -0.104137  -0.023848
+    0SOL     H2    2   0.091889  -0.030233  -0.004691
+    0SOL     H3    3   0.090251  -0.177645  -0.039126
+    1SOL     O4    4  -0.137817   0.105284   0.022190
+    1SOL     H5    5  -0.214933   0.098330  -0.034086
+    1SOL     H6    6  -0.170967   0.088841   0.110468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113014  -0.132951   0.034660
+    0SOL     H2    2   0.177045  -0.175185   0.091920
+    0SOL     H3    3   0.031627  -0.133651   0.085038
+    1SOL     O4    4  -0.109596   0.130477  -0.036558
+    1SOL     H5    5  -0.177195   0.195948  -0.019056
+    1SOL     H6    6  -0.081960   0.147973  -0.126516
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099633  -0.080438   0.133324
+    0SOL     H2    2   0.161131  -0.048148   0.199186
+    0SOL     H3    3   0.111664  -0.021930   0.058529
+    1SOL     O4    4  -0.097797   0.072207  -0.132836
+    1SOL     H5    5  -0.119697   0.157128  -0.094482
+    1SOL     H6    6  -0.179086   0.042738  -0.173896
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050036   0.049298   0.166297
+    0SOL     H2    2  -0.105740  -0.028222   0.159221
+    0SOL     H3    3  -0.095444   0.105859   0.228757
+    1SOL     O4    4   0.057487  -0.042014  -0.169267
+    1SOL     H5    5   0.069345  -0.105287  -0.240106
+    1SOL     H6    6   0.010554  -0.090506  -0.101383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023366  -0.183279   0.010614
+    0SOL     H2    2  -0.017863  -0.132095  -0.070084
+    0SOL     H3    3  -0.077764  -0.258601  -0.012403
+    1SOL     O4    4   0.022743   0.178749  -0.006631
+    1SOL     H5    5  -0.006603   0.240676   0.060198
+    1SOL     H6    6   0.101018   0.219159  -0.044078
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114185   0.050855   0.137748
+    0SOL     H2    2  -0.039493   0.032934   0.194864
+    0SOL     H3    3  -0.133230   0.143641   0.151547
+    1SOL     O4    4   0.116629  -0.058402  -0.143265
+    1SOL     H5    5   0.090790   0.031386  -0.164068
+    1SOL     H6    6   0.044548  -0.092454  -0.090283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068755   0.067510  -0.162965
+    0SOL     H2    2   0.117804   0.145480  -0.188987
+    0SOL     H3    3   0.027117   0.091837  -0.080280
+    1SOL     O4    4  -0.069101  -0.069086   0.163494
+    1SOL     H5    5  -0.060552  -0.062403   0.068391
+    1SOL     H6    6  -0.076628  -0.163006   0.180371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039466   0.185341  -0.032194
+    0SOL     H2    2   0.005713   0.208675  -0.113291
+    0SOL     H3    3   0.030622   0.160124   0.027923
+    1SOL     O4    4   0.037541  -0.184240   0.028174
+    1SOL     H5    5   0.063015  -0.235766   0.104715
+    1SOL     H6    6  -0.050667  -0.153105   0.048479
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104463  -0.153908   0.007239
+    0SOL     H2    2   0.088607  -0.246385  -0.011705
+    0SOL     H3    3   0.197145  -0.149786   0.030806
+    1SOL     O4    4  -0.105690   0.157947  -0.002133
+    1SOL     H5    5  -0.187615   0.116337  -0.028949
+    1SOL     H6    6  -0.077007   0.206519  -0.079467
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007926   0.180712   0.067321
+    0SOL     H2    2   0.022297   0.214067   0.151798
+    0SOL     H3    3  -0.020970   0.086996   0.081799
+    1SOL     O4    4   0.006054  -0.179421  -0.065175
+    1SOL     H5    5   0.059006  -0.108936  -0.102462
+    1SOL     H6    6  -0.032976  -0.222823  -0.141039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106895  -0.076915   0.146091
+    0SOL     H2    2  -0.030933  -0.088103   0.203247
+    0SOL     H3    3  -0.075307  -0.101422   0.059120
+    1SOL     O4    4   0.099987   0.084320  -0.141135
+    1SOL     H5    5   0.179703   0.031375  -0.139015
+    1SOL     H6    6   0.041723   0.037586  -0.200998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002473   0.034100   0.187742
+    0SOL     H2    2   0.091936   0.018681   0.191154
+    0SOL     H3    3  -0.040434  -0.038348   0.237467
+    1SOL     O4    4  -0.002076  -0.031012  -0.196611
+    1SOL     H5    5  -0.061380  -0.022468  -0.121962
+    1SOL     H6    6   0.082046   0.001205  -0.164241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.165194  -0.111946  -0.037204
+    0SOL     H2    2  -0.166519  -0.031914   0.015289
+    0SOL     H3    3  -0.073229  -0.138475  -0.038196
+    1SOL     O4    4   0.159194   0.113997   0.038435
+    1SOL     H5    5   0.198605   0.029051   0.058268
+    1SOL     H6    6   0.140164   0.110324  -0.055303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.090450   0.108623   0.141594
+    0SOL     H2    2  -0.003316   0.143134   0.161060
+    0SOL     H3    3  -0.106899   0.134703   0.050977
+    1SOL     O4    4   0.089201  -0.114809  -0.144424
+    1SOL     H5    5   0.144095  -0.086331  -0.071363
+    1SOL     H6    6   0.000209  -0.091277  -0.118175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.144425   0.033380  -0.125551
+    0SOL     H2    2  -0.122908   0.096332  -0.194373
+    0SOL     H3    3  -0.156470  -0.049555  -0.171801
+    1SOL     O4    4   0.144015  -0.034966   0.126595
+    1SOL     H5    5   0.134072   0.058633   0.143994
+    1SOL     H6    6   0.150120  -0.074984   0.213334
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.150447   0.132388  -0.043112
+    0SOL     H2    2  -0.184563   0.177170   0.034302
+    0SOL     H3    3  -0.055628   0.130843  -0.030105
+    1SOL     O4    4   0.151281  -0.130977   0.037622
+    1SOL     H5    5   0.147018  -0.205934   0.096998
+    1SOL     H6    6   0.072174  -0.138143  -0.015792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.156816   0.053342   0.119440
+    0SOL     H2    2   0.161974   0.112535   0.194486
+    0SOL     H3    3   0.097174   0.096917   0.058559
+    1SOL     O4    4  -0.152701  -0.058080  -0.126806
+    1SOL     H5    5  -0.103649  -0.023432  -0.052269
+    1SOL     H6    6  -0.221300  -0.111983  -0.087424
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125876  -0.160640  -0.047868
+    0SOL     H2    2   0.069082  -0.083622  -0.050078
+    0SOL     H3    3   0.077096  -0.227806  -0.095529
+    1SOL     O4    4  -0.120231   0.163208   0.044711
+    1SOL     H5    5  -0.172702   0.093698   0.084429
+    1SOL     H6    6  -0.056701   0.186904   0.112274
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006607  -0.070606   0.194522
+    0SOL     H2    2  -0.022001  -0.075800   0.288853
+    0SOL     H3    3  -0.088977  -0.037700   0.158540
+    1SOL     O4    4   0.017054   0.067402  -0.194844
+    1SOL     H5    5  -0.008063   0.036056  -0.281729
+    1SOL     H6    6  -0.051365   0.130037  -0.171224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067399  -0.182384  -0.063993
+    0SOL     H2    2   0.101951  -0.223776  -0.143083
+    0SOL     H3    3   0.107230  -0.231256   0.008030
+    1SOL     O4    4  -0.068056   0.191177   0.060438
+    1SOL     H5    5  -0.048984   0.100554   0.084646
+    1SOL     H6    6  -0.146976   0.213142   0.109951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070161  -0.180325  -0.089483
+    0SOL     H2    2  -0.015117  -0.181866  -0.046037
+    0SOL     H3    3   0.130642  -0.216915  -0.024941
+    1SOL     O4    4  -0.066753   0.182461   0.078056
+    1SOL     H5    5  -0.122609   0.242582   0.127330
+    1SOL     H6    6  -0.047245   0.111866   0.139684
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101030  -0.085135  -0.172977
+    0SOL     H2    2   0.058627  -0.004973  -0.142346
+    0SOL     H3    3   0.182256  -0.090084  -0.122578
+    1SOL     O4    4  -0.099143   0.084793   0.163383
+    1SOL     H5    5  -0.152578   0.122165   0.233457
+    1SOL     H6    6  -0.108993  -0.009871   0.173575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126612   0.082337  -0.160406
+    0SOL     H2    2   0.199197   0.124073  -0.114018
+    0SOL     H3    3   0.089095   0.021635  -0.096608
+    1SOL     O4    4  -0.132935  -0.083702   0.150862
+    1SOL     H5    5  -0.057628  -0.123781   0.194277
+    1SOL     H6    6  -0.121499   0.010292   0.164886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043209  -0.177962   0.118258
+    0SOL     H2    2  -0.057662  -0.136072   0.203103
+    0SOL     H3    3   0.051798  -0.188008   0.112327
+    1SOL     O4    4   0.034202   0.176643  -0.127928
+    1SOL     H5    5   0.031203   0.204074  -0.036272
+    1SOL     H6    6   0.121045   0.137808  -0.138527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146793   0.062541   0.156357
+    0SOL     H2    2  -0.076034   0.099105   0.209446
+    0SOL     H3    3  -0.117209   0.073651   0.066004
+    1SOL     O4    4   0.140358  -0.066753  -0.148384
+    1SOL     H5    5   0.171950  -0.123755  -0.218491
+    1SOL     H6    6   0.129977   0.018864  -0.189909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.186261  -0.107379  -0.055823
+    0SOL     H2    2  -0.155105  -0.195086  -0.033483
+    0SOL     H3    3  -0.154323  -0.092512  -0.144824
+    1SOL     O4    4   0.183526   0.108690   0.053439
+    1SOL     H5    5   0.169400   0.203180   0.059292
+    1SOL     H6    6   0.181911   0.078511   0.144263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078564   0.174910   0.121816
+    0SOL     H2    2  -0.038324   0.088062   0.121103
+    0SOL     H3    3  -0.022089   0.227060   0.178854
+    1SOL     O4    4   0.065580  -0.171700  -0.125169
+    1SOL     H5    5   0.108395  -0.256738  -0.135047
+    1SOL     H6    6   0.137716  -0.109087  -0.118978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076244  -0.134400  -0.180719
+    0SOL     H2    2  -0.000835  -0.101833  -0.229864
+    0SOL     H3    3  -0.147378  -0.074519  -0.203445
+    1SOL     O4    4   0.079537   0.126874   0.190519
+    1SOL     H5    5   0.107094   0.130423   0.098920
+    1SOL     H6    6  -0.006920   0.167948   0.191179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028621   0.221244  -0.092907
+    0SOL     H2    2   0.041950   0.251777  -0.149915
+    0SOL     H3    3  -0.108867   0.242505  -0.140561
+    1SOL     O4    4   0.028957  -0.229659   0.095486
+    1SOL     H5    5  -0.034721  -0.205142   0.162615
+    1SOL     H6    6   0.094427  -0.159872   0.097882
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.226474  -0.102911   0.021427
+    0SOL     H2    2  -0.183976  -0.185440   0.044775
+    0SOL     H3    3  -0.199431  -0.041770   0.089931
+    1SOL     O4    4   0.216984   0.107188  -0.024405
+    1SOL     H5    5   0.296142   0.145382  -0.062319
+    1SOL     H6    6   0.238455   0.014717  -0.012144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127222  -0.098960  -0.189453
+    0SOL     H2    2   0.057714  -0.097742  -0.123655
+    0SOL     H3    3   0.103561  -0.170872  -0.248029
+    1SOL     O4    4  -0.126416   0.097632   0.188924
+    1SOL     H5    5  -0.112356   0.161760   0.258582
+    1SOL     H6    6  -0.066947   0.124739   0.118988
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.235017   0.074595  -0.068081
+    0SOL     H2    2   0.186248   0.064036  -0.149766
+    0SOL     H3    3   0.176666   0.125358  -0.011684
+    1SOL     O4    4  -0.224672  -0.079823   0.065570
+    1SOL     H5    5  -0.212853  -0.023578   0.142114
+    1SOL     H6    6  -0.319519  -0.084241   0.053450
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135204   0.206367   0.008656
+    0SOL     H2    2  -0.212559   0.258986  -0.011588
+    0SOL     H3    3  -0.091188   0.254399   0.078783
+    1SOL     O4    4   0.137477  -0.216126  -0.015969
+    1SOL     H5    5   0.086344  -0.135353  -0.011138
+    1SOL     H6    6   0.185277  -0.219263   0.066903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.206200   0.061816  -0.127713
+    0SOL     H2    2   0.268004   0.037524  -0.058775
+    0SOL     H3    3   0.216895   0.156454  -0.137276
+    1SOL     O4    4  -0.211185  -0.063462   0.117473
+    1SOL     H5    5  -0.133477  -0.066305   0.173292
+    1SOL     H6    6  -0.280047  -0.104066   0.170119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.254296   0.033449  -0.036709
+    0SOL     H2    2   0.219282  -0.027601   0.028170
+    0SOL     H3    3   0.214995   0.117728  -0.014021
+    1SOL     O4    4  -0.252258  -0.031388   0.026723
+    1SOL     H5    5  -0.258419  -0.016061   0.121006
+    1SOL     H6    6  -0.201139  -0.111925   0.018791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088906   0.118914  -0.228080
+    0SOL     H2    2  -0.058131   0.175785  -0.298656
+    0SOL     H3    3  -0.080157   0.172019  -0.148924
+    1SOL     O4    4   0.086033  -0.119716   0.224155
+    1SOL     H5    5   0.020830  -0.157409   0.283232
+    1SOL     H6    6   0.159523  -0.180967   0.227302
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126077   0.241924   0.061733
+    0SOL     H2    2   0.031173   0.229795   0.058839
+    0SOL     H3    3   0.157665   0.170848   0.117525
+    1SOL     O4    4  -0.127962  -0.234319  -0.061114
+    1SOL     H5    5  -0.123591  -0.264797  -0.151747
+    1SOL     H6    6  -0.043543  -0.259053  -0.023380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034641   0.272034  -0.046538
+    0SOL     H2    2  -0.019027   0.235716   0.040637
+    0SOL     H3    3   0.051909   0.299239  -0.077056
+    1SOL     O4    4   0.034486  -0.275422   0.040685
+    1SOL     H5    5  -0.055307  -0.264925   0.009232
+    1SOL     H6    6   0.041579  -0.214183   0.113910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.205523  -0.010507  -0.183402
+    0SOL     H2    2   0.273704   0.002967  -0.249221
+    0SOL     H3    3   0.253274  -0.020091  -0.100999
+    1SOL     O4    4  -0.216311   0.008381   0.178864
+    1SOL     H5    5  -0.207612   0.091869   0.224867
+    1SOL     H6    6  -0.137157  -0.040177   0.202086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124447  -0.190959   0.184293
+    0SOL     H2    2  -0.059010  -0.127643   0.154775
+    0SOL     H3    3  -0.099903  -0.272760   0.141066
+    1SOL     O4    4   0.115784   0.188392  -0.183781
+    1SOL     H5    5   0.091145   0.254594  -0.119186
+    1SOL     H6    6   0.211477   0.190404  -0.184904
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.271722  -0.146723  -0.019567
+    0SOL     H2    2  -0.176786  -0.146053  -0.007361
+    0SOL     H3    3  -0.284772  -0.112833  -0.108130
+    1SOL     O4    4   0.268742   0.142581   0.018812
+    1SOL     H5    5   0.252184   0.095719   0.100617
+    1SOL     H6    6   0.242754   0.232855   0.037184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.150885  -0.255256  -0.064777
+    0SOL     H2    2  -0.150887  -0.323912   0.001922
+    0SOL     H3    3  -0.241488  -0.251578  -0.095434
+    1SOL     O4    4   0.150845   0.258144   0.061341
+    1SOL     H5    5   0.189268   0.253918   0.148909
+    1SOL     H6    6   0.224210   0.280285   0.003986
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.142722  -0.274369  -0.013708
+    0SOL     H2    2   0.202126  -0.348709  -0.003365
+    0SOL     H3    3   0.162697  -0.217194   0.060416
+    1SOL     O4    4  -0.146231   0.274470   0.002796
+    1SOL     H5    5  -0.134166   0.208791   0.071374
+    1SOL     H6    6  -0.165163   0.355451   0.050187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028158   0.198784   0.245014
+    0SOL     H2    2   0.039055   0.150933   0.327196
+    0SOL     H3    3   0.116374   0.203611   0.208176
+    1SOL     O4    4  -0.030206  -0.200969  -0.250246
+    1SOL     H5    5  -0.108691  -0.151096  -0.272942
+    1SOL     H6    6  -0.005755  -0.169025  -0.163390
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.249207  -0.101480  -0.214142
+    0SOL     H2    2  -0.251430  -0.167021  -0.283869
+    0SOL     H3    3  -0.218566  -0.149384  -0.137145
+    1SOL     O4    4   0.245343   0.106038   0.218829
+    1SOL     H5    5   0.302223   0.057185   0.159328
+    1SOL     H6    6   0.231536   0.190114   0.175207
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.325479   0.132973  -0.041012
+    0SOL     H2    2  -0.341307   0.145965   0.052492
+    0SOL     H3    3  -0.412702   0.133609  -0.080433
+    1SOL     O4    4   0.327758  -0.137970   0.037164
+    1SOL     H5    5   0.368890  -0.112023   0.119609
+    1SOL     H6    6   0.355105  -0.070926  -0.025442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.222508   0.116594  -0.269191
+    0SOL     H2    2  -0.229490   0.071604  -0.184992
+    0SOL     H3    3  -0.129069   0.114479  -0.289855
+    1SOL     O4    4   0.216392  -0.116460   0.259121
+    1SOL     H5    5   0.298367  -0.094744   0.303515
+    1SOL     H6    6   0.148031  -0.090196   0.320759
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067485   0.304766   0.229563
+    0SOL     H2    2  -0.117351   0.350448   0.297304
+    0SOL     H3    3  -0.068374   0.213026   0.256865
+    1SOL     O4    4   0.071989  -0.297521  -0.239356
+    1SOL     H5    5   0.092854  -0.301613  -0.146028
+    1SOL     H6    6   0.023801  -0.378379  -0.256742
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093180   0.178223  -0.341858
+    0SOL     H2    2  -0.060140   0.247642  -0.284835
+    0SOL     H3    3  -0.065358   0.097049  -0.299444
+    1SOL     O4    4   0.089445  -0.171477   0.337485
+    1SOL     H5    5   0.163210  -0.232348   0.333509
+    1SOL     H6    6   0.015099  -0.221650   0.304054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.250250   0.099613   0.279602
+    0SOL     H2    2  -0.316847   0.039252   0.246681
+    0SOL     H3    3  -0.240605   0.076624   0.372018
+    1SOL     O4    4   0.253815  -0.101207  -0.284408
+    1SOL     H5    5   0.325947  -0.046724  -0.252928
+    1SOL     H6    6   0.180140  -0.040737  -0.293221
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046481   0.412611  -0.050205
+    0SOL     H2    2  -0.048676   0.408585  -0.040658
+    0SOL     H3    3   0.063864   0.371513  -0.134887
+    1SOL     O4    4  -0.044242  -0.408577   0.047585
+    1SOL     H5    5  -0.095959  -0.459387   0.110083
+    1SOL     H6    6   0.036732  -0.388212   0.094392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.298246  -0.181703   0.256160
+    0SOL     H2    2   0.323249  -0.119188   0.188123
+    0SOL     H3    3   0.368770  -0.246423   0.256373
+    1SOL     O4    4  -0.300120   0.185094  -0.256304
+    1SOL     H5    5  -0.276117   0.111272  -0.200299
+    1SOL     H6    6  -0.392744   0.200316  -0.237560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.231370  -0.299588  -0.208472
+    0SOL     H2    2   0.240851  -0.266378  -0.297744
+    0SOL     H3    3   0.315150  -0.341844  -0.189561
+    1SOL     O4    4  -0.231649   0.302184   0.208438
+    1SOL     H5    5  -0.301546   0.348735   0.254369
+    1SOL     H6    6  -0.242091   0.210848   0.235105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.318055  -0.139093  -0.283327
+    0SOL     H2    2  -0.382659  -0.068543  -0.279969
+    0SOL     H3    3  -0.236408  -0.098257  -0.254541
+    1SOL     O4    4   0.315421   0.138878   0.278638
+    1SOL     H5    5   0.374489   0.071220   0.245537
+    1SOL     H6    6   0.292307   0.109534   0.366768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009335  -0.328635   0.313125
+    0SOL     H2    2  -0.028762  -0.339151   0.219989
+    0SOL     H3    3  -0.080650  -0.374236   0.357814
+    1SOL     O4    4   0.015855   0.331610  -0.303938
+    1SOL     H5    5  -0.072138   0.339140  -0.340857
+    1SOL     H6    6   0.073185   0.323027  -0.380108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.317807  -0.337581   0.055838
+    0SOL     H2    2   0.341585  -0.426175   0.083188
+    0SOL     H3    3   0.340240  -0.334341  -0.037160
+    1SOL     O4    4  -0.321043   0.346498  -0.047341
+    1SOL     H5    5  -0.323537   0.250861  -0.044204
+    1SOL     H6    6  -0.305447   0.367087  -0.139511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.456303   0.038679   0.267409
+    0SOL     H2    2   0.450395   0.041461   0.171912
+    0SOL     H3    3   0.366978   0.020241   0.296453
+    1SOL     O4    4  -0.455972  -0.038960  -0.259117
+    1SOL     H5    5  -0.447242  -0.084453  -0.342882
+    1SOL     H6    6  -0.383954   0.024088  -0.258428
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.008670  -0.284762   0.452640
+    0SOL     H2    2   0.043579  -0.364563   0.460646
+    0SOL     H3    3  -0.091845  -0.314162   0.415493
+    1SOL     O4    4   0.008877   0.295246  -0.454993
+    1SOL     H5    5  -0.044802   0.240233  -0.397945
+    1SOL     H6    6   0.098093   0.262886  -0.442519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077846  -0.307595  -0.435667
+    0SOL     H2    2   0.005624  -0.274948  -0.402063
+    0SOL     H3    3  -0.058244  -0.336261  -0.524865
+    1SOL     O4    4   0.068842   0.305461   0.445061
+    1SOL     H5    5   0.096846   0.249657   0.372507
+    1SOL     H6    6   0.092203   0.394117   0.417551
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.109691  -0.553931   0.246374
+    0SOL     H2    2  -0.187536  -0.596460   0.282343
+    0SOL     H3    3  -0.049512  -0.625958   0.227588
+    1SOL     O4    4   0.113078   0.556560  -0.242711
+    1SOL     H5    5   0.128865   0.547629  -0.336697
+    1SOL     H6    6   0.047047   0.625524  -0.235914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009174   0.124880  -0.000756
+    0SOL     H2    2   0.065374   0.184534  -0.007569
+    0SOL     H3    3  -0.085441   0.182389   0.005436
+    1SOL     O4    4   0.010628  -0.135126  -0.004921
+    1SOL     H5    5  -0.002010  -0.040438   0.001133
+    1SOL     H6    6   0.002077  -0.166288   0.085180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119624   0.039488  -0.023996
+    0SOL     H2    2  -0.107793   0.121630   0.023702
+    0SOL     H3    3  -0.152274   0.066131  -0.109941
+    1SOL     O4    4   0.126242  -0.048214   0.023342
+    1SOL     H5    5   0.036594  -0.070114  -0.002072
+    1SOL     H6    6   0.116245   0.012883   0.096345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025051   0.064104  -0.108891
+    0SOL     H2    2  -0.068898   0.082394  -0.110122
+    0SOL     H3    3   0.063546   0.132556  -0.163615
+    1SOL     O4    4  -0.020202  -0.068524   0.117847
+    1SOL     H5    5   0.025327  -0.036367   0.040031
+    1SOL     H6    6  -0.099710  -0.109594   0.083876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044019   0.109734  -0.050126
+    0SOL     H2    2  -0.009417   0.184308  -0.077430
+    0SOL     H3    3   0.120500   0.149106  -0.008138
+    1SOL     O4    4  -0.050582  -0.119385   0.052399
+    1SOL     H5    5  -0.038132  -0.024501   0.054462
+    1SOL     H6    6   0.025766  -0.152587   0.005166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071940  -0.082584  -0.073812
+    0SOL     H2    2   0.115072  -0.152579  -0.024795
+    0SOL     H3    3   0.130443  -0.065385  -0.147595
+    1SOL     O4    4  -0.076444   0.091248   0.078011
+    1SOL     H5    5  -0.011084   0.032735   0.039715
+    1SOL     H6    6  -0.158937   0.043283   0.070492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066938   0.109775   0.024416
+    0SOL     H2    2   0.094087   0.175422  -0.039738
+    0SOL     H3    3   0.099131   0.143259   0.108110
+    1SOL     O4    4  -0.076559  -0.116845  -0.028118
+    1SOL     H5    5  -0.028367  -0.035384  -0.013834
+    1SOL     H6    6  -0.017556  -0.185431   0.003138
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017146  -0.058731  -0.120651
+    0SOL     H2    2  -0.072071  -0.102607  -0.055686
+    0SOL     H3    3  -0.005564  -0.123630  -0.190050
+    1SOL     O4    4   0.024358   0.067529   0.125475
+    1SOL     H5    5  -0.070334   0.057110   0.134808
+    1SOL     H6    6   0.043172   0.037403   0.036589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040521   0.112600   0.062325
+    0SOL     H2    2  -0.003949   0.176894   0.001570
+    0SOL     H3    3  -0.124984   0.149422   0.088257
+    1SOL     O4    4   0.048858  -0.115892  -0.062648
+    1SOL     H5    5   0.012385  -0.203802  -0.072836
+    1SOL     H6    6  -0.018002  -0.067658  -0.014012
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090859   0.092043  -0.061670
+    0SOL     H2    2   0.142563   0.062241  -0.136508
+    0SOL     H3    3   0.037720   0.016191  -0.037482
+    1SOL     O4    4  -0.086732  -0.085914   0.059902
+    1SOL     H5    5  -0.096824  -0.156718   0.123520
+    1SOL     H6    6  -0.153201  -0.021673   0.084747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124070   0.029061   0.048048
+    0SOL     H2    2   0.194047   0.061559  -0.008604
+    0SOL     H3    3   0.111922   0.098120   0.113207
+    1SOL     O4    4  -0.132242  -0.040231  -0.048221
+    1SOL     H5    5  -0.133612   0.033975  -0.108668
+    1SOL     H6    6  -0.050907  -0.029513   0.001095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064379   0.055248  -0.109707
+    0SOL     H2    2  -0.085521  -0.002097  -0.183375
+    0SOL     H3    3   0.008088   0.109205  -0.141324
+    1SOL     O4    4   0.062460  -0.059406   0.114623
+    1SOL     H5    5   0.012403  -0.034822   0.192419
+    1SOL     H6    6   0.080171   0.023552   0.070276
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085591  -0.116096  -0.002983
+    0SOL     H2    2   0.126592  -0.074782  -0.078972
+    0SOL     H3    3   0.000657  -0.146416  -0.035064
+    1SOL     O4    4  -0.084696   0.119046   0.003889
+    1SOL     H5    5  -0.022971   0.046120   0.009737
+    1SOL     H6    6  -0.118704   0.128894   0.092820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132378   0.061011   0.004875
+    0SOL     H2    2  -0.041557   0.033802   0.018051
+    0SOL     H3    3  -0.161191   0.091009   0.091085
+    1SOL     O4    4   0.123081  -0.057351  -0.008876
+    1SOL     H5    5   0.198650  -0.028704  -0.060168
+    1SOL     H6    6   0.146248  -0.145318   0.020913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120502   0.062747  -0.056669
+    0SOL     H2    2   0.159868   0.121972   0.007402
+    0SOL     H3    3   0.040622   0.031273  -0.014350
+    1SOL     O4    4  -0.118145  -0.059700   0.044451
+    1SOL     H5    5  -0.049979  -0.125913   0.055923
+    1SOL     H6    6  -0.173246  -0.068253   0.122252
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135482  -0.016033   0.045136
+    0SOL     H2    2   0.165530  -0.087204  -0.011380
+    0SOL     H3    3   0.143344   0.062532  -0.008977
+    1SOL     O4    4  -0.138364   0.016644  -0.046426
+    1SOL     H5    5  -0.205142  -0.005843   0.018361
+    1SOL     H6    6  -0.057289   0.023357   0.004014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104929   0.070830   0.079122
+    0SOL     H2    2  -0.101955   0.163347   0.054748
+    0SOL     H3    3  -0.014490   0.040757   0.070248
+    1SOL     O4    4   0.104826  -0.070484  -0.078074
+    1SOL     H5    5   0.097755  -0.159110  -0.042611
+    1SOL     H6    6   0.015052  -0.046657  -0.101206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119563   0.034676  -0.088736
+    0SOL     H2    2   0.030547   0.002735  -0.073964
+    0SOL     H3    3   0.137860   0.090540  -0.013193
+    1SOL     O4    4  -0.111977  -0.031732   0.079508
+    1SOL     H5    5  -0.177162  -0.095062   0.049465
+    1SOL     H6    6  -0.110569  -0.042047   0.174660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074027  -0.016696  -0.126446
+    0SOL     H2    2   0.160280  -0.048803  -0.152752
+    0SOL     H3    3   0.082362   0.000377  -0.032631
+    1SOL     O4    4  -0.075907   0.012263   0.121870
+    1SOL     H5    5  -0.068561   0.065060   0.201374
+    1SOL     H6    6  -0.139912   0.058780   0.068001
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002150  -0.140894  -0.020669
+    0SOL     H2    2   0.052118  -0.146147  -0.099344
+    0SOL     H3    3   0.022756  -0.217637   0.030833
+    1SOL     O4    4   0.001715   0.148503   0.018740
+    1SOL     H5    5  -0.026838   0.173705   0.106557
+    1SOL     H6    6  -0.054517   0.074608  -0.004495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022811  -0.138498  -0.027753
+    0SOL     H2    2  -0.023493  -0.234181  -0.030330
+    0SOL     H3    3  -0.039357  -0.111936  -0.118213
+    1SOL     O4    4   0.022506   0.145080   0.026599
+    1SOL     H5    5  -0.019260   0.066829   0.062582
+    1SOL     H6    6   0.083174   0.173494   0.094969
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031235   0.114850   0.081880
+    0SOL     H2    2   0.099647   0.090441   0.144221
+    0SOL     H3    3   0.070309   0.184834   0.029556
+    1SOL     O4    4  -0.041948  -0.118036  -0.086926
+    1SOL     H5    5  -0.034786  -0.049230  -0.020769
+    1SOL     H6    6   0.033426  -0.174786  -0.070787
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000910  -0.083037   0.128582
+    0SOL     H2    2   0.012709  -0.031392   0.049149
+    0SOL     H3    3  -0.092062  -0.111756   0.123201
+    1SOL     O4    4   0.003005   0.076866  -0.119989
+    1SOL     H5    5   0.001554   0.170319  -0.099330
+    1SOL     H6    6   0.044826   0.071937  -0.205948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109761  -0.014259   0.089955
+    0SOL     H2    2   0.157818  -0.088972   0.054308
+    0SOL     H3    3   0.148315   0.000046   0.176392
+    1SOL     O4    4  -0.113418   0.022377  -0.098707
+    1SOL     H5    5  -0.054688  -0.012608  -0.031705
+    1SOL     H6    6  -0.199820  -0.011140  -0.074758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039965  -0.148610   0.006678
+    0SOL     H2    2   0.017727  -0.172172   0.079334
+    0SOL     H3    3  -0.042349  -0.052929   0.007983
+    1SOL     O4    4   0.035567   0.137027  -0.009352
+    1SOL     H5    5  -0.024349   0.207797  -0.033097
+    1SOL     H6    6   0.121543   0.178864  -0.004863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103028  -0.005976   0.114469
+    0SOL     H2    2  -0.053679  -0.087362   0.104311
+    0SOL     H3    3  -0.037401   0.058856   0.140006
+    1SOL     O4    4   0.102243   0.004657  -0.114023
+    1SOL     H5    5   0.080944   0.076035  -0.174138
+    1SOL     H6    6   0.017330  -0.026371  -0.082566
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116566  -0.063489   0.056990
+    0SOL     H2    2   0.199494  -0.066419   0.009275
+    0SOL     H3    3   0.127505  -0.126704   0.128028
+    1SOL     O4    4  -0.127945   0.065330  -0.060520
+    1SOL     H5    5  -0.058892   0.020514  -0.011677
+    1SOL     H6    6  -0.091496   0.151708  -0.079824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051943   0.059619   0.119897
+    0SOL     H2    2  -0.118346   0.128468   0.123477
+    0SOL     H3    3  -0.010514   0.061725   0.206161
+    1SOL     O4    4   0.055378  -0.065152  -0.132035
+    1SOL     H5    5   0.102198  -0.089241  -0.052098
+    1SOL     H6    6  -0.025128  -0.023626  -0.101105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089771  -0.036046  -0.123383
+    0SOL     H2    2  -0.043732  -0.008091  -0.044255
+    0SOL     H3    3  -0.020953  -0.070559  -0.180262
+    1SOL     O4    4   0.079579   0.035599   0.116662
+    1SOL     H5    5   0.110410  -0.028719   0.180498
+    1SOL     H6    6   0.115555   0.118876   0.147206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084856  -0.015124  -0.123557
+    0SOL     H2    2   0.133807  -0.028639  -0.042419
+    0SOL     H3    3   0.137882   0.046959  -0.173519
+    1SOL     O4    4  -0.089377   0.009887   0.127890
+    1SOL     H5    5  -0.085564  -0.038441   0.045354
+    1SOL     H6    6  -0.120100   0.097122   0.103224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014575   0.115606  -0.107787
+    0SOL     H2    2  -0.058173   0.073521  -0.153601
+    0SOL     H3    3   0.003370   0.089923  -0.016261
+    1SOL     O4    4  -0.010668  -0.106017   0.102294
+    1SOL     H5    5   0.071359  -0.149656   0.125305
+    1SOL     H6    6  -0.078988  -0.164758   0.134607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057503  -0.072437   0.128337
+    0SOL     H2    2   0.019024  -0.089961   0.183098
+    0SOL     H3    3  -0.024689  -0.015472   0.058762
+    1SOL     O4    4   0.046300   0.069324  -0.127133
+    1SOL     H5    5   0.091935   0.151740  -0.110181
+    1SOL     H6    6   0.114760   0.009841  -0.157747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021253   0.102477   0.113855
+    0SOL     H2    2   0.116071   0.093634   0.123531
+    0SOL     H3    3  -0.015071   0.033358   0.169220
+    1SOL     O4    4  -0.020754  -0.101445  -0.120899
+    1SOL     H5    5   0.002955  -0.028830  -0.063217
+    1SOL     H6    6  -0.116274  -0.097875  -0.125956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085165  -0.069649  -0.118328
+    0SOL     H2    2  -0.136508  -0.124976  -0.059464
+    0SOL     H3    3  -0.037398  -0.010540  -0.060131
+    1SOL     O4    4   0.082295   0.074465   0.107501
+    1SOL     H5    5   0.152269   0.013433   0.084241
+    1SOL     H6    6   0.058970   0.051118   0.197352
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035714   0.110375   0.099381
+    0SOL     H2    2   0.006223   0.095199   0.184077
+    0SOL     H3    3  -0.000274   0.194204   0.069732
+    1SOL     O4    4   0.033866  -0.116837  -0.098148
+    1SOL     H5    5  -0.029192  -0.044825  -0.098388
+    1SOL     H6    6   0.043240  -0.140836  -0.190335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123834   0.042147   0.096279
+    0SOL     H2    2  -0.046091   0.097974   0.097591
+    0SOL     H3    3  -0.090648  -0.044678   0.073422
+    1SOL     O4    4   0.113605  -0.044388  -0.092907
+    1SOL     H5    5   0.165858   0.019083  -0.043882
+    1SOL     H6    6   0.147498  -0.039443  -0.182289
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015793  -0.139496  -0.069785
+    0SOL     H2    2  -0.051438  -0.203551  -0.046566
+    0SOL     H3    3  -0.027627  -0.080340  -0.131247
+    1SOL     O4    4  -0.011399   0.142348   0.065989
+    1SOL     H5    5  -0.002442   0.184124   0.151644
+    1SOL     H6    6   0.011768   0.050764   0.081415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126317  -0.103124  -0.006884
+    0SOL     H2    2   0.084229  -0.018186  -0.020166
+    0SOL     H3    3   0.201558  -0.084124   0.049153
+    1SOL     O4    4  -0.123614   0.092449   0.003690
+    1SOL     H5    5  -0.202210   0.118339  -0.044422
+    1SOL     H6    6  -0.113984   0.159194   0.071622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059590   0.145421   0.024682
+    0SOL     H2    2  -0.116134   0.220681   0.042035
+    0SOL     H3    3   0.016391   0.158926   0.081310
+    1SOL     O4    4   0.063096  -0.154079  -0.028526
+    1SOL     H5    5  -0.029831  -0.173338  -0.016038
+    1SOL     H6    6   0.066135  -0.059724  -0.044344
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111315  -0.103044  -0.074040
+    0SOL     H2    2   0.061670  -0.042480  -0.018999
+    0SOL     H3    3   0.064340  -0.103687  -0.157438
+    1SOL     O4    4  -0.105017   0.101411   0.069751
+    1SOL     H5    5  -0.164999   0.035548   0.104773
+    1SOL     H6    6  -0.056529   0.132732   0.146107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021869   0.060970   0.160772
+    0SOL     H2    2  -0.041590   0.017945   0.103464
+    0SOL     H3    3  -0.031374   0.102654   0.228521
+    1SOL     O4    4  -0.009995  -0.064812  -0.161792
+    1SOL     H5    5  -0.083912  -0.060754  -0.101111
+    1SOL     H6    6  -0.026121   0.006098  -0.224033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063416   0.106335  -0.113592
+    0SOL     H2    2   0.138050   0.166248  -0.115218
+    0SOL     H3    3  -0.007258   0.154878  -0.156148
+    1SOL     O4    4  -0.064117  -0.106752   0.119191
+    1SOL     H5    5   0.011196  -0.132466   0.066002
+    1SOL     H6    6  -0.123088  -0.182048   0.115281
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.149044   0.060886   0.049874
+    0SOL     H2    2  -0.215983   0.117931   0.012094
+    0SOL     H3    3  -0.128496   0.100738   0.134443
+    1SOL     O4    4   0.156654  -0.070254  -0.055931
+    1SOL     H5    5   0.170402  -0.029213   0.029445
+    1SOL     H6    6   0.065699  -0.050073  -0.077891
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012893   0.034881   0.173930
+    0SOL     H2    2   0.066533  -0.014297   0.111748
+    0SOL     H3    3  -0.055932  -0.026351   0.199929
+    1SOL     O4    4  -0.016595  -0.023265  -0.173177
+    1SOL     H5    5  -0.034094  -0.112694  -0.143879
+    1SOL     H6    6   0.078715  -0.018718  -0.180779
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.081395   0.114615   0.114491
+    0SOL     H2    2  -0.006349   0.171433   0.131870
+    0SOL     H3    3  -0.056400   0.065016   0.036533
+    1SOL     O4    4   0.074405  -0.108742  -0.109026
+    1SOL     H5    5   0.067061  -0.150708  -0.194742
+    1SOL     H6    6   0.096325  -0.180134  -0.049151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035914  -0.026907   0.167027
+    0SOL     H2    2   0.049140  -0.041289   0.260731
+    0SOL     H3    3  -0.058575  -0.035695   0.154499
+    1SOL     O4    4  -0.036402   0.023211  -0.173800
+    1SOL     H5    5   0.007765   0.033870  -0.089550
+    1SOL     H6    6  -0.003958   0.095692  -0.227244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066300  -0.137569  -0.078575
+    0SOL     H2    2   0.139656  -0.194568  -0.101649
+    0SOL     H3    3  -0.009384  -0.177190  -0.121754
+    1SOL     O4    4  -0.065968   0.146256   0.086560
+    1SOL     H5    5   0.013399   0.110479   0.046770
+    1SOL     H6    6  -0.137549   0.108627   0.035349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.152310   0.097052  -0.035771
+    0SOL     H2    2   0.076249   0.133560  -0.080987
+    0SOL     H3    3   0.117846   0.021721   0.012184
+    1SOL     O4    4  -0.141300  -0.097685   0.039576
+    1SOL     H5    5  -0.163305  -0.120810  -0.050664
+    1SOL     H6    6  -0.199443  -0.024576   0.060475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.109816  -0.048119  -0.134444
+    0SOL     H2    2  -0.122714   0.045788  -0.121120
+    0SOL     H3    3  -0.179150  -0.089408  -0.082962
+    1SOL     O4    4   0.121645   0.045856   0.130009
+    1SOL     H5    5   0.060085   0.098833   0.180666
+    1SOL     H6    6   0.067507  -0.022247   0.090091
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116237   0.032280   0.143195
+    0SOL     H2    2  -0.131389   0.005278   0.052621
+    0SOL     H3    3  -0.052543  -0.030822   0.176714
+    1SOL     O4    4   0.109236  -0.024327  -0.134462
+    1SOL     H5    5   0.141752  -0.112888  -0.150646
+    1SOL     H6    6   0.140215   0.026665  -0.209311
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016093   0.104902   0.153404
+    0SOL     H2    2  -0.043216   0.179642   0.145747
+    0SOL     H3    3   0.015354   0.064682   0.066548
+    1SOL     O4    4  -0.007382  -0.110806  -0.145172
+    1SOL     H5    5  -0.002543  -0.025957  -0.189213
+    1SOL     H6    6  -0.100558  -0.132728  -0.145485
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101570   0.153148   0.012594
+    0SOL     H2    2   0.187659   0.192658  -0.001190
+    0SOL     H3    3   0.044951   0.226620   0.036227
+    1SOL     O4    4  -0.102872  -0.163475  -0.007709
+    1SOL     H5    5  -0.102547  -0.070034  -0.028469
+    1SOL     H6    6  -0.117619  -0.206697  -0.091833
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106018   0.019152   0.165801
+    0SOL     H2    2   0.138950  -0.070529   0.159868
+    0SOL     H3    3   0.059154   0.033003   0.083496
+    1SOL     O4    4  -0.107412  -0.008916  -0.156758
+    1SOL     H5    5  -0.130080  -0.100913  -0.143155
+    1SOL     H6    6  -0.045976  -0.009937  -0.230154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.164071   0.093259   0.049974
+    0SOL     H2    2   0.223692   0.018686   0.043158
+    0SOL     H3    3   0.122664   0.098831  -0.036147
+    1SOL     O4    4  -0.169914  -0.084839  -0.048268
+    1SOL     H5    5  -0.116372  -0.066627   0.028959
+    1SOL     H6    6  -0.148812  -0.175317  -0.071307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.181167  -0.035647  -0.035998
+    0SOL     H2    2   0.216868   0.025450   0.028461
+    0SOL     H3    3   0.246055  -0.105837  -0.041044
+    1SOL     O4    4  -0.193449   0.036446   0.035504
+    1SOL     H5    5  -0.145064  -0.039259   0.002489
+    1SOL     H6    6  -0.132974   0.109926   0.025219
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033141   0.099156  -0.166061
+    0SOL     H2    2   0.098505   0.068947  -0.102996
+    0SOL     H3    3   0.003446   0.183295  -0.131405
+    1SOL     O4    4  -0.035658  -0.099470   0.167474
+    1SOL     H5    5  -0.053509  -0.048101   0.088704
+    1SOL     H6    6  -0.007311  -0.184775   0.134582
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083700   0.141761   0.111167
+    0SOL     H2    2   0.013792   0.080146   0.089281
+    0SOL     H3    3   0.047248   0.195392   0.181574
+    1SOL     O4    4  -0.075737  -0.136973  -0.110383
+    1SOL     H5    5  -0.147595  -0.195553  -0.086566
+    1SOL     H6    6  -0.050466  -0.164577  -0.198483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.107837  -0.010314  -0.172708
+    0SOL     H2    2   0.070408  -0.077707  -0.229450
+    0SOL     H3    3   0.038995   0.055780  -0.165312
+    1SOL     O4    4  -0.096905   0.014165   0.178133
+    1SOL     H5    5  -0.189280   0.019185   0.202710
+    1SOL     H6    6  -0.093974  -0.052221   0.109238
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.200120  -0.021178  -0.016276
+    0SOL     H2    2   0.240284  -0.017257   0.070522
+    0SOL     H3    3   0.262713  -0.070300  -0.069487
+    1SOL     O4    4  -0.207778   0.017624   0.015802
+    1SOL     H5    5  -0.219666   0.056524  -0.070846
+    1SOL     H6    6  -0.172262   0.088604   0.069307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.167156   0.124534   0.052677
+    0SOL     H2    2   0.079308   0.143195   0.019558
+    0SOL     H3    3   0.223450   0.129306  -0.024593
+    1SOL     O4    4  -0.162027  -0.121177  -0.050102
+    1SOL     H5    5  -0.218143  -0.102240   0.025096
+    1SOL     H6    6  -0.163423  -0.216587  -0.057665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046581   0.142269  -0.148438
+    0SOL     H2    2  -0.070756   0.228595  -0.181991
+    0SOL     H3    3  -0.007527   0.097439  -0.223454
+    1SOL     O4    4   0.048215  -0.149903   0.154855
+    1SOL     H5    5  -0.001145  -0.114685   0.080791
+    1SOL     H6    6   0.050049  -0.078515   0.218594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110159   0.085192   0.161990
+    0SOL     H2    2  -0.121331   0.156760   0.224564
+    0SOL     H3    3  -0.171628   0.017908   0.191260
+    1SOL     O4    4   0.108748  -0.087129  -0.164304
+    1SOL     H5    5   0.170485  -0.018219  -0.139765
+    1SOL     H6    6   0.146796  -0.126614  -0.242761
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.176801   0.059824  -0.113196
+    0SOL     H2    2   0.252282   0.029713  -0.163776
+    0SOL     H3    3   0.182781   0.012093  -0.030441
+    1SOL     O4    4  -0.184901  -0.051507   0.114748
+    1SOL     H5    5  -0.213726  -0.121619   0.056303
+    1SOL     H6    6  -0.089375  -0.053132   0.108888
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146615  -0.126501   0.101850
+    0SOL     H2    2  -0.161844  -0.202820   0.046120
+    0SOL     H3    3  -0.226780  -0.074768   0.094130
+    1SOL     O4    4   0.154545   0.130901  -0.093879
+    1SOL     H5    5   0.088139   0.062888  -0.082616
+    1SOL     H6    6   0.161581   0.142109  -0.188680
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084977  -0.155495  -0.135242
+    0SOL     H2    2   0.017995  -0.121572  -0.194613
+    0SOL     H3    3   0.037252  -0.213348  -0.075763
+    1SOL     O4    4  -0.074144   0.155166   0.131006
+    1SOL     H5    5  -0.070122   0.137661   0.225025
+    1SOL     H6    6  -0.155942   0.203422   0.119057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013723   0.121145  -0.196983
+    0SOL     H2    2   0.061217   0.074021  -0.160572
+    0SOL     H3    3  -0.079924   0.117977  -0.127920
+    1SOL     O4    4   0.006790  -0.118385   0.190271
+    1SOL     H5    5   0.066420  -0.043523   0.191808
+    1SOL     H6    6   0.062066  -0.193539   0.211689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067825   0.212618  -0.036210
+    0SOL     H2    2   0.154908   0.213190  -0.075940
+    0SOL     H3    3   0.008207   0.196314  -0.109300
+    1SOL     O4    4  -0.070272  -0.207834   0.037940
+    1SOL     H5    5  -0.053879  -0.178210   0.127472
+    1SOL     H6    6  -0.077550  -0.303008   0.045106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.185630   0.139472   0.058997
+    0SOL     H2    2  -0.168828   0.190186  -0.020427
+    0SOL     H3    3  -0.273003   0.102632   0.045913
+    1SOL     O4    4   0.186546  -0.136795  -0.059803
+    1SOL     H5    5   0.249540  -0.208830  -0.062058
+    1SOL     H6    6   0.172049  -0.120500   0.033399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010133  -0.198832  -0.137759
+    0SOL     H2    2  -0.032514  -0.200230  -0.230815
+    0SOL     H3    3  -0.090042  -0.169023  -0.094303
+    1SOL     O4    4   0.015269   0.192293   0.143343
+    1SOL     H5    5   0.085033   0.219239   0.083600
+    1SOL     H6    6  -0.046561   0.265360   0.142547
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054851   0.175860   0.156254
+    0SOL     H2    2  -0.026698   0.214010   0.188758
+    0SOL     H3    3   0.082319   0.115529   0.225305
+    1SOL     O4    4  -0.045115  -0.177276  -0.162746
+    1SOL     H5    5  -0.070962  -0.085783  -0.151635
+    1SOL     H6    6  -0.127782  -0.225486  -0.164808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.144481  -0.051199  -0.197271
+    0SOL     H2    2   0.068672  -0.058351  -0.255273
+    0SOL     H3    3   0.107032  -0.046414  -0.109310
+    1SOL     O4    4  -0.140934   0.046270   0.191244
+    1SOL     H5    5  -0.182624   0.131374   0.204720
+    1SOL     H6    6  -0.062729   0.048859   0.246376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.175001   0.120278   0.114811
+    0SOL     H2    2   0.259591   0.103678   0.073203
+    0SOL     H3    3   0.193533   0.186700   0.181196
+    1SOL     O4    4  -0.180048  -0.128688  -0.117374
+    1SOL     H5    5  -0.201727  -0.055982  -0.175737
+    1SOL     H6    6  -0.156638  -0.086814  -0.034544
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074044  -0.094039   0.215535
+    0SOL     H2    2  -0.001063  -0.049098   0.258155
+    0SOL     H3    3  -0.094068  -0.167567   0.273457
+    1SOL     O4    4   0.073747   0.094552  -0.226303
+    1SOL     H5    5   0.116211   0.131897  -0.149073
+    1SOL     H6    6  -0.017961   0.084531  -0.200778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080213   0.021611   0.238695
+    0SOL     H2    2  -0.018313  -0.051082   0.245510
+    0SOL     H3    3  -0.038020   0.093546   0.285678
+    1SOL     O4    4   0.068302  -0.018017  -0.240097
+    1SOL     H5    5   0.081012  -0.099366  -0.288915
+    1SOL     H6    6   0.156571   0.008515  -0.214272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.175240   0.113937  -0.162160
+    0SOL     H2    2   0.125313   0.195595  -0.163455
+    0SOL     H3    3   0.109288   0.045319  -0.172367
+    1SOL     O4    4  -0.167129  -0.119602   0.157483
+    1SOL     H5    5  -0.141608  -0.126585   0.249473
+    1SOL     H6    6  -0.213480  -0.036052   0.151712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066353  -0.065389  -0.262126
+    0SOL     H2    2  -0.081584   0.029093  -0.264017
+    0SOL     H3    3   0.017751  -0.077028  -0.306323
+    1SOL     O4    4   0.056424   0.058746   0.268730
+    1SOL     H5    5   0.097097   0.011750   0.195933
+    1SOL     H6    6   0.110286   0.137096   0.279800
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068361   0.080106   0.266475
+    0SOL     H2    2   0.025233   0.165168   0.258306
+    0SOL     H3    3  -0.002995   0.018525   0.283163
+    1SOL     O4    4  -0.063727  -0.087477  -0.267491
+    1SOL     H5    5  -0.030177  -0.027188  -0.333838
+    1SOL     H6    6  -0.077966  -0.032702  -0.190295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031121   0.220882  -0.195451
+    0SOL     H2    2   0.003965   0.307093  -0.217790
+    0SOL     H3    3   0.038790   0.178737  -0.145465
+    1SOL     O4    4   0.018932  -0.225684   0.192053
+    1SOL     H5    5   0.103547  -0.263316   0.167836
+    1SOL     H6    6   0.040835  -0.152541   0.249783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010405  -0.295373  -0.047035
+    0SOL     H2    2   0.022928  -0.363198   0.011711
+    0SOL     H3    3  -0.018944  -0.339086  -0.131761
+    1SOL     O4    4   0.003909   0.304468   0.053032
+    1SOL     H5    5   0.050004   0.353408  -0.015103
+    1SOL     H6    6   0.038122   0.215358   0.045886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.180955   0.250362   0.008516
+    0SOL     H2    2  -0.137183   0.182737  -0.043187
+    0SOL     H3    3  -0.216702   0.310875  -0.056466
+    1SOL     O4    4   0.179640  -0.243175  -0.000422
+    1SOL     H5    5   0.237667  -0.281032  -0.066468
+    1SOL     H6    6   0.133095  -0.318233   0.036487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.129423   0.216096  -0.192249
+    0SOL     H2    2   0.069390   0.246214  -0.124049
+    0SOL     H3    3   0.172667   0.295746  -0.223041
+    1SOL     O4    4  -0.131834  -0.228050   0.192132
+    1SOL     H5    5  -0.067571  -0.175845   0.240165
+    1SOL     H6    6  -0.134454  -0.188616   0.104952
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.306576  -0.105453   0.027850
+    0SOL     H2    2  -0.343386  -0.175974  -0.025386
+    0SOL     H3    3  -0.343204  -0.119653   0.115137
+    1SOL     O4    4   0.311754   0.110405  -0.035763
+    1SOL     H5    5   0.329292   0.043535   0.030442
+    1SOL     H6    6   0.271666   0.182425   0.012903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094444  -0.194913   0.308593
+    0SOL     H2    2  -0.020463  -0.134814   0.299802
+    0SOL     H3    3  -0.152923  -0.152012   0.371059
+    1SOL     O4    4   0.095630   0.192939  -0.305712
+    1SOL     H5    5   0.147497   0.141070  -0.367208
+    1SOL     H6    6   0.005628   0.184567  -0.337207
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096743  -0.109044  -0.346165
+    0SOL     H2    2  -0.118676  -0.026321  -0.389039
+    0SOL     H3    3  -0.071608  -0.167297  -0.417839
+    1SOL     O4    4   0.099787   0.110113   0.348198
+    1SOL     H5    5   0.052510   0.026924   0.345588
+    1SOL     H6    6   0.085764   0.142908   0.437025
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.367411  -0.078695  -0.026148
+    0SOL     H2    2  -0.435027  -0.049445  -0.087262
+    0SOL     H3    3  -0.415806  -0.121353   0.044566
+    1SOL     O4    4   0.370309   0.082226   0.030062
+    1SOL     H5    5   0.363338  -0.010386   0.006894
+    1SOL     H6    6   0.438261   0.116446  -0.028023
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113129  -0.353200  -0.114993
+    0SOL     H2    2   0.167195  -0.280782  -0.083454
+    0SOL     H3    3   0.096146  -0.332244  -0.206834
+    1SOL     O4    4  -0.121640   0.349956   0.120130
+    1SOL     H5    5  -0.093522   0.296323   0.046001
+    1SOL     H6    6  -0.040666   0.370898   0.166681
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027402   0.357881   0.147679
+    0SOL     H2    2  -0.048427   0.312685   0.110671
+    0SOL     H3    3   0.011395   0.358291   0.242050
+    1SOL     O4    4  -0.028230  -0.350645  -0.150710
+    1SOL     H5    5   0.001236  -0.409460  -0.220243
+    1SOL     H6    6   0.030366  -0.369032  -0.077289
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.200112  -0.115747   0.332232
+    0SOL     H2    2   0.139935  -0.044031   0.352178
+    0SOL     H3    3   0.149979  -0.173965   0.275137
+    1SOL     O4    4  -0.199190   0.110629  -0.329959
+    1SOL     H5    5  -0.134899   0.116280  -0.400648
+    1SOL     H6    6  -0.170202   0.175585  -0.265906
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.338685  -0.130536   0.170093
+    0SOL     H2    2   0.422567  -0.160145   0.134745
+    0SOL     H3    3   0.326769  -0.182005   0.249913
+    1SOL     O4    4  -0.343286   0.130800  -0.166644
+    1SOL     H5    5  -0.280346   0.201694  -0.179866
+    1SOL     H6    6  -0.393842   0.128129  -0.247880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014515   0.417956   0.097830
+    0SOL     H2    2  -0.023705   0.397765   0.190944
+    0SOL     H3    3  -0.072476   0.355695   0.053938
+    1SOL     O4    4   0.014007  -0.416903  -0.099394
+    1SOL     H5    5   0.028962  -0.378182  -0.185645
+    1SOL     H6    6   0.083984  -0.381297  -0.044642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019150   0.134546   0.410747
+    0SOL     H2    2  -0.004018   0.149116   0.504133
+    0SOL     H3    3   0.063921   0.099988   0.378079
+    1SOL     O4    4   0.010026  -0.135692  -0.411031
+    1SOL     H5    5   0.055537  -0.053825  -0.391314
+    1SOL     H6    6   0.059142  -0.173486  -0.483980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043168  -0.018593  -0.129399
+    0SOL     H2    2   0.008361  -0.009713  -0.049223
+    0SOL     H3    3   0.018868  -0.051920  -0.194230
+    1SOL     O4    4   0.041247   0.016646   0.126403
+    1SOL     H5    5   0.037142   0.111618   0.137619
+    1SOL     H6    6  -0.046013  -0.014199   0.150829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102571  -0.004283   0.078468
+    0SOL     H2    2   0.174185   0.050354   0.110850
+    0SOL     H3    3   0.100948  -0.079371   0.137810
+    1SOL     O4    4  -0.111896   0.003601  -0.083983
+    1SOL     H5    5  -0.045895   0.010228  -0.014974
+    1SOL     H6    6  -0.069261   0.040048  -0.161548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079560  -0.020572   0.111568
+    0SOL     H2    2  -0.001930  -0.049816   0.063812
+    0SOL     H3    3  -0.145919  -0.086831   0.092374
+    1SOL     O4    4   0.081453   0.024621  -0.101354
+    1SOL     H5    5  -0.000539   0.071868  -0.115756
+    1SOL     H6    6   0.114059   0.005762  -0.189351
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113578  -0.001816   0.063422
+    0SOL     H2    2   0.195044   0.047757   0.071670
+    0SOL     H3    3   0.113366  -0.060402   0.139119
+    1SOL     O4    4  -0.120623  -0.000551  -0.073811
+    1SOL     H5    5  -0.171349   0.037538  -0.002129
+    1SOL     H6    6  -0.029341   0.014666  -0.049348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027667  -0.088910  -0.100821
+    0SOL     H2    2   0.076036  -0.169446  -0.119171
+    0SOL     H3    3   0.093302  -0.019525  -0.107150
+    1SOL     O4    4  -0.035287   0.092070   0.107553
+    1SOL     H5    5  -0.012859   0.000770   0.089561
+    1SOL     H6    6  -0.008430   0.139352   0.028779
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028497  -0.127833   0.064283
+    0SOL     H2    2  -0.041672  -0.038011   0.033941
+    0SOL     H3    3   0.063778  -0.145921   0.046377
+    1SOL     O4    4   0.029396   0.122629  -0.058073
+    1SOL     H5    5   0.031986   0.130608  -0.153425
+    1SOL     H6    6  -0.062397   0.137298  -0.035247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126197   0.056716  -0.047682
+    0SOL     H2    2   0.169877   0.036834   0.035138
+    0SOL     H3    3   0.044201   0.007468  -0.043996
+    1SOL     O4    4  -0.120129  -0.046994   0.039389
+    1SOL     H5    5  -0.109413  -0.076640   0.129769
+    1SOL     H6    6  -0.186766  -0.105155   0.002795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114005  -0.064463   0.068610
+    0SOL     H2    2  -0.034065  -0.085797   0.020477
+    0SOL     H3    3  -0.133754   0.025779   0.043537
+    1SOL     O4    4   0.113338   0.055810  -0.060793
+    1SOL     H5    5   0.069358   0.052034  -0.145727
+    1SOL     H6    6   0.102620   0.146538  -0.032230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122481  -0.014724   0.070496
+    0SOL     H2    2   0.213743  -0.041344   0.059317
+    0SOL     H3    3   0.085429  -0.018426  -0.017684
+    1SOL     O4    4  -0.124136   0.012035  -0.070018
+    1SOL     H5    5  -0.173207  -0.006536   0.010041
+    1SOL     H6    6  -0.096592   0.103229  -0.060674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040944  -0.113340  -0.078630
+    0SOL     H2    2  -0.075775  -0.157391  -0.001115
+    0SOL     H3    3  -0.102751  -0.042257  -0.095641
+    1SOL     O4    4   0.043419   0.115827   0.080322
+    1SOL     H5    5  -0.005749   0.080412   0.006223
+    1SOL     H6    6   0.132768   0.084095   0.067202
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126133   0.040067  -0.053776
+    0SOL     H2    2   0.118500   0.132464  -0.077584
+    0SOL     H3    3   0.150053   0.041062   0.038901
+    1SOL     O4    4  -0.130933  -0.040177   0.051058
+    1SOL     H5    5  -0.038159  -0.051008   0.071986
+    1SOL     H6    6  -0.154592  -0.120465   0.004621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076387  -0.086366   0.075289
+    0SOL     H2    2  -0.061714  -0.157809   0.137280
+    0SOL     H3    3  -0.161634  -0.050416   0.099842
+    1SOL     O4    4   0.081009   0.093765  -0.078248
+    1SOL     H5    5   0.027768   0.022255  -0.043405
+    1SOL     H6    6   0.119307   0.058284  -0.158476
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112770   0.066215   0.067900
+    0SOL     H2    2   0.093261   0.158385   0.084822
+    0SOL     H3    3   0.050110   0.040443   0.000284
+    1SOL     O4    4  -0.103850  -0.068034  -0.060019
+    1SOL     H5    5  -0.175341  -0.024739  -0.106677
+    1SOL     H6    6  -0.099585  -0.155558  -0.098536
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.134917  -0.020844  -0.041946
+    0SOL     H2    2   0.137980  -0.115870  -0.053039
+    0SOL     H3    3   0.114430   0.012851  -0.129165
+    1SOL     O4    4  -0.139425   0.026311   0.046549
+    1SOL     H5    5  -0.110264   0.033930   0.137400
+    1SOL     H6    6  -0.062285  -0.004684  -0.000896
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054267   0.007188   0.133922
+    0SOL     H2    2  -0.019418   0.062804   0.108630
+    0SOL     H3    3   0.123938   0.068658   0.156939
+    1SOL     O4    4  -0.050061  -0.011061  -0.138341
+    1SOL     H5    5  -0.030027  -0.025006  -0.045785
+    1SOL     H6    6  -0.135915  -0.051548  -0.150677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062854  -0.102938   0.084543
+    0SOL     H2    2   0.000888  -0.041808   0.047634
+    0SOL     H3    3  -0.009837  -0.168061   0.130483
+    1SOL     O4    4   0.062207   0.103290  -0.079688
+    1SOL     H5    5   0.057009   0.052566  -0.160696
+    1SOL     H6    6  -0.020504   0.151336  -0.076108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096456  -0.078858  -0.061284
+    0SOL     H2    2  -0.140697  -0.022575  -0.124824
+    0SOL     H3    3  -0.145075  -0.161258  -0.064268
+    1SOL     O4    4   0.100583   0.086348   0.065654
+    1SOL     H5    5   0.183930   0.039280   0.065205
+    1SOL     H6    6   0.034846   0.018911   0.048529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104711   0.061716   0.072726
+    0SOL     H2    2  -0.035951   0.042221   0.136399
+    0SOL     H3    3  -0.184117   0.071252   0.125318
+    1SOL     O4    4   0.108415  -0.058526  -0.072849
+    1SOL     H5    5   0.026694  -0.032586  -0.115407
+    1SOL     H6    6   0.142067  -0.129918  -0.127006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091952  -0.118021  -0.034261
+    0SOL     H2    2  -0.125370  -0.069086  -0.109434
+    0SOL     H3    3  -0.045077  -0.052855   0.017879
+    1SOL     O4    4   0.085633   0.108180   0.035960
+    1SOL     H5    5   0.164745   0.101150   0.089385
+    1SOL     H6    6   0.105282   0.177544  -0.027006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001182   0.099716  -0.116853
+    0SOL     H2    2  -0.027269   0.019863  -0.072396
+    0SOL     H3    3   0.006219   0.165368  -0.047378
+    1SOL     O4    4  -0.003410  -0.101370   0.105260
+    1SOL     H5    5   0.090735  -0.100946   0.122546
+    1SOL     H6    6  -0.042132  -0.059695   0.182241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006291   0.052722  -0.144470
+    0SOL     H2    2   0.026183   0.038990  -0.051852
+    0SOL     H3    3  -0.083220   0.020431  -0.154834
+    1SOL     O4    4  -0.004215  -0.045023   0.136797
+    1SOL     H5    5   0.064419  -0.033995   0.202602
+    1SOL     H6    6  -0.021613  -0.139143   0.135807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120833   0.049672   0.069712
+    0SOL     H2    2  -0.117946   0.116866   0.001603
+    0SOL     H3    3  -0.193079  -0.007571   0.043905
+    1SOL     O4    4   0.125267  -0.055855  -0.068492
+    1SOL     H5    5   0.155860   0.033742  -0.082590
+    1SOL     H6    6   0.078858  -0.052485   0.015157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089257   0.078667  -0.096186
+    0SOL     H2    2  -0.069318  -0.009112  -0.128738
+    0SOL     H3    3  -0.135857   0.063743  -0.013918
+    1SOL     O4    4   0.083999  -0.074249   0.092501
+    1SOL     H5    5   0.157744  -0.122056   0.130426
+    1SOL     H6    6   0.121685   0.008740   0.063262
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116966   0.088869  -0.041516
+    0SOL     H2    2  -0.050526   0.021641  -0.026405
+    0SOL     H3    3  -0.179950   0.047522  -0.100556
+    1SOL     O4    4   0.114125  -0.087178   0.041198
+    1SOL     H5    5   0.185993  -0.028983   0.016485
+    1SOL     H6    6   0.085656  -0.055146   0.126789
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100681   0.033907   0.113912
+    0SOL     H2    2  -0.123562   0.028924   0.021101
+    0SOL     H3    3  -0.017690  -0.013298   0.120737
+    1SOL     O4    4   0.096020  -0.035055  -0.104254
+    1SOL     H5    5   0.076545   0.058158  -0.113971
+    1SOL     H6    6   0.141220  -0.058699  -0.185248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050095   0.141175  -0.048606
+    0SOL     H2    2   0.005981   0.128647  -0.125162
+    0SOL     H3    3  -0.056471   0.054246  -0.009045
+    1SOL     O4    4   0.045848  -0.130642   0.046549
+    1SOL     H5    5   0.126595  -0.181353   0.054954
+    1SOL     H6    6  -0.008449  -0.159652   0.119847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000192  -0.117518   0.090205
+    0SOL     H2    2  -0.034503  -0.160725   0.012156
+    0SOL     H3    3   0.050103  -0.185691   0.135190
+    1SOL     O4    4   0.000204   0.125827  -0.094968
+    1SOL     H5    5  -0.070276   0.157538  -0.038493
+    1SOL     H6    6   0.047164   0.062043  -0.041221
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064104   0.079714   0.120090
+    0SOL     H2    2   0.051482   0.163576   0.075704
+    0SOL     H3    3   0.038183   0.014152   0.055344
+    1SOL     O4    4  -0.061814  -0.080109  -0.106415
+    1SOL     H5    5  -0.135044  -0.092341  -0.166830
+    1SOL     H6    6   0.014765  -0.070844  -0.163090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041195  -0.023985  -0.152281
+    0SOL     H2    2   0.046879  -0.060600  -0.160320
+    0SOL     H3    3  -0.054730  -0.014503  -0.057998
+    1SOL     O4    4   0.039667   0.023304   0.141080
+    1SOL     H5    5   0.077417   0.046822   0.225839
+    1SOL     H6    6  -0.053910   0.040971   0.150752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033773  -0.076653  -0.132464
+    0SOL     H2    2  -0.057060  -0.059879  -0.107360
+    0SOL     H3    3   0.060781  -0.150015  -0.077228
+    1SOL     O4    4  -0.033369   0.080122   0.131157
+    1SOL     H5    5   0.023519   0.006122   0.109943
+    1SOL     H6    6  -0.007055   0.148918   0.070026
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049094   0.139963   0.052145
+    0SOL     H2    2  -0.047559   0.055854   0.097815
+    0SOL     H3    3  -0.140802   0.152306   0.027660
+    1SOL     O4    4   0.047819  -0.135659  -0.054680
+    1SOL     H5    5   0.100893  -0.213464  -0.037598
+    1SOL     H6    6   0.109541  -0.062735  -0.048780
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.130165  -0.077837   0.035022
+    0SOL     H2    2   0.200183  -0.020679   0.003514
+    0SOL     H3    3   0.172761  -0.162368   0.049242
+    1SOL     O4    4  -0.133225   0.084954  -0.035808
+    1SOL     H5    5  -0.208252   0.039972  -0.074665
+    1SOL     H6    6  -0.103191   0.026099   0.033448
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024370   0.135876   0.093298
+    0SOL     H2    2   0.056202   0.131383   0.144778
+    0SOL     H3    3  -0.015064   0.066459   0.028052
+    1SOL     O4    4   0.016530  -0.126820  -0.094807
+    1SOL     H5    5   0.108690  -0.148212  -0.109340
+    1SOL     H6    6  -0.015427  -0.196255  -0.037189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079124  -0.097060  -0.107805
+    0SOL     H2    2  -0.012998  -0.121365  -0.117027
+    0SOL     H3    3   0.106256  -0.136780  -0.025049
+    1SOL     O4    4  -0.070410   0.097591   0.101263
+    1SOL     H5    5  -0.142280   0.130289   0.047153
+    1SOL     H6    6  -0.096267   0.118889   0.190930
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146511   0.067313   0.055684
+    0SOL     H2    2  -0.082719   0.128217   0.018487
+    0SOL     H3    3  -0.111193  -0.019440   0.035967
+    1SOL     O4    4   0.135292  -0.066583  -0.048286
+    1SOL     H5    5   0.204482  -0.001326  -0.037491
+    1SOL     H6    6   0.155806  -0.109821  -0.131184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019494  -0.056024  -0.155647
+    0SOL     H2    2   0.112196  -0.049341  -0.178537
+    0SOL     H3    3  -0.002247   0.029426  -0.118392
+    1SOL     O4    4  -0.029405   0.053737   0.156307
+    1SOL     H5    5  -0.022947  -0.036632   0.125420
+    1SOL     H6    6   0.061276   0.084008   0.161074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099028   0.136527  -0.053744
+    0SOL     H2    2  -0.130001   0.157799   0.034293
+    0SOL     H3    3  -0.062108   0.048590  -0.045601
+    1SOL     O4    4   0.091357  -0.133335   0.047213
+    1SOL     H5    5   0.140336  -0.153795   0.126867
+    1SOL     H6    6   0.157840  -0.103455  -0.014831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148061  -0.079293   0.050227
+    0SOL     H2    2   0.055004  -0.057330   0.054751
+    0SOL     H3    3   0.149749  -0.174210   0.037978
+    1SOL     O4    4  -0.140043   0.083926  -0.044780
+    1SOL     H5    5  -0.177194   0.004860  -0.083904
+    1SOL     H6    6  -0.161175   0.153637  -0.106879
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140627  -0.082951   0.044565
+    0SOL     H2    2  -0.097272  -0.130394   0.115501
+    0SOL     H3    3  -0.233230  -0.105347   0.053802
+    1SOL     O4    4   0.149320   0.084537  -0.043824
+    1SOL     H5    5   0.057085   0.059734  -0.050145
+    1SOL     H6    6   0.162608   0.146107  -0.115899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.142173  -0.090815   0.043910
+    0SOL     H2    2   0.185733  -0.008980   0.020077
+    0SOL     H3    3   0.181799  -0.115655   0.127427
+    1SOL     O4    4  -0.149284   0.088323  -0.055065
+    1SOL     H5    5  -0.106080   0.017733  -0.006974
+    1SOL     H6    6  -0.155767   0.159938   0.008113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.163836  -0.054551  -0.020732
+    0SOL     H2    2   0.167356  -0.146304   0.006312
+    0SOL     H3    3   0.194057  -0.055125  -0.111554
+    1SOL     O4    4  -0.172697   0.058024   0.023580
+    1SOL     H5    5  -0.101743   0.001141   0.053449
+    1SOL     H6    6  -0.130688   0.142602   0.007955
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064460  -0.163180  -0.037290
+    0SOL     H2    2   0.024437  -0.195328  -0.022249
+    0SOL     H3    3  -0.064617  -0.134951  -0.128753
+    1SOL     O4    4   0.062918   0.160420   0.044782
+    1SOL     H5    5  -0.032752   0.159307   0.041906
+    1SOL     H6    6   0.088189   0.224329  -0.021846
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.145628   0.074865  -0.062317
+    0SOL     H2    2  -0.209628   0.036729  -0.122417
+    0SOL     H3    3  -0.195151   0.091964   0.017792
+    1SOL     O4    4   0.152543  -0.078306   0.066480
+    1SOL     H5    5   0.219584  -0.016715   0.036912
+    1SOL     H6    6   0.077091  -0.060414   0.010363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060790  -0.071002   0.153291
+    0SOL     H2    2   0.132835  -0.133062   0.142315
+    0SOL     H3    3   0.100766   0.014865   0.139467
+    1SOL     O4    4  -0.073223   0.072698  -0.153362
+    1SOL     H5    5  -0.013368   0.096723  -0.082634
+    1SOL     H6    6  -0.028362   0.002037  -0.199804
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.178599  -0.005217   0.035902
+    0SOL     H2    2   0.100087  -0.021252  -0.016453
+    0SOL     H3    3   0.240556  -0.072401   0.007444
+    1SOL     O4    4  -0.173812   0.012855  -0.036343
+    1SOL     H5    5  -0.215514   0.056449   0.037972
+    1SOL     H6    6  -0.190820  -0.080270  -0.022169
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102860   0.025617  -0.141240
+    0SOL     H2    2   0.113224   0.075178  -0.222472
+    0SOL     H3    3   0.191534  -0.002679  -0.118912
+    1SOL     O4    4  -0.113334  -0.028942   0.147135
+    1SOL     H5    5  -0.067310  -0.064236   0.070987
+    1SOL     H6    6  -0.060536   0.046086   0.174438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.170412   0.054082   0.048189
+    0SOL     H2    2   0.097384   0.053331   0.110065
+    0SOL     H3    3   0.216471  -0.028242   0.064425
+    1SOL     O4    4  -0.170267  -0.044098  -0.049981
+    1SOL     H5    5  -0.211912  -0.127935  -0.029994
+    1SOL     H6    6  -0.103689  -0.065362  -0.115384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.147893   0.089529  -0.053366
+    0SOL     H2    2   0.230275   0.120171  -0.091268
+    0SOL     H3    3   0.173551   0.018862   0.005881
+    1SOL     O4    4  -0.151979  -0.092708   0.050752
+    1SOL     H5    5  -0.113274  -0.007386   0.031143
+    1SOL     H6    6  -0.234798  -0.072100   0.094095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.136681  -0.069293   0.103770
+    0SOL     H2    2   0.144854  -0.162932   0.121858
+    0SOL     H3    3   0.066945  -0.039559   0.162209
+    1SOL     O4    4  -0.136758   0.069824  -0.113723
+    1SOL     H5    5  -0.177374   0.095121  -0.030821
+    1SOL     H6    6  -0.043146   0.084350  -0.100001
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.160257  -0.107133   0.020911
+    0SOL     H2    2   0.152616  -0.086419  -0.072229
+    0SOL     H3    3   0.070476  -0.103036   0.053850
+    1SOL     O4    4  -0.154062   0.105284  -0.023434
+    1SOL     H5    5  -0.235754   0.126290   0.021815
+    1SOL     H6    6  -0.090212   0.092939   0.046802
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091593   0.128417   0.119677
+    0SOL     H2    2   0.038221   0.066419   0.169376
+    0SOL     H3    3   0.084029   0.099171   0.028849
+    1SOL     O4    4  -0.089197  -0.125150  -0.111665
+    1SOL     H5    5  -0.008344  -0.137268  -0.161446
+    1SOL     H6    6  -0.145479  -0.073641  -0.169471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131424   0.072872   0.130403
+    0SOL     H2    2   0.081233  -0.007379   0.144651
+    0SOL     H3    3   0.079913   0.141301   0.173140
+    1SOL     O4    4  -0.124699  -0.079386  -0.132935
+    1SOL     H5    5  -0.202858  -0.027203  -0.114761
+    1SOL     H6    6  -0.059940  -0.015810  -0.163378
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028355   0.173683   0.097746
+    0SOL     H2    2   0.043716   0.133875   0.146566
+    0SOL     H3    3   0.012661   0.244149   0.047600
+    1SOL     O4    4   0.027607  -0.177607  -0.096411
+    1SOL     H5    5   0.006049  -0.112536  -0.163219
+    1SOL     H6    6  -0.056290  -0.198575  -0.055376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.155098   0.085164  -0.114747
+    0SOL     H2    2   0.216909   0.014189  -0.097307
+    0SOL     H3    3   0.078470   0.063884  -0.061477
+    1SOL     O4    4  -0.147816  -0.079885   0.110199
+    1SOL     H5    5  -0.199543  -0.067777   0.189823
+    1SOL     H6    6  -0.212639  -0.096582   0.041777
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128608   0.084937  -0.148490
+    0SOL     H2    2  -0.035671   0.064204  -0.158242
+    0SOL     H3    3  -0.156205   0.035676  -0.071198
+    1SOL     O4    4   0.118655  -0.080876   0.143805
+    1SOL     H5    5   0.172439  -0.152168   0.178256
+    1SOL     H6    6   0.181274  -0.011644   0.122635
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088332   0.182419   0.036071
+    0SOL     H2    2   0.031175   0.230357   0.096049
+    0SOL     H3    3   0.163111   0.156376   0.089850
+    1SOL     O4    4  -0.094815  -0.187226  -0.041978
+    1SOL     H5    5  -0.030446  -0.191519   0.028737
+    1SOL     H6    6  -0.060605  -0.120574  -0.101556
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.193074   0.028834   0.089858
+    0SOL     H2    2   0.227048  -0.041479   0.034504
+    0SOL     H3    3   0.115819   0.060844   0.043282
+    1SOL     O4    4  -0.191573  -0.032214  -0.080756
+    1SOL     H5    5  -0.109184   0.012488  -0.100147
+    1SOL     H6    6  -0.258632   0.021932  -0.122392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139047   0.118497  -0.103532
+    0SOL     H2    2   0.199125   0.156523  -0.167618
+    0SOL     H3    3   0.193721   0.100666  -0.027013
+    1SOL     O4    4  -0.142613  -0.123027   0.107451
+    1SOL     H5    5  -0.232492  -0.090115   0.108352
+    1SOL     H6    6  -0.109148  -0.099074   0.021030
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.168717  -0.134632   0.037241
+    0SOL     H2    2   0.236830  -0.075618   0.069494
+    0SOL     H3    3   0.093789  -0.077630   0.019956
+    1SOL     O4    4  -0.171348   0.123553  -0.042510
+    1SOL     H5    5  -0.190730   0.141387   0.049515
+    1SOL     H6    6  -0.100663   0.184287  -0.064355
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.188289  -0.039092  -0.106423
+    0SOL     H2    2   0.134666  -0.079142  -0.174854
+    0SOL     H3    3   0.198368  -0.107796  -0.040541
+    1SOL     O4    4  -0.186200   0.045950   0.113666
+    1SOL     H5    5  -0.251682  -0.006215   0.067262
+    1SOL     H6    6  -0.120186   0.066113   0.047349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096292  -0.203834   0.033881
+    0SOL     H2    2  -0.097026  -0.129376   0.094030
+    0SOL     H3    3  -0.102665  -0.164457  -0.053132
+    1SOL     O4    4   0.093991   0.193586  -0.025972
+    1SOL     H5    5   0.121827   0.152195  -0.107668
+    1SOL     H6    6   0.109255   0.287034  -0.039997
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038015  -0.201307   0.096603
+    0SOL     H2    2  -0.089792  -0.254546   0.036211
+    0SOL     H3    3  -0.012719  -0.124560   0.045296
+    1SOL     O4    4   0.038988   0.199217  -0.083204
+    1SOL     H5    5   0.096191   0.150982  -0.142899
+    1SOL     H6    6  -0.007581   0.261155  -0.139395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.176410  -0.137754  -0.055179
+    0SOL     H2    2   0.102326  -0.082788  -0.080726
+    0SOL     H3    3   0.206167  -0.100800   0.027955
+    1SOL     O4    4  -0.171496   0.135297   0.046116
+    1SOL     H5    5  -0.171470   0.167100   0.136398
+    1SOL     H6    6  -0.214556   0.049935   0.050753
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001719  -0.014582  -0.225543
+    0SOL     H2    2   0.072723   0.006944  -0.281734
+    0SOL     H3    3   0.036771  -0.028555  -0.139023
+    1SOL     O4    4  -0.003766   0.019521   0.224436
+    1SOL     H5    5  -0.087941  -0.025910   0.228056
+    1SOL     H6    6   0.060910  -0.050466   0.215434
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137948   0.011960  -0.185887
+    0SOL     H2    2   0.064468  -0.042778  -0.158195
+    0SOL     H3    3   0.119818   0.097719  -0.147429
+    1SOL     O4    4  -0.136388  -0.009909   0.186894
+    1SOL     H5    5  -0.074313  -0.080108   0.206416
+    1SOL     H6    6  -0.137909  -0.005112   0.091307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070326   0.103744  -0.184650
+    0SOL     H2    2  -0.088750   0.153657  -0.264222
+    0SOL     H3    3  -0.120903   0.147859  -0.116399
+    1SOL     O4    4   0.072662  -0.102455   0.183847
+    1SOL     H5    5   0.144583  -0.158196   0.154137
+    1SOL     H6    6   0.020804  -0.158776   0.241302
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110328  -0.041816  -0.186592
+    0SOL     H2    2  -0.171879  -0.100493  -0.230533
+    0SOL     H3    3  -0.060592  -0.001538  -0.257770
+    1SOL     O4    4   0.110229   0.040419   0.188490
+    1SOL     H5    5   0.136781  -0.000050   0.271071
+    1SOL     H6    6   0.105345   0.133982   0.208094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086824   0.161791   0.135262
+    0SOL     H2    2  -0.167111   0.125872   0.097498
+    0SOL     H3    3  -0.062908   0.233729   0.076822
+    1SOL     O4    4   0.094717  -0.164890  -0.134122
+    1SOL     H5    5   0.065367  -0.078099  -0.106403
+    1SOL     H6    6   0.032952  -0.225371  -0.093020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075365   0.172694  -0.133046
+    0SOL     H2    2  -0.134345   0.207823  -0.199752
+    0SOL     H3    3  -0.132765   0.125507  -0.072706
+    1SOL     O4    4   0.086836  -0.170329   0.137074
+    1SOL     H5    5   0.063786  -0.257019   0.103667
+    1SOL     H6    6   0.014009  -0.114207   0.110449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105199   0.109135  -0.192653
+    0SOL     H2    2   0.187959   0.061521  -0.185873
+    0SOL     H3    3   0.051433   0.055617  -0.251025
+    1SOL     O4    4  -0.111490  -0.102400   0.190256
+    1SOL     H5    5  -0.129746  -0.145477   0.273763
+    1SOL     H6    6  -0.017105  -0.086526   0.191570
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.103850   0.055147   0.219602
+    0SOL     H2    2   0.173790   0.120470   0.221501
+    0SOL     H3    3   0.037452   0.092752   0.161815
+    1SOL     O4    4  -0.102292  -0.056439  -0.220984
+    1SOL     H5    5  -0.045511  -0.114966  -0.170856
+    1SOL     H6    6  -0.190784  -0.077553  -0.191226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.225567  -0.114622   0.028479
+    0SOL     H2    2  -0.151744  -0.075107   0.074857
+    0SOL     H3    3  -0.221114  -0.077605  -0.059681
+    1SOL     O4    4   0.215973   0.109608  -0.022422
+    1SOL     H5    5   0.276618   0.041302  -0.051034
+    1SOL     H6    6   0.255254   0.191155  -0.053557
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.243179   0.041607   0.044608
+    0SOL     H2    2   0.305499  -0.014478   0.090793
+    0SOL     H3    3   0.168120   0.047811   0.103684
+    1SOL     O4    4  -0.246461  -0.043460  -0.046995
+    1SOL     H5    5  -0.162307  -0.056761  -0.090625
+    1SOL     H6    6  -0.266763   0.048924  -0.061669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106490   0.073482   0.215819
+    0SOL     H2    2   0.085554   0.143932   0.277144
+    0SOL     H3    3   0.076608   0.105939   0.130872
+    1SOL     O4    4  -0.109174  -0.077935  -0.210549
+    1SOL     H5    5  -0.064655  -0.010853  -0.262322
+    1SOL     H6    6  -0.060376  -0.158328  -0.228384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.145739  -0.009172   0.206069
+    0SOL     H2    2   0.163541   0.055595   0.137873
+    0SOL     H3    3   0.204151  -0.082201   0.185644
+    1SOL     O4    4  -0.156717   0.012870  -0.200589
+    1SOL     H5    5  -0.133029  -0.079494  -0.192216
+    1SOL     H6    6  -0.074952   0.056547  -0.224443
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149732  -0.188519   0.084806
+    0SOL     H2    2   0.111279  -0.101106   0.078269
+    0SOL     H3    3   0.236450  -0.173826   0.122575
+    1SOL     O4    4  -0.153680   0.182931  -0.079926
+    1SOL     H5    5  -0.179611   0.112943  -0.139856
+    1SOL     H6    6  -0.109132   0.246857  -0.135525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054840   0.066109  -0.237505
+    0SOL     H2    2  -0.121703   0.003115  -0.210609
+    0SOL     H3    3  -0.103547   0.134915  -0.282844
+    1SOL     O4    4   0.062231  -0.060281   0.238446
+    1SOL     H5    5   0.088065  -0.120015   0.168255
+    1SOL     H6    6   0.029709  -0.117530   0.307924
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065734   0.208853  -0.132439
+    0SOL     H2    2   0.119253   0.282838  -0.161151
+    0SOL     H3    3  -0.019188   0.222998  -0.174277
+    1SOL     O4    4  -0.064947  -0.219435   0.137311
+    1SOL     H5    5  -0.020334  -0.160408   0.198038
+    1SOL     H6    6  -0.082956  -0.165514   0.060301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.216025   0.125967   0.097834
+    0SOL     H2    2   0.167511   0.182431   0.037664
+    0SOL     H3    3   0.258224   0.061283   0.041287
+    1SOL     O4    4  -0.211708  -0.130159  -0.093612
+    1SOL     H5    5  -0.228904  -0.112210  -0.001176
+    1SOL     H6    6  -0.264519  -0.065760  -0.140793
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026423   0.130983  -0.226672
+    0SOL     H2    2   0.022425   0.206491  -0.193888
+    0SOL     H3    3  -0.103900   0.168757  -0.268299
+    1SOL     O4    4   0.028809  -0.132115   0.223620
+    1SOL     H5    5   0.018664  -0.224747   0.201741
+    1SOL     H6    6   0.027940  -0.129823   0.319309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058781   0.250081  -0.076266
+    0SOL     H2    2  -0.035879   0.287149  -0.161494
+    0SOL     H3    3  -0.016675   0.308045  -0.012788
+    1SOL     O4    4   0.055950  -0.260465   0.073933
+    1SOL     H5    5   0.021671  -0.174797   0.048472
+    1SOL     H6    6   0.074735  -0.251982   0.167407
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139655   0.171368   0.184089
+    0SOL     H2    2   0.065891   0.160552   0.244125
+    0SOL     H3    3   0.148385   0.086233   0.141214
+    1SOL     O4    4  -0.131220  -0.167336  -0.188389
+    1SOL     H5    5  -0.141095  -0.185116  -0.094855
+    1SOL     H6    6  -0.216782  -0.134227  -0.215689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058877   0.020166  -0.289852
+    0SOL     H2    2  -0.005098  -0.001556  -0.222046
+    0SOL     H3    3   0.021445   0.095952  -0.334770
+    1SOL     O4    4  -0.060144  -0.025464   0.290113
+    1SOL     H5    5   0.018334  -0.076299   0.269637
+    1SOL     H6    6  -0.030269   0.065470   0.291044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.281843  -0.140582  -0.035341
+    0SOL     H2    2   0.246396  -0.060543   0.003383
+    0SOL     H3    3   0.362323  -0.157361   0.013687
+    1SOL     O4    4  -0.288878   0.133772   0.026884
+    1SOL     H5    5  -0.199867   0.152052  -0.003200
+    1SOL     H6    6  -0.292756   0.171573   0.114739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056614   0.130661   0.281930
+    0SOL     H2    2   0.110526   0.196792   0.238541
+    0SOL     H3    3   0.037780   0.167820   0.368109
+    1SOL     O4    4  -0.059175  -0.133727  -0.280752
+    1SOL     H5    5  -0.119866  -0.154398  -0.351827
+    1SOL     H6    6   0.019138  -0.185161  -0.300345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020788  -0.117002   0.319518
+    0SOL     H2    2   0.039187  -0.182090   0.387248
+    0SOL     H3    3   0.102983  -0.108799   0.271156
+    1SOL     O4    4  -0.032361   0.118274  -0.321372
+    1SOL     H5    5  -0.007046   0.178557  -0.251462
+    1SOL     H6    6   0.049902   0.096381  -0.365142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010529  -0.141853   0.318455
+    0SOL     H2    2  -0.032847  -0.096794   0.237006
+    0SOL     H3    3  -0.058093  -0.093851   0.386247
+    1SOL     O4    4   0.018120   0.134556  -0.323657
+    1SOL     H5    5   0.049753   0.187904  -0.250748
+    1SOL     H6    6  -0.075061   0.122114  -0.305631
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078192   0.210339  -0.277485
+    0SOL     H2    2   0.116538   0.215517  -0.189934
+    0SOL     H3    3  -0.013934   0.232964  -0.264711
+    1SOL     O4    4  -0.070067  -0.212242   0.274549
+    1SOL     H5    5  -0.149052  -0.166229   0.302948
+    1SOL     H6    6  -0.093629  -0.250431   0.189999
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.207498   0.276746   0.160683
+    0SOL     H2    2  -0.274677   0.305174   0.222660
+    0SOL     H3    3  -0.238899   0.192318   0.128308
+    1SOL     O4    4   0.210358  -0.276268  -0.157356
+    1SOL     H5    5   0.289334  -0.304843  -0.203276
+    1SOL     H6    6   0.186284  -0.193989  -0.199935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074174   0.057216   0.389114
+    0SOL     H2    2   0.125074  -0.004396   0.441796
+    0SOL     H3    3   0.081968   0.140590   0.435486
+    1SOL     O4    4  -0.075322  -0.054273  -0.391744
+    1SOL     H5    5  -0.040079  -0.092036  -0.472331
+    1SOL     H6    6  -0.159817  -0.097653  -0.379863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050332   0.091016   0.092865
+    0SOL     H2    2   0.083417   0.134182   0.014097
+    0SOL     H3    3  -0.009392   0.023774   0.060093
+    1SOL     O4    4  -0.046031  -0.091658  -0.081029
+    1SOL     H5    5  -0.009084  -0.040216  -0.152800
+    1SOL     H6    6  -0.136353  -0.108707  -0.107741
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.114816  -0.079989  -0.021652
+    0SOL     H2    2   0.122179   0.011878  -0.047507
+    0SOL     H3    3   0.023895  -0.089745   0.006639
+    1SOL     O4    4  -0.105508   0.074176   0.025429
+    1SOL     H5    5  -0.114170   0.150014  -0.032329
+    1SOL     H6    6  -0.181544   0.019707   0.005084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004359  -0.125684  -0.026351
+    0SOL     H2    2  -0.062560  -0.149228  -0.098605
+    0SOL     H3    3   0.038954  -0.207707  -0.002719
+    1SOL     O4    4   0.004510   0.134173   0.023601
+    1SOL     H5    5  -0.024062   0.174720   0.105467
+    1SOL     H6    6   0.045138   0.051791   0.050524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118816   0.056219  -0.045569
+    0SOL     H2    2  -0.132610   0.007720  -0.126932
+    0SOL     H3    3  -0.026160   0.080182  -0.047329
+    1SOL     O4    4   0.118081  -0.058037   0.044316
+    1SOL     H5    5   0.136106   0.025907   0.086634
+    1SOL     H6    6   0.042721  -0.093139   0.091761
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076055  -0.108746  -0.044610
+    0SOL     H2    2  -0.006452  -0.157106  -0.089097
+    0SOL     H3    3  -0.074479  -0.021926  -0.084886
+    1SOL     O4    4   0.077139   0.109996   0.045950
+    1SOL     H5    5   0.067543   0.016304   0.063041
+    1SOL     H6    6  -0.001008   0.149559   0.084552
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039607  -0.062967   0.108995
+    0SOL     H2    2   0.025938  -0.153287   0.080399
+    0SOL     H3    3   0.087834  -0.070889   0.191298
+    1SOL     O4    4  -0.042427   0.074633  -0.113992
+    1SOL     H5    5  -0.056013  -0.007506  -0.161225
+    1SOL     H6    6  -0.012635   0.047707  -0.027103
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079913  -0.083143  -0.085663
+    0SOL     H2    2   0.019147  -0.027285  -0.037189
+    0SOL     H3    3   0.028328  -0.160422  -0.108667
+    1SOL     O4    4  -0.075801   0.078835   0.081178
+    1SOL     H5    5  -0.013924   0.080393   0.154193
+    1SOL     H6    6  -0.088873   0.170987   0.058829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016637   0.078198  -0.111438
+    0SOL     H2    2   0.080674   0.007334  -0.117760
+    0SOL     H3    3   0.062377   0.155000  -0.145668
+    1SOL     O4    4  -0.027418  -0.083963   0.112566
+    1SOL     H5    5   0.027625  -0.069053   0.189444
+    1SOL     H6    6  -0.011663  -0.007886   0.056652
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128431  -0.022410   0.034187
+    0SOL     H2    2   0.165341  -0.110432   0.026973
+    0SOL     H3    3   0.171003   0.015226   0.111216
+    1SOL     O4    4  -0.138682   0.023348  -0.034734
+    1SOL     H5    5  -0.136301   0.049959  -0.126649
+    1SOL     H6    6  -0.047593   0.028740  -0.005821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.147030  -0.008853   0.000703
+    0SOL     H2    2   0.097745   0.047912   0.059958
+    0SOL     H3    3   0.080864  -0.065832  -0.038512
+    1SOL     O4    4  -0.140060   0.006481   0.003841
+    1SOL     H5    5  -0.154050  -0.037094  -0.080230
+    1SOL     H6    6  -0.139026   0.099813  -0.017382
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044496  -0.125587   0.067467
+    0SOL     H2    2  -0.107456  -0.065167   0.028125
+    0SOL     H3    3   0.040849  -0.093992   0.037798
+    1SOL     O4    4   0.040389   0.125252  -0.060223
+    1SOL     H5    5   0.005763   0.081675  -0.138098
+    1SOL     H6    6   0.122388   0.079519  -0.041594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070261   0.016699  -0.127208
+    0SOL     H2    2  -0.101888   0.106887  -0.132514
+    0SOL     H3    3  -0.033195   0.009401  -0.039258
+    1SOL     O4    4   0.066747  -0.019042   0.117274
+    1SOL     H5    5   0.142733  -0.077246   0.118159
+    1SOL     H6    6   0.048169  -0.002422   0.209691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020639   0.133436  -0.053030
+    0SOL     H2    2   0.050503   0.205117   0.002936
+    0SOL     H3    3   0.009947   0.059306   0.006574
+    1SOL     O4    4  -0.022683  -0.128326   0.048657
+    1SOL     H5    5   0.061878  -0.163637   0.021001
+    1SOL     H6    6  -0.084840  -0.199235   0.032204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130330   0.047564  -0.016486
+    0SOL     H2    2  -0.138640   0.129780  -0.064795
+    0SOL     H3    3  -0.147978   0.071328   0.074543
+    1SOL     O4    4   0.135308  -0.059545   0.011621
+    1SOL     H5    5   0.174236   0.023015   0.040446
+    1SOL     H6    6   0.040998  -0.046220   0.021129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115352   0.070557  -0.060188
+    0SOL     H2    2  -0.186532   0.006563  -0.059615
+    0SOL     H3    3  -0.037532   0.020108  -0.036496
+    1SOL     O4    4   0.110193  -0.059602   0.057803
+    1SOL     H5    5   0.184764  -0.073177  -0.000654
+    1SOL     H6    6   0.130906  -0.111439   0.135561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.144099   0.019701  -0.007427
+    0SOL     H2    2  -0.134580   0.058500   0.079558
+    0SOL     H3    3  -0.114797   0.088154  -0.067575
+    1SOL     O4    4   0.147803  -0.023644   0.004380
+    1SOL     H5    5   0.069610   0.023771   0.032663
+    1SOL     H6    6   0.122417  -0.115880   0.007608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020103  -0.135114   0.053294
+    0SOL     H2    2  -0.072751  -0.141267   0.030872
+    0SOL     H3    3   0.065832  -0.150885  -0.029304
+    1SOL     O4    4  -0.023518   0.136873  -0.050597
+    1SOL     H5    5  -0.002447   0.082287   0.025158
+    1SOL     H6    6   0.057899   0.183258  -0.070141
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066474  -0.104611   0.068857
+    0SOL     H2    2   0.141583  -0.138204   0.117769
+    0SOL     H3    3  -0.004406  -0.101174   0.133095
+    1SOL     O4    4  -0.070518   0.104981  -0.079338
+    1SOL     H5    5  -0.053255   0.193602  -0.047547
+    1SOL     H6    6  -0.003280   0.051036  -0.037728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047711   0.128789  -0.046210
+    0SOL     H2    2   0.063988   0.057411  -0.107874
+    0SOL     H3    3   0.118951   0.190766  -0.061892
+    1SOL     O4    4  -0.053733  -0.130818   0.045985
+    1SOL     H5    5  -0.097368  -0.050245   0.073666
+    1SOL     H6    6   0.008818  -0.149502   0.115989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.107093   0.073924  -0.079377
+    0SOL     H2    2   0.176196   0.007718  -0.081361
+    0SOL     H3    3   0.026092   0.023795  -0.069989
+    1SOL     O4    4  -0.104378  -0.067270   0.072143
+    1SOL     H5    5  -0.093574  -0.138824   0.134797
+    1SOL     H6    6  -0.151587   0.000307   0.120795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012086   0.142530   0.006011
+    0SOL     H2    2  -0.088356   0.161450  -0.048644
+    0SOL     H3    3   0.026998   0.228208   0.023160
+    1SOL     O4    4   0.009823  -0.151815   0.000119
+    1SOL     H5    5   0.084347  -0.179848  -0.053010
+    1SOL     H6    6   0.002282  -0.057900  -0.016775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035890   0.073659   0.132221
+    0SOL     H2    2   0.094697   0.051385   0.060055
+    0SOL     H3    3  -0.048982   0.088181   0.090410
+    1SOL     O4    4  -0.032355  -0.068012  -0.123843
+    1SOL     H5    5  -0.108326  -0.114633  -0.088955
+    1SOL     H6    6   0.000805  -0.124814  -0.193386
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112447   0.025406  -0.097824
+    0SOL     H2    2   0.059776   0.029081  -0.017983
+    0SOL     H3    3   0.177352   0.094919  -0.086977
+    1SOL     O4    4  -0.109015  -0.030856   0.096925
+    1SOL     H5    5  -0.196601   0.007037   0.104355
+    1SOL     H6    6  -0.103533  -0.061028   0.006251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047826   0.080044  -0.116817
+    0SOL     H2    2   0.010112   0.097919  -0.030675
+    0SOL     H3    3   0.035499   0.161378  -0.165758
+    1SOL     O4    4  -0.045114  -0.081695   0.109801
+    1SOL     H5    5   0.023880  -0.142643   0.136023
+    1SOL     H6    6  -0.113538  -0.093083   0.175762
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024005   0.045666   0.133701
+    0SOL     H2    2   0.078407   0.117837   0.165230
+    0SOL     H3    3  -0.021290   0.013862   0.211798
+    1SOL     O4    4  -0.030177  -0.052539  -0.140405
+    1SOL     H5    5   0.030022  -0.029594  -0.211200
+    1SOL     H6    6   0.000791  -0.002000  -0.065244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047463   0.134255   0.056138
+    0SOL     H2    2  -0.000372   0.052529   0.042175
+    0SOL     H3    3  -0.019936   0.202187   0.053947
+    1SOL     O4    4  -0.040185  -0.126992  -0.054319
+    1SOL     H5    5   0.000972  -0.203436  -0.014010
+    1SOL     H6    6  -0.108344  -0.163419  -0.110796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.089242   0.114044  -0.007057
+    0SOL     H2    2   0.151941   0.099149  -0.077833
+    0SOL     H3    3   0.123307   0.190426   0.039502
+    1SOL     O4    4  -0.096061  -0.124490   0.007883
+    1SOL     H5    5  -0.164014  -0.060548   0.029242
+    1SOL     H6    6  -0.015715  -0.072866   0.001410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052770   0.079722  -0.133778
+    0SOL     H2    2   0.118229   0.010191  -0.127225
+    0SOL     H3    3  -0.025746   0.042638  -0.093501
+    1SOL     O4    4  -0.046995  -0.070395   0.132115
+    1SOL     H5    5  -0.046056  -0.166047   0.128644
+    1SOL     H6    6  -0.139558  -0.047034   0.125142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128539   0.078601   0.072215
+    0SOL     H2    2  -0.059275   0.090010   0.137290
+    0SOL     H3    3  -0.081959   0.065943  -0.010444
+    1SOL     O4    4   0.121754  -0.075428  -0.066358
+    1SOL     H5    5   0.110665  -0.170102  -0.075093
+    1SOL     H6    6   0.126970  -0.043465  -0.156433
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063769  -0.010796  -0.157459
+    0SOL     H2    2  -0.129168   0.046076  -0.116828
+    0SOL     H3    3   0.018007   0.010847  -0.112665
+    1SOL     O4    4   0.059951   0.004706   0.157215
+    1SOL     H5    5   0.149555   0.038022   0.152368
+    1SOL     H6    6   0.031697  -0.001527   0.065973
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021471  -0.097294  -0.132326
+    0SOL     H2    2  -0.041758  -0.169088  -0.135472
+    0SOL     H3    3  -0.031942  -0.018030  -0.137482
+    1SOL     O4    4  -0.022339   0.097578   0.131964
+    1SOL     H5    5   0.037375   0.033399   0.093524
+    1SOL     H6    6   0.033639   0.152705   0.186643
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034090  -0.096931  -0.134361
+    0SOL     H2    2   0.019468  -0.011849  -0.093013
+    0SOL     H3    3   0.121846  -0.122610  -0.106046
+    1SOL     O4    4  -0.037215   0.092363   0.124257
+    1SOL     H5    5  -0.033985   0.176169   0.170392
+    1SOL     H6    6  -0.065292   0.029452   0.190712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104152   0.082596   0.103141
+    0SOL     H2    2   0.039022   0.115399   0.041138
+    0SOL     H3    3   0.126752   0.158652   0.156687
+    1SOL     O4    4  -0.104490  -0.084498  -0.107861
+    1SOL     H5    5  -0.145766  -0.114910  -0.027030
+    1SOL     H6    6  -0.018373  -0.126285  -0.108028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022087  -0.013697   0.172337
+    0SOL     H2    2  -0.024735  -0.105289   0.200020
+    0SOL     H3    3   0.050608  -0.009497   0.110207
+    1SOL     O4    4   0.023818   0.020405  -0.167885
+    1SOL     H5    5   0.008030  -0.064768  -0.208610
+    1SOL     H6    6  -0.060347   0.065651  -0.173478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037502  -0.166712  -0.032702
+    0SOL     H2    2   0.007652  -0.246871   0.010260
+    0SOL     H3    3   0.021600  -0.097649   0.031638
+    1SOL     O4    4  -0.028502   0.167370   0.027639
+    1SOL     H5    5  -0.100093   0.199412   0.082505
+    1SOL     H6    6  -0.071924   0.129797  -0.048945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103652  -0.062358  -0.115503
+    0SOL     H2    2  -0.062935  -0.061773  -0.202129
+    0SOL     H3    3  -0.189492  -0.102296  -0.129603
+    1SOL     O4    4   0.112144   0.068334   0.120830
+    1SOL     H5    5   0.104082  -0.026684   0.129134
+    1SOL     H6    6   0.021886   0.099651   0.114917
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055113  -0.114556   0.108136
+    0SOL     H2    2   0.008371  -0.198076   0.106767
+    0SOL     H3    3   0.118866  -0.123892   0.178922
+    1SOL     O4    4  -0.062048   0.117485  -0.114280
+    1SOL     H5    5   0.001020   0.081065  -0.052163
+    1SOL     H6    6  -0.023103   0.200339  -0.142223
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134406   0.106672   0.046807
+    0SOL     H2    2  -0.087463   0.130652  -0.033091
+    0SOL     H3    3  -0.076235   0.133713   0.117851
+    1SOL     O4    4   0.127852  -0.103713  -0.049611
+    1SOL     H5    5   0.173801  -0.121722   0.032406
+    1SOL     H6    6   0.096934  -0.189366  -0.079105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064157   0.045550   0.160008
+    0SOL     H2    2   0.021144  -0.030961   0.121819
+    0SOL     H3    3   0.143693   0.010742   0.200315
+    1SOL     O4    4  -0.061578  -0.041744  -0.161603
+    1SOL     H5    5  -0.114868  -0.049968  -0.082515
+    1SOL     H6    6  -0.107762   0.022853  -0.215051
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.136571  -0.085254  -0.071562
+    0SOL     H2    2   0.132788  -0.080454  -0.167086
+    0SOL     H3    3   0.221096  -0.046463  -0.048912
+    1SOL     O4    4  -0.138156   0.087347   0.079210
+    1SOL     H5    5  -0.101226   0.036812   0.006790
+    1SOL     H6    6  -0.227794   0.054902   0.087860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108160   0.115665  -0.076829
+    0SOL     H2    2   0.107463   0.199651  -0.030915
+    0SOL     H3    3   0.200541   0.090802  -0.079978
+    1SOL     O4    4  -0.116583  -0.124182   0.072104
+    1SOL     H5    5  -0.030462  -0.118659   0.113515
+    1SOL     H6    6  -0.147218  -0.033578   0.068258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149437   0.090083  -0.058519
+    0SOL     H2    2   0.129089   0.163213  -0.116831
+    0SOL     H3    3   0.065927   0.044800  -0.046774
+    1SOL     O4    4  -0.143571  -0.090199   0.067327
+    1SOL     H5    5  -0.157872  -0.031617  -0.007009
+    1SOL     H6    6  -0.117430  -0.173317   0.027699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137061   0.032767   0.120090
+    0SOL     H2    2  -0.135932  -0.041239   0.059392
+    0SOL     H3    3  -0.087479   0.002248   0.196068
+    1SOL     O4    4   0.128875  -0.024058  -0.117680
+    1SOL     H5    5   0.131335  -0.092474  -0.184580
+    1SOL     H6    6   0.217115   0.013036  -0.118033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140462  -0.016000  -0.120983
+    0SOL     H2    2  -0.225093  -0.012988  -0.076366
+    0SOL     H3    3  -0.076648   0.005179  -0.052855
+    1SOL     O4    4   0.137118   0.019278   0.111130
+    1SOL     H5    5   0.123601  -0.014747   0.199572
+    1SOL     H6    6   0.220290  -0.018961   0.083157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061002  -0.112761   0.127963
+    0SOL     H2    2   0.125495  -0.153453   0.070108
+    0SOL     H3    3   0.008422  -0.185847   0.160461
+    1SOL     O4    4  -0.057681   0.119597  -0.132046
+    1SOL     H5    5  -0.042705   0.083637  -0.044611
+    1SOL     H6    6  -0.144316   0.159971  -0.126874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102590  -0.114470   0.096890
+    0SOL     H2    2   0.074131  -0.180911   0.159643
+    0SOL     H3    3   0.167149  -0.062409   0.144682
+    1SOL     O4    4  -0.109236   0.115745  -0.107789
+    1SOL     H5    5  -0.125381   0.132612  -0.014960
+    1SOL     H6    6  -0.016454   0.092628  -0.112198
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059878  -0.164932   0.053451
+    0SOL     H2    2   0.140135  -0.194311   0.096555
+    0SOL     H3    3  -0.010186  -0.189513   0.113859
+    1SOL     O4    4  -0.057035   0.167769  -0.052730
+    1SOL     H5    5  -0.069073   0.093531  -0.111943
+    1SOL     H6    6  -0.092573   0.242655  -0.100599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000431  -0.126796  -0.141800
+    0SOL     H2    2   0.039339  -0.101324  -0.058135
+    0SOL     H3    3   0.069102  -0.109953  -0.206320
+    1SOL     O4    4  -0.006584   0.118215   0.139815
+    1SOL     H5    5  -0.041430   0.195609   0.095563
+    1SOL     H6    6   0.055126   0.153097   0.204138
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.186936  -0.030880  -0.040440
+    0SOL     H2    2  -0.162816  -0.099173  -0.103022
+    0SOL     H3    3  -0.103883   0.010409  -0.016781
+    1SOL     O4    4   0.181923   0.026282   0.042784
+    1SOL     H5    5   0.175907   0.090454   0.113551
+    1SOL     H6    6   0.173478   0.078016  -0.037307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039635  -0.151012  -0.099335
+    0SOL     H2    2  -0.047285  -0.078921  -0.161838
+    0SOL     H3    3  -0.080841  -0.225378  -0.143312
+    1SOL     O4    4   0.043240   0.155091   0.110264
+    1SOL     H5    5  -0.038536   0.142773   0.062064
+    1SOL     H6    6   0.103586   0.091530   0.071784
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128166  -0.135895   0.037010
+    0SOL     H2    2   0.194227  -0.069633   0.057197
+    0SOL     H3    3   0.076157  -0.143095   0.117044
+    1SOL     O4    4  -0.135101   0.131503  -0.042047
+    1SOL     H5    5  -0.076611   0.204728  -0.022571
+    1SOL     H6    6  -0.078956   0.066536  -0.084349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.189334  -0.009491  -0.048698
+    0SOL     H2    2  -0.170993  -0.044947   0.038301
+    0SOL     H3    3  -0.154832  -0.075195  -0.109154
+    1SOL     O4    4   0.190632   0.011014   0.046728
+    1SOL     H5    5   0.141041   0.037820   0.124087
+    1SOL     H6    6   0.157261   0.066664  -0.023642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070118  -0.098708  -0.150664
+    0SOL     H2    2   0.046937  -0.175316  -0.203163
+    0SOL     H3    3   0.139890  -0.129482  -0.092809
+    1SOL     O4    4  -0.072964   0.099482   0.155024
+    1SOL     H5    5   0.000731   0.158369   0.138785
+    1SOL     H6    6  -0.138853   0.125138   0.090505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073562   0.110811   0.140518
+    0SOL     H2    2  -0.077651   0.115805   0.236020
+    0SOL     H3    3  -0.165085   0.111745   0.112498
+    1SOL     O4    4   0.082072  -0.110356  -0.149494
+    1SOL     H5    5   0.082811  -0.053290  -0.072648
+    1SOL     H6    6   0.023022  -0.181845  -0.125731
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110497   0.163563   0.028329
+    0SOL     H2    2  -0.137621   0.183166   0.118008
+    0SOL     H3    3  -0.146324   0.076528   0.010903
+    1SOL     O4    4   0.117624  -0.162306  -0.037264
+    1SOL     H5    5   0.066734  -0.207656   0.029937
+    1SOL     H6    6   0.104803  -0.069340  -0.018420
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056956   0.078586  -0.181061
+    0SOL     H2    2   0.143362   0.059568  -0.144528
+    0SOL     H3    3  -0.004576   0.045716  -0.115519
+    1SOL     O4    4  -0.058953  -0.071237   0.170567
+    1SOL     H5    5  -0.122117  -0.126159   0.217003
+    1SOL     H6    6   0.025836  -0.095422   0.207826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069435   0.094279  -0.168949
+    0SOL     H2    2   0.028133   0.023916  -0.219003
+    0SOL     H3    3   0.119837   0.049163  -0.101224
+    1SOL     O4    4  -0.064418  -0.089432   0.171958
+    1SOL     H5    5  -0.067114  -0.072280   0.077826
+    1SOL     H6    6  -0.156178  -0.088367   0.199184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101744  -0.075673   0.171104
+    0SOL     H2    2  -0.139167  -0.143191   0.114509
+    0SOL     H3    3  -0.076609  -0.005371   0.111202
+    1SOL     O4    4   0.101072   0.069603  -0.166452
+    1SOL     H5    5   0.085641   0.149424  -0.216978
+    1SOL     H6    6   0.144606   0.099721  -0.086702
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.206964  -0.018391  -0.015906
+    0SOL     H2    2   0.280925  -0.019839  -0.076652
+    0SOL     H3    3   0.139194   0.031253  -0.061786
+    1SOL     O4    4  -0.201125   0.016149   0.020857
+    1SOL     H5    5  -0.255348  -0.061494   0.006939
+    1SOL     H6    6  -0.261466   0.081553   0.056124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027959  -0.140342   0.150068
+    0SOL     H2    2   0.025694  -0.157426   0.072662
+    0SOL     H3    3  -0.071481  -0.223694   0.167974
+    1SOL     O4    4   0.029606   0.148454  -0.152500
+    1SOL     H5    5   0.030907   0.189129  -0.065862
+    1SOL     H6    6  -0.012002   0.063401  -0.138459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.206629   0.028149   0.017371
+    0SOL     H2    2   0.170591  -0.059335   0.031862
+    0SOL     H3    3   0.299753   0.019416   0.037716
+    1SOL     O4    4  -0.210439  -0.024403  -0.012729
+    1SOL     H5    5  -0.133320   0.014512  -0.053968
+    1SOL     H6    6  -0.269459  -0.043675  -0.085582
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017116  -0.072367  -0.207041
+    0SOL     H2    2   0.043641  -0.058918  -0.134308
+    0SOL     H3    3  -0.091629  -0.015779  -0.186844
+    1SOL     O4    4   0.015533   0.067128   0.194581
+    1SOL     H5    5  -0.035700   0.063110   0.275335
+    1SOL     H6    6   0.103837   0.090346   0.223313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.195965  -0.059968  -0.039980
+    0SOL     H2    2  -0.276544  -0.015777  -0.013213
+    0SOL     H3    3  -0.216614  -0.097843  -0.125428
+    1SOL     O4    4   0.199894   0.059833   0.036323
+    1SOL     H5    5   0.160306   0.003293   0.102642
+    1SOL     H6    6   0.266129   0.109924   0.083927
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.162052   0.047414   0.133414
+    0SOL     H2    2   0.212550   0.096091   0.198550
+    0SOL     H3    3   0.089659   0.009071   0.182924
+    1SOL     O4    4  -0.157150  -0.042778  -0.138323
+    1SOL     H5    5  -0.140709  -0.107660  -0.206752
+    1SOL     H6    6  -0.239454  -0.070601  -0.098147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026642  -0.153375  -0.151866
+    0SOL     H2    2   0.101915  -0.126886  -0.099001
+    0SOL     H3    3   0.037348  -0.247812  -0.163243
+    1SOL     O4    4  -0.028922   0.159409   0.155169
+    1SOL     H5    5  -0.053070   0.214538   0.080738
+    1SOL     H6    6  -0.052763   0.070747   0.128096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118960  -0.143545   0.128327
+    0SOL     H2    2   0.103009  -0.190228   0.046300
+    0SOL     H3    3   0.051014  -0.076185   0.131209
+    1SOL     O4    4  -0.107560   0.140909  -0.127221
+    1SOL     H5    5  -0.119857   0.172832  -0.037823
+    1SOL     H6    6  -0.196349   0.126948  -0.160144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.214741   0.042131  -0.002186
+    0SOL     H2    2   0.271621   0.076436   0.066735
+    0SOL     H3    3   0.204382  -0.050596   0.019186
+    1SOL     O4    4  -0.211673  -0.041208  -0.004226
+    1SOL     H5    5  -0.297145  -0.075245  -0.030652
+    1SOL     H6    6  -0.231502   0.023584   0.063384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119915   0.155922   0.106066
+    0SOL     H2    2  -0.036467   0.202810   0.106567
+    0SOL     H3    3  -0.102384   0.075213   0.154450
+    1SOL     O4    4   0.112268  -0.152984  -0.101985
+    1SOL     H5    5   0.192153  -0.121098  -0.143986
+    1SOL     H6    6   0.069136  -0.205627  -0.169295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.223020  -0.003029   0.049350
+    0SOL     H2    2  -0.141681   0.036807   0.080322
+    0SOL     H3    3  -0.216410   0.000012  -0.046093
+    1SOL     O4    4   0.211947   0.002443  -0.040528
+    1SOL     H5    5   0.296458   0.046137  -0.051067
+    1SOL     H6    6   0.215181  -0.071135  -0.101667
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.200793  -0.016723  -0.092179
+    0SOL     H2    2  -0.214933   0.077493  -0.101446
+    0SOL     H3    3  -0.256113  -0.056046  -0.159674
+    1SOL     O4    4   0.208558   0.014969   0.093744
+    1SOL     H5    5   0.182763   0.056301   0.176136
+    1SOL     H6    6   0.150552  -0.060746   0.085686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009130   0.233149  -0.020492
+    0SOL     H2    2  -0.014724   0.170165   0.047526
+    0SOL     H3    3  -0.025024   0.195145  -0.101433
+    1SOL     O4    4   0.000906  -0.226222   0.025079
+    1SOL     H5    5  -0.037034  -0.178044  -0.048417
+    1SOL     H6    6  -0.065146  -0.291789   0.047452
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061923   0.200768  -0.089469
+    0SOL     H2    2  -0.071562   0.256382  -0.012161
+    0SOL     H3    3  -0.092949   0.254946  -0.162026
+    1SOL     O4    4   0.063931  -0.207766   0.095884
+    1SOL     H5    5   0.019707  -0.144706   0.039052
+    1SOL     H6    6   0.114898  -0.262385   0.036039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.219694  -0.040130   0.095764
+    0SOL     H2    2   0.131150  -0.071950   0.078167
+    0SOL     H3    3   0.250705  -0.007511   0.011285
+    1SOL     O4    4  -0.214832   0.035296  -0.094556
+    1SOL     H5    5  -0.158477   0.102611  -0.056410
+    1SOL     H6    6  -0.301615   0.053351  -0.058429
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.213621  -0.024521   0.111172
+    0SOL     H2    2  -0.147692   0.025627   0.063205
+    0SOL     H3    3  -0.188612  -0.015277   0.203103
+    1SOL     O4    4   0.212763   0.024083  -0.112950
+    1SOL     H5    5   0.120669   0.050147  -0.114225
+    1SOL     H6    6   0.210926  -0.071054  -0.123336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018485   0.055786  -0.241171
+    0SOL     H2    2   0.031320   0.063953  -0.159838
+    0SOL     H3    3  -0.109166   0.044350  -0.212737
+    1SOL     O4    4   0.021673  -0.057489   0.227278
+    1SOL     H5    5  -0.030652  -0.102193   0.293806
+    1SOL     H6    6   0.062082   0.015780   0.273765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.162210  -0.056505   0.192198
+    0SOL     H2    2   0.134839   0.013671   0.133135
+    0SOL     H3    3   0.175051  -0.013202   0.276591
+    1SOL     O4    4  -0.161971   0.046294  -0.189216
+    1SOL     H5    5  -0.085697   0.064230  -0.244197
+    1SOL     H6    6  -0.227430   0.110192  -0.217401
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083597   0.248098   0.016652
+    0SOL     H2    2  -0.132101   0.267423   0.096878
+    0SOL     H3    3  -0.140943   0.189282  -0.032485
+    1SOL     O4    4   0.087952  -0.252536  -0.017062
+    1SOL     H5    5   0.086836  -0.178022   0.043012
+    1SOL     H6    6   0.115674  -0.215419  -0.100824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031831   0.128954  -0.245332
+    0SOL     H2    2   0.009765   0.086878  -0.162235
+    0SOL     H3    3  -0.028744   0.202797  -0.251672
+    1SOL     O4    4  -0.027557  -0.130576   0.247295
+    1SOL     H5    5  -0.051874  -0.063135   0.183871
+    1SOL     H6    6   0.007201  -0.202149   0.194082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085306   0.227202  -0.152757
+    0SOL     H2    2   0.138129   0.306823  -0.158468
+    0SOL     H3    3   0.083866   0.206000  -0.059426
+    1SOL     O4    4  -0.088486  -0.227231   0.142412
+    1SOL     H5    5  -0.116764  -0.197056   0.228737
+    1SOL     H6    6  -0.059179  -0.317203   0.156852
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.212218  -0.180439  -0.096223
+    0SOL     H2    2   0.131440  -0.135170  -0.071974
+    0SOL     H3    3   0.187097  -0.236823  -0.169381
+    1SOL     O4    4  -0.200550   0.177624   0.099670
+    1SOL     H5    5  -0.245331   0.230280   0.165884
+    1SOL     H6    6  -0.254813   0.186392   0.021306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.162762  -0.191554   0.163890
+    0SOL     H2    2   0.216797  -0.167535   0.088619
+    0SOL     H3    3   0.112381  -0.112551   0.183451
+    1SOL     O4    4  -0.159565   0.190569  -0.158658
+    1SOL     H5    5  -0.213160   0.196325  -0.237758
+    1SOL     H6    6  -0.177549   0.103261  -0.123785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089455  -0.029567   0.281028
+    0SOL     H2    2  -0.057852  -0.043670   0.370273
+    0SOL     H3    3  -0.043240  -0.094964   0.228589
+    1SOL     O4    4   0.084710   0.033270  -0.289745
+    1SOL     H5    5   0.020836   0.019926  -0.219715
+    1SOL     H6    6   0.165561   0.056931  -0.244296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.276465  -0.137180   0.013205
+    0SOL     H2    2  -0.283002  -0.051438   0.055252
+    0SOL     H3    3  -0.190331  -0.170037   0.038964
+    1SOL     O4    4   0.270233   0.140478  -0.017066
+    1SOL     H5    5   0.340407   0.101198  -0.068978
+    1SOL     H6    6   0.235837   0.068179   0.035395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001324   0.110395   0.282645
+    0SOL     H2    2  -0.078258   0.131752   0.335441
+    0SOL     H3    3   0.035862   0.195356   0.258954
+    1SOL     O4    4   0.000621  -0.120512  -0.289557
+    1SOL     H5    5  -0.019517  -0.036118  -0.249129
+    1SOL     H6    6   0.078851  -0.151064  -0.243634
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082618  -0.097853  -0.296649
+    0SOL     H2    2  -0.068303  -0.179547  -0.248863
+    0SOL     H3    3  -0.139995  -0.122267  -0.369272
+    1SOL     O4    4   0.079288   0.100356   0.298764
+    1SOL     H5    5   0.162459   0.072944   0.260118
+    1SOL     H6    6   0.093650   0.191420   0.324520
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.276698  -0.186547  -0.096395
+    0SOL     H2    2   0.276563  -0.219798  -0.186155
+    0SOL     H3    3   0.268594  -0.091650  -0.105944
+    1SOL     O4    4  -0.275874   0.189579   0.101032
+    1SOL     H5    5  -0.277317   0.139322   0.182485
+    1SOL     H6    6  -0.281248   0.123515   0.031974
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041667   0.371804   0.012065
+    0SOL     H2    2   0.096326   0.441485   0.048386
+    0SOL     H3    3  -0.046689   0.392152   0.042748
+    1SOL     O4    4  -0.038092  -0.383317  -0.013729
+    1SOL     H5    5  -0.027236  -0.342802  -0.099770
+    1SOL     H6    6  -0.074898  -0.313940   0.040993
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114538   0.188113   0.340970
+    0SOL     H2    2  -0.089116   0.236753   0.262547
+    0SOL     H3    3  -0.101488   0.096236   0.317508
+    1SOL     O4    4   0.114605  -0.188136  -0.338801
+    1SOL     H5    5   0.135245  -0.101376  -0.304029
+    1SOL     H6    6   0.041989  -0.219046  -0.284637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.366874   0.237131  -0.014541
+    0SOL     H2    2   0.396399   0.211800  -0.101999
+    0SOL     H3    3   0.382874   0.159782   0.039529
+    1SOL     O4    4  -0.366288  -0.229569   0.022689
+    1SOL     H5    5  -0.421235  -0.171108  -0.029518
+    1SOL     H6    6  -0.366466  -0.312191  -0.025642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.086487  -0.089979   0.445221
+    0SOL     H2    2   0.074942   0.004922   0.449993
+    0SOL     H3    3   0.142918  -0.103491   0.369094
+    1SOL     O4    4  -0.094939   0.085957  -0.438509
+    1SOL     H5    5  -0.050780   0.001040  -0.439681
+    1SOL     H6    6  -0.032154   0.146210  -0.478382
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/000/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002107   0.000543   0.095695
+    0SOL     H3    3  -0.080836   0.044158  -0.026036
+    1SOL     O4    4  -0.015917  -0.245317  -0.128249
+    1SOL     H5    5  -0.095676  -0.292740  -0.104760
+    1SOL     H6    6  -0.027467  -0.158416  -0.089817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/001/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001106  -0.006528  -0.095491
+    0SOL     H3    3   0.076690  -0.049774   0.028347
+    1SOL     O4    4   0.200208  -0.148198   0.106595
+    1SOL     H5    5   0.186082  -0.156903   0.200866
+    1SOL     H6    6   0.278462  -0.093601   0.098994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/002/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072766   0.053771  -0.031242
+    0SOL     H3    3   0.014301  -0.007243   0.094368
+    1SOL     O4    4   0.016813  -0.011508   0.277880
+    1SOL     H5    5   0.085340   0.043507   0.315823
+    1SOL     H6    6   0.013170  -0.088173   0.335077
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/003/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077734   0.045648  -0.032186
+    0SOL     H3    3  -0.008903  -0.089182  -0.033610
+    1SOL     O4    4  -0.204994   0.123105  -0.103192
+    1SOL     H5    5  -0.283258   0.084581  -0.063785
+    1SOL     H6    6  -0.209215   0.215709  -0.079339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/004/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014608  -0.004794  -0.094477
+    0SOL     H3    3  -0.088507  -0.034290   0.012370
+    1SOL     O4    4   0.219595  -0.126735   0.136775
+    1SOL     H5    5   0.137254  -0.083142   0.114823
+    1SOL     H6    6   0.286745  -0.074956   0.092366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/005/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014547  -0.089307  -0.031224
+    0SOL     H3    3   0.009708  -0.005926   0.095042
+    1SOL     O4    4  -0.209062   0.130242  -0.092486
+    1SOL     H5    5  -0.133752   0.083157  -0.056799
+    1SOL     H6    6  -0.182772   0.153606  -0.181510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/006/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006004   0.000954   0.095527
+    0SOL     H3    3  -0.006598  -0.092754  -0.022706
+    1SOL     O4    4  -0.010257  -0.250409  -0.115074
+    1SOL     H5    5  -0.009163  -0.260007  -0.210305
+    1SOL     H6    6  -0.064303  -0.323147  -0.084242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/007/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070722  -0.041912  -0.049032
+    0SOL     H3    3   0.078285  -0.049828  -0.023472
+    1SOL     O4    4   0.223198  -0.112686  -0.106515
+    1SOL     H5    5   0.214902  -0.200614  -0.069608
+    1SOL     H6    6   0.294883  -0.072666  -0.057301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/008/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075648   0.020781   0.054844
+    0SOL     H3    3   0.072664   0.047473   0.040355
+    1SOL     O4    4   0.223485   0.126885   0.116587
+    1SOL     H5    5   0.298400   0.091004   0.069020
+    1SOL     H6    6   0.217585   0.217743   0.087053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/009/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007947   0.088725  -0.035030
+    0SOL     H3    3  -0.079961  -0.044277  -0.028429
+    1SOL     O4    4  -0.225855  -0.130814  -0.108718
+    1SOL     H5    5  -0.213799  -0.137837  -0.203416
+    1SOL     H6    6  -0.308520  -0.083654  -0.098482
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/010/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018042  -0.001876   0.093985
+    0SOL     H3    3   0.030739  -0.084801  -0.032036
+    1SOL     O4    4  -0.251686   0.106264  -0.101654
+    1SOL     H5    5  -0.247820   0.200563  -0.085687
+    1SOL     H6    6  -0.166990   0.073339  -0.071572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/011/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087616  -0.028814  -0.025602
+    0SOL     H3    3   0.009578   0.086332  -0.040217
+    1SOL     O4    4  -0.216580  -0.113454  -0.083752
+    1SOL     H5    5  -0.292513  -0.063840  -0.053175
+    1SOL     H6    6  -0.227064  -0.200067  -0.044375
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/012/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066666   0.046376  -0.050667
+    0SOL     H3    3   0.083191   0.030387  -0.036308
+    1SOL     O4    4  -0.222266   0.137779  -0.080939
+    1SOL     H5    5  -0.306035   0.094305  -0.064971
+    1SOL     H6    6  -0.230812   0.222875  -0.037950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/013/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015037   0.094152  -0.008464
+    0SOL     H3    3  -0.081084  -0.040156  -0.031230
+    1SOL     O4    4   0.233825  -0.138120  -0.063143
+    1SOL     H5    5   0.156184  -0.088996  -0.036290
+    1SOL     H6    6   0.225254  -0.222590  -0.018944
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/014/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079774   0.035666  -0.039068
+    0SOL     H3    3   0.004684   0.025920   0.092025
+    1SOL     O4    4  -0.007704  -0.240916  -0.120627
+    1SOL     H5    5  -0.003760  -0.151400  -0.086957
+    1SOL     H6    6   0.057313  -0.288783  -0.069208
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/015/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076297  -0.038290   0.043301
+    0SOL     H3    3   0.008989   0.094201   0.014411
+    1SOL     O4    4  -0.235746  -0.081769   0.118771
+    1SOL     H5    5  -0.229484  -0.170100   0.082428
+    1SOL     H6    6  -0.154076  -0.039225   0.092650
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/016/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016476  -0.013398   0.093335
+    0SOL     H3    3   0.004498  -0.087738  -0.038001
+    1SOL     O4    4   0.048155  -0.264504  -0.073760
+    1SOL     H5    5   0.052250  -0.271952  -0.169102
+    1SOL     H6    6  -0.035770  -0.304038  -0.050183
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/017/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080204  -0.030947  -0.042094
+    0SOL     H3    3  -0.069967  -0.050122  -0.041890
+    1SOL     O4    4   0.203827  -0.147865  -0.098060
+    1SOL     H5    5   0.284198  -0.108298  -0.064336
+    1SOL     H6    6   0.206389  -0.238146  -0.066359
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/018/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004762  -0.027138   0.091669
+    0SOL     H3    3  -0.082726   0.047693  -0.006643
+    1SOL     O4    4   0.026836  -0.260816  -0.106787
+    1SOL     H5    5   0.017460  -0.166437  -0.093858
+    1SOL     H6    6  -0.055831  -0.297640  -0.075604
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/019/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083877  -0.024761   0.038907
+    0SOL     H3    3   0.009438  -0.021183  -0.092868
+    1SOL     O4    4   0.229571  -0.080661   0.132873
+    1SOL     H5    5   0.229231  -0.077545   0.228542
+    1SOL     H6    6   0.311952  -0.038869   0.107793
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/020/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079952  -0.029488   0.043595
+    0SOL     H3    3   0.008416   0.092018   0.024984
+    1SOL     O4    4  -0.013556   0.015149  -0.257786
+    1SOL     H5    5   0.002635   0.019329  -0.163539
+    1SOL     H6    6   0.060927  -0.033734  -0.292788
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/021/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026951   0.007554   0.091536
+    0SOL     H3    3   0.000263   0.090052  -0.032449
+    1SOL     O4    4  -0.236161  -0.159255  -0.111106
+    1SOL     H5    5  -0.148512  -0.121944  -0.101737
+    1SOL     H6    6  -0.226994  -0.249804  -0.081456
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/022/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087398  -0.023364  -0.031273
+    0SOL     H3    3   0.013128   0.089829  -0.030345
+    1SOL     O4    4  -0.223608  -0.114694  -0.101068
+    1SOL     H5    5  -0.263845  -0.198929  -0.079909
+    1SOL     H6    6  -0.251194  -0.096827  -0.190968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/023/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005585  -0.026018  -0.091947
+    0SOL     H3    3   0.087511   0.032550   0.021088
+    1SOL     O4    4   0.233750   0.091048   0.085384
+    1SOL     H5    5   0.242107   0.083340   0.180426
+    1SOL     H6    6   0.320558   0.068754   0.051773
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/024/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081671  -0.029574  -0.040218
+    0SOL     H3    3   0.068512  -0.030959  -0.059245
+    1SOL     O4    4   0.215166  -0.099979  -0.137375
+    1SOL     H5    5   0.239772  -0.100850  -0.229874
+    1SOL     H6    6   0.206963  -0.192401  -0.113852
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/025/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005232   0.000782   0.095574
+    0SOL     H3    3  -0.076153   0.054319  -0.020311
+    1SOL     O4    4  -0.201052   0.124727  -0.094041
+    1SOL     H5    5  -0.267870   0.080758  -0.041464
+    1SOL     H6    6  -0.198902   0.214223  -0.060157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/026/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064047  -0.061666  -0.035462
+    0SOL     H3    3   0.006057  -0.011026   0.094890
+    1SOL     O4    4  -0.012783   0.266335  -0.092817
+    1SOL     H5    5  -0.018980   0.178515  -0.055247
+    1SOL     H6    6   0.068202   0.302274  -0.056594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/027/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001059   0.035104  -0.089044
+    0SOL     H3    3  -0.012629   0.076513   0.056112
+    1SOL     O4    4  -0.225062  -0.145717   0.124221
+    1SOL     H5    5  -0.221592  -0.227589   0.074750
+    1SOL     H6    6  -0.155243  -0.092040   0.086720
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/028/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073299  -0.039927   0.046856
+    0SOL     H3    3   0.077968  -0.036704   0.041667
+    1SOL     O4    4   0.241021  -0.055912   0.119052
+    1SOL     H5    5   0.253938  -0.049060   0.213648
+    1SOL     H6    6   0.313730  -0.006442   0.081256
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/029/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071726  -0.053030  -0.034721
+    0SOL     H3    3   0.076818  -0.027989  -0.049779
+    1SOL     O4    4   0.224470  -0.062915  -0.107363
+    1SOL     H5    5   0.242285  -0.076858  -0.200372
+    1SOL     H6    6   0.305579  -0.025736  -0.072703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/030/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082574   0.030182  -0.037854
+    0SOL     H3    3   0.021242  -0.079440  -0.048993
+    1SOL     O4    4   0.210366   0.139409  -0.072454
+    1SOL     H5    5   0.217886   0.228587  -0.038498
+    1SOL     H6    6   0.126721   0.107724  -0.038369
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/031/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076630   0.044751  -0.035882
+    0SOL     H3    3  -0.000278  -0.085811  -0.042410
+    1SOL     O4    4  -0.041982  -0.225322  -0.135240
+    1SOL     H5    5  -0.066100  -0.221916  -0.227809
+    1SOL     H6    6  -0.117617  -0.265172  -0.092186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/032/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025190   0.011022  -0.091686
+    0SOL     H3    3  -0.077443  -0.037645   0.041807
+    1SOL     O4    4   0.007997   0.269547   0.085947
+    1SOL     H5    5   0.011626   0.183408   0.044362
+    1SOL     H6    6   0.092363   0.309756   0.065259
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/033/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031111   0.017543  -0.088807
+    0SOL     H3    3   0.023142  -0.091510   0.015897
+    1SOL     O4    4   0.022758  -0.271133   0.079142
+    1SOL     H5    5   0.032003  -0.287235   0.173044
+    1SOL     H6    6   0.098441  -0.314551   0.039782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/034/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081967   0.033533  -0.036322
+    0SOL     H3    3   0.068247   0.050790  -0.043876
+    1SOL     O4    4   0.025766  -0.245148  -0.109312
+    1SOL     H5    5   0.013167  -0.198186  -0.191763
+    1SOL     H6    6   0.034720  -0.176185  -0.043539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/035/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031357   0.008683   0.090020
+    0SOL     H3    3  -0.014479  -0.093927  -0.011414
+    1SOL     O4    4  -0.202083   0.387037   0.023038
+    1SOL     H5    5  -0.285349   0.425085  -0.004917
+    1SOL     H6    6  -0.135634   0.446452  -0.011843
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/036/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010059  -0.006993   0.094933
+    0SOL     H3    3   0.078175   0.046998  -0.029020
+    1SOL     O4    4   0.025219   0.010020   0.258059
+    1SOL     H5    5   0.042423  -0.070204   0.307359
+    1SOL     H6    6  -0.055950   0.044256   0.295499
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/037/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003705   0.005356   0.095498
+    0SOL     H3    3  -0.000983  -0.093860  -0.018753
+    1SOL     O4    4  -0.198401   0.169401  -0.106078
+    1SOL     H5    5  -0.277929   0.120774  -0.084331
+    1SOL     H6    6  -0.126920   0.110147  -0.082801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/038/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072628  -0.055342   0.028719
+    0SOL     H3    3   0.008560   0.079807   0.052153
+    1SOL     O4    4   0.047632   0.242168   0.138747
+    1SOL     H5    5  -0.020720   0.288860   0.090682
+    1SOL     H6    6   0.129505   0.272201   0.099286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/039/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013620  -0.004121   0.094656
+    0SOL     H3    3  -0.040756   0.082442  -0.026543
+    1SOL     O4    4   0.231345  -0.134799  -0.127357
+    1SOL     H5    5   0.160248  -0.094103  -0.077845
+    1SOL     H6    6   0.214835  -0.228811  -0.120190
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/040/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076148   0.047169  -0.033747
+    0SOL     H3    3   0.001321  -0.081947  -0.049450
+    1SOL     O4    4   0.010941  -0.001989   0.272529
+    1SOL     H5    5   0.009772  -0.009824   0.177137
+    1SOL     H6    6   0.023074  -0.091631   0.303824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/041/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003607  -0.012259  -0.094863
+    0SOL     H3    3  -0.083179  -0.035012   0.031903
+    1SOL     O4    4   0.006411   0.001046  -0.278899
+    1SOL     H5    5   0.097374  -0.010578  -0.306338
+    1SOL     H6    6  -0.017477   0.087934  -0.311182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/042/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009813   0.084149   0.044553
+    0SOL     H3    3   0.084942  -0.042830   0.010624
+    1SOL     O4    4   0.216213  -0.130295   0.122236
+    1SOL     H5    5   0.302873  -0.091058   0.111614
+    1SOL     H6    6   0.229775  -0.223464   0.104980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/043/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053818   0.062119   0.049063
+    0SOL     H3    3  -0.087728   0.009786   0.037019
+    1SOL     O4    4   0.004268   0.001165  -0.249734
+    1SOL     H5    5  -0.000471  -0.002425  -0.154199
+    1SOL     H6    6  -0.078188   0.041852  -0.276340
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/044/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010022   0.003082   0.095144
+    0SOL     H3    3   0.072025   0.060267  -0.018510
+    1SOL     O4    4  -0.209843   0.128625  -0.095692
+    1SOL     H5    5  -0.276539   0.064238  -0.071853
+    1SOL     H6    6  -0.129039   0.094927  -0.056994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/045/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005668  -0.015171   0.094340
+    0SOL     H3    3  -0.012294   0.094554  -0.008405
+    1SOL     O4    4   0.221521  -0.114585  -0.104622
+    1SOL     H5    5   0.218490  -0.202362  -0.066565
+    1SOL     H6    6   0.140642  -0.072799  -0.075045
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/046/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081109  -0.044451  -0.024652
+    0SOL     H3    3   0.069195  -0.051721  -0.041222
+    1SOL     O4    4  -0.025251   0.029431   0.281847
+    1SOL     H5    5  -0.014029   0.003004   0.190535
+    1SOL     H6    6  -0.015225   0.124617   0.280689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/047/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079911  -0.050989  -0.013293
+    0SOL     H3    3   0.070582  -0.058251  -0.028058
+    1SOL     O4    4  -0.213080  -0.135410  -0.039675
+    1SOL     H5    5  -0.238874  -0.149059  -0.130838
+    1SOL     H6    6  -0.291131  -0.099088   0.002170
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/048/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023829  -0.089445   0.024373
+    0SOL     H3    3  -0.078254   0.018941   0.051767
+    1SOL     O4    4   0.014076  -0.247345   0.139447
+    1SOL     H5    5   0.097698  -0.284415   0.111242
+    1SOL     H6    6   0.017822  -0.249676   0.235065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/049/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075129  -0.052341   0.027899
+    0SOL     H3    3   0.006896   0.080850   0.050775
+    1SOL     O4    4   0.019027   0.253018   0.074021
+    1SOL     H5    5  -0.054190   0.291686   0.025996
+    1SOL     H6    6   0.094381   0.307199   0.050597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/050/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005369   0.026273  -0.091887
+    0SOL     H3    3  -0.089629  -0.024188   0.023320
+    1SOL     O4    4   0.240616  -0.148430   0.073391
+    1SOL     H5    5   0.167120  -0.090114   0.054422
+    1SOL     H6    6   0.318154  -0.098329   0.048092
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/051/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081938  -0.030084   0.039287
+    0SOL     H3    3   0.009593   0.090189   0.030598
+    1SOL     O4    4   0.231394   0.378446  -0.025245
+    1SOL     H5    5   0.320681   0.356364   0.001259
+    1SOL     H6    6   0.214453   0.463242   0.015801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/052/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000630  -0.006452   0.095500
+    0SOL     H3    3  -0.084051   0.040837  -0.020740
+    1SOL     O4    4  -0.012632   0.039067   0.281350
+    1SOL     H5    5  -0.005030  -0.050661   0.313806
+    1SOL     H6    6  -0.099156   0.067863   0.310447
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/053/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001518  -0.010148   0.095169
+    0SOL     H3    3   0.062639  -0.065798  -0.030154
+    1SOL     O4    4  -0.023543   0.247079  -0.092755
+    1SOL     H5    5  -0.023527   0.159284  -0.054618
+    1SOL     H6    6   0.050124   0.291495  -0.050770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/054/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017844  -0.093644   0.008647
+    0SOL     H3    3   0.078117   0.014573   0.053363
+    1SOL     O4    4  -0.017351  -0.022722  -0.271071
+    1SOL     H5    5  -0.026879  -0.116426  -0.288136
+    1SOL     H6    6  -0.000688  -0.017036  -0.176985
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/055/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011214   0.022039   0.092471
+    0SOL     H3    3   0.075431   0.039784  -0.043472
+    1SOL     O4    4   0.007501  -0.253451  -0.113925
+    1SOL     H5    5  -0.079890  -0.292471  -0.112337
+    1SOL     H6    6  -0.002888  -0.169491  -0.069147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/056/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063480  -0.059065   0.040544
+    0SOL     H3    3  -0.011187   0.082879   0.046565
+    1SOL     O4    4   0.001706  -0.005339  -0.284092
+    1SOL     H5    5  -0.008297  -0.008011  -0.188933
+    1SOL     H6    6   0.017789   0.086907  -0.303951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/057/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075262  -0.040336  -0.043255
+    0SOL     H3    3   0.076080  -0.042217  -0.039899
+    1SOL     O4    4   0.182493  -0.160036  -0.125042
+    1SOL     H5    5   0.197243  -0.177567  -0.217980
+    1SOL     H6    6   0.183656  -0.246428  -0.083844
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/058/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015361  -0.080742   0.049061
+    0SOL     H3    3   0.069775   0.059021   0.028465
+    1SOL     O4    4   0.032602  -0.228716   0.140612
+    1SOL     H5    5   0.111810  -0.281878   0.132720
+    1SOL     H6    6   0.016233  -0.223876   0.234798
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/059/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010419  -0.090124   0.030520
+    0SOL     H3    3   0.077714   0.045473   0.032482
+    1SOL     O4    4   0.208273   0.128710   0.074074
+    1SOL     H5    5   0.280965   0.078329   0.037469
+    1SOL     H6    6   0.206632   0.209368   0.022558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/060/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006893  -0.018107  -0.093739
+    0SOL     H3    3  -0.067611  -0.054664   0.040037
+    1SOL     O4    4   0.246796  -0.100315   0.061475
+    1SOL     H5    5   0.172362  -0.050462   0.027762
+    1SOL     H6    6   0.323098  -0.061313   0.018823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/061/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008385   0.009530  -0.094875
+    0SOL     H3    3  -0.083991   0.030108   0.034660
+    1SOL     O4    4  -0.234025   0.111448   0.069502
+    1SOL     H5    5  -0.319119   0.084242   0.035133
+    1SOL     H6    6  -0.213768   0.192197   0.022263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/062/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022310   0.028831  -0.088506
+    0SOL     H3    3   0.081918   0.045273   0.020053
+    1SOL     O4    4   0.184899   0.367377  -0.023377
+    1SOL     H5    5   0.181566   0.359667  -0.118728
+    1SOL     H6    6   0.178111   0.277284   0.008237
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/063/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008781   0.017180  -0.093755
+    0SOL     H3    3  -0.000347  -0.095465   0.006976
+    1SOL     O4    4   0.052214  -0.001354  -0.274427
+    1SOL     H5    5  -0.029101   0.040807  -0.302225
+    1SOL     H6    6   0.121488   0.053574  -0.311119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/064/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001979  -0.021126  -0.093339
+    0SOL     H3    3   0.074893  -0.048900   0.034091
+    1SOL     O4    4  -0.224441  -0.089820   0.113830
+    1SOL     H5    5  -0.296023  -0.043809   0.069997
+    1SOL     H6    6  -0.145063  -0.054655   0.073521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/065/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010425  -0.005689   0.094980
+    0SOL     H3    3   0.080154   0.050847  -0.012343
+    1SOL     O4    4   0.241343   0.119527  -0.053460
+    1SOL     H5    5   0.255501   0.126892  -0.147840
+    1SOL     H6    6   0.325894   0.091219  -0.018646
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/066/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006179   0.017509  -0.093902
+    0SOL     H3    3   0.072258   0.055151   0.029992
+    1SOL     O4    4   0.201998   0.132678   0.119616
+    1SOL     H5    5   0.209914   0.142902   0.214458
+    1SOL     H6    6   0.265076   0.064158   0.097516
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/067/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015936  -0.003760   0.094309
+    0SOL     H3    3  -0.018778  -0.090526  -0.024794
+    1SOL     O4    4  -0.019945  -0.014257   0.257304
+    1SOL     H5    5  -0.089033   0.047963   0.280058
+    1SOL     H6    6  -0.046428  -0.096005   0.299474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/068/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068761  -0.052346  -0.041160
+    0SOL     H3    3   0.081703  -0.039308  -0.030690
+    1SOL     O4    4   0.223810  -0.143224  -0.086452
+    1SOL     H5    5   0.213649  -0.151379  -0.181281
+    1SOL     H6    6   0.221906  -0.233353  -0.054273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/069/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012102  -0.001185   0.094945
+    0SOL     H3    3  -0.085747   0.024442  -0.034819
+    1SOL     O4    4   0.205394   0.116994  -0.121148
+    1SOL     H5    5   0.129695   0.070898  -0.084994
+    1SOL     H6    6   0.209801   0.198633  -0.071368
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/070/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000086  -0.020460   0.093508
+    0SOL     H3    3   0.083757  -0.033530  -0.031981
+    1SOL     O4    4   0.235485  -0.112589  -0.113644
+    1SOL     H5    5   0.223805  -0.100978  -0.207937
+    1SOL     H6    6   0.319370  -0.070645  -0.094508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/071/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070186   0.060309  -0.024475
+    0SOL     H3    3   0.080315   0.044216  -0.027508
+    1SOL     O4    4   0.044395  -0.252904  -0.088080
+    1SOL     H5    5  -0.027167  -0.314174  -0.071136
+    1SOL     H6    6   0.008822  -0.167284  -0.064287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/072/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073280   0.036124   0.049874
+    0SOL     H3    3  -0.011285  -0.094859   0.006065
+    1SOL     O4    4  -0.031083  -0.261409   0.076122
+    1SOL     H5    5  -0.036457  -0.261186   0.171691
+    1SOL     H6    6  -0.102183  -0.319104   0.048222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/073/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087356   0.022347   0.032121
+    0SOL     H3    3  -0.006307   0.009201  -0.095068
+    1SOL     O4    4   0.017617  -0.277757   0.089039
+    1SOL     H5    5   0.026464  -0.259271   0.182539
+    1SOL     H6    6   0.022007  -0.191841   0.047068
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/074/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006994  -0.010649  -0.094868
+    0SOL     H3    3   0.094120   0.004893   0.016726
+    1SOL     O4    4   0.242238   0.081825   0.068050
+    1SOL     H5    5   0.328615   0.050566   0.041140
+    1SOL     H6    6   0.247381   0.087376   0.163471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/075/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007904   0.008175  -0.095042
+    0SOL     H3    3   0.028067  -0.089561   0.018800
+    1SOL     O4    4  -0.175510   0.109048  -0.344540
+    1SOL     H5    5  -0.186188   0.111300  -0.439636
+    1SOL     H6    6  -0.201586   0.196412  -0.315387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/076/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088836   0.022116   0.027954
+    0SOL     H3    3   0.056582   0.055260   0.053918
+    1SOL     O4    4  -0.003700  -0.289392   0.061536
+    1SOL     H5    5  -0.094333  -0.314556   0.043792
+    1SOL     H6    6  -0.000417  -0.195839   0.041553
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/077/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009197   0.011393  -0.094593
+    0SOL     H3    3  -0.017972   0.086656   0.036469
+    1SOL     O4    4   0.233909  -0.118419   0.085648
+    1SOL     H5    5   0.148557  -0.100867   0.046035
+    1SOL     H6    6   0.245966  -0.212866   0.075812
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/078/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074834  -0.058344   0.012576
+    0SOL     H3    3  -0.029649   0.084623   0.033501
+    1SOL     O4    4   0.016692   0.284480   0.074921
+    1SOL     H5    5   0.023625   0.284744   0.170389
+    1SOL     H6    6   0.103470   0.311040   0.044484
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/079/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001309  -0.003957  -0.095629
+    0SOL     H3    3  -0.071360   0.059688   0.022528
+    1SOL     O4    4  -0.001641  -0.012909  -0.294855
+    1SOL     H5    5  -0.002235  -0.089218  -0.352638
+    1SOL     H6    6   0.080552   0.031818  -0.315012
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/080/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006322   0.000825  -0.095507
+    0SOL     H3    3   0.087623  -0.024617   0.029639
+    1SOL     O4    4  -0.023259   0.271610   0.083513
+    1SOL     H5    5   0.012376   0.276913   0.172194
+    1SOL     H6    6   0.001355   0.184307   0.052939
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/081/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001847  -0.090812  -0.030201
+    0SOL     H3    3   0.083829   0.033998  -0.031293
+    1SOL     O4    4  -0.022670  -0.249516  -0.082182
+    1SOL     H5    5  -0.022770  -0.271531  -0.175336
+    1SOL     H6    6  -0.083320  -0.312139  -0.042658
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/082/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009354  -0.086536  -0.039829
+    0SOL     H3    3  -0.079454   0.036068  -0.039350
+    1SOL     O4    4  -0.006538  -0.289193  -0.084161
+    1SOL     H5    5  -0.063430  -0.340755  -0.027005
+    1SOL     H6    6   0.081950  -0.306891  -0.052239
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/083/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078688  -0.043913  -0.032283
+    0SOL     H3    3  -0.009363   0.090639  -0.029312
+    1SOL     O4    4  -0.228961  -0.137942  -0.056767
+    1SOL     H5    5  -0.233178  -0.108604  -0.147782
+    1SOL     H6    6  -0.311826  -0.109206  -0.018426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/084/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013183  -0.087159   0.037307
+    0SOL     H3    3   0.084142   0.028785   0.035409
+    1SOL     O4    4   0.244662   0.090817   0.078808
+    1SOL     H5    5   0.325168   0.044452   0.055757
+    1SOL     H6    6   0.261771   0.181926   0.054959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/085/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004124   0.020278   0.093456
+    0SOL     H3    3   0.081649  -0.046571  -0.018078
+    1SOL     O4    4  -0.034670   0.021443   0.268463
+    1SOL     H5    5  -0.110321  -0.027444   0.300856
+    1SOL     H6    6  -0.012445   0.081295   0.339780
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/086/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004543  -0.029433  -0.090969
+    0SOL     H3    3  -0.074331  -0.042557   0.042734
+    1SOL     O4    4   0.021199   0.264426   0.058365
+    1SOL     H5    5   0.026399   0.169904   0.044189
+    1SOL     H6    6   0.091000   0.300744   0.003857
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/087/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013536  -0.005769   0.094582
+    0SOL     H3    3   0.011498   0.093505  -0.016939
+    1SOL     O4    4   0.015949   0.002761   0.300436
+    1SOL     H5    5  -0.050076  -0.054609   0.339315
+    1SOL     H6    6   0.099586  -0.035022   0.327632
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/088/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005988   0.002054   0.095510
+    0SOL     H3    3   0.091964  -0.019643  -0.017863
+    1SOL     O4    4   0.002073  -0.030450   0.281799
+    1SOL     H5    5  -0.078149  -0.082562   0.285149
+    1SOL     H6    6  -0.016161   0.045276   0.337435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/089/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001434  -0.085233  -0.043538
+    0SOL     H3    3   0.079447   0.042273  -0.032611
+    1SOL     O4    4  -0.006819   0.028140   0.287961
+    1SOL     H5    5  -0.020840   0.021761   0.193489
+    1SOL     H6    6  -0.094356   0.041298   0.324380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/090/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005188  -0.013073   0.094681
+    0SOL     H3    3   0.060943   0.071657  -0.017708
+    1SOL     O4    4  -0.000307   0.018693   0.323024
+    1SOL     H5    5   0.030530  -0.062426   0.363410
+    1SOL     H6    6   0.068906   0.082305   0.341067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/091/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014962  -0.000862   0.094539
+    0SOL     H3    3   0.004779  -0.092027  -0.025894
+    1SOL     O4    4  -0.237288   0.128711  -0.065230
+    1SOL     H5    5  -0.314414   0.086334  -0.027573
+    1SOL     H6    6  -0.166032   0.066590  -0.050198
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/092/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020030  -0.090600  -0.023510
+    0SOL     H3    3   0.084393   0.045006  -0.003829
+    1SOL     O4    4  -0.025149  -0.012989   0.258674
+    1SOL     H5    5  -0.036825  -0.015405   0.163699
+    1SOL     H6    6   0.059327   0.030194   0.271377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/093/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049459  -0.005928  -0.081737
+    0SOL     H3    3  -0.012311  -0.085257   0.041737
+    1SOL     O4    4   0.004381  -0.241858   0.129936
+    1SOL     H5    5   0.090211  -0.283146   0.120404
+    1SOL     H6    6  -0.016538  -0.251164   0.222877
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/094/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008613  -0.004739   0.095214
+    0SOL     H3    3   0.005888   0.093420  -0.020009
+    1SOL     O4    4   0.244804  -0.094288  -0.078676
+    1SOL     H5    5   0.160891  -0.052929  -0.058420
+    1SOL     H6    6   0.309482  -0.041588  -0.031753
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/095/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063141  -0.058152  -0.042354
+    0SOL     H3    3  -0.024636   0.087688  -0.029432
+    1SOL     O4    4   0.011903  -0.027113   0.267095
+    1SOL     H5    5   0.026970  -0.040482   0.173519
+    1SOL     H6    6   0.087368  -0.067848   0.309614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/096/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009260  -0.002669  -0.095234
+    0SOL     H3    3  -0.010804  -0.090979   0.027722
+    1SOL     O4    4   0.006444  -0.274445   0.026371
+    1SOL     H5    5  -0.012504  -0.275162   0.120194
+    1SOL     H6    6  -0.072038  -0.311232  -0.014244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/097/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005958   0.003498  -0.095470
+    0SOL     H3    3  -0.016999   0.090448   0.026315
+    1SOL     O4    4  -0.010344   0.024110  -0.292468
+    1SOL     H5    5  -0.069388  -0.040359  -0.331453
+    1SOL     H6    6   0.077240  -0.005427  -0.317346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/098/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073465   0.051052  -0.034043
+    0SOL     H3    3   0.077631   0.050289  -0.024633
+    1SOL     O4    4   0.010427  -0.029457  -0.443626
+    1SOL     H5    5   0.076694   0.028763  -0.406458
+    1SOL     H6    6   0.011738  -0.106585  -0.386953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/099/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081473  -0.042635   0.026583
+    0SOL     H3    3   0.008766   0.090073   0.031181
+    1SOL     O4    4  -0.214775  -0.122905   0.120290
+    1SOL     H5    5  -0.199002  -0.210341   0.084674
+    1SOL     H6    6  -0.142057  -0.070094   0.087345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/100/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000408   0.095316   0.008775
+    0SOL     H3    3   0.001121  -0.015399  -0.094467
+    1SOL     O4    4  -0.010294   0.268219   0.070942
+    1SOL     H5    5  -0.089297   0.321876   0.064480
+    1SOL     H6    6   0.006174   0.260976   0.164956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/101/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074052  -0.042904   0.042870
+    0SOL     H3    3  -0.000933   0.088459   0.036557
+    1SOL     O4    4   0.038870  -0.002370  -0.273223
+    1SOL     H5    5   0.045162   0.002727  -0.177846
+    1SOL     H6    6   0.116460  -0.051729  -0.299789
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/102/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009362   0.011936  -0.094510
+    0SOL     H3    3  -0.076231   0.052932   0.023440
+    1SOL     O4    4   0.012979   0.010383  -0.273935
+    1SOL     H5    5   0.092041   0.049151  -0.311465
+    1SOL     H6    6   0.006595  -0.075766  -0.315164
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/103/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008340   0.001932  -0.095336
+    0SOL     H3    3  -0.030350   0.087761   0.023219
+    1SOL     O4    4  -0.048535   0.260785   0.084741
+    1SOL     H5    5  -0.070486   0.256152   0.177795
+    1SOL     H6    6  -0.110260   0.324431   0.048663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/104/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013146  -0.013880  -0.093791
+    0SOL     H3    3   0.084524   0.044512   0.006058
+    1SOL     O4    4  -0.233242   0.119738   0.097350
+    1SOL     H5    5  -0.161346   0.074060   0.053684
+    1SOL     H6    6  -0.228423   0.209377   0.064122
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/105/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077115  -0.056693  -0.001205
+    0SOL     H3    3   0.022989   0.011211  -0.092240
+    1SOL     O4    4  -0.014559  -0.029408  -0.282332
+    1SOL     H5    5   0.061792  -0.075347  -0.317294
+    1SOL     H6    6  -0.089248  -0.082529  -0.309938
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/106/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078865  -0.050454   0.019928
+    0SOL     H3    3  -0.004469   0.015232  -0.094395
+    1SOL     O4    4   0.384262   0.008968  -0.032584
+    1SOL     H5    5   0.317780  -0.041305   0.014481
+    1SOL     H6    6   0.371056   0.099240  -0.003621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/107/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082068   0.026854  -0.041304
+    0SOL     H3    3   0.011943  -0.090975  -0.027263
+    1SOL     O4    4  -0.222013   0.128676  -0.101839
+    1SOL     H5    5  -0.294266   0.086616  -0.055227
+    1SOL     H6    6  -0.218529   0.217275  -0.065775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/108/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000649  -0.084488  -0.044985
+    0SOL     H3    3   0.076697   0.045967  -0.034160
+    1SOL     O4    4  -0.025189  -0.240521  -0.111613
+    1SOL     H5    5  -0.036648  -0.241780  -0.206636
+    1SOL     H6    6  -0.108156  -0.273392  -0.076997
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/109/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077252  -0.044888   0.034346
+    0SOL     H3    3   0.073820  -0.042338   0.043822
+    1SOL     O4    4   0.022294   0.019836  -0.262050
+    1SOL     H5    5   0.050097   0.025928  -0.170660
+    1SOL     H6    6   0.015858   0.110754  -0.291288
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/110/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085239  -0.042663  -0.008746
+    0SOL     H3    3   0.060045  -0.056050  -0.049146
+    1SOL     O4    4   0.216008  -0.126476  -0.078278
+    1SOL     H5    5   0.298238  -0.087814  -0.048182
+    1SOL     H6    6   0.215045  -0.214000  -0.039538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/111/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081102  -0.042069   0.028547
+    0SOL     H3    3  -0.004404   0.088182   0.036971
+    1SOL     O4    4  -0.213140  -0.122710   0.131012
+    1SOL     H5    5  -0.208307  -0.124756   0.226588
+    1SOL     H6    6  -0.205863  -0.214439   0.104647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/112/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021114   0.028727   0.088833
+    0SOL     H3    3  -0.072787   0.031770  -0.053434
+    1SOL     O4    4   0.254699   0.073948  -0.098574
+    1SOL     H5    5   0.164963   0.062542  -0.067272
+    1SOL     H6    6   0.273408   0.166762  -0.084505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/113/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032501   0.087132  -0.022671
+    0SOL     H3    3   0.070820  -0.059308  -0.025089
+    1SOL     O4    4  -0.019113   0.008314   0.271519
+    1SOL     H5    5   0.000474   0.005359   0.177872
+    1SOL     H6    6  -0.096598  -0.046977   0.281587
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/114/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001044   0.024150  -0.092617
+    0SOL     H3    3   0.083438   0.032177   0.034134
+    1SOL     O4    4  -0.033058  -0.254306   0.076348
+    1SOL     H5    5  -0.027255  -0.269430   0.170688
+    1SOL     H6    6  -0.000805  -0.164988   0.064334
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/115/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039432  -0.006932  -0.086945
+    0SOL     H3    3   0.054015  -0.056341   0.055411
+    1SOL     O4    4  -0.245479  -0.119191   0.084874
+    1SOL     H5    5  -0.326825  -0.081825   0.050978
+    1SOL     H6    6  -0.176894  -0.081118   0.030020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/116/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012558  -0.002292  -0.094865
+    0SOL     H3    3  -0.009311  -0.091165   0.027650
+    1SOL     O4    4  -0.032632  -0.258615   0.087328
+    1SOL     H5    5  -0.106903  -0.304700   0.048310
+    1SOL     H6    6   0.042790  -0.314522   0.068670
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/117/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008455  -0.006205   0.095144
+    0SOL     H3    3  -0.072048   0.057024  -0.026828
+    1SOL     O4    4  -0.012812  -0.272595  -0.072081
+    1SOL     H5    5  -0.005686  -0.273343  -0.167533
+    1SOL     H6    6  -0.020432  -0.179935  -0.049311
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/118/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078604  -0.044913  -0.031090
+    0SOL     H3    3   0.001298  -0.012288   0.094919
+    1SOL     O4    4   0.213058  -0.113585  -0.098312
+    1SOL     H5    5   0.210237  -0.203811  -0.066476
+    1SOL     H6    6   0.297222  -0.079911  -0.067576
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/119/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011860  -0.011839   0.094242
+    0SOL     H3    3  -0.022115  -0.087256  -0.032554
+    1SOL     O4    4  -0.201492   0.160637  -0.090690
+    1SOL     H5    5  -0.277730   0.116031  -0.053807
+    1SOL     H6    6  -0.126386   0.112784  -0.055599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/120/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080949   0.047794   0.018036
+    0SOL     H3    3   0.069327   0.056452   0.034195
+    1SOL     O4    4   0.031168  -0.271897   0.116265
+    1SOL     H5    5  -0.058047  -0.304409   0.104185
+    1SOL     H6    6   0.037726  -0.197152   0.056830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/121/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009236  -0.017867  -0.093583
+    0SOL     H3    3  -0.076694  -0.041040   0.039951
+    1SOL     O4    4  -0.206656  -0.126684   0.151605
+    1SOL     H5    5  -0.284834  -0.080852   0.120785
+    1SOL     H6    6  -0.212061  -0.213251   0.111119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/122/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011428   0.017657  -0.093381
+    0SOL     H3    3   0.022429   0.084977   0.037923
+    1SOL     O4    4   0.029746   0.255409   0.035452
+    1SOL     H5    5   0.034408   0.243847   0.130357
+    1SOL     H6    6   0.107882   0.306196   0.013595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/123/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007575   0.005112  -0.095283
+    0SOL     H3    3   0.090349   0.003117   0.031458
+    1SOL     O4    4  -0.014265   0.004972  -0.259999
+    1SOL     H5    5   0.068075  -0.029746  -0.294307
+    1SOL     H6    6  -0.014651   0.096827  -0.286922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/124/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088674  -0.029033   0.021360
+    0SOL     H3    3   0.057110  -0.063432   0.043326
+    1SOL     O4    4   0.218840   0.396948   0.026312
+    1SOL     H5    5   0.214194   0.484419   0.064906
+    1SOL     H6    6   0.135940   0.355630   0.050454
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/125/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084792  -0.015310  -0.041693
+    0SOL     H3    3   0.063003  -0.044470  -0.056704
+    1SOL     O4    4  -0.223447  -0.111122  -0.122282
+    1SOL     H5    5  -0.217657  -0.122958  -0.217090
+    1SOL     H6    6  -0.219266  -0.199891  -0.086715
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/126/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018603   0.002241  -0.093868
+    0SOL     H3    3  -0.008203  -0.092326   0.023894
+    1SOL     O4    4  -0.018759  -0.241941   0.119083
+    1SOL     H5    5  -0.090174  -0.287320   0.074329
+    1SOL     H6    6   0.060257  -0.288282   0.091313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/127/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073682  -0.040895  -0.045397
+    0SOL     H3    3  -0.004433   0.092217  -0.025273
+    1SOL     O4    4   0.002442  -0.005233   0.265218
+    1SOL     H5    5   0.005679  -0.018739   0.170511
+    1SOL     H6    6  -0.006153   0.089526   0.275665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/128/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016511   0.019224  -0.092305
+    0SOL     H3    3   0.059271   0.058165   0.047603
+    1SOL     O4    4  -0.019083  -0.267429   0.086116
+    1SOL     H5    5   0.070912  -0.299545   0.080475
+    1SOL     H6    6  -0.015592  -0.179502   0.048448
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/129/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007440   0.004165  -0.095339
+    0SOL     H3    3  -0.082287  -0.039528   0.028789
+    1SOL     O4    4   0.238346  -0.115640   0.089757
+    1SOL     H5    5   0.156475  -0.077954   0.057519
+    1SOL     H6    6   0.305782  -0.053423   0.062485
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/130/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010408  -0.038405  -0.087058
+    0SOL     H3    3   0.074750  -0.046273   0.037863
+    1SOL     O4    4  -0.050529  -0.022789  -0.291538
+    1SOL     H5    5  -0.138961  -0.056960  -0.304748
+    1SOL     H6    6  -0.052945   0.065215  -0.329112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/131/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015015  -0.006103  -0.094338
+    0SOL     H3    3   0.000177   0.093954   0.018300
+    1SOL     O4    4  -0.014791   0.254913   0.076777
+    1SOL     H5    5  -0.020725   0.252140   0.172272
+    1SOL     H6    6  -0.078134   0.321782   0.050728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/132/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016137  -0.016004  -0.092983
+    0SOL     H3    3   0.077439   0.047630   0.029947
+    1SOL     O4    4  -0.010522  -0.311855   0.055077
+    1SOL     H5    5  -0.036869  -0.232390   0.008671
+    1SOL     H6    6  -0.079225  -0.375359   0.034841
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/133/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001605  -0.088040   0.037534
+    0SOL     H3    3   0.069260   0.045325   0.048073
+    1SOL     O4    4   0.014217  -0.267095   0.076484
+    1SOL     H5    5   0.038227  -0.255350   0.168396
+    1SOL     H6    6  -0.050435  -0.337675   0.077400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/134/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083744   0.040108   0.023250
+    0SOL     H3    3   0.064606   0.047125   0.052608
+    1SOL     O4    4   0.000992  -0.270776   0.043675
+    1SOL     H5    5   0.016593  -0.267694   0.138065
+    1SOL     H6    6  -0.000661  -0.178976   0.016614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/135/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012700  -0.002561  -0.094839
+    0SOL     H3    3   0.081358   0.048981   0.012004
+    1SOL     O4    4  -0.019351  -0.253890   0.147674
+    1SOL     H5    5  -0.102747  -0.289977   0.117588
+    1SOL     H6    6  -0.012353  -0.169382   0.103267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/136/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006342  -0.009599  -0.095026
+    0SOL     H3    3   0.076357  -0.052329   0.024363
+    1SOL     O4    4   0.001025   0.260591   0.123760
+    1SOL     H5    5  -0.077570   0.294641   0.081031
+    1SOL     H6    6  -0.002654   0.166090   0.108981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/137/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003803   0.006941   0.095392
+    0SOL     H3    3   0.084285   0.034104  -0.029923
+    1SOL     O4    4   0.001477  -0.248262  -0.122986
+    1SOL     H5    5  -0.083026  -0.286511  -0.099351
+    1SOL     H6    6   0.002099  -0.162864  -0.079753
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/138/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018867  -0.090418   0.025117
+    0SOL     H3    3   0.009152   0.000848  -0.095278
+    1SOL     O4    4   0.216051   0.386314  -0.037115
+    1SOL     H5    5   0.304671   0.421642  -0.044907
+    1SOL     H6    6   0.227454   0.302618   0.007911
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/139/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004136   0.006464   0.095412
+    0SOL     H3    3   0.077157  -0.051341  -0.023942
+    1SOL     O4    4   0.028350   0.014512   0.264763
+    1SOL     H5    5   0.109109  -0.019515   0.303266
+    1SOL     H6    6   0.029325   0.107928   0.285613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/140/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016707   0.016706  -0.092758
+    0SOL     H3    3  -0.021514   0.085892   0.036360
+    1SOL     O4    4   0.223631  -0.138548   0.103570
+    1SOL     H5    5   0.157763  -0.085249   0.059040
+    1SOL     H6    6   0.204824  -0.127066   0.196719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/141/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027908   0.016937  -0.089981
+    0SOL     H3    3   0.016467  -0.094255   0.002680
+    1SOL     O4    4   0.010597  -0.262008   0.039644
+    1SOL     H5    5   0.019506  -0.301177   0.126528
+    1SOL     H6    6   0.082328  -0.299841  -0.011205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/142/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073235   0.050209  -0.035750
+    0SOL     H3    3   0.075716   0.057743  -0.009753
+    1SOL     O4    4   0.203223   0.129699  -0.069019
+    1SOL     H5    5   0.210932   0.140123  -0.163857
+    1SOL     H6    6   0.225532   0.215750  -0.033525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/143/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018947   0.020833   0.091484
+    0SOL     H3    3  -0.077287  -0.047682  -0.030258
+    1SOL     O4    4   0.021730   0.022934   0.273902
+    1SOL     H5    5  -0.057828  -0.019277   0.306323
+    1SOL     H6    6   0.006092   0.116521   0.286521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/144/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022374   0.013071   0.092146
+    0SOL     H3    3   0.079228   0.024742  -0.047677
+    1SOL     O4    4   0.020143  -0.269381  -0.079600
+    1SOL     H5    5  -0.010636  -0.184359  -0.048194
+    1SOL     H6    6  -0.057219  -0.325649  -0.076232
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/145/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005661  -0.004738  -0.095435
+    0SOL     H3    3  -0.009006   0.093177   0.019979
+    1SOL     O4    4  -0.265652  -0.130567   0.055901
+    1SOL     H5    5  -0.343959  -0.094501   0.014312
+    1SOL     H6    6  -0.198864  -0.063052   0.043932
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/146/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001352  -0.092025   0.026303
+    0SOL     H3    3   0.082157   0.033911   0.035533
+    1SOL     O4    4  -0.253429   0.103647   0.088188
+    1SOL     H5    5  -0.170514   0.074480   0.050285
+    1SOL     H6    6  -0.263228   0.193916   0.057892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/147/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076088   0.051866  -0.026132
+    0SOL     H3    3   0.075287   0.053610  -0.024902
+    1SOL     O4    4   0.256380   0.124707  -0.090921
+    1SOL     H5    5   0.241713   0.125014  -0.185510
+    1SOL     H6    6   0.248393   0.216531  -0.065098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/148/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007018  -0.019372   0.093476
+    0SOL     H3    3   0.079740   0.048848  -0.020439
+    1SOL     O4    4  -0.007062  -0.254542  -0.084430
+    1SOL     H5    5   0.086659  -0.263018  -0.066911
+    1SOL     H6    6  -0.031307  -0.170638  -0.045254
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/149/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089639   0.030400  -0.014246
+    0SOL     H3    3   0.019002   0.023080   0.090931
+    1SOL     O4    4   0.034475   0.037931   0.266072
+    1SOL     H5    5   0.027212  -0.052566   0.296403
+    1SOL     H6    6   0.119455   0.067453   0.298770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/150/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012412   0.007640   0.094604
+    0SOL     H3    3   0.082824  -0.035503  -0.032282
+    1SOL     O4    4   0.006909   0.270447  -0.073485
+    1SOL     H5    5  -0.066536   0.329375  -0.056290
+    1SOL     H6    6  -0.015331   0.190048  -0.026542
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/151/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000458  -0.019027   0.093809
+    0SOL     H3    3  -0.018593   0.093742  -0.005383
+    1SOL     O4    4  -0.208322  -0.138771  -0.103484
+    1SOL     H5    5  -0.200917  -0.145246  -0.198697
+    1SOL     H6    6  -0.140959  -0.075555  -0.078418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/152/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082235   0.042521  -0.024325
+    0SOL     H3    3   0.067936   0.055249  -0.038659
+    1SOL     O4    4   0.205677   0.149362  -0.095603
+    1SOL     H5    5   0.190922   0.149476  -0.190179
+    1SOL     H6    6   0.209667   0.241995  -0.071825
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/153/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012226   0.023780  -0.091909
+    0SOL     H3    3   0.072724  -0.059149   0.019363
+    1SOL     O4    4   0.015922   0.041200  -0.298827
+    1SOL     H5    5  -0.057780  -0.018576  -0.311367
+    1SOL     H6    6   0.090011  -0.003027  -0.340264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/154/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080834   0.043793   0.026653
+    0SOL     H3    3   0.007368  -0.088216   0.036414
+    1SOL     O4    4  -0.000987  -0.241423   0.093111
+    1SOL     H5    5  -0.066899  -0.308358   0.074738
+    1SOL     H6    6   0.081861  -0.289313   0.095396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/155/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017504   0.006765   0.093863
+    0SOL     H3    3   0.024631   0.085525  -0.035231
+    1SOL     O4    4   0.049070   0.246787  -0.108809
+    1SOL     H5    5  -0.028017   0.292410  -0.075067
+    1SOL     H6    6   0.120087   0.310455  -0.100726
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/156/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082985  -0.039094   0.027340
+    0SOL     H3    3  -0.000767   0.087509   0.038781
+    1SOL     O4    4   0.421238   0.037058  -0.026221
+    1SOL     H5    5   0.361877  -0.012353   0.030323
+    1SOL     H6    6   0.431883   0.121307   0.017951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/157/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010878  -0.017051  -0.093559
+    0SOL     H3    3  -0.084802   0.034323   0.028158
+    1SOL     O4    4   0.219953   0.107437   0.111737
+    1SOL     H5    5   0.146011   0.063729   0.069494
+    1SOL     H6    6   0.297188   0.062496   0.077424
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/158/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077804   0.048855  -0.026870
+    0SOL     H3    3  -0.012948  -0.087612  -0.036315
+    1SOL     O4    4  -0.030640  -0.252838  -0.130236
+    1SOL     H5    5  -0.028217  -0.238903  -0.224906
+    1SOL     H6    6  -0.100654  -0.316789  -0.117176
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/159/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070827   0.053437  -0.035921
+    0SOL     H3    3   0.079227   0.051289  -0.015966
+    1SOL     O4    4  -0.207161   0.111247  -0.124332
+    1SOL     H5    5  -0.202502   0.112359  -0.219933
+    1SOL     H6    6  -0.282687   0.055841  -0.104628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/160/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069822   0.060901  -0.024047
+    0SOL     H3    3   0.080842   0.046210  -0.022171
+    1SOL     O4    4   0.003645   0.027763   0.295977
+    1SOL     H5    5  -0.002194   0.014826   0.201315
+    1SOL     H6    6   0.031244  -0.057277   0.330164
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/161/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017365  -0.011600  -0.093414
+    0SOL     H3    3  -0.076900  -0.036873   0.043465
+    1SOL     O4    4  -0.024425  -0.034289  -0.283497
+    1SOL     H5    5  -0.090791  -0.086999  -0.327988
+    1SOL     H6    6   0.058978  -0.069117  -0.315014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/162/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009621  -0.001715   0.095220
+    0SOL     H3    3  -0.010057  -0.091912  -0.024764
+    1SOL     O4    4  -0.029008  -0.235894  -0.103531
+    1SOL     H5    5   0.005972  -0.224587  -0.191911
+    1SOL     H6    6   0.038529  -0.285380  -0.057140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/163/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019503  -0.001499   0.093700
+    0SOL     H3    3  -0.072957  -0.046939  -0.040453
+    1SOL     O4    4   0.221257  -0.109775  -0.061637
+    1SOL     H5    5   0.246868  -0.100412  -0.153391
+    1SOL     H6    6   0.143832  -0.054231  -0.052545
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/164/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034404   0.015630  -0.087945
+    0SOL     H3    3  -0.069165  -0.049000   0.044469
+    1SOL     O4    4  -0.217078  -0.157774   0.079248
+    1SOL     H5    5  -0.305990  -0.124566   0.066824
+    1SOL     H6    6  -0.224077  -0.251820   0.062860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/165/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018869  -0.010359  -0.093268
+    0SOL     H3    3   0.015206  -0.086811   0.037348
+    1SOL     O4    4   0.033656  -0.000090  -0.251990
+    1SOL     H5    5  -0.041671   0.050904  -0.281786
+    1SOL     H6    6   0.109659   0.047926  -0.284861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/166/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039861   0.017352   0.085278
+    0SOL     H3    3   0.048282   0.055900  -0.060880
+    1SOL     O4    4   0.208529   0.140167  -0.118406
+    1SOL     H5    5   0.222518   0.138072  -0.213076
+    1SOL     H6    6   0.224249   0.231334  -0.093836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/167/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075532  -0.055552  -0.019267
+    0SOL     H3    3   0.075516  -0.058062  -0.009407
+    1SOL     O4    4  -0.207233  -0.360743  -0.003279
+    1SOL     H5    5  -0.293558  -0.396526  -0.024013
+    1SOL     H6    6  -0.145701  -0.427780  -0.032982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/168/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083548  -0.027632   0.037663
+    0SOL     H3    3  -0.008552   0.091893   0.025396
+    1SOL     O4    4   0.021408   0.247367   0.085291
+    1SOL     H5    5   0.012679   0.257994   0.180018
+    1SOL     H6    6  -0.054043   0.293676   0.048893
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/169/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084626  -0.035889   0.026698
+    0SOL     H3    3   0.064419  -0.060336   0.037043
+    1SOL     O4    4  -0.036442  -0.005260  -0.273985
+    1SOL     H5    5  -0.020701  -0.002884  -0.179598
+    1SOL     H6    6  -0.112000  -0.063119  -0.284265
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/170/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010632  -0.080375  -0.050883
+    0SOL     H3    3  -0.029501  -0.023254   0.088041
+    1SOL     O4    4  -0.004375  -0.015828   0.264778
+    1SOL     H5    5  -0.077729   0.039115   0.292396
+    1SOL     H6    6  -0.002233  -0.086958   0.328795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/171/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000282  -0.027953  -0.091547
+    0SOL     H3    3  -0.084943   0.042340   0.012426
+    1SOL     O4    4   0.225460   0.116479   0.120091
+    1SOL     H5    5   0.217376   0.102024   0.214367
+    1SOL     H6    6   0.141185   0.088657   0.084232
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/172/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073427   0.051515  -0.033421
+    0SOL     H3    3  -0.007822  -0.084486  -0.044308
+    1SOL     O4    4   0.031127  -0.006528   0.297607
+    1SOL     H5    5   0.018880  -0.020889   0.203766
+    1SOL     H6    6   0.103577   0.055788   0.303094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/173/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068062   0.055370  -0.038263
+    0SOL     H3    3   0.082218   0.040076  -0.028220
+    1SOL     O4    4  -0.203336   0.143931  -0.080263
+    1SOL     H5    5  -0.206393   0.140866  -0.175885
+    1SOL     H6    6  -0.286003   0.104580  -0.052335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/174/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005067  -0.093918  -0.017778
+    0SOL     H3    3   0.083119   0.027323  -0.038819
+    1SOL     O4    4   0.017615  -0.256148  -0.094518
+    1SOL     H5    5  -0.020421  -0.265940  -0.181808
+    1SOL     H6    6   0.099384  -0.305768  -0.098266
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/175/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010211  -0.005591   0.095009
+    0SOL     H3    3  -0.071325   0.057130  -0.028481
+    1SOL     O4    4   0.269140   0.110029  -0.085587
+    1SOL     H5    5   0.184432   0.068785  -0.068683
+    1SOL     H6    6   0.259492   0.199222  -0.052212
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/176/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074720   0.048402  -0.035164
+    0SOL     H3    3   0.076606   0.044224  -0.036581
+    1SOL     O4    4   0.003215  -0.282182  -0.081438
+    1SOL     H5    5   0.085373  -0.324914  -0.057222
+    1SOL     H6    6   0.004658  -0.198912  -0.034254
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/177/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002450   0.011740  -0.094966
+    0SOL     H3    3   0.007628   0.088777   0.034968
+    1SOL     O4    4   0.021538   0.258130   0.062992
+    1SOL     H5    5  -0.063949   0.300249   0.054031
+    1SOL     H6    6   0.084067   0.324139   0.033072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/178/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079178   0.025974  -0.047102
+    0SOL     H3    3   0.017874  -0.089002  -0.030355
+    1SOL     O4    4  -0.225363   0.121113  -0.078257
+    1SOL     H5    5  -0.236306   0.102619  -0.171534
+    1SOL     H6    6  -0.295334   0.071637  -0.035611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/179/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024463  -0.088323  -0.027621
+    0SOL     H3    3   0.084430   0.015830  -0.042229
+    1SOL     O4    4  -0.016781   0.028795   0.265409
+    1SOL     H5    5  -0.020309   0.021391   0.170041
+    1SOL     H6    6  -0.095484   0.078102   0.288580
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/180/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084302   0.040267   0.020836
+    0SOL     H3    3  -0.008391  -0.090365   0.030433
+    1SOL     O4    4   0.000009  -0.263435   0.087298
+    1SOL     H5    5   0.006315  -0.256639   0.182568
+    1SOL     H6    6   0.086808  -0.292712   0.059529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/181/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003518  -0.007843  -0.095333
+    0SOL     H3    3   0.019062   0.092210   0.017214
+    1SOL     O4    4   0.067552   0.264302   0.056675
+    1SOL     H5    5   0.070138   0.268864   0.152251
+    1SOL     H6    6   0.151036   0.301775   0.028593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/182/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003224  -0.011473   0.094975
+    0SOL     H3    3   0.083949   0.043064  -0.016135
+    1SOL     O4    4   0.040053  -0.002781   0.283906
+    1SOL     H5    5  -0.036190   0.041126   0.321608
+    1SOL     H6    6   0.029409  -0.094680   0.308475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/183/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053865  -0.003004   0.079069
+    0SOL     H3    3  -0.080842  -0.045123   0.024306
+    1SOL     O4    4   0.003816  -0.022487   0.273429
+    1SOL     H5    5   0.083196  -0.059220   0.312312
+    1SOL     H6    6  -0.004095   0.064469   0.312650
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/184/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008314  -0.091331  -0.027421
+    0SOL     H3    3   0.063531   0.047120  -0.053906
+    1SOL     O4    4  -0.029186   0.034534   0.269786
+    1SOL     H5    5  -0.017129   0.023230   0.175503
+    1SOL     H6    6   0.044572   0.089118   0.297038
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/185/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071101   0.049507  -0.040694
+    0SOL     H3    3  -0.006762  -0.087508  -0.038197
+    1SOL     O4    4  -0.225796   0.111510  -0.129430
+    1SOL     H5    5  -0.219737   0.205287  -0.111225
+    1SOL     H6    6  -0.306640   0.083860  -0.086280
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/186/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013263   0.029341  -0.090142
+    0SOL     H3    3   0.005529  -0.095441  -0.004769
+    1SOL     O4    4   0.028332   0.055103  -0.266773
+    1SOL     H5    5  -0.044755   0.113874  -0.285922
+    1SOL     H6    6   0.104695   0.098633  -0.304669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/187/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087759  -0.033634   0.018149
+    0SOL     H3    3   0.008634  -0.005583  -0.095166
+    1SOL     O4    4  -0.001005  -0.015268  -0.279865
+    1SOL     H5    5   0.079259  -0.045348  -0.322470
+    1SOL     H6    6  -0.071581  -0.049659  -0.334624
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/188/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081420  -0.042834   0.026428
+    0SOL     H3    3  -0.000195   0.082843   0.047951
+    1SOL     O4    4   0.022382   0.019060  -0.278830
+    1SOL     H5    5   0.013796   0.030044  -0.184130
+    1SOL     H6    6  -0.052368  -0.035380  -0.303549
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/189/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062278  -0.068355  -0.024724
+    0SOL     H3    3   0.085980  -0.039815  -0.013588
+    1SOL     O4    4   0.014312  -0.039643   0.298655
+    1SOL     H5    5   0.011692  -0.021361   0.204733
+    1SOL     H6    6   0.093609  -0.091877   0.310734
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/190/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012569  -0.083443  -0.045184
+    0SOL     H3    3   0.061231   0.059892  -0.042732
+    1SOL     O4    4   0.197792   0.135494  -0.143045
+    1SOL     H5    5   0.187595   0.108858  -0.234418
+    1SOL     H6    6   0.291347   0.125509  -0.125435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/191/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004791   0.003041  -0.095552
+    0SOL     H3    3  -0.083797   0.041148   0.021149
+    1SOL     O4    4   0.465607  -0.014824  -0.022285
+    1SOL     H5    5   0.486364  -0.029367  -0.114589
+    1SOL     H6    6   0.549114   0.009791   0.017502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/192/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071822   0.055266  -0.030816
+    0SOL     H3    3   0.078918   0.041752  -0.034511
+    1SOL     O4    4  -0.228409   0.151607  -0.065962
+    1SOL     H5    5  -0.306671   0.120932  -0.020176
+    1SOL     H6    6  -0.222954   0.244714  -0.044430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/193/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064591  -0.069944   0.009907
+    0SOL     H3    3  -0.042621   0.077412   0.036784
+    1SOL     O4    4  -0.214700  -0.159788   0.079037
+    1SOL     H5    5  -0.203087  -0.158647   0.174043
+    1SOL     H6    6  -0.221843  -0.252626   0.056846
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/194/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052600  -0.059886   0.053002
+    0SOL     H3    3   0.083440  -0.045391  -0.011820
+    1SOL     O4    4   0.059693   0.224420   0.122083
+    1SOL     H5    5   0.042531   0.148736   0.066049
+    1SOL     H6    6   0.132857   0.269440   0.079863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/195/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013941  -0.092404   0.020725
+    0SOL     H3    3   0.084287   0.041623   0.018041
+    1SOL     O4    4   0.004530  -0.265764   0.076542
+    1SOL     H5    5   0.033990  -0.278689   0.166694
+    1SOL     H6    6   0.071994  -0.307558   0.023024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/196/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001424  -0.011621  -0.095001
+    0SOL     H3    3   0.075219  -0.051414   0.029342
+    1SOL     O4    4   0.192480  -0.164753   0.118748
+    1SOL     H5    5   0.178736  -0.247319   0.072313
+    1SOL     H6    6   0.283417  -0.141510   0.099972
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/197/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077415  -0.054043  -0.015765
+    0SOL     H3    3   0.023683   0.086323  -0.033909
+    1SOL     O4    4   0.004404   0.265176  -0.118647
+    1SOL     H5    5   0.089064   0.302881  -0.094701
+    1SOL     H6    6  -0.059988   0.327668  -0.085320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/198/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002121   0.007463  -0.095405
+    0SOL     H3    3  -0.013824  -0.093273   0.016474
+    1SOL     O4    4   0.209052  -0.377017   0.012347
+    1SOL     H5    5   0.206600  -0.470920   0.030751
+    1SOL     H6    6   0.296617  -0.349515   0.039518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/199/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011801   0.002619   0.094954
+    0SOL     H3    3   0.000087   0.091916  -0.026717
+    1SOL     O4    4  -0.225993  -0.118201  -0.111622
+    1SOL     H5    5  -0.230290  -0.121545  -0.207187
+    1SOL     H6    6  -0.141844  -0.076633  -0.092823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/200/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073885   0.049960  -0.034745
+    0SOL     H3    3  -0.012772  -0.088545  -0.034044
+    1SOL     O4    4  -0.001798   0.010748   0.266660
+    1SOL     H5    5   0.007445   0.016151   0.171540
+    1SOL     H6    6   0.066741   0.068225   0.300735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/201/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003846  -0.024631  -0.092417
+    0SOL     H3    3   0.082170  -0.037677   0.031479
+    1SOL     O4    4  -0.012690  -0.018028  -0.275747
+    1SOL     H5    5  -0.095020  -0.063023  -0.294711
+    1SOL     H6    6   0.054357  -0.072002  -0.317625
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/202/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018715  -0.085389   0.038998
+    0SOL     H3    3  -0.075576   0.054012   0.023091
+    1SOL     O4    4   0.225084   0.118992   0.131125
+    1SOL     H5    5   0.145094   0.075172   0.102078
+    1SOL     H6    6   0.294923   0.077474   0.080517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/203/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092430  -0.019045   0.016006
+    0SOL     H3    3  -0.010843   0.091058   0.027444
+    1SOL     O4    4   0.026798   0.309302   0.086403
+    1SOL     H5    5   0.045351   0.321997   0.179446
+    1SOL     H6    6   0.104479   0.342842   0.041647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/204/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079050   0.034237   0.041729
+    0SOL     H3    3   0.015527  -0.083966   0.043255
+    1SOL     O4    4   0.204820   0.172982   0.091021
+    1SOL     H5    5   0.131524   0.115029   0.070249
+    1SOL     H6    6   0.282244   0.125565   0.060701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/205/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000588   0.001860   0.095700
+    0SOL     H3    3   0.077074   0.050730  -0.025464
+    1SOL     O4    4  -0.010729  -0.256441  -0.093264
+    1SOL     H5    5  -0.085252  -0.312176  -0.070853
+    1SOL     H6    6  -0.026794  -0.174752  -0.046030
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/206/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008256   0.003775   0.095289
+    0SOL     H3    3  -0.008457   0.091004  -0.028445
+    1SOL     O4    4  -0.016016   0.276837  -0.060939
+    1SOL     H5    5  -0.024505   0.289916  -0.155381
+    1SOL     H6    6   0.063330   0.324781  -0.037108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/207/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007948   0.003930  -0.095308
+    0SOL     H3    3  -0.015918   0.089779   0.029132
+    1SOL     O4    4   0.004094   0.021168  -0.271992
+    1SOL     H5    5   0.087727  -0.001524  -0.312648
+    1SOL     H6    6  -0.013576   0.110441  -0.301665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/208/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018550  -0.021148   0.091493
+    0SOL     H3    3  -0.079305  -0.025585  -0.047100
+    1SOL     O4    4  -0.015747   0.004764   0.273339
+    1SOL     H5    5  -0.100501  -0.037903   0.285927
+    1SOL     H6    6   0.048220  -0.059270   0.304488
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/209/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011054   0.027502  -0.091015
+    0SOL     H3    3   0.081029   0.042431   0.028219
+    1SOL     O4    4  -0.233908   0.073437   0.146189
+    1SOL     H5    5  -0.160347   0.036892   0.097042
+    1SOL     H6    6  -0.241036   0.163701   0.115142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/210/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077004   0.035496  -0.044416
+    0SOL     H3    3   0.008588  -0.088963  -0.034267
+    1SOL     O4    4   0.216988   0.144785  -0.101544
+    1SOL     H5    5   0.140104   0.101852  -0.064021
+    1SOL     H6    6   0.290020   0.087125  -0.079096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/211/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009932   0.010320   0.094642
+    0SOL     H3    3  -0.038283   0.079563  -0.036965
+    1SOL     O4    4   0.210669  -0.139924  -0.077489
+    1SOL     H5    5   0.126363  -0.107065  -0.046261
+    1SOL     H6    6   0.224262  -0.221215  -0.028814
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/212/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083570   0.037312   0.028039
+    0SOL     H3    3  -0.002239  -0.090326   0.031599
+    1SOL     O4    4   0.410275  -0.016278  -0.018393
+    1SOL     H5    5   0.421160  -0.020723  -0.113388
+    1SOL     H6    6   0.474334   0.048899   0.010080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/213/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085293  -0.040537  -0.015630
+    0SOL     H3    3   0.013436  -0.008013   0.094433
+    1SOL     O4    4   0.030883   0.257426  -0.082968
+    1SOL     H5    5  -0.041764   0.298397  -0.035998
+    1SOL     H6    6   0.036978   0.169462  -0.045719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/214/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006158   0.006766   0.095282
+    0SOL     H3    3  -0.077738  -0.053721  -0.015270
+    1SOL     O4    4  -0.195829  -0.166248  -0.079715
+    1SOL     H5    5  -0.275364  -0.128736  -0.041909
+    1SOL     H6    6  -0.198329  -0.258478  -0.054227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/215/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072404  -0.045211  -0.043313
+    0SOL     H3    3  -0.005029   0.084876  -0.043966
+    1SOL     O4    4  -0.045899   0.256612  -0.066132
+    1SOL     H5    5  -0.120285   0.306397  -0.032214
+    1SOL     H6    6   0.030539   0.296092  -0.024170
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/216/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007849   0.005876  -0.095217
+    0SOL     H3    3  -0.086162  -0.029561   0.029404
+    1SOL     O4    4   0.175621  -0.119689   0.307769
+    1SOL     H5    5   0.177650  -0.136983   0.213646
+    1SOL     H6    6   0.096032  -0.068183   0.320995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/217/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024057   0.018250   0.090832
+    0SOL     H3    3   0.027974   0.084633  -0.034886
+    1SOL     O4    4  -0.247651  -0.089906  -0.107700
+    1SOL     H5    5  -0.317894  -0.046901  -0.058927
+    1SOL     H6    6  -0.167687  -0.046604  -0.077814
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/218/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067683  -0.037550  -0.056314
+    0SOL     H3    3  -0.028707   0.078751  -0.046222
+    1SOL     O4    4   0.196755  -0.140413  -0.156192
+    1SOL     H5    5   0.187051  -0.218717  -0.102001
+    1SOL     H6    6   0.272670  -0.095097  -0.119508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/219/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073245  -0.057558  -0.022013
+    0SOL     H3    3   0.017205   0.080491  -0.048861
+    1SOL     O4    4   0.046523  -0.042517   0.266783
+    1SOL     H5    5   0.025700  -0.050542   0.173700
+    1SOL     H6    6   0.045013   0.051688   0.283678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/220/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000595   0.023746   0.092726
+    0SOL     H3    3   0.083422  -0.044855  -0.013822
+    1SOL     O4    4  -0.242652  -0.082714  -0.088627
+    1SOL     H5    5  -0.250648  -0.054998  -0.179898
+    1SOL     H6    6  -0.158416  -0.047326  -0.060092
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/221/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087295  -0.023726  -0.031289
+    0SOL     H3    3   0.002218   0.095551  -0.005228
+    1SOL     O4    4   0.007759   0.047388   0.259121
+    1SOL     H5    5  -0.010285   0.012080   0.172000
+    1SOL     H6    6   0.076173  -0.009520   0.294383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/222/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012810  -0.092406  -0.021434
+    0SOL     H3    3   0.088355   0.019810  -0.031037
+    1SOL     O4    4  -0.211383   0.154382  -0.087230
+    1SOL     H5    5  -0.232248   0.154789  -0.180647
+    1SOL     H6    6  -0.134964   0.097201  -0.079957
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/223/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078003   0.048393  -0.027131
+    0SOL     H3    3   0.073205   0.055783  -0.026298
+    1SOL     O4    4   0.209452   0.145400  -0.123673
+    1SOL     H5    5   0.214896   0.142415  -0.219192
+    1SOL     H6    6   0.202696   0.238599  -0.102922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/224/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006113  -0.007710  -0.095213
+    0SOL     H3    3   0.075733  -0.048414   0.032909
+    1SOL     O4    4  -0.026504   0.248875   0.329106
+    1SOL     H5    5  -0.015526   0.264001   0.235228
+    1SOL     H6    6   0.040435   0.303568   0.370216
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/225/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011543  -0.004661  -0.094907
+    0SOL     H3    3  -0.083098   0.034543   0.032615
+    1SOL     O4    4   0.230737   0.147069   0.099053
+    1SOL     H5    5   0.228331   0.235115   0.061577
+    1SOL     H6    6   0.158088   0.101087   0.056981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/226/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008895  -0.002647  -0.095269
+    0SOL     H3    3   0.078037  -0.052329   0.018280
+    1SOL     O4    4  -0.021332   0.260289   0.094531
+    1SOL     H5    5   0.007771   0.176125   0.059435
+    1SOL     H6    6   0.049397   0.321055   0.072912
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/227/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077879  -0.054576   0.010893
+    0SOL     H3    3   0.070124  -0.049524   0.042336
+    1SOL     O4    4  -0.213713  -0.135633   0.065905
+    1SOL     H5    5  -0.229023  -0.146471   0.159769
+    1SOL     H6    6  -0.279746  -0.072212   0.037983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/228/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006543  -0.017473  -0.093884
+    0SOL     H3    3   0.083871   0.040071   0.022856
+    1SOL     O4    4   0.006532  -0.260510   0.092824
+    1SOL     H5    5   0.086108  -0.294486   0.051890
+    1SOL     H6    6   0.003528  -0.168471   0.066708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/229/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066592  -0.037907  -0.057366
+    0SOL     H3    3  -0.013219   0.088564  -0.033824
+    1SOL     O4    4   0.177486   0.384237   0.035568
+    1SOL     H5    5   0.105016   0.336318  -0.004609
+    1SOL     H6    6   0.165498   0.474654   0.006527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/230/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010831  -0.008348   0.094738
+    0SOL     H3    3   0.031154   0.089600  -0.012791
+    1SOL     O4    4  -0.005021   0.258743  -0.062442
+    1SOL     H5    5  -0.085852   0.306857  -0.044730
+    1SOL     H6    6   0.064502   0.323487  -0.050736
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/231/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001778  -0.090726   0.030462
+    0SOL     H3    3   0.087619   0.033458   0.019124
+    1SOL     O4    4  -0.251249   0.112148   0.084970
+    1SOL     H5    5  -0.167952   0.065400   0.078750
+    1SOL     H6    6  -0.235736   0.194971   0.039562
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/232/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061094  -0.052931   0.051265
+    0SOL     H3    3   0.007423   0.087917   0.037118
+    1SOL     O4    4   0.005051   0.258654   0.094062
+    1SOL     H5    5   0.016926   0.234183   0.185836
+    1SOL     H6    6  -0.079270   0.303910   0.092009
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/233/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003930   0.013852  -0.094631
+    0SOL     H3    3   0.087167  -0.032025   0.023207
+    1SOL     O4    4   0.188807  -0.325282  -0.232194
+    1SOL     H5    5   0.104813  -0.357248  -0.265142
+    1SOL     H6    6   0.196348  -0.236691  -0.267651
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/234/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088437  -0.031751  -0.018250
+    0SOL     H3    3  -0.008181   0.095369  -0.000405
+    1SOL     O4    4   0.021950  -0.020207   0.286400
+    1SOL     H5    5   0.034024  -0.036123   0.192788
+    1SOL     H6    6   0.102458  -0.052560   0.326824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/235/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075465  -0.049916  -0.031237
+    0SOL     H3    3   0.073864  -0.034079  -0.050449
+    1SOL     O4    4  -0.023799   0.036002   0.282279
+    1SOL     H5    5  -0.006978   0.024766   0.188721
+    1SOL     H6    6  -0.036107   0.130286   0.293296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/236/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072280  -0.058601   0.022446
+    0SOL     H3    3  -0.003745   0.007291  -0.095368
+    1SOL     O4    4  -0.002310  -0.033313  -0.271072
+    1SOL     H5    5  -0.079601  -0.081798  -0.300015
+    1SOL     H6    6  -0.012659   0.053640  -0.309730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/237/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085608  -0.039180  -0.017279
+    0SOL     H3    3  -0.007954   0.089978  -0.031670
+    1SOL     O4    4  -0.217601  -0.154336  -0.085715
+    1SOL     H5    5  -0.221347  -0.166008  -0.180647
+    1SOL     H6    6  -0.309119  -0.146011  -0.058929
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/238/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012068   0.093193   0.018214
+    0SOL     H3    3   0.001102  -0.006124  -0.095518
+    1SOL     O4    4  -0.233337  -0.117512   0.053759
+    1SOL     H5    5  -0.229647  -0.104968   0.148582
+    1SOL     H6    6  -0.150153  -0.082669   0.021687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/239/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087927   0.035197   0.013869
+    0SOL     H3    3  -0.001848  -0.024159  -0.092603
+    1SOL     O4    4   0.012617  -0.044280  -0.272338
+    1SOL     H5    5   0.089800  -0.020435  -0.323686
+    1SOL     H6    6  -0.058662   0.006434  -0.311194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/240/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077407  -0.044921  -0.033949
+    0SOL     H3    3   0.072501  -0.059613  -0.018766
+    1SOL     O4    4   0.202031  -0.142498  -0.036562
+    1SOL     H5    5   0.226349  -0.234372  -0.025161
+    1SOL     H6    6   0.284186  -0.094470  -0.026256
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/241/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083354   0.029779   0.036437
+    0SOL     H3    3   0.014156  -0.085983   0.039609
+    1SOL     O4    4  -0.029535   0.059716  -0.280010
+    1SOL     H5    5  -0.028676   0.035589  -0.187385
+    1SOL     H6    6  -0.017064  -0.023033  -0.326480
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/242/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079237  -0.038763   0.037166
+    0SOL     H3    3  -0.012374   0.081159   0.049218
+    1SOL     O4    4  -0.009125   0.246517   0.127195
+    1SOL     H5    5  -0.085436   0.272629   0.075647
+    1SOL     H6    6   0.063458   0.296244   0.089497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/243/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087264   0.035487  -0.016969
+    0SOL     H3    3  -0.001822  -0.087619  -0.038495
+    1SOL     O4    4  -0.032598  -0.251196  -0.115739
+    1SOL     H5    5  -0.038888  -0.260093  -0.210836
+    1SOL     H6    6  -0.109353  -0.297503  -0.082174
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/244/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077628   0.041345  -0.037773
+    0SOL     H3    3  -0.011582  -0.093375  -0.017589
+    1SOL     O4    4  -0.214318   0.106298  -0.079811
+    1SOL     H5    5  -0.299279   0.085913  -0.040717
+    1SOL     H6    6  -0.189840   0.190515  -0.041460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/245/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018618  -0.027421  -0.089799
+    0SOL     H3    3   0.081952   0.038744   0.030741
+    1SOL     O4    4   0.039158  -0.258342   0.075802
+    1SOL     H5    5   0.130485  -0.285125   0.065586
+    1SOL     H6    6   0.038364  -0.165865   0.051110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/246/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077035   0.052714   0.021194
+    0SOL     H3    3   0.071760   0.042348   0.047112
+    1SOL     O4    4  -0.060324  -0.245943   0.065234
+    1SOL     H5    5  -0.149221  -0.279465   0.053580
+    1SOL     H6    6  -0.061674  -0.159531   0.024082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/247/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012663  -0.078838  -0.052787
+    0SOL     H3    3   0.074866   0.044043  -0.040220
+    1SOL     O4    4   0.015785  -0.006352   0.253820
+    1SOL     H5    5   0.020574   0.002406   0.158622
+    1SOL     H6    6   0.106505   0.001740   0.283258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/248/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075573  -0.039088  -0.043854
+    0SOL     H3    3   0.074443  -0.022587  -0.055771
+    1SOL     O4    4  -0.250355  -0.123588  -0.080491
+    1SOL     H5    5  -0.329346  -0.077128  -0.052847
+    1SOL     H6    6  -0.253444  -0.121375  -0.176136
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/249/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010728   0.012239   0.094326
+    0SOL     H3    3  -0.075863   0.053774  -0.022703
+    1SOL     O4    4   0.187749   0.166589  -0.073531
+    1SOL     H5    5   0.102009   0.125568  -0.062209
+    1SOL     H6    6   0.246697   0.114406  -0.019085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/250/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087001  -0.035561   0.018130
+    0SOL     H3    3   0.004540   0.090869   0.029742
+    1SOL     O4    4   0.030595   0.256739   0.081500
+    1SOL     H5    5   0.031664   0.273439   0.175746
+    1SOL     H6    6  -0.049547   0.298951   0.050555
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/251/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070252  -0.050010   0.041545
+    0SOL     H3    3   0.078412  -0.022683   0.049994
+    1SOL     O4    4  -0.071533   0.257302   0.105970
+    1SOL     H5    5  -0.056294   0.249858   0.200175
+    1SOL     H6    6  -0.052329   0.170059   0.071585
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/252/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066526   0.061375   0.031141
+    0SOL     H3    3   0.079478   0.052749  -0.007943
+    1SOL     O4    4  -0.006270  -0.257000   0.063544
+    1SOL     H5    5  -0.081416  -0.294776   0.017845
+    1SOL     H6    6  -0.005849  -0.165012   0.037080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/253/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013875  -0.021317  -0.092279
+    0SOL     H3    3  -0.020646  -0.083910   0.041173
+    1SOL     O4    4  -0.025253  -0.243781   0.114634
+    1SOL     H5    5  -0.000188  -0.213503   0.201911
+    1SOL     H6    6   0.056969  -0.271790   0.074417
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/254/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092914   0.022548  -0.004572
+    0SOL     H3    3  -0.043637   0.067356  -0.052166
+    1SOL     O4    4   0.042843   0.016017   0.268636
+    1SOL     H5    5   0.062070  -0.073561   0.296355
+    1SOL     H6    6   0.013587   0.007308   0.177913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/255/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013496  -0.093005  -0.018173
+    0SOL     H3    3   0.079071   0.042632  -0.033053
+    1SOL     O4    4  -0.200290   0.139762  -0.098517
+    1SOL     H5    5  -0.278605   0.091805  -0.071513
+    1SOL     H6    6  -0.128104   0.094116  -0.055298
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/256/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013992   0.010100  -0.094152
+    0SOL     H3    3   0.073070   0.046903   0.040288
+    1SOL     O4    4  -0.015190  -0.034120  -0.273552
+    1SOL     H5    5  -0.018288  -0.122003  -0.311359
+    1SOL     H6    6   0.060661   0.007124  -0.314879
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/257/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075169  -0.038871   0.044732
+    0SOL     H3    3   0.020582  -0.008257  -0.093116
+    1SOL     O4    4   0.010477   0.004643  -0.286902
+    1SOL     H5    5  -0.050580  -0.063965  -0.313870
+    1SOL     H6    6   0.096241  -0.027076  -0.315201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/258/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071616   0.056454  -0.029094
+    0SOL     H3    3   0.077555   0.035165  -0.043714
+    1SOL     O4    4   0.216582   0.139493  -0.103817
+    1SOL     H5    5   0.225932   0.124564  -0.197902
+    1SOL     H6    6   0.289755   0.091871  -0.064572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/259/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072868  -0.053544  -0.031395
+    0SOL     H3    3   0.012938   0.085082  -0.041905
+    1SOL     O4    4  -0.215552  -0.150094  -0.076085
+    1SOL     H5    5  -0.230822  -0.132688  -0.168962
+    1SOL     H6    6  -0.158208  -0.079000  -0.047456
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/260/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011940   0.017135  -0.093414
+    0SOL     H3    3   0.082427   0.027473   0.040167
+    1SOL     O4    4   0.008748   0.022825  -0.270108
+    1SOL     H5    5  -0.007431  -0.069811  -0.287973
+    1SOL     H6    6  -0.074389   0.065953  -0.289872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/261/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003187   0.004481   0.095562
+    0SOL     H3    3   0.072635   0.055161  -0.029048
+    1SOL     O4    4   0.016912  -0.244609  -0.161196
+    1SOL     H5    5   0.069215  -0.315990  -0.124707
+    1SOL     H6    6   0.047648  -0.166440  -0.115293
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/262/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066993   0.055515  -0.039903
+    0SOL     H3    3  -0.012768  -0.085829  -0.040406
+    1SOL     O4    4   0.228345   0.101515  -0.122851
+    1SOL     H5    5   0.159946   0.048720  -0.081660
+    1SOL     H6    6   0.199907   0.191988  -0.109881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/263/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006816  -0.007833   0.095155
+    0SOL     H3    3   0.002983  -0.090240  -0.031784
+    1SOL     O4    4  -0.250596   0.115258  -0.135719
+    1SOL     H5    5  -0.169108   0.079937  -0.100020
+    1SOL     H6    6  -0.254940   0.204632  -0.101723
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/264/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007448   0.019133  -0.093492
+    0SOL     H3    3   0.074717   0.044773   0.039686
+    1SOL     O4    4   0.231842   0.099440   0.084011
+    1SOL     H5    5   0.214209   0.066138   0.172002
+    1SOL     H6    6   0.316637   0.061697   0.060612
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/265/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013006   0.008865  -0.094417
+    0SOL     H3    3   0.077018   0.041500   0.038836
+    1SOL     O4    4   0.223010   0.160388   0.053391
+    1SOL     H5    5   0.247293   0.160480   0.145980
+    1SOL     H6    6   0.292520   0.110565   0.010400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/266/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075876  -0.040183  -0.042315
+    0SOL     H3    3   0.010377   0.093775  -0.016154
+    1SOL     O4    4  -0.002511   0.269495  -0.062340
+    1SOL     H5    5  -0.082259   0.317062  -0.039100
+    1SOL     H6    6   0.068122   0.332365  -0.047488
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/267/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006916  -0.019194  -0.093521
+    0SOL     H3    3  -0.078424  -0.039203   0.038408
+    1SOL     O4    4   0.013085  -0.006667  -0.289814
+    1SOL     H5    5   0.021453   0.085468  -0.314379
+    1SOL     H6    6   0.089646  -0.048929  -0.328733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/268/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000331  -0.088746  -0.035867
+    0SOL     H3    3   0.075588   0.042533  -0.040494
+    1SOL     O4    4  -0.026381   0.003153   0.286809
+    1SOL     H5    5  -0.000248  -0.001016   0.194819
+    1SOL     H6    6   0.031442   0.069057   0.325221
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/269/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068396   0.054237   0.039277
+    0SOL     H3    3   0.081578   0.045697   0.020471
+    1SOL     O4    4   0.210497   0.133415   0.099765
+    1SOL     H5    5   0.291412   0.097114   0.063747
+    1SOL     H6    6   0.213916   0.226439   0.077469
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/270/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017092   0.004020  -0.094096
+    0SOL     H3    3  -0.077096   0.040101   0.040130
+    1SOL     O4    4  -0.218209   0.098179   0.090481
+    1SOL     H5    5  -0.226452   0.117721   0.183821
+    1SOL     H6    6  -0.235931   0.181517   0.046857
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/271/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015999  -0.018114   0.092619
+    0SOL     H3    3  -0.013061  -0.086246  -0.039413
+    1SOL     O4    4   0.020840  -0.259631  -0.146124
+    1SOL     H5    5  -0.045194  -0.301856  -0.091179
+    1SOL     H6    6   0.103527  -0.299767  -0.119400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/272/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017350  -0.089663  -0.028666
+    0SOL     H3    3  -0.089040   0.018030  -0.030151
+    1SOL     O4    4  -0.022958  -0.023263   0.275537
+    1SOL     H5    5  -0.033889  -0.019957   0.180501
+    1SOL     H6    6   0.060682   0.020422   0.291608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/273/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090277   0.027327   0.016298
+    0SOL     H3    3   0.001677  -0.092704   0.023779
+    1SOL     O4    4  -0.010979  -0.252755   0.075365
+    1SOL     H5    5  -0.083215  -0.307167   0.044003
+    1SOL     H6    6   0.067126  -0.291402   0.035763
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/274/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080739   0.035243   0.037435
+    0SOL     H3    3   0.001837  -0.091334   0.028583
+    1SOL     O4    4   0.222746   0.173888   0.087177
+    1SOL     H5    5   0.167448   0.100967   0.059125
+    1SOL     H6    6   0.198236   0.246189   0.029434
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/275/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078436  -0.037532  -0.040018
+    0SOL     H3    3  -0.001344   0.092032  -0.026278
+    1SOL     O4    4   0.042236   0.028482   0.251838
+    1SOL     H5    5   0.029970   0.009332   0.158859
+    1SOL     H6    6   0.109956  -0.032909   0.280255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/276/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073981  -0.051543   0.032133
+    0SOL     H3    3   0.077153  -0.051625   0.023336
+    1SOL     O4    4   0.005768  -0.006024   0.435119
+    1SOL     H5    5   0.077877  -0.059412   0.401767
+    1SOL     H6    6   0.014697  -0.010410   0.530320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/277/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086568  -0.022217   0.034273
+    0SOL     H3    3   0.020247   0.084953   0.039184
+    1SOL     O4    4  -0.240192  -0.104161   0.071440
+    1SOL     H5    5  -0.261679  -0.091452   0.163847
+    1SOL     H6    6  -0.312303  -0.062667   0.024106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/278/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072714   0.044499   0.043530
+    0SOL     H3    3   0.003944  -0.086036   0.041768
+    1SOL     O4    4  -0.211696   0.329148   0.072664
+    1SOL     H5    5  -0.292680   0.375778   0.093389
+    1SOL     H6    6  -0.142556   0.382616   0.111691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/279/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044452   0.012948   0.083777
+    0SOL     H3    3  -0.008678   0.088090  -0.036430
+    1SOL     O4    4  -0.193734  -0.099367   0.315722
+    1SOL     H5    5  -0.224359  -0.085129   0.405286
+    1SOL     H6    6  -0.267284  -0.072523   0.260657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/280/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067210  -0.045920  -0.050364
+    0SOL     H3    3   0.074800  -0.059726   0.000247
+    1SOL     O4    4  -0.057999   0.015286   0.296126
+    1SOL     H5    5  -0.133526  -0.042734   0.305701
+    1SOL     H6    6  -0.039690   0.015539   0.202174
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/281/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016479   0.006909   0.094037
+    0SOL     H3    3   0.080626   0.049671  -0.013949
+    1SOL     O4    4   0.232934   0.134815  -0.096412
+    1SOL     H5    5   0.311766   0.092305  -0.062636
+    1SOL     H6    6   0.244505   0.227374  -0.074936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/282/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078321   0.049518  -0.024002
+    0SOL     H3    3   0.072896   0.056639  -0.025308
+    1SOL     O4    4  -0.214526   0.165292  -0.070796
+    1SOL     H5    5  -0.213044   0.152977  -0.165709
+    1SOL     H6    6  -0.294876   0.121831  -0.042208
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/283/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027740  -0.086605   0.029872
+    0SOL     H3    3   0.010440  -0.002935  -0.095104
+    1SOL     O4    4  -0.211236   0.156431   0.081186
+    1SOL     H5    5  -0.291904   0.113466   0.052744
+    1SOL     H6    6  -0.142290   0.092637   0.062772
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/284/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011067   0.004888   0.094952
+    0SOL     H3    3  -0.011783  -0.092688  -0.020794
+    1SOL     O4    4  -0.064098  -0.023953   0.291423
+    1SOL     H5    5  -0.142663   0.018341   0.326080
+    1SOL     H6    6   0.008338   0.029094   0.324611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/285/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011475   0.014679   0.093889
+    0SOL     H3    3   0.076966  -0.056569  -0.006215
+    1SOL     O4    4   0.057322   0.030288   0.276083
+    1SOL     H5    5   0.127601  -0.022934   0.313372
+    1SOL     H6    6   0.066319   0.115384   0.318977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/286/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000317   0.094710   0.013862
+    0SOL     H3    3   0.092470  -0.024469   0.003586
+    1SOL     O4    4  -0.205266  -0.148669   0.121480
+    1SOL     H5    5  -0.132226  -0.092128   0.096370
+    1SOL     H6    6  -0.281905  -0.108448   0.080602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/287/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003643  -0.001726   0.095635
+    0SOL     H3    3   0.076747   0.053544  -0.020130
+    1SOL     O4    4   0.011600  -0.001174   0.274797
+    1SOL     H5    5  -0.058586   0.055795   0.306273
+    1SOL     H6    6   0.090369   0.031544   0.318241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/288/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072383  -0.036900  -0.050610
+    0SOL     H3    3   0.078734  -0.029033  -0.046048
+    1SOL     O4    4   0.233291  -0.088793  -0.110409
+    1SOL     H5    5   0.244342  -0.109324  -0.203246
+    1SOL     H6    6   0.318191  -0.053888  -0.083278
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/289/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083324  -0.032247  -0.034345
+    0SOL     H3    3   0.006440   0.089652  -0.032915
+    1SOL     O4    4   0.041221   0.010164   0.304253
+    1SOL     H5    5   0.019727  -0.015197   0.214491
+    1SOL     H6    6   0.031654   0.105400   0.305226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/290/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081008  -0.050179   0.009060
+    0SOL     H3    3  -0.027572   0.091441   0.006367
+    1SOL     O4    4  -0.213180  -0.141648   0.053410
+    1SOL     H5    5  -0.221922  -0.232240   0.023762
+    1SOL     H6    6  -0.186405  -0.148857   0.145025
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/291/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070083   0.054211   0.036220
+    0SOL     H3    3   0.080599   0.045441   0.024521
+    1SOL     O4    4   0.251498   0.136523   0.064343
+    1SOL     H5    5   0.342377   0.106866   0.059465
+    1SOL     H6    6   0.254784   0.228423   0.037775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/292/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070405   0.053572   0.036545
+    0SOL     H3    3   0.079654   0.033996   0.040765
+    1SOL     O4    4   0.228250   0.115058   0.086680
+    1SOL     H5    5   0.306754   0.079742   0.044820
+    1SOL     H6    6   0.236456   0.209924   0.076913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/293/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010990  -0.000765  -0.095084
+    0SOL     H3    3   0.003758   0.092625   0.023848
+    1SOL     O4    4   0.227021  -0.130826   0.056989
+    1SOL     H5    5   0.151251  -0.074244   0.042166
+    1SOL     H6    6   0.301114  -0.081387   0.021941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/294/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012046  -0.019440  -0.092948
+    0SOL     H3    3   0.085231   0.032555   0.028952
+    1SOL     O4    4   0.231278   0.104763   0.081363
+    1SOL     H5    5   0.295407   0.059166   0.026859
+    1SOL     H6    6   0.250913   0.076130   0.170565
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/295/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033615  -0.003086   0.089570
+    0SOL     H3    3   0.063231   0.053908  -0.047519
+    1SOL     O4    4  -0.236829   0.120943  -0.088366
+    1SOL     H5    5  -0.240771   0.210002  -0.053505
+    1SOL     H6    6  -0.161131   0.081533  -0.045019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/296/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084954   0.015117   0.041433
+    0SOL     H3    3   0.019447  -0.004687  -0.093606
+    1SOL     O4    4  -0.073700   0.010006  -0.269811
+    1SOL     H5    5  -0.150912   0.064900  -0.283498
+    1SOL     H6    6  -0.001077   0.061563  -0.304885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/297/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071726  -0.054560   0.032263
+    0SOL     H3    3   0.078733  -0.038851   0.038132
+    1SOL     O4    4  -0.027507   0.286575   0.042345
+    1SOL     H5    5  -0.107175   0.311792  -0.004339
+    1SOL     H6    6  -0.022863   0.191500   0.032272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/298/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083795   0.038013  -0.026378
+    0SOL     H3    3   0.065739   0.059770  -0.035613
+    1SOL     O4    4  -0.075819   0.021529   0.265708
+    1SOL     H5    5  -0.046595   0.021471   0.174558
+    1SOL     H6    6  -0.082873  -0.071119   0.288708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/299/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085123  -0.030551  -0.031355
+    0SOL     H3    3   0.005471   0.090734  -0.029995
+    1SOL     O4    4  -0.235156  -0.117519  -0.067591
+    1SOL     H5    5  -0.227315  -0.102071  -0.161730
+    1SOL     H6    6  -0.305490  -0.059010  -0.039446
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/300/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000439   0.033640   0.089613
+    0SOL     H3    3   0.077084   0.039429  -0.040813
+    1SOL     O4    4  -0.208045   0.112077  -0.125646
+    1SOL     H5    5  -0.189474   0.129156  -0.217981
+    1SOL     H6    6  -0.135651   0.056675  -0.096455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/301/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079010  -0.041758   0.034293
+    0SOL     H3    3  -0.008474   0.091900   0.025396
+    1SOL     O4    4   0.222747  -0.136420   0.111332
+    1SOL     H5    5   0.141159  -0.088207   0.097871
+    1SOL     H6    6   0.215009  -0.213035   0.054476
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/302/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088562   0.017314   0.031928
+    0SOL     H3    3   0.010963  -0.094588   0.009755
+    1SOL     O4    4   0.223754   0.123387   0.047548
+    1SOL     H5    5   0.145010   0.073392   0.026054
+    1SOL     H6    6   0.292822   0.083210  -0.005157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/303/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001019   0.010727   0.095112
+    0SOL     H3    3   0.079950   0.043320  -0.029895
+    1SOL     O4    4   0.239937   0.113546  -0.079807
+    1SOL     H5    5   0.237552   0.108914  -0.175385
+    1SOL     H6    6   0.304249   0.047445  -0.054174
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/304/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068420   0.057953  -0.033503
+    0SOL     H3    3  -0.081654   0.047019  -0.016856
+    1SOL     O4    4  -0.022462  -0.266861  -0.077124
+    1SOL     H5    5   0.060354  -0.308053  -0.052488
+    1SOL     H6    6  -0.016249  -0.177861  -0.042445
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/305/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083537   0.039070   0.025642
+    0SOL     H3    3  -0.009428  -0.092866   0.021198
+    1SOL     O4    4   0.230229   0.148473   0.078818
+    1SOL     H5    5   0.145002   0.110182   0.058022
+    1SOL     H6    6   0.293113   0.094536   0.030873
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/306/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004149  -0.094120  -0.016928
+    0SOL     H3    3   0.065463   0.032626  -0.061746
+    1SOL     O4    4  -0.038382  -0.251793  -0.080162
+    1SOL     H5    5  -0.046886  -0.245900  -0.175321
+    1SOL     H6    6  -0.125913  -0.275698  -0.049680
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/307/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067932  -0.054383   0.039875
+    0SOL     H3    3   0.032095   0.089628   0.009952
+    1SOL     O4    4   0.202053  -0.157631   0.113402
+    1SOL     H5    5   0.198374  -0.118097   0.200499
+    1SOL     H6    6   0.270058  -0.108315   0.067515
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/308/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016689   0.018060  -0.092507
+    0SOL     H3    3  -0.067533   0.049265   0.046633
+    1SOL     O4    4   0.239010   0.112491   0.079668
+    1SOL     H5    5   0.160423   0.072367   0.042567
+    1SOL     H6    6   0.309038   0.088810   0.018860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/309/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006869  -0.010316  -0.094914
+    0SOL     H3    3   0.018202   0.092696   0.015445
+    1SOL     O4    4  -0.197914  -0.145459   0.106986
+    1SOL     H5    5  -0.189015  -0.131922   0.201325
+    1SOL     H6    6  -0.122059  -0.101035   0.069106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/310/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002918  -0.077540  -0.056048
+    0SOL     H3    3   0.075282   0.052334  -0.027497
+    1SOL     O4    4  -0.442993  -0.016290  -0.019322
+    1SOL     H5    5  -0.509258   0.026324  -0.073684
+    1SOL     H6    6  -0.434344  -0.104096  -0.056439
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/311/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025006   0.000644  -0.092394
+    0SOL     H3    3   0.024463  -0.090851   0.017608
+    1SOL     O4    4   0.025375  -0.246636   0.087499
+    1SOL     H5    5  -0.003964  -0.218677   0.174217
+    1SOL     H6    6   0.112646  -0.283071   0.102282
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/312/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009234   0.009099   0.094838
+    0SOL     H3    3   0.080654   0.037237  -0.035647
+    1SOL     O4    4   0.259806   0.121511  -0.077191
+    1SOL     H5    5   0.222167   0.113330  -0.164819
+    1SOL     H6    6   0.222253   0.202390  -0.042396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/313/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010157   0.020226  -0.093006
+    0SOL     H3    3  -0.081956  -0.049195   0.005050
+    1SOL     O4    4   0.003467   0.049418  -0.286521
+    1SOL     H5    5   0.076535  -0.011670  -0.296095
+    1SOL     H6    6   0.037900   0.133099  -0.317732
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/314/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001548   0.094121  -0.017352
+    0SOL     H3    3   0.069867  -0.035668  -0.054851
+    1SOL     O4    4   0.234348  -0.124356  -0.093416
+    1SOL     H5    5   0.230836  -0.208724  -0.048338
+    1SOL     H6    6   0.300963  -0.074575  -0.046018
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/315/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073580  -0.048193  -0.037759
+    0SOL     H3    3  -0.002568   0.085400  -0.043157
+    1SOL     O4    4  -0.254558  -0.124984  -0.062287
+    1SOL     H5    5  -0.258142  -0.124997  -0.157940
+    1SOL     H6    6  -0.273671  -0.215453  -0.037543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/316/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002152   0.011457  -0.095007
+    0SOL     H3    3  -0.026743   0.085437   0.033876
+    1SOL     O4    4   0.216130  -0.121168   0.141117
+    1SOL     H5    5   0.145261  -0.081803   0.090222
+    1SOL     H6    6   0.295828  -0.097141   0.093861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/317/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003733   0.008105   0.095303
+    0SOL     H3    3   0.081592  -0.047110  -0.016901
+    1SOL     O4    4   0.250212  -0.106653  -0.050609
+    1SOL     H5    5   0.261433  -0.101564  -0.145533
+    1SOL     H6    6   0.276016  -0.196052  -0.028152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/318/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008918  -0.025133  -0.091930
+    0SOL     H3    3  -0.069261  -0.048425   0.044947
+    1SOL     O4    4   0.228761  -0.150907   0.051046
+    1SOL     H5    5   0.157284  -0.087921   0.041765
+    1SOL     H6    6   0.302707  -0.110102   0.005998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/319/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051417  -0.064228  -0.048923
+    0SOL     H3    3  -0.012297   0.082016  -0.047796
+    1SOL     O4    4   0.009695   0.240586  -0.122874
+    1SOL     H5    5  -0.052984   0.295603  -0.075898
+    1SOL     H6    6   0.095428   0.271694  -0.093814
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/320/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070138  -0.049369  -0.042493
+    0SOL     H3    3  -0.010382   0.089380  -0.032645
+    1SOL     O4    4  -0.032260   0.031352   0.269519
+    1SOL     H5    5  -0.015655   0.054292   0.178084
+    1SOL     H6    6   0.034579  -0.033904   0.290409
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/321/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077671  -0.046325  -0.031360
+    0SOL     H3    3  -0.011312   0.089746  -0.031304
+    1SOL     O4    4  -0.209939  -0.159799  -0.094127
+    1SOL     H5    5  -0.203057  -0.130154  -0.184881
+    1SOL     H6    6  -0.190826  -0.253512  -0.097977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/322/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000148  -0.024572  -0.092512
+    0SOL     H3    3  -0.012578  -0.082578   0.046744
+    1SOL     O4    4  -0.249552   0.113087   0.071874
+    1SOL     H5    5  -0.319736   0.070300   0.022827
+    1SOL     H6    6  -0.168954   0.080292   0.031988
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/323/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044632  -0.018769  -0.082571
+    0SOL     H3    3   0.072322  -0.062634   0.002966
+    1SOL     O4    4  -0.086407  -0.060113  -0.233574
+    1SOL     H5    5  -0.158669  -0.115813  -0.262524
+    1SOL     H6    6  -0.007538  -0.107177  -0.260538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/324/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008235  -0.002058   0.095343
+    0SOL     H3    3  -0.064696   0.064627  -0.028286
+    1SOL     O4    4  -0.015746  -0.248941  -0.094830
+    1SOL     H5    5  -0.098806  -0.287901  -0.067528
+    1SOL     H6    6  -0.022591  -0.157101  -0.068735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/325/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002699   0.004262   0.095587
+    0SOL     H3    3  -0.086483  -0.032509  -0.025024
+    1SOL     O4    4   0.190974  -0.142601  -0.166229
+    1SOL     H5    5   0.117454  -0.112409  -0.112885
+    1SOL     H6    6   0.266797  -0.095771  -0.131297
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/326/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080612  -0.037617  -0.035340
+    0SOL     H3    3  -0.070017  -0.052323  -0.039016
+    1SOL     O4    4   0.029682   0.247631  -0.058123
+    1SOL     H5    5   0.109746   0.276563  -0.014363
+    1SOL     H6    6   0.027719   0.152919  -0.044408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/327/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015317   0.008476   0.094106
+    0SOL     H3    3   0.000874  -0.094360  -0.016054
+    1SOL     O4    4  -0.207600   0.144126  -0.114457
+    1SOL     H5    5  -0.121210   0.111086  -0.089810
+    1SOL     H6    6  -0.214587   0.228582  -0.069952
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/328/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009458  -0.091438  -0.026684
+    0SOL     H3    3   0.085047   0.039516  -0.019177
+    1SOL     O4    4  -0.245910   0.147678  -0.081219
+    1SOL     H5    5  -0.258425   0.149279  -0.176104
+    1SOL     H6    6  -0.162670   0.102090  -0.068757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/329/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083247   0.045488   0.012771
+    0SOL     H3    3   0.066535   0.067488   0.013446
+    1SOL     O4    4  -0.013272  -0.036000  -0.274683
+    1SOL     H5    5  -0.003504  -0.000082  -0.186497
+    1SOL     H6    6  -0.070062   0.026417  -0.319865
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/330/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074879  -0.049266  -0.033589
+    0SOL     H3    3   0.017045   0.090450  -0.026278
+    1SOL     O4    4  -0.225128  -0.106607  -0.057841
+    1SOL     H5    5  -0.301706  -0.049820  -0.049270
+    1SOL     H6    6  -0.151693  -0.052374  -0.029060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/331/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073747  -0.048766  -0.036683
+    0SOL     H3    3  -0.003236   0.085007  -0.043882
+    1SOL     O4    4   0.002636  -0.057895   0.265703
+    1SOL     H5    5  -0.024413  -0.041044   0.175444
+    1SOL     H6    6  -0.077192  -0.087279   0.309592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/332/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007449  -0.089822   0.032231
+    0SOL     H3    3   0.085823   0.029410   0.030525
+    1SOL     O4    4   0.245524   0.111688  -0.011804
+    1SOL     H5    5   0.338091   0.088531  -0.019377
+    1SOL     H6    6   0.235313   0.188464  -0.068049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/333/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089347  -0.027769   0.020206
+    0SOL     H3    3   0.004259   0.095619  -0.001110
+    1SOL     O4    4   0.026329  -0.011326  -0.271109
+    1SOL     H5    5   0.005898  -0.014536  -0.177650
+    1SOL     H6    6  -0.052236  -0.045207  -0.314027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/334/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026566   0.031466  -0.086408
+    0SOL     H3    3  -0.079746  -0.037382   0.037490
+    1SOL     O4    4   0.173146  -0.122448   0.315890
+    1SOL     H5    5   0.212469  -0.182009   0.379674
+    1SOL     H6    6   0.184576  -0.166508   0.231686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/335/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001997  -0.001014  -0.095694
+    0SOL     H3    3   0.019859   0.090651   0.023459
+    1SOL     O4    4   0.156346  -0.157418   0.372312
+    1SOL     H5    5   0.159241  -0.166352   0.277054
+    1SOL     H6    6   0.081502  -0.100062   0.388773
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/336/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083538  -0.043700   0.016553
+    0SOL     H3    3   0.004498   0.007873  -0.095290
+    1SOL     O4    4  -0.012023   0.266943   0.094401
+    1SOL     H5    5  -0.095285   0.304111   0.065276
+    1SOL     H6    6  -0.009777   0.179576   0.055358
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/337/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066692  -0.055041  -0.041050
+    0SOL     H3    3   0.018316   0.088156  -0.032485
+    1SOL     O4    4  -0.237044  -0.094129  -0.117628
+    1SOL     H5    5  -0.251169  -0.180859  -0.079670
+    1SOL     H6    6  -0.155906  -0.063222  -0.077333
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/338/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003344   0.048450   0.082485
+    0SOL     H3    3  -0.081444   0.028616  -0.041356
+    1SOL     O4    4  -0.235578   0.289047  -0.033263
+    1SOL     H5    5  -0.245250   0.208416  -0.083934
+    1SOL     H6    6  -0.297639   0.350042  -0.073142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/339/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066933  -0.038492   0.056574
+    0SOL     H3    3   0.004291   0.091761   0.026904
+    1SOL     O4    4   0.258715  -0.093083   0.069808
+    1SOL     H5    5   0.279799  -0.095327   0.163150
+    1SOL     H6    6   0.170637  -0.055800   0.065990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/340/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070535   0.037905  -0.052445
+    0SOL     H3    3   0.022521  -0.081292  -0.045241
+    1SOL     O4    4  -0.013965  -0.047437   0.276620
+    1SOL     H5    5   0.003198  -0.037351   0.182992
+    1SOL     H6    6  -0.011416  -0.141969   0.291438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/341/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028752  -0.087574   0.025814
+    0SOL     H3    3   0.079522   0.053199   0.002916
+    1SOL     O4    4   0.003789  -0.265149   0.073917
+    1SOL     H5    5   0.005876  -0.248400   0.168137
+    1SOL     H6    6   0.092405  -0.294531   0.052797
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/342/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012593   0.025361  -0.091436
+    0SOL     H3    3  -0.015342   0.080448   0.049549
+    1SOL     O4    4   0.231366  -0.101003   0.078977
+    1SOL     H5    5   0.205841  -0.100035   0.171226
+    1SOL     H6    6   0.153168  -0.071797   0.032132
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/343/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004223  -0.028826   0.091179
+    0SOL     H3    3  -0.083544   0.046236  -0.006707
+    1SOL     O4    4   0.019270  -0.070820   0.279431
+    1SOL     H5    5  -0.055097  -0.018091   0.308612
+    1SOL     H6    6   0.094382  -0.034355   0.326238
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/344/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030839  -0.007315  -0.090320
+    0SOL     H3    3  -0.007136  -0.090508   0.030327
+    1SOL     O4    4  -0.021269  -0.025279  -0.277287
+    1SOL     H5    5  -0.003868  -0.119358  -0.280245
+    1SOL     H6    6   0.056254   0.014716  -0.316693
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/345/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080044  -0.029965   0.043098
+    0SOL     H3    3  -0.020609   0.083119   0.042765
+    1SOL     O4    4   0.195352  -0.144016   0.091597
+    1SOL     H5    5   0.177947  -0.238138   0.092229
+    1SOL     H6    6   0.280505  -0.135645   0.048687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/346/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075213  -0.056166   0.018728
+    0SOL     H3    3   0.074475  -0.045864   0.038889
+    1SOL     O4    4   0.249079  -0.067781   0.081174
+    1SOL     H5    5   0.269803  -0.059146   0.174224
+    1SOL     H6    6   0.234634  -0.161539   0.068405
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/347/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008083   0.089413  -0.033201
+    0SOL     H3    3  -0.012613   0.010467   0.094306
+    1SOL     O4    4   0.009162   0.264056  -0.107251
+    1SOL     H5    5  -0.059949   0.319986  -0.071787
+    1SOL     H6    6   0.090600   0.306781  -0.080703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/348/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015924   0.043570  -0.083728
+    0SOL     H3    3  -0.081716   0.038347   0.031849
+    1SOL     O4    4   0.242578   0.127666   0.098658
+    1SOL     H5    5   0.262081   0.104970   0.189580
+    1SOL     H6    6   0.176727   0.063703   0.071552
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/349/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075828  -0.042579  -0.039993
+    0SOL     H3    3  -0.004335   0.085828  -0.042156
+    1SOL     O4    4   0.222021  -0.180753  -0.066121
+    1SOL     H5    5   0.216111  -0.160549  -0.159498
+    1SOL     H6    6   0.307499  -0.146813  -0.039587
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/350/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009350   0.094319  -0.013371
+    0SOL     H3    3  -0.003357  -0.010543   0.095078
+    1SOL     O4    4   0.013589   0.035453   0.282850
+    1SOL     H5    5   0.019054   0.129792   0.298100
+    1SOL     H6    6   0.092161  -0.000155   0.324335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/351/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069957  -0.047356  -0.045008
+    0SOL     H3    3   0.016903   0.076200  -0.055409
+    1SOL     O4    4   0.010899   0.241690  -0.134624
+    1SOL     H5    5   0.004649   0.245667  -0.230057
+    1SOL     H6    6  -0.065156   0.290791  -0.103527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/352/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024831  -0.001387   0.092433
+    0SOL     H3    3  -0.074777   0.040059  -0.044339
+    1SOL     O4    4  -0.080710  -0.016431   0.258251
+    1SOL     H5    5  -0.169855   0.013664   0.275848
+    1SOL     H6    6  -0.068548  -0.091057   0.316948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/353/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003752   0.024108   0.092558
+    0SOL     H3    3  -0.082948   0.036398  -0.030936
+    1SOL     O4    4  -0.050916  -0.012236   0.281538
+    1SOL     H5    5  -0.047077  -0.105391   0.303210
+    1SOL     H6    6   0.018623   0.027486   0.333967
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/354/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069079  -0.045482  -0.048185
+    0SOL     H3    3   0.003507   0.090041  -0.032289
+    1SOL     O4    4   0.006875   0.260874  -0.056162
+    1SOL     H5    5   0.007892   0.265771  -0.151751
+    1SOL     H6    6   0.068022   0.328918  -0.027994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/355/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001403  -0.018231  -0.093957
+    0SOL     H3    3  -0.064379  -0.060332   0.037117
+    1SOL     O4    4  -0.017087   0.262485   0.115136
+    1SOL     H5    5  -0.102577   0.282671   0.077106
+    1SOL     H6    6   0.005541   0.176722   0.079152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/356/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005256  -0.013892   0.094561
+    0SOL     H3    3   0.000930  -0.088192  -0.037197
+    1SOL     O4    4   0.253369   0.108231  -0.078207
+    1SOL     H5    5   0.232795   0.198979  -0.055760
+    1SOL     H6    6   0.182059   0.057243  -0.039770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/357/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018880  -0.093464  -0.008389
+    0SOL     H3    3   0.033212   0.009860   0.089230
+    1SOL     O4    4  -0.206032   0.142330  -0.077441
+    1SOL     H5    5  -0.136507   0.092431  -0.034562
+    1SOL     H6    6  -0.187501   0.133819  -0.170964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/358/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011938   0.013282  -0.094039
+    0SOL     H3    3   0.020429   0.084983   0.039024
+    1SOL     O4    4  -0.212497  -0.157405   0.081569
+    1SOL     H5    5  -0.282329  -0.094656   0.062906
+    1SOL     H6    6  -0.132191  -0.112487   0.055193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/359/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085995   0.033078   0.025941
+    0SOL     H3    3  -0.062151   0.052960   0.049948
+    1SOL     O4    4   0.023738  -0.283843   0.057051
+    1SOL     H5    5  -0.042505  -0.337666   0.013724
+    1SOL     H6    6  -0.006597  -0.193899   0.044717
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/360/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078036  -0.034027   0.043760
+    0SOL     H3    3   0.020040  -0.006603  -0.093365
+    1SOL     O4    4   0.194476  -0.140765   0.130423
+    1SOL     H5    5   0.188410  -0.148213   0.225659
+    1SOL     H6    6   0.286048  -0.118322   0.113891
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/361/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006519  -0.004437  -0.095395
+    0SOL     H3    3   0.006995   0.093298   0.020220
+    1SOL     O4    4   0.202703  -0.117267   0.130916
+    1SOL     H5    5   0.129088  -0.068762   0.093628
+    1SOL     H6    6   0.202802  -0.200634   0.083881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/362/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072623   0.030722   0.054263
+    0SOL     H3    3   0.063208   0.071865   0.001573
+    1SOL     O4    4  -0.028116   0.049748  -0.277641
+    1SOL     H5    5  -0.024548   0.031483  -0.183747
+    1SOL     H6    6  -0.022100  -0.036328  -0.319078
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/363/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068614   0.058007   0.033009
+    0SOL     H3    3   0.081140   0.035988   0.035826
+    1SOL     O4    4   0.245632   0.113876   0.120571
+    1SOL     H5    5   0.299321   0.055917   0.066528
+    1SOL     H6    6   0.256099   0.200304   0.080785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/364/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071927  -0.051858  -0.036049
+    0SOL     H3    3  -0.020984   0.090208  -0.024177
+    1SOL     O4    4  -0.074285  -0.039928   0.298595
+    1SOL     H5    5  -0.053586  -0.033660   0.205350
+    1SOL     H6    6  -0.003275  -0.092470   0.335463
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/365/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013794  -0.020577  -0.092459
+    0SOL     H3    3   0.066289  -0.051353   0.046164
+    1SOL     O4    4  -0.064265   0.270814   0.056773
+    1SOL     H5    5  -0.097482   0.265968   0.146414
+    1SOL     H6    6  -0.045969   0.179913   0.033012
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/366/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067206   0.050508  -0.045767
+    0SOL     H3    3  -0.078338   0.054834  -0.004326
+    1SOL     O4    4   0.022299   0.083596   0.284089
+    1SOL     H5    5   0.039481   0.064489   0.191883
+    1SOL     H6    6   0.107887   0.106755   0.320152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/367/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075149  -0.057887  -0.012806
+    0SOL     H3    3  -0.032114   0.086788  -0.024470
+    1SOL     O4    4  -0.235727  -0.151503  -0.042184
+    1SOL     H5    5  -0.216766  -0.153660  -0.135982
+    1SOL     H6    6  -0.227694  -0.242618  -0.013974
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/368/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087397   0.037237   0.011726
+    0SOL     H3    3  -0.014537  -0.094521  -0.004092
+    1SOL     O4    4  -0.224162   0.131184   0.044981
+    1SOL     H5    5  -0.255052   0.155409   0.132281
+    1SOL     H6    6  -0.212279   0.214677  -0.000296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/369/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005774  -0.012345   0.094745
+    0SOL     H3    3  -0.073982  -0.049494  -0.035203
+    1SOL     O4    4  -0.189613  -0.145946  -0.116081
+    1SOL     H5    5  -0.210469  -0.153592  -0.209188
+    1SOL     H6    6  -0.192946  -0.235809  -0.083282
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/370/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003211  -0.005295   0.095520
+    0SOL     H3    3  -0.078278   0.049621  -0.023930
+    1SOL     O4    4   0.232162   0.124551  -0.092002
+    1SOL     H5    5   0.153610   0.074414  -0.070133
+    1SOL     H6    6   0.215841   0.211687  -0.055901
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/371/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081940  -0.034513  -0.035454
+    0SOL     H3    3  -0.002185   0.091188  -0.029023
+    1SOL     O4    4   0.216353  -0.138559  -0.147016
+    1SOL     H5    5   0.300588  -0.114922  -0.108181
+    1SOL     H6    6   0.207846  -0.232469  -0.130558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/372/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054790  -0.015008  -0.077040
+    0SOL     H3    3   0.083552  -0.041447  -0.021529
+    1SOL     O4    4  -0.023045  -0.029299  -0.284047
+    1SOL     H5    5  -0.080892   0.027873  -0.334520
+    1SOL     H6    6  -0.023876  -0.112341  -0.331646
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/373/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002850   0.094914   0.012066
+    0SOL     H3    3  -0.075774  -0.032647   0.048527
+    1SOL     O4    4  -0.019625   0.271029   0.064291
+    1SOL     H5    5   0.070596   0.302961   0.062616
+    1SOL     H6    6  -0.028837   0.229620   0.150097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/374/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004510   0.032574   0.089894
+    0SOL     H3    3  -0.085253  -0.040844  -0.015031
+    1SOL     O4    4   0.007805   0.045414  -0.390552
+    1SOL     H5    5  -0.005838   0.136077  -0.363050
+    1SOL     H6    6  -0.077704   0.003848  -0.379469
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/375/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005896   0.006397  -0.095324
+    0SOL     H3    3  -0.005193  -0.093845   0.018122
+    1SOL     O4    4   0.233035   0.116853   0.076023
+    1SOL     H5    5   0.149453   0.077831   0.050455
+    1SOL     H6    6   0.226912   0.207858   0.046990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/376/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019230  -0.086558   0.036058
+    0SOL     H3    3   0.006937  -0.011405  -0.094785
+    1SOL     O4    4  -0.026524   0.022453  -0.278369
+    1SOL     H5    5  -0.093383   0.060942  -0.335034
+    1SOL     H6    6  -0.019693  -0.068431  -0.307622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/377/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051319   0.071013  -0.038546
+    0SOL     H3    3  -0.088162   0.012253  -0.035208
+    1SOL     O4    4   0.041385  -0.287703  -0.114320
+    1SOL     H5    5   0.044096  -0.204214  -0.067580
+    1SOL     H6    6  -0.034369  -0.333292  -0.077642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/378/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081811   0.041133  -0.027880
+    0SOL     H3    3  -0.013392  -0.093400  -0.016105
+    1SOL     O4    4   0.256437   0.117133  -0.037315
+    1SOL     H5    5   0.273908   0.132137  -0.130223
+    1SOL     H6    6   0.177343   0.063233  -0.036167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/379/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004679   0.004465  -0.095501
+    0SOL     H3    3   0.070672  -0.062088   0.017689
+    1SOL     O4    4   0.158125  -0.180682   0.334081
+    1SOL     H5    5   0.166643  -0.163842   0.240240
+    1SOL     H6    6   0.173566  -0.274718   0.343086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/380/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019475  -0.090613  -0.023922
+    0SOL     H3    3  -0.084136   0.045169  -0.006570
+    1SOL     O4    4  -0.225672   0.124887  -0.081112
+    1SOL     H5    5  -0.197284   0.110530  -0.171391
+    1SOL     H6    6  -0.217632   0.219386  -0.068166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/381/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084427  -0.029683  -0.033960
+    0SOL     H3    3  -0.063751  -0.060437  -0.038021
+    1SOL     O4    4  -0.016600  -0.010228   0.305602
+    1SOL     H5    5   0.075994   0.002873   0.326023
+    1SOL     H6    6  -0.020591  -0.008317   0.209984
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/382/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004809   0.009165   0.095159
+    0SOL     H3    3   0.068967   0.057499  -0.033163
+    1SOL     O4    4   0.233131   0.142985  -0.073107
+    1SOL     H5    5   0.234297   0.149093  -0.168625
+    1SOL     H6    6   0.223603   0.233474  -0.043387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/383/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023681  -0.033187   0.086603
+    0SOL     H3    3   0.082188   0.032917  -0.036385
+    1SOL     O4    4  -0.201666   0.077490  -0.162421
+    1SOL     H5    5  -0.184512   0.075955  -0.256579
+    1SOL     H6    6  -0.117097   0.057490  -0.122291
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/384/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078746  -0.027686  -0.046849
+    0SOL     H3    3   0.009015   0.092942  -0.021043
+    1SOL     O4    4   0.058991   0.265658  -0.095138
+    1SOL     H5    5   0.057624   0.226932  -0.182664
+    1SOL     H6    6  -0.029139   0.301045  -0.083173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/385/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076824   0.056964  -0.003920
+    0SOL     H3    3   0.074537   0.059928  -0.003898
+    1SOL     O4    4  -0.004958  -0.262532   0.102200
+    1SOL     H5    5   0.000746  -0.177419   0.058776
+    1SOL     H6    6   0.077855  -0.305741   0.081287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/386/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014372  -0.084701  -0.042209
+    0SOL     H3    3   0.078694   0.050579  -0.020280
+    1SOL     O4    4   0.019422   0.033916   0.281893
+    1SOL     H5    5   0.028255   0.039432   0.186742
+    1SOL     H6    6   0.103377   0.065141   0.315640
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/387/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069676   0.050145   0.042345
+    0SOL     H3    3   0.080307   0.029559   0.042888
+    1SOL     O4    4  -0.022528  -0.064815  -0.269329
+    1SOL     H5    5  -0.008776  -0.053952  -0.175227
+    1SOL     H6    6  -0.108626  -0.026286  -0.285606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/388/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094342   0.008143   0.013987
+    0SOL     H3    3  -0.020308  -0.090085   0.025190
+    1SOL     O4    4  -0.234171   0.106465   0.069224
+    1SOL     H5    5  -0.242343   0.094155   0.163797
+    1SOL     H6    6  -0.140670   0.095938   0.051644
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/389/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000435  -0.034634  -0.089233
+    0SOL     H3    3  -0.066267  -0.051909   0.045568
+    1SOL     O4    4  -0.189691  -0.107418   0.162925
+    1SOL     H5    5  -0.212466  -0.100902   0.255667
+    1SOL     H6    6  -0.267362  -0.075683   0.116853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/390/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020960   0.009799  -0.092881
+    0SOL     H3    3   0.029134   0.081959   0.039953
+    1SOL     O4    4   0.045194   0.055603  -0.256968
+    1SOL     H5    5   0.117256   0.027063  -0.313137
+    1SOL     H6    6   0.030083   0.146804  -0.281797
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/391/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025526   0.016711   0.090728
+    0SOL     H3    3   0.060368  -0.074093   0.005312
+    1SOL     O4    4  -0.298410  -0.356658  -0.018748
+    1SOL     H5    5  -0.218783  -0.404003  -0.042836
+    1SOL     H6    6  -0.282934  -0.266992  -0.048460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/392/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080011   0.044983   0.027150
+    0SOL     H3    3   0.002992  -0.084014   0.045771
+    1SOL     O4    4   0.148678   0.183735  -0.326671
+    1SOL     H5    5   0.060800   0.149489  -0.310328
+    1SOL     H6    6   0.141431   0.277618  -0.309475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/393/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075965   0.057936  -0.005924
+    0SOL     H3    3   0.074191   0.055071  -0.025005
+    1SOL     O4    4   0.240701   0.114945  -0.070167
+    1SOL     H5    5   0.312977   0.072298  -0.024127
+    1SOL     H6    6   0.246625   0.206884  -0.044197
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/394/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020016  -0.019741   0.091499
+    0SOL     H3    3  -0.001723   0.095617  -0.004100
+    1SOL     O4    4   0.026443   0.024849   0.276696
+    1SOL     H5    5   0.022885   0.118617   0.295595
+    1SOL     H6    6   0.096175  -0.008396   0.333217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/395/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053132  -0.065916  -0.044658
+    0SOL     H3    3   0.083991  -0.001769  -0.045878
+    1SOL     O4    4  -0.229977  -0.174627  -0.074801
+    1SOL     H5    5  -0.298462  -0.118110  -0.039053
+    1SOL     H6    6  -0.242005  -0.258278  -0.029853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/396/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074114  -0.052000  -0.031070
+    0SOL     H3    3  -0.012916   0.086209  -0.039540
+    1SOL     O4    4  -0.032229   0.049323   0.288157
+    1SOL     H5    5  -0.004055   0.063869   0.197842
+    1SOL     H6    6   0.038064  -0.002645   0.327151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/397/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078989  -0.021619   0.049555
+    0SOL     H3    3  -0.024731  -0.082013  -0.042714
+    1SOL     O4    4  -0.013056  -0.280703  -0.117350
+    1SOL     H5    5  -0.013399  -0.285326  -0.212957
+    1SOL     H6    6  -0.096269  -0.320072  -0.091120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/398/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005912   0.093180  -0.021093
+    0SOL     H3    3   0.073987  -0.031687  -0.051810
+    1SOL     O4    4   0.265116  -0.023337  -0.092781
+    1SOL     H5    5   0.250471  -0.023939  -0.187373
+    1SOL     H6    6   0.291313  -0.113022  -0.071982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/399/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001282   0.029403  -0.091083
+    0SOL     H3    3   0.060455   0.059963   0.043726
+    1SOL     O4    4   0.022402   0.059988  -0.283383
+    1SOL     H5    5  -0.056560   0.096781  -0.323051
+    1SOL     H6    6   0.093794   0.113661  -0.317801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/400/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000675  -0.090011   0.032555
+    0SOL     H3    3   0.068828   0.044061   0.049836
+    1SOL     O4    4   0.016781  -0.019531   0.421857
+    1SOL     H5    5   0.013760  -0.051665   0.511972
+    1SOL     H6    6  -0.066381   0.026342   0.409936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/401/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020597   0.045273   0.081783
+    0SOL     H3    3  -0.073525   0.049063  -0.036731
+    1SOL     O4    4   0.235629   0.117082  -0.071493
+    1SOL     H5    5   0.152334   0.072035  -0.057526
+    1SOL     H6    6   0.298608   0.067990  -0.018710
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/402/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084363  -0.043498  -0.012378
+    0SOL     H3    3  -0.053196  -0.029307  -0.073984
+    1SOL     O4    4   0.194957   0.356671   0.284413
+    1SOL     H5    5   0.125283   0.309505   0.330056
+    1SOL     H6    6   0.185431   0.447423   0.313321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/403/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055637   0.035413  -0.069374
+    0SOL     H3    3   0.023766  -0.087520  -0.030623
+    1SOL     O4    4   0.081509  -0.253431  -0.049342
+    1SOL     H5    5   0.052615  -0.263263  -0.140066
+    1SOL     H6    6   0.155557  -0.313524  -0.041092
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/404/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017055  -0.078793  -0.051605
+    0SOL     H3    3  -0.061292   0.064967  -0.034424
+    1SOL     O4    4  -0.002710   0.054733   0.268195
+    1SOL     H5    5  -0.001824   0.035825   0.174365
+    1SOL     H6    6  -0.089897   0.090666   0.284613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/405/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013093   0.003498  -0.094756
+    0SOL     H3    3   0.075597   0.046078   0.036390
+    1SOL     O4    4   0.004414  -0.272597   0.078022
+    1SOL     H5    5   0.003720  -0.272445   0.173739
+    1SOL     H6    6   0.008542  -0.180057   0.053905
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/406/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008285   0.001242   0.095353
+    0SOL     H3    3  -0.087416  -0.023145  -0.031386
+    1SOL     O4    4   0.041531  -0.010497   0.267791
+    1SOL     H5    5   0.123674  -0.055452   0.287639
+    1SOL     H6    6   0.061416   0.082334   0.280013
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/407/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080689  -0.042780  -0.028662
+    0SOL     H3    3  -0.069824  -0.059047  -0.028292
+    1SOL     O4    4   0.200306  -0.170596  -0.054162
+    1SOL     H5    5   0.232813  -0.196232  -0.140466
+    1SOL     H6    6   0.203531  -0.251066  -0.002427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/408/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048761  -0.076237  -0.031187
+    0SOL     H3    3  -0.012989  -0.016388   0.093408
+    1SOL     O4    4  -0.026640  -0.037968   0.265605
+    1SOL     H5    5   0.024783  -0.086479   0.330139
+    1SOL     H6    6  -0.035331   0.049765   0.302884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/409/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003732   0.007865   0.095323
+    0SOL     H3    3   0.081959  -0.043381  -0.023728
+    1SOL     O4    4   0.058980   0.276755  -0.063007
+    1SOL     H5    5   0.052261   0.186270  -0.032517
+    1SOL     H6    6  -0.018953   0.319782  -0.027829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/410/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012909  -0.090161   0.029441
+    0SOL     H3    3   0.013656  -0.007321  -0.094458
+    1SOL     O4    4  -0.035354  -0.267972   0.075531
+    1SOL     H5    5   0.027854  -0.331886   0.042636
+    1SOL     H6    6  -0.120673  -0.303829   0.051093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/411/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007406   0.019604   0.093398
+    0SOL     H3    3   0.032446   0.081144  -0.039055
+    1SOL     O4    4   0.059215   0.256021  -0.143818
+    1SOL     H5    5   0.032553   0.230486  -0.232132
+    1SOL     H6    6   0.138683   0.307785  -0.156765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/412/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006960  -0.013764  -0.094469
+    0SOL     H3    3   0.087521   0.036683   0.012524
+    1SOL     O4    4   0.042006   0.457049   0.055691
+    1SOL     H5    5   0.045135   0.458777   0.151344
+    1SOL     H6    6   0.132354   0.440064   0.029027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/413/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073542  -0.042208  -0.044411
+    0SOL     H3    3   0.074730  -0.014805  -0.057954
+    1SOL     O4    4   0.230818  -0.117064  -0.106206
+    1SOL     H5    5   0.294703  -0.068202  -0.054307
+    1SOL     H6    6   0.248965  -0.208922  -0.086325
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/414/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080714  -0.048017  -0.018495
+    0SOL     H3    3   0.017607   0.089090  -0.030253
+    1SOL     O4    4  -0.241137  -0.131574  -0.080883
+    1SOL     H5    5  -0.173322  -0.078711  -0.038822
+    1SOL     H6    6  -0.225487  -0.120491  -0.174662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/415/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077607   0.054042   0.014797
+    0SOL     H3    3   0.073109   0.054525   0.029058
+    1SOL     O4    4  -0.234838   0.099867   0.065123
+    1SOL     H5    5  -0.305832   0.042722   0.035856
+    1SOL     H6    6  -0.248916   0.181829   0.017728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/416/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004327  -0.084960   0.043879
+    0SOL     H3    3   0.005991  -0.020811  -0.093238
+    1SOL     O4    4  -0.013972  -0.068207  -0.276450
+    1SOL     H5    5  -0.087306  -0.009006  -0.293172
+    1SOL     H6    6   0.063305  -0.019239  -0.304608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/417/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023792   0.014602   0.091559
+    0SOL     H3    3   0.005167   0.086689  -0.040258
+    1SOL     O4    4  -0.197291  -0.101498  -0.111153
+    1SOL     H5    5  -0.121670  -0.061495  -0.068218
+    1SOL     H6    6  -0.163533  -0.132580  -0.195157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/418/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080090   0.048237   0.020520
+    0SOL     H3    3  -0.012702  -0.030493  -0.089840
+    1SOL     O4    4   0.193728   0.167016   0.100232
+    1SOL     H5    5   0.134156   0.239797   0.118020
+    1SOL     H6    6   0.137411   0.097846   0.065500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/419/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071685  -0.048215   0.041217
+    0SOL     H3    3   0.079370  -0.039659   0.035916
+    1SOL     O4    4  -0.194880  -0.183221   0.083559
+    1SOL     H5    5  -0.285102  -0.154247   0.070041
+    1SOL     H6    6  -0.190235  -0.268348   0.040037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/420/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084560  -0.040701   0.018853
+    0SOL     H3    3   0.064606  -0.065132   0.027317
+    1SOL     O4    4   0.029863   0.259510   0.096479
+    1SOL     H5    5   0.110460   0.290792   0.055394
+    1SOL     H6    6   0.026341   0.166394   0.074585
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/421/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066743  -0.051336  -0.045523
+    0SOL     H3    3   0.017112  -0.015395   0.092911
+    1SOL     O4    4   0.288885   0.286057   0.213031
+    1SOL     H5    5   0.292813   0.288818   0.117431
+    1SOL     H6    6   0.298011   0.377423   0.240074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/422/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060266   0.005724  -0.074146
+    0SOL     H3    3  -0.023835   0.073838   0.056055
+    1SOL     O4    4   0.215330   0.136491  -0.124997
+    1SOL     H5    5   0.148460   0.085649  -0.079109
+    1SOL     H6    6   0.297227   0.113641  -0.081031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/423/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057902   0.041178  -0.064140
+    0SOL     H3    3   0.023292  -0.084145  -0.039234
+    1SOL     O4    4   0.223071   0.133199  -0.044210
+    1SOL     H5    5   0.197256   0.222332  -0.020734
+    1SOL     H6    6   0.141278   0.083487  -0.043257
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/424/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001937  -0.000038  -0.095700
+    0SOL     H3    3  -0.014069  -0.091502   0.024325
+    1SOL     O4    4  -0.037624  -0.271109   0.065489
+    1SOL     H5    5  -0.120402  -0.312967   0.041864
+    1SOL     H6    6   0.029555  -0.333296   0.037522
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/425/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083384   0.029014  -0.036982
+    0SOL     H3    3   0.010244  -0.089823  -0.031452
+    1SOL     O4    4   0.153612   0.447927  -0.021205
+    1SOL     H5    5   0.145572   0.426077   0.071640
+    1SOL     H6    6   0.063410   0.450640  -0.053120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/426/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004134   0.089020  -0.034937
+    0SOL     H3    3  -0.086548  -0.036810  -0.017799
+    1SOL     O4    4  -0.245255  -0.171606  -0.020781
+    1SOL     H5    5  -0.306252  -0.130676   0.040590
+    1SOL     H6    6  -0.264996  -0.130766  -0.105070
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/427/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007698  -0.081849   0.049028
+    0SOL     H3    3   0.032617  -0.021248  -0.087447
+    1SOL     O4    4  -0.190452   0.156069   0.095936
+    1SOL     H5    5  -0.116894   0.110822   0.054654
+    1SOL     H6    6  -0.182971   0.246581   0.065706
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/428/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082863  -0.025051  -0.040847
+    0SOL     H3    3   0.011901  -0.020243   0.092795
+    1SOL     O4    4  -0.063009   0.249940  -0.105374
+    1SOL     H5    5  -0.116624   0.312810  -0.057051
+    1SOL     H6    6  -0.045875   0.179753  -0.042584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/429/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063771   0.043585   0.056532
+    0SOL     H3    3  -0.078406   0.054610   0.005709
+    1SOL     O4    4  -0.227343   0.152602   0.021515
+    1SOL     H5    5  -0.305417   0.116420  -0.020409
+    1SOL     H6    6  -0.237139   0.247413   0.012725
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/430/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076857   0.042066  -0.038547
+    0SOL     H3    3  -0.006713  -0.083980  -0.045438
+    1SOL     O4    4   0.014067   0.027308   0.295693
+    1SOL     H5    5   0.020897   0.017782   0.200693
+    1SOL     H6    6  -0.065004  -0.021311   0.319065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/431/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067434   0.053133   0.042331
+    0SOL     H3    3   0.081444   0.025680   0.043241
+    1SOL     O4    4   0.253330   0.356429   0.005444
+    1SOL     H5    5   0.328230   0.380020   0.060178
+    1SOL     H6    6   0.278494   0.383803  -0.082759
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/432/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004736   0.014171  -0.094547
+    0SOL     H3    3  -0.084482   0.030489   0.033099
+    1SOL     O4    4  -0.073330   0.056169  -0.257658
+    1SOL     H5    5  -0.053452  -0.028757  -0.297088
+    1SOL     H6    6  -0.161255   0.077231  -0.289091
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/433/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003878  -0.007315  -0.095361
+    0SOL     H3    3   0.076557  -0.051760   0.024946
+    1SOL     O4    4  -0.263768  -0.180564   0.038122
+    1SOL     H5    5  -0.262582  -0.182050   0.133824
+    1SOL     H6    6  -0.204114  -0.109537   0.014483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/434/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004833  -0.005116   0.095461
+    0SOL     H3    3   0.018207  -0.089720  -0.027950
+    1SOL     O4    4  -0.230671   0.065047  -0.117416
+    1SOL     H5    5  -0.149397   0.030759  -0.080251
+    1SOL     H6    6  -0.215306   0.066061  -0.211889
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/435/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080686  -0.022198   0.046469
+    0SOL     H3    3  -0.003799   0.095053  -0.010624
+    1SOL     O4    4   0.262091  -0.058244   0.042973
+    1SOL     H5    5   0.253949  -0.086218   0.134151
+    1SOL     H6    6   0.174054  -0.029544   0.018722
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/436/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016459   0.018287  -0.092504
+    0SOL     H3    3  -0.047225  -0.081479   0.017128
+    1SOL     O4    4  -0.082869   0.071988  -0.266821
+    1SOL     H5    5  -0.090988  -0.016989  -0.301165
+    1SOL     H6    6   0.000976   0.103267  -0.300791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/437/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071845  -0.060508  -0.018423
+    0SOL     H3    3  -0.015627   0.029173   0.089817
+    1SOL     O4    4   0.035275  -0.014377   0.298261
+    1SOL     H5    5  -0.060166  -0.018364   0.292131
+    1SOL     H6    6   0.062936  -0.105941   0.301891
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/438/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042930   0.083825   0.017108
+    0SOL     H3    3   0.076431  -0.000022   0.057625
+    1SOL     O4    4   0.249660  -0.033513   0.100908
+    1SOL     H5    5   0.277877  -0.059343   0.188652
+    1SOL     H6    6   0.233824  -0.116256   0.055463
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/439/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006683   0.025418  -0.092041
+    0SOL     H3    3  -0.066392   0.052791   0.044357
+    1SOL     O4    4  -0.256176   0.159902   0.023334
+    1SOL     H5    5  -0.252737   0.155892   0.118909
+    1SOL     H6    6  -0.303019   0.080476  -0.002347
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/440/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080469   0.016140   0.049261
+    0SOL     H3    3  -0.070272   0.025289   0.059872
+    1SOL     O4    4  -0.018474  -0.265798   0.102447
+    1SOL     H5    5   0.069546  -0.299774   0.086306
+    1SOL     H6    6  -0.014935  -0.174888   0.072698
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/441/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006204  -0.086650  -0.040195
+    0SOL     H3    3   0.059189   0.048822  -0.057232
+    1SOL     O4    4  -0.247195   0.110042  -0.068197
+    1SOL     H5    5  -0.154828   0.088857  -0.054714
+    1SOL     H6    6  -0.247924   0.204141  -0.085721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/442/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001280  -0.037638   0.088000
+    0SOL     H3    3   0.075960  -0.040167  -0.042178
+    1SOL     O4    4  -0.034818  -0.087385   0.260533
+    1SOL     H5    5  -0.126977  -0.112848   0.265065
+    1SOL     H6    6  -0.033429   0.003269   0.291230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/443/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012402  -0.091129   0.026534
+    0SOL     H3    3   0.045054   0.040633   0.074036
+    1SOL     O4    4  -0.224145   0.147279   0.063336
+    1SOL     H5    5  -0.157688   0.090551   0.024248
+    1SOL     H6    6  -0.200343   0.151851   0.155937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/444/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023847  -0.090671  -0.019298
+    0SOL     H3    3   0.056859   0.025821  -0.072544
+    1SOL     O4    4  -0.052808  -0.262926  -0.058593
+    1SOL     H5    5  -0.047816  -0.296855  -0.147958
+    1SOL     H6    6  -0.139348  -0.289611  -0.027590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/445/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088410  -0.035586   0.008930
+    0SOL     H3    3   0.023503   0.028333   0.088358
+    1SOL     O4    4   0.191151  -0.130966  -0.141673
+    1SOL     H5    5   0.141186  -0.067050  -0.090873
+    1SOL     H6    6   0.157546  -0.215908  -0.113072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/446/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081244  -0.042234   0.027892
+    0SOL     H3    3   0.005927   0.088899   0.034988
+    1SOL     O4    4  -0.232338  -0.123206   0.075853
+    1SOL     H5    5  -0.217846  -0.132049   0.170056
+    1SOL     H6    6  -0.157331  -0.072564   0.044683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/447/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079252  -0.025122   0.047437
+    0SOL     H3    3  -0.069100  -0.053931   0.038457
+    1SOL     O4    4  -0.014274   0.014643  -0.297583
+    1SOL     H5    5   0.057821   0.077530  -0.300721
+    1SOL     H6    6  -0.032546   0.003719  -0.204260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/448/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077564   0.050758  -0.023869
+    0SOL     H3    3   0.072470   0.062123  -0.007152
+    1SOL     O4    4  -0.150775   0.133326  -0.312559
+    1SOL     H5    5  -0.081413   0.081648  -0.353553
+    1SOL     H6    6  -0.135847   0.222574  -0.343774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/449/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029570  -0.029578   0.086099
+    0SOL     H3    3   0.079897   0.028555  -0.044311
+    1SOL     O4    4   0.032495  -0.085404   0.251339
+    1SOL     H5    5  -0.045750  -0.066059   0.302970
+    1SOL     H6    6   0.103019  -0.038823   0.296271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/450/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036733   0.072652   0.050346
+    0SOL     H3    3  -0.083308   0.033491  -0.033174
+    1SOL     O4    4  -0.210427   0.119143  -0.113451
+    1SOL     H5    5  -0.236249   0.089988  -0.200890
+    1SOL     H6    6  -0.181454   0.209524  -0.125872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/451/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011391  -0.000968  -0.095035
+    0SOL     H3    3  -0.088094  -0.034738   0.013967
+    1SOL     O4    4   0.187077  -0.152614   0.162218
+    1SOL     H5    5   0.157932  -0.072624   0.118462
+    1SOL     H6    6   0.280713  -0.157716   0.143020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/452/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073156  -0.031142   0.053298
+    0SOL     H3    3   0.019221   0.092491  -0.015440
+    1SOL     O4    4  -0.036839  -0.147364  -0.241008
+    1SOL     H5    5   0.046744  -0.107018  -0.264425
+    1SOL     H6    6  -0.045395  -0.131966  -0.146923
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/453/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087950   0.036212  -0.010764
+    0SOL     H3    3  -0.008112  -0.061462   0.072931
+    1SOL     O4    4   0.001252  -0.180875   0.196749
+    1SOL     H5    5  -0.007018  -0.196901   0.290755
+    1SOL     H6    6  -0.062593  -0.239846   0.156643
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/454/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066408  -0.043157   0.053756
+    0SOL     H3    3   0.083206  -0.024029   0.040764
+    1SOL     O4    4  -0.031175  -0.046836  -0.260748
+    1SOL     H5    5  -0.039018  -0.036578  -0.165903
+    1SOL     H6    6  -0.115821  -0.018204  -0.295064
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/455/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093597   0.018898  -0.006699
+    0SOL     H3    3   0.023186   0.024984   0.089446
+    1SOL     O4    4  -0.251135   0.055946  -0.012110
+    1SOL     H5    5  -0.268550   0.059693   0.081937
+    1SOL     H6    6  -0.326803   0.010162  -0.048723
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/456/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071643  -0.049582   0.039639
+    0SOL     H3    3  -0.064275  -0.066426  -0.024872
+    1SOL     O4    4  -0.065156   0.250702   0.093734
+    1SOL     H5    5  -0.159546   0.265063   0.100561
+    1SOL     H6    6  -0.055955   0.155947   0.083779
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/457/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073856   0.059838   0.011269
+    0SOL     H3    3  -0.020370  -0.048467  -0.079990
+    1SOL     O4    4  -0.282437   0.168654   0.229362
+    1SOL     H5    5  -0.363780   0.118403   0.233894
+    1SOL     H6    6  -0.308136   0.258016   0.252084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/458/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000004   0.095562  -0.005491
+    0SOL     H3    3  -0.004447  -0.018650   0.093780
+    1SOL     O4    4  -0.072701   0.013315   0.268679
+    1SOL     H5    5  -0.161748   0.044791   0.284240
+    1SOL     H6    6  -0.062041  -0.059670   0.329686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/459/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009125   0.080124   0.051567
+    0SOL     H3    3   0.082578  -0.046572   0.013203
+    1SOL     O4    4  -0.324330  -0.119516   0.032781
+    1SOL     H5    5  -0.348648  -0.190555  -0.026587
+    1SOL     H6    6  -0.228834  -0.123921   0.037629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/460/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091671  -0.023877   0.013736
+    0SOL     H3    3   0.049636  -0.069359   0.043450
+    1SOL     O4    4   0.087464  -0.239779   0.096471
+    1SOL     H5    5   0.022183  -0.280904   0.039819
+    1SOL     H6    6   0.169618  -0.283511   0.074098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/461/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000508   0.091766   0.027224
+    0SOL     H3    3  -0.044866   0.000299  -0.084554
+    1SOL     O4    4   0.018069   0.262013   0.075024
+    1SOL     H5    5  -0.024595   0.336630   0.032901
+    1SOL     H6    6   0.022747   0.286127   0.167538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/462/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089863   0.013693  -0.029989
+    0SOL     H3    3   0.006076  -0.073193   0.061385
+    1SOL     O4    4   0.229748   0.061248  -0.116615
+    1SOL     H5    5   0.301384   0.099606  -0.066027
+    1SOL     H6    6   0.272971   0.016913  -0.189613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/463/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036619   0.040662  -0.078536
+    0SOL     H3    3  -0.094114   0.016331  -0.006178
+    1SOL     O4    4   0.115672  -0.162869   0.199441
+    1SOL     H5    5   0.089862  -0.093490   0.138756
+    1SOL     H6    6   0.203736  -0.187762   0.171380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/464/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048751  -0.066299   0.048889
+    0SOL     H3    3   0.091965  -0.020956   0.016299
+    1SOL     O4    4   0.217684  -0.173921   0.060589
+    1SOL     H5    5   0.255902  -0.123627   0.132507
+    1SOL     H6    6   0.217802  -0.264391   0.091853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/465/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004903  -0.020152   0.093446
+    0SOL     H3    3  -0.093371  -0.004344  -0.020621
+    1SOL     O4    4  -0.322195   0.034662  -0.054672
+    1SOL     H5    5  -0.400500  -0.007357  -0.019106
+    1SOL     H6    6  -0.342421   0.048736  -0.147166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/466/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061293  -0.010748  -0.072732
+    0SOL     H3    3   0.086450  -0.010600  -0.039703
+    1SOL     O4    4  -0.112977  -0.006383  -0.241208
+    1SOL     H5    5  -0.107990   0.073330  -0.293964
+    1SOL     H6    6  -0.204230  -0.034339  -0.248531
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/467/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023408   0.092615  -0.006072
+    0SOL     H3    3   0.036393  -0.021240  -0.085946
+    1SOL     O4    4  -0.021282   0.257127  -0.098182
+    1SOL     H5    5  -0.092462   0.250400  -0.161825
+    1SOL     H6    6   0.058068   0.240545  -0.149083
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/468/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048330   0.012993   0.081595
+    0SOL     H3    3  -0.051966  -0.063911  -0.048757
+    1SOL     O4    4   0.266071  -0.005687  -0.065387
+    1SOL     H5    5   0.261929   0.085701  -0.037223
+    1SOL     H6    6   0.182387  -0.043107  -0.037835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/469/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022126   0.000622  -0.093126
+    0SOL     H3    3  -0.078744  -0.054133   0.005597
+    1SOL     O4    4  -0.143958   0.060666   0.374986
+    1SOL     H5    5  -0.093347  -0.020297   0.381754
+    1SOL     H6    6  -0.078276   0.128966   0.361449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/470/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082910  -0.043309  -0.020313
+    0SOL     H3    3  -0.065984  -0.068633  -0.009900
+    1SOL     O4    4  -0.171697  -0.239458  -0.015503
+    1SOL     H5    5  -0.215313  -0.194658  -0.087980
+    1SOL     H6    6  -0.242998  -0.266711   0.042253
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/471/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000623  -0.093253  -0.021585
+    0SOL     H3    3  -0.090310   0.017982   0.026135
+    1SOL     O4    4   0.252762   0.078124   0.068274
+    1SOL     H5    5   0.290584   0.003658   0.115036
+    1SOL     H6    6   0.165743   0.048215   0.041903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/472/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017072  -0.018048  -0.092440
+    0SOL     H3    3  -0.037128   0.086989   0.014723
+    1SOL     O4    4  -0.039913   0.272187   0.095633
+    1SOL     H5    5  -0.119974   0.302457   0.052780
+    1SOL     H6    6   0.028286   0.331154   0.063475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/473/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049495  -0.005815  -0.081723
+    0SOL     H3    3  -0.057205  -0.076738  -0.001076
+    1SOL     O4    4  -0.207605  -0.156290   0.088522
+    1SOL     H5    5  -0.300972  -0.143442   0.071788
+    1SOL     H6    6  -0.200117  -0.248455   0.113256
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/474/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018555   0.093709   0.006054
+    0SOL     H3    3  -0.083077  -0.011052   0.046243
+    1SOL     O4    4   0.084191  -0.183223   0.378421
+    1SOL     H5    5   0.026051  -0.238417   0.326117
+    1SOL     H6    6   0.026171  -0.118545   0.418580
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/475/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007985  -0.043640   0.084818
+    0SOL     H3    3   0.087113  -0.024278  -0.031374
+    1SOL     O4    4  -0.022872   0.297941   0.076324
+    1SOL     H5    5   0.047675   0.361083   0.090416
+    1SOL     H6    6   0.022005   0.214613   0.062014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/476/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074773   0.050060  -0.032639
+    0SOL     H3    3   0.046784   0.061104   0.056920
+    1SOL     O4    4   0.064059  -0.151598  -0.336233
+    1SOL     H5    5   0.014787  -0.212194  -0.280891
+    1SOL     H6    6   0.144364  -0.198904  -0.358042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/477/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042136   0.085582  -0.007913
+    0SOL     H3    3   0.010984  -0.012722   0.094233
+    1SOL     O4    4  -0.252064  -0.170024  -0.015518
+    1SOL     H5    5  -0.282802  -0.184545   0.073961
+    1SOL     H6    6  -0.165762  -0.129966  -0.005044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/478/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032259   0.054477   0.071791
+    0SOL     H3    3   0.024920   0.047528  -0.079262
+    1SOL     O4    4   0.119629   0.148668  -0.214193
+    1SOL     H5    5   0.082536   0.111619  -0.294279
+    1SOL     H6    6   0.212784   0.127123  -0.218688
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/479/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086682  -0.000488  -0.040598
+    0SOL     H3    3  -0.017224  -0.011169   0.093493
+    1SOL     O4    4  -0.214956  -0.006886  -0.134917
+    1SOL     H5    5  -0.273956   0.001627  -0.060025
+    1SOL     H6    6  -0.207751  -0.101262  -0.149186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/480/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065376   0.048784   0.050085
+    0SOL     H3    3  -0.025989   0.011875  -0.091356
+    1SOL     O4    4  -0.026034   0.361582   0.003687
+    1SOL     H5    5  -0.088490   0.290559   0.018433
+    1SOL     H6    6  -0.063391   0.436434   0.050205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/481/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080343   0.051731  -0.005590
+    0SOL     H3    3  -0.028647  -0.085398   0.032386
+    1SOL     O4    4  -0.196846  -0.188110   0.058695
+    1SOL     H5    5  -0.248705  -0.264657   0.033928
+    1SOL     H6    6  -0.257253  -0.114367   0.050017
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/482/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025248   0.024205  -0.089101
+    0SOL     H3    3  -0.018733   0.077969   0.052271
+    1SOL     O4    4   0.030064  -0.239797   0.122105
+    1SOL     H5    5  -0.058810  -0.261015   0.093582
+    1SOL     H6    6   0.048989  -0.155475   0.080947
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/483/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031226   0.084158  -0.033236
+    0SOL     H3    3  -0.042116  -0.041416  -0.075321
+    1SOL     O4    4   0.095298  -0.177966   0.241425
+    1SOL     H5    5   0.038273  -0.230164   0.184982
+    1SOL     H6    6   0.098700  -0.092095   0.199273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/484/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025598   0.092227  -0.001071
+    0SOL     H3    3   0.059857  -0.042237  -0.061607
+    1SOL     O4    4   0.118219   0.258916  -0.051970
+    1SOL     H5    5   0.205150   0.247338  -0.013614
+    1SOL     H6    6   0.091146   0.346394  -0.024097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/485/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062475  -0.033562  -0.064287
+    0SOL     H3    3   0.054123   0.027294   0.074081
+    1SOL     O4    4   0.232831  -0.098547  -0.166128
+    1SOL     H5    5   0.305423  -0.060317  -0.215436
+    1SOL     H6    6   0.240799  -0.192787  -0.180877
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/486/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006713  -0.031506  -0.090137
+    0SOL     H3    3  -0.016302   0.094118  -0.006198
+    1SOL     O4    4   0.148848   0.405577   0.077794
+    1SOL     H5    5   0.169277   0.494309   0.048270
+    1SOL     H6    6   0.087902   0.371872   0.012129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/487/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042902  -0.081920   0.024714
+    0SOL     H3    3   0.053791   0.034750  -0.071143
+    1SOL     O4    4   0.159941  -0.259192   0.042110
+    1SOL     H5    5   0.170182  -0.251305   0.136953
+    1SOL     H6    6   0.076747  -0.305135   0.030694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/488/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017631  -0.025748  -0.090490
+    0SOL     H3    3   0.095431  -0.001620   0.007253
+    1SOL     O4    4   0.055667  -0.266091   0.034413
+    1SOL     H5    5   0.066073  -0.268451   0.129537
+    1SOL     H6    6   0.022190  -0.178305   0.016104
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/489/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046137  -0.078286  -0.030082
+    0SOL     H3    3  -0.069284   0.064171   0.015624
+    1SOL     O4    4   0.080924  -0.057449   0.257317
+    1SOL     H5    5   0.025222   0.000696   0.309074
+    1SOL     H6    6   0.062979  -0.033268   0.166456
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/490/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064423   0.062936   0.032421
+    0SOL     H3    3   0.082333   0.048782  -0.001949
+    1SOL     O4    4  -0.057280  -0.260651   0.085899
+    1SOL     H5    5  -0.032793  -0.245023   0.177105
+    1SOL     H6    6  -0.058070  -0.173640   0.046016
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/491/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083100  -0.025174   0.040286
+    0SOL     H3    3   0.014234   0.089656  -0.030357
+    1SOL     O4    4  -0.237566  -0.161049   0.092538
+    1SOL     H5    5  -0.209408  -0.252234   0.099940
+    1SOL     H6    6  -0.156444  -0.111831   0.079924
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/492/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000687  -0.054747  -0.078515
+    0SOL     H3    3  -0.009781  -0.061803   0.072437
+    1SOL     O4    4  -0.006632   0.253545   0.122693
+    1SOL     H5    5   0.002784   0.174686   0.069261
+    1SOL     H6    6  -0.039372   0.319905   0.061975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/493/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073810  -0.023963   0.056038
+    0SOL     H3    3  -0.010620   0.094198   0.013276
+    1SOL     O4    4   0.374988  -0.088161  -0.168345
+    1SOL     H5    5   0.331135  -0.123349  -0.245811
+    1SOL     H6    6   0.460532  -0.059357  -0.200201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/494/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071616  -0.037953   0.050921
+    0SOL     H3    3  -0.010824   0.094563   0.010146
+    1SOL     O4    4  -0.047214   0.254042   0.067326
+    1SOL     H5    5  -0.085393   0.248940   0.154953
+    1SOL     H6    6  -0.116516   0.291726   0.013109
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/495/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025374   0.043491  -0.081406
+    0SOL     H3    3   0.069232  -0.060832  -0.025860
+    1SOL     O4    4   0.148570  -0.206534  -0.128914
+    1SOL     H5    5   0.187796  -0.257166  -0.057780
+    1SOL     H6    6   0.129632  -0.271264  -0.196839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/496/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000420   0.053917   0.079089
+    0SOL     H3    3   0.088414   0.009891  -0.035319
+    1SOL     O4    4  -0.228582  -0.104866  -0.103937
+    1SOL     H5    5  -0.136663  -0.082417  -0.089473
+    1SOL     H6    6  -0.277383  -0.031637  -0.066277
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/497/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073978  -0.029237  -0.053243
+    0SOL     H3    3  -0.037782   0.017049   0.086280
+    1SOL     O4    4  -0.215344  -0.085620  -0.137415
+    1SOL     H5    5  -0.261319  -0.156331  -0.092153
+    1SOL     H6    6  -0.209557  -0.115075  -0.228306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/498/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072086   0.050927   0.037046
+    0SOL     H3    3  -0.013605  -0.071268   0.062435
+    1SOL     O4    4  -0.201218   0.169835   0.068715
+    1SOL     H5    5  -0.120461   0.127344   0.039818
+    1SOL     H6    6  -0.186629   0.262958   0.052053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/499/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063403   0.062464   0.035223
+    0SOL     H3    3  -0.085304   0.036946   0.022815
+    1SOL     O4    4  -0.264710   0.052507   0.091540
+    1SOL     H5    5  -0.318330   0.063802   0.013056
+    1SOL     H6    6  -0.260654   0.139800   0.130601
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/500/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013523   0.093555  -0.015062
+    0SOL     H3    3  -0.026829  -0.041620  -0.081916
+    1SOL     O4    4  -0.217348   0.133574  -0.320394
+    1SOL     H5    5  -0.169399   0.050870  -0.315574
+    1SOL     H6    6  -0.225023   0.151437  -0.414119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/501/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010816   0.092159  -0.023494
+    0SOL     H3    3  -0.085815  -0.023801  -0.035093
+    1SOL     O4    4   0.339308   0.036827  -0.220048
+    1SOL     H5    5   0.333035   0.080883  -0.135300
+    1SOL     H6    6   0.295159  -0.047066  -0.206810
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/502/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009013  -0.025191   0.091905
+    0SOL     H3    3   0.052822   0.079799   0.002058
+    1SOL     O4    4   0.009983  -0.060807   0.265733
+    1SOL     H5    5  -0.079160  -0.041843   0.294995
+    1SOL     H6    6   0.059260   0.018769   0.285776
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/503/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094248  -0.016503  -0.002695
+    0SOL     H3    3   0.008200   0.085455   0.042339
+    1SOL     O4    4   0.203826  -0.167613  -0.162159
+    1SOL     H5    5   0.144414  -0.094972  -0.143294
+    1SOL     H6    6   0.179713  -0.196063  -0.250315
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/504/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072566   0.009869   0.061637
+    0SOL     H3    3  -0.042203  -0.016520  -0.084311
+    1SOL     O4    4  -0.221157  -0.114152  -0.192982
+    1SOL     H5    5  -0.296952  -0.056524  -0.183153
+    1SOL     H6    6  -0.258440  -0.202156  -0.198225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/505/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023003  -0.088121  -0.029459
+    0SOL     H3    3  -0.080067   0.021206  -0.047978
+    1SOL     O4    4   0.162942   0.260644  -0.099021
+    1SOL     H5    5   0.135715   0.173509  -0.070238
+    1SOL     H6    6   0.118272   0.320681  -0.039336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/506/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065992  -0.027140   0.063802
+    0SOL     H3    3  -0.035196   0.080396  -0.038210
+    1SOL     O4    4  -0.225976  -0.036453   0.151471
+    1SOL     H5    5  -0.303236   0.018414   0.164994
+    1SOL     H6    6  -0.259929  -0.125945   0.150716
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/507/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022994  -0.091504  -0.016144
+    0SOL     H3    3  -0.067672   0.050136  -0.045488
+    1SOL     O4    4   0.247144   0.021646  -0.141547
+    1SOL     H5    5   0.307968  -0.045999  -0.111766
+    1SOL     H6    6   0.176913   0.021088  -0.076512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/508/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059065   0.060864   0.044376
+    0SOL     H3    3   0.078060   0.051980  -0.019160
+    1SOL     O4    4  -0.214926   0.194570   0.085299
+    1SOL     H5    5  -0.303603   0.160611   0.097356
+    1SOL     H6    6  -0.226159   0.271937   0.030068
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/509/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029849  -0.054413   0.072874
+    0SOL     H3    3   0.078381   0.014092  -0.053105
+    1SOL     O4    4  -0.002650  -0.092205   0.254720
+    1SOL     H5    5   0.080769  -0.055943   0.284530
+    1SOL     H6    6   0.017494  -0.182877   0.231588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/510/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009919  -0.092179   0.023810
+    0SOL     H3    3  -0.020248  -0.001421  -0.093543
+    1SOL     O4    4   0.097323   0.007435  -0.300133
+    1SOL     H5    5   0.185652  -0.029163  -0.295563
+    1SOL     H6    6   0.110301   0.098016  -0.328223
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/511/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085347   0.016899  -0.039909
+    0SOL     H3    3   0.017067  -0.067847   0.065328
+    1SOL     O4    4   0.032852  -0.203169   0.181125
+    1SOL     H5    5   0.087872  -0.266312   0.134778
+    1SOL     H6    6  -0.025684  -0.256940   0.234459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/512/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048237   0.009127   0.082171
+    0SOL     H3    3  -0.042640  -0.085446   0.006567
+    1SOL     O4    4   0.052304   0.076229   0.274704
+    1SOL     H5    5   0.082350  -0.005398   0.314660
+    1SOL     H6    6   0.110933   0.143194   0.309927
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/513/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082202   0.044936   0.019645
+    0SOL     H3    3   0.002974  -0.015272  -0.094447
+    1SOL     O4    4   0.096826  -0.056266  -0.264409
+    1SOL     H5    5   0.148485   0.004966  -0.316796
+    1SOL     H6    6   0.161813  -0.112165  -0.221813
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/514/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051564   0.034464   0.072909
+    0SOL     H3    3  -0.065118  -0.031945  -0.062462
+    1SOL     O4    4   0.237297  -0.136487   0.073594
+    1SOL     H5    5   0.222403  -0.229827   0.088701
+    1SOL     H6    6   0.158278  -0.106545   0.028630
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/515/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059843   0.065671   0.035615
+    0SOL     H3    3   0.031108  -0.082966   0.036212
+    1SOL     O4    4   0.253747  -0.044807   0.178196
+    1SOL     H5    5   0.275400  -0.121932   0.230592
+    1SOL     H6    6   0.336441  -0.019810   0.136975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/516/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067224  -0.055106  -0.040082
+    0SOL     H3    3  -0.009054   0.084612  -0.043831
+    1SOL     O4    4  -0.181507  -0.084852  -0.203030
+    1SOL     H5    5  -0.181833  -0.005148  -0.256034
+    1SOL     H6    6  -0.268571  -0.087642  -0.163352
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/517/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040380  -0.061779   0.060952
+    0SOL     H3    3  -0.048559   0.081498   0.012745
+    1SOL     O4    4  -0.157865  -0.157509   0.164963
+    1SOL     H5    5  -0.124040  -0.134143   0.251405
+    1SOL     H6    6  -0.111582  -0.238107   0.142065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/518/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043945  -0.047170   0.070754
+    0SOL     H3    3   0.055362  -0.014743  -0.076681
+    1SOL     O4    4  -0.047615   0.276355   0.054877
+    1SOL     H5    5  -0.036388   0.181317   0.052875
+    1SOL     H6    6  -0.121404   0.290560   0.114171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/519/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006898  -0.015223  -0.094250
+    0SOL     H3    3  -0.023192   0.092546   0.007728
+    1SOL     O4    4  -0.164385  -0.220671   0.073150
+    1SOL     H5    5  -0.117114  -0.140436   0.051010
+    1SOL     H6    6  -0.229033  -0.193262   0.138202
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/520/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055170   0.078214  -0.001043
+    0SOL     H3    3   0.058198   0.012680   0.074930
+    1SOL     O4    4   0.198264  -0.037407   0.199648
+    1SOL     H5    5   0.193464  -0.083989   0.283131
+    1SOL     H6    6   0.291555  -0.036028   0.178265
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/521/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072641  -0.033771  -0.052394
+    0SOL     H3    3  -0.010615  -0.041756   0.085476
+    1SOL     O4    4  -0.074202  -0.120726   0.273339
+    1SOL     H5    5  -0.081932  -0.214559   0.256074
+    1SOL     H6    6  -0.162737  -0.093365   0.297327
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/522/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006188   0.007850   0.095197
+    0SOL     H3    3  -0.054507   0.071177  -0.033543
+    1SOL     O4    4   0.035281  -0.229456  -0.159174
+    1SOL     H5    5  -0.016462  -0.305562  -0.132851
+    1SOL     H6    6   0.004247  -0.158651  -0.102730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/523/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033916  -0.086657  -0.022417
+    0SOL     H3    3  -0.073053   0.043803   0.043668
+    1SOL     O4    4   0.035407  -0.215203  -0.182387
+    1SOL     H5    5  -0.014298  -0.206202  -0.263693
+    1SOL     H6    6  -0.007134  -0.287397  -0.136120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/524/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011718   0.092136   0.023149
+    0SOL     H3    3  -0.061379  -0.046934   0.056499
+    1SOL     O4    4  -0.176524  -0.081947   0.348994
+    1SOL     H5    5  -0.224667  -0.067591   0.267517
+    1SOL     H6    6  -0.194192  -0.173283   0.371534
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/525/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038718   0.034301   0.080540
+    0SOL     H3    3  -0.005548   0.075829  -0.058150
+    1SOL     O4    4   0.308634   0.200772  -0.141816
+    1SOL     H5    5   0.364945   0.134651  -0.101574
+    1SOL     H6    6   0.285844   0.259812  -0.070003
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/526/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027709   0.053048  -0.074702
+    0SOL     H3    3  -0.027624  -0.083149  -0.038542
+    1SOL     O4    4   0.115590   0.067407  -0.251647
+    1SOL     H5    5   0.148976   0.150951  -0.284329
+    1SOL     H6    6   0.178138   0.002397  -0.283645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/527/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028200   0.090513  -0.013210
+    0SOL     H3    3   0.084267  -0.005699  -0.045042
+    1SOL     O4    4  -0.113723   0.244514  -0.095272
+    1SOL     H5    5  -0.146854   0.263325  -0.183084
+    1SOL     H6    6  -0.185591   0.268632  -0.036830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/528/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044817  -0.076770  -0.035497
+    0SOL     H3    3   0.069925   0.053149   0.038052
+    1SOL     O4    4   0.190683   0.127598   0.167525
+    1SOL     H5    5   0.121930   0.151066   0.229853
+    1SOL     H6    6   0.215570   0.038390   0.191711
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/529/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030008   0.066742   0.061704
+    0SOL     H3    3  -0.011723  -0.078548   0.053434
+    1SOL     O4    4   0.089892   0.221455   0.134423
+    1SOL     H5    5   0.052935   0.226798   0.222559
+    1SOL     H6    6   0.177286   0.184572   0.147241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/530/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004432   0.064352  -0.070721
+    0SOL     H3    3  -0.087285   0.001441   0.039263
+    1SOL     O4    4  -0.070120  -0.261388  -0.106386
+    1SOL     H5    5  -0.037725  -0.175934  -0.077919
+    1SOL     H6    6  -0.094812  -0.305912  -0.025328
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/531/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053256   0.076164   0.022918
+    0SOL     H3    3   0.089316   0.025252   0.023394
+    1SOL     O4    4  -0.186026   0.206610   0.064549
+    1SOL     H5    5  -0.215592   0.297487   0.059108
+    1SOL     H6    6  -0.222608   0.174362   0.146914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/532/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018833   0.093587   0.007007
+    0SOL     H3    3  -0.080616  -0.042915   0.028664
+    1SOL     O4    4   0.123731  -0.045574  -0.227059
+    1SOL     H5    5   0.202438  -0.095465  -0.205185
+    1SOL     H6    6   0.084672  -0.024018  -0.142371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/533/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060693  -0.001258   0.074007
+    0SOL     H3    3   0.081432   0.034798   0.036334
+    1SOL     O4    4   0.205265   0.141051   0.214394
+    1SOL     H5    5   0.238538   0.228756   0.195340
+    1SOL     H6    6   0.192074   0.140459   0.309199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/534/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085075  -0.026359  -0.035067
+    0SOL     H3    3   0.023423   0.078150  -0.050062
+    1SOL     O4    4   0.130450  -0.235196   0.059659
+    1SOL     H5    5   0.214092  -0.236124   0.013125
+    1SOL     H6    6   0.099937  -0.144762   0.052377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/535/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035684   0.062094   0.063508
+    0SOL     H3    3   0.076011  -0.049634  -0.030352
+    1SOL     O4    4  -0.125412  -0.286590   0.204496
+    1SOL     H5    5  -0.142101  -0.280581   0.110434
+    1SOL     H6    6  -0.161526  -0.205585   0.240500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/536/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046710   0.082231  -0.014782
+    0SOL     H3    3  -0.046859  -0.064151  -0.053396
+    1SOL     O4    4   0.208275   0.019245  -0.162954
+    1SOL     H5    5   0.145388   0.032731  -0.092062
+    1SOL     H6    6   0.276652   0.084323  -0.147082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/537/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049863  -0.041272   0.070517
+    0SOL     H3    3   0.042523  -0.030140  -0.080285
+    1SOL     O4    4  -0.043633   0.176722  -0.365194
+    1SOL     H5    5  -0.056898   0.140654  -0.452860
+    1SOL     H6    6   0.016469   0.115419  -0.322862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/538/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024414  -0.088633  -0.026656
+    0SOL     H3    3   0.022658  -0.008185   0.092639
+    1SOL     O4    4  -0.164927  -0.213012  -0.105454
+    1SOL     H5    5  -0.220291  -0.134954  -0.103434
+    1SOL     H6    6  -0.197213  -0.267203  -0.033459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/539/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050403   0.023468  -0.077917
+    0SOL     H3    3   0.033244  -0.087839  -0.018479
+    1SOL     O4    4   0.331906   0.223305  -0.164664
+    1SOL     H5    5   0.417277   0.262270  -0.145801
+    1SOL     H6    6   0.331779   0.140984  -0.115823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/540/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092581   0.001042   0.024288
+    0SOL     H3    3  -0.039768   0.068236   0.054080
+    1SOL     O4    4  -0.069250  -0.273728  -0.017546
+    1SOL     H5    5  -0.032044  -0.186230  -0.006494
+    1SOL     H6    6  -0.163759  -0.260799  -0.009598
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/541/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079839   0.039315   0.035248
+    0SOL     H3    3  -0.058333   0.074223  -0.015829
+    1SOL     O4    4   0.148568   0.205006   0.102865
+    1SOL     H5    5   0.125159   0.290010   0.140131
+    1SOL     H6    6   0.214457   0.169872   0.162752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/542/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089168   0.032403   0.012708
+    0SOL     H3    3  -0.022766   0.026682  -0.089063
+    1SOL     O4    4  -0.079347   0.379486  -0.149611
+    1SOL     H5    5   0.011292   0.348716  -0.149661
+    1SOL     H6    6  -0.074052   0.469793  -0.180898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/543/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094071  -0.004149   0.017198
+    0SOL     H3    3   0.014298   0.088305  -0.034061
+    1SOL     O4    4   0.113834   0.064303   0.226160
+    1SOL     H5    5   0.098601   0.047140   0.133232
+    1SOL     H6    6   0.184403   0.128963   0.227369
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/544/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073895   0.024019  -0.055901
+    0SOL     H3    3  -0.009496   0.055426   0.077460
+    1SOL     O4    4   0.144992   0.109217   0.234360
+    1SOL     H5    5   0.163318   0.190501   0.281471
+    1SOL     H6    6   0.227339   0.087805   0.190510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/545/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057916   0.073226   0.021121
+    0SOL     H3    3  -0.015530  -0.016848  -0.092937
+    1SOL     O4    4  -0.188607   0.198796  -0.020884
+    1SOL     H5    5  -0.130298   0.270099  -0.046925
+    1SOL     H6    6  -0.276454   0.236417  -0.026357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/546/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016897   0.067819  -0.065402
+    0SOL     H3    3   0.017794   0.048355   0.080669
+    1SOL     O4    4   0.075105   0.079459   0.266593
+    1SOL     H5    5  -0.016358   0.090681   0.292494
+    1SOL     H6    6   0.112966   0.167092   0.273629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/547/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082648   0.041162  -0.025245
+    0SOL     H3    3   0.042639  -0.021132  -0.083053
+    1SOL     O4    4   0.162248  -0.091620  -0.196185
+    1SOL     H5    5   0.228909  -0.027449  -0.171676
+    1SOL     H6    6   0.146392  -0.075427  -0.289184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/548/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067654   0.024079  -0.063289
+    0SOL     H3    3   0.079004  -0.011956  -0.052705
+    1SOL     O4    4   0.022295   0.108092   0.262205
+    1SOL     H5    5   0.037047   0.103581   0.167737
+    1SOL     H6    6  -0.058437   0.158672   0.271499
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/549/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081009   0.049882  -0.010569
+    0SOL     H3    3   0.067845   0.056198  -0.037432
+    1SOL     O4    4   0.227443   0.142192  -0.071906
+    1SOL     H5    5   0.279205   0.105174  -0.143408
+    1SOL     H6    6   0.266384   0.105444   0.007438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/550/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092244  -0.024976  -0.005432
+    0SOL     H3    3  -0.009570   0.037597   0.087505
+    1SOL     O4    4  -0.133348   0.173404  -0.179074
+    1SOL     H5    5  -0.124140   0.138117  -0.267574
+    1SOL     H6    6  -0.088575   0.109922  -0.123148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/551/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014985   0.017226  -0.092957
+    0SOL     H3    3   0.077410  -0.056274   0.001805
+    1SOL     O4    4  -0.314627  -0.156340  -0.241043
+    1SOL     H5    5  -0.255115  -0.231188  -0.245321
+    1SOL     H6    6  -0.281046  -0.095202  -0.306593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/552/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057323  -0.067974  -0.035439
+    0SOL     H3    3   0.037722   0.082094  -0.031623
+    1SOL     O4    4   0.191968  -0.281434   0.140871
+    1SOL     H5    5   0.109052  -0.237121   0.122880
+    1SOL     H6    6   0.258599  -0.223789   0.103458
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/553/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054086  -0.045830  -0.064317
+    0SOL     H3    3   0.089994  -0.020567  -0.025307
+    1SOL     O4    4  -0.154044  -0.147159  -0.194870
+    1SOL     H5    5  -0.176223  -0.078717  -0.258006
+    1SOL     H6    6  -0.236647  -0.192843  -0.178991
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/554/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081045   0.047769   0.017666
+    0SOL     H3    3  -0.063448   0.036817   0.061491
+    1SOL     O4    4  -0.074294   0.097184  -0.256888
+    1SOL     H5    5  -0.050328   0.058499  -0.172678
+    1SOL     H6    6  -0.017537   0.173822  -0.265114
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/555/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019542  -0.078635   0.050960
+    0SOL     H3    3  -0.027205   0.072466   0.056310
+    1SOL     O4    4  -0.067815   0.225780   0.147174
+    1SOL     H5    5  -0.060207   0.211983   0.241589
+    1SOL     H6    6  -0.034741   0.314502   0.133144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/556/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030327  -0.042464   0.080246
+    0SOL     H3    3  -0.080274   0.025719  -0.045354
+    1SOL     O4    4   0.191866   0.179031   0.031904
+    1SOL     H5    5   0.123484   0.113406   0.045303
+    1SOL     H6    6   0.225199   0.161341  -0.056064
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/557/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017138   0.055628   0.075988
+    0SOL     H3    3  -0.083397  -0.043810  -0.016968
+    1SOL     O4    4   0.201269  -0.225249   0.066691
+    1SOL     H5    5   0.118472  -0.179983   0.082752
+    1SOL     H6    6   0.191989  -0.309050   0.112008
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/558/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090788  -0.014476   0.026651
+    0SOL     H3    3   0.051931  -0.028786   0.075079
+    1SOL     O4    4  -0.260630   0.002486   0.094936
+    1SOL     H5    5  -0.262710   0.019222   0.189158
+    1SOL     H6    6  -0.349639  -0.025490   0.073560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/559/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043688  -0.056241   0.063958
+    0SOL     H3    3  -0.087633  -0.037444  -0.008983
+    1SOL     O4    4   0.094086  -0.162231   0.226112
+    1SOL     H5    5   0.182237  -0.125515   0.232714
+    1SOL     H6    6   0.102436  -0.251071   0.260755
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/560/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005420  -0.024381  -0.092404
+    0SOL     H3    3   0.059981  -0.064049   0.038241
+    1SOL     O4    4  -0.085438   0.255289   0.070194
+    1SOL     H5    5  -0.072284   0.239729   0.163720
+    1SOL     H6    6  -0.081564   0.168227   0.030602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/561/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074493  -0.005196   0.059885
+    0SOL     H3    3  -0.030876   0.090260   0.007880
+    1SOL     O4    4  -0.209002   0.048943  -0.260175
+    1SOL     H5    5  -0.216577   0.142011  -0.281228
+    1SOL     H6    6  -0.281550   0.031948  -0.200089
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/562/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008142   0.082764  -0.047394
+    0SOL     H3    3  -0.088967  -0.029829  -0.018905
+    1SOL     O4    4  -0.001376   0.233566  -0.182126
+    1SOL     H5    5  -0.029464   0.218316  -0.272352
+    1SOL     H6    6  -0.081369   0.258853  -0.136038
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/563/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048518   0.072698  -0.039029
+    0SOL     H3    3  -0.041122  -0.044073  -0.074356
+    1SOL     O4    4  -0.048426  -0.252420   0.206512
+    1SOL     H5    5  -0.008876  -0.294521   0.282838
+    1SOL     H6    6  -0.085335  -0.324653   0.155696
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/564/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017747  -0.021142   0.091653
+    0SOL     H3    3  -0.036605  -0.080537  -0.036554
+    1SOL     O4    4  -0.120164   0.229349  -0.034469
+    1SOL     H5    5  -0.213493   0.226475  -0.055534
+    1SOL     H6    6  -0.100054   0.141389  -0.002517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/565/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005551  -0.095432   0.004929
+    0SOL     H3    3   0.090622   0.017489  -0.025380
+    1SOL     O4    4  -0.049497   0.151209  -0.246888
+    1SOL     H5    5  -0.040434   0.097426  -0.168227
+    1SOL     H6    6  -0.135081   0.193062  -0.237614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/566/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054230  -0.017759  -0.076851
+    0SOL     H3    3   0.030204  -0.086240   0.028507
+    1SOL     O4    4   0.071276   0.272224  -0.000671
+    1SOL     H5    5   0.058538   0.177598   0.006110
+    1SOL     H6    6   0.121590   0.283952  -0.081251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/567/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047683   0.074538  -0.036505
+    0SOL     H3    3  -0.061975  -0.072793  -0.004755
+    1SOL     O4    4  -0.154967  -0.218399  -0.066756
+    1SOL     H5    5  -0.162356  -0.232145  -0.161195
+    1SOL     H6    6  -0.244858  -0.224721  -0.034478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/568/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092681  -0.007980  -0.022558
+    0SOL     H3    3   0.046386  -0.030973  -0.077790
+    1SOL     O4    4  -0.281562   0.013153  -0.039172
+    1SOL     H5    5  -0.334434   0.089152  -0.014862
+    1SOL     H6    6  -0.344668  -0.049842  -0.073980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/569/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089313  -0.033054  -0.009643
+    0SOL     H3    3   0.049535  -0.074364   0.034329
+    1SOL     O4    4   0.104525   0.251343   0.004345
+    1SOL     H5    5   0.070153   0.162933  -0.008479
+    1SOL     H6    6   0.199575   0.241052  -0.000335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/570/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062306   0.062037   0.037838
+    0SOL     H3    3   0.046200  -0.036622   0.075410
+    1SOL     O4    4  -0.175895  -0.273299  -0.129824
+    1SOL     H5    5  -0.126493  -0.280180  -0.211522
+    1SOL     H6    6  -0.114552  -0.302031  -0.062194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/571/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020080  -0.089392   0.027716
+    0SOL     H3    3  -0.016999   0.000310  -0.094198
+    1SOL     O4    4  -0.042206  -0.254446   0.072118
+    1SOL     H5    5  -0.085522  -0.336858   0.049884
+    1SOL     H6    6   0.018458  -0.277446   0.142498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/572/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073778  -0.035303  -0.049728
+    0SOL     H3    3   0.050623   0.049745  -0.064226
+    1SOL     O4    4   0.190247   0.153783  -0.134436
+    1SOL     H5    5   0.238029   0.105086  -0.201576
+    1SOL     H6    6   0.156504   0.230833  -0.180121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/573/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008239   0.088112   0.036479
+    0SOL     H3    3   0.026165   0.014049  -0.090996
+    1SOL     O4    4   0.113977  -0.238609   0.092931
+    1SOL     H5    5   0.175012  -0.274512   0.028526
+    1SOL     H6    6   0.101053  -0.147757   0.065705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/574/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031514  -0.023000  -0.087408
+    0SOL     H3    3   0.047150   0.082375  -0.012394
+    1SOL     O4    4  -0.120733  -0.157176  -0.215338
+    1SOL     H5    5  -0.097348  -0.248734  -0.230591
+    1SOL     H6    6  -0.215421  -0.158594  -0.201394
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/575/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063291  -0.029152  -0.065626
+    0SOL     H3    3  -0.025403  -0.046068   0.079967
+    1SOL     O4    4  -0.036498   0.263613   0.053583
+    1SOL     H5    5  -0.038939   0.319127  -0.024356
+    1SOL     H6    6   0.001637   0.181245   0.023194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/576/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027167  -0.086430   0.030890
+    0SOL     H3    3  -0.051430  -0.017735  -0.078758
+    1SOL     O4    4  -0.181739   0.119957   0.158666
+    1SOL     H5    5  -0.217645   0.200610   0.121678
+    1SOL     H6    6  -0.105859   0.100095   0.103803
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/577/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001645   0.059836  -0.074695
+    0SOL     H3    3  -0.053458   0.044861   0.065514
+    1SOL     O4    4   0.035331   0.100997  -0.255829
+    1SOL     H5    5   0.073309   0.013134  -0.256268
+    1SOL     H6    6   0.110864   0.159792  -0.256241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/578/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024287   0.004519  -0.092477
+    0SOL     H3    3   0.092368  -0.025100  -0.000645
+    1SOL     O4    4  -0.177953  -0.074987   0.220802
+    1SOL     H5    5  -0.142153  -0.030215   0.144146
+    1SOL     H6    6  -0.155034  -0.166999   0.207732
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/579/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063813   0.068340  -0.020490
+    0SOL     H3    3  -0.081118   0.047525   0.017990
+    1SOL     O4    4   0.086221  -0.121042   0.243330
+    1SOL     H5    5   0.130581  -0.048193   0.286776
+    1SOL     H6    6   0.071672  -0.090345   0.153840
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/580/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057609   0.033816  -0.068557
+    0SOL     H3    3  -0.006974  -0.095165  -0.007573
+    1SOL     O4    4  -0.217064   0.024681  -0.158509
+    1SOL     H5    5  -0.254505  -0.059761  -0.133407
+    1SOL     H6    6  -0.190883   0.013122  -0.249851
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/581/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036014  -0.076797   0.044356
+    0SOL     H3    3   0.082740   0.017096   0.044990
+    1SOL     O4    4   0.252501   0.039798   0.109738
+    1SOL     H5    5   0.278204  -0.047962   0.081454
+    1SOL     H6    6   0.218527   0.027458   0.198371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/582/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077131  -0.046512   0.032402
+    0SOL     H3    3   0.060174   0.001449   0.074426
+    1SOL     O4    4   0.159211  -0.031777   0.255001
+    1SOL     H5    5   0.172124   0.056840   0.288805
+    1SOL     H6    6   0.124342  -0.080975   0.329338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/583/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014120   0.086549   0.038368
+    0SOL     H3    3  -0.000157  -0.059689   0.074830
+    1SOL     O4    4   0.025468  -0.133462   0.243544
+    1SOL     H5    5   0.063108  -0.208530   0.289482
+    1SOL     H6    6  -0.067402  -0.135285   0.266655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/584/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078989   0.052073  -0.014541
+    0SOL     H3    3  -0.012256  -0.038470   0.086788
+    1SOL     O4    4  -0.048868  -0.104658   0.274576
+    1SOL     H5    5  -0.000468  -0.053520   0.339420
+    1SOL     H6    6   0.006273  -0.181199   0.258355
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/585/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094468   0.012256  -0.009379
+    0SOL     H3    3   0.029011   0.075429   0.051294
+    1SOL     O4    4   0.130167  -0.138572  -0.183760
+    1SOL     H5    5   0.078211  -0.097022  -0.114937
+    1SOL     H6    6   0.172980  -0.212326  -0.140291
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/586/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036129  -0.069195  -0.055400
+    0SOL     H3    3  -0.015358  -0.030403   0.089455
+    1SOL     O4    4  -0.125304  -0.166207   0.312772
+    1SOL     H5    5  -0.184123  -0.181423   0.238805
+    1SOL     H6    6  -0.051418  -0.225028   0.297175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/587/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017883  -0.048389  -0.080629
+    0SOL     H3    3  -0.052706  -0.044087   0.066639
+    1SOL     O4    4  -0.175725  -0.019001   0.230985
+    1SOL     H5    5  -0.249001  -0.080587   0.230978
+    1SOL     H6    6  -0.135911  -0.029083   0.317447
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/588/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052439  -0.080077  -0.000476
+    0SOL     H3    3  -0.053684  -0.005998  -0.079021
+    1SOL     O4    4   0.190612  -0.227716   0.002703
+    1SOL     H5    5   0.237401  -0.146982   0.024037
+    1SOL     H6    6   0.176657  -0.270417   0.087227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/589/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086937  -0.020291   0.034533
+    0SOL     H3    3  -0.051525  -0.078893   0.016837
+    1SOL     O4    4  -0.098203   0.240854  -0.040606
+    1SOL     H5    5  -0.059144   0.155884  -0.020191
+    1SOL     H6    6  -0.087158   0.292194   0.039422
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/590/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064054   0.067206   0.023297
+    0SOL     H3    3  -0.013607  -0.049266   0.080932
+    1SOL     O4    4   0.037878  -0.166852   0.252072
+    1SOL     H5    5   0.117410  -0.154762   0.303945
+    1SOL     H6    6  -0.030063  -0.120656   0.301187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/591/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073987   0.037545  -0.047735
+    0SOL     H3    3  -0.006276   0.052572   0.079744
+    1SOL     O4    4   0.386139  -0.154683   0.281730
+    1SOL     H5    5   0.383383  -0.222401   0.214137
+    1SOL     H6    6   0.321039  -0.182442   0.346180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/592/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051924   0.063030   0.049934
+    0SOL     H3    3  -0.018812   0.044511  -0.082627
+    1SOL     O4    4   0.130713  -0.276780  -0.002273
+    1SOL     H5    5   0.154216  -0.250093  -0.091142
+    1SOL     H6    6   0.067648  -0.210855   0.026694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/593/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047861  -0.078575   0.026412
+    0SOL     H3    3   0.019223  -0.013657  -0.092770
+    1SOL     O4    4  -0.160810  -0.208567   0.049094
+    1SOL     H5    5  -0.114657  -0.279454   0.093896
+    1SOL     H6    6  -0.240713  -0.195856   0.100244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/594/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088072  -0.035724  -0.011380
+    0SOL     H3    3   0.013960   0.092946   0.018124
+    1SOL     O4    4   0.302125  -0.054869   0.018211
+    1SOL     H5    5   0.290312  -0.146559  -0.006604
+    1SOL     H6    6   0.302879  -0.055816   0.113923
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/595/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077102   0.056653  -0.002839
+    0SOL     H3    3  -0.005570  -0.037375  -0.087945
+    1SOL     O4    4  -0.170556   0.186570   0.081980
+    1SOL     H5    5  -0.127321   0.107613   0.049441
+    1SOL     H6    6  -0.236408   0.154260   0.143478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/596/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087643   0.029568  -0.024635
+    0SOL     H3    3  -0.010922  -0.037126   0.087548
+    1SOL     O4    4  -0.220790   0.104918  -0.146324
+    1SOL     H5    5  -0.300720   0.069279  -0.107549
+    1SOL     H6    6  -0.202425   0.047386  -0.220588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/597/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054699  -0.048751  -0.061593
+    0SOL     H3    3   0.053294   0.006831   0.079218
+    1SOL     O4    4   0.117847   0.054292   0.240481
+    1SOL     H5    5   0.140796   0.145588   0.257823
+    1SOL     H6    6   0.201668   0.011268   0.223591
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/598/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084093  -0.011322  -0.044301
+    0SOL     H3    3  -0.002404  -0.062563   0.072405
+    1SOL     O4    4  -0.194410  -0.057555  -0.161035
+    1SOL     H5    5  -0.205386  -0.015611  -0.246373
+    1SOL     H6    6  -0.283709  -0.072941  -0.130194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/599/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034102   0.076430  -0.046452
+    0SOL     H3    3   0.008123   0.022631   0.092651
+    1SOL     O4    4   0.121077  -0.018995   0.286958
+    1SOL     H5    5   0.091800   0.072134   0.287759
+    1SOL     H6    6   0.080867  -0.057803   0.364672
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/000/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071856  -0.054827  -0.031511
+    0SOL     H3    3  -0.014940   0.085125  -0.041144
+    1SOL     O4    4   0.286367  -0.060441  -0.010420
+    1SOL     H5    5   0.192025  -0.044352  -0.008696
+    1SOL     H6    6   0.324596   0.016406   0.031953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/001/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065894   0.066405   0.020267
+    0SOL     H3    3   0.023940  -0.074976   0.054477
+    1SOL     O4    4  -0.236790   0.104512   0.046088
+    1SOL     H5    5  -0.153601   0.057165   0.046279
+    1SOL     H6    6  -0.303363   0.036035   0.039663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/002/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080998  -0.045784   0.022483
+    0SOL     H3    3  -0.006872  -0.008674  -0.095078
+    1SOL     O4    4  -0.161845  -0.274053  -0.078817
+    1SOL     H5    5  -0.235865  -0.332859  -0.093826
+    1SOL     H6    6  -0.193406  -0.188124  -0.106788
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/003/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078377  -0.054636   0.005853
+    0SOL     H3    3  -0.031868   0.084307  -0.032235
+    1SOL     O4    4  -0.220614  -0.154978  -0.032644
+    1SOL     H5    5  -0.210808  -0.249493  -0.021106
+    1SOL     H6    6  -0.297677  -0.132314   0.019415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/004/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094878  -0.012630   0.001000
+    0SOL     H3    3  -0.033640  -0.074737  -0.049447
+    1SOL     O4    4   0.250439  -0.101366  -0.026246
+    1SOL     H5    5   0.332178  -0.053201  -0.013547
+    1SOL     H6    6   0.266730  -0.187085   0.013114
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/005/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077163   0.055209  -0.012659
+    0SOL     H3    3   0.030500  -0.071400   0.055983
+    1SOL     O4    4   0.196008   0.185428   0.011601
+    1SOL     H5    5   0.180127   0.279677   0.006380
+    1SOL     H6    6   0.283695   0.173804  -0.024981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/006/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079503  -0.053252   0.002413
+    0SOL     H3    3  -0.027642   0.082608  -0.039676
+    1SOL     O4    4  -0.213276  -0.177831  -0.014811
+    1SOL     H5    5  -0.206620  -0.272153   0.000067
+    1SOL     H6    6  -0.295673  -0.152708   0.026923
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/007/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083304  -0.047120   0.001606
+    0SOL     H3    3  -0.064137  -0.065571  -0.027372
+    1SOL     O4    4  -0.141170  -0.221898  -0.141277
+    1SOL     H5    5  -0.221293  -0.269377  -0.119176
+    1SOL     H6    6  -0.156688  -0.188446  -0.229608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/008/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068991  -0.065604  -0.009931
+    0SOL     H3    3  -0.037965   0.080331  -0.035608
+    1SOL     O4    4  -0.104566   0.218577  -0.157065
+    1SOL     H5    5  -0.111842   0.306506  -0.119945
+    1SOL     H6    6  -0.070447   0.232566  -0.245397
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/009/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075260   0.059049   0.003381
+    0SOL     H3    3   0.030205  -0.079877   0.043240
+    1SOL     O4    4  -0.271637   0.063548   0.015131
+    1SOL     H5    5  -0.182380   0.033052  -0.001163
+    1SOL     H6    6  -0.325788   0.012586  -0.045143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/010/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088619  -0.032882  -0.015092
+    0SOL     H3    3   0.002152   0.084594  -0.044738
+    1SOL     O4    4   0.069209   0.020295   0.266772
+    1SOL     H5    5  -0.005247  -0.029573   0.300416
+    1SOL     H6    6   0.055994   0.022144   0.171987
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/011/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070011   0.065180  -0.003523
+    0SOL     H3    3   0.038501  -0.074067   0.046842
+    1SOL     O4    4   0.099323  -0.220098   0.132922
+    1SOL     H5    5   0.072043  -0.305900   0.100426
+    1SOL     H6    6   0.082908  -0.223794   0.227152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/012/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075282  -0.057194   0.014958
+    0SOL     H3    3   0.012752  -0.001428  -0.094856
+    1SOL     O4    4  -0.104135  -0.024105   0.339038
+    1SOL     H5    5  -0.185894  -0.073806   0.341772
+    1SOL     H6    6  -0.130595   0.064229   0.313362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/013/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053387   0.078491   0.012302
+    0SOL     H3    3   0.044778  -0.067679   0.050762
+    1SOL     O4    4   0.169602   0.104126   0.322683
+    1SOL     H5    5   0.178433   0.192600   0.358131
+    1SOL     H6    6   0.178995   0.115134   0.228063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/014/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082905  -0.032949   0.034689
+    0SOL     H3    3  -0.021211   0.030051  -0.088370
+    1SOL     O4    4   0.205382  -0.149027   0.053474
+    1SOL     H5    5   0.134788  -0.104269   0.006832
+    1SOL     H6    6   0.195053  -0.121665   0.144616
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/015/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086762   0.038658  -0.011843
+    0SOL     H3    3   0.056167   0.073848   0.023538
+    1SOL     O4    4  -0.257408   0.092136   0.023435
+    1SOL     H5    5  -0.324372   0.024252   0.015076
+    1SOL     H6    6  -0.292645   0.166715  -0.025131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/016/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081548  -0.044761   0.022554
+    0SOL     H3    3  -0.012329   0.028096  -0.090670
+    1SOL     O4    4   0.207544  -0.170424   0.044194
+    1SOL     H5    5   0.130854  -0.119340   0.018283
+    1SOL     H6    6   0.213388  -0.158536   0.138993
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/017/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067158   0.014239   0.066703
+    0SOL     H3    3   0.009979  -0.095111  -0.004088
+    1SOL     O4    4   0.200719   0.175904   0.017629
+    1SOL     H5    5   0.126422   0.115602   0.015195
+    1SOL     H6    6   0.167696   0.256303  -0.022468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/018/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077003  -0.036290   0.043771
+    0SOL     H3    3  -0.024739   0.004390  -0.092364
+    1SOL     O4    4  -0.081524  -0.005728  -0.257907
+    1SOL     H5    5  -0.154141  -0.068000  -0.261254
+    1SOL     H6    6  -0.112616   0.070079  -0.307395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/019/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066218   0.069089   0.002044
+    0SOL     H3    3   0.038456  -0.071603   0.050561
+    1SOL     O4    4   0.289530  -0.100542  -0.155620
+    1SOL     H5    5   0.217200  -0.162962  -0.149751
+    1SOL     H6    6   0.256254  -0.030452  -0.211679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/020/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027100   0.087883   0.026543
+    0SOL     H3    3   0.012548  -0.001350  -0.094884
+    1SOL     O4    4   0.030972   0.064653  -0.288457
+    1SOL     H5    5   0.024246   0.159989  -0.283158
+    1SOL     H6    6   0.119187   0.048645  -0.321985
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/021/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091412   0.027286   0.007856
+    0SOL     H3    3   0.048774   0.064447   0.051283
+    1SOL     O4    4  -0.244874   0.096170   0.024991
+    1SOL     H5    5  -0.314598   0.030637   0.022476
+    1SOL     H6    6  -0.284770   0.175079  -0.011669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/022/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080763   0.047910  -0.018557
+    0SOL     H3    3   0.029432  -0.083237   0.036983
+    1SOL     O4    4  -0.086586   0.006791  -0.238802
+    1SOL     H5    5  -0.024621   0.069991  -0.275249
+    1SOL     H6    6  -0.059594  -0.003386  -0.147532
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/023/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061753   0.072362   0.010613
+    0SOL     H3    3   0.044997  -0.075659   0.037594
+    1SOL     O4    4  -0.108630   0.006584  -0.278141
+    1SOL     H5    5  -0.036076   0.040554  -0.330528
+    1SOL     H6    6  -0.078264   0.013669  -0.187642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/024/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016766  -0.081164  -0.047892
+    0SOL     H3    3  -0.008054  -0.024436   0.092197
+    1SOL     O4    4  -0.109707   0.243089  -0.113284
+    1SOL     H5    5  -0.037758   0.306011  -0.108144
+    1SOL     H6    6  -0.077184   0.165644  -0.067384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/025/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075085  -0.058601   0.009508
+    0SOL     H3    3  -0.033652   0.074155  -0.050307
+    1SOL     O4    4  -0.223577  -0.166837  -0.026010
+    1SOL     H5    5  -0.194314  -0.257864  -0.030490
+    1SOL     H6    6  -0.308765  -0.171124   0.017429
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/026/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066604  -0.068730   0.001526
+    0SOL     H3    3  -0.036774   0.067801  -0.056683
+    1SOL     O4    4  -0.243731  -0.172516  -0.018035
+    1SOL     H5    5  -0.212717  -0.262671  -0.026557
+    1SOL     H6    6  -0.316887  -0.178015   0.043449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/027/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074266  -0.059191   0.011967
+    0SOL     H3    3  -0.037325   0.076948  -0.042990
+    1SOL     O4    4  -0.168089  -0.097262  -0.292117
+    1SOL     H5    5  -0.191848  -0.185085  -0.321864
+    1SOL     H6    6  -0.170635  -0.102772  -0.196590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/028/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005378  -0.089645  -0.033124
+    0SOL     H3    3  -0.003595  -0.009334   0.095196
+    1SOL     O4    4   0.166895   0.083926  -0.321558
+    1SOL     H5    5   0.103696   0.012103  -0.318465
+    1SOL     H6    6   0.125195   0.150233  -0.376575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/029/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005990  -0.082578  -0.048034
+    0SOL     H3    3  -0.035786  -0.019911   0.086517
+    1SOL     O4    4   0.264131   0.120245  -0.042648
+    1SOL     H5    5   0.187572   0.079562  -0.002078
+    1SOL     H6    6   0.237583   0.136380  -0.133187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/030/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060092   0.074124   0.007542
+    0SOL     H3    3   0.026307  -0.059465   0.070244
+    1SOL     O4    4   0.184103   0.185551   0.058684
+    1SOL     H5    5   0.269036   0.180015   0.014889
+    1SOL     H6    6   0.161466   0.278501   0.055487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/031/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080982  -0.050856  -0.004234
+    0SOL     H3    3  -0.024312   0.086608  -0.032716
+    1SOL     O4    4  -0.147300  -0.069307  -0.294581
+    1SOL     H5    5  -0.153547  -0.162530  -0.315383
+    1SOL     H6    6  -0.176699  -0.062972  -0.203709
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/032/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078546  -0.041271   0.035909
+    0SOL     H3    3  -0.016075   0.004235  -0.094266
+    1SOL     O4    4  -0.253263  -0.113790   0.037222
+    1SOL     H5    5  -0.279687  -0.201484   0.009404
+    1SOL     H6    6  -0.280154  -0.108587   0.128940
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/033/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002064  -0.080972  -0.051006
+    0SOL     H3    3  -0.017167  -0.028587   0.089724
+    1SOL     O4    4  -0.180298   0.215537   0.230075
+    1SOL     H5    5  -0.107327   0.260781   0.187760
+    1SOL     H6    6  -0.150832   0.201381   0.320040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/034/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080236   0.051184  -0.010228
+    0SOL     H3    3   0.030002  -0.086074   0.029213
+    1SOL     O4    4   0.160768   0.053101   0.276644
+    1SOL     H5    5   0.170038   0.146443   0.295713
+    1SOL     H6    6   0.213117   0.039423   0.197684
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/035/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090935   0.029092   0.006846
+    0SOL     H3    3   0.050375   0.067955   0.044798
+    1SOL     O4    4   0.120329   0.225944   0.124459
+    1SOL     H5    5   0.203703   0.264668   0.097785
+    1SOL     H6    6   0.132344   0.204475   0.216964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/036/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063396  -0.071488  -0.005718
+    0SOL     H3    3  -0.050886   0.078789  -0.019110
+    1SOL     O4    4   0.143872   0.282996   0.093590
+    1SOL     H5    5   0.212615   0.226611   0.129049
+    1SOL     H6    6   0.134754   0.255287   0.002423
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/037/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077370   0.036851  -0.042640
+    0SOL     H3    3   0.022584  -0.002153   0.092993
+    1SOL     O4    4   0.064927  -0.000180   0.285280
+    1SOL     H5    5   0.127814   0.071970   0.286679
+    1SOL     H6    6   0.111956  -0.073769   0.324462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/038/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075158  -0.030172   0.051022
+    0SOL     H3    3  -0.030788  -0.000434  -0.090632
+    1SOL     O4    4  -0.265256  -0.085696   0.027111
+    1SOL     H5    5  -0.274745  -0.170098  -0.017032
+    1SOL     H6    6  -0.281691  -0.104915   0.119430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/039/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069388   0.060871   0.025345
+    0SOL     H3    3   0.016348  -0.078279   0.052607
+    1SOL     O4    4  -0.183475  -0.288290  -0.058439
+    1SOL     H5    5  -0.252621  -0.240332  -0.104059
+    1SOL     H6    6  -0.180187  -0.248635   0.028618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/040/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095557  -0.004306  -0.003541
+    0SOL     H3    3  -0.029347  -0.067072  -0.061663
+    1SOL     O4    4  -0.037283   0.261907  -0.043445
+    1SOL     H5    5  -0.120421   0.292273  -0.006999
+    1SOL     H6    6  -0.048022   0.167181  -0.052045
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/041/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073454   0.061210   0.004503
+    0SOL     H3    3   0.029161  -0.076205   0.050048
+    1SOL     O4    4   0.107682  -0.212173   0.127744
+    1SOL     H5    5   0.106910  -0.298619   0.086648
+    1SOL     H6    6   0.075727  -0.227579   0.216648
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/042/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090271  -0.024824  -0.019933
+    0SOL     H3    3  -0.053401  -0.065125  -0.045491
+    1SOL     O4    4  -0.236731  -0.197268   0.214869
+    1SOL     H5    5  -0.314886  -0.251962   0.206961
+    1SOL     H6    6  -0.262109  -0.113425   0.176285
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/043/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064456  -0.068525  -0.017664
+    0SOL     H3    3  -0.036773   0.078551  -0.040496
+    1SOL     O4    4   0.084152  -0.003963   0.259140
+    1SOL     H5    5   0.016666  -0.050885   0.308194
+    1SOL     H6    6   0.043996   0.013838   0.174093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/044/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001186  -0.092495  -0.024607
+    0SOL     H3    3  -0.031005   0.000346   0.090559
+    1SOL     O4    4  -0.141978   0.183180  -0.138299
+    1SOL     H5    5  -0.089623   0.261019  -0.157332
+    1SOL     H6    6  -0.085005   0.128600  -0.084101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/045/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025638  -0.087102   0.030301
+    0SOL     H3    3  -0.092221   0.007734   0.024451
+    1SOL     O4    4  -0.252897   0.077106   0.068511
+    1SOL     H5    5  -0.334550   0.029397   0.083304
+    1SOL     H6    6  -0.278183   0.151643   0.014039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/046/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059945   0.060662  -0.043464
+    0SOL     H3    3   0.034270  -0.007951   0.089021
+    1SOL     O4    4   0.261702   0.127038  -0.043194
+    1SOL     H5    5   0.271939   0.221992  -0.036781
+    1SOL     H6    6   0.269835   0.108285  -0.136706
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/047/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064352  -0.070837  -0.001782
+    0SOL     H3    3  -0.048771   0.077440  -0.028050
+    1SOL     O4    4  -0.032064   0.282188   0.211327
+    1SOL     H5    5   0.056454   0.257717   0.184347
+    1SOL     H6    6  -0.037335   0.376168   0.193940
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/048/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007328  -0.083420  -0.046366
+    0SOL     H3    3  -0.004448  -0.023576   0.092665
+    1SOL     O4    4   0.247855   0.115729  -0.061390
+    1SOL     H5    5   0.171202   0.068906  -0.028311
+    1SOL     H6    6   0.229070   0.130006  -0.154157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/049/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081198   0.026282  -0.043340
+    0SOL     H3    3   0.025243  -0.015216   0.091069
+    1SOL     O4    4   0.142375  -0.268366   0.044712
+    1SOL     H5    5   0.137199  -0.362276   0.026919
+    1SOL     H6    6   0.061546  -0.248397   0.091937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/050/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092735  -0.020956  -0.011107
+    0SOL     H3    3  -0.046208  -0.073451  -0.040400
+    1SOL     O4    4   0.271937  -0.054795  -0.050825
+    1SOL     H5    5   0.331355   0.014390  -0.079898
+    1SOL     H6    6   0.327386  -0.114525  -0.000625
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/051/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078152  -0.030953   0.045787
+    0SOL     H3    3  -0.032831   0.033952  -0.083257
+    1SOL     O4    4   0.133553   0.207954   0.130770
+    1SOL     H5    5   0.222998   0.175123   0.121605
+    1SOL     H6    6   0.078886   0.140004   0.091316
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/052/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083683  -0.045968   0.006807
+    0SOL     H3    3  -0.022572   0.085711  -0.036146
+    1SOL     O4    4  -0.226528  -0.163164  -0.012027
+    1SOL     H5    5  -0.212860  -0.256261   0.005535
+    1SOL     H6    6  -0.311552  -0.143548   0.027324
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/053/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084043   0.043649  -0.013922
+    0SOL     H3    3   0.023272  -0.089004   0.026439
+    1SOL     O4    4  -0.262229   0.097939   0.025881
+    1SOL     H5    5  -0.174764   0.063787   0.007282
+    1SOL     H6    6  -0.321337   0.026109   0.003321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/054/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007208   0.094451   0.013764
+    0SOL     H3    3   0.026145  -0.013033  -0.091153
+    1SOL     O4    4  -0.244041  -0.089138   0.076466
+    1SOL     H5    5  -0.162987  -0.039863   0.063642
+    1SOL     H6    6  -0.238832  -0.120863   0.166626
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/055/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077444  -0.045194   0.033500
+    0SOL     H3    3  -0.016329   0.009234  -0.093864
+    1SOL     O4    4   0.215491  -0.164570   0.068411
+    1SOL     H5    5   0.147439  -0.123478   0.015095
+    1SOL     H6    6   0.197672  -0.134406   0.157489
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/056/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088422  -0.032234   0.017458
+    0SOL     H3    3  -0.002441   0.028486  -0.091350
+    1SOL     O4    4   0.150638   0.167833   0.170051
+    1SOL     H5    5   0.234578   0.122260   0.176321
+    1SOL     H6    6   0.103003   0.121065   0.101450
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/057/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087338   0.025804   0.029471
+    0SOL     H3    3  -0.007563  -0.092067   0.025076
+    1SOL     O4    4  -0.285993   0.057548   0.008934
+    1SOL     H5    5  -0.191530   0.053800  -0.006067
+    1SOL     H6    6  -0.322302  -0.008495  -0.050077
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/058/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025986  -0.091986  -0.005060
+    0SOL     H3    3  -0.004057   0.020986   0.093303
+    1SOL     O4    4  -0.133789   0.215699  -0.141458
+    1SOL     H5    5  -0.053749   0.264761  -0.122781
+    1SOL     H6    6  -0.121431   0.131811  -0.097047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/059/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086344  -0.035233   0.021579
+    0SOL     H3    3  -0.004190   0.017938  -0.093931
+    1SOL     O4    4   0.224316  -0.141372   0.085188
+    1SOL     H5    5   0.146751  -0.088453   0.066599
+    1SOL     H6    6   0.231687  -0.140455   0.180619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/060/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017350  -0.091197   0.023334
+    0SOL     H3    3  -0.084702   0.019351   0.040167
+    1SOL     O4    4   0.048067  -0.263393   0.054466
+    1SOL     H5    5   0.133000  -0.302386   0.033769
+    1SOL     H6    6  -0.015900  -0.323802   0.016766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/061/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090552  -0.027974  -0.013423
+    0SOL     H3    3  -0.051088  -0.054562  -0.059794
+    1SOL     O4    4   0.258699  -0.090704  -0.075125
+    1SOL     H5    5   0.320523  -0.017680  -0.072377
+    1SOL     H6    6   0.291251  -0.152196  -0.009387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/062/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082125  -0.032269   0.037101
+    0SOL     H3    3  -0.014525  -0.000623  -0.094609
+    1SOL     O4    4   0.224334  -0.158498   0.051863
+    1SOL     H5    5   0.140877  -0.118674   0.027138
+    1SOL     H6    6   0.246091  -0.118353   0.135990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/063/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078127  -0.055166  -0.003910
+    0SOL     H3    3  -0.029264   0.085350  -0.031957
+    1SOL     O4    4  -0.086236   0.264586   0.206751
+    1SOL     H5    5  -0.115625   0.354832   0.219169
+    1SOL     H6    6   0.004363   0.272735   0.176956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/064/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085356   0.040998  -0.013992
+    0SOL     H3    3   0.052265   0.067538   0.043236
+    1SOL     O4    4   0.141319   0.183451   0.114924
+    1SOL     H5    5   0.220677   0.236763   0.110195
+    1SOL     H6    6   0.130566   0.164639   0.208159
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/065/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.041139  -0.085628  -0.011740
+    0SOL     H3    3  -0.011592   0.019651   0.092961
+    1SOL     O4    4   0.241652   0.115267  -0.058015
+    1SOL     H5    5   0.167066   0.063676  -0.027395
+    1SOL     H6    6   0.223333   0.131340  -0.150580
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/066/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017612  -0.093278  -0.012305
+    0SOL     H3    3  -0.006169   0.013314   0.094589
+    1SOL     O4    4   0.246658   0.112096  -0.056708
+    1SOL     H5    5   0.162930   0.083325  -0.020319
+    1SOL     H6    6   0.224284   0.148981  -0.142155
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/067/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007760   0.069712   0.065133
+    0SOL     H3    3   0.024074   0.045256  -0.080837
+    1SOL     O4    4  -0.172935   0.426162  -0.004562
+    1SOL     H5    5  -0.253465   0.378083   0.014559
+    1SOL     H6    6  -0.164507   0.421941  -0.099817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/068/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081564  -0.039340   0.031016
+    0SOL     H3    3  -0.012308   0.009441  -0.094455
+    1SOL     O4    4  -0.252410  -0.107241   0.063163
+    1SOL     H5    5  -0.255115  -0.194924   0.024868
+    1SOL     H6    6  -0.270364  -0.121103   0.156157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/069/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068477   0.065471   0.013669
+    0SOL     H3    3   0.025242  -0.073230   0.056237
+    1SOL     O4    4  -0.123431  -0.030195  -0.278685
+    1SOL     H5    5  -0.033430  -0.003423  -0.297270
+    1SOL     H6    6  -0.126746  -0.038715  -0.183403
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/070/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007910   0.095392   0.000214
+    0SOL     H3    3   0.077112  -0.017566  -0.053921
+    1SOL     O4    4   0.238651   0.204021   0.178081
+    1SOL     H5    5   0.273305   0.115181   0.186375
+    1SOL     H6    6   0.158196   0.203336   0.229934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/071/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088832   0.027325  -0.022902
+    0SOL     H3    3   0.008769   0.022144   0.092710
+    1SOL     O4    4  -0.219625   0.159921   0.004418
+    1SOL     H5    5  -0.309664   0.128437   0.012417
+    1SOL     H6    6  -0.209543   0.180436  -0.088533
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/072/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066421   0.038398  -0.057238
+    0SOL     H3    3   0.044628  -0.012087   0.083813
+    1SOL     O4    4  -0.205191   0.195400  -0.023279
+    1SOL     H5    5  -0.137017   0.129970  -0.007997
+    1SOL     H6    6  -0.242168   0.172091  -0.108436
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/073/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069823  -0.044160   0.048341
+    0SOL     H3    3   0.004877  -0.036836  -0.088214
+    1SOL     O4    4   0.049482  -0.070687  -0.262117
+    1SOL     H5    5   0.134613  -0.114341  -0.259069
+    1SOL     H6    6  -0.011295  -0.138628  -0.291315
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/074/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092532  -0.023867  -0.005516
+    0SOL     H3    3  -0.043060  -0.055707  -0.064845
+    1SOL     O4    4   0.269517  -0.056288  -0.065110
+    1SOL     H5    5   0.327105   0.018836  -0.050887
+    1SOL     H6    6   0.317736  -0.130669  -0.028989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/075/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035837   0.086656  -0.019202
+    0SOL     H3    3   0.083533  -0.002307  -0.046682
+    1SOL     O4    4  -0.032205   0.275091  -0.065296
+    1SOL     H5    5  -0.123244   0.293276  -0.041983
+    1SOL     H6    6   0.016850   0.349453  -0.030279
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/076/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083479  -0.045676   0.010355
+    0SOL     H3    3  -0.058991  -0.065842  -0.036706
+    1SOL     O4    4  -0.038637   0.289602   0.019816
+    1SOL     H5    5  -0.019940   0.197214   0.003167
+    1SOL     H6    6  -0.115932   0.288650   0.076269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/077/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029899   0.075702   0.050374
+    0SOL     H3    3   0.038150   0.012417  -0.086906
+    1SOL     O4    4   0.145374  -0.223014   0.139103
+    1SOL     H5    5   0.066678  -0.276980   0.146649
+    1SOL     H6    6   0.112712  -0.136041   0.116055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/078/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072572   0.051145  -0.035775
+    0SOL     H3    3  -0.011254   0.005495   0.094897
+    1SOL     O4    4  -0.036334   0.024834   0.257098
+    1SOL     H5    5  -0.124846   0.060723   0.263419
+    1SOL     H6    6   0.020527   0.095798   0.286986
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/079/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019497   0.093706   0.001184
+    0SOL     H3    3   0.067058  -0.009708  -0.067612
+    1SOL     O4    4  -0.208894  -0.160684  -0.003879
+    1SOL     H5    5  -0.133158  -0.102149  -0.003841
+    1SOL     H6    6  -0.172895  -0.246519   0.018455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/080/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002064  -0.083807  -0.046201
+    0SOL     H3    3  -0.000692  -0.023697   0.092738
+    1SOL     O4    4  -0.037770  -0.271913  -0.036382
+    1SOL     H5    5   0.027853  -0.329424   0.002966
+    1SOL     H6    6  -0.045733  -0.302802  -0.126631
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/081/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075429   0.058734  -0.004802
+    0SOL     H3    3   0.036265  -0.083198   0.030419
+    1SOL     O4    4   0.136276  -0.229998   0.131999
+    1SOL     H5    5   0.124717  -0.320458   0.102918
+    1SOL     H6    6   0.112447  -0.231359   0.224696
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/082/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019890  -0.090176   0.025199
+    0SOL     H3    3  -0.082617   0.019600   0.044189
+    1SOL     O4    4  -0.244972   0.032440   0.152461
+    1SOL     H5    5  -0.317940   0.076287   0.108696
+    1SOL     H6    6  -0.259699   0.048564   0.245656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/083/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069212   0.048799  -0.044616
+    0SOL     H3    3  -0.017693   0.013013   0.093166
+    1SOL     O4    4  -0.206738   0.181728  -0.024135
+    1SOL     H5    5  -0.285726   0.141739   0.012254
+    1SOL     H6    6  -0.229901   0.202568  -0.114642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/084/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000928  -0.090479  -0.031224
+    0SOL     H3    3  -0.074290   0.040173  -0.045049
+    1SOL     O4    4   0.260374   0.083822  -0.062919
+    1SOL     H5    5   0.227533   0.130268  -0.139903
+    1SOL     H6    6   0.181823   0.049754  -0.020124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/085/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072396   0.048447  -0.039673
+    0SOL     H3    3  -0.012360   0.011291   0.094245
+    1SOL     O4    4  -0.020299  -0.267768  -0.030207
+    1SOL     H5    5  -0.025667  -0.174540  -0.009181
+    1SOL     H6    6  -0.016754  -0.270641  -0.125818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/086/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007085  -0.090622  -0.029997
+    0SOL     H3    3  -0.026604  -0.007077   0.091676
+    1SOL     O4    4   0.266607   0.071929  -0.053406
+    1SOL     H5    5   0.178628   0.050157  -0.022618
+    1SOL     H6    6   0.253586   0.103719  -0.142748
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/087/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077775  -0.052651   0.018475
+    0SOL     H3    3  -0.013756  -0.009753  -0.094223
+    1SOL     O4    4  -0.244657   0.010338   0.136983
+    1SOL     H5    5  -0.274994   0.100068   0.150787
+    1SOL     H6    6  -0.157511   0.020104   0.098611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/088/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066670   0.053951  -0.042506
+    0SOL     H3    3  -0.010409   0.018149   0.093406
+    1SOL     O4    4  -0.233933   0.193650  -0.026724
+    1SOL     H5    5  -0.298784   0.124395  -0.014057
+    1SOL     H6    6  -0.223362   0.199553  -0.121675
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/089/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082344  -0.034407   0.034612
+    0SOL     H3    3  -0.004083  -0.033219  -0.089678
+    1SOL     O4    4  -0.219517   0.015048   0.146539
+    1SOL     H5    5  -0.255688   0.103393   0.153545
+    1SOL     H6    6  -0.142135   0.025123   0.091107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/090/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014451   0.092078   0.021798
+    0SOL     H3    3   0.087845  -0.002175  -0.037957
+    1SOL     O4    4   0.220895  -0.009372  -0.145968
+    1SOL     H5    5   0.286447  -0.075030  -0.122425
+    1SOL     H6    6   0.213743  -0.015677  -0.241211
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/091/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072527   0.062286   0.004749
+    0SOL     H3    3   0.020912  -0.066252   0.065846
+    1SOL     O4    4  -0.099785  -0.026087  -0.262362
+    1SOL     H5    5  -0.011526  -0.002500  -0.290933
+    1SOL     H6    6  -0.090613  -0.044584  -0.168896
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/092/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086580  -0.029707  -0.027996
+    0SOL     H3    3  -0.059272  -0.070262  -0.026691
+    1SOL     O4    4  -0.113124  -0.227979  -0.134805
+    1SOL     H5    5  -0.196604  -0.261961  -0.102576
+    1SOL     H6    6  -0.134817  -0.186073  -0.218086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/093/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071311  -0.063840   0.001222
+    0SOL     H3    3  -0.077863  -0.051402  -0.021390
+    1SOL     O4    4  -0.162650  -0.209100  -0.177494
+    1SOL     H5    5  -0.250357  -0.239259  -0.153824
+    1SOL     H6    6  -0.164791  -0.201580  -0.272894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/094/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081881  -0.012160   0.048062
+    0SOL     H3    3   0.061775  -0.059591   0.042369
+    1SOL     O4    4   0.223040  -0.157512   0.040135
+    1SOL     H5    5   0.297261  -0.113591  -0.001392
+    1SOL     H6    6   0.241662  -0.152629   0.133899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/095/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087732   0.036722   0.010810
+    0SOL     H3    3   0.057093   0.059555   0.048538
+    1SOL     O4    4   0.320260  -0.023754  -0.079165
+    1SOL     H5    5   0.323571  -0.119150  -0.086299
+    1SOL     H6    6   0.305549  -0.007147   0.013949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/096/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063957  -0.059479   0.039168
+    0SOL     H3    3  -0.003263  -0.025589  -0.092178
+    1SOL     O4    4   0.006111   0.200447  -0.257897
+    1SOL     H5    5   0.021281   0.105954  -0.259735
+    1SOL     H6    6  -0.086405   0.209460  -0.235053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/097/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066157   0.047097  -0.050670
+    0SOL     H3    3  -0.009098   0.034152   0.088956
+    1SOL     O4    4  -0.051732   0.076037   0.257633
+    1SOL     H5    5  -0.142046   0.107124   0.263898
+    1SOL     H6    6   0.001239   0.150068   0.287228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/098/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073866  -0.056194   0.023419
+    0SOL     H3    3  -0.030541  -0.034272  -0.083994
+    1SOL     O4    4   0.202520  -0.215760   0.026840
+    1SOL     H5    5   0.281211  -0.173565  -0.007651
+    1SOL     H6    6   0.227691  -0.245743   0.114189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/099/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018838   0.087236  -0.034603
+    0SOL     H3    3   0.076131  -0.029670  -0.049861
+    1SOL     O4    4  -0.033769   0.251352  -0.040996
+    1SOL     H5    5  -0.122446   0.267733  -0.008896
+    1SOL     H6    6   0.021650   0.309816   0.010704
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/100/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079367   0.019214   0.049940
+    0SOL     H3    3   0.000814  -0.095381  -0.008008
+    1SOL     O4    4   0.004784   0.070249  -0.289198
+    1SOL     H5    5   0.022419  -0.018998  -0.318968
+    1SOL     H6    6   0.001684   0.063542  -0.193764
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/101/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083207  -0.032422   0.034463
+    0SOL     H3    3  -0.001276  -0.029280  -0.091123
+    1SOL     O4    4   0.021942  -0.046636  -0.256007
+    1SOL     H5    5   0.110243  -0.083389  -0.252205
+    1SOL     H6    6  -0.030124  -0.113786  -0.300079
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/102/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001497   0.081989   0.049375
+    0SOL     H3    3   0.025585   0.024985  -0.088789
+    1SOL     O4    4   0.029852   0.267524   0.065517
+    1SOL     H5    5  -0.052841   0.302547   0.032388
+    1SOL     H6    6   0.033692   0.297054   0.156487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/103/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062989   0.054239  -0.047465
+    0SOL     H3    3   0.034725  -0.004731   0.089073
+    1SOL     O4    4   0.033625   0.010157   0.282960
+    1SOL     H5    5   0.108218   0.066454   0.303668
+    1SOL     H6    6   0.054982  -0.073868   0.323532
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/104/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087560  -0.035404   0.015557
+    0SOL     H3    3   0.057259  -0.076705   0.000053
+    1SOL     O4    4   0.305757   0.101735  -0.189991
+    1SOL     H5    5   0.303946   0.079313  -0.096952
+    1SOL     H6    6   0.391275   0.142670  -0.203152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/105/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011134  -0.095043  -0.002289
+    0SOL     H3    3  -0.090430   0.012887   0.028611
+    1SOL     O4    4   0.039999  -0.283865   0.045289
+    1SOL     H5    5   0.120417  -0.334623   0.034388
+    1SOL     H6    6  -0.028482  -0.338964   0.007384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/106/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022677  -0.092828   0.005573
+    0SOL     H3    3  -0.076358   0.009511   0.056933
+    1SOL     O4    4  -0.236604   0.023613   0.152376
+    1SOL     H5    5  -0.318755   0.065519   0.126736
+    1SOL     H6    6  -0.221927   0.052649   0.242398
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/107/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090746   0.029892   0.005834
+    0SOL     H3    3   0.049977   0.065311   0.048980
+    1SOL     O4    4  -0.168416   0.114937   0.299421
+    1SOL     H5    5  -0.254322   0.089968   0.333466
+    1SOL     H6    6  -0.185326   0.142111   0.209210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/108/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081555  -0.048930   0.010818
+    0SOL     H3    3  -0.061948  -0.064039  -0.034984
+    1SOL     O4    4  -0.065567   0.280651  -0.007945
+    1SOL     H5    5  -0.149783   0.282998   0.037490
+    1SOL     H6    6  -0.053905   0.188778  -0.032143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/109/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084900   0.043972   0.004555
+    0SOL     H3    3   0.059962   0.058769   0.045967
+    1SOL     O4    4   0.140588   0.191212   0.165681
+    1SOL     H5    5   0.218711   0.237794   0.135864
+    1SOL     H6    6   0.157336   0.172997   0.258148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/110/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016734  -0.094246   0.000153
+    0SOL     H3    3  -0.091618   0.008150   0.026495
+    1SOL     O4    4   0.026004  -0.165671  -0.288385
+    1SOL     H5    5   0.089243  -0.222320  -0.244181
+    1SOL     H6    6   0.012135  -0.207071  -0.373567
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013550  -0.094755   0.000481
+    0SOL     H3    3  -0.082801   0.036243   0.031508
+    1SOL     O4    4   0.224525   0.158092   0.033339
+    1SOL     H5    5   0.148598   0.101544   0.019204
+    1SOL     H6    6   0.199279   0.242158  -0.004842
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/112/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074973   0.057467  -0.015453
+    0SOL     H3    3  -0.003508  -0.009809   0.095151
+    1SOL     O4    4   0.069638   0.002794   0.278855
+    1SOL     H5    5   0.141139   0.066099   0.285366
+    1SOL     H6    6   0.097276  -0.070383   0.334024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/113/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089012   0.030823   0.017001
+    0SOL     H3    3   0.056217   0.071890   0.028876
+    1SOL     O4    4   0.041502  -0.064608  -0.266881
+    1SOL     H5    5  -0.018301   0.000876  -0.302904
+    1SOL     H6    6   0.056461  -0.036388  -0.176647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/114/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079911  -0.026575  -0.045501
+    0SOL     H3    3  -0.009212   0.093134  -0.020087
+    1SOL     O4    4  -0.063119   0.255918  -0.060083
+    1SOL     H5    5  -0.157434   0.270422  -0.052548
+    1SOL     H6    6  -0.023663   0.331564  -0.016685
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/115/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031117  -0.089123   0.015846
+    0SOL     H3    3  -0.092454  -0.002114   0.024699
+    1SOL     O4    4   0.030651  -0.262537   0.075727
+    1SOL     H5    5   0.114118  -0.290986   0.038494
+    1SOL     H6    6  -0.034664  -0.318572   0.033818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/116/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091592  -0.027806  -0.000319
+    0SOL     H3    3  -0.046389  -0.069658  -0.046456
+    1SOL     O4    4  -0.173643  -0.218098  -0.144627
+    1SOL     H5    5  -0.244676  -0.278842  -0.123969
+    1SOL     H6    6  -0.197815  -0.180855  -0.229427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/117/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010868  -0.088125  -0.035751
+    0SOL     H3    3  -0.028906  -0.014074   0.090159
+    1SOL     O4    4  -0.013284  -0.077937   0.275474
+    1SOL     H5    5  -0.011896  -0.172774   0.262573
+    1SOL     H6    6  -0.095391  -0.061211   0.321744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/118/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022930   0.023346  -0.089953
+    0SOL     H3    3  -0.080887  -0.035394   0.036971
+    1SOL     O4    4  -0.249840  -0.080990   0.047878
+    1SOL     H5    5  -0.252039  -0.169192   0.010758
+    1SOL     H6    6  -0.284857  -0.091312   0.136363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/119/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017269   0.094072  -0.003815
+    0SOL     H3    3   0.079058  -0.012039  -0.052605
+    1SOL     O4    4  -0.226520  -0.145958   0.011524
+    1SOL     H5    5  -0.141957  -0.101121   0.010438
+    1SOL     H6    6  -0.207365  -0.232441   0.047801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/120/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079955   0.037817  -0.036596
+    0SOL     H3    3   0.003259   0.033029   0.089782
+    1SOL     O4    4  -0.037367  -0.258015  -0.040360
+    1SOL     H5    5  -0.033246  -0.165970  -0.014418
+    1SOL     H6    6  -0.012241  -0.258065  -0.132724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/121/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009634   0.090778   0.028789
+    0SOL     H3    3   0.020830   0.002106  -0.093402
+    1SOL     O4    4   0.023364   0.078217  -0.259473
+    1SOL     H5    5  -0.000540   0.170636  -0.252423
+    1SOL     H6    6   0.100168   0.077584  -0.316597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/122/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022051  -0.091236   0.018764
+    0SOL     H3    3  -0.078335   0.017004   0.052314
+    1SOL     O4    4  -0.243006   0.006473   0.167403
+    1SOL     H5    5  -0.321034   0.055990   0.142465
+    1SOL     H6    6  -0.233545   0.022295   0.261331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/123/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085535   0.014450   0.040463
+    0SOL     H3    3   0.002747  -0.094092  -0.017362
+    1SOL     O4    4   0.046925  -0.276575   0.017956
+    1SOL     H5    5   0.138976  -0.297448   0.002042
+    1SOL     H6    6  -0.001405  -0.335512  -0.039948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/124/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020096  -0.086318  -0.036163
+    0SOL     H3    3  -0.016879  -0.008760   0.093812
+    1SOL     O4    4  -0.054368  -0.265579  -0.054964
+    1SOL     H5    5   0.021870  -0.321541  -0.040187
+    1SOL     H6    6  -0.066251  -0.265798  -0.149943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/125/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024002   0.075775   0.053333
+    0SOL     H3    3   0.035370   0.019552  -0.086770
+    1SOL     O4    4   0.053747   0.279547   0.047300
+    1SOL     H5    5  -0.029538   0.317942   0.019881
+    1SOL     H6    6   0.067178   0.312347   0.136216
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/126/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082242  -0.038085   0.030791
+    0SOL     H3    3  -0.002446  -0.020527  -0.093461
+    1SOL     O4    4   0.040516  -0.052760  -0.265316
+    1SOL     H5    5   0.129918  -0.086438  -0.271255
+    1SOL     H6    6  -0.009759  -0.107349  -0.325771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/127/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090334   0.021000  -0.023687
+    0SOL     H3    3   0.004477  -0.024353   0.092462
+    1SOL     O4    4   0.274639   0.063362  -0.038238
+    1SOL     H5    5   0.270518   0.154000  -0.007743
+    1SOL     H6    6   0.284209   0.070408  -0.133217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/128/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074735  -0.034024   0.049188
+    0SOL     H3    3  -0.029446   0.000528  -0.091077
+    1SOL     O4    4  -0.272475  -0.067946   0.081253
+    1SOL     H5    5  -0.287919  -0.157275   0.050526
+    1SOL     H6    6  -0.291139  -0.071276   0.175077
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/129/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076050   0.058081  -0.002304
+    0SOL     H3    3   0.023678  -0.068056   0.063009
+    1SOL     O4    4   0.146471  -0.213145   0.133235
+    1SOL     H5    5   0.130214  -0.242277   0.222953
+    1SOL     H6    6   0.117130  -0.286082   0.078631
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/130/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002613  -0.091086  -0.029307
+    0SOL     H3    3  -0.008317  -0.005646   0.095191
+    1SOL     O4    4  -0.328889   0.028051   0.027272
+    1SOL     H5    5  -0.421592   0.051876   0.028297
+    1SOL     H6    6  -0.286636   0.093657   0.082705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/131/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091270  -0.028499   0.004461
+    0SOL     H3    3  -0.044859  -0.070392  -0.046851
+    1SOL     O4    4  -0.331692  -0.027039   0.049307
+    1SOL     H5    5  -0.311673   0.062372   0.077009
+    1SOL     H6    6  -0.324090  -0.024878  -0.046086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/132/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088474   0.036066   0.005825
+    0SOL     H3    3   0.052711   0.056486   0.056509
+    1SOL     O4    4   0.037976  -0.093937  -0.285743
+    1SOL     H5    5  -0.035934  -0.045589  -0.322649
+    1SOL     H6    6   0.048985  -0.057561  -0.197892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/133/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081306   0.033906   0.037443
+    0SOL     H3    3   0.067768   0.059668   0.031774
+    1SOL     O4    4   0.270678  -0.090926   0.238824
+    1SOL     H5    5   0.287074  -0.185173   0.242141
+    1SOL     H6    6   0.182676  -0.080587   0.275033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/134/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083767  -0.045966   0.005702
+    0SOL     H3    3  -0.024584  -0.006276  -0.092296
+    1SOL     O4    4   0.042934   0.270671   0.039960
+    1SOL     H5    5   0.030795   0.180825   0.009258
+    1SOL     H6    6   0.019682   0.267666   0.132765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/135/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076281  -0.048867   0.030912
+    0SOL     H3    3  -0.003134  -0.017392  -0.094075
+    1SOL     O4    4  -0.227497   0.011700   0.145703
+    1SOL     H5    5  -0.264363   0.098214   0.127857
+    1SOL     H6    6  -0.145293   0.010067   0.096692
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/136/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006529   0.095491  -0.001040
+    0SOL     H3    3   0.086393  -0.018550  -0.036803
+    1SOL     O4    4  -0.018834   0.276339  -0.038045
+    1SOL     H5    5  -0.106164   0.308979  -0.016354
+    1SOL     H6    6   0.040963   0.336262   0.006629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/137/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016320   0.092938   0.016080
+    0SOL     H3    3   0.019283  -0.012016  -0.092984
+    1SOL     O4    4   0.073290   0.087012  -0.258702
+    1SOL     H5    5   0.165428   0.093835  -0.283727
+    1SOL     H6    6   0.040539   0.176853  -0.262994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/138/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016017   0.086925  -0.036739
+    0SOL     H3    3  -0.080474  -0.048724  -0.017672
+    1SOL     O4    4  -0.215346  -0.166975  -0.035446
+    1SOL     H5    5  -0.181954  -0.256667  -0.033764
+    1SOL     H6    6  -0.226153  -0.147130  -0.128460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/139/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077054   0.049108  -0.028521
+    0SOL     H3    3   0.035552  -0.079557   0.039612
+    1SOL     O4    4   0.176232   0.109260   0.244831
+    1SOL     H5    5   0.166585   0.198607   0.277792
+    1SOL     H6    6   0.205258   0.120094   0.154263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/140/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082613   0.044057   0.019908
+    0SOL     H3    3   0.066353   0.051579   0.045817
+    1SOL     O4    4   0.146129   0.211595   0.148992
+    1SOL     H5    5   0.232618   0.234190   0.114766
+    1SOL     H6    6   0.157851   0.208904   0.243954
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/141/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086325   0.037341  -0.017773
+    0SOL     H3    3   0.003380  -0.025440   0.092215
+    1SOL     O4    4   0.253656   0.093315  -0.002216
+    1SOL     H5    5   0.266580   0.181752   0.032052
+    1SOL     H6    6   0.275914   0.100066  -0.095067
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030291   0.089170  -0.017132
+    0SOL     H3    3   0.082592  -0.006906  -0.047887
+    1SOL     O4    4  -0.041282  -0.085994   0.268123
+    1SOL     H5    5  -0.020930   0.005501   0.287536
+    1SOL     H6    6  -0.004259  -0.100875   0.181116
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071632  -0.063383   0.003706
+    0SOL     H3    3  -0.036053   0.074144  -0.048634
+    1SOL     O4    4  -0.092268   0.216362  -0.138634
+    1SOL     H5    5  -0.099450   0.311115  -0.127119
+    1SOL     H6    6  -0.087484   0.204000  -0.233431
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091300   0.028749  -0.000318
+    0SOL     H3    3   0.047044   0.069996   0.045274
+    1SOL     O4    4   0.022641  -0.278168   0.023959
+    1SOL     H5    5  -0.005974  -0.186911   0.027928
+    1SOL     H6    6   0.105960  -0.275169  -0.023065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/145/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093679  -0.015110  -0.012576
+    0SOL     H3    3  -0.042330  -0.056905  -0.064283
+    1SOL     O4    4  -0.145218  -0.191247  -0.150129
+    1SOL     H5    5  -0.218666  -0.226765  -0.100067
+    1SOL     H6    6  -0.182779  -0.168948  -0.235301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/146/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059011   0.058532  -0.047476
+    0SOL     H3    3   0.003122   0.035846   0.088700
+    1SOL     O4    4  -0.035686   0.063757   0.272132
+    1SOL     H5    5  -0.130598   0.072255   0.263078
+    1SOL     H6    6  -0.007114   0.148615   0.305971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/147/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094572   0.013988  -0.004782
+    0SOL     H3    3   0.033890   0.079181   0.041762
+    1SOL     O4    4  -0.189038   0.080531   0.321901
+    1SOL     H5    5  -0.269980   0.039103   0.351810
+    1SOL     H6    6  -0.188213   0.165784   0.365415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/148/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017073   0.076833   0.054475
+    0SOL     H3    3   0.013331   0.030718  -0.089672
+    1SOL     O4    4  -0.265974  -0.124412   0.016611
+    1SOL     H5    5  -0.192715  -0.064576   0.001945
+    1SOL     H6    6  -0.251842  -0.158454   0.104949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/149/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094846   0.007065   0.010804
+    0SOL     H3    3   0.034907   0.078263   0.042646
+    1SOL     O4    4   0.321636  -0.010552  -0.053047
+    1SOL     H5    5   0.314016  -0.102990  -0.076699
+    1SOL     H6    6   0.292834  -0.006663   0.038154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/150/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015836  -0.088323  -0.033326
+    0SOL     H3    3   0.001281  -0.010132   0.095174
+    1SOL     O4    4  -0.278487  -0.037794  -0.186698
+    1SOL     H5    5  -0.327588   0.027568  -0.236490
+    1SOL     H6    6  -0.287867  -0.010468  -0.095442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/151/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069009  -0.015060  -0.064601
+    0SOL     H3    3  -0.017968   0.093856  -0.005515
+    1SOL     O4    4  -0.072790   0.258859  -0.012382
+    1SOL     H5    5  -0.162591   0.291142  -0.019871
+    1SOL     H6    6  -0.020484   0.337174   0.004738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/152/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067420  -0.063995   0.022837
+    0SOL     H3    3  -0.012624  -0.011033  -0.094240
+    1SOL     O4    4  -0.155784  -0.313343  -0.032933
+    1SOL     H5    5  -0.226250  -0.375520  -0.051119
+    1SOL     H6    6  -0.178847  -0.235451  -0.083562
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/153/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003026   0.075160   0.059196
+    0SOL     H3    3   0.034285   0.033357  -0.082911
+    1SOL     O4    4   0.039393   0.080216  -0.245904
+    1SOL     H5    5   0.015526   0.172811  -0.250253
+    1SOL     H6    6   0.121595   0.074308  -0.294589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/154/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005163  -0.079975  -0.052341
+    0SOL     H3    3  -0.026075  -0.029958   0.087091
+    1SOL     O4    4   0.257278   0.094960  -0.041343
+    1SOL     H5    5   0.172171   0.061138  -0.013502
+    1SOL     H6    6   0.249630   0.103931  -0.136334
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/155/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094785  -0.010643   0.008055
+    0SOL     H3    3  -0.026843  -0.069071  -0.060589
+    1SOL     O4    4  -0.060642   0.069304   0.248268
+    1SOL     H5    5   0.002892   0.003287   0.275971
+    1SOL     H6    6  -0.067688   0.057565   0.153532
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/156/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087930  -0.037623   0.003900
+    0SOL     H3    3  -0.049769  -0.060913  -0.054543
+    1SOL     O4    4  -0.054077   0.067544   0.264545
+    1SOL     H5    5   0.020349   0.033261   0.314020
+    1SOL     H6    6  -0.046716   0.026317   0.178472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/157/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010682   0.093034  -0.019820
+    0SOL     H3    3   0.016243  -0.044299  -0.083283
+    1SOL     O4    4   0.335136   0.019967  -0.091098
+    1SOL     H5    5   0.426360  -0.006954  -0.080336
+    1SOL     H6    6   0.296338  -0.048140  -0.146040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/158/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075495  -0.045587   0.037210
+    0SOL     H3    3   0.020153   0.007641  -0.093262
+    1SOL     O4    4  -0.246042   0.015496   0.140657
+    1SOL     H5    5  -0.233023   0.108755   0.157848
+    1SOL     H6    6  -0.166497  -0.011815   0.094950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/159/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065531  -0.069399   0.007203
+    0SOL     H3    3  -0.048612   0.075582  -0.032963
+    1SOL     O4    4   0.122807   0.287145   0.041573
+    1SOL     H5    5   0.205269   0.245688   0.066943
+    1SOL     H6    6   0.106557   0.255790  -0.047393
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/160/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034269   0.085685  -0.025416
+    0SOL     H3    3   0.070416  -0.017191  -0.062517
+    1SOL     O4    4   0.248063   0.180394   0.122896
+    1SOL     H5    5   0.267526   0.090043   0.147802
+    1SOL     H6    6   0.169322   0.202559   0.172605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/161/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006971  -0.087425  -0.038349
+    0SOL     H3    3  -0.019785  -0.012839   0.092769
+    1SOL     O4    4   0.251734   0.126076  -0.039633
+    1SOL     H5    5   0.175554   0.086270   0.002492
+    1SOL     H6    6   0.222672   0.144985  -0.128852
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/162/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088842   0.016043   0.031812
+    0SOL     H3    3   0.052444   0.069948   0.038976
+    1SOL     O4    4   0.042124  -0.081618  -0.259631
+    1SOL     H5    5  -0.035252  -0.037178  -0.294277
+    1SOL     H6    6   0.047887  -0.052364  -0.168674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/163/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082511  -0.033154   0.035427
+    0SOL     H3    3  -0.019657   0.020543  -0.091400
+    1SOL     O4    4  -0.242384  -0.115985   0.027640
+    1SOL     H5    5  -0.247097  -0.206152  -0.004141
+    1SOL     H6    6  -0.262317  -0.122388   0.121042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/164/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007336   0.012208  -0.094654
+    0SOL     H3    3  -0.088086  -0.025029   0.027868
+    1SOL     O4    4   0.085736   0.205430   0.150226
+    1SOL     H5    5   0.175200   0.176389   0.132473
+    1SOL     H6    6   0.030378   0.140639   0.106637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/165/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068461   0.063944  -0.019664
+    0SOL     H3    3   0.047574  -0.078607   0.026833
+    1SOL     O4    4   0.111318  -0.235544   0.118531
+    1SOL     H5    5   0.074987  -0.317764   0.085632
+    1SOL     H6    6   0.081738  -0.230914   0.209449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/166/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081880  -0.040311   0.028862
+    0SOL     H3    3  -0.003719  -0.017848  -0.093968
+    1SOL     O4    4   0.055779   0.190925   0.321746
+    1SOL     H5    5   0.068525   0.098705   0.344004
+    1SOL     H6    6  -0.027089   0.214454   0.363479
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/167/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082963  -0.044033   0.018453
+    0SOL     H3    3  -0.025283   0.082157  -0.042112
+    1SOL     O4    4   0.086224   0.009231  -0.315159
+    1SOL     H5    5   0.020502  -0.037041  -0.263182
+    1SOL     H6    6   0.057692  -0.002398  -0.405785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/168/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087583  -0.028117   0.026475
+    0SOL     H3    3   0.000894  -0.005492  -0.095558
+    1SOL     O4    4   0.044851  -0.042779  -0.263695
+    1SOL     H5    5   0.137723  -0.063291  -0.252917
+    1SOL     H6    6   0.011274  -0.112449  -0.320095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/169/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082133  -0.030118   0.038852
+    0SOL     H3    3   0.009938  -0.017374  -0.093604
+    1SOL     O4    4   0.040953  -0.067446  -0.258804
+    1SOL     H5    5   0.131410  -0.097868  -0.266178
+    1SOL     H6    6  -0.006589  -0.117165  -0.325362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/170/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004738   0.094763  -0.012640
+    0SOL     H3    3   0.077223  -0.027009  -0.049694
+    1SOL     O4    4  -0.048078  -0.091990   0.266911
+    1SOL     H5    5  -0.018233  -0.010162   0.306608
+    1SOL     H6    6  -0.022431  -0.084815   0.174971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/171/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089412   0.027559   0.020207
+    0SOL     H3    3   0.020441  -0.065773   0.066471
+    1SOL     O4    4  -0.243513   0.097234   0.002273
+    1SOL     H5    5  -0.288340   0.020027  -0.032253
+    1SOL     H6    6  -0.281936   0.170693  -0.045578
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/172/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080194  -0.033354   0.040233
+    0SOL     H3    3  -0.018332  -0.000376  -0.093947
+    1SOL     O4    4  -0.239748  -0.100803  -0.004112
+    1SOL     H5    5  -0.249567  -0.176033  -0.062476
+    1SOL     H6    6  -0.254556  -0.136328   0.083529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/173/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074771  -0.052373   0.028786
+    0SOL     H3    3  -0.011875  -0.023652  -0.091989
+    1SOL     O4    4  -0.178566  -0.276602  -0.032816
+    1SOL     H5    5  -0.260016  -0.326868  -0.034042
+    1SOL     H6    6  -0.197542  -0.198871  -0.085353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/174/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022200  -0.090845  -0.020412
+    0SOL     H3    3  -0.043780   0.017257   0.083353
+    1SOL     O4    4  -0.015772  -0.082083  -0.360710
+    1SOL     H5    5  -0.000621  -0.176589  -0.361834
+    1SOL     H6    6  -0.077164  -0.068476  -0.288542
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/175/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012522  -0.091288  -0.025922
+    0SOL     H3    3  -0.031957   0.003951   0.090141
+    1SOL     O4    4   0.240703   0.104882  -0.045056
+    1SOL     H5    5   0.166943   0.065509   0.001543
+    1SOL     H6    6   0.204842   0.129487  -0.130326
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/176/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016535   0.092533   0.018070
+    0SOL     H3    3  -0.014827  -0.003723  -0.094491
+    1SOL     O4    4   0.062049   0.278317   0.043017
+    1SOL     H5    5  -0.015778   0.330279   0.022890
+    1SOL     H6    6   0.058865   0.266091   0.137900
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/177/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094800   0.012924   0.002890
+    0SOL     H3    3   0.036554   0.087557   0.012646
+    1SOL     O4    4   0.042305  -0.083496   0.346682
+    1SOL     H5    5  -0.044553  -0.052634   0.320883
+    1SOL     H6    6   0.054212  -0.050094   0.435592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/178/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012269  -0.094503   0.008999
+    0SOL     H3    3  -0.084976   0.017141   0.040591
+    1SOL     O4    4   0.052947  -0.251035   0.041147
+    1SOL     H5    5   0.145272  -0.274165   0.030976
+    1SOL     H6    6   0.005674  -0.332080   0.022193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/179/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041497  -0.060692   0.061293
+    0SOL     H3    3   0.026509   0.086773   0.030496
+    1SOL     O4    4   0.057763   0.068122  -0.262227
+    1SOL     H5    5   0.151217   0.059279  -0.280948
+    1SOL     H6    6   0.049743   0.046473  -0.169333
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/180/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002813   0.084442   0.044989
+    0SOL     H3    3  -0.003134   0.022262  -0.093042
+    1SOL     O4    4   0.030649   0.278540   0.064583
+    1SOL     H5    5  -0.029359   0.350144   0.043745
+    1SOL     H6    6   0.041124   0.282898   0.159629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/181/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025080  -0.089248  -0.023837
+    0SOL     H3    3  -0.010700   0.003356   0.095061
+    1SOL     O4    4  -0.277080  -0.048186  -0.226568
+    1SOL     H5    5  -0.341235   0.009184  -0.268463
+    1SOL     H6    6  -0.281766  -0.025622  -0.133664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/182/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.041421  -0.077703  -0.037534
+    0SOL     H3    3   0.091869  -0.024619   0.010784
+    1SOL     O4    4  -0.067144   0.286797  -0.034992
+    1SOL     H5    5  -0.055439   0.192939  -0.020296
+    1SOL     H6    6  -0.145464   0.309363   0.015199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/183/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006385   0.007869   0.095182
+    0SOL     H3    3   0.091843  -0.021567  -0.016190
+    1SOL     O4    4  -0.012168   0.059266   0.262196
+    1SOL     H5    5  -0.094548   0.062303   0.310844
+    1SOL     H6    6   0.029760  -0.021805   0.291036
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/184/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002519  -0.024202   0.092576
+    0SOL     H3    3  -0.005723  -0.083480  -0.046482
+    1SOL     O4    4   0.250647   0.113849  -0.044666
+    1SOL     H5    5   0.174659   0.076118  -0.000343
+    1SOL     H6    6   0.216718   0.144115  -0.128898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/185/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084724   0.042914  -0.011940
+    0SOL     H3    3   0.022533   0.016432   0.091567
+    1SOL     O4    4   0.222709  -0.024447  -0.180223
+    1SOL     H5    5   0.254600  -0.111983  -0.158251
+    1SOL     H6    6   0.137125  -0.018721  -0.137740
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/186/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016923   0.093922   0.007381
+    0SOL     H3    3   0.093928  -0.006169  -0.017371
+    1SOL     O4    4  -0.209206  -0.164668  -0.026125
+    1SOL     H5    5  -0.129449  -0.111962  -0.021311
+    1SOL     H6    6  -0.195206  -0.235207   0.037046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/187/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021333  -0.090300  -0.023517
+    0SOL     H3    3  -0.037701   0.011634   0.087210
+    1SOL     O4    4  -0.059393  -0.079048   0.276947
+    1SOL     H5    5  -0.021803  -0.166024   0.263367
+    1SOL     H6    6  -0.144516  -0.095744   0.317415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/188/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001388   0.092622   0.024116
+    0SOL     H3    3  -0.016943  -0.000019  -0.094209
+    1SOL     O4    4   0.297684  -0.030411  -0.072573
+    1SOL     H5    5   0.378261  -0.081517  -0.080180
+    1SOL     H6    6   0.231095  -0.084044  -0.115605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/189/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078678   0.045227  -0.030440
+    0SOL     H3    3  -0.001811   0.010110   0.095167
+    1SOL     O4    4   0.100667   0.247357  -0.204158
+    1SOL     H5    5   0.180321   0.261463  -0.255330
+    1SOL     H6    6   0.132081   0.222684  -0.117171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/190/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082227  -0.046610   0.015115
+    0SOL     H3    3  -0.060794  -0.067643  -0.029847
+    1SOL     O4    4  -0.033752   0.074284   0.265092
+    1SOL     H5    5   0.033278   0.019297   0.305659
+    1SOL     H6    6  -0.037209   0.044728   0.174115
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/191/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074765  -0.027052   0.053298
+    0SOL     H3    3   0.022498  -0.027822  -0.088781
+    1SOL     O4    4   0.001925   0.159848  -0.341873
+    1SOL     H5    5   0.017906   0.070327  -0.311993
+    1SOL     H6    6  -0.069487   0.191270  -0.286416
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/192/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013429   0.094773   0.000070
+    0SOL     H3    3   0.082300  -0.012542  -0.047241
+    1SOL     O4    4   0.221669   0.006685  -0.179078
+    1SOL     H5    5   0.298174  -0.026041  -0.131768
+    1SOL     H6    6   0.232443  -0.026691  -0.268142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/193/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071850  -0.042958   0.046416
+    0SOL     H3    3   0.006701   0.092061   0.025341
+    1SOL     O4    4   0.026392   0.065541   0.343068
+    1SOL     H5    5   0.029695   0.029020   0.431485
+    1SOL     H6    6  -0.052912   0.028191   0.304622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/194/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077392  -0.055091   0.011743
+    0SOL     H3    3  -0.035115   0.087452  -0.016776
+    1SOL     O4    4   0.108620   0.055042  -0.322021
+    1SOL     H5    5   0.043091   0.012579  -0.266656
+    1SOL     H6    6   0.076288   0.042677  -0.411263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/195/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018600  -0.012455   0.093066
+    0SOL     H3    3  -0.011577  -0.086816  -0.038616
+    1SOL     O4    4  -0.038054  -0.087249   0.254398
+    1SOL     H5    5  -0.050281  -0.181430   0.242451
+    1SOL     H6    6  -0.126850  -0.052256   0.261693
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/196/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064244   0.066235  -0.025456
+    0SOL     H3    3   0.012764   0.013772   0.093860
+    1SOL     O4    4   0.234115  -0.017806  -0.173598
+    1SOL     H5    5   0.238515  -0.113419  -0.174634
+    1SOL     H6    6   0.155484   0.002051  -0.122754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/197/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087540   0.001190   0.038699
+    0SOL     H3    3   0.028364  -0.091105   0.007603
+    1SOL     O4    4  -0.277901   0.095818  -0.191595
+    1SOL     H5    5  -0.373231   0.104385  -0.190480
+    1SOL     H6    6  -0.246204   0.174656  -0.147526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/198/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065811   0.053746  -0.044075
+    0SOL     H3    3  -0.006352   0.025060   0.092163
+    1SOL     O4    4  -0.213596   0.161077  -0.044903
+    1SOL     H5    5  -0.290884   0.120196  -0.005946
+    1SOL     H6    6  -0.236030   0.171574  -0.137363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/199/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082849   0.046016  -0.013450
+    0SOL     H3    3   0.009162  -0.041322   0.085854
+    1SOL     O4    4  -0.228199   0.187952  -0.024803
+    1SOL     H5    5  -0.155119   0.159458   0.030058
+    1SOL     H6    6  -0.201697   0.165035  -0.113880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/200/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039707  -0.076243   0.042102
+    0SOL     H3    3   0.061555   0.071385   0.016658
+    1SOL     O4    4  -0.057045   0.023194  -0.269184
+    1SOL     H5    5   0.021442   0.072782  -0.292487
+    1SOL     H6    6  -0.041629  -0.005187  -0.179078
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/201/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006086  -0.088080  -0.036976
+    0SOL     H3    3  -0.025009  -0.013988   0.091330
+    1SOL     O4    4   0.235511   0.114817  -0.065061
+    1SOL     H5    5   0.155211   0.069332  -0.039657
+    1SOL     H6    6   0.236577   0.110047  -0.160656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/202/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081607   0.039066  -0.031249
+    0SOL     H3    3   0.002016   0.020230   0.093536
+    1SOL     O4    4  -0.049164   0.056871   0.266864
+    1SOL     H5    5  -0.010409   0.137696   0.300446
+    1SOL     H6    6  -0.143544   0.072610   0.269498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/203/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025096   0.089294  -0.023645
+    0SOL     H3    3   0.082283  -0.014932  -0.046571
+    1SOL     O4    4   0.245029  -0.029970  -0.166371
+    1SOL     H5    5   0.251121  -0.068257  -0.253889
+    1SOL     H6    6   0.324508  -0.059248  -0.121782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/204/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060173   0.061016   0.042645
+    0SOL     H3    3   0.016807  -0.084030   0.042647
+    1SOL     O4    4   0.212626   0.144450   0.103248
+    1SOL     H5    5   0.281119   0.107030   0.047833
+    1SOL     H6    6   0.217336   0.238648   0.086914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/205/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071684  -0.049527   0.039632
+    0SOL     H3    3   0.009409  -0.015243  -0.094029
+    1SOL     O4    4   0.037996   0.258052   0.084992
+    1SOL     H5    5   0.057842   0.169950   0.053267
+    1SOL     H6    6   0.024671   0.247216   0.179158
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/206/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005713   0.090307  -0.031214
+    0SOL     H3    3   0.085015  -0.030884  -0.031319
+    1SOL     O4    4  -0.085761   0.255835  -0.052537
+    1SOL     H5    5  -0.174044   0.287160  -0.032858
+    1SOL     H6    6  -0.028021   0.325212  -0.020673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/207/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005750  -0.093100   0.021485
+    0SOL     H3    3  -0.069048   0.033598   0.057148
+    1SOL     O4    4  -0.259935  -0.176629  -0.172611
+    1SOL     H5    5  -0.269835  -0.081425  -0.173265
+    1SOL     H6    6  -0.182966  -0.193128  -0.227071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/208/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014676   0.088676   0.032917
+    0SOL     H3    3   0.029090   0.003112  -0.091139
+    1SOL     O4    4   0.037551   0.264935   0.054791
+    1SOL     H5    5  -0.033906   0.309357   0.009151
+    1SOL     H6    6   0.019818   0.280079   0.147627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/209/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002823   0.089104   0.034854
+    0SOL     H3    3   0.018732   0.011266  -0.093191
+    1SOL     O4    4   0.015973   0.276244   0.065471
+    1SOL     H5    5  -0.067042   0.313410   0.035645
+    1SOL     H6    6   0.021421   0.300734   0.157844
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/210/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081220   0.006604   0.050219
+    0SOL     H3    3   0.060401   0.059752   0.044088
+    1SOL     O4    4  -0.237572  -0.019995   0.147926
+    1SOL     H5    5  -0.309753   0.029377   0.109010
+    1SOL     H6    6  -0.241749   0.000923   0.241239
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/211/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060746  -0.062463   0.039632
+    0SOL     H3    3  -0.022651  -0.038862  -0.084492
+    1SOL     O4    4   0.054866   0.286501   0.035951
+    1SOL     H5    5   0.034281   0.197961   0.005965
+    1SOL     H6    6   0.031489   0.286445   0.128773
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/212/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061794  -0.072735  -0.007311
+    0SOL     H3    3  -0.026554   0.061055  -0.068771
+    1SOL     O4    4  -0.212170  -0.227831  -0.024294
+    1SOL     H5    5  -0.211229  -0.323403  -0.019057
+    1SOL     H6    6  -0.291296  -0.201985   0.022965
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/213/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091554  -0.027637   0.004055
+    0SOL     H3    3  -0.043902  -0.069509  -0.049025
+    1SOL     O4    4  -0.008411   0.109465   0.280517
+    1SOL     H5    5   0.065634   0.055966   0.309109
+    1SOL     H6    6  -0.027362   0.078787   0.191849
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/214/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078369   0.022696  -0.050055
+    0SOL     H3    3   0.030127  -0.005190   0.090707
+    1SOL     O4    4  -0.145750  -0.203910  -0.114507
+    1SOL     H5    5  -0.223457  -0.154151  -0.139966
+    1SOL     H6    6  -0.082034  -0.137331  -0.088628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/215/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015967  -0.092494  -0.018766
+    0SOL     H3    3  -0.027261   0.001516   0.091743
+    1SOL     O4    4   0.265940   0.093864  -0.001486
+    1SOL     H5    5   0.248753   0.118288  -0.092428
+    1SOL     H6    6   0.186013   0.049551   0.026979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/216/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089501   0.031130   0.013517
+    0SOL     H3    3   0.055017   0.066217   0.041842
+    1SOL     O4    4   0.083819   0.200652   0.159384
+    1SOL     H5    5   0.165341   0.236012   0.123799
+    1SOL     H6    6   0.106831   0.171376   0.247564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/217/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047349  -0.058416   0.059228
+    0SOL     H3    3   0.010192  -0.039985  -0.086369
+    1SOL     O4    4   0.026894   0.270927   0.038795
+    1SOL     H5    5   0.006477   0.185169   0.001497
+    1SOL     H6    6  -0.006994   0.266887   0.128224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/218/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071494  -0.063645   0.000480
+    0SOL     H3    3  -0.037334   0.077719  -0.041573
+    1SOL     O4    4   0.165189   0.277036   0.088873
+    1SOL     H5    5   0.234443   0.222774   0.126580
+    1SOL     H6    6   0.175884   0.267269  -0.005745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/219/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006476   0.084706   0.044106
+    0SOL     H3    3   0.018526   0.019317  -0.091902
+    1SOL     O4    4   0.070086   0.269091   0.057151
+    1SOL     H5    5   0.008862   0.328222   0.013362
+    1SOL     H6    6   0.052505   0.281144   0.150468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/220/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004174  -0.084645  -0.044498
+    0SOL     H3    3  -0.019735  -0.019992   0.091505
+    1SOL     O4    4  -0.052212  -0.030117   0.259463
+    1SOL     H5    5  -0.140832  -0.007349   0.287577
+    1SOL     H6    6  -0.049673  -0.125731   0.263192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/221/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063647   0.049164  -0.051907
+    0SOL     H3    3   0.032997   0.005261   0.089699
+    1SOL     O4    4  -0.187942  -0.181848  -0.095255
+    1SOL     H5    5  -0.271091  -0.140278  -0.118072
+    1SOL     H6    6  -0.131238  -0.109313  -0.069070
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/222/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090338  -0.016953   0.026719
+    0SOL     H3    3  -0.006145   0.021599  -0.093049
+    1SOL     O4    4  -0.267597  -0.088925   0.031959
+    1SOL     H5    5  -0.270994  -0.164770  -0.026337
+    1SOL     H6    6  -0.268113  -0.126334   0.120065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/223/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074133  -0.041587   0.044013
+    0SOL     H3    3   0.007540  -0.027899  -0.091253
+    1SOL     O4    4  -0.145763  -0.271016  -0.079664
+    1SOL     H5    5  -0.222592  -0.327877  -0.074532
+    1SOL     H6    6  -0.178448  -0.189981  -0.118745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/224/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069073  -0.051523   0.041673
+    0SOL     H3    3   0.002738  -0.026180  -0.092029
+    1SOL     O4    4   0.194837  -0.180367   0.079764
+    1SOL     H5    5   0.266927  -0.128682   0.043791
+    1SOL     H6    6   0.213175  -0.185086   0.173592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/225/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003850   0.090978   0.029505
+    0SOL     H3    3  -0.021252   0.004090  -0.093241
+    1SOL     O4    4   0.004454   0.266517   0.068161
+    1SOL     H5    5  -0.083670   0.302796   0.059200
+    1SOL     H6    6   0.031054   0.289784   0.157118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/226/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071446   0.063087  -0.008819
+    0SOL     H3    3   0.043051  -0.081603   0.025493
+    1SOL     O4    4  -0.054049  -0.027633  -0.275617
+    1SOL     H5    5   0.009780   0.037789  -0.304045
+    1SOL     H6    6  -0.037477  -0.038209  -0.181938
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/227/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022006   0.092319  -0.012458
+    0SOL     H3    3   0.084380  -0.010695  -0.043909
+    1SOL     O4    4  -0.033543  -0.029963   0.263024
+    1SOL     H5    5  -0.034995   0.062494   0.287761
+    1SOL     H6    6  -0.017581  -0.029307   0.168647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/228/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066787   0.063732   0.025298
+    0SOL     H3    3   0.033444  -0.083789   0.031988
+    1SOL     O4    4   0.199668   0.174885   0.058451
+    1SOL     H5    5   0.287422   0.153844   0.026531
+    1SOL     H6    6   0.186560   0.266494   0.033993
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/229/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093652   0.015931   0.011736
+    0SOL     H3    3   0.042072   0.053616   0.067213
+    1SOL     O4    4  -0.208537   0.047227  -0.298445
+    1SOL     H5    5  -0.275794  -0.012676  -0.266034
+    1SOL     H6    6  -0.239935   0.074117  -0.384777
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/230/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082087   0.047325  -0.013579
+    0SOL     H3    3  -0.001565  -0.018905   0.093822
+    1SOL     O4    4  -0.147389  -0.154627  -0.178469
+    1SOL     H5    5  -0.237551  -0.137784  -0.151093
+    1SOL     H6    6  -0.094310  -0.098118  -0.122329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/231/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069591   0.048565  -0.044282
+    0SOL     H3    3  -0.014610   0.016670   0.093118
+    1SOL     O4    4  -0.034243  -0.255998  -0.064701
+    1SOL     H5    5  -0.012585  -0.167752  -0.034603
+    1SOL     H6    6  -0.020872  -0.253001  -0.159435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/232/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083240  -0.028510  -0.037690
+    0SOL     H3    3  -0.066399  -0.048465  -0.049037
+    1SOL     O4    4  -0.001094   0.092363   0.252855
+    1SOL     H5    5   0.074316   0.046291   0.289638
+    1SOL     H6    6  -0.010228   0.056722   0.164488
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/233/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075945   0.057863  -0.006817
+    0SOL     H3    3   0.034520  -0.080445   0.038720
+    1SOL     O4    4   0.137102  -0.188328   0.150940
+    1SOL     H5    5   0.132622  -0.269245   0.100002
+    1SOL     H6    6   0.117101  -0.215266   0.240588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/234/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026577   0.091182   0.011911
+    0SOL     H3    3   0.089254   0.005286  -0.034179
+    1SOL     O4    4  -0.026778  -0.060728   0.247155
+    1SOL     H5    5  -0.036636   0.032802   0.264965
+    1SOL     H6    6  -0.004312  -0.065224   0.154217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/235/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035656  -0.055884   0.069050
+    0SOL     H3    3   0.057596   0.076444  -0.001141
+    1SOL     O4    4  -0.244607   0.085248   0.026330
+    1SOL     H5    5  -0.282589   0.083723  -0.061518
+    1SOL     H6    6  -0.153015   0.060682   0.013305
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/236/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069715   0.048111  -0.044581
+    0SOL     H3    3  -0.016074   0.015249   0.093120
+    1SOL     O4    4  -0.087216   0.045633   0.268977
+    1SOL     H5    5  -0.176998   0.078800   0.270128
+    1SOL     H6    6  -0.035319   0.115471   0.308874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/237/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022947  -0.082389  -0.042986
+    0SOL     H3    3  -0.025827  -0.012565   0.091310
+    1SOL     O4    4  -0.053955  -0.281386  -0.031956
+    1SOL     H5    5   0.022140  -0.338905  -0.023990
+    1SOL     H6    6  -0.071767  -0.278030  -0.125944
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/238/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024245  -0.005158  -0.092455
+    0SOL     H3    3  -0.093227  -0.021646   0.001607
+    1SOL     O4    4   0.363400   0.007591  -0.062879
+    1SOL     H5    5   0.456954  -0.011956  -0.068158
+    1SOL     H6    6   0.320650  -0.069312  -0.100571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/239/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023908   0.090916  -0.018029
+    0SOL     H3    3   0.076479  -0.016113  -0.055259
+    1SOL     O4    4   0.207824  -0.010266  -0.185167
+    1SOL     H5    5   0.285776  -0.065776  -0.183052
+    1SOL     H6    6   0.190020   0.002563  -0.278338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/240/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004355   0.095072   0.010236
+    0SOL     H3    3   0.083679  -0.015617  -0.043775
+    1SOL     O4    4   0.010592  -0.058552   0.292047
+    1SOL     H5    5   0.017840   0.032753   0.319852
+    1SOL     H6    6   0.028586  -0.056516   0.198055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/241/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050875   0.078476   0.020387
+    0SOL     H3    3   0.030934  -0.065564   0.062504
+    1SOL     O4    4  -0.035091   0.053260  -0.260186
+    1SOL     H5    5  -0.020827   0.044227  -0.165967
+    1SOL     H6    6   0.048776   0.084342  -0.294284
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/242/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075449   0.040632  -0.042648
+    0SOL     H3    3  -0.020527   0.003415   0.093431
+    1SOL     O4    4  -0.044690   0.034587   0.259305
+    1SOL     H5    5  -0.134880   0.060340   0.278406
+    1SOL     H6    6   0.008703   0.104786   0.296501
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/243/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056373  -0.076150  -0.013621
+    0SOL     H3    3  -0.039404   0.068905  -0.053495
+    1SOL     O4    4  -0.240043  -0.117297  -0.047999
+    1SOL     H5    5  -0.232396  -0.211046  -0.030253
+    1SOL     H6    6  -0.266640  -0.079128   0.035655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/244/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078652   0.054475   0.002942
+    0SOL     H3    3   0.070455   0.057995   0.028897
+    1SOL     O4    4   0.198069   0.204862  -0.162425
+    1SOL     H5    5   0.254315   0.130662  -0.140217
+    1SOL     H6    6   0.253119   0.281843  -0.148086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/245/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021715   0.090572   0.022081
+    0SOL     H3    3   0.001432  -0.002380  -0.095680
+    1SOL     O4    4  -0.262551  -0.071948  -0.000068
+    1SOL     H5    5  -0.181164  -0.024824  -0.017891
+    1SOL     H6    6  -0.264491  -0.081321   0.095173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/246/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016155  -0.055757   0.076109
+    0SOL     H3    3  -0.013098   0.087446   0.036660
+    1SOL     O4    4   0.011443   0.063410  -0.260244
+    1SOL     H5    5   0.089364   0.031696  -0.305903
+    1SOL     H6    6   0.018214   0.026006  -0.172395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/247/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028040   0.007450   0.091217
+    0SOL     H3    3   0.095525   0.004789   0.003790
+    1SOL     O4    4  -0.103742   0.220846  -0.147353
+    1SOL     H5    5  -0.073599   0.135907  -0.115118
+    1SOL     H6    6  -0.023904   0.272932  -0.156028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/248/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014900  -0.088617  -0.032976
+    0SOL     H3    3  -0.031352  -0.002448   0.090407
+    1SOL     O4    4   0.282916   0.070235  -0.039813
+    1SOL     H5    5   0.256558   0.091522  -0.129337
+    1SOL     H6    6   0.202782   0.038635   0.001926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/249/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086966  -0.038019   0.012401
+    0SOL     H3    3  -0.056224  -0.074783  -0.020216
+    1SOL     O4    4  -0.057851   0.101134   0.275285
+    1SOL     H5    5   0.002388   0.036444   0.312011
+    1SOL     H6    6  -0.063026   0.079033   0.182295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/250/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024508  -0.090691  -0.018352
+    0SOL     H3    3  -0.006010   0.007685   0.095222
+    1SOL     O4    4  -0.132971   0.195503  -0.153066
+    1SOL     H5    5  -0.068394   0.254652  -0.114420
+    1SOL     H6    6  -0.105878   0.108311  -0.124329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/251/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089444  -0.033020   0.008474
+    0SOL     H3    3   0.003523   0.037435  -0.088026
+    1SOL     O4    4   0.210087  -0.208342   0.031905
+    1SOL     H5    5   0.137139  -0.154613   0.001017
+    1SOL     H6    6   0.221626  -0.182811   0.123433
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/252/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086072   0.040194  -0.011759
+    0SOL     H3    3   0.006699  -0.047214   0.082996
+    1SOL     O4    4   0.166322  -0.261552   0.070206
+    1SOL     H5    5   0.073602  -0.264956   0.093739
+    1SOL     H6    6   0.197517  -0.351202   0.082534
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/253/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044389  -0.081909   0.021975
+    0SOL     H3    3  -0.093224  -0.020803   0.006234
+    1SOL     O4    4   0.077551   0.028316   0.356649
+    1SOL     H5    5   0.079176  -0.066980   0.347798
+    1SOL     H6    6   0.055252   0.043511   0.448487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/254/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095015   0.009633   0.006460
+    0SOL     H3    3  -0.014707  -0.034291  -0.088148
+    1SOL     O4    4  -0.047449   0.181051   0.330518
+    1SOL     H5    5  -0.102687   0.208113   0.403857
+    1SOL     H6    6  -0.027846   0.088992   0.347930
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/255/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084122   0.040831  -0.020459
+    0SOL     H3    3   0.018323   0.026634   0.090096
+    1SOL     O4    4  -0.033382  -0.277682  -0.061679
+    1SOL     H5    5  -0.019513  -0.186442  -0.036278
+    1SOL     H6    6  -0.034323  -0.276073  -0.157381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/256/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005573  -0.089105  -0.034520
+    0SOL     H3    3  -0.011082  -0.011477   0.094381
+    1SOL     O4    4  -0.114790   0.182447  -0.217578
+    1SOL     H5    5  -0.041194   0.243255  -0.224530
+    1SOL     H6    6  -0.086953   0.118471  -0.152045
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/257/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017042  -0.093323   0.012753
+    0SOL     H3    3  -0.089447   0.012608   0.031663
+    1SOL     O4    4   0.017664   0.064265  -0.256542
+    1SOL     H5    5   0.031709  -0.027173  -0.281120
+    1SOL     H6    6  -0.000513   0.061346  -0.162609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/258/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090027  -0.021220  -0.024640
+    0SOL     H3    3  -0.054004  -0.055293  -0.056467
+    1SOL     O4    4   0.171085  -0.069995   0.247325
+    1SOL     H5    5   0.239915  -0.023321   0.199931
+    1SOL     H6    6   0.213792  -0.101171   0.327115
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/259/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006239   0.094909  -0.010759
+    0SOL     H3    3   0.090738  -0.020768  -0.022306
+    1SOL     O4    4  -0.191825  -0.193417  -0.006623
+    1SOL     H5    5  -0.114954  -0.136437  -0.009178
+    1SOL     H6    6  -0.158720  -0.276910   0.026472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/260/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073282   0.050884  -0.034682
+    0SOL     H3    3   0.000886   0.019939   0.093616
+    1SOL     O4    4  -0.071677   0.075132   0.266618
+    1SOL     H5    5  -0.150705   0.129141   0.266726
+    1SOL     H6    6  -0.003615   0.132118   0.302429
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/261/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082784  -0.040391  -0.026033
+    0SOL     H3    3  -0.005613   0.089666  -0.033029
+    1SOL     O4    4   0.116295  -0.016244  -0.319518
+    1SOL     H5    5   0.150821  -0.007443  -0.408359
+    1SOL     H6    6   0.027032  -0.048639  -0.331559
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/262/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027645  -0.089943   0.017562
+    0SOL     H3    3  -0.076137   0.013170   0.056498
+    1SOL     O4    4   0.233932   0.143113   0.004777
+    1SOL     H5    5   0.184774   0.209206  -0.043982
+    1SOL     H6    6   0.177793   0.065597   0.003414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/263/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084888   0.034095  -0.028175
+    0SOL     H3    3   0.011958  -0.020523   0.092726
+    1SOL     O4    4   0.233883   0.098427  -0.100192
+    1SOL     H5    5   0.259844   0.181157  -0.059645
+    1SOL     H6    6   0.282196   0.095982  -0.182788
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/264/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053364   0.078577   0.011841
+    0SOL     H3    3   0.054977  -0.071426   0.032220
+    1SOL     O4    4   0.172073   0.203523   0.067158
+    1SOL     H5    5   0.129947   0.289029   0.058413
+    1SOL     H6    6   0.248443   0.208403   0.009659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/265/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016307  -0.004894   0.094194
+    0SOL     H3    3   0.078441   0.041559  -0.035808
+    1SOL     O4    4  -0.182906   0.187544  -0.021035
+    1SOL     H5    5  -0.129584   0.110792  -0.000341
+    1SOL     H6    6  -0.271664   0.153122  -0.031008
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/266/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089108  -0.033599  -0.009650
+    0SOL     H3    3  -0.055799  -0.069710  -0.034485
+    1SOL     O4    4  -0.134840  -0.220171  -0.158590
+    1SOL     H5    5  -0.218683  -0.244733  -0.119482
+    1SOL     H6    6  -0.157226  -0.190893  -0.246931
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/267/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089585   0.029902   0.015579
+    0SOL     H3    3   0.053295   0.051117   0.060902
+    1SOL     O4    4   0.055088  -0.066871  -0.274250
+    1SOL     H5    5  -0.010858  -0.025710  -0.330099
+    1SOL     H6    6   0.034048  -0.036553  -0.185929
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/268/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064086   0.067657  -0.021860
+    0SOL     H3    3   0.054215  -0.007958  -0.078484
+    1SOL     O4    4  -0.100451   0.258874  -0.076849
+    1SOL     H5    5  -0.190476   0.290188  -0.085634
+    1SOL     H6    6  -0.049898   0.337072  -0.054674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/269/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002294  -0.092437  -0.024750
+    0SOL     H3    3  -0.044415   0.003268   0.084729
+    1SOL     O4    4  -0.217902   0.177925   0.228348
+    1SOL     H5    5  -0.160589   0.239592   0.182798
+    1SOL     H6    6  -0.185191   0.176715   0.318298
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/270/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036680  -0.086026   0.020406
+    0SOL     H3    3  -0.009681  -0.000014  -0.095229
+    1SOL     O4    4   0.115650   0.214495   0.124099
+    1SOL     H5    5   0.166799   0.182680   0.198490
+    1SOL     H6    6   0.079819   0.135313   0.083992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/271/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045108  -0.070594   0.046304
+    0SOL     H3    3  -0.046363   0.007455  -0.083410
+    1SOL     O4    4   0.180276   0.165314   0.144167
+    1SOL     H5    5   0.265068   0.121147   0.139489
+    1SOL     H6    6   0.122225   0.111588   0.090260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/272/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080191  -0.040740   0.032741
+    0SOL     H3    3  -0.007010  -0.006366  -0.095251
+    1SOL     O4    4   0.125438   0.212588   0.156587
+    1SOL     H5    5   0.219395   0.203420   0.140765
+    1SOL     H6    6   0.085131   0.145796   0.101120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/273/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002776  -0.094107  -0.017277
+    0SOL     H3    3  -0.083741   0.019126   0.042237
+    1SOL     O4    4   0.046903  -0.262371   0.007760
+    1SOL     H5    5   0.005759  -0.332064  -0.043352
+    1SOL     H6    6   0.140794  -0.274429  -0.006437
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/274/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013619  -0.093920  -0.012484
+    0SOL     H3    3  -0.032485   0.017427   0.088337
+    1SOL     O4    4   0.190163   0.108676   0.292009
+    1SOL     H5    5   0.104997   0.065073   0.289216
+    1SOL     H6    6   0.175910   0.192067   0.247229
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/275/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076784  -0.056238  -0.010191
+    0SOL     H3    3  -0.031711   0.087901  -0.020740
+    1SOL     O4    4  -0.207080  -0.153167  -0.063368
+    1SOL     H5    5  -0.295546  -0.148506  -0.027114
+    1SOL     H6    6  -0.189440  -0.246883  -0.071637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/276/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016058  -0.075156  -0.057062
+    0SOL     H3    3   0.093544  -0.004453   0.019798
+    1SOL     O4    4   0.289109  -0.101891   0.017003
+    1SOL     H5    5   0.291906  -0.188439   0.057794
+    1SOL     H6    6   0.380934  -0.075942   0.009449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/277/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078489   0.039374  -0.038098
+    0SOL     H3    3   0.027182  -0.027936   0.087425
+    1SOL     O4    4   0.260900   0.100055  -0.021793
+    1SOL     H5    5   0.269176   0.187407   0.016464
+    1SOL     H6    6   0.275123   0.113449  -0.115498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/278/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061252   0.061278  -0.040689
+    0SOL     H3    3  -0.008172   0.016693   0.093898
+    1SOL     O4    4  -0.174961   0.194931  -0.067814
+    1SOL     H5    5  -0.267242   0.186052  -0.043989
+    1SOL     H6    6  -0.174176   0.189128  -0.163355
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/279/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005021  -0.079854  -0.052540
+    0SOL     H3    3  -0.008141  -0.031072   0.090170
+    1SOL     O4    4  -0.015065  -0.288524  -0.043006
+    1SOL     H5    5   0.066956  -0.329674  -0.015776
+    1SOL     H6    6  -0.021583  -0.307609  -0.136577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/280/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085378  -0.042325   0.009025
+    0SOL     H3    3   0.011607   0.010731  -0.094406
+    1SOL     O4    4   0.247562  -0.169003   0.023067
+    1SOL     H5    5   0.169342  -0.133091  -0.018818
+    1SOL     H6    6   0.235500  -0.150593   0.116222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/281/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067001   0.050402  -0.046183
+    0SOL     H3    3   0.043778  -0.031206   0.079196
+    1SOL     O4    4   0.104146  -0.055438   0.249620
+    1SOL     H5    5   0.182113  -0.001014   0.260641
+    1SOL     H6    6   0.122719  -0.134509   0.300267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/282/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030908  -0.003619  -0.090520
+    0SOL     H3    3   0.010588   0.091700   0.025326
+    1SOL     O4    4   0.059714   0.037224  -0.266879
+    1SOL     H5    5   0.032587   0.127897  -0.281190
+    1SOL     H6    6   0.147423   0.032133  -0.304874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/283/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077817   0.049450  -0.025721
+    0SOL     H3    3   0.008726   0.016142   0.093945
+    1SOL     O4    4   0.129279   0.287221   0.037755
+    1SOL     H5    5   0.130136   0.274102  -0.057058
+    1SOL     H6    6   0.132591   0.198793   0.074249
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/284/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068174   0.050392  -0.044443
+    0SOL     H3    3  -0.077212   0.056511  -0.002678
+    1SOL     O4    4  -0.025681   0.184142  -0.263900
+    1SOL     H5    5  -0.039345   0.216699  -0.352869
+    1SOL     H6    6   0.024030   0.103149  -0.275353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/285/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070469  -0.040797  -0.050319
+    0SOL     H3    3  -0.071439  -0.063648  -0.002789
+    1SOL     O4    4  -0.208152  -0.187487  -0.026630
+    1SOL     H5    5  -0.292471  -0.174609   0.016806
+    1SOL     H6    6  -0.193004  -0.281893  -0.022123
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/286/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020255   0.067672   0.064595
+    0SOL     H3    3  -0.088690  -0.028456   0.022059
+    1SOL     O4    4   0.210831  -0.169301   0.038484
+    1SOL     H5    5   0.195549  -0.131810   0.125221
+    1SOL     H6    6   0.143070  -0.130349  -0.016774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/287/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095264   0.003867  -0.008490
+    0SOL     H3    3   0.024719   0.086529   0.032620
+    1SOL     O4    4   0.118789   0.228596   0.095265
+    1SOL     H5    5   0.185011   0.266817   0.037679
+    1SOL     H6    6   0.157214   0.233775   0.182781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/288/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065274  -0.060166  -0.035801
+    0SOL     H3    3   0.020605   0.004992   0.093343
+    1SOL     O4    4   0.074195   0.231338  -0.135014
+    1SOL     H5    5   0.042184   0.148489  -0.099325
+    1SOL     H6    6   0.004922   0.294358  -0.115215
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/289/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008160   0.093058   0.020879
+    0SOL     H3    3   0.013282  -0.004606  -0.094682
+    1SOL     O4    4  -0.260226  -0.086098   0.014970
+    1SOL     H5    5  -0.224333  -0.124433   0.094997
+    1SOL     H6    6  -0.190019  -0.030302  -0.018496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/290/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083247   0.034418  -0.032369
+    0SOL     H3    3   0.013681  -0.011382   0.094051
+    1SOL     O4    4   0.241484   0.108152  -0.081113
+    1SOL     H5    5   0.251334   0.202406  -0.067638
+    1SOL     H6    6   0.296502   0.088885  -0.157035
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/291/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013798   0.091634   0.023981
+    0SOL     H3    3   0.005298  -0.000856  -0.095570
+    1SOL     O4    4   0.133826  -0.209201   0.172543
+    1SOL     H5    5   0.070119  -0.280526   0.168485
+    1SOL     H6    6   0.096034  -0.140140   0.118094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/292/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001701   0.024892  -0.092411
+    0SOL     H3    3  -0.055678  -0.077703   0.004953
+    1SOL     O4    4  -0.061009  -0.018593   0.349710
+    1SOL     H5    5  -0.093251  -0.106669   0.330591
+    1SOL     H6    6  -0.098423   0.036167   0.280689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/293/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073161   0.057530  -0.022362
+    0SOL     H3    3   0.000762  -0.003720   0.095645
+    1SOL     O4    4   0.169356  -0.199405  -0.182684
+    1SOL     H5    5   0.174097  -0.287990  -0.218637
+    1SOL     H6    6   0.152443  -0.212258  -0.089352
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/294/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068693   0.060375  -0.028256
+    0SOL     H3    3   0.003995   0.010961   0.095006
+    1SOL     O4    4  -0.019518  -0.277598  -0.042200
+    1SOL     H5    5  -0.011271  -0.193412   0.002599
+    1SOL     H6    6  -0.005743  -0.257030  -0.134664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/295/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072860  -0.051271  -0.035001
+    0SOL     H3    3   0.076797  -0.055729  -0.012601
+    1SOL     O4    4  -0.131001  -0.213513  -0.135346
+    1SOL     H5    5  -0.138645  -0.217147  -0.230691
+    1SOL     H6    6  -0.209260  -0.258336  -0.103271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/296/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052601   0.067502   0.042882
+    0SOL     H3    3  -0.089993   0.019481   0.026155
+    1SOL     O4    4  -0.257712   0.091989   0.107072
+    1SOL     H5    5  -0.223421   0.090968   0.196433
+    1SOL     H6    6  -0.310449   0.012363   0.100692
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/297/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002803  -0.092374  -0.024931
+    0SOL     H3    3  -0.026780  -0.000746   0.091895
+    1SOL     O4    4  -0.026781  -0.293967  -0.074488
+    1SOL     H5    5   0.046133  -0.333422  -0.026644
+    1SOL     H6    6  -0.006117  -0.309348  -0.166677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/298/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079244   0.030824   0.043961
+    0SOL     H3    3   0.026196  -0.011620  -0.091329
+    1SOL     O4    4  -0.346126  -0.070168  -0.062686
+    1SOL     H5    5  -0.301910  -0.014467   0.001381
+    1SOL     H6    6  -0.438727  -0.047376  -0.054447
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/299/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093366   0.014705   0.015127
+    0SOL     H3    3   0.041651   0.082459   0.025061
+    1SOL     O4    4  -0.082434   0.355256   0.117237
+    1SOL     H5    5  -0.004856   0.309643   0.149846
+    1SOL     H6    6  -0.082638   0.337966   0.023092
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/300/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051872  -0.015925   0.078855
+    0SOL     H3    3  -0.075936   0.049464   0.030810
+    1SOL     O4    4  -0.092108  -0.267752   0.195980
+    1SOL     H5    5  -0.099516  -0.258690   0.290981
+    1SOL     H6    6  -0.004329  -0.235493   0.175567
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/301/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074342  -0.052381   0.029864
+    0SOL     H3    3  -0.020500   0.021007  -0.091109
+    1SOL     O4    4  -0.169716   0.210163   0.178158
+    1SOL     H5    5  -0.179266   0.305181   0.184686
+    1SOL     H6    6  -0.139804   0.195155   0.088478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/302/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087286   0.039110   0.003736
+    0SOL     H3    3   0.006741  -0.078915   0.053752
+    1SOL     O4    4   0.181724  -0.243679   0.125499
+    1SOL     H5    5   0.146194  -0.325238   0.090171
+    1SOL     H6    6   0.161367  -0.247131   0.218966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/303/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028805  -0.075820  -0.050832
+    0SOL     H3    3  -0.077933   0.055116   0.007143
+    1SOL     O4    4  -0.215512   0.131317   0.010770
+    1SOL     H5    5  -0.247987   0.156673  -0.075629
+    1SOL     H6    6  -0.287911   0.082777   0.050325
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/304/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052623  -0.069718   0.039148
+    0SOL     H3    3  -0.021854  -0.002861  -0.093148
+    1SOL     O4    4  -0.239379  -0.139085  -0.003586
+    1SOL     H5    5  -0.261268  -0.224088  -0.041765
+    1SOL     H6    6  -0.260196  -0.148452   0.089372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/305/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057938   0.065681   0.038620
+    0SOL     H3    3  -0.080257   0.047928  -0.020591
+    1SOL     O4    4  -0.127213   0.157469  -0.336479
+    1SOL     H5    5  -0.140681   0.182802  -0.427798
+    1SOL     H6    6  -0.215031   0.137930  -0.303792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/306/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018247   0.007886  -0.093633
+    0SOL     H3    3  -0.080348  -0.036449   0.037122
+    1SOL     O4    4  -0.080173   0.013300  -0.269008
+    1SOL     H5    5  -0.123873  -0.067489  -0.295947
+    1SOL     H6    6  -0.132589   0.083153  -0.308192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/307/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002785   0.016386   0.094266
+    0SOL     H3    3  -0.077002   0.048024  -0.030442
+    1SOL     O4    4  -0.047452  -0.284154  -0.055851
+    1SOL     H5    5  -0.046184  -0.211419   0.006362
+    1SOL     H6    6  -0.036367  -0.242732  -0.141429
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/308/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008336   0.087586   0.037704
+    0SOL     H3    3   0.007952   0.013656  -0.094407
+    1SOL     O4    4   0.247857   0.074120   0.200011
+    1SOL     H5    5   0.283028   0.162966   0.194380
+    1SOL     H6    6   0.312506   0.025942   0.251603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/309/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019490   0.091514   0.020191
+    0SOL     H3    3   0.004212  -0.004928  -0.095500
+    1SOL     O4    4   0.051154   0.275653   0.047972
+    1SOL     H5    5  -0.017187   0.328330   0.006534
+    1SOL     H6    6   0.051014   0.303825   0.139452
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/310/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045901  -0.077322  -0.032814
+    0SOL     H3    3  -0.045730   0.073891  -0.040140
+    1SOL     O4    4  -0.160687  -0.198242  -0.101181
+    1SOL     H5    5  -0.255445  -0.186278  -0.094846
+    1SOL     H6    6  -0.148106  -0.293021  -0.096605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/311/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014934  -0.091373  -0.024297
+    0SOL     H3    3  -0.019381   0.003399   0.093676
+    1SOL     O4    4  -0.035396  -0.087001   0.287024
+    1SOL     H5    5  -0.116038  -0.051925   0.324824
+    1SOL     H6    6  -0.049496  -0.181628   0.283979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/312/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084915   0.039215  -0.020347
+    0SOL     H3    3   0.010814  -0.036406   0.087863
+    1SOL     O4    4  -0.232556   0.149847  -0.102564
+    1SOL     H5    5  -0.149332   0.138304  -0.056707
+    1SOL     H6    6  -0.214644   0.121643  -0.192264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/313/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076847  -0.057068   0.000029
+    0SOL     H3    3  -0.024586   0.073332  -0.056395
+    1SOL     O4    4  -0.237035  -0.168558  -0.073731
+    1SOL     H5    5  -0.320546  -0.175337  -0.027446
+    1SOL     H6    6  -0.195995  -0.254215  -0.061861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/314/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078921   0.049360   0.022302
+    0SOL     H3    3   0.070044   0.043476   0.048641
+    1SOL     O4    4   0.008906  -0.251021   0.080739
+    1SOL     H5    5  -0.023708  -0.161313   0.073588
+    1SOL     H6    6   0.085760  -0.253233   0.023724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/315/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082161   0.033057  -0.036320
+    0SOL     H3    3  -0.003234   0.024170   0.092562
+    1SOL     O4    4   0.018194   0.034228   0.258823
+    1SOL     H5    5  -0.072827   0.056552   0.278297
+    1SOL     H6    6   0.069389   0.103159   0.301129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/316/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018908   0.074258  -0.057364
+    0SOL     H3    3  -0.033204  -0.076137  -0.047570
+    1SOL     O4    4  -0.009982   0.069467   0.253708
+    1SOL     H5    5  -0.019837   0.031986   0.166185
+    1SOL     H6    6   0.003114   0.163044   0.238406
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/317/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032680  -0.002687  -0.089928
+    0SOL     H3    3  -0.087035  -0.039536  -0.004903
+    1SOL     O4    4   0.212786  -0.207509  -0.025743
+    1SOL     H5    5   0.301036  -0.184610  -0.054894
+    1SOL     H6    6   0.155239  -0.149469  -0.075564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/318/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004681   0.094919  -0.011436
+    0SOL     H3    3  -0.086465  -0.024495   0.032958
+    1SOL     O4    4   0.346798   0.283450   0.124870
+    1SOL     H5    5   0.431768   0.251075   0.154778
+    1SOL     H6    6   0.349236   0.272942   0.029760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/319/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072837  -0.010423   0.061224
+    0SOL     H3    3   0.033833  -0.032734  -0.083344
+    1SOL     O4    4   0.083926   0.284116   0.037956
+    1SOL     H5    5   0.057486   0.208235  -0.014057
+    1SOL     H6    6   0.053764   0.264152   0.126579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/320/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014886  -0.094220   0.007952
+    0SOL     H3    3  -0.079380   0.016143   0.050995
+    1SOL     O4    4  -0.258274   0.003217   0.122981
+    1SOL     H5    5  -0.255766  -0.001734   0.218540
+    1SOL     H6    6  -0.286869  -0.083800   0.095184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/321/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086441  -0.040619  -0.006355
+    0SOL     H3    3  -0.059373  -0.063539  -0.040000
+    1SOL     O4    4   0.279818  -0.082934  -0.058431
+    1SOL     H5    5   0.317008  -0.012327  -0.005574
+    1SOL     H6    6   0.307072  -0.163161  -0.013899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/322/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065527  -0.067001   0.019477
+    0SOL     H3    3  -0.051095   0.078354  -0.020305
+    1SOL     O4    4   0.075360   0.022546   0.314622
+    1SOL     H5    5  -0.013592  -0.006307   0.335048
+    1SOL     H6    6   0.074465   0.038056   0.220171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/323/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091881   0.022700   0.014312
+    0SOL     H3    3   0.016617   0.023605  -0.091263
+    1SOL     O4    4   0.123988   0.071298  -0.240108
+    1SOL     H5    5   0.130507   0.149932  -0.294297
+    1SOL     H6    6   0.134371  -0.001227  -0.301709
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/324/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061282   0.057920  -0.045301
+    0SOL     H3    3  -0.001855   0.029566   0.091020
+    1SOL     O4    4  -0.232237   0.162410  -0.037125
+    1SOL     H5    5  -0.278915   0.081800  -0.015088
+    1SOL     H6    6  -0.241061   0.170044  -0.132131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/325/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084888   0.040558   0.017649
+    0SOL     H3    3   0.062485   0.072402   0.003998
+    1SOL     O4    4   0.160201   0.237294   0.114139
+    1SOL     H5    5   0.222302   0.285751   0.059754
+    1SOL     H6    6   0.210837   0.211411   0.191135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/326/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089682  -0.002756   0.033345
+    0SOL     H3    3   0.023592  -0.091847  -0.013030
+    1SOL     O4    4  -0.261708  -0.016982   0.096466
+    1SOL     H5    5  -0.324211   0.041107   0.053091
+    1SOL     H6    6  -0.265031   0.008704   0.188616
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/327/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044612   0.073087   0.042784
+    0SOL     H3    3  -0.092098   0.025999  -0.002072
+    1SOL     O4    4   0.159887   0.205934   0.092997
+    1SOL     H5    5   0.221932   0.235229   0.026255
+    1SOL     H6    6   0.207661   0.214337   0.175515
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/328/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081846   0.037128  -0.032939
+    0SOL     H3    3   0.023861  -0.040490   0.083388
+    1SOL     O4    4   0.290350   0.091043  -0.024599
+    1SOL     H5    5   0.260695   0.174177   0.012438
+    1SOL     H6    6   0.293864   0.106705  -0.118964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/329/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015183   0.091111   0.025112
+    0SOL     H3    3  -0.095011  -0.010661   0.004652
+    1SOL     O4    4   0.328931  -0.008663  -0.056449
+    1SOL     H5    5   0.335592  -0.101151  -0.080198
+    1SOL     H6    6   0.304197  -0.009350   0.036017
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/330/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036292   0.084527   0.026465
+    0SOL     H3    3   0.071315  -0.062246   0.014212
+    1SOL     O4    4   0.219388  -0.177066   0.058346
+    1SOL     H5    5   0.264142  -0.195818   0.140855
+    1SOL     H6    6   0.166398  -0.254988   0.041537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/331/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046150  -0.082160  -0.016801
+    0SOL     H3    3  -0.050660   0.066073  -0.047227
+    1SOL     O4    4  -0.055131  -0.204333   0.259091
+    1SOL     H5    5  -0.042441  -0.253359   0.177865
+    1SOL     H6    6  -0.034472  -0.267007   0.328427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/332/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072645  -0.062169  -0.004483
+    0SOL     H3    3   0.074983  -0.048147  -0.034954
+    1SOL     O4    4   0.062960   0.011636   0.272621
+    1SOL     H5    5   0.062663   0.004890   0.177140
+    1SOL     H6    6   0.021001  -0.069038   0.302511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/333/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069592  -0.027743   0.059579
+    0SOL     H3    3   0.027602  -0.032223  -0.085803
+    1SOL     O4    4  -0.048910  -0.267678   0.179644
+    1SOL     H5    5  -0.124629  -0.291274   0.233238
+    1SOL     H6    6  -0.081975  -0.268244   0.089818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/334/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087711  -0.033697  -0.018266
+    0SOL     H3    3  -0.058168  -0.054517  -0.052979
+    1SOL     O4    4   0.274081  -0.050798  -0.032871
+    1SOL     H5    5   0.364145  -0.075895  -0.012353
+    1SOL     H6    6   0.267568   0.040434  -0.004647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/335/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089933  -0.030212   0.012715
+    0SOL     H3    3  -0.020579  -0.023322  -0.090526
+    1SOL     O4    4   0.240450  -0.123268   0.057622
+    1SOL     H5    5   0.274479  -0.110263   0.146138
+    1SOL     H6    6   0.310355  -0.091988   0.000200
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/336/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018791   0.000608  -0.093855
+    0SOL     H3    3   0.062914  -0.071231   0.011418
+    1SOL     O4    4   0.036491  -0.261854   0.077572
+    1SOL     H5    5  -0.009892  -0.317283   0.014813
+    1SOL     H6    6   0.125204  -0.297701   0.080271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/337/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086123   0.019852  -0.036756
+    0SOL     H3    3   0.013969  -0.000996   0.094690
+    1SOL     O4    4  -0.138754  -0.235716  -0.074543
+    1SOL     H5    5  -0.218917  -0.184351  -0.064652
+    1SOL     H6    6  -0.070574  -0.181735  -0.034545
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/338/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014713  -0.031091  -0.089326
+    0SOL     H3    3   0.007901   0.095197  -0.006116
+    1SOL     O4    4   0.055349   0.266679   0.055515
+    1SOL     H5    5   0.150035   0.280381   0.052474
+    1SOL     H6    6   0.033453   0.270996   0.148597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/339/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055621   0.067571   0.038766
+    0SOL     H3    3  -0.086962   0.039812  -0.003879
+    1SOL     O4    4   0.132519   0.218596   0.109379
+    1SOL     H5    5   0.203036   0.261961   0.061325
+    1SOL     H6    6   0.165102   0.212114   0.199148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/340/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069642  -0.021593   0.062016
+    0SOL     H3    3   0.032598   0.076810  -0.046904
+    1SOL     O4    4  -0.205479  -0.177022   0.012600
+    1SOL     H5    5  -0.283607  -0.140095   0.053767
+    1SOL     H6    6  -0.140581  -0.106799   0.016975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/341/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060897   0.057702  -0.046091
+    0SOL     H3    3   0.070037   0.057991   0.029905
+    1SOL     O4    4  -0.180577   0.169385  -0.169868
+    1SOL     H5    5  -0.127289   0.248626  -0.176469
+    1SOL     H6    6  -0.210811   0.153281  -0.259248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/342/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045793   0.067380  -0.050253
+    0SOL     H3    3   0.092846   0.017973  -0.014796
+    1SOL     O4    4   0.141218  -0.008598  -0.371954
+    1SOL     H5    5   0.175952  -0.089915  -0.335303
+    1SOL     H6    6   0.149626   0.055187  -0.301080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/343/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011207   0.086971   0.038378
+    0SOL     H3    3   0.002213   0.015007  -0.094510
+    1SOL     O4    4  -0.004370   0.271670   0.060938
+    1SOL     H5    5  -0.083646   0.313112   0.026877
+    1SOL     H6    6  -0.009963   0.283476   0.155762
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/344/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005037   0.004905  -0.095461
+    0SOL     H3    3  -0.085320  -0.034116   0.026813
+    1SOL     O4    4  -0.272378  -0.056681   0.040401
+    1SOL     H5    5  -0.295544  -0.084958   0.128866
+    1SOL     H6    6  -0.290038  -0.133014  -0.014588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/345/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015212   0.050701   0.079752
+    0SOL     H3    3  -0.076607   0.040941  -0.040219
+    1SOL     O4    4   0.261116  -0.175768   0.167381
+    1SOL     H5    5   0.200551  -0.199033   0.237758
+    1SOL     H6    6   0.324566  -0.247416   0.165660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/346/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084553   0.044867  -0.000376
+    0SOL     H3    3  -0.001790  -0.048518  -0.082493
+    1SOL     O4    4   0.291450  -0.148321  -0.165653
+    1SOL     H5    5   0.250577  -0.230581  -0.192580
+    1SOL     H6    6   0.228560  -0.080808  -0.191129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/347/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087780  -0.031426  -0.021665
+    0SOL     H3    3  -0.004553   0.087284  -0.039026
+    1SOL     O4    4  -0.007864   0.252432  -0.141850
+    1SOL     H5    5  -0.082170   0.309149  -0.121256
+    1SOL     H6    6  -0.037358   0.200431  -0.216605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/348/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077486  -0.036806  -0.042469
+    0SOL     H3    3  -0.055353  -0.075798   0.018787
+    1SOL     O4    4  -0.208427  -0.184387   0.040846
+    1SOL     H5    5  -0.259824  -0.185538   0.121589
+    1SOL     H6    6  -0.250869  -0.249052  -0.015541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/349/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065183   0.046489  -0.052463
+    0SOL     H3    3   0.040181  -0.008141   0.086496
+    1SOL     O4    4   0.197106  -0.211822  -0.188991
+    1SOL     H5    5   0.274004  -0.213148  -0.245976
+    1SOL     H6    6   0.228875  -0.174717  -0.106673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/350/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015410  -0.027932  -0.090248
+    0SOL     H3    3   0.057527  -0.055648   0.052500
+    1SOL     O4    4   0.154507  -0.187039   0.114181
+    1SOL     H5    5   0.097142  -0.263342   0.107154
+    1SOL     H6    6   0.242613  -0.223807   0.121081
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/351/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013545  -0.094527   0.006598
+    0SOL     H3    3  -0.085192   0.014956   0.041001
+    1SOL     O4    4   0.074514   0.048672  -0.271500
+    1SOL     H5    5   0.168870   0.064365  -0.275099
+    1SOL     H6    6   0.050159   0.069419  -0.181285
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/352/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047235   0.067542  -0.048675
+    0SOL     H3    3  -0.041108  -0.082150  -0.026906
+    1SOL     O4    4  -0.356823  -0.074584   0.149038
+    1SOL     H5    5  -0.279169  -0.124164   0.175002
+    1SOL     H6    6  -0.322151   0.002792   0.104618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/353/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091556  -0.025551  -0.011269
+    0SOL     H3    3  -0.049220  -0.081235  -0.011858
+    1SOL     O4    4   0.254332   0.203959   0.022452
+    1SOL     H5    5   0.179275   0.258301  -0.001544
+    1SOL     H6    6   0.268505   0.222273   0.115328
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/354/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070016   0.045674   0.046626
+    0SOL     H3    3  -0.015949   0.053517  -0.077743
+    1SOL     O4    4   0.197886   0.150118   0.088043
+    1SOL     H5    5   0.229610   0.111796   0.169819
+    1SOL     H6    6   0.197564   0.244450   0.104284
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/355/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045996  -0.057911  -0.060770
+    0SOL     H3    3   0.051833  -0.003528   0.080394
+    1SOL     O4    4   0.258662  -0.133022   0.089368
+    1SOL     H5    5   0.268383  -0.047998   0.132249
+    1SOL     H6    6   0.306649  -0.124005   0.007038
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/356/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015585   0.094379   0.003481
+    0SOL     H3    3  -0.083059  -0.036950  -0.029971
+    1SOL     O4    4  -0.011439  -0.055531  -0.331832
+    1SOL     H5    5  -0.106407  -0.047167  -0.340398
+    1SOL     H6    6   0.020756  -0.056939  -0.421965
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/357/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089484  -0.007703  -0.033099
+    0SOL     H3    3   0.047781  -0.070732  -0.043316
+    1SOL     O4    4   0.217893  -0.135312  -0.079322
+    1SOL     H5    5   0.198690  -0.226723  -0.058402
+    1SOL     H6    6   0.228913  -0.134255  -0.174399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/358/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094086   0.016767   0.005387
+    0SOL     H3    3   0.023138  -0.034833   0.086102
+    1SOL     O4    4   0.068063  -0.124379   0.220759
+    1SOL     H5    5   0.033482  -0.191986   0.279031
+    1SOL     H6    6   0.116872  -0.065635   0.278458
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/359/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060984  -0.004614   0.073634
+    0SOL     H3    3  -0.085422  -0.019963   0.038300
+    1SOL     O4    4  -0.214533  -0.069452   0.150711
+    1SOL     H5    5  -0.204530  -0.093881   0.242719
+    1SOL     H6    6  -0.254490   0.017494   0.153173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/360/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091331   0.003419  -0.028448
+    0SOL     H3    3   0.034473   0.087153  -0.019451
+    1SOL     O4    4  -0.242944  -0.135735  -0.067685
+    1SOL     H5    5  -0.333738  -0.127586  -0.038489
+    1SOL     H6    6  -0.216866  -0.223788  -0.040688
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/361/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055021  -0.051429  -0.059076
+    0SOL     H3    3  -0.019408   0.091041  -0.022297
+    1SOL     O4    4  -0.196646  -0.002251   0.190638
+    1SOL     H5    5  -0.201680  -0.095036   0.213615
+    1SOL     H6    6  -0.126255   0.002672   0.125961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/362/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000943   0.076929   0.056950
+    0SOL     H3    3   0.026056   0.033372  -0.085847
+    1SOL     O4    4   0.050470   0.279202   0.021964
+    1SOL     H5    5  -0.033793   0.321210   0.004716
+    1SOL     H6    6   0.067413   0.296524   0.114566
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/363/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033028  -0.006677   0.089593
+    0SOL     H3    3   0.094155  -0.015306   0.007929
+    1SOL     O4    4  -0.104052   0.025417   0.264742
+    1SOL     H5    5  -0.080920   0.001651   0.354533
+    1SOL     H6    6  -0.186619   0.073124   0.273057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/364/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083391  -0.042710   0.019598
+    0SOL     H3    3  -0.023723  -0.032404  -0.086888
+    1SOL     O4    4  -0.010714   0.275837   0.043016
+    1SOL     H5    5  -0.016057   0.274275   0.138574
+    1SOL     H6    6  -0.005200   0.183668   0.017779
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/365/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069637   0.057812   0.031158
+    0SOL     H3    3  -0.071848   0.059037  -0.022689
+    1SOL     O4    4   0.073374  -0.098693  -0.240088
+    1SOL     H5    5  -0.002250  -0.154792  -0.257298
+    1SOL     H6    6   0.058506  -0.064781  -0.151820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/366/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090819   0.029759   0.005345
+    0SOL     H3    3   0.051116   0.072262   0.036438
+    1SOL     O4    4   0.166286   0.208434  -0.237937
+    1SOL     H5    5   0.251845   0.250128  -0.227767
+    1SOL     H6    6   0.174357   0.125350  -0.191095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/367/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014168  -0.072355   0.061044
+    0SOL     H3    3  -0.064511  -0.033448  -0.062305
+    1SOL     O4    4  -0.292974  -0.219196   0.063173
+    1SOL     H5    5  -0.284503  -0.124290   0.072314
+    1SOL     H6    6  -0.253292  -0.238768  -0.021706
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/368/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021435   0.018140  -0.091508
+    0SOL     H3    3  -0.084870  -0.012035   0.042598
+    1SOL     O4    4  -0.133347   0.042158  -0.233499
+    1SOL     H5    5  -0.223695   0.073670  -0.230932
+    1SOL     H6    6  -0.113763   0.033005  -0.326746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/369/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008291  -0.093538  -0.018552
+    0SOL     H3    3  -0.001406   0.005482   0.095552
+    1SOL     O4    4  -0.110990   0.194985  -0.167353
+    1SOL     H5    5  -0.043418   0.261977  -0.177769
+    1SOL     H6    6  -0.070843   0.128987  -0.110831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/370/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051078   0.062143   0.051881
+    0SOL     H3    3  -0.089795   0.032797   0.004843
+    1SOL     O4    4  -0.010407  -0.245026   0.136547
+    1SOL     H5    5   0.013312  -0.158580   0.102977
+    1SOL     H6    6  -0.001450  -0.237174   0.231523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/371/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004292  -0.056635   0.077048
+    0SOL     H3    3   0.088500  -0.012670  -0.034198
+    1SOL     O4    4  -0.035210   0.259195   0.106392
+    1SOL     H5    5  -0.126924   0.275366   0.084273
+    1SOL     H6    6  -0.012227   0.180314   0.057280
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/372/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082091   0.020007  -0.044978
+    0SOL     H3    3   0.030682  -0.080911  -0.040918
+    1SOL     O4    4   0.127448  -0.260854  -0.010814
+    1SOL     H5    5   0.171118  -0.343543  -0.031252
+    1SOL     H6    6   0.109476  -0.265770   0.083075
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/373/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053537   0.037671  -0.069835
+    0SOL     H3    3  -0.006578  -0.094592  -0.013090
+    1SOL     O4    4   0.247476   0.103495  -0.060895
+    1SOL     H5    5   0.246944   0.197507  -0.042900
+    1SOL     H6    6   0.162858   0.072419  -0.028701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/374/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035401  -0.080657  -0.037464
+    0SOL     H3    3   0.093060  -0.018343   0.012873
+    1SOL     O4    4   0.270193  -0.016543  -0.029649
+    1SOL     H5    5   0.351650   0.033659  -0.027042
+    1SOL     H6    6   0.295412  -0.104654  -0.002031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/375/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046898   0.073605   0.039309
+    0SOL     H3    3   0.030376   0.033252  -0.084462
+    1SOL     O4    4   0.166850  -0.204218   0.060245
+    1SOL     H5    5   0.167589  -0.213181   0.155541
+    1SOL     H6    6   0.111418  -0.127948   0.043742
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/376/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020642   0.091729   0.017946
+    0SOL     H3    3   0.047006  -0.048842   0.067581
+    1SOL     O4    4   0.068559   0.276864  -0.039621
+    1SOL     H5    5   0.093073   0.324094  -0.119187
+    1SOL     H6    6   0.025263   0.342552   0.014903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/377/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032940  -0.045097   0.077740
+    0SOL     H3    3   0.014452   0.092857   0.018194
+    1SOL     O4    4  -0.205820  -0.042968  -0.296636
+    1SOL     H5    5  -0.209553   0.016069  -0.371889
+    1SOL     H6    6  -0.186217  -0.128728  -0.334363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/378/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044822   0.067696   0.050700
+    0SOL     H3    3  -0.093029   0.015191   0.016651
+    1SOL     O4    4  -0.261702  -0.065160   0.045448
+    1SOL     H5    5  -0.331492  -0.011048   0.008520
+    1SOL     H6    6  -0.252629  -0.034369   0.135625
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/379/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057994  -0.054191   0.053501
+    0SOL     H3    3  -0.017910  -0.053272  -0.077483
+    1SOL     O4    4  -0.024972   0.266946   0.048320
+    1SOL     H5    5  -0.011530   0.183902   0.002655
+    1SOL     H6    6  -0.046117   0.241755   0.138212
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/380/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072123   0.031730   0.054349
+    0SOL     H3    3   0.040441  -0.019529  -0.084531
+    1SOL     O4    4   0.051482  -0.021697  -0.259073
+    1SOL     H5    5   0.076999   0.049814  -0.317359
+    1SOL     H6    6   0.073201  -0.101221  -0.307721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/381/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011330  -0.091689   0.025043
+    0SOL     H3    3   0.004591   0.048178   0.082584
+    1SOL     O4    4  -0.269456  -0.022835  -0.013868
+    1SOL     H5    5  -0.173814  -0.022424  -0.017705
+    1SOL     H6    6  -0.295366  -0.096717  -0.068936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/382/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093242  -0.006104  -0.020762
+    0SOL     H3    3  -0.019345   0.093669  -0.003777
+    1SOL     O4    4  -0.268700  -0.107290  -0.051784
+    1SOL     H5    5  -0.267280  -0.189374  -0.002565
+    1SOL     H6    6  -0.185734  -0.064810  -0.030004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/383/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005063   0.047963  -0.082682
+    0SOL     H3    3  -0.000232   0.068077   0.067288
+    1SOL     O4    4  -0.205388  -0.165195   0.063685
+    1SOL     H5    5  -0.136515  -0.100616   0.047924
+    1SOL     H6    6  -0.192721  -0.192069   0.154677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/384/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002012   0.077856  -0.055649
+    0SOL     H3    3  -0.090517  -0.011041   0.029105
+    1SOL     O4    4   0.351108   0.158115   0.016542
+    1SOL     H5    5   0.353713   0.151452  -0.078910
+    1SOL     H6    6   0.263754   0.127085   0.040391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/385/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081915  -0.029401   0.039848
+    0SOL     H3    3  -0.042497  -0.080476  -0.029664
+    1SOL     O4    4  -0.124548  -0.163101   0.219806
+    1SOL     H5    5  -0.033393  -0.144720   0.242506
+    1SOL     H6    6  -0.147733  -0.095048   0.156611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/386/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074567   0.059228  -0.009703
+    0SOL     H3    3   0.063260   0.049402   0.052153
+    1SOL     O4    4  -0.227769   0.128526  -0.099184
+    1SOL     H5    5  -0.222531   0.198864  -0.034473
+    1SOL     H6    6  -0.183560   0.163675  -0.176466
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/387/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034281  -0.062624   0.063760
+    0SOL     H3    3   0.010586   0.085320   0.042080
+    1SOL     O4    4   0.022815  -0.023311  -0.276050
+    1SOL     H5    5   0.021011   0.004823  -0.184576
+    1SOL     H6    6   0.100367  -0.079049  -0.282490
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/388/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079039  -0.035169  -0.040966
+    0SOL     H3    3   0.014977  -0.056573   0.075747
+    1SOL     O4    4   0.227003   0.122999  -0.183189
+    1SOL     H5    5   0.256895   0.104502  -0.094157
+    1SOL     H6    6   0.135418   0.148849  -0.172870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/389/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045793   0.074242   0.039414
+    0SOL     H3    3  -0.089705   0.007059   0.032643
+    1SOL     O4    4   0.123485   0.200951   0.135703
+    1SOL     H5    5   0.133980   0.190223   0.230239
+    1SOL     H6    6   0.183262   0.272131   0.112845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/390/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050336  -0.018043  -0.079392
+    0SOL     H3    3   0.060639  -0.018764   0.071646
+    1SOL     O4    4  -0.084806   0.216703   0.173614
+    1SOL     H5    5  -0.161813   0.273550   0.172793
+    1SOL     H6    6  -0.088422   0.170187   0.090035
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/391/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069323  -0.065616   0.007157
+    0SOL     H3    3  -0.037561   0.068685  -0.055081
+    1SOL     O4    4  -0.220568   0.232431   0.124718
+    1SOL     H5    5  -0.139663   0.283530   0.122337
+    1SOL     H6    6  -0.283627   0.289372   0.168805
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/392/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094574   0.008976  -0.011729
+    0SOL     H3    3  -0.032614   0.089976   0.001740
+    1SOL     O4    4  -0.190754   0.179759   0.323233
+    1SOL     H5    5  -0.196147   0.270353   0.353661
+    1SOL     H6    6  -0.280691   0.147373   0.328220
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/393/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071581   0.019697  -0.060419
+    0SOL     H3    3  -0.070738  -0.031740  -0.056134
+    1SOL     O4    4   0.219520  -0.040254  -0.250116
+    1SOL     H5    5   0.298559   0.003499  -0.218479
+    1SOL     H6    6   0.249290  -0.092871  -0.324330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/394/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040609   0.044023   0.074667
+    0SOL     H3    3  -0.054127  -0.068580   0.039107
+    1SOL     O4    4  -0.110084  -0.119703   0.230713
+    1SOL     H5    5  -0.193243  -0.115441   0.277922
+    1SOL     H6    6  -0.086986  -0.212593   0.231126
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/395/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062473  -0.053144   0.049347
+    0SOL     H3    3   0.043078   0.084936  -0.009617
+    1SOL     O4    4   0.238327  -0.167665  -0.225652
+    1SOL     H5    5   0.304656  -0.226998  -0.260901
+    1SOL     H6    6   0.191648  -0.219890  -0.160414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/396/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078572  -0.005339  -0.054408
+    0SOL     H3    3   0.029348  -0.026420   0.087195
+    1SOL     O4    4  -0.016846  -0.073002   0.263684
+    1SOL     H5    5   0.003959  -0.164145   0.284233
+    1SOL     H6    6  -0.006868  -0.026759   0.346897
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/397/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016039   0.008110   0.094018
+    0SOL     H3    3   0.088311   0.034793  -0.012369
+    1SOL     O4    4  -0.089066  -0.245006  -0.081759
+    1SOL     H5    5  -0.176839  -0.232274  -0.117761
+    1SOL     H6    6  -0.049818  -0.157709  -0.082769
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/398/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023371   0.075142  -0.054495
+    0SOL     H3    3  -0.019708   0.028102   0.089354
+    1SOL     O4    4   0.182366  -0.300393  -0.118286
+    1SOL     H5    5   0.241712  -0.373321  -0.136222
+    1SOL     H6    6   0.117577  -0.336498  -0.057778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/399/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082689   0.033191   0.034975
+    0SOL     H3    3  -0.022897  -0.035931  -0.085715
+    1SOL     O4    4  -0.220670   0.088529   0.152554
+    1SOL     H5    5  -0.288237   0.038188   0.197973
+    1SOL     H6    6  -0.267674   0.162464   0.113999
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/400/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084133  -0.027144  -0.036704
+    0SOL     H3    3   0.004331   0.095605   0.001811
+    1SOL     O4    4  -0.156309   0.116736   0.324468
+    1SOL     H5    5  -0.072962   0.137072   0.282018
+    1SOL     H6    6  -0.132075   0.065583   0.401659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/401/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005864  -0.036032  -0.088485
+    0SOL     H3    3   0.043848  -0.064729   0.055225
+    1SOL     O4    4   0.188174   0.208644  -0.007794
+    1SOL     H5    5   0.249331   0.154570   0.042187
+    1SOL     H6    6   0.109911   0.154276  -0.016811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/402/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032708   0.086211   0.025693
+    0SOL     H3    3   0.047755   0.015746  -0.081448
+    1SOL     O4    4  -0.222889  -0.139266   0.069296
+    1SOL     H5    5  -0.201832  -0.166949   0.158473
+    1SOL     H6    6  -0.151583  -0.080196   0.045036
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/403/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003216  -0.095518   0.005320
+    0SOL     H3    3   0.009649   0.019179  -0.093281
+    1SOL     O4    4  -0.147964  -0.251036  -0.192121
+    1SOL     H5    5  -0.137430  -0.298508  -0.274569
+    1SOL     H6    6  -0.108674  -0.308316  -0.126259
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/404/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070712   0.020823  -0.061062
+    0SOL     H3    3   0.029672  -0.087081  -0.026436
+    1SOL     O4    4   0.114958  -0.238765  -0.052401
+    1SOL     H5    5   0.150920  -0.221162   0.034543
+    1SOL     H6    6   0.188371  -0.224346  -0.112107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/405/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086012   0.034660   0.023726
+    0SOL     H3    3  -0.000481  -0.001961  -0.095699
+    1SOL     O4    4   0.258178   0.082493   0.041863
+    1SOL     H5    5   0.263304   0.154248  -0.021282
+    1SOL     H6    6   0.166343   0.055554   0.040175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/406/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019812   0.082285   0.044710
+    0SOL     H3    3   0.084668  -0.030671  -0.032449
+    1SOL     O4    4   0.275346  -0.027726  -0.110652
+    1SOL     H5    5   0.325145  -0.109403  -0.107299
+    1SOL     H6    6   0.251172  -0.018121  -0.202770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/407/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081469  -0.042424  -0.026931
+    0SOL     H3    3  -0.055999  -0.004182  -0.077517
+    1SOL     O4    4  -0.253295  -0.049638  -0.137934
+    1SOL     H5    5  -0.311758   0.018998  -0.105788
+    1SOL     H6    6  -0.285145  -0.068938  -0.226112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/408/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024302   0.082485   0.042047
+    0SOL     H3    3  -0.095552  -0.002329   0.005162
+    1SOL     O4    4   0.111843  -0.193139   0.141007
+    1SOL     H5    5   0.096550  -0.111336   0.093714
+    1SOL     H6    6   0.168841  -0.168458   0.213838
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/409/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035523   0.087647   0.014779
+    0SOL     H3    3   0.075383  -0.052095  -0.027674
+    1SOL     O4    4   0.214717  -0.149298  -0.079234
+    1SOL     H5    5   0.260466  -0.071269  -0.110551
+    1SOL     H6    6   0.220436  -0.211277  -0.151954
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/410/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094106  -0.008258  -0.015432
+    0SOL     H3    3  -0.039666  -0.064566  -0.058482
+    1SOL     O4    4  -0.156359  -0.213973  -0.127181
+    1SOL     H5    5  -0.195578  -0.210930  -0.214445
+    1SOL     H6    6  -0.221851  -0.257935  -0.072955
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/411/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018536   0.065298   0.067490
+    0SOL     H3    3  -0.086009  -0.034912   0.023364
+    1SOL     O4    4   0.099656   0.047811  -0.241144
+    1SOL     H5    5   0.047058   0.120199  -0.275142
+    1SOL     H6    6   0.065841   0.032983  -0.152832
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/412/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059462  -0.045190  -0.059871
+    0SOL     H3    3  -0.007685  -0.058814   0.075128
+    1SOL     O4    4  -0.146191  -0.338992  -0.047428
+    1SOL     H5    5  -0.153651  -0.355955   0.046481
+    1SOL     H6    6  -0.057640  -0.304409  -0.058609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/413/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049353  -0.039035  -0.072131
+    0SOL     H3    3  -0.025108   0.086579  -0.032187
+    1SOL     O4    4  -0.261203   0.209051   0.086492
+    1SOL     H5    5  -0.198162   0.250539   0.145372
+    1SOL     H6    6  -0.342258   0.258253   0.099593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/414/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030912   0.026160  -0.086732
+    0SOL     H3    3  -0.035426   0.066405   0.059141
+    1SOL     O4    4   0.246393  -0.052770   0.086200
+    1SOL     H5    5   0.223149  -0.020381   0.173223
+    1SOL     H6    6   0.171815  -0.029086   0.031067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/415/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016563   0.075949   0.055855
+    0SOL     H3    3   0.055879  -0.068889   0.035975
+    1SOL     O4    4   0.031197   0.110251  -0.253387
+    1SOL     H5    5  -0.008873   0.197059  -0.248788
+    1SOL     H6    6   0.027928   0.077519  -0.163497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/416/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082901  -0.033118   0.034538
+    0SOL     H3    3   0.067106  -0.046814   0.049675
+    1SOL     O4    4   0.057757  -0.075353  -0.254494
+    1SOL     H5    5   0.137549  -0.120952  -0.281259
+    1SOL     H6    6   0.061482  -0.074598  -0.158850
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/417/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079092  -0.010896  -0.052802
+    0SOL     H3    3  -0.060973   0.046372  -0.057396
+    1SOL     O4    4  -0.081952  -0.063243   0.235037
+    1SOL     H5    5  -0.160720  -0.013491   0.257006
+    1SOL     H6    6  -0.063826  -0.040454   0.143853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/418/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071241  -0.009253   0.063257
+    0SOL     H3    3   0.071053  -0.053126   0.035936
+    1SOL     O4    4  -0.350733  -0.063031  -0.081945
+    1SOL     H5    5  -0.309329  -0.005002  -0.145824
+    1SOL     H6    6  -0.322452  -0.150854  -0.107434
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/419/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062768  -0.026282   0.067318
+    0SOL     H3    3   0.081710  -0.042970   0.025287
+    1SOL     O4    4   0.166709   0.204530   0.174981
+    1SOL     H5    5   0.203954   0.116639   0.182067
+    1SOL     H6    6   0.075520   0.189991   0.149771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/420/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095217  -0.002500   0.009477
+    0SOL     H3    3  -0.027224  -0.091501   0.006986
+    1SOL     O4    4   0.284863  -0.019752   0.005747
+    1SOL     H5    5   0.296487   0.055876   0.063259
+    1SOL     H6    6   0.327321   0.005659  -0.076192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/421/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002326  -0.036947   0.088271
+    0SOL     H3    3   0.086029  -0.024556  -0.034035
+    1SOL     O4    4   0.278642  -0.031040  -0.074911
+    1SOL     H5    5   0.313330  -0.055314  -0.160759
+    1SOL     H6    6   0.327671  -0.085171  -0.013037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/422/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031364  -0.000278   0.090435
+    0SOL     H3    3   0.066967   0.048245  -0.048478
+    1SOL     O4    4   0.116479   0.215138  -0.125067
+    1SOL     H5    5   0.176556   0.260710  -0.184028
+    1SOL     H6    6   0.045880   0.277884  -0.109544
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/423/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004511  -0.036249   0.088476
+    0SOL     H3    3   0.063490   0.071338   0.006501
+    1SOL     O4    4   0.188252   0.193269  -0.039480
+    1SOL     H5    5   0.167528   0.216013  -0.130120
+    1SOL     H6    6   0.229584   0.271912  -0.003853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/424/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059308   0.074808  -0.006971
+    0SOL     H3    3  -0.026477  -0.044180   0.080681
+    1SOL     O4    4   0.273019   0.116851   0.101452
+    1SOL     H5    5   0.362066   0.099801   0.132148
+    1SOL     H6    6   0.235857   0.029974   0.086167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/425/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075207   0.005253  -0.058980
+    0SOL     H3    3  -0.051087   0.078640  -0.019191
+    1SOL     O4    4   0.165862   0.275326   0.057297
+    1SOL     H5    5   0.093642   0.326991   0.093036
+    1SOL     H6    6   0.184207   0.209883   0.124699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/426/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048506  -0.079313   0.022780
+    0SOL     H3    3  -0.066174  -0.029477  -0.062566
+    1SOL     O4    4  -0.276228  -0.105353   0.163929
+    1SOL     H5    5  -0.290264  -0.026977   0.110801
+    1SOL     H6    6  -0.353272  -0.159687   0.147365
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/427/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031052  -0.047697   0.076961
+    0SOL     H3    3  -0.031605  -0.051286  -0.074385
+    1SOL     O4    4  -0.068297  -0.108468  -0.250374
+    1SOL     H5    5  -0.147145  -0.071114  -0.289744
+    1SOL     H6    6   0.003961  -0.068218  -0.298550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/428/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004902   0.056072   0.077423
+    0SOL     H3    3  -0.065271  -0.066306   0.022483
+    1SOL     O4    4  -0.101285  -0.192025  -0.223677
+    1SOL     H5    5  -0.063551  -0.234515  -0.300703
+    1SOL     H6    6  -0.181991  -0.240578  -0.206607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/429/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.029963  -0.083857   0.035109
+    0SOL     H3    3  -0.023958   0.064012   0.067014
+    1SOL     O4    4   0.069874   0.085799  -0.262072
+    1SOL     H5    5   0.039859   0.078906  -0.171441
+    1SOL     H6    6   0.057295   0.177982  -0.284573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/430/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039621  -0.072992   0.047588
+    0SOL     H3    3  -0.038393  -0.004770  -0.087553
+    1SOL     O4    4  -0.140447  -0.214491   0.112719
+    1SOL     H5    5  -0.233447  -0.218442   0.090411
+    1SOL     H6    6  -0.132494  -0.267612   0.191947
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/431/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000683  -0.017968  -0.094016
+    0SOL     H3    3   0.091570   0.017415   0.021770
+    1SOL     O4    4  -0.178122  -0.245065  -0.155417
+    1SOL     H5    5  -0.262816  -0.276675  -0.123953
+    1SOL     H6    6  -0.138619  -0.320957  -0.198338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/432/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046524   0.055745   0.062372
+    0SOL     H3    3   0.000367  -0.086759   0.040437
+    1SOL     O4    4   0.103423   0.046823  -0.257886
+    1SOL     H5    5   0.078347   0.030174  -0.167021
+    1SOL     H6    6   0.062898  -0.024373  -0.307395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/433/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091075   0.007722   0.028426
+    0SOL     H3    3   0.004544   0.051842  -0.080337
+    1SOL     O4    4   0.119315   0.146558  -0.204157
+    1SOL     H5    5   0.073743   0.229054  -0.187427
+    1SOL     H6    6   0.071473   0.107067  -0.277054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/434/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076839  -0.007910  -0.056529
+    0SOL     H3    3  -0.059363  -0.068637  -0.030451
+    1SOL     O4    4  -0.114308   0.248543  -0.104296
+    1SOL     H5    5  -0.206271   0.251346  -0.077890
+    1SOL     H6    6  -0.078595   0.172264  -0.058815
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/435/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031755  -0.001162   0.090292
+    0SOL     H3    3   0.008168   0.091428  -0.027137
+    1SOL     O4    4   0.144466  -0.162019  -0.161146
+    1SOL     H5    5   0.080345  -0.233028  -0.158225
+    1SOL     H6    6   0.106361  -0.093026  -0.106828
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/436/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071426  -0.063003  -0.009550
+    0SOL     H3    3  -0.026653   0.074782  -0.053475
+    1SOL     O4    4  -0.183883  -0.214012  -0.027894
+    1SOL     H5    5  -0.240756  -0.216128   0.049068
+    1SOL     H6    6  -0.243427  -0.224908  -0.102043
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/437/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087415  -0.033844   0.019377
+    0SOL     H3    3   0.000135   0.088751   0.035855
+    1SOL     O4    4   0.263586  -0.111209   0.077299
+    1SOL     H5    5   0.234226  -0.171690   0.145434
+    1SOL     H6    6   0.289180  -0.167748   0.004425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/438/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093692   0.012149  -0.015381
+    0SOL     H3    3  -0.040273   0.080604  -0.032302
+    1SOL     O4    4   0.099581  -0.037381  -0.306617
+    1SOL     H5    5   0.175875   0.015344  -0.282918
+    1SOL     H6    6   0.109949  -0.118391  -0.256695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/439/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009878   0.032630  -0.089443
+    0SOL     H3    3   0.088379  -0.036673   0.002544
+    1SOL     O4    4  -0.161222   0.014052   0.317121
+    1SOL     H5    5  -0.175190   0.084111   0.253411
+    1SOL     H6    6  -0.092999   0.047702   0.375222
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078523  -0.027812   0.047147
+    0SOL     H3    3   0.049705  -0.080676  -0.013530
+    1SOL     O4    4   0.133031   0.210871   0.085228
+    1SOL     H5    5   0.104568   0.239298   0.172085
+    1SOL     H6    6   0.080885   0.132629   0.067300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/441/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033104   0.082784  -0.034832
+    0SOL     H3    3   0.051541  -0.067156  -0.044675
+    1SOL     O4    4  -0.129266   0.183093  -0.207415
+    1SOL     H5    5  -0.165757   0.222817  -0.128341
+    1SOL     H6    6  -0.155299   0.091124  -0.202278
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/442/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056592   0.035536  -0.068533
+    0SOL     H3    3  -0.078623  -0.028838  -0.046358
+    1SOL     O4    4  -0.253646  -0.044190  -0.077512
+    1SOL     H5    5  -0.279351  -0.130229  -0.110663
+    1SOL     H6    6  -0.321432  -0.021809  -0.013744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/443/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024616   0.047415   0.079424
+    0SOL     H3    3  -0.068426   0.053794  -0.039830
+    1SOL     O4    4  -0.224839  -0.067826   0.323423
+    1SOL     H5    5  -0.160334  -0.138098   0.315476
+    1SOL     H6    6  -0.293288  -0.104311   0.379512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/444/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033479  -0.084474   0.030095
+    0SOL     H3    3  -0.022000  -0.014320  -0.092050
+    1SOL     O4    4   0.221315   0.161280   0.017066
+    1SOL     H5    5   0.136755   0.129160  -0.014242
+    1SOL     H6    6   0.235196   0.242968  -0.030859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/445/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090311   0.011814  -0.029439
+    0SOL     H3    3   0.028373  -0.081372  -0.041665
+    1SOL     O4    4   0.262883   0.225914   0.116870
+    1SOL     H5    5   0.245991   0.307156   0.069155
+    1SOL     H6    6   0.176426   0.196509   0.145555
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/446/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001341  -0.042479   0.085767
+    0SOL     H3    3  -0.035914  -0.065541  -0.059806
+    1SOL     O4    4  -0.148283  -0.207544  -0.139095
+    1SOL     H5    5  -0.236431  -0.170562  -0.134141
+    1SOL     H6    6  -0.145407  -0.251416  -0.224121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/447/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043739   0.056339   0.063836
+    0SOL     H3    3   0.087223   0.038163  -0.009903
+    1SOL     O4    4  -0.221819   0.037064   0.242943
+    1SOL     H5    5  -0.251775   0.053260   0.332400
+    1SOL     H6    6  -0.271285  -0.039835   0.214623
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/448/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002563   0.095474  -0.006365
+    0SOL     H3    3  -0.080503  -0.029078  -0.042850
+    1SOL     O4    4  -0.145358   0.015702   0.237215
+    1SOL     H5    5  -0.128195  -0.015311   0.148299
+    1SOL     H6    6  -0.235672  -0.010676   0.254817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/449/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036578   0.009778  -0.087913
+    0SOL     H3    3   0.007067   0.087230   0.038772
+    1SOL     O4    4   0.037651   0.055741   0.325348
+    1SOL     H5    5  -0.029707   0.000792   0.285275
+    1SOL     H6    6   0.118410   0.031651   0.279961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/450/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067688  -0.033491   0.058813
+    0SOL     H3    3  -0.034296  -0.016371  -0.087853
+    1SOL     O4    4   0.268678  -0.165346   0.063250
+    1SOL     H5    5   0.227660  -0.160692   0.149611
+    1SOL     H6    6   0.346817  -0.218985   0.076655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/451/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089799  -0.032139   0.008103
+    0SOL     H3    3   0.021784  -0.012674  -0.092343
+    1SOL     O4    4   0.043576  -0.274692   0.023010
+    1SOL     H5    5   0.018896  -0.311677   0.107777
+    1SOL     H6    6   0.048668  -0.180378   0.038543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/452/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033388  -0.088196  -0.016400
+    0SOL     H3    3   0.077649   0.051260   0.022481
+    1SOL     O4    4   0.118442  -0.250327  -0.006182
+    1SOL     H5    5   0.094400  -0.342962  -0.007972
+    1SOL     H6    6   0.169854  -0.240421   0.073949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/453/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090587   0.010767  -0.028990
+    0SOL     H3    3  -0.001265   0.024861   0.092426
+    1SOL     O4    4   0.019407   0.099990   0.311166
+    1SOL     H5    5   0.083625   0.166981   0.287700
+    1SOL     H6    6   0.067078   0.017335   0.303555
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/454/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027779   0.004523   0.091489
+    0SOL     H3    3  -0.047537   0.071055  -0.043055
+    1SOL     O4    4  -0.061034  -0.141704   0.243821
+    1SOL     H5    5  -0.117559  -0.145601   0.320970
+    1SOL     H6    6  -0.050786  -0.232999   0.216942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/455/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028779   0.012308   0.090458
+    0SOL     H3    3  -0.080865   0.000670  -0.051213
+    1SOL     O4    4  -0.019564  -0.216893  -0.243186
+    1SOL     H5    5  -0.021668  -0.296767  -0.295893
+    1SOL     H6    6   0.070665  -0.185759  -0.250386
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/456/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068970   0.037963  -0.054445
+    0SOL     H3    3   0.029833   0.014143   0.089846
+    1SOL     O4    4   0.119040   0.046788  -0.243653
+    1SOL     H5    5   0.210039   0.017112  -0.242660
+    1SOL     H6    6   0.079739   0.001191  -0.318075
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/457/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028206  -0.091072   0.008526
+    0SOL     H3    3   0.081460   0.049847  -0.006473
+    1SOL     O4    4   0.186370   0.195985   0.016152
+    1SOL     H5    5   0.250960   0.258591  -0.016572
+    1SOL     H6    6   0.165244   0.227097   0.104175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/458/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091122   0.023247   0.017853
+    0SOL     H3    3  -0.000218  -0.095571  -0.005341
+    1SOL     O4    4  -0.041718   0.126242  -0.246782
+    1SOL     H5    5  -0.091229   0.202995  -0.218148
+    1SOL     H6    6   0.009394   0.100642  -0.170006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/459/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011186  -0.042055  -0.085256
+    0SOL     H3    3   0.030245   0.088438  -0.020648
+    1SOL     O4    4  -0.243129   0.000442   0.113640
+    1SOL     H5    5  -0.156017   0.001199   0.073974
+    1SOL     H6    6  -0.240371  -0.071929   0.176227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/460/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083753  -0.021453   0.041080
+    0SOL     H3    3   0.019269   0.075280  -0.055892
+    1SOL     O4    4  -0.216708  -0.156621   0.165246
+    1SOL     H5    5  -0.266042  -0.194560   0.237972
+    1SOL     H6    6  -0.176498  -0.077913   0.201995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/461/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045419   0.036389   0.075995
+    0SOL     H3    3  -0.064517   0.066660  -0.023588
+    1SOL     O4    4  -0.137224   0.243433  -0.059550
+    1SOL     H5    5  -0.226355   0.211273  -0.045988
+    1SOL     H6    6  -0.129264   0.252767  -0.154480
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/462/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060724   0.068892  -0.026995
+    0SOL     H3    3  -0.016048  -0.010754   0.093750
+    1SOL     O4    4   0.152285   0.152245   0.279862
+    1SOL     H5    5   0.147451   0.061055   0.251169
+    1SOL     H6    6   0.175161   0.147024   0.372661
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/463/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016260  -0.088489  -0.032676
+    0SOL     H3    3  -0.024211   0.057279  -0.072768
+    1SOL     O4    4  -0.377518   0.056357  -0.016115
+    1SOL     H5    5  -0.339175   0.069245   0.070638
+    1SOL     H6    6  -0.362334  -0.036128  -0.035565
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/464/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018241  -0.040476   0.084801
+    0SOL     H3    3  -0.020497  -0.073517  -0.057770
+    1SOL     O4    4  -0.038772  -0.233864  -0.166020
+    1SOL     H5    5   0.013616  -0.261541  -0.241198
+    1SOL     H6    6  -0.127186  -0.264832  -0.185673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/465/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027013  -0.000268   0.091829
+    0SOL     H3    3   0.082008   0.004877  -0.049125
+    1SOL     O4    4  -0.033804   0.272478  -0.069103
+    1SOL     H5    5   0.025424   0.312851  -0.005666
+    1SOL     H6    6  -0.075555   0.201093  -0.020903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/466/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024700  -0.073828  -0.055692
+    0SOL     H3    3   0.095571  -0.003739   0.003817
+    1SOL     O4    4   0.000546  -0.111934   0.236502
+    1SOL     H5    5   0.082677  -0.160182   0.227072
+    1SOL     H6    6  -0.006457  -0.060522   0.156065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/467/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052645  -0.064069  -0.047812
+    0SOL     H3    3  -0.080356  -0.046921   0.022442
+    1SOL     O4    4   0.163378  -0.249344   0.182643
+    1SOL     H5    5   0.255705  -0.256093   0.206984
+    1SOL     H6    6   0.164110  -0.243538   0.087102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/468/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053979  -0.019703   0.076553
+    0SOL     H3    3  -0.089519  -0.018616   0.028322
+    1SOL     O4    4   0.264047   0.009804  -0.228793
+    1SOL     H5    5   0.298442  -0.077159  -0.208379
+    1SOL     H6    6   0.287117   0.063191  -0.152767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/469/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087191   0.033346   0.021170
+    0SOL     H3    3   0.058430   0.074296   0.015112
+    1SOL     O4    4  -0.217198   0.148296   0.017944
+    1SOL     H5    5  -0.225325   0.201385  -0.061289
+    1SOL     H6    6  -0.275113   0.073599   0.002828
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/470/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064559  -0.024886  -0.066145
+    0SOL     H3    3  -0.024992  -0.049773   0.077848
+    1SOL     O4    4   0.051401  -0.216513  -0.234257
+    1SOL     H5    5  -0.028871  -0.164724  -0.240307
+    1SOL     H6    6   0.060754  -0.235466  -0.140900
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/471/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001157   0.070024  -0.065251
+    0SOL     H3    3   0.079389   0.016042   0.051013
+    1SOL     O4    4   0.130426   0.323529  -0.035569
+    1SOL     H5    5   0.194938   0.381473  -0.076103
+    1SOL     H6    6   0.148975   0.237269  -0.072685
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/472/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049593  -0.020880   0.079163
+    0SOL     H3    3   0.066339   0.027280  -0.063382
+    1SOL     O4    4   0.142697   0.246453  -0.288354
+    1SOL     H5    5   0.128265   0.268806  -0.380302
+    1SOL     H6    6   0.216741   0.300965  -0.261741
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/473/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011274   0.080973   0.049785
+    0SOL     H3    3  -0.086513  -0.040953   0.000874
+    1SOL     O4    4  -0.081823   0.264270   0.107266
+    1SOL     H5    5  -0.037668   0.334034   0.155698
+    1SOL     H6    6  -0.148469   0.231573   0.167694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/474/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066920  -0.048656   0.048132
+    0SOL     H3    3   0.041173   0.055829   0.065956
+    1SOL     O4    4  -0.163902   0.155539  -0.202692
+    1SOL     H5    5  -0.104728   0.118260  -0.137340
+    1SOL     H6    6  -0.106611   0.181806  -0.274735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/475/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034931   0.051339   0.072845
+    0SOL     H3    3   0.074890  -0.013219  -0.058130
+    1SOL     O4    4  -0.192260  -0.244815   0.013691
+    1SOL     H5    5  -0.165558  -0.321580   0.064252
+    1SOL     H6    6  -0.110817  -0.197173  -0.002420
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012629   0.083900   0.044314
+    0SOL     H3    3  -0.088623  -0.030232  -0.019855
+    1SOL     O4    4  -0.209556  -0.148201  -0.108917
+    1SOL     H5    5  -0.294690  -0.111579  -0.084971
+    1SOL     H6    6  -0.192262  -0.113500  -0.196433
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/477/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054522   0.062777  -0.047420
+    0SOL     H3    3  -0.006918  -0.075105  -0.058939
+    1SOL     O4    4  -0.032476  -0.000811   0.277053
+    1SOL     H5    5  -0.029641   0.021126   0.183924
+    1SOL     H6    6  -0.012322   0.081424   0.321703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/478/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055342   0.021065  -0.075205
+    0SOL     H3    3   0.026973   0.085101   0.034533
+    1SOL     O4    4   0.088521   0.226613   0.120689
+    1SOL     H5    5   0.171033   0.187005   0.148711
+    1SOL     H6    6   0.114699   0.305160   0.072653
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/479/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058511   0.068610  -0.032118
+    0SOL     H3    3   0.087631   0.029874  -0.024302
+    1SOL     O4    4  -0.015510  -0.077394   0.252615
+    1SOL     H5    5  -0.032220  -0.056243   0.160769
+    1SOL     H6    6   0.079894  -0.081197   0.259393
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/480/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008572   0.024394  -0.092162
+    0SOL     H3    3   0.055766  -0.077193   0.009680
+    1SOL     O4    4   0.228162   0.193007  -0.150794
+    1SOL     H5    5   0.174786   0.230436  -0.220883
+    1SOL     H6    6   0.175569   0.204766  -0.071687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/481/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082195  -0.049053   0.000237
+    0SOL     H3    3   0.058661  -0.051196   0.055680
+    1SOL     O4    4   0.281174   0.138347  -0.132662
+    1SOL     H5    5   0.281025   0.217549  -0.186414
+    1SOL     H6    6   0.275815   0.066536  -0.195724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/482/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076996   0.055857   0.010675
+    0SOL     H3    3   0.002820  -0.052522   0.079974
+    1SOL     O4    4  -0.043881  -0.167411  -0.201774
+    1SOL     H5    5  -0.013706  -0.107423  -0.133560
+    1SOL     H6    6   0.033322  -0.182533  -0.256303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/483/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021689  -0.063378   0.068375
+    0SOL     H3    3  -0.072639  -0.040101  -0.047726
+    1SOL     O4    4   0.007000   0.170507   0.265352
+    1SOL     H5    5  -0.071049   0.115562   0.258157
+    1SOL     H6    6   0.027606   0.194864   0.175106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/484/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019549  -0.006323  -0.093489
+    0SOL     H3    3   0.069486  -0.050275   0.042502
+    1SOL     O4    4  -0.273756  -0.010979  -0.000751
+    1SOL     H5    5  -0.178531  -0.004199   0.006223
+    1SOL     H6    6  -0.306843   0.063912   0.048835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/485/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009979   0.071552   0.062793
+    0SOL     H3    3   0.040910   0.032555  -0.080180
+    1SOL     O4    4  -0.277724   0.038559  -0.237567
+    1SOL     H5    5  -0.263927   0.091706  -0.159161
+    1SOL     H6    6  -0.191775   0.000904  -0.256464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/486/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044206   0.074803  -0.040158
+    0SOL     H3    3  -0.003033  -0.066066  -0.069198
+    1SOL     O4    4   0.127218   0.287971  -0.006689
+    1SOL     H5    5   0.135376   0.228126   0.067570
+    1SOL     H6    6   0.050772   0.341703   0.014076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/487/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005203   0.079399   0.053207
+    0SOL     H3    3   0.090286  -0.031365  -0.005198
+    1SOL     O4    4  -0.007167   0.205648   0.169675
+    1SOL     H5    5  -0.001690   0.162552   0.254969
+    1SOL     H6    6  -0.098131   0.234751   0.163288
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/488/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090643  -0.026872   0.014966
+    0SOL     H3    3   0.004364   0.095197  -0.008990
+    1SOL     O4    4  -0.375179   0.002651   0.032027
+    1SOL     H5    5  -0.450520   0.050835   0.066150
+    1SOL     H6    6  -0.413331  -0.072246  -0.013768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/489/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056134   0.048777   0.060267
+    0SOL     H3    3  -0.087994   0.033922   0.016390
+    1SOL     O4    4  -0.272888   0.000526   0.064467
+    1SOL     H5    5  -0.328728  -0.046287   0.002396
+    1SOL     H6    6  -0.219306  -0.067778   0.104787
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/490/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049778   0.059310  -0.056274
+    0SOL     H3    3   0.006188  -0.081227  -0.050261
+    1SOL     O4    4  -0.171250  -0.118490   0.188853
+    1SOL     H5    5  -0.247885  -0.148156   0.139766
+    1SOL     H6    6  -0.096973  -0.138935   0.132044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/491/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059478  -0.063457   0.039973
+    0SOL     H3    3  -0.005162   0.076843   0.056840
+    1SOL     O4    4  -0.032641   0.174419   0.216565
+    1SOL     H5    5  -0.006222   0.260653   0.248629
+    1SOL     H6    6  -0.118542   0.159419   0.256042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/492/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070859  -0.064264   0.003373
+    0SOL     H3    3   0.011269   0.028086   0.090810
+    1SOL     O4    4  -0.238420  -0.157693  -0.001301
+    1SOL     H5    5  -0.253343  -0.099178  -0.075569
+    1SOL     H6    6  -0.210842  -0.240309  -0.041004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/493/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038205  -0.072567  -0.049363
+    0SOL     H3    3  -0.075757  -0.038310   0.044222
+    1SOL     O4    4  -0.188132   0.076304  -0.242037
+    1SOL     H5    5  -0.096577   0.086253  -0.215943
+    1SOL     H6    6  -0.235695   0.066695  -0.159528
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/494/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004493  -0.080903  -0.050959
+    0SOL     H3    3  -0.004461  -0.028790   0.091179
+    1SOL     O4    4  -0.298422  -0.061707   0.272979
+    1SOL     H5    5  -0.325914   0.024746   0.303514
+    1SOL     H6    6  -0.356128  -0.080484   0.198954
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/495/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005022  -0.017892   0.093899
+    0SOL     H3    3   0.013245  -0.085890  -0.040122
+    1SOL     O4    4  -0.330098   0.069922   0.101173
+    1SOL     H5    5  -0.288975   0.138015   0.154413
+    1SOL     H6    6  -0.416819   0.104749   0.080466
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/496/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036531   0.062458  -0.062664
+    0SOL     H3    3  -0.075141  -0.051834   0.028799
+    1SOL     O4    4   0.097298  -0.183638  -0.154617
+    1SOL     H5    5   0.087552  -0.119343  -0.084379
+    1SOL     H6    6   0.072887  -0.136228  -0.234108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/497/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018730  -0.014482   0.092746
+    0SOL     H3    3   0.013726  -0.087747  -0.035698
+    1SOL     O4    4  -0.344070   0.107331   0.131811
+    1SOL     H5    5  -0.313774   0.058237   0.208193
+    1SOL     H6    6  -0.290070   0.186361   0.131113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/498/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050995   0.015309  -0.079546
+    0SOL     H3    3   0.026217   0.087408   0.028893
+    1SOL     O4    4  -0.153282  -0.066454   0.209710
+    1SOL     H5    5  -0.102307  -0.063503   0.128746
+    1SOL     H6    6  -0.099338  -0.020056   0.273738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/499/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015129   0.094453   0.003471
+    0SOL     H3    3   0.067611  -0.032975  -0.059192
+    1SOL     O4    4  -0.181287   0.028263  -0.311027
+    1SOL     H5    5  -0.150725  -0.061582  -0.298533
+    1SOL     H6    6  -0.102185   0.081709  -0.304042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/500/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045881  -0.038204  -0.074818
+    0SOL     H3    3  -0.003234   0.094399  -0.015516
+    1SOL     O4    4  -0.153504   0.050713   0.237087
+    1SOL     H5    5  -0.066237   0.022535   0.264527
+    1SOL     H6    6  -0.166474   0.009086   0.151874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/501/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072323   0.061735  -0.010977
+    0SOL     H3    3  -0.058913   0.018816  -0.073058
+    1SOL     O4    4  -0.075736  -0.249171   0.008508
+    1SOL     H5    5  -0.026708  -0.305626   0.068269
+    1SOL     H6    6  -0.030776  -0.164782   0.012904
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/502/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048312  -0.004634   0.082503
+    0SOL     H3    3   0.089883  -0.023049   0.023496
+    1SOL     O4    4   0.007747  -0.043414   0.275925
+    1SOL     H5    5   0.038557   0.014194   0.345885
+    1SOL     H6    6   0.025818  -0.131802   0.307914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/503/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093701   0.017446  -0.008840
+    0SOL     H3    3  -0.008215  -0.094403  -0.013522
+    1SOL     O4    4  -0.164187   0.039233   0.211328
+    1SOL     H5    5  -0.204616   0.122562   0.187160
+    1SOL     H6    6  -0.114104   0.013512   0.133917
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/504/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019696  -0.047197   0.080913
+    0SOL     H3    3  -0.062893   0.072140  -0.001620
+    1SOL     O4    4  -0.005993   0.276591  -0.080297
+    1SOL     H5    5   0.071712   0.263323  -0.134595
+    1SOL     H6    6  -0.073342   0.306096  -0.141583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/505/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003750   0.021157   0.093277
+    0SOL     H3    3  -0.074491   0.050227  -0.033025
+    1SOL     O4    4  -0.166789   0.182211  -0.201834
+    1SOL     H5    5  -0.122108   0.247794  -0.148309
+    1SOL     H6    6  -0.105480   0.163415  -0.272899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/506/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037387   0.074212   0.047509
+    0SOL     H3    3   0.034865   0.008302  -0.088757
+    1SOL     O4    4  -0.270504  -0.057950   0.059186
+    1SOL     H5    5  -0.257519  -0.085349   0.149977
+    1SOL     H6    6  -0.181965  -0.046019   0.024823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/507/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083277   0.015295  -0.044646
+    0SOL     H3    3  -0.030025  -0.084491  -0.033498
+    1SOL     O4    4   0.293927   0.052565  -0.021028
+    1SOL     H5    5   0.310486   0.136719  -0.063527
+    1SOL     H6    6   0.357478  -0.007161  -0.060478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/508/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026673   0.022443  -0.089147
+    0SOL     H3    3  -0.071315  -0.062824  -0.011385
+    1SOL     O4    4  -0.115435   0.224294   0.090144
+    1SOL     H5    5  -0.134511   0.183376   0.174549
+    1SOL     H6    6  -0.061705   0.159980   0.043894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/509/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077574  -0.047915   0.029133
+    0SOL     H3    3  -0.071057  -0.063922   0.005225
+    1SOL     O4    4   0.157182   0.006856  -0.223165
+    1SOL     H5    5   0.222314   0.069929  -0.192473
+    1SOL     H6    6   0.093438   0.001608  -0.151951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/510/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055507   0.033442  -0.070448
+    0SOL     H3    3  -0.089407   0.015178  -0.030632
+    1SOL     O4    4   0.093610  -0.228769   0.104967
+    1SOL     H5    5   0.050281  -0.156535   0.059501
+    1SOL     H6    6   0.171770  -0.246606   0.052667
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/511/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012275   0.045456   0.083339
+    0SOL     H3    3   0.069270  -0.063728   0.017399
+    1SOL     O4    4   0.172136   0.114207  -0.197671
+    1SOL     H5    5   0.223336   0.053315  -0.250896
+    1SOL     H6    6   0.113318   0.058199  -0.147016
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/512/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053442  -0.008869  -0.078915
+    0SOL     H3    3  -0.024854  -0.089692   0.022358
+    1SOL     O4    4   0.224609   0.069714   0.138192
+    1SOL     H5    5   0.131679   0.066776   0.115439
+    1SOL     H6    6   0.226735   0.053700   0.232539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/513/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028673   0.089692   0.017191
+    0SOL     H3    3   0.005202  -0.009038  -0.095150
+    1SOL     O4    4  -0.111623  -0.187932   0.191244
+    1SOL     H5    5  -0.142984  -0.139094   0.115128
+    1SOL     H6    6  -0.030290  -0.144005   0.216098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/514/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092649   0.023765  -0.003703
+    0SOL     H3    3   0.002322  -0.091813  -0.026969
+    1SOL     O4    4   0.080537   0.120787  -0.239053
+    1SOL     H5    5   0.079210   0.216276  -0.232539
+    1SOL     H6    6   0.053686   0.090440  -0.152333
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/515/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069136  -0.066096  -0.003722
+    0SOL     H3    3   0.059320  -0.023271  -0.071428
+    1SOL     O4    4   0.187665  -0.047482  -0.158181
+    1SOL     H5    5   0.239575  -0.098085  -0.095676
+    1SOL     H6    6   0.238571   0.032280  -0.172637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/516/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076938  -0.025355  -0.050990
+    0SOL     H3    3   0.001396  -0.058108   0.076052
+    1SOL     O4    4   0.180086  -0.027989  -0.173428
+    1SOL     H5    5   0.237317  -0.098348  -0.142824
+    1SOL     H6    6   0.225584   0.052477  -0.148581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/517/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028740   0.080233  -0.043577
+    0SOL     H3    3  -0.015924  -0.061715  -0.071415
+    1SOL     O4    4  -0.034603  -0.040960   0.267220
+    1SOL     H5    5   0.005027   0.003622   0.342081
+    1SOL     H6    6  -0.011139   0.013196   0.191861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/518/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038063  -0.053100  -0.069957
+    0SOL     H3    3   0.092991  -0.022688  -0.000538
+    1SOL     O4    4  -0.072331   0.009727   0.272063
+    1SOL     H5    5  -0.045912   0.013184   0.180126
+    1SOL     H6    6  -0.096682   0.099796   0.293439
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/519/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052721   0.053451  -0.059378
+    0SOL     H3    3  -0.063109  -0.058210   0.042322
+    1SOL     O4    4  -0.169731  -0.179597   0.110040
+    1SOL     H5    5  -0.164423  -0.274464   0.098446
+    1SOL     H6    6  -0.259284  -0.157289   0.084645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/520/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080324   0.049358   0.016558
+    0SOL     H3    3   0.011263  -0.081359   0.049155
+    1SOL     O4    4   0.023104  -0.209866  -0.312253
+    1SOL     H5    5   0.113994  -0.194209  -0.286639
+    1SOL     H6    6   0.011101  -0.157405  -0.391411
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/521/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046105  -0.013085   0.082858
+    0SOL     H3    3   0.060851   0.071792   0.017474
+    1SOL     O4    4  -0.222864   0.151577  -0.101258
+    1SOL     H5    5  -0.173097   0.202591  -0.165157
+    1SOL     H6    6  -0.160546   0.086685  -0.068580
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/522/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065521  -0.055829  -0.041862
+    0SOL     H3    3  -0.050568   0.071447   0.038736
+    1SOL     O4    4  -0.008286   0.085636  -0.354746
+    1SOL     H5    5  -0.012073   0.152854  -0.422789
+    1SOL     H6    6  -0.099334   0.073673  -0.327737
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/523/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048598   0.041621  -0.071191
+    0SOL     H3    3  -0.064851   0.065347   0.026202
+    1SOL     O4    4  -0.061569  -0.265042  -0.091607
+    1SOL     H5    5  -0.025035  -0.177110  -0.081833
+    1SOL     H6    6  -0.007126  -0.306334  -0.158640
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/524/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036403   0.086778  -0.017514
+    0SOL     H3    3   0.076544  -0.056767   0.008990
+    1SOL     O4    4  -0.093233  -0.266953  -0.116042
+    1SOL     H5    5  -0.046442  -0.297906  -0.038487
+    1SOL     H6    6  -0.109962  -0.346127  -0.167168
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/525/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074619   0.041318  -0.043442
+    0SOL     H3    3  -0.029874  -0.015296   0.089643
+    1SOL     O4    4   0.166940  -0.176267  -0.146880
+    1SOL     H5    5   0.136816  -0.144939  -0.232165
+    1SOL     H6    6   0.112134  -0.129910  -0.083559
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/526/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030692   0.083912  -0.034338
+    0SOL     H3    3  -0.095243   0.003894  -0.008715
+    1SOL     O4    4  -0.250686  -0.111972  -0.153967
+    1SOL     H5    5  -0.276606  -0.058085  -0.228711
+    1SOL     H6    6  -0.322638  -0.102615  -0.091535
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/527/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092217  -0.012601   0.022349
+    0SOL     H3    3  -0.020143  -0.071718  -0.060110
+    1SOL     O4    4   0.273446   0.000775   0.094468
+    1SOL     H5    5   0.328465  -0.074940   0.114532
+    1SOL     H6    6   0.269380   0.049903   0.176519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/528/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026344   0.086728  -0.030767
+    0SOL     H3    3   0.031056  -0.059982  -0.067824
+    1SOL     O4    4  -0.277954  -0.052432  -0.069490
+    1SOL     H5    5  -0.300358   0.014936  -0.005287
+    1SOL     H6    6  -0.185290  -0.070626  -0.053842
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/529/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048814  -0.075171   0.033599
+    0SOL     H3    3   0.066808   0.066491  -0.016672
+    1SOL     O4    4   0.039948  -0.053904   0.324740
+    1SOL     H5    5   0.001870   0.018007   0.274330
+    1SOL     H6    6   0.014245  -0.132851   0.277105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/530/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078534   0.049999   0.022243
+    0SOL     H3    3   0.032356  -0.073756  -0.051724
+    1SOL     O4    4   0.180917   0.110058   0.188343
+    1SOL     H5    5   0.269209   0.142192   0.170058
+    1SOL     H6    6   0.178885   0.098190   0.283303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/531/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094364  -0.010407  -0.012224
+    0SOL     H3    3  -0.035074   0.006993  -0.088787
+    1SOL     O4    4  -0.086227   0.017499  -0.280236
+    1SOL     H5    5  -0.180517   0.021122  -0.296317
+    1SOL     H6    6  -0.058499  -0.065650  -0.318703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/532/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067224   0.068042  -0.003661
+    0SOL     H3    3  -0.043683   0.004822  -0.085035
+    1SOL     O4    4   0.102978  -0.188587   0.245901
+    1SOL     H5    5   0.156402  -0.136352   0.186070
+    1SOL     H6    6   0.160154  -0.260611   0.272468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/533/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091837  -0.020767  -0.017234
+    0SOL     H3    3  -0.045631  -0.083654  -0.009064
+    1SOL     O4    4  -0.107427  -0.272127   0.022100
+    1SOL     H5    5  -0.187061  -0.288250  -0.028505
+    1SOL     H6    6  -0.042284  -0.330797  -0.016325
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/534/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031381   0.018761  -0.088462
+    0SOL     H3    3   0.093583  -0.016951  -0.010825
+    1SOL     O4    4   0.267184  -0.042857  -0.040013
+    1SOL     H5    5   0.293207  -0.001417  -0.122280
+    1SOL     H6    6   0.319437  -0.122951  -0.035906
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/535/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038871  -0.016933  -0.085817
+    0SOL     H3    3   0.058928  -0.043034   0.061951
+    1SOL     O4    4  -0.253929  -0.011104  -0.076493
+    1SOL     H5    5  -0.227729   0.048019  -0.147065
+    1SOL     H6    6  -0.175976  -0.018843  -0.021486
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/536/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027301   0.066873   0.062809
+    0SOL     H3    3   0.002064   0.045543  -0.084166
+    1SOL     O4    4  -0.006251   0.208288  -0.186016
+    1SOL     H5    5  -0.092779   0.215252  -0.226349
+    1SOL     H6    6   0.004275   0.290133  -0.137509
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/537/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037408   0.085888  -0.019654
+    0SOL     H3    3  -0.075089  -0.053623   0.025465
+    1SOL     O4    4   0.186832   0.159709  -0.209035
+    1SOL     H5    5   0.175233   0.151420  -0.114383
+    1SOL     H6    6   0.177906   0.253456  -0.226188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/538/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095263  -0.005651   0.007444
+    0SOL     H3    3   0.023688  -0.071164  -0.059472
+    1SOL     O4    4   0.011338   0.256057  -0.092175
+    1SOL     H5    5   0.065173   0.303223  -0.028617
+    1SOL     H6    6   0.016682   0.164468  -0.064877
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/539/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038096   0.022960   0.084758
+    0SOL     H3    3   0.085912   0.042207   0.000078
+    1SOL     O4    4  -0.045420  -0.276568  -0.140225
+    1SOL     H5    5  -0.039152  -0.369127  -0.116649
+    1SOL     H6    6  -0.054130  -0.276620  -0.235548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/540/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024032  -0.063289   0.067670
+    0SOL     H3    3  -0.083545   0.028164  -0.037274
+    1SOL     O4    4  -0.263406   0.027936   0.194364
+    1SOL     H5    5  -0.229172  -0.060578   0.181886
+    1SOL     H6    6  -0.327712   0.038891   0.124314
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/541/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093799   0.004407  -0.018564
+    0SOL     H3    3   0.022358   0.087558   0.031561
+    1SOL     O4    4   0.136575  -0.228521  -0.273718
+    1SOL     H5    5   0.049150  -0.210742  -0.308405
+    1SOL     H6    6   0.180772  -0.276741  -0.343602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/542/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026766   0.026221  -0.088081
+    0SOL     H3    3  -0.081479   0.047770   0.015541
+    1SOL     O4    4   0.317378  -0.115916   0.091952
+    1SOL     H5    5   0.387242  -0.180036   0.078914
+    1SOL     H6    6   0.239259  -0.168621   0.108743
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/543/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063714   0.018847  -0.068903
+    0SOL     H3    3  -0.061915   0.072890  -0.003975
+    1SOL     O4    4   0.180842   0.062073   0.186341
+    1SOL     H5    5   0.127691   0.051451   0.107446
+    1SOL     H6    6   0.133622   0.126944   0.238536
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/544/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073840   0.060744   0.004497
+    0SOL     H3    3   0.048895   0.027365  -0.077606
+    1SOL     O4    4  -0.027498   0.294283  -0.168579
+    1SOL     H5    5  -0.045940   0.366885  -0.108988
+    1SOL     H6    6   0.067644   0.284251  -0.165462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/545/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024798   0.018935  -0.090492
+    0SOL     H3    3  -0.066051   0.044787   0.052856
+    1SOL     O4    4  -0.033111   0.030942  -0.256729
+    1SOL     H5    5  -0.020995   0.124632  -0.241311
+    1SOL     H6    6   0.001120   0.016513  -0.344946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/546/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003406  -0.010779  -0.095050
+    0SOL     H3    3  -0.013792  -0.088153   0.034658
+    1SOL     O4    4   0.044469  -0.031602  -0.265287
+    1SOL     H5    5   0.138458  -0.015467  -0.257047
+    1SOL     H6    6   0.006804   0.054562  -0.283160
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/547/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088143   0.031771   0.019588
+    0SOL     H3    3   0.013670  -0.072989  -0.060399
+    1SOL     O4    4   0.026846  -0.201749  -0.165183
+    1SOL     H5    5   0.096462  -0.226578  -0.226005
+    1SOL     H6    6  -0.051374  -0.194548  -0.219883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/548/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009000  -0.042079  -0.085502
+    0SOL     H3    3  -0.020477  -0.069078   0.063018
+    1SOL     O4    4   0.287595   0.051535  -0.036288
+    1SOL     H5    5   0.330823  -0.026464  -0.001505
+    1SOL     H6    6   0.195512   0.040524  -0.012583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/549/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074271   0.044000  -0.041354
+    0SOL     H3    3   0.006111  -0.090699  -0.029979
+    1SOL     O4    4  -0.055668   0.025719   0.275331
+    1SOL     H5    5   0.039501   0.021069   0.284473
+    1SOL     H6    6  -0.071980   0.004974   0.183321
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084911  -0.010904   0.042820
+    0SOL     H3    3  -0.054221  -0.070188   0.036001
+    1SOL     O4    4   0.106527   0.135649  -0.229545
+    1SOL     H5    5   0.200382   0.134597  -0.248318
+    1SOL     H6    6   0.096445   0.077332  -0.154314
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/551/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030542  -0.084079   0.034062
+    0SOL     H3    3   0.057186   0.064778   0.041181
+    1SOL     O4    4  -0.078181   0.168728  -0.221329
+    1SOL     H5    5  -0.048787   0.102514  -0.158767
+    1SOL     H6    6  -0.152422   0.128160  -0.266103
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/552/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074553  -0.022970   0.055466
+    0SOL     H3    3   0.017057   0.090244  -0.026970
+    1SOL     O4    4   0.177035  -0.090014   0.209920
+    1SOL     H5    5   0.185778  -0.025973   0.280521
+    1SOL     H6    6   0.265850  -0.100342   0.175751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/553/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063650   0.060092  -0.038728
+    0SOL     H3    3   0.003045   0.024585   0.092459
+    1SOL     O4    4   0.271455   0.133528  -0.092669
+    1SOL     H5    5   0.221266   0.084341  -0.157662
+    1SOL     H6    6   0.352056   0.158036  -0.138113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/554/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015784  -0.015173  -0.093182
+    0SOL     H3    3  -0.049302  -0.076822   0.028810
+    1SOL     O4    4   0.216347  -0.163787   0.230399
+    1SOL     H5    5   0.154404  -0.201533   0.292854
+    1SOL     H6    6   0.291334  -0.137601   0.283818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/555/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022077   0.002937  -0.093093
+    0SOL     H3    3   0.057360   0.075440   0.013453
+    1SOL     O4    4  -0.200983   0.117466   0.173693
+    1SOL     H5    5  -0.133242   0.057243   0.142923
+    1SOL     H6    6  -0.263038   0.122940   0.101019
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055872  -0.060700   0.048540
+    0SOL     H3    3   0.055646   0.032446  -0.070803
+    1SOL     O4    4   0.080322   0.151521  -0.211521
+    1SOL     H5    5   0.174178   0.162845  -0.226521
+    1SOL     H6    6   0.044507   0.240198  -0.215529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/557/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018330  -0.048375   0.080537
+    0SOL     H3    3  -0.062260   0.067762   0.026349
+    1SOL     O4    4   0.200075   0.015233  -0.174979
+    1SOL     H5    5   0.133493  -0.009267  -0.110722
+    1SOL     H6    6   0.228321  -0.067879  -0.213150
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/558/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015358  -0.092426  -0.019593
+    0SOL     H3    3   0.057276   0.018598   0.074403
+    1SOL     O4    4  -0.218100   0.139771  -0.033134
+    1SOL     H5    5  -0.266629   0.120808  -0.113431
+    1SOL     H6    6  -0.145481   0.077414  -0.033688
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012946  -0.031035  -0.089619
+    0SOL     H3    3   0.068437   0.066524  -0.007292
+    1SOL     O4    4   0.088377  -0.152321   0.217922
+    1SOL     H5    5   0.025309  -0.192980   0.277349
+    1SOL     H6    6   0.034821  -0.115331   0.147738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/560/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008480  -0.029018  -0.090820
+    0SOL     H3    3  -0.093099   0.019718   0.010300
+    1SOL     O4    4  -0.287846   0.051007  -0.130223
+    1SOL     H5    5  -0.255231   0.140805  -0.124312
+    1SOL     H6    6  -0.382871   0.059422  -0.122368
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/561/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055265  -0.051690   0.058620
+    0SOL     H3    3   0.057223   0.022387  -0.073394
+    1SOL     O4    4  -0.175746  -0.066971   0.239597
+    1SOL     H5    5  -0.177605  -0.151695   0.195093
+    1SOL     H6    6  -0.087107  -0.060470   0.275138
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/562/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025980  -0.043682   0.081113
+    0SOL     H3    3  -0.077347   0.051052   0.023947
+    1SOL     O4    4  -0.132500  -0.230816  -0.113457
+    1SOL     H5    5  -0.166937  -0.191246  -0.193523
+    1SOL     H6    6  -0.079109  -0.162017  -0.073728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/563/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081794  -0.022590  -0.044291
+    0SOL     H3    3   0.019414   0.081615   0.046092
+    1SOL     O4    4  -0.137353   0.156125  -0.193665
+    1SOL     H5    5  -0.224519   0.135763  -0.227573
+    1SOL     H6    6  -0.102710   0.071842  -0.164364
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/564/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010706  -0.095115   0.000918
+    0SOL     H3    3   0.058918   0.018226   0.073204
+    1SOL     O4    4   0.304522  -0.046770   0.008045
+    1SOL     H5    5   0.283957   0.032781  -0.041059
+    1SOL     H6    6   0.380006  -0.022918   0.061855
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/565/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090600   0.003408   0.030697
+    0SOL     H3    3  -0.040692  -0.068626   0.052886
+    1SOL     O4    4  -0.086595   0.237822   0.078983
+    1SOL     H5    5  -0.080524   0.146817   0.049941
+    1SOL     H6    6  -0.045944   0.288264   0.008517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/566/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063325  -0.003822  -0.071678
+    0SOL     H3    3   0.019572   0.093185   0.009788
+    1SOL     O4    4   0.251039  -0.147693  -0.122332
+    1SOL     H5    5   0.177513  -0.144240  -0.061140
+    1SOL     H6    6   0.285829  -0.236384  -0.113065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/567/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091525  -0.010983   0.025785
+    0SOL     H3    3   0.047070  -0.067136   0.049391
+    1SOL     O4    4  -0.092466  -0.176331   0.209009
+    1SOL     H5    5  -0.057380  -0.102197   0.258360
+    1SOL     H6    6  -0.052864  -0.253283   0.249902
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/568/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009742   0.094654  -0.010398
+    0SOL     H3    3  -0.032926  -0.011082   0.089193
+    1SOL     O4    4   0.255340  -0.104337   0.008131
+    1SOL     H5    5   0.172666  -0.062029  -0.015048
+    1SOL     H6    6   0.321309  -0.057996  -0.043472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/569/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053500  -0.037418  -0.070000
+    0SOL     H3    3  -0.000760  -0.066433   0.068909
+    1SOL     O4    4  -0.140940  -0.079076  -0.211597
+    1SOL     H5    5  -0.224344  -0.119635  -0.187908
+    1SOL     H6    6  -0.086485  -0.151892  -0.241511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/570/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058652  -0.070384   0.027721
+    0SOL     H3    3  -0.012124  -0.014428  -0.093846
+    1SOL     O4    4   0.137571  -0.222266   0.079758
+    1SOL     H5    5   0.227241  -0.241029   0.052018
+    1SOL     H6    6   0.088858  -0.302019   0.059047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/571/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055377  -0.076621  -0.015000
+    0SOL     H3    3  -0.068813  -0.031252   0.058740
+    1SOL     O4    4   0.085552   0.391207   0.016394
+    1SOL     H5    5   0.008164   0.382007  -0.039184
+    1SOL     H6    6   0.148255   0.439373  -0.037555
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/572/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060477  -0.071634  -0.019327
+    0SOL     H3    3   0.056395   0.076356   0.012319
+    1SOL     O4    4   0.103862  -0.253788  -0.009529
+    1SOL     H5    5   0.189279  -0.278795   0.025698
+    1SOL     H6    6   0.040851  -0.287279   0.054269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/573/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043314  -0.018817  -0.083260
+    0SOL     H3    3   0.045004  -0.081408   0.022576
+    1SOL     O4    4  -0.185920  -0.029665  -0.203953
+    1SOL     H5    5  -0.171327   0.007008  -0.291156
+    1SOL     H6    6  -0.212281  -0.120253  -0.220119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/574/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095133  -0.008984   0.005589
+    0SOL     H3    3   0.013669   0.074721  -0.058244
+    1SOL     O4    4  -0.136705  -0.267772  -0.152865
+    1SOL     H5    5  -0.177822  -0.212498  -0.086407
+    1SOL     H6    6  -0.142669  -0.216697  -0.233600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/575/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082190  -0.037649   0.031459
+    0SOL     H3    3   0.052333  -0.075561  -0.026724
+    1SOL     O4    4   0.173195   0.078164   0.206289
+    1SOL     H5    5   0.109644   0.051551   0.139841
+    1SOL     H6    6   0.153568   0.170404   0.222687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/576/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045073  -0.074907  -0.038984
+    0SOL     H3    3  -0.040045   0.045217  -0.074257
+    1SOL     O4    4   0.113756  -0.217384  -0.101715
+    1SOL     H5    5   0.066192  -0.288177  -0.058261
+    1SOL     H6    6   0.203523  -0.225463  -0.069481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/577/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062462   0.044200  -0.057508
+    0SOL     H3    3  -0.041497  -0.083750   0.020647
+    1SOL     O4    4  -0.112849  -0.231938   0.058154
+    1SOL     H5    5  -0.066944  -0.314683   0.043725
+    1SOL     H6    6  -0.159667  -0.244541   0.140686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/578/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078662  -0.005694   0.054241
+    0SOL     H3    3   0.058479   0.058172   0.048564
+    1SOL     O4    4  -0.276068  -0.041675  -0.108699
+    1SOL     H5    5  -0.300048  -0.132411  -0.127523
+    1SOL     H6    6  -0.189554  -0.031017  -0.148247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/579/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052279   0.079349  -0.011529
+    0SOL     H3    3  -0.051433   0.016421   0.079040
+    1SOL     O4    4  -0.021949  -0.276317   0.081685
+    1SOL     H5    5  -0.117581  -0.279136   0.084674
+    1SOL     H6    6  -0.001708  -0.192768   0.039588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/580/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023334   0.053742  -0.075694
+    0SOL     H3    3  -0.095169  -0.008811  -0.005246
+    1SOL     O4    4  -0.027812   0.086703   0.266859
+    1SOL     H5    5   0.042934   0.140185   0.302874
+    1SOL     H6    6   0.004713   0.058242   0.181452
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/581/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093968  -0.016646   0.007428
+    0SOL     H3    3   0.040196  -0.086735   0.004870
+    1SOL     O4    4  -0.168063   0.263864   0.041153
+    1SOL     H5    5  -0.261859   0.282951   0.041667
+    1SOL     H6    6  -0.148382   0.242689  -0.050097
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083903  -0.000332  -0.046071
+    0SOL     H3    3  -0.048960  -0.072535  -0.038781
+    1SOL     O4    4  -0.133772   0.257092   0.090011
+    1SOL     H5    5  -0.135120   0.256328   0.185718
+    1SOL     H6    6  -0.116998   0.166092   0.065519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/583/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049214  -0.081629   0.008778
+    0SOL     H3    3   0.067064   0.068220  -0.003293
+    1SOL     O4    4  -0.184122  -0.260510   0.031301
+    1SOL     H5    5  -0.218823  -0.268867   0.120118
+    1SOL     H6    6  -0.089259  -0.255332   0.042988
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085678  -0.022246   0.036424
+    0SOL     H3    3  -0.015027   0.006748  -0.094292
+    1SOL     O4    4  -0.234612  -0.278652   0.195524
+    1SOL     H5    5  -0.267042  -0.217627   0.261755
+    1SOL     H6    6  -0.311109  -0.298225   0.141418
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033101  -0.089696  -0.004608
+    0SOL     H3    3   0.093631  -0.008007  -0.018207
+    1SOL     O4    4   0.069052  -0.200455  -0.242167
+    1SOL     H5    5   0.100616  -0.114879  -0.271196
+    1SOL     H6    6  -0.026320  -0.193644  -0.246654
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084847  -0.034108   0.028284
+    0SOL     H3    3  -0.036552  -0.069239  -0.055067
+    1SOL     O4    4  -0.050813  -0.219019  -0.148651
+    1SOL     H5    5   0.029038  -0.189836  -0.192634
+    1SOL     H6    6  -0.116653  -0.222190  -0.218058
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/587/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011203   0.015803   0.093739
+    0SOL     H3    3  -0.092222  -0.023828  -0.009468
+    1SOL     O4    4   0.090164   0.310913  -0.085141
+    1SOL     H5    5   0.156160   0.260528  -0.037516
+    1SOL     H6    6   0.124574   0.400222  -0.086575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/588/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058528  -0.038671  -0.065125
+    0SOL     H3    3  -0.013083  -0.069332   0.064685
+    1SOL     O4    4   0.065392   0.192594   0.176408
+    1SOL     H5    5   0.062221   0.126898   0.106864
+    1SOL     H6    6  -0.022707   0.192192   0.213835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/589/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022742  -0.091064  -0.018774
+    0SOL     H3    3   0.042917   0.018733   0.083484
+    1SOL     O4    4   0.126642   0.105351   0.223553
+    1SOL     H5    5   0.100704   0.196753   0.211931
+    1SOL     H6    6   0.104814   0.085606   0.314635
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/590/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050986   0.006148   0.080777
+    0SOL     H3    3  -0.018829  -0.093373  -0.009447
+    1SOL     O4    4   0.121844  -0.013503   0.234914
+    1SOL     H5    5   0.158402   0.074756   0.240938
+    1SOL     H6    6   0.051032  -0.014595   0.299309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/591/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014567  -0.061296  -0.072062
+    0SOL     H3    3  -0.085466  -0.024514   0.035453
+    1SOL     O4    4  -0.271872  -0.047394   0.012621
+    1SOL     H5    5  -0.307735  -0.135871   0.005694
+    1SOL     H6    6  -0.321019  -0.007113   0.084205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/592/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070304   0.063089  -0.015475
+    0SOL     H3    3   0.065599   0.048880   0.049698
+    1SOL     O4    4   0.178696   0.164184   0.116694
+    1SOL     H5    5   0.129576   0.245760   0.126434
+    1SOL     H6    6   0.232479   0.177723   0.038678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/593/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040481  -0.055744   0.066454
+    0SOL     H3    3  -0.010180  -0.048807  -0.081710
+    1SOL     O4    4   0.014830  -0.137088  -0.226130
+    1SOL     H5    5   0.033088  -0.143470  -0.319875
+    1SOL     H6    6   0.097140  -0.161695  -0.183919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/594/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010625   0.010526   0.094544
+    0SOL     H3    3  -0.031953   0.085035  -0.030174
+    1SOL     O4    4  -0.256572   0.014639  -0.361599
+    1SOL     H5    5  -0.218742  -0.043228  -0.295397
+    1SOL     H6    6  -0.350938  -0.000103  -0.355260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/595/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037195   0.088186   0.001456
+    0SOL     H3    3   0.064134  -0.052306  -0.048096
+    1SOL     O4    4   0.087697  -0.252230  -0.086348
+    1SOL     H5    5  -0.007909  -0.254515  -0.082270
+    1SOL     H6    6   0.108096  -0.265632  -0.178904
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/596/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084142   0.020526  -0.040756
+    0SOL     H3    3  -0.063574   0.007361  -0.071180
+    1SOL     O4    4  -0.078177   0.338431   0.058723
+    1SOL     H5    5  -0.129192   0.386695  -0.006319
+    1SOL     H6    6  -0.064140   0.401202   0.129611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/597/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008756  -0.026273   0.091626
+    0SOL     H3    3  -0.090046   0.011299  -0.030436
+    1SOL     O4    4  -0.073329  -0.135084   0.227242
+    1SOL     H5    5  -0.019756  -0.214396   0.228599
+    1SOL     H6    6  -0.031399  -0.076716   0.290467
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/598/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000231   0.009744  -0.095223
+    0SOL     H3    3  -0.090110   0.018781   0.026264
+    1SOL     O4    4  -0.193401   0.180178   0.095511
+    1SOL     H5    5  -0.277779   0.182208   0.050360
+    1SOL     H6    6  -0.145456   0.255104   0.060159
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/599/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013839  -0.094242   0.009447
+    0SOL     H3    3  -0.035189   0.020868  -0.086537
+    1SOL     O4    4  -0.060012   0.140851  -0.222494
+    1SOL     H5    5  -0.091614   0.091187  -0.297974
+    1SOL     H6    6   0.034643   0.146644  -0.235501
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/000/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092820   0.010331  -0.020978
+    0SOL     H3    3  -0.045011   0.012359  -0.083568
+    1SOL     O4    4  -0.191050   0.052168  -0.195749
+    1SOL     H5    5  -0.200274   0.147056  -0.187175
+    1SOL     H6    6  -0.271566   0.016723  -0.158025
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/001/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025940  -0.061429  -0.068673
+    0SOL     H3    3  -0.063326  -0.014461   0.070306
+    1SOL     O4    4  -0.042868  -0.202860  -0.176324
+    1SOL     H5    5  -0.134643  -0.228118  -0.186409
+    1SOL     H6    6  -0.008882  -0.199692  -0.265751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/002/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024472   0.074402  -0.055025
+    0SOL     H3    3   0.044600   0.015968   0.083175
+    1SOL     O4    4   0.019918   0.182007  -0.204207
+    1SOL     H5    5   0.113104   0.172024  -0.223674
+    1SOL     H6    6  -0.024230   0.159956  -0.286226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/003/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018666   0.072824   0.059250
+    0SOL     H3    3   0.095361  -0.008179   0.001324
+    1SOL     O4    4   0.052304   0.316168  -0.112817
+    1SOL     H5    5   0.052999   0.260390  -0.190603
+    1SOL     H6    6   0.115243   0.275285  -0.053406
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/004/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072429   0.039240  -0.048751
+    0SOL     H3    3  -0.075895   0.010192  -0.057432
+    1SOL     O4    4   0.018122   0.220408   0.165868
+    1SOL     H5    5  -0.037935   0.226013   0.243253
+    1SOL     H6    6  -0.001878   0.134850   0.127891
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/005/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019598   0.086601  -0.035756
+    0SOL     H3    3  -0.078441   0.013209   0.053243
+    1SOL     O4    4   0.190942  -0.045177   0.178252
+    1SOL     H5    5   0.278032  -0.046739   0.138564
+    1SOL     H6    6   0.130733  -0.053950   0.104358
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/006/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008706   0.094269  -0.014139
+    0SOL     H3    3  -0.064360  -0.020123   0.067936
+    1SOL     O4    4  -0.013296   0.277343  -0.030559
+    1SOL     H5    5  -0.082119   0.306243   0.029362
+    1SOL     H6    6  -0.023627   0.333116  -0.107662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/007/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084750   0.040931  -0.017445
+    0SOL     H3    3   0.047283   0.006414  -0.082979
+    1SOL     O4    4  -0.011781  -0.271143  -0.010457
+    1SOL     H5    5   0.001523  -0.177752   0.005773
+    1SOL     H6    6   0.037056  -0.288720  -0.090883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/008/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087401   0.025328   0.029697
+    0SOL     H3    3  -0.009346  -0.091379  -0.026925
+    1SOL     O4    4   0.182830   0.030285   0.195776
+    1SOL     H5    5   0.191275   0.125288   0.203857
+    1SOL     H6    6   0.118968   0.017752   0.125584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/009/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023395  -0.071982  -0.058597
+    0SOL     H3    3  -0.043564  -0.021143   0.082568
+    1SOL     O4    4  -0.052794  -0.185018  -0.219859
+    1SOL     H5    5  -0.147206  -0.180116  -0.204870
+    1SOL     H6    6  -0.027056  -0.269661  -0.183317
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/010/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093921  -0.007096  -0.017053
+    0SOL     H3    3  -0.039613  -0.067170  -0.055510
+    1SOL     O4    4   0.256003   0.038200  -0.030014
+    1SOL     H5    5   0.285038   0.106049  -0.090972
+    1SOL     H6    6   0.303570   0.056735   0.050956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/011/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009133  -0.060944  -0.073245
+    0SOL     H3    3  -0.061359  -0.032373   0.065950
+    1SOL     O4    4  -0.040900  -0.158778  -0.212570
+    1SOL     H5    5  -0.133002  -0.134782  -0.202387
+    1SOL     H6    6  -0.011788  -0.110061  -0.289651
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/012/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056791   0.030001  -0.070972
+    0SOL     H3    3  -0.018281   0.059958   0.072341
+    1SOL     O4    4  -0.187204   0.066905  -0.173826
+    1SOL     H5    5  -0.268116   0.033266  -0.135302
+    1SOL     H6    6  -0.172894   0.012269  -0.251108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/013/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020152  -0.092951   0.010783
+    0SOL     H3    3  -0.009180   0.036894   0.087846
+    1SOL     O4    4  -0.373743  -0.028102  -0.045228
+    1SOL     H5    5  -0.348712  -0.104670   0.006473
+    1SOL     H6    6  -0.297752  -0.010776  -0.100793
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/014/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015315   0.093038  -0.016482
+    0SOL     H3    3  -0.037713  -0.044358  -0.075977
+    1SOL     O4    4  -0.033275   0.275042  -0.028320
+    1SOL     H5    5   0.047089   0.299921   0.017341
+    1SOL     H6    6  -0.101052   0.277689   0.039220
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/015/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017704  -0.058876  -0.073366
+    0SOL     H3    3  -0.085406   0.013558   0.041041
+    1SOL     O4    4   0.031207  -0.179112  -0.195708
+    1SOL     H5    5   0.019725  -0.266969  -0.159492
+    1SOL     H6    6  -0.028015  -0.176202  -0.270852
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/016/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060024  -0.001532  -0.074546
+    0SOL     H3    3  -0.055604   0.020508   0.075166
+    1SOL     O4    4  -0.194042   0.030532  -0.191232
+    1SOL     H5    5  -0.186959   0.125760  -0.197850
+    1SOL     H6    6  -0.281103   0.015443  -0.154421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/017/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001065   0.081265  -0.050569
+    0SOL     H3    3   0.029792  -0.066500  -0.062068
+    1SOL     O4    4   0.060450  -0.170016  -0.218275
+    1SOL     H5    5   0.030628  -0.142747  -0.305047
+    1SOL     H6    6   0.034996  -0.262075  -0.211983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/018/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006069   0.095482  -0.002928
+    0SOL     H3    3  -0.061867  -0.017955   0.070799
+    1SOL     O4    4   0.041869  -0.210025  -0.144387
+    1SOL     H5    5   0.019075  -0.122304  -0.113600
+    1SOL     H6    6  -0.016717  -0.225423  -0.218501
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/019/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065745   0.027319  -0.063981
+    0SOL     H3    3  -0.021012   0.050027   0.078855
+    1SOL     O4    4   0.249987  -0.029238  -0.055031
+    1SOL     H5    5   0.155873  -0.016136  -0.066574
+    1SOL     H6    6   0.286662  -0.018438  -0.142784
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/020/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082143  -0.020178   0.044808
+    0SOL     H3    3   0.067913  -0.018709   0.064808
+    1SOL     O4    4   0.049547  -0.210271  -0.131892
+    1SOL     H5    5   0.028990  -0.134189  -0.077565
+    1SOL     H6    6   0.145071  -0.210289  -0.138005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/021/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087693  -0.021677   0.031660
+    0SOL     H3    3   0.043631   0.039625   0.075422
+    1SOL     O4    4  -0.112182  -0.190900   0.365637
+    1SOL     H5    5  -0.137724  -0.105781   0.330075
+    1SOL     H6    6  -0.016599  -0.187577   0.369536
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/022/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024842  -0.062989  -0.067658
+    0SOL     H3    3   0.045970  -0.029736   0.078516
+    1SOL     O4    4  -0.212873  -0.051862   0.185158
+    1SOL     H5    5  -0.306376  -0.052657   0.164693
+    1SOL     H6    6  -0.171031  -0.020430   0.105011
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/023/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006266  -0.050880   0.080835
+    0SOL     H3    3  -0.074260  -0.029466  -0.052721
+    1SOL     O4    4  -0.177519  -0.057085  -0.196397
+    1SOL     H5    5  -0.273117  -0.053339  -0.193326
+    1SOL     H6    6  -0.153844  -0.003868  -0.272355
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001329  -0.055177  -0.078205
+    0SOL     H3    3  -0.039001   0.082702  -0.028313
+    1SOL     O4    4   0.267362  -0.024473   0.021664
+    1SOL     H5    5   0.173255  -0.008477   0.028750
+    1SOL     H6    6   0.297648   0.038900  -0.043366
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018372   0.090338   0.025764
+    0SOL     H3    3   0.014673  -0.051111   0.079591
+    1SOL     O4    4  -0.020498  -0.365689   0.027405
+    1SOL     H5    5  -0.007171  -0.460126   0.035557
+    1SOL     H6    6   0.049094  -0.336631  -0.031543
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095480   0.005394  -0.004092
+    0SOL     H3    3  -0.021792  -0.078384  -0.050432
+    1SOL     O4    4  -0.046461  -0.209761  -0.180329
+    1SOL     H5    5  -0.125323  -0.178207  -0.224460
+    1SOL     H6    6  -0.054594  -0.305121  -0.181925
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018286   0.083704   0.042680
+    0SOL     H3    3  -0.068337  -0.008472  -0.066488
+    1SOL     O4    4  -0.105753   0.113988   0.284778
+    1SOL     H5    5  -0.128183   0.033772   0.331945
+    1SOL     H6    6  -0.182719   0.132504   0.230966
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047853  -0.076240  -0.032554
+    0SOL     H3    3  -0.044435   0.023201   0.081545
+    1SOL     O4    4  -0.194149   0.085171   0.159714
+    1SOL     H5    5  -0.189540   0.177633   0.184041
+    1SOL     H6    6  -0.216818   0.040060   0.241037
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041288   0.056784  -0.065063
+    0SOL     H3    3   0.048259   0.017120   0.080872
+    1SOL     O4    4  -0.252257   0.043258   0.030506
+    1SOL     H5    5  -0.157439   0.030862   0.026251
+    1SOL     H6    6  -0.288616  -0.035950  -0.009075
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022863   0.081221  -0.045197
+    0SOL     H3    3  -0.095578   0.001412   0.005016
+    1SOL     O4    4  -0.141728   0.136252   0.306899
+    1SOL     H5    5  -0.102692   0.187655   0.236215
+    1SOL     H6    6  -0.083446   0.149992   0.381576
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021018   0.092439  -0.013248
+    0SOL     H3    3  -0.029814  -0.043108  -0.080095
+    1SOL     O4    4   0.120142   0.099812  -0.358958
+    1SOL     H5    5   0.039399   0.089890  -0.308516
+    1SOL     H6    6   0.140018   0.011494  -0.390056
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031885  -0.084671  -0.031251
+    0SOL     H3    3  -0.010906   0.052330  -0.079404
+    1SOL     O4    4   0.025280   0.386062   0.004638
+    1SOL     H5    5   0.115018   0.356426   0.019840
+    1SOL     H6    6  -0.021732   0.362208   0.084532
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030659   0.075955  -0.049530
+    0SOL     H3    3   0.076292  -0.028092   0.050525
+    1SOL     O4    4   0.222542  -0.049826   0.156461
+    1SOL     H5    5   0.216811  -0.145122   0.149524
+    1SOL     H6    6   0.291012  -0.025308   0.094227
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032011   0.063592  -0.063981
+    0SOL     H3    3  -0.043533   0.024203   0.081740
+    1SOL     O4    4   0.128146  -0.329901   0.104764
+    1SOL     H5    5   0.138138  -0.265902   0.175238
+    1SOL     H6    6   0.033983  -0.332354   0.087747
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003379   0.093976   0.017874
+    0SOL     H3    3   0.071977  -0.015392  -0.061194
+    1SOL     O4    4  -0.181859  -0.060162  -0.225174
+    1SOL     H5    5  -0.169027  -0.154864  -0.219769
+    1SOL     H6    6  -0.138184  -0.025546  -0.147350
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014840   0.064261  -0.069373
+    0SOL     H3    3  -0.092671   0.009437   0.022031
+    1SOL     O4    4  -0.278716  -0.027119   0.037120
+    1SOL     H5    5  -0.340111  -0.010399   0.108628
+    1SOL     H6    6  -0.310439  -0.107846  -0.003366
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015754   0.064344  -0.069094
+    0SOL     H3    3  -0.005946  -0.084671  -0.044247
+    1SOL     O4    4   0.046726  -0.313096   0.124114
+    1SOL     H5    5   0.070655  -0.237839   0.178207
+    1SOL     H6    6   0.116909  -0.319367   0.059326
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/038/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027917   0.091540  -0.001814
+    0SOL     H3    3  -0.071044  -0.004696  -0.063977
+    1SOL     O4    4   0.045029   0.291784  -0.026029
+    1SOL     H5    5  -0.007942   0.308359  -0.104014
+    1SOL     H6    6  -0.001102   0.337276   0.044431
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/039/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081589   0.009347  -0.049175
+    0SOL     H3    3  -0.010682   0.057931   0.075447
+    1SOL     O4    4   0.034041   0.204256   0.186306
+    1SOL     H5    5   0.129255   0.200757   0.195484
+    1SOL     H6    6   0.018398   0.276925   0.125999
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/040/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086567  -0.008524  -0.039948
+    0SOL     H3    3   0.006616   0.077907   0.055217
+    1SOL     O4    4  -0.081352  -0.205393   0.176460
+    1SOL     H5    5  -0.039929  -0.147262   0.112685
+    1SOL     H6    6  -0.031334  -0.192193   0.256998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/041/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010568   0.090030   0.030744
+    0SOL     H3    3   0.023058  -0.054030   0.075574
+    1SOL     O4    4   0.035183   0.262763   0.025771
+    1SOL     H5    5  -0.040244   0.296025  -0.022878
+    1SOL     H6    6   0.110074   0.280111  -0.031263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/042/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093512   0.016976  -0.011384
+    0SOL     H3    3   0.003688  -0.076519   0.057389
+    1SOL     O4    4  -0.150396  -0.165268  -0.302475
+    1SOL     H5    5  -0.152904  -0.070201  -0.291601
+    1SOL     H6    6  -0.085370  -0.179857  -0.371184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/043/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032175  -0.084421  -0.031626
+    0SOL     H3    3  -0.069931  -0.022439   0.061388
+    1SOL     O4    4   0.191051  -0.006355   0.223422
+    1SOL     H5    5   0.168002   0.079884   0.257975
+    1SOL     H6    6   0.144946  -0.011775   0.139713
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030969  -0.085403  -0.030158
+    0SOL     H3    3  -0.025016   0.046102  -0.080070
+    1SOL     O4    4   0.133948  -0.099760  -0.321602
+    1SOL     H5    5   0.148299  -0.182761  -0.367068
+    1SOL     H6    6   0.147193  -0.032951  -0.388860
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088975   0.027510   0.022112
+    0SOL     H3    3  -0.003150  -0.095638   0.002423
+    1SOL     O4    4  -0.271244   0.018430  -0.004283
+    1SOL     H5    5  -0.273675  -0.062487  -0.055360
+    1SOL     H6    6  -0.294295   0.087047  -0.066915
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058576  -0.034017  -0.067632
+    0SOL     H3    3   0.017989  -0.054210   0.076812
+    1SOL     O4    4  -0.184704  -0.312558  -0.150745
+    1SOL     H5    5  -0.165750  -0.242644  -0.213316
+    1SOL     H6    6  -0.280180  -0.319380  -0.150577
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019820  -0.074279   0.057028
+    0SOL     H3    3   0.068169  -0.002440  -0.067152
+    1SOL     O4    4   0.052181  -0.192847   0.181194
+    1SOL     H5    5   0.070809  -0.286095   0.170236
+    1SOL     H6    6  -0.018558  -0.189914   0.245613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/048/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050338   0.025934   0.077174
+    0SOL     H3    3   0.089407  -0.011177   0.032307
+    1SOL     O4    4  -0.049873  -0.212363  -0.149191
+    1SOL     H5    5  -0.038686  -0.301879  -0.117192
+    1SOL     H6    6  -0.022426  -0.157110  -0.076005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/049/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085285  -0.024359  -0.035992
+    0SOL     H3    3  -0.061064  -0.012039  -0.072723
+    1SOL     O4    4   0.109270  -0.378663  -0.119618
+    1SOL     H5    5   0.142049  -0.434783  -0.189892
+    1SOL     H6    6   0.164001  -0.400292  -0.044127
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030406  -0.090328  -0.008866
+    0SOL     H3    3   0.031727   0.043860  -0.078943
+    1SOL     O4    4  -0.122267   0.269916   0.151255
+    1SOL     H5    5  -0.110511   0.181762   0.186653
+    1SOL     H6    6  -0.060277   0.275026   0.078498
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014683   0.094152  -0.009066
+    0SOL     H3    3   0.039918  -0.038153  -0.078187
+    1SOL     O4    4   0.029484   0.287187   0.006621
+    1SOL     H5    5   0.038174   0.341089   0.085243
+    1SOL     H6    6   0.094742   0.322368  -0.053927
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/052/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021796  -0.055921  -0.074566
+    0SOL     H3    3   0.072734  -0.011991   0.061060
+    1SOL     O4    4   0.322882   0.076416  -0.146790
+    1SOL     H5    5   0.313961  -0.003667  -0.095122
+    1SOL     H6    6   0.342029   0.144548  -0.082341
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007298  -0.093774   0.017760
+    0SOL     H3    3   0.093252   0.014149  -0.016316
+    1SOL     O4    4  -0.091806   0.141668   0.204362
+    1SOL     H5    5  -0.187228   0.134765   0.207418
+    1SOL     H6    6  -0.067230   0.098496   0.122541
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006633  -0.093406   0.019838
+    0SOL     H3    3  -0.081331   0.008241  -0.049797
+    1SOL     O4    4  -0.205162   0.059649  -0.145791
+    1SOL     H5    5  -0.294308   0.053815  -0.111422
+    1SOL     H6    6  -0.199312   0.147865  -0.182479
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015660  -0.092654  -0.018229
+    0SOL     H3    3   0.058499   0.020320   0.072988
+    1SOL     O4    4   0.036719   0.161467  -0.201522
+    1SOL     H5    5  -0.015961   0.139483  -0.278359
+    1SOL     H6    6   0.012862   0.095501  -0.136395
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091555  -0.016693   0.022389
+    0SOL     H3    3  -0.049184  -0.029215   0.076745
+    1SOL     O4    4   0.290741  -0.027278   0.015526
+    1SOL     H5    5   0.323593  -0.100850  -0.036148
+    1SOL     H6    6   0.341634  -0.030233   0.096542
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013459   0.069354   0.064585
+    0SOL     H3    3  -0.084739   0.020243  -0.039646
+    1SOL     O4    4  -0.203333   0.079296  -0.148604
+    1SOL     H5    5  -0.175000   0.163074  -0.185222
+    1SOL     H6    6  -0.195922   0.017561  -0.221379
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005473  -0.054490   0.078506
+    0SOL     H3    3   0.020101   0.087597   0.032940
+    1SOL     O4    4  -0.034033  -0.213780   0.172705
+    1SOL     H5    5   0.022251  -0.236063   0.246853
+    1SOL     H6    6  -0.013422  -0.279573   0.106307
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092698  -0.012536   0.020305
+    0SOL     H3    3   0.003237   0.083399  -0.046866
+    1SOL     O4    4  -0.261211  -0.018016  -0.023718
+    1SOL     H5    5  -0.272907  -0.091452  -0.083989
+    1SOL     H6    6  -0.302419  -0.046977   0.057679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/060/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026467  -0.080287   0.044897
+    0SOL     H3    3  -0.095633  -0.000663   0.004026
+    1SOL     O4    4   0.206756   0.046545  -0.198926
+    1SOL     H5    5   0.128259   0.033730  -0.145668
+    1SOL     H6    6   0.203390  -0.023654  -0.263911
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024629   0.084484   0.037659
+    0SOL     H3    3   0.003411  -0.059562   0.074854
+    1SOL     O4    4  -0.183338  -0.082330  -0.203281
+    1SOL     H5    5  -0.169823  -0.023540  -0.277601
+    1SOL     H6    6  -0.132624  -0.043168  -0.132170
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/062/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055164  -0.036799  -0.069030
+    0SOL     H3    3   0.089124  -0.024493  -0.024888
+    1SOL     O4    4  -0.212381   0.305221  -0.158050
+    1SOL     H5    5  -0.267988   0.290197  -0.081600
+    1SOL     H6    6  -0.225987   0.397421  -0.179875
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/063/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012030   0.092560   0.021221
+    0SOL     H3    3   0.009409  -0.045258   0.083818
+    1SOL     O4    4  -0.012197   0.277286  -0.001877
+    1SOL     H5    5   0.010216   0.343110   0.063905
+    1SOL     H6    6   0.048446   0.293871  -0.074055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/064/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047225  -0.053859  -0.063493
+    0SOL     H3    3  -0.052529  -0.005407   0.079836
+    1SOL     O4    4   0.291639   0.001746   0.005239
+    1SOL     H5    5   0.197414   0.010577   0.019589
+    1SOL     H6    6   0.313934   0.074290  -0.053092
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/065/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094275  -0.006284  -0.015335
+    0SOL     H3    3  -0.036101  -0.079288  -0.039653
+    1SOL     O4    4  -0.106990  -0.342486   0.111542
+    1SOL     H5    5  -0.108512  -0.435242   0.135128
+    1SOL     H6    6  -0.173162  -0.334093   0.042889
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091843  -0.023196  -0.013751
+    0SOL     H3    3   0.032457   0.022250  -0.087257
+    1SOL     O4    4  -0.263023  -0.035477  -0.031961
+    1SOL     H5    5  -0.290812  -0.124964  -0.012410
+    1SOL     H6    6  -0.320362  -0.007600  -0.103358
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065791   0.031112  -0.062177
+    0SOL     H3    3   0.040877  -0.075423   0.042458
+    1SOL     O4    4  -0.271564  -0.025105   0.013687
+    1SOL     H5    5  -0.176799  -0.036994   0.007323
+    1SOL     H6    6  -0.307288  -0.113744   0.008278
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021922   0.077714  -0.051403
+    0SOL     H3    3   0.065041  -0.001465   0.070213
+    1SOL     O4    4   0.379891  -0.015110  -0.021441
+    1SOL     H5    5   0.349303  -0.082737  -0.081884
+    1SOL     H6    6   0.321071  -0.021769   0.053780
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089739  -0.010187   0.031709
+    0SOL     H3    3   0.050258   0.024549   0.077677
+    1SOL     O4    4  -0.251495  -0.015018   0.034945
+    1SOL     H5    5  -0.295454  -0.003849   0.119238
+    1SOL     H6    6  -0.278560   0.061031  -0.016498
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076148   0.037511   0.044235
+    0SOL     H3    3  -0.073443   0.019023   0.058365
+    1SOL     O4    4  -0.036468  -0.267263   0.044977
+    1SOL     H5    5  -0.040163  -0.173040   0.028527
+    1SOL     H6    6  -0.085136  -0.279316   0.126516
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080778  -0.036526  -0.036098
+    0SOL     H3    3   0.066565  -0.018978  -0.066116
+    1SOL     O4    4   0.032079  -0.216198   0.187970
+    1SOL     H5    5   0.127042  -0.228182   0.188754
+    1SOL     H6    6   0.018589  -0.134550   0.139867
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094754   0.013561  -0.000053
+    0SOL     H3    3   0.030719   0.044934  -0.078738
+    1SOL     O4    4   0.080551   0.154829  -0.205038
+    1SOL     H5    5   0.175462   0.142678  -0.202469
+    1SOL     H6    6   0.067139   0.245177  -0.176410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/073/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086179  -0.021578   0.035636
+    0SOL     H3    3   0.007378  -0.053511  -0.079022
+    1SOL     O4    4   0.150406  -0.089336   0.189444
+    1SOL     H5    5   0.104762  -0.063314   0.109433
+    1SOL     H6    6   0.133339  -0.018100   0.251060
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033864   0.084805   0.028701
+    0SOL     H3    3  -0.014022  -0.058013   0.074834
+    1SOL     O4    4  -0.057765   0.213255   0.141757
+    1SOL     H5    5  -0.060688   0.308633   0.134214
+    1SOL     H6    6   0.010794   0.196383   0.206389
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/075/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005444  -0.080663   0.051246
+    0SOL     H3    3   0.021665   0.067726   0.064079
+    1SOL     O4    4   0.281851  -0.000559  -0.048600
+    1SOL     H5    5   0.289742  -0.078383   0.006569
+    1SOL     H6    6   0.187630   0.010167  -0.061630
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046372   0.025192  -0.079858
+    0SOL     H3    3  -0.045749   0.046551   0.070017
+    1SOL     O4    4  -0.052306  -0.289616   0.019281
+    1SOL     H5    5  -0.027235  -0.197238   0.018835
+    1SOL     H6    6  -0.131784  -0.293170  -0.033944
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020195  -0.062960  -0.069214
+    0SOL     H3    3   0.087573  -0.024477   0.029903
+    1SOL     O4    4  -0.004761   0.268290   0.015300
+    1SOL     H5    5  -0.005498   0.178059  -0.016639
+    1SOL     H6    6  -0.012840   0.321769  -0.063675
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005693   0.094407   0.014741
+    0SOL     H3    3  -0.010819  -0.038560   0.086939
+    1SOL     O4    4   0.216048  -0.061511  -0.143615
+    1SOL     H5    5   0.153288  -0.050652  -0.072162
+    1SOL     H6    6   0.190764   0.004629  -0.208024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/079/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081989   0.011382   0.048068
+    0SOL     H3    3   0.000512  -0.091858  -0.026912
+    1SOL     O4    4   0.022970  -0.297168   0.017853
+    1SOL     H5    5   0.114992  -0.318323   0.033557
+    1SOL     H6    6  -0.017779  -0.301629   0.104351
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013456  -0.082163   0.047228
+    0SOL     H3    3  -0.091885  -0.002444  -0.026713
+    1SOL     O4    4   0.210765   0.011548  -0.168122
+    1SOL     H5    5   0.120282   0.000007  -0.139108
+    1SOL     H6    6   0.219540  -0.047097  -0.243262
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007599  -0.095388   0.002392
+    0SOL     H3    3  -0.075589   0.028821  -0.051167
+    1SOL     O4    4  -0.193588   0.048834  -0.161990
+    1SOL     H5    5  -0.283539   0.017153  -0.153773
+    1SOL     H6    6  -0.199236   0.121191  -0.224399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/082/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009602   0.093126  -0.019942
+    0SOL     H3    3  -0.077126  -0.004615   0.056503
+    1SOL     O4    4   0.021015  -0.221096  -0.169686
+    1SOL     H5    5   0.113336  -0.236392  -0.149556
+    1SOL     H6    6   0.002765  -0.134155  -0.134044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/083/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085966  -0.032377  -0.026905
+    0SOL     H3    3  -0.055804  -0.013584  -0.076575
+    1SOL     O4    4   0.213422  -0.082969  -0.150986
+    1SOL     H5    5   0.187979  -0.142245  -0.221706
+    1SOL     H6    6   0.213966   0.003790  -0.191419
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090421   0.019913   0.024288
+    0SOL     H3    3   0.049111   0.007894   0.081781
+    1SOL     O4    4   0.213017  -0.028547   0.177922
+    1SOL     H5    5   0.227549  -0.122689   0.187320
+    1SOL     H6    6   0.249317   0.009445   0.257930
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/085/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085673  -0.036011   0.022928
+    0SOL     H3    3  -0.050628  -0.005033   0.081079
+    1SOL     O4    4   0.270815  -0.049895   0.048415
+    1SOL     H5    5   0.322141  -0.080967   0.122997
+    1SOL     H6    6   0.293063  -0.109956  -0.022719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/086/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004677   0.063499  -0.071473
+    0SOL     H3    3  -0.074107   0.021932   0.056475
+    1SOL     O4    4  -0.003954   0.228323  -0.170876
+    1SOL     H5    5  -0.098624   0.233118  -0.184176
+    1SOL     H6    6   0.015362   0.299582  -0.109954
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/087/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008565   0.095236   0.004366
+    0SOL     H3    3  -0.071172  -0.020500   0.060635
+    1SOL     O4    4   0.335832   0.052802  -0.129987
+    1SOL     H5    5   0.350018  -0.034223  -0.092733
+    1SOL     H6    6   0.370456   0.113031  -0.064139
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092126  -0.025632  -0.004256
+    0SOL     H3    3  -0.022125  -0.005340   0.092975
+    1SOL     O4    4   0.065034  -0.372796   0.123540
+    1SOL     H5    5  -0.028961  -0.387833   0.113488
+    1SOL     H6    6   0.071728  -0.309898   0.195383
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008980   0.095275   0.002094
+    0SOL     H3    3  -0.059940  -0.028243  -0.069079
+    1SOL     O4    4  -0.322556   0.083206   0.154403
+    1SOL     H5    5  -0.318574  -0.004757   0.116867
+    1SOL     H6    6  -0.346528   0.139611   0.080876
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079175  -0.021189   0.049444
+    0SOL     H3    3   0.017613  -0.078483  -0.051890
+    1SOL     O4    4  -0.203299  -0.036164   0.194351
+    1SOL     H5    5  -0.297776  -0.025341   0.183434
+    1SOL     H6    6  -0.194245  -0.114167   0.249086
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034038  -0.024346   0.086087
+    0SOL     H3    3   0.095133  -0.004007   0.009798
+    1SOL     O4    4  -0.200100   0.017115   0.204632
+    1SOL     H5    5  -0.254558  -0.024646   0.137904
+    1SOL     H6    6  -0.204659   0.110542   0.184308
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094868   0.008759  -0.009252
+    0SOL     H3    3  -0.027137   0.079721   0.045502
+    1SOL     O4    4  -0.059133  -0.158624   0.198453
+    1SOL     H5    5  -0.040908  -0.250859   0.180484
+    1SOL     H6    6  -0.052595  -0.115798   0.113098
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047908  -0.016076   0.081294
+    0SOL     H3    3   0.091992  -0.011983   0.023585
+    1SOL     O4    4  -0.186727   0.008833   0.185898
+    1SOL     H5    5  -0.268107  -0.007349   0.138171
+    1SOL     H6    6  -0.191910  -0.048563   0.262326
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065811  -0.014448  -0.067989
+    0SOL     H3    3   0.004734   0.093809   0.018435
+    1SOL     O4    4   0.013844  -0.169691   0.216630
+    1SOL     H5    5   0.007814  -0.116816   0.137068
+    1SOL     H6    6   0.020635  -0.259812   0.185095
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027629   0.083564   0.037629
+    0SOL     H3    3   0.085559   0.018284  -0.038830
+    1SOL     O4    4  -0.233393  -0.036140  -0.174427
+    1SOL     H5    5  -0.207685  -0.128173  -0.180027
+    1SOL     H6    6  -0.174290   0.001357  -0.109135
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023578  -0.063998  -0.067161
+    0SOL     H3    3  -0.053773  -0.023615   0.075585
+    1SOL     O4    4  -0.009681   0.270574  -0.048297
+    1SOL     H5    5  -0.001444   0.176152  -0.061678
+    1SOL     H6    6  -0.083473   0.279927   0.011948
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095380  -0.005102  -0.006236
+    0SOL     H3    3   0.023014  -0.063223   0.068084
+    1SOL     O4    4   0.209696   0.071895  -0.152283
+    1SOL     H5    5   0.148902   0.026720  -0.093755
+    1SOL     H6    6   0.236311   0.005085  -0.215453
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/098/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006594   0.092409  -0.024073
+    0SOL     H3    3  -0.087931  -0.023391   0.029719
+    1SOL     O4    4   0.180516  -0.027776   0.197649
+    1SOL     H5    5   0.114839  -0.018691   0.128610
+    1SOL     H6    6   0.157286   0.039313   0.261849
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/099/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064729   0.004012  -0.070402
+    0SOL     H3    3   0.013627  -0.085761   0.040271
+    1SOL     O4    4  -0.079073  -0.284338  -0.127070
+    1SOL     H5    5  -0.144213  -0.255933  -0.062943
+    1SOL     H6    6  -0.088648  -0.222893  -0.199837
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/100/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070699   0.026134   0.059000
+    0SOL     H3    3   0.080192   0.020632   0.048020
+    1SOL     O4    4  -0.004516   0.212928  -0.156058
+    1SOL     H5    5  -0.020497   0.125125  -0.121450
+    1SOL     H6    6   0.008503   0.267335  -0.078387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/101/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093134  -0.006682  -0.021067
+    0SOL     H3    3  -0.004367   0.066605   0.068608
+    1SOL     O4    4  -0.136177   0.063524  -0.228469
+    1SOL     H5    5  -0.139704   0.155374  -0.255181
+    1SOL     H6    6  -0.067834   0.060611  -0.161513
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/102/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094824   0.011729   0.005752
+    0SOL     H3    3  -0.020687  -0.062628   0.069369
+    1SOL     O4    4   0.255922   0.037230   0.031452
+    1SOL     H5    5   0.279998   0.122726   0.067134
+    1SOL     H6    6   0.328446   0.014167  -0.026604
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/103/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031096   0.050073  -0.075419
+    0SOL     H3    3   0.070209   0.007809   0.064592
+    1SOL     O4    4  -0.007687  -0.278885   0.009279
+    1SOL     H5    5   0.001263  -0.184122  -0.000833
+    1SOL     H6    6  -0.078853  -0.289672   0.072376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/104/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022868   0.092521   0.008905
+    0SOL     H3    3   0.002212  -0.033986   0.089456
+    1SOL     O4    4  -0.199187  -0.057362  -0.180710
+    1SOL     H5    5  -0.208888  -0.013899  -0.265441
+    1SOL     H6    6  -0.122125  -0.016389  -0.141404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/105/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070882  -0.036825  -0.052744
+    0SOL     H3    3   0.016671   0.094257   0.000149
+    1SOL     O4    4  -0.056791  -0.387469  -0.029362
+    1SOL     H5    5   0.031774  -0.393639  -0.065147
+    1SOL     H6    6  -0.113779  -0.387124  -0.106268
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/106/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091436   0.012710  -0.025304
+    0SOL     H3    3   0.050229   0.029064  -0.076122
+    1SOL     O4    4  -0.318673   0.202216   0.092312
+    1SOL     H5    5  -0.324091   0.267883   0.022881
+    1SOL     H6    6  -0.408215   0.194728   0.125303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/107/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019128   0.087758  -0.033089
+    0SOL     H3    3  -0.079258  -0.025683   0.047126
+    1SOL     O4    4   0.061565  -0.195718  -0.179256
+    1SOL     H5    5   0.155276  -0.195026  -0.198751
+    1SOL     H6    6   0.048327  -0.119881  -0.122371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/108/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023695  -0.090758   0.019075
+    0SOL     H3    3  -0.041730   0.050824   0.069555
+    1SOL     O4    4  -0.040488   0.172855   0.230698
+    1SOL     H5    5  -0.133104   0.158196   0.249928
+    1SOL     H6    6   0.005353   0.142946   0.309224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/109/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084339  -0.030418  -0.033525
+    0SOL     H3    3  -0.011448  -0.047157   0.082508
+    1SOL     O4    4  -0.285848   0.083967   0.115426
+    1SOL     H5    5  -0.210369   0.116751   0.164318
+    1SOL     H6    6  -0.291470   0.141086   0.038822
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/110/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093567  -0.012958  -0.015477
+    0SOL     H3    3  -0.042266  -0.033424  -0.079113
+    1SOL     O4    4  -0.189341  -0.066294  -0.165387
+    1SOL     H5    5  -0.195198  -0.154161  -0.202902
+    1SOL     H6    6  -0.230533  -0.009575  -0.230567
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/111/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020015  -0.076923  -0.053335
+    0SOL     H3    3   0.002824   0.072455  -0.062487
+    1SOL     O4    4   0.147220   0.018631   0.195413
+    1SOL     H5    5   0.091350  -0.029698   0.256283
+    1SOL     H6    6   0.106699   0.005117   0.109752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/112/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094441   0.006850  -0.014013
+    0SOL     H3    3   0.010004  -0.073390   0.060631
+    1SOL     O4    4  -0.268404  -0.004648  -0.020502
+    1SOL     H5    5  -0.328107   0.010225  -0.093829
+    1SOL     H6    6  -0.297158   0.057088   0.046759
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/113/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093948   0.011266   0.014462
+    0SOL     H3    3   0.023162   0.069023  -0.062142
+    1SOL     O4    4   0.078695  -0.156165  -0.192984
+    1SOL     H5    5   0.011699  -0.141080  -0.259664
+    1SOL     H6    6   0.040277  -0.122058  -0.112218
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/114/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014833  -0.093857   0.011543
+    0SOL     H3    3   0.074030   0.005342  -0.060443
+    1SOL     O4    4   0.333841  -0.052691   0.145334
+    1SOL     H5    5   0.338777   0.042745   0.139851
+    1SOL     H6    6   0.263159  -0.069525   0.207647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/115/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033701   0.068537   0.057700
+    0SOL     H3    3  -0.061154  -0.001609  -0.073620
+    1SOL     O4    4  -0.039871  -0.204376   0.163928
+    1SOL     H5    5  -0.036359  -0.122619   0.114272
+    1SOL     H6    6  -0.108146  -0.189770   0.229408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/116/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031134   0.088612   0.018466
+    0SOL     H3    3   0.060819  -0.033569  -0.065852
+    1SOL     O4    4   0.031167   0.254509   0.074369
+    1SOL     H5    5   0.051175   0.300940   0.155647
+    1SOL     H6    6   0.111893   0.259805   0.023208
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/117/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034708  -0.056659  -0.068901
+    0SOL     H3    3   0.060016  -0.012158   0.073570
+    1SOL     O4    4   0.196746  -0.025439   0.188894
+    1SOL     H5    5   0.202908   0.064583   0.220838
+    1SOL     H6    6   0.194993  -0.078984   0.268217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/118/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049933   0.048044   0.066036
+    0SOL     H3    3  -0.022446   0.042580  -0.082737
+    1SOL     O4    4  -0.050493   0.204176  -0.192525
+    1SOL     H5    5  -0.140855   0.229205  -0.211774
+    1SOL     H6    6  -0.003306   0.219850  -0.274317
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/119/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026945   0.091133  -0.011449
+    0SOL     H3    3   0.066295  -0.050696  -0.046874
+    1SOL     O4    4  -0.182467  -0.047195  -0.210029
+    1SOL     H5    5  -0.172519   0.008144  -0.287494
+    1SOL     H6    6  -0.116442  -0.014808  -0.148759
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/120/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043223   0.044133  -0.073119
+    0SOL     H3    3  -0.093426   0.006865  -0.019666
+    1SOL     O4    4   0.196714   0.086688  -0.183484
+    1SOL     H5    5   0.199684   0.179949  -0.204839
+    1SOL     H6    6   0.277545   0.070633  -0.134791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/121/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016523  -0.087566  -0.034950
+    0SOL     H3    3   0.026876   0.051521  -0.076063
+    1SOL     O4    4  -0.089536  -0.165022   0.315340
+    1SOL     H5    5  -0.126718  -0.083622   0.281373
+    1SOL     H6    6  -0.123202  -0.232987   0.256947
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/122/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072272   0.004124  -0.062626
+    0SOL     H3    3  -0.022480   0.064683   0.066881
+    1SOL     O4    4  -0.002599  -0.265630   0.029976
+    1SOL     H5    5   0.079911  -0.296102  -0.007784
+    1SOL     H6    6   0.010274  -0.171697   0.043137
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/123/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094851  -0.004888  -0.011905
+    0SOL     H3    3   0.017492   0.092827   0.015479
+    1SOL     O4    4  -0.275012   0.042855  -0.025524
+    1SOL     H5    5  -0.279504   0.127059   0.019773
+    1SOL     H6    6  -0.318997   0.058210  -0.109142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/124/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019318   0.069643   0.062762
+    0SOL     H3    3   0.094449  -0.013592   0.007552
+    1SOL     O4    4  -0.212460  -0.074409  -0.151174
+    1SOL     H5    5  -0.140997  -0.038037  -0.098901
+    1SOL     H6    6  -0.229234  -0.008212  -0.218248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/125/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001093  -0.085066  -0.043874
+    0SOL     H3    3  -0.071255  -0.004947   0.063723
+    1SOL     O4    4   0.100024  -0.328064   0.080209
+    1SOL     H5    5   0.171900  -0.303470   0.021975
+    1SOL     H6    6   0.117725  -0.280725   0.161498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/126/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033154  -0.089050   0.011544
+    0SOL     H3    3   0.014906   0.042307   0.084559
+    1SOL     O4    4   0.182270   0.047002  -0.200583
+    1SOL     H5    5   0.155953  -0.014644  -0.268917
+    1SOL     H6    6   0.114978   0.038171  -0.133084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/127/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094890  -0.011943  -0.003958
+    0SOL     H3    3   0.012521   0.072609   0.061103
+    1SOL     O4    4   0.200292   0.100903  -0.175820
+    1SOL     H5    5   0.203737   0.196170  -0.167180
+    1SOL     H6    6   0.111238   0.077628  -0.149555
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/128/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020736  -0.083807   0.041337
+    0SOL     H3    3   0.003908   0.063606   0.071424
+    1SOL     O4    4   0.213442   0.002606  -0.173867
+    1SOL     H5    5   0.143195  -0.002441  -0.109042
+    1SOL     H6    6   0.293998  -0.001130  -0.122301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/129/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094970   0.008886  -0.008004
+    0SOL     H3    3   0.012608  -0.083983   0.044161
+    1SOL     O4    4  -0.263721  -0.011739   0.045895
+    1SOL     H5    5  -0.323911   0.000651  -0.027494
+    1SOL     H6    6  -0.299477   0.043044   0.115771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/130/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092113  -0.012435  -0.022866
+    0SOL     H3    3  -0.001357   0.081037   0.050927
+    1SOL     O4    4  -0.024924   0.202091   0.169755
+    1SOL     H5    5  -0.103197   0.179997   0.220228
+    1SOL     H6    6   0.045806   0.202810   0.234245
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028904  -0.055183  -0.072675
+    0SOL     H3    3  -0.060474  -0.020580   0.071286
+    1SOL     O4    4  -0.180054  -0.053753   0.183030
+    1SOL     H5    5  -0.178612  -0.011429   0.268872
+    1SOL     H6    6  -0.259220  -0.020130   0.141022
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092404  -0.002182   0.024879
+    0SOL     H3    3  -0.047332  -0.010281   0.082561
+    1SOL     O4    4   0.284325  -0.013592   0.014065
+    1SOL     H5    5   0.311103  -0.079992  -0.049467
+    1SOL     H6    6   0.287938   0.068858  -0.034426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/133/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006891  -0.095030  -0.009170
+    0SOL     H3    3   0.013983   0.033726  -0.088484
+    1SOL     O4    4  -0.226760   0.042402   0.156015
+    1SOL     H5    5  -0.164109   0.046417   0.083758
+    1SOL     H6    6  -0.184005  -0.012390   0.221834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/134/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036581  -0.079766   0.038229
+    0SOL     H3    3  -0.094792  -0.011367   0.006899
+    1SOL     O4    4   0.177495   0.062944  -0.193271
+    1SOL     H5    5   0.095924   0.048194  -0.145407
+    1SOL     H6    6   0.173495   0.001900  -0.266892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/135/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031229  -0.086208   0.027481
+    0SOL     H3    3  -0.050350   0.019708  -0.078986
+    1SOL     O4    4  -0.193411   0.044974  -0.182054
+    1SOL     H5    5  -0.190356   0.138902  -0.200235
+    1SOL     H6    6  -0.180246   0.003579  -0.267350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/136/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093951   0.000810  -0.018302
+    0SOL     H3    3  -0.041157   0.015112  -0.085089
+    1SOL     O4    4   0.041449  -0.257577   0.029898
+    1SOL     H5    5   0.001396  -0.170651   0.031278
+    1SOL     H6    6  -0.030822  -0.317596   0.048253
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/137/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022680   0.092564  -0.008937
+    0SOL     H3    3  -0.009401  -0.035650  -0.088335
+    1SOL     O4    4  -0.216680  -0.077593   0.148555
+    1SOL     H5    5  -0.193387  -0.158862   0.193444
+    1SOL     H6    6  -0.140983  -0.058158   0.093286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/138/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021474  -0.073261   0.057740
+    0SOL     H3    3  -0.094954  -0.005106  -0.010949
+    1SOL     O4    4   0.231300   0.068338  -0.146315
+    1SOL     H5    5   0.143619   0.040472  -0.119898
+    1SOL     H6    6   0.257789   0.004576  -0.212611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/139/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084013  -0.010555  -0.044640
+    0SOL     H3    3   0.013905   0.072964   0.060376
+    1SOL     O4    4  -0.187557  -0.059116  -0.181521
+    1SOL     H5    5  -0.124988  -0.027877  -0.116165
+    1SOL     H6    6  -0.184242   0.006449  -0.251182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/140/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062674  -0.028661   0.066429
+    0SOL     H3    3  -0.027244  -0.045270  -0.079817
+    1SOL     O4    4   0.034682  -0.359138  -0.075474
+    1SOL     H5    5  -0.004787  -0.445219  -0.061525
+    1SOL     H6    6   0.086612  -0.343482   0.003396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/141/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017291  -0.030887  -0.088934
+    0SOL     H3    3   0.094566  -0.010016   0.010923
+    1SOL     O4    4  -0.186133  -0.043769   0.204081
+    1SOL     H5    5  -0.173109   0.011588   0.281077
+    1SOL     H6    6  -0.119808  -0.014160   0.141739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/142/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090340   0.026481  -0.017311
+    0SOL     H3    3   0.045827   0.015611  -0.082574
+    1SOL     O4    4  -0.053649   0.377711  -0.152824
+    1SOL     H5    5   0.041652   0.368810  -0.153751
+    1SOL     H6    6  -0.073332   0.432924  -0.228497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/143/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079949   0.009398  -0.051789
+    0SOL     H3    3   0.070962   0.014895  -0.062489
+    1SOL     O4    4   0.320255  -0.046400   0.108115
+    1SOL     H5    5   0.316819   0.042663   0.073211
+    1SOL     H6    6   0.318990  -0.102603   0.030642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/144/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093352  -0.012952  -0.016735
+    0SOL     H3    3   0.012658  -0.030121   0.089971
+    1SOL     O4    4   0.058116   0.201973  -0.174486
+    1SOL     H5    5   0.068369   0.137157  -0.104801
+    1SOL     H6    6  -0.003515   0.161816  -0.235734
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/145/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034464  -0.089299   0.000446
+    0SOL     H3    3   0.054410   0.046406  -0.063627
+    1SOL     O4    4   0.199707   0.118995  -0.154027
+    1SOL     H5    5   0.192130   0.214165  -0.147127
+    1SOL     H6    6   0.267710   0.095689  -0.090823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/146/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080702  -0.029938  -0.041872
+    0SOL     H3    3  -0.011908  -0.059220   0.074253
+    1SOL     O4    4   0.220766  -0.033498  -0.192421
+    1SOL     H5    5   0.316306  -0.037544  -0.188172
+    1SOL     H6    6   0.202133   0.050747  -0.233870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/147/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086735   0.023026  -0.033304
+    0SOL     H3    3  -0.055344  -0.004097  -0.077991
+    1SOL     O4    4   0.267102   0.065105   0.032166
+    1SOL     H5    5   0.298754   0.147026   0.070239
+    1SOL     H6    6   0.279034   0.000222   0.101521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/148/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079954  -0.027598   0.044810
+    0SOL     H3    3   0.015179  -0.067742  -0.065901
+    1SOL     O4    4  -0.273430   0.019858  -0.127743
+    1SOL     H5    5  -0.343842   0.075052  -0.161773
+    1SOL     H6    6  -0.232705   0.072573  -0.059005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/149/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060633  -0.009859  -0.073408
+    0SOL     H3    3   0.036987  -0.054818   0.069205
+    1SOL     O4    4   0.052721  -0.165888   0.193443
+    1SOL     H5    5   0.144971  -0.153277   0.215651
+    1SOL     H6    6   0.005192  -0.138504   0.271887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/150/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006507  -0.095493   0.001042
+    0SOL     H3    3  -0.072933   0.028424  -0.055093
+    1SOL     O4    4   0.023117   0.186140   0.210736
+    1SOL     H5    5   0.013421   0.093703   0.187852
+    1SOL     H6    6  -0.004481   0.233336   0.132166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/151/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055892  -0.052911  -0.056910
+    0SOL     H3    3   0.003282  -0.044309   0.084783
+    1SOL     O4    4   0.036403   0.269167  -0.036050
+    1SOL     H5    5   0.130003   0.278483  -0.053785
+    1SOL     H6    6   0.022266   0.174643  -0.030789
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/152/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049712   0.017034  -0.080005
+    0SOL     H3    3  -0.042226   0.054351   0.066522
+    1SOL     O4    4   0.134748   0.126137  -0.348431
+    1SOL     H5    5   0.073238   0.162309  -0.412231
+    1SOL     H6    6   0.220056   0.131768  -0.391480
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/153/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001589   0.092751  -0.023601
+    0SOL     H3    3  -0.080946  -0.010667   0.049964
+    1SOL     O4    4   0.202100  -0.026122   0.170765
+    1SOL     H5    5   0.180215  -0.118878   0.179683
+    1SOL     H6    6   0.134106   0.009168   0.113374
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/154/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019676   0.081602  -0.046002
+    0SOL     H3    3  -0.060435  -0.000881   0.074223
+    1SOL     O4    4  -0.026000  -0.204731  -0.166340
+    1SOL     H5    5  -0.115674  -0.199472  -0.199403
+    1SOL     H6    6  -0.019679  -0.133527  -0.102681
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/155/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079006  -0.012836  -0.052494
+    0SOL     H3    3   0.008701  -0.062353   0.072102
+    1SOL     O4    4  -0.003707  -0.206728   0.189581
+    1SOL     H5    5   0.024341  -0.270424   0.123865
+    1SOL     H6    6  -0.097127  -0.223945   0.201353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/156/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090919  -0.017296  -0.024430
+    0SOL     H3    3   0.006006   0.063204   0.071634
+    1SOL     O4    4   0.107050  -0.313224  -0.152923
+    1SOL     H5    5   0.170374  -0.303645  -0.081785
+    1SOL     H6    6   0.119586  -0.235164  -0.206884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/157/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014717  -0.027639   0.090453
+    0SOL     H3    3  -0.002120  -0.081245  -0.050567
+    1SOL     O4    4  -0.287011   0.034111  -0.073894
+    1SOL     H5    5  -0.200240   0.020555  -0.035821
+    1SOL     H6    6  -0.347373   0.023831  -0.000320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/158/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094499  -0.008044   0.012943
+    0SOL     H3    3  -0.018473  -0.054512  -0.076482
+    1SOL     O4    4  -0.048793  -0.180387  -0.209156
+    1SOL     H5    5  -0.046785  -0.275936  -0.214508
+    1SOL     H6    6  -0.003037  -0.150972  -0.287918
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/159/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089493   0.008973   0.032754
+    0SOL     H3    3  -0.055053   0.009220   0.077760
+    1SOL     O4    4   0.013742  -0.309184   0.147618
+    1SOL     H5    5  -0.081865  -0.305849   0.144388
+    1SOL     H6    6   0.037876  -0.243176   0.212602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/160/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039329   0.074894  -0.044793
+    0SOL     H3    3   0.067772  -0.030047   0.060551
+    1SOL     O4    4   0.095722   0.194980  -0.138679
+    1SOL     H5    5   0.076755   0.288787  -0.136977
+    1SOL     H6    6   0.174770   0.187444  -0.192129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/161/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.029415   0.056207  -0.071679
+    0SOL     H3    3  -0.003661  -0.088636  -0.035953
+    1SOL     O4    4   0.281012   0.036930  -0.009358
+    1SOL     H5    5   0.338765   0.055656   0.064644
+    1SOL     H6    6   0.192732   0.041353   0.027377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/162/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094434  -0.003930   0.015137
+    0SOL     H3    3  -0.016898  -0.068925  -0.064235
+    1SOL     O4    4   0.127590   0.129456  -0.328581
+    1SOL     H5    5   0.163830   0.040924  -0.325268
+    1SOL     H6    6   0.174326   0.177102  -0.259967
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/163/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024983  -0.090930  -0.016430
+    0SOL     H3    3  -0.028425   0.047214  -0.078263
+    1SOL     O4    4  -0.198135   0.048034   0.195327
+    1SOL     H5    5  -0.181656   0.139952   0.216344
+    1SOL     H6    6  -0.120945   0.020514   0.145862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/164/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010545   0.093110   0.019533
+    0SOL     H3    3  -0.094688  -0.012707  -0.005914
+    1SOL     O4    4  -0.278447  -0.048367  -0.041139
+    1SOL     H5    5  -0.296724  -0.138010  -0.012989
+    1SOL     H6    6  -0.348544  -0.027881  -0.103018
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/165/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055372  -0.022551  -0.074751
+    0SOL     H3    3  -0.012567  -0.082777   0.046394
+    1SOL     O4    4  -0.023614   0.289657   0.001340
+    1SOL     H5    5  -0.044995   0.198590   0.021636
+    1SOL     H6    6  -0.038608   0.336681   0.083354
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066053  -0.010449  -0.068485
+    0SOL     H3    3  -0.006814  -0.079878   0.052302
+    1SOL     O4    4  -0.198375  -0.069484  -0.177893
+    1SOL     H5    5  -0.169428  -0.160300  -0.186659
+    1SOL     H6    6  -0.272801  -0.073707  -0.117850
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002510   0.090924   0.029815
+    0SOL     H3    3  -0.084086  -0.008188  -0.044997
+    1SOL     O4    4   0.371985   0.040764  -0.002476
+    1SOL     H5    5   0.330897   0.027236  -0.087864
+    1SOL     H6    6   0.341950  -0.033035   0.050571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/168/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008264  -0.095115  -0.006873
+    0SOL     H3    3  -0.090659   0.014311   0.027175
+    1SOL     O4    4   0.186269   0.101591   0.185105
+    1SOL     H5    5   0.173573   0.196288   0.179313
+    1SOL     H6    6   0.117683   0.064732   0.129429
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095286   0.008777  -0.002431
+    0SOL     H3    3  -0.015899  -0.072318   0.060660
+    1SOL     O4    4   0.005502   0.191937   0.196470
+    1SOL     H5    5  -0.014746   0.281843   0.170601
+    1SOL     H6    6  -0.011110   0.140008   0.117795
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/170/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022771   0.092625   0.008025
+    0SOL     H3    3   0.026301  -0.038509   0.083592
+    1SOL     O4    4  -0.286035  -0.012019  -0.018587
+    1SOL     H5    5  -0.190781  -0.019018  -0.024929
+    1SOL     H6    6  -0.317673  -0.035305  -0.105874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/171/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001635   0.095339   0.008372
+    0SOL     H3    3   0.022415  -0.032147   0.087330
+    1SOL     O4    4  -0.281123   0.015262   0.007345
+    1SOL     H5    5  -0.342586  -0.013881  -0.059999
+    1SOL     H6    6  -0.194709   0.001508  -0.031460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/172/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013573  -0.089302   0.031673
+    0SOL     H3    3   0.024307   0.055658   0.073984
+    1SOL     O4    4  -0.213888   0.053540  -0.194435
+    1SOL     H5    5  -0.199397  -0.006477  -0.267580
+    1SOL     H6    6  -0.137985   0.040786  -0.137528
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/173/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045838   0.059850  -0.058984
+    0SOL     H3    3   0.056269  -0.005345   0.077249
+    1SOL     O4    4  -0.278717   0.016913  -0.005252
+    1SOL     H5    5  -0.268900   0.090906  -0.065176
+    1SOL     H6    6  -0.197555   0.016192   0.045488
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/174/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094288   0.006530  -0.015147
+    0SOL     H3    3   0.007987  -0.053908   0.078692
+    1SOL     O4    4   0.157182  -0.036147  -0.235593
+    1SOL     H5    5   0.091845  -0.016091  -0.168576
+    1SOL     H6    6   0.143685   0.030489  -0.302971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/175/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086935   0.015292   0.037025
+    0SOL     H3    3  -0.060540   0.024625   0.069934
+    1SOL     O4    4   0.119104  -0.135111  -0.290933
+    1SOL     H5    5   0.031039  -0.100852  -0.275662
+    1SOL     H6    6   0.167271  -0.114000  -0.210953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/176/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074294  -0.036192   0.048299
+    0SOL     H3    3  -0.007581   0.094695   0.011735
+    1SOL     O4    4   0.083951  -0.194985  -0.175670
+    1SOL     H5    5   0.070487  -0.118827  -0.119269
+    1SOL     H6    6   0.178143  -0.211522  -0.171583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/177/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013560   0.094665   0.004116
+    0SOL     H3    3  -0.080526  -0.014886   0.049560
+    1SOL     O4    4  -0.231046  -0.001980   0.162989
+    1SOL     H5    5  -0.322907  -0.023641   0.178950
+    1SOL     H6    6  -0.206809   0.055044   0.235949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/178/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024878  -0.059167   0.071012
+    0SOL     H3    3  -0.047103   0.081182   0.018790
+    1SOL     O4    4  -0.073393  -0.171958   0.208951
+    1SOL     H5    5  -0.161112  -0.143079   0.234124
+    1SOL     H6    6  -0.086491  -0.259467   0.172443
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/179/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006123   0.090304   0.031146
+    0SOL     H3    3  -0.012824  -0.053358   0.078427
+    1SOL     O4    4   0.192762  -0.049490  -0.192989
+    1SOL     H5    5   0.272454  -0.024211  -0.146379
+    1SOL     H6    6   0.124843  -0.050600  -0.125549
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/180/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076139   0.023800   0.052903
+    0SOL     H3    3  -0.008773   0.071544  -0.062982
+    1SOL     O4    4  -0.064295   0.208657  -0.154921
+    1SOL     H5    5  -0.157765   0.212545  -0.175183
+    1SOL     H6    6  -0.049816   0.281376  -0.094385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/181/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026412  -0.059638  -0.070058
+    0SOL     H3    3  -0.070344  -0.006234   0.064616
+    1SOL     O4    4  -0.015352  -0.157432  -0.215903
+    1SOL     H5    5   0.076657  -0.141090  -0.236630
+    1SOL     H6    6  -0.018306  -0.249816  -0.191029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/182/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015432   0.063401   0.070032
+    0SOL     H3    3  -0.017983  -0.082219   0.045595
+    1SOL     O4    4   0.037997   0.149766   0.209500
+    1SOL     H5    5   0.011067   0.232536   0.169672
+    1SOL     H6    6   0.133298   0.148745   0.200616
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/183/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081626  -0.010783  -0.048819
+    0SOL     H3    3  -0.068633  -0.005429  -0.066501
+    1SOL     O4    4  -0.299017   0.064775   0.113500
+    1SOL     H5    5  -0.270191  -0.025439   0.099614
+    1SOL     H6    6  -0.378425   0.056732   0.166340
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/184/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083724  -0.037248   0.027663
+    0SOL     H3    3   0.060225  -0.020603   0.071490
+    1SOL     O4    4  -0.285627  -0.063413   0.021194
+    1SOL     H5    5  -0.291323   0.031470   0.009925
+    1SOL     H6    6  -0.308603  -0.099188  -0.064565
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/185/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024910  -0.079680   0.046829
+    0SOL     H3    3  -0.027718   0.071305   0.057529
+    1SOL     O4    4  -0.054801   0.196719   0.185995
+    1SOL     H5    5  -0.140867   0.163161   0.211072
+    1SOL     H6    6   0.001783   0.175526   0.260233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/186/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036505   0.087179  -0.015151
+    0SOL     H3    3   0.094467   0.014242   0.005960
+    1SOL     O4    4  -0.186327  -0.082495   0.182084
+    1SOL     H5    5  -0.207927  -0.175742   0.181253
+    1SOL     H6    6  -0.124202  -0.071610   0.110082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/187/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060248  -0.031450  -0.067405
+    0SOL     H3    3  -0.000242  -0.069188   0.066146
+    1SOL     O4    4   0.012482  -0.195483   0.197421
+    1SOL     H5    5   0.105492  -0.207998   0.216260
+    1SOL     H6    6  -0.027414  -0.179650   0.282978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/188/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092383   0.018823   0.016535
+    0SOL     H3    3   0.021708   0.052298  -0.077175
+    1SOL     O4    4  -0.282757  -0.051231   0.024361
+    1SOL     H5    5  -0.348049  -0.052068   0.094351
+    1SOL     H6    6  -0.312624   0.017227  -0.035504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/189/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007178  -0.091819   0.026077
+    0SOL     H3    3   0.004927   0.048095   0.082613
+    1SOL     O4    4  -0.019045  -0.267757  -0.050062
+    1SOL     H5    5  -0.097700  -0.267218  -0.104609
+    1SOL     H6    6   0.049042  -0.304395  -0.106490
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/190/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057773  -0.033279  -0.068681
+    0SOL     H3    3  -0.003903   0.094366  -0.015561
+    1SOL     O4    4  -0.086116  -0.199461   0.153231
+    1SOL     H5    5  -0.179521  -0.189390   0.171575
+    1SOL     H6    6  -0.057654  -0.112484   0.125175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/191/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021982   0.081067   0.045905
+    0SOL     H3    3  -0.024038  -0.069530   0.061237
+    1SOL     O4    4  -0.045175   0.224173   0.178947
+    1SOL     H5    5  -0.041035   0.316510   0.154067
+    1SOL     H6    6  -0.132999   0.213043   0.215353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/192/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019774   0.074640  -0.056570
+    0SOL     H3    3   0.061734   0.007980   0.072716
+    1SOL     O4    4  -0.135832  -0.114504   0.283602
+    1SOL     H5    5  -0.222125  -0.151941   0.301335
+    1SOL     H6    6  -0.097482  -0.172644   0.217941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/193/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089812  -0.003532   0.032918
+    0SOL     H3    3  -0.054522  -0.013286   0.077545
+    1SOL     O4    4  -0.192578   0.011921   0.175300
+    1SOL     H5    5  -0.211050  -0.047133   0.248332
+    1SOL     H6    6  -0.263450  -0.004079   0.112982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/194/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015467   0.059118   0.073676
+    0SOL     H3    3  -0.074357   0.038450  -0.046421
+    1SOL     O4    4   0.155320   0.024487  -0.220967
+    1SOL     H5    5   0.122765  -0.054360  -0.264392
+    1SOL     H6    6   0.125032   0.016322  -0.130534
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/195/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033050  -0.089280   0.009958
+    0SOL     H3    3   0.051167   0.051618   0.062288
+    1SOL     O4    4   0.101662   0.199364   0.144490
+    1SOL     H5    5   0.042539   0.216955   0.217684
+    1SOL     H6    6   0.080590   0.266774   0.079883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/196/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063722   0.022405   0.067822
+    0SOL     H3    3   0.084912   0.006824   0.043654
+    1SOL     O4    4  -0.100931   0.207090  -0.150602
+    1SOL     H5    5  -0.192252   0.178516  -0.148093
+    1SOL     H6    6  -0.051854   0.133920  -0.113186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/197/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079063  -0.019970   0.050126
+    0SOL     H3    3   0.071096  -0.039230   0.050682
+    1SOL     O4    4  -0.281435   0.028598  -0.001065
+    1SOL     H5    5  -0.273312   0.121848  -0.021083
+    1SOL     H6    6  -0.284861  -0.014113  -0.086659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/198/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020014  -0.088708   0.029878
+    0SOL     H3    3  -0.067386   0.019128  -0.065235
+    1SOL     O4    4  -0.175610   0.079866  -0.211949
+    1SOL     H5    5  -0.254208   0.059768  -0.161148
+    1SOL     H6    6  -0.160114   0.001242  -0.264299
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/199/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093173  -0.012690  -0.017891
+    0SOL     H3    3  -0.024539   0.075748  -0.053126
+    1SOL     O4    4  -0.051794  -0.215585  -0.165371
+    1SOL     H5    5  -0.054662  -0.148349  -0.097302
+    1SOL     H6    6  -0.093249  -0.174636  -0.241312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/200/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000089  -0.088874   0.035548
+    0SOL     H3    3  -0.002412   0.056682   0.077095
+    1SOL     O4    4  -0.056372   0.181007   0.218802
+    1SOL     H5    5  -0.129955   0.128732   0.250665
+    1SOL     H6    6   0.017469   0.154409   0.273596
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/201/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056150  -0.035280  -0.069027
+    0SOL     H3    3   0.029931  -0.043480   0.079849
+    1SOL     O4    4   0.075767  -0.142877   0.214873
+    1SOL     H5    5   0.166579  -0.127337   0.240833
+    1SOL     H6    6   0.024369  -0.119428   0.292144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/202/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066268   0.002357  -0.069031
+    0SOL     H3    3   0.032677  -0.064779   0.062436
+    1SOL     O4    4  -0.271032   0.035443  -0.062359
+    1SOL     H5    5  -0.181893   0.013282  -0.089295
+    1SOL     H6    6  -0.320546   0.039395  -0.144182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/203/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028350  -0.048754  -0.077341
+    0SOL     H3    3  -0.003436  -0.063862   0.071219
+    1SOL     O4    4  -0.028325   0.231888   0.171882
+    1SOL     H5    5  -0.115221   0.235294   0.211880
+    1SOL     H6    6  -0.037193   0.168658   0.100569
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/204/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021369  -0.090108   0.024211
+    0SOL     H3    3   0.052554   0.053853   0.059163
+    1SOL     O4    4   0.288271  -0.008813  -0.061839
+    1SOL     H5    5   0.262580   0.065286  -0.006961
+    1SOL     H6    6   0.229149  -0.004646  -0.137002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/205/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082684   0.024427  -0.041582
+    0SOL     H3    3  -0.064403   0.003565  -0.070724
+    1SOL     O4    4  -0.388819   0.022177  -0.045455
+    1SOL     H5    5  -0.357321  -0.051745   0.006561
+    1SOL     H6    6  -0.372677   0.098834   0.009548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/206/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072041  -0.011250  -0.062015
+    0SOL     H3    3  -0.015390   0.094453   0.002030
+    1SOL     O4    4  -0.018774  -0.181238   0.211782
+    1SOL     H5    5   0.021262  -0.108636   0.163944
+    1SOL     H6    6   0.048197  -0.208475   0.274514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/207/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089506  -0.031159   0.013419
+    0SOL     H3    3   0.014690   0.062209   0.071250
+    1SOL     O4    4   0.104255   0.172294   0.177891
+    1SOL     H5    5   0.097894   0.260570   0.141432
+    1SOL     H6    6   0.045595   0.173282   0.253524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/208/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092784  -0.015539  -0.017662
+    0SOL     H3    3  -0.003585   0.090182   0.031885
+    1SOL     O4    4  -0.066912  -0.194718   0.175705
+    1SOL     H5    5  -0.069421  -0.122038   0.113467
+    1SOL     H6    6   0.013049  -0.180244   0.226292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/209/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064551   0.036815   0.060333
+    0SOL     H3    3  -0.006178   0.064259  -0.070675
+    1SOL     O4    4   0.120184  -0.110759  -0.300516
+    1SOL     H5    5   0.137782  -0.201766  -0.324400
+    1SOL     H6    6   0.119063  -0.063840  -0.383941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/210/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093674   0.019456  -0.002988
+    0SOL     H3    3  -0.018876  -0.012914   0.092948
+    1SOL     O4    4  -0.186526  -0.030324  -0.184170
+    1SOL     H5    5  -0.105501  -0.008307  -0.138207
+    1SOL     H6    6  -0.192341  -0.125682  -0.178217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/211/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048858  -0.011115  -0.081558
+    0SOL     H3    3  -0.090164  -0.022693  -0.022755
+    1SOL     O4    4  -0.262674  -0.030668   0.008573
+    1SOL     H5    5  -0.339827  -0.008612  -0.043613
+    1SOL     H6    6  -0.262686  -0.126320   0.012184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/212/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093374   0.016114   0.013564
+    0SOL     H3    3  -0.003889  -0.087479  -0.038661
+    1SOL     O4    4  -0.180812   0.088236   0.187038
+    1SOL     H5    5  -0.114347   0.042819   0.135249
+    1SOL     H6    6  -0.185617   0.038610   0.268748
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/213/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083603   0.017626  -0.043153
+    0SOL     H3    3   0.066079   0.024755  -0.064676
+    1SOL     O4    4   0.132268  -0.115959   0.296755
+    1SOL     H5    5   0.179542  -0.076371   0.223541
+    1SOL     H6    6   0.042509  -0.125635   0.264942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/214/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006501   0.093425  -0.019792
+    0SOL     H3    3  -0.001198  -0.042807  -0.085606
+    1SOL     O4    4  -0.211456  -0.074107   0.168171
+    1SOL     H5    5  -0.193958  -0.014881   0.241304
+    1SOL     H6    6  -0.133324  -0.068100   0.113201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/215/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095535  -0.005809   0.001271
+    0SOL     H3    3   0.020012   0.048868  -0.079836
+    1SOL     O4    4   0.099031   0.202750  -0.150395
+    1SOL     H5    5   0.067288   0.253355  -0.075602
+    1SOL     H6    6   0.028508   0.208409  -0.214868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/216/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094743   0.011629   0.007136
+    0SOL     H3    3   0.034543   0.032987   0.082952
+    1SOL     O4    4   0.006727   0.329075  -0.023508
+    1SOL     H5    5   0.077542   0.303138   0.035439
+    1SOL     H6    6   0.024587   0.281735  -0.104763
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/217/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087562  -0.033343  -0.019583
+    0SOL     H3    3  -0.053874  -0.029456  -0.073432
+    1SOL     O4    4   0.100661  -0.146275  -0.249902
+    1SOL     H5    5   0.184951  -0.166583  -0.290462
+    1SOL     H6    6   0.084463  -0.219409  -0.190310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/218/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001234   0.072028   0.063029
+    0SOL     H3    3  -0.081113   0.012586  -0.049240
+    1SOL     O4    4   0.001533   0.171639   0.200323
+    1SOL     H5    5   0.009709   0.266995   0.198677
+    1SOL     H6    6  -0.074316   0.155018   0.256296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/219/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017751  -0.093269  -0.012171
+    0SOL     H3    3  -0.062727   0.003266   0.072229
+    1SOL     O4    4  -0.166556   0.026340   0.228515
+    1SOL     H5    5  -0.144485   0.112862   0.262999
+    1SOL     H6    6  -0.139945  -0.034481   0.297472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/220/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010754  -0.092406  -0.022537
+    0SOL     H3    3   0.066023   0.016103   0.067409
+    1SOL     O4    4   0.097313  -0.275167  -0.037160
+    1SOL     H5    5   0.186356  -0.305427  -0.054989
+    1SOL     H6    6   0.041351  -0.347910  -0.064346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/221/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056367  -0.002978   0.077306
+    0SOL     H3    3  -0.088620  -0.010952   0.034480
+    1SOL     O4    4   0.142130  -0.034988   0.206875
+    1SOL     H5    5   0.146462   0.044968   0.259320
+    1SOL     H6    6   0.224625  -0.036357   0.158346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/222/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091586  -0.024845   0.012533
+    0SOL     H3    3   0.037851  -0.002744   0.087875
+    1SOL     O4    4  -0.292846  -0.006891  -0.011457
+    1SOL     H5    5  -0.302740  -0.082617  -0.069163
+    1SOL     H6    6  -0.357422  -0.020893   0.057798
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/223/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019426  -0.092990   0.011741
+    0SOL     H3    3   0.093442   0.002583  -0.020596
+    1SOL     O4    4   0.255946   0.208657   0.180557
+    1SOL     H5    5   0.255802   0.300760   0.154492
+    1SOL     H6    6   0.224338   0.161804   0.103304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/224/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093025  -0.010148   0.020141
+    0SOL     H3    3  -0.003796   0.075796  -0.058334
+    1SOL     O4    4  -0.054005  -0.242263  -0.200542
+    1SOL     H5    5  -0.074124  -0.333187  -0.178397
+    1SOL     H6    6  -0.080932  -0.192271  -0.123483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/225/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031458  -0.075614   0.049550
+    0SOL     H3    3   0.072013   0.021492  -0.059284
+    1SOL     O4    4   0.081568  -0.200369   0.196582
+    1SOL     H5    5   0.109285  -0.287492   0.168236
+    1SOL     H6    6   0.160315  -0.161262   0.234423
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/226/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071649   0.016225   0.061364
+    0SOL     H3    3  -0.022529  -0.083132  -0.041759
+    1SOL     O4    4  -0.198354   0.085067   0.170263
+    1SOL     H5    5  -0.192864   0.180483   0.164984
+    1SOL     H6    6  -0.273873   0.062336   0.116017
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/227/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095569   0.003479   0.004093
+    0SOL     H3    3  -0.019484  -0.088378  -0.031177
+    1SOL     O4    4   0.278356  -0.012309  -0.028481
+    1SOL     H5    5   0.300536   0.030342  -0.111253
+    1SOL     H6    6   0.343484   0.020396   0.033576
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/228/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012039  -0.094960   0.000286
+    0SOL     H3    3  -0.079963   0.013901  -0.050745
+    1SOL     O4    4   0.024393  -0.260230   0.000658
+    1SOL     H5    5   0.090087  -0.293640  -0.060419
+    1SOL     H6    6   0.022993  -0.324265   0.071791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/229/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054671  -0.037255   0.069177
+    0SOL     H3    3  -0.025381  -0.047750  -0.078981
+    1SOL     O4    4   0.271802   0.025545   0.047527
+    1SOL     H5    5   0.179640   0.004940   0.031909
+    1SOL     H6    6   0.289909   0.099758  -0.010151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/230/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057770  -0.073605   0.020182
+    0SOL     H3    3   0.029639   0.070318   0.057786
+    1SOL     O4    4  -0.291978  -0.080587   0.158241
+    1SOL     H5    5  -0.288282   0.002086   0.110138
+    1SOL     H6    6  -0.367121  -0.070970   0.216750
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/231/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084308  -0.017346  -0.041875
+    0SOL     H3    3  -0.064919  -0.021145  -0.067087
+    1SOL     O4    4  -0.165677  -0.080446  -0.201971
+    1SOL     H5    5  -0.256354  -0.049827  -0.200395
+    1SOL     H6    6  -0.125114  -0.031658  -0.273641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/232/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091089  -0.026584  -0.012584
+    0SOL     H3    3   0.005635   0.086357   0.040903
+    1SOL     O4    4  -0.067828  -0.178841   0.196021
+    1SOL     H5    5  -0.049476  -0.118410   0.124094
+    1SOL     H6    6   0.000565  -0.160848   0.260526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/233/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093229   0.018368  -0.011545
+    0SOL     H3    3  -0.012267  -0.086866  -0.038290
+    1SOL     O4    4   0.267906   0.006922   0.004792
+    1SOL     H5    5   0.307500   0.066166  -0.059120
+    1SOL     H6    6   0.318138   0.021131   0.085025
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/234/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084137  -0.034508   0.029874
+    0SOL     H3    3  -0.060756  -0.019890   0.071242
+    1SOL     O4    4   0.068443   0.255717  -0.017728
+    1SOL     H5    5  -0.001814   0.293056   0.035489
+    1SOL     H6    6   0.046121   0.162942  -0.025269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/235/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093814  -0.016935  -0.008628
+    0SOL     H3    3   0.027871  -0.055760   0.072638
+    1SOL     O4    4  -0.041688   0.266459  -0.010623
+    1SOL     H5    5  -0.013328   0.175226  -0.004748
+    1SOL     H6    6   0.011311   0.312311   0.054576
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/236/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009952   0.092358   0.023094
+    0SOL     H3    3  -0.071704  -0.044013   0.045647
+    1SOL     O4    4   0.093055  -0.225208  -0.131182
+    1SOL     H5    5   0.184745  -0.243315  -0.151858
+    1SOL     H6    6   0.094293  -0.138607  -0.090428
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/237/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094649  -0.012044  -0.007671
+    0SOL     H3    3   0.010149   0.069684   0.064834
+    1SOL     O4    4   0.215103   0.061855  -0.187234
+    1SOL     H5    5   0.142840   0.029741  -0.133299
+    1SOL     H6    6   0.212458   0.007309  -0.265847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/238/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005158  -0.046944  -0.083258
+    0SOL     H3    3   0.089644  -0.000722   0.033552
+    1SOL     O4    4   0.274378   0.022585  -0.000004
+    1SOL     H5    5   0.293061   0.111330  -0.030626
+    1SOL     H6    6   0.339003   0.006846   0.068830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/239/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084506  -0.017284  -0.041501
+    0SOL     H3    3   0.011846  -0.072463   0.061410
+    1SOL     O4    4  -0.303125   0.065156   0.097591
+    1SOL     H5    5  -0.218707   0.080178   0.140137
+    1SOL     H6    6  -0.298031   0.114855   0.015943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/240/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012945   0.093101  -0.018080
+    0SOL     H3    3   0.032672  -0.044411  -0.078246
+    1SOL     O4    4   0.080494  -0.220893  -0.140303
+    1SOL     H5    5   0.171312  -0.215670  -0.170088
+    1SOL     H6    6   0.083032  -0.281202  -0.066015
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/241/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052111   0.018258  -0.078188
+    0SOL     H3    3  -0.030272   0.063934   0.064485
+    1SOL     O4    4   0.165618  -0.334728  -0.148604
+    1SOL     H5    5   0.160936  -0.422735  -0.185955
+    1SOL     H6    6   0.157518  -0.348265  -0.054193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/242/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012252   0.093791   0.014678
+    0SOL     H3    3   0.031337  -0.006278  -0.090227
+    1SOL     O4    4  -0.260156  -0.069476  -0.066486
+    1SOL     H5    5  -0.285677  -0.119522   0.011014
+    1SOL     H6    6  -0.173655  -0.034527  -0.045074
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008376   0.094920  -0.009072
+    0SOL     H3    3  -0.021195  -0.034367  -0.086787
+    1SOL     O4    4   0.280502   0.198334  -0.158988
+    1SOL     H5    5   0.200779   0.211989  -0.210174
+    1SOL     H6    6   0.256685   0.131362  -0.094880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/244/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074514  -0.027858   0.053235
+    0SOL     H3    3  -0.001129   0.095568   0.005278
+    1SOL     O4    4  -0.277440   0.046491  -0.148309
+    1SOL     H5    5  -0.245723   0.098044  -0.074156
+    1SOL     H6    6  -0.250967  -0.043272  -0.128205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/245/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043275  -0.004822   0.085243
+    0SOL     H3    3   0.009567  -0.087855  -0.036774
+    1SOL     O4    4   0.048774  -0.210095  -0.145444
+    1SOL     H5    5   0.137961  -0.186012  -0.170506
+    1SOL     H6    6  -0.003907  -0.191196  -0.223097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/246/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020812   0.079737  -0.048695
+    0SOL     H3    3  -0.075167  -0.037310  -0.046046
+    1SOL     O4    4   0.195397  -0.021035  -0.180107
+    1SOL     H5    5   0.287534  -0.046979  -0.180321
+    1SOL     H6    6   0.161231  -0.054516  -0.097197
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/247/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005137   0.095473  -0.004576
+    0SOL     H3    3  -0.066005  -0.030594  -0.062207
+    1SOL     O4    4  -0.010950  -0.169035   0.217221
+    1SOL     H5    5  -0.003084  -0.101586   0.149760
+    1SOL     H6    6  -0.105169  -0.183653   0.225671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/248/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004176  -0.093451  -0.020294
+    0SOL     H3    3  -0.064281   0.012285   0.069852
+    1SOL     O4    4   0.170395   0.032474   0.199241
+    1SOL     H5    5   0.146352   0.118945   0.232514
+    1SOL     H6    6   0.103874   0.012791   0.133288
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/249/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014328   0.092222  -0.021265
+    0SOL     H3    3  -0.056060  -0.016119   0.075894
+    1SOL     O4    4   0.259298   0.033240   0.039681
+    1SOL     H5    5   0.169568   0.001522   0.049920
+    1SOL     H6    6   0.252331   0.105075  -0.023196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/250/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084722  -0.043374   0.010157
+    0SOL     H3    3   0.058321  -0.046999   0.059599
+    1SOL     O4    4   0.216242  -0.080881   0.163942
+    1SOL     H5    5   0.284474  -0.054514   0.102204
+    1SOL     H6    6   0.214811  -0.011050   0.229392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/251/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090957  -0.025385   0.015643
+    0SOL     H3    3   0.005250   0.067775  -0.067389
+    1SOL     O4    4   0.105458   0.306458   0.139853
+    1SOL     H5    5   0.013601   0.307686   0.112963
+    1SOL     H6    6   0.153689   0.333629   0.061765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/252/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051690   0.033563   0.073239
+    0SOL     H3    3   0.000494   0.070965  -0.064235
+    1SOL     O4    4   0.182288   0.032937   0.200212
+    1SOL     H5    5   0.272117   0.010357   0.176064
+    1SOL     H6    6   0.161094  -0.026562   0.272135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/253/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005887  -0.054278   0.078623
+    0SOL     H3    3  -0.093956   0.011331  -0.014360
+    1SOL     O4    4   0.059006   0.203534   0.167239
+    1SOL     H5    5   0.055004   0.295367   0.140537
+    1SOL     H6    6   0.048942   0.154379   0.085723
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/254/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088966  -0.003713   0.035123
+    0SOL     H3    3   0.054040   0.026823   0.074314
+    1SOL     O4    4   0.008253  -0.284329  -0.034304
+    1SOL     H5    5  -0.081522  -0.305864  -0.009023
+    1SOL     H6    6   0.007396  -0.189520  -0.047448
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/255/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018894   0.013976  -0.092790
+    0SOL     H3    3  -0.044598  -0.081922   0.021499
+    1SOL     O4    4   0.181111   0.132764   0.248895
+    1SOL     H5    5   0.227589   0.199938   0.198996
+    1SOL     H6    6   0.188682   0.053674   0.195512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/256/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095042   0.001995   0.011196
+    0SOL     H3    3   0.033868  -0.023223   0.086464
+    1SOL     O4    4   0.307815   0.081168  -0.138182
+    1SOL     H5    5   0.383910   0.116236  -0.184466
+    1SOL     H6    6   0.307666  -0.012148  -0.159498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/257/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078406  -0.000457  -0.054905
+    0SOL     H3    3  -0.012854   0.092093   0.022715
+    1SOL     O4    4  -0.174514  -0.099543  -0.209625
+    1SOL     H5    5  -0.132572  -0.041029  -0.146544
+    1SOL     H6    6  -0.132532  -0.078875  -0.293127
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/258/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080472   0.033940   0.039174
+    0SOL     H3    3   0.017656  -0.092976  -0.014355
+    1SOL     O4    4   0.213695  -0.031379   0.161736
+    1SOL     H5    5   0.309131  -0.027811   0.155283
+    1SOL     H6    6   0.196845  -0.087175   0.237665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/259/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090546   0.015970  -0.026622
+    0SOL     H3    3   0.010738   0.050942   0.080324
+    1SOL     O4    4   0.035037  -0.251765  -0.057247
+    1SOL     H5    5   0.054196  -0.160200  -0.036971
+    1SOL     H6    6   0.108088  -0.279945  -0.112307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/260/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002403  -0.092980   0.022613
+    0SOL     H3    3   0.005140   0.045308   0.084161
+    1SOL     O4    4   0.077169  -0.121440   0.290827
+    1SOL     H5    5  -0.018219  -0.125047   0.297924
+    1SOL     H6    6   0.108121  -0.192434   0.347079
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/261/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036690  -0.068582  -0.055791
+    0SOL     H3    3  -0.073869   0.029858   0.053050
+    1SOL     O4    4  -0.082635  -0.197792  -0.157364
+    1SOL     H5    5  -0.057179  -0.289942  -0.162129
+    1SOL     H6    6  -0.142082  -0.185459  -0.231367
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/262/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002043   0.092240  -0.025496
+    0SOL     H3    3  -0.018388  -0.047683  -0.080935
+    1SOL     O4    4  -0.042210  -0.215716  -0.198515
+    1SOL     H5    5  -0.024561  -0.286106  -0.136096
+    1SOL     H6    6   0.040091  -0.204665  -0.246126
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/263/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060504  -0.066670   0.032508
+    0SOL     H3    3  -0.030177   0.081451   0.040217
+    1SOL     O4    4  -0.182575  -0.059545  -0.196379
+    1SOL     H5    5  -0.258375  -0.045508  -0.139638
+    1SOL     H6    6  -0.107577  -0.032657  -0.143326
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/264/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018829   0.062856   0.069692
+    0SOL     H3    3   0.062421  -0.061157   0.039062
+    1SOL     O4    4  -0.056049   0.189590   0.210351
+    1SOL     H5    5  -0.148025   0.180784   0.235355
+    1SOL     H6    6  -0.056498   0.253941   0.139493
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/265/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078526   0.019940   0.050974
+    0SOL     H3    3  -0.071537   0.004308   0.063453
+    1SOL     O4    4   0.096036  -0.155843  -0.236632
+    1SOL     H5    5   0.007791  -0.140781  -0.202746
+    1SOL     H6    6   0.153943  -0.131819  -0.164299
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/266/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077915   0.019467   0.052083
+    0SOL     H3    3  -0.000484  -0.095407  -0.007722
+    1SOL     O4    4   0.198720   0.015816   0.180646
+    1SOL     H5    5   0.287616  -0.007944   0.154276
+    1SOL     H6    6   0.210130   0.091725   0.237830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/267/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012221  -0.094906  -0.002410
+    0SOL     H3    3   0.074307   0.032482   0.050851
+    1SOL     O4    4  -0.105838   0.197960  -0.152249
+    1SOL     H5    5  -0.077957   0.287187  -0.131671
+    1SOL     H6    6  -0.069880   0.144630  -0.081360
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/268/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095005   0.009180  -0.007212
+    0SOL     H3    3   0.034562   0.084220  -0.029577
+    1SOL     O4    4  -0.139193  -0.345637   0.083117
+    1SOL     H5    5  -0.043506  -0.343284   0.082248
+    1SOL     H6    6  -0.163639  -0.361473  -0.008064
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/269/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073678  -0.024341  -0.056048
+    0SOL     H3    3  -0.016941   0.091192   0.023652
+    1SOL     O4    4  -0.085893  -0.215057   0.148626
+    1SOL     H5    5  -0.176873  -0.185414   0.151159
+    1SOL     H6    6  -0.039921  -0.147227   0.099149
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/270/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068587  -0.014477  -0.065181
+    0SOL     H3    3  -0.013370  -0.069267   0.064696
+    1SOL     O4    4  -0.018430  -0.181831   0.218832
+    1SOL     H5    5  -0.105883  -0.151257   0.242906
+    1SOL     H6    6  -0.033748  -0.263864   0.171948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/271/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048833   0.028760  -0.077140
+    0SOL     H3    3  -0.025805   0.061196   0.068931
+    1SOL     O4    4  -0.034892   0.152888   0.219259
+    1SOL     H5    5  -0.011875   0.235712   0.177154
+    1SOL     H6    6  -0.130022   0.156634   0.229182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/272/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004153  -0.054054  -0.078887
+    0SOL     H3    3  -0.060115  -0.042332   0.061290
+    1SOL     O4    4  -0.067023   0.279770   0.017848
+    1SOL     H5    5   0.003651   0.313283   0.073024
+    1SOL     H6    6  -0.046738   0.186897   0.006644
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/273/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091066   0.005621   0.028942
+    0SOL     H3    3  -0.051124   0.003237   0.080859
+    1SOL     O4    4   0.157482   0.088025   0.251363
+    1SOL     H5    5   0.156791   0.000187   0.289394
+    1SOL     H6    6   0.237460   0.128228   0.285269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/274/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082073  -0.016713   0.046337
+    0SOL     H3    3   0.015668  -0.079738  -0.050584
+    1SOL     O4    4  -0.027704   0.258136  -0.042418
+    1SOL     H5    5  -0.016868   0.163610  -0.052887
+    1SOL     H6    6  -0.008771   0.294202  -0.129039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/275/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004695  -0.067719  -0.067486
+    0SOL     H3    3   0.070073  -0.022289   0.061280
+    1SOL     O4    4   0.098010   0.151115  -0.345531
+    1SOL     H5    5   0.138026   0.225114  -0.391194
+    1SOL     H6    6   0.163544   0.124408  -0.281076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/276/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056415  -0.008408   0.076870
+    0SOL     H3    3   0.018295   0.087697  -0.033718
+    1SOL     O4    4  -0.222371   0.010195   0.164810
+    1SOL     H5    5  -0.153436   0.001043   0.099034
+    1SOL     H6    6  -0.189196   0.076579   0.225265
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/277/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034379   0.087697  -0.017018
+    0SOL     H3    3  -0.033597  -0.053342  -0.072029
+    1SOL     O4    4  -0.081401  -0.149268  -0.214934
+    1SOL     H5    5  -0.169147  -0.122114  -0.241870
+    1SOL     H6    6  -0.040343  -0.180986  -0.295373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/278/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057176   0.002038  -0.076740
+    0SOL     H3    3   0.088029   0.012902  -0.035310
+    1SOL     O4    4   0.271641   0.046586  -0.023587
+    1SOL     H5    5   0.290421   0.129670   0.020078
+    1SOL     H6    6   0.333367   0.043397  -0.096677
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085317  -0.015985  -0.040345
+    0SOL     H3    3  -0.063397  -0.025280  -0.067112
+    1SOL     O4    4   0.003735   0.240118   0.170661
+    1SOL     H5    5  -0.008482   0.328825   0.136837
+    1SOL     H6    6   0.005610   0.184723   0.092621
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001014   0.038584   0.087593
+    0SOL     H3    3   0.038361  -0.086924   0.011620
+    1SOL     O4    4  -0.273739   0.113453   0.137728
+    1SOL     H5    5  -0.277639   0.184320   0.073502
+    1SOL     H6    6  -0.235550   0.153789   0.215682
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070034   0.060838  -0.023585
+    0SOL     H3    3   0.003530  -0.061950  -0.072884
+    1SOL     O4    4  -0.014059   0.395976   0.066475
+    1SOL     H5    5  -0.066470   0.345161   0.128388
+    1SOL     H6    6   0.070408   0.351017   0.063975
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042195  -0.082926   0.022478
+    0SOL     H3    3  -0.041705  -0.016443  -0.084573
+    1SOL     O4    4   0.013001   0.221971   0.195368
+    1SOL     H5    5   0.055221   0.190306   0.275225
+    1SOL     H6    6   0.001513   0.143613   0.141606
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047158   0.054299  -0.063167
+    0SOL     H3    3  -0.056961  -0.002325   0.076892
+    1SOL     O4    4  -0.161148   0.086295  -0.215690
+    1SOL     H5    5  -0.246261   0.107395  -0.177310
+    1SOL     H6    6  -0.150142   0.150085  -0.286203
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043333  -0.009534   0.084815
+    0SOL     H3    3   0.090819  -0.025359   0.016466
+    1SOL     O4    4  -0.176273   0.013017   0.212537
+    1SOL     H5    5  -0.233967   0.031095   0.138329
+    1SOL     H6    6  -0.224282  -0.050840   0.265261
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034584  -0.031639   0.083458
+    0SOL     H3    3   0.069689  -0.017811  -0.063155
+    1SOL     O4    4  -0.142956  -0.140268  -0.266349
+    1SOL     H5    5  -0.161922  -0.210302  -0.203915
+    1SOL     H6    6  -0.055376  -0.160512  -0.299245
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088851  -0.018717   0.030289
+    0SOL     H3    3  -0.056379  -0.028583   0.071880
+    1SOL     O4    4  -0.082115  -0.203813  -0.161434
+    1SOL     H5    5  -0.044172  -0.145859  -0.095373
+    1SOL     H6    6  -0.079010  -0.290822  -0.121659
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006642  -0.090835  -0.029447
+    0SOL     H3    3   0.033307   0.051540  -0.073462
+    1SOL     O4    4   0.050021   0.122504  -0.243379
+    1SOL     H5    5  -0.008627   0.115739  -0.318725
+    1SOL     H6    6   0.135048   0.145083  -0.281102
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034155   0.062046   0.064390
+    0SOL     H3    3  -0.004060  -0.084914   0.043994
+    1SOL     O4    4  -0.114099   0.065699   0.247494
+    1SOL     H5    5  -0.091952   0.035255   0.335500
+    1SOL     H6    6  -0.104348   0.160822   0.251844
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087586   0.031248  -0.022682
+    0SOL     H3    3  -0.011272  -0.079614  -0.051932
+    1SOL     O4    4  -0.207175   0.110356   0.159330
+    1SOL     H5    5  -0.125551   0.106643   0.109469
+    1SOL     H6    6  -0.212540   0.025322   0.202950
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091626   0.006864   0.026832
+    0SOL     H3    3  -0.046499  -0.025481   0.079692
+    1SOL     O4    4   0.287874   0.010269   0.025283
+    1SOL     H5    5   0.353284  -0.009125   0.092423
+    1SOL     H6    6   0.299356  -0.058739  -0.040051
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003015  -0.095348   0.007875
+    0SOL     H3    3  -0.084057   0.023505  -0.039298
+    1SOL     O4    4  -0.233652   0.073152  -0.142049
+    1SOL     H5    5  -0.328957   0.064321  -0.140876
+    1SOL     H6    6  -0.218216   0.162687  -0.172174
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023244   0.068194   0.063021
+    0SOL     H3    3  -0.062201  -0.070712   0.017124
+    1SOL     O4    4   0.121927  -0.001729  -0.230832
+    1SOL     H5    5   0.083547  -0.016027  -0.144316
+    1SOL     H6    6   0.092475  -0.076517  -0.282809
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053469   0.008374   0.078951
+    0SOL     H3    3  -0.050212  -0.058324  -0.056915
+    1SOL     O4    4   0.159204  -0.255729  -0.050746
+    1SOL     H5    5   0.199116  -0.254532  -0.137740
+    1SOL     H6    6   0.118004  -0.169767  -0.042060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/294/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008429   0.094054  -0.015654
+    0SOL     H3    3  -0.038310  -0.006430   0.087483
+    1SOL     O4    4   0.143957  -0.248310   0.070514
+    1SOL     H5    5   0.236226  -0.273577   0.073728
+    1SOL     H6    6   0.124872  -0.238960  -0.022817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/295/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089685   0.009595   0.032044
+    0SOL     H3    3  -0.053169  -0.007169   0.079271
+    1SOL     O4    4   0.181992  -0.067881   0.276339
+    1SOL     H5    5   0.166365   0.024122   0.297638
+    1SOL     H6    6   0.109565  -0.114751   0.317810
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/296/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025812   0.088443  -0.025961
+    0SOL     H3    3  -0.026867  -0.042102  -0.081657
+    1SOL     O4    4   0.402393   0.041595   0.047028
+    1SOL     H5    5   0.387009   0.115555  -0.011757
+    1SOL     H6    6   0.342445   0.056226   0.120202
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039317   0.080299   0.034183
+    0SOL     H3    3  -0.064131  -0.033280  -0.062785
+    1SOL     O4    4  -0.194954  -0.045331  -0.188290
+    1SOL     H5    5  -0.151982  -0.028346  -0.272119
+    1SOL     H6    6  -0.196897  -0.140770  -0.181220
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000538  -0.062570   0.072436
+    0SOL     H3    3  -0.055269  -0.040875  -0.066610
+    1SOL     O4    4  -0.044529   0.226029   0.125300
+    1SOL     H5    5  -0.011951   0.307185   0.086379
+    1SOL     H6    6  -0.029603   0.159508   0.058109
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002305  -0.095419  -0.007221
+    0SOL     H3    3  -0.040700   0.029262  -0.081545
+    1SOL     O4    4   0.297080   0.029845  -0.084704
+    1SOL     H5    5   0.317051  -0.063041  -0.096350
+    1SOL     H6    6   0.218431   0.030826  -0.030155
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068632  -0.039075  -0.054084
+    0SOL     H3    3   0.018892   0.093827  -0.001342
+    1SOL     O4    4   0.030119   0.286775  -0.103238
+    1SOL     H5    5  -0.048635   0.274524  -0.156248
+    1SOL     H6    6  -0.000685   0.331681  -0.024518
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034518   0.053889  -0.071181
+    0SOL     H3    3  -0.040494  -0.085751  -0.013011
+    1SOL     O4    4  -0.136659   0.119032  -0.189015
+    1SOL     H5    5  -0.218504   0.126625  -0.139962
+    1SOL     H6    6  -0.159194   0.065611  -0.265177
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093275   0.018746  -0.010521
+    0SOL     H3    3   0.038341   0.020353  -0.085312
+    1SOL     O4    4   0.106176  -0.309719  -0.139708
+    1SOL     H5    5   0.094769  -0.260302  -0.220888
+    1SOL     H6    6   0.114873  -0.400735  -0.168037
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028825  -0.024802   0.087843
+    0SOL     H3    3   0.050755   0.080088   0.013116
+    1SOL     O4    4   0.126510  -0.231948  -0.069441
+    1SOL     H5    5   0.074532  -0.153211  -0.053283
+    1SOL     H6    6   0.066101  -0.292055  -0.113033
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056309   0.074876  -0.019627
+    0SOL     H3    3   0.081033   0.017740  -0.047762
+    1SOL     O4    4  -0.013138  -0.257586   0.209111
+    1SOL     H5    5   0.014975  -0.343018   0.241875
+    1SOL     H6    6  -0.044223  -0.274998   0.120270
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000113  -0.066921   0.068439
+    0SOL     H3    3   0.058155  -0.034866  -0.067562
+    1SOL     O4    4  -0.208053  -0.051909  -0.163923
+    1SOL     H5    5  -0.156030  -0.027002  -0.087533
+    1SOL     H6    6  -0.298771  -0.047200  -0.133750
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052492   0.022318  -0.076869
+    0SOL     H3    3   0.005433  -0.095553  -0.001568
+    1SOL     O4    4  -0.131917   0.069193  -0.212715
+    1SOL     H5    5  -0.061503   0.131108  -0.231966
+    1SOL     H6    6  -0.137883   0.014517  -0.291056
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093082  -0.003487  -0.022045
+    0SOL     H3    3  -0.044605   0.003147  -0.084634
+    1SOL     O4    4  -0.099425  -0.189777   0.184716
+    1SOL     H5    5  -0.080480  -0.178457   0.091574
+    1SOL     H6    6  -0.120692  -0.282665   0.193764
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091551  -0.017993  -0.021376
+    0SOL     H3    3   0.003932   0.068995   0.066231
+    1SOL     O4    4   0.246862  -0.007959  -0.062974
+    1SOL     H5    5   0.296903  -0.064355  -0.004002
+    1SOL     H6    6   0.296439   0.073875  -0.065738
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000115   0.095718  -0.000661
+    0SOL     H3    3   0.052786  -0.024460  -0.076011
+    1SOL     O4    4   0.211263   0.067324   0.204344
+    1SOL     H5    5   0.189682   0.021688   0.123018
+    1SOL     H6    6   0.303930   0.048159   0.218755
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083078  -0.017535  -0.044191
+    0SOL     H3    3  -0.017571  -0.079417   0.050463
+    1SOL     O4    4   0.220600  -0.023233  -0.159971
+    1SOL     H5    5   0.204982   0.023818  -0.241852
+    1SOL     H6    6   0.298586  -0.076019  -0.177124
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084541  -0.036095  -0.026690
+    0SOL     H3    3  -0.059791  -0.024071  -0.070767
+    1SOL     O4    4  -0.026743  -0.132357   0.251109
+    1SOL     H5    5   0.045208  -0.193496   0.235381
+    1SOL     H6    6  -0.035927  -0.084411   0.168774
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014324  -0.092055   0.021978
+    0SOL     H3    3  -0.008011   0.043923   0.084670
+    1SOL     O4    4   0.279087   0.018497   0.001854
+    1SOL     H5    5   0.184447   0.022524  -0.011903
+    1SOL     H6    6   0.295122   0.077227   0.075719
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085681  -0.005162   0.042361
+    0SOL     H3    3  -0.008955  -0.053507  -0.078862
+    1SOL     O4    4  -0.253391  -0.001372   0.102544
+    1SOL     H5    5  -0.326911   0.053125   0.074486
+    1SOL     H6    6  -0.287135  -0.050475   0.177461
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002120   0.093256  -0.021474
+    0SOL     H3    3   0.070436  -0.011548   0.063779
+    1SOL     O4    4   0.017576   0.270219   0.031531
+    1SOL     H5    5   0.013729   0.346141  -0.026636
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044848  -0.076658   0.035700
+    0SOL     H3    3   0.044508  -0.032516  -0.078256
+    1SOL     O4    4   0.090916  -0.177801  -0.186457
+    1SOL     H5    5   0.014094  -0.192374  -0.241668
+    1SOL     H6    6   0.165431  -0.195768  -0.243790
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051112   0.045223  -0.067117
+    0SOL     H3    3   0.060659   0.066399   0.032772
+    1SOL     O4    4  -0.167367   0.062716  -0.197823
+    1SOL     H5    5  -0.147882   0.153346  -0.221673
+    1SOL     H6    6  -0.134241   0.010938  -0.271199
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016460  -0.084328   0.042192
+    0SOL     H3    3  -0.006534   0.063985   0.070891
+    1SOL     O4    4   0.278544  -0.086433   0.061669
+    1SOL     H5    5   0.312944  -0.162528   0.014888
+    1SOL     H6    6   0.185883  -0.083488   0.037847
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079139  -0.051973  -0.014075
+    0SOL     H3    3  -0.036623   0.012154  -0.087597
+    1SOL     O4    4  -0.157682   0.012424  -0.222165
+    1SOL     H5    5  -0.222807  -0.056518  -0.209204
+    1SOL     H6    6  -0.127500   0.000309  -0.312191
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003048   0.095660   0.001503
+    0SOL     H3    3   0.003057  -0.025366   0.092247
+    1SOL     O4    4   0.212753   0.216425   0.256176
+    1SOL     H5    5   0.291498   0.216910   0.310595
+    1SOL     H6    6   0.212726   0.301976   0.213242
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011241  -0.094640  -0.008897
+    0SOL     H3    3  -0.041100   0.021277   0.083788
+    1SOL     O4    4  -0.195791   0.105919  -0.151500
+    1SOL     H5    5  -0.124969   0.078505  -0.093232
+    1SOL     H6    6  -0.194865   0.201532  -0.147065
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060382  -0.030231  -0.067841
+    0SOL     H3    3  -0.008086  -0.074318   0.059781
+    1SOL     O4    4  -0.234159  -0.045733  -0.150845
+    1SOL     H5    5  -0.192061  -0.016591  -0.069969
+    1SOL     H6    6  -0.196286   0.009818  -0.218978
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075916   0.058068  -0.005216
+    0SOL     H3    3  -0.009293  -0.044125   0.084433
+    1SOL     O4    4  -0.039964  -0.122298   0.231221
+    1SOL     H5    5   0.021481  -0.070269   0.282987
+    1SOL     H6    6  -0.035106  -0.210011   0.269236
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003446   0.075623  -0.058580
+    0SOL     H3    3  -0.013864   0.037594   0.086930
+    1SOL     O4    4  -0.257227  -0.104557  -0.048278
+    1SOL     H5    5  -0.175227  -0.059066  -0.029072
+    1SOL     H6    6  -0.256067  -0.117081  -0.143168
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010381   0.065050   0.069448
+    0SOL     H3    3  -0.088254  -0.034232  -0.014205
+    1SOL     O4    4   0.164271   0.124731  -0.190526
+    1SOL     H5    5   0.236134   0.075695  -0.230445
+    1SOL     H6    6   0.128725   0.065526  -0.124242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/325/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015986  -0.094348   0.002288
+    0SOL     H3    3  -0.039475   0.029042  -0.082223
+    1SOL     O4    4  -0.130092  -0.298066   0.040044
+    1SOL     H5    5  -0.214920  -0.260505   0.016469
+    1SOL     H6    6  -0.147414  -0.391589   0.050806
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072688   0.034195  -0.052052
+    0SOL     H3    3   0.068846  -0.018197  -0.063964
+    1SOL     O4    4   0.060569   0.185983   0.184590
+    1SOL     H5    5   0.041002   0.124215   0.114133
+    1SOL     H6    6   0.096467   0.262687   0.139979
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056795  -0.041312  -0.065038
+    0SOL     H3    3  -0.030648   0.090567   0.004556
+    1SOL     O4    4  -0.349381   0.007566  -0.058974
+    1SOL     H5    5  -0.278706   0.014083  -0.123199
+    1SOL     H6    6  -0.429470   0.007017  -0.111393
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042280   0.084383  -0.015945
+    0SOL     H3    3  -0.032558   0.006060   0.089809
+    1SOL     O4    4  -0.086394   0.078978   0.251499
+    1SOL     H5    5  -0.033558   0.036408   0.319016
+    1SOL     H6    6  -0.176663   0.056219   0.273767
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091693   0.013651   0.023840
+    0SOL     H3    3  -0.007614  -0.094535  -0.012941
+    1SOL     O4    4  -0.098990   0.210614   0.216043
+    1SOL     H5    5  -0.120519   0.286513   0.270248
+    1SOL     H6    6  -0.030566   0.241986   0.156913
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/330/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075467  -0.042987   0.040239
+    0SOL     H3    3   0.038323  -0.066920  -0.056704
+    1SOL     O4    4   0.024694   0.249275   0.099474
+    1SOL     H5    5   0.043556   0.170564   0.048374
+    1SOL     H6    6   0.045937   0.321738   0.040651
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012075   0.086527   0.039111
+    0SOL     H3    3   0.009815  -0.060974   0.073131
+    1SOL     O4    4   0.206501  -0.052021  -0.174493
+    1SOL     H5    5   0.227527  -0.126722  -0.118458
+    1SOL     H6    6   0.128289  -0.013583  -0.134898
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/332/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036100  -0.028953   0.083790
+    0SOL     H3    3  -0.049775  -0.048686  -0.065684
+    1SOL     O4    4   0.236255  -0.086452  -0.042858
+    1SOL     H5    5   0.154388  -0.046512  -0.013449
+    1SOL     H6    6   0.209096  -0.153421  -0.105626
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048115  -0.070825   0.042791
+    0SOL     H3    3  -0.038351   0.080085   0.035747
+    1SOL     O4    4  -0.199362  -0.065640  -0.206524
+    1SOL     H5    5  -0.242054   0.010497  -0.245804
+    1SOL     H6    6  -0.133312  -0.028577  -0.147992
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003358   0.094285  -0.016165
+    0SOL     H3    3  -0.076615  -0.030019  -0.048901
+    1SOL     O4    4   0.043239  -0.395814  -0.017062
+    1SOL     H5    5  -0.019437  -0.376332  -0.086737
+    1SOL     H6    6   0.025785  -0.329838   0.050056
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000812  -0.088466  -0.036544
+    0SOL     H3    3  -0.092426   0.023808   0.007280
+    1SOL     O4    4   0.157308   0.119655   0.221647
+    1SOL     H5    5   0.073771   0.093969   0.182607
+    1SOL     H6    6   0.169544   0.058687   0.294418
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023567  -0.088197  -0.028777
+    0SOL     H3    3  -0.044615   0.010551   0.084027
+    1SOL     O4    4  -0.189428   0.015695   0.201813
+    1SOL     H5    5  -0.270395  -0.000348   0.153344
+    1SOL     H6    6  -0.180616  -0.060118   0.259581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/337/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049149  -0.053213  -0.062571
+    0SOL     H3    3  -0.041840  -0.017343   0.084327
+    1SOL     O4    4  -0.081963  -0.167707  -0.205544
+    1SOL     H5    5  -0.027159  -0.239935  -0.174852
+    1SOL     H6    6  -0.021343  -0.109234  -0.251024
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011080   0.072203   0.061857
+    0SOL     H3    3   0.028407  -0.077583   0.048334
+    1SOL     O4    4   0.179772   0.034348  -0.200294
+    1SOL     H5    5   0.117015   0.029157  -0.128204
+    1SOL     H6    6   0.130451   0.073730  -0.272258
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083832   0.015525   0.043514
+    0SOL     H3    3  -0.065732   0.025263   0.064833
+    1SOL     O4    4   0.154437  -0.055979  -0.254577
+    1SOL     H5    5   0.135513  -0.146003  -0.281034
+    1SOL     H6    6   0.103251  -0.043173  -0.174713
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/340/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074094  -0.011136  -0.059568
+    0SOL     H3    3  -0.032183  -0.031469   0.084477
+    1SOL     O4    4   0.000725   0.121597  -0.349806
+    1SOL     H5    5  -0.028890   0.134264  -0.439944
+    1SOL     H6    6   0.002307   0.209716  -0.312457
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040886   0.078404  -0.036654
+    0SOL     H3    3   0.082193   0.031244   0.037820
+    1SOL     O4    4  -0.103241   0.229656  -0.112835
+    1SOL     H5    5  -0.120174   0.182615  -0.194460
+    1SOL     H6    6  -0.041132   0.298313  -0.137145
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010967  -0.090618  -0.028816
+    0SOL     H3    3   0.089602   0.022478  -0.025071
+    1SOL     O4    4   0.029624  -0.248323   0.293961
+    1SOL     H5    5   0.101378  -0.270580   0.234646
+    1SOL     H6    6  -0.049695  -0.266689   0.243628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/343/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092077  -0.016190  -0.020544
+    0SOL     H3    3   0.001871   0.090018   0.032490
+    1SOL     O4    4   0.043594   0.217912  -0.216072
+    1SOL     H5    5  -0.040221   0.200074  -0.258723
+    1SOL     H6    6   0.025493   0.208204  -0.122582
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092255   0.022177  -0.012627
+    0SOL     H3    3   0.047620   0.065346  -0.051230
+    1SOL     O4    4  -0.267576  -0.049089   0.015575
+    1SOL     H5    5  -0.276321  -0.125952   0.071947
+    1SOL     H6    6  -0.284983  -0.081918  -0.072638
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092574   0.003753   0.024049
+    0SOL     H3    3  -0.044530  -0.027423   0.080171
+    1SOL     O4    4   0.103048   0.109066  -0.295358
+    1SOL     H5    5   0.090695   0.161784  -0.374292
+    1SOL     H6    6   0.138554   0.026086  -0.327233
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036962  -0.008478   0.087888
+    0SOL     H3    3   0.040645  -0.070744  -0.050055
+    1SOL     O4    4   0.094598  -0.188845  -0.161529
+    1SOL     H5    5   0.188507  -0.205845  -0.154149
+    1SOL     H6    6   0.065456  -0.245660  -0.232839
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015350   0.057317   0.075110
+    0SOL     H3    3  -0.011571  -0.088500   0.034586
+    1SOL     O4    4  -0.070603   0.139305   0.213816
+    1SOL     H5    5  -0.161653   0.131235   0.242224
+    1SOL     H6    6  -0.067644   0.222159   0.165974
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093963   0.016846   0.007037
+    0SOL     H3    3  -0.006609  -0.074589  -0.059625
+    1SOL     O4    4  -0.105705   0.156902  -0.191458
+    1SOL     H5    5  -0.043966   0.149758  -0.264256
+    1SOL     H6    6  -0.075607   0.091873  -0.127995
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039220   0.083129   0.026715
+    0SOL     H3    3  -0.074426  -0.059132  -0.011251
+    1SOL     O4    4  -0.244886  -0.127338   0.006184
+    1SOL     H5    5  -0.214682  -0.209620   0.044652
+    1SOL     H6    6  -0.318938  -0.101049   0.060841
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075265   0.012983  -0.057697
+    0SOL     H3    3  -0.000771   0.076173   0.057960
+    1SOL     O4    4  -0.183646   0.083799  -0.186006
+    1SOL     H5    5  -0.185577   0.172910  -0.220905
+    1SOL     H6    6  -0.145565   0.031280  -0.256390
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004554  -0.074856   0.059482
+    0SOL     H3    3  -0.060842  -0.021733  -0.070627
+    1SOL     O4    4   0.233429   0.150683  -0.056134
+    1SOL     H5    5   0.309654   0.121069  -0.105885
+    1SOL     H6    6   0.170339   0.079132  -0.064031
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063574  -0.058502  -0.041209
+    0SOL     H3    3  -0.052277   0.054928   0.058415
+    1SOL     O4    4   0.017045   0.270134  -0.194812
+    1SOL     H5    5   0.018691   0.347903  -0.250594
+    1SOL     H6    6   0.053334   0.200533  -0.249594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/353/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025477   0.023065   0.089338
+    0SOL     H3    3  -0.033883  -0.088647  -0.012489
+    1SOL     O4    4  -0.089248   0.191760  -0.160167
+    1SOL     H5    5  -0.023410   0.196513  -0.229485
+    1SOL     H6    6  -0.063245   0.116171  -0.107513
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/354/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017083   0.092266  -0.018908
+    0SOL     H3    3  -0.030046  -0.046466  -0.078106
+    1SOL     O4    4   0.262351  -0.015694   0.090767
+    1SOL     H5    5   0.184775  -0.025450   0.035548
+    1SOL     H6    6   0.277485   0.078752   0.094420
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036428  -0.025049  -0.084899
+    0SOL     H3    3   0.020359   0.093082  -0.009142
+    1SOL     O4    4   0.028703  -0.241951   0.148649
+    1SOL     H5    5   0.061228  -0.305283   0.084669
+    1SOL     H6    6   0.039408  -0.156985   0.105889
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091972  -0.016214   0.020989
+    0SOL     H3    3  -0.047578  -0.026150   0.078834
+    1SOL     O4    4   0.261853  -0.059808   0.052558
+    1SOL     H5    5   0.260105  -0.152034   0.078123
+    1SOL     H6    6   0.307723  -0.059058  -0.031453
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/357/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038224   0.048373  -0.073221
+    0SOL     H3    3  -0.069297  -0.002360   0.065990
+    1SOL     O4    4  -0.012677  -0.238449  -0.160498
+    1SOL     H5    5   0.045102  -0.236130  -0.236777
+    1SOL     H6    6   0.009384  -0.159378  -0.111269
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036564  -0.087145  -0.015204
+    0SOL     H3    3   0.023260   0.049792  -0.078371
+    1SOL     O4    4   0.073668  -0.267965   0.022507
+    1SOL     H5    5   0.070405  -0.343837  -0.035760
+    1SOL     H6    6   0.012478  -0.289184   0.092990
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052916   0.013438   0.078624
+    0SOL     H3    3   0.032763   0.087189  -0.022068
+    1SOL     O4    4  -0.109269  -0.064050   0.231355
+    1SOL     H5    5  -0.091641  -0.156753   0.247410
+    1SOL     H6    6  -0.204131  -0.055640   0.240990
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036865  -0.018382  -0.086403
+    0SOL     H3    3   0.094727  -0.005249  -0.012713
+    1SOL     O4    4   0.130533   0.081062  -0.399617
+    1SOL     H5    5   0.189362   0.097180  -0.473384
+    1SOL     H6    6   0.164646   0.136223  -0.329219
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/361/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061626  -0.072238   0.012092
+    0SOL     H3    3  -0.053575   0.078890   0.008274
+    1SOL     O4    4  -0.128362   0.216644   0.055228
+    1SOL     H5    5  -0.088930   0.240621   0.139088
+    1SOL     H6    6  -0.216396   0.186610   0.077817
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055699   0.039287   0.067204
+    0SOL     H3    3  -0.083711  -0.014960   0.043944
+    1SOL     O4    4   0.139737   0.118616   0.206859
+    1SOL     H5    5   0.108066   0.076240   0.286631
+    1SOL     H6    6   0.106886   0.208334   0.212679
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/363/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082367   0.033677  -0.035268
+    0SOL     H3    3  -0.008736   0.042506   0.085318
+    1SOL     O4    4   0.076040  -0.256084   0.106000
+    1SOL     H5    5   0.146844  -0.218203   0.158097
+    1SOL     H6    6   0.021239  -0.181348   0.082044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/364/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038491   0.081125  -0.033160
+    0SOL     H3    3   0.070327   0.028833   0.058182
+    1SOL     O4    4   0.131344  -0.250834  -0.032795
+    1SOL     H5    5   0.218157  -0.213845  -0.048848
+    1SOL     H6    6   0.072057  -0.175832  -0.037503
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/365/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026676  -0.053667  -0.074636
+    0SOL     H3    3  -0.082171   0.040517  -0.027725
+    1SOL     O4    4   0.232789  -0.081418  -0.166593
+    1SOL     H5    5   0.268603  -0.118336  -0.247319
+    1SOL     H6    6   0.246230   0.012950  -0.175331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/366/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046483  -0.072451  -0.041862
+    0SOL     H3    3   0.020580   0.076199  -0.054153
+    1SOL     O4    4   0.114413  -0.071114   0.242020
+    1SOL     H5    5   0.043254  -0.132008   0.222255
+    1SOL     H6    6   0.108121  -0.003985   0.174076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/367/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034052   0.040868  -0.079578
+    0SOL     H3    3  -0.000182   0.070247   0.065021
+    1SOL     O4    4  -0.107639   0.147704  -0.208196
+    1SOL     H5    5  -0.195977   0.153307  -0.171764
+    1SOL     H6    6  -0.104664   0.062074  -0.250868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/368/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024360   0.091428  -0.014487
+    0SOL     H3    3   0.083484  -0.045898   0.009278
+    1SOL     O4    4  -0.213215  -0.080332  -0.143487
+    1SOL     H5    5  -0.295353  -0.034300  -0.126259
+    1SOL     H6    6  -0.148079  -0.033575  -0.091204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/369/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052374   0.035092  -0.072026
+    0SOL     H3    3  -0.063515  -0.017985   0.069316
+    1SOL     O4    4   0.189948   0.183776  -0.002189
+    1SOL     H5    5   0.201860   0.236813   0.076598
+    1SOL     H6    6   0.124935   0.118081   0.022708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/370/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080708   0.015689   0.049014
+    0SOL     H3    3  -0.029467  -0.033768  -0.084580
+    1SOL     O4    4   0.232068  -0.034865   0.176529
+    1SOL     H5    5   0.150883  -0.002992   0.137090
+    1SOL     H6    6   0.299951  -0.013047   0.112669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/371/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027121  -0.027062  -0.087718
+    0SOL     H3    3  -0.036190  -0.079337   0.039475
+    1SOL     O4    4  -0.115481   0.005017   0.293206
+    1SOL     H5    5  -0.180345  -0.046025   0.244734
+    1SOL     H6    6  -0.050358  -0.059311   0.321192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/372/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034160   0.077532  -0.044545
+    0SOL     H3    3  -0.093895   0.016585   0.008431
+    1SOL     O4    4  -0.259258   0.087262   0.024623
+    1SOL     H5    5  -0.312631   0.038427  -0.038058
+    1SOL     H6    6  -0.302684   0.172242   0.032040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/373/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019710  -0.092013   0.017531
+    0SOL     H3    3   0.085206   0.039831  -0.017771
+    1SOL     O4    4   0.067156  -0.251668   0.027107
+    1SOL     H5    5   0.027137  -0.312437  -0.035086
+    1SOL     H6    6   0.071449  -0.300708   0.109198
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/374/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055622  -0.024037   0.074099
+    0SOL     H3    3  -0.006766  -0.080133  -0.051916
+    1SOL     O4    4   0.198714   0.232383   0.101220
+    1SOL     H5    5   0.259113   0.277769   0.159995
+    1SOL     H6    6   0.131425   0.297410   0.081071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/375/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045969   0.080572   0.023607
+    0SOL     H3    3  -0.061893  -0.047600  -0.055369
+    1SOL     O4    4   0.111711  -0.061153   0.222408
+    1SOL     H5    5   0.147804   0.007784   0.278151
+    1SOL     H6    6   0.073577  -0.014413   0.148087
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/376/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000659   0.091749   0.027277
+    0SOL     H3    3   0.091558  -0.027354   0.005581
+    1SOL     O4    4  -0.083812   0.281589   0.024632
+    1SOL     H5    5  -0.139881   0.283438  -0.052925
+    1SOL     H6    6  -0.143317   0.298511   0.097674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/377/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071154   0.062947   0.011711
+    0SOL     H3    3   0.023750  -0.026197   0.088949
+    1SOL     O4    4  -0.145360   0.137652  -0.318357
+    1SOL     H5    5  -0.098682   0.054258  -0.312978
+    1SOL     H6    6  -0.237381   0.113078  -0.327873
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/378/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018565   0.010911   0.093266
+    0SOL     H3    3   0.083777  -0.046231  -0.002546
+    1SOL     O4    4   0.253490  -0.102302  -0.046097
+    1SOL     H5    5   0.217512  -0.123229  -0.132295
+    1SOL     H6    6   0.276964  -0.009676  -0.051733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/379/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012028   0.051144  -0.080012
+    0SOL     H3    3  -0.032677  -0.084699  -0.030342
+    1SOL     O4    4   0.089194   0.213226  -0.173856
+    1SOL     H5    5   0.071127   0.303673  -0.148259
+    1SOL     H6    6   0.098869   0.216693  -0.269023
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/380/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060852  -0.053165   0.051310
+    0SOL     H3    3   0.067687  -0.061512  -0.028231
+    1SOL     O4    4  -0.220795  -0.072312   0.113453
+    1SOL     H5    5  -0.277715  -0.049507   0.039952
+    1SOL     H6    6  -0.224455  -0.167858   0.117896
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/381/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017614   0.050385   0.079457
+    0SOL     H3    3  -0.014094   0.066151  -0.067733
+    1SOL     O4    4   0.016569   0.093944   0.289920
+    1SOL     H5    5   0.078040   0.081567   0.362241
+    1SOL     H6    6  -0.064486   0.052883   0.320024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/382/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076959   0.056827  -0.003212
+    0SOL     H3    3   0.029723  -0.082809  -0.037703
+    1SOL     O4    4  -0.092780  -0.045057   0.284443
+    1SOL     H5    5  -0.061482  -0.075481   0.199255
+    1SOL     H6    6  -0.122858   0.044390   0.268414
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016510   0.059698   0.072979
+    0SOL     H3    3   0.083600  -0.004927  -0.046359
+    1SOL     O4    4   0.269627   0.043227  -0.074012
+    1SOL     H5    5   0.304224   0.098084  -0.003612
+    1SOL     H6    6   0.328484   0.058974  -0.147837
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006034  -0.055254  -0.077929
+    0SOL     H3    3   0.066135  -0.035216   0.059568
+    1SOL     O4    4  -0.205871   0.298080  -0.047695
+    1SOL     H5    5  -0.204225   0.288266  -0.142897
+    1SOL     H6    6  -0.114695   0.286795  -0.020826
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059971   0.043983   0.060260
+    0SOL     H3    3   0.057084  -0.041245  -0.064828
+    1SOL     O4    4   0.167903  -0.129574  -0.174975
+    1SOL     H5    5   0.194281  -0.193760  -0.109045
+    1SOL     H6    6   0.118518  -0.180275  -0.239418
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022049   0.089295   0.026505
+    0SOL     H3    3   0.084547  -0.044042  -0.008627
+    1SOL     O4    4   0.007174   0.245336   0.058073
+    1SOL     H5    5   0.069710   0.311476   0.087688
+    1SOL     H6    6  -0.074508   0.267906   0.102581
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079358  -0.049058  -0.021398
+    0SOL     H3    3  -0.041571   0.016491  -0.084630
+    1SOL     O4    4  -0.169756  -0.248335  -0.225525
+    1SOL     H5    5  -0.205650  -0.311777  -0.163484
+    1SOL     H6    6  -0.075205  -0.263011  -0.222856
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074487   0.019371   0.056910
+    0SOL     H3    3  -0.018925   0.047085  -0.081161
+    1SOL     O4    4  -0.112667   0.133721  -0.203495
+    1SOL     H5    5  -0.064767   0.215175  -0.188225
+    1SOL     H6    6  -0.204433   0.156763  -0.188990
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049177  -0.044278  -0.069162
+    0SOL     H3    3   0.022809  -0.047556   0.079878
+    1SOL     O4    4  -0.177859   0.293698  -0.178486
+    1SOL     H5    5  -0.199656   0.374324  -0.225248
+    1SOL     H6    6  -0.141755   0.235954  -0.245751
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061292   0.012494   0.072454
+    0SOL     H3    3   0.064777  -0.061859   0.033759
+    1SOL     O4    4  -0.233631  -0.262711   0.059887
+    1SOL     H5    5  -0.263483  -0.352515   0.074251
+    1SOL     H6    6  -0.139490  -0.270867   0.044616
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007503  -0.048557   0.082148
+    0SOL     H3    3  -0.088287  -0.019498  -0.031425
+    1SOL     O4    4   0.205663  -0.118962  -0.173497
+    1SOL     H5    5   0.138763  -0.100818  -0.107486
+    1SOL     H6    6   0.194069  -0.050110  -0.238974
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019575   0.034242  -0.087216
+    0SOL     H3    3  -0.094810   0.009724   0.008877
+    1SOL     O4    4  -0.144728   0.225669  -0.182485
+    1SOL     H5    5  -0.183674   0.214663  -0.269228
+    1SOL     H6    6  -0.050958   0.212438  -0.196425
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057306   0.070961   0.029032
+    0SOL     H3    3   0.012773  -0.003909  -0.094783
+    1SOL     O4    4   0.177812  -0.212699  -0.010045
+    1SOL     H5    5   0.183186  -0.308254  -0.008428
+    1SOL     H6    6   0.085058  -0.194123  -0.024667
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095362  -0.006538   0.005066
+    0SOL     H3    3  -0.015963   0.081016  -0.048415
+    1SOL     O4    4  -0.031244  -0.280654   0.178972
+    1SOL     H5    5   0.046097  -0.240599   0.218675
+    1SOL     H6    6  -0.032955  -0.369633   0.214215
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024172   0.089098   0.025288
+    0SOL     H3    3  -0.004986   0.002690  -0.095552
+    1SOL     O4    4  -0.014375   0.249466  -0.144701
+    1SOL     H5    5   0.062539   0.277228  -0.094943
+    1SOL     H6    6  -0.070403   0.327023  -0.147534
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092567  -0.019737  -0.014286
+    0SOL     H3    3  -0.000974   0.091509   0.028062
+    1SOL     O4    4   0.099865  -0.110747  -0.331608
+    1SOL     H5    5   0.189986  -0.141806  -0.340310
+    1SOL     H6    6   0.068163  -0.151373  -0.250942
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062186   0.033968  -0.064354
+    0SOL     H3    3  -0.011058   0.056711   0.076315
+    1SOL     O4    4  -0.137542  -0.229866   0.067514
+    1SOL     H5    5  -0.106977  -0.140770   0.050486
+    1SOL     H6    6  -0.195630  -0.249756  -0.005920
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015609  -0.092862  -0.017186
+    0SOL     H3    3   0.059686   0.000857   0.074828
+    1SOL     O4    4   0.188065   0.081271   0.171192
+    1SOL     H5    5   0.264962   0.107304   0.120483
+    1SOL     H6    6   0.179133   0.149340   0.237894
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054154   0.033803   0.071323
+    0SOL     H3    3  -0.049385  -0.071923   0.039377
+    1SOL     O4    4   0.122317   0.166690  -0.182722
+    1SOL     H5    5   0.059189   0.124897  -0.124152
+    1SOL     H6    6   0.133464   0.104295  -0.254451
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005821  -0.095541   0.000599
+    0SOL     H3    3   0.092138   0.018315  -0.018369
+    1SOL     O4    4  -0.071484  -0.264009   0.039751
+    1SOL     H5    5  -0.024008  -0.320354   0.100854
+    1SOL     H6    6  -0.162785  -0.291671   0.047588
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043328   0.085258   0.004011
+    0SOL     H3    3  -0.065215  -0.061653   0.033290
+    1SOL     O4    4   0.148238   0.128422  -0.276919
+    1SOL     H5    5   0.182993   0.163731  -0.358820
+    1SOL     H6    6   0.102732   0.048267  -0.302739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/402/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082831   0.047965   0.000797
+    0SOL     H3    3  -0.025473  -0.091714  -0.010101
+    1SOL     O4    4  -0.131221  -0.063336  -0.337143
+    1SOL     H5    5  -0.157647  -0.152214  -0.313381
+    1SOL     H6    6  -0.164497  -0.008582  -0.266030
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049264   0.081118   0.012460
+    0SOL     H3    3   0.058762  -0.056258  -0.050442
+    1SOL     O4    4   0.134484   0.247952  -0.007815
+    1SOL     H5    5   0.134746   0.289019  -0.094278
+    1SOL     H6    6   0.218024   0.273648   0.031211
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000754  -0.092991  -0.022680
+    0SOL     H3    3  -0.091068   0.027819  -0.009748
+    1SOL     O4    4   0.084140   0.229784   0.223031
+    1SOL     H5    5  -0.001308   0.203964   0.257590
+    1SOL     H6    6   0.141211   0.232665   0.299822
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.029814   0.070268   0.057757
+    0SOL     H3    3   0.089744   0.024188  -0.022875
+    1SOL     O4    4   0.037265   0.215881   0.184883
+    1SOL     H5    5  -0.046990   0.205585   0.229127
+    1SOL     H6    6   0.101675   0.184355   0.248284
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/406/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095626   0.001245   0.004048
+    0SOL     H3    3   0.020799   0.034606  -0.086788
+    1SOL     O4    4  -0.132827  -0.183337  -0.297946
+    1SOL     H5    5  -0.068754  -0.230796  -0.244987
+    1SOL     H6    6  -0.087476  -0.103334  -0.324496
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/407/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007814  -0.016729   0.093922
+    0SOL     H3    3  -0.090381   0.003980  -0.031269
+    1SOL     O4    4  -0.028694  -0.272360  -0.070626
+    1SOL     H5    5   0.016388  -0.295316  -0.151885
+    1SOL     H6    6  -0.013068  -0.178501  -0.060203
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052718   0.045495   0.065675
+    0SOL     H3    3  -0.014811   0.049056  -0.080849
+    1SOL     O4    4  -0.026007  -0.017056   0.338284
+    1SOL     H5    5  -0.037539  -0.025804   0.432903
+    1SOL     H6    6  -0.071768   0.063989   0.315922
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052252  -0.053106   0.060099
+    0SOL     H3    3   0.064538   0.046852  -0.052934
+    1SOL     O4    4  -0.215817  -0.164684  -0.086961
+    1SOL     H5    5  -0.248143  -0.159812  -0.176926
+    1SOL     H6    6  -0.162528  -0.085887  -0.076307
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006991  -0.033767  -0.089293
+    0SOL     H3    3  -0.014490  -0.077709   0.053978
+    1SOL     O4    4  -0.029986  -0.122723  -0.248856
+    1SOL     H5    5   0.030383  -0.141189  -0.320806
+    1SOL     H6    6  -0.116821  -0.125708  -0.289021
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023917  -0.079453   0.047724
+    0SOL     H3    3   0.083421   0.035761  -0.030405
+    1SOL     O4    4  -0.185052   0.007180  -0.204252
+    1SOL     H5    5  -0.246137  -0.063711  -0.184119
+    1SOL     H6    6  -0.132256   0.016609  -0.124968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/412/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018939  -0.029590   0.089040
+    0SOL     H3    3   0.081174  -0.015629  -0.048259
+    1SOL     O4    4   0.075318  -0.070680   0.247626
+    1SOL     H5    5   0.068120  -0.150672   0.299701
+    1SOL     H6    6   0.163182  -0.074469   0.209838
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/413/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032936  -0.050959  -0.074032
+    0SOL     H3    3   0.042602   0.075770  -0.040079
+    1SOL     O4    4   0.148252  -0.230518   0.030866
+    1SOL     H5    5   0.068820  -0.283726   0.026200
+    1SOL     H6    6   0.116492  -0.140342   0.035556
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/414/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089986   0.013694  -0.029619
+    0SOL     H3    3  -0.050649  -0.009412  -0.080675
+    1SOL     O4    4  -0.392903   0.018404  -0.022406
+    1SOL     H5    5  -0.382654   0.113552  -0.020383
+    1SOL     H6    6  -0.487512   0.004371  -0.018595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/415/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044803  -0.063735  -0.055614
+    0SOL     H3    3  -0.092666  -0.022912  -0.007089
+    1SOL     O4    4   0.071149   0.053392   0.259736
+    1SOL     H5    5   0.046534  -0.009320   0.327734
+    1SOL     H6    6   0.043227   0.012279   0.177929
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/416/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015292  -0.011578  -0.093779
+    0SOL     H3    3   0.049850  -0.070493   0.041327
+    1SOL     O4    4  -0.331993  -0.078616   0.036886
+    1SOL     H5    5  -0.281368  -0.144244  -0.010991
+    1SOL     H6    6  -0.417009  -0.077124  -0.007073
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/417/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039152   0.085247   0.019036
+    0SOL     H3    3   0.055077  -0.036814  -0.069091
+    1SOL     O4    4   0.052698  -0.186381   0.189907
+    1SOL     H5    5   0.031309  -0.106819   0.141176
+    1SOL     H6    6   0.085819  -0.154846   0.273995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/418/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077314   0.022402   0.051798
+    0SOL     H3    3  -0.060736   0.072453   0.014970
+    1SOL     O4    4   0.321902  -0.100605  -0.025000
+    1SOL     H5    5   0.340963  -0.185341  -0.065234
+    1SOL     H6    6   0.406299  -0.070488   0.008651
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040886   0.023223   0.083375
+    0SOL     H3    3   0.017631   0.084031  -0.042312
+    1SOL     O4    4   0.208911   0.016143   0.255036
+    1SOL     H5    5   0.237392   0.047998   0.169384
+    1SOL     H6    6   0.130553  -0.035631   0.236545
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072290  -0.028942  -0.055667
+    0SOL     H3    3   0.042216   0.048709   0.070764
+    1SOL     O4    4   0.280206  -0.165491   0.176074
+    1SOL     H5    5   0.309078  -0.086374   0.130585
+    1SOL     H6    6   0.314914  -0.237480   0.123395
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029688  -0.081075  -0.041325
+    0SOL     H3    3  -0.095375  -0.002683  -0.007666
+    1SOL     O4    4  -0.258621  -0.120365  -0.186014
+    1SOL     H5    5  -0.232917  -0.046120  -0.240689
+    1SOL     H6    6  -0.350006  -0.103027  -0.163418
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053530  -0.079179  -0.005251
+    0SOL     H3    3  -0.055276   0.063347   0.045761
+    1SOL     O4    4  -0.207007   0.165787   0.090054
+    1SOL     H5    5  -0.169882   0.253528   0.080794
+    1SOL     H6    6  -0.241319   0.163552   0.179385
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031796  -0.026321   0.086363
+    0SOL     H3    3   0.062377   0.070385   0.017818
+    1SOL     O4    4   0.005022   0.363949  -0.214034
+    1SOL     H5    5  -0.047140   0.380197  -0.135437
+    1SOL     H6    6  -0.028669   0.281260  -0.248526
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092485   0.016312  -0.018514
+    0SOL     H3    3  -0.039844  -0.012649  -0.086109
+    1SOL     O4    4   0.232493   0.038933  -0.134926
+    1SOL     H5    5   0.308594   0.021943  -0.079408
+    1SOL     H6    6   0.238871  -0.026038  -0.204929
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/425/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088017  -0.006506   0.037053
+    0SOL     H3    3   0.010215   0.056934  -0.076266
+    1SOL     O4    4   0.092029  -0.237069   0.204406
+    1SOL     H5    5   0.167132  -0.189501   0.168920
+    1SOL     H6    6   0.079157  -0.199930   0.291683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/426/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089562   0.008973   0.032565
+    0SOL     H3    3   0.005302   0.061726  -0.072966
+    1SOL     O4    4   0.143676  -0.015784   0.243035
+    1SOL     H5    5   0.213120  -0.079414   0.260094
+    1SOL     H6    6   0.122636  -0.027483   0.150391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/427/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079668  -0.051908   0.010996
+    0SOL     H3    3  -0.011566   0.074500   0.058977
+    1SOL     O4    4  -0.284175   0.099909   0.031535
+    1SOL     H5    5  -0.309309   0.079381   0.121586
+    1SOL     H6    6  -0.335790   0.039729  -0.022100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/428/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051012   0.024343  -0.077250
+    0SOL     H3    3   0.065444  -0.015032   0.068216
+    1SOL     O4    4  -0.237872  -0.152716  -0.013610
+    1SOL     H5    5  -0.218196  -0.245760  -0.024467
+    1SOL     H6    6  -0.153284  -0.108997  -0.023404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/429/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040709   0.003184   0.086573
+    0SOL     H3    3  -0.079160  -0.052316   0.012613
+    1SOL     O4    4   0.060333  -0.325247   0.103823
+    1SOL     H5    5   0.049879  -0.272453   0.182980
+    1SOL     H6    6   0.154823  -0.327328   0.088670
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/430/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035007   0.065552  -0.060330
+    0SOL     H3    3   0.068957  -0.011732   0.065342
+    1SOL     O4    4   0.160656   0.285802   0.161961
+    1SOL     H5    5   0.211778   0.259113   0.085564
+    1SOL     H6    6   0.177910   0.217982   0.227268
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/431/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037329  -0.069736  -0.053905
+    0SOL     H3    3  -0.094410  -0.015563  -0.002630
+    1SOL     O4    4  -0.271955  -0.012345  -0.000184
+    1SOL     H5    5  -0.301108  -0.100306   0.023801
+    1SOL     H6    6  -0.314381   0.045190   0.063472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/432/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046993  -0.032022  -0.076997
+    0SOL     H3    3  -0.023963  -0.060950   0.069808
+    1SOL     O4    4  -0.004685  -0.191659   0.169469
+    1SOL     H5    5   0.065885  -0.235256   0.121704
+    1SOL     H6    6  -0.063838  -0.262509   0.194834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/433/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077235   0.056038   0.007539
+    0SOL     H3    3   0.038052  -0.000364   0.087831
+    1SOL     O4    4   0.076451   0.264563  -0.093500
+    1SOL     H5    5   0.026410   0.250456  -0.173870
+    1SOL     H6    6   0.083318   0.177671  -0.053941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/434/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032559  -0.078887  -0.043348
+    0SOL     H3    3   0.025368   0.058070  -0.071740
+    1SOL     O4    4   0.227274   0.037033   0.159484
+    1SOL     H5    5   0.157026   0.005471   0.102639
+    1SOL     H6    6   0.307481   0.020627   0.109886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/435/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027305  -0.072232   0.056562
+    0SOL     H3    3   0.093988   0.008718   0.015892
+    1SOL     O4    4   0.265111  -0.005732   0.029979
+    1SOL     H5    5   0.279294   0.075697  -0.018295
+    1SOL     H6    6   0.301349  -0.073843  -0.026679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/436/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061979   0.068981  -0.023718
+    0SOL     H3    3   0.052150  -0.013642  -0.079099
+    1SOL     O4    4   0.162375   0.286454   0.057132
+    1SOL     H5    5   0.120225   0.231077   0.122852
+    1SOL     H6    6   0.100813   0.287823  -0.016151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/437/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077063  -0.049233   0.028281
+    0SOL     H3    3  -0.070453  -0.030902   0.056954
+    1SOL     O4    4   0.128346  -0.277519  -0.065823
+    1SOL     H5    5   0.120742  -0.326416  -0.147759
+    1SOL     H6    6   0.222429  -0.274168  -0.048518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/438/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017797  -0.092997   0.014042
+    0SOL     H3    3  -0.043666   0.044065   0.072896
+    1SOL     O4    4  -0.045009   0.200896   0.191018
+    1SOL     H5    5   0.001936   0.267105   0.140275
+    1SOL     H6    6   0.020500   0.166131   0.251534
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/439/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028130   0.060746  -0.068417
+    0SOL     H3    3   0.074694  -0.005246   0.059629
+    1SOL     O4    4   0.130862  -0.060010   0.263718
+    1SOL     H5    5   0.124983  -0.146721   0.223605
+    1SOL     H6    6   0.219496  -0.056153   0.299657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/440/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019317   0.056351   0.074925
+    0SOL     H3    3  -0.091878   0.017641  -0.020239
+    1SOL     O4    4  -0.033892  -0.258543   0.045746
+    1SOL     H5    5   0.051062  -0.290496   0.076146
+    1SOL     H6    6  -0.017037  -0.168623   0.017593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/441/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095044   0.011157  -0.002133
+    0SOL     H3    3   0.012999  -0.094816   0.001803
+    1SOL     O4    4   0.029232  -0.269380   0.084652
+    1SOL     H5    5   0.012207  -0.288797   0.176823
+    1SOL     H6    6  -0.018755  -0.336871   0.036647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/442/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031614  -0.066801   0.060831
+    0SOL     H3    3  -0.079435   0.036340  -0.039139
+    1SOL     O4    4   0.210359  -0.167049  -0.133251
+    1SOL     H5    5   0.293212  -0.150689  -0.178308
+    1SOL     H6    6   0.180949  -0.080479  -0.104914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/443/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007286   0.042514   0.085450
+    0SOL     H3    3  -0.090032   0.017036  -0.027682
+    1SOL     O4    4   0.064241   0.074548   0.264694
+    1SOL     H5    5  -0.021636   0.051973   0.300440
+    1SOL     H6    6   0.125382   0.017529   0.311308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/444/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077446  -0.015212  -0.054157
+    0SOL     H3    3   0.033510   0.084738  -0.029306
+    1SOL     O4    4   0.102323   0.112869  -0.324894
+    1SOL     H5    5   0.087778   0.192097  -0.376602
+    1SOL     H6    6   0.030111   0.054862  -0.349037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/445/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071371   0.053415  -0.034862
+    0SOL     H3    3   0.017307  -0.004766   0.094022
+    1SOL     O4    4  -0.105591  -0.216245  -0.160301
+    1SOL     H5    5  -0.085052  -0.149641  -0.094694
+    1SOL     H6    6  -0.200976  -0.223835  -0.157747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/446/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045651   0.048906   0.068458
+    0SOL     H3    3  -0.067986  -0.020651  -0.064139
+    1SOL     O4    4  -0.051999   0.133949   0.196712
+    1SOL     H5    5  -0.072540   0.077366   0.271134
+    1SOL     H6    6   0.042629   0.147315   0.202126
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/447/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074512   0.055441   0.023165
+    0SOL     H3    3   0.065600   0.060901  -0.033913
+    1SOL     O4    4  -0.165568   0.148637   0.145103
+    1SOL     H5    5  -0.125763   0.086850   0.206424
+    1SOL     H6    6  -0.251578   0.167604   0.182584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/448/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052163   0.033240  -0.073051
+    0SOL     H3    3   0.083669   0.045902  -0.007412
+    1SOL     O4    4   0.162183   0.188852   0.142433
+    1SOL     H5    5   0.076048   0.227749   0.127267
+    1SOL     H6    6   0.151630   0.137700   0.222648
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/449/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047771   0.082797  -0.004986
+    0SOL     H3    3   0.063032   0.012891   0.070874
+    1SOL     O4    4  -0.090057  -0.201946  -0.187298
+    1SOL     H5    5  -0.114674  -0.174096  -0.275506
+    1SOL     H6    6  -0.063292  -0.121284  -0.143257
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/450/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010282   0.063131  -0.071211
+    0SOL     H3    3   0.062811   0.040954   0.059497
+    1SOL     O4    4   0.064623  -0.234744   0.129510
+    1SOL     H5    5   0.032052  -0.209782   0.215987
+    1SOL     H6    6   0.037160  -0.163333   0.071989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/451/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062827  -0.066115  -0.029048
+    0SOL     H3    3  -0.081480  -0.023081  -0.044616
+    1SOL     O4    4  -0.044744  -0.223084   0.206976
+    1SOL     H5    5  -0.017129  -0.308531   0.240120
+    1SOL     H6    6   0.036407  -0.172877   0.199490
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/452/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072354  -0.062666   0.000555
+    0SOL     H3    3  -0.063382  -0.035973   0.062057
+    1SOL     O4    4  -0.173666   0.050917  -0.228948
+    1SOL     H5    5  -0.238564   0.088946  -0.169751
+    1SOL     H6    6  -0.093720   0.045446  -0.176594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/453/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057112   0.076545   0.006436
+    0SOL     H3    3  -0.057681   0.006627   0.076101
+    1SOL     O4    4   0.108231   0.141700   0.252132
+    1SOL     H5    5   0.200453   0.142022   0.226493
+    1SOL     H6    6   0.099746   0.066127   0.310261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/454/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080363   0.049713  -0.015253
+    0SOL     H3    3  -0.050659   0.010995  -0.080468
+    1SOL     O4    4  -0.213240  -0.028698  -0.234376
+    1SOL     H5    5  -0.245159  -0.068436  -0.315397
+    1SOL     H6    6  -0.278809  -0.052134  -0.168697
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/455/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037042  -0.038600   0.079374
+    0SOL     H3    3   0.052671   0.073505   0.031386
+    1SOL     O4    4  -0.060632  -0.291978  -0.028236
+    1SOL     H5    5  -0.079271  -0.378703  -0.064204
+    1SOL     H6    6  -0.141707  -0.266279   0.015681
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/456/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038366   0.025488   0.083909
+    0SOL     H3    3  -0.031692  -0.089100  -0.014803
+    1SOL     O4    4  -0.095681  -0.254789  -0.045395
+    1SOL     H5    5  -0.148328  -0.217683  -0.116204
+    1SOL     H6    6  -0.013798  -0.280915  -0.087525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/457/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037670  -0.014782  -0.086746
+    0SOL     H3    3  -0.022102   0.090826   0.020603
+    1SOL     O4    4   0.142437  -0.211110   0.050000
+    1SOL     H5    5   0.146429  -0.236891   0.142096
+    1SOL     H6    6   0.097754  -0.126462   0.050689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/458/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001257   0.061947  -0.072961
+    0SOL     H3    3   0.005894  -0.085993  -0.041627
+    1SOL     O4    4   0.218899  -0.139031   0.139690
+    1SOL     H5    5   0.243994  -0.085082   0.214670
+    1SOL     H6    6   0.141809  -0.095377   0.103444
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/459/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017593   0.010278   0.093526
+    0SOL     H3    3   0.086307  -0.012684  -0.039403
+    1SOL     O4    4   0.079355  -0.019662   0.292571
+    1SOL     H5    5   0.095677   0.067578   0.328419
+    1SOL     H6    6   0.116258  -0.079566   0.357471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/460/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091434   0.026721  -0.009389
+    0SOL     H3    3  -0.007719  -0.078573  -0.054121
+    1SOL     O4    4  -0.146570   0.155711  -0.196132
+    1SOL     H5    5  -0.079326   0.223617  -0.201542
+    1SOL     H6    6  -0.114616   0.095601  -0.128842
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/461/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066454  -0.067770   0.012390
+    0SOL     H3    3   0.024829   0.025780   0.088776
+    1SOL     O4    4   0.260158  -0.070074  -0.019246
+    1SOL     H5    5   0.303700   0.009287  -0.050361
+    1SOL     H6    6   0.167077  -0.047758  -0.018756
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048370  -0.066917  -0.048423
+    0SOL     H3    3  -0.033636  -0.006057   0.089411
+    1SOL     O4    4  -0.161640  -0.197268  -0.072962
+    1SOL     H5    5  -0.214527  -0.212997  -0.151179
+    1SOL     H6    6  -0.218660  -0.221813  -0.000103
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000715   0.068653  -0.066697
+    0SOL     H3    3   0.075297   0.019839   0.055670
+    1SOL     O4    4   0.245254  -0.223189   0.115571
+    1SOL     H5    5   0.168185  -0.265981   0.078267
+    1SOL     H6    6   0.307717  -0.294327   0.129708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/464/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088245   0.036388  -0.007147
+    0SOL     H3    3  -0.008418  -0.089827  -0.031978
+    1SOL     O4    4  -0.270593   0.013828   0.130211
+    1SOL     H5    5  -0.277251   0.019738   0.225516
+    1SOL     H6    6  -0.303156   0.098107   0.098606
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037967  -0.016745   0.086258
+    0SOL     H3    3   0.090964   0.023736   0.018014
+    1SOL     O4    4  -0.080142   0.219487  -0.150403
+    1SOL     H5    5  -0.173863   0.230750  -0.134531
+    1SOL     H6    6  -0.055601   0.144119  -0.096739
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019482  -0.091686   0.019401
+    0SOL     H3    3  -0.050247   0.049434   0.064760
+    1SOL     O4    4  -0.028890  -0.279544   0.076320
+    1SOL     H5    5   0.060701  -0.283533   0.042857
+    1SOL     H6    6  -0.072728  -0.354780   0.036570
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002997   0.094559  -0.014559
+    0SOL     H3    3   0.017210  -0.010431   0.093581
+    1SOL     O4    4  -0.129564  -0.272726   0.101714
+    1SOL     H5    5  -0.192458  -0.296691   0.169775
+    1SOL     H6    6  -0.124384  -0.350045   0.045525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/468/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005342   0.084921  -0.043843
+    0SOL     H3    3  -0.023294  -0.063489  -0.067741
+    1SOL     O4    4  -0.041866  -0.186128  -0.193530
+    1SOL     H5    5   0.052349  -0.197249  -0.206262
+    1SOL     H6    6  -0.077748  -0.182068  -0.282177
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094684   0.011233   0.008430
+    0SOL     H3    3   0.021578  -0.069378   0.062317
+    1SOL     O4    4   0.143414   0.121074   0.267872
+    1SOL     H5    5   0.188317   0.051966   0.316556
+    1SOL     H6    6   0.193105   0.200479   0.287572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/470/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087805  -0.011049   0.036477
+    0SOL     H3    3  -0.007734   0.094079  -0.015862
+    1SOL     O4    4  -0.002480   0.283996  -0.008471
+    1SOL     H5    5  -0.083883   0.332857   0.003714
+    1SOL     H6    6   0.050648   0.306441   0.067922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/471/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015641  -0.013003   0.093534
+    0SOL     H3    3   0.084427  -0.018305  -0.041223
+    1SOL     O4    4   0.093571  -0.033295   0.289767
+    1SOL     H5    5   0.074585   0.032671   0.356478
+    1SOL     H6    6   0.168319  -0.081867   0.324634
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/472/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001178   0.013772   0.094717
+    0SOL     H3    3  -0.051652   0.072962  -0.034219
+    1SOL     O4    4  -0.173995   0.189239  -0.123749
+    1SOL     H5    5  -0.129930   0.272612  -0.140164
+    1SOL     H6    6  -0.176971   0.146415  -0.209303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/473/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086519  -0.025886  -0.031729
+    0SOL     H3    3   0.061314  -0.044201  -0.058730
+    1SOL     O4    4  -0.208797   0.152090  -0.226909
+    1SOL     H5    5  -0.170944   0.220310  -0.282366
+    1SOL     H6    6  -0.157049   0.073935  -0.246308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/474/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014048   0.061136   0.072300
+    0SOL     H3    3  -0.057516  -0.073962   0.019593
+    1SOL     O4    4  -0.236744   0.140258   0.235100
+    1SOL     H5    5  -0.312353   0.192937   0.209205
+    1SOL     H6    6  -0.250706   0.055678   0.192514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/475/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000013   0.094268   0.016609
+    0SOL     H3    3   0.072090  -0.033727   0.053177
+    1SOL     O4    4   0.032250   0.293534   0.039417
+    1SOL     H5    5  -0.010210   0.330503  -0.037996
+    1SOL     H6    6  -0.019792   0.325740   0.113016
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/476/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014042  -0.082654   0.046189
+    0SOL     H3    3   0.081738  -0.012970  -0.048094
+    1SOL     O4    4  -0.266645   0.098964  -0.120151
+    1SOL     H5    5  -0.192743   0.039460  -0.132802
+    1SOL     H6    6  -0.228704   0.175512  -0.076986
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/477/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070108  -0.047346  -0.044783
+    0SOL     H3    3  -0.045509   0.060648   0.058421
+    1SOL     O4    4  -0.200548  -0.167356  -0.118609
+    1SOL     H5    5  -0.152559  -0.180613  -0.200362
+    1SOL     H6    6  -0.193137  -0.250967  -0.072602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/478/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054102   0.074632   0.025795
+    0SOL     H3    3   0.058467  -0.055223  -0.051907
+    1SOL     O4    4   0.118512  -0.225072  -0.172203
+    1SOL     H5    5   0.193242  -0.275250  -0.204759
+    1SOL     H6    6   0.043671  -0.283768  -0.182966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/479/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065950   0.035798   0.059425
+    0SOL     H3    3  -0.083654   0.021199   0.041412
+    1SOL     O4    4  -0.194644   0.008330   0.179519
+    1SOL     H5    5  -0.155612  -0.026089   0.259857
+    1SOL     H6    6  -0.234946   0.091034   0.205939
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/480/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061015   0.058933   0.044344
+    0SOL     H3    3   0.020355  -0.067005   0.065255
+    1SOL     O4    4   0.207031   0.189240   0.012395
+    1SOL     H5    5   0.138917   0.121991   0.011767
+    1SOL     H6    6   0.184097   0.247305  -0.060164
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/481/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006205   0.036616   0.088222
+    0SOL     H3    3   0.080150   0.028856  -0.043653
+    1SOL     O4    4  -0.187254  -0.195607  -0.063848
+    1SOL     H5    5  -0.214393  -0.160650  -0.148723
+    1SOL     H6    6  -0.121464  -0.133648  -0.032301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/482/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054008  -0.036943   0.069862
+    0SOL     H3    3   0.049612  -0.074499  -0.033924
+    1SOL     O4    4  -0.057114   0.055875  -0.264692
+    1SOL     H5    5  -0.082213   0.148244  -0.263990
+    1SOL     H6    6  -0.036615   0.035881  -0.173356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/483/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007359  -0.076674  -0.056827
+    0SOL     H3    3   0.093592   0.020031   0.001277
+    1SOL     O4    4  -0.248966   0.076886  -0.085208
+    1SOL     H5    5  -0.296432  -0.006113  -0.080680
+    1SOL     H6    6  -0.156668   0.052064  -0.079980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/484/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063987   0.057685   0.041718
+    0SOL     H3    3  -0.031041   0.049462  -0.075844
+    1SOL     O4    4  -0.088020   0.212983   0.214739
+    1SOL     H5    5   0.002166   0.213332   0.182667
+    1SOL     H6    6  -0.092090   0.286650   0.275722
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/485/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042358   0.059301   0.062061
+    0SOL     H3    3  -0.038866  -0.068244   0.054722
+    1SOL     O4    4   0.180828   0.241529  -0.142872
+    1SOL     H5    5   0.171538   0.242177  -0.238138
+    1SOL     H6    6   0.237425   0.166481  -0.124788
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/486/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081290   0.047248  -0.017941
+    0SOL     H3    3   0.067416   0.049823  -0.046207
+    1SOL     O4    4   0.036921   0.124605   0.255867
+    1SOL     H5    5   0.009952   0.091581   0.170167
+    1SOL     H6    6   0.036579   0.219823   0.246087
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/487/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001518   0.095484  -0.006550
+    0SOL     H3    3  -0.085644  -0.025072  -0.034623
+    1SOL     O4    4  -0.206378   0.105112  -0.188749
+    1SOL     H5    5  -0.200971   0.011639  -0.168851
+    1SOL     H6    6  -0.138932   0.119456  -0.255140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/488/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036142  -0.070224   0.054081
+    0SOL     H3    3   0.015182   0.079673   0.050833
+    1SOL     O4    4   0.102729  -0.241074   0.100786
+    1SOL     H5    5   0.043515  -0.304365   0.060162
+    1SOL     H6    6   0.120558  -0.277193   0.187618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/489/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003219   0.048325   0.082563
+    0SOL     H3    3  -0.063411   0.044414  -0.056292
+    1SOL     O4    4   0.103970  -0.271368   0.050848
+    1SOL     H5    5   0.103320  -0.278907  -0.044572
+    1SOL     H6    6   0.070808  -0.183267   0.068188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/490/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086338  -0.022229   0.034842
+    0SOL     H3    3  -0.061655  -0.039870   0.061412
+    1SOL     O4    4   0.021810   0.260315   0.080666
+    1SOL     H5    5  -0.017886   0.186760   0.034016
+    1SOL     H6    6  -0.052325   0.307443   0.118683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/491/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092559  -0.000601  -0.024389
+    0SOL     H3    3   0.000411   0.002287   0.095692
+    1SOL     O4    4  -0.019367  -0.000268   0.276465
+    1SOL     H5    5   0.011105  -0.089194   0.258411
+    1SOL     H6    6   0.060289   0.048703   0.296936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/492/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026633   0.091341  -0.010484
+    0SOL     H3    3   0.095643   0.003012   0.002386
+    1SOL     O4    4  -0.309820  -0.042755  -0.148311
+    1SOL     H5    5  -0.271049  -0.127140  -0.125109
+    1SOL     H6    6  -0.402888  -0.061607  -0.160362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/493/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026971  -0.069335   0.060229
+    0SOL     H3    3  -0.002340   0.079056   0.053917
+    1SOL     O4    4   0.146112   0.146345  -0.164960
+    1SOL     H5    5   0.101811   0.071963  -0.124129
+    1SOL     H6    6   0.167681   0.115979  -0.253136
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/494/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023645  -0.081682  -0.043946
+    0SOL     H3    3   0.039849  -0.007012   0.086748
+    1SOL     O4    4   0.188215   0.250016   0.089172
+    1SOL     H5    5   0.094385   0.247733   0.070380
+    1SOL     H6    6   0.222315   0.319393   0.032724
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/495/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001339   0.015201   0.094496
+    0SOL     H3    3   0.078954  -0.052049  -0.014818
+    1SOL     O4    4  -0.077061   0.184458  -0.340943
+    1SOL     H5    5  -0.048918   0.270148  -0.372999
+    1SOL     H6    6  -0.118427   0.142928  -0.416615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/496/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054258   0.032213  -0.071977
+    0SOL     H3    3  -0.044848   0.029896   0.079103
+    1SOL     O4    4  -0.383993  -0.137560   0.124662
+    1SOL     H5    5  -0.307216  -0.100147   0.167882
+    1SOL     H6    6  -0.437976  -0.061867   0.101888
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/497/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090852  -0.013273   0.027058
+    0SOL     H3    3  -0.036234   0.059280   0.065843
+    1SOL     O4    4   0.138521  -0.264387  -0.077945
+    1SOL     H5    5   0.134758  -0.277149   0.016846
+    1SOL     H6    6   0.231355  -0.272945  -0.099646
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022662  -0.004380  -0.092895
+    0SOL     H3    3  -0.005457   0.093660   0.018981
+    1SOL     O4    4   0.043076   0.035345  -0.271890
+    1SOL     H5    5   0.085642   0.103570  -0.323811
+    1SOL     H6    6  -0.031224   0.007346  -0.325350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/499/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022404   0.059953  -0.071176
+    0SOL     H3    3   0.068315   0.014000   0.065570
+    1SOL     O4    4  -0.274455   0.052241   0.020745
+    1SOL     H5    5  -0.296606  -0.007589   0.092104
+    1SOL     H6    6  -0.179393   0.045122   0.012094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/500/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094001   0.014403   0.010891
+    0SOL     H3    3   0.028825   0.071517  -0.056716
+    1SOL     O4    4   0.074694   0.272990   0.149200
+    1SOL     H5    5   0.042750   0.263949   0.238978
+    1SOL     H6    6  -0.003643   0.292260   0.097680
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/501/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063455  -0.071239  -0.007797
+    0SOL     H3    3   0.061166  -0.029615   0.067409
+    1SOL     O4    4  -0.136107   0.215807   0.099894
+    1SOL     H5    5  -0.069923   0.147782   0.087460
+    1SOL     H6    6  -0.198092   0.177879   0.162198
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/502/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078753  -0.041697  -0.034951
+    0SOL     H3    3  -0.050801  -0.072073   0.037243
+    1SOL     O4    4   0.205482  -0.183699   0.169949
+    1SOL     H5    5   0.195727  -0.174554   0.075167
+    1SOL     H6    6   0.148648  -0.257207   0.192943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/503/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014499   0.086461   0.038427
+    0SOL     H3    3   0.056604  -0.058462   0.050403
+    1SOL     O4    4   0.201363   0.098763   0.269143
+    1SOL     H5    5   0.199786   0.191465   0.292937
+    1SOL     H6    6   0.118382   0.064143   0.301975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/504/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056998  -0.016578  -0.075091
+    0SOL     H3    3  -0.077729   0.041366  -0.037541
+    1SOL     O4    4   0.161166   0.159805   0.138147
+    1SOL     H5    5   0.101907   0.101756   0.090387
+    1SOL     H6    6   0.205046   0.102702   0.201204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/505/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057160   0.058317   0.049942
+    0SOL     H3    3  -0.058197  -0.042451  -0.063035
+    1SOL     O4    4  -0.024835   0.223450  -0.212662
+    1SOL     H5    5  -0.016196   0.162835  -0.139085
+    1SOL     H6    6  -0.117566   0.219686  -0.236096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/506/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018201  -0.080985   0.047671
+    0SOL     H3    3   0.078963   0.015621  -0.051798
+    1SOL     O4    4   0.245552   0.096171  -0.090137
+    1SOL     H5    5   0.301066   0.054645  -0.156138
+    1SOL     H6    6   0.293946   0.085937  -0.008188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/507/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067045   0.006982  -0.067960
+    0SOL     H3    3  -0.008826  -0.094055   0.015431
+    1SOL     O4    4   0.185934   0.068900  -0.178337
+    1SOL     H5    5   0.170937   0.162852  -0.188844
+    1SOL     H6    6   0.262974   0.063066  -0.121829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/508/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089032  -0.015081   0.031753
+    0SOL     H3    3   0.037673  -0.087600  -0.008317
+    1SOL     O4    4   0.025649  -0.279768   0.001069
+    1SOL     H5    5   0.031048  -0.310146   0.091679
+    1SOL     H6    6   0.106426  -0.311120  -0.039607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/509/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089717  -0.032569   0.007237
+    0SOL     H3    3  -0.004294   0.067258  -0.067973
+    1SOL     O4    4   0.216574  -0.153406  -0.025362
+    1SOL     H5    5   0.134648  -0.103933  -0.027027
+    1SOL     H6    6   0.264574  -0.117835   0.049425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/510/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026309   0.022779   0.089170
+    0SOL     H3    3   0.003902  -0.095640  -0.000178
+    1SOL     O4    4   0.226406   0.160275   0.051108
+    1SOL     H5    5   0.149457   0.104256   0.040955
+    1SOL     H6    6   0.300778   0.100485   0.043599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/511/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009280   0.065591   0.069094
+    0SOL     H3    3   0.059568   0.040087  -0.063301
+    1SOL     O4    4  -0.111913   0.137557   0.216190
+    1SOL     H5    5  -0.121884   0.086593   0.296599
+    1SOL     H6    6  -0.200607   0.166738   0.195118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/512/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040281   0.038147   0.078004
+    0SOL     H3    3   0.038939  -0.087167  -0.006930
+    1SOL     O4    4   0.133750   0.190022  -0.152951
+    1SOL     H5    5   0.110327   0.282037  -0.140834
+    1SOL     H6    6   0.063948   0.141495  -0.108960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/513/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059883   0.049700   0.055734
+    0SOL     H3    3  -0.023890  -0.091514   0.014723
+    1SOL     O4    4   0.172095   0.316741  -0.066046
+    1SOL     H5    5   0.085184   0.314653  -0.025992
+    1SOL     H6    6   0.228483   0.271362  -0.003408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/514/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042433  -0.081257  -0.027550
+    0SOL     H3    3   0.023456   0.043766  -0.081833
+    1SOL     O4    4  -0.166437   0.192575   0.066477
+    1SOL     H5    5  -0.104120   0.126199   0.036927
+    1SOL     H6    6  -0.237451   0.189042   0.002392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/515/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045091  -0.073315  -0.041881
+    0SOL     H3    3   0.065336   0.027814  -0.064186
+    1SOL     O4    4   0.178468   0.070564  -0.191097
+    1SOL     H5    5   0.226246  -0.001016  -0.233000
+    1SOL     H6    6   0.103930   0.086757  -0.248927
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/516/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012469  -0.056880   0.075970
+    0SOL     H3    3  -0.068416   0.066431   0.008271
+    1SOL     O4    4  -0.137329   0.222384   0.039983
+    1SOL     H5    5  -0.088801   0.285701   0.092882
+    1SOL     H6    6  -0.189065   0.275977  -0.020129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/517/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018930  -0.089895  -0.026885
+    0SOL     H3    3  -0.067014  -0.008828   0.067775
+    1SOL     O4    4   0.164419   0.096423  -0.259914
+    1SOL     H5    5   0.162819   0.190501  -0.277492
+    1SOL     H6    6   0.132959   0.088293  -0.169877
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/518/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035026  -0.038053   0.080544
+    0SOL     H3    3  -0.004874  -0.070891  -0.064133
+    1SOL     O4    4   0.044576  -0.238832  -0.128755
+    1SOL     H5    5  -0.022010  -0.209743  -0.191063
+    1SOL     H6    6   0.127426  -0.228359  -0.175537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/519/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055529   0.072813  -0.027878
+    0SOL     H3    3  -0.046419  -0.038486   0.074340
+    1SOL     O4    4   0.249002  -0.049357   0.070607
+    1SOL     H5    5   0.265660  -0.016705   0.159030
+    1SOL     H6    6   0.161006  -0.018055   0.049647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/520/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001535  -0.089628   0.033566
+    0SOL     H3    3  -0.077051   0.003072  -0.056709
+    1SOL     O4    4  -0.249453  -0.077127  -0.145186
+    1SOL     H5    5  -0.327803  -0.048254  -0.098388
+    1SOL     H6    6  -0.246089  -0.021463  -0.222984
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/521/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017863  -0.059387  -0.072914
+    0SOL     H3    3  -0.031160   0.085277  -0.030318
+    1SOL     O4    4   0.280844  -0.028479  -0.144537
+    1SOL     H5    5   0.207354  -0.077990  -0.180734
+    1SOL     H6    6   0.240909   0.050442  -0.107944
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/522/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078786   0.034331  -0.042149
+    0SOL     H3    3  -0.014699   0.014167   0.093518
+    1SOL     O4    4   0.102104  -0.229862  -0.091330
+    1SOL     H5    5   0.067278  -0.246601  -0.178904
+    1SOL     H6    6   0.045507  -0.161392  -0.055679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/523/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086864   0.000576  -0.040208
+    0SOL     H3    3   0.015971   0.021314   0.091940
+    1SOL     O4    4  -0.258130   0.005009  -0.070068
+    1SOL     H5    5  -0.174271  -0.041119  -0.071574
+    1SOL     H6    6  -0.240964   0.084359  -0.019362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/524/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020284   0.091970   0.017097
+    0SOL     H3    3   0.013678  -0.038086   0.086745
+    1SOL     O4    4   0.242073  -0.003619  -0.193105
+    1SOL     H5    5   0.198262   0.040064  -0.120066
+    1SOL     H6    6   0.185336   0.012823  -0.268423
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/525/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052640  -0.044969   0.066099
+    0SOL     H3    3  -0.043538  -0.070443  -0.048005
+    1SOL     O4    4   0.155202  -0.215928   0.100241
+    1SOL     H5    5   0.173787  -0.255374   0.015030
+    1SOL     H6    6   0.240865  -0.189068   0.133449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/526/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095085  -0.001816  -0.010855
+    0SOL     H3    3  -0.030925  -0.077902  -0.046231
+    1SOL     O4    4  -0.175199  -0.168499  -0.094561
+    1SOL     H5    5  -0.155226  -0.194108  -0.184603
+    1SOL     H6    6  -0.270830  -0.167630  -0.090509
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/527/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042542  -0.015914   0.084257
+    0SOL     H3    3   0.068634   0.038203  -0.054702
+    1SOL     O4    4   0.114702  -0.074912   0.247810
+    1SOL     H5    5   0.044737  -0.139907   0.254359
+    1SOL     H6    6   0.192995  -0.120777   0.278289
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/528/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051820   0.062959  -0.050131
+    0SOL     H3    3  -0.057170   0.054011   0.054559
+    1SOL     O4    4  -0.275392   0.178301  -0.119657
+    1SOL     H5    5  -0.331386   0.197709  -0.194826
+    1SOL     H6    6  -0.194134   0.145429  -0.158113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/529/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033628   0.046167  -0.076812
+    0SOL     H3    3  -0.015444  -0.089381  -0.030576
+    1SOL     O4    4   0.339242   0.140570   0.140002
+    1SOL     H5    5   0.280916   0.155663   0.065620
+    1SOL     H6    6   0.347848   0.045359   0.144817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/530/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079040   0.053891   0.003293
+    0SOL     H3    3   0.004200  -0.041725   0.086045
+    1SOL     O4    4  -0.230040   0.122568  -0.065105
+    1SOL     H5    5  -0.301143   0.075070  -0.022085
+    1SOL     H6    6  -0.234546   0.094808  -0.156600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/531/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044173   0.010495   0.084267
+    0SOL     H3    3   0.069363   0.065957   0.000885
+    1SOL     O4    4  -0.098959  -0.088582   0.247782
+    1SOL     H5    5  -0.080389  -0.065489   0.338799
+    1SOL     H6    6  -0.192763  -0.107594   0.246505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/532/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003635   0.093673   0.019351
+    0SOL     H3    3  -0.088104  -0.031961   0.019455
+    1SOL     O4    4  -0.253825  -0.141914   0.041173
+    1SOL     H5    5  -0.315888  -0.104967   0.103986
+    1SOL     H6    6  -0.299558  -0.138099  -0.042829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/533/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038762  -0.011194  -0.086802
+    0SOL     H3    3  -0.049281  -0.080701   0.014865
+    1SOL     O4    4  -0.209534   0.213238   0.036952
+    1SOL     H5    5  -0.299949   0.181851   0.038440
+    1SOL     H6    6  -0.157107   0.134667   0.021451
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/534/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050824  -0.062049   0.052242
+    0SOL     H3    3   0.012589   0.084189   0.043773
+    1SOL     O4    4   0.070633   0.207662   0.152286
+    1SOL     H5    5   0.117831   0.286052   0.124187
+    1SOL     H6    6   0.107381   0.187038   0.238231
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087253  -0.039197  -0.003589
+    0SOL     H3    3  -0.034749  -0.010639  -0.088553
+    1SOL     O4    4  -0.088018  -0.007711  -0.252742
+    1SOL     H5    5  -0.181102   0.013676  -0.259075
+    1SOL     H6    6  -0.044960   0.055114  -0.310719
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043676  -0.069242   0.049602
+    0SOL     H3    3   0.082544  -0.039254  -0.028426
+    1SOL     O4    4  -0.125398   0.084121   0.339462
+    1SOL     H5    5  -0.117898   0.162180   0.394352
+    1SOL     H6    6  -0.048557   0.031598   0.361805
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/537/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021968  -0.074310   0.056194
+    0SOL     H3    3  -0.046113   0.060900   0.057681
+    1SOL     O4    4  -0.208807  -0.093846  -0.146854
+    1SOL     H5    5  -0.137237  -0.087386  -0.083623
+    1SOL     H6    6  -0.215504  -0.006123  -0.184567
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/538/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007611  -0.080085  -0.051873
+    0SOL     H3    3  -0.010445  -0.029017   0.090616
+    1SOL     O4    4  -0.161865   0.153924  -0.148029
+    1SOL     H5    5  -0.225886   0.184190  -0.083627
+    1SOL     H6    6  -0.113027   0.085127  -0.102818
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003709  -0.009484  -0.095177
+    0SOL     H3    3  -0.084972  -0.036646   0.024476
+    1SOL     O4    4  -0.177018   0.244201   0.122023
+    1SOL     H5    5  -0.087147   0.257109   0.091708
+    1SOL     H6    6  -0.230510   0.294549   0.060655
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019245  -0.084396  -0.040857
+    0SOL     H3    3  -0.085090   0.032242   0.029706
+    1SOL     O4    4  -0.282047  -0.192014  -0.156078
+    1SOL     H5    5  -0.312254  -0.259642  -0.095445
+    1SOL     H6    6  -0.330804  -0.113614  -0.130809
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084007  -0.045388  -0.006718
+    0SOL     H3    3  -0.062784  -0.068841   0.021942
+    1SOL     O4    4  -0.219183  -0.158044   0.116501
+    1SOL     H5    5  -0.225543  -0.125597   0.206329
+    1SOL     H6    6  -0.308918  -0.181819   0.093162
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040669   0.055428   0.066604
+    0SOL     H3    3  -0.065455  -0.050893   0.047831
+    1SOL     O4    4   0.243351  -0.062453  -0.125063
+    1SOL     H5    5   0.164566  -0.045046  -0.073564
+    1SOL     H6    6   0.210516  -0.087923  -0.211292
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053019  -0.025308   0.075570
+    0SOL     H3    3  -0.056143  -0.017284  -0.075575
+    1SOL     O4    4  -0.126251  -0.049062  -0.228856
+    1SOL     H5    5  -0.162900   0.030362  -0.267728
+    1SOL     H6    6  -0.147083  -0.118297  -0.291584
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044836  -0.048652   0.069175
+    0SOL     H3    3  -0.069431   0.049713  -0.043246
+    1SOL     O4    4   0.193758  -0.080950  -0.173966
+    1SOL     H5    5   0.249810  -0.003384  -0.175988
+    1SOL     H6    6   0.125373  -0.059495  -0.110519
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032626   0.068302   0.058589
+    0SOL     H3    3  -0.068044   0.043178  -0.051653
+    1SOL     O4    4  -0.095781  -0.221897   0.109617
+    1SOL     H5    5  -0.043672  -0.156564   0.062942
+    1SOL     H6    6  -0.033353  -0.290968   0.131848
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049640   0.045010  -0.068354
+    0SOL     H3    3   0.080424   0.051142   0.008877
+    1SOL     O4    4  -0.200742  -0.124798   0.149379
+    1SOL     H5    5  -0.114302  -0.092148   0.124390
+    1SOL     H6    6  -0.228054  -0.067818   0.221280
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078843   0.053891  -0.006468
+    0SOL     H3    3  -0.070363   0.056481  -0.031956
+    1SOL     O4    4   0.207711   0.133801  -0.064376
+    1SOL     H5    5   0.200443   0.184021  -0.145540
+    1SOL     H6    6   0.273520   0.066930  -0.083342
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/548/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035632  -0.027821  -0.084372
+    0SOL     H3    3  -0.090974  -0.029732  -0.001390
+    1SOL     O4    4  -0.250970  -0.068460  -0.113810
+    1SOL     H5    5  -0.227455  -0.153445  -0.151050
+    1SOL     H6    6  -0.332636  -0.084713  -0.066600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/549/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015600   0.094377  -0.003455
+    0SOL     H3    3   0.065995  -0.010925   0.068467
+    1SOL     O4    4  -0.182761  -0.187841   0.050890
+    1SOL     H5    5  -0.143941  -0.248330   0.114107
+    1SOL     H6    6  -0.111993  -0.127163   0.029156
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047089  -0.070699   0.044120
+    0SOL     H3    3   0.091302  -0.012029   0.026105
+    1SOL     O4    4  -0.130736  -0.157768  -0.214835
+    1SOL     H5    5  -0.101149  -0.100433  -0.144126
+    1SOL     H6    6  -0.082322  -0.127884  -0.291812
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080741  -0.045865   0.023228
+    0SOL     H3    3  -0.043609  -0.058202  -0.062234
+    1SOL     O4    4  -0.148565  -0.196863  -0.163250
+    1SOL     H5    5  -0.123504  -0.286386  -0.186056
+    1SOL     H6    6  -0.184352  -0.203769  -0.074741
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/552/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084490   0.023357  -0.038447
+    0SOL     H3    3   0.064694   0.033242  -0.062226
+    1SOL     O4    4   0.127440  -0.259181   0.172393
+    1SOL     H5    5   0.101146  -0.178175   0.216085
+    1SOL     H6    6   0.073981  -0.262095   0.093046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/553/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021658  -0.012220   0.092433
+    0SOL     H3    3  -0.040140  -0.082792  -0.026393
+    1SOL     O4    4  -0.080912  -0.221462  -0.164184
+    1SOL     H5    5  -0.081495  -0.191032  -0.254936
+    1SOL     H6    6  -0.015528  -0.291356  -0.162727
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030623   0.026375   0.086769
+    0SOL     H3    3   0.017857   0.075704  -0.055788
+    1SOL     O4    4  -0.236731  -0.127334   0.033577
+    1SOL     H5    5  -0.160132  -0.079438   0.001938
+    1SOL     H6    6  -0.301671  -0.117427  -0.036043
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/555/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026321  -0.040930  -0.082427
+    0SOL     H3    3  -0.082408   0.017982   0.045254
+    1SOL     O4    4  -0.070345  -0.364697  -0.019449
+    1SOL     H5    5  -0.068236  -0.341817   0.073473
+    1SOL     H6    6  -0.151201  -0.414830  -0.029991
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011044  -0.094997  -0.003984
+    0SOL     H3    3  -0.038688   0.025162   0.083860
+    1SOL     O4    4  -0.089868   0.134490   0.218663
+    1SOL     H5    5  -0.135965   0.209039   0.180196
+    1SOL     H6    6  -0.148684   0.102639   0.287136
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/557/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026968   0.091629  -0.006255
+    0SOL     H3    3   0.060187  -0.038433   0.063740
+    1SOL     O4    4   0.022378  -0.221326  -0.205106
+    1SOL     H5    5   0.033802  -0.126980  -0.193673
+    1SOL     H6    6  -0.040613  -0.246242  -0.137477
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/558/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042754  -0.084901   0.011233
+    0SOL     H3    3  -0.055775  -0.011215  -0.076979
+    1SOL     O4    4   0.328524   0.063040  -0.049646
+    1SOL     H5    5   0.305151   0.071218   0.042816
+    1SOL     H6    6   0.247415   0.082276  -0.096695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/559/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074238  -0.056190   0.022220
+    0SOL     H3    3  -0.064506  -0.059474  -0.038264
+    1SOL     O4    4   0.158986  -0.208177   0.107678
+    1SOL     H5    5   0.237197  -0.156537   0.127138
+    1SOL     H6    6   0.099304  -0.189586   0.180167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/560/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070182   0.008075  -0.064588
+    0SOL     H3    3   0.080587   0.008758  -0.050905
+    1SOL     O4    4  -0.077719   0.223708   0.134499
+    1SOL     H5    5  -0.043800   0.144587   0.092645
+    1SOL     H6    6  -0.011617   0.246498   0.199871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/561/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068778  -0.057738  -0.033139
+    0SOL     H3    3   0.077652  -0.023582  -0.050757
+    1SOL     O4    4   0.076727   0.024005   0.238731
+    1SOL     H5    5   0.150966  -0.036250   0.243226
+    1SOL     H6    6   0.042644   0.013509   0.149902
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/562/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033649   0.064249   0.062467
+    0SOL     H3    3  -0.047356  -0.080592   0.020608
+    1SOL     O4    4  -0.147498  -0.132299   0.201678
+    1SOL     H5    5  -0.159326  -0.213003   0.151584
+    1SOL     H6    6  -0.071517  -0.149495   0.257297
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/563/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017193  -0.015281   0.092915
+    0SOL     H3    3  -0.086802   0.003701  -0.040176
+    1SOL     O4    4  -0.063215  -0.027365   0.275593
+    1SOL     H5    5  -0.025714   0.047005   0.322764
+    1SOL     H6    6  -0.157872  -0.015182   0.282941
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079098   0.051427  -0.016155
+    0SOL     H3    3  -0.021419  -0.053631   0.076337
+    1SOL     O4    4  -0.260183   0.146529  -0.057907
+    1SOL     H5    5  -0.287775   0.166631   0.031519
+    1SOL     H6    6  -0.339735   0.115503  -0.101165
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087061   0.009879  -0.038538
+    0SOL     H3    3   0.005285   0.069593   0.065508
+    1SOL     O4    4  -0.026434   0.204230   0.179941
+    1SOL     H5    5   0.035784   0.275109   0.163583
+    1SOL     H6    6  -0.004009   0.172309   0.267351
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029609   0.011672   0.090274
+    0SOL     H3    3  -0.090271  -0.030776   0.008141
+    1SOL     O4    4  -0.141000  -0.340324   0.126185
+    1SOL     H5    5  -0.172232  -0.273297   0.065405
+    1SOL     H6    6  -0.220099  -0.386991   0.153162
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086829  -0.030293  -0.026560
+    0SOL     H3    3  -0.011366   0.029074   0.090486
+    1SOL     O4    4   0.006780   0.077257   0.276918
+    1SOL     H5    5   0.070062   0.147480   0.261870
+    1SOL     H6    6  -0.046455   0.108220   0.350195
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086555  -0.028739  -0.029062
+    0SOL     H3    3  -0.016785   0.079807   0.050115
+    1SOL     O4    4   0.156488  -0.214186  -0.103309
+    1SOL     H5    5   0.122826  -0.145744  -0.045474
+    1SOL     H6    6   0.207496  -0.271242  -0.045820
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043078  -0.077732   0.035556
+    0SOL     H3    3   0.026198   0.070922   0.058702
+    1SOL     O4    4   0.050394  -0.018569  -0.275397
+    1SOL     H5    5   0.121228  -0.082835  -0.271545
+    1SOL     H6    6   0.030360   0.000585  -0.183778
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010470   0.003619   0.095077
+    0SOL     H3    3   0.072118   0.052891  -0.034116
+    1SOL     O4    4  -0.284971   0.049454  -0.014667
+    1SOL     H5    5  -0.284021  -0.040269   0.018667
+    1SOL     H6    6  -0.193182   0.069044  -0.033464
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033298  -0.087573   0.019610
+    0SOL     H3    3  -0.054454   0.030705  -0.072487
+    1SOL     O4    4   0.133296  -0.269760   0.264419
+    1SOL     H5    5   0.147524  -0.364413   0.263562
+    1SOL     H6    6   0.054838  -0.256802   0.211140
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074452  -0.040628   0.044369
+    0SOL     H3    3  -0.017789   0.079252   0.050645
+    1SOL     O4    4  -0.111535  -0.215565   0.304633
+    1SOL     H5    5  -0.049387  -0.207351   0.232297
+    1SOL     H6    6  -0.179461  -0.150934   0.285370
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048221   0.006671   0.082417
+    0SOL     H3    3   0.076153   0.056717   0.012093
+    1SOL     O4    4  -0.118892   0.017382   0.238011
+    1SOL     H5    5  -0.209837   0.046439   0.231143
+    1SOL     H6    6  -0.124993  -0.075321   0.261060
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030787  -0.090531  -0.004312
+    0SOL     H3    3   0.065864   0.050066  -0.048143
+    1SOL     O4    4  -0.250433   0.086801  -0.079247
+    1SOL     H5    5  -0.245358   0.182325  -0.082665
+    1SOL     H6    6  -0.159438   0.058207  -0.071199
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005532  -0.029015  -0.091048
+    0SOL     H3    3   0.002751   0.095529  -0.005380
+    1SOL     O4    4  -0.225008  -0.051209   0.092544
+    1SOL     H5    5  -0.301022  -0.021053   0.042797
+    1SOL     H6    6  -0.150453  -0.007719   0.051162
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086880  -0.030855   0.025730
+    0SOL     H3    3   0.059012  -0.036928   0.065697
+    1SOL     O4    4   0.172751  -0.312523  -0.017905
+    1SOL     H5    5   0.160383  -0.280592  -0.107290
+    1SOL     H6    6   0.083972  -0.323538   0.016144
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070377  -0.002365  -0.064837
+    0SOL     H3    3  -0.036189  -0.088613  -0.000619
+    1SOL     O4    4   0.097171   0.120653   0.225466
+    1SOL     H5    5   0.053558   0.062562   0.163131
+    1SOL     H6    6   0.089839   0.075487   0.309540
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037622   0.013295  -0.087007
+    0SOL     H3    3  -0.023364   0.079092   0.048590
+    1SOL     O4    4  -0.130268   0.060512  -0.232780
+    1SOL     H5    5  -0.154343  -0.022543  -0.273823
+    1SOL     H6    6  -0.213692   0.105076  -0.218054
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038006  -0.081544  -0.032686
+    0SOL     H3    3  -0.071131   0.063763  -0.006085
+    1SOL     O4    4   0.171173   0.185689  -0.091440
+    1SOL     H5    5   0.106775   0.240140  -0.136720
+    1SOL     H6    6   0.125651   0.103036  -0.075358
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003020   0.015154  -0.094465
+    0SOL     H3    3  -0.093358  -0.001625   0.021072
+    1SOL     O4    4   0.235726  -0.107243   0.120635
+    1SOL     H5    5   0.278323  -0.190811   0.101549
+    1SOL     H6    6   0.144319  -0.120625   0.095574
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023285   0.090760   0.019564
+    0SOL     H3    3   0.071828  -0.051623   0.036580
+    1SOL     O4    4  -0.023131   0.053994  -0.263753
+    1SOL     H5    5  -0.044320  -0.024506  -0.314261
+    1SOL     H6    6  -0.015589   0.023126  -0.173461
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057428  -0.076550  -0.002116
+    0SOL     H3    3   0.060285  -0.013195  -0.073171
+    1SOL     O4    4  -0.116074  -0.202073  -0.112299
+    1SOL     H5    5  -0.049323  -0.266911  -0.134720
+    1SOL     H6    6  -0.135957  -0.158462  -0.195155
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024230  -0.014198   0.091508
+    0SOL     H3    3   0.065104  -0.049249  -0.049984
+    1SOL     O4    4   0.121931  -0.058323  -0.245589
+    1SOL     H5    5   0.076095  -0.026742  -0.323461
+    1SOL     H6    6   0.188532  -0.118108  -0.279536
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056214   0.017235  -0.075533
+    0SOL     H3    3   0.022459   0.086806   0.033505
+    1SOL     O4    4   0.004877   0.237585   0.139493
+    1SOL     H5    5   0.010586   0.249272   0.234325
+    1SOL     H6    6  -0.080359   0.274193   0.115890
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054811   0.077794   0.010306
+    0SOL     H3    3   0.085947   0.026709   0.032591
+    1SOL     O4    4   0.061582   0.011563  -0.295836
+    1SOL     H5    5   0.052182  -0.033671  -0.212003
+    1SOL     H6    6  -0.021220  -0.004390  -0.341130
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005535  -0.090238  -0.031445
+    0SOL     H3    3  -0.083324   0.015006   0.044658
+    1SOL     O4    4   0.169006   0.190075   0.144330
+    1SOL     H5    5   0.139342   0.185891   0.235241
+    1SOL     H6    6   0.123087   0.118265   0.100774
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007800  -0.060227   0.073988
+    0SOL     H3    3   0.048751  -0.042346  -0.070657
+    1SOL     O4    4  -0.173819   0.191412  -0.277719
+    1SOL     H5    5  -0.133838   0.277062  -0.292817
+    1SOL     H6    6  -0.220621   0.201059  -0.194780
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/588/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047059  -0.083353  -0.000018
+    0SOL     H3    3   0.067445   0.065641  -0.017457
+    1SOL     O4    4  -0.046650   0.041390   0.248549
+    1SOL     H5    5   0.025941  -0.018742   0.265192
+    1SOL     H6    6  -0.060899   0.036232   0.154036
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086281   0.037316   0.018042
+    0SOL     H3    3  -0.016022   0.020068  -0.092211
+    1SOL     O4    4  -0.095178   0.291359  -0.106110
+    1SOL     H5    5  -0.083108   0.196803  -0.097403
+    1SOL     H6    6  -0.175984   0.300692  -0.156564
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053688   0.073191   0.030382
+    0SOL     H3    3   0.015592  -0.052529   0.078485
+    1SOL     O4    4   0.004868  -0.091096  -0.252792
+    1SOL     H5    5   0.021127  -0.047831  -0.168970
+    1SOL     H6    6  -0.089056  -0.109549  -0.252455
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011813  -0.092053   0.023429
+    0SOL     H3    3   0.086386   0.028444  -0.029845
+    1SOL     O4    4  -0.006000  -0.274838  -0.004095
+    1SOL     H5    5  -0.079156  -0.325162  -0.039844
+    1SOL     H6    6   0.066151  -0.337549   0.000794
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086315  -0.004194  -0.041163
+    0SOL     H3    3  -0.059873  -0.034527  -0.066223
+    1SOL     O4    4  -0.004719  -0.141816  -0.242277
+    1SOL     H5    5   0.003623  -0.068523  -0.303277
+    1SOL     H6    6  -0.069110  -0.199744  -0.283026
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056805  -0.062718  -0.044743
+    0SOL     H3    3  -0.021517   0.084415  -0.039668
+    1SOL     O4    4  -0.082729   0.238807  -0.141378
+    1SOL     H5    5  -0.155519   0.268540  -0.086790
+    1SOL     H6    6  -0.038334   0.319288  -0.168098
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025090   0.011715   0.091627
+    0SOL     H3    3  -0.041930   0.082590  -0.024149
+    1SOL     O4    4  -0.157342   0.228240   0.014172
+    1SOL     H5    5  -0.124596   0.317380   0.026175
+    1SOL     H6    6  -0.212278   0.212316   0.090923
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051601   0.068272   0.042879
+    0SOL     H3    3  -0.017502   0.034557  -0.087531
+    1SOL     O4    4   0.167967   0.201769   0.136540
+    1SOL     H5    5   0.091944   0.244101   0.176425
+    1SOL     H6    6   0.206584   0.150173   0.207314
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086612  -0.005060  -0.040436
+    0SOL     H3    3   0.014973  -0.022843   0.091741
+    1SOL     O4    4   0.244935  -0.065315  -0.091959
+    1SOL     H5    5   0.310361  -0.095397  -0.028896
+    1SOL     H6    6   0.238604  -0.136416  -0.155731
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062326   0.054935  -0.047539
+    0SOL     H3    3   0.078286  -0.000656  -0.055074
+    1SOL     O4    4  -0.135269  -0.225409   0.022606
+    1SOL     H5    5  -0.099768  -0.145570  -0.016481
+    1SOL     H6    6  -0.154175  -0.282305  -0.052012
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035608  -0.049851   0.073548
+    0SOL     H3    3  -0.074625   0.049499  -0.033812
+    1SOL     O4    4   0.052580  -0.061113  -0.270190
+    1SOL     H5    5   0.068362  -0.046994  -0.176841
+    1SOL     H6    6   0.138001  -0.086032  -0.305470
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039043   0.086293  -0.013836
+    0SOL     H3    3  -0.057910  -0.060296  -0.046617
+    1SOL     O4    4  -0.097230   0.246126  -0.000384
+    1SOL     H5    5  -0.140298   0.215536   0.079439
+    1SOL     H6    6  -0.019943   0.293322   0.030624
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038568  -0.074164   0.046632
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+    1SOL     O4    4   0.227676   0.149629   0.042651
+    1SOL     H5    5   0.148463   0.108214   0.008412
+    1SOL     H6    6   0.269050   0.081812   0.096050
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023091   0.037011  -0.085202
+    0SOL     H3    3   0.016205   0.070951   0.062174
+    1SOL     O4    4   0.024349   0.137348   0.226468
+    1SOL     H5    5  -0.068081   0.162223   0.226961
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025051  -0.065611  -0.065038
+    0SOL     H3    3  -0.057739   0.074330  -0.017425
+    1SOL     O4    4  -0.342689  -0.124445   0.029439
+    1SOL     H5    5  -0.287098  -0.078582   0.092436
+    1SOL     H6    6  -0.338290  -0.070977  -0.049833
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003666  -0.034125   0.089355
+    0SOL     H3    3   0.087989   0.033955  -0.016351
+    1SOL     O4    4  -0.121939  -0.327185   0.111643
+    1SOL     H5    5  -0.084628  -0.253977   0.160743
+    1SOL     H6    6  -0.203115  -0.292420   0.074709
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088919  -0.008908   0.034297
+    0SOL     H3    3   0.046375   0.050913   0.066479
+    1SOL     O4    4   0.187549  -0.187212   0.060845
+    1SOL     H5    5   0.149377  -0.262814   0.105449
+    1SOL     H6    6   0.112439  -0.132623   0.037592
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+    6
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+    0SOL     H2    2  -0.082646  -0.043400   0.021176
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+    1SOL     O4    4   0.053826   0.141999   0.219384
+    1SOL     H5    5   0.119920   0.211041   0.224593
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+    6
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+    0SOL     H2    2   0.095390  -0.001952  -0.007694
+    0SOL     H3    3  -0.018435  -0.046258   0.081748
+    1SOL     O4    4  -0.026887  -0.172591  -0.222778
+    1SOL     H5    5  -0.027920  -0.135755  -0.134436
+    1SOL     H6    6  -0.041478  -0.097468  -0.280276
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
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+    1SOL     O4    4   0.101474  -0.247044   0.228874
+    1SOL     H5    5   0.072275  -0.320470   0.282897
+    1SOL     H6    6   0.103854  -0.282188   0.139871
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+    6
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+    0SOL     H2    2  -0.078678   0.050110   0.021471
+    0SOL     H3    3   0.015424  -0.054645   0.077061
+    1SOL     O4    4  -0.057918  -0.111664   0.249226
+    1SOL     H5    5  -0.089196  -0.057476   0.321667
+    1SOL     H6    6  -0.001742  -0.177116   0.290731
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002842  -0.038482  -0.087598
+    0SOL     H3    3  -0.091341   0.020134   0.020343
+    1SOL     O4    4  -0.259358   0.035189   0.098480
+    1SOL     H5    5  -0.291413  -0.040075   0.148179
+    1SOL     H6    6  -0.338615   0.078879   0.067304
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060354   0.071787  -0.019141
+    0SOL     H3    3  -0.014250  -0.019271   0.092671
+    1SOL     O4    4  -0.054855  -0.159217  -0.239802
+    1SOL     H5    5  -0.065603  -0.117882  -0.154138
+    1SOL     H6    6   0.038683  -0.178735  -0.245463
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017355   0.067443  -0.065670
+    0SOL     H3    3  -0.074689  -0.059521  -0.006410
+    1SOL     O4    4  -0.068299   0.130044   0.229871
+    1SOL     H5    5  -0.021748   0.082574   0.161010
+    1SOL     H6    6   0.000949   0.170101   0.282430
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009066  -0.041575  -0.085742
+    0SOL     H3    3  -0.073589   0.060348  -0.010251
+    1SOL     O4    4  -0.052868  -0.152645   0.217982
+    1SOL     H5    5  -0.025614  -0.090815   0.285780
+    1SOL     H6    6  -0.052169  -0.101433   0.137116
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054326   0.059061   0.052180
+    0SOL     H3    3  -0.075269  -0.019105   0.055964
+    1SOL     O4    4   0.263113  -0.193847   0.038424
+    1SOL     H5    5   0.251227  -0.127198   0.106091
+    1SOL     H6    6   0.339955  -0.243387   0.066768
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030345   0.023628   0.087654
+    0SOL     H3    3   0.003553   0.083097  -0.047377
+    1SOL     O4    4   0.022855   0.255908  -0.155425
+    1SOL     H5    5   0.110121   0.241103  -0.191865
+    1SOL     H6    6  -0.028397   0.289714  -0.228860
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/015/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026535  -0.054487   0.074090
+    0SOL     H3    3   0.060120   0.074451   0.002216
+    1SOL     O4    4  -0.108549   0.219569  -0.260233
+    1SOL     H5    5  -0.120480   0.248338  -0.169722
+    1SOL     H6    6  -0.013706   0.219723  -0.273161
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015992   0.068212  -0.065221
+    0SOL     H3    3  -0.055858   0.041974   0.065424
+    1SOL     O4    4  -0.242678   0.080930   0.099881
+    1SOL     H5    5  -0.270949   0.141319   0.031207
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033323  -0.033100  -0.083404
+    0SOL     H3    3   0.070690   0.054844   0.034020
+    1SOL     O4    4  -0.006549  -0.108282   0.267758
+    1SOL     H5    5  -0.001967  -0.038542   0.333161
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088564   0.021405   0.029336
+    0SOL     H3    3   0.030713  -0.065766   0.062401
+    1SOL     O4    4   0.315432  -0.108392   0.039970
+    1SOL     H5    5   0.345834  -0.187979   0.083603
+    1SOL     H6    6   0.235202  -0.134850  -0.005035
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021742   0.047431  -0.080249
+    0SOL     H3    3   0.080122  -0.047371   0.022334
+    1SOL     O4    4   0.064013   0.117476  -0.224527
+    1SOL     H5    5   0.148458   0.162464  -0.227256
+    1SOL     H6    6   0.064146   0.061456  -0.302142
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075987  -0.026137  -0.052011
+    0SOL     H3    3  -0.054815   0.049573  -0.060829
+    1SOL     O4    4  -0.239078  -0.112373  -0.045981
+    1SOL     H5    5  -0.307177  -0.121027   0.020727
+    1SOL     H6    6  -0.162931  -0.079233   0.001619
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091928   0.014290  -0.022525
+    0SOL     H3    3   0.001495  -0.086471   0.041022
+    1SOL     O4    4   0.237984  -0.090334  -0.081679
+    1SOL     H5    5   0.147821  -0.058210  -0.082718
+    1SOL     H6    6   0.254160  -0.119346  -0.171450
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090854  -0.028052   0.010998
+    0SOL     H3    3  -0.033325   0.008962   0.089283
+    1SOL     O4    4  -0.160050   0.321003   0.156193
+    1SOL     H5    5  -0.246708   0.296831   0.123507
+    1SOL     H6    6  -0.175269   0.399551   0.208737
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/023/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083870  -0.017787  -0.042564
+    0SOL     H3    3  -0.013281   0.083242   0.045352
+    1SOL     O4    4   0.247051   0.060321  -0.092134
+    1SOL     H5    5   0.152476   0.045565  -0.091750
+    1SOL     H6    6   0.265420   0.096000  -0.179036
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003900   0.067587   0.067669
+    0SOL     H3    3   0.027024   0.044740  -0.080190
+    1SOL     O4    4   0.041586   0.120718  -0.247973
+    1SOL     H5    5   0.081849   0.079747  -0.324541
+    1SOL     H6    6  -0.029523   0.173847  -0.283793
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076333  -0.055040   0.017499
+    0SOL     H3    3   0.036747   0.085028  -0.024130
+    1SOL     O4    4  -0.251943   0.065618   0.059801
+    1SOL     H5    5  -0.158997   0.042838   0.057687
+    1SOL     H6    6  -0.264475   0.107423   0.144992
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/026/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031334  -0.062378  -0.065494
+    0SOL     H3    3  -0.078049   0.023193   0.050326
+    1SOL     O4    4  -0.135959  -0.183740  -0.146280
+    1SOL     H5    5  -0.188266  -0.116348  -0.189693
+    1SOL     H6    6  -0.115779  -0.246733  -0.215468
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019782   0.080602  -0.047690
+    0SOL     H3    3   0.085622  -0.034682   0.025067
+    1SOL     O4    4  -0.027112   0.246894  -0.162083
+    1SOL     H5    5  -0.042726   0.190282  -0.237671
+    1SOL     H6    6  -0.109385   0.294365  -0.150252
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081139   0.033159  -0.038461
+    0SOL     H3    3  -0.027521  -0.074260   0.053762
+    1SOL     O4    4  -0.209625   0.166819  -0.136546
+    1SOL     H5    5  -0.192851   0.229510  -0.066184
+    1SOL     H6    6  -0.217122   0.220631  -0.215352
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081243   0.041512   0.028959
+    0SOL     H3    3   0.067426   0.066316   0.014774
+    1SOL     O4    4  -0.255398   0.029085   0.068015
+    1SOL     H5    5  -0.332232   0.067488   0.025777
+    1SOL     H6    6  -0.291303  -0.026479   0.137194
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066850  -0.046458  -0.050349
+    0SOL     H3    3   0.038296  -0.067013   0.056612
+    1SOL     O4    4   0.041625   0.209421   0.147923
+    1SOL     H5    5   0.010845   0.132571   0.099871
+    1SOL     H6    6   0.127932   0.227904   0.110885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/031/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058105  -0.072758   0.022190
+    0SOL     H3    3   0.006153   0.059321   0.074870
+    1SOL     O4    4   0.075720   0.063147  -0.255538
+    1SOL     H5    5   0.032206   0.024578  -0.179503
+    1SOL     H6    6   0.084825  -0.009386  -0.317332
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/032/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001250   0.055607   0.077902
+    0SOL     H3    3   0.059923  -0.071705   0.020734
+    1SOL     O4    4   0.176460  -0.182120   0.103198
+    1SOL     H5    5   0.177954  -0.260028   0.158789
+    1SOL     H6    6   0.254257  -0.190485   0.048062
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/033/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026607   0.041377   0.082112
+    0SOL     H3    3  -0.076035  -0.051733  -0.026545
+    1SOL     O4    4   0.275711  -0.095370  -0.150099
+    1SOL     H5    5   0.294932  -0.162158  -0.084279
+    1SOL     H6    6   0.195324  -0.125696  -0.192296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/034/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001254   0.006072   0.095519
+    0SOL     H3    3   0.091708  -0.012382  -0.024466
+    1SOL     O4    4   0.264935  -0.031068  -0.059102
+    1SOL     H5    5   0.280432   0.018127  -0.139737
+    1SOL     H6    6   0.263881   0.035421   0.009748
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/035/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001902  -0.039176   0.087315
+    0SOL     H3    3   0.092792   0.001954  -0.023411
+    1SOL     O4    4  -0.286015  -0.137915  -0.001781
+    1SOL     H5    5  -0.229109  -0.206278   0.033582
+    1SOL     H6    6  -0.356181  -0.185632  -0.046076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/036/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080040  -0.033304   0.040580
+    0SOL     H3    3   0.029877   0.043422  -0.079902
+    1SOL     O4    4  -0.091355   0.103502   0.231964
+    1SOL     H5    5  -0.181195   0.133894   0.244902
+    1SOL     H6    6  -0.082895   0.093284   0.137167
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067521   0.065198  -0.018773
+    0SOL     H3    3  -0.039183  -0.056682   0.066439
+    1SOL     O4    4  -0.204684   0.201520  -0.055064
+    1SOL     H5    5  -0.279664   0.148528  -0.028003
+    1SOL     H6    6  -0.184231   0.255075   0.021590
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062072   0.072805  -0.002962
+    0SOL     H3    3  -0.016835  -0.049175  -0.080378
+    1SOL     O4    4  -0.313750  -0.154364   0.024032
+    1SOL     H5    5  -0.239055  -0.195944   0.067090
+    1SOL     H6    6  -0.278857  -0.122724  -0.059296
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081786  -0.047446  -0.014904
+    0SOL     H3    3  -0.068248  -0.066587  -0.008407
+    1SOL     O4    4  -0.003675   0.151715  -0.236830
+    1SOL     H5    5  -0.034218   0.114155  -0.154255
+    1SOL     H6    6   0.089741   0.167344  -0.222987
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071509  -0.063233   0.007100
+    0SOL     H3    3  -0.031146   0.064411  -0.063589
+    1SOL     O4    4  -0.326177   0.150867   0.038466
+    1SOL     H5    5  -0.356911   0.121946   0.124381
+    1SOL     H6    6  -0.377381   0.229582   0.019909
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025843   0.045694  -0.080041
+    0SOL     H3    3   0.081466   0.042574   0.026702
+    1SOL     O4    4  -0.095059   0.148206  -0.191633
+    1SOL     H5    5  -0.171312   0.099936  -0.223536
+    1SOL     H6    6  -0.130643   0.209463  -0.127262
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095080   0.010812   0.002295
+    0SOL     H3    3   0.017827  -0.037376  -0.086299
+    1SOL     O4    4   0.381337  -0.151809   0.019155
+    1SOL     H5    5   0.468551  -0.191052   0.015148
+    1SOL     H6    6   0.321311  -0.226260   0.015106
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066675   0.005178  -0.068483
+    0SOL     H3    3   0.077799  -0.033312  -0.044721
+    1SOL     O4    4   0.267727  -0.072408  -0.066160
+    1SOL     H5    5   0.277856  -0.121665  -0.147606
+    1SOL     H6    6   0.338404  -0.007887  -0.068187
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+    6
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+    1SOL     O4    4  -0.214952  -0.162048  -0.061813
+    1SOL     H5    5  -0.292259  -0.122312  -0.021726
+    1SOL     H6    6  -0.144042  -0.100430  -0.043447
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+    6
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+    0SOL     H2    2  -0.095215   0.005251  -0.008304
+    0SOL     H3    3   0.015130  -0.077443   0.054185
+    1SOL     O4    4  -0.035050   0.199396  -0.235058
+    1SOL     H5    5   0.056991   0.176113  -0.247250
+    1SOL     H6    6  -0.039210   0.235175  -0.146374
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+    6
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+    0SOL     H2    2   0.057756  -0.051340  -0.056487
+    0SOL     H3    3  -0.055821   0.048670  -0.060643
+    1SOL     O4    4  -0.018230  -0.121914   0.256919
+    1SOL     H5    5  -0.019861  -0.047631   0.317265
+    1SOL     H6    6  -0.001118  -0.082847   0.171226
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014250   0.028595  -0.090231
+    0SOL     H3    3   0.072006  -0.060549   0.017641
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+    1SOL     H5    5   0.174260  -0.251337   0.142562
+    1SOL     H6    6   0.278181  -0.197423   0.046579
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+    6
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+    0SOL     H2    2   0.024150  -0.047770  -0.079354
+    0SOL     H3    3   0.072641   0.060608   0.014570
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+    1SOL     H6    6  -0.104502  -0.354656   0.126984
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+    6
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+    0SOL     H2    2   0.089837   0.027670  -0.018053
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+    1SOL     H5    5   0.311166   0.112445   0.005581
+    1SOL     H6    6   0.228842   0.141008  -0.118216
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+    6
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+    0SOL     H2    2  -0.091194   0.026169  -0.012690
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+    1SOL     H5    5  -0.094509  -0.410309  -0.027396
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+    6
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+    0SOL     H2    2   0.089645  -0.028268  -0.018083
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+    1SOL     H5    5   0.330736  -0.113766  -0.037584
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+    6
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+    0SOL     H2    2  -0.027420  -0.046716  -0.078919
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+    1SOL     H5    5  -0.195770  -0.172360   0.039504
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+    6
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+    0SOL     H2    2   0.008391   0.076260  -0.057239
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+    6
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+    1SOL     H5    5  -0.119112  -0.197625  -0.181552
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+    6
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+    0SOL     H2    2  -0.078136   0.053403   0.014325
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+    1SOL     O4    4  -0.264814   0.022247   0.006781
+    1SOL     H5    5  -0.266264  -0.012030   0.096141
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+    6
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+    0SOL     H2    2   0.038273   0.041514  -0.077292
+    0SOL     H3    3   0.072254  -0.049099   0.039127
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+    1SOL     H5    5  -0.131480  -0.255503  -0.118078
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092764   0.023010   0.005259
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+    1SOL     O4    4   0.026230  -0.165471   0.202000
+    1SOL     H5    5   0.024803  -0.104499   0.275774
+    1SOL     H6    6   0.092248  -0.230528   0.225907
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+    6
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+    0SOL     H3    3  -0.026428   0.068937  -0.060922
+    1SOL     O4    4   0.060161   0.232779  -0.146236
+    1SOL     H5    5   0.013105   0.274957  -0.218132
+    1SOL     H6    6   0.075497   0.303062  -0.083090
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068693  -0.048058  -0.046196
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+    1SOL     H5    5   0.124541  -0.220444   0.223458
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029528   0.086732  -0.027711
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+    1SOL     H5    5  -0.191429   0.047023   0.076268
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+    6
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+    1SOL     H5    5  -0.022113   0.066870   0.157363
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.041348   0.051308   0.069427
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+    1SOL     H5    5  -0.133065  -0.089806  -0.086304
+    1SOL     H6    6  -0.237216  -0.114192  -0.193434
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+    6
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+    0SOL     H2    2   0.056664   0.027552  -0.072058
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+    1SOL     O4    4   0.074189   0.071929  -0.243441
+    1SOL     H5    5   0.054174   0.021876  -0.322539
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+    6
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+    0SOL     H2    2   0.076766   0.040263   0.040598
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+    1SOL     H5    5  -0.174905   0.159543   0.237367
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+    6
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+    0SOL     H2    2   0.076584   0.022494   0.052832
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+    1SOL     H5    5   0.047850  -0.291416  -0.178673
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068056   0.058293  -0.033655
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+    1SOL     H5    5   0.044824  -0.084926  -0.150182
+    1SOL     H6    6   0.168605  -0.113056  -0.232681
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094454  -0.014633  -0.005150
+    0SOL     H3    3  -0.018111   0.064229  -0.068621
+    1SOL     O4    4  -0.046329   0.168457  -0.205564
+    1SOL     H5    5  -0.100216   0.247139  -0.213787
+    1SOL     H6    6   0.041697   0.196988  -0.230056
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077213   0.022015   0.052114
+    0SOL     H3    3   0.015971   0.077877  -0.053315
+    1SOL     O4    4   0.190706  -0.207598   0.031273
+    1SOL     H5    5   0.269567  -0.156097   0.014218
+    1SOL     H6    6   0.120025  -0.143104   0.033897
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007042   0.029482  -0.090794
+    0SOL     H3    3   0.009363   0.080616   0.050751
+    1SOL     O4    4   0.156102  -0.206712   0.055637
+    1SOL     H5    5   0.102859  -0.127393   0.049646
+    1SOL     H6    6   0.244488  -0.178084   0.032605
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/070/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026337   0.053153   0.075123
+    0SOL     H3    3  -0.093476   0.017791  -0.010395
+    1SOL     O4    4   0.011418   0.092917  -0.278874
+    1SOL     H5    5   0.016055   0.021814  -0.214959
+    1SOL     H6    6  -0.071486   0.136850  -0.259926
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003428   0.057545  -0.076415
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+    1SOL     O4    4  -0.162626  -0.182777  -0.104011
+    1SOL     H5    5  -0.085018  -0.141768  -0.065834
+    1SOL     H6    6  -0.129520  -0.230773  -0.179923
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091212  -0.021748  -0.019231
+    0SOL     H3    3  -0.003027   0.090251   0.031748
+    1SOL     O4    4   0.021285   0.299574  -0.175875
+    1SOL     H5    5   0.076573   0.345284  -0.112502
+    1SOL     H6    6  -0.002225   0.366646  -0.239991
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012765  -0.068340  -0.065795
+    0SOL     H3    3  -0.005037  -0.046076   0.083749
+    1SOL     O4    4  -0.178338   0.202404  -0.069181
+    1SOL     H5    5  -0.169243   0.263292   0.004114
+    1SOL     H6    6  -0.114750   0.133221  -0.050940
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091317  -0.019447   0.021101
+    0SOL     H3    3   0.002872   0.085909  -0.042115
+    1SOL     O4    4  -0.240113   0.066272   0.123421
+    1SOL     H5    5  -0.149292   0.065288   0.093206
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005312   0.068953   0.066179
+    0SOL     H3    3   0.033904   0.044074  -0.077912
+    1SOL     O4    4   0.000392   0.157411   0.219458
+    1SOL     H5    5   0.025872   0.099698   0.291446
+    1SOL     H6    6  -0.075828   0.204896   0.252594
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089177  -0.026970   0.021964
+    0SOL     H3    3   0.050693  -0.081180   0.001550
+    1SOL     O4    4   0.018153   0.216368   0.181563
+    1SOL     H5    5   0.033122   0.168247   0.100183
+    1SOL     H6    6   0.095050   0.272639   0.190661
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039236  -0.080283  -0.034314
+    0SOL     H3    3   0.068053   0.038176   0.055442
+    1SOL     O4    4  -0.007323  -0.245736  -0.168248
+    1SOL     H5    5   0.067957  -0.304156  -0.159183
+    1SOL     H6    6   0.001624  -0.208496  -0.255972
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069997  -0.051736  -0.039825
+    0SOL     H3    3   0.058946  -0.064909   0.038399
+    1SOL     O4    4   0.311024   0.084367   0.051042
+    1SOL     H5    5   0.298528   0.058769   0.142425
+    1SOL     H6    6   0.321987   0.001604   0.004220
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000062  -0.047280   0.083228
+    0SOL     H3    3   0.090610   0.028684  -0.011373
+    1SOL     O4    4   0.133825   0.232319  -0.272791
+    1SOL     H5    5   0.128938   0.289149  -0.349660
+    1SOL     H6    6   0.054588   0.178817  -0.277424
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032228  -0.061187   0.066180
+    0SOL     H3    3   0.066507   0.051690   0.045467
+    1SOL     O4    4  -0.128791   0.151573  -0.186143
+    1SOL     H5    5  -0.104012   0.102591  -0.107727
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+    6
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+    0SOL     H2    2  -0.004606  -0.075540   0.058607
+    0SOL     H3    3  -0.089204   0.034680  -0.001506
+    1SOL     O4    4   0.280741  -0.207395   0.024221
+    1SOL     H5    5   0.343358  -0.278903   0.035535
+    1SOL     H6    6   0.199097  -0.250705  -0.000695
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062881   0.072019  -0.004644
+    0SOL     H3    3   0.085613   0.042804  -0.000787
+    1SOL     O4    4   0.275105  -0.000519  -0.021716
+    1SOL     H5    5   0.276227  -0.045943  -0.105965
+    1SOL     H6    6   0.273947  -0.070695   0.043371
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015845   0.064375  -0.069045
+    0SOL     H3    3  -0.094218  -0.016479  -0.003716
+    1SOL     O4    4   0.197598  -0.178348   0.054056
+    1SOL     H5    5   0.130676  -0.111997   0.037284
+    1SOL     H6    6   0.165825  -0.256463   0.008771
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028053  -0.059314  -0.069693
+    0SOL     H3    3  -0.019019  -0.057427   0.074180
+    1SOL     O4    4  -0.150752  -0.302279   0.021859
+    1SOL     H5    5  -0.155120  -0.351360   0.103922
+    1SOL     H6    6  -0.057511  -0.284565   0.009424
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+    6
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+    0SOL     H2    2   0.082787  -0.009187   0.047161
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+    1SOL     H5    5   0.276041   0.028253   0.182782
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+    6
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+    0SOL     H2    2  -0.067679  -0.047987  -0.047741
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+    1SOL     O4    4   0.257425   0.020332  -0.077847
+    1SOL     H5    5   0.275137   0.086727  -0.011212
+    1SOL     H6    6   0.264172   0.067343  -0.160955
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+    6
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+    0SOL     H2    2   0.068635   0.049777   0.044427
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+    1SOL     H5    5   0.012993  -0.166590  -0.295883
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+    6
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+    0SOL     H2    2  -0.026600   0.003190  -0.091895
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+    1SOL     H5    5   0.129454   0.281147   0.188241
+    1SOL     H6    6  -0.009376   0.221911   0.199913
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051466  -0.056007   0.058110
+    0SOL     H3    3  -0.074932   0.027157   0.053009
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+    1SOL     H5    5  -0.080405   0.310702   0.142997
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+    6
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+    0SOL     H2    2  -0.054294   0.033009  -0.071588
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+    1SOL     O4    4   0.136810  -0.348374  -0.041771
+    1SOL     H5    5   0.201802  -0.286107  -0.009196
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039728   0.030734   0.081483
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+    1SOL     H5    5  -0.178605  -0.169311  -0.214391
+    1SOL     H6    6  -0.076275  -0.162413  -0.103035
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+    6
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+    0SOL     H2    2   0.093044  -0.020649  -0.008871
+    0SOL     H3    3  -0.005883   0.049677   0.081608
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+    1SOL     H5    5  -0.017191   0.069450   0.340581
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+    6
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+    0SOL     H2    2   0.024251   0.056801   0.073129
+    0SOL     H3    3   0.050987  -0.079844   0.013696
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+    1SOL     H5    5  -0.396558  -0.074484  -0.024777
+    1SOL     H6    6  -0.248649  -0.075048   0.007499
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080554   0.028519  -0.043128
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+    1SOL     H5    5   0.048653  -0.250797   0.180258
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091865  -0.004792   0.026462
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+    1SOL     O4    4  -0.256439   0.010873   0.061363
+    1SOL     H5    5  -0.261451   0.078114  -0.006578
+    1SOL     H6    6  -0.273164   0.057957   0.143007
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035484  -0.073457   0.050073
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+    1SOL     O4    4  -0.043567   0.231189   0.156970
+    1SOL     H5    5  -0.120372   0.284103   0.135445
+    1SOL     H6    6  -0.040729   0.164133   0.088723
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+    6
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+    0SOL     H2    2  -0.042865  -0.084621   0.012813
+    0SOL     H3    3  -0.017119   0.048080   0.080979
+    1SOL     O4    4   0.006418   0.235969  -0.132576
+    1SOL     H5    5  -0.051099   0.258271  -0.205765
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085646   0.041105   0.011728
+    0SOL     H3    3   0.055970   0.070202  -0.033187
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+    1SOL     H5    5  -0.283167   0.029702   0.160917
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092084   0.023050  -0.012309
+    0SOL     H3    3   0.025010   0.043722   0.081396
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+    1SOL     H5    5   0.025525  -0.042183  -0.310371
+    1SOL     H6    6   0.033766  -0.184615  -0.361010
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+    6
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+    0SOL     H2    2   0.009275   0.076403   0.056911
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+    1SOL     H5    5   0.157974  -0.010491  -0.062470
+    1SOL     H6    6   0.281264   0.066921  -0.020924
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087552  -0.033618  -0.019153
+    0SOL     H3    3   0.041227  -0.068800   0.052243
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+    1SOL     H5    5  -0.276889  -0.126582  -0.061195
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080345  -0.018458   0.048645
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+    1SOL     H5    5   0.238157  -0.210288   0.062320
+    1SOL     H6    6   0.120026  -0.300470   0.033491
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009160  -0.071930   0.062486
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+    1SOL     H5    5  -0.002540   0.255927  -0.170316
+    1SOL     H6    6   0.108020   0.344487  -0.223727
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
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+    0SOL     H3    3  -0.066883   0.032965  -0.060019
+    1SOL     O4    4  -0.224111   0.056878  -0.164544
+    1SOL     H5    5  -0.253232   0.118634  -0.231630
+    1SOL     H6    6  -0.305078   0.022831  -0.126497
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085458  -0.041465  -0.011830
+    0SOL     H3    3   0.040736  -0.003868  -0.086533
+    1SOL     O4    4   0.263623   0.027279   0.232872
+    1SOL     H5    5   0.339297   0.080368   0.208027
+    1SOL     H6    6   0.258937  -0.040749   0.165696
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093901  -0.013213   0.013050
+    0SOL     H3    3   0.006354   0.046074  -0.083661
+    1SOL     O4    4   0.175292  -0.203846   0.011964
+    1SOL     H5    5   0.116616  -0.129322   0.024831
+    1SOL     H6    6   0.260321  -0.173159   0.043439
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088345   0.020033  -0.030923
+    0SOL     H3    3  -0.024249   0.075349   0.053822
+    1SOL     O4    4   0.264824   0.071086  -0.035142
+    1SOL     H5    5   0.322197   0.107978   0.032012
+    1SOL     H6    6   0.277535   0.127670  -0.111294
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092753  -0.016434   0.017005
+    0SOL     H3    3   0.015874  -0.038837  -0.086035
+    1SOL     O4    4   0.100835   0.214273   0.336021
+    1SOL     H5    5   0.101240   0.284907   0.400619
+    1SOL     H6    6   0.145377   0.141625   0.379616
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088000  -0.037514   0.003318
+    0SOL     H3    3   0.011016   0.027338  -0.091069
+    1SOL     O4    4  -0.214427  -0.149430  -0.127931
+    1SOL     H5    5  -0.284834  -0.163199  -0.191300
+    1SOL     H6    6  -0.187156  -0.237676  -0.102806
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076639  -0.014989  -0.055354
+    0SOL     H3    3  -0.008221   0.091098   0.028212
+    1SOL     O4    4  -0.009164  -0.153895   0.222652
+    1SOL     H5    5  -0.048919  -0.228864   0.178363
+    1SOL     H6    6  -0.000168  -0.087588   0.154207
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004692  -0.063133  -0.071795
+    0SOL     H3    3   0.090653   0.010131   0.029012
+    1SOL     O4    4  -0.266222  -0.021110   0.073527
+    1SOL     H5    5  -0.178667  -0.030357   0.035966
+    1SOL     H6    6  -0.315773   0.027087   0.007315
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055163   0.066099  -0.041837
+    0SOL     H3    3   0.056976  -0.041187   0.064959
+    1SOL     O4    4   0.282526  -0.124343   0.005405
+    1SOL     H5    5   0.331705  -0.204315   0.024065
+    1SOL     H6    6   0.293739  -0.070452   0.083715
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058041   0.056719  -0.050760
+    0SOL     H3    3   0.083593   0.046600   0.001743
+    1SOL     O4    4  -0.059782  -0.170640   0.182963
+    1SOL     H5    5   0.030831  -0.201208   0.178805
+    1SOL     H6    6  -0.066983  -0.107143   0.111699
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060582   0.062860   0.039252
+    0SOL     H3    3   0.062068   0.053897  -0.049040
+    1SOL     O4    4   0.154632  -0.166449   0.201851
+    1SOL     H5    5   0.123566  -0.202014   0.285112
+    1SOL     H6    6   0.095890  -0.093090   0.183679
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074838  -0.018936   0.056595
+    0SOL     H3    3  -0.001157  -0.069811  -0.065478
+    1SOL     O4    4   0.114919  -0.031025   0.289869
+    1SOL     H5    5   0.067790  -0.105139   0.251813
+    1SOL     H6    6   0.048086   0.036511   0.301471
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043051  -0.085170   0.007417
+    0SOL     H3    3   0.093151  -0.019168   0.010856
+    1SOL     O4    4  -0.212892   0.082336   0.177974
+    1SOL     H5    5  -0.137600   0.076664   0.119141
+    1SOL     H6    6  -0.230866   0.176092   0.184978
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066210   0.066455  -0.019034
+    0SOL     H3    3  -0.027558  -0.038151   0.083351
+    1SOL     O4    4   0.006026  -0.138135  -0.235250
+    1SOL     H5    5  -0.015773  -0.071622  -0.300543
+    1SOL     H6    6  -0.001828  -0.092832  -0.151296
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026958  -0.027484  -0.087637
+    0SOL     H3    3  -0.088345   0.034869  -0.011899
+    1SOL     O4    4   0.050042   0.011063  -0.265146
+    1SOL     H5    5   0.012060   0.096861  -0.284075
+    1SOL     H6    6   0.140162   0.029953  -0.238993
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/119/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008748   0.016376  -0.093902
+    0SOL     H3    3  -0.012648   0.085757   0.040597
+    1SOL     O4    4   0.133689   0.383025  -0.045967
+    1SOL     H5    5   0.107036   0.337376   0.033833
+    1SOL     H6    6   0.183223   0.317807  -0.095517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/120/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034456   0.051274   0.073117
+    0SOL     H3    3   0.008763  -0.091025   0.028285
+    1SOL     O4    4   0.256611   0.091049   0.138158
+    1SOL     H5    5   0.206760   0.172681   0.134496
+    1SOL     H6    6   0.320015   0.104786   0.208539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/121/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045848   0.084015   0.001345
+    0SOL     H3    3   0.091999   0.022645   0.013626
+    1SOL     O4    4   0.168948   0.232664  -0.172664
+    1SOL     H5    5   0.256615   0.205947  -0.200286
+    1SOL     H6    6   0.138698   0.291183  -0.242111
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/122/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002255   0.068695   0.066620
+    0SOL     H3    3  -0.010179   0.046670  -0.082950
+    1SOL     O4    4  -0.060030   0.079027  -0.255049
+    1SOL     H5    5  -0.139152   0.132842  -0.257490
+    1SOL     H6    6  -0.084146  -0.001215  -0.301330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/123/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066474  -0.068337  -0.008581
+    0SOL     H3    3   0.046017   0.073227   0.041019
+    1SOL     O4    4   0.131265   0.057605   0.298315
+    1SOL     H5    5   0.216702   0.016814   0.284209
+    1SOL     H6    6   0.069504  -0.015524   0.298562
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/124/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066061   0.045002  -0.052661
+    0SOL     H3    3  -0.046660  -0.073934   0.038974
+    1SOL     O4    4  -0.192223   0.130769  -0.110978
+    1SOL     H5    5  -0.265175   0.086494  -0.154338
+    1SOL     H6    6  -0.233800   0.196389  -0.055052
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/125/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060041   0.028166  -0.069022
+    0SOL     H3    3   0.016853  -0.092282  -0.019036
+    1SOL     O4    4   0.174963   0.003629   0.233372
+    1SOL     H5    5   0.139433   0.039223   0.151928
+    1SOL     H6    6   0.257316   0.050694   0.246220
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/126/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000399   0.005110  -0.095583
+    0SOL     H3    3  -0.065553   0.064002   0.027728
+    1SOL     O4    4  -0.060140   0.010359  -0.260267
+    1SOL     H5    5  -0.050595  -0.079118  -0.292904
+    1SOL     H6    6  -0.131549   0.047350  -0.312179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/127/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056653   0.028126  -0.071845
+    0SOL     H3    3   0.086284  -0.010367  -0.040124
+    1SOL     O4    4  -0.015397  -0.288741  -0.214784
+    1SOL     H5    5   0.005329  -0.309477  -0.305904
+    1SOL     H6    6  -0.104001  -0.322633  -0.202015
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/128/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059716   0.055468  -0.050196
+    0SOL     H3    3  -0.052001  -0.077202   0.022318
+    1SOL     O4    4  -0.097478  -0.095318  -0.301424
+    1SOL     H5    5  -0.038632  -0.033627  -0.257908
+    1SOL     H6    6  -0.072940  -0.180848  -0.266142
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/129/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071279  -0.046790  -0.043501
+    0SOL     H3    3  -0.043204   0.071575   0.046612
+    1SOL     O4    4  -0.015236   0.219428   0.148220
+    1SOL     H5    5   0.076511   0.246507   0.151601
+    1SOL     H6    6  -0.030101   0.174567   0.231460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/130/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084760  -0.043750  -0.008002
+    0SOL     H3    3  -0.064285  -0.070225  -0.009910
+    1SOL     O4    4  -0.137427   0.108157  -0.205868
+    1SOL     H5    5  -0.077273   0.065138  -0.145096
+    1SOL     H6    6  -0.080673   0.158677  -0.264084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/131/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082385  -0.043839   0.021286
+    0SOL     H3    3  -0.027236  -0.039094  -0.083019
+    1SOL     O4    4  -0.143302  -0.153713   0.252725
+    1SOL     H5    5  -0.115517  -0.185288   0.338709
+    1SOL     H6    6  -0.238930  -0.153700   0.256914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/132/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079283  -0.036570  -0.039231
+    0SOL     H3    3   0.020128   0.006290   0.093368
+    1SOL     O4    4   0.066328   0.242090  -0.097974
+    1SOL     H5    5   0.160674   0.258066  -0.095539
+    1SOL     H6    6   0.056353   0.152360  -0.066173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/133/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015827   0.092379   0.019441
+    0SOL     H3    3  -0.030622  -0.011173  -0.089999
+    1SOL     O4    4   0.001504  -0.083410  -0.256889
+    1SOL     H5    5   0.073637  -0.141575  -0.232890
+    1SOL     H6    6  -0.061053  -0.140105  -0.301995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/134/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085792   0.041566   0.008621
+    0SOL     H3    3  -0.019353  -0.093280  -0.009304
+    1SOL     O4    4   0.218108   0.174552  -0.208821
+    1SOL     H5    5   0.301618   0.163608  -0.163339
+    1SOL     H6    6   0.200922   0.089081  -0.248340
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/135/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036216   0.065337  -0.059848
+    0SOL     H3    3  -0.035048   0.023989   0.085781
+    1SOL     O4    4  -0.148341   0.164913  -0.140493
+    1SOL     H5    5  -0.232200   0.120920  -0.154438
+    1SOL     H6    6  -0.156699   0.247932  -0.187402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/136/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037565   0.026339   0.084009
+    0SOL     H3    3   0.094628   0.002386   0.014221
+    1SOL     O4    4   0.006788   0.194562  -0.204523
+    1SOL     H5    5   0.087212   0.176849  -0.253314
+    1SOL     H6    6  -0.006963   0.116005  -0.151588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/137/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075398   0.004660  -0.058785
+    0SOL     H3    3   0.073523   0.031208  -0.052751
+    1SOL     O4    4  -0.006490  -0.236512   0.121388
+    1SOL     H5    5  -0.000632  -0.162963   0.060408
+    1SOL     H6    6  -0.074742  -0.210883   0.183413
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/138/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024582   0.088883   0.025647
+    0SOL     H3    3  -0.075959  -0.033004  -0.047993
+    1SOL     O4    4   0.241478  -0.110010  -0.020380
+    1SOL     H5    5   0.166888  -0.050914  -0.030694
+    1SOL     H6    6   0.301287  -0.085727  -0.091060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/139/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067879   0.007096   0.067115
+    0SOL     H3    3   0.048022  -0.017378  -0.080958
+    1SOL     O4    4   0.364765   0.041821   0.027408
+    1SOL     H5    5   0.450037   0.032967   0.069982
+    1SOL     H6    6   0.378633   0.107716  -0.040621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/140/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059584   0.059474   0.045551
+    0SOL     H3    3  -0.057135  -0.066670  -0.038119
+    1SOL     O4    4  -0.250210   0.043840   0.209698
+    1SOL     H5    5  -0.209242  -0.042306   0.201766
+    1SOL     H6    6  -0.216599   0.078895   0.292184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/141/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093725   0.019161  -0.003273
+    0SOL     H3    3  -0.041326   0.074932  -0.042891
+    1SOL     O4    4   0.163149   0.184194  -0.177567
+    1SOL     H5    5   0.143378   0.199190  -0.270015
+    1SOL     H6    6   0.199417   0.095654  -0.174838
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/142/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062906   0.041301   0.059156
+    0SOL     H3    3  -0.016715  -0.085854   0.038884
+    1SOL     O4    4  -0.192832   0.126850  -0.134965
+    1SOL     H5    5  -0.225229   0.208509  -0.096958
+    1SOL     H6    6  -0.127091   0.095818  -0.072695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/143/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008081   0.091094   0.028264
+    0SOL     H3    3  -0.015727   0.002671  -0.094381
+    1SOL     O4    4   0.158590  -0.237786  -0.071107
+    1SOL     H5    5   0.224069  -0.304530  -0.050612
+    1SOL     H6    6   0.137842  -0.197790   0.013345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/144/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066035  -0.039002  -0.057276
+    0SOL     H3    3  -0.003718  -0.052356   0.080046
+    1SOL     O4    4  -0.031405   0.167810   0.290359
+    1SOL     H5    5  -0.035057   0.189651   0.383483
+    1SOL     H6    6  -0.015714   0.073404   0.288449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/145/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072424  -0.014839   0.060802
+    0SOL     H3    3  -0.022094  -0.087190  -0.032743
+    1SOL     O4    4  -0.176875   0.198593  -0.104578
+    1SOL     H5    5  -0.109635   0.140857  -0.068417
+    1SOL     H6    6  -0.222055   0.144960  -0.169727
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/146/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021062  -0.009316   0.092908
+    0SOL     H3    3  -0.075570  -0.057217  -0.013331
+    1SOL     O4    4  -0.156879   0.286581   0.060848
+    1SOL     H5    5  -0.131110   0.238925   0.139761
+    1SOL     H6    6  -0.211170   0.224651   0.012068
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/147/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081823   0.048306   0.011567
+    0SOL     H3    3  -0.064918   0.050742   0.048715
+    1SOL     O4    4  -0.049187  -0.170421   0.193577
+    1SOL     H5    5  -0.031435  -0.102433   0.128579
+    1SOL     H6    6  -0.080367  -0.122609   0.270415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/148/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037725  -0.055833   0.067984
+    0SOL     H3    3  -0.059449  -0.057580  -0.048090
+    1SOL     O4    4   0.214799   0.112623  -0.132212
+    1SOL     H5    5   0.126457   0.092785  -0.101155
+    1SOL     H6    6   0.202256   0.180578  -0.198448
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/149/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095713   0.000893   0.000788
+    0SOL     H3    3   0.024464   0.083961  -0.038914
+    1SOL     O4    4   0.025112   0.139656   0.228188
+    1SOL     H5    5   0.025378   0.092063   0.145139
+    1SOL     H6    6   0.020563   0.231885   0.202980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/150/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073976   0.058447   0.016546
+    0SOL     H3    3   0.039015  -0.076945  -0.041468
+    1SOL     O4    4   0.179474   0.190156   0.029746
+    1SOL     H5    5   0.157319   0.248474   0.102344
+    1SOL     H6    6   0.263352   0.151439   0.054802
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/151/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011985  -0.094962  -0.000971
+    0SOL     H3    3  -0.087468   0.012776   0.036721
+    1SOL     O4    4   0.175272   0.134924   0.189182
+    1SOL     H5    5   0.145326   0.059828   0.137935
+    1SOL     H6    6   0.268344   0.118243   0.204065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/152/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004467   0.058133   0.075914
+    0SOL     H3    3   0.062458   0.037088  -0.062336
+    1SOL     O4    4  -0.057955  -0.312229   0.145592
+    1SOL     H5    5  -0.071626  -0.406709   0.152588
+    1SOL     H6    6  -0.005435  -0.289826   0.222417
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/153/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092537   0.023587  -0.006551
+    0SOL     H3    3  -0.022628  -0.032789  -0.087035
+    1SOL     O4    4   0.074024  -0.054562  -0.278343
+    1SOL     H5    5   0.155405  -0.005184  -0.268282
+    1SOL     H6    6   0.012514   0.008067  -0.316505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/154/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037530  -0.034347  -0.081081
+    0SOL     H3    3  -0.090951   0.019924  -0.022208
+    1SOL     O4    4   0.188036  -0.199175  -0.134532
+    1SOL     H5    5   0.220142  -0.289140  -0.128385
+    1SOL     H6    6   0.243210  -0.149806  -0.073862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/155/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003959   0.007503   0.095343
+    0SOL     H3    3  -0.084896   0.037443  -0.023516
+    1SOL     O4    4  -0.164232   0.173650   0.193436
+    1SOL     H5    5  -0.238287   0.230006   0.215844
+    1SOL     H6    6  -0.190972   0.086338   0.222139
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/156/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087488  -0.001387   0.038811
+    0SOL     H3    3   0.047332   0.066581   0.049889
+    1SOL     O4    4   0.007371  -0.014463   0.331649
+    1SOL     H5    5  -0.039969   0.058307   0.291328
+    1SOL     H6    6   0.099633   0.009988   0.324428
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/157/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095533   0.002023  -0.005630
+    0SOL     H3    3   0.028888   0.071751  -0.056388
+    1SOL     O4    4   0.238134   0.104329  -0.156850
+    1SOL     H5    5   0.242523   0.199223  -0.168597
+    1SOL     H6    6   0.321318   0.081404  -0.115410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/158/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020333   0.093031  -0.009706
+    0SOL     H3    3   0.026103  -0.009430   0.091608
+    1SOL     O4    4  -0.326761  -0.094249   0.103953
+    1SOL     H5    5  -0.279372  -0.066854   0.025428
+    1SOL     H6    6  -0.309720  -0.024895   0.167686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/159/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023938  -0.006370  -0.092459
+    0SOL     H3    3   0.051690  -0.078773   0.016890
+    1SOL     O4    4  -0.031989  -0.065351  -0.279556
+    1SOL     H5    5  -0.104590  -0.005933  -0.298556
+    1SOL     H6    6   0.042131  -0.028918  -0.327942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/160/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047125   0.026693  -0.078924
+    0SOL     H3    3  -0.066573  -0.000235   0.068777
+    1SOL     O4    4  -0.105177  -0.064127   0.239169
+    1SOL     H5    5  -0.181595  -0.006521   0.241211
+    1SOL     H6    6  -0.139199  -0.150023   0.264205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/161/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069322  -0.047043   0.046300
+    0SOL     H3    3   0.038418   0.057422   0.066250
+    1SOL     O4    4   0.135677   0.164533   0.196651
+    1SOL     H5    5   0.073803   0.138482   0.264880
+    1SOL     H6    6   0.121268   0.258539   0.185809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/162/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051810  -0.043192   0.067915
+    0SOL     H3    3   0.046415  -0.019246  -0.081471
+    1SOL     O4    4  -0.291446  -0.038191   0.198560
+    1SOL     H5    5  -0.239121   0.000299   0.268866
+    1SOL     H6    6  -0.317263   0.036323   0.144306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/163/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047762  -0.065528   0.050864
+    0SOL     H3    3   0.039649   0.083431   0.025090
+    1SOL     O4    4   0.156707   0.113137  -0.301183
+    1SOL     H5    5   0.199900   0.111428  -0.386586
+    1SOL     H6    6   0.063639   0.122421  -0.321541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/164/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051086  -0.080030  -0.012155
+    0SOL     H3    3  -0.091121  -0.028302  -0.007638
+    1SOL     O4    4   0.169631  -0.200822  -0.030220
+    1SOL     H5    5   0.141790  -0.289971  -0.009251
+    1SOL     H6    6   0.249854  -0.188190   0.020446
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/165/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089806   0.031291  -0.010867
+    0SOL     H3    3  -0.024904  -0.032044  -0.086691
+    1SOL     O4    4   0.067268  -0.247020   0.127056
+    1SOL     H5    5   0.020335  -0.314473   0.077966
+    1SOL     H6    6   0.030882  -0.164432   0.095157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/166/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032867   0.043081  -0.078906
+    0SOL     H3    3  -0.090139   0.031059   0.008524
+    1SOL     O4    4  -0.237703   0.145748  -0.064092
+    1SOL     H5    5  -0.324136   0.107222  -0.049692
+    1SOL     H6    6  -0.215494   0.121905  -0.154096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/167/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075996  -0.039050   0.043151
+    0SOL     H3    3  -0.034212   0.078843  -0.042139
+    1SOL     O4    4  -0.257697  -0.063941   0.084565
+    1SOL     H5    5  -0.258614  -0.137195   0.146171
+    1SOL     H6    6  -0.307692  -0.095325   0.009214
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/168/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013993  -0.017890  -0.092986
+    0SOL     H3    3   0.070678  -0.059311   0.025479
+    1SOL     O4    4   0.001013  -0.077181  -0.279453
+    1SOL     H5    5  -0.019106  -0.162921  -0.316953
+    1SOL     H6    6  -0.028402  -0.014556  -0.345599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/169/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054069  -0.074537  -0.026138
+    0SOL     H3    3   0.053668   0.047501   0.063448
+    1SOL     O4    4   0.102487   0.105587   0.258528
+    1SOL     H5    5   0.192317   0.086057   0.285202
+    1SOL     H6    6   0.047966   0.060382   0.322921
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/170/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011783  -0.091368   0.025988
+    0SOL     H3    3   0.055531   0.037433   0.068391
+    1SOL     O4    4  -0.267346   0.055000  -0.009835
+    1SOL     H5    5  -0.301704  -0.000730   0.059994
+    1SOL     H6    6  -0.173060   0.038496  -0.009511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/171/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019315   0.077864   0.052215
+    0SOL     H3    3  -0.083352  -0.031980   0.034527
+    1SOL     O4    4   0.088858   0.243805   0.086336
+    1SOL     H5    5   0.151958   0.253114   0.014963
+    1SOL     H6    6   0.013680   0.296324   0.058907
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/172/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002946  -0.021756  -0.093168
+    0SOL     H3    3  -0.087570   0.036243   0.013424
+    1SOL     O4    4  -0.271120   0.085442   0.090029
+    1SOL     H5    5  -0.283762   0.152492   0.157162
+    1SOL     H6    6  -0.340849   0.101654   0.026489
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/173/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054367  -0.068668   0.038617
+    0SOL     H3    3  -0.085942  -0.011844   0.040448
+    1SOL     O4    4  -0.262783   0.012533  -0.251725
+    1SOL     H5    5  -0.325873   0.052045  -0.311899
+    1SOL     H6    6  -0.302940  -0.070438  -0.225928
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/174/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062368   0.016799  -0.070642
+    0SOL     H3    3   0.027039  -0.084325   0.036338
+    1SOL     O4    4   0.163385   0.094372  -0.212236
+    1SOL     H5    5   0.220502   0.020596  -0.190860
+    1SOL     H6    6   0.179200   0.157968  -0.142466
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/175/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024622  -0.075330   0.053680
+    0SOL     H3    3  -0.040452   0.061135   0.061551
+    1SOL     O4    4   0.200272   0.059065  -0.171703
+    1SOL     H5    5   0.134844   0.058256  -0.101841
+    1SOL     H6    6   0.149058   0.057871  -0.252561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/176/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090009   0.024427   0.021543
+    0SOL     H3    3  -0.000420  -0.095652   0.003578
+    1SOL     O4    4  -0.178028   0.178918   0.101509
+    1SOL     H5    5  -0.152685   0.244413   0.166551
+    1SOL     H6    6  -0.110149   0.111690   0.107439
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/177/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070081  -0.065090   0.003766
+    0SOL     H3    3   0.033199   0.073980   0.050863
+    1SOL     O4    4   0.123911   0.196269   0.115401
+    1SOL     H5    5   0.047739   0.253758   0.107968
+    1SOL     H6    6   0.191934   0.239796   0.064013
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/178/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071763  -0.045533   0.044036
+    0SOL     H3    3  -0.011188   0.091836   0.024561
+    1SOL     O4    4  -0.038587  -0.127844  -0.236916
+    1SOL     H5    5  -0.131372  -0.108438  -0.250209
+    1SOL     H6    6  -0.017428  -0.087416  -0.152772
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/179/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062148  -0.035139   0.063759
+    0SOL     H3    3  -0.043922  -0.010157  -0.084439
+    1SOL     O4    4  -0.161539  -0.101025   0.187109
+    1SOL     H5    5  -0.118967  -0.180259   0.219850
+    1SOL     H6    6  -0.156148  -0.039070   0.259874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/000/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023514  -0.071290   0.059390
+    0SOL     H3    3   0.057022   0.072454   0.025715
+    1SOL     O4    4  -0.210485   0.174796   0.017382
+    1SOL     H5    5  -0.134166   0.118974   0.002493
+    1SOL     H6    6  -0.261476   0.128504   0.083859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/001/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026010   0.057568  -0.071915
+    0SOL     H3    3   0.084102  -0.036416  -0.027625
+    1SOL     O4    4  -0.091434   0.115040  -0.212246
+    1SOL     H5    5  -0.042195   0.160823  -0.280376
+    1SOL     H6    6  -0.144655   0.051283  -0.259836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/002/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074132  -0.058592   0.015289
+    0SOL     H3    3  -0.076980  -0.052430   0.022080
+    1SOL     O4    4   0.104241   0.128911   0.221470
+    1SOL     H5    5   0.054937   0.102074   0.143938
+    1SOL     H6    6   0.038295   0.165664   0.280314
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/003/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054160  -0.074166  -0.026989
+    0SOL     H3    3  -0.006232   0.054873  -0.078182
+    1SOL     O4    4  -0.105144   0.114911  -0.220347
+    1SOL     H5    5  -0.045180   0.161437  -0.278674
+    1SOL     H6    6  -0.169022   0.074362  -0.278979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/004/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065805   0.064906   0.024885
+    0SOL     H3    3   0.045310  -0.020783   0.081715
+    1SOL     O4    4  -0.218714   0.175680   0.021505
+    1SOL     H5    5  -0.280029   0.107145  -0.005062
+    1SOL     H6    6  -0.245675   0.252708  -0.028514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/005/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086831   0.039115  -0.009625
+    0SOL     H3    3  -0.059973   0.065715  -0.035314
+    1SOL     O4    4   0.222069   0.154969   0.004671
+    1SOL     H5    5   0.300895   0.131209  -0.044157
+    1SOL     H6    6   0.254756   0.199798   0.082673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/006/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009831   0.063478   0.070967
+    0SOL     H3    3  -0.083119  -0.047449  -0.001443
+    1SOL     O4    4  -0.111551   0.265458  -0.145325
+    1SOL     H5    5  -0.118705   0.183229  -0.193797
+    1SOL     H6    6  -0.023766   0.297746  -0.165664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/007/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014932   0.030821   0.089384
+    0SOL     H3    3  -0.076120  -0.057625   0.006886
+    1SOL     O4    4  -0.190291  -0.092616   0.284157
+    1SOL     H5    5  -0.192128   0.000028   0.260155
+    1SOL     H6    6  -0.275037  -0.126551   0.255370
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/008/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072387  -0.002203  -0.062591
+    0SOL     H3    3  -0.061025   0.064284  -0.036137
+    1SOL     O4    4  -0.203376  -0.156302   0.045099
+    1SOL     H5    5  -0.116783  -0.116815   0.034860
+    1SOL     H6    6  -0.197174  -0.240009  -0.000911
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/009/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074147  -0.060035   0.007766
+    0SOL     H3    3  -0.077178  -0.056375   0.005263
+    1SOL     O4    4   0.099408   0.243213   0.136012
+    1SOL     H5    5   0.016833   0.290101   0.148067
+    1SOL     H6    6   0.076423   0.167642   0.081947
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/010/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068268  -0.067082  -0.001322
+    0SOL     H3    3  -0.019876   0.015835  -0.092285
+    1SOL     O4    4  -0.070314  -0.338868   0.044140
+    1SOL     H5    5   0.003553  -0.399411   0.050497
+    1SOL     H6    6  -0.070557  -0.292433   0.127842
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/011/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062530  -0.065154  -0.031737
+    0SOL     H3    3  -0.023037   0.050981  -0.077669
+    1SOL     O4    4  -0.127580   0.155979  -0.186132
+    1SOL     H5    5  -0.203208   0.180240  -0.132709
+    1SOL     H6    6  -0.164802   0.132351  -0.271094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/012/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064754  -0.017066   0.068396
+    0SOL     H3    3  -0.050110   0.040084  -0.071025
+    1SOL     O4    4   0.153019   0.132946   0.183194
+    1SOL     H5    5   0.196850   0.215629   0.163080
+    1SOL     H6    6   0.124063   0.099833   0.098180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/013/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075799   0.042451   0.040183
+    0SOL     H3    3   0.063849   0.070439  -0.011140
+    1SOL     O4    4  -0.121327  -0.103349  -0.237155
+    1SOL     H5    5  -0.197265  -0.157610  -0.258403
+    1SOL     H6    6  -0.115985  -0.105900  -0.141618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/014/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072303  -0.062683   0.002356
+    0SOL     H3    3   0.078102  -0.053910  -0.012492
+    1SOL     O4    4  -0.084303   0.123109  -0.219667
+    1SOL     H5    5  -0.052151   0.082822  -0.139010
+    1SOL     H6    6  -0.132032   0.200728  -0.190351
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/015/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057727  -0.021866   0.073156
+    0SOL     H3    3   0.056972   0.068919   0.034156
+    1SOL     O4    4  -0.097133   0.098935  -0.234875
+    1SOL     H5    5  -0.056895   0.057316  -0.158645
+    1SOL     H6    6  -0.177887   0.137750  -0.201193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/016/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082326  -0.041795  -0.025257
+    0SOL     H3    3  -0.007554   0.075413  -0.058464
+    1SOL     O4    4   0.273479   0.171544  -0.081900
+    1SOL     H5    5   0.304719   0.089862  -0.042986
+    1SOL     H6    6   0.244257   0.146709  -0.169602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/017/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072903   0.061951   0.003101
+    0SOL     H3    3   0.014494  -0.057883   0.074845
+    1SOL     O4    4   0.083847  -0.121004   0.226328
+    1SOL     H5    5   0.021271  -0.161992   0.286048
+    1SOL     H6    6   0.124416  -0.051462   0.278101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/018/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085561   0.007219  -0.042303
+    0SOL     H3    3  -0.053419   0.067249  -0.042265
+    1SOL     O4    4  -0.286373   0.156803   0.188328
+    1SOL     H5    5  -0.272674   0.090297   0.120862
+    1SOL     H6    6  -0.357443   0.211178   0.154345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/019/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067312  -0.038191   0.056329
+    0SOL     H3    3   0.065989  -0.068805  -0.008575
+    1SOL     O4    4   0.148614   0.134903   0.175111
+    1SOL     H5    5   0.101197   0.090131   0.105044
+    1SOL     H6    6   0.191402   0.064540   0.223901
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/020/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085885   0.039685   0.014531
+    0SOL     H3    3   0.046316   0.062693  -0.055559
+    1SOL     O4    4   0.104993  -0.134319   0.225668
+    1SOL     H5    5   0.016978  -0.171923   0.224413
+    1SOL     H6    6   0.109742  -0.081681   0.145862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/021/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068308  -0.024476  -0.062428
+    0SOL     H3    3  -0.060780   0.053753  -0.050782
+    1SOL     O4    4   0.063108   0.140773   0.221179
+    1SOL     H5    5   0.052244   0.087481   0.142412
+    1SOL     H6    6   0.147239   0.184766   0.208974
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/022/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049429   0.051448  -0.063814
+    0SOL     H3    3  -0.061745  -0.066677   0.030068
+    1SOL     O4    4  -0.157289   0.130025  -0.178559
+    1SOL     H5    5  -0.081699   0.155076  -0.231671
+    1SOL     H6    6  -0.189932   0.049921  -0.219547
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/023/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070875  -0.016477   0.062190
+    0SOL     H3    3   0.052530  -0.079999   0.001732
+    1SOL     O4    4  -0.109410   0.092573  -0.237662
+    1SOL     H5    5  -0.062110   0.174230  -0.253699
+    1SOL     H6    6  -0.086086   0.068541  -0.147992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/024/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024921  -0.065011   0.065688
+    0SOL     H3    3   0.044381   0.080204   0.027569
+    1SOL     O4    4   0.150981  -0.070542  -0.207494
+    1SOL     H5    5   0.075075  -0.038427  -0.158819
+    1SOL     H6    6   0.113900  -0.110313  -0.286270
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/025/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065713   0.021488  -0.066200
+    0SOL     H3    3  -0.037155  -0.083241  -0.029201
+    1SOL     O4    4  -0.248002  -0.149218   0.122897
+    1SOL     H5    5  -0.249063  -0.113165   0.211561
+    1SOL     H6    6  -0.183673  -0.220006   0.126542
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/026/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069787   0.064816  -0.009537
+    0SOL     H3    3   0.030577  -0.058116   0.069642
+    1SOL     O4    4  -0.226335   0.194448  -0.052848
+    1SOL     H5    5  -0.217194   0.282222  -0.015773
+    1SOL     H6    6  -0.164509   0.140855  -0.003173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/027/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008715  -0.058282  -0.075429
+    0SOL     H3    3  -0.077993   0.055392  -0.003334
+    1SOL     O4    4  -0.275362  -0.174738   0.117994
+    1SOL     H5    5  -0.255744  -0.094742   0.166760
+    1SOL     H6    6  -0.349465  -0.213612   0.164468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/028/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018781  -0.048220  -0.080526
+    0SOL     H3    3   0.075498   0.054652  -0.021808
+    1SOL     O4    4   0.122818  -0.154251   0.186541
+    1SOL     H5    5   0.079046  -0.099190   0.121621
+    1SOL     H6    6   0.054826  -0.174113   0.250922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/029/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032238   0.052407  -0.073325
+    0SOL     H3    3  -0.078473  -0.040628   0.036792
+    1SOL     O4    4   0.008216  -0.250835   0.255581
+    1SOL     H5    5   0.080092  -0.187872   0.249939
+    1SOL     H6    6   0.006680  -0.293254   0.169787
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/030/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073178  -0.037775  -0.048789
+    0SOL     H3    3   0.041364   0.054796   0.066699
+    1SOL     O4    4   0.108459   0.144347   0.216022
+    1SOL     H5    5   0.018215   0.175850   0.210930
+    1SOL     H6    6   0.118688   0.115384   0.306680
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/031/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048365  -0.006951   0.082309
+    0SOL     H3    3  -0.058096   0.049369  -0.057878
+    1SOL     O4    4   0.161783   0.161981   0.179154
+    1SOL     H5    5   0.210972   0.233385   0.138605
+    1SOL     H6    6   0.116814   0.119355   0.106194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/032/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068943  -0.037935  -0.054498
+    0SOL     H3    3   0.044948   0.027388   0.079949
+    1SOL     O4    4  -0.160845   0.136774  -0.177526
+    1SOL     H5    5  -0.211395   0.201034  -0.127751
+    1SOL     H6    6  -0.123700   0.078764  -0.111062
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/033/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044854   0.067994   0.050272
+    0SOL     H3    3  -0.044293   0.047448  -0.070350
+    1SOL     O4    4  -0.116044   0.128453  -0.217789
+    1SOL     H5    5  -0.111682   0.087571  -0.304230
+    1SOL     H6    6  -0.204975   0.163421  -0.212240
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/034/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045902   0.081937  -0.018486
+    0SOL     H3    3  -0.035447  -0.027271  -0.084629
+    1SOL     O4    4  -0.131417  -0.157975  -0.185169
+    1SOL     H5    5  -0.179599  -0.121639  -0.259469
+    1SOL     H6    6  -0.063555  -0.212525  -0.224935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/035/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075052  -0.032663   0.049625
+    0SOL     H3    3  -0.036628   0.026129  -0.084487
+    1SOL     O4    4  -0.096522   0.102319  -0.248023
+    1SOL     H5    5  -0.121279   0.027430  -0.302254
+    1SOL     H6    6  -0.172079   0.160941  -0.252125
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/036/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068613  -0.063145  -0.021618
+    0SOL     H3    3  -0.022029   0.041067  -0.083610
+    1SOL     O4    4  -0.370411  -0.023747  -0.061140
+    1SOL     H5    5  -0.416718   0.008144  -0.138605
+    1SOL     H6    6  -0.325378   0.053361  -0.026662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/037/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068336  -0.042209  -0.052066
+    0SOL     H3    3   0.062389   0.033109  -0.064605
+    1SOL     O4    4   0.248101   0.229016   0.121848
+    1SOL     H5    5   0.296723   0.173117   0.061238
+    1SOL     H6    6   0.207038   0.167984   0.183095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/038/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052248  -0.069654  -0.039760
+    0SOL     H3    3   0.044097  -0.042191   0.073741
+    1SOL     O4    4   0.148867   0.072085  -0.215891
+    1SOL     H5    5   0.239571   0.097396  -0.198729
+    1SOL     H6    6   0.115702   0.042657  -0.131059
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/039/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046244   0.075928   0.035480
+    0SOL     H3    3  -0.034876   0.030181  -0.083875
+    1SOL     O4    4   0.231105  -0.157229  -0.035556
+    1SOL     H5    5   0.141815  -0.122827  -0.033095
+    1SOL     H6    6   0.251091  -0.165459  -0.128804
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/040/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035445   0.022200  -0.086099
+    0SOL     H3    3   0.063999  -0.069004  -0.017459
+    1SOL     O4    4  -0.254522  -0.236576  -0.137025
+    1SOL     H5    5  -0.193550  -0.213678  -0.207171
+    1SOL     H6    6  -0.198969  -0.271793  -0.067485
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/041/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038836   0.044830  -0.075129
+    0SOL     H3    3  -0.074914  -0.027982   0.052604
+    1SOL     O4    4  -0.223689  -0.196459  -0.135015
+    1SOL     H5    5  -0.202167  -0.247300  -0.056821
+    1SOL     H6    6  -0.302311  -0.147473  -0.110902
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/042/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049386  -0.077971  -0.025373
+    0SOL     H3    3   0.066838   0.066723   0.015592
+    1SOL     O4    4   0.160819  -0.217040  -0.081264
+    1SOL     H5    5   0.211543  -0.259248  -0.011926
+    1SOL     H6    6   0.113785  -0.288813  -0.123676
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/043/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003909  -0.061780   0.073009
+    0SOL     H3    3   0.070828   0.062036   0.017239
+    1SOL     O4    4   0.204093   0.174638   0.057465
+    1SOL     H5    5   0.167953   0.203211   0.141368
+    1SOL     H6    6   0.169773   0.237452  -0.006088
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/044/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070193  -0.037110  -0.053462
+    0SOL     H3    3  -0.053975  -0.075219   0.024314
+    1SOL     O4    4   0.036804  -0.349474  -0.050011
+    1SOL     H5    5  -0.038452  -0.377606   0.002021
+    1SOL     H6    6  -0.001402  -0.314456  -0.130486
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/045/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071426  -0.051410   0.037651
+    0SOL     H3    3   0.042904   0.077075  -0.037163
+    1SOL     O4    4   0.031806   0.245463   0.224318
+    1SOL     H5    5   0.116407   0.202990   0.238499
+    1SOL     H6    6  -0.032686   0.180163   0.251502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/046/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060729   0.036407   0.064412
+    0SOL     H3    3   0.038573  -0.075961   0.043639
+    1SOL     O4    4  -0.087316  -0.119797  -0.239680
+    1SOL     H5    5  -0.068911  -0.062853  -0.164974
+    1SOL     H6    6  -0.082629  -0.061870  -0.315738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/047/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070150   0.064898   0.005443
+    0SOL     H3    3  -0.027205  -0.058900  -0.070378
+    1SOL     O4    4  -0.165540  -0.162205  -0.185536
+    1SOL     H5    5  -0.204272  -0.084797  -0.226404
+    1SOL     H6    6  -0.086179  -0.178999  -0.236352
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+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/048/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065203   0.069854   0.005586
+    0SOL     H3    3  -0.054381   0.011645   0.077906
+    1SOL     O4    4  -0.128538  -0.176472  -0.166778
+    1SOL     H5    5  -0.096329  -0.096013  -0.126142
+    1SOL     H6    6  -0.167111  -0.147778  -0.249549
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063653  -0.063188  -0.033436
+    0SOL     H3    3   0.052513   0.063436   0.048792
+    1SOL     O4    4  -0.171243  -0.088425   0.230861
+    1SOL     H5    5  -0.109953  -0.140565   0.282701
+    1SOL     H6    6  -0.124645  -0.070869   0.149113
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+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/050/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066660   0.022045  -0.065060
+    0SOL     H3    3   0.046339  -0.053051   0.064812
+    1SOL     O4    4  -0.190812   0.197987   0.081417
+    1SOL     H5    5  -0.135792   0.123334   0.057710
+    1SOL     H6    6  -0.130397   0.260631   0.121267
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038241   0.026155   0.083761
+    0SOL     H3    3  -0.059619  -0.071541   0.022133
+    1SOL     O4    4   0.143916   0.146734   0.191719
+    1SOL     H5    5   0.088599   0.217741   0.224282
+    1SOL     H6    6   0.182325   0.108191   0.270469
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+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/052/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090977   0.019284  -0.022664
+    0SOL     H3    3  -0.022968  -0.075094  -0.054733
+    1SOL     O4    4  -0.087681  -0.237481  -0.108459
+    1SOL     H5    5  -0.137354  -0.247245  -0.027221
+    1SOL     H6    6  -0.147994  -0.193415  -0.168317
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/053/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059770   0.061241  -0.042888
+    0SOL     H3    3   0.056509  -0.070448   0.031720
+    1SOL     O4    4   0.152162   0.205430  -0.102844
+    1SOL     H5    5   0.208252   0.249750  -0.039189
+    1SOL     H6    6   0.102547   0.275990  -0.144341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/054/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040229   0.035349   0.079337
+    0SOL     H3    3   0.066305   0.064674  -0.024150
+    1SOL     O4    4  -0.043788   0.360509   0.052068
+    1SOL     H5    5   0.003448   0.391585  -0.025168
+    1SOL     H6    6  -0.101007   0.433373   0.076133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/055/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053698   0.065107  -0.045166
+    0SOL     H3    3  -0.043826  -0.047921  -0.070322
+    1SOL     O4    4  -0.098471   0.314514   0.127225
+    1SOL     H5    5  -0.137731   0.273492   0.050166
+    1SOL     H6    6  -0.165929   0.374192   0.159634
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/056/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078875  -0.009485   0.053395
+    0SOL     H3    3  -0.031879   0.031813  -0.084463
+    1SOL     O4    4  -0.153515   0.148372  -0.214717
+    1SOL     H5    5  -0.089789   0.213804  -0.243353
+    1SOL     H6    6  -0.195170   0.187450  -0.137905
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050116  -0.062468   0.052426
+    0SOL     H3    3   0.056827   0.076733  -0.006709
+    1SOL     O4    4   0.024540   0.249923  -0.314605
+    1SOL     H5    5   0.060054   0.319697  -0.259536
+    1SOL     H6    6  -0.024681   0.295790  -0.382692
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/058/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060176  -0.039538   0.063070
+    0SOL     H3    3   0.061144  -0.070245  -0.022120
+    1SOL     O4    4   0.098231   0.219148   0.159091
+    1SOL     H5    5   0.180552   0.252097   0.123037
+    1SOL     H6    6   0.076185   0.144114   0.103898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/059/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084250   0.013259  -0.043457
+    0SOL     H3    3  -0.052923  -0.047346  -0.064186
+    1SOL     O4    4  -0.188511  -0.144204  -0.164736
+    1SOL     H5    5  -0.237718  -0.226149  -0.169842
+    1SOL     H6    6  -0.118617  -0.154114  -0.229380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/060/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070852   0.026753  -0.058538
+    0SOL     H3    3   0.044363  -0.041513   0.073965
+    1SOL     O4    4   0.045487  -0.373474   0.015113
+    1SOL     H5    5  -0.017520  -0.362713   0.086364
+    1SOL     H6    6   0.114206  -0.428951   0.052020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/061/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080406   0.046374   0.023381
+    0SOL     H3    3   0.016323  -0.058526   0.073963
+    1SOL     O4    4  -0.100344  -0.140030  -0.197255
+    1SOL     H5    5  -0.021152  -0.161503  -0.246550
+    1SOL     H6    6  -0.069263  -0.087191  -0.123741
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/062/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056475   0.074174  -0.021704
+    0SOL     H3    3   0.058173  -0.062678   0.043008
+    1SOL     O4    4  -0.216231   0.034584   0.155842
+    1SOL     H5    5  -0.192819  -0.011249   0.236548
+    1SOL     H6    6  -0.136084   0.033512   0.103520
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/063/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052118   0.058246   0.055258
+    0SOL     H3    3   0.062094  -0.066238  -0.030317
+    1SOL     O4    4   0.086863   0.234266   0.113593
+    1SOL     H5    5   0.168322   0.279121   0.090904
+    1SOL     H6    6   0.017781   0.293806   0.084524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/064/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084616  -0.044656  -0.002882
+    0SOL     H3    3   0.011061   0.076080  -0.057024
+    1SOL     O4    4  -0.036925   0.241133  -0.143784
+    1SOL     H5    5  -0.114217   0.293777  -0.123369
+    1SOL     H6    6   0.024619   0.303068  -0.183010
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/065/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073728  -0.017586  -0.058457
+    0SOL     H3    3   0.038880   0.045684   0.074590
+    1SOL     O4    4  -0.247243   0.159872   0.162317
+    1SOL     H5    5  -0.262932   0.132623   0.071909
+    1SOL     H6    6  -0.174696   0.222034   0.156401
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/066/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095552  -0.004190   0.003824
+    0SOL     H3    3   0.023722   0.066374   0.064761
+    1SOL     O4    4  -0.253171  -0.169846   0.022948
+    1SOL     H5    5  -0.187346  -0.220018   0.071032
+    1SOL     H6    6  -0.270071  -0.221652  -0.055747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/067/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021644  -0.047536   0.080213
+    0SOL     H3    3  -0.037084  -0.066480  -0.058030
+    1SOL     O4    4  -0.135011  -0.188872  -0.186799
+    1SOL     H5    5  -0.183569  -0.254947  -0.137418
+    1SOL     H6    6  -0.201641  -0.144113  -0.238948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/068/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028858   0.063716   0.065343
+    0SOL     H3    3   0.075617  -0.057305  -0.012672
+    1SOL     O4    4   0.101809  -0.358263  -0.120494
+    1SOL     H5    5   0.044672  -0.370605  -0.044696
+    1SOL     H6    6   0.155062  -0.437742  -0.123600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/069/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043463   0.015807  -0.083806
+    0SOL     H3    3  -0.069570  -0.031938   0.057466
+    1SOL     O4    4   0.153287   0.165491   0.176332
+    1SOL     H5    5   0.074070   0.181550   0.227605
+    1SOL     H6    6   0.121581   0.127185   0.094541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/070/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060823   0.017521   0.071805
+    0SOL     H3    3  -0.052767  -0.045604  -0.065561
+    1SOL     O4    4  -0.101791   0.307173   0.024075
+    1SOL     H5    5  -0.026896   0.341324  -0.024780
+    1SOL     H6    6  -0.062892   0.254800   0.094119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/071/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068934  -0.034732   0.056605
+    0SOL     H3    3  -0.046136   0.030180  -0.078249
+    1SOL     O4    4  -0.153808  -0.228150  -0.129908
+    1SOL     H5    5  -0.098640  -0.168151  -0.180096
+    1SOL     H6    6  -0.171598  -0.300424  -0.190094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/072/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059657  -0.065729  -0.035819
+    0SOL     H3    3   0.057491   0.068126   0.034870
+    1SOL     O4    4   0.149667  -0.214157  -0.068180
+    1SOL     H5    5   0.206068  -0.258604  -0.004889
+    1SOL     H6    6   0.105500  -0.285064  -0.114912
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/073/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035755  -0.033446  -0.082251
+    0SOL     H3    3   0.051144   0.076779  -0.025525
+    1SOL     O4    4   0.185667   0.176377  -0.012423
+    1SOL     H5    5   0.200744   0.267012   0.014416
+    1SOL     H6    6   0.258345   0.127505   0.026199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/074/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072751   0.059209  -0.019076
+    0SOL     H3    3  -0.000002  -0.062228  -0.072732
+    1SOL     O4    4   0.103294  -0.303004   0.140613
+    1SOL     H5    5   0.025640  -0.358951   0.142022
+    1SOL     H6    6   0.075994  -0.222923   0.185380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/075/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085660   0.028591   0.031738
+    0SOL     H3    3   0.035315  -0.053471   0.071106
+    1SOL     O4    4  -0.067342  -0.133297  -0.220534
+    1SOL     H5    5  -0.063520  -0.074154  -0.145369
+    1SOL     H6    6  -0.129795  -0.201046  -0.194612
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/076/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055992   0.027486   0.072607
+    0SOL     H3    3   0.057190   0.075080  -0.015957
+    1SOL     O4    4  -0.078257  -0.138436  -0.207958
+    1SOL     H5    5  -0.074143  -0.088352  -0.126490
+    1SOL     H6    6  -0.152521  -0.197635  -0.196011
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/077/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073037   0.059863   0.015632
+    0SOL     H3    3   0.014216  -0.071820   0.061661
+    1SOL     O4    4   0.105677  -0.216230   0.125216
+    1SOL     H5    5   0.139990  -0.193351   0.211595
+    1SOL     H6    6   0.181811  -0.248313   0.076877
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/078/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070323   0.063025  -0.015647
+    0SOL     H3    3   0.062398   0.015574  -0.070896
+    1SOL     O4    4   0.159317   0.081009  -0.202159
+    1SOL     H5    5   0.133598   0.011116  -0.262290
+    1SOL     H6    6   0.248697   0.103339  -0.228139
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/079/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050998  -0.038820   0.071096
+    0SOL     H3    3   0.075474   0.039678   0.043493
+    1SOL     O4    4   0.216738  -0.176175  -0.043538
+    1SOL     H5    5   0.124829  -0.151065  -0.034350
+    1SOL     H6    6   0.221201  -0.264618  -0.007204
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071811   0.024538   0.058338
+    0SOL     H3    3  -0.043150  -0.038246  -0.076405
+    1SOL     O4    4  -0.175657   0.089284   0.182549
+    1SOL     H5    5  -0.249745   0.143955   0.156390
+    1SOL     H6    6  -0.106269   0.151604   0.204088
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/081/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071943   0.018498   0.060369
+    0SOL     H3    3  -0.043009  -0.020608  -0.082993
+    1SOL     O4    4  -0.086648  -0.097117  -0.252747
+    1SOL     H5    5  -0.093551  -0.055702  -0.338767
+    1SOL     H6    6  -0.025115  -0.169281  -0.265724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/082/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026420   0.046259  -0.079526
+    0SOL     H3    3   0.014918   0.063011   0.070494
+    1SOL     O4    4  -0.223890  -0.172179   0.031420
+    1SOL     H5    5  -0.157061  -0.103652   0.030816
+    1SOL     H6    6  -0.282441  -0.147968   0.103168
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081766   0.049251  -0.007139
+    0SOL     H3    3   0.012219  -0.075307  -0.057809
+    1SOL     O4    4   0.172148  -0.061568   0.261691
+    1SOL     H5    5   0.217512  -0.111889   0.329309
+    1SOL     H6    6   0.238622  -0.046211   0.194552
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/084/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057588   0.004958  -0.076298
+    0SOL     H3    3   0.048643  -0.052697   0.063398
+    1SOL     O4    4  -0.096159  -0.219263  -0.140694
+    1SOL     H5    5  -0.183027  -0.254001  -0.120457
+    1SOL     H6    6  -0.089156  -0.139813  -0.087770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/085/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039291   0.076304  -0.042383
+    0SOL     H3    3  -0.051418   0.036400   0.072067
+    1SOL     O4    4  -0.223004   0.025454   0.179148
+    1SOL     H5    5  -0.288791   0.092814   0.196383
+    1SOL     H6    6  -0.264463  -0.032874   0.115576
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/086/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005849   0.025392  -0.092105
+    0SOL     H3    3  -0.083044  -0.047133   0.006673
+    1SOL     O4    4  -0.257404   0.061320  -0.292966
+    1SOL     H5    5  -0.216919  -0.024440  -0.305944
+    1SOL     H6    6  -0.328676   0.045108  -0.231162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/087/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015472  -0.087966   0.034422
+    0SOL     H3    3   0.065858   0.054534   0.043025
+    1SOL     O4    4   0.161398  -0.098675  -0.206467
+    1SOL     H5    5   0.102002  -0.064897  -0.139433
+    1SOL     H6    6   0.104732  -0.147014  -0.266588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/088/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008991   0.065682  -0.069046
+    0SOL     H3    3   0.079512  -0.048135  -0.022873
+    1SOL     O4    4  -0.101532   0.214327  -0.129655
+    1SOL     H5    5  -0.049074   0.293859  -0.138888
+    1SOL     H6    6  -0.166386   0.235997  -0.062673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/089/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071627   0.026680   0.057620
+    0SOL     H3    3   0.055821   0.077497  -0.006359
+    1SOL     O4    4   0.095231  -0.195254   0.149492
+    1SOL     H5    5   0.176828  -0.238503   0.124316
+    1SOL     H6    6   0.085525  -0.123805   0.086539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/090/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030845   0.055847   0.071359
+    0SOL     H3    3  -0.070952   0.049849  -0.040536
+    1SOL     O4    4  -0.211961  -0.150780   0.040292
+    1SOL     H5    5  -0.240045  -0.144609   0.131591
+    1SOL     H6    6  -0.127737  -0.105355   0.037969
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/091/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078561   0.053734  -0.010153
+    0SOL     H3    3   0.072591   0.060494  -0.015276
+    1SOL     O4    4   0.189516   0.174506   0.006746
+    1SOL     H5    5   0.164049   0.256187  -0.036173
+    1SOL     H6    6   0.161486   0.185393   0.097620
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/092/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017184  -0.042514   0.084021
+    0SOL     H3    3   0.083892   0.038815  -0.024858
+    1SOL     O4    4   0.081327  -0.106282   0.223849
+    1SOL     H5    5   0.136268  -0.052328   0.280705
+    1SOL     H6    6   0.132805  -0.185598   0.208970
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/093/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078453  -0.017811   0.051868
+    0SOL     H3    3  -0.028135   0.064795  -0.064594
+    1SOL     O4    4   0.158016   0.176535   0.138036
+    1SOL     H5    5   0.098550   0.152727   0.066907
+    1SOL     H6    6   0.172644   0.094704   0.185492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/094/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084882  -0.044151  -0.002823
+    0SOL     H3    3   0.028507   0.003062  -0.091325
+    1SOL     O4    4  -0.205369  -0.164530   0.029428
+    1SOL     H5    5  -0.277515  -0.143254   0.088627
+    1SOL     H6    6  -0.248126  -0.197080  -0.049785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/095/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056894   0.070920  -0.029928
+    0SOL     H3    3  -0.051793  -0.023350  -0.077036
+    1SOL     O4    4  -0.157225  -0.152383  -0.159929
+    1SOL     H5    5  -0.232937  -0.187496  -0.113055
+    1SOL     H6    6  -0.190953  -0.130047  -0.246681
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/096/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047549  -0.045353   0.069602
+    0SOL     H3    3   0.056084   0.062454   0.046005
+    1SOL     O4    4  -0.129690  -0.087282   0.218820
+    1SOL     H5    5  -0.148011  -0.009095   0.270911
+    1SOL     H6    6  -0.210153  -0.138881   0.223869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/097/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056430   0.077317   0.000266
+    0SOL     H3    3   0.041536   0.000307   0.086238
+    1SOL     O4    4  -0.263553  -0.129199   0.149000
+    1SOL     H5    5  -0.184344  -0.182079   0.158589
+    1SOL     H6    6  -0.334430  -0.193167   0.142154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/098/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024276   0.076536  -0.052109
+    0SOL     H3    3  -0.043673   0.013402   0.084115
+    1SOL     O4    4   0.182990  -0.192899  -0.032240
+    1SOL     H5    5   0.234259  -0.166525  -0.108648
+    1SOL     H6    6   0.129543  -0.116227  -0.011573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/099/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051322  -0.033280  -0.073626
+    0SOL     H3    3   0.039113  -0.078065   0.039223
+    1SOL     O4    4   0.198890   0.222001  -0.076144
+    1SOL     H5    5   0.128665   0.171973  -0.034574
+    1SOL     H6    6   0.237649   0.272758  -0.004844
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/100/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068071  -0.057885  -0.034321
+    0SOL     H3    3  -0.036006   0.043252  -0.077428
+    1SOL     O4    4   0.138874   0.172039   0.208453
+    1SOL     H5    5   0.113883   0.104304   0.145607
+    1SOL     H6    6   0.206540   0.131015   0.262312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/101/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061907   0.024730  -0.068689
+    0SOL     H3    3  -0.055986  -0.066057  -0.040798
+    1SOL     O4    4   0.148971   0.049458  -0.230315
+    1SOL     H5    5   0.091609   0.125919  -0.235392
+    1SOL     H6    6   0.235580   0.082837  -0.253702
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/102/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038661   0.071533  -0.050504
+    0SOL     H3    3  -0.068990  -0.066197   0.004536
+    1SOL     O4    4   0.251561   0.180050  -0.022395
+    1SOL     H5    5   0.166657   0.223893  -0.016788
+    1SOL     H6    6   0.315609   0.250118  -0.010120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/103/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058123   0.059759  -0.047041
+    0SOL     H3    3   0.040525   0.054238   0.067663
+    1SOL     O4    4  -0.144116  -0.216086   0.074311
+    1SOL     H5    5  -0.099474  -0.140550   0.036052
+    1SOL     H6    6  -0.225678  -0.180456   0.109529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/104/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092290  -0.021887   0.012874
+    0SOL     H3    3  -0.043479  -0.084614  -0.010597
+    1SOL     O4    4   0.253082   0.210205  -0.056598
+    1SOL     H5    5   0.312556   0.283815  -0.070975
+    1SOL     H6    6   0.223485   0.185784  -0.144291
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/105/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072653   0.061687   0.008864
+    0SOL     H3    3  -0.078297   0.052670   0.016055
+    1SOL     O4    4   0.223933   0.158544   0.027076
+    1SOL     H5    5   0.223282   0.220577   0.099972
+    1SOL     H6    6   0.301324   0.104336   0.042385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/106/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042421  -0.081249   0.027593
+    0SOL     H3    3   0.057395  -0.026146  -0.072003
+    1SOL     O4    4  -0.065338   0.231099  -0.121013
+    1SOL     H5    5  -0.152859   0.254453  -0.090076
+    1SOL     H6    6  -0.044302   0.150076  -0.074590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/107/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048163  -0.076046   0.032551
+    0SOL     H3    3   0.039538   0.038618   0.078152
+    1SOL     O4    4   0.194294  -0.222608   0.156143
+    1SOL     H5    5   0.242740  -0.289358   0.204720
+    1SOL     H6    6   0.154445  -0.270161   0.083252
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/108/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085764  -0.040579   0.012655
+    0SOL     H3    3  -0.053217  -0.068492  -0.040485
+    1SOL     O4    4  -0.170051   0.030156   0.194586
+    1SOL     H5    5  -0.134934   0.063954   0.276968
+    1SOL     H6    6  -0.092886   0.015099   0.139986
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/109/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022705   0.046871  -0.080311
+    0SOL     H3    3   0.062829  -0.066562  -0.028006
+    1SOL     O4    4  -0.210373  -0.193058  -0.082717
+    1SOL     H5    5  -0.290028  -0.140945  -0.092792
+    1SOL     H6    6  -0.150277  -0.136016  -0.034790
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/110/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047080   0.005200  -0.083179
+    0SOL     H3    3  -0.081247  -0.045936  -0.021241
+    1SOL     O4    4   0.189240  -0.189400   0.022536
+    1SOL     H5    5   0.118655  -0.128683   0.044748
+    1SOL     H6    6   0.174789  -0.210271  -0.069756
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/111/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067059  -0.058095   0.035922
+    0SOL     H3    3   0.034962   0.027489  -0.084760
+    1SOL     O4    4   0.196655  -0.187675   0.033988
+    1SOL     H5    5   0.225606  -0.241250   0.107838
+    1SOL     H6    6   0.192320  -0.248662  -0.039661
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/112/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060248   0.039256  -0.063178
+    0SOL     H3    3  -0.067857   0.066280   0.012834
+    1SOL     O4    4   0.172492   0.074747  -0.204569
+    1SOL     H5    5   0.113450   0.136538  -0.247676
+    1SOL     H6    6   0.255175   0.122277  -0.196396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/113/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005887   0.067831  -0.067281
+    0SOL     H3    3   0.084680  -0.041861  -0.015469
+    1SOL     O4    4   0.244552   0.200854  -0.033592
+    1SOL     H5    5   0.197139   0.185000  -0.115219
+    1SOL     H6    6   0.176013   0.209784   0.032627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/114/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032075   0.085468   0.028789
+    0SOL     H3    3   0.069591   0.020295  -0.062510
+    1SOL     O4    4  -0.122325   0.210183   0.078402
+    1SOL     H5    5  -0.180519   0.147443   0.121290
+    1SOL     H6    6  -0.176444   0.250655   0.010611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/115/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085637   0.027956   0.032359
+    0SOL     H3    3  -0.019496  -0.050557  -0.078906
+    1SOL     O4    4   0.244160   0.145521  -0.005471
+    1SOL     H5    5   0.159543   0.101071  -0.010616
+    1SOL     H6    6   0.305361   0.077455   0.022527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/116/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028855  -0.044938   0.079437
+    0SOL     H3    3  -0.082966   0.041018   0.024423
+    1SOL     O4    4   0.194260   0.192535   0.084904
+    1SOL     H5    5   0.136574   0.122113   0.055317
+    1SOL     H6    6   0.280495   0.151583   0.091885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/117/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042974  -0.044447  -0.073076
+    0SOL     H3    3   0.043528  -0.070120   0.048486
+    1SOL     O4    4   0.155175   0.218574  -0.071350
+    1SOL     H5    5   0.102558   0.140935  -0.052219
+    1SOL     H6    6   0.227612   0.185918  -0.124724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/118/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053731  -0.068380   0.039994
+    0SOL     H3    3  -0.046651  -0.044459  -0.070777
+    1SOL     O4    4   0.122818  -0.173479   0.170729
+    1SOL     H5    5   0.160595  -0.259981   0.154839
+    1SOL     H6    6   0.049014  -0.189934   0.229418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/119/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054466  -0.026850   0.073992
+    0SOL     H3    3   0.056966  -0.075158  -0.016386
+    1SOL     O4    4  -0.088733   0.143273  -0.241787
+    1SOL     H5    5  -0.073671   0.084696  -0.167598
+    1SOL     H6    6  -0.118826   0.085708  -0.312093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/120/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038207   0.070744  -0.051940
+    0SOL     H3    3  -0.061126  -0.072955  -0.010176
+    1SOL     O4    4  -0.162582   0.061525   0.204782
+    1SOL     H5    5  -0.098739   0.044291   0.135577
+    1SOL     H6    6  -0.113186   0.108797   0.271772
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+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/121/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071737   0.063311   0.002800
+    0SOL     H3    3  -0.023521  -0.065827   0.065390
+    1SOL     O4    4   0.201943   0.157953   0.093432
+    1SOL     H5    5   0.213531   0.213439   0.170564
+    1SOL     H6    6   0.124173   0.105670   0.112945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/122/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080980   0.047939  -0.017504
+    0SOL     H3    3   0.011052  -0.057028  -0.076079
+    1SOL     O4    4  -0.223091   0.147141  -0.046539
+    1SOL     H5    5  -0.194344   0.179647  -0.131858
+    1SOL     H6    6  -0.293869   0.085958  -0.066774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/123/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034688  -0.056838   0.068764
+    0SOL     H3    3  -0.043299  -0.059761  -0.060961
+    1SOL     O4    4   0.169081   0.184882   0.178931
+    1SOL     H5    5   0.209806   0.250974   0.234927
+    1SOL     H6    6   0.141638   0.233114   0.100938
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/124/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050145  -0.077492   0.025354
+    0SOL     H3    3  -0.055463   0.044589  -0.064016
+    1SOL     O4    4  -0.136505   0.255829   0.210204
+    1SOL     H5    5  -0.087713   0.292379   0.136408
+    1SOL     H6    6  -0.120373   0.316810   0.282200
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/125/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049299  -0.072963   0.037527
+    0SOL     H3    3  -0.029922  -0.032423  -0.084946
+    1SOL     O4    4   0.077413  -0.264526   0.154266
+    1SOL     H5    5   0.162103  -0.308574   0.147210
+    1SOL     H6    6   0.013955  -0.329565   0.124177
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/126/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079851   0.052406  -0.006299
+    0SOL     H3    3  -0.007384  -0.063633  -0.071124
+    1SOL     O4    4   0.186690   0.204001   0.062166
+    1SOL     H5    5   0.166291   0.294329   0.037937
+    1SOL     H6    6   0.133550   0.150705   0.003022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/127/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069482  -0.034180  -0.056270
+    0SOL     H3    3   0.046264   0.046614   0.069636
+    1SOL     O4    4  -0.167361   0.175892  -0.152263
+    1SOL     H5    5  -0.135520   0.136214  -0.071182
+    1SOL     H6    6  -0.226617   0.245289  -0.123365
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/128/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067639  -0.025054  -0.062925
+    0SOL     H3    3  -0.052779   0.065156  -0.046168
+    1SOL     O4    4  -0.210582  -0.154400   0.042215
+    1SOL     H5    5  -0.123722  -0.115485   0.052371
+    1SOL     H6    6  -0.194421  -0.238184  -0.001161
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/129/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075872   0.006500   0.057996
+    0SOL     H3    3  -0.032352  -0.047378  -0.076622
+    1SOL     O4    4  -0.104510  -0.134791  -0.204805
+    1SOL     H5    5  -0.034307  -0.199780  -0.208013
+    1SOL     H6    6  -0.184948  -0.185891  -0.213795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/130/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068017   0.066285   0.011930
+    0SOL     H3    3  -0.035540  -0.059192  -0.066299
+    1SOL     O4    4  -0.180797   0.188021   0.015558
+    1SOL     H5    5  -0.243071   0.162331   0.083560
+    1SOL     H6    6  -0.129428   0.258296   0.055369
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/131/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085370  -0.039631   0.017429
+    0SOL     H3    3   0.005473   0.004187  -0.095472
+    1SOL     O4    4   0.077917   0.230044   0.095995
+    1SOL     H5    5   0.143842   0.254594   0.031084
+    1SOL     H6    6   0.044661   0.145568   0.065660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/132/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015934  -0.064330   0.069065
+    0SOL     H3    3  -0.093556   0.019249   0.006253
+    1SOL     O4    4  -0.095708  -0.264942  -0.167738
+    1SOL     H5    5  -0.028775  -0.327140  -0.139214
+    1SOL     H6    6  -0.160045  -0.318521  -0.214133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/133/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057226  -0.072552  -0.024974
+    0SOL     H3    3  -0.017338   0.013256   0.093199
+    1SOL     O4    4  -0.189627   0.064040   0.229835
+    1SOL     H5    5  -0.228488   0.131806   0.174519
+    1SOL     H6    6  -0.251817  -0.008625   0.226034
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/134/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066612  -0.043665   0.053090
+    0SOL     H3    3  -0.045346   0.023275  -0.081021
+    1SOL     O4    4   0.165871   0.153576   0.179028
+    1SOL     H5    5   0.123045   0.100110   0.112173
+    1SOL     H6    6   0.229611   0.094790   0.219571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/135/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068173  -0.065714  -0.014015
+    0SOL     H3    3  -0.075241  -0.049887   0.031818
+    1SOL     O4    4   0.032760  -0.234283   0.278525
+    1SOL     H5    5   0.102480  -0.221588   0.214180
+    1SOL     H6    6   0.076952  -0.271751   0.354718
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/136/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053084  -0.026791   0.075011
+    0SOL     H3    3  -0.033793   0.086254   0.024097
+    1SOL     O4    4   0.228687   0.021752  -0.150434
+    1SOL     H5    5   0.150578   0.020015  -0.095132
+    1SOL     H6    6   0.280365  -0.053384  -0.121344
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/137/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021154  -0.055032  -0.075408
+    0SOL     H3    3  -0.062481   0.072355  -0.004814
+    1SOL     O4    4  -0.113268  -0.329059   0.067030
+    1SOL     H5    5  -0.060160  -0.382459   0.126109
+    1SOL     H6    6  -0.153915  -0.392171   0.007640
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/138/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078723   0.051085  -0.018850
+    0SOL     H3    3  -0.028940  -0.031911  -0.085478
+    1SOL     O4    4  -0.270674  -0.138756   0.200245
+    1SOL     H5    5  -0.234998  -0.203611   0.139554
+    1SOL     H6    6  -0.359090  -0.169975   0.219483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/139/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009632   0.045965  -0.083407
+    0SOL     H3    3   0.080436  -0.050949  -0.009824
+    1SOL     O4    4   0.180995  -0.195796   0.027029
+    1SOL     H5    5   0.260325  -0.147920   0.003008
+    1SOL     H6    6   0.185013  -0.276321  -0.024564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/140/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083013   0.038647   0.027886
+    0SOL     H3    3  -0.023708  -0.058358  -0.072074
+    1SOL     O4    4   0.080705  -0.276121  -0.180331
+    1SOL     H5    5   0.059580  -0.302209  -0.090690
+    1SOL     H6    6   0.166850  -0.234927  -0.173668
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/141/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069909   0.061280   0.022799
+    0SOL     H3    3   0.025252  -0.039693   0.083361
+    1SOL     O4    4   0.099567  -0.089887   0.211450
+    1SOL     H5    5   0.182013  -0.137438   0.221634
+    1SOL     H6    6   0.031936  -0.154446   0.231959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/142/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064721   0.067547  -0.020271
+    0SOL     H3    3  -0.038033  -0.080795  -0.034467
+    1SOL     O4    4  -0.152272  -0.038985   0.230327
+    1SOL     H5    5  -0.094710  -0.007002   0.160858
+    1SOL     H6    6  -0.094282  -0.087279   0.289210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/143/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065444  -0.021909   0.066328
+    0SOL     H3    3  -0.048740   0.048219  -0.066795
+    1SOL     O4    4  -0.252929  -0.005958   0.157627
+    1SOL     H5    5  -0.209487   0.038899   0.230173
+    1SOL     H6    6  -0.288435   0.064618   0.103584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/144/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049871   0.073358   0.035969
+    0SOL     H3    3  -0.089523   0.033099  -0.007246
+    1SOL     O4    4   0.128253  -0.069129  -0.242404
+    1SOL     H5    5   0.070363  -0.047828  -0.169211
+    1SOL     H6    6   0.185055   0.007420  -0.251140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/145/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018653   0.070917  -0.061523
+    0SOL     H3    3  -0.060469  -0.069899  -0.024900
+    1SOL     O4    4   0.218884  -0.178877  -0.015470
+    1SOL     H5    5   0.234858  -0.216501   0.071084
+    1SOL     H6    6   0.157751  -0.106980   0.000525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/146/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033339  -0.035473  -0.082417
+    0SOL     H3    3  -0.076623   0.003769   0.057245
+    1SOL     O4    4  -0.176130  -0.126575  -0.176389
+    1SOL     H5    5  -0.220222  -0.099258  -0.256838
+    1SOL     H6    6  -0.246635  -0.158349  -0.119982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/147/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021443  -0.056788  -0.074011
+    0SOL     H3    3   0.012058  -0.060011   0.073591
+    1SOL     O4    4   0.254205  -0.121576  -0.180323
+    1SOL     H5    5   0.304501  -0.069219  -0.117942
+    1SOL     H6    6   0.319289  -0.153492  -0.242835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/148/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085508   0.043016  -0.000508
+    0SOL     H3    3  -0.014203  -0.081058   0.048890
+    1SOL     O4    4  -0.152761  -0.263828  -0.168000
+    1SOL     H5    5  -0.200073  -0.194544  -0.214083
+    1SOL     H6    6  -0.166943  -0.244968  -0.075234
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/149/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076279   0.015512   0.055707
+    0SOL     H3    3  -0.034564  -0.048161  -0.075154
+    1SOL     O4    4   0.139673  -0.157331   0.191077
+    1SOL     H5    5   0.181817  -0.239512   0.165929
+    1SOL     H6    6   0.113066  -0.117643   0.108135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/150/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050136   0.039138  -0.071532
+    0SOL     H3    3   0.037179   0.074689   0.046920
+    1SOL     O4    4   0.313542   0.021949   0.105811
+    1SOL     H5    5   0.383637  -0.030936   0.067705
+    1SOL     H6    6   0.276009   0.069185   0.031498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/151/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058099  -0.045664   0.060841
+    0SOL     H3    3   0.053509   0.056496   0.055743
+    1SOL     O4    4   0.218864  -0.154642   0.002460
+    1SOL     H5    5   0.148439  -0.093124  -0.017990
+    1SOL     H6    6   0.288424  -0.100128   0.039230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/152/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060658  -0.060606   0.042541
+    0SOL     H3    3   0.039037   0.049427   0.072079
+    1SOL     O4    4  -0.184129  -0.186522   0.088313
+    1SOL     H5    5  -0.254457  -0.167628   0.150437
+    1SOL     H6    6  -0.227844  -0.229925   0.015049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/153/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045803   0.071153   0.044741
+    0SOL     H3    3  -0.082519  -0.009123   0.047642
+    1SOL     O4    4   0.155356  -0.220788  -0.064564
+    1SOL     H5    5   0.107154  -0.289864  -0.110033
+    1SOL     H6    6   0.089690  -0.153479  -0.046683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/154/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054578  -0.038739   0.068432
+    0SOL     H3    3   0.050634   0.067580   0.045071
+    1SOL     O4    4   0.230313  -0.149111  -0.002350
+    1SOL     H5    5   0.155043  -0.090663  -0.011320
+    1SOL     H6    6   0.303289  -0.091101   0.019367
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/155/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051267  -0.057486   0.056828
+    0SOL     H3    3  -0.035656  -0.058189  -0.067119
+    1SOL     O4    4  -0.152511   0.195313   0.104759
+    1SOL     H5    5  -0.104105   0.128997   0.055552
+    1SOL     H6    6  -0.187464   0.254119   0.037807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/156/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066552   0.068175   0.009242
+    0SOL     H3    3  -0.040504  -0.065534  -0.056807
+    1SOL     O4    4   0.299109   0.019803   0.047295
+    1SOL     H5    5   0.265878  -0.063669   0.014271
+    1SOL     H6    6   0.349726  -0.003607   0.125091
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/157/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069975  -0.065218  -0.003520
+    0SOL     H3    3  -0.040879  -0.013254   0.085531
+    1SOL     O4    4  -0.171474   0.148032  -0.175879
+    1SOL     H5    5  -0.122768   0.079736  -0.129773
+    1SOL     H6    6  -0.216948   0.101736  -0.246242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/158/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048840   0.048646   0.066412
+    0SOL     H3    3   0.058781  -0.056567   0.050073
+    1SOL     O4    4   0.158749  -0.122257   0.171056
+    1SOL     H5    5   0.093021  -0.139067   0.238580
+    1SOL     H6    6   0.224699  -0.068301   0.214664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/159/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064649   0.069444  -0.012661
+    0SOL     H3    3  -0.047771  -0.003715  -0.082864
+    1SOL     O4    4  -0.233330  -0.005776   0.161245
+    1SOL     H5    5  -0.149945   0.019824   0.121825
+    1SOL     H6    6  -0.279765   0.076801   0.174925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/160/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054404  -0.055102  -0.056271
+    0SOL     H3    3   0.051214   0.079967   0.012033
+    1SOL     O4    4   0.235021  -0.079710   0.257185
+    1SOL     H5    5   0.152504  -0.127905   0.251666
+    1SOL     H6    6   0.265320  -0.073549   0.166597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/161/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023111   0.077453  -0.051275
+    0SOL     H3    3  -0.034055   0.018168   0.087593
+    1SOL     O4    4   0.233374   0.029270   0.310869
+    1SOL     H5    5   0.162816  -0.034334   0.322632
+    1SOL     H6    6   0.256804   0.055841   0.399792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/162/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019103  -0.074999  -0.056325
+    0SOL     H3    3  -0.068879  -0.001728   0.066446
+    1SOL     O4    4  -0.194825  -0.020884   0.168267
+    1SOL     H5    5  -0.145040  -0.054286   0.242887
+    1SOL     H6    6  -0.229368  -0.099222   0.125462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/163/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091036  -0.029572  -0.000517
+    0SOL     H3    3   0.022479   0.010097  -0.092493
+    1SOL     O4    4  -0.205488  -0.193261   0.032849
+    1SOL     H5    5  -0.273885  -0.149456   0.083499
+    1SOL     H6    6  -0.247381  -0.214750  -0.050491
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/164/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057364  -0.043415   0.063141
+    0SOL     H3    3   0.073947  -0.059888  -0.010378
+    1SOL     O4    4  -0.066563   0.139526  -0.211230
+    1SOL     H5    5  -0.059376   0.092341  -0.128259
+    1SOL     H6    6  -0.138149   0.201556  -0.197440
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/165/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045783  -0.061091  -0.057743
+    0SOL     H3    3   0.043529  -0.055876   0.064385
+    1SOL     O4    4  -0.201895   0.047306  -0.275323
+    1SOL     H5    5  -0.115876   0.088446  -0.266924
+    1SOL     H6    6  -0.187811  -0.025663  -0.335651
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/166/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055529  -0.048803   0.060804
+    0SOL     H3    3   0.060766   0.035116  -0.065089
+    1SOL     O4    4  -0.069826  -0.232293  -0.100870
+    1SOL     H5    5  -0.158888  -0.267337  -0.102375
+    1SOL     H6    6  -0.074711  -0.156850  -0.042161
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/167/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068105  -0.058316  -0.033517
+    0SOL     H3    3   0.079067  -0.053925   0.001700
+    1SOL     O4    4   0.113040   0.102120  -0.312400
+    1SOL     H5    5   0.152748   0.125366  -0.228464
+    1SOL     H6    6   0.038768   0.046375  -0.289194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/168/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092792   0.019456   0.013167
+    0SOL     H3    3   0.010271  -0.090004   0.030920
+    1SOL     O4    4   0.122300  -0.086801  -0.230356
+    1SOL     H5    5   0.063577  -0.044155  -0.167944
+    1SOL     H6    6   0.166234  -0.154838  -0.179335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/169/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.029590  -0.032921  -0.084871
+    0SOL     H3    3  -0.080628   0.022228   0.046555
+    1SOL     O4    4   0.170627  -0.183344   0.154638
+    1SOL     H5    5   0.132674  -0.126648   0.087501
+    1SOL     H6    6   0.221843  -0.124233   0.209820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/170/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051906  -0.041683   0.068779
+    0SOL     H3    3  -0.048723   0.079383  -0.022059
+    1SOL     O4    4   0.287032  -0.230506  -0.068416
+    1SOL     H5    5   0.248333  -0.185717  -0.143640
+    1SOL     H6    6   0.216972  -0.232857  -0.003236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/171/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050878   0.040181   0.070422
+    0SOL     H3    3   0.064865   0.066318  -0.023596
+    1SOL     O4    4   0.187294   0.210228  -0.082419
+    1SOL     H5    5   0.257115   0.201885  -0.147363
+    1SOL     H6    6   0.125971   0.272778  -0.121011
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/172/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060770  -0.023446  -0.070140
+    0SOL     H3    3   0.055570   0.037317   0.068423
+    1SOL     O4    4   0.129926  -0.056389  -0.231377
+    1SOL     H5    5   0.222296  -0.081023  -0.236198
+    1SOL     H6    6   0.129197   0.037635  -0.249303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/173/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063879  -0.065490  -0.028159
+    0SOL     H3    3   0.084461  -0.044599  -0.006295
+    1SOL     O4    4  -0.080430   0.232327  -0.102028
+    1SOL     H5    5  -0.019532   0.297462  -0.136827
+    1SOL     H6    6  -0.024572   0.168658  -0.057437
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/174/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010128   0.053849   0.078486
+    0SOL     H3    3  -0.076343  -0.057739   0.000495
+    1SOL     O4    4  -0.086087   0.112918  -0.222739
+    1SOL     H5    5  -0.153546   0.180603  -0.228253
+    1SOL     H6    6  -0.064637   0.107947  -0.129586
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/175/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003211  -0.056690  -0.077060
+    0SOL     H3    3  -0.066748   0.066615  -0.016415
+    1SOL     O4    4  -0.288096  -0.133593   0.183359
+    1SOL     H5    5  -0.234498  -0.196811   0.135472
+    1SOL     H6    6  -0.224993  -0.072145   0.220836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/176/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039310   0.067244   0.055636
+    0SOL     H3    3  -0.053163   0.048889  -0.062817
+    1SOL     O4    4   0.155598   0.165622   0.169441
+    1SOL     H5    5   0.211936   0.174579   0.092576
+    1SOL     H6    6   0.212939   0.129755   0.237175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/177/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065538   0.066101   0.022311
+    0SOL     H3    3   0.051990   0.040271  -0.069552
+    1SOL     O4    4  -0.137853   0.217637   0.063999
+    1SOL     H5    5  -0.091786   0.287659   0.110227
+    1SOL     H6    6  -0.212647   0.197024   0.120064
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/178/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085826   0.038184   0.018391
+    0SOL     H3    3   0.060995   0.073403   0.007341
+    1SOL     O4    4   0.099837   0.294477  -0.178047
+    1SOL     H5    5   0.171225   0.336723  -0.225811
+    1SOL     H6    6   0.037920   0.365194  -0.159946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/179/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065668   0.021849  -0.066126
+    0SOL     H3    3  -0.044581   0.082807   0.017827
+    1SOL     O4    4   0.210936  -0.016771  -0.167501
+    1SOL     H5    5   0.262658  -0.078995  -0.116360
+    1SOL     H6    6   0.178369  -0.067841  -0.241619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/180/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061360  -0.024928   0.069108
+    0SOL     H3    3   0.041603   0.079845   0.032500
+    1SOL     O4    4  -0.177853   0.140808  -0.184978
+    1SOL     H5    5  -0.128856   0.065741  -0.151414
+    1SOL     H6    6  -0.229487   0.105345  -0.257356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/181/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061588   0.039188  -0.061916
+    0SOL     H3    3  -0.043783  -0.068862  -0.050034
+    1SOL     O4    4   0.169218   0.086295  -0.241177
+    1SOL     H5    5   0.251738   0.132522  -0.255873
+    1SOL     H6    6   0.102216   0.154425  -0.246783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/182/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086871   0.038792   0.010529
+    0SOL     H3    3  -0.000950  -0.076835   0.057078
+    1SOL     O4    4   0.196538   0.196392   0.011264
+    1SOL     H5    5   0.218799   0.246192   0.089920
+    1SOL     H6    6   0.129848   0.134180   0.040321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/183/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021473   0.074070   0.056700
+    0SOL     H3    3  -0.022240   0.039845  -0.084143
+    1SOL     O4    4  -0.087483   0.129616  -0.234339
+    1SOL     H5    5  -0.090768   0.071052  -0.309981
+    1SOL     H6    6  -0.154742   0.195399  -0.251979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/184/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073133  -0.053764   0.030386
+    0SOL     H3    3   0.063437  -0.062946  -0.034291
+    1SOL     O4    4   0.225765  -0.129722  -0.057639
+    1SOL     H5    5   0.230668  -0.163186  -0.147184
+    1SOL     H6    6   0.301745  -0.072095  -0.049361
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/185/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039763   0.070748   0.050754
+    0SOL     H3    3   0.059069  -0.074344   0.012092
+    1SOL     O4    4   0.119836   0.216704   0.103566
+    1SOL     H5    5   0.066330   0.292699   0.126463
+    1SOL     H6    6   0.185612   0.251012   0.043078
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/186/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041509  -0.072562   0.046627
+    0SOL     H3    3  -0.085345  -0.034240  -0.026575
+    1SOL     O4    4   0.168059   0.059541  -0.214215
+    1SOL     H5    5   0.228383  -0.013985  -0.225041
+    1SOL     H6    6   0.108150   0.031447  -0.145049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/187/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069045  -0.052292  -0.040751
+    0SOL     H3    3  -0.059238  -0.064456   0.038713
+    1SOL     O4    4  -0.074888   0.234652  -0.151074
+    1SOL     H5    5  -0.060528   0.217496  -0.244142
+    1SOL     H6    6  -0.052655   0.152235  -0.107768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/188/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081155   0.050702   0.002363
+    0SOL     H3    3  -0.018767  -0.077794   0.052519
+    1SOL     O4    4   0.088280  -0.239579   0.148829
+    1SOL     H5    5   0.031872  -0.314925   0.166248
+    1SOL     H6    6   0.155758  -0.273239   0.089871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/189/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038467  -0.087651  -0.000143
+    0SOL     H3    3   0.077752  -0.007824  -0.055279
+    1SOL     O4    4  -0.212598  -0.163903  -0.008501
+    1SOL     H5    5  -0.281753  -0.166856   0.057614
+    1SOL     H6    6  -0.235962  -0.089777  -0.064374
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/190/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045883   0.080993   0.022297
+    0SOL     H3    3   0.047687   0.020774  -0.080354
+    1SOL     O4    4   0.170216   0.038387  -0.198039
+    1SOL     H5    5   0.221356   0.105468  -0.243284
+    1SOL     H6    6   0.123499  -0.007383  -0.267931
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/191/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044832  -0.079182  -0.029710
+    0SOL     H3    3  -0.064261  -0.031267   0.063681
+    1SOL     O4    4  -0.092513  -0.341586   0.079078
+    1SOL     H5    5  -0.103266  -0.291585   0.159990
+    1SOL     H6    6  -0.172379  -0.393926   0.072418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/192/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049265  -0.081401   0.010450
+    0SOL     H3    3   0.056264  -0.015569  -0.075857
+    1SOL     O4    4   0.086052  -0.359311  -0.094956
+    1SOL     H5    5   0.167942  -0.407552  -0.106320
+    1SOL     H6    6   0.083435  -0.298696  -0.168992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/193/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061427   0.072823   0.009267
+    0SOL     H3    3   0.002820  -0.040214   0.086817
+    1SOL     O4    4   0.114221  -0.319967  -0.023710
+    1SOL     H5    5   0.180619  -0.259791  -0.057362
+    1SOL     H6    6   0.164184  -0.393905   0.010919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/194/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050536  -0.055601   0.059304
+    0SOL     H3    3  -0.051169  -0.061387  -0.052685
+    1SOL     O4    4   0.247291  -0.238368  -0.080600
+    1SOL     H5    5   0.279743  -0.200555  -0.162328
+    1SOL     H6    6   0.245458  -0.164926  -0.019240
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/195/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055202   0.055223  -0.055367
+    0SOL     H3    3  -0.057457  -0.027336   0.071510
+    1SOL     O4    4   0.114456   0.190885   0.151185
+    1SOL     H5    5   0.099407   0.106659   0.108268
+    1SOL     H6    6   0.040357   0.245143   0.124211
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/196/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016335  -0.054019  -0.077314
+    0SOL     H3    3   0.079778   0.051878   0.010321
+    1SOL     O4    4   0.250122  -0.168005  -0.204108
+    1SOL     H5    5   0.328583  -0.192830  -0.252995
+    1SOL     H6    6   0.283500  -0.130072  -0.122811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/197/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075949  -0.043261   0.039020
+    0SOL     H3    3   0.022291   0.069660   0.061748
+    1SOL     O4    4  -0.009004  -0.215537   0.274749
+    1SOL     H5    5  -0.077625  -0.222630   0.341105
+    1SOL     H6    6  -0.046331  -0.257202   0.197076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/198/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063946  -0.017456  -0.069054
+    0SOL     H3    3  -0.050987   0.074123  -0.032686
+    1SOL     O4    4  -0.001975  -0.248820  -0.255786
+    1SOL     H5    5   0.079985  -0.225252  -0.299255
+    1SOL     H6    6   0.024959  -0.302535  -0.181278
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/199/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016238   0.094229   0.004425
+    0SOL     H3    3   0.056242  -0.011087  -0.076656
+    1SOL     O4    4  -0.212467   0.052382  -0.243558
+    1SOL     H5    5  -0.130101   0.097639  -0.261724
+    1SOL     H6    6  -0.279816   0.109165  -0.281002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/200/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047780   0.058165  -0.059129
+    0SOL     H3    3  -0.061603  -0.017870   0.071050
+    1SOL     O4    4   0.146914  -0.235454  -0.067598
+    1SOL     H5    5   0.097933  -0.160130  -0.034592
+    1SOL     H6    6   0.196855  -0.266561   0.007904
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/201/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039370   0.065482   0.057658
+    0SOL     H3    3  -0.078334  -0.029093   0.046687
+    1SOL     O4    4   0.218845  -0.168607  -0.009091
+    1SOL     H5    5   0.133795  -0.124750  -0.006763
+    1SOL     H6    6   0.275422  -0.114175   0.045668
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/202/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021568   0.052428  -0.077126
+    0SOL     H3    3  -0.065109  -0.070165   0.000296
+    1SOL     O4    4   0.195551  -0.212439   0.080290
+    1SOL     H5    5   0.284603  -0.177870   0.086386
+    1SOL     H6    6   0.143062  -0.138336   0.050027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/203/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074813   0.028579   0.052427
+    0SOL     H3    3   0.057100  -0.045055   0.062225
+    1SOL     O4    4   0.172381  -0.121530   0.194333
+    1SOL     H5    5   0.225149  -0.194936   0.162877
+    1SOL     H6    6   0.235695  -0.061771   0.234116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/204/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015719   0.078905   0.051858
+    0SOL     H3    3  -0.020517   0.032572  -0.087638
+    1SOL     O4    4  -0.071181   0.138396  -0.209964
+    1SOL     H5    5  -0.056003   0.075567  -0.280565
+    1SOL     H6    6   0.007292   0.193205  -0.209332
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/205/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081632   0.028513  -0.041055
+    0SOL     H3    3   0.026338  -0.031441   0.086487
+    1SOL     O4    4  -0.045059   0.289707  -0.221959
+    1SOL     H5    5  -0.054524   0.341115  -0.302146
+    1SOL     H6    6   0.029047   0.231650  -0.239279
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/206/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044048  -0.044233   0.072564
+    0SOL     H3    3  -0.054213  -0.067909  -0.040144
+    1SOL     O4    4  -0.106582  -0.202150  -0.167641
+    1SOL     H5    5  -0.176334  -0.263974  -0.145850
+    1SOL     H6    6  -0.115017  -0.188750  -0.262042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/207/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095049   0.010112  -0.005084
+    0SOL     H3    3   0.033368   0.089512   0.006040
+    1SOL     O4    4  -0.238297   0.126356   0.022013
+    1SOL     H5    5  -0.315381   0.089402   0.065079
+    1SOL     H6    6  -0.190953   0.171328   0.092001
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/208/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048406   0.026534   0.078199
+    0SOL     H3    3  -0.025999   0.082378  -0.041234
+    1SOL     O4    4  -0.148560  -0.224123   0.073231
+    1SOL     H5    5  -0.098837  -0.146773   0.046645
+    1SOL     H6    6  -0.221133  -0.189354   0.125063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/209/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.029188  -0.053065   0.074125
+    0SOL     H3    3  -0.066840   0.067970  -0.008651
+    1SOL     O4    4   0.243165   0.135233  -0.021532
+    1SOL     H5    5   0.203926   0.197669  -0.082560
+    1SOL     H6    6   0.175384   0.069000  -0.008071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/210/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055042   0.072728   0.029041
+    0SOL     H3    3   0.061441   0.039593  -0.061804
+    1SOL     O4    4  -0.100050  -0.231307  -0.123163
+    1SOL     H5    5  -0.085547  -0.154417  -0.068027
+    1SOL     H6    6  -0.075201  -0.202812  -0.211100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/211/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036459   0.087608  -0.012565
+    0SOL     H3    3   0.094389   0.014113   0.007338
+    1SOL     O4    4  -0.136076  -0.086296   0.238789
+    1SOL     H5    5  -0.071113  -0.035185   0.190521
+    1SOL     H6    6  -0.192340  -0.123741   0.171006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/212/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020092   0.019095  -0.091619
+    0SOL     H3    3   0.060678  -0.073941  -0.003645
+    1SOL     O4    4  -0.173959  -0.195578  -0.052509
+    1SOL     H5    5  -0.264527  -0.165015  -0.047457
+    1SOL     H6    6  -0.123279  -0.128002  -0.007482
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/213/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060502   0.046959   0.057417
+    0SOL     H3    3   0.070503  -0.028911   0.057929
+    1SOL     O4    4  -0.326335   0.007679  -0.115874
+    1SOL     H5    5  -0.271285   0.035687  -0.189000
+    1SOL     H6    6  -0.382285  -0.060669  -0.152758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/214/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050528  -0.081285  -0.001372
+    0SOL     H3    3  -0.079365  -0.021898   0.048826
+    1SOL     O4    4   0.151115  -0.215328  -0.070564
+    1SOL     H5    5   0.217223  -0.187205  -0.133819
+    1SOL     H6    6   0.106895  -0.288784  -0.113121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/215/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062911   0.018361  -0.069766
+    0SOL     H3    3  -0.068956  -0.050881  -0.042645
+    1SOL     O4    4  -0.199067   0.177630   0.116254
+    1SOL     H5    5  -0.179794   0.090924   0.080577
+    1SOL     H6    6  -0.267129   0.162053   0.181731
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/216/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060882  -0.058113   0.045591
+    0SOL     H3    3   0.048888   0.081433  -0.011872
+    1SOL     O4    4  -0.108697   0.330049   0.012692
+    1SOL     H5    5  -0.137529   0.312584  -0.076896
+    1SOL     H6    6  -0.035336   0.390748   0.002890
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/217/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085672   0.040001  -0.014917
+    0SOL     H3    3  -0.010800  -0.061387  -0.072645
+    1SOL     O4    4  -0.191071  -0.036517   0.193338
+    1SOL     H5    5  -0.239645  -0.113480   0.163682
+    1SOL     H6    6  -0.134187  -0.014181   0.119665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/218/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043359  -0.041926   0.074327
+    0SOL     H3    3   0.068711   0.008723  -0.066069
+    1SOL     O4    4   0.158855  -0.113690   0.193140
+    1SOL     H5    5   0.227521  -0.148446   0.136224
+    1SOL     H6    6   0.205305  -0.083921   0.271361
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/219/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049743   0.076770  -0.028183
+    0SOL     H3    3  -0.039946  -0.033509  -0.080273
+    1SOL     O4    4   0.156615   0.189229  -0.120794
+    1SOL     H5    5   0.142120   0.269216  -0.171334
+    1SOL     H6    6   0.230735   0.146696  -0.163915
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/220/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085882  -0.042158  -0.003050
+    0SOL     H3    3   0.058414  -0.067069   0.035382
+    1SOL     O4    4   0.193298  -0.200489   0.049112
+    1SOL     H5    5   0.191329  -0.256006   0.127063
+    1SOL     H6    6   0.256243  -0.131566   0.070320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/221/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061690  -0.030228   0.066655
+    0SOL     H3    3   0.069893  -0.065399   0.000565
+    1SOL     O4    4   0.136047   0.136550   0.184840
+    1SOL     H5    5   0.094498   0.115370   0.101249
+    1SOL     H6    6   0.188392   0.214570   0.166535
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/222/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012660  -0.079301  -0.052090
+    0SOL     H3    3  -0.044316  -0.018366   0.082832
+    1SOL     O4    4   0.190792   0.002050   0.263821
+    1SOL     H5    5   0.143643   0.080384   0.292159
+    1SOL     H6    6   0.243063  -0.023331   0.339886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/223/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057124   0.040729  -0.065118
+    0SOL     H3    3  -0.060027  -0.038815   0.063658
+    1SOL     O4    4   0.077215   0.284960  -0.215728
+    1SOL     H5    5  -0.018096   0.276573  -0.212928
+    1SOL     H6    6   0.095857   0.363950  -0.164979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/224/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036275  -0.083067  -0.030762
+    0SOL     H3    3  -0.065283   0.023558  -0.065920
+    1SOL     O4    4  -0.188148   0.111383  -0.140773
+    1SOL     H5    5  -0.134653   0.186242  -0.167169
+    1SOL     H6    6  -0.202285   0.062262  -0.221703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/225/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074783   0.028244  -0.052651
+    0SOL     H3    3   0.038909  -0.034727   0.080265
+    1SOL     O4    4   0.163618   0.194960   0.164014
+    1SOL     H5    5   0.122351   0.254602   0.101547
+    1SOL     H6    6   0.094639   0.175009   0.227309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/226/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078179   0.020302   0.051363
+    0SOL     H3    3  -0.033763  -0.038180  -0.081022
+    1SOL     O4    4   0.191913   0.090443   0.221167
+    1SOL     H5    5   0.101848   0.121614   0.230051
+    1SOL     H6    6   0.197364   0.015571   0.280554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/227/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057583  -0.068356   0.034263
+    0SOL     H3    3  -0.059302   0.070396  -0.026266
+    1SOL     O4    4   0.045236  -0.082135   0.362123
+    1SOL     H5    5  -0.027164  -0.019922   0.369201
+    1SOL     H6    6   0.032600  -0.142128   0.435632
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/228/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058464  -0.046844   0.059581
+    0SOL     H3    3  -0.028538  -0.066402  -0.062759
+    1SOL     O4    4   0.181131   0.149873  -0.058655
+    1SOL     H5    5   0.095936   0.116874  -0.030103
+    1SOL     H6    6   0.185996   0.238317  -0.022376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/229/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024199  -0.080274  -0.046183
+    0SOL     H3    3  -0.049446   0.068984  -0.044257
+    1SOL     O4    4  -0.193053  -0.080971   0.203028
+    1SOL     H5    5  -0.115347  -0.060201   0.151136
+    1SOL     H6    6  -0.158430  -0.115088   0.285487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/230/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050487   0.072186   0.037452
+    0SOL     H3    3  -0.048952   0.039771  -0.072002
+    1SOL     O4    4   0.127450   0.158359   0.203229
+    1SOL     H5    5   0.055819   0.205148   0.246149
+    1SOL     H6    6   0.185297   0.227447   0.170935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/231/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067627  -0.028128  -0.061626
+    0SOL     H3    3  -0.046195   0.070386  -0.045543
+    1SOL     O4    4   0.208033  -0.192898   0.132830
+    1SOL     H5    5   0.135367  -0.175473   0.192649
+    1SOL     H6    6   0.166234  -0.225672   0.053199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/232/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073856  -0.059297   0.013839
+    0SOL     H3    3  -0.031311   0.020311   0.088144
+    1SOL     O4    4  -0.132613   0.093009   0.224600
+    1SOL     H5    5  -0.112535   0.048495   0.306926
+    1SOL     H6    6  -0.100246   0.182227   0.237044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/233/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093925   0.009966   0.015527
+    0SOL     H3    3   0.021838  -0.084826   0.038600
+    1SOL     O4    4   0.177063   0.191111   0.013007
+    1SOL     H5    5   0.156790   0.246010  -0.062739
+    1SOL     H6    6   0.106495   0.126484   0.015381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/234/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073158   0.021232  -0.057961
+    0SOL     H3    3   0.039575  -0.007511   0.086832
+    1SOL     O4    4   0.067055  -0.132908   0.226372
+    1SOL     H5    5   0.069354  -0.076877   0.303945
+    1SOL     H6    6   0.141701  -0.191855   0.237124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/235/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022825   0.079359   0.048409
+    0SOL     H3    3   0.050109   0.006245  -0.081316
+    1SOL     O4    4   0.148465  -0.214558   0.082395
+    1SOL     H5    5   0.129693  -0.254347  -0.002615
+    1SOL     H6    6   0.085715  -0.142636   0.089611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/236/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045700  -0.083695  -0.008307
+    0SOL     H3    3  -0.020878   0.024982  -0.090013
+    1SOL     O4    4  -0.165506   0.181277  -0.165339
+    1SOL     H5    5  -0.098994   0.247514  -0.184080
+    1SOL     H6    6  -0.201629   0.158622  -0.251037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/237/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077921  -0.055004  -0.008068
+    0SOL     H3    3   0.004875   0.059629  -0.074719
+    1SOL     O4    4   0.044152  -0.172917   0.316289
+    1SOL     H5    5   0.111904  -0.105407   0.312486
+    1SOL     H6    6   0.085877  -0.246273   0.361458
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/238/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084779   0.028200  -0.034344
+    0SOL     H3    3  -0.021988  -0.077788  -0.051263
+    1SOL     O4    4  -0.193016   0.199407   0.006853
+    1SOL     H5    5  -0.213199   0.240071  -0.077417
+    1SOL     H6    6  -0.125611   0.134516  -0.013344
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/239/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062087   0.045592   0.056824
+    0SOL     H3    3  -0.005139   0.054489  -0.078530
+    1SOL     O4    4   0.136662   0.105326   0.196276
+    1SOL     H5    5   0.048965   0.131269   0.224534
+    1SOL     H6    6   0.156329   0.027109   0.247827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/240/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060335   0.030870   0.067595
+    0SOL     H3    3  -0.054876  -0.011942  -0.077513
+    1SOL     O4    4  -0.160183   0.086842   0.249406
+    1SOL     H5    5  -0.248218   0.115552   0.273654
+    1SOL     H6    6  -0.103555   0.160181   0.273427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/241/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022641  -0.033593  -0.086725
+    0SOL     H3    3   0.011569  -0.074868   0.058508
+    1SOL     O4    4   0.190021   0.174161   0.066895
+    1SOL     H5    5   0.140325   0.092597   0.073206
+    1SOL     H6    6   0.175217   0.217835   0.150775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/242/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065025  -0.002613  -0.070194
+    0SOL     H3    3   0.032879  -0.061596   0.065477
+    1SOL     O4    4  -0.160630  -0.171209  -0.143443
+    1SOL     H5    5  -0.108099  -0.121737  -0.080552
+    1SOL     H6    6  -0.198051  -0.104602  -0.201109
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/243/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090723  -0.030117   0.004965
+    0SOL     H3    3   0.004569   0.081907  -0.049322
+    1SOL     O4    4   0.146171   0.270968   0.122117
+    1SOL     H5    5   0.054404   0.296966   0.130192
+    1SOL     H6    6   0.149820   0.183480   0.160780
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/244/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082444  -0.022789   0.042964
+    0SOL     H3    3  -0.025706   0.056658  -0.072742
+    1SOL     O4    4  -0.078009   0.162459  -0.195532
+    1SOL     H5    5  -0.079134   0.104277  -0.271532
+    1SOL     H6    6  -0.000077   0.216635  -0.207935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/245/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020096  -0.030232   0.088569
+    0SOL     H3    3  -0.008309  -0.078233  -0.054525
+    1SOL     O4    4  -0.056896  -0.233945  -0.149816
+    1SOL     H5    5   0.025860  -0.280273  -0.162754
+    1SOL     H6    6  -0.122820  -0.291146  -0.189116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/246/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063257   0.038443   0.060687
+    0SOL     H3    3  -0.053285  -0.050595  -0.061344
+    1SOL     O4    4   0.147662   0.247608  -0.018777
+    1SOL     H5    5   0.107952   0.164477   0.007198
+    1SOL     H6    6   0.202721   0.272170   0.055570
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/247/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068849   0.044150   0.049728
+    0SOL     H3    3   0.040097  -0.081956  -0.028945
+    1SOL     O4    4  -0.163855  -0.105323   0.188344
+    1SOL     H5    5  -0.126605  -0.068424   0.108262
+    1SOL     H6    6  -0.243983  -0.149087   0.159593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/248/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012649   0.085608   0.040910
+    0SOL     H3    3   0.072772  -0.039162   0.048300
+    1SOL     O4    4   0.161320   0.084515  -0.226680
+    1SOL     H5    5   0.115670   0.125024  -0.300419
+    1SOL     H6    6   0.092506   0.039578  -0.177613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/249/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083818   0.029656  -0.035459
+    0SOL     H3    3  -0.015546  -0.084344  -0.042505
+    1SOL     O4    4  -0.083478  -0.257395  -0.124140
+    1SOL     H5    5  -0.162983  -0.310685  -0.122953
+    1SOL     H6    6  -0.068785  -0.238273  -0.216772
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/250/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007224   0.011819   0.094712
+    0SOL     H3    3   0.076303  -0.056666  -0.011363
+    1SOL     O4    4   0.205715  -0.164473  -0.004613
+    1SOL     H5    5   0.284278  -0.120643  -0.037310
+    1SOL     H6    6   0.187904  -0.233007  -0.069019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/251/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003982  -0.054674  -0.078468
+    0SOL     H3    3   0.039122  -0.056482   0.066645
+    1SOL     O4    4  -0.171436   0.204548  -0.046565
+    1SOL     H5    5  -0.264438   0.182006  -0.044385
+    1SOL     H6    6  -0.126666   0.124355  -0.019600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/252/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008446   0.086458  -0.040200
+    0SOL     H3    3   0.084113  -0.042538  -0.016670
+    1SOL     O4    4  -0.180201   0.075543   0.204159
+    1SOL     H5    5  -0.225702  -0.004156   0.231361
+    1SOL     H6    6  -0.130426   0.049498   0.126658
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/253/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065384  -0.026616   0.064645
+    0SOL     H3    3   0.064431  -0.070787   0.000487
+    1SOL     O4    4   0.221937  -0.190457  -0.027649
+    1SOL     H5    5   0.259851  -0.250739   0.036311
+    1SOL     H6    6   0.279260  -0.113834  -0.025328
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/254/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066800   0.043775   0.052763
+    0SOL     H3    3   0.050105  -0.051874   0.062935
+    1SOL     O4    4  -0.266188  -0.236848   0.069111
+    1SOL     H5    5  -0.176082  -0.267515   0.058971
+    1SOL     H6    6  -0.277986  -0.227872   0.163676
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/255/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082291   0.041513  -0.025828
+    0SOL     H3    3  -0.024345  -0.053903  -0.075261
+    1SOL     O4    4  -0.174739   0.216467  -0.041156
+    1SOL     H5    5  -0.188945   0.252991  -0.128485
+    1SOL     H6    6  -0.109954   0.147247  -0.054340
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/256/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069342  -0.019589  -0.063010
+    0SOL     H3    3  -0.055423   0.064131  -0.044473
+    1SOL     O4    4   0.114450  -0.068783  -0.238328
+    1SOL     H5    5   0.200957  -0.109560  -0.242353
+    1SOL     H6    6   0.118913   0.003231  -0.301227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/257/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047019  -0.018500  -0.081297
+    0SOL     H3    3   0.025878  -0.070559   0.059279
+    1SOL     O4    4  -0.195784   0.198973   0.024649
+    1SOL     H5    5  -0.129748   0.218202   0.091221
+    1SOL     H6    6  -0.162563   0.121313  -0.020380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/258/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069653   0.062913   0.018781
+    0SOL     H3    3  -0.042159  -0.067198  -0.053566
+    1SOL     O4    4  -0.184102   0.176339   0.077457
+    1SOL     H5    5  -0.245992   0.198370   0.007839
+    1SOL     H6    6  -0.148487   0.260653   0.105474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/259/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029578  -0.066297   0.062387
+    0SOL     H3    3  -0.089239   0.020847   0.027641
+    1SOL     O4    4   0.089826  -0.310842  -0.058089
+    1SOL     H5    5   0.150116  -0.265855  -0.117281
+    1SOL     H6    6   0.046240  -0.375908  -0.113126
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/260/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037997   0.045499   0.075155
+    0SOL     H3    3  -0.052416   0.066650  -0.044415
+    1SOL     O4    4   0.175575  -0.042752  -0.193795
+    1SOL     H5    5   0.113108  -0.104272  -0.232208
+    1SOL     H6    6   0.140503  -0.024190  -0.106688
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/261/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018718   0.083611   0.042675
+    0SOL     H3    3   0.069069  -0.058668   0.030821
+    1SOL     O4    4  -0.395908   0.081818  -0.080645
+    1SOL     H5    5  -0.366504   0.105091   0.007424
+    1SOL     H6    6  -0.462717   0.014706  -0.066687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/262/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064629  -0.048484  -0.051329
+    0SOL     H3    3  -0.060185   0.036078  -0.065104
+    1SOL     O4    4   0.029856   0.138195   0.230488
+    1SOL     H5    5   0.036818   0.089374   0.148449
+    1SOL     H6    6   0.108190   0.193171   0.232421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/263/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011897   0.061985   0.071963
+    0SOL     H3    3   0.038002   0.043957  -0.076065
+    1SOL     O4    4  -0.189222  -0.188893  -0.027458
+    1SOL     H5    5  -0.113931  -0.132468  -0.045059
+    1SOL     H6    6  -0.253239  -0.131192   0.014192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/264/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055800  -0.060776   0.048528
+    0SOL     H3    3   0.056775   0.035172  -0.068570
+    1SOL     O4    4  -0.291061  -0.121226   0.123722
+    1SOL     H5    5  -0.214580  -0.176297   0.140460
+    1SOL     H6    6  -0.271449  -0.077454   0.040886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/265/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006488   0.051521   0.080410
+    0SOL     H3    3  -0.080595  -0.050592   0.010351
+    1SOL     O4    4   0.057527   0.197878   0.176697
+    1SOL     H5    5   0.112091   0.244957   0.113699
+    1SOL     H6    6   0.021138   0.266353   0.232816
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/266/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077480   0.054481  -0.013819
+    0SOL     H3    3  -0.001790  -0.021029   0.093364
+    1SOL     O4    4  -0.118405  -0.046444   0.246219
+    1SOL     H5    5  -0.176824  -0.110795   0.206113
+    1SOL     H6    6  -0.072788  -0.094995   0.314952
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/267/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047334  -0.080426   0.021297
+    0SOL     H3    3  -0.056876   0.045612  -0.062023
+    1SOL     O4    4   0.135500   0.187566   0.134893
+    1SOL     H5    5   0.067958   0.129412   0.099983
+    1SOL     H6    6   0.181252   0.134688   0.200261
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083307   0.042098  -0.021213
+    0SOL     H3    3  -0.013809  -0.062918  -0.070802
+    1SOL     O4    4  -0.075640  -0.241086  -0.157798
+    1SOL     H5    5  -0.120942  -0.186358  -0.221946
+    1SOL     H6    6  -0.137632  -0.249451  -0.085345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/269/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085900  -0.042192  -0.001816
+    0SOL     H3    3  -0.062419  -0.072513  -0.002848
+    1SOL     O4    4   0.257716  -0.136107   0.006455
+    1SOL     H5    5   0.310367  -0.173403   0.077161
+    1SOL     H6    6   0.321298  -0.113373  -0.061389
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/270/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016553   0.062964   0.070170
+    0SOL     H3    3   0.047936   0.034739  -0.075217
+    1SOL     O4    4   0.134917   0.045070  -0.217812
+    1SOL     H5    5   0.098055   0.074659  -0.301046
+    1SOL     H6    6   0.182447   0.121073  -0.184244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/271/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033425  -0.008859   0.089256
+    0SOL     H3    3   0.063014   0.057330  -0.043644
+    1SOL     O4    4   0.097328  -0.010057   0.243338
+    1SOL     H5    5   0.098755   0.054962   0.313572
+    1SOL     H6    6   0.172603   0.012153   0.188541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/272/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077017  -0.049481   0.027970
+    0SOL     H3    3  -0.000784   0.078557   0.054685
+    1SOL     O4    4   0.111053  -0.302545  -0.207336
+    1SOL     H5    5   0.070642  -0.238978  -0.266400
+    1SOL     H6    6   0.041523  -0.365668  -0.188807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/273/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030832   0.024159  -0.087339
+    0SOL     H3    3  -0.072660  -0.060221  -0.016006
+    1SOL     O4    4   0.206482  -0.189520   0.057323
+    1SOL     H5    5   0.184059  -0.234655  -0.024054
+    1SOL     H6    6   0.132092  -0.131620   0.073936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/274/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075355   0.038685  -0.044580
+    0SOL     H3    3  -0.020953  -0.077916  -0.051502
+    1SOL     O4    4  -0.264105  -0.127768   0.195168
+    1SOL     H5    5  -0.299558  -0.089084   0.115112
+    1SOL     H6    6  -0.181568  -0.167870   0.167934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/275/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047724  -0.082974  -0.000190
+    0SOL     H3    3   0.061077   0.062727   0.038694
+    1SOL     O4    4   0.150314  -0.229500  -0.021746
+    1SOL     H5    5   0.177432  -0.282082   0.053500
+    1SOL     H6    6   0.105025  -0.291291  -0.079133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/276/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082833  -0.047749   0.004580
+    0SOL     H3    3   0.066456  -0.068146  -0.010103
+    1SOL     O4    4  -0.204182  -0.176227   0.041398
+    1SOL     H5    5  -0.268142  -0.171579   0.112460
+    1SOL     H6    6  -0.156000  -0.257306   0.057740
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/277/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093065  -0.021146  -0.007353
+    0SOL     H3    3  -0.012145   0.075295  -0.057840
+    1SOL     O4    4  -0.124498   0.221263  -0.115000
+    1SOL     H5    5  -0.182250   0.184267  -0.181771
+    1SOL     H6    6  -0.179863   0.229671  -0.037370
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/278/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069292   0.020604   0.062741
+    0SOL     H3    3   0.041401  -0.078881   0.035015
+    1SOL     O4    4   0.213888   0.151710  -0.070247
+    1SOL     H5    5   0.263433   0.078691  -0.033154
+    1SOL     H6    6   0.122597   0.131768  -0.049495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/279/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075316  -0.055189   0.021069
+    0SOL     H3    3  -0.049493   0.005294   0.081760
+    1SOL     O4    4  -0.090265   0.219605  -0.123896
+    1SOL     H5    5  -0.155049   0.249286  -0.059987
+    1SOL     H6    6  -0.043034   0.149294  -0.079310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/280/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024349   0.059596   0.070836
+    0SOL     H3    3   0.049916   0.030915  -0.075597
+    1SOL     O4    4  -0.100620   0.266948  -0.105716
+    1SOL     H5    5  -0.162797   0.329637  -0.142681
+    1SOL     H6    6  -0.147918   0.226167  -0.033175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/281/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082722  -0.005188  -0.047880
+    0SOL     H3    3  -0.038709   0.082982  -0.027892
+    1SOL     O4    4  -0.165379  -0.190625   0.068046
+    1SOL     H5    5  -0.110464  -0.246384   0.123161
+    1SOL     H6    6  -0.109094  -0.116682   0.045094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/282/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015306  -0.038051  -0.086488
+    0SOL     H3    3  -0.078078   0.052625   0.017226
+    1SOL     O4    4  -0.065939  -0.067223  -0.260929
+    1SOL     H5    5  -0.011847  -0.092537  -0.335732
+    1SOL     H6    6  -0.115367   0.008762  -0.291677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/283/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079678   0.043211  -0.030765
+    0SOL     H3    3  -0.028346  -0.053617  -0.074054
+    1SOL     O4    4  -0.098365  -0.221189  -0.146677
+    1SOL     H5    5  -0.060135  -0.306191  -0.168482
+    1SOL     H6    6  -0.134478  -0.189199  -0.229350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/284/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038097  -0.029294   0.082781
+    0SOL     H3    3  -0.059655  -0.070475  -0.025234
+    1SOL     O4    4  -0.186402  -0.161951  -0.130707
+    1SOL     H5    5  -0.133741  -0.199124  -0.201469
+    1SOL     H6    6  -0.245491  -0.232742  -0.105029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/285/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072777   0.054373   0.030156
+    0SOL     H3    3   0.041624  -0.079542  -0.033209
+    1SOL     O4    4  -0.181880   0.004301   0.203614
+    1SOL     H5    5  -0.223876   0.080175   0.163096
+    1SOL     H6    6  -0.111880  -0.019661   0.142884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/286/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021572   0.058199  -0.072869
+    0SOL     H3    3  -0.077919  -0.054481   0.011079
+    1SOL     O4    4  -0.166036  -0.199116  -0.050200
+    1SOL     H5    5  -0.252002  -0.165386  -0.025010
+    1SOL     H6    6  -0.152076  -0.274472   0.007149
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/287/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023919   0.029362   0.087909
+    0SOL     H3    3  -0.069306  -0.061304  -0.024512
+    1SOL     O4    4  -0.124377   0.210765  -0.152687
+    1SOL     H5    5  -0.205207   0.235571  -0.107815
+    1SOL     H6    6  -0.084420   0.145125  -0.095615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/288/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071762  -0.052076   0.036065
+    0SOL     H3    3  -0.038844   0.043250   0.076046
+    1SOL     O4    4   0.245642   0.144438  -0.032599
+    1SOL     H5    5   0.295241   0.084855   0.023545
+    1SOL     H6    6   0.154166   0.119878  -0.018766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/289/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074743   0.002396  -0.059751
+    0SOL     H3    3  -0.058490   0.068699  -0.031965
+    1SOL     O4    4   0.031343  -0.201526   0.352662
+    1SOL     H5    5   0.035137  -0.275762   0.412968
+    1SOL     H6    6  -0.035266  -0.143740   0.389895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/290/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068145  -0.064647   0.018420
+    0SOL     H3    3  -0.081884  -0.049297   0.005209
+    1SOL     O4    4  -0.205730  -0.183395  -0.021558
+    1SOL     H5    5  -0.300002  -0.168089  -0.027948
+    1SOL     H6    6  -0.197350  -0.256111   0.040123
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/291/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005344   0.033197   0.089620
+    0SOL     H3    3   0.050441  -0.081338   0.001489
+    1SOL     O4    4   0.048748   0.105134   0.243877
+    1SOL     H5    5   0.093486   0.038366   0.295867
+    1SOL     H6    6   0.110926   0.177776   0.239479
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/292/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063838   0.023971   0.067174
+    0SOL     H3    3   0.058610  -0.061870   0.043581
+    1SOL     O4    4   0.225329   0.151001  -0.088423
+    1SOL     H5    5   0.144714   0.101376  -0.074248
+    1SOL     H6    6   0.224335   0.218335  -0.020398
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/293/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071805  -0.062745  -0.008335
+    0SOL     H3    3  -0.014170   0.032219  -0.089014
+    1SOL     O4    4   0.167443  -0.193857  -0.086462
+    1SOL     H5    5   0.227675  -0.169425  -0.156730
+    1SOL     H6    6   0.216391  -0.257029  -0.033778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/294/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017996  -0.025724   0.090425
+    0SOL     H3    3   0.083969   0.031952  -0.033025
+    1SOL     O4    4  -0.205426   0.169099  -0.064203
+    1SOL     H5    5  -0.197983   0.211109  -0.149890
+    1SOL     H6    6  -0.128524   0.112388  -0.058519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/295/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068496  -0.066860   0.000565
+    0SOL     H3    3  -0.011607   0.023245   0.092126
+    1SOL     O4    4  -0.184423  -0.188325  -0.020249
+    1SOL     H5    5  -0.271153  -0.156409   0.004683
+    1SOL     H6    6  -0.125989  -0.114301  -0.003870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/296/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071138   0.025890  -0.058579
+    0SOL     H3    3   0.043448  -0.046855   0.071269
+    1SOL     O4    4  -0.182729   0.177377   0.062289
+    1SOL     H5    5  -0.190453   0.210682   0.151695
+    1SOL     H6    6  -0.097276   0.134309   0.060022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/297/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082768  -0.047919  -0.003953
+    0SOL     H3    3  -0.007191   0.042566  -0.085432
+    1SOL     O4    4  -0.070931  -0.264497   0.203827
+    1SOL     H5    5  -0.007430  -0.324879   0.165305
+    1SOL     H6    6  -0.122838  -0.233656   0.129552
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/298/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084456  -0.037568   0.024863
+    0SOL     H3    3  -0.059290  -0.075021  -0.004351
+    1SOL     O4    4   0.237547  -0.170359  -0.018886
+    1SOL     H5    5   0.249551  -0.199467   0.071507
+    1SOL     H6    6   0.275544  -0.082531  -0.021063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/299/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092640   0.021305   0.011239
+    0SOL     H3    3   0.012288  -0.080734   0.049933
+    1SOL     O4    4  -0.196038  -0.065855  -0.275173
+    1SOL     H5    5  -0.125792  -0.000865  -0.277208
+    1SOL     H6    6  -0.254573  -0.035756  -0.205675
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/300/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063890   0.018880   0.068731
+    0SOL     H3    3  -0.047866  -0.053665  -0.063176
+    1SOL     O4    4  -0.057879  -0.140300  -0.233278
+    1SOL     H5    5  -0.083812  -0.097618  -0.314936
+    1SOL     H6    6   0.014000  -0.198343  -0.258312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/301/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087310  -0.039162   0.002383
+    0SOL     H3    3  -0.002664   0.068654   0.066647
+    1SOL     O4    4   0.016707  -0.092688   0.354261
+    1SOL     H5    5   0.099001  -0.043800   0.354186
+    1SOL     H6    6  -0.048706  -0.029613   0.324180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/302/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056122  -0.073212  -0.025547
+    0SOL     H3    3   0.060828   0.067507   0.030084
+    1SOL     O4    4   0.233859  -0.142941  -0.049268
+    1SOL     H5    5   0.249904  -0.219822   0.005451
+    1SOL     H6    6   0.294296  -0.152811  -0.122836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/303/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051801  -0.062945   0.050169
+    0SOL     H3    3  -0.070035   0.026413   0.059664
+    1SOL     O4    4  -0.290360  -0.177374   0.054463
+    1SOL     H5    5  -0.212762  -0.232204   0.042863
+    1SOL     H6    6  -0.285179  -0.113166  -0.016339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/304/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085971   0.042077   0.000907
+    0SOL     H3    3  -0.059446   0.067569  -0.032602
+    1SOL     O4    4  -0.190132   0.161551  -0.094865
+    1SOL     H5    5  -0.189507   0.221035  -0.169856
+    1SOL     H6    6  -0.268186   0.107639  -0.107648
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/305/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.041465   0.079698  -0.033033
+    0SOL     H3    3  -0.072317  -0.061618   0.011653
+    1SOL     O4    4   0.067980   0.311342  -0.036291
+    1SOL     H5    5  -0.001926   0.309520   0.029070
+    1SOL     H6    6   0.028128   0.352619  -0.112909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/306/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047546  -0.034997  -0.075345
+    0SOL     H3    3   0.064423   0.053606   0.046243
+    1SOL     O4    4   0.131888   0.179895   0.156081
+    1SOL     H5    5   0.051035   0.211343   0.196530
+    1SOL     H6    6   0.177256   0.133221   0.226263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/307/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074009  -0.055346  -0.024935
+    0SOL     H3    3  -0.077156  -0.054104  -0.016793
+    1SOL     O4    4  -0.180376  -0.181335  -0.077675
+    1SOL     H5    5  -0.272509  -0.155958  -0.072197
+    1SOL     H6    6  -0.166528  -0.201610  -0.170192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/308/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035487   0.049540   0.073816
+    0SOL     H3    3   0.076865  -0.025109  -0.051221
+    1SOL     O4    4  -0.299518  -0.058221  -0.077696
+    1SOL     H5    5  -0.298189  -0.117669  -0.002686
+    1SOL     H6    6  -0.223699  -0.084026  -0.130116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/309/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061351   0.041047  -0.060939
+    0SOL     H3    3  -0.050397  -0.060854  -0.054031
+    1SOL     O4    4  -0.124017  -0.271198   0.243442
+    1SOL     H5    5  -0.203668  -0.218220   0.246802
+    1SOL     H6    6  -0.054146  -0.211158   0.269434
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/310/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065324   0.069044  -0.011315
+    0SOL     H3    3   0.082576   0.046853   0.012182
+    1SOL     O4    4   0.121739  -0.083815  -0.294711
+    1SOL     H5    5   0.178446  -0.114535  -0.223980
+    1SOL     H6    6   0.062249  -0.021796  -0.252557
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/311/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070562   0.035185   0.054271
+    0SOL     H3    3  -0.015483   0.067572  -0.066005
+    1SOL     O4    4   0.186641   0.004573   0.223637
+    1SOL     H5    5   0.122899  -0.055240   0.262646
+    1SOL     H6    6   0.146295   0.091028   0.231385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/312/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064462   0.062024   0.034059
+    0SOL     H3    3   0.075321   0.009205   0.058347
+    1SOL     O4    4   0.199606   0.020158   0.203473
+    1SOL     H5    5   0.128220   0.006514   0.265765
+    1SOL     H6    6   0.244987  -0.064055   0.200156
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/313/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009353   0.092388  -0.023224
+    0SOL     H3    3   0.030861  -0.047400  -0.077222
+    1SOL     O4    4   0.050243  -0.168638   0.189903
+    1SOL     H5    5  -0.023756  -0.229346   0.190828
+    1SOL     H6    6   0.031997  -0.109673   0.116742
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/314/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070086  -0.061371   0.021997
+    0SOL     H3    3   0.039824   0.022125   0.084183
+    1SOL     O4    4  -0.216866  -0.159427   0.042795
+    1SOL     H5    5  -0.233067  -0.233657  -0.015426
+    1SOL     H6    6  -0.255540  -0.185580   0.126357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/315/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067327   0.067537  -0.008254
+    0SOL     H3    3  -0.081561   0.048722   0.011676
+    1SOL     O4    4  -0.076501  -0.103104  -0.222030
+    1SOL     H5    5  -0.027477  -0.069200  -0.147133
+    1SOL     H6    6  -0.010054  -0.143264  -0.278014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/316/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032487   0.064340   0.062986
+    0SOL     H3    3  -0.075533  -0.039870   0.043215
+    1SOL     O4    4   0.088742   0.217120   0.165624
+    1SOL     H5    5   0.056778   0.172410   0.243993
+    1SOL     H6    6   0.182516   0.228528   0.181068
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/317/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085678  -0.039489   0.016192
+    0SOL     H3    3  -0.004124   0.085049   0.043726
+    1SOL     O4    4   0.237457  -0.146548   0.071149
+    1SOL     H5    5   0.160638  -0.090450   0.081831
+    1SOL     H6    6   0.250633  -0.185881   0.157414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/318/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078608  -0.052860   0.013747
+    0SOL     H3    3   0.013499   0.045063   0.083363
+    1SOL     O4    4  -0.194445  -0.198536  -0.046723
+    1SOL     H5    5  -0.278189  -0.152189  -0.045565
+    1SOL     H6    6  -0.173569  -0.208060  -0.139652
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/319/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081515  -0.048173  -0.014033
+    0SOL     H3    3   0.066296  -0.067993   0.012005
+    1SOL     O4    4   0.216751  -0.167542  -0.029764
+    1SOL     H5    5   0.200723  -0.198271  -0.118989
+    1SOL     H6    6   0.277021  -0.093915  -0.040202
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/320/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045509  -0.039874   0.074171
+    0SOL     H3    3  -0.022091  -0.073649  -0.057010
+    1SOL     O4    4   0.331236  -0.159948  -0.077484
+    1SOL     H5    5   0.402806  -0.190334  -0.133311
+    1SOL     H6    6   0.266483  -0.230353  -0.081029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/321/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015178   0.019060  -0.092567
+    0SOL     H3    3   0.047954  -0.082841  -0.000104
+    1SOL     O4    4  -0.163252  -0.197930  -0.066822
+    1SOL     H5    5  -0.137542  -0.118757  -0.019567
+    1SOL     H6    6  -0.100872  -0.204021  -0.139168
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/322/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089128  -0.018841   0.029385
+    0SOL     H3    3   0.010130   0.071034  -0.063355
+    1SOL     O4    4  -0.022796  -0.111487  -0.379943
+    1SOL     H5    5  -0.048545  -0.155458  -0.460973
+    1SOL     H6    6  -0.099097  -0.058948  -0.355858
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/323/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085512  -0.042897   0.003152
+    0SOL     H3    3  -0.020170   0.093508  -0.003421
+    1SOL     O4    4   0.140199   0.005210   0.226689
+    1SOL     H5    5   0.059613   0.040591   0.264325
+    1SOL     H6    6   0.115239  -0.022938   0.138671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/324/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075065   0.054087   0.024540
+    0SOL     H3    3  -0.038601  -0.077685  -0.040463
+    1SOL     O4    4  -0.247079   0.156705   0.059017
+    1SOL     H5    5  -0.214061   0.246365   0.064788
+    1SOL     H6    6  -0.274837   0.147171  -0.032092
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/325/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042535   0.085714  -0.002491
+    0SOL     H3    3  -0.092544   0.019551   0.014685
+    1SOL     O4    4  -0.204701  -0.256275   0.192255
+    1SOL     H5    5  -0.243415  -0.169934   0.206707
+    1SOL     H6    6  -0.235659  -0.309080   0.265845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/326/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038580   0.020193   0.085242
+    0SOL     H3    3   0.089716   0.032847   0.005875
+    1SOL     O4    4   0.237321   0.117184   0.058861
+    1SOL     H5    5   0.196429   0.194331   0.098085
+    1SOL     H6    6   0.253600   0.058493   0.132703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/327/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002415   0.057530  -0.076464
+    0SOL     H3    3   0.071477  -0.061029  -0.018132
+    1SOL     O4    4   0.294006   0.174563  -0.134680
+    1SOL     H5    5   0.336305   0.195736  -0.217895
+    1SOL     H6    6   0.243951   0.253090  -0.112537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/328/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002022   0.091614   0.027660
+    0SOL     H3    3  -0.028848  -0.047894   0.077693
+    1SOL     O4    4   0.158176  -0.077841   0.264157
+    1SOL     H5    5   0.197199   0.002576   0.229912
+    1SOL     H6    6   0.179887  -0.144635   0.199122
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/329/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065652   0.065525  -0.023634
+    0SOL     H3    3  -0.028143  -0.037035  -0.083658
+    1SOL     O4    4   0.209370   0.156748  -0.082006
+    1SOL     H5    5   0.214234   0.223938  -0.014005
+    1SOL     H6    6   0.264358   0.085528  -0.049350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/330/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055575  -0.060311  -0.049360
+    0SOL     H3    3   0.043906  -0.055277   0.064646
+    1SOL     O4    4   0.197832   0.207161   0.095123
+    1SOL     H5    5   0.149608   0.165526   0.166560
+    1SOL     H6    6   0.132871   0.261913   0.051025
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/331/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089478   0.031292   0.013296
+    0SOL     H3    3   0.010093  -0.081099  -0.049834
+    1SOL     O4    4  -0.013358  -0.218039  -0.168324
+    1SOL     H5    5  -0.063267  -0.193196  -0.246133
+    1SOL     H6    6   0.032878  -0.297842  -0.193937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/332/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083982  -0.045742  -0.004115
+    0SOL     H3    3   0.047422  -0.043236   0.071022
+    1SOL     O4    4  -0.264153  -0.103313  -0.002022
+    1SOL     H5    5  -0.244771  -0.171847  -0.065973
+    1SOL     H6    6  -0.256311  -0.146805   0.082885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/333/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076630   0.039073  -0.041993
+    0SOL     H3    3   0.047580  -0.042299  -0.071479
+    1SOL     O4    4  -0.102040  -0.162674   0.197107
+    1SOL     H5    5  -0.077938  -0.087131   0.143491
+    1SOL     H6    6  -0.196760  -0.154816   0.208445
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/334/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033126  -0.088449   0.015548
+    0SOL     H3    3   0.034124   0.023588  -0.086264
+    1SOL     O4    4  -0.067768   0.027478   0.360293
+    1SOL     H5    5  -0.097922  -0.059878   0.385232
+    1SOL     H6    6  -0.096004   0.084040   0.432167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/335/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039233  -0.080867  -0.032917
+    0SOL     H3    3   0.007903  -0.006499   0.095171
+    1SOL     O4    4  -0.319819   0.139060   0.147086
+    1SOL     H5    5  -0.273507   0.202967   0.201247
+    1SOL     H6    6  -0.291581   0.054053   0.180831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/336/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052817   0.066025   0.044871
+    0SOL     H3    3  -0.040997   0.047243  -0.072454
+    1SOL     O4    4  -0.134481   0.129696  -0.210692
+    1SOL     H5    5  -0.146467   0.090109  -0.297015
+    1SOL     H6    6  -0.212396   0.183853  -0.198099
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/337/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063615  -0.050156   0.050989
+    0SOL     H3    3   0.051314   0.047310   0.065505
+    1SOL     O4    4   0.181337  -0.147475  -0.156451
+    1SOL     H5    5   0.212830  -0.083049  -0.219853
+    1SOL     H6    6   0.114715  -0.100860  -0.105945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/338/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048972   0.011464   0.081441
+    0SOL     H3    3  -0.057286   0.076551  -0.004535
+    1SOL     O4    4   0.176421  -0.078584  -0.217374
+    1SOL     H5    5   0.204101  -0.101792  -0.128731
+    1SOL     H6    6   0.114762  -0.006399  -0.205136
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/339/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065635  -0.069594  -0.003316
+    0SOL     H3    3   0.014029   0.042200   0.084762
+    1SOL     O4    4   0.167682   0.083384   0.202693
+    1SOL     H5    5   0.207649   0.166485   0.177017
+    1SOL     H6    6   0.225366   0.049087   0.270947
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/340/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056297   0.068081  -0.036850
+    0SOL     H3    3  -0.037495  -0.044023  -0.076279
+    1SOL     O4    4   0.140649  -0.180159  -0.229434
+    1SOL     H5    5   0.200761  -0.242775  -0.269783
+    1SOL     H6    6   0.059504  -0.189174  -0.279400
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017722   0.078294  -0.052137
+    0SOL     H3    3  -0.078301  -0.054049  -0.010489
+    1SOL     O4    4  -0.181876  -0.069956   0.251717
+    1SOL     H5    5  -0.203963   0.013382   0.210133
+    1SOL     H6    6  -0.240982  -0.133408   0.211189
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043548  -0.066037   0.053898
+    0SOL     H3    3  -0.062225   0.042139   0.059285
+    1SOL     O4    4  -0.079877  -0.151100  -0.194401
+    1SOL     H5    5  -0.055172  -0.081868  -0.133090
+    1SOL     H6    6  -0.093426  -0.105761  -0.277606
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010150   0.093116  -0.019714
+    0SOL     H3    3  -0.054160  -0.014135   0.077648
+    1SOL     O4    4   0.239466  -0.097538   0.076735
+    1SOL     H5    5   0.151547  -0.066572   0.054970
+    1SOL     H6    6   0.292860  -0.073300   0.001078
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058081  -0.022131  -0.072795
+    0SOL     H3    3   0.027524   0.089943  -0.017748
+    1SOL     O4    4  -0.158832  -0.089409  -0.198443
+    1SOL     H5    5  -0.143713  -0.030431  -0.272303
+    1SOL     H6    6  -0.129468  -0.174994  -0.229672
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076632  -0.046805  -0.033153
+    0SOL     H3    3   0.024801   0.027071   0.088399
+    1SOL     O4    4  -0.027772  -0.010890  -0.327024
+    1SOL     H5    5  -0.030828  -0.097126  -0.285596
+    1SOL     H6    6  -0.112424  -0.002319  -0.370876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/346/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007305  -0.095021   0.008946
+    0SOL     H3    3  -0.063590   0.022676  -0.067856
+    1SOL     O4    4   0.200187  -0.238685   0.154685
+    1SOL     H5    5   0.267307  -0.171948   0.168945
+    1SOL     H6    6   0.240488  -0.320089   0.184877
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062236  -0.044746   0.057331
+    0SOL     H3    3  -0.013492   0.093056   0.017914
+    1SOL     O4    4   0.265868  -0.045769   0.010540
+    1SOL     H5    5   0.178353  -0.020827  -0.019148
+    1SOL     H6    6   0.305170  -0.089719  -0.064866
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018006  -0.052836   0.077759
+    0SOL     H3    3  -0.008425  -0.063747  -0.070906
+    1SOL     O4    4  -0.088013  -0.223006  -0.210294
+    1SOL     H5    5  -0.153913  -0.158841  -0.236800
+    1SOL     H6    6  -0.020636  -0.217606  -0.278069
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040435   0.027306  -0.082351
+    0SOL     H3    3  -0.019727  -0.093433   0.006600
+    1SOL     O4    4  -0.016227  -0.244456  -0.175193
+    1SOL     H5    5   0.058969  -0.272484  -0.123018
+    1SOL     H6    6  -0.080104  -0.315022  -0.165067
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028443   0.004119   0.091304
+    0SOL     H3    3  -0.029871   0.082533  -0.038188
+    1SOL     O4    4  -0.240231  -0.154593   0.047932
+    1SOL     H5    5  -0.152536  -0.116827   0.054689
+    1SOL     H6    6  -0.255658  -0.162757  -0.046184
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086572  -0.018363   0.036476
+    0SOL     H3    3   0.060669  -0.018544   0.071678
+    1SOL     O4    4   0.247271  -0.211385  -0.055580
+    1SOL     H5    5   0.277687  -0.120748  -0.060295
+    1SOL     H6    6   0.198339  -0.216037   0.026556
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+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/352/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062416  -0.037397   0.062193
+    0SOL     H3    3   0.049888   0.063543   0.051340
+    1SOL     O4    4   0.245319  -0.151013  -0.068487
+    1SOL     H5    5   0.288356  -0.077414  -0.024976
+    1SOL     H6    6   0.155168  -0.121687  -0.081719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/353/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041194  -0.076534  -0.040098
+    0SOL     H3    3  -0.026425   0.054590  -0.074054
+    1SOL     O4    4   0.117269  -0.221329  -0.052343
+    1SOL     H5    5   0.100287  -0.286899  -0.119977
+    1SOL     H6    6   0.118055  -0.270935   0.029516
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/354/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086512  -0.021279  -0.035002
+    0SOL     H3    3   0.014527   0.012827   0.093738
+    1SOL     O4    4  -0.002418  -0.225252  -0.229367
+    1SOL     H5    5  -0.015496  -0.303900  -0.282336
+    1SOL     H6    6   0.057682  -0.252687  -0.160102
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018716  -0.064720  -0.067996
+    0SOL     H3    3  -0.031254   0.082813  -0.036436
+    1SOL     O4    4   0.207219  -0.066486   0.211186
+    1SOL     H5    5   0.149210  -0.045257   0.138066
+    1SOL     H6    6   0.294852  -0.044771   0.179385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/356/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066240   0.041083  -0.055558
+    0SOL     H3    3  -0.050242  -0.045768   0.067405
+    1SOL     O4    4   0.073994  -0.191157  -0.221926
+    1SOL     H5    5   0.042475  -0.102875  -0.241295
+    1SOL     H6    6   0.155276  -0.199111  -0.271848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/357/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024264  -0.012330   0.091769
+    0SOL     H3    3  -0.009325   0.094756  -0.009835
+    1SOL     O4    4   0.040566  -0.057327   0.261145
+    1SOL     H5    5   0.021648  -0.151156   0.261902
+    1SOL     H6    6   0.136134  -0.052101   0.262473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/358/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054682   0.071741  -0.032021
+    0SOL     H3    3   0.059254  -0.053705   0.052603
+    1SOL     O4    4  -0.243750   0.056002   0.084887
+    1SOL     H5    5  -0.151337   0.037263   0.068429
+    1SOL     H6    6  -0.268620   0.116965   0.015408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/359/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077951   0.017258   0.052803
+    0SOL     H3    3   0.027815  -0.087750   0.026239
+    1SOL     O4    4   0.078326  -0.222558   0.151149
+    1SOL     H5    5   0.144526  -0.280382   0.113251
+    1SOL     H6    6   0.062815  -0.257977   0.238712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/360/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017344   0.037450  -0.086365
+    0SOL     H3    3   0.080293  -0.050811  -0.011559
+    1SOL     O4    4  -0.118284   0.149516  -0.191192
+    1SOL     H5    5  -0.169738   0.213529  -0.142027
+    1SOL     H6    6  -0.052149   0.201697  -0.236642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/361/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089437   0.031884   0.012117
+    0SOL     H3    3  -0.003204  -0.028336  -0.091374
+    1SOL     O4    4   0.249347   0.106382  -0.060790
+    1SOL     H5    5   0.237287   0.190969  -0.017639
+    1SOL     H6    6   0.223965   0.122009  -0.151751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/362/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025604  -0.059876  -0.070154
+    0SOL     H3    3   0.029085  -0.057246   0.070988
+    1SOL     O4    4  -0.113734  -0.198329  -0.172531
+    1SOL     H5    5  -0.170492  -0.172387  -0.245110
+    1SOL     H6    6  -0.116659  -0.294004  -0.172789
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/363/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030515   0.075313  -0.050588
+    0SOL     H3    3   0.078967  -0.051614   0.016201
+    1SOL     O4    4   0.236300   0.169218  -0.088805
+    1SOL     H5    5   0.243520   0.225745  -0.011896
+    1SOL     H6    6   0.149760   0.188623  -0.124812
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/364/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011893   0.044814  -0.083741
+    0SOL     H3    3   0.064378   0.053208   0.046763
+    1SOL     O4    4  -0.016914   0.276466   0.300330
+    1SOL     H5    5   0.050808   0.316593   0.354789
+    1SOL     H6    6   0.003837   0.183026   0.301194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/365/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011624   0.082613  -0.046928
+    0SOL     H3    3  -0.040621  -0.058446  -0.064002
+    1SOL     O4    4  -0.175649  -0.093484  -0.156818
+    1SOL     H5    5  -0.243326  -0.119774  -0.094441
+    1SOL     H6    6  -0.207437  -0.010908  -0.193330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/366/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078253  -0.051663   0.019228
+    0SOL     H3    3   0.072735  -0.060833   0.013091
+    1SOL     O4    4   0.017220   0.259061  -0.110755
+    1SOL     H5    5   0.009747   0.166864  -0.086135
+    1SOL     H6    6  -0.055312   0.273637  -0.171491
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/367/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063616   0.070319   0.013058
+    0SOL     H3    3  -0.045002  -0.062910  -0.056387
+    1SOL     O4    4  -0.021028   0.065912  -0.347092
+    1SOL     H5    5   0.032044  -0.007521  -0.316217
+    1SOL     H6    6  -0.110797   0.042022  -0.324004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/368/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031125  -0.044746   0.078685
+    0SOL     H3    3  -0.007858   0.093133   0.020659
+    1SOL     O4    4  -0.068405  -0.159792  -0.209438
+    1SOL     H5    5  -0.007360  -0.220798  -0.250841
+    1SOL     H6    6  -0.013258  -0.104563  -0.154023
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/369/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024942   0.029974   0.087417
+    0SOL     H3    3  -0.026613   0.071131  -0.058262
+    1SOL     O4    4  -0.130806  -0.261367  -0.022395
+    1SOL     H5    5  -0.102034  -0.171787  -0.004790
+    1SOL     H6    6  -0.201274  -0.251785  -0.086465
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/370/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005644   0.086202   0.041227
+    0SOL     H3    3  -0.087528  -0.037333   0.010359
+    1SOL     O4    4  -0.205012  -0.172045  -0.008499
+    1SOL     H5    5  -0.157957  -0.239631   0.040289
+    1SOL     H6    6  -0.278793  -0.148744   0.047854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/371/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056482   0.068615  -0.035554
+    0SOL     H3    3  -0.056453  -0.077106   0.005488
+    1SOL     O4    4   0.105085   0.189527   0.165521
+    1SOL     H5    5   0.019426   0.228318   0.183412
+    1SOL     H6    6   0.087473   0.121293   0.100743
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082790   0.044134   0.018982
+    0SOL     H3    3   0.060206   0.070776  -0.022985
+    1SOL     O4    4   0.141185  -0.260328   0.163466
+    1SOL     H5    5   0.203203  -0.333139   0.159647
+    1SOL     H6    6   0.060429  -0.295603   0.126097
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007479   0.071875  -0.062772
+    0SOL     H3    3   0.090304  -0.027477   0.015893
+    1SOL     O4    4  -0.086761  -0.136976  -0.271820
+    1SOL     H5    5  -0.115532  -0.113594  -0.360069
+    1SOL     H6    6  -0.132969  -0.075795  -0.214514
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029324   0.087191   0.026461
+    0SOL     H3    3  -0.027188   0.010469  -0.091178
+    1SOL     O4    4  -0.281502  -0.036539  -0.001703
+    1SOL     H5    5  -0.336423  -0.076077   0.065993
+    1SOL     H6    6  -0.192513  -0.063835   0.020617
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089476  -0.033857   0.003188
+    0SOL     H3    3   0.048348  -0.054040   0.062486
+    1SOL     O4    4   0.230279   0.129485  -0.061182
+    1SOL     H5    5   0.151618   0.076496  -0.074106
+    1SOL     H6    6   0.212297   0.210969  -0.108079
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007361   0.061786  -0.072736
+    0SOL     H3    3   0.088320  -0.036033  -0.007964
+    1SOL     O4    4  -0.023005  -0.213654   0.244736
+    1SOL     H5    5   0.061188  -0.168129   0.245907
+    1SOL     H6    6  -0.051016  -0.214665   0.336260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/377/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066926  -0.006012  -0.068169
+    0SOL     H3    3   0.045065  -0.026271   0.080258
+    1SOL     O4    4   0.084297   0.333888  -0.065723
+    1SOL     H5    5   0.148327   0.401210  -0.088747
+    1SOL     H6    6   0.124095   0.286999   0.007624
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/378/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058191   0.074083   0.016966
+    0SOL     H3    3   0.022269  -0.063985   0.067618
+    1SOL     O4    4   0.107249   0.241893   0.048642
+    1SOL     H5    5   0.086817   0.309861  -0.015585
+    1SOL     H6    6   0.039428   0.250960   0.115579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/379/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070380  -0.022340   0.060910
+    0SOL     H3    3  -0.045086   0.033228  -0.077624
+    1SOL     O4    4   0.251776  -0.017222  -0.114973
+    1SOL     H5    5   0.318404   0.050913  -0.105993
+    1SOL     H6    6   0.174724   0.018604  -0.070908
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/380/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030487  -0.066464  -0.061769
+    0SOL     H3    3  -0.046783  -0.019453   0.081211
+    1SOL     O4    4   0.177279   0.153632  -0.206686
+    1SOL     H5    5   0.120013   0.138146  -0.131565
+    1SOL     H6    6   0.132456   0.111625  -0.280093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/381/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058129  -0.070257  -0.029109
+    0SOL     H3    3   0.039426   0.079854  -0.035088
+    1SOL     O4    4   0.162255  -0.215800  -0.062556
+    1SOL     H5    5   0.135513  -0.214848  -0.154459
+    1SOL     H6    6   0.102259  -0.277560  -0.020742
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/382/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028494  -0.069330  -0.059530
+    0SOL     H3    3   0.026648   0.071648  -0.057609
+    1SOL     O4    4  -0.125970  -0.208815  -0.125639
+    1SOL     H5    5  -0.141988  -0.303160  -0.123425
+    1SOL     H6    6  -0.060398  -0.197214  -0.194400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/383/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068447  -0.044179  -0.050255
+    0SOL     H3    3  -0.059646   0.034917  -0.066223
+    1SOL     O4    4  -0.138338  -0.228851   0.193686
+    1SOL     H5    5  -0.131068  -0.254923   0.285500
+    1SOL     H6    6  -0.049259  -0.236382   0.159474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/384/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023228   0.042007  -0.082814
+    0SOL     H3    3  -0.082275  -0.036929   0.032083
+    1SOL     O4    4  -0.243549  -0.165129   0.044029
+    1SOL     H5    5  -0.286516  -0.092522  -0.001187
+    1SOL     H6    6  -0.240690  -0.235466  -0.020831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/385/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022121   0.077960   0.050943
+    0SOL     H3    3   0.040739  -0.059215   0.063216
+    1SOL     O4    4   0.118764  -0.170922   0.167269
+    1SOL     H5    5   0.174729  -0.120133   0.226011
+    1SOL     H6    6   0.178818  -0.230458   0.122422
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/386/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006825  -0.054168  -0.078623
+    0SOL     H3    3  -0.085932  -0.021268   0.036410
+    1SOL     O4    4   0.085705  -0.142857  -0.198114
+    1SOL     H5    5   0.180279  -0.133348  -0.209413
+    1SOL     H6    6   0.050828  -0.143485  -0.287251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/387/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034656  -0.010520  -0.088604
+    0SOL     H3    3   0.085389   0.041443  -0.012392
+    1SOL     O4    4  -0.090937   0.266434   0.040855
+    1SOL     H5    5  -0.184295   0.269559   0.019955
+    1SOL     H6    6  -0.064331   0.177225   0.018582
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/388/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035838  -0.002446   0.088724
+    0SOL     H3    3   0.046914  -0.082923  -0.009228
+    1SOL     O4    4  -0.243501  -0.152331  -0.103851
+    1SOL     H5    5  -0.322299  -0.147780  -0.158004
+    1SOL     H6    6  -0.204361  -0.065278  -0.111067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/389/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003198   0.092136   0.025750
+    0SOL     H3    3  -0.073306  -0.010528  -0.060644
+    1SOL     O4    4  -0.133208   0.167965  -0.217589
+    1SOL     H5    5  -0.059155   0.213965  -0.178061
+    1SOL     H6    6  -0.093239   0.097528  -0.268613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/390/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000041  -0.040254  -0.086844
+    0SOL     H3    3  -0.002785   0.094125  -0.017176
+    1SOL     O4    4   0.201718  -0.180064   0.089876
+    1SOL     H5    5   0.144721  -0.243436   0.133438
+    1SOL     H6    6   0.142216  -0.112177   0.058048
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/391/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025187  -0.060258  -0.069978
+    0SOL     H3    3   0.023790  -0.056865   0.073230
+    1SOL     O4    4  -0.240760   0.127614   0.101118
+    1SOL     H5    5  -0.168038   0.065376   0.101683
+    1SOL     H6    6  -0.298658   0.097507   0.171144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/392/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095415  -0.001783   0.007424
+    0SOL     H3    3   0.022611  -0.084398  -0.039090
+    1SOL     O4    4   0.088836  -0.223082  -0.135106
+    1SOL     H5    5   0.027884  -0.235591  -0.207843
+    1SOL     H6    6   0.110957  -0.311806  -0.106802
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/393/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063478  -0.070542   0.012519
+    0SOL     H3    3   0.041694   0.058928  -0.062860
+    1SOL     O4    4   0.033237   0.203931  -0.167796
+    1SOL     H5    5  -0.025203   0.278013  -0.151701
+    1SOL     H6    6   0.086524   0.231187  -0.242495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/394/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047776  -0.080338   0.020629
+    0SOL     H3    3   0.036535  -0.015500  -0.087105
+    1SOL     O4    4   0.190687   0.080705   0.149186
+    1SOL     H5    5   0.175564   0.154379   0.208397
+    1SOL     H6    6   0.106848   0.068007   0.104778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/395/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021662   0.030045   0.088263
+    0SOL     H3    3  -0.068602   0.037102  -0.055493
+    1SOL     O4    4  -0.019107   0.295688   0.225820
+    1SOL     H5    5  -0.079090   0.222106   0.238063
+    1SOL     H6    6  -0.063335   0.369839   0.267148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/396/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080336  -0.028688  -0.043421
+    0SOL     H3    3   0.000807  -0.047747   0.082957
+    1SOL     O4    4  -0.011157  -0.123195   0.225288
+    1SOL     H5    5   0.063591  -0.175684   0.253926
+    1SOL     H6    6  -0.038129  -0.075139   0.303554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/397/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058256  -0.047988   0.058870
+    0SOL     H3    3   0.050229   0.009578  -0.080918
+    1SOL     O4    4  -0.179618   0.196659   0.079946
+    1SOL     H5    5  -0.151133   0.251189   0.153276
+    1SOL     H6    6  -0.106208   0.137267   0.064269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/398/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065433   0.059506   0.036606
+    0SOL     H3    3   0.073637   0.004867   0.060961
+    1SOL     O4    4   0.224848   0.005087   0.137668
+    1SOL     H5    5   0.278885  -0.061228   0.180618
+    1SOL     H6    6   0.230970   0.081683   0.194746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/399/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080486   0.033395  -0.039611
+    0SOL     H3    3  -0.013366   0.010705   0.094176
+    1SOL     O4    4   0.163458   0.179959  -0.140114
+    1SOL     H5    5   0.221692   0.130578  -0.197842
+    1SOL     H6    6   0.127631   0.114344  -0.080335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/400/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052780  -0.075102  -0.027135
+    0SOL     H3    3  -0.026871   0.041345  -0.082042
+    1SOL     O4    4  -0.301569   0.033986   0.137666
+    1SOL     H5    5  -0.386609   0.030537   0.181468
+    1SOL     H6    6  -0.321123   0.066616   0.049829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/401/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067934  -0.067342   0.003517
+    0SOL     H3    3   0.082034  -0.048065   0.011068
+    1SOL     O4    4  -0.222884  -0.205213  -0.026913
+    1SOL     H5    5  -0.231573  -0.152739  -0.106495
+    1SOL     H6    6  -0.256484  -0.148857   0.042781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/402/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008217  -0.068233   0.066626
+    0SOL     H3    3   0.069901  -0.019010  -0.062568
+    1SOL     O4    4   0.265142  -0.051970  -0.139550
+    1SOL     H5    5   0.252912   0.008805  -0.212483
+    1SOL     H6    6   0.341018  -0.104642  -0.164668
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/403/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065702  -0.061451  -0.032702
+    0SOL     H3    3  -0.003370  -0.009661   0.095171
+    1SOL     O4    4   0.029671   0.259496  -0.104461
+    1SOL     H5    5   0.060923   0.193185  -0.042909
+    1SOL     H6    6  -0.031763   0.212694  -0.161009
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/404/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048987   0.080738   0.015619
+    0SOL     H3    3  -0.089858   0.021177   0.025285
+    1SOL     O4    4   0.185398   0.188836   0.074497
+    1SOL     H5    5   0.201668   0.152750   0.161648
+    1SOL     H6    6   0.210586   0.280912   0.081562
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/405/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045573  -0.072375  -0.042979
+    0SOL     H3    3  -0.077555   0.015007  -0.054059
+    1SOL     O4    4  -0.016121   0.269946   0.058082
+    1SOL     H5    5   0.007434   0.177171   0.057579
+    1SOL     H6    6  -0.043030   0.287385   0.148271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/406/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057804   0.061564  -0.045066
+    0SOL     H3    3   0.035464  -0.055096  -0.069779
+    1SOL     O4    4   0.127178  -0.279976  -0.037119
+    1SOL     H5    5   0.072696  -0.278486  -0.115807
+    1SOL     H6    6   0.172899  -0.363973  -0.041171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/407/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048525  -0.049633  -0.065911
+    0SOL     H3    3   0.064754   0.019717   0.067679
+    1SOL     O4    4  -0.236468   0.105350   0.152026
+    1SOL     H5    5  -0.176500   0.078541   0.082403
+    1SOL     H6    6  -0.181267   0.112209   0.229925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/408/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071312   0.026885  -0.057915
+    0SOL     H3    3   0.078420   0.004774  -0.054680
+    1SOL     O4    4  -0.225258   0.116983  -0.105800
+    1SOL     H5    5  -0.252908   0.108989  -0.197090
+    1SOL     H6    6  -0.307023   0.119606  -0.056101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/409/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029354  -0.081840  -0.040037
+    0SOL     H3    3  -0.083924  -0.021853   0.040515
+    1SOL     O4    4  -0.008466   0.117395  -0.308437
+    1SOL     H5    5  -0.043897   0.045046  -0.256740
+    1SOL     H6    6  -0.085662   0.163087  -0.341833
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/410/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010723   0.069329   0.065122
+    0SOL     H3    3   0.087571  -0.037350  -0.009931
+    1SOL     O4    4  -0.218221  -0.158319   0.083724
+    1SOL     H5    5  -0.244355  -0.132326  -0.004614
+    1SOL     H6    6  -0.136389  -0.111196   0.099385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/411/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018953   0.002443  -0.093793
+    0SOL     H3    3  -0.017813   0.091125   0.023266
+    1SOL     O4    4   0.052138   0.004607  -0.266381
+    1SOL     H5    5   0.017722   0.052168  -0.341984
+    1SOL     H6    6   0.120555  -0.051712  -0.302571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/412/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028080  -0.079975   0.044473
+    0SOL     H3    3   0.013592  -0.018211  -0.092983
+    1SOL     O4    4  -0.134245   0.273454   0.019936
+    1SOL     H5    5  -0.122917   0.368193   0.012275
+    1SOL     H6    6  -0.057448   0.236501  -0.023641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/413/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013003   0.035950   0.087754
+    0SOL     H3    3   0.027344   0.074982  -0.052843
+    1SOL     O4    4   0.370644   0.004424   0.007539
+    1SOL     H5    5   0.326429  -0.008142  -0.076422
+    1SOL     H6    6   0.404768   0.093767   0.003557
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/414/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090025   0.006010  -0.031965
+    0SOL     H3    3   0.047146   0.067991  -0.048133
+    1SOL     O4    4  -0.015509  -0.064229   0.272950
+    1SOL     H5    5   0.007226  -0.045782   0.181818
+    1SOL     H6    6   0.026753   0.005673   0.322850
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/415/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013375  -0.046501  -0.082590
+    0SOL     H3    3  -0.033902   0.085681  -0.025918
+    1SOL     O4    4  -0.029185   0.085375   0.274722
+    1SOL     H5    5   0.000632   0.047912   0.191837
+    1SOL     H6    6  -0.094288   0.150830   0.249432
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/416/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081505  -0.004545   0.049985
+    0SOL     H3    3   0.025401  -0.022737  -0.089443
+    1SOL     O4    4  -0.126034   0.229688  -0.030896
+    1SOL     H5    5  -0.083568   0.143922  -0.032659
+    1SOL     H6    6  -0.054132   0.291839  -0.019505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/417/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091649  -0.015140  -0.023098
+    0SOL     H3    3  -0.003729   0.055947   0.077578
+    1SOL     O4    4  -0.329867  -0.156655   0.099163
+    1SOL     H5    5  -0.326895  -0.159110   0.194806
+    1SOL     H6    6  -0.376565  -0.236502   0.074546
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/418/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021133  -0.012663  -0.092495
+    0SOL     H3    3   0.045882  -0.080100   0.025319
+    1SOL     O4    4  -0.011580  -0.078787  -0.274545
+    1SOL     H5    5   0.080459  -0.101822  -0.287214
+    1SOL     H6    6  -0.030318  -0.015703  -0.344055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/419/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039117   0.087317  -0.002807
+    0SOL     H3    3  -0.019278  -0.032113   0.088087
+    1SOL     O4    4  -0.058875   0.254475  -0.108709
+    1SOL     H5    5   0.004884   0.317241  -0.074686
+    1SOL     H6    6  -0.031355   0.238891  -0.199053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/000/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023336   0.061909  -0.069174
+    0SOL     H3    3   0.095495  -0.005354  -0.003799
+    1SOL     O4    4   0.265451  -0.015561   0.000046
+    1SOL     H5    5   0.283407  -0.108363  -0.015044
+    1SOL     H6    6   0.322664   0.030270  -0.061505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/001/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021536   0.083651   0.041243
+    0SOL     H3    3   0.059784  -0.006119  -0.074504
+    1SOL     O4    4  -0.266676  -0.005094  -0.016355
+    1SOL     H5    5  -0.289737   0.069853   0.038540
+    1SOL     H6    6  -0.170972  -0.006719  -0.015781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/002/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042130   0.011851  -0.085129
+    0SOL     H3    3  -0.093105  -0.008950  -0.020338
+    1SOL     O4    4   0.336068  -0.010691  -0.013283
+    1SOL     H5    5   0.309400  -0.096941   0.018531
+    1SOL     H6    6   0.298164  -0.004683  -0.100973
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/003/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094175   0.012646   0.011556
+    0SOL     H3    3  -0.033756  -0.011453   0.088835
+    1SOL     O4    4  -0.040314   0.309793   0.138993
+    1SOL     H5    5  -0.004904   0.235926   0.188512
+    1SOL     H6    6   0.014657   0.314821   0.060794
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/004/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025873   0.086330  -0.032251
+    0SOL     H3    3   0.095383  -0.000999  -0.007967
+    1SOL     O4    4  -0.169368  -0.183199  -0.150387
+    1SOL     H5    5  -0.104670  -0.146776  -0.089973
+    1SOL     H6    6  -0.251652  -0.140942  -0.125769
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/005/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093116   0.021916   0.003383
+    0SOL     H3    3   0.022969   0.007077  -0.092653
+    1SOL     O4    4   0.170457  -0.187371   0.137014
+    1SOL     H5    5   0.096658  -0.161169   0.081973
+    1SOL     H6    6   0.159392  -0.136920   0.217603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/006/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003139  -0.040916   0.086477
+    0SOL     H3    3  -0.080937  -0.028000  -0.042749
+    1SOL     O4    4   0.172518  -0.190374  -0.163222
+    1SOL     H5    5   0.120721  -0.112193  -0.144060
+    1SOL     H6    6   0.135274  -0.258232  -0.106914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/007/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010790  -0.094875  -0.006686
+    0SOL     H3    3   0.063749   0.035816  -0.061771
+    1SOL     O4    4  -0.140996  -0.152700   0.274672
+    1SOL     H5    5  -0.151553  -0.241533   0.240620
+    1SOL     H6    6  -0.047937  -0.146112   0.296095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/008/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074701  -0.051109  -0.031144
+    0SOL     H3    3   0.017357  -0.033930   0.087806
+    1SOL     O4    4   0.011855   0.286199  -0.012649
+    1SOL     H5    5   0.082086   0.309009  -0.073555
+    1SOL     H6    6   0.006058   0.190771  -0.017357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/009/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011688   0.081508   0.048807
+    0SOL     H3    3   0.094831  -0.008900  -0.009494
+    1SOL     O4    4  -0.155348   0.168687   0.132567
+    1SOL     H5    5  -0.232294   0.128103   0.092634
+    1SOL     H6    6  -0.153848   0.134491   0.221957
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/010/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070348   0.046147  -0.045650
+    0SOL     H3    3   0.020654   0.055846   0.074946
+    1SOL     O4    4  -0.181298   0.149683  -0.142352
+    1SOL     H5    5  -0.140938   0.230349  -0.110315
+    1SOL     H6    6  -0.147254   0.139470  -0.231229
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/011/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031280   0.073110   0.053280
+    0SOL     H3    3  -0.035155  -0.077889   0.043125
+    1SOL     O4    4  -0.150432  -0.180385   0.142028
+    1SOL     H5    5  -0.152481  -0.151841   0.233370
+    1SOL     H6    6  -0.222149  -0.132621   0.100344
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/012/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089522  -0.030569   0.014619
+    0SOL     H3    3   0.035337   0.013698   0.087898
+    1SOL     O4    4  -0.287752   0.014774   0.004666
+    1SOL     H5    5  -0.334389   0.080909  -0.046456
+    1SOL     H6    6  -0.313963  -0.068608  -0.034357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/013/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093148   0.019211  -0.010808
+    0SOL     H3    3   0.036981   0.010412  -0.087672
+    1SOL     O4    4   0.184535  -0.168667   0.147290
+    1SOL     H5    5   0.100731  -0.143478   0.108500
+    1SOL     H6    6   0.172885  -0.260370   0.172132
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/014/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005150  -0.095146  -0.009108
+    0SOL     H3    3   0.022899   0.033675  -0.086625
+    1SOL     O4    4  -0.139545  -0.165955   0.311607
+    1SOL     H5    5  -0.190311  -0.234249   0.355435
+    1SOL     H6    6  -0.165002  -0.172464   0.219564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/015/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018075  -0.093801   0.006078
+    0SOL     H3    3  -0.001923   0.030733   0.090632
+    1SOL     O4    4  -0.133050  -0.152693   0.293992
+    1SOL     H5    5  -0.165299  -0.077763   0.243913
+    1SOL     H6    6  -0.185682  -0.152569   0.373942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/016/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074031   0.044725   0.041005
+    0SOL     H3    3   0.012271  -0.092241   0.022434
+    1SOL     O4    4  -0.167320   0.178964   0.133178
+    1SOL     H5    5  -0.117509   0.103888   0.100854
+    1SOL     H6    6  -0.127045   0.254627   0.090570
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/017/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093800  -0.002382   0.018924
+    0SOL     H3    3   0.041958  -0.015405   0.084644
+    1SOL     O4    4  -0.136682   0.137541   0.268654
+    1SOL     H5    5  -0.054506   0.173933   0.235716
+    1SOL     H6    6  -0.120312   0.043465   0.275296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/018/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077099   0.012211  -0.055398
+    0SOL     H3    3  -0.003289  -0.094298   0.016103
+    1SOL     O4    4   0.135985  -0.153152   0.268544
+    1SOL     H5    5   0.157803  -0.228528   0.213728
+    1SOL     H6    6   0.042136  -0.140024   0.255044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/019/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033515  -0.070205  -0.055770
+    0SOL     H3    3   0.095040  -0.011257  -0.001755
+    1SOL     O4    4   0.114916  -0.154400   0.306883
+    1SOL     H5    5   0.044487  -0.171686   0.244406
+    1SOL     H6    6   0.085969  -0.196371   0.387894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/020/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018306  -0.075207   0.056312
+    0SOL     H3    3  -0.090194  -0.013260  -0.029182
+    1SOL     O4    4  -0.154659   0.108493   0.249776
+    1SOL     H5    5  -0.075643   0.138218   0.294888
+    1SOL     H6    6  -0.226649   0.148300   0.298717
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/021/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064834   0.036830  -0.060020
+    0SOL     H3    3   0.016189   0.044604   0.083131
+    1SOL     O4    4   0.143054   0.170290  -0.170382
+    1SOL     H5    5   0.237296   0.187045  -0.170815
+    1SOL     H6    6   0.118194   0.170632  -0.262817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/022/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019679   0.083833  -0.041798
+    0SOL     H3    3   0.036756   0.007861   0.088032
+    1SOL     O4    4  -0.256842   0.019808   0.003572
+    1SOL     H5    5  -0.311290  -0.034021  -0.053876
+    1SOL     H6    6  -0.167076  -0.006093  -0.017250
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/023/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035753  -0.055039   0.069676
+    0SOL     H3    3   0.094732  -0.012408   0.005839
+    1SOL     O4    4   0.285662  -0.008092   0.035851
+    1SOL     H5    5   0.330330  -0.084436   0.072437
+    1SOL     H6    6   0.311387   0.064369   0.092860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/024/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043540  -0.056386  -0.063931
+    0SOL     H3    3  -0.056187  -0.003640   0.077408
+    1SOL     O4    4   0.285657   0.004534   0.014386
+    1SOL     H5    5   0.329079  -0.057695  -0.043960
+    1SOL     H6    6   0.192417  -0.015135   0.005345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/025/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083557  -0.027702  -0.037591
+    0SOL     H3    3   0.013901   0.091450   0.024616
+    1SOL     O4    4  -0.169847  -0.164432  -0.113183
+    1SOL     H5    5  -0.137676  -0.252252  -0.092813
+    1SOL     H6    6  -0.116033  -0.106138  -0.059628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/026/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001737  -0.048837   0.082306
+    0SOL     H3    3  -0.067279  -0.041518  -0.053965
+    1SOL     O4    4   0.167129  -0.145081  -0.122015
+    1SOL     H5    5   0.128969  -0.072504  -0.072631
+    1SOL     H6    6   0.128226  -0.223514  -0.083323
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/027/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033106   0.073470  -0.051658
+    0SOL     H3    3  -0.042615  -0.076975  -0.037697
+    1SOL     O4    4   0.292107   0.025163  -0.017608
+    1SOL     H5    5   0.331379   0.107106  -0.047698
+    1SOL     H6    6   0.205126   0.050240   0.013501
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/028/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034814  -0.076013   0.046608
+    0SOL     H3    3  -0.091726   0.004735   0.026949
+    1SOL     O4    4   0.156540   0.185721   0.110383
+    1SOL     H5    5   0.100641   0.129032   0.057241
+    1SOL     H6    6   0.157174   0.144594   0.196815
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/029/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066382  -0.052838  -0.044316
+    0SOL     H3    3  -0.007218  -0.024768   0.092178
+    1SOL     O4    4   0.173732  -0.158705  -0.154052
+    1SOL     H5    5   0.139917  -0.085880  -0.101942
+    1SOL     H6    6   0.268142  -0.143469  -0.158162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/030/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062585   0.016241  -0.070581
+    0SOL     H3    3  -0.014772  -0.094545  -0.002307
+    1SOL     O4    4  -0.001731  -0.271460   0.002363
+    1SOL     H5    5   0.045797  -0.319701  -0.065285
+    1SOL     H6    6   0.002112  -0.328114   0.079421
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075393  -0.040502  -0.042870
+    0SOL     H3    3   0.075976  -0.038201  -0.043939
+    1SOL     O4    4   0.177239  -0.176585  -0.129132
+    1SOL     H5    5   0.268837  -0.204119  -0.132876
+    1SOL     H6    6   0.145762  -0.185640  -0.219074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/032/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068646  -0.010847   0.065821
+    0SOL     H3    3   0.021355  -0.064163  -0.067745
+    1SOL     O4    4  -0.151367  -0.010200   0.217586
+    1SOL     H5    5  -0.103870  -0.076002   0.268345
+    1SOL     H6    6  -0.123043  -0.024507   0.127279
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/033/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067893  -0.052348  -0.042575
+    0SOL     H3    3   0.077015  -0.010580  -0.055849
+    1SOL     O4    4   0.127888   0.171660   0.276535
+    1SOL     H5    5   0.138183   0.256285   0.233005
+    1SOL     H6    6   0.033186   0.159719   0.283694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/034/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031775   0.076914  -0.047295
+    0SOL     H3    3   0.049626  -0.000038   0.081851
+    1SOL     O4    4  -0.271595  -0.020795  -0.025024
+    1SOL     H5    5  -0.297598   0.070751  -0.035302
+    1SOL     H6    6  -0.175898  -0.018742  -0.025346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/035/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012593  -0.040697   0.085718
+    0SOL     H3    3  -0.075693  -0.028249  -0.051331
+    1SOL     O4    4  -0.000791   0.255881   0.009246
+    1SOL     H5    5   0.071972   0.290211  -0.042613
+    1SOL     H6    6   0.015148   0.161593   0.013489
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/036/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079383   0.031526  -0.043206
+    0SOL     H3    3  -0.070570   0.051833  -0.038672
+    1SOL     O4    4   0.129840  -0.150901  -0.321761
+    1SOL     H5    5   0.183240  -0.144528  -0.242577
+    1SOL     H6    6   0.157291  -0.076438  -0.375277
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/037/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024920   0.092319   0.004299
+    0SOL     H3    3   0.024441  -0.035461   0.085484
+    1SOL     O4    4   0.178738  -0.167945  -0.109689
+    1SOL     H5    5   0.155461  -0.104902  -0.041526
+    1SOL     H6    6   0.274380  -0.165697  -0.112808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/038/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032156   0.079387  -0.042732
+    0SOL     H3    3   0.095325   0.008294  -0.002567
+    1SOL     O4    4  -0.018320  -0.290484   0.146914
+    1SOL     H5    5  -0.001646  -0.372558   0.193260
+    1SOL     H6    6   0.017681  -0.222809   0.204241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/039/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042734  -0.020411  -0.083184
+    0SOL     H3    3  -0.092373  -0.020200  -0.014882
+    1SOL     O4    4   0.195706   0.181854   0.113871
+    1SOL     H5    5   0.106024   0.162673   0.086456
+    1SOL     H6    6   0.250468   0.130763   0.054263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/040/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031961  -0.005237   0.090074
+    0SOL     H3    3  -0.033144  -0.079434  -0.041882
+    1SOL     O4    4  -0.174507  -0.158458  -0.129238
+    1SOL     H5    5  -0.157738  -0.246184  -0.163665
+    1SOL     H6    6  -0.178521  -0.102581  -0.206852
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/041/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066314   0.028967   0.062656
+    0SOL     H3    3   0.008322  -0.095347  -0.001390
+    1SOL     O4    4  -0.131162  -0.128260   0.305911
+    1SOL     H5    5  -0.182973  -0.198648   0.344942
+    1SOL     H6    6  -0.160447  -0.124560   0.214855
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/042/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035468   0.071978  -0.052188
+    0SOL     H3    3  -0.094579   0.014736   0.000064
+    1SOL     O4    4  -0.120230  -0.174374  -0.295179
+    1SOL     H5    5  -0.053809  -0.214650  -0.351112
+    1SOL     H6    6  -0.111765  -0.080467  -0.311678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/043/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030148   0.084025  -0.034542
+    0SOL     H3    3  -0.043318  -0.065420  -0.054828
+    1SOL     O4    4  -0.159459  -0.181068  -0.145571
+    1SOL     H5    5  -0.164979  -0.276372  -0.152565
+    1SOL     H6    6  -0.160714  -0.150242  -0.236183
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/044/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083321  -0.005651   0.046776
+    0SOL     H3    3  -0.009133   0.092796  -0.021631
+    1SOL     O4    4  -0.204956  -0.157388   0.149352
+    1SOL     H5    5  -0.183473  -0.248187   0.127987
+    1SOL     H6    6  -0.141626  -0.105449   0.099816
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/045/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057174  -0.066642   0.038110
+    0SOL     H3    3   0.028432   0.081977   0.040419
+    1SOL     O4    4  -0.119884   0.337414   0.040648
+    1SOL     H5    5  -0.191802   0.335052  -0.022476
+    1SOL     H6    6  -0.139188   0.266259   0.101694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/046/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052371   0.056586  -0.056724
+    0SOL     H3    3   0.013461  -0.088089  -0.034950
+    1SOL     O4    4   0.003645  -0.259811  -0.016011
+    1SOL     H5    5   0.075563  -0.299446  -0.065195
+    1SOL     H6    6   0.010615  -0.297858   0.071546
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/047/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060487   0.055724   0.048975
+    0SOL     H3    3  -0.015688  -0.088105   0.033965
+    1SOL     O4    4  -0.158284  -0.205503   0.166582
+    1SOL     H5    5  -0.141658  -0.297935   0.185079
+    1SOL     H6    6  -0.153248  -0.162647   0.252024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/048/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028049  -0.073721   0.054229
+    0SOL     H3    3   0.057187   0.072163   0.026162
+    1SOL     O4    4   0.180975   0.156996   0.164736
+    1SOL     H5    5   0.247148   0.125668   0.103077
+    1SOL     H6    6   0.177779   0.251597   0.150497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/049/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060325  -0.039692  -0.062831
+    0SOL     H3    3  -0.008324   0.094179  -0.014943
+    1SOL     O4    4  -0.140990   0.118313   0.291851
+    1SOL     H5    5  -0.189129   0.179896   0.236601
+    1SOL     H6    6  -0.186439   0.121024   0.376049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/050/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094492   0.015187   0.001709
+    0SOL     H3    3  -0.028237   0.014265   0.090341
+    1SOL     O4    4  -0.200568   0.154378  -0.121142
+    1SOL     H5    5  -0.124601   0.125520  -0.070560
+    1SOL     H6    6  -0.197517   0.101853  -0.201106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/051/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086401  -0.005975  -0.040761
+    0SOL     H3    3   0.007764  -0.051433   0.080353
+    1SOL     O4    4   0.296403  -0.087181   0.047763
+    1SOL     H5    5   0.370464  -0.114562  -0.006345
+    1SOL     H6    6   0.306248   0.007702   0.055678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/052/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057795  -0.066867  -0.036754
+    0SOL     H3    3   0.031409   0.082203  -0.037662
+    1SOL     O4    4   0.022195   0.323691   0.157751
+    1SOL     H5    5  -0.005761   0.413549   0.175251
+    1SOL     H6    6  -0.014277   0.272694   0.230080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/053/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033506  -0.089654   0.001378
+    0SOL     H3    3  -0.071113   0.052758   0.036358
+    1SOL     O4    4  -0.190629   0.152294   0.134992
+    1SOL     H5    5  -0.177294   0.228257   0.078298
+    1SOL     H6    6  -0.285436   0.148008   0.147467
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/054/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077286  -0.020522  -0.052612
+    0SOL     H3    3  -0.006989   0.095388  -0.003812
+    1SOL     O4    4  -0.011496   0.275795  -0.029477
+    1SOL     H5    5   0.059234   0.327008  -0.068679
+    1SOL     H6    6  -0.091652   0.318439  -0.059789
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/055/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077469  -0.041204  -0.038251
+    0SOL     H3    3  -0.021855  -0.055106   0.075153
+    1SOL     O4    4   0.005253   0.265931  -0.018969
+    1SOL     H5    5   0.015696   0.171395  -0.008193
+    1SOL     H6    6   0.051042   0.303840   0.056055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/056/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031565  -0.071935  -0.054693
+    0SOL     H3    3  -0.094516   0.001878  -0.015016
+    1SOL     O4    4  -0.277006   0.005326   0.003438
+    1SOL     H5    5  -0.308927   0.093752  -0.014570
+    1SOL     H6    6  -0.337587  -0.052070  -0.043445
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/057/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042053  -0.058361  -0.063149
+    0SOL     H3    3  -0.044215  -0.018446   0.082868
+    1SOL     O4    4  -0.169071   0.192266  -0.140014
+    1SOL     H5    5  -0.166127   0.287869  -0.136293
+    1SOL     H6    6  -0.131718   0.163841  -0.056593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/058/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021439  -0.044763   0.081847
+    0SOL     H3    3  -0.095640   0.003811  -0.000930
+    1SOL     O4    4   0.041732   0.274960  -0.143817
+    1SOL     H5    5   0.005888   0.339245  -0.205013
+    1SOL     H6    6   0.007150   0.191032  -0.174188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/059/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039016   0.075440  -0.044146
+    0SOL     H3    3   0.041948  -0.001807   0.086020
+    1SOL     O4    4  -0.141572   0.127074   0.269491
+    1SOL     H5    5  -0.061576   0.162257   0.230438
+    1SOL     H6    6  -0.212512   0.170537   0.222153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/060/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005772  -0.081745   0.049465
+    0SOL     H3    3   0.008387   0.067973   0.066870
+    1SOL     O4    4  -0.152822   0.007399  -0.229819
+    1SOL     H5    5  -0.245367  -0.004310  -0.208356
+    1SOL     H6    6  -0.108680   0.010296  -0.144935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/061/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083998  -0.037077   0.027054
+    0SOL     H3    3   0.012894   0.094722   0.004873
+    1SOL     O4    4  -0.159095  -0.191157   0.126765
+    1SOL     H5    5  -0.123362  -0.114048   0.082723
+    1SOL     H6    6  -0.252864  -0.173351   0.134020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/062/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019326   0.087324   0.034107
+    0SOL     H3    3  -0.095599  -0.004371  -0.001989
+    1SOL     O4    4   0.184243  -0.165564   0.113345
+    1SOL     H5    5   0.259095  -0.117889   0.077476
+    1SOL     H6    6   0.108290  -0.127987   0.068833
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/063/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066811  -0.010335   0.067763
+    0SOL     H3    3  -0.026056   0.078876  -0.047560
+    1SOL     O4    4  -0.174762  -0.000254   0.216795
+    1SOL     H5    5  -0.134362   0.070828   0.266570
+    1SOL     H6    6  -0.268885   0.014827   0.225502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/064/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094027  -0.003743  -0.017528
+    0SOL     H3    3   0.040515   0.001972  -0.086700
+    1SOL     O4    4   0.156624   0.152941   0.147823
+    1SOL     H5    5   0.238918   0.136650   0.101731
+    1SOL     H6    6   0.094366   0.092104   0.108007
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/065/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050367   0.070492  -0.040698
+    0SOL     H3    3   0.034010  -0.005322   0.089316
+    1SOL     O4    4   0.178197   0.020887   0.230467
+    1SOL     H5    5   0.249719   0.002172   0.169667
+    1SOL     H6    6   0.178308  -0.053130   0.291162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/066/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073580  -0.052806   0.030981
+    0SOL     H3    3   0.077253  -0.053564   0.018031
+    1SOL     O4    4   0.169448  -0.183848   0.134814
+    1SOL     H5    5   0.122764  -0.177192   0.218112
+    1SOL     H6    6   0.118427  -0.246637   0.083660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/067/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071041  -0.035268   0.053588
+    0SOL     H3    3  -0.015554  -0.067137  -0.066431
+    1SOL     O4    4   0.156131  -0.014376   0.221689
+    1SOL     H5    5   0.133413   0.069879   0.261025
+    1SOL     H6    6   0.248432  -0.005640   0.197887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/068/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043466   0.062923  -0.057565
+    0SOL     H3    3   0.065249  -0.020244   0.067046
+    1SOL     O4    4   0.180975   0.013570   0.217914
+    1SOL     H5    5   0.255169   0.021538   0.157963
+    1SOL     H6    6   0.193228  -0.071478   0.260093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/069/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074900  -0.012737   0.058224
+    0SOL     H3    3  -0.005665  -0.072239  -0.062544
+    1SOL     O4    4  -0.160771  -0.297693   0.054527
+    1SOL     H5    5  -0.192521  -0.379548   0.016394
+    1SOL     H6    6  -0.065728  -0.308342   0.058491
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/070/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083202   0.000284   0.047325
+    0SOL     H3    3  -0.005336   0.075671  -0.058376
+    1SOL     O4    4  -0.153971   0.034072   0.221019
+    1SOL     H5    5  -0.117851  -0.045018   0.261050
+    1SOL     H6    6  -0.097708   0.104786   0.252582
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/071/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024196  -0.068549   0.062273
+    0SOL     H3    3   0.000588   0.080609   0.051616
+    1SOL     O4    4   0.193176  -0.008902  -0.195064
+    1SOL     H5    5   0.286567  -0.019305  -0.176833
+    1SOL     H6    6   0.152195  -0.004579  -0.108668
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/072/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028596  -0.091191   0.005372
+    0SOL     H3    3  -0.001332   0.030944   0.090570
+    1SOL     O4    4  -0.032253   0.345622   0.017375
+    1SOL     H5    5   0.043487   0.302711  -0.022430
+    1SOL     H6    6  -0.034057   0.312635   0.107213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/073/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069500  -0.011648  -0.064780
+    0SOL     H3    3  -0.026690   0.091420  -0.009611
+    1SOL     O4    4  -0.164175  -0.183269  -0.140597
+    1SOL     H5    5  -0.104401  -0.237506  -0.089141
+    1SOL     H6    6  -0.154005  -0.095280  -0.104308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/074/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081363  -0.024740   0.043935
+    0SOL     H3    3   0.001281   0.095630   0.003936
+    1SOL     O4    4   0.016021  -0.167046  -0.222462
+    1SOL     H5    5   0.024724  -0.229203  -0.150191
+    1SOL     H6    6   0.000947  -0.082665  -0.179860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/075/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078600  -0.032399   0.043986
+    0SOL     H3    3   0.014870   0.094080  -0.009500
+    1SOL     O4    4   0.166589  -0.206835   0.123401
+    1SOL     H5    5   0.129947  -0.256734   0.050396
+    1SOL     H6    6   0.261085  -0.220623   0.116862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/076/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022815  -0.018471  -0.091108
+    0SOL     H3    3  -0.095592  -0.004448   0.002177
+    1SOL     O4    4  -0.124271   0.278940   0.072762
+    1SOL     H5    5  -0.118509   0.213402   0.142288
+    1SOL     H6    6  -0.047681   0.262401   0.017782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/077/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087895   0.035082  -0.014356
+    0SOL     H3    3   0.018556   0.018670   0.092030
+    1SOL     O4    4   0.165056   0.177678  -0.192801
+    1SOL     H5    5   0.087424   0.148004  -0.145314
+    1SOL     H6    6   0.161471   0.130926  -0.276250
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/078/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076043   0.021497   0.054016
+    0SOL     H3    3  -0.009680   0.074960  -0.058733
+    1SOL     O4    4  -0.149816   0.016060   0.210597
+    1SOL     H5    5  -0.106103   0.096407   0.238807
+    1SOL     H6    6  -0.113193  -0.002064   0.124037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/079/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095656  -0.002195   0.002739
+    0SOL     H3    3   0.020647   0.071219  -0.060530
+    1SOL     O4    4  -0.149094  -0.096745   0.288478
+    1SOL     H5    5  -0.230240  -0.110152   0.239509
+    1SOL     H6    6  -0.134937  -0.002110   0.286019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/080/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075313   0.022469   0.054639
+    0SOL     H3    3  -0.016938   0.043807  -0.083405
+    1SOL     O4    4   0.008748  -0.272771  -0.006617
+    1SOL     H5    5   0.086199  -0.284452   0.048403
+    1SOL     H6    6   0.008253  -0.179439  -0.027857
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/081/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067903  -0.027736  -0.061500
+    0SOL     H3    3  -0.012372  -0.075376   0.057686
+    1SOL     O4    4  -0.166665  -0.313053  -0.053097
+    1SOL     H5    5  -0.223829  -0.380067  -0.015631
+    1SOL     H6    6  -0.192800  -0.307882  -0.145035
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/082/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052324  -0.073534   0.031894
+    0SOL     H3    3  -0.035829   0.019141  -0.086673
+    1SOL     O4    4   0.122630  -0.309169   0.024190
+    1SOL     H5    5   0.195207  -0.326487  -0.035768
+    1SOL     H6    6   0.114001  -0.389640   0.075301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/083/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057580  -0.012079  -0.075505
+    0SOL     H3    3   0.088402  -0.002178  -0.036643
+    1SOL     O4    4   0.167362   0.002187  -0.218211
+    1SOL     H5    5   0.133716  -0.078135  -0.257943
+    1SOL     H6    6   0.262541  -0.007363  -0.221691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/084/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082979  -0.013224  -0.045848
+    0SOL     H3    3   0.003598  -0.060521   0.074071
+    1SOL     O4    4   0.016285   0.177955   0.206965
+    1SOL     H5    5  -0.008001   0.270516   0.204702
+    1SOL     H6    6  -0.009246   0.144338   0.121056
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/085/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045949  -0.011071  -0.083237
+    0SOL     H3    3   0.016856  -0.081253   0.047709
+    1SOL     O4    4   0.201558   0.153930   0.122915
+    1SOL     H5    5   0.136092   0.108032   0.070286
+    1SOL     H6    6   0.179921   0.246606   0.112656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/086/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090813  -0.023987  -0.018437
+    0SOL     H3    3   0.041642  -0.082084   0.026278
+    1SOL     O4    4  -0.277469  -0.032460  -0.002063
+    1SOL     H5    5  -0.292394  -0.116524   0.041212
+    1SOL     H6    6  -0.344995  -0.027993  -0.069758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/087/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006678   0.045541   0.083927
+    0SOL     H3    3   0.009955  -0.092604   0.022087
+    1SOL     O4    4  -0.100616  -0.107011  -0.269217
+    1SOL     H5    5  -0.133787  -0.073444  -0.185938
+    1SOL     H6    6  -0.161982  -0.176425  -0.293264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/088/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003424   0.024771  -0.092396
+    0SOL     H3    3  -0.013061  -0.094825  -0.000076
+    1SOL     O4    4   0.180930   0.171343   0.123104
+    1SOL     H5    5   0.125310   0.106252   0.080303
+    1SOL     H6    6   0.269176   0.134624   0.117940
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/089/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076894   0.026860   0.050282
+    0SOL     H3    3   0.004811  -0.094803   0.012314
+    1SOL     O4    4   0.175409   0.169704   0.150556
+    1SOL     H5    5   0.140466   0.093999   0.103545
+    1SOL     H6    6   0.270397   0.161462   0.142090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/090/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064920  -0.039516  -0.058191
+    0SOL     H3    3   0.022470   0.093035   0.001367
+    1SOL     O4    4   0.019845   0.275890  -0.020192
+    1SOL     H5    5   0.088196   0.321945  -0.068867
+    1SOL     H6    6  -0.061759   0.317029  -0.048663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/091/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076803  -0.008301   0.056522
+    0SOL     H3    3   0.011122  -0.068595  -0.065828
+    1SOL     O4    4   0.023965   0.172264  -0.208889
+    1SOL     H5    5  -0.058329   0.154176  -0.254308
+    1SOL     H6    6   0.018812   0.120671  -0.128428
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/092/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042171   0.078880  -0.034086
+    0SOL     H3    3   0.035949  -0.043350  -0.077400
+    1SOL     O4    4   0.013150  -0.175017  -0.244975
+    1SOL     H5    5   0.058821  -0.137757  -0.320396
+    1SOL     H6    6   0.003278  -0.267800  -0.266333
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/093/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077999  -0.024590  -0.049737
+    0SOL     H3    3   0.018392  -0.076155   0.054995
+    1SOL     O4    4  -0.166996  -0.201937  -0.132506
+    1SOL     H5    5  -0.135154  -0.264503  -0.067438
+    1SOL     H6    6  -0.105160  -0.209348  -0.205196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/094/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022576   0.056390   0.073979
+    0SOL     H3    3  -0.063691   0.050752  -0.050300
+    1SOL     O4    4   0.142433  -0.137171  -0.296797
+    1SOL     H5    5   0.189734  -0.214149  -0.328410
+    1SOL     H6    6   0.192189  -0.062797  -0.330784
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/095/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070576   0.030787   0.056864
+    0SOL     H3    3  -0.013018   0.047327  -0.082177
+    1SOL     O4    4  -0.024396  -0.267380   0.001409
+    1SOL     H5    5  -0.005682  -0.174500  -0.012206
+    1SOL     H6    6  -0.031262  -0.303673  -0.086898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/096/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002037  -0.044832   0.084547
+    0SOL     H3    3   0.085843  -0.021484  -0.036494
+    1SOL     O4    4   0.305154   0.140586   0.081226
+    1SOL     H5    5   0.380291   0.160225   0.025270
+    1SOL     H6    6   0.309167   0.045864   0.094421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/097/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080864  -0.008323  -0.050538
+    0SOL     H3    3  -0.008948  -0.064281   0.070357
+    1SOL     O4    4   0.035661  -0.153295   0.206474
+    1SOL     H5    5  -0.022548  -0.112005   0.270264
+    1SOL     H6    6   0.022337  -0.247237   0.219110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/098/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071219   0.004626  -0.063787
+    0SOL     H3    3   0.015959  -0.081301   0.047935
+    1SOL     O4    4  -0.044645  -0.193193   0.204400
+    1SOL     H5    5  -0.117490  -0.167116   0.260755
+    1SOL     H6    6  -0.028103  -0.284640   0.227334
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/099/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072487  -0.046348  -0.041950
+    0SOL     H3    3  -0.008036  -0.040967   0.086137
+    1SOL     O4    4  -0.013355  -0.163033   0.210636
+    1SOL     H5    5  -0.077077  -0.181383   0.279666
+    1SOL     H6    6  -0.026843  -0.232694   0.146390
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/100/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083043  -0.000424  -0.047602
+    0SOL     H3    3   0.010162   0.069181   0.065369
+    1SOL     O4    4  -0.171405   0.009737  -0.219561
+    1SOL     H5    5  -0.133824   0.086015  -0.263513
+    1SOL     H6    6  -0.118365  -0.001017  -0.140609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/101/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007925  -0.095359  -0.002467
+    0SOL     H3    3  -0.083083   0.031906  -0.035237
+    1SOL     O4    4  -0.022027  -0.262206  -0.020376
+    1SOL     H5    5   0.041057  -0.303267  -0.079509
+    1SOL     H6    6  -0.017805  -0.314794   0.059493
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/102/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024655   0.047356  -0.079447
+    0SOL     H3    3   0.067378   0.023466   0.063811
+    1SOL     O4    4  -0.183747   0.135034   0.148249
+    1SOL     H5    5  -0.136005   0.090212   0.078435
+    1SOL     H6    6  -0.120081   0.143562   0.219215
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/103/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082215  -0.009168   0.048156
+    0SOL     H3    3  -0.002284  -0.070252  -0.064975
+    1SOL     O4    4  -0.128752  -0.322129   0.081864
+    1SOL     H5    5  -0.175774  -0.247551   0.044590
+    1SOL     H6    6  -0.164866  -0.398335   0.036579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/104/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075259   0.005804   0.058862
+    0SOL     H3    3   0.020591   0.060440  -0.071311
+    1SOL     O4    4  -0.165232   0.018951   0.228417
+    1SOL     H5    5  -0.260204   0.019017   0.216474
+    1SOL     H6    6  -0.129951   0.007737   0.140146
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/105/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058272  -0.057136  -0.050022
+    0SOL     H3    3   0.028219  -0.053516   0.074176
+    1SOL     O4    4  -0.142940  -0.165908  -0.173271
+    1SOL     H5    5  -0.115468  -0.243534  -0.124468
+    1SOL     H6    6  -0.110602  -0.180739  -0.262134
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/106/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065046  -0.024325  -0.065875
+    0SOL     H3    3  -0.003884   0.095580   0.003412
+    1SOL     O4    4  -0.171409   0.150494  -0.326309
+    1SOL     H5    5  -0.196516   0.228755  -0.375372
+    1SOL     H6    6  -0.215244   0.160086  -0.241758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/107/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071414   0.010000   0.062947
+    0SOL     H3    3   0.009359   0.074796  -0.058994
+    1SOL     O4    4  -0.169416  -0.012333   0.217600
+    1SOL     H5    5  -0.131291  -0.086573   0.264476
+    1SOL     H6    6  -0.130829  -0.016813   0.130117
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/108/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065841  -0.024245   0.065111
+    0SOL     H3    3  -0.007914  -0.077205  -0.056027
+    1SOL     O4    4   0.291809  -0.038737  -0.127531
+    1SOL     H5    5   0.256524  -0.014816  -0.041828
+    1SOL     H6    6   0.362453   0.024029  -0.142769
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/109/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079440   0.040013   0.035362
+    0SOL     H3    3  -0.016233  -0.094193   0.005153
+    1SOL     O4    4  -0.162544   0.191626   0.107043
+    1SOL     H5    5  -0.127130   0.260754   0.051101
+    1SOL     H6    6  -0.257381   0.197709   0.095587
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/110/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001082   0.080411  -0.051915
+    0SOL     H3    3  -0.079033   0.005078   0.053761
+    1SOL     O4    4   0.111319   0.304975   0.046046
+    1SOL     H5    5   0.148155   0.390284   0.023073
+    1SOL     H6    6   0.131489   0.294373   0.139014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/111/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005143  -0.030989   0.090419
+    0SOL     H3    3  -0.071449  -0.050604  -0.038685
+    1SOL     O4    4   0.030208  -0.201187   0.178598
+    1SOL     H5    5  -0.049079  -0.202261   0.232214
+    1SOL     H6    6   0.018298  -0.273222   0.116700
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/112/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066778  -0.031039   0.061152
+    0SOL     H3    3  -0.005248   0.095437   0.005146
+    1SOL     O4    4  -0.001871   0.257624  -0.034169
+    1SOL     H5    5  -0.013595   0.310034  -0.113403
+    1SOL     H6    6   0.073160   0.297377   0.010016
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/113/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000523   0.094781  -0.013368
+    0SOL     H3    3  -0.011069  -0.036555  -0.087770
+    1SOL     O4    4  -0.013774   0.258662   0.014227
+    1SOL     H5    5  -0.046046   0.312097   0.086791
+    1SOL     H6    6   0.000551   0.321013  -0.056973
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/114/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017976  -0.073242  -0.058947
+    0SOL     H3    3   0.095148  -0.000394   0.010444
+    1SOL     O4    4  -0.161430   0.184055  -0.136914
+    1SOL     H5    5  -0.113210   0.145375  -0.063832
+    1SOL     H6    6  -0.153775   0.278508  -0.123407
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/115/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069636  -0.004510  -0.065520
+    0SOL     H3    3   0.005143  -0.083629   0.046283
+    1SOL     O4    4   0.132594  -0.022632  -0.232801
+    1SOL     H5    5   0.105701   0.052664  -0.285428
+    1SOL     H6    6   0.079993  -0.095286  -0.266221
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/116/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038798  -0.072449  -0.049074
+    0SOL     H3    3   0.052028   0.076405  -0.024855
+    1SOL     O4    4   0.176195   0.004941   0.218301
+    1SOL     H5    5   0.099515  -0.010285   0.163069
+    1SOL     H6    6   0.166233   0.095101   0.248867
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/117/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071232  -0.019861  -0.060778
+    0SOL     H3    3  -0.001951   0.095605   0.004267
+    1SOL     O4    4  -0.141722   0.120094   0.230581
+    1SOL     H5    5  -0.190175   0.059808   0.174187
+    1SOL     H6    6  -0.195239   0.127275   0.309618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/118/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021590  -0.089266  -0.026978
+    0SOL     H3    3   0.095680   0.002729  -0.000453
+    1SOL     O4    4  -0.173039   0.150329  -0.157461
+    1SOL     H5    5  -0.253977   0.122445  -0.114639
+    1SOL     H6    6  -0.105003   0.095725  -0.118067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/119/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001980   0.083516  -0.046727
+    0SOL     H3    3  -0.020543  -0.064750  -0.067437
+    1SOL     O4    4  -0.147531  -0.021145   0.226124
+    1SOL     H5    5  -0.112458   0.044595   0.286211
+    1SOL     H6    6  -0.114122   0.004618   0.140204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/120/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076961  -0.049437  -0.028201
+    0SOL     H3    3  -0.007177  -0.018161   0.093707
+    1SOL     O4    4   0.154361   0.122541   0.276267
+    1SOL     H5    5   0.178489   0.196415   0.220385
+    1SOL     H6    6   0.058652   0.123521   0.277348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/121/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002772  -0.071440   0.063647
+    0SOL     H3    3  -0.076368  -0.019270  -0.054396
+    1SOL     O4    4  -0.141978   0.143269  -0.320589
+    1SOL     H5    5  -0.157875   0.081176  -0.391680
+    1SOL     H6    6  -0.047608   0.159077  -0.323185
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/122/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077350   0.015668  -0.054165
+    0SOL     H3    3  -0.070357   0.047377  -0.044358
+    1SOL     O4    4   0.001773   0.165930   0.227509
+    1SOL     H5    5  -0.011291   0.087740   0.173863
+    1SOL     H6    6  -0.009585   0.238950   0.166669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/123/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064579  -0.060070   0.037194
+    0SOL     H3    3   0.012937  -0.031135  -0.089585
+    1SOL     O4    4   0.171176  -0.176566   0.152730
+    1SOL     H5    5   0.149031  -0.111633   0.085980
+    1SOL     H6    6   0.266041  -0.187059   0.145464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/124/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067530  -0.022264  -0.064081
+    0SOL     H3    3   0.033208   0.078492   0.043572
+    1SOL     O4    4  -0.156662   0.070233  -0.220769
+    1SOL     H5    5  -0.119041   0.146605  -0.264522
+    1SOL     H6    6  -0.111688   0.066357  -0.136361
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/125/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019193   0.034139   0.087341
+    0SOL     H3    3  -0.071940   0.054544  -0.031812
+    1SOL     O4    4  -0.001877   0.157666   0.238233
+    1SOL     H5    5   0.082488   0.156504   0.283439
+    1SOL     H6    6   0.007375   0.226060   0.171909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/126/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007537  -0.070492   0.064315
+    0SOL     H3    3  -0.001493   0.080151   0.052306
+    1SOL     O4    4  -0.028326  -0.155456   0.239931
+    1SOL     H5    5  -0.108223  -0.111640   0.269240
+    1SOL     H6    6  -0.051611  -0.248247   0.236795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/127/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095701   0.001385  -0.001312
+    0SOL     H3    3  -0.025413   0.092114  -0.005620
+    1SOL     O4    4  -0.156094  -0.023564   0.217209
+    1SOL     H5    5  -0.162262  -0.104350   0.268179
+    1SOL     H6    6  -0.093707  -0.043868   0.147509
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/128/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036841  -0.069160  -0.054972
+    0SOL     H3    3  -0.034257   0.081183  -0.037390
+    1SOL     O4    4   0.090081  -0.300183  -0.054900
+    1SOL     H5    5   0.095706  -0.231237  -0.121060
+    1SOL     H6    6   0.086793  -0.381534  -0.105234
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/129/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072377  -0.029184   0.055427
+    0SOL     H3    3   0.005806  -0.066317  -0.068780
+    1SOL     O4    4   0.148067   0.015384   0.203394
+    1SOL     H5    5   0.132439  -0.073101   0.236384
+    1SOL     H6    6   0.114049   0.014000   0.113934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/130/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036320  -0.088175   0.008268
+    0SOL     H3    3   0.001966   0.035207   0.088988
+    1SOL     O4    4   0.028160   0.165288   0.192393
+    1SOL     H5    5   0.015188   0.235084   0.128185
+    1SOL     H6    6  -0.049935   0.168682   0.247637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/131/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009640  -0.035516   0.088363
+    0SOL     H3    3  -0.069375  -0.052723  -0.039620
+    1SOL     O4    4   0.028008  -0.166925   0.210679
+    1SOL     H5    5   0.082795  -0.189428   0.285874
+    1SOL     H6    6   0.043614  -0.237297   0.147699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/132/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095186  -0.009290  -0.003953
+    0SOL     H3    3   0.019781   0.004804   0.093531
+    1SOL     O4    4  -0.257876  -0.013709  -0.018676
+    1SOL     H5    5  -0.271296   0.069600  -0.063863
+    1SOL     H6    6  -0.321558  -0.073099  -0.058422
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/133/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076834  -0.017822  -0.054233
+    0SOL     H3    3   0.074447  -0.013993  -0.058516
+    1SOL     O4    4  -0.175100  -0.020331  -0.211846
+    1SOL     H5    5  -0.149811  -0.096204  -0.264441
+    1SOL     H6    6  -0.270423  -0.016431  -0.219628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/134/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079521   0.020153   0.049321
+    0SOL     H3    3  -0.068869   0.049695   0.044157
+    1SOL     O4    4  -0.154451  -0.137879   0.302156
+    1SOL     H5    5  -0.193181  -0.066257   0.352482
+    1SOL     H6    6  -0.175876  -0.216655   0.352133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/135/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031327   0.007006   0.090177
+    0SOL     H3    3  -0.055380  -0.067355  -0.039480
+    1SOL     O4    4  -0.151476  -0.166062  -0.159708
+    1SOL     H5    5  -0.141278  -0.261091  -0.154443
+    1SOL     H6    6  -0.156152  -0.147587  -0.253511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/136/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027995  -0.072718  -0.055594
+    0SOL     H3    3   0.050301  -0.010760   0.080724
+    1SOL     O4    4   0.160753  -0.012340   0.207642
+    1SOL     H5    5   0.170738  -0.069998   0.283393
+    1SOL     H6    6   0.142617   0.073787   0.245264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/137/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040508   0.073112   0.046648
+    0SOL     H3    3   0.042736  -0.000450  -0.085649
+    1SOL     O4    4   0.195142   0.014690  -0.196903
+    1SOL     H5    5   0.268966   0.014823  -0.135973
+    1SOL     H6    6   0.205021   0.095806  -0.246751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/138/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063122   0.029767   0.065513
+    0SOL     H3    3  -0.011745  -0.094941  -0.003242
+    1SOL     O4    4  -0.163597   0.151780   0.196884
+    1SOL     H5    5  -0.259062   0.145094   0.194893
+    1SOL     H6    6  -0.140750   0.141641   0.289283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/139/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038613  -0.034517  -0.080498
+    0SOL     H3    3  -0.003278   0.095069  -0.010656
+    1SOL     O4    4  -0.016472  -0.156619  -0.216613
+    1SOL     H5    5  -0.092031  -0.185847  -0.267592
+    1SOL     H6    6   0.052868  -0.144233  -0.281427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/140/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024060  -0.068062  -0.062856
+    0SOL     H3    3   0.072472   0.001642   0.062509
+    1SOL     O4    4   0.175755   0.026698   0.204696
+    1SOL     H5    5   0.270482   0.022600   0.217822
+    1SOL     H6    6   0.140152  -0.036876   0.266770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/141/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042171   0.071675   0.047398
+    0SOL     H3    3  -0.093310   0.010596   0.018530
+    1SOL     O4    4   0.013907  -0.284244   0.042662
+    1SOL     H5    5  -0.075817  -0.315628   0.053927
+    1SOL     H6    6   0.005108  -0.189444   0.032768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/142/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074389   0.035806  -0.048441
+    0SOL     H3    3   0.010284  -0.094912  -0.006942
+    1SOL     O4    4  -0.012424   0.165091   0.211666
+    1SOL     H5    5  -0.019072   0.245337   0.159909
+    1SOL     H6    6  -0.015419   0.094539   0.147046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/143/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073942  -0.011590   0.059670
+    0SOL     H3    3  -0.076867   0.001391   0.057025
+    1SOL     O4    4  -0.199792  -0.047892   0.238509
+    1SOL     H5    5  -0.166237  -0.115224   0.297693
+    1SOL     H6    6  -0.294247  -0.047226   0.254006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/144/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093271   0.016250  -0.014101
+    0SOL     H3    3  -0.002741  -0.063604   0.071480
+    1SOL     O4    4   0.288041   0.185451   0.071806
+    1SOL     H5    5   0.363349   0.212052   0.019048
+    1SOL     H6    6   0.303939   0.093137   0.091496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/145/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020969   0.024492   0.090126
+    0SOL     H3    3   0.011262  -0.095009   0.002952
+    1SOL     O4    4   0.199833   0.158006  -0.106961
+    1SOL     H5    5   0.161177   0.162890  -0.194392
+    1SOL     H6    6   0.150027   0.089415  -0.062498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/146/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080283  -0.010807   0.050991
+    0SOL     H3    3  -0.001658  -0.072098  -0.062940
+    1SOL     O4    4  -0.168304  -0.009648   0.212894
+    1SOL     H5    5  -0.128130   0.057943   0.267482
+    1SOL     H6    6  -0.256866  -0.019277   0.247913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/147/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060953   0.009475  -0.073193
+    0SOL     H3    3   0.032114  -0.076165   0.048268
+    1SOL     O4    4  -0.134458  -0.297957  -0.082392
+    1SOL     H5    5  -0.171043  -0.223844  -0.034108
+    1SOL     H6    6  -0.040078  -0.292011  -0.067583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/148/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001632  -0.041142   0.086412
+    0SOL     H3    3   0.066775  -0.048551  -0.048438
+    1SOL     O4    4  -0.025610   0.269583  -0.001989
+    1SOL     H5    5  -0.099243   0.303679  -0.052763
+    1SOL     H6    6  -0.030124   0.174715  -0.013906
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/149/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010919   0.094940   0.005424
+    0SOL     H3    3  -0.011065  -0.028112   0.090827
+    1SOL     O4    4   0.337332   0.165302  -0.018343
+    1SOL     H5    5   0.284322   0.166396  -0.098037
+    1SOL     H6    6   0.427756   0.167909  -0.049629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/150/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004718   0.036782  -0.088245
+    0SOL     H3    3   0.006327  -0.094522  -0.013705
+    1SOL     O4    4   0.016201   0.135076  -0.252212
+    1SOL     H5    5   0.091655   0.143287  -0.310536
+    1SOL     H6    6   0.015344   0.216825  -0.202426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/151/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090059   0.030792  -0.010174
+    0SOL     H3    3   0.027165   0.033131   0.085596
+    1SOL     O4    4   0.064096  -0.274386   0.147346
+    1SOL     H5    5   0.024051  -0.198090   0.189030
+    1SOL     H6    6   0.158116  -0.256633   0.150065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/152/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042053   0.063110  -0.058404
+    0SOL     H3    3  -0.092323   0.001788  -0.025211
+    1SOL     O4    4  -0.294084  -0.027492  -0.034521
+    1SOL     H5    5  -0.362000  -0.083416  -0.072234
+    1SOL     H6    6  -0.322292  -0.013070   0.055804
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/153/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061293   0.022017  -0.070148
+    0SOL     H3    3   0.006353   0.073250   0.061289
+    1SOL     O4    4  -0.000766   0.185219   0.249226
+    1SOL     H5    5   0.078384   0.172627   0.301562
+    1SOL     H6    6  -0.002525   0.279088   0.230578
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/154/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071495   0.023675  -0.059079
+    0SOL     H3    3  -0.076844   0.043839  -0.036543
+    1SOL     O4    4   0.170909   0.175241  -0.140725
+    1SOL     H5    5   0.133671   0.252031  -0.097378
+    1SOL     H6    6   0.134901   0.177906  -0.229374
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/155/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071195   0.008210  -0.063452
+    0SOL     H3    3  -0.079785   0.005930  -0.052550
+    1SOL     O4    4   0.016212  -0.168067   0.208968
+    1SOL     H5    5  -0.014066  -0.125183   0.128928
+    1SOL     H6    6   0.083920  -0.109760   0.243295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/156/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070644   0.036992   0.052946
+    0SOL     H3    3  -0.080222   0.031555   0.041605
+    1SOL     O4    4   0.286172  -0.162284   0.071897
+    1SOL     H5    5   0.349199  -0.169236   0.143602
+    1SOL     H6    6   0.200704  -0.170679   0.114171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/157/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093912   0.016846  -0.007684
+    0SOL     H3    3   0.019588   0.015019   0.092483
+    1SOL     O4    4   0.030457  -0.266032   0.131153
+    1SOL     H5    5  -0.006344  -0.192509   0.180166
+    1SOL     H6    6   0.125209  -0.255803   0.140086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/158/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066172   0.051963   0.045645
+    0SOL     H3    3   0.006186  -0.086906   0.039641
+    1SOL     O4    4   0.171836  -0.151831   0.176994
+    1SOL     H5    5   0.178151  -0.121123   0.267434
+    1SOL     H6    6   0.169198  -0.247245   0.184175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/159/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069950  -0.045149  -0.047232
+    0SOL     H3    3   0.003742  -0.036017   0.088606
+    1SOL     O4    4   0.276834   0.106255  -0.071206
+    1SOL     H5    5   0.353448   0.111708  -0.128328
+    1SOL     H6    6   0.278352   0.187840  -0.021167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/160/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037237  -0.073207  -0.049158
+    0SOL     H3    3   0.043468   0.077454  -0.035689
+    1SOL     O4    4   0.180564  -0.001725   0.201171
+    1SOL     H5    5   0.102108   0.005509   0.146813
+    1SOL     H6    6   0.179972   0.077535   0.254834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/161/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082472  -0.001307   0.048569
+    0SOL     H3    3  -0.009383  -0.069542  -0.065101
+    1SOL     O4    4  -0.158488  -0.013595   0.219414
+    1SOL     H5    5  -0.118583  -0.091874   0.257392
+    1SOL     H6    6  -0.252345  -0.032377   0.218833
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/162/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001999   0.095697   0.000693
+    0SOL     H3    3  -0.072535  -0.022910   0.058105
+    1SOL     O4    4  -0.154710  -0.184506   0.139133
+    1SOL     H5    5  -0.098412  -0.259647   0.120513
+    1SOL     H6    6  -0.135782  -0.162347   0.230309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/163/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004999   0.093544  -0.019671
+    0SOL     H3    3  -0.005806  -0.042265  -0.085687
+    1SOL     O4    4   0.018599  -0.165621  -0.194962
+    1SOL     H5    5  -0.045327  -0.183520  -0.263921
+    1SOL     H6    6   0.099698  -0.146079  -0.241902
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/164/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022390  -0.083778  -0.040525
+    0SOL     H3    3   0.061966   0.008958   0.072404
+    1SOL     O4    4   0.134038  -0.183131  -0.156963
+    1SOL     H5    5   0.112842  -0.275478  -0.170571
+    1SOL     H6    6   0.136376  -0.145809  -0.245076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/165/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029560   0.086612  -0.028050
+    0SOL     H3    3  -0.094325   0.009865   0.012950
+    1SOL     O4    4   0.183546  -0.181628  -0.120031
+    1SOL     H5    5   0.255198  -0.189952  -0.057110
+    1SOL     H6    6   0.126422  -0.114552  -0.082615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/166/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011022  -0.052558  -0.079237
+    0SOL     H3    3   0.024174   0.086907  -0.032017
+    1SOL     O4    4   0.184795  -0.160244   0.128800
+    1SOL     H5    5   0.136666  -0.234310   0.091918
+    1SOL     H6    6   0.155989  -0.084871   0.077309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/167/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071956   0.055561  -0.029962
+    0SOL     H3    3  -0.077282   0.034721  -0.044545
+    1SOL     O4    4  -0.193054   0.164380  -0.116652
+    1SOL     H5    5  -0.177943   0.238266  -0.057704
+    1SOL     H6    6  -0.288037   0.152522  -0.116410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/168/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094538  -0.009793   0.011355
+    0SOL     H3    3  -0.010516   0.086093  -0.040494
+    1SOL     O4    4  -0.143747   0.050488   0.224917
+    1SOL     H5    5  -0.228200   0.060013   0.180880
+    1SOL     H6    6  -0.085972   0.013348   0.158246
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/169/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015515   0.052493  -0.078524
+    0SOL     H3    3  -0.010971  -0.090528  -0.029096
+    1SOL     O4    4  -0.205002   0.172699   0.116189
+    1SOL     H5    5  -0.166470   0.091121   0.084209
+    1SOL     H6    6  -0.171234   0.181882   0.205283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/170/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056245   0.062508   0.045734
+    0SOL     H3    3   0.018879   0.041732  -0.084049
+    1SOL     O4    4   0.008575   0.159730  -0.196909
+    1SOL     H5    5  -0.057355   0.206148  -0.248493
+    1SOL     H6    6   0.081314   0.146092  -0.257616
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/171/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074534   0.010900  -0.059061
+    0SOL     H3    3   0.011029   0.068896   0.065528
+    1SOL     O4    4   0.193723   0.010288  -0.187091
+    1SOL     H5    5   0.176558  -0.053503  -0.256362
+    1SOL     H6    6   0.289162   0.013413  -0.180457
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/172/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020182   0.075048   0.055882
+    0SOL     H3    3   0.092837   0.010031  -0.021049
+    1SOL     O4    4  -0.209708  -0.025215  -0.211431
+    1SOL     H5    5  -0.126580  -0.014722  -0.165150
+    1SOL     H6    6  -0.203893   0.035427  -0.285262
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/173/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052232  -0.070814   0.037676
+    0SOL     H3    3  -0.039574   0.016052  -0.085665
+    1SOL     O4    4  -0.147240  -0.005460  -0.242652
+    1SOL     H5    5  -0.226097  -0.002686  -0.188464
+    1SOL     H6    6  -0.146271   0.078857  -0.287951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/174/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065200  -0.026598  -0.064837
+    0SOL     H3    3   0.007291   0.094829  -0.010802
+    1SOL     O4    4   0.134283   0.109953   0.319953
+    1SOL     H5    5   0.184813   0.169470   0.264574
+    1SOL     H6    6   0.043491   0.138201   0.308949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/175/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048451   0.046808   0.067998
+    0SOL     H3    3  -0.059747  -0.068989  -0.028864
+    1SOL     O4    4  -0.146243  -0.204407  -0.161168
+    1SOL     H5    5  -0.163657  -0.175133  -0.250623
+    1SOL     H6    6  -0.171938  -0.296612  -0.160661
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/176/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038224  -0.075623  -0.044524
+    0SOL     H3    3   0.094410  -0.015453  -0.003211
+    1SOL     O4    4   0.128659   0.129666  -0.244686
+    1SOL     H5    5   0.049197   0.165271  -0.284441
+    1SOL     H6    6   0.128237   0.163980  -0.155329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/177/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081464   0.009390  -0.049373
+    0SOL     H3    3   0.067869  -0.008154  -0.067005
+    1SOL     O4    4  -0.025007   0.171360   0.217045
+    1SOL     H5    5  -0.016113   0.261032   0.184762
+    1SOL     H6    6  -0.021731   0.117063   0.138283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/178/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023566  -0.082490  -0.042454
+    0SOL     H3    3   0.095411   0.003976  -0.006577
+    1SOL     O4    4  -0.127913  -0.185516  -0.145585
+    1SOL     H5    5  -0.106944  -0.154596  -0.233712
+    1SOL     H6    6  -0.210953  -0.142913  -0.124330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/179/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019679  -0.073266   0.058371
+    0SOL     H3    3   0.073426  -0.030727  -0.053168
+    1SOL     O4    4  -0.069927   0.143768   0.230098
+    1SOL     H5    5  -0.053690   0.147408   0.135835
+    1SOL     H6    6  -0.081446   0.235190   0.256013
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/180/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077032   0.019287   0.053445
+    0SOL     H3    3   0.025602   0.024804  -0.088835
+    1SOL     O4    4   0.033297   0.174207  -0.218716
+    1SOL     H5    5  -0.041567   0.175941  -0.278337
+    1SOL     H6    6   0.107136   0.203633  -0.272047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/181/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069607   0.005092  -0.065508
+    0SOL     H3    3  -0.078313   0.030569  -0.045770
+    1SOL     O4    4   0.294542   0.161054   0.040005
+    1SOL     H5    5   0.374549   0.199927   0.004648
+    1SOL     H6    6   0.284976   0.200496   0.126695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/182/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093034  -0.002518  -0.022374
+    0SOL     H3    3  -0.045117  -0.007610  -0.084076
+    1SOL     O4    4   0.143886   0.338688   0.018308
+    1SOL     H5    5   0.072472   0.350250  -0.044372
+    1SOL     H6    6   0.222559   0.332357  -0.035847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/183/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095476  -0.006184  -0.002906
+    0SOL     H3    3   0.026407  -0.066241   0.063852
+    1SOL     O4    4  -0.267377  -0.001289  -0.019480
+    1SOL     H5    5  -0.297634   0.087614  -0.000956
+    1SOL     H6    6  -0.305416  -0.022304  -0.104766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/184/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093888   0.010171  -0.015620
+    0SOL     H3    3  -0.010121   0.012491   0.094360
+    1SOL     O4    4   0.107421  -0.112075  -0.279248
+    1SOL     H5    5   0.030221  -0.144872  -0.325364
+    1SOL     H6    6   0.181559  -0.146930  -0.328757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/185/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070300   0.053395   0.037003
+    0SOL     H3    3   0.080197   0.036971   0.036931
+    1SOL     O4    4   0.143788  -0.118276   0.282595
+    1SOL     H5    5   0.151114  -0.035693   0.330434
+    1SOL     H6    6   0.054248  -0.118548   0.248758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/186/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074705  -0.043243   0.041371
+    0SOL     H3    3  -0.011902  -0.046609  -0.082754
+    1SOL     O4    4  -0.117202   0.182029   0.255713
+    1SOL     H5    5  -0.022375   0.170434   0.249728
+    1SOL     H6    6  -0.149662   0.159714   0.168474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/187/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070913  -0.020026   0.061096
+    0SOL     H3    3  -0.003108   0.095633  -0.002645
+    1SOL     O4    4  -0.144197   0.115611  -0.289340
+    1SOL     H5    5  -0.175934   0.205906  -0.287944
+    1SOL     H6    6  -0.192530   0.072097  -0.219106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/188/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074295   0.006384   0.060015
+    0SOL     H3    3   0.025877  -0.067097  -0.063173
+    1SOL     O4    4   0.305023  -0.127577  -0.056879
+    1SOL     H5    5   0.389670  -0.169448  -0.041263
+    1SOL     H6    6   0.317601  -0.036881  -0.028981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/189/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010842   0.094561   0.010143
+    0SOL     H3    3   0.021251  -0.031288   0.087930
+    1SOL     O4    4  -0.028642   0.274292   0.021001
+    1SOL     H5    5  -0.106980   0.311422  -0.019580
+    1SOL     H6    6  -0.018230   0.323439   0.102478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/190/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031505  -0.085174   0.030251
+    0SOL     H3    3  -0.056617   0.063496   0.043876
+    1SOL     O4    4   0.124922   0.145411  -0.289145
+    1SOL     H5    5   0.197942   0.189447  -0.245655
+    1SOL     H6    6   0.046892   0.179308  -0.245275
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/191/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078896  -0.022849   0.049149
+    0SOL     H3    3  -0.068013  -0.056948   0.035964
+    1SOL     O4    4  -0.314931  -0.070862  -0.177381
+    1SOL     H5    5  -0.274417  -0.156479  -0.191188
+    1SOL     H6    6  -0.304821  -0.054364  -0.083637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/192/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064822  -0.055977   0.042744
+    0SOL     H3    3  -0.031470   0.008778  -0.089972
+    1SOL     O4    4   0.116604  -0.151659  -0.266521
+    1SOL     H5    5   0.179487  -0.196057  -0.209627
+    1SOL     H6    6   0.135120  -0.185802  -0.354007
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/193/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036262  -0.060420   0.064783
+    0SOL     H3    3  -0.024388  -0.037892  -0.084450
+    1SOL     O4    4   0.152943  -0.303323   0.096263
+    1SOL     H5    5   0.227518  -0.303058   0.036256
+    1SOL     H6    6   0.174619  -0.370237   0.161186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/194/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047257  -0.064942   0.052073
+    0SOL     H3    3  -0.044246  -0.000490  -0.084879
+    1SOL     O4    4  -0.130846   0.184700   0.135316
+    1SOL     H5    5  -0.205054   0.159841   0.080203
+    1SOL     H6    6  -0.057918   0.132076   0.102538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/195/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094102  -0.016171  -0.006754
+    0SOL     H3    3   0.018725  -0.006038   0.093676
+    1SOL     O4    4   0.194511   0.138954  -0.141977
+    1SOL     H5    5   0.204517   0.101378  -0.229443
+    1SOL     H6    6   0.109592   0.106852  -0.111637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/196/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059067   0.061740  -0.043146
+    0SOL     H3    3   0.043189  -0.020591   0.082904
+    1SOL     O4    4   0.169834   0.001156   0.226962
+    1SOL     H5    5   0.209443   0.074495   0.274024
+    1SOL     H6    6   0.225704  -0.011089   0.150210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/197/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037309   0.031809  -0.082211
+    0SOL     H3    3  -0.094207   0.014151  -0.009335
+    1SOL     O4    4   0.131730   0.175524   0.148686
+    1SOL     H5    5   0.148543   0.138342   0.235272
+    1SOL     H6    6   0.069232   0.115243   0.108406
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/198/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086430   0.021300  -0.035193
+    0SOL     H3    3   0.015319   0.066011   0.067603
+    1SOL     O4    4  -0.119734  -0.143513   0.263867
+    1SOL     H5    5  -0.024086  -0.145164   0.267186
+    1SOL     H6    6  -0.147127  -0.156564   0.354650
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/199/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081568   0.032765  -0.037887
+    0SOL     H3    3  -0.065096   0.066691  -0.021842
+    1SOL     O4    4   0.001948  -0.289443   0.030650
+    1SOL     H5    5   0.004238  -0.200083   0.064882
+    1SOL     H6    6  -0.008473  -0.344587   0.108192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/200/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031261  -0.017667  -0.088729
+    0SOL     H3    3  -0.048674  -0.078722   0.024415
+    1SOL     O4    4   0.156971  -0.206625   0.139399
+    1SOL     H5    5   0.247578  -0.232469   0.122522
+    1SOL     H6    6   0.148129  -0.121172   0.097187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/201/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068027   0.006920   0.066984
+    0SOL     H3    3  -0.032548  -0.066691  -0.060459
+    1SOL     O4    4  -0.022264   0.203531  -0.211935
+    1SOL     H5    5  -0.006654   0.163816  -0.126254
+    1SOL     H6    6  -0.107756   0.169870  -0.238774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/202/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009269   0.093857   0.016350
+    0SOL     H3    3   0.002907  -0.039910   0.086954
+    1SOL     O4    4   0.294394  -0.053699   0.136639
+    1SOL     H5    5   0.375993  -0.012670   0.165283
+    1SOL     H6    6   0.227740  -0.018177   0.195441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/203/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034486   0.005343  -0.089132
+    0SOL     H3    3  -0.012614  -0.091486   0.025169
+    1SOL     O4    4   0.098158   0.109186  -0.282024
+    1SOL     H5    5   0.172671   0.168125  -0.270350
+    1SOL     H6    6   0.023364   0.157930  -0.247497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/204/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094337  -0.016055   0.002272
+    0SOL     H3    3  -0.029446  -0.017289   0.089422
+    1SOL     O4    4   0.154723  -0.118672   0.274632
+    1SOL     H5    5   0.140506  -0.025751   0.292683
+    1SOL     H6    6   0.143329  -0.161608   0.359419
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/205/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026998   0.070335  -0.059046
+    0SOL     H3    3  -0.094545   0.011575   0.009463
+    1SOL     O4    4   0.185417  -0.149192  -0.180177
+    1SOL     H5    5   0.276589  -0.123606  -0.166203
+    1SOL     H6    6   0.141702  -0.128289  -0.097627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/206/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020592   0.084664  -0.039626
+    0SOL     H3    3  -0.046707  -0.063763  -0.053991
+    1SOL     O4    4   0.140864  -0.279413  -0.053931
+    1SOL     H5    5   0.066241  -0.267521   0.004824
+    1SOL     H6    6   0.117518  -0.355361  -0.107308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/207/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074398   0.002957   0.060154
+    0SOL     H3    3   0.014400   0.073495  -0.059610
+    1SOL     O4    4  -0.009731   0.171065  -0.219043
+    1SOL     H5    5  -0.058445   0.120132  -0.283813
+    1SOL     H6    6   0.081423   0.165432  -0.247705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/208/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077364  -0.007198  -0.055905
+    0SOL     H3    3  -0.073942  -0.005227  -0.060561
+    1SOL     O4    4  -0.157094  -0.040765  -0.215094
+    1SOL     H5    5  -0.112471  -0.116209  -0.253556
+    1SOL     H6    6  -0.143226   0.029985  -0.278058
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/209/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041774  -0.068221  -0.052566
+    0SOL     H3    3   0.051883   0.003521   0.080362
+    1SOL     O4    4   0.156604   0.204570  -0.154375
+    1SOL     H5    5   0.167663   0.299386  -0.147312
+    1SOL     H6    6   0.077148   0.185885  -0.104376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/210/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039417   0.017873   0.085377
+    0SOL     H3    3   0.094079   0.010221   0.014389
+    1SOL     O4    4   0.253360   0.050761   0.021499
+    1SOL     H5    5   0.299409   0.051657   0.105409
+    1SOL     H6    6   0.287914   0.126559  -0.025649
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/211/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024853  -0.076504   0.051883
+    0SOL     H3    3   0.094472   0.008188   0.013052
+    1SOL     O4    4  -0.180147  -0.173931   0.129411
+    1SOL     H5    5  -0.252341  -0.119216   0.098481
+    1SOL     H6    6  -0.158605  -0.138681   0.215757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/212/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050869  -0.060874   0.053564
+    0SOL     H3    3  -0.039275  -0.006067  -0.087081
+    1SOL     O4    4  -0.157098  -0.014318  -0.238835
+    1SOL     H5    5  -0.234437   0.014014  -0.190068
+    1SOL     H6    6  -0.147709   0.050454  -0.308682
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/213/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084053  -0.019005  -0.041669
+    0SOL     H3    3   0.020808   0.064318   0.067768
+    1SOL     O4    4   0.017052   0.185618   0.207965
+    1SOL     H5    5  -0.064731   0.156333   0.248166
+    1SOL     H6    6   0.084433   0.164678   0.272646
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/214/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082781  -0.034087   0.033877
+    0SOL     H3    3  -0.012975  -0.046349  -0.082739
+    1SOL     O4    4   0.002126  -0.168149  -0.209913
+    1SOL     H5    5   0.074700  -0.182663  -0.270615
+    1SOL     H6    6   0.007016  -0.241552  -0.148672
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/215/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023785  -0.056501  -0.073513
+    0SOL     H3    3  -0.057327  -0.028035   0.071344
+    1SOL     O4    4  -0.062551   0.293933   0.122669
+    1SOL     H5    5  -0.005419   0.227163   0.160617
+    1SOL     H6    6  -0.017162   0.322017   0.043212
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/216/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044952   0.069907  -0.047484
+    0SOL     H3    3   0.051519  -0.011779   0.079808
+    1SOL     O4    4  -0.129209  -0.322008  -0.088651
+    1SOL     H5    5  -0.074123  -0.330009  -0.010781
+    1SOL     H6    6  -0.133657  -0.410800  -0.124128
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/217/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043362  -0.001226   0.085326
+    0SOL     H3    3   0.089692   0.027470   0.019054
+    1SOL     O4    4   0.142606   0.330021  -0.082433
+    1SOL     H5    5   0.213758   0.342585  -0.019649
+    1SOL     H6    6   0.155907   0.398644  -0.147827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/218/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062123  -0.059960   0.041327
+    0SOL     H3    3  -0.032817   0.087263   0.021691
+    1SOL     O4    4  -0.193432  -0.152006   0.107297
+    1SOL     H5    5  -0.200384  -0.247380   0.103063
+    1SOL     H6    6  -0.177406  -0.133194   0.199772
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/219/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059583   0.055903  -0.049870
+    0SOL     H3    3   0.087428   0.027165  -0.027941
+    1SOL     O4    4  -0.306740   0.054391   0.089052
+    1SOL     H5    5  -0.369018   0.005781   0.143098
+    1SOL     H6    6  -0.319283   0.019571   0.000776
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/220/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049461   0.021700   0.079026
+    0SOL     H3    3   0.012216   0.075570  -0.057465
+    1SOL     O4    4   0.149905  -0.272479   0.065250
+    1SOL     H5    5   0.204078  -0.193814   0.058983
+    1SOL     H6    6   0.182499  -0.317939   0.142925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/221/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066155   0.042224  -0.054799
+    0SOL     H3    3  -0.000175   0.050996   0.081004
+    1SOL     O4    4  -0.180485   0.183400  -0.099058
+    1SOL     H5    5  -0.137915   0.103829  -0.067141
+    1SOL     H6    6  -0.270084   0.156309  -0.119068
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/222/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017288  -0.078091  -0.052585
+    0SOL     H3    3  -0.023652  -0.025415   0.089202
+    1SOL     O4    4   0.278386  -0.015848   0.004994
+    1SOL     H5    5   0.276357  -0.101491  -0.037708
+    1SOL     H6    6   0.186621   0.011056   0.009192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/223/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082818   0.041913  -0.023384
+    0SOL     H3    3  -0.066721   0.065382  -0.020876
+    1SOL     O4    4  -0.172275   0.183800  -0.093234
+    1SOL     H5    5  -0.267841   0.187687  -0.089447
+    1SOL     H6    6  -0.152059   0.180965  -0.186752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/224/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025709  -0.083751  -0.038564
+    0SOL     H3    3  -0.095481  -0.004289   0.005231
+    1SOL     O4    4   0.037939  -0.309361   0.159932
+    1SOL     H5    5   0.031869  -0.294411   0.065582
+    1SOL     H6    6   0.131929  -0.310969   0.177977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/225/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091861   0.002508  -0.026788
+    0SOL     H3    3  -0.047407  -0.025372  -0.079190
+    1SOL     O4    4  -0.063171   0.266316  -0.193169
+    1SOL     H5    5  -0.153927   0.269633  -0.162928
+    1SOL     H6    6  -0.011154   0.264614  -0.112834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/226/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083711   0.023745  -0.039886
+    0SOL     H3    3  -0.017674   0.070394   0.062407
+    1SOL     O4    4   0.011129   0.184096   0.192460
+    1SOL     H5    5   0.073964   0.163299   0.261609
+    1SOL     H6    6  -0.001019   0.278832   0.198771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/227/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051463   0.013701   0.079537
+    0SOL     H3    3   0.045573   0.050798  -0.067119
+    1SOL     O4    4   0.169244  -0.046494   0.232375
+    1SOL     H5    5   0.244743  -0.060078   0.175124
+    1SOL     H6    6   0.184525  -0.105044   0.306543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/228/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016221   0.094287  -0.003023
+    0SOL     H3    3  -0.090745  -0.009678  -0.028880
+    1SOL     O4    4  -0.001044  -0.215999   0.196328
+    1SOL     H5    5   0.033941  -0.144179   0.143601
+    1SOL     H6    6  -0.002793  -0.290883   0.136733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/229/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032935   0.084750   0.029916
+    0SOL     H3    3   0.094871   0.011603  -0.005212
+    1SOL     O4    4  -0.149103   0.175166   0.149420
+    1SOL     H5    5  -0.233889   0.150647   0.112372
+    1SOL     H6    6  -0.139389   0.119033   0.226343
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/230/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054400  -0.007074   0.078441
+    0SOL     H3    3  -0.033515   0.077220  -0.045564
+    1SOL     O4    4  -0.200371   0.178708  -0.101364
+    1SOL     H5    5  -0.177062   0.159282  -0.192147
+    1SOL     H6    6  -0.208330   0.274054  -0.098506
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/231/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077099  -0.017171   0.054066
+    0SOL     H3    3   0.029829   0.063893  -0.064732
+    1SOL     O4    4  -0.148595  -0.359001   0.064435
+    1SOL     H5    5  -0.165183  -0.427171  -0.000681
+    1SOL     H6    6  -0.053546  -0.359235   0.075745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/232/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017652   0.071433  -0.061221
+    0SOL     H3    3  -0.095250  -0.000517   0.009456
+    1SOL     O4    4   0.144767  -0.204471  -0.133383
+    1SOL     H5    5   0.082046  -0.177792  -0.066178
+    1SOL     H6    6   0.147644  -0.299934  -0.126982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/233/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007171  -0.073900   0.060413
+    0SOL     H3    3   0.069213  -0.025503  -0.061004
+    1SOL     O4    4  -0.113703  -0.307833  -0.074404
+    1SOL     H5    5  -0.145511  -0.313406  -0.164512
+    1SOL     H6    6  -0.157876  -0.379520  -0.028884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/234/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074975  -0.039853   0.044190
+    0SOL     H3    3  -0.001000  -0.037924  -0.087881
+    1SOL     O4    4  -0.133290   0.104041  -0.305566
+    1SOL     H5    5  -0.042790   0.131486  -0.320356
+    1SOL     H6    6  -0.174356   0.178988  -0.262452
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/235/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092835   0.005496   0.022667
+    0SOL     H3    3   0.030994  -0.078765   0.044696
+    1SOL     O4    4   0.173920  -0.162710   0.140094
+    1SOL     H5    5   0.268932  -0.154936   0.131455
+    1SOL     H6    6   0.157635  -0.154719   0.234079
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/236/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078840   0.008962   0.053537
+    0SOL     H3    3   0.013510   0.060503  -0.072932
+    1SOL     O4    4  -0.020176  -0.188972  -0.228843
+    1SOL     H5    5   0.043916  -0.136538  -0.276857
+    1SOL     H6    6  -0.026857  -0.146365  -0.143390
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/237/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073162  -0.029313  -0.054318
+    0SOL     H3    3  -0.004311  -0.055356   0.077970
+    1SOL     O4    4  -0.007365   0.281122   0.008219
+    1SOL     H5    5  -0.026127   0.190514   0.032722
+    1SOL     H6    6  -0.028835   0.332055   0.086367
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/238/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070944   0.038641   0.051343
+    0SOL     H3    3   0.079788   0.025449   0.046353
+    1SOL     O4    4   0.303463  -0.182533   0.111707
+    1SOL     H5    5   0.225105  -0.178178   0.166509
+    1SOL     H6    6   0.282328  -0.247577   0.044738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/239/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021870   0.073345   0.057485
+    0SOL     H3    3   0.095410   0.002764  -0.007190
+    1SOL     O4    4   0.144232   0.269728   0.079993
+    1SOL     H5    5   0.228226   0.292102   0.039909
+    1SOL     H6    6   0.079690   0.286197   0.011251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/240/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023936   0.076950  -0.051654
+    0SOL     H3    3  -0.057141   0.003857   0.076696
+    1SOL     O4    4  -0.043535  -0.266839   0.145037
+    1SOL     H5    5  -0.020634  -0.320490   0.220928
+    1SOL     H6    6   0.004489  -0.306408   0.072303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/241/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011567  -0.077996  -0.054269
+    0SOL     H3    3  -0.006765  -0.033708   0.089333
+    1SOL     O4    4   0.104013  -0.186653  -0.241468
+    1SOL     H5    5   0.121097  -0.277047  -0.267914
+    1SOL     H6    6   0.178086  -0.137045  -0.276316
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/242/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067831   0.015655  -0.065698
+    0SOL     H3    3  -0.081647  -0.002396  -0.049904
+    1SOL     O4    4  -0.158288  -0.327511  -0.060728
+    1SOL     H5    5  -0.191360  -0.412828  -0.032630
+    1SOL     H6    6  -0.190770  -0.266259   0.005267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/243/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069650   0.032710   0.056932
+    0SOL     H3    3  -0.080928   0.020899   0.046650
+    1SOL     O4    4  -0.098235  -0.158785  -0.219662
+    1SOL     H5    5  -0.104508  -0.086911  -0.156756
+    1SOL     H6    6  -0.004482  -0.167478  -0.236899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/244/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014518  -0.091634  -0.023552
+    0SOL     H3    3   0.005178   0.045809  -0.083887
+    1SOL     O4    4   0.157685   0.173369   0.115419
+    1SOL     H5    5   0.120543   0.184072   0.202988
+    1SOL     H6    6   0.105915   0.103282   0.075796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/245/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035281   0.024947   0.085412
+    0SOL     H3    3   0.090436   0.031335   0.001309
+    1SOL     O4    4   0.079440  -0.109376  -0.292480
+    1SOL     H5    5   0.109345  -0.130134  -0.381008
+    1SOL     H6    6   0.141660  -0.043861  -0.260876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/246/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081882  -0.009739  -0.048608
+    0SOL     H3    3   0.067088   0.009362  -0.067630
+    1SOL     O4    4  -0.191303   0.000042  -0.194325
+    1SOL     H5    5  -0.180321   0.074743  -0.253160
+    1SOL     H6    6  -0.286105  -0.009950  -0.185662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/247/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048363  -0.058763   0.058054
+    0SOL     H3    3  -0.005078  -0.041701  -0.086009
+    1SOL     O4    4  -0.016701   0.257741   0.014184
+    1SOL     H5    5   0.065987   0.279943   0.056986
+    1SOL     H6    6  -0.011886   0.163160   0.000272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/248/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013347   0.031410   0.089429
+    0SOL     H3    3   0.085244  -0.043479   0.002306
+    1SOL     O4    4  -0.148769  -0.217563   0.175956
+    1SOL     H5    5  -0.072606  -0.181705   0.130396
+    1SOL     H6    6  -0.138028  -0.312468   0.169638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/249/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062021  -0.037990   0.062229
+    0SOL     H3    3  -0.015037  -0.048195  -0.081324
+    1SOL     O4    4  -0.102825   0.165749   0.299509
+    1SOL     H5    5  -0.141129   0.088621   0.341299
+    1SOL     H6    6  -0.010154   0.162364   0.323233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/250/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006941   0.077916   0.055166
+    0SOL     H3    3  -0.005600  -0.072804   0.061891
+    1SOL     O4    4  -0.017578   0.171654   0.215811
+    1SOL     H5    5  -0.023777   0.266142   0.229805
+    1SOL     H6    6  -0.094559   0.135756   0.259943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/251/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061451  -0.042961   0.059502
+    0SOL     H3    3  -0.022342  -0.034372  -0.086497
+    1SOL     O4    4  -0.010324  -0.159190  -0.228137
+    1SOL     H5    5  -0.007658  -0.227661  -0.161303
+    1SOL     H6    6   0.056758  -0.184808  -0.291430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/252/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092502  -0.024387   0.003311
+    0SOL     H3    3   0.023726   0.016587   0.091237
+    1SOL     O4    4  -0.273777  -0.021371   0.026464
+    1SOL     H5    5  -0.297267  -0.080145   0.098270
+    1SOL     H6    6  -0.330112  -0.048375  -0.046059
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/253/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015376   0.093961   0.009864
+    0SOL     H3    3  -0.071926  -0.019001   0.060232
+    1SOL     O4    4   0.017259  -0.139007  -0.228343
+    1SOL     H5    5   0.013218  -0.213992  -0.168986
+    1SOL     H6    6   0.002753  -0.062994  -0.172005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/254/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043633   0.075528   0.039421
+    0SOL     H3    3  -0.056984  -0.025454  -0.072576
+    1SOL     O4    4  -0.196050   0.008598  -0.215099
+    1SOL     H5    5  -0.201011  -0.055397  -0.286108
+    1SOL     H6    6  -0.184436   0.092683  -0.259339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/255/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013389  -0.078633   0.052915
+    0SOL     H3    3  -0.070972  -0.001904  -0.064201
+    1SOL     O4    4  -0.004027  -0.191072   0.225022
+    1SOL     H5    5  -0.087294  -0.168496   0.266487
+    1SOL     H6    6   0.061499  -0.141700   0.274327
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/256/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075394   0.045210  -0.037870
+    0SOL     H3    3   0.004640   0.032303   0.089985
+    1SOL     O4    4   0.010494   0.150928   0.242203
+    1SOL     H5    5   0.091902   0.170559   0.288568
+    1SOL     H6    6  -0.012581   0.232887   0.198471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/257/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017962  -0.074455  -0.057412
+    0SOL     H3    3   0.065842  -0.006595   0.069164
+    1SOL     O4    4  -0.129630  -0.319832  -0.086963
+    1SOL     H5    5  -0.207743  -0.305807  -0.033447
+    1SOL     H6    6  -0.124941  -0.242580  -0.143288
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/258/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004110  -0.030573   0.090613
+    0SOL     H3    3   0.006680   0.095224   0.007081
+    1SOL     O4    4   0.091488   0.077873  -0.275332
+    1SOL     H5    5  -0.004152   0.079393  -0.271726
+    1SOL     H6    6   0.119145   0.091968  -0.184785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/259/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084933  -0.027786  -0.034303
+    0SOL     H3    3  -0.001366   0.095456  -0.006970
+    1SOL     O4    4   0.039554   0.280059  -0.017056
+    1SOL     H5    5  -0.038001   0.319491  -0.056964
+    1SOL     H6    6   0.035705   0.307084   0.074689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/260/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079990  -0.015860   0.050124
+    0SOL     H3    3   0.019089   0.092750   0.013981
+    1SOL     O4    4  -0.120450   0.136820  -0.289531
+    1SOL     H5    5  -0.024931   0.143016  -0.289606
+    1SOL     H6    6  -0.150314   0.226626  -0.275204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/261/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095302  -0.008799  -0.001561
+    0SOL     H3    3  -0.024537   0.011597  -0.091792
+    1SOL     O4    4  -0.136428   0.049362  -0.211770
+    1SOL     H5    5  -0.210746   0.017355  -0.160636
+    1SOL     H6    6  -0.122367  -0.017928  -0.278379
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/262/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060906   0.073829   0.001424
+    0SOL     H3    3   0.010893  -0.041750   0.085444
+    1SOL     O4    4  -0.112142   0.165673  -0.283567
+    1SOL     H5    5  -0.113576   0.206774  -0.197132
+    1SOL     H6    6  -0.035631   0.203527  -0.326875
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/263/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066620  -0.010208   0.067969
+    0SOL     H3    3   0.008127  -0.087077  -0.038909
+    1SOL     O4    4   0.316709   0.117123  -0.072260
+    1SOL     H5    5   0.328464   0.187976  -0.135537
+    1SOL     H6    6   0.241775   0.144412  -0.019321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/264/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049124   0.040814  -0.071297
+    0SOL     H3    3   0.002969  -0.093693  -0.019370
+    1SOL     O4    4   0.290149  -0.141860  -0.109077
+    1SOL     H5    5   0.370526  -0.145437  -0.160934
+    1SOL     H6    6   0.292769  -0.056105  -0.066632
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/265/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007850   0.090062  -0.031456
+    0SOL     H3    3  -0.002259  -0.053431  -0.079387
+    1SOL     O4    4   0.009481   0.149682  -0.269207
+    1SOL     H5    5   0.095934   0.116977  -0.294077
+    1SOL     H6    6   0.022723   0.243224  -0.253817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/266/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003331  -0.058223   0.075903
+    0SOL     H3    3   0.012285   0.087314   0.037251
+    1SOL     O4    4   0.012110   0.258532  -0.013254
+    1SOL     H5    5   0.093995   0.300153  -0.040178
+    1SOL     H6    6  -0.000795   0.287212   0.077151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/267/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028756   0.079948   0.044089
+    0SOL     H3    3   0.011428  -0.063577   0.070637
+    1SOL     O4    4  -0.315412   0.128206   0.055161
+    1SOL     H5    5  -0.237355   0.162112   0.011346
+    1SOL     H6    6  -0.305032   0.033089   0.052476
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/268/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001358   0.095690  -0.001989
+    0SOL     H3    3  -0.021359  -0.026171  -0.089561
+    1SOL     O4    4  -0.176663  -0.215922   0.134447
+    1SOL     H5    5  -0.168999  -0.133416   0.086527
+    1SOL     H6    6  -0.137467  -0.197791   0.219871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/269/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082203  -0.014087  -0.046973
+    0SOL     H3    3   0.023091   0.059250   0.071544
+    1SOL     O4    4   0.013453   0.186359   0.224532
+    1SOL     H5    5   0.077763   0.136424   0.274861
+    1SOL     H6    6   0.031076   0.277717   0.247013
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/270/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007558  -0.046681  -0.083223
+    0SOL     H3    3  -0.007703   0.092136  -0.024778
+    1SOL     O4    4   0.302928  -0.034137  -0.120055
+    1SOL     H5    5   0.212949  -0.018437  -0.148683
+    1SOL     H6    6   0.307592   0.005187  -0.032910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/271/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005337   0.000477  -0.095570
+    0SOL     H3    3  -0.052321  -0.077428   0.020729
+    1SOL     O4    4   0.116576   0.105856  -0.238380
+    1SOL     H5    5   0.024295   0.119673  -0.217037
+    1SOL     H6    6   0.164167   0.159427  -0.174916
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/272/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079954  -0.038703  -0.035663
+    0SOL     H3    3   0.070964  -0.049322  -0.041156
+    1SOL     O4    4  -0.262359  -0.016487   0.141753
+    1SOL     H5    5  -0.343521   0.024380   0.171837
+    1SOL     H6    6  -0.192912   0.034682   0.183241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/273/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021041  -0.086706  -0.034664
+    0SOL     H3    3   0.091667  -0.006462   0.026791
+    1SOL     O4    4  -0.177239  -0.198563  -0.086676
+    1SOL     H5    5  -0.257444  -0.169794  -0.043065
+    1SOL     H6    6  -0.182059  -0.294149  -0.085160
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/274/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008674   0.052755   0.079398
+    0SOL     H3    3   0.052839   0.053832  -0.058928
+    1SOL     O4    4   0.148918   0.170861  -0.152080
+    1SOL     H5    5   0.242985   0.158511  -0.139379
+    1SOL     H6    6   0.128255   0.250234  -0.102730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/275/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065381  -0.038574  -0.058307
+    0SOL     H3    3   0.019293  -0.037582   0.085894
+    1SOL     O4    4   0.033112  -0.168908   0.219619
+    1SOL     H5    5   0.010409  -0.241848   0.161942
+    1SOL     H6    6   0.016548  -0.202048   0.307878
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/276/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068508  -0.043330   0.050906
+    0SOL     H3    3  -0.044749   0.031502  -0.078533
+    1SOL     O4    4  -0.174455   0.223365   0.121283
+    1SOL     H5    5  -0.156579   0.178452   0.203899
+    1SOL     H6    6  -0.090005   0.225312   0.076263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/277/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004000  -0.039292   0.087192
+    0SOL     H3    3  -0.068247  -0.045030  -0.049769
+    1SOL     O4    4  -0.295741   0.114249  -0.058359
+    1SOL     H5    5  -0.219917   0.110422  -0.116656
+    1SOL     H6    6  -0.277295   0.187672   0.000216
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/278/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092515  -0.005493   0.023939
+    0SOL     H3    3   0.014141   0.092515  -0.020083
+    1SOL     O4    4   0.042612  -0.185569  -0.209060
+    1SOL     H5    5   0.045023  -0.275707  -0.176942
+    1SOL     H6    6   0.025237  -0.132780  -0.131126
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/279/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035506   0.040313   0.079224
+    0SOL     H3    3  -0.074613   0.055119  -0.023604
+    1SOL     O4    4   0.004435   0.216878   0.189644
+    1SOL     H5    5   0.013866   0.267267   0.108808
+    1SOL     H6    6  -0.055195   0.268879   0.243519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/280/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077797   0.054120   0.013451
+    0SOL     H3    3  -0.035160   0.029016  -0.084167
+    1SOL     O4    4   0.168304   0.190722   0.116455
+    1SOL     H5    5   0.258699   0.174792   0.143607
+    1SOL     H6    6   0.118174   0.189430   0.197988
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/281/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002951  -0.095025  -0.011133
+    0SOL     H3    3   0.028799   0.012689   0.090399
+    1SOL     O4    4   0.127707   0.018905   0.291699
+    1SOL     H5    5   0.054348  -0.042575   0.290728
+    1SOL     H6    6   0.086578   0.105339   0.292003
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/282/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095547   0.005383   0.002049
+    0SOL     H3    3  -0.029305   0.072309   0.055452
+    1SOL     O4    4  -0.189431   0.143399   0.156743
+    1SOL     H5    5  -0.210525   0.235674   0.170985
+    1SOL     H6    6  -0.200485   0.102715   0.242678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/283/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055145  -0.075279   0.021318
+    0SOL     H3    3  -0.025756   0.067242   0.063067
+    1SOL     O4    4  -0.141776   0.083366  -0.214732
+    1SOL     H5    5  -0.190281   0.159374  -0.182603
+    1SOL     H6    6  -0.100913   0.046180  -0.136568
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/284/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042362   0.023289  -0.082616
+    0SOL     H3    3  -0.044429  -0.082783  -0.018313
+    1SOL     O4    4   0.130865   0.132438  -0.194028
+    1SOL     H5    5   0.225533   0.146585  -0.193628
+    1SOL     H6    6   0.108995   0.119023  -0.286245
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/285/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010165  -0.015374  -0.093929
+    0SOL     H3    3  -0.027402   0.091482   0.006517
+    1SOL     O4    4   0.108165   0.209591   0.283099
+    1SOL     H5    5   0.161310   0.259464   0.345152
+    1SOL     H6    6   0.163411   0.201381   0.205363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/286/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052932  -0.046590  -0.064730
+    0SOL     H3    3   0.001982   0.091320  -0.028619
+    1SOL     O4    4   0.130928  -0.180192  -0.145919
+    1SOL     H5    5   0.140637  -0.138052  -0.231314
+    1SOL     H6    6   0.166085  -0.268326  -0.158513
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017266   0.006571   0.093920
+    0SOL     H3    3  -0.002601  -0.094090  -0.017397
+    1SOL     O4    4  -0.317377  -0.098360  -0.077682
+    1SOL     H5    5  -0.330785  -0.148413   0.002799
+    1SOL     H6    6  -0.314466  -0.007091  -0.048979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/288/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063887  -0.035966   0.061541
+    0SOL     H3    3  -0.008594   0.094888   0.009205
+    1SOL     O4    4  -0.016728  -0.167980  -0.242727
+    1SOL     H5    5  -0.099774  -0.161262  -0.289850
+    1SOL     H6    6  -0.016018  -0.092080  -0.184410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/289/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070519  -0.021550  -0.061033
+    0SOL     H3    3   0.008099   0.094392   0.013668
+    1SOL     O4    4  -0.291673   0.119883  -0.027169
+    1SOL     H5    5  -0.203227   0.119713  -0.063769
+    1SOL     H6    6  -0.287042   0.059632   0.047065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/290/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068640   0.038249   0.054662
+    0SOL     H3    3  -0.006342   0.047212  -0.083025
+    1SOL     O4    4  -0.018717   0.187694  -0.243876
+    1SOL     H5    5  -0.099623   0.191807  -0.294864
+    1SOL     H6    6   0.051085   0.192390  -0.309205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/291/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029365   0.003608  -0.091033
+    0SOL     H3    3   0.046378  -0.075006   0.037222
+    1SOL     O4    4   0.140626  -0.218213   0.141659
+    1SOL     H5    5   0.156681  -0.307094   0.109963
+    1SOL     H6    6   0.222692  -0.192541   0.183713
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/292/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037345   0.082357   0.031385
+    0SOL     H3    3  -0.033839  -0.066208   0.060280
+    1SOL     O4    4   0.106344  -0.309773   0.103675
+    1SOL     H5    5   0.125841  -0.387371   0.156217
+    1SOL     H6    6   0.116384  -0.236501   0.164442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/293/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077790  -0.002774  -0.055708
+    0SOL     H3    3   0.019640   0.067159   0.065316
+    1SOL     O4    4  -0.146579   0.268576  -0.038776
+    1SOL     H5    5  -0.191114   0.289385  -0.120909
+    1SOL     H6    6  -0.188907   0.324544   0.026325
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/294/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062731  -0.070405  -0.016437
+    0SOL     H3    3   0.027218  -0.012838   0.090866
+    1SOL     O4    4   0.036676   0.284918  -0.038989
+    1SOL     H5    5   0.032158   0.189916  -0.028191
+    1SOL     H6    6   0.027998   0.319603   0.049803
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/295/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013595   0.057954   0.074959
+    0SOL     H3    3   0.065319   0.027986  -0.064129
+    1SOL     O4    4  -0.295226  -0.188334  -0.079338
+    1SOL     H5    5  -0.316188  -0.233033   0.002668
+    1SOL     H6    6  -0.379733  -0.177225  -0.122897
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/296/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053599  -0.052788  -0.059186
+    0SOL     H3    3  -0.032176   0.089379  -0.011766
+    1SOL     O4    4   0.180020   0.333251  -0.094826
+    1SOL     H5    5   0.267524   0.359216  -0.065994
+    1SOL     H6    6   0.135669   0.305310  -0.014734
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/297/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031305   0.012636  -0.089569
+    0SOL     H3    3   0.050579  -0.074336   0.032838
+    1SOL     O4    4  -0.084336   0.138769   0.292781
+    1SOL     H5    5  -0.094500   0.045137   0.275688
+    1SOL     H6    6  -0.118222   0.181356   0.214039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/298/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094258   0.002036  -0.016540
+    0SOL     H3    3  -0.038111   0.050055  -0.072142
+    1SOL     O4    4  -0.167935  -0.190058  -0.176812
+    1SOL     H5    5  -0.080859  -0.169774  -0.142627
+    1SOL     H6    6  -0.227268  -0.135362  -0.125331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/299/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021392  -0.041519   0.083552
+    0SOL     H3    3   0.000457   0.093769   0.019220
+    1SOL     O4    4  -0.021877   0.202329   0.230931
+    1SOL     H5    5  -0.102693   0.165162   0.266283
+    1SOL     H6    6  -0.033562   0.297008   0.238778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/300/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017673   0.093933   0.005157
+    0SOL     H3    3  -0.010038  -0.027569   0.091113
+    1SOL     O4    4  -0.002974  -0.176120   0.200521
+    1SOL     H5    5  -0.079104  -0.166914   0.257808
+    1SOL     H6    6  -0.028302  -0.243678   0.137619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/301/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000860   0.019219   0.093767
+    0SOL     H3    3  -0.020280  -0.093383  -0.005544
+    1SOL     O4    4  -0.238324  -0.169772  -0.218432
+    1SOL     H5    5  -0.144738  -0.158417  -0.235018
+    1SOL     H6    6  -0.277888  -0.173213  -0.305525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/302/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086530   0.037557   0.016259
+    0SOL     H3    3  -0.022308   0.028582  -0.088587
+    1SOL     O4    4  -0.120345  -0.148805  -0.250155
+    1SOL     H5    5  -0.203276  -0.164529  -0.295296
+    1SOL     H6    6  -0.109427  -0.053738  -0.252440
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/303/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006562  -0.065495  -0.069496
+    0SOL     H3    3  -0.062547  -0.037183   0.062191
+    1SOL     O4    4   0.021464  -0.162865  -0.211031
+    1SOL     H5    5   0.104077  -0.130757  -0.247178
+    1SOL     H6    6   0.023669  -0.257326  -0.226348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/304/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070599  -0.025904  -0.059220
+    0SOL     H3    3   0.073597  -0.056131  -0.024396
+    1SOL     O4    4  -0.048228  -0.164885   0.202597
+    1SOL     H5    5   0.002663  -0.167743   0.283617
+    1SOL     H6    6  -0.013892  -0.089048   0.155352
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/305/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018805  -0.043762   0.083028
+    0SOL     H3    3   0.094358  -0.010755  -0.011965
+    1SOL     O4    4  -0.180184  -0.063130   0.198423
+    1SOL     H5    5  -0.170225  -0.144590   0.247692
+    1SOL     H6    6  -0.253549  -0.079708   0.139219
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/306/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066186   0.055407  -0.041373
+    0SOL     H3    3   0.038231   0.055168   0.068243
+    1SOL     O4    4  -0.043181  -0.279149   0.048111
+    1SOL     H5    5  -0.062303  -0.321369  -0.035640
+    1SOL     H6    6  -0.014511  -0.190924   0.024518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/307/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009425  -0.047537   0.082545
+    0SOL     H3    3   0.047755   0.081797   0.013824
+    1SOL     O4    4  -0.012353   0.110073  -0.296745
+    1SOL     H5    5   0.077973   0.141521  -0.300545
+    1SOL     H6    6  -0.056010   0.169761  -0.235968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/308/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087975   0.022568  -0.030222
+    0SOL     H3    3  -0.009865  -0.092658  -0.021896
+    1SOL     O4    4  -0.039166   0.066870   0.240552
+    1SOL     H5    5  -0.012424   0.040723   0.152441
+    1SOL     H6    6   0.043095   0.079601   0.287812
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/309/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003357  -0.043323  -0.085289
+    0SOL     H3    3   0.020076   0.091370  -0.020268
+    1SOL     O4    4   0.268232   0.153041   0.065545
+    1SOL     H5    5   0.278436   0.225641   0.004002
+    1SOL     H6    6   0.293447   0.075437   0.015505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/310/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073059   0.033385  -0.052059
+    0SOL     H3    3  -0.005580   0.047908   0.082680
+    1SOL     O4    4   0.148260  -0.129422   0.250115
+    1SOL     H5    5   0.156131  -0.086629   0.335374
+    1SOL     H6    6   0.198896  -0.210162   0.259022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/311/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009966  -0.065531   0.069056
+    0SOL     H3    3   0.077596  -0.011047  -0.054947
+    1SOL     O4    4  -0.001483  -0.188484   0.205963
+    1SOL     H5    5  -0.076902  -0.188113   0.264904
+    1SOL     H6    6  -0.018808  -0.260449   0.145273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/312/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059504   0.030605  -0.068447
+    0SOL     H3    3   0.002064  -0.095418  -0.007309
+    1SOL     O4    4  -0.315319   0.050520   0.118076
+    1SOL     H5    5  -0.340034   0.017732   0.031610
+    1SOL     H6    6  -0.249957  -0.011888   0.149625
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/313/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093687  -0.016375   0.010811
+    0SOL     H3    3   0.039155  -0.029443   0.082234
+    1SOL     O4    4  -0.008569   0.266791   0.022946
+    1SOL     H5    5  -0.084349   0.287427   0.077662
+    1SOL     H6    6  -0.014255   0.172304   0.008723
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/314/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071134   0.012903   0.062736
+    0SOL     H3    3  -0.079701   0.016635   0.050332
+    1SOL     O4    4   0.020403  -0.170072  -0.235167
+    1SOL     H5    5  -0.003082  -0.259687  -0.211088
+    1SOL     H6    6   0.032225  -0.125061  -0.151522
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/315/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052033   0.071313   0.037006
+    0SOL     H3    3  -0.012154   0.008013  -0.094607
+    1SOL     O4    4  -0.118120   0.070075  -0.262485
+    1SOL     H5    5  -0.205753   0.031687  -0.259489
+    1SOL     H6    6  -0.061611  -0.001376  -0.291874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/316/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001043  -0.080994   0.051002
+    0SOL     H3    3   0.092915   0.019896  -0.011545
+    1SOL     O4    4  -0.184715   0.172473   0.100593
+    1SOL     H5    5  -0.109543   0.132513   0.056836
+    1SOL     H6    6  -0.159110   0.263768   0.113705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/317/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077102   0.020211   0.053002
+    0SOL     H3    3   0.007619  -0.095329   0.004092
+    1SOL     O4    4  -0.045243  -0.249933   0.049595
+    1SOL     H5    5  -0.121196  -0.301011   0.077602
+    1SOL     H6    6   0.030191  -0.301841   0.077478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/318/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047389  -0.072690  -0.040408
+    0SOL     H3    3  -0.089839  -0.009354  -0.031682
+    1SOL     O4    4  -0.109804  -0.287439  -0.059143
+    1SOL     H5    5  -0.035785  -0.297618   0.000689
+    1SOL     H6    6  -0.186748  -0.286624  -0.002210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/319/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033948   0.068950  -0.057058
+    0SOL     H3    3  -0.001891  -0.078976  -0.054051
+    1SOL     O4    4  -0.212629   0.025916   0.195946
+    1SOL     H5    5  -0.208661  -0.052976   0.250008
+    1SOL     H6    6  -0.145949   0.012266   0.128642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/320/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047010   0.055861   0.061903
+    0SOL     H3    3  -0.092263   0.021708   0.013367
+    1SOL     O4    4  -0.118856   0.152451   0.288022
+    1SOL     H5    5  -0.201335   0.184936   0.324138
+    1SOL     H6    6  -0.052709   0.178361   0.352175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/321/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019293   0.093359   0.008610
+    0SOL     H3    3   0.075287  -0.035827  -0.047016
+    1SOL     O4    4   0.026779   0.274508  -0.128807
+    1SOL     H5    5   0.120511   0.268100  -0.147125
+    1SOL     H6    6  -0.013060   0.206886  -0.183600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/322/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029331  -0.015380  -0.089808
+    0SOL     H3    3   0.045690  -0.066234   0.051844
+    1SOL     O4    4   0.121828  -0.166970   0.166250
+    1SOL     H5    5   0.118500  -0.200660   0.255784
+    1SOL     H6    6   0.193459  -0.215298   0.125071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/323/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087007  -0.024291  -0.031656
+    0SOL     H3    3  -0.052286   0.010821  -0.079444
+    1SOL     O4    4  -0.158394  -0.314139  -0.045867
+    1SOL     H5    5  -0.195704  -0.226434  -0.037037
+    1SOL     H6    6  -0.064884  -0.299151  -0.059778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/324/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014286   0.053817  -0.077859
+    0SOL     H3    3   0.087315   0.024641   0.030516
+    1SOL     O4    4   0.321199   0.044995  -0.193850
+    1SOL     H5    5   0.301715   0.137422  -0.178360
+    1SOL     H6    6   0.365062   0.015983  -0.113871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/325/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023017  -0.092413  -0.009608
+    0SOL     H3    3   0.074221   0.012519  -0.059134
+    1SOL     O4    4  -0.017660  -0.264386  -0.003512
+    1SOL     H5    5   0.010175  -0.310988   0.075328
+    1SOL     H6    6  -0.095084  -0.312031  -0.033476
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/326/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095609  -0.001565  -0.004331
+    0SOL     H3    3  -0.027928  -0.067669  -0.061670
+    1SOL     O4    4  -0.165590  -0.149962  -0.188805
+    1SOL     H5    5  -0.132500  -0.097048  -0.261382
+    1SOL     H6    6  -0.236165  -0.201963  -0.227244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/327/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032113  -0.002167  -0.090146
+    0SOL     H3    3   0.093141   0.020492  -0.008190
+    1SOL     O4    4   0.072817  -0.191890  -0.214082
+    1SOL     H5    5   0.022511  -0.254112  -0.266618
+    1SOL     H6    6   0.068904  -0.110038  -0.263552
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/328/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015835  -0.078575   0.052321
+    0SOL     H3    3   0.037621   0.071238   0.051693
+    1SOL     O4    4   0.140091  -0.046786  -0.235259
+    1SOL     H5    5   0.191125  -0.036118  -0.154984
+    1SOL     H6    6   0.048917  -0.041137  -0.206663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/329/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030697   0.040059  -0.081335
+    0SOL     H3    3   0.067164  -0.064637   0.021757
+    1SOL     O4    4   0.001614  -0.231645  -0.178910
+    1SOL     H5    5   0.094394  -0.254148  -0.171989
+    1SOL     H6    6   0.001123  -0.139062  -0.203209
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/330/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047664   0.031146   0.076944
+    0SOL     H3    3  -0.058988   0.017257  -0.073382
+    1SOL     O4    4  -0.190407   0.022374  -0.211888
+    1SOL     H5    5  -0.158992  -0.045333  -0.271814
+    1SOL     H6    6  -0.213494   0.095872  -0.268698
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/331/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089557   0.025261  -0.022443
+    0SOL     H3    3   0.001990  -0.094893  -0.012394
+    1SOL     O4    4   0.051949   0.176554   0.227455
+    1SOL     H5    5  -0.017820   0.151168   0.287871
+    1SOL     H6    6   0.054787   0.105845   0.162999
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/332/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048969  -0.058772  -0.057534
+    0SOL     H3    3  -0.091309  -0.026745  -0.010469
+    1SOL     O4    4   0.195342   0.219549   0.126659
+    1SOL     H5    5   0.267843   0.225648   0.188858
+    1SOL     H6    6   0.226942   0.264800   0.048454
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062660   0.069595  -0.019815
+    0SOL     H3    3   0.085587   0.042527  -0.005350
+    1SOL     O4    4  -0.314125  -0.022938  -0.163663
+    1SOL     H5    5  -0.266171  -0.105001  -0.152332
+    1SOL     H6    6  -0.405326  -0.049779  -0.174808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/334/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058580  -0.074876   0.011150
+    0SOL     H3    3   0.036563   0.067755   0.056875
+    1SOL     O4    4   0.210975  -0.125549   0.125856
+    1SOL     H5    5   0.280408  -0.084520   0.074301
+    1SOL     H6    6   0.233533  -0.218569   0.126766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/335/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087161   0.025375  -0.030353
+    0SOL     H3    3   0.005742  -0.094654   0.013038
+    1SOL     O4    4  -0.006373  -0.276205  -0.015831
+    1SOL     H5    5   0.022413  -0.323191   0.062438
+    1SOL     H6    6   0.060891  -0.295098  -0.081260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/336/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025938  -0.090877   0.015197
+    0SOL     H3    3   0.043370   0.023961  -0.081897
+    1SOL     O4    4   0.075238  -0.272599   0.029785
+    1SOL     H5    5   0.011661  -0.334775   0.065204
+    1SOL     H6    6   0.104292  -0.312173  -0.052386
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/337/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022780  -0.071949   0.058879
+    0SOL     H3    3   0.013190   0.078998   0.052417
+    1SOL     O4    4   0.187420  -0.053482  -0.205527
+    1SOL     H5    5   0.104308  -0.028804  -0.164959
+    1SOL     H6    6   0.244455  -0.075535  -0.131887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/338/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094634   0.014237   0.002024
+    0SOL     H3    3   0.029252   0.020463   0.088814
+    1SOL     O4    4   0.041293   0.305687   0.151835
+    1SOL     H5    5   0.015548   0.218540   0.181917
+    1SOL     H6    6   0.136948   0.302999   0.149549
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/339/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035532  -0.004361  -0.088774
+    0SOL     H3    3  -0.094843   0.004020  -0.012283
+    1SOL     O4    4  -0.017489  -0.282093  -0.113877
+    1SOL     H5    5  -0.035893  -0.207489  -0.170955
+    1SOL     H6    6   0.074390  -0.271386  -0.089263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/340/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028788  -0.067030  -0.061972
+    0SOL     H3    3   0.063104   0.071186  -0.010615
+    1SOL     O4    4   0.114999  -0.286934  -0.106970
+    1SOL     H5    5   0.164641  -0.291492  -0.025256
+    1SOL     H6    6   0.026856  -0.315661  -0.083136
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/341/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046309  -0.032587  -0.077174
+    0SOL     H3    3  -0.008357  -0.076426   0.057023
+    1SOL     O4    4   0.139657   0.067407  -0.290815
+    1SOL     H5    5   0.177582   0.146551  -0.329028
+    1SOL     H6    6   0.175214  -0.004121  -0.343556
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/342/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080081   0.005694   0.052124
+    0SOL     H3    3  -0.012476   0.063849  -0.070214
+    1SOL     O4    4  -0.039359  -0.127171  -0.243199
+    1SOL     H5    5   0.034073  -0.074996  -0.275568
+    1SOL     H6    6  -0.057244  -0.091939  -0.156015
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/343/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074191  -0.055829  -0.023264
+    0SOL     H3    3  -0.076610  -0.046855  -0.033133
+    1SOL     O4    4   0.286978  -0.037881   0.140586
+    1SOL     H5    5   0.370031  -0.009275   0.178618
+    1SOL     H6    6   0.275284   0.017956   0.063724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/344/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007495   0.056244  -0.077089
+    0SOL     H3    3   0.088085  -0.037014  -0.005771
+    1SOL     O4    4   0.117914   0.291768  -0.043602
+    1SOL     H5    5   0.050618   0.291090   0.024465
+    1SOL     H6    6   0.108764   0.207066  -0.087239
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/345/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033771   0.089429   0.004935
+    0SOL     H3    3   0.041455  -0.037041  -0.077922
+    1SOL     O4    4  -0.266315   0.003072  -0.035784
+    1SOL     H5    5  -0.171054   0.001995  -0.026486
+    1SOL     H6    6  -0.297628   0.047337   0.043099
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/346/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054336   0.049416  -0.061384
+    0SOL     H3    3  -0.005831   0.056044   0.077378
+    1SOL     O4    4  -0.213756   0.165586  -0.144757
+    1SOL     H5    5  -0.193413   0.091195  -0.088060
+    1SOL     H6    6  -0.303898   0.150242  -0.173064
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/347/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036575  -0.002591  -0.088419
+    0SOL     H3    3   0.090165  -0.030395  -0.010426
+    1SOL     O4    4  -0.220941   0.004789  -0.197931
+    1SOL     H5    5  -0.220747  -0.072620  -0.254234
+    1SOL     H6    6  -0.221164   0.078702  -0.258752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/348/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059845  -0.016870   0.072776
+    0SOL     H3    3   0.023233  -0.065473  -0.065847
+    1SOL     O4    4  -0.038766   0.261431   0.020757
+    1SOL     H5    5  -0.110159   0.262645   0.084507
+    1SOL     H6    6  -0.034709   0.170545  -0.009003
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/349/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027219  -0.065078  -0.064702
+    0SOL     H3    3  -0.075079   0.008239   0.058801
+    1SOL     O4    4   0.125229   0.151779  -0.319763
+    1SOL     H5    5   0.179895   0.147948  -0.241281
+    1SOL     H6    6   0.035459   0.149719  -0.286606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/350/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043230  -0.070357  -0.048409
+    0SOL     H3    3   0.047462  -0.044723   0.070068
+    1SOL     O4    4   0.129973  -0.089624   0.244348
+    1SOL     H5    5   0.108220  -0.006568   0.286666
+    1SOL     H6    6   0.083308  -0.155625   0.295617
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/351/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048775  -0.051016  -0.064658
+    0SOL     H3    3   0.014091  -0.060618   0.072727
+    1SOL     O4    4  -0.002726  -0.171203   0.215692
+    1SOL     H5    5   0.072642  -0.133207   0.260838
+    1SOL     H6    6  -0.077589  -0.148893   0.271010
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/352/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056233  -0.002288  -0.077427
+    0SOL     H3    3  -0.026451  -0.076468   0.051139
+    1SOL     O4    4  -0.085821  -0.168543   0.201043
+    1SOL     H5    5  -0.091507  -0.104020   0.271518
+    1SOL     H6    6  -0.173232  -0.169249   0.162042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/353/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088474  -0.031453  -0.018582
+    0SOL     H3    3   0.013164   0.080034   0.050829
+    1SOL     O4    4   0.110403   0.218437  -0.218419
+    1SOL     H5    5   0.049744   0.231027  -0.291386
+    1SOL     H6    6   0.133292   0.125562  -0.221990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/354/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094269  -0.008658   0.014167
+    0SOL     H3    3   0.021764   0.086239   0.035376
+    1SOL     O4    4   0.190009   0.175762   0.196168
+    1SOL     H5    5   0.213015   0.143953   0.283469
+    1SOL     H6    6   0.202900   0.270488   0.200972
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/355/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015348  -0.035544   0.087541
+    0SOL     H3    3   0.070477  -0.053977  -0.035801
+    1SOL     O4    4  -0.076419  -0.155609   0.197517
+    1SOL     H5    5  -0.167047  -0.127258   0.209559
+    1SOL     H6    6  -0.039599  -0.156459   0.285868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/356/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075756   0.013400   0.056955
+    0SOL     H3    3   0.051587  -0.067464   0.044156
+    1SOL     O4    4  -0.203484   0.112071   0.114637
+    1SOL     H5    5  -0.189995   0.162251   0.195026
+    1SOL     H6    6  -0.286976   0.143832   0.080246
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/357/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010569  -0.006925   0.094882
+    0SOL     H3    3   0.094075  -0.010139  -0.014472
+    1SOL     O4    4  -0.080413  -0.171146  -0.215609
+    1SOL     H5    5  -0.072499  -0.120207  -0.134956
+    1SOL     H6    6  -0.149843  -0.127415  -0.264898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/358/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006886  -0.047389   0.082881
+    0SOL     H3    3  -0.082242  -0.018723  -0.045255
+    1SOL     O4    4   0.213691  -0.053609  -0.142523
+    1SOL     H5    5   0.189765  -0.145119  -0.127836
+    1SOL     H6    6   0.143366  -0.003492  -0.101231
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044552  -0.084686  -0.002379
+    0SOL     H3    3  -0.069137   0.062920   0.020578
+    1SOL     O4    4  -0.060075   0.248408  -0.341173
+    1SOL     H5    5  -0.143545   0.269910  -0.299548
+    1SOL     H6    6  -0.081351   0.178354  -0.402835
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005395   0.095565  -0.000787
+    0SOL     H3    3  -0.092408  -0.018685   0.016550
+    1SOL     O4    4   0.161538  -0.030421   0.210986
+    1SOL     H5    5   0.085816  -0.022108   0.153025
+    1SOL     H6    6   0.158577   0.048037   0.265739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/361/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051332   0.078524  -0.019009
+    0SOL     H3    3   0.018178  -0.018850   0.092068
+    1SOL     O4    4   0.263176  -0.091050  -0.110170
+    1SOL     H5    5   0.260047  -0.022032  -0.043920
+    1SOL     H6    6   0.235639  -0.170117  -0.063776
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/362/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058028  -0.067391   0.035405
+    0SOL     H3    3  -0.064076   0.015387   0.069425
+    1SOL     O4    4  -0.227097  -0.022679   0.191878
+    1SOL     H5    5  -0.240451   0.020296   0.276359
+    1SOL     H6    6  -0.234504  -0.116163   0.211070
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/363/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041768   0.070725  -0.049150
+    0SOL     H3    3  -0.043837  -0.052906  -0.066645
+    1SOL     O4    4   0.262104  -0.061025   0.006109
+    1SOL     H5    5   0.310063  -0.030189   0.082995
+    1SOL     H6    6   0.171988  -0.032371   0.020951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/364/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035835   0.037768  -0.080323
+    0SOL     H3    3  -0.068567   0.013314   0.065449
+    1SOL     O4    4  -0.028264  -0.286604   0.010049
+    1SOL     H5    5  -0.053169  -0.333102  -0.069826
+    1SOL     H6    6  -0.014844  -0.196095  -0.018064
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081847   0.010673  -0.048472
+    0SOL     H3    3   0.068568   0.013944  -0.065317
+    1SOL     O4    4   0.078320   0.211299   0.189941
+    1SOL     H5    5   0.014558   0.170004   0.131704
+    1SOL     H6    6   0.045744   0.300522   0.201786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/366/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077258  -0.044084  -0.035357
+    0SOL     H3    3  -0.011863  -0.003236   0.094927
+    1SOL     O4    4   0.015682  -0.056723   0.257063
+    1SOL     H5    5  -0.003966  -0.111012   0.333411
+    1SOL     H6    6   0.060748   0.019727   0.292934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/367/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041646  -0.011743   0.085382
+    0SOL     H3    3  -0.022316   0.093026  -0.003225
+    1SOL     O4    4  -0.298400   0.013508  -0.092150
+    1SOL     H5    5  -0.294295  -0.080869  -0.107596
+    1SOL     H6    6  -0.288620   0.022763   0.002618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/368/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084934   0.039895   0.018890
+    0SOL     H3    3   0.059948   0.040312   0.062797
+    1SOL     O4    4  -0.251110   0.042525  -0.150948
+    1SOL     H5    5  -0.222237  -0.037023  -0.195678
+    1SOL     H6    6  -0.327371   0.071784  -0.200852
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/369/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011632  -0.009450   0.094539
+    0SOL     H3    3   0.019395   0.092880  -0.012628
+    1SOL     O4    4   0.122452   0.205069  -0.153189
+    1SOL     H5    5   0.127222   0.165914  -0.240403
+    1SOL     H6    6   0.147384   0.296515  -0.166540
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/370/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045361  -0.076421   0.035560
+    0SOL     H3    3  -0.092286  -0.025369  -0.001399
+    1SOL     O4    4   0.154285   0.015753  -0.218153
+    1SOL     H5    5   0.130659  -0.076398  -0.228752
+    1SOL     H6    6   0.108978   0.043124  -0.138400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/371/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017197  -0.083964   0.042621
+    0SOL     H3    3   0.060186  -0.021187  -0.071352
+    1SOL     O4    4   0.299634  -0.113260   0.075973
+    1SOL     H5    5   0.335009  -0.033550   0.036511
+    1SOL     H6    6   0.273332  -0.086771   0.164114
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/372/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091628   0.004300   0.027351
+    0SOL     H3    3   0.014052  -0.091982  -0.022451
+    1SOL     O4    4  -0.000588  -0.239051   0.197808
+    1SOL     H5    5   0.090398  -0.224935   0.223973
+    1SOL     H6    6  -0.048770  -0.167218   0.238807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/373/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055563  -0.028661  -0.072482
+    0SOL     H3    3   0.057053  -0.003423   0.076782
+    1SOL     O4    4   0.299207   0.074915  -0.093961
+    1SOL     H5    5   0.334008   0.134520  -0.160282
+    1SOL     H6    6   0.312079   0.121065  -0.011095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/374/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050336  -0.064030   0.050287
+    0SOL     H3    3   0.088810  -0.006341   0.035141
+    1SOL     O4    4  -0.150117  -0.160518   0.166752
+    1SOL     H5    5  -0.149940  -0.226810   0.097704
+    1SOL     H6    6  -0.241189  -0.131514   0.171941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/375/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079235   0.052152  -0.012820
+    0SOL     H3    3   0.028286  -0.073722   0.054105
+    1SOL     O4    4  -0.147221   0.134851   0.184876
+    1SOL     H5    5  -0.180706   0.215035   0.144731
+    1SOL     H6    6  -0.083286   0.101411   0.121976
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/376/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065553  -0.064633  -0.026224
+    0SOL     H3    3   0.083828  -0.040324  -0.022566
+    1SOL     O4    4   0.093453   0.264618   0.043463
+    1SOL     H5    5   0.048466   0.277430   0.126975
+    1SOL     H6    6   0.076130   0.173288   0.020636
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/377/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010258   0.039122   0.086756
+    0SOL     H3    3  -0.019005   0.074036  -0.057617
+    1SOL     O4    4   0.065582  -0.149497  -0.323372
+    1SOL     H5    5   0.103320  -0.070070  -0.285564
+    1SOL     H6    6  -0.029020  -0.137217  -0.315502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/378/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092067   0.018292  -0.018746
+    0SOL     H3    3  -0.038866   0.086065   0.015639
+    1SOL     O4    4  -0.098762  -0.270629  -0.159996
+    1SOL     H5    5  -0.023577  -0.268771  -0.100784
+    1SOL     H6    6  -0.071947  -0.216884  -0.234526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/379/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005426  -0.023130  -0.092725
+    0SOL     H3    3   0.084845   0.043393   0.008984
+    1SOL     O4    4  -0.070442   0.004558  -0.297903
+    1SOL     H5    5  -0.082184  -0.046481  -0.378024
+    1SOL     H6    6   0.019171   0.037732  -0.303497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/380/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008814  -0.049751  -0.081298
+    0SOL     H3    3  -0.093694   0.018347   0.006871
+    1SOL     O4    4   0.173958   0.196806   0.090640
+    1SOL     H5    5   0.122275   0.146444   0.027753
+    1SOL     H6    6   0.264645   0.184232   0.062709
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/381/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095664  -0.000255   0.003267
+    0SOL     H3    3  -0.026802  -0.048799   0.077863
+    1SOL     O4    4  -0.218627   0.194177   0.117418
+    1SOL     H5    5  -0.287112   0.135784   0.084823
+    1SOL     H6    6  -0.138359   0.162497   0.075996
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/382/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015729   0.002259   0.094392
+    0SOL     H3    3   0.086088   0.015061  -0.039042
+    1SOL     O4    4  -0.165667   0.158739  -0.160167
+    1SOL     H5    5  -0.205413   0.209417  -0.089355
+    1SOL     H6    6  -0.122483   0.085602  -0.116026
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/383/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037582   0.067384   0.056651
+    0SOL     H3    3  -0.091939  -0.004836   0.026195
+    1SOL     O4    4   0.200860  -0.193429   0.149480
+    1SOL     H5    5   0.124842  -0.155302   0.105550
+    1SOL     H6    6   0.275225  -0.142454   0.117329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/384/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023158  -0.087218   0.031922
+    0SOL     H3    3  -0.087795  -0.010401  -0.036690
+    1SOL     O4    4  -0.117782   0.148756   0.216631
+    1SOL     H5    5  -0.119475   0.187998   0.129341
+    1SOL     H6    6  -0.076522   0.063351   0.203752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/385/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042038  -0.057047   0.064349
+    0SOL     H3    3   0.007709  -0.054077  -0.078604
+    1SOL     O4    4   0.014932  -0.182747  -0.210452
+    1SOL     H5    5  -0.059385  -0.149707  -0.260926
+    1SOL     H6    6  -0.023013  -0.248421  -0.152061
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/386/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085017   0.043199   0.008262
+    0SOL     H3    3  -0.018261   0.000732  -0.093959
+    1SOL     O4    4  -0.106720  -0.055421  -0.257138
+    1SOL     H5    5  -0.176763  -0.093370  -0.310206
+    1SOL     H6    6  -0.043477  -0.022389  -0.320945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/387/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042034  -0.001612  -0.085982
+    0SOL     H3    3   0.091188   0.022642  -0.018287
+    1SOL     O4    4  -0.191421  -0.007544  -0.197159
+    1SOL     H5    5  -0.213603  -0.033465  -0.286592
+    1SOL     H6    6  -0.241871   0.072401  -0.182131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/388/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036431   0.040250   0.078835
+    0SOL     H3    3   0.018497  -0.093383   0.009990
+    1SOL     O4    4   0.215134  -0.191836   0.199604
+    1SOL     H5    5   0.192748  -0.216871   0.109969
+    1SOL     H6    6   0.130719  -0.183121   0.243880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/389/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030532  -0.073616   0.053017
+    0SOL     H3    3  -0.054196   0.073793   0.027924
+    1SOL     O4    4   0.267209   0.051704   0.017509
+    1SOL     H5    5   0.345877   0.000736   0.036898
+    1SOL     H6    6   0.194775  -0.004788   0.044422
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/390/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000573   0.094267   0.016605
+    0SOL     H3    3  -0.092135  -0.021163  -0.015022
+    1SOL     O4    4   0.367500  -0.038667  -0.092523
+    1SOL     H5    5   0.316821  -0.104773  -0.045365
+    1SOL     H6    6   0.372962  -0.071996  -0.182086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/391/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078126  -0.001148  -0.055293
+    0SOL     H3    3  -0.005750   0.082642   0.047953
+    1SOL     O4    4  -0.172088  -0.082968  -0.236690
+    1SOL     H5    5  -0.266239  -0.065865  -0.239009
+    1SOL     H6    6  -0.152090  -0.118913  -0.323121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/392/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050683  -0.053885   0.060746
+    0SOL     H3    3   0.002638  -0.048121  -0.082703
+    1SOL     O4    4  -0.134642   0.111812   0.325465
+    1SOL     H5    5  -0.158556   0.032027   0.372633
+    1SOL     H6    6  -0.177228   0.102960   0.240199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/393/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093484   0.013869   0.015190
+    0SOL     H3    3   0.004017  -0.047892  -0.082780
+    1SOL     O4    4   0.067371   0.243153  -0.121551
+    1SOL     H5    5   0.001206   0.290899  -0.071503
+    1SOL     H6    6   0.058110   0.152265  -0.092986
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/394/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086538  -0.038570   0.013632
+    0SOL     H3    3  -0.015695   0.094419  -0.000996
+    1SOL     O4    4  -0.014510   0.259860  -0.060546
+    1SOL     H5    5  -0.091704   0.229162  -0.108097
+    1SOL     H6    6  -0.048898   0.292144   0.022746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/395/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039041  -0.037897  -0.078753
+    0SOL     H3    3  -0.060923  -0.022648   0.070269
+    1SOL     O4    4   0.272318   0.023369  -0.046096
+    1SOL     H5    5   0.180529   0.026488  -0.019127
+    1SOL     H6    6   0.282601   0.098173  -0.104926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/396/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087037   0.031722  -0.024094
+    0SOL     H3    3  -0.037331   0.070346   0.053105
+    1SOL     O4    4  -0.112419   0.166113   0.175250
+    1SOL     H5    5  -0.204254   0.145487   0.192662
+    1SOL     H6    6  -0.113253   0.257690   0.147405
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/397/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083464   0.046852  -0.000976
+    0SOL     H3    3   0.016729  -0.079875  -0.050025
+    1SOL     O4    4   0.158075  -0.184763  -0.165809
+    1SOL     H5    5   0.203398  -0.126385  -0.226638
+    1SOL     H6    6   0.106052  -0.242235  -0.221960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/398/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067141  -0.022979  -0.064236
+    0SOL     H3    3  -0.072969   0.033119  -0.052355
+    1SOL     O4    4  -0.109496   0.109823   0.217523
+    1SOL     H5    5  -0.055743   0.120970   0.295936
+    1SOL     H6    6  -0.055948   0.056078   0.159159
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/399/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077548   0.020590   0.052199
+    0SOL     H3    3  -0.007883  -0.095249   0.005273
+    1SOL     O4    4  -0.016871  -0.036810  -0.275895
+    1SOL     H5    5  -0.034086   0.050962  -0.309986
+    1SOL     H6    6  -0.006178  -0.024261  -0.181605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/400/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024630   0.067048  -0.063720
+    0SOL     H3    3  -0.091647   0.018715   0.020319
+    1SOL     O4    4   0.071141   0.234425  -0.091591
+    1SOL     H5    5   0.058114   0.280368  -0.174548
+    1SOL     H6    6   0.031171   0.291536  -0.025994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/401/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095460  -0.000257   0.007048
+    0SOL     H3    3   0.024577  -0.092442   0.003575
+    1SOL     O4    4  -0.273329   0.041079   0.016672
+    1SOL     H5    5  -0.317166   0.069872  -0.063400
+    1SOL     H6    6  -0.344711   0.020007   0.076863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/402/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012320  -0.065936  -0.068286
+    0SOL     H3    3  -0.091464  -0.009702   0.026507
+    1SOL     O4    4   0.098312  -0.213938   0.142970
+    1SOL     H5    5   0.062244  -0.133770   0.105094
+    1SOL     H6    6   0.085588  -0.203753   0.237292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/403/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074767  -0.051840   0.029748
+    0SOL     H3    3   0.036546   0.059399  -0.065563
+    1SOL     O4    4   0.287313   0.040343  -0.168824
+    1SOL     H5    5   0.254538   0.129975  -0.176182
+    1SOL     H6    6   0.264198  -0.000583  -0.252209
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/404/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073522   0.056521   0.023711
+    0SOL     H3    3  -0.074893   0.059305  -0.006027
+    1SOL     O4    4   0.252582   0.130592   0.009492
+    1SOL     H5    5   0.313500   0.178601   0.065585
+    1SOL     H6    6   0.195531   0.198089  -0.027271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/405/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010663   0.074203  -0.059519
+    0SOL     H3    3  -0.055631   0.021174   0.074961
+    1SOL     O4    4   0.044433  -0.394838  -0.049273
+    1SOL     H5    5   0.034546  -0.375022  -0.142397
+    1SOL     H6    6   0.136019  -0.421039  -0.039904
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/406/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051442  -0.060636   0.053286
+    0SOL     H3    3  -0.002000  -0.037712  -0.087955
+    1SOL     O4    4   0.061099   0.277265  -0.010741
+    1SOL     H5    5   0.026633   0.189526   0.005879
+    1SOL     H6    6   0.020737   0.303639  -0.093431
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/407/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.041353   0.066936  -0.054514
+    0SOL     H3    3  -0.000162   0.037356   0.088130
+    1SOL     O4    4  -0.059729   0.216366   0.153782
+    1SOL     H5    5  -0.129043   0.254514   0.099905
+    1SOL     H6    6  -0.106151   0.163741   0.218881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/408/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091869  -0.019590  -0.018401
+    0SOL     H3    3  -0.001375   0.087696   0.038340
+    1SOL     O4    4   0.090319   0.172770   0.336373
+    1SOL     H5    5   0.086983   0.202221   0.245358
+    1SOL     H6    6   0.015594   0.215545   0.378193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/409/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074923  -0.039372   0.044707
+    0SOL     H3    3   0.057566  -0.073832  -0.019933
+    1SOL     O4    4  -0.198105  -0.174305   0.081988
+    1SOL     H5    5  -0.272958  -0.196061   0.026436
+    1SOL     H6    6  -0.231406  -0.107689   0.142119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/410/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060148  -0.001940   0.074436
+    0SOL     H3    3   0.003373  -0.090668  -0.030499
+    1SOL     O4    4  -0.168258   0.058797   0.200107
+    1SOL     H5    5  -0.182373  -0.020519   0.251798
+    1SOL     H6    6  -0.163854   0.129166   0.264845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/411/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083732   0.044571   0.012832
+    0SOL     H3    3  -0.060851   0.046167   0.057690
+    1SOL     O4    4  -0.019614   0.280768  -0.134844
+    1SOL     H5    5   0.037964   0.351358  -0.164240
+    1SOL     H6    6   0.027877   0.200507  -0.156413
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/412/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045933   0.054510   0.063884
+    0SOL     H3    3   0.023516  -0.089713   0.023683
+    1SOL     O4    4  -0.016058   0.227005  -0.202697
+    1SOL     H5    5  -0.002297   0.229945  -0.297377
+    1SOL     H6    6   0.014674   0.140171  -0.176665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/413/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079158   0.038007   0.038101
+    0SOL     H3    3  -0.005044   0.037995  -0.087711
+    1SOL     O4    4  -0.102350  -0.212942  -0.295044
+    1SOL     H5    5  -0.128452  -0.171104  -0.377084
+    1SOL     H6    6  -0.016338  -0.175785  -0.275460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/414/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095468   0.001977  -0.006652
+    0SOL     H3    3   0.029335  -0.032187  -0.085240
+    1SOL     O4    4   0.063048  -0.112996  -0.240949
+    1SOL     H5    5   0.087505  -0.042406  -0.300792
+    1SOL     H6    6  -0.031143  -0.123964  -0.253995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/415/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051815   0.080148   0.007333
+    0SOL     H3    3  -0.088202   0.025921   0.026663
+    1SOL     O4    4   0.045950   0.251627   0.108318
+    1SOL     H5    5   0.118398   0.266235   0.047488
+    1SOL     H6    6   0.088040   0.240734   0.193595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/416/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076190   0.027905  -0.050781
+    0SOL     H3    3   0.021697   0.075769   0.054320
+    1SOL     O4    4   0.143342   0.189705   0.141116
+    1SOL     H5    5   0.110989   0.202213   0.230330
+    1SOL     H6    6   0.208935   0.120424   0.148868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/417/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022419   0.025111   0.089606
+    0SOL     H3    3  -0.032982   0.071813  -0.054013
+    1SOL     O4    4  -0.009452   0.161145  -0.205775
+    1SOL     H5    5   0.013150   0.248753  -0.174530
+    1SOL     H6    6   0.054919   0.142712  -0.274178
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/418/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020067  -0.059855  -0.071952
+    0SOL     H3    3   0.053494  -0.031349   0.072924
+    1SOL     O4    4   0.153917   0.177424  -0.068368
+    1SOL     H5    5   0.079544   0.119767  -0.050862
+    1SOL     H6    6   0.133230   0.218457  -0.152336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/419/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025807  -0.036219  -0.084761
+    0SOL     H3    3   0.090689   0.027972  -0.012463
+    1SOL     O4    4   0.257877   0.091755   0.035070
+    1SOL     H5    5   0.319680   0.070410   0.104977
+    1SOL     H6    6   0.272027   0.184897   0.018140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/420/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032576  -0.077718   0.045398
+    0SOL     H3    3   0.049948   0.072471   0.037623
+    1SOL     O4    4   0.280510   0.082862   0.170224
+    1SOL     H5    5   0.349921   0.105845   0.108449
+    1SOL     H6    6   0.257095   0.165768   0.211945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/421/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009913   0.076628   0.056500
+    0SOL     H3    3  -0.050250  -0.068731   0.043741
+    1SOL     O4    4  -0.124388   0.075367  -0.227351
+    1SOL     H5    5  -0.093082   0.040731  -0.143789
+    1SOL     H6    6  -0.219677   0.077073  -0.218435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/422/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020855   0.039781  -0.084528
+    0SOL     H3    3   0.089971   0.027362   0.017856
+    1SOL     O4    4  -0.215931  -0.100671   0.122100
+    1SOL     H5    5  -0.138485  -0.069572   0.075225
+    1SOL     H6    6  -0.221568  -0.044256   0.199222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/423/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028761   0.088902  -0.020773
+    0SOL     H3    3  -0.055065  -0.056354  -0.054355
+    1SOL     O4    4   0.181250  -0.140322  -0.151991
+    1SOL     H5    5   0.106154  -0.085538  -0.129151
+    1SOL     H6    6   0.198964  -0.119708  -0.243771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/424/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070134   0.057973   0.029710
+    0SOL     H3    3   0.080602   0.044257   0.026590
+    1SOL     O4    4  -0.165110   0.145366   0.133662
+    1SOL     H5    5  -0.219123   0.092826   0.192692
+    1SOL     H6    6  -0.098804   0.184680   0.190410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/425/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044694  -0.078278   0.032208
+    0SOL     H3    3   0.043388   0.072577   0.044860
+    1SOL     O4    4  -0.263348  -0.011741   0.038540
+    1SOL     H5    5  -0.300207   0.009860  -0.047117
+    1SOL     H6    6  -0.168833  -0.001683   0.027224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/426/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056480   0.029134  -0.071579
+    0SOL     H3    3  -0.078875   0.053587  -0.008333
+    1SOL     O4    4   0.038392  -0.291839  -0.081761
+    1SOL     H5    5   0.085941  -0.273071  -0.162688
+    1SOL     H6    6   0.017308  -0.205680  -0.045783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/427/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051560  -0.073347  -0.033528
+    0SOL     H3    3   0.061439   0.049903   0.053826
+    1SOL     O4    4  -0.073751   0.227580  -0.112368
+    1SOL     H5    5  -0.033456   0.147631  -0.078504
+    1SOL     H6    6   0.000196   0.283777  -0.135521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/428/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018054   0.039871  -0.085127
+    0SOL     H3    3   0.072310  -0.060462  -0.016670
+    1SOL     O4    4  -0.233716   0.186433  -0.163417
+    1SOL     H5    5  -0.182509   0.225674  -0.234130
+    1SOL     H6    6  -0.230220   0.250816  -0.092672
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/429/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032524   0.068846  -0.058007
+    0SOL     H3    3  -0.050419  -0.057799  -0.057267
+    1SOL     O4    4  -0.106407  -0.216954  -0.126799
+    1SOL     H5    5  -0.162926  -0.284396  -0.089123
+    1SOL     H6    6  -0.152467  -0.188362  -0.205686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/430/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030434  -0.008339   0.090369
+    0SOL     H3    3   0.043081  -0.071694  -0.046544
+    1SOL     O4    4  -0.123116  -0.308476  -0.093080
+    1SOL     H5    5  -0.082679  -0.333751  -0.010083
+    1SOL     H6    6  -0.164982  -0.388522  -0.124737
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/431/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044992   0.006107   0.084266
+    0SOL     H3    3   0.091935  -0.013762   0.022823
+    1SOL     O4    4  -0.136663   0.118825   0.224577
+    1SOL     H5    5  -0.089503   0.121776   0.307821
+    1SOL     H6    6  -0.168111   0.208299   0.211625
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/432/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074304  -0.052198  -0.030275
+    0SOL     H3    3  -0.037736   0.060919   0.063461
+    1SOL     O4    4  -0.172090  -0.141320  -0.132007
+    1SOL     H5    5  -0.185729  -0.209775  -0.066507
+    1SOL     H6    6  -0.115499  -0.181886  -0.197689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/433/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034523   0.037994   0.080789
+    0SOL     H3    3  -0.075219  -0.003104  -0.059117
+    1SOL     O4    4   0.038540  -0.279201   0.154353
+    1SOL     H5    5   0.016935  -0.342049   0.085464
+    1SOL     H6    6   0.016373  -0.193955   0.116881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/434/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053555  -0.079270  -0.003238
+    0SOL     H3    3   0.002663   0.030880  -0.090563
+    1SOL     O4    4  -0.006537  -0.178709   0.273796
+    1SOL     H5    5   0.056028  -0.205770   0.206598
+    1SOL     H6    6   0.001966  -0.244798   0.342514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/435/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032217  -0.076913   0.046997
+    0SOL     H3    3   0.062573   0.040396   0.060126
+    1SOL     O4    4   0.082172   0.282443   0.082461
+    1SOL     H5    5   0.122557   0.367538   0.099497
+    1SOL     H6    6   0.139962   0.240826   0.018502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/436/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022578   0.080095  -0.047301
+    0SOL     H3    3  -0.017808  -0.064231  -0.068699
+    1SOL     O4    4  -0.119577  -0.180440   0.204957
+    1SOL     H5    5  -0.081603  -0.190908   0.292196
+    1SOL     H6    6  -0.087104  -0.095645   0.174665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/437/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004795  -0.035944   0.088585
+    0SOL     H3    3  -0.012965   0.094131   0.011561
+    1SOL     O4    4   0.208385  -0.165819  -0.073972
+    1SOL     H5    5   0.133213  -0.106661  -0.077398
+    1SOL     H6    6   0.183779  -0.239178  -0.130323
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/438/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001303   0.031316   0.090443
+    0SOL     H3    3  -0.050674  -0.081182   0.001980
+    1SOL     O4    4   0.044126   0.097628   0.252812
+    1SOL     H5    5   0.076317   0.174905   0.299227
+    1SOL     H6    6  -0.037578   0.075188   0.297346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/439/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001701  -0.073422  -0.061390
+    0SOL     H3    3   0.086266  -0.005127   0.041161
+    1SOL     O4    4   0.084106   0.082003  -0.307301
+    1SOL     H5    5  -0.011352   0.086815  -0.302105
+    1SOL     H6    6   0.110005   0.163940  -0.349464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/440/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060479   0.069367   0.026322
+    0SOL     H3    3   0.064136  -0.004116   0.070936
+    1SOL     O4    4  -0.212914   0.175711   0.022281
+    1SOL     H5    5  -0.302010   0.142066   0.012676
+    1SOL     H6    6  -0.214022   0.259912  -0.023230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/441/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080127   0.006609   0.051944
+    0SOL     H3    3  -0.021368   0.043231  -0.082685
+    1SOL     O4    4   0.267542   0.000112   0.047921
+    1SOL     H5    5   0.271014  -0.051376   0.128539
+    1SOL     H6    6   0.174444   0.018240   0.035014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/442/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042022   0.019994  -0.083646
+    0SOL     H3    3  -0.065428   0.023242   0.065888
+    1SOL     O4    4  -0.059434  -0.004096  -0.278051
+    1SOL     H5    5  -0.155076  -0.005229  -0.274354
+    1SOL     H6    6  -0.037007   0.088055  -0.290995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/443/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038241   0.044923   0.075378
+    0SOL     H3    3   0.024870   0.053805  -0.075158
+    1SOL     O4    4   0.019702   0.100404   0.260228
+    1SOL     H5    5   0.043428   0.017045   0.300857
+    1SOL     H6    6   0.096710   0.155898   0.272577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/444/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003350  -0.028411  -0.091345
+    0SOL     H3    3   0.001258   0.095604  -0.004541
+    1SOL     O4    4   0.018383  -0.324587  -0.082787
+    1SOL     H5    5  -0.018811  -0.408871  -0.056806
+    1SOL     H6    6   0.065409  -0.294157  -0.005166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/445/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004111   0.042631  -0.085604
+    0SOL     H3    3  -0.030964   0.066534   0.061455
+    1SOL     O4    4   0.133734  -0.026537   0.381676
+    1SOL     H5    5   0.159144   0.021086   0.460725
+    1SOL     H6    6   0.202344  -0.005978   0.318176
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/446/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093409   0.000202   0.020905
+    0SOL     H3    3  -0.041999  -0.035985   0.078124
+    1SOL     O4    4   0.245408   0.015098   0.087944
+    1SOL     H5    5   0.231501   0.091770   0.143534
+    1SOL     H6    6   0.314441   0.041697   0.027205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/447/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020546   0.083029  -0.042969
+    0SOL     H3    3  -0.033164  -0.066879  -0.059913
+    1SOL     O4    4   0.237960   0.102970   0.111296
+    1SOL     H5    5   0.252498   0.181572   0.058640
+    1SOL     H6    6   0.158467   0.064039   0.074860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/448/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000846   0.068839  -0.066504
+    0SOL     H3    3  -0.055981   0.033575   0.070008
+    1SOL     O4    4   0.036650   0.223301  -0.144856
+    1SOL     H5    5  -0.037492   0.224291  -0.205389
+    1SOL     H6    6   0.048509   0.314956  -0.119934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/449/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018221   0.008442   0.093590
+    0SOL     H3    3  -0.033067   0.081248  -0.038311
+    1SOL     O4    4  -0.093410   0.207185  -0.158116
+    1SOL     H5    5  -0.034464   0.270576  -0.117259
+    1SOL     H6    6  -0.088108   0.226364  -0.251745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/450/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021459  -0.023998   0.090144
+    0SOL     H3    3  -0.012060   0.094907  -0.003088
+    1SOL     O4    4  -0.198764  -0.033429  -0.192733
+    1SOL     H5    5  -0.147548  -0.028842  -0.111998
+    1SOL     H6    6  -0.179381  -0.120048  -0.228561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/451/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049884   0.045157  -0.068078
+    0SOL     H3    3  -0.026466   0.042715   0.081470
+    1SOL     O4    4   0.252715  -0.082951  -0.002215
+    1SOL     H5    5   0.268472  -0.103211   0.090000
+    1SOL     H6    6   0.164304  -0.046308  -0.003968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/452/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021014   0.092301  -0.014186
+    0SOL     H3    3   0.038452  -0.045187  -0.075113
+    1SOL     O4    4   0.053610   0.229145  -0.169484
+    1SOL     H5    5   0.047939   0.320696  -0.142125
+    1SOL     H6    6   0.143994   0.218518  -0.199152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/453/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018541  -0.031455  -0.088482
+    0SOL     H3    3  -0.031382   0.090429   0.000390
+    1SOL     O4    4   0.098625   0.111172  -0.367104
+    1SOL     H5    5   0.070437   0.022812  -0.343435
+    1SOL     H6    6   0.191495   0.113715  -0.344060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/454/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047007  -0.050665   0.066225
+    0SOL     H3    3  -0.000099  -0.056114  -0.077547
+    1SOL     O4    4   0.039095   0.269376  -0.009569
+    1SOL     H5    5  -0.010606   0.331373   0.043802
+    1SOL     H6    6  -0.007241   0.186261   0.000786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/455/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015285  -0.051175  -0.079434
+    0SOL     H3    3  -0.089873  -0.021154   0.025253
+    1SOL     O4    4   0.176970  -0.250824   0.098725
+    1SOL     H5    5   0.131103  -0.174509   0.063588
+    1SOL     H6    6   0.135515  -0.325631   0.055740
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/456/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053439   0.069384  -0.038633
+    0SOL     H3    3   0.062054  -0.070396   0.018868
+    1SOL     O4    4  -0.294361   0.233926   0.056721
+    1SOL     H5    5  -0.240019   0.226932  -0.021767
+    1SOL     H6    6  -0.260190   0.310538   0.102821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/457/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004420   0.044526   0.084618
+    0SOL     H3    3  -0.093642  -0.007095  -0.018522
+    1SOL     O4    4   0.253002  -0.093440  -0.039930
+    1SOL     H5    5   0.174253  -0.039089  -0.037316
+    1SOL     H6    6   0.324959  -0.032178  -0.024712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/458/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061867  -0.073034  -0.000884
+    0SOL     H3    3   0.014796   0.020038  -0.092422
+    1SOL     O4    4   0.075908  -0.233310  -0.273128
+    1SOL     H5    5   0.156774  -0.194387  -0.239841
+    1SOL     H6    6   0.051752  -0.178370  -0.347696
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/459/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028838  -0.086863   0.028026
+    0SOL     H3    3   0.015243  -0.008967  -0.094072
+    1SOL     O4    4   0.240940   0.077920   0.097470
+    1SOL     H5    5   0.168598   0.045910   0.043579
+    1SOL     H6    6   0.208194   0.159338   0.135693
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/460/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086707  -0.004849  -0.040258
+    0SOL     H3    3  -0.021489  -0.090717   0.021703
+    1SOL     O4    4   0.108552   0.279741   0.180727
+    1SOL     H5    5   0.132807   0.372218   0.185415
+    1SOL     H6    6   0.017570   0.280271   0.150989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/461/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033812  -0.080596   0.039029
+    0SOL     H3    3  -0.077890   0.046082  -0.031176
+    1SOL     O4    4  -0.205537   0.138930  -0.104246
+    1SOL     H5    5  -0.151048   0.201053  -0.152557
+    1SOL     H6    6  -0.266043   0.104099  -0.169730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/462/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077593   0.051899  -0.021170
+    0SOL     H3    3   0.053802   0.003921  -0.079072
+    1SOL     O4    4  -0.040448  -0.226455   0.156306
+    1SOL     H5    5  -0.013820  -0.148194   0.108051
+    1SOL     H6    6  -0.013574  -0.209300   0.246561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/463/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062377   0.008325  -0.072126
+    0SOL     H3    3  -0.077853   0.046872  -0.030070
+    1SOL     O4    4  -0.265084   0.082764  -0.018906
+    1SOL     H5    5  -0.302101   0.162799  -0.056142
+    1SOL     H6    6  -0.341252   0.029844   0.004763
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/464/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086783  -0.016303   0.036949
+    0SOL     H3    3   0.043311   0.056124   0.064317
+    1SOL     O4    4   0.083629   0.185451   0.221002
+    1SOL     H5    5   0.179175   0.184591   0.215305
+    1SOL     H6    6   0.064857   0.164670   0.312533
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/465/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093057  -0.019377  -0.011278
+    0SOL     H3    3   0.005393   0.095447  -0.004802
+    1SOL     O4    4  -0.112232  -0.225715   0.227821
+    1SOL     H5    5  -0.147913  -0.233351   0.139329
+    1SOL     H6    6  -0.106899  -0.131438   0.243495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/466/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017427  -0.081659   0.046802
+    0SOL     H3    3   0.070348   0.006106  -0.064623
+    1SOL     O4    4   0.193055   0.055401  -0.179621
+    1SOL     H5    5   0.288087   0.044198  -0.181993
+    1SOL     H6    6   0.162837   0.022007  -0.264084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/467/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082314   0.029741  -0.038757
+    0SOL     H3    3   0.026272  -0.046233   0.079590
+    1SOL     O4    4   0.130868  -0.212061   0.132724
+    1SOL     H5    5   0.214380  -0.167833   0.117493
+    1SOL     H6    6   0.091831  -0.164942   0.206332
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/468/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017838  -0.075614   0.055917
+    0SOL     H3    3   0.095060   0.010623   0.003608
+    1SOL     O4    4   0.030810  -0.130966  -0.258598
+    1SOL     H5    5   0.022462  -0.161652  -0.348881
+    1SOL     H6    6  -0.058999  -0.128917  -0.225546
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/469/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051179   0.005464   0.080704
+    0SOL     H3    3   0.026849   0.090187  -0.017544
+    1SOL     O4    4   0.229509  -0.245074   0.131068
+    1SOL     H5    5   0.194632  -0.259479   0.043100
+    1SOL     H6    6   0.275801  -0.161502   0.125143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/470/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043871   0.031638  -0.078973
+    0SOL     H3    3   0.070672  -0.034673   0.054457
+    1SOL     O4    4  -0.106815  -0.177378  -0.193406
+    1SOL     H5    5  -0.066560  -0.142301  -0.113960
+    1SOL     H6    6  -0.047646  -0.151092  -0.263907
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/471/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027469  -0.022521   0.088885
+    0SOL     H3    3   0.073494  -0.026548  -0.055283
+    1SOL     O4    4   0.167985  -0.076133  -0.211754
+    1SOL     H5    5   0.200427   0.003321  -0.254143
+    1SOL     H6    6   0.246824  -0.126690  -0.191987
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/472/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007788  -0.039028   0.087054
+    0SOL     H3    3   0.074448  -0.045021  -0.039912
+    1SOL     O4    4   0.055886   0.301838  -0.004319
+    1SOL     H5    5   0.083380   0.216025   0.027969
+    1SOL     H6    6  -0.027028   0.285175  -0.049151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/473/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080575  -0.016019   0.049126
+    0SOL     H3    3  -0.038777   0.076835   0.041894
+    1SOL     O4    4   0.218283  -0.010003   0.172187
+    1SOL     H5    5   0.282556  -0.080506   0.179977
+    1SOL     H6    6   0.255356   0.062012   0.223194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/474/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094818   0.002511  -0.012867
+    0SOL     H3    3  -0.035388  -0.021180  -0.086379
+    1SOL     O4    4   0.147434   0.252016  -0.170572
+    1SOL     H5    5   0.150149   0.283294  -0.080147
+    1SOL     H6    6   0.068668   0.292001  -0.207442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/475/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074909  -0.023059  -0.054947
+    0SOL     H3    3   0.066306  -0.065767  -0.020989
+    1SOL     O4    4   0.315070   0.034596   0.152396
+    1SOL     H5    5   0.288460   0.080112   0.072505
+    1SOL     H6    6   0.367946  -0.039012   0.121601
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/476/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067199  -0.063787  -0.024038
+    0SOL     H3    3  -0.048756   0.072988   0.038183
+    1SOL     O4    4  -0.207564  -0.184275  -0.056126
+    1SOL     H5    5  -0.187006  -0.261636  -0.003638
+    1SOL     H6    6  -0.284544  -0.209600  -0.107067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/477/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080536   0.043075  -0.028651
+    0SOL     H3    3  -0.070158   0.057431  -0.030689
+    1SOL     O4    4   0.106053   0.244602  -0.186547
+    1SOL     H5    5   0.160012   0.253163  -0.265144
+    1SOL     H6    6   0.050094   0.168926  -0.203980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/478/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093517   0.008233  -0.018686
+    0SOL     H3    3  -0.042298   0.007245  -0.085561
+    1SOL     O4    4  -0.228246   0.019091  -0.170194
+    1SOL     H5    5  -0.233184  -0.012190  -0.260524
+    1SOL     H6    6  -0.234271   0.114347  -0.177421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/479/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058997  -0.067268   0.034011
+    0SOL     H3    3   0.057514   0.072996  -0.022935
+    1SOL     O4    4  -0.112014   0.112147   0.292049
+    1SOL     H5    5  -0.059222   0.147385   0.220399
+    1SOL     H6    6  -0.185713   0.069153   0.248664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/480/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076311   0.046115  -0.034818
+    0SOL     H3    3   0.036499  -0.064359   0.060730
+    1SOL     O4    4  -0.254656   0.034669   0.156139
+    1SOL     H5    5  -0.254483   0.100904   0.225242
+    1SOL     H6    6  -0.173283   0.049904   0.108090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/481/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086951  -0.019043  -0.035203
+    0SOL     H3    3  -0.035872  -0.085708   0.023016
+    1SOL     O4    4   0.059746   0.052019  -0.337817
+    1SOL     H5    5   0.069554   0.017530  -0.426568
+    1SOL     H6    6   0.131734   0.012517  -0.288627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/482/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039130   0.070637  -0.051397
+    0SOL     H3    3   0.052611  -0.003538   0.079887
+    1SOL     O4    4  -0.217140   0.094424   0.129549
+    1SOL     H5    5  -0.242110   0.174758   0.083884
+    1SOL     H6    6  -0.138178   0.064682   0.084353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/483/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030038  -0.080324   0.042523
+    0SOL     H3    3  -0.048796   0.003287  -0.082283
+    1SOL     O4    4  -0.340457   0.109259   0.244478
+    1SOL     H5    5  -0.349864   0.086035   0.336860
+    1SOL     H6    6  -0.247322   0.128702   0.233983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/484/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063668  -0.025596   0.066735
+    0SOL     H3    3   0.048000   0.059817  -0.057274
+    1SOL     O4    4  -0.177947   0.263274  -0.187874
+    1SOL     H5    5  -0.137361   0.290757  -0.105657
+    1SOL     H6    6  -0.198726   0.345136  -0.232921
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/485/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018829   0.072269  -0.059874
+    0SOL     H3    3  -0.080183  -0.010197   0.051274
+    1SOL     O4    4  -0.229072  -0.024710   0.146921
+    1SOL     H5    5  -0.205747   0.023851   0.226042
+    1SOL     H6    6  -0.186220  -0.109660   0.157393
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/486/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014185   0.093932   0.011740
+    0SOL     H3    3  -0.027785  -0.031031   0.086182
+    1SOL     O4    4   0.056399   0.293153   0.006670
+    1SOL     H5    5   0.128602   0.294421   0.069499
+    1SOL     H6    6   0.097307   0.313983  -0.077324
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/487/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002487  -0.059888  -0.074630
+    0SOL     H3    3   0.046748  -0.048409   0.068070
+    1SOL     O4    4   0.136177  -0.121126   0.201710
+    1SOL     H5    5   0.145326  -0.215229   0.216652
+    1SOL     H6    6   0.175677  -0.080616   0.278918
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/488/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013221  -0.089740  -0.030565
+    0SOL     H3    3  -0.053242  -0.009159   0.079017
+    1SOL     O4    4  -0.288094  -0.016119  -0.168264
+    1SOL     H5    5  -0.292112  -0.092402  -0.110584
+    1SOL     H6    6  -0.358977  -0.029797  -0.231119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/489/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050785   0.061854  -0.052510
+    0SOL     H3    3  -0.013617  -0.075052  -0.057829
+    1SOL     O4    4   0.248227  -0.126073  -0.137837
+    1SOL     H5    5   0.194074  -0.095486  -0.210598
+    1SOL     H6    6   0.212248  -0.211937  -0.115583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/490/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059760  -0.071011  -0.023420
+    0SOL     H3    3  -0.081005  -0.020409  -0.046733
+    1SOL     O4    4   0.072674   0.042917   0.260783
+    1SOL     H5    5   0.069471   0.136255   0.281761
+    1SOL     H6    6   0.046082   0.038032   0.168960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/491/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082634   0.021713  -0.043157
+    0SOL     H3    3  -0.008148  -0.094837  -0.010088
+    1SOL     O4    4   0.283946  -0.191529   0.073249
+    1SOL     H5    5   0.295691  -0.108329   0.119099
+    1SOL     H6    6   0.257696  -0.166601  -0.015362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/492/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017786  -0.093776   0.007217
+    0SOL     H3    3   0.056005   0.019654   0.075097
+    1SOL     O4    4  -0.110953   0.015762  -0.317618
+    1SOL     H5    5  -0.151010   0.090110  -0.272563
+    1SOL     H6    6  -0.172191  -0.005437  -0.388066
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/493/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081585  -0.021471   0.045223
+    0SOL     H3    3  -0.000912  -0.057557  -0.076477
+    1SOL     O4    4   0.286005  -0.056793   0.067980
+    1SOL     H5    5   0.341582  -0.087396  -0.003693
+    1SOL     H6    6   0.329351   0.022382   0.099836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/494/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061298   0.013364  -0.072293
+    0SOL     H3    3  -0.081842   0.039277  -0.030358
+    1SOL     O4    4  -0.260440  -0.138358   0.098420
+    1SOL     H5    5  -0.292828  -0.221806   0.132328
+    1SOL     H6    6  -0.210310  -0.161998   0.020379
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/495/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091628  -0.026277   0.008724
+    0SOL     H3    3  -0.012521   0.012530  -0.094067
+    1SOL     O4    4  -0.058128   0.056178  -0.267381
+    1SOL     H5    5  -0.001722   0.132166  -0.281750
+    1SOL     H6    6  -0.142546   0.093425  -0.241918
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/496/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087918  -0.017839  -0.033383
+    0SOL     H3    3  -0.051794  -0.075801  -0.027089
+    1SOL     O4    4   0.256395   0.048196  -0.054388
+    1SOL     H5    5   0.325893   0.010767  -0.000245
+    1SOL     H6    6   0.238629   0.133596  -0.014975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/497/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049886   0.059479  -0.055999
+    0SOL     H3    3   0.063757  -0.065629   0.028111
+    1SOL     O4    4  -0.154043  -0.060862  -0.240805
+    1SOL     H5    5  -0.123134  -0.032313  -0.154829
+    1SOL     H6    6  -0.225259  -0.121886  -0.221658
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/498/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001679  -0.082079   0.049219
+    0SOL     H3    3   0.002649   0.068253   0.067059
+    1SOL     O4    4  -0.237242   0.065656  -0.122072
+    1SOL     H5    5  -0.161952   0.034663  -0.071742
+    1SOL     H6    6  -0.221296   0.034076  -0.211015
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/499/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060471   0.007066   0.073863
+    0SOL     H3    3   0.022510  -0.092959  -0.003779
+    1SOL     O4    4   0.114288  -0.238635  -0.060405
+    1SOL     H5    5   0.025917  -0.273098  -0.047554
+    1SOL     H6    6   0.120683  -0.223542  -0.154711
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/500/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014133  -0.085671   0.040287
+    0SOL     H3    3  -0.047459  -0.019064  -0.080911
+    1SOL     O4    4  -0.026967   0.341056  -0.225763
+    1SOL     H5    5   0.025389   0.279625  -0.277216
+    1SOL     H6    6   0.004120   0.427492  -0.252683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/501/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012846  -0.042212  -0.084944
+    0SOL     H3    3  -0.086328  -0.029716   0.028755
+    1SOL     O4    4   0.144896  -0.017694   0.238233
+    1SOL     H5    5   0.103692  -0.025739   0.152211
+    1SOL     H6    6   0.210424   0.051187   0.227108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/502/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041139  -0.000386  -0.086428
+    0SOL     H3    3  -0.093981  -0.000618  -0.018153
+    1SOL     O4    4   0.232301  -0.022828   0.341255
+    1SOL     H5    5   0.312819  -0.047883   0.386547
+    1SOL     H6    6   0.197184  -0.105189   0.307405
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/503/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036219   0.062237  -0.063064
+    0SOL     H3    3   0.052934   0.012153   0.078820
+    1SOL     O4    4   0.170530  -0.216412  -0.060144
+    1SOL     H5    5   0.086886  -0.171451  -0.048124
+    1SOL     H6    6   0.154511  -0.278247  -0.131432
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/504/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033383   0.089524  -0.005776
+    0SOL     H3    3   0.059709   0.001432   0.074801
+    1SOL     O4    4   0.041401  -0.299814   0.002939
+    1SOL     H5    5   0.040143  -0.213962   0.045251
+    1SOL     H6    6  -0.045422  -0.336289   0.020074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/505/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041014   0.003376   0.086422
+    0SOL     H3    3   0.053717   0.057667  -0.054326
+    1SOL     O4    4   0.133470   0.171643  -0.150389
+    1SOL     H5    5   0.215803   0.153967  -0.104879
+    1SOL     H6    6   0.150227   0.146097  -0.241102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/506/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060123   0.034105  -0.066214
+    0SOL     H3    3   0.052249  -0.062928   0.049723
+    1SOL     O4    4   0.027421  -0.397962  -0.141466
+    1SOL     H5    5  -0.025465  -0.404798  -0.220957
+    1SOL     H6    6  -0.032452  -0.362406  -0.075791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/507/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045609  -0.003576  -0.084080
+    0SOL     H3    3  -0.032559  -0.089003   0.013445
+    1SOL     O4    4   0.064418   0.133881   0.224815
+    1SOL     H5    5   0.160037   0.137689   0.226977
+    1SOL     H6    6   0.044231   0.081587   0.147226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/508/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020648   0.039070  -0.084909
+    0SOL     H3    3  -0.086415   0.034770   0.022040
+    1SOL     O4    4  -0.253670   0.065675   0.061351
+    1SOL     H5    5  -0.328423   0.008502   0.078834
+    1SOL     H6    6  -0.292559   0.151410   0.044045
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/509/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030436   0.007941  -0.090404
+    0SOL     H3    3   0.016387   0.090114   0.027808
+    1SOL     O4    4   0.236277   0.142573   0.261734
+    1SOL     H5    5   0.294344   0.192859   0.204621
+    1SOL     H6    6   0.148406   0.173735   0.240054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/510/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042993  -0.045350   0.072508
+    0SOL     H3    3   0.048189   0.071481   0.041600
+    1SOL     O4    4  -0.182819   0.115711  -0.154581
+    1SOL     H5    5  -0.208562   0.084364  -0.241281
+    1SOL     H6    6  -0.121266   0.049787  -0.122527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/511/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033815  -0.081794  -0.036449
+    0SOL     H3    3  -0.026928  -0.001708   0.091838
+    1SOL     O4    4  -0.200875   0.161593  -0.042638
+    1SOL     H5    5  -0.141820   0.233128  -0.066252
+    1SOL     H6    6  -0.146130   0.083149  -0.046082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/512/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010656  -0.061043   0.072956
+    0SOL     H3    3  -0.093062   0.022385   0.000836
+    1SOL     O4    4  -0.268584   0.074056   0.048733
+    1SOL     H5    5  -0.337809   0.129620   0.084550
+    1SOL     H6    6  -0.269088   0.092615  -0.045169
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/513/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024257  -0.092086  -0.009705
+    0SOL     H3    3   0.042918   0.022345  -0.082590
+    1SOL     O4    4   0.193569   0.057944  -0.182665
+    1SOL     H5    5   0.213943   0.149955  -0.199430
+    1SOL     H6    6   0.270735   0.024176  -0.137196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/514/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020551  -0.086573  -0.035287
+    0SOL     H3    3   0.002850  -0.012790   0.094819
+    1SOL     O4    4   0.004596  -0.259120  -0.118198
+    1SOL     H5    5   0.010531  -0.248122  -0.213099
+    1SOL     H6    6  -0.012149  -0.352554  -0.105868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/515/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010592   0.084977   0.042766
+    0SOL     H3    3   0.085926  -0.041509   0.007483
+    1SOL     O4    4   0.006901   0.256205   0.073027
+    1SOL     H5    5   0.055362   0.336394   0.053442
+    1SOL     H6    6  -0.045937   0.278227   0.149744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/516/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050882  -0.063928  -0.049865
+    0SOL     H3    3  -0.090995  -0.018160  -0.023503
+    1SOL     O4    4  -0.115752   0.293763   0.088705
+    1SOL     H5    5  -0.038789   0.274017   0.035328
+    1SOL     H6    6  -0.095881   0.378212   0.129151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/517/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037358  -0.035893   0.080488
+    0SOL     H3    3   0.022884  -0.063782  -0.067605
+    1SOL     O4    4   0.078074  -0.106149  -0.239879
+    1SOL     H5    5   0.124192  -0.022276  -0.238994
+    1SOL     H6    6   0.147332  -0.171706  -0.231629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/518/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027122  -0.075663  -0.051979
+    0SOL     H3    3   0.087028  -0.023132   0.032455
+    1SOL     O4    4  -0.139511   0.180858  -0.183503
+    1SOL     H5    5  -0.189016   0.195914  -0.102974
+    1SOL     H6    6  -0.074438   0.114825  -0.159679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/519/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044955   0.010414  -0.083862
+    0SOL     H3    3  -0.049593  -0.081342  -0.009294
+    1SOL     O4    4  -0.040950   0.261485   0.022782
+    1SOL     H5    5  -0.017517   0.170135   0.006400
+    1SOL     H6    6  -0.106637   0.257318   0.092281
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/520/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032170  -0.064500   0.062986
+    0SOL     H3    3  -0.013771  -0.049887  -0.080523
+    1SOL     O4    4  -0.067595  -0.095232  -0.241422
+    1SOL     H5    5  -0.159106  -0.121201  -0.252087
+    1SOL     H6    6  -0.063625  -0.006310  -0.276627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/521/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019676  -0.044429   0.082469
+    0SOL     H3    3  -0.041444  -0.067171  -0.054155
+    1SOL     O4    4  -0.045666   0.236790   0.151572
+    1SOL     H5    5  -0.013808   0.149066   0.172829
+    1SOL     H6    6  -0.017921   0.251127   0.061090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/522/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067591  -0.041396   0.053667
+    0SOL     H3    3  -0.032453  -0.070359  -0.056202
+    1SOL     O4    4   0.216023   0.040683   0.195484
+    1SOL     H5    5   0.195591  -0.052753   0.199302
+    1SOL     H6    6   0.155225   0.081093   0.257394
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/523/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086871   0.034665  -0.020347
+    0SOL     H3    3   0.054723   0.077674   0.011596
+    1SOL     O4    4  -0.225623   0.199723  -0.128730
+    1SOL     H5    5  -0.295347   0.135625  -0.114862
+    1SOL     H6    6  -0.228406   0.255420  -0.050933
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/524/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087213  -0.004038   0.039242
+    0SOL     H3    3  -0.005332   0.071874  -0.062993
+    1SOL     O4    4  -0.125837   0.249710   0.207180
+    1SOL     H5    5  -0.190585   0.217911   0.270099
+    1SOL     H6    6  -0.066203   0.175880   0.194724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/525/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052618  -0.074143  -0.029942
+    0SOL     H3    3  -0.060336   0.074299  -0.001231
+    1SOL     O4    4  -0.260076   0.303584  -0.124866
+    1SOL     H5    5  -0.251217   0.266534  -0.037053
+    1SOL     H6    6  -0.295181   0.391453  -0.110410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/526/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028717   0.020564  -0.088965
+    0SOL     H3    3  -0.021118  -0.092686   0.011214
+    1SOL     O4    4  -0.176861   0.105959  -0.196841
+    1SOL     H5    5  -0.111346   0.164895  -0.234212
+    1SOL     H6    6  -0.161883   0.022349  -0.240970
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/527/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040531   0.082715   0.026035
+    0SOL     H3    3  -0.090848   0.022912  -0.019596
+    1SOL     O4    4  -0.253584  -0.021121  -0.178499
+    1SOL     H5    5  -0.294652   0.022808  -0.252970
+    1SOL     H6    6  -0.323484  -0.074338  -0.140497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/528/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075451  -0.058299  -0.008408
+    0SOL     H3    3  -0.034369   0.077465   0.044500
+    1SOL     O4    4  -0.051917   0.190290   0.191690
+    1SOL     H5    5   0.011157   0.177835   0.262605
+    1SOL     H6    6  -0.047749   0.283876   0.172025
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/529/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092985   0.006477  -0.021773
+    0SOL     H3    3  -0.023427  -0.090305  -0.021412
+    1SOL     O4    4   0.254909  -0.021383  -0.061209
+    1SOL     H5    5   0.249678  -0.030704  -0.156330
+    1SOL     H6    6   0.295403   0.064288  -0.047681
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/530/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002635   0.034762  -0.089146
+    0SOL     H3    3  -0.076605  -0.057103   0.005765
+    1SOL     O4    4   0.195236  -0.173632   0.087207
+    1SOL     H5    5   0.171960  -0.085289   0.058640
+    1SOL     H6    6   0.113365  -0.222936   0.081858
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/531/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078586  -0.048782  -0.024634
+    0SOL     H3    3  -0.023769  -0.034634   0.086011
+    1SOL     O4    4   0.131614   0.212289   0.185663
+    1SOL     H5    5   0.151469   0.206792   0.092186
+    1SOL     H6    6   0.161509   0.128718   0.221502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/532/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032160   0.074148   0.051285
+    0SOL     H3    3  -0.001473   0.031008  -0.090547
+    1SOL     O4    4  -0.138185   0.199568   0.201534
+    1SOL     H5    5  -0.230650   0.191153   0.178256
+    1SOL     H6    6  -0.101666   0.257136   0.134344
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/533/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037094   0.064314  -0.060416
+    0SOL     H3    3  -0.043366  -0.082212  -0.022867
+    1SOL     O4    4  -0.166752  -0.189059  -0.102372
+    1SOL     H5    5  -0.173160  -0.236497  -0.019482
+    1SOL     H6    6  -0.108197  -0.242419  -0.156097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/534/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002352  -0.084403  -0.045088
+    0SOL     H3    3   0.092624   0.024129   0.000948
+    1SOL     O4    4  -0.108548  -0.107699   0.224990
+    1SOL     H5    5  -0.087598  -0.082394   0.135085
+    1SOL     H6    6  -0.199377  -0.137636   0.220950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/535/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020590   0.037655   0.085560
+    0SOL     H3    3  -0.014375   0.075748  -0.056726
+    1SOL     O4    4  -0.241399  -0.091754   0.081896
+    1SOL     H5    5  -0.152985  -0.069313   0.052883
+    1SOL     H6    6  -0.258769  -0.177079   0.042142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/536/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086000   0.017506  -0.038207
+    0SOL     H3    3   0.050171  -0.039900  -0.071086
+    1SOL     O4    4  -0.196315   0.260451  -0.032266
+    1SOL     H5    5  -0.122366   0.290692   0.020453
+    1SOL     H6    6  -0.214906   0.333276  -0.091538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/537/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005588  -0.084039   0.045481
+    0SOL     H3    3  -0.076050   0.000938  -0.058119
+    1SOL     O4    4   0.191094  -0.234078  -0.124915
+    1SOL     H5    5   0.249459  -0.300726  -0.161163
+    1SOL     H6    6   0.106347  -0.277932  -0.117365
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/538/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081715   0.047810   0.014116
+    0SOL     H3    3   0.049983   0.013615   0.080490
+    1SOL     O4    4  -0.006699   0.337069  -0.082148
+    1SOL     H5    5   0.061044   0.288401  -0.035195
+    1SOL     H6    6  -0.030706   0.280241  -0.155337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/539/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011494   0.055818  -0.076906
+    0SOL     H3    3   0.029146   0.054030   0.073441
+    1SOL     O4    4   0.176909  -0.224009  -0.026301
+    1SOL     H5    5   0.259403  -0.209130  -0.072515
+    1SOL     H6    6   0.134628  -0.138153  -0.024425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/540/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021833   0.014205   0.092108
+    0SOL     H3    3  -0.075957  -0.058212   0.002043
+    1SOL     O4    4  -0.143190  -0.233725   0.076520
+    1SOL     H5    5  -0.184680  -0.223585   0.162183
+    1SOL     H6    6  -0.215360  -0.254659   0.017227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/541/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061135   0.010014   0.072969
+    0SOL     H3    3  -0.050705   0.024669  -0.077349
+    1SOL     O4    4   0.051781  -0.012048   0.271844
+    1SOL     H5    5   0.072010   0.081256   0.264957
+    1SOL     H6    6   0.106736  -0.043277   0.343727
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/542/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092926  -0.022516  -0.004493
+    0SOL     H3    3   0.025135  -0.019716   0.090232
+    1SOL     O4    4   0.083166  -0.165685  -0.204519
+    1SOL     H5    5   0.029073  -0.242335  -0.185518
+    1SOL     H6    6   0.052117  -0.098701  -0.143597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/543/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082253  -0.047138  -0.013222
+    0SOL     H3    3  -0.006150   0.059061  -0.075075
+    1SOL     O4    4   0.043167   0.127350   0.229640
+    1SOL     H5    5   0.034547   0.052335   0.170811
+    1SOL     H6    6   0.032044   0.090515   0.317286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/544/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045761   0.046392  -0.070114
+    0SOL     H3    3   0.028358   0.043796   0.080250
+    1SOL     O4    4   0.106155  -0.327957  -0.064857
+    1SOL     H5    5   0.025681  -0.376167  -0.045831
+    1SOL     H6    6   0.077171  -0.251675  -0.114891
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/545/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082953  -0.015265  -0.045255
+    0SOL     H3    3  -0.012516  -0.038563   0.086710
+    1SOL     O4    4  -0.186654  -0.117634  -0.167572
+    1SOL     H5    5  -0.198971  -0.082584  -0.255788
+    1SOL     H6    6  -0.148373  -0.204284  -0.181305
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/546/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015672   0.032184  -0.088775
+    0SOL     H3    3  -0.090013   0.026109   0.019451
+    1SOL     O4    4   0.313318  -0.055420   0.132594
+    1SOL     H5    5   0.240640  -0.117710   0.133109
+    1SOL     H6    6   0.321925  -0.027829   0.223847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/547/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012687   0.050049   0.080600
+    0SOL     H3    3   0.016401  -0.089516   0.029667
+    1SOL     O4    4   0.056584   0.111101  -0.302273
+    1SOL     H5    5   0.057850   0.032360  -0.247862
+    1SOL     H6    6   0.147892   0.139670  -0.305273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/548/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030152  -0.090738   0.004440
+    0SOL     H3    3   0.025526   0.021227   0.089778
+    1SOL     O4    4  -0.064405  -0.257676   0.042858
+    1SOL     H5    5  -0.014662  -0.279894   0.121562
+    1SOL     H6    6  -0.153149  -0.240815   0.074519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/549/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007318   0.080509  -0.051255
+    0SOL     H3    3   0.073586  -0.053807  -0.029193
+    1SOL     O4    4   0.145800  -0.265786   0.026457
+    1SOL     H5    5   0.064780  -0.295381   0.067957
+    1SOL     H6    6   0.180169  -0.343657  -0.017329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/550/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087908  -0.013637   0.035334
+    0SOL     H3    3  -0.054454  -0.064072   0.045737
+    1SOL     O4    4  -0.093058   0.116845  -0.228300
+    1SOL     H5    5  -0.048268   0.080140  -0.152084
+    1SOL     H6    6  -0.028795   0.175745  -0.267839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/551/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025868  -0.063514  -0.066777
+    0SOL     H3    3  -0.054075  -0.021664   0.075953
+    1SOL     O4    4   0.082491   0.181391  -0.194169
+    1SOL     H5    5   0.035511   0.141945  -0.120690
+    1SOL     H6    6   0.013571   0.215183  -0.251356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/552/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053263  -0.074702  -0.027294
+    0SOL     H3    3   0.018054   0.047514  -0.081110
+    1SOL     O4    4   0.262720  -0.078526   0.085065
+    1SOL     H5    5   0.318546  -0.130158   0.026928
+    1SOL     H6    6   0.191994  -0.047090   0.028745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/553/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081925   0.024684   0.042911
+    0SOL     H3    3  -0.029495  -0.077706   0.047478
+    1SOL     O4    4  -0.263503   0.133659   0.014544
+    1SOL     H5    5  -0.174289   0.099796   0.022065
+    1SOL     H6    6  -0.257329   0.224393   0.044402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/554/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030495  -0.080419   0.042014
+    0SOL     H3    3   0.035257   0.052670   0.071730
+    1SOL     O4    4  -0.317411  -0.139954   0.024610
+    1SOL     H5    5  -0.354436  -0.054824   0.047945
+    1SOL     H6    6  -0.384826  -0.203123   0.049653
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/555/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071844   0.052844   0.034759
+    0SOL     H3    3   0.015507  -0.087673   0.035148
+    1SOL     O4    4  -0.215550  -0.278985  -0.061558
+    1SOL     H5    5  -0.270191  -0.285547   0.016760
+    1SOL     H6    6  -0.129422  -0.309812  -0.033383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/556/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044261   0.032345   0.078467
+    0SOL     H3    3  -0.000853  -0.095243   0.009503
+    1SOL     O4    4  -0.244982  -0.003209  -0.158224
+    1SOL     H5    5  -0.279267  -0.067098  -0.095733
+    1SOL     H6    6  -0.156042   0.014806  -0.127770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/557/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090910   0.015062  -0.025900
+    0SOL     H3    3  -0.005693  -0.032152   0.089979
+    1SOL     O4    4   0.137594   0.207266   0.091276
+    1SOL     H5    5   0.088503   0.268040   0.146583
+    1SOL     H6    6   0.072558   0.143271   0.062336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/558/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079727  -0.045961  -0.026334
+    0SOL     H3    3  -0.001181  -0.002787   0.095672
+    1SOL     O4    4  -0.045468   0.001844   0.271837
+    1SOL     H5    5  -0.099746  -0.006673   0.350219
+    1SOL     H6    6   0.018405   0.069564   0.294119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/559/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027985  -0.021873  -0.088886
+    0SOL     H3    3   0.077529   0.038613   0.040751
+    1SOL     O4    4   0.194259   0.148081   0.103842
+    1SOL     H5    5   0.235728   0.169714   0.020327
+    1SOL     H6    6   0.180223   0.232713   0.146301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/560/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064751  -0.033795  -0.061868
+    0SOL     H3    3   0.070527   0.033836  -0.055166
+    1SOL     O4    4   0.225767   0.138120  -0.071196
+    1SOL     H5    5   0.172651   0.206185  -0.112524
+    1SOL     H6    6   0.290297   0.114308  -0.137764
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/561/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027604   0.062244   0.067276
+    0SOL     H3    3  -0.031659   0.054774  -0.071832
+    1SOL     O4    4   0.122644   0.168701   0.163512
+    1SOL     H5    5   0.125768   0.244795   0.105527
+    1SOL     H6    6   0.210298   0.130651   0.157919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/562/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004942   0.019387   0.093606
+    0SOL     H3    3   0.090099   0.021402  -0.024216
+    1SOL     O4    4  -0.298537  -0.013525   0.148116
+    1SOL     H5    5  -0.365720  -0.081701   0.147216
+    1SOL     H6    6  -0.286748   0.009768   0.056024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/563/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021979   0.047377  -0.080216
+    0SOL     H3    3  -0.064862  -0.070220   0.004936
+    1SOL     O4    4  -0.253838   0.192564   0.043908
+    1SOL     H5    5  -0.330951   0.234129   0.082486
+    1SOL     H6    6  -0.196516   0.265511   0.020346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/564/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014438   0.003609  -0.094556
+    0SOL     H3    3   0.004013   0.091324   0.028393
+    1SOL     O4    4  -0.260718  -0.132373   0.061831
+    1SOL     H5    5  -0.263033  -0.218741   0.020629
+    1SOL     H6    6  -0.170778  -0.102153   0.049183
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/565/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069456   0.059525   0.028196
+    0SOL     H3    3  -0.045839  -0.080205  -0.025065
+    1SOL     O4    4   0.076482  -0.139950   0.228239
+    1SOL     H5    5   0.105939  -0.096520   0.148186
+    1SOL     H6    6   0.046142  -0.225938   0.199121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/566/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021505   0.092042   0.015102
+    0SOL     H3    3  -0.060374  -0.022468   0.070799
+    1SOL     O4    4  -0.061042   0.302400   0.017811
+    1SOL     H5    5  -0.136090   0.343086  -0.025489
+    1SOL     H6    6  -0.088038   0.293410   0.109204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/567/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026956  -0.031928   0.086118
+    0SOL     H3    3   0.034702   0.087635   0.016678
+    1SOL     O4    4  -0.207995   0.164703  -0.116556
+    1SOL     H5    5  -0.151646   0.107981  -0.063928
+    1SOL     H6    6  -0.290824   0.117135  -0.122788
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/568/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001988   0.013254  -0.094777
+    0SOL     H3    3   0.024212  -0.091967   0.010869
+    1SOL     O4    4   0.016337   0.023078  -0.291733
+    1SOL     H5    5   0.094226  -0.032205  -0.298019
+    1SOL     H6    6  -0.057034  -0.037679  -0.301091
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/569/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086665  -0.015945  -0.037380
+    0SOL     H3    3   0.004249   0.089742   0.033024
+    1SOL     O4    4   0.005995  -0.209506   0.160957
+    1SOL     H5    5  -0.003370  -0.149507   0.086966
+    1SOL     H6    6   0.028414  -0.293555   0.121012
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/570/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052227  -0.075099   0.028192
+    0SOL     H3    3   0.001950   0.059948   0.074597
+    1SOL     O4    4   0.216296   0.074378  -0.125497
+    1SOL     H5    5   0.266637   0.004068  -0.166543
+    1SOL     H6    6   0.156628   0.029403  -0.065671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/571/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006405   0.090474  -0.030591
+    0SOL     H3    3  -0.071360  -0.045547  -0.044672
+    1SOL     O4    4  -0.197850  -0.096457  -0.165345
+    1SOL     H5    5  -0.179430  -0.185588  -0.194989
+    1SOL     H6    6  -0.280690  -0.103577  -0.117919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/572/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079237   0.046530  -0.026812
+    0SOL     H3    3  -0.062455   0.016251  -0.070693
+    1SOL     O4    4   0.221880  -0.308716  -0.058682
+    1SOL     H5    5   0.232067  -0.277325  -0.148533
+    1SOL     H6    6   0.130273  -0.290998  -0.037312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/573/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030463  -0.044997  -0.078801
+    0SOL     H3    3  -0.093399  -0.020417   0.004704
+    1SOL     O4    4  -0.089764   0.227673   0.190886
+    1SOL     H5    5  -0.001415   0.219086   0.155067
+    1SOL     H6    6  -0.092243   0.315983   0.227730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/574/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087369  -0.028078   0.027216
+    0SOL     H3    3   0.007130   0.012241  -0.094666
+    1SOL     O4    4   0.214671  -0.072543   0.141703
+    1SOL     H5    5   0.276028  -0.137793   0.107940
+    1SOL     H6    6   0.168068  -0.117602   0.212131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/575/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047093   0.017745  -0.081423
+    0SOL     H3    3   0.075745  -0.051965  -0.026921
+    1SOL     O4    4  -0.204855  -0.098113   0.199429
+    1SOL     H5    5  -0.279079  -0.079261   0.142004
+    1SOL     H6    6  -0.129063  -0.062290   0.153227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/576/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028817  -0.090449   0.012285
+    0SOL     H3    3   0.046794  -0.000852  -0.083498
+    1SOL     O4    4   0.197185  -0.041220   0.204011
+    1SOL     H5    5   0.179079  -0.055904   0.111173
+    1SOL     H6    6   0.112635  -0.016249   0.241294
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/577/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030276  -0.032414  -0.084823
+    0SOL     H3    3   0.089050  -0.034104   0.008329
+    1SOL     O4    4  -0.013456  -0.235839   0.119033
+    1SOL     H5    5  -0.012092  -0.145005   0.088870
+    1SOL     H6    6   0.078685  -0.261634   0.121676
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/578/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083896  -0.045647   0.006332
+    0SOL     H3    3   0.021340   0.023626   0.090270
+    1SOL     O4    4   0.132567  -0.015617   0.236981
+    1SOL     H5    5   0.201189  -0.032267   0.172358
+    1SOL     H6    6   0.083622  -0.097741   0.241713
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017291   0.082166   0.045958
+    0SOL     H3    3   0.004054  -0.066987   0.068254
+    1SOL     O4    4  -0.094227  -0.103514  -0.215897
+    1SOL     H5    5  -0.043904  -0.071626  -0.140976
+    1SOL     H6    6  -0.185654  -0.090851  -0.190539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/580/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046582   0.021889  -0.080705
+    0SOL     H3    3   0.007110  -0.095217   0.006742
+    1SOL     O4    4   0.086352   0.054674  -0.249208
+    1SOL     H5    5   0.063496  -0.019769  -0.304869
+    1SOL     H6    6   0.123465   0.119162  -0.309427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/581/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076586  -0.025583   0.051404
+    0SOL     H3    3  -0.012469   0.093410  -0.016777
+    1SOL     O4    4  -0.041236   0.266010   0.095773
+    1SOL     H5    5  -0.013938   0.337416   0.038168
+    1SOL     H6    6  -0.133163   0.284497   0.115004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/582/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011238  -0.068772   0.065623
+    0SOL     H3    3  -0.077546   0.055280   0.009647
+    1SOL     O4    4  -0.133499  -0.300253   0.024408
+    1SOL     H5    5  -0.205524  -0.238775   0.038382
+    1SOL     H6    6  -0.110511  -0.289704  -0.067909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/583/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028599  -0.091346   0.000478
+    0SOL     H3    3   0.016921   0.020332   0.091993
+    1SOL     O4    4   0.248314   0.017579  -0.106858
+    1SOL     H5    5   0.251067  -0.044924  -0.179301
+    1SOL     H6    6   0.160421   0.007960  -0.070189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/584/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050541   0.051844  -0.062611
+    0SOL     H3    3   0.089449   0.001795  -0.034030
+    1SOL     O4    4   0.256730  -0.017005  -0.099852
+    1SOL     H5    5   0.276192  -0.101882  -0.139594
+    1SOL     H6    6   0.339855   0.011274  -0.061737
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/585/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022824   0.085669  -0.036087
+    0SOL     H3    3   0.081502  -0.050065  -0.003649
+    1SOL     O4    4   0.268461  -0.121955  -0.064497
+    1SOL     H5    5   0.217744  -0.193068  -0.103651
+    1SOL     H6    6   0.267819  -0.140857   0.029336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/586/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019213   0.091989   0.018200
+    0SOL     H3    3  -0.009700  -0.008228  -0.094871
+    1SOL     O4    4   0.317242   0.156810   0.051137
+    1SOL     H5    5   0.248841   0.215859   0.019564
+    1SOL     H6    6   0.346507   0.195842   0.133492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/587/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042964  -0.083515   0.018484
+    0SOL     H3    3  -0.046442   0.034522  -0.076248
+    1SOL     O4    4  -0.146917   0.083794  -0.246432
+    1SOL     H5    5  -0.136669   0.169788  -0.287204
+    1SOL     H6    6  -0.104095   0.023272  -0.306977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/588/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068874  -0.042463   0.051142
+    0SOL     H3    3   0.001985  -0.048490  -0.082505
+    1SOL     O4    4  -0.186236   0.265372   0.070513
+    1SOL     H5    5  -0.139838   0.189486   0.105880
+    1SOL     H6    6  -0.136130   0.340770   0.101607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/589/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085070  -0.027748   0.033993
+    0SOL     H3    3   0.056973   0.002307   0.076884
+    1SOL     O4    4  -0.058590  -0.320476  -0.079089
+    1SOL     H5    5  -0.129908  -0.273460  -0.122281
+    1SOL     H6    6   0.019779  -0.295375  -0.127983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/590/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019793   0.048472   0.080131
+    0SOL     H3    3   0.058377   0.057754  -0.049183
+    1SOL     O4    4  -0.230664  -0.191979   0.191798
+    1SOL     H5    5  -0.271262  -0.109496   0.165142
+    1SOL     H6    6  -0.232791  -0.189957   0.287473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/591/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002368  -0.058775   0.075513
+    0SOL     H3    3  -0.060506  -0.039297  -0.062906
+    1SOL     O4    4   0.214394   0.026312  -0.177213
+    1SOL     H5    5   0.135479   0.034246  -0.123624
+    1SOL     H6    6   0.182510   0.028981  -0.267427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/592/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019002   0.007005   0.093553
+    0SOL     H3    3  -0.025429  -0.091424  -0.012544
+    1SOL     O4    4   0.153159   0.046541   0.227007
+    1SOL     H5    5   0.157781   0.029757   0.321131
+    1SOL     H6    6   0.232704   0.006773   0.191603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/593/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090615  -0.026386   0.015968
+    0SOL     H3    3  -0.006539   0.087606   0.038010
+    1SOL     O4    4  -0.032420   0.236084   0.125894
+    1SOL     H5    5   0.018273   0.302567   0.079282
+    1SOL     H6    6  -0.112214   0.225988   0.073997
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/594/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091332  -0.028648   0.000266
+    0SOL     H3    3   0.001517   0.075890   0.058316
+    1SOL     O4    4  -0.197602   0.193659  -0.132003
+    1SOL     H5    5  -0.187884   0.228730  -0.043471
+    1SOL     H6    6  -0.290927   0.202674  -0.151277
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/595/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039653  -0.024621  -0.083569
+    0SOL     H3    3  -0.036129  -0.081688   0.034412
+    1SOL     O4    4   0.222428   0.092326   0.120703
+    1SOL     H5    5   0.168873   0.038833   0.062114
+    1SOL     H6    6   0.165420   0.110515   0.195413
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/596/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018136   0.025401  -0.090489
+    0SOL     H3    3   0.055478  -0.076544   0.015019
+    1SOL     O4    4   0.176174  -0.208911   0.062014
+    1SOL     H5    5   0.150930  -0.252846  -0.019194
+    1SOL     H6    6   0.210047  -0.279013   0.117698
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/597/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015325   0.026400  -0.090722
+    0SOL     H3    3   0.085170  -0.043650  -0.001768
+    1SOL     O4    4   0.178668  -0.211892   0.053653
+    1SOL     H5    5   0.138075  -0.228397   0.138753
+    1SOL     H6    6   0.255952  -0.159118   0.073759
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/598/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014516  -0.090965   0.026020
+    0SOL     H3    3  -0.056715  -0.005791  -0.076891
+    1SOL     O4    4  -0.238085   0.055939  -0.148270
+    1SOL     H5    5  -0.249881   0.150308  -0.159115
+    1SOL     H6    6  -0.273430   0.017936  -0.228699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/599/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017124   0.072962   0.059545
+    0SOL     H3    3  -0.039503   0.026923  -0.082928
+    1SOL     O4    4   0.087277  -0.241010  -0.046003
+    1SOL     H5    5   0.057212  -0.150429  -0.038689
+    1SOL     H6    6   0.154940  -0.238449  -0.113661
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/000/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052626  -0.052050   0.060693
+    0SOL     H3    3  -0.061225  -0.062688  -0.038523
+    1SOL     O4    4   0.167046   0.150800   0.181696
+    1SOL     H5    5   0.220132   0.074715   0.158132
+    1SOL     H6    6   0.106581   0.118164   0.248338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/001/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058771  -0.054347   0.052485
+    0SOL     H3    3  -0.052527  -0.062632  -0.049804
+    1SOL     O4    4   0.017742  -0.343162   0.011913
+    1SOL     H5    5  -0.046149  -0.296626   0.065900
+    1SOL     H6    6   0.068795  -0.273859  -0.029956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/002/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037626  -0.070353   0.052888
+    0SOL     H3    3  -0.050392  -0.045182  -0.067687
+    1SOL     O4    4  -0.331039  -0.005577  -0.021797
+    1SOL     H5    5  -0.283037  -0.072549   0.026916
+    1SOL     H6    6  -0.381105  -0.054596  -0.087011
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/003/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040044  -0.067712  -0.054533
+    0SOL     H3    3  -0.064652   0.041611  -0.057017
+    1SOL     O4    4  -0.155488  -0.130932   0.188701
+    1SOL     H5    5  -0.106072  -0.094011   0.115507
+    1SOL     H6    6  -0.220097  -0.188310   0.147522
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/004/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064061  -0.042880   0.056744
+    0SOL     H3    3   0.040491   0.066604   0.055559
+    1SOL     O4    4   0.165238  -0.158846  -0.162789
+    1SOL     H5    5   0.111591  -0.091934  -0.120280
+    1SOL     H6    6   0.207234  -0.113193  -0.235690
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/005/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068607   0.042098   0.051799
+    0SOL     H3    3   0.033583  -0.069495   0.056612
+    1SOL     O4    4  -0.317070   0.003589  -0.001718
+    1SOL     H5    5  -0.279657  -0.081760   0.020146
+    1SOL     H6    6  -0.384549  -0.015746  -0.066796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/006/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050703  -0.060310   0.054353
+    0SOL     H3    3  -0.044478  -0.056358  -0.063307
+    1SOL     O4    4  -0.182050  -0.174601  -0.174694
+    1SOL     H5    5  -0.128354  -0.219502  -0.239986
+    1SOL     H6    6  -0.229174  -0.107661  -0.224299
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/007/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047764  -0.073935  -0.037611
+    0SOL     H3    3   0.066253   0.049198   0.048502
+    1SOL     O4    4   0.161437   0.154302   0.142498
+    1SOL     H5    5   0.179865   0.077571   0.196673
+    1SOL     H6    6   0.247293   0.182717   0.111134
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/008/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021294   0.080280   0.047581
+    0SOL     H3    3   0.048536  -0.053143   0.063107
+    1SOL     O4    4   0.161532  -0.164210  -0.151429
+    1SOL     H5    5   0.115061  -0.106901  -0.212409
+    1SOL     H6    6   0.225677  -0.107185  -0.109051
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/009/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068264   0.048800  -0.046054
+    0SOL     H3    3   0.046504   0.066227   0.051124
+    1SOL     O4    4  -0.180031   0.162428   0.153413
+    1SOL     H5    5  -0.250909   0.200504   0.205267
+    1SOL     H6    6  -0.123399   0.119860   0.217780
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/010/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040464  -0.072758   0.047236
+    0SOL     H3    3  -0.074525  -0.039343  -0.045393
+    1SOL     O4    4  -0.344052  -0.004603  -0.007629
+    1SOL     H5    5  -0.284925  -0.054916   0.048361
+    1SOL     H6    6  -0.401372  -0.070290  -0.047152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/011/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058823  -0.063169  -0.041375
+    0SOL     H3    3   0.056752   0.051859   0.057028
+    1SOL     O4    4  -0.143332  -0.176342  -0.159262
+    1SOL     H5    5  -0.195718  -0.106069  -0.120794
+    1SOL     H6    6  -0.204210  -0.223119  -0.216430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/012/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067724   0.042029  -0.053004
+    0SOL     H3    3  -0.046361  -0.031514   0.077587
+    1SOL     O4    4   0.128131  -0.162308  -0.152032
+    1SOL     H5    5   0.096920  -0.110597  -0.077774
+    1SOL     H6    6   0.187142  -0.103476  -0.199135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/013/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049862   0.057823  -0.057729
+    0SOL     H3    3   0.064802   0.057204   0.041118
+    1SOL     O4    4   0.168510   0.154513  -0.149212
+    1SOL     H5    5   0.207481   0.227901  -0.196728
+    1SOL     H6    6   0.118132   0.107121  -0.215381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/014/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046664   0.048981   0.067718
+    0SOL     H3    3   0.050233   0.066347  -0.047297
+    1SOL     O4    4  -0.349559   0.003493   0.004737
+    1SOL     H5    5  -0.281134   0.062220  -0.027381
+    1SOL     H6    6  -0.375168  -0.047731  -0.071961
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059099   0.040235  -0.063646
+    0SOL     H3    3   0.063894  -0.047417  -0.053212
+    1SOL     O4    4  -0.183909  -0.151757  -0.183113
+    1SOL     H5    5  -0.111332  -0.132529  -0.242486
+    1SOL     H6    6  -0.241490  -0.209316  -0.233448
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055842  -0.056850  -0.053029
+    0SOL     H3    3  -0.025883   0.070425  -0.059437
+    1SOL     O4    4   0.167412  -0.145611  -0.161048
+    1SOL     H5    5   0.233687  -0.199074  -0.117326
+    1SOL     H6    6   0.217504  -0.086584  -0.217341
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052888   0.058702  -0.054030
+    0SOL     H3    3  -0.050435  -0.051591  -0.062905
+    1SOL     O4    4   0.162339   0.159917   0.145571
+    1SOL     H5    5   0.122463   0.244491   0.125088
+    1SOL     H6    6   0.097499   0.115396   0.200124
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068738   0.056536  -0.035229
+    0SOL     H3    3  -0.005321  -0.072769  -0.061957
+    1SOL     O4    4  -0.163574  -0.198675   0.178969
+    1SOL     H5    5  -0.210190  -0.148456   0.112130
+    1SOL     H6    6  -0.098526  -0.249092   0.130091
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078306  -0.026882   0.048040
+    0SOL     H3    3   0.033359   0.034988  -0.082615
+    1SOL     O4    4   0.170599  -0.181718   0.161428
+    1SOL     H5    5   0.227787  -0.238249   0.109504
+    1SOL     H6    6   0.230498  -0.124100   0.208910
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043437  -0.053006  -0.066827
+    0SOL     H3    3   0.070721   0.028074   0.058074
+    1SOL     O4    4  -0.324794   0.017692   0.010841
+    1SOL     H5    5  -0.375795   0.080865  -0.039857
+    1SOL     H6    6  -0.259904   0.070782   0.057027
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054162  -0.058288  -0.053210
+    0SOL     H3    3  -0.066160   0.033289  -0.060638
+    1SOL     O4    4   0.177117  -0.170823  -0.198934
+    1SOL     H5    5   0.240828  -0.206860  -0.137254
+    1SOL     H6    6   0.227845  -0.110654  -0.253421
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065028   0.044930  -0.053991
+    0SOL     H3    3  -0.049945  -0.034447   0.074036
+    1SOL     O4    4  -0.150429  -0.197529  -0.145734
+    1SOL     H5    5  -0.214575  -0.135460  -0.111164
+    1SOL     H6    6  -0.088974  -0.143417  -0.195307
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052101  -0.037475   0.071017
+    0SOL     H3    3   0.062522   0.051422  -0.051079
+    1SOL     O4    4   0.153097  -0.144801   0.165461
+    1SOL     H5    5   0.197472  -0.204428   0.105147
+    1SOL     H6    6   0.222520  -0.087458   0.197934
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+    6
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+    0SOL     H2    2   0.066698  -0.046887   0.050152
+    0SOL     H3    3   0.049318   0.063197  -0.052309
+    1SOL     O4    4   0.186129   0.159704   0.158383
+    1SOL     H5    5   0.247945   0.119722   0.097207
+    1SOL     H6    6   0.134406   0.219593   0.104527
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059228   0.051840  -0.054470
+    0SOL     H3    3   0.046109   0.064596   0.053513
+    1SOL     O4    4   0.149499  -0.185115   0.149902
+    1SOL     H5    5   0.099146  -0.138421   0.216585
+    1SOL     H6    6   0.178839  -0.116715   0.089712
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067039  -0.038666   0.056330
+    0SOL     H3    3   0.039920   0.068442   0.053707
+    1SOL     O4    4   0.165056  -0.154050   0.168388
+    1SOL     H5    5   0.204106  -0.230267   0.211147
+    1SOL     H6    6   0.096404  -0.190444   0.112490
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072037  -0.035841  -0.051850
+    0SOL     H3    3  -0.055271   0.045216  -0.063741
+    1SOL     O4    4   0.172125   0.147170   0.154986
+    1SOL     H5    5   0.132767   0.222021   0.199825
+    1SOL     H6    6   0.099215   0.086897   0.140373
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068357   0.032770  -0.058445
+    0SOL     H3    3  -0.040481  -0.074085   0.045111
+    1SOL     O4    4   0.186888   0.170218   0.186031
+    1SOL     H5    5   0.224796   0.092383   0.226863
+    1SOL     H6    6   0.126689   0.135798   0.120049
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052436  -0.051730  -0.061130
+    0SOL     H3    3  -0.052101   0.057649  -0.055897
+    1SOL     O4    4   0.186367   0.152762  -0.169264
+    1SOL     H5    5   0.139906   0.180381  -0.090265
+    1SOL     H6    6   0.124743   0.095097  -0.214425
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068088  -0.064193  -0.020141
+    0SOL     H3    3  -0.044073  -0.035224   0.077325
+    1SOL     O4    4  -0.194962  -0.151391  -0.153116
+    1SOL     H5    5  -0.139164  -0.117610  -0.223172
+    1SOL     H6    6  -0.261842  -0.202781  -0.198375
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056045   0.058017   0.051529
+    0SOL     H3    3   0.059208   0.059014  -0.046627
+    1SOL     O4    4  -0.151433  -0.154513   0.181268
+    1SOL     H5    5  -0.103496  -0.206874   0.117060
+    1SOL     H6    6  -0.221669  -0.113277   0.130980
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055473   0.057819  -0.052364
+    0SOL     H3    3  -0.042568  -0.056938  -0.064096
+    1SOL     O4    4  -0.009023  -0.325618  -0.021526
+    1SOL     H5    5   0.054676  -0.288696  -0.082693
+    1SOL     H6    6  -0.046563  -0.400312  -0.068151
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056503  -0.053178  -0.056052
+    0SOL     H3    3  -0.039264   0.064026  -0.059341
+    1SOL     O4    4  -0.169321  -0.171323  -0.179398
+    1SOL     H5    5  -0.228047  -0.117125  -0.126709
+    1SOL     H6    6  -0.123982  -0.109192  -0.236375
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043193  -0.051590   0.068082
+    0SOL     H3    3  -0.064281  -0.059740  -0.038228
+    1SOL     O4    4  -0.166062   0.153074   0.204509
+    1SOL     H5    5  -0.118163   0.091903   0.148597
+    1SOL     H6    6  -0.099143   0.190877   0.261563
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+    6
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+    0SOL     H2    2  -0.045860   0.060965   0.057814
+    0SOL     H3    3   0.073828   0.050365  -0.034280
+    1SOL     O4    4  -0.146851  -0.155175  -0.173395
+    1SOL     H5    5  -0.199530  -0.202109  -0.108707
+    1SOL     H6    6  -0.105255  -0.084627  -0.123846
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050487  -0.055770   0.059186
+    0SOL     H3    3  -0.060119  -0.060030  -0.044095
+    1SOL     O4    4   0.168612   0.159685   0.162383
+    1SOL     H5    5   0.102466   0.110944   0.211489
+    1SOL     H6    6   0.196261   0.229316   0.221960
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2   0.059546  -0.045228  -0.059758
+    0SOL     H3    3   0.056519   0.058426   0.050540
+    1SOL     O4    4   0.162471   0.164065  -0.163857
+    1SOL     H5    5   0.222224   0.216268  -0.217399
+    1SOL     H6    6   0.128629   0.097443  -0.223677
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062062   0.026741   0.067791
+    0SOL     H3    3   0.043681  -0.076971   0.036466
+    1SOL     O4    4   0.157533   0.150775   0.178643
+    1SOL     H5    5   0.197189   0.078598   0.129856
+    1SOL     H6    6   0.089627   0.109319   0.231865
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070523  -0.057109  -0.030453
+    0SOL     H3    3   0.034868   0.041102   0.079102
+    1SOL     O4    4  -0.137926   0.164531   0.171285
+    1SOL     H5    5  -0.195514   0.224547   0.218655
+    1SOL     H6    6  -0.196343   0.096282   0.138242
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068958   0.051065  -0.042422
+    0SOL     H3    3  -0.043773  -0.043126   0.073392
+    1SOL     O4    4   0.163377   0.157321   0.156685
+    1SOL     H5    5   0.104825   0.205095   0.215436
+    1SOL     H6    6   0.104987   0.103956   0.102787
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024582   0.065347  -0.065481
+    0SOL     H3    3  -0.059024  -0.059406  -0.046361
+    1SOL     O4    4  -0.159861   0.167571  -0.142889
+    1SOL     H5    5  -0.127238   0.108938  -0.211155
+    1SOL     H6    6  -0.220147   0.113630  -0.091719
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034346  -0.068097   0.057840
+    0SOL     H3    3  -0.052934  -0.047425  -0.064119
+    1SOL     O4    4  -0.163032  -0.158716  -0.184031
+    1SOL     H5    5  -0.111225  -0.229244  -0.222815
+    1SOL     H6    6  -0.221792  -0.202983  -0.122793
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033047   0.043698  -0.078490
+    0SOL     H3    3  -0.077320  -0.040534   0.039254
+    1SOL     O4    4  -0.020685   0.307793   0.012885
+    1SOL     H5    5  -0.068685   0.347398  -0.059846
+    1SOL     H6    6   0.010831   0.382203   0.064190
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2   0.049848   0.051445  -0.063489
+    0SOL     H3    3  -0.053154  -0.059043  -0.053394
+    1SOL     O4    4  -0.165908   0.166878   0.184829
+    1SOL     H5    5  -0.100595   0.132872   0.123672
+    1SOL     H6    6  -0.236187   0.200001   0.128918
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055622   0.036577  -0.068780
+    0SOL     H3    3  -0.056402  -0.062232   0.045917
+    1SOL     O4    4   0.179857   0.155804  -0.178296
+    1SOL     H5    5   0.110770   0.212665  -0.144296
+    1SOL     H6    6   0.214120   0.110844  -0.101049
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058868   0.041033   0.063349
+    0SOL     H3    3  -0.054569  -0.064241  -0.045361
+    1SOL     O4    4  -0.155818  -0.171565  -0.152336
+    1SOL     H5    5  -0.218547  -0.126102  -0.208554
+    1SOL     H6    6  -0.208924  -0.207462  -0.081248
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072547  -0.018936   0.059503
+    0SOL     H3    3   0.041969   0.034599  -0.078764
+    1SOL     O4    4  -0.192481   0.153727   0.156865
+    1SOL     H5    5  -0.149396   0.097136   0.092806
+    1SOL     H6    6  -0.248660   0.210844   0.104483
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046175   0.055934  -0.062462
+    0SOL     H3    3  -0.075086  -0.033679  -0.048889
+    1SOL     O4    4   0.193736   0.164452  -0.165955
+    1SOL     H5    5   0.245813   0.094909  -0.206130
+    1SOL     H6    6   0.254018   0.207676  -0.105457
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+    6
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+    0SOL     H2    2  -0.056639   0.059038  -0.049687
+    0SOL     H3    3   0.041865   0.056158   0.065237
+    1SOL     O4    4  -0.155385   0.168693  -0.156439
+    1SOL     H5    5  -0.193666   0.226532  -0.090472
+    1SOL     H6    6  -0.227898   0.112768  -0.184307
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+    6
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+    0SOL     H2    2   0.062644   0.043778  -0.057633
+    0SOL     H3    3  -0.043620  -0.064041  -0.056199
+    1SOL     O4    4   0.182043   0.166894  -0.153617
+    1SOL     H5    5   0.139569   0.229243  -0.212530
+    1SOL     H6    6   0.241903   0.220235  -0.101330
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+    6
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+    0SOL     H2    2  -0.061252   0.056575   0.047008
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+    1SOL     O4    4   0.166680  -0.156328  -0.168176
+    1SOL     H5    5   0.101154  -0.099058  -0.208034
+    1SOL     H6    6   0.115674  -0.225711  -0.126381
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042589   0.075097  -0.041338
+    0SOL     H3    3   0.059700   0.038563   0.064119
+    1SOL     O4    4   0.162573  -0.156341   0.176742
+    1SOL     H5    5   0.221785  -0.207593   0.231784
+    1SOL     H6    6   0.219292  -0.092624   0.133321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/053/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068233   0.040328   0.053668
+    0SOL     H3    3   0.037674  -0.067825   0.056061
+    1SOL     O4    4   0.165958  -0.192990  -0.159190
+    1SOL     H5    5   0.104806  -0.234507  -0.098370
+    1SOL     H6    6   0.216551  -0.132575  -0.104851
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/054/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046489  -0.051241   0.066147
+    0SOL     H3    3  -0.045403  -0.065230  -0.053348
+    1SOL     O4    4   0.005405  -0.336712   0.008314
+    1SOL     H5    5   0.052047  -0.413267   0.041872
+    1SOL     H6    6   0.062509  -0.301940  -0.060186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/055/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038224   0.057594   0.066213
+    0SOL     H3    3   0.069865  -0.046471   0.046061
+    1SOL     O4    4   0.180763   0.145899   0.149559
+    1SOL     H5    5   0.118284   0.202366   0.104059
+    1SOL     H6    6   0.242225   0.206531   0.190894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/056/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064827   0.043293   0.055547
+    0SOL     H3    3   0.050204   0.071737  -0.038675
+    1SOL     O4    4  -0.174346   0.164427  -0.154012
+    1SOL     H5    5  -0.126822   0.122823  -0.225935
+    1SOL     H6    6  -0.222289   0.236254  -0.195300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/057/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059031  -0.044336  -0.060926
+    0SOL     H3    3   0.058109   0.047038   0.059775
+    1SOL     O4    4   0.186321   0.163101  -0.158782
+    1SOL     H5    5   0.219461   0.224395  -0.224411
+    1SOL     H6    6   0.112164   0.120107  -0.201379
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/058/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053044  -0.037181   0.070471
+    0SOL     H3    3   0.069209   0.048413   0.045040
+    1SOL     O4    4   0.180087   0.180473   0.158636
+    1SOL     H5    5   0.233964   0.133456   0.222268
+    1SOL     H6    6   0.242238   0.234470   0.109811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/059/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048688   0.047620  -0.067262
+    0SOL     H3    3  -0.065392  -0.055992   0.041846
+    1SOL     O4    4  -0.003177  -0.026211  -0.367386
+    1SOL     H5    5   0.068280  -0.061300  -0.420537
+    1SOL     H6    6  -0.037693   0.046800  -0.418771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/060/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073754  -0.050913   0.033624
+    0SOL     H3    3  -0.040243  -0.056652  -0.065828
+    1SOL     O4    4   0.176041   0.158988   0.144866
+    1SOL     H5    5   0.131326   0.093270   0.198196
+    1SOL     H6    6   0.236908   0.201536   0.205258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/061/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055632   0.067299  -0.039221
+    0SOL     H3    3   0.062633   0.048798   0.053462
+    1SOL     O4    4   0.152385  -0.192768  -0.151369
+    1SOL     H5    5   0.116531  -0.131944  -0.086737
+    1SOL     H6    6   0.214356  -0.246471  -0.101995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/062/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056534  -0.063039  -0.044635
+    0SOL     H3    3   0.059096   0.048886   0.057272
+    1SOL     O4    4   0.131106   0.186847   0.159101
+    1SOL     H5    5   0.073597   0.238036   0.215975
+    1SOL     H6    6   0.187627   0.138513   0.219364
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/063/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046908  -0.065125   0.052161
+    0SOL     H3    3  -0.069292  -0.049577  -0.043624
+    1SOL     O4    4   0.148464  -0.176247  -0.158639
+    1SOL     H5    5   0.113242  -0.130787  -0.235157
+    1SOL     H6    6   0.196059  -0.108663  -0.110374
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/064/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068125  -0.052899   0.041510
+    0SOL     H3    3   0.047859   0.061098  -0.056025
+    1SOL     O4    4   0.165630   0.176055  -0.176939
+    1SOL     H5    5   0.235951   0.122598  -0.213813
+    1SOL     H6    6   0.210631   0.240739  -0.122596
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/065/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067643   0.034154   0.058483
+    0SOL     H3    3  -0.046671  -0.059895  -0.058281
+    1SOL     O4    4  -0.171740   0.187658  -0.183903
+    1SOL     H5    5  -0.110940   0.134255  -0.235029
+    1SOL     H6    6  -0.224773   0.124179  -0.135734
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/066/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049282   0.049301  -0.065597
+    0SOL     H3    3  -0.067997  -0.045152  -0.050001
+    1SOL     O4    4   0.135449  -0.153336  -0.177402
+    1SOL     H5    5   0.193448  -0.223878  -0.206077
+    1SOL     H6    6   0.082775  -0.192419  -0.107687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/067/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069137  -0.050315  -0.043021
+    0SOL     H3    3  -0.046216  -0.064067   0.054053
+    1SOL     O4    4   0.153307   0.180183   0.169819
+    1SOL     H5    5   0.178493   0.123149   0.242449
+    1SOL     H6    6   0.105649   0.122903   0.109737
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/068/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059196  -0.038044  -0.064890
+    0SOL     H3    3  -0.029099  -0.074526   0.052549
+    1SOL     O4    4  -0.190495   0.173259   0.189438
+    1SOL     H5    5  -0.124538   0.110331   0.218628
+    1SOL     H6    6  -0.243151   0.125009   0.125707
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/069/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031213  -0.078540  -0.044939
+    0SOL     H3    3   0.074773   0.029097   0.052198
+    1SOL     O4    4   0.158747   0.163677  -0.143142
+    1SOL     H5    5   0.209002   0.140322  -0.065095
+    1SOL     H6    6   0.102414   0.087925  -0.158969
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/070/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035167   0.055456   0.069644
+    0SOL     H3    3   0.053870  -0.064613   0.045667
+    1SOL     O4    4   0.157249   0.170444  -0.171218
+    1SOL     H5    5   0.216865   0.121514  -0.227911
+    1SOL     H6    6   0.113687   0.103374  -0.118622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/071/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049025  -0.053857  -0.062115
+    0SOL     H3    3   0.064671   0.061397   0.034790
+    1SOL     O4    4  -0.148503   0.181082  -0.161828
+    1SOL     H5    5  -0.104448   0.106167  -0.121716
+    1SOL     H6    6  -0.213732   0.142189  -0.220094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/072/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055202  -0.066617   0.040954
+    0SOL     H3    3   0.059231   0.028243   0.069687
+    1SOL     O4    4   0.152407  -0.166553  -0.177149
+    1SOL     H5    5   0.097265  -0.113181  -0.119938
+    1SOL     H6    6   0.090547  -0.218965  -0.228028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/073/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053070  -0.051665   0.060635
+    0SOL     H3    3   0.051329   0.057887   0.056363
+    1SOL     O4    4  -0.187571   0.177130   0.167278
+    1SOL     H5    5  -0.232879   0.231658   0.231592
+    1SOL     H6    6  -0.130429   0.120854   0.219528
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/074/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050188  -0.043022   0.069229
+    0SOL     H3    3   0.058744   0.059613   0.046451
+    1SOL     O4    4   0.162903   0.159123  -0.145326
+    1SOL     H5    5   0.204080   0.197847  -0.222574
+    1SOL     H6    6   0.093138   0.103823  -0.180498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/075/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029368  -0.062948  -0.065859
+    0SOL     H3    3  -0.071935   0.047026  -0.042145
+    1SOL     O4    4   0.149171  -0.152792  -0.187155
+    1SOL     H5    5   0.215154  -0.196361  -0.133208
+    1SOL     H6    6   0.199438  -0.094913  -0.244475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/076/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046672   0.055792   0.062220
+    0SOL     H3    3  -0.068665  -0.051873  -0.041913
+    1SOL     O4    4   0.171247  -0.164255   0.181729
+    1SOL     H5    5   0.122755  -0.096666   0.134374
+    1SOL     H6    6   0.237121  -0.115993   0.231666
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/077/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052905   0.036777  -0.070787
+    0SOL     H3    3  -0.055601  -0.067483   0.038947
+    1SOL     O4    4  -0.332701   0.015833  -0.004203
+    1SOL     H5    5  -0.380863   0.072998  -0.063994
+    1SOL     H6    6  -0.400054  -0.038982   0.036061
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/078/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020144  -0.070045   0.062050
+    0SOL     H3    3   0.085490   0.030176  -0.030711
+    1SOL     O4    4   0.152784   0.186214   0.178815
+    1SOL     H5    5   0.100812   0.134572   0.240413
+    1SOL     H6    6   0.216506   0.231979   0.233655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/079/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046772   0.054684  -0.063122
+    0SOL     H3    3  -0.059267  -0.052925  -0.053373
+    1SOL     O4    4   0.166075   0.173234  -0.153603
+    1SOL     H5    5   0.221705   0.128383  -0.217289
+    1SOL     H6    6   0.108833   0.228706  -0.206599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/080/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057634   0.036760   0.067003
+    0SOL     H3    3   0.036351   0.076326  -0.044891
+    1SOL     O4    4  -0.157181  -0.144760   0.182017
+    1SOL     H5    5  -0.101244  -0.183923   0.114937
+    1SOL     H6    6  -0.205852  -0.076499   0.135824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/081/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045591   0.055195  -0.063539
+    0SOL     H3    3  -0.067115  -0.060335   0.031899
+    1SOL     O4    4   0.168307  -0.174706   0.166107
+    1SOL     H5    5   0.109694  -0.118257   0.216508
+    1SOL     H6    6   0.109769  -0.229543   0.113872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/082/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056533   0.060887  -0.047530
+    0SOL     H3    3  -0.057526  -0.040447   0.064940
+    1SOL     O4    4  -0.173747   0.173467   0.185608
+    1SOL     H5    5  -0.127409   0.136499   0.260764
+    1SOL     H6    6  -0.229486   0.102201   0.154356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/083/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069262   0.062351   0.021852
+    0SOL     H3    3   0.057443   0.047902  -0.059733
+    1SOL     O4    4  -0.191932  -0.134166   0.176631
+    1SOL     H5    5  -0.124062  -0.161951   0.115118
+    1SOL     H6    6  -0.231924  -0.215764   0.206708
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020283  -0.062565   0.069545
+    0SOL     H3    3   0.065099   0.058572   0.038649
+    1SOL     O4    4   0.173049  -0.149578   0.161476
+    1SOL     H5    5   0.224231  -0.202988   0.222222
+    1SOL     H6    6   0.233526  -0.081103   0.132910
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030832   0.076259   0.048952
+    0SOL     H3    3  -0.079402  -0.049874  -0.019241
+    1SOL     O4    4  -0.162057   0.188496   0.161065
+    1SOL     H5    5  -0.236769   0.144155   0.201245
+    1SOL     H6    6  -0.115152   0.227913   0.234608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/086/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061863   0.045489  -0.057149
+    0SOL     H3    3   0.045201   0.070054   0.047028
+    1SOL     O4    4  -0.162646  -0.159222  -0.177062
+    1SOL     H5    5  -0.109708  -0.226338  -0.133989
+    1SOL     H6    6  -0.217996  -0.207862  -0.238159
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060119  -0.048513  -0.056520
+    0SOL     H3    3  -0.047842   0.057571  -0.059658
+    1SOL     O4    4  -0.156053   0.191693  -0.158838
+    1SOL     H5    5  -0.096103   0.223454  -0.226363
+    1SOL     H6    6  -0.205265   0.121549  -0.201503
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056204  -0.054087   0.055480
+    0SOL     H3    3   0.060856   0.054147  -0.050269
+    1SOL     O4    4  -0.173164   0.171683   0.194751
+    1SOL     H5    5  -0.100657   0.118630   0.161729
+    1SOL     H6    6  -0.199354   0.225628   0.120143
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033990   0.056828  -0.069120
+    0SOL     H3    3  -0.076966  -0.041609  -0.038823
+    1SOL     O4    4  -0.187968  -0.145101   0.162925
+    1SOL     H5    5  -0.129114  -0.201409   0.112646
+    1SOL     H6    6  -0.232342  -0.204630   0.223337
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057776   0.045861  -0.061000
+    0SOL     H3    3   0.039970  -0.069424  -0.052393
+    1SOL     O4    4   0.176899  -0.157058   0.179308
+    1SOL     H5    5   0.152236  -0.086876   0.239546
+    1SOL     H6    6   0.240449  -0.116709   0.120184
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061967   0.047144   0.055675
+    0SOL     H3    3   0.040684  -0.064098   0.058298
+    1SOL     O4    4   0.151489  -0.164702  -0.190440
+    1SOL     H5    5   0.104021  -0.232784  -0.142755
+    1SOL     H6    6   0.209751  -0.125868  -0.125173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/092/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044629  -0.069464  -0.048428
+    0SOL     H3    3   0.052295   0.011336   0.079367
+    1SOL     O4    4   0.167382   0.150207  -0.169108
+    1SOL     H5    5   0.225786   0.087654  -0.126231
+    1SOL     H6    6   0.100948   0.095860  -0.211479
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049771   0.048634   0.065726
+    0SOL     H3    3   0.072830  -0.038536   0.048714
+    1SOL     O4    4  -0.163109  -0.147930   0.182311
+    1SOL     H5    5  -0.111565  -0.208022   0.128511
+    1SOL     H6    6  -0.208787  -0.092353   0.119169
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077065   0.046817  -0.032116
+    0SOL     H3    3  -0.030595  -0.045675   0.078358
+    1SOL     O4    4  -0.165032  -0.147153   0.182175
+    1SOL     H5    5  -0.219825  -0.098170   0.243500
+    1SOL     H6    6  -0.119688  -0.211503   0.236631
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/095/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065646  -0.062243  -0.031286
+    0SOL     H3    3  -0.065644  -0.054277   0.043671
+    1SOL     O4    4  -0.005477  -0.023702   0.322698
+    1SOL     H5    5  -0.063772   0.023962   0.263604
+    1SOL     H6    6   0.045606   0.044548   0.366228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/096/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031383  -0.072358   0.054238
+    0SOL     H3    3   0.052635   0.053471   0.059437
+    1SOL     O4    4   0.175720  -0.147916   0.191283
+    1SOL     H5    5   0.123814  -0.189625   0.122519
+    1SOL     H6    6   0.241352  -0.096676   0.144069
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045829   0.056926   0.061818
+    0SOL     H3    3   0.057870  -0.053139   0.054677
+    1SOL     O4    4   0.165224  -0.155348   0.157749
+    1SOL     H5    5   0.097542  -0.206957   0.201544
+    1SOL     H6    6   0.221003  -0.123690   0.228804
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033192  -0.075719   0.048241
+    0SOL     H3    3   0.079731   0.025101   0.046639
+    1SOL     O4    4   0.159999  -0.183038  -0.154237
+    1SOL     H5    5   0.134866  -0.125077  -0.082326
+    1SOL     H6    6   0.199654  -0.258812  -0.111246
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055591   0.067660   0.038653
+    0SOL     H3    3  -0.057150  -0.045621  -0.061765
+    1SOL     O4    4   0.168513  -0.181256  -0.150888
+    1SOL     H5    5   0.233818  -0.215880  -0.211706
+    1SOL     H6    6   0.136081  -0.101757  -0.193201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/100/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072461  -0.037184   0.050290
+    0SOL     H3    3   0.032484   0.071856   0.054257
+    1SOL     O4    4  -0.189778  -0.138834  -0.165136
+    1SOL     H5    5  -0.253542  -0.096512  -0.107644
+    1SOL     H6    6  -0.144430  -0.201451  -0.108701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/101/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035571  -0.061878   0.063781
+    0SOL     H3    3  -0.062396  -0.051487  -0.051168
+    1SOL     O4    4   0.145117  -0.166780   0.178039
+    1SOL     H5    5   0.207187  -0.233963   0.149824
+    1SOL     H6    6   0.198250  -0.104135   0.227179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/102/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076078   0.047820  -0.032981
+    0SOL     H3    3   0.051782   0.066069   0.045998
+    1SOL     O4    4  -0.336902  -0.011628  -0.008405
+    1SOL     H5    5  -0.281683  -0.064754  -0.065770
+    1SOL     H6    6  -0.277882   0.018257   0.060775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/103/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051838   0.073923  -0.031787
+    0SOL     H3    3   0.061345   0.038781   0.062411
+    1SOL     O4    4   0.327343   0.012951   0.033271
+    1SOL     H5    5   0.371334  -0.046694  -0.027307
+    1SOL     H6    6   0.396789   0.070940   0.064527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/104/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024914   0.074936   0.054094
+    0SOL     H3    3   0.052864  -0.054890   0.057921
+    1SOL     O4    4   0.154934  -0.171506   0.152692
+    1SOL     H5    5   0.197875  -0.212117   0.077399
+    1SOL     H6    6   0.104760  -0.242444   0.192849
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/105/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053656   0.054622   0.057444
+    0SOL     H3    3   0.065754   0.059838  -0.035471
+    1SOL     O4    4  -0.157723   0.170280   0.167390
+    1SOL     H5    5  -0.225629   0.193317   0.103983
+    1SOL     H6    6  -0.200616   0.109266   0.227388
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/106/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049387  -0.066415  -0.048086
+    0SOL     H3    3   0.061285   0.032354   0.066028
+    1SOL     O4    4   0.172058   0.149691  -0.169440
+    1SOL     H5    5   0.126576   0.208410  -0.109059
+    1SOL     H6    6   0.207968   0.207554  -0.236706
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/107/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070875  -0.039652   0.050663
+    0SOL     H3    3   0.042553   0.069052  -0.050827
+    1SOL     O4    4  -0.164430  -0.183272   0.183848
+    1SOL     H5    5  -0.212352  -0.126831   0.123184
+    1SOL     H6    6  -0.232472  -0.224739   0.236886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/108/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063352   0.050930   0.050547
+    0SOL     H3    3  -0.049129  -0.030522  -0.076270
+    1SOL     O4    4  -0.139404   0.157694  -0.175542
+    1SOL     H5    5  -0.198202   0.130260  -0.105168
+    1SOL     H6    6  -0.096726   0.236459  -0.141823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/109/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048805  -0.071751   0.040401
+    0SOL     H3    3   0.067555   0.022154   0.064092
+    1SOL     O4    4  -0.168082   0.185664   0.154659
+    1SOL     H5    5  -0.119303   0.111616   0.190711
+    1SOL     H6    6  -0.101134   0.241637   0.115322
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/110/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079169   0.042421  -0.033090
+    0SOL     H3    3  -0.035635  -0.046631  -0.075618
+    1SOL     O4    4  -0.162854  -0.173984  -0.158604
+    1SOL     H5    5  -0.090609  -0.205640  -0.212834
+    1SOL     H6    6  -0.202107  -0.253340  -0.122215
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/111/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066056   0.059651   0.035225
+    0SOL     H3    3  -0.043355  -0.042988  -0.073720
+    1SOL     O4    4   0.151528   0.164679   0.166512
+    1SOL     H5    5   0.185280   0.096516   0.108401
+    1SOL     H6    6   0.229223   0.199696   0.210096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/112/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033940  -0.070083   0.055667
+    0SOL     H3    3   0.051899   0.054572   0.059082
+    1SOL     O4    4   0.172320  -0.167377  -0.144342
+    1SOL     H5    5   0.122691  -0.105807  -0.090412
+    1SOL     H6    6   0.238547  -0.113447  -0.187560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/113/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042018  -0.038191  -0.077060
+    0SOL     H3    3  -0.074082   0.049431  -0.035082
+    1SOL     O4    4   0.151620  -0.173800   0.180346
+    1SOL     H5    5   0.101514  -0.116422   0.238307
+    1SOL     H6    6   0.201255  -0.114021   0.124443
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/114/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066491  -0.063475   0.026685
+    0SOL     H3    3   0.046294   0.021715   0.080918
+    1SOL     O4    4   0.140224   0.142258   0.212413
+    1SOL     H5    5   0.216236   0.110178   0.260944
+    1SOL     H6    6   0.175388   0.210259   0.154953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/115/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066169  -0.044157  -0.053237
+    0SOL     H3    3  -0.047392  -0.071068   0.043192
+    1SOL     O4    4   0.170228   0.170762   0.167240
+    1SOL     H5    5   0.228491   0.128609   0.230413
+    1SOL     H6    6   0.119518   0.098813   0.129636
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/116/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051579   0.053185  -0.060608
+    0SOL     H3    3  -0.055763  -0.053491  -0.056494
+    1SOL     O4    4   0.182009   0.191211  -0.164187
+    1SOL     H5    5   0.129320   0.253609  -0.214113
+    1SOL     H6    6   0.217479   0.242469  -0.091546
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/117/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079913  -0.036981   0.037533
+    0SOL     H3    3   0.035728   0.055373   0.069424
+    1SOL     O4    4   0.171866   0.192087   0.171335
+    1SOL     H5    5   0.115059   0.261018   0.205742
+    1SOL     H6    6   0.213639   0.154508   0.248828
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/118/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064326   0.054985  -0.044733
+    0SOL     H3    3   0.045803   0.059831   0.059031
+    1SOL     O4    4  -0.007010  -0.311532  -0.016638
+    1SOL     H5    5  -0.048175  -0.235068  -0.056898
+    1SOL     H6    6  -0.080311  -0.367176   0.009687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/119/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045324  -0.053692   0.065002
+    0SOL     H3    3  -0.054745  -0.061905  -0.048302
+    1SOL     O4    4   0.155791  -0.177480  -0.155047
+    1SOL     H5    5   0.239065  -0.193114  -0.199583
+    1SOL     H6    6   0.116982  -0.103620  -0.201960
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073892   0.053742   0.028531
+    0SOL     H3    3  -0.038101  -0.062254  -0.061928
+    1SOL     O4    4   0.162008   0.183491  -0.191621
+    1SOL     H5    5   0.083322   0.144038  -0.154013
+    1SOL     H6    6   0.206776   0.223495  -0.117070
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/121/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054877  -0.059078   0.051581
+    0SOL     H3    3   0.061749   0.048255  -0.054962
+    1SOL     O4    4  -0.173515  -0.175777   0.158407
+    1SOL     H5    5  -0.241540  -0.210735   0.215963
+    1SOL     H6    6  -0.111041  -0.134015   0.217697
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063512  -0.021458  -0.068323
+    0SOL     H3    3  -0.055938  -0.077446   0.005947
+    1SOL     O4    4   0.019921  -0.030793   0.312905
+    1SOL     H5    5  -0.014985  -0.086718   0.382304
+    1SOL     H6    6   0.077220   0.030945   0.358376
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059943   0.026927  -0.069599
+    0SOL     H3    3   0.065894  -0.053377  -0.044398
+    1SOL     O4    4   0.177639  -0.152586   0.132720
+    1SOL     H5    5   0.112492  -0.105569   0.184755
+    1SOL     H6    6   0.235311  -0.193167   0.197447
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066745   0.062641   0.027992
+    0SOL     H3    3  -0.037690  -0.042373  -0.077113
+    1SOL     O4    4   0.160056  -0.154293   0.161490
+    1SOL     H5    5   0.217235  -0.221509   0.124412
+    1SOL     H6    6   0.120070  -0.112163   0.085408
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052580  -0.051077  -0.061553
+    0SOL     H3    3  -0.060253   0.049667  -0.055363
+    1SOL     O4    4   0.163190  -0.181147   0.150502
+    1SOL     H5    5   0.111551  -0.118206   0.200842
+    1SOL     H6    6   0.218987  -0.127120   0.094555
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/126/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047804   0.060092  -0.057149
+    0SOL     H3    3   0.043270   0.056811   0.063738
+    1SOL     O4    4   0.177260  -0.166273   0.177513
+    1SOL     H5    5   0.124966  -0.098136   0.219763
+    1SOL     H6    6   0.114744  -0.214304   0.123225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/127/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082514   0.021687  -0.043398
+    0SOL     H3    3  -0.022877  -0.069527   0.061684
+    1SOL     O4    4  -0.221490   0.145338   0.191907
+    1SOL     H5    5  -0.157073   0.094875   0.241567
+    1SOL     H6    6  -0.170115   0.212918   0.147682
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/128/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035316   0.067805   0.057598
+    0SOL     H3    3   0.022762   0.046411  -0.080562
+    1SOL     O4    4   0.159194   0.183948   0.135632
+    1SOL     H5    5   0.208796   0.114274   0.092650
+    1SOL     H6    6   0.224544   0.232224   0.186238
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/129/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061736  -0.041262   0.060402
+    0SOL     H3    3   0.052564   0.057872   0.055228
+    1SOL     O4    4   0.151279   0.155256   0.163407
+    1SOL     H5    5   0.082844   0.205264   0.207885
+    1SOL     H6    6   0.205364   0.221533   0.120460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/130/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048863  -0.015499   0.080836
+    0SOL     H3    3   0.004364  -0.083262  -0.047019
+    1SOL     O4    4   0.163033   0.167749  -0.141132
+    1SOL     H5    5   0.109691   0.209864  -0.208535
+    1SOL     H6    6   0.116141   0.086904  -0.120455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/131/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050934   0.019174  -0.078743
+    0SOL     H3    3  -0.079836  -0.041554  -0.032587
+    1SOL     O4    4   0.161438  -0.179523   0.131933
+    1SOL     H5    5   0.244407  -0.184176   0.084426
+    1SOL     H6    6   0.110826  -0.112943   0.085373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/132/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050486  -0.051536   0.062909
+    0SOL     H3    3   0.067729   0.042478   0.052637
+    1SOL     O4    4   0.172916   0.163358   0.184971
+    1SOL     H5    5   0.117131   0.212046   0.245633
+    1SOL     H6    6   0.246191   0.133217   0.238678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/133/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066278  -0.049547  -0.048110
+    0SOL     H3    3   0.050223   0.057039   0.058194
+    1SOL     O4    4   0.164807   0.192778   0.189752
+    1SOL     H5    5   0.202285   0.123822   0.244550
+    1SOL     H6    6   0.235291   0.216514   0.129495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/134/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056852  -0.059922  -0.048368
+    0SOL     H3    3  -0.043589  -0.055335   0.064810
+    1SOL     O4    4   0.189094  -0.147141  -0.151499
+    1SOL     H5    5   0.257075  -0.195488  -0.104557
+    1SOL     H6    6   0.237098  -0.083057  -0.203951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/135/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045742  -0.040633  -0.073613
+    0SOL     H3    3  -0.058621   0.063918  -0.040502
+    1SOL     O4    4   0.168516   0.152477   0.201517
+    1SOL     H5    5   0.103405   0.212059   0.238569
+    1SOL     H6    6   0.122211   0.107122   0.131082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/136/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055270   0.049382   0.060572
+    0SOL     H3    3   0.056188  -0.052989   0.056546
+    1SOL     O4    4  -0.158681  -0.151380   0.183162
+    1SOL     H5    5  -0.213353  -0.092975   0.130605
+    1SOL     H6    6  -0.213949  -0.175574   0.257475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/137/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057984  -0.050094  -0.057365
+    0SOL     H3    3   0.047572   0.081269   0.017161
+    1SOL     O4    4   0.183506  -0.170631   0.138306
+    1SOL     H5    5   0.132935  -0.108636   0.190855
+    1SOL     H6    6   0.119135  -0.210636   0.079840
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/138/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053554  -0.059607  -0.052357
+    0SOL     H3    3  -0.069498  -0.055282   0.035725
+    1SOL     O4    4   0.014584   0.002602  -0.313565
+    1SOL     H5    5   0.079433  -0.040758  -0.369034
+    1SOL     H6    6   0.065731   0.062519  -0.259193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/139/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078458  -0.046778   0.028611
+    0SOL     H3    3   0.033411   0.076226  -0.047283
+    1SOL     O4    4   0.181425  -0.172160   0.167365
+    1SOL     H5    5   0.115336  -0.213426   0.222968
+    1SOL     H6    6   0.215396  -0.099853   0.220091
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/140/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078460   0.029589   0.046162
+    0SOL     H3    3   0.050301  -0.047480   0.066165
+    1SOL     O4    4  -0.013074  -0.000790  -0.299516
+    1SOL     H5    5   0.052811  -0.055487  -0.256740
+    1SOL     H6    6  -0.068080  -0.062644  -0.347586
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/141/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.041361  -0.082238  -0.026239
+    0SOL     H3    3   0.055873  -0.023777   0.073995
+    1SOL     O4    4   0.164551   0.127601  -0.145171
+    1SOL     H5    5   0.116682   0.177491  -0.211366
+    1SOL     H6    6   0.098857   0.069586  -0.106686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/142/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063907  -0.050095  -0.050683
+    0SOL     H3    3  -0.051582  -0.066331   0.045845
+    1SOL     O4    4  -0.147316  -0.177591  -0.155203
+    1SOL     H5    5  -0.111491  -0.241644  -0.093753
+    1SOL     H6    6  -0.073814  -0.155486  -0.212396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/143/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066778   0.068067   0.008365
+    0SOL     H3    3   0.061176   0.034275  -0.065154
+    1SOL     O4    4  -0.029473  -0.015358   0.325387
+    1SOL     H5    5   0.048695   0.033226   0.299087
+    1SOL     H6    6  -0.060710  -0.056112   0.244606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/144/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060380   0.031199   0.067403
+    0SOL     H3    3   0.045670  -0.073529   0.040866
+    1SOL     O4    4  -0.189693  -0.195214  -0.151278
+    1SOL     H5    5  -0.138959  -0.237586  -0.220509
+    1SOL     H6    6  -0.124418  -0.149541  -0.098216
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/145/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053843   0.064278  -0.046169
+    0SOL     H3    3   0.060378   0.052545   0.052496
+    1SOL     O4    4   0.143378  -0.156416   0.180651
+    1SOL     H5    5   0.196973  -0.235188   0.189867
+    1SOL     H6    6   0.096447  -0.168837   0.098155
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/146/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051925   0.067922   0.043042
+    0SOL     H3    3   0.036547   0.043084  -0.077268
+    1SOL     O4    4   0.140372   0.169427   0.179198
+    1SOL     H5    5   0.184914   0.115178   0.114119
+    1SOL     H6    6   0.066750   0.208143   0.131834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/147/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040742   0.061105   0.061389
+    0SOL     H3    3   0.003392   0.047872  -0.082819
+    1SOL     O4    4  -0.148459  -0.179932   0.160182
+    1SOL     H5    5  -0.167647  -0.109662   0.098082
+    1SOL     H6    6  -0.232167  -0.197506   0.203151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/148/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059378  -0.057402   0.048390
+    0SOL     H3    3   0.043243   0.052237   0.067555
+    1SOL     O4    4  -0.163264   0.148676   0.158784
+    1SOL     H5    5  -0.196611   0.224188   0.207243
+    1SOL     H6    6  -0.105134   0.186328   0.092711
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/149/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054238  -0.057818  -0.053644
+    0SOL     H3    3  -0.066810   0.032869  -0.060154
+    1SOL     O4    4  -0.156923  -0.187745  -0.153616
+    1SOL     H5    5  -0.084994  -0.249653  -0.141128
+    1SOL     H6    6  -0.128054  -0.131613  -0.225575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/150/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010111  -0.055518   0.077317
+    0SOL     H3    3   0.094619   0.010928  -0.009491
+    1SOL     O4    4  -0.167160   0.180715   0.182348
+    1SOL     H5    5  -0.121756   0.126361   0.117956
+    1SOL     H6    6  -0.212487   0.118157   0.238867
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/151/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069921  -0.033398   0.056196
+    0SOL     H3    3   0.044090   0.060187  -0.059966
+    1SOL     O4    4  -0.160253  -0.189201  -0.172327
+    1SOL     H5    5  -0.208357  -0.110021  -0.196389
+    1SOL     H6    6  -0.107529  -0.163223  -0.096779
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/152/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062620   0.060242  -0.040149
+    0SOL     H3    3  -0.048867  -0.041594   0.071023
+    1SOL     O4    4  -0.181594   0.175846  -0.150966
+    1SOL     H5    5  -0.163573   0.255251  -0.201290
+    1SOL     H6    6  -0.247735   0.129414  -0.202266
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/153/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038836   0.057434  -0.065996
+    0SOL     H3    3  -0.074678  -0.044662   0.039886
+    1SOL     O4    4   0.161688   0.158205   0.165770
+    1SOL     H5    5   0.115710   0.218519   0.224170
+    1SOL     H6    6   0.095586   0.131623   0.101847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/154/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042385  -0.073923  -0.043604
+    0SOL     H3    3   0.065034   0.031267   0.062891
+    1SOL     O4    4   0.013979  -0.008823  -0.299686
+    1SOL     H5    5  -0.006079  -0.081161  -0.240296
+    1SOL     H6    6   0.070381   0.049238  -0.248597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/155/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057332  -0.056387   0.051923
+    0SOL     H3    3   0.042503   0.056744   0.064311
+    1SOL     O4    4  -0.193043  -0.180798  -0.128789
+    1SOL     H5    5  -0.241826  -0.141801  -0.056251
+    1SOL     H6    6  -0.140119  -0.249345  -0.088013
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/156/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074474   0.038898  -0.045858
+    0SOL     H3    3  -0.042826  -0.054696  -0.065852
+    1SOL     O4    4  -0.162039   0.164099  -0.176173
+    1SOL     H5    5  -0.111546   0.109682  -0.236601
+    1SOL     H6    6  -0.096189   0.215410  -0.129341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/157/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069739  -0.049949  -0.042471
+    0SOL     H3    3  -0.046971   0.041784  -0.072181
+    1SOL     O4    4  -0.013318  -0.014045   0.321088
+    1SOL     H5    5  -0.054829   0.058686   0.274725
+    1SOL     H6    6   0.042405   0.027946   0.386617
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/158/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028883  -0.058085   0.070386
+    0SOL     H3    3  -0.080818  -0.039818  -0.032332
+    1SOL     O4    4   0.183451  -0.185720  -0.152553
+    1SOL     H5    5   0.120644  -0.146226  -0.213032
+    1SOL     H6    6   0.236299  -0.112219  -0.121455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/159/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052201   0.030084   0.074380
+    0SOL     H3    3   0.042880  -0.079606   0.031408
+    1SOL     O4    4   0.184795   0.165101  -0.138256
+    1SOL     H5    5   0.126452   0.214136  -0.196170
+    1SOL     H6    6   0.126072   0.112481  -0.083986
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/160/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056991  -0.044772   0.062528
+    0SOL     H3    3  -0.055175  -0.069376  -0.036125
+    1SOL     O4    4  -0.152203  -0.144437  -0.198622
+    1SOL     H5    5  -0.099223  -0.204879  -0.250605
+    1SOL     H6    6  -0.199160  -0.091883  -0.263395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/161/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066034  -0.057210  -0.039100
+    0SOL     H3    3  -0.044506  -0.055177   0.064320
+    1SOL     O4    4  -0.171782   0.173355   0.173512
+    1SOL     H5    5  -0.125283   0.109620   0.227715
+    1SOL     H6    6  -0.102514   0.226071   0.133696
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/162/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079105   0.048001   0.024507
+    0SOL     H3    3   0.042526   0.055571  -0.065312
+    1SOL     O4    4   0.139756  -0.145408   0.192932
+    1SOL     H5    5   0.095029  -0.093493   0.126099
+    1SOL     H6    6   0.211918  -0.187563   0.146264
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073375  -0.013655   0.059932
+    0SOL     H3    3   0.047213   0.074829   0.036523
+    1SOL     O4    4   0.151950  -0.159498  -0.165191
+    1SOL     H5    5   0.109410  -0.112099  -0.093734
+    1SOL     H6    6   0.080591  -0.205730  -0.209154
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042945  -0.055086  -0.065449
+    0SOL     H3    3   0.071601   0.047776   0.041869
+    1SOL     O4    4   0.174246   0.183162  -0.153327
+    1SOL     H5    5   0.121143   0.254957  -0.118860
+    1SOL     H6    6   0.223914   0.222381  -0.225142
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055009   0.061110  -0.049010
+    0SOL     H3    3   0.055418   0.055941   0.054422
+    1SOL     O4    4   0.012053  -0.334574   0.015312
+    1SOL     H5    5   0.081523  -0.375750  -0.036076
+    1SOL     H6    6  -0.056318  -0.314408  -0.048572
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045182  -0.048740  -0.068887
+    0SOL     H3    3  -0.023211  -0.066294   0.065028
+    1SOL     O4    4   0.166713  -0.158039  -0.152251
+    1SOL     H5    5   0.222833  -0.211278  -0.095874
+    1SOL     H6    6   0.118985  -0.221635  -0.205542
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035746  -0.073326   0.050078
+    0SOL     H3    3   0.074256   0.032958  -0.050617
+    1SOL     O4    4  -0.157713   0.152613   0.170076
+    1SOL     H5    5  -0.096498   0.090245   0.131020
+    1SOL     H6    6  -0.215276   0.098872   0.224489
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019534   0.077664  -0.052431
+    0SOL     H3    3  -0.058950  -0.051771  -0.054837
+    1SOL     O4    4  -0.008528   0.009239  -0.314710
+    1SOL     H5    5  -0.050087   0.074289  -0.258109
+    1SOL     H6    6  -0.076771  -0.015320  -0.377177
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070113  -0.046368   0.045787
+    0SOL     H3    3   0.040660   0.054547   0.067332
+    1SOL     O4    4  -0.122610   0.167849  -0.166606
+    1SOL     H5    5  -0.099807   0.088950  -0.117441
+    1SOL     H6    6  -0.212563   0.152846  -0.195686
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056201  -0.046376   0.062073
+    0SOL     H3    3   0.038122   0.071515   0.050938
+    1SOL     O4    4  -0.184566  -0.158455   0.168249
+    1SOL     H5    5  -0.253683  -0.116810   0.219736
+    1SOL     H6    6  -0.130839  -0.204310   0.232849
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047417  -0.057678   0.059893
+    0SOL     H3    3  -0.083892  -0.043858  -0.014173
+    1SOL     O4    4   0.145083   0.172676  -0.141819
+    1SOL     H5    5   0.082047   0.230663  -0.184555
+    1SOL     H6    6   0.093320   0.124134  -0.077581
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071588   0.038156  -0.050809
+    0SOL     H3    3  -0.043558  -0.050233   0.068860
+    1SOL     O4    4   0.167380  -0.185036   0.166546
+    1SOL     H5    5   0.127078  -0.128944   0.232816
+    1SOL     H6    6   0.224023  -0.126247   0.116569
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065367  -0.056599  -0.041061
+    0SOL     H3    3   0.046764   0.042389   0.071963
+    1SOL     O4    4  -0.170560   0.167099  -0.187014
+    1SOL     H5    5  -0.122669   0.097903  -0.141400
+    1SOL     H6    6  -0.105885   0.236444  -0.200083
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056745   0.062616  -0.044963
+    0SOL     H3    3  -0.060359  -0.058551   0.045727
+    1SOL     O4    4   0.028206  -0.001260   0.324079
+    1SOL     H5    5   0.079351  -0.064513   0.273625
+    1SOL     H6    6  -0.061651  -0.033921   0.319467
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066294   0.056463  -0.039741
+    0SOL     H3    3  -0.039368  -0.046447  -0.073859
+    1SOL     O4    4  -0.155618  -0.181358   0.192687
+    1SOL     H5    5  -0.114954  -0.219927   0.115091
+    1SOL     H6    6  -0.223831  -0.243737   0.217550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/176/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067503  -0.059874  -0.031949
+    0SOL     H3    3  -0.075776  -0.017247  -0.055882
+    1SOL     O4    4  -0.018340  -0.041421   0.324576
+    1SOL     H5    5  -0.061795   0.003113   0.251839
+    1SOL     H6    6   0.042160   0.023784   0.359937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/177/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053816   0.008896   0.078657
+    0SOL     H3    3  -0.042518  -0.085228   0.009524
+    1SOL     O4    4  -0.164964  -0.181446  -0.158317
+    1SOL     H5    5  -0.213487  -0.107400  -0.194720
+    1SOL     H6    6  -0.231534  -0.234686  -0.114772
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078110   0.049782   0.024144
+    0SOL     H3    3   0.041266   0.052036  -0.068932
+    1SOL     O4    4  -0.170933   0.154442  -0.186101
+    1SOL     H5    5  -0.114042   0.104056  -0.244299
+    1SOL     H6    6  -0.200196   0.228440  -0.239301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/179/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051645   0.064314   0.048569
+    0SOL     H3    3  -0.064099  -0.064307  -0.030303
+    1SOL     O4    4   0.170846  -0.188695  -0.145863
+    1SOL     H5    5   0.238949  -0.241396  -0.187660
+    1SOL     H6    6   0.122552  -0.149717  -0.218737
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047104  -0.061332  -0.056408
+    0SOL     H3    3   0.067483   0.036840   0.057020
+    1SOL     O4    4   0.178483  -0.166912   0.171920
+    1SOL     H5    5   0.119964  -0.117497   0.229332
+    1SOL     H6    6   0.123269  -0.235790   0.134913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/181/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046511   0.052929  -0.064789
+    0SOL     H3    3  -0.068372  -0.052410   0.041724
+    1SOL     O4    4   0.143429  -0.184520  -0.166176
+    1SOL     H5    5   0.076762  -0.127037  -0.128580
+    1SOL     H6    6   0.095877  -0.238122  -0.229642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/182/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059011  -0.061073  -0.044159
+    0SOL     H3    3  -0.056262   0.033673  -0.069735
+    1SOL     O4    4  -0.182277  -0.164797   0.124388
+    1SOL     H5    5  -0.112235  -0.210249   0.171191
+    1SOL     H6    6  -0.139481  -0.088685   0.085176
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/183/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034719  -0.056703  -0.068860
+    0SOL     H3    3  -0.056290  -0.057248   0.052119
+    1SOL     O4    4   0.156287  -0.162738   0.173796
+    1SOL     H5    5   0.200373  -0.089684   0.130416
+    1SOL     H6    6   0.105443  -0.204708   0.104400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/184/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046690   0.038054  -0.074393
+    0SOL     H3    3  -0.054045  -0.069061  -0.038367
+    1SOL     O4    4  -0.148248   0.175198  -0.166237
+    1SOL     H5    5  -0.197597   0.230102  -0.227167
+    1SOL     H6    6  -0.215070   0.124608  -0.120001
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/185/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033706  -0.059207  -0.067236
+    0SOL     H3    3  -0.050612  -0.056411   0.058468
+    1SOL     O4    4   0.122816   0.192518   0.138431
+    1SOL     H5    5   0.175529   0.234882   0.070689
+    1SOL     H6    6   0.071957   0.126433   0.091438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/186/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052096   0.052926   0.060392
+    0SOL     H3    3   0.040670   0.063681  -0.058762
+    1SOL     O4    4  -0.166702   0.172302  -0.173919
+    1SOL     H5    5  -0.242262   0.190811  -0.229690
+    1SOL     H6    6  -0.196324   0.102201  -0.115862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/187/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037589  -0.064713   0.059679
+    0SOL     H3    3  -0.062543  -0.049572  -0.052852
+    1SOL     O4    4  -0.158038  -0.158921   0.158548
+    1SOL     H5    5  -0.219361  -0.111682   0.102242
+    1SOL     H6    6  -0.213807  -0.208022   0.218890
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/188/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007252  -0.085908  -0.041588
+    0SOL     H3    3  -0.055463   0.050744  -0.059256
+    1SOL     O4    4  -0.179585   0.138122   0.165501
+    1SOL     H5    5  -0.122947   0.087074   0.223367
+    1SOL     H6    6  -0.125004   0.211428   0.137049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/189/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053380   0.046303   0.064567
+    0SOL     H3    3   0.042100  -0.070222   0.049586
+    1SOL     O4    4  -0.021049   0.009387   0.323909
+    1SOL     H5    5  -0.068122   0.074697   0.375688
+    1SOL     H6    6   0.003510  -0.058185   0.387101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/190/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044501  -0.074850   0.039742
+    0SOL     H3    3  -0.056265  -0.038451  -0.067216
+    1SOL     O4    4  -0.182333   0.150978  -0.145111
+    1SOL     H5    5  -0.121208   0.113113  -0.208297
+    1SOL     H6    6  -0.126503   0.196057  -0.081761
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/191/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075625  -0.025030  -0.053072
+    0SOL     H3    3  -0.063522   0.033753  -0.063151
+    1SOL     O4    4   0.190598   0.164148  -0.157339
+    1SOL     H5    5   0.258502   0.100853  -0.133992
+    1SOL     H6    6   0.126560   0.113361  -0.207161
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042772   0.073664   0.043664
+    0SOL     H3    3  -0.064522  -0.030973  -0.063560
+    1SOL     O4    4  -0.147480  -0.175506   0.150074
+    1SOL     H5    5  -0.224008  -0.196258   0.203694
+    1SOL     H6    6  -0.105217  -0.102750   0.195712
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040675   0.070197   0.050796
+    0SOL     H3    3   0.054126   0.045384  -0.064599
+    1SOL     O4    4   0.006457  -0.315601  -0.021728
+    1SOL     H5    5  -0.066847  -0.265429   0.013932
+    1SOL     H6    6   0.030989  -0.375603   0.048702
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059282  -0.060044  -0.045197
+    0SOL     H3    3  -0.053063  -0.056447   0.056217
+    1SOL     O4    4   0.189520   0.169235  -0.175765
+    1SOL     H5    5   0.242462   0.227463  -0.230253
+    1SOL     H6    6   0.137947   0.118229  -0.238223
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043010  -0.052681  -0.067359
+    0SOL     H3    3  -0.059429   0.057193  -0.048574
+    1SOL     O4    4   0.128380   0.188009  -0.193739
+    1SOL     H5    5   0.082795   0.231896  -0.121918
+    1SOL     H6    6   0.200314   0.141133  -0.151424
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060169  -0.051878   0.053392
+    0SOL     H3    3  -0.055277  -0.064794  -0.043687
+    1SOL     O4    4  -0.160511  -0.141657   0.178489
+    1SOL     H5    5  -0.097292  -0.203628   0.142086
+    1SOL     H6    6  -0.217723  -0.195229   0.233435
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051288  -0.066339   0.046163
+    0SOL     H3    3  -0.043959  -0.048134  -0.070093
+    1SOL     O4    4  -0.183994  -0.156584  -0.187755
+    1SOL     H5    5  -0.139003  -0.208157  -0.254676
+    1SOL     H6    6  -0.258543  -0.117708  -0.233508
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080564  -0.029906   0.042159
+    0SOL     H3    3  -0.045212  -0.080516  -0.025206
+    1SOL     O4    4  -0.144340  -0.145936   0.209969
+    1SOL     H5    5  -0.098203  -0.218636   0.168155
+    1SOL     H6    6  -0.223779  -0.185427   0.245917
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053914   0.044966  -0.065067
+    0SOL     H3    3  -0.065696  -0.046841  -0.051501
+    1SOL     O4    4   0.171864   0.148958  -0.146176
+    1SOL     H5    5   0.123967   0.190001  -0.218174
+    1SOL     H6    6   0.235166   0.215247  -0.118593
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083300  -0.034543  -0.032096
+    0SOL     H3    3   0.024185   0.056991   0.073003
+    1SOL     O4    4  -0.161858  -0.168261  -0.177325
+    1SOL     H5    5  -0.221797  -0.101509  -0.143951
+    1SOL     H6    6  -0.126724  -0.210355  -0.098865
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061596   0.048558   0.054867
+    0SOL     H3    3  -0.049201  -0.019635  -0.079725
+    1SOL     O4    4   0.004724  -0.311437   0.002850
+    1SOL     H5    5  -0.052632  -0.262610   0.061914
+    1SOL     H6    6   0.049612  -0.244030  -0.048176
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051693   0.057374   0.056554
+    0SOL     H3    3  -0.064267  -0.040613  -0.058160
+    1SOL     O4    4   0.140530   0.138049  -0.193670
+    1SOL     H5    5   0.075468   0.182712  -0.247841
+    1SOL     H6    6   0.089804   0.099102  -0.122450
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/203/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067388  -0.051500  -0.044373
+    0SOL     H3    3  -0.033272   0.059195  -0.067463
+    1SOL     O4    4   0.176543   0.151187  -0.182036
+    1SOL     H5    5   0.233675   0.224166  -0.205961
+    1SOL     H6    6   0.128188   0.131281  -0.262210
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045882   0.066815   0.050921
+    0SOL     H3    3  -0.065509  -0.032159  -0.061941
+    1SOL     O4    4  -0.192894   0.143747   0.158005
+    1SOL     H5    5  -0.227565   0.203440   0.091696
+    1SOL     H6    6  -0.270524   0.108642   0.201636
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055642   0.061689   0.047548
+    0SOL     H3    3   0.059523   0.055386  -0.050515
+    1SOL     O4    4   0.203685   0.148383   0.179828
+    1SOL     H5    5   0.276420   0.150430   0.242018
+    1SOL     H6    6   0.239208   0.104024   0.102804
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087184  -0.034944   0.018445
+    0SOL     H3    3   0.015511   0.072444  -0.060611
+    1SOL     O4    4  -0.007057  -0.346465  -0.017215
+    1SOL     H5    5  -0.047475  -0.285548   0.044573
+    1SOL     H6    6   0.057510  -0.293681  -0.064197
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024920  -0.073112  -0.056533
+    0SOL     H3    3  -0.086392  -0.023959   0.033537
+    1SOL     O4    4   0.159275  -0.184511   0.120386
+    1SOL     H5    5   0.201820  -0.123986   0.059649
+    1SOL     H6    6   0.098166  -0.234146   0.065940
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050095   0.048575   0.065523
+    0SOL     H3    3   0.029392   0.066705  -0.062039
+    1SOL     O4    4  -0.348432   0.004623  -0.006480
+    1SOL     H5    5  -0.419582   0.055488   0.032413
+    1SOL     H6    6  -0.315551  -0.049455   0.065330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/209/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069662   0.015683   0.063746
+    0SOL     H3    3  -0.002273   0.076593  -0.057365
+    1SOL     O4    4  -0.169346  -0.158237   0.142853
+    1SOL     H5    5  -0.136731  -0.224336   0.081784
+    1SOL     H6    6  -0.226416  -0.102635   0.089809
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013587  -0.087724   0.035808
+    0SOL     H3    3  -0.054945  -0.013817  -0.077152
+    1SOL     O4    4  -0.195525  -0.175936  -0.168446
+    1SOL     H5    5  -0.237948  -0.111312  -0.224895
+    1SOL     H6    6  -0.264961  -0.205736  -0.109685
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053068  -0.045045  -0.065705
+    0SOL     H3    3  -0.044668  -0.070341   0.047108
+    1SOL     O4    4   0.163709   0.158708  -0.192090
+    1SOL     H5    5   0.219604   0.095839  -0.146423
+    1SOL     H6    6   0.224419   0.211694  -0.243754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/212/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048313  -0.012096   0.081743
+    0SOL     H3    3   0.035589   0.088652   0.006051
+    1SOL     O4    4   0.315003   0.024127   0.027662
+    1SOL     H5    5   0.383632  -0.005275  -0.032237
+    1SOL     H6    6   0.273468  -0.056584   0.058042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/213/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018193   0.054328   0.076680
+    0SOL     H3    3   0.063422   0.050617  -0.050773
+    1SOL     O4    4   0.034781   0.004417   0.324659
+    1SOL     H5    5  -0.033294   0.053737   0.370436
+    1SOL     H6    6   0.085124   0.070917   0.277694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/214/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051823  -0.047040   0.065299
+    0SOL     H3    3   0.053273   0.060989   0.051035
+    1SOL     O4    4   0.157615   0.153721   0.164935
+    1SOL     H5    5   0.106474   0.216989   0.215373
+    1SOL     H6    6   0.223417   0.121497   0.226530
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047861  -0.051978   0.064575
+    0SOL     H3    3   0.024933   0.079589   0.046970
+    1SOL     O4    4  -0.196224  -0.122964  -0.168492
+    1SOL     H5    5  -0.130543  -0.066746  -0.127409
+    1SOL     H6    6  -0.184329  -0.109061  -0.262448
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/216/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059055   0.070684  -0.026050
+    0SOL     H3    3   0.057190  -0.075778   0.012217
+    1SOL     O4    4   0.190644  -0.163153   0.149851
+    1SOL     H5    5   0.140111  -0.167568   0.231025
+    1SOL     H6    6   0.263055  -0.224292   0.163305
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/217/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056404  -0.046995  -0.061420
+    0SOL     H3    3  -0.045524  -0.068940   0.048344
+    1SOL     O4    4   0.182534   0.189834  -0.185906
+    1SOL     H5    5   0.236089   0.130417  -0.133335
+    1SOL     H6    6   0.245867   0.245526  -0.231177
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/218/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065428  -0.043282  -0.054847
+    0SOL     H3    3  -0.079254   0.001269  -0.053662
+    1SOL     O4    4  -0.216131  -0.171242   0.214725
+    1SOL     H5    5  -0.150111  -0.229518   0.252244
+    1SOL     H6    6  -0.171766  -0.128869   0.141250
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/219/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.041862   0.019738  -0.083788
+    0SOL     H3    3   0.070751  -0.060532  -0.022191
+    1SOL     O4    4   0.188345   0.158084  -0.160809
+    1SOL     H5    5   0.098115   0.184882  -0.143408
+    1SOL     H6    6   0.180811   0.068718  -0.194264
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049847   0.081490   0.006091
+    0SOL     H3    3  -0.056745  -0.059211  -0.049360
+    1SOL     O4    4   0.246619  -0.127820  -0.120301
+    1SOL     H5    5   0.256552  -0.070976  -0.196672
+    1SOL     H6    6   0.175405  -0.187318  -0.143769
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017657  -0.065686  -0.067349
+    0SOL     H3    3  -0.059787  -0.043460   0.060820
+    1SOL     O4    4   0.188363  -0.159219  -0.167915
+    1SOL     H5    5   0.257017  -0.177475  -0.103761
+    1SOL     H6    6   0.228515  -0.097569  -0.229147
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053286  -0.002652   0.079473
+    0SOL     H3    3  -0.050033  -0.050453  -0.064136
+    1SOL     O4    4  -0.157606  -0.186606  -0.192586
+    1SOL     H5    5  -0.202786  -0.114416  -0.236285
+    1SOL     H6    6  -0.223295  -0.223983  -0.133847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/223/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077181  -0.046429   0.032400
+    0SOL     H3    3   0.034384   0.061272  -0.065006
+    1SOL     O4    4  -0.210207   0.173262   0.142692
+    1SOL     H5    5  -0.151324   0.141324   0.074318
+    1SOL     H6    6  -0.160096   0.241295   0.187666
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/224/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054472  -0.021683   0.075664
+    0SOL     H3    3  -0.013230  -0.083558  -0.044781
+    1SOL     O4    4   0.365243   0.003006  -0.007412
+    1SOL     H5    5   0.437798  -0.041927   0.035937
+    1SOL     H6    6   0.407224   0.070661  -0.060543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/225/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021003   0.004892  -0.093259
+    0SOL     H3    3  -0.075223  -0.059014   0.004596
+    1SOL     O4    4  -0.291989  -0.143453   0.079530
+    1SOL     H5    5  -0.320912  -0.111665   0.165059
+    1SOL     H6    6  -0.365391  -0.195749   0.047286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/226/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019950   0.080114  -0.048436
+    0SOL     H3    3  -0.006017  -0.069682  -0.065350
+    1SOL     O4    4   0.018590   0.021131  -0.314937
+    1SOL     H5    5   0.035926   0.108898  -0.280897
+    1SOL     H6    6   0.051603   0.023274  -0.404758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/227/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034915  -0.082437  -0.033874
+    0SOL     H3    3   0.054601   0.019718   0.076107
+    1SOL     O4    4   0.138043  -0.196972  -0.159546
+    1SOL     H5    5   0.179281  -0.206023  -0.073640
+    1SOL     H6    6   0.156141  -0.106620  -0.185455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/228/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036544  -0.039042   0.079389
+    0SOL     H3    3  -0.079328  -0.050682  -0.017344
+    1SOL     O4    4   0.173642  -0.109438  -0.179733
+    1SOL     H5    5   0.104087  -0.073436  -0.124703
+    1SOL     H6    6   0.205478  -0.185661  -0.131372
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007498  -0.022093   0.092833
+    0SOL     H3    3  -0.003754  -0.084336  -0.045119
+    1SOL     O4    4   0.141382  -0.195761  -0.140489
+    1SOL     H5    5   0.083578  -0.253941  -0.091132
+    1SOL     H6    6   0.182918  -0.141016  -0.073855
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020404   0.064311   0.067897
+    0SOL     H3    3   0.035681   0.051787  -0.072162
+    1SOL     O4    4  -0.016344   0.352245   0.022231
+    1SOL     H5    5   0.058224   0.293342   0.033731
+    1SOL     H6    6   0.013450   0.416364  -0.042293
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033212  -0.069121  -0.057285
+    0SOL     H3    3   0.078015   0.035197   0.042862
+    1SOL     O4    4  -0.154693   0.164630  -0.186368
+    1SOL     H5    5  -0.200201   0.114291  -0.253876
+    1SOL     H6    6  -0.076047   0.113526  -0.167249
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032593   0.052820  -0.072870
+    0SOL     H3    3  -0.064863  -0.058164  -0.039649
+    1SOL     O4    4   0.166892  -0.178540  -0.108088
+    1SOL     H5    5   0.126223  -0.163583  -0.193438
+    1SOL     H6    6   0.119239  -0.120881  -0.048363
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055636  -0.049630   0.060033
+    0SOL     H3    3  -0.035960  -0.065882  -0.059404
+    1SOL     O4    4   0.172520  -0.174968   0.120822
+    1SOL     H5    5   0.134982  -0.246345   0.172383
+    1SOL     H6    6   0.203789  -0.112179   0.185953
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051391   0.075025  -0.029874
+    0SOL     H3    3   0.069675   0.038324   0.053281
+    1SOL     O4    4   0.159685   0.145969   0.177265
+    1SOL     H5    5   0.070854   0.161032   0.209584
+    1SOL     H6    6   0.185337   0.229335   0.137838
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073348  -0.059153   0.016830
+    0SOL     H3    3  -0.013253  -0.004539  -0.094689
+    1SOL     O4    4   0.187755  -0.108848  -0.227986
+    1SOL     H5    5   0.247306  -0.170728  -0.270258
+    1SOL     H6    6   0.160265  -0.050096  -0.298376
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053197   0.077202   0.019293
+    0SOL     H3    3   0.082248   0.035379  -0.033851
+    1SOL     O4    4   0.158492   0.183005  -0.129822
+    1SOL     H5    5   0.220493   0.255883  -0.132485
+    1SOL     H6    6   0.183066   0.127865  -0.204106
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029518   0.050441  -0.075807
+    0SOL     H3    3  -0.052506  -0.070826  -0.037270
+    1SOL     O4    4  -0.018538  -0.304363   0.002266
+    1SOL     H5    5  -0.084249  -0.288109   0.069942
+    1SOL     H6    6  -0.052249  -0.379621  -0.046336
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056825   0.040293  -0.065648
+    0SOL     H3    3  -0.057593  -0.057635  -0.050236
+    1SOL     O4    4   0.177600  -0.177277   0.163582
+    1SOL     H5    5   0.161113  -0.192782   0.070576
+    1SOL     H6    6   0.266659  -0.209333   0.177837
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046895  -0.074359  -0.037868
+    0SOL     H3    3   0.059983   0.035240   0.065746
+    1SOL     O4    4  -0.032761  -0.003430  -0.348519
+    1SOL     H5    5  -0.114569  -0.049018  -0.328732
+    1SOL     H6    6  -0.023538   0.060908  -0.278249
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060348  -0.050520  -0.054481
+    0SOL     H3    3  -0.025538   0.074149  -0.054882
+    1SOL     O4    4   0.009832  -0.000625   0.310211
+    1SOL     H5    5   0.071172   0.070671   0.292421
+    1SOL     H6    6  -0.021684  -0.027280   0.223848
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076861   0.010728   0.056032
+    0SOL     H3    3  -0.066982  -0.036440   0.057861
+    1SOL     O4    4   0.206160  -0.117141   0.197981
+    1SOL     H5    5   0.251444  -0.196272   0.168828
+    1SOL     H6    6   0.258310  -0.085433   0.271719
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070708   0.049063   0.041898
+    0SOL     H3    3   0.045853   0.064867  -0.053405
+    1SOL     O4    4   0.153768  -0.177897   0.190820
+    1SOL     H5    5   0.213061  -0.123023   0.242157
+    1SOL     H6    6   0.152631  -0.137398   0.104097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/243/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064259   0.026211  -0.065924
+    0SOL     H3    3  -0.060430  -0.057519  -0.046927
+    1SOL     O4    4  -0.203556   0.127345  -0.243607
+    1SOL     H5    5  -0.239229   0.206654  -0.283606
+    1SOL     H6    6  -0.180772   0.153607  -0.154425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/244/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063643   0.022012   0.068025
+    0SOL     H3    3   0.031443   0.084652  -0.031743
+    1SOL     O4    4  -0.191493  -0.115438  -0.210137
+    1SOL     H5    5  -0.254578  -0.110442  -0.281954
+    1SOL     H6    6  -0.146120  -0.031179  -0.212146
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042871  -0.070973   0.047825
+    0SOL     H3    3  -0.020298   0.078700   0.050564
+    1SOL     O4    4   0.188928  -0.170121  -0.071203
+    1SOL     H5    5   0.224284  -0.173698  -0.160082
+    1SOL     H6    6   0.124394  -0.099477  -0.073871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/246/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032976  -0.073838  -0.051215
+    0SOL     H3    3   0.072011   0.022378   0.058957
+    1SOL     O4    4  -0.236571   0.118493  -0.117605
+    1SOL     H5    5  -0.142248   0.110103  -0.131570
+    1SOL     H6    6  -0.268049   0.166203  -0.194385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/247/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073466  -0.042129   0.044613
+    0SOL     H3    3   0.025264   0.071858   0.057970
+    1SOL     O4    4  -0.169361  -0.131175   0.160194
+    1SOL     H5    5  -0.240371  -0.091665   0.210780
+    1SOL     H6    6  -0.120634  -0.183364   0.223946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/248/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039987  -0.033275   0.080350
+    0SOL     H3    3   0.019252  -0.066775  -0.065824
+    1SOL     O4    4   0.186858  -0.139023  -0.144467
+    1SOL     H5    5   0.166864  -0.203765  -0.076857
+    1SOL     H6    6   0.244667  -0.076196  -0.101186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/249/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056447   0.060684   0.047890
+    0SOL     H3    3  -0.060394  -0.052905  -0.052115
+    1SOL     O4    4   0.172317  -0.145839  -0.159166
+    1SOL     H5    5   0.153817  -0.085279  -0.087384
+    1SOL     H6    6   0.260856  -0.123082  -0.187547
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/250/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067736  -0.033929  -0.058506
+    0SOL     H3    3   0.045602   0.063494   0.055238
+    1SOL     O4    4   0.214187   0.172235   0.141365
+    1SOL     H5    5   0.138477   0.220167   0.175019
+    1SOL     H6    6   0.247377   0.226796   0.070064
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/251/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077366  -0.042621   0.036881
+    0SOL     H3    3  -0.025873   0.091523  -0.010791
+    1SOL     O4    4   0.214692  -0.119469   0.097046
+    1SOL     H5    5   0.158539  -0.055702   0.052966
+    1SOL     H6    6   0.281807  -0.066576   0.140177
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/252/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066571   0.048185   0.049080
+    0SOL     H3    3   0.065350  -0.024220   0.065613
+    1SOL     O4    4   0.269338  -0.060676   0.031301
+    1SOL     H5    5   0.283676  -0.154986   0.039198
+    1SOL     H6    6   0.354112  -0.025730   0.003835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/253/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041462  -0.071846   0.047763
+    0SOL     H3    3  -0.050675   0.046832   0.066341
+    1SOL     O4    4  -0.134496   0.121569   0.200125
+    1SOL     H5    5  -0.099691   0.097709   0.286041
+    1SOL     H6    6  -0.221184   0.081081   0.197262
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/254/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068295   0.030823   0.059565
+    0SOL     H3    3  -0.047187  -0.049133  -0.067243
+    1SOL     O4    4   0.234070  -0.083053   0.129915
+    1SOL     H5    5   0.321706  -0.051449   0.107926
+    1SOL     H6    6   0.176931  -0.042797   0.064517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/255/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061541  -0.069281  -0.023981
+    0SOL     H3    3   0.044074  -0.033084   0.078264
+    1SOL     O4    4   0.133106  -0.215441  -0.155633
+    1SOL     H5    5   0.054789  -0.169790  -0.186369
+    1SOL     H6    6   0.204664  -0.154002  -0.171975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/256/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088784   0.021532  -0.028568
+    0SOL     H3    3  -0.002668   0.008735   0.095283
+    1SOL     O4    4  -0.210056   0.092269   0.186490
+    1SOL     H5    5  -0.252575   0.096669   0.272135
+    1SOL     H6    6  -0.272923   0.046325   0.130818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/257/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028405   0.073188   0.054763
+    0SOL     H3    3  -0.003522   0.036223  -0.088531
+    1SOL     O4    4   0.171201  -0.185942  -0.121412
+    1SOL     H5    5   0.181770  -0.153385  -0.210803
+    1SOL     H6    6   0.133444  -0.112276  -0.073348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/258/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000653  -0.093081   0.022312
+    0SOL     H3    3  -0.007729   0.044911   0.084176
+    1SOL     O4    4  -0.213562   0.158045   0.241166
+    1SOL     H5    5  -0.284568   0.194718   0.293849
+    1SOL     H6    6  -0.175455   0.233560   0.196358
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/259/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060195   0.030693   0.067800
+    0SOL     H3    3  -0.055968  -0.045321  -0.063055
+    1SOL     O4    4  -0.235464   0.114532   0.062873
+    1SOL     H5    5  -0.223856   0.152454   0.149991
+    1SOL     H6    6  -0.320910   0.146547   0.033953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/260/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026785  -0.053162   0.074958
+    0SOL     H3    3  -0.081852   0.035364  -0.034813
+    1SOL     O4    4  -0.176242   0.119407  -0.150825
+    1SOL     H5    5  -0.223761   0.197894  -0.178100
+    1SOL     H6    6  -0.237916   0.047694  -0.165518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/261/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074937  -0.031329   0.050648
+    0SOL     H3    3   0.028639  -0.005556  -0.091166
+    1SOL     O4    4   0.188909  -0.087023   0.167694
+    1SOL     H5    5   0.163319  -0.158525   0.225960
+    1SOL     H6    6   0.243914  -0.128657   0.101336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/262/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055461   0.038345  -0.067942
+    0SOL     H3    3  -0.058139  -0.059000   0.047970
+    1SOL     O4    4  -0.213464   0.116839  -0.104910
+    1SOL     H5    5  -0.238068   0.150172  -0.018620
+    1SOL     H6    6  -0.205539   0.195071  -0.159492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/263/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054508   0.019973  -0.076107
+    0SOL     H3    3  -0.039943   0.049238   0.071712
+    1SOL     O4    4   0.190211  -0.183866  -0.083788
+    1SOL     H5    5   0.096738  -0.175595  -0.064901
+    1SOL     H6    6   0.196458  -0.260356  -0.140995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/264/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040935   0.060506   0.061852
+    0SOL     H3    3   0.027016   0.055273  -0.073330
+    1SOL     O4    4   0.263631  -0.118932   0.048917
+    1SOL     H5    5   0.219404  -0.059818   0.109842
+    1SOL     H6    6   0.198251  -0.137138  -0.018583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/265/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041805   0.071459  -0.048045
+    0SOL     H3    3   0.070630  -0.038671   0.051752
+    1SOL     O4    4   0.142724  -0.135481  -0.237078
+    1SOL     H5    5   0.167779  -0.060794  -0.182706
+    1SOL     H6    6   0.156300  -0.105385  -0.326924
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/266/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095566  -0.001125   0.005303
+    0SOL     H3    3  -0.026074   0.075520   0.052718
+    1SOL     O4    4   0.246896  -0.007796   0.054657
+    1SOL     H5    5   0.303922  -0.038858  -0.015667
+    1SOL     H6    6   0.306962   0.018879   0.124248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/267/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068450   0.064816  -0.016608
+    0SOL     H3    3  -0.039946  -0.061991   0.061022
+    1SOL     O4    4  -0.169228  -0.134279   0.163243
+    1SOL     H5    5  -0.140835  -0.113677   0.252303
+    1SOL     H6    6  -0.240312  -0.072583   0.145839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/268/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004741   0.032218   0.090010
+    0SOL     H3    3  -0.052031  -0.080342   0.000496
+    1SOL     O4    4  -0.021756   0.344232  -0.000227
+    1SOL     H5    5  -0.003234   0.310113  -0.087720
+    1SOL     H6    6  -0.034958   0.438120  -0.013380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/269/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048621   0.014252   0.081211
+    0SOL     H3    3  -0.091078  -0.009429   0.027897
+    1SOL     O4    4   0.145044  -0.224135  -0.193504
+    1SOL     H5    5   0.059009  -0.248895  -0.159633
+    1SOL     H6    6   0.201403  -0.221418  -0.116182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/270/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094486  -0.013309  -0.007583
+    0SOL     H3    3   0.010669   0.051170   0.080188
+    1SOL     O4    4   0.231718   0.211251  -0.023394
+    1SOL     H5    5   0.243841   0.265564  -0.101276
+    1SOL     H6    6   0.145727   0.236434   0.010277
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/271/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035015   0.029466  -0.084071
+    0SOL     H3    3  -0.091256   0.028884  -0.000561
+    1SOL     O4    4   0.021992   0.316446   0.043299
+    1SOL     H5    5  -0.016035   0.392432  -0.000774
+    1SOL     H6    6   0.060436   0.264499  -0.027312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/272/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080028   0.038139   0.036101
+    0SOL     H3    3   0.014582  -0.078958   0.052109
+    1SOL     O4    4   0.245604   0.055629  -0.097124
+    1SOL     H5    5   0.167371   0.025694  -0.050802
+    1SOL     H6    6   0.214833   0.127666  -0.152134
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083007  -0.046900   0.008519
+    0SOL     H3    3  -0.017689   0.000587  -0.094070
+    1SOL     O4    4  -0.193661  -0.131815   0.119304
+    1SOL     H5    5  -0.122394  -0.092782   0.068710
+    1SOL     H6    6  -0.171959  -0.224951   0.123424
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/274/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012082  -0.010119   0.094414
+    0SOL     H3    3   0.022480  -0.085633  -0.036386
+    1SOL     O4    4   0.182680  -0.197232  -0.160741
+    1SOL     H5    5   0.242934  -0.181079  -0.088140
+    1SOL     H6    6   0.205853  -0.131409  -0.226259
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/275/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023861   0.037425   0.084808
+    0SOL     H3    3   0.037793   0.060072  -0.064229
+    1SOL     O4    4   0.099738  -0.233282  -0.107967
+    1SOL     H5    5   0.061620  -0.146011  -0.098307
+    1SOL     H6    6   0.177253  -0.231961  -0.051825
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/276/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079670  -0.018780   0.049622
+    0SOL     H3    3  -0.061629   0.033273   0.065247
+    1SOL     O4    4  -0.183009   0.181128  -0.129742
+    1SOL     H5    5  -0.109182   0.123134  -0.148409
+    1SOL     H6    6  -0.227319   0.140377  -0.055322
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/277/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077541   0.012986  -0.054599
+    0SOL     H3    3  -0.027361   0.027560   0.087488
+    1SOL     O4    4  -0.249126  -0.098066  -0.290525
+    1SOL     H5    5  -0.254075  -0.011212  -0.330453
+    1SOL     H6    6  -0.168374  -0.135903  -0.325308
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071203  -0.023509   0.059496
+    0SOL     H3    3   0.042013   0.075362   0.041447
+    1SOL     O4    4   0.202779  -0.115281   0.159738
+    1SOL     H5    5   0.210022  -0.044674   0.223961
+    1SOL     H6    6   0.126509  -0.091882   0.106845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/279/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091173  -0.028155  -0.007554
+    0SOL     H3    3  -0.000325   0.090784  -0.030340
+    1SOL     O4    4   0.211930  -0.059725   0.148186
+    1SOL     H5    5   0.126748  -0.043130   0.107801
+    1SOL     H6    6   0.259719   0.022596   0.138096
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044569   0.021017   0.082062
+    0SOL     H3    3   0.070146  -0.027462  -0.059056
+    1SOL     O4    4  -0.171996  -0.094358   0.195160
+    1SOL     H5    5  -0.151604  -0.183174   0.224455
+    1SOL     H6    6  -0.109516  -0.077404   0.124653
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052536   0.064690  -0.047091
+    0SOL     H3    3   0.022190  -0.083510  -0.041182
+    1SOL     O4    4   0.011994   0.063741   0.307285
+    1SOL     H5    5  -0.017569   0.039624   0.219497
+    1SOL     H6    6   0.038554  -0.019078   0.347259
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/282/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061319   0.035892   0.064141
+    0SOL     H3    3  -0.041416  -0.073642   0.044988
+    1SOL     O4    4   0.177803  -0.086587  -0.189495
+    1SOL     H5    5   0.122741  -0.067705  -0.113509
+    1SOL     H6    6   0.144863  -0.028459  -0.258041
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015893   0.091730  -0.022256
+    0SOL     H3    3  -0.087358  -0.038536   0.006770
+    1SOL     O4    4  -0.134041  -0.188518  -0.137015
+    1SOL     H5    5  -0.066503  -0.253324  -0.157046
+    1SOL     H6    6  -0.154314  -0.148118  -0.221390
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/284/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084354  -0.016123  -0.042270
+    0SOL     H3    3   0.053177  -0.076292  -0.022675
+    1SOL     O4    4  -0.015288   0.275044  -0.027437
+    1SOL     H5    5  -0.020812   0.180568  -0.013082
+    1SOL     H6    6  -0.004055   0.312009   0.060140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/285/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052668   0.079857   0.003356
+    0SOL     H3    3   0.079224   0.021414   0.049268
+    1SOL     O4    4  -0.039624  -0.290497   0.200871
+    1SOL     H5    5   0.015636  -0.221030   0.236690
+    1SOL     H6    6  -0.062343  -0.344517   0.276555
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/286/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082644   0.030009  -0.037838
+    0SOL     H3    3  -0.051049  -0.030524  -0.074997
+    1SOL     O4    4   0.008348  -0.173650   0.224718
+    1SOL     H5    5  -0.077965  -0.204594   0.197244
+    1SOL     H6    6   0.047254  -0.137307   0.145170
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/287/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063718  -0.011975  -0.070419
+    0SOL     H3    3  -0.015094   0.089259   0.031101
+    1SOL     O4    4   0.159243   0.216119   0.083029
+    1SOL     H5    5   0.095748   0.261824   0.138181
+    1SOL     H6    6   0.207910   0.160293   0.143669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/288/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018369  -0.036939   0.086374
+    0SOL     H3    3   0.002595   0.094593   0.014410
+    1SOL     O4    4  -0.063397   0.273865   0.057776
+    1SOL     H5    5  -0.157716   0.274830   0.041488
+    1SOL     H6    6  -0.052352   0.325067   0.137892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/289/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000507  -0.052731   0.079884
+    0SOL     H3    3   0.060467   0.071734   0.018979
+    1SOL     O4    4  -0.094888  -0.188590   0.166713
+    1SOL     H5    5  -0.163413  -0.128909   0.196794
+    1SOL     H6    6  -0.077413  -0.244989   0.242053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/290/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000767   0.095513  -0.006242
+    0SOL     H3    3  -0.053634  -0.028456  -0.074000
+    1SOL     O4    4   0.150967  -0.157078   0.209943
+    1SOL     H5    5   0.163664  -0.110346   0.127377
+    1SOL     H6    6   0.215594  -0.118875   0.269326
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/291/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064999  -0.062241   0.032613
+    0SOL     H3    3  -0.016841   0.080315   0.049276
+    1SOL     O4    4  -0.134265  -0.189699   0.125313
+    1SOL     H5    5  -0.190532  -0.234586   0.062214
+    1SOL     H6    6  -0.069840  -0.255607   0.151155
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/292/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048057   0.057044  -0.059990
+    0SOL     H3    3   0.051541  -0.080605   0.002933
+    1SOL     O4    4   0.143692  -0.215126   0.083923
+    1SOL     H5    5   0.140807  -0.298800   0.037525
+    1SOL     H6    6   0.220694  -0.170671   0.048474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/293/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033633  -0.004736  -0.089492
+    0SOL     H3    3  -0.003827   0.093035   0.022183
+    1SOL     O4    4  -0.041735   0.036733   0.291231
+    1SOL     H5    5  -0.019871   0.053882   0.382829
+    1SOL     H6    6   0.042892   0.024185   0.248300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/294/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004418   0.094344   0.015554
+    0SOL     H3    3  -0.036772  -0.008118  -0.088001
+    1SOL     O4    4  -0.176183   0.257435   0.026718
+    1SOL     H5    5  -0.161053   0.194481   0.097217
+    1SOL     H6    6  -0.200138   0.203651  -0.048752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/295/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072436  -0.049398   0.038409
+    0SOL     H3    3   0.038953   0.083530  -0.025842
+    1SOL     O4    4   0.181314  -0.061604  -0.194803
+    1SOL     H5    5   0.113821  -0.065132  -0.127019
+    1SOL     H6    6   0.253953  -0.014550  -0.153916
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/296/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031618  -0.086587   0.025794
+    0SOL     H3    3   0.049405  -0.015493  -0.080507
+    1SOL     O4    4  -0.124751  -0.183159   0.123859
+    1SOL     H5    5  -0.189790  -0.115286   0.141901
+    1SOL     H6    6  -0.093302  -0.209830   0.210242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/297/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020685  -0.005663  -0.093287
+    0SOL     H3    3   0.053685   0.078850   0.007934
+    1SOL     O4    4  -0.285601   0.192331  -0.085462
+    1SOL     H5    5  -0.297720   0.106368  -0.045141
+    1SOL     H6    6  -0.198110   0.188592  -0.124109
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/298/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031034   0.074718  -0.051152
+    0SOL     H3    3  -0.035854   0.014325   0.087587
+    1SOL     O4    4  -0.124374   0.171390  -0.192951
+    1SOL     H5    5  -0.212946   0.199335  -0.216113
+    1SOL     H6    6  -0.068118   0.242949  -0.222560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/299/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011632  -0.079486   0.052049
+    0SOL     H3    3  -0.063387   0.061901   0.036231
+    1SOL     O4    4  -0.092868  -0.091785   0.243914
+    1SOL     H5    5  -0.147181  -0.128116   0.173967
+    1SOL     H6    6  -0.151448  -0.033137   0.291780
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/300/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018303  -0.073556  -0.058454
+    0SOL     H3    3  -0.022739   0.077597  -0.051225
+    1SOL     O4    4  -0.119946  -0.150237  -0.215658
+    1SOL     H5    5  -0.083622  -0.220785  -0.269190
+    1SOL     H6    6  -0.092766  -0.069944  -0.260118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/301/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046897   0.076868  -0.032468
+    0SOL     H3    3  -0.074791  -0.009187  -0.059027
+    1SOL     O4    4   0.216344   0.197010  -0.064948
+    1SOL     H5    5   0.230450   0.291565  -0.060164
+    1SOL     H6    6   0.274474   0.160665   0.001852
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/302/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039025   0.028733  -0.082546
+    0SOL     H3    3  -0.055807   0.038452   0.067597
+    1SOL     O4    4  -0.166754   0.159346   0.146273
+    1SOL     H5    5  -0.257530   0.177168   0.121689
+    1SOL     H6    6  -0.140442   0.235585   0.197825
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/303/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073640   0.060911  -0.005403
+    0SOL     H3    3   0.069104   0.041234  -0.051833
+    1SOL     O4    4  -0.306106  -0.013480   0.073716
+    1SOL     H5    5  -0.242361  -0.054225   0.132357
+    1SOL     H6    6  -0.337385   0.063154   0.121792
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007289  -0.051903   0.080095
+    0SOL     H3    3  -0.093986   0.014727  -0.010584
+    1SOL     O4    4  -0.162725  -0.069469   0.227037
+    1SOL     H5    5  -0.127393  -0.138698   0.282905
+    1SOL     H6    6  -0.246655  -0.103829   0.196421
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015767   0.083840  -0.043411
+    0SOL     H3    3   0.079780   0.014013   0.051002
+    1SOL     O4    4  -0.252433   0.092324   0.116185
+    1SOL     H5    5  -0.275827   0.176086   0.076199
+    1SOL     H6    6  -0.157393   0.096498   0.126776
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086468  -0.004897  -0.040764
+    0SOL     H3    3   0.024409   0.092326  -0.006515
+    1SOL     O4    4   0.306229   0.073437  -0.113069
+    1SOL     H5    5   0.401815   0.073272  -0.108020
+    1SOL     H6    6   0.281255  -0.017771  -0.098249
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022958  -0.066519  -0.064889
+    0SOL     H3    3   0.071223  -0.039277   0.050467
+    1SOL     O4    4  -0.188981   0.189266  -0.175537
+    1SOL     H5    5  -0.238599   0.266162  -0.203597
+    1SOL     H6    6  -0.226022   0.166621  -0.090229
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018641  -0.057012   0.074595
+    0SOL     H3    3  -0.075724  -0.010350  -0.057629
+    1SOL     O4    4  -0.015756   0.270061   0.035383
+    1SOL     H5    5  -0.022681   0.174804   0.029019
+    1SOL     H6    6   0.044028   0.294548  -0.035247
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036349   0.079008   0.039985
+    0SOL     H3    3   0.078850  -0.018600   0.050981
+    1SOL     O4    4   0.275342   0.085981   0.187318
+    1SOL     H5    5   0.369206   0.104495   0.184298
+    1SOL     H6    6   0.255034   0.080092   0.280674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/310/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019999   0.076707  -0.053651
+    0SOL     H3    3  -0.094819  -0.010605  -0.007691
+    1SOL     O4    4   0.183011  -0.172796  -0.203618
+    1SOL     H5    5   0.184501  -0.096088  -0.260854
+    1SOL     H6    6   0.099073  -0.214919  -0.222122
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/311/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088823  -0.018642  -0.030417
+    0SOL     H3    3  -0.000197   0.094154   0.017241
+    1SOL     O4    4   0.044890  -0.288238  -0.070184
+    1SOL     H5    5   0.071862  -0.319066   0.016329
+    1SOL     H6    6  -0.042943  -0.252667  -0.056678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/312/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030490  -0.035950   0.083309
+    0SOL     H3    3   0.003147   0.094885   0.012219
+    1SOL     O4    4   0.280963  -0.089476   0.024863
+    1SOL     H5    5   0.356714  -0.122550   0.073135
+    1SOL     H6    6   0.294924  -0.119246  -0.065032
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/313/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014860   0.092069   0.021560
+    0SOL     H3    3  -0.073593   0.001258  -0.061195
+    1SOL     O4    4  -0.096977  -0.003498   0.281717
+    1SOL     H5    5  -0.068454  -0.023279   0.192513
+    1SOL     H6    6  -0.116379   0.090227   0.280481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/314/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044744   0.051072  -0.067468
+    0SOL     H3    3  -0.037659  -0.074293  -0.047166
+    1SOL     O4    4   0.113855  -0.326292  -0.022807
+    1SOL     H5    5   0.152445  -0.406341   0.012762
+    1SOL     H6    6   0.019471  -0.338597  -0.012683
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003237  -0.046843  -0.083412
+    0SOL     H3    3   0.058996   0.073637  -0.016103
+    1SOL     O4    4   0.195664   0.092914  -0.114463
+    1SOL     H5    5   0.210251   0.021055  -0.175991
+    1SOL     H6    6   0.209234   0.172140  -0.166438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/316/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050893  -0.074467  -0.032046
+    0SOL     H3    3  -0.083538  -0.037968   0.027242
+    1SOL     O4    4   0.218283  -0.168399  -0.089632
+    1SOL     H5    5   0.264518  -0.110988  -0.028570
+    1SOL     H6    6   0.217971  -0.120202  -0.172332
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/317/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081968   0.040208  -0.028756
+    0SOL     H3    3   0.023852  -0.090067   0.021937
+    1SOL     O4    4   0.024926  -0.276907   0.035573
+    1SOL     H5    5   0.046391  -0.322731  -0.045678
+    1SOL     H6    6   0.040845  -0.341444   0.104449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/318/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092132  -0.007876   0.024737
+    0SOL     H3    3   0.042324   0.038141   0.076917
+    1SOL     O4    4   0.007305  -0.139703   0.281105
+    1SOL     H5    5   0.059609  -0.177078   0.210184
+    1SOL     H6    6   0.070437  -0.122419   0.350947
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/319/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014417  -0.020321   0.092420
+    0SOL     H3    3  -0.054139  -0.063265  -0.047211
+    1SOL     O4    4  -0.066827   0.010508   0.293609
+    1SOL     H5    5  -0.028441  -0.034626   0.368787
+    1SOL     H6    6  -0.161012  -0.004164   0.302335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/320/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011919   0.075923   0.057061
+    0SOL     H3    3  -0.065465   0.028076  -0.063941
+    1SOL     O4    4  -0.024530  -0.044692   0.331441
+    1SOL     H5    5   0.065330  -0.076654   0.323322
+    1SOL     H6    6  -0.031233  -0.014693   0.422091
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/321/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004409  -0.008632  -0.095228
+    0SOL     H3    3  -0.032704  -0.083603   0.033215
+    1SOL     O4    4   0.261332  -0.013045  -0.002751
+    1SOL     H5    5   0.167574  -0.016653   0.016190
+    1SOL     H6    6   0.302505   0.001174   0.082484
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/322/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010576  -0.069040  -0.065451
+    0SOL     H3    3   0.059950   0.062597  -0.040619
+    1SOL     O4    4   0.188168  -0.107491   0.194866
+    1SOL     H5    5   0.100868  -0.088011   0.228947
+    1SOL     H6    6   0.231825  -0.022410   0.190661
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/323/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022372  -0.058831  -0.072116
+    0SOL     H3    3   0.062839   0.061509  -0.037818
+    1SOL     O4    4  -0.002573  -0.282716   0.122032
+    1SOL     H5    5   0.051512  -0.304224   0.198022
+    1SOL     H6    6  -0.082299  -0.334334   0.133937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/324/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004590   0.000657  -0.095608
+    0SOL     H3    3  -0.073765   0.054225   0.027941
+    1SOL     O4    4   0.163899  -0.185992  -0.151602
+    1SOL     H5    5   0.082403  -0.182409  -0.201681
+    1SOL     H6    6   0.223174  -0.237947  -0.205910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/325/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078619  -0.050792   0.020040
+    0SOL     H3    3   0.051677  -0.002994   0.080516
+    1SOL     O4    4   0.176210   0.217326   0.070529
+    1SOL     H5    5   0.151187   0.214998  -0.021833
+    1SOL     H6    6   0.225685   0.298725   0.079945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/326/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021495   0.089306  -0.026922
+    0SOL     H3    3  -0.049235  -0.036097  -0.073724
+    1SOL     O4    4  -0.074277   0.230266  -0.245409
+    1SOL     H5    5  -0.087752   0.300453  -0.309084
+    1SOL     H6    6   0.002840   0.183394  -0.277317
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/327/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067694   0.059053   0.033054
+    0SOL     H3    3  -0.008924   0.023086  -0.092465
+    1SOL     O4    4   0.042371   0.280337  -0.097249
+    1SOL     H5    5   0.000844   0.350234  -0.147767
+    1SOL     H6    6  -0.001826   0.282559  -0.012372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/328/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070863  -0.005328  -0.064127
+    0SOL     H3    3   0.075871  -0.037253  -0.044923
+    1SOL     O4    4  -0.235038   0.213636   0.087380
+    1SOL     H5    5  -0.202004   0.159515   0.159088
+    1SOL     H6    6  -0.179132   0.291328   0.088228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/329/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016102  -0.050297  -0.079833
+    0SOL     H3    3   0.076020  -0.042200   0.040030
+    1SOL     O4    4   0.043044  -0.212431  -0.218507
+    1SOL     H5    5   0.096922  -0.135456  -0.236792
+    1SOL     H6    6   0.086665  -0.255316  -0.144884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/330/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062236  -0.017820   0.070508
+    0SOL     H3    3   0.032666  -0.086270  -0.025550
+    1SOL     O4    4  -0.230685   0.000424   0.142220
+    1SOL     H5    5  -0.319238  -0.025099   0.116350
+    1SOL     H6    6  -0.225465  -0.021885   0.235157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/331/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066818  -0.052809   0.043690
+    0SOL     H3    3  -0.015016   0.088960   0.031984
+    1SOL     O4    4  -0.123167  -0.164583   0.168980
+    1SOL     H5    5  -0.072400  -0.238225   0.134893
+    1SOL     H6    6  -0.069737  -0.129548   0.240256
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/332/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042077   0.052452   0.068122
+    0SOL     H3    3   0.070260  -0.019702  -0.061949
+    1SOL     O4    4   0.132593  -0.139963  -0.185052
+    1SOL     H5    5   0.224196  -0.112916  -0.191341
+    1SOL     H6    6   0.097628  -0.126977  -0.273206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/333/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042713   0.080198  -0.030102
+    0SOL     H3    3   0.028477  -0.043619  -0.080304
+    1SOL     O4    4  -0.123900  -0.193849  -0.175189
+    1SOL     H5    5  -0.148930  -0.101462  -0.175850
+    1SOL     H6    6  -0.083574  -0.207175  -0.089407
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/334/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038121  -0.071847  -0.050469
+    0SOL     H3    3  -0.056936   0.074815  -0.017984
+    1SOL     O4    4  -0.044726  -0.341661   0.127860
+    1SOL     H5    5  -0.121265  -0.368034   0.076786
+    1SOL     H6    6  -0.037077  -0.408542   0.195910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/335/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066768   0.033184   0.060027
+    0SOL     H3    3   0.038384  -0.079489  -0.037021
+    1SOL     O4    4   0.225226   0.066500  -0.130184
+    1SOL     H5    5   0.251694  -0.014180  -0.085998
+    1SOL     H6    6   0.130173   0.069713  -0.119367
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/336/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034795  -0.081812   0.035475
+    0SOL     H3    3   0.036751   0.068125   0.056308
+    1SOL     O4    4  -0.295497  -0.197746  -0.096808
+    1SOL     H5    5  -0.349952  -0.266210  -0.135661
+    1SOL     H6    6  -0.290454  -0.220842  -0.004053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/337/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050803  -0.029362  -0.075626
+    0SOL     H3    3   0.089260  -0.029409  -0.018168
+    1SOL     O4    4   0.068409   0.214546   0.142739
+    1SOL     H5    5   0.027946   0.265305   0.072393
+    1SOL     H6    6   0.051935   0.123287   0.119021
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/338/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016641   0.033745   0.088015
+    0SOL     H3    3   0.075041   0.050523  -0.031282
+    1SOL     O4    4   0.027470  -0.262166   0.023078
+    1SOL     H5    5  -0.027549  -0.288528  -0.050681
+    1SOL     H6    6   0.032708  -0.166834   0.016243
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/339/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038354   0.081622  -0.032080
+    0SOL     H3    3   0.072253  -0.062761  -0.001692
+    1SOL     O4    4  -0.239939  -0.076050  -0.037075
+    1SOL     H5    5  -0.245076  -0.134919   0.038227
+    1SOL     H6    6  -0.147690  -0.050919  -0.041641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/340/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017719  -0.034090  -0.087671
+    0SOL     H3    3  -0.072472  -0.053507   0.032361
+    1SOL     O4    4   0.150904  -0.238366   0.050885
+    1SOL     H5    5   0.239491  -0.271869   0.037020
+    1SOL     H6    6   0.158117  -0.144222   0.035161
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/341/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077418   0.044698   0.034219
+    0SOL     H3    3  -0.012853  -0.091833   0.023746
+    1SOL     O4    4   0.109685   0.283059   0.155877
+    1SOL     H5    5   0.154208   0.210691   0.199956
+    1SOL     H6    6   0.170502   0.310387   0.087198
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/342/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041189  -0.071014   0.049222
+    0SOL     H3    3   0.072877   0.044985  -0.042751
+    1SOL     O4    4   0.146872   0.137585  -0.170054
+    1SOL     H5    5   0.121450   0.176395  -0.253779
+    1SOL     H6    6   0.213920   0.196589  -0.135625
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/343/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043691  -0.029142  -0.080026
+    0SOL     H3    3  -0.034278  -0.080300   0.039233
+    1SOL     O4    4   0.133100   0.052800  -0.225284
+    1SOL     H5    5   0.164628   0.116176  -0.160849
+    1SOL     H6    6   0.054049   0.092764  -0.261563
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/344/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017150  -0.089201  -0.030189
+    0SOL     H3    3  -0.002277   0.053127  -0.079590
+    1SOL     O4    4  -0.245059   0.265120   0.137945
+    1SOL     H5    5  -0.250012   0.250713   0.043445
+    1SOL     H6    6  -0.180966   0.335476   0.148168
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/345/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053172   0.066020   0.044457
+    0SOL     H3    3  -0.020578   0.011133  -0.092817
+    1SOL     O4    4   0.262074   0.049009   0.061742
+    1SOL     H5    5   0.306604   0.020893   0.141673
+    1SOL     H6    6   0.173229   0.014442   0.070340
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/346/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004704  -0.069875   0.065251
+    0SOL     H3    3  -0.093727   0.014690  -0.012717
+    1SOL     O4    4  -0.232524   0.133880  -0.035111
+    1SOL     H5    5  -0.185455   0.155363  -0.115642
+    1SOL     H6    6  -0.300937   0.200529  -0.028793
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005927  -0.075545  -0.058482
+    0SOL     H3    3  -0.085981   0.004801   0.041792
+    1SOL     O4    4  -0.229260   0.033103   0.112213
+    1SOL     H5    5  -0.293600  -0.018678   0.063825
+    1SOL     H6    6  -0.247742   0.014420   0.204255
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051366  -0.061429  -0.052443
+    0SOL     H3    3  -0.043610  -0.054785   0.065262
+    1SOL     O4    4   0.075566   0.179696   0.176834
+    1SOL     H5    5   0.106435   0.265648   0.148169
+    1SOL     H6    6   0.081465   0.124779   0.098657
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013930   0.093772   0.013234
+    0SOL     H3    3  -0.037296  -0.041048   0.078016
+    1SOL     O4    4  -0.093014   0.070777   0.249329
+    1SOL     H5    5  -0.003738   0.067146   0.283665
+    1SOL     H6    6  -0.138175   0.132931   0.306422
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048357   0.007617   0.082255
+    0SOL     H3    3   0.088252   0.030452   0.021135
+    1SOL     O4    4  -0.180079   0.040741   0.183409
+    1SOL     H5    5  -0.162663  -0.028675   0.246973
+    1SOL     H6    6  -0.255812   0.009501   0.133903
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032112   0.076665   0.047473
+    0SOL     H3    3   0.030693  -0.074667   0.051431
+    1SOL     O4    4   0.254465   0.035233  -0.102471
+    1SOL     H5    5   0.276185   0.123850  -0.131411
+    1SOL     H6    6   0.172492   0.045211  -0.054064
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088897   0.029041  -0.020404
+    0SOL     H3    3   0.007789  -0.043169   0.085077
+    1SOL     O4    4   0.065192  -0.156885  -0.214129
+    1SOL     H5    5  -0.001367  -0.122679  -0.154445
+    1SOL     H6    6   0.021455  -0.160739  -0.299185
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077016  -0.054033  -0.017645
+    0SOL     H3    3   0.074157  -0.054788  -0.025715
+    1SOL     O4    4   0.249812   0.144657  -0.111642
+    1SOL     H5    5   0.315517   0.154989  -0.042805
+    1SOL     H6    6   0.249722   0.050885  -0.130852
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000538   0.012797  -0.094859
+    0SOL     H3    3  -0.015038  -0.093833   0.011473
+    1SOL     O4    4   0.015609  -0.029941  -0.313968
+    1SOL     H5    5   0.048098   0.056533  -0.288890
+    1SOL     H6    6   0.047911  -0.042778  -0.403154
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065479   0.034488  -0.060707
+    0SOL     H3    3  -0.081544   0.043075  -0.025642
+    1SOL     O4    4   0.230968  -0.140080   0.156933
+    1SOL     H5    5   0.247381  -0.160118   0.064784
+    1SOL     H6    6   0.169396  -0.066818   0.154964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/356/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043173  -0.036840   0.077079
+    0SOL     H3    3   0.093084  -0.000055   0.022308
+    1SOL     O4    4  -0.021580   0.022103  -0.278507
+    1SOL     H5    5   0.004054   0.026414  -0.186384
+    1SOL     H6    6   0.058329  -0.003670  -0.324471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/357/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048724   0.067900   0.046667
+    0SOL     H3    3  -0.090273   0.031805  -0.001249
+    1SOL     O4    4  -0.012645   0.052549   0.311526
+    1SOL     H5    5  -0.048982  -0.014017   0.253123
+    1SOL     H6    6   0.014612   0.003914   0.389333
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/358/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095258  -0.009129   0.002230
+    0SOL     H3    3  -0.032412  -0.074054   0.051262
+    1SOL     O4    4   0.237146   0.073568  -0.103229
+    1SOL     H5    5   0.251784   0.160849  -0.066760
+    1SOL     H6    6   0.324036   0.033456  -0.105093
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016169   0.093938   0.008746
+    0SOL     H3    3  -0.084079  -0.005757  -0.045386
+    1SOL     O4    4  -0.285088   0.037032   0.000934
+    1SOL     H5    5  -0.328273   0.024028  -0.083495
+    1SOL     H6    6  -0.280281  -0.050585   0.039178
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093695   0.005574  -0.018775
+    0SOL     H3    3  -0.039922   0.065290  -0.057495
+    1SOL     O4    4   0.260948   0.010568   0.016257
+    1SOL     H5    5   0.288470   0.090725   0.060750
+    1SOL     H6    6   0.286788   0.023677  -0.074972
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/361/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036005   0.037799   0.080232
+    0SOL     H3    3   0.076038  -0.012833  -0.056708
+    1SOL     O4    4   0.288445   0.120876  -0.123052
+    1SOL     H5    5   0.371782   0.075654  -0.136172
+    1SOL     H6    6   0.291540   0.151034  -0.032259
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042490   0.037420   0.077180
+    0SOL     H3    3  -0.086979  -0.025715   0.030588
+    1SOL     O4    4   0.104494   0.157189   0.207101
+    1SOL     H5    5   0.067202   0.130340   0.291071
+    1SOL     H6    6   0.084958   0.250692   0.200965
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/363/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013482  -0.045040  -0.083378
+    0SOL     H3    3   0.063193  -0.054569   0.046810
+    1SOL     O4    4   0.042354   0.263393   0.061166
+    1SOL     H5    5  -0.047394   0.296030   0.067673
+    1SOL     H6    6   0.032941   0.168327   0.055143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/364/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071960   0.002427  -0.063072
+    0SOL     H3    3  -0.064726  -0.058304  -0.039669
+    1SOL     O4    4  -0.146555  -0.208990  -0.162681
+    1SOL     H5    5  -0.088687  -0.281801  -0.140050
+    1SOL     H6    6  -0.110292  -0.173903  -0.244022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/365/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046132   0.001702   0.083853
+    0SOL     H3    3   0.067537   0.019567  -0.064948
+    1SOL     O4    4   0.041215  -0.103078  -0.287800
+    1SOL     H5    5  -0.032882  -0.163219  -0.280381
+    1SOL     H6    6   0.072951  -0.115025  -0.377312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/366/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032980  -0.004878  -0.089726
+    0SOL     H3    3   0.026942  -0.082683   0.040000
+    1SOL     O4    4   0.205606  -0.207107   0.029260
+    1SOL     H5    5   0.248715  -0.234658   0.110161
+    1SOL     H6    6   0.150962  -0.281720   0.004574
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/367/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076460  -0.004900   0.057378
+    0SOL     H3    3  -0.018356  -0.062809  -0.069860
+    1SOL     O4    4  -0.038499   0.228927  -0.205701
+    1SOL     H5    5   0.037413   0.177809  -0.233747
+    1SOL     H6    6  -0.042628   0.215764  -0.110980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/368/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074615  -0.019985  -0.056529
+    0SOL     H3    3   0.024879  -0.084418   0.037643
+    1SOL     O4    4  -0.132401  -0.046358  -0.295986
+    1SOL     H5    5  -0.103112  -0.055271  -0.386678
+    1SOL     H6    6  -0.086131   0.030796  -0.263296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/369/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038613  -0.014633   0.086356
+    0SOL     H3    3  -0.089021  -0.034397   0.007375
+    1SOL     O4    4  -0.056769   0.215992  -0.195300
+    1SOL     H5    5  -0.090439   0.127359  -0.182149
+    1SOL     H6    6  -0.130119   0.264087  -0.233627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/370/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000932  -0.071383   0.063765
+    0SOL     H3    3  -0.088882   0.035218   0.004698
+    1SOL     O4    4  -0.251538   0.095446   0.000440
+    1SOL     H5    5  -0.256266   0.154559  -0.074698
+    1SOL     H6    6  -0.229409   0.152203   0.074273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/371/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049709  -0.038433  -0.072209
+    0SOL     H3    3   0.066673   0.035193   0.058979
+    1SOL     O4    4  -0.171390  -0.258123  -0.076321
+    1SOL     H5    5  -0.170997  -0.169475  -0.112428
+    1SOL     H6    6  -0.085333  -0.267811  -0.035547
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/372/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079688   0.049228   0.019716
+    0SOL     H3    3   0.028164  -0.091462  -0.001976
+    1SOL     O4    4   0.235157   0.089932   0.088547
+    1SOL     H5    5   0.290175   0.096113   0.010463
+    1SOL     H6    6   0.192694   0.175488   0.094820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/373/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092416   0.011691   0.022020
+    0SOL     H3    3  -0.044294  -0.005799   0.084656
+    1SOL     O4    4  -0.166714  -0.075917  -0.218960
+    1SOL     H5    5  -0.136458  -0.000624  -0.168189
+    1SOL     H6    6  -0.218674  -0.037815  -0.289747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/374/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085551  -0.042923   0.001004
+    0SOL     H3    3  -0.054363  -0.053480   0.057853
+    1SOL     O4    4   0.270402  -0.019304  -0.002313
+    1SOL     H5    5   0.246969  -0.030655   0.089798
+    1SOL     H6    6   0.321978  -0.097049  -0.023712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/375/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087195   0.038064   0.010511
+    0SOL     H3    3   0.029802  -0.016769   0.089403
+    1SOL     O4    4   0.121497   0.185209  -0.166241
+    1SOL     H5    5   0.044247   0.167905  -0.112432
+    1SOL     H6    6   0.116643   0.278783  -0.185807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/376/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065335  -0.069834  -0.004110
+    0SOL     H3    3  -0.084098  -0.045581  -0.003486
+    1SOL     O4    4   0.073721   0.251652   0.083234
+    1SOL     H5    5   0.054390   0.172459   0.033063
+    1SOL     H6    6   0.135232   0.300373   0.028416
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/377/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058724   0.024046   0.071663
+    0SOL     H3    3   0.038617   0.040929  -0.077433
+    1SOL     O4    4  -0.184598  -0.111015  -0.241466
+    1SOL     H5    5  -0.238717  -0.165535  -0.298570
+    1SOL     H6    6  -0.163227  -0.167711  -0.167363
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037762  -0.013229  -0.086956
+    0SOL     H3    3  -0.055918   0.077094  -0.009594
+    1SOL     O4    4  -0.258691  -0.131913   0.055466
+    1SOL     H5    5  -0.210382  -0.082735   0.121875
+    1SOL     H6    6  -0.263405  -0.220964   0.090251
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080281   0.052079   0.002258
+    0SOL     H3    3   0.005081  -0.048367  -0.082445
+    1SOL     O4    4  -0.030917  -0.106354   0.282257
+    1SOL     H5    5  -0.083953  -0.089795   0.204313
+    1SOL     H6    6  -0.085303  -0.076386   0.355102
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038656   0.087552   0.001624
+    0SOL     H3    3   0.041942  -0.043377  -0.074307
+    1SOL     O4    4   0.239855  -0.113677  -0.109996
+    1SOL     H5    5   0.267206  -0.066108  -0.188427
+    1SOL     H6    6   0.293927  -0.192661  -0.109755
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094682   0.003517   0.013614
+    0SOL     H3    3  -0.012994  -0.074056  -0.059239
+    1SOL     O4    4  -0.258910   0.069772   0.081927
+    1SOL     H5    5  -0.232515   0.017225   0.006399
+    1SOL     H6    6  -0.176639   0.092661   0.125169
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082131  -0.027893  -0.040483
+    0SOL     H3    3  -0.024681   0.026378   0.088642
+    1SOL     O4    4  -0.066946   0.115569   0.224355
+    1SOL     H5    5  -0.160530   0.107306   0.242684
+    1SOL     H6    6  -0.024313   0.095605   0.307698
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013653  -0.017404   0.093129
+    0SOL     H3    3  -0.032938  -0.082658  -0.035285
+    1SOL     O4    4  -0.303435   0.027568  -0.060770
+    1SOL     H5    5  -0.255877  -0.039009  -0.011091
+    1SOL     H6    6  -0.395616   0.003957  -0.050408
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031457   0.088331  -0.019247
+    0SOL     H3    3  -0.069481  -0.039229   0.052875
+    1SOL     O4    4  -0.175668  -0.102832   0.188539
+    1SOL     H5    5  -0.192871  -0.188610   0.227378
+    1SOL     H6    6  -0.260420  -0.058368   0.190058
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073663   0.060942  -0.004707
+    0SOL     H3    3  -0.006879  -0.022208   0.092854
+    1SOL     O4    4  -0.149434   0.256476  -0.150832
+    1SOL     H5    5  -0.076361   0.266186  -0.089773
+    1SOL     H6    6  -0.227367   0.256923  -0.095258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/386/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034278  -0.086128  -0.023861
+    0SOL     H3    3   0.071803   0.015124  -0.061465
+    1SOL     O4    4   0.050466   0.090118   0.232138
+    1SOL     H5    5   0.032454   0.060459   0.142929
+    1SOL     H6    6  -0.033286   0.081479   0.277671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/387/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023437   0.077720  -0.050721
+    0SOL     H3    3   0.047139  -0.071583  -0.042616
+    1SOL     O4    4   0.111635  -0.218467  -0.114212
+    1SOL     H5    5   0.187561  -0.193971  -0.167104
+    1SOL     H6    6   0.037887  -0.215230  -0.175146
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/388/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066099  -0.063321   0.027995
+    0SOL     H3    3   0.030939   0.083790   0.034414
+    1SOL     O4    4  -0.051624   0.125746   0.303915
+    1SOL     H5    5  -0.142741   0.141044   0.328934
+    1SOL     H6    6  -0.045128   0.160041   0.214786
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072486  -0.046602  -0.041670
+    0SOL     H3    3   0.021430   0.070546  -0.061044
+    1SOL     O4    4  -0.181344  -0.154845  -0.050652
+    1SOL     H5    5  -0.251686  -0.163417  -0.115002
+    1SOL     H6    6  -0.192234  -0.230458   0.007022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/390/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066422   0.051284  -0.046048
+    0SOL     H3    3  -0.039604  -0.054532  -0.067972
+    1SOL     O4    4  -0.142192  -0.149645  -0.189076
+    1SOL     H5    5  -0.234730  -0.134301  -0.208146
+    1SOL     H6    6  -0.118313  -0.224052  -0.244353
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016268   0.064486  -0.068842
+    0SOL     H3    3  -0.088271   0.019943   0.031190
+    1SOL     O4    4   0.095421   0.269272   0.021757
+    1SOL     H5    5   0.167559   0.215858   0.055006
+    1SOL     H6    6   0.136493   0.328599  -0.041136
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/392/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086583   0.018196  -0.036533
+    0SOL     H3    3   0.004049   0.033974   0.089396
+    1SOL     O4    4   0.244814   0.090559  -0.112985
+    1SOL     H5    5   0.333913   0.057990  -0.125752
+    1SOL     H6    6   0.243745   0.175476  -0.157147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/393/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045033   0.070905  -0.045899
+    0SOL     H3    3   0.022164   0.013196   0.092179
+    1SOL     O4    4  -0.238968   0.114385  -0.093153
+    1SOL     H5    5  -0.156147   0.071541  -0.071533
+    1SOL     H6    6  -0.234753   0.128414  -0.187746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/394/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024129   0.003465   0.092564
+    0SOL     H3    3  -0.083352   0.005423  -0.046747
+    1SOL     O4    4   0.247101  -0.077188  -0.090264
+    1SOL     H5    5   0.293949  -0.134806  -0.029867
+    1SOL     H6    6   0.154633  -0.090951  -0.069704
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/395/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073447   0.051857  -0.032844
+    0SOL     H3    3  -0.070334   0.015366  -0.063082
+    1SOL     O4    4   0.272554  -0.147391   0.101040
+    1SOL     H5    5   0.360869  -0.176857   0.078802
+    1SOL     H6    6   0.249660  -0.085631   0.031586
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/396/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072426  -0.054135   0.031405
+    0SOL     H3    3   0.077937  -0.053830   0.013800
+    1SOL     O4    4  -0.266216   0.045328  -0.180313
+    1SOL     H5    5  -0.359485   0.024142  -0.176524
+    1SOL     H6    6  -0.258707   0.128929  -0.134304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/397/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048860   0.025067   0.078401
+    0SOL     H3    3  -0.057603  -0.061378  -0.045574
+    1SOL     O4    4  -0.184202  -0.193947  -0.066322
+    1SOL     H5    5  -0.213988  -0.235884   0.014403
+    1SOL     H6    6  -0.263636  -0.157004  -0.104895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/398/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076847   0.054162  -0.017981
+    0SOL     H3    3   0.074513   0.056994  -0.019024
+    1SOL     O4    4  -0.229451   0.118891  -0.099497
+    1SOL     H5    5  -0.298621   0.057521  -0.124225
+    1SOL     H6    6  -0.272569   0.181473  -0.041303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/399/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080523  -0.051634   0.003508
+    0SOL     H3    3   0.027565   0.088975   0.022042
+    1SOL     O4    4  -0.176831  -0.179682  -0.122317
+    1SOL     H5    5  -0.239688  -0.164641  -0.051712
+    1SOL     H6    6  -0.099288  -0.129892  -0.096425
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012885  -0.047098   0.082329
+    0SOL     H3    3  -0.037061  -0.057748  -0.066739
+    1SOL     O4    4  -0.134800  -0.169619  -0.229606
+    1SOL     H5    5  -0.120073  -0.263522  -0.240905
+    1SOL     H6    6  -0.166184  -0.160908  -0.139598
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/401/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027475   0.044230  -0.080319
+    0SOL     H3    3  -0.058754  -0.069464  -0.029750
+    1SOL     O4    4   0.243769   0.166253  -0.087468
+    1SOL     H5    5   0.330413   0.199052  -0.111538
+    1SOL     H6    6   0.185257   0.240766  -0.101124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/402/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037279   0.034191  -0.081263
+    0SOL     H3    3  -0.049852   0.043245   0.069333
+    1SOL     O4    4   0.253148   0.089148   0.013015
+    1SOL     H5    5   0.159121   0.071636   0.009188
+    1SOL     H6    6   0.270149   0.108917   0.105115
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/403/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077414   0.031970   0.046339
+    0SOL     H3    3   0.021705  -0.090187  -0.023613
+    1SOL     O4    4  -0.211286   0.147067   0.125461
+    1SOL     H5    5  -0.205559   0.115173   0.215529
+    1SOL     H6    6  -0.174070   0.076480   0.072594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/404/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044133   0.077681  -0.034355
+    0SOL     H3    3   0.089293   0.029241   0.018274
+    1SOL     O4    4  -0.037297  -0.233590   0.135113
+    1SOL     H5    5  -0.116091  -0.283209   0.112938
+    1SOL     H6    6  -0.050967  -0.147709   0.095115
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/405/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068002  -0.045577  -0.049607
+    0SOL     H3    3  -0.020553   0.092858  -0.010833
+    1SOL     O4    4  -0.181217  -0.110043  -0.177310
+    1SOL     H5    5  -0.229702  -0.027517  -0.178342
+    1SOL     H6    6  -0.130245  -0.108945  -0.258322
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/406/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095146   0.010223   0.002232
+    0SOL     H3    3  -0.033310   0.088524  -0.014705
+    1SOL     O4    4   0.077587   0.116820  -0.250298
+    1SOL     H5    5   0.021493   0.045354  -0.280438
+    1SOL     H6    6   0.073890   0.111585  -0.154792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/407/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086283   0.023857   0.033888
+    0SOL     H3    3   0.009258   0.005347  -0.095121
+    1SOL     O4    4  -0.155846   0.175884   0.132119
+    1SOL     H5    5  -0.110536   0.202537   0.212111
+    1SOL     H6    6  -0.109723   0.097024   0.103552
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/408/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062289  -0.049272   0.053429
+    0SOL     H3    3   0.076774   0.010502   0.056195
+    1SOL     O4    4  -0.292115  -0.051867  -0.017723
+    1SOL     H5    5  -0.311281  -0.018399  -0.105330
+    1SOL     H6    6  -0.257907  -0.140009  -0.032658
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/409/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037222   0.016704   0.086590
+    0SOL     H3    3  -0.077613   0.055883  -0.003946
+    1SOL     O4    4   0.031157  -0.135221  -0.210997
+    1SOL     H5    5  -0.045111  -0.135475  -0.268837
+    1SOL     H6    6   0.007384  -0.075351  -0.140197
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/410/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026943  -0.022774   0.088982
+    0SOL     H3    3   0.054549  -0.054853  -0.056372
+    1SOL     O4    4  -0.160404  -0.017540  -0.332273
+    1SOL     H5    5  -0.204449   0.058539  -0.370144
+    1SOL     H6    6  -0.223815  -0.088726  -0.340872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/411/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082839  -0.047784   0.004093
+    0SOL     H3    3  -0.026834  -0.006298  -0.091666
+    1SOL     O4    4   0.074244   0.263730  -0.021645
+    1SOL     H5    5   0.128762   0.281245  -0.098348
+    1SOL     H6    6   0.065959   0.168397  -0.019355
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/412/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069359  -0.065948  -0.001587
+    0SOL     H3    3   0.002596   0.034253  -0.089344
+    1SOL     O4    4   0.171249  -0.111971   0.167437
+    1SOL     H5    5   0.123966  -0.042533   0.121556
+    1SOL     H6    6   0.208471  -0.165841   0.097617
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/413/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052963  -0.079653  -0.003551
+    0SOL     H3    3  -0.045540   0.002310  -0.084161
+    1SOL     O4    4  -0.121389  -0.083882   0.217579
+    1SOL     H5    5  -0.067066  -0.053815   0.144728
+    1SOL     H6    6  -0.207830  -0.097821   0.178901
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091616  -0.001554   0.027683
+    0SOL     H3    3   0.003791   0.012500  -0.094825
+    1SOL     O4    4  -0.039786   0.258586  -0.027209
+    1SOL     H5    5  -0.004350   0.299345  -0.106237
+    1SOL     H6    6  -0.001656   0.170793  -0.026324
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/415/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034993  -0.078025  -0.043012
+    0SOL     H3    3   0.046867   0.046594  -0.069245
+    1SOL     O4    4   0.219763  -0.166708  -0.030748
+    1SOL     H5    5   0.308927  -0.148983  -0.000782
+    1SOL     H6    6   0.165956  -0.101483   0.014117
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014855  -0.004172  -0.094468
+    0SOL     H3    3  -0.078063   0.043191   0.034684
+    1SOL     O4    4   0.138700  -0.019380  -0.242908
+    1SOL     H5    5   0.084799  -0.015975  -0.321936
+    1SOL     H6    6   0.185229  -0.102795  -0.249169
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/417/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049714  -0.018794  -0.079609
+    0SOL     H3    3  -0.091171  -0.016174  -0.024260
+    1SOL     O4    4  -0.233467  -0.095964   0.065531
+    1SOL     H5    5  -0.289187  -0.173789   0.064652
+    1SOL     H6    6  -0.250332  -0.055333   0.150543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/418/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076529  -0.038011  -0.043137
+    0SOL     H3    3   0.074766  -0.035675  -0.047954
+    1SOL     O4    4   0.239625   0.133977   0.115260
+    1SOL     H5    5   0.200908   0.101723   0.033878
+    1SOL     H6    6   0.302283   0.200693   0.087236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/419/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030337   0.090598  -0.005834
+    0SOL     H3    3   0.083835   0.005669   0.045847
+    1SOL     O4    4   0.184211  -0.236350  -0.178867
+    1SOL     H5    5   0.209888  -0.316316  -0.224785
+    1SOL     H6    6   0.116270  -0.264595  -0.117642
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026045   0.031224   0.086655
+    0SOL     H3    3   0.062196  -0.069958  -0.019995
+    1SOL     O4    4   0.134857   0.180879  -0.152885
+    1SOL     H5    5   0.075553   0.170584  -0.078459
+    1SOL     H6    6   0.097388   0.125379  -0.221282
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076559   0.057454  -0.000368
+    0SOL     H3    3   0.010726  -0.026275  -0.091416
+    1SOL     O4    4  -0.038892  -0.216666   0.180889
+    1SOL     H5    5  -0.090148  -0.142856   0.213862
+    1SOL     H6    6   0.016069  -0.178937   0.112201
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+    6
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+    0SOL     H2    2  -0.036487  -0.046332   0.075395
+    0SOL     H3    3  -0.027295   0.090931   0.012202
+    1SOL     O4    4   0.194606   0.036370   0.200153
+    1SOL     H5    5   0.120766  -0.012570   0.236414
+    1SOL     H6    6   0.171925   0.049297   0.108062
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071093  -0.020365   0.060774
+    0SOL     H3    3  -0.028669   0.079673  -0.044638
+    1SOL     O4    4   0.044585  -0.347580   0.053712
+    1SOL     H5    5   0.078055  -0.421163   0.002452
+    1SOL     H6    6  -0.037483  -0.379710   0.091061
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016319   0.086971  -0.036498
+    0SOL     H3    3   0.084469  -0.044661  -0.005715
+    1SOL     O4    4   0.171470  -0.174271  -0.098589
+    1SOL     H5    5   0.125507  -0.159482  -0.181239
+    1SOL     H6    6   0.153227  -0.265726  -0.077015
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000496   0.095717   0.000625
+    0SOL     H3    3   0.065252  -0.023230  -0.066067
+    1SOL     O4    4   0.148660  -0.199879  -0.152508
+    1SOL     H5    5   0.191545  -0.273690  -0.109205
+    1SOL     H6    6   0.064665  -0.234941  -0.182136
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077899   0.027460  -0.048373
+    0SOL     H3    3   0.026724   0.002394   0.091883
+    1SOL     O4    4   0.237490  -0.008056  -0.214908
+    1SOL     H5    5   0.295308   0.035847  -0.277293
+    1SOL     H6    6   0.149177   0.015357  -0.243457
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007495   0.095426  -0.000165
+    0SOL     H3    3  -0.071000  -0.029551   0.056991
+    1SOL     O4    4  -0.050991  -0.018408   0.320440
+    1SOL     H5    5   0.028698   0.008139   0.366345
+    1SOL     H6    6  -0.075889  -0.101209   0.361504
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040141  -0.015140   0.085567
+    0SOL     H3    3   0.087887   0.032174   0.020076
+    1SOL     O4    4   0.040880  -0.150683   0.278227
+    1SOL     H5    5   0.060626  -0.208165   0.352175
+    1SOL     H6    6  -0.054638  -0.144511   0.277467
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044942   0.058897  -0.060610
+    0SOL     H3    3   0.029256   0.056729   0.071332
+    1SOL     O4    4  -0.210459   0.185322   0.092123
+    1SOL     H5    5  -0.249521   0.102741   0.063541
+    1SOL     H6    6  -0.279775   0.250180   0.079835
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+    6
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+    0SOL     H2    2   0.034889  -0.064372  -0.061655
+    0SOL     H3    3   0.077484   0.042853   0.036362
+    1SOL     O4    4  -0.104783   0.089995   0.271690
+    1SOL     H5    5  -0.025771   0.129321   0.308745
+    1SOL     H6    6  -0.092724   0.096610   0.176963
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+    6
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+    0SOL     H2    2  -0.044365  -0.004631  -0.084692
+    0SOL     H3    3   0.037850   0.087883   0.002492
+    1SOL     O4    4  -0.110353   0.259436  -0.105742
+    1SOL     H5    5  -0.120035   0.193560  -0.174510
+    1SOL     H6    6  -0.151880   0.220224  -0.028928
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039607   0.059095   0.064042
+    0SOL     H3    3  -0.032186   0.057731  -0.069235
+    1SOL     O4    4  -0.053589   0.082403  -0.260867
+    1SOL     H5    5  -0.000153   0.144743  -0.310068
+    1SOL     H6    6  -0.097283   0.030013  -0.328012
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046698   0.082710   0.011861
+    0SOL     H3    3  -0.090981   0.025734  -0.014920
+    1SOL     O4    4  -0.228944   0.129323   0.007458
+    1SOL     H5    5  -0.300777   0.066081   0.005777
+    1SOL     H6    6  -0.271812   0.214008   0.019830
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050323   0.001248   0.081415
+    0SOL     H3    3  -0.091222   0.007328   0.028057
+    1SOL     O4    4   0.136142  -0.012932   0.233908
+    1SOL     H5    5   0.145975   0.080377   0.214962
+    1SOL     H6    6   0.216251  -0.036492   0.280703
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+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/435/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074595  -0.024343  -0.054821
+    0SOL     H3    3   0.076702  -0.019098  -0.053986
+    1SOL     O4    4  -0.273861   0.001230   0.129889
+    1SOL     H5    5  -0.256597   0.095107   0.137048
+    1SOL     H6    6  -0.264495  -0.017845   0.036558
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063257   0.071397  -0.007962
+    0SOL     H3    3  -0.005384  -0.037221  -0.088022
+    1SOL     O4    4   0.046812  -0.164305  -0.233006
+    1SOL     H5    5   0.067701  -0.257706  -0.231528
+    1SOL     H6    6   0.073269  -0.135174  -0.320263
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009961  -0.067090  -0.067543
+    0SOL     H3    3  -0.060692   0.069336  -0.025910
+    1SOL     O4    4  -0.079895   0.141349   0.261716
+    1SOL     H5    5  -0.033984   0.078104   0.206449
+    1SOL     H6    6  -0.082270   0.221554   0.209525
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093245   0.004469  -0.021159
+    0SOL     H3    3  -0.037468  -0.055622  -0.068298
+    1SOL     O4    4   0.075006   0.258515  -0.144516
+    1SOL     H5    5   0.114155   0.265310  -0.057433
+    1SOL     H6    6   0.134601   0.201631  -0.193248
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003172   0.067998  -0.067294
+    0SOL     H3    3  -0.072513   0.025882   0.056870
+    1SOL     O4    4  -0.189864  -0.102228   0.237926
+    1SOL     H5    5  -0.117906  -0.047105   0.268681
+    1SOL     H6    6  -0.158136  -0.191789   0.249522
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075752  -0.057355  -0.011588
+    0SOL     H3    3  -0.020758   0.030483  -0.088330
+    1SOL     O4    4   0.133116   0.232896   0.125436
+    1SOL     H5    5   0.044511   0.210739   0.096792
+    1SOL     H6    6   0.120284   0.289247   0.201739
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2  -0.073656  -0.020485  -0.057598
+    0SOL     H3    3   0.059396  -0.074447  -0.009596
+    1SOL     O4    4  -0.146443  -0.105919  -0.206462
+    1SOL     H5    5  -0.101547  -0.184428  -0.175111
+    1SOL     H6    6  -0.093938  -0.076329  -0.280826
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2   0.090459  -0.012131   0.028849
+    0SOL     H3    3  -0.005112  -0.046867  -0.083305
+    1SOL     O4    4   0.294949  -0.002822  -0.009437
+    1SOL     H5    5   0.389202   0.009990   0.001259
+    1SOL     H6    6   0.282533  -0.097401  -0.001510
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051862  -0.005502  -0.080264
+    0SOL     H3    3   0.090874  -0.000436  -0.030068
+    1SOL     O4    4   0.229540   0.039300  -0.137682
+    1SOL     H5    5   0.251797  -0.051721  -0.118134
+    1SOL     H6    6   0.199386   0.037656  -0.228514
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086752   0.006111  -0.039989
+    0SOL     H3    3   0.012540  -0.093546   0.015945
+    1SOL     O4    4   0.322824  -0.009339   0.049135
+    1SOL     H5    5   0.267879  -0.085576   0.030933
+    1SOL     H6    6   0.280706   0.062438   0.001844
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/445/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087022   0.026820   0.029500
+    0SOL     H3    3   0.059107   0.030339   0.068908
+    1SOL     O4    4   0.077886  -0.237546   0.205196
+    1SOL     H5    5   0.124580  -0.210611   0.126097
+    1SOL     H6    6   0.123355  -0.192548   0.276401
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/446/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093839   0.016942  -0.008333
+    0SOL     H3    3  -0.033147   0.003876  -0.089714
+    1SOL     O4    4   0.185078   0.165344   0.199453
+    1SOL     H5    5   0.203472   0.072051   0.188477
+    1SOL     H6    6   0.097843   0.177189   0.161876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/447/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058864  -0.029949   0.069285
+    0SOL     H3    3  -0.004539  -0.068557  -0.066646
+    1SOL     O4    4   0.179370  -0.184923  -0.010521
+    1SOL     H5    5   0.189210  -0.165532  -0.103738
+    1SOL     H6    6   0.102415  -0.134784   0.016429
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050990  -0.042449  -0.068996
+    0SOL     H3    3   0.083850  -0.046167  -0.000270
+    1SOL     O4    4  -0.073548  -0.085311   0.229315
+    1SOL     H5    5  -0.075962  -0.039067   0.145541
+    1SOL     H6    6  -0.151013  -0.054193   0.276146
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/449/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027969   0.019600   0.089420
+    0SOL     H3    3  -0.042430  -0.085568   0.006338
+    1SOL     O4    4   0.092567  -0.210786   0.140578
+    1SOL     H5    5   0.081367  -0.305848   0.140932
+    1SOL     H6    6   0.179511  -0.196725   0.178064
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011246  -0.079896  -0.051502
+    0SOL     H3    3  -0.080918   0.038817  -0.033284
+    1SOL     O4    4  -0.263881  -0.022373   0.135168
+    1SOL     H5    5  -0.316460  -0.079446   0.191207
+    1SOL     H6    6  -0.189869  -0.076764   0.108223
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068191   0.063187   0.022798
+    0SOL     H3    3  -0.063786   0.050631  -0.050300
+    1SOL     O4    4  -0.017338  -0.152715  -0.296851
+    1SOL     H5    5   0.016020  -0.169086  -0.208638
+    1SOL     H6    6  -0.023694  -0.239557  -0.336605
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042582  -0.085456   0.006809
+    0SOL     H3    3   0.015621   0.011630  -0.093718
+    1SOL     O4    4   0.025738   0.092999  -0.235196
+    1SOL     H5    5   0.062052   0.179914  -0.252208
+    1SOL     H6    6   0.044914   0.043025  -0.314550
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053028  -0.055618   0.057071
+    0SOL     H3    3   0.084538   0.006314   0.044451
+    1SOL     O4    4   0.208602  -0.003340  -0.229796
+    1SOL     H5    5   0.208303  -0.010529  -0.134347
+    1SOL     H6    6   0.267425  -0.073009  -0.258926
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040391   0.080451   0.032535
+    0SOL     H3    3   0.035409  -0.042390   0.078176
+    1SOL     O4    4   0.142128   0.004273  -0.286880
+    1SOL     H5    5   0.123573   0.036516  -0.198684
+    1SOL     H6    6   0.162134  -0.088548  -0.274783
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012779   0.012664  -0.094014
+    0SOL     H3    3   0.084428   0.022710   0.038969
+    1SOL     O4    4  -0.304604   0.085540   0.070674
+    1SOL     H5    5  -0.235474   0.076286   0.136231
+    1SOL     H6    6  -0.261792   0.064936  -0.012422
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+    6
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+    0SOL     H2    2  -0.011392   0.055134  -0.077413
+    0SOL     H3    3  -0.023586  -0.087954  -0.029497
+    1SOL     O4    4  -0.098241  -0.066346   0.273059
+    1SOL     H5    5  -0.065840  -0.102147   0.190410
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071891   0.058792  -0.023184
+    0SOL     H3    3  -0.033690   0.034698   0.082604
+    1SOL     O4    4   0.206447   0.176719   0.164522
+    1SOL     H5    5   0.162557   0.130514   0.235944
+    1SOL     H6    6   0.259138   0.243716   0.208081
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087256  -0.026946   0.028680
+    0SOL     H3    3  -0.046118  -0.082144  -0.016963
+    1SOL     O4    4  -0.296991   0.103711  -0.065062
+    1SOL     H5    5  -0.382596   0.138706  -0.040375
+    1SOL     H6    6  -0.250304   0.178528  -0.102278
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017422   0.087167   0.035505
+    0SOL     H3    3  -0.095029  -0.002829  -0.011123
+    1SOL     O4    4  -0.050416  -0.075582   0.263313
+    1SOL     H5    5  -0.069816   0.009398   0.302867
+    1SOL     H6    6  -0.036242  -0.056246   0.170645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/460/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053906   0.024260   0.075285
+    0SOL     H3    3  -0.011625   0.081692  -0.048514
+    1SOL     O4    4   0.226606  -0.158737  -0.077933
+    1SOL     H5    5   0.260419  -0.147853   0.010952
+    1SOL     H6    6   0.175509  -0.079417  -0.094052
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/461/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059290   0.075078  -0.003213
+    0SOL     H3    3  -0.040824  -0.060172   0.062250
+    1SOL     O4    4   0.103906  -0.244571  -0.116010
+    1SOL     H5    5   0.139352  -0.187217  -0.183954
+    1SOL     H6    6   0.045248  -0.188382  -0.065371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/462/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034898   0.012602   0.088236
+    0SOL     H3    3   0.084061   0.045777   0.000675
+    1SOL     O4    4   0.301048  -0.047746   0.032175
+    1SOL     H5    5   0.368015  -0.114015   0.015262
+    1SOL     H6    6   0.341974   0.012400   0.094383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/463/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030840   0.076360  -0.048789
+    0SOL     H3    3   0.066566   0.034735   0.059370
+    1SOL     O4    4   0.012487  -0.246736   0.085198
+    1SOL     H5    5   0.004925  -0.168656   0.030347
+    1SOL     H6    6   0.028289  -0.318069   0.023357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/464/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062998   0.063912  -0.033300
+    0SOL     H3    3  -0.036346  -0.027997   0.084008
+    1SOL     O4    4  -0.005248  -0.011556   0.278865
+    1SOL     H5    5  -0.031131  -0.096133   0.315460
+    1SOL     H6    6  -0.045670   0.053040   0.336795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/465/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088872  -0.035435   0.002898
+    0SOL     H3    3   0.022033   0.017056   0.091575
+    1SOL     O4    4   0.143167   0.050433   0.223808
+    1SOL     H5    5   0.121516   0.078657   0.312673
+    1SOL     H6    6   0.223594  -0.000511   0.233733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/466/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016358   0.093777   0.010027
+    0SOL     H3    3  -0.086046  -0.040619   0.010415
+    1SOL     O4    4   0.072924   0.255007   0.030251
+    1SOL     H5    5   0.149458   0.247608  -0.026758
+    1SOL     H6    6   0.107055   0.239679   0.118356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/467/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026811  -0.027308   0.087737
+    0SOL     H3    3  -0.076788  -0.016386  -0.054748
+    1SOL     O4    4   0.082438   0.248270   0.059920
+    1SOL     H5    5   0.024332   0.320104   0.034902
+    1SOL     H6    6   0.051005   0.173277   0.009420
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/468/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036924  -0.080954  -0.035291
+    0SOL     H3    3   0.024084   0.067173  -0.063797
+    1SOL     O4    4   0.132574   0.193299   0.172386
+    1SOL     H5    5   0.164899   0.226170   0.088499
+    1SOL     H6    6   0.062265   0.132724   0.148941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/469/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029655  -0.025859  -0.087259
+    0SOL     H3    3   0.080396   0.021592   0.047250
+    1SOL     O4    4   0.160035   0.270707  -0.129502
+    1SOL     H5    5   0.153078   0.177603  -0.150610
+    1SOL     H6    6   0.252154   0.291911  -0.144559
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/470/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095487   0.006630   0.000727
+    0SOL     H3    3   0.025454   0.010056   0.091724
+    1SOL     O4    4   0.132679   0.240657  -0.016450
+    1SOL     H5    5   0.221486   0.243427   0.019157
+    1SOL     H6    6   0.091440   0.166390   0.027666
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/471/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070065  -0.064094  -0.012047
+    0SOL     H3    3  -0.079876  -0.052477   0.005318
+    1SOL     O4    4  -0.299766   0.130581  -0.085818
+    1SOL     H5    5  -0.362368   0.200979  -0.102773
+    1SOL     H6    6  -0.278331   0.139379   0.007055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/472/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008354  -0.082683   0.047497
+    0SOL     H3    3  -0.090214   0.027939  -0.015594
+    1SOL     O4    4  -0.040300  -0.013108  -0.268729
+    1SOL     H5    5  -0.062979  -0.082683  -0.207025
+    1SOL     H6    6   0.017933   0.044671  -0.219406
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/473/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091813   0.002172   0.026982
+    0SOL     H3    3  -0.012504  -0.088007  -0.035507
+    1SOL     O4    4   0.005407  -0.236660  -0.167727
+    1SOL     H5    5  -0.009385  -0.330975  -0.160779
+    1SOL     H6    6   0.025575  -0.222278  -0.260186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/474/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070093  -0.060481   0.024320
+    0SOL     H3    3  -0.009634   0.057380   0.076007
+    1SOL     O4    4  -0.066356   0.161427  -0.216994
+    1SOL     H5    5  -0.095290   0.133282  -0.303786
+    1SOL     H6    6  -0.045393   0.080067  -0.171131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/475/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008290  -0.091135   0.028070
+    0SOL     H3    3   0.088359   0.024889  -0.027122
+    1SOL     O4    4   0.279010   0.132846   0.171708
+    1SOL     H5    5   0.252522   0.215713   0.211629
+    1SOL     H6    6   0.313502   0.157494   0.085888
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/476/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089637   0.019918  -0.027033
+    0SOL     H3    3   0.054955   0.049325  -0.060904
+    1SOL     O4    4   0.016449   0.196488   0.204370
+    1SOL     H5    5   0.064108   0.204037   0.121703
+    1SOL     H6    6  -0.075184   0.186810   0.178447
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/477/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049242   0.016177  -0.080473
+    0SOL     H3    3  -0.047251   0.048986   0.067306
+    1SOL     O4    4  -0.106298   0.184328   0.169926
+    1SOL     H5    5  -0.047885   0.225050   0.233895
+    1SOL     H6    6  -0.185600   0.163850   0.219465
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/478/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061618  -0.038765   0.062151
+    0SOL     H3    3  -0.055343   0.036694  -0.068942
+    1SOL     O4    4   0.049851  -0.241857  -0.048764
+    1SOL     H5    5   0.134353  -0.265468  -0.087029
+    1SOL     H6    6   0.050713  -0.146184  -0.045864
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/479/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039267   0.076599   0.041869
+    0SOL     H3    3   0.041235  -0.048079   0.071767
+    1SOL     O4    4   0.034246   0.300832  -0.172712
+    1SOL     H5    5  -0.040937   0.325024  -0.118633
+    1SOL     H6    6   0.064314   0.383531  -0.210384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/480/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055593   0.050384  -0.059440
+    0SOL     H3    3  -0.001196  -0.088180  -0.037218
+    1SOL     O4    4  -0.159652   0.276466   0.071562
+    1SOL     H5    5  -0.238475   0.315489   0.033793
+    1SOL     H6    6  -0.114281   0.237109  -0.002968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/481/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071350  -0.062210   0.014191
+    0SOL     H3    3   0.074994  -0.054515  -0.023796
+    1SOL     O4    4   0.112455  -0.253686   0.005314
+    1SOL     H5    5   0.112755  -0.337309   0.051890
+    1SOL     H6    6   0.166381  -0.269211  -0.072230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/482/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024773   0.042856  -0.081926
+    0SOL     H3    3  -0.053093  -0.074866  -0.027178
+    1SOL     O4    4  -0.173511  -0.221379   0.027331
+    1SOL     H5    5  -0.232930  -0.223858   0.102335
+    1SOL     H6    6  -0.131230  -0.307255   0.027361
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/483/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005933  -0.091229   0.028361
+    0SOL     H3    3  -0.010513   0.049714   0.081119
+    1SOL     O4    4   0.201466   0.072213  -0.175950
+    1SOL     H5    5   0.165428   0.079005  -0.264366
+    1SOL     H6    6   0.124924   0.060580  -0.119663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/484/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030589   0.000112   0.090701
+    0SOL     H3    3   0.063739   0.071304  -0.003919
+    1SOL     O4    4   0.190811   0.017262   0.257003
+    1SOL     H5    5   0.150495   0.053023   0.336112
+    1SOL     H6    6   0.200332   0.092618   0.198753
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/485/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031241  -0.085867   0.028516
+    0SOL     H3    3  -0.070570   0.060240   0.023522
+    1SOL     O4    4   0.202129  -0.109462   0.278364
+    1SOL     H5    5   0.284007  -0.059935   0.276056
+    1SOL     H6    6   0.164329  -0.089364   0.363977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/486/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068487  -0.065931   0.011182
+    0SOL     H3    3   0.045472   0.083691   0.009510
+    1SOL     O4    4  -0.196233   0.222996   0.011055
+    1SOL     H5    5  -0.227336   0.133028   0.021084
+    1SOL     H6    6  -0.109067   0.222803   0.050608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/487/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046456   0.028481   0.078695
+    0SOL     H3    3  -0.048571  -0.076806  -0.030066
+    1SOL     O4    4   0.152295   0.023738  -0.227825
+    1SOL     H5    5   0.098842   0.030764  -0.148732
+    1SOL     H6    6   0.188830  -0.064666  -0.224326
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/488/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094361  -0.012325   0.010318
+    0SOL     H3    3   0.014865   0.091744   0.022898
+    1SOL     O4    4   0.144171   0.007098  -0.241478
+    1SOL     H5    5   0.088008  -0.024709  -0.170793
+    1SOL     H6    6   0.145075   0.102179  -0.230473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/489/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031184  -0.056501   0.070693
+    0SOL     H3    3   0.070502  -0.001419  -0.064728
+    1SOL     O4    4   0.193564  -0.092930  -0.150733
+    1SOL     H5    5   0.222838  -0.180117  -0.124205
+    1SOL     H6    6   0.140075  -0.108242  -0.228623
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/490/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003499  -0.050499  -0.081240
+    0SOL     H3    3  -0.037685  -0.058143   0.066042
+    1SOL     O4    4  -0.207117   0.173563  -0.008550
+    1SOL     H5    5  -0.149215   0.099452  -0.026361
+    1SOL     H6    6  -0.261285   0.181118  -0.087105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/491/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060049   0.042459   0.061267
+    0SOL     H3    3   0.071227   0.062939  -0.011300
+    1SOL     O4    4   0.183268  -0.217568  -0.067791
+    1SOL     H5    5   0.144641  -0.287047  -0.014472
+    1SOL     H6    6   0.125324  -0.142463  -0.054984
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/492/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005135   0.035182  -0.088872
+    0SOL     H3    3  -0.002767  -0.094938  -0.011895
+    1SOL     O4    4  -0.089430   0.192388  -0.192314
+    1SOL     H5    5  -0.059682   0.248384  -0.264020
+    1SOL     H6    6  -0.184010   0.206595  -0.188421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/493/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070874   0.015080  -0.062544
+    0SOL     H3    3  -0.015837  -0.088301   0.033385
+    1SOL     O4    4   0.208899  -0.089706  -0.132708
+    1SOL     H5    5   0.208318  -0.183101  -0.111746
+    1SOL     H6    6   0.126411  -0.056619  -0.097165
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/494/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018166  -0.091066  -0.023224
+    0SOL     H3    3   0.083078  -0.003440   0.047419
+    1SOL     O4    4   0.242037  -0.061178   0.089361
+    1SOL     H5    5   0.297285  -0.002293   0.037957
+    1SOL     H6    6   0.250752  -0.146123   0.046110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/495/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015700   0.081202  -0.048187
+    0SOL     H3    3  -0.018883   0.022170   0.091182
+    1SOL     O4    4  -0.059459   0.262310  -0.100423
+    1SOL     H5    5   0.034418   0.279111  -0.108624
+    1SOL     H6    6  -0.090304   0.328268  -0.038290
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/496/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036978  -0.027063  -0.084039
+    0SOL     H3    3  -0.025571   0.091276  -0.013310
+    1SOL     O4    4   0.198541   0.084833   0.197598
+    1SOL     H5    5   0.137364   0.032069   0.146259
+    1SOL     H6    6   0.285130   0.054233   0.170609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/497/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074271   0.060383   0.000152
+    0SOL     H3    3   0.058953   0.034638  -0.066986
+    1SOL     O4    4  -0.153780   0.235755  -0.037245
+    1SOL     H5    5  -0.109964   0.304891  -0.086871
+    1SOL     H6    6  -0.138413   0.258596   0.054431
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/498/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035760   0.082067  -0.033889
+    0SOL     H3    3   0.078322  -0.015647  -0.052755
+    1SOL     O4    4   0.312831   0.144847   0.040540
+    1SOL     H5    5   0.263927   0.219289   0.075597
+    1SOL     H6    6   0.363240   0.181351  -0.032182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/499/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078729   0.051600   0.017364
+    0SOL     H3    3  -0.026872  -0.063025  -0.066844
+    1SOL     O4    4   0.289436  -0.056761  -0.166015
+    1SOL     H5    5   0.286034  -0.092790  -0.077399
+    1SOL     H6    6   0.198938  -0.032427  -0.185518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/500/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050046   0.074882   0.032409
+    0SOL     H3    3   0.042895  -0.023768  -0.082203
+    1SOL     O4    4   0.000012   0.396912  -0.035141
+    1SOL     H5    5  -0.092463   0.408364  -0.057041
+    1SOL     H6    6   0.022923   0.475675   0.014192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/501/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039285   0.049900  -0.071617
+    0SOL     H3    3   0.087453   0.037537   0.010258
+    1SOL     O4    4  -0.052421   0.090027  -0.234315
+    1SOL     H5    5  -0.129578   0.070396  -0.287453
+    1SOL     H6    6   0.003390   0.142658  -0.291564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/502/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048838  -0.073783  -0.036514
+    0SOL     H3    3  -0.091848  -0.025783  -0.007837
+    1SOL     O4    4  -0.048015   0.052143  -0.319011
+    1SOL     H5    5  -0.103304   0.111496  -0.268190
+    1SOL     H6    6  -0.109763  -0.001601  -0.368621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/503/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069157   0.044477   0.049005
+    0SOL     H3    3  -0.080960   0.041597   0.029622
+    1SOL     O4    4   0.236715   0.042291   0.126806
+    1SOL     H5    5   0.255563  -0.038614   0.174362
+    1SOL     H6    6   0.264009   0.024177   0.036866
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/504/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078563  -0.007987   0.054096
+    0SOL     H3    3  -0.051062  -0.078425   0.020112
+    1SOL     O4    4  -0.211862   0.142866   0.088040
+    1SOL     H5    5  -0.153716   0.073066   0.057883
+    1SOL     H6    6  -0.287651   0.137807   0.029793
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/505/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042656   0.003875   0.085602
+    0SOL     H3    3  -0.067806  -0.066822   0.009978
+    1SOL     O4    4   0.044310   0.061053  -0.277421
+    1SOL     H5    5   0.025650   0.146041  -0.317310
+    1SOL     H6    6  -0.030773   0.044267  -0.220474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/506/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032294   0.017463  -0.088399
+    0SOL     H3    3   0.013520   0.086728   0.038180
+    1SOL     O4    4  -0.014737  -0.230434   0.147182
+    1SOL     H5    5   0.004356  -0.273751   0.063987
+    1SOL     H6    6  -0.002938  -0.137208   0.128962
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/507/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014917   0.032363  -0.088840
+    0SOL     H3    3   0.015789  -0.094229  -0.005817
+    1SOL     O4    4  -0.088653  -0.138493   0.223691
+    1SOL     H5    5  -0.182646  -0.156596   0.223866
+    1SOL     H6    6  -0.047979  -0.222585   0.244582
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/508/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019286  -0.070363   0.061963
+    0SOL     H3    3  -0.081259   0.050319  -0.005225
+    1SOL     O4    4  -0.101067  -0.196696   0.181772
+    1SOL     H5    5  -0.085127  -0.167892   0.271653
+    1SOL     H6    6  -0.031455  -0.259989   0.164152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/509/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077057  -0.032939   0.046255
+    0SOL     H3    3   0.073239  -0.019487   0.058469
+    1SOL     O4    4   0.071054  -0.296794   0.092771
+    1SOL     H5    5   0.037511  -0.258338   0.011787
+    1SOL     H6    6   0.162604  -0.269082   0.096376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/510/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058817   0.057855   0.048535
+    0SOL     H3    3  -0.087653   0.024617   0.029550
+    1SOL     O4    4  -0.092262  -0.307221   0.031585
+    1SOL     H5    5  -0.150581  -0.234820   0.008796
+    1SOL     H6    6  -0.044139  -0.276059   0.108236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/511/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004211   0.015021   0.094440
+    0SOL     H3    3  -0.077419  -0.052853  -0.019370
+    1SOL     O4    4  -0.190049  -0.156384   0.094256
+    1SOL     H5    5  -0.109060  -0.206728   0.102536
+    1SOL     H6    6  -0.198957  -0.111277   0.178210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/512/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006746   0.087936  -0.037204
+    0SOL     H3    3  -0.083796  -0.013879   0.044136
+    1SOL     O4    4   0.092230   0.263357  -0.056526
+    1SOL     H5    5   0.173120   0.234057  -0.014567
+    1SOL     H6    6   0.118455   0.286602  -0.145600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/513/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094466   0.015418  -0.000931
+    0SOL     H3    3  -0.032739   0.046968  -0.076711
+    1SOL     O4    4  -0.025429  -0.250072   0.135675
+    1SOL     H5    5  -0.088144  -0.321581   0.146430
+    1SOL     H6    6  -0.060924  -0.197611   0.063910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/514/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038324   0.068230  -0.055121
+    0SOL     H3    3   0.007614   0.034061   0.089130
+    1SOL     O4    4   0.221548   0.036521  -0.140295
+    1SOL     H5    5   0.195549   0.124391  -0.167960
+    1SOL     H6    6   0.316921   0.040781  -0.133358
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/515/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085830   0.020190  -0.037254
+    0SOL     H3    3   0.014246   0.000314   0.094654
+    1SOL     O4    4   0.225475   0.059737  -0.195476
+    1SOL     H5    5   0.294100   0.123760  -0.214291
+    1SOL     H6    6   0.271245  -0.024270  -0.192297
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/516/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041328   0.051683   0.069161
+    0SOL     H3    3  -0.054463  -0.063375   0.046689
+    1SOL     O4    4   0.227038   0.204842  -0.002801
+    1SOL     H5    5   0.289345   0.217525   0.068748
+    1SOL     H6    6   0.251352   0.120574  -0.041143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/517/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046419   0.026466  -0.079417
+    0SOL     H3    3  -0.051545   0.076872   0.024415
+    1SOL     O4    4  -0.177887   0.189547   0.045714
+    1SOL     H5    5  -0.191718   0.250819  -0.026513
+    1SOL     H6    6  -0.192261   0.241810   0.124608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/518/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076377   0.054830  -0.017958
+    0SOL     H3    3  -0.035488  -0.088468   0.008741
+    1SOL     O4    4   0.056673  -0.197393   0.166623
+    1SOL     H5    5  -0.029669  -0.202987   0.207563
+    1SOL     H6    6   0.092107  -0.113706   0.196677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/519/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067594   0.024265   0.063282
+    0SOL     H3    3   0.078979   0.044247   0.031094
+    1SOL     O4    4   0.139617   0.064481  -0.237414
+    1SOL     H5    5   0.213924   0.007296  -0.218160
+    1SOL     H6    6   0.071935   0.037624  -0.175284
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/520/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062494   0.025827  -0.067748
+    0SOL     H3    3   0.024863  -0.089609   0.022682
+    1SOL     O4    4  -0.027890   0.133014   0.228166
+    1SOL     H5    5  -0.102924   0.192025   0.235240
+    1SOL     H6    6  -0.028783   0.103880   0.136992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/521/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075623   0.055689  -0.018498
+    0SOL     H3    3   0.070466   0.036711  -0.053377
+    1SOL     O4    4   0.237939   0.124199  -0.075604
+    1SOL     H5    5   0.326865   0.090688  -0.087076
+    1SOL     H6    6   0.249050   0.205184  -0.025801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/522/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088001  -0.025691  -0.027533
+    0SOL     H3    3  -0.011682   0.034611   0.088475
+    1SOL     O4    4  -0.264688   0.012370  -0.103735
+    1SOL     H5    5  -0.334241  -0.017947  -0.045378
+    1SOL     H6    6  -0.262500  -0.052429  -0.174153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/523/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001508   0.092632   0.024068
+    0SOL     H3    3  -0.092273  -0.024693  -0.006188
+    1SOL     O4    4  -0.113960   0.279339  -0.042655
+    1SOL     H5    5  -0.139962   0.362200  -0.002403
+    1SOL     H6    6  -0.181929   0.261914  -0.107761
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/524/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032332  -0.028257   0.085548
+    0SOL     H3    3  -0.066004   0.066372   0.020016
+    1SOL     O4    4   0.030472  -0.226700   0.232144
+    1SOL     H5    5   0.089634  -0.161196   0.269176
+    1SOL     H6    6   0.079383  -0.308823   0.237233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/525/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080644  -0.048384   0.017830
+    0SOL     H3    3   0.029673   0.086369  -0.028674
+    1SOL     O4    4  -0.032947  -0.175369  -0.219370
+    1SOL     H5    5  -0.047162  -0.107658  -0.153223
+    1SOL     H6    6   0.054605  -0.157428  -0.253649
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/526/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074807  -0.027365  -0.053079
+    0SOL     H3    3  -0.027215   0.083479  -0.038117
+    1SOL     O4    4   0.258238  -0.196921   0.160566
+    1SOL     H5    5   0.321847  -0.181974   0.090617
+    1SOL     H6    6   0.268158  -0.289532   0.182638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/527/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075805  -0.045149  -0.037115
+    0SOL     H3    3  -0.036520   0.055648   0.068789
+    1SOL     O4    4  -0.187571  -0.194108  -0.092472
+    1SOL     H5    5  -0.213888  -0.255742  -0.024127
+    1SOL     H6    6  -0.258287  -0.198042  -0.156862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/528/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012921  -0.087234   0.037224
+    0SOL     H3    3   0.088787   0.024358   0.026190
+    1SOL     O4    4   0.109011  -0.165724  -0.249573
+    1SOL     H5    5   0.175468  -0.152269  -0.317136
+    1SOL     H6    6   0.117092  -0.089368  -0.192418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/529/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051090   0.079384   0.015821
+    0SOL     H3    3  -0.063809  -0.063533  -0.032470
+    1SOL     O4    4   0.240301   0.167125   0.070620
+    1SOL     H5    5   0.278567   0.254597   0.063787
+    1SOL     H6    6   0.158719   0.180325   0.118914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/530/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084147  -0.039720   0.022450
+    0SOL     H3    3  -0.007967   0.022290  -0.092747
+    1SOL     O4    4   0.051286   0.058170  -0.254573
+    1SOL     H5    5   0.034839  -0.005236  -0.324369
+    1SOL     H6    6   0.011170   0.139250  -0.285863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/531/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057487  -0.069180  -0.032736
+    0SOL     H3    3  -0.058406   0.059476   0.047049
+    1SOL     O4    4  -0.207542   0.149906   0.090434
+    1SOL     H5    5  -0.279074   0.096169   0.056408
+    1SOL     H6    6  -0.229183   0.163005   0.182751
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086730   0.040467   0.001617
+    0SOL     H3    3   0.051792   0.056526  -0.057312
+    1SOL     O4    4  -0.005807   0.243473   0.190172
+    1SOL     H5    5   0.013476   0.154964   0.159242
+    1SOL     H6    6  -0.099711   0.254248   0.175060
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042059  -0.082179   0.025298
+    0SOL     H3    3  -0.061830   0.040972  -0.060503
+    1SOL     O4    4  -0.083814  -0.228642   0.070856
+    1SOL     H5    5  -0.146581  -0.296225   0.045261
+    1SOL     H6    6  -0.000149  -0.274722   0.077111
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066316  -0.067070  -0.016311
+    0SOL     H3    3  -0.045254   0.066322   0.052113
+    1SOL     O4    4   0.215319  -0.190554   0.004352
+    1SOL     H5    5   0.181511  -0.227409   0.085967
+    1SOL     H6    6   0.165844  -0.109500  -0.007687
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029496   0.008063  -0.090704
+    0SOL     H3    3   0.035502   0.077382   0.043749
+    1SOL     O4    4  -0.197952   0.232777   0.196150
+    1SOL     H5    5  -0.225745   0.147875   0.161778
+    1SOL     H6    6  -0.276040   0.287812   0.190181
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020652   0.092529  -0.013201
+    0SOL     H3    3  -0.009402  -0.009202   0.094812
+    1SOL     O4    4   0.189149  -0.178985  -0.104260
+    1SOL     H5    5   0.127513  -0.196838  -0.033234
+    1SOL     H6    6   0.209566  -0.085881  -0.095481
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027256   0.003417   0.091694
+    0SOL     H3    3  -0.077771  -0.030001  -0.047052
+    1SOL     O4    4  -0.158183   0.032633   0.190921
+    1SOL     H5    5  -0.123071   0.069545   0.271957
+    1SOL     H6    6  -0.241115  -0.007547   0.216809
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013808   0.088006  -0.035024
+    0SOL     H3    3   0.019450  -0.053638  -0.076857
+    1SOL     O4    4   0.116506  -0.271728   0.079868
+    1SOL     H5    5   0.113940  -0.337892   0.148991
+    1SOL     H6    6   0.025512  -0.263209   0.051411
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072496   0.057877  -0.023601
+    0SOL     H3    3   0.057217   0.054151   0.054371
+    1SOL     O4    4  -0.110541   0.242207   0.040942
+    1SOL     H5    5  -0.188178   0.297034   0.029593
+    1SOL     H6    6  -0.037900   0.304302   0.046400
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034131  -0.008020   0.089068
+    0SOL     H3    3  -0.031094   0.085408  -0.030016
+    1SOL     O4    4  -0.096765   0.251193  -0.037643
+    1SOL     H5    5  -0.133308   0.329252   0.003994
+    1SOL     H6    6  -0.023516   0.283909  -0.089860
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062604   0.018456   0.070018
+    0SOL     H3    3   0.077368  -0.033627   0.045231
+    1SOL     O4    4  -0.108860   0.084957   0.227251
+    1SOL     H5    5  -0.110539  -0.003041   0.264879
+    1SOL     H6    6  -0.197075   0.097845   0.192404
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044733   0.065329   0.053791
+    0SOL     H3    3  -0.035145   0.013264  -0.088041
+    1SOL     O4    4  -0.083152   0.243112   0.212948
+    1SOL     H5    5  -0.015334   0.285036   0.159982
+    1SOL     H6    6  -0.162879   0.251138   0.160589
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092920   0.007742  -0.021640
+    0SOL     H3    3  -0.020911  -0.091934  -0.016528
+    1SOL     O4    4  -0.178347   0.182056   0.029636
+    1SOL     H5    5  -0.122430   0.253570  -0.000717
+    1SOL     H6    6  -0.130401   0.102555   0.006331
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004401   0.075091  -0.059198
+    0SOL     H3    3   0.083755  -0.044811  -0.011810
+    1SOL     O4    4   0.265244  -0.113956   0.033185
+    1SOL     H5    5   0.335556  -0.134577  -0.028406
+    1SOL     H6    6   0.301427  -0.135744   0.119083
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012870   0.094827  -0.002146
+    0SOL     H3    3   0.069733  -0.013307   0.064207
+    1SOL     O4    4   0.154705   0.097718  -0.216309
+    1SOL     H5    5   0.149261   0.033367  -0.145658
+    1SOL     H6    6   0.230587   0.151592  -0.193906
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/546/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040786  -0.078133  -0.037336
+    0SOL     H3    3   0.088199  -0.028218   0.024229
+    1SOL     O4    4   0.258110  -0.145119  -0.003710
+    1SOL     H5    5   0.228657  -0.234766   0.012361
+    1SOL     H6    6   0.353575  -0.149954   0.001336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/547/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006747  -0.080804   0.050867
+    0SOL     H3    3   0.083533   0.044467   0.014398
+    1SOL     O4    4  -0.265544  -0.087134  -0.046183
+    1SOL     H5    5  -0.228600  -0.163315  -0.090836
+    1SOL     H6    6  -0.190879  -0.028844  -0.032411
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/548/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050890  -0.031527   0.074690
+    0SOL     H3    3   0.052351  -0.023866  -0.076499
+    1SOL     O4    4  -0.188447   0.058145   0.174390
+    1SOL     H5    5  -0.220428  -0.029827   0.154380
+    1SOL     H6    6  -0.130619   0.079866   0.101270
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/549/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004839  -0.053129   0.079475
+    0SOL     H3    3   0.092907   0.021158  -0.009104
+    1SOL     O4    4   0.148908  -0.129366  -0.228012
+    1SOL     H5    5   0.083775  -0.177405  -0.279122
+    1SOL     H6    6   0.115535  -0.039710  -0.224807
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034924  -0.088442   0.010984
+    0SOL     H3    3  -0.046488  -0.002769  -0.083627
+    1SOL     O4    4  -0.088202  -0.051243   0.260311
+    1SOL     H5    5  -0.160700   0.010206   0.248888
+    1SOL     H6    6  -0.079140  -0.093785   0.175045
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/551/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048466  -0.077298  -0.028955
+    0SOL     H3    3  -0.043980   0.031694  -0.078890
+    1SOL     O4    4   0.226247   0.119918   0.065082
+    1SOL     H5    5   0.264177   0.032569   0.074767
+    1SOL     H6    6   0.131916   0.104642   0.059558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/552/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085392  -0.011910  -0.041578
+    0SOL     H3    3   0.059549   0.019004  -0.072492
+    1SOL     O4    4   0.234570  -0.316304  -0.130965
+    1SOL     H5    5   0.265843  -0.277997  -0.212921
+    1SOL     H6    6   0.255742  -0.250950  -0.064310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/553/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056919   0.069199   0.033675
+    0SOL     H3    3   0.040699  -0.081275   0.030005
+    1SOL     O4    4  -0.001405  -0.250450   0.164984
+    1SOL     H5    5   0.070271  -0.260767   0.227581
+    1SOL     H6    6  -0.072724  -0.302962   0.201294
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/554/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030894   0.080334   0.041886
+    0SOL     H3    3   0.053978  -0.008369  -0.078605
+    1SOL     O4    4  -0.019604   0.234102   0.125151
+    1SOL     H5    5   0.009464   0.324775   0.134938
+    1SOL     H6    6  -0.086678   0.222998   0.192531
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/555/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062105   0.072750  -0.003582
+    0SOL     H3    3   0.050525  -0.072941   0.035904
+    1SOL     O4    4  -0.110869  -0.105462  -0.301866
+    1SOL     H5    5  -0.115333  -0.187398  -0.351149
+    1SOL     H6    6  -0.017202  -0.089458  -0.290347
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/556/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010619   0.074743   0.058847
+    0SOL     H3    3  -0.087974  -0.032843   0.018553
+    1SOL     O4    4   0.008857  -0.173369  -0.229391
+    1SOL     H5    5   0.022787  -0.105405  -0.163443
+    1SOL     H6    6   0.096576  -0.206530  -0.248578
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/557/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009891   0.094808  -0.008718
+    0SOL     H3    3   0.092195  -0.012544   0.022471
+    1SOL     O4    4  -0.085109  -0.067167  -0.244914
+    1SOL     H5    5  -0.023197  -0.126467  -0.287490
+    1SOL     H6    6  -0.051856  -0.057805  -0.155645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/558/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040839  -0.010262  -0.085960
+    0SOL     H3    3  -0.039812  -0.085171   0.017977
+    1SOL     O4    4   0.140543   0.003071  -0.259612
+    1SOL     H5    5   0.114828   0.092085  -0.283645
+    1SOL     H6    6   0.111330  -0.050990  -0.333004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/559/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.029549   0.077429  -0.047895
+    0SOL     H3    3   0.095026  -0.000516  -0.011497
+    1SOL     O4    4   0.023314  -0.052882  -0.296082
+    1SOL     H5    5   0.021437  -0.132640  -0.243191
+    1SOL     H6    6   0.016896   0.018297  -0.232406
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/560/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040093   0.010927  -0.086229
+    0SOL     H3    3  -0.093224  -0.011842  -0.018206
+    1SOL     O4    4   0.018193   0.227564   0.173023
+    1SOL     H5    5   0.008174   0.294729   0.105563
+    1SOL     H6    6  -0.016382   0.147858   0.132851
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/561/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020546  -0.081585   0.045652
+    0SOL     H3    3  -0.023028  -0.027331  -0.088798
+    1SOL     O4    4  -0.243159   0.137690   0.022620
+    1SOL     H5    5  -0.165276   0.094391   0.057575
+    1SOL     H6    6  -0.222542   0.153448  -0.069515
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020785  -0.091171   0.020449
+    0SOL     H3    3  -0.083205   0.046328   0.009644
+    1SOL     O4    4  -0.303772  -0.119143  -0.054164
+    1SOL     H5    5  -0.282207  -0.195675  -0.000871
+    1SOL     H6    6  -0.399251  -0.113457  -0.050468
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004416   0.031917   0.090134
+    0SOL     H3    3   0.007473  -0.095045   0.008536
+    1SOL     O4    4  -0.015048  -0.198288  -0.241604
+    1SOL     H5    5  -0.008584  -0.230258  -0.331595
+    1SOL     H6    6  -0.091577  -0.243144  -0.205639
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053146   0.001500   0.079596
+    0SOL     H3    3   0.059668   0.028434  -0.069236
+    1SOL     O4    4   0.301221   0.320636  -0.003700
+    1SOL     H5    5   0.269863   0.252155  -0.062771
+    1SOL     H6    6   0.240782   0.393602  -0.017318
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083410  -0.024623   0.039984
+    0SOL     H3    3  -0.018435   0.082336  -0.045202
+    1SOL     O4    4  -0.067853   0.164511  -0.208368
+    1SOL     H5    5  -0.149798   0.167344  -0.257756
+    1SOL     H6    6  -0.019603   0.090970  -0.246131
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090253   0.022671  -0.022423
+    0SOL     H3    3   0.051811   0.031805  -0.073935
+    1SOL     O4    4   0.104720  -0.240424   0.009504
+    1SOL     H5    5   0.052358  -0.263114   0.086352
+    1SOL     H6    6   0.078531  -0.150852  -0.011787
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066515  -0.068684  -0.004534
+    0SOL     H3    3   0.083096  -0.046332  -0.010526
+    1SOL     O4    4   0.183452   0.018480  -0.277409
+    1SOL     H5    5   0.252036   0.014127  -0.210778
+    1SOL     H6    6   0.230416   0.035127  -0.359138
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diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/input.sdf b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/input.sdf
new file mode 100644
index 000000000..6e873ce0c
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/input.sdf
@@ -0,0 +1,11 @@
+
+  -OEChem-04012114442D
+
+  3  2  0     0  0  0  0  0  0999 V2000
+    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
+    0.7500    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.3750   -0.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  1  3  1  0  0  0  0
+M  END
+$$$$
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/qdata.txt b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/qdata.txt
new file mode 100644
index 000000000..2f22aa16b
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/qdata.txt
@@ -0,0 +1,36000 @@
+JOB 0
+COORDS  3.5216500000e-01 -7.8911000000e-02 -1.1804680000e+00  1.3612400000e-01 -1.0054360000e+00 -1.2858660000e+00 -2.3084000000e-01  3.7425000000e-01 -1.7895500000e+00 -2.5011700000e-01  1.2282500000e-01  1.2734860000e+00 -1.6090600000e-01 -6.8114000000e-02  3.3977500000e-01 -1.1927470000e+00  8.8939000000e-02  1.4363760000e+00
+ENERGY -1.526531302629e+02
+FORCES -4.5584000000e-03  2.8331000000e-03  1.0695200000e-02 -1.7058000000e-03  7.4662000000e-03  5.6202000000e-03  2.3209000000e-03 -3.8125000000e-03  4.3021000000e-03  5.6422000000e-03  3.1000000000e-06 -2.3512700000e-02 -4.5328000000e-03 -6.2378000000e-03  6.9465000000e-03  2.8339000000e-03 -2.5210000000e-04 -4.0514000000e-03
+
+JOB 1
+COORDS -6.8329000000e-01  9.7053200000e-01  3.7448700000e-01 -1.4703220000e+00  7.3895000000e-01 -1.1864800000e-01 -1.0012950000e+00  1.1665760000e+00  1.2557770000e+00  8.1188800000e-01 -9.5895400000e-01 -4.3931200000e-01  4.4696000000e-01 -1.7720490000e+00 -9.0119000000e-02  2.2548500000e-01 -2.7467100000e-01 -1.1663300000e-01
+ENERGY -1.526559628751e+02
+FORCES  6.0634000000e-03 -9.1897000000e-03 -8.2310000000e-04  6.3519000000e-03 -1.7801000000e-03  3.8187000000e-03 -6.5600000000e-05 -1.2865000000e-03 -5.5128000000e-03 -1.1486000000e-02  1.5615500000e-02  9.5280000000e-03 -7.6370000000e-04  3.5825000000e-03 -2.6770000000e-04 -1.0010000000e-04 -6.9418000000e-03 -6.7431000000e-03
+
+JOB 2
+COORDS  2.2498900000e-01 -1.2400430000e+00  1.5191700000e-01  4.8805000000e-02 -1.9013490000e+00  8.2114400000e-01 -6.7522000000e-02 -1.6423530000e+00 -6.6589400000e-01 -2.5241300000e-01  1.3361600000e+00 -1.0805400000e-01 -3.7922000000e-02  4.0382100000e-01 -7.6917000000e-02  4.2237100000e-01  1.7190630000e+00 -6.6866400000e-01
+ENERGY -1.526585233898e+02
+FORCES -3.9958000000e-03  7.1673000000e-03  2.1209000000e-03  8.4110000000e-04  1.2867000000e-03 -5.1036000000e-03  1.4961000000e-03  3.3770000000e-03  4.6494000000e-03  4.7098000000e-03 -1.5757400000e-02  3.2242000000e-03 -1.4332000000e-03  7.0594000000e-03 -5.9418000000e-03 -1.6180000000e-03 -3.1331000000e-03  1.0510000000e-03
+
+JOB 3
+COORDS  5.4421800000e-01 -1.2553130000e+00  8.8419000000e-02  2.7167700000e-01 -3.3817000000e-01  6.0110000000e-02  1.2009290000e+00 -1.2891610000e+00  7.8398900000e-01 -5.7240000000e-01  1.1364590000e+00 -1.5238300000e-01 -9.0526700000e-01  1.4770440000e+00  6.7793800000e-01 -1.3963800000e-01  1.8851980000e+00 -5.6267300000e-01
+ENERGY -1.526591375278e+02
+FORCES -5.9708000000e-03  1.5395500000e-02 -1.2981000000e-03  5.0274000000e-03 -8.6922000000e-03  2.7170000000e-03 -2.6534000000e-03  2.2454000000e-03 -1.6577000000e-03  2.5214000000e-03 -3.5902000000e-03  1.2333000000e-03  3.3591000000e-03 -1.5926000000e-03 -4.4384000000e-03 -2.2836000000e-03 -3.7659000000e-03  3.4439000000e-03
+
+JOB 4
+COORDS  5.7161800000e-01 -9.6598200000e-01  8.1667700000e-01  9.9028000000e-02 -2.4906300000e-01  3.9369100000e-01  1.4502750000e+00 -9.3024200000e-01  4.3863600000e-01 -5.8690800000e-01  8.7480300000e-01 -7.2013500000e-01 -4.7637800000e-01  7.6625000000e-01 -1.6647140000e+00 -8.3205900000e-01  1.7936460000e+00 -6.1122200000e-01
+ENERGY -1.526592048686e+02
+FORCES -5.0294000000e-03  1.2398000000e-02 -9.9033000000e-03  2.7722000000e-03 -5.3012000000e-03  4.7156000000e-03 -2.3452000000e-03 -1.8940000000e-04  2.0330000000e-04  3.6095000000e-03 -4.8244000000e-03  2.5716000000e-03 -4.3080000000e-04  2.4659000000e-03  4.5500000000e-03  1.4237000000e-03 -4.5489000000e-03 -2.1372000000e-03
+
+JOB 5
+COORDS -1.2519220000e+00  2.9806100000e-01  1.2407700000e-01 -1.7774660000e+00 -3.1721900000e-01  6.3541300000e-01 -1.6386140000e+00  1.1542270000e+00  3.0760000000e-01  1.3412990000e+00 -2.6605100000e-01 -1.2939600000e-01  1.5929860000e+00 -9.9805000000e-01 -6.9248000000e-01  3.8505000000e-01 -3.0044700000e-01 -1.0414600000e-01
+ENERGY -1.526589644775e+02
+FORCES  6.1265000000e-03  3.0777000000e-03  1.4675000000e-03  3.5697000000e-03  2.9068000000e-03 -2.7914000000e-03 -6.3560000000e-04 -5.0797000000e-03 -2.5900000000e-05 -1.3435800000e-02  3.3336000000e-03 -4.0000000000e-06 -3.1784000000e-03  1.9018000000e-03  1.9073000000e-03  7.5536000000e-03 -6.1403000000e-03 -5.5360000000e-04
+
+JOB 6
+COORDS  9.4080600000e-01 -1.2910000000e-02  1.0149850000e+00  1.8624460000e+00  3.3795000000e-02  7.6075800000e-01  4.6356000000e-01 -2.9346000000e-02  1.8540800000e-01 -9.2695400000e-01 -4.2725000000e-02 -9.4398900000e-01 -1.7393910000e+00  2.0776300000e-01 -5.0417800000e-01 -7.7022600000e-01  6.5865000000e-01 -1.5762390000e+00
+ENERGY -1.526600696682e+02
+FORCES -8.6859000000e-03 -1.4874000000e-03 -1.0990200000e-02 -3.8729000000e-03  3.1860000000e-04 -1.5272000000e-03  9.0875000000e-03  2.1028000000e-03  6.5977000000e-03 -1.1891000000e-03  3.1893000000e-03  4.9992000000e-03  4.0382000000e-03 -6.4660000000e-04 -3.6094000000e-03  6.2220000000e-04 -3.4767000000e-03  4.5300000000e-03
+
+JOB 7
+COORDS -2.1701100000e-01  6.2226700000e-01 -1.1152950000e+00 -9.9029600000e-01  6.0993900000e-01 -1.6793080000e+00  2.0301000000e-01  1.4618330000e+00 -1.3022250000e+00  2.0956200000e-01 -6.8016800000e-01  1.2221690000e+00 -1.2498000000e-01 -2.1727700000e-01  4.5402400000e-01  1.0515240000e+00 -1.0370950000e+00  9.3944400000e-01
+ENERGY -1.526602654351e+02
+FORCES  6.5390000000e-04  2.1520000000e-04  3.8382000000e-03  4.2812000000e-03  1.0164000000e-03  2.8041000000e-03 -2.7503000000e-03 -4.3081000000e-03 -5.8580000000e-04 -2.4710000000e-04  6.0331000000e-03 -1.4410500000e-02 -3.1300000000e-04 -3.9877000000e-03  7.0912000000e-03 -1.6247000000e-03  1.0312000000e-03  1.2628000000e-03
+
+JOB 8
+COORDS  4.7374800000e-01  9.2287200000e-01 -7.8869200000e-01 -2.8776900000e-01  1.1715470000e+00 -1.3126050000e+00  1.2208080000e+00  1.2881660000e+00 -1.2627100000e+00 -4.6887700000e-01 -1.0247650000e+00  8.3546400000e-01 -8.7998900000e-01 -5.4689800000e-01  1.5557840000e+00 -1.1122800000e-01 -3.4208300000e-01  2.6778100000e-01
+ENERGY -1.526598941771e+02
+FORCES  3.4890000000e-04 -3.8972000000e-03  1.0450000000e-03  4.3281000000e-03 -1.4662000000e-03  3.2820000000e-03 -5.0488000000e-03 -2.1380000000e-04  7.9700000000e-04  6.2528000000e-03  1.0725100000e-02 -5.7958000000e-03  9.5160000000e-04 -5.7360000000e-04 -2.7674000000e-03 -6.8325000000e-03 -4.5743000000e-03  3.4393000000e-03
+
+JOB 9
+COORDS  3.4308700000e-01  5.5463100000e-01  1.2526750000e+00  9.2537900000e-01 -1.3034200000e-01  1.5812770000e+00 -1.9486000000e-02  1.9367200000e-01  4.4367500000e-01 -3.8574000000e-01 -4.7688000000e-01 -1.1650870000e+00 -1.9404000000e-02 -1.2992390000e+00 -1.4902870000e+00 -2.3381500000e-01  1.4985700000e-01 -1.8724420000e+00
+ENERGY -1.526600117336e+02
+FORCES -2.8625000000e-03 -8.2529000000e-03 -1.2696500000e-02 -1.5038000000e-03  1.3546000000e-03 -1.3246000000e-03  1.8647000000e-03  4.9256000000e-03  7.8666000000e-03  4.3317000000e-03  1.5440000000e-03  1.9145000000e-03 -1.3611000000e-03  4.5275000000e-03  8.6990000000e-04 -4.6910000000e-04 -4.0988000000e-03  3.3701000000e-03
+
+JOB 10
+COORDS  3.3204500000e-01 -4.2317000000e-01  1.2166950000e+00  3.0110100000e-01 -1.3790570000e+00  1.1772690000e+00 -3.8315400000e-01 -1.8401600000e-01  1.8062100000e+00 -2.3709400000e-01  4.7889500000e-01 -1.2830130000e+00 -2.9812900000e-01  1.7835800000e-01 -3.7626900000e-01 -1.1459090000e+00  5.4054200000e-01 -1.5770970000e+00
+ENERGY -1.526584725552e+02
+FORCES  2.9300000000e-05 -2.4911000000e-03 -3.4110000000e-04 -1.2332000000e-03  5.8313000000e-03 -8.1400000000e-05  2.4494000000e-03 -1.1138000000e-03 -6.3362000000e-03  2.4346000000e-03 -4.0313000000e-03  1.2473100000e-02 -6.3752000000e-03  2.9250000000e-03 -9.2560000000e-03  2.6950000000e-03 -1.1201000000e-03  3.5416000000e-03
+
+JOB 11
+COORDS -6.8773000000e-02  1.0316150000e+00 -8.5040200000e-01 -3.4376800000e-01  3.7294300000e-01 -1.4881810000e+00  4.7656000000e-01  1.6379710000e+00 -1.3515770000e+00  9.8788000000e-02 -1.0592040000e+00  9.5243200000e-01 -8.4734100000e-01 -1.1880600000e+00  8.8558400000e-01  2.9591600000e-01 -3.8601400000e-01  3.0113500000e-01
+ENERGY -1.526579653737e+02
+FORCES  1.0628000000e-03 -3.1080000000e-04 -1.9071000000e-03  2.7690000000e-03  1.6733000000e-03  6.5097000000e-03 -3.2900000000e-03 -3.5956000000e-03  1.8224000000e-03 -2.5932000000e-03  1.1703800000e-02 -5.9245000000e-03  2.8356000000e-03 -2.9420000000e-04 -1.0490000000e-03 -7.8420000000e-04 -9.1766000000e-03  5.4850000000e-04
+
+JOB 12
+COORDS -7.7771000000e-02 -1.0123790000e+00  8.4847600000e-01 -1.1018000000e-01 -1.7305010000e+00  2.1643000000e-01 -5.6383400000e-01 -1.3375240000e+00  1.6062720000e+00  5.9301000000e-02  1.1183600000e+00 -8.6282500000e-01 -1.6996000000e-02  2.9380300000e-01 -3.8270300000e-01  9.5157500000e-01  1.1126440000e+00 -1.2093010000e+00
+ENERGY -1.526583148829e+02
+FORCES -3.0850000000e-03  2.1059000000e-03  8.4300000000e-04  1.6940000000e-04  6.5605000000e-03  1.8725000000e-03  2.9791000000e-03 -5.6470000000e-04 -4.0400000000e-03  1.3278000000e-03 -8.4676000000e-03  9.5404000000e-03  1.3957000000e-03  1.6917000000e-03 -9.4365000000e-03 -2.7870000000e-03 -1.3258000000e-03  1.2206000000e-03
+
+JOB 13
+COORDS  4.1370100000e-01 -6.4393800000e-01  1.1704050000e+00  9.6125500000e-01 -1.4261480000e+00  1.1028440000e+00  4.3677700000e-01 -2.5846100000e-01  2.9455800000e-01 -4.1248300000e-01  6.0935600000e-01 -1.1183800000e+00 -6.8171000000e-02  1.5023630000e+00 -1.1331590000e+00 -1.3622200000e+00  7.1907700000e-01 -1.0715570000e+00
+ENERGY -1.526603787012e+02
+FORCES -2.8536000000e-03  3.8261000000e-03 -1.1283200000e-02 -1.9200000000e-03  2.9528000000e-03 -1.5027000000e-03  5.9005000000e-03 -3.2201000000e-03  8.3638000000e-03 -4.4363000000e-03  4.8430000000e-04  4.8577000000e-03 -1.3205000000e-03 -5.1234000000e-03  1.2750000000e-03  4.6300000000e-03  1.0803000000e-03 -1.7106000000e-03
+
+JOB 14
+COORDS  6.9619400000e-01 -3.0654600000e-01  1.0893390000e+00  5.3722800000e-01 -1.2497600000e+00  1.0531540000e+00  1.6311810000e+00 -2.2784100000e-01  1.2786470000e+00 -8.1030200000e-01  3.7264900000e-01 -1.1102160000e+00 -8.0885000000e-02  4.4364400000e-01 -1.7259610000e+00 -4.0691500000e-01  7.9802000000e-02 -2.9305500000e-01
+ENERGY -1.526584415635e+02
+FORCES  2.0592000000e-03  6.1920000000e-04 -3.1183000000e-03  5.5600000000e-05  6.4520000000e-03 -2.2848000000e-03 -4.4207000000e-03 -2.0022000000e-03 -5.1720000000e-04  1.1093300000e-02 -1.0387000000e-03  9.8031000000e-03 -1.9937000000e-03 -3.0760000000e-04  1.1354000000e-03 -6.7938000000e-03 -3.7227000000e-03 -5.0181000000e-03
+
+JOB 15
+COORDS  5.0391100000e-01  1.2832560000e+00  4.0288500000e-01 -1.1304800000e-01  6.0653800000e-01  1.2423200000e-01  1.3642950000e+00  9.3396100000e-01  1.7058400000e-01 -5.6577300000e-01 -1.1650000000e+00 -3.7261600000e-01 -1.2087100000e-01 -1.5516570000e+00  3.8156500000e-01 -2.3676900000e-01 -1.6581690000e+00 -1.1241300000e+00
+ENERGY -1.526587966808e+02
+FORCES -3.4365000000e-03 -1.1846400000e-02 -6.9924000000e-03  2.6869000000e-03  5.9715000000e-03  5.7641000000e-03 -1.6264000000e-03  7.3390000000e-04  1.4339000000e-03  4.1840000000e-03 -3.8260000000e-04 -1.3840000000e-04 -1.2045000000e-03  3.7256000000e-03 -4.6831000000e-03 -6.0350000000e-04  1.7981000000e-03  4.6157000000e-03
+
+JOB 16
+COORDS  7.0417300000e-01 -8.2636400000e-01 -9.1075400000e-01  2.6263100000e-01 -6.7554000000e-01 -1.7465320000e+00  2.4791400000e-01 -2.5614400000e-01 -2.9195800000e-01 -6.4619800000e-01  7.1902200000e-01  9.0267300000e-01 -6.7463200000e-01  1.1165020000e+00  1.7729790000e+00 -7.4956900000e-01  1.4548640000e+00  2.9928000000e-01
+ENERGY -1.526579127815e+02
+FORCES -6.9011000000e-03  5.1057000000e-03  8.3415000000e-03  6.6390000000e-04  1.3642000000e-03  3.4822000000e-03  2.1339000000e-03 -5.0800000000e-05 -9.4832000000e-03  3.1900000000e-03 -1.1380000000e-04  9.4160000000e-04 -1.1774000000e-03 -1.6680000000e-04 -4.9060000000e-03  2.0907000000e-03 -6.1385000000e-03  1.6239000000e-03
+
+JOB 17
+COORDS  3.2647200000e-01 -6.5122000000e-01  1.1413760000e+00 -3.1401100000e-01 -2.3969800000e-01  1.7216010000e+00  1.1741570000e+00 -3.4627500000e-01  1.4649060000e+00 -3.3566400000e-01  6.8271200000e-01 -1.1797810000e+00 -5.2813800000e-01  2.6565600000e-01 -2.0195730000e+00 -2.1264500000e-01 -4.6651000000e-02 -5.7222300000e-01
+ENERGY -1.526611479680e+02
+FORCES  1.5699000000e-03  6.2838000000e-03  6.4230000000e-04  3.4031000000e-03 -2.0669000000e-03 -3.2783000000e-03 -4.3691000000e-03 -1.6949000000e-03 -2.0120000000e-04  2.9229000000e-03 -7.0921000000e-03  7.7285000000e-03  1.1189000000e-03 -2.0200000000e-04  3.9542000000e-03 -4.6457000000e-03  4.7721000000e-03 -8.8455000000e-03
+
+JOB 18
+COORDS  4.8034700000e-01  6.3773600000e-01  1.1604970000e+00 -5.4327000000e-02  3.5829100000e-01  4.1735100000e-01  5.3281400000e-01  1.5895700000e+00  1.0739420000e+00 -4.2206700000e-01 -6.1587700000e-01 -1.1178680000e+00 -1.3671970000e+00 -7.5383900000e-01 -1.0552070000e+00 -5.2141000000e-02 -1.4982290000e+00 -1.1468910000e+00
+ENERGY -1.526599151358e+02
+FORCES -3.4021000000e-03 -3.6991000000e-03 -1.2004800000e-02 -5.1030000000e-04  5.2207000000e-03  9.4183000000e-03 -1.0136000000e-03 -3.1946000000e-03 -8.6330000000e-04  2.6315000000e-03 -4.2783000000e-03  2.2212000000e-03  5.6604000000e-03  1.9328000000e-03  1.9520000000e-03 -3.3658000000e-03  4.0185000000e-03 -7.2340000000e-04
+
+JOB 19
+COORDS  5.1815000000e-01 -1.1956100000e+00 -5.7229600000e-01  9.4466300000e-01 -8.8332700000e-01 -1.3702930000e+00  5.9933000000e-02 -4.2846900000e-01 -2.2913100000e-01 -5.1844700000e-01  1.0627710000e+00  5.7649000000e-01 -6.5640100000e-01  1.4090300000e+00  1.4581390000e+00 -3.3662100000e-01  1.8351000000e+00  4.1065000000e-02
+ENERGY -1.526592193715e+02
+FORCES -4.2781000000e-03  1.1310300000e-02  4.9888000000e-03 -1.6823000000e-03  5.4200000000e-04  2.5749000000e-03  3.0310000000e-03 -5.8819000000e-03 -6.3727000000e-03  2.8816000000e-03 -2.3319000000e-03  1.1143000000e-03  4.7940000000e-04  6.3440000000e-04 -4.9059000000e-03 -4.3160000000e-04 -4.2729000000e-03  2.6007000000e-03
+
+JOB 20
+COORDS -4.8368000000e-02  1.3530500000e+00 -3.7879400000e-01  2.4319200000e-01  4.7496700000e-01 -1.3344800000e-01  7.3113800000e-01  1.9002510000e+00 -2.8301500000e-01  3.0129000000e-02 -1.2858230000e+00  3.3033100000e-01 -6.4386600000e-01 -1.8133840000e+00 -9.8204000000e-02  2.1800000000e-03 -1.5594280000e+00  1.2471680000e+00
+ENERGY -1.526608443932e+02
+FORCES  1.8850000000e-03 -1.1274500000e-02  3.0308000000e-03  1.3462000000e-03  1.0105000000e-02 -2.6276000000e-03 -1.8305000000e-03 -3.3754000000e-03  7.8840000000e-04 -4.5724000000e-03  2.7285000000e-03 -2.1800000000e-05  3.3257000000e-03  1.2667000000e-03  3.3950000000e-03 -1.5400000000e-04  5.4970000000e-04 -4.5649000000e-03
+
+JOB 21
+COORDS -1.0414900000e-01  8.3721100000e-01 -1.0593930000e+00 -7.7283500000e-01  3.2006000000e-01 -1.5084430000e+00 -5.0977100000e-01  1.6947150000e+00 -9.3136800000e-01  1.1358200000e-01 -8.6391600000e-01  1.1208900000e+00  1.6365900000e-01 -3.1953200000e-01  3.3516100000e-01  9.6138500000e-01 -1.3065000000e+00  1.1606430000e+00
+ENERGY -1.526613473896e+02
+FORCES -4.0997000000e-03  1.4004000000e-03  2.1387000000e-03  3.9924000000e-03  2.2456000000e-03  4.0476000000e-03  1.2719000000e-03 -4.4353000000e-03 -1.9193000000e-03  2.0581000000e-03  8.1099000000e-03 -9.2233000000e-03 -7.8450000000e-04 -9.2702000000e-03  6.2601000000e-03 -2.4382000000e-03  1.9497000000e-03 -1.3038000000e-03
+
+JOB 22
+COORDS  8.9377400000e-01 -4.7596200000e-01 -9.9875000000e-01  3.0500600000e-01 -2.5179100000e-01 -2.7810400000e-01  1.3309630000e+00 -1.2774060000e+00 -7.1102600000e-01 -8.9873800000e-01  5.4718900000e-01  8.8494100000e-01 -4.0180000000e-01  8.0987500000e-01  1.6597190000e+00 -1.1548740000e+00 -3.5838400000e-01  1.0597650000e+00
+ENERGY -1.526571634711e+02
+FORCES -6.6875000000e-03  4.7792000000e-03  8.1388000000e-03  5.2371000000e-03 -9.2925000000e-03 -3.8798000000e-03 -3.0738000000e-03  3.1136000000e-03  1.0003000000e-03  2.7360000000e-04 -3.5100000000e-05  3.5894000000e-03 -2.1884000000e-03 -2.7809000000e-03 -4.7430000000e-03  6.4391000000e-03  4.2156000000e-03 -4.1058000000e-03
+
+JOB 23
+COORDS  5.4827400000e-01 -9.3832600000e-01 -7.9850100000e-01  1.3985020000e+00 -9.4965300000e-01 -3.5893800000e-01  2.8293000000e-01 -1.8574200000e+00 -8.3154000000e-01 -6.4080400000e-01  9.8675800000e-01  8.0475900000e-01 -1.2081500000e-01  1.7805390000e+00  6.7924400000e-01 -1.0009500000e-01  2.8564200000e-01  4.4102400000e-01
+ENERGY -1.526577843032e+02
+FORCES -1.2729000000e-03 -3.0766000000e-03  6.0830000000e-04 -7.1414000000e-03  2.8113000000e-03  2.4040000000e-04  2.4555000000e-03  4.6502000000e-03  1.8270000000e-04  5.1189000000e-03 -7.1672000000e-03 -9.4109000000e-03 -5.1010000000e-04 -3.3766000000e-03  1.7840000000e-04  1.3501000000e-03  6.1590000000e-03  8.2010000000e-03
+
+JOB 24
+COORDS -3.9238700000e-01  1.3659040000e+00  1.5887000000e-02 -9.9854900000e-01  1.5274280000e+00 -7.0710000000e-01 -2.1031300000e-01  4.2724000000e-01 -2.8744000000e-02  3.6913300000e-01 -1.2871490000e+00 -5.4180000000e-03  2.1150100000e-01 -1.9055300000e+00  7.0801700000e-01  1.3157330000e+00 -1.3171590000e+00 -1.4426700000e-01
+ENERGY -1.526618174297e+02
+FORCES  1.5008000000e-03 -1.2718000000e-02 -1.4313000000e-03  1.9180000000e-03 -1.5085000000e-03  1.9115000000e-03 -1.9215000000e-03  1.0430000000e-02 -9.1970000000e-04  1.5856000000e-03  1.7206000000e-03  2.9156000000e-03  2.0156000000e-03  2.4251000000e-03 -3.8141000000e-03 -5.0985000000e-03 -3.4940000000e-04  1.3380000000e-03
+
+JOB 25
+COORDS  7.6782800000e-01 -7.0778800000e-01  8.6150400000e-01  5.2458300000e-01 -9.7883700000e-01  1.7467140000e+00  1.4567490000e+00 -5.5961000000e-02  9.9089500000e-01 -7.6259900000e-01  7.1858200000e-01 -9.7303800000e-01 -3.8892300000e-01  3.5024000000e-02 -4.1684800000e-01 -1.6479790000e+00  8.4743800000e-01 -6.3284700000e-01
+ENERGY -1.526608093074e+02
+FORCES  4.0470000000e-04  4.5056000000e-03  1.6026000000e-03  1.3985000000e-03  2.0740000000e-03 -3.9230000000e-03 -3.5704000000e-03 -4.0055000000e-03  4.0240000000e-04  3.7079000000e-03 -7.2767000000e-03  9.1194000000e-03 -4.8011000000e-03  5.5216000000e-03 -7.0176000000e-03  2.8605000000e-03 -8.1890000000e-04 -1.8390000000e-04
+
+JOB 26
+COORDS -6.8472500000e-01 -1.8799200000e-01 -1.1550300000e+00 -1.4416090000e+00 -7.4629600000e-01 -1.3329440000e+00 -1.0169340000e+00  7.0452700000e-01 -1.2513540000e+00  7.3595500000e-01  1.4635900000e-01  1.2303530000e+00  2.6966300000e-01 -1.0835600000e-01  4.3415900000e-01  1.3829240000e+00  7.8701400000e-01  9.3501500000e-01
+ENERGY -1.526608960045e+02
+FORCES -3.2357000000e-03  1.1982000000e-03  1.6058000000e-03  3.2101000000e-03  3.7567000000e-03  5.1080000000e-04  2.1062000000e-03 -4.8558000000e-03  8.5660000000e-04 -4.0325000000e-03 -1.8856000000e-03 -1.1908200000e-02  4.6587000000e-03  2.9755000000e-03  8.5609000000e-03 -2.7068000000e-03 -1.1890000000e-03  3.7410000000e-04
+
+JOB 27
+COORDS -6.1247300000e-01  5.3213700000e-01 -1.1093820000e+00 -4.3468300000e-01 -2.4915400000e-01 -1.6330300000e+00 -1.0524400000e-01  1.2250300000e+00 -1.5322890000e+00  5.9869800000e-01 -4.9809300000e-01  1.2188380000e+00  7.1748800000e-01 -1.4062860000e+00  9.4080100000e-01  8.0629000000e-02 -9.8943000000e-02  5.1990000000e-01
+ENERGY -1.526596894787e+02
+FORCES  4.3704000000e-03  2.6470000000e-04 -2.7352000000e-03  1.7230000000e-04  3.3663000000e-03  4.7109000000e-03 -2.6881000000e-03 -4.1882000000e-03  1.5255000000e-03 -6.2231000000e-03  3.3149000000e-03 -1.0465900000e-02 -6.1290000000e-04  2.9541000000e-03 -5.4520000000e-04  4.9814000000e-03 -5.7118000000e-03  7.5099000000e-03
+
+JOB 28
+COORDS -3.0740000000e-03  7.5303900000e-01  1.2276010000e+00  9.1764600000e-01  8.8810900000e-01  1.4517930000e+00  1.9416000000e-02  2.4432800000e-01  4.1708300000e-01 -6.7380000000e-02 -7.3646300000e-01 -1.1325830000e+00 -4.4168200000e-01 -1.9500800000e-01 -1.8275330000e+00  6.6212500000e-01 -1.1935440000e+00 -1.5510710000e+00
+ENERGY -1.526609574554e+02
+FORCES  2.4017000000e-03 -7.3692000000e-03 -1.0024200000e-02 -2.3464000000e-03 -8.7750000000e-04 -1.2993000000e-03 -5.8740000000e-04  7.0226000000e-03  7.7658000000e-03  1.3884000000e-03  1.2243000000e-03 -1.3684000000e-03  2.8810000000e-03 -2.8867000000e-03  3.7026000000e-03 -3.7373000000e-03  2.8864000000e-03  1.2234000000e-03
+
+JOB 29
+COORDS  1.3352030000e+00  3.3432000000e-02 -5.1698100000e-01  4.8575800000e-01  2.2278300000e-01 -1.1845600000e-01  1.8584540000e+00  8.1750400000e-01 -3.5063700000e-01 -1.3025810000e+00 -2.5566000000e-02  4.6490600000e-01 -8.2743700000e-01 -5.9557800000e-01  1.0695190000e+00 -2.0341890000e+00 -5.5998700000e-01  1.5607700000e-01
+ENERGY -1.526590652006e+02
+FORCES -8.7579000000e-03  3.5647000000e-03  9.9850000000e-04  9.4379000000e-03 -2.9605000000e-03  3.7862000000e-03 -2.9127000000e-03 -2.4022000000e-03  1.5360000000e-04 -1.0841000000e-03 -5.4001000000e-03 -2.2739000000e-03  4.5790000000e-04  5.2482000000e-03 -5.7834000000e-03  2.8589000000e-03  1.9499000000e-03  3.1190000000e-03
+
+JOB 30
+COORDS -2.7108000000e-02 -1.3953950000e+00  4.4166600000e-01  2.3163700000e-01 -4.8172500000e-01  3.2129200000e-01 -5.6085200000e-01 -1.5969240000e+00 -3.2692700000e-01 -1.0779000000e-02  1.3140750000e+00 -3.8610900000e-01  6.2528700000e-01  1.3841840000e+00 -1.0979630000e+00  3.0728500000e-01  1.9226720000e+00  2.8073200000e-01
+ENERGY -1.526595968421e+02
+FORCES -3.0699000000e-03  1.2336000000e-02 -6.0208000000e-03  3.4904000000e-03 -7.8182000000e-03  3.6548000000e-03  1.9208000000e-03 -8.1810000000e-04  1.7793000000e-03  1.5945000000e-03  2.6576000000e-03 -5.2290000000e-04 -3.1862000000e-03 -1.7372000000e-03  4.5657000000e-03 -7.4970000000e-04 -4.6201000000e-03 -3.4561000000e-03
+
+JOB 31
+COORDS  1.2819400000e-01  1.2823720000e+00 -4.4400300000e-01 -8.2477200000e-01  1.2107470000e+00 -3.8962300000e-01  2.9923100000e-01  2.2240730000e+00 -4.3065200000e-01 -9.1121000000e-02 -1.3941900000e+00  3.9033000000e-01 -1.6290700000e-01 -1.4272350000e+00  1.3442620000e+00  1.5646200000e-01 -4.8947100000e-01  1.9949300000e-01
+ENERGY -1.526598214537e+02
+FORCES -1.3253000000e-03  1.9061000000e-03  9.1700000000e-05  6.5518000000e-03 -7.0330000000e-04  1.5776000000e-03 -2.7160000000e-03 -3.8456000000e-03 -4.3170000000e-04  4.3019000000e-03  8.3998000000e-03  5.1260000000e-04 -2.2250000000e-04  8.4110000000e-04 -3.1640000000e-03 -6.5899000000e-03 -6.5980000000e-03  1.4138000000e-03
+
+JOB 32
+COORDS -1.2332030000e+00 -7.6446000000e-01 -4.5067000000e-02 -1.3077030000e+00 -1.0244660000e+00 -9.6326000000e-01 -4.6893700000e-01 -1.8870200000e-01 -1.9932000000e-02  1.1325880000e+00  7.5520200000e-01  1.3092300000e-01  1.3381220000e+00  1.0529470000e+00 -7.5526800000e-01  1.9355240000e+00  3.3128000000e-01  4.3393400000e-01
+ENERGY -1.526603617862e+02
+FORCES  1.0359200000e-02  6.0849000000e-03 -5.8140000000e-04  1.2828000000e-03  1.5383000000e-03  2.4439000000e-03 -9.2709000000e-03 -4.9718000000e-03 -2.9798000000e-03  3.0111000000e-03 -2.4330000000e-03 -5.1570000000e-04 -2.0486000000e-03 -3.1681000000e-03  4.2165000000e-03 -3.3336000000e-03  2.9497000000e-03 -2.5834000000e-03
+
+JOB 33
+COORDS  9.7902200000e-01 -8.4864200000e-01 -6.7710300000e-01  3.2359000000e-01 -5.6702300000e-01 -3.8878000000e-02  4.6894700000e-01 -1.2190920000e+00 -1.3973960000e+00 -9.2232400000e-01  7.9664400000e-01  7.1350700000e-01 -3.2615200000e-01  1.4685010000e+00  1.0442910000e+00 -1.2197900000e+00  1.1345780000e+00 -1.3120900000e-01
+ENERGY -1.526602136396e+02
+FORCES -9.1466000000e-03  3.1406000000e-03  4.9540000000e-03  6.9747000000e-03 -4.5502000000e-03 -5.8163000000e-03  9.6420000000e-04  2.3180000000e-03  2.2125000000e-03  2.5123000000e-03  5.7352000000e-03 -3.3229000000e-03 -3.0297000000e-03 -3.7606000000e-03 -1.8893000000e-03  1.7251000000e-03 -2.8831000000e-03  3.8620000000e-03
+
+JOB 34
+COORDS  7.2281400000e-01  6.5688000000e-01  9.7454800000e-01  1.2330230000e+00  1.3619230000e+00  5.7600800000e-01  1.9675400000e-01  1.0912780000e+00  1.6459580000e+00 -7.9052000000e-01 -7.2180400000e-01 -9.9257500000e-01 -1.8844500000e-01 -1.0650800000e+00 -1.6528020000e+00 -2.2178100000e-01 -4.0277900000e-01 -2.9186800000e-01
+ENERGY -1.526614304811e+02
+FORCES -2.1083000000e-03  4.3417000000e-03 -5.9010000000e-04 -2.4620000000e-03 -3.3722000000e-03  2.2835000000e-03  3.2317000000e-03 -1.4029000000e-03 -3.4435000000e-03  7.8488000000e-03  3.9267000000e-03  7.0602000000e-03 -1.0490000000e-03  1.9155000000e-03  2.2805000000e-03 -5.4613000000e-03 -5.4087000000e-03 -7.5906000000e-03
+
+JOB 35
+COORDS -8.9092100000e-01 -1.0158630000e+00 -5.0669900000e-01 -8.0493500000e-01 -1.9360960000e+00 -2.5768100000e-01 -1.5373500000e-01 -5.8129600000e-01 -7.7816000000e-02  8.7009100000e-01  9.9719800000e-01  4.4169300000e-01  3.6919000000e-01  1.0468580000e+00  1.2558570000e+00  8.6977400000e-01  1.8931150000e+00  1.0470100000e-01
+ENERGY -1.526596344976e+02
+FORCES  7.4385000000e-03  4.4158000000e-03  1.5429000000e-03  8.1420000000e-04  4.0362000000e-03  2.5670000000e-04 -7.1670000000e-03 -7.5146000000e-03  1.8629000000e-03 -3.5219000000e-03  4.8931000000e-03 -1.7177000000e-03  1.9726000000e-03 -2.6050000000e-03 -5.2014000000e-03  4.6350000000e-04 -3.2255000000e-03  3.2566000000e-03
+
+JOB 36
+COORDS  2.6378000000e-01  5.0404900000e-01 -1.3485430000e+00  9.3811800000e-01  1.1787620000e+00 -1.2694120000e+00  6.9309000000e-02  2.5207400000e-01 -4.4581300000e-01 -2.6594000000e-01 -4.9655700000e-01  1.2309000000e+00  2.1690700000e-01 -1.1087920000e+00  1.7861100000e+00 -1.1300690000e+00 -4.3383900000e-01  1.6378160000e+00
+ENERGY -1.526614317893e+02
+FORCES -1.9110000000e-04 -2.3921000000e-03  1.0636600000e-02 -1.8006000000e-03 -2.2440000000e-03  3.5540000000e-04  7.4480000000e-04  4.5447000000e-03 -8.5393000000e-03  1.1650000000e-04 -1.9443000000e-03 -2.2530000000e-04 -3.5069000000e-03  2.9635000000e-03 -1.0679000000e-03  4.6372000000e-03 -9.2790000000e-04 -1.1595000000e-03
+
+JOB 37
+COORDS -6.5725300000e-01 -1.2213090000e+00  3.2091200000e-01  5.5050000000e-03 -1.3242220000e+00  1.0038420000e+00 -2.9727500000e-01 -1.6856270000e+00 -4.3477100000e-01  6.2547700000e-01  1.2826870000e+00 -3.6822300000e-01  8.1396800000e-01  1.4418950000e+00  5.5663100000e-01  3.5622000000e-02  5.2883000000e-01 -3.6661600000e-01
+ENERGY -1.526587945326e+02
+FORCES  5.0691000000e-03 -3.7688000000e-03  1.0535000000e-03 -3.1564000000e-03  2.2066000000e-03 -3.7271000000e-03 -1.5440000000e-03  4.9971000000e-03  3.5921000000e-03 -7.1116000000e-03 -7.9727000000e-03  5.8665000000e-03  4.0970000000e-04 -9.8910000000e-04 -2.5607000000e-03  6.3331000000e-03  5.5269000000e-03 -4.2244000000e-03
+
+JOB 38
+COORDS  1.4494000000e-01  2.0315000000e-02 -1.3613040000e+00 -5.3562200000e-01 -6.1144100000e-01 -1.5935790000e+00  5.6672100000e-01  2.3542600000e-01 -2.1932060000e+00 -1.4925500000e-01  5.9470000000e-02  1.4452580000e+00 -4.3718000000e-01 -8.1952600000e-01  1.6916250000e+00  4.9189000000e-01 -8.4298000000e-02  7.4920000000e-01
+ENERGY -1.526571371290e+02
+FORCES -3.8745000000e-03 -8.3640000000e-04 -1.9852000000e-03  4.0963000000e-03  2.0676000000e-03  4.3200000000e-04 -2.3975000000e-03 -9.9010000000e-04  4.0612000000e-03  2.5810000000e-03 -2.1578000000e-03 -8.4634000000e-03  3.2130000000e-04  2.8745000000e-03 -1.8960000000e-03 -7.2650000000e-04 -9.5780000000e-04  7.8514000000e-03
+
+JOB 39
+COORDS -3.5980000000e-03  5.9757100000e-01  1.3331670000e+00  2.0804500000e-01  3.1847600000e-01  4.4235500000e-01  7.6779300000e-01  3.6134600000e-01  1.8483210000e+00 -1.9705000000e-02 -5.0959600000e-01 -1.3186780000e+00 -9.6923600000e-01 -5.9222200000e-01 -1.2303850000e+00  3.0318700000e-01 -1.4102590000e+00 -1.2907890000e+00
+ENERGY -1.526611854746e+02
+FORCES  3.7193000000e-03 -3.5018000000e-03 -8.9760000000e-03 -1.7526000000e-03  3.0809000000e-03  1.0486900000e-02 -2.2135000000e-03 -1.2720000000e-04 -2.5122000000e-03 -4.1538000000e-03 -4.6518000000e-03  5.1400000000e-05  5.8976000000e-03  4.9060000000e-04  2.5690000000e-04 -1.4970000000e-03  4.7093000000e-03  6.9300000000e-04
+
+JOB 40
+COORDS  1.0373610000e+00 -9.0197300000e-01 -3.0647500000e-01  1.7952730000e+00 -8.4287800000e-01  2.7516700000e-01  5.1000200000e-01 -1.6128150000e+00  5.7981000000e-02 -1.0525480000e+00  9.9766900000e-01  2.1593400000e-01 -3.9319900000e-01  3.0655400000e-01  1.5387800000e-01 -1.6657340000e+00  6.8530900000e-01  8.8126600000e-01
+ENERGY -1.526587116685e+02
+FORCES  3.5772000000e-03 -2.7879000000e-03  2.0748000000e-03 -4.6989000000e-03 -7.6260000000e-04 -2.6586000000e-03  5.7650000000e-04  7.3594000000e-03 -3.9510000000e-04  7.1439000000e-03 -6.5559000000e-03 -1.1854000000e-03 -9.8574000000e-03  3.3988000000e-03  4.4957000000e-03  3.2588000000e-03 -6.5180000000e-04 -2.3313000000e-03
+
+JOB 41
+COORDS -6.9583000000e-02 -9.6027100000e-01  1.1368390000e+00  9.7177000000e-02 -5.8231500000e-01  2.7337400000e-01 -7.7918900000e-01 -4.2919700000e-01  1.4982950000e+00  1.0896300000e-01  8.4669900000e-01 -1.1223880000e+00  7.5958500000e-01  1.4348170000e+00 -7.3893000000e-01 -6.7900300000e-01  1.3834200000e+00 -1.2076720000e+00
+ENERGY -1.526599901654e+02
+FORCES -2.3846000000e-03  7.7483000000e-03 -8.8521000000e-03  1.6683000000e-03 -5.2153000000e-03  7.6597000000e-03  1.8983000000e-03 -1.3547000000e-03 -3.3790000000e-04 -1.1570000000e-03  4.6748000000e-03  1.4243000000e-03 -4.1116000000e-03 -3.6248000000e-03 -1.1931000000e-03  4.0866000000e-03 -2.2283000000e-03  1.2991000000e-03
+
+JOB 42
+COORDS -1.4307500000e+00 -3.6307200000e-01 -2.9725000000e-02 -1.6813750000e+00 -4.0126200000e-01 -9.5274200000e-01 -5.1875600000e-01 -7.2584000000e-02 -4.0501000000e-02  1.3260470000e+00  3.7002300000e-01  8.8370000000e-02  1.9702380000e+00  4.0092100000e-01 -6.1894500000e-01  1.7865410000e+00 -5.1211000000e-02  8.1413800000e-01
+ENERGY -1.526613964658e+02
+FORCES  1.0199900000e-02  3.2553000000e-03 -2.4440000000e-03  1.3621000000e-03  2.3310000000e-04  2.4088000000e-03 -9.8982000000e-03 -2.9112000000e-03  3.8070000000e-04  2.2569000000e-03 -2.3146000000e-03  1.0950000000e-04 -2.4284000000e-03 -4.7830000000e-04  3.8432000000e-03 -1.4923000000e-03  2.2157000000e-03 -4.2981000000e-03
+
+JOB 43
+COORDS -2.0417000000e-01 -7.2720300000e-01  1.2854200000e+00 -1.7367100000e-01 -3.3547500000e-01  4.1257900000e-01  2.9982100000e-01 -1.2741200000e-01  1.8353970000e+00  2.1454800000e-01  6.6658200000e-01 -1.2071760000e+00  2.2267600000e-01  6.8468000000e-02 -1.9544540000e+00 -4.6203200000e-01  1.3089480000e+00 -1.4212750000e+00
+ENERGY -1.526616159004e+02
+FORCES  4.0012000000e-03  7.6511000000e-03 -8.3278000000e-03 -2.9520000000e-03 -6.0013000000e-03  7.7830000000e-03 -1.8090000000e-03 -1.6676000000e-03 -1.0277000000e-03 -1.6950000000e-03  6.7240000000e-04 -3.8469000000e-03 -9.5460000000e-04  3.1426000000e-03  4.3239000000e-03  3.4095000000e-03 -3.7972000000e-03  1.0955000000e-03
+
+JOB 44
+COORDS  5.3132900000e-01  1.0958610000e+00 -8.7337600000e-01  8.7396900000e-01  1.4422180000e+00 -4.9443000000e-02 -7.5056000000e-02  4.0396600000e-01 -6.0915800000e-01 -4.6341700000e-01 -1.0462510000e+00  7.8001700000e-01 -1.2769710000e+00 -1.3836020000e+00  4.0510800000e-01 -5.4039900000e-01 -1.2218650000e+00  1.7178150000e+00
+ENERGY -1.526578059967e+02
+FORCES -1.8856000000e-03 -7.2570000000e-03  1.0211600000e-02  4.4000000000e-05  9.7510000000e-04 -2.8643000000e-03 -1.4887000000e-03  3.2399000000e-03 -6.6714000000e-03 -1.2246000000e-03 -8.5410000000e-04  2.9621000000e-03  4.5808000000e-03  3.6299000000e-03  8.2660000000e-04 -2.5900000000e-05  2.6630000000e-04 -4.4647000000e-03
+
+JOB 45
+COORDS  1.0701290000e+00 -5.8644800000e-01 -6.8487000000e-01  9.0233200000e-01 -1.5273810000e+00 -7.3702700000e-01  1.9368180000e+00 -5.1907800000e-01 -2.8419200000e-01 -1.1055980000e+00  6.7966300000e-01  7.2440800000e-01 -1.8680050000e+00  5.3266500000e-01  1.6462400000e-01 -4.0481500000e-01  1.7364800000e-01  3.1320900000e-01
+ENERGY -1.526611800640e+02
+FORCES  4.0380000000e-03 -2.1162000000e-03  1.0593000000e-03 -5.4100000000e-05  5.4140000000e-03  1.0856000000e-03 -4.5254000000e-03 -1.2957000000e-03 -2.1271000000e-03  6.7030000000e-03 -4.2849000000e-03 -7.6838000000e-03  2.4934000000e-03 -3.5560000000e-04  1.5515000000e-03 -8.6550000000e-03  2.6384000000e-03  6.1145000000e-03
+
+JOB 46
+COORDS  3.3769300000e-01  1.0287920000e+00 -1.0422400000e+00  9.9487000000e-02  1.6710800000e+00 -3.7369300000e-01  1.2444000000e-02  1.9561100000e-01 -7.0127700000e-01 -3.5639200000e-01 -9.8858900000e-01  9.4862900000e-01  1.4662200000e-01 -6.0508800000e-01  1.6670560000e+00  4.4420000000e-03 -1.8692520000e+00  8.4634300000e-01
+ENERGY -1.526597922327e+02
+FORCES -4.9863000000e-03 -5.9141000000e-03  8.7533000000e-03  1.6763000000e-03 -1.1102000000e-03 -1.7098000000e-03  2.9711000000e-03  4.8360000000e-03 -6.8866000000e-03  4.4495000000e-03 -9.6750000000e-04  3.3613000000e-03 -2.7379000000e-03 -1.6630000000e-03 -3.5427000000e-03 -1.3727000000e-03  4.8187000000e-03  2.4600000000e-05
+
+JOB 47
+COORDS -1.3380070000e+00  4.1255200000e-01 -1.9437600000e-01 -1.6475460000e+00  5.9867900000e-01  6.9206300000e-01 -1.5648300000e+00  1.1949480000e+00 -6.9700800000e-01  1.4299500000e+00 -4.6233900000e-01  1.3905300000e-01  1.2656290000e+00 -9.9425500000e-01  9.1770300000e-01  5.8136900000e-01 -7.0510000000e-02 -6.7375000000e-02
+ENERGY -1.526607801365e+02
+FORCES -2.9747000000e-03  3.6732000000e-03  1.2439000000e-03  2.3596000000e-03 -1.0538000000e-03 -4.4498000000e-03  1.2194000000e-03 -3.7923000000e-03  3.1578000000e-03 -1.0974700000e-02  9.7510000000e-04 -3.7000000000e-06  4.2600000000e-04  1.9401000000e-03 -1.7455000000e-03  9.9444000000e-03 -1.7423000000e-03  1.7973000000e-03
+
+JOB 48
+COORDS  8.5114900000e-01  1.0857840000e+00  5.7433400000e-01  3.2510800000e-01  1.5849200000e+00  1.1991360000e+00  2.7058900000e-01  3.8489200000e-01  2.7780200000e-01 -8.2928900000e-01 -1.0429690000e+00 -5.5489200000e-01 -6.5504100000e-01 -8.4569200000e-01 -1.4751920000e+00 -2.7179000000e-01 -1.7965860000e+00 -3.6127300000e-01
+ENERGY -1.526618552456e+02
+FORCES -8.5731000000e-03 -5.6061000000e-03 -1.2647000000e-03  1.4438000000e-03 -1.7510000000e-03 -2.0011000000e-03  8.1909000000e-03  6.7725000000e-03  2.8957000000e-03  1.1740000000e-03 -4.0735000000e-03 -4.5575000000e-03 -6.3500000000e-05 -6.7970000000e-04  5.7063000000e-03 -2.1720000000e-03  5.3378000000e-03 -7.7870000000e-04
+
+JOB 49
+COORDS -4.4159900000e-01  1.2598230000e+00 -4.8973400000e-01 -2.6631900000e-01  2.2001490000e+00 -5.2574200000e-01 -1.3016670000e+00  1.1917250000e+00 -7.5153000000e-02  4.4452400000e-01 -1.3719820000e+00  4.7188200000e-01  1.0266000000e-01 -4.7855900000e-01  5.0587000000e-01  1.3904980000e+00 -1.2634050000e+00  3.7402500000e-01
+ENERGY -1.526581078903e+02
+FORCES -2.4623000000e-03  4.0420000000e-03 -5.5820000000e-04 -1.3494000000e-03 -4.4780000000e-03 -1.9300000000e-04  6.3818000000e-03 -1.1788000000e-03 -2.6200000000e-04  2.1997000000e-03  9.5192000000e-03 -4.1324000000e-03 -2.3025000000e-03 -6.6412000000e-03  4.3262000000e-03 -2.4674000000e-03 -1.2632000000e-03  8.1950000000e-04
+
+JOB 50
+COORDS -3.0946900000e-01 -1.4659700000e+00  8.8342000000e-02 -1.6831600000e-01 -5.6923800000e-01 -2.1527000000e-01 -4.7581000000e-01 -1.9664180000e+00 -7.1047900000e-01  3.2267700000e-01  1.3733280000e+00 -1.9087000000e-02  4.3061000000e-02  1.8457120000e+00 -8.0324300000e-01  4.1128300000e-01  2.0513670000e+00  6.5072200000e-01
+ENERGY -1.526596079544e+02
+FORCES  1.9078000000e-03  7.1850000000e-03 -1.7432000000e-03 -2.8897000000e-03 -9.2537000000e-03 -2.8779000000e-03  6.1620000000e-04  3.0575000000e-03  2.0948000000e-03 -3.1150000000e-04  3.8666000000e-03  3.3260000000e-03  9.1700000000e-04 -3.4745000000e-03  3.5452000000e-03 -2.3970000000e-04 -1.3808000000e-03 -4.3449000000e-03
+
+JOB 51
+COORDS  8.2955100000e-01 -6.8973200000e-01 -9.3621900000e-01  1.1289940000e+00 -1.5359000000e+00 -1.2687330000e+00  3.1817200000e-01 -3.1699900000e-01 -1.6544070000e+00 -8.6422300000e-01  7.1347700000e-01  1.0483510000e+00 -4.2882300000e-01  7.9550000000e-03  5.6991800000e-01 -4.9429300000e-01  1.5163400000e+00  6.8120600000e-01
+ENERGY -1.526600918969e+02
+FORCES  4.7420000000e-04 -2.5481000000e-03 -4.5929000000e-03 -1.6420000000e-03  4.3183000000e-03  6.7190000000e-04  2.1382000000e-03 -1.5700000000e-03  4.7933000000e-03  7.8460000000e-03 -2.8161000000e-03 -5.1551000000e-03 -6.6006000000e-03  4.6015000000e-03  3.7192000000e-03 -2.2158000000e-03 -1.9856000000e-03  5.6360000000e-04
+
+JOB 52
+COORDS -5.1070100000e-01  1.2875310000e+00 -3.4036600000e-01 -1.1597800000e+00  1.6539390000e+00 -9.4092700000e-01 -5.3635800000e-01  1.8652960000e+00  4.2236600000e-01  5.6253400000e-01 -1.3407440000e+00  3.9588300000e-01  2.2854000000e-02 -7.2308500000e-01 -9.7549000000e-02  8.5496400000e-01 -1.9778410000e+00 -2.5590300000e-01
+ENERGY -1.526604418219e+02
+FORCES -1.1932000000e-03  4.3492000000e-03  2.8897000000e-03  3.0306000000e-03 -1.7979000000e-03  2.8577000000e-03 -8.8110000000e-04 -1.4908000000e-03 -4.4663000000e-03 -2.3679000000e-03  5.5311000000e-03 -4.6570000000e-03  2.8998000000e-03 -9.2713000000e-03  1.8383000000e-03 -1.4881000000e-03  2.6797000000e-03  1.5376000000e-03
+
+JOB 53
+COORDS  7.2031800000e-01  2.7045500000e-01  1.3395940000e+00  5.6578000000e-02  9.4786200000e-01  1.4692100000e+00  3.9824800000e-01 -2.4239200000e-01  5.9831800000e-01 -6.0369500000e-01 -2.7235800000e-01 -1.2682880000e+00 -1.4855910000e+00 -4.0567200000e-01 -9.2084100000e-01 -7.1616600000e-01 -2.8248300000e-01 -2.2188030000e+00
+ENERGY -1.526583811924e+02
+FORCES -4.0839000000e-03  9.9190000000e-04 -8.3424000000e-03  1.5408000000e-03 -2.3839000000e-03  6.4760000000e-04  4.2340000000e-04  1.6330000000e-04  7.9398000000e-03 -2.2138000000e-03 -2.2600000000e-05 -4.3036000000e-03  5.2898000000e-03  1.0150000000e-03 -2.8770000000e-04 -9.5630000000e-04  2.3620000000e-04  4.3462000000e-03
+
+JOB 54
+COORDS -8.3295000000e-01 -2.2738600000e-01  1.2609540000e+00 -2.0158500000e-01 -2.7884000000e-02  5.6971600000e-01 -1.2894070000e+00  5.9973100000e-01  1.4150780000e+00  8.3164400000e-01  2.0006000000e-01 -1.1713360000e+00  2.1976200000e-01  4.2304400000e-01 -1.8728410000e+00  1.2905710000e+00 -5.7671700000e-01 -1.4910790000e+00
+ENERGY -1.526615886625e+02
+FORCES  5.0003000000e-03  4.1463000000e-03 -6.5193000000e-03 -6.3869000000e-03 -1.5307000000e-03  8.4334000000e-03  1.2744000000e-03 -2.5032000000e-03 -1.2316000000e-03 -3.9790000000e-04 -3.0154000000e-03 -5.1728000000e-03  3.0440000000e-03 -1.0774000000e-03  3.5460000000e-03 -2.5340000000e-03  3.9804000000e-03  9.4440000000e-04
+
+JOB 55
+COORDS -5.4736100000e-01 -1.2303380000e+00 -5.2402000000e-01 -1.2366530000e+00 -1.0129450000e+00 -1.1515940000e+00 -1.7482700000e-01 -2.0492670000e+00 -8.5083200000e-01  6.1131900000e-01  1.2955160000e+00  5.4675600000e-01  2.2648600000e-01  1.5902610000e+00  1.3721410000e+00  1.6916900000e-01  4.6783800000e-01  3.5785600000e-01
+ENERGY -1.526615328118e+02
+FORCES  4.4520000000e-04 -2.9817000000e-03 -4.3352000000e-03  3.3053000000e-03 -1.4012000000e-03  3.1079000000e-03 -3.0427000000e-03  3.1891000000e-03  5.3990000000e-04 -3.5976000000e-03 -6.9032000000e-03 -1.2700000000e-05  7.5320000000e-04 -1.4270000000e-03 -2.8976000000e-03  2.1366000000e-03  9.5240000000e-03  3.5978000000e-03
+
+JOB 56
+COORDS -1.4537000000e-01  5.1017800000e-01 -1.4073250000e+00 -1.0903590000e+00  6.5681600000e-01 -1.4488420000e+00  2.1952800000e-01  1.3625180000e+00 -1.1694240000e+00  1.3516200000e-01 -5.5422800000e-01  1.4392850000e+00  1.2969000000e-01 -3.7448500000e-01  4.9912900000e-01  9.7465000000e-01 -9.8655400000e-01  1.5960830000e+00
+ENERGY -1.526615542626e+02
+FORCES -3.5183000000e-03  5.9753000000e-03 -2.1404000000e-03  5.0834000000e-03 -6.6020000000e-04  7.2560000000e-04 -1.7511000000e-03 -5.1370000000e-03 -3.3060000000e-04  2.0435000000e-03 -2.9440000000e-04 -7.7845000000e-03  7.1410000000e-04 -1.7734000000e-03  1.0481500000e-02 -2.5717000000e-03  1.8899000000e-03 -9.5170000000e-04
+
+JOB 57
+COORDS -1.1172060000e+00  7.7922400000e-01  7.0629800000e-01 -3.3196800000e-01  4.8400900000e-01  1.1672540000e+00 -1.0860370000e+00  1.7340290000e+00  7.6635000000e-01  1.0192730000e+00 -8.7225500000e-01 -7.3410300000e-01  1.1731930000e+00 -2.6834500000e-01 -1.4606250000e+00  1.6491200000e+00 -6.0693000000e-01 -6.3933000000e-02
+ENERGY -1.526513224595e+02
+FORCES  4.8858000000e-03 -6.0870000000e-04  7.1090000000e-04 -2.2844000000e-03  2.7306000000e-03  4.4690000000e-04  6.1340000000e-04 -4.1647000000e-03 -1.2208000000e-03  5.2160000000e-04  5.1940000000e-03 -1.7619000000e-03  6.1090000000e-04 -2.9214000000e-03  2.8091000000e-03 -4.3473000000e-03 -2.2970000000e-04 -9.8410000000e-04
+
+JOB 58
+COORDS -4.3430000000e-01 -1.1593400000e-01 -1.4276700000e+00 -2.5422900000e-01 -7.8210900000e-01 -2.0910080000e+00 -1.3885570000e+00 -1.0252300000e-01 -1.3538810000e+00  4.5838700000e-01  2.1434900000e-01  1.5027930000e+00  1.0574490000e+00 -4.6317500000e-01  1.8163480000e+00  2.5935500000e-01 -3.9639000000e-02  6.0162300000e-01
+ENERGY -1.526609634523e+02
+FORCES -3.8176000000e-03 -1.9110000000e-03 -4.8617000000e-03 -1.3769000000e-03  2.9975000000e-03  3.0706000000e-03  5.0972000000e-03 -7.5610000000e-04 -2.2550000000e-04  6.8670000000e-04 -3.0147000000e-03 -6.8127000000e-03 -1.9957000000e-03  1.9803000000e-03 -1.4159000000e-03  1.4063000000e-03  7.0400000000e-04  1.0245200000e-02
+
+JOB 59
+COORDS  7.1596300000e-01 -1.4554330000e+00 -2.9116600000e-01  5.1387300000e-01 -5.2244600000e-01 -2.2097600000e-01 -6.7559000000e-02 -1.8419420000e+00 -6.8223700000e-01 -6.2224700000e-01  1.4229490000e+00  2.4710400000e-01 -4.4054600000e-01  1.9996070000e+00  9.8918300000e-01 -1.3360010000e+00  8.6108600000e-01  5.4892700000e-01
+ENERGY -1.526593612407e+02
+FORCES -3.4058000000e-03  5.5944000000e-03 -1.7452000000e-03  1.3983000000e-03 -9.0419000000e-03 -4.0490000000e-04  2.1619000000e-03  1.4976000000e-03  2.1087000000e-03 -3.2270000000e-03  3.1903000000e-03  5.7474000000e-03 -1.5124000000e-03 -2.6277000000e-03 -3.3683000000e-03  4.5849000000e-03  1.3874000000e-03 -2.3376000000e-03
+
+JOB 60
+COORDS -1.0270100000e+00  2.3890200000e-01 -1.2029700000e+00 -9.0200900000e-01  2.0359000000e-02 -2.1264660000e+00 -2.5987100000e-01  7.6386400000e-01 -9.7461800000e-01  9.7860000000e-01 -3.2751700000e-01  1.2546820000e+00  1.5667350000e+00  2.2506500000e-01  7.3991700000e-01  3.1923000000e-01  2.7657600000e-01  1.5960560000e+00
+ENERGY -1.526518058945e+02
+FORCES  4.8414000000e-03 -9.1690000000e-04 -1.7798000000e-03 -2.8890000000e-04  9.9690000000e-04  3.9006000000e-03 -2.7232000000e-03  8.5800000000e-05 -5.0180000000e-04 -2.0221000000e-03  3.1976000000e-03 -3.0720000000e-04 -3.7489000000e-03 -1.6786000000e-03  5.6310000000e-04  3.9418000000e-03 -1.6849000000e-03 -1.8748000000e-03
+
+JOB 61
+COORDS -2.8482300000e-01  1.3730390000e+00 -8.9223100000e-01 -5.5121100000e-01  8.7522300000e-01 -1.6651790000e+00  2.3411100000e-01  7.5589500000e-01 -3.7641000000e-01  2.1838400000e-01 -1.2924730000e+00  8.6662200000e-01  1.0546420000e+00 -1.6719020000e+00  5.9655200000e-01  2.7937700000e-01 -1.2311490000e+00  1.8199060000e+00
+ENERGY -1.526585105932e+02
+FORCES -5.3900000000e-05 -7.9615000000e-03  1.6575000000e-03  1.2001000000e-03  2.3220000000e-03  1.8787000000e-03  5.4880000000e-04  6.6186000000e-03 -4.6615000000e-03  1.9857000000e-03 -3.8284000000e-03  5.3316000000e-03 -3.9780000000e-03  3.3716000000e-03  4.4150000000e-04  2.9750000000e-04 -5.2230000000e-04 -4.6478000000e-03
+
+JOB 62
+COORDS  5.7581600000e-01 -9.2371600000e-01 -1.3387390000e+00  8.8790600000e-01 -1.2157290000e+00 -4.8225800000e-01  6.4561600000e-01  3.0410000000e-02 -1.3070770000e+00 -5.4565100000e-01  8.9629500000e-01  1.3263570000e+00 -1.1587120000e+00  1.6673100000e-01  1.4165040000e+00 -8.4820400000e-01  1.3696380000e+00  5.5134700000e-01
+ENERGY -1.526561812382e+02
+FORCES  2.7342000000e-03  3.6309000000e-03  5.8098000000e-03 -1.3991000000e-03 -6.6900000000e-04 -4.2872000000e-03 -1.5016000000e-03 -2.9617000000e-03 -1.7694000000e-03 -5.7741000000e-03 -1.2047000000e-03 -2.5506000000e-03  3.1843000000e-03  3.0935000000e-03  2.1750000000e-04  2.7563000000e-03 -1.8891000000e-03  2.5799000000e-03
+
+JOB 63
+COORDS -7.5943300000e-01  9.2302800000e-01  1.1247850000e+00 -4.2862400000e-01  1.7894030000e+00  1.3618300000e+00 -7.7576500000e-01  4.3832600000e-01  1.9500300000e+00  7.3968200000e-01 -1.0134750000e+00 -1.2009940000e+00  1.2695550000e+00 -3.5613300000e-01 -1.6519560000e+00  2.6564800000e-01 -5.2108800000e-01 -5.3086000000e-01
+ENERGY -1.526597952862e+02
+FORCES -7.5400000000e-05  3.4089000000e-03  6.2955000000e-03 -1.4735000000e-03 -3.9793000000e-03 -8.0210000000e-04  4.3720000000e-04  2.3274000000e-03 -4.0837000000e-03 -1.6465000000e-03  6.3663000000e-03  2.5514000000e-03 -1.4225000000e-03 -2.3707000000e-03  1.2983000000e-03  4.1806000000e-03 -5.7527000000e-03 -5.2595000000e-03
+
+JOB 64
+COORDS  9.1815600000e-01 -1.4998520000e+00 -2.6487000000e-02  5.5767200000e-01 -6.2441800000e-01 -1.6754500000e-01  2.4834600000e-01 -1.9559800000e+00  4.8295700000e-01 -7.9761200000e-01  1.4898040000e+00  2.1682000000e-02 -1.5306370000e+00  1.2714610000e+00  5.9721000000e-01 -1.1715160000e+00  1.4748790000e+00 -8.5934300000e-01
+ENERGY -1.526584520350e+02
+FORCES -4.4068000000e-03  4.5019000000e-03  2.1212000000e-03  2.8636000000e-03 -7.7944000000e-03 -1.0753000000e-03  2.1610000000e-03  1.2980000000e-03 -1.8582000000e-03 -6.5853000000e-03  2.9823000000e-03 -6.7700000000e-04  3.6632000000e-03  1.2980000000e-04 -2.9634000000e-03  2.3044000000e-03 -1.1177000000e-03  4.4528000000e-03
+
+JOB 65
+COORDS -1.3338700000e+00 -6.7659800000e-01  7.1960600000e-01 -1.7568530000e+00 -1.4022570000e+00  2.6054600000e-01 -1.6934210000e+00 -7.1122000000e-01  1.6060350000e+00  1.3962370000e+00  7.1715800000e-01 -6.7360500000e-01  1.6246000000e+00  9.8454000000e-02 -1.3673540000e+00  8.7626200000e-01  1.3897440000e+00 -1.1134740000e+00
+ENERGY -1.526521709829e+02
+FORCES -2.2659000000e-03 -3.1693000000e-03  2.3195000000e-03  2.0160000000e-03  3.2319000000e-03  1.4108000000e-03  1.4663000000e-03  3.2150000000e-04 -3.8728000000e-03 -3.6418000000e-03 -7.2330000000e-04 -3.4895000000e-03 -5.1350000000e-04  2.3941000000e-03  2.4564000000e-03  2.9389000000e-03 -2.0549000000e-03  1.1757000000e-03
+
+JOB 66
+COORDS -1.3940170000e+00 -5.7335500000e-01 -1.0259790000e+00 -1.2020920000e+00 -7.7462200000e-01 -1.1007100000e-01 -5.9647600000e-01 -8.1485400000e-01 -1.4969760000e+00  1.3690340000e+00  5.9990400000e-01  9.3707600000e-01  7.1492100000e-01 -3.1600000000e-02  1.2363580000e+00  1.4256730000e+00  1.2408500000e+00  1.6457450000e+00
+ENERGY -1.526527096406e+02
+FORCES  5.2887000000e-03 -5.9910000000e-04  9.4960000000e-04 -5.9700000000e-05  6.7280000000e-04 -1.9768000000e-03 -4.2141000000e-03  4.1900000000e-05  1.8715000000e-03 -2.3092000000e-03  1.5924000000e-03  4.6746000000e-03  1.4198000000e-03  1.2462000000e-03 -2.5393000000e-03 -1.2550000000e-04 -2.9541000000e-03 -2.9796000000e-03
+
+JOB 67
+COORDS  3.5101100000e-01  1.6268350000e+00 -6.4096900000e-01  1.0185670000e+00  1.1646480000e+00 -1.1479060000e+00  7.6934500000e-01  1.8039660000e+00  2.0155900000e-01 -4.1116000000e-01 -1.6238350000e+00  6.8423600000e-01 -9.7913100000e-01 -1.0145860000e+00  2.1258300000e-01  1.4537300000e-01 -2.0069540000e+00  6.2070000000e-03
+ENERGY -1.526562588965e+02
+FORCES  5.5368000000e-03 -5.0640000000e-04  2.5372000000e-03 -3.2293000000e-03  1.2923000000e-03  1.7173000000e-03 -1.6779000000e-03 -3.8500000000e-05 -4.0855000000e-03 -7.9140000000e-04  2.4583000000e-03 -5.3302000000e-03  1.7192000000e-03 -4.6737000000e-03  2.4947000000e-03 -1.5574000000e-03  1.4681000000e-03  2.6666000000e-03
+
+JOB 68
+COORDS  1.2854700000e+00  2.8542900000e-01 -1.1407210000e+00  2.0150330000e+00  4.2460900000e-01 -1.7445400000e+00  7.3937900000e-01  1.0652310000e+00 -1.2403530000e+00 -1.2859630000e+00 -2.9853100000e-01  1.1330970000e+00 -6.6627900000e-01 -5.7348900000e-01  1.8088360000e+00 -2.0859110000e+00 -7.8667300000e-01  1.3281140000e+00
+ENERGY -1.526545522817e+02
+FORCES -9.1550000000e-04  4.0863000000e-03 -2.5729000000e-03 -3.0474000000e-03 -8.3560000000e-04  2.6226000000e-03  3.6901000000e-03 -2.5727000000e-03 -5.9630000000e-04  5.4150000000e-04 -4.0335000000e-03  3.2132000000e-03 -3.4593000000e-03  1.2911000000e-03 -1.8238000000e-03  3.1906000000e-03  2.0644000000e-03 -8.4270000000e-04
+
+JOB 69
+COORDS  2.3226400000e-01 -1.2667200000e+00 -1.3043810000e+00  3.8488700000e-01 -1.9737650000e+00 -1.9312990000e+00 -2.7025800000e-01 -6.1585200000e-01 -1.7943540000e+00 -2.3066500000e-01  1.1986550000e+00  1.3790480000e+00  2.7339200000e-01  1.7835050000e+00  1.9448310000e+00 -4.3164300000e-01  1.7266190000e+00  6.0633000000e-01
+ENERGY -1.526521505151e+02
+FORCES -1.7988000000e-03 -3.2430000000e-04 -4.1693000000e-03 -4.8590000000e-04  2.9496000000e-03  2.8825000000e-03  2.1591000000e-03 -2.0756000000e-03  1.8741000000e-03  2.0417000000e-03  3.9656000000e-03 -1.1229000000e-03 -2.1976000000e-03 -2.4576000000e-03 -2.1829000000e-03  2.8150000000e-04 -2.0578000000e-03  2.7186000000e-03
+
+JOB 70
+COORDS  1.7600830000e+00 -6.4194500000e-01  5.1280000000e-02  2.3472440000e+00 -1.2759090000e+00 -3.6050100000e-01  1.8238000000e+00 -8.2893300000e-01  9.8787400000e-01 -1.8416180000e+00  7.1091900000e-01 -1.2562000000e-01 -1.5150950000e+00  1.1700060000e+00  6.4823600000e-01 -1.4083210000e+00 -1.4218600000e-01 -9.9191000000e-02
+ENERGY -1.526554792861e+02
+FORCES  4.6100000000e-03 -3.3417000000e-03  1.4121000000e-03 -2.5403000000e-03  2.6483000000e-03  2.0180000000e-03 -1.2832000000e-03  9.3850000000e-04 -4.0084000000e-03  5.2989000000e-03 -1.7754000000e-03  2.3875000000e-03 -2.0163000000e-03 -1.5965000000e-03 -2.3751000000e-03 -4.0691000000e-03  3.1269000000e-03  5.6590000000e-04
+
+JOB 71
+COORDS  3.9734100000e-01  1.7959910000e+00  9.6760300000e-01  8.1874800000e-01  9.8767000000e-01  6.7560200000e-01  7.4469000000e-02  2.2023870000e+00  1.6334700000e-01 -4.6018100000e-01 -1.8025780000e+00 -9.1419000000e-01  2.0680200000e-01 -1.5161290000e+00 -1.5381390000e+00 -1.0326600000e-01 -1.5690330000e+00 -5.7276000000e-02
+ENERGY -1.526530815705e+02
+FORCES -2.2160000000e-04 -8.2770000000e-04 -4.8775000000e-03 -1.7352000000e-03  2.0547000000e-03  1.3547000000e-03  1.8471000000e-03 -1.5843000000e-03  3.5312000000e-03  3.5219000000e-03  7.2380000000e-04  1.0353000000e-03 -2.8085000000e-03 -4.0980000000e-04  3.1747000000e-03 -6.0370000000e-04  4.3300000000e-05 -4.2183000000e-03
+
+JOB 72
+COORDS -3.3030300000e-01 -1.9367590000e+00  7.9325000000e-01  4.4529600000e-01 -1.4247120000e+00  5.6415200000e-01 -8.3869300000e-01 -1.9777270000e+00 -1.6745000000e-02  3.0321100000e-01  1.8967810000e+00 -6.6331300000e-01  8.4169200000e-01  2.5588940000e+00 -1.0967600000e+00 -9.3226000000e-02  1.4025460000e+00 -1.3808100000e+00
+ENERGY -1.526543955157e+02
+FORCES  1.3621000000e-03  3.0184000000e-03 -3.5965000000e-03 -3.2588000000e-03 -3.5311000000e-03  5.2310000000e-04  1.9782000000e-03  1.4640000000e-04  2.8420000000e-03  1.9330000000e-04  2.2089000000e-03 -4.8337000000e-03 -2.3208000000e-03 -2.9518000000e-03  1.8205000000e-03  2.0460000000e-03  1.1092000000e-03  3.2445000000e-03
+
+JOB 73
+COORDS  4.8492100000e-01  1.2242450000e+00 -1.5929920000e+00  9.3303700000e-01  1.7488780000e+00 -9.2952900000e-01  6.5522600000e-01  1.6819880000e+00 -2.4162170000e+00 -4.8858200000e-01 -1.2571060000e+00  1.6616470000e+00 -2.6721800000e-01 -2.0162770000e+00  1.1223060000e+00 -1.2635120000e+00 -8.8277800000e-01  1.2426070000e+00
+ENERGY -1.526553312317e+02
+FORCES  3.0381000000e-03  4.1438000000e-03 -2.2650000000e-04 -1.9609000000e-03 -1.7385000000e-03 -3.3154000000e-03 -7.1820000000e-04 -1.9320000000e-03  3.3747000000e-03 -2.0779000000e-03 -1.1968000000e-03 -5.1564000000e-03 -9.7380000000e-04  2.4980000000e-03  2.7271000000e-03  2.6927000000e-03 -1.7746000000e-03  2.5964000000e-03
+
+JOB 74
+COORDS -1.0691800000e-01 -2.1108690000e+00  5.1589600000e-01  8.1003000000e-02 -1.2591370000e+00  9.1019400000e-01 -8.9926300000e-01 -2.4117060000e+00  9.6077600000e-01  1.3749600000e-01  2.0608930000e+00 -6.3023500000e-01  2.1809700000e-01  2.9262980000e+00 -2.2922500000e-01  1.1336000000e-01  1.4546390000e+00  1.1010700000e-01
+ENERGY -1.526523120121e+02
+FORCES -2.7248000000e-03  1.5400000000e-03  3.2454000000e-03 -8.4730000000e-04 -2.1498000000e-03 -1.7600000000e-03  3.5209000000e-03  1.3487000000e-03 -1.8180000000e-03  3.3230000000e-04  1.4445000000e-03  4.2798000000e-03 -4.0880000000e-04 -3.7919000000e-03 -1.7391000000e-03  1.2760000000e-04  1.6085000000e-03 -2.2082000000e-03
+
+JOB 75
+COORDS -4.1439800000e-01  2.0004480000e+00  1.4657250000e+00 -6.3041000000e-02  1.2447810000e+00  9.9482400000e-01  5.6711000000e-02  2.0042510000e+00  2.2989560000e+00  3.6319500000e-01 -1.8921120000e+00 -1.4679430000e+00  5.4198200000e-01 -2.6835460000e+00 -9.6010500000e-01  2.3151300000e-01 -2.2057250000e+00 -2.3626710000e+00
+ENERGY -1.526551883799e+02
+FORCES  3.3445000000e-03 -3.4788000000e-03  7.2760000000e-04 -1.4050000000e-03  3.7470000000e-03  2.8821000000e-03 -1.8836000000e-03  6.3000000000e-06 -3.1705000000e-03 -5.7800000000e-05 -4.7848000000e-03 -2.2998000000e-03 -6.4810000000e-04  3.4432000000e-03 -1.8912000000e-03  6.5010000000e-04  1.0670000000e-03  3.7518000000e-03
+
+JOB 76
+COORDS -2.6029300000e-01 -2.1182610000e+00 -1.1726810000e+00 -4.5865000000e-01 -2.9836150000e+00 -8.1484200000e-01  4.2898300000e-01 -2.2774430000e+00 -1.8175000000e+00  2.2450000000e-01  2.2257230000e+00  1.2423120000e+00  9.6693000000e-01  2.0902860000e+00  6.5351100000e-01 -4.3450500000e-01  1.5979610000e+00  9.4590100000e-01
+ENERGY -1.526553186425e+02
+FORCES  1.8692000000e-03 -4.8216000000e-03 -1.3176000000e-03  8.6360000000e-04  3.5892000000e-03 -1.5634000000e-03 -2.7729000000e-03  8.2570000000e-04  2.7378000000e-03  1.2960000000e-04 -3.8528000000e-03 -3.9195000000e-03 -2.6158000000e-03  9.9160000000e-04  2.4233000000e-03  2.5264000000e-03  3.2679000000e-03  1.6393000000e-03
+
+JOB 77
+COORDS -3.7708500000e-01 -1.2235340000e+00 -2.0974740000e+00 -3.8942800000e-01 -2.1480470000e+00 -1.8497750000e+00  1.5400500000e-01 -1.1953800000e+00 -2.8933270000e+00  3.9846700000e-01  1.3136780000e+00  2.1441550000e+00 -1.2763400000e-01  7.7100100000e-01  2.7314810000e+00 -2.9736000000e-02  1.2300230000e+00  1.2921720000e+00
+ENERGY -1.526551893254e+02
+FORCES  2.4079000000e-03 -3.8726000000e-03 -2.6993000000e-03 -6.6600000000e-05  3.8527000000e-03 -9.1700000000e-04 -2.2798000000e-03 -2.1260000000e-04  3.2501000000e-03 -3.9548000000e-03 -2.7483000000e-03 -1.8072000000e-03  2.1365000000e-03  2.1347000000e-03 -2.0829000000e-03  1.7568000000e-03  8.4610000000e-04  4.2563000000e-03
+
+JOB 78
+COORDS -4.4557000000e-01 -3.0410000000e-03 -2.5887920000e+00  5.9724000000e-02  7.2029500000e-01 -2.2177180000e+00 -4.0995900000e-01 -6.8801200000e-01 -1.9211260000e+00  4.3205500000e-01 -5.4958000000e-02  2.5100460000e+00 -1.7793800000e-01  1.7462800000e-01  3.2110670000e+00  7.5313700000e-01  7.8660000000e-01  2.1861350000e+00
+ENERGY -1.526546220679e+02
+FORCES  2.2142000000e-03 -2.6750000000e-04  4.5626000000e-03 -2.0024000000e-03 -2.5720000000e-03 -1.5399000000e-03 -1.9920000000e-04  2.9400000000e-03 -3.2306000000e-03 -1.2209000000e-03  4.3936000000e-03  2.4365000000e-03  2.6036000000e-03 -9.0050000000e-04 -2.9678000000e-03 -1.3953000000e-03 -3.5935000000e-03  7.3920000000e-04
+
+JOB 79
+COORDS  9.2829300000e-01 -2.3526460000e+00  8.4141300000e-01  4.2618600000e-01 -2.9742280000e+00  1.3684390000e+00  3.0541400000e-01 -1.6562080000e+00  6.3350100000e-01 -8.6919700000e-01  2.4074290000e+00 -8.8417400000e-01 -4.9497500000e-01  2.1721670000e+00 -3.5150000000e-02 -1.0673530000e+00  1.5683080000e+00 -1.2999160000e+00
+ENERGY -1.526533557693e+02
+FORCES -4.5112000000e-03 -2.9990000000e-04  1.5330000000e-03  2.0904000000e-03  2.7214000000e-03 -2.2632000000e-03  2.4755000000e-03 -2.2116000000e-03  6.2490000000e-04  9.8770000000e-04 -3.8377000000e-03  1.4440000000e-03 -1.8299000000e-03  4.6200000000e-04 -3.5341000000e-03  7.8750000000e-04  3.1658000000e-03  2.1954000000e-03
+
+JOB 80
+COORDS  1.1345370000e+00 -2.1883460000e+00  9.3713200000e-01  2.0575440000e+00 -2.4221500000e+00  8.3902600000e-01  6.7378400000e-01 -2.7717860000e+00  3.3419200000e-01 -1.1823550000e+00  2.1960300000e+00 -9.5048700000e-01 -1.0368130000e+00  1.8808280000e+00 -5.8468000000e-02 -9.0639900000e-01  3.1123430000e+00 -9.2924800000e-01
+ENERGY -1.526547197944e+02
+FORCES  1.8958000000e-03 -3.4452000000e-03 -3.2040000000e-03 -3.7324000000e-03  9.3250000000e-04  4.9800000000e-04  1.9447000000e-03  2.2743000000e-03  2.6519000000e-03  1.9865000000e-03  2.0312000000e-03  4.0126000000e-03 -9.6250000000e-04  1.8064000000e-03 -3.7970000000e-03 -1.1321000000e-03 -3.5992000000e-03 -1.6160000000e-04
+
+JOB 81
+COORDS -7.4009000000e-01  2.0218150000e+00 -1.8379810000e+00 -9.7491600000e-01  2.3112640000e+00 -9.5633000000e-01 -1.1293790000e+00  1.1508640000e+00 -1.9162830000e+00  7.7514900000e-01 -2.0534360000e+00  1.7778590000e+00  8.3165000000e-02 -1.5279570000e+00  2.1794330000e+00  1.4836780000e+00 -1.4313770000e+00  1.6127500000e+00
+ENERGY -1.526540873164e+02
+FORCES -2.7805000000e-03 -2.4315000000e-03  2.8803000000e-03  1.1519000000e-03 -1.2861000000e-03 -3.3828000000e-03  1.6266000000e-03  3.7722000000e-03  4.8570000000e-04  5.1980000000e-04  4.5140000000e-03  1.1842000000e-03  2.6259000000e-03 -2.0130000000e-03 -1.9030000000e-03 -3.1438000000e-03 -2.5557000000e-03  7.3560000000e-04
+
+JOB 82
+COORDS -6.2841600000e-01 -2.4973320000e+00  1.3709790000e+00 -2.7441500000e-01 -2.4127630000e+00  4.8567500000e-01 -3.0986900000e-01 -3.3466220000e+00  1.6767020000e+00  5.9301900000e-01  2.4733330000e+00 -1.3405680000e+00  2.6732300000e-01  3.0327720000e+00 -2.0456800000e+00  8.3517000000e-01  3.0826510000e+00 -6.4319700000e-01
+ENERGY -1.526543358669e+02
+FORCES  2.8392000000e-03 -2.7081000000e-03 -2.6756000000e-03 -1.5162000000e-03 -8.4110000000e-04  3.7821000000e-03 -1.3080000000e-03  3.3995000000e-03 -1.1647000000e-03 -5.1010000000e-04  4.8519000000e-03  2.5390000000e-04  1.3777000000e-03 -2.3102000000e-03  2.8101000000e-03 -8.8260000000e-04 -2.3920000000e-03 -3.0058000000e-03
+
+JOB 83
+COORDS -6.4532800000e-01  2.0704110000e+00 -2.3289490000e+00 -4.0469400000e-01  2.2705630000e+00 -1.4243680000e+00 -2.9948000000e-02  1.3873990000e+00 -2.5954710000e+00  6.4428900000e-01 -1.9924440000e+00  2.3121100000e+00  7.5027700000e-01 -2.9412830000e+00  2.2435420000e+00 -2.6507600000e-01 -1.8336290000e+00  2.0590000000e+00
+ENERGY -1.526544519598e+02
+FORCES  3.7741000000e-03 -1.8365000000e-03  2.6339000000e-03 -1.1967000000e-03 -8.3420000000e-04 -3.7210000000e-03 -2.6586000000e-03  2.7207000000e-03  9.9580000000e-04 -3.3572000000e-03 -3.5002000000e-03 -1.0069000000e-03 -4.2200000000e-04  3.9277000000e-03  2.1550000000e-04  3.8605000000e-03 -4.7750000000e-04  8.8270000000e-04
+
+JOB 84
+COORDS  1.7301500000e-01  2.0428370000e+00  2.5236530000e+00 -7.8411200000e-01  2.0335990000e+00  2.5162440000e+00  4.2127700000e-01  1.1219940000e+00  2.6051740000e+00 -1.3730300000e-01 -1.9677520000e+00 -2.4658030000e+00 -8.5630200000e-01 -2.0352390000e+00 -3.0940690000e+00  6.3612900000e-01 -2.2479820000e+00 -2.9551960000e+00
+ENERGY -1.526543301976e+02
+FORCES -2.8960000000e-03 -4.0726000000e-03 -1.4040000000e-04  3.8106000000e-03  1.9840000000e-04  2.1740000000e-04 -9.4180000000e-04  3.8636000000e-03  8.5000000000e-06  3.2710000000e-04 -1.2909000000e-03 -4.7163000000e-03  2.8914000000e-03  2.3500000000e-04  2.6119000000e-03 -3.1912000000e-03  1.0664000000e-03  2.0189000000e-03
+
+JOB 85
+COORDS -4.3857900000e-01 -3.1504300000e+00  9.3664800000e-01 -1.3292000000e+00 -3.4888980000e+00  8.4463700000e-01  4.6536000000e-02 -3.5523230000e+00  2.1597000000e-01  5.1023100000e-01  3.2207050000e+00 -9.2005500000e-01  5.5840700000e-01  2.4888250000e+00 -3.0502300000e-01 -4.0723100000e-01  3.4927480000e+00 -8.9796400000e-01
+ENERGY -1.526544842373e+02
+FORCES -1.5878000000e-03 -3.3251000000e-03 -3.2977000000e-03  3.6189000000e-03  1.4903000000e-03  3.6760000000e-04 -2.0294000000e-03  1.7200000000e-03  2.9636000000e-03 -3.5164000000e-03 -2.0569000000e-03  2.7714000000e-03 -1.6900000000e-04  3.1913000000e-03 -2.6322000000e-03  3.6837000000e-03 -1.0196000000e-03 -1.7280000000e-04
+
+JOB 86
+COORDS -2.5440700000e-01  3.3498890000e+00  4.0661000000e-01  3.0582000000e-01  3.4039610000e+00  1.1808540000e+00 -9.5096000000e-01  2.7426940000e+00  6.5633000000e-01  2.8201300000e-01 -3.3810760000e+00 -4.5723700000e-01 -6.1678700000e-01 -3.0531280000e+00 -4.2824600000e-01  8.1482000000e-01 -2.6056910000e+00 -6.3366300000e-01
+ENERGY -1.526540870305e+02
+FORCES -6.1600000000e-04 -1.8409000000e-03  4.3694000000e-03 -2.3035000000e-03 -3.5670000000e-04 -3.2567000000e-03  2.9396000000e-03  2.2260000000e-03 -1.1742000000e-03 -1.4102000000e-03  4.4523000000e-03 -8.7610000000e-04  3.6342000000e-03 -1.2786000000e-03  3.9700000000e-05 -2.2442000000e-03 -3.2020000000e-03  8.9790000000e-04
+
+JOB 87
+COORDS -2.5147000000e-01  3.2284740000e+00 -1.2030280000e+00 -3.3449500000e-01  3.4608310000e+00 -2.1278790000e+00 -6.1236000000e-02  2.2903780000e+00 -1.2074090000e+00  2.4945700000e-01 -3.1864020000e+00  1.1947480000e+00  3.7898800000e-01 -3.9493310000e+00  1.7581250000e+00  4.7959000000e-02 -2.4726550000e+00  1.7998890000e+00
+ENERGY -1.526544019177e+02
+FORCES  4.6910000000e-04 -2.9824000000e-03 -3.9125000000e-03  3.2740000000e-04 -8.7620000000e-04  3.7622000000e-03 -8.1020000000e-04  3.9454000000e-03  1.5060000000e-04 -3.0180000000e-04 -3.5710000000e-04  4.9246000000e-03 -5.3080000000e-04  3.1176000000e-03 -2.3015000000e-03  8.4630000000e-04 -2.8474000000e-03 -2.6234000000e-03
+
+JOB 88
+COORDS -8.6000000000e-03  3.7193850000e+00  2.0312560000e+00 -7.8515800000e-01  3.1598120000e+00  2.0230780000e+00  7.1676700000e-01  3.1261150000e+00  1.8360510000e+00  3.4069000000e-02 -3.5861840000e+00 -2.0310590000e+00  5.3820300000e-01 -4.3189910000e+00 -1.6773990000e+00 -8.4040900000e-01 -3.9459890000e+00 -2.1795890000e+00
+ENERGY -1.526542657083e+02
+FORCES -1.8410000000e-04 -4.7990000000e-03 -9.9140000000e-04  3.1060000000e-03  2.3355000000e-03  1.2670000000e-04 -2.9261000000e-03  2.4859000000e-03  9.0130000000e-04 -1.4934000000e-03 -4.5724000000e-03  6.7960000000e-04 -2.0673000000e-03  3.0396000000e-03 -1.3867000000e-03  3.5648000000e-03  1.5103000000e-03  6.7050000000e-04
+
+JOB 89
+COORDS  4.3000100000e-01 -3.1700340000e+00  4.1505110000e+00  1.1524480000e+00 -3.0508310000e+00  4.7670270000e+00 -3.0335500000e-01 -3.4595980000e+00  4.6932570000e+00 -4.3902500000e-01  3.1170460000e+00 -4.2386180000e+00  3.8837900000e-01  3.5320620000e+00 -3.9949030000e+00 -1.1014350000e+00  3.7885750000e+00 -4.0758490000e+00
+ENERGY -1.526539957991e+02
+FORCES -6.1000000000e-05 -7.1420000000e-04  4.6911000000e-03 -2.9432000000e-03 -4.7300000000e-04 -2.5076000000e-03  2.9997000000e-03  1.1893000000e-03 -2.1969000000e-03  6.8450000000e-04  4.3668000000e-03  1.7414000000e-03 -3.3753000000e-03 -1.6541000000e-03 -1.0337000000e-03  2.6953000000e-03 -2.7148000000e-03 -6.9420000000e-04
+
+JOB 0
+COORDS -6.6112000000e-01 -5.6940600000e-01  1.0200830000e+00 -4.3355600000e-01 -1.4711670000e+00  7.9364600000e-01 -2.2559800000e-01 -3.7507000000e-02  3.5402300000e-01  5.6025700000e-01  5.9558200000e-01 -9.5862000000e-01  9.9664100000e-01 -1.3033700000e-01 -1.4045390000e+00  1.2638590000e+00  1.2138940000e+00 -7.6147300000e-01
+ENERGY -1.526566047844e+02
+FORCES  1.0379800000e-02  8.8689000000e-03 -1.7368500000e-02  3.7030000000e-04  2.5939000000e-03 -7.8150000000e-04 -2.9433000000e-03 -4.2936000000e-03  6.9848000000e-03 -1.8861000000e-03 -6.1958000000e-03  8.1235000000e-03 -2.2245000000e-03  3.5301000000e-03  3.9506000000e-03 -3.6962000000e-03 -4.5035000000e-03 -9.0890000000e-04
+
+JOB 1
+COORDS  3.9570000000e-01  7.9377400000e-01  1.0134920000e+00  4.3181000000e-02  1.7091000000e-01  3.7787900000e-01  1.3440930000e+00  6.7262200000e-01  9.6763300000e-01 -4.3579400000e-01 -7.1214800000e-01 -9.0377700000e-01 -6.1445500000e-01 -1.6404690000e+00 -1.0538790000e+00 -1.9477700000e-01 -3.7177300000e-01 -1.7653390000e+00
+ENERGY -1.526575744964e+02
+FORCES -4.9540000000e-03 -1.3568100000e-02 -1.4484100000e-02  2.0047000000e-03  4.9992000000e-03  3.7742000000e-03 -2.4360000000e-03 -7.9800000000e-05 -1.0521000000e-03  4.7897000000e-03  7.2489000000e-03  9.0119000000e-03  1.5614000000e-03  5.1193000000e-03 -1.3229000000e-03 -9.6580000000e-04 -3.7194000000e-03  4.0730000000e-03
+
+JOB 2
+COORDS -2.1783600000e-01 -1.1982770000e+00 -3.8199000000e-01 -7.9016600000e-01 -1.2533570000e+00 -1.1472590000e+00  6.3082100000e-01 -1.5124900000e+00 -6.9389100000e-01  2.6005300000e-01  1.2455600000e+00  4.6345000000e-01  9.4854000000e-02  3.4029100000e-01  1.9995800000e-01 -5.7201900000e-01  1.6945860000e+00  3.1424100000e-01
+ENERGY -1.526582606067e+02
+FORCES  2.1515000000e-03  8.7215000000e-03 -1.1027000000e-03  3.5158000000e-03  4.1950000000e-04  3.8996000000e-03 -5.1872000000e-03  3.1589000000e-03  1.5383000000e-03 -6.6046000000e-03 -1.8386500000e-02 -6.0020000000e-03  4.4608000000e-03  8.2066000000e-03  2.2223000000e-03  1.6636000000e-03 -2.1200000000e-03 -5.5560000000e-04
+
+JOB 3
+COORDS  1.1342500000e-01 -1.0778760000e+00  6.1538000000e-01  4.9478400000e-01 -1.8158500000e+00  1.3978400000e-01  3.3991800000e-01 -1.2397640000e+00  1.5311990000e+00 -1.4888200000e-01  1.1427550000e+00 -7.0779000000e-01 -2.9907900000e-01  3.2414700000e-01 -2.3497600000e-01 -4.6592000000e-02  1.8013990000e+00 -2.0799000000e-02
+ENERGY -1.526568438228e+02
+FORCES  1.5635000000e-03  1.0110300000e-02 -5.8190000000e-03 -1.7822000000e-03  2.9959000000e-03  3.9164000000e-03 -5.3000000000e-05 -2.8120000000e-04 -4.7685000000e-03  2.6977000000e-03 -1.4865900000e-02  1.2324900000e-02 -2.2190000000e-03  4.1531000000e-03 -4.6214000000e-03 -2.0690000000e-04 -2.1122000000e-03 -1.0324000000e-03
+
+JOB 4
+COORDS -7.7012000000e-01  4.2838200000e-01 -1.0052390000e+00 -7.9735000000e-02  4.8696800000e-01 -3.4480900000e-01 -4.3444100000e-01  9.2959300000e-01 -1.7484330000e+00  7.1953600000e-01 -3.9368000000e-01  9.8996100000e-01  1.1801660000e+00 -1.1604820000e+00  6.4927700000e-01  1.2272000000e-01 -7.4596600000e-01  1.6502160000e+00
+ENERGY -1.526588299759e+02
+FORCES  8.9389000000e-03 -3.3507000000e-03  1.1989500000e-02 -4.3401000000e-03  4.1631000000e-03 -8.1813000000e-03  1.5328000000e-03 -2.4484000000e-03  3.9088000000e-03 -8.0261000000e-03 -2.7200000000e-03 -7.0822000000e-03 -1.9056000000e-03  3.5857000000e-03  2.2431000000e-03  3.8001000000e-03  7.7030000000e-04 -2.8779000000e-03
+
+JOB 5
+COORDS  2.6336500000e-01  4.4707700000e-01 -1.1662890000e+00 -6.0103500000e-01  6.9524900000e-01 -1.4940910000e+00  8.5774600000e-01  1.0973600000e+00 -1.5405550000e+00 -2.8069500000e-01 -5.6567700000e-01  1.2123380000e+00  1.7501000000e-02 -1.1507900000e-01  4.2222800000e-01 -7.0614000000e-02  3.6735000000e-02  1.9259180000e+00
+ENERGY -1.526594351054e+02
+FORCES -2.1005000000e-03 -8.9300000000e-04  5.6239000000e-03  5.5278000000e-03 -3.3430000000e-04  2.1179000000e-03 -4.2631000000e-03 -2.5890000000e-03  1.3246000000e-03  5.5220000000e-03  7.4584000000e-03 -1.3517200000e-02 -4.7084000000e-03 -3.0015000000e-03  7.7673000000e-03  2.2200000000e-05 -6.4060000000e-04 -3.3165000000e-03
+
+JOB 6
+COORDS -1.0752160000e+00  8.5886000000e-02  7.1578200000e-01 -1.0832390000e+00 -5.5219600000e-01  1.4292370000e+00 -1.7842720000e+00 -1.9301300000e-01  1.3639800000e-01  1.1195910000e+00  1.6138000000e-02 -7.7623000000e-01  5.5068400000e-01  1.6980000000e-03 -6.5770000000e-03  1.6691360000e+00 -7.6203700000e-01 -6.8308700000e-01
+ENERGY -1.526578284236e+02
+FORCES  1.2833000000e-03 -2.6750000000e-03 -7.6812000000e-03  2.5370000000e-03  2.4480000000e-03 -5.2891000000e-03  2.4732000000e-03  7.0290000000e-04  4.8293000000e-03 -1.2391000000e-02  6.6600000000e-05  9.5665000000e-03  9.7082000000e-03 -2.3787000000e-03 -2.8572000000e-03 -3.6106000000e-03  1.8362000000e-03  1.4317000000e-03
+
+JOB 7
+COORDS  7.3732600000e-01 -9.4105200000e-01  6.5023600000e-01  5.9628400000e-01 -1.9311800000e-01  6.9777000000e-02  1.1131640000e+00 -1.6159660000e+00  8.5021000000e-02 -7.0472200000e-01  9.2887000000e-01 -5.3593900000e-01 -5.7959100000e-01  1.0290660000e+00 -1.4796200000e+00 -1.6540920000e+00  9.5194200000e-01 -4.1595000000e-01
+ENERGY -1.526558443249e+02
+FORCES -8.1972000000e-03  9.7039000000e-03 -7.2779000000e-03  7.5488000000e-03 -4.4824000000e-03 -5.3800000000e-05 -2.2065000000e-03  3.4741000000e-03  1.9230000000e-04 -1.9117000000e-03 -7.6250000000e-03  4.6884000000e-03  8.9130000000e-04 -2.6473000000e-03  5.2580000000e-03  3.8753000000e-03  1.5766000000e-03 -2.8069000000e-03
+
+JOB 8
+COORDS  2.2557800000e-01  1.1658780000e+00  4.9960700000e-01 -8.0982000000e-02  2.0725170000e+00  5.1562800000e-01  1.3604500000e-01  8.6624700000e-01  1.4042820000e+00 -1.7049200000e-01 -1.2534050000e+00 -5.2169000000e-01  4.9113000000e-02 -3.2646400000e-01 -4.2796100000e-01 -9.3582300000e-01 -1.2617840000e+00 -1.0965210000e+00
+ENERGY -1.526596239045e+02
+FORCES -3.1452000000e-03 -6.1201000000e-03 -5.9300000000e-05  7.7260000000e-04 -4.4997000000e-03  1.5264000000e-03  3.8660000000e-04  3.2680000000e-03 -4.6898000000e-03  1.5670000000e-04  1.4689200000e-02  2.5643000000e-03 -2.4130000000e-04 -8.3800000000e-03 -1.0674000000e-03  2.0706000000e-03  1.0425000000e-03  1.7258000000e-03
+
+JOB 9
+COORDS  8.3198000000e-02 -1.0115140000e+00 -8.1451500000e-01  4.0339400000e-01 -1.4683890000e+00 -1.5923140000e+00 -8.6204300000e-01 -9.4268400000e-01 -9.4873100000e-01 -5.0800000000e-04  1.0424870000e+00  9.0957700000e-01 -7.6644700000e-01  1.5805570000e+00  7.0945400000e-01 -5.0767000000e-02  3.1388900000e-01  2.9082600000e-01
+ENERGY -1.526552447550e+02
+FORCES  1.8592000000e-03  3.9968000000e-03  4.5420000000e-04 -3.7256000000e-03  1.1815000000e-03  3.3582000000e-03  6.2909000000e-03  3.8780000000e-03  3.0621000000e-03  2.2728000000e-03 -8.4735000000e-03 -9.1200000000e-03  1.7603000000e-03 -3.7104000000e-03 -9.2160000000e-04 -8.4574000000e-03  3.1276000000e-03  3.1671000000e-03
+
+JOB 10
+COORDS  1.8403300000e-01  6.8435000000e-01 -1.0784540000e+00  4.8165100000e-01  6.7848800000e-01 -1.9881900000e+00  5.2251000000e-01  1.5050430000e+00 -7.2050200000e-01 -1.9167600000e-01 -7.8485400000e-01  1.1433480000e+00 -9.4078900000e-01 -2.4134100000e-01  1.3875930000e+00  8.8119000000e-02 -4.4069000000e-01  2.9511700000e-01
+ENERGY -1.526594628201e+02
+FORCES  1.1354000000e-03 -1.6498000000e-03  3.2101000000e-03 -1.1077000000e-03  1.5597000000e-03  4.8335000000e-03 -2.0214000000e-03 -4.7106000000e-03 -2.1557000000e-03 -8.7850000000e-04  8.0008000000e-03 -1.3536700000e-02  2.4154000000e-03 -6.9750000000e-04  1.4210000000e-04  4.5670000000e-04 -2.5027000000e-03  7.5067000000e-03
+
+JOB 11
+COORDS  1.2745660000e+00 -3.9289000000e-02 -5.7133400000e-01  4.0980500000e-01 -1.2213000000e-01 -1.6939300000e-01  1.1357100000e+00  5.3712900000e-01 -1.3227940000e+00 -1.1925510000e+00 -3.2953000000e-02  5.4452700000e-01 -1.3780520000e+00 -2.1084000000e-01  1.4665780000e+00 -1.3760360000e+00  9.0050100000e-01  4.3856500000e-01
+ENERGY -1.526592977674e+02
+FORCES -1.4855100000e-02 -8.9470000000e-04  4.8939000000e-03  8.5730000000e-03  2.8254000000e-03 -4.8040000000e-03 -1.0073000000e-03 -7.9310000000e-04  3.0431000000e-03  4.4361000000e-03  2.0872000000e-03  1.7614000000e-03  3.2370000000e-04  2.0485000000e-03 -4.8114000000e-03  2.5295000000e-03 -5.2733000000e-03 -8.3000000000e-05
+
+JOB 12
+COORDS  7.6975000000e-01 -2.3440100000e-01  1.1225950000e+00  1.3835040000e+00  4.9275000000e-01  1.2264640000e+00  4.9961500000e-01 -1.9127700000e-01  2.0531700000e-01 -7.3059800000e-01  1.8153000000e-01 -1.1142050000e+00 -1.4129390000e+00 -4.5171000000e-01 -8.9138100000e-01 -1.0479470000e+00  1.0114920000e+00 -7.5827800000e-01
+ENERGY -1.526597251344e+02
+FORCES -4.6649000000e-03  2.7630000000e-03 -1.3374100000e-02 -3.1425000000e-03 -1.2840000000e-03 -1.4017000000e-03  4.1956000000e-03 -1.3044000000e-03  9.5160000000e-03 -3.3884000000e-03  6.6850000000e-04  7.5585000000e-03  4.3518000000e-03  3.4320000000e-03 -6.9910000000e-04  2.6483000000e-03 -4.2750000000e-03 -1.5996000000e-03
+
+JOB 13
+COORDS  3.8517700000e-01 -1.2649540000e+00  3.9546800000e-01  1.9421700000e-01 -3.2742300000e-01  4.2377100000e-01  1.2273640000e+00 -1.3519170000e+00  8.4200000000e-01 -3.9716100000e-01  1.1558490000e+00 -3.9451100000e-01 -7.3202100000e-01  1.9339350000e+00  5.1226000000e-02 -4.8515700000e-01  1.3565290000e+00 -1.3262920000e+00
+ENERGY -1.526590954492e+02
+FORCES -2.6180000000e-03  1.2318800000e-02 -3.4213000000e-03  2.9231000000e-03 -6.6785000000e-03  5.1154000000e-03 -2.7608000000e-03  2.1748000000e-03 -1.4831000000e-03  9.9870000000e-04 -5.7029000000e-03 -2.6338000000e-03  2.0098000000e-03 -3.9346000000e-03 -2.4129000000e-03 -5.5270000000e-04  1.8224000000e-03  4.8357000000e-03
+
+JOB 14
+COORDS  7.8900000000e-02  2.2238400000e-01 -1.3684520000e+00 -1.4187600000e-01  2.3661200000e-01 -4.3717000000e-01  2.3014300000e-01  1.1404280000e+00 -1.5932900000e+00 -1.0786900000e-01 -2.2705900000e-01  1.2769470000e+00  8.1849500000e-01 -2.5619600000e-01  1.5161770000e+00 -5.2092500000e-01 -8.8511500000e-01  1.8360350000e+00
+ENERGY -1.526601270638e+02
+FORCES -3.0100000000e-03 -1.1621000000e-03  1.2749500000e-02  3.0698000000e-03  3.6906000000e-03 -8.5369000000e-03 -3.4300000000e-05 -2.7815000000e-03  2.7316000000e-03  1.5044000000e-03 -2.9392000000e-03 -4.9784000000e-03 -5.1573000000e-03  2.8960000000e-04 -6.0530000000e-04  3.6275000000e-03  2.9026000000e-03 -1.3605000000e-03
+
+JOB 15
+COORDS  5.1878700000e-01 -5.8264900000e-01  1.0397080000e+00  4.2021500000e-01 -1.5345470000e+00  1.0598770000e+00  1.4184850000e+00 -4.2838900000e-01  1.3277690000e+00 -5.5651000000e-01  6.9435900000e-01 -1.0663250000e+00 -1.6373900000e-01  9.8010000000e-02 -4.2888400000e-01 -1.1686920000e+00  1.4868300000e-01 -1.5599880000e+00
+ENERGY -1.526591527935e+02
+FORCES  1.2842000000e-03  2.2037000000e-03 -3.0366000000e-03  4.7720000000e-04  5.4350000000e-03 -1.5861000000e-03 -4.7736000000e-03 -2.2657000000e-03 -8.7570000000e-04  5.2304000000e-03 -7.5150000000e-03  1.1635400000e-02 -4.6745000000e-03  2.1997000000e-03 -9.0699000000e-03  2.4563000000e-03 -5.7800000000e-05  2.9329000000e-03
+
+JOB 16
+COORDS -2.4550700000e-01  6.7163900000e-01 -1.1120200000e+00 -4.4755500000e-01  1.5932040000e+00 -1.2736590000e+00  6.8632600000e-01  5.9097800000e-01 -1.3155220000e+00  2.1262400000e-01 -7.0265800000e-01  1.2010070000e+00  4.3847000000e-02 -1.5608200000e-01  4.3354300000e-01  2.1673200000e-01 -1.5977790000e+00  8.6193000000e-01
+ENERGY -1.526592457748e+02
+FORCES  1.4336000000e-03  2.0143000000e-03  2.3466000000e-03  2.1924000000e-03 -4.7609000000e-03 -3.0400000000e-05 -5.8455000000e-03 -7.3480000000e-04  4.4252000000e-03 -5.8129000000e-03  5.4741000000e-03 -1.2152400000e-02  7.2741000000e-03 -5.0631000000e-03  5.3958000000e-03  7.5830000000e-04  3.0703000000e-03  1.5200000000e-05
+
+JOB 17
+COORDS -2.5354100000e-01 -6.5849000000e-01  1.1150870000e+00 -5.5640400000e-01 -4.3456000000e-02  1.7830980000e+00 -9.8272800000e-01 -1.2681740000e+00  1.0019390000e+00  2.9578100000e-01  7.1884700000e-01 -1.1697260000e+00  6.6006600000e-01 -2.5129000000e-02 -1.6493380000e+00  2.0880500000e-01  4.0481500000e-01 -2.6969800000e-01
+ENERGY -1.526593409105e+02
+FORCES -4.1057000000e-03  1.0221000000e-03 -4.4783000000e-03  1.5488000000e-03 -2.3781000000e-03 -5.3571000000e-03  3.6707000000e-03  2.8579000000e-03  1.8213000000e-03 -1.2694000000e-03 -1.1039200000e-02  1.2235900000e-02 -1.5009000000e-03  1.7658000000e-03  6.8150000000e-04  1.6564000000e-03  7.7715000000e-03 -4.9032000000e-03
+
+JOB 18
+COORDS  7.3180300000e-01  8.7371900000e-01  8.3284700000e-01  6.7150900000e-01  1.5324950000e+00  1.4103000000e-01  2.7470300000e-01  1.1102400000e-01  4.7846400000e-01 -7.2843500000e-01 -8.2909600000e-01 -7.3005600000e-01 -2.3069800000e-01 -1.6295350000e+00 -5.6336300000e-01 -7.8543600000e-01 -7.7623300000e-01 -1.6840940000e+00
+ENERGY -1.526569321414e+02
+FORCES -1.0111100000e-02 -5.9611000000e-03 -1.2088500000e-02  1.2364000000e-03 -3.6830000000e-04  2.0061000000e-03  5.6760000000e-03 -2.4827000000e-03  6.3074000000e-03  3.9978000000e-03  2.7123000000e-03 -1.8367000000e-03 -1.0706000000e-03  7.1536000000e-03  9.6020000000e-04  2.7160000000e-04 -1.0537000000e-03  4.6515000000e-03
+
+JOB 19
+COORDS -1.2630810000e+00 -1.3364400000e-01 -6.3028400000e-01 -1.3534270000e+00 -1.0009810000e+00 -2.3557400000e-01 -3.2883200000e-01  6.3960000000e-02 -5.6421300000e-01  1.1654820000e+00  1.2889700000e-01  5.8224500000e-01  1.0520980000e+00  9.8926500000e-01  9.8615400000e-01  2.1138360000e+00  4.8120000000e-03  5.4404400000e-01
+ENERGY -1.526596364134e+02
+FORCES  1.2746700000e-02 -3.1759000000e-03  6.6319000000e-03 -1.2367000000e-03  1.8626000000e-03 -1.5793000000e-03 -6.4779000000e-03  2.8572000000e-03 -3.0564000000e-03 -1.4709000000e-03  1.9208000000e-03  4.7100000000e-04  1.3794000000e-03 -4.5256000000e-03 -3.4173000000e-03 -4.9407000000e-03  1.0607000000e-03  9.5010000000e-04
+
+JOB 20
+COORDS -4.2561900000e-01  6.2107600000e-01 -1.1959340000e+00 -7.4906300000e-01  1.4654470000e+00 -8.8184300000e-01 -1.5800500000e-01  1.5655400000e-01 -4.0294400000e-01  4.2957400000e-01 -6.2095200000e-01  1.0564210000e+00 -3.0556900000e-01 -7.3078600000e-01  1.6595240000e+00  1.1952230000e+00 -9.0152800000e-01  1.5577100000e+00
+ENERGY -1.526593980850e+02
+FORCES  5.7074000000e-03 -4.1261000000e-03  1.1766000000e-02  6.1210000000e-04 -2.8464000000e-03  1.0250000000e-04 -6.2564000000e-03  3.2225000000e-03 -5.0239000000e-03  8.7190000000e-04  1.5853000000e-03 -3.3428000000e-03  4.1303000000e-03  1.4514000000e-03 -3.3018000000e-03 -5.0653000000e-03  7.1330000000e-04 -2.0000000000e-04
+
+JOB 21
+COORDS -3.3394000000e-01  5.5780100000e-01 -1.2343290000e+00 -1.2356800000e-01  1.4770730000e+00 -1.3983850000e+00  1.2744700000e-01  3.4719900000e-01 -4.2254100000e-01  2.6774500000e-01 -5.3471000000e-01  1.1947270000e+00  1.1441190000e+00 -7.3228400000e-01  1.5251300000e+00 -8.8956000000e-02 -1.3848280000e+00  9.3724600000e-01
+ENERGY -1.526606246737e+02
+FORCES  3.4081000000e-03 -2.0467000000e-03  1.2025900000e-02  4.2310000000e-04 -2.9605000000e-03  1.9778000000e-03 -1.3964000000e-03  2.7576000000e-03 -1.0439400000e-02 -1.3743000000e-03 -3.8624000000e-03 -2.0971000000e-03 -4.4063000000e-03  1.2537000000e-03 -2.7680000000e-03  3.3458000000e-03  4.8583000000e-03  1.3008000000e-03
+
+JOB 22
+COORDS  4.7448200000e-01  8.6374500000e-01 -8.8835700000e-01 -2.0153700000e-01  1.5408320000e+00 -9.1634300000e-01  1.2913760000e+00  1.3454490000e+00 -7.5844700000e-01 -5.2382400000e-01 -9.8820300000e-01  8.6390500000e-01 -1.5019500000e-01 -3.2325700000e-01  2.8556300000e-01 -2.2323700000e-01 -7.4176500000e-01  1.7386320000e+00
+ENERGY -1.526602293830e+02
+FORCES -9.2100000000e-05  7.8440000000e-04  2.3335000000e-03  4.2051000000e-03 -4.0273000000e-03  1.6471000000e-03 -4.9467000000e-03 -1.5448000000e-03 -3.2160000000e-04  7.2589000000e-03  9.8343000000e-03 -7.6219000000e-03 -6.1229000000e-03 -5.3301000000e-03  6.9758000000e-03 -3.0240000000e-04  2.8360000000e-04 -3.0128000000e-03
+
+JOB 23
+COORDS -2.6241000000e-02  1.2596670000e+00 -5.4512200000e-01 -5.8494800000e-01  1.1386900000e+00 -1.3128740000e+00 -6.3843300000e-01  1.3571490000e+00  1.8422700000e-01  5.8136000000e-02 -1.3189870000e+00  5.4888000000e-01 -2.6711800000e-01 -4.1958400000e-01  5.8783800000e-01  1.0079070000e+00 -1.2276230000e+00  4.7259800000e-01
+ENERGY -1.526519262225e+02
+FORCES -4.4587000000e-03 -4.0698000000e-03 -2.0404000000e-03  2.6150000000e-03  1.2188000000e-03  4.2600000000e-03  4.8286000000e-03 -8.2719000000e-03 -1.5231000000e-03  5.5201000000e-03  1.2349100000e-02 -6.6969000000e-03 -5.9879000000e-03  1.5068000000e-03  4.6934000000e-03 -2.5171000000e-03 -2.7329000000e-03  1.3070000000e-03
+
+JOB 24
+COORDS -1.8415000000e-01 -1.3805930000e+00  3.5972900000e-01 -2.9016500000e-01 -9.6845900000e-01  1.2171300000e+00 -1.3555100000e-01 -6.4794400000e-01 -2.5435200000e-01  1.4652000000e-01  1.2850880000e+00 -4.0953700000e-01  1.0615760000e+00  1.4399490000e+00 -6.4389100000e-01  5.8447000000e-02  1.6528480000e+00  4.6979700000e-01
+ENERGY -1.526579779178e+02
+FORCES  5.1250000000e-04  1.4653600000e-02 -2.2471000000e-03  4.0880000000e-04 -1.1265000000e-03 -1.0502000000e-03  1.5270000000e-04 -8.3832000000e-03  6.6210000000e-04  3.0683000000e-03 -7.9670000000e-04  4.7693000000e-03 -4.8300000000e-03 -1.4656000000e-03  1.6114000000e-03  6.8770000000e-04 -2.8815000000e-03 -3.7455000000e-03
+
+JOB 25
+COORDS -8.3302400000e-01  8.4822800000e-01 -7.6324900000e-01 -7.6999900000e-01  1.7331390000e+00 -4.0381600000e-01 -2.6055600000e-01  3.2137200000e-01 -2.0563400000e-01  7.3560400000e-01 -8.7553800000e-01  7.0793800000e-01  1.2410540000e+00 -2.7632800000e-01  1.2572100000e+00  1.3949880000e+00 -1.3579580000e+00  2.0922300000e-01
+ENERGY -1.526594741466e+02
+FORCES  7.2348000000e-03 -8.0922000000e-03  7.9938000000e-03  1.3325000000e-03 -3.5694000000e-03  2.7350000000e-04 -4.3610000000e-03  9.6910000000e-03 -4.2482000000e-03  2.6755000000e-03  2.8990000000e-04 -2.6104000000e-03 -3.9954000000e-03 -1.3208000000e-03 -4.8912000000e-03 -2.8864000000e-03  3.0016000000e-03  3.4826000000e-03
+
+JOB 26
+COORDS -9.7975100000e-01 -9.3874400000e-01  3.9587000000e-01 -1.7380070000e+00 -4.4336400000e-01  7.0551200000e-01 -3.1534000000e-01 -2.7342200000e-01  2.1660200000e-01  9.2115900000e-01  8.5643300000e-01 -4.2961900000e-01  1.1762460000e+00  1.6735880000e+00 -1.3440000000e-03  1.7165360000e+00  3.2391800000e-01 -4.2368700000e-01
+ENERGY -1.526603791057e+02
+FORCES  7.3247000000e-03  1.1711100000e-02 -4.1018000000e-03  2.6228000000e-03 -5.3500000000e-04 -7.1400000000e-04 -4.7956000000e-03 -8.4574000000e-03  3.6998000000e-03  9.1920000000e-04 -1.2508000000e-03  2.1163000000e-03 -9.0480000000e-04 -4.4804000000e-03 -2.1857000000e-03 -5.1663000000e-03  3.0125000000e-03  1.1854000000e-03
+
+JOB 27
+COORDS -5.3742500000e-01  3.6632300000e-01  1.1390710000e+00 -1.2805540000e+00  7.7696000000e-02  1.6688690000e+00  7.8277000000e-02  7.3724800000e-01  1.7711770000e+00  5.7335300000e-01 -3.2748500000e-01 -1.2582260000e+00  2.0984200000e-01 -1.1350600000e-01 -3.9897900000e-01  4.7921100000e-01 -1.2774240000e+00 -1.3288340000e+00
+ENERGY -1.526604003736e+02
+FORCES  6.0110000000e-04 -1.6779000000e-03 -1.9896000000e-03  4.3623000000e-03  1.9572000000e-03 -8.8790000000e-04 -3.7909000000e-03 -2.4544000000e-03 -2.8428000000e-03 -6.7010000000e-03  8.0600000000e-04  1.1961000000e-02  5.7945000000e-03 -1.1860000000e-03 -6.9497000000e-03 -2.6610000000e-04  2.5551000000e-03  7.0900000000e-04
+
+JOB 28
+COORDS  7.5099300000e-01  2.8920100000e-01  1.1123800000e+00  3.6204800000e-01  1.0270780000e+00  1.5819430000e+00  1.4168890000e+00  6.8617500000e-01  5.5092900000e-01 -8.0628500000e-01 -4.0547000000e-01 -1.1331680000e+00 -3.0365600000e-01 -4.1975200000e-01 -3.1867900000e-01 -6.1992300000e-01  4.5218600000e-01 -1.5151710000e+00
+ENERGY -1.526588914422e+02
+FORCES -7.0550000000e-04  4.5814000000e-03 -8.5600000000e-04  2.6620000000e-03 -3.1524000000e-03 -3.1943000000e-03 -5.5921000000e-03 -2.0607000000e-03  1.2737000000e-03  6.7421000000e-03  4.9437000000e-03  1.0494800000e-02 -3.2148000000e-03 -2.2438000000e-03 -8.7384000000e-03  1.0830000000e-04 -2.0681000000e-03  1.0203000000e-03
+
+JOB 29
+COORDS -4.7302300000e-01 -1.0531910000e+00 -7.2368700000e-01 -4.2466700000e-01 -8.8429800000e-01 -1.6646270000e+00 -1.4047820000e+00 -1.1893480000e+00 -5.5187600000e-01  5.4166700000e-01  1.0598300000e+00  8.2824700000e-01  6.6774600000e-01  1.6412200000e+00  7.8366000000e-02  1.0698000000e-02  3.4007700000e-01  4.8728000000e-01
+ENERGY -1.526587662257e+02
+FORCES -3.1180000000e-04  1.3078000000e-03 -3.5495000000e-03 -1.0223000000e-03 -6.1710000000e-04  4.7985000000e-03  5.5815000000e-03  2.7664000000e-03 -1.5700000000e-05 -3.7346000000e-03 -8.8549000000e-03 -9.9964000000e-03 -1.9380000000e-04 -1.2334000000e-03  1.8874000000e-03 -3.1910000000e-04  6.6312000000e-03  6.8757000000e-03
+
+JOB 30
+COORDS  1.7393300000e-01  1.0814830000e+00  8.5456500000e-01  2.5356200000e-01  1.6855990000e+00  1.1636900000e-01 -7.4353200000e-01  1.1461660000e+00  1.1197190000e+00 -1.5687400000e-01 -1.1497800000e+00 -8.8364800000e-01  6.1997300000e-01 -1.4615010000e+00 -4.1935200000e-01 -4.3256900000e-01 -3.7361000000e-01 -3.9601600000e-01
+ENERGY -1.526569742759e+02
+FORCES -7.2090000000e-04  3.1703000000e-03 -1.4663000000e-03 -1.7797000000e-03 -5.1802000000e-03  3.2773000000e-03  4.7266000000e-03 -3.3458000000e-03 -4.6323000000e-03  5.4622000000e-03  8.0481000000e-03  1.0788600000e-02 -1.9624000000e-03 -1.1994000000e-03 -2.8887000000e-03 -5.7258000000e-03 -1.4929000000e-03 -5.0786000000e-03
+
+JOB 31
+COORDS  1.2653500000e-01 -8.5352000000e-01 -1.1393550000e+00 -1.7889700000e-01 -2.1015200000e-01 -4.9980700000e-01  2.4528500000e-01 -3.5223700000e-01 -1.9461050000e+00 -1.2924300000e-01  7.4157100000e-01  1.1133420000e+00  6.3300000000e-02  7.0173800000e-01  2.0501300000e+00 -7.3249000000e-02  1.6721300000e+00  8.9618500000e-01
+ENERGY -1.526583738729e+02
+FORCES -7.7170000000e-04  6.6058000000e-03  8.2151000000e-03 -4.3920000000e-04 -1.6651000000e-03 -9.1605000000e-03 -4.7330000000e-04 -1.2550000000e-04  3.6761000000e-03  2.8235000000e-03 -2.1531000000e-03  1.2392000000e-03 -8.3370000000e-04  2.5044000000e-03 -3.8714000000e-03 -3.0570000000e-04 -5.1664000000e-03 -9.8500000000e-05
+
+JOB 32
+COORDS -7.3222600000e-01 -8.3550800000e-01  9.0507100000e-01 -3.5503400000e-01 -3.0848400000e-01  2.0065300000e-01 -1.6529630000e+00 -9.3558100000e-01  6.6328300000e-01  6.9834400000e-01  8.0919200000e-01 -8.5184100000e-01  1.3113260000e+00  1.9713500000e-01 -1.2591160000e+00  1.2563530000e+00  1.4557420000e+00 -4.1960200000e-01
+ENERGY -1.526616792841e+02
+FORCES  3.4977000000e-03  7.9382000000e-03 -8.0311000000e-03 -4.9244000000e-03 -8.6193000000e-03  5.3400000000e-03  3.2050000000e-03  9.4710000000e-04 -2.6130000000e-04  3.7866000000e-03  3.3580000000e-04  3.0732000000e-03 -3.7756000000e-03  2.7864000000e-03  3.1059000000e-03 -1.7893000000e-03 -3.3882000000e-03 -3.2268000000e-03
+
+JOB 33
+COORDS  7.6450500000e-01 -3.1135400000e-01 -1.0879280000e+00  9.6812000000e-01 -1.2421080000e+00 -1.1799530000e+00  1.6125810000e+00  1.0606300000e-01 -9.3705300000e-01 -8.8244400000e-01  3.4366500000e-01  1.0743120000e+00 -2.2888100000e-01  7.7087000000e-02  4.2776500000e-01 -3.7758000000e-01  5.1509100000e-01  1.8692690000e+00
+ENERGY -1.526601283841e+02
+FORCES  2.2759000000e-03 -1.6731000000e-03 -6.2500000000e-04 -4.7380000000e-04  5.4034000000e-03  1.2859000000e-03 -5.1656000000e-03 -2.7661000000e-03  1.2125000000e-03  7.9336000000e-03 -2.8059000000e-03 -8.6519000000e-03 -4.4658000000e-03  2.6141000000e-03  1.0382700000e-02 -1.0430000000e-04 -7.7240000000e-04 -3.6041000000e-03
+
+JOB 34
+COORDS  7.4438000000e-02  1.0139390000e+00 -8.9005300000e-01  7.8379400000e-01  1.0852330000e+00 -1.5287720000e+00  5.4068000000e-02  1.8677020000e+00 -4.5772800000e-01 -6.6823000000e-02 -1.1162510000e+00  8.9487600000e-01 -7.8046000000e-01 -1.0430230000e+00  1.5285900000e+00 -1.3160600000e-01 -3.2011000000e-01  3.6743500000e-01
+ENERGY -1.526606586187e+02
+FORCES  4.2715000000e-03 -7.0090000000e-04 -2.1200000000e-04 -3.7021000000e-03  1.6349000000e-03  2.9622000000e-03  1.0050000000e-04 -5.0273000000e-03 -1.5010000000e-03 -1.0246000000e-03  8.7977000000e-03 -7.5108000000e-03  2.1552000000e-03  1.5634000000e-03 -2.5033000000e-03 -1.8004000000e-03 -6.2679000000e-03  8.7650000000e-03
+
+JOB 35
+COORDS -9.1757000000e-02 -5.0036400000e-01 -1.2594610000e+00 -8.8845300000e-01 -1.0206710000e+00 -1.1555930000e+00 -2.1830800000e-01 -2.9529000000e-02 -2.0831910000e+00  1.5956200000e-01  5.6969600000e-01  1.3109360000e+00  5.5527800000e-01 -5.6730000000e-02  7.0494100000e-01 -5.2991800000e-01  7.3772000000e-02  1.7524200000e+00
+ENERGY -1.526555000123e+02
+FORCES -4.0407000000e-03  4.6922000000e-03  8.8280000000e-04  3.7802000000e-03  1.9056000000e-03  4.4000000000e-04 -3.1480000000e-04 -2.8170000000e-03  3.0355000000e-03 -1.7490000000e-03 -5.8704000000e-03 -9.6954000000e-03  6.2110000000e-04  7.5780000000e-04  7.3888000000e-03  1.7032000000e-03  1.3317000000e-03 -2.0517000000e-03
+
+JOB 36
+COORDS  6.5584000000e-01  7.5029600000e-01  1.0124700000e+00  1.0557500000e-01  3.1705000000e-02  7.0091300000e-01  3.8313300000e-01  8.8531900000e-01  1.9200120000e+00 -5.7127100000e-01 -7.6599800000e-01 -1.0062530000e+00 -1.4974400000e+00 -5.4214300000e-01 -9.1497600000e-01 -2.6691800000e-01 -2.3335600000e-01 -1.7410280000e+00
+ENERGY -1.526595676834e+02
+FORCES -3.8592000000e-03 -6.6763000000e-03 -4.7536000000e-03  1.6825000000e-03  6.0885000000e-03  8.4854000000e-03 -8.1910000000e-04 -1.6372000000e-03 -4.1040000000e-03  6.3060000000e-04  6.0851000000e-03 -3.9254000000e-03  5.1727000000e-03 -4.9640000000e-04  1.6917000000e-03 -2.8075000000e-03 -3.3637000000e-03  2.6060000000e-03
+
+JOB 37
+COORDS -6.0832500000e-01 -1.1880800000e+00  2.1952900000e-01 -1.3911420000e+00 -1.7316900000e+00  1.3053900000e-01  1.1887400000e-01 -1.7824520000e+00  3.4773000000e-02  6.3007900000e-01  1.2733740000e+00 -2.6739200000e-01  8.6632200000e-01  1.7469110000e+00  5.3022000000e-01  8.9149000000e-02  5.4484100000e-01  3.7346000000e-02
+ENERGY -1.526614162190e+02
+FORCES  2.8660000000e-04 -9.7420000000e-04 -2.5567000000e-03  4.5421000000e-03  7.4820000000e-04  3.7700000000e-04 -4.4371000000e-03  2.4104000000e-03  1.2841000000e-03 -5.8299000000e-03 -7.1365000000e-03  3.8322000000e-03 -1.0749000000e-03 -2.3590000000e-03 -2.0625000000e-03  6.5132000000e-03  7.3111000000e-03 -8.7390000000e-04
+
+JOB 38
+COORDS  4.4372700000e-01  1.1895630000e+00  4.8796500000e-01  1.3854150000e+00  1.1040220000e+00  6.3675200000e-01  1.3411300000e-01  1.7303620000e+00  1.2145380000e+00 -5.3643200000e-01 -1.2024680000e+00 -5.7542800000e-01 -1.0986600000e-01 -2.0502830000e+00 -4.5100100000e-01 -1.1999000000e-02 -5.9166300000e-01 -5.7626000000e-02
+ENERGY -1.526587872132e+02
+FORCES -8.6350000000e-04  2.3996000000e-03  2.4344000000e-03 -5.7672000000e-03 -2.1994000000e-03 -5.3260000000e-04  2.8424000000e-03 -1.9833000000e-03 -3.5419000000e-03  3.4251000000e-03  7.6282000000e-03  4.5680000000e-03 -8.7900000000e-05  4.2065000000e-03  5.2400000000e-04  4.5110000000e-04 -1.0051600000e-02 -3.4519000000e-03
+
+JOB 39
+COORDS -1.4200980000e+00  4.4480000000e-03 -2.2176400000e-01 -5.6393500000e-01  1.6326400000e-01  1.7572100000e-01 -2.0454730000e+00  1.5553300000e-01  4.8697500000e-01  1.3806840000e+00  1.4568000000e-02  2.0320100000e-01  1.7030140000e+00  3.1425300000e-01 -6.4681300000e-01  1.5257660000e+00 -9.3153700000e-01  1.9490300000e-01
+ENERGY -1.526618084771e+02
+FORCES  8.9176000000e-03  1.6075000000e-03  3.8539000000e-03 -1.1183400000e-02 -7.9190000000e-04 -1.5401000000e-03  3.4856000000e-03 -5.9300000000e-04 -1.4813000000e-03  1.0542000000e-03 -3.2475000000e-03 -5.2587000000e-03 -1.3898000000e-03 -1.9682000000e-03  4.3875000000e-03 -8.8430000000e-04  4.9930000000e-03  3.8700000000e-05
+
+JOB 40
+COORDS  4.0907800000e-01 -1.2806970000e+00  1.9525300000e-01  1.3432130000e+00 -1.1714970000e+00  3.7329400000e-01  2.7171200000e-01 -2.2279200000e+00  2.0670700000e-01 -4.5045400000e-01  1.3544420000e+00 -2.6254800000e-01 -6.6308200000e-01  1.7931270000e+00  5.6120900000e-01 -3.0113500000e-01  4.4148700000e-01 -1.6684000000e-02
+ENERGY -1.526610844515e+02
+FORCES  9.1510000000e-04 -8.7330000000e-04 -1.0020000000e-03 -5.0526000000e-03 -1.2064000000e-03 -2.7540000000e-04  2.6378000000e-03  3.8488000000e-03  3.9720000000e-04  6.5450000000e-04 -9.2867000000e-03  3.4132000000e-03  1.1870000000e-03 -2.0626000000e-03 -2.1686000000e-03 -3.4180000000e-04  9.5802000000e-03 -3.6430000000e-04
+
+JOB 41
+COORDS -3.5221700000e-01 -5.0493900000e-01  1.2144030000e+00  2.5279900000e-01 -2.6589500000e-01  1.9165740000e+00 -1.1726100000e+00 -7.0867300000e-01  1.6634910000e+00  3.4623800000e-01  5.0475700000e-01 -1.3408040000e+00  1.1484460000e+00  8.7859300000e-01 -9.7619300000e-01 -9.8356000000e-02  1.1177200000e-01 -5.8971800000e-01
+ENERGY -1.526599728500e+02
+FORCES  5.8540000000e-04  1.4685000000e-03  1.6691000000e-03 -3.3413000000e-03 -1.1737000000e-03 -2.8563000000e-03  4.4391000000e-03  1.1283000000e-03 -1.4397000000e-03 -9.3970000000e-04 -3.3741000000e-03  1.1904200000e-02 -1.6637000000e-03 -7.1310000000e-04 -1.1070000000e-03  9.2020000000e-04  2.6641000000e-03 -8.1702000000e-03
+
+JOB 42
+COORDS -1.6995900000e-01 -1.4493450000e+00 -2.9316500000e-01 -4.6330000000e-01 -1.4874850000e+00  6.1718000000e-01  3.2711000000e-02 -5.2568200000e-01 -4.4150000000e-01  1.6515600000e-01  1.3762770000e+00  1.8464300000e-01  9.6814000000e-01  1.3958940000e+00  7.0528000000e-01 -5.0230400000e-01  1.7520370000e+00  7.5869300000e-01
+ENERGY -1.526596784157e+02
+FORCES -4.4370000000e-04  1.1768400000e-02  3.9685000000e-03  7.1850000000e-04 -8.8470000000e-04 -1.9479000000e-03  1.2503000000e-03 -8.5200000000e-03 -2.0704000000e-03 -7.2020000000e-04  8.2910000000e-04  4.2455000000e-03 -4.7415000000e-03 -1.1339000000e-03 -2.3379000000e-03  3.9366000000e-03 -2.0589000000e-03 -1.8580000000e-03
+
+JOB 43
+COORDS -4.6104400000e-01  1.2089570000e+00  6.4270500000e-01 -4.9239800000e-01  1.4018060000e+00  1.5797520000e+00 -2.9373800000e-01  2.6760600000e-01  5.9688900000e-01  4.9686500000e-01 -1.1127070000e+00 -6.8313800000e-01 -8.6387000000e-02 -1.2340750000e+00 -1.4323500000e+00  3.5148400000e-01 -1.8860170000e+00 -1.3807900000e-01
+ENERGY -1.526578139009e+02
+FORCES  4.0240000000e-03 -7.1882000000e-03 -2.3072000000e-03  7.3710000000e-04 -2.5637000000e-03 -3.4230000000e-03 -5.1503000000e-03  5.4890000000e-03  6.7728000000e-03 -1.8378000000e-03 -1.9625000000e-03 -4.6775000000e-03  2.9376000000e-03 -2.3200000000e-04  4.3164000000e-03 -7.1060000000e-04  6.4573000000e-03 -6.8140000000e-04
+
+JOB 44
+COORDS  1.0702120000e+00  1.2739500000e-01  1.0201500000e+00  1.5719320000e+00  8.5955700000e-01  6.6175500000e-01  4.2193200000e-01 -7.2647000000e-02  3.4491100000e-01 -9.9620000000e-01 -1.5499000000e-01 -9.7625300000e-01 -1.6643110000e+00 -7.6960700000e-01 -1.2797390000e+00 -1.4217950000e+00  3.3346700000e-01 -2.7161800000e-01
+ENERGY -1.526596976832e+02
+FORCES -2.5414000000e-03 -1.0336000000e-03 -9.2687000000e-03 -2.1642000000e-03 -2.0279000000e-03  1.3593000000e-03  1.1307000000e-03  5.0171000000e-03  8.5173000000e-03 -4.5266000000e-03 -1.9294000000e-03  4.0650000000e-04  2.1046000000e-03  3.9897000000e-03  1.5975000000e-03  5.9969000000e-03 -4.0159000000e-03 -2.6120000000e-03
+
+JOB 45
+COORDS -9.9684200000e-01 -9.7051800000e-01 -1.0930200000e-01 -1.6996550000e+00 -1.2845140000e+00  4.5963700000e-01 -1.4487000000e+00 -6.0958800000e-01 -8.7205000000e-01  1.1348550000e+00  9.5562600000e-01  1.1217200000e-01  7.2034000000e-01  1.7526070000e+00  4.4267200000e-01  4.0658100000e-01  3.5625900000e-01 -5.0951000000e-02
+ENERGY -1.526596799339e+02
+FORCES -3.6702000000e-03 -1.0898000000e-03  1.8964000000e-03  2.2165000000e-03  1.3736000000e-03 -4.0058000000e-03  3.7006000000e-03  1.3420000000e-04  5.1142000000e-03 -8.5546000000e-03 -5.4568000000e-03  1.9308000000e-03  7.7260000000e-04 -2.5633000000e-03 -1.2705000000e-03  5.5351000000e-03  7.6021000000e-03 -3.6651000000e-03
+
+JOB 46
+COORDS -1.4608100000e-01 -1.0181280000e+00  1.0664990000e+00  4.2319500000e-01 -8.1051300000e-01  1.8074800000e+00  1.0915000000e-02 -3.1314700000e-01  4.3833900000e-01  6.8727000000e-02  9.2960200000e-01 -1.0295260000e+00  3.4361300000e-01  6.8833200000e-01 -1.9140920000e+00  4.3116900000e-01  1.8054230000e+00 -8.9608600000e-01
+ENERGY -1.526612237059e+02
+FORCES  2.1062000000e-03  7.6335000000e-03 -5.9742000000e-03 -1.5241000000e-03  3.4500000000e-04 -2.7655000000e-03 -1.0860000000e-04 -6.6550000000e-03  8.4270000000e-03  1.6456000000e-03  6.6930000000e-04 -2.9408000000e-03 -9.7260000000e-04  2.6176000000e-03  4.0689000000e-03 -1.1465000000e-03 -4.6105000000e-03 -8.1540000000e-04
+
+JOB 47
+COORDS -2.2569200000e-01  1.4979970000e+00 -1.8948000000e-02  6.1109600000e-01  1.3207500000e+00  4.1070300000e-01 -6.1889300000e-01  6.3430700000e-01 -1.4410900000e-01  2.0904000000e-01 -1.3840720000e+00  4.3229000000e-02  7.0351900000e-01 -1.5858030000e+00 -7.5114300000e-01 -4.1729200000e-01 -2.1032560000e+00  1.2516800000e-01
+ENERGY -1.526594323728e+02
+FORCES  3.1931000000e-03 -1.1468200000e-02  2.7239000000e-03 -1.2333000000e-03  3.1977000000e-03 -1.6171000000e-03 -2.8936000000e-03  6.5039000000e-03 -1.6230000000e-03  1.1225000000e-03 -3.4921000000e-03 -2.4574000000e-03 -2.7196000000e-03  1.0372000000e-03  4.1138000000e-03  2.5309000000e-03  4.2214000000e-03 -1.1402000000e-03
+
+JOB 48
+COORDS  3.1076100000e-01 -1.3236630000e+00 -3.1322100000e-01  1.1940820000e+00 -1.6266340000e+00 -5.2342400000e-01 -2.5776500000e-01 -1.8071660000e+00 -9.1258300000e-01 -2.9795500000e-01  1.4271030000e+00  3.9943800000e-01  1.3751200000e-01  6.2762400000e-01  1.0374700000e-01 -1.2019060000e+00  1.3331960000e+00  9.8963000000e-02
+ENERGY -1.526600431250e+02
+FORCES -2.6820000000e-04 -2.7798000000e-03 -2.6065000000e-03 -4.6570000000e-03  1.9608000000e-03  6.7660000000e-04  3.0943000000e-03  2.0187000000e-03  2.7818000000e-03 -7.1520000000e-04 -1.1052000000e-02 -3.3629000000e-03  4.7720000000e-04  8.9341000000e-03  1.7928000000e-03  2.0689000000e-03  9.1820000000e-04  7.1820000000e-04
+
+JOB 49
+COORDS -6.1245600000e-01  1.2060570000e+00 -3.9459000000e-01 -8.9666300000e-01  1.8762760000e+00  2.2691200000e-01  4.5277000000e-02  1.6435230000e+00 -9.3518500000e-01  5.5768100000e-01 -1.3330050000e+00  4.1826600000e-01  1.3208980000e+00 -1.2836610000e+00 -1.5731700000e-01  2.9671100000e-01 -4.2146100000e-01  5.4946900000e-01
+ENERGY -1.526579263609e+02
+FORCES  2.0200000000e-05  4.1724000000e-03 -2.4322000000e-03  2.4365000000e-03 -4.3437000000e-03 -2.5020000000e-03 -2.5216000000e-03 -2.8077000000e-03  3.5302000000e-03 -2.5453000000e-03  9.4824000000e-03 -4.6164000000e-03 -2.1061000000e-03 -1.1100000000e-05  1.6179000000e-03  4.7162000000e-03 -6.4923000000e-03  4.4025000000e-03
+
+JOB 50
+COORDS  7.1658600000e-01  1.1266000000e+00  6.3523700000e-01  7.1814000000e-02  4.2767800000e-01  5.2564900000e-01  4.3260400000e-01  1.5940860000e+00  1.4207580000e+00 -6.1901600000e-01 -1.1142350000e+00 -6.2177000000e-01 -4.7717500000e-01 -1.4101040000e+00 -1.5209780000e+00 -1.5213140000e+00 -7.9482200000e-01 -6.1373200000e-01
+ENERGY -1.526583579498e+02
+FORCES -3.2724000000e-03 -6.3287000000e-03 -1.3393000000e-03  9.7500000000e-05  8.2596000000e-03  5.3031000000e-03 -3.9550000000e-04 -2.6855000000e-03 -3.2790000000e-03  3.3890000000e-04  1.3340000000e-04 -6.3296000000e-03 -2.3644000000e-03  3.4870000000e-04  3.8576000000e-03  5.5959000000e-03  2.7250000000e-04  1.7872000000e-03
+
+JOB 51
+COORDS -6.8182800000e-01  7.3197200000e-01 -1.1453090000e+00 -1.4153080000e+00  1.1877100000e-01 -1.1924690000e+00 -1.0269300000e-01  3.6258900000e-01 -4.7868300000e-01  7.1433500000e-01 -6.0856700000e-01  1.0949200000e+00 -1.2997500000e-01 -8.6475400000e-01  1.4660550000e+00  1.1690230000e+00 -1.4363180000e+00  9.3897500000e-01
+ENERGY -1.526599864174e+02
+FORCES  4.0693000000e-03 -5.8478000000e-03  6.5543000000e-03  2.2309000000e-03  1.6131000000e-03  9.7330000000e-04 -6.8057000000e-03  3.8980000000e-03 -6.8123000000e-03 -1.3090000000e-04 -5.0397000000e-03  2.6375000000e-03  3.7703000000e-03  1.4578000000e-03 -4.2819000000e-03 -3.1339000000e-03  3.9186000000e-03  9.2890000000e-04
+
+JOB 52
+COORDS  3.5813700000e-01  1.4791910000e+00 -5.1578000000e-02  2.3070900000e-01  5.3174100000e-01 -9.9868000000e-02 -4.1459600000e-01  1.8474120000e+00 -4.7998100000e-01 -2.6806800000e-01 -1.4076250000e+00  3.4075000000e-02 -1.2006380000e+00 -1.3138250000e+00  2.2835700000e-01  1.9272000000e-02 -2.1371300000e+00  5.8315700000e-01
+ENERGY -1.526605043549e+02
+FORCES -2.3608000000e-03 -8.2944000000e-03 -1.6551000000e-03 -5.8660000000e-04  1.0312500000e-02 -5.0670000000e-04  1.7803000000e-03 -1.9926000000e-03  1.8277000000e-03 -1.1159000000e-03 -3.4755000000e-03  4.1784000000e-03  5.0113000000e-03  7.6270000000e-04 -1.2321000000e-03 -2.7283000000e-03  2.6873000000e-03 -2.6121000000e-03
+
+JOB 53
+COORDS -6.7426900000e-01  1.3192660000e+00  3.6593000000e-02 -5.6844400000e-01  1.5325270000e+00  9.6371400000e-01 -8.2010000000e-03  1.8437260000e+00 -4.0784600000e-01  6.1022600000e-01 -1.4200000000e+00 -3.4424000000e-02  1.0338800000e-01 -6.2796300000e-01 -2.1337700000e-01  1.4503040000e+00 -1.2704530000e+00 -4.6817100000e-01
+ENERGY -1.526602564244e+02
+FORCES  2.0791000000e-03  5.0527000000e-03  4.1052000000e-03 -2.3900000000e-04 -5.0880000000e-04 -5.0930000000e-03 -2.3815000000e-03 -4.1919000000e-03  2.0799000000e-03 -2.4297000000e-03  7.9264000000e-03 -2.0814000000e-03  5.7539000000e-03 -8.6207000000e-03 -5.2070000000e-04 -2.7828000000e-03  3.4230000000e-04  1.5100000000e-03
+
+JOB 54
+COORDS -1.0507380000e+00  6.5408600000e-01  9.1695700000e-01 -5.7870800000e-01  1.2389510000e+00  1.5097080000e+00 -3.6591600000e-01  2.4409100000e-01  3.8860600000e-01  9.6714800000e-01 -5.9479100000e-01 -9.1251000000e-01  4.5486600000e-01 -1.2872850000e+00 -1.3299440000e+00  1.7749130000e+00 -1.0274280000e+00 -6.3579400000e-01
+ENERGY -1.526615127940e+02
+FORCES  8.3292000000e-03 -1.1766000000e-03 -3.8525000000e-03 -1.1788000000e-03 -2.0169000000e-03 -1.6396000000e-03 -8.1888000000e-03  2.9282000000e-03  5.9631000000e-03  2.3220000000e-03 -5.0770000000e-03 -1.8754000000e-03  2.6963000000e-03  3.5438000000e-03  3.0250000000e-03 -3.9800000000e-03  1.7984000000e-03 -1.6206000000e-03
+
+JOB 55
+COORDS -7.9271000000e-01 -1.1872240000e+00 -5.6746000000e-01 -4.8926900000e-01 -4.6938600000e-01 -1.1705000000e-02 -1.0295720000e+00 -1.8823930000e+00  4.6436000000e-02  7.6719700000e-01  1.1459860000e+00  5.5463400000e-01  1.5030680000e+00  1.0233270000e+00 -4.5100000000e-02  3.8733800000e-01  1.9867630000e+00  2.9961900000e-01
+ENERGY -1.526618147307e+02
+FORCES  2.6413000000e-03  4.1755000000e-03  6.0625000000e-03 -5.2525000000e-03 -7.8896000000e-03 -4.6759000000e-03  1.0791000000e-03  2.6860000000e-03 -1.6742000000e-03  3.6811000000e-03  4.3061000000e-03 -3.7582000000e-03 -3.9303000000e-03  1.0894000000e-03  3.1155000000e-03  1.7814000000e-03 -4.3674000000e-03  9.3020000000e-04
+
+JOB 56
+COORDS  3.9933600000e-01  5.5372600000e-01  1.3074070000e+00  1.2522480000e+00  1.3299500000e-01  1.4158460000e+00 -7.2300000000e-04  5.1258800000e-01  2.1760220000e+00 -4.1162100000e-01 -5.9273600000e-01 -1.3723850000e+00  2.1743000000e-02 -1.8731000000e-02 -7.4076400000e-01 -1.0601730000e+00 -3.3186000000e-02 -1.7996040000e+00
+ENERGY -1.526593484731e+02
+FORCES -7.5600000000e-04 -3.0066000000e-03  5.2879000000e-03 -4.3508000000e-03  2.0124000000e-03 -1.5959000000e-03  2.9422000000e-03  5.0020000000e-04 -2.8680000000e-03 -6.7780000000e-04  5.9470000000e-03  5.7898000000e-03  9.1770000000e-04 -3.5322000000e-03 -8.0454000000e-03  1.9247000000e-03 -1.9209000000e-03  1.4316000000e-03
+
+JOB 57
+COORDS  6.7366100000e-01  1.3139130000e+00  1.3375500000e-01  3.5043100000e-01  1.8628340000e+00 -5.8069600000e-01  1.6201720000e+00  1.2743820000e+00 -3.3080000000e-03 -7.0093200000e-01 -1.3926500000e+00 -1.2619800000e-01 -1.2055900000e+00 -1.4231710000e+00  6.8658800000e-01 -3.6805900000e-01 -4.9619000000e-01 -1.6848200000e-01
+ENERGY -1.526612757899e+02
+FORCES  5.1178000000e-03  3.5550000000e-03 -2.0931000000e-03  1.2254000000e-03 -4.1585000000e-03  3.2899000000e-03 -4.7904000000e-03  9.8690000000e-04  2.3330000000e-04  2.4779000000e-03  7.8639000000e-03  4.1683000000e-03  1.3197000000e-03 -2.0200000000e-04 -2.6565000000e-03 -5.3504000000e-03 -8.0453000000e-03 -2.9419000000e-03
+
+JOB 58
+COORDS  1.1396280000e+00 -1.0603290000e+00 -6.5713000000e-02  6.7721500000e-01 -1.0383100000e+00  7.7209400000e-01  4.9928900000e-01 -1.4122170000e+00 -6.8407600000e-01 -1.0674830000e+00  1.1370170000e+00  8.9631000000e-02 -7.1286500000e-01  9.4805100000e-01 -7.7914400000e-01 -1.5473360000e+00  3.4459100000e-01  3.3053600000e-01
+ENERGY -1.526523325117e+02
+FORCES -4.9971000000e-03  9.6120000000e-04  2.9740000000e-03  1.3043000000e-03 -2.1123000000e-03 -3.6936000000e-03  1.5113000000e-03  3.1026000000e-03  2.0446000000e-03  2.7794000000e-03 -4.3877000000e-03 -3.6717000000e-03 -3.6682000000e-03  5.0680000000e-04  2.6646000000e-03  3.0704000000e-03  1.9294000000e-03 -3.1790000000e-04
+
+JOB 59
+COORDS  8.3732800000e-01  4.7331400000e-01 -1.1851850000e+00  1.6197840000e+00 -7.7382000000e-02 -1.1581900000e+00  9.5641700000e-01  1.0948610000e+00 -4.6704200000e-01 -8.4392600000e-01 -5.1609900000e-01  1.1675590000e+00 -9.3033500000e-01 -1.5327300000e-01  2.8601400000e-01 -1.6148740000e+00 -1.9553300000e-01  1.6356490000e+00
+ENERGY -1.526589249130e+02
+FORCES  6.1044000000e-03 -1.1083000000e-03  4.1070000000e-03 -2.7192000000e-03  3.0683000000e-03 -7.9400000000e-04 -2.2002000000e-03 -2.5073000000e-03 -3.8559000000e-03 -2.1730000000e-03  1.1114000000e-03 -4.6761000000e-03 -2.4184000000e-03 -1.4710000000e-04  7.7438000000e-03  3.4064000000e-03 -4.1710000000e-04 -2.5248000000e-03
+
+JOB 60
+COORDS -2.6369000000e-02  1.2437390000e+00  9.8017100000e-01  1.4906100000e-01  4.8623300000e-01  4.2192300000e-01 -3.7081500000e-01  8.6960100000e-01  1.7911020000e+00  4.8158000000e-02 -1.1147680000e+00 -9.5862400000e-01 -6.7368900000e-01 -1.2941090000e+00 -1.5611220000e+00  5.8828500000e-01 -1.9044170000e+00 -9.8942400000e-01
+ENERGY -1.526612353618e+02
+FORCES -5.6130000000e-04 -7.6241000000e-03 -2.5995000000e-03  2.3070000000e-04  7.3043000000e-03  6.3361000000e-03  1.0822000000e-03  1.2171000000e-03 -2.4055000000e-03 -1.4675000000e-03 -3.5387000000e-03 -3.6573000000e-03  3.8049000000e-03 -5.7690000000e-04  2.4477000000e-03 -3.0890000000e-03  3.2183000000e-03 -1.2150000000e-04
+
+JOB 61
+COORDS -7.4823200000e-01  1.3278390000e+00 -1.9076800000e-01  2.0025000000e-02  1.8414600000e+00  5.8643000000e-02 -1.4098770000e+00  1.5525960000e+00  4.6340500000e-01  7.8947600000e-01 -1.4033950000e+00  1.8429600000e-01  3.9532000000e-01 -1.7571200000e+00 -6.1304400000e-01  4.4483900000e-01 -5.1263700000e-01  2.4759800000e-01
+ENERGY -1.526598660671e+02
+FORCES -2.3657000000e-03  5.9672000000e-03  2.6298000000e-03 -3.3454000000e-03 -5.0309000000e-03 -4.2920000000e-04  3.6465000000e-03 -9.0810000000e-04 -3.1100000000e-03 -6.2640000000e-03  5.2521000000e-03 -4.2413000000e-03  1.9010000000e-03 -4.4900000000e-05  2.6841000000e-03  6.4275000000e-03 -5.2355000000e-03  2.4665000000e-03
+
+JOB 62
+COORDS  1.1122840000e+00  2.8239000000e-01 -1.0279170000e+00  9.9380400000e-01  1.1517950000e+00 -6.4538900000e-01  1.2629070000e+00  4.4815900000e-01 -1.9585440000e+00 -1.1747220000e+00 -3.6063400000e-01  1.0661840000e+00 -4.0348000000e-01 -8.8018200000e-01  1.2930920000e+00 -8.2011300000e-01  4.7346100000e-01  7.5833600000e-01
+ENERGY -1.526536548855e+02
+FORCES  1.2830000000e-04  3.5942000000e-03 -4.1854000000e-03 -1.7008000000e-03 -4.6989000000e-03  4.2630000000e-04 -4.8260000000e-04 -5.6020000000e-04  4.2408000000e-03  7.3197000000e-03 -1.9800000000e-04 -4.2431000000e-03 -3.9422000000e-03  1.7784000000e-03  1.4272000000e-03 -1.3224000000e-03  8.4500000000e-05  2.3343000000e-03
+
+JOB 63
+COORDS -7.5974600000e-01 -1.1877250000e+00  8.5683000000e-01 -6.1945000000e-02 -1.2963580000e+00  2.1068400000e-01 -1.2544070000e+00 -4.2771200000e-01  5.5036300000e-01  6.9184700000e-01  1.1605870000e+00 -8.2909300000e-01  1.1614740000e+00  1.6931230000e+00 -1.8715300000e-01  1.2360340000e+00  3.8070600000e-01 -9.3808300000e-01
+ENERGY -1.526553174531e+02
+FORCES  9.5060000000e-04  6.1957000000e-03 -5.7539000000e-03 -6.0000000000e-05 -1.0109000000e-03  1.9068000000e-03 -1.6250000000e-04 -4.5456000000e-03  2.8893000000e-03  5.5361000000e-03  2.4830000000e-04  3.0114000000e-03 -2.1037000000e-03 -2.2268000000e-03 -3.2711000000e-03 -4.1605000000e-03  1.3394000000e-03  1.2175000000e-03
+
+JOB 64
+COORDS  6.6409400000e-01  8.6221000000e-01  1.0978670000e+00  6.3449300000e-01  1.3177880000e+00  1.9391780000e+00  1.3720990000e+00  2.2534000000e-01  1.1946040000e+00 -6.5464500000e-01 -8.7140000000e-01 -1.1880560000e+00 -1.6010550000e+00 -9.8509000000e-01 -1.2753160000e+00 -5.4539700000e-01 -3.8948600000e-01 -3.6826600000e-01
+ENERGY -1.526600078852e+02
+FORCES  4.3336000000e-03  1.2283000000e-03  4.8541000000e-03  9.0520000000e-04 -2.1221000000e-03 -3.5451000000e-03 -4.4034000000e-03  2.8166000000e-03 -1.3170000000e-04 -2.1106000000e-03  4.0974000000e-03  4.4883000000e-03  3.2096000000e-03  5.3740000000e-04  5.3650000000e-04 -1.9344000000e-03 -6.5576000000e-03 -6.2021000000e-03
+
+JOB 65
+COORDS  5.4467500000e-01  4.0501900000e-01  1.5280040000e+00 -1.9140200000e-01  1.8547200000e-01  9.5684600000e-01  1.3057990000e+00  1.2895000000e-02  1.1000300000e+00 -5.4324600000e-01 -3.8234100000e-01 -1.4088910000e+00 -3.6790200000e-01  4.5799800000e-01 -1.8323500000e+00 -7.5330300000e-01 -9.7539000000e-01 -2.1302790000e+00
+ENERGY -1.526594056492e+02
+FORCES -1.0658000000e-03 -4.5856000000e-03 -6.6656000000e-03  2.6574000000e-03  3.2656000000e-03  5.5223000000e-03 -1.2622000000e-03  2.1423000000e-03  2.6353000000e-03 -8.3570000000e-04  2.2870000000e-04 -6.1173000000e-03 -7.9350000000e-04 -4.1744000000e-03  2.0661000000e-03  1.2998000000e-03  3.1234000000e-03  2.5592000000e-03
+
+JOB 66
+COORDS  1.3730300000e-01  1.1261040000e+00  1.2128700000e+00 -6.8576800000e-01  1.0284020000e+00  1.6916610000e+00  1.1386900000e-01  4.3438700000e-01  5.5165100000e-01 -6.7056000000e-02 -1.1138100000e+00 -1.1512560000e+00 -9.7950100000e-01 -8.3822600000e-01 -1.2391660000e+00  3.3914200000e-01 -8.6756100000e-01 -1.9822780000e+00
+ENERGY -1.526593143581e+02
+FORCES -1.6112000000e-03 -5.8277000000e-03 -2.2701000000e-03  2.4842000000e-03  2.8170000000e-04 -2.3733000000e-03 -1.9755000000e-03  7.2962000000e-03  5.8680000000e-03 -1.5085000000e-03 -4.4510000000e-04 -7.4646000000e-03  5.0608000000e-03 -1.5000000000e-05  2.3665000000e-03 -2.4497000000e-03 -1.2902000000e-03  3.8735000000e-03
+
+JOB 67
+COORDS -5.9243000000e-02 -8.3619400000e-01 -1.4860340000e+00  5.8403100000e-01 -4.4907400000e-01 -2.0798090000e+00 -5.4958000000e-02 -2.6201900000e-01 -7.2017700000e-01  2.4996000000e-02  7.2216700000e-01  1.4534100000e+00  1.1301100000e-01  1.5692730000e+00  1.0164930000e+00 -1.1089100000e-01  9.4064100000e-01  2.3753840000e+00
+ENERGY -1.526573104124e+02
+FORCES  2.4487000000e-03  2.9595000000e-03  3.5987000000e-03 -2.5189000000e-03 -8.8640000000e-04  2.3860000000e-03  2.2980000000e-04 -8.5950000000e-04 -7.9801000000e-03 -7.9260000000e-04  3.9260000000e-03  5.8310000000e-03 -3.2040000000e-04 -5.2546000000e-03  1.4120000000e-04  9.5350000000e-04  1.1510000000e-04 -3.9768000000e-03
+
+JOB 68
+COORDS  2.1266400000e-01 -1.4718080000e+00  8.3793200000e-01  5.5138500000e-01 -1.7841340000e+00  1.6769500000e+00  2.7445500000e-01 -5.1826000000e-01  8.9415500000e-01 -2.6804500000e-01  1.3857800000e+00 -8.6736400000e-01  6.5972600000e-01  1.4365050000e+00 -1.0973640000e+00 -6.1074900000e-01  2.2588630000e+00 -1.0584440000e+00
+ENERGY -1.526566252416e+02
+FORCES -9.3800000000e-05  3.9925000000e-03  2.6408000000e-03 -1.2891000000e-03  1.4748000000e-03 -3.3653000000e-03  2.5628000000e-03 -6.2510000000e-03  1.7735000000e-03  1.1164000000e-03  4.7341000000e-03 -4.1059000000e-03 -4.0888000000e-03 -2.0350000000e-04  2.5552000000e-03  1.7925000000e-03 -3.7468000000e-03  5.0170000000e-04
+
+JOB 69
+COORDS  1.1138930000e+00  1.1807200000e+00  8.6758500000e-01  4.8017700000e-01  4.8106100000e-01  7.0911600000e-01  8.2393600000e-01  1.5866420000e+00  1.6845210000e+00 -1.0660750000e+00 -1.2004410000e+00 -8.4312600000e-01 -1.6479180000e+00 -5.0035700000e-01 -1.1390510000e+00 -4.3874800000e-01 -1.3093090000e+00 -1.5578570000e+00
+ENERGY -1.526582966980e+02
+FORCES -4.1040000000e-03 -2.7292000000e-03  2.5195000000e-03  4.3400000000e-03  5.7898000000e-03  1.7546000000e-03  9.0230000000e-04 -1.4038000000e-03 -3.1914000000e-03 -1.2005000000e-03  4.9900000000e-04 -6.7105000000e-03  2.9856000000e-03 -2.8545000000e-03  2.0682000000e-03 -2.9235000000e-03  6.9870000000e-04  3.5597000000e-03
+
+JOB 70
+COORDS  9.4449600000e-01  1.3083400000e-01  1.6453950000e+00  8.3621800000e-01  1.0906300000e-01  6.9458800000e-01  1.2069240000e+00 -7.5994600000e-01  1.8775070000e+00 -9.3061400000e-01 -9.2596000000e-02 -1.5389860000e+00 -1.3004440000e+00 -7.0696500000e-01 -2.1730270000e+00 -9.5198500000e-01  7.5420600000e-01 -1.9847450000e+00
+ENERGY -1.526572079259e+02
+FORCES -1.0172000000e-03 -4.0582000000e-03 -4.4230000000e-03  3.0086000000e-03  1.1096000000e-03  5.8186000000e-03 -6.6850000000e-04  3.2556000000e-03 -4.7400000000e-04 -3.3184000000e-03  7.0660000000e-04 -5.2574000000e-03  1.4861000000e-03  2.8334000000e-03  2.4474000000e-03  5.0950000000e-04 -3.8471000000e-03  1.8883000000e-03
+
+JOB 71
+COORDS  8.3574000000e-02  1.9289790000e+00  3.5449700000e-01  5.0039300000e-01  1.2941120000e+00  9.3711000000e-01 -7.2745000000e-02  1.4443690000e+00 -4.5602700000e-01 -1.4658200000e-01 -1.8262250000e+00 -3.0244400000e-01  3.6299000000e-02 -2.7641400000e+00 -2.4673600000e-01  4.6240200000e-01 -1.5019690000e+00 -9.6594200000e-01
+ENERGY -1.526551052149e+02
+FORCES -3.3890000000e-04 -5.9605000000e-03 -1.2190000000e-04 -6.3090000000e-04  3.8161000000e-03 -2.3864000000e-03  1.7259000000e-03  2.5561000000e-03  2.1616000000e-03  2.7400000000e-03 -4.6238000000e-03 -2.6811000000e-03 -6.6400000000e-04  4.0869000000e-03 -3.3210000000e-04 -2.8322000000e-03  1.2520000000e-04  3.3598000000e-03
+
+JOB 72
+COORDS  1.7516060000e+00  4.8697500000e-01 -8.4073800000e-01  2.3264990000e+00 -2.4790000000e-01 -6.2698900000e-01  1.2968090000e+00  6.8209500000e-01 -2.1396000000e-02 -1.8031060000e+00 -4.7471500000e-01  8.2932200000e-01 -1.0647290000e+00  1.3012600000e-01  9.0142200000e-01 -1.8023890000e+00 -7.4596100000e-01 -8.8642000000e-02
+ENERGY -1.526535636249e+02
+FORCES  2.4216000000e-03 -2.2653000000e-03  4.2388000000e-03 -2.6412000000e-03  3.3552000000e-03 -1.0711000000e-03 -3.2630000000e-04 -1.1409000000e-03 -3.4079000000e-03  2.2904000000e-03  1.3635000000e-03 -4.5777000000e-03 -1.3640000000e-03 -2.2171000000e-03  3.3480000000e-04 -3.8050000000e-04  9.0460000000e-04  4.4831000000e-03
+
+JOB 73
+COORDS  2.1570200000e-01  1.7510630000e+00 -1.0929230000e+00  5.9218700000e-01  8.9825000000e-01 -1.3101800000e+00 -6.4332700000e-01  1.5470190000e+00 -7.2323800000e-01 -1.8410700000e-01 -1.6885700000e+00  1.0247860000e+00 -8.1571800000e-01 -2.2789900000e+00  1.4355220000e+00  2.5156100000e-01 -1.2550630000e+00  1.7586100000e+00
+ENERGY -1.526564577343e+02
+FORCES -2.3066000000e-03 -5.6925000000e-03  7.4830000000e-04 -7.8770000000e-04  4.4598000000e-03  2.0960000000e-04  3.1430000000e-03  2.0627000000e-03 -1.5238000000e-03 -5.5440000000e-04 -1.5652000000e-03  5.4246000000e-03  2.6071000000e-03  2.6346000000e-03 -1.6062000000e-03 -2.1013000000e-03 -1.8995000000e-03 -3.2525000000e-03
+
+JOB 74
+COORDS  4.1320000000e-02  5.2919800000e-01  2.2181680000e+00 -8.6500200000e-01  2.2134000000e-01  2.2121790000e+00  5.0176400000e-01 -6.8698000000e-02  1.6293180000e+00  3.0677000000e-02 -4.3854700000e-01 -2.1930680000e+00 -8.0472300000e-01 -3.0756300000e-01 -1.7445340000e+00 -6.9110000000e-03 -1.3403090000e+00 -2.5118850000e+00
+ENERGY -1.526542688134e+02
+FORCES -1.0272000000e-03 -3.5600000000e-03 -2.5485000000e-03  3.4769000000e-03  1.2257000000e-03 -3.4110000000e-04 -2.5304000000e-03  2.2835000000e-03  3.1499000000e-03 -3.8552000000e-03 -2.6808000000e-03 -7.6440000000e-04  3.7430000000e-03 -1.0575000000e-03 -1.2375000000e-03  1.9290000000e-04  3.7892000000e-03  1.7416000000e-03
+
+JOB 75
+COORDS  1.2543070000e+00 -1.8399460000e+00 -4.2054100000e-01  8.3065400000e-01 -2.4002990000e+00  2.2965400000e-01  6.5971800000e-01 -1.8507700000e+00 -1.1705930000e+00 -1.1947330000e+00  1.9411550000e+00  4.1747000000e-01 -1.0539660000e+00  1.4012770000e+00  1.1952550000e+00 -1.3879710000e+00  1.3132900000e+00 -2.7871700000e-01
+ENERGY -1.526538251042e+02
+FORCES -3.2238000000e-03 -3.1070000000e-03 -8.4410000000e-04  1.4430000000e-03  2.8359000000e-03 -2.6205000000e-03  2.0093000000e-03  4.8420000000e-04  3.4694000000e-03  8.6500000000e-04 -5.0069000000e-03  3.5660000000e-04 -1.2573000000e-03  2.3180000000e-03 -2.9379000000e-03  1.6380000000e-04  2.4759000000e-03  2.5765000000e-03
+
+JOB 76
+COORDS -1.6279500000e-01  2.4905160000e+00  5.9376200000e-01 -7.4673200000e-01  2.1168420000e+00 -6.6251000000e-02 -3.5401000000e-02  1.7853220000e+00  1.2283520000e+00  1.4535200000e-01 -2.4620830000e+00 -6.3094800000e-01  2.3637500000e-01 -2.4764440000e+00  3.2180600000e-01  7.9828000000e-01 -1.8268410000e+00 -9.2485900000e-01
+ENERGY -1.526542089559e+02
+FORCES -2.5375000000e-03 -4.0728000000e-03 -5.0500000000e-05  2.7940000000e-03  1.5944000000e-03  2.7731000000e-03 -9.1600000000e-05  2.6318000000e-03 -2.6827000000e-03  3.6208000000e-03  1.6905000000e-03  2.3824000000e-03 -6.2610000000e-04  5.5760000000e-04 -3.8922000000e-03 -3.1596000000e-03 -2.4015000000e-03  1.4699000000e-03
+
+JOB 77
+COORDS  8.1710800000e-01  8.3612900000e-01 -2.2570450000e+00  1.3414240000e+00  9.2140300000e-01 -1.4607700000e+00  8.6440700000e-01 -9.4245000000e-02 -2.4770420000e+00 -8.3835400000e-01 -7.6511800000e-01  2.1680780000e+00 -1.6575410000e+00 -9.1435900000e-01  2.6401910000e+00 -1.5582300000e-01 -1.0498050000e+00  2.7758100000e+00
+ENERGY -1.526543143917e+02
+FORCES  1.6258000000e-03 -3.7060000000e-03  3.2534000000e-03 -1.4584000000e-03 -1.0850000000e-04 -3.6740000000e-03  1.0080000000e-04  3.7488000000e-03  4.2080000000e-04 -1.1766000000e-03 -1.6375000000e-03  4.5601000000e-03  3.4824000000e-03  4.9890000000e-04 -1.8164000000e-03 -2.5740000000e-03  1.2044000000e-03 -2.7438000000e-03
+
+JOB 78
+COORDS  4.8021300000e-01  2.6689400000e+00  9.2627000000e-02 -1.9584000000e-01  2.3765070000e+00 -5.1865600000e-01  1.0595020000e+00  3.2185540000e+00 -4.3518100000e-01 -4.9643900000e-01 -2.7464420000e+00 -3.8581000000e-02 -1.0220590000e+00 -1.9604950000e+00 -1.8772100000e-01  3.7440100000e-01 -2.4148030000e+00  1.8024300000e-01
+ENERGY -1.526543281413e+02
+FORCES -2.9800000000e-04  1.8650000000e-03 -4.6759000000e-03  2.8014000000e-03  5.8780000000e-04  2.6458000000e-03 -2.4337000000e-03 -2.3822000000e-03  2.1778000000e-03  1.5924000000e-03  4.6936000000e-03  7.6270000000e-04  1.9402000000e-03 -3.1562000000e-03  2.2960000000e-04 -3.6023000000e-03 -1.6080000000e-03 -1.1400000000e-03
+
+JOB 79
+COORDS -7.0022600000e-01 -2.7700650000e+00 -4.7943000000e-01 -2.0657000000e-01 -1.9882920000e+00 -2.3170400000e-01 -1.6012550000e+00 -2.5770380000e+00 -2.2035700000e-01  6.9575400000e-01  2.6530380000e+00  4.6691200000e-01  4.8191600000e-01  3.5222840000e+00  8.0590500000e-01  1.3933960000e+00  2.8086700000e+00 -1.6972500000e-01
+ENERGY -1.526549696900e+02
+FORCES -1.6034000000e-03  4.4382000000e-03  2.2376000000e-03 -1.9131000000e-03 -3.6718000000e-03 -1.2028000000e-03  3.4753000000e-03 -1.0341000000e-03 -1.0969000000e-03  2.0586000000e-03  4.5784000000e-03 -1.1447000000e-03  8.9510000000e-04 -3.5523000000e-03 -1.4262000000e-03 -2.9125000000e-03 -7.5840000000e-04  2.6330000000e-03
+
+JOB 80
+COORDS -6.1093400000e-01  1.4472140000e+00 -2.5552570000e+00  2.7177800000e-01  1.6565360000e+00 -2.8606030000e+00 -7.4205100000e-01  2.0128180000e+00 -1.7942500000e+00  5.5360900000e-01 -1.5446440000e+00  2.4873900000e+00 -5.5555000000e-02 -9.3951100000e-01  2.9104330000e+00  1.4197130000e+00 -1.2470270000e+00  2.7658160000e+00
+ENERGY -1.526536988648e+02
+FORCES  3.1687000000e-03  2.8178000000e-03  1.9920000000e-03 -3.6135000000e-03 -7.1260000000e-04  1.1924000000e-03  4.8370000000e-04 -2.1247000000e-03 -3.0895000000e-03  9.3260000000e-04  3.4970000000e-03  2.8136000000e-03  2.5615000000e-03 -2.3536000000e-03 -1.7266000000e-03 -3.5330000000e-03 -1.1240000000e-03 -1.1820000000e-03
+
+JOB 81
+COORDS  1.6709980000e+00  2.4425700000e+00  4.7523800000e-01  1.9758160000e+00  2.2946180000e+00  1.3704640000e+00  2.3835340000e+00  2.1209790000e+00 -7.7124000000e-02 -1.7562730000e+00 -2.4313990000e+00 -4.3208900000e-01 -8.9140700000e-01 -2.6648670000e+00 -7.6933000000e-01 -2.1701550000e+00 -1.9479130000e+00 -1.1470540000e+00
+ENERGY -1.526540374681e+02
+FORCES  4.0505000000e-03 -1.9145000000e-03  1.6927000000e-03 -1.1148000000e-03  6.7630000000e-04 -3.7401000000e-03 -2.9560000000e-03  1.2233000000e-03  2.1152000000e-03  1.8405000000e-03  1.4729000000e-03 -4.2546000000e-03 -3.4360000000e-03  7.5830000000e-04  1.3710000000e-03  1.6158000000e-03 -2.2163000000e-03  2.8158000000e-03
+
+JOB 82
+COORDS -1.3784030000e+00 -2.6310860000e+00  1.5642440000e+00 -2.0953770000e+00 -2.8700550000e+00  2.1516740000e+00 -9.3205000000e-01 -1.9115740000e+00  2.0106790000e+00  1.3881780000e+00  2.5454130000e+00 -1.5817650000e+00  9.0529700000e-01  3.3506190000e+00 -1.3954760000e+00  1.9016030000e+00  2.7489000000e+00 -2.3635710000e+00
+ENERGY -1.526540239468e+02
+FORCES -8.8780000000e-04  2.2043000000e-03  4.0335000000e-03  2.8689000000e-03  9.3520000000e-04 -2.3839000000e-03 -1.9759000000e-03 -3.1040000000e-03 -1.5914000000e-03  8.7200000000e-05  3.9915000000e-03 -2.6340000000e-03  1.9818000000e-03 -3.2729000000e-03 -6.5250000000e-04 -2.0742000000e-03 -7.5400000000e-04  3.2283000000e-03
+
+JOB 83
+COORDS  1.4939700000e-01  2.6624750000e+00 -2.3734810000e+00  5.4141600000e-01  1.8099950000e+00 -2.1841940000e+00 -5.2863700000e-01  2.4759510000e+00 -3.0228740000e+00 -1.4573100000e-01 -2.6595780000e+00  2.4302740000e+00 -5.9248600000e-01 -2.3243680000e+00  1.6529220000e+00  5.0302300000e-01 -1.9884740000e+00  2.6423310000e+00
+ENERGY -1.526539292771e+02
+FORCES -1.1164000000e-03 -4.0471000000e-03 -2.1935000000e-03 -1.6926000000e-03  3.3757000000e-03 -5.1310000000e-04  2.7849000000e-03  6.8950000000e-04  2.7698000000e-03  7.4970000000e-04  4.1644000000e-03 -2.0607000000e-03  1.9084000000e-03 -1.3866000000e-03  3.0034000000e-03 -2.6339000000e-03 -2.7959000000e-03 -1.0059000000e-03
+
+JOB 84
+COORDS  2.1022200000e-01  1.1318320000e+00 -3.4379810000e+00 -8.1229000000e-02  9.3745300000e-01 -2.5471920000e+00  7.8440400000e-01  4.0115000000e-01 -3.6674390000e+00 -1.8542900000e-01 -1.0752980000e+00  3.3503110000e+00 -9.1687100000e-01 -1.6864400000e+00  3.4382300000e+00 -1.8622100000e-01 -5.8058500000e-01  4.1697560000e+00
+ENERGY -1.526544678519e+02
+FORCES  1.2395000000e-03 -3.7934000000e-03  2.9529000000e-03  1.0816000000e-03  8.4220000000e-04 -3.8366000000e-03 -2.3399000000e-03  2.9588000000e-03  7.8400000000e-04 -2.9489000000e-03 -4.7810000000e-04  3.9439000000e-03  2.9893000000e-03  2.5124000000e-03 -4.6720000000e-04 -2.1500000000e-05 -2.0419000000e-03 -3.3770000000e-03
+
+JOB 85
+COORDS -7.9292900000e-01 -1.7403240000e+00 -3.3185140000e+00 -6.4470100000e-01 -1.4485070000e+00 -4.2180160000e+00  7.6605000000e-02 -1.9789380000e+00 -2.9972550000e+00  7.7125300000e-01  1.6839100000e+00  3.3301270000e+00  1.7665000000e-01  2.2453630000e+00  2.8326830000e+00  7.6463400000e-01  2.0509730000e+00  4.2141250000e+00
+ENERGY -1.526541686648e+02
+FORCES  4.2412000000e-03  1.7230000000e-04 -2.2176000000e-03 -6.4100000000e-04 -1.1596000000e-03  3.6398000000e-03 -3.5807000000e-03  9.6040000000e-04 -1.4417000000e-03 -2.5990000000e-03  3.7334000000e-03  1.5301000000e-03  2.5146000000e-03 -2.2219000000e-03  2.0806000000e-03  6.4900000000e-05 -1.4847000000e-03 -3.5912000000e-03
+
+JOB 86
+COORDS  6.1662300000e-01 -2.0940410000e+00  3.5271880000e+00  7.9392000000e-02 -1.3580820000e+00  3.2339670000e+00  1.5133710000e+00 -1.7599230000e+00  3.5062200000e+00 -6.1176600000e-01  1.9796340000e+00 -3.4709680000e+00 -1.4453360000e+00  1.9971700000e+00 -3.9411660000e+00 -2.1767800000e-01  2.8335400000e+00 -3.6492140000e+00
+ENERGY -1.526542161583e+02
+FORCES  1.4512000000e-03  4.3977000000e-03 -1.5269000000e-03  2.1680000000e-03 -3.0072000000e-03  1.3648000000e-03 -3.6115000000e-03 -1.3784000000e-03  1.9960000000e-04 -1.8221000000e-03  3.5068000000e-03 -2.7930000000e-03  3.4091000000e-03 -3.9000000000e-05  1.9570000000e-03 -1.5947000000e-03 -3.4800000000e-03  7.9850000000e-04
+
+JOB 87
+COORDS  5.1672000000e-01  3.0334470000e+00 -2.8247520000e+00  1.1245890000e+00  3.4121410000e+00 -2.1896790000e+00 -2.6470800000e-01  3.5831610000e+00 -2.7663070000e+00 -4.6297300000e-01 -3.0439240000e+00  2.7557120000e+00 -3.5565500000e-01 -3.9859780000e+00  2.8870480000e+00 -1.3344210000e+00 -2.8511310000e+00  3.1016040000e+00
+ENERGY -1.526539821494e+02
+FORCES -6.7990000000e-04  3.6402000000e-03  2.9777000000e-03 -2.4787000000e-03 -1.4423000000e-03 -2.6628000000e-03  3.1620000000e-03 -2.1998000000e-03 -2.8650000000e-04 -3.1239000000e-03 -3.0824000000e-03  1.8209000000e-03 -4.3670000000e-04  3.8466000000e-03 -4.9060000000e-04  3.5573000000e-03 -7.6230000000e-04 -1.3588000000e-03
+
+JOB 88
+COORDS  1.6286500000e-01  1.6998500000e-01 -4.2012140000e+00  1.9663400000e-01 -7.8605800000e-01 -4.2339660000e+00 -7.3098100000e-01  3.6914800000e-01 -3.9226360000e+00 -1.7498600000e-01 -1.4875100000e-01  4.1667700000e+00  1.0704000000e-02  4.8496200000e-01  4.8597050000e+00  6.8664400000e-01 -3.9947400000e-01  3.8336580000e+00
+ENERGY -1.526542121150e+02
+FORCES -3.5919000000e-03 -3.0797000000e-03  1.0686000000e-03 -8.4500000000e-05  3.8857000000e-03  1.0890000000e-04  3.6688000000e-03 -8.0600000000e-04 -1.2039000000e-03  4.3268000000e-03  1.6250000000e-03  1.4610000000e-03 -7.7370000000e-04 -2.5980000000e-03 -2.8087000000e-03 -3.5454000000e-03  9.7300000000e-04  1.3741000000e-03
+
+JOB 89
+COORDS -5.3216100000e-01  3.6831340000e+00  2.1551310000e+00 -7.8271700000e-01  3.5291110000e+00  3.0660270000e+00  4.1438400000e-01  3.8219920000e+00  2.1867850000e+00  4.3803500000e-01 -3.6520520000e+00 -2.1708640000e+00  4.6663700000e-01 -4.5035360000e+00 -2.6071990000e+00  1.3251040000e+00 -3.3047030000e+00 -2.2640800000e+00
+ENERGY -1.526539386361e+02
+FORCES  2.7905000000e-03 -1.9490000000e-04  3.8209000000e-03  1.0410000000e-03  6.9040000000e-04 -3.6948000000e-03 -3.8316000000e-03 -5.2310000000e-04 -1.3130000000e-04  3.6930000000e-03 -1.9646000000e-03 -2.1864000000e-03 -1.1080000000e-04  3.4584000000e-03  1.7961000000e-03 -3.5821000000e-03 -1.4662000000e-03  3.9550000000e-04
+
+JOB 0
+COORDS -1.9317000000e-02 -9.5229100000e-01  8.3146700000e-01 -9.7388100000e-01 -9.9926700000e-01  7.7823300000e-01  2.8814700000e-01 -1.4557620000e+00  7.7667000000e-02  3.3720000000e-03  9.9468200000e-01 -8.2563100000e-01  8.4544100000e-01  1.4471280000e+00 -7.7619600000e-01  4.6658000000e-02  3.3116700000e-01 -1.3707700000e-01
+ENERGY -1.526548444836e+02
+FORCES -2.6858000000e-03  7.0090000000e-03 -1.0364700000e-02  7.0346000000e-03  3.0991000000e-03 -1.9313000000e-03 -1.6875000000e-03  8.2701000000e-03  2.9604000000e-03  1.6960000000e-03 -1.5694700000e-02  1.9014500000e-02 -1.6201000000e-03 -3.2933000000e-03  9.9670000000e-04 -2.7372000000e-03  6.0980000000e-04 -1.0675500000e-02
+
+JOB 1
+COORDS  9.9358200000e-01 -7.7709300000e-01  2.5317400000e-01  1.3594100000e+00 -8.0078200000e-01  1.1373920000e+00  3.7264100000e-01 -4.8816000000e-02  2.6979300000e-01 -9.2862900000e-01  7.7369200000e-01 -2.6974900000e-01 -1.6175460000e+00  2.2508100000e-01  1.0528700000e-01 -1.0696830000e+00  7.2325400000e-01 -1.2151540000e+00
+ENERGY -1.526563229100e+02
+FORCES -1.5639300000e-02  1.5630200000e-02 -5.6496000000e-03 -4.4440000000e-03  2.5016000000e-03 -2.1515000000e-03  4.7137000000e-03 -7.4357000000e-03  5.0996000000e-03  1.0950300000e-02 -1.3172900000e-02 -1.1894000000e-03  5.4086000000e-03  2.3595000000e-03 -1.4032000000e-03 -9.8930000000e-04  1.1720000000e-04  5.2942000000e-03
+
+JOB 2
+COORDS -6.5527600000e-01  8.6652000000e-01 -8.0955900000e-01 -8.6140000000e-03  2.3484900000e-01 -4.9483400000e-01 -1.3841440000e+00  7.9085500000e-01 -1.9372000000e-01  6.8451200000e-01 -8.0122300000e-01  6.8382600000e-01  7.1804800000e-01 -3.1688100000e-01  1.5087630000e+00  2.3316900000e-01 -1.6165420000e+00  9.0240500000e-01
+ENERGY -1.526564815875e+02
+FORCES  8.8914000000e-03 -1.4921200000e-02  1.3148300000e-02 -2.0789000000e-03  5.3927000000e-03 -4.4627000000e-03  1.2473000000e-03  5.3670000000e-04 -7.8420000000e-04 -7.7840000000e-03  6.8767000000e-03 -3.5313000000e-03 -1.7287000000e-03 -3.1978000000e-03 -4.3390000000e-03  1.4529000000e-03  5.3129000000e-03 -3.1100000000e-05
+
+JOB 3
+COORDS -3.7169200000e-01 -2.5659100000e-01 -1.1625900000e+00 -1.2412230000e+00 -3.7489800000e-01 -1.5448880000e+00  9.3274000000e-02 -1.0675940000e+00 -1.3682910000e+00  3.8049200000e-01  3.1243600000e-01  1.2626780000e+00 -1.0208500000e-01 -1.4044400000e-01  5.7112100000e-01  1.1304880000e+00  7.0404500000e-01  8.1504000000e-01
+ENERGY -1.526561092874e+02
+FORCES  1.5424000000e-03  1.2302000000e-03  5.9364000000e-03  5.1163000000e-03 -2.6750000000e-04  2.8254000000e-03 -2.8879000000e-03  4.9633000000e-03  3.5871000000e-03 -5.1062000000e-03 -1.0890000000e-03 -2.0812800000e-02  1.5359000000e-03 -3.5387000000e-03  6.2860000000e-03 -2.0060000000e-04 -1.2983000000e-03  2.1779000000e-03
+
+JOB 4
+COORDS  7.9161200000e-01  7.1254000000e-01  8.7109800000e-01  2.4597500000e-01  9.9228600000e-01  1.6061180000e+00  1.7799100000e-01  3.1109200000e-01  2.5584100000e-01 -6.5917400000e-01 -6.8413000000e-01 -8.6001100000e-01 -1.3561480000e+00 -1.1950000000e-01 -1.1941550000e+00 -1.0594100000e+00 -1.5518260000e+00 -8.0392000000e-01
+ENERGY -1.526581222833e+02
+FORCES -9.4260000000e-03 -9.7520000000e-03 -8.8211000000e-03  2.1360000000e-04 -1.4902000000e-03 -3.1245000000e-03  2.1966000000e-03  8.6257000000e-03  3.8437000000e-03  2.4689000000e-03  9.3400000000e-05  5.5050000000e-03  4.2051000000e-03 -2.4905000000e-03  4.3073000000e-03  3.4180000000e-04  5.0136000000e-03 -1.7103000000e-03
+
+JOB 5
+COORDS -5.5570300000e-01 -1.1779300000e+00  1.9363100000e-01  8.7011000000e-02 -1.3928020000e+00  8.6963500000e-01 -4.5935800000e-01 -1.8720420000e+00 -4.5841100000e-01  5.7181800000e-01  1.2391760000e+00 -2.2157900000e-01  2.8893000000e-02  1.9152880000e+00  1.8380600000e-01  6.7614000000e-02  4.3220500000e-01 -1.1762400000e-01
+ENERGY -1.526607290400e+02
+FORCES  4.8679000000e-03  1.1258000000e-03 -1.7758000000e-03 -3.2959000000e-03  2.5537000000e-03 -4.8324000000e-03  1.8620000000e-04  3.0241000000e-03  4.2401000000e-03 -9.1251000000e-03 -1.2164600000e-02  1.2389000000e-03  9.1920000000e-04 -3.2174000000e-03 -5.2080000000e-04  6.4477000000e-03  8.6785000000e-03  1.6500000000e-03
+
+JOB 6
+COORDS  3.3478700000e-01  1.4490800000e-01  1.3385900000e+00  1.0728000000e-01  1.7370000000e-03  4.1990900000e-01 -8.2086000000e-02 -5.7972400000e-01  1.8048060000e+00 -2.6657400000e-01 -1.3404000000e-01 -1.2734900000e+00  8.6611000000e-02  7.2292500000e-01 -1.5124520000e+00 -1.1145920000e+00 -1.7584500000e-01 -1.7154730000e+00
+ENERGY -1.526596241109e+02
+FORCES -5.3793000000e-03 -5.3040000000e-03 -1.4156200000e-02  4.7871000000e-03  4.8477000000e-03  7.1782000000e-03  4.5220000000e-04  1.7988000000e-03 -1.7981000000e-03 -1.8584000000e-03  2.9435000000e-03  4.0772000000e-03 -2.7154000000e-03 -5.1323000000e-03  3.4629000000e-03  4.7140000000e-03  8.4630000000e-04  1.2359000000e-03
+
+JOB 7
+COORDS  6.9348800000e-01  7.2441600000e-01  8.2403800000e-01  1.5845800000e+00  1.0647990000e+00  9.0358000000e-01  2.7975800000e-01  9.3716300000e-01  1.6605770000e+00 -7.5150900000e-01 -8.0770000000e-01 -8.5075200000e-01 -6.5051900000e-01 -4.9758000000e-01 -1.7506730000e+00 -2.8499000000e-01 -1.6162200000e-01 -3.2049300000e-01
+ENERGY -1.526598782704e+02
+FORCES -1.3879000000e-03 -3.6983000000e-03 -2.8634000000e-03 -4.5401000000e-03 -5.8170000000e-04  1.4721000000e-03  3.1487000000e-03 -6.1140000000e-04 -4.1286000000e-03  8.5946000000e-03  8.9705000000e-03  6.6837000000e-03  7.6140000000e-04 -2.5110000000e-04  2.8855000000e-03 -6.5768000000e-03 -3.8281000000e-03 -4.0493000000e-03
+
+JOB 8
+COORDS  5.6561300000e-01  1.1583920000e+00 -8.0990000000e-02 -1.4433500000e-01  1.7827320000e+00 -2.3067700000e-01  1.3370830000e+00  1.7041990000e+00  7.1195000000e-02 -5.6509200000e-01 -1.2919320000e+00  9.3343000000e-02  8.4659000000e-02 -6.0070600000e-01  2.2086200000e-01 -1.3291320000e+00 -8.4000300000e-01 -2.6475800000e-01
+ENERGY -1.526578067930e+02
+FORCES -3.3969000000e-03 -2.1494000000e-03  2.1510000000e-04  3.7124000000e-03 -2.8016000000e-03  5.2480000000e-04 -4.4436000000e-03 -2.0604000000e-03 -8.9620000000e-04  4.9832000000e-03  1.4560100000e-02 -2.1868000000e-03 -1.7515000000e-03 -6.5544000000e-03  1.3963000000e-03  8.9630000000e-04 -9.9430000000e-04  9.4680000000e-04
+
+JOB 9
+COORDS  9.5549300000e-01 -7.2965700000e-01  5.6536200000e-01  1.4277660000e+00 -3.8616400000e-01  1.3237830000e+00  3.1649900000e-01 -1.3383470000e+00  9.3605900000e-01 -9.6233800000e-01  8.0100800000e-01 -6.6586300000e-01 -1.5491660000e+00  8.2182000000e-02 -4.3101200000e-01 -1.1745300000e-01  5.5360500000e-01 -2.9010700000e-01
+ENERGY -1.526576577671e+02
+FORCES -4.3809000000e-03 -2.2400000000e-04  2.3405000000e-03 -3.5081000000e-03 -1.1158000000e-03 -4.2545000000e-03  2.2307000000e-03  4.1078000000e-03 -2.1669000000e-03  1.0073100000e-02 -1.0393700000e-02  6.6855000000e-03  1.0059000000e-03  1.3154000000e-03 -3.5100000000e-05 -5.4207000000e-03  6.3103000000e-03 -2.5696000000e-03
+
+JOB 10
+COORDS  1.4700600000e-01  1.6846000000e-01 -1.3859940000e+00  1.0358100000e-01  1.4347200000e-01 -4.3010600000e-01 -7.2168900000e-01 -1.1288300000e-01 -1.6731290000e+00 -1.0604800000e-01 -1.4519500000e-01  1.2860860000e+00  5.4146400000e-01  2.7231100000e-01  1.8541070000e+00 -6.1919300000e-01 -6.9947700000e-01  1.8740370000e+00
+ENERGY -1.526593221252e+02
+FORCES -4.5484000000e-03 -3.0191000000e-03  1.4374500000e-02  3.0113000000e-03  3.1943000000e-03 -6.5694000000e-03  2.0641000000e-03  3.1120000000e-04  7.9800000000e-04  3.5100000000e-05 -1.2064000000e-03 -4.8945000000e-03 -3.7025000000e-03 -2.6895000000e-03 -2.6282000000e-03  3.1403000000e-03  3.4095000000e-03 -1.0804000000e-03
+
+JOB 11
+COORDS -1.9407700000e-01 -1.1563760000e+00 -6.1292200000e-01  3.8983500000e-01 -1.5293650000e+00 -1.2733450000e+00 -8.4183000000e-02 -1.7219260000e+00  1.5147800000e-01  2.1749400000e-01  1.2384190000e+00  6.1638300000e-01 -6.3816100000e-01  1.6201290000e+00  8.1230200000e-01  2.0838000000e-02  3.5340600000e-01  3.0928200000e-01
+ENERGY -1.526591680373e+02
+FORCES  4.6506000000e-03  2.0133000000e-03 -1.0343000000e-03 -3.3774000000e-03  2.5300000000e-05  3.9242000000e-03  3.7900000000e-05  6.3747000000e-03 -3.2066000000e-03 -4.1693000000e-03 -1.0921700000e-02 -8.3004000000e-03  2.1592000000e-03 -2.3431000000e-03 -7.2680000000e-04  6.9910000000e-04  4.8514000000e-03  9.3439000000e-03
+
+JOB 12
+COORDS  1.4097650000e+00  9.5854000000e-02 -6.6658000000e-02  1.5519790000e+00 -5.1544000000e-01  6.5606300000e-01  4.7514400000e-01  2.4762000000e-02 -2.6072700000e-01 -1.3375400000e+00 -1.0120100000e-01 -7.9990000000e-03 -1.7088430000e+00  7.5536300000e-01 -2.1934000000e-01 -1.4381300000e+00 -1.7890800000e-01  9.4072300000e-01
+ENERGY -1.526593862042e+02
+FORCES -1.4989300000e-02 -4.0530000000e-03  8.9740000000e-04 -9.6640000000e-04  2.0466000000e-03 -1.2065000000e-03  9.5728000000e-03  2.5737000000e-03 -2.4660000000e-04  2.0196000000e-03  3.6184000000e-03  4.1307000000e-03  2.9779000000e-03 -4.5516000000e-03  1.4258000000e-03  1.3854000000e-03  3.6590000000e-04 -5.0007000000e-03
+
+JOB 13
+COORDS  1.1203100000e+00 -4.4110500000e-01  7.5035600000e-01  3.0351000000e-01 -1.7253800000e-01  3.2971200000e-01  1.7626990000e+00 -4.5399600000e-01  4.0847000000e-02 -1.0560100000e+00  3.8953500000e-01 -6.5714100000e-01 -1.9521080000e+00  8.1791000000e-02 -7.9328100000e-01 -1.0627370000e+00  1.2940680000e+00 -9.7020000000e-01
+ENERGY -1.526605298826e+02
+FORCES -1.0363000000e-02  3.2696000000e-03 -9.2799000000e-03  7.0448000000e-03 -1.5857000000e-03  4.4065000000e-03 -1.7196000000e-03  6.8520000000e-04  1.7112000000e-03  1.9868000000e-03 -6.0180000000e-04  2.6752000000e-03  3.9419000000e-03  3.1740000000e-03 -3.3140000000e-04 -8.9090000000e-04 -4.9413000000e-03  8.1840000000e-04
+
+JOB 14
+COORDS -5.8003000000e-02  3.1810400000e-01  1.3809070000e+00  1.0378500000e-01 -1.2190500000e-01  5.4637200000e-01 -1.0117140000e+00  3.7012300000e-01  1.4438490000e+00  1.0707900000e-01 -3.4580900000e-01 -1.2911770000e+00  8.2327200000e-01  2.5182100000e-01 -1.5059710000e+00 -6.1366800000e-01 -6.9980000000e-02 -1.8574580000e+00
+ENERGY -1.526593827607e+02
+FORCES -3.2302000000e-03 -4.7740000000e-03 -1.3935000000e-02  3.2214000000e-03  2.7900000000e-03  8.2228000000e-03  2.2960000000e-03  2.8190000000e-04 -1.0870000000e-04 -1.9311000000e-03  5.9089000000e-03  1.5314000000e-03 -4.2245000000e-03 -3.2936000000e-03  2.0747000000e-03  3.8684000000e-03 -9.1300000000e-04  2.2148000000e-03
+
+JOB 15
+COORDS  3.7933800000e-01 -5.9878300000e-01  1.1239870000e+00  9.7929700000e-01 -1.3427240000e+00  1.0707700000e+00 -4.2437600000e-01 -9.6458900000e-01  1.4933950000e+00 -3.6494100000e-01  6.3119900000e-01 -1.2037040000e+00 -2.1009100000e-01  2.7449200000e-01 -3.2905300000e-01 -5.4053400000e-01  1.5605300000e+00 -1.0562460000e+00
+ENERGY -1.526605784606e+02
+FORCES  8.7560000000e-04 -2.9245000000e-03 -3.8887000000e-03 -3.8482000000e-03  2.9733000000e-03  1.7838000000e-03  3.9707000000e-03  2.6424000000e-03 -3.6282000000e-03  5.0183000000e-03 -4.1084000000e-03  1.2158400000e-02 -6.4953000000e-03  4.6320000000e-03 -7.4473000000e-03  4.7900000000e-04 -3.2148000000e-03  1.0221000000e-03
+
+JOB 16
+COORDS -7.8632800000e-01 -1.0951390000e+00  4.2395400000e-01 -1.6773150000e+00 -7.8051000000e-01  5.7687100000e-01 -3.0980300000e-01 -3.2508100000e-01  1.1384800000e-01  7.6563600000e-01  9.7886900000e-01 -3.8954300000e-01  1.6905940000e+00  1.1178600000e+00 -1.8615500000e-01  5.4821700000e-01  1.6769750000e+00 -1.0072870000e+00
+ENERGY -1.526603419948e+02
+FORCES  6.3928000000e-03  1.1321800000e-02 -3.4537000000e-03  2.8450000000e-03  2.7730000000e-04 -1.2309000000e-03 -5.9984000000e-03 -6.3378000000e-03  2.3954000000e-03 -7.9730000000e-04 -3.6771000000e-03  1.2446000000e-03 -4.3615000000e-03  1.2087000000e-03 -2.3686000000e-03  1.9194000000e-03 -2.7928000000e-03  3.4132000000e-03
+
+JOB 17
+COORDS  5.7839700000e-01  1.2517490000e+00  4.2295000000e-01  2.8383600000e-01  3.7419700000e-01  6.6660800000e-01  3.0290800000e-01  1.3530200000e+00 -4.8813800000e-01 -5.5927200000e-01 -1.1428330000e+00 -3.5604600000e-01  1.4081100000e-01 -1.3544690000e+00 -9.7356200000e-01 -1.0023560000e+00 -1.9769300000e+00 -2.0051000000e-01
+ENERGY -1.526586256000e+02
+FORCES -8.3926000000e-03 -9.9530000000e-03 -4.3400000000e-03  4.7899000000e-03  4.5666000000e-03  2.2316000000e-03  2.8410000000e-03  7.7960000000e-04  1.2634000000e-03  1.7901000000e-03 -1.0833000000e-03 -1.4104000000e-03 -3.8862000000e-03  1.7678000000e-03  3.3212000000e-03  2.8578000000e-03  3.9223000000e-03 -1.0659000000e-03
+
+JOB 18
+COORDS  3.2881700000e-01  1.3718020000e+00 -5.8395000000e-02 -3.0445000000e-02  4.9042300000e-01  4.3260000000e-02  1.9248200000e-01  1.7862700000e+00  7.9357900000e-01 -2.6556000000e-01 -1.2931410000e+00 -1.5752000000e-02  4.6231000000e-02 -2.0973770000e+00  3.9924500000e-01 -1.2134270000e+00 -1.4090240000e+00 -8.1720000000e-02
+ENERGY -1.526591509840e+02
+FORCES -1.6161000000e-03 -1.2278600000e-02  2.6039000000e-03 -2.8497000000e-03  9.2532000000e-03 -9.1740000000e-04 -1.9100000000e-05 -2.3900000000e-03 -2.2431000000e-03  2.3636000000e-03  4.7920000000e-04  1.4503000000e-03 -3.3502000000e-03  2.7828000000e-03 -2.3950000000e-03  5.4716000000e-03  2.1534000000e-03  1.5013000000e-03
+
+JOB 19
+COORDS  5.4603800000e-01  1.0195610000e+00 -8.4627200000e-01  1.6025800000e-01  6.0105000000e-01 -7.6691000000e-02  6.8200000000e-02  6.4663600000e-01 -1.5871020000e+00 -5.0453200000e-01 -9.1140200000e-01  8.7319200000e-01 -1.1813030000e+00 -1.5349880000e+00  6.0984400000e-01  3.1856000000e-01 -1.3295810000e+00  6.2045400000e-01
+ENERGY -1.526587775219e+02
+FORCES -9.4341000000e-03 -7.9359000000e-03  5.7834000000e-03  7.5894000000e-03  2.8876000000e-03 -3.5737000000e-03  2.0673000000e-03  6.9190000000e-04  1.3815000000e-03  7.2680000000e-04 -2.3409000000e-03 -4.3090000000e-03  4.1267000000e-03  2.3063000000e-03  6.3890000000e-04 -5.0761000000e-03  4.3910000000e-03  7.8900000000e-05
+
+JOB 20
+COORDS -8.6108700000e-01  8.4688200000e-01  5.6605000000e-01 -3.6595100000e-01  1.4881470000e+00  5.6293000000e-02 -1.1518040000e+00  1.3286670000e+00  1.3403870000e+00  8.2389100000e-01 -9.6020700000e-01 -6.2602500000e-01  1.6882740000e+00 -5.5419100000e-01 -6.9102000000e-01  4.3158200000e-01 -5.6606900000e-01  1.5306500000e-01
+ENERGY -1.526580466513e+02
+FORCES  7.7450000000e-04  2.8595000000e-03 -2.9471000000e-03 -9.1780000000e-04 -3.4824000000e-03  4.5777000000e-03  2.1846000000e-03 -2.1112000000e-03 -4.3294000000e-03 -4.8966000000e-03  5.5920000000e-03  7.0950000000e-03 -3.9923000000e-03  4.8820000000e-04  3.0960000000e-04  6.8476000000e-03 -3.3462000000e-03 -4.7057000000e-03
+
+JOB 21
+COORDS -5.4023000000e-01 -6.5996000000e-02  1.3209200000e+00 -1.1761200000e-01  2.3203000000e-02  4.6671300000e-01 -1.2293290000e+00 -7.1547500000e-01  1.1810910000e+00  4.9851300000e-01  9.2070000000e-02 -1.2262660000e+00  9.7277700000e-01  9.0511800000e-01 -1.4002140000e+00  1.0286860000e+00 -5.8846100000e-01 -1.6410260000e+00
+ENERGY -1.526609724597e+02
+FORCES  3.1238000000e-03 -1.1599000000e-03 -1.4059900000e-02 -2.7946000000e-03  1.3313000000e-03  9.1700000000e-03  2.1172000000e-03  1.2414000000e-03  3.2470000000e-04  1.8739000000e-03 -6.0190000000e-04  2.0585000000e-03 -1.9021000000e-03 -4.9878000000e-03  1.2056000000e-03 -2.4181000000e-03  4.1769000000e-03  1.3010000000e-03
+
+JOB 22
+COORDS  1.1975500000e+00  7.2521600000e-01 -2.6710100000e-01  2.5128100000e-01  5.9702300000e-01 -2.0097200000e-01  1.5220300000e+00  5.8050300000e-01  6.2172000000e-01 -1.1487910000e+00 -6.5098700000e-01  1.7450500000e-01 -1.4541520000e+00 -1.4976440000e+00 -1.5131500000e-01 -1.0936880000e+00 -7.6467800000e-01  1.1233300000e+00
+ENERGY -1.526569986863e+02
+FORCES -1.0667800000e-02 -7.6545000000e-03  3.3124000000e-03  5.5127000000e-03  5.8549000000e-03  1.2289000000e-03 -1.3570000000e-03  1.9460000000e-04 -2.0151000000e-03  4.7127000000e-03 -3.0159000000e-03 -1.0027000000e-03  6.7800000000e-04  3.2985000000e-03  3.1891000000e-03  1.1214000000e-03  1.3224000000e-03 -4.7126000000e-03
+
+JOB 23
+COORDS  1.7938200000e-01  4.0553200000e-01 -1.3642510000e+00  3.5550700000e-01  3.4004500000e-01 -4.2567600000e-01  2.2446000000e-02 -4.9678400000e-01 -1.6425090000e+00 -1.3289700000e-01 -3.1613800000e-01  1.2987130000e+00 -9.3007900000e-01  3.8454000000e-02  1.6924080000e+00 -2.0818200000e-01 -1.2631680000e+00  1.4157510000e+00
+ENERGY -1.526590102304e+02
+FORCES -1.7732000000e-03 -6.4429000000e-03  1.2876700000e-02  2.1581000000e-03  3.3349000000e-03 -7.5133000000e-03  3.4730000000e-04  2.0312000000e-03  1.4820000000e-04 -4.2224000000e-03 -6.8210000000e-04 -3.2180000000e-03  3.8524000000e-03 -2.7489000000e-03 -1.2516000000e-03 -3.6220000000e-04  4.5079000000e-03 -1.0419000000e-03
+
+JOB 24
+COORDS -5.1930000000e-03 -8.9150900000e-01 -1.1080480000e+00  9.0323400000e-01 -9.4025000000e-01 -1.4057330000e+00  2.5248000000e-02 -3.2650200000e-01 -3.3599100000e-01 -8.7601000000e-02  8.8596300000e-01  1.0407560000e+00 -2.4742900000e-01  2.8225300000e-01  1.7661670000e+00  8.4455400000e-01  1.0944160000e+00  1.1029470000e+00
+ENERGY -1.526588819112e+02
+FORCES  5.4030000000e-04  9.6883000000e-03  9.1244000000e-03 -2.4053000000e-03  1.2939000000e-03  2.4277000000e-03  3.3121000000e-03 -9.1250000000e-03 -6.2790000000e-03  1.7243000000e-03 -4.9180000000e-04  2.9806000000e-03  1.8396000000e-03  2.3053000000e-03 -5.8894000000e-03 -5.0111000000e-03 -3.6707000000e-03 -2.3643000000e-03
+
+JOB 25
+COORDS  1.2319000000e-01 -6.3389500000e-01 -1.2206090000e+00  1.5655300000e-01  1.6860100000e-01 -1.7412990000e+00 -7.9862800000e-01 -8.9132300000e-01 -1.2352510000e+00 -5.5681000000e-02  5.9992600000e-01  1.3230610000e+00  4.0324000000e-02 -5.5802000000e-02  6.3238400000e-01 -4.3921300000e-01  1.3582040000e+00  8.8243700000e-01
+ENERGY -1.526580262814e+02
+FORCES -2.3443000000e-03  3.9212000000e-03 -2.4577000000e-03 -1.3055000000e-03 -3.6866000000e-03  3.5190000000e-03  5.2938000000e-03  3.0292000000e-03  2.7425000000e-03  1.4482000000e-03 -3.9117000000e-03 -1.2886500000e-02 -3.8376000000e-03  2.5495000000e-03  8.2471000000e-03  7.4540000000e-04 -1.9016000000e-03  8.3560000000e-04
+
+JOB 26
+COORDS  1.8096000000e-01 -1.3013470000e+00  1.9831000000e-01 -4.4308900000e-01 -1.6779180000e+00  8.1878500000e-01  9.6686200000e-01 -1.8397290000e+00  2.9176500000e-01 -2.4698000000e-01  1.4002240000e+00 -2.3837000000e-01  6.6188500000e-01  1.6446710000e+00 -4.1284900000e-01 -2.2002300000e-01  4.5209100000e-01 -1.0972100000e-01
+ENERGY -1.526599024163e+02
+FORCES  1.6981000000e-03  2.1554000000e-03  1.3980000000e-03  3.6578000000e-03  2.1563000000e-03 -3.2238000000e-03 -4.3581000000e-03  1.4065000000e-03  4.3040000000e-04  5.8408000000e-03 -1.2757200000e-02  1.1541000000e-03 -2.1455000000e-03 -2.2480000000e-04  3.5020000000e-04 -4.6929000000e-03  7.2639000000e-03 -1.0880000000e-04
+
+JOB 27
+COORDS  8.1039400000e-01 -9.2022500000e-01 -5.0575400000e-01  4.7262100000e-01 -1.6870270000e+00 -9.6852300000e-01  1.7596610000e+00 -9.7127400000e-01 -6.1763900000e-01 -8.7435600000e-01  9.7398400000e-01  6.0153800000e-01 -8.8211800000e-01  1.6055080000e+00 -1.1773200000e-01 -3.6424800000e-01  2.3610300000e-01  2.6754200000e-01
+ENERGY -1.526606923155e+02
+FORCES  5.0080000000e-04  1.6668000000e-03  1.1400000000e-03  2.4535000000e-03  3.9598000000e-03  2.0255000000e-03 -4.6237000000e-03 -1.4221000000e-03 -1.0160000000e-03  8.5312000000e-03 -6.8946000000e-03 -7.1305000000e-03 -2.3600000000e-05 -1.5035000000e-03  1.8993000000e-03 -6.8382000000e-03  4.1935000000e-03  3.0817000000e-03
+
+JOB 28
+COORDS -1.0845540000e+00 -2.9951000000e-02  9.2202400000e-01 -1.1608860000e+00  8.0446400000e-01  1.3847970000e+00 -6.4926300000e-01  1.9118600000e-01  9.8706000000e-02  1.0284480000e+00  8.5870000000e-03 -9.3783900000e-01  1.5767890000e+00  2.2068700000e-01 -1.8247900000e-01  1.0845300000e+00 -9.4382900000e-01 -1.0152330000e+00
+ENERGY -1.526600917697e+02
+FORCES  6.1364000000e-03  3.3865000000e-03 -8.2660000000e-03  1.9313000000e-03 -2.6140000000e-03 -2.0026000000e-03 -6.3160000000e-03 -7.0800000000e-04  7.7950000000e-03  2.3313000000e-03 -5.0028000000e-03  5.8188000000e-03 -3.4957000000e-03 -1.3390000000e-04 -3.7219000000e-03 -5.8740000000e-04  5.0722000000e-03  3.7670000000e-04
+
+JOB 29
+COORDS  2.0715500000e-01 -5.3219300000e-01 -1.3258060000e+00 -1.1765600000e-01 -1.9508000000e-01 -4.9089100000e-01  8.5658800000e-01 -1.1917520000e+00 -1.0819820000e+00 -2.5522200000e-01  5.3551600000e-01  1.2094080000e+00  3.7460500000e-01  1.2281380000e+00  1.4089680000e+00 -3.2413200000e-01  3.2685000000e-02  2.0209770000e+00
+ENERGY -1.526606963186e+02
+FORCES -8.4410000000e-04  2.7615000000e-03  1.3008300000e-02  1.0522000000e-03 -2.9502000000e-03 -8.8646000000e-03 -1.5837000000e-03  1.6771000000e-03 -5.9020000000e-04  2.9957000000e-03 -2.4210000000e-04 -1.1990000000e-04 -3.1161000000e-03 -4.0986000000e-03  2.8230000000e-04  1.4961000000e-03  2.8524000000e-03 -3.7159000000e-03
+
+JOB 30
+COORDS -7.0351800000e-01  8.6876900000e-01  8.9050500000e-01 -8.9951100000e-01  4.0943000000e-01  1.7071000000e+00 -3.5835100000e-01  1.9017700000e-01  3.1032900000e-01  6.3506400000e-01 -8.2379400000e-01 -9.0540900000e-01  1.3424110000e+00 -1.1052650000e+00 -3.2518000000e-01  1.0367930000e+00 -1.6446800000e-01 -1.4712140000e+00
+ENERGY -1.526608364332e+02
+FORCES  3.6804000000e-03 -9.4870000000e-03 -7.0049000000e-03  1.8367000000e-03  3.1790000000e-04 -3.0163000000e-03 -3.1672000000e-03  7.1801000000e-03  8.4162000000e-03  4.6581000000e-03  3.2237000000e-03 -3.1990000000e-04 -4.9458000000e-03  2.3946000000e-03 -1.8472000000e-03 -2.0622000000e-03 -3.6293000000e-03  3.7722000000e-03
+
+JOB 31
+COORDS -3.1292900000e-01 -6.7818000000e-02  1.3168430000e+00  2.0445700000e-01 -8.7312300000e-01  1.3221380000e+00 -1.0824900000e-01  3.5442200000e-01  2.1511400000e+00  2.9509100000e-01  3.6503000000e-02 -1.4029830000e+00  1.0851000000e-01  9.3437700000e-01 -1.6772880000e+00  5.7099000000e-02  1.4369000000e-02 -4.7610500000e-01
+ENERGY -1.526593078422e+02
+FORCES  3.5149000000e-03  7.7230000000e-04  9.2020000000e-04 -2.5437000000e-03  6.2710000000e-03 -2.9685000000e-03 -9.8810000000e-04 -3.3323000000e-03 -3.1382000000e-03 -4.4125000000e-03  4.7375000000e-03  1.0861900000e-02  7.2090000000e-04 -2.3016000000e-03  5.9630000000e-04  3.7086000000e-03 -6.1469000000e-03 -6.2717000000e-03
+
+JOB 32
+COORDS -2.4159000000e-01 -1.2289260000e+00  7.1473200000e-01  5.4989000000e-02 -3.8640200000e-01  3.7060200000e-01 -1.0366840000e+00 -1.0212150000e+00  1.2055620000e+00  2.7946800000e-01  1.0962700000e+00 -7.1286900000e-01 -5.2117600000e-01  1.6093030000e+00 -6.0333500000e-01  9.3906000000e-01  1.7354240000e+00 -9.8241300000e-01
+ENERGY -1.526593165662e+02
+FORCES  1.9934000000e-03  1.0136100000e-02 -4.9354000000e-03 -4.1762000000e-03 -6.5293000000e-03  5.5823000000e-03  2.1865000000e-03  6.5510000000e-04 -2.2869000000e-03  7.6300000000e-05  7.3930000000e-04  1.7060000000e-04  4.3996000000e-03 -2.9431000000e-03  7.4770000000e-04 -4.4798000000e-03 -2.0582000000e-03  7.2180000000e-04
+
+JOB 33
+COORDS -6.4577600000e-01  1.2097960000e+00  8.0915000000e-02 -1.5012480000e+00  8.1731600000e-01 -9.3321000000e-02 -7.0357900000e-01  1.5198800000e+00  9.8465100000e-01  7.6328700000e-01 -1.2103520000e+00 -1.2186600000e-01  1.1508100000e-01 -1.8939660000e+00 -2.9137400000e-01  2.4534700000e-01 -4.1702100000e-01  1.4504000000e-02
+ENERGY -1.526590342618e+02
+FORCES -2.6171000000e-03  9.8930000000e-04  2.4300000000e-03  6.6531000000e-03 -9.3820000000e-04  1.6433000000e-03  1.0000000000e-07 -2.7475000000e-03 -5.0790000000e-03 -6.6317000000e-03  1.0394100000e-02  2.3420000000e-04  6.3670000000e-04  3.6223000000e-03  6.6520000000e-04  1.9589000000e-03 -1.1320000000e-02  1.0620000000e-04
+
+JOB 34
+COORDS  1.4144000000e-01  8.7376100000e-01 -1.0973260000e+00 -4.4381000000e-01  5.4143900000e-01 -4.1668100000e-01 -4.4069200000e-01  1.2950680000e+00 -1.7296660000e+00 -7.5406000000e-02 -8.3083100000e-01  1.0440200000e+00 -6.4078800000e-01 -8.4060000000e-01  1.8163410000e+00  4.4489300000e-01 -1.6309210000e+00  1.1173510000e+00
+ENERGY -1.526576436838e+02
+FORCES -2.4765000000e-03 -4.8956000000e-03  6.0712000000e-03 -1.5483000000e-03  6.4205000000e-03 -5.7740000000e-03  1.1771000000e-03 -2.4106000000e-03  3.5182000000e-03  3.8490000000e-03 -2.8591000000e-03 -8.7220000000e-04  2.0240000000e-03  7.7940000000e-04 -4.6177000000e-03 -3.0255000000e-03  2.9655000000e-03  1.6745000000e-03
+
+JOB 35
+COORDS  1.6181600000e-01  1.3883320000e+00 -3.1826100000e-01 -5.1601000000e-02  5.3738400000e-01  6.4588000000e-02  1.0126400000e-01  2.0026180000e+00  4.1332500000e-01 -8.7380000000e-02 -1.3348860000e+00  2.5216800000e-01 -6.1513100000e-01 -1.6307690000e+00 -4.8956100000e-01 -5.1576900000e-01 -1.7159160000e+00  1.0186740000e+00
+ENERGY -1.526606185271e+02
+FORCES -2.7220000000e-04 -1.0324900000e-02  4.8964000000e-03 -1.3101000000e-03  1.0819100000e-02 -2.6544000000e-03 -1.5840000000e-04 -3.2144000000e-03 -1.3772000000e-03 -2.2666000000e-03 -2.0813000000e-03 -1.6850000000e-03  2.2681000000e-03  2.0885000000e-03  4.9043000000e-03  1.7392000000e-03  2.7130000000e-03 -4.0841000000e-03
+
+JOB 36
+COORDS -3.4781000000e-02  3.7313500000e-01  1.4162680000e+00  1.4630200000e-01  2.5886500000e-01  4.8332500000e-01 -6.4920200000e-01 -3.2925400000e-01  1.6292680000e+00  5.4430000000e-02 -3.8362800000e-01 -1.3339740000e+00  7.7477400000e-01 -1.0965400000e-01 -1.9016660000e+00 -5.6477800000e-01  3.4573400000e-01 -1.3630380000e+00
+ENERGY -1.526588490389e+02
+FORCES  7.7370000000e-04 -7.9830000000e-03 -9.7059000000e-03 -3.5634000000e-03  7.3684000000e-03  5.3143000000e-03  1.1446000000e-03  2.8664000000e-03 -2.5730000000e-04  1.6920000000e-04  2.2403000000e-03 -3.5166000000e-03 -4.0845000000e-03 -6.4330000000e-04  3.5234000000e-03  5.5603000000e-03 -3.8488000000e-03  4.6421000000e-03
+
+JOB 37
+COORDS -9.2398900000e-01 -1.1183840000e+00 -1.5229700000e-01 -3.3170400000e-01 -3.6651800000e-01 -1.6361000000e-01 -4.2199700000e-01 -1.8129410000e+00  2.7411400000e-01  8.1042400000e-01  1.0918500000e+00  8.4453000000e-02  7.5051300000e-01  1.2820040000e+00  1.0206600000e+00  1.7199920000e+00  1.2857470000e+00 -1.4209200000e-01
+ENERGY -1.526608627138e+02
+FORCES  9.3992000000e-03  7.0861000000e-03  4.1680000000e-04 -7.0308000000e-03 -6.8151000000e-03  1.5550000000e-03 -1.2338000000e-03  2.3051000000e-03 -7.8250000000e-04  1.9613000000e-03 -2.0250000000e-04  1.2412000000e-03  1.0111000000e-03 -2.0266000000e-03 -5.0624000000e-03 -4.1071000000e-03 -3.4700000000e-04  2.6319000000e-03
+
+JOB 38
+COORDS  4.1134900000e-01 -1.2653910000e+00 -3.5789700000e-01  1.3657720000e+00 -1.2993790000e+00 -2.9345600000e-01  1.0813700000e-01 -1.9938770000e+00  1.8395400000e-01 -4.3473000000e-01  1.3680820000e+00  3.1998000000e-01  6.1276000000e-02  6.4173400000e-01 -5.7681000000e-02 -1.1655960000e+00  9.4900900000e-01  7.7434200000e-01
+ENERGY -1.526589867073e+02
+FORCES  1.0780000000e-04 -1.8839000000e-03  3.9329000000e-03 -5.4891000000e-03  1.7657000000e-03  1.8910000000e-04  1.9475000000e-03  3.1762000000e-03 -2.6595000000e-03  3.3370000000e-04 -1.3558100000e-02 -2.0737000000e-03  1.9425000000e-03  8.3779000000e-03  8.5100000000e-04  1.1576000000e-03  2.1222000000e-03 -2.3970000000e-04
+
+JOB 39
+COORDS -9.3976900000e-01 -8.2954700000e-01  7.2590400000e-01 -1.7082800000e+00 -3.4389300000e-01  1.0255080000e+00 -3.5128400000e-01 -1.5825300000e-01  3.8053300000e-01  9.0486800000e-01  7.2070100000e-01 -7.3251000000e-01  1.6753070000e+00  6.4921200000e-01 -1.6899800000e-01  9.9131700000e-01  1.5778990000e+00 -1.1496070000e+00
+ENERGY -1.526599740890e+02
+FORCES  4.0392000000e-03  7.9710000000e-03 -6.0767000000e-03  2.6658000000e-03 -8.1350000000e-04 -1.3419000000e-03 -3.1943000000e-03 -5.6954000000e-03  7.9092000000e-03  1.5790000000e-03  1.9902000000e-03 -7.4880000000e-04 -5.8137000000e-03  6.8040000000e-04 -1.9862000000e-03  7.2410000000e-04 -4.1326000000e-03  2.2445000000e-03
+
+JOB 40
+COORDS  3.6996000000e-01  9.2573900000e-01 -9.8348500000e-01  6.5958000000e-01  1.6614890000e+00 -4.4401800000e-01 -4.9972600000e-01  1.1813240000e+00 -1.2909810000e+00 -3.5537500000e-01 -1.0564850000e+00  9.7666500000e-01 -4.7252000000e-02 -4.3781000000e-01  1.6388840000e+00 -4.1071000000e-01 -5.3978800000e-01  1.7280300000e-01
+ENERGY -1.526570879522e+02
+FORCES  3.6540000000e-04  4.5730000000e-03  1.6670000000e-03 -2.1409000000e-03 -4.0003000000e-03 -2.0958000000e-03  3.9027000000e-03 -3.9864000000e-03  4.1747000000e-03  5.5448000000e-03  9.7232000000e-03 -6.6024000000e-03 -1.1478000000e-03 -1.7105000000e-03 -9.9600000000e-04 -6.5242000000e-03 -4.5989000000e-03  3.8525000000e-03
+
+JOB 41
+COORDS  1.0966100000e+00 -6.1097700000e-01  5.3963800000e-01  1.4295160000e+00 -1.5010890000e+00  4.2515500000e-01  1.8793510000e+00 -6.0025000000e-02  5.3863700000e-01 -1.2216500000e+00  5.9731700000e-01 -5.4090900000e-01 -1.0331470000e+00  1.5285550000e+00 -6.5707000000e-01 -3.8007300000e-01  2.1039700000e-01 -2.9951300000e-01
+ENERGY -1.526604659840e+02
+FORCES  1.7394000000e-03 -1.8291000000e-03 -7.0400000000e-04 -3.1420000000e-04  4.8562000000e-03  1.0152000000e-03 -4.2999000000e-03 -2.6304000000e-03 -7.1070000000e-04  9.5941000000e-03 -3.2375000000e-03  4.3396000000e-03  6.2860000000e-04 -2.9777000000e-03  6.9330000000e-04 -7.3480000000e-03  5.8184000000e-03 -4.6334000000e-03
+
+JOB 42
+COORDS -1.0878410000e+00  8.2088700000e-01  2.0728900000e-01 -2.0114700000e+00  9.0348400000e-01  4.4460600000e-01 -1.0036340000e+00  1.3184050000e+00 -6.0611000000e-01  1.1673370000e+00 -8.9187800000e-01 -1.3281100000e-01  1.3942600000e+00 -6.8802400000e-01 -1.0401040000e+00  3.5396100000e-01 -4.1244800000e-01  2.4664000000e-02
+ENERGY -1.526596408584e+02
+FORCES -2.7178000000e-03  5.9660000000e-04 -7.3090000000e-04  4.1842000000e-03  1.1682000000e-03 -2.1134000000e-03  1.5380000000e-04 -3.9793000000e-03  3.6324000000e-03 -8.3498000000e-03  5.7023000000e-03  1.4970000000e-04 -1.4340000000e-03  3.8580000000e-04  2.6560000000e-03  8.1635000000e-03 -3.8735000000e-03 -3.5938000000e-03
+
+JOB 43
+COORDS -1.3604300000e-01 -6.7666600000e-01 -1.2954720000e+00  9.0460000000e-03 -2.2834500000e-01 -4.6229200000e-01  6.1447300000e-01 -4.2865100000e-01 -1.8353290000e+00  9.6316000000e-02  6.6503500000e-01  1.2207910000e+00  4.9973500000e-01  8.1279100000e-01  2.0761580000e+00 -5.6521500000e-01 -8.0910000000e-03  1.3805070000e+00
+ENERGY -1.526586099285e+02
+FORCES  5.6591000000e-03  6.8324000000e-03  5.2373000000e-03 -6.4764000000e-03 -6.2191000000e-03 -2.0821000000e-03 -2.1978000000e-03 -1.0396000000e-03  1.2472000000e-03  4.0300000000e-04 -1.7644000000e-03  3.7483000000e-03 -3.1409000000e-03 -6.6330000000e-04 -3.1861000000e-03  5.7530000000e-03  2.8540000000e-03 -4.9647000000e-03
+
+JOB 44
+COORDS -5.2688700000e-01  2.1015400000e-01 -1.3399130000e+00 -1.9494400000e-01 -2.0092600000e-01 -5.4175300000e-01 -6.5639300000e-01 -5.1723400000e-01 -1.9484900000e+00  5.4805900000e-01 -1.6276000000e-01  1.2766190000e+00  7.6874800000e-01  5.9585300000e-01  1.8170210000e+00 -2.3102500000e-01 -5.3392700000e-01  1.6907390000e+00
+ENERGY -1.526597640072e+02
+FORCES  5.0949000000e-03 -2.4300000000e-03  6.8171000000e-03 -6.9071000000e-03 -1.8809000000e-03 -7.9245000000e-03  7.4150000000e-04  1.6720000000e-03  3.5998000000e-03 -1.0900000000e-03  5.4058000000e-03  2.7656000000e-03 -1.2708000000e-03 -4.4906000000e-03 -7.4910000000e-04  3.4315000000e-03  1.7237000000e-03 -4.5089000000e-03
+
+JOB 45
+COORDS  8.5673600000e-01 -1.0137540000e+00 -3.9022100000e-01  5.0339600000e-01 -1.8835510000e+00 -5.7686200000e-01  1.6001800000e+00 -1.1762520000e+00  1.9039700000e-01 -8.7711500000e-01  1.1425370000e+00  3.5683600000e-01 -2.4933900000e-01  4.6543500000e-01  1.0452500000e-01 -1.5833430000e+00  6.6488400000e-01  7.9194600000e-01
+ENERGY -1.526611626838e+02
+FORCES  3.3560000000e-04 -3.0218000000e-03  1.1500000000e-03  2.3123000000e-03  3.8442000000e-03  1.7791000000e-03 -4.2997000000e-03  1.8750000000e-04 -2.8359000000e-03  4.9497000000e-03 -1.0150200000e-02 -2.1576000000e-03 -5.2454000000e-03  8.0907000000e-03  3.3810000000e-03  1.9474000000e-03  1.0495000000e-03 -1.3167000000e-03
+
+JOB 46
+COORDS  5.2595400000e-01  9.6028300000e-01  8.5333700000e-01  8.6327700000e-01  1.6341820000e+00  2.6316300000e-01  3.4401100000e-01  1.4255370000e+00  1.6698340000e+00 -5.9114500000e-01 -1.0445870000e+00 -8.9944300000e-01  2.5380400000e-01 -1.4900180000e+00 -8.3711600000e-01 -4.8440900000e-01 -2.5266500000e-01 -3.7247100000e-01
+ENERGY -1.526606208903e+02
+FORCES  4.0950000000e-04  3.2466000000e-03  1.9534000000e-03 -2.5815000000e-03 -3.9806000000e-03  2.7884000000e-03  1.6869000000e-03 -1.3633000000e-03 -4.2921000000e-03  6.1411000000e-03  5.1891000000e-03  8.2862000000e-03 -2.4616000000e-03  5.5030000000e-04 -1.4623000000e-03 -3.1943000000e-03 -3.6420000000e-03 -7.2736000000e-03
+
+JOB 47
+COORDS -1.2488830000e+00 -3.7485200000e-01  4.9432900000e-01 -1.2409050000e+00 -3.3217900000e-01  1.4505440000e+00 -2.0387480000e+00  1.0196900000e-01  2.3940500000e-01  1.3527110000e+00  3.2238800000e-01 -5.0723000000e-01  4.5175300000e-01  1.9116100000e-01 -2.1179000000e-01  1.2699490000e+00  8.4436500000e-01 -1.3053050000e+00
+ENERGY -1.526612525523e+02
+FORCES -2.6051000000e-03  1.1461000000e-03  3.0213000000e-03 -4.4860000000e-04  4.0530000000e-04 -5.3110000000e-03  4.2403000000e-03 -1.9997000000e-03  1.5102000000e-03 -1.0439500000e-02 -1.8215000000e-03  1.1502000000e-03  9.9750000000e-03  3.7544000000e-03 -2.9070000000e-03 -7.2220000000e-04 -1.4845000000e-03  2.5362000000e-03
+
+JOB 48
+COORDS  1.1056900000e+00 -1.0052020000e+00  5.7530000000e-03  4.7798100000e-01 -2.8358000000e-01  4.4147000000e-02  5.7362800000e-01 -1.7924930000e+00  1.2113800000e-01 -9.8314200000e-01  1.0018180000e+00  1.9796000000e-02 -1.0960450000e+00  1.3802670000e+00 -8.5213400000e-01 -1.8596280000e+00  7.0945500000e-01  2.6985100000e-01
+ENERGY -1.526610960992e+02
+FORCES -9.6533000000e-03  5.7051000000e-03  1.0732000000e-03  7.8024000000e-03 -6.7474000000e-03 -1.0715000000e-03  1.2334000000e-03  2.2219000000e-03 -3.0920000000e-04 -3.6676000000e-03  1.7400000000e-05 -2.3092000000e-03  9.1100000000e-05 -2.4346000000e-03  4.6074000000e-03  4.1941000000e-03  1.2375000000e-03 -1.9907000000e-03
+
+JOB 49
+COORDS  5.3543800000e-01  1.1745680000e+00  7.4687600000e-01  1.4828070000e+00  1.0442740000e+00  7.8866400000e-01  1.9018900000e-01  3.3234800000e-01  4.5073500000e-01 -5.1492500000e-01 -1.0860960000e+00 -7.0959000000e-01 -9.9450000000e-01 -1.8009010000e+00 -2.9090900000e-01 -1.0047880000e+00 -9.0606100000e-01 -1.5119940000e+00
+ENERGY -1.526615496325e+02
+FORCES -9.4150000000e-04 -8.6968000000e-03 -5.2640000000e-03 -2.9072000000e-03  1.1240000000e-04 -1.8070000000e-04  3.5104000000e-03  6.9527000000e-03  6.6283000000e-03 -3.5764000000e-03  3.0150000000e-04 -2.9236000000e-03  2.2150000000e-03  3.9015000000e-03 -2.0500000000e-03  1.6998000000e-03 -2.5713000000e-03  3.7900000000e-03
+
+JOB 50
+COORDS  3.0458700000e-01  1.3608840000e+00 -5.4969200000e-01  8.5305000000e-02  4.5040100000e-01 -3.5178300000e-01  8.1571400000e-01  1.6540540000e+00  2.0465000000e-01 -2.7325900000e-01 -1.2897300000e+00  4.6668000000e-01 -9.7208200000e-01 -1.0048750000e+00  1.0555230000e+00 -3.9997000000e-01 -2.2348430000e+00  3.8339100000e-01
+ENERGY -1.526606436518e+02
+FORCES  1.5494000000e-03 -8.8235000000e-03  3.8992000000e-03 -9.4700000000e-04  9.2019000000e-03 -5.5420000000e-04 -2.1834000000e-03 -5.7000000000e-04 -1.9247000000e-03 -2.1769000000e-03 -3.2209000000e-03  2.2740000000e-04  4.1618000000e-03 -7.8890000000e-04 -3.6526000000e-03 -4.0400000000e-04  4.2016000000e-03  2.0049000000e-03
+
+JOB 51
+COORDS  3.7459900000e-01  5.3471700000e-01  1.3358740000e+00  8.7804000000e-02  1.9663200000e-01  4.8753600000e-01  7.1309700000e-01 -2.3223100000e-01  1.7978710000e+00 -3.1013800000e-01 -4.7116200000e-01 -1.3016970000e+00 -9.2961100000e-01  2.2183200000e-01 -1.5302660000e+00 -8.2805600000e-01 -1.2755750000e+00 -1.3318930000e+00
+ENERGY -1.526608061938e+02
+FORCES -1.9000000000e-04 -6.9312000000e-03 -8.9960000000e-03 -3.3300000000e-04  5.6020000000e-03  9.1412000000e-03 -1.3792000000e-03  1.9584000000e-03 -1.3294000000e-03 -4.2164000000e-03 -1.0575000000e-03 -2.7549000000e-03  3.5603000000e-03 -3.9494000000e-03  3.3482000000e-03  2.5583000000e-03  4.3778000000e-03  5.9090000000e-04
+
+JOB 52
+COORDS  1.3922130000e+00  4.4837400000e-01  2.2123700000e-01  1.5222130000e+00  1.2380870000e+00  7.4629500000e-01  4.5137000000e-01  2.7932700000e-01  2.7093100000e-01 -1.3001280000e+00 -4.4795300000e-01 -2.9770100000e-01 -1.2581810000e+00 -1.3803270000e+00 -8.5215000000e-02 -2.0657860000e+00 -1.2738500000e-01  1.7899200000e-01
+ENERGY -1.526606219208e+02
+FORCES -9.3461000000e-03 -2.8270000000e-04 -1.0557000000e-03 -1.7836000000e-03 -2.5850000000e-03 -1.5659000000e-03  1.0122600000e-02  2.5454000000e-03  4.0916000000e-03 -3.3490000000e-03 -3.7744000000e-03  4.9910000000e-04 -3.0400000000e-04  5.5606000000e-03 -2.6170000000e-04  4.6599000000e-03 -1.4640000000e-03 -1.7074000000e-03
+
+JOB 53
+COORDS -7.7199100000e-01  1.1223710000e+00  3.6174900000e-01 -9.1951600000e-01  1.3170510000e+00  1.2872580000e+00 -1.6324660000e+00  1.2241240000e+00 -4.5019000000e-02  8.8613300000e-01 -1.1300510000e+00 -4.3589800000e-01  6.5757100000e-01 -1.9355860000e+00  2.7895000000e-02  2.1601500000e-01 -5.0092300000e-01 -1.6874300000e-01
+ENERGY -1.526610638301e+02
+FORCES -2.8328000000e-03  2.6381000000e-03  2.3423000000e-03 -2.6180000000e-04 -1.1225000000e-03 -4.7748000000e-03  4.2577000000e-03 -1.1309000000e-03  2.7086000000e-03 -6.1816000000e-03  5.7786000000e-03  3.9370000000e-03  1.1130000000e-04  3.1001000000e-03 -9.5730000000e-04  4.9071000000e-03 -9.2634000000e-03 -3.2558000000e-03
+
+JOB 54
+COORDS -5.0007800000e-01  1.2918710000e+00  2.7438800000e-01 -5.3796100000e-01  1.9767850000e+00  9.4198800000e-01 -4.5188300000e-01  1.7674670000e+00 -5.5490000000e-01  5.1463900000e-01 -1.4008090000e+00 -2.1636600000e-01  7.6517800000e-01 -1.4400290000e+00 -1.1393630000e+00 -2.8250000000e-03 -5.9897600000e-01 -1.4201800000e-01
+ENERGY -1.526593850358e+02
+FORCES  1.4128000000e-03  3.5459000000e-03  2.1726000000e-03 -1.0360000000e-04 -1.5158000000e-03 -4.2213000000e-03  4.1000000000e-05 -3.2543000000e-03  3.6542000000e-03 -2.7116000000e-03  8.1308000000e-03  1.3180000000e-04 -1.1010000000e-03  1.1550000000e-03  2.8028000000e-03  2.4623000000e-03 -8.0616000000e-03 -4.5402000000e-03
+
+JOB 55
+COORDS -1.1861000000e-01 -1.2993830000e+00  5.6267900000e-01  5.7079000000e-02 -1.2344870000e+00  1.5013770000e+00 -8.6994900000e-01 -1.8890520000e+00  4.9935000000e-01  1.8070400000e-01  1.3834040000e+00 -5.6643500000e-01  5.1810000000e-03  4.6707600000e-01 -3.5250300000e-01 -6.5016000000e-02  1.4660410000e+00 -1.4878600000e+00
+ENERGY -1.526617333326e+02
+FORCES -1.7681000000e-03 -1.5872000000e-03  4.4337000000e-03 -1.5967000000e-03 -1.1836000000e-03 -4.5976000000e-03  3.6078000000e-03  2.6959000000e-03  7.0320000000e-04 -1.4408000000e-03 -8.8404000000e-03  5.3810000000e-04  9.1700000000e-04  1.0006400000e-02 -4.0328000000e-03  2.8080000000e-04 -1.0911000000e-03  2.9555000000e-03
+
+JOB 56
+COORDS  1.1605740000e+00  9.7333900000e-01 -2.2986900000e-01  3.5724400000e-01  5.4381300000e-01  6.4069000000e-02  1.7490390000e+00  2.5298100000e-01 -4.5575500000e-01 -1.1092520000e+00 -8.6609800000e-01  2.7238400000e-01 -1.9911960000e+00 -7.0218200000e-01 -6.1590000000e-02 -8.4600100000e-01 -1.6893140000e+00 -1.3901100000e-01
+ENERGY -1.526604842443e+02
+FORCES -6.2130000000e-03 -8.0509000000e-03  1.8375000000e-03  7.2546000000e-03  6.2114000000e-03 -1.7076000000e-03 -1.5673000000e-03  1.8830000000e-03  2.9800000000e-04 -2.7958000000e-03 -2.8338000000e-03 -3.5735000000e-03  4.3315000000e-03 -1.4293000000e-03  1.4213000000e-03 -1.0100000000e-03  4.2196000000e-03  1.7242000000e-03
+
+JOB 57
+COORDS  1.2960450000e+00 -3.8821000000e-01  4.6749900000e-01  1.6176720000e+00 -1.2705190000e+00  2.8224700000e-01  2.0566830000e+00  7.6047000000e-02  8.1696700000e-01 -1.4054930000e+00  4.0757600000e-01 -5.3490200000e-01 -1.4856940000e+00  9.0575400000e-01  2.7849700000e-01 -5.6698100000e-01 -4.7299000000e-02 -4.5604500000e-01
+ENERGY -1.526600648423e+02
+FORCES  4.4450000000e-03  2.7440000000e-04  1.0376000000e-03 -1.7993000000e-03  4.5615000000e-03  4.3150000000e-04 -2.8667000000e-03 -3.1764000000e-03 -1.0034000000e-03  8.5211000000e-03 -5.3890000000e-04  6.0671000000e-03 -1.1899000000e-03 -5.2120000000e-04 -2.6415000000e-03 -7.1103000000e-03 -5.9940000000e-04 -3.8913000000e-03
+
+JOB 58
+COORDS  1.1218230000e+00 -9.9875000000e-01  3.6705900000e-01  3.6627900000e-01 -4.5191500000e-01  1.5175100000e-01  1.8593220000e+00 -5.7130600000e-01 -6.8394000000e-02 -1.1294190000e+00  9.6025800000e-01 -2.6584200000e-01 -1.4878860000e+00  2.1565600000e-01 -7.4885400000e-01 -6.2337600000e-01  1.4471070000e+00 -9.1632700000e-01
+ENERGY -1.526580663681e+02
+FORCES -3.6836000000e-03  8.0111000000e-03 -1.0228000000e-03  5.3400000000e-03 -7.9467000000e-03 -2.3063000000e-03 -2.8975000000e-03 -1.1896000000e-03  8.9350000000e-04 -3.0269000000e-03  2.3895000000e-03 -5.4792000000e-03  5.3915000000e-03  2.7782000000e-03  4.0136000000e-03 -1.1234000000e-03 -4.0425000000e-03  3.9011000000e-03
+
+JOB 59
+COORDS  4.2078700000e-01 -1.4756180000e+00 -3.4208600000e-01 -4.7191400000e-01 -1.1884890000e+00 -1.5005700000e-01  9.6898800000e-01 -7.2568300000e-01 -1.1121000000e-01 -3.4802700000e-01  1.3967100000e+00  2.7497000000e-01 -3.1993400000e-01  1.6977800000e+00  1.1831550000e+00 -1.2801140000e+00  1.3742420000e+00  5.8312000000e-02
+ENERGY -1.526572054214e+02
+FORCES -2.2005000000e-03  1.0436200000e-02  2.4311000000e-03  9.6400000000e-05 -3.5117000000e-03 -1.0971000000e-03  1.6806000000e-03 -5.5748000000e-03 -4.8710000000e-04 -4.0141000000e-03  2.3144000000e-03  1.9623000000e-03  8.8100000000e-05 -2.1843000000e-03 -4.3499000000e-03  4.3495000000e-03 -1.4797000000e-03  1.5408000000e-03
+
+JOB 60
+COORDS -9.5777000000e-01  9.1338700000e-01 -7.5478100000e-01 -1.6577130000e+00  1.4827510000e+00 -4.3519300000e-01 -5.4615300000e-01  5.7065600000e-01  3.8528000000e-02  9.7734800000e-01 -9.3307200000e-01  6.1750100000e-01  5.5375500000e-01 -1.5424630000e+00  1.2220210000e+00  1.3478440000e+00 -2.5417900000e-01  1.1814780000e+00
+ENERGY -1.526565650796e+02
+FORCES  2.2144000000e-03 -3.1545000000e-03  4.1922000000e-03  3.2855000000e-03 -2.8910000000e-03 -1.8130000000e-04 -5.0347000000e-03  7.2407000000e-03 -1.4213000000e-03  3.1146000000e-03 -3.3236000000e-03  3.8018000000e-03  1.4215000000e-03  4.1360000000e-03 -2.8880000000e-03 -5.0012000000e-03 -2.0078000000e-03 -3.5034000000e-03
+
+JOB 61
+COORDS  6.4023500000e-01  9.7393300000e-01  1.0083160000e+00  4.2174100000e-01  4.5463800000e-01  2.3447700000e-01  1.4037910000e+00  1.4875700000e+00  7.4489500000e-01 -6.8727500000e-01 -9.4716000000e-01 -8.8158400000e-01  2.6813000000e-02 -1.5165430000e+00 -1.1681380000e+00 -1.2333930000e+00 -8.3690200000e-01 -1.6599360000e+00
+ENERGY -1.526596039674e+02
+FORCES -2.1346000000e-03 -2.8236000000e-03 -5.9280000000e-03  7.1198000000e-03  5.1179000000e-03  5.6305000000e-03 -2.7797000000e-03 -2.4623000000e-03  4.4400000000e-05 -2.6093000000e-03 -3.2295000000e-03 -4.6683000000e-03 -2.6192000000e-03  4.7724000000e-03  1.5937000000e-03  3.0230000000e-03 -1.3749000000e-03  3.3276000000e-03
+
+JOB 62
+COORDS  6.8460300000e-01  1.0944490000e+00  8.8755000000e-01  4.6998000000e-01  4.4681800000e-01  2.1617700000e-01  2.7839200000e-01  7.5641400000e-01  1.6856460000e+00 -6.7422200000e-01 -1.0212750000e+00 -8.3211200000e-01 -3.6586700000e-01 -4.7814200000e-01 -1.5574780000e+00 -6.0064100000e-01 -1.9189070000e+00 -1.1562650000e+00
+ENERGY -1.526585173740e+02
+FORCES -5.4211000000e-03 -8.2260000000e-03 -1.2750000000e-04  3.5449000000e-03  7.0442000000e-03 -1.0277000000e-03  2.0878000000e-03  2.1185000000e-03 -1.4531000000e-03 -8.9300000000e-05 -3.5784000000e-03 -4.9221000000e-03  7.7790000000e-04 -1.7887000000e-03  6.6314000000e-03 -9.0020000000e-04  4.4305000000e-03  8.9900000000e-04
+
+JOB 63
+COORDS -1.5687600000e-01  1.0195990000e+00 -1.1664850000e+00  1.5259600000e-01  3.5947200000e-01 -5.4625100000e-01  5.3412000000e-01  1.6819080000e+00 -1.1767250000e+00  1.5426000000e-01 -9.9040300000e-01  1.1007960000e+00 -5.6001600000e-01 -5.0457200000e-01  1.5131190000e+00 -8.3712000000e-02 -1.9104310000e+00  1.2154730000e+00
+ENERGY -1.526613176145e+02
+FORCES  4.6515000000e-03 -3.8729000000e-03  3.9453000000e-03 -2.6527000000e-03  8.1497000000e-03 -5.1846000000e-03 -2.3548000000e-03 -2.3818000000e-03  5.1940000000e-04 -4.2736000000e-03 -3.8656000000e-03  3.0281000000e-03  4.0641000000e-03 -2.3362000000e-03 -2.9383000000e-03  5.6550000000e-04  4.3068000000e-03  6.3000000000e-04
+
+JOB 64
+COORDS  1.2519150000e+00 -1.2549400000e-01 -8.4168800000e-01  1.2336070000e+00 -1.0549160000e+00 -1.0698810000e+00  1.0683060000e+00  3.2736300000e-01 -1.6647550000e+00 -1.2799520000e+00  9.4056000000e-02  8.9003700000e-01 -4.1568600000e-01  2.9445000000e-01  5.3070700000e-01 -1.4852590000e+00  8.4112600000e-01  1.4521470000e+00
+ENERGY -1.526611756637e+02
+FORCES  2.1760000000e-04 -3.9220000000e-03 -5.8968000000e-03  5.2740000000e-04  4.7190000000e-03  4.2510000000e-04  6.4270000000e-04 -1.9854000000e-03  4.1655000000e-03  6.1471000000e-03  2.2275000000e-03 -1.3850000000e-03 -8.8887000000e-03  1.1625000000e-03  5.1750000000e-03  1.3539000000e-03 -2.2017000000e-03 -2.4838000000e-03
+
+JOB 65
+COORDS -5.5439200000e-01 -1.3759810000e+00  5.5828800000e-01 -1.1206300000e-01 -2.0760580000e+00  7.8216000000e-02 -3.3684800000e-01 -5.7894200000e-01  7.4930000000e-02  5.5328600000e-01  1.3441360000e+00 -4.5447600000e-01  5.7928300000e-01  1.2783770000e+00 -1.4090610000e+00 -2.1617500000e-01  1.8834330000e+00 -2.7193800000e-01
+ENERGY -1.526593648575e+02
+FORCES  5.5521000000e-03  4.6976000000e-03 -3.7416000000e-03 -1.5803000000e-03  2.5341000000e-03  1.1299000000e-03 -5.8421000000e-03 -7.9891000000e-03  1.4493000000e-03 -6.8520000000e-04  6.5086000000e-03 -2.8215000000e-03 -9.6800000000e-04 -1.4404000000e-03  5.3021000000e-03  3.5234000000e-03 -4.3108000000e-03 -1.3182000000e-03
+
+JOB 66
+COORDS -3.7679000000e-01  1.0272610000e+00  1.1383660000e+00 -1.6287300000e-01  5.7448100000e-01  3.2260700000e-01 -5.0275500000e-01  1.9403250000e+00  8.8014400000e-01  3.4197000000e-01 -9.8846700000e-01 -1.0756660000e+00 -8.4307000000e-02 -1.8298090000e+00 -9.1237900000e-01  1.2551850000e+00 -1.2128100000e+00 -1.2543840000e+00
+ENERGY -1.526615913290e+02
+FORCES  1.2736000000e-03 -1.7951000000e-03 -6.7526000000e-03 -2.5864000000e-03  6.9650000000e-03  7.3257000000e-03  7.3320000000e-04 -3.2118000000e-03  3.9330000000e-04  2.2960000000e-03 -6.0015000000e-03 -1.7300000000e-04  2.6481000000e-03  3.5511000000e-03 -1.3071000000e-03 -4.3644000000e-03  4.9230000000e-04  5.1360000000e-04
+
+JOB 67
+COORDS -9.3713100000e-01 -1.1136340000e+00 -4.1368200000e-01 -5.8037900000e-01 -1.1839190000e+00 -1.2991310000e+00 -1.8834760000e+00 -1.1998590000e+00 -5.2869100000e-01  9.8743600000e-01  1.1694390000e+00  4.2609800000e-01  1.3330630000e+00  1.0796860000e+00  1.3141960000e+00  3.6261300000e-01  4.4968800000e-01  3.3786400000e-01
+ENERGY -1.526614532359e+02
+FORCES -4.2504000000e-03 -1.6524000000e-03 -4.7564000000e-03 -2.0064000000e-03  7.4370000000e-04  4.6803000000e-03  4.3138000000e-03 -4.0430000000e-04 -3.1200000000e-04 -4.0408000000e-03 -5.6234000000e-03  2.2109000000e-03 -1.3482000000e-03  2.1540000000e-04 -2.8672000000e-03  7.3319000000e-03  6.7210000000e-03  1.0444000000e-03
+
+JOB 68
+COORDS -5.5145800000e-01 -6.1101600000e-01 -1.3861330000e+00 -5.2841600000e-01  7.1470000000e-03 -6.5567100000e-01 -1.2615160000e+00 -2.9555300000e-01 -1.9451790000e+00  5.8990400000e-01  5.1392100000e-01  1.3236690000e+00  3.6337400000e-01  3.5579900000e-01  2.2401370000e+00  7.6601700000e-01  1.4537040000e+00  1.2786910000e+00
+ENERGY -1.526584717306e+02
+FORCES -6.7830000000e-04  3.4261000000e-03  4.0554000000e-03 -3.2191000000e-03 -1.6883000000e-03 -8.3758000000e-03  2.7127000000e-03 -6.3960000000e-04  2.6108000000e-03  1.8581000000e-03  1.9482000000e-03  6.2333000000e-03  1.3911000000e-03  1.4574000000e-03 -3.9785000000e-03 -2.0645000000e-03 -4.5039000000e-03 -5.4520000000e-04
+
+JOB 69
+COORDS -7.5339600000e-01  2.1939100000e-01  1.3842610000e+00  3.9826000000e-02  7.1769900000e-01  1.1874850000e+00 -1.2042760000e+00  7.3895300000e-01  2.0498390000e+00  7.4494700000e-01 -2.4485100000e-01 -1.4722410000e+00  9.2277200000e-01  1.1707700000e-01 -6.0412900000e-01  4.0866600000e-01 -1.1245630000e+00 -1.3012080000e+00
+ENERGY -1.526524011445e+02
+FORCES -1.8960000000e-04  5.6173000000e-03  2.6858000000e-03 -9.9690000000e-04 -4.3763000000e-03 -2.3172000000e-03  1.9211000000e-03 -2.4362000000e-03 -3.0415000000e-03 -3.5001000000e-03 -3.5480000000e-03  5.4224000000e-03  1.9810000000e-04  1.6217000000e-03 -5.4260000000e-04  2.5674000000e-03  3.1214000000e-03 -2.2068000000e-03
+
+JOB 70
+COORDS -7.3266200000e-01 -6.6329800000e-01 -1.3339970000e+00 -6.3702400000e-01  7.3147000000e-02 -1.9379290000e+00  1.1799600000e-01 -7.2996000000e-01 -9.0021100000e-01  6.7680100000e-01  5.9959100000e-01  1.2785840000e+00  1.3255060000e+00  3.7956300000e-01  1.9471660000e+00  8.2796000000e-02  1.2118200000e+00  1.7128250000e+00
+ENERGY -1.526571792754e+02
+FORCES  5.3334000000e-03  4.0666000000e-03  2.6881000000e-03 -8.8600000000e-04 -2.6269000000e-03  1.7319000000e-03 -3.1657000000e-03 -2.4769000000e-03 -5.2869000000e-03 -1.9677000000e-03  2.4285000000e-03  5.1801000000e-03 -2.8382000000e-03  6.3620000000e-04 -3.2250000000e-03  3.5242000000e-03 -2.0275000000e-03 -1.0882000000e-03
+
+JOB 71
+COORDS  3.6992800000e-01  2.3612100000e-01  1.6205400000e+00  1.2130500000e-01  3.5487000000e-01  7.0385300000e-01  1.0005490000e+00  9.3582200000e-01  1.7907380000e+00 -4.1374300000e-01 -2.9906600000e-01 -1.5136790000e+00  2.2037900000e-01  3.6879000000e-01 -1.7746180000e+00 -6.9240000000e-01 -7.0010100000e-01 -2.3369370000e+00
+ENERGY -1.526565600366e+02
+FORCES -3.2800000000e-04  1.2980000000e-03 -4.3711000000e-03  3.8559000000e-03  3.0769000000e-03  5.9165000000e-03 -2.3117000000e-03 -2.6147000000e-03 -1.4544000000e-03 -1.6100000000e-05 -1.5962000000e-03 -6.6308000000e-03 -2.9548000000e-03 -2.4067000000e-03  3.6697000000e-03  1.7546000000e-03  2.2426000000e-03  2.8701000000e-03
+
+JOB 72
+COORDS  7.9785100000e-01  1.5071160000e+00 -1.2647200000e-01  1.4582830000e+00  8.4489300000e-01  7.7299000000e-02 -2.6037000000e-02  1.0211880000e+00 -1.6272300000e-01 -7.5201400000e-01 -1.4085690000e+00  6.4931000000e-02 -1.4370780000e+00 -2.0583750000e+00 -9.2139000000e-02 -7.1350400000e-01 -1.3259770000e+00  1.0177840000e+00
+ENERGY -1.526582934215e+02
+FORCES -1.6664000000e-03 -7.2597000000e-03 -1.3370000000e-03 -1.5292000000e-03  3.3647000000e-03  4.4450000000e-04  3.5639000000e-03  5.4699000000e-03  1.9129000000e-03 -3.6813000000e-03 -4.9974000000e-03  2.6169000000e-03  3.0985000000e-03  2.6658000000e-03  1.3163000000e-03  2.1450000000e-04  7.5670000000e-04 -4.9536000000e-03
+
+JOB 73
+COORDS -3.4106400000e-01 -9.6217000000e-01 -1.3007310000e+00  2.6138000000e-02 -6.4955400000e-01 -2.1275720000e+00 -1.1044660000e+00 -4.0445100000e-01 -1.1510710000e+00  3.5031100000e-01  9.1262000000e-01  1.4062290000e+00  1.1319090000e+00  5.7449900000e-01  9.6918200000e-01 -1.9903100000e-01  1.2417370000e+00  6.9479600000e-01
+ENERGY -1.526541417886e+02
+FORCES -3.2781000000e-03  1.6126000000e-03 -3.1261000000e-03 -1.0767000000e-03 -6.9890000000e-04  4.5492000000e-03  4.2650000000e-03 -8.4060000000e-04 -4.0150000000e-04  1.5177000000e-03 -2.9562000000e-03 -6.5945000000e-03 -1.7911000000e-03  3.1441000000e-03  3.0715000000e-03  3.6320000000e-04 -2.6110000000e-04  2.5014000000e-03
+
+JOB 74
+COORDS -2.5957600000e-01 -1.1108200000e-01  1.6975300000e+00 -8.8290700000e-01 -8.3296000000e-01  1.7786700000e+00  4.0790400000e-01 -2.9492700000e-01  2.3585160000e+00  2.8026700000e-01  2.2770600000e-01 -1.7310710000e+00 -1.8706200000e-01 -2.0677100000e-01 -2.4445590000e+00  4.0263300000e-01 -4.5629500000e-01 -1.0727380000e+00
+ENERGY -1.526550469066e+02
+FORCES -7.2050000000e-04 -2.1733000000e-03  5.2519000000e-03  3.3063000000e-03  2.7451000000e-03 -1.3356000000e-03 -2.9271000000e-03  5.4260000000e-04 -3.3219000000e-03 -1.4313000000e-03 -3.8595000000e-03  2.1875000000e-03  1.5901000000e-03  1.5818000000e-03  3.0616000000e-03  1.8240000000e-04  1.1633000000e-03 -5.8436000000e-03
+
+JOB 75
+COORDS  4.6864200000e-01 -1.1124300000e+00  1.3550430000e+00  1.3294270000e+00 -8.4049500000e-01  1.0367130000e+00  1.0481600000e-01 -3.2705900000e-01  1.7637670000e+00 -5.5125500000e-01  1.0330640000e+00 -1.3328770000e+00  2.8177300000e-01  1.2137560000e+00 -8.9739100000e-01 -3.6820900000e-01  1.1611210000e+00 -2.2636440000e+00
+ENERGY -1.526524864778e+02
+FORCES  5.5630000000e-04  3.8760000000e-03 -5.2100000000e-05 -3.4732000000e-03 -2.8280000000e-04  8.9600000000e-04  2.5736000000e-03 -3.0443000000e-03 -1.5055000000e-03  3.9988000000e-03  2.0160000000e-04 -2.3528000000e-03 -2.9824000000e-03 -1.5000000000e-04 -9.7550000000e-04 -6.7310000000e-04 -6.0060000000e-04  3.9898000000e-03
+
+JOB 76
+COORDS  1.1055470000e+00 -1.3195620000e+00  4.4738200000e-01  5.3528000000e-01 -1.6049270000e+00  1.1612410000e+00  1.9926040000e+00 -1.4358170000e+00  7.8774200000e-01 -1.0860370000e+00  1.3922580000e+00 -4.7756300000e-01 -9.1870400000e-01  4.5599900000e-01 -3.6962200000e-01 -1.8722240000e+00  1.4343380000e+00 -1.0219630000e+00
+ENERGY -1.526562376353e+02
+FORCES  3.9616000000e-03 -1.5533000000e-03  4.8274000000e-03  1.4823000000e-03  1.7631000000e-03 -3.8812000000e-03 -3.8021000000e-03 -3.0550000000e-04 -1.0889000000e-03 -5.9410000000e-04 -4.4558000000e-03 -2.0680000000e-03 -4.0966000000e-03  4.8181000000e-03 -1.7000000000e-05  3.0489000000e-03 -2.6670000000e-04  2.2278000000e-03
+
+JOB 77
+COORDS  9.9093600000e-01 -1.0129010000e+00  1.2993730000e+00  8.6252100000e-01 -9.2347700000e-01  3.5505100000e-01  3.0834800000e-01 -4.6534800000e-01  1.6873070000e+00 -9.3991500000e-01  1.0433600000e+00 -1.2578410000e+00 -1.7339280000e+00  5.0905100000e-01 -1.2408570000e+00 -2.3512600000e-01  4.2031200000e-01 -1.4348020000e+00
+ENERGY -1.526535108063e+02
+FORCES -3.6253000000e-03  4.0390000000e-03 -1.5925000000e-03  4.2560000000e-04 -7.9240000000e-04  1.9425000000e-03  3.0117000000e-03 -3.3572000000e-03 -1.0816000000e-03 -1.3708000000e-03 -3.7495000000e-03 -2.8125000000e-03  4.0057000000e-03  2.2966000000e-03  5.2520000000e-04 -2.4469000000e-03  1.5636000000e-03  3.0189000000e-03
+
+JOB 78
+COORDS -1.0770710000e+00  1.3774140000e+00 -9.4703300000e-01 -1.2093270000e+00  1.9945620000e+00 -2.2740200000e-01 -1.2063430000e+00  5.1564500000e-01 -5.5096000000e-01  1.0259980000e+00 -1.3591860000e+00  8.7226600000e-01  1.7142350000e+00 -7.6022600000e-01  5.8276600000e-01  1.4899710000e+00 -2.0409690000e+00  1.3582010000e+00
+ENERGY -1.526567182871e+02
+FORCES -1.2954000000e-03 -2.1086000000e-03  4.9739000000e-03  6.6280000000e-04 -2.0437000000e-03 -2.9674000000e-03 -3.3670000000e-04  4.8956000000e-03 -2.5175000000e-03  5.5124000000e-03 -8.3730000000e-04  6.8220000000e-04 -2.8633000000e-03 -2.8604000000e-03  1.8142000000e-03 -1.6797000000e-03  2.9545000000e-03 -1.9854000000e-03
+
+JOB 79
+COORDS -8.0892200000e-01 -1.4734640000e+00 -1.1707300000e+00 -8.5429900000e-01 -7.2699100000e-01 -1.7681830000e+00 -1.4804390000e+00 -2.0767750000e+00 -1.4890280000e+00  8.9327000000e-01  1.4293020000e+00  1.1872540000e+00  9.9797100000e-01  2.3396840000e+00  1.4637930000e+00  9.3963000000e-02  1.1360290000e+00  1.6246680000e+00
+ENERGY -1.526543708808e+02
+FORCES -2.1085000000e-03  9.2120000000e-04 -4.1892000000e-03 -5.5750000000e-04 -3.4964000000e-03  2.2243000000e-03  2.7177000000e-03  2.5285000000e-03  1.4895000000e-03 -2.9959000000e-03  1.5422000000e-03  3.2445000000e-03 -4.5170000000e-04 -3.7041000000e-03 -1.3437000000e-03  3.3959000000e-03  2.2087000000e-03 -1.4254000000e-03
+
+JOB 80
+COORDS  3.8773000000e-02 -1.4777480000e+00  1.5742690000e+00  9.8666400000e-01 -1.4978420000e+00  1.7059170000e+00 -1.5942200000e-01 -5.5827500000e-01  1.3967300000e+00 -6.0693000000e-02  1.4327970000e+00 -1.5069660000e+00  1.2544100000e-01  1.8779090000e+00 -2.3336830000e+00 -6.5905800000e-01  7.2464200000e-01 -1.7450980000e+00
+ENERGY -1.526559797023e+02
+FORCES  3.5669000000e-03  4.4474000000e-03 -2.9120000000e-04 -3.7464000000e-03 -3.4970000000e-04 -2.2110000000e-04  1.2410000000e-04 -4.6785000000e-03  1.1003000000e-03 -1.6122000000e-03 -8.2870000000e-04 -5.2432000000e-03 -8.4120000000e-04 -1.9057000000e-03  3.2714000000e-03  2.5088000000e-03  3.3153000000e-03  1.3838000000e-03
+
+JOB 81
+COORDS  4.3545900000e-01 -1.1571430000e+00  1.7428660000e+00  8.6185000000e-02 -1.1321180000e+00  2.6337160000e+00  5.3224100000e-01 -2.0895250000e+00  1.5491410000e+00 -4.3383900000e-01  1.2494000000e+00 -1.7320450000e+00  2.8924500000e-01  6.2681300000e-01 -1.8079890000e+00 -9.1710000000e-01  1.1572600000e+00 -2.5531420000e+00
+ENERGY -1.526537845958e+02
+FORCES -1.6776000000e-03 -3.2113000000e-03  3.3142000000e-03  1.6143000000e-03 -3.9730000000e-04 -3.5444000000e-03 -2.1900000000e-04  3.8756000000e-03  4.1600000000e-04  1.3815000000e-03 -3.4292000000e-03 -2.6440000000e-03 -2.9410000000e-03  2.7920000000e-03 -8.6340000000e-04  1.8418000000e-03  3.7020000000e-04  3.3216000000e-03
+
+JOB 82
+COORDS  2.9316000000e-02 -1.9131680000e+00 -1.3935240000e+00 -9.1558600000e-01 -1.9863700000e+00 -1.2592350000e+00  3.9050100000e-01 -2.7045150000e+00 -9.9409100000e-01 -1.2567000000e-02  1.9236330000e+00  1.4115840000e+00  5.4016000000e-02  1.7001940000e+00  4.8321200000e-01  1.6877500000e-01  2.8628690000e+00  1.4459750000e+00
+ENERGY -1.526551451549e+02
+FORCES -2.2799000000e-03 -4.1063000000e-03  2.5047000000e-03  3.9205000000e-03  5.2320000000e-04 -7.3450000000e-04 -1.5541000000e-03  3.1122000000e-03 -1.8700000000e-03  1.3660000000e-03  2.4439000000e-03 -4.0377000000e-03 -6.9250000000e-04  1.7444000000e-03  4.2282000000e-03 -7.6000000000e-04 -3.7175000000e-03 -9.0700000000e-05
+
+JOB 83
+COORDS  6.3036200000e-01 -2.3474280000e+00  4.1965700000e-01  6.7408500000e-01 -1.9713650000e+00 -4.5948800000e-01 -1.3987500000e-01 -1.9407390000e+00  8.1661000000e-01 -6.2850100000e-01  2.2502910000e+00 -4.0504100000e-01  3.1938900000e-01  2.1786740000e+00 -2.9275800000e-01 -8.1165100000e-01  3.1848500000e+00 -3.0867600000e-01
+ENERGY -1.526551779470e+02
+FORCES -3.6580000000e-03  3.2717000000e-03 -2.1212000000e-03  3.9950000000e-04 -1.5981000000e-03  3.5876000000e-03  3.4688000000e-03 -2.0422000000e-03 -1.3440000000e-03  3.0192000000e-03  4.2701000000e-03  9.0350000000e-04 -4.0753000000e-03 -6.8400000000e-05 -6.2870000000e-04  8.4580000000e-04 -3.8332000000e-03 -3.9730000000e-04
+
+JOB 84
+COORDS  3.3977200000e-01 -1.4091610000e+00  2.0165070000e+00  1.3571700000e-01 -6.7148200000e-01  2.5913300000e+00  1.2961620000e+00 -1.4299530000e+00  1.9830670000e+00 -3.5300200000e-01  1.3302780000e+00 -2.0002740000e+00 -6.7292000000e-01  2.2226840000e+00 -1.8679990000e+00 -5.1410800000e-01  1.1524610000e+00 -2.9269120000e+00
+ENERGY -1.526535449716e+02
+FORCES  3.0543000000e-03  3.4945000000e-03  1.3026000000e-03  7.8920000000e-04 -3.1066000000e-03 -1.9076000000e-03 -3.7740000000e-03 -1.8260000000e-04  5.1820000000e-04 -2.2390000000e-03  2.5114000000e-03 -3.2395000000e-03  1.4226000000e-03 -3.5726000000e-03 -4.1900000000e-04  7.4690000000e-04  8.5590000000e-04  3.7453000000e-03
+
+JOB 85
+COORDS -6.1570300000e-01  2.8938350000e+00 -1.3306680000e+00 -1.5361000000e-02  2.2056540000e+00 -1.0439120000e+00 -1.1932410000e+00  2.4616380000e+00 -1.9598630000e+00  6.3745500000e-01 -2.7754860000e+00  1.3288070000e+00  1.1225940000e+00 -3.4951760000e+00  1.7324380000e+00 -2.5861300000e-01 -3.1032590000e+00  1.2522690000e+00
+ENERGY -1.526545162193e+02
+FORCES  2.9350000000e-04 -4.7743000000e-03 -1.1948000000e-03 -2.5534000000e-03  3.0540000000e-03 -1.3641000000e-03  2.2161000000e-03  1.8140000000e-03  2.4746000000e-03 -1.5908000000e-03 -4.4403000000e-03  1.6135000000e-03 -2.0256000000e-03  2.9217000000e-03 -1.6909000000e-03  3.6602000000e-03  1.4250000000e-03  1.6160000000e-04
+
+JOB 86
+COORDS  2.3557500000e-01  2.7517560000e+00  1.7321020000e+00  9.0574000000e-01  3.3264410000e+00  2.1020310000e+00 -2.4269900000e-01  3.3064630000e+00  1.1158340000e+00 -2.7317800000e-01 -2.8684970000e+00 -1.7544890000e+00 -7.1377200000e-01 -2.4404710000e+00 -1.0203900000e+00  5.9550200000e-01 -2.4672780000e+00 -1.7799800000e+00
+ENERGY -1.526545737395e+02
+FORCES  7.5450000000e-04  4.8624000000e-03 -8.0830000000e-04 -2.7308000000e-03 -2.3776000000e-03 -1.5680000000e-03  1.9890000000e-03 -2.3879000000e-03  2.4648000000e-03  1.7833000000e-03  3.5315000000e-03  3.1455000000e-03  1.6734000000e-03 -1.8968000000e-03 -3.1461000000e-03 -3.4694000000e-03 -1.7317000000e-03 -8.7800000000e-05
+
+JOB 87
+COORDS  4.2491000000e-01 -3.3893090000e+00 -1.6110100000e-01  9.2447000000e-02 -3.0255550000e+00 -9.8170100000e-01 -3.3172800000e-01 -3.3897600000e+00  4.2518400000e-01 -3.9152700000e-01  3.4319410000e+00  1.8254200000e-01 -5.3492500000e-01  2.8360210000e+00 -5.5267800000e-01  1.8923100000e-01  2.9506170000e+00  7.7184500000e-01
+ENERGY -1.526540824152e+02
+FORCES -4.5214000000e-03  1.0159000000e-03 -9.8550000000e-04  1.4128000000e-03 -1.2187000000e-03  3.4313000000e-03  3.1666000000e-03  1.9260000000e-04 -2.4325000000e-03  2.0098000000e-03 -4.3071000000e-03 -5.5430000000e-04  4.4140000000e-04  2.3429000000e-03  2.9700000000e-03 -2.5091000000e-03  1.9745000000e-03 -2.4290000000e-03
+
+JOB 88
+COORDS  9.7152000000e-01 -2.6768950000e+00  3.0365310000e+00  1.9565500000e-01 -3.2372190000e+00  3.0539140000e+00  1.6106430000e+00 -3.1349680000e+00  3.5823530000e+00 -9.1374300000e-01  2.7829330000e+00 -3.0570910000e+00 -8.0055900000e-01  1.9208840000e+00 -3.4574550000e+00 -1.8437930000e+00  2.8239030000e+00 -2.8344660000e+00
+ENERGY -1.526539991987e+02
+FORCES -4.9270000000e-04 -4.1055000000e-03  2.3560000000e-03  3.1358000000e-03  2.2861000000e-03 -1.2000000000e-04 -2.6305000000e-03  1.8462000000e-03 -2.2389000000e-03 -3.2405000000e-03 -3.4549000000e-03 -5.4220000000e-04 -5.1520000000e-04  3.5548000000e-03  1.5196000000e-03  3.7431000000e-03 -1.2660000000e-04 -9.7440000000e-04
+
+JOB 89
+COORDS  1.4233430000e+00 -4.2223620000e+00  9.4213400000e-01  2.0171280000e+00 -3.6335080000e+00  1.4078610000e+00  1.3691200000e+00 -3.8587880000e+00  5.8332000000e-02 -1.4437460000e+00  4.1765900000e+00 -9.8039100000e-01 -1.8489950000e+00  4.7614180000e+00 -3.4009300000e-01 -1.2448940000e+00  3.3810280000e+00 -4.8666000000e-01
+ENERGY -1.526540661502e+02
+FORCES  2.2844000000e-03  3.7747000000e-03 -1.7704000000e-03 -2.4830000000e-03 -2.3470000000e-03 -1.8785000000e-03  1.8400000000e-04 -1.4292000000e-03  3.6619000000e-03 -9.5170000000e-04 -7.9740000000e-04  4.6420000000e-03  1.6875000000e-03 -2.4004000000e-03 -2.6146000000e-03 -7.2120000000e-04  3.1993000000e-03 -2.0405000000e-03
+
+JOB 0
+COORDS -9.9906800000e-01 -6.9679400000e-01  2.2094300000e-01 -7.9229300000e-01 -1.1453120000e+00  1.0408870000e+00 -1.4129340000e+00 -1.3678130000e+00 -3.2190200000e-01  1.0641330000e+00  7.9665800000e-01 -1.9975300000e-01  1.0965860000e+00  4.4952800000e-01 -1.0912010000e+00  1.8773000000e-01  5.7265600000e-01  1.1325600000e-01
+ENERGY -1.526546819411e+02
+FORCES  1.1716000000e-02  4.3948000000e-03 -3.3101000000e-03 -1.3535000000e-03  2.8567000000e-03 -4.5341000000e-03  2.7602000000e-03  1.9232000000e-03  3.3581000000e-03 -1.7129100000e-02 -1.3692600000e-02 -1.5513000000e-03  1.3739000000e-03  1.2982000000e-03  9.6370000000e-04  2.6325000000e-03  3.2196000000e-03  5.0737000000e-03
+
+JOB 1
+COORDS -1.1123720000e+00  2.6075400000e-01  4.9460000000e-01 -1.1914300000e+00 -5.0032300000e-01  1.0697020000e+00 -1.4116360000e+00  9.9690200000e-01  1.0282290000e+00  1.1917950000e+00 -2.7636400000e-01 -5.2627000000e-01  2.8243400000e-01 -1.9346900000e-01 -2.3917700000e-01  1.1656360000e+00 -8.6513000000e-02 -1.4640890000e+00
+ENERGY -1.526562786387e+02
+FORCES  1.3034400000e-02  1.6760000000e-03 -2.1878000000e-03  2.9815000000e-03  4.6240000000e-03 -4.4542000000e-03 -4.3990000000e-04 -5.0889000000e-03 -1.3443000000e-03 -1.8126000000e-02  6.7929000000e-03  5.8121000000e-03  3.8529000000e-03 -8.2362000000e-03 -6.9520000000e-04 -1.3029000000e-03  2.3230000000e-04  2.8693000000e-03
+
+JOB 2
+COORDS  2.1092100000e-01 -3.0997500000e-01  1.2641100000e+00  9.4643500000e-01 -8.6753800000e-01  1.5178310000e+00  3.7402800000e-01 -1.0139000000e-01  3.4426200000e-01 -1.9023300000e-01  3.3171600000e-01 -1.2389880000e+00 -8.0603800000e-01  1.0244420000e+00 -9.9993300000e-01 -7.2944300000e-01 -4.5638400000e-01 -1.3051920000e+00
+ENERGY -1.526589776910e+02
+FORCES  3.9750000000e-04  5.2346000000e-03 -1.6640900000e-02 -2.1094000000e-03  1.5846000000e-03 -3.9055000000e-03 -1.1610000000e-03 -4.6004000000e-03  1.0020200000e-02 -5.1904000000e-03 -1.7870000000e-03  9.2923000000e-03  3.6838000000e-03 -4.4339000000e-03 -8.0070000000e-04  4.3795000000e-03  4.0021000000e-03  2.0346000000e-03
+
+JOB 3
+COORDS -1.1439570000e+00  1.2494400000e-01 -4.5589800000e-01 -1.4135460000e+00  5.9583300000e-01 -1.2444520000e+00 -1.9654690000e+00 -1.2246000000e-01 -3.1468000000e-02  1.2599580000e+00 -1.6228500000e-01  4.4204100000e-01  3.7556700000e-01 -5.9617000000e-02  9.0553000000e-02  1.2000580000e+00  1.6139900000e-01  1.3408580000e+00
+ENERGY -1.526576341691e+02
+FORCES  1.1819800000e-02 -1.5125000000e-03  4.5786000000e-03 -6.4240000000e-04 -2.8742000000e-03  4.6429000000e-03  3.1431000000e-03  2.6701000000e-03 -3.2793000000e-03 -1.9078500000e-02  3.3244000000e-03 -5.4730000000e-03  5.9890000000e-03 -5.4030000000e-04  1.7178000000e-03 -1.2309000000e-03 -1.0675000000e-03 -2.1871000000e-03
+
+JOB 4
+COORDS  1.2556580000e+00  1.5848500000e-01 -5.3806700000e-01  1.6919160000e+00  2.8626900000e-01  3.0430000000e-01  3.2268800000e-01  1.4032700000e-01 -3.2483400000e-01 -1.1669480000e+00 -1.8461800000e-01  4.3890600000e-01 -2.0751110000e+00 -3.5483200000e-01  1.8890800000e-01 -1.2316590000e+00  3.1317900000e-01  1.2539170000e+00
+ENERGY -1.526574297114e+02
+FORCES -1.5644200000e-02 -3.3868000000e-03  7.4331000000e-03 -2.1892000000e-03  2.2190000000e-04 -1.4908000000e-03  6.9433000000e-03  2.7673000000e-03 -9.8200000000e-04  5.9424000000e-03  1.7049000000e-03 -3.3031000000e-03  4.2040000000e-03  1.3345000000e-03  3.0337000000e-03  7.4370000000e-04 -2.6419000000e-03 -4.6909000000e-03
+
+JOB 5
+COORDS  6.9859000000e-02 -2.6260900000e-01  1.2603060000e+00 -4.9685800000e-01 -8.8260900000e-01  1.7192890000e+00 -2.2509000000e-01  5.9795000000e-01  1.5580900000e+00 -8.0398000000e-02  2.3687800000e-01 -1.3452670000e+00  7.1659500000e-01  7.1543700000e-01 -1.5733310000e+00  4.1945000000e-02 -1.0033000000e-02 -4.2858900000e-01
+ENERGY -1.526597061269e+02
+FORCES -4.2442000000e-03  1.0967000000e-03 -5.6072000000e-03  2.5169000000e-03  4.4009000000e-03 -1.4780000000e-03  1.6143000000e-03 -5.0603000000e-03 -2.8376000000e-03  3.1190000000e-03 -4.9302000000e-03  1.6112300000e-02 -2.2487000000e-03 -9.1510000000e-04  2.5654000000e-03 -7.5730000000e-04  5.4081000000e-03 -8.7549000000e-03
+
+JOB 6
+COORDS  1.3482190000e+00  1.9285900000e-01  2.0623600000e-01  1.7899840000e+00 -5.2538600000e-01 -2.4675300000e-01  4.1686600000e-01  4.1148000000e-02  4.5617000000e-02 -1.2534800000e+00 -1.5286100000e-01 -1.3960500000e-01 -2.0844420000e+00 -5.6627600000e-01  9.4536000000e-02 -1.4806160000e+00  4.6656200000e-01 -8.3311500000e-01
+ENERGY -1.526586147464e+02
+FORCES -1.4468600000e-02 -5.2367000000e-03 -1.1986000000e-03 -2.1310000000e-03  1.6958000000e-03  9.4230000000e-04  6.0925000000e-03  4.3494000000e-03 -3.4373000000e-03  6.2137000000e-03 -4.6700000000e-05  2.8609000000e-03  2.5418000000e-03  3.2561000000e-03 -3.1743000000e-03  1.7516000000e-03 -4.0179000000e-03  4.0071000000e-03
+
+JOB 7
+COORDS  6.9191900000e-01  9.1567900000e-01  7.7052800000e-01  2.9039200000e-01  3.2077000000e-01  1.3721000000e-01  8.6975900000e-01  3.6788200000e-01  1.5350690000e+00 -6.2781200000e-01 -8.1816100000e-01 -7.5364900000e-01 -1.5502410000e+00 -5.6487100000e-01 -7.8827700000e-01 -6.0626500000e-01 -1.6980550000e+00 -1.1298860000e+00
+ENERGY -1.526593053345e+02
+FORCES -6.4395000000e-03 -1.3124900000e-02 -7.4546000000e-03  8.2490000000e-04  6.5108000000e-03  3.4933000000e-03 -3.8390000000e-04  1.1851000000e-03 -1.8748000000e-03  3.5244000000e-03  3.8019000000e-03  4.1111000000e-03  4.9498000000e-03 -2.4211000000e-03 -2.1480000000e-04 -2.4757000000e-03  4.0482000000e-03  1.9398000000e-03
+
+JOB 8
+COORDS -3.9580200000e-01 -2.9575200000e-01 -1.2976710000e+00 -7.9159000000e-02  9.2460000000e-03 -4.4740900000e-01 -4.6676900000e-01 -1.2453860000e+00 -1.2007690000e+00  3.3820400000e-01  3.0667400000e-01  1.2087600000e+00  4.9014900000e-01  1.2118050000e+00  1.4805740000e+00  1.0401230000e+00 -1.9091600000e-01  1.6282190000e+00
+ENERGY -1.526594503262e+02
+FORCES  3.8640000000e-03  1.4742000000e-03  1.6728500000e-02 -1.9404000000e-03 -6.5800000000e-04 -8.6002000000e-03  9.2100000000e-04  2.2047000000e-03  1.2920000000e-04  7.8820000000e-04 -7.9310000000e-04 -5.1554000000e-03  1.0180000000e-04 -5.3036000000e-03 -1.3489000000e-03 -3.7346000000e-03  3.0757000000e-03 -1.7532000000e-03
+
+JOB 9
+COORDS -9.5027500000e-01  4.4972000000e-01 -8.8830000000e-01 -1.8293200000e-01  1.1499500000e-01 -4.2421300000e-01 -5.8938500000e-01  1.0040930000e+00 -1.5801540000e+00  8.3044000000e-01 -4.8886300000e-01  8.6297600000e-01  1.7182000000e+00 -3.1018400000e-01  5.5283400000e-01  8.4824300000e-01 -2.5300900000e-01  1.7904930000e+00
+ENERGY -1.526578612741e+02
+FORCES  9.9094000000e-03 -4.8695000000e-03  1.0063300000e-02 -2.3711000000e-03  3.4741000000e-03 -9.4126000000e-03  1.2385000000e-03 -2.3246000000e-03  3.3892000000e-03 -4.7099000000e-03  4.7761000000e-03  3.7370000000e-04 -6.3282000000e-03  7.8890000000e-04  8.0000000000e-07  2.2613000000e-03 -1.8451000000e-03 -4.4144000000e-03
+
+JOB 10
+COORDS  5.5262000000e-01 -8.1684100000e-01 -8.6128700000e-01  1.4297010000e+00 -1.1647230000e+00 -1.0223400000e+00  4.9302000000e-02 -1.5693710000e+00 -5.5047700000e-01 -5.5211400000e-01  8.8693800000e-01  9.1753900000e-01 -1.3550600000e+00  1.2463880000e+00  5.4030400000e-01 -1.3500000000e-01  4.1986100000e-01  1.9360100000e-01
+ENERGY -1.526604306629e+02
+FORCES  4.3070000000e-04  6.2740000000e-04  5.2827000000e-03 -4.9307000000e-03 -1.9230000000e-04  6.9910000000e-04  2.8689000000e-03  4.6846000000e-03 -1.6855000000e-03  6.1408000000e-03 -6.1107000000e-03 -1.0703300000e-02  2.5559000000e-03 -2.4689000000e-03  1.1750000000e-04 -7.0656000000e-03  3.4599000000e-03  6.2895000000e-03
+
+JOB 11
+COORDS -3.3550900000e-01 -7.1770500000e-01 -1.0683610000e+00  7.3120000000e-03 -1.5605720000e+00 -7.7124200000e-01  2.6270600000e-01 -4.4742700000e-01 -1.7650100000e+00  3.1511300000e-01  7.2854600000e-01  1.1430050000e+00  1.6775700000e-01  2.9186200000e-01  3.0406300000e-01 -1.6331900000e-01  1.5544660000e+00  1.0709500000e+00
+ENERGY -1.526598660191e+02
+FORCES  2.5797000000e-03 -1.8275000000e-03  1.7560000000e-03 -8.1210000000e-04  6.3258000000e-03 -1.2560000000e-03 -2.6148000000e-03 -3.1130000000e-04  5.9055000000e-03 -6.7633000000e-03 -6.2661000000e-03 -1.3338700000e-02  6.1408000000e-03  4.4448000000e-03  7.7916000000e-03  1.4697000000e-03 -2.3657000000e-03 -8.5840000000e-04
+
+JOB 12
+COORDS -9.6052800000e-01 -8.4039800000e-01  1.4553600000e-01 -1.2900540000e+00 -1.4677340000e+00 -4.9796500000e-01 -1.4284020000e+00 -1.0559940000e+00  9.5228500000e-01  9.9542600000e-01  9.5621700000e-01 -1.3450500000e-01  4.7259400000e-01  1.6307000000e-01 -1.7047000000e-02  1.7543940000e+00  6.7025800000e-01 -6.4286200000e-01
+ENERGY -1.526593920604e+02
+FORCES  2.7572000000e-03  3.5581000000e-03 -2.8690000000e-04  1.1573000000e-03  2.4121000000e-03  4.0642000000e-03  1.3584000000e-03 -6.3500000000e-05 -4.9300000000e-03 -9.3382000000e-03 -1.0146900000e-02  1.0268000000e-03  7.5590000000e-03  4.9821000000e-03 -9.1540000000e-04 -3.4937000000e-03 -7.4180000000e-04  1.0413000000e-03
+
+JOB 13
+COORDS  1.0575300000e+00 -8.1657100000e-01 -3.6979600000e-01  3.0715300000e-01 -3.8619200000e-01  4.0009000000e-02  1.0961990000e+00 -1.6781960000e+00  4.5342000000e-02 -9.6977400000e-01  8.8713900000e-01  3.1055500000e-01 -1.6977200000e+00  6.2523800000e-01 -2.5312400000e-01 -1.0606060000e+00  3.3906500000e-01  1.0900390000e+00
+ENERGY -1.526545464833e+02
+FORCES -8.6631000000e-03  8.2988000000e-03  2.5362000000e-03  3.0805000000e-03 -9.6144000000e-03  3.9235000000e-03 -2.7918000000e-03  4.4381000000e-03 -1.0390000000e-04 -2.2720000000e-03 -2.2709000000e-03 -1.9416000000e-03  4.5858000000e-03  4.9760000000e-04  3.7690000000e-03  6.0606000000e-03 -1.3492000000e-03 -8.1832000000e-03
+
+JOB 14
+COORDS  1.0183310000e+00  4.1145400000e-01  7.3586800000e-01  1.7941900000e+00  5.0352900000e-01  1.8288000000e-01  1.2834530000e+00 -2.0206300000e-01  1.4210970000e+00 -1.0813720000e+00 -4.4802900000e-01 -7.6152200000e-01 -4.1306000000e-01 -1.6330000000e-02 -2.2933200000e-01 -1.7138610000e+00  2.4270300000e-01 -9.5920500000e-01
+ENERGY -1.526614090960e+02
+FORCES -5.1980000000e-04 -4.8320000000e-03 -2.1628000000e-03 -3.9694000000e-03 -8.6700000000e-04  3.2545000000e-03 -5.3600000000e-05  3.4203000000e-03 -3.8263000000e-03  9.6325000000e-03  5.9532000000e-03  8.2972000000e-03 -8.2050000000e-03 -2.6128000000e-03 -6.8513000000e-03  3.1153000000e-03 -1.0617000000e-03  1.2887000000e-03
+
+JOB 15
+COORDS -4.3644500000e-01 -7.2377000000e-02 -1.3276650000e+00 -3.9529200000e-01  7.6549800000e-01 -1.7886470000e+00 -2.6334600000e-01  1.4845400000e-01 -4.1251400000e-01  4.3315100000e-01 -1.4003000000e-02  1.2388050000e+00 -2.4190500000e-01 -2.0955100000e-01  1.8886450000e+00  9.6647200000e-01  6.6926900000e-01  1.6449330000e+00
+ENERGY -1.526595002513e+02
+FORCES  5.1816000000e-03  1.9751000000e-03  1.2514000000e-02  7.0080000000e-04 -1.9432000000e-03  2.9240000000e-03 -5.5415000000e-03  6.9630000000e-04 -8.8864000000e-03 -3.8640000000e-04  5.1210000000e-04 -7.9080000000e-04  3.5833000000e-03  2.0852000000e-03 -3.9817000000e-03 -3.5378000000e-03 -3.3255000000e-03 -1.7792000000e-03
+
+JOB 16
+COORDS  1.9858400000e-01 -3.8955500000e-01 -1.2345530000e+00  1.8363300000e-01 -1.3412690000e+00 -1.1333180000e+00  6.8919300000e-01 -2.4189600000e-01 -2.0430900000e+00 -2.3162000000e-01  3.7436100000e-01  1.3163970000e+00 -2.5654300000e-01  1.2799890000e+00  1.6253460000e+00 -1.3709700000e-01  4.4730100000e-01  3.6667200000e-01
+ENERGY -1.526604251036e+02
+FORCES  1.1579000000e-03 -2.0793000000e-03  4.2998000000e-03  6.8440000000e-04  4.6161000000e-03 -2.5823000000e-03 -2.0793000000e-03 -1.8358000000e-03  3.4486000000e-03  2.0239000000e-03 -8.3430000000e-04 -1.1116100000e-02  6.4460000000e-04 -2.3838000000e-03 -2.9029000000e-03 -2.4315000000e-03  2.5171000000e-03  8.8529000000e-03
+
+JOB 17
+COORDS  5.4844100000e-01 -1.1640440000e+00  2.4760000000e-01  1.4300370000e+00 -1.2247870000e+00  6.1547500000e-01  4.9209400000e-01 -1.8989200000e+00 -3.6314800000e-01 -5.6739700000e-01  1.2500370000e+00 -2.7980800000e-01 -3.2062300000e-01  3.8016000000e-01  3.4276000000e-02 -1.3513580000e+00  1.4729500000e+00  2.2213500000e-01
+ENERGY -1.526609815553e+02
+FORCES  8.3110000000e-04  3.8042000000e-03 -3.0585000000e-03 -4.1063000000e-03 -1.3500000000e-03 -2.3007000000e-03  1.5213000000e-03  2.8039000000e-03  3.6492000000e-03  4.2424000000e-03 -1.1537200000e-02  3.4257000000e-03 -5.1814000000e-03  8.6099000000e-03 -8.1690000000e-04  2.6930000000e-03 -2.3308000000e-03 -8.9880000000e-04
+
+JOB 18
+COORDS -5.1694500000e-01 -5.4155100000e-01  1.2066170000e+00 -8.3805500000e-01 -1.3876080000e+00  8.9467600000e-01 -3.8070100000e-01 -2.8152000000e-02  4.1031800000e-01  5.1376200000e-01  5.3098500000e-01 -1.0725720000e+00  2.3300900000e-01  2.5855200000e-01 -1.9461800000e+00  1.0419930000e+00  1.3147780000e+00 -1.2238050000e+00
+ENERGY -1.526589468055e+02
+FORCES  5.2616000000e-03  3.4560000000e-03 -1.2545800000e-02  7.6170000000e-04  2.5164000000e-03  7.8300000000e-05 -4.8151000000e-03 -2.9511000000e-03  6.4243000000e-03 -9.6900000000e-05 -2.4270000000e-04  2.3448000000e-03  1.5686000000e-03  1.4187000000e-03  4.5115000000e-03 -2.6799000000e-03 -4.1973000000e-03 -8.1310000000e-04
+
+JOB 19
+COORDS -1.3804670000e+00  2.9489100000e-01 -2.8338000000e-01 -5.6893200000e-01 -2.0151600000e-01 -1.7744100000e-01 -1.1502510000e+00  1.1883810000e+00 -2.8607000000e-02  1.2923550000e+00 -2.6448400000e-01  2.2251200000e-01  1.7378890000e+00 -1.6673400000e-01  1.0640440000e+00  1.2865550000e+00 -1.2081500000e+00  6.2223000000e-02
+ENERGY -1.526572172501e+02
+FORCES  1.5155700000e-02  2.0165000000e-03  3.7173000000e-03 -5.6748000000e-03 -5.5857000000e-03 -2.9825000000e-03 -2.7599000000e-03 -1.2203000000e-03 -3.8150000000e-04 -1.1059000000e-03 -6.6170000000e-04  3.2496000000e-03 -1.6937000000e-03 -6.8570000000e-04 -4.5880000000e-03 -3.9215000000e-03  6.1369000000e-03  9.8510000000e-04
+
+JOB 20
+COORDS -1.8516400000e-01  1.8646800000e-01 -1.3084710000e+00 -1.5444000000e-01 -5.5596000000e-01 -1.9118690000e+00  4.9744200000e-01  7.7943000000e-01 -1.6225990000e+00  1.1984100000e-01 -1.3233800000e-01  1.4060080000e+00  7.7059900000e-01 -8.0814400000e-01  1.5958260000e+00 -9.3754000000e-02 -2.5779800000e-01  4.8141700000e-01
+ENERGY -1.526599311158e+02
+FORCES  4.0448000000e-03  2.1605000000e-03  8.2840000000e-04  9.3430000000e-04  3.3493000000e-03  4.2847000000e-03 -3.4526000000e-03 -4.0043000000e-03 -6.2400000000e-05 -6.4810000000e-04 -2.3460000000e-04 -1.2955400000e-02 -1.8441000000e-03  1.9535000000e-03 -1.9990000000e-03  9.6560000000e-04 -3.2243000000e-03  9.9037000000e-03
+
+JOB 21
+COORDS  1.2077210000e+00  2.5213800000e-01 -6.6284500000e-01  2.0366310000e+00 -1.3071500000e-01 -3.7550500000e-01  5.5449700000e-01 -1.1523500000e-01 -6.7390000000e-02 -1.2410520000e+00 -1.8671200000e-01  5.5394700000e-01 -1.0447140000e+00 -1.0947970000e+00  7.8430400000e-01 -1.0460000000e+00  3.1000800000e-01  1.3485880000e+00
+ENERGY -1.526554599928e+02
+FORCES -9.4630000000e-03 -1.9698000000e-03  4.2185000000e-03 -5.0612000000e-03  4.1750000000e-04  7.3860000000e-04  1.0061300000e-02 -2.0640000000e-03  5.2280000000e-04 -1.0293000000e-03  6.5560000000e-04  2.7224000000e-03  3.9775000000e-03  6.7298000000e-03 -2.8413000000e-03  1.5146000000e-03 -3.7691000000e-03 -5.3610000000e-03
+
+JOB 22
+COORDS  1.1285250000e+00  2.2691800000e-01 -8.4090300000e-01  4.0035500000e-01 -6.4028000000e-02 -2.9194900000e-01  1.7502360000e+00  6.1827100000e-01 -2.2726700000e-01 -1.0539060000e+00 -2.5237600000e-01  7.9007400000e-01 -1.3818110000e+00  6.3537900000e-01  6.4653700000e-01 -1.8116090000e+00 -8.1617900000e-01  6.3437100000e-01
+ENERGY -1.526609365489e+02
+FORCES -8.0397000000e-03 -4.0995000000e-03  9.7001000000e-03  6.6604000000e-03  5.2427000000e-03 -6.0816000000e-03 -2.7070000000e-03 -5.6670000000e-04 -1.4113000000e-03 -1.9600000000e-03  9.0180000000e-04 -2.9878000000e-03  2.9322000000e-03 -5.3882000000e-03 -5.5400000000e-05  3.1141000000e-03  3.9099000000e-03  8.3600000000e-04
+
+JOB 23
+COORDS -3.1327700000e-01 -8.1909900000e-01  1.1225500000e+00 -1.9984900000e-01 -2.5291300000e-01  3.5913700000e-01 -1.0608600000e-01 -2.5834900000e-01  1.8701220000e+00  2.4459500000e-01  7.8966300000e-01 -1.0855180000e+00  1.8652200000e-01  5.4465800000e-01 -2.0090070000e+00  1.0772270000e+00  4.2044800000e-01 -7.9117600000e-01
+ENERGY -1.526583160930e+02
+FORCES -1.6629000000e-03  8.9161000000e-03 -7.4404000000e-03  7.0463000000e-03 -5.3452000000e-03  6.6710000000e-03  4.8110000000e-04 -1.3542000000e-03 -3.4116000000e-03  1.4693000000e-03 -3.5240000000e-03 -2.6566000000e-03  1.5109000000e-03  1.4001000000e-03  4.6523000000e-03 -8.8446000000e-03 -9.2800000000e-05  2.1853000000e-03
+
+JOB 24
+COORDS  7.1513800000e-01 -4.1650900000e-01 -1.0526060000e+00  6.0671700000e-01 -1.3652200000e+00 -1.1191210000e+00  1.5802790000e+00 -2.4709900000e-01 -1.4255200000e+00 -7.8680100000e-01  4.0645800000e-01  1.1052430000e+00 -8.6143600000e-01  1.3085130000e+00  1.4166250000e+00 -2.4654200000e-01  4.6841700000e-01  3.1751700000e-01
+ENERGY -1.526606500212e+02
+FORCES -1.7870000000e-04 -3.4538000000e-03  2.7776000000e-03  2.1412000000e-03  4.4250000000e-03 -1.2180000000e-03 -3.8725000000e-03 -1.4062000000e-03  1.5903000000e-03  5.9130000000e-03 -9.8920000000e-04 -8.1732000000e-03  1.6421000000e-03 -2.5964000000e-03 -2.3213000000e-03 -5.6452000000e-03  4.0205000000e-03  7.3446000000e-03
+
+JOB 25
+COORDS  4.2089100000e-01  1.2310670000e+00  2.7610600000e-01  1.2526090000e+00  1.2884120000e+00  7.4641300000e-01  1.9345500000e-01  2.1397400000e+00  7.9083000000e-02 -4.4593900000e-01 -1.3002740000e+00 -3.5705200000e-01 -7.1298600000e-01 -1.9326120000e+00  3.1008000000e-01 -4.3246800000e-01 -4.5973500000e-01  1.0070800000e-01
+ENERGY -1.526597367488e+02
+FORCES  1.9127000000e-03 -6.2760000000e-04 -1.2706000000e-03 -4.2785000000e-03  9.8590000000e-04 -1.7771000000e-03  2.2325000000e-03 -3.8532000000e-03  1.3326000000e-03  1.7787000000e-03  9.1018000000e-03  3.4228000000e-03  1.6445000000e-03  3.3839000000e-03 -1.2361000000e-03 -3.2900000000e-03 -8.9907000000e-03 -4.7170000000e-04
+
+JOB 26
+COORDS -9.3566800000e-01 -6.8270600000e-01  7.3690100000e-01 -1.8404560000e+00 -3.7152600000e-01  7.6443600000e-01 -9.5288200000e-01 -1.4166120000e+00  1.2263900000e-01  1.0463490000e+00  7.2409400000e-01 -6.7606100000e-01  8.1249200000e-01  6.7949200000e-01 -1.6031820000e+00  2.4654400000e-01  4.7222600000e-01 -2.1442700000e-01
+ENERGY -1.526595437371e+02
+FORCES -1.5449000000e-03 -3.6336000000e-03 -1.4637000000e-03  5.4308000000e-03 -1.0595000000e-03 -1.6276000000e-03 -4.4670000000e-04  5.4391000000e-03  2.1435000000e-03 -9.3518000000e-03 -4.7065000000e-03  4.9395000000e-03 -2.9050000000e-04 -1.0417000000e-03  3.3741000000e-03  6.2031000000e-03  5.0023000000e-03 -7.3657000000e-03
+
+JOB 27
+COORDS  2.2013000000e-01  3.5695900000e-01  1.3770190000e+00 -1.2508600000e-01 -9.9282000000e-02  6.0962000000e-01  2.3372400000e-01 -3.0788500000e-01  2.0655160000e+00 -1.3526400000e-01 -2.9204800000e-01 -1.3685260000e+00 -6.8431500000e-01  4.9050700000e-01 -1.4173260000e+00 -7.5582200000e-01 -1.0208380000e+00 -1.3661620000e+00
+ENERGY -1.526574016581e+02
+FORCES  5.8310000000e-04 -4.9767000000e-03 -8.4239000000e-03 -3.9371000000e-03  2.2796000000e-03  9.2154000000e-03 -5.3400000000e-04  1.2933000000e-03 -3.7903000000e-03 -2.6240000000e-03  2.5589000000e-03 -3.5042000000e-03  2.7612000000e-03 -5.5249000000e-03  2.6052000000e-03  3.7508000000e-03  4.3698000000e-03  3.8978000000e-03
+
+JOB 28
+COORDS -4.2305300000e-01 -8.8749100000e-01  9.7145100000e-01 -3.3359900000e-01 -4.5060200000e-01  1.8184210000e+00  1.8185600000e-01 -1.6278470000e+00  1.0182360000e+00  4.1168400000e-01  8.7677100000e-01 -1.0743270000e+00  2.5151700000e-01  1.8070220000e+00 -9.1554900000e-01  8.4233000000e-02  4.3931200000e-01 -2.8842800000e-01
+ENERGY -1.526605324515e+02
+FORCES  3.5778000000e-03 -3.0708000000e-03  1.5356000000e-03  3.2920000000e-04 -7.6570000000e-04 -5.7342000000e-03 -3.3131000000e-03  3.9922000000e-03  9.3200000000e-04 -4.7359000000e-03 -5.6013000000e-03  8.0321000000e-03  7.5200000000e-05 -3.5512000000e-03  1.2509000000e-03  4.0668000000e-03  8.9968000000e-03 -6.0164000000e-03
+
+JOB 29
+COORDS -9.8886500000e-01 -6.3421500000e-01  7.5040300000e-01 -1.5902040000e+00 -9.5552600000e-01  7.8554000000e-02 -1.4618190000e+00  8.2879000000e-02  1.1726860000e+00  1.0698150000e+00  6.7895600000e-01 -7.2271200000e-01  4.8702300000e-01  1.2809600000e-01 -2.0008700000e-01  1.2962820000e+00  1.3838000000e-01 -1.4794960000e+00
+ENERGY -1.526611650392e+02
+FORCES -4.5266000000e-03  3.1473000000e-03 -1.0498000000e-03  3.8088000000e-03  2.0142000000e-03  2.8674000000e-03  2.1794000000e-03 -4.0309000000e-03 -2.6705000000e-03 -6.8042000000e-03 -7.5840000000e-03  5.0772000000e-03  7.2395000000e-03  5.4008000000e-03 -6.6652000000e-03 -1.8968000000e-03  1.0526000000e-03  2.4409000000e-03
+
+JOB 30
+COORDS -5.9888800000e-01  2.7342200000e-01 -1.2325970000e+00 -8.3005400000e-01  1.1978190000e+00 -1.3236130000e+00 -1.4161220000e+00 -1.5426000000e-01 -9.7676800000e-01  7.3181400000e-01 -3.0732800000e-01  1.2437710000e+00  3.8295300000e-01 -8.7501000000e-02  3.7994000000e-01 -4.3241000000e-02 -4.7205400000e-01  1.7807870000e+00
+ENERGY -1.526599223548e+02
+FORCES -4.1512000000e-03  2.2969000000e-03 -4.0160000000e-04  6.8660000000e-04 -5.2546000000e-03  1.1488000000e-03  5.2754000000e-03  2.6890000000e-03  9.6590000000e-04 -6.4028000000e-03  2.2395000000e-03 -9.3876000000e-03  3.0256000000e-03 -2.4972000000e-03  1.0119600000e-02  1.5665000000e-03  5.2650000000e-04 -2.4451000000e-03
+
+JOB 31
+COORDS  1.2315780000e+00 -6.0360200000e-01  2.5051400000e-01  2.1420560000e+00 -3.3994500000e-01  1.1729600000e-01  9.8910300000e-01 -1.0480010000e+00 -5.6185700000e-01 -1.3002560000e+00  5.8457600000e-01 -2.4672500000e-01 -1.5892110000e+00  1.3763380000e+00  2.0698100000e-01 -5.0053600000e-01  3.2435500000e-01  2.1040100000e-01
+ENERGY -1.526611763788e+02
+FORCES  2.2104000000e-03  2.8000000000e-04 -4.9211000000e-03 -3.7911000000e-03 -2.0407000000e-03 -5.4000000000e-05  1.0868000000e-03  3.2724000000e-03  5.0013000000e-03  7.7362000000e-03 -5.2450000000e-04  4.7764000000e-03  1.9291000000e-03 -2.4165000000e-03 -1.0072000000e-03 -9.1715000000e-03  1.4293000000e-03 -3.7955000000e-03
+
+JOB 32
+COORDS -8.9541900000e-01 -1.1500250000e+00 -2.6510000000e-02 -4.0362500000e-01 -3.3236000000e-01  4.9620000000e-02 -1.7530170000e+00 -8.8425600000e-01 -3.5836000000e-01  8.5490500000e-01  1.0965720000e+00  5.3121000000e-02  1.2970950000e+00  1.2933400000e+00 -7.7270100000e-01  1.5521730000e+00  7.8582100000e-01  6.3060100000e-01
+ENERGY -1.526618779585e+02
+FORCES  4.1621000000e-03  1.0526700000e-02 -4.4340000000e-04 -5.9024000000e-03 -9.2727000000e-03  1.0256000000e-03  2.9831000000e-03 -1.3830000000e-04  5.4200000000e-04  4.2970000000e-03 -1.5428000000e-03 -1.9789000000e-03 -1.6069000000e-03 -6.9780000000e-04  4.5063000000e-03 -3.9329000000e-03  1.1249000000e-03 -3.6516000000e-03
+
+JOB 33
+COORDS  1.4028190000e+00 -4.0419900000e-01 -1.7888400000e-01  1.3004320000e+00 -1.3491710000e+00 -6.5847000000e-02  5.3576100000e-01 -4.4715000000e-02  8.7640000000e-03 -1.3344620000e+00  4.0653000000e-01  2.2971200000e-01 -1.1606300000e+00  1.3010920000e+00 -6.3159000000e-02 -1.7297780000e+00 -2.1987000000e-02 -5.2945200000e-01
+ENERGY -1.526600720586e+02
+FORCES -1.1713800000e-02 -4.4670000000e-04  4.2677000000e-03  2.3590000000e-04  2.5914000000e-03 -1.0577000000e-03  9.4635000000e-03  6.8020000000e-04 -4.2037000000e-03 -2.9795000000e-03  1.7520000000e-03 -4.3716000000e-03  1.7309000000e-03 -6.5441000000e-03  1.2810000000e-03  3.2629000000e-03  1.9673000000e-03  4.0843000000e-03
+
+JOB 34
+COORDS -1.3434080000e+00 -5.4235700000e-01 -3.0920900000e-01 -4.3034000000e-01 -3.2857300000e-01 -1.1728500000e-01 -1.8238500000e+00  2.6305800000e-01 -1.1759600000e-01  1.2688970000e+00  4.4577600000e-01  3.1767500000e-01  1.8481480000e+00  9.2169000000e-02 -3.5735300000e-01  1.5405620000e+00  1.3586630000e+00  4.1289300000e-01
+ENERGY -1.526604075364e+02
+FORCES  9.0389000000e-03  7.2794000000e-03  4.3060000000e-03 -6.4721000000e-03 -5.6702000000e-03 -4.0869000000e-03  7.7110000000e-04 -2.1289000000e-03 -7.2120000000e-04  1.1437000000e-03  3.0779000000e-03 -1.8979000000e-03 -4.1503000000e-03  1.9379000000e-03  3.2679000000e-03 -3.3120000000e-04 -4.4960000000e-03 -8.6790000000e-04
+
+JOB 35
+COORDS -9.4920200000e-01 -8.2288100000e-01 -6.7148600000e-01 -8.0586600000e-01 -4.3134200000e-01 -1.5331030000e+00 -3.6624400000e-01 -1.5818560000e+00 -6.5279200000e-01  9.4592100000e-01  8.2149700000e-01  7.7473800000e-01  1.4625300000e-01  4.2628200000e-01  4.2750900000e-01  1.0917330000e+00  1.5910870000e+00  2.2455600000e-01
+ENERGY -1.526602759886e+02
+FORCES  4.0594000000e-03 -3.4847000000e-03 -4.0720000000e-03  2.0710000000e-04 -6.2140000000e-04  5.3223000000e-03 -3.1617000000e-03  4.5113000000e-03 -2.6580000000e-04 -8.3146000000e-03 -3.0039000000e-03 -5.5030000000e-03  8.1282000000e-03  5.7201000000e-03  3.7598000000e-03 -9.1840000000e-04 -3.1214000000e-03  7.5860000000e-04
+
+JOB 36
+COORDS -3.3085300000e-01 -1.2462310000e+00  7.2048500000e-01  1.6270000000e-02 -4.3524300000e-01  3.4895200000e-01 -9.1335100000e-01 -1.5903690000e+00  4.3362000000e-02  3.8154100000e-01  1.1841870000e+00 -6.2567100000e-01  3.5194000000e-02  9.9990700000e-01 -1.4987780000e+00  6.7412000000e-02  2.0655960000e+00 -4.2399200000e-01
+ENERGY -1.526601541062e+02
+FORCES  1.6011000000e-03  9.2917000000e-03 -6.2114000000e-03 -2.4998000000e-03 -9.3649000000e-03  3.0041000000e-03  1.8264000000e-03  1.4542000000e-03  1.3077000000e-03 -3.1144000000e-03  2.6993000000e-03 -9.8080000000e-04  7.6540000000e-04 -8.9000000000e-06  5.2576000000e-03  1.4212000000e-03 -4.0714000000e-03 -2.3771000000e-03
+
+JOB 37
+COORDS  4.0147000000e-02 -1.2387570000e+00 -6.7068800000e-01 -6.8301100000e-01 -1.8652130000e+00 -6.4194100000e-01 -6.0655000000e-02 -7.9432900000e-01 -1.5124450000e+00 -2.8170000000e-02  1.3061520000e+00  6.9958300000e-01  7.7894500000e-01  1.2222450000e+00  1.2072800000e+00 -2.5567500000e-01  4.0769700000e-01  4.6030800000e-01
+ENERGY -1.526609218759e+02
+FORCES -9.6470000000e-04 -6.4630000000e-04 -5.2547000000e-03  3.1323000000e-03  4.3527000000e-03  2.8060000000e-04 -4.9140000000e-04 -2.5883000000e-03  5.1475000000e-03  3.0872000000e-03 -1.0698400000e-02 -1.8388000000e-03 -2.4327000000e-03  8.1380000000e-04 -1.3353000000e-03 -2.3308000000e-03  8.7665000000e-03  3.0008000000e-03
+
+JOB 38
+COORDS -4.3855200000e-01  7.8665100000e-01  1.1730340000e+00 -2.6074700000e-01  2.0141400000e-01  4.3674900000e-01 -9.8259000000e-01  1.4811400000e+00  8.0163200000e-01  4.2122300000e-01 -7.7433300000e-01 -1.0494070000e+00  1.0093030000e+00 -2.4911100000e-01 -1.5921190000e+00  4.4219600000e-01 -1.6451730000e+00 -1.4461820000e+00
+ENERGY -1.526612274796e+02
+FORCES  6.3080000000e-04 -5.0577000000e-03 -8.5634000000e-03 -2.2941000000e-03  6.6700000000e-03  6.5446000000e-03  2.1670000000e-03 -2.0400000000e-03  4.7620000000e-04  1.7130000000e-03 -1.0202000000e-03 -7.4770000000e-04 -3.3087000000e-03 -3.0848000000e-03  1.9156000000e-03  1.0919000000e-03  4.5328000000e-03  3.7470000000e-04
+
+JOB 39
+COORDS  1.4108010000e+00 -4.3482900000e-01  8.1285000000e-02  1.3159670000e+00 -1.2502540000e+00  5.7354600000e-01  5.7757300000e-01 -3.3404100000e-01 -3.7893700000e-01 -1.3215420000e+00  4.8051100000e-01 -2.0184000000e-02 -1.5846940000e+00 -3.3057700000e-01 -4.5506300000e-01 -1.6511210000e+00  1.1758830000e+00 -5.8945200000e-01
+ENERGY -1.526546053747e+02
+FORCES -9.8632000000e-03  2.1117000000e-03  2.0939000000e-03 -2.0220000000e-04  2.5225000000e-03 -2.2480000000e-03  4.8103000000e-03 -5.8603000000e-03 -2.7237000000e-03 -3.0908000000e-03  1.7045000000e-03 -1.6176000000e-03  6.3606000000e-03  3.5165000000e-03  1.8304000000e-03  1.9854000000e-03 -3.9949000000e-03  2.6650000000e-03
+
+JOB 40
+COORDS -5.4300800000e-01 -1.0063740000e+00  7.7225700000e-01 -6.6714500000e-01 -1.6572920000e+00  8.1513000000e-02 -9.1260100000e-01 -1.4140950000e+00  1.5554540000e+00  5.5812800000e-01  1.1319120000e+00 -7.6335400000e-01  1.3204690000e+00  7.8357400000e-01 -1.2256620000e+00  3.1570000000e-02  3.6057500000e-01 -5.5357200000e-01
+ENERGY -1.526562219380e+02
+FORCES -1.4408000000e-03 -1.4135000000e-03  3.2339000000e-03  1.7487000000e-03  6.1560000000e-03  1.7059000000e-03  1.9142000000e-03  4.0800000000e-04 -4.0622000000e-03 -1.1580000000e-03 -7.1986000000e-03  5.4015000000e-03 -3.0184000000e-03  4.1710000000e-04  1.4583000000e-03  1.9544000000e-03  1.6309000000e-03 -7.7375000000e-03
+
+JOB 41
+COORDS  7.8538100000e-01 -8.4927400000e-01  8.3589000000e-01  8.5211700000e-01 -5.7688500000e-01  1.7510850000e+00 -2.6388000000e-02 -1.3547970000e+00  7.9454000000e-01 -8.1298500000e-01  8.7079300000e-01 -8.6665900000e-01 -3.3729200000e-01  1.2714630000e+00 -1.5942650000e+00 -1.5819400000e-01  3.3669900000e-01 -4.1696500000e-01
+ENERGY -1.526611645027e+02
+FORCES -2.3996000000e-03 -1.0966000000e-03  5.5864000000e-03 -5.5230000000e-04 -2.1098000000e-03 -4.3164000000e-03  4.1559000000e-03  5.5004000000e-03 -1.4032000000e-03  8.4851000000e-03 -3.2622000000e-03  3.2175000000e-03 -9.5390000000e-04 -1.4751000000e-03  2.6856000000e-03 -8.7352000000e-03  2.4434000000e-03 -5.7700000000e-03
+
+JOB 42
+COORDS  5.9242500000e-01  1.3308850000e+00  4.8083000000e-02  1.0272000000e-01  5.9417700000e-01 -3.1754200000e-01  9.1195100000e-01  1.8098180000e+00 -7.1661200000e-01 -5.4681800000e-01 -1.2788850000e+00  5.8809000000e-02 -2.5931100000e-01 -1.8649370000e+00 -6.4127300000e-01 -1.5020300000e+00 -1.3389620000e+00  4.4945000000e-02
+ENERGY -1.526589262973e+02
+FORCES -3.3619000000e-03 -7.7546000000e-03 -1.5654000000e-03  3.2588000000e-03  9.8910000000e-03 -2.4858000000e-03 -1.5734000000e-03 -3.2864000000e-03  1.9972000000e-03 -1.9326000000e-03 -4.1851000000e-03  9.4200000000e-05 -1.6817000000e-03  4.3754000000e-03  2.8081000000e-03  5.2908000000e-03  9.5970000000e-04 -8.4830000000e-04
+
+JOB 43
+COORDS -2.5987500000e-01 -3.7990400000e-01 -1.4332030000e+00  5.6423200000e-01 -3.7740100000e-01 -9.4630100000e-01 -8.2238000000e-01  2.3014100000e-01 -9.5606200000e-01  3.0969000000e-01  3.6302000000e-01  1.4047100000e+00 -2.3200300000e-01  8.6737500000e-01  7.9772900000e-01 -2.2624100000e-01 -3.9757100000e-01  1.6294580000e+00
+ENERGY -1.526519722585e+02
+FORCES  3.7107000000e-03  2.4388000000e-03  7.3299000000e-03 -4.0908000000e-03 -2.2070000000e-04 -4.3503000000e-03  1.9940000000e-03 -1.3590000000e-04  2.4752000000e-03 -5.8805000000e-03 -2.2522000000e-03 -1.4069000000e-03  1.4847000000e-03 -3.8177000000e-03 -2.6843000000e-03  2.7818000000e-03  3.9877000000e-03 -1.3635000000e-03
+
+JOB 44
+COORDS -8.2503600000e-01 -9.7970700000e-01  6.1900900000e-01 -4.7917200000e-01 -1.2475970000e+00  1.4703880000e+00 -1.5267310000e+00 -3.6320000000e-01  8.2823700000e-01  8.4252600000e-01  1.0010700000e+00 -7.3924300000e-01  2.7240400000e-01  2.6773800000e-01 -5.0812300000e-01  1.4782310000e+00  1.0452050000e+00 -2.4986000000e-02
+ENERGY -1.526603073160e+02
+FORCES -1.2553000000e-03  1.2061000000e-03  5.1770000000e-03 -1.7933000000e-03  1.9737000000e-03 -3.8868000000e-03  4.7814000000e-03 -2.7612000000e-03 -1.4271000000e-03 -3.1751000000e-03 -8.6973000000e-03  6.6455000000e-03  3.0987000000e-03  7.9071000000e-03 -4.6542000000e-03 -1.6565000000e-03  3.7170000000e-04 -1.8545000000e-03
+
+JOB 45
+COORDS -1.0703300000e+00  7.0665700000e-01  7.6812800000e-01 -3.6474800000e-01  2.0817600000e-01  3.5593400000e-01 -6.6776400000e-01  1.0950000000e+00  1.5448920000e+00  9.7970400000e-01 -6.4848300000e-01 -7.4504300000e-01  5.6500200000e-01 -1.4571960000e+00 -1.0454400000e+00  1.8571390000e+00 -6.7256000000e-01 -1.1268280000e+00
+ENERGY -1.526607634872e+02
+FORCES  9.0992000000e-03 -2.3864000000e-03 -2.5623000000e-03 -8.1739000000e-03  1.1312000000e-03  4.3674000000e-03 -1.0151000000e-03 -1.0180000000e-03 -2.3760000000e-03  1.8545000000e-03 -5.3800000000e-04 -2.2009000000e-03  2.2383000000e-03  4.3891000000e-03  1.8779000000e-03 -4.0030000000e-03 -1.5779000000e-03  8.9390000000e-04
+
+JOB 46
+COORDS -8.4364800000e-01  4.4761000000e-01 -1.1581730000e+00 -2.5262100000e-01  5.0390500000e-01 -1.9090060000e+00 -2.9264400000e-01  1.3135100000e-01 -4.4220800000e-01  7.2115500000e-01 -3.9904500000e-01  1.1548640000e+00  1.5998320000e+00 -1.9411000000e-02  1.1609500000e+00  8.6592200000e-01 -1.3406950000e+00  1.2474350000e+00
+ENERGY -1.526611425399e+02
+FORCES  6.7769000000e-03 -2.8720000000e-03  6.5417000000e-03 -1.1073000000e-03 -3.3390000000e-04  2.9023000000e-03 -4.9898000000e-03  2.8517000000e-03 -9.6016000000e-03  3.7589000000e-03 -2.2069000000e-03  2.0931000000e-03 -4.4261000000e-03 -2.5563000000e-03 -9.9840000000e-04 -1.2600000000e-05  5.1174000000e-03 -9.3720000000e-04
+
+JOB 47
+COORDS -1.1623590000e+00 -8.4444200000e-01  1.1921200000e-01 -1.7753720000e+00 -2.4224200000e-01  5.4087700000e-01 -1.4524050000e+00 -8.8299900000e-01 -7.9217100000e-01  1.2372260000e+00  8.5152900000e-01 -4.2627000000e-02  1.5971300000e+00  7.7310900000e-01 -9.2611500000e-01  4.9454300000e-01  2.4776500000e-01 -3.1570000000e-02
+ENERGY -1.526608113008e+02
+FORCES -6.0645000000e-03  1.2215000000e-03 -7.2340000000e-04  3.7554000000e-03 -2.9400000000e-03 -2.9452000000e-03  3.0411000000e-03  1.3571000000e-03  4.5111000000e-03 -6.4114000000e-03 -7.3726000000e-03 -1.1773000000e-03 -2.1578000000e-03 -1.7380000000e-04  2.4453000000e-03  7.8372000000e-03  7.9079000000e-03 -2.1104000000e-03
+
+JOB 48
+COORDS -2.5947800000e-01 -9.7827800000e-01 -1.1143440000e+00  5.5839500000e-01 -1.1586560000e+00 -1.5777860000e+00  1.3810000000e-02 -5.5018700000e-01 -3.0299700000e-01  1.9208700000e-01  8.9292200000e-01  1.0813920000e+00  8.9426400000e-01  1.5010910000e+00  8.5050200000e-01 -4.8159300000e-01  1.4441720000e+00  1.4795270000e+00
+ENERGY -1.526605015682e+02
+FORCES  3.2191000000e-03  4.9203000000e-03  6.6494000000e-03 -2.1626000000e-03  1.5648000000e-03  1.9976000000e-03  3.4030000000e-04 -6.7222000000e-03 -7.7620000000e-03 -2.3404000000e-03  4.6786000000e-03 -5.5850000000e-04 -3.2311000000e-03 -3.1142000000e-03  9.3530000000e-04  4.1748000000e-03 -1.3273000000e-03 -1.2618000000e-03
+
+JOB 49
+COORDS -3.4903700000e-01 -1.3513380000e+00  2.3942400000e-01  2.6107800000e-01 -1.8331180000e+00 -3.1903800000e-01 -1.0813180000e+00 -1.9537010000e+00  3.7040100000e-01  3.6678700000e-01  1.4724010000e+00 -1.8443600000e-01 -7.7334000000e-02  6.9816300000e-01  1.6131600000e-01  6.5078000000e-01  1.2145600000e+00 -1.0614180000e+00
+ENERGY -1.526600226176e+02
+FORCES  1.7300000000e-04 -3.8221000000e-03 -1.4924000000e-03 -3.5373000000e-03  2.1610000000e-03  2.0366000000e-03  3.9385000000e-03  2.1367000000e-03 -1.0719000000e-03 -2.7920000000e-03 -9.7303000000e-03 -8.1350000000e-04  2.1627000000e-03  8.2679000000e-03 -8.9090000000e-04  5.5200000000e-05  9.8680000000e-04  2.2321000000e-03
+
+JOB 50
+COORDS  3.3479300000e-01 -1.3940690000e+00  3.3177500000e-01  1.1154410000e+00 -1.4547450000e+00 -2.1880500000e-01 -3.6097200000e-01 -1.7886370000e+00 -1.9401900000e-01 -3.4951100000e-01  1.4696800000e+00 -2.1848300000e-01 -5.4327300000e-01  1.5328060000e+00 -1.1537390000e+00  1.9159000000e-02  5.9321100000e-01 -1.0840300000e-01
+ENERGY -1.526590422125e+02
+FORCES -3.9500000000e-04 -6.1036000000e-03 -2.2122000000e-03 -5.3704000000e-03  3.1040000000e-03  2.0397000000e-03  4.1807000000e-03  3.3438000000e-03  1.7896000000e-03  1.6987000000e-03 -8.3449000000e-03  2.5200000000e-04  8.4410000000e-04 -1.4693000000e-03  3.1524000000e-03 -9.5810000000e-04  9.4701000000e-03 -5.0215000000e-03
+
+JOB 51
+COORDS  1.2008960000e+00 -7.9815500000e-01  1.9714400000e-01  1.7413160000e+00 -5.0796400000e-01  9.3197000000e-01  1.6514980000e+00 -4.6446100000e-01 -5.7863800000e-01 -1.2319010000e+00  8.2065000000e-01 -1.7559200000e-01 -8.5274900000e-01 -5.4392000000e-02 -9.3269000000e-02 -2.0844380000e+00  6.7517900000e-01 -5.8577500000e-01
+ENERGY -1.526600915024e+02
+FORCES  4.3815000000e-03  5.0066000000e-03  4.7250000000e-04 -1.3682000000e-03 -1.6749000000e-03 -3.5698000000e-03 -1.7963000000e-03 -2.2069000000e-03  3.5074000000e-03  2.5514000000e-03 -5.7326000000e-03  8.7860000000e-04 -7.6565000000e-03  5.0808000000e-03 -2.5419000000e-03  3.8880000000e-03 -4.7290000000e-04  1.2532000000e-03
+
+JOB 52
+COORDS  5.1836000000e-02 -7.8909300000e-01 -1.2606830000e+00  3.9164200000e-01  1.4130000000e-02 -1.6551410000e+00  8.3259500000e-01 -1.2967120000e+00 -1.0393900000e+00 -7.4781000000e-02  7.6718400000e-01  1.3216240000e+00 -6.8190900000e-01  1.4645300000e+00  1.0739630000e+00 -2.0626100000e-01  8.8256000000e-02  6.5980700000e-01
+ENERGY -1.526603786056e+02
+FORCES  6.1790000000e-03  1.0451000000e-03 -3.4754000000e-03 -2.3669000000e-03 -3.7675000000e-03  2.7055000000e-03 -4.4490000000e-03  3.1650000000e-03  2.7100000000e-05 -3.9791000000e-03 -3.5905000000e-03 -7.5197000000e-03  2.5642000000e-03 -1.9128000000e-03  3.3500000000e-04  2.0518000000e-03  5.0607000000e-03  7.9276000000e-03
+
+JOB 53
+COORDS  4.5171800000e-01  1.4644420000e+00  5.0586000000e-02  1.9497700000e-01  5.4466800000e-01 -1.5226000000e-02 -3.7491000000e-01  1.9465380000e+00  2.8185000000e-02 -4.1242700000e-01 -1.3763130000e+00 -5.2570000000e-02 -2.1552500000e-01 -2.0039430000e+00 -7.4794100000e-01 -1.8046700000e-01 -1.8332640000e+00  7.5589900000e-01
+ENERGY -1.526621926391e+02
+FORCES -5.5191000000e-03 -7.5567000000e-03 -1.0570000000e-03  3.3922000000e-03  9.7679000000e-03  1.3853000000e-03  2.4985000000e-03 -1.4140000000e-03  1.2120000000e-04  1.6408000000e-03 -4.9471000000e-03 -3.5200000000e-05 -1.0394000000e-03  2.1712000000e-03  4.0409000000e-03 -9.7310000000e-04  1.9787000000e-03 -4.4551000000e-03
+
+JOB 54
+COORDS  9.2910800000e-01 -2.8915600000e-01  1.1943830000e+00  4.7821000000e-01  4.9121000000e-02  4.2076100000e-01  1.1568880000e+00 -1.1900260000e+00  9.6464100000e-01 -8.8307200000e-01  2.6341300000e-01 -1.1721670000e+00 -7.4412000000e-01  1.2025960000e+00 -1.2940680000e+00 -1.5667540000e+00  2.0661300000e-01 -5.0464700000e-01
+ENERGY -1.526601463312e+02
+FORCES -2.8312000000e-03 -2.1462000000e-03 -9.3245000000e-03  2.9994000000e-03  1.1065000000e-03  8.7527000000e-03 -6.7200000000e-04  2.7017000000e-03  1.5721000000e-03 -5.7238000000e-03  3.3108000000e-03 -7.5540000000e-04  5.1620000000e-04 -5.4331000000e-03  2.4295000000e-03  5.7114000000e-03  4.6030000000e-04 -2.6744000000e-03
+
+JOB 55
+COORDS  1.6223200000e-01  1.7942400000e-01 -1.5108930000e+00 -1.5415400000e-01 -5.3776000000e-01 -2.0602370000e+00 -5.0030000000e-02 -9.0923000000e-02 -6.1753500000e-01 -1.4954700000e-01 -5.4421000000e-02  1.4598620000e+00 -7.2013600000e-01 -7.7418600000e-01  1.7293010000e+00  7.3449800000e-01 -3.5999000000e-01  1.6631470000e+00
+ENERGY -1.526601186465e+02
+FORCES -2.8417000000e-03 -1.9336000000e-03  6.9753000000e-03  8.1800000000e-04  1.9448000000e-03  3.0314000000e-03  2.1350000000e-03 -1.6757000000e-03 -1.0785600000e-02  1.8732000000e-03 -2.3115000000e-03  5.9462000000e-03  3.2583000000e-03  3.1740000000e-03 -3.0382000000e-03 -5.2427000000e-03  8.0190000000e-04 -2.1292000000e-03
+
+JOB 56
+COORDS  1.1723340000e+00  6.8486900000e-01  5.5481000000e-01  1.1664280000e+00  1.5382630000e+00  9.8830300000e-01  1.6224730000e+00  1.0619400000e-01  1.1702290000e+00 -1.1978060000e+00 -7.4112000000e-01 -6.7385300000e-01 -4.5783800000e-01 -2.6612100000e-01 -2.9562600000e-01 -1.9381170000e+00 -5.2200200000e-01 -1.0802900000e-01
+ENERGY -1.526613381293e+02
+FORCES  3.2064000000e-03  2.0834000000e-03  4.1718000000e-03  3.5500000000e-04 -4.4296000000e-03 -1.2721000000e-03 -2.6742000000e-03  3.3227000000e-03 -2.6413000000e-03  4.5738000000e-03  5.4651000000e-03  4.8670000000e-03 -7.8117000000e-03 -5.8673000000e-03 -3.5478000000e-03  2.3508000000e-03 -5.7430000000e-04 -1.5777000000e-03
+
+JOB 57
+COORDS -9.2741600000e-01 -8.8675300000e-01  8.9135200000e-01 -9.0503700000e-01 -3.7051300000e-01  1.6970980000e+00 -6.1374200000e-01 -2.8779300000e-01  2.1379100000e-01  9.3340900000e-01  8.0407700000e-01 -8.4317800000e-01  4.1204000000e-01  1.5825870000e+00 -1.0389540000e+00  1.0106010000e+00  3.4972700000e-01 -1.6821300000e+00
+ENERGY -1.526589930490e+02
+FORCES  6.5651000000e-03  6.5844000000e-03 -1.8279000000e-03 -7.5450000000e-04 -1.5559000000e-03 -2.5238000000e-03 -7.8477000000e-03 -3.9573000000e-03  3.2144000000e-03  2.5681000000e-03  1.8845000000e-03 -5.6693000000e-03  9.4420000000e-04 -5.4447000000e-03  2.2796000000e-03 -1.4752000000e-03  2.4889000000e-03  4.5271000000e-03
+
+JOB 58
+COORDS  8.4229200000e-01  4.3020300000e-01 -1.2078900000e+00  1.5585000000e-01 -1.5824400000e-01 -8.9363000000e-01  1.2420740000e+00 -3.7404000000e-02 -1.9412040000e+00 -8.2193900000e-01 -3.1090600000e-01  1.2081260000e+00 -1.5318800000e-01 -8.3682600000e-01  1.6467730000e+00 -1.5919590000e+00 -8.7868300000e-01  1.1776470000e+00
+ENERGY -1.526575389865e+02
+FORCES -4.0303000000e-03 -3.1214000000e-03  1.8180000000e-03  5.3585000000e-03  6.1560000000e-04 -6.8116000000e-03 -1.9979000000e-03  1.0414000000e-03  3.5925000000e-03  8.3000000000e-05 -2.6899000000e-03  5.7449000000e-03 -3.7954000000e-03  1.6921000000e-03 -2.8889000000e-03  4.3820000000e-03  2.4622000000e-03 -1.4550000000e-03
+
+JOB 59
+COORDS -2.1249700000e-01  5.9503700000e-01 -1.4228040000e+00  6.7482300000e-01  2.3603300000e-01 -1.4193420000e+00 -7.8050600000e-01 -1.6988600000e-01 -1.5149500000e+00  1.3963400000e-01 -5.6505400000e-01  1.4487490000e+00  9.9624000000e-01 -4.8850000000e-01  1.8689840000e+00  1.9928000000e-01 -9.1800000000e-04  6.7776000000e-01
+ENERGY -1.526581434524e+02
+FORCES -6.1850000000e-04 -5.4030000000e-03 -5.0000000000e-03 -4.5920000000e-03  2.3418000000e-03  4.2359000000e-03  3.4055000000e-03  4.3879000000e-03  1.0478000000e-03  1.2526000000e-03  5.2299000000e-03 -2.7510000000e-03 -2.9137000000e-03 -5.8400000000e-05 -2.8285000000e-03  3.4661000000e-03 -6.4980000000e-03  5.2958000000e-03
+
+JOB 60
+COORDS -9.5534500000e-01  1.0921050000e+00  6.6862500000e-01 -4.7493500000e-01  4.6198700000e-01  1.3160600000e-01 -7.0409900000e-01  1.9467460000e+00  3.1834500000e-01  9.1222000000e-01 -1.0757540000e+00 -5.5799600000e-01  5.4879400000e-01 -1.9294240000e+00 -7.9337200000e-01  1.2409110000e+00 -7.1906500000e-01 -1.3832030000e+00
+ENERGY -1.526598856600e+02
+FORCES  5.7165000000e-03 -3.1280000000e-03 -3.5817000000e-03 -6.3899000000e-03  7.8058000000e-03  2.0705000000e-03 -5.2550000000e-04 -3.1321000000e-03  6.1340000000e-04  2.0666000000e-03 -5.3043000000e-03 -4.0884000000e-03  2.0028000000e-03  4.4311000000e-03  6.1050000000e-04 -2.8706000000e-03 -6.7250000000e-04  4.3757000000e-03
+
+JOB 61
+COORDS  1.0269000000e-01 -1.3969880000e+00 -8.2493800000e-01  4.6296700000e-01 -1.6769610000e+00  1.6517000000e-02 -1.7428000000e-01 -4.9252700000e-01 -6.7841100000e-01 -1.5410300000e-01  1.3979100000e+00  7.2308400000e-01  7.9024700000e-01  1.2693000000e+00  6.3423000000e-01 -3.8734200000e-01  9.2111700000e-01  1.5196390000e+00
+ENERGY -1.526576074310e+02
+FORCES -1.5777000000e-03  5.2258000000e-03  4.5622000000e-03 -7.7300000000e-04  1.4107000000e-03 -2.5486000000e-03  3.1456000000e-03 -7.1892000000e-03 -2.3888000000e-03  3.2581000000e-03  9.0730000000e-04  5.5922000000e-03 -5.6761000000e-03 -1.3973000000e-03 -4.1400000000e-04  1.6232000000e-03  1.0427000000e-03 -4.8031000000e-03
+
+JOB 62
+COORDS -8.7301000000e-01 -1.2018410000e+00  5.2541200000e-01 -4.0547600000e-01 -2.0268130000e+00  3.9477900000e-01 -6.8934400000e-01 -9.6317400000e-01  1.4340030000e+00  8.0632400000e-01  1.2067850000e+00 -6.2400200000e-01  4.2039500000e-01  1.2460770000e+00  2.5106700000e-01  1.6460400000e+00  1.6578290000e+00 -5.3642900000e-01
+ENERGY -1.526525483356e+02
+FORCES  4.0566000000e-03 -3.4799000000e-03  9.8780000000e-04 -2.6005000000e-03  2.8508000000e-03  1.2445000000e-03 -1.9920000000e-04  1.1318000000e-03 -4.2343000000e-03 -6.7200000000e-04  4.3880000000e-04  4.2868000000e-03  2.8740000000e-03  1.8628000000e-03 -2.0953000000e-03 -3.4588000000e-03 -2.8044000000e-03 -1.8960000000e-04
+
+JOB 63
+COORDS -1.4199270000e+00  5.6653600000e-01  5.6795500000e-01 -1.3532770000e+00  1.1254230000e+00  1.3421870000e+00 -5.2087900000e-01  4.9136600000e-01  2.4812100000e-01  1.3420770000e+00 -5.7872400000e-01 -5.3631700000e-01  2.2169470000e+00 -3.5638000000e-01 -8.5474700000e-01  9.3987300000e-01 -1.0624830000e+00 -1.2577330000e+00
+ENERGY -1.526603417263e+02
+FORCES  6.8039000000e-03  4.0430000000e-04  1.2561000000e-03 -1.9440000000e-04 -1.6681000000e-03 -2.6461000000e-03 -8.7182000000e-03  2.4117000000e-03  1.7537000000e-03  3.8324000000e-03 -2.7406000000e-03 -4.8133000000e-03 -3.8429000000e-03 -1.5620000000e-03  1.0945000000e-03  2.1193000000e-03  3.1547000000e-03  3.3551000000e-03
+
+JOB 64
+COORDS -7.9220500000e-01 -1.0750390000e+00  8.0670800000e-01 -1.6336370000e+00 -1.3603890000e+00  4.5061800000e-01 -9.6845300000e-01 -9.0504000000e-01  1.7320560000e+00  8.6926000000e-01  1.0907260000e+00 -9.0107900000e-01  9.8906100000e-01  1.6776980000e+00 -1.5452400000e-01  4.2285200000e-01  3.2658000000e-01 -5.3634200000e-01
+ENERGY -1.526602700339e+02
+FORCES -5.2313000000e-03 -1.6249000000e-03  3.6223000000e-03  3.8783000000e-03  1.4112000000e-03  2.0359000000e-03  3.7750000000e-04 -7.7770000000e-04 -4.2197000000e-03 -3.1180000000e-03 -3.5895000000e-03  6.4772000000e-03 -8.9000000000e-05 -1.2894000000e-03 -2.4958000000e-03  4.1825000000e-03  5.8704000000e-03 -5.4198000000e-03
+
+JOB 65
+COORDS  3.1185800000e-01 -1.6107590000e+00 -1.7734200000e-01  7.1140000000e-02 -8.7031200000e-01  3.7945700000e-01  1.0492460000e+00 -2.0210460000e+00  2.7449500000e-01 -3.8903800000e-01  1.5527940000e+00  8.3148000000e-02  3.7698700000e-01  1.2608760000e+00  5.7733500000e-01 -3.6156600000e-01  2.5079140000e+00  1.3992100000e-01
+ENERGY -1.526530701438e+02
+FORCES -2.4520000000e-04  1.4394000000e-03  3.0295000000e-03  4.5922000000e-03 -2.4882000000e-03 -4.2100000000e-04 -2.9083000000e-03  2.6289000000e-03 -1.8522000000e-03  3.4236000000e-03  5.0787000000e-03  8.2020000000e-04 -4.9957000000e-03 -2.4840000000e-03 -1.1032000000e-03  1.3350000000e-04 -4.1749000000e-03 -4.7330000000e-04
+
+JOB 66
+COORDS -2.3072600000e-01 -1.6198890000e+00  2.0398000000e-01  4.7976200000e-01 -1.6874650000e+00  8.4184600000e-01 -9.1004200000e-01 -1.1174170000e+00  6.5373900000e-01  1.9576600000e-01  1.5886660000e+00 -2.1019400000e-01 -3.1003000000e-02  2.1652650000e+00 -9.3981200000e-01  9.9570200000e-01  1.1460400000e+00 -4.9377200000e-01
+ENERGY -1.526558729724e+02
+FORCES -1.3160000000e-03  4.4113000000e-03  4.6125000000e-03 -1.9859000000e-03  3.9390000000e-04 -3.1078000000e-03  2.0367000000e-03 -4.5280000000e-03 -1.0318000000e-03  2.4937000000e-03 -1.4765000000e-03 -5.2320000000e-03  8.3050000000e-04 -2.3495000000e-03  2.9160000000e-03 -2.0591000000e-03  3.5487000000e-03  1.8430000000e-03
+
+JOB 67
+COORDS -7.9686100000e-01 -6.1131300000e-01 -1.2697330000e+00 -1.3051360000e+00 -1.0914300000e+00 -6.1599300000e-01 -1.4425680000e+00 -7.3783000000e-02 -1.7283780000e+00  8.5962300000e-01  6.6871200000e-01  1.2620070000e+00  1.4515450000e+00  5.6861000000e-02  1.6996130000e+00  2.4979900000e-01  1.0976000000e-01  7.8042700000e-01
+ENERGY -1.526566490390e+02
+FORCES -6.0841000000e-03  7.4080000000e-04 -3.2433000000e-03  4.6474000000e-03  3.7869000000e-03 -7.7600000000e-04  2.6064000000e-03 -3.1985000000e-03  1.9925000000e-03 -1.7880000000e-04 -4.6470000000e-03 -3.8303000000e-03 -2.5899000000e-03  2.0358000000e-03 -1.5943000000e-03  1.5992000000e-03  1.2821000000e-03  7.4513000000e-03
+
+JOB 68
+COORDS  9.1577300000e-01 -4.5964200000e-01  1.2972460000e+00  1.3868120000e+00  3.0586800000e-01  1.6264090000e+00  1.5293030000e+00 -8.7734600000e-01  6.9281500000e-01 -9.5192000000e-01  4.9601600000e-01 -1.2547280000e+00 -5.4306600000e-01 -3.6872700000e-01 -1.2906550000e+00 -1.8026840000e+00  3.7695800000e-01 -1.6769340000e+00
+ENERGY -1.526533531265e+02
+FORCES  3.9392000000e-03  3.7963000000e-03 -7.6650000000e-04 -1.2915000000e-03 -3.7698000000e-03 -6.5480000000e-04 -3.6620000000e-03  1.1899000000e-03  1.3601000000e-03 -1.3559000000e-03 -4.9376000000e-03  4.6010000000e-04 -1.0873000000e-03  3.1583000000e-03 -2.3585000000e-03  3.4574000000e-03  5.6290000000e-04  1.9595000000e-03
+
+JOB 69
+COORDS -4.2413000000e-02 -7.3872300000e-01  1.5782660000e+00 -3.0025400000e-01  8.9716000000e-02  1.1739900000e+00  6.6142500000e-01 -1.0693290000e+00  1.0201050000e+00  5.0792000000e-02  6.8635900000e-01 -1.4822600000e+00 -4.1482100000e-01  2.9230800000e-01 -2.2199320000e+00 -1.8824100000e-01  1.6126620000e+00 -1.5147930000e+00
+ENERGY -1.526578937725e+02
+FORCES  2.1146000000e-03  3.0087000000e-03 -7.4872000000e-03 -1.4670000000e-04 -2.0834000000e-03  4.9967000000e-03 -1.9100000000e-03 -5.2990000000e-04  3.7396000000e-03 -3.0111000000e-03  1.7977000000e-03 -5.2294000000e-03  2.2715000000e-03  2.1533000000e-03  2.9596000000e-03  6.8180000000e-04 -4.3464000000e-03  1.0206000000e-03
+
+JOB 70
+COORDS -4.5747000000e-01 -1.5981040000e+00  6.2080900000e-01 -1.6720700000e-01 -2.1868500000e+00 -7.5867000000e-02 -1.0839130000e+00 -1.0128890000e+00  1.9498700000e-01  4.2408300000e-01  1.6291080000e+00 -5.7474500000e-01  5.7182100000e-01  1.3308280000e+00  3.2271500000e-01  1.2259380000e+00  1.3930590000e+00 -1.0411590000e+00
+ENERGY -1.526571809149e+02
+FORCES -2.2173000000e-03  2.4900000000e-05 -5.7504000000e-03 -9.0650000000e-04  2.1695000000e-03  2.9202000000e-03  2.5487000000e-03 -3.3367000000e-03  3.0128000000e-03  5.0574000000e-03 -2.6259000000e-03  2.6909000000e-03 -1.2160000000e-03  2.6493000000e-03 -4.2730000000e-03 -3.2663000000e-03  1.1190000000e-03  1.3995000000e-03
+
+JOB 71
+COORDS  7.7987000000e-01  1.2432570000e+00 -1.0931200000e+00 -4.7339000000e-02  1.6121690000e+00 -7.8350400000e-01  8.3721500000e-01  3.8935400000e-01 -6.6440900000e-01 -6.7104700000e-01 -1.2080600000e+00  1.0470300000e+00 -1.2781400000e+00 -6.4838000000e-01  1.5312080000e+00 -1.2262920000e+00 -1.8828500000e+00  6.5639900000e-01
+ENERGY -1.526578023680e+02
+FORCES -3.6572000000e-03 -3.9410000000e-03  4.4653000000e-03  2.6962000000e-03 -1.9430000000e-04 -1.4332000000e-03  1.7235000000e-03  5.1144000000e-03 -3.9633000000e-03 -5.8312000000e-03 -2.2273000000e-03  1.9362000000e-03  2.6847000000e-03 -2.0095000000e-03 -2.8027000000e-03  2.3839000000e-03  3.2577000000e-03  1.7977000000e-03
+
+JOB 72
+COORDS -5.9491000000e-01  9.5333900000e-01  1.4328500000e+00 -9.1929000000e-01  4.6157300000e-01  6.7841300000e-01 -1.3427460000e+00  1.4795070000e+00  1.7159050000e+00  6.4495900000e-01 -1.0177380000e+00 -1.4131250000e+00  1.2016640000e+00 -5.5847800000e-01 -7.8432300000e-01  2.5650300000e-01 -3.2160600000e-01 -1.9429680000e+00
+ENERGY -1.526564885120e+02
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+
+JOB 73
+COORDS -1.2702780000e+00  1.4059080000e+00  7.2750000000e-03 -1.1434910000e+00  7.6922500000e-01 -6.9613900000e-01 -3.9731700000e-01  1.7649440000e+00  1.6621900000e-01  1.2729250000e+00 -1.4035520000e+00  5.9999000000e-02  1.1692000000e+00 -8.4935500000e-01 -7.1352500000e-01  3.9967900000e-01 -1.7629280000e+00  2.1659200000e-01
+ENERGY -1.526533087857e+02
+FORCES  4.4240000000e-03 -3.6050000000e-04 -1.3579000000e-03  1.0110000000e-04  1.6057000000e-03  2.7913000000e-03 -4.0735000000e-03 -1.3852000000e-03 -1.5088000000e-03 -4.0325000000e-03 -2.5160000000e-04 -1.7221000000e-03 -4.2340000000e-04 -1.2201000000e-03  3.3177000000e-03  4.0043000000e-03  1.6117000000e-03 -1.5202000000e-03
+
+JOB 74
+COORDS -2.8613500000e-01  1.9559060000e+00  5.8073600000e-01 -6.3273200000e-01  2.7769270000e+00  2.3141300000e-01  5.6939900000e-01  1.8593100000e+00  1.6245000000e-01  2.2726700000e-01 -1.9385520000e+00 -5.5839700000e-01  9.0508900000e-01 -2.4245210000e+00 -1.0281020000e+00  8.2143000000e-02 -2.4423310000e+00  2.4246400000e-01
+ENERGY -1.526539608146e+02
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+
+JOB 75
+COORDS -5.7525000000e-01 -2.3591000000e-02  2.0920110000e+00 -1.3527350000e+00  5.2562400000e-01  2.1925670000e+00 -6.8503000000e-01 -4.4081800000e-01  1.2375520000e+00  5.6961000000e-01  2.5865000000e-02 -2.0051870000e+00  6.9338000000e-01 -5.2361000000e-01 -2.7791310000e+00  1.4160580000e+00  4.5402700000e-01 -1.8769920000e+00
+ENERGY -1.526561531716e+02
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+
+JOB 76
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+ENERGY -1.526546951657e+02
+FORCES -9.7980000000e-04 -1.9188000000e-03 -4.7188000000e-03  3.3544000000e-03 -4.0360000000e-04  2.2402000000e-03 -2.2674000000e-03  2.6961000000e-03  2.1335000000e-03 -4.0666000000e-03 -1.5955000000e-03 -2.6715000000e-03  3.3636000000e-03 -6.6420000000e-04 -1.1761000000e-03  5.9580000000e-04  1.8860000000e-03  4.1925000000e-03
+
+JOB 77
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+ENERGY -1.526536485038e+02
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+
+JOB 78
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+ENERGY -1.526554738570e+02
+FORCES  8.4650000000e-04 -4.8885000000e-03 -2.3772000000e-03  2.1528000000e-03  3.9775000000e-03  5.0810000000e-04 -3.0282000000e-03  1.4214000000e-03  1.6618000000e-03 -1.8869000000e-03 -2.7060000000e-03  4.2720000000e-03  3.7854000000e-03  1.2125000000e-03 -6.1510000000e-04 -1.8696000000e-03  9.8310000000e-04 -3.4496000000e-03
+
+JOB 79
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+ENERGY -1.526539390035e+02
+FORCES -7.6590000000e-04 -1.2331000000e-03  4.1869000000e-03  2.5569000000e-03  2.6225000000e-03 -4.6820000000e-04 -1.8616000000e-03 -1.6092000000e-03 -3.7709000000e-03 -2.8033000000e-03 -4.2243000000e-03  1.1084000000e-03  1.5165000000e-03  2.5392000000e-03  2.2485000000e-03  1.3574000000e-03  1.9049000000e-03 -3.3046000000e-03
+
+JOB 80
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+ENERGY -1.526535822915e+02
+FORCES  1.2093000000e-03 -1.6030000000e-03 -4.3600000000e-03 -3.0448000000e-03 -1.0313000000e-03  2.0416000000e-03  1.7597000000e-03  2.4607000000e-03  2.2099000000e-03 -1.8782000000e-03 -3.8990000000e-03 -1.8075000000e-03  3.4413000000e-03  4.0000000000e-04  1.7026000000e-03 -1.4873000000e-03  3.6726000000e-03  2.1330000000e-04
+
+JOB 81
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+ENERGY -1.526544062446e+02
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+
+JOB 82
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+ENERGY -1.526544638498e+02
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+
+JOB 83
+COORDS -2.7151600000e-01  7.9021100000e-01  3.4776540000e+00  4.5498700000e-01  1.2657460000e+00  3.0748000000e+00 -9.4854100000e-01  1.4537620000e+00  3.6102010000e+00  2.3758900000e-01 -8.8303200000e-01 -3.5071260000e+00  1.1829450000e+00 -7.3417000000e-01 -3.4877770000e+00 -8.7196000000e-02 -4.6743700000e-01 -2.7083610000e+00
+ENERGY -1.526540394092e+02
+FORCES  1.5040000000e-04  4.6974000000e-03 -7.4240000000e-04 -2.9880000000e-03 -2.0186000000e-03  1.4122000000e-03  2.8170000000e-03 -2.7325000000e-03 -6.5720000000e-04  2.4782000000e-03  2.1046000000e-03  3.4541000000e-03 -3.8395000000e-03 -5.1970000000e-04 -1.0030000000e-04  1.3818000000e-03 -1.5312000000e-03 -3.3663000000e-03
+
+JOB 84
+COORDS  1.2369100000e+00  3.7150030000e+00  5.1491000000e-02  1.4890640000e+00  4.1994150000e+00  8.3761700000e-01  1.7690960000e+00  4.0966700000e+00 -6.4660700000e-01 -1.2812930000e+00 -3.7766960000e+00 -1.2525300000e-01 -5.6015500000e-01 -3.8456180000e+00  5.0040000000e-01 -2.0236530000e+00 -3.4723490000e+00  3.9676800000e-01
+ENERGY -1.526540639479e+02
+FORCES  3.2049000000e-03  3.5354000000e-03  2.2570000000e-04 -1.0449000000e-03 -2.0149000000e-03 -3.1601000000e-03 -2.1589000000e-03 -1.5260000000e-03  2.8982000000e-03 -2.6500000000e-05  1.2586000000e-03  4.6562000000e-03 -2.9420000000e-03  1.2810000000e-04 -2.5213000000e-03  2.9674000000e-03 -1.3812000000e-03 -2.0988000000e-03
+
+JOB 85
+COORDS  9.4857800000e-01  4.0051110000e+00 -6.6741100000e-01  1.6248900000e-01  3.4647240000e+00 -7.4663600000e-01  1.3226010000e+00  3.7619640000e+00  1.7947700000e-01 -9.0710800000e-01 -4.0078900000e+00  6.6556400000e-01 -3.9840200000e-01 -3.6155630000e+00 -4.4034000000e-02 -1.7449910000e+00 -3.5455810000e+00  6.4422200000e-01
+ENERGY -1.526539709808e+02
+FORCES -1.6338000000e-03 -3.0560000000e-03  3.2146000000e-03  3.1979000000e-03  2.0967000000e-03  2.7850000000e-04 -1.5683000000e-03  9.4080000000e-04 -3.5147000000e-03 -1.3681000000e-03  3.2820000000e-03 -3.0621000000e-03 -2.1006000000e-03 -1.4874000000e-03  2.9690000000e-03  3.4729000000e-03 -1.7762000000e-03  1.1480000000e-04
+
+JOB 86
+COORDS -5.4721000000e-01  8.1433800000e-01 -4.1816780000e+00 -1.1755870000e+00  7.4130700000e-01 -4.9000380000e+00 -1.8709000000e-02  1.8650000000e-02 -4.2433070000e+00  5.9972700000e-01 -7.8945200000e-01  4.2638060000e+00  6.7307500000e-01 -5.3224300000e-01  3.3447330000e+00 -3.0242000000e-01 -5.7545200000e-01  4.5016420000e+00
+ENERGY -1.526542424964e+02
+FORCES -3.8190000000e-04 -3.5074000000e-03 -3.3376000000e-03  2.5553000000e-03  2.8430000000e-04  2.9659000000e-03 -2.1783000000e-03  3.2440000000e-03  3.4220000000e-04 -3.3927000000e-03  2.0253000000e-03 -2.8385000000e-03 -2.6850000000e-04 -1.1314000000e-03  3.7884000000e-03  3.6662000000e-03 -9.1490000000e-04 -9.2040000000e-04
+
+JOB 87
+COORDS -3.4285100000e-01 -3.4178420000e+00 -2.7587940000e+00 -6.1720600000e-01 -2.5498650000e+00 -3.0547270000e+00 -9.5085300000e-01 -3.6335900000e+00 -2.0516740000e+00  3.5589700000e-01  3.3741950000e+00  2.6806120000e+00  2.2977800000e-01  3.9357060000e+00  3.4454860000e+00  1.1602760000e+00  2.8903970000e+00  2.8680800000e+00
+ENERGY -1.526542369945e+02
+FORCES -3.6244000000e-03  2.7669000000e-03  1.7073000000e-03  1.1284000000e-03 -3.5978000000e-03  1.1572000000e-03  2.4884000000e-03  8.0710000000e-04 -2.8829000000e-03  2.8342000000e-03  3.6670000000e-04  3.9079000000e-03  4.9630000000e-04 -2.3032000000e-03 -3.1210000000e-03 -3.3229000000e-03  1.9604000000e-03 -7.6850000000e-04
+
+JOB 88
+COORDS -1.1858400000e-01 -2.6995700000e+00 -4.2214740000e+00 -3.5343100000e-01 -2.5437310000e+00 -5.1362380000e+00  3.6232900000e-01 -1.9143260000e+00 -3.9600440000e+00  8.0629000000e-02  2.5940830000e+00  4.2918030000e+00  1.0135880000e+00  2.7434470000e+00  4.1384770000e+00 -3.4997400000e-01  3.3636690000e+00  3.9195810000e+00
+ENERGY -1.526539922667e+02
+FORCES  9.7910000000e-04  3.8255000000e-03 -2.6202000000e-03  9.6670000000e-04 -6.2800000000e-04  3.7275000000e-03 -1.9429000000e-03 -3.1874000000e-03 -1.0987000000e-03  2.0322000000e-03  3.7235000000e-03 -2.1031000000e-03 -3.8071000000e-03 -5.9780000000e-04  5.9790000000e-04  1.7721000000e-03 -3.1359000000e-03  1.4966000000e-03
+
+JOB 89
+COORDS  1.2029940000e+00 -6.2623030000e+00  2.5839100000e+00  1.5562280000e+00 -6.1200630000e+00  1.7057160000e+00  7.0576200000e-01 -7.0771870000e+00  2.5135020000e+00 -1.2343390000e+00  6.2771910000e+00 -2.5854090000e+00 -3.0597300000e-01  6.1141150000e+00 -2.4187510000e+00 -1.5197400000e+00  6.8155280000e+00 -1.8471880000e+00
+ENERGY -1.526540985986e+02
+FORCES -6.0580000000e-04 -2.7473000000e-03 -3.8809000000e-03 -1.4286000000e-03 -5.7670000000e-04  3.5886000000e-03  2.0344000000e-03  3.3214000000e-03  2.9260000000e-04  2.6195000000e-03  1.5243000000e-03  3.7150000000e-03 -3.7831000000e-03  6.6650000000e-04 -6.9480000000e-04  1.1635000000e-03 -2.1882000000e-03 -3.0205000000e-03
+
+JOB 0
+COORDS -1.1972260000e+00 -3.2723900000e-01  7.6919000000e-02 -1.5312480000e+00 -3.8309300000e-01 -8.1836900000e-01 -1.7312960000e+00  3.5099200000e-01  4.9044500000e-01  1.2841050000e+00  3.3329000000e-01 -8.6924000000e-02  1.6807710000e+00 -3.5753500000e-01  4.4378100000e-01  3.4287500000e-01  2.3662500000e-01  5.7902000000e-02
+ENERGY -1.526573512613e+02
+FORCES  1.0040400000e-02  2.8146000000e-03 -4.1230000000e-03  1.3232000000e-03  1.4218000000e-03  5.7035000000e-03  5.3405000000e-03 -2.8030000000e-03 -3.2989000000e-03 -2.1895400000e-02 -8.3440000000e-03  3.0764000000e-03 -1.5875000000e-03  1.4902000000e-03 -1.1229000000e-03  6.7788000000e-03  5.4204000000e-03 -2.3510000000e-04
+
+JOB 1
+COORDS -9.4596100000e-01  8.5894600000e-01  1.1857500000e-01 -1.6974630000e+00  5.6055000000e-01 -3.9371100000e-01 -6.7178600000e-01  1.6707520000e+00 -3.0807500000e-01  1.0069360000e+00 -9.0666800000e-01 -1.1730600000e-01  1.1496740000e+00 -1.2596090000e+00  7.6092500000e-01  2.9690900000e-01 -2.7389500000e-01 -9.1750000000e-03
+ENERGY -1.526601058507e+02
+FORCES  4.7051000000e-03 -3.8463000000e-03 -3.6591000000e-03  4.9938000000e-03  1.8987000000e-03  2.3018000000e-03 -1.7608000000e-03 -5.3486000000e-03  1.6402000000e-03 -1.3961700000e-02  1.2308100000e-02  4.2027000000e-03 -1.4203000000e-03  1.6344000000e-03 -2.0293000000e-03  7.4439000000e-03 -6.6463000000e-03 -2.4564000000e-03
+
+JOB 2
+COORDS -2.4112800000e-01  1.2332660000e+00  2.3556000000e-01 -1.0607090000e+00  1.7258770000e+00  1.9250600000e-01  3.7711500000e-01  1.7504210000e+00 -2.8073400000e-01  2.4890000000e-01 -1.3340650000e+00 -2.5515100000e-01  5.1731100000e-01 -1.4968960000e+00  6.4910100000e-01  1.4297000000e-02 -4.0622100000e-01 -2.7247300000e-01
+ENERGY -1.526592805332e+02
+FORCES -2.8510000000e-04 -4.4531000000e-03 -2.0217000000e-03  5.1509000000e-03 -1.7223000000e-03 -1.7300000000e-04 -4.2601000000e-03 -4.0432000000e-03  2.0962000000e-03 -3.9134000000e-03  1.6688300000e-02  6.7330000000e-03 -3.0920000000e-04 -2.8390000000e-04 -2.2073000000e-03  3.6169000000e-03 -6.1857000000e-03 -4.4272000000e-03
+
+JOB 3
+COORDS -5.7703300000e-01 -7.5619700000e-01 -8.5142900000e-01 -1.1253860000e+00 -6.2870200000e-01 -1.6255640000e+00 -4.0903000000e-02 -1.5211250000e+00 -1.0604330000e+00  5.7422400000e-01  8.6237500000e-01  9.2109000000e-01  1.1753770000e+00  2.4306300000e-01  1.3349740000e+00  3.4984000000e-02  3.2320800000e-01  3.4251400000e-01
+ENERGY -1.526584831959e+02
+FORCES  4.7223000000e-03  5.0849000000e-03  2.7990000000e-03  3.3735000000e-03 -2.2603000000e-03  3.0794000000e-03 -3.1575000000e-03  3.6291000000e-03  5.6860000000e-04 -6.6587000000e-03 -1.1124900000e-02 -1.0401000000e-02 -1.6101000000e-03  7.1570000000e-04 -2.0723000000e-03  3.3304000000e-03  3.9555000000e-03  6.0264000000e-03
+
+JOB 4
+COORDS -1.0232700000e+00 -7.5399600000e-01 -5.5797900000e-01 -5.5179400000e-01 -1.0709470000e+00 -1.3283580000e+00 -3.5341700000e-01 -3.2299200000e-01 -2.7165000000e-02  9.5892900000e-01  6.8951000000e-01  5.3199900000e-01  8.7514800000e-01  1.6023390000e+00  2.5640000000e-01  1.0284250000e+00  7.3218100000e-01  1.4857190000e+00
+ENERGY -1.526601397026e+02
+FORCES  1.4649300000e-02  7.7935000000e-03  5.3174000000e-03 -1.2061000000e-03  1.3355000000e-03  1.7131000000e-03 -7.6779000000e-03 -5.0712000000e-03 -1.8988000000e-03 -5.1708000000e-03  6.0750000000e-04 -2.0693000000e-03  9.9640000000e-04 -4.7273000000e-03  2.4361000000e-03 -1.5910000000e-03  6.2000000000e-05 -5.4985000000e-03
+
+JOB 5
+COORDS  4.3943800000e-01 -1.2500670000e+00 -3.2446500000e-01  1.4687000000e-01 -3.4083000000e-01 -3.8711200000e-01  8.2662600000e-01 -1.4370500000e+00 -1.1796580000e+00 -4.1484800000e-01  1.1652710000e+00  4.0669300000e-01 -1.3187070000e+00  1.4521960000e+00  5.3686300000e-01 -8.1758000000e-02  1.7302450000e+00 -2.9050700000e-01
+ENERGY -1.526562390808e+02
+FORCES -5.1003000000e-03  1.1631200000e-02  4.1138000000e-03  5.4850000000e-03 -5.1100000000e-03 -7.3411000000e-03 -1.9291000000e-03  3.7983000000e-03  2.7465000000e-03 -2.0108000000e-03 -2.4727000000e-03 -2.9340000000e-04  5.2189000000e-03 -3.7700000000e-04 -9.8360000000e-04 -1.6637000000e-03 -7.4696000000e-03  1.7579000000e-03
+
+JOB 6
+COORDS  7.2530900000e-01  6.6221100000e-01 -8.4099300000e-01  8.0135000000e-01  7.5326600000e-01 -1.7908130000e+00  1.6165350000e+00  7.8904900000e-01 -5.1563100000e-01 -7.8578700000e-01 -6.4337700000e-01  9.3136400000e-01 -1.1109780000e+00 -1.5132510000e+00  6.9941500000e-01 -2.9239200000e-01 -3.5863400000e-01  1.6213400000e-01
+ENERGY -1.526599807478e+02
+FORCES -9.5080000000e-04 -2.1126000000e-03  3.3840000000e-03  8.2220000000e-04 -4.5230000000e-04  4.8684000000e-03 -4.2931000000e-03 -5.7160000000e-04 -3.2532000000e-03  7.0558000000e-03  5.6732000000e-03 -1.0482100000e-02  1.7927000000e-03  3.0885000000e-03 -1.1204000000e-03 -4.4268000000e-03 -5.6252000000e-03  6.6033000000e-03
+
+JOB 7
+COORDS  4.6289800000e-01 -1.2305060000e+00  2.7370000000e-03  1.4023210000e+00 -1.2097110000e+00  1.8517700000e-01  3.9455400000e-01 -1.6453420000e+00 -8.5718900000e-01 -5.7209900000e-01  1.2773140000e+00  5.9033000000e-02  1.7202700000e-01  1.7626660000e+00 -2.9725700000e-01 -3.2397000000e-01  3.5726100000e-01 -3.1330000000e-02
+ENERGY -1.526592402125e+02
+FORCES  2.0114000000e-03  3.8110000000e-03 -4.7020000000e-04 -4.7899000000e-03 -1.3470000000e-04 -2.3703000000e-03  7.8800000000e-04  3.8471000000e-03  4.4782000000e-03  7.9395000000e-03 -1.4255900000e-02 -8.2890000000e-04 -1.3709000000e-03 -1.9275000000e-03  1.0097000000e-03 -4.5780000000e-03  8.6600000000e-03 -1.8184000000e-03
+
+JOB 8
+COORDS  7.5448000000e-01 -9.5559900000e-01 -5.4994400000e-01 -1.5828000000e-02 -1.2194450000e+00 -1.0531760000e+00  9.5449200000e-01 -1.7143860000e+00 -1.7920000000e-03 -7.5047900000e-01  1.0026640000e+00  6.0331500000e-01 -6.7628700000e-01  1.8574290000e+00  1.7892800000e-01 -2.8628800000e-01  4.0341600000e-01  1.8799000000e-02
+ENERGY -1.526578860866e+02
+FORCES -2.2555000000e-03 -1.9007000000e-03  5.6253000000e-03  2.6900000000e-03  5.9554000000e-03  5.3140000000e-03 -1.1339000000e-03  2.7400000000e-03 -4.2139000000e-03  1.0077700000e-02 -7.3446000000e-03 -5.1076000000e-03  5.3450000000e-04 -3.7819000000e-03  1.0230000000e-04 -9.9128000000e-03  4.3319000000e-03 -1.7201000000e-03
+
+JOB 9
+COORDS -1.9362700000e-01  6.1337900000e-01 -1.1508340000e+00  3.3751300000e-01  4.8019000000e-02 -1.7116290000e+00 -1.0094080000e+00  7.3508700000e-01 -1.6365500000e+00  1.7986800000e-01 -6.2794800000e-01  1.2597800000e+00 -1.8731100000e-01 -2.6677800000e-01  4.5295400000e-01  1.0784310000e+00 -2.9888300000e-01  1.2828720000e+00
+ENERGY -1.526597773430e+02
+FORCES  3.2610000000e-04 -2.7449000000e-03 -3.3080000000e-04 -3.1682000000e-03  2.8366000000e-03  3.8360000000e-03  4.5077000000e-03 -1.6501000000e-03  2.5287000000e-03 -4.9790000000e-04  9.6516000000e-03 -1.2429200000e-02  5.6210000000e-04 -6.2237000000e-03  6.6274000000e-03 -1.7297000000e-03 -1.8695000000e-03 -2.3220000000e-04
+
+JOB 10
+COORDS  1.1389960000e+00  4.8171000000e-01 -5.0837300000e-01  1.4227670000e+00  5.3274800000e-01  4.0437000000e-01  1.3951210000e+00  1.3228360000e+00 -8.8671100000e-01 -1.1873660000e+00 -5.9266500000e-01  4.4420400000e-01 -4.0247700000e-01 -5.6952000000e-02  3.2934600000e-01 -1.7234450000e+00 -1.0240800000e-01  1.0675010000e+00
+ENERGY -1.526554883724e+02
+FORCES -1.5620000000e-04  2.1422000000e-03 -2.5580000000e-04 -8.3764000000e-03 -6.0560000000e-04 -4.4154000000e-03 -5.4540000000e-04 -4.4082000000e-03  2.6446000000e-03  7.6476000000e-03  6.1782000000e-03 -5.4438000000e-03 -2.1979000000e-03 -2.9003000000e-03  9.8564000000e-03  3.6283000000e-03 -4.0630000000e-04 -2.3860000000e-03
+
+JOB 11
+COORDS  1.8208300000e-01 -4.5852700000e-01 -1.3090500000e+00  2.9139300000e-01 -2.8510500000e-01 -3.7405900000e-01  4.0794900000e-01 -1.3832430000e+00 -1.4096270000e+00 -1.9064300000e-01  4.7586300000e-01  1.2033860000e+00 -5.5257400000e-01  3.1463000000e-02  1.9700320000e+00 -2.2920000000e-02  1.3699560000e+00  1.5012070000e+00
+ENERGY -1.526594565751e+02
+FORCES -1.1889000000e-03  2.9930000000e-03  1.1759600000e-02  2.5755000000e-03 -4.0682000000e-03 -7.9467000000e-03 -1.1422000000e-03  2.7783000000e-03  2.1971000000e-03 -7.3700000000e-04  1.3720000000e-04 -2.9908000000e-03  2.0267000000e-03  2.8453000000e-03 -3.1002000000e-03 -1.5340000000e-03 -4.6855000000e-03  8.0900000000e-05
+
+JOB 12
+COORDS -2.9119700000e-01 -1.0279140000e+00  7.9522600000e-01 -1.1956260000e+00 -1.3357210000e+00  7.3609800000e-01  2.3530500000e-01 -1.8272750000e+00  7.8813000000e-01  2.9201500000e-01  1.1406330000e+00 -8.2854000000e-01 -2.7012700000e-01  4.4868400000e-01 -4.8006700000e-01  1.1681210000e+00  9.2017600000e-01 -5.1220300000e-01
+ENERGY -1.526575290549e+02
+FORCES  1.4443000000e-03 -1.5010000000e-03 -1.9691000000e-03  5.0879000000e-03  2.9251000000e-03 -1.6532000000e-03 -2.7542000000e-03  3.9802000000e-03  4.9060000000e-04  5.8210000000e-04 -1.1946700000e-02  1.0292500000e-02 -3.8975000000e-03  4.7195000000e-03 -4.8962000000e-03 -4.6240000000e-04  1.8228000000e-03 -2.2646000000e-03
+
+JOB 13
+COORDS -5.2282800000e-01  3.7281800000e-01 -1.1863400000e+00 -1.2223780000e+00  1.0247390000e+00 -1.2294740000e+00 -9.6009100000e-01 -4.6037500000e-01 -1.3619070000e+00  5.9039400000e-01 -4.3354800000e-01  1.2208550000e+00  5.8044600000e-01 -6.6513000000e-02  3.3687600000e-01  5.4095200000e-01  3.2866800000e-01  1.7977550000e+00
+ENERGY -1.526592948569e+02
+FORCES -4.3028000000e-03 -2.3368000000e-03  4.9048000000e-03  2.5436000000e-03 -3.3333000000e-03 -1.6040000000e-04  2.1763000000e-03  4.6107000000e-03  2.8060000000e-04 -4.6479000000e-03  7.5191000000e-03 -9.5531000000e-03  4.4677000000e-03 -4.4552000000e-03  6.3218000000e-03 -2.3690000000e-04 -2.0045000000e-03 -1.7938000000e-03
+
+JOB 14
+COORDS -1.0344350000e+00 -7.9668300000e-01  3.5869500000e-01 -1.8088770000e+00 -2.4954300000e-01  4.8949500000e-01 -1.2160220000e+00 -1.2810140000e+00 -4.4671200000e-01  1.0879530000e+00  8.3828900000e-01 -3.5813700000e-01  1.8713340000e+00  5.8864900000e-01  1.3199200000e-01  4.2071800000e-01  2.1089100000e-01 -7.9926000000e-02
+ENERGY -1.526617398357e+02
+FORCES -2.4911000000e-03  2.5185000000e-03 -2.5124000000e-03  3.8849000000e-03 -3.3820000000e-03 -1.4316000000e-03  1.6184000000e-03  3.7067000000e-03  4.1493000000e-03 -8.4700000000e-03 -8.6212000000e-03  5.7737000000e-03 -2.9296000000e-03 -1.1690000000e-04 -1.1360000000e-03  8.3874000000e-03  5.8949000000e-03 -4.8430000000e-03
+
+JOB 15
+COORDS -5.3113700000e-01  8.2998900000e-01 -9.4826100000e-01 -1.4744970000e+00  9.7401400000e-01 -8.7369800000e-01 -4.5024900000e-01  4.6201000000e-02 -1.4917360000e+00  5.9242100000e-01 -8.6222600000e-01  9.6484200000e-01  1.0070710000e+00 -3.4345700000e-01  1.6541710000e+00  5.7561000000e-02 -2.3352500000e-01  4.8018600000e-01
+ENERGY -1.526603484711e+02
+FORCES -1.2548000000e-03 -2.5686000000e-03 -3.5834000000e-03  5.4265000000e-03 -1.9113000000e-03  8.4770000000e-04 -1.0586000000e-03  3.8721000000e-03  5.9921000000e-03 -3.5147000000e-03  1.1002900000e-02 -5.6583000000e-03 -1.7572000000e-03 -1.0892000000e-03 -2.0792000000e-03  2.1589000000e-03 -9.3059000000e-03  4.4810000000e-03
+
+JOB 16
+COORDS -1.2804380000e+00  6.4096000000e-01  1.9437200000e-01 -9.4167400000e-01  1.2656530000e+00 -4.4690000000e-01 -6.3112700000e-01 -6.2148000000e-02  2.1067100000e-01  1.2381040000e+00 -5.7405000000e-01 -1.7071300000e-01  1.4100640000e+00 -1.0259000000e+00  6.5541900000e-01  8.5100600000e-01 -1.2437720000e+00 -7.3450300000e-01
+ENERGY -1.526567148359e+02
+FORCES  1.4635800000e-02 -1.7361000000e-03 -3.3583000000e-03 -3.0863000000e-03 -9.4400000000e-04  1.1688000000e-03 -7.4662000000e-03 -3.2647000000e-03  1.0180000000e-03  8.1740000000e-04 -2.2931000000e-03  8.7920000000e-04 -3.4506000000e-03  2.6274000000e-03 -4.6186000000e-03 -1.4501000000e-03  5.6105000000e-03  4.9109000000e-03
+
+JOB 17
+COORDS -5.5665100000e-01  1.2949490000e+00  2.4671600000e-01 -6.1637000000e-01  1.8568520000e+00 -5.2589700000e-01 -3.0936900000e-01  4.3724400000e-01 -9.8863000000e-02  4.8846400000e-01 -1.2648150000e+00 -2.0557200000e-01  8.3202500000e-01 -1.1786980000e+00  6.8368700000e-01  1.2284670000e+00 -1.5899830000e+00 -7.1830200000e-01
+ENERGY -1.526610408662e+02
+FORCES  3.1139000000e-03 -8.8439000000e-03 -5.9835000000e-03  6.5750000000e-04 -2.3439000000e-03  1.7869000000e-03 -2.7691000000e-03  8.4898000000e-03  5.2073000000e-03  4.2156000000e-03  9.9170000000e-04  1.6528000000e-03 -2.2049000000e-03  5.6310000000e-04 -5.8840000000e-03 -3.0130000000e-03  1.1432000000e-03  3.2205000000e-03
+
+JOB 18
+COORDS  4.0197300000e-01 -4.9824000000e-02  1.2971630000e+00 -9.2933000000e-02  6.7322200000e-01  1.6825260000e+00  9.8899900000e-01 -3.3821900000e-01  1.9960630000e+00 -3.7869600000e-01  9.9300000000e-03 -1.4183810000e+00 -1.2545400000e+00  3.7175300000e-01 -1.2834220000e+00 -1.5484000000e-02 -7.4573000000e-02 -5.3681000000e-01
+ENERGY -1.526599334054e+02
+FORCES  1.0985000000e-03  5.1000000000e-04  9.3940000000e-04  2.1326000000e-03 -3.9011000000e-03 -2.2759000000e-03 -3.5607000000e-03  2.5736000000e-03 -1.8371000000e-03  1.4868000000e-03 -8.9480000000e-04  1.0710300000e-02  2.7535000000e-03 -3.9520000000e-04  3.7920000000e-04 -3.9108000000e-03  2.1074000000e-03 -7.9159000000e-03
+
+JOB 19
+COORDS -4.2906000000e-01 -1.1026770000e+00 -7.6882900000e-01 -1.3364610000e+00 -8.8713700000e-01 -5.5342700000e-01 -3.1487800000e-01 -7.9064900000e-01 -1.6665100000e+00  4.5264600000e-01  1.1417090000e+00  7.8086800000e-01  4.7397100000e-01  8.1433900000e-01  1.6800930000e+00  7.1313700000e-01  3.9171300000e-01  2.4618800000e-01
+ENERGY -1.526587196378e+02
+FORCES -5.8395000000e-03  5.0741000000e-03 -2.8870000000e-04  3.6390000000e-03 -2.5073000000e-03 -1.8326000000e-03  6.2050000000e-04 -4.7390000000e-04  5.0313000000e-03 -9.7420000000e-04 -1.0519900000e-02 -2.4210000000e-03 -7.4510000000e-04  1.1435000000e-03 -2.9219000000e-03  3.2994000000e-03  7.2835000000e-03  2.4330000000e-03
+
+JOB 20
+COORDS  3.2461900000e-01  1.3292030000e+00 -1.3866600000e-01 -3.8900300000e-01  1.9195210000e+00 -3.8053500000e-01  9.7635200000e-01  1.4446060000e+00 -8.3015600000e-01 -3.1694200000e-01 -1.3983550000e+00  2.6136600000e-01 -3.1451800000e-01 -1.8931230000e+00 -5.5804200000e-01 -3.3535600000e-01 -4.8123800000e-01 -1.2111000000e-02
+ENERGY -1.526596666436e+02
+FORCES  2.4842000000e-03  2.3443000000e-03 -2.1751000000e-03  3.3733000000e-03 -4.7444000000e-03  5.8480000000e-04 -4.2955000000e-03 -5.2500000000e-04  2.9187000000e-03  2.4466000000e-03  1.0088900000e-02 -3.2395000000e-03  5.1350000000e-04  2.7447000000e-03  2.0658000000e-03 -4.5221000000e-03 -9.9085000000e-03 -1.5470000000e-04
+
+JOB 21
+COORDS  1.2388540000e+00  6.3721900000e-01 -2.2695500000e-01  1.8748870000e+00  1.1221900000e-01  2.5891300000e-01  1.0488820000e+00  1.3777160000e+00  3.4907200000e-01 -1.3006320000e+00 -6.9974200000e-01  1.2989300000e-01 -3.6386900000e-01 -5.0305600000e-01  1.3454600000e-01 -1.6903680000e+00 -2.4605000000e-02  6.8534600000e-01
+ENERGY -1.526577729621e+02
+FORCES  2.4691000000e-03  3.6982000000e-03  2.2831000000e-03 -6.1739000000e-03  1.5654000000e-03 -1.9808000000e-03 -3.0950000000e-04 -5.1759000000e-03 -2.1877000000e-03  9.0283000000e-03  7.3651000000e-03 -1.1298000000e-03 -6.6517000000e-03 -5.7777000000e-03  4.4792000000e-03  1.6377000000e-03 -1.6750000000e-03 -1.4640000000e-03
+
+JOB 22
+COORDS  1.2185670000e+00  4.5511100000e-01 -6.7895500000e-01  1.2425630000e+00  1.3991860000e+00 -8.3509100000e-01  4.2686100000e-01  3.1794600000e-01 -1.5874300000e-01 -1.1743100000e+00 -4.4275500000e-01  6.1725000000e-01 -1.4651650000e+00 -1.3213500000e+00  3.7290200000e-01 -9.2132800000e-01 -5.2086900000e-01  1.5371040000e+00
+ENERGY -1.526613495104e+02
+FORCES -9.6015000000e-03 -8.1430000000e-04  3.3652000000e-03 -9.0380000000e-04 -3.0129000000e-03  1.2352000000e-03  1.0078300000e-02  4.3124000000e-03 -1.9390000000e-03 -3.2550000000e-04 -5.4635000000e-03  2.4530000000e-04  7.5880000000e-04  4.0831000000e-03  2.6714000000e-03 -6.3000000000e-06  8.9510000000e-04 -5.5781000000e-03
+
+JOB 23
+COORDS  1.0573860000e+00  9.0082700000e-01  2.2363200000e-01  1.6782090000e+00  4.6771200000e-01 -3.6221900000e-01  1.4421350000e+00  8.0435400000e-01  1.0947770000e+00 -1.1294150000e+00 -8.6002400000e-01 -3.0414400000e-01 -6.0341500000e-01 -2.9189900000e-01  2.5869600000e-01 -1.5157460000e+00 -1.4994930000e+00  2.9423700000e-01
+ENERGY -1.526594233720e+02
+FORCES  5.1318000000e-03 -2.3690000000e-03 -2.8363000000e-03 -2.0923000000e-03  2.6865000000e-03  4.0081000000e-03 -3.7447000000e-03 -1.2023000000e-03 -4.0678000000e-03  5.1800000000e-03  5.4948000000e-03  3.6342000000e-03 -7.2668000000e-03 -7.6051000000e-03  3.2620000000e-04  2.7921000000e-03  2.9950000000e-03 -1.0643000000e-03
+
+JOB 24
+COORDS -1.1238310000e+00 -2.6651000000e-02 -9.4552500000e-01 -3.0971500000e-01  1.2678500000e-01 -4.6604200000e-01 -9.5658400000e-01  3.2336800000e-01 -1.8205940000e+00  1.0279430000e+00 -1.7029000000e-02  9.1942900000e-01  1.9749730000e+00  1.1829600000e-01  8.8697400000e-01  7.9546400000e-01  1.3218800000e-01  1.8359000000e+00
+ENERGY -1.526610985631e+02
+FORCES  8.3401000000e-03  8.7370000000e-04  4.2186000000e-03 -7.6396000000e-03  7.6730000000e-04 -6.8923000000e-03  6.6040000000e-04 -9.9990000000e-04  3.0890000000e-03  3.8530000000e-04  3.1880000000e-04  2.7663000000e-03 -4.4149000000e-03 -3.8500000000e-04  8.9770000000e-04  2.6687000000e-03 -5.7490000000e-04 -4.0793000000e-03
+
+JOB 25
+COORDS  1.2091500000e+00 -3.2720500000e-01 -6.5006900000e-01  1.1035210000e+00 -1.2589190000e+00 -4.5776300000e-01  1.2745900000e+00 -2.8498300000e-01 -1.6040950000e+00 -1.2307580000e+00  3.7073200000e-01  7.6443800000e-01 -4.3571100000e-01  3.4846000000e-02  3.5053900000e-01 -1.6517840000e+00  8.9631000000e-01  8.4191000000e-02
+ENERGY -1.526594155619e+02
+FORCES  9.7550000000e-04 -2.3315000000e-03 -4.2525000000e-03 -2.3345000000e-03  6.6161000000e-03 -1.6690000000e-04 -3.1220000000e-04 -7.0870000000e-04  4.7815000000e-03  8.5756000000e-03  1.0502000000e-03 -7.9578000000e-03 -7.5955000000e-03 -3.0302000000e-03  5.6494000000e-03  6.9110000000e-04 -1.5958000000e-03  1.9463000000e-03
+
+JOB 26
+COORDS  8.0697300000e-01 -6.3899000000e-01  1.0695040000e+00  4.9307300000e-01 -1.5422010000e+00  1.1131960000e+00  4.9140500000e-01 -3.1581000000e-01  2.2558300000e-01 -7.2072700000e-01  6.3155400000e-01 -1.0476910000e+00 -8.7414000000e-01  1.5572280000e+00 -1.2369660000e+00 -1.4173830000e+00  3.9297900000e-01 -4.3614800000e-01
+ENERGY -1.526601177624e+02
+FORCES -2.3114000000e-03  1.5454000000e-03 -8.0681000000e-03 -3.7540000000e-04  3.7611000000e-03 -5.7410000000e-04  9.8020000000e-04 -5.5678000000e-03  8.3395000000e-03 -2.8769000000e-03  4.7678000000e-03  2.2237000000e-03 -6.9670000000e-04 -4.4132000000e-03  8.8520000000e-04  5.2801000000e-03 -9.3300000000e-05 -2.8062000000e-03
+
+JOB 27
+COORDS  6.4127900000e-01  3.2941800000e-01 -1.2306890000e+00  1.4322390000e+00 -1.0778000000e-01 -9.1529500000e-01  8.8666800000e-01  1.2523900000e+00 -1.2950120000e+00 -7.2709800000e-01 -4.1918700000e-01  1.2426900000e+00 -4.0551900000e-01 -2.6370000000e-01  3.5463500000e-01 -6.7175700000e-01  4.3506300000e-01  1.6709710000e+00
+ENERGY -1.526603325689e+02
+FORCES  4.7390000000e-03  2.8354000000e-03  1.3370000000e-04 -5.5888000000e-03  2.6408000000e-03 -2.8090000000e-04 -7.4270000000e-04 -4.6794000000e-03  9.3740000000e-04  3.1708000000e-03  6.1469000000e-03 -8.6218000000e-03 -1.7714000000e-03 -4.4749000000e-03  8.8577000000e-03  1.9310000000e-04 -2.4687000000e-03 -1.0261000000e-03
+
+JOB 28
+COORDS -6.6793700000e-01 -7.7886700000e-01 -1.0565900000e+00 -1.4936000000e-02 -2.2650500000e-01 -6.2680200000e-01 -1.8461100000e-01 -1.2250830000e+00 -1.7519450000e+00  5.9189400000e-01  7.8952000000e-01  1.0096680000e+00  4.3968000000e-02  1.0868250000e+00  1.7360420000e+00  1.2425820000e+00  2.1845700000e-01  1.4179880000e+00
+ENERGY -1.526601691840e+02
+FORCES  4.6921000000e-03  5.1530000000e-03  4.1599000000e-03 -1.9116000000e-03 -6.8582000000e-03 -7.7406000000e-03 -3.5560000000e-04  1.9444000000e-03  3.4963000000e-03 -3.2047000000e-03 -1.4340000000e-03  5.0377000000e-03  3.9513000000e-03 -1.1251000000e-03 -2.0614000000e-03 -3.1715000000e-03  2.3199000000e-03 -2.8919000000e-03
+
+JOB 29
+COORDS -4.9621400000e-01 -1.3064280000e+00  3.1850200000e-01 -8.4508100000e-01 -1.4715450000e+00 -5.5743200000e-01 -1.2699510000e+00 -1.1457020000e+00  8.5862200000e-01  6.2376100000e-01  1.3135900000e+00 -3.2657900000e-01  2.6104200000e-01  5.4876900000e-01  1.2031600000e-01 -7.7897000000e-02  1.9639990000e+00 -2.9698400000e-01
+ENERGY -1.526599403816e+02
+FORCES -4.2284000000e-03 -2.8102000000e-03 -3.4281000000e-03  1.0035000000e-03  1.2857000000e-03  5.2376000000e-03  4.5443000000e-03  1.5933000000e-03 -3.4052000000e-03 -4.6964000000e-03 -7.4003000000e-03  3.6053000000e-03  1.8660000000e-03  1.0521500000e-02 -2.0660000000e-03  1.5110000000e-03 -3.1901000000e-03  5.6300000000e-05
+
+JOB 30
+COORDS  1.0048580000e+00 -1.0332600000e+00 -4.4110800000e-01  1.4716630000e+00 -2.1405800000e-01 -6.0612900000e-01  8.3733000000e-02 -8.1839000000e-01 -5.8804500000e-01 -9.1478300000e-01  9.8885900000e-01  4.7712100000e-01 -1.5428510000e+00  1.4238980000e+00 -9.9511000000e-02 -1.3725760000e+00  2.0607000000e-01  7.8355200000e-01
+ENERGY -1.526553597780e+02
+FORCES -4.3580000000e-03  1.1173700000e-02  1.3033000000e-03  9.5620000000e-04 -4.1475000000e-03 -8.9860000000e-04  5.5100000000e-05 -5.2716000000e-03  9.0000000000e-05 -3.5520000000e-03 -1.2073000000e-03  2.3237000000e-03  4.0493000000e-03 -3.2633000000e-03  1.7016000000e-03  2.8495000000e-03  2.7160000000e-03 -4.5200000000e-03
+
+JOB 31
+COORDS  1.2846600000e+00 -4.7671800000e-01  2.8481100000e-01  1.3971500000e+00 -1.3807650000e+00  5.7854100000e-01  1.8923540000e+00  2.8478000000e-02  8.2492000000e-01 -1.3799500000e+00  4.8031000000e-01 -2.8906500000e-01 -4.5725700000e-01  2.2949100000e-01 -2.4479500000e-01 -1.4395390000e+00  1.0403530000e+00 -1.0630380000e+00
+ENERGY -1.526619365497e+02
+FORCES  9.0790000000e-04 -1.6311000000e-03  3.8834000000e-03  7.5460000000e-04  4.5872000000e-03 -7.9410000000e-04 -2.2616000000e-03 -3.1529000000e-03 -2.4514000000e-03  8.9808000000e-03 -2.0424000000e-03 -3.1860000000e-04 -9.5605000000e-03  3.9346000000e-03 -2.8710000000e-03  1.1788000000e-03 -1.6953000000e-03  2.5518000000e-03
+
+JOB 32
+COORDS  6.3696000000e-02 -1.1715480000e+00  9.4327400000e-01 -3.2476000000e-01 -1.8263820000e+00  3.6316500000e-01  1.5600000000e-01 -3.9123600000e-01  3.9662500000e-01 -2.4315000000e-02  1.1047010000e+00 -8.8027600000e-01  4.8289900000e-01  1.9090260000e+00 -7.7060300000e-01 -9.3549800000e-01  1.3969510000e+00 -9.0411500000e-01
+ENERGY -1.526617232950e+02
+FORCES -1.8230000000e-04  6.0981000000e-03 -8.7748000000e-03  5.3710000000e-04  2.0025000000e-03  1.8829000000e-03 -2.0090000000e-04 -7.5285000000e-03  6.9953000000e-03 -1.7621000000e-03  4.4047000000e-03  2.9480000000e-04 -3.2362000000e-03 -3.6370000000e-03 -4.7780000000e-04  4.8445000000e-03 -1.3398000000e-03  7.9500000000e-05
+
+JOB 33
+COORDS -2.6625500000e-01 -1.4472640000e+00  3.4524500000e-01  5.8185400000e-01 -1.8429160000e+00  1.4424300000e-01 -5.0540000000e-02 -5.8615200000e-01  7.0327600000e-01  2.3811800000e-01  1.4416560000e+00 -2.9918600000e-01  5.5423500000e-01  1.2509040000e+00 -1.1823150000e+00 -7.0105700000e-01  1.2604950000e+00 -3.3612000000e-01
+ENERGY -1.526582789022e+02
+FORCES  6.8706000000e-03  5.9794000000e-03  3.2810000000e-04 -3.1487000000e-03  9.7800000000e-04  1.8260000000e-04 -4.7893000000e-03 -5.5714000000e-03 -7.5000000000e-05 -3.3054000000e-03 -2.8446000000e-03 -6.9048000000e-03 -7.5820000000e-04  1.4833000000e-03  3.8775000000e-03  5.1311000000e-03 -2.4600000000e-05  2.5915000000e-03
+
+JOB 34
+COORDS  3.0728400000e-01  1.2759820000e+00  5.9760200000e-01  8.0565200000e-01  1.8679840000e+00  3.4224000000e-02 -4.7752300000e-01  1.7714490000e+00  8.3174500000e-01 -3.1584400000e-01 -1.3658470000e+00 -6.3560000000e-01 -2.4543400000e-01 -1.6896630000e+00  2.6240700000e-01  4.9209000000e-02 -4.8166100000e-01 -6.0119700000e-01
+ENERGY -1.526598863458e+02
+FORCES -2.6732000000e-03  4.7975000000e-03  6.7800000000e-04 -3.1199000000e-03 -4.1470000000e-03  1.6388000000e-03  4.3510000000e-03 -1.7620000000e-03 -1.0147000000e-03  2.9325000000e-03  7.8026000000e-03  7.5356000000e-03 -1.0131000000e-03 -7.5570000000e-04 -2.9619000000e-03 -4.7730000000e-04 -5.9353000000e-03 -5.8758000000e-03
+
+JOB 35
+COORDS  1.0609200000e-01  1.1363200000e+00  9.2384400000e-01  9.3174800000e-01  8.1896800000e-01  1.2896470000e+00  3.6112100000e-01  1.8506540000e+00  3.3996100000e-01 -1.7617000000e-01 -1.1714030000e+00 -9.7933200000e-01 -3.2835100000e-01 -1.8281710000e+00 -2.9982600000e-01  2.6909000000e-02 -3.6983600000e-01 -4.9716900000e-01
+ENERGY -1.526595042264e+02
+FORCES  3.5779000000e-03  4.7238000000e-03  2.0957000000e-03 -4.9095000000e-03 -5.7600000000e-05 -3.7777000000e-03 -1.0395000000e-03 -5.5028000000e-03  2.1171000000e-03 -1.6479000000e-03  5.5770000000e-03  8.8104000000e-03  1.2093000000e-03  1.5442000000e-03 -2.2735000000e-03  2.8097000000e-03 -6.2846000000e-03 -6.9721000000e-03
+
+JOB 36
+COORDS  2.4943900000e-01  1.0464080000e+00 -9.6385400000e-01  1.1802610000e+00  1.1654740000e+00 -7.7510500000e-01 -6.8229000000e-02  1.9257430000e+00 -1.1690080000e+00 -3.0496900000e-01 -1.1285170000e+00  1.0240810000e+00 -5.0838900000e-01 -2.5844900000e-01  6.8081200000e-01  2.5321300000e-01 -1.5257690000e+00  3.5560800000e-01
+ENERGY -1.526596454578e+02
+FORCES  3.3280000000e-03  4.1345000000e-03 -1.1516000000e-03 -4.7418000000e-03 -8.9970000000e-04 -9.9060000000e-04  1.7427000000e-03 -4.0769000000e-03  1.5500000000e-03  1.3499000000e-03  5.5196000000e-03 -8.7811000000e-03 -1.1930000000e-03 -4.5416000000e-03  6.1201000000e-03 -4.8590000000e-04 -1.3580000000e-04  3.2532000000e-03
+
+JOB 37
+COORDS -3.2634200000e-01 -1.3103950000e+00  5.1112300000e-01 -6.8113500000e-01 -2.0602680000e+00  3.3583000000e-02 -8.3668300000e-01 -1.2778840000e+00  1.3202750000e+00  4.0824400000e-01  1.4044270000e+00 -5.2988400000e-01 -4.5789000000e-01  1.3127430000e+00 -9.2691900000e-01  5.9050200000e-01  5.4477700000e-01 -1.5038900000e-01
+ENERGY -1.526601283639e+02
+FORCES -3.3060000000e-03 -2.6804000000e-03  1.3813000000e-03  7.4350000000e-04  3.5788000000e-03  2.6168000000e-03  1.9669000000e-03 -6.8130000000e-04 -4.1959000000e-03 -4.4616000000e-03 -9.3341000000e-03  1.6198000000e-03  2.1847000000e-03  2.0291000000e-03  2.4720000000e-04  2.8725000000e-03  7.0880000000e-03 -1.6692000000e-03
+
+JOB 38
+COORDS -3.8346000000e-02 -9.7334400000e-01 -1.1552280000e+00 -4.5320000000e-02 -5.4250000000e-02 -8.8792600000e-01 -6.3003200000e-01 -1.0091900000e+00 -1.9067970000e+00  1.0049900000e-01  8.8312600000e-01  1.1297420000e+00 -6.8924600000e-01  6.7580600000e-01  1.6292950000e+00  4.3808600000e-01  1.6818580000e+00  1.5350730000e+00
+ENERGY -1.526589063970e+02
+FORCES -2.5070000000e-04  5.7806000000e-03  1.8197000000e-03 -1.5729000000e-03 -5.7038000000e-03 -6.7183000000e-03  1.7655000000e-03  7.9120000000e-04  3.4502000000e-03 -1.5695000000e-03  5.6570000000e-04  5.2705000000e-03  3.4949000000e-03  2.2928000000e-03 -2.1810000000e-03 -1.8673000000e-03 -3.7264000000e-03 -1.6412000000e-03
+
+JOB 39
+COORDS -6.7774800000e-01  7.9008500000e-01 -1.0056940000e+00 -2.7034000000e-01  6.1706100000e-01 -1.8544070000e+00 -1.5383350000e+00  1.1493870000e+00 -1.2213890000e+00  7.0047800000e-01 -7.7892500000e-01  1.1321040000e+00  4.4174900000e-01 -2.9223200000e-01  3.4953100000e-01  1.0106830000e+00 -1.6211020000e+00  7.9932400000e-01
+ENERGY -1.526594349377e+02
+FORCES -4.6627000000e-03  1.8032000000e-03 -2.3218000000e-03 -1.4245000000e-03 -3.4510000000e-04  4.9473000000e-03  4.1913000000e-03 -1.2156000000e-03 -9.5220000000e-04 -3.6904000000e-03  2.1311000000e-03 -6.3473000000e-03  6.6787000000e-03 -5.4713000000e-03  4.3625000000e-03 -1.0923000000e-03  3.0978000000e-03  3.1160000000e-04
+
+JOB 40
+COORDS  1.5421000000e-01  1.3457510000e+00 -6.7731300000e-01 -4.5686900000e-01  6.2176300000e-01 -5.4073000000e-01 -3.7228800000e-01  2.0292130000e+00 -1.0919350000e+00 -1.4872000000e-01 -1.3160110000e+00  6.8008900000e-01  5.8961200000e-01 -9.2087100000e-01  1.1437280000e+00  1.6538700000e-01 -2.1829750000e+00  4.2329700000e-01
+ENERGY -1.526604701899e+02
+FORCES -4.4446000000e-03 -3.3457000000e-03 -4.6400000000e-05  2.1311000000e-03  8.1982000000e-03 -2.4454000000e-03  1.3297000000e-03 -3.2930000000e-03  1.4867000000e-03  5.9151000000e-03 -2.0669000000e-03  1.3368000000e-03 -3.9232000000e-03 -3.0297000000e-03 -1.8571000000e-03 -1.0081000000e-03  3.5370000000e-03  1.5254000000e-03
+
+JOB 41
+COORDS -1.2749500000e+00 -7.4118800000e-01 -5.3245400000e-01 -1.7237750000e+00  8.6840000000e-02 -3.6169700000e-01 -3.8655200000e-01 -4.8581400000e-01 -7.8098000000e-01  1.2485200000e+00  6.1748500000e-01  5.1482000000e-01  6.6635800000e-01  1.3386630000e+00  2.7561200000e-01  1.8454300000e+00  9.9508500000e-01  1.1608450000e+00
+ENERGY -1.526543528876e+02
+FORCES  5.2096000000e-03  3.5192000000e-03  2.2373000000e-03  2.2508000000e-03 -2.1364000000e-03 -7.4450000000e-04 -6.2190000000e-03  7.3150000000e-04 -1.7018000000e-03  6.7450000000e-04  3.6350000000e-03  3.7013000000e-03  1.2520000000e-03 -4.6259000000e-03 -8.6300000000e-04 -3.1678000000e-03 -1.1235000000e-03 -2.6293000000e-03
+
+JOB 42
+COORDS -7.8449900000e-01  8.3184300000e-01 -9.4108100000e-01 -2.6517200000e-01  1.6153690000e+00 -1.1216840000e+00 -1.6423750000e+00  1.1672720000e+00 -6.8075800000e-01  8.7014200000e-01 -9.0038700000e-01  9.3957200000e-01  3.0345900000e-01 -6.3473100000e-01  2.1532800000e-01  2.6759400000e-01 -1.0891770000e+00  1.6589650000e+00
+ENERGY -1.526604506670e+02
+FORCES -7.3770000000e-04  5.9043000000e-03  6.3300000000e-04 -3.3219000000e-03 -3.2711000000e-03  5.0130000000e-04  3.9806000000e-03 -1.1962000000e-03 -1.0271000000e-03 -7.1509000000e-03  3.4458000000e-03 -3.4098000000e-03  5.4158000000e-03 -5.5422000000e-03  5.4004000000e-03  1.8141000000e-03  6.5950000000e-04 -2.0977000000e-03
+
+JOB 43
+COORDS -6.7294500000e-01  1.9530300000e-01  1.4076500000e+00 -1.6031350000e+00 -1.6189000000e-02  1.3286010000e+00 -3.5866700000e-01  2.3678400000e-01  5.0446600000e-01  6.7170500000e-01 -2.1367700000e-01 -1.3066530000e+00  9.0395900000e-01 -4.6768700000e-01 -2.1998320000e+00  1.1649150000e+00  5.9162300000e-01 -1.1502320000e+00
+ENERGY -1.526586434924e+02
+FORCES -1.3887000000e-03 -3.2498000000e-03 -7.2270000000e-03  2.8940000000e-03  7.9120000000e-04  7.1330000000e-04 -4.5660000000e-04  4.7701000000e-03  6.7556000000e-03  3.5520000000e-03 -5.7900000000e-05 -4.6384000000e-03 -5.1000000000e-06  1.7046000000e-03  3.7821000000e-03 -4.5956000000e-03 -3.9583000000e-03  6.1450000000e-04
+
+JOB 44
+COORDS  7.0682100000e-01 -8.0989900000e-01  1.1999440000e+00 -9.4049000000e-02 -3.1342900000e-01  1.0315500000e+00  1.2108400000e+00 -7.3437000000e-01  3.8970200000e-01 -7.1806100000e-01  7.1145200000e-01 -1.1284470000e+00  1.0239300000e-01  9.3051100000e-01 -1.5701470000e+00 -1.0589650000e+00  1.5526330000e+00 -8.2442200000e-01
+ENERGY -1.526570723179e+02
+FORCES -4.3551000000e-03  3.4590000000e-03 -8.2539000000e-03  2.9134000000e-03 -1.6114000000e-03  5.5487000000e-03  9.3920000000e-04 -4.1440000000e-04  2.7331000000e-03  1.7208000000e-03  5.0792000000e-03 -2.7560000000e-03 -3.1237000000e-03 -1.8458000000e-03  3.0090000000e-03  1.9054000000e-03 -4.6665000000e-03 -2.8090000000e-04
+
+JOB 45
+COORDS  6.6152300000e-01  3.4767600000e-01  1.3780560000e+00 -2.5677600000e-01  1.7758700000e-01  1.1682290000e+00  1.0202990000e+00 -5.1171700000e-01  1.5993140000e+00 -6.1344900000e-01 -3.4761100000e-01 -1.3933620000e+00 -1.4659210000e+00  7.5690000000e-02 -1.4950430000e+00 -4.3804000000e-02  3.3982200000e-01 -1.0481490000e+00
+ENERGY -1.526579486943e+02
+FORCES -2.7840000000e-03 -7.2267000000e-03  3.6930000000e-04  4.1258000000e-03  3.5463000000e-03  1.6640000000e-04 -1.1200000000e-03  3.9665000000e-03 -1.6860000000e-04  1.7823000000e-03  5.0626000000e-03 -5.2840000000e-04  3.6785000000e-03 -1.8153000000e-03  2.2384000000e-03 -5.6825000000e-03 -3.5333000000e-03 -2.0771000000e-03
+
+JOB 46
+COORDS  1.0419220000e+00  1.1685990000e+00  5.8703000000e-02  1.0855600000e+00  1.7531390000e+00  8.1543400000e-01  5.4764200000e-01  4.1011400000e-01  3.6953900000e-01 -9.9699900000e-01 -1.0962680000e+00 -1.4194800000e-01 -6.6309500000e-01 -1.5985990000e+00  6.0129100000e-01 -1.6153880000e+00 -1.6867280000e+00 -5.7227900000e-01
+ENERGY -1.526560434748e+02
+FORCES -4.9946000000e-03 -2.4051000000e-03  1.7416000000e-03 -4.5340000000e-04 -2.7007000000e-03 -2.6289000000e-03  5.9088000000e-03  3.0304000000e-03  3.3703000000e-03 -3.1228000000e-03 -4.9712000000e-03 -1.9974000000e-03  1.3700000000e-04  5.1910000000e-03 -3.1321000000e-03  2.5249000000e-03  1.8557000000e-03  2.6466000000e-03
+
+JOB 47
+COORDS -3.5012900000e-01  1.4751500000e+00  5.6943000000e-01 -7.7664400000e-01  6.5161200000e-01  8.0629000000e-01  5.4685200000e-01  1.2256170000e+00  3.4719000000e-01  2.9730600000e-01 -1.3818960000e+00 -5.1580000000e-01  7.6602600000e-01 -2.2158520000e+00 -5.4821900000e-01  2.5993900000e-01 -1.0920110000e+00 -1.4272830000e+00
+ENERGY -1.526588198114e+02
+FORCES  2.8916000000e-03 -8.5600000000e-03 -7.1100000000e-05 -6.8880000000e-04  5.4293000000e-03  4.4530000000e-04 -2.3621000000e-03  3.8673000000e-03  1.3120000000e-04  1.0681000000e-03 -3.1564000000e-03 -4.6916000000e-03 -1.9206000000e-03  3.9735000000e-03 -2.2660000000e-04  1.0119000000e-03 -1.5537000000e-03  4.4128000000e-03
+
+JOB 48
+COORDS  9.0322000000e-01 -1.1492210000e+00 -6.6613000000e-01  6.2789700000e-01 -4.3997900000e-01 -8.5265000000e-02  2.8942500000e-01 -1.8607240000e+00 -4.8378100000e-01 -7.9321300000e-01  1.1354260000e+00  5.7481900000e-01 -1.7109020000e+00  8.8412600000e-01  4.7029100000e-01 -7.7046000000e-01  1.6242720000e+00  1.3974630000e+00
+ENERGY -1.526598573348e+02
+FORCES -5.4092000000e-03  3.9536000000e-03  4.4199000000e-03  5.0067000000e-03 -7.0486000000e-03 -3.1676000000e-03  1.7066000000e-03  2.1122000000e-03 -8.6930000000e-04 -5.1499000000e-03  2.6181000000e-03  2.1606000000e-03  4.3107000000e-03  9.4910000000e-04  1.3075000000e-03 -4.6480000000e-04 -2.5844000000e-03 -3.8511000000e-03
+
+JOB 49
+COORDS  1.6960100000e-01 -1.5008810000e+00 -4.3924400000e-01 -3.4631500000e-01 -7.0568200000e-01 -3.0612500000e-01 -4.7050800000e-01 -2.1602040000e+00 -7.0717100000e-01 -1.4800100000e-01  1.4588630000e+00  4.9071100000e-01  7.9889900000e-01  1.5622580000e+00  5.8517200000e-01 -3.6001500000e-01  1.9201440000e+00 -3.2077000000e-01
+ENERGY -1.526596949733e+02
+FORCES -4.2782000000e-03  3.5401000000e-03  1.8869000000e-03  1.3278000000e-03 -8.0456000000e-03 -4.5957000000e-03  1.8214000000e-03  3.2049000000e-03  9.4280000000e-04  5.5000000000e-03  4.6440000000e-03 -8.6890000000e-04 -4.8881000000e-03  4.6110000000e-04 -6.8170000000e-04  5.1710000000e-04 -3.8044000000e-03  3.3167000000e-03
+
+JOB 50
+COORDS  5.4739600000e-01  1.3709250000e+00  2.3138000000e-01  1.3587790000e+00  1.8551720000e+00  3.8433000000e-01 -7.5493000000e-02  2.0341380000e+00 -6.5926000000e-02 -5.2795500000e-01 -1.4606530000e+00 -2.8028000000e-01 -2.9143000000e-01 -7.0337800000e-01  2.5527800000e-01 -1.2631010000e+00 -1.8620560000e+00  1.8304300000e-01
+ENERGY -1.526596936742e+02
+FORCES  2.0139000000e-03  5.0286000000e-03 -1.9328000000e-03 -3.9260000000e-03 -1.0650000000e-03 -9.3530000000e-04  2.9772000000e-03 -2.5642000000e-03  2.0142000000e-03  8.4430000000e-04  4.4751000000e-03  3.7804000000e-03 -4.4300000000e-03 -8.0619000000e-03 -1.4049000000e-03  2.5205000000e-03  2.1874000000e-03 -1.5217000000e-03
+
+JOB 51
+COORDS  4.6322200000e-01 -1.5533910000e+00  2.1738400000e-01  1.3757160000e+00 -1.4100780000e+00  4.6847500000e-01  8.4033000000e-02 -6.7532300000e-01  1.7936400000e-01 -4.3435000000e-01  1.4833880000e+00 -2.5636600000e-01 -5.9033600000e-01  2.0277560000e+00  5.1536100000e-01 -1.3016080000e+00  1.1614530000e+00 -5.0223700000e-01
+ENERGY -1.526596719512e+02
+FORCES  2.4327000000e-03  8.1274000000e-03 -3.2460000000e-04 -2.8720000000e-03 -1.2109000000e-03 -3.6330000000e-04 -7.4390000000e-04 -8.8338000000e-03  1.1089000000e-03 -5.0425000000e-03  5.1863000000e-03  7.1800000000e-04  7.5120000000e-04 -3.0705000000e-03 -3.7031000000e-03  5.4744000000e-03 -1.9850000000e-04  2.5641000000e-03
+
+JOB 52
+COORDS  2.2886100000e-01 -1.4631610000e+00  1.0097890000e+00  6.6711400000e-01 -6.1298200000e-01  1.0466910000e+00 -6.9475800000e-01 -1.2638950000e+00  1.1629290000e+00 -2.1201400000e-01  1.4298770000e+00 -1.0787070000e+00 -2.1575600000e-01  1.8450050000e+00 -2.1621900000e-01 -5.7820000000e-03  5.1194800000e-01 -9.0234100000e-01
+ENERGY -1.526542100113e+02
+FORCES -2.0105000000e-03  2.4616000000e-03  3.6883000000e-03 -3.1491000000e-03 -2.9074000000e-03 -2.7057000000e-03  4.8307000000e-03 -3.0780000000e-04 -1.4499000000e-03  6.0800000000e-04 -2.3768000000e-03  2.7230000000e-03  3.2850000000e-04 -2.8987000000e-03 -3.0007000000e-03 -6.0760000000e-04  6.0290000000e-03  7.4500000000e-04
+
+JOB 53
+COORDS  1.3347720000e+00  2.1257600000e-01  1.0028640000e+00  1.2393940000e+00  5.7999100000e-01  1.8815800000e+00  2.2509000000e+00 -6.0669000000e-02  9.5513200000e-01 -1.3683210000e+00 -2.7812600000e-01 -1.0357310000e+00 -8.4306200000e-01  5.0884500000e-01 -8.9077700000e-01 -2.1744280000e+00  4.2512000000e-02 -1.4402250000e+00
+ENERGY -1.526556596954e+02
+FORCES  3.8811000000e-03 -1.1563000000e-03  4.1393000000e-03  5.1440000000e-04 -1.1482000000e-03 -3.8979000000e-03 -3.7521000000e-03  1.4238000000e-03  5.0990000000e-04  9.3800000000e-04  4.5527000000e-03  5.2200000000e-05 -4.8250000000e-03 -2.4186000000e-03 -2.6936000000e-03  3.2435000000e-03 -1.2535000000e-03  1.8902000000e-03
+
+JOB 54
+COORDS  1.2493910000e+00 -1.2389140000e+00 -4.7469900000e-01  8.4896700000e-01 -2.0663400000e+00 -2.0775300000e-01  5.2140400000e-01 -7.1869800000e-01 -8.1476100000e-01 -1.1504950000e+00  1.2702450000e+00  4.2346200000e-01 -7.3185700000e-01  1.0046110000e+00  1.2422490000e+00 -2.0858420000e+00  1.2859250000e+00  6.2622600000e-01
+ENERGY -1.526575180119e+02
+FORCES -5.3608000000e-03 -1.1390000000e-04 -1.3354000000e-03  1.5810000000e-03  3.1907000000e-03 -5.7980000000e-04  4.7484000000e-03 -4.3890000000e-03  1.0337000000e-03 -2.2446000000e-03  7.3580000000e-04  5.4758000000e-03 -2.8068000000e-03  9.6910000000e-04 -3.8360000000e-03  4.0829000000e-03 -3.9280000000e-04 -7.5830000000e-04
+
+JOB 55
+COORDS -1.4476800000e-01 -9.5661600000e-01 -1.5410600000e+00  1.7596200000e-01 -1.7400100000e-01 -1.0928650000e+00 -7.3580100000e-01 -6.2172400000e-01 -2.2154200000e+00  1.3653600000e-01  9.4434000000e-01  1.5295170000e+00  1.0079150000e+00  7.7167300000e-01  1.8860520000e+00 -3.2668200000e-01  1.1093000000e-01  1.6137140000e+00
+ENERGY -1.526580892572e+02
+FORCES -8.0260000000e-04  5.6797000000e-03 -9.8090000000e-04 -1.3636000000e-03 -5.3952000000e-03 -3.3850000000e-03  2.2595000000e-03 -1.4196000000e-03  2.5762000000e-03  1.0541000000e-03 -4.0097000000e-03  4.6799000000e-03 -3.7367000000e-03  7.1540000000e-04 -2.0756000000e-03  2.5893000000e-03  4.4294000000e-03 -8.1460000000e-04
+
+JOB 56
+COORDS  1.0268200000e+00  1.6498000000e-02  1.4821990000e+00  3.7792200000e-01 -3.5746100000e-01  2.0782840000e+00  1.4314790000e+00 -7.4208100000e-01  1.0614360000e+00 -9.5240600000e-01  2.9220000000e-02 -1.5095830000e+00 -1.7163490000e+00  5.3422000000e-02 -2.0858100000e+00 -1.2788000000e+00  3.4007600000e-01 -6.6514900000e-01
+ENERGY -1.526553626574e+02
+FORCES  6.9210000000e-04 -5.3793000000e-03 -3.4000000000e-06  1.8073000000e-03  2.0764000000e-03 -2.9736000000e-03 -1.3741000000e-03  3.0606000000e-03  2.9919000000e-03 -3.6229000000e-03  2.5114000000e-03  1.8074000000e-03  3.1580000000e-03 -1.6470000000e-04  2.5581000000e-03 -6.6040000000e-04 -2.1043000000e-03 -4.3804000000e-03
+
+JOB 57
+COORDS -3.3756800000e-01  1.0650120000e+00 -1.6255890000e+00 -1.1099760000e+00  5.0776800000e-01 -1.7209580000e+00 -1.5952400000e-01  1.0694990000e+00 -6.8510400000e-01  4.2617400000e-01 -1.0151200000e+00  1.5367480000e+00 -3.5901500000e-01 -1.4884570000e+00  1.2616790000e+00  2.8767600000e-01 -8.4109400000e-01  2.4677500000e+00
+ENERGY -1.526556667559e+02
+FORCES -1.1049000000e-03 -2.7178000000e-03  4.4484000000e-03  2.6703000000e-03  1.9533000000e-03  3.5470000000e-04 -2.1780000000e-03  1.4433000000e-03 -5.3107000000e-03 -2.7870000000e-03 -3.1812000000e-03  4.1019000000e-03  2.9803000000e-03  3.0828000000e-03  7.1280000000e-04  4.1930000000e-04 -5.8030000000e-04 -4.3071000000e-03
+
+JOB 58
+COORDS  2.1111000000e-02  1.8864670000e+00  1.3662600000e-01 -7.9983100000e-01  2.0484120000e+00  6.0144700000e-01  5.3078900000e-01  2.6866460000e+00  2.6380400000e-01 -1.2774000000e-02 -1.9993490000e+00 -1.8651200000e-01 -5.6977400000e-01 -1.2538330000e+00 -4.1054300000e-01  6.7567600000e-01 -1.6274400000e+00  3.6480700000e-01
+ENERGY -1.526565637899e+02
+FORCES -7.1890000000e-04  5.6136000000e-03  2.1899000000e-03  3.4968000000e-03 -1.3408000000e-03 -2.1388000000e-03 -2.3688000000e-03 -3.2722000000e-03 -2.7840000000e-04  1.2306000000e-03  6.3987000000e-03  8.7210000000e-04  7.6450000000e-04 -4.4671000000e-03  9.6570000000e-04 -2.4042000000e-03 -2.9321000000e-03 -1.6105000000e-03
+
+JOB 59
+COORDS -4.8460000000e-03 -2.0372900000e-01 -1.9278260000e+00  2.7774000000e-02 -1.0981560000e+00 -2.2671900000e+00 -9.3908600000e-01 -6.5010000000e-03 -1.8605410000e+00  1.9365000000e-02  1.8876900000e-01  1.9637120000e+00  8.4681700000e-01  1.7624700000e-01  1.4826740000e+00 -1.6142900000e-01  1.1178960000e+00  2.1060800000e+00
+ENERGY -1.526555440153e+02
+FORCES -4.5430000000e-03 -3.2446000000e-03 -6.1380000000e-04  4.4800000000e-05  3.6721000000e-03  1.2171000000e-03  3.8611000000e-03 -5.1620000000e-04 -1.1155000000e-03  3.2077000000e-03  3.5668000000e-03 -2.7732000000e-03 -2.9501000000e-03  1.2660000000e-04  3.6680000000e-03  3.7950000000e-04 -3.6047000000e-03 -3.8260000000e-04
+
+JOB 60
+COORDS -1.2838100000e+00  3.5168500000e-01 -1.5153920000e+00 -1.7419430000e+00  7.0666400000e-01 -7.5359500000e-01 -7.5555200000e-01 -3.6555000000e-01 -1.1650360000e+00  1.2996140000e+00 -2.7101500000e-01  1.4769300000e+00  1.5440000000e+00 -1.1463010000e+00  1.7775670000e+00  7.3220300000e-01 -4.2634300000e-01  7.2184700000e-01
+ENERGY -1.526521790298e+02
+FORCES -1.0265000000e-03 -8.3880000000e-04  3.7144000000e-03  2.4779000000e-03 -2.1212000000e-03 -3.5128000000e-03 -7.0800000000e-04  3.2971000000e-03  4.5470000000e-04 -2.0880000000e-04 -4.1464000000e-03 -1.4912000000e-03 -1.2912000000e-03  3.9215000000e-03 -1.5089000000e-03  7.5650000000e-04 -1.1220000000e-04  2.3439000000e-03
+
+JOB 61
+COORDS -5.1917600000e-01 -9.5858400000e-01  1.6560510000e+00 -1.2950200000e+00 -3.9943600000e-01  1.6154080000e+00  1.8058000000e-02 -5.7364900000e-01  2.3484640000e+00  5.7278600000e-01  9.2517400000e-01 -1.7365110000e+00 -1.3487600000e-01  1.4130450000e+00 -1.3152890000e+00  5.0100800000e-01  4.0592000000e-02 -1.3779090000e+00
+ENERGY -1.526558041615e+02
+FORCES -9.9700000000e-04  3.2209000000e-03  4.6306000000e-03  3.6380000000e-03 -1.9773000000e-03 -7.7860000000e-04 -2.5797000000e-03 -1.6031000000e-03 -3.0452000000e-03 -3.0697000000e-03 -2.7197000000e-03  3.9735000000e-03  2.4801000000e-03 -1.2952000000e-03 -1.6958000000e-03  5.2820000000e-04  4.3744000000e-03 -3.0845000000e-03
+
+JOB 62
+COORDS  4.9874200000e-01  1.6887580000e+00 -9.6489100000e-01  1.3977030000e+00  1.9388500000e+00 -7.5145600000e-01  5.6828300000e-01  7.8649200000e-01 -1.2768410000e+00 -5.2972600000e-01 -1.6155360000e+00  1.0205040000e+00 -1.0027620000e+00 -2.4462220000e+00  1.0698000000e+00 -3.6934800000e-01 -1.4857950000e+00  8.5797000000e-02
+ENERGY -1.526525981998e+02
+FORCES  4.4493000000e-03 -2.1692000000e-03  4.9410000000e-04 -3.7858000000e-03 -8.6820000000e-04 -1.3105000000e-03 -1.0282000000e-03  2.5018000000e-03  1.2884000000e-03 -2.1494000000e-03 -2.7336000000e-03 -3.3626000000e-03  2.0824000000e-03  3.5750000000e-03 -1.1910000000e-04  4.3170000000e-04 -3.0580000000e-04  3.0096000000e-03
+
+JOB 63
+COORDS -1.0426080000e+00  8.4309000000e-01  1.4571900000e+00 -1.7100420000e+00  1.2896120000e+00  1.9781330000e+00 -1.3425700000e+00 -6.4669000000e-02  1.4099940000e+00  1.1498170000e+00 -8.6632400000e-01 -1.4756420000e+00  6.5593700000e-01 -6.9766700000e-01 -2.2780570000e+00  8.2475100000e-01 -2.1634600000e-01 -8.5267100000e-01
+ENERGY -1.526565398560e+02
+FORCES -4.6534000000e-03 -1.2832000000e-03  3.4424000000e-03  2.5720000000e-03 -2.1416000000e-03 -2.0745000000e-03  1.5555000000e-03  4.2590000000e-03 -4.8130000000e-04 -2.9808000000e-03  4.4765000000e-03 -3.7000000000e-04  1.8725000000e-03 -9.8640000000e-04  3.0396000000e-03  1.6342000000e-03 -4.3242000000e-03 -3.5562000000e-03
+
+JOB 64
+COORDS -1.1228260000e+00  8.0143300000e-01 -1.4647560000e+00 -2.0159610000e+00  9.4047400000e-01 -1.1497800000e+00 -6.8709700000e-01  1.6429900000e+00 -1.3300220000e+00  1.1801530000e+00 -8.7823200000e-01  1.4987250000e+00  1.4974510000e+00 -2.6469700000e-01  8.3605700000e-01  3.4675300000e-01 -1.1964440000e+00  1.1517130000e+00
+ENERGY -1.526559520116e+02
+FORCES -2.9695000000e-03  4.9285000000e-03  8.0580000000e-04  3.9499000000e-03 -7.7230000000e-04 -1.2133000000e-03 -1.3726000000e-03 -3.9908000000e-03 -2.3560000000e-04 -2.7395000000e-03  1.0550000000e-03 -5.4745000000e-03 -3.0470000000e-04 -1.8530000000e-03  3.3609000000e-03  3.4365000000e-03  6.3260000000e-04  2.7568000000e-03
+
+JOB 65
+COORDS  3.4820200000e-01 -1.8439980000e+00  8.6674700000e-01 -4.9584600000e-01 -2.2254300000e+00  1.1082530000e+00  4.9832400000e-01 -1.1604650000e+00  1.5197990000e+00 -2.7998400000e-01  1.8869680000e+00 -9.3026600000e-01 -9.7307000000e-02  1.0454210000e+00 -1.3481900000e+00 -9.6657700000e-01  1.6938650000e+00 -2.9188300000e-01
+ENERGY -1.526553583410e+02
+FORCES -1.8928000000e-03  2.2170000000e-04  4.7350000000e-03  3.3697000000e-03  2.1051000000e-03 -1.3117000000e-03 -1.2900000000e-03 -2.8800000000e-03 -3.0924000000e-03 -1.8174000000e-03 -5.1096000000e-03  3.7810000000e-04 -1.0445000000e-03  4.5353000000e-03  1.2819000000e-03  2.6750000000e-03  1.1275000000e-03 -1.9909000000e-03
+
+JOB 66
+COORDS  1.5180330000e+00 -1.3935850000e+00  2.3411500000e-01  1.2671320000e+00 -1.4011870000e+00  1.1578150000e+00  2.2735010000e+00 -1.9793900000e+00  1.8580800000e-01 -1.5483620000e+00  1.4722930000e+00 -3.2686300000e-01 -1.3959820000e+00  1.5782550000e+00  6.1217100000e-01 -1.6574080000e+00  5.2898800000e-01 -4.4735300000e-01
+ENERGY -1.526541589738e+02
+FORCES  3.1411000000e-03 -2.5191000000e-03  3.2972000000e-03  3.2250000000e-04  2.3920000000e-04 -3.8850000000e-03 -3.2040000000e-03  2.4290000000e-03  3.3140000000e-04  1.3844000000e-03 -4.0775000000e-03  2.7463000000e-03 -9.1380000000e-04 -3.1510000000e-04 -3.3725000000e-03 -7.3020000000e-04  4.2434000000e-03  8.8260000000e-04
+
+JOB 67
+COORDS  6.1886200000e-01 -1.5748460000e+00 -1.2473500000e+00  1.4014610000e+00 -2.0088950000e+00 -9.0768500000e-01  4.6984000000e-02 -2.2916220000e+00 -1.5219760000e+00 -5.9243800000e-01  1.6746050000e+00  1.2882950000e+00 -8.8438700000e-01  7.6724000000e-01  1.3759660000e+00 -9.4994200000e-01  1.9616140000e+00  4.4802800000e-01
+ENERGY -1.526551102715e+02
+FORCES  1.9382000000e-03 -4.9161000000e-03 -1.3180000000e-04 -3.5037000000e-03  1.5378000000e-03 -1.4934000000e-03  2.0906000000e-03  3.2257000000e-03  1.4064000000e-03 -1.8758000000e-03 -3.4851000000e-03 -4.2715000000e-03  4.7340000000e-04  4.0296000000e-03  7.8220000000e-04  8.7730000000e-04 -3.9190000000e-04  3.7081000000e-03
+
+JOB 68
+COORDS  9.5819500000e-01  1.1291720000e+00  1.6242330000e+00  7.9980500000e-01  1.6714520000e+00  2.3969400000e+00  1.8891620000e+00  1.2467440000e+00  1.4352650000e+00 -1.0138530000e+00 -1.0971850000e+00 -1.6556200000e+00 -4.4580800000e-01 -1.5730370000e+00 -2.2615260000e+00 -1.3576630000e+00 -1.7712740000e+00 -1.0694200000e+00
+ENERGY -1.526532170859e+02
+FORCES  3.0644000000e-03  2.9210000000e-03  1.7857000000e-03  5.7820000000e-04 -2.3553000000e-03 -3.1139000000e-03 -3.6788000000e-03 -5.6330000000e-04  9.8900000000e-04  1.2148000000e-03 -4.3702000000e-03  9.0810000000e-04 -2.2498000000e-03  1.9700000000e-03  2.2737000000e-03  1.0713000000e-03  2.3979000000e-03 -2.8427000000e-03
+
+JOB 69
+COORDS -1.0191250000e+00 -2.1181900000e+00  3.9042900000e-01 -1.3678480000e+00 -2.3626460000e+00  1.2476720000e+00 -1.9750300000e-01 -1.6673950000e+00  5.8524300000e-01  9.9093800000e-01  2.0527810000e+00 -4.0115800000e-01  3.7132800000e-01  2.2642430000e+00 -1.0994410000e+00  1.6623380000e+00  2.7322900000e+00 -4.6216600000e-01
+ENERGY -1.526553145581e+02
+FORCES  2.3540000000e-03  1.5477000000e-03  4.2498000000e-03  1.2835000000e-03  8.0860000000e-04 -3.3893000000e-03 -3.6762000000e-03 -2.8636000000e-03 -6.1760000000e-04 -2.6000000000e-05  3.8909000000e-03 -3.4332000000e-03  2.8186000000e-03 -6.2100000000e-04  2.9241000000e-03 -2.7539000000e-03 -2.7626000000e-03  2.6620000000e-04
+
+JOB 70
+COORDS  1.6307000000e-02 -1.7373600000e-01  2.3794130000e+00 -2.7873000000e-02  2.8175600000e-01  3.2201310000e+00  6.6980700000e-01 -8.6035900000e-01  2.5125220000e+00 -2.1754000000e-02  2.1121000000e-01 -2.4871870000e+00  3.4677300000e-01  1.1566000000e-01 -1.6089560000e+00 -9.1517200000e-01 -1.2363800000e-01 -2.4102850000e+00
+ENERGY -1.526554126492e+02
+FORCES  2.3275000000e-03 -6.7880000000e-04  4.8413000000e-03  2.5320000000e-04 -2.0589000000e-03 -3.3949000000e-03 -2.7071000000e-03  2.8948000000e-03 -9.3750000000e-04 -2.3767000000e-03 -1.4524000000e-03  4.7243000000e-03 -9.9110000000e-04  9.2000000000e-05 -4.4347000000e-03  3.4941000000e-03  1.2033000000e-03 -7.9850000000e-04
+
+JOB 71
+COORDS -8.2573800000e-01  1.3259880000e+00 -1.9651870000e+00 -1.1514900000e-01  1.6303290000e+00 -1.4006770000e+00 -1.6190570000e+00  1.6831930000e+00 -1.5660880000e+00  8.2644800000e-01 -1.3133250000e+00  1.9657640000e+00  1.3284650000e+00 -2.1271740000e+00  1.9226150000e+00  3.5603500000e-01 -1.2770810000e+00  1.1329200000e+00
+ENERGY -1.526550443896e+02
+FORCES -4.2450000000e-04  3.6280000000e-03  3.5507000000e-03 -3.0647000000e-03 -1.8187000000e-03 -2.3340000000e-03  3.3040000000e-03 -1.7130000000e-03 -1.6207000000e-03  5.1900000000e-05 -3.6440000000e-03 -3.6670000000e-03 -2.0086000000e-03  3.3241000000e-03  2.4670000000e-04  2.1420000000e-03  2.2370000000e-04  3.8244000000e-03
+
+JOB 72
+COORDS  8.8626700000e-01  1.9574320000e+00  1.3208100000e+00  1.7973910000e+00  1.6747630000e+00  1.2421780000e+00  9.3312400000e-01  2.7907890000e+00  1.7893740000e+00 -9.1681400000e-01 -2.0575300000e+00 -1.3424050000e+00 -1.7461300000e+00 -1.6993670000e+00 -1.0258840000e+00 -4.3576800000e-01 -1.2969220000e+00 -1.6684460000e+00
+ENERGY -1.526547929250e+02
+FORCES  4.0743000000e-03  2.2339000000e-03  2.0553000000e-03 -3.7951000000e-03  1.2910000000e-03  9.2800000000e-05 -1.8200000000e-04 -3.4082000000e-03 -1.9597000000e-03 -1.3815000000e-03  5.1500000000e-03  5.3850000000e-04  3.0654000000e-03 -1.8021000000e-03 -1.5568000000e-03 -1.7811000000e-03 -3.4646000000e-03  8.2980000000e-04
+
+JOB 73
+COORDS -5.4925000000e-01 -6.1762600000e-01  2.4802030000e+00  2.7860000000e-01 -9.2708500000e-01  2.8478050000e+00 -7.9185700000e-01  1.2794000000e-01  3.0292990000e+00  5.2648600000e-01  5.4171800000e-01 -2.4947110000e+00  1.0697660000e+00  1.3257820000e+00 -2.5742220000e+00 -2.1025900000e-01  6.9935700000e-01 -3.0851250000e+00
+ENERGY -1.526534097373e+02
+FORCES  2.6850000000e-03  1.7899000000e-03  3.2279000000e-03 -3.4498000000e-03  1.2446000000e-03 -1.2221000000e-03  8.9450000000e-04 -3.0088000000e-03 -2.1629000000e-03 -1.1508000000e-03  3.7392000000e-03 -2.3707000000e-03 -2.0909000000e-03 -3.1806000000e-03  2.9540000000e-04  3.1120000000e-03 -5.8430000000e-04  2.2324000000e-03
+
+JOB 74
+COORDS  5.3345100000e-01 -1.9176930000e+00 -1.7475130000e+00 -3.2245600000e-01 -2.3460350000e+00 -1.7341470000e+00  1.0496360000e+00 -2.3925090000e+00 -1.0961030000e+00 -5.4197500000e-01  2.0199950000e+00  1.7464360000e+00  1.3355300000e-01  1.4377730000e+00  2.0941600000e+00 -6.9756800000e-01  1.7027240000e+00  8.5685100000e-01
+ENERGY -1.526547082432e+02
+FORCES -1.2220000000e-03 -4.4352000000e-03  2.0600000000e-03  3.5642000000e-03  2.0342000000e-03  1.5310000000e-04 -2.2364000000e-03  2.2947000000e-03 -2.4505000000e-03  2.3614000000e-03 -3.6204000000e-03 -2.7101000000e-03 -2.7692000000e-03  2.2688000000e-03 -1.0832000000e-03  3.0200000000e-04  1.4579000000e-03  4.0308000000e-03
+
+JOB 75
+COORDS  1.5688800000e-01 -2.7036110000e+00 -5.6254000000e-02  2.0090000000e-03 -2.5459260000e+00 -9.8758600000e-01 -6.3929600000e-01 -2.3936220000e+00  3.7528800000e-01 -7.0927000000e-02  2.6930800000e+00  1.3058100000e-01 -4.2858000000e-01  3.3052720000e+00 -5.1248800000e-01 -3.8163600000e-01  1.8345130000e+00 -1.5673900000e-01
+ENERGY -1.526535973594e+02
+FORCES -3.7271000000e-03  1.2237000000e-03 -1.8290000000e-03  5.2820000000e-04 -2.4270000000e-04  3.9216000000e-03  3.3173000000e-03 -8.7650000000e-04 -2.0673000000e-03 -2.3845000000e-03 -9.5370000000e-04 -3.7591000000e-03  1.4220000000e-03 -2.6137000000e-03  2.6374000000e-03  8.4420000000e-04  3.4630000000e-03  1.0965000000e-03
+
+JOB 76
+COORDS  5.5242200000e-01 -8.3673800000e-01  2.7847670000e+00  5.0163000000e-02 -4.8344900000e-01  2.0504960000e+00  1.4316520000e+00 -4.7627900000e-01  2.6696330000e+00 -5.4302300000e-01  7.7251500000e-01 -2.6864400000e+00 -1.4651770000e+00  1.0290360000e+00 -2.6785720000e+00 -2.5507900000e-01  9.3964900000e-01 -3.5838730000e+00
+ENERGY -1.526547958531e+02
+FORCES  1.5819000000e-03  2.8970000000e-03 -4.0068000000e-03  1.8391000000e-03 -1.4339000000e-03  3.4800000000e-03 -3.4372000000e-03 -1.4605000000e-03  7.5380000000e-04 -2.5920000000e-03  1.6635000000e-03 -4.0665000000e-03  3.8324000000e-03 -1.0381000000e-03  1.5210000000e-04 -1.2241000000e-03 -6.2810000000e-04  3.6874000000e-03
+
+JOB 77
+COORDS -1.6750730000e+00 -1.6701300000e-01 -2.4184200000e+00 -1.7836640000e+00  3.7369100000e-01 -1.6360650000e+00 -2.1403560000e+00 -9.7859000000e-01 -2.2157230000e+00  1.6632280000e+00  1.9902900000e-01  2.3190330000e+00  1.9791300000e+00  7.1891400000e-01  3.0580580000e+00  2.1617770000e+00 -6.1656900000e-01  2.3688400000e+00
+ENERGY -1.526544339329e+02
+FORCES -1.9484000000e-03 -9.7120000000e-04  4.4597000000e-03  2.3600000000e-05 -2.1760000000e-03 -3.5176000000e-03  1.7774000000e-03  3.1743000000e-03 -9.7520000000e-04  3.6319000000e-03 -1.2089000000e-03  3.0977000000e-03 -1.3612000000e-03 -2.1346000000e-03 -2.9956000000e-03 -2.1233000000e-03  3.3164000000e-03 -6.8900000000e-05
+
+JOB 78
+COORDS  6.9120400000e-01  2.9333460000e+00  4.6918900000e-01  1.4347990000e+00  2.3438610000e+00  3.4347100000e-01  1.8614300000e-01  2.5347860000e+00  1.1779160000e+00 -7.4887200000e-01 -2.8440270000e+00 -4.6638400000e-01  1.8043000000e-01 -2.6369470000e+00 -5.6511300000e-01 -8.7770700000e-01 -3.6289990000e+00 -9.9878700000e-01
+ENERGY -1.526540716854e+02
+FORCES  6.2960000000e-04 -4.1391000000e-03  2.4026000000e-03 -2.8609000000e-03  2.3408000000e-03  4.3830000000e-04  2.2729000000e-03  1.7749000000e-03 -2.8329000000e-03  3.0680000000e-03 -2.5355000000e-03 -2.8601000000e-03 -3.6956000000e-03 -6.4760000000e-04  6.2520000000e-04  5.8600000000e-04  3.2065000000e-03  2.2269000000e-03
+
+JOB 79
+COORDS -3.9798500000e-01  1.2813600000e-01 -3.3770540000e+00 -8.9414000000e-02 -1.7236500000e-01 -4.2318730000e+00 -1.3461730000e+00  2.0999600000e-01 -3.4793760000e+00  3.9177800000e-01 -1.2660300000e-01  3.4895630000e+00  8.8710900000e-01  6.6867100000e-01  3.2935540000e+00  6.1105700000e-01 -7.2753100000e-01  2.7774990000e+00
+ENERGY -1.526544731880e+02
+FORCES -2.7274000000e-03 -8.4640000000e-04 -4.0179000000e-03 -1.2334000000e-03  1.2136000000e-03  3.5179000000e-03  3.9194000000e-03 -3.5270000000e-04  4.0960000000e-04  2.8832000000e-03  8.3840000000e-04 -4.0178000000e-03 -1.9758000000e-03 -3.1894000000e-03  9.8530000000e-04 -8.6590000000e-04  2.3365000000e-03  3.1229000000e-03
+
+JOB 80
+COORDS -9.4565500000e-01  3.5008880000e+00  6.5234300000e-01 -1.4298120000e+00  4.0529090000e+00  3.8261000000e-02 -2.7185000000e-02  3.7268160000e+00  5.0537600000e-01  8.9571700000e-01 -3.5221500000e+00 -6.6590100000e-01  4.4706800000e-01 -3.6961840000e+00  1.6154000000e-01  1.8077610000e+00 -3.7599720000e+00 -4.9902100000e-01
+ENERGY -1.526540596720e+02
+FORCES  1.7884000000e-03  3.0174000000e-03 -3.2832000000e-03  1.9577000000e-03 -2.1782000000e-03  2.5576000000e-03 -3.7292000000e-03 -8.3480000000e-04  6.9210000000e-04  1.7526000000e-03 -1.5335000000e-03  4.1674000000e-03  1.8973000000e-03  5.6970000000e-04 -3.4079000000e-03 -3.6668000000e-03  9.5940000000e-04 -7.2590000000e-04
+
+JOB 81
+COORDS  2.5543800000e-01 -3.1764840000e+00 -2.2054290000e+00  1.1425090000e+00 -2.9699340000e+00 -1.9110240000e+00 -2.8633000000e-01 -2.4738280000e+00 -1.8462710000e+00 -2.7429800000e-01  3.1852920000e+00  2.2035220000e+00 -7.5490000000e-02  3.0393680000e+00  1.2786360000e+00 -4.4596100000e-01  2.3108450000e+00  2.5529600000e+00
+ENERGY -1.526537418436e+02
+FORCES  1.4427000000e-03  3.5406000000e-03  2.5349000000e-03 -3.7122000000e-03 -7.3860000000e-04 -1.1384000000e-03  2.2593000000e-03 -2.7505000000e-03 -1.3588000000e-03  5.6300000000e-05 -3.9874000000e-03 -2.2229000000e-03 -7.9750000000e-04  4.2740000000e-04  3.7591000000e-03  7.5140000000e-04  3.5084000000e-03 -1.5739000000e-03
+
+JOB 82
+COORDS  4.6674000000e-02  3.3972140000e+00  1.9689410000e+00  8.5558500000e-01  3.8640820000e+00  2.1785320000e+00 -5.9387600000e-01  3.7336870000e+00  2.5956110000e+00 -5.1891000000e-02 -3.3809570000e+00 -1.9968700000e+00  1.3277500000e-01 -4.1689130000e+00 -1.4857380000e+00 -2.8544000000e-01 -3.7077590000e+00 -2.8657120000e+00
+ENERGY -1.526537607967e+02
+FORCES  6.9740000000e-04  3.1630000000e-03  3.3363000000e-03 -3.3058000000e-03 -1.8674000000e-03 -8.2920000000e-04  2.6109000000e-03 -1.3460000000e-03 -2.5393000000e-03 -2.1500000000e-04 -4.4328000000e-03 -1.3892000000e-03 -7.4660000000e-04  3.1732000000e-03 -2.1101000000e-03  9.5910000000e-04  1.3099000000e-03  3.5314000000e-03
+
+JOB 83
+COORDS -4.0230000000e-03  3.8653070000e+00  8.4081100000e-01  1.6222500000e-01  4.7354050000e+00  1.2034720000e+00 -7.5252600000e-01  3.9877030000e+00  2.5686300000e-01  8.3175000000e-02 -3.9181500000e+00 -7.7233200000e-01  2.7282000000e-01 -4.1737810000e+00 -1.6750610000e+00 -8.5520400000e-01 -3.7293060000e+00 -7.6847400000e-01
+ENERGY -1.526538768659e+02
+FORCES -2.3133000000e-03  4.0089000000e-03 -8.6940000000e-04 -6.9450000000e-04 -3.5449000000e-03 -1.4931000000e-03  3.0208000000e-03 -5.0520000000e-04  2.3626000000e-03 -3.0091000000e-03 -9.6100000000e-05 -3.6078000000e-03 -7.8930000000e-04  9.9270000000e-04  3.6650000000e-03  3.7853000000e-03 -8.5550000000e-04 -5.7400000000e-05
+
+JOB 84
+COORDS -4.9420700000e-01  4.1321170000e+00 -1.3298650000e+00 -1.3692830000e+00  3.7579470000e+00 -1.2275390000e+00 -2.5849000000e-01  4.4346200000e+00 -4.5284600000e-01  5.0349000000e-01 -4.0729860000e+00  1.3074260000e+00  1.3997770000e+00 -4.2343410000e+00  1.0126930000e+00  2.3821000000e-02 -4.8638620000e+00  1.0611250000e+00
+ENERGY -1.526541683385e+02
+FORCES -2.5941000000e-03 -4.5530000000e-04  4.0749000000e-03  3.5302000000e-03  1.6143000000e-03 -4.6990000000e-04 -9.5280000000e-04 -1.1432000000e-03 -3.5974000000e-03  1.7538000000e-03 -3.8741000000e-03 -2.2708000000e-03 -3.6672000000e-03  6.3100000000e-04  1.2391000000e-03  1.9301000000e-03  3.2274000000e-03  1.0241000000e-03
+
+JOB 85
+COORDS  5.4635700000e-01 -3.8804140000e+00 -1.9905820000e+00  5.3528900000e-01 -4.7884420000e+00 -2.2932300000e+00  1.0453890000e+00 -3.9056330000e+00 -1.1741490000e+00 -5.5918200000e-01  3.8834610000e+00  1.9185890000e+00 -7.1572200000e-01  4.7842790000e+00  1.6352980000e+00 -7.0443800000e-01  3.9006970000e+00  2.8645460000e+00
+ENERGY -1.526539529638e+02
+FORCES  1.9918000000e-03 -3.6684000000e-03  2.1744000000e-03  3.6400000000e-05  3.6852000000e-03  1.2121000000e-03 -2.0201000000e-03 -5.4000000000e-06 -3.3611000000e-03 -1.2788000000e-03  3.7306000000e-03  2.6178000000e-03  6.5280000000e-04 -3.6600000000e-03  1.1926000000e-03  6.1800000000e-04 -8.1900000000e-05 -3.8358000000e-03
+
+JOB 86
+COORDS  6.1791000000e-01  4.3507290000e+00  1.5987590000e+00  2.9172700000e-01  5.0111400000e+00  2.2100650000e+00  1.3012370000e+00  3.8898620000e+00  2.0854810000e+00 -6.8288000000e-01 -4.3122780000e+00 -1.6336950000e+00 -7.0976000000e-02 -4.8519230000e+00 -1.1331060000e+00 -5.6035700000e-01 -4.5898160000e+00 -2.5415450000e+00
+ENERGY -1.526539618652e+02
+FORCES  1.3962000000e-03  7.0910000000e-04  4.4668000000e-03  1.3484000000e-03 -2.6642000000e-03 -2.4943000000e-03 -2.7457000000e-03  1.9328000000e-03 -1.9701000000e-03  2.9948000000e-03 -3.2539000000e-03 -1.6974000000e-03 -2.4939000000e-03  2.1836000000e-03 -2.0200000000e-03 -4.9990000000e-04  1.0927000000e-03  3.7150000000e-03
+
+JOB 87
+COORDS -1.9815220000e+00  4.5756750000e+00  1.0450560000e+00 -2.0339790000e+00  3.7106400000e+00  6.3861400000e-01 -1.0545460000e+00  4.6854640000e+00  1.2569380000e+00  1.9634830000e+00 -4.4782110000e+00 -1.0079870000e+00  1.7279390000e+00 -4.6292460000e+00 -1.9233770000e+00  1.5824720000e+00 -5.2191520000e+00 -5.3674600000e-01
+ENERGY -1.526541993080e+02
+FORCES  3.6225000000e-03 -3.1326000000e-03 -7.8440000000e-04  1.6030000000e-04  3.5526000000e-03  1.6428000000e-03 -3.7952000000e-03 -4.0260000000e-04 -8.5870000000e-04 -2.4646000000e-03 -3.7343000000e-03 -1.8212000000e-03  9.3970000000e-04  6.6170000000e-04  3.7433000000e-03  1.5373000000e-03  3.0551000000e-03 -1.9218000000e-03
+
+JOB 88
+COORDS -8.3361400000e-01  4.5701100000e-01  5.0504350000e+00 -6.9834600000e-01  1.2613310000e+00  5.5514380000e+00 -1.4828350000e+00 -3.3451000000e-02  5.5546070000e+00  9.0716100000e-01 -4.4801500000e-01 -5.0630990000e+00  8.2401900000e-01 -2.1104600000e-01 -5.9867690000e+00  2.4768800000e-01 -1.1288480000e+00 -4.9297080000e+00
+ENERGY -1.526539881553e+02
+FORCES -2.0560000000e-03  1.3103000000e-03  4.0684000000e-03 -5.7070000000e-04 -3.2925000000e-03 -2.0220000000e-03  2.6359000000e-03  1.9887000000e-03 -2.0584000000e-03 -3.0516000000e-03 -1.8166000000e-03 -3.1295000000e-03  3.4860000000e-04 -9.6030000000e-04  3.7500000000e-03  2.6939000000e-03  2.7704000000e-03 -6.0860000000e-04
+
+JOB 89
+COORDS -8.4388960000e+00 -9.5964500000e+00 -6.5304680000e+00 -8.0215600000e+00 -8.8011270000e+00 -6.8614120000e+00 -7.8650760000e+00 -1.0306312000e+01 -6.8186670000e+00  8.4163290000e+00  9.5358200000e+00  6.5403400000e+00  7.5516630000e+00  9.5736360000e+00  6.9491850000e+00  8.7229720000e+00  1.0442569000e+01  6.5431240000e+00
+ENERGY -1.526540776709e+02
+FORCES  4.0458000000e-03  3.4870000000e-04 -2.5242000000e-03 -1.7039000000e-03 -3.2440000000e-03  1.3492000000e-03 -2.3419000000e-03  2.8952000000e-03  1.1748000000e-03 -2.2764000000e-03  3.8533000000e-03  1.6817000000e-03  3.5272000000e-03 -1.5440000000e-04 -1.6690000000e-03 -1.2507000000e-03 -3.6989000000e-03 -1.2500000000e-05
+
+JOB 0
+COORDS  6.0092900000e-01 -1.0376130000e+00 -3.0652400000e-01  1.0243820000e+00 -1.6668810000e+00  2.7737800000e-01  6.0024200000e-01 -1.4668870000e+00 -1.1620670000e+00 -6.7205700000e-01  1.1206070000e+00  3.7311400000e-01 -2.7524200000e-01  1.6542970000e+00 -3.1532300000e-01 -2.9782800000e-01  2.4872500000e-01  2.4659800000e-01
+ENERGY -1.526575786865e+02
+FORCES -6.5061000000e-03  8.6269000000e-03  1.9341000000e-03 -2.4212000000e-03  2.6459000000e-03 -4.1707000000e-03  1.7411000000e-03  1.2297000000e-03  4.8788000000e-03  1.1436200000e-02 -1.5296100000e-02 -7.1204000000e-03 -1.3772000000e-03 -1.1005000000e-03  9.5120000000e-04 -2.8728000000e-03  3.8941000000e-03  3.5269000000e-03
+
+JOB 1
+COORDS  1.0648830000e+00  5.9843000000e-01  5.5496200000e-01  7.5342900000e-01  1.2020030000e+00  1.2294460000e+00  2.6917900000e-01  2.9779800000e-01  1.1597800000e-01 -1.0170600000e+00 -5.6062800000e-01 -5.2515700000e-01 -9.8443100000e-01 -1.4880260000e+00 -2.9042300000e-01 -7.6081400000e-01 -5.3727300000e-01 -1.4471240000e+00
+ENERGY -1.526587486297e+02
+FORCES -1.7702500000e-02 -7.6020000000e-03 -6.3518000000e-03 -5.5000000000e-04 -2.3124000000e-03 -2.1140000000e-03  9.0200000000e-03  4.8463000000e-03  1.1650000000e-04  8.8107000000e-03 -4.3220000000e-04  3.9147000000e-03 -3.7710000000e-04  4.9292000000e-03 -2.4782000000e-03  7.9890000000e-04  5.7100000000e-04  6.9128000000e-03
+
+JOB 2
+COORDS  1.0536890000e+00  6.9616100000e-01 -1.2639600000e-01  7.1138200000e-01  1.5722010000e+00  5.1400000000e-02  1.7262920000e+00  5.6127100000e-01  5.4116800000e-01 -1.1371030000e+00 -7.1190800000e-01  8.5975000000e-02 -9.2365600000e-01 -1.6446170000e+00  1.1290900000e-01 -3.1299900000e-01 -2.8372000000e-01 -1.4584100000e-01
+ENERGY -1.526585250160e+02
+FORCES -8.6873000000e-03 -4.2636000000e-03  5.8201000000e-03  1.9890000000e-03 -5.4762000000e-03 -4.7050000000e-04 -3.2180000000e-03  1.5706000000e-03 -3.3328000000e-03  1.7601200000e-02  8.2558000000e-03 -2.3537000000e-03  1.3566000000e-03  3.0907000000e-03  2.9000000000e-04 -9.0415000000e-03 -3.1774000000e-03  4.6900000000e-05
+
+JOB 3
+COORDS -7.1871800000e-01 -7.7755100000e-01 -7.1016000000e-01 -7.9547000000e-01 -1.4877200000e+00 -7.2977000000e-02 -1.6088670000e+00 -6.5333600000e-01 -1.0394570000e+00  7.7501600000e-01  7.9601200000e-01  7.6230100000e-01  1.3372580000e+00  1.3932260000e+00  2.6889300000e-01  1.6425800000e-01  4.4910900000e-01  1.1202000000e-01
+ENERGY -1.526598065844e+02
+FORCES  3.0113000000e-03  1.9003000000e-03  7.0812000000e-03 -1.1468000000e-03  4.1868000000e-03 -4.0943000000e-03  4.6714000000e-03 -6.8390000000e-04  2.4610000000e-03 -8.9278000000e-03 -8.8069000000e-03 -1.1445200000e-02 -2.8712000000e-03 -2.1897000000e-03 -1.8860000000e-04  5.2632000000e-03  5.5934000000e-03  6.1859000000e-03
+
+JOB 4
+COORDS  1.6819100000e-01 -6.2220500000e-01  1.1005050000e+00  7.8649200000e-01 -1.3389040000e+00  9.5810200000e-01  5.8998800000e-01 -6.8322000000e-02  1.7574160000e+00 -2.5344700000e-01  6.1059300000e-01 -1.2006450000e+00 -1.0593300000e-01  2.9136000000e-02 -4.5473600000e-01 -6.0158000000e-02  1.4857780000e+00 -8.6460600000e-01
+ENERGY -1.526573125335e+02
+FORCES  1.8377000000e-03  5.9148000000e-03 -5.4565000000e-03 -3.4471000000e-03  5.4152000000e-03 -6.8240000000e-04 -1.5779000000e-03 -3.2500000000e-03 -3.6761000000e-03  2.7580000000e-03 -6.5536000000e-03  1.9111100000e-02  5.6880000000e-04  3.6560000000e-04 -8.8615000000e-03 -1.3960000000e-04 -1.8920000000e-03 -4.3460000000e-04
+
+JOB 5
+COORDS  1.2758640000e+00 -5.7987000000e-02  1.1961000000e-01  1.6193070000e+00 -3.9159600000e-01  9.4845400000e-01  1.4170170000e+00  8.8767900000e-01  1.6459900000e-01 -1.3610400000e+00  6.6410000000e-02 -1.6591800000e-01 -4.2419600000e-01  2.4166000000e-01 -7.7359000000e-02 -1.4121690000e+00 -8.6696700000e-01 -3.7189300000e-01
+ENERGY -1.526561798802e+02
+FORCES -6.4324000000e-03 -1.6430000000e-04  3.5584000000e-03 -1.2042000000e-03  2.1986000000e-03 -4.7015000000e-03 -6.0773000000e-03 -6.1377000000e-03  2.1300000000e-05  1.9328100000e-02 -6.0250000000e-03  9.5060000000e-04 -4.3668000000e-03  8.3107000000e-03 -7.5040000000e-04 -1.2474000000e-03  1.8176000000e-03  9.2170000000e-04
+
+JOB 6
+COORDS  9.5011700000e-01 -9.6025100000e-01  2.6829100000e-01  2.2163300000e-01 -3.3950100000e-01  2.5372500000e-01  1.5409610000e+00 -6.5306000000e-01 -4.1929200000e-01 -9.2772800000e-01  8.9151700000e-01 -1.6493000000e-01 -5.5151500000e-01  1.5890940000e+00 -7.0166300000e-01 -1.5475400000e+00  4.4983400000e-01 -7.4543100000e-01
+ENERGY -1.526582212469e+02
+FORCES -1.1439600000e-02  1.4582900000e-02 -3.8713000000e-03  4.8819000000e-03 -8.0412000000e-03  7.0290000000e-04 -1.7857000000e-03 -2.1900000000e-04  1.3065000000e-03  5.2230000000e-03 -3.7286000000e-03 -2.9801000000e-03 -1.7789000000e-03 -4.7016000000e-03  1.8971000000e-03  4.8993000000e-03  2.1075000000e-03  2.9448000000e-03
+
+JOB 7
+COORDS  4.4256000000e-01 -1.1248160000e+00 -5.2119000000e-01 -4.7560600000e-01 -1.3856350000e+00 -4.4925000000e-01  8.7361400000e-01 -1.5583630000e+00  2.1533000000e-01 -4.0501200000e-01  1.1831930000e+00  5.3795000000e-01 -1.1143700000e-01  4.0332600000e-01  6.6937000000e-02 -8.6611400000e-01  1.7021800000e+00 -1.2104100000e-01
+ENERGY -1.526580973536e+02
+FORCES -1.6203000000e-03  1.3062000000e-03  6.2520000000e-03  5.2240000000e-03  6.7895000000e-03  8.2020000000e-04 -3.3299000000e-03  2.6940000000e-03 -4.0208000000e-03  7.6454000000e-03 -1.2148800000e-02 -8.9567000000e-03 -9.1669000000e-03  5.0344000000e-03  4.9700000000e-03  1.2476000000e-03 -3.6754000000e-03  9.3530000000e-04
+
+JOB 8
+COORDS -5.5170900000e-01  1.1330320000e+00 -5.8668000000e-02 -1.4226840000e+00  1.2455890000e+00 -4.3941200000e-01 -2.9917800000e-01  2.0111520000e+00  2.2657800000e-01  6.4769700000e-01 -1.1976960000e+00  8.0760000000e-02  1.9255200000e-01 -3.8106700000e-01 -1.2464900000e-01 -1.9573000000e-02 -1.8764280000e+00 -2.0759000000e-02
+ENERGY -1.526577991703e+02
+FORCES  5.5401000000e-03 -6.6686000000e-03  1.6826000000e-03  4.5220000000e-03 -4.4990000000e-04  2.3128000000e-03 -3.6340000000e-03 -3.2707000000e-03 -2.0992000000e-03 -8.5645000000e-03  1.4541900000e-02 -2.8230000000e-04  1.5806000000e-03 -7.4653000000e-03 -1.3715000000e-03  5.5580000000e-04  3.3125000000e-03 -2.4240000000e-04
+
+JOB 9
+COORDS  4.1645400000e-01 -1.0780900000e+00  5.7957600000e-01 -2.2177900000e-01 -1.7808090000e+00  4.5678800000e-01  4.4153300000e-01 -9.3940400000e-01  1.5263440000e+00 -4.1735400000e-01  1.1342630000e+00 -6.8008600000e-01 -1.2963000000e-02  1.6574690000e+00  1.1980000000e-02 -1.9189800000e-01  2.3031500000e-01 -4.6036200000e-01
+ENERGY -1.526573499414e+02
+FORCES -4.2219000000e-03  6.1977000000e-03  1.3380000000e-03  2.7024000000e-03  5.6352000000e-03 -1.2800000000e-04 -2.0750000000e-04 -1.1400000000e-03 -4.7514000000e-03  8.3592000000e-03 -1.3405700000e-02  1.0802300000e-02 -1.4359000000e-03 -3.4830000000e-04 -1.1898000000e-03 -5.1963000000e-03  3.0611000000e-03 -6.0711000000e-03
+
+JOB 10
+COORDS  9.5425000000e-02 -6.4076100000e-01 -1.2417490000e+00  1.3725200000e-01 -4.2340600000e-01 -3.1049200000e-01 -1.5817700000e-01  1.7786200000e-01 -1.6680980000e+00 -8.9348000000e-02  5.4249500000e-01  1.1645510000e+00 -2.4752000000e-02  3.3486200000e-01  2.0967250000e+00 -4.2531000000e-02  1.4978370000e+00  1.1276700000e+00
+ENERGY -1.526584383428e+02
+FORCES -2.2613000000e-03  8.7149000000e-03  1.3464300000e-02  1.1359000000e-03 -3.9786000000e-03 -5.9213000000e-03  9.4960000000e-04 -1.4699000000e-03  8.2750000000e-04  1.0254000000e-03 -8.6080000000e-04 -4.8291000000e-03 -2.7310000000e-04  2.2832000000e-03 -4.5227000000e-03 -5.7650000000e-04 -4.6888000000e-03  9.8130000000e-04
+
+JOB 11
+COORDS  6.0157600000e-01  5.6264300000e-01  1.1321960000e+00  5.2537000000e-02  3.7670900000e-01  3.7047600000e-01  1.4599860000e+00  7.7186300000e-01  7.6396800000e-01 -6.2931200000e-01 -5.0558600000e-01 -1.0543370000e+00 -8.3910500000e-01 -1.2565020000e+00 -4.9904900000e-01 -2.2402000000e-01 -8.8831700000e-01 -1.8324680000e+00
+ENERGY -1.526589741000e+02
+FORCES -3.1629000000e-03 -3.0023000000e-03 -1.4642700000e-02  1.2890000000e-04 -4.7960000000e-04  9.1513000000e-03 -1.9455000000e-03 -7.1790000000e-04  1.1388000000e-03  5.1539000000e-03 -2.1659000000e-03  2.7377000000e-03  2.1188000000e-03  5.7269000000e-03 -2.3428000000e-03 -2.2932000000e-03  6.3880000000e-04  3.9577000000e-03
+
+JOB 12
+COORDS -1.8454900000e-01  2.8673100000e-01  1.2620220000e+00  6.6684300000e-01  5.1560500000e-01  1.6348240000e+00 -8.1518700000e-01  5.1843300000e-01  1.9438150000e+00  1.2157100000e-01 -3.4589900000e-01 -1.3638960000e+00  3.1929000000e-02 -5.5972000000e-02 -4.5607600000e-01  1.0144970000e+00 -1.0123200000e-01 -1.6069050000e+00
+ENERGY -1.526589127522e+02
+FORCES -1.3711000000e-03 -3.1790000000e-04 -2.8565000000e-03 -4.4093000000e-03 -8.1360000000e-04 -2.7977000000e-03  4.7729000000e-03 -7.9850000000e-04 -1.4932000000e-03 -1.3351000000e-03  3.6628000000e-03  1.2308900000e-02  4.6401000000e-03 -1.4119000000e-03 -7.7310000000e-03 -2.2975000000e-03 -3.2100000000e-04  2.5694000000e-03
+
+JOB 13
+COORDS  5.4031000000e-02  2.0194400000e-01 -1.3174030000e+00 -8.0810000000e-02  1.1396730000e+00 -1.4542060000e+00  7.2031100000e-01 -4.1004000000e-02 -1.9602700000e+00 -4.1476000000e-02 -2.5307600000e-01  1.4069070000e+00 -9.8850100000e-01 -1.1487400000e-01  1.4235220000e+00  2.0320100000e-01 -1.2837300000e-01  4.8994800000e-01
+ENERGY -1.526604456561e+02
+FORCES  1.2877000000e-03  1.5572000000e-03  4.8360000000e-04  9.0830000000e-04 -5.2627000000e-03  9.1760000000e-04 -3.3491000000e-03  2.2216000000e-03  3.3233000000e-03 -2.2398000000e-03  1.1033000000e-03 -1.4369100000e-02  2.4121000000e-03  4.5760000000e-04  4.9640000000e-04  9.8080000000e-04 -7.7100000000e-05  9.1482000000e-03
+
+JOB 14
+COORDS  6.5752100000e-01 -1.1416350000e+00  2.9030300000e-01  1.6948000000e-01 -1.7690360000e+00 -2.4300500000e-01  6.1855400000e-01 -1.4992020000e+00  1.1773540000e+00 -6.8026200000e-01  1.2060980000e+00 -3.5150500000e-01 -2.7781000000e-01  1.8715670000e+00  2.0653900000e-01 -1.4902300000e-01  4.2224700000e-01 -2.1152500000e-01
+ENERGY -1.526606574995e+02
+FORCES -4.2254000000e-03 -4.3950000000e-04  2.3552000000e-03  1.9652000000e-03  4.5791000000e-03  3.1982000000e-03  3.9870000000e-04  7.2120000000e-04 -4.7111000000e-03  8.8804000000e-03 -9.3056000000e-03  5.2093000000e-03 -1.1167000000e-03 -2.1664000000e-03 -9.7200000000e-04 -5.9022000000e-03  6.6111000000e-03 -5.0796000000e-03
+
+JOB 15
+COORDS  3.1614000000e-02  1.3720620000e+00  3.4950000000e-03  4.6844000000e-01  1.2615470000e+00  8.4800800000e-01 -8.0959200000e-01  1.7746070000e+00  2.1927800000e-01  7.3630000000e-03 -1.4149830000e+00  9.7000000000e-04 -1.3120000000e-03 -4.9239800000e-01 -2.5396800000e-01 -2.5715000000e-01 -1.8849830000e+00 -7.8983000000e-01
+ENERGY -1.526614256990e+02
+FORCES -2.0684000000e-03 -2.8160000000e-04  5.4481000000e-03 -3.1893000000e-03 -5.9770000000e-04 -5.4352000000e-03  4.3369000000e-03 -1.9565000000e-03 -7.4400000000e-04 -6.8450000000e-04  1.0722500000e-02 -3.6228000000e-03  1.3407000000e-03 -1.0786000000e-02  2.3734000000e-03  2.6460000000e-04  2.8993000000e-03  1.9806000000e-03
+
+JOB 16
+COORDS  8.5432800000e-01  9.0880000000e-03  1.0305700000e+00  5.4004400000e-01  3.7590400000e-01  1.8569500000e+00  1.3109570000e+00 -7.9355600000e-01  1.2825340000e+00 -8.6399300000e-01 -3.3511000000e-02 -1.1412640000e+00 -1.7698300000e-01  7.5088000000e-02 -4.8365100000e-01 -1.4967020000e+00  6.5703300000e-01 -9.4362800000e-01
+ENERGY -1.526603218234e+02
+FORCES -3.4126000000e-03 -2.8350000000e-03  1.8450000000e-04  1.8301000000e-03 -2.1904000000e-03 -3.6037000000e-03 -2.1831000000e-03  4.4269000000e-03  8.4000000000e-05  7.0981000000e-03  2.1334000000e-03  1.1035000000e-02 -5.3160000000e-03  3.0600000000e-04 -8.0578000000e-03  1.9836000000e-03 -1.8410000000e-03  3.5810000000e-04
+
+JOB 17
+COORDS  8.3233900000e-01  1.0047520000e+00  3.8696200000e-01  4.3671700000e-01  1.2368400000e+00  1.2271110000e+00  8.4514600000e-01  1.8246040000e+00 -1.0691100000e-01 -7.9554800000e-01 -1.1298320000e+00 -4.1400200000e-01 -3.9220000000e-01 -4.8922500000e-01  1.7180000000e-01 -1.4645610000e+00 -6.3479100000e-01 -8.8685200000e-01
+ENERGY -1.526561372164e+02
+FORCES -9.3580000000e-04  2.9388000000e-03 -3.0944000000e-03 -7.4290000000e-04 -4.3313000000e-03 -6.1340000000e-03 -2.0150000000e-04 -3.4712000000e-03  3.3396000000e-03  6.2932000000e-03  1.1658900000e-02  9.2600000000e-04 -6.2079000000e-03 -5.3480000000e-03  3.6578000000e-03  1.7949000000e-03 -1.4473000000e-03  1.3051000000e-03
+
+JOB 18
+COORDS  9.3153000000e-02  1.1594110000e+00 -6.5793200000e-01  4.6798000000e-01  1.1290960000e+00 -1.5381700000e+00  3.0150000000e-02  2.0929320000e+00 -4.5594000000e-01 -6.6297000000e-02 -1.2504200000e+00  6.7248700000e-01 -3.2482000000e-01 -3.9296700000e-01  3.3459300000e-01 -6.2176500000e-01 -1.3830880000e+00  1.4406570000e+00
+ENERGY -1.526601144171e+02
+FORCES  2.4132000000e-03 -1.4862000000e-03 -7.5630000000e-04 -1.8447000000e-03  2.1106000000e-03  3.9788000000e-03  5.7540000000e-04 -4.0608000000e-03 -1.6716000000e-03 -6.8300000000e-04  9.5010000000e-03 -3.5735000000e-03 -2.0137000000e-03 -8.2486000000e-03  4.6157000000e-03  1.5529000000e-03  2.1840000000e-03 -2.5931000000e-03
+
+JOB 19
+COORDS  1.2707030000e+00 -6.1902000000e-01  2.3114200000e-01  4.0430500000e-01 -3.3989000000e-01 -6.4954000000e-02  1.7457980000e+00 -8.2208600000e-01 -5.7463700000e-01 -1.2530510000e+00  5.5254000000e-01 -1.3905600000e-01 -1.0037380000e+00  1.3602460000e+00  3.1003800000e-01 -1.4243010000e+00  8.2262600000e-01 -1.0412530000e+00
+ENERGY -1.526606415830e+02
+FORCES -1.0667600000e-02  2.9140000000e-03 -3.5841000000e-03  1.1261000000e-02 -2.6633000000e-03  4.7430000000e-04 -2.8863000000e-03  1.4369000000e-03  1.7526000000e-03  5.8270000000e-04  4.8632000000e-03  3.1270000000e-04 -9.2850000000e-04 -4.7359000000e-03 -3.5019000000e-03  2.6385000000e-03 -1.8148000000e-03  4.5465000000e-03
+
+JOB 20
+COORDS -7.1550900000e-01  7.4120100000e-01  1.0096040000e+00 -1.4329890000e+00  1.1806500000e+00  5.5316300000e-01 -2.4192300000e-01  2.7566300000e-01  3.2024000000e-01  6.7195300000e-01 -7.1104100000e-01 -9.2129100000e-01  8.6966800000e-01 -1.6380420000e+00 -1.0547430000e+00  1.4814700000e+00 -2.5691400000e-01 -1.1551360000e+00
+ENERGY -1.526613260366e+02
+FORCES  3.5313000000e-03 -6.4283000000e-03 -9.4261000000e-03  2.4389000000e-03 -1.4462000000e-03  7.3470000000e-04 -3.2570000000e-03  7.4858000000e-03  5.7414000000e-03  9.2370000000e-04 -1.7462000000e-03  2.2930000000e-03  6.9260000000e-04  4.7896000000e-03 -7.7350000000e-04 -4.3295000000e-03 -2.6546000000e-03  1.4305000000e-03
+
+JOB 21
+COORDS -4.3418100000e-01  3.6303000000e-02 -1.2775980000e+00 -9.2876500000e-01  7.4412400000e-01 -1.6906450000e+00 -6.8450700000e-01 -7.4804900000e-01 -1.7658200000e+00  4.5915100000e-01  3.1146000000e-02  1.3696780000e+00  6.4404400000e-01 -8.5487700000e-01  1.6811420000e+00  5.4607900000e-01 -2.5941000000e-02  4.1814500000e-01
+ENERGY -1.526587082250e+02
+FORCES -3.2372000000e-03  1.0776000000e-03  1.5671000000e-03  1.7050000000e-03 -4.1934000000e-03  5.3880000000e-04  9.9730000000e-04  3.6770000000e-03  2.2031000000e-03 -3.0114000000e-03 -2.1136000000e-03 -1.0008000000e-02 -9.6360000000e-04  2.3698000000e-03 -1.9509000000e-03  4.5099000000e-03 -8.1740000000e-04  7.6499000000e-03
+
+JOB 22
+COORDS  1.2844830000e+00 -4.8287800000e-01 -3.9280000000e-02  1.7277040000e+00  2.6458500000e-01 -4.4063400000e-01  1.4803840000e+00 -1.2181720000e+00 -6.1996800000e-01 -1.3213530000e+00  5.5058000000e-01  9.6130000000e-02 -2.0901720000e+00  2.2224000000e-02  3.1058300000e-01 -6.2053700000e-01 -8.7935000000e-02 -3.5731000000e-02
+ENERGY -1.526604120323e+02
+FORCES  3.0105000000e-03  3.5625000000e-03 -2.6503000000e-03 -1.7724000000e-03 -4.9147000000e-03  1.4415000000e-03 -2.7312000000e-03  3.9676000000e-03  2.6722000000e-03  8.3974000000e-03 -5.6478000000e-03  9.4410000000e-04  3.7381000000e-03  3.3530000000e-04 -9.6350000000e-04 -1.0642300000e-02  2.6971000000e-03 -1.4440000000e-03
+
+JOB 23
+COORDS  6.7882100000e-01 -4.5673000000e-02 -1.2046130000e+00  2.8967800000e-01 -2.3416300000e-01 -2.0585870000e+00  8.2281600000e-01  9.0061800000e-01 -1.2100990000e+00 -6.8184900000e-01 -4.4712000000e-02  1.3067430000e+00 -9.7445100000e-01  8.6205100000e-01  1.2151060000e+00 -9.6109000000e-02 -1.8423400000e-01  5.6265100000e-01
+ENERGY -1.526592339786e+02
+FORCES -3.0362000000e-03  1.4451000000e-03 -3.0787000000e-03  2.5868000000e-03  2.2497000000e-03  3.4912000000e-03 -2.4174000000e-03 -4.8873000000e-03  1.6040000000e-03  4.1855000000e-03  9.8960000000e-04 -1.0852800000e-02  1.3489000000e-03 -2.1696000000e-03 -8.5300000000e-05 -2.6676000000e-03  2.3725000000e-03  8.9217000000e-03
+
+JOB 24
+COORDS -4.4920000000e-01  2.1091500000e-01  1.3977750000e+00 -5.3194200000e-01  2.4475400000e-01  4.4475900000e-01  4.5173500000e-01 -7.4093000000e-02  1.5504770000e+00  3.9478100000e-01 -1.5248200000e-01 -1.2867660000e+00  7.3046100000e-01 -1.0448240000e+00 -1.3720670000e+00  1.2717000000e-01  8.9042000000e-02 -2.1734920000e+00
+ENERGY -1.526597275183e+02
+FORCES  6.2479000000e-03 -9.6890000000e-04 -1.1104500000e-02 -4.0274000000e-03  1.0955000000e-03  6.8387000000e-03 -2.4342000000e-03 -2.9200000000e-04  1.0964000000e-03  2.9550000000e-04 -2.7331000000e-03 -1.3774000000e-03 -1.2297000000e-03  4.7138000000e-03  1.6740000000e-04  1.1479000000e-03 -1.8153000000e-03  4.3795000000e-03
+
+JOB 25
+COORDS -4.3802100000e-01 -7.4835500000e-01  1.0401150000e+00 -3.2814600000e-01 -1.6967410000e+00  1.1088430000e+00 -8.5224700000e-01 -4.9436200000e-01  1.8648190000e+00  4.3417800000e-01  8.4364800000e-01 -1.1056780000e+00  1.3174700000e-01  2.4706400000e-01 -4.2094800000e-01  1.1439140000e+00  3.7046100000e-01 -1.5399600000e+00
+ENERGY -1.526608523686e+02
+FORCES -4.1380000000e-04  1.0542000000e-03  8.4530000000e-04 -5.1590000000e-04  4.5925000000e-03  4.0270000000e-04  1.8395000000e-03 -3.1958000000e-03 -3.1737000000e-03 -1.8013000000e-03 -7.4120000000e-03  8.1221000000e-03  3.2075000000e-03  4.4671000000e-03 -7.8987000000e-03 -2.3159000000e-03  4.9400000000e-04  1.7023000000e-03
+
+JOB 26
+COORDS  7.8235600000e-01 -3.4493300000e-01 -1.1358070000e+00  1.4887030000e+00 -8.7948100000e-01 -7.7308700000e-01  1.1320620000e+00  5.4609800000e-01 -1.1369940000e+00 -8.4556700000e-01  3.8712300000e-01  1.1117620000e+00 -6.8932600000e-01 -2.4731200000e-01  4.1225400000e-01 -9.4873500000e-01 -1.4561300000e-01  1.9002920000e+00
+ENERGY -1.526594048419e+02
+FORCES  4.6603000000e-03  5.0209000000e-03  3.4190000000e-03 -3.8738000000e-03  2.0202000000e-03 -9.1820000000e-04 -5.9030000000e-04 -4.8362000000e-03 -1.2200000000e-03  2.8790000000e-03 -5.0313000000e-03 -5.7234000000e-03 -4.6400000000e-03  1.8331000000e-03  8.0197000000e-03  1.5649000000e-03  9.9320000000e-04 -3.5770000000e-03
+
+JOB 27
+COORDS  1.0064120000e+00  2.0431000000e-02 -9.7035000000e-01  1.7808070000e+00 -1.5966000000e-02 -4.0890700000e-01  1.2422760000e+00 -4.9964500000e-01 -1.7385430000e+00 -1.1229780000e+00  4.3976000000e-02  9.9392200000e-01 -7.2243000000e-01 -5.7845500000e-01  1.6008590000e+00 -5.0641100000e-01  9.7796000000e-02  2.6373000000e-01
+ENERGY -1.526605312442e+02
+FORCES  2.5714000000e-03 -2.3022000000e-03 -1.4111000000e-03 -4.5645000000e-03 -8.3920000000e-04 -2.3825000000e-03  4.5960000000e-04  2.5144000000e-03  4.0448000000e-03  7.7733000000e-03 -2.3993000000e-03 -6.5430000000e-03 -5.9160000000e-04  2.0649000000e-03 -1.5729000000e-03 -5.6482000000e-03  9.6150000000e-04  7.8647000000e-03
+
+JOB 28
+COORDS  2.3932100000e-01 -4.9089700000e-01  1.3939300000e+00  5.6954000000e-02  2.9088500000e-01  1.9152650000e+00  3.6041900000e-01 -1.6240100000e-01  5.0305600000e-01 -2.4004000000e-01  4.7499100000e-01 -1.3309500000e+00  5.3829200000e-01  1.4742000000e-02 -1.6449590000e+00 -9.7271800000e-01  1.3080000000e-02 -1.7384460000e+00
+ENERGY -1.526588874070e+02
+FORCES -3.3182000000e-03  7.3371000000e-03 -7.4336000000e-03  6.0580000000e-04 -2.7039000000e-03 -1.1369000000e-03  5.8638000000e-03 -4.7854000000e-03  5.4200000000e-03 -3.3500000000e-03 -4.0204000000e-03 -3.4567000000e-03 -3.9146000000e-03  1.6358000000e-03  5.7717000000e-03  4.1133000000e-03  2.5367000000e-03  8.3540000000e-04
+
+JOB 29
+COORDS  3.3622200000e-01  5.2363100000e-01 -1.3598420000e+00  1.1674300000e-01  1.0814500000e-01 -5.2591600000e-01 -4.3057100000e-01  3.7240100000e-01 -1.9124630000e+00 -2.3609700000e-01 -4.9025900000e-01  1.2911170000e+00 -9.7001200000e-01 -1.0614130000e+00  1.5177980000e+00 -1.9530300000e-01  1.4369000000e-01  2.0071310000e+00
+ENERGY -1.526614262034e+02
+FORCES -4.0870000000e-03 -4.3795000000e-03  8.0232000000e-03  1.8450000000e-03  3.5989000000e-03 -9.7339000000e-03  1.9532000000e-03  5.0200000000e-05  2.1656000000e-03 -1.8527000000e-03  1.3427000000e-03  3.1326000000e-03  3.1915000000e-03  3.3190000000e-03 -7.8330000000e-04 -1.0499000000e-03 -3.9313000000e-03 -2.8041000000e-03
+
+JOB 30
+COORDS -8.6684000000e-01 -9.3433000000e-01 -5.6040800000e-01 -6.3011500000e-01 -1.8281960000e+00 -8.0779000000e-01 -1.7555070000e+00 -8.1952300000e-01 -8.9704100000e-01  9.5794000000e-01  1.0074030000e+00  5.5521300000e-01  2.4079800000e-01  4.4803700000e-01  2.5680200000e-01  8.3348900000e-01  1.0725080000e+00  1.5020530000e+00
+ENERGY -1.526615631203e+02
+FORCES  5.7400000000e-05 -2.5198000000e-03 -2.1810000000e-03 -2.9130000000e-03  3.6557000000e-03  5.7780000000e-04  4.1226000000e-03 -1.4611000000e-03  1.5085000000e-03 -6.5848000000e-03 -6.3925000000e-03 -1.2107000000e-03  5.3730000000e-03  7.2791000000e-03  4.2913000000e-03 -5.5200000000e-05 -5.6150000000e-04 -2.9859000000e-03
+
+JOB 31
+COORDS  9.8521400000e-01  9.4521000000e-01 -5.9339400000e-01  5.3069500000e-01  1.5305200000e-01 -3.0681200000e-01  1.8933350000e+00  6.6925300000e-01 -7.1747500000e-01 -9.7858700000e-01 -8.4712500000e-01  5.4920900000e-01 -1.3783740000e+00 -6.8019300000e-01  1.4027520000e+00 -1.1909190000e+00 -1.7609630000e+00  3.5934700000e-01
+ENERGY -1.526607693045e+02
+FORCES -3.7477000000e-03 -6.4545000000e-03  3.1976000000e-03  7.7021000000e-03  5.0783000000e-03 -4.6167000000e-03 -3.4498000000e-03 -1.1480000000e-04  7.1070000000e-04 -2.7574000000e-03 -3.1740000000e-04  3.2667000000e-03  9.5950000000e-04 -2.4413000000e-03 -3.9284000000e-03  1.2934000000e-03  4.2497000000e-03  1.3702000000e-03
+
+JOB 32
+COORDS -5.3342000000e-01 -1.4239070000e+00 -2.2375000000e-02 -1.7417700000e-01 -1.6027540000e+00  8.4664200000e-01 -4.2869900000e-01 -4.7921200000e-01 -1.3558400000e-01  4.5005000000e-01  1.3784060000e+00  2.3397000000e-02  1.3435570000e+00  1.1444300000e+00  2.7466000000e-01  5.2067700000e-01  1.6458420000e+00 -8.9296600000e-01
+ENERGY -1.526602689916e+02
+FORCES  2.7112000000e-03  9.8001000000e-03  3.7957000000e-03 -3.3570000000e-04  2.5000000000e-06 -2.7789000000e-03 -2.3018000000e-03 -9.1456000000e-03 -2.3793000000e-03  5.6674000000e-03  1.5546000000e-03 -2.2463000000e-03 -4.9758000000e-03  4.8420000000e-04 -1.1316000000e-03 -7.6530000000e-04 -2.6959000000e-03  4.7404000000e-03
+
+JOB 33
+COORDS -1.9604200000e-01 -1.3223520000e+00  5.0375000000e-01  7.4907000000e-01 -1.3395840000e+00  6.5441000000e-01 -5.6310600000e-01 -1.8365350000e+00  1.2228550000e+00  2.1471500000e-01  1.3555860000e+00 -5.9649100000e-01 -3.0522000000e-01  2.1029630000e+00 -3.0097800000e-01 -1.8884500000e-01  5.9916400000e-01 -1.7081800000e-01
+ENERGY -1.526612655709e+02
+FORCES  2.6554000000e-03 -3.1498000000e-03  3.1981000000e-03 -5.7211000000e-03  4.9840000000e-04 -1.3810000000e-04  2.5395000000e-03  1.9364000000e-03 -3.0309000000e-03 -4.8882000000e-03 -5.0426000000e-03  3.6645000000e-03  1.3089000000e-03 -2.9627000000e-03 -5.0450000000e-04  4.1055000000e-03  8.7202000000e-03 -3.1892000000e-03
+
+JOB 34
+COORDS  7.7491100000e-01 -6.3715000000e-02  1.2893890000e+00  3.7295100000e-01  1.0902500000e-01  4.3802400000e-01  1.2637110000e+00  7.3435700000e-01  1.4903560000e+00 -7.1168900000e-01  1.5465000000e-02 -1.2403060000e+00 -1.2702100000e+00 -7.6122600000e-01 -1.2725010000e+00 -1.3013780000e+00  7.4341700000e-01 -1.4367360000e+00
+ENERGY -1.526617287814e+02
+FORCES -2.8365000000e-03  2.5415000000e-03 -8.1544000000e-03  5.3398000000e-03  1.0690000000e-04  9.6532000000e-03 -2.1539000000e-03 -2.0159000000e-03 -1.3284000000e-03 -5.2156000000e-03 -1.5193000000e-03 -8.7300000000e-04  2.1194000000e-03  4.5066000000e-03 -3.7480000000e-04  2.7468000000e-03 -3.6197000000e-03  1.0774000000e-03
+
+JOB 35
+COORDS -2.0321200000e-01  1.4056610000e+00 -2.1482500000e-01  2.7078700000e-01  1.4514990000e+00 -1.0451600000e+00 -9.5814100000e-01  1.9812490000e+00 -3.3734900000e-01  2.4775200000e-01 -1.4529630000e+00  3.3374700000e-01  2.5619100000e-01 -2.0868790000e+00 -3.8340700000e-01 -2.1979100000e-01 -6.9641100000e-01 -2.0180000000e-02
+ENERGY -1.526589971652e+02
+FORCES  6.9650000000e-04  5.1660000000e-03 -2.5306000000e-03 -3.7023000000e-03 -1.6484000000e-03  3.7666000000e-03  3.8550000000e-03 -3.1222000000e-03  1.3030000000e-04 -2.9127000000e-03  5.9506000000e-03 -2.4713000000e-03  7.1000000000e-06  3.4946000000e-03  1.7824000000e-03  2.0564000000e-03 -9.8407000000e-03 -6.7740000000e-04
+
+JOB 36
+COORDS -2.8386200000e-01  5.1224000000e-01  1.3087670000e+00 -5.5182200000e-01  1.1896000000e-01  2.1392850000e+00  3.0587000000e-01  1.2233880000e+00  1.5592000000e+00  2.7421400000e-01 -4.7899600000e-01 -1.4134340000e+00  4.2160900000e-01 -1.4145270000e+00 -1.5523160000e+00  4.7920000000e-03 -4.1188700000e-01 -4.9738800000e-01
+ENERGY -1.526611381425e+02
+FORCES  1.9551000000e-03  2.8858000000e-03  3.6007000000e-03  1.7410000000e-03  1.9402000000e-03 -3.6352000000e-03 -3.2682000000e-03 -3.5179000000e-03  3.6970000000e-04 -1.7136000000e-03 -1.6340000000e-04  7.6452000000e-03 -7.1400000000e-04  2.9588000000e-03  1.3646000000e-03  1.9997000000e-03 -4.1035000000e-03 -9.3451000000e-03
+
+JOB 37
+COORDS -1.2872500000e-01 -1.3908800000e+00  6.8965300000e-01  5.2047300000e-01 -7.2203100000e-01  4.7190300000e-01 -9.4855300000e-01 -1.0572220000e+00  3.2525500000e-01  7.7144000000e-02  1.2948770000e+00 -6.7232700000e-01  9.2578600000e-01  1.3151370000e+00 -1.1146250000e+00  1.5890600000e-01  1.9364580000e+00  3.3308000000e-02
+ENERGY -1.526580609181e+02
+FORCES -1.6461000000e-03  9.5822000000e-03 -6.0785000000e-03  2.1904000000e-03 -4.5876000000e-03  3.0800000000e-03  7.3090000000e-04 -3.7126000000e-03  2.7167000000e-03  2.3356000000e-03  4.2543000000e-03 -2.9490000000e-04 -3.7114000000e-03 -1.4028000000e-03  3.6887000000e-03  1.0060000000e-04 -4.1335000000e-03 -3.1121000000e-03
+
+JOB 38
+COORDS -6.6371900000e-01  6.0519600000e-01 -1.1506440000e+00 -1.6140070000e+00  4.9068000000e-01 -1.1421970000e+00 -5.3659800000e-01  1.5496560000e+00 -1.2404610000e+00  7.3207300000e-01 -6.0990700000e-01  1.2027600000e+00  7.5635900000e-01 -1.5667950000e+00  1.1999670000e+00  2.9898000000e-01 -3.7843500000e-01  3.8112600000e-01
+ENERGY -1.526617272662e+02
+FORCES -3.2181000000e-03  5.0851000000e-03 -4.5960000000e-04  4.6260000000e-03  6.0300000000e-04 -4.4100000000e-05 -1.6758000000e-03 -4.4109000000e-03 -1.3850000000e-04 -3.3137000000e-03  6.4710000000e-04 -7.3857000000e-03 -8.1620000000e-04  3.1570000000e-03 -5.1260000000e-04  4.3977000000e-03 -5.0813000000e-03  8.5405000000e-03
+
+JOB 39
+COORDS  4.5968300000e-01  1.2676500000e+00 -7.7132700000e-01  5.1535700000e-01  3.7676700000e-01 -4.2569800000e-01  3.1070900000e-01  1.8152450000e+00 -4.9800000000e-04 -4.0235000000e-01 -1.2350910000e+00  6.7158400000e-01 -3.9125100000e-01 -1.7917060000e+00  1.4502300000e+00 -1.3080000000e+00 -9.3223100000e-01  6.0597300000e-01
+ENERGY -1.526604015496e+02
+FORCES  5.9200000000e-05 -5.3510000000e-03  6.7184000000e-03  3.6690000000e-04  7.0492000000e-03 -4.6925000000e-03 -1.9030000000e-04 -1.1220000000e-03 -2.7780000000e-03 -3.7901000000e-03 -1.9611000000e-03  2.7657000000e-03 -1.2596000000e-03  2.7445000000e-03 -3.2557000000e-03  4.8139000000e-03 -1.3596000000e-03  1.2421000000e-03
+
+JOB 40
+COORDS  5.0373800000e-01 -9.5532500000e-01 -9.6548300000e-01  5.2485000000e-02 -1.0584180000e+00 -1.8033220000e+00  1.1990700000e+00 -1.6128730000e+00 -9.8489800000e-01 -5.0760000000e-01  1.0688440000e+00  1.0071080000e+00 -9.1951300000e-01  5.8837600000e-01  1.7252380000e+00 -2.4902300000e-01  3.9137700000e-01  3.8228200000e-01
+ENERGY -1.526614549803e+02
+FORCES  2.2922000000e-03 -2.7767000000e-03 -2.9835000000e-03  2.5056000000e-03 -1.6120000000e-04  3.9509000000e-03 -3.6059000000e-03  2.2397000000e-03 -1.2589000000e-03  1.9679000000e-03 -7.4030000000e-03 -3.1700000000e-03  1.3668000000e-03  1.3564000000e-03 -2.2172000000e-03 -4.5267000000e-03  6.7449000000e-03  5.6787000000e-03
+
+JOB 41
+COORDS  6.8209000000e-02 -3.2553000000e-02 -1.5514050000e+00  9.4859600000e-01  1.9543800000e-01 -1.8500200000e+00  1.0761400000e-01  5.5092000000e-02 -5.9904100000e-01 -1.3687200000e-01  4.0595000000e-02  1.4474500000e+00  6.7817000000e-01  2.0690300000e-01  1.9210320000e+00 -6.4630300000e-01 -5.1742900000e-01  2.0350900000e+00
+ENERGY -1.526607207976e+02
+FORCES  1.3893000000e-03  8.6060000000e-04  7.6130000000e-03 -2.5685000000e-03 -6.6820000000e-04  1.8312000000e-03  2.4646000000e-03  5.4390000000e-04 -1.0131700000e-02 -8.4400000000e-04 -2.7509000000e-03  4.7677000000e-03 -3.6276000000e-03 -1.0590000000e-03 -2.8212000000e-03  3.1862000000e-03  3.0735000000e-03 -1.2589000000e-03
+
+JOB 42
+COORDS  3.2318500000e-01 -1.0050950000e+00 -1.2044710000e+00  3.4681800000e-01 -2.5729000000e-01 -6.0742700000e-01 -4.4408000000e-01 -1.5072430000e+00 -9.2991000000e-01 -2.7276800000e-01  9.3363200000e-01  1.1248670000e+00 -1.0774800000e-01  1.1243760000e+00  2.0482400000e+00 -5.5045100000e-01  1.7707040000e+00  7.5279800000e-01
+ENERGY -1.526603313660e+02
+FORCES -3.4935000000e-03  2.8472000000e-03  7.8764000000e-03  1.0903000000e-03 -3.0336000000e-03 -7.6997000000e-03  2.3555000000e-03  6.3930000000e-04 -1.9772000000e-03 -1.6840000000e-04  3.8188000000e-03  4.4819000000e-03 -1.6477000000e-03  1.7530000000e-04 -4.0913000000e-03  1.8637000000e-03 -4.4470000000e-03  1.4099000000e-03
+
+JOB 43
+COORDS  5.5286000000e-02 -2.1110100000e-01  1.6026900000e+00  5.7111100000e-01  3.7725400000e-01  1.0513330000e+00 -4.1857600000e-01 -7.6634300000e-01  9.8350200000e-01 -3.6044000000e-02  1.8927300000e-01 -1.5892660000e+00  3.1300200000e-01  9.4116000000e-01 -1.1106590000e+00 -7.5157700000e-01 -1.3296300000e-01 -1.0411710000e+00
+ENERGY -1.526507962286e+02
+FORCES  2.4926000000e-03 -1.8339000000e-03 -5.9087000000e-03 -3.3623000000e-03  1.9210000000e-04  1.0074000000e-03 -7.1350000000e-04  3.8938000000e-03  7.5210000000e-04 -2.7517000000e-03  3.2848000000e-03  3.4360000000e-03 -1.7790000000e-04 -4.6574000000e-03  3.3210000000e-04  4.5127000000e-03 -8.7950000000e-04  3.8110000000e-04
+
+JOB 44
+COORDS -8.8332900000e-01  1.2920190000e+00 -3.5351400000e-01 -1.5947220000e+00  1.0888330000e+00  2.5383000000e-01 -1.5586500000e-01  7.4145600000e-01 -6.3841000000e-02  8.4956700000e-01 -1.2253110000e+00  3.5427800000e-01  6.3084600000e-01 -2.0284590000e+00 -1.1831700000e-01  1.6367190000e+00 -8.9766100000e-01 -8.0772000000e-02
+ENERGY -1.526593094073e+02
+FORCES  1.5012000000e-03 -7.3669000000e-03  5.1558000000e-03  1.5286000000e-03  1.3665000000e-03 -2.3869000000e-03 -1.4645000000e-03  7.6554000000e-03 -2.9677000000e-03  1.9247000000e-03 -5.1373000000e-03 -4.2190000000e-03  1.8554000000e-03  3.2558000000e-03  2.5015000000e-03 -5.3453000000e-03  2.2660000000e-04  1.9162000000e-03
+
+JOB 45
+COORDS -1.1499090000e+00  2.1728000000e-02  1.1291890000e+00 -4.2015600000e-01  5.7146500000e-01  8.4373800000e-01 -1.7596030000e+00  3.0073000000e-02  3.9133000000e-01  1.1489170000e+00  1.1368000000e-02 -1.0797110000e+00  5.0034600000e-01 -6.2443900000e-01 -1.3819310000e+00  1.7097770000e+00 -4.8340700000e-01 -4.8233000000e-01
+ENERGY -1.526577921333e+02
+FORCES  2.4784000000e-03  4.0278000000e-03 -6.1319000000e-03 -4.2841000000e-03 -2.4532000000e-03  4.4153000000e-03  2.0420000000e-03 -1.2392000000e-03  2.4604000000e-03  1.1910000000e-04 -7.1352000000e-03  7.9750000000e-04  2.1192000000e-03  3.6912000000e-03  8.4940000000e-04 -2.4746000000e-03  3.1086000000e-03 -2.3906000000e-03
+
+JOB 46
+COORDS -6.9620600000e-01 -1.3682590000e+00 -1.0703000000e-01 -1.5900030000e+00 -1.2768650000e+00 -4.3718900000e-01 -6.1906500000e-01 -2.2940420000e+00  1.2363800000e-01  7.4142000000e-01  1.4696630000e+00  7.9318000000e-02  1.1399390000e+00  1.2820580000e+00  9.2915300000e-01  2.9112700000e-01  6.5923200000e-01 -1.5873500000e-01
+ENERGY -1.526602544043e+02
+FORCES -3.0160000000e-03 -5.2270000000e-03  5.1000000000e-06  4.4298000000e-03 -4.3530000000e-04  1.4866000000e-03 -1.4660000000e-03  3.7555000000e-03 -1.0415000000e-03 -1.4003000000e-03 -7.7214000000e-03  2.5117000000e-03 -6.6510000000e-04  1.4537000000e-03 -2.5191000000e-03  2.1176000000e-03  8.1746000000e-03 -4.4270000000e-04
+
+JOB 47
+COORDS -9.4991500000e-01 -9.6495200000e-01  9.6144200000e-01 -1.3915770000e+00 -2.1373500000e-01  1.3574730000e+00 -1.0219870000e+00 -8.1608500000e-01  1.8640000000e-02  9.5318600000e-01  8.8677900000e-01 -9.8210700000e-01  1.3510290000e+00  1.7563610000e+00 -1.0243050000e+00  9.6737700000e-01  6.6125500000e-01 -5.1962000000e-02
+ENERGY -1.526584037305e+02
+FORCES -4.5588000000e-03  2.3310000000e-03 -3.6872000000e-03  3.0249000000e-03 -2.7126000000e-03 -1.2916000000e-03  5.6160000000e-04 -1.1007000000e-03  5.9700000000e-03  3.0685000000e-03  1.9273000000e-03  3.8619000000e-03 -1.7279000000e-03 -3.5320000000e-03  8.4550000000e-04 -3.6830000000e-04  3.0868000000e-03 -5.6986000000e-03
+
+JOB 48
+COORDS  9.9799900000e-01  1.2804770000e+00 -3.4441000000e-01  6.4107500000e-01  4.1145600000e-01 -5.2781900000e-01  1.9462360000e+00  1.1701360000e+00 -4.1443800000e-01 -9.6185800000e-01 -1.2203620000e+00  3.7497600000e-01 -1.7042140000e+00 -8.3867200000e-01  8.4343300000e-01 -1.3566070000e+00 -1.6819610000e+00 -3.6484200000e-01
+ENERGY -1.526587929801e+02
+FORCES  2.9270000000e-04 -6.1090000000e-03  6.4710000000e-04  4.5869000000e-03  6.4542000000e-03 -2.8486000000e-03 -3.4675000000e-03  1.5770000000e-04  1.2580000000e-04 -6.7472000000e-03 -5.5150000000e-04  1.6820000000e-03  2.7360000000e-03 -2.7627000000e-03 -2.3933000000e-03  2.5990000000e-03  2.8113000000e-03  2.7871000000e-03
+
+JOB 49
+COORDS -4.7157600000e-01 -7.8023200000e-01  1.3914890000e+00 -1.8292900000e-01 -1.6253690000e+00  1.0470200000e+00  3.1022600000e-01 -4.0752700000e-01  1.7990530000e+00  4.1722500000e-01  7.8179000000e-01 -1.4606090000e+00  2.9651000000e-01  3.0523700000e-01 -6.3929400000e-01  4.2061000000e-01  1.7041230000e+00 -1.2046370000e+00
+ENERGY -1.526578412756e+02
+FORCES  2.3835000000e-03 -4.9444000000e-03  4.4595000000e-03 -8.3360000000e-04  5.3910000000e-03  7.8720000000e-04 -3.6811000000e-03 -7.3590000000e-04 -4.2593000000e-03 -3.1909000000e-03  9.7670000000e-04  6.0553000000e-03  4.7604000000e-03  2.6145000000e-03 -6.1559000000e-03  5.6170000000e-04 -3.3019000000e-03 -8.8680000000e-04
+
+JOB 50
+COORDS  5.0712000000e-01 -1.0047500000e+00 -1.2212620000e+00  1.2844270000e+00 -4.5899100000e-01 -1.1022110000e+00  7.7937300000e-01 -1.8761690000e+00 -9.3361900000e-01 -5.3342000000e-01  9.8919300000e-01  1.2424800000e+00 -8.1333500000e-01  1.9045490000e+00  1.2408000000e+00 -8.9656400000e-01  6.2570400000e-01  4.3487000000e-01
+ENERGY -1.526582322416e+02
+FORCES  5.7739000000e-03 -2.0260000000e-03  2.3806000000e-03 -3.4188000000e-03 -2.5413000000e-03 -1.5687000000e-03 -8.9490000000e-04  3.4845000000e-03 -1.6300000000e-03 -3.0200000000e-03  2.5190000000e-04 -4.2233000000e-03  1.4172000000e-03 -3.5767000000e-03 -4.2940000000e-04  1.4270000000e-04  4.4075000000e-03  5.4708000000e-03
+
+JOB 51
+COORDS -3.6225200000e-01  5.8081300000e-01  1.4775280000e+00 -3.3914100000e-01  1.1349910000e+00  2.2576460000e+00 -1.9773300000e-01 -3.0305600000e-01  1.8060720000e+00  3.4458300000e-01 -6.1679000000e-01 -1.5873920000e+00 -1.3403700000e-01  2.1151900000e-01 -1.6199370000e+00  9.3263900000e-01 -5.2487100000e-01 -8.3774400000e-01
+ENERGY -1.526570938593e+02
+FORCES -6.9960000000e-04 -1.4867000000e-03  5.8010000000e-03 -1.5200000000e-04 -2.5961000000e-03 -3.4185000000e-03  5.1330000000e-04  4.3124000000e-03 -1.6028000000e-03 -6.2770000000e-04  5.8700000000e-03  4.9492000000e-03  1.9236000000e-03 -3.4331000000e-03 -2.3386000000e-03 -9.5770000000e-04 -2.6665000000e-03 -3.3902000000e-03
+
+JOB 52
+COORDS -3.0012600000e-01  1.6611100000e+00 -4.2978200000e-01  2.1858700000e-01  2.0285430000e+00  2.8587300000e-01 -1.1991430000e+00  1.9258570000e+00 -2.3508100000e-01  3.6769900000e-01 -1.7007300000e+00  4.1537200000e-01  3.8834300000e-01 -1.8832430000e+00 -5.2404000000e-01 -5.4530000000e-01 -1.4774050000e+00  5.9645200000e-01
+ENERGY -1.526546428952e+02
+FORCES  1.4090000000e-04  2.7889000000e-03  4.2869000000e-03 -2.7374000000e-03 -6.4790000000e-04 -3.1628000000e-03  3.4795000000e-03 -2.0807000000e-03 -7.1230000000e-04 -3.8975000000e-03  2.9922000000e-03 -4.6218000000e-03  7.1000000000e-05 -8.0470000000e-04  3.8097000000e-03  2.9436000000e-03 -2.2478000000e-03  4.0020000000e-04
+
+JOB 53
+COORDS  1.1156690000e+00  1.3267440000e+00  6.6567600000e-01  6.3994100000e-01  5.0508400000e-01  5.4406000000e-01  1.1547810000e+00  1.4431670000e+00  1.6149640000e+00 -1.0891460000e+00 -1.2282760000e+00 -7.4799900000e-01 -7.4129400000e-01 -2.0796220000e+00 -1.0134020000e+00 -1.4636120000e+00 -1.3818670000e+00  1.1942100000e-01
+ENERGY -1.526562458147e+02
+FORCES -2.5308000000e-03 -3.4134000000e-03  1.4419000000e-03  3.6611000000e-03  4.6835000000e-03  3.8224000000e-03 -4.6020000000e-04 -8.0540000000e-04 -3.6506000000e-03 -2.3690000000e-03 -6.0007000000e-03  3.2600000000e-05 -1.6184000000e-03  3.9138000000e-03  1.6034000000e-03  3.3173000000e-03  1.6222000000e-03 -3.2497000000e-03
+
+JOB 54
+COORDS -9.6425600000e-01  1.0094400000e-01 -1.6063410000e+00 -4.7176500000e-01  1.3211400000e-01 -7.8615100000e-01 -1.4532910000e+00 -7.2068300000e-01 -1.5615470000e+00  9.0536300000e-01 -7.4692000000e-02  1.5480750000e+00  1.3990660000e+00 -2.1510000000e-02  2.3664030000e+00  1.5146690000e+00  2.3818400000e-01  8.7943000000e-01
+ENERGY -1.526567389574e+02
+FORCES -7.6530000000e-04 -3.6260000000e-03  5.2083000000e-03 -4.1830000000e-04  7.3490000000e-04 -5.9552000000e-03  1.6420000000e-03  3.1713000000e-03 -9.0200000000e-04  5.6740000000e-03  1.5254000000e-03  3.3102000000e-03 -1.6078000000e-03 -2.6360000000e-04 -3.5859000000e-03 -4.5246000000e-03 -1.5420000000e-03  1.9246000000e-03
+
+JOB 55
+COORDS  1.5101030000e+00 -1.1019690000e+00  4.4402000000e-02  1.5887220000e+00 -1.8410070000e+00  6.4762200000e-01  8.5083900000e-01 -5.3482900000e-01  4.4434500000e-01 -1.4845860000e+00  1.1757610000e+00 -1.3585600000e-01 -1.0265970000e+00  9.9554000000e-01  6.8511900000e-01 -1.7936990000e+00  3.1935000000e-01 -4.3122200000e-01
+ENERGY -1.526526131036e+02
+FORCES -1.4147000000e-03 -3.7440000000e-04  3.6182000000e-03 -7.7510000000e-04  3.3910000000e-03 -2.6853000000e-03  1.5361000000e-03 -2.6631000000e-03 -2.1490000000e-04 -1.1039000000e-03 -3.4528000000e-03  1.2665000000e-03  3.2900000000e-05 -8.7740000000e-04 -4.1060000000e-03  1.7247000000e-03  3.9767000000e-03  2.1215000000e-03
+
+JOB 56
+COORDS -1.8240580000e+00  1.9089000000e-02 -4.5980600000e-01 -1.9175790000e+00 -7.4437600000e-01  1.0993700000e-01 -1.2612490000e+00 -2.8145700000e-01 -1.1733530000e+00  1.7348710000e+00  4.1648000000e-02  4.6326400000e-01  2.3438680000e+00 -6.4661900000e-01  1.9560400000e-01  2.2935150000e+00  7.2743900000e-01  8.2910600000e-01
+ENERGY -1.526541779824e+02
+FORCES  4.6426000000e-03 -3.9402000000e-03  4.5450000000e-04 -7.4610000000e-04  2.5762000000e-03 -2.4569000000e-03 -3.6579000000e-03  6.4370000000e-04  1.6247000000e-03  5.0149000000e-03  1.2894000000e-03  1.1619000000e-03 -3.2306000000e-03  2.6119000000e-03  7.6200000000e-04 -2.0230000000e-03 -3.1810000000e-03 -1.5462000000e-03
+
+JOB 57
+COORDS  1.1948890000e+00  1.3714050000e+00 -4.5061200000e-01  1.4781610000e+00  6.2110700000e-01 -9.7314600000e-01  1.9485330000e+00  1.9615340000e+00 -4.4979000000e-01 -1.2270770000e+00 -1.4191720000e+00  4.4454200000e-01 -1.9376810000e+00 -8.1655400000e-01  2.2516600000e-01 -8.8323800000e-01 -1.0922720000e+00  1.2758920000e+00
+ENERGY -1.526559306518e+02
+FORCES  4.1568000000e-03 -1.3629000000e-03 -2.7798000000e-03 -3.0960000000e-04  4.0721000000e-03  2.0138000000e-03 -3.1170000000e-03 -2.4976000000e-03  1.2470000000e-04 -1.1010000000e-03  5.2867000000e-03  2.6304000000e-03  2.2040000000e-03 -3.0981000000e-03  8.8110000000e-04 -1.8332000000e-03 -2.4002000000e-03 -2.8702000000e-03
+
+JOB 58
+COORDS -1.2923320000e+00  1.4275710000e+00  9.7058000000e-02 -1.9276120000e+00  7.8945900000e-01 -2.2769500000e-01 -1.5424040000e+00  1.5720860000e+00  1.0096430000e+00  1.2936800000e+00 -1.4434520000e+00 -1.3367000000e-01  1.3085290000e+00 -5.7846800000e-01  2.7598100000e-01  2.1560260000e+00 -1.5315520000e+00 -5.3966200000e-01
+ENERGY -1.526561770036e+02
+FORCES -4.9341000000e-03 -2.2510000000e-03  1.5717000000e-03  2.2402000000e-03  3.3591000000e-03  1.6624000000e-03  1.5927000000e-03 -7.0990000000e-04 -3.6843000000e-03  2.9781000000e-03  4.3394000000e-03 -2.5980000000e-04  1.4452000000e-03 -5.0181000000e-03 -9.1020000000e-04 -3.3220000000e-03  2.8050000000e-04  1.6201000000e-03
+
+JOB 59
+COORDS  3.1381600000e-01 -1.0392140000e+00 -1.6071320000e+00 -4.4010000000e-02 -1.4000710000e+00 -2.4182880000e+00  5.2717000000e-02 -1.1838200000e-01 -1.6184060000e+00 -2.3084600000e-01  1.0372880000e+00  1.6128340000e+00 -5.4136300000e-01  1.3205760000e+00  2.4728110000e+00 -7.2398600000e-01  2.3725500000e-01  1.4311970000e+00
+ENERGY -1.526557139814e+02
+FORCES -1.4861000000e-03  2.9522000000e-03 -3.9250000000e-03  1.4016000000e-03  1.4732000000e-03  3.4180000000e-03  2.6400000000e-04 -4.9039000000e-03 -3.1570000000e-04 -2.7156000000e-03 -2.8612000000e-03  3.4129000000e-03  1.1866000000e-03 -1.2296000000e-03 -3.4549000000e-03  1.3496000000e-03  4.5693000000e-03  8.6480000000e-04
+
+JOB 60
+COORDS -4.5979200000e-01  1.2628380000e+00  1.4946730000e+00 -3.5464100000e-01  2.2103660000e+00  1.5804930000e+00 -1.8956600000e-01  1.0717610000e+00  5.9650900000e-01  4.1822300000e-01 -1.2691540000e+00 -1.3959080000e+00  1.9347800000e-01 -1.0170630000e+00 -2.2915480000e+00  9.8557100000e-01 -2.0334490000e+00 -1.4969140000e+00
+ENERGY -1.526559911554e+02
+FORCES  1.8981000000e-03  1.5871000000e-03 -4.0554000000e-03 -4.2870000000e-04 -3.6497000000e-03 -4.0810000000e-04 -1.7549000000e-03  3.3109000000e-03  4.7058000000e-03  1.6896000000e-03 -3.9273000000e-03 -4.0851000000e-03  1.0452000000e-03 -5.1400000000e-04  4.0032000000e-03 -2.4492000000e-03  3.1929000000e-03 -1.6040000000e-04
+
+JOB 61
+COORDS -1.5713600000e-01  2.8693800000e-01  2.0460530000e+00  2.3247800000e-01  9.0262600000e-01  1.4252780000e+00 -9.4527000000e-02  7.2828300000e-01  2.8931220000e+00  1.5323900000e-01 -4.0778200000e-01 -2.0870670000e+00  6.5343900000e-01  3.7404000000e-01 -1.8530050000e+00 -7.5239300000e-01 -1.8745200000e-01 -1.8690810000e+00
+ENERGY -1.526533656876e+02
+FORCES  2.3191000000e-03  3.9457000000e-03  1.4915000000e-03 -1.9848000000e-03 -2.1008000000e-03  1.9362000000e-03 -2.7960000000e-04 -1.8756000000e-03 -3.6597000000e-03 -2.1195000000e-03  3.2806000000e-03  1.9463000000e-03 -2.0064000000e-03 -2.8421000000e-03 -3.6250000000e-04  4.0712000000e-03 -4.0790000000e-04 -1.3517000000e-03
+
+JOB 62
+COORDS -2.0897090000e+00  2.2839000000e-02 -2.9082900000e-01 -2.7197350000e+00 -2.8165300000e-01  3.6230400000e-01 -1.3887100000e+00 -6.2862200000e-01 -2.7005600000e-01  2.0258850000e+00  9.1980000000e-03  2.6563500000e-01  2.6504300000e+00 -4.0894100000e-01 -3.2710000000e-01  2.4952040000e+00  7.6794500000e-01  6.1244200000e-01
+ENERGY -1.526552898487e+02
+FORCES  1.7930000000e-03 -3.7148000000e-03  3.0292000000e-03  2.2827000000e-03  1.2446000000e-03 -2.5705000000e-03 -4.6082000000e-03  1.8642000000e-03 -6.4910000000e-04  4.7720000000e-03  2.5065000000e-03 -8.8740000000e-04 -2.7834000000e-03  1.5025000000e-03  2.4659000000e-03 -1.4561000000e-03 -3.4030000000e-03 -1.3881000000e-03
+
+JOB 63
+COORDS  6.9675600000e-01 -1.9872100000e+00 -5.0646600000e-01 -1.4125000000e-02 -2.4352210000e+00 -9.6490400000e-01  5.4013500000e-01 -1.0573890000e+00 -6.7118600000e-01 -7.0643900000e-01  1.9323030000e+00  5.3303700000e-01  1.4615500000e-01  1.6750530000e+00  1.8212800000e-01 -5.2257100000e-01  2.7039920000e+00  1.0686870000e+00
+ENERGY -1.526538252451e+02
+FORCES -4.7299000000e-03  1.7106000000e-03 -2.3183000000e-03  3.2424000000e-03  1.5494000000e-03  1.7187000000e-03  1.9027000000e-03 -2.8616000000e-03  6.1050000000e-04  4.3126000000e-03  3.1118000000e-03  1.9049000000e-03 -3.8559000000e-03 -3.7660000000e-04  4.6270000000e-04 -8.7190000000e-04 -3.1336000000e-03 -2.3785000000e-03
+
+JOB 64
+COORDS  1.3702700000e-01 -1.6276020000e+00  1.6090410000e+00  1.0748000000e-02 -2.2494060000e+00  8.9235000000e-01 -4.8666000000e-01 -9.2412900000e-01  1.4291200000e+00 -1.1700600000e-01  1.6577110000e+00 -1.4993300000e+00  7.7970400000e-01  1.5798980000e+00 -1.8250400000e+00 -6.4799600000e-01  1.1904870000e+00 -2.1442980000e+00
+ENERGY -1.526548839378e+02
+FORCES -3.1030000000e-03  1.2988000000e-03 -3.8468000000e-03  5.8050000000e-04  2.2077000000e-03  2.7654000000e-03  2.2367000000e-03 -3.8487000000e-03  1.2906000000e-03  2.2043000000e-03 -1.4658000000e-03 -4.4013000000e-03 -3.9817000000e-03  2.9630000000e-04  1.1107000000e-03  2.0632000000e-03  1.5118000000e-03  3.0813000000e-03
+
+JOB 65
+COORDS  2.5591000000e-02  1.7147500000e+00  1.4599750000e+00  4.3232600000e-01  2.3955520000e+00  1.9959860000e+00  3.6988000000e-01  1.8648310000e+00  5.7953600000e-01 -5.9399000000e-02 -1.7048700000e+00 -1.4737140000e+00 -8.5994900000e-01 -2.0148670000e+00 -1.0503320000e+00  5.8266300000e-01 -2.3950880000e+00 -1.3076200000e+00
+ENERGY -1.526549340554e+02
+FORCES  3.1149000000e-03  3.0110000000e-03 -2.1236000000e-03 -1.6010000000e-03 -2.7808000000e-03 -2.0887000000e-03 -1.3488000000e-03  2.2750000000e-04  4.2124000000e-03 -9.1320000000e-04 -4.1382000000e-03  3.0789000000e-03  3.2702000000e-03  9.3570000000e-04 -2.1874000000e-03 -2.5221000000e-03  2.7448000000e-03 -8.9170000000e-04
+
+JOB 66
+COORDS  1.4699190000e+00  9.3331200000e-01 -1.4585380000e+00  7.5807400000e-01  4.4853000000e-01 -1.8762640000e+00  2.2660850000e+00  5.8035800000e-01 -1.8557470000e+00 -1.4165410000e+00 -9.3670600000e-01  1.5103910000e+00 -2.2345660000e+00 -9.5302600000e-01  2.0071820000e+00 -1.5283310000e+00 -2.1854800000e-01  8.8750800000e-01
+ENERGY -1.526541477056e+02
+FORCES  1.0946000000e-03 -3.9884000000e-03 -3.1789000000e-03  2.3315000000e-03  2.4075000000e-03  1.9416000000e-03 -3.2580000000e-03  1.6406000000e-03  1.3793000000e-03 -3.3485000000e-03  3.4696000000e-03 -1.4730000000e-04  3.3372000000e-03 -1.1600000000e-05 -2.0550000000e-03 -1.5680000000e-04 -3.5176000000e-03  2.0603000000e-03
+
+JOB 67
+COORDS -5.9640100000e-01 -2.2584740000e+00 -4.9129000000e-02 -4.1416500000e-01 -1.4445120000e+00  4.2043400000e-01  2.0614300000e-01 -2.4377480000e+00 -5.3904300000e-01  5.5950800000e-01  2.2675070000e+00  7.2084000000e-02  4.2692900000e-01  1.3865950000e+00  4.2229500000e-01  2.6901000000e-01  2.2101260000e+00 -8.3816300000e-01
+ENERGY -1.526528106502e+02
+FORCES  4.0817000000e-03  1.4201000000e-03  2.0520000000e-04 -4.8290000000e-04 -2.1286000000e-03 -2.4351000000e-03 -3.5966000000e-03  1.2074000000e-03  2.1015000000e-03 -2.0491000000e-03 -3.0422000000e-03 -2.6081000000e-03  5.6580000000e-04  2.4871000000e-03 -1.3391000000e-03  1.4811000000e-03  5.6200000000e-05  4.0756000000e-03
+
+JOB 68
+COORDS -4.2499800000e-01  1.9683490000e+00 -1.0841210000e+00 -1.3821900000e+00  1.9646550000e+00 -1.0829830000e+00 -1.8796400000e-01  2.8355340000e+00 -7.5543100000e-01  4.1745300000e-01 -1.9920660000e+00  1.1194490000e+00  9.7037200000e-01 -2.7733060000e+00  1.1327370000e+00  5.6777600000e-01 -1.6063150000e+00  2.5641300000e-01
+ENERGY -1.526552313752e+02
+FORCES -3.1286000000e-03  3.9177000000e-03  1.8079000000e-03  3.9968000000e-03  4.8800000000e-05 -2.4350000000e-04 -1.0313000000e-03 -3.4290000000e-03 -1.5599000000e-03  2.8684000000e-03 -7.9990000000e-04 -3.8475000000e-03 -2.1927000000e-03  3.0627000000e-03  2.2000000000e-06 -5.1260000000e-04 -2.8003000000e-03  3.8408000000e-03
+
+JOB 69
+COORDS -6.5970400000e-01  1.6535950000e+00 -1.6116770000e+00 -1.1749500000e-01  2.0172300000e+00 -2.3116850000e+00 -8.3421400000e-01  2.3958930000e+00 -1.0330830000e+00  5.9362400000e-01 -1.7066550000e+00  1.6774560000e+00  5.7450700000e-01 -1.2448610000e+00  8.3923600000e-01  1.3189640000e+00 -2.3256390000e+00  1.5939540000e+00
+ENERGY -1.526552990007e+02
+FORCES  9.0390000000e-04  5.1668000000e-03 -7.3360000000e-04 -2.1113000000e-03 -1.6367000000e-03  2.9819000000e-03  9.1340000000e-04 -3.1273000000e-03 -2.5359000000e-03  2.3950000000e-03 -3.1900000000e-04 -4.2904000000e-03  6.8500000000e-04 -2.5122000000e-03  4.1752000000e-03 -2.7859000000e-03  2.4285000000e-03  4.0270000000e-04
+
+JOB 70
+COORDS  3.2222000000e-02 -2.3988550000e+00  6.8452200000e-01 -8.3748400000e-01 -2.7766930000e+00  5.5381900000e-01  1.3436000000e-02 -1.5776450000e+00  1.9310200000e-01  2.1370000000e-03  2.4376690000e+00 -6.5236200000e-01 -5.2846800000e-01  1.6904260000e+00 -3.7610700000e-01  8.4441100000e-01  2.0557410000e+00 -8.9921600000e-01
+ENERGY -1.526530031920e+02
+FORCES -3.7707000000e-03  1.0389000000e-03 -2.4342000000e-03  3.7352000000e-03  1.8266000000e-03  5.2240000000e-04  5.6000000000e-05 -2.5026000000e-03  1.9630000000e-03  1.5160000000e-03 -3.8221000000e-03  3.0510000000e-04  2.3877000000e-03  2.2816000000e-03 -1.4054000000e-03 -3.9242000000e-03  1.1775000000e-03  1.0491000000e-03
+
+JOB 71
+COORDS -1.0104320000e+00  2.2791810000e+00  2.7077000000e-01 -1.0789160000e+00  2.1194230000e+00  1.2120560000e+00 -1.1163890000e+00  1.4152930000e+00 -1.2760500000e-01  1.0435010000e+00 -2.1805960000e+00 -2.5300100000e-01  7.7170000000e-01 -3.0969110000e+00 -2.0082000000e-01  9.1973500000e-01 -1.9455580000e+00 -1.1726050000e+00
+ENERGY -1.526547018283e+02
+FORCES -1.4600000000e-04 -4.7015000000e-03  2.6138000000e-03 -4.9700000000e-05  1.0151000000e-03 -3.7353000000e-03 -9.6000000000e-06  3.8657000000e-03  1.0184000000e-03 -7.8310000000e-04 -3.3689000000e-03 -3.7285000000e-03  1.0032000000e-03  3.9230000000e-03 -2.0060000000e-04 -1.4700000000e-05 -7.3350000000e-04  4.0323000000e-03
+
+JOB 72
+COORDS -8.6976900000e-01 -2.2017930000e+00  7.8789200000e-01 -1.5920930000e+00 -2.5888070000e+00  2.9322000000e-01 -3.9061400000e-01 -1.6798740000e+00  1.4427500000e-01  9.2398800000e-01  2.1375450000e+00 -7.2178300000e-01  1.5869000000e-01  2.2790330000e+00 -1.2790370000e+00  1.0026090000e+00  2.9443130000e+00 -2.1268900000e-01
+ENERGY -1.526547390312e+02
+FORCES -3.5470000000e-04  9.5990000000e-04 -4.5868000000e-03  2.7799000000e-03  1.6140000000e-03  1.9606000000e-03 -2.6162000000e-03 -2.8780000000e-03  2.4952000000e-03 -2.5529000000e-03  4.5590000000e-03  2.3960000000e-04  3.0852000000e-03 -1.0457000000e-03  2.2259000000e-03 -3.4120000000e-04 -3.2091000000e-03 -2.3344000000e-03
+
+JOB 73
+COORDS -9.4875800000e-01  1.9031840000e+00 -1.1969510000e+00 -1.3320790000e+00  2.3991710000e+00 -1.9203420000e+00 -2.4640800000e-01  2.4637370000e+00 -8.6723000000e-01  9.5088700000e-01 -1.9112930000e+00  1.1705600000e+00  1.4983980000e+00 -2.3544010000e+00  1.8187260000e+00  7.3027000000e-02 -2.2637530000e+00  1.3167330000e+00
+ENERGY -1.526538607419e+02
+FORCES  1.9368000000e-03  4.0136000000e-03 -1.4125000000e-03  1.4513000000e-03 -2.0593000000e-03  2.9468000000e-03 -3.1609000000e-03 -1.8465000000e-03 -1.5042000000e-03 -1.9503000000e-03 -3.0705000000e-03  2.9203000000e-03 -2.1156000000e-03  1.9031000000e-03 -2.6567000000e-03  3.8387000000e-03  1.0595000000e-03 -2.9370000000e-04
+
+JOB 74
+COORDS  3.4622400000e-01 -6.9980600000e-01 -2.4845620000e+00  1.1013130000e+00 -7.7140200000e-01 -3.0684680000e+00 -2.9594500000e-01 -1.3102860000e+00 -2.8467290000e+00 -3.9822000000e-01  7.3271100000e-01  2.5991560000e+00 -5.2359000000e-01  3.8175700000e-01  1.7174840000e+00  4.3710200000e-01  1.1980910000e+00  2.5556760000e+00
+ENERGY -1.526552202766e+02
+FORCES  5.1680000000e-04 -2.8990000000e-03 -4.3501000000e-03 -3.1165000000e-03  2.8100000000e-04  2.4095000000e-03  2.6738000000e-03  2.5335000000e-03  1.5736000000e-03  2.9783000000e-03  3.6040000000e-04 -4.3995000000e-03  2.0850000000e-04  1.4551000000e-03  4.2517000000e-03 -3.2609000000e-03 -1.7311000000e-03  5.1480000000e-04
+
+JOB 75
+COORDS -1.3260800000e-01 -1.2693480000e+00 -2.3896160000e+00 -3.7063900000e-01 -2.1282140000e+00 -2.7387900000e+00  5.2357800000e-01 -1.4566400000e+00 -1.7183690000e+00  8.9243000000e-02  1.3211760000e+00  2.4252110000e+00  8.4909600000e-01  1.8642230000e+00  2.2155540000e+00 -2.7523000000e-01  1.0794300000e+00  1.5737710000e+00
+ENERGY -1.526545898323e+02
+FORCES  1.6604000000e-03 -4.7972000000e-03  8.6000000000e-04  1.0475000000e-03  3.5577000000e-03  1.4352000000e-03 -2.8327000000e-03  1.2472000000e-03 -2.5270000000e-03  1.2086000000e-03  1.6142000000e-03 -4.4450000000e-03 -2.9583000000e-03 -2.3719000000e-03  8.9910000000e-04  1.8744000000e-03  7.4990000000e-04  3.7777000000e-03
+
+JOB 76
+COORDS -1.2667000000e-02 -2.0448920000e+00 -1.9279730000e+00 -8.8867600000e-01 -2.3142020000e+00 -1.6517240000e+00  5.5243300000e-01 -2.7770470000e+00 -1.6813080000e+00  4.0090000000e-02  2.1125370000e+00  1.9624730000e+00 -1.1412700000e-01  1.2936670000e+00  1.4914100000e+00  3.5403000000e-02  2.7855110000e+00  1.2818000000e+00
+ENERGY -1.526547570660e+02
+FORCES -1.1490000000e-03 -4.6490000000e-03  1.6364000000e-03  3.6570000000e-03  1.4110000000e-03 -9.0630000000e-04 -2.4105000000e-03  3.1096000000e-03 -9.3470000000e-04 -4.2160000000e-04 -7.1500000000e-04 -5.0879000000e-03  3.8490000000e-04  3.3824000000e-03  2.3792000000e-03 -6.0800000000e-05 -2.5389000000e-03  2.9132000000e-03
+
+JOB 77
+COORDS -2.5914300000e-01  3.0034410000e+00 -1.1157700000e-01 -2.3354000000e-02  3.9281940000e+00 -1.8551500000e-01 -1.1697230000e+00  2.9638280000e+00 -4.0399200000e-01  2.7486000000e-01 -3.1080970000e+00  1.7168500000e-01 -1.4102300000e-01 -2.2490250000e+00  9.9099000000e-02  1.0249350000e+00 -3.0624770000e+00 -4.2122100000e-01
+ENERGY -1.526545550395e+02
+FORCES -2.7056000000e-03  4.0227000000e-03 -1.3334000000e-03 -1.0134000000e-03 -3.8001000000e-03  2.4770000000e-04  3.7815000000e-03 -8.1700000000e-05  1.1407000000e-03  1.5449000000e-03  4.0911000000e-03 -2.5537000000e-03  1.4308000000e-03 -3.8231000000e-03  1.8490000000e-04 -3.0383000000e-03 -4.0900000000e-04  2.3137000000e-03
+
+JOB 78
+COORDS  9.8337800000e-01  2.4045220000e+00 -1.6787630000e+00  1.5522420000e+00  2.1028430000e+00 -2.3870110000e+00  2.2731300000e-01  2.7865910000e+00 -2.1244330000e+00 -9.0948800000e-01 -2.4439600000e+00  1.7479560000e+00 -1.0777780000e+00 -1.5290280000e+00  1.5225440000e+00 -1.7678450000e+00 -2.7942120000e+00  1.9862380000e+00
+ENERGY -1.526543202234e+02
+FORCES -4.5000000000e-04  3.4260000000e-04 -4.8622000000e-03 -2.4086000000e-03  1.3254000000e-03  2.8696000000e-03  2.9696000000e-03 -1.6322000000e-03  1.9356000000e-03 -3.9491000000e-03  2.6065000000e-03  2.4000000000e-06  3.9640000000e-04 -4.0103000000e-03  1.0413000000e-03  3.4417000000e-03  1.3680000000e-03 -9.8680000000e-04
+
+JOB 79
+COORDS -3.6242100000e-01 -2.3811420000e+00  2.1158870000e+00 -9.2815900000e-01 -2.7172590000e+00  2.8110120000e+00  3.5991600000e-01 -1.9564970000e+00  2.5786370000e+00  3.9010500000e-01  2.3262110000e+00 -2.2075260000e+00  5.0253500000e-01  3.2649630000e+00 -2.3569830000e+00 -3.6685800000e-01  2.2649290000e+00 -1.6248740000e+00
+ENERGY -1.526540551187e+02
+FORCES  8.6500000000e-04  2.2740000000e-04  4.6468000000e-03  2.2589000000e-03  1.4364000000e-03 -2.8521000000e-03 -3.0815000000e-03 -1.6988000000e-03 -1.7963000000e-03 -2.7822000000e-03  3.2984000000e-03  1.8016000000e-03 -4.0990000000e-04 -3.7980000000e-03  6.2600000000e-04  3.1498000000e-03  5.3470000000e-04 -2.4260000000e-03
+
+JOB 80
+COORDS -1.4695450000e+00  2.8475080000e+00 -9.8873200000e-01 -2.3500240000e+00  2.5675620000e+00 -7.3849200000e-01 -1.4440150000e+00  2.7380760000e+00 -1.9393130000e+00  1.4715940000e+00 -2.7994020000e+00  9.8900100000e-01  1.9015550000e+00 -2.3671190000e+00  1.7269020000e+00  1.8054940000e+00 -3.6962630000e+00  1.0085410000e+00
+ENERGY -1.526540566019e+02
+FORCES -3.3706000000e-03 -1.9911000000e-03 -2.8497000000e-03  3.4965000000e-03  1.3219000000e-03 -1.0107000000e-03 -1.6340000000e-04  6.3200000000e-04  3.8163000000e-03  3.1662000000e-03 -1.6413000000e-03  3.1318000000e-03 -1.7292000000e-03 -1.9424000000e-03 -2.9677000000e-03 -1.3996000000e-03  3.6209000000e-03 -1.2000000000e-04
+
+JOB 81
+COORDS -1.5956000000e-02  3.0251510000e+00  2.0216890000e+00  1.1869500000e-01  2.7722570000e+00  2.9350050000e+00  5.8740800000e-01  2.4701700000e+00  1.5275440000e+00 -1.2597000000e-02 -2.9467710000e+00 -2.1017580000e+00 -6.3665200000e-01 -2.7570990000e+00 -1.4011790000e+00  4.2508100000e-01 -3.7508000000e+00 -1.8221010000e+00
+ENERGY -1.526541030472e+02
+FORCES  3.1265000000e-03 -3.1616000000e-03  1.5961000000e-03 -5.9780000000e-04  9.6250000000e-04 -3.7203000000e-03 -2.5426000000e-03  2.2092000000e-03  2.1504000000e-03 -9.4980000000e-04 -2.6180000000e-03  3.8433000000e-03  2.7029000000e-03 -7.4030000000e-04 -2.7852000000e-03 -1.7392000000e-03  3.3481000000e-03 -1.0842000000e-03
+
+JOB 82
+COORDS -7.1792000000e-02 -3.4958980000e+00 -1.4796860000e+00  1.3756400000e-01 -2.6791980000e+00 -1.0264720000e+00 -9.3600000000e-04 -3.2794120000e+00 -2.4093870000e+00  7.4421000000e-02  3.4329700000e+00  1.5675670000e+00 -7.4496900000e-01  3.1776710000e+00  1.1437110000e+00  5.9054100000e-01  3.8356710000e+00  8.6922400000e-01
+ENERGY -1.526540047472e+02
+FORCES  1.2496000000e-03  4.1338000000e-03 -1.8359000000e-03 -9.4400000000e-04 -3.2938000000e-03 -1.9778000000e-03 -3.2860000000e-04 -8.2620000000e-04  3.7866000000e-03 -1.3227000000e-03  8.7350000000e-04 -4.4218000000e-03  3.4525000000e-03  9.0170000000e-04  1.6462000000e-03 -2.1068000000e-03 -1.7890000000e-03  2.8026000000e-03
+
+JOB 83
+COORDS  9.4515900000e-01 -3.8056580000e+00 -5.3248400000e-01  6.4859400000e-01 -4.6552370000e+00 -2.0614600000e-01  1.8976300000e-01 -3.2285470000e+00 -4.2044800000e-01 -8.3890400000e-01  3.8481820000e+00  5.4376100000e-01 -1.6682480000e+00  4.2455590000e+00  2.7822000000e-01 -8.5596800000e-01  2.9740720000e+00  1.5405200000e-01
+ENERGY -1.526539236181e+02
+FORCES -4.2131000000e-03 -1.2359000000e-03  1.8706000000e-03  1.1848000000e-03  3.5015000000e-03 -1.3612000000e-03  3.0376000000e-03 -2.2253000000e-03 -5.1850000000e-04 -3.3491000000e-03 -1.8606000000e-03 -2.7365000000e-03  3.3691000000e-03 -1.6693000000e-03  1.1064000000e-03 -2.9300000000e-05  3.4897000000e-03  1.6391000000e-03
+
+JOB 84
+COORDS  3.9080000000e-03 -3.9327380000e+00 -1.7962560000e+00  3.8253600000e-01 -3.1097310000e+00 -1.4871730000e+00  2.1198000000e-01 -3.9568120000e+00 -2.7302570000e+00 -3.9646000000e-02  3.8329430000e+00  1.8813050000e+00 -4.0657200000e-01  4.7157180000e+00  1.9293240000e+00  3.3021000000e-01  3.7743730000e+00  1.0003920000e+00
+ENERGY -1.526540064345e+02
+FORCES  2.3782000000e-03  3.2611000000e-03 -2.4418000000e-03 -1.5212000000e-03 -3.3562000000e-03 -1.3610000000e-03 -8.4870000000e-04  1.1510000000e-04  3.7904000000e-03 -5.2000000000e-05  3.4507000000e-03 -3.3153000000e-03  1.5226000000e-03 -3.6166000000e-03 -2.2320000000e-04 -1.4788000000e-03  1.4590000000e-04  3.5508000000e-03
+
+JOB 85
+COORDS -2.9735500000e-01  1.0724030000e+00  4.3898100000e+00 -1.1014940000e+00  1.1249140000e+00  3.8732480000e+00  1.6820400000e-01  3.1603800000e-01  4.0328810000e+00  3.0375100000e-01 -9.7214700000e-01 -4.3259920000e+00  1.1466380000e+00 -1.3670310000e+00 -4.5492400000e+00 -3.2261400000e-01 -1.6934610000e+00 -4.3860310000e+00
+ENERGY -1.526541424049e+02
+FORCES -1.3572000000e-03 -2.8014000000e-03 -3.7005000000e-03  3.2426000000e-03 -2.4600000000e-04  2.1854000000e-03 -1.8933000000e-03  3.0308000000e-03  1.5314000000e-03  9.2310000000e-04 -4.5253000000e-03 -1.3169000000e-03 -3.4610000000e-03  1.5944000000e-03  9.6680000000e-04  2.5459000000e-03  2.9476000000e-03  3.3390000000e-04
+
+JOB 86
+COORDS  1.1498480000e+00  2.9757660000e+00  3.3525860000e+00  5.4756800000e-01  2.6784150000e+00  2.6706230000e+00  1.6315140000e+00  3.6979070000e+00  2.9491740000e+00 -1.1387770000e+00 -2.9767890000e+00 -3.2264390000e+00 -1.0253470000e+00 -2.4309670000e+00 -4.0045420000e+00 -1.3131470000e+00 -3.8526280000e+00 -3.5710150000e+00
+ENERGY -1.526541314420e+02
+FORCES -5.2110000000e-04  1.5972000000e-03 -4.4820000000e-03  2.4675000000e-03  1.3232000000e-03  2.8162000000e-03 -1.9469000000e-03 -2.8975000000e-03  1.6604000000e-03 -2.4870000000e-04 -1.4565000000e-03 -4.5838000000e-03 -4.5910000000e-04 -2.1654000000e-03  3.2012000000e-03  7.0820000000e-04  3.5990000000e-03  1.3880000000e-03
+
+JOB 87
+COORDS  6.1199500000e-01 -4.5244590000e+00 -1.1749220000e+00  1.1919750000e+00 -4.6850170000e+00 -1.9192850000e+00  5.6869000000e-01 -3.5707430000e+00 -1.1057710000e+00 -6.0972100000e-01  4.4189120000e+00  1.2062710000e+00 -3.1750500000e-01  5.1956110000e+00  1.6833260000e+00 -1.4929570000e+00  4.6378520000e+00  9.0930200000e-01
+ENERGY -1.526542083787e+02
+FORCES  2.2003000000e-03  3.3429000000e-03 -2.6863000000e-03 -2.3632000000e-03  6.0730000000e-04  3.0055000000e-03  1.6650000000e-04 -3.9713000000e-03 -3.3670000000e-04 -2.4372000000e-03  4.1009000000e-03  8.0840000000e-04 -1.1863000000e-03 -3.1686000000e-03 -1.9682000000e-03  3.6199000000e-03 -9.1130000000e-04  1.1774000000e-03
+
+JOB 88
+COORDS  7.0330000000e-02  4.1047360000e+00  3.7096870000e+00 -9.1072000000e-02  3.1942570000e+00  3.4622810000e+00 -7.0950400000e-01  4.3615710000e+00  4.2017510000e+00 -1.8631000000e-02 -4.0256050000e+00 -3.6709910000e+00  6.9390100000e-01 -4.5207220000e+00 -4.0752050000e+00 -7.9583600000e-01 -4.2698860000e+00 -4.1734960000e+00
+ENERGY -1.526541290376e+02
+FORCES -3.8281000000e-03 -2.7257000000e-03  9.3230000000e-04  6.4680000000e-04  3.7500000000e-03  1.0617000000e-03  3.1749000000e-03 -1.0213000000e-03 -1.9841000000e-03 -2.2950000000e-04 -3.0106000000e-03 -3.7368000000e-03 -2.9196000000e-03  2.0106000000e-03  1.6575000000e-03  3.1556000000e-03  9.9700000000e-04  2.0694000000e-03
+
+JOB 89
+COORDS  1.1287520000e+00  6.3074640000e+00  1.7028990000e+00  1.1143500000e+00  7.2230920000e+00  1.9815540000e+00  1.4224410000e+00  6.3382970000e+00  7.9239000000e-01 -1.1615100000e+00 -6.4203940000e+00 -1.6648170000e+00 -1.7163340000e+00 -5.6461010000e+00 -1.7590190000e+00 -2.7451200000e-01 -6.0710200000e+00 -1.5787760000e+00
+ENERGY -1.526541069165e+02
+FORCES  1.1439000000e-03  3.8999000000e-03 -2.5520000000e-03  5.8600000000e-05 -3.7429000000e-03 -1.1467000000e-03 -1.2031000000e-03 -1.5450000000e-04  3.7040000000e-03  1.3526000000e-03  4.6039000000e-03  5.3000000000e-06  2.2595000000e-03 -3.1688000000e-03  3.6120000000e-04 -3.6115000000e-03 -1.4377000000e-03 -3.7170000000e-04
+
+JOB 0
+COORDS  1.1777420000e+00 -1.1363000000e-02  3.8540600000e-01  1.9089610000e+00  6.0591500000e-01  4.0817200000e-01  9.9809100000e-01 -2.0463000000e-01  1.3055170000e+00 -1.2297860000e+00 -1.6013000000e-02 -5.0979300000e-01 -1.8198870000e+00 -1.9293000000e-02  2.4386600000e-01 -3.5244200000e-01  3.9320000000e-03 -1.2756300000e-01
+ENERGY -1.526547947822e+02
+FORCES -1.0529600000e-02  3.5659000000e-03 -4.6774000000e-03 -3.1698000000e-03 -4.3007000000e-03  2.0043000000e-03 -2.2522000000e-03  2.5530000000e-03 -6.4913000000e-03  1.9515000000e-02  1.4984000000e-03  5.9611000000e-03  4.5039000000e-03 -2.4840000000e-04 -3.4720000000e-04 -8.0672000000e-03 -3.0682000000e-03  3.5504000000e-03
+
+JOB 1
+COORDS  9.7451300000e-01 -1.1747100000e-01 -9.3333000000e-01  8.6990700000e-01 -1.0589750000e+00 -1.0706590000e+00  4.3069000000e-01  7.5544000000e-02 -1.6963300000e-01 -8.8474800000e-01  2.0755900000e-01  8.9317300000e-01 -8.4800100000e-01 -6.9838900000e-01  1.1999940000e+00 -1.7970110000e+00  3.3614800000e-01  6.3341700000e-01
+ENERGY -1.526557385007e+02
+FORCES -1.4888900000e-02  2.1939000000e-03  1.2545800000e-02 -8.6980000000e-04  2.3394000000e-03  1.8832000000e-03  7.3092000000e-03 -4.9892000000e-03 -2.4961000000e-03  2.4881000000e-03 -1.9647000000e-03 -9.7630000000e-03  1.8577000000e-03  4.6460000000e-03 -4.9453000000e-03  4.1037000000e-03 -2.2254000000e-03  2.7755000000e-03
+
+JOB 2
+COORDS  5.5231400000e-01  9.6782400000e-01 -5.8073000000e-01  8.8340900000e-01  1.7147510000e+00 -8.2025000000e-02  1.6895500000e-01  1.3555020000e+00 -1.3674780000e+00 -5.1818000000e-01 -1.0881610000e+00  5.8700600000e-01 -1.1914440000e+00 -9.0889300000e-01  1.2433670000e+00 -3.8658100000e-01 -2.5034600000e-01  1.4318200000e-01
+ENERGY -1.526575004137e+02
+FORCES -1.9210000000e-03 -4.6564000000e-03  5.2208000000e-03 -2.5098000000e-03 -3.1292000000e-03 -3.6478000000e-03  1.1130000000e-03 -2.2331000000e-03  5.5581000000e-03  6.8564000000e-03  1.4567700000e-02 -7.4647000000e-03  2.7767000000e-03  1.9274000000e-03 -2.5253000000e-03 -6.3153000000e-03 -6.4763000000e-03  2.8588000000e-03
+
+JOB 3
+COORDS -7.2086500000e-01 -9.0147200000e-01  7.3266300000e-01 -2.0894800000e-01 -2.0683800000e-01  3.1834800000e-01 -7.4324000000e-02 -1.5648960000e+00  9.7367200000e-01  6.9092200000e-01  8.5696100000e-01 -6.8795300000e-01  5.0160000000e-01  8.8451100000e-01 -1.6258390000e+00  2.3269600000e-01  1.6164670000e+00 -3.2821500000e-01
+ENERGY -1.526584112855e+02
+FORCES  1.2426400000e-02  9.0271000000e-03 -9.9212000000e-03 -6.8984000000e-03 -2.1040000000e-04  7.4963000000e-03 -1.4119000000e-03  1.8976000000e-03 -1.1049000000e-03 -5.8640000000e-03 -4.0609000000e-03 -7.9020000000e-04  1.1654000000e-03  1.2669000000e-03  5.0505000000e-03  5.8250000000e-04 -7.9203000000e-03 -7.3050000000e-04
+
+JOB 4
+COORDS  6.2310800000e-01 -3.1818400000e-01 -1.0643700000e+00  9.1908900000e-01 -1.2225340000e+00 -1.1681860000e+00  1.3233900000e+00  2.0914800000e-01 -1.4487620000e+00 -6.6578600000e-01  3.7693200000e-01  1.1507680000e+00 -1.5139830000e+00  6.1214000000e-02  8.3913500000e-01 -4.2025000000e-02  8.4877000000e-02  4.8604500000e-01
+ENERGY -1.526591857799e+02
+FORCES -1.1150000000e-03  2.2049000000e-03  4.6751000000e-03 -1.4998000000e-03  5.3693000000e-03  8.8230000000e-04 -3.2196000000e-03 -4.0252000000e-03  2.0009000000e-03  6.2877000000e-03 -4.8644000000e-03 -1.6582400000e-02  1.8882000000e-03  2.4700000000e-04  1.1875000000e-03 -2.3414000000e-03  1.0683000000e-03  7.8366000000e-03
+
+JOB 5
+COORDS -8.4926700000e-01  1.3960200000e-01  1.0950120000e+00 -4.3756000000e-01  2.5139700000e-01  2.3813900000e-01 -1.1620100000e-01  3.7760000000e-02  1.7020320000e+00  7.6177900000e-01 -8.6447000000e-02 -1.0495400000e+00  1.3458680000e+00 -1.5559200000e-01 -1.8047160000e+00  5.3293800000e-01 -9.9183400000e-01 -8.3945000000e-01
+ENERGY -1.526576147606e+02
+FORCES  9.7062000000e-03  3.7165000000e-03 -7.3531000000e-03 -2.7406000000e-03 -7.5468000000e-03  2.7095000000e-03 -2.3927000000e-03 -1.0385000000e-03 -1.6340000000e-03 -2.3575000000e-03 -3.2790000000e-04  1.7989000000e-03 -2.2965000000e-03 -2.1300000000e-03  4.2421000000e-03  8.1100000000e-05  7.3266000000e-03  2.3660000000e-04
+
+JOB 6
+COORDS  1.2426030000e+00 -6.0197600000e-01 -1.0399300000e-01  1.1885030000e+00 -1.0747290000e+00  7.2655400000e-01  4.1269400000e-01 -1.2899500000e-01 -1.6541200000e-01 -1.1529380000e+00  5.5522200000e-01  6.7042000000e-02 -1.1208080000e+00  1.2687840000e+00 -5.7016200000e-01 -1.9434230000e+00  7.2611400000e-01  5.7905900000e-01
+ENERGY -1.526570965709e+02
+FORCES -1.5617600000e-02  4.4087000000e-03  5.4960000000e-03  8.8920000000e-04  5.6050000000e-04 -1.8036000000e-03  4.8553000000e-03  2.2493000000e-03 -5.6661000000e-03  5.5221000000e-03 -2.9847000000e-03  1.6802000000e-03  1.1889000000e-03 -4.9260000000e-03  3.8308000000e-03  3.1620000000e-03  6.9220000000e-04 -3.5373000000e-03
+
+JOB 7
+COORDS -4.0417700000e-01  1.2329270000e+00 -1.1350500000e-01 -8.6736300000e-01  1.5238610000e+00 -8.9903000000e-01 -1.0546430000e+00  1.2961020000e+00  5.8587600000e-01  5.1229400000e-01 -1.2671040000e+00  1.7081900000e-01  2.5245700000e-01 -1.9305360000e+00 -4.6837900000e-01  1.1278600000e-01 -4.5762500000e-01 -1.4756600000e-01
+ENERGY -1.526594538613e+02
+FORCES -1.3995000000e-03 -2.7132000000e-03  2.5117000000e-03  2.0598000000e-03 -3.3233000000e-03  4.2669000000e-03  3.0228000000e-03 -5.9160000000e-04 -5.0459000000e-03 -4.6810000000e-03  1.3717200000e-02 -3.2128000000e-03 -4.0370000000e-04  4.0780000000e-03  9.6640000000e-04  1.4015000000e-03 -1.1167200000e-02  5.1370000000e-04
+
+JOB 8
+COORDS -7.1106900000e-01  1.1728150000e+00 -2.3944700000e-01 -2.5825200000e-01  3.4280900000e-01 -9.0184000000e-02 -6.4729300000e-01  1.6347060000e+00  5.9650900000e-01  6.6529300000e-01 -1.1060870000e+00  2.2486500000e-01  1.6699800000e-01 -1.8918260000e+00  3.5000000000e-05  1.4465780000e+00 -1.1514960000e+00 -3.2628300000e-01
+ENERGY -1.526610025043e+02
+FORCES  8.6236000000e-03 -1.3002600000e-02  5.4737000000e-03 -5.6534000000e-03  8.0628000000e-03 -3.0535000000e-03  2.6710000000e-04 -1.6732000000e-03 -2.0660000000e-03 -1.3759000000e-03  2.1134000000e-03 -3.4216000000e-03  3.0101000000e-03  4.7774000000e-03  3.9810000000e-04 -4.8714000000e-03 -2.7780000000e-04  2.6693000000e-03
+
+JOB 9
+COORDS -3.9054100000e-01 -5.9748100000e-01 -1.2192860000e+00 -1.5065100000e-01  1.4533300000e-01 -6.6528900000e-01  2.1900900000e-01 -1.2912740000e+00 -9.6762700000e-01  3.2399000000e-01  5.7471300000e-01  1.1040960000e+00  1.1854100000e-01  1.3935580000e+00  1.5552230000e+00  7.9197300000e-01  5.2593000000e-02  1.7557210000e+00
+ENERGY -1.526570179120e+02
+FORCES  5.9210000000e-03  4.5495000000e-03  1.4266800000e-02 -2.1164000000e-03  4.9760000000e-04 -6.5268000000e-03 -1.5742000000e-03  5.1850000000e-04 -1.0964000000e-03 -1.1459000000e-03 -4.3253000000e-03 -1.9119000000e-03  1.0101000000e-03 -4.3764000000e-03 -2.2763000000e-03 -2.0946000000e-03  3.1361000000e-03 -2.4555000000e-03
+
+JOB 10
+COORDS  3.8104600000e-01  1.1366760000e+00 -5.5940800000e-01 -4.6341000000e-02  1.0104010000e+00 -1.4065360000e+00  1.7392100000e-01  2.0395670000e+00 -3.1832700000e-01 -4.1099200000e-01 -1.1821090000e+00  6.1900800000e-01  2.6437800000e-01 -1.8438070000e+00  7.6821400000e-01  2.2062000000e-02 -5.1226400000e-01  8.9855000000e-02
+ENERGY -1.526590993826e+02
+FORCES -4.7368000000e-03  3.2440000000e-04  4.0511000000e-03  2.0648000000e-03 -1.2478000000e-03  5.8010000000e-03  1.0847000000e-03 -3.2850000000e-03 -3.4035000000e-03  5.7125000000e-03  1.0564300000e-02 -3.4375000000e-03 -1.2433000000e-03  3.3001000000e-03 -1.2715000000e-03 -2.8820000000e-03 -9.6560000000e-03 -1.7395000000e-03
+
+JOB 11
+COORDS  4.4304600000e-01 -9.4003500000e-01 -9.8950800000e-01  5.4477200000e-01 -2.0273200000e-01 -3.8762100000e-01 -4.9822200000e-01 -1.1136710000e+00 -9.9938000000e-01 -3.4183500000e-01  8.5375300000e-01  9.5521200000e-01 -2.2873700000e-01  1.7952320000e+00  8.2461100000e-01 -1.2888150000e+00  7.3327300000e-01  1.0255440000e+00
+ENERGY -1.526577178107e+02
+FORCES -6.7216000000e-03  9.0891000000e-03  1.0936300000e-02  4.6844000000e-03 -2.7645000000e-03 -6.0093000000e-03  1.4671000000e-03 -5.3860000000e-04 -6.9900000000e-04 -3.5627000000e-03 -1.1841000000e-03 -2.8294000000e-03 -3.8760000000e-04 -5.4827000000e-03 -3.8380000000e-04  4.5205000000e-03  8.8090000000e-04 -1.0148000000e-03
+
+JOB 12
+COORDS  5.9354900000e-01 -1.0821620000e+00  6.3042200000e-01  3.8147600000e-01 -2.0003580000e+00  4.6257300000e-01 -1.1286200000e-01 -5.9193800000e-01  2.0983200000e-01 -4.7945700000e-01  1.0940580000e+00 -5.7307300000e-01 -8.2530200000e-01  7.4921900000e-01 -1.3963040000e+00 -1.1982880000e+00  1.6102210000e+00 -2.0825900000e-01
+ENERGY -1.526567864338e+02
+FORCES -5.1030000000e-03  9.0686000000e-03 -4.3949000000e-03 -7.7720000000e-04  4.7059000000e-03 -1.2442000000e-03  1.0516000000e-03 -1.0220900000e-02  1.6488000000e-03 -3.0880000000e-04  1.2555000000e-03 -6.5290000000e-04  1.4999000000e-03 -1.0570000000e-03  6.6726000000e-03  3.6375000000e-03 -3.7521000000e-03 -2.0294000000e-03
+
+JOB 13
+COORDS  2.2173700000e-01 -6.4585200000e-01  1.2378060000e+00  2.1317200000e-01 -1.1559000000e-01  4.4095000000e-01 -3.1255000000e-01 -1.5244800000e-01  1.8601580000e+00 -1.3618500000e-01  5.9919700000e-01 -1.1863760000e+00 -2.7420100000e-01 -4.2362000000e-02 -1.8832150000e+00 -9.4480200000e-01  1.1110820000e+00 -1.1678440000e+00
+ENERGY -1.526601477193e+02
+FORCES -2.2573000000e-03  8.1510000000e-03 -1.1515700000e-02  9.6130000000e-04 -4.2070000000e-03  9.5923000000e-03  8.8090000000e-04 -6.9290000000e-04 -2.8876000000e-03 -3.4511000000e-03 -4.2661000000e-03  1.1412000000e-03 -6.9400000000e-05  4.1290000000e-03  3.1734000000e-03  3.9356000000e-03 -3.1140000000e-03  4.9650000000e-04
+
+JOB 14
+COORDS  1.3015050000e+00  4.3732300000e-01  3.3013600000e-01  1.9719650000e+00 -1.5850300000e-01 -4.0900000000e-03  4.8032500000e-01 -4.3723000000e-02  2.2771100000e-01 -1.2515730000e+00 -3.8757100000e-01 -2.4924300000e-01 -1.5219450000e+00 -9.5351500000e-01 -9.7231700000e-01 -1.6462840000e+00  4.6140200000e-01 -4.4844200000e-01
+ENERGY -1.526607202101e+02
+FORCES -1.0825500000e-02 -6.6135000000e-03 -3.2679000000e-03 -2.9940000000e-03  9.9550000000e-04  3.6940000000e-04  9.2034000000e-03  3.8937000000e-03  2.5953000000e-03  2.0941000000e-03  3.6149000000e-03 -3.2168000000e-03  1.0366000000e-03  3.3019000000e-03  3.0780000000e-03  1.4855000000e-03 -5.1926000000e-03  4.4190000000e-04
+
+JOB 15
+COORDS  1.8906800000e-01  1.1914350000e+00 -7.5069500000e-01 -1.8243200000e-01  1.0880140000e+00 -1.6267800000e+00  1.2712100000e-01  3.2008600000e-01 -3.5935700000e-01 -1.7214100000e-01 -1.0760010000e+00  7.3541200000e-01  6.0825600000e-01 -1.6245040000e+00  8.1513900000e-01 -7.6960200000e-01 -1.4099890000e+00  1.4045340000e+00
+ENERGY -1.526599955230e+02
+FORCES -3.6985000000e-03 -1.0426800000e-02  5.3815000000e-03  8.5560000000e-04 -6.6580000000e-04  2.9640000000e-03  4.3738000000e-03  5.2761000000e-03 -6.2276000000e-03 -1.3446000000e-03  3.3872000000e-03  1.0890000000e-03 -4.3008000000e-03  3.0409000000e-03 -6.3020000000e-04  4.1145000000e-03 -6.1160000000e-04 -2.5766000000e-03
+
+JOB 16
+COORDS  1.8501600000e-01 -7.6777800000e-01 -1.1405010000e+00 -6.7415600000e-01 -1.1550440000e+00 -9.7293000000e-01  7.9260800000e-01 -1.3006180000e+00 -6.2752400000e-01 -1.7191600000e-01  8.0002000000e-01  1.1619790000e+00 -7.6156000000e-02  2.8855400000e-01  3.5857100000e-01 -2.6025800000e-01  1.7045430000e+00  8.6153700000e-01
+ENERGY -1.526595721545e+02
+FORCES -1.6770000000e-04 -4.6755000000e-03  1.5166000000e-03  5.4289000000e-03  4.8503000000e-03  1.7219000000e-03 -4.8949000000e-03  5.3068000000e-03 -9.7300000000e-04  2.2486000000e-03 -2.7746000000e-03 -1.3110700000e-02 -2.6268000000e-03  1.7970000000e-04  1.0221000000e-02  1.1800000000e-05 -2.8867000000e-03  6.2420000000e-04
+
+JOB 17
+COORDS -4.2704400000e-01  1.1136390000e+00 -6.4392800000e-01  2.0039700000e-01  1.8320380000e+00 -7.2425500000e-01 -1.1177170000e+00  1.4602610000e+00 -7.9078000000e-02  4.6360100000e-01 -1.1306430000e+00  6.5710100000e-01  4.8863200000e-01 -2.0874120000e+00  6.7123300000e-01 -1.6033100000e-01 -9.1711900000e-01 -3.6692000000e-02
+ENERGY -1.526573127634e+02
+FORCES  4.4619000000e-03  1.7768000000e-03  5.0582000000e-03 -3.7312000000e-03 -1.5408000000e-03  1.0400000000e-05  2.6357000000e-03 -2.1282000000e-03 -2.8035000000e-03 -3.0565000000e-03  4.3743000000e-03 -5.5570000000e-03 -8.3210000000e-04  4.5601000000e-03 -1.2901000000e-03  5.2220000000e-04 -7.0422000000e-03  4.5820000000e-03
+
+JOB 18
+COORDS  2.1390400000e-01 -1.2983200000e+00 -2.4431300000e-01 -1.2353100000e-01 -1.9587890000e+00 -8.4941700000e-01  1.1656320000e+00 -1.3699870000e+00 -3.1718900000e-01 -2.2142000000e-01  1.3566610000e+00  3.4263800000e-01 -6.8699000000e-02  5.5768100000e-01 -1.6188100000e-01 -8.3886700000e-01  1.8607890000e+00 -1.8731200000e-01
+ENERGY -1.526593828317e+02
+FORCES  9.7380000000e-04 -1.1957000000e-03 -1.1200000000e-04  2.2839000000e-03  3.2451000000e-03  2.9396000000e-03 -5.7674000000e-03  1.4606000000e-03 -6.8040000000e-04 -7.8590000000e-04 -1.0762800000e-02 -3.9040000000e-03  1.5869000000e-03  1.0151000000e-02  7.7310000000e-04  1.7088000000e-03 -2.8982000000e-03  9.8370000000e-04
+
+JOB 19
+COORDS -1.3005680000e+00  1.6466400000e-01  6.2547700000e-01 -1.4365140000e+00 -5.0250700000e-01 -4.7303000000e-02 -3.8024700000e-01  4.1200400000e-01  5.3567500000e-01  1.2023970000e+00 -1.7545400000e-01 -6.1490100000e-01  1.8888680000e+00  3.1027600000e-01 -1.0721270000e+00  1.4408450000e+00 -1.1463200000e-01  3.1012600000e-01
+ENERGY -1.526547891538e+02
+FORCES  8.2262000000e-03 -2.6503000000e-03 -1.0405100000e-02 -2.5020000000e-03  1.2812000000e-03  3.2549000000e-03  2.3448000000e-03 -4.1270000000e-04  7.4031000000e-03  2.3569000000e-03  1.3365000000e-03  1.3117000000e-03 -3.4508000000e-03 -2.5007000000e-03  2.7762000000e-03 -6.9752000000e-03  2.9459000000e-03 -4.3408000000e-03
+
+JOB 20
+COORDS  8.8897400000e-01 -5.5982600000e-01 -1.0051590000e+00  3.6006200000e-01 -8.4748000000e-01 -1.7492950000e+00  2.5046600000e-01 -3.5158700000e-01 -3.2312100000e-01 -8.2412300000e-01  5.9452500000e-01  9.4479100000e-01 -1.5032920000e+00  8.3832000000e-02  1.3854210000e+00 -8.4111000000e-02  5.8396000000e-01  1.5518350000e+00
+ENERGY -1.526600386969e+02
+FORCES -1.0131700000e-02  4.5331000000e-03  4.5540000000e-03  1.1506000000e-03  5.7060000000e-04  2.5252000000e-03  8.6533000000e-03 -5.1367000000e-03 -3.2549000000e-03  1.1800000000e-04  2.4810000000e-04  4.4280000000e-03  4.1057000000e-03  2.0922000000e-03 -2.7772000000e-03 -3.8959000000e-03 -2.3072000000e-03 -5.4752000000e-03
+
+JOB 21
+COORDS  2.6029700000e-01 -9.5003000000e-02 -1.3809490000e+00  7.1705400000e-01 -9.2412700000e-01 -1.2389700000e+00  9.5961000000e-01  5.5388700000e-01 -1.4592800000e+00 -3.0896000000e-01  1.6566300000e-01  1.4090810000e+00 -9.1719900000e-01 -5.0396000000e-01  1.7219430000e+00  1.5100000000e-04 -1.6594500000e-01  5.6604000000e-01
+ENERGY -1.526571940186e+02
+FORCES  3.9887000000e-03  2.3686000000e-03 -2.2022000000e-03 -4.1944000000e-03  5.4651000000e-03  4.4269000000e-03 -3.6166000000e-03 -4.3451000000e-03  1.1629000000e-03 -1.4490000000e-03 -1.9510000000e-03 -1.0584400000e-02  2.5417000000e-03  1.5766000000e-03 -2.0263000000e-03  2.7296000000e-03 -3.1142000000e-03  9.2230000000e-03
+
+JOB 22
+COORDS  1.1743970000e+00 -7.4166200000e-01 -1.3531500000e-01  7.9110000000e-01 -1.6172750000e+00 -1.8648200000e-01  1.5424260000e+00 -5.8955400000e-01 -1.0057460000e+00 -1.2356020000e+00  7.7687800000e-01  1.9846600000e-01 -5.4614000000e-01  1.1290200000e-01  1.9524300000e-01 -7.8445200000e-01  1.5923760000e+00 -1.9842000000e-02
+ENERGY -1.526594802746e+02
+FORCES  5.9050000000e-04 -1.4413000000e-03 -4.7500000000e-03 -2.4920000000e-04  6.5855000000e-03  4.1960000000e-04 -1.8413000000e-03 -9.2060000000e-04  4.5187000000e-03  1.3028300000e-02 -2.9001000000e-03 -1.1239000000e-03 -9.4368000000e-03  2.4140000000e-04  9.4740000000e-04 -2.0915000000e-03 -1.5650000000e-03 -1.1900000000e-05
+
+JOB 23
+COORDS -1.4836600000e-01  6.9096700000e-01  1.1963860000e+00 -1.0722480000e+00  6.2955500000e-01  1.4390840000e+00  3.0745600000e-01  1.6219500000e-01  1.8512600000e+00  1.5058500000e-01 -6.6333100000e-01 -1.3124900000e+00 -1.0830200000e-01 -3.1107000000e-02 -6.4204100000e-01  8.7523500000e-01 -1.1484660000e+00 -9.1782700000e-01
+ENERGY -1.526594539783e+02
+FORCES -6.0250000000e-04 -3.9588000000e-03  3.1917000000e-03  5.0292000000e-03 -3.4090000000e-04 -2.3566000000e-03 -2.4225000000e-03  2.3041000000e-03 -3.2840000000e-03  1.8814000000e-03  5.3284000000e-03  1.1914900000e-02 -2.1560000000e-03 -3.6760000000e-03 -8.1145000000e-03 -1.7297000000e-03  3.4310000000e-04 -1.3515000000e-03
+
+JOB 24
+COORDS -6.3021300000e-01  4.1985900000e-01  1.1924650000e+00  6.8580000000e-03 -9.6680000000e-02  1.6859840000e+00 -3.4361200000e-01  1.3261150000e+00  1.3055620000e+00  5.9279800000e-01 -4.0117300000e-01 -1.2816580000e+00  8.5646000000e-01 -1.3166100000e+00 -1.1884470000e+00  1.3369400000e-01 -1.9945000000e-01 -4.6632800000e-01
+ENERGY -1.526600146621e+02
+FORCES  3.0667000000e-03  3.7107000000e-03  3.5042000000e-03 -2.5891000000e-03  1.7699000000e-03 -5.8455000000e-03 -1.1218000000e-03 -5.3569000000e-03 -5.3350000000e-04 -6.2429000000e-03  8.3040000000e-04  8.6266000000e-03 -9.2670000000e-04  3.2349000000e-03  1.3925000000e-03  7.8138000000e-03 -4.1889000000e-03 -7.1444000000e-03
+
+JOB 25
+COORDS -9.8374000000e-02 -4.0537600000e-01 -1.3249450000e+00 -5.0174800000e-01 -1.1479710000e+00 -1.7744710000e+00 -7.0960900000e-01  3.1852400000e-01 -1.4612960000e+00  1.1432600000e-01  3.8382900000e-01  1.4037810000e+00  8.0873900000e-01  1.0276310000e+00  1.5435680000e+00  2.0303600000e-01  1.3085000000e-01  4.8488800000e-01
+ENERGY -1.526608050385e+02
+FORCES -4.3647000000e-03 -2.3201000000e-03 -7.1680000000e-04  1.1126000000e-03  4.4889000000e-03  6.9360000000e-04  4.0760000000e-03 -3.8182000000e-03  2.3758000000e-03  2.6196000000e-03 -3.4609000000e-03 -8.4882000000e-03 -2.4515000000e-03 -1.9478000000e-03 -1.7277000000e-03 -9.9200000000e-04  7.0582000000e-03  7.8633000000e-03
+
+JOB 26
+COORDS -4.5581000000e-02 -4.7586500000e-01 -1.3793200000e+00  1.7346400000e-01 -2.1413200000e-01 -4.8503500000e-01  8.0045200000e-01 -6.4461500000e-01 -1.7940290000e+00 -6.0260000000e-03  4.6422200000e-01  1.2847350000e+00 -1.2192100000e-01 -2.1031200000e-01  1.9539160000e+00 -9.1526000000e-02  1.2907870000e+00  1.7598270000e+00
+ENERGY -1.526609244303e+02
+FORCES  2.2298000000e-03  3.9200000000e-03  8.2544000000e-03  8.8300000000e-04 -5.5500000000e-03 -8.2765000000e-03 -2.3438000000e-03  8.4950000000e-04  2.3547000000e-03 -1.9534000000e-03  1.6192000000e-03  8.9410000000e-04  9.2610000000e-04  3.7454000000e-03 -3.0089000000e-03  2.5820000000e-04 -4.5841000000e-03 -2.1770000000e-04
+
+JOB 27
+COORDS -1.9699200000e-01  1.4460470000e+00  2.8850500000e-01 -1.1225490000e+00  1.5032950000e+00  5.1232000000e-02 -5.4340000000e-03  5.0822500000e-01  2.8315100000e-01  2.2572400000e-01 -1.3708950000e+00 -2.1302900000e-01 -3.6825600000e-01 -1.7140880000e+00 -8.8059100000e-01  1.0945370000e+00 -1.4332700000e+00 -6.0989800000e-01
+ENERGY -1.526608664399e+02
+FORCES -1.6815000000e-03 -1.1419200000e-02 -1.7042000000e-03  2.5402000000e-03 -1.9350000000e-04  2.6010000000e-04  2.9750000000e-04  1.0062200000e-02  1.6083000000e-03  6.2840000000e-04 -8.4470000000e-04 -5.1219000000e-03  3.1057000000e-03  1.6958000000e-03  3.0503000000e-03 -4.8903000000e-03  6.9940000000e-04  1.9073000000e-03
+
+JOB 28
+COORDS -8.3030700000e-01  1.2367740000e+00 -9.5380000000e-02 -1.4891510000e+00  9.5361000000e-01 -7.2939400000e-01 -2.0862400000e-01  5.1008700000e-01 -5.4536000000e-02  8.3909500000e-01 -1.1074270000e+00  1.4449800000e-01  1.2842750000e+00 -1.6593930000e+00 -4.9844900000e-01  2.3911100000e-01 -1.7010670000e+00  5.9598800000e-01
+ENERGY -1.526610669625e+02
+FORCES  5.4673000000e-03 -8.7299000000e-03 -2.0314000000e-03  1.8789000000e-03  3.4070000000e-04  2.0732000000e-03 -7.2749000000e-03  7.2160000000e-03  7.7850000000e-04  1.1170000000e-04 -3.7142000000e-03 -9.1480000000e-04 -2.7942000000e-03  1.5552000000e-03  3.6144000000e-03  2.6111000000e-03  3.3323000000e-03 -3.5199000000e-03
+
+JOB 29
+COORDS  9.9885700000e-01  9.6401000000e-01 -5.5394700000e-01  1.5638060000e+00  1.2250560000e+00  1.7332200000e-01  2.8197600000e-01  4.8314500000e-01 -1.4032600000e-01 -9.7933000000e-01 -9.1908300000e-01  5.4847400000e-01 -6.6970600000e-01 -1.7825500000e+00  2.7499900000e-01 -1.4539610000e+00 -5.8251600000e-01 -2.1157800000e-01
+ENERGY -1.526596216605e+02
+FORCES -3.8385000000e-03 -5.1556000000e-03  8.2296000000e-03 -1.4993000000e-03 -9.1490000000e-04 -2.4609000000e-03  1.9213000000e-03  6.1540000000e-03 -7.4797000000e-03 -1.1180000000e-03 -5.3334000000e-03 -3.8192000000e-03 -2.0484000000e-03  4.4488000000e-03  1.3600000000e-03  6.5830000000e-03  8.0110000000e-04  4.1703000000e-03
+
+JOB 30
+COORDS -7.3759500000e-01  1.1206440000e+00 -6.5480100000e-01 -6.5680500000e-01  1.8845560000e+00 -8.3711000000e-02 -3.2249300000e-01  4.1030100000e-01 -1.6558200000e-01  7.1894300000e-01 -1.0541300000e+00  5.9200900000e-01  6.7346000000e-02 -1.5163840000e+00  1.1192420000e+00  1.1584290000e+00 -1.7438940000e+00  9.4706000000e-02
+ENERGY -1.526613834524e+02
+FORCES  6.7087000000e-03 -5.3106000000e-03  5.4422000000e-03 -2.5930000000e-04 -2.8277000000e-03 -1.2365000000e-03 -7.6916000000e-03  7.1870000000e-03 -2.4650000000e-03  8.8380000000e-04 -4.7466000000e-03 -1.8101000000e-03  2.7047000000e-03  3.4027000000e-03 -3.5380000000e-03 -2.3463000000e-03  2.2953000000e-03  3.6074000000e-03
+
+JOB 31
+COORDS -1.1816610000e+00 -6.2545800000e-01  5.2973400000e-01 -8.5646400000e-01 -1.4234090000e+00  9.4657100000e-01 -1.3333270000e+00 -2.0201000000e-02  1.2556080000e+00  1.1678610000e+00  7.1654000000e-01 -5.8661800000e-01  4.8139000000e-01  8.2539000000e-02 -3.7917400000e-01  1.9115110000e+00  1.8236500000e-01 -8.6567700000e-01
+ENERGY -1.526607200223e+02
+FORCES -1.4768000000e-03  8.5810000000e-04  6.3446000000e-03  9.2200000000e-05  4.6176000000e-03 -2.9814000000e-03  7.8090000000e-04 -3.9599000000e-03 -3.4732000000e-03 -6.3227000000e-03 -5.8249000000e-03  1.2767000000e-03  1.0228600000e-02  3.6761000000e-03 -2.8162000000e-03 -3.3022000000e-03  6.3290000000e-04  1.6495000000e-03
+
+JOB 32
+COORDS  1.2346740000e+00 -7.4007300000e-01  2.8120000000e-03  8.0539000000e-01 -1.5954090000e+00  2.1492000000e-02  1.7052340000e+00 -7.2587600000e-01 -8.3061700000e-01 -1.2340720000e+00  8.3097800000e-01 -1.5030000000e-03 -6.0437200000e-01  1.2040000000e-01  1.2011100000e-01 -1.8907650000e+00  6.8899500000e-01  6.8027900000e-01
+ENERGY -1.526585758118e+02
+FORCES  3.4222000000e-03 -1.6938000000e-03 -5.0777000000e-03 -1.0735000000e-03  6.8179000000e-03  2.2190000000e-04 -1.9055000000e-03 -1.2465000000e-03  4.4128000000e-03  6.7654000000e-03 -3.9049000000e-03  2.4427000000e-03 -1.0390300000e-02  8.4220000000e-04  2.1420000000e-04  3.1817000000e-03 -8.1490000000e-04 -2.2139000000e-03
+
+JOB 33
+COORDS  7.0039700000e-01 -1.6971000000e-01  1.2836860000e+00  2.3772600000e-01 -1.0076630000e+00  1.2851890000e+00  1.5708200000e+00 -3.7677900000e-01  9.4351400000e-01 -7.3412800000e-01  1.6255800000e-01 -1.2902220000e+00 -4.1685500000e-01  4.1049700000e-01 -4.2183500000e-01 -7.3235400000e-01  9.7971000000e-01 -1.7887110000e+00
+ENERGY -1.526610988056e+02
+FORCES  3.3929000000e-03 -6.4567000000e-03 -9.3030000000e-04  1.9277000000e-03  5.2392000000e-03 -6.8630000000e-04 -4.1693000000e-03  1.1813000000e-03  1.8056000000e-03  3.2584000000e-03  3.5589000000e-03  6.0444000000e-03 -5.2346000000e-03 -9.6360000000e-04 -8.6209000000e-03  8.2500000000e-04 -2.5591000000e-03  2.3874000000e-03
+
+JOB 34
+COORDS  3.7661700000e-01  7.5852200000e-01  1.1700610000e+00 -1.4310900000e-01  6.6510100000e-01  1.9684270000e+00  1.3410000000e-01  1.6177950000e+00  8.2500100000e-01 -3.9585300000e-01 -8.0294600000e-01 -1.1969550000e+00  2.4104700000e-01 -2.4323000000e-01 -7.5276200000e-01  1.3506700000e-01 -1.4583570000e+00 -1.6494940000e+00
+ENERGY -1.526584157021e+02
+FORCES -5.8875000000e-03  3.9480000000e-04  3.2993000000e-03  2.7761000000e-03  1.9880000000e-03 -2.5653000000e-03  1.5585000000e-03 -4.9700000000e-03  1.1790000000e-04  4.9249000000e-03  1.6223000000e-03  5.2952000000e-03 -1.9291000000e-03 -1.5490000000e-03 -8.5166000000e-03 -1.4429000000e-03  2.5139000000e-03  2.3695000000e-03
+
+JOB 35
+COORDS -3.0897900000e-01  1.3317800000e+00 -4.0947600000e-01  6.6786000000e-02  1.9459340000e+00 -1.0402270000e+00 -3.8000200000e-01  1.8345510000e+00  4.0194800000e-01  3.3251900000e-01 -1.4389760000e+00  3.6154200000e-01 -4.8478000000e-02 -6.1625600000e-01  5.4611000000e-02  3.0783000000e-02 -1.5203920000e+00  1.2662840000e+00
+ENERGY -1.526603041721e+02
+FORCES  3.1684000000e-03  3.8223000000e-03 -5.2600000000e-04 -2.1880000000e-03 -1.3555000000e-03  3.7039000000e-03  2.8120000000e-04 -2.8156000000e-03 -3.6827000000e-03 -3.1207000000e-03  8.1425000000e-03 -9.7670000000e-04  9.2430000000e-04 -9.0021000000e-03  4.1931000000e-03  9.3490000000e-04  1.2083000000e-03 -2.7116000000e-03
+
+JOB 36
+COORDS -1.1317900000e+00  1.2475700000e-01 -9.3372700000e-01 -4.5320200000e-01  2.9086300000e-01 -1.5880660000e+00 -1.7812540000e+00  8.1216800000e-01 -1.0816920000e+00  1.1874070000e+00 -1.3819900000e-01  9.9871600000e-01  4.7393200000e-01  1.0423200000e-01  4.0845200000e-01  9.7456800000e-01 -1.0281490000e+00  1.2796420000e+00
+ENERGY -1.526603219209e+02
+FORCES -2.8663000000e-03  3.3335000000e-03 -4.5243000000e-03 -2.3599000000e-03 -3.5270000000e-04  6.1964000000e-03  3.3366000000e-03 -3.3867000000e-03 -1.5420000000e-04 -8.7762000000e-03 -2.3243000000e-03 -2.6149000000e-03  9.1671000000e-03  4.9700000000e-05  1.6723000000e-03  1.4987000000e-03  2.6806000000e-03 -5.7540000000e-04
+
+JOB 37
+COORDS -1.5082200000e-01  1.3271720000e+00  8.1889700000e-01  1.4762100000e-01  1.6795850000e+00 -1.9535000000e-02 -2.1998000000e-01  3.8387800000e-01  6.7177200000e-01  1.3912600000e-01 -1.2300140000e+00 -7.8349900000e-01  8.3523700000e-01 -1.7683510000e+00 -4.0686400000e-01 -6.2968700000e-01 -1.8002280000e+00 -7.8749100000e-01
+ENERGY -1.526600771803e+02
+FORCES  1.6274000000e-03 -6.8502000000e-03 -8.2859000000e-03 -7.5980000000e-04  1.0695000000e-03  3.2916000000e-03 -1.3185000000e-03  5.1015000000e-03  6.2145000000e-03  6.1840000000e-04 -5.6079000000e-03 -1.1905000000e-03 -4.1018000000e-03  3.0434000000e-03 -1.1423000000e-03  3.9342000000e-03  3.2437000000e-03  1.1127000000e-03
+
+JOB 38
+COORDS -4.6478700000e-01 -1.5510100000e-01  1.4777280000e+00 -8.6615800000e-01 -1.0240030000e+00  1.4658290000e+00 -1.8143200000e-01 -9.2560000000e-03  5.7513700000e-01  4.3161000000e-01  2.0613700000e-01 -1.3579500000e+00  4.0586700000e-01 -4.7607500000e-01 -2.0288850000e+00  1.1082020000e+00  8.1288300000e-01 -1.6584730000e+00
+ENERGY -1.526612357900e+02
+FORCES  1.4244000000e-03 -1.3900000000e-03 -8.7278000000e-03  1.2227000000e-03  2.4266000000e-03 -1.5390000000e-04 -2.9348000000e-03 -1.0289000000e-03  9.4420000000e-03  2.8354000000e-03 -1.8000000000e-05 -3.5669000000e-03  5.6410000000e-04  3.4087000000e-03  2.6974000000e-03 -3.1118000000e-03 -3.3984000000e-03  3.0930000000e-04
+
+JOB 39
+COORDS -1.9055300000e-01  1.4331030000e+00  1.8033500000e-01  3.1158200000e-01  2.0968610000e+00  6.5311100000e-01 -1.1019430000e+00  1.6110930000e+00  4.1254300000e-01  2.2266600000e-01 -1.5212820000e+00 -1.6319300000e-01  3.4117600000e-01 -5.7192500000e-01 -1.9333700000e-01  1.1287000000e-02 -1.7654760000e+00 -1.0642590000e+00
+ENERGY -1.526611971413e+02
+FORCES -2.8539000000e-03  2.8918000000e-03  3.7437000000e-03 -2.9102000000e-03 -2.6860000000e-03 -1.9515000000e-03  4.4243000000e-03  5.9350000000e-04 -1.0536000000e-03 -6.5400000000e-04  7.7056000000e-03 -2.1026000000e-03  1.6822000000e-03 -9.5808000000e-03 -1.5965000000e-03  3.1160000000e-04  1.0760000000e-03  2.9605000000e-03
+
+JOB 40
+COORDS -5.8255300000e-01  1.3289500000e+00  3.6328100000e-01 -1.0984360000e+00  8.1843600000e-01 -2.6079600000e-01 -1.2062170000e+00  1.9507970000e+00  7.3822200000e-01  6.9143000000e-01 -1.3858270000e+00 -3.6491900000e-01  7.2808600000e-01 -4.7457800000e-01 -6.5563300000e-01 -6.7083000000e-02 -1.4214840000e+00  2.1784900000e-01
+ENERGY -1.526555081230e+02
+FORCES -4.9513000000e-03  2.5148000000e-03 -2.3100000000e-04  4.8247000000e-03  4.1990000000e-04  3.1141000000e-03  2.3865000000e-03 -3.3737000000e-03 -1.6891000000e-03 -1.1724000000e-03  6.3431000000e-03  4.7412000000e-03 -2.2509000000e-03 -4.8531000000e-03 -1.9668000000e-03  1.1634000000e-03 -1.0510000000e-03 -3.9683000000e-03
+
+JOB 41
+COORDS  2.2415000000e-01 -8.8256500000e-01  1.2238550000e+00 -7.3280600000e-01 -8.6291400000e-01  1.2328960000e+00  4.8021600000e-01 -4.8556100000e-01  2.0563500000e+00 -1.7914100000e-01  8.3699600000e-01 -1.3334960000e+00  3.9919300000e-01  5.5075300000e-01 -6.2651200000e-01 -7.6040900000e-01  1.4775610000e+00 -9.2357400000e-01
+ENERGY -1.526583810053e+02
+FORCES -4.5480000000e-03 -1.4306000000e-03  4.1398000000e-03  4.8835000000e-03  9.8670000000e-04  7.9480000000e-04 -1.3957000000e-03 -7.4900000000e-04 -4.7429000000e-03  1.8551000000e-03 -1.2363000000e-03  7.1012000000e-03 -2.2020000000e-03  5.1106000000e-03 -6.1673000000e-03  1.4072000000e-03 -2.6814000000e-03 -1.1256000000e-03
+
+JOB 42
+COORDS  1.2799600000e+00  7.8465800000e-01  5.0224400000e-01  6.7341700000e-01  1.4668120000e+00  2.1414000000e-01  9.7755700000e-01  5.4950600000e-01  1.3794480000e+00 -1.2737260000e+00 -7.8614400000e-01 -5.0319300000e-01 -3.4822700000e-01 -8.8545000000e-01 -2.7998600000e-01 -1.3443250000e+00 -1.1313180000e+00 -1.3931950000e+00
+ENERGY -1.526591244362e+02
+FORCES -4.1483000000e-03  5.0614000000e-03  2.8716000000e-03  3.8523000000e-03 -2.9015000000e-03  1.4511000000e-03  1.1693000000e-03 -4.6860000000e-04 -4.7999000000e-03  5.7971000000e-03 -1.2643000000e-03 -2.3780000000e-03 -7.1953000000e-03 -2.0024000000e-03 -4.3090000000e-04  5.2480000000e-04  1.5754000000e-03  3.2861000000e-03
+
+JOB 43
+COORDS -1.3937640000e+00 -3.8198100000e-01 -7.6445000000e-01 -1.1171570000e+00  2.3812200000e-01 -1.4391290000e+00 -7.0545900000e-01 -3.3736300000e-01 -1.0076600000e-01  1.3253740000e+00  3.8636600000e-01  7.1448500000e-01  8.7450600000e-01  4.0687200000e-01  1.5586000000e+00  1.8450740000e+00 -4.1707700000e-01  7.3945200000e-01
+ENERGY -1.526588710704e+02
+FORCES  8.1542000000e-03  4.6080000000e-03  4.6650000000e-04 -2.3674000000e-03 -2.4050000000e-03  1.2527000000e-03 -7.0918000000e-03 -3.0084000000e-03 -3.7270000000e-04  4.4880000000e-03 -1.5652000000e-03  4.7118000000e-03  3.6350000000e-04 -1.4324000000e-03 -5.9343000000e-03 -3.5464000000e-03  3.8030000000e-03 -1.2400000000e-04
+
+JOB 44
+COORDS -3.1057000000e-01 -1.5835850000e+00  3.1361800000e-01 -6.8829800000e-01 -9.0267300000e-01 -2.4307900000e-01 -4.8358800000e-01 -1.2865500000e+00  1.2069650000e+00  4.1217300000e-01  1.5292770000e+00 -3.4586400000e-01 -3.0206000000e-02  1.6602080000e+00  4.9281900000e-01 -2.9040500000e-01  1.3017200000e+00 -9.5482600000e-01
+ENERGY -1.526509856020e+02
+FORCES  5.7050000000e-04  6.4282000000e-03  1.2144000000e-03 -1.2100000000e-03 -2.1003000000e-03  9.9790000000e-04  5.2400000000e-05 -1.1114000000e-03 -3.3608000000e-03 -3.2222000000e-03  2.4830000000e-04  1.0254000000e-03  1.3603000000e-03 -1.7328000000e-03 -3.7114000000e-03  2.4490000000e-03 -1.7321000000e-03  3.8345000000e-03
+
+JOB 45
+COORDS  6.7276000000e-02  1.6055170000e+00 -7.6209000000e-02  5.5770700000e-01  1.7227560000e+00 -8.8982100000e-01 -8.3619900000e-01  1.4638740000e+00 -3.5887700000e-01 -2.1099000000e-02 -1.5761450000e+00  2.0236400000e-01 -4.8875000000e-01 -1.1476330000e+00 -5.1451200000e-01  6.0020000000e-02 -2.4885310000e+00 -7.5492000000e-02
+ENERGY -1.526516543297e+02
+FORCES -6.1840000000e-04  3.0510000000e-04 -2.9800000000e-03 -2.6137000000e-03 -9.3730000000e-04  3.2150000000e-03  4.1016000000e-03 -1.1722000000e-03  3.9020000000e-04 -1.3106000000e-03 -2.5910000000e-04 -3.7731000000e-03  3.2570000000e-04 -2.3824000000e-03  1.9612000000e-03  1.1540000000e-04  4.4458000000e-03  1.1867000000e-03
+
+JOB 46
+COORDS  9.9506100000e-01 -9.7625400000e-01  7.8960300000e-01  9.7893100000e-01 -1.0113250000e+00  1.7460240000e+00  1.9651900000e-01 -1.4295910000e+00  5.1932900000e-01 -9.5173000000e-01  1.0664570000e+00 -8.4813200000e-01 -1.5509910000e+00  3.3419700000e-01 -9.9274500000e-01 -1.9378800000e-01  6.7427000000e-01 -4.1460500000e-01
+ENERGY -1.526574672110e+02
+FORCES -1.5257000000e-03 -4.2715000000e-03  5.5044000000e-03 -6.6600000000e-05 -3.5400000000e-04 -4.6674000000e-03  2.7838000000e-03  4.7663000000e-03 -9.4300000000e-05  3.3543000000e-03 -4.4262000000e-03  2.1546000000e-03  2.5136000000e-03  1.8333000000e-03  1.2450000000e-03 -7.0594000000e-03  2.4521000000e-03 -4.1423000000e-03
+
+JOB 47
+COORDS -6.0848600000e-01 -3.8288200000e-01  1.5199300000e+00 -1.0514320000e+00 -1.2294220000e+00  1.5782380000e+00 -3.2250800000e-01 -3.2394800000e-01  6.0835200000e-01  6.2799800000e-01  4.4930500000e-01 -1.4104430000e+00  1.1181070000e+00  6.4533600000e-01 -2.2089400000e+00 -4.3914000000e-02 -1.7335800000e-01 -1.6880340000e+00
+ENERGY -1.526557207298e+02
+FORCES  1.6134000000e-03 -1.3452000000e-03 -3.7662000000e-03  1.7005000000e-03  3.3542000000e-03 -1.0344000000e-03 -5.0561000000e-03 -3.3926000000e-03  3.9173000000e-03  1.5194000000e-03  3.5230000000e-04 -6.7672000000e-03 -2.6766000000e-03 -1.0151000000e-03  2.9298000000e-03  2.8993000000e-03  2.0464000000e-03  4.7208000000e-03
+
+JOB 48
+COORDS -7.8658300000e-01  9.6235100000e-01  1.1490260000e+00 -2.8874100000e-01  2.8900600000e-01  6.8535400000e-01 -1.6794600000e+00  6.1917600000e-01  1.1841350000e+00  7.7636400000e-01 -9.3864600000e-01 -1.0741570000e+00  1.4814330000e+00 -2.9474000000e-01 -1.0071090000e+00  6.6395900000e-01 -1.0743510000e+00 -2.0149970000e+00
+ENERGY -1.526591708569e+02
+FORCES -1.2620000000e-03 -6.2234000000e-03 -3.7406000000e-03 -1.1737000000e-03  5.8990000000e-03  5.3015000000e-03  2.7412000000e-03  1.6439000000e-03  2.1680000000e-04  2.7995000000e-03  1.0829000000e-03 -6.4548000000e-03 -4.4275000000e-03 -2.7845000000e-03  7.8000000000e-04  1.3225000000e-03  3.8220000000e-04  3.8970000000e-03
+
+JOB 49
+COORDS -8.2979000000e-01  1.3295330000e+00  4.6684300000e-01 -1.7256640000e+00  1.3446410000e+00  8.0361100000e-01 -9.2469200000e-01  1.4760450000e+00 -4.7430500000e-01  8.3119200000e-01 -1.3623890000e+00 -4.6357600000e-01  9.1523700000e-01 -8.3950100000e-01  3.3376700000e-01  1.7330620000e+00 -1.5262890000e+00 -7.3925600000e-01
+ENERGY -1.526575543713e+02
+FORCES -4.7456000000e-03  1.5210000000e-04 -3.9379000000e-03  3.6089000000e-03  1.2120000000e-04 -1.3912000000e-03 -8.2000000000e-05  8.6840000000e-04  4.4147000000e-03  2.6503000000e-03  2.6843000000e-03  3.6983000000e-03  2.1660000000e-03 -4.9165000000e-03 -3.7193000000e-03 -3.5976000000e-03  1.0905000000e-03  9.3540000000e-04
+
+JOB 50
+COORDS  6.9656400000e-01 -1.1687850000e+00 -9.1912700000e-01  3.1463100000e-01 -1.8629230000e+00 -1.4562790000e+00  1.1959570000e+00 -1.6326810000e+00 -2.4708600000e-01 -6.9117000000e-01  1.2697410000e+00  8.5577400000e-01 -6.1937700000e-01  3.3228100000e-01  1.0353490000e+00 -1.0134650000e+00  1.6469050000e+00  1.6743740000e+00
+ENERGY -1.526545722818e+02
+FORCES  1.7991000000e-03 -4.9574000000e-03 -1.9241000000e-03  1.7408000000e-03  3.0484000000e-03  2.6197000000e-03 -3.4438000000e-03  2.5188000000e-03 -1.9341000000e-03 -4.2340000000e-04 -3.6060000000e-03  2.1180000000e-03 -1.2084000000e-03  4.8034000000e-03  2.5950000000e-03  1.5358000000e-03 -1.8071000000e-03 -3.4745000000e-03
+
+JOB 51
+COORDS  1.6086800000e+00 -4.7271700000e-01 -3.5415300000e-01  1.9943670000e+00 -6.2615400000e-01 -1.2166700000e+00  8.3784800000e-01 -1.0397640000e+00 -3.3163600000e-01 -1.5737950000e+00  4.6231600000e-01  3.6097800000e-01 -2.4312170000e+00  8.2384100000e-01  5.8538500000e-01 -9.5154800000e-01  9.9578000000e-01  8.5540400000e-01
+ENERGY -1.526575446968e+02
+FORCES -2.9671000000e-03 -3.0429000000e-03 -4.0444000000e-03 -1.2782000000e-03  3.7080000000e-04  3.3132000000e-03  5.4772000000e-03  1.6014000000e-03  6.1400000000e-05 -5.6420000000e-04  4.6255000000e-03  2.9394000000e-03  3.6429000000e-03 -1.1267000000e-03 -9.0860000000e-04 -4.3107000000e-03 -2.4281000000e-03 -1.3610000000e-03
+
+JOB 52
+COORDS  6.1010600000e-01  1.1628190000e+00  1.1368970000e+00  2.6001600000e-01  7.0968400000e-01  3.6986500000e-01  5.0549400000e-01  2.0925870000e+00  9.3485700000e-01 -5.7550600000e-01 -1.2455330000e+00 -1.0536240000e+00 -1.1178240000e+00 -5.1846200000e-01 -7.4786300000e-01 -2.5213500000e-01 -9.6082300000e-01 -1.9083770000e+00
+ENERGY -1.526538437632e+02
+FORCES -2.9770000000e-04  3.5040000000e-04 -3.7777000000e-03 -1.6866000000e-03  4.7926000000e-03  3.0835000000e-03  3.5800000000e-05 -4.2941000000e-03  3.2470000000e-04 -2.8736000000e-03  9.6630000000e-04 -4.1873000000e-03  6.1945000000e-03 -1.1833000000e-03 -1.8540000000e-04 -1.3723000000e-03 -6.3200000000e-04  4.7423000000e-03
+
+JOB 53
+COORDS -7.3758000000e-02  1.2819270000e+00  1.0597830000e+00 -9.9966000000e-02  1.4431520000e+00  2.0029430000e+00 -7.7736000000e-01  1.8246280000e+00  7.0390200000e-01  1.2115200000e-01 -1.3561730000e+00 -1.0426590000e+00  8.3000800000e-01 -1.2513680000e+00 -1.6773010000e+00 -6.0936600000e-01 -8.6234000000e-01 -1.4150890000e+00
+ENERGY -1.526520689798e+02
+FORCES -2.7497000000e-03  1.9731000000e-03  3.0624000000e-03  2.5090000000e-04 -5.8220000000e-04 -4.0794000000e-03  2.8785000000e-03 -2.7171000000e-03  6.0260000000e-04  2.5010000000e-04  4.5978000000e-03 -2.3371000000e-03 -2.8418000000e-03 -8.1810000000e-04  2.2479000000e-03  2.2121000000e-03 -2.4535000000e-03  5.0370000000e-04
+
+JOB 54
+COORDS  1.1451080000e+00 -1.1185670000e+00  7.6525000000e-01  8.1130400000e-01 -1.3278440000e+00 -1.0710800000e-01  3.6124000000e-01 -1.0317690000e+00  1.3076980000e+00 -1.0934800000e+00  1.1453390000e+00 -6.8541800000e-01 -1.6823410000e+00  8.7481700000e-01 -1.3898980000e+00 -2.1690100000e-01  1.0663380000e+00 -1.0617170000e+00
+ENERGY -1.526557059616e+02
+FORCES -6.5757000000e-03  5.5600000000e-05 -4.1990000000e-04  2.4344000000e-03  1.2681000000e-03  2.2273000000e-03  4.2416000000e-03 -1.6944000000e-03 -1.3755000000e-03  1.7186000000e-03  7.9010000000e-04 -4.5052000000e-03  2.9132000000e-03  3.3380000000e-04  3.2902000000e-03 -4.7321000000e-03 -7.5320000000e-04  7.8310000000e-04
+
+JOB 55
+COORDS  3.9445000000e-01 -9.3917400000e-01 -1.3723120000e+00  5.3444000000e-02 -1.4480880000e+00 -6.3681700000e-01  8.9372300000e-01 -1.5706980000e+00 -1.8901300000e+00 -3.7110800000e-01  9.4874500000e-01  1.3922190000e+00 -1.1365340000e+00  1.4360140000e+00  1.6970550000e+00 -1.2807900000e-01  1.3736680000e+00  5.6965600000e-01
+ENERGY -1.526574967310e+02
+FORCES  5.1910000000e-04 -5.0964000000e-03  1.7971000000e-03  1.7249000000e-03  1.0068000000e-03 -4.8559000000e-03 -2.1016000000e-03  2.3400000000e-03  2.2227000000e-03 -1.3538000000e-03  4.3382000000e-03 -3.0784000000e-03  3.0129000000e-03 -2.0094000000e-03 -1.2761000000e-03 -1.8015000000e-03 -5.7920000000e-04  5.1906000000e-03
+
+JOB 56
+COORDS -6.1051900000e-01  1.5246170000e+00 -8.4832600000e-01  2.1446800000e-01  1.0591920000e+00 -9.8619700000e-01 -1.1257080000e+00  9.4023500000e-01 -2.9216900000e-01  5.4900100000e-01 -1.5129780000e+00  8.1548000000e-01  9.2119600000e-01 -9.5881900000e-01  1.2946900000e-01  9.6221000000e-01 -1.2060140000e+00  1.6224890000e+00
+ENERGY -1.526537336164e+02
+FORCES -1.3870000000e-04 -4.7374000000e-03  1.8919000000e-03 -1.9888000000e-03  6.0600000000e-04  1.3628000000e-03  2.4894000000e-03  3.7765000000e-03 -2.9840000000e-03  4.7472000000e-03  2.1251000000e-03  1.6771000000e-03 -3.0344000000e-03 -4.2010000000e-04  1.9104000000e-03 -2.0747000000e-03 -1.3501000000e-03 -3.8582000000e-03
+
+JOB 57
+COORDS  6.2518800000e-01 -3.9174000000e-02  1.7425630000e+00 -2.4449000000e-02 -6.1496400000e-01  1.3392420000e+00  1.3678140000e+00 -6.1203600000e-01  1.9337920000e+00 -5.7871900000e-01  8.1961000000e-02 -1.7704660000e+00 -9.8167400000e-01  9.4999000000e-01 -1.7901080000e+00 -1.0263810000e+00 -3.7437100000e-01 -1.0580110000e+00
+ENERGY -1.526526971212e+02
+FORCES  1.7841000000e-03 -4.8617000000e-03 -1.6867000000e-03  9.6590000000e-04  2.4880000000e-03  1.0129000000e-03 -3.2436000000e-03  2.3926000000e-03 -3.4640000000e-04 -2.9764000000e-03  3.2436000000e-03  3.1646000000e-03  1.2760000000e-03 -3.9156000000e-03 -4.9560000000e-04  2.1939000000e-03  6.5320000000e-04 -1.6489000000e-03
+
+JOB 58
+COORDS -3.4557300000e-01 -1.9810600000e-01 -1.8699980000e+00 -1.1570650000e+00  2.9393100000e-01 -1.7450540000e+00 -5.6933700000e-01 -1.0960970000e+00 -1.6255110000e+00  3.7438900000e-01  1.6469800000e-01  1.8406820000e+00  4.7762900000e-01  7.1089900000e-01  2.6199360000e+00  8.2908500000e-01  6.4518800000e-01  1.1488630000e+00
+ENERGY -1.526563670785e+02
+FORCES -4.9934000000e-03 -2.6069000000e-03  1.8490000000e-03  3.5115000000e-03 -1.6146000000e-03 -8.9350000000e-04  8.9540000000e-04  3.6862000000e-03 -1.8889000000e-03  2.8714000000e-03  4.0395000000e-03 -5.0700000000e-04 -5.4260000000e-04 -2.0642000000e-03 -3.2511000000e-03 -1.7422000000e-03 -1.4399000000e-03  4.6915000000e-03
+
+JOB 59
+COORDS  2.3200200000e-01  1.0660160000e+00 -1.5137140000e+00  6.4267300000e-01  1.7464420000e+00 -9.8023400000e-01  2.5791600000e-01  1.4121660000e+00 -2.4057570000e+00 -2.3784200000e-01 -1.1087130000e+00  1.5992080000e+00 -8.4647300000e-01 -1.8009320000e+00  1.3410750000e+00  4.4761000000e-02 -7.1714300000e-01  7.7274600000e-01
+ENERGY -1.526573525587e+02
+FORCES  1.5574000000e-03  5.2261000000e-03 -3.1083000000e-03 -1.6705000000e-03 -3.5737000000e-03 -2.1473000000e-03  4.1000000000e-06 -9.6110000000e-04  3.7992000000e-03 -1.5749000000e-03 -7.7440000000e-04 -5.8801000000e-03  2.2425000000e-03  2.2434000000e-03  1.4342000000e-03 -5.5860000000e-04 -2.1603000000e-03  5.9024000000e-03
+
+JOB 60
+COORDS -1.9152760000e+00  4.6472000000e-01  2.5515400000e-01 -1.9651440000e+00 -3.9744800000e-01  6.6796300000e-01 -2.7675050000e+00  8.6404300000e-01  4.2973500000e-01  1.9194800000e+00 -4.2914100000e-01 -2.5205500000e-01  2.8461610000e+00 -3.0860700000e-01 -4.4775000000e-02  1.9155160000e+00 -7.5967800000e-01 -1.1503650000e+00
+ENERGY -1.526534348405e+02
+FORCES -2.7655000000e-03 -2.2621000000e-03  2.8725000000e-03 -7.3620000000e-04  3.5013000000e-03 -1.8668000000e-03  3.5952000000e-03 -1.4955000000e-03 -7.9970000000e-04  3.3987000000e-03 -1.1930000000e-04 -3.2751000000e-03 -3.8338000000e-03 -5.4040000000e-04 -7.5490000000e-04  3.4170000000e-04  9.1590000000e-04  3.8240000000e-03
+
+JOB 61
+COORDS -1.4020880000e+00  9.7150100000e-01 -1.1093270000e+00 -9.1913300000e-01  1.4740700000e-01 -1.0472440000e+00 -2.1225910000e+00  7.8271200000e-01 -1.7105480000e+00  1.3610940000e+00 -9.1053100000e-01  1.0997330000e+00  1.4241440000e+00 -7.0304100000e-01  2.0320440000e+00  2.2254480000e+00 -1.2522570000e+00  8.7093800000e-01
+ENERGY -1.526558991239e+02
+FORCES  8.7300000000e-05 -4.6760000000e-03 -1.2220000000e-03 -3.5207000000e-03  3.8722000000e-03 -2.0531000000e-03  2.8144000000e-03  7.5030000000e-04  2.3274000000e-03  4.1369000000e-03  8.9400000000e-05  3.8663000000e-03  1.6600000000e-04 -1.3129000000e-03 -3.7775000000e-03 -3.6839000000e-03  1.2770000000e-03  8.5890000000e-04
+
+JOB 62
+COORDS -7.3251000000e-02  1.2219360000e+00 -1.6961290000e+00  3.2791400000e-01  1.2227640000e+00 -8.2705000000e-01 -1.0107990000e+00  1.1279650000e+00 -1.5275890000e+00  6.5328000000e-02 -1.1655370000e+00  1.6588740000e+00  2.0967100000e-01 -2.0190250000e+00  2.0674760000e+00  6.0157100000e-01 -1.1851730000e+00  8.6622700000e-01
+ENERGY -1.526554389637e+02
+FORCES -3.1431000000e-03  6.7170000000e-04  4.6120000000e-03 -7.5840000000e-04 -1.1096000000e-03 -4.1608000000e-03  4.0040000000e-03  4.1790000000e-04 -1.2856000000e-03  2.8616000000e-03 -4.8589000000e-03 -1.0373000000e-03 -5.7540000000e-04  3.5113000000e-03 -1.7226000000e-03 -2.3888000000e-03  1.3676000000e-03  3.5944000000e-03
+
+JOB 63
+COORDS  5.9729100000e-01  6.8279000000e-01  1.9408230000e+00 -1.5358900000e-01  8.9633600000e-01  1.3869190000e+00  1.0342470000e+00 -3.7037000000e-02  1.4856860000e+00 -5.8884400000e-01 -7.1682900000e-01 -1.8841080000e+00 -1.5251700000e-01 -1.9542000000e-01 -2.5578910000e+00 -8.8257200000e-01 -7.5489000000e-02 -1.2370840000e+00
+ENERGY -1.526536145620e+02
+FORCES -8.6330000000e-04 -2.8476000000e-03 -3.5381000000e-03  2.7509000000e-03 -7.2040000000e-04  1.1730000000e-03 -1.9809000000e-03  3.7524000000e-03  2.1654000000e-03  1.1400000000e-05  4.7860000000e-03 -1.6980000000e-03 -1.8888000000e-03 -2.3254000000e-03  3.1476000000e-03  1.9707000000e-03 -2.6449000000e-03 -1.2499000000e-03
+
+JOB 64
+COORDS  2.8810700000e-01  7.6132500000e-01  1.8989610000e+00  1.1676350000e+00  1.0703800000e+00  1.6818270000e+00  3.5220100000e-01  4.7598600000e-01  2.8103910000e+00 -3.2596100000e-01 -7.4571400000e-01 -1.9969780000e+00 -2.9927800000e-01 -1.5984280000e+00 -1.5629280000e+00 -6.1909800000e-01 -1.3929700000e-01 -1.3168600000e+00
+ENERGY -1.526563516565e+02
+FORCES  4.2208000000e-03  5.5370000000e-04  3.7863000000e-03 -3.9008000000e-03 -1.4158000000e-03  9.4490000000e-04 -1.0330000000e-04  1.1590000000e-03 -3.8070000000e-03 -1.3505000000e-03 -6.5770000000e-04  5.6625000000e-03  8.6000000000e-06  2.8756000000e-03 -2.2492000000e-03  1.1252000000e-03 -2.5149000000e-03 -4.3375000000e-03
+
+JOB 65
+COORDS -4.6826400000e-01  1.8451290000e+00 -1.0287150000e+00  3.2202000000e-01  2.0853210000e+00 -5.4499100000e-01 -2.4187100000e-01  1.9930430000e+00 -1.9469200000e+00  3.7393300000e-01 -1.8125800000e+00  1.0631440000e+00  3.6533700000e-01 -2.3606460000e+00  2.7842600000e-01  9.8861500000e-01 -2.2483400000e+00  1.6534930000e+00
+ENERGY -1.526536466471e+02
+FORCES  4.4074000000e-03  1.0777000000e-03 -8.5860000000e-04 -3.1751000000e-03 -1.8990000000e-04 -2.4734000000e-03 -9.8590000000e-04 -7.7720000000e-04  3.5982000000e-03  1.7938000000e-03 -4.1116000000e-03 -1.2484000000e-03  3.8830000000e-04  1.9283000000e-03  3.4074000000e-03 -2.4284000000e-03  2.0727000000e-03 -2.4252000000e-03
+
+JOB 66
+COORDS  1.2214520000e+00 -1.6812130000e+00 -1.0154710000e+00  1.0203400000e+00 -1.5798640000e+00 -8.5140000000e-02  3.8032100000e-01 -1.5638370000e+00 -1.4570060000e+00 -1.1641990000e+00  1.6918740000e+00  9.2438700000e-01 -6.0207000000e-01  9.8823300000e-01  1.2486290000e+00 -1.6647360000e+00  1.9716460000e+00  1.6908220000e+00
+ENERGY -1.526536169749e+02
+FORCES -4.4278000000e-03  9.1690000000e-04  1.2524000000e-03  7.0380000000e-04  1.0700000000e-04 -3.2307000000e-03  3.7289000000e-03 -8.6660000000e-04  2.0889000000e-03  3.0890000000e-04 -8.1410000000e-04  4.8653000000e-03 -2.4527000000e-03  1.9407000000e-03 -1.6976000000e-03  2.1388000000e-03 -1.2840000000e-03 -3.2784000000e-03
+
+JOB 67
+COORDS -3.4777300000e-01  2.1954450000e+00 -6.2217200000e-01  2.3070500000e-01  1.5106610000e+00 -9.5783000000e-01 -1.0119800000e+00  2.3034770000e+00 -1.3029000000e+00  3.9784000000e-01 -2.1389310000e+00  7.0799600000e-01 -5.2552300000e-01 -2.0241740000e+00  9.3263500000e-01  3.8893600000e-01 -2.7128390000e+00 -5.8022000000e-02
+ENERGY -1.526545914186e+02
+FORCES  3.6150000000e-04 -2.5720000000e-03 -3.8424000000e-03 -2.8231000000e-03  3.4251000000e-03  7.1820000000e-04  2.5303000000e-03 -6.0300000000e-04  2.8037000000e-03 -4.0895000000e-03 -2.2296000000e-03 -1.2742000000e-03  3.9307000000e-03 -7.9360000000e-04 -1.2793000000e-03  9.0200000000e-05  2.7731000000e-03  2.8739000000e-03
+
+JOB 68
+COORDS  2.9326900000e-01 -1.6217930000e+00 -1.8021100000e+00  1.0501210000e+00 -1.3928870000e+00 -1.2626580000e+00 -4.2113300000e-01 -1.0900210000e+00 -1.4512830000e+00 -2.8316100000e-01  1.5248560000e+00  1.7057430000e+00 -7.4328200000e-01  2.3373960000e+00  1.4952650000e+00 -6.6054000000e-02  1.6056640000e+00  2.6344870000e+00
+ENERGY -1.526556602798e+02
+FORCES  9.3600000000e-05  3.6501000000e-03  4.4864000000e-03 -2.5763000000e-03 -1.4370000000e-03 -2.6594000000e-03  2.5174000000e-03 -2.5234000000e-03 -2.2859000000e-03 -1.0153000000e-03  4.0181000000e-03  3.5423000000e-03  1.8742000000e-03 -3.4835000000e-03  7.9590000000e-04 -8.9360000000e-04 -2.2430000000e-04 -3.8793000000e-03
+
+JOB 69
+COORDS -5.1012300000e-01 -2.4211840000e+00 -2.5671400000e-01  3.9148500000e-01 -2.2668740000e+00  2.5287000000e-02 -9.2655100000e-01 -1.5605350000e+00 -2.1085400000e-01  4.3967500000e-01  2.3033540000e+00  2.3459500000e-01  1.3722990000e+00  2.3428400000e+00  2.2735000000e-02  2.1282300000e-01  3.1983570000e+00  4.8706200000e-01
+ENERGY -1.526554081871e+02
+FORCES  1.8598000000e-03  4.9822000000e-03  1.4806000000e-03 -3.2753000000e-03 -1.1055000000e-03 -1.2039000000e-03  1.3704000000e-03 -4.3544000000e-03 -3.3660000000e-04  2.8318000000e-03  4.5888000000e-03  1.6780000000e-04 -3.8610000000e-03 -4.3720000000e-04  9.6120000000e-04  1.0743000000e-03 -3.6739000000e-03 -1.0691000000e-03
+
+JOB 70
+COORDS  7.8025200000e-01  6.6326000000e-01 -2.3116540000e+00  9.0182700000e-01  1.6127070000e+00 -2.3102590000e+00  6.4646000000e-01  4.3979800000e-01 -3.2327380000e+00 -7.8261600000e-01 -6.8573600000e-01  2.2955980000e+00 -1.4843000000e-02 -1.0268600000e+00  2.7542800000e+00 -1.4607920000e+00 -6.3316300000e-01  2.9690550000e+00
+ENERGY -1.526533037728e+02
+FORCES -4.4630000000e-04  2.9933000000e-03 -3.3582000000e-03 -3.1210000000e-04 -3.8435000000e-03 -1.9540000000e-04  6.2240000000e-04  8.7500000000e-04  3.7198000000e-03  6.8210000000e-04 -1.2770000000e-03  4.2626000000e-03 -3.2523000000e-03  1.4021000000e-03 -1.6306000000e-03  2.7063000000e-03 -1.4990000000e-04 -2.7982000000e-03
+
+JOB 71
+COORDS -1.3342370000e+00 -1.0701890000e+00  1.9200260000e+00 -1.7002540000e+00 -8.4341000000e-01  1.0651370000e+00 -2.0986030000e+00 -1.2296310000e+00  2.4736990000e+00  1.3687440000e+00  1.1166790000e+00 -1.9207960000e+00  2.3195460000e+00  1.0980930000e+00 -1.8118800000e+00  1.0813320000e+00  2.3855600000e-01 -1.6707430000e+00
+ENERGY -1.526543663420e+02
+FORCES -4.9450000000e-03  6.4200000000e-04 -8.8430000000e-04  1.8575000000e-03 -1.3039000000e-03  3.2500000000e-03  3.1249000000e-03  5.8890000000e-04 -2.2753000000e-03  3.0985000000e-03 -3.6667000000e-03  1.9115000000e-03 -3.8274000000e-03  1.2590000000e-04 -6.7760000000e-04  6.9150000000e-04  3.6138000000e-03 -1.3243000000e-03
+
+JOB 72
+COORDS -8.0998600000e-01 -1.6548960000e+00  1.8898300000e+00 -6.6177500000e-01 -2.5946760000e+00  1.7845730000e+00 -1.7362570000e+00 -1.5331960000e+00  1.6814020000e+00  8.7848000000e-01  1.6705740000e+00 -1.8145970000e+00  3.5884900000e-01  1.2501490000e+00 -2.4997680000e+00  9.5295400000e-01  2.5826110000e+00 -2.0954420000e+00
+ENERGY -1.526533498810e+02
+FORCES -2.9504000000e-03 -3.0379000000e-03 -1.4869000000e-03 -6.6140000000e-04  3.7868000000e-03  4.5630000000e-04  3.6627000000e-03 -6.2460000000e-04  8.9650000000e-04 -1.8207000000e-03  1.8635000000e-03 -3.6865000000e-03  2.0771000000e-03  1.7463000000e-03  2.6769000000e-03 -3.0740000000e-04 -3.7341000000e-03  1.1437000000e-03
+
+JOB 73
+COORDS  3.7895100000e-01  2.7304900000e+00  1.3294600000e-01  1.6319200000e-01  2.8732890000e+00 -7.8862200000e-01  8.9868900000e-01  1.9266890000e+00  1.3598000000e-01 -3.8538500000e-01 -2.6316040000e+00 -1.1657600000e-01 -1.1794550000e+00 -2.8819290000e+00  3.5567600000e-01  2.2502800000e-01 -3.3517360000e+00  4.1660000000e-02
+ENERGY -1.526548309395e+02
+FORCES  1.0280000000e-03 -3.3736000000e-03 -3.8111000000e-03  8.9700000000e-04 -2.4150000000e-04  3.6660000000e-03 -1.7531000000e-03  3.8374000000e-03  1.0190000000e-04 -1.0931000000e-03 -4.1591000000e-03  2.7112000000e-03  3.3398000000e-03  8.9310000000e-04 -1.9974000000e-03 -2.4187000000e-03  3.0438000000e-03 -6.7060000000e-04
+
+JOB 74
+COORDS -6.2672600000e-01  2.6201280000e+00 -2.7083800000e-01 -1.5420520000e+00  2.4317720000e+00 -4.7803600000e-01 -4.5391200000e-01  3.4624750000e+00 -6.9133600000e-01  6.5093900000e-01 -2.7226580000e+00  3.2917900000e-01  5.4381700000e-01 -1.9046810000e+00  8.1463900000e-01  1.0908080000e+00 -2.4650560000e+00 -4.8099800000e-01
+ENERGY -1.526549866636e+02
+FORCES -3.2004000000e-03  3.1046000000e-03 -2.5634000000e-03  3.8843000000e-03  6.7580000000e-04  8.5270000000e-04 -7.3610000000e-04 -3.4933000000e-03  1.6827000000e-03  1.4280000000e-03  4.8829000000e-03 -1.2717000000e-03  3.6090000000e-04 -3.8036000000e-03 -1.8290000000e-03 -1.7367000000e-03 -1.3664000000e-03  3.1287000000e-03
+
+JOB 75
+COORDS  4.2795000000e-01 -1.4748230000e+00  2.3718220000e+00  7.6480100000e-01 -7.8588600000e-01  1.7989960000e+00 -4.6605800000e-01 -1.6261650000e+00  2.0651020000e+00 -3.8097900000e-01  1.4409360000e+00 -2.3840710000e+00 -1.0173700000e+00  9.0713700000e-01 -1.9083630000e+00 -8.6277000000e-02  2.0896010000e+00 -1.7448400000e+00
+ENERGY -1.526535393877e+02
+FORCES -1.9683000000e-03  1.8068000000e-03 -3.5297000000e-03 -1.7516000000e-03 -2.5864000000e-03  2.3737000000e-03  3.6162000000e-03  9.1080000000e-04  1.1264000000e-03 -1.6475000000e-03  9.2700000000e-04  3.9595000000e-03  2.9122000000e-03  2.0065000000e-03 -1.5395000000e-03 -1.1611000000e-03 -3.0647000000e-03 -2.3905000000e-03
+
+JOB 76
+COORDS  2.2658700000e-01  2.1360930000e+00 -1.6889930000e+00  8.1237600000e-01  2.4030050000e+00 -2.3974010000e+00 -4.0747000000e-01  2.8498560000e+00 -1.6201010000e+00 -2.8693100000e-01 -2.1948940000e+00  1.6900060000e+00 -6.3119000000e-02 -2.5737240000e+00  2.5400820000e+00  5.1603000000e-01 -1.7608040000e+00  1.4018190000e+00
+ENERGY -1.526542520861e+02
+FORCES -6.1940000000e-04  4.0028000000e-03 -2.6870000000e-03 -2.2879000000e-03 -1.1232000000e-03  2.9692000000e-03  2.7480000000e-03 -2.7970000000e-03 -3.4610000000e-04  4.2459000000e-03  7.1660000000e-04  1.8576000000e-03 -9.4940000000e-04  1.4813000000e-03 -3.3838000000e-03 -3.1371000000e-03 -2.2805000000e-03  1.5902000000e-03
+
+JOB 77
+COORDS -1.8453300000e-01  2.5978570000e+00 -1.1806280000e+00  6.3924900000e-01  3.0692200000e+00 -1.0564030000e+00 -7.3781900000e-01  3.2064900000e+00 -1.6701910000e+00  1.4756600000e-01 -2.7111390000e+00  1.1642390000e+00 -3.9418200000e-01 -2.1017960000e+00  1.6656800000e+00  1.0442440000e+00 -2.4077510000e+00  1.3062130000e+00
+ENERGY -1.526541782199e+02
+FORCES  1.0042000000e-03  4.3920000000e-03 -1.8356000000e-03 -3.3383000000e-03 -1.9876000000e-03 -3.4430000000e-04  2.2971000000e-03 -2.4297000000e-03  2.0748000000e-03  1.2824000000e-03  4.2877000000e-03  2.1973000000e-03  2.2120000000e-03 -2.8044000000e-03 -1.6952000000e-03 -3.4575000000e-03 -1.4581000000e-03 -3.9690000000e-04
+
+JOB 78
+COORDS  4.5651400000e-01 -1.8169070000e+00  2.4740370000e+00 -4.9810300000e-01 -1.8257780000e+00  2.4043380000e+00  7.6380300000e-01 -1.8899200000e+00  1.5704470000e+00 -3.9998300000e-01  1.8729110000e+00 -2.4462520000e+00 -1.2906590000e+00  1.7009620000e+00 -2.1407020000e+00  9.2395000000e-02  1.0885670000e+00 -2.2041770000e+00
+ENERGY -1.526535304777e+02
+FORCES -2.5473000000e-03 -5.2360000000e-04 -3.6336000000e-03  3.9533000000e-03  1.3740000000e-04  6.4500000000e-05 -1.4171000000e-03  4.9660000000e-04  3.4803000000e-03 -1.5949000000e-03 -3.6116000000e-03  2.1683000000e-03  3.7095000000e-03  5.1980000000e-04 -1.2052000000e-03 -2.1035000000e-03  2.9814000000e-03 -8.7430000000e-04
+
+JOB 79
+COORDS -8.2502500000e-01  2.5673530000e+00 -1.5715590000e+00 -1.1184010000e+00  2.0012420000e+00 -2.2854780000e+00 -7.3807600000e-01  3.4325840000e+00 -1.9716180000e+00  8.5379900000e-01 -2.5932040000e+00  1.6997860000e+00  5.2943800000e-01 -1.7831910000e+00  1.3062110000e+00  8.7059300000e-01 -3.2210460000e+00  9.7745400000e-01
+ENERGY -1.526543902567e+02
+FORCES -9.0560000000e-04  1.6619000000e-03 -4.6061000000e-03  1.2917000000e-03  2.0772000000e-03  3.0424000000e-03 -3.8230000000e-04 -3.6038000000e-03  1.5775000000e-03 -1.2594000000e-03  1.1040000000e-03 -4.5048000000e-03  1.3337000000e-03 -3.6864000000e-03  1.6027000000e-03 -7.8000000000e-05  2.4470000000e-03  2.8882000000e-03
+
+JOB 80
+COORDS  1.1607730000e+00  2.4388640000e+00 -2.0301660000e+00  1.2535600000e+00  3.3478460000e+00 -2.3154250000e+00  1.2581250000e+00  1.9246850000e+00 -2.8316490000e+00 -1.1739120000e+00 -2.4157990000e+00  2.1382780000e+00 -4.7756400000e-01 -3.0411600000e+00  1.9376400000e+00 -1.8207060000e+00 -2.5461930000e+00  1.4448180000e+00
+ENERGY -1.526538292814e+02
+FORCES  7.7850000000e-04  1.6982000000e-03 -4.3205000000e-03 -3.7570000000e-04 -3.7340000000e-03  1.1288000000e-03 -4.2080000000e-04  2.0218000000e-03  3.2596000000e-03  3.4560000000e-04 -2.7627000000e-03 -3.8050000000e-03 -2.8814000000e-03  2.4084000000e-03  8.6570000000e-04  2.5538000000e-03  3.6830000000e-04  2.8714000000e-03
+
+JOB 81
+COORDS -1.2264260000e+00  3.2844140000e+00  1.1906330000e+00 -2.1807840000e+00  3.3579920000e+00  1.1949080000e+00 -1.0282450000e+00  2.6908030000e+00  1.9149130000e+00  1.2966630000e+00 -3.3187400000e+00 -1.2264160000e+00  1.5830090000e+00 -2.5541590000e+00 -1.7260690000e+00  5.1694800000e-01 -3.0209400000e+00 -7.5781100000e-01
+ENERGY -1.526541938587e+02
+FORCES -3.1381000000e-03 -1.8293000000e-03  3.1518000000e-03  3.9358000000e-03 -4.0540000000e-04 -6.6600000000e-05 -7.9770000000e-04  2.2780000000e-03 -3.1028000000e-03 -1.9714000000e-03  4.4416000000e-03 -2.3550000000e-04 -1.1630000000e-03 -3.2071000000e-03  2.0574000000e-03  3.1345000000e-03 -1.2778000000e-03 -1.8043000000e-03
+
+JOB 82
+COORDS -1.9084550000e+00  8.3988200000e-01  3.5023070000e+00 -1.4763280000e+00  1.2326400000e-01  3.0375940000e+00 -1.4623330000e+00  1.6289250000e+00  3.1947060000e+00  1.8316820000e+00 -7.8720100000e-01 -3.4501040000e+00  2.5050870000e+00 -9.7611900000e-01 -4.1036070000e+00  1.6948850000e+00 -1.6201510000e+00 -2.9987590000e+00
+ENERGY -1.526542014304e+02
+FORCES  3.5890000000e-03  3.8210000000e-04 -3.2877000000e-03 -1.7640000000e-03  2.8205000000e-03  1.9665000000e-03 -1.8275000000e-03 -3.2215000000e-03  1.3499000000e-03  2.2212000000e-03 -4.2027000000e-03 -1.0363000000e-03 -2.7508000000e-03  7.6520000000e-04  2.7104000000e-03  5.3210000000e-04  3.4564000000e-03 -1.7028000000e-03
+
+JOB 83
+COORDS -3.6246800000e-01  3.8880830000e+00  1.1240300000e+00  3.4937600000e-01  3.3028160000e+00  1.3828210000e+00 -2.8495300000e-01  4.6364940000e+00  1.7157250000e+00  2.9179700000e-01 -3.9540700000e+00 -1.1588940000e+00  8.7647600000e-01 -3.3780300000e+00 -6.6639000000e-01  8.1395000000e-02 -3.4611950000e+00 -1.9520120000e+00
+ENERGY -1.526540670263e+02
+FORCES  3.1415000000e-03  7.9030000000e-04  3.5755000000e-03 -2.8711000000e-03  2.2844000000e-03 -1.1524000000e-03 -2.8780000000e-04 -3.0796000000e-03 -2.4353000000e-03  1.4114000000e-03  4.4101000000e-03 -1.2781000000e-03 -2.3162000000e-03 -2.3504000000e-03 -1.9529000000e-03  9.2230000000e-04 -2.0548000000e-03  3.2431000000e-03
+
+JOB 84
+COORDS -7.2747000000e-02 -4.2475110000e+00 -1.5775190000e+00 -1.8830300000e-01 -4.5563740000e+00 -6.7891800000e-01  1.9394000000e-01 -3.3329300000e+00 -1.4845050000e+00  1.1607400000e-01  4.2373630000e+00  1.5517150000e+00 -9.1408000000e-02  4.2697420000e+00  6.1783400000e-01 -6.1818700000e-01  3.7652990000e+00  1.9444600000e+00
+ENERGY -1.526540515977e+02
+FORCES  7.2590000000e-04  2.3999000000e-03  4.0595000000e-03  4.2470000000e-04  1.2926000000e-03 -3.6757000000e-03 -1.1721000000e-03 -3.6882000000e-03 -3.9210000000e-04 -3.8937000000e-03 -1.6037000000e-03 -2.1926000000e-03  8.7170000000e-04 -2.3010000000e-04  3.8261000000e-03  3.0435000000e-03  1.8294000000e-03 -1.6251000000e-03
+
+JOB 85
+COORDS  1.4678710000e+00 -3.6868050000e+00  2.3781770000e+00  5.4744700000e-01 -3.9071070000e+00  2.5214220000e+00  1.9074560000e+00 -4.5332430000e+00  2.2973120000e+00 -1.4492500000e+00  3.8118210000e+00 -2.3640100000e+00 -1.8349290000e+00  3.3602390000e+00 -3.1147140000e+00 -8.8760600000e-01  3.1554600000e+00 -1.9517270000e+00
+ENERGY -1.526541724017e+02
+FORCES -1.9212000000e-03 -4.4053000000e-03  3.7150000000e-04  3.7460000000e-03  9.3010000000e-04 -6.5020000000e-04 -1.8104000000e-03  3.4661000000e-03  2.9500000000e-04  8.0040000000e-04 -4.5499000000e-03 -1.3217000000e-03  1.5329000000e-03  1.8509000000e-03  3.0361000000e-03 -2.3477000000e-03  2.7081000000e-03 -1.7306000000e-03
+
+JOB 86
+COORDS -4.8476200000e-01  2.7410340000e+00 -3.8186110000e+00 -2.6377800000e-01  2.5563240000e+00 -4.7314520000e+00 -1.4370700000e+00  2.8376740000e+00 -3.8170550000e+00  5.4371500000e-01 -2.7751650000e+00  3.9171780000e+00 -2.8298700000e-01 -2.2977880000e+00  3.8471320000e+00  1.0170650000e+00 -2.5543360000e+00  3.1150520000e+00
+ENERGY -1.526542077293e+02
+FORCES -2.9681000000e-03 -2.6610000000e-04 -3.8124000000e-03 -9.1060000000e-04  7.2560000000e-04  3.7507000000e-03  3.8861000000e-03 -4.4090000000e-04  4.5600000000e-05 -1.4011000000e-03  2.9316000000e-03 -3.6082000000e-03  3.3269000000e-03 -1.9858000000e-03  3.2350000000e-04 -1.9333000000e-03 -9.6440000000e-04  3.3009000000e-03
+
+JOB 87
+COORDS -1.3558350000e+00  1.1663370000e+00  4.8668330000e+00 -1.5857180000e+00  1.5618040000e+00  5.7076610000e+00 -4.7313300000e-01  1.4880660000e+00  4.6836440000e+00  1.2845060000e+00 -1.2611360000e+00 -4.9017860000e+00  9.7122800000e-01 -3.8441400000e-01 -5.1241550000e+00  2.2108860000e+00 -1.1393940000e+00 -4.6938660000e+00
+ENERGY -1.526540045004e+02
+FORCES  2.6530000000e-03  2.8838000000e-03  2.6861000000e-03  9.4310000000e-04 -1.6021000000e-03 -3.4368000000e-03 -3.5942000000e-03 -1.2875000000e-03  7.4080000000e-04  2.4491000000e-03  4.0683000000e-03 -1.4900000000e-05  1.3084000000e-03 -3.5714000000e-03  8.8360000000e-04 -3.7594000000e-03 -4.9110000000e-04 -8.5890000000e-04
+
+JOB 88
+COORDS  3.5521100000e-01  4.6683960000e+00 -2.4916450000e+00 -3.7755400000e-01  4.3240850000e+00 -1.9810220000e+00  3.8887000000e-02  4.6689750000e+00 -3.3950660000e+00 -2.9343100000e-01 -4.5969160000e+00  2.5522980000e+00  4.3437100000e-01 -5.1187120000e+00  2.2142670000e+00 -1.0745790000e+00 -5.0024900000e+00  2.1760680000e+00
+ENERGY -1.526540705101e+02
+FORCES -4.2781000000e-03 -1.4355000000e-03 -1.5369000000e-03  2.9763000000e-03  1.4333000000e-03 -2.1285000000e-03  1.2942000000e-03  2.0000000000e-06  3.6636000000e-03 -1.6460000000e-04 -3.7971000000e-03 -2.8939000000e-03 -2.9943000000e-03  2.1214000000e-03  1.3731000000e-03  3.1665000000e-03  1.6759000000e-03  1.5226000000e-03
+
+JOB 89
+COORDS  2.3223000000e-02 -4.8834680000e+00 -3.7304080000e+00 -8.2330500000e-01 -4.6096660000e+00 -4.0834740000e+00  5.7465700000e-01 -4.1039400000e+00 -3.7973990000e+00 -8.7220000000e-03  4.8158470000e+00  3.6844440000e+00 -6.3458000000e-01  4.5055740000e+00  4.3388630000e+00  6.3994200000e-01  5.3083930000e+00  4.1873010000e+00
+ENERGY -1.526541314927e+02
+FORCES -1.2009000000e-03  4.3428000000e-03 -1.6851000000e-03  3.4430000000e-03 -1.1414000000e-03  1.4260000000e-03 -2.2424000000e-03 -3.2054000000e-03  2.5240000000e-04  9.8300000000e-05  7.4160000000e-04  4.7469000000e-03  2.5480000000e-03  1.2686000000e-03 -2.6805000000e-03 -2.6460000000e-03 -2.0061000000e-03 -2.0598000000e-03
+
+JOB 0
+COORDS -2.1866500000e-01 -1.0325740000e+00  5.4475000000e-01  4.3436200000e-01 -1.4359840000e+00  1.1166300000e+00 -1.0174470000e+00 -1.0092280000e+00  1.0716590000e+00  2.0988200000e-01  1.1080110000e+00 -5.7213600000e-01  6.2563600000e-01  1.1589160000e+00 -1.4328270000e+00  1.1310400000e-01  1.7006100000e-01 -4.0746300000e-01
+ENERGY -1.526539977243e+02
+FORCES  4.0355000000e-03  2.2401200000e-02 -8.0975000000e-03 -4.3745000000e-03  1.5662000000e-03 -1.9550000000e-03  5.0566000000e-03 -1.7703000000e-03 -1.1223000000e-03 -5.0795000000e-03 -2.2109500000e-02  1.2440400000e-02 -8.6240000000e-04 -4.5668000000e-03  3.5994000000e-03  1.2244000000e-03  4.4793000000e-03 -4.8649000000e-03
+
+JOB 1
+COORDS  1.6450700000e-01  1.6624800000e-01  1.2397290000e+00 -2.4029600000e-01  6.2173100000e-01  1.9779030000e+00  5.2823200000e-01 -6.3282900000e-01  1.6210580000e+00 -2.2200600000e-01 -1.6824900000e-01 -1.3295140000e+00  1.4116000000e-02 -8.3332000000e-02 -4.0578900000e-01  5.6319300000e-01  1.0478400000e-01 -1.8040100000e+00
+ENERGY -1.526582570512e+02
+FORCES -4.7018000000e-03  2.7960000000e-04 -8.0316000000e-03  3.4074000000e-03 -3.8187000000e-03 -1.5584000000e-03 -2.1821000000e-03  4.6062000000e-03 -2.7285000000e-03  2.6439000000e-03  4.4778000000e-03  1.6029600000e-02  2.3505000000e-03 -4.8024000000e-03 -6.6944000000e-03 -1.5179000000e-03 -7.4250000000e-04  2.9833000000e-03
+
+JOB 2
+COORDS  3.5758100000e-01  9.3723600000e-01 -9.3002900000e-01  8.9640000000e-03  4.8079000000e-01 -1.6957670000e+00  1.5640000000e-01  3.5933500000e-01 -1.9396600000e-01 -2.9598400000e-01 -8.2185900000e-01  9.0082300000e-01  1.6118200000e-01 -1.6252050000e+00  1.1495530000e+00 -1.2065010000e+00 -9.7610400000e-01  1.1526180000e+00
+ENERGY -1.526585821339e+02
+FORCES -5.1548000000e-03 -1.4170000000e-02  1.1246600000e-02  4.9480000000e-04  8.4080000000e-04  1.9328000000e-03  1.3341000000e-03  5.4298000000e-03 -3.9931000000e-03  2.4657000000e-03  5.6943000000e-03 -7.2252000000e-03 -4.2643000000e-03  3.1757000000e-03 -7.2910000000e-04  5.1245000000e-03 -9.7060000000e-04 -1.2321000000e-03
+
+JOB 3
+COORDS  8.8654400000e-01  7.5579000000e-01  7.0664800000e-01  3.3254300000e-01  1.9447700000e-01  1.6420700000e-01  1.6628540000e+00  2.2536500000e-01  8.8615900000e-01 -8.9097700000e-01 -6.7398000000e-01 -6.1518900000e-01 -6.2926600000e-01 -1.4804130000e+00 -1.0594910000e+00 -1.2485320000e+00 -1.2199000000e-01 -1.3106700000e+00
+ENERGY -1.526586130021e+02
+FORCES -1.1669000000e-02 -1.1792900000e-02 -8.3740000000e-03  7.3923000000e-03  6.3672000000e-03  3.0013000000e-03 -3.0470000000e-03 -6.1400000000e-05 -1.6246000000e-03  4.8077000000e-03  3.9888000000e-03  1.0093000000e-03 -6.6160000000e-04  5.0836000000e-03  2.1795000000e-03  3.1776000000e-03 -3.5853000000e-03  3.8084000000e-03
+
+JOB 4
+COORDS -1.2168300000e-01 -7.5597700000e-01 -1.0823440000e+00  7.3186000000e-01 -1.1800300000e+00 -9.9359700000e-01  1.8300000000e-03 -1.1149400000e-01 -1.7792070000e+00  1.1198200000e-01  7.2716200000e-01  1.1702020000e+00 -5.6596100000e-01  1.4029020000e+00  1.1697730000e+00 -2.6593000000e-02  2.4766900000e-01  3.5343000000e-01
+ENERGY -1.526595771286e+02
+FORCES  4.3125000000e-03  1.7484000000e-03  1.0247000000e-03 -5.0959000000e-03  4.2757000000e-03  4.5480000000e-04 -6.1330000000e-04 -2.3093000000e-03  5.8286000000e-03 -4.8510000000e-03 -8.6115000000e-03 -1.3215500000e-02  1.8605000000e-03 -2.1738000000e-03 -1.7709000000e-03  4.3872000000e-03  7.0705000000e-03  7.6784000000e-03
+
+JOB 5
+COORDS  2.3900600000e-01  5.2776200000e-01 -1.1574390000e+00  8.9377000000e-02 -2.3553000000e-02 -1.9254850000e+00  1.0321750000e+00  1.0209590000e+00 -1.3668960000e+00 -3.3214500000e-01 -5.3660000000e-01  1.2457960000e+00  5.1222700000e-01 -4.9005300000e-01  1.6942390000e+00 -1.3044400000e-01 -3.3263600000e-01  3.3258900000e-01
+ENERGY -1.526586887633e+02
+FORCES  1.5481000000e-03 -7.5190000000e-04  4.0418000000e-03  1.4046000000e-03  2.4782000000e-03  5.1616000000e-03 -3.9707000000e-03 -3.0683000000e-03 -1.4340000000e-04  5.9652000000e-03  7.2404000000e-03 -1.3317800000e-02 -1.8921000000e-03  3.6200000000e-04 -1.5657000000e-03 -3.0552000000e-03 -6.2604000000e-03  5.8235000000e-03
+
+JOB 6
+COORDS  1.0104650000e+00  8.0753100000e-01 -2.8236400000e-01  1.2676400000e+00  5.3812100000e-01 -1.1641300000e+00  7.2878600000e-01  1.7169220000e+00 -3.8185100000e-01 -1.0737640000e+00 -8.1617700000e-01  3.3962700000e-01 -7.8145300000e-01 -1.7187260000e+00  4.6687400000e-01 -2.6858600000e-01 -3.2307000000e-01  1.8225700000e-01
+ENERGY -1.526606403713e+02
+FORCES -5.1684000000e-03  6.1490000000e-04 -2.2040000000e-03 -2.2205000000e-03  8.5880000000e-04  5.0467000000e-03  2.0642000000e-03 -4.8703000000e-03 -5.4340000000e-04  1.2499100000e-02  7.9261000000e-03 -1.6379000000e-03  7.9620000000e-04  3.2892000000e-03 -1.3875000000e-03 -7.9707000000e-03 -7.8187000000e-03  7.2600000000e-04
+
+JOB 7
+COORDS -4.2984800000e-01  5.8002800000e-01 -1.2347640000e+00 -2.5204700000e-01  1.3522240000e+00 -6.9779900000e-01 -3.2854500000e-01 -1.5840400000e-01 -6.3419100000e-01  3.5236000000e-01 -5.8045900000e-01  1.1580460000e+00  9.1880800000e-01  1.6700600000e-01  1.3495270000e+00  9.4746100000e-01 -1.3292650000e+00  1.1209480000e+00
+ENERGY -1.526573867259e+02
+FORCES  2.8358000000e-03 -4.5784000000e-03  1.4352300000e-02  7.0420000000e-04 -8.2320000000e-04 -1.5764000000e-03 -1.1808000000e-03  1.1075000000e-03 -7.9853000000e-03  4.3725000000e-03  3.1423000000e-03 -1.9040000000e-03 -3.4057000000e-03 -3.0325000000e-03 -1.7631000000e-03 -3.3259000000e-03  4.1844000000e-03 -1.1235000000e-03
+
+JOB 8
+COORDS  4.2864300000e-01  9.6866700000e-01  8.9363400000e-01  4.6710000000e-03  1.2207500000e-01  7.5306600000e-01 -9.1115000000e-02  1.3862670000e+00  1.5804340000e+00 -3.6791800000e-01 -9.4942700000e-01 -8.5554700000e-01  2.2864200000e-01 -1.2169180000e+00 -1.5546870000e+00 -1.1032560000e+00 -5.3967700000e-01 -1.3111950000e+00
+ENERGY -1.526581248057e+02
+FORCES -3.0093000000e-03 -8.4299000000e-03 -5.0047000000e-03  3.3900000000e-04  6.2231000000e-03  6.8547000000e-03  1.8190000000e-04 -2.7026000000e-03 -3.8244000000e-03  3.3477000000e-03  6.5266000000e-03 -2.0911000000e-03 -3.7148000000e-03  8.5320000000e-04  1.8763000000e-03  2.8555000000e-03 -2.4704000000e-03  2.1891000000e-03
+
+JOB 9
+COORDS  7.7236200000e-01  4.4842000000e-02  1.0515620000e+00  6.8161000000e-01 -2.7168800000e-01  1.9503420000e+00  1.7174980000e+00  8.4202000000e-02  9.0527100000e-01 -8.5331800000e-01 -8.0044000000e-02 -1.1237150000e+00 -1.8519600000e-01 -8.6389000000e-02 -4.3829200000e-01 -9.7878800000e-01  8.4665200000e-01 -1.3279770000e+00
+ENERGY -1.526601685631e+02
+FORCES -3.2438000000e-03 -2.2955000000e-03 -9.3750000000e-04  2.7417000000e-03  2.1357000000e-03 -3.8006000000e-03 -5.2997000000e-03 -3.2800000000e-04  7.4840000000e-04  7.3714000000e-03  2.8343000000e-03  1.1873000000e-02 -2.4622000000e-03  5.6000000000e-05 -8.5797000000e-03  8.9260000000e-04 -2.4025000000e-03  6.9630000000e-04
+
+JOB 10
+COORDS  4.9151900000e-01 -1.1661130000e+00 -5.0804100000e-01  5.6110500000e-01 -1.0552620000e+00 -1.4562510000e+00  1.3051060000e+00 -7.9827800000e-01 -1.6307000000e-01 -6.0500100000e-01  1.1688430000e+00  5.4299300000e-01 -3.1897500000e-01  4.4444900000e-01 -1.3491000000e-02  1.7799700000e-01  1.4179100000e+00  1.0340230000e+00
+ENERGY -1.526564867947e+02
+FORCES  3.7119000000e-03  7.1690000000e-04 -5.1170000000e-04 -1.3825000000e-03  1.7373000000e-03  6.3498000000e-03 -6.8251000000e-03  1.6471000000e-03 -1.3230000000e-03  5.6090000000e-03 -1.2226800000e-02 -3.5793000000e-03  2.2280000000e-04  1.0020600000e-02  1.3739000000e-03 -1.3361000000e-03 -1.8950000000e-03 -2.3098000000e-03
+
+JOB 11
+COORDS -1.1287210000e+00  2.8052700000e-01  6.4652800000e-01 -1.3308110000e+00 -6.9334000000e-02 -2.2122100000e-01 -1.9716240000e+00  5.8082000000e-01  9.8648500000e-01  1.2220480000e+00 -3.3080000000e-01 -6.3602800000e-01  1.3339510000e+00  5.4665300000e-01 -1.0017950000e+00  6.2075700000e-01 -2.0959600000e-01  9.8812000000e-02
+ENERGY -1.526591882715e+02
+FORCES -1.3200000000e-04 -1.0192000000e-03 -2.0675000000e-03  2.3657000000e-03  2.3929000000e-03  5.8386000000e-03  2.8867000000e-03 -1.4539000000e-03 -3.7749000000e-03 -5.0066000000e-03  6.5694000000e-03  6.9671000000e-03 -7.4910000000e-04 -3.1456000000e-03  5.4500000000e-05  6.3540000000e-04 -3.3436000000e-03 -7.0180000000e-03
+
+JOB 12
+COORDS -1.0803910000e+00 -7.1365100000e-01  5.2089400000e-01 -5.6166400000e-01 -2.8584700000e-01 -1.6038300000e-01 -1.3121810000e+00 -1.5640360000e+00  1.4759800000e-01  1.0332370000e+00  7.3876000000e-01 -3.9560500000e-01  1.0217510000e+00  1.4287450000e+00 -1.0589460000e+00  1.5661180000e+00  4.3591000000e-02 -7.8162300000e-01
+ENERGY -1.526571118186e+02
+FORCES  7.9886000000e-03  6.4041000000e-03 -4.7183000000e-03 -7.0447000000e-03 -7.5134000000e-03  1.9540000000e-04  3.0271000000e-03  3.5316000000e-03  6.2900000000e-05  2.5007000000e-03 -6.9130000000e-04  5.2000000000e-05 -9.6470000000e-04 -4.7123000000e-03  3.2865000000e-03 -5.5070000000e-03  2.9814000000e-03  1.1215000000e-03
+
+JOB 13
+COORDS  5.2682600000e-01  1.0380390000e+00 -8.2871500000e-01  1.9013900000e-01  1.6922440000e+00 -2.1643200000e-01  1.9707000000e-01  2.0404600000e-01 -4.9412700000e-01 -5.1488400000e-01 -9.6491800000e-01  7.9472900000e-01  1.8047100000e-01 -1.4536190000e+00  1.2350520000e+00 -7.9981300000e-01 -1.5400810000e+00  8.4634000000e-02
+ENERGY -1.526584391264e+02
+FORCES -6.8781000000e-03 -7.4893000000e-03  1.2084300000e-02  1.6436000000e-03 -3.6480000000e-04 -2.3443000000e-03  2.2139000000e-03  9.4260000000e-04 -8.8893000000e-03  2.5474000000e-03 -1.8049000000e-03  3.2430000000e-04 -3.8268000000e-03  2.4950000000e-03 -3.0877000000e-03  4.2999000000e-03  6.2214000000e-03  1.9126000000e-03
+
+JOB 14
+COORDS  1.1097020000e+00  4.6331600000e-01  5.9173100000e-01  1.6291980000e+00  5.0552700000e-01 -2.1112300000e-01  1.2151350000e+00  1.3266400000e+00  9.9146600000e-01 -1.1702180000e+00 -5.7185200000e-01 -5.3430700000e-01 -3.3818300000e-01 -1.1631600000e-01 -4.0609800000e-01 -1.6023780000e+00 -8.8589000000e-02 -1.2385270000e+00
+ENERGY -1.526569485137e+02
+FORCES -5.6590000000e-04  2.7620000000e-03  1.2071000000e-03 -7.6984000000e-03 -4.9820000000e-04  2.6271000000e-03  4.6920000000e-04 -4.3596000000e-03 -2.6845000000e-03  8.5792000000e-03  6.0356000000e-03  5.2840000000e-03 -3.9350000000e-03 -3.5337000000e-03 -9.1905000000e-03  3.1509000000e-03 -4.0620000000e-04  2.7567000000e-03
+
+JOB 15
+COORDS  3.2116500000e-01 -1.0290550000e+00 -9.0544500000e-01  5.1169300000e-01 -8.2412200000e-01 -1.8208320000e+00  6.3635000000e-02 -1.9133900000e-01 -5.2055300000e-01 -2.5980600000e-01  9.4747800000e-01  8.9251900000e-01 -1.0576530000e+00  1.4122230000e+00  6.4016300000e-01 -3.6407800000e-01  7.8308300000e-01  1.8297140000e+00
+ENERGY -1.526591266719e+02
+FORCES -1.0314000000e-03  8.8589000000e-03  7.3327000000e-03 -1.4700000000e-03  1.3703000000e-03  3.7436000000e-03 -4.9620000000e-04 -4.4511000000e-03 -9.5105000000e-03 -7.3220000000e-04 -4.9327000000e-03  2.7438000000e-03  4.4682000000e-03 -3.6822000000e-03 -2.9310000000e-04 -7.3830000000e-04  2.8367000000e-03 -4.0164000000e-03
+
+JOB 16
+COORDS -8.2877500000e-01  9.4143700000e-01 -6.6768500000e-01 -1.6367980000e+00  4.6844400000e-01 -8.6670500000e-01 -2.6012100000e-01  2.8578700000e-01 -2.6396800000e-01  8.1698900000e-01 -8.3702600000e-01  6.1635200000e-01  1.2805370000e+00 -1.6552920000e+00  4.3804000000e-01  8.5340300000e-01 -7.4309200000e-01  1.5682360000e+00
+ENERGY -1.526609237598e+02
+FORCES  6.1794000000e-03 -1.0186800000e-02  4.9384000000e-03  2.5419000000e-03  7.2410000000e-04  7.8040000000e-04 -5.7362000000e-03  6.4806000000e-03 -2.7285000000e-03 -1.3108000000e-03  1.3203000000e-03 -9.6010000000e-04 -2.0115000000e-03  3.4554000000e-03  2.8159000000e-03  3.3720000000e-04 -1.7936000000e-03 -4.8462000000e-03
+
+JOB 17
+COORDS -1.1622130000e+00 -7.1497400000e-01  3.6503900000e-01 -5.8386000000e-01 -4.7697000000e-02 -4.3940000000e-03 -1.8932690000e+00 -2.2047900000e-01  7.3553100000e-01  1.1543570000e+00  5.9209200000e-01 -4.0078400000e-01  1.6785970000e+00  6.5879900000e-01  3.9731000000e-01  9.0054600000e-01  1.4938710000e+00 -5.9726800000e-01
+ENERGY -1.526581747670e+02
+FORCES  8.9996000000e-03  5.9609000000e-03 -3.5699000000e-03 -1.0655000000e-02 -8.3620000000e-04  2.6641000000e-03  4.1185000000e-03  6.4400000000e-05 -1.6589000000e-03  2.3992000000e-03  6.7200000000e-05  4.5623000000e-03 -2.6653000000e-03  9.8650000000e-04 -4.5634000000e-03 -2.1970000000e-03 -6.2428000000e-03  2.5658000000e-03
+
+JOB 18
+COORDS -6.2359300000e-01 -4.6481200000e-01  1.1709580000e+00 -3.0735400000e-01 -4.4607700000e-01  2.6770100000e-01 -9.6320600000e-01 -1.3520570000e+00  1.2879730000e+00  5.7461100000e-01  4.7127300000e-01 -1.1233890000e+00  5.9440700000e-01  1.3501300000e+00 -1.5021380000e+00  1.4668290000e+00  3.2530600000e-01 -8.0894900000e-01
+ENERGY -1.526597536460e+02
+FORCES  1.9501000000e-03  2.7262000000e-03 -9.3982000000e-03 -3.7710000000e-04 -6.1614000000e-03  8.1656000000e-03  1.9884000000e-03  3.0050000000e-03 -2.1875000000e-03 -2.0440000000e-04  4.3982000000e-03  3.6510000000e-03  1.9816000000e-03 -3.9079000000e-03  1.0344000000e-03 -5.3387000000e-03 -6.0200000000e-05 -1.2653000000e-03
+
+JOB 19
+COORDS  1.1574800000e-01 -1.1565360000e+00  8.1728000000e-01 -1.5389800000e-01 -6.6092300000e-01  4.4046000000e-02 -7.0541200000e-01 -1.4001860000e+00  1.2445540000e+00 -1.3158000000e-02  1.0946780000e+00 -7.6297500000e-01 -4.1587800000e-01  1.9030350000e+00 -4.4578800000e-01 -2.3935900000e-01  1.0625440000e+00 -1.6925090000e+00
+ENERGY -1.526577997640e+02
+FORCES -2.7004000000e-03  9.4017000000e-03 -6.1356000000e-03 -7.2620000000e-04 -9.1856000000e-03  2.1937000000e-03  2.3066000000e-03  1.9903000000e-03 -1.7799000000e-03 -8.0690000000e-04  2.9163000000e-03  2.8865000000e-03  1.6226000000e-03 -3.4948000000e-03 -2.9371000000e-03  3.0420000000e-04 -1.6279000000e-03  5.7724000000e-03
+
+JOB 20
+COORDS -4.4973900000e-01 -8.4034500000e-01 -1.0582310000e+00  1.0676100000e-01 -9.3503700000e-01 -1.8312600000e+00 -7.6023000000e-02 -9.8282000000e-02 -5.8293000000e-01  3.5075300000e-01  7.7404800000e-01  1.0366710000e+00  3.7714600000e-01  1.6680210000e+00  1.3777690000e+00  1.1414840000e+00  3.6125200000e-01  1.3839110000e+00
+ENERGY -1.526600902760e+02
+FORCES  3.0767000000e-03  7.4744000000e-03  5.9505000000e-03 -7.6440000000e-04  1.1776000000e-03  3.6112000000e-03 -5.5400000000e-04 -6.6042000000e-03 -7.7204000000e-03  9.6970000000e-04 -5.2700000000e-04  1.5070000000e-03  7.7130000000e-04 -4.7250000000e-03 -9.0100000000e-04 -3.4994000000e-03  3.2042000000e-03 -2.4472000000e-03
+
+JOB 21
+COORDS -6.3889700000e-01  4.1488700000e-01  1.1133100000e+00 -1.5357580000e+00  4.3354900000e-01  1.4472620000e+00 -3.7742900000e-01  1.3349360000e+00  1.0762240000e+00  7.4048100000e-01 -4.9314800000e-01 -1.1165140000e+00  2.5547600000e-01 -5.7382600000e-01 -1.9377890000e+00  1.3852800000e-01 -4.0452000000e-02 -5.2579400000e-01
+ENERGY -1.526589610102e+02
+FORCES -1.7194000000e-03  6.0900000000e-04  1.2002000000e-03  4.6653000000e-03  9.1950000000e-04 -1.2876000000e-03 -1.7310000000e-03 -6.0577000000e-03 -2.6877000000e-03 -7.9732000000e-03  1.9552000000e-03  7.5674000000e-03  5.3830000000e-04  6.7580000000e-04  3.4053000000e-03  6.2199000000e-03  1.8983000000e-03 -8.1976000000e-03
+
+JOB 22
+COORDS  2.3306000000e-01 -1.2883100000e+00 -5.8221400000e-01  4.9710500000e-01 -4.0313300000e-01 -3.3126900000e-01 -3.3551000000e-02 -1.2086510000e+00 -1.4980760000e+00 -2.2084900000e-01  1.1856180000e+00  5.7980100000e-01  1.7848100000e-01  2.0500930000e+00  4.8258600000e-01 -7.9087000000e-01  1.2691630000e+00  1.3442140000e+00
+ENERGY -1.526585868452e+02
+FORCES -2.8325000000e-03  1.1071300000e-02  2.2621000000e-03  3.7263000000e-03 -6.1603000000e-03 -4.4742000000e-03  9.6280000000e-04  8.4300000000e-05  2.7366000000e-03 -3.0027000000e-03 -2.0432000000e-03  3.0852000000e-03 -1.7112000000e-03 -4.9129000000e-03 -1.4210000000e-04  2.8573000000e-03  1.9607000000e-03 -3.4676000000e-03
+
+JOB 23
+COORDS -1.2282490000e+00  5.8186300000e-01  1.8261100000e-01 -1.8755710000e+00  4.9129900000e-01 -5.1667800000e-01 -8.8030000000e-01  1.4669910000e+00  7.4387000000e-02  1.3004490000e+00 -6.3436800000e-01 -9.5147000000e-02  1.2338040000e+00 -8.5305200000e-01 -1.0246460000e+00  4.3220000000e-01 -3.0479500000e-01  1.3670700000e-01
+ENERGY -1.526602261090e+02
+FORCES -4.4700000000e-05  1.8996000000e-03 -3.7535000000e-03  3.6811000000e-03  1.2673000000e-03  2.9868000000e-03 -1.0404000000e-03 -6.0053000000e-03 -1.5650000000e-04 -1.2758200000e-02  3.0165000000e-03 -1.1702000000e-03  1.9360000000e-04  9.0370000000e-04  2.3232000000e-03  9.9686000000e-03 -1.0820000000e-03 -2.2980000000e-04
+
+JOB 24
+COORDS  1.1046040000e+00  8.9621000000e-01  2.0668600000e-01  5.5476200000e-01  1.7477300000e-01 -9.8984000000e-02  1.7835230000e+00  4.7413300000e-01  7.3313700000e-01 -1.0593380000e+00 -8.4867500000e-01 -1.7610400000e-01 -1.8581420000e+00 -3.7679100000e-01  5.9414000000e-02 -1.1160660000e+00 -9.5772400000e-01 -1.1253790000e+00
+ENERGY -1.526601028493e+02
+FORCES -7.6470000000e-03 -9.3398000000e-03  6.6540000000e-04  8.5403000000e-03  5.4458000000e-03 -2.6313000000e-03 -2.5449000000e-03  7.1670000000e-04 -1.7237000000e-03 -3.9155000000e-03  4.3295000000e-03  6.0620000000e-04  3.0868000000e-03 -3.4190000000e-03 -2.2550000000e-03  2.4804000000e-03  2.2667000000e-03  5.3384000000e-03
+
+JOB 25
+COORDS  1.6285000000e-01  9.8899000000e-01 -8.9164400000e-01 -1.2673100000e-01  1.8769460000e+00 -6.8209700000e-01  5.3596100000e-01  1.0593250000e+00 -1.7703210000e+00 -1.1509400000e-01 -1.0756370000e+00  9.5350000000e-01 -1.0293270000e+00 -1.3590550000e+00  9.6266000000e-01 -1.3456800000e-01 -2.1588300000e-01  5.3317300000e-01
+ENERGY -1.526591155262e+02
+FORCES  2.2222000000e-03 -2.2311000000e-03 -2.4481000000e-03  9.9350000000e-04 -5.2872000000e-03 -3.7140000000e-04 -2.3783000000e-03  2.0628000000e-03  3.6317000000e-03 -9.3470000000e-04  7.3193000000e-03 -8.4533000000e-03  2.6470000000e-03  1.4738000000e-03 -3.4370000000e-04 -2.5497000000e-03 -3.3376000000e-03  7.9848000000e-03
+
+JOB 26
+COORDS  3.6089600000e-01  7.7391700000e-01  1.0404970000e+00  3.1249100000e-01  4.8728200000e-01  1.9524890000e+00  1.1620840000e+00  1.2957130000e+00  9.9513500000e-01 -4.3781000000e-01 -7.6419200000e-01 -1.1449110000e+00 -2.2123900000e-01 -1.6755310000e+00 -9.4795800000e-01 -9.6155000000e-02 -2.6990900000e-01 -3.9980100000e-01
+ENERGY -1.526609900201e+02
+FORCES  9.0340000000e-04 -7.8340000000e-04  7.0110000000e-04  1.4413000000e-03  1.7804000000e-03 -4.3482000000e-03 -3.9728000000e-03 -3.1089000000e-03  1.1770000000e-03  4.0545000000e-03  4.7955000000e-03  1.0531000000e-02 -4.6510000000e-04  2.8440000000e-03  3.4560000000e-04 -1.9612000000e-03 -5.5276000000e-03 -8.4065000000e-03
+
+JOB 27
+COORDS -1.1860000000e-01  1.1088990000e+00 -9.5369400000e-01 -8.8376400000e-01  6.6751100000e-01 -1.3223840000e+00  2.8247700000e-01  4.5542400000e-01 -3.8068500000e-01  1.8971200000e-01 -1.0510480000e+00  8.9049900000e-01 -6.3857600000e-01 -1.5299890000e+00  9.1853300000e-01  1.9576700000e-01 -5.3471000000e-01  1.6964710000e+00
+ENERGY -1.526593411509e+02
+FORCES -3.4110000000e-04 -1.2028600000e-02  5.6413000000e-03  1.3057000000e-03  1.7833000000e-03  7.1660000000e-04  4.9360000000e-04  8.5214000000e-03 -3.1081000000e-03 -5.2083000000e-03  1.0051000000e-03  2.1629000000e-03  3.7908000000e-03  2.6064000000e-03 -1.7900000000e-05 -4.0700000000e-05 -1.8876000000e-03 -5.3947000000e-03
+
+JOB 28
+COORDS -5.8185900000e-01  1.2289480000e+00  6.2381000000e-02 -6.5912600000e-01  1.6331770000e+00  9.2659200000e-01 -4.8651300000e-01  1.9667100000e+00 -5.3998800000e-01  5.5575700000e-01 -1.3393520000e+00 -3.7448000000e-02  1.7962600000e-01 -4.9748700000e-01 -2.9439200000e-01  1.4096170000e+00 -1.3625750000e+00 -4.6944000000e-01
+ENERGY -1.526603029617e+02
+FORCES  1.0717000000e-03  8.2100000000e-04  3.9795000000e-03 -1.4360000000e-04  2.2850000000e-04 -4.9592000000e-03  3.1390000000e-04 -3.6411000000e-03  3.1477000000e-03 -2.4332000000e-03  1.0190300000e-02 -8.7730000000e-04  4.0299000000e-03 -8.7216000000e-03 -2.3467000000e-03 -2.8387000000e-03  1.1229000000e-03  1.0560000000e-03
+
+JOB 29
+COORDS -3.3875800000e-01  1.0647220000e+00 -8.3054900000e-01 -6.4226100000e-01  6.2315900000e-01 -1.6237320000e+00 -1.1384190000e+00  1.3853400000e+00 -4.1344200000e-01  3.7845800000e-01 -1.1181590000e+00  8.6398200000e-01 -5.4495000000e-02 -3.5211500000e-01  4.8720600000e-01  1.2722970000e+00 -8.2542800000e-01  1.0417260000e+00
+ENERGY -1.526596675984e+02
+FORCES -2.4539000000e-03 -1.0418000000e-03 -4.1600000000e-03  9.0990000000e-04  2.6064000000e-03  4.7204000000e-03  5.0809000000e-03 -4.6503000000e-03 -3.7140000000e-04  1.0151000000e-03  1.1084300000e-02 -6.9602000000e-03 -2.1575000000e-03 -6.4844000000e-03  6.7752000000e-03 -2.3946000000e-03 -1.5143000000e-03 -4.0000000000e-06
+
+JOB 30
+COORDS  4.7377700000e-01 -1.3634290000e+00 -2.0735400000e-01  2.4077500000e-01 -4.6296400000e-01  1.8709000000e-02  1.0025730000e+00 -1.2824330000e+00 -1.0011090000e+00 -4.5678600000e-01  1.2532440000e+00  2.1033700000e-01 -5.7746200000e-01  2.1291140000e+00 -1.5643600000e-01 -8.8790800000e-01  1.2891300000e+00  1.0641980000e+00
+ENERGY -1.526601649998e+02
+FORCES -1.9302000000e-03  1.1711400000e-02 -1.8770000000e-03  1.7872000000e-03 -8.1175000000e-03  2.4694000000e-03 -1.3832000000e-03 -3.4190000000e-04  1.9604000000e-03 -5.7950000000e-04  1.5680000000e-04 -8.9750000000e-04 -4.4760000000e-04 -3.2764000000e-03  3.0051000000e-03  2.5534000000e-03 -1.3250000000e-04 -4.6604000000e-03
+
+JOB 31
+COORDS  5.2773800000e-01 -1.2310160000e+00 -2.7798700000e-01  8.3698000000e-02 -1.9173640000e+00 -7.7597000000e-01  1.0727750000e+00 -1.7047790000e+00  3.5027600000e-01 -5.6554500000e-01  1.3046580000e+00  3.3259700000e-01 -7.0717800000e-01  1.7008820000e+00 -5.2715800000e-01  8.5667000000e-02  6.2054200000e-01  1.7722500000e-01
+ENERGY -1.526594949620e+02
+FORCES -3.9358000000e-03 -1.9211000000e-03  3.2220000000e-04  3.3045000000e-03  1.7554000000e-03  2.3927000000e-03 -2.9189000000e-03  2.4209000000e-03 -2.9997000000e-03  4.1766000000e-03 -9.0620000000e-03 -5.3488000000e-03  2.7800000000e-05 -1.4384000000e-03  2.3879000000e-03 -6.5420000000e-04  8.2453000000e-03  3.2457000000e-03
+
+JOB 32
+COORDS  1.2475510000e+00  2.3601300000e-01 -7.3247000000e-01  8.8609300000e-01  3.7963300000e-01 -1.6070860000e+00  4.9989700000e-01 -5.0412000000e-02 -2.0786900000e-01 -1.1374560000e+00 -2.6238000000e-01  7.1680000000e-01 -2.0084770000e+00 -5.4613600000e-01  9.9435400000e-01 -1.0636190000e+00  6.3586500000e-01  1.0391890000e+00
+ENERGY -1.526598180993e+02
+FORCES -9.4123000000e-03 -4.2692000000e-03  8.8260000000e-04  1.3390000000e-03  4.7100000000e-05  2.4894000000e-03  5.8539000000e-03  6.2835000000e-03 -6.8270000000e-04 -1.7524000000e-03  3.0970000000e-04  7.9930000000e-04  3.3344000000e-03  3.1668000000e-03 -5.0880000000e-04  6.3740000000e-04 -5.5379000000e-03 -2.9798000000e-03
+
+JOB 33
+COORDS -1.2497390000e+00  4.1338400000e-01  3.9463700000e-01 -1.4997770000e+00  6.2874500000e-01 -5.0388000000e-01 -2.0446700000e+00  5.6122600000e-01  9.0694500000e-01  1.3706760000e+00 -4.4821900000e-01 -3.6036600000e-01  9.0240500000e-01 -6.8076500000e-01 -1.1621610000e+00  7.3115500000e-01  4.0220000000e-02  1.5797100000e-01
+ENERGY -1.526582665998e+02
+FORCES -2.7843000000e-03  4.0150000000e-04 -6.1550000000e-04  2.2075000000e-03 -1.7205000000e-03  4.1317000000e-03  2.9169000000e-03 -6.1720000000e-04 -3.5364000000e-03 -1.0451400000e-02  1.3439000000e-03  2.4376000000e-03  1.4305000000e-03  1.3821000000e-03  1.2736000000e-03  6.6807000000e-03 -7.8980000000e-04 -3.6911000000e-03
+
+JOB 34
+COORDS -1.1372060000e+00 -7.8012500000e-01 -1.3625000000e-02 -1.4534080000e+00 -1.6826860000e+00 -5.4029000000e-02 -1.6580440000e+00 -3.7415900000e-01  6.7930400000e-01  1.2168970000e+00  8.0482700000e-01 -7.8933000000e-02  3.9541600000e-01  3.6037700000e-01  1.3050700000e-01  1.4424850000e+00  1.2812350000e+00  7.2005200000e-01
+ENERGY -1.526585768597e+02
+FORCES -8.3290000000e-04 -3.8803000000e-03  6.3800000000e-05 -4.6030000000e-04  4.6517000000e-03  8.3030000000e-04  5.3295000000e-03 -1.1435000000e-03 -2.9352000000e-03 -6.7243000000e-03 -5.5831000000e-03  1.2272000000e-03  5.0621000000e-03  8.1611000000e-03  2.9760000000e-03 -2.3742000000e-03 -2.2059000000e-03 -2.1622000000e-03
+
+JOB 35
+COORDS  1.1112370000e+00 -8.5814300000e-01  5.3644500000e-01  2.8676200000e-01 -5.4517300000e-01  1.6425900000e-01  1.2665600000e+00 -2.8771200000e-01  1.2892500000e+00 -1.0495030000e+00  7.4044400000e-01 -5.6206300000e-01 -1.9701580000e+00  1.0020130000e+00 -5.7650200000e-01 -5.6647000000e-01  1.5652170000e+00 -5.1049000000e-01
+ENERGY -1.526603905869e+02
+FORCES -8.1823000000e-03  5.0374000000e-03 -8.1790000000e-04  7.9779000000e-03 -3.2795000000e-03  2.8954000000e-03 -3.7100000000e-05 -1.0221000000e-03 -2.6408000000e-03 -1.6268000000e-03  3.2147000000e-03 -2.5750000000e-04  4.6664000000e-03  3.2280000000e-04 -1.0190000000e-04 -2.7982000000e-03 -4.2733000000e-03  9.2270000000e-04
+
+JOB 36
+COORDS  1.9890000000e-03  7.4936600000e-01  1.2081640000e+00  6.8245800000e-01  1.1693090000e+00  1.7343220000e+00 -4.7764100000e-01  1.4765660000e+00  8.1146800000e-01 -6.3137000000e-02 -8.6073400000e-01 -1.2262210000e+00  6.3302300000e-01 -6.1008500000e-01 -1.8334840000e+00  7.3777000000e-02 -3.0270400000e-01 -4.6065700000e-01
+ENERGY -1.526605602315e+02
+FORCES  7.9350000000e-04  4.0883000000e-03  2.7397000000e-03 -3.8310000000e-03 -1.0424000000e-03 -2.6749000000e-03  3.9991000000e-03 -4.7256000000e-03  5.5010000000e-04  3.5397000000e-03  4.4940000000e-03  7.0696000000e-03 -2.1656000000e-03 -1.0770000000e-04  2.4366000000e-03 -2.3357000000e-03 -2.7066000000e-03 -1.0121200000e-02
+
+JOB 37
+COORDS -9.5864600000e-01  9.3570900000e-01 -7.0128000000e-01 -1.6537940000e+00  3.0351500000e-01 -8.8384900000e-01 -2.2525200000e-01  4.0355400000e-01 -3.9277400000e-01  8.8958700000e-01 -8.8448400000e-01  6.6916800000e-01  1.1723090000e+00 -7.7087900000e-01  1.5765790000e+00  1.6624910000e+00 -6.6716500000e-01  1.4799200000e-01
+ENERGY -1.526599186604e+02
+FORCES  3.1856000000e-03 -9.0601000000e-03  5.2868000000e-03  1.6769000000e-03  2.3574000000e-03  1.7000000000e-04 -1.6511000000e-03  6.1924000000e-03 -7.1198000000e-03  3.2819000000e-03  7.4180000000e-04  4.4747000000e-03 -2.2130000000e-04 -1.2424000000e-03 -4.6721000000e-03 -6.2721000000e-03  1.0109000000e-03  1.8604000000e-03
+
+JOB 38
+COORDS -1.3721400000e-01  1.0745520000e+00 -1.0494420000e+00 -3.3329600000e-01  5.2557200000e-01 -1.8086550000e+00  2.6204000000e-02  4.5327400000e-01 -3.3983600000e-01  1.3921900000e-01 -9.6078900000e-01  1.0121800000e+00 -5.9018000000e-01 -1.5692590000e+00  1.1303870000e+00  8.2858000000e-01 -1.2985440000e+00  1.5839610000e+00
+ENERGY -1.526613809073e+02
+FORCES  1.2952000000e-03 -8.4398000000e-03  4.9373000000e-03  1.2060000000e-04  1.4963000000e-03  2.2524000000e-03 -1.4622000000e-03  6.5816000000e-03 -6.7781000000e-03 -1.7500000000e-05 -2.0891000000e-03  2.0458000000e-03  4.1834000000e-03  2.0994000000e-03 -3.2600000000e-04 -4.1195000000e-03  3.5150000000e-04 -2.1314000000e-03
+
+JOB 39
+COORDS  4.2922500000e-01 -1.2231950000e+00  6.1197000000e-01  9.1573800000e-01 -1.0216640000e+00  1.4112970000e+00  3.1742300000e-01 -2.1736260000e+00  6.3226000000e-01 -4.1761500000e-01  1.3252450000e+00 -6.8240800000e-01 -1.3614120000e+00  1.2005420000e+00 -5.8276900000e-01 -3.4712000000e-02  4.9438500000e-01 -4.0082600000e-01
+ENERGY -1.526612291586e+02
+FORCES  1.0667000000e-03 -3.1914000000e-03  2.5002000000e-03 -2.4037000000e-03 -1.6232000000e-03 -3.9348000000e-03  8.6910000000e-04  4.0946000000e-03  1.3859000000e-03 -9.2770000000e-04 -8.7629000000e-03  3.3787000000e-03  2.4884000000e-03  9.7590000000e-04 -6.1590000000e-04 -1.0927000000e-03  8.5070000000e-03 -2.7141000000e-03
+
+JOB 40
+COORDS -1.1180770000e+00 -4.5528500000e-01 -9.0882400000e-01 -7.7821500000e-01  1.3976100000e-01 -1.5771400000e+00 -1.6087430000e+00  1.0950300000e-01 -3.1175300000e-01  1.1390070000e+00  4.5191100000e-01  9.5237500000e-01  1.6792470000e+00 -3.1781200000e-01  7.7377300000e-01  3.4017800000e-01  3.0736100000e-01  4.4521800000e-01
+ENERGY -1.526577980812e+02
+FORCES -3.9629000000e-03  3.4025000000e-03 -3.4810000000e-03 -5.3130000000e-04 -3.0292000000e-03  5.3451000000e-03  6.9801000000e-03 -2.5415000000e-03 -1.5363000000e-03 -3.8273000000e-03 -7.6856000000e-03 -5.5934000000e-03 -6.4580000000e-04  3.2411000000e-03  1.0297000000e-03  1.9873000000e-03  6.6128000000e-03  4.2360000000e-03
+
+JOB 41
+COORDS  6.3223700000e-01 -1.1477990000e+00  8.2480100000e-01 -1.1550100000e-01 -1.2721430000e+00  1.4093170000e+00  4.7185300000e-01 -3.0186600000e-01  4.0658300000e-01 -5.2468700000e-01  1.0565090000e+00 -8.3011600000e-01 -4.6850300000e-01  2.0062740000e+00 -7.2512700000e-01 -1.4488100000e+00  8.8982600000e-01 -1.0157100000e+00
+ENERGY -1.526604315155e+02
+FORCES -5.2647000000e-03  7.0067000000e-03 -3.1704000000e-03  2.0210000000e-03  2.9500000000e-05 -1.8203000000e-03  4.1620000000e-03 -6.3431000000e-03  5.7688000000e-03 -4.3259000000e-03  2.2785000000e-03 -1.8856000000e-03 -7.2610000000e-04 -4.7708000000e-03 -2.0010000000e-04  4.1337000000e-03  1.7992000000e-03  1.3075000000e-03
+
+JOB 42
+COORDS  3.1666100000e-01 -5.0267700000e-01  1.3161440000e+00  1.1414500000e+00 -2.1935100000e-01  1.7107080000e+00 -1.4033900000e-01 -9.6319000000e-01  2.0199270000e+00 -3.3554500000e-01  4.9551900000e-01 -1.4436060000e+00 -2.2468600000e-01 -1.0478900000e-01 -7.0633200000e-01 -4.8573100000e-01  1.3491960000e+00 -1.0375130000e+00
+ENERGY -1.526607717291e+02
+FORCES  2.2009000000e-03 -5.2010000000e-04  4.0599000000e-03 -4.3084000000e-03 -1.4101000000e-03 -7.0880000000e-04  2.6665000000e-03  2.4229000000e-03 -2.7537000000e-03  8.4380000000e-04 -7.6610000000e-04  9.6924000000e-03 -1.8635000000e-03  1.8969000000e-03 -7.9504000000e-03  4.6070000000e-04 -1.6235000000e-03 -2.3394000000e-03
+
+JOB 43
+COORDS  5.6887800000e-01 -1.2834750000e+00  3.9989500000e-01  1.0613990000e+00 -2.1017920000e+00  3.3654900000e-01  7.1161800000e-01 -9.8641200000e-01  1.2985670000e+00 -5.7789800000e-01  1.3513460000e+00 -4.9435000000e-01 -1.4312370000e+00  1.4159730000e+00 -6.5551000000e-02 -1.5720400000e-01  5.9832800000e-01 -7.9366000000e-02
+ENERGY -1.526583172715e+02
+FORCES  3.6497000000e-03 -4.5481000000e-03  7.3910000000e-04 -2.2018000000e-03  3.2638000000e-03  1.8746000000e-03 -1.9733000000e-03  7.4880000000e-04 -5.7868000000e-03 -1.2640000000e-04 -7.3529000000e-03  1.6663000000e-03  3.2124000000e-03 -2.4820000000e-04 -8.7800000000e-04 -2.5606000000e-03  8.1365000000e-03  2.3849000000e-03
+
+JOB 44
+COORDS -5.4036400000e-01  1.3079610000e+00  4.1412600000e-01 -4.7981200000e-01  2.2112690000e+00  7.2493100000e-01 -8.0352300000e-01  8.0590900000e-01  1.1854380000e+00  5.0261400000e-01 -1.3709040000e+00 -5.0297900000e-01  4.0017300000e-01 -5.2221600000e-01 -7.2322000000e-02  1.4474300000e+00 -1.5242430000e+00 -5.0945900000e-01
+ENERGY -1.526584515223e+02
+FORCES -2.3369000000e-03  4.3798000000e-03  3.5440000000e-03 -1.1290000000e-03 -4.1940000000e-03 -8.3140000000e-04  4.2707000000e-03  1.0827000000e-03 -5.1621000000e-03  2.1680000000e-03  6.8771000000e-03  3.7760000000e-04  3.2320000000e-04 -8.9097000000e-03  1.8894000000e-03 -3.2960000000e-03  7.6400000000e-04  1.8260000000e-04
+
+JOB 45
+COORDS  8.5890900000e-01 -4.1812800000e-01  1.1372250000e+00  1.0069580000e+00  3.2238800000e-01  1.7254000000e+00  3.2054400000e-01 -1.0246030000e+00  1.6457350000e+00 -8.8576700000e-01  3.6385100000e-01 -1.2115520000e+00 -8.7509000000e-02  2.8673500000e-01 -6.8899100000e-01 -8.3624800000e-01  1.2382840000e+00 -1.5977490000e+00
+ENERGY -1.526603486686e+02
+FORCES -3.1251000000e-03 -1.2678000000e-03  5.9115000000e-03 -9.2130000000e-04 -3.0152000000e-03 -3.3023000000e-03  3.3784000000e-03  3.0265000000e-03 -1.2727000000e-03  5.7432000000e-03  2.6590000000e-04  4.0187000000e-03 -5.5161000000e-03  3.7667000000e-03 -7.6264000000e-03  4.4090000000e-04 -2.7762000000e-03  2.2712000000e-03
+
+JOB 46
+COORDS -2.9476700000e-01  1.5351620000e+00 -1.5878900000e-01 -6.8303800000e-01  1.7869080000e+00  6.7912600000e-01 -3.3973000000e-02  6.2215800000e-01 -3.7789000000e-02  3.5461100000e-01 -1.4966150000e+00  7.4904000000e-02 -5.4812200000e-01 -1.5476830000e+00 -2.3925600000e-01  2.7770900000e-01 -1.5080270000e+00  1.0289420000e+00
+ENERGY -1.526584859987e+02
+FORCES  2.6291000000e-03 -5.8421000000e-03  2.8864000000e-03  1.3214000000e-03 -2.0704000000e-03 -2.7868000000e-03 -5.7758000000e-03  8.1870000000e-03  5.2000000000e-04 -3.3269000000e-03 -5.8623000000e-03  2.1960000000e-03  5.3537000000e-03  3.0659000000e-03  2.5070000000e-03 -2.0140000000e-04  2.5219000000e-03 -5.3225000000e-03
+
+JOB 47
+COORDS  1.2468150000e+00 -6.6639600000e-01 -7.9509000000e-01  1.1555430000e+00  9.9026000000e-02 -2.2761300000e-01  3.4792300000e-01 -9.4961200000e-01 -9.6246100000e-01 -1.1604940000e+00  6.9246800000e-01  7.3255100000e-01 -2.0990190000e+00  5.8781600000e-01  8.8891600000e-01 -7.5208600000e-01 -1.1640000000e-03  1.2505360000e+00
+ENERGY -1.526569910162e+02
+FORCES -6.5108000000e-03  5.1690000000e-03  6.7900000000e-05  2.3764000000e-03 -4.7004000000e-03  1.6380000000e-04  4.1815000000e-03 -1.7265000000e-03  9.1210000000e-04 -3.6497000000e-03 -2.0614000000e-03  3.8669000000e-03  4.3078000000e-03 -2.2450000000e-04 -7.5180000000e-04 -7.0520000000e-04  3.5438000000e-03 -4.2589000000e-03
+
+JOB 48
+COORDS  6.9110600000e-01  2.3208100000e-01  1.4514350000e+00 -3.7160000000e-02 -3.5220400000e-01  1.2405490000e+00  1.4059040000e+00 -6.1888000000e-02  8.8674300000e-01 -6.4132700000e-01 -1.2772700000e-01 -1.4162770000e+00 -9.0339500000e-01 -8.3873500000e-01 -2.0011020000e+00 -1.1722410000e+00 -2.5557800000e-01 -6.3013700000e-01
+ENERGY -1.526528905553e+02
+FORCES  1.1919000000e-03 -3.4706000000e-03 -6.8379000000e-03 -6.6730000000e-04  2.4863000000e-03  1.9870000000e-04 -1.6414000000e-03  8.8630000000e-04  4.4451000000e-03 -4.5795000000e-03 -1.4923000000e-03  1.1360000000e-04  1.8055000000e-03  3.1338000000e-03  3.2140000000e-03  3.8909000000e-03 -1.5434000000e-03 -1.1335000000e-03
+
+JOB 49
+COORDS  8.0730100000e-01 -1.8603400000e-01 -1.3384160000e+00  1.5744860000e+00  2.5292500000e-01 -1.7058030000e+00  1.4952700000e-01  5.0503500000e-01 -1.2610250000e+00 -7.9414000000e-01  1.7595100000e-01  1.4004440000e+00 -9.1729600000e-01  2.5506100000e-01  4.5450300000e-01 -1.0154860000e+00 -7.3455000000e-01  1.5959590000e+00
+ENERGY -1.526515892215e+02
+FORCES  2.7476000000e-03  5.8110000000e-03 -3.8190000000e-04 -3.3288000000e-03 -2.2504000000e-03  1.2497000000e-03 -8.2830000000e-04 -4.5885000000e-03  2.9137000000e-03  1.2591000000e-03 -6.2323000000e-03 -4.1997000000e-03  1.8900000000e-05  3.2400000000e-03  1.9690000000e-04  1.3150000000e-04  4.0202000000e-03  2.2130000000e-04
+
+JOB 50
+COORDS -1.2378330000e+00  1.0211220000e+00 -1.9038600000e-01 -2.0527150000e+00  5.9612500000e-01 -4.5792600000e-01 -6.2336700000e-01  2.9942800000e-01 -5.6891000000e-02  1.2578560000e+00 -9.5224200000e-01  2.6353100000e-01  1.8267720000e+00 -6.6403300000e-01 -4.5026300000e-01  5.3139400000e-01 -1.3969270000e+00 -1.7320700000e-01
+ENERGY -1.526554828821e+02
+FORCES  1.7929000000e-03 -3.9293000000e-03  1.8644000000e-03  4.1526000000e-03  6.2630000000e-04  9.0110000000e-04 -6.7721000000e-03  7.4230000000e-04 -4.3554000000e-03  3.7678000000e-03 -2.4518000000e-03 -4.9903000000e-03 -3.2227000000e-03 -1.7443000000e-03  3.6749000000e-03  2.8150000000e-04  6.7569000000e-03  2.9054000000e-03
+
+JOB 51
+COORDS  1.6003470000e+00 -4.6430000000e-02  2.6499500000e-01  1.6826660000e+00 -1.4519500000e-01  1.2135200000e+00  8.0434700000e-01 -5.2886000000e-01  4.1662000000e-02 -1.5629180000e+00  1.3912500000e-01 -2.6871700000e-01 -1.9098400000e+00 -3.2556000000e-02 -1.1441610000e+00 -1.1979770000e+00 -6.9955500000e-01  1.3534000000e-02
+ENERGY -1.526507939639e+02
+FORCES -4.9759000000e-03  5.1160000000e-04  2.4708000000e-03 -5.2700000000e-04 -9.2700000000e-05 -4.0895000000e-03  1.4223000000e-03 -2.5596000000e-03  1.6543000000e-03 -1.5827000000e-03 -2.9961000000e-03 -3.1090000000e-03  1.8228000000e-03  7.5660000000e-04  4.3406000000e-03  3.8405000000e-03  4.3803000000e-03 -1.2672000000e-03
+
+JOB 52
+COORDS -2.7372300000e-01  1.1272150000e+00 -1.1560830000e+00  2.7615500000e-01  4.6290300000e-01 -7.4068500000e-01 -9.5828700000e-01  6.2791300000e-01 -1.6013940000e+00  3.1549100000e-01 -1.0209540000e+00  1.1284890000e+00 -1.1655800000e-01 -1.7949120000e+00  7.6716500000e-01  9.5267000000e-02 -1.0360370000e+00  2.0598890000e+00
+ENERGY -1.526576173637e+02
+FORCES  2.2930000000e-04 -6.1397000000e-03  3.7820000000e-03 -1.8521000000e-03  3.8319000000e-03 -6.6497000000e-03  2.2291000000e-03  1.4977000000e-03  1.3259000000e-03 -3.2481000000e-03 -2.1434000000e-03  4.9898000000e-03  1.7875000000e-03  4.1732000000e-03  4.7780000000e-04  8.5430000000e-04 -1.2198000000e-03 -3.9259000000e-03
+
+JOB 53
+COORDS -1.5020600000e-01  1.3567170000e+00 -9.0410100000e-01 -7.0357000000e-02  6.1634100000e-01 -3.0268700000e-01  6.0401500000e-01  1.9110310000e+00 -7.0380500000e-01  8.6406000000e-02 -1.2849670000e+00  8.3107900000e-01 -4.9414200000e-01 -1.9313690000e+00  1.2327760000e+00  9.5401400000e-01 -1.6879000000e+00  8.6472500000e-01
+ENERGY -1.526605332779e+02
+FORCES  2.2638000000e-03 -3.9723000000e-03  4.9908000000e-03  4.4650000000e-04  8.1170000000e-03 -5.2221000000e-03 -2.2003000000e-03 -2.1373000000e-03 -7.0340000000e-04 -1.3710000000e-04 -5.8108000000e-03  2.0911000000e-03  3.5891000000e-03  1.9249000000e-03 -1.3679000000e-03 -3.9619000000e-03  1.8785000000e-03  2.1130000000e-04
+
+JOB 54
+COORDS -9.6596500000e-01  1.0574560000e+00  5.6884700000e-01 -1.2809280000e+00  1.7846240000e+00  3.1951000000e-02 -1.7378220000e+00  7.6519500000e-01  1.0536690000e+00  1.0667200000e+00 -1.0528170000e+00 -6.1636700000e-01  2.3280700000e-01 -7.8279500000e-01 -2.3177900000e-01  1.3094820000e+00 -1.8424560000e+00 -1.3286900000e-01
+ENERGY -1.526586306094e+02
+FORCES -4.2424000000e-03  5.3285000000e-03 -4.7330000000e-04  6.1310000000e-04 -3.1771000000e-03  3.1678000000e-03  4.0448000000e-03  2.2260000000e-04 -2.7061000000e-03 -3.8672000000e-03  1.6994000000e-03  4.4530000000e-03  4.8254000000e-03 -6.9787000000e-03 -3.0470000000e-03 -1.3737000000e-03  2.9053000000e-03 -1.3946000000e-03
+
+JOB 55
+COORDS -1.2667320000e+00 -1.0024410000e+00  1.2229500000e-01 -9.1609500000e-01 -1.1405900000e-01  5.8556000000e-02 -2.0398480000e+00 -9.1586300000e-01  6.7999300000e-01  1.2299350000e+00  9.2166700000e-01 -1.8000500000e-01  1.5614270000e+00  1.8177770000e+00 -2.3772300000e-01  1.8405150000e+00  4.7733800000e-01  4.0820900000e-01
+ENERGY -1.526593063440e+02
+FORCES  8.2120000000e-04  5.4554000000e-03  5.5720000000e-04 -6.3581000000e-03 -5.7903000000e-03  1.5563000000e-03  3.1072000000e-03  8.8400000000e-05 -1.8921000000e-03  6.1052000000e-03  1.1028000000e-03  1.7051000000e-03 -1.3500000000e-03 -4.0324000000e-03  5.9360000000e-04 -2.3255000000e-03  3.1760000000e-03 -2.5201000000e-03
+
+JOB 56
+COORDS  5.4675700000e-01  2.9956000000e-02  1.5461760000e+00  8.3080900000e-01  8.9137800000e-01  1.2403990000e+00 -4.0740400000e-01  5.2025000000e-02  1.4732310000e+00 -4.8940500000e-01 -4.0875000000e-02 -1.4727540000e+00 -5.1706200000e-01 -9.9761000000e-01 -1.4839470000e+00 -8.0264700000e-01  2.1842300000e-01 -2.3392850000e+00
+ENERGY -1.526560825004e+02
+FORCES -3.5506000000e-03  4.5599000000e-03 -5.7326000000e-03 -1.2100000000e-04 -2.5120000000e-03  3.2862000000e-03  3.3239000000e-03 -1.0345000000e-03  2.5748000000e-03 -9.0400000000e-05 -4.4117000000e-03 -3.4691000000e-03 -1.1725000000e-03  4.2862000000e-03 -7.0950000000e-04  1.6106000000e-03 -8.8790000000e-04  4.0501000000e-03
+
+JOB 57
+COORDS  6.6450000000e-01  1.0013890000e+00  1.0914490000e+00  1.1196080000e+00  7.3257100000e-01  1.8894750000e+00 -1.3319600000e-01  1.4292590000e+00  1.4026430000e+00 -6.1555400000e-01 -1.0591180000e+00 -1.1859170000e+00 -1.5383550000e+00 -8.1761300000e-01 -1.2655800000e+00 -2.5691600000e-01 -4.3259700000e-01 -5.5736200000e-01
+ENERGY -1.526593316452e+02
+FORCES  1.0729000000e-03  1.8703000000e-03  7.0876000000e-03 -2.3960000000e-03  2.0117000000e-03 -3.2439000000e-03  3.0880000000e-03 -2.9973000000e-03 -2.2983000000e-03  2.4830000000e-04  4.8251000000e-03  3.7310000000e-03  3.1505000000e-03 -5.7490000000e-04  6.8010000000e-04 -5.1637000000e-03 -5.1349000000e-03 -5.9565000000e-03
+
+JOB 58
+COORDS -5.6917400000e-01 -1.5706160000e+00  5.3403600000e-01 -6.1550000000e-03 -7.9848600000e-01  4.7874600000e-01 -1.2783880000e+00 -1.3952700000e+00 -8.4430000000e-02  5.1510200000e-01  1.5113780000e+00 -4.7083500000e-01  8.6924400000e-01  1.2416630000e+00 -1.3182250000e+00  1.2743800000e+00  1.8331710000e+00  1.5146000000e-02
+ENERGY -1.526587329685e+02
+FORCES -7.4820000000e-04  7.0894000000e-03 -2.8904000000e-03 -1.1315000000e-03 -7.2217000000e-03  1.5771000000e-03  2.2299000000e-03 -1.8865000000e-03  1.8227000000e-03  5.1059000000e-03  3.9513000000e-03 -2.8040000000e-03 -1.9283000000e-03  4.2250000000e-04  4.5164000000e-03 -3.5278000000e-03 -2.3549000000e-03 -2.2218000000e-03
+
+JOB 59
+COORDS -1.3253740000e+00 -1.0102410000e+00 -3.9598400000e-01 -6.1343800000e-01 -6.9132500000e-01 -9.5066500000e-01 -1.5523520000e+00 -1.8641590000e+00 -7.6413600000e-01  1.2979780000e+00  1.0787540000e+00  5.1429900000e-01  1.2150160000e+00  1.4159800000e+00 -3.7768100000e-01  1.3266610000e+00  1.2772800000e-01  4.0961700000e-01
+ENERGY -1.526526354831e+02
+FORCES  4.5190000000e-04 -1.8446000000e-03 -4.0704000000e-03 -1.2466000000e-03 -1.6168000000e-03  2.7278000000e-03  1.3046000000e-03  3.9483000000e-03  1.8618000000e-03 -7.3990000000e-04 -2.4057000000e-03 -2.2382000000e-03 -1.4700000000e-04 -2.5495000000e-03  3.2953000000e-03  3.7700000000e-04  4.4683000000e-03 -1.5762000000e-03
+
+JOB 60
+COORDS -1.0187910000e+00  3.4252700000e-01 -1.4694550000e+00 -1.0259910000e+00 -1.7693000000e-01 -6.6549900000e-01 -1.4965980000e+00  1.1406510000e+00 -1.2437770000e+00  1.0023980000e+00 -3.1053800000e-01  1.4048000000e+00  1.0470190000e+00 -1.1421900000e+00  9.3300000000e-01  1.7581960000e+00 -3.2685900000e-01  1.9919420000e+00
+ENERGY -1.526553237584e+02
+FORCES -8.9430000000e-04  2.3821000000e-03  6.0373000000e-03 -6.0300000000e-04  5.8600000000e-05 -4.6815000000e-03  1.2428000000e-03 -3.0168000000e-03 -1.6283000000e-03  5.1373000000e-03 -2.9386000000e-03  6.7230000000e-04 -1.8300000000e-03  3.5878000000e-03  2.0538000000e-03 -3.0528000000e-03 -7.3100000000e-05 -2.4536000000e-03
+
+JOB 61
+COORDS -1.6759300000e-01 -1.7387710000e+00 -6.5293000000e-01 -7.7544500000e-01 -1.0227730000e+00 -4.6828300000e-01  6.9331100000e-01 -1.3213350000e+00 -6.8161800000e-01  1.5406600000e-01  1.6019720000e+00  6.3779300000e-01  1.7901100000e-01  2.2332240000e+00 -8.1326000000e-02  1.2337500000e-01  2.1402710000e+00  1.4286940000e+00
+ENERGY -1.526574702478e+02
+FORCES  1.3901000000e-03  6.6239000000e-03  2.5585000000e-03  9.4370000000e-04 -4.5855000000e-03 -2.3773000000e-03 -2.6083000000e-03 -3.0127000000e-03 -1.3011000000e-03  2.8140000000e-04  6.0867000000e-03  1.8768000000e-03 -1.8210000000e-04 -3.2512000000e-03  2.9498000000e-03  1.7510000000e-04 -1.8611000000e-03 -3.7068000000e-03
+
+JOB 62
+COORDS  8.2853500000e-01  6.7577900000e-01 -1.4649450000e+00  5.3001400000e-01  1.0471360000e+00 -2.2951320000e+00  4.1678600000e-01  1.2223830000e+00 -7.9567700000e-01 -7.7940500000e-01 -6.9053900000e-01  1.5291700000e+00 -1.6010110000e+00 -8.4378500000e-01  1.0625750000e+00 -1.2540900000e-01 -1.1806650000e+00  1.0308760000e+00
+ENERGY -1.526570750454e+02
+FORCES -2.4950000000e-03  4.6903000000e-03 -2.8970000000e-04  9.1780000000e-04 -1.5300000000e-03  3.4932000000e-03  2.0377000000e-03 -2.2250000000e-03 -4.3055000000e-03 -1.8360000000e-04 -4.0556000000e-03 -4.3640000000e-03  3.0047000000e-03  1.1426000000e-03  2.0852000000e-03 -3.2815000000e-03  1.9777000000e-03  3.3809000000e-03
+
+JOB 63
+COORDS  7.6690400000e-01 -9.5689000000e-02 -1.7386550000e+00  8.2416000000e-02 -5.3608100000e-01 -2.2424040000e+00  7.0731400000e-01 -4.8127500000e-01 -8.6458200000e-01 -6.7164000000e-01  1.8226000000e-01  1.6980970000e+00 -8.6267300000e-01 -1.9968500000e-01  2.5547510000e+00 -1.3955480000e+00 -1.0377100000e-01  1.1409830000e+00
+ENERGY -1.526553701438e+02
+FORCES -2.0246000000e-03 -2.7881000000e-03  2.7296000000e-03  2.2472000000e-03  1.8128000000e-03  2.3589000000e-03 -1.7120000000e-04  5.0520000000e-04 -5.9873000000e-03 -4.8239000000e-03 -1.3315000000e-03  2.9568000000e-03  6.9660000000e-04  1.6556000000e-03 -3.8876000000e-03  4.0758000000e-03  1.4590000000e-04  1.8296000000e-03
+
+JOB 64
+COORDS  6.3615700000e-01 -1.0663600000e+00  1.4246470000e+00  7.9722200000e-01 -1.0643240000e+00  2.3681970000e+00  9.8147600000e-01 -1.9069740000e+00  1.1240560000e+00 -7.1121900000e-01  1.0831630000e+00 -1.5005270000e+00 -4.2522400000e-01  8.7628200000e-01 -6.1078600000e-01 -1.9780100000e-01  1.8532420000e+00 -1.7446830000e+00
+ENERGY -1.526572728216e+02
+FORCES  2.2317000000e-03 -4.7428000000e-03  3.0610000000e-03 -5.0310000000e-04 -1.0640000000e-04 -3.9908000000e-03 -1.2041000000e-03  3.5148000000e-03  1.8453000000e-03  3.5339000000e-03  1.2023000000e-03  3.8539000000e-03 -2.0897000000e-03  2.9290000000e-03 -5.5566000000e-03 -1.9687000000e-03 -2.7968000000e-03  7.8710000000e-04
+
+JOB 65
+COORDS -1.6632700000e-01 -2.7552900000e-01 -1.9538720000e+00 -1.0580530000e+00 -4.1887900000e-01 -2.2709040000e+00  3.5473900000e-01 -9.4963700000e-01 -2.3901060000e+00  1.4421600000e-01  3.6759100000e-01  2.0138590000e+00  9.8270000000e-02 -5.6431600000e-01  2.2275650000e+00  9.0046500000e-01  4.4337100000e-01  1.4319850000e+00
+ENERGY -1.526546334364e+02
+FORCES -2.6662000000e-03 -2.9068000000e-03 -3.4094000000e-03  3.9090000000e-03  3.1390000000e-04  9.0700000000e-04 -1.8822000000e-03  2.7549000000e-03  2.3297000000e-03  2.6002000000e-03 -3.4554000000e-03 -3.4742000000e-03  1.8290000000e-04  3.5011000000e-03 -2.3620000000e-04 -2.1437000000e-03 -2.0770000000e-04  3.8830000000e-03
+
+JOB 66
+COORDS  1.1157560000e+00 -1.5755550000e+00 -7.9712400000e-01  6.6927500000e-01 -1.1948380000e+00 -1.5533920000e+00  2.0136120000e+00 -1.2496560000e+00 -8.5938300000e-01 -1.1292370000e+00  1.5432580000e+00  8.9369700000e-01 -1.1882500000e+00  7.3952400000e-01  3.7720800000e-01 -1.2369840000e+00  2.2476650000e+00  2.5460900000e-01
+ENERGY -1.526543197165e+02
+FORCES  3.3445000000e-03  2.4278000000e-03 -3.2324000000e-03  9.4190000000e-04 -9.9820000000e-04  3.7483000000e-03 -3.8362000000e-03 -1.5960000000e-03 -1.4200000000e-04 -4.2180000000e-04 -1.3174000000e-03 -4.1497000000e-03 -6.7100000000e-04  4.4301000000e-03  1.4217000000e-03  6.4250000000e-04 -2.9464000000e-03  2.3541000000e-03
+
+JOB 67
+COORDS  1.1506610000e+00  9.8789300000e-01  1.5128180000e+00  9.4088200000e-01  2.3816000000e-01  9.5592900000e-01  1.7991100000e+00  6.5286400000e-01  2.1320930000e+00 -1.1838820000e+00 -8.6287800000e-01 -1.5315500000e+00 -7.1782500000e-01 -1.2531920000e+00 -7.9217300000e-01 -1.5184150000e+00 -1.6109280000e+00 -2.0262620000e+00
+ENERGY -1.526526287335e+02
+FORCES  1.9901000000e-03 -3.8502000000e-03 -6.9800000000e-05  4.3800000000e-04  1.8434000000e-03  2.5628000000e-03 -2.8506000000e-03  1.3454000000e-03 -2.6495000000e-03 -4.1990000000e-04 -5.1203000000e-03  4.0000000000e-04 -5.6980000000e-04  2.5024000000e-03 -2.3436000000e-03  1.4122000000e-03  3.2794000000e-03  2.1001000000e-03
+
+JOB 68
+COORDS  7.5418800000e-01  1.9553010000e+00  4.9114100000e-01  9.1484600000e-01  1.0214620000e+00  6.2665800000e-01  5.4952900000e-01  2.2926390000e+00  1.3632360000e+00 -7.4686000000e-01 -1.9656340000e+00 -5.0506600000e-01 -1.5244050000e+00 -1.4816130000e+00 -7.8323700000e-01 -4.2274000000e-02 -1.6251750000e+00 -1.0563170000e+00
+ENERGY -1.526554380803e+02
+FORCES -2.2280000000e-04 -2.5232000000e-03  4.9121000000e-03 -2.5580000000e-04  4.2863000000e-03 -1.4362000000e-03  8.6200000000e-04 -1.1729000000e-03 -3.5908000000e-03 -1.2037000000e-03  2.8899000000e-03 -4.4669000000e-03  3.2884000000e-03 -2.3090000000e-03  1.3595000000e-03 -2.4681000000e-03 -1.1711000000e-03  3.2223000000e-03
+
+JOB 69
+COORDS -6.0056000000e-01  1.3140060000e+00  1.6525730000e+00 -1.5360640000e+00  1.1660860000e+00  1.7910860000e+00 -4.6994400000e-01  2.2384810000e+00  1.8635600000e+00  6.2156000000e-01 -1.4168170000e+00 -1.6856180000e+00  4.1545300000e-01 -5.7286000000e-01 -2.0874740000e+00  1.2744850000e+00 -1.2110020000e+00 -1.0166180000e+00
+ENERGY -1.526551067685e+02
+FORCES -3.8822000000e-03  2.9031000000e-03  1.9046000000e-03  3.9184000000e-03  9.7110000000e-04 -4.8100000000e-04 -4.1070000000e-04 -3.8358000000e-03 -1.0943000000e-03  1.4836000000e-03  4.9587000000e-03  2.2653000000e-03  8.6960000000e-04 -3.5661000000e-03  7.8930000000e-04 -1.9788000000e-03 -1.4311000000e-03 -3.3839000000e-03
+
+JOB 70
+COORDS -1.1247400000e-01  1.8746680000e+00  1.2323960000e+00  2.2333700000e-01  2.3765150000e+00  1.9751020000e+00 -2.4682400000e-01  2.5258670000e+00  5.4383100000e-01  1.1091300000e-01 -1.9316480000e+00 -1.3003820000e+00  2.2987100000e-01 -2.7741800000e+00 -8.6195200000e-01 -1.9973900000e-01 -1.3443090000e+00 -6.1135500000e-01
+ENERGY -1.526557516731e+02
+FORCES  1.1199000000e-03  5.3304000000e-03  4.0600000000e-04 -1.4518000000e-03 -1.9343000000e-03 -3.0641000000e-03  4.5610000000e-04 -2.7578000000e-03  2.9954000000e-03 -6.8280000000e-04 -3.1710000000e-04  5.1858000000e-03 -4.5080000000e-04  3.1095000000e-03 -1.8359000000e-03  1.0094000000e-03 -3.4307000000e-03 -3.6873000000e-03
+
+JOB 71
+COORDS  2.4859000000e-01  1.4379220000e+00  1.7984790000e+00 -3.2514000000e-01  1.7171150000e+00  1.0849540000e+00  6.2477000000e-02  2.0507310000e+00  2.5098570000e+00 -2.6132500000e-01 -1.4912840000e+00 -1.7724400000e+00  2.5898200000e-01 -2.2497000000e+00 -2.0376160000e+00  2.9031800000e-01 -7.3720200000e-01 -1.9804820000e+00
+ENERGY -1.526541084149e+02
+FORCES -3.6794000000e-03  3.1826000000e-03  9.8500000000e-05  2.8413000000e-03 -6.3780000000e-04  2.7463000000e-03  8.2790000000e-04 -2.4800000000e-03 -2.8831000000e-03  4.9047000000e-03 -3.4500000000e-04 -1.3276000000e-03 -2.2087000000e-03  3.0340000000e-03  8.1160000000e-04 -2.6859000000e-03 -2.7538000000e-03  5.5420000000e-04
+
+JOB 72
+COORDS  1.4157000000e-01 -2.3568490000e+00 -5.2865700000e-01  1.0048700000e+00 -1.9818960000e+00 -7.0288500000e-01 -1.2798500000e-01 -2.7373110000e+00 -1.3646120000e+00 -1.6070100000e-01  2.3896490000e+00  6.4309000000e-01 -1.2175500000e-01  2.6502170000e+00 -2.7713800000e-01 -4.8570000000e-01  1.4895120000e+00  6.2408500000e-01
+ENERGY -1.526550259239e+02
+FORCES  2.8345000000e-03 -1.1526000000e-03 -4.1363000000e-03 -4.0056000000e-03 -1.1432000000e-03  6.3440000000e-04  1.1144000000e-03  1.8212000000e-03  3.4575000000e-03 -1.6455000000e-03 -2.9945000000e-03 -3.5603000000e-03  6.7800000000e-05 -9.9220000000e-04  3.5952000000e-03  1.6344000000e-03  4.4611000000e-03  9.4000000000e-06
+
+JOB 73
+COORDS  9.5345000000e-01  2.1130510000e+00 -6.4534500000e-01  1.3172040000e+00  2.2809300000e+00 -1.5146730000e+00  6.2110800000e-01  2.9628130000e+00 -3.5606200000e-01 -9.7014400000e-01 -2.2242370000e+00  7.1415800000e-01 -2.8627900000e-01 -1.5825850000e+00  9.0610500000e-01 -1.3884490000e+00 -1.8980650000e+00 -8.2626000000e-02
+ENERGY -1.526555334050e+02
+FORCES  4.7990000000e-04  4.7631000000e-03 -2.4383000000e-03 -1.6367000000e-03 -7.2830000000e-04  3.5938000000e-03  1.3546000000e-03 -3.5704000000e-03 -1.2851000000e-03  1.4923000000e-03  4.6802000000e-03 -2.6027000000e-03 -2.9562000000e-03 -3.3720000000e-03 -3.3820000000e-04  1.2662000000e-03 -1.7725000000e-03  3.0705000000e-03
+
+JOB 74
+COORDS -1.8846020000e+00  9.9929600000e-01 -1.2133210000e+00 -2.6526990000e+00  9.8485800000e-01 -1.7843300000e+00 -1.4210740000e+00  1.8621000000e-01 -1.4139830000e+00  1.9291010000e+00 -9.7269900000e-01  1.2055710000e+00  1.9903320000e+00 -1.1113500000e-01  1.6181110000e+00  1.3574380000e+00 -1.4762130000e+00  1.7851450000e+00
+ENERGY -1.526549226456e+02
+FORCES -7.8080000000e-04 -3.4868000000e-03 -3.3118000000e-03  3.0575000000e-03  3.8700000000e-05  2.3475000000e-03 -2.5659000000e-03  3.4424000000e-03  7.2870000000e-04 -1.9888000000e-03  1.9079000000e-03  4.3685000000e-03 -2.4000000000e-05 -3.7660000000e-03 -1.5842000000e-03  2.3021000000e-03  1.8638000000e-03 -2.5488000000e-03
+
+JOB 75
+COORDS -5.6215300000e-01  3.8793900000e-01 -2.5002970000e+00 -1.4998320000e+00  2.8684200000e-01 -2.3366810000e+00 -2.0150700000e-01  6.7362000000e-01 -1.6609210000e+00  6.1380100000e-01 -3.4772000000e-01  2.5002570000e+00 -8.6586000000e-02 -2.5114900000e-01  1.8549950000e+00  9.9484900000e-01 -1.2058730000e+00  2.3142260000e+00
+ENERGY -1.526536760047e+02
+FORCES -2.2744000000e-03  1.3882000000e-03  3.4629000000e-03  4.0466000000e-03  2.1420000000e-04 -3.1730000000e-04 -1.8608000000e-03 -1.8064000000e-03 -3.0865000000e-03 -1.1372000000e-03 -3.6837000000e-03 -2.8246000000e-03  2.9127000000e-03  1.3490000000e-04  2.0253000000e-03 -1.6868000000e-03  3.7528000000e-03  7.4010000000e-04
+
+JOB 76
+COORDS  2.0176900000e-01 -1.4450130000e+00  2.0381810000e+00 -1.3693600000e-01 -2.2912980000e+00  2.3302650000e+00  8.2964900000e-01 -1.1913770000e+00  2.7146920000e+00 -1.8338300000e-01  1.4783000000e+00 -2.0319770000e+00 -4.5008000000e-02  2.0852480000e+00 -2.7590930000e+00 -8.8897200000e-01  9.0405600000e-01 -2.3296690000e+00
+ENERGY -1.526534762722e+02
+FORCES  1.4957000000e-03 -1.9803000000e-03  3.8700000000e-03  1.2699000000e-03  3.4338000000e-03 -1.3179000000e-03 -2.6280000000e-03 -1.2525000000e-03 -2.5927000000e-03 -2.4706000000e-03 -3.9270000000e-04 -3.7658000000e-03 -4.7210000000e-04 -2.4097000000e-03  3.0147000000e-03  2.8051000000e-03  2.6014000000e-03  7.9160000000e-04
+
+JOB 77
+COORDS  2.4881300000e-01  1.8414870000e+00  1.8449510000e+00 -2.6053400000e-01  2.1294970000e+00  1.0874230000e+00  2.2377000000e-02  2.4630590000e+00  2.5367650000e+00 -1.7526800000e-01 -1.9482150000e+00 -1.8613390000e+00 -1.9969900000e-01 -1.0984690000e+00 -2.3013020000e+00 -7.1189900000e-01 -1.8283110000e+00 -1.0778330000e+00
+ENERGY -1.526539273932e+02
+FORCES -2.6863000000e-03  4.1078000000e-03  1.3730000000e-04  1.9192000000e-03 -1.6165000000e-03  2.8368000000e-03  8.8960000000e-04 -2.5922000000e-03 -2.9326000000e-03 -1.8874000000e-03  3.9054000000e-03  1.8776000000e-03 -1.0290000000e-04 -3.3243000000e-03  1.6743000000e-03  1.8680000000e-03 -4.8020000000e-04 -3.5935000000e-03
+
+JOB 78
+COORDS -3.5413700000e-01 -1.6946340000e+00 -2.0002150000e+00  2.9014800000e-01 -2.3804890000e+00 -2.1755200000e+00 -1.1996860000e+00 -2.1118140000e+00 -2.1652630000e+00  3.7672500000e-01  1.8201520000e+00  2.0402900000e+00  7.3283500000e-01  1.0193290000e+00  2.4251280000e+00 -1.2892600000e-01  1.5193220000e+00  1.2852730000e+00
+ENERGY -1.526550010916e+02
+FORCES -7.4790000000e-04 -4.7199000000e-03 -1.9821000000e-03 -2.7176000000e-03  2.7959000000e-03  8.5660000000e-04  3.5039000000e-03  1.7588000000e-03  8.4420000000e-04 -5.8270000000e-04 -4.7561000000e-03 -2.1386000000e-03 -1.3367000000e-03  3.2784000000e-03 -1.1741000000e-03  1.8810000000e-03  1.6428000000e-03  3.5940000000e-03
+
+JOB 79
+COORDS -1.4457500000e+00  2.0075530000e+00 -2.0756130000e+00 -6.3188000000e-01  1.5344090000e+00 -2.2487690000e+00 -2.1261270000e+00  1.4721110000e+00 -2.4838050000e+00  1.4341100000e+00 -1.9625770000e+00  2.1711540000e+00  1.1446000000e+00 -2.5887910000e+00  1.5076250000e+00  1.7990260000e+00 -1.2333250000e+00  1.6698970000e+00
+ENERGY -1.526537679268e+02
+FORCES  3.0680000000e-04 -3.9582000000e-03 -2.4725000000e-03 -3.1914000000e-03  1.7879000000e-03  8.7630000000e-04  2.8947000000e-03  2.1444000000e-03  1.6798000000e-03  2.4880000000e-04  5.4000000000e-04 -4.5598000000e-03  1.1941000000e-03  2.5839000000e-03  2.5956000000e-03 -1.4529000000e-03 -3.0978000000e-03  1.8806000000e-03
+
+JOB 80
+COORDS -1.0405480000e+00 -1.8635380000e+00  2.6202670000e+00 -3.4690600000e-01 -2.3361610000e+00  2.1601360000e+00 -1.8006430000e+00 -2.4430660000e+00  2.5689340000e+00  1.0592700000e+00  1.9795310000e+00 -2.6109950000e+00  2.7371200000e-01  1.4915850000e+00 -2.8580580000e+00  1.5683840000e+00  1.3637680000e+00 -2.0838600000e+00
+ENERGY -1.526539783944e+02
+FORCES -3.7370000000e-04 -4.3988000000e-03 -1.7647000000e-03 -2.8022000000e-03  2.0677000000e-03  1.6671000000e-03  3.1594000000e-03  2.3989000000e-03  1.1290000000e-04 -1.2646000000e-03 -4.3867000000e-03  1.4030000000e-03  3.2621000000e-03  1.9175000000e-03  8.6930000000e-04 -1.9810000000e-03  2.4015000000e-03 -2.2876000000e-03
+
+JOB 81
+COORDS  9.8738800000e-01  2.2384150000e+00 -2.9471550000e+00  1.0563540000e+00  1.9409500000e+00 -3.8543430000e+00  1.7586170000e+00  2.7900340000e+00 -2.8161820000e+00 -1.0510780000e+00 -2.3154530000e+00  2.9995580000e+00 -6.7153900000e-01 -1.6946290000e+00  3.6214580000e+00 -1.1168450000e+00 -1.8246740000e+00  2.1803870000e+00
+ENERGY -1.526543764274e+02
+FORCES  3.4462000000e-03  1.0878000000e-03 -3.3240000000e-03 -2.7640000000e-04  1.2146000000e-03  3.7353000000e-03 -3.1577000000e-03 -2.2716000000e-03 -4.7080000000e-04  1.2850000000e-03  4.6410000000e-03 -9.7140000000e-04 -1.5286000000e-03 -2.5645000000e-03 -2.4259000000e-03  2.3150000000e-04 -2.1072000000e-03  3.4567000000e-03
+
+JOB 82
+COORDS -1.8436190000e+00  9.6564400000e-01 -3.4125920000e+00 -1.7563320000e+00  1.4397000000e-02 -3.4737620000e+00 -1.1380470000e+00  1.2340320000e+00 -2.8240620000e+00  1.8122250000e+00 -9.8813300000e-01  3.3531240000e+00  2.3768010000e+00 -4.1459600000e-01  3.8713330000e+00  9.8104000000e-01 -5.1709600000e-01  3.2940630000e+00
+ENERGY -1.526541857370e+02
+FORCES  3.3129000000e-03 -2.8775000000e-03  2.0649000000e-03 -4.0690000000e-04  3.9179000000e-03  2.5860000000e-04 -2.9386000000e-03 -1.0151000000e-03 -2.3290000000e-03 -1.0548000000e-03  4.2144000000e-03  2.1190000000e-03 -2.3217000000e-03 -2.3274000000e-03 -2.1815000000e-03  3.4091000000e-03 -1.9122000000e-03  6.8000000000e-05
+
+JOB 83
+COORDS -1.0019170000e+00  3.8451990000e+00  3.2457300000e-01 -1.3429730000e+00  3.7271260000e+00 -5.6197700000e-01 -1.4120700000e-01  4.2448570000e+00  1.9934200000e-01  9.6382600000e-01 -3.7988510000e+00 -2.6142300000e-01  5.9048900000e-01 -4.3581070000e+00 -9.4265900000e-01  1.4327180000e+00 -4.4027030000e+00  3.1454200000e-01
+ENERGY -1.526539803184e+02
+FORCES  2.2217000000e-03  8.6660000000e-04 -4.1437000000e-03  1.3249000000e-03  6.1760000000e-04  3.5928000000e-03 -3.5318000000e-03 -1.5019000000e-03  5.2140000000e-04  3.2680000000e-04 -4.7281000000e-03 -3.1160000000e-04  1.5425000000e-03  2.2986000000e-03  2.7322000000e-03 -1.8840000000e-03  2.4471000000e-03 -2.3910000000e-03
+
+JOB 84
+COORDS -6.1505000000e-01 -2.9880950000e+00  2.7353930000e+00 -1.3421280000e+00 -3.4359170000e+00  2.3029060000e+00  1.1719600000e-01 -3.0745050000e+00  2.1249990000e+00  5.9631900000e-01  3.0706830000e+00 -2.7124590000e+00  9.2196400000e-01  3.0371890000e+00 -1.8129780000e+00  5.5476100000e-01  2.1546150000e+00 -2.9869120000e+00
+ENERGY -1.526540127161e+02
+FORCES -5.3000000000e-05 -2.3534000000e-03 -4.1214000000e-03  3.0215000000e-03  1.8857000000e-03  1.7171000000e-03 -2.9775000000e-03  4.9090000000e-04  2.4135000000e-03  1.1260000000e-03 -3.7888000000e-03  2.6263000000e-03 -1.2977000000e-03  8.9400000000e-05 -3.7375000000e-03  1.8070000000e-04  3.6762000000e-03  1.1021000000e-03
+
+JOB 85
+COORDS  6.5045200000e-01  4.2665640000e+00 -9.1578900000e-01  1.3582450000e+00  4.5589040000e+00 -1.4900690000e+00  4.0001000000e-02  5.0034910000e+00 -8.9301800000e-01 -6.4671900000e-01 -4.3475950000e+00  1.0077440000e+00 -1.4047000000e-02 -3.9297640000e+00  4.2347100000e-01 -1.4709610000e+00 -4.3293970000e+00  5.2140400000e-01
+ENERGY -1.526541532409e+02
+FORCES  4.1240000000e-04  4.2783000000e-03 -2.1690000000e-03 -2.8979000000e-03 -1.2352000000e-03  2.3143000000e-03  2.4850000000e-03 -3.0254000000e-03 -1.2730000000e-04 -7.6320000000e-04  1.9784000000e-03 -4.3480000000e-03 -2.5652000000e-03 -1.8337000000e-03  2.3554000000e-03  3.3288000000e-03 -1.6230000000e-04  1.9748000000e-03
+
+JOB 86
+COORDS  1.4977630000e+00  2.1521580000e+00  4.1641410000e+00  1.1262910000e+00  2.1028240000e+00  3.2833420000e+00  9.3441800000e-01  1.5882430000e+00  4.6941170000e+00 -1.4626720000e+00 -2.1301320000e+00 -4.2164200000e+00 -7.8732600000e-01 -1.6074370000e+00 -3.7840660000e+00 -1.9623400000e+00 -2.5181860000e+00 -3.4981040000e+00
+ENERGY -1.526539353636e+02
+FORCES -3.8088000000e-03 -2.4281000000e-03 -1.3415000000e-03  1.5125000000e-03  1.3640000000e-04  3.5440000000e-03  2.2986000000e-03  2.2775000000e-03 -2.2225000000e-03  7.3860000000e-04  4.9640000000e-04  4.6127000000e-03 -2.7907000000e-03 -2.1108000000e-03 -1.7023000000e-03  2.0497000000e-03  1.6285000000e-03 -2.8905000000e-03
+
+JOB 87
+COORDS -3.5405870000e+00  1.9458820000e+00  3.0132180000e+00 -2.8919420000e+00  1.9637510000e+00  3.7169030000e+00 -4.3128210000e+00  1.5417160000e+00  3.4088660000e+00  3.5402000000e+00 -1.9412030000e+00 -3.0119620000e+00  3.7910900000e+00 -1.0813420000e+00 -3.3494900000e+00  3.4264510000e+00 -2.4819680000e+00 -3.7935410000e+00
+ENERGY -1.526540619467e+02
+FORCES -4.3570000000e-04 -1.6512000000e-03  4.4627000000e-03 -2.6798000000e-03 -2.9500000000e-05 -2.8469000000e-03  3.1216000000e-03  1.6729000000e-03 -1.6091000000e-03  4.7360000000e-04  1.3544000000e-03 -4.5590000000e-03 -9.7280000000e-04 -3.5284000000e-03  1.3676000000e-03  4.9310000000e-04  2.1818000000e-03  3.1847000000e-03
+
+JOB 88
+COORDS  1.2332100000e-01 -4.9933400000e+00 -3.0369900000e+00  2.3638000000e-01 -5.9425410000e+00 -3.0866470000e+00  9.6377100000e-01 -4.6681030000e+00 -2.7143500000e+00 -2.2376700000e-01  4.9855240000e+00  3.0265090000e+00  6.8035100000e-01  4.7924960000e+00  3.2745880000e+00 -1.9856400000e-01  5.8891550000e+00  2.7117900000e+00
+ENERGY -1.526540214555e+02
+FORCES  3.8650000000e-03 -2.5211000000e-03  1.1487000000e-03 -4.5370000000e-04  3.8680000000e-03  1.9160000000e-04 -3.4091000000e-03 -1.3414000000e-03 -1.3349000000e-03  3.7664000000e-03  2.8937000000e-03 -2.9780000000e-04 -3.6769000000e-03  7.8430000000e-04 -1.0039000000e-03 -9.1500000000e-05 -3.6836000000e-03  1.2963000000e-03
+
+JOB 89
+COORDS  9.0823280000e+00  6.9525880000e+00 -1.2673520000e+00  9.1532110000e+00  7.8300800000e+00 -8.9156400000e-01  8.2834640000e+00  6.5909790000e+00 -8.8357300000e-01 -9.0243150000e+00 -6.9655400000e+00  1.2878060000e+00 -8.4180070000e+00 -7.0906370000e+00  5.5775700000e-01 -9.8916020000e+00 -7.0969790000e+00  9.0470100000e-01
+ENERGY -1.526540803452e+02
+FORCES -2.9696000000e-03  2.1032000000e-03  3.1032000000e-03 -2.8870000000e-04 -3.5784000000e-03 -1.5350000000e-03  3.2586000000e-03  1.4755000000e-03 -1.5684000000e-03 -1.0653000000e-03 -1.0524000000e-03 -4.5418000000e-03 -2.4728000000e-03  5.1350000000e-04  2.9788000000e-03  3.5378000000e-03  5.3860000000e-04  1.5632000000e-03
+
+JOB 0
+COORDS  4.3844100000e-01 -1.0751980000e+00  6.2896000000e-01  1.8480900000e-01 -2.0896800000e-01  3.1029300000e-01  1.0761900000e+00 -8.9917400000e-01  1.3207140000e+00 -4.0385300000e-01  9.7219000000e-01 -6.5390300000e-01 -4.4609500000e-01  1.7703260000e+00 -1.2719000000e-01 -1.2639050000e+00  9.1341300000e-01 -1.0699420000e+00
+ENERGY -1.526561717585e+02
+FORCES -6.5325000000e-03  1.6412100000e-02 -1.1429900000e-02  4.0551000000e-03 -4.1279000000e-03  7.7110000000e-03 -2.7039000000e-03  2.9533000000e-03 -2.8529000000e-03 -6.6100000000e-05 -1.1264600000e-02  5.3868000000e-03  7.0820000000e-04 -6.4076000000e-03 -1.2170000000e-03  4.5393000000e-03  2.4348000000e-03  2.4020000000e-03
+
+JOB 1
+COORDS  5.4425700000e-01  1.0229540000e+00  6.1960700000e-01  3.1166200000e-01  1.3133700000e-01  3.6047000000e-01  1.4141070000e+00  9.4009400000e-01  1.0104100000e+00 -5.7740600000e-01 -9.2671500000e-01 -5.7601300000e-01 -5.4866600000e-01 -6.2721400000e-01 -1.4846960000e+00 -7.0214700000e-01 -1.8736420000e+00 -6.3926400000e-01
+ENERGY -1.526578919443e+02
+FORCES -7.4147000000e-03 -1.4910800000e-02 -6.7825000000e-03  4.4505000000e-03  6.7446000000e-03  2.0565000000e-03 -3.0517000000e-03 -2.4736000000e-03 -1.9381000000e-03  5.3217000000e-03  9.3152000000e-03  3.1132000000e-03 -2.3650000000e-04 -3.7540000000e-03  4.5572000000e-03  9.3070000000e-04  5.0787000000e-03 -1.0063000000e-03
+
+JOB 2
+COORDS  7.4581000000e-02  7.8485000000e-02 -1.2515040000e+00  5.0241200000e-01 -6.2460200000e-01 -1.7402390000e+00  7.1958200000e-01  7.8552000000e-01 -1.2339900000e+00 -9.5639000000e-02 -1.1253900000e-01  1.2943120000e+00 -3.1543700000e-01  1.8543200000e-01  4.1162700000e-01 -7.6116500000e-01  2.8626200000e-01  1.8549060000e+00
+ENERGY -1.526562147481e+02
+FORCES  3.3371000000e-03 -5.8088000000e-03  1.2116800000e-02 -7.9140000000e-04  4.8518000000e-03  5.0760000000e-04 -4.6372000000e-03 -3.7350000000e-03  2.0830000000e-03 -1.1910000000e-04 -1.0389000000e-03 -1.7409100000e-02  7.3660000000e-04  5.9040000000e-03  7.9365000000e-03  1.4740000000e-03 -1.7310000000e-04 -5.2347000000e-03
+
+JOB 3
+COORDS  4.1638500000e-01  1.1532820000e+00 -1.4126500000e-01  9.0292000000e-02  1.6196720000e+00 -9.1092500000e-01  1.0165080000e+00  1.7706270000e+00  2.7702700000e-01 -4.5483000000e-01 -1.2372060000e+00  2.1811600000e-01 -3.0894200000e-01 -1.6783470000e+00 -6.1874900000e-01 -1.9004400000e-01 -3.3087400000e-01  6.1011000000e-02
+ENERGY -1.526566110811e+02
+FORCES -3.3169000000e-03 -1.2323100000e-02  4.0369000000e-03  2.5648000000e-03 -2.6981000000e-03  4.0860000000e-03 -3.4608000000e-03 -1.0013000000e-03 -4.3230000000e-03  8.5707000000e-03  1.7914700000e-02 -2.9185000000e-03 -3.1740000000e-04  2.9478000000e-03  1.3458000000e-03 -4.0405000000e-03 -4.8400000000e-03 -2.2272000000e-03
+
+JOB 4
+COORDS -2.6690600000e-01 -3.3635500000e-01  1.1702940000e+00 -9.5712500000e-01 -8.2338000000e-01  1.6204450000e+00  5.4793400000e-01 -7.2136800000e-01  1.4928330000e+00  2.6668000000e-01  3.5950400000e-01 -1.2798510000e+00  2.3825200000e-01 -7.2476000000e-02 -4.2614400000e-01  1.9974000000e-01  1.2929600000e+00 -1.0788270000e+00
+ENERGY -1.526559154421e+02
+FORCES -1.4456000000e-03  3.9050000000e-04 -8.8124000000e-03  4.8339000000e-03  2.5032000000e-03 -6.8940000000e-04 -4.7205000000e-03  2.1952000000e-03 -5.5266000000e-03 -6.9728000000e-03 -2.3423000000e-03  1.8951700000e-02  7.7962000000e-03 -8.2400000000e-04 -2.8957000000e-03  5.0880000000e-04 -1.9227000000e-03 -1.0276000000e-03
+
+JOB 5
+COORDS  4.0106300000e-01  1.0486570000e+00 -7.4637200000e-01  1.3454440000e+00  1.1953380000e+00 -7.9986100000e-01  2.9829800000e-01  3.9717800000e-01 -5.2652000000e-02 -4.8362300000e-01 -9.7135700000e-01  7.4049200000e-01 -7.5874600000e-01 -1.4050910000e+00 -6.7230000000e-02  3.5669300000e-01 -1.3759430000e+00  9.5592300000e-01
+ENERGY -1.526569480710e+02
+FORCES -5.2548000000e-03 -1.0314200000e-02  1.0853300000e-02 -3.2141000000e-03 -3.2594000000e-03  2.1503000000e-03  7.7815000000e-03  4.2292000000e-03 -7.0786000000e-03  6.9520000000e-04  1.0000000000e-05 -7.3100000000e-03  2.8641000000e-03  2.7550000000e-03  4.9348000000e-03 -2.8718000000e-03  6.5793000000e-03 -3.5497000000e-03
+
+JOB 6
+COORDS -6.4689100000e-01 -6.3823900000e-01  9.0602600000e-01 -1.8947100000e-01 -1.1950750000e+00  1.5360510000e+00 -1.1746430000e+00 -1.2457120000e+00  3.8767600000e-01  6.2293900000e-01  7.6809800000e-01 -9.2815100000e-01  1.3688590000e+00  3.5580800000e-01 -1.3638710000e+00  3.7249400000e-01  1.4821300000e-01 -2.4313100000e-01
+ENERGY -1.526585151470e+02
+FORCES  7.5190000000e-04  8.9140000000e-04 -4.4691000000e-03 -1.5472000000e-03  2.8001000000e-03 -5.1428000000e-03  4.6800000000e-03  2.8560000000e-03  2.8601000000e-03 -6.8231000000e-03 -8.8241000000e-03  1.2371300000e-02 -3.0850000000e-03 -7.9720000000e-04  3.0858000000e-03  6.0233000000e-03  3.0738000000e-03 -8.7053000000e-03
+
+JOB 7
+COORDS  3.3180000000e-02 -8.1150300000e-01  1.0062970000e+00  8.7305700000e-01 -1.2453310000e+00  8.5585600000e-01 -8.6715000000e-02 -8.4324400000e-01  1.9554280000e+00 -1.1224200000e-01  8.7650200000e-01 -1.0822840000e+00 -3.4318600000e-01  3.3263100000e-01 -3.2922200000e-01  8.2042500000e-01  7.1142000000e-01 -1.2205270000e+00
+ENERGY -1.526578591003e+02
+FORCES  1.9933000000e-03  3.8413000000e-03 -3.1472000000e-03 -3.7925000000e-03  2.8674000000e-03  1.1083000000e-03  1.8659000000e-03 -6.6740000000e-04 -4.6303000000e-03  2.7140000000e-03 -9.4097000000e-03  1.2870300000e-02 -1.0057000000e-03  3.6063000000e-03 -6.2182000000e-03 -1.7750000000e-03 -2.3780000000e-04  1.7200000000e-05
+
+JOB 8
+COORDS -3.7054500000e-01 -1.0222420000e+00 -7.9732700000e-01 -2.5080800000e-01 -7.2834700000e-01 -1.7003890000e+00  5.0423700000e-01 -1.2873550000e+00 -5.1324400000e-01  3.6132400000e-01  1.0670130000e+00  8.4351000000e-01 -2.8412100000e-01  7.8876900000e-01  1.4932880000e+00  1.3945200000e-01  5.6939700000e-01  5.6501000000e-02
+ENERGY -1.526576891132e+02
+FORCES  4.0105000000e-03 -9.6000000000e-04  5.5230000000e-04  4.0680000000e-04  1.1519000000e-03  6.8772000000e-03 -5.3905000000e-03  5.2283000000e-03 -1.2071000000e-03 -9.4708000000e-03 -1.0999000000e-02 -6.7298000000e-03  2.7239000000e-03  1.2376000000e-03 -6.8500000000e-04  7.7201000000e-03  4.3412000000e-03  1.1925000000e-03
+
+JOB 9
+COORDS  5.6313500000e-01  8.1857400000e-01 -8.3894000000e-01  1.1124320000e+00  3.2913000000e-01 -1.4512710000e+00  4.0203000000e-01  1.6545280000e+00 -1.2765000000e+00 -5.8769300000e-01 -8.4842200000e-01  9.6387700000e-01 -3.0884000000e-02 -2.4037000000e-01  4.7759600000e-01 -1.0817600000e+00 -1.3136450000e+00  2.8882300000e-01
+ENERGY -1.526589915167e+02
+FORCES -3.1072000000e-03 -1.1066000000e-03  2.1712000000e-03 -3.7247000000e-03  2.4357000000e-03  3.0101000000e-03  1.9251000000e-03 -4.6877000000e-03  1.1710000000e-04  3.5482000000e-03  9.1706000000e-03 -1.1489600000e-02 -2.1200000000e-05 -6.1873000000e-03  4.4640000000e-03  1.3797000000e-03  3.7540000000e-04  1.7271000000e-03
+
+JOB 10
+COORDS  2.7629000000e-02  1.3067460000e+00 -7.5106000000e-02  6.2312400000e-01  1.9882280000e+00  2.3666400000e-01  6.8606000000e-02  1.3703930000e+00 -1.0293080000e+00 -7.0542000000e-02 -1.4013000000e+00  5.9515000000e-02  2.1629100000e-01 -4.8843300000e-01  3.4333000000e-02 -3.0862200000e-01 -1.5529020000e+00  9.7415500000e-01
+ENERGY -1.526594299049e+02
+FORCES  3.6930000000e-04 -1.3551000000e-03 -2.0159000000e-03 -3.2477000000e-03 -3.6522000000e-03 -2.0500000000e-03  1.4572000000e-03 -1.6692000000e-03  6.2192000000e-03 -4.0540000000e-04  1.4902700000e-02  3.6836000000e-03  7.8780000000e-04 -8.5112000000e-03 -3.6515000000e-03  1.0388000000e-03  2.8510000000e-04 -2.1855000000e-03
+
+JOB 11
+COORDS  9.2390800000e-01 -3.3141000000e-01  8.7317000000e-01  1.6759140000e+00 -6.0284100000e-01  3.4681900000e-01  1.0346590000e+00 -7.9160300000e-01  1.7051480000e+00 -9.5129900000e-01  4.0482700000e-01 -9.3749500000e-01 -1.7747050000e+00 -6.5007000000e-02 -8.0524200000e-01 -4.3952200000e-01  2.1840900000e-01 -1.5037100000e-01
+ENERGY -1.526604487570e+02
+FORCES -1.4853000000e-03 -9.1150000000e-04 -4.1421000000e-03 -3.1458000000e-03  6.7930000000e-04  4.3153000000e-03  5.2930000000e-04  1.3158000000e-03 -4.5033000000e-03  6.8516000000e-03 -4.8579000000e-03  1.0413500000e-02  2.7534000000e-03  9.4170000000e-04  6.0670000000e-04 -5.5032000000e-03  2.8325000000e-03 -6.6901000000e-03
+
+JOB 12
+COORDS  2.8875900000e-01 -1.0717900000e-01  1.3752630000e+00  1.9739400000e-01  7.8241800000e-01  1.7165850000e+00  2.1329400000e-01 -8.9810000000e-03  4.2610800000e-01 -2.7567600000e-01  1.0279200000e-01 -1.3053980000e+00  3.5993500000e-01 -1.2462200000e-01 -1.9840100000e+00 -9.2327400000e-01 -6.0135200000e-01 -1.3374820000e+00
+ENERGY -1.526614317572e+02
+FORCES -2.1990000000e-03  4.4945000000e-03 -1.3463100000e-02  2.0160000000e-04 -2.3324000000e-03 -1.4873000000e-03  8.8700000000e-04 -2.9571000000e-03  1.0120200000e-02  4.5000000000e-06 -3.3455000000e-03  5.2850000000e-04 -3.7201000000e-03  4.9970000000e-04  3.7096000000e-03  4.8260000000e-03  3.6409000000e-03  5.9220000000e-04
+
+JOB 13
+COORDS -9.8135500000e-01 -1.0433860000e+00  9.3122000000e-02 -2.2698700000e-01 -4.6739700000e-01 -3.0958000000e-02 -1.7172630000e+00 -4.4788700000e-01  2.3473100000e-01  9.7668200000e-01  9.0712400000e-01 -1.1936500000e-01  9.9710500000e-01  1.1921810000e+00  7.9417600000e-01  1.0934370000e+00  1.7117560000e+00 -6.2450500000e-01
+ENERGY -1.526598558201e+02
+FORCES  7.1003000000e-03  1.1114800000e-02 -2.9584000000e-03 -4.8682000000e-03 -6.4128000000e-03  4.3906000000e-03  1.9583000000e-03 -1.4714000000e-03  1.6470000000e-04 -2.3733000000e-03  1.2110000000e-03 -2.8210000000e-04 -1.5934000000e-03 -1.5981000000e-03 -5.3836000000e-03 -2.2370000000e-04 -2.8434000000e-03  4.0688000000e-03
+
+JOB 14
+COORDS  2.3797800000e-01  1.1645090000e+00 -6.1869200000e-01  1.1236280000e+00  1.4349050000e+00 -8.6105700000e-01 -5.0320000000e-02  1.8244370000e+00  1.1872000000e-02 -2.3107100000e-01 -1.2763300000e+00  5.8959800000e-01 -1.8217400000e-01 -4.4306700000e-01  1.2107400000e-01 -9.8303700000e-01 -1.1793620000e+00  1.1738730000e+00
+ENERGY -1.526601247924e+02
+FORCES  3.8864000000e-03 -9.3250000000e-04  2.9536000000e-03 -4.8039000000e-03  3.4330000000e-04  1.4796000000e-03  1.2956000000e-03 -4.4226000000e-03 -2.6423000000e-03  8.5530000000e-04  1.1498200000e-02 -5.8820000000e-03 -3.6856000000e-03 -8.0635000000e-03  6.0525000000e-03  2.4522000000e-03  1.5771000000e-03 -1.9614000000e-03
+
+JOB 15
+COORDS  2.1197900000e-01  1.0578230000e+00 -9.4961800000e-01 -6.9376100000e-01  1.0318210000e+00 -1.2581510000e+00  1.9750400000e-01  5.7701800000e-01 -1.2206200000e-01 -1.2517900000e-01 -9.7218100000e-01  9.0727700000e-01 -1.0729360000e+00 -1.1059040000e+00  9.1759400000e-01  2.4008700000e-01 -1.8249570000e+00  1.1430430000e+00
+ENERGY -1.526580639712e+02
+FORCES -2.6864000000e-03 -9.9559000000e-03  7.4692000000e-03  2.0811000000e-03 -2.2650000000e-04  1.3300000000e-03 -1.2738000000e-03  7.1634000000e-03 -3.9544000000e-03  6.3090000000e-04 -1.3886000000e-03 -3.3840000000e-03  4.6752000000e-03  1.2602000000e-03 -8.2290000000e-04 -3.4269000000e-03  3.1473000000e-03 -6.3800000000e-04
+
+JOB 16
+COORDS  2.6059200000e-01  1.2914590000e+00 -2.7797200000e-01  6.7719400000e-01  1.3952760000e+00 -1.1334820000e+00 -3.4560800000e-01  2.0295630000e+00 -2.1508600000e-01 -2.8605600000e-01 -1.3511610000e+00  3.8046700000e-01  9.1303000000e-02 -2.0036950000e+00 -2.0947500000e-01 -9.7710000000e-03 -5.1014600000e-01  1.6335000000e-02
+ENERGY -1.526598563198e+02
+FORCES -3.6735000000e-03  9.9780000000e-04 -4.5800000000e-05 -2.7562000000e-03 -2.0483000000e-03  4.2877000000e-03  4.1460000000e-03 -2.3833000000e-03 -1.5596000000e-03  2.7555000000e-03  1.0501200000e-02 -3.1750000000e-03 -5.3090000000e-04  3.6858000000e-03  7.9840000000e-04  5.9000000000e-05 -1.0753300000e-02 -3.0580000000e-04
+
+JOB 17
+COORDS -2.2619100000e-01 -1.4677500000e-01 -1.3390290000e+00 -6.9973700000e-01 -9.7619100000e-01 -1.2753530000e+00  4.1576300000e-01 -2.8972400000e-01 -2.0345090000e+00  2.6703900000e-01  1.5714400000e-01  1.3602970000e+00 -4.2648100000e-01  4.6487300000e-01  7.7671800000e-01  1.1208000000e-01  6.2141500000e-01  2.1828970000e+00
+ENERGY -1.526561621896e+02
+FORCES  4.9184000000e-03 -3.8583000000e-03  9.9130000000e-04  1.1046000000e-03  4.4820000000e-03  9.0200000000e-05 -3.2052000000e-03 -2.1320000000e-04  1.9026000000e-03 -2.6962000000e-03  2.3848000000e-03 -5.9034000000e-03 -4.7060000000e-04 -1.3590000000e-03  7.4290000000e-03  3.4900000000e-04 -1.4363000000e-03 -4.5096000000e-03
+
+JOB 18
+COORDS -3.3451100000e-01  1.2228260000e+00 -7.5305200000e-01 -3.5430900000e-01  4.0400300000e-01 -1.2484000000e+00  2.8214900000e-01  1.0570780000e+00 -3.9967000000e-02  2.6551800000e-01 -1.1211940000e+00  6.9657700000e-01 -9.5394000000e-02 -1.6791650000e+00  1.3855210000e+00  1.2130770000e+00 -1.2383830000e+00  7.6462500000e-01
+ENERGY -1.526562600632e+02
+FORCES  1.6551000000e-03 -1.2037100000e-02  6.2262000000e-03 -1.0750000000e-04  4.1331000000e-03 -2.0801000000e-03  1.6107000000e-03  4.5011000000e-03 -2.5058000000e-03 -5.2160000000e-04 -1.7658000000e-03  2.5782000000e-03  2.2864000000e-03  2.3734000000e-03 -3.3227000000e-03 -4.9230000000e-03  2.7953000000e-03 -8.9580000000e-04
+
+JOB 19
+COORDS -6.2457700000e-01 -9.9926200000e-01  8.3338700000e-01 -1.0342090000e+00 -6.3422400000e-01  1.6177220000e+00 -1.1981900000e-01 -2.7349800000e-01  4.6634700000e-01  5.9430800000e-01  9.7140900000e-01 -7.9940700000e-01  1.7190300000e-01  8.4008800000e-01 -1.6482650000e+00  1.4479530000e+00  5.4753200000e-01 -8.8800100000e-01
+ENERGY -1.526612679991e+02
+FORCES  3.3559000000e-03  1.0105400000e-02 -4.1068000000e-03  1.5837000000e-03 -3.4620000000e-04 -2.8113000000e-03 -1.7019000000e-03 -8.9814000000e-03  6.2571000000e-03 -5.1730000000e-04 -2.4901000000e-03 -5.2416000000e-03  3.1388000000e-03  8.5410000000e-04  4.0322000000e-03 -5.8592000000e-03  8.5810000000e-04  1.8703000000e-03
+
+JOB 20
+COORDS  5.4028800000e-01 -8.4898500000e-01  9.3115700000e-01  1.2306700000e+00 -4.6910600000e-01  1.4745690000e+00  1.8799000000e-02 -1.3742160000e+00  1.5381280000e+00 -5.9038100000e-01  9.0872200000e-01 -9.9708000000e-01 -4.5161300000e-01  3.0390800000e-01 -2.6826200000e-01 -2.5487000000e-02  5.7708600000e-01 -1.6950360000e+00
+ENERGY -1.526611396952e+02
+FORCES  1.7488000000e-03  1.4119000000e-03  2.9432000000e-03 -3.5322000000e-03 -2.9448000000e-03 -1.9853000000e-03  2.4672000000e-03  3.4913000000e-03 -2.9861000000e-03  6.4595000000e-03 -9.0303000000e-03  5.8830000000e-03 -5.5756000000e-03  5.4066000000e-03 -5.1888000000e-03 -1.5677000000e-03  1.6653000000e-03  1.3339000000e-03
+
+JOB 21
+COORDS -8.8639000000e-01  4.8938000000e-02 -1.1191670000e+00 -4.8280000000e-01  8.6279500000e-01 -1.4208020000e+00 -1.5016760000e+00  3.2375300000e-01 -4.3936400000e-01  9.1511800000e-01 -1.7772200000e-01  1.1325020000e+00  6.5613900000e-01 -8.0385000000e-02  2.1615800000e-01  9.5724600000e-01  7.1833900000e-01  1.4664660000e+00
+ENERGY -1.526569736041e+02
+FORCES -4.5880000000e-03  3.2540000000e-03  2.7459000000e-03  9.1440000000e-04 -5.1709000000e-03  4.8105000000e-03  4.0981000000e-03 -3.0940000000e-04 -3.8520000000e-03 -4.5411000000e-03  1.6795000000e-03 -8.0526000000e-03  5.6830000000e-03  3.3944000000e-03  6.6250000000e-03 -1.5665000000e-03 -2.8476000000e-03 -2.2768000000e-03
+
+JOB 22
+COORDS  7.3361700000e-01 -3.6424000000e-02  1.1985170000e+00  1.5290310000e+00 -4.9447100000e-01  9.2696300000e-01  3.2975700000e-01 -6.1806600000e-01  1.8425830000e+00 -7.8209000000e-01  4.6949000000e-02 -1.2573720000e+00 -2.4971400000e-01 -7.4873000000e-02 -4.7126300000e-01 -8.5328800000e-01  9.9657300000e-01 -1.3542110000e+00
+ENERGY -1.526615067496e+02
+FORCES  1.4149000000e-03 -3.2110000000e-03  3.2131000000e-03 -5.6788000000e-03  2.0687000000e-03  2.2430000000e-04  2.5203000000e-03  2.6242000000e-03 -3.9473000000e-03  5.3974000000e-03  3.4880000000e-03  1.0204600000e-02 -3.7597000000e-03 -2.2308000000e-03 -9.5655000000e-03  1.0600000000e-04 -2.7391000000e-03 -1.2920000000e-04
+
+JOB 23
+COORDS  4.7317000000e-01  1.1247890000e+00  7.4348100000e-01  4.7356000000e-01  6.1187000000e-01  1.5516550000e+00 -3.1132600000e-01  1.6697250000e+00  8.0547100000e-01 -4.8561100000e-01 -1.1460430000e+00 -8.2994200000e-01  3.5353400000e-01 -1.6056400000e+00 -8.0096400000e-01 -3.5485300000e-01 -3.7287100000e-01 -2.8099900000e-01
+ENERGY -1.526592839796e+02
+FORCES -1.0358000000e-03  2.7779000000e-03  4.4538000000e-03 -1.0688000000e-03  9.8140000000e-04 -6.3556000000e-03  3.5388000000e-03 -5.0910000000e-03 -1.0901000000e-03  7.7033000000e-03  8.1646000000e-03  4.3279000000e-03 -2.8677000000e-03  5.3370000000e-04  3.9290000000e-04 -6.2697000000e-03 -7.3666000000e-03 -1.7289000000e-03
+
+JOB 24
+COORDS  1.2141400000e+00 -4.9243400000e-01 -5.1948200000e-01  1.8982910000e+00  4.1317000000e-02 -1.1540300000e-01  1.2557390000e+00 -2.7171400000e-01 -1.4499570000e+00 -1.3140640000e+00  4.5283600000e-01  5.1960100000e-01 -1.1736900000e+00  5.3865900000e-01  1.4625550000e+00 -4.3947800000e-01  3.0666300000e-01  1.5909600000e-01
+ENERGY -1.526601087894e+02
+FORCES  3.7707000000e-03  5.4420000000e-04 -3.2194000000e-03 -5.3840000000e-03 -1.8688000000e-03 -1.5022000000e-03 -5.9000000000e-04 -2.4900000000e-04  5.6736000000e-03  1.0079000000e-02 -4.8286000000e-03 -1.1740000000e-03  3.7280000000e-04  2.0600000000e-05 -2.9672000000e-03 -8.2485000000e-03  6.3816000000e-03  3.1894000000e-03
+
+JOB 25
+COORDS  8.7750200000e-01  9.9425200000e-01  7.1616600000e-01  1.3902090000e+00  5.9052400000e-01  1.5905000000e-02 -1.9180000000e-03  6.3170000000e-01  6.0935400000e-01 -9.1250000000e-01 -9.2662900000e-01 -6.3730800000e-01 -2.5205400000e-01 -1.5339050000e+00 -3.0375400000e-01 -6.2382000000e-01 -7.2304500000e-01 -1.5269420000e+00
+ENERGY -1.526573984200e+02
+FORCES -6.4733000000e-03 -5.8750000000e-03 -6.3275000000e-03 -4.9880000000e-04  4.1100000000e-04  1.8331000000e-03  5.5455000000e-03  3.5525000000e-03  4.1003000000e-03  3.7342000000e-03 -2.5250000000e-03 -3.1950000000e-03 -2.2649000000e-03  5.0363000000e-03 -1.4942000000e-03 -4.2700000000e-05 -5.9980000000e-04  5.0832000000e-03
+
+JOB 26
+COORDS -6.6587700000e-01 -2.9492600000e-01 -1.1789270000e+00 -1.6499800000e-01 -4.4587100000e-01 -1.9805300000e+00 -1.4355870000e+00 -8.5701100000e-01 -1.2674650000e+00  7.5536900000e-01  3.2858500000e-01  1.2537350000e+00  2.7362600000e-01  5.6208000000e-02  4.7273100000e-01  1.0892000000e-01  7.9441100000e-01  1.7841520000e+00
+ENERGY -1.526617588303e+02
+FORCES  5.7000000000e-05 -2.3750000000e-03 -2.4953000000e-03 -3.3853000000e-03  2.6600000000e-05  3.5824000000e-03  3.7453000000e-03  2.7962000000e-03 -3.9150000000e-04 -7.2653000000e-03 -6.6210000000e-04 -7.6382000000e-03  5.3288000000e-03  1.9203000000e-03  8.4557000000e-03  1.5197000000e-03 -1.7060000000e-03 -1.5131000000e-03
+
+JOB 27
+COORDS -1.3318830000e+00  2.7339300000e-01  6.9759200000e-01 -1.0750600000e+00 -2.6896300000e-01 -4.8145000000e-02 -5.0725500000e-01  4.8747500000e-01  1.1339270000e+00  1.2927510000e+00 -2.2681500000e-01 -6.2602300000e-01  1.0011480000e+00  2.3168400000e-01 -1.4140450000e+00  1.1273450000e+00 -1.1512550000e+00 -8.1117800000e-01
+ENERGY -1.526561823310e+02
+FORCES  1.1241900000e-02 -1.5722000000e-03 -2.7169000000e-03 -3.7479000000e-03 -3.1820000000e-04 -4.5620000000e-04 -5.1783000000e-03  6.6320000000e-04  1.5439000000e-03 -5.3380000000e-04 -8.1330000000e-04 -4.1755000000e-03  9.5000000000e-06 -3.1107000000e-03  4.3401000000e-03 -1.7914000000e-03  5.1512000000e-03  1.4647000000e-03
+
+JOB 28
+COORDS  2.6855900000e-01  3.4286500000e-01  1.3501180000e+00 -3.9985300000e-01  5.7766500000e-01  1.9938000000e+00  6.7843100000e-01 -4.4536600000e-01  1.7063880000e+00 -2.6437800000e-01 -2.7894600000e-01 -1.4622460000e+00 -1.1926600000e-01 -1.2221160000e+00 -1.3873760000e+00 -2.4099400000e-01  3.9831000000e-02 -5.5998900000e-01
+ENERGY -1.526604619383e+02
+FORCES  7.4700000000e-05 -1.9476000000e-03  4.3485000000e-03  3.4550000000e-03 -1.8247000000e-03 -3.2048000000e-03 -2.9130000000e-03  3.4959000000e-03 -2.0267000000e-03  2.0596000000e-03  1.9900000000e-04  1.0312500000e-02 -1.4350000000e-04  2.5622000000e-03  3.6300000000e-05 -2.5328000000e-03 -2.4849000000e-03 -9.4657000000e-03
+
+JOB 29
+COORDS -5.8545700000e-01  2.0101600000e-01 -1.2705020000e+00 -7.6942900000e-01  8.8724200000e-01 -1.9119690000e+00  8.6468000000e-02 -3.4060000000e-01 -1.6845070000e+00  5.8537600000e-01 -1.7892000000e-01  1.3889320000e+00  3.2402700000e-01 -1.0967810000e+00  1.3150350000e+00  3.2617500000e-01  2.1232300000e-01  5.5468100000e-01
+ENERGY -1.526599100127e+02
+FORCES  3.5330000000e-04  8.4770000000e-04 -4.8794000000e-03  1.3450000000e-03 -3.8569000000e-03  2.5475000000e-03 -3.0024000000e-03  3.1129000000e-03  3.8571000000e-03 -6.6987000000e-03 -1.2850000000e-04 -8.0922000000e-03  1.9233000000e-03  2.2543000000e-03  1.5720000000e-04  6.0795000000e-03 -2.2295000000e-03  6.4098000000e-03
+
+JOB 30
+COORDS  8.0557000000e-02  5.2506700000e-01  1.4004050000e+00 -8.8989000000e-02  2.0707400000e-01  5.1363200000e-01 -7.7459500000e-01  8.1326300000e-01  1.7196060000e+00  1.8509000000e-02 -4.8185500000e-01 -1.3227540000e+00  3.4474000000e-01 -1.3048450000e+00 -1.6867480000e+00 -8.6082600000e-01 -3.8914900000e-01 -1.6893700000e+00
+ENERGY -1.526602693516e+02
+FORCES -1.4903000000e-03 -2.9299000000e-03 -8.1937000000e-03 -2.6677000000e-03  4.6448000000e-03  9.3727000000e-03  2.2695000000e-03 -1.2978000000e-03 -2.3474000000e-03  3.6620000000e-04 -4.0567000000e-03 -2.5473000000e-03 -2.5433000000e-03  4.0833000000e-03  2.5230000000e-04  4.0656000000e-03 -4.4370000000e-04  3.4634000000e-03
+
+JOB 31
+COORDS  6.9869000000e-02 -1.0457480000e+00 -9.4160600000e-01 -1.6707800000e-01 -1.8977820000e+00 -5.7537200000e-01 -2.2004400000e-01 -1.0872230000e+00 -1.8529030000e+00 -8.9239000000e-02  1.0790770000e+00  1.0178340000e+00  4.0334200000e-01  1.8997760000e+00  1.0247430000e+00  2.7855600000e-01  5.8459100000e-01  2.8541200000e-01
+ENERGY -1.526606632959e+02
+FORCES -3.7606000000e-03 -2.9111000000e-03 -2.6610000000e-04  1.0541000000e-03  3.1630000000e-03 -3.1135000000e-03  1.2958000000e-03 -6.3550000000e-04  3.9503000000e-03  2.2482000000e-03 -3.9263000000e-03 -5.9738000000e-03 -1.4474000000e-03 -3.2214000000e-03 -1.2576000000e-03  6.0990000000e-04  7.5312000000e-03  6.6607000000e-03
+
+JOB 32
+COORDS  3.6723600000e-01  1.1788850000e+00 -9.2781200000e-01  4.2784000000e-01  7.0432400000e-01 -9.8745000000e-02  2.9384000000e-01  4.9342700000e-01 -1.5918840000e+00 -3.0508600000e-01 -1.0995160000e+00  9.2594800000e-01 -7.7369000000e-01 -1.6853300000e+00  3.3142100000e-01 -9.9559000000e-01 -6.3493800000e-01  1.3988160000e+00
+ENERGY -1.526588537730e+02
+FORCES -2.7080000000e-04 -9.9893000000e-03  4.0323000000e-03  2.3340000000e-04  7.4747000000e-03 -3.0781000000e-03 -3.3660000000e-04  2.5911000000e-03  6.8550000000e-04 -6.1771000000e-03 -1.6157000000e-03 -1.1283000000e-03  2.2966000000e-03  2.9210000000e-03  2.4224000000e-03  4.2545000000e-03 -1.3818000000e-03 -2.9339000000e-03
+
+JOB 33
+COORDS  2.3209100000e-01 -1.3956200000e+00 -4.9874200000e-01  3.5647900000e-01 -4.6219700000e-01 -6.7044300000e-01 -4.4288000000e-02 -1.7595990000e+00 -1.3397930000e+00 -1.7329700000e-01  1.3314440000e+00  5.2429900000e-01 -2.2179800000e-01  2.2470980000e+00  7.9899500000e-01 -1.0097050000e+00  9.5439000000e-01  7.9721500000e-01
+ENERGY -1.526598983478e+02
+FORCES  1.2079000000e-03  5.3086000000e-03 -2.4292000000e-03 -1.4555000000e-03 -8.2124000000e-03 -1.8641000000e-03  6.3520000000e-04  2.0438000000e-03  3.1759000000e-03 -3.2847000000e-03  1.4859000000e-03  3.6304000000e-03 -7.1970000000e-04 -4.1354000000e-03 -5.4630000000e-04  3.6169000000e-03  3.5096000000e-03 -1.9668000000e-03
+
+JOB 34
+COORDS  6.7684500000e-01  1.2551410000e+00 -1.5460900000e-01  1.2880050000e+00  1.9033970000e+00 -5.0458000000e-01  1.8291000000e-01  1.7280470000e+00  5.1518100000e-01 -7.0713200000e-01 -1.3648900000e+00  9.5664000000e-02 -2.0998300000e-01 -5.7721600000e-01 -1.2489300000e-01 -7.7928200000e-01 -1.3437910000e+00  1.0499070000e+00
+ENERGY -1.526601445418e+02
+FORCES  1.4188000000e-03  4.2889000000e-03 -3.8450000000e-04 -3.2257000000e-03 -1.5885000000e-03  2.6783000000e-03  2.5644000000e-03 -3.1019000000e-03 -2.9108000000e-03  5.2209000000e-03  6.5602000000e-03  9.7090000000e-04 -5.7186000000e-03 -6.7688000000e-03  2.5034000000e-03 -2.5970000000e-04  6.1010000000e-04 -2.8573000000e-03
+
+JOB 35
+COORDS -6.0192600000e-01 -2.6810000000e-01  1.3954950000e+00 -1.2763670000e+00 -8.7008800000e-01  1.0808980000e+00 -6.3410000000e-02 -8.7225000000e-02  6.2509400000e-01  5.6789000000e-01  2.4504900000e-01 -1.3655650000e+00  1.5138420000e+00  1.8506000000e-01 -1.2321230000e+00  3.1759300000e-01  1.0667950000e+00 -9.4329000000e-01
+ENERGY -1.526579604520e+02
+FORCES  6.6880000000e-04 -3.7321000000e-03 -9.3107000000e-03  1.7091000000e-03  2.1489000000e-03  2.1589000000e-03 -1.3255000000e-03  5.0029000000e-03  6.6794000000e-03  3.6954000000e-03  4.4600000000e-03 -2.1312000000e-03 -5.7214000000e-03  9.8300000000e-05  8.3040000000e-04  9.7350000000e-04 -7.9779000000e-03  1.7732000000e-03
+
+JOB 36
+COORDS  4.7271100000e-01  8.2264400000e-01  1.1624610000e+00  1.3359400000e+00  1.0351610000e+00  8.0763000000e-01 -1.3248200000e-01  1.3764520000e+00  6.6923700000e-01 -5.2113500000e-01 -9.2484500000e-01 -1.1218160000e+00 -5.2332700000e-01 -1.7234700000e-01 -1.7134020000e+00  1.0867000000e-02 -6.4341500000e-01 -3.7750200000e-01
+ENERGY -1.526574878207e+02
+FORCES  1.5010000000e-04  6.2455000000e-03 -3.6660000000e-04 -5.3877000000e-03 -2.7361000000e-03 -2.8800000000e-05  3.9432000000e-03 -4.2321000000e-03  5.7630000000e-04  3.5432000000e-03  4.9160000000e-03  5.2185000000e-03 -2.2900000000e-05 -1.6520000000e-03  2.9349000000e-03 -2.2259000000e-03 -2.5413000000e-03 -8.3344000000e-03
+
+JOB 37
+COORDS -3.5042000000e-01  3.9811100000e-01  1.3807440000e+00 -4.5829400000e-01 -5.3471700000e-01  1.5662890000e+00 -1.2360790000e+00  7.5732300000e-01  1.4337090000e+00  4.4155900000e-01 -4.1978900000e-01 -1.4116160000e+00  5.2265000000e-01  1.0859800000e-01 -6.1759900000e-01 -2.7963900000e-01 -1.7065000000e-02 -1.8952670000e+00
+ENERGY -1.526598979210e+02
+FORCES -5.1185000000e-03 -3.8131000000e-03  1.4171000000e-03  4.3070000000e-04  5.0934000000e-03 -6.3510000000e-04  3.8526000000e-03 -1.8555000000e-03 -6.2620000000e-04 -3.6363000000e-03  5.9123000000e-03  6.0323000000e-03  2.4440000000e-03 -3.7301000000e-03 -7.5431000000e-03  2.0276000000e-03 -1.6070000000e-03  1.3549000000e-03
+
+JOB 38
+COORDS -9.2779000000e-02 -6.7991200000e-01 -1.2833980000e+00  2.1190900000e-01 -1.0439110000e+00 -2.1146030000e+00 -6.4906700000e-01  5.7655000000e-02 -1.5339400000e+00  1.0675700000e-01  7.2104400000e-01  1.3678480000e+00 -3.7221000000e-02 -8.9785000000e-02  1.8557610000e+00  2.6172200000e-01  4.3511100000e-01  4.6759200000e-01
+ENERGY -1.526598339086e+02
+FORCES -8.7870000000e-04 -2.5300000000e-04 -5.4979000000e-03 -2.5617000000e-03  1.7883000000e-03  3.2789000000e-03  4.7386000000e-03 -3.0319000000e-03  2.7577000000e-03  9.9160000000e-04 -8.0207000000e-03 -4.6977000000e-03  3.9030000000e-04  3.1703000000e-03 -3.3640000000e-04 -2.6801000000e-03  6.3470000000e-03  4.4952000000e-03
+
+JOB 39
+COORDS  1.5832300000e-01 -1.3343790000e+00 -5.6135300000e-01  7.3671700000e-01 -1.7527710000e+00 -1.1990370000e+00 -6.8567900000e-01 -1.7697920000e+00 -6.8096700000e-01 -1.9096600000e-01  1.4119930000e+00  5.6854300000e-01  1.6774400000e-01  1.5877870000e+00  1.4384020000e+00  2.9017500000e-01  6.4365000000e-01  2.6132500000e-01
+ENERGY -1.526606080173e+02
+FORCES -3.5919000000e-03 -3.2868000000e-03 -2.9177000000e-03 -2.8417000000e-03  1.7635000000e-03  2.8668000000e-03  4.6153000000e-03  4.0320000000e-04 -2.6990000000e-04  3.0393000000e-03 -6.6215000000e-03 -4.0010000000e-04 -1.0199000000e-03 -1.1106000000e-03 -3.0062000000e-03 -2.0120000000e-04  8.8522000000e-03  3.7272000000e-03
+
+JOB 40
+COORDS -3.3674000000e-01  1.1867330000e+00  9.5474900000e-01  7.0244000000e-02  4.4076000000e-01  5.1415800000e-01 -2.8666900000e-01  9.7186700000e-01  1.8861760000e+00  3.1562700000e-01 -1.1765850000e+00 -9.3393700000e-01 -4.5865500000e-01 -1.0419510000e+00 -1.4803730000e+00  9.2995400000e-01 -4.9937700000e-01 -1.2171760000e+00
+ENERGY -1.526591310430e+02
+FORCES  1.4097000000e-03 -7.7476000000e-03  5.7480000000e-04  7.1820000000e-04  8.8588000000e-03  1.8788000000e-03 -1.0190000000e-04  7.2400000000e-04 -3.3328000000e-03 -1.9206000000e-03  6.8600000000e-04 -7.0237000000e-03  4.3776000000e-03 -6.7310000000e-04  2.6886000000e-03 -4.4829000000e-03 -1.8482000000e-03  5.2143000000e-03
+
+JOB 41
+COORDS  4.1712100000e-01 -1.3601890000e+00 -4.0974400000e-01 -2.3750100000e-01 -1.8645640000e+00  7.3276000000e-02  6.9990400000e-01 -1.9450200000e+00 -1.1127650000e+00 -3.9792800000e-01  1.4653280000e+00  4.8181600000e-01  2.4143400000e-01  7.8636700000e-01  2.6627100000e-01 -1.0122110000e+00  1.4582410000e+00 -2.5224000000e-01
+ENERGY -1.526601843545e+02
+FORCES -1.4500000000e-03 -5.1056000000e-03 -5.4530000000e-04  3.2058000000e-03  1.8119000000e-03 -3.0270000000e-03 -2.0585000000e-03  2.0749000000e-03  3.2258000000e-03  1.7227000000e-03 -6.4722000000e-03 -5.7541000000e-03 -2.4046000000e-03  6.6881000000e-03  3.3478000000e-03  9.8440000000e-04  1.0029000000e-03  2.7527000000e-03
+
+JOB 42
+COORDS -3.6024000000e-02  6.3750700000e-01 -1.3372960000e+00 -3.3798600000e-01  1.3059620000e+00 -1.9522900000e+00  8.0036700000e-01  3.4130600000e-01 -1.6963880000e+00 -4.6885000000e-02 -6.7893600000e-01  1.4324680000e+00  8.9313400000e-01 -7.0595900000e-01  1.6109780000e+00 -1.1315000000e-01 -3.1491600000e-01  5.4967100000e-01
+ENERGY -1.526598825577e+02
+FORCES  1.6690000000e-04  3.2064000000e-03 -4.7120000000e-03  2.5842000000e-03 -3.1911000000e-03  1.5342000000e-03 -3.8051000000e-03  1.3212000000e-03  2.7914000000e-03  1.7410000000e-03  4.1100000000e-03 -6.0184000000e-03 -2.8040000000e-03 -1.3100000000e-04 -1.1080000000e-03  2.1170000000e-03 -5.3155000000e-03  7.5129000000e-03
+
+JOB 43
+COORDS  1.4310990000e+00 -6.1031100000e-01 -4.4547800000e-01  7.1412900000e-01 -1.1803100000e-01 -4.5671000000e-02  1.0038970000e+00 -1.3541460000e+00 -8.7026000000e-01 -1.3579390000e+00  6.9295300000e-01  4.4672200000e-01 -1.2541960000e+00  9.2766000000e-02  1.1851290000e+00 -1.6879130000e+00  1.4374500000e-01 -2.6441800000e-01
+ENERGY -1.526572016573e+02
+FORCES -6.2772000000e-03  2.1683000000e-03  1.1810000000e-04  5.7327000000e-03 -6.5219000000e-03 -1.1102000000e-03  6.7890000000e-04  2.8242000000e-03  1.8794000000e-03 -5.9378000000e-03 -3.0381000000e-03  9.2980000000e-04  2.0354000000e-03  2.6663000000e-03 -5.4437000000e-03  3.7680000000e-03  1.9012000000e-03  3.6267000000e-03
+
+JOB 44
+COORDS  1.3027510000e+00 -5.4628700000e-01  8.3473300000e-01  7.3550500000e-01 -1.1558700000e-01  1.9523200000e-01  1.2061810000e+00 -2.4233000000e-02  1.6312030000e+00 -1.2022850000e+00  4.6922500000e-01 -8.4216900000e-01 -1.9724260000e+00 -2.5524000000e-02 -5.6228000000e-01 -1.5488100000e+00  1.3189810000e+00 -1.1143220000e+00
+ENERGY -1.526604787329e+02
+FORCES -5.3823000000e-03  4.8440000000e-03 -1.8273000000e-03  7.0159000000e-03 -3.1305000000e-03  4.8897000000e-03  4.7580000000e-04 -1.8749000000e-03 -2.2829000000e-03 -6.1215000000e-03  9.5980000000e-04 -8.6920000000e-04  3.0080000000e-03  3.1551000000e-03 -1.4862000000e-03  1.0040000000e-03 -3.9534000000e-03  1.5759000000e-03
+
+JOB 45
+COORDS  1.5333000000e-02  6.0356800000e-01 -1.5251900000e+00 -2.0682700000e-01  1.2422600000e-01 -7.2699900000e-01 -3.7473900000e-01  8.8077000000e-02 -2.2311250000e+00 -2.8627000000e-02 -5.8273000000e-01  1.4776100000e+00 -2.0565100000e-01  6.4150000000e-02  2.1605750000e+00  9.2137400000e-01 -6.9829500000e-01  1.4969580000e+00
+ENERGY -1.526608672988e+02
+FORCES -2.9622000000e-03 -4.4287000000e-03  3.4481000000e-03  1.6024000000e-03  3.3798000000e-03 -8.9316000000e-03  1.3945000000e-03  1.5721000000e-03  2.7142000000e-03  3.6638000000e-03  2.0381000000e-03  6.0240000000e-03  1.1804000000e-03 -3.2443000000e-03 -2.8306000000e-03 -4.8790000000e-03  6.8310000000e-04 -4.2410000000e-04
+
+JOB 46
+COORDS -1.7805400000e-01  1.2402360000e+00  1.0157210000e+00 -3.4522700000e-01  1.7523190000e+00  1.8069580000e+00 -4.6192400000e-01  3.5381100000e-01  1.2391080000e+00  2.2190900000e-01 -1.2520120000e+00 -1.0163350000e+00 -6.5420600000e-01 -1.0114130000e+00 -1.3176090000e+00  8.0829100000e-01 -9.2704400000e-01 -1.6995510000e+00
+ENERGY -1.526560060502e+02
+FORCES -6.2190000000e-04 -3.4614000000e-03  3.5398000000e-03  8.2500000000e-04 -2.3539000000e-03 -3.3874000000e-03 -1.1176000000e-03  5.4936000000e-03  7.0970000000e-04  2.4910000000e-04  4.4864000000e-03 -4.7865000000e-03  3.1637000000e-03 -1.7519000000e-03  2.0662000000e-03 -2.4983000000e-03 -2.4128000000e-03  1.8583000000e-03
+
+JOB 47
+COORDS -3.6643000000e-02  1.3302380000e+00 -9.8322400000e-01  2.0671300000e-01  1.3541690000e+00 -1.9086630000e+00 -1.9103000000e-02  4.0095200000e-01 -7.5441800000e-01  5.0616000000e-02 -1.2099070000e+00  1.0314190000e+00  4.5165400000e-01 -2.0440810000e+00  1.2754570000e+00 -8.0556800000e-01 -1.4498330000e+00  6.7699300000e-01
+ENERGY -1.526570191498e+02
+FORCES  2.6473000000e-03 -4.7269000000e-03 -2.4580000000e-04 -9.3680000000e-04 -4.3970000000e-04  3.6033000000e-03 -3.4180000000e-03  5.2379000000e-03 -4.9503000000e-03 -1.2675000000e-03 -5.9413000000e-03  3.0957000000e-03 -2.3246000000e-03  3.6033000000e-03 -9.0340000000e-04  5.2996000000e-03  2.2667000000e-03 -5.9950000000e-04
+
+JOB 48
+COORDS -5.9410600000e-01  1.4030230000e+00 -6.0371400000e-01 -1.2776270000e+00  1.0648270000e+00 -2.5221000000e-02 -1.0713530000e+00  1.8094560000e+00 -1.3270950000e+00  6.7122800000e-01 -1.4697280000e+00  6.2657000000e-01 -1.0403600000e-01 -9.1672700000e-01  5.2968700000e-01  1.4086610000e+00 -8.7609900000e-01  4.8504400000e-01
+ENERGY -1.526553837648e+02
+FORCES -5.5948000000e-03  2.2701000000e-03 -2.4065000000e-03  4.7919000000e-03 -1.2867000000e-03 -2.0757000000e-03  1.9922000000e-03 -1.4954000000e-03  3.5062000000e-03  5.5790000000e-04  6.9900000000e-03 -3.3205000000e-03 -4.2500000000e-05 -2.7144000000e-03  2.6678000000e-03 -1.7048000000e-03 -3.7635000000e-03  1.6287000000e-03
+
+JOB 49
+COORDS -1.1296850000e+00 -6.7645000000e-01 -1.0619480000e+00 -3.6607100000e-01 -8.5714800000e-01 -1.6101040000e+00 -1.1410580000e+00 -1.3896390000e+00 -4.2362000000e-01  1.1376840000e+00  6.8912400000e-01  1.0622120000e+00  9.9913500000e-01  1.5901870000e+00  1.3539690000e+00  3.1866500000e-01  4.4846600000e-01  6.2917300000e-01
+ENERGY -1.526591036221e+02
+FORCES  1.4003000000e-03 -6.2823000000e-03 -3.2645000000e-03 -3.7796000000e-03  1.1786000000e-03  3.2806000000e-03  8.4110000000e-04  4.9352000000e-03 -2.0897000000e-03 -5.3167000000e-03  2.8586000000e-03 -1.8684000000e-03  5.3650000000e-04 -3.3527000000e-03 -1.0376000000e-03  6.3184000000e-03  6.6260000000e-04  4.9796000000e-03
+
+JOB 50
+COORDS  6.0929000000e-01 -8.3164900000e-01  1.3345430000e+00  1.3621090000e+00 -9.6828600000e-01  1.9097190000e+00  2.8586900000e-01 -1.7132500000e+00  1.1490410000e+00 -6.7662900000e-01  9.3583300000e-01 -1.3346560000e+00 -6.1951300000e-01  5.2988400000e-01 -2.1996270000e+00  1.5055000000e-02  5.1358100000e-01 -8.2523500000e-01
+ENERGY -1.526579040122e+02
+FORCES  1.5299000000e-03 -4.8813000000e-03  4.2540000000e-03 -3.4481000000e-03  1.6400000000e-04 -2.5126000000e-03  2.0939000000e-03  3.9781000000e-03  2.4660000000e-04  3.8316000000e-03 -3.3662000000e-03  9.5280000000e-04 -2.6510000000e-04  1.1396000000e-03  3.3584000000e-03 -3.7422000000e-03  2.9658000000e-03 -6.2993000000e-03
+
+JOB 51
+COORDS -1.3070490000e+00 -1.0714540000e+00  4.0124400000e-01 -4.2097600000e-01 -1.0516010000e+00  7.6278500000e-01 -1.4865660000e+00 -2.0005150000e+00  2.5684400000e-01  1.2624130000e+00  1.1090960000e+00 -4.7962000000e-01  7.7976100000e-01  1.7773870000e+00  6.8630000000e-03  1.8032240000e+00  6.7544200000e-01  1.8045500000e-01
+ENERGY -1.526533888757e+02
+FORCES  3.8889000000e-03 -3.0954000000e-03 -8.0520000000e-04 -3.6805000000e-03 -6.6550000000e-04  7.2920000000e-04  8.3450000000e-04  3.7894000000e-03  6.3510000000e-04 -5.3200000000e-04  2.4632000000e-03  3.5468000000e-03  2.9022000000e-03 -2.9179000000e-03 -1.7129000000e-03 -3.4132000000e-03  4.2610000000e-04 -2.3929000000e-03
+
+JOB 52
+COORDS  2.3568300000e-01  8.6925400000e-01 -1.5774270000e+00 -4.6675200000e-01  3.4314200000e-01 -1.1952970000e+00  8.6273100000e-01  9.8697300000e-01 -8.6385500000e-01 -1.8297200000e-01 -8.5382200000e-01  1.4727590000e+00 -4.5164100000e-01 -8.2636000000e-02  1.9720800000e+00 -7.8444700000e-01 -1.5433060000e+00  1.7539560000e+00
+ENERGY -1.526572431240e+02
+FORCES  1.9380000000e-04 -4.1049000000e-03  6.2041000000e-03  1.2337000000e-03  3.5765000000e-03 -3.6337000000e-03 -1.8593000000e-03  1.6041000000e-03 -3.3271000000e-03 -3.2774000000e-03 -1.3302000000e-03  5.2740000000e-03  1.3194000000e-03 -3.1051000000e-03 -3.2227000000e-03  2.3899000000e-03  3.3596000000e-03 -1.2946000000e-03
+
+JOB 53
+COORDS -1.4461990000e+00  3.1127800000e-01  1.0118440000e+00 -1.0707910000e+00 -4.7280800000e-01  1.4124810000e+00 -7.3560000000e-01  9.5240200000e-01  1.0273580000e+00  1.3982520000e+00 -3.1397000000e-01 -1.0980990000e+00  1.3895110000e+00 -9.3136800000e-01 -3.6667900000e-01  1.1803220000e+00  5.2993700000e-01 -7.0242100000e-01
+ENERGY -1.526516723536e+02
+FORCES  3.3774000000e-03 -9.1700000000e-04  1.6967000000e-03 -7.9730000000e-04  3.4738000000e-03 -1.9148000000e-03 -1.6161000000e-03 -3.0441000000e-03 -1.0951000000e-03 -2.4083000000e-03  6.8230000000e-04  3.9035000000e-03  1.8550000000e-04  2.7213000000e-03 -2.2996000000e-03  1.2588000000e-03 -2.9163000000e-03 -2.9080000000e-04
+
+JOB 54
+COORDS -1.5039730000e+00  1.9576600000e-01  8.7459200000e-01 -2.3910590000e+00  2.2523900000e-01  1.2329800000e+00 -1.2510960000e+00  1.1145030000e+00  7.8399100000e-01  1.5162510000e+00 -3.0098100000e-01 -9.1999700000e-01  2.4288040000e+00 -1.2088000000e-02 -9.2451200000e-01  1.0631110000e+00  3.4373000000e-01 -3.7663400000e-01
+ENERGY -1.526533754020e+02
+FORCES -4.7779000000e-03  3.1085000000e-03  1.4652000000e-03  3.7837000000e-03 -1.0800000000e-05 -1.4380000000e-03  1.1502000000e-03 -4.4307000000e-03 -2.2500000000e-04  7.6380000000e-04  2.9356000000e-03  3.0919000000e-03 -3.8876000000e-03 -1.1755000000e-03  2.4900000000e-05  2.9678000000e-03 -4.2710000000e-04 -2.9190000000e-03
+
+JOB 55
+COORDS -6.1566900000e-01 -1.6248960000e+00  6.2367100000e-01 -1.1575720000e+00 -2.0227270000e+00 -5.7727000000e-02 -4.9827500000e-01 -7.1876800000e-01  3.3839400000e-01  6.1505400000e-01  1.5742590000e+00 -5.0564400000e-01  5.9118400000e-01  1.0933380000e+00 -1.3329150000e+00  1.0436880000e+00  2.4023910000e+00 -7.2175400000e-01
+ENERGY -1.526563772640e+02
+FORCES -1.4360000000e-03  3.5449000000e-03 -2.5430000000e-03  2.4477000000e-03  1.7454000000e-03  2.2242000000e-03 -1.5473000000e-03 -6.7471000000e-03 -3.3170000000e-04  3.4828000000e-03  3.9111000000e-03 -4.0808000000e-03 -1.2235000000e-03  1.1153000000e-03  4.4879000000e-03 -1.7236000000e-03 -3.5696000000e-03  2.4340000000e-04
+
+JOB 56
+COORDS  1.1843390000e+00 -1.2203100000e+00 -5.1979700000e-01  2.0247410000e+00 -7.7394900000e-01 -4.1626300000e-01  1.2413380000e+00 -1.6435700000e+00 -1.3764380000e+00 -1.2004980000e+00  1.1764960000e+00  5.2096700000e-01 -1.8973890000e+00  1.7860530000e+00  2.7803600000e-01 -1.0584760000e+00  1.3340070000e+00  1.4543760000e+00
+ENERGY -1.526521837149e+02
+FORCES  2.7443000000e-03  1.3207000000e-03 -3.4197000000e-03 -3.0875000000e-03 -2.1546000000e-03 -6.9700000000e-05 -1.7990000000e-04  1.4931000000e-03  3.4895000000e-03 -2.0177000000e-03  2.3332000000e-03  3.2603000000e-03  3.0609000000e-03 -2.7579000000e-03  6.2810000000e-04 -5.2010000000e-04 -2.3450000000e-04 -3.8885000000e-03
+
+JOB 57
+COORDS  1.4339600000e-01  1.5003810000e+00 -1.1471320000e+00  5.5360800000e-01  1.4191990000e+00 -2.8610500000e-01 -6.4292200000e-01  9.5749200000e-01 -1.0904920000e+00 -9.2167000000e-02 -1.3958980000e+00  1.0952830000e+00  2.8858200000e-01 -2.2327860000e+00  1.3615150000e+00 -9.7495600000e-01 -1.6173460000e+00  7.9884200000e-01
+ENERGY -1.526560307578e+02
+FORCES -7.4250000000e-04 -4.3765000000e-03  5.1710000000e-03 -1.3335000000e-03  2.5068000000e-03 -4.1373000000e-03  1.7025000000e-03  2.5075000000e-03 -1.1685000000e-03 -1.3624000000e-03 -5.8922000000e-03  4.0140000000e-04 -1.9309000000e-03  3.4329000000e-03 -9.8170000000e-04  3.6668000000e-03  1.8215000000e-03  7.1500000000e-04
+
+JOB 58
+COORDS  4.2105000000e-01 -1.7875230000e+00  1.0685600000e-01  1.8136600000e-01 -1.3628820000e+00 -7.1683400000e-01  1.3470270000e+00 -2.0067640000e+00  3.2670000000e-03 -4.7960300000e-01  1.7611110000e+00  1.2268000000e-02  4.0481900000e-01  1.7203370000e+00 -3.5155700000e-01 -1.0287480000e+00  2.0358100000e+00 -7.2204300000e-01
+ENERGY -1.526529527783e+02
+FORCES  1.5777000000e-03  1.4253000000e-03 -3.3179000000e-03  1.9399000000e-03 -2.4528000000e-03  2.4598000000e-03 -3.7324000000e-03  1.4468000000e-03  3.9710000000e-04  1.6062000000e-03  1.6363000000e-03 -3.1435000000e-03 -3.8580000000e-03 -1.3590000000e-04  6.8140000000e-04  2.4667000000e-03 -1.9197000000e-03  2.9231000000e-03
+
+JOB 59
+COORDS -5.1480000000e-01 -1.2945810000e+00 -1.1037920000e+00 -9.6099000000e-02 -2.1474410000e+00 -1.2202010000e+00 -1.0347110000e+00 -1.1720600000e+00 -1.8980930000e+00  5.0084500000e-01  1.3116470000e+00  1.2137440000e+00  1.1901880000e+00  9.7416800000e-01  6.4177700000e-01  1.5085100000e-01  2.0699740000e+00  7.4611400000e-01
+ENERGY -1.526539320020e+02
+FORCES -1.4518000000e-03 -3.6749000000e-03 -3.3264000000e-03 -1.4285000000e-03  3.9206000000e-03  4.7330000000e-04  2.3762000000e-03 -2.1400000000e-04  3.3549000000e-03  2.6520000000e-04 -3.9580000000e-04 -5.8916000000e-03 -1.2040000000e-03  2.6275000000e-03  3.2757000000e-03  1.4429000000e-03 -2.2634000000e-03  2.1140000000e-03
+
+JOB 60
+COORDS  1.0826730000e+00 -6.3829400000e-01 -1.4059720000e+00  1.0221240000e+00  2.2870000000e-03 -2.1146480000e+00  1.0557960000e+00 -1.1398100000e-01 -6.0559400000e-01 -1.0517840000e+00  5.2463700000e-01  1.4517830000e+00 -1.3937750000e+00  2.7304200000e-01  5.9389400000e-01 -1.1348780000e+00  1.4779860000e+00  1.4730850000e+00
+ENERGY -1.526561613820e+02
+FORCES  1.2488000000e-03  4.3326000000e-03  1.2739000000e-03 -4.0310000000e-04 -2.4793000000e-03  3.1273000000e-03 -1.7240000000e-04 -2.1398000000e-03 -5.6284000000e-03 -4.2755000000e-03  2.2542000000e-03 -2.1435000000e-03  2.5889000000e-03  2.2277000000e-03  4.0089000000e-03  1.0133000000e-03 -4.1955000000e-03 -6.3820000000e-04
+
+JOB 61
+COORDS -5.7869000000e-02 -1.2999700000e+00 -1.3680470000e+00  5.9011700000e-01 -6.3060700000e-01 -1.1482770000e+00 -2.4279800000e-01 -1.1592600000e+00 -2.2966120000e+00  1.7152000000e-02  1.2804340000e+00  1.4697250000e+00  7.2737000000e-01  6.8564500000e-01  1.2287920000e+00 -4.5800800000e-01  1.4303420000e+00  6.5242300000e-01
+ENERGY -1.526531277560e+02
+FORCES  2.0313000000e-03  2.0772000000e-03 -4.2078000000e-03 -3.1550000000e-03 -1.8495000000e-03  6.7490000000e-04  6.9730000000e-04 -4.3020000000e-04  4.2897000000e-03 -4.1690000000e-04 -2.8395000000e-03 -3.5698000000e-03 -2.2977000000e-03  2.9306000000e-03 -3.3310000000e-04  3.1410000000e-03  1.1140000000e-04  3.1461000000e-03
+
+JOB 62
+COORDS  8.4304000000e-02  1.6478650000e+00 -1.1244740000e+00 -4.7995300000e-01  9.2826600000e-01 -8.4159100000e-01  7.7830500000e-01  1.6817200000e+00 -4.6610700000e-01 -9.6838000000e-02 -1.6284090000e+00  1.0071200000e+00 -6.3156500000e-01 -9.5247700000e-01  1.4235530000e+00  4.8293400000e-01 -1.9382560000e+00  1.7028870000e+00
+ENERGY -1.526549553607e+02
+FORCES  1.3789000000e-03 -4.5687000000e-03  3.2282000000e-03  1.0368000000e-03  4.4959000000e-03 -5.2540000000e-04 -2.9562000000e-03  8.5880000000e-04 -2.2637000000e-03  4.0640000000e-04 -5.1280000000e-04  5.7201000000e-03  2.7314000000e-03 -1.7859000000e-03 -3.2259000000e-03 -2.5973000000e-03  1.5127000000e-03 -2.9334000000e-03
+
+JOB 63
+COORDS -1.3754670000e+00 -2.2468900000e-01  1.4349230000e+00 -1.6657950000e+00 -5.1285800000e-01  5.6953300000e-01 -1.3732080000e+00  7.3100900000e-01  1.3813720000e+00  1.3414700000e+00  2.2800900000e-01 -1.3810160000e+00  1.2794440000e+00 -6.9714300000e-01 -1.1433630000e+00  2.2694560000e+00  3.6517800000e-01 -1.5714350000e+00
+ENERGY -1.526553501045e+02
+FORCES -5.7480000000e-04  3.9157000000e-03 -4.4307000000e-03  1.0698000000e-03  1.8150000000e-04  3.7078000000e-03 -8.3100000000e-04 -3.8892000000e-03  1.0363000000e-03  4.1772000000e-03 -3.3854000000e-03  8.5800000000e-04 -8.5800000000e-05  3.7451000000e-03 -1.8983000000e-03 -3.7553000000e-03 -5.6770000000e-04  7.2680000000e-04
+
+JOB 64
+COORDS -6.5293000000e-01  2.2195400000e-01 -1.8219790000e+00 -9.6728900000e-01  1.6852300000e-01 -2.7245060000e+00 -1.2927200000e-01 -5.7041200000e-01 -1.7029400000e+00  6.9113500000e-01 -1.3102700000e-01  1.8398430000e+00 -2.1321300000e-01 -2.1186600000e-01  1.5367710000e+00  7.4225400000e-01 -7.1066000000e-01  2.5998720000e+00
+ENERGY -1.526552739282e+02
+FORCES  1.7696000000e-03 -2.9851000000e-03 -3.8943000000e-03  1.3628000000e-03  1.2950000000e-04  3.6967000000e-03 -3.3091000000e-03  2.9984000000e-03 -5.3610000000e-04 -4.1093000000e-03 -1.5622000000e-03  1.9822000000e-03  4.4382000000e-03 -8.4370000000e-04  2.0066000000e-03 -1.5220000000e-04  2.2631000000e-03 -3.2550000000e-03
+
+JOB 65
+COORDS -7.6301400000e-01 -5.4789000000e-02  1.8212140000e+00  1.5992100000e-01  1.2930600000e-01  1.6464780000e+00 -7.7445800000e-01 -3.9669800000e-01  2.7151930000e+00  7.6488700000e-01  3.6519000000e-02 -1.8325280000e+00 -8.2386000000e-02  2.8080400000e-01 -1.4601230000e+00  6.9598400000e-01  2.6885900000e-01 -2.7585420000e+00
+ENERGY -1.526562455150e+02
+FORCES  4.0970000000e-03 -1.2606000000e-03  3.6004000000e-03 -4.7001000000e-03 -3.7740000000e-04  8.2940000000e-04  1.3820000000e-04  1.4965000000e-03 -3.4449000000e-03 -4.4406000000e-03  1.5751000000e-03 -2.5835000000e-03  4.6786000000e-03 -4.8270000000e-04 -2.0409000000e-03  2.2690000000e-04 -9.5090000000e-04  3.6394000000e-03
+
+JOB 66
+COORDS -3.4627200000e-01 -1.9635400000e+00  4.2810000000e-01 -9.2460000000e-02 -1.8809140000e+00  1.3473300000e+00  4.5153300000e-01 -1.7606100000e+00 -6.0326000000e-02  2.4565300000e-01  1.9476970000e+00 -4.0126900000e-01  6.3178800000e-01  1.1872500000e+00 -8.3584000000e-01  6.4215500000e-01  2.7011130000e+00 -8.3874300000e-01
+ENERGY -1.526532985085e+02
+FORCES  3.8107000000e-03  1.3147000000e-03  2.7927000000e-03 -8.7570000000e-04 -9.3480000000e-04 -3.9691000000e-03 -3.1749000000e-03  2.2200000000e-05  1.2192000000e-03  2.4103000000e-03  3.6500000000e-05 -4.0186000000e-03 -4.9690000000e-04  2.7938000000e-03  2.0371000000e-03 -1.6734000000e-03 -3.2324000000e-03  1.9388000000e-03
+
+JOB 67
+COORDS  1.2674700000e-01  1.2579130000e+00 -1.6296080000e+00  8.0559000000e-02  2.0290750000e+00 -1.0644470000e+00  5.6400200000e-01  5.9477600000e-01 -1.0954840000e+00 -1.2735300000e-01 -1.2093370000e+00  1.5505010000e+00 -9.4143300000e-01 -1.6852250000e+00  1.3860710000e+00  3.5691600000e-01 -1.7658020000e+00  2.1604690000e+00
+ENERGY -1.526567415225e+02
+FORCES  1.5168000000e-03 -3.8540000000e-04  5.7857000000e-03  1.6240000000e-04 -2.4184000000e-03 -2.6686000000e-03 -1.2088000000e-03  3.5337000000e-03 -4.0446000000e-03 -2.0709000000e-03 -4.8584000000e-03  2.5509000000e-03  3.6814000000e-03  1.8085000000e-03  9.6880000000e-04 -2.0809000000e-03  2.3201000000e-03 -2.5922000000e-03
+
+JOB 68
+COORDS -9.1738400000e-01 -4.5406400000e-01  1.9384180000e+00 -1.1302470000e+00  4.7563800000e-01  1.8573250000e+00 -1.0173200000e-01 -5.5715800000e-01  1.4481980000e+00  8.6419600000e-01  3.4481300000e-01 -1.9221010000e+00  3.8152000000e-01  1.1656880000e+00 -1.8250390000e+00  1.7726290000e+00  5.7626000000e-01 -1.7286760000e+00
+ENERGY -1.526546152599e+02
+FORCES  2.5669000000e-03  2.7802000000e-03 -3.3605000000e-03  8.2290000000e-04 -3.3898000000e-03  4.4410000000e-04 -3.2437000000e-03  7.6150000000e-04  3.4277000000e-03  1.8747000000e-03  4.5597000000e-03 -7.4680000000e-04  2.1323000000e-03 -3.5797000000e-03  3.6820000000e-04 -4.1532000000e-03 -1.1318000000e-03 -1.3260000000e-04
+
+JOB 69
+COORDS  5.4746900000e-01  1.4766610000e+00 -1.5451930000e+00  1.4733700000e+00  1.6385610000e+00 -1.3642850000e+00  3.9991700000e-01  5.7671300000e-01 -1.2544140000e+00 -5.7486100000e-01 -1.4565430000e+00  1.5835480000e+00 -1.3810560000e+00 -1.0454590000e+00  1.2716310000e+00 -2.0085000000e-02 -1.5174120000e+00  8.0589100000e-01
+ENERGY -1.526530167796e+02
+FORCES  3.7929000000e-03 -2.2974000000e-03  1.9652000000e-03 -4.0132000000e-03 -8.7320000000e-04 -9.4750000000e-04  1.0130000000e-04  2.8154000000e-03 -8.1820000000e-04 -1.7726000000e-03  1.0935000000e-03 -3.6790000000e-03  3.8942000000e-03 -1.9585000000e-03  1.0136000000e-03 -2.0026000000e-03  1.2202000000e-03  2.4659000000e-03
+
+JOB 70
+COORDS -3.8229600000e-01 -2.1694790000e+00  6.6241500000e-01 -2.7231700000e-01 -2.8303470000e+00 -2.1245000000e-02  4.3420200000e-01 -1.6701510000e+00  6.4709000000e-01  3.3872200000e-01  2.1235720000e+00 -5.9114400000e-01  3.6548000000e-02  2.9500680000e+00 -2.1454400000e-01  4.8526000000e-01  2.3207540000e+00 -1.5162800000e+00
+ENERGY -1.526545762099e+02
+FORCES  3.8424000000e-03  5.8760000000e-04 -3.0464000000e-03 -4.8510000000e-04  2.4354000000e-03  2.6831000000e-03 -3.0593000000e-03 -3.2931000000e-03  3.8980000000e-04 -1.3453000000e-03  4.4403000000e-03 -2.1255000000e-03  1.4392000000e-03 -3.2590000000e-03 -1.6836000000e-03 -3.9190000000e-04 -9.1110000000e-04  3.7828000000e-03
+
+JOB 71
+COORDS -1.1562160000e+00  9.4671600000e-01  1.7662350000e+00 -1.4212600000e+00  1.7994430000e+00  1.4215030000e+00 -1.8682690000e+00  3.5638600000e-01  1.5198170000e+00  1.1434690000e+00 -9.7895100000e-01 -1.7365140000e+00  1.8975600000e+00 -1.4961710000e+00 -2.0194660000e+00  1.5229030000e+00 -1.7207800000e-01 -1.3883520000e+00
+ENERGY -1.526546458086e+02
+FORCES -4.3012000000e-03  4.1890000000e-04 -2.6514000000e-03  1.3438000000e-03 -3.3278000000e-03  1.3787000000e-03  2.6435000000e-03  2.7762000000e-03  1.4284000000e-03  4.6456000000e-03  1.3372000000e-03  1.0340000000e-03 -3.0504000000e-03  2.0586000000e-03  1.0521000000e-03 -1.2813000000e-03 -3.2630000000e-03 -2.2419000000e-03
+
+JOB 72
+COORDS -6.2609100000e-01 -1.2978900000e-01 -2.5245810000e+00  3.0259000000e-01 -1.8778100000e-01 -2.3000380000e+00 -1.0790390000e+00 -1.5904000000e-01 -1.6818390000e+00  5.5440800000e-01  1.2525900000e-01  2.4156680000e+00  1.3422930000e+00  6.6738600000e-01  2.3760620000e+00  5.6886100000e-01 -2.5532000000e-01  3.2938380000e+00
+ENERGY -1.526552078049e+02
+FORCES  1.8750000000e-03 -4.5810000000e-04  5.0796000000e-03 -3.4613000000e-03  3.3840000000e-04 -1.3781000000e-03  1.5425000000e-03  1.3840000000e-04 -4.0889000000e-03  3.2486000000e-03  7.0660000000e-04  4.1161000000e-03 -3.2394000000e-03 -2.3552000000e-03 -1.0070000000e-04  3.4700000000e-05  1.6298000000e-03 -3.6280000000e-03
+
+JOB 73
+COORDS -1.0856020000e+00 -2.1763050000e+00 -1.1089930000e+00 -4.5401200000e-01 -2.3667030000e+00 -4.1539700000e-01 -1.2796870000e+00 -1.2444810000e+00 -1.0076600000e+00  1.0326530000e+00  2.1018740000e+00  1.0067130000e+00  1.9156480000e+00  2.4553770000e+00  1.1143570000e+00  6.2314400000e-01  2.2136950000e+00  1.8646350000e+00
+ENERGY -1.526550520293e+02
+FORCES  2.2332000000e-03  3.6763000000e-03  3.2025000000e-03 -2.6786000000e-03  2.5410000000e-04 -2.6957000000e-03  2.1610000000e-04 -4.2136000000e-03 -5.1460000000e-04  2.3279000000e-03  2.5159000000e-03  3.9375000000e-03 -3.6943000000e-03 -1.4914000000e-03 -3.1130000000e-04  1.5957000000e-03 -7.4130000000e-04 -3.6185000000e-03
+
+JOB 74
+COORDS -1.9141700000e-01  1.9985960000e+00 -1.6501660000e+00 -2.7085500000e-01  2.5146750000e+00 -2.4524030000e+00 -4.8746400000e-01  1.1227060000e+00 -1.8979670000e+00  2.0771800000e-01 -2.0122020000e+00  1.7724080000e+00  2.7013500000e-01 -2.3789290000e+00  8.9045100000e-01  2.2771100000e-01 -1.0643910000e+00  1.6401740000e+00
+ENERGY -1.526543158352e+02
+FORCES -1.6992000000e-03 -8.0160000000e-04 -4.7911000000e-03  3.1160000000e-04 -2.2339000000e-03  3.2926000000e-03  1.4810000000e-03  3.2160000000e-03  1.5265000000e-03  6.1580000000e-04  2.7206000000e-03 -3.8438000000e-03 -4.5000000000e-04  1.4671000000e-03  3.3702000000e-03 -2.5920000000e-04 -4.3682000000e-03  4.4550000000e-04
+
+JOB 75
+COORDS  7.5462300000e-01  1.5384410000e+00 -2.1007400000e+00  4.2466900000e-01  6.8067200000e-01 -1.8331710000e+00  1.4272400000e+00  1.7494970000e+00 -1.4532270000e+00 -7.9142900000e-01 -1.4358360000e+00  2.0498960000e+00 -1.7524000000e-01 -1.8799820000e+00  2.6323720000e+00 -1.0878460000e+00 -2.1188160000e+00  1.4483090000e+00
+ENERGY -1.526545410754e+02
+FORCES  1.0547000000e-03 -2.5675000000e-03  4.4115000000e-03  1.4694000000e-03  3.2696000000e-03 -1.7077000000e-03 -2.4161000000e-03 -7.5690000000e-04 -2.9145000000e-03  8.2160000000e-04 -4.9082000000e-03  6.3030000000e-04 -2.4495000000e-03  1.9121000000e-03 -2.5888000000e-03  1.5199000000e-03  3.0510000000e-03  2.1693000000e-03
+
+JOB 76
+COORDS -7.5042100000e-01  2.3918920000e+00 -8.4492700000e-01 -1.0744680000e+00  3.1641290000e+00 -3.8138200000e-01 -3.8112300000e-01  2.7372560000e+00 -1.6576840000e+00  6.8511900000e-01 -2.4691490000e+00  8.9146200000e-01  1.5129420000e+00 -2.3328800000e+00  1.3523020000e+00  9.0298900000e-01 -2.3515150000e+00 -3.3160000000e-02
+ENERGY -1.526538623736e+02
+FORCES -1.3500000000e-04  4.6096000000e-03 -1.1531000000e-03  1.4016000000e-03 -3.0775000000e-03 -2.0024000000e-03 -1.3660000000e-03 -1.5749000000e-03  3.3010000000e-03  3.9556000000e-03  1.8280000000e-03 -2.0996000000e-03 -3.2393000000e-03 -7.7960000000e-04 -1.7617000000e-03 -6.1680000000e-04 -1.0057000000e-03  3.7158000000e-03
+
+JOB 77
+COORDS -1.2128800000e-01  1.4482200000e-01 -2.9446040000e+00  7.7375000000e-02  2.8624100000e-01 -2.0189870000e+00 -9.9766100000e-01 -2.4014500000e-01 -2.9458690000e+00  1.9255500000e-01 -8.2919000000e-02  2.9205300000e+00  3.2979400000e-01 -3.8240500000e-01  2.0218050000e+00 -5.1494800000e-01 -6.3572500000e-01  3.2523070000e+00
+ENERGY -1.526535101526e+02
+FORCES -2.8551000000e-03 -6.0340000000e-04  3.4415000000e-03 -8.0430000000e-04 -1.0186000000e-03 -3.4815000000e-03  3.7112000000e-03  1.4697000000e-03  1.9270000000e-04 -2.1651000000e-03 -3.7124000000e-03 -1.7852000000e-03 -7.9420000000e-04  1.5114000000e-03  3.1826000000e-03  2.9075000000e-03  2.3534000000e-03 -1.5501000000e-03
+
+JOB 78
+COORDS  1.6809700000e-01  2.7410330000e+00  8.7056500000e-01  7.6203400000e-01  3.2125450000e+00  1.4546430000e+00  6.1098100000e-01  2.7471040000e+00  2.2008000000e-02 -2.3991500000e-01 -2.7376890000e+00 -8.0071400000e-01  3.7896700000e-01 -3.4525440000e+00 -9.4971000000e-01 -6.2704300000e-01 -2.5723200000e+00 -1.6603750000e+00
+ENERGY -1.526536409265e+02
+FORCES  4.3014000000e-03  1.4489000000e-03 -1.0404000000e-03 -2.4345000000e-03 -1.8086000000e-03 -2.3737000000e-03 -1.8275000000e-03  2.6450000000e-04  3.3574000000e-03  7.3440000000e-04 -2.1605000000e-03 -3.9858000000e-03 -2.4738000000e-03  2.9581000000e-03  6.0900000000e-04  1.7000000000e-03 -7.0240000000e-04  3.4335000000e-03
+
+JOB 79
+COORDS -1.1855600000e-01 -1.4440390000e+00 -2.5995230000e+00  6.7617900000e-01 -1.8640550000e+00 -2.2705630000e+00 -4.9528100000e-01 -1.0102950000e+00 -1.8339020000e+00  8.3485000000e-02  1.4518740000e+00  2.5971150000e+00  8.6404700000e-01  1.5748740000e+00  2.0569070000e+00 -5.9842500000e-01  1.1917120000e+00  1.9778040000e+00
+ENERGY -1.526535326929e+02
+FORCES  1.6773000000e-03 -4.0670000000e-04  4.2381000000e-03 -3.3169000000e-03  1.9657000000e-03 -1.2790000000e-03  1.6355000000e-03 -1.4001000000e-03 -2.8931000000e-03  3.7350000000e-04 -3.5300000000e-05 -4.4127000000e-03 -3.3439000000e-03 -8.2910000000e-04  2.0858000000e-03  2.9744000000e-03  7.0550000000e-04  2.2608000000e-03
+
+JOB 80
+COORDS -6.2534400000e-01 -1.5617120000e+00  2.5017750000e+00 -1.4390650000e+00 -1.8004650000e+00  2.0578310000e+00  6.6619000000e-02 -1.8830320000e+00  1.9236980000e+00  6.0983000000e-01  1.6402960000e+00 -2.4092320000e+00  1.3146900000e+00  1.0267330000e+00 -2.2020010000e+00  3.1186100000e-01  1.3781860000e+00 -3.2802910000e+00
+ENERGY -1.526537968196e+02
+FORCES -6.5990000000e-04 -1.9552000000e-03 -4.2716000000e-03  3.3574000000e-03  7.6970000000e-04  1.8743000000e-03 -2.6775000000e-03  1.1892000000e-03  2.3149000000e-03  1.7931000000e-03 -3.2664000000e-03 -2.7444000000e-03 -2.9896000000e-03  2.2944000000e-03 -8.2300000000e-04  1.1765000000e-03  9.6830000000e-04  3.6498000000e-03
+
+JOB 81
+COORDS  4.4434700000e-01 -2.8196190000e+00  6.6548300000e-01  7.7562400000e-01 -3.0764730000e+00  1.5260140000e+00  1.5546300000e-01 -3.6396110000e+00  2.6499500000e-01 -4.1729500000e-01  2.8346400000e+00 -7.3072600000e-01 -2.5982500000e-01  2.9662000000e+00  2.0422100000e-01 -1.1188310000e+00  3.4496580000e+00 -9.4480900000e-01
+ENERGY -1.526536069347e+02
+FORCES  1.6780000000e-04 -4.3315000000e-03  1.6167000000e-03 -1.3727000000e-03  1.1214000000e-03 -3.4426000000e-03  1.1825000000e-03  3.2932000000e-03  1.7166000000e-03 -2.1880000000e-03  2.5820000000e-03  3.1165000000e-03 -6.4270000000e-04 -2.1150000000e-04 -3.8148000000e-03  2.8531000000e-03 -2.4535000000e-03  8.0760000000e-04
+
+JOB 82
+COORDS -7.9345900000e-01  2.8836690000e+00  1.0802440000e+00 -4.3205100000e-01  3.1952330000e+00  2.5045900000e-01 -3.2742200000e-01  2.0656030000e+00  1.2528980000e+00  7.2471700000e-01 -2.8996600000e+00 -1.0820990000e+00  8.1010100000e-01 -2.9309180000e+00 -1.2922800000e-01  1.0372070000e+00 -2.0274460000e+00 -1.3225650000e+00
+ENERGY -1.526535619549e+02
+FORCES  3.1770000000e-03 -1.8397000000e-03 -2.6643000000e-03 -1.3829000000e-03 -1.4433000000e-03  3.4389000000e-03 -1.7476000000e-03  3.1684000000e-03 -8.0970000000e-04  1.6233000000e-03  3.0771000000e-03  2.8121000000e-03 -3.3740000000e-04  3.8350000000e-04 -3.9380000000e-03 -1.3324000000e-03 -3.3460000000e-03  1.1610000000e-03
+
+JOB 83
+COORDS -4.0155000000e-01 -2.3724970000e+00  2.1426870000e+00 -5.1858000000e-02 -2.4975020000e+00  3.0249120000e+00 -3.2895600000e-01 -3.2338190000e+00  1.7314860000e+00  4.3523000000e-01  2.4313670000e+00 -2.1364160000e+00  2.6191000000e-02  3.1362350000e+00 -2.6384910000e+00 -1.6853500000e-01  1.6936320000e+00 -2.2227120000e+00
+ENERGY -1.526540980267e+02
+FORCES  1.9379000000e-03 -3.9115000000e-03  2.0469000000e-03 -1.5002000000e-03  4.1730000000e-04 -3.5872000000e-03 -3.8590000000e-04  3.5197000000e-03  1.6007000000e-03 -4.2423000000e-03 -3.5740000000e-04 -2.0646000000e-03  1.6996000000e-03 -2.8154000000e-03  1.9900000000e-03  2.4909000000e-03  3.1473000000e-03  1.4100000000e-05
+
+JOB 84
+COORDS  4.1631000000e-01  1.0948630000e+00  3.1424110000e+00  1.3126000000e+00  1.1064630000e+00  3.4782120000e+00 -8.4461000000e-02  1.6071620000e+00  3.7772420000e+00 -4.7111500000e-01 -1.1269010000e+00 -3.2621020000e+00 -8.9490700000e-01 -1.1741870000e+00 -2.4051330000e+00  4.6380600000e-01 -1.0704430000e+00 -3.0647020000e+00
+ENERGY -1.526545210192e+02
+FORCES  1.5667000000e-03  2.2768000000e-03  4.1334000000e-03 -3.6462000000e-03 -9.7000000000e-05 -1.4468000000e-03  2.0734000000e-03 -2.1207000000e-03 -2.5941000000e-03  2.0630000000e-03  2.0210000000e-04  4.5984000000e-03  1.6406000000e-03  4.6500000000e-05 -3.7023000000e-03 -3.6976000000e-03 -3.0780000000e-04 -9.8870000000e-04
+
+JOB 85
+COORDS  8.7611600000e-01 -2.1973110000e+00 -2.7367010000e+00  7.9344000000e-02 -2.6332220000e+00 -3.0389710000e+00  6.5157200000e-01 -1.2668750000e+00 -2.7266480000e+00 -7.7786100000e-01  2.1796450000e+00  2.8043280000e+00 -7.9335400000e-01  2.6763630000e+00  1.9862430000e+00 -1.4650440000e+00  1.5217330000e+00  2.6986730000e+00
+ENERGY -1.526538296903e+02
+FORCES -4.0318000000e-03  1.9429000000e-03 -1.2552000000e-03  3.2206000000e-03  1.8434000000e-03  1.2894000000e-03  8.0330000000e-04 -3.7577000000e-03  8.2000000000e-06 -2.8045000000e-03 -7.0130000000e-04 -3.6345000000e-03  3.7200000000e-05 -2.0678000000e-03  3.2497000000e-03  2.7753000000e-03  2.7405000000e-03  3.4250000000e-04
+
+JOB 86
+COORDS -1.4129620000e+00  2.9235800000e+00 -1.5214480000e+00 -1.3316790000e+00  3.4647100000e+00 -7.3607900000e-01 -2.3543680000e+00  2.7791610000e+00 -1.6170020000e+00  1.4291830000e+00 -2.9091820000e+00  1.4372800000e+00  1.2990080000e+00 -3.8374830000e+00  1.6310430000e+00  2.1597170000e+00 -2.6472180000e+00  1.9975700000e+00
+ENERGY -1.526538307042e+02
+FORCES -3.4502000000e-03  1.3045000000e-03  2.9505000000e-03 -3.4110000000e-04 -2.0632000000e-03 -3.2370000000e-03  3.7884000000e-03  7.1140000000e-04  3.2780000000e-04  2.5138000000e-03 -2.6446000000e-03  2.9418000000e-03  4.9440000000e-04  3.7858000000e-03 -7.6580000000e-04 -3.0053000000e-03 -1.0938000000e-03 -2.2172000000e-03
+
+JOB 87
+COORDS -1.3026600000e+00  3.0384350000e+00 -2.3239340000e+00 -1.3189160000e+00  3.4846210000e+00 -1.4772420000e+00 -1.8267840000e+00  3.5958820000e+00 -2.8990670000e+00  1.3461120000e+00 -3.1169850000e+00  2.3652860000e+00  5.0375100000e-01 -2.8036630000e+00  2.0359100000e+00  1.9377450000e+00 -3.0471560000e+00  1.6160690000e+00
+ENERGY -1.526543081447e+02
+FORCES -2.2195000000e-03  4.2247000000e-03  1.0365000000e-03  7.1000000000e-05 -1.9041000000e-03 -3.4346000000e-03  2.1366000000e-03 -2.2905000000e-03  2.3633000000e-03 -1.0397000000e-03  1.6055000000e-03 -4.5264000000e-03  3.4128000000e-03 -1.3041000000e-03  1.4476000000e-03 -2.3613000000e-03 -3.3140000000e-04  3.1136000000e-03
+
+JOB 88
+COORDS  1.2885900000e-01 -4.1172220000e+00  4.4841370000e+00 -4.9997000000e-01 -3.9987440000e+00  5.1960140000e+00  9.8135300000e-01 -4.1425290000e+00  4.9187010000e+00 -1.1207200000e-01  4.0706300000e+00 -4.5945000000e+00 -3.4671100000e-01  3.8677530000e+00 -3.6889520000e+00 -3.9082200000e-01  4.9780990000e+00 -4.7170960000e+00
+ENERGY -1.526540712781e+02
+FORCES  9.2860000000e-04  3.4000000000e-04  4.6723000000e-03  2.5601000000e-03 -4.6310000000e-04 -2.9079000000e-03 -3.4867000000e-03  1.1910000000e-04 -1.7675000000e-03 -2.1010000000e-03  2.8234000000e-03  3.2160000000e-03  9.5820000000e-04  8.6820000000e-04 -3.7055000000e-03  1.1408000000e-03 -3.6876000000e-03  4.9260000000e-04
+
+JOB 89
+COORDS  2.7498680000e+00  5.3157900000e+00  4.1657290000e+00  2.1474520000e+00  4.8396950000e+00  4.7372710000e+00  2.7197340000e+00  4.8399920000e+00  3.3357050000e+00 -2.7024300000e+00 -5.2273350000e+00 -4.2081550000e+00 -2.3158260000e+00 -6.0715460000e+00 -3.9756070000e+00 -3.3242430000e+00 -5.0458590000e+00 -3.5034230000e+00
+ENERGY -1.526540720960e+02
+FORCES -2.5770000000e-03 -3.8751000000e-03 -1.0739000000e-03  2.4555000000e-03  1.9373000000e-03 -2.3234000000e-03  1.2060000000e-04  1.9364000000e-03  3.3997000000e-03 -9.7770000000e-04 -2.7342000000e-03  3.7931000000e-03 -1.5719000000e-03  3.4580000000e-03 -9.3510000000e-04  2.5505000000e-03 -7.2240000000e-04 -2.8604000000e-03
+
+JOB 0
+COORDS -2.5612200000e-01  1.2559670000e+00 -1.4492200000e-01  3.2518700000e-01  1.0577700000e+00 -8.7910900000e-01 -1.5169500000e-01  2.1968640000e+00 -3.3550000000e-03  2.5161100000e-01 -1.3339700000e+00  2.1679800000e-01 -3.0027800000e-01 -1.5946070000e+00 -5.2057500000e-01  1.3096400000e-01 -3.8677300000e-01  2.8382600000e-01
+ENERGY -1.526567095608e+02
+FORCES  2.9635000000e-03 -3.2543000000e-03  1.2840000000e-03 -3.6345000000e-03 -2.2268000000e-03  6.8216000000e-03  1.4400000000e-05 -4.6376000000e-03 -2.7902000000e-03 -6.9039000000e-03  1.2675100000e-02  4.7780000000e-04  2.7361000000e-03  1.8028000000e-03  1.0645000000e-03  4.8244000000e-03 -4.3592000000e-03 -6.8578000000e-03
+
+JOB 1
+COORDS -5.8597100000e-01 -4.6189000000e-02  1.2425170000e+00  1.5089800000e-01 -1.8818000000e-01  1.8367330000e+00 -1.8015700000e-01  1.0602900000e-01  3.8906700000e-01  5.0857400000e-01  9.0130000000e-02 -1.1785860000e+00  1.1355980000e+00 -6.3091100000e-01 -1.2349130000e+00 -1.2456000000e-02  1.8101000000e-02 -1.9783190000e+00
+ENERGY -1.526591466164e+02
+FORCES  8.0297000000e-03  2.0272000000e-03 -1.5137800000e-02 -9.7680000000e-04 -2.6170000000e-04 -3.2610000000e-03 -2.4551000000e-03 -1.2156000000e-03  9.3360000000e-03 -4.8601000000e-03 -3.8166000000e-03  4.9517000000e-03 -3.5372000000e-03  3.8389000000e-03  5.6220000000e-04  3.7995000000e-03 -5.7210000000e-04  3.5490000000e-03
+
+JOB 2
+COORDS -1.1997220000e+00 -1.9135100000e-01  6.6746100000e-01 -8.5593600000e-01  1.7269200000e-01  1.4832520000e+00 -4.6966700000e-01 -1.3109200000e-01  5.1328000000e-02  1.1070550000e+00  1.8511600000e-01 -6.2359100000e-01  8.2185900000e-01  3.5685500000e-01 -1.5210330000e+00  1.8858870000e+00 -3.6293100000e-01 -7.2000400000e-01
+ENERGY -1.526581366341e+02
+FORCES  1.7351500000e-02  3.1464000000e-03 -4.5854000000e-03 -1.5295000000e-03 -1.2720000000e-03 -1.1560000000e-03 -8.3321000000e-03  6.1760000000e-04 -2.4128000000e-03 -3.4197000000e-03 -3.4736000000e-03  2.2583000000e-03 -4.6650000000e-04 -2.8090000000e-03  6.5061000000e-03 -3.6036000000e-03  3.7906000000e-03 -6.1010000000e-04
+
+JOB 3
+COORDS -9.8690500000e-01  8.4190300000e-01  7.5291000000e-02 -9.1239000000e-01  1.7718690000e+00 -1.3881700000e-01 -1.1591960000e+00  8.2543900000e-01  1.0167140000e+00  1.0051000000e+00 -9.6137800000e-01 -1.3283500000e-01  1.6330960000e+00 -3.0669200000e-01  1.7251800000e-01  1.6722800000e-01 -4.9901000000e-01 -1.5327300000e-01
+ENERGY -1.526583301717e+02
+FORCES  5.9043000000e-03 -8.8040000000e-04  2.4950000000e-04 -5.1300000000e-04 -4.1289000000e-03  2.8786000000e-03  2.3717000000e-03  7.5300000000e-05 -5.3495000000e-03 -1.0197100000e-02  1.3939200000e-02  4.2700000000e-04 -7.9790000000e-04 -1.7727000000e-03 -2.7910000000e-04  3.2320000000e-03 -7.2325000000e-03  2.0735000000e-03
+
+JOB 4
+COORDS  1.0661800000e-01  1.2048140000e+00  4.6592800000e-01  2.3228700000e-01  1.7821920000e+00  1.2189710000e+00 -4.0336000000e-02  1.7988840000e+00 -2.7008700000e-01 -1.5835000000e-01 -1.3139280000e+00 -4.8507500000e-01  7.6658400000e-01 -1.5578510000e+00 -5.2014600000e-01 -1.5730300000e-01 -4.1580000000e-01 -1.5402100000e-01
+ENERGY -1.526596234224e+02
+FORCES -8.9160000000e-04 -3.7824000000e-03  3.3560000000e-04 -1.6430000000e-04 -7.0330000000e-04 -5.0385000000e-03  8.0680000000e-04 -3.5852000000e-03  4.3241000000e-03  4.2615000000e-03  1.2053700000e-02  6.9084000000e-03 -2.3282000000e-03  5.5860000000e-04 -5.9600000000e-05 -1.6842000000e-03 -4.5414000000e-03 -6.4700000000e-03
+
+JOB 5
+COORDS  4.4054600000e-01 -1.2419240000e+00  1.0557800000e-01  5.1463000000e-02 -1.7523870000e+00  8.1570100000e-01  2.5389100000e-01 -1.7488840000e+00 -6.8460100000e-01 -3.9777200000e-01  1.3649380000e+00 -9.9569000000e-02 -1.2409230000e+00  9.2492100000e-01 -2.0779300000e-01  2.2918500000e-01  6.5352500000e-01  3.0997000000e-02
+ENERGY -1.526586494307e+02
+FORCES -3.6401000000e-03  1.7186000000e-03 -7.1300000000e-04  9.9870000000e-04  2.1477000000e-03 -4.4158000000e-03 -1.9440000000e-04  2.1725000000e-03  4.5388000000e-03  2.2287000000e-03 -1.5652400000e-02  1.0474000000e-03  4.6140000000e-04  2.1598000000e-03 -1.0930000000e-04  1.4570000000e-04  7.4537000000e-03 -3.4810000000e-04
+
+JOB 6
+COORDS  7.0287400000e-01  8.4614500000e-01 -7.4530500000e-01  5.6025700000e-01  6.6465100000e-01 -1.6742570000e+00  2.9782600000e-01  1.7016630000e+00 -6.0298200000e-01 -7.0639400000e-01 -8.8167000000e-01  8.4677000000e-01 -1.8498600000e-01 -2.4113400000e-01  3.6295100000e-01 -5.8290800000e-01 -1.7017910000e+00  3.6887400000e-01
+ENERGY -1.526599825755e+02
+FORCES -4.5593000000e-03 -8.1900000000e-04 -1.2207000000e-03  4.7670000000e-04  1.0695000000e-03  4.9659000000e-03  1.3961000000e-03 -5.7888000000e-03 -5.9900000000e-04  9.7865000000e-03  7.2668000000e-03 -1.0225400000e-02 -6.6952000000e-03 -4.1850000000e-03  6.5963000000e-03 -4.0490000000e-04  2.4565000000e-03  4.8280000000e-04
+
+JOB 7
+COORDS  1.7229900000e-01  1.2985890000e+00 -9.8453000000e-02 -3.2692600000e-01  1.6253420000e+00  6.5003800000e-01  7.3593300000e-01  2.0305660000e+00 -3.4897200000e-01 -2.3327800000e-01 -1.3810550000e+00  8.6808000000e-02  4.1552000000e-02 -4.6619500000e-01  2.5723000000e-02  5.4841600000e-01 -1.8824590000e+00 -1.4510000000e-01
+ENERGY -1.526601276279e+02
+FORCES  1.5300000000e-04 -2.4307000000e-03  7.8110000000e-04  3.5302000000e-03 -1.7724000000e-03 -4.1531000000e-03 -3.5546000000e-03 -2.1965000000e-03  2.2403000000e-03  4.9649000000e-03  1.1850500000e-02 -2.7740000000e-03 -3.3633000000e-03 -7.6868000000e-03  3.5791000000e-03 -1.7303000000e-03  2.2360000000e-03  3.2670000000e-04
+
+JOB 8
+COORDS  7.2280800000e-01 -1.2085120000e+00 -8.7602000000e-02  1.5420200000e-01 -4.8104800000e-01  1.6481800000e-01  1.1996600000e-01 -1.9088510000e+00 -3.3727900000e-01 -6.1995200000e-01  1.2148380000e+00  2.5358000000e-02 -3.1674000000e-01  1.3459180000e+00  9.2375300000e-01 -1.5308390000e+00  9.3561700000e-01  1.1783100000e-01
+ENERGY -1.526557634089e+02
+FORCES -7.9969000000e-03  1.0608100000e-02 -2.2708000000e-03  2.7093000000e-03 -7.9623000000e-03  6.0238000000e-03  8.0290000000e-04  3.3711000000e-03  1.0302000000e-03 -1.2634000000e-03  1.0665000000e-03  1.6410000000e-03 -9.3150000000e-04 -5.5494000000e-03 -6.1438000000e-03  6.6796000000e-03 -1.5340000000e-03 -2.8030000000e-04
+
+JOB 9
+COORDS -1.1710690000e+00  7.1234700000e-01  3.1284000000e-01 -1.4315830000e+00  1.4608690000e+00 -2.2389000000e-01 -4.1333700000e-01  3.4362800000e-01 -1.4116500000e-01  1.1082960000e+00 -6.8386700000e-01 -2.3428100000e-01  1.9068840000e+00 -7.2000300000e-01 -7.6076400000e-01  9.2495600000e-01 -1.5970060000e+00 -1.3382000000e-02
+ENERGY -1.526603795246e+02
+FORCES  1.0035400000e-02 -3.7879000000e-03 -3.8507000000e-03  2.2849000000e-03 -2.5579000000e-03  8.5860000000e-04 -9.0076000000e-03  3.6708000000e-03  1.4096000000e-03 -1.6023000000e-03 -9.6260000000e-04  9.0160000000e-04 -3.6533000000e-03 -8.7980000000e-04  2.7505000000e-03  1.9430000000e-03  4.5174000000e-03 -2.0696000000e-03
+
+JOB 10
+COORDS  4.0028200000e-01 -3.0372400000e-01 -1.3269780000e+00  1.5487000000e-02 -3.8089100000e-01 -4.5393200000e-01  1.2012370000e+00 -8.2601700000e-01 -1.2832420000e+00 -3.6808900000e-01  3.3053800000e-01  1.2333870000e+00 -9.6228000000e-01  1.0808670000e+00  1.2466140000e+00 -7.3875500000e-01 -2.8037500000e-01  1.8702720000e+00
+ENERGY -1.526597541712e+02
+FORCES -1.1606000000e-03  2.0243000000e-03  1.2998100000e-02  1.3473000000e-03 -4.3849000000e-03 -8.8212000000e-03 -2.6762000000e-03  1.1832000000e-03  7.2830000000e-04 -1.9344000000e-03  3.1639000000e-03 -1.5477000000e-03  2.4418000000e-03 -4.5942000000e-03  1.1752000000e-03  1.9821000000e-03  2.6077000000e-03 -4.5326000000e-03
+
+JOB 11
+COORDS  7.6629300000e-01 -1.3129700000e-01 -1.1893210000e+00  1.2652520000e+00  6.8229700000e-01 -1.2623720000e+00  2.6088800000e-01 -3.1256000000e-02 -3.8260500000e-01 -7.0963800000e-01  8.8520000000e-02  1.1109260000e+00 -1.5730150000e+00  4.9426500000e-01  1.0322950000e+00 -8.0984300000e-01 -5.5490300000e-01  1.8124940000e+00
+ENERGY -1.526612843878e+02
+FORCES -5.6606000000e-03  2.4124000000e-03  1.1865900000e-02 -2.1128000000e-03 -1.8940000000e-03  8.1190000000e-04  4.6235000000e-03  4.6260000000e-04 -8.6704000000e-03  3.0000000000e-06 -2.5615000000e-03 -2.3288000000e-03  4.3171000000e-03 -2.3968000000e-03  1.1817000000e-03 -1.1702000000e-03  3.9772000000e-03 -2.8604000000e-03
+
+JOB 12
+COORDS  6.6769800000e-01  1.3571500000e-01  1.2346950000e+00  1.1334530000e+00 -6.3706800000e-01  1.5542400000e+00  3.9185500000e-01 -9.9587000000e-02  3.4881900000e-01 -6.3446200000e-01 -9.1947000000e-02 -1.1494550000e+00 -4.4801100000e-01  4.0561200000e-01 -1.9456350000e+00 -1.5671270000e+00 -2.9896300000e-01 -1.2087160000e+00
+ENERGY -1.526606589518e+02
+FORCES -4.9746000000e-03 -2.3081000000e-03 -1.0443100000e-02 -2.1941000000e-03  1.7526000000e-03 -2.3525000000e-03  5.9390000000e-03 -2.5620000000e-04  7.7673000000e-03 -9.8330000000e-04  2.1618000000e-03  3.4220000000e-03 -2.0639000000e-03 -2.6646000000e-03  3.3793000000e-03  4.2770000000e-03  1.3144000000e-03 -1.7730000000e-03
+
+JOB 13
+COORDS -8.5801800000e-01 -8.5087400000e-01  5.4774800000e-01 -1.5027840000e+00 -6.1948400000e-01  1.2163040000e+00 -1.3247810000e+00 -1.4443460000e+00 -4.0601000000e-02  9.4216900000e-01  9.0245200000e-01 -6.0443000000e-01  1.3594550000e+00  8.8805300000e-01  2.5690500000e-01  1.7580100000e-01  3.3688800000e-01 -5.0930400000e-01
+ENERGY -1.526592668529e+02
+FORCES -1.1638000000e-03  1.6827000000e-03  4.1830000000e-04  3.1364000000e-03 -2.0845000000e-03 -3.3253000000e-03  2.4844000000e-03  4.6347000000e-03  2.4016000000e-03 -7.7385000000e-03 -9.3307000000e-03  9.4478000000e-03  1.5430000000e-04  1.7008000000e-03 -2.1844000000e-03  3.1272000000e-03  3.3969000000e-03 -6.7580000000e-03
+
+JOB 14
+COORDS -5.3998400000e-01  7.6969200000e-01 -1.0598650000e+00 -2.6645800000e-01  1.4808700000e-01 -3.8531200000e-01 -1.3377570000e+00  3.8932000000e-01 -1.4274350000e+00  5.9590300000e-01 -7.2681600000e-01  9.7697600000e-01  1.0217050000e+00 -1.9788500000e-01  1.6516290000e+00 -2.3673200000e-01 -9.9046200000e-01  1.3686910000e+00
+ENERGY -1.526589272144e+02
+FORCES  5.6905000000e-03 -7.7295000000e-03  7.5686000000e-03 -9.1213000000e-03  3.8910000000e-03 -5.7568000000e-03  2.7693000000e-03 -2.2540000000e-04  3.1991000000e-03  2.0670000000e-04  4.1941000000e-03  3.0719000000e-03 -2.7170000000e-03 -3.6682000000e-03 -2.6422000000e-03  3.1718000000e-03  3.5380000000e-03 -5.4405000000e-03
+
+JOB 15
+COORDS  1.1277290000e+00 -4.7404300000e-01  5.3115200000e-01  1.8551830000e+00 -7.8059300000e-01 -1.0207000000e-02  9.9688000000e-01 -1.1708620000e+00  1.1742340000e+00 -1.1909870000e+00  5.0690100000e-01 -5.9617500000e-01 -3.9208200000e-01  2.1220200000e-01 -1.5898700000e-01 -1.5117790000e+00  1.2253810000e+00 -5.1097000000e-02
+ENERGY -1.526615643329e+02
+FORCES -1.2982000000e-03 -2.2081000000e-03 -2.6794000000e-03 -3.2322000000e-03  4.2750000000e-04  3.8578000000e-03  1.1738000000e-03  3.4436000000e-03 -3.5423000000e-03  1.1122800000e-02 -2.6711000000e-03  6.2263000000e-03 -9.3920000000e-03  3.5812000000e-03 -3.1490000000e-03  1.6259000000e-03 -2.5732000000e-03 -7.1340000000e-04
+
+JOB 16
+COORDS -3.5439000000e-01 -3.7732800000e-01  1.2295520000e+00 -1.3359100000e-01  9.9462000000e-02  2.0296460000e+00 -3.0705500000e-01 -1.3001570000e+00  1.4793070000e+00  3.7602000000e-01  4.1413200000e-01 -1.3419210000e+00 -4.9140500000e-01  7.6952600000e-01 -1.1482730000e+00  5.6666300000e-01 -1.6779400000e-01 -6.0622400000e-01
+ENERGY -1.526585120295e+02
+FORCES  9.1490000000e-04  9.8940000000e-04  1.9292000000e-03 -1.4724000000e-03 -2.9284000000e-03 -3.7062000000e-03  1.1929000000e-03  4.9922000000e-03 -2.3275000000e-03 -6.1801000000e-03 -2.5290000000e-03  1.3207200000e-02  1.8427000000e-03  1.0066000000e-03 -3.3094000000e-03  3.7021000000e-03 -1.5308000000e-03 -5.7933000000e-03
+
+JOB 17
+COORDS  1.3778660000e+00  3.2503600000e-01 -3.7761000000e-02  1.9224200000e+00  1.4426100000e-01 -8.0392900000e-01  5.1772200000e-01 -2.7434000000e-02 -2.6612100000e-01 -1.3352660000e+00 -2.6829700000e-01  3.1094000000e-02 -1.6098430000e+00 -1.1736100000e+00  1.7686300000e-01 -1.4690490000e+00  1.6199800000e-01  8.7559400000e-01
+ENERGY -1.526614809926e+02
+FORCES -1.0382100000e-02 -2.7554000000e-03 -2.4540000000e-03 -3.2578000000e-03 -4.6530000000e-04  1.9040000000e-03  1.1147800000e-02  1.7438000000e-03  1.5600000000e-04  2.7200000000e-04  2.4440000000e-04  5.4310000000e-03  2.0189000000e-03  4.5130000000e-03 -5.5990000000e-04  2.0110000000e-04 -3.2805000000e-03 -4.4771000000e-03
+
+JOB 18
+COORDS -4.0513900000e-01  1.0789390000e+00  7.2281000000e-01 -2.8741600000e-01  1.9210640000e+00  2.8326700000e-01 -1.3539970000e+00  9.7880400000e-01  7.9945000000e-01  4.0006400000e-01 -1.1373950000e+00 -7.3735900000e-01  1.2542000000e+00 -1.5692000000e+00 -7.5244700000e-01  5.0610400000e-01 -4.1737700000e-01 -1.1561800000e-01
+ENERGY -1.526607977352e+02
+FORCES -4.5973000000e-03 -8.1750000000e-04 -4.0383000000e-03 -6.4940000000e-04 -4.0026000000e-03  2.0601000000e-03  4.2972000000e-03  2.2459000000e-03  4.8700000000e-05 -1.1622000000e-03  7.4403000000e-03  6.1498000000e-03 -2.5361000000e-03  3.2143000000e-03  1.1402000000e-03  4.6478000000e-03 -8.0804000000e-03 -5.3605000000e-03
+
+JOB 19
+COORDS -1.1562900000e+00 -2.3652800000e-01  6.8777600000e-01 -1.6753820000e+00  1.5213500000e-01 -1.6295000000e-02 -1.4369100000e+00  2.2702400000e-01  1.4768290000e+00  1.2544900000e+00  1.8366800000e-01 -6.5048200000e-01  1.2555240000e+00  3.9280200000e-01 -1.5845560000e+00  3.3286800000e-01  3.5205000000e-02 -4.3881400000e-01
+ENERGY -1.526568204555e+02
+FORCES  2.3950000000e-04  4.3950000000e-03  3.3419000000e-03  7.4614000000e-03 -1.6296000000e-03  1.5777000000e-03 -4.4910000000e-04 -2.6003000000e-03 -4.2042000000e-03 -8.1806000000e-03 -2.2991000000e-03  4.8303000000e-03 -2.5907000000e-03 -6.8220000000e-04  3.8118000000e-03  3.5196000000e-03  2.8162000000e-03 -9.3575000000e-03
+
+JOB 20
+COORDS  6.6308000000e-02  2.8086600000e-01  1.3067790000e+00 -2.2788300000e-01  1.1555710000e+00  1.5608960000e+00  6.8906300000e-01  2.9539000000e-02  1.9888660000e+00 -9.0659000000e-02 -3.7088200000e-01 -1.4057230000e+00 -5.4755000000e-02  5.6573500000e-01 -1.5998640000e+00 -3.6867000000e-02 -4.2037700000e-01 -4.5131800000e-01
+ENERGY -1.526597233653e+02
+FORCES  5.0100000000e-04  1.8882000000e-03 -1.1405000000e-03  2.4111000000e-03 -3.9417000000e-03 -5.6440000000e-04 -3.2713000000e-03  2.0406000000e-03 -2.9775000000e-03  1.3197000000e-03  5.7622000000e-03  1.2234800000e-02 -5.9850000000e-04 -2.0151000000e-03 -4.0030000000e-04 -3.6200000000e-04 -3.7342000000e-03 -7.1521000000e-03
+
+JOB 21
+COORDS  6.2426400000e-01  3.2863300000e-01  1.2557700000e+00  1.0859440000e+00 -4.3687100000e-01  1.5979500000e+00  2.7501300000e-01  4.1026000000e-02  4.1224200000e-01 -5.7878800000e-01 -2.3723800000e-01 -1.1920940000e+00 -8.3195500000e-01 -8.9482000000e-02 -2.1033060000e+00 -1.1872270000e+00 -9.0681400000e-01 -8.7952300000e-01
+ENERGY -1.526591540709e+02
+FORCES -1.5507000000e-03 -2.1289000000e-03 -9.5845000000e-03 -2.4509000000e-03  1.7008000000e-03 -1.9931000000e-03  4.7240000000e-04 -2.6554000000e-03  9.0202000000e-03 -6.4790000000e-04  1.8823000000e-03 -9.4800000000e-04 -6.0860000000e-04 -2.3166000000e-03  4.0930000000e-03  4.7858000000e-03  3.5178000000e-03 -5.8750000000e-04
+
+JOB 22
+COORDS  9.2161300000e-01  8.6333200000e-01 -4.8861600000e-01  1.3990910000e+00  7.3775800000e-01 -1.3086630000e+00  1.5314790000e+00  1.3412520000e+00  7.3424000000e-02 -9.8041300000e-01 -9.2319100000e-01  5.5598200000e-01 -2.9992900000e-01 -3.3302800000e-01  2.3213100000e-01 -1.7067720000e+00 -8.1146300000e-01 -5.7331000000e-02
+ENERGY -1.526615536899e+02
+FORCES  1.8541000000e-03 -1.1987000000e-03  2.7330000000e-04 -1.7107000000e-03  1.6583000000e-03  4.1910000000e-03 -2.2659000000e-03 -2.4135000000e-03 -3.7584000000e-03  6.2394000000e-03  8.4862000000e-03 -6.1931000000e-03 -6.3760000000e-03 -6.0544000000e-03  4.2361000000e-03  2.2592000000e-03 -4.7790000000e-04  1.2511000000e-03
+
+JOB 23
+COORDS  1.8982800000e-01  3.0068600000e-01 -1.3410630000e+00 -2.6835700000e-01  1.0408030000e+00 -1.7392140000e+00  1.0541050000e+00  6.4581700000e-01 -1.1171430000e+00 -2.2293400000e-01 -3.8537600000e-01  1.4135400000e+00  5.1576500000e-01 -6.3918700000e-01  8.6024400000e-01 -7.3444600000e-01  2.1448700000e-01  8.7063000000e-01
+ENERGY -1.526553866932e+02
+FORCES  1.7827000000e-03  3.5405000000e-03  2.0500000000e-05  1.5986000000e-03 -3.4077000000e-03  3.4243000000e-03 -4.5801000000e-03 -3.1632000000e-03  1.0041000000e-03  2.7100000000e-04  1.5293000000e-03 -1.3347200000e-02  2.0254000000e-03  6.3970000000e-04  3.6252000000e-03 -1.0976000000e-03  8.6150000000e-04  5.2732000000e-03
+
+JOB 24
+COORDS  7.0521600000e-01 -8.9899800000e-01 -9.2618600000e-01  4.6171100000e-01 -4.6296600000e-01 -1.7427730000e+00  2.1318600000e-01 -4.3370200000e-01 -2.4969700000e-01 -6.2853200000e-01  7.9215800000e-01  9.5080500000e-01 -3.5948700000e-01  1.7098610000e+00  9.9163100000e-01 -1.5045970000e+00  8.1580400000e-01  5.6586100000e-01
+ENERGY -1.526600124189e+02
+FORCES -5.1787000000e-03  8.4648000000e-03  6.3530000000e-03  1.3730000000e-04 -9.0510000000e-04  2.6605000000e-03  1.8866000000e-03 -6.8991000000e-03 -7.7368000000e-03 -2.3040000000e-04  4.3307000000e-03 -8.4900000000e-04 -2.6773000000e-03 -4.2859000000e-03 -5.1760000000e-04  6.0626000000e-03 -7.0540000000e-04  8.9800000000e-05
+
+JOB 25
+COORDS -1.8510200000e-01  6.4688600000e-01 -1.1679200000e+00 -8.3389800000e-01  7.5451700000e-01 -1.8634130000e+00  6.0903200000e-01  1.0526870000e+00 -1.5156410000e+00  2.2840200000e-01 -6.6129400000e-01  1.2738270000e+00 -1.6170000000e-03 -3.4598600000e-01  3.9981100000e-01 -4.4526900000e-01 -1.3092190000e+00  1.4802040000e+00
+ENERGY -1.526610812505e+02
+FORCES  1.0415000000e-03  4.6610000000e-04 -1.9890000000e-04  3.7977000000e-03  2.2570000000e-04  2.3837000000e-03 -4.7117000000e-03 -1.7118000000e-03  4.9650000000e-04 -3.9967000000e-03  3.5051000000e-03 -9.3786000000e-03  2.4394000000e-03 -4.6967000000e-03  8.1633000000e-03  1.4297000000e-03  2.2116000000e-03 -1.4660000000e-03
+
+JOB 26
+COORDS  1.1739810000e+00 -9.5662000000e-02 -8.7236200000e-01  1.4641400000e+00 -9.9864200000e-01 -1.0014620000e+00  4.7288000000e-01 -1.5928000000e-01 -2.2379300000e-01 -1.1282930000e+00  9.1949000000e-02  8.2395000000e-01 -9.6677500000e-01  5.0525500000e-01  1.6720790000e+00 -1.6328220000e+00  7.4059200000e-01  3.3308900000e-01
+ENERGY -1.526622729882e+02
+FORCES -7.9460000000e-03 -2.5122000000e-03  6.4934000000e-03 -1.4527000000e-03  2.6173000000e-03  1.0702000000e-03  9.0438000000e-03  7.7000000000e-05 -6.7448000000e-03 -1.8860000000e-03  4.7427000000e-03  6.5180000000e-04 -7.4520000000e-04 -1.7676000000e-03 -4.6683000000e-03  2.9860000000e-03 -3.1572000000e-03  3.1977000000e-03
+
+JOB 27
+COORDS  6.5849000000e-01  8.2923700000e-01  1.0206790000e+00  2.4327000000e-02  9.2725600000e-01  1.7309340000e+00  3.2347900000e-01  1.0013400000e-01  4.9875200000e-01 -5.8283400000e-01 -7.9752900000e-01 -9.6607800000e-01 -6.3880200000e-01 -1.4999160000e+00 -1.6139610000e+00 -8.3095300000e-01 -7.6340000000e-03 -1.4464260000e+00
+ENERGY -1.526613755603e+02
+FORCES -4.6752000000e-03 -7.2923000000e-03 -3.0212000000e-03  1.6147000000e-03 -2.5790000000e-04 -2.7001000000e-03  2.2827000000e-03  7.6647000000e-03  4.9119000000e-03  3.8300000000e-04  4.6880000000e-04 -3.3731000000e-03 -7.6940000000e-04  4.1946000000e-03  1.6890000000e-03  1.1642000000e-03 -4.7779000000e-03  2.4935000000e-03
+
+JOB 28
+COORDS  7.9036700000e-01  8.8832600000e-01  8.9591900000e-01  1.4973570000e+00  2.5015900000e-01  9.9152200000e-01  9.3768000000e-02  4.0931200000e-01  4.4700200000e-01 -8.3961700000e-01 -7.8169800000e-01 -8.3776600000e-01 -1.5140400000e-01 -4.6114200000e-01 -1.4207230000e+00 -7.4923200000e-01 -1.7343410000e+00 -8.6084700000e-01
+ENERGY -1.526593016588e+02
+FORCES -5.3409000000e-03 -8.6304000000e-03 -2.7355000000e-03 -1.8853000000e-03  2.0198000000e-03 -1.1580000000e-03  7.1421000000e-03  6.5627000000e-03  8.6940000000e-04  2.3302000000e-03 -3.5578000000e-03 -2.9316000000e-03 -2.6892000000e-03 -1.2468000000e-03  6.4258000000e-03  4.4310000000e-04  4.8525000000e-03 -4.7000000000e-04
+
+JOB 29
+COORDS -6.0375800000e-01  6.7362700000e-01 -1.0999960000e+00  2.9702300000e-01  9.7619000000e-01 -1.2152400000e+00 -1.0950090000e+00  1.4632660000e+00 -8.7333600000e-01  6.0440700000e-01 -7.9148100000e-01  1.1137770000e+00  7.5244500000e-01  7.4562000000e-02  1.4936280000e+00  2.3808000000e-02 -6.3118900000e-01  3.6984000000e-01
+ENERGY -1.526592084844e+02
+FORCES  1.6492000000e-03  4.8111000000e-03 -2.2700000000e-05 -4.9446000000e-03 -1.8528000000e-03  2.5092000000e-03  3.3896000000e-03 -3.5009000000e-03 -6.1380000000e-04 -6.4189000000e-03  6.8211000000e-03 -5.9024000000e-03  6.0690000000e-04 -2.1847000000e-03 -1.1711000000e-03  5.7177000000e-03 -4.0938000000e-03  5.2008000000e-03
+
+JOB 30
+COORDS  1.9341800000e-01  1.3028230000e+00  6.4285100000e-01 -3.4975900000e-01  1.9985330000e+00  2.7247600000e-01  3.2396900000e-01  6.8953500000e-01 -8.0381000000e-02 -2.0173600000e-01 -1.2855130000e+00 -6.3735600000e-01  7.2804700000e-01 -1.3454820000e+00 -4.1795200000e-01 -6.5412400000e-01 -1.5880880000e+00  1.5006000000e-01
+ENERGY -1.526578591756e+02
+FORCES -4.1173000000e-03 -4.5481000000e-03 -7.4245000000e-03  1.7018000000e-03 -2.5752000000e-03  1.3289000000e-03  5.4944000000e-03  4.3812000000e-03  4.5177000000e-03 -4.6960000000e-04 -2.3762000000e-03  7.3664000000e-03 -4.9034000000e-03  4.9299000000e-03 -1.2970000000e-03  2.2941000000e-03  1.8830000000e-04 -4.4916000000e-03
+
+JOB 31
+COORDS -3.3790900000e-01  1.1912720000e+00 -6.0433900000e-01  1.8428100000e-01  1.8556700000e+00 -1.0539240000e+00 -1.1579590000e+00  1.1567810000e+00 -1.0968430000e+00  3.3812600000e-01 -1.2641300000e+00  7.1246600000e-01  1.0871140000e+00 -1.3646800000e+00  1.2498100000e-01 -1.4527600000e-01 -5.1722500000e-01  3.5935400000e-01
+ENERGY -1.526594477311e+02
+FORCES  1.8687000000e-03  1.7107000000e-03 -1.9533000000e-03 -3.4530000000e-03 -2.7758000000e-03  9.5210000000e-04  4.5420000000e-03 -7.4560000000e-04  2.7993000000e-03  5.8900000000e-04  1.0033800000e-02 -6.9938000000e-03 -1.3201000000e-03 -8.7600000000e-04  2.0353000000e-03 -2.2266000000e-03 -7.3471000000e-03  3.1604000000e-03
+
+JOB 32
+COORDS  6.9700700000e-01 -4.1335600000e-01  1.1499280000e+00  6.9461100000e-01 -9.9252600000e-01  1.9120220000e+00  1.3417760000e+00 -7.9945100000e-01  5.5710700000e-01 -7.9406000000e-01  4.9202400000e-01 -1.1785620000e+00 -5.2536500000e-01  1.7584600000e-01 -3.1596900000e-01 -7.9560000000e-03  4.1250700000e-01 -1.7188860000e+00
+ENERGY -1.526591465477e+02
+FORCES  2.1153000000e-03 -3.7736000000e-03  1.6605000000e-03  1.1921000000e-03  2.4596000000e-03 -3.9031000000e-03 -4.6117000000e-03  2.4417000000e-03  1.5894000000e-03  5.7961000000e-03 -2.2794000000e-03  7.4247000000e-03 -2.6680000000e-03  1.7309000000e-03 -8.7972000000e-03 -1.8237000000e-03 -5.7920000000e-04  2.0257000000e-03
+
+JOB 33
+COORDS -9.4896600000e-01 -5.4062400000e-01 -8.7440400000e-01 -1.7564380000e+00 -3.5986100000e-01 -1.3555970000e+00 -7.7515000000e-01 -1.4677650000e+00 -1.0369760000e+00  1.0396640000e+00  5.5850900000e-01  9.3668700000e-01  4.1065800000e-01  1.9849200000e-01  3.1141000000e-01  7.0170400000e-01  1.4301700000e+00  1.1421660000e+00
+ENERGY -1.526610454278e+02
+FORCES -2.0220000000e-03 -1.0855000000e-03 -1.4264000000e-03  3.3207000000e-03 -2.2854000000e-03  1.6037000000e-03 -1.2207000000e-03  4.8250000000e-03  5.5500000000e-04 -8.4727000000e-03 -2.2530000000e-04 -5.7009000000e-03  7.3574000000e-03  1.0504000000e-03  5.4761000000e-03  1.0374000000e-03 -2.2791000000e-03 -5.0750000000e-04
+
+JOB 34
+COORDS -4.8822000000e-01  5.7797100000e-01  1.2121680000e+00 -1.3120730000e+00  9.4001000000e-02  1.1549830000e+00 -7.5317500000e-01  1.4872850000e+00  1.3506540000e+00  5.9770200000e-01 -6.5129000000e-01 -1.2025560000e+00  2.9252300000e-01  4.4052000000e-02 -6.1980700000e-01  1.4650700000e-01 -4.8589700000e-01 -2.0303840000e+00
+ENERGY -1.526599243366e+02
+FORCES -4.7627000000e-03 -3.0250000000e-04  3.3375000000e-03  4.0770000000e-03  3.7096000000e-03 -7.1440000000e-04  1.1124000000e-03 -4.7347000000e-03 -1.9066000000e-03 -2.8746000000e-03  5.5814000000e-03  5.0383000000e-03  1.8421000000e-03 -4.2169000000e-03 -9.5133000000e-03  6.0570000000e-04 -3.6800000000e-05  3.7586000000e-03
+
+JOB 35
+COORDS  1.3365700000e-01 -1.0295640000e+00  1.1136750000e+00 -7.4833300000e-01 -1.3380250000e+00  9.0588400000e-01  3.7292200000e-01 -4.7084700000e-01  3.7420300000e-01 -4.6593000000e-02  1.0498990000e+00 -1.0160820000e+00  1.6590100000e-01  6.1431800000e-01 -1.8415200000e+00 -9.8733600000e-01  9.1107700000e-01 -9.0670700000e-01
+ENERGY -1.526581348642e+02
+FORCES -1.4615000000e-03  6.1228000000e-03 -7.1442000000e-03  2.3886000000e-03  1.6615000000e-03  1.4140000000e-04 -7.2820000000e-04 -8.0417000000e-03  5.0166000000e-03 -4.5658000000e-03  1.1570000000e-03 -3.8519000000e-03 -1.0575000000e-03  6.4220000000e-04  5.8153000000e-03  5.4244000000e-03 -1.5419000000e-03  2.2800000000e-05
+
+JOB 36
+COORDS  9.5971800000e-01 -6.3585300000e-01 -8.8321700000e-01  1.3758710000e+00  1.9351100000e-01 -1.1181720000e+00  4.6678200000e-01 -8.8679900000e-01 -1.6644160000e+00 -9.3935800000e-01  6.1149900000e-01  9.9837500000e-01 -1.7684170000e+00  8.9239300000e-01  6.1108600000e-01 -4.6766500000e-01  1.9299700000e-01  2.7824000000e-01
+ENERGY -1.526598283664e+02
+FORCES  3.7555000000e-03  6.5660000000e-04 -5.0028000000e-03 -4.2073000000e-03 -4.2037000000e-03  1.5270000000e-03  1.0048000000e-03  2.7115000000e-03  5.1428000000e-03  3.6885000000e-03 -4.6714000000e-03 -6.2755000000e-03  3.5035000000e-03 -1.4372000000e-03  4.2800000000e-05 -7.7449000000e-03  6.9442000000e-03  4.5657000000e-03
+
+JOB 37
+COORDS  1.9041200000e-01  1.1004610000e+00  8.6916000000e-01 -6.9976200000e-01  1.4264970000e+00  1.0015350000e+00  6.6543800000e-01  1.3742920000e+00  1.6537610000e+00 -2.1167400000e-01 -1.1453350000e+00 -9.5797700000e-01  5.2523500000e-01 -1.7360460000e+00 -8.0223000000e-01 -2.4243000000e-02 -3.7952100000e-01 -4.1517800000e-01
+ENERGY -1.526611018121e+02
+FORCES -7.4170000000e-04  1.0716000000e-03  3.6506000000e-03  4.8256000000e-03 -1.8841000000e-03 -5.4240000000e-04 -3.1074000000e-03 -2.4910000000e-04 -3.0115000000e-03  4.9812000000e-03  5.4297000000e-03  6.7150000000e-03 -2.0718000000e-03  1.5473000000e-03 -4.7600000000e-04 -3.8859000000e-03 -5.9154000000e-03 -6.3357000000e-03
+
+JOB 38
+COORDS  6.5915700000e-01 -1.2227300000e+00  4.5075000000e-01  8.9597700000e-01 -1.2087950000e+00  1.3780870000e+00 -1.7897500000e-01 -1.6843040000e+00  4.2400900000e-01 -6.4692000000e-01  1.3034870000e+00 -5.3563300000e-01  1.9319900000e-01  8.4475800000e-01 -5.3553100000e-01 -1.1740900000e+00  8.3893500000e-01  1.1437800000e-01
+ENERGY -1.526579186774e+02
+FORCES -2.3693000000e-03 -3.0476000000e-03  3.2639000000e-03 -1.9534000000e-03  4.8350000000e-04 -4.4583000000e-03  3.3501000000e-03  3.4754000000e-03  8.5900000000e-04  4.6418000000e-03 -8.4977000000e-03  4.4757000000e-03 -2.8829000000e-03  5.9809000000e-03 -2.4429000000e-03 -7.8630000000e-04  1.6055000000e-03 -1.6974000000e-03
+
+JOB 39
+COORDS -3.3361100000e-01  1.1365360000e+00  9.7812800000e-01 -1.2113820000e+00  7.5564400000e-01  1.0040360000e+00  2.1984500000e-01  4.4014400000e-01  6.2463500000e-01  3.3115900000e-01 -1.0908990000e+00 -8.9821800000e-01  1.2465260000e+00 -9.5568800000e-01 -1.1432780000e+00 -1.6018800000e-01 -9.1957500000e-01 -1.7016220000e+00
+ENERGY -1.526591567364e+02
+FORCES -8.7130000000e-04 -9.8828000000e-03 -5.2884000000e-03  1.6726000000e-03  2.5571000000e-03  3.3990000000e-04  1.5520000000e-03  6.4144000000e-03  4.7893000000e-03 -1.1620000000e-04  1.7103000000e-03 -5.9121000000e-03 -4.7595000000e-03  7.1700000000e-04  2.5417000000e-03  2.5225000000e-03 -1.5160000000e-03  3.5296000000e-03
+
+JOB 40
+COORDS -5.2220500000e-01 -7.0155800000e-01  1.1437840000e+00 -5.6369200000e-01  1.1980900000e-01  1.6335470000e+00 -3.7270200000e-01 -1.3714840000e+00  1.8109260000e+00  4.6940000000e-01  6.7357800000e-01 -1.2658880000e+00  1.2799680000e+00  1.1786240000e+00 -1.3302390000e+00  4.2987100000e-01  3.9890200000e-01 -3.4979800000e-01
+ENERGY -1.526576779550e+02
+FORCES -1.3437000000e-03 -2.3780000000e-03  4.9689000000e-03  3.0928000000e-03 -3.5374000000e-03 -4.8018000000e-03 -1.4017000000e-03  3.6424000000e-03 -2.4546000000e-03  8.0200000000e-04 -3.7028000000e-03  5.3854000000e-03 -3.0678000000e-03 -2.0990000000e-03  1.3521000000e-03  1.9184000000e-03  8.0748000000e-03 -4.4499000000e-03
+
+JOB 41
+COORDS  1.0254960000e+00  5.5595000000e-02 -1.0239120000e+00  1.4214160000e+00  8.6670100000e-01 -7.0518700000e-01  1.0813070000e+00  1.1978400000e-01 -1.9773250000e+00 -1.0664510000e+00 -1.5306300000e-01  1.1099380000e+00 -1.4521020000e+00  7.0561400000e-01  9.3621600000e-01 -3.8822000000e-01 -2.5118200000e-01  4.4165100000e-01
+ENERGY -1.526604621168e+02
+FORCES  2.0697000000e-03  2.4739000000e-03 -4.0069000000e-03 -3.3485000000e-03 -3.8372000000e-03 -1.5346000000e-03  7.0260000000e-04  8.5250000000e-04  4.4721000000e-03  4.0413000000e-03  1.8352000000e-03 -7.9617000000e-03  1.4151000000e-03 -2.2014000000e-03  9.6050000000e-04 -4.8802000000e-03  8.7710000000e-04  8.0706000000e-03
+
+JOB 42
+COORDS -6.7604700000e-01 -1.1330530000e+00 -7.9014200000e-01 -5.3435000000e-01 -2.3959000000e-01 -4.7728600000e-01 -1.7370600000e-01 -1.1851030000e+00 -1.6032690000e+00  6.7595200000e-01  1.0841210000e+00  7.6328900000e-01  9.2523100000e-01  8.2828000000e-01  1.6513420000e+00 -2.4362200000e-01  1.3396170000e+00  8.3635000000e-01
+ENERGY -1.526559796819e+02
+FORCES  7.4316000000e-03  5.6918000000e-03  3.6920000000e-04 -7.2908000000e-03 -1.2724000000e-03 -1.4546000000e-03 -2.1997000000e-03 -3.2960000000e-04  2.5140000000e-03 -5.5700000000e-04 -1.4620000000e-03  6.5543000000e-03 -1.0979000000e-03  2.4446000000e-03 -3.8198000000e-03  3.7138000000e-03 -5.0724000000e-03 -4.1631000000e-03
+
+JOB 43
+COORDS -1.5314600000e-01  1.3439590000e+00 -5.7185900000e-01 -1.3911000000e-01  2.2023370000e+00 -1.4851400000e-01  5.4333700000e-01  1.3880600000e+00 -1.2269920000e+00  1.1478200000e-01 -1.4010480000e+00  6.5682300000e-01  3.5907600000e-01 -6.2892000000e-01  1.4655700000e-01 -1.5044800000e-01 -2.0471840000e+00  2.3070000000e-03
+ENERGY -1.526582026865e+02
+FORCES  3.8620000000e-04  6.2801000000e-03  7.1710000000e-04  1.5420000000e-04 -3.4570000000e-03 -3.1047000000e-03 -2.9123000000e-03 -2.7247000000e-03  4.4458000000e-03 -2.3560000000e-03  5.8509000000e-03 -5.1305000000e-03  3.4635000000e-03 -8.3514000000e-03  1.1938000000e-03  1.2644000000e-03  2.4021000000e-03  1.8785000000e-03
+
+JOB 44
+COORDS -6.0834000000e-02 -1.4207250000e+00  6.4708100000e-01 -1.2813400000e-01 -5.9216300000e-01  1.7254100000e-01  3.9955300000e-01 -1.1972850000e+00  1.4560010000e+00  6.3510000000e-02  1.3219270000e+00 -6.1728900000e-01  1.4364800000e-01  1.1169950000e+00 -1.5488540000e+00 -4.5911000000e-01  2.1234630000e+00 -5.9198400000e-01
+ENERGY -1.526611436894e+02
+FORCES  1.6911000000e-03  9.4022000000e-03 -9.6500000000e-05  1.6500000000e-05 -9.3698000000e-03  1.0573000000e-03 -1.5519000000e-03 -1.3773000000e-03 -1.9705000000e-03 -1.9554000000e-03  4.2989000000e-03 -3.1841000000e-03 -1.2069000000e-03  3.1190000000e-04  5.2738000000e-03  3.0066000000e-03 -3.2658000000e-03 -1.0800000000e-03
+
+JOB 45
+COORDS -5.2630900000e-01  7.4073600000e-01  1.2795470000e+00 -1.0414320000e+00  1.3441930000e+00  7.4408500000e-01  2.3762000000e-02  2.7241900000e-01  6.5158900000e-01  5.1462200000e-01 -7.2661700000e-01 -1.1460060000e+00  3.5275000000e-01 -2.6531000000e-01 -1.9689430000e+00  8.7209500000e-01 -1.5737650000e+00 -1.4120590000e+00
+ENERGY -1.526600970434e+02
+FORCES  1.6441000000e-03 -3.0187000000e-03 -8.3456000000e-03  1.4601000000e-03 -1.3368000000e-03  1.6478000000e-03 -2.5540000000e-03  4.9965000000e-03  6.9506000000e-03  4.9550000000e-04 -2.4942000000e-03 -3.9464000000e-03  6.3070000000e-04 -2.2402000000e-03  3.7505000000e-03 -1.6764000000e-03  4.0933000000e-03 -5.6900000000e-05
+
+JOB 46
+COORDS  2.7768400000e-01 -5.7690000000e-01 -1.3262180000e+00 -5.3820000000e-01 -8.4229200000e-01 -1.7506390000e+00  9.2570400000e-01 -5.7688100000e-01 -2.0307050000e+00 -2.4831000000e-01  6.4872300000e-01  1.4099580000e+00  5.5483000000e-02  1.9635500000e-01  6.2299800000e-01 -8.6377600000e-01  3.7927000000e-02  1.8153730000e+00
+ENERGY -1.526608458914e+02
+FORCES -1.0840000000e-04 -1.5110000000e-04 -5.2380000000e-03  4.0618000000e-03  7.2530000000e-04  1.7363000000e-03 -3.7645000000e-03 -5.5380000000e-04  2.1586000000e-03  7.1560000000e-04 -5.2410000000e-03 -5.7510000000e-03 -2.4703000000e-03  3.2685000000e-03  8.7906000000e-03  1.5658000000e-03  1.9522000000e-03 -1.6965000000e-03
+
+JOB 47
+COORDS  4.8746000000e-02 -1.2103630000e+00  8.4794500000e-01 -3.9639800000e-01 -2.0129350000e+00  1.1198950000e+00  5.6627400000e-01 -9.5268000000e-01  1.6108320000e+00 -3.7017000000e-02  1.3031880000e+00 -8.9980200000e-01  1.7043200000e-01  6.9224900000e-01 -1.6068740000e+00 -5.1893900000e-01  7.7705100000e-01 -2.6170900000e-01
+ENERGY -1.526592759826e+02
+FORCES  2.1254000000e-03 -2.6807000000e-03  4.6860000000e-03  2.2415000000e-03  3.7742000000e-03 -1.2750000000e-03 -3.2451000000e-03 -1.6579000000e-03 -3.1482000000e-03 -4.8150000000e-04 -9.2943000000e-03  1.9164000000e-03 -6.4880000000e-04  3.2979000000e-03  7.9500000000e-04  8.5000000000e-06  6.5607000000e-03 -2.9742000000e-03
+
+JOB 48
+COORDS  1.5330460000e+00  2.3865800000e-01  2.5647600000e-01  1.9354310000e+00 -6.2801600000e-01  3.1298900000e-01  6.1364700000e-01  6.3751000000e-02  5.5616000000e-02 -1.4540890000e+00 -2.0795600000e-01 -2.8205200000e-01 -1.9753910000e+00  5.6030400000e-01 -5.1497400000e-01 -1.8133820000e+00 -4.9638800000e-01  5.5696400000e-01
+ENERGY -1.526615921286e+02
+FORCES -6.7067000000e-03 -3.9671000000e-03 -2.5731000000e-03 -1.6681000000e-03  2.6322000000e-03  2.1560000000e-04  1.0048000000e-02  1.2832000000e-03  3.2283000000e-03 -6.0217000000e-03  2.5058000000e-03  1.5841000000e-03  1.9641000000e-03 -4.0133000000e-03  1.6659000000e-03  2.3845000000e-03  1.5592000000e-03 -4.1207000000e-03
+
+JOB 49
+COORDS  8.2733900000e-01 -1.1412340000e+00 -6.0755700000e-01  6.6901700000e-01 -1.4168740000e+00  2.9532100000e-01  1.7745380000e+00 -1.0121950000e+00 -6.5649600000e-01 -9.1399900000e-01  1.2058640000e+00  5.6203400000e-01 -7.5541300000e-01  5.4999200000e-01  1.2409410000e+00 -3.5438400000e-01  9.3721100000e-01 -1.6658700000e-01
+ENERGY -1.526568260452e+02
+FORCES  4.1647000000e-03 -3.5090000000e-03  3.1291000000e-03 -8.7200000000e-05  3.3156000000e-03 -3.4519000000e-03 -4.9283000000e-03  7.3200000000e-05  4.9110000000e-04  4.4527000000e-03 -6.4985000000e-03 -3.0081000000e-03 -2.9380000000e-04  1.4263000000e-03 -1.1835000000e-03 -3.3082000000e-03  5.1923000000e-03  4.0233000000e-03
+
+JOB 50
+COORDS -2.4864800000e-01 -1.0685960000e+00  1.1450400000e+00 -9.4906300000e-01 -1.6884570000e+00  9.4151300000e-01 -2.9661700000e-01 -4.1479000000e-01  4.4756700000e-01  3.0070600000e-01  1.0907950000e+00 -1.0287660000e+00  9.6924100000e-01  9.3680200000e-01 -1.6962830000e+00 -5.2744000000e-01  9.0407200000e-01 -1.4709650000e+00
+ENERGY -1.526582213218e+02
+FORCES -1.7430000000e-04  3.5959000000e-03 -4.9342000000e-03  2.4564000000e-03  2.8908000000e-03 -3.1120000000e-04 -4.9245000000e-03 -6.9653000000e-03  4.7809000000e-03  2.6219000000e-03  8.1980000000e-04 -6.5965000000e-03 -3.8652000000e-03  1.3226000000e-03  2.4424000000e-03  3.8857000000e-03 -1.6638000000e-03  4.6186000000e-03
+
+JOB 51
+COORDS  5.4822300000e-01 -3.2853100000e-01  1.4952580000e+00  1.2088080000e+00 -1.0084980000e+00  1.3629550000e+00  3.8402800000e-01  2.0260000000e-02  6.1912000000e-01 -5.6084000000e-01  3.6884800000e-01 -1.3690700000e+00 -2.1405200000e-01  6.8189500000e-01 -2.2045170000e+00 -1.2128430000e+00 -2.8880600000e-01 -1.6111770000e+00
+ENERGY -1.526607320929e+02
+FORCES  3.5720000000e-04  3.0220000000e-04 -7.2149000000e-03 -2.2203000000e-03  2.0622000000e-03  4.4660000000e-04  3.1640000000e-03 -2.5300000000e-03  8.6425000000e-03 -2.7994000000e-03 -1.0068000000e-03 -5.4832000000e-03 -1.9241000000e-03 -1.9789000000e-03  3.4297000000e-03  3.4226000000e-03  3.1513000000e-03  1.7930000000e-04
+
+JOB 52
+COORDS -1.5630400000e-01  1.4176100000e-01 -1.6416180000e+00 -1.0282070000e+00  4.5719500000e-01 -1.4038800000e+00  2.0094300000e-01 -2.1268700000e-01 -8.2738700000e-01  2.1549400000e-01 -9.5052000000e-02  1.5432710000e+00  6.4905200000e-01 -8.7257100000e-01  1.8950150000e+00 -6.8604700000e-01 -1.5978700000e-01  1.8583360000e+00
+ENERGY -1.526586440413e+02
+FORCES -9.3770000000e-04  7.9170000000e-04  8.5082000000e-03  2.0344000000e-03 -1.1526000000e-03 -1.5470000000e-03 -9.9740000000e-04 -8.8770000000e-04 -8.0634000000e-03 -1.8989000000e-03 -2.4684000000e-03  6.0209000000e-03 -2.3059000000e-03  3.5542000000e-03 -2.6021000000e-03  4.1055000000e-03  1.6280000000e-04 -2.3166000000e-03
+
+JOB 53
+COORDS -1.2780930000e+00 -3.2326500000e-01 -8.6082000000e-01 -1.9762880000e+00 -7.2873600000e-01 -1.3749690000e+00 -1.2234230000e+00 -8.5647500000e-01 -6.7769000000e-02  1.3297070000e+00  3.9106900000e-01  9.0541800000e-01  8.9378900000e-01  9.4209000000e-01  2.5535400000e-01  1.4572020000e+00 -4.4774500000e-01  4.6228200000e-01
+ENERGY -1.526580192040e+02
+FORCES -4.1219000000e-03 -3.5358000000e-03  1.4550000000e-03  3.0308000000e-03  1.3014000000e-03  2.6552000000e-03  1.4300000000e-04  1.5108000000e-03 -4.8736000000e-03 -1.6654000000e-03 -1.6100000000e-05 -6.8994000000e-03  3.4199000000e-03 -1.3804000000e-03  4.4075000000e-03 -8.0640000000e-04  2.1200000000e-03  3.2553000000e-03
+
+JOB 54
+COORDS -8.4071100000e-01  1.3886350000e+00 -1.8854900000e-01 -4.0155800000e-01  6.2291200000e-01 -5.5874300000e-01 -1.7400110000e+00  1.3287080000e+00 -5.1088300000e-01  8.7670400000e-01 -1.3141340000e+00  1.6461100000e-01  1.4646670000e+00 -1.4276740000e+00  9.1136400000e-01  7.8249000000e-02 -1.7789010000e+00  4.1499800000e-01
+ENERGY -1.526581050586e+02
+FORCES  1.3475000000e-03 -4.4486000000e-03 -2.5567000000e-03 -6.0683000000e-03  5.5521000000e-03 -2.3840000000e-04  3.4218000000e-03 -7.0800000000e-04  1.5611000000e-03  8.2270000000e-04 -2.2718000000e-03  6.5750000000e-03 -2.5487000000e-03 -7.8100000000e-04 -3.1875000000e-03  3.0251000000e-03  2.6572000000e-03 -2.1535000000e-03
+
+JOB 55
+COORDS -4.2390700000e-01  7.5104400000e-01 -1.4460520000e+00  1.4081300000e-01  1.3333610000e+00 -9.3789000000e-01 -1.1082350000e+00  4.8448400000e-01 -8.3215300000e-01  4.4470100000e-01 -7.4042100000e-01  1.4473730000e+00 -3.6669200000e-01 -1.1465550000e+00  1.1425310000e+00  1.0347710000e+00 -7.8914200000e-01  6.9525900000e-01
+ENERGY -1.526560048149e+02
+FORCES -1.0834000000e-03  3.2102000000e-03  5.9744000000e-03 -1.4791000000e-03 -2.8743000000e-03 -3.2977000000e-03  2.4333000000e-03 -8.2550000000e-04 -2.9525000000e-03 -3.1000000000e-05 -3.6322000000e-03 -5.4413000000e-03  2.1470000000e-03  3.0525000000e-03  1.2948000000e-03 -1.9868000000e-03  1.0692000000e-03  4.4222000000e-03
+
+JOB 56
+COORDS  6.9999700000e-01 -4.2656100000e-01 -1.4643670000e+00  1.5918830000e+00 -6.7839100000e-01 -1.2248820000e+00  3.5595800000e-01 -1.1836320000e+00 -1.9384060000e+00 -7.3242900000e-01  4.0474900000e-01  1.4805830000e+00 -5.1222800000e-01  9.5700400000e-01  7.3041100000e-01 -8.6801500000e-01  1.0208080000e+00  2.2005270000e+00
+ENERGY -1.526565933388e+02
+FORCES  1.9398000000e-03 -5.7796000000e-03 -3.1580000000e-04 -3.3982000000e-03  1.3194000000e-03 -1.6006000000e-03  1.9243000000e-03  3.0861000000e-03  1.3437000000e-03  6.9410000000e-04  4.1441000000e-03 -2.3893000000e-03 -2.0012000000e-03 -2.7210000000e-04  5.9595000000e-03  8.4120000000e-04 -2.4979000000e-03 -2.9975000000e-03
+
+JOB 57
+COORDS -2.0612500000e-01 -1.5327800000e+00 -9.0160900000e-01 -7.2708200000e-01 -1.9431440000e+00 -2.1136500000e-01 -6.8867800000e-01 -7.3701700000e-01 -1.1255190000e+00  2.1804700000e-01  1.5462390000e+00  9.1051200000e-01  1.1735280000e+00  1.5757340000e+00  9.5969000000e-01  3.3372000000e-02  9.4889000000e-01  1.8573500000e-01
+ENERGY -1.526546326833e+02
+FORCES -5.6263000000e-03 -1.3285000000e-03  1.4870000000e-03  2.5137000000e-03  1.9284000000e-03 -3.5572000000e-03  4.4573000000e-03 -1.0170000000e-03  3.1268000000e-03  5.0186000000e-03 -3.6869000000e-03 -2.6487000000e-03 -3.9670000000e-03  6.8660000000e-04  2.0940000000e-04 -2.3963000000e-03  3.4174000000e-03  1.3828000000e-03
+
+JOB 58
+COORDS -8.3369500000e-01  1.5869650000e+00 -4.8087600000e-01 -8.9085700000e-01  8.5330500000e-01 -1.0930100000e+00 -1.5012800000e+00  1.4011400000e+00  1.7945000000e-01  8.6062000000e-01 -1.5861390000e+00  5.1890100000e-01  9.7232800000e-01 -1.6407080000e+00 -4.3019100000e-01  1.0030980000e+00 -6.6222100000e-01  7.2458700000e-01
+ENERGY -1.526561622043e+02
+FORCES -5.0118000000e-03 -3.3639000000e-03 -9.8300000000e-05  1.4837000000e-03  3.0336000000e-03  2.4474000000e-03  3.2246000000e-03  1.1644000000e-03 -2.7583000000e-03  2.2659000000e-03  4.3888000000e-03 -2.5813000000e-03 -1.3808000000e-03  1.8070000000e-04  3.4603000000e-03 -5.8160000000e-04 -5.4036000000e-03 -4.6990000000e-04
+
+JOB 59
+COORDS  9.5433300000e-01 -1.4180980000e+00  7.5032200000e-01  1.8004730000e+00 -1.0888780000e+00  1.0534600000e+00  4.2398600000e-01 -6.3210500000e-01  6.1925100000e-01 -9.4932700000e-01  1.4209890000e+00 -7.6917800000e-01 -1.5080890000e+00  1.0934640000e+00 -6.4377000000e-02 -7.9197900000e-01  6.5777300000e-01 -1.3250340000e+00
+ENERGY -1.526558545938e+02
+FORCES  2.4146000000e-03  5.5662000000e-03  1.0486000000e-03 -3.3828000000e-03 -1.7784000000e-03 -1.0804000000e-03  6.9940000000e-04 -5.1741000000e-03  4.0870000000e-04 -4.1644000000e-03 -2.8675000000e-03 -2.0083000000e-03  4.4617000000e-03  7.0900000000e-04 -2.5001000000e-03 -2.8500000000e-05  3.5448000000e-03  4.1314000000e-03
+
+JOB 60
+COORDS  4.5511900000e-01  1.3152350000e+00  1.2579520000e+00 -1.9249400000e-01  1.1236400000e+00  1.9362740000e+00  1.1490890000e+00  6.7145200000e-01  1.4000130000e+00 -4.8954800000e-01 -1.2122830000e+00 -1.2916740000e+00  3.9671600000e-01 -1.3466670000e+00 -1.6273960000e+00 -8.2429700000e-01 -2.0956900000e+00 -1.1375110000e+00
+ENERGY -1.526528523403e+02
+FORCES -1.1270000000e-03 -4.7895000000e-03  2.0395000000e-03  2.8348000000e-03  1.2002000000e-03 -1.9988000000e-03 -1.9172000000e-03  2.8835000000e-03 -2.1770000000e-04  2.3795000000e-03 -3.3967000000e-03 -1.3904000000e-03 -3.5332000000e-03  2.0400000000e-04  1.6881000000e-03  1.3631000000e-03  3.8985000000e-03 -1.2080000000e-04
+
+JOB 61
+COORDS  1.7809800000e-01  1.3486180000e+00 -1.2423820000e+00 -4.3259600000e-01  2.0852520000e+00 -1.2168060000e+00  1.0401540000e+00  1.7546020000e+00 -1.3333110000e+00 -1.8570200000e-01 -1.4480720000e+00  1.2952180000e+00 -1.9383000000e-02 -5.1280900000e-01  1.1775130000e+00 -5.4090100000e-01 -1.7363410000e+00  4.5440500000e-01
+ENERGY -1.526574803735e+02
+FORCES  1.4411000000e-03  5.7559000000e-03 -2.1100000000e-03  2.7587000000e-03 -3.3227000000e-03  2.0460000000e-04 -3.9455000000e-03 -1.6074000000e-03  6.4990000000e-04 -4.6950000000e-04  3.8828000000e-03 -5.6647000000e-03 -6.5150000000e-04 -4.4756000000e-03  3.0897000000e-03  8.6680000000e-04 -2.3300000000e-04  3.8304000000e-03
+
+JOB 62
+COORDS  1.2963700000e-01 -1.8252660000e+00 -5.8525100000e-01  4.6193200000e-01 -2.7228230000e+00 -5.9947400000e-01  3.6297000000e-01 -1.4693600000e+00 -1.4426410000e+00 -1.5325000000e-01  1.8065590000e+00  6.8432800000e-01 -8.5509700000e-01  1.8394160000e+00  3.4280000000e-02  3.7572400000e-01  2.5841040000e+00  5.0588700000e-01
+ENERGY -1.526528798117e+02
+FORCES  2.9175000000e-03 -1.7898000000e-03 -3.0647000000e-03 -1.3832000000e-03  3.7321000000e-03  1.0630000000e-04 -1.4213000000e-03 -1.5618000000e-03  3.0915000000e-03 -1.1629000000e-03  2.5189000000e-03 -3.1469000000e-03  3.0530000000e-03  4.7270000000e-04  2.3737000000e-03 -2.0030000000e-03 -3.3722000000e-03  6.4020000000e-04
+
+JOB 63
+COORDS -1.0757590000e+00 -1.6437650000e+00 -1.6499300000e-01 -1.7637100000e+00 -2.1491450000e+00 -5.9806000000e-01 -1.4415060000e+00 -1.4260250000e+00  6.9235800000e-01  1.0845360000e+00  1.6557400000e+00  1.9167100000e-01  1.1054830000e+00  1.3115170000e+00 -7.0124800000e-01  1.9247460000e+00  2.1021470000e+00  2.9655300000e-01
+ENERGY -1.526550633750e+02
+FORCES -4.2949000000e-03 -7.1650000000e-04  2.7144000000e-03  2.9088000000e-03  2.1197000000e-03  1.6135000000e-03  9.1780000000e-04 -1.7590000000e-03 -3.7320000000e-03  3.1775000000e-03 -6.6160000000e-04 -3.7418000000e-03  6.6910000000e-04  2.7723000000e-03  3.5014000000e-03 -3.3782000000e-03 -1.7548000000e-03 -3.5560000000e-04
+
+JOB 64
+COORDS  1.1666910000e+00  1.6636630000e+00 -4.7376000000e-02  1.3840420000e+00  2.3206750000e+00 -7.0868200000e-01  1.1841820000e+00  2.1423690000e+00  7.8133700000e-01 -1.1612510000e+00 -1.7596370000e+00 -1.7617000000e-02 -1.1422760000e+00 -8.0783400000e-01  8.2100000000e-02 -1.4923170000e+00 -2.0822000000e+00  8.2058300000e-01
+ENERGY -1.526553284576e+02
+FORCES  2.3001000000e-03  5.0992000000e-03  1.0730000000e-04 -9.4010000000e-04 -2.5944000000e-03  3.0166000000e-03 -5.7370000000e-04 -2.2090000000e-03 -3.4254000000e-03 -8.2200000000e-05  3.5358000000e-03  3.4180000000e-03 -1.9156000000e-03 -5.0528000000e-03  6.3100000000e-05  1.2116000000e-03  1.2213000000e-03 -3.1796000000e-03
+
+JOB 65
+COORDS -1.5939000000e-01 -1.7326830000e+00 -1.2711420000e+00  6.7825900000e-01 -1.3943920000e+00 -1.5875810000e+00 -7.7418000000e-02 -1.7226750000e+00 -3.1751100000e-01  1.3402500000e-01  1.7205570000e+00  1.1736890000e+00  2.5355000000e-01  2.3042430000e+00  1.9228600000e+00 -4.0091500000e-01  1.0024440000e+00  1.5118970000e+00
+ENERGY -1.526542414485e+02
+FORCES  4.3774000000e-03  2.3284000000e-03  2.2528000000e-03 -3.4133000000e-03 -2.1691000000e-03  9.9990000000e-04 -1.0461000000e-03 -2.0040000000e-04 -3.2559000000e-03 -2.4001000000e-03  3.7560000000e-04  4.5434000000e-03 -4.8090000000e-04 -2.5188000000e-03 -3.1724000000e-03  2.9630000000e-03  2.1842000000e-03 -1.3677000000e-03
+
+JOB 66
+COORDS -2.5133400000e-01 -6.5036900000e-01 -2.0389890000e+00  2.2040800000e-01 -1.7120800000e-01 -2.7202360000e+00 -6.2557300000e-01  3.1621000000e-02 -1.4812550000e+00  2.6951300000e-01  6.3279400000e-01  2.0126790000e+00  4.4455600000e-01 -2.9428800000e-01  1.8510870000e+00 -3.2230700000e-01  6.3770800000e-01  2.7649800000e+00
+ENERGY -1.526559771690e+02
+FORCES  4.9550000000e-04  5.4025000000e-03 -3.5940000000e-04 -1.9486000000e-03 -2.0303000000e-03  2.5188000000e-03  1.2406000000e-03 -3.5380000000e-03 -3.0308000000e-03 -1.0527000000e-03 -4.1571000000e-03  3.1416000000e-03 -1.0957000000e-03  4.3270000000e-03  9.3070000000e-04  2.3608000000e-03 -4.0000000000e-06 -3.2009000000e-03
+
+JOB 67
+COORDS  4.1398500000e-01  1.1212830000e+00 -1.8444240000e+00 -3.5748000000e-02  1.8933530000e+00 -2.1877580000e+00  1.2614520000e+00  1.4505340000e+00 -1.5450470000e+00 -3.7998900000e-01 -1.1686150000e+00  1.8108760000e+00 -7.0041400000e-01 -7.2914900000e-01  2.5985500000e+00 -1.0498130000e+00 -1.8227590000e+00  1.6117210000e+00
+ENERGY -1.526533632878e+02
+FORCES  1.8852000000e-03  4.1262000000e-03  7.1700000000e-04  1.6693000000e-03 -3.1681000000e-03  1.3439000000e-03 -3.3538000000e-03 -9.6430000000e-04 -1.7491000000e-03 -4.3693000000e-03 -7.3720000000e-04  1.4924000000e-03  1.4549000000e-03 -1.7058000000e-03 -3.0778000000e-03  2.7137000000e-03  2.4493000000e-03  1.2736000000e-03
+
+JOB 68
+COORDS  1.0205730000e+00  1.7697640000e+00  8.8116700000e-01  1.0012390000e+00  1.9713560000e+00  1.8166980000e+00  1.9100130000e+00  1.4538160000e+00  7.2208600000e-01 -1.0493700000e+00 -1.6956230000e+00 -9.2295000000e-01 -1.1339890000e+00 -2.2330980000e+00 -1.3542700000e-01 -1.2316500000e+00 -2.2972210000e+00 -1.6448130000e+00
+ENERGY -1.526530715951e+02
+FORCES  3.4286000000e-03 -9.1270000000e-04  2.6118000000e-03 -2.2200000000e-05 -8.8650000000e-04 -3.7546000000e-03 -3.4195000000e-03  1.5715000000e-03  9.1790000000e-04 -1.2194000000e-03 -4.2645000000e-03  5.8760000000e-04  3.6980000000e-04  1.9307000000e-03 -3.2913000000e-03  8.6270000000e-04  2.5617000000e-03  2.9287000000e-03
+
+JOB 69
+COORDS  7.0458400000e-01 -2.1162700000e+00 -3.5619200000e-01  6.2873700000e-01 -2.9778910000e+00  5.3793000000e-02  1.6009430000e+00 -2.0877830000e+00 -6.9080000000e-01 -7.7634000000e-01  2.2168510000e+00  3.7813000000e-01 -2.7967100000e-01  2.1412150000e+00 -4.3662900000e-01 -7.9266600000e-01  1.3278720000e+00  7.3264600000e-01
+ENERGY -1.526557195544e+02
+FORCES  3.4988000000e-03 -4.2876000000e-03  1.7320000000e-04  4.2680000000e-04  3.6128000000e-03 -1.7092000000e-03 -3.7936000000e-03  8.5200000000e-05  1.3915000000e-03  1.9781000000e-03 -4.9708000000e-03 -2.0823000000e-03 -1.8026000000e-03  1.0198000000e-03  3.0807000000e-03 -3.0770000000e-04  4.5405000000e-03 -8.5400000000e-04
+
+JOB 70
+COORDS -1.1765000000e-01  1.7999530000e+00 -1.4904430000e+00  5.4708900000e-01  1.7327650000e+00 -2.1758910000e+00 -9.0047300000e-01  2.1111010000e+00 -1.9449820000e+00  1.2038100000e-01 -1.7645160000e+00  1.5039240000e+00  7.7740200000e-01 -2.4597110000e+00  1.5394160000e+00 -4.4679900000e-01 -1.9316900000e+00  2.2566470000e+00
+ENERGY -1.526529095047e+02
+FORCES -4.5560000000e-04  3.2410000000e-04 -4.4275000000e-03 -2.6533000000e-03  4.8500000000e-04  2.6911000000e-03  3.1587000000e-03 -1.1164000000e-03  1.8861000000e-03  3.1040000000e-04 -3.0853000000e-03  3.1806000000e-03 -2.6501000000e-03  2.8204000000e-03 -2.4670000000e-04  2.2899000000e-03  5.7220000000e-04 -3.0836000000e-03
+
+JOB 71
+COORDS -2.1319400000e+00  6.0342000000e-01  1.2276450000e+00 -1.4809640000e+00  3.5125200000e-01  1.8825290000e+00 -2.4085580000e+00 -2.2376100000e-01  8.3332700000e-01  2.1085000000e+00 -4.9130000000e-01 -1.2989540000e+00  2.4417350000e+00 -1.3886190000e+00 -1.2965830000e+00  1.7900980000e+00 -3.5118500000e-01 -4.0720300000e-01
+ENERGY -1.526536119700e+02
+FORCES  8.4470000000e-04 -4.2581000000e-03  9.4700000000e-04 -2.1749000000e-03  9.2890000000e-04 -2.9751000000e-03  1.3583000000e-03  3.3732000000e-03  1.8667000000e-03  1.2000000000e-04 -2.6735000000e-03  3.5098000000e-03 -1.5397000000e-03  3.6596000000e-03  7.7700000000e-05  1.3917000000e-03 -1.0301000000e-03 -3.4261000000e-03
+
+JOB 72
+COORDS -1.8872810000e+00  7.3653800000e-01 -1.4838140000e+00 -2.7181200000e+00  1.0085610000e+00 -1.0940170000e+00 -1.3719880000e+00  1.5414760000e+00 -1.5365400000e+00  1.8969750000e+00 -8.1664000000e-01  1.4068170000e+00  2.0442750000e+00 -1.2713480000e+00  2.2361400000e+00  1.8291560000e+00  1.0710000000e-01  1.6483460000e+00
+ENERGY -1.526533129169e+02
+FORCES -1.0354000000e-03  4.1024000000e-03  1.3564000000e-03  3.3978000000e-03 -1.0741000000e-03 -1.5561000000e-03 -2.1822000000e-03 -3.1099000000e-03  3.1840000000e-04 -9.0100000000e-05  1.7807000000e-03  4.2029000000e-03 -5.4570000000e-04  1.8721000000e-03 -3.3702000000e-03  4.5550000000e-04 -3.5712000000e-03 -9.5150000000e-04
+
+JOB 73
+COORDS -6.3209900000e-01 -2.2440590000e+00 -1.2148730000e+00 -4.2136200000e-01 -3.0218160000e+00 -6.9823300000e-01 -1.1672000000e-02 -1.5803860000e+00 -9.1347700000e-01  5.4259600000e-01  2.2034600000e+00  1.1541190000e+00  1.1856080000e+00  2.2023120000e+00  1.8631790000e+00  6.6603800000e-01  3.0473550000e+00  7.1956800000e-01
+ENERGY -1.526547601797e+02
+FORCES  3.2408000000e-03  2.8130000000e-04  3.6959000000e-03 -8.0490000000e-04  2.9383000000e-03 -2.1208000000e-03 -2.3051000000e-03 -3.5289000000e-03 -1.6783000000e-03  2.8048000000e-03  4.0767000000e-03  1.2770000000e-03 -2.5722000000e-03 -2.2560000000e-04 -3.0314000000e-03 -3.6330000000e-04 -3.5419000000e-03  1.8577000000e-03
+
+JOB 74
+COORDS  1.1613480000e+00 -1.7838950000e+00  1.7510360000e+00  1.9181720000e+00 -2.2172980000e+00  1.3565610000e+00  4.0536300000e-01 -2.1773440000e+00  1.3152420000e+00 -1.1649300000e+00  1.8529140000e+00 -1.7638640000e+00 -1.8826300000e+00  1.6614290000e+00 -1.1601490000e+00 -3.7214900000e-01  1.6640680000e+00 -1.2618020000e+00
+ENERGY -1.526546565114e+02
+FORCES  2.8760000000e-04 -3.9983000000e-03 -3.0808000000e-03 -3.1868000000e-03  1.9066000000e-03  1.5799000000e-03  3.0140000000e-03  2.0246000000e-03  1.7054000000e-03  4.8630000000e-04 -1.2567000000e-03  4.8241000000e-03  2.7764000000e-03  6.1040000000e-04 -2.6032000000e-03 -3.3776000000e-03  7.1330000000e-04 -2.4254000000e-03
+
+JOB 75
+COORDS  2.7168500000e-01 -2.6223610000e+00  1.4120400000e+00  3.2119500000e-01 -2.2996730000e+00  2.3118470000e+00  2.9889400000e-01 -1.8325210000e+00  8.7199800000e-01 -2.6651700000e-01  2.4951530000e+00 -1.4440760000e+00 -7.5693600000e-01  2.9079320000e+00 -7.3320700000e-01  7.3753000000e-02  3.2276350000e+00 -1.9578060000e+00
+ENERGY -1.526545939975e+02
+FORCES  3.6650000000e-04  4.7239000000e-03  1.0547000000e-03 -2.4120000000e-04 -1.3297000000e-03 -3.5061000000e-03 -1.3470000000e-04 -3.5097000000e-03  2.6241000000e-03 -6.9520000000e-04  4.9866000000e-03  3.5370000000e-04  2.1311000000e-03 -1.9015000000e-03 -2.7266000000e-03 -1.4265000000e-03 -2.9697000000e-03  2.2000000000e-03
+
+JOB 76
+COORDS -9.4680800000e-01 -2.4342660000e+00 -1.3421500000e+00 -1.7114870000e+00 -2.6349900000e+00 -8.0251200000e-01 -1.3094340000e+00 -2.0368980000e+00 -2.1338780000e+00  1.0229760000e+00  2.3951400000e+00  1.4147380000e+00  2.3923100000e-01  2.7373470000e+00  9.8477200000e-01  1.7276990000e+00  2.5465230000e+00  7.8491300000e-01
+ENERGY -1.526538574902e+02
+FORCES -4.5767000000e-03  7.0790000000e-04 -7.3940000000e-04  3.0523000000e-03  8.0180000000e-04 -2.3616000000e-03  1.5280000000e-03 -1.4910000000e-03  3.1921000000e-03 -2.2740000000e-04  1.5682000000e-03 -4.5130000000e-03  3.0825000000e-03 -1.2272000000e-03  1.8024000000e-03 -2.8588000000e-03 -3.5970000000e-04  2.6196000000e-03
+
+JOB 77
+COORDS  1.0186720000e+00  1.3503410000e+00 -2.6026480000e+00  1.2519780000e+00  2.1719900000e+00 -3.0347290000e+00  9.9138600000e-01  7.0637000000e-01 -3.3103120000e+00 -1.0403170000e+00 -1.3316910000e+00  2.7309360000e+00 -7.4288200000e-01 -2.2235770000e+00  2.5512030000e+00 -1.1574390000e+00 -9.3887500000e-01  1.8659450000e+00
+ENERGY -1.526544498716e+02
+FORCES  1.0365000000e-03  1.0187000000e-03 -4.7489000000e-03 -9.7590000000e-04 -3.4234000000e-03  1.7035000000e-03  1.8600000000e-05  2.5164000000e-03  3.0021000000e-03  9.7530000000e-04 -1.7105000000e-03 -4.5013000000e-03 -1.2686000000e-03  3.4708000000e-03  8.0730000000e-04  2.1420000000e-04 -1.8719000000e-03  3.7372000000e-03
+
+JOB 78
+COORDS -7.9688400000e-01 -3.3849200000e+00 -1.0209200000e-01 -1.6950210000e+00 -3.0542680000e+00 -8.6205000000e-02 -4.9015300000e-01 -3.2898170000e+00  7.9963100000e-01  8.0526600000e-01  3.3361520000e+00 -7.2800000000e-03  8.6290400000e-01  4.2479080000e+00  2.7839700000e-01  1.2410400000e+00  2.8396240000e+00  6.8539100000e-01
+ENERGY -1.526539710066e+02
+FORCES -2.4843000000e-03  1.9086000000e-03  3.5853000000e-03  3.6562000000e-03 -1.4815000000e-03  2.5200000000e-05 -1.1812000000e-03 -4.0280000000e-04 -3.6068000000e-03  2.1633000000e-03  1.6829000000e-03  3.8559000000e-03 -2.7680000000e-04 -3.7429000000e-03 -1.1402000000e-03 -1.8772000000e-03  2.0357000000e-03 -2.7193000000e-03
+
+JOB 79
+COORDS -2.6323700000e-01  3.3212250000e+00  1.4666730000e+00 -6.6001500000e-01  2.7482150000e+00  8.1058000000e-01 -5.0456100000e-01  4.2053900000e+00  1.1905430000e+00  3.1238600000e-01 -3.3100810000e+00 -1.4710380000e+00  8.8851700000e-01 -3.9117020000e+00 -9.9949100000e-01 -4.8079300000e-01 -3.2690860000e+00 -9.3679100000e-01
+ENERGY -1.526541935155e+02
+FORCES -2.4725000000e-03  1.2620000000e-03 -3.9581000000e-03  1.4932000000e-03  2.3432000000e-03  2.8070000000e-03  9.5070000000e-04 -3.5862000000e-03  1.1678000000e-03 -7.4600000000e-04 -2.3914000000e-03  4.1807000000e-03 -2.3961000000e-03  2.4277000000e-03 -1.9617000000e-03  3.1707000000e-03 -5.5300000000e-05 -2.2357000000e-03
+
+JOB 80
+COORDS  1.0574140000e+00  3.6717810000e+00  2.5925000000e-01  9.1594400000e-01  4.5243190000e+00  6.7082900000e-01  1.9366940000e+00  3.4144030000e+00  5.3647600000e-01 -1.0765000000e+00 -3.7580360000e+00 -2.5606200000e-01 -1.7254160000e+00 -3.0820000000e+00 -6.0834000000e-02 -8.0936900000e-01 -3.5809510000e+00 -1.1580120000e+00
+ENERGY -1.526543113756e+02
+FORCES  3.0789000000e-03  2.4579000000e-03  2.8697000000e-03  5.5730000000e-04 -3.4806000000e-03 -1.6905000000e-03 -3.6084000000e-03  1.0642000000e-03 -1.1663000000e-03 -1.5350000000e-03  3.6838000000e-03 -2.8839000000e-03  2.5812000000e-03 -2.8860000000e-03 -7.7280000000e-04 -1.0740000000e-03 -8.3940000000e-04  3.6438000000e-03
+
+JOB 81
+COORDS  2.2695400000e+00 -3.8048100000e-01  3.5095380000e+00  1.3780120000e+00 -3.8143200000e-01  3.8579760000e+00  2.6852620000e+00 -1.1430670000e+00  3.9118670000e+00 -2.2769020000e+00  4.8153900000e-01 -3.5689820000e+00 -1.4624050000e+00  1.0028700000e-01 -3.8968150000e+00 -2.5804500000e+00 -1.3632100000e-01 -2.9038960000e+00
+ENERGY -1.526540872743e+02
+FORCES -1.8969000000e-03 -3.0140000000e-03  3.1761000000e-03  3.6232000000e-03 -5.8400000000e-05 -1.4822000000e-03 -1.7209000000e-03  3.0868000000e-03 -1.6927000000e-03  2.2255000000e-03 -4.0222000000e-03  1.4379000000e-03 -3.3865000000e-03  1.5176000000e-03  1.2767000000e-03  1.1556000000e-03  2.4901000000e-03 -2.7158000000e-03
+
+JOB 82
+COORDS -4.0189500000e-01  2.6735050000e+00  3.8555670000e+00  2.8686400000e-01  3.1770840000e+00  4.2894450000e+00 -9.2672900000e-01  3.3299130000e+00  3.3974080000e+00  3.7766100000e-01 -2.8099600000e+00 -3.8664770000e+00  1.2474900000e+00 -2.4267280000e+00 -3.7535020000e+00 -2.2398200000e-01 -2.0713630000e+00 -3.7730360000e+00
+ENERGY -1.526540819051e+02
+FORCES  6.3650000000e-04  4.7388000000e-03  1.9000000000e-05 -2.8026000000e-03 -2.0556000000e-03 -1.8150000000e-03  2.1646000000e-03 -2.6966000000e-03  1.8063000000e-03  1.0823000000e-03  4.5734000000e-03  9.8320000000e-04 -3.5288000000e-03 -1.5604000000e-03 -5.3030000000e-04  2.4479000000e-03 -2.9996000000e-03 -4.6330000000e-04
+
+JOB 83
+COORDS  9.9874000000e-01  4.6291350000e+00 -2.7070010000e+00  4.1086200000e-01  4.2236160000e+00 -2.0696740000e+00  9.2770000000e-01  5.5681590000e+00 -2.5354820000e+00 -1.0129050000e+00 -4.6876450000e+00  2.6825840000e+00 -2.3954100000e-01 -4.4474420000e+00  3.1929190000e+00 -8.2142400000e-01 -4.3789550000e+00  1.7969900000e+00
+ENERGY -1.526541003049e+02
+FORCES -2.7149000000e-03  2.2416000000e-03  3.2671000000e-03  2.4250000000e-03  1.6048000000e-03 -2.5849000000e-03  2.9740000000e-04 -3.8469000000e-03 -6.8860000000e-04  3.9681000000e-03  2.1822000000e-03 -1.5523000000e-03 -3.1721000000e-03 -9.5460000000e-04 -2.0713000000e-03 -8.0340000000e-04 -1.2271000000e-03  3.6300000000e-03
+
+JOB 84
+COORDS  9.3851700000e-01 -4.9749530000e+00  3.6962960000e+00  1.4565370000e+00 -4.9545070000e+00  2.8916410000e+00  5.8174800000e-01 -4.0901820000e+00  3.7745810000e+00 -9.5037700000e-01  4.9008850000e+00 -3.7148970000e+00 -6.3688600000e-01  4.4562940000e+00 -2.9273100000e+00 -1.2210820000e+00  5.7668900000e+00 -3.4099590000e+00
+ENERGY -1.526540367929e+02
+FORCES  6.5520000000e-04  3.6570000000e-03 -2.9768000000e-03 -2.1146000000e-03 -6.1700000000e-05  3.2939000000e-03  1.4588000000e-03 -3.5882000000e-03 -3.1660000000e-04  1.5830000000e-04  1.7688000000e-03  4.4298000000e-03 -1.2700000000e-03  1.7767000000e-03 -3.1987000000e-03  1.1122000000e-03 -3.5527000000e-03 -1.2315000000e-03
+
+JOB 85
+COORDS  4.0315700000e-01  5.2508710000e+00  3.3095480000e+00  1.2450620000e+00  5.4265460000e+00  2.8893520000e+00  1.7109700000e-01  6.0757350000e+00  3.7361380000e+00 -4.0160700000e-01 -5.3127320000e+00 -3.3645510000e+00 -2.1508300000e-01 -5.6235050000e+00 -2.4786280000e+00 -1.2670180000e+00 -4.9088460000e+00 -3.2999620000e+00
+ENERGY -1.526541257385e+02
+FORCES  2.5021000000e-03  4.0969000000e-03  1.7100000000e-05 -3.4398000000e-03 -7.2140000000e-04  1.7208000000e-03  9.4020000000e-04 -3.3692000000e-03 -1.7362000000e-03 -2.7730000000e-03  4.2090000000e-04  3.9073000000e-03 -7.5380000000e-04  1.2414000000e-03 -3.6247000000e-03  3.5243000000e-03 -1.6686000000e-03 -2.8420000000e-04
+
+JOB 86
+COORDS  4.5152590000e+00  2.6700390000e+00  3.5201280000e+00  3.8512780000e+00  1.9856000000e+00  3.6032220000e+00  5.2615400000e+00  2.2320140000e+00  3.1109460000e+00 -4.4969090000e+00 -2.5708350000e+00 -3.5477300000e+00 -4.3268920000e+00 -2.5072430000e+00 -2.6079000000e+00 -5.0973950000e+00 -3.3113110000e+00 -3.6334210000e+00
+ENERGY -1.526540553421e+02
+FORCES  3.4640000000e-04 -4.5647000000e-03 -1.3613000000e-03  2.6978000000e-03  2.7830000000e-03 -3.2310000000e-04 -3.0475000000e-03  1.7796000000e-03  1.6850000000e-03 -1.7960000000e-03 -2.7467000000e-03  3.4673000000e-03 -6.6530000000e-04 -2.6800000000e-04 -3.8254000000e-03  2.4646000000e-03  3.0168000000e-03  3.5760000000e-04
+
+JOB 87
+COORDS -8.4783810000e+00 -6.2145800000e-01  3.7184950000e+00 -8.0705480000e+00  1.4915700000e-01  3.3234550000e+00 -8.9232840000e+00 -1.0568480000e+00  2.9913580000e+00  8.5027790000e+00  6.6240300000e-01 -3.6385900000e+00  8.8754380000e+00 -1.9805800000e-01 -3.4463280000e+00  7.7360110000e+00  4.7621300000e-01 -4.1804670000e+00
+ENERGY -1.526540708647e+02
+FORCES -1.5500000000e-04  1.3767000000e-03 -4.5712000000e-03 -1.6628000000e-03 -3.1491000000e-03  1.6074000000e-03  1.8181000000e-03  1.7721000000e-03  2.9637000000e-03 -1.5983000000e-03 -4.2733000000e-03 -1.4213000000e-03 -1.5241000000e-03  3.5112000000e-03 -7.8770000000e-04  3.1222000000e-03  7.6250000000e-04  2.2091000000e-03
+
+JOB 88
+COORDS -8.3291160000e+00 -4.8734070000e+00  8.8282800000e-01 -8.4087840000e+00 -3.9686400000e+00  5.8069800000e-01 -7.5993220000e+00 -4.8562900000e+00  1.5019720000e+00  8.3135760000e+00  4.8840850000e+00 -8.8839300000e-01  8.5242060000e+00  4.3087690000e+00 -1.6238390000e+00  7.6864440000e+00  4.3849140000e+00 -3.6516800000e-01
+ENERGY -1.526540634529e+02
+FORCES  2.6371000000e-03  3.7608000000e-03  1.2988000000e-03  3.3360000000e-04 -3.6920000000e-03  1.2308000000e-03 -2.9696000000e-03 -6.9100000000e-05 -2.5301000000e-03 -1.6848000000e-03 -4.3820000000e-03 -8.6980000000e-04 -8.6650000000e-04  2.3461000000e-03  3.0032000000e-03  2.5502000000e-03  2.0362000000e-03 -2.1330000000e-03
+
+JOB 89
+COORDS  8.3036500000e+00 -9.3703400000e-01 -5.7098490000e+00  8.5310970000e+00 -1.6392000000e-02 -5.5797820000e+00  7.4155760000e+00 -9.1677300000e-01 -6.0664250000e+00 -8.2886950000e+00  9.0266800000e-01  5.7891920000e+00 -8.6313950000e+00  1.2547650000e+00  4.9677200000e+00 -7.5863420000e+00  3.0987400000e-01  5.5217440000e+00
+ENERGY -1.526540666416e+02
+FORCES -2.6826000000e-03  3.8400000000e-03 -9.2970000000e-04 -9.3450000000e-04 -3.7568000000e-03 -5.2880000000e-04  3.6167000000e-03 -8.3700000000e-05  1.4590000000e-03  1.4639000000e-03 -9.8840000000e-04 -4.4362000000e-03  1.4008000000e-03 -1.4337000000e-03  3.3486000000e-03 -2.8643000000e-03  2.4225000000e-03  1.0870000000e-03
+
+JOB 0
+COORDS -1.0348780000e+00  4.7781700000e-01 -3.9974700000e-01 -1.2348550000e+00  9.9927900000e-01 -1.1771260000e+00 -1.8282350000e+00  5.2793000000e-01  1.3345600000e-01  1.1094160000e+00 -5.8694700000e-01  4.2664600000e-01  2.8376100000e-01 -1.6330300000e-01  1.9201700000e-01  1.7365800000e+00  1.3263900000e-01  4.9800500000e-01
+ENERGY -1.526559671557e+02
+FORCES  1.5222000000e-02 -6.4919000000e-03  3.8073000000e-03 -1.3883000000e-03 -1.7555000000e-03  5.0697000000e-03  4.0782000000e-03  5.6400000000e-04 -3.9359000000e-03 -1.8316300000e-02  1.1143600000e-02 -7.7391000000e-03  2.9722000000e-03 -2.5828000000e-03  3.9233000000e-03 -2.5679000000e-03 -8.7740000000e-04 -1.1252000000e-03
+
+JOB 1
+COORDS -5.9849000000e-02  1.1031160000e+00  5.9428700000e-01 -8.0606100000e-01  1.0961830000e+00  1.1937460000e+00 -1.6819400000e-01  1.9066290000e+00  8.5505000000e-02  8.0739000000e-02 -1.1893610000e+00 -6.3835600000e-01  8.3654400000e-01 -1.3858320000e+00 -8.4831000000e-02 -1.1499300000e-01 -2.6959000000e-01 -4.5963300000e-01
+ENERGY -1.526573200043e+02
+FORCES -1.6798000000e-03 -7.3624000000e-03 -1.7930000000e-03  4.0723000000e-03  5.8920000000e-04 -4.1497000000e-03 -4.9080000000e-04 -6.4019000000e-03  1.5910000000e-03  2.1053000000e-03  1.8432600000e-02  1.1770900000e-02 -1.6105000000e-03 -1.1429000000e-03 -1.3380000000e-03 -2.3966000000e-03 -4.1145000000e-03 -6.0812000000e-03
+
+JOB 2
+COORDS  9.0618000000e-01  8.6929100000e-01  1.5142900000e-01  8.5655000000e-01  7.2828500000e-01  1.0968850000e+00  1.8282870000e+00  1.0658770000e+00 -1.3815000000e-02 -9.4080000000e-01 -9.3645300000e-01 -1.8133100000e-01 -4.4204900000e-01 -1.2529000000e-01 -8.3894000000e-02 -1.7855760000e+00 -6.5777200000e-01 -5.3477400000e-01
+ENERGY -1.526565995571e+02
+FORCES -2.8976000000e-03 -8.9012000000e-03 -2.9185000000e-03 -1.8690000000e-03 -2.9550000000e-04 -6.8617000000e-03 -3.7055000000e-03 -1.5800000000e-04  3.2841000000e-03  1.0630000000e-02  1.0771600000e-02 -1.7449000000e-03 -5.9114000000e-03 -2.4532000000e-03  7.2310000000e-03  3.7535000000e-03  1.0362000000e-03  1.0099000000e-03
+
+JOB 3
+COORDS  2.1659100000e-01  7.9717600000e-01  1.0862690000e+00  2.2254800000e-01  2.3273900000e-01  3.1321900000e-01  8.8507500000e-01  4.2417000000e-01  1.6609230000e+00 -2.3031700000e-01 -6.7900300000e-01 -1.0566150000e+00 -1.1455210000e+00 -9.5287900000e-01 -1.1168260000e+00  2.7005400000e-01 -1.4612810000e+00 -1.2887830000e+00
+ENERGY -1.526591139336e+02
+FORCES -1.6688000000e-03 -1.0237500000e-02 -1.3495500000e-02  2.6872000000e-03  4.8426000000e-03  8.0713000000e-03 -1.6997000000e-03 -5.2980000000e-04 -3.2257000000e-03 -1.7385000000e-03  2.3133000000e-03  7.2915000000e-03  5.4467000000e-03 -1.1030000000e-04 -8.1720000000e-04 -3.0268000000e-03  3.7217000000e-03  2.1756000000e-03
+
+JOB 4
+COORDS  4.5845300000e-01  3.6510000000e-02 -1.1928180000e+00  1.1058010000e+00  7.4025900000e-01 -1.1491160000e+00  6.5241400000e-01 -4.1739600000e-01 -2.0129280000e+00 -5.7973700000e-01 -6.6160000000e-02  1.2331920000e+00 -9.4872000000e-02  1.7617400000e-01  2.0221230000e+00  8.0745000000e-02 -8.0578000000e-02  5.4052500000e-01
+ENERGY -1.526563283066e+02
+FORCES -2.1189000000e-03 -1.3518000000e-03  2.4103000000e-03 -3.2118000000e-03 -5.2293000000e-03  2.5614000000e-03 -4.2910000000e-04  3.9760000000e-03  3.1800000000e-03  4.7520000000e-03 -1.4719000000e-03 -1.1533400000e-02  2.2240000000e-04 -6.6000000000e-05 -4.8221000000e-03  7.8540000000e-04  4.1430000000e-03  8.2038000000e-03
+
+JOB 5
+COORDS -6.8702100000e-01 -1.1740340000e+00 -1.7608600000e-01 -5.6663300000e-01 -2.5153400000e-01  4.9151000000e-02 -9.9571800000e-01 -1.5804790000e+00  6.3369200000e-01  6.6072800000e-01  1.1026040000e+00  1.5232600000e-01  1.5987700000e+00  1.0396060000e+00 -2.7508000000e-02  3.7201400000e-01  1.8681660000e+00 -3.4445500000e-01
+ENERGY -1.526581836004e+02
+FORCES  6.9892000000e-03  1.1825000000e-02  3.7122000000e-03 -7.7518000000e-03 -4.9113000000e-03 -1.1290000000e-03  1.8569000000e-03  2.5111000000e-03 -1.9421000000e-03  2.2225000000e-03 -7.4442000000e-03 -3.5392000000e-03 -3.9042000000e-03  3.0971000000e-03  8.5490000000e-04  5.8740000000e-04 -5.0776000000e-03  2.0431000000e-03
+
+JOB 6
+COORDS  5.8819400000e-01 -6.1560000000e-01  9.7090100000e-01  3.3151300000e-01 -1.4312070000e+00  1.4011700000e+00  8.5584000000e-01 -4.0161000000e-02  1.6874670000e+00 -5.5935600000e-01  6.8482100000e-01 -1.0521390000e+00 -1.4052330000e+00  3.9726300000e-01 -1.3956990000e+00 -2.6277300000e-01 -4.2444000000e-02 -5.0500400000e-01
+ENERGY -1.526588778053e+02
+FORCES -2.5696000000e-03  6.6035000000e-03 -9.3610000000e-04  3.0850000000e-04  4.5162000000e-03 -2.2913000000e-03 -7.4520000000e-04 -4.9346000000e-03 -1.7366000000e-03  4.9623000000e-03 -7.4733000000e-03  1.0297800000e-02  2.9587000000e-03 -8.3480000000e-04  2.6560000000e-03 -4.9147000000e-03  2.1230000000e-03 -7.9899000000e-03
+
+JOB 7
+COORDS  7.2040900000e-01  1.0506020000e+00  3.2604800000e-01  7.5763300000e-01  5.8817900000e-01  1.1633120000e+00  1.1960200000e+00  1.8666530000e+00  4.8124500000e-01 -7.5628400000e-01 -1.1402540000e+00 -3.7532100000e-01 -1.2703740000e+00 -6.2019000000e-01 -9.9295900000e-01 -1.6681800000e-01 -5.0907000000e-01  3.7435000000e-02
+ENERGY -1.526537722531e+02
+FORCES -4.2720000000e-04 -1.7053000000e-03  8.0650000000e-04 -3.2990000000e-03 -1.7869000000e-03 -8.8553000000e-03 -2.4927000000e-03 -3.9972000000e-03  1.8000000000e-04  4.1776000000e-03  1.2805700000e-02 -2.6401000000e-03  1.0400000000e-04 -2.9960000000e-03  1.0022000000e-03  1.9373000000e-03 -2.3204000000e-03  9.5067000000e-03
+
+JOB 8
+COORDS  9.6029800000e-01  9.8945500000e-01 -3.3203000000e-01  6.0749000000e-01  9.9669000000e-02 -3.2581900000e-01  1.0239630000e+00  1.2288350000e+00  5.9256500000e-01 -9.3150000000e-01 -8.8791700000e-01  3.0312100000e-01 -1.3165980000e+00 -1.1947000000e+00 -5.1774100000e-01 -7.6813800000e-01 -1.6865720000e+00  8.0481200000e-01
+ENERGY -1.526575393737e+02
+FORCES -1.0668300000e-02 -9.1433000000e-03  7.7150000000e-03  6.0482000000e-03  2.5101000000e-03 -5.0528000000e-03  1.3054000000e-03  1.8960000000e-04 -2.3642000000e-03 -1.1678000000e-03  7.9100000000e-05 -1.5693000000e-03  4.1750000000e-03  1.4476000000e-03  4.2439000000e-03  3.0750000000e-04  4.9169000000e-03 -2.9727000000e-03
+
+JOB 9
+COORDS -9.5838000000e-02  7.3177800000e-01  1.0916940000e+00  5.7469400000e-01  1.1408430000e+00  1.6387640000e+00 -6.7633900000e-01  2.9150600000e-01  1.7125090000e+00  1.4299500000e-01 -7.5657600000e-01 -1.1920580000e+00  1.4421800000e-01 -2.0248500000e-01 -4.1153800000e-01 -7.8339700000e-01 -8.6900800000e-01 -1.4051030000e+00
+ENERGY -1.526604020986e+02
+FORCES  1.5401000000e-03 -3.2966000000e-03 -4.9780000000e-04 -4.1697000000e-03 -2.4278000000e-03 -1.5865000000e-03  3.1083000000e-03  2.6014000000e-03 -3.0930000000e-03 -2.9228000000e-03  8.7908000000e-03  1.1100800000e-02  2.2800000000e-04 -5.7592000000e-03 -7.5542000000e-03  2.2160000000e-03  9.1400000000e-05  1.6307000000e-03
+
+JOB 10
+COORDS -9.2296400000e-01  8.5531000000e-01 -3.7954200000e-01 -5.9335800000e-01  1.7092260000e+00 -6.5957500000e-01 -1.6057600000e+00  6.4134600000e-01 -1.0153420000e+00  9.9428500000e-01 -9.0556600000e-01  3.9400300000e-01  8.8783300000e-01 -1.2967730000e+00  1.2611000000e+00  2.1285200000e-01 -3.6530700000e-01  2.7689100000e-01
+ENERGY -1.526611463548e+02
+FORCES  4.3896000000e-03 -1.4710000000e-03 -2.2432000000e-03 -3.1814000000e-03 -3.8535000000e-03  4.3540000000e-04  3.2849000000e-03  2.1687000000e-03  2.7701000000e-03 -9.7687000000e-03  8.0014000000e-03 -2.3252000000e-03 -1.2433000000e-03  2.0978000000e-03 -2.7540000000e-03  6.5190000000e-03 -6.9434000000e-03  4.1169000000e-03
+
+JOB 11
+COORDS  9.2660800000e-01  1.3223000000e-02 -1.0593450000e+00  2.7575400000e-01 -2.2062200000e-01 -3.9757700000e-01  8.6968600000e-01 -6.8671800000e-01 -1.7097870000e+00 -8.4654400000e-01 -1.1825000000e-02  1.0283950000e+00 -5.9089500000e-01  8.6683700000e-01  1.3091580000e+00 -1.7820120000e+00 -6.3732000000e-02  1.2244500000e+00
+ENERGY -1.526609530796e+02
+FORCES -8.6789000000e-03 -3.1892000000e-03  7.3578000000e-03  7.7004000000e-03  1.9207000000e-03 -5.9239000000e-03 -1.0447000000e-03  1.6411000000e-03  2.5376000000e-03 -1.5540000000e-04  3.3455000000e-03 -2.4379000000e-03 -2.1424000000e-03 -5.0551000000e-03 -1.6322000000e-03  4.3210000000e-03  1.3370000000e-03  9.8600000000e-05
+
+JOB 12
+COORDS  1.3419200000e-01 -4.0395000000e-01  1.3730150000e+00  1.5062900000e-01 -4.3449900000e-01  4.1644400000e-01 -6.0190600000e-01  1.7107600000e-01  1.5821480000e+00 -9.8783000000e-02  3.7284100000e-01 -1.2728830000e+00 -6.2794900000e-01 -9.3902000000e-02 -1.9196960000e+00  5.7840300000e-01  8.1124600000e-01 -1.7881030000e+00
+ENERGY -1.526601784907e+02
+FORCES -3.2017000000e-03  6.1851000000e-03 -1.2496600000e-02  7.0310000000e-04 -4.6389000000e-03  6.8676000000e-03  1.6119000000e-03 -1.8795000000e-03  7.6010000000e-04  1.9808000000e-03  5.0790000000e-04 -1.9440000000e-04  3.1070000000e-03  2.3278000000e-03  3.6276000000e-03 -4.2011000000e-03 -2.5023000000e-03  1.4357000000e-03
+
+JOB 13
+COORDS -4.1768800000e-01 -9.8332000000e-01 -7.8700000000e-01 -2.3962100000e-01 -8.3265200000e-01 -1.7153440000e+00 -2.1413200000e-01 -1.9086390000e+00 -6.5068600000e-01  3.5058700000e-01  1.0592090000e+00  8.7319000000e-01  1.2988780000e+00  1.1882790000e+00  8.5541700000e-01  1.8442700000e-01  4.0656100000e-01  1.9298900000e-01
+ENERGY -1.526600503452e+02
+FORCES  1.5665000000e-03 -1.2421000000e-03  1.7502000000e-03  4.4860000000e-04 -4.6290000000e-04  5.7273000000e-03 -9.0280000000e-04  4.4273000000e-03 -2.4450000000e-03 -1.9994000000e-03 -1.0395400000e-02 -7.7220000000e-03 -2.8640000000e-03 -1.4703000000e-03 -9.8300000000e-04  3.7511000000e-03  9.1434000000e-03  3.6725000000e-03
+
+JOB 14
+COORDS  8.0361500000e-01  4.7663100000e-01  1.0969780000e+00  5.2120000000e-02  9.1791400000e-01  1.4929030000e+00  4.3227000000e-01 -2.5473000000e-02  3.7156400000e-01 -6.9846900000e-01 -4.7356500000e-01 -1.0285040000e+00 -7.4777900000e-01 -1.0743660000e+00 -1.7720350000e+00 -1.4208490000e+00  1.3906000000e-01 -1.1666680000e+00
+ENERGY -1.526596211033e+02
+FORCES -8.3917000000e-03 -4.3673000000e-03 -8.6284000000e-03  1.7207000000e-03 -6.1760000000e-04 -1.5549000000e-03  4.1591000000e-03  2.9719000000e-03  6.4653000000e-03  4.9550000000e-04  1.9380000000e-03  2.5570000000e-04 -1.0191000000e-03  3.6748000000e-03  2.9432000000e-03  3.0354000000e-03 -3.5998000000e-03  5.1920000000e-04
+
+JOB 15
+COORDS -2.4167500000e-01 -4.7671000000e-01  1.3381260000e+00 -3.0175900000e-01 -1.7824400000e-01  4.3063600000e-01  2.8527000000e-01 -1.2745880000e+00  1.2939550000e+00  2.6179200000e-01  4.9566400000e-01 -1.2327660000e+00 -2.3378200000e-01 -1.9287300000e-01 -1.6761120000e+00 -4.1813000000e-02  1.3083060000e+00 -1.6373240000e+00
+ENERGY -1.526580554762e+02
+FORCES  5.4059000000e-03  4.1313000000e-03 -1.1064900000e-02 -4.9474000000e-03 -6.8468000000e-03  5.2321000000e-03 -2.1437000000e-03  2.0726000000e-03 -6.4060000000e-04 -1.4118000000e-03  2.2966000000e-03 -1.5018000000e-03  1.7805000000e-03  3.2012000000e-03  6.5527000000e-03  1.3166000000e-03 -4.8549000000e-03  1.4225000000e-03
+
+JOB 16
+COORDS -9.6113300000e-01 -4.3467200000e-01  9.0427700000e-01 -3.3131800000e-01 -1.1473030000e+00  1.0125500000e+00 -1.6658920000e+00 -8.1485700000e-01  3.7986600000e-01  1.0245900000e+00  4.9275300000e-01 -8.8349500000e-01  5.1602400000e-01  1.0782800000e+00 -1.4445210000e+00  3.8047400000e-01  1.1446600000e-01 -2.8495900000e-01
+ENERGY -1.526581387172e+02
+FORCES -1.3254000000e-03 -4.2508000000e-03 -8.2920000000e-04 -1.4864000000e-03  7.3085000000e-03 -4.8050000000e-03  4.6393000000e-03  2.5675000000e-03  1.9969000000e-03 -1.1807600000e-02  2.7680000000e-04  6.9252000000e-03  1.3700000000e-03 -2.0592000000e-03  1.1148000000e-03  8.6102000000e-03 -3.8428000000e-03 -4.4029000000e-03
+
+JOB 17
+COORDS -5.2675500000e-01 -1.6791500000e-01 -1.3450110000e+00 -3.0100400000e-01  2.3092800000e-01 -5.0465800000e-01 -1.9974200000e-01 -1.0651970000e+00 -1.2803530000e+00  5.2075700000e-01  1.3605600000e-01  1.2675090000e+00 -3.7725800000e-01  3.1159400000e-01  1.5485550000e+00  9.9228700000e-01  9.4904000000e-01  1.4490280000e+00
+ENERGY -1.526580154502e+02
+FORCES  8.3889000000e-03 -2.2583000000e-03  1.1364900000e-02 -7.4116000000e-03  2.6366000000e-03 -3.8229000000e-03 -2.0603000000e-03  1.8558000000e-03 -1.7760000000e-03 -2.2940000000e-04  2.0354000000e-03  2.3073000000e-03  4.8645000000e-03 -2.4620000000e-04 -6.1940000000e-03 -3.5520000000e-03 -4.0233000000e-03 -1.8793000000e-03
+
+JOB 18
+COORDS  3.3388800000e-01 -1.4107740000e+00 -3.2980000000e-02  4.3940000000e-02 -5.2957700000e-01  2.0293000000e-01  1.0358580000e+00 -1.2703740000e+00 -6.6839800000e-01 -3.0855200000e-01  1.3272060000e+00  9.2876000000e-02 -3.3877600000e-01  1.4700360000e+00 -8.5312500000e-01 -1.1575920000e+00  1.6357040000e+00  4.0940800000e-01
+ENERGY -1.526602241315e+02
+FORCES -2.6340000000e-04  1.3257800000e-02  6.7130000000e-04  1.0950000000e-03 -9.7653000000e-03 -1.3184000000e-03 -2.5057000000e-03 -1.2910000000e-04  9.3070000000e-04 -3.0378000000e-03  1.0750000000e-04 -3.1121000000e-03  4.5620000000e-04 -1.5569000000e-03  5.0800000000e-03  4.2557000000e-03 -1.9140000000e-03 -2.2516000000e-03
+
+JOB 19
+COORDS  1.3507270000e+00  8.0186000000e-02 -5.0033800000e-01  4.5529700000e-01  7.4369000000e-02 -1.6210200000e-01  1.6799510000e+00  9.5471800000e-01 -2.9288200000e-01 -1.3404110000e+00 -6.3633000000e-02  4.7786100000e-01 -7.7363500000e-01 -5.6588700000e-01  1.0632990000e+00 -1.5325890000e+00 -6.6336500000e-01 -2.4298700000e-01
+ENERGY -1.526576679558e+02
+FORCES -9.8239000000e-03  5.4114000000e-03  2.9794000000e-03  7.3732000000e-03 -6.7829000000e-03  9.2810000000e-04 -1.1478000000e-03 -3.0712000000e-03 -2.4560000000e-04 -1.3429000000e-03 -5.7361000000e-03 -5.1200000000e-05  1.3321000000e-03  5.8664000000e-03 -7.4902000000e-03  3.6094000000e-03  4.3124000000e-03  3.8794000000e-03
+
+JOB 20
+COORDS  1.3564430000e+00  9.6348000000e-02 -2.5350300000e-01  1.6198620000e+00 -3.9123100000e-01 -1.0339570000e+00  1.5703040000e+00 -4.8502600000e-01  4.7622200000e-01 -1.4414490000e+00 -7.1422000000e-02  2.1739200000e-01 -1.5751420000e+00  5.4397600000e-01  9.3825500000e-01 -4.9457800000e-01 -7.4764000000e-02  7.7186000000e-02
+ENERGY -1.526603415598e+02
+FORCES  2.6023000000e-03 -3.2211000000e-03 -1.8411000000e-03 -1.5591000000e-03  2.0342000000e-03  4.8405000000e-03 -4.5079000000e-03  3.3003000000e-03 -4.1072000000e-03  1.1542900000e-02  4.3370000000e-03 -1.5196000000e-03  1.1114000000e-03 -2.2829000000e-03 -1.7256000000e-03 -9.1896000000e-03 -4.1675000000e-03  4.3530000000e-03
+
+JOB 21
+COORDS -1.0659070000e+00  3.9951000000e-01  7.8096700000e-01 -1.1637510000e+00  1.2701180000e+00  1.1665850000e+00 -8.1378000000e-01 -1.6103100000e-01  1.5147630000e+00  1.0935550000e+00 -3.7442400000e-01 -8.8141800000e-01  3.9599600000e-01 -1.1637000000e-01 -2.7888000000e-01  1.1404970000e+00 -1.3270280000e+00 -8.0034000000e-01
+ENERGY -1.526597786774e+02
+FORCES  4.4410000000e-04  2.9859000000e-03  3.1138000000e-03  2.0800000000e-04 -5.0311000000e-03 -9.8080000000e-04  9.5230000000e-04  2.5257000000e-03 -5.9843000000e-03 -9.8843000000e-03  1.8971000000e-03  5.3972000000e-03  9.1528000000e-03 -5.5119000000e-03 -2.7649000000e-03 -8.7300000000e-04  3.1343000000e-03  1.2191000000e-03
+
+JOB 22
+COORDS  3.6701400000e-01  5.1078000000e-01  1.2054830000e+00 -1.7843400000e-01  2.4727000000e-01  1.9466180000e+00  5.1257100000e-01  1.4478260000e+00  1.3358220000e+00 -3.8671200000e-01 -5.9417200000e-01 -1.2417310000e+00  1.6744200000e-01 -4.0485000000e-02 -6.9166200000e-01 -1.4552600000e-01 -3.6005800000e-01 -2.1379740000e+00
+ENERGY -1.526592359617e+02
+FORCES -5.1762000000e-03 -1.2002000000e-03  2.1173000000e-03  3.3569000000e-03  2.8317000000e-03 -1.8334000000e-03 -8.2920000000e-04 -4.4347000000e-03 -1.6596000000e-03  3.6551000000e-03  3.9189000000e-03  6.8993000000e-03 -1.0142000000e-03 -1.8438000000e-03 -9.7659000000e-03  7.6000000000e-06  7.2810000000e-04  4.2423000000e-03
+
+JOB 23
+COORDS -8.5795700000e-01  6.8252000000e-01 -9.3409700000e-01 -5.0375600000e-01  1.3401150000e+00 -1.5327140000e+00 -8.6332000000e-02  2.4465000000e-01 -5.7479500000e-01  8.2221200000e-01 -6.3433200000e-01  9.2896400000e-01  1.0159720000e+00 -1.5048670000e+00  5.8131900000e-01  1.3092300000e-01 -7.8205200000e-01  1.5743560000e+00
+ENERGY -1.526609598970e+02
+FORCES  8.1101000000e-03 -2.5045000000e-03  5.5412000000e-03  8.1700000000e-05 -2.7378000000e-03  2.4331000000e-03 -6.2439000000e-03  2.9496000000e-03 -8.5410000000e-03 -4.2526000000e-03 -2.7130000000e-03  3.6097000000e-03 -1.9571000000e-03  5.3427000000e-03  2.0440000000e-04  4.2617000000e-03 -3.3700000000e-04 -3.2474000000e-03
+
+JOB 24
+COORDS  1.3729210000e+00 -2.0093200000e-01 -4.4913200000e-01  1.1992210000e+00 -3.8134200000e-01 -1.3729900000e+00  5.0528700000e-01 -1.3382700000e-01 -5.0459000000e-02 -1.2496890000e+00  2.2456900000e-01  4.6430800000e-01 -1.6664700000e+00  2.0718700000e-01  1.3258320000e+00 -1.9404550000e+00 -4.2983000000e-02 -1.4190200000e-01
+ENERGY -1.526603881469e+02
+FORCES -1.1770100000e-02  1.7487000000e-03  2.1007000000e-03 -2.5220000000e-04  3.9440000000e-04  2.5683000000e-03  8.6380000000e-03 -2.0603000000e-03 -3.5501000000e-03 -6.9380000000e-04 -1.2107000000e-03  4.8640000000e-04  7.1520000000e-04 -1.2800000000e-05 -4.8588000000e-03  3.3629000000e-03  1.1407000000e-03  3.2536000000e-03
+
+JOB 25
+COORDS  1.0996640000e+00  7.3508700000e-01  3.9795200000e-01  1.1002820000e+00  3.5807800000e-01  1.2777790000e+00  2.0062790000e+00  6.5446000000e-01  1.0167400000e-01 -1.1529890000e+00 -7.6465100000e-01 -4.7377400000e-01 -4.1605300000e-01 -1.8888800000e-01 -2.6967900000e-01 -1.8803050000e+00 -4.1524800000e-01  4.1163000000e-02
+ENERGY -1.526611092999e+02
+FORCES  3.5163000000e-03 -2.8562000000e-03  8.3180000000e-04 -9.8820000000e-04  1.6428000000e-03 -5.2919000000e-03 -3.9937000000e-03  3.7960000000e-04  2.7429000000e-03  7.0738000000e-03  8.0303000000e-03  2.5764000000e-03 -8.7114000000e-03 -6.2383000000e-03 -2.6240000000e-04  3.1031000000e-03 -9.5830000000e-04 -5.9680000000e-04
+
+JOB 26
+COORDS  8.5876700000e-01  9.6140400000e-01  5.0996400000e-01  1.6618600000e-01  1.4359100000e+00  5.0174000000e-02  1.0403440000e+00  1.4931840000e+00  1.2848650000e+00 -8.7993200000e-01 -9.9607500000e-01 -5.6405100000e-01 -6.8429700000e-01 -1.9221480000e+00 -4.2141200000e-01 -1.7175700000e-01 -5.2997300000e-01 -1.1967700000e-01
+ENERGY -1.526604409467e+02
+FORCES -2.5689000000e-03  3.3768000000e-03  2.0307000000e-03  3.4206000000e-03 -5.5539000000e-03  3.1651000000e-03 -9.4150000000e-04 -1.0682000000e-03 -4.2319000000e-03  7.5824000000e-03  1.5615000000e-03  5.1384000000e-03 -1.5070000000e-04  3.0011000000e-03  1.5190000000e-04 -7.3420000000e-03 -1.3172000000e-03 -6.2542000000e-03
+
+JOB 27
+COORDS  1.2424840000e+00 -9.1017000000e-02 -6.2568500000e-01  1.7092140000e+00 -3.8590600000e-01  1.5625800000e-01  1.6211550000e+00  7.6581600000e-01 -8.2235200000e-01 -1.3425720000e+00  4.1339000000e-02  6.2634700000e-01 -8.2019100000e-01  8.2965900000e-01  7.7433400000e-01 -9.0421900000e-01 -4.0447300000e-01 -9.8450000000e-02
+ENERGY -1.526577974023e+02
+FORCES  1.9341000000e-03  1.6270000000e-03  3.3637000000e-03 -2.4142000000e-03  2.2000000000e-03 -3.7669000000e-03 -2.4426000000e-03 -3.5081000000e-03  2.2362000000e-03  1.1074900000e-02  1.4206000000e-03 -6.6585000000e-03 -2.3566000000e-03 -3.1300000000e-04  1.9171000000e-03 -5.7957000000e-03 -1.4264000000e-03  2.9084000000e-03
+
+JOB 28
+COORDS -5.2788800000e-01 -1.3063490000e+00  1.0338200000e-01 -7.0564500000e-01 -1.2809210000e+00 -8.3682400000e-01  1.8679000000e-01 -1.9364070000e+00  1.9554800000e-01  4.8915100000e-01  1.3897380000e+00 -1.0175500000e-01  1.9639600000e-01  4.7840700000e-01 -1.0310900000e-01  9.3645500000e-01  1.4968650000e+00  7.3769400000e-01
+ENERGY -1.526597616275e+02
+FORCES  7.9890000000e-04 -4.3329000000e-03 -2.6367000000e-03  3.2101000000e-03  2.8178000000e-03  6.0433000000e-03 -3.3747000000e-03  4.2305000000e-03 -6.1950000000e-04 -3.3213000000e-03 -1.0308800000e-02  5.5837000000e-03  3.4390000000e-03  7.9384000000e-03 -5.7577000000e-03 -7.5200000000e-04 -3.4510000000e-04 -2.6130000000e-03
+
+JOB 29
+COORDS -2.1044600000e-01  1.9281700000e-01  1.4114480000e+00  1.4185000000e-02  1.0493960000e+00  1.7748290000e+00 -9.9248600000e-01  3.5370400000e-01  8.8347000000e-01  1.8883500000e-01 -2.2274800000e-01 -1.4259880000e+00  7.6115400000e-01 -8.5125900000e-01 -1.8660530000e+00  5.7679400000e-01 -1.1171800000e-01 -5.5800600000e-01
+ENERGY -1.526609049322e+02
+FORCES -5.6167000000e-03  3.3089000000e-03  8.1000000000e-05 -5.9540000000e-04 -3.9391000000e-03 -2.7558000000e-03  5.6743000000e-03 -1.1860000000e-04  3.1207000000e-03  3.3280000000e-03 -1.7503000000e-03  6.2002000000e-03 -1.3854000000e-03  2.2662000000e-03  2.5388000000e-03 -1.4048000000e-03  2.3290000000e-04 -9.1848000000e-03
+
+JOB 30
+COORDS  9.9345100000e-01  8.8734800000e-01 -6.1160900000e-01  1.7037600000e+00  7.3281800000e-01 -1.2343550000e+00  7.1006400000e-01  1.1682000000e-02 -3.4867800000e-01 -9.5827900000e-01 -8.1456900000e-01  6.0532900000e-01 -1.5169400000e+00 -1.5687000000e+00  4.1714000000e-01 -1.4482290000e+00 -3.0880000000e-01  1.2536950000e+00
+ENERGY -1.526597560078e+02
+FORCES -3.2937000000e-03 -6.1086000000e-03  1.6621000000e-03 -3.1352000000e-03 -7.2380000000e-04  2.1604000000e-03  7.1006000000e-03  4.8922000000e-03 -3.8450000000e-03 -3.8420000000e-03  2.3132000000e-03  1.4859000000e-03  2.1865000000e-03  3.4345000000e-03  1.0096000000e-03  9.8380000000e-04 -3.8074000000e-03 -2.4730000000e-03
+
+JOB 31
+COORDS  2.9659600000e-01 -1.3157170000e+00  6.1420000000e-01  1.5644200000e-01 -8.6048800000e-01  1.4444740000e+00 -5.6260100000e-01 -1.3153420000e+00  1.9228300000e-01 -2.0534300000e-01  1.3328920000e+00 -6.6741500000e-01 -1.1610220000e+00  1.2800990000e+00 -6.7846300000e-01  6.8284000000e-02  6.1212300000e-01 -1.0009500000e-01
+ENERGY -1.526550461211e+02
+FORCES -4.4332000000e-03 -2.4928000000e-03  2.0527000000e-03  7.6740000000e-04  8.4660000000e-04 -7.3627000000e-03  4.9982000000e-03  4.1563000000e-03  1.9630000000e-03  8.1430000000e-04 -7.1223000000e-03  2.9692000000e-03  3.7520000000e-03 -1.6613000000e-03  7.4890000000e-04 -5.8987000000e-03  6.2735000000e-03 -3.7110000000e-04
+
+JOB 32
+COORDS  3.9772500000e-01 -2.5688600000e-01  1.4212730000e+00  2.0214600000e-01 -2.0459100000e-01  4.8572700000e-01  1.2770800000e+00  1.1215000000e-01  1.5036120000e+00 -4.2828100000e-01  2.3812700000e-01 -1.3035240000e+00  8.2869000000e-02  6.0004300000e-01 -2.0273850000e+00 -1.1365770000e+00 -2.4575500000e-01 -1.7282670000e+00
+ENERGY -1.526610250291e+02
+FORCES -4.7720000000e-04  3.0297000000e-03 -9.6585000000e-03  2.8600000000e-03 -2.5540000000e-03  9.2155000000e-03 -2.4876000000e-03 -9.2840000000e-04 -7.5050000000e-04 -8.6910000000e-04 -3.2730000000e-04 -2.7985000000e-03 -2.8835000000e-03 -1.9546000000e-03  2.9183000000e-03  3.8573000000e-03  2.7346000000e-03  1.0737000000e-03
+
+JOB 33
+COORDS -4.5036100000e-01  7.6098500000e-01  1.1360070000e+00 -6.9016200000e-01  2.0137500000e-01  1.8746300000e+00 -1.2769950000e+00  9.2814500000e-01  6.8327400000e-01  5.1706600000e-01 -7.0348500000e-01 -1.2193320000e+00  6.8181600000e-01 -1.6298930000e+00 -1.0436720000e+00  3.1743400000e-01 -3.2838800000e-01 -3.6161300000e-01
+ENERGY -1.526609186115e+02
+FORCES -5.6723000000e-03  8.9290000000e-04  2.2945000000e-03  1.3320000000e-03  1.9159000000e-03 -4.6559000000e-03  5.1147000000e-03 -2.2258000000e-03  2.3005000000e-03 -7.7800000000e-04  2.4399000000e-03  8.9216000000e-03 -1.0272000000e-03  3.1879000000e-03  4.2200000000e-04  1.0307000000e-03 -6.2108000000e-03 -9.2827000000e-03
+
+JOB 34
+COORDS -5.6738400000e-01  1.3817600000e+00 -2.5497900000e-01  1.0244600000e-01  6.9934300000e-01 -2.9819500000e-01 -7.7255600000e-01  1.4579820000e+00  6.7686100000e-01  5.3760600000e-01 -1.3225480000e+00  1.4368100000e-01 -1.7004400000e-01 -1.7094340000e+00  6.5922200000e-01  1.3062110000e+00 -1.3780190000e+00  7.1148500000e-01
+ENERGY -1.526590499846e+02
+FORCES  4.1419000000e-03 -8.9732000000e-03  3.5771000000e-03 -1.8111000000e-03  8.7902000000e-03 -7.8660000000e-04  1.0070000000e-04 -1.4410000000e-04 -2.5764000000e-03 -2.3014000000e-03 -3.4200000000e-03  3.8154000000e-03  4.2585000000e-03  1.8578000000e-03 -1.5160000000e-03 -4.3886000000e-03  1.8893000000e-03 -2.5135000000e-03
+
+JOB 35
+COORDS  1.2508380000e+00  2.7800100000e-01 -8.3058700000e-01  7.5003400000e-01  2.3166000000e-02 -5.5676000000e-02  7.6675900000e-01  1.0183170000e+00 -1.1964180000e+00 -1.1313470000e+00 -3.2978900000e-01  7.9575600000e-01 -1.7217460000e+00  5.6000000000e-03  1.2108900000e-01 -1.6235230000e+00 -2.3963400000e-01  1.6117630000e+00
+ENERGY -1.526595227271e+02
+FORCES -7.3919000000e-03  3.9220000000e-04  5.7332000000e-03  6.2783000000e-03  1.8694000000e-03 -5.5560000000e-03  9.0540000000e-04 -2.4465000000e-03  3.3750000000e-04 -4.5104000000e-03  8.2210000000e-04  2.7900000000e-04  3.2482000000e-03 -4.4870000000e-04  3.6107000000e-03  1.4705000000e-03 -1.8850000000e-04 -4.4044000000e-03
+
+JOB 36
+COORDS  1.1665360000e+00  4.9864000000e-02  9.7444300000e-01  1.6511970000e+00  6.8804100000e-01  4.5093000000e-01  5.2941500000e-01 -3.2504800000e-01  3.6637200000e-01 -1.1293320000e+00 -1.1895500000e-01 -9.2013200000e-01 -1.0227860000e+00  7.1394700000e-01 -1.3796470000e+00 -1.7760600000e+00  6.3987000000e-02 -2.3858300000e-01
+ENERGY -1.526599456926e+02
+FORCES -4.9208000000e-03 -1.8900000000e-04 -8.9566000000e-03 -1.6092000000e-03 -1.3699000000e-03  1.7762000000e-03  5.9190000000e-03  8.6480000000e-04  7.1986000000e-03 -3.5262000000e-03  5.7058000000e-03  8.3400000000e-04  1.2900000000e-04 -3.9033000000e-03  2.5107000000e-03  4.0083000000e-03 -1.1084000000e-03 -3.3629000000e-03
+
+JOB 37
+COORDS  3.5021500000e-01  1.3609490000e+00 -5.4685600000e-01  3.2390300000e-01  1.0130540000e+00  3.4449600000e-01  1.1895770000e+00  1.0618850000e+00 -8.9651900000e-01 -3.5373900000e-01 -1.3500570000e+00  5.5405400000e-01 -1.1265720000e+00 -8.4951900000e-01  8.1562900000e-01 -3.8224500000e-01 -1.3530110000e+00 -4.0271700000e-01
+ENERGY -1.526571324802e+02
+FORCES  4.4601000000e-03 -6.1835000000e-03  4.6845000000e-03 -2.0599000000e-03  4.2320000000e-03 -3.1608000000e-03 -3.5988000000e-03  1.1283000000e-03  1.5310000000e-04 -4.5125000000e-03  3.3374000000e-03 -6.3097000000e-03  4.7187000000e-03 -7.7200000000e-04  3.1640000000e-04  9.9230000000e-04 -1.7422000000e-03  4.3165000000e-03
+
+JOB 38
+COORDS  1.8756300000e-01  1.0618770000e+00  9.8438300000e-01 -2.0786900000e-01  1.6304820000e+00  3.2366000000e-01  1.0924200000e+00  1.3665090000e+00  1.0526760000e+00 -2.6788700000e-01 -1.1095480000e+00 -1.0036710000e+00  3.9552300000e-01 -1.7875680000e+00 -8.7558000000e-01 -1.2022100000e-01 -4.9108800000e-01 -2.8817600000e-01
+ENERGY -1.526609207716e+02
+FORCES  2.6504000000e-03  5.9388000000e-03 -9.5560000000e-04  2.5806000000e-03 -5.2569000000e-03  2.7363000000e-03 -4.5275000000e-03 -1.5629000000e-03 -6.2040000000e-04  3.6172000000e-03  3.1894000000e-03  8.2609000000e-03 -1.7086000000e-03  2.3990000000e-03 -3.8110000000e-04 -2.6121000000e-03 -4.7075000000e-03 -9.0401000000e-03
+
+JOB 39
+COORDS  5.3764100000e-01  6.8067000000e-02  1.3968230000e+00  3.4085300000e-01  7.1615900000e-01  2.0731980000e+00 -2.0632900000e-01  1.1441400000e-01  7.9633000000e-01 -4.5155000000e-01 -1.5731300000e-01 -1.3920750000e+00 -1.3971930000e+00 -5.0741000000e-02 -1.2889590000e+00 -1.4139200000e-01  7.0545700000e-01 -1.6671410000e+00
+ENERGY -1.526560882552e+02
+FORCES -3.8663000000e-03  4.1000000000e-05 -4.6240000000e-03  8.9300000000e-05 -2.0439000000e-03 -4.0237000000e-03  4.7730000000e-04  2.5326000000e-03  8.0558000000e-03  2.0020000000e-04  3.3871000000e-03 -4.5353000000e-03  5.7090000000e-03  1.0580000000e-04  3.1277000000e-03 -2.6095000000e-03 -4.0226000000e-03  1.9996000000e-03
+
+JOB 40
+COORDS -7.3848700000e-01  5.9150200000e-01  1.0630180000e+00 -8.4984200000e-01 -1.3755100000e-01  1.6731940000e+00 -1.1301790000e+00  1.3412920000e+00  1.5109280000e+00  7.5698100000e-01 -6.5308500000e-01 -1.1421360000e+00  4.6182500000e-01 -1.6937700000e-01 -3.7068200000e-01  1.2802170000e+00 -2.1540000000e-02 -1.6357010000e+00
+ENERGY -1.526605561304e+02
+FORCES -2.7150000000e-03  9.6320000000e-04  2.8813000000e-03  1.0778000000e-03  4.0331000000e-03 -3.0683000000e-03  1.0501000000e-03 -4.0405000000e-03 -8.8050000000e-04 -2.7373000000e-03  6.9645000000e-03  4.4596000000e-03  5.0390000000e-03 -6.1894000000e-03 -4.9587000000e-03 -1.7146000000e-03 -1.7308000000e-03  1.5666000000e-03
+
+JOB 41
+COORDS -1.1778820000e+00 -6.3569900000e-01 -6.7456700000e-01 -1.7702910000e+00  1.6710000000e-03 -1.0733680000e+00 -5.1791800000e-01 -8.0359300000e-01 -1.3472420000e+00  1.2110610000e+00  6.6368900000e-01  7.1436500000e-01  4.0808000000e-01  2.9557200000e-01  3.4565900000e-01  1.4044990000e+00  1.0890100000e-01  1.4700250000e+00
+ENERGY -1.526610420086e+02
+FORCES -2.9238000000e-03  2.7820000000e-04 -6.3798000000e-03  3.4855000000e-03 -3.1676000000e-03  1.7657000000e-03 -2.4688000000e-03  2.4617000000e-03  5.4988000000e-03 -7.0726000000e-03 -4.9731000000e-03  7.1600000000e-04  9.4270000000e-03  3.6870000000e-03  1.0573000000e-03 -4.4740000000e-04  1.7139000000e-03 -2.6581000000e-03
+
+JOB 42
+COORDS  6.1597300000e-01 -5.1257000000e-01  1.3039280000e+00  1.7831400000e-01 -1.3637420000e+00  1.3178100000e+00  1.2295900000e+00 -5.7014500000e-01  5.7154000000e-01 -5.9234000000e-01  6.2530300000e-01 -1.2680540000e+00 -5.1280600000e-01 -5.1800000000e-03 -5.5223500000e-01 -1.2706740000e+00  2.5952400000e-01 -1.8357700000e+00
+ENERGY -1.526565728841e+02
+FORCES  4.8951000000e-03 -3.3661000000e-03  4.2720000000e-04  4.9460000000e-04  5.5510000000e-03 -2.4572000000e-03 -6.2800000000e-03  3.0300000000e-05  2.7716000000e-03 -2.0483000000e-03 -2.5697000000e-03  4.5031000000e-03  1.5450000000e-04 -2.4640000000e-04 -8.4246000000e-03  2.7841000000e-03  6.0080000000e-04  3.1799000000e-03
+
+JOB 43
+COORDS -6.1483600000e-01 -1.3759420000e+00  3.7232800000e-01 -6.9386300000e-01 -4.5479100000e-01  1.2440200000e-01 -8.3475000000e-01 -1.8586420000e+00 -4.2446000000e-01  6.0423400000e-01  1.3100650000e+00 -2.6639600000e-01  1.1311270000e+00  1.0750590000e+00 -1.0301950000e+00  5.2959200000e-01  2.2633330000e+00 -3.1043300000e-01
+ENERGY -1.526589137547e+02
+FORCES  4.0810000000e-04  6.0119000000e-03 -3.2054000000e-03 -3.3451000000e-03 -8.3113000000e-03  6.4360000000e-04  1.4643000000e-03  2.1202000000e-03  2.3451000000e-03  4.1475000000e-03  3.0794000000e-03 -2.5674000000e-03 -3.3574000000e-03  1.6339000000e-03  2.9356000000e-03  6.8270000000e-04 -4.5341000000e-03 -1.5150000000e-04
+
+JOB 44
+COORDS  9.3542000000e-02 -5.1910200000e-01  1.3770470000e+00  1.0315740000e+00 -6.3236000000e-01  1.5303440000e+00 -3.1106400000e-01 -1.2813390000e+00  1.7911950000e+00 -5.9791000000e-02  5.8353700000e-01 -1.4312170000e+00 -4.0621200000e-01  8.0981400000e-01 -5.6807000000e-01 -7.6928200000e-01  1.0112800000e-01 -1.8556410000e+00
+ENERGY -1.526572236564e+02
+FORCES  3.8171000000e-03 -3.9482000000e-03  1.1990000000e-04 -4.3023000000e-03  1.8940000000e-04  7.1210000000e-04  1.7626000000e-03  2.9855000000e-03 -2.0350000000e-03 -3.7971000000e-03 -3.7666000000e-03  6.7280000000e-03  2.1470000000e-04  2.8653000000e-03 -6.5024000000e-03  2.3051000000e-03  1.6745000000e-03  9.7740000000e-04
+
+JOB 45
+COORDS -9.7857300000e-01 -7.7764700000e-01  9.2029400000e-01 -2.8570400000e-01 -2.2286900000e-01  5.6198500000e-01 -5.7969600000e-01 -1.1977250000e+00  1.6823060000e+00  9.2571200000e-01  7.3941600000e-01 -8.8423500000e-01  7.1901000000e-01  1.6658690000e+00 -1.0074860000e+00  8.8500300000e-01  3.6529500000e-01 -1.7643530000e+00
+ENERGY -1.526616953785e+02
+FORCES  6.8253000000e-03  2.9582000000e-03 -2.0763000000e-03 -6.7157000000e-03 -4.5823000000e-03  6.7283000000e-03 -8.6900000000e-04  1.6201000000e-03 -2.7319000000e-03 -7.6310000000e-04  1.8143000000e-03 -6.1098000000e-03  8.3890000000e-04 -4.5829000000e-03  4.5680000000e-04  6.8350000000e-04  2.7726000000e-03  3.7330000000e-03
+
+JOB 46
+COORDS  8.6019700000e-01  8.9263900000e-01 -8.4996700000e-01 -4.5319000000e-02  1.0462910000e+00 -1.1195290000e+00  1.3854510000e+00  1.1891230000e+00 -1.5932280000e+00 -8.5742300000e-01 -9.4729400000e-01  9.5457300000e-01  8.4680000000e-03 -7.8348000000e-01  5.8090100000e-01 -1.4633480000e+00 -5.0799600000e-01  3.5782900000e-01
+ENERGY -1.526568190497e+02
+FORCES -3.3070000000e-04  3.4989000000e-03 -4.8887000000e-03  3.2483000000e-03 -2.6293000000e-03  2.0063000000e-03 -2.9587000000e-03 -9.2830000000e-04  3.2338000000e-03  4.0955000000e-03  3.6957000000e-03 -4.7707000000e-03 -5.9015000000e-03 -3.1293000000e-03  3.1885000000e-03  1.8471000000e-03 -5.0770000000e-04  1.2308000000e-03
+
+JOB 47
+COORDS -3.0504300000e-01 -3.2677100000e-01  1.4334390000e+00  3.9067600000e-01 -2.4639300000e-01  2.0859320000e+00 -6.2941800000e-01 -1.2213080000e+00  1.5374390000e+00  3.3751200000e-01  3.5400500000e-01 -1.5163530000e+00 -5.4555600000e-01  4.7918100000e-01 -1.8638480000e+00  2.7109900000e-01  6.0668600000e-01 -5.9549800000e-01
+ENERGY -1.526590313181e+02
+FORCES  9.6360000000e-04 -5.8349000000e-03  2.2579000000e-03 -2.9194000000e-03 -1.5900000000e-04 -3.4311000000e-03  1.1754000000e-03  4.0117000000e-03  9.6420000000e-04 -4.8410000000e-03 -8.2400000000e-05  6.8613000000e-03  2.9319000000e-03 -6.9320000000e-04  6.1580000000e-04  2.6895000000e-03  2.7577000000e-03 -7.2681000000e-03
+
+JOB 48
+COORDS -1.1830230000e+00  8.6403100000e-01 -5.2078300000e-01 -1.3596270000e+00  1.7976310000e+00 -6.3668500000e-01 -2.5259500000e-01  8.2138200000e-01 -3.0006600000e-01  1.1021260000e+00 -8.6958400000e-01  5.5072800000e-01  1.9615170000e+00 -7.6877000000e-01  1.4144100000e-01  8.5788500000e-01 -1.7783230000e+00  3.7530900000e-01
+ENERGY -1.526585705272e+02
+FORCES  4.9876000000e-03  2.1540000000e-04  2.5561000000e-03  1.6223000000e-03 -3.5467000000e-03  6.4140000000e-04 -5.6077000000e-03  5.4848000000e-03 -4.0930000000e-03  1.0103000000e-03 -6.5913000000e-03 -1.4723000000e-03 -4.6423000000e-03  8.2350000000e-04  1.2616000000e-03  2.6298000000e-03  3.6142000000e-03  1.1063000000e-03
+
+JOB 49
+COORDS -7.0544300000e-01 -8.0459200000e-01  1.0774840000e+00 -1.3083730000e+00 -1.4488800000e+00  7.0654000000e-01  3.4826000000e-02 -1.3226900000e+00  1.3934080000e+00  6.9025800000e-01  9.3921200000e-01 -1.1000450000e+00  1.0068400000e-01  3.5810300000e-01 -6.1947600000e-01  1.5153200000e+00  4.5646000000e-01 -1.1495940000e+00
+ENERGY -1.526593446256e+02
+FORCES -4.0850000000e-04 -5.7687000000e-03  3.7774000000e-03  3.8719000000e-03  3.6551000000e-03  8.1520000000e-04 -3.3871000000e-03  2.5075000000e-03 -2.7513000000e-03 -1.7366000000e-03 -5.5978000000e-03  5.6788000000e-03  4.2570000000e-03  3.8802000000e-03 -7.8727000000e-03 -2.5967000000e-03  1.3237000000e-03  3.5250000000e-04
+
+JOB 50
+COORDS  1.4188170000e+00 -3.3238200000e-01 -6.2298900000e-01  1.9935510000e+00  3.3163900000e-01 -1.0037630000e+00  6.2650300000e-01  1.4669000000e-01 -3.8017000000e-01 -1.3590080000e+00  2.1512900000e-01  6.2595800000e-01 -1.3504630000e+00  1.0913430000e+00  2.4072000000e-01 -2.1863580000e+00  1.7181300000e-01  1.1053820000e+00
+ENERGY -1.526554411771e+02
+FORCES -3.2868000000e-03  2.5286000000e-03  1.6124000000e-03 -3.0679000000e-03 -2.0520000000e-03  1.6906000000e-03  5.4253000000e-03  2.3472000000e-03 -4.1152000000e-03 -5.7504000000e-03  1.3418000000e-03  2.4298000000e-03  3.4439000000e-03 -5.1482000000e-03  6.6610000000e-04  3.2359000000e-03  9.8270000000e-04 -2.2837000000e-03
+
+JOB 51
+COORDS -7.6351200000e-01  1.3919760000e+00  9.8000000000e-05 -1.6519200000e+00  1.7434470000e+00  5.8670000000e-02 -3.7974800000e-01  1.5651710000e+00  8.5972600000e-01  8.4568500000e-01 -1.4577730000e+00 -4.5182000000e-02  3.2508900000e-01 -1.1424570000e+00  6.9359200000e-01  4.0091700000e-01 -1.1098090000e+00 -8.1805600000e-01
+ENERGY -1.526570691386e+02
+FORCES -1.6642000000e-03  4.4423000000e-03  3.5278000000e-03  4.0811000000e-03 -1.8919000000e-03 -1.1350000000e-04 -2.4080000000e-03 -2.0497000000e-03 -3.4495000000e-03 -5.9477000000e-03  5.7051000000e-03 -1.3218000000e-03  3.0922000000e-03 -2.1180000000e-03 -3.1700000000e-04  2.8467000000e-03 -4.0878000000e-03  1.6740000000e-03
+
+JOB 52
+COORDS  4.6915100000e-01 -1.0621260000e+00  1.2210450000e+00 -1.7553200000e-01 -4.0061500000e-01  9.7001100000e-01  1.3038010000e+00 -5.9356400000e-01  1.2273790000e+00 -4.9090400000e-01  9.3891200000e-01 -1.1807600000e+00 -1.1491730000e+00  1.5728070000e+00 -1.4655250000e+00  3.4673700000e-01  1.3684280000e+00 -1.3542700000e+00
+ENERGY -1.526572407007e+02
+FORCES -9.1180000000e-04  5.8715000000e-03 -3.9442000000e-03  3.0203000000e-03 -4.0415000000e-03  5.2328000000e-03 -2.3320000000e-03 -1.7149000000e-03  8.0200000000e-05  7.8670000000e-04  4.4435000000e-03 -4.4763000000e-03  3.1516000000e-03 -2.8671000000e-03  1.4531000000e-03 -3.7149000000e-03 -1.6915000000e-03  1.6544000000e-03
+
+JOB 53
+COORDS -6.6860800000e-01  1.4718570000e+00 -1.4016700000e-01 -1.1668270000e+00  2.0816020000e+00  4.0409500000e-01  2.1330500000e-01  1.4837500000e+00  2.3174700000e-01  6.6756600000e-01 -1.4766490000e+00  1.3932600000e-01  8.3266400000e-01 -1.2882960000e+00 -7.8452300000e-01  7.2954000000e-02 -2.2266880000e+00  1.2879900000e-01
+ENERGY -1.526549893236e+02
+FORCES  2.4423000000e-03  3.2690000000e-04  5.1153000000e-03  1.8047000000e-03 -2.5920000000e-03 -2.0189000000e-03 -3.3334000000e-03  2.2609000000e-03 -2.7886000000e-03 -4.4869000000e-03 -1.2212000000e-03 -4.3829000000e-03  7.6490000000e-04 -1.0118000000e-03  4.0000000000e-03  2.8084000000e-03  2.2372000000e-03  7.5100000000e-05
+
+JOB 54
+COORDS  1.2678720000e+00 -7.0448200000e-01  7.7774900000e-01  9.7780100000e-01 -1.2247590000e+00  1.5270180000e+00  9.9446100000e-01 -1.2114790000e+00  1.3267000000e-02 -1.2280390000e+00  7.8335100000e-01 -8.3511100000e-01 -9.0263300000e-01  1.1900950000e+00 -3.2053000000e-02 -1.6953050000e+00  3.0930000000e-03 -5.3662700000e-01
+ENERGY -1.526556491077e+02
+FORCES -1.0478000000e-03 -4.5218000000e-03 -2.0123000000e-03  1.2890000000e-04  2.8252000000e-03 -3.3779000000e-03  1.1295000000e-03  9.6750000000e-04  4.5487000000e-03  1.4830000000e-03 -9.7310000000e-04  6.4021000000e-03 -3.6805000000e-03 -3.7930000000e-04 -3.8125000000e-03  1.9870000000e-03  2.0815000000e-03 -1.7481000000e-03
+
+JOB 55
+COORDS -5.3426600000e-01  8.5966900000e-01 -1.3492260000e+00 -6.7339700000e-01  2.9653000000e-01 -2.1106390000e+00 -5.6604700000e-01  2.6364900000e-01 -6.0090700000e-01  4.9039400000e-01 -7.4967400000e-01  1.3531620000e+00  6.1391300000e-01 -1.4603670000e+00  7.2396400000e-01  1.2737140000e+00 -7.7675900000e-01  1.9026230000e+00
+ENERGY -1.526565843290e+02
+FORCES -3.3450000000e-04 -3.6908000000e-03  2.7488000000e-03  1.0620000000e-03  1.4981000000e-03  3.3949000000e-03 -1.4524000000e-03  9.8130000000e-04 -7.4206000000e-03  6.3341000000e-03 -2.2041000000e-03  2.0177000000e-03 -2.2103000000e-03  4.4162000000e-03  1.3708000000e-03 -3.3988000000e-03 -1.0006000000e-03 -2.1116000000e-03
+
+JOB 56
+COORDS  6.5638000000e-01 -1.3312770000e+00  7.1047400000e-01  3.6832100000e-01 -9.4146400000e-01  1.5358830000e+00  1.6120510000e+00 -1.3287320000e+00  7.6448500000e-01 -7.0523700000e-01  1.3776030000e+00 -7.4990000000e-01 -4.5195000000e-02  9.8414700000e-01 -1.3206620000e+00 -1.1798410000e+00  6.3204000000e-01 -3.8231500000e-01
+ENERGY -1.526568211567e+02
+FORCES  3.8090000000e-03  2.1619000000e-03  4.4867000000e-03  4.7190000000e-04 -2.0882000000e-03 -3.8149000000e-03 -3.9685000000e-03 -1.4560000000e-04 -3.7630000000e-04  2.3248000000e-03 -7.7803000000e-03 -3.7870000000e-04 -2.3408000000e-03  3.3760000000e-03  6.6590000000e-04 -2.9650000000e-04  4.4761000000e-03 -5.8280000000e-04
+
+JOB 57
+COORDS -1.3030590000e+00  4.6784300000e-01  9.3182400000e-01 -1.6434860000e+00  6.1694100000e-01  4.9718000000e-02 -1.2266110000e+00  1.3435160000e+00  1.3107490000e+00  1.3586960000e+00 -5.4680400000e-01 -9.5120700000e-01  1.5071270000e+00  1.7018500000e-01 -3.3466300000e-01  4.8811700000e-01 -8.7738800000e-01 -7.2976100000e-01
+ENERGY -1.526569267603e+02
+FORCES -3.0183000000e-03  5.4126000000e-03 -7.9270000000e-04  2.8392000000e-03 -1.7510000000e-03  3.7632000000e-03  5.3500000000e-05 -3.8787000000e-03 -1.9171000000e-03 -4.1238000000e-03  1.4175000000e-03  6.4417000000e-03  1.1969000000e-03 -1.6996000000e-03 -3.5327000000e-03  3.0524000000e-03  4.9920000000e-04 -3.9624000000e-03
+
+JOB 58
+COORDS -7.7279000000e-02 -1.6671460000e+00 -6.4625000000e-02 -2.3678000000e-02 -2.0192520000e+00 -9.5309600000e-01  6.5422300000e-01 -2.0743240000e+00  3.9942600000e-01  4.3267000000e-02  1.7566170000e+00  3.5253000000e-02 -7.3182000000e-02  1.9563700000e+00  9.6410700000e-01 -1.7049000000e-02  8.0261400000e-01 -1.4459000000e-02
+ENERGY -1.526599121183e+02
+FORCES  3.0927000000e-03 -6.2689000000e-03 -2.1890000000e-03  5.4100000000e-05  1.5551000000e-03  4.2858000000e-03 -3.3772000000e-03  2.0013000000e-03 -2.1550000000e-03 -1.4197000000e-03 -5.6873000000e-03  3.1817000000e-03  7.1230000000e-04 -4.3650000000e-04 -3.0976000000e-03  9.3780000000e-04  8.8364000000e-03 -2.5900000000e-05
+
+JOB 59
+COORDS  6.3157800000e-01  1.0378010000e+00 -1.2712700000e+00  6.9391000000e-01  5.6805900000e-01 -2.1029480000e+00 -2.8200700000e-01  9.3425500000e-01 -1.0050490000e+00 -5.7131500000e-01 -9.4680900000e-01  1.2734080000e+00 -1.2070520000e+00 -1.6284680000e+00  1.0556640000e+00 -1.2411800000e-01 -1.2759430000e+00  2.0530990000e+00
+ENERGY -1.526546548695e+02
+FORCES -4.0918000000e-03 -3.8525000000e-03  2.8450000000e-04 -2.0230000000e-04  1.7959000000e-03  2.9612000000e-03  3.1259000000e-03  2.0679000000e-03 -3.7111000000e-03  1.0095000000e-03 -4.2636000000e-03  3.4123000000e-03  2.5528000000e-03  3.3603000000e-03  1.3460000000e-04 -2.3940000000e-03  8.9210000000e-04 -3.0815000000e-03
+
+JOB 60
+COORDS -6.6293600000e-01 -1.6730000000e-02  1.6734610000e+00  2.5140400000e-01 -2.9968200000e-01  1.6858410000e+00 -1.1449000000e+00 -7.4517700000e-01  2.0650070000e+00  6.0627700000e-01  5.9560000000e-02 -1.7509920000e+00  1.5480580000e+00  8.4780000000e-03 -1.5876820000e+00  2.3559500000e-01  3.6703700000e-01 -9.2377600000e-01
+ENERGY -1.526563454046e+02
+FORCES  1.1350000000e-04 -5.5608000000e-03  3.7115000000e-03 -3.7392000000e-03  2.1318000000e-03 -1.7955000000e-03  2.4131000000e-03  3.2982000000e-03 -1.0683000000e-03  5.8880000000e-04  1.7452000000e-03  4.2662000000e-03 -3.7099000000e-03 -1.5980000000e-04  2.4600000000e-05  4.3338000000e-03 -1.4545000000e-03 -5.1385000000e-03
+
+JOB 61
+COORDS  7.2083100000e-01 -5.8578400000e-01 -1.5681190000e+00  1.1400620000e+00 -2.4125500000e-01 -2.3566480000e+00 -1.7501400000e-01 -2.5081700000e-01 -1.6067280000e+00 -7.4315200000e-01  5.1876800000e-01  1.6422520000e+00 -4.2092000000e-02  4.9565000000e-02  1.1899300000e+00 -4.7312700000e-01  1.4367280000e+00  1.6164080000e+00
+ENERGY -1.526573822543e+02
+FORCES -1.9650000000e-03  2.0476000000e-03 -5.2757000000e-03 -2.0328000000e-03 -1.3170000000e-03  3.2160000000e-03  4.8990000000e-03 -1.2078000000e-03  5.7960000000e-04  5.3861000000e-03  1.1966000000e-03 -1.4133000000e-03 -4.7703000000e-03  2.6771000000e-03  2.9550000000e-03 -1.5171000000e-03 -3.3965000000e-03 -6.1500000000e-05
+
+JOB 62
+COORDS -1.6196530000e+00  4.2300000000e-02  9.7265800000e-01 -1.1485300000e+00 -5.2837800000e-01  1.5797830000e+00 -1.9013760000e+00 -5.3911900000e-01  2.6638900000e-01  1.5632420000e+00  4.1507000000e-02 -9.2299800000e-01  1.6511620000e+00 -7.8350300000e-01 -1.4003450000e+00  2.3000880000e+00  5.7291300000e-01 -1.2244890000e+00
+ENERGY -1.526531549363e+02
+FORCES  3.0211000000e-03 -4.2303000000e-03 -1.5203000000e-03 -2.8000000000e-03  1.8549000000e-03 -1.7434000000e-03  2.0790000000e-04  1.8293000000e-03  2.9984000000e-03  3.5810000000e-03 -2.2260000000e-04 -3.3720000000e-03 -9.3730000000e-04  3.1543000000e-03  2.3391000000e-03 -3.0728000000e-03 -2.3855000000e-03  1.2983000000e-03
+
+JOB 63
+COORDS  8.2860000000e-02  3.0883400000e-01 -1.9159840000e+00  4.2756600000e-01 -4.7132700000e-01 -2.3504470000e+00 -8.6270000000e-01  2.6463200000e-01 -2.0580890000e+00 -8.2767000000e-02 -2.0506500000e-01  1.9307780000e+00  6.8957900000e-01 -1.6519500000e-01  2.4948040000e+00 -1.8190100000e-01 -1.1346030000e+00  1.7249550000e+00
+ENERGY -1.526528801822e+02
+FORCES -2.8890000000e-03 -2.7694000000e-03 -1.5955000000e-03 -1.2720000000e-03  2.9628000000e-03  2.0639000000e-03  3.9311000000e-03 -8.5600000000e-05  6.7500000000e-05  3.4472000000e-03 -3.2103000000e-03  2.6470000000e-04 -3.2170000000e-03 -2.7600000000e-04 -2.0086000000e-03 -3.0000000000e-07  3.3786000000e-03  1.2081000000e-03
+
+JOB 64
+COORDS -1.3326400000e-01  1.6164340000e+00 -1.1606660000e+00  5.5730400000e-01  2.1499020000e+00 -1.5540620000e+00 -2.8876000000e-02  1.7458370000e+00 -2.1801600000e-01  6.1843000000e-02 -1.6298630000e+00  1.0811620000e+00 -3.5124400000e-01 -2.0262760000e+00  1.8482660000e+00  9.9770400000e-01 -1.6369070000e+00  1.2820270000e+00
+ENERGY -1.526536339413e+02
+FORCES  2.7688000000e-03  1.6303000000e-03  2.9617000000e-03 -2.6485000000e-03 -2.3076000000e-03  1.5864000000e-03 -6.6000000000e-05  9.0360000000e-04 -4.1759000000e-03  2.1484000000e-03 -2.5876000000e-03  3.4412000000e-03  1.7287000000e-03  1.9042000000e-03 -3.2443000000e-03 -3.9314000000e-03  4.5710000000e-04 -5.6900000000e-04
+
+JOB 65
+COORDS -1.8905090000e+00  8.0526400000e-01 -6.5862000000e-01 -2.2314560000e+00  1.2456200000e-01 -7.8421000000e-02 -9.9759900000e-01  5.2462900000e-01 -8.5908700000e-01  1.7909070000e+00 -7.7099800000e-01  6.4395500000e-01  2.1570410000e+00  1.0771500000e-01  5.4375300000e-01  2.5526800000e+00 -1.3505610000e+00  6.3753700000e-01
+ENERGY -1.526561355352e+02
+FORCES  2.9254000000e-03 -4.8614000000e-03  2.0561000000e-03  5.1990000000e-04  2.9432000000e-03 -2.4310000000e-03 -4.0970000000e-03  2.4369000000e-03  1.6300000000e-05  5.7137000000e-03  7.2920000000e-04  3.9510000000e-04 -1.9713000000e-03 -3.8302000000e-03 -1.3400000000e-04 -3.0908000000e-03  2.5823000000e-03  9.7600000000e-05
+
+JOB 66
+COORDS  1.5447100000e+00 -1.4385340000e+00  8.8157000000e-02  1.8863610000e+00 -2.3277150000e+00 -5.9810000000e-03  5.9434100000e-01 -1.5485690000e+00  1.1855500000e-01 -1.4538620000e+00  1.5272900000e+00 -1.1347700000e-01 -2.3619770000e+00  1.6647580000e+00 -3.8303200000e-01 -1.5106960000e+00  9.0856100000e-01  6.1465500000e-01
+ENERGY -1.526532962463e+02
+FORCES -2.4596000000e-03 -3.8084000000e-03 -1.0403000000e-03 -1.3972000000e-03  3.7220000000e-03  4.0580000000e-04  3.6303000000e-03  1.7950000000e-04  9.0370000000e-04 -3.8657000000e-03 -1.0412000000e-03  2.1521000000e-03  3.8906000000e-03 -7.0350000000e-04  1.0936000000e-03  2.0150000000e-04  1.6517000000e-03 -3.5149000000e-03
+
+JOB 67
+COORDS -7.3205100000e-01 -1.9600300000e+00 -5.3399900000e-01 -1.7000800000e-01 -1.6685940000e+00  1.8391800000e-01 -1.6110800000e+00 -1.9843800000e+00 -1.5591500000e-01  7.4401200000e-01  1.9017830000e+00  4.1100400000e-01  2.9844700000e-01  1.7995870000e+00  1.2519920000e+00  1.2712610000e+00  2.6940830000e+00  5.1347600000e-01
+ENERGY -1.526537443902e+02
+FORCES -6.5110000000e-04  2.1128000000e-03  4.0094000000e-03 -2.8644000000e-03 -2.1526000000e-03 -2.2466000000e-03  3.4765000000e-03  2.2800000000e-05 -1.3358000000e-03  4.7760000000e-04  3.7454000000e-03  3.3483000000e-03  1.8538000000e-03 -4.0690000000e-04 -3.4209000000e-03 -2.2924000000e-03 -3.3215000000e-03 -3.5440000000e-04
+
+JOB 68
+COORDS  1.0589840000e+00  1.8949090000e+00 -3.2896400000e-01  1.9434770000e+00  1.6477320000e+00 -5.9134000000e-02  5.6721400000e-01  1.0737370000e+00 -3.2052300000e-01 -1.0511700000e+00 -1.7876600000e+00  2.6471600000e-01 -1.2371260000e+00 -2.7265490000e+00  2.7655500000e-01 -1.4059300000e+00 -1.4622960000e+00  1.0920710000e+00
+ENERGY -1.526562861376e+02
+FORCES  1.2489000000e-03 -5.2835000000e-03  5.5600000000e-04 -3.2787000000e-03  1.2781000000e-03 -9.0040000000e-04  2.4645000000e-03  4.9999000000e-03  4.8870000000e-04 -3.0305000000e-03 -3.7784000000e-03  3.2471000000e-03  6.2640000000e-04  3.8974000000e-03  2.5950000000e-04  1.9694000000e-03 -1.1135000000e-03 -3.6509000000e-03
+
+JOB 69
+COORDS -3.9857700000e-01 -1.9050480000e+00 -1.1287130000e+00 -1.0136050000e+00 -2.4510480000e+00 -6.3896200000e-01  6.0696000000e-02 -1.3998780000e+00 -4.5781600000e-01  3.5316600000e-01  1.9027590000e+00  1.0210780000e+00  1.1876760000e+00  1.4793730000e+00  8.1965900000e-01  4.9979800000e-01  2.3337830000e+00  1.8630690000e+00
+ENERGY -1.526542444853e+02
+FORCES -1.4673000000e-03  6.7150000000e-04  5.0342000000e-03  2.5968000000e-03  1.8456000000e-03 -2.0881000000e-03 -7.0090000000e-04 -2.7153000000e-03 -2.9588000000e-03  4.1986000000e-03  1.4663000000e-03  2.6873000000e-03 -4.0071000000e-03  6.4500000000e-04  9.0460000000e-04 -6.2010000000e-04 -1.9132000000e-03 -3.5792000000e-03
+
+JOB 70
+COORDS -4.3439100000e-01  1.2010610000e+00  1.7440180000e+00 -4.6254100000e-01  2.1420740000e+00  1.9170280000e+00 -5.5442000000e-02  8.2243500000e-01  2.5372850000e+00  3.6674900000e-01 -1.1916310000e+00 -1.7787580000e+00  6.6800400000e-01 -1.2784600000e+00 -2.6831580000e+00  8.9152500000e-01 -1.8249770000e+00 -1.2891520000e+00
+ENERGY -1.526527589126e+02
+FORCES  1.4050000000e-03  2.4079000000e-03  3.4694000000e-03  7.1600000000e-05 -3.8563000000e-03 -6.0610000000e-04 -1.4715000000e-03  1.3529000000e-03 -3.2851000000e-03  3.3378000000e-03 -2.6598000000e-03 -1.0448000000e-03 -1.3142000000e-03  4.8420000000e-04  3.6747000000e-03 -2.0287000000e-03  2.2711000000e-03 -2.2081000000e-03
+
+JOB 71
+COORDS  1.1156500000e-01  1.5913000000e-01 -2.2839730000e+00  3.4050800000e-01  1.0136040000e+00 -1.9183340000e+00  3.2630100000e-01 -4.6419800000e-01 -1.5900110000e+00 -1.2969000000e-01 -1.5680000000e-01  2.2832580000e+00 -4.4262700000e-01  3.8754300000e-01  1.5607670000e+00  2.5055000000e-02 -1.0146660000e+00  1.8878440000e+00
+ENERGY -1.526533030386e+02
+FORCES  2.6669000000e-03  1.0744000000e-03  3.2165000000e-03 -1.4773000000e-03 -3.9026000000e-03 -1.0228000000e-03 -1.5875000000e-03  2.7546000000e-03 -2.1141000000e-03 -1.5350000000e-03 -1.4692000000e-03 -3.6203000000e-03  2.2165000000e-03 -2.4218000000e-03  2.5472000000e-03 -2.8360000000e-04  3.9646000000e-03  9.9360000000e-04
+
+JOB 72
+COORDS  1.1247910000e+00 -7.0684000000e-02  2.0416690000e+00  3.8219100000e-01 -1.0831200000e-01  1.4388740000e+00  1.6962720000e+00  6.0484400000e-01  1.6765620000e+00 -1.1720950000e+00  6.5785000000e-02 -2.0291900000e+00 -1.2317950000e+00 -3.1866700000e-01 -1.1546250000e+00 -2.4820400000e-01 -1.7301000000e-02 -2.2653110000e+00
+ENERGY -1.526531101297e+02
+FORCES -5.0410000000e-04  3.3525000000e-03 -3.2198000000e-03  2.8188000000e-03 -5.5850000000e-04  1.5832000000e-03 -2.4277000000e-03 -3.1751000000e-03  1.3423000000e-03  3.0558000000e-03 -2.6232000000e-03  1.4780000000e-03  9.9820000000e-04  2.3250000000e-03 -2.7548000000e-03 -3.9410000000e-03  6.7930000000e-04  1.5711000000e-03
+
+JOB 73
+COORDS -3.2043000000e-02 -2.2879430000e+00 -1.2328500000e-01  1.1494500000e-01 -2.9197510000e+00 -8.2716300000e-01 -9.8205100000e-01 -2.1735970000e+00 -9.7952000000e-02  1.0330400000e-01  2.2841480000e+00  2.1719300000e-01  1.7948800000e-01  3.2251710000e+00  5.9385000000e-02 -4.3026100000e-01  1.9614450000e+00 -5.0903300000e-01
+ENERGY -1.526534241178e+02
+FORCES -3.1138000000e-03 -2.2817000000e-03 -2.2726000000e-03 -6.2600000000e-04  2.7225000000e-03  2.8474000000e-03  3.8678000000e-03 -2.9860000000e-04 -4.7390000000e-04 -1.5169000000e-03  1.9802000000e-03 -3.7569000000e-03 -2.8890000000e-04 -3.8667000000e-03  6.8480000000e-04  1.6778000000e-03  1.7444000000e-03  2.9713000000e-03
+
+JOB 74
+COORDS  1.4549000000e-01 -1.9343130000e+00  1.4862000000e+00  5.9280300000e-01 -1.4040050000e+00  8.2671900000e-01  3.2751000000e-01 -1.4907560000e+00  2.3146670000e+00 -2.2728000000e-01  1.8542100000e+00 -1.4620480000e+00  6.2627200000e-01  2.1812090000e+00 -1.1778800000e+00 -2.4237300000e-01  2.0115200000e+00 -2.4061130000e+00
+ENERGY -1.526543337777e+02
+FORCES  1.8710000000e-03  4.5470000000e-03  1.3240000000e-04 -1.0049000000e-03 -2.6864000000e-03  3.1936000000e-03 -5.0620000000e-04 -1.8949000000e-03 -3.1852000000e-03  2.8359000000e-03  2.5627000000e-03 -3.3372000000e-03 -3.3970000000e-03 -1.9338000000e-03 -8.1020000000e-04  2.0120000000e-04 -5.9470000000e-04  4.0066000000e-03
+
+JOB 75
+COORDS  3.5047600000e-01 -9.1427300000e-01  2.3408590000e+00  9.7227600000e-01 -1.5402330000e+00  1.9696840000e+00  1.6493800000e-01 -1.2513190000e+00  3.2173330000e+00 -3.5168900000e-01  9.4178700000e-01 -2.3141130000e+00 -1.2302900000e+00  8.7350200000e-01 -2.6877840000e+00  1.1320500000e-01  1.5378060000e+00 -2.9013670000e+00
+ENERGY -1.526534979064e+02
+FORCES  1.8965000000e-03 -3.8517000000e-03  1.4298000000e-03 -2.4623000000e-03  2.3713000000e-03  1.9464000000e-03  6.6810000000e-04  1.4441000000e-03 -3.5461000000e-03 -1.9236000000e-03  2.2981000000e-03 -3.4871000000e-03  3.6465000000e-03  2.5300000000e-04  1.3132000000e-03 -1.8252000000e-03 -2.5149000000e-03  2.3437000000e-03
+
+JOB 76
+COORDS -8.9595100000e-01  2.4823330000e+00  3.5241000000e-02 -1.5540710000e+00  1.9994330000e+00 -4.6467600000e-01 -1.3370100000e-01  2.5174680000e+00 -5.4266300000e-01  9.0101000000e-01 -2.5229650000e+00  3.2326000000e-02  1.2210980000e+00 -1.9500020000e+00 -6.6444400000e-01  4.1481600000e-01 -1.9414400000e+00  6.1685700000e-01
+ENERGY -1.526541999241e+02
+FORCES -1.8000000000e-05 -8.1340000000e-04 -4.6173000000e-03  3.0807000000e-03  1.6385000000e-03  2.2361000000e-03 -3.0650000000e-03 -6.8800000000e-04  2.5230000000e-03 -5.3310000000e-04  4.7373000000e-03  2.9900000000e-05 -1.4226000000e-03 -2.2376000000e-03  2.5881000000e-03  1.9580000000e-03 -2.6368000000e-03 -2.7597000000e-03
+
+JOB 77
+COORDS -5.4793900000e-01  2.2151880000e+00  1.3003880000e+00 -1.4374140000e+00  2.5552730000e+00  1.3973770000e+00  1.6745000000e-02  2.9404060000e+00  1.5676390000e+00  5.8478600000e-01 -2.2997920000e+00 -1.2685740000e+00  4.3257600000e-01 -1.3634310000e+00 -1.3962140000e+00  3.7001800000e-01 -2.6951970000e+00 -2.1134190000e+00
+ENERGY -1.526545212780e+02
+FORCES -1.3312000000e-03  4.3544000000e-03  2.0190000000e-03  3.6752000000e-03 -1.3405000000e-03 -5.5460000000e-04 -2.3731000000e-03 -2.9260000000e-03 -1.2194000000e-03 -1.5956000000e-03  2.7480000000e-03 -3.4748000000e-03  7.6770000000e-04 -4.3522000000e-03 -1.2640000000e-04  8.5690000000e-04  1.5164000000e-03  3.3562000000e-03
+
+JOB 78
+COORDS  3.3539000000e-01  2.9176820000e+00  1.4485100000e+00  2.4745600000e-01  3.6061630000e+00  7.8934900000e-01  1.1322510000e+00  2.4487210000e+00  1.2008820000e+00 -4.1854600000e-01 -2.8951380000e+00 -1.3599220000e+00 -4.9745800000e-01 -3.7826650000e+00 -1.7096380000e+00  4.2155300000e-01 -2.5797350000e+00 -1.6930690000e+00
+ENERGY -1.526537631792e+02
+FORCES  2.6947000000e-03  6.7370000000e-04 -3.7450000000e-03  4.3110000000e-04 -2.7497000000e-03  2.7022000000e-03 -3.1048000000e-03  2.0118000000e-03  9.8750000000e-04  2.9888000000e-03 -2.4050000000e-03 -2.7217000000e-03  3.4330000000e-04  3.6540000000e-03  1.4143000000e-03 -3.3531000000e-03 -1.1847000000e-03  1.3626000000e-03
+
+JOB 79
+COORDS  1.7408340000e+00  1.6978030000e+00  2.5756980000e+00  1.8400670000e+00  1.9526760000e+00  3.4929900000e+00  7.9956100000e-01  1.7545520000e+00  2.4113290000e+00 -1.6932710000e+00 -1.6453490000e+00 -2.6151820000e+00 -1.8883800000e+00 -2.3041030000e+00 -1.9486920000e+00 -1.4806540000e+00 -2.1523670000e+00 -3.3987380000e+00
+ENERGY -1.526540922318e+02
+FORCES -3.5305000000e-03  1.3210000000e-03  2.8442000000e-03 -3.7850000000e-04 -1.0707000000e-03 -3.7047000000e-03  3.8828000000e-03 -2.3830000000e-04  8.8290000000e-04  2.8450000000e-04 -4.7873000000e-03 -5.2560000000e-04  6.8710000000e-04  2.7268000000e-03 -2.6789000000e-03 -9.4540000000e-04  2.0484000000e-03  3.1821000000e-03
+
+JOB 80
+COORDS  7.4246700000e-01  1.9319900000e+00  2.9809730000e+00 -7.4135000000e-02  1.9509510000e+00  2.4819400000e+00  8.7790300000e-01  1.0065370000e+00  3.1845080000e+00 -6.7707800000e-01 -1.8315200000e+00 -2.9915520000e+00 -6.9576800000e-01 -2.7495870000e+00 -3.2618010000e+00 -1.1535120000e+00 -1.8159460000e+00 -2.1614920000e+00
+ENERGY -1.526538609651e+02
+FORCES -2.6547000000e-03 -3.6046000000e-03 -1.3232000000e-03  3.2619000000e-03 -1.7610000000e-04  2.1064000000e-03 -6.4250000000e-04  3.7336000000e-03 -8.0760000000e-04 -1.9999000000e-03 -3.7685000000e-03  2.0793000000e-03  6.3500000000e-05  3.7818000000e-03  1.1685000000e-03  1.9718000000e-03  3.3800000000e-05 -3.2234000000e-03
+
+JOB 81
+COORDS -3.8517400000e-01  3.6164450000e+00 -1.3522780000e+00  3.4539200000e-01  3.2356780000e+00 -8.6491600000e-01 -1.1660600000e+00  3.3193390000e+00 -8.8518200000e-01  3.8966900000e-01 -3.6396570000e+00  1.2700620000e+00 -3.6665100000e-01 -3.1199210000e+00  1.5422500000e+00  1.1456310000e+00 -3.0907860000e+00  1.4786170000e+00
+ENERGY -1.526538015287e+02
+FORCES -2.2500000000e-04 -2.6823000000e-03  3.7673000000e-03 -3.0121000000e-03  1.4834000000e-03 -1.9051000000e-03  3.2436000000e-03  1.1514000000e-03 -1.8346000000e-03  2.3300000000e-05  4.1689000000e-03  1.9861000000e-03  3.1228000000e-03 -1.9950000000e-03 -1.1410000000e-03 -3.1526000000e-03 -2.1264000000e-03 -8.7270000000e-04
+
+JOB 82
+COORDS  1.2152500000e-01 -3.6141790000e+00  1.5365080000e+00  8.0033900000e-01 -3.7322020000e+00  8.7204300000e-01  5.6797400000e-01 -3.7774830000e+00  2.3673190000e+00 -2.1696600000e-01  3.6585220000e+00 -1.6023020000e+00 -9.7352000000e-02  2.7197170000e+00 -1.4588810000e+00  1.9706500000e-01  4.0717140000e+00 -8.4462000000e-01
+ENERGY -1.526541613852e+02
+FORCES  4.5372000000e-03 -1.4128000000e-03  7.3350000000e-04 -2.7690000000e-03  6.3940000000e-04  2.7051000000e-03 -1.8036000000e-03  7.5320000000e-04 -3.4218000000e-03  2.0244000000e-03 -2.2364000000e-03  3.7558000000e-03 -3.6490000000e-04  3.8957000000e-03 -6.6210000000e-04 -1.6241000000e-03 -1.6390000000e-03 -3.1104000000e-03
+
+JOB 83
+COORDS -8.4341000000e-02  1.0107060000e+00  3.9343880000e+00  5.4733500000e-01  3.6534300000e-01  4.2517580000e+00 -9.2845700000e-01  7.0265000000e-01  4.2642380000e+00  6.2105000000e-02 -9.5212600000e-01 -4.0286500000e+00  4.8546700000e-01 -2.3051600000e-01 -3.5635960000e+00  2.3812100000e-01 -1.7221590000e+00 -3.4880040000e+00
+ENERGY -1.526541915780e+02
+FORCES -9.4590000000e-04 -3.8023000000e-03  2.8098000000e-03 -2.5552000000e-03  2.6023000000e-03 -1.4023000000e-03  3.4863000000e-03  1.2223000000e-03 -1.3867000000e-03  2.4208000000e-03 -7.6400000000e-05  4.1984000000e-03 -1.6915000000e-03 -3.0023000000e-03 -1.9837000000e-03 -7.1450000000e-04  3.0564000000e-03 -2.2356000000e-03
+
+JOB 84
+COORDS -1.0912480000e+00  4.3810020000e+00 -6.6879700000e-01 -7.1294600000e-01  3.5252250000e+00 -8.7070100000e-01 -1.2907340000e+00  4.7629060000e+00 -1.5235410000e+00  1.0862540000e+00 -4.3855590000e+00  6.6421100000e-01  4.1476700000e-01 -4.5765710000e+00  1.3190780000e+00  1.6540770000e+00 -3.7394310000e+00  1.0841250000e+00
+ENERGY -1.526541677117e+02
+FORCES  7.0330000000e-04 -1.9294000000e-03 -4.3812000000e-03 -1.5209000000e-03  3.4931000000e-03  8.9070000000e-04  8.1700000000e-04 -1.5442000000e-03  3.4999000000e-03 -4.0880000000e-04  1.7673000000e-03  4.4670000000e-03  2.7397000000e-03  8.0080000000e-04 -2.7019000000e-03 -2.3303000000e-03 -2.5876000000e-03 -1.7744000000e-03
+
+JOB 85
+COORDS -7.6087600000e-01  2.2294320000e+00 -4.1219860000e+00 -1.5996610000e+00  2.2803250000e+00 -3.6636400000e+00 -2.3716000000e-01  1.6237350000e+00 -3.5975000000e+00  7.5679900000e-01 -2.2600340000e+00  4.0894030000e+00  2.9594900000e-01 -1.4248690000e+00  4.1690760000e+00  1.5674290000e+00 -2.0438160000e+00  3.6285770000e+00
+ENERGY -1.526540000073e+02
+FORCES -1.3452000000e-03 -2.3087000000e-03  3.9185000000e-03  3.4628000000e-03 -1.8940000000e-04 -1.8266000000e-03 -2.1052000000e-03  2.5079000000e-03 -2.0767000000e-03  1.4976000000e-03  4.2564000000e-03 -1.4013000000e-03  1.8569000000e-03 -3.4062000000e-03 -4.2140000000e-04 -3.3669000000e-03 -8.6000000000e-04  1.8074000000e-03
+
+JOB 86
+COORDS -3.3179270000e+00 -1.0965000000e+00  3.8036110000e+00 -4.2157010000e+00 -1.4251610000e+00  3.7565310000e+00 -2.7750480000e+00 -1.8450610000e+00  3.5562840000e+00  3.3748340000e+00  1.2033640000e+00 -3.7795370000e+00  2.4203160000e+00  1.1509630000e+00 -3.8283190000e+00  3.6711150000e+00  3.0098100000e-01 -3.8985130000e+00
+ENERGY -1.526540300306e+02
+FORCES -1.4520000000e-03 -4.3855000000e-03 -1.1278000000e-03  3.6738000000e-03  1.3382000000e-03  1.6300000000e-04 -2.2164000000e-03  3.0539000000e-03  9.6330000000e-04 -2.7066000000e-03 -3.8521000000e-03 -6.4540000000e-04  3.9084000000e-03  1.8150000000e-04  1.6790000000e-04 -1.2071000000e-03  3.6639000000e-03  4.7900000000e-04
+
+JOB 87
+COORDS  3.7381590000e+00  1.8795000000e+00  3.5134520000e+00  4.0531890000e+00  2.4403590000e+00  2.8046320000e+00  2.9991190000e+00  2.3586680000e+00  3.8882190000e+00 -3.7169100000e+00 -1.9296550000e+00 -3.5619540000e+00 -3.6853090000e+00 -2.7149180000e+00 -3.0155150000e+00 -3.7122460000e+00 -1.2032090000e+00 -2.9386670000e+00
+ENERGY -1.526540869656e+02
+FORCES -1.6572000000e-03  4.2756000000e-03 -1.3480000000e-03 -1.3176000000e-03 -2.2986000000e-03  2.8937000000e-03  2.9787000000e-03 -1.9808000000e-03 -1.5447000000e-03  1.7380000000e-04 -2.8180000000e-04  4.7836000000e-03 -1.4890000000e-04  3.2165000000e-03 -2.2357000000e-03 -2.8700000000e-05 -2.9309000000e-03 -2.5490000000e-03
+
+JOB 88
+COORDS -5.5603180000e+00  6.2179090000e+00  1.1431440000e+00 -4.8437320000e+00  6.5029030000e+00  5.7612100000e-01 -6.3505080000e+00  6.3639130000e+00  6.2303400000e-01  5.5920300000e+00 -6.2975310000e+00 -1.0549990000e+00  4.6667380000e+00 -6.1069450000e+00 -1.2090930000e+00  6.0561750000e+00 -5.5435850000e+00 -1.4188220000e+00
+ENERGY -1.526540697207e+02
+FORCES -3.1490000000e-04  1.7755000000e-03 -4.4241000000e-03 -2.9157000000e-03 -1.1743000000e-03  2.3087000000e-03  3.2306000000e-03 -6.0200000000e-04  2.1168000000e-03 -1.8873000000e-03  3.8549000000e-03 -2.0972000000e-03  3.7783000000e-03 -7.7810000000e-04  6.1890000000e-04 -1.8910000000e-03 -3.0760000000e-03  1.4769000000e-03
+
+JOB 89
+COORDS -1.3801464000e+01  3.0351700000e-01 -1.4926620000e+00 -1.3251499000e+01  9.3644200000e-01 -1.0309500000e+00 -1.3427574000e+01 -5.4843300000e-01 -1.2676770000e+00  1.3701571000e+01 -2.6854000000e-01  1.4934870000e+00  1.4493923000e+01 -7.5190400000e-01  1.7275130000e+00  1.3745868000e+01 -1.8171100000e-01  5.4126300000e-01
+ENERGY -1.526540801287e+02
+FORCES  3.7710000000e-03 -8.9250000000e-04  2.8027000000e-03 -2.2448000000e-03 -2.5818000000e-03 -1.8841000000e-03 -1.5266000000e-03  3.4742000000e-03 -9.1870000000e-04  3.4169000000e-03 -1.6162000000e-03 -2.9296000000e-03 -3.2336000000e-03  1.9710000000e-03 -9.5460000000e-04 -1.8300000000e-04 -3.5480000000e-04  3.8843000000e-03
+
+JOB 0
+COORDS -7.7376200000e-01 -7.6355900000e-01 -7.6935000000e-01 -2.1819900000e-01 -2.9544700000e-01 -1.4609000000e-01 -8.5884200000e-01 -1.6431340000e+00 -4.0146100000e-01  7.2974800000e-01  7.2711400000e-01  6.7896500000e-01  1.2521800000e-01  1.4490680000e+00  8.5088800000e-01  1.5696960000e+00  1.0301510000e+00  1.0237670000e+00
+ENERGY -1.526567244675e+02
+FORCES  1.2835500000e-02  7.8869000000e-03  1.0625900000e-02 -7.7239000000e-03  1.1257000000e-03 -9.0260000000e-04  1.5064000000e-03  2.8609000000e-03  3.7100000000e-05 -5.1385000000e-03 -7.9265000000e-03 -8.1249000000e-03  3.7540000000e-03 -4.9170000000e-03 -1.0742000000e-03 -5.2336000000e-03  9.7010000000e-04 -5.6130000000e-04
+
+JOB 1
+COORDS  3.7360000000e-02  1.0401630000e+00 -7.2127500000e-01 -8.2868100000e-01  1.2887990000e+00 -1.0443610000e+00  2.8165200000e-01  1.7456180000e+00 -1.2220500000e-01  4.9303000000e-02 -1.1164620000e+00  7.3587800000e-01  3.9913000000e-02 -4.8689400000e-01  1.4915000000e-02 -8.7421300000e-01 -1.3076420000e+00  8.9958500000e-01
+ENERGY -1.526571743463e+02
+FORCES -8.3490000000e-04 -5.8843000000e-03  1.0344400000e-02  3.9957000000e-03 -2.1894000000e-03  3.2662000000e-03 -2.5082000000e-03 -2.4458000000e-03 -4.3132000000e-03 -1.7998000000e-03  1.6457100000e-02 -1.1906100000e-02 -9.2890000000e-04 -7.9391000000e-03  4.0137000000e-03  2.0762000000e-03  2.0015000000e-03 -1.4050000000e-03
+
+JOB 2
+COORDS -1.0226100000e+00  8.7400200000e-01 -7.2037000000e-02 -1.5445670000e+00  6.4683400000e-01 -8.4157500000e-01 -1.3550100000e-01  5.8887400000e-01 -2.9105900000e-01  9.4899600000e-01 -8.7043000000e-01  1.1533100000e-01  1.6035440000e+00 -4.2538500000e-01 -4.2293800000e-01  1.2540060000e+00 -7.4788400000e-01  1.0143210000e+00
+ENERGY -1.526522037959e+02
+FORCES  1.0447800000e-02 -1.4151800000e-02 -5.7250000000e-04  2.5476000000e-03  4.5000000000e-04  2.0929000000e-03  1.0649000000e-03  7.9026000000e-03 -3.3084000000e-03 -4.2855000000e-03  3.8578000000e-03  4.9912000000e-03 -9.0064000000e-03  2.1283000000e-03  2.3077000000e-03 -7.6840000000e-04 -1.8680000000e-04 -5.5111000000e-03
+
+JOB 3
+COORDS -5.8568500000e-01 -9.3361900000e-01 -6.2547800000e-01 -7.9202900000e-01 -1.8380710000e+00 -3.8963700000e-01 -4.2723700000e-01 -9.6182600000e-01 -1.5690510000e+00  5.8854300000e-01  1.0135310000e+00  7.3741700000e-01  1.2416000000e-01  2.7431500000e-01  3.4481200000e-01  1.0685170000e+00  1.4091710000e+00  9.8690000000e-03
+ENERGY -1.526583634151e+02
+FORCES  5.0677000000e-03  4.9462000000e-03  3.2672000000e-03  1.0450000000e-03  4.3349000000e-03 -2.7637000000e-03 -7.5880000000e-04 -9.1470000000e-04  4.7896000000e-03 -6.7581000000e-03 -1.2552400000e-02 -1.0607400000e-02  2.9306000000e-03  5.5757000000e-03  4.2783000000e-03 -1.5265000000e-03 -1.3895000000e-03  1.0361000000e-03
+
+JOB 4
+COORDS  7.8799000000e-02  6.3085700000e-01 -1.1511710000e+00  9.0968500000e-01  9.9406000000e-01 -8.4466900000e-01  2.8217200000e-01  2.5646900000e-01 -2.0083200000e+00 -1.8554700000e-01 -6.0740400000e-01  1.2374470000e+00  5.6589200000e-01 -1.1974010000e+00  1.2963950000e+00 -2.4870700000e-01 -3.9145200000e-01  3.0706700000e-01
+ENERGY -1.526592217619e+02
+FORCES  3.3763000000e-03  6.8800000000e-05  3.0219000000e-03 -4.1391000000e-03 -3.9014000000e-03 -2.2295000000e-03  3.0000000000e-06  1.3272000000e-03  5.4025000000e-03  1.0359000000e-03  3.7796000000e-03 -1.3933300000e-02 -1.5128000000e-03  2.7849000000e-03 -1.3407000000e-03  1.2367000000e-03 -4.0592000000e-03  9.0792000000e-03
+
+JOB 5
+COORDS -3.2380000000e-03 -8.1175300000e-01  1.0082070000e+00  5.5173900000e-01 -1.5894760000e+00  9.5008000000e-01 -2.0811400000e-01 -7.3221100000e-01  1.9398350000e+00 -4.5890000000e-03  8.2577600000e-01 -1.1181280000e+00  2.5644400000e-01  4.3465100000e-01 -2.8439300000e-01 -4.5747600000e-01  1.6327350000e+00 -8.7329700000e-01
+ENERGY -1.526583028461e+02
+FORCES -8.2800000000e-05  1.0563000000e-03 -2.7324000000e-03 -2.7426000000e-03  4.5375000000e-03  1.0926000000e-03  1.0639000000e-03 -9.8030000000e-04 -4.7423000000e-03 -1.8749000000e-03 -6.8869000000e-03  1.2834800000e-02  2.4329000000e-03  4.7996000000e-03 -6.6754000000e-03  1.2035000000e-03 -2.5262000000e-03  2.2270000000e-04
+
+JOB 6
+COORDS -9.4096700000e-01  3.1481900000e-01 -8.7171800000e-01 -1.6078320000e+00  8.5081500000e-01 -4.4249600000e-01 -5.8525900000e-01  8.7876800000e-01 -1.5584970000e+00  9.7363800000e-01 -4.4472400000e-01  9.1178100000e-01  1.3068910000e+00  3.9220300000e-01  1.2353970000e+00  4.5753500000e-01 -2.1491500000e-01  1.3908600000e-01
+ENERGY -1.526588902118e+02
+FORCES -3.3910000000e-04  2.0303000000e-03  4.5994000000e-03  3.6762000000e-03 -1.5719000000e-03 -3.4838000000e-03 -2.8260000000e-04 -2.7679000000e-03  5.6001000000e-03 -1.0391600000e-02  5.9154000000e-03 -9.4306000000e-03 -1.7011000000e-03 -1.8407000000e-03 -1.4872000000e-03  9.0383000000e-03 -1.7653000000e-03  4.2021000000e-03
+
+JOB 7
+COORDS  7.8168900000e-01  1.8793000000e-01 -1.0365870000e+00  4.1580300000e-01  1.9794000000e-02 -1.9049700000e+00  1.2771450000e+00  1.0006040000e+00 -1.1381610000e+00 -7.8151300000e-01 -2.6474800000e-01  1.1557710000e+00 -1.5347350000e+00  2.7990100000e-01  9.2719400000e-01 -1.8573700000e-01 -1.7472600000e-01  4.1201100000e-01
+ENERGY -1.526603135343e+02
+FORCES -2.6788000000e-03  1.3217000000e-03  1.9112000000e-03  1.9501000000e-03  2.2218000000e-03  4.2485000000e-03 -3.0601000000e-03 -4.0589000000e-03 -1.0023000000e-03  6.9146000000e-03  4.0715000000e-03 -1.2669600000e-02  1.9470000000e-03 -1.3509000000e-03  1.7440000000e-04 -5.0728000000e-03 -2.2051000000e-03  7.3379000000e-03
+
+JOB 8
+COORDS -1.1391700000e+00  7.4126300000e-01 -3.9898900000e-01 -1.6842680000e+00  1.4304800000e-01  1.1212700000e-01 -2.4881100000e-01  5.8130800000e-01 -8.6085000000e-02  1.1054140000e+00 -7.0614900000e-01  2.9010300000e-01  6.7785100000e-01 -1.1065580000e+00  1.0471340000e+00  1.7930430000e+00 -1.5638300000e-01  6.6580800000e-01
+ENERGY -1.526558685505e+02
+FORCES  1.1146900000e-02 -1.0212400000e-02  3.6022000000e-03  1.6624000000e-03  1.4797000000e-03 -6.9940000000e-04 -5.5682000000e-03  7.0668000000e-03  1.4230000000e-03 -1.3801000000e-03 -1.3873000000e-03  2.6809000000e-03  4.4710000000e-04  4.1193000000e-03 -4.4535000000e-03 -6.3081000000e-03 -1.0660000000e-03 -2.5533000000e-03
+
+JOB 9
+COORDS  1.2285060000e+00 -5.3884300000e-01  1.4994800000e-01  1.8988250000e+00  4.6271000000e-02  5.0285800000e-01  8.9037000000e-01 -1.0051640000e+00  9.1443500000e-01 -1.2806930000e+00  5.6186000000e-01 -1.7028300000e-01 -1.6548460000e+00  2.0185700000e-01 -9.7442200000e-01 -3.4465400000e-01  3.7259400000e-01 -2.3540900000e-01
+ENERGY -1.526612138040e+02
+FORCES -1.8421000000e-03 -4.8770000000e-04  4.8530000000e-03 -4.6684000000e-03 -2.4783000000e-03 -1.4772000000e-03  2.2299000000e-03  3.3587000000e-03 -4.3039000000e-03  1.2052200000e-02 -5.3101000000e-03 -2.3361000000e-03  1.7510000000e-03  5.1720000000e-04  2.5146000000e-03 -9.5227000000e-03  4.4001000000e-03  7.4950000000e-04
+
+JOB 10
+COORDS  4.5691800000e-01  9.3588400000e-01  8.3361300000e-01  1.1503360000e+00  1.5957350000e+00  8.3415600000e-01 -3.4863200000e-01  1.4343940000e+00  6.9646900000e-01 -4.3169700000e-01 -1.0635920000e+00 -8.3369100000e-01 -1.8698600000e-01 -4.5108000000e-01 -1.4002100000e-01 -1.0409030000e+00 -5.7170200000e-01 -1.3842760000e+00
+ENERGY -1.526571068132e+02
+FORCES  1.9788000000e-03  5.3180000000e-04 -4.2660000000e-03 -4.7222000000e-03 -1.5232000000e-03  7.5510000000e-04  3.8404000000e-03 -5.3310000000e-03 -1.8838000000e-03  5.2097000000e-03  9.9175000000e-03  6.1881000000e-03 -8.0860000000e-03 -3.3874000000e-03 -3.5348000000e-03  1.7794000000e-03 -2.0770000000e-04  2.7414000000e-03
+
+JOB 11
+COORDS -2.2857900000e-01  1.4034660000e+00  6.2750000000e-03 -2.0506400000e-01  4.6446000000e-01 -1.7797300000e-01 -6.2395200000e-01  1.4676190000e+00  8.7564000000e-01  2.5747100000e-01 -1.3032670000e+00 -9.1442000000e-02 -5.3790400000e-01 -1.7440470000e+00  2.0742900000e-01  9.6057500000e-01 -1.7045210000e+00  4.1931300000e-01
+ENERGY -1.526588380526e+02
+FORCES  2.6925000000e-03 -1.3918600000e-02  1.7337000000e-03 -5.3511000000e-03  7.9165000000e-03 -4.3660000000e-04  9.1150000000e-04 -8.2740000000e-04 -2.3202000000e-03  2.4193000000e-03  2.1732000000e-03  3.7113000000e-03  3.9741000000e-03  4.4331000000e-03 -6.0660000000e-04 -4.6463000000e-03  2.2330000000e-04 -2.0816000000e-03
+
+JOB 12
+COORDS -6.4721800000e-01 -1.1973930000e+00  4.1986500000e-01 -8.4519500000e-01 -1.6015480000e+00 -4.2494000000e-01 -3.1660400000e-01 -3.2696100000e-01  1.9788800000e-01  6.2608600000e-01  1.1125460000e+00 -3.8994800000e-01  1.2495210000e+00  1.2554420000e+00  3.2219000000e-01  2.2529400000e-01  1.9698330000e+00 -5.3367100000e-01
+ENERGY -1.526610313967e+02
+FORCES  5.5975000000e-03  1.0898500000e-02 -7.6347000000e-03  1.8990000000e-04  1.2118000000e-03  2.1949000000e-03 -3.3940000000e-03 -7.6943000000e-03  5.4268000000e-03 -7.1700000000e-05  6.8210000000e-04  2.3220000000e-03 -4.8472000000e-03 -7.0660000000e-04 -3.5006000000e-03  2.5255000000e-03 -4.3914000000e-03  1.1916000000e-03
+
+JOB 13
+COORDS  1.2145860000e+00  3.4135600000e-01 -3.6428100000e-01  2.0841610000e+00 -3.1918000000e-02 -2.2027700000e-01  1.3598650000e+00  1.0560220000e+00 -9.8426500000e-01 -1.2871980000e+00 -3.9167400000e-01  4.5690600000e-01 -1.9214960000e+00 -1.2142100000e-01 -2.0706800000e-01 -4.3499900000e-01 -1.8697400000e-01  7.2084000000e-02
+ENERGY -1.526600936962e+02
+FORCES -1.8797000000e-03 -1.1497000000e-03  1.4203000000e-03 -3.2456000000e-03  3.3635000000e-03 -1.7936000000e-03 -3.2900000000e-05 -3.9448000000e-03  2.7412000000e-03  1.1165500000e-02  3.5435000000e-03 -5.2037000000e-03  2.9159000000e-03  7.3200000000e-05  1.2743000000e-03 -8.9232000000e-03 -1.8857000000e-03  1.5615000000e-03
+
+JOB 14
+COORDS -2.8351300000e-01 -1.0545270000e+00 -7.7092200000e-01  3.1086500000e-01 -1.7749440000e+00 -9.8055400000e-01 -5.0407400000e-01 -6.7068100000e-01 -1.6195960000e+00  2.3590200000e-01  1.1132300000e+00  8.7532700000e-01 -1.8585900000e-01  4.5862600000e-01  3.1869100000e-01  1.1636270000e+00  1.0620740000e+00  6.4523900000e-01
+ENERGY -1.526586167396e+02
+FORCES  3.7809000000e-03  3.0670000000e-04  5.3430000000e-04 -2.9825000000e-03  3.6991000000e-03 -6.8160000000e-04  2.0174000000e-03 -7.5220000000e-04  5.5951000000e-03  8.9930000000e-04 -1.2391900000e-02 -7.9874000000e-03 -1.9661000000e-03  8.1189000000e-03  1.5652000000e-03 -1.7490000000e-03  1.0194000000e-03  9.7430000000e-04
+
+JOB 15
+COORDS -2.4571000000e-01  8.3687200000e-01 -1.1422720000e+00 -1.4542200000e-01  4.6374400000e-01 -2.6651600000e-01  6.4986000000e-01  9.3263700000e-01 -1.4663330000e+00  1.9208700000e-01 -7.5258400000e-01  1.0863580000e+00 -4.0936500000e-01 -1.0970360000e+00  1.7465400000e+00  7.0417200000e-01 -1.5121080000e+00  8.0864500000e-01
+ENERGY -1.526603934013e+02
+FORCES  3.8780000000e-03 -6.3140000000e-03  1.0508900000e-02 -9.5800000000e-04  5.8087000000e-03 -7.3611000000e-03 -2.3139000000e-03 -1.3250000000e-03  1.0790000000e-03 -1.7495000000e-03 -2.1578000000e-03 -3.2492000000e-03  3.4822000000e-03  5.0470000000e-04 -3.2605000000e-03 -2.3388000000e-03  3.4833000000e-03  2.2829000000e-03
+
+JOB 16
+COORDS -9.0136700000e-01 -2.2418200000e-01  1.0739930000e+00 -5.5174400000e-01  5.4143000000e-02  2.2751200000e-01 -1.8389660000e+00 -3.4006600000e-01  9.2001000000e-01  8.7284800000e-01  2.4595100000e-01 -1.0132490000e+00  1.0563130000e+00 -5.3944100000e-01 -1.5287420000e+00  1.7142680000e+00  4.7651300000e-01 -6.1944100000e-01
+ENERGY -1.526610884813e+02
+FORCES  5.2145000000e-03  2.6051000000e-03 -9.0459000000e-03 -7.9217000000e-03 -1.7531000000e-03  7.3806000000e-03  3.6958000000e-03  2.4610000000e-04 -1.3855000000e-03  3.0433000000e-03 -3.4039000000e-03  3.7547000000e-03 -5.9070000000e-04  3.9129000000e-03  2.3589000000e-03 -3.4412000000e-03 -1.6071000000e-03 -3.0629000000e-03
+
+JOB 17
+COORDS -1.0063590000e+00 -8.7438700000e-01  2.7333700000e-01 -1.1118510000e+00 -1.7556810000e+00  6.3170100000e-01 -1.2352400000e+00 -9.6256600000e-01 -6.5190300000e-01  1.0720400000e+00  9.6010300000e-01 -2.1066400000e-01  7.6359500000e-01  8.9916000000e-02  4.2060000000e-02  5.4388400000e-01  1.1892030000e+00 -9.7538400000e-01
+ENERGY -1.526569352519e+02
+FORCES -2.2724000000e-03 -1.5273000000e-03 -2.0964000000e-03  1.2855000000e-03  4.7040000000e-03 -2.1822000000e-03  3.1220000000e-03  1.4037000000e-03  4.4559000000e-03 -1.0567700000e-02 -7.0999000000e-03  1.6289000000e-03  6.8429000000e-03  3.4305000000e-03 -3.0718000000e-03  1.5897000000e-03 -9.1100000000e-04  1.2656000000e-03
+
+JOB 18
+COORDS -5.8585200000e-01  7.0052400000e-01 -1.0262970000e+00  2.4118600000e-01  6.1419400000e-01 -1.5004150000e+00 -7.5544900000e-01  1.6424230000e+00 -1.0091330000e+00  5.9872700000e-01 -7.3061600000e-01  1.0925870000e+00  1.5428700000e-01 -1.5757800000e+00  1.0262270000e+00  1.3204200000e-01 -1.6509100000e-01  4.7726700000e-01
+ENERGY -1.526613561432e+02
+FORCES  2.3516000000e-03  2.7728000000e-03 -1.6318000000e-03 -4.4859000000e-03  3.1450000000e-04  4.6919000000e-03  1.7077000000e-03 -4.8497000000e-03 -3.9960000000e-04 -8.6038000000e-03  4.1842000000e-03 -7.9218000000e-03  1.5154000000e-03  2.4598000000e-03 -2.4130000000e-04  7.5151000000e-03 -4.8816000000e-03  5.5026000000e-03
+
+JOB 19
+COORDS -6.3348400000e-01  5.8128700000e-01 -1.1679510000e+00 -4.7885800000e-01  3.2702300000e-01 -2.5818600000e-01 -7.6412000000e-02  1.3482690000e+00 -1.3007740000e+00  5.5096900000e-01 -5.5951600000e-01  1.0948060000e+00  1.2119690000e+00 -1.0819350000e+00  6.4050600000e-01  4.7613100000e-01 -9.6548900000e-01  1.9584130000e+00
+ENERGY -1.526610810953e+02
+FORCES  4.5207000000e-03 -1.2698000000e-03  9.8744000000e-03 -2.9305000000e-03  3.3528000000e-03 -7.7351000000e-03 -1.1361000000e-03 -2.7257000000e-03  2.5870000000e-04  8.5030000000e-04 -2.7667000000e-03 -1.8013000000e-03 -2.7271000000e-03  2.3560000000e-03  3.7688000000e-03  1.4227000000e-03  1.0534000000e-03 -4.3655000000e-03
+
+JOB 20
+COORDS  7.4544100000e-01  8.6520800000e-01  9.0564900000e-01  1.9503000000e-01  4.2578000000e-01  2.5743500000e-01  1.2255000000e+00  1.5599200000e-01  1.3331850000e+00 -7.6084500000e-01 -7.3438700000e-01 -8.7167300000e-01  2.5331000000e-02 -9.5351100000e-01 -1.3718160000e+00 -1.2150170000e+00 -1.5695940000e+00 -7.6036400000e-01
+ENERGY -1.526592974033e+02
+FORCES -7.1370000000e-03 -8.7785000000e-03 -4.5427000000e-03  8.1643000000e-03  5.0193000000e-03  1.6417000000e-03 -9.8630000000e-04  1.8225000000e-03 -1.7016000000e-03  1.4740000000e-04 -3.4119000000e-03  1.0210000000e-03 -3.3334000000e-03  2.0294000000e-03  5.3671000000e-03  3.1451000000e-03  3.3191000000e-03 -1.7856000000e-03
+
+JOB 21
+COORDS -2.4098300000e-01 -4.6179700000e-01 -1.3728270000e+00 -1.1227710000e+00 -8.9534000000e-02 -1.3627190000e+00  2.0138800000e-01 -5.1195000000e-02 -6.2989600000e-01  2.2023200000e-01  3.8820400000e-01  1.2867210000e+00  1.5183900000e-01  1.2466320000e+00  1.7046390000e+00  1.0597760000e+00  4.0843000000e-02  1.5879460000e+00
+ENERGY -1.526592713208e+02
+FORCES -1.9099000000e-03  5.3231000000e-03  1.2051900000e-02  2.0269000000e-03 -9.3690000000e-04 -1.4081000000e-03  2.3894000000e-03 -3.1300000000e-03 -7.7029000000e-03  1.2988000000e-03  7.2610000000e-04  2.1106000000e-03  3.5900000000e-04 -4.5841000000e-03 -1.9708000000e-03 -4.1641000000e-03  2.6019000000e-03 -3.0808000000e-03
+
+JOB 22
+COORDS -7.0510000000e-02  1.5147600000e-01 -1.4263140000e+00 -5.2682900000e-01  8.5327500000e-01 -1.8905160000e+00 -3.9388300000e-01  2.0860400000e-01 -5.2720400000e-01  1.6968500000e-01 -2.2463300000e-01  1.3788430000e+00 -9.4800000000e-03  7.1340100000e-01  1.4438230000e+00 -6.2090500000e-01 -6.4404800000e-01  1.7183870000e+00
+ENERGY -1.526547619333e+02
+FORCES -2.7290000000e-04 -1.2681000000e-03  7.6025000000e-03  1.6436000000e-03 -2.2507000000e-03  4.1298000000e-03 -3.3554000000e-03  5.2991000000e-03 -6.4401000000e-03 -2.9090000000e-04  8.8530000000e-04  3.6181000000e-03 -1.3067000000e-03 -5.7329000000e-03 -4.9911000000e-03  3.5823000000e-03  3.0673000000e-03 -3.9192000000e-03
+
+JOB 23
+COORDS  5.3392300000e-01 -1.2268700000e+00  5.7001700000e-01  1.4784520000e+00 -1.3264260000e+00  4.5092000000e-01  3.6424000000e-01 -3.0387100000e-01  3.8157100000e-01 -5.8245000000e-01  1.1444760000e+00 -4.9416700000e-01 -7.8687000000e-01  8.2642700000e-01 -1.3735350000e+00 -3.5439800000e-01  2.0656760000e+00 -6.1913100000e-01
+ENERGY -1.526610818536e+02
+FORCES -1.2056000000e-03  9.3517000000e-03 -2.6798000000e-03 -3.1233000000e-03  1.2719000000e-03 -2.2070000000e-04  4.3981000000e-03 -9.0178000000e-03  2.7835000000e-03 -8.3470000000e-04  1.7630000000e-04 -3.7803000000e-03  1.6601000000e-03  2.9218000000e-03  4.1821000000e-03 -8.9460000000e-04 -4.7038000000e-03 -2.8480000000e-04
+
+JOB 24
+COORDS  1.3614500000e-01  5.1492900000e-01  1.2634250000e+00  4.0527500000e-01  1.4193400000e-01  2.1028750000e+00  6.4091200000e-01  1.3246920000e+00  1.1877490000e+00 -1.3317800000e-01 -5.5518000000e-01 -1.3558480000e+00 -1.0530900000e+00 -3.2215900000e-01 -1.4811300000e+00 -6.1430000000e-03 -5.2959700000e-01 -4.0746000000e-01
+ENERGY -1.526609335781e+02
+FORCES  3.0741000000e-03  3.2535000000e-03 -5.8600000000e-05 -8.6940000000e-04  1.8225000000e-03 -4.5432000000e-03 -2.4150000000e-03 -3.9447000000e-03  2.0805000000e-03 -2.2229000000e-03  4.1482000000e-03  1.0625900000e-02  2.6753000000e-03 -6.0020000000e-04 -2.1010000000e-04 -2.4220000000e-04 -4.6792000000e-03 -7.8945000000e-03
+
+JOB 25
+COORDS -4.3660400000e-01  7.4119000000e-01 -1.0991440000e+00 -7.9781000000e-02  1.5653500000e-01 -1.7677910000e+00 -6.0640000000e-03  1.5808290000e+00 -1.2600010000e+00  3.4057800000e-01 -7.8749500000e-01  1.1836870000e+00  1.2840650000e+00 -8.1936200000e-01  1.3419540000e+00  2.4956700000e-01 -2.8055100000e-01  3.7686800000e-01
+ENERGY -1.526596564016e+02
+FORCES  5.9570000000e-04  2.5865000000e-03 -3.6246000000e-03 -1.0690000000e-04  2.7070000000e-03  6.2222000000e-03 -1.4479000000e-03 -5.0988000000e-03  6.8920000000e-04 -1.4255000000e-03  6.8228000000e-03 -7.5383000000e-03 -3.0883000000e-03  9.6250000000e-04 -1.9199000000e-03  5.4729000000e-03 -7.9800000000e-03  6.1714000000e-03
+
+JOB 26
+COORDS  1.9065000000e-02  1.3979800000e+00 -4.4260400000e-01 -5.1250200000e-01  1.5820150000e+00 -1.2170710000e+00 -1.0000000000e-05  4.4458900000e-01 -3.5945300000e-01  3.1594000000e-02 -1.3254670000e+00  5.5016200000e-01  6.2572100000e-01 -1.6965780000e+00 -1.0215900000e-01 -8.3861100000e-01 -1.4178470000e+00  1.6229500000e-01
+ENERGY -1.526565662913e+02
+FORCES -2.7640000000e-04 -8.0286000000e-03  2.5791000000e-03  1.5009000000e-03 -2.8423000000e-03  3.2061000000e-03 -2.2058000000e-03  6.6208000000e-03 -7.5318000000e-03 -1.0163000000e-03 -4.8552000000e-03 -5.1960000000e-04 -4.1218000000e-03  4.8875000000e-03  2.3593000000e-03  6.1194000000e-03  4.2178000000e-03 -9.3200000000e-05
+
+JOB 27
+COORDS  1.2687840000e+00 -7.7545000000e-01 -5.4303000000e-02  5.5544800000e-01 -1.6646600000e-01  1.3680800000e-01  9.1080500000e-01 -1.6379460000e+00  1.5589600000e-01 -1.1470710000e+00  8.1405600000e-01  2.3749000000e-02 -1.7563380000e+00  5.6439300000e-01 -6.7101300000e-01 -1.6225320000e+00  6.3620400000e-01  8.3525200000e-01
+ENERGY -1.526602628582e+02
+FORCES -1.0170600000e-02  4.2252000000e-03  6.9810000000e-04  8.3222000000e-03 -5.8031000000e-03  1.9320000000e-03  6.2590000000e-04  2.6309000000e-03 -5.6580000000e-04 -4.2159000000e-03 -1.5391000000e-03 -2.1459000000e-03  2.0266000000e-03  1.1337000000e-03  4.4545000000e-03  3.4118000000e-03 -6.4770000000e-04 -4.3729000000e-03
+
+JOB 28
+COORDS -1.4141770000e+00 -1.7965000000e-01 -4.4901100000e-01 -4.6819300000e-01 -7.9884000000e-02 -3.4227000000e-01 -1.6404960000e+00 -9.2762800000e-01  1.0374600000e-01  1.3832320000e+00  2.7496200000e-01  3.6737700000e-01  9.5014000000e-01  2.6577600000e-01  1.2209460000e+00  1.6430880000e+00 -6.3447700000e-01  2.2031500000e-01
+ENERGY -1.526579787022e+02
+FORCES  8.7401000000e-03  2.3700000000e-04  1.9647000000e-03 -9.2853000000e-03 -4.4456000000e-03  5.1580000000e-04  2.2993000000e-03  2.8767000000e-03 -1.0921000000e-03  2.6497000000e-03 -1.9362000000e-03  5.0922000000e-03  2.2710000000e-04 -1.5101000000e-03 -6.5752000000e-03 -4.6309000000e-03  4.7782000000e-03  9.4600000000e-05
+
+JOB 29
+COORDS -1.0189720000e+00  8.4779400000e-01 -5.6772700000e-01 -5.1056000000e-01  1.1347880000e+00 -1.3262670000e+00 -9.2865300000e-01  1.5601850000e+00  6.5182000000e-02  9.8147100000e-01 -9.5648800000e-01  6.1235800000e-01  1.7522960000e+00 -5.4990100000e-01  2.1644400000e-01  2.5391200000e-01 -3.8806800000e-01  3.5979800000e-01
+ENERGY -1.526594038502e+02
+FORCES  3.6480000000e-04  5.0653000000e-03 -2.9021000000e-03 -1.3960000000e-03 -1.6955000000e-03  5.0582000000e-03  1.5574000000e-03 -5.4986000000e-03 -2.9116000000e-03 -5.9428000000e-03  6.6022000000e-03 -5.7029000000e-03 -2.7086000000e-03 -6.5420000000e-04  8.8300000000e-04  8.1253000000e-03 -3.8192000000e-03  5.5754000000e-03
+
+JOB 30
+COORDS  1.9879800000e-01  9.5429200000e-01  1.1658240000e+00  1.0995040000e+00  7.0011700000e-01  9.6493800000e-01 -3.2637000000e-01  5.3652100000e-01  4.8325700000e-01 -2.1919200000e-01 -8.8299600000e-01 -1.0571030000e+00  4.9304000000e-01 -1.3466450000e+00 -1.4975420000e+00 -9.7114600000e-01 -9.8913200000e-01 -1.6397970000e+00
+ENERGY -1.526589407159e+02
+FORCES  1.1996000000e-03 -7.7121000000e-03 -8.9441000000e-03 -1.1408000000e-03  1.5648000000e-03  1.8716000000e-03 -1.8174000000e-03  5.2307000000e-03  5.1053000000e-03  1.6382000000e-03 -1.7876000000e-03 -2.4928000000e-03 -3.5572000000e-03  1.9340000000e-03  1.4725000000e-03  3.6776000000e-03  7.7030000000e-04  2.9875000000e-03
+
+JOB 31
+COORDS -4.6313700000e-01  1.0302680000e+00 -8.2653600000e-01 -4.9497300000e-01  1.0157400000e+00 -1.7830960000e+00 -3.8216700000e-01  1.9575120000e+00 -6.0316500000e-01  4.6547700000e-01 -1.0855840000e+00  9.3623600000e-01  7.9355000000e-01 -1.6864560000e+00  2.6724200000e-01  2.4573000000e-02 -3.9421700000e-01  4.4242700000e-01
+ENERGY -1.526608909609e+02
+FORCES  1.3195000000e-03  2.1463000000e-03 -1.8361000000e-03  3.5430000000e-04  1.0452000000e-03  4.2603000000e-03 -6.3360000000e-04 -4.1615000000e-03 -2.1495000000e-03 -2.4136000000e-03  5.8071000000e-03 -8.6387000000e-03 -8.9370000000e-04  1.3654000000e-03  1.8414000000e-03  2.2671000000e-03 -6.2025000000e-03  6.5226000000e-03
+
+JOB 32
+COORDS  5.5958800000e-01  1.0640280000e+00  7.3030200000e-01  7.5075300000e-01  1.9252030000e+00  3.5873200000e-01  1.1932990000e+00  9.6305600000e-01  1.4405460000e+00 -6.4383100000e-01 -1.1356560000e+00 -7.0279600000e-01 -6.2499700000e-01 -1.2794610000e+00 -1.6489450000e+00  1.1949000000e-02 -4.5525200000e-01 -5.5036700000e-01
+ENERGY -1.526595379416e+02
+FORCES  1.7925000000e-03  2.7449000000e-03  3.2999000000e-03 -4.6550000000e-04 -4.6418000000e-03  1.3712000000e-03 -2.7975000000e-03  1.3173000000e-03 -3.6608000000e-03  4.0757000000e-03  6.1828000000e-03  1.9093000000e-03  5.3400000000e-04  1.7928000000e-03  3.3731000000e-03 -3.1392000000e-03 -7.3960000000e-03 -6.2928000000e-03
+
+JOB 33
+COORDS -1.0182300000e-01 -2.7661900000e-01 -1.4081230000e+00  6.7364000000e-01 -7.4604600000e-01 -1.1006700000e+00 -4.3120400000e-01 -8.0672200000e-01 -2.1338850000e+00  1.4077300000e-01  3.5654600000e-01  1.4236000000e+00 -3.8657300000e-01  3.6338400000e-01  2.2224060000e+00 -4.3772800000e-01 -1.4406000000e-02  7.5729500000e-01
+ENERGY -1.526594426489e+02
+FORCES  4.0168000000e-03 -2.7484000000e-03 -3.2501000000e-03 -5.9310000000e-03  1.3923000000e-03 -1.2346000000e-03  1.8312000000e-03  2.2010000000e-03  3.4179000000e-03 -4.9848000000e-03 -3.3290000000e-04 -3.3373000000e-03  1.1852000000e-03 -2.3100000000e-04 -3.6221000000e-03  3.8826000000e-03 -2.8110000000e-04  8.0262000000e-03
+
+JOB 34
+COORDS -1.0817300000e+00 -1.6036200000e-01 -1.0584210000e+00 -5.4384700000e-01 -8.7587000000e-02 -1.8468480000e+00 -4.5010400000e-01 -2.2989200000e-01 -3.4256800000e-01  9.7222800000e-01  2.0068700000e-01  1.0265160000e+00  6.9659700000e-01 -2.8184300000e-01  1.8058900000e+00  1.8880650000e+00 -4.8078000000e-02  9.0164800000e-01
+ENERGY -1.526603373593e+02
+FORCES  9.3300000000e-03  2.3146000000e-03  4.5091000000e-03 -1.5715000000e-03 -4.8370000000e-04  2.0625000000e-03 -7.8696000000e-03 -3.3188000000e-03 -5.2724000000e-03  3.7314000000e-03 -1.3295000000e-03  3.1921000000e-03  1.0520000000e-03  1.8066000000e-03 -5.2396000000e-03 -4.6724000000e-03  1.0109000000e-03  7.4830000000e-04
+
+JOB 35
+COORDS  1.2204930000e+00  3.6731000000e-02  7.3481600000e-01  7.8698000000e-01  2.4335000000e-02  1.5881300000e+00  2.1363920000e+00  2.3112200000e-01  9.3374500000e-01 -1.2607900000e+00  1.2737000000e-02 -8.1153400000e-01 -5.6713300000e-01 -3.0423600000e-01 -2.3308800000e-01 -1.7060710000e+00 -7.8051500000e-01 -1.1093710000e+00
+ENERGY -1.526581091780e+02
+FORCES  3.8152000000e-03  2.6010000000e-03  1.9811000000e-03  7.4480000000e-04 -1.2242000000e-03 -5.7064000000e-03 -4.0541000000e-03 -6.3930000000e-04  6.6590000000e-04  6.0775000000e-03 -2.8203000000e-03  1.4463000000e-03 -8.7809000000e-03 -5.2130000000e-04  9.2500000000e-05  2.1975000000e-03  2.6041000000e-03  1.5206000000e-03
+
+JOB 36
+COORDS  5.8112000000e-02 -5.5291600000e-01  1.3139870000e+00 -7.2825900000e-01 -9.2909100000e-01  1.7093900000e+00  7.8153900000e-01 -9.2208500000e-01  1.8205430000e+00 -2.0125000000e-02  6.3099300000e-01 -1.4122630000e+00  3.5030700000e-01  7.9176000000e-02 -7.2341600000e-01 -9.6704500000e-01  5.6682300000e-01 -1.2879330000e+00
+ENERGY -1.526590986169e+02
+FORCES -1.3083000000e-03 -2.0269000000e-03  3.7478000000e-03  3.7680000000e-03  1.7088000000e-03 -1.5677000000e-03 -3.5882000000e-03  1.5436000000e-03 -2.7256000000e-03 -2.5146000000e-03 -4.1023000000e-03  9.6337000000e-03  1.6828000000e-03  2.3109000000e-03 -7.4580000000e-03  1.9602000000e-03  5.6600000000e-04 -1.6303000000e-03
+
+JOB 37
+COORDS -3.7261900000e-01 -8.9804600000e-01 -1.1978760000e+00 -8.9741800000e-01 -1.8375700000e-01 -1.5592760000e+00  1.7508900000e-01 -4.8080200000e-01 -5.3292900000e-01  4.1150000000e-01  8.3729800000e-01  1.1329890000e+00  4.7370700000e-01  4.0580000000e-01  1.9851460000e+00 -4.1042700000e-01  1.3263970000e+00  1.1710800000e+00
+ENERGY -1.526599792697e+02
+FORCES  2.4498000000e-03  7.6354000000e-03  5.6230000000e-03  8.5400000000e-04 -2.2080000000e-03  1.2447000000e-03 -2.5509000000e-03 -5.6643000000e-03 -6.8352000000e-03 -4.0837000000e-03  4.1410000000e-04  4.8169000000e-03 -5.4340000000e-04  2.2396000000e-03 -4.1172000000e-03  3.8741000000e-03 -2.4167000000e-03 -7.3220000000e-04
+
+JOB 38
+COORDS  3.8903400000e-01  1.0920870000e+00  8.5291300000e-01  5.5609200000e-01  1.9100430000e+00  3.8464700000e-01  8.0375700000e-01  1.2153530000e+00  1.7067530000e+00 -3.9554500000e-01 -1.2060230000e+00 -8.9880500000e-01 -1.2636510000e+00 -8.4553600000e-01 -1.0795650000e+00  2.3340000000e-03 -5.8114700000e-01 -2.9262500000e-01
+ENERGY -1.526613955060e+02
+FORCES  2.4617000000e-03  3.6266000000e-03  1.8977000000e-03 -8.6390000000e-04 -3.6445000000e-03  2.8480000000e-03 -1.7489000000e-03  6.0490000000e-04 -4.1852000000e-03 -4.1150000000e-04  7.5753000000e-03  5.6663000000e-03  2.4787000000e-03 -1.2422000000e-03 -2.6520000000e-04 -1.9161000000e-03 -6.9200000000e-03 -5.9616000000e-03
+
+JOB 39
+COORDS -9.3279000000e-01 -6.5830500000e-01 -1.0492250000e+00 -1.5484960000e+00  4.5140000000e-02 -1.2549000000e+00 -1.6176400000e-01 -2.0883600000e-01 -7.0320600000e-01  9.2903500000e-01  5.3071800000e-01  1.0112330000e+00  1.3560500000e-01  8.9361800000e-01  1.4049400000e+00  1.5946890000e+00  1.2048640000e+00  1.1478490000e+00
+ENERGY -1.526595325882e+02
+FORCES  4.7817000000e-03  4.7401000000e-03  2.4574000000e-03  2.1569000000e-03 -2.0595000000e-03  1.7547000000e-03 -7.5449000000e-03 -2.5049000000e-03 -5.1214000000e-03  3.4030000000e-04  3.5413000000e-03  4.8556000000e-03  4.0200000000e-03 -8.4980000000e-04 -3.5829000000e-03 -3.7540000000e-03 -2.8672000000e-03 -3.6330000000e-04
+
+JOB 40
+COORDS  1.0882830000e+00 -1.0258550000e+00  2.4948000000e-02  1.1414040000e+00 -1.1463120000e+00 -9.2315500000e-01  7.2702000000e-01 -1.8498470000e+00  3.5168600000e-01 -1.1074930000e+00  1.0959180000e+00 -4.8275000000e-02 -1.3073530000e+00  1.3758080000e+00  8.4500500000e-01 -3.3748000000e-01  5.3463900000e-01  4.2709000000e-02
+ENERGY -1.526614762401e+02
+FORCES  6.9000000000e-05 -6.4267000000e-03 -2.7238000000e-03 -1.1167000000e-03  1.1242000000e-03  5.1909000000e-03  1.8667000000e-03  4.0034000000e-03 -1.7249000000e-03  6.2713000000e-03 -4.2311000000e-03  3.9761000000e-03  5.5530000000e-04 -1.3269000000e-03 -2.7147000000e-03 -7.6456000000e-03  6.8571000000e-03 -2.0036000000e-03
+
+JOB 41
+COORDS  2.8158000000e-01 -3.1704700000e-01 -1.4228750000e+00  1.0873230000e+00  1.0549300000e-01 -1.7203140000e+00  2.8491100000e-01 -1.1711860000e+00 -1.8549270000e+00 -2.8967500000e-01  3.7547000000e-01  1.5083700000e+00 -1.0848600000e+00 -1.3889200000e-01  1.6474590000e+00 -9.1701000000e-02  2.6455400000e-01  5.7845800000e-01
+ENERGY -1.526610380555e+02
+FORCES  3.2182000000e-03 -3.1391000000e-03 -3.7137000000e-03 -3.9098000000e-03 -2.3513000000e-03  1.7371000000e-03  4.1850000000e-04  4.1983000000e-03  1.0502000000e-03 -1.6504000000e-03 -3.7695000000e-03 -7.9830000000e-03  2.3862000000e-03  1.3894000000e-03  9.4400000000e-05 -4.6270000000e-04  3.6723000000e-03  8.8149000000e-03
+
+JOB 42
+COORDS -1.4074940000e+00 -5.8875900000e-01 -1.5102100000e-01 -1.1729490000e+00 -3.9892700000e-01 -1.0594170000e+00 -1.9810110000e+00  1.3366200000e-01  1.0474700000e-01  1.4811090000e+00  5.6583500000e-01  2.0627000000e-01  7.0993700000e-01  8.9747800000e-01 -2.5366400000e-01  1.3000490000e+00 -3.6476800000e-01  3.3828200000e-01
+ENERGY -1.526554563446e+02
+FORCES -3.4873000000e-03  2.8443000000e-03 -1.8277000000e-03  1.3261000000e-03  6.4960000000e-04  5.4497000000e-03  3.4876000000e-03 -2.8621000000e-03 -1.8600000000e-03 -8.1741000000e-03 -4.9885000000e-03  6.4830000000e-04  2.8510000000e-03  1.2089000000e-03 -1.2566000000e-03  3.9968000000e-03  3.1478000000e-03 -1.1537000000e-03
+
+JOB 43
+COORDS -1.2775400000e-01 -4.8197600000e-01 -1.5108440000e+00 -3.6053800000e-01  4.2671200000e-01 -1.3202420000e+00  6.7518600000e-01 -6.3364800000e-01 -1.0123310000e+00  7.5390000000e-02  4.8425900000e-01  1.5165860000e+00  9.6269000000e-01  2.0711500000e-01  1.2882860000e+00 -4.9399700000e-01 -7.1282000000e-02  9.8422900000e-01
+ENERGY -1.526548684778e+02
+FORCES  3.6561000000e-03  5.2324000000e-03  1.0105000000e-03  2.0400000000e-05 -5.6142000000e-03 -1.9960000000e-04 -3.9166000000e-03  2.4500000000e-05  6.1470000000e-04  3.7780000000e-04 -5.2693000000e-03 -2.5056000000e-03 -3.6175000000e-03  1.1802000000e-03 -1.2932000000e-03  3.4798000000e-03  4.4464000000e-03  2.3732000000e-03
+
+JOB 44
+COORDS -1.1044160000e+00  6.3150800000e-01 -9.4340300000e-01 -1.9248590000e+00  1.4363700000e-01 -8.7207900000e-01 -6.6305300000e-01  4.8237400000e-01 -1.0722800000e-01  1.0816190000e+00 -6.2782200000e-01  8.5281400000e-01  9.5769000000e-01 -3.5832200000e-01  1.7628930000e+00  1.9677520000e+00 -3.3846900000e-01  6.3538400000e-01
+ENERGY -1.526583022173e+02
+FORCES  2.6089000000e-03 -5.3427000000e-03  4.9191000000e-03  2.7540000000e-03  1.8096000000e-03  8.2400000000e-05 -6.6960000000e-03  4.8386000000e-03 -3.0208000000e-03  6.5446000000e-03  3.2150000000e-04  1.4159000000e-03 -1.2121000000e-03 -1.3480000000e-04 -5.4451000000e-03 -3.9995000000e-03 -1.4922000000e-03  2.0484000000e-03
+
+JOB 45
+COORDS -1.6497700000e-01 -1.2595160000e+00 -9.7773700000e-01 -2.7046600000e-01 -3.1668700000e-01 -8.5054700000e-01 -1.0475100000e+00 -1.5758490000e+00 -1.1708730000e+00  1.7400000000e-01  1.2358800000e+00  9.4783200000e-01  2.3041300000e-01  9.0669800000e-01  1.8448770000e+00  1.0840850000e+00  1.3013340000e+00  6.5853800000e-01
+ENERGY -1.526586282726e+02
+FORCES -4.1033000000e-03  5.0243000000e-03  2.3155000000e-03  1.3417000000e-03 -5.7982000000e-03 -5.2196000000e-03  3.0796000000e-03  1.1099000000e-03  9.2730000000e-04  4.4207000000e-03 -2.3196000000e-03  5.0916000000e-03  7.4900000000e-05  2.5374000000e-03 -3.3459000000e-03 -4.8137000000e-03 -5.5380000000e-04  2.3120000000e-04
+
+JOB 46
+COORDS  4.4034900000e-01  1.3787960000e+00  5.1677700000e-01 -3.9296600000e-01  1.8475140000e+00  5.6283500000e-01  1.0846070000e+00  2.0009040000e+00  8.5463200000e-01 -4.3801100000e-01 -1.4760590000e+00 -5.8872600000e-01  2.2923400000e-01 -8.1118300000e-01 -4.1856200000e-01 -9.9763500000e-01 -1.4586420000e+00  1.8764400000e-01
+ENERGY -1.526594643542e+02
+FORCES -8.8600000000e-04  5.7891000000e-03  1.3819000000e-03  3.9518000000e-03 -1.9268000000e-03  6.0870000000e-04 -3.3127000000e-03 -2.3307000000e-03 -1.4171000000e-03  2.1165000000e-03  5.7967000000e-03  5.1227000000e-03 -2.5697000000e-03 -6.6516000000e-03 -2.7509000000e-03  7.0000000000e-04 -6.7680000000e-04 -2.9454000000e-03
+
+JOB 47
+COORDS  2.8837700000e-01  8.5509200000e-01 -1.3125020000e+00 -2.4629500000e-01  9.1579000000e-02 -1.0947750000e+00  5.3221100000e-01  7.2391700000e-01 -2.2287820000e+00 -3.2611300000e-01 -7.7051300000e-01  1.3771290000e+00 -1.8330900000e-01 -1.7060300000e+00  1.2334390000e+00  5.1015200000e-01 -3.6275300000e-01  1.1521290000e+00
+ENERGY -1.526580149385e+02
+FORCES -3.3784000000e-03 -2.8575000000e-03 -2.5021000000e-03  5.0183000000e-03  3.2665000000e-03 -3.2502000000e-03 -1.2323000000e-03 -1.3350000000e-04  4.0018000000e-03  5.5371000000e-03 -8.8230000000e-04  1.5484000000e-03 -9.7510000000e-04  4.3536000000e-03 -8.3110000000e-04 -4.9697000000e-03 -3.7468000000e-03  1.0332000000e-03
+
+JOB 48
+COORDS  4.9896800000e-01  1.5033400000e+00  1.5744000000e-01  1.2666470000e+00  1.9323690000e+00  5.3537500000e-01  7.8229500000e-01  1.2293450000e+00 -7.1484800000e-01 -5.7929800000e-01 -1.5774340000e+00 -1.2418700000e-01  1.6961200000e-01 -1.2088370000e+00  3.4432400000e-01 -8.4068500000e-01 -8.9034900000e-01 -7.3723100000e-01
+ENERGY -1.526558371692e+02
+FORCES  4.5411000000e-03  3.4923000000e-03 -1.8178000000e-03 -3.3876000000e-03 -2.4580000000e-03 -1.7381000000e-03 -2.4539000000e-03 -7.7340000000e-04  4.4553000000e-03  1.2388000000e-03  7.4951000000e-03  1.8627000000e-03 -1.5465000000e-03 -4.4119000000e-03 -2.8070000000e-03  1.6081000000e-03 -3.3441000000e-03  4.4900000000e-05
+
+JOB 49
+COORDS  3.2931000000e-02 -1.4668230000e+00  7.3351900000e-01  6.3798300000e-01 -7.6091200000e-01  9.6119100000e-01  4.6521700000e-01 -1.9317030000e+00  1.7106000000e-02 -4.0760000000e-02  1.4729730000e+00 -6.9308800000e-01 -3.2955700000e-01  6.6360700000e-01 -1.1146980000e+00 -8.5178900000e-01  1.9218270000e+00 -4.5435600000e-01
+ENERGY -1.526573229836e+02
+FORCES  5.3877000000e-03  2.3603000000e-03 -2.4900000000e-04 -2.4149000000e-03 -5.2488000000e-03 -4.4970000000e-04 -2.6229000000e-03  2.7109000000e-03  1.9183000000e-03 -6.3583000000e-03 -2.5930000000e-03 -2.3240000000e-04  2.6106000000e-03  4.1382000000e-03  1.7570000000e-04  3.3979000000e-03 -1.3676000000e-03 -1.1630000000e-03
+
+JOB 50
+COORDS  4.1352300000e-01  8.8195100000e-01  1.2964740000e+00  3.3455500000e-01  1.2083500000e+00  4.0011500000e-01  1.0558160000e+00  1.4608950000e+00  1.7069800000e+00 -4.2308700000e-01 -9.9275300000e-01 -1.2473580000e+00 -1.3379620000e+00 -7.1156900000e-01 -1.2342870000e+00  5.0620000000e-02 -2.5094500000e-01 -1.6235960000e+00
+ENERGY -1.526515184660e+02
+FORCES  2.1380000000e-03  2.3223000000e-03 -2.4336000000e-03  2.1690000000e-04  1.7300000000e-05  2.4937000000e-03 -2.7060000000e-03 -2.9040000000e-03 -2.0587000000e-03 -1.9564000000e-03  2.7312000000e-03 -4.5850000000e-04  4.2991000000e-03 -6.7960000000e-04 -4.5750000000e-04 -1.9916000000e-03 -1.4872000000e-03  2.9146000000e-03
+
+JOB 51
+COORDS -1.3955500000e+00  7.2978900000e-01 -3.4143100000e-01 -2.2508750000e+00  3.0801200000e-01 -4.2361900000e-01 -1.3360210000e+00  1.3026800000e+00 -1.1059460000e+00  1.4714960000e+00 -7.8900800000e-01  4.3125900000e-01  1.9068100000e+00 -2.3082100000e-01 -2.1307100000e-01  5.5295700000e-01 -5.2168200000e-01  3.9879200000e-01
+ENERGY -1.526594866794e+02
+FORCES -5.0498000000e-03  1.7955000000e-03 -4.1022000000e-03  3.8881000000e-03  2.1266000000e-03  1.0830000000e-04 -3.2730000000e-04 -2.6904000000e-03  3.2988000000e-03 -4.8509000000e-03  4.9389000000e-03 -3.0878000000e-03 -6.4740000000e-04 -2.0239000000e-03  1.9572000000e-03  6.9873000000e-03 -4.1468000000e-03  1.8257000000e-03
+
+JOB 52
+COORDS -1.0631100000e+00 -3.4360800000e-01 -1.2410270000e+00 -1.5408190000e+00  2.5974600000e-01 -1.8102290000e+00 -1.6383700000e-01 -1.5695000000e-02 -1.2445880000e+00  1.0008210000e+00  2.4533100000e-01  1.2317010000e+00  6.9433800000e-01  7.2632700000e-01  2.0004290000e+00  1.9197830000e+00  4.9751700000e-01  1.1414600000e+00
+ENERGY -1.526551870270e+02
+FORCES  3.6657000000e-03  3.8077000000e-03  2.3100000000e-04  1.8290000000e-03 -2.1193000000e-03  2.5501000000e-03 -4.2060000000e-03 -1.4505000000e-03 -4.0542000000e-03  1.0231000000e-03  2.6263000000e-03  5.2094000000e-03  2.1532000000e-03 -1.8682000000e-03 -3.0178000000e-03 -4.4650000000e-03 -9.9600000000e-04 -9.1860000000e-04
+
+JOB 53
+COORDS  1.0956110000e+00  9.3102000000e-02 -1.2012770000e+00  4.5278100000e-01 -2.5531600000e-01 -1.8190200000e+00  1.6348460000e+00  6.8582800000e-01 -1.7248540000e+00 -1.1425110000e+00 -1.0725600000e-01  1.2408830000e+00 -9.4173400000e-01 -2.7319700000e-01  2.1619610000e+00 -2.9116300000e-01  5.7668000000e-02  8.3562000000e-01
+ENERGY -1.526598449442e+02
+FORCES  3.4600000000e-04  1.1968000000e-03 -6.5913000000e-03  3.4353000000e-03  1.9418000000e-03  2.6705000000e-03 -2.3268000000e-03 -2.9008000000e-03  1.6214000000e-03  5.7674000000e-03  3.9400000000e-04  4.2630000000e-04 -5.4370000000e-04  7.3480000000e-04 -3.2946000000e-03 -6.6782000000e-03 -1.3666000000e-03  5.1678000000e-03
+
+JOB 54
+COORDS  1.1573900000e+00  7.0981000000e-02 -1.2269350000e+00  6.1977200000e-01 -6.6407200000e-01 -9.3215100000e-01  1.5665070000e+00 -2.3964600000e-01 -2.0346260000e+00 -1.1054230000e+00 -5.4082000000e-02  1.2301020000e+00 -1.9523950000e+00  1.1398100000e-01  8.1703500000e-01 -1.1359580000e+00  4.3950500000e-01  2.0496580000e+00
+ENERGY -1.526558547991e+02
+FORCES -1.4682000000e-03 -4.4629000000e-03  1.9280000000e-04  3.4579000000e-03  2.1071000000e-03 -4.4645000000e-03 -1.9238000000e-03  1.3251000000e-03  3.3373000000e-03 -2.8883000000e-03  4.6106000000e-03  2.4633000000e-03  3.4950000000e-03 -1.3892000000e-03  1.5692000000e-03 -6.7250000000e-04 -2.1907000000e-03 -3.0980000000e-03
+
+JOB 55
+COORDS -1.2548890000e+00 -9.2789600000e-01  8.2471400000e-01 -1.0180900000e+00 -5.5010200000e-01  1.6717260000e+00 -6.2910900000e-01 -5.4697500000e-01  2.0865500000e-01  1.1568360000e+00  8.4830100000e-01 -8.3425200000e-01  1.4460190000e+00  1.3997600000e+00 -1.5612310000e+00  1.7987030000e+00  1.0074440000e+00 -1.4221800000e-01
+ENERGY -1.526587642714e+02
+FORCES  4.4559000000e-03  4.3905000000e-03 -1.1720000000e-03 -6.7570000000e-04 -1.5406000000e-03 -2.5871000000e-03 -4.8345000000e-03 -4.1455000000e-03  5.1597000000e-03  4.7974000000e-03  4.1807000000e-03 -2.2995000000e-03 -3.4380000000e-04 -2.0732000000e-03  3.5738000000e-03 -3.3993000000e-03 -8.1200000000e-04 -2.6749000000e-03
+
+JOB 56
+COORDS  1.0907140000e+00  5.2922000000e-02 -1.3726190000e+00  5.5694200000e-01  7.6392100000e-01 -1.0179370000e+00  5.5845700000e-01 -3.1888700000e-01 -2.0759640000e+00 -1.0110220000e+00 -1.0075700000e-01  1.4527080000e+00 -1.8063180000e+00 -2.4868300000e-01  9.4099200000e-01 -4.9742900000e-01  5.1190200000e-01  9.2630200000e-01
+ENERGY -1.526510865383e+02
+FORCES -4.0904000000e-03  3.3320000000e-04 -2.5264000000e-03  8.3250000000e-04 -3.3357000000e-03  1.6334000000e-03  2.3483000000e-03  1.9003000000e-03  3.1134000000e-03  2.8400000000e-05  4.3150000000e-04 -4.4194000000e-03  3.4240000000e-03  9.7850000000e-04  1.8858000000e-03 -2.5428000000e-03 -3.0780000000e-04  3.1330000000e-04
+
+JOB 57
+COORDS -1.2961090000e+00 -1.1847240000e+00  1.2247200000e-01 -1.0491430000e+00 -1.3130150000e+00 -7.9337700000e-01 -8.6407000000e-01 -1.8996020000e+00  5.8993700000e-01  1.2358010000e+00  1.2143630000e+00 -4.5063000000e-02  1.0378480000e+00  8.6252600000e-01 -9.1296600000e-01  1.8583110000e+00  1.9226530000e+00 -2.0949900000e-01
+ENERGY -1.526524713094e+02
+FORCES  3.3873000000e-03 -3.1385000000e-03 -4.2310000000e-04 -4.2730000000e-04  1.3466000000e-03  3.1929000000e-03 -2.3064000000e-03  2.4368000000e-03 -2.2504000000e-03  6.1390000000e-04  1.4809000000e-03 -4.2518000000e-03  1.5349000000e-03  9.9920000000e-04  2.7697000000e-03 -2.8024000000e-03 -3.1250000000e-03  9.6270000000e-04
+
+JOB 58
+COORDS -7.4602600000e-01 -1.5299420000e+00  3.4752300000e-01 -8.6998800000e-01 -2.0498000000e+00  1.1416350000e+00 -1.5113850000e+00 -9.5603800000e-01  3.1447700000e-01  8.1330500000e-01  1.5603310000e+00 -3.3289900000e-01  1.3937250000e+00  1.2766380000e+00 -1.0392020000e+00 -6.0191000000e-02  1.2915960000e+00 -6.1753600000e-01
+ENERGY -1.526535478604e+02
+FORCES -2.9008000000e-03  3.7200000000e-05  4.7939000000e-03  2.8230000000e-04  1.8609000000e-03 -3.5035000000e-03  3.5364000000e-03 -1.3663000000e-03 -1.1273000000e-03 -8.9030000000e-04 -5.1105000000e-03 -3.6907000000e-03 -1.9702000000e-03  2.1301000000e-03  2.4827000000e-03  1.9427000000e-03  2.4487000000e-03  1.0450000000e-03
+
+JOB 59
+COORDS -3.2895200000e-01  1.7109390000e+00  4.2719700000e-01 -6.6808000000e-02  2.0877910000e+00  1.2671350000e+00  4.9646000000e-01  1.5226840000e+00 -1.9442000000e-02  2.1204700000e-01 -1.7544540000e+00 -4.7018200000e-01  6.3084700000e-01 -1.7477850000e+00  3.9051100000e-01  7.3899100000e-01 -1.1545940000e+00 -9.9813000000e-01
+ENERGY -1.526520181334e+02
+FORCES  3.7588000000e-03  8.9900000000e-04  1.5001000000e-03 -1.0654000000e-03 -2.0195000000e-03 -3.5417000000e-03 -2.7868000000e-03 -3.3000000000e-05  1.5305000000e-03  2.3866000000e-03  3.3260000000e-03  2.0354000000e-03 -9.0840000000e-04 -3.6730000000e-04 -3.7589000000e-03 -1.3847000000e-03 -1.8052000000e-03  2.2347000000e-03
+
+JOB 60
+COORDS -1.2726610000e+00 -8.6621300000e-01 -1.0490230000e+00 -1.2653910000e+00 -1.3298300000e-01 -4.3375700000e-01 -3.8339700000e-01 -1.2185540000e+00 -1.0129950000e+00  1.2000750000e+00  8.8089400000e-01  9.6542200000e-01  1.1967730000e+00  1.1573860000e+00  1.8818130000e+00  1.6352380000e+00  2.8369000000e-02  9.7353700000e-01
+ENERGY -1.526563971746e+02
+FORCES  4.7234000000e-03  3.5465000000e-03  3.1786000000e-03 -2.3606000000e-03 -4.1586000000e-03 -3.0690000000e-03 -3.0437000000e-03 -6.9100000000e-05 -2.3410000000e-04  3.6539000000e-03 -1.1989000000e-03  5.0817000000e-03 -6.3500000000e-05 -1.3292000000e-03 -4.1244000000e-03 -2.9095000000e-03  3.2094000000e-03 -8.3270000000e-04
+
+JOB 61
+COORDS -1.7474740000e+00 -4.2926500000e-01 -1.0840300000e-01 -1.0095000000e+00 -9.0880300000e-01 -4.8479300000e-01 -2.5223470000e+00 -8.8869300000e-01 -4.3202200000e-01  1.7956320000e+00  4.3897900000e-01  1.6172200000e-01  1.0356690000e+00  6.6734500000e-01  6.9701300000e-01  1.6920370000e+00  9.5793300000e-01 -6.3589100000e-01
+ENERGY -1.526573297215e+02
+FORCES -8.6300000000e-04 -4.7680000000e-03 -2.8442000000e-03 -4.1896000000e-03  2.8080000000e-03  1.5916000000e-03  3.3484000000e-03  1.6988000000e-03  1.0498000000e-03 -3.3012000000e-03  4.7645000000e-03  7.2800000000e-05  4.4329000000e-03 -1.6948000000e-03 -2.7487000000e-03  5.7250000000e-04 -2.8086000000e-03  2.8786000000e-03
+
+JOB 62
+COORDS -2.6614700000e-01  1.7215160000e+00  5.6717600000e-01 -2.6418000000e-01  1.7589890000e+00  1.5236400000e+00 -1.1808550000e+00  1.8632300000e+00  3.2333300000e-01  3.2712400000e-01 -1.6657780000e+00 -6.1021200000e-01  8.8980000000e-02 -2.1097660000e+00  2.0366400000e-01  2.7500800000e-01 -2.3478260000e+00 -1.2797840000e+00
+ENERGY -1.526522580755e+02
+FORCES -3.7051000000e-03 -4.9000000000e-05  2.0097000000e-03  6.3400000000e-05 -4.3940000000e-04 -3.7725000000e-03  3.6081000000e-03 -1.2350000000e-04  1.2612000000e-03 -9.4380000000e-04 -4.1500000000e-03  1.1287000000e-03  8.7390000000e-04  1.5371000000e-03 -3.3008000000e-03  1.0340000000e-04  3.2248000000e-03  2.6736000000e-03
+
+JOB 63
+COORDS -6.9156300000e-01  1.4222620000e+00 -1.0354960000e+00 -1.5611630000e+00  1.7370230000e+00 -1.2823840000e+00 -8.2311700000e-01  9.9148300000e-01 -1.9089200000e-01  7.2072900000e-01 -1.4374240000e+00  1.0668600000e+00  1.2800220000e+00 -7.0220000000e-01  8.1612800000e-01  5.1164100000e-01 -1.8726660000e+00  2.4037400000e-01
+ENERGY -1.526567694114e+02
+FORCES -4.8924000000e-03 -1.1800000000e-05  2.7119000000e-03  3.4675000000e-03 -1.3673000000e-03  1.0107000000e-03  1.2225000000e-03  2.5489000000e-03 -4.6412000000e-03  3.3244000000e-03 -1.8610000000e-04 -4.8444000000e-03 -3.5006000000e-03 -2.8091000000e-03  1.7465000000e-03  3.7850000000e-04  1.8254000000e-03  4.0166000000e-03
+
+JOB 64
+COORDS  1.8222390000e+00 -8.2265000000e-02  3.5428100000e-01  1.6847710000e+00  8.2409400000e-01  7.8877000000e-02  2.5496380000e+00 -3.6836000000e-02  9.7481200000e-01 -1.8030320000e+00 -5.1210000000e-03 -3.6681200000e-01 -2.6869850000e+00 -3.0673500000e-01 -1.5731600000e-01 -1.9279810000e+00  8.7340300000e-01 -7.2571900000e-01
+ENERGY -1.526523329052e+02
+FORCES  1.2050000000e-03  4.0500000000e-03  1.3144000000e-03  1.2741000000e-03 -3.2087000000e-03  9.1360000000e-04 -3.0971000000e-03 -4.2240000000e-04 -2.5037000000e-03 -4.2673000000e-03  1.6898000000e-03 -4.1700000000e-04  3.7200000000e-03  1.2556000000e-03 -8.8950000000e-04  1.1654000000e-03 -3.3643000000e-03  1.5822000000e-03
+
+JOB 65
+COORDS  1.8286310000e+00 -1.9613400000e-01 -7.7908200000e-01  1.4768330000e+00  6.8760000000e-01 -6.7192300000e-01  1.0696290000e+00 -7.2964700000e-01 -1.0146940000e+00 -1.7174380000e+00  2.1325400000e-01  7.5197900000e-01 -1.6874600000e+00 -6.2241800000e-01  1.2177970000e+00 -2.6195880000e+00  5.1502100000e-01  8.5825800000e-01
+ENERGY -1.526564233287e+02
+FORCES -6.0975000000e-03  2.2133000000e-03  1.1500000000e-05  2.9343000000e-03 -3.1557000000e-03 -1.0533000000e-03  3.9634000000e-03  8.8220000000e-04  5.3680000000e-04 -4.2987000000e-03 -1.9684000000e-03  3.3707000000e-03 -3.1320000000e-04  3.3964000000e-03 -2.5128000000e-03  3.8117000000e-03 -1.3678000000e-03 -3.5290000000e-04
+
+JOB 66
+COORDS -3.9622400000e-01  3.4285300000e-01  1.9090800000e+00 -5.1635800000e-01 -4.6816700000e-01  1.4150700000e+00  1.3553300000e-01  8.8041000000e-02  2.6630940000e+00  3.7675500000e-01 -2.9817200000e-01 -1.8578530000e+00 -3.5757800000e-01  9.6974000000e-02 -2.3277950000e+00  1.0539090000e+00 -4.1384600000e-01 -2.5244220000e+00
+ENERGY -1.526550428309e+02
+FORCES  2.4533000000e-03 -4.5977000000e-03 -5.7210000000e-04 -6.0820000000e-04  3.0907000000e-03  3.7879000000e-03 -2.0992000000e-03  1.0589000000e-03 -2.7312000000e-03  9.1600000000e-05  2.1762000000e-03 -4.8932000000e-03  2.9895000000e-03 -2.1290000000e-03  1.7453000000e-03 -2.8271000000e-03  4.0080000000e-04  2.6634000000e-03
+
+JOB 67
+COORDS  1.3899410000e+00 -3.8250400000e-01  1.3559090000e+00  1.3915240000e+00 -4.8800700000e-01  4.0454200000e-01  1.7717080000e+00 -1.1949880000e+00  1.6881050000e+00 -1.4029570000e+00  4.8727600000e-01 -1.2791200000e+00 -1.3282010000e+00 -4.4843900000e-01 -1.0918210000e+00 -1.6478650000e+00  5.2816600000e-01 -2.2035550000e+00
+ENERGY -1.526539548201e+02
+FORCES  1.9202000000e-03 -2.5718000000e-03 -2.7210000000e-03  7.7400000000e-05 -1.0122000000e-03  4.3350000000e-03 -1.8870000000e-03  3.2819000000e-03 -1.5188000000e-03 -2.1103000000e-03 -3.3342000000e-03 -2.6726000000e-03  7.7780000000e-04  3.8620000000e-03 -1.4232000000e-03  1.2219000000e-03 -2.2570000000e-04  4.0005000000e-03
+
+JOB 68
+COORDS  6.1892800000e-01  7.1772700000e-01  1.7637730000e+00  1.2191390000e+00  1.2192450000e+00  1.2119940000e+00  1.0751570000e+00 -1.0799400000e-01  1.9258580000e+00 -6.9530400000e-01 -7.6480500000e-01 -1.7414850000e+00 -1.0222560000e+00 -1.0823500000e-01 -1.1264640000e+00 -1.3634200000e-01 -2.7288900000e-01 -2.3429930000e+00
+ENERGY -1.526555378957e+02
+FORCES  5.1143000000e-03 -2.1566000000e-03 -7.1620000000e-04 -2.9985000000e-03 -1.8637000000e-03  1.7480000000e-03 -1.7164000000e-03  3.9106000000e-03 -3.1260000000e-04  2.7940000000e-04  4.8987000000e-03  9.4480000000e-04  1.1777000000e-03 -2.8462000000e-03 -4.1721000000e-03 -1.8564000000e-03 -1.9428000000e-03  2.5081000000e-03
+
+JOB 69
+COORDS  9.8484900000e-01 -2.1369200000e-01  1.7627210000e+00  6.1029100000e-01 -1.0265240000e+00  2.1021960000e+00  1.7341420000e+00 -4.9552000000e-01  1.2379690000e+00 -9.8991200000e-01  2.1591700000e-01 -1.7595260000e+00 -1.2257500000e+00  8.6941900000e-01 -2.4179690000e+00 -1.0637500000e+00  6.7869800000e-01 -9.2489300000e-01
+ENERGY -1.526561164023e+02
+FORCES  2.1708000000e-03 -5.1875000000e-03 -9.0670000000e-04  1.4808000000e-03  3.5038000000e-03 -1.1896000000e-03 -2.8873000000e-03  1.2847000000e-03  2.7178000000e-03 -1.0328000000e-03  4.6737000000e-03  1.6220000000e-03  9.8960000000e-04 -2.5759000000e-03  2.5807000000e-03 -7.2100000000e-04 -1.6988000000e-03 -4.8242000000e-03
+
+JOB 70
+COORDS  7.5220300000e-01 -1.1143340000e+00  1.6307310000e+00  1.2650560000e+00 -1.3494570000e+00  8.5747200000e-01  7.7658600000e-01 -1.5770600000e-01  1.6530980000e+00 -7.9845900000e-01  1.0289650000e+00 -1.5416570000e+00 -5.3758000000e-02  1.6292240000e+00 -1.5050300000e+00 -1.2258110000e+00  1.2273000000e+00 -2.3748830000e+00
+ENERGY -1.526539932056e+02
+FORCES  7.9600000000e-04  3.2121000000e-03 -4.2729000000e-03 -1.1834000000e-03  7.2910000000e-04  3.6233000000e-03  8.3400000000e-04 -3.6307000000e-03  5.6540000000e-04  2.7450000000e-04  3.4114000000e-03 -3.9432000000e-03 -2.6567000000e-03 -2.9436000000e-03  5.2980000000e-04  1.9356000000e-03 -7.7840000000e-04  3.4975000000e-03
+
+JOB 71
+COORDS  2.8813000000e-01  1.9035830000e+00  1.2687870000e+00  3.8013000000e-02  9.8889300000e-01  1.3992270000e+00  8.5292000000e-02  2.0791580000e+00  3.4995000000e-01 -2.4027400000e-01 -1.9135860000e+00 -1.1796840000e+00  3.0127400000e-01 -1.2966970000e+00 -1.6720300000e+00 -1.1389610000e+00 -1.6909080000e+00 -1.4226000000e+00
+ENERGY -1.526546010080e+02
+FORCES -1.8048000000e-03 -3.5727000000e-03 -2.7922000000e-03  9.2330000000e-04  4.6335000000e-03 -4.6680000000e-04  8.5180000000e-04 -6.6720000000e-04  3.3496000000e-03 -1.3060000000e-03  2.0830000000e-03 -4.1540000000e-03 -2.6388000000e-03 -2.0562000000e-03  2.6143000000e-03  3.9745000000e-03 -4.2040000000e-04  1.4491000000e-03
+
+JOB 72
+COORDS -3.1984300000e-01 -2.1767060000e+00  5.4636200000e-01 -1.2307660000e+00 -2.0486460000e+00  8.1103600000e-01 -3.4232900000e-01 -2.9413750000e+00 -2.8969000000e-02  3.4681000000e-01  2.1852940000e+00 -5.8989000000e-01  1.2297360000e+00  2.0209990000e+00 -2.5870900000e-01 -3.4008000000e-02  2.8004010000e+00  3.6889000000e-02
+ENERGY -1.526539841705e+02
+FORCES -4.1103000000e-03 -1.9837000000e-03 -1.8836000000e-03  3.6713000000e-03 -8.8130000000e-04 -6.9210000000e-04  1.7850000000e-04  2.9353000000e-03  2.4718000000e-03  2.3421000000e-03  8.7590000000e-04  4.2039000000e-03 -3.4184000000e-03  1.4277000000e-03 -1.5253000000e-03  1.3368000000e-03 -2.3739000000e-03 -2.5746000000e-03
+
+JOB 73
+COORDS  9.3037500000e-01 -1.8676720000e+00  1.0110930000e+00  1.7433340000e+00 -1.6652530000e+00  1.4740800000e+00  4.0687600000e-01 -2.3550350000e+00  1.6472200000e+00 -9.0576800000e-01  1.8285510000e+00 -1.0752020000e+00 -1.2183550000e+00  2.3472010000e+00 -3.3390400000e-01 -1.2870990000e+00  2.2537170000e+00 -1.8433510000e+00
+ENERGY -1.526529845491e+02
+FORCES  1.0989000000e-03 -7.8460000000e-04  4.1763000000e-03 -3.3038000000e-03 -9.4160000000e-04 -1.7855000000e-03  2.1240000000e-03  1.9641000000e-03 -2.5561000000e-03 -2.7650000000e-03  3.4615000000e-03  8.7900000000e-05  1.2437000000e-03 -1.9270000000e-03 -3.0531000000e-03  1.6023000000e-03 -1.7723000000e-03  3.1305000000e-03
+
+JOB 74
+COORDS  7.2866900000e-01  1.8781920000e+00 -1.1921940000e+00 -1.3216000000e-02  2.4503820000e+00 -9.9613900000e-01  1.4875440000e+00  2.3373510000e+00 -8.3231200000e-01 -7.0176400000e-01 -1.9277570000e+00  1.2232680000e+00 -6.9035800000e-01 -2.7628460000e+00  7.5558400000e-01 -1.1767570000e+00 -1.3337060000e+00  6.4213400000e-01
+ENERGY -1.526545253062e+02
+FORCES  7.7690000000e-04  4.3668000000e-03  2.5872000000e-03  2.7492000000e-03 -2.6667000000e-03 -8.3580000000e-04 -3.1898000000e-03 -1.6260000000e-03 -1.7203000000e-03 -1.2693000000e-03 -4.6190000000e-04 -4.9634000000e-03 -1.7670000000e-04  3.1434000000e-03  2.0547000000e-03  1.1098000000e-03 -2.7555000000e-03  2.8775000000e-03
+
+JOB 75
+COORDS -5.0413500000e-01 -2.0195050000e+00  1.2762450000e+00 -5.5366600000e-01 -1.1165860000e+00  9.6237500000e-01  3.9639500000e-01 -2.1169360000e+00  1.5857360000e+00  4.3488900000e-01  2.0066950000e+00 -1.2184860000e+00  6.2805000000e-02  1.2472800000e+00 -1.6668980000e+00  1.1520040000e+00  2.2921140000e+00 -1.7846250000e+00
+ENERGY -1.526549380766e+02
+FORCES  3.5648000000e-03  3.7842000000e-03  6.1130000000e-04 -7.4800000000e-05 -4.3508000000e-03  6.6150000000e-04 -3.6372000000e-03  9.3800000000e-05 -1.3523000000e-03  1.5465000000e-03 -1.0927000000e-03 -5.0115000000e-03  1.6026000000e-03  2.8102000000e-03  2.7208000000e-03 -3.0018000000e-03 -1.2447000000e-03  2.3702000000e-03
+
+JOB 76
+COORDS -5.1205300000e-01 -1.9595570000e+00  1.4906740000e+00 -1.5517100000e-01 -1.2429870000e+00  9.6589400000e-01 -6.6232600000e-01 -2.6656300000e+00  8.6209500000e-01  4.9738600000e-01  1.9977270000e+00 -1.3729080000e+00 -2.3043300000e-01  1.5178970000e+00 -1.7682250000e+00  1.2555350000e+00  1.7697500000e+00 -1.9109290000e+00
+ENERGY -1.526543739979e+02
+FORCES  1.0989000000e-03  4.8340000000e-04 -4.3367000000e-03 -1.8053000000e-03 -3.7541000000e-03  1.9167000000e-03  5.7050000000e-04  2.9393000000e-03  2.3731000000e-03  1.6790000000e-04 -1.6452000000e-03 -4.5299000000e-03  3.2784000000e-03  1.3650000000e-03  2.1266000000e-03 -3.3104000000e-03  6.1160000000e-04  2.4502000000e-03
+
+JOB 77
+COORDS  1.0720720000e+00 -1.4189280000e+00 -1.8290360000e+00  9.0610800000e-01 -1.9022710000e+00 -2.6383980000e+00  1.5119290000e+00 -2.0495050000e+00 -1.2588330000e+00 -1.0373160000e+00  1.4853530000e+00  1.7952890000e+00 -1.8967870000e+00  1.9055810000e+00  1.8260870000e+00 -1.0095800000e+00  9.3792200000e-01  2.5800070000e+00
+ENERGY -1.526531955470e+02
+FORCES  1.0476000000e-03 -4.2937000000e-03 -6.7320000000e-04  6.3930000000e-04  2.0033000000e-03  3.2761000000e-03 -1.7452000000e-03  2.4139000000e-03 -2.3989000000e-03 -3.3913000000e-03 -7.2150000000e-04  2.8954000000e-03  3.5013000000e-03 -1.6385000000e-03 -2.2800000000e-05 -5.1700000000e-05  2.2364000000e-03 -3.0767000000e-03
+
+JOB 78
+COORDS -9.7916500000e-01  1.7959800000e-01 -2.3765440000e+00 -1.4572170000e+00  9.0924500000e-01 -1.9824470000e+00 -5.0185000000e-01  5.7226800000e-01 -3.1074430000e+00  9.4873000000e-01 -2.6655900000e-01  2.3458700000e+00  8.9669200000e-01  6.1008200000e-01  2.7266890000e+00  1.5398230000e+00 -7.4576700000e-01  2.9265590000e+00
+ENERGY -1.526533528358e+02
+FORCES  2.7200000000e-04  4.4707000000e-03 -7.5620000000e-04  1.7617000000e-03 -2.7934000000e-03 -1.8901000000e-03 -1.9864000000e-03 -1.5984000000e-03  2.8554000000e-03  2.2467000000e-03  1.3829000000e-03  3.7410000000e-03  1.2100000000e-04 -3.4735000000e-03 -1.6139000000e-03 -2.4150000000e-03  2.0117000000e-03 -2.3362000000e-03
+
+JOB 79
+COORDS -7.6795900000e-01 -1.0782550000e+00 -3.0190270000e+00 -3.4735000000e-02 -1.3203950000e+00 -2.4533570000e+00 -1.4811230000e+00 -8.7509900000e-01 -2.4137520000e+00  7.6875000000e-01  1.1534980000e+00  2.9655650000e+00  1.2677350000e+00  4.8660900000e-01  3.4372690000e+00  2.2560600000e-01  6.5800600000e-01  2.3526100000e+00
+ENERGY -1.526536298943e+02
+FORCES  8.5200000000e-05 -7.1100000000e-05  4.4915000000e-03 -3.1064000000e-03  9.7290000000e-04 -2.0986000000e-03  3.0344000000e-03 -8.9180000000e-04 -2.2803000000e-03 -1.0720000000e-04 -4.6139000000e-03 -2.8380000000e-04 -2.1035000000e-03  2.7058000000e-03 -2.0726000000e-03  2.1976000000e-03  1.8981000000e-03  2.2437000000e-03
+
+JOB 80
+COORDS  9.7654900000e-01  1.1783130000e+00 -2.9396540000e+00  8.3544800000e-01  1.9018570000e+00 -2.3290750000e+00  7.7040100000e-01  1.5458800000e+00 -3.7990900000e+00 -9.3287800000e-01 -1.2108780000e+00  2.9041710000e+00 -1.6834160000e+00 -1.8048090000e+00  2.9172970000e+00 -6.2771100000e-01 -1.1896940000e+00  3.8111740000e+00
+ENERGY -1.526539264751e+02
+FORCES -1.5191000000e-03  4.3678000000e-03 -6.4950000000e-04  6.6190000000e-04 -2.7920000000e-03 -2.7400000000e-03  8.4960000000e-04 -1.5194000000e-03  3.4364000000e-03 -1.7494000000e-03 -2.5167000000e-03  3.5962000000e-03  3.0183000000e-03  2.4745000000e-03  3.9500000000e-05 -1.2612000000e-03 -1.4100000000e-05 -3.6827000000e-03
+
+JOB 81
+COORDS -4.6631900000e-01  3.1853380000e+00  8.7433600000e-01 -1.0874480000e+00  3.7059640000e+00  1.3836280000e+00 -7.4680200000e-01  3.2979390000e+00 -3.3894000000e-02  4.6452200000e-01 -3.2427290000e+00 -8.8998700000e-01  1.3439670000e+00 -3.6206230000e+00 -8.9216200000e-01  5.1260400000e-01 -2.5265920000e+00 -2.5668800000e-01
+ENERGY -1.526544992266e+02
+FORCES -3.7740000000e-03  2.7389000000e-03 -1.6622000000e-03  2.5527000000e-03 -2.1321000000e-03 -2.0714000000e-03  1.1945000000e-03 -4.9380000000e-04  3.7561000000e-03  3.7897000000e-03  1.5554000000e-03  2.7084000000e-03 -3.5593000000e-03  1.4593000000e-03 -4.1300000000e-05 -2.0370000000e-04 -3.1277000000e-03 -2.6895000000e-03
+
+JOB 82
+COORDS -9.5928200000e-01 -3.6734350000e+00 -1.3799890000e+00 -4.4325400000e-01 -4.3881000000e+00 -1.7530850000e+00 -5.5422900000e-01 -3.5035260000e+00 -5.2952200000e-01  9.0948700000e-01  3.6395710000e+00  1.3654800000e+00  9.8749400000e-01  4.3334160000e+00  2.0202510000e+00  8.4378600000e-01  4.1035360000e+00  5.3082300000e-01
+ENERGY -1.526541599943e+02
+FORCES  3.8057000000e-03 -2.0514000000e-03  2.0551000000e-03 -2.1172000000e-03  2.8716000000e-03  1.4769000000e-03 -1.6777000000e-03 -8.5180000000e-04 -3.5144000000e-03 -4.1500000000e-05  4.7350000000e-03 -8.1740000000e-04 -2.9210000000e-04 -2.8435000000e-03 -2.6462000000e-03  3.2280000000e-04 -1.8599000000e-03  3.4461000000e-03
+
+JOB 83
+COORDS  1.0330100000e+00  4.3792490000e+00  3.0271000000e-01  8.9277100000e-01  5.0868290000e+00  9.3191200000e-01  1.9229980000e+00  4.0741910000e+00  4.7904100000e-01 -1.0531740000e+00 -4.3568380000e+00 -3.1326100000e-01 -5.9993500000e-01 -5.1546770000e+00 -5.8576900000e-01 -1.9197100000e+00 -4.4242130000e+00 -7.1427000000e-01
+ENERGY -1.526540024873e+02
+FORCES  3.0463000000e-03  1.4836000000e-03  3.3287000000e-03  5.6690000000e-04 -2.8398000000e-03 -2.5822000000e-03 -3.5995000000e-03  1.3385000000e-03 -7.3610000000e-04 -1.7244000000e-03 -3.4280000000e-03 -2.7974000000e-03 -1.8269000000e-03  3.2365000000e-03  1.1336000000e-03  3.5376000000e-03  2.0920000000e-04  1.6535000000e-03
+
+JOB 84
+COORDS  5.5599900000e-01  1.8105720000e+00  4.3885760000e+00 -1.0169200000e-01  1.5172570000e+00  5.0191640000e+00  2.8859000000e-01  1.4124390000e+00  3.5601960000e+00 -5.1812200000e-01 -1.7932700000e+00 -4.3290050000e+00 -3.0329500000e-01 -2.1863160000e+00 -5.1749330000e+00 -3.0300600000e-01 -8.6642300000e-01 -4.4334640000e+00
+ENERGY -1.526541925443e+02
+FORCES -3.7809000000e-03 -2.8998000000e-03 -8.3240000000e-04  2.6806000000e-03  1.2255000000e-03 -2.5431000000e-03  1.1011000000e-03  1.6896000000e-03  3.3910000000e-03  1.7843000000e-03  2.1486000000e-03 -3.9548000000e-03 -8.8550000000e-04  1.6105000000e-03  3.4576000000e-03 -8.9960000000e-04 -3.7745000000e-03  4.8170000000e-04
+
+JOB 85
+COORDS  2.8739600000e-01  4.8299120000e+00 -6.9168000000e-01  9.7876700000e-01  4.1801890000e+00 -5.6480100000e-01 -4.5919200000e-01  4.3258270000e+00 -1.0153080000e+00 -3.1382400000e-01 -4.7230050000e+00  6.6503500000e-01  4.8607000000e-02 -4.6612920000e+00  1.5488150000e+00 -1.7263200000e-01 -5.6349850000e+00  4.1089100000e-01
+ENERGY -1.526542237984e+02
+FORCES -2.5910000000e-04 -4.7904000000e-03 -8.1920000000e-04 -2.7743000000e-03  2.6991000000e-03 -4.9670000000e-04  3.0399000000e-03  2.1158000000e-03  1.3164000000e-03  2.0195000000e-03 -3.5637000000e-03  2.5903000000e-03 -1.4623000000e-03 -2.0090000000e-04 -3.6251000000e-03 -5.6370000000e-04  3.7400000000e-03  1.0344000000e-03
+
+JOB 86
+COORDS -8.1250000000e-03 -4.1857270000e+00  3.2694580000e+00  3.0455100000e-01 -4.4702440000e+00  2.4106710000e+00  6.5367500000e-01 -4.5040910000e+00  3.8833770000e+00  3.3759000000e-02  4.2086080000e+00 -3.2470620000e+00 -6.3414600000e-01  3.5448020000e+00 -3.0753160000e+00 -4.5556600000e-01  4.9608340000e+00 -3.5801500000e+00
+ENERGY -1.526541170700e+02
+FORCES  4.0237000000e-03 -2.4368000000e-03 -9.8870000000e-04 -1.3070000000e-03  1.1507000000e-03  3.4941000000e-03 -2.7135000000e-03  1.2824000000e-03 -2.5004000000e-03 -4.7461000000e-03  3.5950000000e-04 -5.9920000000e-04  2.7385000000e-03  2.7065000000e-03 -7.4390000000e-04  2.0045000000e-03 -3.0623000000e-03  1.3381000000e-03
+
+JOB 87
+COORDS -3.9556320000e+00 -2.4231300000e+00 -3.0758770000e+00 -3.3124560000e+00 -2.2891000000e+00 -3.7720050000e+00 -4.0364810000e+00 -3.3741740000e+00 -3.0036960000e+00  3.9439200000e+00  2.4342110000e+00  3.1638850000e+00  4.1115000000e+00  3.3459130000e+00  2.9252430000e+00  3.4409990000e+00  2.0824210000e+00  2.4293470000e+00
+ENERGY -1.526540976039e+02
+FORCES  2.2445000000e-03 -3.3800000000e-03 -2.5512000000e-03 -2.5968000000e-03 -5.1540000000e-04  2.8552000000e-03  3.4520000000e-04  3.8942000000e-03 -3.0050000000e-04 -1.4312000000e-03  2.2905000000e-03 -3.9556000000e-03 -6.5790000000e-04 -3.7184000000e-03  9.6880000000e-04  2.0963000000e-03  1.4291000000e-03  2.9833000000e-03
+
+JOB 88
+COORDS  1.3607800000e-01  4.5281900000e+00  3.2415430000e+00 -7.4537500000e-01  4.8362030000e+00  3.0308310000e+00  5.0641600000e-01  5.2184960000e+00  3.7915970000e+00 -6.4825000000e-02 -4.6048640000e+00 -3.2203420000e+00 -8.5268300000e-01 -4.1096180000e+00 -2.9961930000e+00 -1.2376500000e-01 -4.7340320000e+00 -4.1669540000e+00
+ENERGY -1.526540287131e+02
+FORCES -2.0525000000e-03  4.0640000000e-03  1.4042000000e-03  3.5831000000e-03 -1.2618000000e-03  8.4450000000e-04 -1.5241000000e-03 -2.8096000000e-03 -2.2498000000e-03 -3.4307000000e-03  1.5551000000e-03 -2.9018000000e-03  3.1893000000e-03 -2.0559000000e-03 -9.4650000000e-04  2.3500000000e-04  5.0830000000e-04  3.8495000000e-03
+
+JOB 89
+COORDS -8.8751700000e-01  1.9865390000e+00  5.3403980000e+00 -1.7435970000e+00  1.7284610000e+00  4.9987040000e+00 -1.0550650000e+00  2.7980930000e+00  5.8195000000e+00  9.0860600000e-01 -2.0590050000e+00 -5.3900250000e+00  1.6521950000e+00 -2.2032790000e+00 -4.8047960000e+00  6.5234200000e-01 -1.1502290000e+00 -5.2329050000e+00
+ENERGY -1.526541290917e+02
+FORCES -4.1983000000e-03  2.2471000000e-03  6.1890000000e-04  3.5090000000e-03  1.0601000000e-03  1.3636000000e-03  6.9030000000e-04 -3.3062000000e-03 -1.9743000000e-03  2.0120000000e-03  3.1163000000e-03  3.0638000000e-03 -3.0368000000e-03  5.8390000000e-04 -2.4102000000e-03  1.0237000000e-03 -3.7012000000e-03 -6.6180000000e-04
+
+JOB 0
+COORDS -3.9237800000e-01 -5.5277800000e-01 -1.0713120000e+00 -1.1923690000e+00 -2.9504000000e-02 -1.0220070000e+00  1.3066600000e-01 -1.2807300000e-01 -1.7512250000e+00  3.7921400000e-01  4.7055300000e-01  1.1560900000e+00  2.8742100000e-01  2.9034900000e-01  2.2049800000e-01  1.0710690000e+00  1.1301040000e+00  1.2067040000e+00
+ENERGY -1.526537825208e+02
+FORCES -8.6370000000e-04  4.0950000000e-03  6.7951000000e-03  7.5717000000e-03 -1.3136000000e-03  1.2109000000e-03 -1.2041000000e-03  2.4480000000e-04  8.5783000000e-03 -4.5509000000e-03 -9.8891000000e-03 -1.6786400000e-02  1.5483000000e-03  9.8291000000e-03  4.4704000000e-03 -2.5014000000e-03 -2.9662000000e-03 -4.2682000000e-03
+
+JOB 1
+COORDS  6.2959900000e-01 -7.0565000000e-02  1.0961450000e+00  8.7955600000e-01 -9.8738000000e-01  9.8124500000e-01  2.2674900000e-01 -3.8584000000e-02  1.9638560000e+00 -5.9924800000e-01  8.5463000000e-02 -1.1928410000e+00 -1.3126200000e-01  1.6905200000e-01 -3.6203800000e-01 -1.4351700000e+00  5.2703100000e-01 -1.0428980000e+00
+ENERGY -1.526579220737e+02
+FORCES -7.6627000000e-03 -2.1389000000e-03 -7.6199000000e-03 -2.4836000000e-03  5.8699000000e-03  4.5710000000e-04  2.2257000000e-03 -1.3356000000e-03 -4.2771000000e-03  7.3682000000e-03  1.7191000000e-03  1.8853700000e-02 -1.8498000000e-03 -2.9883000000e-03 -8.4889000000e-03  2.4021000000e-03 -1.1263000000e-03  1.0750000000e-03
+
+JOB 2
+COORDS  5.4911600000e-01 -1.2056530000e+00  1.3145800000e-01 -1.1126900000e-01 -1.8885930000e+00  1.4343000000e-02  6.6939000000e-02 -3.8527900000e-01  2.7903000000e-02 -4.7777800000e-01  1.1280190000e+00 -1.2893600000e-01  8.2126000000e-02  1.8086130000e+00 -5.0247500000e-01 -1.1141350000e+00  1.6059220000e+00  4.0293800000e-01
+ENERGY -1.526578099377e+02
+FORCES -9.1731000000e-03  1.7955000000e-02 -2.2656000000e-03  1.9270000000e-04  3.6324000000e-03  5.8720000000e-04  2.6907000000e-03 -6.8003000000e-03 -4.1420000000e-04  7.0315000000e-03 -1.1837700000e-02  2.8094000000e-03 -4.3180000000e-03 -2.0179000000e-03  2.8896000000e-03  3.5763000000e-03 -9.3150000000e-04 -3.6064000000e-03
+
+JOB 3
+COORDS  6.0676600000e-01  2.3753100000e-01 -1.2164880000e+00  9.3762600000e-01 -6.3546800000e-01 -1.0052160000e+00  3.3531000000e-02  4.6088100000e-01 -4.8317500000e-01 -5.5640700000e-01 -1.5418800000e-01  1.1297200000e+00 -1.4949910000e+00 -3.1598900000e-01  1.0342640000e+00 -2.7518300000e-01 -7.6674900000e-01  1.8093630000e+00
+ENERGY -1.526559042477e+02
+FORCES -5.6695000000e-03 -5.8619000000e-03  1.7511200000e-02  9.9720000000e-04  8.8300000000e-04 -2.2864000000e-03 -2.8680000000e-03  3.6696000000e-03 -5.1093000000e-03  4.5042000000e-03 -1.6132000000e-03 -5.8956000000e-03  5.6480000000e-03  1.0378000000e-03 -6.0090000000e-04 -2.6119000000e-03  1.8847000000e-03 -3.6190000000e-03
+
+JOB 4
+COORDS -6.2393400000e-01 -1.1952970000e+00  1.6270600000e-01 -3.7377300000e-01 -3.1278800000e-01 -1.1084100000e-01 -1.5471060000e+00 -1.2689210000e+00 -7.9297000000e-02  6.7762100000e-01  1.0831350000e+00 -1.6004900000e-01  1.3304650000e+00  1.6628840000e+00  2.3227400000e-01 -1.4684300000e-01  1.5633330000e+00 -8.3234000000e-02
+ENERGY -1.526529965195e+02
+FORCES  8.0220000000e-03  9.0431000000e-03 -1.9521000000e-03 -9.4634000000e-03  1.6724000000e-03 -6.9060000000e-04  3.8393000000e-03  3.6361000000e-03  5.7510000000e-04 -8.0310000000e-04 -4.7955000000e-03  5.3571000000e-03 -3.9894000000e-03 -1.0280000000e-03 -2.4694000000e-03  2.3945000000e-03 -8.5280000000e-03 -8.2010000000e-04
+
+JOB 5
+COORDS  8.6617000000e-02 -7.5206800000e-01  1.0541400000e+00 -2.9185800000e-01 -1.4482300000e-01  1.6899400000e+00 -3.7912100000e-01 -1.5751910000e+00  1.2017510000e+00 -2.8035000000e-02  7.7123900000e-01 -1.1693350000e+00  5.4131000000e-02 -2.4329000000e-02 -6.4345300000e-01 -2.6388200000e-01  1.4521210000e+00 -5.3924900000e-01
+ENERGY -1.526571263740e+02
+FORCES -3.4023000000e-03  4.6161000000e-03 -1.6157000000e-03  1.4515000000e-03 -2.8239000000e-03 -3.6648000000e-03  1.9819000000e-03  4.9067000000e-03 -1.4477000000e-03  6.4360000000e-04 -8.0538000000e-03  1.5469100000e-02 -7.7520000000e-04  2.0633000000e-03 -7.5847000000e-03  1.0060000000e-04 -7.0850000000e-04 -1.1562000000e-03
+
+JOB 6
+COORDS  7.2520000000e-02  1.2915500000e+00 -2.0016000000e-02  6.2130900000e-01  1.8472330000e+00 -5.7344100000e-01 -7.3900100000e-01  1.7874700000e+00  8.8285000000e-02 -1.8048000000e-02 -1.3943020000e+00  2.5404000000e-02 -8.8598700000e-01 -1.5507790000e+00  3.9746400000e-01  8.5266000000e-02 -4.4298900000e-01  4.9092000000e-02
+ENERGY -1.526593114316e+02
+FORCES -1.1940000000e-03 -5.5673000000e-03 -2.2497000000e-03 -3.8870000000e-03 -1.4958000000e-03  2.9849000000e-03  4.3478000000e-03 -1.8112000000e-03 -9.7010000000e-04 -1.1138000000e-03  1.5908700000e-02  5.3560000000e-04  1.9124000000e-03  1.4969000000e-03 -1.0214000000e-03 -6.5300000000e-05 -8.5314000000e-03  7.2070000000e-04
+
+JOB 7
+COORDS  7.6805400000e-01  8.9229700000e-01 -7.5719200000e-01  3.5818700000e-01  2.5283400000e-01 -1.7467500000e-01  1.5217200000e-01  1.6246620000e+00 -7.8092500000e-01 -6.6080400000e-01 -8.5680800000e-01  7.4544400000e-01 -1.5951160000e+00 -6.5311100000e-01  7.0301700000e-01 -5.9618400000e-01 -1.7554650000e+00  4.2222500000e-01
+ENERGY -1.526595788960e+02
+FORCES -9.9664000000e-03 -8.6702000000e-03  9.9894000000e-03  5.6426000000e-03  5.3753000000e-03 -6.0293000000e-03  7.7570000000e-04 -2.3979000000e-03  2.7500000000e-04 -4.3480000000e-04  1.6539000000e-03 -5.4345000000e-03  4.8982000000e-03 -1.1752000000e-03 -2.5540000000e-04 -9.1530000000e-04  5.2141000000e-03  1.4549000000e-03
+
+JOB 8
+COORDS -7.2657100000e-01  4.1191400000e-01  1.1497810000e+00 -8.2592000000e-01 -5.2848400000e-01  1.2981450000e+00 -3.8540000000e-01  4.7945200000e-01  2.5800000000e-01  7.0120200000e-01 -3.2523800000e-01 -1.0504900000e+00  9.3168100000e-01  3.3029000000e-02 -1.9076700000e+00  6.7048300000e-01 -1.2722190000e+00 -1.1865600000e+00
+ENERGY -1.526578050607e+02
+FORCES  7.8348000000e-03 -6.4672000000e-03 -1.1651700000e-02 -1.6450000000e-04  1.7555000000e-03  2.7820000000e-04 -4.4711000000e-03  4.0448000000e-03  4.5531000000e-03 -1.8131000000e-03 -1.9648000000e-03  2.0174000000e-03 -1.5268000000e-03 -2.0927000000e-03  4.4949000000e-03  1.4070000000e-04  4.7244000000e-03  3.0810000000e-04
+
+JOB 9
+COORDS  1.2539800000e+00 -1.8508800000e-01 -3.8953300000e-01  1.6368910000e+00 -9.1709900000e-01  9.3966000000e-02  1.7322350000e+00  5.8383300000e-01 -7.9268000000e-02 -1.3433340000e+00  2.1872300000e-01  3.9460500000e-01 -4.0015000000e-01  1.0436900000e-01  2.7816500000e-01 -1.7337790000e+00 -2.2794400000e-01 -3.5657500000e-01
+ENERGY -1.526601150103e+02
+FORCES  3.7470000000e-04  4.4770000000e-04  1.9653000000e-03 -3.0928000000e-03  4.6927000000e-03 -1.9400000000e-03 -4.1722000000e-03 -4.8228000000e-03 -3.2130000000e-04  1.3852300000e-02 -3.7983000000e-03 -8.0078000000e-03 -7.4066000000e-03  2.6473000000e-03  6.0352000000e-03  4.4460000000e-04  8.3340000000e-04  2.2686000000e-03
+
+JOB 10
+COORDS -6.8950000000e-01  8.4061600000e-01 -7.4689000000e-01 -5.0550100000e-01  1.6196090000e+00 -1.2718150000e+00 -1.2328460000e+00  2.9252300000e-01 -1.3131070000e+00  7.7186600000e-01 -8.6418600000e-01  7.9591800000e-01  1.5677800000e-01 -1.2960740000e+00  1.3886840000e+00  2.3442100000e-01 -2.4523000000e-01  3.0167300000e-01
+ENERGY -1.526603512489e+02
+FORCES  3.9401000000e-03 -1.5242000000e-03 -5.7520000000e-04 -2.5868000000e-03 -4.1726000000e-03  1.1196000000e-03  3.0231000000e-03  2.9169000000e-03  3.3020000000e-03 -7.7141000000e-03  9.3887000000e-03 -5.7612000000e-03  6.8230000000e-04  1.5852000000e-03 -2.8680000000e-03  2.6554000000e-03 -8.1940000000e-03  4.7828000000e-03
+
+JOB 11
+COORDS -9.2487100000e-01 -1.0592410000e+00  4.6672000000e-02 -1.5172000000e+00 -8.3145300000e-01  7.6325400000e-01 -2.0235700000e-01 -4.3632900000e-01  1.2532000000e-01  8.8656800000e-01  9.5099000000e-01 -7.9395000000e-02  9.7423800000e-01  1.4277060000e+00 -9.0479600000e-01  1.3067870000e+00  1.5153950000e+00  5.6952300000e-01
+ENERGY -1.526601026613e+02
+FORCES  8.1522000000e-03  1.1517700000e-02  1.3232000000e-03  2.1664000000e-03 -1.0550000000e-04 -1.5825000000e-03 -5.1513000000e-03 -6.8293000000e-03  6.0920000000e-04 -3.8026000000e-03 -2.0905000000e-03 -1.5035000000e-03  9.2720000000e-04 -7.9590000000e-04  5.0568000000e-03 -2.2919000000e-03 -1.6965000000e-03 -3.9032000000e-03
+
+JOB 12
+COORDS  6.2327800000e-01  9.8440000000e-01 -8.2222200000e-01  1.4281580000e+00  5.0362300000e-01 -6.2921000000e-01 -5.7620000000e-02  5.1627000000e-01 -3.3904100000e-01 -6.5552800000e-01 -8.8990700000e-01  7.3107600000e-01 -3.3304500000e-01 -5.8948400000e-01  1.5807720000e+00 -5.8381300000e-01 -1.8435940000e+00  7.7069900000e-01
+ENERGY -1.526583059062e+02
+FORCES -4.5827000000e-03 -1.2693300000e-02  6.6461000000e-03 -8.8070000000e-04  2.0525000000e-03 -4.1670000000e-04  2.1106000000e-03  7.6408000000e-03 -4.8570000000e-04  3.4725000000e-03 -4.7500000000e-04 -1.5987000000e-03 -5.4900000000e-04 -1.1329000000e-03 -5.7251000000e-03  4.2920000000e-04  4.6079000000e-03  1.5800000000e-03
+
+JOB 13
+COORDS -1.6327700000e-01 -2.6205100000e-01 -1.3939010000e+00 -1.3817200000e-01  1.1433300000e-01 -5.1416400000e-01 -7.7276900000e-01 -9.9673900000e-01 -1.3233000000e+00  2.0775300000e-01  2.7184600000e-01  1.2667490000e+00  1.9053700000e-01 -3.7964600000e-01  1.9678140000e+00  4.9783000000e-02  1.1054630000e+00  1.7098740000e+00
+ENERGY -1.526594224032e+02
+FORCES  1.4770000000e-04  5.6210000000e-04  1.4102100000e-02 -1.7842000000e-03  1.1748000000e-03 -8.3094000000e-03  1.8331000000e-03  1.5500000000e-03 -7.5000000000e-06 -3.9100000000e-04 -2.8622000000e-03 -1.4285000000e-03 -3.3620000000e-04  4.3086000000e-03 -2.1293000000e-03  5.3060000000e-04 -4.7333000000e-03 -2.2274000000e-03
+
+JOB 14
+COORDS  1.0886520000e+00  3.1160000000e-03  7.5210600000e-01  2.0217810000e+00  2.1397100000e-01  7.1981900000e-01  1.0442610000e+00 -8.1379200000e-01  1.2490180000e+00 -1.1823250000e+00  7.7675000000e-02 -8.0960100000e-01 -3.3035300000e-01  2.5121100000e-01 -4.0927500000e-01 -1.3170400000e+00 -8.6232400000e-01 -6.8924700000e-01
+ENERGY -1.526593117555e+02
+FORCES -1.2426000000e-03 -2.1069000000e-03 -8.0110000000e-04 -4.4756000000e-03 -1.9719000000e-03  9.1730000000e-04  9.2990000000e-04  3.6900000000e-03 -2.9999000000e-03  1.1490400000e-02 -2.3427000000e-03  7.2990000000e-03 -6.8306000000e-03  6.0970000000e-04 -4.6882000000e-03  1.2840000000e-04  2.1218000000e-03  2.7290000000e-04
+
+JOB 15
+COORDS  9.0294500000e-01  3.2543000000e-02  9.9117400000e-01  3.6009800000e-01  4.6203300000e-01  1.6523000000e+00  1.7010230000e+00  5.5989200000e-01  9.5642600000e-01 -9.1187300000e-01 -1.2365100000e-01 -1.0843720000e+00 -3.9670600000e-01 -1.6097900000e-01 -2.7849300000e-01 -1.5677250000e+00  5.5360300000e-01 -9.1879200000e-01
+ENERGY -1.526583999130e+02
+FORCES  1.4568000000e-03  3.9574000000e-03 -3.0168000000e-03  9.4260000000e-04 -1.9070000000e-03 -6.1809000000e-03 -4.0488000000e-03 -2.1702000000e-03  2.2620000000e-03  8.5433000000e-03  1.8719000000e-03  9.5728000000e-03 -9.6934000000e-03  3.0000000000e-05 -3.6787000000e-03  2.7996000000e-03 -1.7821000000e-03  1.0416000000e-03
+
+JOB 16
+COORDS  5.6451000000e-02  1.3545940000e+00 -4.5360100000e-01  1.4210100000e-01  4.2798000000e-01 -2.2936500000e-01  9.2429000000e-01  1.6062980000e+00 -7.6940500000e-01 -1.0316300000e-01 -1.2568640000e+00  4.7260400000e-01 -9.0076700000e-01 -1.7228880000e+00  2.2184400000e-01  5.8023800000e-01 -1.9269720000e+00  4.6032000000e-01
+ENERGY -1.526608268328e+02
+FORCES  1.3890000000e-03 -1.1164000000e-02  3.8221000000e-03  1.0515000000e-03  9.6451000000e-03 -4.4553000000e-03 -2.1413000000e-03 -2.1929000000e-03  1.3225000000e-03 -1.4730000000e-03 -7.9220000000e-04 -1.6099000000e-03  4.8675000000e-03  1.3056000000e-03  1.3812000000e-03 -3.6937000000e-03  3.1983000000e-03 -4.6070000000e-04
+
+JOB 17
+COORDS -3.6621500000e-01  1.2332770000e+00 -6.4746500000e-01 -1.8182500000e-01  4.5279800000e-01 -1.2488900000e-01 -5.6936000000e-02  1.0124450000e+00 -1.5259930000e+00  3.8876400000e-01 -1.1366810000e+00  6.2828300000e-01  1.7085500000e-01 -1.0777870000e+00  1.5584870000e+00 -1.7048500000e-01 -1.8382660000e+00  2.9474000000e-01
+ENERGY -1.526605748617e+02
+FORCES  6.2102000000e-03 -1.2445900000e-02  3.8852000000e-03 -5.0785000000e-03  8.6151000000e-03 -2.9255000000e-03 -1.4286000000e-03  2.5170000000e-04  2.1317000000e-03 -2.4858000000e-03 -1.4273000000e-03  1.2263000000e-03  1.0110000000e-04  3.8570000000e-04 -5.9227000000e-03  2.6816000000e-03  4.6206000000e-03  1.6049000000e-03
+
+JOB 18
+COORDS -3.6231200000e-01  7.3460600000e-01  1.0890320000e+00  2.6048300000e-01  1.3709440000e+00  1.4403600000e+00 -3.2768400000e-01  8.7100000000e-04  1.7027630000e+00  3.7788700000e-01 -7.7495900000e-01 -1.1525500000e+00 -2.7772300000e-01 -6.1451600000e-01 -1.8312730000e+00  1.2338200000e-01 -1.9853600000e-01 -4.3199800000e-01
+ENERGY -1.526618256762e+02
+FORCES  2.9009000000e-03 -6.6170000000e-04  2.6017000000e-03 -3.1808000000e-03 -3.8494000000e-03 -1.2247000000e-03  8.0260000000e-04  3.9910000000e-03 -4.5748000000e-03 -5.2651000000e-03  8.6341000000e-03  7.6798000000e-03  1.6701000000e-03 -6.2100000000e-05  2.3915000000e-03  3.0724000000e-03 -8.0520000000e-03 -6.8734000000e-03
+
+JOB 19
+COORDS -1.4290500000e+00  1.5000500000e-01  1.7751400000e-01 -4.7443500000e-01  7.9988000000e-02  1.8384800000e-01 -1.6822800000e+00 -1.0202400000e-01 -7.1051000000e-01  1.3402850000e+00 -8.2304000000e-02 -1.3828300000e-01  1.6035800000e+00 -4.2867600000e-01  7.1432100000e-01  1.8770890000e+00 -5.6265700000e-01 -7.6862800000e-01
+ENERGY -1.526595772762e+02
+FORCES  1.2412400000e-02 -1.3718000000e-03 -6.0031000000e-03 -7.1114000000e-03  9.5000000000e-05  5.9675000000e-03  5.8000000000e-05  5.0290000000e-04  2.2446000000e-03 -3.2480000000e-04 -3.0436000000e-03 -1.0858000000e-03 -3.3736000000e-03  1.6862000000e-03 -4.9661000000e-03 -1.6606000000e-03  2.1314000000e-03  3.8430000000e-03
+
+JOB 20
+COORDS -5.0337900000e-01  1.3163420000e+00  2.9741800000e-01 -7.9757200000e-01  1.2121780000e+00  1.2023110000e+00 -1.8766500000e-01  4.4830700000e-01  4.6279000000e-02  4.4780000000e-01 -1.2518810000e+00 -3.0173900000e-01  1.3275430000e+00 -1.3993020000e+00  4.5464000000e-02  5.5252100000e-01 -1.3059460000e+00 -1.2516560000e+00
+ENERGY -1.526614008640e+02
+FORCES  2.9227000000e-03 -1.3285700000e-02 -7.1900000000e-05  1.3950000000e-03  1.4150000000e-04 -2.2846000000e-03 -2.8394000000e-03  1.0298100000e-02  3.7850000000e-04  3.2859000000e-03  6.4380000000e-04 -1.4130000000e-03 -4.6661000000e-03  8.5240000000e-04 -2.1859000000e-03 -9.8100000000e-05  1.3499000000e-03  5.5769000000e-03
+
+JOB 21
+COORDS -1.3270400000e+00 -1.7292100000e-01 -1.4198000000e-01 -2.0453430000e+00  2.5101900000e-01  3.2764500000e-01 -1.6636950000e+00 -1.0415550000e+00 -3.6191400000e-01  1.4235280000e+00  1.6109800000e-01  1.6056500000e-01  4.7582200000e-01  1.6522200000e-01  2.9498500000e-01  1.5741130000e+00  8.3014000000e-01 -5.0722200000e-01
+ENERGY -1.526607413525e+02
+FORCES  2.1390000000e-04 -3.4173000000e-03 -1.7610000000e-04  3.8704000000e-03 -2.4073000000e-03 -2.3107000000e-03 -1.9410000000e-04  4.8885000000e-03  1.3983000000e-03 -1.2191500000e-02  4.7350000000e-04 -3.4802000000e-03  8.5586000000e-03  2.1460000000e-03  2.6093000000e-03 -2.5740000000e-04 -1.6833000000e-03  1.9593000000e-03
+
+JOB 22
+COORDS -6.0720300000e-01 -6.8928000000e-01  1.0268400000e+00  2.1339600000e-01 -9.0703000000e-01  1.4689180000e+00 -1.0241990000e+00 -4.4816000000e-02  1.5986900000e+00  6.2357900000e-01  6.5068100000e-01 -1.1422580000e+00  4.5929400000e-01  1.5012620000e+00 -7.3512900000e-01  6.8163000000e-02  4.0871000000e-02 -6.5658800000e-01
+ENERGY -1.526595944982e+02
+FORCES  3.3833000000e-03  3.0805000000e-03  3.0411000000e-03 -4.5675000000e-03  1.7389000000e-03 -2.3684000000e-03  2.8933000000e-03 -2.4843000000e-03 -2.9877000000e-03 -7.6889000000e-03 -3.5397000000e-03  1.0231400000e-02  8.5310000000e-04 -1.9238000000e-03 -9.3880000000e-04  5.1268000000e-03  3.1285000000e-03 -6.9777000000e-03
+
+JOB 23
+COORDS  1.2479260000e+00  2.5257000000e-02 -5.6397500000e-01  2.1770220000e+00  2.4539300000e-01 -4.9650200000e-01  9.2106500000e-01  5.7868400000e-01 -1.2732800000e+00 -1.3311160000e+00 -9.5401000000e-02  6.1390600000e-01 -7.6304700000e-01  3.9991900000e-01  1.2039800000e+00 -9.0727100000e-01 -2.6174000000e-02 -2.4154400000e-01
+ENERGY -1.526537148539e+02
+FORCES  1.7193000000e-03  1.7724000000e-03 -1.5227000000e-03 -4.6909000000e-03 -6.4760000000e-04  1.1360000000e-04 -2.1174000000e-03 -3.7012000000e-03  5.3444000000e-03  1.2814500000e-02  4.6750000000e-04 -1.6296000000e-03 -4.2911000000e-03 -2.4590000000e-04  3.7610000000e-04 -3.4343000000e-03  2.3548000000e-03 -2.6818000000e-03
+
+JOB 24
+COORDS  3.5780000000e-01  1.1580830000e+00  6.4182500000e-01  1.0612510000e+00  1.7302140000e+00  3.3514400000e-01  6.9860900000e-01  7.6936100000e-01  1.4474150000e+00 -3.9960800000e-01 -1.2149320000e+00 -7.2166800000e-01 -1.3062100000e+00 -9.6779800000e-01 -5.3937900000e-01  1.1613200000e-01 -7.2476300000e-01 -8.1373000000e-02
+ENERGY -1.526568925398e+02
+FORCES  3.0539000000e-03  2.2844000000e-03 -1.1135000000e-03 -3.2880000000e-03 -2.8908000000e-03  2.4008000000e-03 -2.2689000000e-03 -1.4720000000e-03 -6.7644000000e-03 -2.3000000000e-04  1.2430700000e-02  5.2617000000e-03  1.9592000000e-03 -2.3728000000e-03 -8.9570000000e-04  7.7380000000e-04 -7.9795000000e-03  1.1111000000e-03
+
+JOB 25
+COORDS -1.0386400000e+00 -8.6447600000e-01  4.9724700000e-01 -1.9186150000e+00 -7.6105400000e-01  1.3506000000e-01 -6.0639700000e-01 -2.9052000000e-02  3.1986400000e-01  1.0135560000e+00  8.1387500000e-01 -4.3808100000e-01  1.0826630000e+00  6.7380600000e-01 -1.3824520000e+00  1.9166700000e+00  9.4146400000e-01 -1.4767000000e-01
+ENERGY -1.526596386051e+02
+FORCES  5.3148000000e-03  6.9379000000e-03 -2.6086000000e-03  3.8724000000e-03  4.6950000000e-04  1.3000000000e-05 -8.2192000000e-03 -4.5461000000e-03  2.0207000000e-03  2.3803000000e-03 -3.9860000000e-03 -9.6610000000e-04  5.2500000000e-05  1.5525000000e-03  4.2088000000e-03 -3.4007000000e-03 -4.2790000000e-04 -2.6678000000e-03
+
+JOB 26
+COORDS -1.2295700000e+00  5.7335300000e-01 -5.8246900000e-01 -6.1251000000e-01 -9.8315000000e-02 -2.9207200000e-01 -1.4998920000e+00  1.0150660000e+00  2.2254600000e-01  1.1743790000e+00 -5.0930900000e-01  4.8741900000e-01  1.0405060000e+00 -1.4482270000e+00  3.5802400000e-01  1.8959980000e+00 -4.5387100000e-01  1.1138570000e+00
+ENERGY -1.526563978993e+02
+FORCES  9.0605000000e-03 -9.8830000000e-04  7.7067000000e-03 -5.6707000000e-03 -3.5535000000e-03 -3.6472000000e-03 -3.3470000000e-04 -7.4100000000e-04 -2.7576000000e-03  2.3550000000e-03  1.3850000000e-04  1.6760000000e-03 -2.3457000000e-03  6.3353000000e-03  1.8000000000e-05 -3.0645000000e-03 -1.1910000000e-03 -2.9960000000e-03
+
+JOB 27
+COORDS -8.2888200000e-01 -1.1358130000e+00 -3.2881600000e-01 -3.6029000000e-02 -6.9631000000e-01 -2.1485000000e-02 -5.2320500000e-01 -1.9826880000e+00 -6.5377200000e-01  7.2927300000e-01  1.1091820000e+00  3.6291600000e-01  4.8828800000e-01  1.5138520000e+00 -4.7039100000e-01  1.5259370000e+00  1.5672970000e+00  6.3066400000e-01
+ENERGY -1.526606399297e+02
+FORCES  6.3874000000e-03  3.3567000000e-03  3.2742000000e-03 -5.5441000000e-03 -6.6189000000e-03 -4.9005000000e-03  6.6700000000e-05  3.5160000000e-03  1.3408000000e-03  1.2240000000e-04  3.4991000000e-03 -2.0551000000e-03  2.7817000000e-03 -2.3138000000e-03  4.3636000000e-03 -3.8141000000e-03 -1.4391000000e-03 -2.0230000000e-03
+
+JOB 28
+COORDS -7.3721200000e-01  1.2736960000e+00 -5.1758000000e-02 -1.5888030000e+00  1.1642480000e+00 -4.7489500000e-01 -3.7487200000e-01  3.8874900000e-01 -9.2040000000e-03  7.0570700000e-01 -1.1884900000e+00  6.5978000000e-02  1.4633600000e+00 -1.0899140000e+00 -5.1063100000e-01  1.0303340000e+00 -1.7068170000e+00  8.0231100000e-01
+ENERGY -1.526620409738e+02
+FORCES  2.4806000000e-03 -9.6232000000e-03  2.5320000000e-04  2.8937000000e-03 -4.4550000000e-04  1.2133000000e-03 -4.9783000000e-03  9.1056000000e-03 -2.1920000000e-03  3.5043000000e-03  2.2810000000e-04  1.6565000000e-03 -3.6015000000e-03 -1.0257000000e-03  3.3628000000e-03 -2.9900000000e-04  1.7606000000e-03 -4.2938000000e-03
+
+JOB 29
+COORDS -1.1062280000e+00  8.4165400000e-01  3.5479000000e-01 -4.6461100000e-01  1.4653800000e+00  6.9468200000e-01 -1.4358790000e+00  3.8932000000e-01  1.1312920000e+00  1.1295710000e+00 -8.9127500000e-01 -3.8868700000e-01  4.1949200000e-01 -3.4635800000e-01 -4.9444000000e-02  1.0876440000e+00 -7.7643800000e-01 -1.3380480000e+00
+ENERGY -1.526601278957e+02
+FORCES -1.8772000000e-03  2.5889000000e-03  4.6282000000e-03 -1.7854000000e-03 -6.2742000000e-03 -2.7305000000e-03  3.5723000000e-03  1.8367000000e-03 -4.5769000000e-03 -9.9048000000e-03  5.9866000000e-03 -1.8466000000e-03  9.1684000000e-03 -3.7837000000e-03  1.6925000000e-03  8.2670000000e-04 -3.5420000000e-04  2.8333000000e-03
+
+JOB 30
+COORDS -5.4991800000e-01  1.3840170000e+00 -3.4233000000e-02  2.1129800000e-01  1.9165870000e+00 -2.6477600000e-01 -2.5671300000e-01  4.8097500000e-01 -1.5579300000e-01  5.0906000000e-01 -1.3051240000e+00  5.4301000000e-02 -1.5776400000e-01 -1.7020940000e+00 -5.0605000000e-01  8.1213100000e-01 -2.0220250000e+00  6.1146700000e-01
+ENERGY -1.526592982665e+02
+FORCES  7.3607000000e-03 -6.9859000000e-03  1.0111000000e-03 -2.4370000000e-03 -1.3228000000e-03  7.3590000000e-04 -5.8838000000e-03  5.1762000000e-03 -4.5197000000e-03 -4.0980000000e-04 -3.1558000000e-03  3.3226000000e-03  2.9317000000e-03  4.4795000000e-03  3.2553000000e-03 -1.5618000000e-03  1.8089000000e-03 -3.8052000000e-03
+
+JOB 31
+COORDS -6.2348800000e-01 -2.6643400000e-01 -1.3322410000e+00 -1.0476010000e+00 -1.1129100000e+00 -1.1913920000e+00 -2.3986300000e-01 -4.6027000000e-02 -4.8342700000e-01  6.0933600000e-01  3.4209500000e-01  1.2298950000e+00  5.5790000000e-02 -7.7213000000e-02  1.8886810000e+00  1.4924180000e+00  2.7110000000e-02  1.4227270000e+00
+ENERGY -1.526608286112e+02
+FORCES  3.9987000000e-03  4.6560000000e-04  9.4582000000e-03  1.4079000000e-03  2.6133000000e-03  4.8060000000e-04 -5.9835000000e-03 -3.1649000000e-03 -8.5959000000e-03  2.7608000000e-03 -2.1285000000e-03  3.2563000000e-03  2.7183000000e-03  1.0404000000e-03 -4.6377000000e-03 -4.9022000000e-03  1.1742000000e-03  3.8400000000e-05
+
+JOB 32
+COORDS  3.9233700000e-01 -4.4662700000e-01  1.3483110000e+00  6.5419300000e-01  1.0571700000e-01  2.0849110000e+00 -3.1216000000e-02  1.5491400000e-01  7.3595200000e-01 -4.2473500000e-01  4.2413000000e-01 -1.3072690000e+00 -4.6246500000e-01 -4.8979300000e-01 -1.5893230000e+00  2.9296800000e-01  8.0258200000e-01 -1.8151150000e+00
+ENERGY -1.526609986232e+02
+FORCES -2.6315000000e-03  5.2360000000e-03 -5.0575000000e-03 -8.9910000000e-04 -8.8480000000e-04 -3.5565000000e-03  2.6994000000e-03 -3.5622000000e-03  9.2465000000e-03  4.0930000000e-03 -4.0633000000e-03 -3.5706000000e-03  8.6800000000e-05  4.9855000000e-03  8.2830000000e-04 -3.3487000000e-03 -1.7113000000e-03  2.1098000000e-03
+
+JOB 33
+COORDS  8.9407500000e-01 -3.3640700000e-01  1.1105010000e+00  2.1888800000e-01  3.0350700000e-01  8.8497000000e-01  1.4234760000e+00  9.8730000000e-02  1.7788000000e+00 -8.5820000000e-01  2.5671600000e-01 -1.0727220000e+00 -3.5138400000e-01  4.5627000000e-01 -1.8598360000e+00 -1.7670620000e+00  4.2026600000e-01 -1.3246200000e+00
+ENERGY -1.526579654970e+02
+FORCES -4.4094000000e-03  3.6912000000e-03 -2.3447000000e-03  5.4278000000e-03 -1.3052000000e-03  6.4210000000e-03 -2.4687000000e-03 -9.7140000000e-04 -3.3169000000e-03  5.0380000000e-04 -6.2550000000e-04 -5.1166000000e-03 -3.3868000000e-03 -1.9120000000e-04  3.0055000000e-03  4.3333000000e-03 -5.9790000000e-04  1.3518000000e-03
+
+JOB 34
+COORDS  9.0613300000e-01 -6.4294200000e-01 -1.0362680000e+00  5.4290600000e-01  1.7651900000e-01 -7.0043900000e-01  1.0980990000e+00 -1.1590460000e+00 -2.5331300000e-01 -8.7679500000e-01  6.0535300000e-01  9.1387900000e-01 -1.3765850000e+00  1.3879390000e+00  1.1462620000e+00 -7.0608500000e-01  1.7245700000e-01  1.7503540000e+00
+ENERGY -1.526577894300e+02
+FORCES -5.8878000000e-03  3.6857000000e-03  8.4947000000e-03  5.0372000000e-03 -2.0656000000e-03 -5.1544000000e-03  2.9800000000e-04  4.5660000000e-04 -2.1800000000e-03 -1.7246000000e-03 -2.3020000000e-04  3.9420000000e-03  2.5611000000e-03 -3.8253000000e-03 -1.0547000000e-03 -2.8380000000e-04  1.9788000000e-03 -4.0477000000e-03
+
+JOB 35
+COORDS -8.9227300000e-01  9.0217100000e-01 -6.0914900000e-01 -1.1108570000e+00  1.7595480000e+00 -2.4396700000e-01 -1.5928070000e+00  7.2275800000e-01 -1.2362810000e+00  9.5015400000e-01 -9.2706900000e-01  6.9011200000e-01  1.2605370000e+00 -1.7494280000e+00  3.1114200000e-01  6.1710100000e-01 -4.2933000000e-01 -5.6590000000e-02
+ENERGY -1.526594928103e+02
+FORCES -3.3202000000e-03  2.3026000000e-03  1.7701000000e-03 -2.1900000000e-04 -3.5268000000e-03 -2.6573000000e-03  3.1038000000e-03  1.0821000000e-03  2.7334000000e-03 -4.1256000000e-03  3.3061000000e-03 -5.2746000000e-03 -1.9499000000e-03  3.0678000000e-03  4.5900000000e-04  6.5109000000e-03 -6.2318000000e-03  2.9693000000e-03
+
+JOB 36
+COORDS -1.3813410000e+00  3.0488400000e-01 -5.5406700000e-01 -2.0293670000e+00  8.9804600000e-01 -1.7399800000e-01 -7.4837000000e-01  1.5868100000e-01  1.4892900000e-01  1.4030590000e+00 -3.8971300000e-01  4.7540100000e-01  1.1985020000e+00  3.5020400000e-01 -9.6360000000e-02  1.2122870000e+00 -7.1168000000e-02  1.3576520000e+00
+ENERGY -1.526549513707e+02
+FORCES  5.8180000000e-04 -1.8532000000e-03  4.4112000000e-03  3.7965000000e-03 -2.5753000000e-03 -7.5140000000e-04 -2.0847000000e-03  6.3931000000e-03 -3.0619000000e-03  2.7405000000e-03  4.2424000000e-03 -5.5550000000e-04 -2.5049000000e-03 -4.6070000000e-03  5.4830000000e-03 -2.5292000000e-03 -1.6000000000e-03 -5.5254000000e-03
+
+JOB 37
+COORDS -1.2693300000e-01 -8.3582900000e-01 -1.2217200000e+00  6.0625400000e-01 -1.4458500000e+00 -1.1408370000e+00  1.5938600000e-01 -2.0237800000e-01 -1.8797420000e+00  1.0132900000e-01  8.8219100000e-01  1.2771220000e+00  1.1842800000e-01  5.2578700000e-01  3.8891300000e-01 -5.0277400000e-01  3.1213500000e-01  1.7528620000e+00
+ENERGY -1.526602296004e+02
+FORCES  3.4606000000e-03 -2.9635000000e-03 -4.5236000000e-03 -3.6983000000e-03  3.7504000000e-03 -1.4730000000e-04 -8.9840000000e-04 -2.2128000000e-03  5.5986000000e-03 -4.1337000000e-03 -7.5271000000e-03 -6.0735000000e-03  3.0192000000e-03  6.8349000000e-03  5.3845000000e-03  2.2506000000e-03  2.1182000000e-03 -2.3870000000e-04
+
+JOB 38
+COORDS -6.1600900000e-01 -3.7227100000e-01  1.3068910000e+00  2.3958100000e-01 -7.6456600000e-01  1.4809640000e+00 -1.2240180000e+00 -1.1115600000e+00  1.3095990000e+00  6.2378700000e-01  4.6882100000e-01 -1.3748820000e+00 -2.4665700000e-01  1.2208700000e-01 -1.1790910000e+00  1.1397730000e+00  2.7836400000e-01 -5.9148100000e-01
+ENERGY -1.526554436172e+02
+FORCES  9.3580000000e-04 -4.6537000000e-03  2.7488000000e-03 -3.0197000000e-03  2.8593000000e-03 -3.0272000000e-03  2.9379000000e-03  3.8365000000e-03 -1.2624000000e-03 -4.8273000000e-03 -1.7375000000e-03  8.9363000000e-03  2.6500000000e-03  2.1720000000e-04 -5.0893000000e-03  1.3233000000e-03 -5.2180000000e-04 -2.3061000000e-03
+
+JOB 39
+COORDS  2.5933400000e-01 -1.0807240000e+00 -1.1416050000e+00 -5.7426400000e-01 -9.2373900000e-01 -6.9809400000e-01  6.7454700000e-01 -2.1931300000e-01 -1.1840470000e+00 -2.7952300000e-01  1.0554960000e+00  1.1519410000e+00  2.5310300000e-01  3.2959500000e-01  1.4769160000e+00 -1.6363000000e-02  1.1554710000e+00  2.3707300000e-01
+ENERGY -1.526526473868e+02
+FORCES -3.2314000000e-03  3.8784000000e-03  1.4589000000e-03  5.0984000000e-03 -5.6200000000e-04 -2.3355000000e-03 -2.5389000000e-03 -1.2293000000e-03  3.0675000000e-03  4.9610000000e-03 -3.0266000000e-03 -1.3347000000e-03 -3.2783000000e-03  3.7057000000e-03 -1.5020000000e-03 -1.0107000000e-03 -2.7662000000e-03  6.4590000000e-04
+
+JOB 40
+COORDS -4.5123600000e-01 -1.2663420000e+00 -8.4807900000e-01 -3.7113700000e-01 -6.8423600000e-01 -9.2455000000e-02 -4.8546000000e-02 -7.8134900000e-01 -1.5683950000e+00  4.7681600000e-01  1.1782510000e+00  8.0470200000e-01 -4.4448600000e-01  1.2756820000e+00  5.6399200000e-01  5.1848600000e-01  1.4669240000e+00  1.7163840000e+00
+ENERGY -1.526568432212e+02
+FORCES  6.4335000000e-03  5.4058000000e-03  2.0441000000e-03 -6.4185000000e-03 -1.3764000000e-03 -3.7210000000e-03 -2.7441000000e-03 -1.9405000000e-03  1.8002000000e-03 -1.8302000000e-03  4.2776000000e-03  4.1240000000e-03  5.1650000000e-03 -5.2256000000e-03  3.0630000000e-04 -6.0570000000e-04 -1.1408000000e-03 -4.5536000000e-03
+
+JOB 41
+COORDS  3.3636000000e-02 -4.7239500000e-01  1.3995410000e+00  2.0191200000e-01 -1.3871300000e-01  2.2807740000e+00 -7.8617900000e-01 -9.5990000000e-01  1.4800100000e+00  3.7047000000e-02  4.9272400000e-01 -1.5182960000e+00 -7.3947200000e-01  9.3740900000e-01 -1.1784350000e+00  2.8490200000e-01 -1.2012300000e-01 -8.2604000000e-01
+ENERGY -1.526589837988e+02
+FORCES -1.1450000000e-03  2.9440000000e-04  5.2918000000e-03 -1.8146000000e-03 -1.9798000000e-03 -3.4468000000e-03  3.7322000000e-03  2.9579000000e-03 -1.2300000000e-03 -9.6750000000e-04 -7.8190000000e-04  9.3553000000e-03  1.3739000000e-03 -1.0219000000e-03 -2.5901000000e-03 -1.1789000000e-03  5.3130000000e-04 -7.3802000000e-03
+
+JOB 42
+COORDS  2.3151400000e-01  1.1830840000e+00 -9.8232900000e-01 -6.6847800000e-01  1.4003380000e+00 -7.3933300000e-01  7.7027200000e-01  1.7903980000e+00 -4.7523800000e-01 -1.9263500000e-01 -1.2456890000e+00  1.0036230000e+00 -8.2301600000e-01 -1.7255380000e+00  4.6641100000e-01  6.7973000000e-02 -5.0160900000e-01  4.6079800000e-01
+ENERGY -1.526597437167e+02
+FORCES -1.1017000000e-03  7.2792000000e-03 -2.3400000000e-05  5.0332000000e-03 -3.1332000000e-03 -1.2650000000e-04 -3.1100000000e-03 -4.0025000000e-03 -1.8274000000e-03  6.6830000000e-04  2.8296000000e-03 -7.7303000000e-03  1.4979000000e-03  1.8982000000e-03  2.2339000000e-03 -2.9877000000e-03 -4.8713000000e-03  7.4736000000e-03
+
+JOB 43
+COORDS  1.0032190000e+00 -7.5134300000e-01 -9.4055400000e-01  1.1512300000e-01 -7.8978200000e-01 -5.8553300000e-01  9.5805100000e-01 -1.2524540000e+00 -1.7548510000e+00 -9.8559100000e-01  7.2361100000e-01  9.3348900000e-01 -2.1861200000e-01  7.0266200000e-01  1.5057970000e+00 -1.2291970000e+00  1.6483820000e+00  8.9242300000e-01
+ENERGY -1.526591076590e+02
+FORCES -5.7182000000e-03 -2.1490000000e-04 -4.8150000000e-04  6.5759000000e-03 -3.7507000000e-03 -2.8879000000e-03 -4.5340000000e-04  2.1511000000e-03  2.9520000000e-03  2.9800000000e-03  5.7230000000e-03  1.7710000000e-03 -4.2326000000e-03 -3.2080000000e-04 -2.4167000000e-03  8.4840000000e-04 -3.5876000000e-03  1.0632000000e-03
+
+JOB 44
+COORDS  8.3601600000e-01 -3.5479000000e-02 -1.2748670000e+00  6.0227600000e-01  3.2293500000e-01 -2.1311020000e+00  1.1415330000e+00 -9.2319100000e-01 -1.4615730000e+00 -8.9655600000e-01  1.0666900000e-01  1.3306850000e+00 -8.2533900000e-01 -8.1718900000e-01  1.5707820000e+00  2.3900000000e-04  3.7116800000e-01  1.1256700000e+00
+ENERGY -1.526558454023e+02
+FORCES -1.9872000000e-03 -1.6737000000e-03 -4.8385000000e-03  1.5862000000e-03 -1.9291000000e-03  3.1904000000e-03 -1.2698000000e-03  3.6050000000e-03  1.3932000000e-03  5.9437000000e-03 -2.4833000000e-03 -4.5075000000e-03 -4.7530000000e-04  2.9215000000e-03 -4.7300000000e-04 -3.7976000000e-03 -4.4040000000e-04  5.2355000000e-03
+
+JOB 45
+COORDS -4.2925000000e-01 -6.5121100000e-01 -1.4032540000e+00 -1.1331890000e+00 -1.2649490000e+00 -1.1934270000e+00  1.4771700000e-01 -6.7772400000e-01 -6.3994600000e-01  4.8518300000e-01  6.5474400000e-01  1.3156500000e+00  4.9174500000e-01  1.6066820000e+00  1.4156640000e+00 -3.1836800000e-01  3.7303100000e-01  1.7528860000e+00
+ENERGY -1.526577052066e+02
+FORCES  1.7674000000e-03 -1.4870000000e-04  6.1007000000e-03  2.3097000000e-03  2.6343000000e-03  1.3600000000e-05 -3.7757000000e-03 -4.0423000000e-03 -5.8955000000e-03 -3.7572000000e-03  5.4995000000e-03  1.3703000000e-03 -1.7730000000e-04 -4.0845000000e-03  8.4690000000e-04  3.6330000000e-03  1.4170000000e-04 -2.4360000000e-03
+
+JOB 46
+COORDS -5.9334500000e-01  1.4498140000e+00 -4.3483000000e-01 -2.6343500000e-01  5.6465700000e-01 -2.8026800000e-01 -1.5336410000e+00  1.3882400000e+00 -2.6664900000e-01  6.1599600000e-01 -1.3457280000e+00  3.7788800000e-01  4.1049300000e-01 -1.4181000000e+00  1.3099630000e+00  1.0201180000e+00 -2.1844300000e+00  1.5540900000e-01
+ENERGY -1.526603971872e+02
+FORCES -1.5750000000e-04 -6.7267000000e-03  7.5570000000e-04 -4.2634000000e-03  8.4439000000e-03 -4.5100000000e-04  3.1875000000e-03  1.5310000000e-04 -1.0210000000e-04  2.6285000000e-03 -5.2093000000e-03  2.1563000000e-03  3.7680000000e-04  2.3190000000e-04 -4.7181000000e-03 -1.7719000000e-03  3.1072000000e-03  2.3592000000e-03
+
+JOB 47
+COORDS  3.7360600000e-01 -2.9154300000e-01  1.5446820000e+00  7.8699400000e-01 -1.1071640000e+00  1.8277100000e+00  4.3541600000e-01 -3.0997200000e-01  5.8965700000e-01 -3.6247400000e-01  3.9785500000e-01 -1.4820290000e+00 -8.2478000000e-02 -3.3162800000e-01 -2.0349200000e+00 -1.2691380000e+00  1.9213500000e-01 -1.2542750000e+00
+ENERGY -1.526589043664e+02
+FORCES  1.8034000000e-03 -6.6880000000e-04 -5.2680000000e-03 -1.6892000000e-03  2.8275000000e-03 -1.9780000000e-03  7.0650000000e-04 -3.9795000000e-03  8.5200000000e-03 -5.4561000000e-03 -1.1642000000e-03 -4.5634000000e-03 -6.6910000000e-04  2.7970000000e-03  4.4198000000e-03  5.3044000000e-03  1.8790000000e-04 -1.1304000000e-03
+
+JOB 48
+COORDS  7.3545000000e-02 -7.7129700000e-01 -1.4181540000e+00  5.1338200000e-01 -4.5824500000e-01 -6.2772800000e-01  4.7716700000e-01 -2.7475700000e-01 -2.1300320000e+00 -1.8716700000e-01  7.4597400000e-01  1.3954930000e+00  1.0265400000e-01 -1.6434000000e-01  1.4551910000e+00  5.7419900000e-01  1.2585410000e+00  1.6672090000e+00
+ENERGY -1.526534930415e+02
+FORCES  1.7668000000e-03  6.6583000000e-03  1.4696000000e-03  5.9250000000e-04 -5.3981000000e-03 -1.4818000000e-03 -1.3839000000e-03 -2.1812000000e-03  2.5998000000e-03  1.7668000000e-03 -1.1082000000e-03  4.2871000000e-03  5.8200000000e-04  4.8065000000e-03 -4.2414000000e-03 -3.3243000000e-03 -2.7774000000e-03 -2.6332000000e-03
+
+JOB 49
+COORDS  7.5916600000e-01 -1.4520110000e+00 -7.9509000000e-02  9.0440900000e-01 -1.6734570000e+00  8.4032700000e-01  1.2439560000e+00 -6.3696900000e-01 -2.0957600000e-01 -7.8710500000e-01  1.4555230000e+00  8.5503000000e-02 -6.2549000000e-01  5.1219500000e-01  6.9835000000e-02 -1.1045580000e+00  1.6592640000e+00 -7.9423900000e-01
+ENERGY -1.526589142299e+02
+FORCES  6.2592000000e-03 -3.5520000000e-04  3.3865000000e-03 -1.1705000000e-03  1.5073000000e-03 -4.4533000000e-03 -5.3760000000e-03 -3.5742000000e-03  7.0270000000e-04 -2.2600000000e-03 -4.9453000000e-03 -3.5942000000e-03  8.6180000000e-04  8.0228000000e-03  6.2930000000e-04  1.6855000000e-03 -6.5520000000e-04  3.3290000000e-03
+
+JOB 50
+COORDS -5.7163700000e-01 -1.2138320000e+00 -8.7008300000e-01  2.8012300000e-01 -1.5019980000e+00 -1.1982550000e+00 -1.1468680000e+00 -1.2464330000e+00 -1.6344650000e+00  5.4372300000e-01  1.3024670000e+00  9.4408700000e-01  1.1800560000e+00  7.6130700000e-01  1.4114820000e+00  7.3706000000e-02  6.8770300000e-01  3.8072100000e-01
+ENERGY -1.526598242073e+02
+FORCES -3.8100000000e-04 -3.4742000000e-03 -6.3113000000e-03 -3.8300000000e-03  2.0044000000e-03  2.1064000000e-03  3.0415000000e-03 -3.2550000000e-04  3.2231000000e-03 -1.6610000000e-03 -6.7539000000e-03 -1.5068000000e-03 -1.5675000000e-03  2.0012000000e-03 -1.8280000000e-03  4.3980000000e-03  6.5480000000e-03  4.3166000000e-03
+
+JOB 51
+COORDS -2.6865300000e-01  9.3469000000e-02 -1.5850900000e+00  6.5577500000e-01 -1.4808500000e-01 -1.5275000000e+00 -5.4063500000e-01 -2.0345400000e-01 -2.4534760000e+00  2.2000800000e-01  1.2040000000e-03  1.6579810000e+00 -4.3831400000e-01 -6.8478500000e-01  1.5472420000e+00  1.0310110000e+00 -3.8974800000e-01  1.3329220000e+00
+ENERGY -1.526527785792e+02
+FORCES  3.4024000000e-03 -7.2730000000e-04 -3.3179000000e-03 -3.6269000000e-03 -6.9100000000e-05  1.1070000000e-04  8.7130000000e-04  1.1824000000e-03  4.3583000000e-03 -1.4077000000e-03 -4.0332000000e-03 -4.0921000000e-03  3.1466000000e-03  1.9958000000e-03  2.2979000000e-03 -2.3857000000e-03  1.6513000000e-03  6.4300000000e-04
+
+JOB 52
+COORDS  5.1313100000e-01  1.5045610000e+00 -5.0254100000e-01  6.6055500000e-01  5.5897700000e-01 -5.2172700000e-01  6.2805500000e-01  1.7838440000e+00 -1.4108500000e+00 -4.9604000000e-01 -1.4342370000e+00  5.1216000000e-01 -1.3819070000e+00 -1.3344130000e+00  8.6073900000e-01 -1.4251100000e-01 -2.1968830000e+00  9.7000300000e-01
+ENERGY -1.526586365462e+02
+FORCES  2.0220000000e-04 -5.1105000000e-03 -2.2560000000e-03  2.1377000000e-03  7.3256000000e-03 -2.2817000000e-03 -5.4470000000e-04 -1.2456000000e-03  3.3083000000e-03 -3.8896000000e-03 -2.3859000000e-03  4.4351000000e-03  3.7043000000e-03 -1.8435000000e-03 -1.2240000000e-03 -1.6100000000e-03  3.2599000000e-03 -1.9817000000e-03
+
+JOB 53
+COORDS  4.2264300000e-01  1.3915700000e-01  1.5378690000e+00  9.3919200000e-01  1.0618900000e-01  2.3430530000e+00 -3.4989800000e-01  6.5477000000e-01  1.7692920000e+00 -4.2165400000e-01 -1.9968800000e-01 -1.6579710000e+00  2.5798200000e-01 -4.6009500000e-01 -1.0362680000e+00 -8.1658400000e-01  5.8062000000e-01 -1.2688930000e+00
+ENERGY -1.526577089722e+02
+FORCES -8.5830000000e-04  1.6797000000e-03  5.9856000000e-03 -2.6033000000e-03  3.0530000000e-04 -3.2761000000e-03  3.4911000000e-03 -1.7716000000e-03 -1.6949000000e-03  2.6193000000e-03  1.9587000000e-03  6.8063000000e-03 -2.6647000000e-03  3.5300000000e-05 -5.9626000000e-03  1.5900000000e-05 -2.2074000000e-03 -1.8583000000e-03
+
+JOB 54
+COORDS  1.2211350000e+00 -1.0038510000e+00 -5.8080900000e-01  1.6217490000e+00 -9.7896300000e-01 -1.4497850000e+00  7.2743100000e-01 -1.8600700000e-01 -5.2064000000e-01 -1.1684810000e+00  9.9145100000e-01  6.2416000000e-01 -1.4659750000e+00  4.7922100000e-01  1.3760570000e+00 -1.7953700000e+00  7.8594600000e-01 -6.9389000000e-02
+ENERGY -1.526589083959e+02
+FORCES -1.1754000000e-03  4.9859000000e-03 -1.1623000000e-03 -2.0720000000e-03  2.1730000000e-04  3.1168000000e-03  4.6132000000e-03 -5.9866000000e-03 -3.8377000000e-03 -5.9899000000e-03 -2.8069000000e-03  2.9303000000e-03  6.3880000000e-04  2.8221000000e-03 -3.4949000000e-03  3.9853000000e-03  7.6820000000e-04  2.4479000000e-03
+
+JOB 55
+COORDS -8.4684300000e-01 -9.6742100000e-01 -1.2349860000e+00  1.5428000000e-02 -1.0698560000e+00 -8.3221100000e-01 -1.3777140000e+00 -5.4312700000e-01 -5.6090700000e-01  7.6649500000e-01  9.3912700000e-01  1.1651370000e+00  1.4484540000e+00  9.1693700000e-01  4.9381700000e-01  1.2313380000e+00  1.1599110000e+00  1.9722350000e+00
+ENERGY -1.526567659632e+02
+FORCES  1.1469000000e-03  2.3115000000e-03  6.7481000000e-03 -1.8618000000e-03 -4.2500000000e-05 -3.5026000000e-03  5.1940000000e-04 -2.5928000000e-03 -4.0723000000e-03  5.3308000000e-03  2.6741000000e-03  1.5807000000e-03 -3.2766000000e-03 -1.4912000000e-03  2.9672000000e-03 -1.8586000000e-03 -8.5910000000e-04 -3.7210000000e-03
+
+JOB 56
+COORDS  1.2804520000e+00  9.7837700000e-01  7.6480700000e-01  1.6760700000e+00  1.0969300000e-01  8.3626900000e-01  1.2207580000e+00  1.1381480000e+00 -1.7707500000e-01 -1.2723100000e+00 -9.3437600000e-01 -7.8293700000e-01 -1.6434720000e+00 -2.3810900000e-01 -2.4101300000e-01 -1.3507510000e+00 -1.7234290000e+00 -2.4677100000e-01
+ENERGY -1.526564421810e+02
+FORCES  1.0699000000e-03 -4.2509000000e-03 -5.1445000000e-03 -9.4070000000e-04  3.5626000000e-03  7.4280000000e-04  7.4190000000e-04  7.9630000000e-04  4.3475000000e-03 -2.1637000000e-03  2.3610000000e-04  5.5723000000e-03  7.0230000000e-04 -3.2871000000e-03 -3.2526000000e-03  5.9010000000e-04  2.9429000000e-03 -2.2655000000e-03
+
+JOB 57
+COORDS  2.5610400000e-01  1.2738210000e+00  1.2706730000e+00  1.0100630000e+00  7.7930300000e-01  9.4937900000e-01  5.0319400000e-01  2.1911380000e+00  1.1535890000e+00 -3.4894100000e-01 -1.2943920000e+00 -1.2926880000e+00 -5.7158900000e-01 -1.7603120000e+00 -4.8672400000e-01  5.2804800000e-01 -9.4534800000e-01 -1.1336610000e+00
+ENERGY -1.526527058430e+02
+FORCES  3.5315000000e-03  2.8634000000e-03 -2.0157000000e-03 -3.1324000000e-03  6.9750000000e-04  5.7610000000e-04 -8.8640000000e-04 -4.0021000000e-03  6.1140000000e-04  1.3431000000e-03  5.4010000000e-04  4.8675000000e-03  1.5586000000e-03  1.1532000000e-03 -3.8113000000e-03 -2.4143000000e-03 -1.2521000000e-03 -2.2790000000e-04
+
+JOB 58
+COORDS  8.5096600000e-01 -1.3501290000e+00 -1.1286170000e+00  1.4535300000e-01 -1.9565080000e+00 -9.0356700000e-01  1.3552250000e+00 -1.2580590000e+00 -3.2023700000e-01 -8.8533400000e-01  1.3322570000e+00  1.1059330000e+00 -1.0026070000e+00  2.2711120000e+00  9.6091300000e-01 -3.3368000000e-02  1.1339630000e+00  7.1726000000e-01
+ENERGY -1.526551705625e+02
+FORCES -1.5646000000e-03 -3.7946000000e-03  3.7406000000e-03  3.5510000000e-03  2.2605000000e-03 -1.1868000000e-03 -2.3492000000e-03  1.2199000000e-03 -3.2841000000e-03  2.7940000000e-03  3.1994000000e-03 -3.5009000000e-03  4.6940000000e-04 -3.7183000000e-03  7.6970000000e-04 -2.9006000000e-03  8.3310000000e-04  3.4615000000e-03
+
+JOB 59
+COORDS -9.2874600000e-01  1.7237070000e+00 -2.5898100000e-01 -9.1875800000e-01  2.5640180000e+00  1.9928600000e-01 -1.4060240000e+00  1.1363870000e+00  3.2710100000e-01  9.8269300000e-01 -1.7103740000e+00  2.4608400000e-01  6.6648800000e-01 -2.6128980000e+00  2.0489100000e-01  8.0541200000e-01 -1.3540030000e+00 -6.2443500000e-01
+ENERGY -1.526555642986e+02
+FORCES -1.3735000000e-03  1.0755000000e-03  5.2020000000e-03 -3.2030000000e-04 -3.2559000000e-03 -1.8893000000e-03  1.2246000000e-03  2.7968000000e-03 -3.0518000000e-03 -1.2345000000e-03 -1.5610000000e-03 -4.4583000000e-03  9.9160000000e-04  3.8026000000e-03  3.4110000000e-04  7.1220000000e-04 -2.8580000000e-03  3.8564000000e-03
+
+JOB 60
+COORDS  1.7957100000e-01  1.2033090000e+00 -1.5602450000e+00 -5.5437200000e-01  6.8995500000e-01 -1.8979250000e+00 -1.1933300000e-01  2.1112480000e+00 -1.6105880000e+00 -1.3814700000e-01 -1.2506630000e+00  1.6341580000e+00  2.7279300000e-01 -1.6817710000e+00  8.8482100000e-01 -2.0940700000e-01 -3.3243600000e-01  1.3733630000e+00
+ENERGY -1.526563528177e+02
+FORCES -4.0020000000e-03  2.7664000000e-03 -3.3857000000e-03  3.3507000000e-03  1.9013000000e-03  2.1996000000e-03  1.1282000000e-03 -4.0408000000e-03  3.8280000000e-04  2.5170000000e-03  2.9508000000e-03 -4.7137000000e-03 -2.1543000000e-03  7.5880000000e-04  3.1064000000e-03 -8.3950000000e-04 -4.3366000000e-03  2.4106000000e-03
+
+JOB 61
+COORDS  4.6962300000e-01 -1.6531840000e+00 -1.0609080000e+00  8.3267000000e-01 -1.4304800000e+00 -2.0368400000e-01  1.1893620000e+00 -1.5008470000e+00 -1.6732810000e+00 -4.8894900000e-01  1.5933880000e+00  1.0884740000e+00 -7.3276600000e-01  2.5179340000e+00  1.1332100000e+00 -9.4222400000e-01  1.2629190000e+00  3.1286800000e-01
+ENERGY -1.526564556006e+02
+FORCES  5.2199000000e-03  1.0272000000e-03  1.5150000000e-03 -1.7675000000e-03 -1.4091000000e-03 -4.3459000000e-03 -3.0331000000e-03 -6.2670000000e-04  2.3125000000e-03 -3.4504000000e-03  2.4776000000e-03 -3.1433000000e-03  9.4420000000e-04 -3.6767000000e-03 -3.1160000000e-04  2.0869000000e-03  2.2076000000e-03  3.9733000000e-03
+
+JOB 62
+COORDS -2.5506200000e-01  1.3693660000e+00 -1.6628790000e+00  2.4351900000e-01  7.5375700000e-01 -2.2001630000e+00 -9.1463000000e-02  1.0890860000e+00 -7.6237400000e-01  1.5977100000e-01 -1.3171550000e+00  1.6605500000e+00  7.6476000000e-01 -6.1687100000e-01  1.4159650000e+00  6.7825600000e-01 -2.1184850000e+00  1.5879130000e+00
+ENERGY -1.526535201096e+02
+FORCES  1.5492000000e-03 -4.2826000000e-03  1.4414000000e-03 -1.6555000000e-03  2.7417000000e-03  2.2880000000e-03  8.1940000000e-04  1.7226000000e-03 -3.4502000000e-03  4.9233000000e-03 -1.5777000000e-03  3.4900000000e-05 -3.4066000000e-03 -2.1937000000e-03 -5.3980000000e-04 -2.2298000000e-03  3.5897000000e-03  2.2570000000e-04
+
+JOB 63
+COORDS  1.5095700000e-01 -1.7272250000e+00  1.4815470000e+00 -5.6500800000e-01 -1.2182970000e+00  1.1012600000e+00  9.3068400000e-01 -1.4339270000e+00  1.0101290000e+00 -1.4785300000e-01  1.6260700000e+00 -1.4027440000e+00  5.5338800000e-01  2.0579920000e+00 -1.8905320000e+00 -8.9748000000e-01  2.2151800000e+00 -1.4878320000e+00
+ENERGY -1.526559380761e+02
+FORCES  1.9440000000e-04  4.2377000000e-03 -4.3451000000e-03  2.2512000000e-03 -2.8420000000e-03  2.3822000000e-03 -2.4532000000e-03 -1.9022000000e-03  2.3847000000e-03 -1.9400000000e-04  4.8223000000e-03 -2.8537000000e-03 -2.9182000000e-03 -1.7964000000e-03  2.0536000000e-03  3.1198000000e-03 -2.5194000000e-03  3.7820000000e-04
+
+JOB 64
+COORDS  4.0765500000e-01  1.1023150000e+00 -1.8276870000e+00  1.0146650000e+00  1.8210990000e+00 -2.0040950000e+00  3.2041000000e-01  6.5042000000e-01 -2.6669790000e+00 -4.9008800000e-01 -1.0951000000e+00  1.9153260000e+00  1.0331000000e-01 -1.7443680000e+00  2.2928990000e+00 -1.0742200000e-01 -8.8726400000e-01  1.0629160000e+00
+ENERGY -1.526556844708e+02
+FORCES  1.8937000000e-03  2.1406000000e-03 -4.7689000000e-03 -2.4540000000e-03 -3.1610000000e-03  5.3520000000e-04  5.6130000000e-04  1.7038000000e-03  3.6791000000e-03  3.9456000000e-03 -9.0580000000e-04 -2.7529000000e-03 -2.3156000000e-03  2.4567000000e-03 -1.4128000000e-03 -1.6310000000e-03 -2.2343000000e-03  4.7203000000e-03
+
+JOB 65
+COORDS  6.0284400000e-01  1.2185750000e+00 -1.8167550000e+00  1.4908780000e+00  8.6211500000e-01 -1.7929890000e+00  6.8292000000e-01  2.0885730000e+00 -1.4257020000e+00 -6.2324500000e-01 -1.2118930000e+00  1.8356730000e+00 -4.1908500000e-01 -2.0892400000e+00  1.5119260000e+00 -1.4412260000e+00 -9.7844700000e-01  1.3967650000e+00
+ENERGY -1.526546550154e+02
+FORCES  4.2029000000e-03  2.0300000000e-03  2.4605000000e-03 -3.5300000000e-03  1.4464000000e-03 -5.4470000000e-04 -4.0420000000e-04 -3.3519000000e-03 -1.9179000000e-03 -2.5947000000e-03 -2.2289000000e-03 -3.9965000000e-03 -6.7360000000e-04  3.3303000000e-03  1.5535000000e-03  2.9996000000e-03 -1.2259000000e-03  2.4452000000e-03
+
+JOB 66
+COORDS  6.2647200000e-01 -7.0823700000e-01 -2.0413710000e+00 -9.1201000000e-02 -1.3258620000e+00 -1.9009580000e+00  1.0415830000e+00 -1.0029420000e+00 -2.8519660000e+00 -6.3768700000e-01  7.8715600000e-01  2.1313630000e+00 -1.0026270000e+00  1.3086900000e-01  1.5377830000e+00  2.4192800000e-01  9.5423000000e-01  1.7928430000e+00
+ENERGY -1.526549874464e+02
+FORCES -8.7510000000e-04 -3.8158000000e-03 -3.8185000000e-03  2.8720000000e-03  2.7799000000e-03  1.3420000000e-04 -1.8187000000e-03  1.1244000000e-03  3.3738000000e-03  2.6329000000e-03 -1.7701000000e-03 -4.6095000000e-03  8.3840000000e-04  2.1910000000e-03  2.7056000000e-03 -3.6495000000e-03 -5.0940000000e-04  2.2143000000e-03
+
+JOB 67
+COORDS  1.1154080000e+00  1.9870840000e+00 -8.1068800000e-01  1.7049600000e+00  1.2572710000e+00 -1.0005110000e+00  3.5789500000e-01  1.5804670000e+00 -3.8989100000e-01 -1.1451160000e+00 -1.9094430000e+00  8.4801600000e-01 -3.8167000000e-01 -2.4827840000e+00  9.1629300000e-01 -1.1871120000e+00 -1.6751110000e+00 -7.9107000000e-02
+ENERGY -1.526541816639e+02
+FORCES -6.5680000000e-04 -4.2940000000e-03  1.7048000000e-03 -2.5457000000e-03  2.7418000000e-03  5.0920000000e-04  3.2381000000e-03  1.5946000000e-03 -2.6139000000e-03  2.2593000000e-03 -2.7274000000e-03 -3.2247000000e-03 -3.0805000000e-03  2.7794000000e-03 -4.6580000000e-04  7.8560000000e-04 -9.4400000000e-05  4.0905000000e-03
+
+JOB 68
+COORDS  3.0517600000e-01 -2.2721400000e-01  2.5925880000e+00  6.8677700000e-01 -7.7230000000e-03  1.7426250000e+00  7.7632400000e-01  3.2460800000e-01  3.2168820000e+00 -3.3771200000e-01  1.6389400000e-01 -2.5180250000e+00 -5.8427000000e-02 -2.2667100000e-01 -3.3460900000e+00 -9.4394900000e-01  8.5934200000e-01 -2.7730960000e+00
+ENERGY -1.526547999229e+02
+FORCES  3.3390000000e-03  2.9968000000e-03 -1.6566000000e-03 -1.2539000000e-03 -7.5790000000e-04  4.3451000000e-03 -1.9011000000e-03 -2.1778000000e-03 -2.4030000000e-03 -1.7507000000e-03  1.0049000000e-03 -4.6627000000e-03 -1.0944000000e-03  1.7065000000e-03  3.3779000000e-03  2.6610000000e-03 -2.7727000000e-03  9.9920000000e-04
+
+JOB 69
+COORDS  6.7354900000e-01 -2.0255370000e+00 -1.5571660000e+00  3.9792100000e-01 -2.8878560000e+00 -1.2462530000e+00  1.6275210000e+00 -2.0832700000e+00 -1.6104240000e+00 -6.9332300000e-01  2.0221840000e+00  1.5535560000e+00 -1.1345200000e-01  2.7576380000e+00  1.3558490000e+00 -1.5735480000e+00  2.3975250000e+00  1.5300140000e+00
+ENERGY -1.526535387088e+02
+FORCES  2.6612000000e-03 -3.4862000000e-03  1.6560000000e-03  1.1298000000e-03  3.3619000000e-03 -1.4864000000e-03 -3.8084000000e-03  1.9040000000e-04  4.3000000000e-06 -1.2300000000e-03  4.2629000000e-03 -1.4818000000e-03 -2.3027000000e-03 -2.8775000000e-03  1.0130000000e-03  3.5501000000e-03 -1.4516000000e-03  2.9480000000e-04
+
+JOB 70
+COORDS  3.9961400000e-01  1.1085500000e+00 -2.4659670000e+00  1.0701520000e+00  5.1054500000e-01 -2.7961190000e+00  5.9654800000e-01  1.9456220000e+00 -2.8863950000e+00 -4.5772700000e-01 -1.1884150000e+00  2.4744600000e+00 -1.0354410000e+00 -8.2953400000e-01  3.1480190000e+00  2.3060600000e-01 -5.3096800000e-01  2.3735010000e+00
+ENERGY -1.526540661755e+02
+FORCES  3.3754000000e-03  6.5860000000e-04 -3.2918000000e-03 -2.6340000000e-03  2.6336000000e-03  1.3804000000e-03 -7.9370000000e-04 -3.3767000000e-03  1.8444000000e-03  2.8630000000e-04  4.5073000000e-03  1.7480000000e-03  2.3557000000e-03 -1.5394000000e-03 -2.5559000000e-03 -2.5896000000e-03 -2.8833000000e-03  8.7490000000e-04
+
+JOB 71
+COORDS  8.8863200000e-01  2.6871310000e+00  3.8779900000e-01  1.6878590000e+00  2.8188270000e+00  8.9782200000e-01  2.2562100000e-01  3.2069680000e+00  8.4213100000e-01 -9.3032000000e-01 -2.7076770000e+00 -5.0332400000e-01  1.3993000000e-02 -2.6919020000e+00 -3.4757800000e-01 -1.3013650000e+00 -3.0572090000e+00  3.0685200000e-01
+ENERGY -1.526538640474e+02
+FORCES  2.8230000000e-04  2.7767000000e-03  3.7855000000e-03 -3.2255000000e-03 -6.9890000000e-04 -2.0639000000e-03  2.8269000000e-03 -2.0786000000e-03 -1.7693000000e-03  2.5462000000e-03 -8.0750000000e-04  3.9006000000e-03 -3.8555000000e-03 -5.0180000000e-04 -5.9010000000e-04  1.4255000000e-03  1.3100000000e-03 -3.2627000000e-03
+
+JOB 72
+COORDS -2.3357000000e-01 -2.9294490000e+00  3.0481600000e-01 -1.1414460000e+00 -2.6292080000e+00  2.6182100000e-01 -1.2983000000e-01 -3.4908820000e+00 -4.6347000000e-01  3.0931600000e-01  2.9543030000e+00 -1.9291700000e-01 -1.1447500000e-01  3.6079710000e+00 -7.4911200000e-01  2.5483900000e-01  2.1408260000e+00 -6.9443400000e-01
+ENERGY -1.526540211094e+02
+FORCES -3.3430000000e-03 -1.4148000000e-03 -2.9529000000e-03  3.8145000000e-03 -1.0859000000e-03 -5.6500000000e-05 -4.2220000000e-04  2.4708000000e-03  3.0752000000e-03 -1.6841000000e-03 -8.6850000000e-04 -4.1944000000e-03  1.6625000000e-03 -2.6866000000e-03  2.2623000000e-03 -2.7600000000e-05  3.5850000000e-03  1.8663000000e-03
+
+JOB 73
+COORDS -4.4346000000e-01 -4.7071000000e-02 -2.9335880000e+00 -3.0328300000e-01 -4.8854400000e-01 -3.7712540000e+00 -7.5676700000e-01 -7.3667900000e-01 -2.3483430000e+00  4.1894100000e-01  6.4851000000e-02  2.9921450000e+00  8.1780900000e-01 -2.2626100000e-01  2.1721510000e+00  6.0374600000e-01  1.0033180000e+00  3.0290110000e+00
+ENERGY -1.526544196761e+02
+FORCES -1.0439000000e-03 -4.6394000000e-03 -1.3490000000e-03 -5.3140000000e-04  1.7993000000e-03  3.4775000000e-03  1.6025000000e-03  2.8868000000e-03 -2.2371000000e-03  2.4624000000e-03  2.9427000000e-03 -3.2761000000e-03 -1.7519000000e-03  8.8430000000e-04  3.3818000000e-03 -7.3770000000e-04 -3.8737000000e-03  2.9000000000e-06
+
+JOB 74
+COORDS  1.5142300000e-01 -3.1020100000e-01  2.9377370000e+00 -7.6288900000e-01 -4.6515900000e-01  2.7005580000e+00  1.2320700000e-01 -8.4344000000e-02  3.8674810000e+00 -8.4198000000e-02  3.6857700000e-01 -3.0000910000e+00 -9.1253800000e-01 -5.9490000000e-02 -2.7836570000e+00  5.7761600000e-01 -3.1118900000e-01 -2.8730050000e+00
+ENERGY -1.526540242791e+02
+FORCES -3.8052000000e-03  6.0020000000e-04  2.9171000000e-03  3.7129000000e-03  4.3090000000e-04  8.5910000000e-04  9.4000000000e-05 -9.9010000000e-04 -3.7942000000e-03 -3.8120000000e-04 -4.4970000000e-03  1.7093000000e-03  3.1944000000e-03  1.7459000000e-03 -9.0780000000e-04 -2.8150000000e-03  2.7101000000e-03 -7.8340000000e-04
+
+JOB 75
+COORDS  4.6195000000e-02  2.4900250000e+00  2.4412520000e+00  1.3927400000e-01  2.8146520000e+00  3.3369000000e+00  2.5544000000e-02  1.5373800000e+00  2.5322030000e+00  7.3010000000e-03 -2.4317140000e+00 -2.4810920000e+00 -7.1909400000e-01 -2.4687380000e+00 -1.8588280000e+00 -3.4832300000e-01 -2.8049630000e+00 -3.2875960000e+00
+ENERGY -1.526539698355e+02
+FORCES  5.0490000000e-04 -2.5955000000e-03  3.9283000000e-03 -4.2720000000e-04 -1.3152000000e-03 -3.6450000000e-03 -9.3500000000e-05  3.8827000000e-03 -2.9230000000e-04 -4.4542000000e-03 -1.5189000000e-03 -9.0890000000e-04  3.0118000000e-03  7.9000000000e-05 -2.3985000000e-03  1.4582000000e-03  1.4681000000e-03  3.3165000000e-03
+
+JOB 76
+COORDS  1.8717100000e-01  1.3375220000e+00 -3.3826300000e+00 -1.5843300000e-01  5.5371700000e-01 -3.8097580000e+00 -1.9503300000e-01  1.3209780000e+00 -2.5052030000e+00 -1.7154700000e-01 -1.3148770000e+00  3.2919680000e+00  3.1517600000e-01 -5.0424800000e-01  3.4410080000e+00 -2.3320000000e-01 -1.7202620000e+00  4.1568920000e+00
+ENERGY -1.526543714080e+02
+FORCES -2.9999000000e-03 -3.4435000000e-03  1.9501000000e-03  1.4089000000e-03  3.2405000000e-03  1.6227000000e-03  1.5941000000e-03  2.4630000000e-04 -3.6260000000e-03  1.8208000000e-03  1.5547000000e-03  4.3021000000e-03 -2.0655000000e-03 -3.2728000000e-03 -7.1210000000e-04  2.4160000000e-04  1.6748000000e-03 -3.5368000000e-03
+
+JOB 77
+COORDS  1.5289670000e+00 -2.4365620000e+00  2.3221160000e+00  1.9840860000e+00 -3.0848590000e+00  2.8595250000e+00  9.7352000000e-01 -2.9548630000e+00  1.7398140000e+00 -1.5782100000e+00  2.5234740000e+00 -2.3483400000e+00 -1.4817690000e+00  2.0787520000e+00 -1.5062280000e+00 -6.8782400000e-01  2.5749950000e+00 -2.6958870000e+00
+ENERGY -1.526543421956e+02
+FORCES -3.4190000000e-04 -4.9086000000e-03 -1.6100000000e-05 -1.8681000000e-03  2.6467000000e-03 -2.2270000000e-03  2.2477000000e-03  2.2472000000e-03  2.2991000000e-03  4.1249000000e-03 -1.5521000000e-03  2.1706000000e-03 -5.0420000000e-04  1.7775000000e-03 -3.5384000000e-03 -3.6584000000e-03 -2.1070000000e-04  1.3118000000e-03
+
+JOB 78
+COORDS -8.5663400000e-01  1.6504860000e+00 -3.4537630000e+00 -8.7049600000e-01  1.5706210000e+00 -2.5000010000e+00 -6.0924600000e-01  2.5610390000e+00 -3.6147720000e+00  8.6644600000e-01 -1.6707860000e+00  3.3639050000e+00  1.2910300000e-01 -1.3526170000e+00  3.8847950000e+00  1.1290260000e+00 -2.4855270000e+00  3.7922500000e+00
+ENERGY -1.526542031126e+02
+FORCES  1.1054000000e-03  3.2531000000e-03  3.3673000000e-03 -8.1800000000e-05  4.4880000000e-04 -3.9805000000e-03 -1.0515000000e-03 -3.6619000000e-03  6.0670000000e-04 -1.8779000000e-03 -2.1888000000e-03  3.9053000000e-03  2.9925000000e-03 -1.2110000000e-03 -2.1823000000e-03 -1.0867000000e-03  3.3598000000e-03 -1.7164000000e-03
+
+JOB 79
+COORDS -3.2570060000e+00 -4.8764000000e-01 -2.2249310000e+00 -2.7298860000e+00  5.6842000000e-02 -1.6401970000e+00 -2.8220130000e+00 -1.3402440000e+00 -2.2160060000e+00  3.2141180000e+00  4.9207000000e-01  2.1261570000e+00  3.2545180000e+00 -1.7983300000e-01  2.8067060000e+00  3.0401060000e+00  1.3046500000e+00  2.6011990000e+00
+ENERGY -1.526542978257e+02
+FORCES  4.1144000000e-03 -1.2315000000e-03  2.3927000000e-03 -2.2956000000e-03 -2.1912000000e-03 -2.3556000000e-03 -1.8748000000e-03  3.4145000000e-03 -4.2000000000e-05 -3.0410000000e-04  6.3490000000e-04  4.8163000000e-03 -2.5660000000e-04  2.7267000000e-03 -2.8285000000e-03  6.1670000000e-04 -3.3534000000e-03 -1.9828000000e-03
+
+JOB 80
+COORDS -1.3717700000e-01  5.0886050000e+00 -1.3319430000e+00 -2.9973700000e-01  5.9710830000e+00 -1.6651660000e+00 -9.8207900000e-01  4.6448260000e+00 -1.4056530000e+00  2.0038500000e-01 -5.1538430000e+00  1.4046960000e+00 -5.9964400000e-01 -4.7545460000e+00  1.0630120000e+00  8.9768600000e-01 -4.8096590000e+00  8.4653900000e-01
+ENERGY -1.526540942196e+02
+FORCES -4.1061000000e-03  1.8743000000e-03 -1.6377000000e-03  6.5680000000e-04 -3.6219000000e-03  1.3506000000e-03  3.4566000000e-03  1.7508000000e-03  2.9080000000e-04 -3.6960000000e-04  3.0815000000e-03 -3.6564000000e-03  3.2286000000e-03 -1.6463000000e-03  1.3874000000e-03 -2.8662000000e-03 -1.4384000000e-03  2.2654000000e-03
+
+JOB 81
+COORDS -9.9572400000e-01 -5.2077090000e+00 -2.1784930000e+00 -3.3300400000e-01 -4.5267980000e+00 -2.0627570000e+00 -1.7417030000e+00 -4.9072600000e+00 -1.6593800000e+00  9.8327700000e-01  5.1138090000e+00  2.1862270000e+00  3.8866000000e-01  5.6734640000e+00  1.6867790000e+00  1.8546560000e+00  5.3372210000e+00  1.8590920000e+00
+ENERGY -1.526541429588e+02
+FORCES -3.3440000000e-04  4.0178000000e-03  2.6407000000e-03 -2.6954000000e-03 -2.7861000000e-03 -5.0820000000e-04  3.0282000000e-03 -1.2387000000e-03 -2.1419000000e-03  1.1480000000e-03  3.2711000000e-03 -3.3293000000e-03  2.4183000000e-03 -2.3196000000e-03  2.0215000000e-03 -3.5647000000e-03 -9.4440000000e-04  1.3172000000e-03
+
+JOB 82
+COORDS  6.2476700000e-01  3.6025200000e+00 -4.9300940000e+00  6.2172400000e-01  2.6495100000e+00 -5.0195010000e+00  5.6421400000e-01  3.9280130000e+00 -5.8282140000e+00 -5.7284200000e-01 -3.5951970000e+00  4.9581140000e+00 -8.6039700000e-01 -2.6938870000e+00  4.8125660000e+00 -1.2432600000e+00 -3.9719180000e+00  5.5280710000e+00
+ENERGY -1.526541069981e+02
+FORCES -2.2990000000e-04 -2.5762000000e-03 -4.0331000000e-03 -5.7000000000e-06  3.8989000000e-03  3.6460000000e-04  2.3700000000e-04 -1.3208000000e-03  3.6640000000e-03 -3.8968000000e-03  2.1734000000e-03  1.7382000000e-03  1.1642000000e-03 -3.6981000000e-03  5.9390000000e-04  2.7313000000e-03  1.5229000000e-03 -2.3276000000e-03
+
+JOB 83
+COORDS -6.1986030000e+00  1.2866120000e+00  1.4442780000e+00 -5.9947770000e+00  3.5717600000e-01  1.3401850000e+00 -6.9117540000e+00  1.4465980000e+00  8.2617400000e-01  6.1893040000e+00 -1.3002240000e+00 -1.4355580000e+00  6.7077770000e+00 -6.4099200000e-01 -1.8968930000e+00  6.2918160000e+00 -1.0811840000e+00 -5.0941300000e-01
+ENERGY -1.526541057662e+02
+FORCES -2.0581000000e-03 -3.1552000000e-03 -2.9651000000e-03 -8.4550000000e-04  3.7971000000e-03  4.3740000000e-04  2.8993000000e-03 -6.4330000000e-04  2.5272000000e-03  2.5223000000e-03  3.6046000000e-03  1.9086000000e-03 -2.1084000000e-03 -2.6970000000e-03  1.8735000000e-03 -4.0960000000e-04 -9.0620000000e-04 -3.7816000000e-03
+
+JOB 84
+COORDS  1.3950890000e+00 -6.8828400000e+00  1.4147780000e+00  2.2827670000e+00 -6.6332250000e+00  1.6715910000e+00  1.1526030000e+00 -7.5743650000e+00  2.0305900000e+00 -1.4756530000e+00  6.8631390000e+00 -1.4341160000e+00 -5.4760500000e-01  6.9133580000e+00 -1.2051250000e+00 -1.5922840000e+00  7.5299710000e+00 -2.1108460000e+00
+ENERGY -1.526540438494e+02
+FORCES  2.6127000000e-03 -1.7856000000e-03  3.5656000000e-03 -3.6120000000e-03 -1.0251000000e-03 -1.0508000000e-03  9.9770000000e-04  2.8140000000e-03 -2.5145000000e-03  3.3102000000e-03  2.8961000000e-03 -1.8373000000e-03 -3.7844000000e-03 -1.8930000000e-04 -9.2850000000e-04  4.7590000000e-04 -2.7102000000e-03  2.7655000000e-03
+
+JOB 85
+COORDS -3.6820670000e+00  5.7031440000e+00  3.0967480000e+00 -3.3083130000e+00  5.0439590000e+00  2.5119270000e+00 -4.5688510000e+00  5.8433310000e+00  2.7647960000e+00  3.6852120000e+00 -5.7161850000e+00 -3.0947710000e+00  3.5962500000e+00 -4.7632610000e+00 -3.0788640000e+00  4.1604080000e+00 -5.9263060000e+00 -2.2908610000e+00
+ENERGY -1.526540727218e+02
+FORCES -2.1174000000e-03 -2.1055000000e-03 -3.7372000000e-03 -1.5065000000e-03  2.6818000000e-03  2.3859000000e-03  3.6261000000e-03 -5.7590000000e-04  1.3524000000e-03  1.6012000000e-03  3.0164000000e-03  3.3450000000e-03  3.4520000000e-04 -3.8802000000e-03 -6.5500000000e-05 -1.9486000000e-03  8.6340000000e-04 -3.2807000000e-03
+
+JOB 86
+COORDS  5.6601070000e+00  4.3029500000e+00 -5.0806490000e+00  4.8837460000e+00  4.5913230000e+00 -5.5605820000e+00  6.3042910000e+00  4.9954490000e+00 -5.2279730000e+00 -5.6521580000e+00 -4.4014440000e+00  5.1661200000e+00 -6.3791490000e+00 -3.8662150000e+00  4.8479260000e+00 -4.9201980000e+00 -4.1782890000e+00  4.5910820000e+00
+ENERGY -1.526540841764e+02
+FORCES -5.2120000000e-04  4.0055000000e-03 -2.5659000000e-03  3.1572000000e-03 -1.1807000000e-03  1.9636000000e-03 -2.6343000000e-03 -2.8249000000e-03  6.0230000000e-04  3.6200000000e-05  3.0943000000e-03 -3.6470000000e-03  2.9576000000e-03 -2.1834000000e-03  1.2999000000e-03 -2.9955000000e-03 -9.1070000000e-04  2.3470000000e-03
+
+JOB 87
+COORDS -9.4037450000e+00 -8.6722600000e-01  2.7334590000e+00 -8.9495670000e+00 -1.6496010000e+00  2.4206580000e+00 -1.0333232000e+01 -1.0751430000e+00  2.6382970000e+00  9.4417970000e+00  8.5389700000e-01 -2.6796220000e+00  9.8480010000e+00  1.1875260000e+00 -3.4795730000e+00  8.8275640000e+00  1.5399220000e+00 -2.4182420000e+00
+ENERGY -1.526540820076e+02
+FORCES -1.9365000000e-03 -4.0457000000e-03 -1.6596000000e-03 -1.8544000000e-03  3.1945000000e-03  1.2734000000e-03  3.7904000000e-03  8.5090000000e-04  3.8640000000e-04 -8.5230000000e-04  4.1644000000e-03 -2.1911000000e-03 -1.6552000000e-03 -1.3637000000e-03  3.2606000000e-03  2.5081000000e-03 -2.8004000000e-03 -1.0697000000e-03
+
+JOB 88
+COORDS  8.9965190000e+00 -5.1061430000e+00  1.2696890000e+00  8.6509040000e+00 -5.7392730000e+00  6.4046000000e-01  9.9066100000e+00 -4.9754950000e+00  1.0034230000e+00 -9.0677320000e+00  5.0915330000e+00 -1.1851200000e+00 -8.3428220000e+00  5.6332380000e+00 -8.7320200000e-01 -9.0870840000e+00  5.2379340000e+00 -2.1308600000e+00
+ENERGY -1.526540736373e+02
+FORCES  2.3010000000e-03 -2.0564000000e-03 -3.6486000000e-03  1.4114000000e-03  2.5859000000e-03  2.5644000000e-03 -3.7125000000e-03 -5.2980000000e-04  1.0844000000e-03  2.8854000000e-03  2.8037000000e-03 -2.5792000000e-03 -2.9610000000e-03 -2.2069000000e-03 -1.2762000000e-03  7.5700000000e-05 -5.9660000000e-04  3.8552000000e-03
+
+JOB 89
+COORDS  1.0158095000e+01 -2.6113370000e+00  1.5182530000e+00  1.0388079000e+01 -2.8153180000e+00  2.4247470000e+00  9.6527850000e+00 -1.8004020000e+00  1.5755210000e+00 -1.0136966000e+01  2.5356030000e+00 -1.6082280000e+00 -1.0500921000e+01  2.4790400000e+00 -7.2473000000e-01 -9.9065200000e+00  3.4585840000e+00 -1.7142130000e+00
+ENERGY -1.526540672354e+02
+FORCES -1.1283000000e-03  2.4722000000e-03  3.9275000000e-03 -9.3640000000e-04  8.3400000000e-04 -3.6965000000e-03  2.0642000000e-03 -3.3059000000e-03 -2.3080000000e-04 -5.4920000000e-04  3.5327000000e-03  3.1664000000e-03  1.4875000000e-03  2.3180000000e-04 -3.6021000000e-03 -9.3780000000e-04 -3.7649000000e-03  4.3550000000e-04
+
+JOB 0
+COORDS -1.7379000000e-02 -3.5221000000e-01  1.2339910000e+00  7.3173500000e-01  1.5143800000e-01  1.5524240000e+00  3.4931800000e-01 -1.2041400000e+00  9.9739200000e-01 -1.0334200000e-01  3.7150600000e-01 -1.2843150000e+00 -1.2733900000e-01  2.4740600000e-01 -3.3549800000e-01  8.2003100000e-01  5.2726000000e-01 -1.4826970000e+00
+ENERGY -1.526562766396e+02
+FORCES  2.9600000000e-03 -7.0740000000e-04 -7.9564000000e-03 -3.9162000000e-03 -2.3550000000e-03 -5.5801000000e-03 -1.1359000000e-03  6.6688000000e-03 -1.9800000000e-05  7.1120000000e-04 -4.0340000000e-03  2.0341600000e-02  3.5570000000e-03  1.7491000000e-03 -9.6886000000e-03 -2.1762000000e-03 -1.3215000000e-03  2.9032000000e-03
+
+JOB 1
+COORDS  2.1183300000e-01 -1.3708500000e-01  1.3497820000e+00  7.2738300000e-01 -9.1130300000e-01  1.1238900000e+00  7.0000000000e-03  2.6896700000e-01  5.0752500000e-01 -1.9917000000e-01  1.5760500000e-01 -1.2311250000e+00 -9.5495400000e-01 -3.7308400000e-01 -1.4829040000e+00 -6.6619000000e-02  7.5204100000e-01 -1.9695740000e+00
+ENERGY -1.526586280963e+02
+FORCES  2.6830000000e-04  8.9410000000e-04 -1.8360300000e-02 -1.5108000000e-03  8.2110000000e-04  1.6165000000e-03 -9.4430000000e-04  1.0600000000e-05  6.4073000000e-03 -7.3700000000e-04 -1.1300000000e-03  6.5901000000e-03  4.4500000000e-03  3.2536000000e-03  3.0260000000e-04 -1.5262000000e-03 -3.8494000000e-03  3.4437000000e-03
+
+JOB 2
+COORDS  2.1412700000e-01 -1.1148400000e+00  5.3769200000e-01 -3.4785800000e-01 -1.3477100000e+00  1.2767290000e+00  9.1415000000e-01 -1.7674880000e+00  5.5352900000e-01 -2.2968500000e-01  1.1867170000e+00 -6.3484700000e-01 -6.3632000000e-02  2.7264400000e-01 -4.0434800000e-01 -2.7534400000e-01  1.6417740000e+00  2.0602700000e-01
+ENERGY -1.526578303590e+02
+FORCES -1.8029000000e-03  8.2135000000e-03 -3.6562000000e-03  4.2520000000e-03  5.8140000000e-04 -2.9565000000e-03 -4.3502000000e-03  2.6643000000e-03  1.4352000000e-03  4.3096000000e-03 -1.5131400000e-02  1.0505100000e-02 -1.6621000000e-03  4.4755000000e-03 -3.6672000000e-03 -7.4640000000e-04 -8.0330000000e-04 -1.6604000000e-03
+
+JOB 3
+COORDS  4.0560800000e-01 -6.4421400000e-01 -1.1306970000e+00  6.1578700000e-01  1.4780700000e-01 -1.6254290000e+00  4.0960600000e-01 -3.6366500000e-01 -2.1554200000e-01 -3.5596400000e-01  5.6280800000e-01  1.1379770000e+00 -1.1479680000e+00  4.7690000000e-02  9.8430700000e-01 -5.7852400000e-01  1.4421470000e+00  8.3226000000e-01
+ENERGY -1.526574603340e+02
+FORCES -1.1095000000e-03  1.0835300000e-02  1.3956500000e-02 -1.4042000000e-03 -1.6407000000e-03  1.4921000000e-03 -1.5332000000e-03 -6.2379000000e-03 -6.6042000000e-03 -3.5842000000e-03 -4.8940000000e-04 -9.2893000000e-03  6.3203000000e-03  2.0949000000e-03 -3.0420000000e-04  1.3107000000e-03 -4.5622000000e-03  7.4910000000e-04
+
+JOB 4
+COORDS -2.4308000000e-02  1.2807390000e+00  1.8176100000e-01 -8.3292300000e-01  1.1837140000e+00  6.8471300000e-01  5.3935800000e-01  1.8210240000e+00  7.3548100000e-01  7.7124000000e-02 -1.3570280000e+00 -2.2722800000e-01 -7.2299700000e-01 -1.4044140000e+00 -7.5048000000e-01  1.8364600000e-01 -4.2530000000e-01 -3.5477000000e-02
+ENERGY -1.526585022074e+02
+FORCES  1.0110000000e-04 -4.5177000000e-03  2.2899000000e-03  5.4895000000e-03 -1.7876000000e-03 -3.4694000000e-03 -3.8779000000e-03 -3.1318000000e-03 -2.2784000000e-03  7.4000000000e-05  1.7474800000e-02 -5.8660000000e-04  1.3821000000e-03  1.0033000000e-03  2.5590000000e-03 -3.1688000000e-03 -9.0411000000e-03  1.4855000000e-03
+
+JOB 5
+COORDS  9.8079000000e-02  1.2469430000e+00  3.1958200000e-01 -6.4636700000e-01  1.8461500000e+00  2.6496500000e-01  4.2618100000e-01  1.3526010000e+00  1.2125650000e+00 -1.2163500000e-01 -1.3443140000e+00 -3.6602400000e-01  7.4210400000e-01 -1.3336650000e+00 -7.7842300000e-01 -2.2519400000e-01 -4.6462400000e-01 -3.1830000000e-03
+ENERGY -1.526596996676e+02
+FORCES -1.2377000000e-03 -2.8892000000e-03  1.9460000000e-04  4.0273000000e-03 -3.7319000000e-03  1.3007000000e-03 -2.5475000000e-03 -1.1603000000e-03 -5.1104000000e-03  3.7564000000e-03  1.7216400000e-02  2.1341000000e-03 -1.7749000000e-03 -8.9850000000e-04  1.2296000000e-03 -2.2236000000e-03 -8.5364000000e-03  2.5150000000e-04
+
+JOB 6
+COORDS  9.6846000000e-01 -9.2348700000e-01  4.2105000000e-02  8.7887100000e-01 -1.3242160000e+00 -8.2254600000e-01  3.4703600000e-01 -1.3996600000e+00  5.9285300000e-01 -9.6566500000e-01  9.6245700000e-01  3.1941000000e-02 -6.9123000000e-02  6.6863100000e-01 -1.2964400000e-01 -1.2122690000e+00  1.4305030000e+00 -7.6577500000e-01
+ENERGY -1.526591668506e+02
+FORCES -9.2673000000e-03 -1.7836000000e-03  3.8330000000e-04 -2.0570000000e-04  3.4566000000e-03  3.6624000000e-03  4.1981000000e-03  1.7081000000e-03 -3.1492000000e-03  1.0663100000e-02 -6.4111000000e-03 -1.1745000000e-03 -7.9474000000e-03  6.2522000000e-03 -1.4119000000e-03  2.5591000000e-03 -3.2222000000e-03  1.6898000000e-03
+
+JOB 7
+COORDS -1.1911410000e+00 -5.5270100000e-01 -6.0584000000e-02 -1.9963900000e+00 -3.2398600000e-01  4.0363100000e-01 -1.3636330000e+00 -3.1519000000e-01 -9.7166400000e-01  1.2656630000e+00  5.1480100000e-01  1.4252000000e-02  4.3982000000e-01  2.0526300000e-01  3.8627500000e-01  1.6575830000e+00  1.0451480000e+00  7.0805600000e-01
+ENERGY -1.526599239296e+02
+FORCES  2.0281000000e-03  3.6679000000e-03 -4.7512000000e-03  4.5266000000e-03 -1.1920000000e-04 -2.2050000000e-03 -1.0581000000e-03 -1.4718000000e-03  5.2780000000e-03 -1.1028800000e-02 -5.0313000000e-03  1.7349000000e-03  9.1393000000e-03  5.1151000000e-03  1.1624000000e-03 -3.6071000000e-03 -2.1607000000e-03 -1.2192000000e-03
+
+JOB 8
+COORDS  7.5998100000e-01 -3.0012000000e-02  1.1291840000e+00  5.4184400000e-01  1.9065800000e-01  2.0346970000e+00 -8.5387000000e-02 -7.2596000000e-02  6.8222800000e-01 -7.6023300000e-01  1.8365000000e-02 -1.1342240000e+00 -2.5083300000e-01  8.1955800000e-01 -1.2560140000e+00 -1.6604100000e-01 -6.8564500000e-01 -1.3941060000e+00
+ENERGY -1.526604238299e+02
+FORCES -8.4649000000e-03 -3.8590000000e-04 -6.0064000000e-03 -1.2666000000e-03 -2.8060000000e-04 -4.3134000000e-03  7.7811000000e-03  3.6650000000e-04  6.6557000000e-03  8.8169000000e-03  8.8960000000e-04 -8.6830000000e-04 -3.3365000000e-03 -4.1426000000e-03  1.8153000000e-03 -3.5300000000e-03  3.5530000000e-03  2.7171000000e-03
+
+JOB 9
+COORDS -6.9958000000e-02 -1.1797650000e+00 -5.3290800000e-01  5.0456200000e-01 -1.8776480000e+00 -2.1807700000e-01 -2.4367100000e-01 -1.4058280000e+00 -1.4466650000e+00  7.4248000000e-02  1.2708290000e+00  6.2890700000e-01 -4.1674700000e-01  1.6215560000e+00 -1.1415900000e-01  1.5487000000e-01  3.3528400000e-01  4.4320300000e-01
+ENERGY -1.526580671778e+02
+FORCES  8.4890000000e-04  4.6092000000e-03 -1.1631000000e-03 -2.7370000000e-03  4.5706000000e-03 -1.5314000000e-03  1.0920000000e-03 -2.5840000000e-04  4.5187000000e-03 -3.1040000000e-03 -1.2847100000e-02 -9.8929000000e-03  1.0916000000e-03  5.8090000000e-04  1.7324000000e-03  2.8085000000e-03  3.3448000000e-03  6.3364000000e-03
+
+JOB 10
+COORDS  6.9894600000e-01  8.9191100000e-01  6.8623400000e-01  1.5492110000e+00  4.6333100000e-01  5.8825100000e-01  8.4666400000e-01  1.7892460000e+00  3.8756800000e-01 -7.5553300000e-01 -9.6535500000e-01 -7.1018400000e-01 -1.5475310000e+00 -5.3815200000e-01 -3.8388900000e-01 -4.7636000000e-02 -5.9145900000e-01 -1.8547900000e-01
+ENERGY -1.526562770668e+02
+FORCES -8.0470000000e-04  9.4810000000e-04 -5.9264000000e-03 -7.4184000000e-03 -4.5560000000e-04 -1.7723000000e-03  1.5530000000e-04 -4.1174000000e-03  2.4803000000e-03  3.6769000000e-03  1.3057900000e-02  9.2893000000e-03  5.4140000000e-04 -1.9671000000e-03 -2.1499000000e-03  3.8494000000e-03 -7.4660000000e-03 -1.9211000000e-03
+
+JOB 11
+COORDS -4.8024200000e-01 -1.1491280000e+00  6.3436600000e-01 -2.3494100000e-01 -1.9903050000e+00  2.4903300000e-01  5.7328000000e-02 -5.0694300000e-01  1.7084800000e-01  4.6754500000e-01  1.0991720000e+00 -5.7509700000e-01  3.3079700000e-01  1.7723120000e+00  9.1547000000e-02  3.9961000000e-02  1.4463540000e+00 -1.3579570000e+00
+ENERGY -1.526607554469e+02
+FORCES  5.6493000000e-03  9.2582000000e-03 -7.1778000000e-03 -2.1160000000e-04  3.6396000000e-03 -2.7660000000e-04 -2.2449000000e-03 -8.3895000000e-03  5.9756000000e-03 -6.0538000000e-03 -9.1560000000e-04  1.5981000000e-03  4.6570000000e-04 -3.2529000000e-03 -4.0416000000e-03  2.3952000000e-03 -3.3980000000e-04  3.9222000000e-03
+
+JOB 12
+COORDS  8.5029900000e-01 -2.3436000000e-01  1.1034020000e+00  9.8391400000e-01 -1.1685700000e+00  1.2634990000e+00  2.4112300000e-01 -2.0200300000e-01  3.6577800000e-01 -7.8589300000e-01  3.0367900000e-01 -1.0120020000e+00 -5.9766800000e-01 -3.1231600000e-01 -1.7200650000e+00 -1.6331880000e+00  6.8400500000e-01 -1.2436830000e+00
+ENERGY -1.526591977491e+02
+FORCES -8.4195000000e-03  1.7343000000e-03 -8.2719000000e-03 -1.2801000000e-03  2.7150000000e-03 -2.3040000000e-03  7.1659000000e-03 -4.9361000000e-03  4.4907000000e-03 -5.7840000000e-04  6.5410000000e-04  2.1931000000e-03 -1.1147000000e-03  2.2902000000e-03  5.0779000000e-03  4.2267000000e-03 -2.4576000000e-03 -1.1858000000e-03
+
+JOB 13
+COORDS -1.1946820000e+00 -7.5573800000e-01  1.2805300000e-01 -3.2466500000e-01 -4.2327200000e-01 -9.2787000000e-02 -1.0350990000e+00 -1.6329080000e+00  4.7638800000e-01  1.0766810000e+00  7.7791900000e-01 -1.7124400000e-01  1.1265380000e+00  8.8238300000e-01  7.7893100000e-01  1.9843280000e+00  8.4419900000e-01 -4.6791800000e-01
+ENERGY -1.526600776194e+02
+FORCES  9.7561000000e-03  3.3102000000e-03 -3.3975000000e-03 -7.4285000000e-03 -4.4876000000e-03  5.3905000000e-03  8.7320000000e-04  3.4287000000e-03 -7.8460000000e-04  8.4380000000e-04  2.4620000000e-04  1.6490000000e-03  2.4400000000e-05 -2.7113000000e-03 -5.7202000000e-03 -4.0690000000e-03  2.1380000000e-04  2.8628000000e-03
+
+JOB 14
+COORDS -9.4418100000e-01 -1.0946840000e+00 -7.8325000000e-02 -1.3737510000e+00 -6.3539200000e-01  6.4330700000e-01 -1.4974800000e-01 -5.8784800000e-01 -2.4632800000e-01  9.1270000000e-01  9.6886600000e-01  2.0367000000e-02  6.9553100000e-01  1.7816010000e+00 -4.3628700000e-01  1.2648730000e+00  1.2540570000e+00  8.6349900000e-01
+ENERGY -1.526595692400e+02
+FORCES  8.1092000000e-03  1.1756500000e-02  2.8309000000e-03 -1.7470000000e-04 -1.9135000000e-03 -1.2034000000e-03 -4.0017000000e-03 -6.4342000000e-03 -2.0473000000e-03 -2.6565000000e-03  3.6490000000e-04  1.2884000000e-03  1.2244000000e-03 -3.5242000000e-03  3.2900000000e-03 -2.5008000000e-03 -2.4950000000e-04 -4.1586000000e-03
+
+JOB 15
+COORDS  5.6236700000e-01  9.5544900000e-01 -8.9526600000e-01  3.1818000000e-01  1.7234000000e-01 -4.0196600000e-01 -5.7519000000e-02  9.8296000000e-01 -1.6241120000e+00 -4.8722100000e-01 -8.8449500000e-01  8.6532200000e-01 -6.0029800000e-01 -6.2297500000e-01  1.7791350000e+00 -9.2706700000e-01 -1.7323010000e+00  8.0214300000e-01
+ENERGY -1.526604070833e+02
+FORCES -6.8899000000e-03 -8.6958000000e-03  6.1790000000e-03  4.0166000000e-03  5.1890000000e-03 -5.7954000000e-03  1.5709000000e-03 -6.2270000000e-04  2.0322000000e-03  3.3470000000e-04  2.9286000000e-03  4.1780000000e-04 -4.2410000000e-04 -3.1957000000e-03 -3.9250000000e-03  1.3919000000e-03  4.3965000000e-03  1.0915000000e-03
+
+JOB 16
+COORDS -4.4627200000e-01 -1.3295640000e+00  2.0244400000e-01 -1.0134600000e-01 -2.0425560000e+00 -3.3504900000e-01 -5.8282200000e-01 -6.0938500000e-01 -4.1312800000e-01  3.9141000000e-01  1.3631840000e+00 -1.0817400000e-01  7.4491500000e-01  1.4587810000e+00 -9.9255400000e-01  8.4508000000e-01  6.0043000000e-01  2.5046500000e-01
+ENERGY -1.526575554339e+02
+FORCES -2.6228000000e-03  4.0235000000e-03 -4.3857000000e-03 -2.6380000000e-04  4.7871000000e-03  1.6810000000e-03  4.1469000000e-03 -6.5252000000e-03  2.0285000000e-03  4.9320000000e-03 -4.0847000000e-03  2.3056000000e-03 -3.2358000000e-03 -2.8274000000e-03  3.4799000000e-03 -2.9564000000e-03  4.6268000000e-03 -5.1094000000e-03
+
+JOB 17
+COORDS  7.1823500000e-01  8.6681600000e-01 -8.6560000000e-01  3.3353100000e-01  5.3915000000e-02 -1.1933600000e+00  7.4028000000e-02  1.5411810000e+00 -1.0811470000e+00 -7.2146500000e-01 -8.7182100000e-01  8.7079500000e-01 -2.5540300000e-01 -1.3912860000e+00  1.5259090000e+00 -1.1850600000e-01 -1.6029500000e-01  6.5538400000e-01
+ENERGY -1.526604317106e+02
+FORCES -4.7749000000e-03 -1.2986000000e-03 -4.9253000000e-03  2.1437000000e-03  4.9786000000e-03  5.6202000000e-03  2.8468000000e-03 -3.7879000000e-03  1.8885000000e-03  6.4740000000e-03  5.5507000000e-03  1.5750000000e-04 -7.7410000000e-04  2.5091000000e-03 -2.8288000000e-03 -5.9155000000e-03 -7.9518000000e-03  8.7900000000e-05
+
+JOB 18
+COORDS  5.1876200000e-01 -3.2970000000e-02  1.2653190000e+00  3.1017200000e-01  7.7097900000e-01  1.7411220000e+00  2.8909000000e-02 -7.1645000000e-01  1.7226280000e+00 -4.7092300000e-01  4.5838000000e-02 -1.3862670000e+00 -1.2143340000e+00 -2.0069200000e-01 -8.3599800000e-01  2.9152800000e-01 -4.6316000000e-02 -8.1494500000e-01
+ENERGY -1.526579891838e+02
+FORCES -3.7310000000e-03  1.6902000000e-03  8.3910000000e-04  3.8940000000e-04 -4.4481000000e-03 -1.7210000000e-03  1.1186000000e-03  3.7476000000e-03 -2.9625000000e-03  3.1456000000e-03 -9.5350000000e-04  1.3462900000e-02 -1.9400000000e-04  1.3650000000e-04 -2.3963000000e-03 -7.2860000000e-04 -1.7270000000e-04 -7.2222000000e-03
+
+JOB 19
+COORDS  8.6882200000e-01 -1.0204890000e+00  5.5128000000e-01  1.7426640000e+00 -6.3066300000e-01  5.2544500000e-01  2.7325500000e-01 -2.8383600000e-01  4.1389500000e-01 -8.5755300000e-01  8.9483900000e-01 -5.6084200000e-01 -1.6815060000e+00  1.1057200000e+00 -1.2168000000e-01 -4.3565600000e-01  1.7427770000e+00 -6.9953100000e-01
+ENERGY -1.526594129274e+02
+FORCES -5.7679000000e-03  9.3089000000e-03 -5.4817000000e-03 -2.9947000000e-03 -2.3090000000e-04 -2.9990000000e-04  6.3008000000e-03 -5.6604000000e-03  6.1927000000e-03 -1.0525000000e-03  2.4242000000e-03 -4.3690000000e-04  5.1910000000e-03 -1.0091000000e-03 -1.7784000000e-03 -1.6768000000e-03 -4.8328000000e-03  1.8043000000e-03
+
+JOB 20
+COORDS -6.2737400000e-01 -3.5557400000e-01  1.2379330000e+00 -6.9161900000e-01  2.8971500000e-01  1.9419970000e+00 -2.3381400000e-01  1.2339000000e-01  5.0859400000e-01  5.5258200000e-01  3.2838600000e-01 -1.2314590000e+00  7.2353300000e-01 -6.0817300000e-01 -1.3307790000e+00  1.4188620000e+00  7.3465900000e-01 -1.2585510000e+00
+ENERGY -1.526613397564e+02
+FORCES  3.4434000000e-03  5.8784000000e-03 -7.9112000000e-03  1.1433000000e-03 -1.1356000000e-03 -3.1532000000e-03 -3.2897000000e-03 -4.5486000000e-03  9.7315000000e-03  3.6873000000e-03 -3.8371000000e-03 -1.0052000000e-03 -6.3530000000e-04  5.9055000000e-03  1.5014000000e-03 -4.3490000000e-03 -2.2626000000e-03  8.3680000000e-04
+
+JOB 21
+COORDS  1.0910600000e-01 -1.2690550000e+00 -4.9297500000e-01 -1.0775200000e-01 -9.2473400000e-01 -1.3593740000e+00  5.5147000000e-01 -2.0995370000e+00 -6.6860600000e-01 -1.8269500000e-01  1.3178170000e+00  5.2728900000e-01  2.1817200000e-01  1.6619390000e+00  1.3254860000e+00  4.4406100000e-01  6.7074900000e-01  2.0369600000e-01
+ENERGY -1.526575219933e+02
+FORCES -2.1819000000e-03 -1.4831000000e-03 -3.4316000000e-03  3.3206000000e-03 -9.1870000000e-04  5.0351000000e-03 -2.4347000000e-03  4.0572000000e-03  8.8350000000e-04  3.4480000000e-03 -8.1204000000e-03  9.0180000000e-04 -9.5610000000e-04 -1.9240000000e-03 -2.6380000000e-03 -1.1960000000e-03  8.3890000000e-03 -7.5090000000e-04
+
+JOB 22
+COORDS -7.4307700000e-01  1.2118790000e+00 -3.4628300000e-01 -4.4929700000e-01  1.3506550000e+00 -1.2466520000e+00 -3.6571400000e-01  3.6794100000e-01 -9.8097000000e-02  6.7399400000e-01 -1.1143700000e+00  3.8635000000e-01  4.5433900000e-01 -1.8474990000e+00 -1.8854700000e-01  1.4455340000e+00 -1.4107920000e+00  8.6914600000e-01
+ENERGY -1.526601091215e+02
+FORCES  7.5704000000e-03 -8.1060000000e-03  1.4440000000e-03 -9.6010000000e-04 -9.8200000000e-04  2.4087000000e-03 -6.4436000000e-03  5.0027000000e-03 -4.2758000000e-03  2.0582000000e-03  3.5580000000e-04  1.2095000000e-03  1.2930000000e-03  4.5201000000e-03  2.4084000000e-03 -3.5180000000e-03 -7.9060000000e-04 -3.1948000000e-03
+
+JOB 23
+COORDS  2.4066900000e-01 -8.5756500000e-01  1.1555620000e+00  2.3952000000e-02 -4.2853600000e-01  3.2779400000e-01 -4.2876400000e-01 -1.5340680000e+00  1.2577090000e+00 -2.1149300000e-01  8.6782000000e-01 -1.0463650000e+00 -5.2077200000e-01  4.2912300000e-01 -1.8389080000e+00  5.4064400000e-01  1.3842480000e+00 -1.3358890000e+00
+ENERGY -1.526606946248e+02
+FORCES -3.6484000000e-03  6.1111000000e-03 -8.0914000000e-03  1.0851000000e-03 -8.6888000000e-03  6.9663000000e-03  1.6534000000e-03  2.4939000000e-03 -1.7886000000e-03  3.3204000000e-03  1.6423000000e-03 -2.2664000000e-03  1.9535000000e-03  1.1273000000e-03  4.9782000000e-03 -4.3640000000e-03 -2.6859000000e-03  2.0200000000e-04
+
+JOB 24
+COORDS -3.0266100000e-01 -1.3083910000e+00  5.4622000000e-01 -1.1092650000e+00 -1.5974900000e+00  9.7288600000e-01 -3.8129900000e-01 -3.5532100000e-01  5.0493700000e-01  2.8100200000e-01  1.2705110000e+00 -5.8075200000e-01  7.4099600000e-01  1.8914610000e+00 -1.5900000000e-02  9.6725900000e-01  6.8750900000e-01 -9.0539400000e-01
+ENERGY -1.526610010987e+02
+FORCES -2.5206000000e-03  7.5086000000e-03 -1.5708000000e-03  2.4977000000e-03  2.3729000000e-03 -1.3355000000e-03  5.2150000000e-04 -9.3797000000e-03  3.9317000000e-03  6.0738000000e-03 -1.8460000000e-04 -2.2709000000e-03 -2.5798000000e-03 -3.9833000000e-03 -1.8589000000e-03 -3.9926000000e-03  3.6661000000e-03  3.1044000000e-03
+
+JOB 25
+COORDS  6.7292300000e-01  1.1394560000e+00 -4.8039000000e-01  1.1723950000e+00  1.4548490000e+00  2.7279500000e-01  1.3380090000e+00  8.9092300000e-01 -1.1223600000e+00 -7.1014200000e-01 -1.1981190000e+00  5.0687400000e-01 -1.5940950000e+00 -8.3937900000e-01  4.2835400000e-01 -1.5798000000e-01 -5.8376700000e-01  2.3222000000e-02
+ENERGY -1.526609808854e+02
+FORCES  4.0534000000e-03  2.2687000000e-03  2.1074000000e-03 -2.0971000000e-03 -1.8153000000e-03 -4.5144000000e-03 -3.9841000000e-03 -4.2050000000e-04  4.2822000000e-03  2.0027000000e-03  1.0910400000e-02 -4.8184000000e-03  2.2325000000e-03 -1.5441000000e-03  6.5430000000e-04 -2.2075000000e-03 -9.3992000000e-03  2.2889000000e-03
+
+JOB 26
+COORDS -1.8089700000e-01 -3.8269200000e-01  1.4262900000e+00 -1.8369800000e-01 -1.7103100000e-01  4.9279000000e-01  4.9772100000e-01  1.8075800000e-01  1.7980900000e+00  1.4051700000e-01  3.6157500000e-01 -1.3361260000e+00 -4.7889500000e-01  5.4790800000e-01 -2.0417040000e+00  7.7978000000e-01 -2.3291900000e-01 -1.7287480000e+00
+ENERGY -1.526617982574e+02
+FORCES  2.1633000000e-03  5.4770000000e-03 -9.2991000000e-03 -1.4840000000e-04 -3.8807000000e-03  9.1981000000e-03 -1.6210000000e-03 -1.9820000000e-03 -9.8420000000e-04 -6.5390000000e-04 -1.4023000000e-03 -3.3224000000e-03  3.8857000000e-03 -1.3572000000e-03  2.5155000000e-03 -3.6257000000e-03  3.1452000000e-03  1.8922000000e-03
+
+JOB 27
+COORDS -2.0773900000e-01 -2.4922600000e-01 -1.3562630000e+00 -7.9119000000e-02  4.3752600000e-01 -2.0105270000e+00 -1.1060330000e+00 -5.4876900000e-01 -1.4961690000e+00  2.1382600000e-01  1.8608100000e-01  1.4454490000e+00  8.8640200000e-01  8.2352600000e-01  1.6853170000e+00  1.8185300000e-01  2.1922100000e-01  4.8935700000e-01
+ENERGY -1.526612201665e+02
+FORCES -4.1211000000e-03 -1.4220000000e-04 -2.2361000000e-03 -7.7880000000e-04 -3.0332000000e-03  3.8659000000e-03  4.6751000000e-03  2.1505000000e-03 -3.3320000000e-04  7.2980000000e-04 -4.1090000000e-04 -9.7932000000e-03 -2.0849000000e-03 -1.6721000000e-03 -2.1340000000e-03  1.5799000000e-03  3.1079000000e-03  1.0630600000e-02
+
+JOB 28
+COORDS -1.6713600000e-01 -1.0130080000e+00 -9.3509400000e-01 -1.0102990000e+00 -1.4605350000e+00 -1.0060020000e+00  4.8171100000e-01 -1.6941500000e+00 -1.1119410000e+00  2.3565500000e-01  1.0867440000e+00  9.7931200000e-01 -4.9214300000e-01  1.7045560000e+00  9.0966200000e-01 -7.7997000000e-02  2.9596600000e-01  5.4053700000e-01
+ENERGY -1.526601204534e+02
+FORCES  2.0273000000e-03 -3.4737000000e-03 -1.4658000000e-03  4.2161000000e-03  2.8191000000e-03  1.2313000000e-03 -4.2169000000e-03  2.5217000000e-03  2.7260000000e-04 -3.1157000000e-03 -5.8875000000e-03 -7.7170000000e-03  1.7229000000e-03 -2.5353000000e-03 -2.2400000000e-05 -6.3360000000e-04  6.5556000000e-03  7.7012000000e-03
+
+JOB 29
+COORDS -1.0036240000e+00 -6.4482200000e-01 -8.9587500000e-01 -1.7727030000e+00 -7.6382000000e-02 -9.3618400000e-01 -3.7002500000e-01 -1.5455300000e-01 -3.7202200000e-01  9.7335100000e-01  5.7836300000e-01  8.0624000000e-01  1.0324860000e+00 -1.1612000000e-01  1.4623100000e+00  1.5206800000e+00  1.2830660000e+00  1.1527310000e+00
+ENERGY -1.526611017350e+02
+FORCES  4.2370000000e-03  7.2627000000e-03  4.2748000000e-03  2.3845000000e-03 -1.5569000000e-03  1.7730000000e-04 -6.0933000000e-03 -6.5469000000e-03 -2.8736000000e-03  1.9656000000e-03  8.0490000000e-04  1.8878000000e-03 -5.6150000000e-04  4.0597000000e-03 -3.5852000000e-03 -1.9324000000e-03 -4.0235000000e-03  1.1890000000e-04
+
+JOB 30
+COORDS  1.3097440000e+00  3.3084500000e-01  3.7946900000e-01  1.4452990000e+00  1.1290560000e+00 -1.3113500000e-01  1.6463740000e+00  5.4281400000e-01  1.2500910000e+00 -1.3933940000e+00 -4.2077900000e-01 -3.8452000000e-01 -1.0711420000e+00 -2.2894300000e-01 -1.2651930000e+00 -7.2348200000e-01 -6.4553000000e-02  1.9904900000e-01
+ENERGY -1.526587586000e+02
+FORCES  3.3102000000e-03  2.9881000000e-03  5.1370000000e-04 -2.0170000000e-03 -4.3539000000e-03  2.3897000000e-03 -2.5492000000e-03 -7.1380000000e-04 -4.4851000000e-03  1.1741400000e-02  2.1007000000e-03  7.1320000000e-04 -1.8940000000e-03  1.4680000000e-04  1.7730000000e-03 -8.5914000000e-03 -1.6810000000e-04 -9.0460000000e-04
+
+JOB 31
+COORDS  5.2668200000e-01 -1.6300500000e-01  1.3721580000e+00  1.4885300000e-01  1.3263500000e-01  5.4386200000e-01  6.4009100000e-01  6.3806500000e-01  1.8836830000e+00 -4.5371400000e-01  8.2647000000e-02 -1.3116380000e+00 -1.1956430000e+00 -4.7940200000e-01 -1.5349640000e+00 -6.3920900000e-01  9.1155900000e-01 -1.7529190000e+00
+ENERGY -1.526609160604e+02
+FORCES -2.9260000000e-03  2.8234000000e-03 -8.4643000000e-03  3.0653000000e-03  4.4420000000e-04  1.0584300000e-02 -8.0720000000e-04 -1.9019000000e-03 -2.8245000000e-03 -3.2555000000e-03 -1.0715000000e-03 -2.4163000000e-03  3.4011000000e-03  3.7111000000e-03  2.6120000000e-04  5.2230000000e-04 -4.0053000000e-03  2.8595000000e-03
+
+JOB 32
+COORDS  6.4286000000e-01 -1.2507740000e+00 -4.4431600000e-01  1.1986400000e+00 -1.7222510000e+00  1.7620800000e-01  1.6951900000e-01 -6.1509800000e-01  9.2431000000e-02 -6.4432900000e-01  1.1801480000e+00  3.9562600000e-01 -1.1775400000e-01  1.8851610000e+00  7.7233100000e-01 -1.2267490000e+00  1.6201740000e+00 -2.2356400000e-01
+ENERGY -1.526607196436e+02
+FORCES -3.5315000000e-03  6.5516000000e-03  4.5733000000e-03 -1.8824000000e-03  2.7625000000e-03 -1.3133000000e-03  4.6251000000e-03 -9.0771000000e-03 -1.5718000000e-03  8.6670000000e-04  3.2017000000e-03 -3.6157000000e-03 -2.8214000000e-03 -2.8631000000e-03 -1.6670000000e-03  2.7435000000e-03 -5.7560000000e-04  3.5946000000e-03
+
+JOB 33
+COORDS -6.1543200000e-01 -1.3432140000e+00 -2.3864800000e-01 -1.6763200000e-01 -5.0444100000e-01 -1.2834800000e-01 -4.6694100000e-01 -1.8048830000e+00  5.8660600000e-01  6.3428000000e-01  1.2877590000e+00  1.6073900000e-01  6.5093000000e-01  1.9860340000e+00  8.1523700000e-01 -2.8962900000e-01  1.2007300000e+00 -7.3887000000e-02
+ENERGY -1.526549814382e+02
+FORCES  7.2989000000e-03  2.7143000000e-03  5.3486000000e-03 -9.4241000000e-03  3.6531000000e-03 -3.4291000000e-03 -1.1483000000e-03  1.1201000000e-03 -2.9451000000e-03 -3.4678000000e-03  4.1132000000e-03  2.7563000000e-03 -2.5110000000e-04 -2.8781000000e-03 -3.6061000000e-03  6.9926000000e-03 -8.7226000000e-03  1.8754000000e-03
+
+JOB 34
+COORDS -1.1717970000e+00  2.7933500000e-01  9.0340700000e-01 -7.2901200000e-01  6.3218100000e-01  1.6752060000e+00 -4.8597300000e-01  2.2305000000e-01  2.3804300000e-01  1.0873500000e+00 -2.7294800000e-01 -8.3927100000e-01  8.4324600000e-01 -1.1099450000e+00 -1.2343400000e+00  1.5636410000e+00  1.8842500000e-01 -1.5295710000e+00
+ENERGY -1.526617352758e+02
+FORCES  9.8883000000e-03  1.9930000000e-04 -3.5724000000e-03 -1.5523000000e-03 -7.6740000000e-04 -2.1008000000e-03 -8.5423000000e-03  8.9200000000e-05  4.9738000000e-03  1.1775000000e-03 -1.4905000000e-03 -3.8193000000e-03  9.9880000000e-04  5.0907000000e-03  1.5561000000e-03 -1.9700000000e-03 -3.1213000000e-03  2.9626000000e-03
+
+JOB 35
+COORDS -1.2680750000e+00  2.8934200000e-01 -6.6145400000e-01 -7.0417000000e-01  8.2330500000e-01 -1.2210310000e+00 -1.3695550000e+00 -5.3405000000e-01 -1.1389050000e+00  1.2630090000e+00 -2.8955700000e-01  7.7853600000e-01  1.8299870000e+00 -2.4055000000e-02  5.4467000000e-02  3.8074000000e-01 -2.8301500000e-01  4.0733500000e-01
+ENERGY -1.526582380983e+02
+FORCES -1.1295000000e-03  1.1723000000e-03 -5.9091000000e-03 -8.4880000000e-04 -4.4501000000e-03  4.0565000000e-03  2.8060000000e-03  4.2084000000e-03  3.7926000000e-03 -7.5828000000e-03  2.5437000000e-03 -5.2580000000e-03 -2.7315000000e-03 -4.9750000000e-04  1.6118000000e-03  9.4866000000e-03 -2.9767000000e-03  1.7061000000e-03
+
+JOB 36
+COORDS  4.7200400000e-01  1.4076370000e+00  7.4566000000e-02 -1.3046500000e-01  2.1453550000e+00 -2.0482000000e-02 -5.1257000000e-02  6.3945100000e-01 -1.5417000000e-01 -3.4905200000e-01 -1.3738620000e+00 -8.1317000000e-02 -1.1979880000e+00 -1.5034420000e+00 -5.0410300000e-01 -4.4210800000e-01 -1.7890370000e+00  7.7612200000e-01
+ENERGY -1.526595149598e+02
+FORCES -3.6838000000e-03 -7.1054000000e-03 -1.1274000000e-03  1.0636000000e-03 -3.8289000000e-03  1.3730000000e-04  3.2520000000e-04  1.0741100000e-02 -6.9530000000e-04 -1.3753000000e-03 -4.0549000000e-03  3.9977000000e-03  4.2002000000e-03  3.0499000000e-03  2.4805000000e-03 -5.2980000000e-04  1.1982000000e-03 -4.7928000000e-03
+
+JOB 37
+COORDS -2.8305600000e-01  1.7415100000e-01  1.4977910000e+00 -8.1031000000e-01  7.5596900000e-01  9.5032100000e-01  2.5880900000e-01 -3.1340400000e-01  8.7738600000e-01  3.4208600000e-01 -1.9721300000e-01 -1.3905140000e+00 -3.5459500000e-01  4.1182700000e-01 -1.1456920000e+00  9.0013000000e-02 -5.1408100000e-01 -2.2578580000e+00
+ENERGY -1.526548575286e+02
+FORCES  2.0946000000e-03 -1.5602000000e-03 -7.0971000000e-03  1.6976000000e-03 -1.9154000000e-03 -1.0963000000e-03 -3.4390000000e-03  3.3923000000e-03  5.1858000000e-03 -3.7087000000e-03  6.1030000000e-04 -3.7643000000e-03  2.7089000000e-03 -2.7152000000e-03  2.7747000000e-03  6.4660000000e-04  2.1882000000e-03  3.9972000000e-03
+
+JOB 38
+COORDS -1.2131430000e+00 -7.5513500000e-01  3.0979600000e-01 -1.4331320000e+00 -1.4944720000e+00 -2.5696400000e-01 -5.5161800000e-01 -1.1007020000e+00  9.0912900000e-01  1.2524400000e+00  7.9834600000e-01 -3.3632900000e-01  1.0511570000e+00  1.4031990000e+00  3.7772200000e-01  4.0545400000e-01  4.2554100000e-01 -5.8100000000e-01
+ENERGY -1.526600190015e+02
+FORCES  1.5325000000e-03 -5.6085000000e-03  2.4277000000e-03  2.0458000000e-03  3.9373000000e-03  2.1927000000e-03 -3.6397000000e-03  2.2726000000e-03 -3.4670000000e-03 -9.5105000000e-03 -2.3000000000e-04  1.8894000000e-03  1.6574000000e-03 -2.4433000000e-03 -1.6888000000e-03  7.9145000000e-03  2.0720000000e-03 -1.3540000000e-03
+
+JOB 39
+COORDS  2.7491000000e-02  1.4180330000e+00  1.0685900000e-01  2.7640700000e-01  1.8424790000e+00 -7.1418700000e-01  3.0588000000e-02  2.1244480000e+00  7.5276900000e-01 -5.6597000000e-02 -1.5211930000e+00 -4.1670000000e-02  1.1830100000e-01 -5.8012900000e-01 -4.8118000000e-02  1.6397000000e-02 -1.7851460000e+00 -9.5885700000e-01
+ENERGY -1.526601997588e+02
+FORCES  6.4900000000e-05  4.0425000000e-03  1.7206000000e-03 -9.8860000000e-04 -2.6791000000e-03  3.8703000000e-03  7.1800000000e-05 -1.7899000000e-03 -4.2034000000e-03  2.5560000000e-04  8.2346000000e-03 -1.2464000000e-03  6.4510000000e-04 -9.5681000000e-03 -2.7897000000e-03 -4.8800000000e-05  1.7600000000e-03  2.6487000000e-03
+
+JOB 40
+COORDS -3.7510800000e-01 -3.8928500000e-01  1.4463020000e+00  3.0046600000e-01  2.7906800000e-01  1.3316910000e+00 -8.5292100000e-01 -3.9224300000e-01  6.1689400000e-01  3.0788000000e-01  3.6445900000e-01 -1.3730180000e+00  6.3450200000e-01 -5.0066600000e-01 -1.6202200000e+00  1.0218410000e+00  9.6260500000e-01 -1.5937290000e+00
+ENERGY -1.526579654976e+02
+FORCES  2.0046000000e-03  5.5085000000e-03 -9.5623000000e-03 -6.3220000000e-04 -1.8319000000e-03  3.6885000000e-03 -1.0147000000e-03 -3.3887000000e-03  4.4670000000e-03  4.4252000000e-03 -1.5230000000e-03 -1.7081000000e-03 -2.0416000000e-03  4.2048000000e-03  1.3162000000e-03 -2.7413000000e-03 -2.9695000000e-03  1.7987000000e-03
+
+JOB 41
+COORDS  2.2434000000e-01 -3.2552100000e-01  1.4315210000e+00 -2.3648400000e-01  4.7203100000e-01  1.6918720000e+00 -4.2337600000e-01 -1.0223120000e+00  1.5372570000e+00 -2.1431200000e-01  3.2022900000e-01 -1.4621860000e+00  4.4702000000e-01  5.4367500000e-01 -2.1171240000e+00  2.8878300000e-01  1.0568500000e-01 -6.7663000000e-01
+ENERGY -1.526614496038e+02
+FORCES -6.2960000000e-03 -1.6470000000e-04  3.3712000000e-03  2.6164000000e-03 -4.0002000000e-03 -1.7169000000e-03  3.1770000000e-03  3.5371000000e-03 -2.0570000000e-04  4.5780000000e-03 -1.7127000000e-03  4.9497000000e-03 -1.7271000000e-03 -8.7680000000e-04  3.2104000000e-03 -2.3483000000e-03  3.2174000000e-03 -9.6085000000e-03
+
+JOB 42
+COORDS  1.3658900000e-01  9.5967800000e-01 -1.2013810000e+00 -2.8940000000e-02  3.8636700000e-01 -4.5295200000e-01  1.0089400000e-01  1.8446310000e+00 -8.3831500000e-01 -1.1510000000e-01 -9.2005700000e-01  1.0903490000e+00 -6.0142200000e-01 -9.9890000000e-01  1.9110230000e+00  2.4475900000e-01 -1.7941510000e+00  9.3971000000e-01
+ENERGY -1.526615297109e+02
+FORCES -1.0562000000e-03 -2.6077000000e-03  8.4002000000e-03  1.2369000000e-03  5.4994000000e-03 -8.0484000000e-03 -1.5390000000e-04 -2.6178000000e-03 -9.6450000000e-04 -5.3790000000e-04 -3.4933000000e-03  2.2696000000e-03  2.7583000000e-03 -6.4010000000e-04 -3.3024000000e-03 -2.2472000000e-03  3.8595000000e-03  1.6455000000e-03
+
+JOB 43
+COORDS  3.0015000000e-01  1.9641200000e-01  1.5258150000e+00  1.2194240000e+00  6.9748000000e-02  1.2910290000e+00 -1.5512700000e-01  2.6180300000e-01  6.8636300000e-01 -3.6081700000e-01 -1.9106900000e-01 -1.4105530000e+00  2.9047600000e-01 -8.3848200000e-01 -1.6805620000e+00 -3.9349100000e-01  4.3320000000e-01 -2.1354330000e+00
+ENERGY -1.526601267762e+02
+FORCES  1.2810000000e-04 -5.4250000000e-04 -9.4008000000e-03 -2.2294000000e-03 -9.3400000000e-05  1.2401000000e-03  1.7500000000e-03  1.1279000000e-03  8.6798000000e-03  2.1479000000e-03 -1.0122000000e-03 -4.9372000000e-03 -2.5033000000e-03  3.8214000000e-03  1.1706000000e-03  7.0680000000e-04 -3.3012000000e-03  3.2476000000e-03
+
+JOB 44
+COORDS  5.2354600000e-01 -1.6529000000e-02  1.3881550000e+00  3.9055000000e-02 -7.7588200000e-01  1.7120130000e+00  2.5913300000e-01  7.0050100000e-01  1.9645100000e+00 -4.7203600000e-01 -4.4059000000e-02 -1.4600830000e+00 -5.3847400000e-01  3.1474400000e-01 -5.7516600000e-01 -5.2144900000e-01  7.2078300000e-01 -2.0335000000e+00
+ENERGY -1.526577680662e+02
+FORCES  9.8500000000e-05 -2.9315000000e-03  5.5586000000e-03  1.6413000000e-03  4.7161000000e-03 -1.8273000000e-03  2.3890000000e-04 -3.0142000000e-03 -4.5398000000e-03  2.7752000000e-03  3.5583000000e-03  5.4507000000e-03 -5.0706000000e-03 -2.4200000000e-05 -7.4589000000e-03  3.1680000000e-04 -2.3044000000e-03  2.8165000000e-03
+
+JOB 45
+COORDS -8.8180500000e-01 -2.1721800000e-01 -1.2846120000e+00 -6.1749000000e-01 -6.4511900000e-01 -4.7019800000e-01 -1.0787550000e+00  6.8401800000e-01 -1.0292380000e+00  8.5272700000e-01  2.4370000000e-01  1.2012040000e+00  1.4633460000e+00 -3.6959300000e-01  7.9224500000e-01  7.0229500000e-01 -1.1478300000e-01  2.0759000000e+00
+ENERGY -1.526577967925e+02
+FORCES  2.5219000000e-03  4.6638000000e-03  8.7757000000e-03 -1.2899000000e-03 -2.9557000000e-03 -5.0635000000e-03 -1.0329000000e-03 -2.7309000000e-03 -3.0067000000e-03  4.7168000000e-03 -1.9302000000e-03  2.1306000000e-03 -4.8077000000e-03  1.8778000000e-03  2.1106000000e-03 -1.0820000000e-04  1.0753000000e-03 -4.9466000000e-03
+
+JOB 46
+COORDS -3.8729700000e-01 -1.2604700000e+00  8.6188800000e-01 -8.2305400000e-01 -5.1486700000e-01  4.4906200000e-01  3.3926200000e-01 -8.7348800000e-01  1.3503440000e+00  4.2762300000e-01  1.1953320000e+00 -8.1589800000e-01 -4.6365200000e-01  1.5196980000e+00 -6.8687600000e-01  4.5185800000e-01  9.1801200000e-01 -1.7317240000e+00
+ENERGY -1.526548521312e+02
+FORCES  5.1956000000e-03  8.4559000000e-03 -2.7846000000e-03 -3.2102000000e-03 -2.2630000000e-03  1.7191000000e-03 -3.0772000000e-03 -3.0819000000e-03  4.0380000000e-04 -1.7004000000e-03 -3.9590000000e-04 -4.9586000000e-03  3.3509000000e-03 -4.5836000000e-03  1.4042000000e-03 -5.5860000000e-04  1.8686000000e-03  4.2161000000e-03
+
+JOB 47
+COORDS -9.9676000000e-01  1.1046380000e+00 -8.3798000000e-02 -3.7638500000e-01  1.8185380000e+00 -2.3115400000e-01 -1.5626200000e+00  1.4200430000e+00  6.2086900000e-01  9.5486700000e-01 -1.1947960000e+00  2.2469000000e-02  7.4833000000e-01 -2.7503700000e-01  1.8865100000e-01  1.7714270000e+00 -1.3471320000e+00  4.9813200000e-01
+ENERGY -1.526566640697e+02
+FORCES -3.9188000000e-03  4.5299000000e-03  1.5368000000e-03 -8.7490000000e-04 -5.8324000000e-03  2.0914000000e-03  2.9222000000e-03 -9.6360000000e-04 -3.5392000000e-03 -2.1460000000e-03  4.8380000000e-03  1.7975000000e-03  7.5893000000e-03 -4.1711000000e-03 -3.5560000000e-04 -3.5719000000e-03  1.5992000000e-03 -1.5309000000e-03
+
+JOB 48
+COORDS -4.6916200000e-01  5.4027800000e-01  1.4296580000e+00 -1.3164990000e+00  2.5016800000e-01  1.0918870000e+00  1.6543200000e-01  2.3154400000e-01  7.8297000000e-01  4.2802600000e-01 -5.1178400000e-01 -1.3390070000e+00  1.0252400000e+00 -1.2209600000e+00 -1.5769930000e+00  8.3153400000e-01  2.7497600000e-01 -1.7056420000e+00
+ENERGY -1.526601008528e+02
+FORCES -3.4970000000e-04 -5.0922000000e-03 -8.3516000000e-03  1.6334000000e-03  1.7057000000e-03  2.6243000000e-03 -5.2960000000e-04  4.3021000000e-03  6.6994000000e-03  3.4177000000e-03 -6.4320000000e-04 -5.1693000000e-03 -2.6003000000e-03  3.8029000000e-03  1.1556000000e-03 -1.5715000000e-03 -4.0753000000e-03  3.0416000000e-03
+
+JOB 49
+COORDS -1.4360100000e+00  5.6114800000e-01  1.1788500000e-01 -9.2224800000e-01  1.2551000000e-02 -4.7483900000e-01 -2.3444570000e+00  4.1285300000e-01 -1.4472500000e-01  1.4401290000e+00 -4.7873800000e-01 -1.2019000000e-01  9.8515700000e-01 -1.2291570000e+00  2.6204700000e-01  2.2434060000e+00 -3.9771900000e-01  3.9402200000e-01
+ENERGY -1.526557268260e+02
+FORCES  1.3175000000e-03 -1.2138000000e-03 -4.3408000000e-03 -5.6800000000e-03 -5.7480000000e-04  3.1291000000e-03  4.2333000000e-03  1.7410000000e-04  1.0969000000e-03  2.4556000000e-03 -6.8970000000e-04  5.9635000000e-03  5.6910000000e-04  3.4563000000e-03 -3.7423000000e-03 -2.8954000000e-03 -1.1521000000e-03 -2.1063000000e-03
+
+JOB 50
+COORDS  8.2296400000e-01 -1.2193760000e+00 -5.9470400000e-01  5.4199400000e-01 -4.5573300000e-01 -9.0583000000e-02  1.5508890000e+00 -9.0024200000e-01 -1.1280980000e+00 -8.6490700000e-01  1.1011020000e+00  6.2340300000e-01 -3.1540800000e-01  1.7996190000e+00  9.7886900000e-01 -1.1505280000e+00  1.4305610000e+00 -2.2871800000e-01
+ENERGY -1.526594825444e+02
+FORCES -1.3830000000e-03  5.9925000000e-03  2.7200000000e-03  6.4489000000e-03 -6.0065000000e-03 -5.0680000000e-03 -3.0005000000e-03 -2.7040000000e-04  1.9639000000e-03 -3.2882000000e-03  6.2081000000e-03 -1.2532000000e-03 -1.5090000000e-03 -4.4095000000e-03 -2.7137000000e-03  2.7318000000e-03 -1.5142000000e-03  4.3509000000e-03
+
+JOB 51
+COORDS -5.0045000000e-02  1.3976820000e+00 -8.0034100000e-01  3.8483100000e-01  7.6778900000e-01 -2.2558000000e-01 -2.8737000000e-01  2.1242690000e+00 -2.2416500000e-01  8.6127000000e-02 -1.3562560000e+00  7.3051000000e-01 -5.6603100000e-01 -1.4849340000e+00  1.4192510000e+00 -1.0475500000e-01 -2.0400630000e+00  8.8480000000e-02
+ENERGY -1.526593273640e+02
+FORCES  9.3170000000e-04 -3.4409000000e-03  6.0439000000e-03 -2.2430000000e-04  7.5177000000e-03 -4.3918000000e-03  5.5880000000e-04 -2.6621000000e-03 -1.7313000000e-03 -5.0367000000e-03 -4.1302000000e-03 -6.2000000000e-04  2.8910000000e-03  2.7690000000e-04 -2.8211000000e-03  8.7950000000e-04  2.4385000000e-03  3.5204000000e-03
+
+JOB 52
+COORDS -4.3294900000e-01 -3.6581300000e-01 -1.4428110000e+00 -8.2778100000e-01  3.0874500000e-01 -1.9953610000e+00  1.6608700000e-01 -8.3284400000e-01 -2.0252800000e+00  4.3851900000e-01  3.1846800000e-01  1.5643870000e+00  1.8227000000e-01  1.2395360000e+00  1.5174500000e+00  4.0976900000e-01  1.4832000000e-02  6.5707700000e-01
+ENERGY -1.526597498165e+02
+FORCES -1.0387000000e-03  4.9430000000e-04 -6.5175000000e-03  2.1268000000e-03 -3.1519000000e-03  2.2185000000e-03 -2.6319000000e-03  2.6186000000e-03  2.9937000000e-03 -3.0201000000e-03  1.1920000000e-03 -7.3789000000e-03  9.2880000000e-04 -2.6010000000e-03  6.4290000000e-04  3.6351000000e-03  1.4479000000e-03  8.0413000000e-03
+
+JOB 53
+COORDS -1.4374240000e+00 -1.8665400000e-01 -8.3368600000e-01 -8.0633400000e-01  3.2097000000e-01 -3.2351400000e-01 -1.1900060000e+00 -3.0769000000e-02 -1.7451220000e+00  1.3956210000e+00  1.1351500000e-01  7.9622300000e-01  8.9557700000e-01 -2.3959800000e-01  1.5320900000e+00  1.6933150000e+00  9.7168300000e-01  1.0981450000e+00
+ENERGY -1.526579352531e+02
+FORCES  7.1982000000e-03  2.1823000000e-03 -1.2515000000e-03 -7.1674000000e-03 -8.6730000000e-04 -1.5098000000e-03 -1.6319000000e-03 -3.2720000000e-04  2.9085000000e-03  2.5189000000e-03 -2.9810000000e-04  6.0935000000e-03  1.5616000000e-03  3.0817000000e-03 -4.1998000000e-03 -2.4793000000e-03 -3.7715000000e-03 -2.0410000000e-03
+
+JOB 54
+COORDS -8.4843500000e-01 -1.4842080000e+00  1.2859000000e-01 -5.9182300000e-01 -8.1731500000e-01  7.6548600000e-01 -5.4465400000e-01 -1.1424570000e+00 -7.1233500000e-01  8.5179100000e-01  1.4280100000e+00 -6.2525000000e-02  2.7851600000e-01  2.1125380000e+00 -4.0749900000e-01  7.6901300000e-01  7.0799400000e-01 -6.8779000000e-01
+ENERGY -1.526540334029e+02
+FORCES  2.2225000000e-03  4.9782000000e-03  8.1940000000e-04 -1.9393000000e-03 -4.6755000000e-03 -3.5018000000e-03  4.9640000000e-04  3.5270000000e-04  2.5721000000e-03 -1.3433000000e-03  1.9893000000e-03 -4.9461000000e-03  2.5628000000e-03 -3.6422000000e-03  1.6088000000e-03 -1.9991000000e-03  9.9750000000e-04  3.4477000000e-03
+
+JOB 55
+COORDS -6.8351000000e-02 -1.6850760000e+00  2.7088200000e-01 -9.7709900000e-01 -1.4099670000e+00  1.4953800000e-01  3.8157400000e-01 -8.9819500000e-01  5.7848500000e-01  8.3000000000e-02  1.6406560000e+00 -2.1706100000e-01 -4.6913100000e-01  1.8544180000e+00 -9.6918400000e-01  8.5733100000e-01  1.2263370000e+00 -5.9782700000e-01
+ENERGY -1.526568550579e+02
+FORCES -3.3971000000e-03  6.8672000000e-03  1.8959000000e-03  2.8359000000e-03 -2.7071000000e-03 -2.5630000000e-04  1.3070000000e-03 -4.6202000000e-03 -2.1289000000e-03  7.8680000000e-04  8.2450000000e-04 -6.5076000000e-03  2.2433000000e-03 -9.0750000000e-04  3.4642000000e-03 -3.7760000000e-03  5.4310000000e-04  3.5327000000e-03
+
+JOB 56
+COORDS -3.5052100000e-01 -1.5696000000e+00  4.7833000000e-01 -2.2293000000e-01 -9.3907900000e-01  1.1871290000e+00  4.3296700000e-01 -2.1189830000e+00  5.0191300000e-01  3.4302000000e-01  1.5998630000e+00 -4.8534800000e-01 -5.6203000000e-02  7.5182000000e-01 -2.9124500000e-01 -4.8926000000e-02  1.8647950000e+00 -1.3174660000e+00
+ENERGY -1.526579256515e+02
+FORCES  4.6223000000e-03 -3.3715000000e-03  4.5464000000e-03 -7.8450000000e-04 -8.2630000000e-04 -6.2667000000e-03 -3.9053000000e-03  2.2070000000e-03  2.5410000000e-04 -3.6622000000e-03 -4.1754000000e-03 -3.8530000000e-03  2.0787000000e-03  6.8554000000e-03  2.2596000000e-03  1.6509000000e-03 -6.8930000000e-04  3.0595000000e-03
+
+JOB 57
+COORDS  3.2031300000e-01 -1.4769640000e+00  8.6156500000e-01  4.3747000000e-01 -1.0858460000e+00  1.7273200000e+00  8.6600900000e-01 -9.4522900000e-01  2.8216400000e-01 -3.0027000000e-01  1.3982730000e+00 -8.6475300000e-01 -5.0565600000e-01  2.1374130000e+00 -1.4372220000e+00 -1.1525460000e+00  1.0860820000e+00 -5.6079000000e-01
+ENERGY -1.526579776255e+02
+FORCES  3.8076000000e-03  4.7941000000e-03  1.1920000000e-04 -9.4250000000e-04 -1.7727000000e-03 -3.0597000000e-03 -1.7609000000e-03 -4.4633000000e-03  3.6112000000e-03 -5.2056000000e-03  1.7462000000e-03 -1.4889000000e-03  4.5190000000e-04 -3.1031000000e-03  2.5201000000e-03  3.6495000000e-03  2.7987000000e-03 -1.7019000000e-03
+
+JOB 58
+COORDS -1.8704900000e-01  1.7309260000e+00 -3.0931000000e-02 -4.8217300000e-01  1.0637080000e+00 -6.5057200000e-01 -9.9258300000e-01  2.1490870000e+00  2.7318700000e-01  2.5965100000e-01 -1.6724780000e+00 -4.2250000000e-03 -4.6960200000e-01 -2.2258430000e+00  2.7543300000e-01  9.4764900000e-01 -1.8383120000e+00  6.4028300000e-01
+ENERGY -1.526559332913e+02
+FORCES -3.6798000000e-03 -3.5891000000e-03 -1.6025000000e-03 -2.4320000000e-04  5.7784000000e-03  1.5138000000e-03  2.9743000000e-03 -1.7788000000e-03 -9.5870000000e-04  1.3073000000e-03 -2.5064000000e-03  5.2062000000e-03  2.6467000000e-03  2.6640000000e-03 -1.3776000000e-03 -3.0053000000e-03 -5.6820000000e-04 -2.7813000000e-03
+
+JOB 59
+COORDS  1.6584170000e+00  6.0479400000e-01 -1.9958100000e-01  8.6847600000e-01  3.9098300000e-01 -6.9607900000e-01  2.3792300000e+00  3.1719500000e-01 -7.5989100000e-01 -1.6310650000e+00 -5.5746100000e-01  3.2084200000e-01 -2.3539010000e+00 -1.1467410000e+00  1.0523100000e-01 -1.2946460000e+00 -2.6977300000e-01 -5.2785700000e-01
+ENERGY -1.526509380877e+02
+FORCES -1.5920000000e-04 -2.7409000000e-03 -3.5041000000e-03  1.1378000000e-03  1.0645000000e-03  5.2060000000e-04 -3.1414000000e-03  1.2935000000e-03  2.5337000000e-03 -2.8933000000e-03 -1.7568000000e-03 -4.0024000000e-03  3.2552000000e-03  2.6486000000e-03  1.2670000000e-03  1.8008000000e-03 -5.0880000000e-04  3.1852000000e-03
+
+JOB 60
+COORDS  9.4476500000e-01 -1.4936110000e+00  4.9531000000e-01  3.5167100000e-01 -1.0812290000e+00 -1.3271300000e-01  5.5068200000e-01 -1.3166100000e+00  1.3494760000e+00 -8.5491000000e-01  1.4471750000e+00 -4.6344600000e-01 -7.1629900000e-01  2.0487290000e+00 -1.1949860000e+00 -1.7631470000e+00  1.1600130000e+00 -5.5765700000e-01
+ENERGY -1.526569334761e+02
+FORCES -4.2780000000e-03  5.4155000000e-03  5.5090000000e-04  2.4168000000e-03 -5.2412000000e-03  2.1318000000e-03  1.4809000000e-03 -1.8140000000e-03 -2.6735000000e-03 -3.1626000000e-03  4.2224000000e-03 -3.7444000000e-03 -1.0972000000e-03 -2.7054000000e-03  3.1860000000e-03  4.6400000000e-03  1.2260000000e-04  5.4920000000e-04
+
+JOB 61
+COORDS  1.3529870000e+00  1.0063070000e+00 -6.4025200000e-01  1.3146560000e+00  9.4400000000e-02 -3.5182800000e-01  2.1993950000e+00  1.0833680000e+00 -1.0805770000e+00 -1.3497000000e+00 -9.7154800000e-01  6.0117500000e-01 -1.3700280000e+00 -1.2472390000e+00  1.5175880000e+00 -2.1531050000e+00 -4.6425700000e-01  4.8529800000e-01
+ENERGY -1.526562120859e+02
+FORCES  1.7018000000e-03 -4.5248000000e-03 -1.7030000000e-04  3.2193000000e-03  4.6323000000e-03 -1.6960000000e-03 -3.4054000000e-03 -3.8320000000e-04  1.7894000000e-03 -4.7165000000e-03  2.1634000000e-03  2.9813000000e-03  4.7460000000e-04  9.9990000000e-04 -3.8815000000e-03  2.7262000000e-03 -2.8876000000e-03  9.7700000000e-04
+
+JOB 62
+COORDS  8.5688700000e-01  1.0459760000e+00  1.2548580000e+00  4.1330800000e-01  1.8230620000e+00  9.1484900000e-01  7.1862400000e-01  1.0855030000e+00  2.2011940000e+00 -8.1605000000e-01 -1.1019890000e+00 -1.3502460000e+00 -2.8718800000e-01 -1.3439970000e+00 -5.9000300000e-01 -1.5472330000e+00 -6.0369300000e-01 -9.8513700000e-01
+ENERGY -1.526559243208e+02
+FORCES -1.2044000000e-03  4.9130000000e-03  2.4603000000e-03  1.4095000000e-03 -3.5175000000e-03  1.9295000000e-03  2.3850000000e-04 -5.2110000000e-04 -4.2513000000e-03  6.6490000000e-04  1.7887000000e-03  5.8899000000e-03 -3.1891000000e-03 -9.3340000000e-04 -4.0739000000e-03  2.0805000000e-03 -1.7297000000e-03 -1.9544000000e-03
+
+JOB 63
+COORDS -1.9079000000e-01  1.1917770000e+00 -1.4539650000e+00 -3.2856000000e-01  5.4301500000e-01 -2.1441530000e+00 -9.9983600000e-01  1.1737950000e+00 -9.4273700000e-01  2.4513700000e-01 -1.1239870000e+00  1.5248750000e+00 -6.9955000000e-02 -1.9953120000e+00  1.2845820000e+00  5.7048900000e-01 -7.5193800000e-01  7.0514400000e-01
+ENERGY -1.526564881355e+02
+FORCES -5.3201000000e-03 -3.6040000000e-04 -1.9645000000e-03  1.0332000000e-03  2.0920000000e-03  3.7286000000e-03  4.1293000000e-03 -5.2070000000e-04 -2.6722000000e-03  1.3423000000e-03 -1.3227000000e-03 -4.4802000000e-03  9.1370000000e-04  3.6348000000e-03  6.7040000000e-04 -2.0985000000e-03 -3.5230000000e-03  4.7180000000e-03
+
+JOB 64
+COORDS -3.1554400000e-01 -1.0584140000e+00  1.5899620000e+00  4.3221000000e-01 -1.6361800000e+00  1.4373740000e+00 -3.1221100000e-01 -4.5934300000e-01  8.4341400000e-01  2.8557700000e-01  1.0021460000e+00 -1.5111100000e+00  9.1325000000e-02  1.8433020000e+00 -1.0976440000e+00  2.7706700000e-01  1.1885640000e+00 -2.4499430000e+00
+ENERGY -1.526576076731e+02
+FORCES  3.3547000000e-03  2.9930000000e-04 -5.4651000000e-03 -2.8127000000e-03  1.7064000000e-03  1.2703000000e-03 -8.4990000000e-04 -2.3110000000e-03  5.9297000000e-03 -5.0790000000e-04  4.7846000000e-03 -4.4229000000e-03  5.9340000000e-04 -4.3132000000e-03 -1.3032000000e-03  2.2240000000e-04 -1.6610000000e-04  3.9911000000e-03
+
+JOB 65
+COORDS -1.1533810000e+00  1.5330780000e+00  3.4222600000e-01 -1.6085880000e+00  9.6203900000e-01  9.6104100000e-01 -5.2653800000e-01  9.5887000000e-01 -9.7757000000e-02  1.0929310000e+00 -1.5078490000e+00 -3.3369000000e-01  1.4192960000e+00 -7.3246800000e-01  1.2292900000e-01  1.7033460000e+00 -1.6331580000e+00 -1.0602730000e+00
+ENERGY -1.526557157864e+02
+FORCES -5.6440000000e-04 -5.9312000000e-03 -1.2230000000e-04  1.9166000000e-03  2.9464000000e-03 -2.0450000000e-03 -9.6880000000e-04  4.2086000000e-03  2.9332000000e-03  5.8892000000e-03  4.9290000000e-04 -1.3065000000e-03 -3.5896000000e-03 -2.4035000000e-03 -2.8247000000e-03 -2.6830000000e-03  6.8680000000e-04  3.3654000000e-03
+
+JOB 66
+COORDS  8.5191400000e-01  4.2046700000e-01 -1.6991170000e+00  9.1014700000e-01  3.8848400000e-01 -2.6540080000e+00  1.1820710000e+00 -4.3017800000e-01 -1.4099240000e+00 -8.9519100000e-01 -3.5199400000e-01  1.8044660000e+00 -1.1312300000e-01 -8.4119100000e-01  1.5489500000e+00 -1.3434530000e+00 -1.6788700000e-01  9.7899800000e-01
+ENERGY -1.526545533157e+02
+FORCES  2.6777000000e-03 -2.9117000000e-03 -3.9955000000e-03 -2.6700000000e-04  6.9200000000e-05  4.1848000000e-03 -2.2829000000e-03  3.3333000000e-03 -2.4380000000e-04  1.5660000000e-03  1.1080000000e-04 -5.2687000000e-03 -2.7901000000e-03  1.1246000000e-03  1.0340000000e-03  1.0962000000e-03 -1.7263000000e-03  4.2891000000e-03
+
+JOB 67
+COORDS -1.4843000000e-01  1.1616720000e+00 -1.8004190000e+00 -6.3637700000e-01  4.0925200000e-01 -1.4657500000e+00  4.4824300000e-01  7.9084700000e-01 -2.4505750000e+00  1.7221300000e-01 -1.0632620000e+00  1.7585150000e+00 -3.5443400000e-01 -6.0522500000e-01  2.4135540000e+00  2.3777800000e-01 -1.9597820000e+00  2.0874310000e+00
+ENERGY -1.526550201853e+02
+FORCES  1.0576000000e-03 -5.3468000000e-03  6.3600000000e-05  1.0992000000e-03  3.6299000000e-03 -2.7095000000e-03 -2.4291000000e-03  1.6286000000e-03  2.1015000000e-03 -1.3961000000e-03 -1.3422000000e-03  4.9271000000e-03  1.9958000000e-03 -2.2834000000e-03 -2.7913000000e-03 -3.2740000000e-04  3.7138000000e-03 -1.5914000000e-03
+
+JOB 68
+COORDS -2.2618700000e-01  8.5303300000e-01 -1.8783650000e+00 -1.5108300000e-01  8.8112200000e-01 -2.8322010000e+00 -9.9485300000e-01  1.3886980000e+00 -1.6822820000e+00  2.9154300000e-01 -8.5415200000e-01  1.8664360000e+00 -4.1007900000e-01 -5.9455100000e-01  2.4635680000e+00  6.3530300000e-01 -1.6662350000e+00  2.2387020000e+00
+ENERGY -1.526525174710e+02
+FORCES -2.8678000000e-03  2.1708000000e-03 -2.4845000000e-03 -1.7770000000e-04 -2.5050000000e-04  3.9627000000e-03  3.0083000000e-03 -2.0261000000e-03 -9.8830000000e-04 -1.3701000000e-03 -2.3740000000e-03  3.4630000000e-03  2.7717000000e-03 -8.8440000000e-04 -2.4880000000e-03 -1.3644000000e-03  3.3642000000e-03 -1.4648000000e-03
+
+JOB 69
+COORDS -4.9400800000e-01  4.5247200000e-01 -2.1724650000e+00 -7.7056100000e-01  1.3353200000e-01 -1.3133790000e+00  3.3065000000e-01 -2.4860000000e-03 -2.3432960000e+00  4.5397000000e-01 -4.6914100000e-01  2.1363070000e+00  1.1386000000e-02  1.4227100000e-01  1.5476420000e+00  1.0525150000e+00  7.8017000000e-02  2.6448280000e+00
+ENERGY -1.526540639251e+02
+FORCES  2.2530000000e-03 -4.1795000000e-03  1.9940000000e-03  1.2921000000e-03  2.4283000000e-03 -2.5431000000e-03 -3.5051000000e-03  2.2859000000e-03  6.5030000000e-04  1.0013000000e-03  5.3206000000e-03  8.7600000000e-04  1.4972000000e-03 -3.4042000000e-03  1.1481000000e-03 -2.5384000000e-03 -2.4512000000e-03 -2.1253000000e-03
+
+JOB 70
+COORDS -4.8515300000e-01  1.3381770000e+00  1.6896630000e+00 -2.0236400000e-01  1.4953850000e+00  2.5905230000e+00 -7.6153900000e-01  4.2178600000e-01  1.6813460000e+00  4.2596000000e-01 -1.3070310000e+00 -1.7640640000e+00  8.2127500000e-01 -1.5726590000e+00 -9.3376300000e-01  1.1293450000e+00 -8.5646800000e-01 -2.2314770000e+00
+ENERGY -1.526540836816e+02
+FORCES -8.2670000000e-04 -2.9694000000e-03  3.4003000000e-03 -9.6250000000e-04 -7.3530000000e-04 -3.8407000000e-03  1.7801000000e-03  3.6340000000e-03  5.3270000000e-04  4.7979000000e-03  1.6940000000e-03  1.2436000000e-03 -2.0481000000e-03  6.7450000000e-04 -2.9984000000e-03 -2.7407000000e-03 -2.2979000000e-03  1.6625000000e-03
+
+JOB 71
+COORDS -6.2492000000e-01 -1.6844980000e+00 -1.4140570000e+00 -8.1537500000e-01 -7.8292700000e-01 -1.1549660000e+00 -5.3976200000e-01 -2.1589550000e+00 -5.8709200000e-01  6.9273600000e-01  1.6405090000e+00  1.3478650000e+00 -9.1234000000e-02  1.1080210000e+00  1.2134030000e+00  3.6015300000e-01  2.5284320000e+00  1.4790670000e+00
+ENERGY -1.526531051126e+02
+FORCES  3.9740000000e-04  1.5350000000e-03  3.9793000000e-03  1.5570000000e-04 -3.6401000000e-03 -2.5630000000e-04 -7.6790000000e-04  2.3079000000e-03 -3.3271000000e-03 -4.2354000000e-03  2.2946000000e-03  6.2800000000e-04  3.0704000000e-03  1.4261000000e-03 -4.0620000000e-04  1.3799000000e-03 -3.9236000000e-03 -6.1770000000e-04
+
+JOB 72
+COORDS  1.0623100000e+00 -1.8387860000e+00 -9.4759100000e-01  1.9728760000e+00 -1.8329780000e+00 -6.5251900000e-01  5.5181000000e-01 -1.9676220000e+00 -1.4820200000e-01 -1.1312080000e+00  1.8802880000e+00  8.5251800000e-01 -5.2703500000e-01  2.1871250000e+00  1.5285780000e+00 -9.1691400000e-01  9.5399700000e-01  7.4163200000e-01
+ENERGY -1.526535695108e+02
+FORCES  2.2745000000e-03 -1.4661000000e-03  3.8092000000e-03 -4.0239000000e-03  9.8500000000e-05 -1.0600000000e-03  1.8006000000e-03  1.6912000000e-03 -3.0716000000e-03  3.5590000000e-03 -2.3827000000e-03  1.5479000000e-03 -2.4871000000e-03 -1.4014000000e-03 -2.6414000000e-03 -1.1231000000e-03  3.4606000000e-03  1.4158000000e-03
+
+JOB 73
+COORDS -2.2299000000e-01  2.0823730000e+00  1.2246580000e+00  4.8786000000e-01  1.4565980000e+00  1.0856280000e+00 -5.0895400000e-01  1.9247170000e+00  2.1244360000e+00  2.4720600000e-01 -2.0894940000e+00 -1.2578040000e+00 -6.4097800000e-01 -2.0917870000e+00 -9.0093500000e-01  3.2323600000e-01 -1.2475940000e+00 -1.7068660000e+00
+ENERGY -1.526549505242e+02
+FORCES  2.1135000000e-03 -2.9293000000e-03  3.6937000000e-03 -3.3047000000e-03  2.7053000000e-03  1.4550000000e-04  1.0515000000e-03  6.2170000000e-04 -3.7660000000e-03 -3.8609000000e-03  3.2235000000e-03 -1.0960000000e-03  3.8847000000e-03 -1.2970000000e-04 -1.2127000000e-03  1.1590000000e-04 -3.4916000000e-03  2.2355000000e-03
+
+JOB 74
+COORDS -8.6159500000e-01  3.3480500000e-01 -2.2864240000e+00 -5.0684100000e-01  1.6409700000e-01 -3.1589140000e+00 -3.3919700000e-01  1.0645290000e+00 -1.9535040000e+00  8.0692800000e-01 -4.3220900000e-01  2.3027880000e+00  1.1747200000e+00 -1.3440000000e-02  3.0809870000e+00  4.9519600000e-01  2.9475300000e-01  1.7637330000e+00
+ENERGY -1.526536410090e+02
+FORCES  3.6979000000e-03  1.8170000000e-03 -2.7132000000e-03 -1.5519000000e-03  8.6710000000e-04  3.5547000000e-03 -2.1909000000e-03 -2.8910000000e-03 -7.0960000000e-04 -2.6300000000e-04  4.4372000000e-03  8.6060000000e-04 -1.4440000000e-03 -1.7085000000e-03 -3.2621000000e-03  1.7520000000e-03 -2.5219000000e-03  2.2696000000e-03
+
+JOB 75
+COORDS -1.3515620000e+00 -1.9209260000e+00 -6.0662000000e-01 -1.5838390000e+00 -2.8492090000e+00 -6.3049800000e-01 -1.9531390000e+00 -1.5070160000e+00 -1.2255020000e+00  1.3885060000e+00  1.9379970000e+00  5.7482300000e-01  2.1788170000e+00  1.7919630000e+00  1.0947400000e+00  7.7551300000e-01  2.3533150000e+00  1.1814380000e+00
+ENERGY -1.526535262936e+02
+FORCES -3.1278000000e-03 -1.6670000000e-03 -2.9385000000e-03  1.0078000000e-03  3.7702000000e-03  2.1790000000e-04  2.1785000000e-03 -1.9140000000e-03  2.6213000000e-03  4.3850000000e-04  2.5040000000e-04  4.7270000000e-03 -3.0473000000e-03  8.6800000000e-04 -2.1096000000e-03  2.5503000000e-03 -1.3075000000e-03 -2.5180000000e-03
+
+JOB 76
+COORDS  2.1015670000e+00  3.3435400000e-01  1.3367670000e+00  1.3659650000e+00  7.3727900000e-01  8.7549300000e-01  2.4294620000e+00  1.0238270000e+00  1.9141270000e+00 -2.0420740000e+00 -4.1945100000e-01 -1.3903580000e+00 -2.0464260000e+00  4.4893000000e-01 -9.8770800000e-01 -2.6926920000e+00 -9.1695200000e-01 -8.9495700000e-01
+ENERGY -1.526537471014e+02
+FORCES -1.5571000000e-03  4.1966000000e-03  2.1800000000e-05  2.8756000000e-03 -1.1680000000e-03  2.3551000000e-03 -1.4635000000e-03 -2.8285000000e-03 -2.3430000000e-03 -3.1802000000e-03  9.5640000000e-04  3.4716000000e-03  6.7690000000e-04 -3.4086000000e-03 -1.3968000000e-03  2.6483000000e-03  2.2521000000e-03 -2.1086000000e-03
+
+JOB 77
+COORDS  6.8948400000e-01 -1.8563510000e+00 -1.7067070000e+00  5.6826400000e-01 -9.7510400000e-01 -1.3532380000e+00  8.6350600000e-01 -1.7195580000e+00 -2.6379620000e+00 -7.0427600000e-01  1.7721380000e+00  1.8092310000e+00 -4.1862300000e-01  1.2619760000e+00  1.0513600000e+00 -8.0506100000e-01  2.6632260000e+00  1.4745140000e+00
+ENERGY -1.526529340199e+02
+FORCES  4.0850000000e-04  3.7623000000e-03 -2.7459000000e-03  1.9380000000e-04 -3.0235000000e-03 -9.0910000000e-04 -7.6400000000e-04 -5.0400000000e-04  3.9935000000e-03  5.4510000000e-04  1.6857000000e-03 -4.0680000000e-03 -8.7760000000e-04  1.9187000000e-03  2.4509000000e-03  4.9420000000e-04 -3.8392000000e-03  1.2786000000e-03
+
+JOB 78
+COORDS  1.6897600000e-01 -1.3124900000e-01  2.7707180000e+00  2.1233300000e-01  1.6395900000e-01  1.8612100000e+00  3.9456200000e-01  6.4355100000e-01  3.2855270000e+00 -1.8908500000e-01  1.8208000000e-02 -2.7285740000e+00 -9.0230300000e-01  6.1900900000e-01 -2.9444230000e+00  6.0708800000e-01  5.0229100000e-01 -2.9476720000e+00
+ENERGY -1.526543792076e+02
+FORCES  1.0009000000e-03  4.0378000000e-03 -2.0365000000e-03 -3.5200000000e-05 -8.1780000000e-04  4.2873000000e-03 -9.0110000000e-04 -3.0700000000e-03 -2.0742000000e-03  1.8350000000e-04  4.1308000000e-03 -2.5633000000e-03  3.0704000000e-03 -2.3868000000e-03  1.1221000000e-03 -3.3185000000e-03 -1.8940000000e-03  1.2645000000e-03
+
+JOB 79
+COORDS  1.7967600000e-01  1.9505430000e+00  2.5463880000e+00 -7.5440200000e-01  2.0911590000e+00  2.3916090000e+00  4.4411200000e-01  2.6842870000e+00  3.1012970000e+00 -1.4886500000e-01 -2.0371770000e+00 -2.6067200000e+00 -4.3071100000e-01 -1.1255590000e+00 -2.6825320000e+00  2.3493100000e-01 -2.0977550000e+00 -1.7319270000e+00
+ENERGY -1.526544936345e+02
+FORCES -2.6580000000e-03  3.7372000000e-03  1.9677000000e-03  3.8517000000e-03 -6.7780000000e-04  4.2570000000e-04 -1.1333000000e-03 -3.0012000000e-03 -2.3051000000e-03  6.3760000000e-04  3.5707000000e-03  3.4569000000e-03  9.6950000000e-04 -3.7105000000e-03  1.6100000000e-04 -1.6675000000e-03  8.1600000000e-05 -3.7061000000e-03
+
+JOB 80
+COORDS  3.6607700000e-01  2.1528880000e+00  2.4348470000e+00  3.1236000000e-01  2.2103960000e+00  3.3888060000e+00 -2.1392600000e-01  1.4268940000e+00  2.2051500000e+00 -3.1664000000e-01 -2.1134020000e+00 -2.4080040000e+00 -1.0948600000e-01 -2.7626620000e+00 -3.0801500000e+00 -8.0132300000e-01 -1.4319900000e+00 -2.8738280000e+00
+ENERGY -1.526542764432e+02
+FORCES -2.4727000000e-03 -3.0359000000e-03  2.8073000000e-03  2.0660000000e-04 -1.5790000000e-04 -3.8341000000e-03  2.2252000000e-03  3.2240000000e-03  1.0852000000e-03 -9.2870000000e-04  1.8600000000e-04 -4.7859000000e-03 -8.9850000000e-04  2.6225000000e-03  2.7414000000e-03  1.8682000000e-03 -2.8385000000e-03  1.9862000000e-03
+
+JOB 81
+COORDS -8.1658300000e-01 -2.3401240000e+00 -2.2901490000e+00 -1.3438870000e+00 -1.5852360000e+00 -2.5515460000e+00  8.8237000000e-02 -2.0342960000e+00 -2.3534010000e+00  7.9621300000e-01  2.2528880000e+00  2.2496040000e+00  1.5189400000e+00  2.1995910000e+00  2.8749500000e+00  1.6280400000e-01  2.8386430000e+00  2.6642300000e+00
+ENERGY -1.526542952296e+02
+FORCES  1.6377000000e-03  4.6201000000e-03 -9.5350000000e-04  2.0155000000e-03 -3.1791000000e-03  8.5640000000e-04 -3.6446000000e-03 -1.4384000000e-03  2.4400000000e-05  3.1090000000e-04  2.0747000000e-03  4.4137000000e-03 -2.9186000000e-03  2.6450000000e-04 -2.5960000000e-03  2.5990000000e-03 -2.3418000000e-03 -1.7450000000e-03
+
+JOB 82
+COORDS  5.6184100000e-01  3.3017470000e+00  7.3355700000e-01  6.5364800000e-01  3.9800080000e+00  6.4405000000e-02 -3.7276200000e-01  3.2933820000e+00  9.4014500000e-01 -5.2752000000e-01 -3.2910280000e+00 -6.6925000000e-01 -5.7294800000e-01 -3.3391520000e+00 -1.6241590000e+00 -2.3784600000e-01 -4.1622620000e+00 -3.9856000000e-01
+ENERGY -1.526538776063e+02
+FORCES -3.5555000000e-03  2.4127000000e-03 -1.8887000000e-03 -3.2720000000e-04 -2.7089000000e-03  2.7080000000e-03  3.8303000000e-03  2.6100000000e-04 -8.2210000000e-04  1.2072000000e-03 -3.6434000000e-03 -2.7466000000e-03  8.9400000000e-05  1.6270000000e-04  3.8673000000e-03 -1.2442000000e-03  3.5158000000e-03 -1.1180000000e-03
+
+JOB 83
+COORDS -2.8076500000e-01 -6.6157000000e-02  3.9135280000e+00 -9.7910000000e-01  1.4140000000e-01  3.2926570000e+00  5.1607200000e-01 -7.8008000000e-02  3.3833000000e+00  2.9371200000e-01  1.1800000000e-04 -3.8798910000e+00 -3.1009700000e-01  3.0618000000e-02 -3.1377880000e+00  5.6705300000e-01  9.0897300000e-01 -4.0043880000e+00
+ENERGY -1.526538628003e+02
+FORCES  4.5960000000e-04  6.8980000000e-04 -4.5740000000e-03  2.8648000000e-03 -7.9480000000e-04  2.4295000000e-03 -3.3396000000e-03  1.2570000000e-04  2.1024000000e-03 -1.3929000000e-03  3.8532000000e-03  2.2602000000e-03  2.5318000000e-03 -1.2180000000e-04 -2.8449000000e-03 -1.1236000000e-03 -3.7521000000e-03  6.2680000000e-04
+
+JOB 84
+COORDS  2.9187000000e-01 -3.8204790000e+00 -5.6335000000e-01  7.6558000000e-01 -4.5623690000e+00 -1.8728000000e-01  7.6439300000e-01 -3.6184870000e+00 -1.3709100000e+00 -3.7928400000e-01  3.8961150000e+00  5.4833900000e-01  2.4620000000e-01  4.0850950000e+00  1.2478300000e+00 -4.0831300000e-01  2.9403790000e+00  5.0410200000e-01
+ENERGY -1.526542824638e+02
+FORCES  3.7994000000e-03 -2.4009000000e-03 -1.8574000000e-03 -1.9100000000e-03  3.0827000000e-03 -1.5129000000e-03 -1.9076000000e-03 -7.3510000000e-04  3.3681000000e-03  2.3304000000e-03 -3.2721000000e-03  2.7082000000e-03 -2.5016000000e-03 -7.0610000000e-04 -2.8534000000e-03  1.8940000000e-04  4.0316000000e-03  1.4750000000e-04
+
+JOB 85
+COORDS -1.1820570000e+00  3.2903290000e+00  1.9444070000e+00 -6.5479500000e-01  3.9971250000e+00  1.5720280000e+00 -1.3341360000e+00  2.6929570000e+00  1.2121160000e+00  1.1263610000e+00 -3.2931590000e+00 -1.8259280000e+00  1.5008540000e+00 -4.0944810000e+00 -2.1918090000e+00  1.3529370000e+00 -2.6116590000e+00 -2.4587420000e+00
+ENERGY -1.526540490156e+02
+FORCES  1.5434000000e-03  2.6370000000e-04 -4.4705000000e-03 -2.1455000000e-03 -2.8380000000e-03  1.4990000000e-03  6.0700000000e-04  2.5886000000e-03  2.9396000000e-03  2.5153000000e-03 -6.5270000000e-04 -4.0459000000e-03 -1.5342000000e-03  3.3076000000e-03  1.4691000000e-03 -9.8600000000e-04 -2.6692000000e-03  2.6088000000e-03
+
+JOB 86
+COORDS -3.6121400000e-01 -4.1252790000e+00  2.8686330000e+00 -9.0407100000e-01 -3.7822140000e+00  3.5784540000e+00 -4.0691000000e-02 -4.9656040000e+00  3.1962770000e+00  3.2907500000e-01  4.1233220000e+00 -2.9639760000e+00  1.2437300000e+00  3.8796370000e+00 -2.8216580000e+00  2.3132700000e-01  4.9622070000e+00 -2.5134780000e+00
+ENERGY -1.526540269636e+02
+FORCES -9.6100000000e-04 -2.0258000000e-03  4.1952000000e-03  2.2406000000e-03 -1.4028000000e-03 -2.8731000000e-03 -1.2886000000e-03  3.4337000000e-03 -1.3288000000e-03  3.3403000000e-03  2.3246000000e-03  2.4662000000e-03 -3.7204000000e-03  1.0599000000e-03 -6.1000000000e-04  3.8920000000e-04 -3.3896000000e-03 -1.8495000000e-03
+
+JOB 87
+COORDS  4.4705800000e+00  3.4226350000e+00 -1.5155180000e+00  5.2125550000e+00  2.9767230000e+00 -1.1070240000e+00  4.2143500000e+00  2.8495080000e+00 -2.2380850000e+00 -4.5507390000e+00 -3.4067680000e+00  1.5479250000e+00 -3.6334340000e+00 -3.5324720000e+00  1.7907890000e+00 -4.5584420000e+00 -2.5855550000e+00  1.0562120000e+00
+ENERGY -1.526540783767e+02
+FORCES  2.0547000000e-03 -4.1060000000e-03 -1.3161000000e-03 -3.0611000000e-03  1.7979000000e-03 -1.6563000000e-03  1.0044000000e-03  2.3146000000e-03  2.9762000000e-03  3.6919000000e-03  2.8743000000e-03 -9.8760000000e-04 -3.7297000000e-03  4.9180000000e-04 -1.0063000000e-03  3.9800000000e-05 -3.3727000000e-03  1.9901000000e-03
+
+JOB 88
+COORDS  6.2995690000e+00 -4.5182310000e+00  9.4973700000e-01  5.8030420000e+00 -3.7347530000e+00  7.1340000000e-01  5.7057750000e+00 -5.2447870000e+00  7.6064100000e-01 -6.2774040000e+00  4.4697960000e+00 -9.3666600000e-01 -5.3270050000e+00  4.5239370000e+00 -1.0368750000e+00 -6.5363810000e+00  5.3390670000e+00 -6.3083600000e-01
+ENERGY -1.526540788712e+02
+FORCES -4.4534000000e-03  2.1630000000e-04 -1.7351000000e-03  2.0293000000e-03 -3.1843000000e-03  9.6440000000e-04  2.4256000000e-03  2.9695000000e-03  7.7090000000e-04  2.8007000000e-03  3.7890000000e-03  8.3870000000e-04 -3.8662000000e-03 -2.3840000000e-04  4.0900000000e-04  1.0641000000e-03 -3.5522000000e-03 -1.2479000000e-03
+
+JOB 89
+COORDS -7.1625140000e+00 -5.1558330000e+00  2.1228550000e+00 -6.3932530000e+00 -5.4243280000e+00  1.6204800000e+00 -6.8040870000e+00 -4.7195390000e+00  2.8957770000e+00  7.1386640000e+00  5.2105230000e+00 -2.1207060000e+00  7.4540970000e+00  4.3410930000e+00 -1.8740760000e+00  6.3575050000e+00  5.0418770000e+00 -2.6475650000e+00
+ENERGY -1.526540585496e+02
+FORCES  4.5892000000e-03  6.7900000000e-04  1.1141000000e-03 -3.1326000000e-03  1.1002000000e-03  2.0448000000e-03 -1.4557000000e-03 -1.7785000000e-03 -3.1600000000e-03 -1.8908000000e-03 -4.2246000000e-03 -1.1549000000e-03 -1.2938000000e-03  3.5427000000e-03 -1.0008000000e-03  3.1837000000e-03  6.8120000000e-04  2.1568000000e-03
+
+JOB 0
+COORDS  3.1443000000e-02 -4.7778100000e-01  1.0840550000e+00  9.8840300000e-01 -4.9914600000e-01  1.0822700000e+00 -2.2869200000e-01 -1.3888820000e+00  1.2199140000e+00 -1.1238000000e-01  5.4715100000e-01 -1.1457750000e+00 -3.6745600000e-01  1.6823400000e-01 -3.0459100000e-01  8.2725700000e-01  7.0884000000e-01 -1.0610970000e+00
+ENERGY -1.526492054329e+02
+FORCES  2.1603000000e-03  7.8529000000e-03 -2.3433000000e-02 -4.9702000000e-03  2.6240000000e-04 -1.2925000000e-03  2.0287000000e-03  5.3970000000e-03 -2.2379000000e-03  2.6771000000e-03 -1.3044200000e-02  3.0029600000e-02 -1.1571000000e-03  8.1510000000e-04 -4.1216000000e-03 -7.3880000000e-04 -1.2832000000e-03  1.0555000000e-03
+
+JOB 1
+COORDS -7.0182600000e-01  1.3622900000e-01  1.0294650000e+00 -2.7089400000e-01  2.3452300000e-01  1.8785040000e+00 -1.5755840000e+00 -1.9279100000e-01  1.2404750000e+00  7.0105600000e-01 -1.6781200000e-01 -1.1277550000e+00  4.3771200000e-01  1.5954300000e-01 -2.6768500000e-01  1.4620560000e+00  3.6267800000e-01 -1.3637470000e+00
+ENERGY -1.526565020222e+02
+FORCES  1.4609000000e-03 -4.3159000000e-03 -8.7791000000e-03 -1.2461000000e-03 -3.0260000000e-04 -5.4567000000e-03  4.2739000000e-03  2.0327000000e-03  1.9580000000e-03 -9.2673000000e-03  1.9038000000e-03  1.1878300000e-02  7.8706000000e-03  1.4346000000e-03 -3.4739000000e-03 -3.0919000000e-03 -7.5260000000e-04  3.8733000000e-03
+
+JOB 2
+COORDS  1.9914100000e-01  9.8885800000e-01  9.3781300000e-01 -1.3297200000e-01  5.9216000000e-01  1.7431480000e+00  1.8417000000e-01  2.7845400000e-01  2.9646000000e-01 -2.0275100000e-01 -9.3462400000e-01 -8.8434500000e-01 -5.3396900000e-01 -3.5366100000e-01 -1.5691870000e+00  5.7045800000e-01 -1.3453180000e+00 -1.2712690000e+00
+ENERGY -1.526601004825e+02
+FORCES -3.2901000000e-03 -1.4833100000e-02 -9.0521000000e-03  9.5850000000e-04  5.6820000000e-04 -2.3400000000e-03  1.9184000000e-03  9.1714000000e-03  4.0204000000e-03  9.0560000000e-04  4.3016000000e-03  1.7850000000e-04  3.5640000000e-03 -2.6801000000e-03  4.8881000000e-03 -4.0565000000e-03  3.4720000000e-03  2.3052000000e-03
+
+JOB 3
+COORDS  9.7358800000e-01 -7.1696600000e-01  4.7486500000e-01  1.6834180000e+00 -3.1210000000e-01 -2.3589000000e-02  1.1021710000e+00 -1.6578370000e+00  3.5461500000e-01 -1.0389830000e+00  7.7622800000e-01 -4.9765700000e-01 -2.6871200000e-01  2.5385500000e-01 -2.7395600000e-01 -1.5422490000e+00  8.2201600000e-01  3.1527400000e-01
+ENERGY -1.526588627304e+02
+FORCES -3.0362000000e-03 -7.6700000000e-05 -3.3371000000e-03 -7.1174000000e-03 -1.8383000000e-03  1.1438000000e-03  5.2310000000e-04  5.2454000000e-03  6.5120000000e-04  1.0244300000e-02 -1.0584900000e-02  9.6311000000e-03 -1.2937000000e-03  7.2980000000e-03 -5.8744000000e-03  6.7980000000e-04 -4.3500000000e-05 -2.2146000000e-03
+
+JOB 4
+COORDS -7.1425600000e-01 -1.1194350000e+00  3.6137400000e-01 -1.3307190000e+00 -1.1679340000e+00  1.0920270000e+00 -5.2096900000e-01 -1.8622400000e-01  2.7199900000e-01  7.4743300000e-01  1.0111060000e+00 -3.6601700000e-01  5.1916700000e-01  1.1728520000e+00 -1.2814210000e+00  7.9270200000e-01  1.8824540000e+00  2.7601000000e-02
+ENERGY -1.526583826825e+02
+FORCES  6.7593000000e-03  1.0425000000e-02 -1.6926000000e-03  2.9054000000e-03  2.4964000000e-03 -2.1822000000e-03 -8.1539000000e-03 -6.5051000000e-03  1.9439000000e-03 -1.5600000000e-04 -9.1220000000e-04 -2.1942000000e-03  2.2540000000e-04 -4.2160000000e-04  5.8777000000e-03 -1.5802000000e-03 -5.0825000000e-03 -1.7527000000e-03
+
+JOB 5
+COORDS  9.1473000000e-02 -1.1685750000e+00  6.0364200000e-01 -8.3648000000e-02 -1.9593940000e+00  9.3574000000e-02  1.0329360000e+00 -1.1965920000e+00  7.7421300000e-01 -8.0716000000e-02  1.2331820000e+00 -6.1295200000e-01 -2.7591100000e-01  3.9202500000e-01 -1.9993000000e-01 -8.8128800000e-01  1.7461780000e+00 -5.0272200000e-01
+ENERGY -1.526610928145e+02
+FORCES  4.3808000000e-03  2.6625000000e-03 -3.3344000000e-03  1.2977000000e-03  4.3220000000e-03  2.3224000000e-03 -5.1838000000e-03 -1.2942000000e-03 -1.1771000000e-03 -1.0457000000e-03 -1.1915100000e-02  6.9500000000e-03 -1.2095000000e-03  9.6290000000e-03 -5.2332000000e-03  1.7606000000e-03 -3.4041000000e-03  4.7240000000e-04
+
+JOB 6
+COORDS -1.7930000000e-03  1.3056760000e+00  3.5043000000e-02 -9.2162800000e-01  1.5620280000e+00  1.0151300000e-01  4.6540200000e-01  1.9471890000e+00  5.7022700000e-01 -4.4548000000e-02 -1.3808990000e+00 -7.3696000000e-02  7.4190900000e-01 -1.9065220000e+00  7.2721000000e-02  2.7959600000e-01 -4.8524500000e-01 -1.6839300000e-01
+ENERGY -1.526598439464e+02
+FORCES -3.5066000000e-03 -4.5825000000e-03  2.8391000000e-03  5.1091000000e-03  7.9670000000e-04  1.2700000000e-04 -2.8395000000e-03 -2.6132000000e-03 -2.1902000000e-03  2.1823000000e-03  1.2371100000e-02  7.1910000000e-04 -1.5252000000e-03  3.5640000000e-03 -5.3000000000e-06  5.7990000000e-04 -9.5361000000e-03 -1.4897000000e-03
+
+JOB 7
+COORDS  5.5124300000e-01  5.1406300000e-01 -1.0831100000e+00  9.1872700000e-01  1.2436000000e+00 -5.8414800000e-01  1.2540050000e+00  2.5190700000e-01 -1.6777800000e+00 -6.3955500000e-01 -6.0866500000e-01  1.1044550000e+00 -1.2575400000e-01 -2.9623300000e-01  3.5972200000e-01 -7.8860900000e-01  1.7217700000e-01  1.6376540000e+00
+ENERGY -1.526581751102e+02
+FORCES  1.9185000000e-03 -1.1679000000e-03  1.3988000000e-03 -3.0745000000e-03 -6.0215000000e-03 -3.1460000000e-04 -3.2911000000e-03  2.6106000000e-03  3.2271000000e-03  4.8933000000e-03  5.9911000000e-03 -1.1598500000e-02 -2.2385000000e-03 -7.9800000000e-05  9.9190000000e-03  1.7923000000e-03 -1.3325000000e-03 -2.6317000000e-03
+
+JOB 8
+COORDS -6.7783400000e-01  1.0249000000e-02  1.2078000000e+00 -2.4783300000e-01 -8.4430500000e-01  1.2404850000e+00 -1.3636350000e+00 -9.1268000000e-02  5.4779700000e-01  6.9572700000e-01  9.7810000000e-02 -1.2041170000e+00  3.9653500000e-01 -2.9154000000e-02 -3.0378600000e-01  9.3871400000e-01 -7.7876200000e-01 -1.5021280000e+00
+ENERGY -1.526541224347e+02
+FORCES -3.5032000000e-03 -3.0099000000e-03 -3.5140000000e-03  1.4955000000e-03  7.2476000000e-03 -6.3648000000e-03  7.0569000000e-03  2.1940000000e-04  2.4258000000e-03 -3.1366000000e-03  2.9710000000e-04  1.0681700000e-02  5.5140000000e-04 -7.3139000000e-03 -6.9103000000e-03 -2.4640000000e-03  2.5597000000e-03  3.6817000000e-03
+
+JOB 9
+COORDS  8.0834200000e-01 -4.2706700000e-01  1.0291320000e+00  6.8960000000e-02 -9.8785700000e-01  1.2637840000e+00  5.7468600000e-01  4.3483100000e-01  1.3737600000e+00 -7.7339700000e-01  4.7372900000e-01 -1.0666110000e+00  4.4931000000e-02  1.7835300000e-01 -6.6745600000e-01 -1.1819760000e+00 -3.2650500000e-01 -1.3966420000e+00
+ENERGY -1.526586403853e+02
+FORCES -8.7156000000e-03  2.6887000000e-03  2.0035000000e-03  3.6784000000e-03  2.1042000000e-03 -2.3629000000e-03  1.7100000000e-03 -4.3610000000e-03 -3.7980000000e-03  8.4607000000e-03 -7.4402000000e-03  6.1013000000e-03 -6.3625000000e-03  4.9084000000e-03 -4.3381000000e-03  1.2291000000e-03  2.0999000000e-03  2.3942000000e-03
+
+JOB 10
+COORDS -1.4042400000e-01 -4.8397400000e-01 -1.2080280000e+00  1.6522200000e-01 -1.1056400000e-01 -2.0346940000e+00 -8.1350000000e-02 -1.4307450000e+00 -1.3359670000e+00  7.6565000000e-02  4.9689900000e-01  1.3155900000e+00 -4.4143000000e-02  2.6046500000e-01  3.9593800000e-01  8.8890300000e-01  1.0030310000e+00  1.3286310000e+00
+ENERGY -1.526602804557e+02
+FORCES  1.7616000000e-03 -4.0670000000e-04  3.9086000000e-03 -8.3940000000e-04 -2.8821000000e-03  3.8683000000e-03  5.9100000000e-05  5.0181000000e-03 -1.3814000000e-03  8.9610000000e-04 -4.0116000000e-03 -1.3725100000e-02  2.8670000000e-04  3.6321000000e-03  8.3063000000e-03 -2.1641000000e-03 -1.3497000000e-03 -9.7670000000e-04
+
+JOB 11
+COORDS -2.7715100000e-01 -1.2678570000e+00  3.0221900000e-01 -4.0995200000e-01 -1.8704030000e+00 -4.2958300000e-01  4.0321600000e-01 -1.6816470000e+00  8.3336000000e-01  1.9098200000e-01  1.3626100000e+00 -3.0644100000e-01  2.4401900000e-01  5.9684100000e-01  2.6541300000e-01  1.0808340000e+00  1.4744230000e+00 -6.4094500000e-01
+ENERGY -1.526564595283e+02
+FORCES -1.2900000000e-04  3.0360000000e-04 -6.3954000000e-03  1.1986000000e-03  9.4570000000e-04  4.6365000000e-03 -2.1042000000e-03  5.0106000000e-03 -3.3478000000e-03 -2.7010000000e-04 -1.2434500000e-02  1.9810000000e-03  4.0958000000e-03  7.6771000000e-03  1.9432000000e-03 -2.7911000000e-03 -1.5025000000e-03  1.1824000000e-03
+
+JOB 12
+COORDS -1.8880000000e-03  9.1884100000e-01 -1.0622830000e+00  1.2888900000e-01  1.9382000000e-02 -7.6211100000e-01 -7.3714300000e-01  8.6362700000e-01 -1.6726790000e+00  2.0955000000e-02 -8.6389300000e-01  1.0128940000e+00  4.9234000000e-01 -1.5510340000e+00  1.4839190000e+00 -1.2274100000e-01 -1.7986800000e-01  1.6668770000e+00
+ENERGY -1.526601089134e+02
+FORCES -1.0043000000e-03 -8.6890000000e-03  5.1964000000e-03 -2.6350000000e-04  5.4647000000e-03 -6.9455000000e-03  2.1875000000e-03 -6.1860000000e-04  2.6894000000e-03  1.5120000000e-04  5.3462000000e-03  2.1273000000e-03 -2.0220000000e-03  3.7771000000e-03 -1.9283000000e-03  9.5110000000e-04 -5.2803000000e-03 -1.1394000000e-03
+
+JOB 13
+COORDS  9.1794600000e-01  4.9738500000e-01 -9.6800700000e-01  7.0560300000e-01  5.0560000000e-02 -1.7874520000e+00  9.3302000000e-02  5.1253200000e-01 -4.8224500000e-01 -9.0009200000e-01 -4.1882900000e-01  9.6081900000e-01 -4.6057900000e-01 -4.6164900000e-01  1.8100690000e+00 -6.6452800000e-01 -1.2389490000e+00  5.2706300000e-01
+ENERGY -1.526589083915e+02
+FORCES -8.8746000000e-03 -1.3937000000e-03  5.5361000000e-03 -1.3440000000e-04 -1.7200000000e-05  4.1473000000e-03  5.8243000000e-03  2.1230000000e-04 -7.6167000000e-03  7.2714000000e-03 -3.3118000000e-03  1.3177000000e-03 -2.5465000000e-03 -5.5340000000e-04 -3.7828000000e-03 -1.5403000000e-03  5.0638000000e-03  3.9830000000e-04
+
+JOB 14
+COORDS  6.3508000000e-02 -1.1566390000e+00 -7.5077800000e-01  3.8721000000e-02 -1.7444780000e+00  4.2470000000e-03 -8.5244500000e-01 -1.0637100000e+00 -1.0127450000e+00  6.4240000000e-03  1.2470500000e+00  7.0848600000e-01 -1.2873500000e-01  5.0406500000e-01  1.2032200000e-01 -1.8116300000e-01  8.9997100000e-01  1.5805970000e+00
+ENERGY -1.526568009837e+02
+FORCES -1.3613000000e-03 -3.2579000000e-03  2.3824000000e-03 -7.7440000000e-04  4.9045000000e-03 -3.1803000000e-03  5.9648000000e-03  3.4085000000e-03  4.5283000000e-03  1.7094000000e-03 -1.2207400000e-02 -5.0547000000e-03 -5.9543000000e-03  7.2406000000e-03  4.4598000000e-03  4.1580000000e-04 -8.8200000000e-05 -3.1356000000e-03
+
+JOB 15
+COORDS -1.2905600000e+00  3.6374500000e-01 -2.3919000000e-01 -1.0886000000e+00  1.2775290000e+00 -4.4029300000e-01 -1.9000750000e+00  9.5727000000e-02 -9.2686000000e-01  1.3368510000e+00 -4.6434000000e-01  2.8824200000e-01  1.8203730000e+00  3.6123100000e-01  3.1774700000e-01  4.2428500000e-01 -2.0366800000e-01  1.6372400000e-01
+ENERGY -1.526594837044e+02
+FORCES  8.0400000000e-05 -3.5730000000e-04 -4.1020000000e-03  1.1024000000e-03 -5.6296000000e-03  1.1888000000e-03  2.3330000000e-03  2.9609000000e-03  3.2929000000e-03 -1.0907500000e-02  3.9957000000e-03 -1.9119000000e-03 -2.8642000000e-03 -1.6416000000e-03 -6.3080000000e-04  1.0255900000e-02  6.7180000000e-04  2.1630000000e-03
+
+JOB 16
+COORDS  7.1959400000e-01 -2.4804800000e-01  1.2070370000e+00  3.3327900000e-01 -3.0397000000e-01  3.3304300000e-01  1.6638590000e+00 -2.2950500000e-01  1.0513090000e+00 -7.2272600000e-01  1.9919800000e-01 -1.1169410000e+00 -3.5517800000e-01  5.5384900000e-01 -1.9264860000e+00 -1.5118610000e+00  7.1886000000e-01 -9.6380600000e-01
+ENERGY -1.526603509031e+02
+FORCES -4.2698000000e-03  1.7634000000e-03 -1.1150300000e-02  5.6282000000e-03 -2.6548000000e-03  7.8293000000e-03 -3.0764000000e-03  2.6320000000e-04 -8.4490000000e-04 -1.4700000000e-05  3.9430000000e-03  2.8399000000e-03 -1.9308000000e-03 -1.1825000000e-03  3.9503000000e-03  3.6634000000e-03 -2.1324000000e-03 -2.6243000000e-03
+
+JOB 17
+COORDS -8.7900100000e-01  1.0789940000e+00 -2.9672300000e-01 -3.2235900000e-01  4.8354300000e-01 -7.9853900000e-01 -1.7380130000e+00  6.5674300000e-01 -2.9077800000e-01  8.5945900000e-01 -9.6708300000e-01  3.1386200000e-01  1.6623050000e+00 -1.0740820000e+00  8.2398100000e-01  6.9455500000e-01 -1.8332830000e+00 -5.8610000000e-02
+ENERGY -1.526537064255e+02
+FORCES  5.3415000000e-03 -1.0217600000e-02  2.4157000000e-03 -4.6815000000e-03  3.4685000000e-03 -3.2035000000e-03  2.8336000000e-03  1.1311000000e-03 -2.8470000000e-04  1.1479000000e-03  1.7890000000e-04  2.7430000000e-03 -4.0571000000e-03 -1.5450000000e-04 -2.2949000000e-03 -5.8440000000e-04  5.5935000000e-03  6.2440000000e-04
+
+JOB 18
+COORDS -6.2315600000e-01  5.4155000000e-01  1.0493020000e+00 -7.0160300000e-01 -8.1595000000e-02  1.7716380000e+00 -1.0631520000e+00  1.3310130000e+00  1.3645540000e+00  6.1675700000e-01 -5.8111000000e-01 -1.1635950000e+00  1.5594940000e+00 -6.3056600000e-01 -1.0053810000e+00  2.8084800000e-01 -4.3949000000e-02 -4.4606100000e-01
+ENERGY -1.526610393194e+02
+FORCES -6.4590000000e-04 -1.5037000000e-03 -3.5700000000e-04  1.6920000000e-04  4.2994000000e-03 -2.5385000000e-03  1.6922000000e-03 -4.4717000000e-03  9.5100000000e-05 -3.0773000000e-03  5.8435000000e-03  8.9957000000e-03 -3.0773000000e-03  2.2750000000e-04  5.4010000000e-04  4.9391000000e-03 -4.3950000000e-03 -6.7354000000e-03
+
+JOB 19
+COORDS  7.5591300000e-01  2.0767500000e-01  1.2228320000e+00  1.1259000000e-01  1.2139100000e-01  5.1932500000e-01  1.3322190000e+00  9.1587200000e-01  9.3549800000e-01 -7.2313600000e-01 -2.1494100000e-01 -1.1105790000e+00 -6.5963800000e-01  6.3977000000e-02 -2.0240360000e+00 -1.2641360000e+00 -1.0041280000e+00 -1.1376790000e+00
+ENERGY -1.526601060223e+02
+FORCES -4.5683000000e-03  7.2560000000e-04 -1.1841600000e-02  2.3825000000e-03 -6.7300000000e-05  8.2757000000e-03 -1.3433000000e-03 -1.7617000000e-03  7.5420000000e-04  2.0810000000e-03 -7.2190000000e-04 -2.3000000000e-04 -1.1659000000e-03 -2.3915000000e-03  3.5754000000e-03  2.6140000000e-03  4.2169000000e-03 -5.3370000000e-04
+
+JOB 20
+COORDS -2.8447900000e-01  1.3919760000e+00 -2.2481100000e-01 -2.6340800000e-01  4.3822700000e-01 -1.4639000000e-01 -1.2156080000e+00  1.6081490000e+00 -2.7480500000e-01  3.3689100000e-01 -1.2875540000e+00  1.8293500000e-01  1.1335130000e+00 -1.7166880000e+00  4.9513600000e-01 -3.7623300000e-01 -1.8229190000e+00  5.3088800000e-01
+ENERGY -1.526596154546e+02
+FORCES  1.7189000000e-03 -1.0384400000e-02  1.1893000000e-03 -5.7932000000e-03  8.2605000000e-03 -1.4807000000e-03  2.7139000000e-03 -2.6265000000e-03  6.6580000000e-04  2.9605000000e-03  1.2800000000e-03  2.3876000000e-03 -4.7429000000e-03 -1.8410000000e-04 -9.9880000000e-04  3.1428000000e-03  3.6545000000e-03 -1.7631000000e-03
+
+JOB 21
+COORDS -6.7899000000e-01 -1.1543660000e+00 -5.5014000000e-01 -1.2649420000e+00 -1.5375300000e+00  1.0260600000e-01 -1.4737600000e-01 -5.2894900000e-01 -5.7725000000e-02  7.4685600000e-01  1.1204700000e+00  4.6196800000e-01  1.3248200000e-01  6.5410600000e-01  1.0287850000e+00  2.7753000000e-01  1.9123660000e+00  1.9954600000e-01
+ENERGY -1.526508103718e+02
+FORCES  4.8908000000e-03  4.8962000000e-03  1.9677000000e-03  3.3096000000e-03  4.0253000000e-03 -1.2094000000e-03 -6.5073000000e-03 -1.4731000000e-03  8.6102000000e-03 -6.2904000000e-03  3.4274000000e-03 -9.9130000000e-04  1.6473000000e-03 -7.1423000000e-03 -1.0646600000e-02  2.9502000000e-03 -3.7335000000e-03  2.2694000000e-03
+
+JOB 22
+COORDS -7.6349000000e-01  1.0034200000e+00 -6.4792500000e-01 -1.5571800000e+00  9.5718600000e-01 -1.1486600000e-01 -8.0091900000e-01  2.2392700000e-01 -1.2022010000e+00  8.8759800000e-01 -9.4469500000e-01  6.3869700000e-01  3.7332900000e-01 -1.6940660000e+00  9.3903500000e-01  2.3780500000e-01 -2.6720000000e-01  4.5161100000e-01
+ENERGY -1.526574348761e+02
+FORCES -3.2627000000e-03 -1.7926000000e-03 -3.9433000000e-03  6.3972000000e-03 -2.1894000000e-03 -1.1160000000e-03  8.1920000000e-04  3.0725000000e-03  6.7100000000e-03 -5.8907000000e-03  7.1927000000e-03 -1.5947000000e-03  2.5010000000e-04  3.8118000000e-03 -2.3373000000e-03  1.6868000000e-03 -1.0094900000e-02  2.2813000000e-03
+
+JOB 23
+COORDS -3.9117500000e-01  3.8893800000e-01  1.3705060000e+00  2.5215600000e-01  4.2059300000e-01  6.6244200000e-01 -9.4385500000e-01 -3.6346000000e-01  1.1591440000e+00  3.9301400000e-01 -3.4913800000e-01 -1.2435740000e+00  1.0203590000e+00 -4.7058000000e-02 -1.9003980000e+00 -3.7023000000e-01 -6.2640400000e-01 -1.7503430000e+00
+ENERGY -1.526583957129e+02
+FORCES  2.6615000000e-03 -5.5731000000e-03 -1.1779100000e-02  3.3810000000e-04  3.2938000000e-03  6.5366000000e-03 -4.8370000000e-04  1.9690000000e-03  1.6477000000e-03 -3.1357000000e-03  6.2910000000e-04 -1.8753000000e-03 -3.3100000000e-03 -9.8950000000e-04  3.3689000000e-03  3.9298000000e-03  6.7070000000e-04  2.1012000000e-03
+
+JOB 24
+COORDS  3.8254600000e-01 -1.3915410000e+00 -5.8538000000e-02  3.6540700000e-01 -1.9227020000e+00  7.3758200000e-01 -8.0114000000e-02 -5.8797800000e-01  1.7908400000e-01 -3.7629500000e-01  1.3384720000e+00  5.4669000000e-02  3.1846200000e-01  1.1486060000e+00 -5.7580300000e-01 -7.3865700000e-01  2.1765420000e+00 -2.3266900000e-01
+ENERGY -1.526598471552e+02
+FORCES -4.4032000000e-03  4.2724000000e-03  4.8760000000e-03 -4.7690000000e-04  1.9825000000e-03 -2.4397000000e-03  7.0801000000e-03 -3.9125000000e-03 -4.1513000000e-03  4.5460000000e-04  2.0584000000e-03 -3.5198000000e-03 -5.7856000000e-03 -1.4098000000e-03  4.7645000000e-03  3.1310000000e-03 -2.9911000000e-03  4.7030000000e-04
+
+JOB 25
+COORDS -6.3333100000e-01 -8.0754100000e-01  9.3713900000e-01 -7.7353400000e-01 -1.5560960000e+00  3.5727600000e-01 -3.5746500000e-01 -1.1955890000e+00  1.7675300000e+00  6.5877100000e-01  9.3689400000e-01 -9.6583800000e-01  6.2009800000e-01  4.5307200000e-01 -1.4082100000e-01  1.1721500000e-01  4.2726800000e-01 -1.5685250000e+00
+ENERGY -1.526582562304e+02
+FORCES -1.0650000000e-03 -4.2325000000e-03  3.5530000000e-04  1.4541000000e-03  4.4622000000e-03  2.0918000000e-03 -7.7350000000e-04  2.0678000000e-03 -4.6544000000e-03 -6.9343000000e-03 -7.2528000000e-03  6.5918000000e-03  5.4270000000e-03  3.9784000000e-03 -5.0272000000e-03  1.8915000000e-03  9.7700000000e-04  6.4270000000e-04
+
+JOB 26
+COORDS -7.2623100000e-01  1.1449260000e+00  6.4765900000e-01 -6.2356300000e-01  7.5625700000e-01 -2.2103500000e-01 -1.1627000000e-02  7.7158200000e-01  1.1635930000e+00  6.3468400000e-01 -1.0518410000e+00 -6.4566200000e-01  1.4963080000e+00 -1.2134000000e+00 -1.0300260000e+00  5.3154500000e-01 -1.7410850000e+00  1.0491000000e-02
+ENERGY -1.526585904503e+02
+FORCES  7.4337000000e-03 -8.0457000000e-03 -5.2109000000e-03 -3.9556000000e-03  4.7258000000e-03  2.0737000000e-03 -2.5595000000e-03  1.6940000000e-03  1.7906000000e-03  1.4676000000e-03 -2.8993000000e-03  1.3581000000e-03 -3.9025000000e-03  6.7930000000e-04  2.5632000000e-03  1.5162000000e-03  3.8460000000e-03 -2.5747000000e-03
+
+JOB 27
+COORDS  6.5325500000e-01  1.1831190000e+00  5.5497900000e-01  1.4198090000e+00  6.9775100000e-01  2.4994800000e-01  4.1143000000e-01  1.7396960000e+00 -1.8527400000e-01 -6.7772900000e-01 -1.2421900000e+00 -4.5981000000e-01 -4.8266000000e-02 -5.2194700000e-01 -4.9528400000e-01 -1.3986740000e+00 -9.5874800000e-01 -1.0220640000e+00
+ENERGY -1.526529508042e+02
+FORCES  2.4586000000e-03  2.0363000000e-03 -1.1002000000e-03 -7.8860000000e-03 -3.5810000000e-04 -8.5880000000e-04  9.5700000000e-05 -5.5207000000e-03  2.7646000000e-03  3.4090000000e-04  9.3045000000e-03  2.4040000000e-03  2.0693000000e-03 -4.9014000000e-03 -5.0743000000e-03  2.9215000000e-03 -5.6060000000e-04  1.8647000000e-03
+
+JOB 28
+COORDS -8.3761600000e-01  7.1684500000e-01 -9.4212500000e-01 -1.1029990000e+00  7.5288000000e-02 -2.8318000000e-01 -1.3755560000e+00  5.1193500000e-01 -1.7068890000e+00  9.4388400000e-01 -6.8698800000e-01  9.5845200000e-01  5.1093900000e-01 -6.3790800000e-01  1.0617200000e-01  2.9289200000e-01 -3.5685500000e-01  1.5776890000e+00
+ENERGY -1.526518713056e+02
+FORCES -4.5319000000e-03 -1.4251000000e-03 -5.8710000000e-04  7.9915000000e-03  8.9300000000e-05 -1.6479000000e-03  3.0880000000e-03  6.9160000000e-04  4.1645000000e-03 -2.8042000000e-03  5.8177000000e-03 -3.7791000000e-03 -4.5346000000e-03 -2.9564000000e-03  5.7686000000e-03  7.9120000000e-04 -2.2170000000e-03 -3.9190000000e-03
+
+JOB 29
+COORDS -5.6907900000e-01 -5.7237500000e-01 -1.1594330000e+00  5.4149000000e-02 -1.1232210000e+00 -1.6331280000e+00 -8.4567700000e-01  8.2722000000e-02 -1.8001930000e+00  6.0945000000e-01  5.5831100000e-01  1.2574340000e+00 -5.8688000000e-02  1.2177960000e+00  1.4442620000e+00  2.2842300000e-01  2.0628000000e-02  5.6321000000e-01
+ENERGY -1.526609825050e+02
+FORCES  1.7560000000e-03  2.0633000000e-03 -4.4698000000e-03 -2.9828000000e-03  3.2284000000e-03  2.4846000000e-03  1.1983000000e-03 -3.6065000000e-03  2.5470000000e-03 -7.2043000000e-03 -2.6111000000e-03 -8.0304000000e-03  2.0935000000e-03 -1.4178000000e-03 -6.9630000000e-04  5.1394000000e-03  2.3438000000e-03  8.1649000000e-03
+
+JOB 30
+COORDS  2.4239400000e-01  2.5065500000e-01 -1.4868190000e+00 -2.6279400000e-01  5.5999800000e-01 -7.3493900000e-01  7.9148400000e-01 -4.5008100000e-01 -1.1351060000e+00 -2.2642700000e-01 -1.7058400000e-01  1.4625330000e+00  3.3982700000e-01 -8.7378100000e-01  1.1445660000e+00 -1.0912500000e+00 -3.8109000000e-01  1.1103970000e+00
+ENERGY -1.526537270522e+02
+FORCES  1.4838000000e-03  2.3170000000e-04  9.6365000000e-03 -1.9921000000e-03 -2.3759000000e-03 -5.5043000000e-03 -2.1343000000e-03  3.2170000000e-04 -5.1730000000e-04 -8.2400000000e-04 -5.7221000000e-03 -1.5850000000e-03 -1.8793000000e-03  4.1671000000e-03 -1.1770000000e-03  5.3458000000e-03  3.3774000000e-03 -8.5300000000e-04
+
+JOB 31
+COORDS  2.7926800000e-01 -1.2047560000e+00  8.8765300000e-01  5.6461800000e-01 -1.8586600000e+00  2.4951800000e-01 -2.7852000000e-02 -4.6966300000e-01  3.5704200000e-01 -3.2449900000e-01  1.1540810000e+00 -7.8528600000e-01 -8.2800000000e-04  1.0831550000e+00 -1.6833060000e+00  1.1789100000e-01  1.9254260000e+00 -4.3095600000e-01
+ENERGY -1.526612322003e+02
+FORCES -2.1048000000e-03  5.9822000000e-03 -7.6794000000e-03 -7.2370000000e-04  2.2414000000e-03  1.5043000000e-03  2.5409000000e-03 -8.2478000000e-03  6.1512000000e-03  3.4837000000e-03  3.7024000000e-03 -2.0918000000e-03 -1.1319000000e-03  1.9170000000e-04  4.5884000000e-03 -2.0642000000e-03 -3.8699000000e-03 -2.4727000000e-03
+
+JOB 32
+COORDS -2.0901200000e-01 -5.4644500000e-01 -1.3070940000e+00 -8.8114500000e-01 -1.3736100000e-01 -1.8521810000e+00  6.0053000000e-01 -4.4485200000e-01 -1.8076450000e+00  2.0472500000e-01  4.5968100000e-01  1.4160590000e+00  1.1445900000e-01  1.3859190000e+00  1.6400400000e+00  2.5112000000e-01  4.4737000000e-01  4.6006300000e-01
+ENERGY -1.526588902012e+02
+FORCES -1.7385000000e-03 -1.0456000000e-03 -5.3781000000e-03  3.9962000000e-03 -1.4473000000e-03  2.7082000000e-03 -4.1246000000e-03  1.1883000000e-03  4.1073000000e-03 -1.7244000000e-03 -6.4930000000e-04 -7.7277000000e-03 -4.6500000000e-05 -3.2295000000e-03 -2.0605000000e-03  3.6378000000e-03  5.1834000000e-03  8.3507000000e-03
+
+JOB 33
+COORDS  5.7526400000e-01 -1.1112830000e+00  7.0576500000e-01  1.0335570000e+00 -1.5803260000e+00  1.4030430000e+00  1.4426000000e-01 -1.7983490000e+00  1.9742700000e-01 -5.8066900000e-01  1.2395490000e+00 -7.1955000000e-01 -4.4634000000e-02  7.2636900000e-01 -1.1494700000e-01 -1.0342870000e+00  5.8609800000e-01 -1.2519640000e+00
+ENERGY -1.526593765422e+02
+FORCES  3.9620000000e-04 -4.2891000000e-03  1.4022000000e-03 -2.4242000000e-03  9.6140000000e-04 -3.5779000000e-03  1.7546000000e-03  3.5906000000e-03  2.1006000000e-03  2.7729000000e-03 -7.9146000000e-03  3.5395000000e-03 -3.6045000000e-03  6.0382000000e-03 -4.7281000000e-03  1.1050000000e-03  1.6135000000e-03  1.2637000000e-03
+
+JOB 34
+COORDS  7.6916000000e-02  2.6170200000e-01  1.4357550000e+00 -8.3390900000e-01  1.9675600000e-01  1.7228300000e+00  5.2030000000e-01 -4.6183400000e-01  1.8786310000e+00 -8.8375000000e-02 -1.7188900000e-01 -1.5253130000e+00  1.6225800000e-01 -1.0826210000e+00 -1.6801760000e+00  3.1155800000e-01  4.7301000000e-02 -6.8374200000e-01
+ENERGY -1.526597632184e+02
+FORCES -4.7914000000e-03 -2.5887000000e-03  3.3986000000e-03  4.8545000000e-03 -9.4100000000e-05  4.9200000000e-05 -2.1017000000e-03  2.8365000000e-03 -3.3488000000e-03  2.3666000000e-03 -7.8310000000e-04  8.2494000000e-03 -8.4130000000e-04  2.8115000000e-03  1.0806000000e-03  5.1340000000e-04 -2.1821000000e-03 -9.4290000000e-03
+
+JOB 35
+COORDS -1.2524220000e+00 -8.8067000000e-01 -1.6436600000e-01 -1.0617330000e+00 -1.6126290000e+00  4.2224000000e-01 -8.0849200000e-01 -1.3198700000e-01  2.3392000000e-01  1.1573770000e+00  8.5346800000e-01  1.1559700000e-01  1.5880750000e+00  1.4353490000e+00  7.4181200000e-01  1.7914140000e+00  7.5359600000e-01 -5.9451200000e-01
+ENERGY -1.526593381285e+02
+FORCES  7.1572000000e-03  3.1382000000e-03  3.7130000000e-03 -8.6850000000e-04  2.0805000000e-03 -1.9404000000e-03 -7.1939000000e-03 -4.2083000000e-03  8.2800000000e-05  4.4473000000e-03  5.0640000000e-04 -3.2077000000e-03 -2.0844000000e-03 -3.0517000000e-03 -2.7415000000e-03 -1.4579000000e-03  1.5349000000e-03  4.0939000000e-03
+
+JOB 36
+COORDS -8.6995500000e-01 -9.8305100000e-01 -8.1383600000e-01 -3.6601100000e-01 -2.6905400000e-01 -4.2334800000e-01 -3.0932800000e-01 -1.3176560000e+00 -1.5138140000e+00  8.0725900000e-01  9.0415200000e-01  8.0375400000e-01  9.5353000000e-02  1.4686960000e+00  1.1049410000e+00  1.6046480000e+00  1.3880490000e+00  1.0188020000e+00
+ENERGY -1.526599187011e+02
+FORCES  8.0281000000e-03  3.4615000000e-03  1.6391000000e-03 -7.7388000000e-03 -3.0080000000e-03 -3.3591000000e-03 -1.9439000000e-03  7.7480000000e-04  1.9132000000e-03  2.3321000000e-03  3.5955000000e-03  2.6965000000e-03  3.3712000000e-03 -3.4321000000e-03 -2.9210000000e-03 -4.0488000000e-03 -1.3917000000e-03  3.1300000000e-05
+
+JOB 37
+COORDS -6.1434400000e-01 -1.0427070000e+00 -9.4177700000e-01 -1.5629800000e-01 -3.4238800000e-01 -1.4065120000e+00 -1.4703470000e+00 -6.7033900000e-01 -7.3003800000e-01  6.4987200000e-01  9.7809100000e-01  8.8600400000e-01  8.6769500000e-01  1.6823480000e+00  1.4965830000e+00  2.5948700000e-01  2.9739900000e-01  1.4341740000e+00
+ENERGY -1.526569890328e+02
+FORCES  6.8250000000e-04  7.8041000000e-03 -6.9640000000e-04 -2.9349000000e-03 -4.4753000000e-03 -6.9240000000e-04  2.8584000000e-03 -2.2693000000e-03  1.0880000000e-04 -5.5680000000e-04 -2.8508000000e-03  4.4155000000e-03 -1.4418000000e-03 -3.3415000000e-03 -2.7746000000e-03  1.3926000000e-03  5.1327000000e-03 -3.6090000000e-04
+
+JOB 38
+COORDS -3.3216400000e-01  3.9709300000e-01  1.4164800000e+00  2.2618000000e-02  1.2847820000e+00  1.3678120000e+00  4.0304500000e-01 -1.3926200000e-01  1.7131660000e+00  2.5432900000e-01 -4.6265400000e-01 -1.4813820000e+00  6.5851800000e-01  4.0140700000e-01 -1.5605000000e+00  5.1135000000e-02 -5.4817000000e-01 -5.4991400000e-01
+ENERGY -1.526574849386e+02
+FORCES  3.3783000000e-03  3.9480000000e-03  3.6222000000e-03 -1.1333000000e-03 -4.7047000000e-03 -5.2660000000e-04 -3.8864000000e-03  2.0257000000e-03 -4.8164000000e-03 -2.3699000000e-03  5.3144000000e-03  7.6740000000e-03 -5.2560000000e-04 -2.6171000000e-03 -1.3210000000e-04  4.5368000000e-03 -3.9663000000e-03 -5.8212000000e-03
+
+JOB 39
+COORDS -8.8745200000e-01  9.9592000000e-01 -7.8720000000e-01 -2.2844700000e-01  3.7549100000e-01 -4.7573300000e-01 -3.8868400000e-01  1.6506020000e+00 -1.2759280000e+00  8.5057100000e-01 -9.7145000000e-01  7.5091400000e-01  3.6336000000e-01 -5.1852300000e-01  1.4391830000e+00  6.7396700000e-01 -1.8998300000e+00  9.0307700000e-01
+ENERGY -1.526610222038e+02
+FORCES  6.6229000000e-03 -3.4506000000e-03 -3.6720000000e-04 -6.3141000000e-03  7.7059000000e-03 -8.6520000000e-04 -1.4465000000e-03 -2.3868000000e-03  1.8845000000e-03 -1.8195000000e-03 -4.4910000000e-03  4.8332000000e-03  1.9854000000e-03 -1.7814000000e-03 -5.7988000000e-03  9.7170000000e-04  4.4038000000e-03  3.1360000000e-04
+
+JOB 40
+COORDS -1.3798890000e+00  2.9545800000e-01 -5.9782300000e-01 -1.6159850000e+00  1.1186820000e+00 -1.0253660000e+00 -5.8104000000e-01  4.9831300000e-01 -1.1107600000e-01  1.3555630000e+00 -3.9153000000e-01  5.3664200000e-01  1.3517900000e+00  5.6041300000e-01  6.3675100000e-01  1.2373510000e+00 -7.2677400000e-01  1.4253880000e+00
+ENERGY -1.526538385486e+02
+FORCES  5.2893000000e-03  3.2160000000e-04  6.0330000000e-04  2.2378000000e-03 -3.1034000000e-03  2.1983000000e-03 -4.5811000000e-03  5.4406000000e-03 -4.9810000000e-04  2.0754000000e-03 -2.7520000000e-04  4.7963000000e-03 -5.4854000000e-03 -4.5840000000e-03 -2.4981000000e-03  4.6400000000e-04  2.2003000000e-03 -4.6017000000e-03
+
+JOB 41
+COORDS -3.7541400000e-01 -1.3160450000e+00  7.1717600000e-01 -4.1471500000e-01 -6.0136000000e-01  8.1635000000e-02 -1.2185580000e+00 -1.2820080000e+00  1.1690390000e+00  4.2228400000e-01  1.2247470000e+00 -6.6634200000e-01  1.2880400000e-01  2.1216080000e+00 -5.0589800000e-01  7.5574500000e-01  1.2382270000e+00 -1.5634780000e+00
+ENERGY -1.526596332560e+02
+FORCES -7.4240000000e-04  7.2353000000e-03 -2.6500000000e-03 -3.1182000000e-03 -8.5740000000e-03  3.1089000000e-03  2.7918000000e-03  4.7250000000e-04 -1.5307000000e-03  1.7220000000e-03  4.7451000000e-03 -1.8714000000e-03  1.4337000000e-03 -3.9942000000e-03 -1.3743000000e-03 -2.0869000000e-03  1.1530000000e-04  4.3176000000e-03
+
+JOB 42
+COORDS -4.4352600000e-01  4.1484700000e-01 -1.3680560000e+00 -1.1825270000e+00  8.6105900000e-01 -9.5452900000e-01 -7.7684500000e-01  1.3942200000e-01 -2.2220300000e+00  4.9872000000e-01 -4.4098800000e-01  1.4591470000e+00  1.2524390000e+00 -5.5720000000e-02  1.0122590000e+00 -1.6255000000e-01 -5.3833400000e-01  7.7396300000e-01
+ENERGY -1.526587130463e+02
+FORCES -3.9815000000e-03  2.0159000000e-03 -4.0501000000e-03  3.7887000000e-03 -4.0761000000e-03 -9.1960000000e-04  1.1979000000e-03  1.6303000000e-03  4.0916000000e-03  9.0410000000e-04  1.4297000000e-03 -9.3329000000e-03 -1.2755000000e-03 -1.2321000000e-03  3.7568000000e-03 -6.3380000000e-04  2.3220000000e-04  6.4542000000e-03
+
+JOB 43
+COORDS  2.4907800000e-01 -1.4733620000e+00  1.5217700000e-01  1.6005400000e-01 -2.0682850000e+00  8.9674000000e-01  1.1495530000e+00 -1.5974150000e+00 -1.4780300000e-01 -2.7924100000e-01  1.5803530000e+00 -1.6881600000e-01 -8.0043200000e-01  1.2154240000e+00 -8.8395100000e-01 -7.3944000000e-02  8.2826700000e-01  3.8656800000e-01
+ENERGY -1.526600002718e+02
+FORCES  3.7396000000e-03 -4.9284000000e-03  4.8680000000e-04  7.7500000000e-04  3.2273000000e-03 -3.3264000000e-03 -4.4220000000e-03  4.5580000000e-04  1.9586000000e-03 -1.2550000000e-03 -9.4049000000e-03 -4.8830000000e-04  1.3437000000e-03  3.0306000000e-03  1.3815000000e-03 -1.8120000000e-04  7.6196000000e-03 -1.2200000000e-05
+
+JOB 44
+COORDS -4.2954900000e-01  1.4400240000e+00  1.6762400000e-01 -9.9533800000e-01  2.2109050000e+00  2.1071200000e-01  4.2386000000e-01  1.7515440000e+00  4.6908900000e-01  4.5661700000e-01 -1.5536090000e+00 -2.1839900000e-01 -1.9610600000e-01 -9.9311600000e-01 -6.3796000000e-01  4.1083400000e-01 -1.3223270000e+00  7.0931000000e-01
+ENERGY -1.526585927241e+02
+FORCES  1.9772000000e-03  5.4076000000e-03  1.0939000000e-03  2.8161000000e-03 -3.3222000000e-03 -1.6070000000e-04 -4.4135000000e-03 -1.0974000000e-03 -5.0250000000e-04 -4.8543000000e-03  6.7525000000e-03  2.2920000000e-03  2.5954000000e-03 -5.6044000000e-03 -3.0790000000e-04  1.8791000000e-03 -2.1361000000e-03 -2.4148000000e-03
+
+JOB 45
+COORDS  1.1920590000e+00 -7.5607900000e-01  5.5612000000e-01  2.0330470000e+00 -9.5046000000e-01  9.6986800000e-01  7.7643600000e-01 -1.6110240000e+00  4.4405400000e-01 -1.2342600000e+00  8.7626600000e-01 -5.5539100000e-01 -3.6055500000e-01  4.8856400000e-01 -5.0481200000e-01 -1.7824900000e+00  1.8490000000e-01 -9.2645500000e-01
+ENERGY -1.526583886638e+02
+FORCES  3.3380000000e-03 -3.8449000000e-03  3.3096000000e-03 -3.9713000000e-03 -3.2140000000e-04 -1.4814000000e-03  1.4954000000e-03  4.4542000000e-03 -6.4830000000e-04  4.5629000000e-03 -4.3115000000e-03  6.5780000000e-04 -7.6071000000e-03  2.2197000000e-03 -3.4750000000e-03  2.1820000000e-03  1.8040000000e-03  1.6373000000e-03
+
+JOB 46
+COORDS -1.6107540000e+00 -5.2164000000e-02  3.0594000000e-01 -9.2414000000e-01 -5.1058300000e-01  7.9034200000e-01 -1.3843290000e+00  8.7428500000e-01  3.8752400000e-01  1.5224080000e+00 -3.4406000000e-02 -3.1881100000e-01  1.0989060000e+00  7.9282400000e-01 -5.4809100000e-01  2.4561930000e+00  1.2932000000e-01 -4.5098600000e-01
+ENERGY -1.526556172715e+02
+FORCES  5.4768000000e-03 -1.9600000000e-05  2.7757000000e-03 -5.3960000000e-03  2.4182000000e-03 -9.4130000000e-04  1.1500000000e-05 -2.9093000000e-03 -1.6803000000e-03  2.4416000000e-03  3.6143000000e-03 -3.3395000000e-03  1.8381000000e-03 -2.6396000000e-03  2.8456000000e-03 -4.3721000000e-03 -4.6410000000e-04  3.3980000000e-04
+
+JOB 47
+COORDS -4.8036800000e-01  1.0461700000e-01  1.5598660000e+00 -1.3630600000e-01 -1.3839800000e-01  7.0033400000e-01  7.6704000000e-02 -3.6283300000e-01  2.1822750000e+00  4.1619100000e-01 -4.0057000000e-02 -1.4883080000e+00 -1.5078400000e-01 -4.7012500000e-01 -2.1284740000e+00  1.2920030000e+00 -9.0533000000e-02 -1.8712410000e+00
+ENERGY -1.526602895769e+02
+FORCES  4.0664000000e-03 -1.9816000000e-03 -4.6796000000e-03 -2.9862000000e-03 -3.0290000000e-04  9.3209000000e-03 -1.6204000000e-03  1.5503000000e-03 -2.3658000000e-03  1.4848000000e-03 -8.4020000000e-04 -6.3224000000e-03  3.2187000000e-03  1.7783000000e-03  2.7364000000e-03 -4.1633000000e-03 -2.0390000000e-04  1.3104000000e-03
+
+JOB 48
+COORDS  3.5614000000e-02  4.6930000000e-01  1.5302990000e+00  6.0405000000e-01 -2.7826000000e-01  1.7154120000e+00 -7.7919800000e-01  2.7133000000e-01  1.9919500000e+00 -6.7216000000e-02 -4.0613600000e-01 -1.6159160000e+00  7.9223300000e-01  1.5243000000e-02 -1.6115070000e+00 -8.7173000000e-02 -9.1903900000e-01 -8.0797800000e-01
+ENERGY -1.526540360443e+02
+FORCES -2.0995000000e-03 -1.7925000000e-03  3.8996000000e-03 -2.8191000000e-03  2.5920000000e-03 -3.3050000000e-03  3.9508000000e-03  3.2870000000e-04 -2.1696000000e-03  2.9714000000e-03  2.8371000000e-03  6.9622000000e-03 -2.5023000000e-03 -2.5413000000e-03 -1.3507000000e-03  4.9880000000e-04 -1.4240000000e-03 -4.0364000000e-03
+
+JOB 49
+COORDS  1.3307430000e+00 -9.0492700000e-01  4.8227800000e-01  1.0175120000e+00 -3.8517700000e-01  1.2225330000e+00  5.5386300000e-01 -1.0435240000e+00 -5.9459000000e-02 -1.2337210000e+00  8.3386700000e-01 -5.0175400000e-01 -1.6171660000e+00  1.3681970000e+00 -1.1972340000e+00 -1.5769870000e+00  1.2116010000e+00  3.0800900000e-01
+ENERGY -1.526570269536e+02
+FORCES -6.9061000000e-03  4.1463000000e-03 -1.3403000000e-03  1.6893000000e-03 -2.1155000000e-03 -1.0270000000e-03  4.8945000000e-03 -2.8779000000e-03  2.7965000000e-03 -3.0626000000e-03  5.0316000000e-03 -6.7350000000e-04  1.3224000000e-03 -2.1108000000e-03  3.3464000000e-03  2.0624000000e-03 -2.0738000000e-03 -3.1021000000e-03
+
+JOB 50
+COORDS -1.7987300000e-01  1.0976720000e+00  1.1384410000e+00 -4.7728200000e-01  1.8469910000e+00  6.2239800000e-01  4.8316800000e-01  1.4592780000e+00  1.7265310000e+00  1.3085000000e-01 -1.2048370000e+00 -1.1851220000e+00 -3.1074500000e-01 -7.6025600000e-01 -4.6153800000e-01  1.0301950000e+00 -8.7856600000e-01 -1.1541970000e+00
+ENERGY -1.526592250029e+02
+FORCES  1.6917000000e-03  5.7677000000e-03  2.0943000000e-03  1.6811000000e-03 -3.8438000000e-03  2.2084000000e-03 -2.9039000000e-03 -9.7890000000e-04 -2.9493000000e-03  1.9265000000e-03  4.9749000000e-03  6.1976000000e-03 -8.6200000000e-05 -4.1914000000e-03 -6.1179000000e-03 -2.3093000000e-03 -1.7285000000e-03 -1.4330000000e-03
+
+JOB 51
+COORDS  1.2615000000e+00  7.4725800000e-01 -7.0053800000e-01  1.9836520000e+00  4.4368400000e-01 -1.5047300000e-01  1.0061210000e+00  1.5872890000e+00 -3.1927800000e-01 -1.2969680000e+00 -8.3720900000e-01  6.7576200000e-01 -5.1334100000e-01 -4.3411900000e-01  3.0202600000e-01 -2.0021300000e+00 -2.2156100000e-01  4.7587000000e-01
+ENERGY -1.526592994646e+02
+FORCES  6.0108000000e-03  4.3704000000e-03  1.6459000000e-03 -4.5255000000e-03  1.3148000000e-03 -2.2771000000e-03 -1.0580000000e-04 -5.1472000000e-03 -1.2968000000e-03  2.5843000000e-03  4.4198000000e-03 -4.9677000000e-03 -6.4523000000e-03 -3.1803000000e-03  5.7727000000e-03  2.4885000000e-03 -1.7775000000e-03  1.1229000000e-03
+
+JOB 52
+COORDS -9.7895400000e-01  9.8107000000e-01 -8.3087700000e-01 -1.6721130000e+00  1.5955150000e+00 -5.8959000000e-01 -1.7697100000e-01  1.5031360000e+00 -8.0847800000e-01  1.0239220000e+00 -1.0375960000e+00  8.6221800000e-01  9.5551800000e-01 -1.6231830000e+00  1.0813600000e-01  2.2845600000e-01 -5.0638100000e-01  8.2648800000e-01
+ENERGY -1.526591872187e+02
+FORCES -2.6050000000e-04  6.4131000000e-03 -1.4979000000e-03  3.4675000000e-03 -2.7232000000e-03 -7.5310000000e-04 -4.3599000000e-03 -2.8483000000e-03  7.3200000000e-04 -6.0283000000e-03  1.0920000000e-04 -4.6163000000e-03  1.3680000000e-03  1.5684000000e-03  2.9999000000e-03  5.8132000000e-03 -2.5192000000e-03  3.1354000000e-03
+
+JOB 53
+COORDS -7.9803300000e-01  1.1335810000e+00 -9.9336300000e-01 -1.5537620000e+00  6.5873900000e-01 -1.3392420000e+00 -1.3469500000e-01  4.5825000000e-01 -8.5144100000e-01  7.6086900000e-01 -1.1101050000e+00  9.8021100000e-01  1.7089740000e+00 -1.0657250000e+00  8.5627400000e-01  5.6085600000e-01 -3.7939800000e-01  1.5652700000e+00
+ENERGY -1.526588151091e+02
+FORCES  8.5200000000e-05 -6.9195000000e-03 -1.4790000000e-04  2.5328000000e-03  2.2000000000e-03  1.0404000000e-03 -2.7179000000e-03  6.2047000000e-03 -2.5348000000e-03  3.2732000000e-03  1.7063000000e-03  5.4965000000e-03 -4.7185000000e-03  4.8150000000e-04 -3.8330000000e-04  1.5452000000e-03 -3.6731000000e-03 -3.4709000000e-03
+
+JOB 54
+COORDS  6.1700000000e-03 -7.7974100000e-01 -1.4585170000e+00 -6.6017300000e-01 -1.1072830000e+00 -8.5441900000e-01  2.0502000000e-01 -1.5259740000e+00 -2.0240480000e+00 -1.5480000000e-03  8.5220200000e-01  1.5194240000e+00 -5.9476000000e-02  1.4119860000e+00  7.4513900000e-01  4.5790000000e-01  6.9317000000e-02  1.2157310000e+00
+ENERGY -1.526576166267e+02
+FORCES -2.7768000000e-03 -4.9823000000e-03 -1.9682000000e-03  4.4774000000e-03  1.5232000000e-03 -2.1897000000e-03 -1.1079000000e-03  3.0372000000e-03  2.7533000000e-03  3.5298000000e-03 -1.5340000000e-04 -6.0957000000e-03 -7.7290000000e-04 -1.4164000000e-03  4.3700000000e-03 -3.3496000000e-03  1.9917000000e-03  3.1303000000e-03
+
+JOB 55
+COORDS -6.1695700000e-01  1.6107910000e+00  1.2970800000e-01 -4.3935600000e-01  2.3179010000e+00 -4.9052200000e-01  7.0092000000e-02  9.6587100000e-01 -3.8444000000e-02  5.4381100000e-01 -1.5783710000e+00 -3.4875000000e-02  1.4411230000e+00 -1.5267800000e+00 -3.6411700000e-01  1.3436300000e-01 -2.2654380000e+00 -5.6072900000e-01
+ENERGY -1.526568380217e+02
+FORCES  3.3817000000e-03 -2.5688000000e-03 -2.4713000000e-03 -4.5060000000e-04 -3.0279000000e-03  2.1532000000e-03 -1.6315000000e-03  7.3717000000e-03  2.2000000000e-05  5.8990000000e-04 -5.9472000000e-03 -3.1924000000e-03 -4.5152000000e-03  1.5946000000e-03  1.1948000000e-03  2.6257000000e-03  2.5776000000e-03  2.2936000000e-03
+
+JOB 56
+COORDS -1.1526430000e+00 -6.0419100000e-01  1.1612260000e+00 -7.3541300000e-01 -7.5528200000e-01  3.1309600000e-01 -9.3703100000e-01 -1.3814460000e+00  1.6766080000e+00  1.1182700000e+00  6.1793400000e-01 -1.2021090000e+00  1.5994610000e+00  4.7189600000e-01 -3.8763900000e-01  6.0957500000e-01  1.4126310000e+00 -1.0411220000e+00
+ENERGY -1.526579566826e+02
+FORCES  1.9025000000e-03 -4.1646000000e-03 -2.7233000000e-03 -2.7124000000e-03  1.7860000000e-04  6.1876000000e-03 -3.3070000000e-04  3.2471000000e-03 -2.0942000000e-03  1.4407000000e-03  5.3160000000e-03  3.7175000000e-03 -2.5136000000e-03 -5.9900000000e-04 -3.9035000000e-03  2.2136000000e-03 -3.9782000000e-03 -1.1841000000e-03
+
+JOB 57
+COORDS  4.5720000000e-02 -1.0270890000e+00  1.4644140000e+00 -4.9204300000e-01 -7.5103700000e-01  2.2065980000e+00 -1.8240100000e-01 -4.1724700000e-01  7.6278400000e-01  2.0031000000e-02  9.2592600000e-01 -1.4416070000e+00  4.2034000000e-02  1.7921940000e+00 -1.0350010000e+00 -4.3104900000e-01  1.0632030000e+00 -2.2746210000e+00
+ENERGY -1.526577341742e+02
+FORCES -2.7628000000e-03  3.4949000000e-03 -2.3113000000e-03  2.0362000000e-03 -6.6070000000e-04 -2.8928000000e-03  4.7820000000e-04 -3.0122000000e-03  7.4538000000e-03 -1.0779000000e-03  4.6713000000e-03 -5.0352000000e-03 -8.8290000000e-04 -4.6243000000e-03 -8.4890000000e-04  2.2092000000e-03  1.3100000000e-04  3.6344000000e-03
+
+JOB 58
+COORDS  9.6391100000e-01  9.4066500000e-01 -1.1173390000e+00  1.6976900000e+00  1.1745860000e+00 -1.6857410000e+00  4.6161800000e-01  3.0267300000e-01 -1.6241910000e+00 -1.0088120000e+00 -9.6520300000e-01  1.1494930000e+00 -1.3353800000e+00 -2.4403100000e-01  1.6875420000e+00 -6.3778000000e-02 -8.2058200000e-01  1.1022950000e+00
+ENERGY -1.526573223361e+02
+FORCES  2.7360000000e-04 -1.0277000000e-03 -5.5866000000e-03 -3.1823000000e-03 -1.1058000000e-03  2.3214000000e-03  3.4343000000e-03  2.8848000000e-03  1.9966000000e-03  3.4019000000e-03  5.0034000000e-03  2.0254000000e-03  7.5930000000e-04 -3.2656000000e-03 -1.5921000000e-03 -4.6868000000e-03 -2.4890000000e-03  8.3540000000e-04
+
+JOB 59
+COORDS -7.2209200000e-01  9.4315600000e-01  1.3347830000e+00 -1.3113320000e+00  5.1867200000e-01  7.1121100000e-01 -9.6887300000e-01  5.7840800000e-01  2.1846590000e+00  7.7829800000e-01 -9.3565700000e-01 -1.3029770000e+00  2.5660500000e-01 -1.0524690000e+00 -2.0969690000e+00  1.1650040000e+00 -6.4987000000e-02 -1.3958380000e+00
+ENERGY -1.526551298987e+02
+FORCES -2.6166000000e-03 -5.0876000000e-03  3.7200000000e-04  9.8880000000e-04  3.2281000000e-03  2.8663000000e-03  7.1810000000e-04  1.6727000000e-03 -3.1974000000e-03  1.2176000000e-03  3.7425000000e-03 -3.0121000000e-03  1.3584000000e-03  6.5180000000e-04  3.8728000000e-03 -1.6663000000e-03 -4.2075000000e-03 -9.0150000000e-04
+
+JOB 60
+COORDS  3.6253100000e-01  5.9471200000e-01 -1.6359130000e+00  6.9392000000e-02  7.1259100000e-01 -2.5394640000e+00  6.1975700000e-01  1.4714930000e+00 -1.3507420000e+00 -2.9026300000e-01 -6.5441400000e-01  1.6592980000e+00 -8.7921700000e-01 -2.3775400000e-01  1.0302030000e+00 -8.5933500000e-01 -9.1870600000e-01  2.3821660000e+00
+ENERGY -1.526553643581e+02
+FORCES  1.6277000000e-03  4.1030000000e-03 -3.5107000000e-03  1.1377000000e-03 -4.8630000000e-04  4.0046000000e-03 -1.9692000000e-03 -3.6984000000e-03 -1.3019000000e-03 -4.4170000000e-03  4.1980000000e-04 -1.4205000000e-03  1.3406000000e-03 -1.3956000000e-03  5.2346000000e-03  2.2802000000e-03  1.0575000000e-03 -3.0060000000e-03
+
+JOB 61
+COORDS -8.3102000000e-02 -1.4970070000e+00 -1.0401680000e+00 -8.6518700000e-01 -2.0423230000e+00 -9.5527800000e-01  9.5787000000e-02 -1.4786700000e+00 -1.9803240000e+00  1.3974600000e-01  1.5914520000e+00  1.0719690000e+00  2.8760200000e-01  1.1805070000e+00  1.9237290000e+00 -3.4190100000e-01  9.3471700000e-01  5.6903000000e-01
+ENERGY -1.526570134395e+02
+FORCES -1.2576000000e-03 -3.5099000000e-03 -5.1862000000e-03  3.2354000000e-03  2.9558000000e-03  5.9300000000e-05 -1.1549000000e-03 -4.8570000000e-04  4.0696000000e-03 -6.1280000000e-04 -6.1015000000e-03  2.5500000000e-05 -7.5480000000e-04  1.9552000000e-03 -2.7240000000e-03  5.4470000000e-04  5.1861000000e-03  3.7559000000e-03
+
+JOB 62
+COORDS -1.9004500000e-01 -1.8085950000e+00  5.2458400000e-01  2.3231300000e-01 -1.4705230000e+00 -2.6507000000e-01  3.9176800000e-01 -2.5053190000e+00  8.2839500000e-01  7.6114000000e-02  1.8588600000e+00 -4.8866500000e-01  1.7243200000e-01  9.0651900000e-01 -4.8729400000e-01  9.6619300000e-01  2.1899200000e+00 -6.0862300000e-01
+ENERGY -1.526525886043e+02
+FORCES  4.1168000000e-03 -3.7056000000e-03 -1.3456000000e-03 -1.7987000000e-03  1.8675000000e-03  3.7656000000e-03 -2.7600000000e-03  3.0207000000e-03 -1.4123000000e-03  3.5234000000e-03 -2.4013000000e-03  9.2750000000e-04  6.5990000000e-04  2.8307000000e-03 -2.2752000000e-03 -3.7412000000e-03 -1.6120000000e-03  3.3990000000e-04
+
+JOB 63
+COORDS -4.9294900000e-01 -1.3409420000e+00 -1.1500380000e+00  2.4885400000e-01 -1.9419540000e+00 -1.2189190000e+00 -1.2418400000e+00 -1.8469210000e+00 -1.4652820000e+00  4.8808900000e-01  1.4783070000e+00  1.1985700000e+00 -1.3442000000e-02  7.0388300000e-01  1.4534550000e+00  1.0959320000e+00  1.1614010000e+00  5.3049000000e-01
+ENERGY -1.526559951391e+02
+FORCES -1.1423000000e-03 -5.0488000000e-03 -2.9462000000e-03 -2.8854000000e-03  3.0640000000e-03  8.0340000000e-04  3.3832000000e-03  1.8786000000e-03  1.3976000000e-03 -8.9700000000e-04 -5.5827000000e-03 -3.5416000000e-03  2.3970000000e-03  3.7619000000e-03  9.5310000000e-04 -8.5560000000e-04  1.9270000000e-03  3.3337000000e-03
+
+JOB 64
+COORDS -7.6727800000e-01 -1.7632450000e+00  3.3999800000e-01 -8.3745300000e-01 -2.6789480000e+00  6.0980400000e-01 -1.4781080000e+00 -1.3211320000e+00  8.0420500000e-01  8.0524000000e-01  1.8573740000e+00 -3.6598800000e-01  1.1523970000e+00  1.1320250000e+00  1.5322500000e-01  5.4102700000e-01  1.4552850000e+00 -1.1934830000e+00
+ENERGY -1.526565686559e+02
+FORCES -3.9598000000e-03 -2.5965000000e-03  3.1590000000e-03  1.9150000000e-04  3.8803000000e-03 -1.0298000000e-03  3.1846000000e-03 -2.1790000000e-03 -1.9377000000e-03  2.7920000000e-04 -6.0212000000e-03 -1.3884000000e-03 -7.7370000000e-04  4.2806000000e-03 -1.6494000000e-03  1.0782000000e-03  2.6358000000e-03  2.8463000000e-03
+
+JOB 65
+COORDS -9.6740400000e-01  1.5487730000e+00  7.5115800000e-01 -7.4881800000e-01  2.4556400000e+00  5.3657900000e-01 -1.9194180000e+00  1.5484770000e+00  8.5066000000e-01  9.7286700000e-01 -1.5707110000e+00 -7.9174900000e-01  8.6838700000e-01 -2.4746670000e+00 -4.9480100000e-01  1.6683820000e+00 -1.2152240000e+00 -2.3846900000e-01
+ENERGY -1.526534202555e+02
+FORCES -3.4049000000e-03  3.1885000000e-03 -1.3635000000e-03 -6.4790000000e-04 -3.7035000000e-03  1.0993000000e-03  3.8413000000e-03  2.1130000000e-04 -7.4200000000e-05  1.8187000000e-03 -1.0454000000e-03  4.4265000000e-03  3.3430000000e-04  3.4475000000e-03 -1.3682000000e-03 -1.9414000000e-03 -2.0983000000e-03 -2.7200000000e-03
+
+JOB 66
+COORDS -1.7764740000e+00 -5.7884000000e-02  1.1349070000e+00 -2.3003730000e+00  6.8066800000e-01  1.4452330000e+00 -1.0216170000e+00 -8.0579000000e-02  1.7230460000e+00  1.8229850000e+00  3.3103000000e-02 -1.1704780000e+00  1.4490900000e+00 -8.1563500000e-01 -1.4072870000e+00  1.0865970000e+00  6.4247300000e-01 -1.2217740000e+00
+ENERGY -1.526558949528e+02
+FORCES  5.7450000000e-04  2.6045000000e-03  4.6327000000e-03  2.3087000000e-03 -2.9546000000e-03 -1.4404000000e-03 -3.5057000000e-03  2.3280000000e-04 -2.6937000000e-03 -5.4215000000e-03 -1.1663000000e-03 -1.4975000000e-03  2.1577000000e-03  3.2483000000e-03  8.7770000000e-04  3.8863000000e-03 -1.9647000000e-03  1.2130000000e-04
+
+JOB 67
+COORDS  8.1540500000e-01  2.0383180000e+00 -7.5570300000e-01  5.9801000000e-02  1.6041490000e+00 -3.5973300000e-01  1.2413620000e+00  1.3545800000e+00 -1.2727090000e+00 -7.7810700000e-01 -1.9081070000e+00  7.6655400000e-01 -7.9480900000e-01 -2.4965590000e+00  1.1785000000e-02 -1.0962970000e+00 -2.4422210000e+00  1.4943660000e+00
+ENERGY -1.526555918034e+02
+FORCES -1.5831000000e-03 -5.4135000000e-03  3.7420000000e-04  3.0804000000e-03  2.9209000000e-03 -2.2483000000e-03 -1.4206000000e-03  2.9822000000e-03  1.4514000000e-03 -1.5352000000e-03 -5.2836000000e-03  6.6370000000e-04  1.9520000000e-04  2.7485000000e-03  2.9499000000e-03  1.2633000000e-03  2.0456000000e-03 -3.1910000000e-03
+
+JOB 68
+COORDS -3.7620000000e-01  2.2323040000e+00  6.5668000000e-01 -5.6381800000e-01  3.0866880000e+00  2.6801600000e-01  4.2149700000e-01  1.9384640000e+00  2.1671400000e-01  3.1228500000e-01 -2.3230900000e+00 -5.7997300000e-01  7.8629400000e-01 -2.2949230000e+00 -1.4110890000e+00  3.3678200000e-01 -1.4216220000e+00 -2.5905600000e-01
+ENERGY -1.526537402815e+02
+FORCES  2.1732000000e-03  3.4671000000e-03 -3.1407000000e-03  9.1510000000e-04 -3.6199000000e-03  1.6520000000e-03 -3.4771000000e-03 -1.4000000000e-06  1.6078000000e-03  1.3696000000e-03  3.7383000000e-03 -1.7616000000e-03 -1.8216000000e-03  9.3700000000e-05  3.4394000000e-03  8.4080000000e-04 -3.6777000000e-03 -1.7969000000e-03
+
+JOB 69
+COORDS  1.0303530000e+00  2.2785120000e+00 -4.6676300000e-01  5.0008200000e-01  2.0204710000e+00  2.8719900000e-01  7.3931700000e-01  1.7021390000e+00 -1.1733920000e+00 -9.3759300000e-01 -2.2857660000e+00  4.6264300000e-01 -8.0234400000e-01 -1.3742030000e+00  7.2147100000e-01 -1.8754560000e+00 -2.3471310000e+00  2.8131400000e-01
+ENERGY -1.526533297844e+02
+FORCES -2.8574000000e-03 -3.1320000000e-03 -1.7880000000e-04  1.8474000000e-03  5.1820000000e-04 -3.0710000000e-03  9.0150000000e-04  2.4627000000e-03  3.3461000000e-03 -3.5130000000e-03  2.8072000000e-03  7.1890000000e-04 -4.4810000000e-04 -3.1235000000e-03 -1.4963000000e-03  4.0695000000e-03  4.6730000000e-04  6.8110000000e-04
+
+JOB 70
+COORDS  8.0480000000e-01 -1.7813090000e+00 -1.5362830000e+00  1.0887250000e+00 -2.6915150000e+00 -1.4517620000e+00  1.8027000000e-02 -1.8248170000e+00 -2.0797240000e+00 -7.9402200000e-01  1.8916100000e+00  1.5300120000e+00 -5.4051100000e-01  1.0444370000e+00  1.1635950000e+00 -7.5389800000e-01  1.7647850000e+00  2.4779240000e+00
+ENERGY -1.526550878647e+02
+FORCES -1.6896000000e-03 -4.1718000000e-03 -2.6405000000e-03 -1.2690000000e-03  3.7825000000e-03 -2.5310000000e-04  3.2067000000e-03  1.6520000000e-04  2.5725000000e-03  1.7463000000e-03 -4.2483000000e-03  1.9350000000e-03 -1.7246000000e-03  3.9088000000e-03  2.0596000000e-03 -2.6980000000e-04  5.6350000000e-04 -3.6735000000e-03
+
+JOB 71
+COORDS -4.6272900000e-01 -1.4068690000e+00 -2.1949630000e+00 -1.9899600000e-01 -1.1761440000e+00 -1.3042090000e+00  3.2275000000e-01 -1.2628750000e+00 -2.7227130000e+00  3.5601300000e-01  1.3572970000e+00  2.2102960000e+00  7.5228800000e-01  2.2071060000e+00  2.4027070000e+00  8.4353900000e-01  1.0308860000e+00  1.4539840000e+00
+ENERGY -1.526534222799e+02
+FORCES  3.8693000000e-03  1.2277000000e-03  1.4720000000e-03 -5.1040000000e-04 -6.1540000000e-04 -3.7300000000e-03 -3.1663000000e-03 -4.3100000000e-04  2.3614000000e-03  3.6230000000e-03  2.7419000000e-03 -1.8965000000e-03 -1.6008000000e-03 -3.6266000000e-03 -8.1400000000e-04 -2.2147000000e-03  7.0350000000e-04  2.6070000000e-03
+
+JOB 72
+COORDS  4.6897900000e-01  2.1338870000e+00  1.5518320000e+00  4.7231000000e-02  1.3081670000e+00  1.3140360000e+00  1.9875000000e-02  2.7936550000e+00  1.0233980000e+00 -4.2382900000e-01 -2.0648450000e+00 -1.4728480000e+00 -7.7879600000e-01 -2.9238130000e+00 -1.2439280000e+00  6.4619000000e-02 -2.2149690000e+00 -2.2822380000e+00
+ENERGY -1.526551282438e+02
+FORCES -3.5604000000e-03 -1.2751000000e-03 -3.5500000000e-03  1.6776000000e-03  3.9180000000e-03  1.5937000000e-03  1.8221000000e-03 -2.3574000000e-03  2.2168000000e-03  7.7350000000e-04 -4.4277000000e-03 -2.6257000000e-03  1.4186000000e-03  3.5819000000e-03 -9.2980000000e-04 -2.1315000000e-03  5.6010000000e-04  3.2949000000e-03
+
+JOB 73
+COORDS -9.6880000000e-01 -1.2006890000e+00  2.2216530000e+00 -3.0988000000e-02 -1.3307560000e+00  2.3624480000e+00 -1.1870280000e+00 -1.7897880000e+00  1.4994540000e+00  9.3087600000e-01  1.1755870000e+00 -2.1779870000e+00  1.6490790000e+00  1.8041200000e+00 -2.2512120000e+00  1.4025100000e-01  1.6976330000e+00 -2.3144100000e+00
+ENERGY -1.526545456508e+02
+FORCES  3.2969000000e-03 -2.7104000000e-03 -2.9598000000e-03 -3.8424000000e-03  3.7680000000e-04 -1.4630000000e-04  5.7890000000e-04  2.1793000000e-03  3.1873000000e-03 -4.8410000000e-04  4.9391000000e-03 -6.7590000000e-04 -2.8589000000e-03 -2.6139000000e-03  2.6720000000e-04  3.3096000000e-03 -2.1709000000e-03  3.2750000000e-04
+
+JOB 74
+COORDS -1.2917820000e+00 -2.3312340000e+00  5.4877400000e-01 -1.0728360000e+00 -3.1644990000e+00  9.6586300000e-01 -1.6772950000e+00 -2.5776870000e+00 -2.9198300000e-01  1.2990250000e+00  2.3264950000e+00 -5.6480000000e-01  1.3810670000e+00  3.2259180000e+00 -8.8187600000e-01  1.2363390000e+00  2.4121720000e+00  3.8649500000e-01
+ENERGY -1.526539181539e+02
+FORCES -4.5260000000e-04 -4.2015000000e-03 -2.1688000000e-03 -9.2300000000e-04  3.4056000000e-03 -1.5775000000e-03  1.3767000000e-03  7.7990000000e-04  3.5767000000e-03 -2.0970000000e-04  3.6266000000e-03  2.9324000000e-03 -3.1780000000e-04 -3.6579000000e-03  1.1864000000e-03  5.2630000000e-04  4.7300000000e-05 -3.9491000000e-03
+
+JOB 75
+COORDS  4.6902700000e-01  1.8834610000e+00 -2.0451330000e+00  3.0656100000e-01  2.3380220000e+00 -1.2185670000e+00  2.6042500000e-01  2.5298960000e+00 -2.7195500000e+00 -4.9882900000e-01 -1.9591470000e+00  1.9938820000e+00 -3.8944200000e-01 -2.1662330000e+00  2.9219890000e+00  2.6971000000e-01 -1.4329540000e+00  1.7731990000e+00
+ENERGY -1.526540537667e+02
+FORCES -1.8920000000e-03  4.4773000000e-03  3.9030000000e-04  9.4810000000e-04 -1.9302000000e-03 -3.2238000000e-03  9.2600000000e-04 -2.5829000000e-03  2.7769000000e-03  3.7522000000e-03  1.1560000000e-03  2.5024000000e-03 -4.9670000000e-04  9.0490000000e-04 -3.7542000000e-03 -3.2377000000e-03 -2.0251000000e-03  1.3084000000e-03
+
+JOB 76
+COORDS -1.9127490000e+00 -1.9932740000e+00 -1.0638070000e+00 -1.7731190000e+00 -2.6099650000e+00 -3.4517800000e-01 -1.8781000000e+00 -1.1308050000e+00 -6.5007000000e-01  1.8799360000e+00  1.9272730000e+00  9.9571400000e-01  1.6729380000e+00  2.7046240000e+00  4.7695700000e-01  2.5453440000e+00  2.2234320000e+00  1.6168060000e+00
+ENERGY -1.526545484721e+02
+FORCES  1.2563000000e-03  1.2285000000e-03  4.8056000000e-03 -7.8410000000e-04  2.2867000000e-03 -2.9441000000e-03 -6.2360000000e-04 -3.5641000000e-03 -1.8664000000e-03  2.2332000000e-03  4.4544000000e-03  3.1020000000e-04  6.8960000000e-04 -3.2146000000e-03  2.2098000000e-03 -2.7714000000e-03 -1.1908000000e-03 -2.5151000000e-03
+
+JOB 77
+COORDS -7.2331800000e-01 -1.4308490000e+00  2.4352060000e+00 -5.5576500000e-01 -7.4855800000e-01  3.0853110000e+00 -1.6651240000e+00 -1.5916400000e+00  2.4933390000e+00  7.1052900000e-01  1.3777610000e+00 -2.4587250000e+00  1.4529470000e+00  9.2782500000e-01 -2.8619680000e+00  1.0052770000e+00  2.2826450000e+00 -2.3560540000e+00
+ENERGY -1.526537366177e+02
+FORCES -3.2527000000e-03  2.4130000000e-03  2.4334000000e-03 -6.2200000000e-04 -2.8490000000e-03 -2.4571000000e-03  3.8287000000e-03  5.2970000000e-04 -4.0800000000e-05  4.3261000000e-03  1.5115000000e-03 -9.7340000000e-04 -3.0187000000e-03  1.9872000000e-03  1.4641000000e-03 -1.2615000000e-03 -3.5923000000e-03 -4.2620000000e-04
+
+JOB 78
+COORDS -1.8476980000e+00 -2.3236130000e+00  4.3655700000e-01 -2.4296070000e+00 -2.5482150000e+00 -2.8950600000e-01 -1.2493340000e+00 -3.0677250000e+00  5.0356300000e-01  1.8334180000e+00  2.3175280000e+00 -3.7010900000e-01  1.5239000000e+00  3.1518280000e+00 -1.7442000000e-02  2.3660990000e+00  2.5599820000e+00 -1.1275390000e+00
+ENERGY -1.526536457556e+02
+FORCES  4.7360000000e-04 -3.6831000000e-03 -2.8005000000e-03  2.2433000000e-03  8.6120000000e-04  2.9814000000e-03 -2.6036000000e-03  2.8536000000e-03 -2.2740000000e-04  6.0910000000e-04  4.3287000000e-03 -1.5149000000e-03  1.3994000000e-03 -3.3177000000e-03 -1.4920000000e-03 -2.1218000000e-03 -1.0428000000e-03  3.0535000000e-03
+
+JOB 79
+COORDS -2.7933000000e-02  2.0080900000e+00 -2.3591700000e+00  4.3398600000e-01  2.5948700000e+00 -1.7603780000e+00  2.2587000000e-01  1.1292280000e+00 -2.0773590000e+00 -3.3860000000e-03 -1.9428060000e+00  2.3520140000e+00  3.5725600000e-01 -2.8244700000e+00  2.4460240000e+00 -4.9462900000e-01 -1.9707460000e+00  1.5309590000e+00
+ENERGY -1.526541924705e+02
+FORCES  3.0743000000e-03 -9.7110000000e-04  3.7562000000e-03 -1.9100000000e-03 -2.3874000000e-03 -2.5827000000e-03 -1.2280000000e-03  3.3417000000e-03 -1.2335000000e-03 -8.0640000000e-04 -4.0105000000e-03 -2.6111000000e-03 -1.4386000000e-03  3.6900000000e-03 -4.7370000000e-04  2.3087000000e-03  3.3740000000e-04  3.1448000000e-03
+
+JOB 80
+COORDS -4.2950000000e-01  1.8307300000e+00  2.4355420000e+00  9.0335000000e-02  2.3003450000e+00  3.0878200000e+00  1.7939900000e-01  1.1990080000e+00  2.0529190000e+00  3.2979800000e-01 -1.8440910000e+00 -2.4059350000e+00  3.4747500000e-01 -2.0255620000e+00 -3.3456090000e+00  1.1035900000e+00 -1.3021970000e+00 -2.2515670000e+00
+ENERGY -1.526539107006e+02
+FORCES  4.4137000000e-03 -9.3100000000e-04  1.0729000000e-03 -2.0911000000e-03 -1.8770000000e-03 -2.7010000000e-03 -2.2445000000e-03  2.8091000000e-03  1.5891000000e-03  3.0111000000e-03  1.4787000000e-03 -3.4854000000e-03  2.0000000000e-07  7.1400000000e-04  3.8675000000e-03 -3.0895000000e-03 -2.1939000000e-03 -3.4310000000e-04
+
+JOB 81
+COORDS  1.9440110000e+00  2.4689170000e+00  6.6380200000e-01  2.8969560000e+00  2.5461630000e+00  6.1731300000e-01  1.6792510000e+00  2.2271730000e+00 -2.2371900000e-01 -1.9902050000e+00 -2.5168560000e+00 -5.9509000000e-01 -1.4068500000e+00 -2.1798790000e+00 -1.2750720000e+00 -2.4034540000e+00 -1.7367140000e+00 -2.2517700000e-01
+ENERGY -1.526539559921e+02
+FORCES  3.0998000000e-03 -5.6180000000e-04 -3.6642000000e-03 -3.9583000000e-03 -3.0870000000e-04  1.2930000000e-04  8.3470000000e-04  8.3010000000e-04  3.5790000000e-03  6.7520000000e-04  4.5860000000e-03 -9.9530000000e-04 -2.3095000000e-03 -1.3211000000e-03  2.6500000000e-03  1.6581000000e-03 -3.2245000000e-03 -1.6989000000e-03
+
+JOB 82
+COORDS -4.1834000000e-02 -3.8629000000e+00  6.5279500000e-01  7.9194300000e-01 -3.6366670000e+00  2.4064800000e-01 -5.8379200000e-01 -3.0816350000e+00  5.4261900000e-01  3.6313000000e-02  3.8554930000e+00 -6.5955700000e-01 -8.0447300000e-01  3.4462830000e+00 -4.5496600000e-01  6.8280400000e-01  3.3163360000e+00 -2.0393500000e-01
+ENERGY -1.526538334164e+02
+FORCES  1.1948000000e-03  3.9055000000e-03 -2.2287000000e-03 -3.4487000000e-03 -8.1070000000e-04  1.7476000000e-03  2.2515000000e-03 -3.0441000000e-03  5.0840000000e-04 -8.1170000000e-04 -3.6120000000e-03  2.7703000000e-03  3.5024000000e-03  1.5187000000e-03 -8.6810000000e-04 -2.6884000000e-03  2.0426000000e-03 -1.9295000000e-03
+
+JOB 83
+COORDS  5.6492900000e-01  3.2585480000e+00  2.2456620000e+00  8.7255600000e-01  2.5930030000e+00  1.6303190000e+00  4.3871000000e-02  3.8574010000e+00  1.7107740000e+00 -5.8444400000e-01 -3.2469880000e+00 -2.2456780000e+00 -3.0990900000e-01 -2.5549100000e+00 -1.6441050000e+00 -3.4011900000e-01 -4.0600800000e+00 -1.8036170000e+00
+ENERGY -1.526539795793e+02
+FORCES -8.7500000000e-04 -6.9900000000e-05 -4.6934000000e-03 -1.2794000000e-03  2.5429000000e-03  2.5141000000e-03  2.1473000000e-03 -2.5137000000e-03  2.1923000000e-03  2.0692000000e-03 -6.7850000000e-04  4.2800000000e-03 -1.0805000000e-03 -2.6542000000e-03 -2.4741000000e-03 -9.8140000000e-04  3.3735000000e-03 -1.8190000000e-03
+
+JOB 84
+COORDS -4.6909200000e-01 -2.2013130000e+00  5.6056270000e+00 -1.2236200000e+00 -1.6134520000e+00  5.5690460000e+00  2.8780800000e-01 -1.6174870000e+00  5.6554480000e+00  4.6411100000e-01  2.2004780000e+00 -5.5926290000e+00  7.7161000000e-02  1.7426220000e+00 -6.3388660000e+00  9.3804500000e-01  1.5207380000e+00 -5.1134920000e+00
+ENERGY -1.526541198066e+02
+FORCES -2.2000000000e-06  4.8001000000e-03  8.0200000000e-05  3.0806000000e-03 -2.4099000000e-03  1.4130000000e-04 -3.0787000000e-03 -2.3945000000e-03 -2.1650000000e-04  3.5550000000e-04 -4.6597000000e-03 -1.1138000000e-03  1.5770000000e-03  1.8749000000e-03  3.0468000000e-03 -1.9321000000e-03  2.7891000000e-03 -1.9379000000e-03
+
+JOB 85
+COORDS  3.8558440000e+00  6.9839630000e+00  1.5128950000e+00  3.2856140000e+00  7.5122690000e+00  9.5435900000e-01  4.7401230000e+00  7.2891390000e+00  1.3100410000e+00 -3.8519960000e+00 -7.0102940000e+00 -1.5327930000e+00 -3.5229590000e+00 -7.6917880000e+00 -9.4667600000e-01 -4.5700810000e+00 -6.6031540000e+00 -1.0482090000e+00
+ENERGY -1.526540787905e+02
+FORCES  1.2812000000e-03  3.3892000000e-03 -3.1215000000e-03  2.3254000000e-03 -2.1487000000e-03  2.2859000000e-03 -3.6061000000e-03 -1.2402000000e-03  8.3410000000e-04 -1.5721000000e-03 -1.1017000000e-03  4.3814000000e-03 -1.3482000000e-03  2.7702000000e-03 -2.3966000000e-03  2.9199000000e-03 -1.6689000000e-03 -1.9834000000e-03
+
+JOB 86
+COORDS -5.9124480000e+00  3.9891440000e+00 -5.0342580000e+00 -5.8837050000e+00  4.9458980000e+00 -5.0395200000e+00 -6.2017900000e+00  3.7528910000e+00 -5.9155620000e+00  5.9106050000e+00 -3.9674450000e+00  5.0978250000e+00  6.7641660000e+00 -4.2882660000e+00  4.8067240000e+00  5.3695360000e+00 -4.7539890000e+00  5.1672870000e+00
+ENERGY -1.526540603549e+02
+FORCES -1.0526000000e-03  2.9434000000e-03 -3.6070000000e-03 -1.2310000000e-04 -3.9040000000e-03  1.5500000000e-05  1.1770000000e-03  9.6110000000e-04  3.5926000000e-03  1.2569000000e-03 -4.5125000000e-03 -9.1680000000e-04 -3.4753000000e-03  1.3079000000e-03  1.1923000000e-03  2.2171000000e-03  3.2041000000e-03 -2.7660000000e-04
+
+JOB 87
+COORDS -8.4332510000e+00  2.0356950000e+00 -1.7491080000e+00 -7.6093730000e+00  2.4925900000e+00 -1.5796820000e+00 -8.8983430000e+00  2.0614930000e+00 -9.1289300000e-01  8.4208590000e+00 -2.0504900000e+00  1.7610750000e+00  7.6303470000e+00 -2.2296070000e+00  1.2519200000e+00  9.1287660000e+00 -2.0610850000e+00  1.1168790000e+00
+ENERGY -1.526540841295e+02
+FORCES  1.4548000000e-03  1.9742000000e-03  4.1091000000e-03 -3.3552000000e-03 -1.8676000000e-03 -6.9650000000e-04  1.8996000000e-03 -1.0690000000e-04 -3.4135000000e-03 -3.2870000000e-04 -7.8440000000e-04 -4.7088000000e-03  3.2194000000e-03  7.3750000000e-04  2.0808000000e-03 -2.8900000000e-03  4.7200000000e-05  2.6290000000e-03
+
+JOB 88
+COORDS  6.9673470000e+00 -4.0662280000e+00  5.7417880000e+00  7.6380960000e+00 -4.1594420000e+00  6.4182770000e+00  6.6660300000e+00 -4.9598510000e+00  5.5778450000e+00 -6.9829840000e+00  4.1391730000e+00 -5.7006850000e+00 -6.8330730000e+00  3.2604310000e+00 -6.0493550000e+00 -7.1874520000e+00  4.6709140000e+00 -6.4698900000e+00
+ENERGY -1.526540632552e+02
+FORCES  1.5003000000e-03 -4.0201000000e-03  2.0940000000e-03 -2.7338000000e-03  3.7780000000e-04 -2.7612000000e-03  1.2326000000e-03  3.6429000000e-03  6.6710000000e-04 -2.0970000000e-04 -1.4167000000e-03 -4.5545000000e-03 -6.1860000000e-04  3.5850000000e-03  1.4184000000e-03  8.2920000000e-04 -2.1689000000e-03  3.1362000000e-03
+
+JOB 89
+COORDS -1.2178765000e+01 -1.9926320000e+00 -5.4365160000e+00 -1.2633656000e+01 -2.0726420000e+00 -4.5981220000e+00 -1.1403228000e+01 -2.5457470000e+00 -5.3425090000e+00  1.2139325000e+01  2.0330320000e+00  5.4460410000e+00  1.1816655000e+01  2.5134090000e+00  4.6835750000e+00  1.2832035000e+01  1.4704800000e+00  5.0997460000e+00
+ENERGY -1.526540766313e+02
+FORCES  1.3060000000e-03 -2.5824000000e-03  3.8056000000e-03  1.8562000000e-03  3.2610000000e-04 -3.4208000000e-03 -3.1623000000e-03  2.2563000000e-03 -3.8490000000e-04  1.5130000000e-03 -3.3190000000e-04 -4.5226000000e-03  1.3144000000e-03 -1.9614000000e-03  3.1103000000e-03 -2.8273000000e-03  2.2932000000e-03  1.4125000000e-03
+
+JOB 0
+COORDS -8.7864300000e-01 -7.8408700000e-01 -5.0366300000e-01 -5.3942000000e-02 -3.3318300000e-01 -3.2259500000e-01 -7.3483000000e-01 -1.6795250000e+00 -1.9749400000e-01  8.4541000000e-01  7.5315600000e-01  4.8146900000e-01  9.1239900000e-01  1.3385700000e+00 -2.7287400000e-01  3.3117300000e-01  1.2447810000e+00  1.1218570000e+00
+ENERGY -1.526538578125e+02
+FORCES  1.8892900000e-02  1.3508100000e-02  1.1623800000e-02 -3.4872000000e-03 -1.1241000000e-03 -8.3280000000e-03  1.0780000000e-03  3.4836000000e-03  5.0720000000e-04 -1.7293400000e-02 -8.0096000000e-03 -3.2197000000e-03 -3.3504000000e-03 -6.9786000000e-03  2.9193000000e-03  4.1602000000e-03 -8.7940000000e-04 -3.5026000000e-03
+
+JOB 1
+COORDS -1.1146080000e+00  6.7256400000e-01 -1.6554000000e-02 -1.8766570000e+00  1.9844400000e-01  3.1619700000e-01 -3.7071400000e-01  1.0706600000e-01  1.9096800000e-01  1.0704200000e+00 -5.7999200000e-01  2.3216000000e-02  2.0128250000e+00 -4.3239000000e-01 -5.6278000000e-02  9.2307500000e-01 -1.4246850000e+00 -4.0224200000e-01
+ENERGY -1.526544876044e+02
+FORCES  1.8723200000e-02 -7.9382000000e-03  1.4714000000e-03  4.8414000000e-03 -1.4127000000e-03 -1.2141000000e-03 -7.1263000000e-03 -2.6493000000e-03 -5.5970000000e-04 -1.2571900000e-02  1.0672000000e-02 -1.7272000000e-03 -4.1671000000e-03 -3.3747000000e-03 -1.0862000000e-03  3.0070000000e-04  4.7028000000e-03  3.1158000000e-03
+
+JOB 2
+COORDS -4.1328600000e-01  9.7889400000e-01  8.4040300000e-01 -7.7960000000e-02  5.8026800000e-01  1.6434510000e+00 -1.2907500000e-01  3.8851700000e-01  1.4261300000e-01  3.5113000000e-01 -8.8567500000e-01 -8.0474800000e-01  6.5627100000e-01 -6.5901900000e-01 -1.6832400000e+00  5.3156900000e-01 -1.8220810000e+00 -7.2218200000e-01
+ENERGY -1.526569231319e+02
+FORCES  6.8907000000e-03 -1.6033400000e-02 -9.7846000000e-03 -1.0355000000e-03  5.0240000000e-04 -1.6021000000e-03 -1.0821000000e-03  6.3472000000e-03 -1.5700000000e-05 -3.4006000000e-03  6.4284000000e-03  8.7304000000e-03 -1.6892000000e-03 -1.7420000000e-03  5.0580000000e-03  3.1670000000e-04  4.4974000000e-03 -2.3860000000e-03
+
+JOB 3
+COORDS  1.1723040000e+00 -4.1311800000e-01 -5.4303200000e-01  1.8675590000e+00 -3.8676100000e-01  1.1435600000e-01  3.6660400000e-01 -2.7142200000e-01 -4.6040000000e-02 -1.1508560000e+00  3.5283800000e-01  4.4657600000e-01 -7.2931900000e-01  1.2121420000e+00  4.3496600000e-01 -1.8868040000e+00  4.5468900000e-01  1.0500980000e+00
+ENERGY -1.526572771338e+02
+FORCES -1.1626300000e-02 -3.3500000000e-04  7.0196000000e-03 -3.4716000000e-03  1.1116000000e-03 -1.1314000000e-03  6.8768000000e-03  6.3629000000e-03 -2.8390000000e-03  4.4134000000e-03 -1.4461000000e-03 -1.1837000000e-03  8.0000000000e-06 -7.6446000000e-03  1.3878000000e-03  3.7998000000e-03  1.9512000000e-03 -3.2531000000e-03
+
+JOB 4
+COORDS -1.0010830000e+00  3.2624300000e-01  8.8633300000e-01 -1.9154700000e-01  7.9430000000e-03  4.8687300000e-01 -1.6971810000e+00 -1.3394400000e-01  4.1739200000e-01  1.0020280000e+00 -3.4247100000e-01 -8.0915900000e-01  8.1564700000e-01 -1.2159000000e-01 -1.7216860000e+00  1.1525700000e+00  5.0172300000e-01 -3.8382900000e-01
+ENERGY -1.526534315656e+02
+FORCES  7.0681000000e-03 -9.5200000000e-03 -1.1998600000e-02  5.5467000000e-03  1.0388100000e-02  3.5607000000e-03  9.2320000000e-04  2.0465000000e-03  1.5070000000e-03 -6.6698000000e-03  6.4495000000e-03 -1.0126000000e-03  1.4738000000e-03 -1.2112000000e-03  4.4519000000e-03 -8.3421000000e-03 -8.1529000000e-03  3.4916000000e-03
+
+JOB 5
+COORDS  4.7623500000e-01  1.5511100000e-01 -1.2765490000e+00 -2.5637500000e-01  3.5250600000e-01 -1.8601150000e+00  6.4655000000e-02 -1.7477600000e-01 -4.7779500000e-01 -4.3875700000e-01 -1.9326900000e-01  1.2236550000e+00 -6.0394900000e-01  7.4530700000e-01  1.3132020000e+00  2.3548900000e-01 -3.8163000000e-01  1.8764510000e+00
+ENERGY -1.526599376050e+02
+FORCES -6.5243000000e-03 -4.4442000000e-03  1.3207500000e-02  1.2320000000e-03 -5.0700000000e-05  3.6925000000e-03  2.4752000000e-03  3.6318000000e-03 -9.6648000000e-03  5.5611000000e-03  4.3659000000e-03 -2.9278000000e-03  8.4810000000e-04 -5.3952000000e-03 -1.2462000000e-03 -3.5921000000e-03  1.8924000000e-03 -3.0612000000e-03
+
+JOB 6
+COORDS -8.3689700000e-01  2.5997400000e-01  1.0637090000e+00 -2.3956800000e-01  2.3751200000e-01  3.1609600000e-01 -1.2178150000e+00  1.1378030000e+00  1.0402540000e+00  8.4759800000e-01 -2.5155500000e-01 -9.9417600000e-01  2.3761200000e-01 -3.8422800000e-01 -1.7198120000e+00  1.0866730000e+00 -1.1359640000e+00 -7.1687300000e-01
+ENERGY -1.526604971393e+02
+FORCES  1.0334200000e-02  4.1300000000e-05 -1.1361800000e-02 -8.6552000000e-03  4.7880000000e-04  7.5808000000e-03  1.8002000000e-03 -2.6257000000e-03 -1.9108000000e-03 -3.4365000000e-03 -4.3874000000e-03  1.9927000000e-03  2.3381000000e-03  1.2187000000e-03  5.2948000000e-03 -2.3807000000e-03  5.2744000000e-03 -1.5958000000e-03
+
+JOB 7
+COORDS -9.3575300000e-01 -6.3712600000e-01  6.2833200000e-01 -1.2314420000e+00 -2.9624800000e-01  1.4724900000e+00 -1.7187290000e+00 -1.0267780000e+00  2.3929500000e-01  1.0658900000e+00  6.2169000000e-01 -6.5776800000e-01  2.9825200000e-01  1.1550300000e-01 -3.9179900000e-01  7.1450700000e-01  1.4752460000e+00 -9.1115200000e-01
+ENERGY -1.526595060937e+02
+FORCES  3.0266000000e-03  4.1136000000e-03  5.8300000000e-04 -6.2890000000e-04 -2.5496000000e-03 -4.5060000000e-03  3.9098000000e-03  3.0503000000e-03  2.1133000000e-03 -1.2346200000e-02 -5.3153000000e-03  6.6829000000e-03  5.8416000000e-03  3.2426000000e-03 -6.1362000000e-03  1.9700000000e-04 -2.5415000000e-03  1.2630000000e-03
+
+JOB 8
+COORDS  3.1334000000e-01  1.2467810000e+00  2.2125400000e-01 -3.4225000000e-02  2.0377670000e+00  6.3328600000e-01  4.4302200000e-01  1.4907390000e+00 -6.9520600000e-01 -3.3999200000e-01 -1.3210900000e+00 -2.4125100000e-01  1.5801300000e-01 -1.9582770000e+00  2.7081800000e-01 -1.1757600000e-01 -4.7484200000e-01  1.4685600000e-01
+ENERGY -1.526610344687e+02
+FORCES -3.0041000000e-03 -2.7294000000e-03 -3.0375000000e-03  2.2092000000e-03 -2.8352000000e-03 -3.2486000000e-03 -1.0544000000e-03 -1.7400000000e-04  5.5318000000e-03  3.6161000000e-03  1.1695400000e-02  4.9541000000e-03 -1.0207000000e-03  3.1588000000e-03 -7.6140000000e-04 -7.4610000000e-04 -9.1156000000e-03 -3.4385000000e-03
+
+JOB 9
+COORDS -6.1386100000e-01 -1.1074290000e+00 -5.2185100000e-01  3.0891300000e-01 -1.3617820000e+00 -5.2684000000e-01 -9.0952900000e-01 -1.2944280000e+00  3.6912800000e-01  5.3709800000e-01  1.1753370000e+00  4.9541500000e-01  1.4841550000e+00  1.2747940000e+00  3.9833700000e-01  3.5137600000e-01  3.0067800000e-01  1.5378600000e-01
+ENERGY -1.526527327308e+02
+FORCES  4.9840000000e-04 -9.1280000000e-04  4.1981000000e-03 -3.6280000000e-03  9.9033000000e-03  2.8983000000e-03  3.7305000000e-03  3.3057000000e-03 -5.2345000000e-03 -5.0893000000e-03 -8.4120000000e-03 -6.7272000000e-03 -3.9079000000e-03 -3.1841000000e-03 -8.2340000000e-04  8.3963000000e-03 -7.0010000000e-04  5.6887000000e-03
+
+JOB 10
+COORDS  4.2814700000e-01 -1.0751010000e+00 -7.7420300000e-01  8.5335200000e-01 -1.7441350000e+00 -2.3770900000e-01  3.3827400000e-01 -3.2131300000e-01 -1.9114200000e-01 -4.0976100000e-01  1.0229890000e+00  7.3370700000e-01 -1.1475400000e-01  1.7347410000e+00  1.6571700000e-01 -1.3554280000e+00  1.1512920000e+00  8.0775400000e-01
+ENERGY -1.526597833622e+02
+FORCES -4.1426000000e-03  9.0929000000e-03  1.0402200000e-02 -1.6825000000e-03  2.6931000000e-03 -6.4700000000e-04  6.2533000000e-03 -4.2358000000e-03 -7.2498000000e-03 -4.1295000000e-03 -2.9197000000e-03 -4.4496000000e-03 -1.1210000000e-03 -6.0228000000e-03  1.9753000000e-03  4.8224000000e-03  1.3922000000e-03 -3.1200000000e-05
+
+JOB 11
+COORDS -4.7346500000e-01 -8.6868200000e-01 -9.8872900000e-01 -7.8041500000e-01 -4.6865200000e-01 -1.8023560000e+00 -4.4957000000e-01 -1.4686900000e-01 -3.6052000000e-01  4.2224100000e-01  8.0413900000e-01  9.8476100000e-01  8.6248600000e-01  8.6812300000e-01  1.8323000000e+00  1.1253590000e+00  8.9496500000e-01  3.4163800000e-01
+ENERGY -1.526584820030e+02
+FORCES -8.1890000000e-04  5.5110000000e-03  7.5472000000e-03  2.2465000000e-03  2.1800000000e-04  3.7737000000e-03  2.0505000000e-03 -1.4576000000e-03 -9.1763000000e-03  2.5749000000e-03 -4.3968000000e-03  4.1500000000e-05 -9.9300000000e-05  5.5290000000e-04 -4.4787000000e-03 -5.9538000000e-03 -4.2750000000e-04  2.2927000000e-03
+
+JOB 12
+COORDS  7.7965000000e-02 -4.2973500000e-01 -1.2797910000e+00  3.1746600000e-01  4.5186700000e-01 -9.9404800000e-01  3.1911500000e-01 -4.5569300000e-01 -2.2057520000e+00 -5.2512000000e-02  4.2429800000e-01  1.3304880000e+00 -9.0366600000e-01  4.2886600000e-01  1.7683780000e+00 -1.1319700000e-01 -2.8927200000e-01  6.9537700000e-01
+ENERGY -1.526600118008e+02
+FORCES  1.4878000000e-03  3.4770000000e-03  3.9060000000e-04 -1.3370000000e-03 -7.6126000000e-03 -9.9860000000e-04 -8.1510000000e-04  2.3917000000e-03  3.7637000000e-03 -3.5982000000e-03 -5.8175000000e-03 -3.3995000000e-03  2.9210000000e-03 -5.0370000000e-04 -1.8573000000e-03  1.3415000000e-03  8.0650000000e-03  2.1012000000e-03
+
+JOB 13
+COORDS -4.9871000000e-01 -9.8714600000e-01 -7.2763400000e-01  3.6623200000e-01 -1.1883100000e+00 -1.0849030000e+00 -1.0396110000e+00 -1.7383710000e+00 -9.7118500000e-01  5.2408300000e-01  1.0325500000e+00  8.1645900000e-01  6.4735000000e-02  3.7822300000e-01  2.9006700000e-01  2.0642800000e-01  1.8727320000e+00  4.8567000000e-01
+ENERGY -1.526601651191e+02
+FORCES  6.5040000000e-04 -3.0040000000e-04  2.2269000000e-03 -5.2395000000e-03  1.7620000000e-03  2.6280000000e-03  4.0804000000e-03  2.5664000000e-03 -5.7080000000e-04 -7.6614000000e-03 -6.1379000000e-03 -5.9764000000e-03  7.5228000000e-03  5.0019000000e-03  1.2171000000e-03  6.4720000000e-04 -2.8920000000e-03  4.7530000000e-04
+
+JOB 14
+COORDS -6.6015700000e-01  1.1748230000e+00 -3.9323900000e-01 -1.3545570000e+00  1.1392710000e+00 -1.0510950000e+00 -6.1577300000e-01  2.8517700000e-01 -4.2821000000e-02  6.8197900000e-01 -1.0775880000e+00  4.5390400000e-01  2.0715400000e-01 -1.7067060000e+00 -8.9220000000e-02  1.6028890000e+00 -1.2168800000e+00  2.3310100000e-01
+ENERGY -1.526554649562e+02
+FORCES  4.4194000000e-03 -8.1294000000e-03  3.4755000000e-03  3.3466000000e-03 -2.2806000000e-03  2.4053000000e-03 -7.5928000000e-03  2.5178000000e-03 -4.2090000000e-03  4.3007000000e-03  3.0571000000e-03 -5.0337000000e-03 -2.6650000000e-04  6.4224000000e-03  2.0994000000e-03 -4.2074000000e-03 -1.5874000000e-03  1.2624000000e-03
+
+JOB 15
+COORDS  8.0672300000e-01  1.7246300000e-01  1.0513210000e+00  3.8868700000e-01  7.1470900000e-01  1.7202350000e+00  1.6850840000e+00  5.4122800000e-01  9.5790100000e-01 -9.0820300000e-01 -2.4514200000e-01 -1.1008750000e+00 -4.6916400000e-01 -1.8296600000e-01 -2.5257600000e-01 -2.2552400000e-01 -4.0835000000e-02 -1.7399680000e+00
+ENERGY -1.526595402182e+02
+FORCES  5.7200000000e-04  2.9278000000e-03 -2.5605000000e-03  1.9441000000e-03 -2.7816000000e-03 -4.3386000000e-03 -4.2904000000e-03 -1.1212000000e-03  1.3336000000e-03  1.1668200000e-02  2.2351000000e-03  8.5280000000e-03 -7.9789000000e-03 -8.1030000000e-04 -3.7742000000e-03 -1.9150000000e-03 -4.4980000000e-04  8.1160000000e-04
+
+JOB 16
+COORDS  4.1979500000e-01  4.9501000000e-02  1.3512200000e+00  7.5460500000e-01  8.8944800000e-01  1.6652630000e+00  3.2214000000e-02  2.4911200000e-01  4.9906500000e-01 -4.5770100000e-01 -7.6274000000e-02 -1.2812970000e+00  2.5035400000e-01  2.8397900000e-01 -1.8152520000e+00 -4.4240700000e-01 -1.0156380000e+00 -1.4645790000e+00
+ENERGY -1.526607859387e+02
+FORCES -4.7242000000e-03  1.5043000000e-03 -1.0687100000e-02 -1.1222000000e-03 -2.1827000000e-03 -3.0608000000e-03  4.8001000000e-03  1.7563000000e-03  1.0105600000e-02  4.0903000000e-03 -4.7258000000e-03  1.2760000000e-04 -3.2395000000e-03 -1.5253000000e-03  3.7214000000e-03  1.9550000000e-04  5.1732000000e-03 -2.0680000000e-04
+
+JOB 17
+COORDS -3.6654100000e-01 -7.5210800000e-01 -1.1778690000e+00  1.4821200000e-01 -3.6496200000e-01 -4.6978800000e-01 -8.3924700000e-01 -1.3863000000e-02 -1.5622850000e+00  3.0569600000e-01  6.5615000000e-01  1.1526430000e+00  5.4042500000e-01  1.5639720000e+00  9.6030800000e-01  1.1225350000e+00  2.5469900000e-01  1.4490280000e+00
+ENERGY -1.526576870686e+02
+FORCES  3.1930000000e-04  9.6677000000e-03  1.0988100000e-02  2.8117000000e-03 -5.6034000000e-03 -7.0144000000e-03  1.4673000000e-03 -1.9450000000e-03  2.2120000000e-04  1.5722000000e-03  1.9823000000e-03  7.5060000000e-04 -1.3351000000e-03 -5.4369000000e-03 -1.8620000000e-04 -4.8355000000e-03  1.3353000000e-03 -4.7593000000e-03
+
+JOB 18
+COORDS -8.8953400000e-01  1.0042670000e+00  7.0695000000e-02 -9.5117200000e-01  1.9582090000e+00  2.1417000000e-02 -1.3768420000e+00  7.7281800000e-01  8.6138700000e-01  9.1885300000e-01 -1.1045450000e+00 -7.7018000000e-02  3.9423000000e-01 -3.1317400000e-01  4.4367000000e-02  1.4922370000e+00 -9.0135000000e-01 -8.1605400000e-01
+ENERGY -1.526604045614e+02
+FORCES  4.4390000000e-04  6.7320000000e-04  1.5125000000e-03 -9.8090000000e-04 -4.6061000000e-03  7.4500000000e-04  3.9729000000e-03  1.4210000000e-03 -4.1659000000e-03 -6.0136000000e-03  1.0886200000e-02 -2.8121000000e-03  3.9714000000e-03 -8.1216000000e-03  2.6709000000e-03 -1.3936000000e-03 -2.5260000000e-04  2.0495000000e-03
+
+JOB 19
+COORDS -4.8773200000e-01  1.1709510000e+00 -7.1083500000e-01 -6.8513000000e-02  1.7024830000e+00 -3.4108000000e-02 -3.2978600000e-01  2.6709500000e-01 -4.3820100000e-01  4.3556300000e-01 -1.1479190000e+00  5.9420200000e-01  1.1711100000e+00 -6.9936500000e-01  1.0113360000e+00  5.1784000000e-02 -1.6793630000e+00  1.2917070000e+00
+ENERGY -1.526593254265e+02
+FORCES  3.6350000000e-03 -9.5447000000e-03  7.5550000000e-03 -3.1280000000e-04 -1.4312000000e-03 -1.7067000000e-03 -1.4996000000e-03  7.7635000000e-03 -4.4679000000e-03  1.4780000000e-04  1.3143000000e-03  3.2250000000e-03 -4.8773000000e-03 -1.0543000000e-03 -1.8576000000e-03  2.9067000000e-03  2.9524000000e-03 -2.7478000000e-03
+
+JOB 20
+COORDS -3.7090000000e-03 -1.4229670000e+00 -2.5139700000e-01  2.1611700000e-01 -5.0136100000e-01 -1.1520000000e-01  6.9538100000e-01 -1.9043600000e+00  1.9105600000e-01 -9.2849000000e-02  1.3486870000e+00  2.2433100000e-01  5.2142800000e-01  1.6377540000e+00  8.9911800000e-01  8.8228000000e-02  1.9169330000e+00 -5.2436100000e-01
+ENERGY -1.526597926556e+02
+FORCES  6.3970000000e-04  1.0482700000e-02  2.8166000000e-03  3.1058000000e-03 -1.0704800000e-02 -1.7721000000e-03 -1.8593000000e-03  3.1863000000e-03 -7.2850000000e-04  6.2430000000e-04  3.2704000000e-03 -3.7230000000e-04 -2.3228000000e-03 -2.9047000000e-03 -4.3023000000e-03 -1.8770000000e-04 -3.3301000000e-03  4.3585000000e-03
+
+JOB 21
+COORDS  1.4054180000e+00 -2.1712400000e-01 -1.3345700000e-01  2.0536110000e+00  1.1584400000e-01  4.8719500000e-01  7.8217800000e-01  5.0176500000e-01 -2.3835100000e-01 -1.3462350000e+00  1.3859400000e-01  1.1073800000e-01 -2.1310630000e+00 -4.0906600000e-01  1.2929500000e-01 -1.6746790000e+00  1.0232950000e+00 -4.9454000000e-02
+ENERGY -1.526535083738e+02
+FORCES -7.5877000000e-03  2.9512000000e-03  2.6580000000e-03 -3.2907000000e-03 -1.0226000000e-03 -1.9540000000e-03  5.8843000000e-03  1.9680000000e-03 -1.1690000000e-03 -2.6610000000e-03 -3.2184000000e-03 -2.0080000000e-04  2.8527000000e-03  3.1999000000e-03  2.6370000000e-04  4.8024000000e-03 -3.8780000000e-03  4.0210000000e-04
+
+JOB 22
+COORDS -1.1074900000e-01  1.3422500000e+00 -5.9796300000e-01 -3.9340600000e-01  4.5417500000e-01 -3.7965400000e-01  8.3159500000e-01  1.3422820000e+00 -4.2997900000e-01  3.8836000000e-02 -1.2505240000e+00  5.6401000000e-01 -1.5121500000e-01 -2.0161680000e+00  1.1061380000e+00  9.4086200000e-01 -1.3813880000e+00  2.7168200000e-01
+ENERGY -1.526583085321e+02
+FORCES  1.3627000000e-03 -8.9594000000e-03  6.0588000000e-03  1.3129000000e-03  6.0749000000e-03 -4.6362000000e-03 -1.9457000000e-03 -3.8400000000e-04 -1.2886000000e-03  1.3915000000e-03 -1.7412000000e-03  1.0908000000e-03  2.3638000000e-03  3.1359000000e-03 -2.5013000000e-03 -4.4852000000e-03  1.8738000000e-03  1.2764000000e-03
+
+JOB 23
+COORDS -2.3880000000e-03 -1.2024730000e+00 -6.8900200000e-01 -5.0757500000e-01 -1.2730480000e+00 -1.4989630000e+00 -4.1243300000e-01 -1.8310400000e+00 -9.4866000000e-02 -1.8290000000e-03  1.2564990000e+00  7.3847400000e-01  2.4782700000e-01  4.5437600000e-01  2.7967000000e-01  7.2104900000e-01  1.8619820000e+00  5.7394900000e-01
+ENERGY -1.526615637945e+02
+FORCES -5.1926000000e-03 -2.3330000000e-04 -7.7980000000e-04  2.2375000000e-03 -1.1315000000e-03  3.8170000000e-03  1.8636000000e-03  3.2553000000e-03 -3.3148000000e-03  2.3150000000e-03 -7.5626000000e-03 -6.0693000000e-03  8.7830000000e-04  8.3621000000e-03  6.8081000000e-03 -2.1019000000e-03 -2.6900000000e-03 -4.6120000000e-04
+
+JOB 24
+COORDS  1.3112310000e+00  5.9452500000e-01  2.3403200000e-01  1.5894640000e+00  1.7320500000e-01 -5.7917700000e-01  6.5533300000e-01  1.2355610000e+00 -4.0015000000e-02 -1.3424810000e+00 -6.0526900000e-01 -1.3317300000e-01 -1.0515830000e+00 -2.4750000000e-02 -8.3645700000e-01 -6.5051700000e-01 -1.2629320000e+00 -6.3186000000e-02
+ENERGY -1.526504657095e+02
+FORCES -5.1458000000e-03  1.1137000000e-03 -2.6169000000e-03 -3.5154000000e-03  3.6100000000e-04  3.5322000000e-03  2.4730000000e-03 -3.1176000000e-03 -1.4358000000e-03  1.0237800000e-02  6.5060000000e-04  5.9540000000e-04 -1.9700000000e-05  4.8760000000e-04  2.1270000000e-03 -4.0298000000e-03  5.0460000000e-04 -2.2019000000e-03
+
+JOB 25
+COORDS -5.4022100000e-01  8.9645600000e-01  1.0352160000e+00 -7.1553300000e-01  7.0615800000e-01  1.1365000000e-01  1.5852000000e-01  1.5504010000e+00  1.0165240000e+00  5.2642100000e-01 -8.6583900000e-01 -9.3874100000e-01  9.7538000000e-02 -9.3542500000e-01 -1.7916470000e+00  7.1560600000e-01 -1.7707810000e+00 -6.9070900000e-01
+ENERGY -1.526551064507e+02
+FORCES  6.5006000000e-03 -4.1761000000e-03 -8.4951000000e-03 -4.0207000000e-03  4.6006000000e-03  2.4688000000e-03 -2.6495000000e-03 -1.5274000000e-03  7.3820000000e-04  1.0360000000e-04 -4.8407000000e-03  2.4872000000e-03  4.3530000000e-04  2.2455000000e-03  5.3364000000e-03 -3.6930000000e-04  3.6982000000e-03 -2.5354000000e-03
+
+JOB 26
+COORDS -2.1205600000e-01 -1.4749000000e+00  6.1102000000e-02 -6.1332200000e-01 -1.7730440000e+00 -7.5518700000e-01 -1.1113700000e-01 -5.2981200000e-01 -5.2280000000e-02  2.1473900000e-01  1.3786640000e+00 -2.7396000000e-02  5.9650700000e-01  1.6024870000e+00  8.2136000000e-01  1.1321200000e-01  2.2191680000e+00 -4.7402700000e-01
+ENERGY -1.526612784853e+02
+FORCES -1.9410000000e-04  8.9101000000e-03 -3.8452000000e-03  1.1140000000e-03  1.1419000000e-03  2.1998000000e-03 -4.0150000000e-04 -9.1627000000e-03  2.4518000000e-03  3.8900000000e-04  2.4221000000e-03  6.9300000000e-04 -2.0478000000e-03 -5.4690000000e-04 -4.6312000000e-03  1.1405000000e-03 -2.7645000000e-03  3.1319000000e-03
+
+JOB 27
+COORDS -5.1431600000e-01 -1.3945340000e+00  3.9460000000e-03 -2.4259100000e-01 -1.7343790000e+00  8.5653200000e-01  7.1747000000e-02 -6.5515600000e-01 -1.5755100000e-01  5.1765600000e-01  1.3314700000e+00 -2.3100000000e-04  6.5153400000e-01  1.7462280000e+00 -8.5245400000e-01 -3.2663400000e-01  1.6677240000e+00  3.0033300000e-01
+ENERGY -1.526612877664e+02
+FORCES  6.3832000000e-03  7.5852000000e-03  2.1540000000e-03 -1.2233000000e-03  1.4103000000e-03 -2.4731000000e-03 -4.1867000000e-03 -8.9625000000e-03 -9.3390000000e-04 -4.4797000000e-03  3.9068000000e-03 -9.4730000000e-04 -1.2512000000e-03 -2.7363000000e-03  4.0047000000e-03  4.7577000000e-03 -1.2034000000e-03 -1.8043000000e-03
+
+JOB 28
+COORDS  1.2119600000e-01 -3.1295900000e-01 -1.4771360000e+00  1.1948400000e-01  6.1564000000e-02 -5.9624900000e-01  9.4483400000e-01 -1.4800000000e-02 -1.8630800000e+00 -1.1227100000e-01  3.0173400000e-01  1.4232930000e+00 -1.0227570000e+00  4.7271300000e-01  1.1824330000e+00 -1.6711800000e-01 -3.5216300000e-01  2.1201730000e+00
+ENERGY -1.526600699832e+02
+FORCES  4.0516000000e-03  2.3825000000e-03  7.2995000000e-03 -3.8899000000e-03  4.9030000000e-04 -9.0380000000e-03 -2.5848000000e-03 -1.0096000000e-03  1.5166000000e-03 -3.2849000000e-03 -4.2147000000e-03  3.9422000000e-03  6.3425000000e-03 -1.5066000000e-03 -1.4178000000e-03 -6.3450000000e-04  3.8581000000e-03 -2.3026000000e-03
+
+JOB 29
+COORDS -1.0367900000e-01  7.0832000000e-02 -1.5512750000e+00  4.1740400000e-01  6.2770000000e-03 -7.5093900000e-01 -1.0110140000e+00  8.2757000000e-02 -1.2465890000e+00  8.8477000000e-02 -4.6335000000e-02  1.4270620000e+00  4.2277100000e-01 -9.1655200000e-01  1.6443230000e+00  3.4343800000e-01  5.0101400000e-01  2.1697830000e+00
+ENERGY -1.526597276732e+02
+FORCES -2.0892000000e-03  1.0778000000e-03  1.0576200000e-02  1.2580000000e-03 -1.9675000000e-03 -7.0840000000e-03  1.7268000000e-03 -3.4030000000e-04 -3.2892000000e-03  1.3163000000e-03 -2.7680000000e-04  4.9960000000e-03 -1.0221000000e-03  4.7765000000e-03 -2.1155000000e-03 -1.1899000000e-03 -3.2698000000e-03 -3.0834000000e-03
+
+JOB 30
+COORDS -1.1857780000e+00 -2.7826500000e-01  8.0573500000e-01 -1.4257170000e+00  5.0063500000e-01  1.3077080000e+00 -2.0139500000e+00 -7.3669300000e-01  6.6358300000e-01  1.2478250000e+00  2.4767400000e-01 -8.9459700000e-01  1.9916560000e+00  4.2938500000e-01 -3.2020300000e-01  4.8649100000e-01  2.6707500000e-01 -3.1474700000e-01
+ENERGY -1.526602334892e+02
+FORCES -5.8557000000e-03 -1.4195000000e-03  3.7140000000e-04  2.1933000000e-03 -3.4649000000e-03 -3.1331000000e-03  2.9924000000e-03  2.7391000000e-03  2.1039000000e-03 -4.5556000000e-03 -1.9356000000e-03  6.2117000000e-03 -2.8304000000e-03 -2.2980000000e-04 -1.4996000000e-03  8.0560000000e-03  4.3107000000e-03 -4.0544000000e-03
+
+JOB 31
+COORDS -1.0986980000e+00 -9.1212100000e-01 -5.9659200000e-01 -9.1838200000e-01 -1.8486270000e+00 -5.1489400000e-01 -4.4402800000e-01 -4.9211300000e-01 -3.8711000000e-02  1.0361870000e+00  8.7763500000e-01  5.6414000000e-01  1.9099670000e+00  1.2681850000e+00  5.7862800000e-01  4.4198100000e-01  1.6223130000e+00  4.7136200000e-01
+ENERGY -1.526601140338e+02
+FORCES  7.1079000000e-03 -1.7610000000e-04  3.4214000000e-03 -5.0960000000e-04  2.9374000000e-03 -3.5670000000e-04 -8.2951000000e-03 -2.1800000000e-03 -2.5000000000e-03  3.0855000000e-03  4.4013000000e-03 -1.3726000000e-03 -4.0363000000e-03 -2.7000000000e-04  2.6140000000e-04  2.6475000000e-03 -4.7126000000e-03  5.4650000000e-04
+
+JOB 32
+COORDS -1.0482900000e+00  1.0693560000e+00  7.9591000000e-02 -1.9409900000e+00  7.2678500000e-01  1.2390900000e-01 -9.2723800000e-01  1.3054920000e+00 -8.4009300000e-01  1.1650270000e+00 -1.0466630000e+00 -3.1802000000e-02  4.4575400000e-01 -5.8392900000e-01  3.9803100000e-01  7.4988300000e-01 -1.8025240000e+00 -4.4720700000e-01
+ENERGY -1.526593263067e+02
+FORCES -2.7395000000e-03  2.2113000000e-03 -5.5313000000e-03  4.9294000000e-03  2.8900000000e-04 -3.6690000000e-04 -1.9003000000e-03 -1.1293000000e-03  4.4816000000e-03 -7.2640000000e-03  2.7180000000e-03  1.0589000000e-03  5.8865000000e-03 -6.9345000000e-03 -7.1720000000e-04  1.0879000000e-03  2.8455000000e-03  1.0749000000e-03
+
+JOB 33
+COORDS  6.6977300000e-01  8.0078000000e-02 -1.3273730000e+00  1.6000280000e+00 -1.3617100000e-01 -1.2633850000e+00  6.4485900000e-01  8.7963900000e-01 -1.8530270000e+00 -7.7549500000e-01 -9.2977000000e-02  1.3659350000e+00 -3.9107900000e-01 -1.7945100000e-01  4.9359500000e-01 -8.7812000000e-02 -3.9014100000e-01  1.9617680000e+00
+ENERGY -1.526607243660e+02
+FORCES  3.5382000000e-03  3.8402000000e-03 -3.0866000000e-03 -4.3988000000e-03  1.2334000000e-03  1.9340000000e-04  1.2135000000e-03 -4.0488000000e-03  1.8558000000e-03  5.6740000000e-03 -7.0410000000e-04 -5.9740000000e-03 -4.2038000000e-03 -1.2472000000e-03  9.0525000000e-03 -1.8232000000e-03  9.2640000000e-04 -2.0411000000e-03
+
+JOB 34
+COORDS  1.3885700000e-01 -7.5852300000e-01 -1.4464000000e+00  2.1843200000e-01  9.9831000000e-02 -1.8624850000e+00 -4.0080000000e-02 -5.6363400000e-01 -5.2649100000e-01 -1.5297100000e-01  6.3483500000e-01  1.4310340000e+00 -6.5428500000e-01  1.3852240000e+00  1.1119210000e+00  7.4275000000e-01  9.6214300000e-01  1.5134080000e+00
+ENERGY -1.526593237799e+02
+FORCES -1.0256000000e-03  4.7098000000e-03  5.8361000000e-03 -2.0430000000e-04 -2.5510000000e-03  1.3862000000e-03  1.1904000000e-03 -2.6673000000e-03 -8.8033000000e-03  1.7075000000e-03  6.2924000000e-03  2.8786000000e-03  3.0591000000e-03 -4.2338000000e-03  9.5800000000e-05 -4.7271000000e-03 -1.5501000000e-03 -1.3933000000e-03
+
+JOB 35
+COORDS -1.3981790000e+00  8.6828300000e-01  6.0515000000e-02 -7.9742800000e-01  1.4163740000e+00  5.6541700000e-01 -9.0818000000e-01  6.2351000000e-02 -1.0260300000e-01  1.2849730000e+00 -8.8267100000e-01 -9.6128000000e-02  1.6505990000e+00 -7.8373700000e-01  7.8294000000e-01  1.8634650000e+00 -3.6518500000e-01 -6.5629400000e-01
+ENERGY -1.526590912748e+02
+FORCES  7.5818000000e-03 -3.6731000000e-03  8.4700000000e-04 -2.2804000000e-03 -7.5510000000e-04 -1.2109000000e-03 -6.5480000000e-03  4.6471000000e-03  5.8790000000e-04  6.2405000000e-03  1.3970000000e-03  7.0820000000e-04 -2.2306000000e-03  5.0100000000e-04 -4.1774000000e-03 -2.7633000000e-03 -2.1169000000e-03  3.2451000000e-03
+
+JOB 36
+COORDS -6.4753700000e-01  1.4230960000e+00  1.6424000000e-02 -1.5074730000e+00  1.0121210000e+00  1.0497200000e-01 -6.7426400000e-01  1.8538920000e+00 -8.3793700000e-01  6.9141500000e-01 -1.4674750000e+00  8.1382000000e-02  9.7877800000e-01 -1.7133390000e+00 -7.9793800000e-01  5.5194500000e-01 -5.2174700000e-01  3.2614000000e-02
+ENERGY -1.526602510347e+02
+FORCES -6.2831000000e-03  2.5425000000e-03 -2.3770000000e-03  4.7036000000e-03  2.1001000000e-03 -1.0521000000e-03  3.1640000000e-04 -2.7628000000e-03  3.7451000000e-03 -7.2500000000e-05  6.3073000000e-03 -2.7446000000e-03 -1.3041000000e-03  1.1164000000e-03  2.8191000000e-03  2.6397000000e-03 -9.3035000000e-03 -3.9050000000e-04
+
+JOB 37
+COORDS -4.9925000000e-02 -1.2897360000e+00 -8.9781000000e-01 -9.4063200000e-01 -1.2758570000e+00 -5.4755500000e-01 -1.6594200000e-01 -1.3284020000e+00 -1.8471660000e+00  1.6465400000e-01  1.3377030000e+00  9.3978900000e-01  1.5546000000e-01  5.2235700000e-01  4.3843200000e-01 -6.9746500000e-01  1.3744170000e+00  1.3540780000e+00
+ENERGY -1.526581552595e+02
+FORCES -3.6472000000e-03 -2.4974000000e-03 -5.9134000000e-03  5.2733000000e-03  2.6848000000e-03 -1.8610000000e-04 -1.1290000000e-04 -6.3170000000e-04  4.5864000000e-03 -1.3557000000e-03 -5.0744000000e-03 -2.4957000000e-03 -2.8667000000e-03  6.4701000000e-03  6.1328000000e-03  2.7092000000e-03 -9.5140000000e-04 -2.1239000000e-03
+
+JOB 38
+COORDS  1.0158310000e+00 -1.0563580000e+00  6.3606300000e-01  1.9276900000e+00 -1.2557570000e+00  4.2396200000e-01  9.9712700000e-01 -1.0554100000e-01  7.4482500000e-01 -1.0571740000e+00  9.4927900000e-01 -6.5670500000e-01 -1.1206530000e+00  1.7678730000e+00 -1.1487460000e+00 -1.0520070000e+00  1.2207750000e+00  2.6117100000e-01
+ENERGY -1.526525007458e+02
+FORCES  2.3392000000e-03  4.2016000000e-03 -3.2663000000e-03 -3.6574000000e-03  7.1930000000e-04  7.6830000000e-04  1.6150000000e-04 -3.1832000000e-03  2.8995000000e-03 -2.2710000000e-03  3.6616000000e-03  1.3759000000e-03  7.9340000000e-04 -4.0238000000e-03  2.1035000000e-03  2.6343000000e-03 -1.3755000000e-03 -3.8809000000e-03
+
+JOB 39
+COORDS -4.4003600000e-01  6.8606500000e-01 -1.3707960000e+00  4.7344200000e-01  7.5883200000e-01 -1.0942180000e+00 -4.4393500000e-01  1.0064600000e+00 -2.2727740000e+00  3.6427700000e-01 -6.5629700000e-01  1.4461910000e+00  1.1870350000e+00 -5.9277400000e-01  9.6114900000e-01  7.1730000000e-03 -1.5102200000e+00  1.2022160000e+00
+ENERGY -1.526524827618e+02
+FORCES  3.6323000000e-03  2.5276000000e-03 -9.5710000000e-04 -2.2485000000e-03 -1.2749000000e-03 -2.0784000000e-03 -1.2200000000e-04 -1.7308000000e-03  4.2799000000e-03 -3.6130000000e-04 -3.8865000000e-03 -4.0477000000e-03 -3.1606000000e-03  1.4345000000e-03  7.0460000000e-04  2.2601000000e-03  2.9300000000e-03  2.0986000000e-03
+
+JOB 40
+COORDS -5.5898300000e-01  1.1529540000e+00  1.0785560000e+00 -1.4513890000e+00  8.9414300000e-01  1.3084690000e+00 -3.7176700000e-01  6.7649900000e-01  2.6974700000e-01  5.8886100000e-01 -1.0957300000e+00 -9.8465000000e-01  1.2967110000e+00 -8.7599100000e-01 -1.5903680000e+00 -3.6690000000e-03 -1.6455670000e+00 -1.4973090000e+00
+ENERGY -1.526591694068e+02
+FORCES -6.6260000000e-04 -5.7285000000e-03 -3.7817000000e-03  2.8421000000e-03  9.2320000000e-04 -8.9090000000e-04 -3.5154000000e-03  6.6297000000e-03  4.9775000000e-03  2.5894000000e-03 -3.6848000000e-03 -5.2647000000e-03 -3.7279000000e-03 -1.1268000000e-03  2.5317000000e-03  2.4743000000e-03  2.9871000000e-03  2.4280000000e-03
+
+JOB 41
+COORDS -8.9176500000e-01  5.5330000000e-03  1.4062190000e+00 -1.0251650000e+00  4.3960800000e-01  5.6359600000e-01 -1.5658960000e+00  3.7556000000e-01  1.9761840000e+00  9.4688500000e-01 -2.7107000000e-02 -1.3299000000e+00  4.0332600000e-01 -7.7314000000e-01 -1.5832980000e+00  1.2276320000e+00  3.5818800000e-01 -2.1599360000e+00
+ENERGY -1.526557089361e+02
+FORCES -1.3823000000e-03  4.1057000000e-03 -2.0610000000e-03 -2.7382000000e-03 -2.6870000000e-03  4.7383000000e-03  2.8509000000e-03 -1.3220000000e-03 -2.4616000000e-03  1.1651000000e-03 -2.9744000000e-03 -4.8300000000e-03  1.5041000000e-03  4.5081000000e-03  8.3500000000e-04 -1.3995000000e-03 -1.6304000000e-03  3.7793000000e-03
+
+JOB 42
+COORDS -7.0900000000e-02  1.5393690000e+00  8.3537300000e-01  1.0643100000e-01  1.3236000000e+00 -8.0175000000e-02 -1.0142830000e+00  1.4107000000e+00  9.3388100000e-01  1.7709500000e-01 -1.5415330000e+00 -7.8223700000e-01 -3.3103400000e-01 -1.0326730000e+00 -1.5049400000e-01 -4.2451700000e-01 -1.6873050000e+00 -1.5123360000e+00
+ENERGY -1.526548799949e+02
+FORCES -1.6082000000e-03  1.3972000000e-03 -3.6553000000e-03 -2.6159000000e-03  2.8450000000e-04  5.2026000000e-03  4.5002000000e-03 -1.3935000000e-03 -8.7670000000e-04 -4.0067000000e-03 -4.4240000000e-04  1.0926000000e-03  1.1791000000e-03 -1.4554000000e-03 -5.1020000000e-03  2.5515000000e-03  1.6096000000e-03  3.3388000000e-03
+
+JOB 43
+COORDS -5.6770800000e-01  1.4764100000e+00  7.2305200000e-01 -1.4470730000e+00  1.5178880000e+00  3.4724600000e-01  1.4021000000e-02  1.7061530000e+00 -1.5450000000e-03  5.8846700000e-01 -1.5389440000e+00 -6.9973000000e-01  1.6742600000e-01 -1.5766090000e+00  1.5906900000e-01  9.4377000000e-01 -6.5179400000e-01 -7.5411300000e-01
+ENERGY -1.526555964774e+02
+FORCES -2.7818000000e-03  2.8562000000e-03 -4.6164000000e-03  4.0235000000e-03 -1.4670000000e-04  1.9337000000e-03 -1.4342000000e-03 -2.8839000000e-03  2.9941000000e-03 -9.4480000000e-04  4.4602000000e-03  5.4680000000e-03  1.7876000000e-03 -1.9090000000e-03 -4.1160000000e-03 -6.5030000000e-04 -2.3769000000e-03 -1.6635000000e-03
+
+JOB 44
+COORDS -7.3478700000e-01  8.9816000000e-01  1.2432120000e+00 -1.0105600000e-01  1.5709820000e+00  9.9436000000e-01 -1.5679260000e+00  1.3650980000e+00  1.3070890000e+00  7.4483400000e-01 -9.2872100000e-01 -1.2891160000e+00  7.3714500000e-01 -5.6821800000e-01 -4.0243100000e-01  7.6843700000e-01 -1.8771970000e+00 -1.1623590000e+00
+ENERGY -1.526568696951e+02
+FORCES -3.4611000000e-03  5.6671000000e-03 -7.9770000000e-04 -1.9320000000e-03 -4.3681000000e-03  7.0570000000e-04  3.6995000000e-03 -1.3712000000e-03  4.1120000000e-04 -2.0101000000e-03 -2.0464000000e-03  5.6573000000e-03  3.6289000000e-03 -1.2734000000e-03 -5.1958000000e-03  7.4800000000e-05  3.3921000000e-03 -7.8070000000e-04
+
+JOB 45
+COORDS -1.8032600000e-01 -1.2627720000e+00 -1.3317440000e+00  3.4649100000e-01 -1.5569780000e+00 -5.8868300000e-01 -2.6099600000e-01 -3.1688400000e-01 -1.2091840000e+00  1.4700400000e-01  1.1642080000e+00  1.2628890000e+00  8.2171000000e-01  1.7801320000e+00  9.7716000000e-01 -4.0850900000e-01  1.6735290000e+00  1.8529990000e+00
+ENERGY -1.526574923308e+02
+FORCES  1.2331000000e-03  3.9266000000e-03  6.0898000000e-03 -1.3042000000e-03 -4.2640000000e-04 -3.9248000000e-03  5.4760000000e-04 -3.9720000000e-03 -3.5771000000e-03 -3.7300000000e-05  5.4327000000e-03  3.4413000000e-03 -3.2454000000e-03 -3.1138000000e-03  5.1520000000e-04  2.8062000000e-03 -1.8470000000e-03 -2.5443000000e-03
+
+JOB 46
+COORDS  6.7417300000e-01  9.7529600000e-01  1.3580150000e+00  9.5253500000e-01  1.1063700000e-01  1.0561690000e+00  1.4737660000e+00  1.5014200000e+00  1.3493180000e+00 -7.4288300000e-01 -9.3396100000e-01 -1.2724570000e+00 -9.1560600000e-01 -1.7969060000e+00 -1.6489190000e+00 -5.1994600000e-01 -3.8455800000e-01 -2.0239130000e+00
+ENERGY -1.526552495795e+02
+FORCES  3.1592000000e-03 -2.9356000000e-03 -2.0202000000e-03  8.8720000000e-04  4.5312000000e-03  3.1055000000e-03 -3.2404000000e-03 -1.9580000000e-03 -3.5490000000e-04 -1.2285000000e-03 -3.9850000000e-04 -5.4539000000e-03  1.0042000000e-03  3.7176000000e-03  1.8411000000e-03 -5.8170000000e-04 -2.9567000000e-03  2.8823000000e-03
+
+JOB 47
+COORDS  1.3286100000e-01 -1.8364000000e-01 -1.7919550000e+00  8.2865000000e-02  5.4229300000e-01 -1.1700590000e+00  3.7922600000e-01  2.2693500000e-01 -2.6207880000e+00 -1.7296800000e-01  5.5663000000e-02  1.8059970000e+00  5.2800600000e-01  3.4019000000e-01  2.3924360000e+00 -3.1332700000e-01  8.0008700000e-01  1.2208770000e+00
+ENERGY -1.526515150579e+02
+FORCES  9.9090000000e-04  4.1058000000e-03 -7.3510000000e-04 -5.0750000000e-04 -1.4896000000e-03 -1.6155000000e-03 -9.7330000000e-04 -1.9517000000e-03  3.7470000000e-03  2.4265000000e-03  3.6264000000e-03  1.0318000000e-03 -3.2191000000e-03 -1.2019000000e-03 -2.5618000000e-03  1.2824000000e-03 -3.0889000000e-03  1.3350000000e-04
+
+JOB 48
+COORDS  5.5087600000e-01 -1.4998210000e+00  9.4008300000e-01  3.2710100000e-01 -7.1050200000e-01  4.4700000000e-01  5.7040000000e-03 -1.4547220000e+00  1.7255680000e+00 -4.5830900000e-01  1.4701230000e+00 -9.1134900000e-01 -4.4822200000e-01  1.5463900000e+00 -1.8654520000e+00 -1.3425390000e+00  1.1677730000e+00 -7.0410000000e-01
+ENERGY -1.526575774581e+02
+FORCES -1.9590000000e-03  5.0366000000e-03  3.8620000000e-04 -4.7000000000e-05 -6.5955000000e-03  3.9287000000e-03  1.5991000000e-03 -2.2530000000e-04 -3.1715000000e-03 -4.0353000000e-03  1.7881000000e-03 -5.5142000000e-03 -5.0510000000e-04 -1.0210000000e-04  4.3551000000e-03  4.9473000000e-03  9.8200000000e-05  1.5800000000e-05
+
+JOB 49
+COORDS  3.4770100000e-01  8.4620000000e-01 -1.5007010000e+00  2.0817900000e-01  1.1917530000e+00 -2.3823800000e+00  6.2618100000e-01  1.6043980000e+00 -9.8706900000e-01 -4.1759000000e-01 -9.0060100000e-01  1.5536630000e+00 -1.4810600000e-01 -6.8993100000e-01  6.5966700000e-01  3.4520700000e-01 -1.3318020000e+00  1.9389400000e+00
+ENERGY -1.526581898572e+02
+FORCES -1.3900000000e-05  5.5244000000e-03 -3.5566000000e-03  1.0208000000e-03 -7.5830000000e-04  3.7501000000e-03 -9.9190000000e-04 -3.8602000000e-03 -2.1918000000e-03  3.6889000000e-03 -9.5210000000e-04 -3.8931000000e-03 -9.1770000000e-04 -1.7754000000e-03  7.1741000000e-03 -2.7862000000e-03  1.8215000000e-03 -1.2828000000e-03
+
+JOB 50
+COORDS  4.0810300000e-01  1.0027560000e+00 -1.4659360000e+00  1.1219000000e-02  1.8285770000e+00 -1.7429470000e+00 -3.3358100000e-01  4.1188100000e-01 -1.3355370000e+00 -3.0551000000e-01 -9.7252100000e-01  1.5043550000e+00 -1.2498280000e+00 -8.8759900000e-01  1.3728840000e+00 -8.1116000000e-02 -1.8100560000e+00  1.0988750000e+00
+ENERGY -1.526530284942e+02
+FORCES -4.4383000000e-03  6.7080000000e-04  1.1628000000e-03  1.5073000000e-03 -3.4011000000e-03  1.1804000000e-03  2.1818000000e-03  2.1666000000e-03 -2.2358000000e-03 -1.8331000000e-03 -3.3590000000e-03 -7.9800000000e-04  4.0930000000e-03  1.1310000000e-04 -6.3930000000e-04 -1.5107000000e-03  3.8096000000e-03  1.3300000000e-03
+
+JOB 51
+COORDS -1.5497190000e+00 -1.1041120000e+00 -2.7968100000e-01 -9.5325200000e-01 -1.0246520000e+00 -1.0240910000e+00 -1.3031060000e+00 -3.8598400000e-01  3.0316200000e-01  1.4904090000e+00  1.1246370000e+00  2.8876000000e-01  1.5581340000e+00  5.1887300000e-01 -4.4927500000e-01  1.5679440000e+00  5.6826300000e-01  1.0637880000e+00
+ENERGY -1.526550048142e+02
+FORCES  2.5958000000e-03  4.7532000000e-03 -8.8120000000e-04 -1.4281000000e-03 -9.2460000000e-04  3.0171000000e-03 -1.2392000000e-03 -4.6124000000e-03 -1.9585000000e-03  3.3283000000e-03 -4.2343000000e-03  5.1490000000e-04 -1.8745000000e-03  2.4178000000e-03  2.9689000000e-03 -1.3823000000e-03  2.6002000000e-03 -3.6612000000e-03
+
+JOB 52
+COORDS  6.2356300000e-01 -6.2590700000e-01 -1.6034270000e+00  8.2921500000e-01  2.5478900000e-01 -1.2898760000e+00  1.2432790000e+00 -7.7738800000e-01 -2.3170360000e+00 -6.8283500000e-01  6.2738400000e-01  1.6711800000e+00 -2.0616800000e-01  6.8368200000e-01  8.4301800000e-01 -1.0126870000e+00 -2.7079700000e-01  1.6976490000e+00
+ENERGY -1.526541998503e+02
+FORCES  4.6307000000e-03  2.4320000000e-03 -3.8919000000e-03 -2.3988000000e-03 -3.8329000000e-03  1.4334000000e-03 -2.8184000000e-03  6.5560000000e-04  3.0020000000e-03  9.5100000000e-05 -5.2042000000e-03 -3.7459000000e-03 -4.6360000000e-04  1.8386000000e-03  2.2068000000e-03  9.5500000000e-04  4.1109000000e-03  9.9550000000e-04
+
+JOB 53
+COORDS  2.3264500000e-01  1.7839690000e+00 -5.0525600000e-01  8.0969200000e-01  1.0471870000e+00 -3.0425900000e-01  6.5479900000e-01  2.2253140000e+00 -1.2422990000e+00 -2.2365000000e-01 -1.7778680000e+00  5.3101100000e-01 -7.5589500000e-01 -1.1716490000e+00  1.5797000000e-02 -8.4436900000e-01 -2.1926020000e+00  1.1301230000e+00
+ENERGY -1.526570773918e+02
+FORCES  5.3336000000e-03 -3.4640000000e-04 -1.6404000000e-03 -3.6882000000e-03  3.7151000000e-03 -2.0718000000e-03 -1.6953000000e-03 -1.8257000000e-03  3.0515000000e-03 -5.8871000000e-03  3.5320000000e-04  9.0170000000e-04  3.5600000000e-03 -3.2917000000e-03  2.3567000000e-03  2.3770000000e-03  1.3955000000e-03 -2.5977000000e-03
+
+JOB 54
+COORDS -2.4274200000e-01 -1.5843440000e+00 -1.0332780000e+00 -9.9361200000e-01 -1.8221490000e+00 -4.8933500000e-01  2.4932500000e-01 -2.3993460000e+00 -1.1326430000e+00  2.8480400000e-01  1.5905510000e+00  1.0500300000e+00  1.4823000000e-02  1.5165820000e+00  1.3467700000e-01  5.5888000000e-02  2.4868140000e+00  1.2960810000e+00
+ENERGY -1.526556117084e+02
+FORCES -3.7160000000e-04 -4.9497000000e-03  2.6339000000e-03  2.7830000000e-03  9.4970000000e-04 -2.8389000000e-03 -2.2973000000e-03  3.0481000000e-03  2.0340000000e-04 -1.5362000000e-03  2.4948000000e-03 -3.7784000000e-03  5.8640000000e-04  2.1479000000e-03  4.7196000000e-03  8.3580000000e-04 -3.6908000000e-03 -9.3950000000e-04
+
+JOB 55
+COORDS -1.4632070000e+00  1.1760270000e+00 -7.1842800000e-01 -1.4788450000e+00  2.0598360000e+00 -1.0856720000e+00 -5.5396300000e-01  1.0436920000e+00 -4.5011000000e-01  1.3968390000e+00 -1.1523540000e+00  7.3205700000e-01  1.5008250000e+00 -1.7936410000e+00  1.4350300000e+00  1.6157610000e+00 -1.6334430000e+00 -6.5977000000e-02
+ENERGY -1.526563623092e+02
+FORCES  4.3015000000e-03  2.3193000000e-03  7.0170000000e-04  7.6200000000e-05 -3.4667000000e-03  1.3495000000e-03 -4.8250000000e-03  2.0997000000e-03 -2.8027000000e-03  1.1988000000e-03 -5.7832000000e-03  5.5490000000e-04  3.5100000000e-05  2.4081000000e-03 -3.0915000000e-03 -7.8660000000e-04  2.4228000000e-03  3.2882000000e-03
+
+JOB 56
+COORDS  1.4943660000e+00 -1.2677330000e+00 -5.6906200000e-01  7.9740700000e-01 -1.3526310000e+00 -1.2196560000e+00  1.3332870000e+00 -1.9801940000e+00  4.9553000000e-02 -1.4674600000e+00  1.2839420000e+00  5.1304300000e-01 -6.4902600000e-01  1.1062410000e+00  9.7652900000e-01 -1.8928480000e+00  1.9675590000e+00  1.0306760000e+00
+ENERGY -1.526558840784e+02
+FORCES -3.7325000000e-03 -3.6999000000e-03 -1.2722000000e-03  3.5037000000e-03 -1.2450000000e-04  2.7938000000e-03  7.2640000000e-04  3.2437000000e-03 -2.1584000000e-03  2.3708000000e-03  2.2821000000e-03  3.8005000000e-03 -4.6087000000e-03  1.0900000000e-03 -1.1768000000e-03  1.7404000000e-03 -2.7915000000e-03 -1.9870000000e-03
+
+JOB 57
+COORDS  1.2464200000e+00 -3.1625000000e-01 -1.5832720000e+00  1.4843490000e+00 -7.4943500000e-01 -2.4030120000e+00  4.0207900000e-01  9.5994000000e-02 -1.7659590000e+00 -1.2023070000e+00  3.1936700000e-01  1.6988930000e+00 -1.8953170000e+00 -1.1662600000e-01  1.2030310000e+00 -6.5888100000e-01  7.4017100000e-01  1.0326770000e+00
+ENERGY -1.526536496630e+02
+FORCES -1.5343000000e-03 -8.4110000000e-04 -5.1141000000e-03 -1.0999000000e-03  1.8978000000e-03  3.4459000000e-03  2.9922000000e-03 -1.3278000000e-03  2.1585000000e-03  5.3940000000e-04 -7.1080000000e-04 -4.4549000000e-03  2.6338000000e-03  2.0983000000e-03  1.7197000000e-03 -3.5313000000e-03 -1.1163000000e-03  2.2449000000e-03
+
+JOB 58
+COORDS -1.5760050000e+00  1.9057400000e-01  1.3008320000e+00 -8.3198000000e-01  5.8230400000e-01  1.7582230000e+00 -2.3421760000e+00  4.8288600000e-01  1.7945610000e+00  1.5823680000e+00 -2.9728100000e-01 -1.3449280000e+00  1.3525990000e+00  4.0088100000e-01 -7.3173300000e-01  1.6283810000e+00  1.3696000000e-01 -2.1967200000e+00
+ENERGY -1.526534905386e+02
+FORCES -7.1920000000e-04  2.1140000000e-03  4.5048000000e-03 -2.5742000000e-03 -1.1257000000e-03 -2.7665000000e-03  3.2361000000e-03 -1.2382000000e-03 -2.1318000000e-03 -2.0984000000e-03  4.4848000000e-03 -1.0604000000e-03  2.0350000000e-03 -2.4528000000e-03 -1.9194000000e-03  1.2060000000e-04 -1.7821000000e-03  3.3733000000e-03
+
+JOB 59
+COORDS -1.3285990000e+00  1.8854010000e+00  3.2026000000e-02 -9.4247400000e-01  2.0068890000e+00 -8.3537300000e-01 -9.9770100000e-01  1.0364260000e+00  3.2525100000e-01  1.2457380000e+00 -1.7853870000e+00 -2.0149000000e-02  2.1085330000e+00 -1.7691760000e+00  3.9404100000e-01  1.0170080000e+00 -2.7139160000e+00 -6.1956000000e-02
+ENERGY -1.526562761529e+02
+FORCES  3.5146000000e-03 -3.9102000000e-03 -2.4113000000e-03 -1.7694000000e-03  1.3350000000e-04  3.2361000000e-03 -2.2985000000e-03  4.5030000000e-03 -7.6410000000e-04  3.1688000000e-03 -4.4946000000e-03  1.4746000000e-03 -3.6710000000e-03 -1.3220000000e-04 -1.7630000000e-03  1.0556000000e-03  3.9004000000e-03  2.2760000000e-04
+
+JOB 60
+COORDS -1.2493310000e+00  1.4404340000e+00  1.0716810000e+00 -1.1188710000e+00  1.9567840000e+00  1.8670390000e+00 -2.1249670000e+00  1.6819130000e+00  7.6972000000e-01  1.3227780000e+00 -1.5050810000e+00 -1.1471950000e+00  1.2256330000e+00 -6.0290400000e-01 -8.4244900000e-01  7.8974200000e-01 -2.0213400000e+00 -5.4256200000e-01
+ENERGY -1.526560879439e+02
+FORCES -3.6449000000e-03  3.6263000000e-03  2.2107000000e-03 -5.7080000000e-04 -2.1818000000e-03 -3.3411000000e-03  3.6538000000e-03 -9.6440000000e-04  1.4412000000e-03 -3.2792000000e-03  2.3721000000e-03  4.2200000000e-03  1.4699000000e-03 -4.1539000000e-03 -1.9280000000e-03  2.3712000000e-03  1.3017000000e-03 -2.6028000000e-03
+
+JOB 61
+COORDS  2.1982020000e+00  2.7295400000e-01  6.4876000000e-01  1.7636310000e+00  1.0685700000e+00  3.4155500000e-01  2.7930350000e+00  3.4580000000e-02 -6.2284000000e-02 -2.2651220000e+00 -2.8974900000e-01 -6.0390100000e-01 -1.4886300000e+00  2.6967500000e-01 -6.2223600000e-01 -1.9431720000e+00 -1.1371800000e+00 -2.9658800000e-01
+ENERGY -1.526544651837e+02
+FORCES  2.1373000000e-03  2.7092000000e-03 -3.7022000000e-03  8.5760000000e-04 -3.9033000000e-03  9.3910000000e-04 -2.8407000000e-03  9.6670000000e-04  2.9699000000e-03  4.8140000000e-03 -1.6666000000e-03  1.7950000000e-03 -3.1762000000e-03 -1.4905000000e-03 -3.9680000000e-04 -1.7921000000e-03  3.3845000000e-03 -1.6050000000e-03
+
+JOB 62
+COORDS -1.1633600000e+00  5.9754600000e-01  1.9643270000e+00 -1.1316050000e+00 -3.5886400000e-01  1.9419170000e+00 -2.0966070000e+00  8.0571100000e-01  2.0084860000e+00  1.1950440000e+00 -4.9262600000e-01 -1.9734320000e+00  2.0295670000e+00 -8.9044500000e-01 -2.2215100000e+00  6.9827500000e-01 -1.2065450000e+00 -1.5737180000e+00
+ENERGY -1.526531894774e+02
+FORCES -3.6505000000e-03 -2.6595000000e-03 -7.3700000000e-05 -5.0500000000e-05  3.6288000000e-03 -1.0830000000e-04  3.8545000000e-03 -9.4960000000e-04 -9.7900000000e-05  1.4021000000e-03 -4.1770000000e-03  9.5670000000e-04 -3.4625000000e-03  1.6106000000e-03  9.8590000000e-04  1.9069000000e-03  2.5468000000e-03 -1.6626000000e-03
+
+JOB 63
+COORDS  3.4621200000e-01  6.2144800000e-01  2.3385760000e+00  3.4223200000e-01 -1.8621500000e-01  2.8522850000e+00  5.0971300000e-01  3.3377600000e-01  1.4403870000e+00 -3.7822000000e-01 -5.3662300000e-01 -2.3821430000e+00 -9.0706000000e-01 -5.6199300000e-01 -1.5847000000e+00  4.7748100000e-01 -8.7094200000e-01 -2.1133700000e+00
+ENERGY -1.526532124145e+02
+FORCES  1.0280000000e-03 -4.0965000000e-03 -9.9370000000e-04 -6.2900000000e-05  3.3509000000e-03 -2.4683000000e-03 -1.1184000000e-03  6.3020000000e-04  3.3453000000e-03  8.3980000000e-04 -1.5931000000e-03  3.4676000000e-03  2.9970000000e-03  8.5100000000e-05 -2.9200000000e-03 -3.6834000000e-03  1.6234000000e-03 -4.3100000000e-04
+
+JOB 64
+COORDS  3.5112300000e-01  1.7441600000e+00  1.5631420000e+00  8.1248600000e-01  1.3026620000e+00  2.2762030000e+00  2.9371400000e-01  2.6575320000e+00  1.8436530000e+00 -3.5037800000e-01 -1.7857820000e+00 -1.6810290000e+00 -9.0416100000e-01 -1.0394270000e+00 -1.4518770000e+00 -2.3194200000e-01 -2.2586160000e+00 -8.5723800000e-01
+ENERGY -1.526548624813e+02
+FORCES  2.0993000000e-03  2.4088000000e-03  4.0881000000e-03 -2.1111000000e-03  1.6354000000e-03 -2.9139000000e-03  2.0160000000e-04 -3.8102000000e-03 -1.0686000000e-03 -1.5467000000e-03  2.0552000000e-03  4.7138000000e-03  1.7913000000e-03 -3.6626000000e-03 -1.4871000000e-03 -4.3430000000e-04  1.3734000000e-03 -3.3324000000e-03
+
+JOB 65
+COORDS  6.1770500000e-01 -2.0504510000e+00  1.0443320000e+00  4.9151400000e-01 -2.3285250000e+00  1.9515150000e+00  6.7353700000e-01 -2.8673090000e+00  5.4849100000e-01 -6.2810900000e-01  2.0615690000e+00 -1.0368250000e+00 -3.2589700000e-01  2.9017910000e+00 -6.9197000000e-01 -6.5818900000e-01  2.1882070000e+00 -1.9851340000e+00
+ENERGY -1.526529754213e+02
+FORCES -6.6170000000e-04 -4.1567000000e-03  1.4774000000e-03  6.3440000000e-04  1.1309000000e-03 -3.6489000000e-03 -1.1720000000e-04  3.2671000000e-03  2.0250000000e-03  1.5110000000e-03  3.5647000000e-03 -2.2321000000e-03 -1.3790000000e-03 -3.3028000000e-03 -1.4273000000e-03  1.2500000000e-05 -5.0310000000e-04  3.8059000000e-03
+
+JOB 66
+COORDS  3.6105800000e-01 -4.0765600000e-01  2.3387870000e+00  4.0303900000e-01  3.7124100000e-01  2.8935760000e+00 -8.7553000000e-02 -1.0608540000e+00  2.8757340000e+00 -3.0300300000e-01  3.4660900000e-01 -2.4369440000e+00 -1.0857140000e+00  3.7803400000e-01 -1.8868450000e+00 -4.8699000000e-02  1.2630560000e+00 -2.5450490000e+00
+ENERGY -1.526538828320e+02
+FORCES -1.2365000000e-03  1.6570000000e-04  4.6025000000e-03 -3.2390000000e-04 -3.0893000000e-03 -2.4411000000e-03  1.7272000000e-03  2.8111000000e-03 -2.2478000000e-03 -1.7842000000e-03  3.5816000000e-03  2.8297000000e-03  2.7109000000e-03  7.2600000000e-05 -2.8960000000e-03 -1.0934000000e-03 -3.5417000000e-03  1.5270000000e-04
+
+JOB 67
+COORDS  9.4004400000e-01  2.3842060000e+00 -1.4667000000e-01  4.0240100000e-01  1.6736850000e+00 -4.9643100000e-01  7.4782400000e-01  3.1316760000e+00 -7.1286100000e-01 -9.0368100000e-01 -2.4389700000e+00  1.5169100000e-01 -2.2204300000e-01 -1.7707300000e+00  2.2279900000e-01 -1.4821270000e+00 -2.2718700000e+00  8.9580800000e-01
+ENERGY -1.526541500502e+02
+FORCES -2.9425000000e-03  8.2400000000e-04 -4.2354000000e-03  2.3500000000e-03  2.2531000000e-03  2.0712000000e-03  8.0340000000e-04 -3.0907000000e-03  2.4151000000e-03  6.5450000000e-04  2.7735000000e-03  3.9593000000e-03 -3.1880000000e-03 -2.1807000000e-03 -9.1910000000e-04  2.3226000000e-03 -5.7920000000e-04 -3.2911000000e-03
+
+JOB 68
+COORDS -4.7353300000e-01  2.4887070000e+00 -7.3035000000e-02 -5.0348800000e-01  3.4454300000e+00 -6.9119000000e-02 -9.6934800000e-01  2.2298970000e+00  7.0376400000e-01  4.7968000000e-01 -2.5819150000e+00  6.0940000000e-03  1.3223270000e+00 -2.1389240000e+00 -9.3591000000e-02 -1.0316000000e-02 -2.0310390000e+00  6.1656200000e-01
+ENERGY -1.526542716471e+02
+FORCES -2.4301000000e-03  3.4106000000e-03  2.8337000000e-03  1.2650000000e-04 -3.9786000000e-03  6.1800000000e-05  2.3133000000e-03  6.1120000000e-04 -3.0612000000e-03  1.4839000000e-03  4.6829000000e-03  1.5803000000e-03 -3.2595000000e-03 -2.2439000000e-03  6.2470000000e-04  1.7658000000e-03 -2.4822000000e-03 -2.0393000000e-03
+
+JOB 69
+COORDS -7.7793300000e-01 -1.9706550000e+00  1.5036180000e+00 -1.5569990000e+00 -2.3332810000e+00  1.9252710000e+00 -4.7398000000e-02 -2.4446720000e+00  1.9009300000e+00  7.9641100000e-01  2.0780110000e+00 -1.5403590000e+00  1.0771530000e+00  1.3881080000e+00 -9.3915200000e-01  2.2564600000e-01  1.6328880000e+00 -2.1667160000e+00
+ENERGY -1.526549438209e+02
+FORCES -5.9620000000e-04 -3.5536000000e-03  3.7180000000e-03  3.2741000000e-03  1.3691000000e-03 -1.7330000000e-03 -2.8947000000e-03  2.0591000000e-03 -1.7942000000e-03 -1.6550000000e-03 -5.0661000000e-03  3.9570000000e-04 -5.2420000000e-04  3.1547000000e-03 -2.7238000000e-03  2.3960000000e-03  2.0369000000e-03  2.1374000000e-03
+
+JOB 70
+COORDS -6.2581300000e-01  2.7594970000e+00 -1.7739100000e-01  1.5713600000e-01  2.2216760000e+00 -2.9559500000e-01 -1.1487130000e+00  2.2835820000e+00  4.6783200000e-01  5.7628100000e-01 -2.6579530000e+00  1.8767000000e-01  1.4313540000e+00 -3.0721030000e+00  3.0412500000e-01  3.3115700000e-01 -2.8630850000e+00 -7.1458600000e-01
+ENERGY -1.526549256465e+02
+FORCES  1.1023000000e-03 -4.5868000000e-03  2.3792000000e-03 -3.0510000000e-03  2.5791000000e-03  2.1180000000e-04  1.9227000000e-03  2.2784000000e-03 -2.6355000000e-03  2.4577000000e-03 -3.1429000000e-03 -3.1943000000e-03 -3.5098000000e-03  1.8350000000e-03 -5.2200000000e-04  1.0782000000e-03  1.0373000000e-03  3.7608000000e-03
+
+JOB 71
+COORDS  1.0485960000e+00  7.6080000000e-03  2.7745610000e+00  1.4452700000e-01  3.0939800000e-01  2.8629610000e+00  1.3585060000e+00 -8.8945000000e-02  3.6750410000e+00 -9.9704300000e-01  2.5099000000e-02 -2.8665840000e+00 -5.6379500000e-01 -2.8829300000e-01 -2.0726610000e+00 -1.8097730000e+00 -4.7859600000e-01 -2.9112430000e+00
+ENERGY -1.526544147698e+02
+FORCES -2.1592000000e-03  1.0642000000e-03  4.3603000000e-03  3.6211000000e-03 -1.4418000000e-03 -5.8860000000e-04 -1.3445000000e-03  3.7580000000e-04 -3.6825000000e-03 -1.1664000000e-03 -3.4041000000e-03  3.1374000000e-03 -2.1446000000e-03  1.3131000000e-03 -3.4262000000e-03  3.1935000000e-03  2.0928000000e-03  1.9950000000e-04
+
+JOB 72
+COORDS  3.5717000000e-02 -2.1879900000e-01  3.0916880000e+00 -5.2987200000e-01 -8.2807000000e-01  2.6172100000e+00 -4.9568000000e-02  6.0761900000e-01  2.6163020000e+00 -3.4733000000e-02  2.5930800000e-01 -3.0496480000e+00  9.0534500000e-01  2.3877200000e-01 -2.8705860000e+00 -3.0664700000e-01 -6.5760700000e-01 -3.0101380000e+00
+ENERGY -1.526543750194e+02
+FORCES -2.8730000000e-03  1.1126000000e-03 -3.8411000000e-03  2.4221000000e-03  2.3027000000e-03  1.9085000000e-03  4.9100000000e-04 -3.4683000000e-03  2.0331000000e-03  2.9363000000e-03 -3.8708000000e-03  3.8850000000e-04 -3.9916000000e-03  1.1490000000e-04 -5.7580000000e-04  1.0152000000e-03  3.8089000000e-03  8.6900000000e-05
+
+JOB 73
+COORDS -1.2221040000e+00  3.0335920000e+00  1.7722400000e+00 -1.2016870000e+00  2.8750570000e+00  2.7159990000e+00 -2.0602240000e+00  2.6704970000e+00  1.4859730000e+00  1.2231620000e+00 -3.0429940000e+00 -1.8246910000e+00  2.0925560000e+00 -3.0009860000e+00 -2.2229640000e+00  1.2223540000e+00 -2.3396010000e+00 -1.1754850000e+00
+ENERGY -1.526543122275e+02
+FORCES -3.5107000000e-03 -1.9657000000e-03  2.7222000000e-03 -1.3400000000e-05  5.8840000000e-04 -3.8826000000e-03  3.5086000000e-03  1.4365000000e-03  1.1742000000e-03  3.5802000000e-03  3.1871000000e-03  9.9250000000e-04 -3.5268000000e-03 -2.3760000000e-04  1.6128000000e-03 -3.7900000000e-05 -3.0088000000e-03 -2.6191000000e-03
+
+JOB 74
+COORDS  1.7645340000e+00 -2.3449840000e+00  2.6167470000e+00  2.0251700000e+00 -1.8532700000e+00  3.3955400000e+00  8.7461100000e-01 -2.6417610000e+00  2.8069890000e+00 -1.7109440000e+00  2.3781380000e+00 -2.7093480000e+00 -1.6175450000e+00  2.3877410000e+00 -1.7567640000e+00 -2.1344050000e+00  1.5412640000e+00 -2.9005420000e+00
+ENERGY -1.526540594855e+02
+FORCES -2.3966000000e-03  6.7940000000e-04  4.0617000000e-03 -1.1369000000e-03 -1.9797000000e-03 -3.2184000000e-03  3.5634000000e-03  1.3020000000e-03 -8.6430000000e-04 -1.1621000000e-03 -3.4785000000e-03  3.0978000000e-03 -4.9720000000e-04  2.8900000000e-05 -3.8572000000e-03  1.6294000000e-03  3.4479000000e-03  7.8050000000e-04
+
+JOB 75
+COORDS -1.1664880000e+00 -3.5323120000e+00 -1.3536240000e+00 -1.2483870000e+00 -3.9517350000e+00 -2.2101330000e+00 -2.5932300000e-01 -3.6926330000e+00 -1.0936590000e+00  1.1258790000e+00  3.5908180000e+00  1.3202090000e+00  1.8984180000e+00  3.4524730000e+00  1.8681840000e+00  3.9218100000e-01  3.3004600000e+00  1.8620670000e+00
+ENERGY -1.526540867665e+02
+FORCES  3.3999000000e-03 -2.2577000000e-03 -2.5410000000e-03  3.2270000000e-04  1.6608000000e-03  3.5157000000e-03 -3.7113000000e-03  5.9750000000e-04 -9.8940000000e-04  1.6000000000e-05 -1.8264000000e-03  4.4113000000e-03 -3.0946000000e-03  5.6510000000e-04 -2.2435000000e-03  3.0672000000e-03  1.2609000000e-03 -2.1531000000e-03
+
+JOB 76
+COORDS -6.5003600000e-01 -4.0085680000e+00 -7.7741900000e-01 -1.1440380000e+00 -3.2558840000e+00 -4.5236400000e-01  7.3231000000e-02 -4.1065170000e+00 -1.5812700000e-01  6.0329300000e-01  4.0246640000e+00  7.6213200000e-01  5.6779200000e-01  3.8225410000e+00 -1.7281100000e-01  1.2310040000e+00  3.3967160000e+00  1.1197520000e+00
+ENERGY -1.526540313998e+02
+FORCES  8.0480000000e-04  2.5288000000e-03  3.9155000000e-03  2.1226000000e-03 -3.0121000000e-03 -1.3721000000e-03 -2.9074000000e-03  4.8550000000e-04 -2.5642000000e-03  2.5041000000e-03 -3.2050000000e-03 -2.4284000000e-03  1.1130000000e-04  7.4430000000e-04  3.8826000000e-03 -2.6355000000e-03  2.4585000000e-03 -1.4333000000e-03
+
+JOB 77
+COORDS  9.3830000000e-02 -4.1320070000e+00 -8.1272500000e-01  9.9381100000e-01 -4.4431380000e+00 -9.1000100000e-01 -4.4704500000e-01 -4.8718570000e+00 -1.0889660000e+00 -6.7314000000e-02  4.1969250000e+00  7.7849700000e-01 -3.2790200000e-01  3.4113220000e+00  1.2592810000e+00 -5.1253100000e-01  4.9136470000e+00  1.2305200000e+00
+ENERGY -1.526541398649e+02
+FORCES  1.5137000000e-03 -4.2636000000e-03 -1.6198000000e-03 -3.6903000000e-03  1.2402000000e-03  4.3610000000e-04  2.1891000000e-03  3.0124000000e-03  1.1598000000e-03 -2.9045000000e-03 -4.6270000000e-04  3.7537000000e-03  1.0693000000e-03  3.3439000000e-03 -1.8926000000e-03  1.8227000000e-03 -2.8701000000e-03 -1.8372000000e-03
+
+JOB 78
+COORDS  9.7724600000e-01 -4.1847230000e+00 -2.9277200000e-01  3.5769500000e-01 -3.8203840000e+00 -9.2494700000e-01  1.2859590000e+00 -4.9947200000e+00 -6.9877000000e-01 -1.0033360000e+00  4.2195040000e+00  2.9439000000e-01 -4.6407700000e-01  4.8779540000e+00  7.3242400000e-01 -8.4239400000e-01  3.4129990000e+00  7.8416400000e-01
+ENERGY -1.526542322509e+02
+FORCES -1.2702000000e-03 -1.8685000000e-03 -4.2940000000e-03  2.5347000000e-03 -1.4632000000e-03  2.6285000000e-03 -1.2551000000e-03  3.3025000000e-03  1.6658000000e-03  2.9047000000e-03 -6.3840000000e-04  3.8355000000e-03 -2.2108000000e-03 -2.6503000000e-03 -1.7978000000e-03 -7.0320000000e-04  3.3178000000e-03 -2.0381000000e-03
+
+JOB 79
+COORDS  1.0886430000e+00 -5.8111200000e-01 -4.1305490000e+00  1.7878300000e+00  6.9996000000e-02 -4.1890960000e+00  1.1460450000e+00 -1.0694100000e+00 -4.9518300000e+00 -1.1877200000e+00  5.4573300000e-01  4.1883530000e+00 -9.4670200000e-01  1.4612390000e+00  4.3297430000e+00 -3.8232300000e-01  1.3040500000e-01  3.8800170000e+00
+ENERGY -1.526540550243e+02
+FORCES  3.0090000000e-03  6.3930000000e-04 -3.6625000000e-03 -2.8281000000e-03 -2.6493000000e-03  2.9910000000e-04 -2.0410000000e-04  2.0036000000e-03  3.3626000000e-03  4.2523000000e-03  1.9910000000e-03 -8.6990000000e-04 -9.7680000000e-04 -3.7055000000e-03 -5.1320000000e-04 -3.2522000000e-03  1.7210000000e-03  1.3839000000e-03
+
+JOB 80
+COORDS -1.5979400000e-01  2.1663000000e+00 -3.7422390000e+00  2.2451500000e-01  1.4150840000e+00 -4.1941380000e+00 -6.1959000000e-01  2.6497540000e+00 -4.4286000000e+00  1.5227100000e-01 -2.1780370000e+00  3.7445160000e+00  9.3598800000e-01 -2.3123620000e+00  4.2774110000e+00 -4.0857100000e-01 -1.6166230000e+00  4.2797760000e+00
+ENERGY -1.526540096105e+02
+FORCES -3.1120000000e-04 -1.2249000000e-03 -4.5714000000e-03 -1.5559000000e-03  3.1309000000e-03  1.7725000000e-03  1.8732000000e-03 -1.9329000000e-03  2.7975000000e-03  9.0010000000e-04  1.8880000000e-03  4.2752000000e-03 -3.1887000000e-03  4.9580000000e-04 -2.1555000000e-03  2.2825000000e-03 -2.3570000000e-03 -2.1183000000e-03
+
+JOB 81
+COORDS  1.9805630000e+00 -3.0891140000e+00 -2.7692100000e+00  1.4214450000e+00 -2.5763580000e+00 -3.3529050000e+00  1.7648480000e+00 -3.9999940000e+00 -2.9692000000e+00 -1.9101870000e+00  3.0622750000e+00  2.8288250000e+00 -2.2548600000e+00  3.7180010000e+00  3.4350060000e+00 -2.1124530000e+00  3.4089580000e+00  1.9598420000e+00
+ENERGY -1.526539561927e+02
+FORCES -3.2028000000e-03 -1.6125000000e-03 -3.0984000000e-03  2.2941000000e-03 -2.0867000000e-03  2.3303000000e-03  8.9570000000e-04  3.7116000000e-03  7.8110000000e-04 -2.1564000000e-03  4.0727000000e-03 -1.0747000000e-03  1.3878000000e-03 -2.6776000000e-03 -2.4752000000e-03  7.8170000000e-04 -1.4074000000e-03  3.5369000000e-03
+
+JOB 82
+COORDS -1.3879890000e+00 -2.2342800000e+00  4.5859830000e+00 -1.2779900000e+00 -1.2837900000e+00  4.6124570000e+00 -1.2388580000e+00 -2.4677000000e+00  3.6697370000e+00  1.4130600000e+00  2.2488440000e+00 -4.5525900000e+00  7.0951300000e-01  2.1977160000e+00 -3.9055660000e+00  1.4676790000e+00  1.3658280000e+00 -4.9180100000e+00
+ENERGY -1.526539795590e+02
+FORCES  1.0803000000e-03  2.9226000000e-03 -3.5583000000e-03 -4.6210000000e-04 -3.8892000000e-03 -1.5500000000e-04 -6.2130000000e-04  9.6870000000e-04  3.6968000000e-03 -2.6418000000e-03 -3.7835000000e-03  1.0468000000e-03  2.8797000000e-03  1.8120000000e-04 -2.5764000000e-03 -2.3480000000e-04  3.6002000000e-03  1.5462000000e-03
+
+JOB 83
+COORDS  1.6176160000e+00 -1.0314100000e+00 -5.0887170000e+00  1.4877580000e+00 -1.6011030000e+00 -5.8468840000e+00  9.0216700000e-01 -1.2565540000e+00 -4.4940120000e+00 -1.5666680000e+00  1.0361910000e+00  5.1589180000e+00 -8.5798100000e-01  1.4698240000e+00  4.6835680000e+00 -2.3517360000e+00  1.2266360000e+00  4.6454690000e+00
+ENERGY -1.526540897879e+02
+FORCES -3.4175000000e-03 -3.2951000000e-03 -7.0450000000e-04  5.1750000000e-04  2.3378000000e-03  3.1010000000e-03  2.9038000000e-03  9.6220000000e-04 -2.3988000000e-03 -2.7900000000e-04  2.5874000000e-03 -4.0092000000e-03 -2.9152000000e-03 -1.7887000000e-03  1.9324000000e-03  3.1903000000e-03 -8.0370000000e-04  2.0792000000e-03
+
+JOB 84
+COORDS -1.0329500000e-01 -2.7042700000e-01  5.4283480000e+00  7.6183900000e-01 -8.9063000000e-02  5.7956100000e+00 -4.9549300000e-01 -8.9720900000e-01  6.0362610000e+00  1.0681900000e-01  2.5586100000e-01 -5.5228510000e+00 -4.8161700000e-01  5.9579000000e-02 -4.7938460000e+00  1.2585300000e-01  1.2119350000e+00 -5.5651760000e+00
+ENERGY -1.526541630240e+02
+FORCES  1.9501000000e-03 -1.8386000000e-03  4.0048000000e-03 -3.5367000000e-03 -7.2810000000e-04 -1.5049000000e-03  1.5903000000e-03  2.5633000000e-03 -2.4871000000e-03 -2.3229000000e-03  3.0948000000e-03  2.8805000000e-03  2.3899000000e-03  7.9580000000e-04 -3.0251000000e-03 -7.0700000000e-05 -3.8873000000e-03  1.3180000000e-04
+
+JOB 85
+COORDS -3.6575600000e+00  4.8457640000e+00 -3.3834490000e+00 -3.8066840000e+00  4.1379490000e+00 -4.0103400000e+00 -2.7067460000e+00  4.9548120000e+00 -3.3663170000e+00  3.6150840000e+00 -4.7981660000e+00  3.4833420000e+00  3.6379760000e+00 -4.1892870000e+00  2.7451190000e+00  3.5948520000e+00 -5.6653640000e+00  3.0786330000e+00
+ENERGY -1.526540380475e+02
+FORCES  3.2581000000e-03 -2.4231000000e-03 -2.4832000000e-03  6.1840000000e-04  2.8792000000e-03  2.5591000000e-03 -3.8747000000e-03 -4.5920000000e-04 -7.3700000000e-05  6.9000000000e-06 -1.0626000000e-03 -4.6434000000e-03 -9.2500000000e-05 -2.4795000000e-03  2.9995000000e-03  8.3800000000e-05  3.5453000000e-03  1.6418000000e-03
+
+JOB 86
+COORDS -8.1405490000e+00  3.4136690000e+00 -7.7550900000e-01 -7.9787260000e+00  4.3563690000e+00 -7.3859100000e-01 -7.6277520000e+00  3.0536250000e+00 -5.1880000000e-02  8.1139160000e+00 -3.4230850000e+00  6.6878400000e-01  7.2691190000e+00 -3.7862890000e+00  9.3455300000e-01  8.6619510000e+00 -3.4933750000e+00  1.4504160000e+00
+ENERGY -1.526540695668e+02
+FORCES  2.7561000000e-03  2.3828000000e-03  3.0923000000e-03 -6.6240000000e-04 -3.8476000000e-03 -1.4530000000e-04 -2.0935000000e-03  1.4644000000e-03 -2.9466000000e-03 -1.2042000000e-03 -1.7815000000e-03  4.2650000000e-03  3.4434000000e-03  1.4896000000e-03 -1.0795000000e-03 -2.2395000000e-03  2.9230000000e-04 -3.1859000000e-03
+
+JOB 87
+COORDS  8.4888290000e+00  5.3471120000e+00  1.3849110000e+00  8.3628850000e+00  4.4311030000e+00  1.1373270000e+00  9.2095850000e+00  5.6483120000e+00  8.3171800000e-01 -8.5362690000e+00 -5.2547620000e+00 -1.3020440000e+00 -7.7069010000e+00 -5.4978360000e+00 -1.7135010000e+00 -9.1343360000e+00 -5.9669870000e+00 -1.5285040000e+00
+ENERGY -1.526540639235e+02
+FORCES  2.4201000000e-03 -2.5060000000e-03 -3.2646000000e-03  5.1770000000e-04  3.7355000000e-03  1.0083000000e-03 -2.9384000000e-03 -1.2301000000e-03  2.2561000000e-03  9.4060000000e-04 -3.8939000000e-03 -2.5987000000e-03 -3.3816000000e-03  9.9000000000e-04  1.6767000000e-03  2.4416000000e-03  2.9044000000e-03  9.2230000000e-04
+
+JOB 88
+COORDS  1.0590259000e+01  3.5753880000e+00 -3.5520080000e+00  9.7799300000e+00  3.5231260000e+00 -3.0451870000e+00  1.0859720000e+01  4.4910510000e+00 -3.4800070000e+00 -1.0532002000e+01 -3.5755540000e+00  3.4847890000e+00 -1.0247615000e+01 -4.4581220000e+00  3.7223390000e+00 -1.1379516000e+01 -3.4719060000e+00  3.9174650000e+00
+ENERGY -1.526540806925e+02
+FORCES -2.2142000000e-03  3.5208000000e-03  2.3603000000e-03  3.3098000000e-03  2.1400000000e-04 -2.0665000000e-03 -1.0952000000e-03 -3.7345000000e-03 -2.9370000000e-04 -2.2995000000e-03 -3.1815000000e-03  2.7315000000e-03 -1.1590000000e-03  3.6020000000e-03 -9.6770000000e-04  3.4581000000e-03 -4.2080000000e-04 -1.7639000000e-03
+
+JOB 89
+COORDS  1.1699523000e+01  1.3105960000e+00 -4.5461600000e-01  1.2191955000e+01  1.5299780000e+00 -1.2455740000e+00  1.1153816000e+01  2.0797110000e+00 -2.9060900000e-01 -1.1756909000e+01 -1.3694110000e+00  4.9731200000e-01 -1.1140375000e+01 -1.8487560000e+00  1.0507980000e+00 -1.1203895000e+01 -9.0033800000e-01 -1.2749000000e-01
+ENERGY -1.526540761028e+02
+FORCES -2.0680000000e-04  4.0342000000e-03 -2.5564000000e-03 -2.0133000000e-03 -8.9530000000e-04  3.2260000000e-03  2.2202000000e-03 -3.1393000000e-03 -6.6940000000e-04  4.7715000000e-03 -4.6500000000e-05 -2.8920000000e-04 -2.5154000000e-03  1.9576000000e-03 -2.2586000000e-03 -2.2563000000e-03 -1.9108000000e-03  2.5477000000e-03
+
+JOB 0
+COORDS  1.2006240000e+00 -3.4303500000e-01 -3.9081100000e-01  3.6947000000e-01 -1.1771700000e-01  2.7097000000e-02  1.1645400000e+00 -1.2933130000e+00 -4.9990800000e-01 -1.0980940000e+00  3.4935700000e-01  3.3799000000e-01 -1.0784830000e+00  1.2803060000e+00  5.5975700000e-01 -1.9371580000e+00  3.9153000000e-02  6.7854300000e-01
+ENERGY -1.526542534045e+02
+FORCES -2.3355500000e-02  3.2273000000e-03  6.5912000000e-03  4.7142000000e-03  3.7382000000e-03 -5.2880000000e-04 -1.2117000000e-03  2.1196000000e-03  7.6430000000e-04  1.6516500000e-02 -6.4093000000e-03 -4.3394000000e-03 -2.7050000000e-04 -6.2367000000e-03 -5.3120000000e-04  3.6069000000e-03  3.5609000000e-03 -1.9561000000e-03
+
+JOB 1
+COORDS -1.0989680000e+00  3.7067100000e-01  6.4480300000e-01 -1.5754440000e+00 -4.5262600000e-01  5.3810500000e-01 -2.5002000000e-01  2.1185000000e-01  2.3213600000e-01  1.0585120000e+00 -2.4944400000e-01 -6.2939300000e-01  9.2648400000e-01 -1.0663540000e+00 -1.1104950000e+00  1.5362190000e+00 -5.0935000000e-01  1.5831100000e-01
+ENERGY -1.526545067991e+02
+FORCES  1.8213000000e-02 -6.7209000000e-03 -1.4310000000e-02  2.3754000000e-03  1.3356000000e-03 -3.6790000000e-04 -2.8651000000e-03  3.2160000000e-04  9.3383000000e-03 -1.0672700000e-02 -1.1343000000e-03  4.7482000000e-03  4.3030000000e-04  3.9995000000e-03  4.0857000000e-03 -7.4809000000e-03  2.1985000000e-03 -3.4944000000e-03
+
+JOB 2
+COORDS  1.0057930000e+00  3.4337200000e-01 -7.9303200000e-01  2.1182300000e-01 -2.2586000000e-02 -4.0326400000e-01  8.0516000000e-01  4.1224100000e-01 -1.7264320000e+00 -9.5316100000e-01 -2.6378300000e-01  7.9579300000e-01 -4.6805000000e-01 -4.4154500000e-01  1.6015840000e+00 -1.3104260000e+00 -1.1136630000e+00  5.3830900000e-01
+ENERGY -1.526570106560e+02
+FORCES -1.5897100000e-02 -2.8707000000e-03  1.1285800000e-02  7.4020000000e-03 -2.1767000000e-03 -7.4829000000e-03 -2.1236000000e-03 -1.5450000000e-03  3.7478000000e-03  8.9434000000e-03  1.2281000000e-03 -1.0750000000e-03 -3.1958000000e-03 -9.4400000000e-05 -5.2033000000e-03  4.8711000000e-03  5.4588000000e-03 -1.2724000000e-03
+
+JOB 3
+COORDS  7.1902100000e-01  9.5718800000e-01 -6.0758700000e-01  7.2975000000e-01  1.0801950000e+00 -1.5567890000e+00  3.4044000000e-02  3.0558100000e-01 -4.5776100000e-01 -6.9087300000e-01 -9.0362200000e-01  5.8657000000e-01 -1.0512510000e+00 -5.3208200000e-01  1.3917520000e+00 -1.2980000000e-01 -1.6202260000e+00  8.8306200000e-01
+ENERGY -1.526594960445e+02
+FORCES -8.8811000000e-03 -1.1154700000e-02  6.2757000000e-03 -1.6437000000e-03 -2.7963000000e-03  3.3267000000e-03  3.9672000000e-03  7.5713000000e-03 -5.7422000000e-03  8.1811000000e-03  5.9904000000e-03  7.6200000000e-05  2.0877000000e-03 -2.6428000000e-03 -3.6524000000e-03 -3.7113000000e-03  3.0321000000e-03 -2.8400000000e-04
+
+JOB 4
+COORDS  5.7367300000e-01 -1.2830000000e-03  1.1254590000e+00  1.4386730000e+00 -2.6156300000e-01  1.4420990000e+00 -3.9426000000e-02 -4.2874200000e-01  1.7234720000e+00 -6.3322500000e-01  3.8612000000e-02 -1.2310800000e+00  3.0041400000e-01 -1.7203600000e-01 -1.2443810000e+00 -7.9615300000e-01  3.5079800000e-01 -3.4100900000e-01
+ENERGY -1.526540099679e+02
+FORCES -2.8823000000e-03 -2.6484000000e-03 -4.4341000000e-03 -4.2533000000e-03  2.0030000000e-04 -2.4980000000e-03  2.0239000000e-03  3.3850000000e-03 -4.0615000000e-03  1.1456600000e-02 -3.4400000000e-05  1.4904900000e-02 -5.3520000000e-04 -5.7400000000e-04 -4.6012000000e-03 -5.8098000000e-03 -3.2840000000e-04  6.8980000000e-04
+
+JOB 5
+COORDS -8.2560000000e-03 -8.4002300000e-01 -9.3883900000e-01  1.3556500000e-01 -6.9304500000e-01 -1.8736890000e+00  2.0559000000e-02 -1.7914900000e+00 -8.3827300000e-01 -4.8911000000e-02  9.4317200000e-01  1.0066070000e+00  8.4419900000e-01  7.7121100000e-01  1.3049640000e+00 -2.1826300000e-01  2.6495300000e-01  3.5271800000e-01
+ENERGY -1.526586772023e+02
+FORCES  9.5600000000e-05  6.4692000000e-03  4.6431000000e-03 -2.7350000000e-04 -3.1105000000e-03  4.3274000000e-03  6.9920000000e-04  5.0014000000e-03 -1.4740000000e-03  3.0261000000e-03 -1.2123800000e-02 -1.2709200000e-02 -2.0290000000e-03  3.2320000000e-04 -2.8460000000e-04 -1.5184000000e-03  3.4404000000e-03  5.4973000000e-03
+
+JOB 6
+COORDS -6.3366600000e-01 -3.1628000000e-02 -1.1961470000e+00 -3.9560200000e-01 -2.9353300000e-01 -3.0678600000e-01 -4.7405500000e-01 -8.1200000000e-01 -1.7269740000e+00  5.9986700000e-01  2.3308000000e-02  1.1609000000e+00  1.0942220000e+00  6.4763500000e-01  6.2980600000e-01  3.2034000000e-01  5.2699800000e-01  1.9253560000e+00
+ENERGY -1.526603571742e+02
+FORCES  3.9335000000e-03 -3.0319000000e-03  1.2770200000e-02 -8.9650000000e-04  1.7064000000e-03 -1.0021600000e-02  7.0500000000e-04  2.1390000000e-03  3.2899000000e-03 -1.8841000000e-03  4.8235000000e-03 -4.9617000000e-03 -3.7672000000e-03 -4.1774000000e-03  3.2028000000e-03  1.9094000000e-03 -1.4596000000e-03 -4.2797000000e-03
+
+JOB 7
+COORDS -1.0889820000e+00  8.4988000000e-01  5.0956000000e-02 -5.3931900000e-01  1.6327600000e+00  8.5636000000e-02 -4.7095700000e-01  1.2747200000e-01 -6.0415000000e-02  9.6399300000e-01 -8.8314100000e-01 -2.3465000000e-02  1.2236350000e+00 -7.3707200000e-01 -9.3312600000e-01  1.6795300000e+00 -5.1214600000e-01  4.9286900000e-01
+ENERGY -1.526574560963e+02
+FORCES  1.4924000000e-02 -1.0339100000e-02  1.1128000000e-03 -6.3520000000e-04 -2.3222000000e-03 -2.2490000000e-04 -6.5555000000e-03  5.9448000000e-03 -4.1676000000e-03 -6.2890000000e-04  6.1097000000e-03  1.3357000000e-03 -3.5828000000e-03  1.7763000000e-03  5.9276000000e-03 -3.5215000000e-03 -1.1695000000e-03 -3.9836000000e-03
+
+JOB 8
+COORDS  9.2100000000e-04  1.2732590000e+00  5.3984400000e-01 -3.4587900000e-01  4.3666900000e-01  2.2988000000e-01  7.0408000000e-01  1.0328230000e+00  1.1431610000e+00 -5.3489000000e-02 -1.1821580000e+00 -5.1223100000e-01 -1.5952800000e-01 -2.0932450000e+00 -7.8592500000e-01  6.5102600000e-01 -8.4566600000e-01 -1.0660040000e+00
+ENERGY -1.526590060398e+02
+FORCES -1.1511000000e-03 -1.3732100000e-02 -4.8690000000e-04  3.1730000000e-03  6.2230000000e-03 -1.3590000000e-03 -1.0028000000e-03  1.2301000000e-03 -2.3852000000e-03  5.0210000000e-04  4.1569000000e-03  3.4890000000e-04  2.7107000000e-03  4.5213000000e-03  2.6470000000e-04 -4.2320000000e-03 -2.3991000000e-03  3.6176000000e-03
+
+JOB 9
+COORDS -1.0496350000e+00  6.9469700000e-01  3.2700000000e-01 -6.9640700000e-01  1.5160760000e+00  6.6875700000e-01 -1.5080140000e+00  3.0285400000e-01  1.0703570000e+00  1.0295420000e+00 -7.6658800000e-01 -4.3131800000e-01  5.0599900000e-01 -1.8419200000e-01  1.1909100000e-01  1.9365420000e+00 -5.4334100000e-01 -2.2216500000e-01
+ENERGY -1.526561593744e+02
+FORCES  5.6690000000e-04 -1.3846000000e-03 -1.8280000000e-04  1.2430000000e-03 -7.0816000000e-03 -1.5821000000e-03  4.4604000000e-03  2.0326000000e-03 -3.9549000000e-03 -1.1673300000e-02  8.1171000000e-03  3.9612000000e-03  1.0186500000e-02 -3.4133000000e-03  1.1470000000e-03 -4.7835000000e-03  1.7299000000e-03  6.1160000000e-04
+
+JOB 10
+COORDS -1.2209240000e+00  4.3669100000e-01 -4.1157800000e-01 -1.5104590000e+00  1.3213490000e+00 -1.8845900000e-01 -3.1924200000e-01  3.9190100000e-01 -9.3466000000e-02  1.1434260000e+00 -4.2441100000e-01  3.7274600000e-01  2.0069100000e+00 -5.3346400000e-01 -2.5669000000e-02  1.0437500000e+00 -1.1873680000e+00  9.4212600000e-01
+ENERGY -1.526597623114e+02
+FORCES  1.3237100000e-02 -3.4367000000e-03  3.8931000000e-03  3.0984000000e-03 -2.6971000000e-03  9.9500000000e-05 -8.2765000000e-03  3.8822000000e-03 -8.6370000000e-04 -6.9049000000e-03 -3.9240000000e-04 -3.1792000000e-03 -3.6736000000e-03 -8.3980000000e-04  2.9559000000e-03  2.5195000000e-03  3.4838000000e-03 -2.9056000000e-03
+
+JOB 11
+COORDS  6.7418200000e-01 -4.2458900000e-01 -9.9642100000e-01  9.5727900000e-01  1.2629400000e-01 -1.7262260000e+00  3.8575800000e-01 -1.2390640000e+00 -1.4083350000e+00 -7.0555300000e-01  3.9507500000e-01  1.1028380000e+00 -5.8187100000e-01  1.3226020000e+00  1.3044020000e+00 -2.6618900000e-01  2.7167100000e-01  2.6143400000e-01
+ENERGY -1.526589206190e+02
+FORCES -5.0037000000e-03 -1.1300000000e-05  3.9165000000e-03 -2.1666000000e-03 -2.7825000000e-03  4.0453000000e-03  2.2818000000e-03  4.9349000000e-03  7.8380000000e-04  9.4477000000e-03 -4.0681000000e-03 -1.2876100000e-02  8.4370000000e-04 -2.5828000000e-03 -2.5908000000e-03 -5.4030000000e-03  4.5097000000e-03  6.7213000000e-03
+
+JOB 12
+COORDS  7.4039200000e-01 -1.0299030000e+00  3.7549400000e-01  3.8390100000e-01 -1.8970380000e+00  5.6842600000e-01  9.8029200000e-01 -1.0696010000e+00 -5.5030500000e-01 -7.9875600000e-01  1.0931650000e+00 -3.5094600000e-01 -9.9750000000e-03  1.5643690000e+00 -6.1931800000e-01 -4.8281800000e-01  4.2015800000e-01  2.5194400000e-01
+ENERGY -1.526586964198e+02
+FORCES -3.0665000000e-03  6.3590000000e-04 -6.3997000000e-03  1.0072000000e-03  4.7339000000e-03 -1.5872000000e-03 -5.4110000000e-04  4.1300000000e-04  5.0830000000e-03  1.0283300000e-02 -9.4053000000e-03  6.1172000000e-03 -2.0749000000e-03 -2.0934000000e-03 -6.6980000000e-04 -5.6080000000e-03  5.7161000000e-03 -2.5435000000e-03
+
+JOB 13
+COORDS  1.1842620000e+00  2.5797500000e-01  5.8809000000e-01  1.3613460000e+00  2.0614000000e-02  1.4983280000e+00  4.7465200000e-01  8.9822000000e-01  6.4072900000e-01 -1.1894220000e+00 -2.5903000000e-01 -6.9727500000e-01 -2.4826600000e-01 -4.3064600000e-01 -6.6557700000e-01 -1.5094510000e+00 -5.1581900000e-01  1.6752100000e-01
+ENERGY -1.526576148373e+02
+FORCES -5.4949000000e-03  2.0026000000e-03  1.4929000000e-03 -2.6506000000e-03  1.3928000000e-03 -3.9567000000e-03  3.3498000000e-03 -5.7586000000e-03 -6.4000000000e-06  1.0186100000e-02 -4.0888000000e-03  6.6056000000e-03 -6.0520000000e-03  3.5702000000e-03 -2.2071000000e-03  6.6160000000e-04  2.8818000000e-03 -1.9284000000e-03
+
+JOB 14
+COORDS -9.8795400000e-01  8.6573800000e-01 -1.1547100000e-01 -1.3624340000e+00  1.1408660000e+00 -9.5231100000e-01 -4.2059800000e-01  1.5917530000e+00  1.4383800000e-01  1.0314990000e+00 -9.1813800000e-01  1.0458400000e-01  8.6930500000e-01 -1.6017820000e+00  7.5462700000e-01  2.8042600000e-01 -3.2987300000e-01  1.8246800000e-01
+ENERGY -1.526596639423e+02
+FORCES  3.8891000000e-03 -1.5648000000e-03 -4.8133000000e-03  1.5687000000e-03  6.3960000000e-04  4.7272000000e-03 -1.6875000000e-03 -6.4984000000e-03 -1.5215000000e-03 -1.2480100000e-02  6.6040000000e-03 -1.0034000000e-03 -8.6700000000e-04  2.9007000000e-03 -1.7880000000e-03  9.5769000000e-03 -2.0811000000e-03  4.3990000000e-03
+
+JOB 15
+COORDS  4.5717200000e-01  1.0217130000e+00  6.4039200000e-01  5.0337100000e-01  1.9577980000e+00  8.3492200000e-01  1.3585980000e+00  7.1289600000e-01  7.3147000000e-01 -5.0468800000e-01 -1.1157880000e+00 -6.1706700000e-01 -4.5761100000e-01 -2.0444300000e-01 -3.2816300000e-01 -6.7830600000e-01 -1.0609800000e+00 -1.5567930000e+00
+ENERGY -1.526600493678e+02
+FORCES  1.4454000000e-03 -4.9256000000e-03 -1.9475000000e-03  1.1730000000e-03 -4.6118000000e-03 -1.0271000000e-03 -4.0354000000e-03  3.9342000000e-03  1.0460000000e-04  2.6537000000e-03  1.1530100000e-02  4.1491000000e-03 -2.2119000000e-03 -7.3304000000e-03 -4.4629000000e-03  9.7510000000e-04  1.4034000000e-03  3.1837000000e-03
+
+JOB 16
+COORDS -8.7032200000e-01 -9.0982700000e-01 -4.0554700000e-01 -1.0947010000e+00 -1.8323050000e+00 -5.2769700000e-01 -1.0110580000e+00 -7.5015000000e-01  5.2768900000e-01  8.8751800000e-01  1.0068430000e+00  3.9142300000e-01  1.8229700000e-01  5.0735200000e-01 -2.0163000000e-02  1.6850660000e+00  5.3001400000e-01  1.6167800000e-01
+ENERGY -1.526563121453e+02
+FORCES  3.4585000000e-03  2.1200000000e-05  3.0244000000e-03  6.8260000000e-04  4.0257000000e-03  2.2597000000e-03  3.8262000000e-03  2.7296000000e-03 -7.3654000000e-03 -2.8797000000e-03 -1.0254900000e-02 -8.3099000000e-03 -3.6149000000e-03  1.5677000000e-03  8.9906000000e-03 -1.4729000000e-03  1.9107000000e-03  1.4006000000e-03
+
+JOB 17
+COORDS  6.0608900000e-01 -1.2809620000e+00 -8.0997000000e-02  1.1187370000e+00 -7.4306400000e-01 -6.8439500000e-01  1.7019200000e-01 -6.5001200000e-01  4.9182700000e-01 -5.5232600000e-01  1.2365600000e+00  5.5441000000e-02 -7.5440700000e-01  1.1184810000e+00  9.8358600000e-01 -1.3319840000e+00  9.2156900000e-01 -4.0188400000e-01
+ENERGY -1.526539676250e+02
+FORCES -2.2523000000e-03  1.5967400000e-02 -1.9334000000e-03  1.2520000000e-04 -4.3424000000e-03  2.0350000000e-04 -2.5805000000e-03 -3.6048000000e-03  5.0665000000e-03 -3.2142000000e-03 -4.7891000000e-03 -9.3770000000e-04  3.6334000000e-03 -4.5819000000e-03 -5.4252000000e-03  4.2885000000e-03  1.3508000000e-03  3.0262000000e-03
+
+JOB 18
+COORDS -7.0715700000e-01 -9.6170800000e-01 -5.5457200000e-01 -1.3988110000e+00 -1.5850020000e+00 -3.3242100000e-01 -1.0078610000e+00 -5.4781700000e-01 -1.3635860000e+00  8.1994400000e-01  9.8120200000e-01  6.0134200000e-01  3.4622900000e-01  2.5208700000e-01  2.0107000000e-01  1.6265900000e-01  1.6703280000e+00  6.9784800000e-01
+ENERGY -1.526595508088e+02
+FORCES -9.1300000000e-05  2.0062000000e-03  2.5085000000e-03  2.2978000000e-03  3.3358000000e-03 -3.1020000000e-03  1.1463000000e-03 -1.3851000000e-03  5.4307000000e-03 -9.8584000000e-03 -9.4204000000e-03 -3.7562000000e-03  5.0600000000e-03  7.4005000000e-03 -7.1100000000e-05  1.4457000000e-03 -1.9372000000e-03 -1.0098000000e-03
+
+JOB 19
+COORDS  5.1605100000e-01  3.5669100000e-01  1.1737400000e+00  1.4555990000e+00  3.5060900000e-01  9.9086100000e-01  4.2460800000e-01 -1.5564800000e-01  1.9770950000e+00 -6.2325700000e-01 -3.6004900000e-01 -1.2253890000e+00  1.7681600000e-01 -3.3617300000e-01 -1.7503130000e+00 -3.9725200000e-01  1.0866400000e-01 -4.2198300000e-01
+ENERGY -1.526587003039e+02
+FORCES  1.2240000000e-04 -5.6952000000e-03 -1.9778000000e-03 -4.7746000000e-03 -3.3210000000e-04  2.4060000000e-04  2.0074000000e-03  2.8260000000e-03 -3.3465000000e-03  7.2568000000e-03  3.8474000000e-03  1.1499100000e-02 -1.5426000000e-03 -6.8000000000e-06  2.0803000000e-03 -3.0693000000e-03 -6.3930000000e-04 -8.4957000000e-03
+
+JOB 20
+COORDS -1.0356200000e-01 -8.1875200000e-01  1.1359380000e+00 -2.0923800000e-01 -3.0922400000e-01  3.3254200000e-01 -9.8261500000e-01 -8.5780100000e-01  1.5127310000e+00  1.2429900000e-01  7.8761600000e-01 -1.0612190000e+00 -4.6620000000e-03  3.8547300000e-01 -1.9202190000e+00  9.6883600000e-01  1.2330150000e+00 -1.1291010000e+00
+ENERGY -1.526610767880e+02
+FORCES -4.9760000000e-04  8.4814000000e-03 -9.9201000000e-03 -2.5139000000e-03 -7.2462000000e-03  7.5731000000e-03  2.2364000000e-03  8.8040000000e-04 -2.6533000000e-03  4.2675000000e-03 -1.8960000000e-03  1.9633000000e-03  9.3350000000e-04  1.8411000000e-03  4.7045000000e-03 -4.4258000000e-03 -2.0607000000e-03 -1.6675000000e-03
+
+JOB 21
+COORDS  6.6572400000e-01 -1.2255730000e+00  1.4034100000e-01  3.7395800000e-01 -3.2579800000e-01  2.8700400000e-01  1.3015260000e+00 -1.3882840000e+00  8.3712800000e-01 -6.3908500000e-01  1.1588190000e+00 -1.3794000000e-01 -1.5040750000e+00  8.3787300000e-01 -3.9292800000e-01 -4.8821300000e-01  1.9167170000e+00 -7.0279500000e-01
+ENERGY -1.526610167803e+02
+FORCES -3.5600000000e-03  1.0596000000e-02  1.0740000000e-04  3.3143000000e-03 -9.4361000000e-03  2.6734000000e-03 -2.2257000000e-03  2.4069000000e-03 -2.0332000000e-03  3.7370000000e-04 -3.0930000000e-03 -4.0248000000e-03  4.3335000000e-03  2.6717000000e-03  9.7720000000e-04 -2.2356000000e-03 -3.1455000000e-03  2.3000000000e-03
+
+JOB 22
+COORDS  8.0561800000e-01  7.5836900000e-01  7.2747100000e-01  1.6564180000e+00  6.0767700000e-01  3.1556800000e-01  1.0165800000e+00  1.1127360000e+00  1.5912710000e+00 -8.6022500000e-01 -8.3237600000e-01 -7.7332000000e-01 -1.3212770000e+00 -1.1571100000e-01 -1.2092710000e+00 -4.5822700000e-01 -4.2694300000e-01 -5.0400000000e-03
+ENERGY -1.526607184442e+02
+FORCES  1.9628000000e-03 -1.9307000000e-03 -1.9994000000e-03 -3.7818000000e-03  1.5672000000e-03  3.5080000000e-03 -2.0150000000e-04 -1.6621000000e-03 -4.6765000000e-03  5.1480000000e-03  9.9587000000e-03  6.8716000000e-03  1.0945000000e-03 -2.2469000000e-03  6.9570000000e-04 -4.2220000000e-03 -5.6862000000e-03 -4.3995000000e-03
+
+JOB 23
+COORDS -1.2330720000e+00  5.1957900000e-01 -5.4981200000e-01 -3.1089800000e-01  4.7393800000e-01 -2.9733900000e-01 -1.7125350000e+00  3.9982000000e-01  2.6994700000e-01  1.1725050000e+00 -4.9932100000e-01  4.3247600000e-01  8.7669400000e-01 -7.8006200000e-01  1.2984510000e+00  2.1202430000e+00 -4.0024100000e-01  5.2306900000e-01
+ENERGY -1.526586234675e+02
+FORCES  9.7626000000e-03 -3.9213000000e-03  5.2977000000e-03 -7.9565000000e-03  3.5637000000e-03 -1.5213000000e-03  1.9142000000e-03 -2.7340000000e-04 -1.8523000000e-03  5.0400000000e-05 -9.2400000000e-04  2.0106000000e-03  1.1109000000e-03  2.6367000000e-03 -4.2608000000e-03 -4.8817000000e-03 -1.0817000000e-03  3.2620000000e-04
+
+JOB 24
+COORDS -6.1279000000e-01 -1.1789920000e+00  3.1295800000e-01 -3.9173900000e-01 -1.1559890000e+00  1.2439990000e+00 -1.5585530000e+00 -1.3253470000e+00  2.9439000000e-01  6.6595500000e-01  1.2515480000e+00 -4.0023000000e-01 -1.0314400000e-01  6.8198100000e-01 -3.8255400000e-01  1.3225920000e+00  7.8421900000e-01  1.1616400000e-01
+ENERGY -1.526580858298e+02
+FORCES -8.0490000000e-04 -2.7820000000e-04  3.9639000000e-03 -4.8070000000e-04  6.2740000000e-04 -5.1395000000e-03  4.9597000000e-03  2.2778000000e-03 -7.0000000000e-05 -3.6395000000e-03 -1.2991900000e-02  2.9193000000e-03  6.5270000000e-04  7.8192000000e-03 -1.6230000000e-03 -6.8740000000e-04  2.5457000000e-03 -5.0700000000e-05
+
+JOB 25
+COORDS  3.1240500000e-01  6.9385000000e-01  1.1857190000e+00  1.6485800000e-01  1.5649470000e+00  1.5540290000e+00  4.1179500000e-01  8.4443600000e-01  2.4567800000e-01 -3.1268000000e-01 -7.0303500000e-01 -1.2024250000e+00 -4.2703900000e-01 -1.6476380000e+00 -1.3067330000e+00 -1.4747400000e-01 -5.8311700000e-01 -2.6724700000e-01
+ENERGY -1.526553663553e+02
+FORCES -1.4375000000e-03  5.2330000000e-03 -2.6842000000e-03  1.5606000000e-03 -3.1702000000e-03 -2.0723000000e-03 -4.5412000000e-03 -1.0637900000e-02  4.1888000000e-03 -8.2060000000e-04 -3.6213000000e-03  5.9623000000e-03  8.2000000000e-06  3.3674000000e-03  1.0580000000e-03  5.2304000000e-03  8.8291000000e-03 -6.4526000000e-03
+
+JOB 26
+COORDS -9.7555400000e-01  6.3939800000e-01  7.6230800000e-01 -1.7618840000e+00  9.4903000000e-02  8.0030500000e-01 -1.1657290000e+00  1.2886730000e+00  8.5175000000e-02  1.0505550000e+00 -7.0517200000e-01 -7.0428200000e-01  1.6000100000e-01 -3.6499200000e-01 -6.1812400000e-01  1.5264280000e+00 -1.6930000000e-02 -1.1691480000e+00
+ENERGY -1.526545988841e+02
+FORCES -2.5714000000e-03  1.1094000000e-03  1.0271000000e-03  5.3765000000e-03  2.1665000000e-03 -1.9654000000e-03  3.3838000000e-03 -6.0374000000e-03  1.1887000000e-03 -6.3867000000e-03  7.4585000000e-03  5.7702000000e-03  2.6434000000e-03 -2.9302000000e-03 -7.6173000000e-03 -2.4456000000e-03 -1.7668000000e-03  1.5966000000e-03
+
+JOB 27
+COORDS -2.0790000000e-02 -7.9925800000e-01  1.2272370000e+00 -1.7981100000e-01 -3.5049600000e-01  3.9684100000e-01 -2.7370200000e-01 -1.6300100000e-01  1.8961500000e+00  6.1230000000e-02  7.1114900000e-01 -1.1631310000e+00 -6.1971700000e-01  1.3752500000e+00 -1.2704260000e+00  3.9489100000e-01  5.6437200000e-01 -2.0482060000e+00
+ENERGY -1.526600747783e+02
+FORCES  6.5330000000e-04  7.4383000000e-03 -8.0721000000e-03 -2.6027000000e-03 -3.9998000000e-03  8.4551000000e-03  2.4240000000e-04 -1.3905000000e-03 -2.5682000000e-03  7.0410000000e-04 -6.2520000000e-04 -2.4888000000e-03  3.3299000000e-03 -3.7195000000e-03  1.0832000000e-03 -2.3271000000e-03  2.2967000000e-03  3.5909000000e-03
+
+JOB 28
+COORDS  5.5889600000e-01 -1.2565270000e+00  4.9346700000e-01 -4.5545000000e-02 -1.5729780000e+00  1.1648400000e+00  2.5484500000e-01 -3.7086000000e-01  2.9502800000e-01 -5.0041800000e-01  1.2036710000e+00 -4.5151400000e-01  5.2128000000e-02  1.8109890000e+00 -9.4354000000e-01 -1.1649560000e+00  9.2102500000e-01 -1.0797910000e+00
+ENERGY -1.526618195887e+02
+FORCES -5.0336000000e-03  1.0088400000e-02 -1.0814000000e-03  1.0850000000e-03  1.3929000000e-03 -2.5785000000e-03  3.3301000000e-03 -9.8188000000e-03  3.2076000000e-03  4.4230000000e-04 -2.6740000000e-04 -4.5369000000e-03 -3.3939000000e-03 -3.1015000000e-03  1.7426000000e-03  3.5700000000e-03  1.7066000000e-03  3.2466000000e-03
+
+JOB 29
+COORDS -8.6203300000e-01  4.6202200000e-01 -1.1031210000e+00 -3.8405000000e-01  2.2759200000e-01 -3.0762900000e-01 -1.6659560000e+00  8.7455100000e-01 -7.8727300000e-01  8.1846300000e-01 -4.6357700000e-01  1.0249850000e+00  1.3198120000e+00 -9.9145000000e-02  1.7544160000e+00  1.4577310000e+00 -9.6963200000e-01  5.2351100000e-01
+ENERGY -1.526617336923e+02
+FORCES  3.1684000000e-03 -1.6555000000e-03  9.3690000000e-03 -5.2016000000e-03  1.7330000000e-03 -8.7390000000e-03  2.7215000000e-03 -1.0479000000e-03 -2.9160000000e-04  3.8254000000e-03  4.5890000000e-04 -1.3400000000e-05 -1.4488000000e-03 -2.7064000000e-03 -3.3092000000e-03 -3.0650000000e-03  3.2179000000e-03  2.9842000000e-03
+
+JOB 30
+COORDS -6.8250600000e-01  1.3168720000e+00 -1.4632000000e-02 -1.0790200000e-01  5.5140000000e-01 -2.5298000000e-02 -8.4785400000e-01  1.5057210000e+00 -9.3833500000e-01  6.5296000000e-01 -1.2144650000e+00  5.8097000000e-02  3.9481900000e-01 -1.6100880000e+00  8.9061000000e-01  9.7024800000e-01 -1.9483400000e+00 -4.6819900000e-01
+ENERGY -1.526610104099e+02
+FORCES  4.8266000000e-03 -8.6786000000e-03 -3.7076000000e-03 -4.2761000000e-03  7.8800000000e-03  2.2515000000e-03  5.5180000000e-04 -5.3920000000e-04  2.4809000000e-03 -1.1805000000e-03 -2.3314000000e-03  1.0970000000e-04  1.7358000000e-03  1.5104000000e-03 -4.5504000000e-03 -1.6576000000e-03  2.1588000000e-03  3.4159000000e-03
+
+JOB 31
+COORDS -1.2071190000e+00 -9.2369400000e-01  2.8976000000e-02 -1.0830320000e+00 -1.9854500000e-01 -5.8339000000e-01 -5.5572700000e-01 -7.7341400000e-01  7.1405800000e-01  1.1711740000e+00  8.2431000000e-01  1.7746000000e-02  9.0491800000e-01  1.7412730000e+00  8.4962000000e-02  1.2419880000e+00  6.6332500000e-01 -9.2315900000e-01
+ENERGY -1.526566604426e+02
+FORCES  9.1066000000e-03  7.3383000000e-03  1.6230000000e-03 -2.0255000000e-03 -1.8534000000e-03 -1.5041000000e-03 -4.9357000000e-03 -3.5723000000e-03 -5.5300000000e-05  3.9140000000e-04  2.0827000000e-03 -3.7322000000e-03 -1.0930000000e-04 -5.1017000000e-03 -8.1070000000e-04 -2.4275000000e-03  1.1064000000e-03  4.4792000000e-03
+
+JOB 32
+COORDS  1.1863160000e+00  6.7465400000e-01 -6.3754600000e-01  1.7530970000e+00  3.6549200000e-01  6.9144000000e-02  3.0353600000e-01  6.4180800000e-01 -2.6896400000e-01 -1.1268280000e+00 -6.2678400000e-01  5.6684400000e-01 -2.0289500000e+00 -3.1506800000e-01  6.3922400000e-01 -1.1485660000e+00 -1.5113880000e+00  9.3185800000e-01
+ENERGY -1.526589635545e+02
+FORCES -6.4716000000e-03 -5.4848000000e-03  6.8083000000e-03 -5.4920000000e-04  8.9250000000e-04 -2.4956000000e-03  4.4575000000e-03  5.7523000000e-03 -3.3610000000e-03 -9.9470000000e-04 -4.0354000000e-03  5.1850000000e-04  4.6751000000e-03 -1.2301000000e-03 -5.5130000000e-04 -1.1171000000e-03  4.1055000000e-03 -9.1900000000e-04
+
+JOB 33
+COORDS -4.6453200000e-01 -2.8024200000e-01  1.3070450000e+00 -7.7497000000e-01  1.3706800000e-01  2.1106070000e+00 -1.0331100000e+00 -1.0424190000e+00  1.1973330000e+00  4.6104700000e-01  2.9226600000e-01 -1.3815160000e+00  1.2574520000e+00  7.5639200000e-01 -1.6395030000e+00  6.5299800000e-01 -4.5855000000e-02 -5.0683800000e-01
+ENERGY -1.526587128225e+02
+FORCES -4.4451000000e-03  8.6600000000e-04  1.1975000000e-03  5.4230000000e-04 -2.4908000000e-03 -3.0528000000e-03  3.0876000000e-03  3.3373000000e-03  1.0181000000e-03  9.4720000000e-04  1.9590000000e-04  7.3430000000e-03 -2.8159000000e-03 -1.3220000000e-03  1.7913000000e-03  2.6838000000e-03 -5.8640000000e-04 -8.2971000000e-03
+
+JOB 34
+COORDS -1.2535730000e+00 -7.3123800000e-01 -4.0281700000e-01 -1.7557850000e+00 -1.1008940000e+00  3.2338500000e-01 -4.3201000000e-01 -4.4367400000e-01 -4.6040000000e-03  1.1932190000e+00  7.3177800000e-01  3.8517400000e-01  1.8986040000e+00  1.2148400000e-01  1.7022200000e-01  1.2591050000e+00  1.4181650000e+00 -2.7872700000e-01
+ENERGY -1.526613293810e+02
+FORCES  5.7731000000e-03  3.9632000000e-03  5.5599000000e-03  2.3132000000e-03  1.2922000000e-03 -1.9987000000e-03 -7.3201000000e-03 -7.2304000000e-03 -3.5584000000e-03  3.6829000000e-03  3.5142000000e-03 -4.1336000000e-03 -5.1405000000e-03  2.1707000000e-03  7.2040000000e-04  6.9130000000e-04 -3.7099000000e-03  3.4105000000e-03
+
+JOB 35
+COORDS  8.8037000000e-01 -1.6451000000e-01  1.2075930000e+00  1.1602890000e+00 -1.0603830000e+00  1.3954430000e+00  3.9554800000e-01 -2.3205700000e-01  3.8502700000e-01 -8.0882500000e-01  2.0272800000e-01 -1.1446990000e+00 -1.0583560000e+00 -3.4300000000e-04 -2.0462130000e+00 -1.5707960000e+00  6.5324500000e-01 -7.8046300000e-01
+ENERGY -1.526614097673e+02
+FORCES -3.2743000000e-03 -2.2185000000e-03 -7.2705000000e-03 -1.0833000000e-03  2.6871000000e-03 -1.1597000000e-03  4.0687000000e-03 -6.3660000000e-04  9.0488000000e-03 -2.9354000000e-03  1.2606000000e-03 -2.1115000000e-03 -2.5660000000e-04  1.5854000000e-03  4.0455000000e-03  3.4810000000e-03 -2.6780000000e-03 -2.5527000000e-03
+
+JOB 36
+COORDS  5.0898100000e-01 -5.5440500000e-01  1.2894100000e+00 -6.7078000000e-02  1.2424100000e-01  1.6413020000e+00  1.3167950000e+00 -9.1723000000e-02  1.0667130000e+00 -5.3212600000e-01  4.8583700000e-01 -1.3582450000e+00 -7.3335100000e-01  1.1862140000e+00 -7.3759100000e-01 -1.6254300000e-01 -2.1357100000e-01 -8.1929300000e-01
+ENERGY -1.526571713722e+02
+FORCES  1.5518000000e-03  5.0218000000e-03  3.2123000000e-03  2.4499000000e-03 -2.4739000000e-03 -3.6930000000e-03 -5.3434000000e-03 -2.2281000000e-03 -4.9320000000e-04  1.3554000000e-03 -3.2322000000e-03  8.8308000000e-03  9.1290000000e-04 -1.4700000000e-03 -1.3235000000e-03 -9.2660000000e-04  4.3823000000e-03 -6.5334000000e-03
+
+JOB 37
+COORDS -5.5690000000e-01 -9.3093900000e-01  9.7549200000e-01 -1.4203080000e+00 -5.2458100000e-01  9.0043800000e-01 -2.7276500000e-01 -7.2791900000e-01  1.8667170000e+00  6.2942100000e-01  8.6224700000e-01 -1.0732130000e+00  6.5967000000e-01  1.7918730000e+00 -8.4713400000e-01 -6.6041000000e-02  5.0368400000e-01 -5.2185300000e-01
+ENERGY -1.526559165308e+02
+FORCES -1.2890000000e-04 -1.6260000000e-04  5.7426000000e-03  6.8975000000e-03  1.0389000000e-03 -2.4950000000e-03 -2.2108000000e-03 -8.3090000000e-04 -4.2408000000e-03 -2.8885000000e-03 -2.9189000000e-03  6.5740000000e-03 -5.6140000000e-04 -3.8029000000e-03  1.4650000000e-04 -1.1079000000e-03  6.6764000000e-03 -5.7273000000e-03
+
+JOB 38
+COORDS -1.8108600000e-01  1.0165190000e+00  1.0816330000e+00 -3.2613000000e-01  4.0272700000e-01  1.8016710000e+00 -9.3734900000e-01  1.6026070000e+00  1.1098660000e+00  2.1506100000e-01 -1.0737500000e+00 -1.1523880000e+00  3.2552500000e-01 -9.6384400000e-01 -2.0795700000e-01  3.5838300000e-01 -1.9921400000e-01 -1.5141560000e+00
+ENERGY -1.526569677104e+02
+FORCES -5.3052000000e-03  8.5330000000e-04  2.5151000000e-03  1.3908000000e-03  1.3055000000e-03 -4.8073000000e-03  3.6239000000e-03 -2.2816000000e-03  2.7820000000e-04  2.2170000000e-04  9.0681000000e-03  5.3494000000e-03  3.2780000000e-04 -5.1181000000e-03 -1.5235000000e-03 -2.5900000000e-04 -3.8271000000e-03 -1.8119000000e-03
+
+JOB 39
+COORDS  1.4316460000e+00 -2.2922700000e-01 -4.9581800000e-01  1.6691590000e+00  4.6570400000e-01  1.1809700000e-01  1.4300420000e+00  1.9763100000e-01 -1.3525680000e+00 -1.4933890000e+00  1.2429500000e-01  5.4756700000e-01 -1.4648920000e+00  1.0715220000e+00  4.1273000000e-01 -7.3010200000e-01 -2.0839500000e-01  7.5400000000e-02
+ENERGY -1.526591065006e+02
+FORCES  5.2432000000e-03  4.3038000000e-03 -7.7360000000e-04 -2.5324000000e-03 -2.9857000000e-03 -3.7222000000e-03 -1.5336000000e-03 -1.6418000000e-03  4.8967000000e-03  6.8546000000e-03  4.4680000000e-04 -3.8469000000e-03  4.3650000000e-04 -2.9239000000e-03  6.0010000000e-04 -8.4682000000e-03  2.8008000000e-03  2.8459000000e-03
+
+JOB 40
+COORDS -1.0468880000e+00 -1.2066720000e+00 -9.5112000000e-02 -4.9385800000e-01 -1.8792460000e+00 -4.9264700000e-01 -4.5022300000e-01 -4.7962500000e-01  8.2722000000e-02  9.4319400000e-01  1.1539330000e+00  1.0582100000e-01  1.7562390000e+00  1.3094220000e+00  5.8646000000e-01  7.3480200000e-01  1.9988040000e+00 -2.9292300000e-01
+ENERGY -1.526613342339e+02
+FORCES  7.1267000000e-03  3.8099000000e-03 -5.7230000000e-04 -1.8811000000e-03  1.7087000000e-03  1.3532000000e-03 -6.4285000000e-03 -6.9590000000e-03 -6.6820000000e-04  2.6719000000e-03  4.8139000000e-03  3.6660000000e-04 -3.3997000000e-03  1.0430000000e-04 -2.7208000000e-03  1.9107000000e-03 -3.4778000000e-03  2.2415000000e-03
+
+JOB 41
+COORDS  9.9842500000e-01 -6.9750600000e-01 -8.9407000000e-01  1.9503110000e+00 -6.6943800000e-01 -7.9733000000e-01  8.5179100000e-01 -6.5241800000e-01 -1.8388960000e+00 -1.0456750000e+00  7.2393800000e-01  9.9839400000e-01 -3.4436100000e-01  1.9295000000e-01  6.2097800000e-01 -1.7456630000e+00  6.9565000000e-01  3.4612900000e-01
+ENERGY -1.526603849221e+02
+FORCES  3.8375000000e-03  4.4550000000e-04 -4.4986000000e-03 -4.3583000000e-03 -2.0670000000e-04 -9.9780000000e-04  1.1025000000e-03 -4.1150000000e-04  4.0845000000e-03  3.1243000000e-03 -4.2883000000e-03 -6.7736000000e-03 -5.3569000000e-03  3.9319000000e-03  6.0977000000e-03  1.6508000000e-03  5.2910000000e-04  2.0877000000e-03
+
+JOB 42
+COORDS  1.3654090000e+00  2.5118800000e-01  6.8442800000e-01  1.2469450000e+00 -2.5021300000e-01  1.4911460000e+00  1.5874770000e+00  1.1338210000e+00  9.8087000000e-01 -1.4018670000e+00 -2.4530900000e-01 -7.9002200000e-01 -5.1468000000e-01 -5.9921500000e-01 -8.5231800000e-01 -1.6735710000e+00 -4.3539600000e-01  1.0790600000e-01
+ENERGY -1.526563131918e+02
+FORCES  4.9020000000e-04  4.0630000000e-03  4.1456000000e-03 -7.7850000000e-04  1.7009000000e-03 -4.0712000000e-03 -3.7680000000e-04 -4.1828000000e-03 -4.3140000000e-04  6.8515000000e-03 -2.4680000000e-04  5.0960000000e-03 -5.9534000000e-03 -1.4935000000e-03 -1.9370000000e-03 -2.3310000000e-04  1.5920000000e-04 -2.8020000000e-03
+
+JOB 43
+COORDS -7.7459300000e-01  1.2975720000e+00 -4.3099700000e-01 -2.4501300000e-01  1.5768060000e+00  3.1586600000e-01 -1.5942170000e+00  1.7833600000e+00 -3.3902300000e-01  7.7396900000e-01 -1.4092740000e+00  3.9299900000e-01  8.1329200000e-01 -7.4197700000e-01  1.0781270000e+00  1.0306330000e+00 -9.4851600000e-01 -4.0578700000e-01
+ENERGY -1.526534036997e+02
+FORCES -2.9376000000e-03  2.7955000000e-03  3.3769000000e-03 -8.3440000000e-04 -2.6298000000e-03 -2.9277000000e-03  3.6702000000e-03 -2.0015000000e-03 -1.8100000000e-04 -1.8419000000e-03  6.3497000000e-03 -2.5428000000e-03  5.9080000000e-04 -1.6444000000e-03 -1.6413000000e-03  1.3529000000e-03 -2.8694000000e-03  3.9160000000e-03
+
+JOB 44
+COORDS  7.3495200000e-01 -9.4839400000e-01 -1.1332440000e+00  1.2274000000e-01 -4.5117500000e-01 -5.9084000000e-01  8.0309600000e-01 -1.7991770000e+00 -6.9993600000e-01 -7.1135000000e-01  9.1233700000e-01  1.0397690000e+00 -1.2528480000e+00  1.2615290000e+00  1.7476370000e+00 -5.3210000000e-03  1.5509770000e+00  9.4030100000e-01
+ENERGY -1.526600884191e+02
+FORCES -4.2836000000e-03 -5.9550000000e-04  5.8064000000e-03  5.6616000000e-03 -2.6159000000e-03 -5.5534000000e-03  9.3700000000e-05  2.5550000000e-03 -1.8744000000e-03 -8.0500000000e-04  4.7454000000e-03  4.0752000000e-03  3.0703000000e-03 -5.9550000000e-04 -2.6157000000e-03 -3.7370000000e-03 -3.4935000000e-03  1.6200000000e-04
+
+JOB 45
+COORDS  3.8787800000e-01  1.3529870000e+00 -8.7236600000e-01 -3.0591000000e-02  1.4266770000e+00 -1.7300860000e+00  2.9014900000e-01  4.3056300000e-01 -6.3611300000e-01 -3.3569200000e-01 -1.2536970000e+00  9.2979900000e-01 -1.2194080000e+00 -1.4033810000e+00  5.9383200000e-01  1.0519800000e-01 -2.0974000000e+00  8.2974100000e-01
+ENERGY -1.526582918848e+02
+FORCES -1.6526000000e-03 -5.2212000000e-03  5.9420000000e-04  1.0802000000e-03 -8.7750000000e-04  3.3942000000e-03  8.4010000000e-04  6.7147000000e-03 -6.1676000000e-03 -3.0831000000e-03 -6.0493000000e-03  2.2155000000e-03  5.0308000000e-03  1.0818000000e-03  2.0260000000e-04 -2.2155000000e-03  4.3514000000e-03 -2.3880000000e-04
+
+JOB 46
+COORDS -7.7365400000e-01 -4.2488000000e-02 -1.4678060000e+00 -2.2133900000e-01 -4.4346700000e-01 -2.1389210000e+00 -1.7440900000e-01  1.4783600000e-01 -7.4606300000e-01  7.0977100000e-01  1.0340700000e-01  1.4226110000e+00  5.8901600000e-01  1.5530200000e-01  2.3707440000e+00  8.0296200000e-01 -8.3223900000e-01  1.2434090000e+00
+ENERGY -1.526584201320e+02
+FORCES  4.5369000000e-03  1.5892000000e-03  2.1904000000e-03 -1.8068000000e-03  9.6000000000e-04  3.1758000000e-03 -2.6827000000e-03 -3.8319000000e-03 -7.1491000000e-03 -8.5030000000e-04 -2.7772000000e-03  6.4567000000e-03  1.3127000000e-03 -1.1055000000e-03 -3.7215000000e-03 -5.0990000000e-04  5.1654000000e-03 -9.5230000000e-04
+
+JOB 47
+COORDS  5.2940000000e-03 -1.0719720000e+00  1.1575070000e+00 -6.9197600000e-01 -9.4739700000e-01  1.8013440000e+00  3.1803000000e-01 -1.9633740000e+00  1.3118810000e+00  3.5708000000e-02  1.1746550000e+00 -1.1768940000e+00  9.6108000000e-02  2.8559100000e-01 -8.2739700000e-01 -2.9985200000e-01  1.0606950000e+00 -2.0660750000e+00
+ENERGY -1.526593059338e+02
+FORCES -1.8943000000e-03 -2.8040000000e-03  5.5980000000e-03  3.2391000000e-03 -1.6773000000e-03 -2.4619000000e-03 -1.7025000000e-03  3.8647000000e-03 -6.8590000000e-04 -6.1280000000e-04 -5.5323000000e-03  6.5710000000e-04 -1.6580000000e-04  6.0856000000e-03 -6.4426000000e-03  1.1363000000e-03  6.3300000000e-05  3.3355000000e-03
+
+JOB 48
+COORDS  1.6613830000e+00 -1.3566000000e-02 -2.8177300000e-01  1.2507200000e+00  4.5247700000e-01 -1.0100530000e+00  1.7481870000e+00 -9.1490100000e-01 -5.9208200000e-01 -1.7122720000e+00  2.2687000000e-02  3.6011000000e-01 -1.1826840000e+00  7.8072100000e-01  6.0740200000e-01 -1.1449120000e+00 -4.8846000000e-01 -2.1700600000e-01
+ENERGY -1.526551289593e+02
+FORCES  1.7421000000e-03 -1.9685000000e-03 -4.4705000000e-03 -6.8700000000e-05 -2.6126000000e-03  4.4496000000e-03 -1.5801000000e-03  4.2740000000e-03  1.2811000000e-03  7.2682000000e-03  6.3920000000e-04  5.7120000000e-04 -3.8356000000e-03 -1.7165000000e-03 -1.7806000000e-03 -3.5259000000e-03  1.3844000000e-03 -5.0800000000e-05
+
+JOB 49
+COORDS -6.6898100000e-01 -1.5175260000e+00 -3.7472200000e-01 -4.7398900000e-01 -1.9949990000e+00 -1.1810900000e+00 -1.1820400000e-01 -1.9325430000e+00  2.8908400000e-01  5.8320300000e-01  1.5515720000e+00  3.4737700000e-01  7.2300600000e-01  1.4353050000e+00  1.2871480000e+00  1.3991660000e+00  1.9379660000e+00  2.9358000000e-02
+ENERGY -1.526515152187e+02
+FORCES  4.0001000000e-03 -1.9204000000e-03 -7.3470000000e-04 -8.7800000000e-04  1.8658000000e-03  3.1921000000e-03 -2.4278000000e-03  1.3028000000e-03 -2.1560000000e-03  3.0960000000e-03  4.1880000000e-04  2.4228000000e-03 -3.4150000000e-04  2.3050000000e-04 -3.7509000000e-03 -3.4488000000e-03 -1.8974000000e-03  1.0267000000e-03
+
+JOB 50
+COORDS -9.7603500000e-01  1.2595580000e+00 -7.4248200000e-01 -7.9684300000e-01  1.5034740000e+00 -1.6505720000e+00 -3.0518400000e-01  1.7158670000e+00 -2.3457200000e-01  9.6492400000e-01 -1.3580210000e+00  7.7157900000e-01  1.2529910000e+00 -4.4559000000e-01  7.4478500000e-01  9.7320000000e-03 -1.3093410000e+00  7.3323300000e-01
+ENERGY -1.526553741625e+02
+FORCES  2.7043000000e-03  3.9766000000e-03 -3.4312000000e-03 -7.7670000000e-04 -6.8270000000e-04  4.1687000000e-03 -2.0482000000e-03 -3.5097000000e-03 -1.4223000000e-03 -4.5535000000e-03  4.4484000000e-03 -1.7491000000e-03 -6.5000000000e-06 -2.5761000000e-03  6.9960000000e-04  4.6805000000e-03 -1.6564000000e-03  1.7343000000e-03
+
+JOB 51
+COORDS  1.2214210000e+00 -9.8717400000e-01 -9.0947400000e-01  5.4531600000e-01 -1.2606530000e+00 -2.8953500000e-01  2.0149740000e+00 -1.4310880000e+00 -6.1039900000e-01 -1.1972200000e+00  1.0802410000e+00  8.6530900000e-01 -1.8163360000e+00  8.6796700000e-01  1.6683400000e-01 -1.1421070000e+00  2.8050200000e-01  1.3883890000e+00
+ENERGY -1.526525564356e+02
+FORCES  6.7460000000e-04 -1.6682000000e-03  4.2016000000e-03  1.9873000000e-03 -1.1910000000e-04 -2.3559000000e-03 -3.4153000000e-03  1.8409000000e-03 -1.1568000000e-03 -2.3387000000e-03 -2.7435000000e-03 -1.2432000000e-03  2.5701000000e-03  3.7310000000e-04  3.4797000000e-03  5.2200000000e-04  2.3168000000e-03 -2.9253000000e-03
+
+JOB 52
+COORDS -7.9411200000e-01 -2.4173700000e-01  1.5536440000e+00 -1.5183340000e+00 -8.0924600000e-01  1.8175920000e+00 -2.1890800000e-01 -2.1536600000e-01  2.3182860000e+00  8.6222700000e-01  2.7383900000e-01 -1.6268340000e+00  2.0731300000e-01 -3.7094600000e-01 -1.8943650000e+00  3.8117400000e-01  8.8908700000e-01 -1.0734000000e+00
+ENERGY -1.526563101905e+02
+FORCES  7.0600000000e-05 -2.8190000000e-03  5.0292000000e-03  3.0436000000e-03  2.2915000000e-03 -1.2787000000e-03 -2.9021000000e-03  2.6300000000e-05 -2.9136000000e-03 -5.7939000000e-03 -8.5110000000e-04  3.7584000000e-03  2.6783000000e-03  2.2413000000e-03 -4.3540000000e-04  2.9035000000e-03 -8.8910000000e-04 -4.1599000000e-03
+
+JOB 53
+COORDS  4.2997500000e-01  1.7860410000e+00 -3.1639200000e-01  1.0669130000e+00  1.5220010000e+00  3.4755400000e-01 -4.2133800000e-01  1.6373910000e+00  9.5191000000e-02 -4.0185200000e-01 -1.7024280000e+00  2.8228300000e-01  3.5630000000e-02 -2.2075080000e+00 -4.0308900000e-01 -1.1343120000e+00 -2.2542430000e+00  5.5657000000e-01
+ENERGY -1.526556707953e+02
+FORCES -1.6360000000e-03 -4.4223000000e-03  4.8488000000e-03 -1.5945000000e-03  2.2812000000e-03 -2.6469000000e-03  2.9282000000e-03  2.7697000000e-03 -1.5757000000e-03 -7.0690000000e-04 -4.7337000000e-03 -2.8813000000e-03 -1.9170000000e-03  1.4301000000e-03  3.3499000000e-03  2.9263000000e-03  2.6750000000e-03 -1.0948000000e-03
+
+JOB 54
+COORDS  1.2546860000e+00  1.4237690000e+00  9.0586000000e-02  5.3716800000e-01  8.9662000000e-01  4.4203100000e-01  1.4554620000e+00  1.0225430000e+00 -7.5495500000e-01 -1.2511990000e+00 -1.3738170000e+00 -1.0584000000e-02 -7.7390100000e-01 -2.0962940000e+00 -4.1856100000e-01 -1.2536840000e+00 -6.8322400000e-01 -6.7338600000e-01
+ENERGY -1.526552957821e+02
+FORCES -1.7324000000e-03 -4.5641000000e-03 -4.4810000000e-04  3.2707000000e-03  4.0832000000e-03 -3.1597000000e-03 -1.4423000000e-03  1.5651000000e-03  2.9205000000e-03 -4.5800000000e-05 -2.5220000000e-03 -5.0761000000e-03 -1.9655000000e-03  3.6822000000e-03  1.6583000000e-03  1.9153000000e-03 -2.2445000000e-03  4.1052000000e-03
+
+JOB 55
+COORDS -7.9482100000e-01  1.5856330000e+00  7.9005500000e-01  1.4421900000e-01  1.4535030000e+00  6.5975900000e-01 -1.1794880000e+00  1.4432500000e+00 -7.4810000000e-02  8.1767200000e-01 -1.5341030000e+00 -7.5257700000e-01 -6.3882000000e-02 -1.4866120000e+00 -1.1224940000e+00  7.6860600000e-01 -2.2372150000e+00 -1.0492200000e-01
+ENERGY -1.526556638245e+02
+FORCES  3.6614000000e-03 -1.6785000000e-03 -4.3499000000e-03 -4.4299000000e-03  2.0106000000e-03  1.2241000000e-03  6.8100000000e-04  2.4950000000e-04  3.2559000000e-03 -3.9819000000e-03 -4.0467000000e-03  1.6639000000e-03  3.6738000000e-03  6.8590000000e-04  1.2308000000e-03  3.9550000000e-04  2.7791000000e-03 -3.0248000000e-03
+
+JOB 56
+COORDS -3.1719400000e-01 -7.6000000000e-02 -1.8557200000e+00 -3.5653400000e-01 -9.8745900000e-01 -1.5660180000e+00 -2.0692000000e-02 -1.2561200000e-01 -2.7644860000e+00  3.3707700000e-01  1.6519500000e-01  1.9374250000e+00  6.5652900000e-01 -2.3027000000e-01  1.1263830000e+00 -6.0168200000e-01 -2.1734000000e-02  1.9420510000e+00
+ENERGY -1.526546290876e+02
+FORCES  6.8480000000e-04 -3.3771000000e-03 -4.6908000000e-03  7.5860000000e-04  4.3436000000e-03  4.1050000000e-04 -1.4268000000e-03  3.3400000000e-05  3.9499000000e-03 -2.7530000000e-03 -8.1520000000e-04 -4.7522000000e-03 -1.0530000000e-03 -2.1750000000e-04  4.5501000000e-03  3.7895000000e-03  3.2800000000e-05  5.3240000000e-04
+
+JOB 57
+COORDS -2.4054000000e-02  8.0767800000e-01 -1.7760560000e+00  9.0523000000e-02  1.7569170000e+00 -1.8213200000e+00 -1.3200000000e-01  6.2319900000e-01 -8.4302500000e-01  2.6764000000e-02 -8.1601000000e-01  1.6633600000e+00  6.4075500000e-01 -1.4662090000e+00  2.0046640000e+00 -6.7731900000e-01 -7.8752100000e-01  2.3111930000e+00
+ENERGY -1.526575693139e+02
+FORCES  2.7610000000e-04  1.8795000000e-03  4.9923000000e-03 -5.0070000000e-04 -3.4620000000e-03  8.4100000000e-05 -1.6330000000e-04  2.8317000000e-03 -6.4554000000e-03  2.0020000000e-04 -4.0068000000e-03  4.8475000000e-03 -2.9047000000e-03  2.7383000000e-03 -7.6030000000e-04  3.0924000000e-03  1.9200000000e-05 -2.7083000000e-03
+
+JOB 58
+COORDS -5.7060000000e-03 -1.9536470000e+00  1.3677400000e-01 -2.3459300000e-01 -1.0960600000e+00 -2.2153600000e-01 -2.8454800000e-01 -2.5764090000e+00 -5.3452800000e-01  3.2987000000e-02  1.9521590000e+00 -1.4916500000e-01 -3.3942100000e-01  1.1975690000e+00  3.0705500000e-01  3.8247100000e-01  2.5061180000e+00  5.4884700000e-01
+ENERGY -1.526537869742e+02
+FORCES -1.4744000000e-03  4.0700000000e-05 -5.7972000000e-03 -2.2170000000e-04 -2.0050000000e-03  3.9072000000e-03  1.2238000000e-03  2.3925000000e-03  3.0539000000e-03  6.2460000000e-04  6.5310000000e-04  6.2463000000e-03  1.5584000000e-03  8.6820000000e-04 -4.1818000000e-03 -1.7106000000e-03 -1.9496000000e-03 -3.2283000000e-03
+
+JOB 59
+COORDS  7.7135700000e-01  1.6725800000e+00  8.5033200000e-01  1.6464580000e+00  1.3940350000e+00  5.8044100000e-01  2.0848100000e-01  1.4463020000e+00  1.0992600000e-01 -7.5080300000e-01 -1.5854810000e+00 -8.1411600000e-01 -8.3757500000e-01 -1.9189900000e+00  7.8898000000e-02 -1.2623880000e+00 -2.1932830000e+00 -1.3480540000e+00
+ENERGY -1.526567168108e+02
+FORCES  8.5970000000e-04 -2.7983000000e-03 -5.1352000000e-03 -3.0409000000e-03  1.4339000000e-03  1.5245000000e-03  2.6037000000e-03  2.5165000000e-03  3.8399000000e-03 -2.7900000000e-03 -4.7098000000e-03  1.5949000000e-03  2.4280000000e-04  1.1542000000e-03 -4.1808000000e-03  2.1246000000e-03  2.4035000000e-03  2.3567000000e-03
+
+JOB 60
+COORDS -1.3962740000e+00 -1.2059010000e+00 -9.1490800000e-01 -2.1798290000e+00 -8.6584500000e-01 -4.8289300000e-01 -7.6812000000e-01 -1.3364830000e+00 -2.0455400000e-01  1.3417370000e+00  1.1680730000e+00  8.7709200000e-01  2.1604230000e+00  1.3188910000e+00  1.3495760000e+00  1.5228420000e+00  1.4603850000e+00 -1.6208000000e-02
+ENERGY -1.526562872796e+02
+FORCES -3.5000000000e-05  1.4696000000e-03  5.5748000000e-03  2.6655000000e-03 -1.5719000000e-03 -2.0069000000e-03 -3.2985000000e-03 -7.3520000000e-04 -3.6885000000e-03  4.3895000000e-03  2.6409000000e-03 -2.0601000000e-03 -3.3900000000e-03 -6.6180000000e-04 -2.0086000000e-03 -3.3160000000e-04 -1.1416000000e-03  4.1893000000e-03
+
+JOB 61
+COORDS -3.1011400000e-01  2.0317000000e+00 -1.6731100000e-01  5.8446500000e-01  2.2450760000e+00  9.8079000000e-02 -7.3956100000e-01  1.7506510000e+00  6.4066000000e-01  3.1409200000e-01 -1.9685930000e+00  9.4699000000e-02  3.3524300000e-01 -2.6398280000e+00  7.7677500000e-01 -2.8448300000e-01 -2.3167510000e+00 -5.6615300000e-01
+ENERGY -1.526543722700e+02
+FORCES  2.5950000000e-03 -2.0911000000e-03  4.5042000000e-03 -3.6003000000e-03  5.9800000000e-05 -1.0120000000e-03  1.1195000000e-03  2.1614000000e-03 -3.0027000000e-03 -2.5490000000e-03 -4.1904000000e-03 -9.7140000000e-04 -8.7700000000e-05  3.1328000000e-03 -2.5777000000e-03  2.5225000000e-03  9.2760000000e-04  3.0596000000e-03
+
+JOB 62
+COORDS -1.9672870000e+00 -5.5526900000e-01  7.2856400000e-01 -1.7088760000e+00  3.5240900000e-01  5.6864100000e-01 -1.1466840000e+00 -1.0471730000e+00  6.9903700000e-01  1.8888630000e+00  5.2705700000e-01 -6.5976400000e-01  1.3823250000e+00  1.7624300000e-01 -1.3922810000e+00  2.6350340000e+00  9.6328400000e-01 -1.0710620000e+00
+ENERGY -1.526556425125e+02
+FORCES  5.2066000000e-03  2.1344000000e-03  2.4970000000e-04 -1.9300000000e-03 -3.8107000000e-03  1.2870000000e-04 -4.0448000000e-03  1.4040000000e-03 -5.6420000000e-04  2.3917000000e-03  7.5300000000e-04 -5.1299000000e-03  1.5804000000e-03  1.3901000000e-03  3.7777000000e-03 -3.2040000000e-03 -1.8708000000e-03  1.5381000000e-03
+
+JOB 63
+COORDS  3.8512400000e-01  8.9667200000e-01  1.8389690000e+00  1.8349800000e-01  1.5311470000e+00  1.1512040000e+00  6.9544300000e-01  1.4280240000e+00  2.5721810000e+00 -3.6430800000e-01 -9.0365900000e-01 -1.8689420000e+00 -1.3037400000e+00 -1.0696020000e+00 -1.7904350000e+00  4.8605000000e-02 -1.6583800000e+00 -1.4492640000e+00
+ENERGY -1.526551962229e+02
+FORCES  5.2200000000e-04  4.8587000000e-03 -6.6480000000e-04  7.1260000000e-04 -2.0556000000e-03  3.8633000000e-03 -1.2597000000e-03 -2.1880000000e-03 -2.9529000000e-03 -1.8255000000e-03 -4.2083000000e-03  2.8369000000e-03  3.6850000000e-03  8.6480000000e-04 -5.8910000000e-04 -1.8344000000e-03  2.7284000000e-03 -2.4934000000e-03
+
+JOB 64
+COORDS  1.1641840000e+00 -2.6275500000e-01  1.7234970000e+00  2.0178090000e+00 -6.8746200000e-01  1.6387680000e+00  1.3381110000e+00  6.6235100000e-01  1.5498270000e+00 -1.2456190000e+00  2.8541600000e-01 -1.6599510000e+00 -1.2137970000e+00 -6.6397400000e-01 -1.5421450000e+00 -9.1704800000e-01  4.2824900000e-01 -2.5475720000e+00
+ENERGY -1.526544015477e+02
+FORCES  3.6806000000e-03  2.9312000000e-03 -1.3615000000e-03 -3.5243000000e-03  1.4902000000e-03  1.5910000000e-04  3.5200000000e-05 -3.9336000000e-03  1.3486000000e-03  1.4437000000e-03 -3.9801000000e-03 -2.3100000000e-03 -5.1530000000e-04  3.9007000000e-03 -1.4839000000e-03 -1.1199000000e-03 -4.0830000000e-04  3.6477000000e-03
+
+JOB 65
+COORDS -1.0313680000e+00  6.5370400000e-01  1.7804640000e+00 -4.4944700000e-01  1.4008900000e+00  1.6414940000e+00 -5.1624700000e-01  4.3166000000e-02  2.3078400000e+00  9.9001800000e-01 -6.2358000000e-01 -1.7684540000e+00  1.5017800000e-01 -1.0424850000e+00 -1.5802530000e+00  1.2854000000e+00 -1.0328110000e+00 -2.5817870000e+00
+ENERGY -1.526553738854e+02
+FORCES  5.1714000000e-03  1.0156000000e-03  1.3594000000e-03 -2.7777000000e-03 -2.8610000000e-03  1.1644000000e-03 -2.4168000000e-03  2.2636000000e-03 -2.0158000000e-03 -2.8798000000e-03 -3.2308000000e-03 -2.4388000000e-03  4.0856000000e-03  1.1832000000e-03 -1.3899000000e-03 -1.1826000000e-03  1.6294000000e-03  3.3207000000e-03
+
+JOB 66
+COORDS -3.6692800000e-01  1.5083290000e+00  1.4209440000e+00 -2.5817800000e-01  2.3967810000e+00  1.7601460000e+00 -8.6998100000e-01  1.0534590000e+00  2.0964170000e+00  4.3098800000e-01 -1.5628100000e+00 -1.4324630000e+00  3.3990500000e-01 -6.2231000000e-01 -1.5854230000e+00 -1.3801800000e-01 -1.9685430000e+00 -2.0865620000e+00
+ENERGY -1.526550112797e+02
+FORCES -1.4851000000e-03  1.2316000000e-03  4.8210000000e-03 -4.8970000000e-04 -3.6266000000e-03 -1.5169000000e-03  1.8557000000e-03  2.3937000000e-03 -2.6512000000e-03 -2.6505000000e-03  3.1939000000e-03 -2.5696000000e-03  5.6090000000e-04 -4.6710000000e-03 -7.0980000000e-04  2.2086000000e-03  1.4785000000e-03  2.6265000000e-03
+
+JOB 67
+COORDS -3.3671900000e-01  8.8975000000e-01 -1.9966650000e+00 -1.1383900000e+00  1.0164800000e+00 -1.4892250000e+00  1.8167600000e-01  1.6762930000e+00 -1.8268170000e+00  3.0258500000e-01 -9.8110600000e-01  1.9711350000e+00  1.0467090000e+00 -1.1895530000e+00  1.4062800000e+00  4.7575500000e-01 -9.0926000000e-02  2.2774430000e+00
+ENERGY -1.526544521550e+02
+FORCES -1.9328000000e-03  3.4373000000e-03  2.7471000000e-03  3.4626000000e-03  2.9800000000e-05 -2.4424000000e-03 -1.8167000000e-03 -3.3393000000e-03 -4.0180000000e-04  4.0497000000e-03  2.3629000000e-03 -1.7338000000e-03 -2.8098000000e-03  8.3770000000e-04  3.0714000000e-03 -9.5310000000e-04 -3.3284000000e-03 -1.2405000000e-03
+
+JOB 68
+COORDS  2.1194400000e-01  2.0730580000e+00  9.5603200000e-01 -6.7442900000e-01  2.3779410000e+00  7.6206700000e-01  5.7956600000e-01  1.8451300000e+00  1.0213800000e-01 -1.8384800000e-01 -2.1238820000e+00 -9.4822600000e-01  4.9471500000e-01 -1.4984000000e+00 -6.9414500000e-01 -9.0371600000e-01 -1.9573760000e+00 -3.3970600000e-01
+ENERGY -1.526545164943e+02
+FORCES -2.1430000000e-03  1.8382000000e-03 -4.2687000000e-03  3.7446000000e-03 -1.6218000000e-03  8.9340000000e-04 -1.5408000000e-03 -1.5490000000e-04  3.8257000000e-03 -3.8500000000e-05  2.7226000000e-03  4.4331000000e-03 -2.7421000000e-03 -2.0901000000e-03 -1.8914000000e-03  2.7199000000e-03 -6.9400000000e-04 -2.9922000000e-03
+
+JOB 69
+COORDS -9.1883600000e-01  1.6954340000e+00 -1.1368860000e+00 -1.2808750000e+00  2.2554820000e+00 -4.5022200000e-01 -8.4669900000e-01  2.2681150000e+00 -1.9004730000e+00  9.1336600000e-01 -1.8062980000e+00  1.1650770000e+00  6.9207900000e-01 -8.8501200000e-01  1.3010830000e+00  1.5947250000e+00 -1.7927540000e+00  4.9291800000e-01
+ENERGY -1.526549325309e+02
+FORCES -1.8940000000e-03  4.8508000000e-03 -1.0085000000e-03  1.9082000000e-03 -2.4888000000e-03 -2.6004000000e-03 -2.5240000000e-04 -2.3240000000e-03  3.2505000000e-03  1.2156000000e-03  4.4289000000e-03 -3.2385000000e-03  1.2472000000e-03 -3.9749000000e-03  6.2790000000e-04 -2.2246000000e-03 -4.9190000000e-04  2.9690000000e-03
+
+JOB 70
+COORDS -1.6784000000e-02  2.1861210000e+00  9.6644000000e-01 -4.7245000000e-01  2.2150480000e+00  1.2515300000e-01  8.7307900000e-01  2.4773440000e+00  7.6753000000e-01  4.5140000000e-02 -2.1678330000e+00 -9.3285200000e-01 -6.3296600000e-01 -1.9414610000e+00 -2.9633000000e-01 -2.0107000000e-01 -3.0380010000e+00 -1.2465720000e+00
+ENERGY -1.526548058198e+02
+FORCES  2.3678000000e-03  1.1669000000e-03 -4.5700000000e-03  1.4764000000e-03 -7.4800000000e-05  3.6683000000e-03 -3.7160000000e-03 -8.1050000000e-04  9.6710000000e-04 -3.6592000000e-03 -2.6426000000e-03  1.8978000000e-03  2.5403000000e-03 -1.1978000000e-03 -3.1918000000e-03  9.9080000000e-04  3.5588000000e-03  1.2287000000e-03
+
+JOB 71
+COORDS  1.7356630000e+00  1.5419940000e+00 -7.2444100000e-01  2.0073780000e+00  2.3428990000e+00 -2.7616300000e-01  1.8956300000e+00  8.4485900000e-01 -8.8324000000e-02 -1.7241090000e+00 -1.5474450000e+00  6.1770900000e-01 -1.9629980000e+00 -2.3118640000e+00  1.1419480000e+00 -2.1319130000e+00 -8.0912500000e-01  1.0702710000e+00
+ENERGY -1.526541492376e+02
+FORCES  1.5401000000e-03 -2.8860000000e-04  4.3008000000e-03 -1.2224000000e-03 -3.1732000000e-03 -1.7690000000e-03 -1.1880000000e-04  3.4442000000e-03 -2.4552000000e-03 -3.1486000000e-03  5.1100000000e-05  3.5804000000e-03  1.1428000000e-03  3.1833000000e-03 -2.1121000000e-03  1.8068000000e-03 -3.2168000000e-03 -1.5448000000e-03
+
+JOB 72
+COORDS  3.4234600000e-01  2.0929420000e+00 -1.1569670000e+00 -1.0363900000e-01  2.5277350000e+00 -1.8837990000e+00  1.2524970000e+00  2.0185510000e+00 -1.4438870000e+00 -3.5617000000e-01 -2.1547030000e+00  1.1655950000e+00 -6.5237100000e-01 -1.2469610000e+00  1.0985040000e+00 -2.7199200000e-01 -2.3107770000e+00  2.1062260000e+00
+ENERGY -1.526551901207e+02
+FORCES  2.1517000000e-03  1.4594000000e-03 -4.5480000000e-03  1.8375000000e-03 -1.7107000000e-03  3.0197000000e-03 -3.7879000000e-03  5.4810000000e-04  1.1948000000e-03 -8.6020000000e-04  3.7231000000e-03  3.1525000000e-03  9.5790000000e-04 -4.5260000000e-03  8.7330000000e-04 -2.9900000000e-04  5.0610000000e-04 -3.6924000000e-03
+
+JOB 73
+COORDS  1.0956900000e+00 -7.2355400000e-01 -2.0855980000e+00  1.5356540000e+00 -9.3456700000e-01 -1.2621070000e+00  1.7124520000e+00 -1.5676500000e-01 -2.5488320000e+00 -1.0910510000e+00  6.9735000000e-01  2.0421100000e+00 -1.8099290000e+00  1.2392870000e+00  1.7169190000e+00 -1.4421210000e+00  2.7971000000e-01  2.8285950000e+00
+ENERGY -1.526544379452e+02
+FORCES  4.0246000000e-03  1.6799000000e-03  2.3129000000e-03 -1.2742000000e-03  4.7020000000e-04 -3.9510000000e-03 -2.4761000000e-03 -2.2813000000e-03  1.6716000000e-03 -4.7343000000e-03  5.0830000000e-04  1.4043000000e-03  2.9075000000e-03 -2.0587000000e-03  1.7132000000e-03  1.5525000000e-03  1.6817000000e-03 -3.1510000000e-03
+
+JOB 74
+COORDS  7.7858300000e-01  1.5250130000e+00  1.8553170000e+00  1.3289160000e+00  8.7488700000e-01  1.4186240000e+00  4.8485000000e-02  1.0199320000e+00  2.2132020000e+00 -7.5604300000e-01 -1.4993640000e+00 -1.9031000000e+00 -1.4957480000e+00 -9.0983900000e-01 -1.7563720000e+00 -1.9279600000e-01 -1.3723080000e+00 -1.1396590000e+00
+ENERGY -1.526534814167e+02
+FORCES -1.5430000000e-04 -4.2175000000e-03  5.3190000000e-04 -2.9104000000e-03  2.3654000000e-03  1.3961000000e-03  2.9708000000e-03  1.9042000000e-03 -2.1144000000e-03 -9.3590000000e-04  3.2311000000e-03  3.2536000000e-03  3.0984000000e-03 -2.7085000000e-03 -4.2850000000e-04 -2.0687000000e-03 -5.7470000000e-04 -2.6388000000e-03
+
+JOB 75
+COORDS -1.3152590000e+00 -1.3865050000e+00 -1.6197090000e+00 -6.2464200000e-01 -1.7998480000e+00 -2.1378100000e+00 -1.7113530000e+00 -2.1069660000e+00 -1.1295270000e+00  1.3094360000e+00  1.3930540000e+00  1.5933260000e+00  1.4331030000e+00  2.2686820000e+00  1.2269730000e+00  9.5062600000e-01  1.5470340000e+00  2.4672700000e+00
+ENERGY -1.526536633531e+02
+FORCES  1.8475000000e-03 -4.4185000000e-03  4.8010000000e-04 -3.0248000000e-03  1.5570000000e-03  1.7778000000e-03  1.3411000000e-03  2.8203000000e-03 -2.1330000000e-03 -1.5356000000e-03  4.1980000000e-03  1.6094000000e-03 -2.2200000000e-04 -3.4797000000e-03  1.6680000000e-03  1.5938000000e-03 -6.7710000000e-04 -3.4022000000e-03
+
+JOB 76
+COORDS -2.8076200000e-01  9.2039400000e-01 -2.3600380000e+00 -1.0384880000e+00  1.0414480000e+00 -2.9322520000e+00 -6.2907000000e-01  1.0268510000e+00 -1.4748370000e+00  3.4859100000e-01 -8.8621100000e-01  2.3771710000e+00  9.5397800000e-01 -1.6262690000e+00  2.3318590000e+00 -3.1412700000e-01 -1.0772910000e+00  1.7134500000e+00
+ENERGY -1.526541730992e+02
+FORCES -4.3069000000e-03  1.6154000000e-03  1.1980000000e-03  3.1040000000e-03 -6.4430000000e-04  2.4203000000e-03  1.1418000000e-03 -1.0955000000e-03 -3.7171000000e-03  2.8040000000e-04 -4.2440000000e-03 -2.8453000000e-03 -2.6175000000e-03  3.0069000000e-03  3.7790000000e-04  2.3982000000e-03  1.3616000000e-03  2.5662000000e-03
+
+JOB 77
+COORDS -2.1779430000e+00  5.1777300000e-01 -1.4186180000e+00 -1.2769580000e+00  7.0752000000e-01 -1.6802560000e+00 -2.5996080000e+00  1.3757430000e+00 -1.3704650000e+00  2.1754850000e+00 -5.4325000000e-01  1.4724130000e+00  1.5821760000e+00 -3.0945100000e-01  7.5858200000e-01  2.2751480000e+00 -1.4925260000e+00  1.4004700000e+00
+ENERGY -1.526540416348e+02
+FORCES  1.2869000000e-03  4.7141000000e-03 -1.1293000000e-03 -3.2224000000e-03 -1.2127000000e-03  1.5767000000e-03  1.8194000000e-03 -3.6208000000e-03 -2.7290000000e-04 -2.4059000000e-03 -3.2729000000e-03 -2.9028000000e-03  2.7395000000e-03 -5.4990000000e-04  2.4827000000e-03 -2.1750000000e-04  3.9423000000e-03  2.4560000000e-04
+
+JOB 78
+COORDS  7.5233800000e-01  1.9937110000e+00 -1.7596520000e+00  9.3282200000e-01  2.5543850000e+00 -1.0051300000e+00  2.3902700000e-01  2.5445780000e+00 -2.3506590000e+00 -7.7699200000e-01 -2.0253450000e+00  1.7015370000e+00  5.7840000000e-03 -1.5983020000e+00  2.0495710000e+00 -8.5274600000e-01 -2.8353980000e+00  2.2058270000e+00
+ENERGY -1.526537282656e+02
+FORCES -1.7946000000e-03  4.3628000000e-03  6.3900000000e-04 -5.3520000000e-04 -2.3076000000e-03 -2.9852000000e-03  2.2324000000e-03 -2.1386000000e-03  2.3589000000e-03  3.1430000000e-03 -1.4776000000e-03  3.0852000000e-03 -3.2876000000e-03 -1.7441000000e-03 -1.0627000000e-03  2.4200000000e-04  3.3053000000e-03 -2.0351000000e-03
+
+JOB 79
+COORDS  3.1064000000e-01 -1.7394210000e+00 -2.4342400000e+00  3.2380000000e-01 -8.2585200000e-01 -2.1488470000e+00  4.2998600000e-01 -1.6962070000e+00 -3.3829870000e+00 -3.0032700000e-01  1.6966330000e+00  2.4116740000e+00 -1.1475840000e+00  1.3759150000e+00  2.7207490000e+00  2.1314500000e-01  1.8250250000e+00  3.2092290000e+00
+ENERGY -1.526545530164e+02
+FORCES  5.9830000000e-04  4.1534000000e-03 -2.3697000000e-03 -9.1800000000e-05 -3.9469000000e-03 -1.5825000000e-03 -4.9170000000e-04 -2.3280000000e-04  3.7792000000e-03 -1.3500000000e-03 -9.5590000000e-04  4.7057000000e-03  3.4552000000e-03  1.4290000000e-03 -1.2854000000e-03 -2.1199000000e-03 -4.4680000000e-04 -3.2473000000e-03
+
+JOB 80
+COORDS  4.1066300000e-01 -2.7516800000e+00 -1.5816360000e+00 -3.6839400000e-01 -3.2854720000e+00 -1.4255310000e+00  7.7602900000e-01 -2.5996880000e+00 -7.1006400000e-01 -3.9116500000e-01  2.7013390000e+00  1.5313460000e+00 -1.0087720000e+00  3.3899910000e+00  1.7774170000e+00  3.1957200000e-01  3.1638460000e+00  1.0873050000e+00
+ENERGY -1.526543167475e+02
+FORCES -1.8640000000e-03 -1.2071000000e-03  4.4279000000e-03  3.1788000000e-03  2.0030000000e-03 -7.3540000000e-04 -1.3060000000e-03 -8.7880000000e-04 -3.6669000000e-03  3.4800000000e-04  4.7643000000e-03 -1.0258000000e-03  2.5141000000e-03 -2.8117000000e-03 -9.4790000000e-04 -2.8710000000e-03 -1.8697000000e-03  1.9480000000e-03
+
+JOB 81
+COORDS  4.7231000000e-02 -3.4494980000e+00  3.6155000000e-02 -9.0918500000e-01 -3.4447100000e+00  7.4592000000e-02  2.5080800000e-01 -3.7998130000e+00 -8.3106400000e-01 -5.7540000000e-03  3.5100170000e+00  5.6828000000e-02  2.6444400000e-01  3.5864770000e+00 -8.5825600000e-01 -3.1225100000e-01  2.6072160000e+00  1.4192700000e-01
+ENERGY -1.526541887847e+02
+FORCES -3.0223000000e-03 -1.8117000000e-03 -3.2679000000e-03  3.9403000000e-03  1.9080000000e-04 -2.1980000000e-04 -8.6340000000e-04  1.5796000000e-03  3.5242000000e-03  4.6900000000e-05 -3.5590000000e-03 -3.2582000000e-03 -1.1628000000e-03 -2.4150000000e-04  3.6611000000e-03  1.0613000000e-03  3.8418000000e-03 -4.3940000000e-04
+
+JOB 82
+COORDS  9.7082600000e-01 -8.9333900000e-01  3.2153970000e+00  1.5392430000e+00 -1.6612300000e-01  2.9618420000e+00  9.3542900000e-01 -8.4840900000e-01  4.1708870000e+00 -9.6020100000e-01  8.3134700000e-01 -3.2132370000e+00 -9.3659900000e-01  1.5173470000e+00 -3.8803800000e+00 -1.7990620000e+00  3.9138100000e-01 -3.3509880000e+00
+ENERGY -1.526539737271e+02
+FORCES  2.1754000000e-03  3.2717000000e-03  2.5681000000e-03 -2.2476000000e-03 -3.0012000000e-03  1.2702000000e-03  1.1570000000e-04 -2.1940000000e-04 -3.8523000000e-03 -3.4118000000e-03  8.2070000000e-04 -3.1683000000e-03 -4.8400000000e-05 -2.7511000000e-03  2.7369000000e-03  3.4167000000e-03  1.8793000000e-03  4.4550000000e-04
+
+JOB 83
+COORDS  2.3160100000e-01 -3.9634870000e+00  1.8178430000e+00 -3.2637900000e-01 -4.3217180000e+00  1.1275090000e+00  1.0628260000e+00 -4.4278920000e+00  1.7197340000e+00 -2.5532700000e-01  4.0338280000e+00 -1.7016410000e+00  5.4665800000e-01  3.7747730000e+00 -2.1554500000e+00 -9.3930000000e-01  3.9710140000e+00 -2.3683240000e+00
+ENERGY -1.526539308638e+02
+FORCES  1.0946000000e-03 -3.3013000000e-03 -3.1818000000e-03  2.2893000000e-03  1.4408000000e-03  2.7950000000e-03 -3.3886000000e-03  1.8867000000e-03  3.8060000000e-04  4.8520000000e-04 -1.3881000000e-03 -4.4848000000e-03 -3.2706000000e-03  1.0890000000e-03  1.8018000000e-03  2.7901000000e-03  2.7280000000e-04  2.6893000000e-03
+
+JOB 84
+COORDS -3.0919840000e+00 -2.7036810000e+00  2.7829890000e+00 -2.4295450000e+00 -2.4386230000e+00  2.1449050000e+00 -3.0745240000e+00 -2.0147570000e+00  3.4473010000e+00  3.0136930000e+00  2.6353060000e+00 -2.7422080000e+00  3.6091430000e+00  2.0643840000e+00 -3.2277180000e+00  3.2023250000e+00  3.5141760000e+00 -3.0712020000e+00
+ENERGY -1.526542334039e+02
+FORCES  2.8178000000e-03  3.9599000000e-03  4.4500000000e-05 -2.7272000000e-03 -1.1432000000e-03  2.6320000000e-03 -1.0340000000e-04 -2.8322000000e-03 -2.6590000000e-03  3.2270000000e-03  1.2911000000e-03 -3.3808000000e-03 -2.4413000000e-03  2.3147000000e-03  2.0058000000e-03 -7.7290000000e-04 -3.5903000000e-03  1.3575000000e-03
+
+JOB 85
+COORDS -2.8268520000e+00 -1.8016890000e+00 -3.9472470000e+00 -2.5519810000e+00 -1.9028470000e+00 -3.0359600000e+00 -2.1069120000e+00 -1.3280710000e+00 -4.3639060000e+00  2.8160630000e+00  1.8047040000e+00  3.8753730000e+00  1.9436400000e+00  1.4647130000e+00  3.6765870000e+00  2.8937790000e+00  1.7250740000e+00  4.8260830000e+00
+ENERGY -1.526540749010e+02
+FORCES  4.0940000000e-03  1.5225000000e-03  1.9649000000e-03 -1.1451000000e-03  4.1480000000e-04 -3.6745000000e-03 -2.9573000000e-03 -1.9380000000e-03  1.7180000000e-03 -3.2103000000e-03 -1.6634000000e-03  3.1605000000e-03  3.5485000000e-03  1.3537000000e-03  7.3400000000e-04 -3.2980000000e-04  3.1040000000e-04 -3.9029000000e-03
+
+JOB 86
+COORDS -4.7561710000e+00  1.0223940000e+00 -2.0525040000e+00 -5.0485370000e+00  9.3802700000e-01 -1.1449600000e+00 -4.3512550000e+00  1.8887080000e+00 -2.0946430000e+00  4.7082230000e+00 -1.1204360000e+00  1.9916450000e+00  4.4912230000e+00 -1.9154900000e-01  1.9121910000e+00  5.6226160000e+00 -1.1299260000e+00  2.2745350000e+00
+ENERGY -1.526540222725e+02
+FORCES  4.8670000000e-04  3.1326000000e-03  3.5483000000e-03  1.1756000000e-03  3.7800000000e-04 -3.7102000000e-03 -1.6548000000e-03 -3.5097000000e-03  1.6740000000e-04  2.8653000000e-03  3.7208000000e-03  7.9340000000e-04  8.6650000000e-04 -3.7716000000e-03  3.4480000000e-04 -3.7392000000e-03  4.9900000000e-05 -1.1438000000e-03
+
+JOB 87
+COORDS -3.2333740000e+00 -3.7960330000e+00 -7.0142230000e+00 -2.8848280000e+00 -3.6630740000e+00 -7.8957380000e+00 -2.6359660000e+00 -3.3116830000e+00 -6.4443640000e+00  3.2247930000e+00  3.8054200000e+00  7.0230480000e+00  2.3836420000e+00  3.8897820000e+00  7.4720240000e+00  3.2328230000e+00  2.9060670000e+00  6.6954340000e+00
+ENERGY -1.526540809400e+02
+FORCES  3.8586000000e-03  2.5205000000e-03 -1.2865000000e-03 -1.4213000000e-03 -5.4330000000e-04  3.6005000000e-03 -2.4382000000e-03 -1.9781000000e-03 -2.3137000000e-03 -3.4009000000e-03 -3.3243000000e-03  5.1180000000e-04  3.4324000000e-03 -3.4420000000e-04 -1.8379000000e-03 -3.0700000000e-05  3.6695000000e-03  1.3258000000e-03
+
+JOB 88
+COORDS  8.4346720000e+00  2.5750470000e+00  2.9501120000e+00  8.4400260000e+00  3.3340350000e+00  2.3668960000e+00  7.5307630000e+00  2.2609720000e+00  2.9269590000e+00 -8.4071000000e+00 -2.5302440000e+00 -2.9272830000e+00 -8.9487070000e+00 -3.3084520000e+00 -3.0587560000e+00 -7.5441760000e+00 -2.8745380000e+00 -2.6969470000e+00
+ENERGY -1.526540796067e+02
+FORCES -3.6657000000e-03  1.8256000000e-03 -2.4714000000e-03 -2.1100000000e-05 -3.1002000000e-03  2.3780000000e-03  3.6874000000e-03  1.2737000000e-03  9.3600000000e-05  1.2973000000e-03 -4.5875000000e-03  4.0030000000e-04  2.2142000000e-03  3.1764000000e-03  5.3720000000e-04 -3.5120000000e-03  1.4120000000e-03 -9.3770000000e-04
+
+JOB 89
+COORDS -6.5939510000e+00 -7.3886990000e+00 -2.3414100000e+00 -7.2942480000e+00 -6.8973640000e+00 -2.7708350000e+00 -5.8419920000e+00 -6.7965860000e+00 -2.3552720000e+00  6.5680280000e+00  7.3556110000e+00  2.4219610000e+00  7.0848310000e+00  6.5534060000e+00  2.3470290000e+00  6.4846470000e+00  7.6722660000e+00  1.5225120000e+00
+ENERGY -1.526540706499e+02
+FORCES  2.0450000000e-04  4.4209000000e-03 -1.8017000000e-03  2.8597000000e-03 -2.0046000000e-03  1.7486000000e-03 -3.0637000000e-03 -2.4162000000e-03  5.2700000000e-05  1.7791000000e-03 -1.9756000000e-03 -3.9687000000e-03 -2.1140000000e-03  3.2707000000e-03  3.0200000000e-04  3.3430000000e-04 -1.2951000000e-03  3.6670000000e-03
+
+JOB 0
+COORDS -5.7550700000e-01 -1.7848700000e-01  1.1639570000e+00 -6.0480000000e-02 -2.6432300000e-01  1.9662100000e+00  4.3461000000e-02  1.5870000000e-01  5.1633300000e-01  5.4383700000e-01  1.5240900000e-01 -1.1200210000e+00 -3.3686000000e-01 -1.3741500000e-01 -1.3579410000e+00  8.3793800000e-01  6.6785400000e-01 -1.8710560000e+00
+ENERGY -1.526585990033e+02
+FORCES  9.7609000000e-03  2.8977000000e-03 -1.1468800000e-02  2.2870000000e-04  1.1635000000e-03 -3.4519000000e-03 -7.0340000000e-03 -3.6145000000e-03  3.5087000000e-03 -5.9766000000e-03 -6.9470000000e-04  6.8014000000e-03  5.7868000000e-03  3.7508000000e-03  1.9858000000e-03 -2.7658000000e-03 -3.5028000000e-03  2.6248000000e-03
+
+JOB 1
+COORDS -4.2420900000e-01 -5.9086000000e-01 -1.0025440000e+00 -1.1493690000e+00 -2.3280500000e-01 -1.5145710000e+00 -4.1450400000e-01 -1.5230870000e+00 -1.2195470000e+00  4.2577400000e-01  6.7619100000e-01  1.0501660000e+00  3.0075800000e-01 -6.7073000000e-02  4.6011400000e-01  1.2294450000e+00  4.7086100000e-01  1.5278510000e+00
+ENERGY -1.526563523691e+02
+FORCES -1.4500000000e-04  8.7546000000e-03  7.7049000000e-03  3.3083000000e-03 -4.2703000000e-03  6.0690000000e-04  4.2230000000e-04  5.0804000000e-03  2.2391000000e-03 -5.4997000000e-03 -7.7689000000e-03 -1.3855900000e-02  4.6578000000e-03  2.4120000000e-04  6.9711000000e-03 -2.7438000000e-03 -2.0371000000e-03 -3.6661000000e-03
+
+JOB 2
+COORDS -9.3485200000e-01  1.0101320000e+00 -1.2309300000e-01 -3.2024000000e-02  8.2539000000e-01 -3.8194400000e-01 -1.3514060000e+00  1.4969800000e-01 -7.4427000000e-02  8.7385500000e-01 -9.6803900000e-01  8.3468000000e-02  5.0175000000e-01 -7.8237700000e-01  9.4561600000e-01  1.8041030000e+00 -7.6147600000e-01  1.7403700000e-01
+ENERGY -1.526553228650e+02
+FORCES  9.3154000000e-03 -1.3557100000e-02 -3.8685000000e-03 -8.3710000000e-04  5.8314000000e-03  2.5074000000e-03 -2.2920000000e-04  2.4043000000e-03  3.3677000000e-03 -3.1953000000e-03  4.2986000000e-03  4.7195000000e-03  5.3410000000e-04 -5.9590000000e-04 -5.7427000000e-03 -5.5880000000e-03  1.6187000000e-03 -9.8340000000e-04
+
+JOB 3
+COORDS  2.8721300000e-01 -4.8121800000e-01  1.1459850000e+00  1.2029070000e+00 -4.0561200000e-01  1.4143520000e+00  9.1527000000e-02 -1.4152070000e+00  1.2208390000e+00 -2.7541200000e-01  5.5315000000e-01 -1.2055370000e+00 -1.2028690000e+00  4.8137300000e-01 -1.4311550000e+00 -2.2244200000e-01  2.3559900000e-01 -3.0410000000e-01
+ENERGY -1.526592282059e+02
+FORCES  1.7688000000e-03  1.4437000000e-03 -9.4442000000e-03 -4.8362000000e-03 -2.0151000000e-03 -5.6870000000e-04  1.3316000000e-03  4.8454000000e-03 -2.0930000000e-04  2.7304000000e-03 -6.2033000000e-03  1.6141800000e-02  2.6193000000e-03 -1.4596000000e-03  2.6323000000e-03 -3.6138000000e-03  3.3889000000e-03 -8.5519000000e-03
+
+JOB 4
+COORDS -5.4901200000e-01  4.6678500000e-01  1.0331100000e+00 -4.0167400000e-01 -1.5955500000e-01  1.7417860000e+00 -9.6165100000e-01  1.2182300000e+00  1.4588920000e+00  5.3030300000e-01 -5.0960900000e-01 -1.1396200000e+00  2.4894900000e-01 -6.4763000000e-02 -3.4013000000e-01  1.4550370000e+00 -2.7939200000e-01 -1.2296140000e+00
+ENERGY -1.526586430496e+02
+FORCES  2.7892000000e-03 -2.1225000000e-03 -7.2845000000e-03 -4.1420000000e-04  4.4113000000e-03 -3.5304000000e-03  1.8919000000e-03 -4.9121000000e-03  2.0490000000e-04 -5.9396000000e-03  8.2283000000e-03  1.2481500000e-02  4.6297000000e-03 -5.7205000000e-03 -3.8404000000e-03 -2.9570000000e-03  1.1540000000e-04  1.9689000000e-03
+
+JOB 5
+COORDS  1.3477000000e-02 -1.1540050000e+00  6.3372100000e-01  7.7810200000e-01 -1.3144030000e+00  8.0682000000e-02 -6.7122800000e-01 -1.7115040000e+00  2.6411800000e-01  1.4799000000e-02  1.2321250000e+00 -6.2867400000e-01 -1.2622800000e-01  1.5236080000e+00  2.7209200000e-01 -3.9458200000e-01  3.6778400000e-01 -6.6809500000e-01
+ENERGY -1.526542512389e+02
+FORCES  4.4385000000e-03  2.6568000000e-03 -3.8343000000e-03 -5.7022000000e-03  7.2210000000e-04  1.5823000000e-03  2.9490000000e-03  6.6451000000e-03 -7.0740000000e-04 -2.1741000000e-03 -1.2507000000e-02  1.2619500000e-02  6.5520000000e-04  2.2665000000e-03 -3.2186000000e-03 -1.6640000000e-04  2.1650000000e-04 -6.4415000000e-03
+
+JOB 6
+COORDS  6.1068200000e-01 -2.6280500000e-01  1.1386710000e+00  1.5027500000e-01 -1.0999340000e+00  1.1976030000e+00  2.8330200000e-01  2.4397200000e-01  1.8817930000e+00 -5.3805700000e-01  2.9035300000e-01 -1.2575800000e+00 -1.4424600000e+00  1.9605100000e-01 -9.5859000000e-01 -1.3813000000e-02  2.3072300000e-01 -4.5892900000e-01
+ENERGY -1.526587711696e+02
+FORCES -4.4978000000e-03 -6.7590000000e-04 -1.2713000000e-03  9.4480000000e-04  6.1084000000e-03 -1.0524000000e-03  4.1510000000e-04 -3.3092000000e-03 -4.5267000000e-03  5.5667000000e-03 -1.6607000000e-03  1.5302500000e-02  2.6557000000e-03 -5.1890000000e-04  6.1200000000e-05 -5.0845000000e-03  5.6400000000e-05 -8.5133000000e-03
+
+JOB 7
+COORDS  3.4672300000e-01  1.2133780000e+00  3.7392400000e-01 -3.6244600000e-01  1.8109630000e+00  1.3684900000e-01  2.9785000000e-01  1.1493690000e+00  1.3277300000e+00 -3.6266100000e-01 -1.2512240000e+00 -4.2779300000e-01  8.2992000000e-02 -5.1399800000e-01 -1.0513000000e-02  3.4346400000e-01 -1.8440100000e+00 -6.8513700000e-01
+ENERGY -1.526592314959e+02
+FORCES -6.6377000000e-03 -1.6314000000e-03 -2.5017000000e-03  4.0977000000e-03 -1.9176000000e-03  2.8009000000e-03 -3.1530000000e-04 -2.5742000000e-03 -6.1752000000e-03  5.6419000000e-03  1.3369300000e-02  2.6745000000e-03 -1.7134000000e-03 -1.0661000000e-02  1.5609000000e-03 -1.0732000000e-03  3.4148000000e-03  1.6406000000e-03
+
+JOB 8
+COORDS -5.5895000000e-01 -8.4807200000e-01  8.6686600000e-01 -9.5341700000e-01  5.6440000000e-03  1.0451810000e+00 -1.3042510000e+00 -1.4385150000e+00  7.5670800000e-01  6.8140300000e-01  8.5480600000e-01 -9.0139700000e-01  5.9889400000e-01  6.5729000000e-02 -3.6587700000e-01 -1.9309200000e-01  1.2439050000e+00 -8.9176200000e-01
+ENERGY -1.526565306380e+02
+FORCES -2.5033000000e-03  2.6144000000e-03 -2.4066000000e-03  2.6335000000e-03 -3.5035000000e-03 -4.1698000000e-03  2.8271000000e-03  4.1796000000e-03  7.4680000000e-04 -7.5372000000e-03 -9.7683000000e-03  6.2857000000e-03  2.9044000000e-03  6.7941000000e-03 -2.2233000000e-03  1.6756000000e-03 -3.1630000000e-04  1.7672000000e-03
+
+JOB 9
+COORDS -9.9193500000e-01 -2.2523500000e-01 -8.7859800000e-01 -1.6238130000e+00 -7.3705000000e-02 -1.7574500000e-01 -1.0677500000e+00  5.4637100000e-01 -1.4399430000e+00  1.0648520000e+00  2.2601600000e-01  8.3990400000e-01  1.1665650000e+00 -1.3145700000e-01  1.7220040000e+00  3.8127900000e-01 -3.1185400000e-01  4.4033300000e-01
+ENERGY -1.526576126330e+02
+FORCES  2.6135000000e-03  8.3749000000e-03  1.4157000000e-03  5.8098000000e-03 -1.9163000000e-03 -1.5224000000e-03 -1.7379000000e-03 -3.9609000000e-03  2.1729000000e-03 -6.7584000000e-03 -3.7305000000e-03 -7.7736000000e-03 -3.1348000000e-03  4.9570000000e-04 -3.9763000000e-03  3.2078000000e-03  7.3720000000e-04  9.6837000000e-03
+
+JOB 10
+COORDS  4.5769400000e-01 -9.5573900000e-01 -8.3704500000e-01  1.4069260000e+00 -8.4652700000e-01 -8.9416700000e-01  3.2698200000e-01 -1.5272810000e+00 -8.0417000000e-02 -5.7300100000e-01  1.0064080000e+00  8.2023300000e-01  2.2303500000e-01  1.5238650000e+00  6.9859400000e-01 -3.5422300000e-01  1.4332300000e-01  4.6887500000e-01
+ENERGY -1.526532736072e+02
+FORCES  3.3456000000e-03  1.5049000000e-03  2.6778000000e-03 -5.2138000000e-03  4.1100000000e-05  8.8430000000e-04 -1.9315000000e-03  9.8296000000e-03 -1.3708000000e-03  8.1249000000e-03 -6.8539000000e-03 -1.2003100000e-02 -1.9443000000e-03 -7.8070000000e-04  1.3604000000e-03 -2.3809000000e-03 -3.7410000000e-03  8.4513000000e-03
+
+JOB 11
+COORDS -6.7136700000e-01  1.2277810000e+00 -1.4295500000e-01 -4.8420000000e-03  5.4144400000e-01 -1.7323100000e-01 -6.6498200000e-01  1.6074400000e+00 -1.0216190000e+00  6.0642800000e-01 -1.1934730000e+00  1.4085900000e-01  1.7181200000e-01 -1.4590240000e+00  9.5130500000e-01  1.5409520000e+00 -1.2486150000e+00  3.4050200000e-01
+ENERGY -1.526608448786e+02
+FORCES  6.1509000000e-03 -1.0736900000e-02 -1.6626000000e-03 -3.6216000000e-03  1.0235200000e-02 -2.0010000000e-04  1.1447000000e-03 -2.1275000000e-03  2.4573000000e-03 -2.2190000000e-03 -2.3650000000e-04  4.4328000000e-03  3.6993000000e-03  1.2615000000e-03 -4.0949000000e-03 -5.1542000000e-03  1.6041000000e-03 -9.3260000000e-04
+
+JOB 12
+COORDS -7.1622400000e-01  1.2463750000e+00  9.2846000000e-02 -7.8534000000e-02  1.5011420000e+00  7.5968700000e-01 -3.0442400000e-01  5.1393000000e-01 -3.6560500000e-01  6.3645400000e-01 -1.1555520000e+00 -1.1093400000e-01  1.4051210000e+00 -1.4624640000e+00  3.6988500000e-01  2.2419900000e-01 -1.9544640000e+00 -4.3959300000e-01
+ENERGY -1.526580746454e+02
+FORCES  9.1661000000e-03 -1.1113500000e-02  1.7254000000e-03 -1.8641000000e-03  7.5930000000e-04 -1.1924000000e-03 -4.6467000000e-03  4.9920000000e-03 -2.5603000000e-03 -1.1736000000e-03  8.8490000000e-04  2.4827000000e-03 -3.9129000000e-03  5.2450000000e-04 -2.0057000000e-03  2.4313000000e-03  3.9528000000e-03  1.5502000000e-03
+
+JOB 13
+COORDS  6.6639300000e-01  9.1929100000e-01 -7.4770700000e-01  1.5641320000e+00  9.7816800000e-01 -4.2085900000e-01  7.5309600000e-01  5.3259200000e-01 -1.6190150000e+00 -7.3430300000e-01 -8.5128600000e-01  8.2532200000e-01 -1.0471080000e+00 -1.7538660000e+00  7.6421100000e-01 -1.3884100000e-01 -7.5284000000e-01  8.2379000000e-02
+ENERGY -1.526554851119e+02
+FORCES  2.5588000000e-03  1.9856000000e-03  2.1230000000e-04 -4.9371000000e-03 -1.5842000000e-03 -1.9252000000e-03 -1.5580000000e-03 -1.2685000000e-03  6.6080000000e-03  4.4436000000e-03  5.0428000000e-03 -5.8152000000e-03  2.2901000000e-03  4.1475000000e-03 -1.7894000000e-03 -2.7975000000e-03 -8.3231000000e-03  2.7095000000e-03
+
+JOB 14
+COORDS -1.0406490000e+00  8.9618300000e-01  3.2868500000e-01 -4.2645300000e-01  3.4772400000e-01 -1.5936000000e-01 -1.7139250000e+00  1.1297120000e+00 -3.1037300000e-01  1.0435290000e+00 -8.1940700000e-01 -2.9184000000e-01  1.1874040000e+00 -1.6346340000e+00 -7.7239900000e-01  9.5641300000e-01 -1.0915260000e+00  6.2172200000e-01
+ENERGY -1.526611217536e+02
+FORCES  6.7129000000e-03 -5.4650000000e-03 -6.0725000000e-03 -7.5084000000e-03  5.1277000000e-03  5.2157000000e-03  2.7896000000e-03 -1.6474000000e-03  1.0428000000e-03 -1.0461000000e-03 -2.7984000000e-03  2.8950000000e-03 -5.9620000000e-04  3.4425000000e-03  3.0406000000e-03 -3.5180000000e-04  1.3406000000e-03 -6.1216000000e-03
+
+JOB 15
+COORDS  5.5153600000e-01 -4.1815900000e-01 -1.1514090000e+00  7.0452800000e-01 -1.2480570000e+00 -1.6031770000e+00  4.1622600000e-01  2.1666200000e-01 -1.8549170000e+00 -6.1549300000e-01  4.3900400000e-01  1.2090840000e+00 -1.1756000000e-02  8.5172000000e-01  1.8266580000e+00 -6.8107000000e-02 -1.6185000000e-01  7.0353900000e-01
+ENERGY -1.526594048096e+02
+FORCES -3.1581000000e-03  3.8899000000e-03 -1.9977000000e-03 -1.0631000000e-03  4.0578000000e-03  2.3211000000e-03  1.9279000000e-03 -4.3114000000e-03  1.3959000000e-03  6.4580000000e-03 -3.2986000000e-03 -7.3700000000e-03 -1.3697000000e-03 -1.3878000000e-03 -2.8253000000e-03 -2.7951000000e-03  1.0501000000e-03  8.4760000000e-03
+
+JOB 16
+COORDS  6.5762200000e-01  1.2478040000e+00 -3.8858800000e-01 -2.5764000000e-02  5.7766700000e-01 -3.7709700000e-01  8.6962900000e-01  1.3902140000e+00  5.3391100000e-01 -5.7431100000e-01 -1.1817900000e+00  3.1415400000e-01 -8.6055700000e-01 -2.0405750000e+00  3.0510000000e-03 -1.2426860000e+00 -9.2107300000e-01  9.4782000000e-01
+ENERGY -1.526581322649e+02
+FORCES -3.1621000000e-03 -1.0991200000e-02  4.6658000000e-03  3.4930000000e-04  8.3529000000e-03 -4.7260000000e-04 -1.1449000000e-03  5.0420000000e-04 -2.4009000000e-03 -1.0673000000e-03 -2.3719000000e-03 -1.5270000000e-04  8.6660000000e-04  4.1028000000e-03  2.5586000000e-03  4.1585000000e-03  4.0310000000e-04 -4.1982000000e-03
+
+JOB 17
+COORDS  1.0494730000e+00 -2.9112000000e-02 -1.0312800000e+00  1.6168660000e+00 -2.6399000000e-02 -2.6037800000e-01  1.6621500000e-01  8.2174000000e-02 -6.7956600000e-01 -9.7006300000e-01  2.0276000000e-02  9.5451900000e-01 -1.6447240000e+00 -6.1977400000e-01  7.2780300000e-01 -1.4362570000e+00  6.9644300000e-01  1.4461410000e+00
+ENERGY -1.526598340272e+02
+FORCES -6.4606000000e-03  1.1535000000e-03  1.1659800000e-02  5.5550000000e-04  6.8500000000e-05 -3.1520000000e-03  2.5766000000e-03 -1.8320000000e-03 -7.3644000000e-03 -2.3299000000e-03  2.9910000000e-04  1.0453000000e-03  3.7196000000e-03  4.3035000000e-03 -3.5200000000e-05  1.9389000000e-03 -3.9927000000e-03 -2.1536000000e-03
+
+JOB 18
+COORDS -1.0295270000e+00 -3.8207700000e-01  9.1716300000e-01 -1.2483880000e+00  5.4766800000e-01  8.5465100000e-01 -2.9541100000e-01 -4.1510100000e-01  1.5305260000e+00  9.9251100000e-01  3.5987400000e-01 -1.0004460000e+00  3.0791900000e-01 -6.0577000000e-02 -4.8007600000e-01  1.8070110000e+00  1.3921400000e-01 -5.4863800000e-01
+ENERGY -1.526586163730e+02
+FORCES  4.4260000000e-04  5.3045000000e-03  4.3271000000e-03  2.6636000000e-03 -5.8892000000e-03 -1.0583000000e-03 -1.6993000000e-03  9.1700000000e-05 -6.3120000000e-03 -5.6957000000e-03 -6.1113000000e-03  6.3401000000e-03  7.9390000000e-03  5.8540000000e-03 -3.2724000000e-03 -3.6502000000e-03  7.5030000000e-04 -2.4600000000e-05
+
+JOB 19
+COORDS -1.3014410000e+00 -3.8188000000e-01  1.5910700000e-01 -1.5990620000e+00 -7.1972800000e-01  1.0038030000e+00 -1.6874460000e+00 -9.7451900000e-01 -4.8588300000e-01  1.3905590000e+00  3.9569400000e-01 -1.4690400000e-01  1.4549590000e+00  1.3087250000e+00 -4.2700900000e-01  4.6579100000e-01  1.7516100000e-01 -2.5826600000e-01
+ENERGY -1.526612047481e+02
+FORCES  5.2490000000e-04 -2.7946000000e-03  3.5246000000e-03 -4.1520000000e-04  7.9420000000e-04 -4.8368000000e-03  2.4572000000e-03  2.8965000000e-03  3.3527000000e-03 -1.0860000000e-02 -6.2570000000e-04  8.5630000000e-04 -1.0769000000e-03 -2.8768000000e-03  7.8760000000e-04  9.3700000000e-03  2.6063000000e-03 -3.6843000000e-03
+
+JOB 20
+COORDS -1.2643970000e+00 -4.3885200000e-01  3.1935700000e-01 -1.3988700000e+00  2.7561800000e-01  9.4199700000e-01 -2.1212730000e+00 -5.6705300000e-01 -8.7534000000e-02  1.3579030000e+00  4.3743500000e-01 -2.7714400000e-01  5.8740400000e-01 -1.2667500000e-01 -2.1124900000e-01  1.5507450000e+00  4.7181100000e-01 -1.2140870000e+00
+ENERGY -1.526609537685e+02
+FORCES -1.6743000000e-03  3.9893000000e-03  1.8040000000e-04 -3.0550000000e-04 -4.1781000000e-03 -3.3453000000e-03  3.2788000000e-03  1.4533000000e-03  2.4330000000e-03 -8.9690000000e-03 -4.4657000000e-03 -1.8186000000e-03  8.8313000000e-03  3.5445000000e-03 -1.4990000000e-04 -1.1614000000e-03 -3.4330000000e-04  2.7003000000e-03
+
+JOB 21
+COORDS  1.6223700000e-01  5.1897100000e-01  1.3554180000e+00  8.9368900000e-01  8.5971000000e-02  1.7955540000e+00  1.9038600000e-01  1.8548000000e-01  4.5863300000e-01 -1.9417900000e-01 -4.5966400000e-01 -1.2643410000e+00 -8.6779500000e-01 -1.1867000000e-01 -1.8527260000e+00  2.9923900000e-01 -1.0815100000e+00 -1.7992030000e+00
+ENERGY -1.526609578171e+02
+FORCES  3.9840000000e-04 -5.0648000000e-03 -9.2843000000e-03 -1.9450000000e-03  7.1050000000e-04 -2.2228000000e-03  1.9367000000e-03  3.4210000000e-03  9.0145000000e-03 -1.3287000000e-03  7.1630000000e-04 -7.4690000000e-04  3.7682000000e-03 -2.7700000000e-03  1.3812000000e-03 -2.8296000000e-03  2.9870000000e-03  1.8582000000e-03
+
+JOB 22
+COORDS -7.7665000000e-01  6.6905100000e-01 -9.3992300000e-01 -1.1541100000e-01  4.0323600000e-01 -1.5789360000e+00 -9.4560200000e-01  1.5900810000e+00 -1.1383930000e+00  7.9525900000e-01 -7.4543500000e-01  9.6163700000e-01  8.5223500000e-01 -2.3909000000e-01  1.7719460000e+00 -7.8822000000e-02 -5.5543800000e-01  6.2088000000e-01
+ENERGY -1.526590035238e+02
+FORCES  5.3769000000e-03  1.9795000000e-03 -1.2524000000e-03 -4.3706000000e-03  1.4822000000e-03  2.2705000000e-03  1.4034000000e-03 -3.7175000000e-03  2.7490000000e-04 -6.9820000000e-03  7.2616000000e-03 -2.3026000000e-03 -8.7500000000e-05 -1.5332000000e-03 -2.4366000000e-03  4.6597000000e-03 -5.4725000000e-03  3.4463000000e-03
+
+JOB 23
+COORDS  6.0395300000e-01  7.6919100000e-01 -9.6748300000e-01  1.4571200000e+00  9.6768400000e-01 -1.3534080000e+00  1.8364600000e-01  1.6227340000e+00 -8.6242200000e-01 -6.3983800000e-01 -9.0011800000e-01  1.0137280000e+00 -1.1175070000e+00 -7.9464000000e-02  1.1345170000e+00  6.0100000000e-02 -6.8204600000e-01  3.9829000000e-01
+ENERGY -1.526586952355e+02
+FORCES -5.1400000000e-05  3.6701000000e-03 -6.3800000000e-05 -4.2577000000e-03 -6.7860000000e-04  2.0340000000e-03  2.0987000000e-03 -3.9770000000e-03 -1.3880000000e-04  4.0724000000e-03  8.2883000000e-03 -7.6215000000e-03  2.4650000000e-04 -1.9053000000e-03  4.7030000000e-04 -2.1086000000e-03 -5.3975000000e-03  5.3197000000e-03
+
+JOB 24
+COORDS  6.1382200000e-01  1.0105100000e+00 -8.6733100000e-01  4.1171200000e-01  2.1709800000e-01 -3.7146800000e-01  1.4993380000e+00  8.6603900000e-01 -1.2008300000e+00 -6.1120200000e-01 -9.1762400000e-01  8.0627200000e-01 -9.1949100000e-01 -5.9049700000e-01  1.6513620000e+00 -9.5810100000e-01 -1.8081370000e+00  7.5260900000e-01
+ENERGY -1.526612197787e+02
+FORCES -2.0642000000e-03 -7.4101000000e-03  4.6714000000e-03  5.3409000000e-03  6.6441000000e-03 -5.4430000000e-03 -3.0619000000e-03 -6.8650000000e-04  1.5275000000e-03 -2.2757000000e-03  5.4200000000e-04  1.3551000000e-03  8.6180000000e-04 -3.1266000000e-03 -3.5636000000e-03  1.1992000000e-03  4.0370000000e-03  1.4527000000e-03
+
+JOB 25
+COORDS  6.6303800000e-01 -1.2734620000e+00 -4.5228500000e-01 -1.8612700000e-01 -1.3008670000e+00 -8.9319300000e-01  6.8335700000e-01 -4.1786700000e-01 -2.3593000000e-02 -5.6926500000e-01  1.2483230000e+00  4.8964200000e-01 -6.6901600000e-01  1.3155070000e+00 -4.5997300000e-01 -1.2828060000e+00  6.7314900000e-01  7.6580600000e-01
+ENERGY -1.526567533960e+02
+FORCES -4.3910000000e-03  8.1289000000e-03  3.1422000000e-03  1.9459000000e-03  8.7730000000e-04  1.3615000000e-03  1.5583000000e-03 -6.5538000000e-03 -4.5999000000e-03 -5.4691000000e-03 -1.1107000000e-03 -2.1139000000e-03  1.9214000000e-03 -3.2693000000e-03  4.8741000000e-03  4.4346000000e-03  1.9277000000e-03 -2.6640000000e-03
+
+JOB 26
+COORDS -2.4754500000e-01  1.3811000000e+00 -5.4809200000e-01  6.3252900000e-01  1.4825900000e+00 -1.8559800000e-01 -3.8065500000e-01  4.3429100000e-01 -5.9354600000e-01  1.9337000000e-01 -1.3130440000e+00  4.6394400000e-01 -3.8352900000e-01 -1.8257180000e+00  1.0301470000e+00  9.1946500000e-01 -1.0549390000e+00  1.0317460000e+00
+ENERGY -1.526584449143e+02
+FORCES  3.4619000000e-03 -1.0217300000e-02  3.6953000000e-03 -1.9513000000e-03  4.3230000000e-04 -3.7700000000e-04 -1.5245000000e-03  7.2033000000e-03 -3.3489000000e-03  1.1160000000e-04  7.4710000000e-04  5.3542000000e-03  3.0845000000e-03  2.3681000000e-03 -2.3428000000e-03 -3.1823000000e-03 -5.3350000000e-04 -2.9808000000e-03
+
+JOB 27
+COORDS -8.4764300000e-01  1.1416000000e+00  4.0878600000e-01 -3.1259600000e-01  5.4997500000e-01 -1.2030400000e-01 -1.6756810000e+00  1.2065220000e+00 -6.6998000000e-02  8.0310400000e-01 -1.1486910000e+00 -3.4041100000e-01  1.6386740000e+00 -1.3253380000e+00  9.1851000000e-02  9.7465400000e-01 -3.8496900000e-01 -8.9134800000e-01
+ENERGY -1.526521820991e+02
+FORCES  8.4600000000e-05 -7.8584000000e-03 -1.7369000000e-03  2.9212000000e-03  6.0074000000e-03 -5.7497000000e-03  3.6700000000e-03 -6.1030000000e-04  1.3546000000e-03  5.5364000000e-03  1.6320000000e-03  2.3352000000e-03 -3.8547000000e-03  2.6200000000e-04 -2.9026000000e-03 -8.3575000000e-03  5.6730000000e-04  6.6994000000e-03
+
+JOB 28
+COORDS -2.0998200000e-01  4.7287300000e-01  1.4419660000e+00 -6.7089000000e-01 -1.4543100000e-01  8.7496000000e-01  5.7723100000e-01  7.0799600000e-01  9.5080000000e-01  1.6589200000e-01 -4.6122000000e-01 -1.3216940000e+00 -1.2677300000e-01  1.3190500000e-01 -2.0136350000e+00  9.5086600000e-01 -8.7709100000e-01 -1.6782020000e+00
+ENERGY -1.526588749182e+02
+FORCES  2.4210000000e-03 -3.9755000000e-03 -1.0882000000e-02 -1.7995000000e-03  1.8155000000e-03  5.3340000000e-03 -3.6850000000e-04  1.6686000000e-03  4.2408000000e-03  1.1773000000e-03  4.3460000000e-04 -3.7897000000e-03  1.8666000000e-03 -2.8158000000e-03  3.3288000000e-03 -3.2969000000e-03  2.8726000000e-03  1.7681000000e-03
+
+JOB 29
+COORDS  8.0412000000e-02  1.4276400000e+00 -1.2727300000e-01 -6.6684600000e-01  1.9748010000e+00 -3.6904300000e-01  2.3456500000e-01  1.6264200000e+00  7.9628300000e-01 -1.0952300000e-01 -1.4969360000e+00  7.8891000000e-02  6.6199100000e-01 -1.9364560000e+00  4.3641100000e-01  1.8868100000e-01 -6.0818100000e-01 -1.1455100000e-01
+ENERGY -1.526607349505e+02
+FORCES -4.9066000000e-03  2.8572000000e-03  2.3083000000e-03  3.8527000000e-03 -1.2867000000e-03  1.9728000000e-03 -3.4670000000e-04 -1.6039000000e-03 -4.6325000000e-03  2.7746000000e-03  7.4021000000e-03 -1.6290000000e-03 -2.3387000000e-03  2.7819000000e-03 -6.7950000000e-04  9.6470000000e-04 -1.0150700000e-02  2.6599000000e-03
+
+JOB 30
+COORDS  1.6255600000e-01 -8.5322000000e-02 -1.4181130000e+00 -2.6208000000e-02  7.3315700000e-01 -1.8771260000e+00  9.6898000000e-01 -4.0632700000e-01 -1.8216820000e+00 -2.0652100000e-01  1.5850000000e-02  1.5021250000e+00 -3.7417800000e-01  1.6834000000e-02  5.5972300000e-01  2.0518000000e-01  8.6281900000e-01  1.6735220000e+00
+ENERGY -1.526598477420e+02
+FORCES  4.4530000000e-03 -2.5600000000e-04 -2.5006000000e-03  1.2574000000e-03 -3.5209000000e-03  3.3577000000e-03 -3.9282000000e-03  2.5296000000e-03  3.3030000000e-04  2.5822000000e-03  1.8107000000e-03 -9.4378000000e-03 -3.0500000000e-03  1.7564000000e-03  8.6574000000e-03 -1.3144000000e-03 -2.3199000000e-03 -4.0690000000e-04
+
+JOB 31
+COORDS  1.2454650000e+00 -6.0687400000e-01 -6.1585200000e-01  2.9865600000e-01 -4.7243700000e-01 -5.7448500000e-01  1.3846570000e+00 -1.4611060000e+00 -2.0701800000e-01 -1.1952150000e+00  5.9027100000e-01  5.5476500000e-01 -5.4170900000e-01  1.2704630000e+00  7.1755700000e-01 -1.9407520000e+00  8.3795400000e-01  1.1016290000e+00
+ENERGY -1.526603803862e+02
+FORCES -6.8854000000e-03 -2.6572000000e-03  3.2313000000e-03  7.6267000000e-03 -6.8900000000e-05 -2.2297000000e-03 -9.0100000000e-05  2.6914000000e-03 -1.5390000000e-03 -1.5400000000e-04  3.5053000000e-03  3.1537000000e-03 -4.4166000000e-03 -3.3256000000e-03 -1.1397000000e-03  3.9195000000e-03 -1.4490000000e-04 -1.4767000000e-03
+
+JOB 32
+COORDS -6.6537000000e-02 -6.4538900000e-01 -1.3038840000e+00  6.9643300000e-01 -1.2165150000e+00 -1.2148730000e+00 -7.5769200000e-01 -1.2182630000e+00 -1.6360770000e+00  7.6012000000e-02  6.6821600000e-01  1.3695040000e+00 -1.8492000000e-01  2.8282700000e-01  5.3307000000e-01  6.8544000000e-02  1.6122560000e+00  1.2115020000e+00
+ENERGY -1.526619499691e+02
+FORCES  1.4482000000e-03 -5.2392000000e-03 -2.2692000000e-03 -4.5556000000e-03  2.5018000000e-03 -6.1300000000e-04  3.6835000000e-03  2.4354000000e-03  1.7174000000e-03 -1.5489000000e-03 -4.1020000000e-04 -8.8804000000e-03  9.9380000000e-04  3.6733000000e-03  9.6002000000e-03 -2.0900000000e-05 -2.9611000000e-03  4.4500000000e-04
+
+JOB 33
+COORDS -7.0912400000e-01 -9.1750500000e-01  9.2842000000e-01 -1.0784200000e-01 -1.6622430000e+00  9.2082000000e-01 -1.3153610000e+00 -1.0911640000e+00  2.0831500000e-01  6.9972800000e-01  9.3227300000e-01 -9.2878800000e-01  2.0724800000e-01  1.0239320000e+00 -1.1313200000e-01  1.4253210000e+00  1.5504780000e+00 -8.4178900000e-01
+ENERGY -1.526584341326e+02
+FORCES  2.3989000000e-03 -4.8219000000e-03 -5.3930000000e-03 -3.2726000000e-03  2.2151000000e-03  9.4630000000e-04  2.1745000000e-03  1.2760000000e-03  3.7267000000e-03 -1.2728000000e-03 -5.0000000000e-06  6.2681000000e-03  2.6074000000e-03  4.2199000000e-03 -6.1366000000e-03 -2.6354000000e-03 -2.8841000000e-03  5.8840000000e-04
+
+JOB 34
+COORDS -6.1967900000e-01 -1.1503460000e+00 -6.6073100000e-01 -5.9145900000e-01 -1.4193930000e+00 -1.5789080000e+00 -1.5007570000e+00 -7.9577300000e-01 -5.4152200000e-01  6.5527000000e-01  1.1764840000e+00  7.6158200000e-01  1.2925370000e+00  1.3134000000e+00  6.0600000000e-02  4.4481000000e-02  5.2998200000e-01  4.0774100000e-01
+ENERGY -1.526583049929e+02
+FORCES -2.5856000000e-03 -1.7930000000e-03 -4.7577000000e-03 -7.0480000000e-04  1.0741000000e-03  4.3785000000e-03  6.6479000000e-03  7.1010000000e-04  4.8520000000e-04 -1.1360000000e-04 -7.6924000000e-03 -7.1469000000e-03 -1.4108000000e-03  8.1230000000e-04  2.4373000000e-03 -1.8330000000e-03  6.8888000000e-03  4.6036000000e-03
+
+JOB 35
+COORDS  1.2477100000e+00  4.1143800000e-01 -7.7760400000e-01  2.0996900000e+00  4.9887700000e-01 -3.5015200000e-01  6.4958800000e-01  1.6435200000e-01 -7.2316000000e-02 -1.2091950000e+00 -4.1074100000e-01  7.5870800000e-01 -1.2056570000e+00 -5.6290500000e-01 -1.8631300000e-01 -2.1011810000e+00 -1.2223900000e-01  9.5199500000e-01
+ENERGY -1.526593481751e+02
+FORCES -3.8910000000e-04 -1.7280000000e-04  7.1039000000e-03 -3.0453000000e-03 -9.3900000000e-05 -1.2360000000e-03  2.8516000000e-03 -1.2348000000e-03 -8.3893000000e-03 -6.0850000000e-03  1.1851000000e-03 -2.2992000000e-03  3.4052000000e-03  2.5535000000e-03  6.1951000000e-03  3.2625000000e-03 -2.2369000000e-03 -1.3745000000e-03
+
+JOB 36
+COORDS  1.1892700000e-01  1.5009140000e+00 -3.4789800000e-01  1.0380210000e+00  1.6641620000e+00 -5.5967100000e-01  7.7034000000e-02  5.6148300000e-01 -1.6915900000e-01 -1.8654100000e-01 -1.3874410000e+00  3.3694100000e-01 -4.7285200000e-01 -2.1875520000e+00 -1.0360400000e-01  4.6826600000e-01 -1.6829440000e+00  9.6950500000e-01
+ENERGY -1.526610748319e+02
+FORCES  1.1608000000e-03 -8.1326000000e-03  5.3650000000e-04 -2.7129000000e-03 -1.0133000000e-03  1.0602000000e-03  2.4478000000e-03  9.9303000000e-03 -1.1517000000e-03 -1.7860000000e-04 -4.9107000000e-03  2.0430000000e-04  2.0125000000e-03  2.7121000000e-03  3.1324000000e-03 -2.7297000000e-03  1.4143000000e-03 -3.7817000000e-03
+
+JOB 37
+COORDS  9.0391600000e-01 -8.6115200000e-01  7.5180600000e-01  1.4871610000e+00 -1.0873230000e+00  1.4763090000e+00  1.4237090000e+00 -1.0254410000e+00 -3.4995000000e-02 -9.7198700000e-01  9.1559200000e-01 -8.1294300000e-01 -2.7126700000e-01  1.0224030000e+00 -1.6965900000e-01 -1.5956920000e+00  3.2369500000e-01 -3.9237000000e-01
+ENERGY -1.526591001290e+02
+FORCES  4.3877000000e-03 -3.2649000000e-03 -1.4649000000e-03 -2.6272000000e-03  1.1642000000e-03 -3.5987000000e-03 -1.6121000000e-03  1.1465000000e-03  4.6776000000e-03  2.3424000000e-03 -5.1919000000e-03  7.7604000000e-03 -2.7998000000e-03  3.3690000000e-03 -4.7424000000e-03  3.0910000000e-04  2.7771000000e-03 -2.6321000000e-03
+
+JOB 38
+COORDS  1.3282990000e+00 -3.0073500000e-01  7.9098800000e-01  4.6459800000e-01  5.6522000000e-02  5.8454100000e-01  1.5289010000e+00 -8.8245700000e-01  5.7783000000e-02 -1.2968340000e+00  2.4928900000e-01 -7.1191700000e-01 -1.2371110000e+00  1.0979850000e+00 -2.7330600000e-01 -1.2824780000e+00  4.6009200000e-01 -1.6455050000e+00
+ENERGY -1.526573511124e+02
+FORCES -7.1077000000e-03 -2.5873000000e-03 -7.1879000000e-03  4.1078000000e-03  3.7956000000e-03  4.9371000000e-03  1.4256000000e-03  1.6261000000e-03  2.6678000000e-03 -1.2617000000e-03  4.3828000000e-03 -4.4049000000e-03  3.1377000000e-03 -6.2163000000e-03 -5.2010000000e-04 -3.0170000000e-04 -1.0009000000e-03  4.5080000000e-03
+
+JOB 39
+COORDS  7.1141500000e-01  1.1346930000e+00 -8.4483600000e-01 -1.3522800000e-01  6.9213500000e-01 -7.8509200000e-01  1.2334120000e+00  5.7724200000e-01 -1.4218960000e+00 -6.6310200000e-01 -1.0473130000e+00  8.1908500000e-01 -1.1213040000e+00 -6.6034000000e-01  1.5650970000e+00 -7.0699600000e-01 -1.9909270000e+00  9.7367300000e-01
+ENERGY -1.526569969891e+02
+FORCES -2.4590000000e-03 -8.3460000000e-03  1.1242000000e-03  2.4345000000e-03  5.6762000000e-03 -2.8860000000e-03 -1.2560000000e-03  2.4821000000e-03  1.2383000000e-03 -5.9950000000e-04 -2.0294000000e-03  4.7893000000e-03  1.4266000000e-03 -1.9706000000e-03 -3.8118000000e-03  4.5350000000e-04  4.1877000000e-03 -4.5410000000e-04
+
+JOB 40
+COORDS  1.3965720000e+00  4.6248200000e-01 -3.8001200000e-01  1.2756320000e+00  1.1855810000e+00  2.3540000000e-01  1.7394390000e+00  8.7629100000e-01 -1.1721210000e+00 -1.4471830000e+00 -5.8068300000e-01  4.1979300000e-01 -1.7649070000e+00  1.7705500000e-01 -7.1242000000e-02 -4.9791300000e-01 -4.6291400000e-01  4.5512300000e-01
+ENERGY -1.526581620878e+02
+FORCES  2.8759000000e-03  4.4849000000e-03 -3.1096000000e-03 -1.5915000000e-03 -4.6197000000e-03 -2.9441000000e-03 -1.2823000000e-03 -9.4160000000e-04  4.0837000000e-03  6.3081000000e-03  3.3290000000e-03 -4.8679000000e-03  2.6900000000e-05 -2.0210000000e-03  2.2470000000e-03 -6.3371000000e-03 -2.3150000000e-04  4.5909000000e-03
+
+JOB 41
+COORDS -4.4300200000e-01  1.4889560000e+00  1.7790100000e-01  2.5960000000e-02  2.0064920000e+00  8.3247200000e-01  1.0897800000e-01  1.5324690000e+00 -6.0290400000e-01  3.2571100000e-01 -1.5443360000e+00 -1.7005700000e-01  1.1516160000e+00 -2.0078960000e+00 -3.1408000000e-02  5.8219200000e-01 -6.3194500000e-01 -3.0419000000e-01
+ENERGY -1.526535851512e+02
+FORCES  1.7592000000e-03  4.7856000000e-03  6.7050000000e-04 -1.9155000000e-03 -2.7014000000e-03 -3.3693000000e-03 -1.0476000000e-03 -4.3204000000e-03  4.7796000000e-03  2.0758000000e-03  4.0661000000e-03  1.6122000000e-03 -3.3117000000e-03  2.5875000000e-03 -2.6770000000e-04  2.4398000000e-03 -4.4174000000e-03 -3.4253000000e-03
+
+JOB 42
+COORDS -1.9770100000e-01 -1.1200970000e+00 -1.1853970000e+00 -7.6195500000e-01 -1.5987520000e+00 -5.7816000000e-01 -1.6466700000e-01 -2.3105300000e-01 -8.3220900000e-01  2.2099600000e-01  1.1310080000e+00  1.0775790000e+00 -3.2284600000e-01  1.0123560000e+00  1.8562900000e+00  9.5813900000e-01  5.3414700000e-01  1.2064530000e+00
+ENERGY -1.526591215268e+02
+FORCES -3.2466000000e-03  4.6680000000e-03  5.1309000000e-03  2.3361000000e-03  8.9650000000e-04 -1.9350000000e-03  1.3223000000e-03 -6.6752000000e-03 -4.3577000000e-03  1.7857000000e-03 -1.3971000000e-03  6.3006000000e-03  2.5630000000e-03 -6.2500000000e-05 -3.6611000000e-03 -4.7606000000e-03  2.5704000000e-03 -1.4777000000e-03
+
+JOB 43
+COORDS  6.5711300000e-01  1.1029890000e+00  1.0725320000e+00 -1.2033400000e-01  7.0124800000e-01  6.8470200000e-01  1.3882240000e+00  7.4830600000e-01  5.6665800000e-01 -6.2945200000e-01 -1.0283330000e+00 -9.6161100000e-01 -9.0750500000e-01 -1.9393180000e+00 -1.0566080000e+00 -8.4202100000e-01 -6.2359400000e-01 -1.8025820000e+00
+ENERGY -1.526593831729e+02
+FORCES -1.3845000000e-03 -6.5940000000e-03 -5.3480000000e-03  2.5203000000e-03  5.5572000000e-03  3.5227000000e-03 -9.8490000000e-04  2.6924000000e-03  2.2996000000e-03 -2.4471000000e-03 -4.0498000000e-03 -4.1716000000e-03  1.2077000000e-03  4.1190000000e-03 -4.8200000000e-04  1.0885000000e-03 -1.7247000000e-03  4.1794000000e-03
+
+JOB 44
+COORDS -1.5183250000e+00  3.8803900000e-01  4.3965900000e-01 -6.2121400000e-01  1.6587100000e-01  6.8878700000e-01 -1.7657770000e+00  1.0933320000e+00  1.0376240000e+00  1.4268570000e+00 -3.7530600000e-01 -5.0735000000e-01  1.6372490000e+00 -1.2991620000e+00 -6.4320600000e-01  2.1562790000e+00 -3.6906000000e-02  1.1939000000e-02
+ENERGY -1.526574146998e+02
+FORCES  5.4632000000e-03  8.2250000000e-04  9.0690000000e-04 -7.3816000000e-03  1.9726000000e-03  3.3697000000e-03  1.5783000000e-03 -2.5367000000e-03 -2.1702000000e-03  5.4883000000e-03 -3.3397000000e-03 -1.7108000000e-03 -6.3770000000e-04  4.4859000000e-03  1.0407000000e-03 -4.5106000000e-03 -1.4045000000e-03 -1.4362000000e-03
+
+JOB 45
+COORDS -1.1179430000e+00  1.1895200000e-01  1.1855870000e+00 -9.5918900000e-01  4.4754200000e-01  2.0704920000e+00 -3.0155800000e-01  2.8999000000e-01  7.1602100000e-01  1.0614360000e+00 -1.8990700000e-01 -1.1591080000e+00  1.3409830000e+00  7.1970100000e-01 -1.0556770000e+00  8.5630600000e-01 -2.7352000000e-01 -2.0903240000e+00
+ENERGY -1.526570105445e+02
+FORCES  5.0438000000e-03 -3.6720000000e-04 -9.2300000000e-04 -4.4000000000e-06 -9.7790000000e-04 -3.7931000000e-03 -4.2946000000e-03  3.6189000000e-03  5.8385000000e-03  3.1020000000e-04  1.3626000000e-03 -7.0034000000e-03 -3.1249000000e-03 -4.3524000000e-03  2.0562000000e-03  2.0699000000e-03  7.1600000000e-04  3.8249000000e-03
+
+JOB 46
+COORDS  6.6837900000e-01 -1.1692140000e+00  9.2113100000e-01  1.6872600000e-01 -1.9678520000e+00  1.0907040000e+00  6.3670000000e-01 -1.0636480000e+00 -2.9702000000e-02 -6.4932100000e-01  1.1971260000e+00 -8.1738600000e-01 -1.2595130000e+00  1.4793940000e+00 -1.4987250000e+00  1.8147600000e-01  1.0721240000e+00 -1.2760620000e+00
+ENERGY -1.526527562966e+02
+FORCES -5.1509000000e-03 -9.1680000000e-04 -3.7265000000e-03  2.2484000000e-03  2.8304000000e-03 -4.2110000000e-04  3.1381000000e-03 -9.1100000000e-04  2.5257000000e-03  9.4320000000e-04  2.6712000000e-03 -4.0580000000e-03  2.5873000000e-03 -1.5932000000e-03  3.4279000000e-03 -3.7661000000e-03 -2.0807000000e-03  2.2520000000e-03
+
+JOB 47
+COORDS  1.4855800000e+00  1.4250400000e-01  5.5703000000e-01  2.3239180000e+00  1.6293300000e-01  1.0185530000e+00  1.2786340000e+00  1.0628180000e+00  3.9446700000e-01 -1.5393330000e+00 -1.3761000000e-01 -5.6408900000e-01 -6.5722800000e-01 -3.9373600000e-01 -8.3338900000e-01 -2.0038740000e+00 -9.6599100000e-01 -4.4484700000e-01
+ENERGY -1.526574067303e+02
+FORCES  2.5574000000e-03  4.4269000000e-03  2.7891000000e-03 -3.6618000000e-03  3.0620000000e-04 -1.5848000000e-03  1.9341000000e-03 -4.5282000000e-03 -3.0860000000e-04  3.7175000000e-03 -5.3530000000e-03  1.1259000000e-03 -5.8766000000e-03  2.1675000000e-03 -1.2759000000e-03  1.3293000000e-03  2.9806000000e-03 -7.4570000000e-04
+
+JOB 48
+COORDS -6.1617000000e-01  1.2940150000e+00  8.9797200000e-01 -6.6216900000e-01  1.0271220000e+00 -2.0115000000e-02  3.1607300000e-01  1.2576280000e+00  1.1120530000e+00  5.6302500000e-01 -1.2181660000e+00 -8.7530600000e-01 -1.3169700000e-01 -1.7059630000e+00 -4.3298600000e-01  1.2842450000e+00 -1.8429520000e+00 -9.5090100000e-01
+ENERGY -1.526580772709e+02
+FORCES  5.8040000000e-03 -2.7035000000e-03 -4.7816000000e-03 -2.6112000000e-03  2.2439000000e-03  4.3045000000e-03 -3.5783000000e-03  1.4076000000e-03  9.1410000000e-04  3.4610000000e-04 -5.6804000000e-03  1.4902000000e-03  3.1718000000e-03  2.2845000000e-03 -2.7110000000e-03 -3.1324000000e-03  2.4478000000e-03  7.8380000000e-04
+
+JOB 49
+COORDS  9.0067500000e-01 -1.0373860000e+00  9.8837000000e-01  1.7866550000e+00 -8.0971200000e-01  7.0652600000e-01  3.8171600000e-01 -2.5435300000e-01  8.0459800000e-01 -8.8431400000e-01  9.7749300000e-01 -9.0905900000e-01 -5.9654600000e-01  8.0727600000e-01 -1.8059690000e+00 -1.7781320000e+00  1.3070890000e+00 -1.0022670000e+00
+ENERGY -1.526590307475e+02
+FORCES -8.3550000000e-04  5.7551000000e-03 -3.1895000000e-03 -2.9153000000e-03 -1.1270000000e-03  6.9870000000e-04  4.7920000000e-03 -5.0374000000e-03  4.2312000000e-03 -3.5645000000e-03  2.6890000000e-04 -5.2368000000e-03 -1.3725000000e-03  1.4798000000e-03  3.7068000000e-03  3.8958000000e-03 -1.3393000000e-03 -2.1030000000e-04
+
+JOB 50
+COORDS -3.6041300000e-01 -1.4199220000e+00 -7.2323000000e-01 -1.2360930000e+00 -1.7183380000e+00 -9.6892100000e-01 -1.7520600000e-01 -1.8715290000e+00  1.0016600000e-01  4.0682300000e-01  1.4850120000e+00  7.4914600000e-01  1.1349990000e+00  1.1023600000e+00  2.5968800000e-01 -3.3554900000e-01  1.4437250000e+00  1.4630900000e-01
+ENERGY -1.526571299485e+02
+FORCES -2.7086000000e-03 -3.9484000000e-03  3.4116000000e-03  3.5248000000e-03  1.7497000000e-03  1.1951000000e-03 -6.6410000000e-04  1.2770000000e-03 -4.1981000000e-03 -8.6710000000e-04 -4.4506000000e-03 -6.6611000000e-03 -1.2586000000e-03  2.5725000000e-03  3.1071000000e-03  1.9737000000e-03  2.7998000000e-03  3.1455000000e-03
+
+JOB 51
+COORDS  6.9698800000e-01 -1.6197460000e+00 -6.3814300000e-01  6.0639600000e-01 -1.9975620000e+00  2.3666000000e-01  1.5313700000e-01 -8.3233900000e-01 -6.1698300000e-01 -6.8092000000e-01  1.5531610000e+00  5.4224400000e-01  2.0177100000e-01  1.7878390000e+00  8.2862700000e-01 -1.2595320000e+00  2.0909560000e+00  1.0828140000e+00
+ENERGY -1.526580129172e+02
+FORCES -4.1804000000e-03  2.6721000000e-03  3.6737000000e-03  9.5590000000e-04  9.9210000000e-04 -3.1830000000e-03  4.2460000000e-03 -5.2063000000e-03 -1.1590000000e-03  2.1270000000e-04  5.1302000000e-03  3.8726000000e-03 -4.1489000000e-03 -1.6141000000e-03 -1.1940000000e-03  2.9146000000e-03 -1.9741000000e-03 -2.0104000000e-03
+
+JOB 52
+COORDS  1.8337040000e+00 -8.0800000000e-01  3.4150000000e-03  1.7222360000e+00  1.3133900000e-01  1.4986900000e-01  9.6010200000e-01 -1.1766400000e+00  1.3440200000e-01 -1.8362580000e+00  8.0300800000e-01  4.8930000000e-03 -1.4208620000e+00 -2.0151000000e-02  2.6196700000e-01 -1.2712870000e+00  1.1518630000e+00 -6.8455500000e-01
+ENERGY -1.526526087799e+02
+FORCES -2.6605000000e-03  2.0480000000e-03  1.9665000000e-03 -2.1240000000e-04 -4.3993000000e-03 -1.3765000000e-03  2.3463000000e-03  2.5002000000e-03 -9.0380000000e-04  2.5986000000e-03 -1.7029000000e-03 -2.5563000000e-03 -1.6110000000e-04  3.2119000000e-03 -9.4230000000e-04 -1.9108000000e-03 -1.6579000000e-03  3.8124000000e-03
+
+JOB 53
+COORDS  1.1026900000e+00  1.5892310000e+00  4.3432300000e-01  4.3601800000e-01  9.2749800000e-01  6.1841400000e-01  1.0642080000e+00  2.1835990000e+00  1.1836420000e+00 -1.0844840000e+00 -1.5863080000e+00 -4.2969700000e-01 -3.7327200000e-01 -2.1417940000e+00 -7.4882600000e-01 -1.3421650000e+00 -1.0656360000e+00 -1.1904430000e+00
+ENERGY -1.526571545576e+02
+FORCES -3.2250000000e-03 -1.0825000000e-03  4.0863000000e-03  3.7998000000e-03  4.7728000000e-03 -8.0220000000e-04  1.4330000000e-04 -2.2617000000e-03 -2.9202000000e-03  1.2497000000e-03 -1.9243000000e-03 -5.6772000000e-03 -3.2035000000e-03  2.4479000000e-03  1.4822000000e-03  1.2357000000e-03 -1.9522000000e-03  3.8311000000e-03
+
+JOB 54
+COORDS -9.9450000000e-01 -1.2162680000e+00  1.2014820000e+00 -1.8444140000e+00 -1.6358720000e+00  1.3349350000e+00 -4.9716500000e-01 -1.4246380000e+00  1.9923500000e+00  1.0649980000e+00  1.2537580000e+00 -1.2035700000e+00  1.1267850000e+00  1.5288570000e+00 -2.1183020000e+00  1.6677500000e-01  9.3694800000e-01 -1.1083930000e+00
+ENERGY -1.526557275724e+02
+FORCES -7.2040000000e-04 -2.9542000000e-03  4.6446000000e-03  3.4794000000e-03  1.8228000000e-03 -7.1400000000e-04 -2.6297000000e-03  5.1220000000e-04 -3.0582000000e-03 -4.0628000000e-03 -1.1516000000e-03 -2.3946000000e-03 -2.4530000000e-04 -1.0551000000e-03  3.5366000000e-03  4.1789000000e-03  2.8260000000e-03 -2.0144000000e-03
+
+JOB 55
+COORDS -1.0218130000e+00  1.7401490000e+00 -3.4029200000e-01 -3.8590300000e-01  2.2916460000e+00 -7.9603400000e-01 -1.8228270000e+00  2.2637960000e+00 -3.2025200000e-01  1.0380140000e+00 -1.7595770000e+00  3.1336300000e-01  8.2886000000e-01 -1.5766340000e+00  1.2293420000e+00  1.1227940000e+00 -2.7121250000e+00  2.7218200000e-01
+ENERGY -1.526536385613e+02
+FORCES -1.2920000000e-04  4.0634000000e-03 -2.4482000000e-03 -2.9047000000e-03 -1.7948000000e-03  2.0384000000e-03  3.2378000000e-03 -2.2927000000e-03  7.3500000000e-05 -1.4140000000e-03 -2.3826000000e-03  3.7223000000e-03  1.5138000000e-03 -1.4454000000e-03 -3.4398000000e-03 -3.0370000000e-04  3.8520000000e-03  5.3800000000e-05
+
+JOB 56
+COORDS  3.8230500000e-01  2.0719410000e+00 -3.8968400000e-01  1.2042090000e+00  2.1377110000e+00 -8.7587300000e-01  3.7934900000e-01  1.1797780000e+00 -4.2887000000e-02 -4.6539000000e-01 -2.0326410000e+00  4.6686300000e-01  4.0881900000e-01 -2.3538620000e+00  2.4593900000e-01 -7.8744200000e-01 -1.6369570000e+00 -3.4304400000e-01
+ENERGY -1.526548087115e+02
+FORCES  3.4128000000e-03 -3.0200000000e-03  5.5580000000e-04 -3.4456000000e-03 -5.6000000000e-04  1.8275000000e-03  1.5550000000e-04  4.1328000000e-03 -3.0384000000e-03  1.0810000000e-03 -1.9395000000e-03 -4.3206000000e-03 -3.5886000000e-03  2.2442000000e-03  9.4660000000e-04  2.3849000000e-03 -8.5750000000e-04  4.0291000000e-03
+
+JOB 57
+COORDS  1.1672370000e+00  1.3875900000e-01 -1.7353510000e+00  1.9752070000e+00 -3.6673300000e-01 -1.8242080000e+00  4.8780100000e-01 -4.2882700000e-01 -2.0992810000e+00 -1.1587790000e+00 -9.0450000000e-02  1.8254660000e+00 -1.6945870000e+00 -6.1114100000e-01  1.2271170000e+00 -9.0223800000e-01  6.7601000000e-01  1.3126720000e+00
+ENERGY -1.526549163675e+02
+FORCES  1.5959000000e-03 -4.7967000000e-03 -1.9940000000e-03 -3.4316000000e-03  2.1091000000e-03  1.5000000000e-06  2.2673000000e-03  2.5498000000e-03  1.8700000000e-03 -1.3200000000e-04  1.4759000000e-03 -5.1084000000e-03  1.8400000000e-03  1.7150000000e-03  2.3336000000e-03 -2.1396000000e-03 -3.0532000000e-03  2.8972000000e-03
+
+JOB 58
+COORDS -7.6885000000e-01  1.4907760000e+00 -1.4287520000e+00 -5.4006500000e-01  2.3462540000e+00 -1.0653700000e+00 -1.0252260000e+00  9.6807800000e-01 -6.6895600000e-01  8.1231100000e-01 -1.5021300000e+00  1.4096300000e+00  7.6729800000e-01 -2.2334500000e+00  7.9369500000e-01  1.1059000000e-01 -9.1246600000e-01  1.1337410000e+00
+ENERGY -1.526529323595e+02
+FORCES  2.2000000000e-06  2.4600000000e-03  4.2712000000e-03 -1.1858000000e-03 -3.7718000000e-03 -1.5766000000e-03  1.5709000000e-03  8.5990000000e-04 -2.4692000000e-03 -2.4470000000e-03 -1.1632000000e-03 -4.1262000000e-03  1.9300000000e-05  3.0686000000e-03  2.9075000000e-03  2.0405000000e-03 -1.4535000000e-03  9.9340000000e-04
+
+JOB 59
+COORDS -1.1945290000e+00  1.8665300000e+00  2.5597800000e-01 -1.4880390000e+00  1.3198170000e+00 -4.7284800000e-01 -9.7811300000e-01  2.7074630000e+00 -1.4679800000e-01  1.2284080000e+00 -1.9380990000e+00 -1.8115700000e-01  1.5077480000e+00 -1.2188510000e+00 -7.4762200000e-01  4.4706500000e-01 -1.6059010000e+00  2.6086100000e-01
+ENERGY -1.526547219452e+02
+FORCES -1.1405000000e-03  2.5441000000e-03 -4.4815000000e-03  2.0784000000e-03  1.5699000000e-03  3.3107000000e-03 -8.6510000000e-04 -3.7154000000e-03  1.5766000000e-03 -1.7632000000e-03  4.8698000000e-03  4.7450000000e-04 -1.2316000000e-03 -3.1935000000e-03  1.6796000000e-03  2.9220000000e-03 -2.0750000000e-03 -2.5600000000e-03
+
+JOB 60
+COORDS -1.9242450000e+00  1.1392280000e+00  5.6823000000e-02 -1.2896700000e+00  1.5888010000e+00  6.1488300000e-01 -2.0002010000e+00  1.6967210000e+00 -7.1755600000e-01  1.9239180000e+00 -1.2595340000e+00 -2.6579000000e-02  2.3920280000e+00 -4.3169000000e-01 -1.3510700000e-01  1.0044710000e+00 -1.0360730000e+00 -1.7119400000e-01
+ENERGY -1.526550213205e+02
+FORCES  6.7570000000e-04  5.1308000000e-03 -4.8680000000e-04 -2.0312000000e-03 -2.4676000000e-03 -2.8886000000e-03  7.1860000000e-04 -2.5371000000e-03  3.3205000000e-03 -2.5022000000e-03  3.8335000000e-03 -1.2423000000e-03 -1.8920000000e-03 -3.0739000000e-03  5.7730000000e-04  5.0312000000e-03 -8.8580000000e-04  7.1990000000e-04
+
+JOB 61
+COORDS -1.5616720000e+00  1.3606700000e+00 -6.7497100000e-01 -1.6516050000e+00  1.2144440000e+00 -1.6166510000e+00 -2.2404360000e+00  2.0023700000e+00 -4.6584900000e-01  1.5524260000e+00 -1.4389140000e+00  7.1098500000e-01  1.4601250000e+00 -4.8630500000e-01  7.2672100000e-01  2.4936760000e+00 -1.5902750000e+00  7.9683600000e-01
+ENERGY -1.526549761622e+02
+FORCES -3.7666000000e-03  1.5681000000e-03 -3.2057000000e-03  3.8690000000e-04  1.0024000000e-03  3.8722000000e-03  2.8602000000e-03 -2.5488000000e-03 -9.1890000000e-04  2.5612000000e-03  3.9358000000e-03  3.6590000000e-04  1.6913000000e-03 -4.5019000000e-03  2.8470000000e-04 -3.7330000000e-03  5.4440000000e-04 -3.9830000000e-04
+
+JOB 62
+COORDS -6.8420100000e-01  2.7432500000e-01  2.1449570000e+00 -2.2178700000e-01 -4.6511100000e-01  2.5394690000e+00 -3.9937000000e-02  9.8216800000e-01  2.1342410000e+00  6.7523700000e-01 -2.8005700000e-01 -2.2106340000e+00 -5.2324000000e-02  3.4160800000e-01 -2.2311050000e+00  5.4573300000e-01 -7.7448800000e-01 -1.4013140000e+00
+ENERGY -1.526553810265e+02
+FORCES  4.3623000000e-03  3.5740000000e-04  2.9691000000e-03 -1.8851000000e-03  2.9816000000e-03 -2.1885000000e-03 -2.8045000000e-03 -3.2027000000e-03 -3.0700000000e-04 -4.2912000000e-03  4.4970000000e-04  3.5605000000e-03  3.2420000000e-03 -2.2676000000e-03 -3.9970000000e-04  1.3764000000e-03  1.6815000000e-03 -3.6344000000e-03
+
+JOB 63
+COORDS -3.3021300000e-01 -2.1834300000e+00  3.8278800000e-01 -6.0811700000e-01 -1.6985600000e+00  1.1598990000e+00  4.7394000000e-02 -2.9927660000e+00  7.2719800000e-01  3.2830000000e-01  2.1797200000e+00 -3.9564500000e-01 -4.0810700000e-01  2.6845110000e+00 -7.4078600000e-01  9.5338400000e-01  2.1415830000e+00 -1.1195570000e+00
+ENERGY -1.526543156623e+02
+FORCES  5.2210000000e-04 -3.4740000000e-04  4.7642000000e-03  7.7480000000e-04 -2.8754000000e-03 -2.9154000000e-03 -1.4661000000e-03  3.2077000000e-03 -1.5020000000e-03 -3.5110000000e-04  1.1697000000e-03 -4.9103000000e-03  2.9460000000e-03 -1.8959000000e-03  1.5879000000e-03 -2.4257000000e-03  7.4120000000e-04  2.9756000000e-03
+
+JOB 64
+COORDS  2.3069070000e+00  2.8882700000e-01 -3.4653200000e-01  2.6214680000e+00  9.3331800000e-01  2.8743500000e-01  1.6973630000e+00  7.7559300000e-01 -9.0128100000e-01 -2.3009680000e+00 -3.1416300000e-01  2.8784700000e-01 -2.5987110000e+00 -1.2223670000e+00  3.4024100000e-01 -1.8491550000e+00 -1.6147200000e-01  1.1177760000e+00
+ENERGY -1.526548113246e+02
+FORCES -1.4847000000e-03  4.6316000000e-03 -3.1550000000e-04 -1.3978000000e-03 -2.7143000000e-03 -2.3209000000e-03  3.1335000000e-03 -1.7925000000e-03  2.4582000000e-03  9.5150000000e-04 -3.6804000000e-03  3.6509000000e-03  9.3800000000e-04  3.7666000000e-03 -1.4480000000e-04 -2.1405000000e-03 -2.1090000000e-04 -3.3279000000e-03
+
+JOB 65
+COORDS  1.0314160000e+00 -7.1132400000e-01 -1.9853100000e+00  1.0801820000e+00 -1.1929850000e+00 -2.8110560000e+00  1.6182000000e-01 -3.1133400000e-01 -1.9917890000e+00 -9.6352700000e-01  7.2179900000e-01  1.9719050000e+00 -1.5971170000e+00  1.2768260000e+00  2.4265920000e+00 -7.3021800000e-01  4.9669000000e-02  2.6122500000e+00
+ENERGY -1.526544117634e+02
+FORCES -3.7708000000e-03  1.7620000000e-04 -2.7246000000e-03 -1.3870000000e-04  1.8737000000e-03  3.3407000000e-03  3.7512000000e-03 -1.9805000000e-03 -9.5530000000e-04 -1.0426000000e-03 -6.9160000000e-04  4.7621000000e-03  2.5125000000e-03 -2.2760000000e-03 -2.0010000000e-03 -1.3116000000e-03  2.8982000000e-03 -2.4218000000e-03
+
+JOB 66
+COORDS -4.0636100000e-01  2.1281420000e+00 -1.0173440000e+00 -1.0651480000e+00  2.5709020000e+00 -4.8237200000e-01  3.1795000000e-01  2.7516360000e+00 -1.0708190000e+00  4.1736300000e-01 -2.2498980000e+00  9.8129500000e-01  3.8818000000e-02 -1.8153970000e+00  1.7455870000e+00  5.6459400000e-01 -1.5436740000e+00  3.5216700000e-01
+ENERGY -1.526553168492e+02
+FORCES -8.1000000000e-05  5.1888000000e-03  1.3095000000e-03  2.9061000000e-03 -2.0140000000e-03 -2.0091000000e-03 -3.0074000000e-03 -2.7663000000e-03  4.1250000000e-04 -1.1890000000e-03  5.1725000000e-03 -8.0600000000e-05  1.5078000000e-03 -1.9154000000e-03 -2.6725000000e-03 -1.3650000000e-04 -3.6656000000e-03  3.0402000000e-03
+
+JOB 67
+COORDS  3.7563400000e-01 -1.5638330000e+00 -1.9834910000e+00  5.6479000000e-01 -1.4037190000e+00 -1.0589290000e+00  5.1500900000e-01 -7.1688000000e-01 -2.4071390000e+00 -3.9860000000e-01  1.4667170000e+00  1.9079110000e+00  2.1406700000e-01  2.1929320000e+00  2.0240290000e+00 -9.2967100000e-01  1.4711010000e+00  2.7042630000e+00
+ENERGY -1.526551620525e+02
+FORCES  8.3870000000e-04  4.5730000000e-03  2.7460000000e-03 -2.6770000000e-04 -1.2906000000e-03 -4.2753000000e-03 -3.1350000000e-04 -3.4780000000e-03  1.2387000000e-03 -1.6900000000e-04  3.2120000000e-03  4.1837000000e-03 -2.4177000000e-03 -3.1096000000e-03 -6.5570000000e-04  2.3290000000e-03  9.3200000000e-05 -3.2375000000e-03
+
+JOB 68
+COORDS -2.1344000000e-02  1.8018490000e+00  1.9560630000e+00 -5.4512100000e-01  2.6008320000e+00  2.0153500000e+00  8.7936900000e-01  2.0944960000e+00  2.0950100000e+00  2.8411000000e-02 -1.8173000000e+00 -1.9330860000e+00 -3.8703800000e-01 -1.7431180000e+00 -2.7922320000e+00 -6.8852000000e-02 -2.7401630000e+00 -1.6983600000e+00
+ENERGY -1.526534065050e+02
+FORCES  1.7210000000e-03  4.2217000000e-03  3.1360000000e-04  2.0574000000e-03 -3.2310000000e-03 -1.5560000000e-04 -3.7057000000e-03 -1.0672000000e-03 -3.1910000000e-04 -2.3222000000e-03 -3.3082000000e-03 -2.1328000000e-03  1.7582000000e-03 -2.9480000000e-04  3.4078000000e-03  4.9130000000e-04  3.6795000000e-03 -1.1139000000e-03
+
+JOB 69
+COORDS -6.7485500000e-01  2.4613870000e+00 -1.7791700000e+00 -8.6720800000e-01  2.6758630000e+00 -8.6635400000e-01 -1.2281920000e+00  1.7038600000e+00 -1.9694390000e+00  6.6993800000e-01 -2.4090830000e+00  1.7011800000e+00  1.4349880000e+00 -2.9048360000e+00  1.4093600000e+00  7.9016600000e-01 -2.3165000000e+00  2.6462760000e+00
+ENERGY -1.526544463621e+02
+FORCES -2.9074000000e-03 -2.6734000000e-03  3.1961000000e-03  7.1250000000e-04 -5.4850000000e-04 -3.7426000000e-03  2.1043000000e-03  3.2992000000e-03  5.2780000000e-04  3.8402000000e-03 -1.7208000000e-03  2.6064000000e-03 -3.1809000000e-03  1.9664000000e-03  1.2625000000e-03 -5.6870000000e-04 -3.2290000000e-04 -3.8502000000e-03
+
+JOB 70
+COORDS -7.7358400000e-01 -2.9968380000e+00  3.0633600000e-01 -2.0012500000e-01 -3.2712050000e+00 -4.0927400000e-01 -1.6592760000e+00 -3.1221420000e+00 -3.4370000000e-02  8.4540300000e-01  3.0495960000e+00 -2.3150600000e-01  7.4711500000e-01  2.2092150000e+00 -6.7909100000e-01 -5.1001000000e-02  3.3609700000e+00 -1.0605700000e-01
+ENERGY -1.526541677546e+02
+FORCES -1.2497000000e-03 -2.1107000000e-03 -4.1073000000e-03 -2.3999000000e-03  1.3593000000e-03  2.8665000000e-03  3.6629000000e-03  7.1420000000e-04  1.3361000000e-03 -4.1090000000e-03 -2.4622000000e-03 -9.7650000000e-04  4.6910000000e-04  3.6177000000e-03  1.5105000000e-03  3.6266000000e-03 -1.1184000000e-03 -6.2920000000e-04
+
+JOB 71
+COORDS -1.0754010000e+00 -2.9735280000e+00 -5.8596300000e-01 -2.5504400000e-01 -2.7176560000e+00 -1.0075960000e+00 -1.0823420000e+00 -3.9294580000e+00 -6.3475900000e-01  1.0341340000e+00  2.9634090000e+00  5.6612100000e-01  1.7372210000e+00  3.5742490000e+00  7.8697300000e-01  3.1046400000e-01  3.2124410000e+00  1.1410270000e+00
+ENERGY -1.526541863817e+02
+FORCES  3.5001000000e-03 -2.5308000000e-03 -1.9416000000e-03 -3.4247000000e-03 -1.3682000000e-03  1.6592000000e-03 -1.5500000000e-05  3.8412000000e-03  2.2350000000e-04 -3.2500000000e-04  3.4297000000e-03  3.3375000000e-03 -2.8078000000e-03 -2.5089000000e-03 -9.3510000000e-04  3.0729000000e-03 -8.6310000000e-04 -2.3435000000e-03
+
+JOB 72
+COORDS -7.9979700000e-01 -1.8238800000e+00  2.6517660000e+00 -1.5120530000e+00 -2.2699490000e+00  3.1099630000e+00 -1.1760370000e+00 -9.8646900000e-01  2.3808080000e+00  8.5362300000e-01  1.7400960000e+00 -2.6350610000e+00  2.0802600000e-01  2.2245200000e+00 -3.1496200000e+00  1.5987570000e+00  2.3364830000e+00 -2.5620600000e+00
+ENERGY -1.526540051540e+02
+FORCES -4.3409000000e-03  1.7156000000e-03  4.0550000000e-04  2.8897000000e-03  1.7883000000e-03 -1.8083000000e-03  1.3949000000e-03 -3.4608000000e-03  1.4131000000e-03  6.1600000000e-04  4.3137000000e-03 -1.8869000000e-03  2.5604000000e-03 -1.9761000000e-03  2.1817000000e-03 -3.1201000000e-03 -2.3806000000e-03 -3.0510000000e-04
+
+JOB 73
+COORDS  1.3550170000e+00 -2.2076600000e-01  3.3757790000e+00  1.8681980000e+00  4.4166500000e-01  2.9131110000e+00  8.7729500000e-01 -6.7992600000e-01  2.6849920000e+00 -1.3091930000e+00  2.5179900000e-01 -3.2851480000e+00 -2.2340560000e+00  2.7876200000e-01 -3.0399290000e+00 -1.2333500000e+00 -5.1618200000e-01 -3.8514390000e+00
+ENERGY -1.526544130299e+02
+FORCES  1.3980000000e-04  9.2740000000e-04 -4.9015000000e-03 -2.0230000000e-03 -2.6998000000e-03  2.0193000000e-03  1.9025000000e-03  1.7456000000e-03  2.9618000000e-03 -3.5984000000e-03 -2.9309000000e-03 -1.5919000000e-03  3.8533000000e-03 -1.5810000000e-04 -9.0220000000e-04 -2.7420000000e-04  3.1159000000e-03  2.4146000000e-03
+
+JOB 74
+COORDS  8.8545700000e-01 -7.8600900000e-01 -3.4213570000e+00  1.3300620000e+00 -1.0235460000e+00 -2.6076410000e+00  1.3576040000e+00 -1.2659840000e+00 -4.1017490000e+00 -9.4698300000e-01  8.3343900000e-01  3.4743660000e+00 -1.4956950000e+00  1.3228500000e+00  2.8614850000e+00 -3.5809500000e-01  3.2547600000e-01  2.9163190000e+00
+ENERGY -1.526541086608e+02
+FORCES  3.8397000000e-03 -3.0141000000e-03  2.6270000000e-04 -1.9438000000e-03  1.0655000000e-03 -3.1115000000e-03 -1.9336000000e-03  1.9706000000e-03  2.8353000000e-03  2.7900000000e-05  4.7000000000e-06 -4.8455000000e-03  2.2826000000e-03 -2.0162000000e-03  2.5749000000e-03 -2.2729000000e-03  1.9895000000e-03  2.2841000000e-03
+
+JOB 75
+COORDS  1.2197500000e+00  3.2850940000e+00  1.2444870000e+00  1.6181330000e+00  3.1942080000e+00  2.1100870000e+00  4.0464300000e-01  3.7608310000e+00  1.4041990000e+00 -1.1449130000e+00 -3.2857980000e+00 -1.3352810000e+00 -2.0533110000e+00 -2.9927150000e+00 -1.4070210000e+00 -1.1489910000e+00 -3.9031800000e+00 -6.0380700000e-01
+ENERGY -1.526538122957e+02
+FORCES -1.6687000000e-03  1.4626000000e-03  4.1123000000e-03 -1.6413000000e-03  4.0600000000e-04 -3.5026000000e-03  3.3020000000e-03 -1.9218000000e-03 -6.3090000000e-04 -3.6352000000e-03 -1.1487000000e-03  2.7129000000e-03  3.6514000000e-03 -1.2663000000e-03  2.8910000000e-04 -8.1000000000e-06  2.4681000000e-03 -2.9808000000e-03
+
+JOB 76
+COORDS -3.0059300000e-01  3.1310710000e+00  2.4858120000e+00 -9.2452100000e-01  3.6030880000e+00  3.0373060000e+00 -5.9790400000e-01  2.2215730000e+00  2.5113470000e+00  3.6293600000e-01 -3.1427180000e+00 -2.5701370000e+00 -3.0475800000e-01 -3.2011690000e+00 -1.8867630000e+00  9.0304200000e-01 -2.3949050000e+00 -2.3146100000e+00
+ENERGY -1.526540201758e+02
+FORCES -3.8009000000e-03 -1.6044000000e-03  2.4872000000e-03  2.5548000000e-03 -1.9813000000e-03 -2.2748000000e-03  1.2644000000e-03  3.5919000000e-03 -2.3810000000e-04 -4.4330000000e-04  2.8655000000e-03  3.7435000000e-03  2.6894000000e-03  2.4240000000e-04 -2.7273000000e-03 -2.2645000000e-03 -3.1142000000e-03 -9.9050000000e-04
+
+JOB 77
+COORDS  7.6282500000e-01 -6.7993200000e-01  4.0789430000e+00  5.9896700000e-01  5.0616000000e-02  3.4825520000e+00  1.5306760000e+00 -1.1199210000e+00  3.7141870000e+00 -7.6418000000e-01  6.1701100000e-01 -3.9897890000e+00 -5.4907800000e-01  9.5318500000e-01 -4.8598190000e+00 -1.5579520000e+00  1.0897080000e+00 -3.7393580000e+00
+ENERGY -1.526542433151e+02
+FORCES  2.4570000000e-03  1.1236000000e-03 -4.0858000000e-03  6.4260000000e-04 -2.9083000000e-03  2.5348000000e-03 -3.0914000000e-03  1.7947000000e-03  1.5835000000e-03 -2.4442000000e-03  3.2457000000e-03 -2.6532000000e-03 -8.5830000000e-04 -1.3545000000e-03  3.5802000000e-03  3.2943000000e-03 -1.9012000000e-03 -9.5960000000e-04
+
+JOB 78
+COORDS -2.2568000000e-02  1.5301080000e+00  3.9609430000e+00  9.0957000000e-01  1.6186580000e+00  4.1597160000e+00 -4.9347000000e-02  1.3058140000e+00  3.0307780000e+00 -5.3385000000e-02 -1.5373160000e+00 -3.8672290000e+00 -2.6427000000e-01 -1.7472570000e+00 -4.7770000000e+00  7.7314100000e-01 -1.0571120000e+00 -3.9171320000e+00
+ENERGY -1.526541401820e+02
+FORCES  3.6062000000e-03 -6.6470000000e-04 -3.0593000000e-03 -3.7667000000e-03 -3.2310000000e-04 -7.9150000000e-04  1.8660000000e-04  1.0085000000e-03  3.8583000000e-03  2.4374000000e-03  1.0182000000e-03 -4.0538000000e-03  8.9430000000e-04  8.7640000000e-04  3.7278000000e-03 -3.3579000000e-03 -1.9153000000e-03  3.1850000000e-04
+
+JOB 79
+COORDS  1.3783290000e+00 -3.1113030000e+00  2.6451380000e+00  1.1792440000e+00 -3.6757860000e+00  3.3921020000e+00  6.1692100000e-01 -3.1953220000e+00  2.0711770000e+00 -1.3625090000e+00  3.0984140000e+00 -2.6653490000e+00 -1.5824980000e+00  4.0064950000e+00 -2.4574420000e+00 -4.1071300000e-01  3.0992800000e+00 -2.7669210000e+00
+ENERGY -1.526541994276e+02
+FORCES -3.9952000000e-03 -2.6081000000e-03  6.5380000000e-04  8.3560000000e-04  2.2911000000e-03 -3.0215000000e-03  3.1554000000e-03  2.9200000000e-04  2.3808000000e-03  3.0576000000e-03  3.7139000000e-03  4.7710000000e-04  8.6590000000e-04 -3.6958000000e-03 -8.6240000000e-04 -3.9192000000e-03  7.0000000000e-06  3.7230000000e-04
+
+JOB 80
+COORDS -6.3537500000e-01  4.4929260000e+00  1.2005040000e+00 -9.9849000000e-01  5.2843020000e+00  1.5981280000e+00 -9.3935400000e-01  3.7805650000e+00  1.7629720000e+00  6.8281700000e-01 -4.5492430000e+00 -1.2256160000e+00  1.3139080000e+00 -3.8381790000e+00 -1.3367190000e+00 -9.2963000000e-02 -4.2587040000e+00 -1.7051830000e+00
+ENERGY -1.526541848354e+02
+FORCES -2.7203000000e-03  3.9090000000e-04  3.9792000000e-03  1.4758000000e-03 -3.2402000000e-03 -1.6327000000e-03  1.2456000000e-03  2.8705000000e-03 -2.3482000000e-03 -5.5160000000e-04  4.1195000000e-03 -2.4628000000e-03 -2.5839000000e-03 -2.9317000000e-03  4.8120000000e-04  3.1344000000e-03 -1.2090000000e-03  1.9833000000e-03
+
+JOB 81
+COORDS -9.5797500000e-01  1.4334360000e+00 -4.4410660000e+00 -1.4187860000e+00  7.3568300000e-01 -3.9752050000e+00 -1.5176650000e+00  2.2027490000e+00 -4.3355330000e+00  9.6046400000e-01 -1.4014980000e+00  4.4227240000e+00  1.0300940000e+00 -2.3209290000e+00  4.1657600000e+00  1.8644770000e+00 -1.0871920000e+00  4.4370460000e+00
+ENERGY -1.526541627935e+02
+FORCES -4.1813000000e-03  3.1530000000e-04  2.4065000000e-03  1.8901000000e-03  2.8170000000e-03 -1.9491000000e-03  2.2836000000e-03 -3.1313000000e-03 -4.7050000000e-04  4.0339000000e-03 -2.4564000000e-03 -9.8030000000e-04 -3.2120000000e-04  3.7458000000e-03  1.0378000000e-03 -3.7050000000e-03 -1.2903000000e-03 -4.4400000000e-05
+
+JOB 82
+COORDS -2.9448440000e+00  4.4894830000e+00 -2.1079000000e-01 -2.5644960000e+00  3.6178800000e+00 -1.0181600000e-01 -2.2526430000e+00  5.0897440000e+00  6.6297000000e-02  2.8859150000e+00 -4.4383680000e+00  1.3929200000e-01  3.6235660000e+00 -4.6538320000e+00  7.0997400000e-01  2.1470080000e+00 -4.9212320000e+00  5.0955000000e-01
+ENERGY -1.526541448662e+02
+FORCES  4.4216000000e-03 -1.1425000000e-03  1.5244000000e-03 -1.5890000000e-03  3.5735000000e-03 -4.0920000000e-04 -2.8402000000e-03 -2.4218000000e-03 -1.1076000000e-03  2.3400000000e-05 -2.9352000000e-03  3.8071000000e-03 -3.0206000000e-03  9.1110000000e-04 -2.3171000000e-03  3.0048000000e-03  2.0148000000e-03 -1.4975000000e-03
+
+JOB 83
+COORDS -1.0189490000e+00 -5.0809350000e+00 -2.1213580000e+00 -1.1742690000e+00 -4.1365630000e+00 -2.1049950000e+00 -1.9056100000e-01 -5.1798080000e+00 -2.5906430000e+00  1.0303570000e+00  5.0879390000e+00  2.1590460000e+00  9.6884100000e-01  4.6016320000e+00  1.3368820000e+00  3.4709800000e-01  4.7103200000e+00  2.7129340000e+00
+ENERGY -1.526540119453e+02
+FORCES  2.7569000000e-03  3.3854000000e-03 -1.8884000000e-03  6.3210000000e-04 -3.8127000000e-03 -3.4200000000e-05 -3.3912000000e-03  4.3500000000e-04  1.9308000000e-03 -3.0498000000e-03 -3.4886000000e-03 -1.0469000000e-03  2.5610000000e-04  1.9549000000e-03  3.3307000000e-03  2.7959000000e-03  1.5261000000e-03 -2.2920000000e-03
+
+JOB 84
+COORDS  1.2036800000e-01  5.6699870000e+00 -9.1191900000e-01 -8.3450100000e-01  5.6064720000e+00 -9.3249300000e-01  3.7161500000e-01  5.2440330000e+00 -9.2364000000e-02 -3.5424000000e-02 -5.6926450000e+00  8.7494300000e-01 -4.4991100000e-01 -5.3712470000e+00  7.4233000000e-02 -4.6997700000e-01 -5.2122050000e+00  1.5796230000e+00
+ENERGY -1.526540209742e+02
+FORCES -2.8418000000e-03 -1.9428000000e-03  3.2656000000e-03  3.8924000000e-03  2.2510000000e-04  8.4500000000e-05 -1.0508000000e-03  1.7108000000e-03 -3.3516000000e-03 -3.4527000000e-03  3.2331000000e-03 -4.1730000000e-04  1.6814000000e-03 -1.2925000000e-03  3.2899000000e-03  1.7714000000e-03 -1.9336000000e-03 -2.8710000000e-03
+
+JOB 85
+COORDS -3.9079400000e-01  6.3441880000e+00 -3.5567840000e+00 -6.6745000000e-01  5.4675700000e+00 -3.8236830000e+00 -6.0747500000e-01  6.3911100000e+00 -2.6256130000e+00  4.6276000000e-01 -6.2940870000e+00  3.4769750000e+00 -4.8389200000e-01 -6.2306640000e+00  3.3502490000e+00  5.7103300000e-01 -6.4150860000e+00  4.4203030000e+00
+ENERGY -1.526540790735e+02
+FORCES -1.9877000000e-03 -3.4036000000e-03  2.7098000000e-03  1.1133000000e-03  3.5858000000e-03  1.0876000000e-03  8.7140000000e-04 -1.8140000000e-04 -3.7967000000e-03 -3.4068000000e-03 -2.7160000000e-04  3.3448000000e-03  3.8588000000e-03 -2.3630000000e-04  5.0750000000e-04 -4.4890000000e-04  5.0710000000e-04 -3.8531000000e-03
+
+JOB 86
+COORDS  1.6390360000e+00  6.2554950000e+00  3.5735400000e+00  9.4095800000e-01  6.3847910000e+00  2.9315100000e+00  2.3097880000e+00  6.8936800000e+00  3.3305500000e+00 -1.6845780000e+00 -6.2766020000e+00 -3.5589840000e+00 -1.0709030000e+00 -5.7725890000e+00 -3.0245630000e+00 -1.4453580000e+00 -7.1900450000e+00 -3.4020500000e+00
+ENERGY -1.526540985287e+02
+FORCES -1.2400000000e-04  3.1466000000e-03 -3.6082000000e-03  2.8545000000e-03 -5.3470000000e-04  2.6190000000e-03 -2.7302000000e-03 -2.6098000000e-03  9.9100000000e-04  3.4791000000e-03 -1.6714000000e-03  2.8387000000e-03 -2.5033000000e-03 -2.0542000000e-03 -2.1923000000e-03 -9.7610000000e-04  3.7234000000e-03 -6.4810000000e-04
+
+JOB 87
+COORDS -5.5178600000e+00 -5.9999670000e+00 -6.2222400000e-01 -4.5608010000e+00 -6.0015830000e+00 -6.3855500000e-01 -5.7733320000e+00 -6.2855760000e+00 -1.4993750000e+00  5.4622770000e+00  6.0698180000e+00  6.4798700000e-01  6.2976800000e+00  5.6094770000e+00  5.6787100000e-01  4.9262480000e+00  5.5000700000e+00  1.1996140000e+00
+ENERGY -1.526540688482e+02
+FORCES  2.8473000000e-03 -1.1737000000e-03 -3.6549000000e-03 -3.8961000000e-03  1.0000000000e-05  7.3900000000e-05  1.0488000000e-03  1.1643000000e-03  3.5818000000e-03  1.2176000000e-03 -4.1910000000e-03  1.9366000000e-03 -3.4085000000e-03  1.8726000000e-03  3.2070000000e-04  2.1909000000e-03  2.3177000000e-03 -2.2581000000e-03
+
+JOB 88
+COORDS -6.3364230000e+00 -3.0437580000e+00 -5.4584080000e+00 -6.3857680000e+00 -2.4561590000e+00 -4.7044030000e+00 -7.1844360000e+00 -3.4874910000e+00 -5.4727640000e+00  6.3767540000e+00  3.0986100000e+00  5.4264130000e+00  6.5156730000e+00  2.3978340000e+00  6.0634730000e+00  6.3009680000e+00  2.6471710000e+00  4.5857630000e+00
+ENERGY -1.526540832604e+02
+FORCES -3.6709000000e-03  5.9430000000e-04  3.0093000000e-03  2.0810000000e-04 -2.4017000000e-03 -3.0718000000e-03  3.4626000000e-03  1.8069000000e-03  6.1600000000e-05  2.6650000000e-04 -4.7012000000e-03 -8.3840000000e-04 -5.7090000000e-04  2.8594000000e-03 -2.5947000000e-03  3.0460000000e-04  1.8423000000e-03  3.4339000000e-03
+
+JOB 89
+COORDS  3.1151680000e+00 -7.7082260000e+00  3.2316800000e+00  2.2427620000e+00 -8.1020810000e+00  3.2358990000e+00  3.7129720000e+00 -8.4501240000e+00  3.1397550000e+00 -3.0680300000e+00  7.7876850000e+00 -3.2834810000e+00 -2.8842690000e+00  8.1837150000e+00 -2.4316460000e+00 -3.7608670000e+00  7.1510430000e+00 -3.1077070000e+00
+ENERGY -1.526540781023e+02
+FORCES -1.1111000000e-03 -4.6371000000e-03 -3.6490000000e-04  3.5540000000e-03  1.6106000000e-03 -1.3900000000e-05 -2.4420000000e-03  3.0263000000e-03  3.7820000000e-04 -2.0614000000e-03 -9.9450000000e-04  4.1998000000e-03 -7.5690000000e-04 -1.6078000000e-03 -3.4776000000e-03  2.8174000000e-03  2.6024000000e-03 -7.2160000000e-04
+
+JOB 0
+COORDS  6.3544600000e-01 -2.8424600000e-01 -1.0975430000e+00  1.1119040000e+00  5.4245800000e-01 -1.1735700000e+00  1.2702970000e+00 -8.9332000000e-01 -7.2041700000e-01 -6.7616100000e-01  2.7028100000e-01  1.1466280000e+00 -1.5183640000e+00  6.0978100000e-01  8.4386400000e-01 -2.3759800000e-01 -2.8749000000e-02  3.5008800000e-01
+ENERGY -1.526588710800e+02
+FORCES  7.3500000000e-04  3.4639000000e-03  5.8346000000e-03 -3.1836000000e-03 -4.9672000000e-03  1.5495000000e-03 -5.4135000000e-03  4.9373000000e-03  3.5140000000e-04  5.8928000000e-03 -4.2029000000e-03 -1.8027800000e-02  2.7925000000e-03 -4.7500000000e-04 -2.5600000000e-05 -8.2320000000e-04  1.2439000000e-03  1.0318000000e-02
+
+JOB 1
+COORDS -2.7064300000e-01  9.0850900000e-01 -9.6728100000e-01 -1.0599500000e-01  4.2098700000e-01 -1.6016000000e-01 -1.0039170000e+00  1.4855310000e+00 -7.5377300000e-01  2.9855300000e-01 -8.5163900000e-01  8.8166700000e-01  1.1264070000e+00 -1.3260720000e+00  9.5784800000e-01 -3.5984000000e-01 -1.4634160000e+00  1.2110300000e+00
+ENERGY -1.526585358956e+02
+FORCES  3.6234000000e-03 -1.0524400000e-02  1.2225900000e-02 -2.9657000000e-03  6.6598000000e-03 -4.4767000000e-03  1.7563000000e-03 -3.4246000000e-03  1.2545000000e-03 -1.4320000000e-03  4.2691000000e-03 -8.8287000000e-03 -5.0479000000e-03  5.7050000000e-04  7.6690000000e-04  4.0660000000e-03  2.4497000000e-03 -9.4180000000e-04
+
+JOB 2
+COORDS  9.9268500000e-01 -8.4087300000e-01  1.3888300000e-01  4.2915100000e-01 -1.3410460000e+00  7.2921300000e-01  1.6905500000e+00 -5.0440200000e-01  7.0102400000e-01 -1.0468070000e+00  8.8607000000e-01 -2.4769500000e-01 -8.4434200000e-01  9.3324800000e-01  6.8665700000e-01 -4.0745200000e-01  2.6741400000e-01 -6.0085500000e-01
+ENERGY -1.526560014920e+02
+FORCES -3.8085000000e-03  4.4658000000e-03  3.1214000000e-03  2.0870000000e-03  4.6128000000e-03 -2.7695000000e-03 -4.5632000000e-03 -1.6875000000e-03 -1.4448000000e-03  1.4594600000e-02 -8.8125000000e-03  3.6854000000e-03 -1.8337000000e-03  2.8700000000e-05 -3.3610000000e-04 -6.4762000000e-03  1.3927000000e-03 -2.2564000000e-03
+
+JOB 3
+COORDS  1.1661190000e+00 -3.3035300000e-01 -6.2570800000e-01  1.4149900000e+00 -1.2524560000e+00 -6.8911500000e-01  5.2051300000e-01 -3.0403800000e-01  8.0501000000e-02 -1.0737220000e+00  3.6915600000e-01  5.8300200000e-01 -1.5885190000e+00  3.0382900000e-01  1.3873330000e+00 -1.7162030000e+00  5.7013000000e-01 -9.7482000000e-02
+ENERGY -1.526591499882e+02
+FORCES -1.1041500000e-02  1.9744000000e-03  7.2579000000e-03 -2.4209000000e-03  2.7484000000e-03  1.3195000000e-03  7.6242000000e-03 -3.2824000000e-03 -3.0591000000e-03  2.6777000000e-03 -5.5400000000e-04 -6.2565000000e-03  2.1325000000e-03 -1.1130000000e-04 -4.5548000000e-03  1.0279000000e-03 -7.7520000000e-04  5.2929000000e-03
+
+JOB 4
+COORDS -4.8512700000e-01  9.9572000000e-02 -1.1969050000e+00 -1.3535420000e+00 -2.2119900000e-01 -9.5360700000e-01 -6.4446300000e-01  6.8633900000e-01 -1.9361940000e+00  4.9659700000e-01 -9.5186000000e-02  1.2741980000e+00  1.2666200000e+00 -6.6111900000e-01  1.3291150000e+00  4.6413300000e-01  1.7757200000e-01  3.5725700000e-01
+ENERGY -1.526604051494e+02
+FORCES -2.3865000000e-03 -9.2570000000e-04  5.7331000000e-03  3.8238000000e-03  2.5287000000e-03 -3.4286000000e-03 -1.3900000000e-04 -3.0921000000e-03  3.8710000000e-03 -1.9064000000e-03  8.2450000000e-04 -1.3108100000e-02 -2.4285000000e-03  1.7582000000e-03 -1.4501000000e-03  3.0367000000e-03 -1.0936000000e-03  8.3827000000e-03
+
+JOB 5
+COORDS -2.7778900000e-01  9.3285000000e-01  1.0321960000e+00 -4.8071500000e-01  2.3464000000e-01  4.0965600000e-01  5.9856700000e-01  7.2069400000e-01  1.3534760000e+00  2.0563500000e-01 -8.2059500000e-01 -9.9276900000e-01  3.2330800000e-01 -1.6576050000e+00 -5.4354900000e-01  6.5215500000e-01 -9.3370400000e-01 -1.8318510000e+00
+ENERGY -1.526564635719e+02
+FORCES  5.8894000000e-03 -7.8022000000e-03 -1.1223200000e-02 -2.8497000000e-03 -5.5700000000e-04  6.5447000000e-03 -2.3244000000e-03  5.5460000000e-04  6.3990000000e-04  1.2917000000e-03  3.0578000000e-03  2.7900000000e-04 -8.0770000000e-04  5.9134000000e-03 -7.8000000000e-04 -1.1992000000e-03 -1.1665000000e-03  4.5397000000e-03
+
+JOB 6
+COORDS  1.0693580000e+00 -7.2734700000e-01  2.5134900000e-01  1.3538390000e+00 -1.5143380000e+00 -2.1335300000e-01  1.8577710000e+00 -4.1085700000e-01  6.9233800000e-01 -1.1875050000e+00  7.7794900000e-01 -2.3200400000e-01 -7.6055700000e-01  8.6055500000e-01 -1.0847200000e+00 -5.7380500000e-01  2.6632000000e-01  2.9510000000e-01
+ENERGY -1.526592192776e+02
+FORCES -1.0709000000e-03  5.3600000000e-05 -1.4811000000e-03  1.6520000000e-04  4.3958000000e-03  2.0892000000e-03 -3.8454000000e-03 -1.9099000000e-03 -2.6401000000e-03  1.2762300000e-02 -7.4919000000e-03 -4.4800000000e-04 -2.6222000000e-03  9.0610000000e-04  6.6050000000e-04 -5.3890000000e-03  4.0462000000e-03  1.8194000000e-03
+
+JOB 7
+COORDS -9.7819100000e-01  2.6653100000e-01  8.7512600000e-01 -1.0606800000e+00  9.9114500000e-01  1.4950960000e+00 -1.8686270000e+00  1.2204100000e-01  5.5500200000e-01  1.0939240000e+00 -3.2977500000e-01 -9.0288100000e-01  3.9054700000e-01 -2.3998400000e-01 -1.5458670000e+00  7.4603700000e-01  7.5359000000e-02 -1.0848000000e-01
+ENERGY -1.526579264504e+02
+FORCES -2.3957000000e-03 -7.7400000000e-04 -2.3351000000e-03  1.1312000000e-03 -3.5486000000e-03 -3.7710000000e-03  3.8807000000e-03  1.6306000000e-03  1.7775000000e-03 -1.2032500000e-02  3.1894000000e-03  6.5431000000e-03  2.1752000000e-03 -9.9800000000e-04  8.4000000000e-06  7.2411000000e-03  5.0060000000e-04 -2.2229000000e-03
+
+JOB 8
+COORDS  3.5014300000e-01  1.1498670000e+00 -5.9485700000e-01  1.1916940000e+00  1.2985970000e+00 -1.0260220000e+00  9.1651000000e-02  2.0120490000e+00 -2.6919600000e-01 -3.5823300000e-01 -1.2738470000e+00  5.9528800000e-01 -1.2853200000e-01 -4.8865200000e-01  9.8359000000e-02 -1.0463390000e+00 -9.8557200000e-01  1.1949870000e+00
+ENERGY -1.526605528008e+02
+FORCES  1.1597000000e-03 -2.9510000000e-04  2.3259000000e-03 -4.3358000000e-03  5.2160000000e-04  2.2755000000e-03  2.0108000000e-03 -3.5542000000e-03 -2.0460000000e-03  1.2878000000e-03  1.2149300000e-02 -3.9435000000e-03 -1.9769000000e-03 -8.5233000000e-03  2.9484000000e-03  1.8544000000e-03 -2.9840000000e-04 -1.5603000000e-03
+
+JOB 9
+COORDS -2.8397400000e-01  1.3665250000e+00 -3.7821500000e-01 -3.5077400000e-01  4.1670200000e-01 -2.8021000000e-01 -1.1903270000e+00  1.6738790000e+00 -3.6116000000e-01  2.6359300000e-01 -1.3242210000e+00  3.6957600000e-01  7.1790200000e-01 -2.1318890000e+00  1.2976900000e-01  9.5963900000e-01 -7.3405000000e-01  6.5845200000e-01
+ENERGY -1.526606199124e+02
+FORCES -3.6508000000e-03 -7.4565000000e-03  3.6860000000e-04  3.0167000000e-03  8.9548000000e-03  1.8712000000e-03  2.7455000000e-03 -1.6853000000e-03 -2.4330000000e-04  4.6441000000e-03 -1.1041000000e-03 -3.7380000000e-04 -9.6660000000e-04  3.7487000000e-03  2.2776000000e-03 -5.7888000000e-03 -2.4575000000e-03 -3.9001000000e-03
+
+JOB 10
+COORDS -1.0754720000e+00  3.3390600000e-01  7.8939400000e-01 -5.4758400000e-01  8.6798700000e-01  1.3829620000e+00 -1.9273530000e+00  2.6649900000e-01  1.2206550000e+00  1.1103130000e+00 -4.2150000000e-01 -8.3826800000e-01  1.5103250000e+00  2.2676900000e-01 -1.4178970000e+00  3.7637300000e-01  3.9879000000e-02 -4.3244300000e-01
+ENERGY -1.526589312619e+02
+FORCES -1.8003000000e-03 -1.5337000000e-03  2.3163000000e-03 -1.9969000000e-03 -2.4600000000e-03 -5.0353000000e-03  4.2485000000e-03  1.3182000000e-03 -1.7660000000e-04 -7.4404000000e-03  2.6722000000e-03  1.8517000000e-03 -2.1184000000e-03 -1.4187000000e-03  2.8656000000e-03  9.1074000000e-03  1.4220000000e-03 -1.8216000000e-03
+
+JOB 11
+COORDS -1.2486700000e+00 -3.7107700000e-01 -4.2037900000e-01 -1.3550780000e+00 -1.3192880000e+00 -4.9656700000e-01 -1.9595810000e+00 -6.6690000000e-03 -9.4767800000e-01  1.3451480000e+00  3.6432200000e-01  4.7442500000e-01  1.3965710000e+00  1.3171180000e+00  3.9848700000e-01  4.4799600000e-01  1.5118200000e-01  2.1767300000e-01
+ENERGY -1.526611406064e+02
+FORCES -1.6720000000e-04 -6.4740000000e-04 -1.9076000000e-03 -1.9620000000e-04  5.0082000000e-03 -1.1120000000e-04  2.4713000000e-03 -2.9521000000e-03  2.2169000000e-03 -1.0394500000e-02  5.4710000000e-04 -3.8529000000e-03 -4.5850000000e-04 -2.5628000000e-03 -3.0400000000e-05  8.7451000000e-03  6.0700000000e-04  3.6851000000e-03
+
+JOB 12
+COORDS  4.2724200000e-01 -1.0919580000e+00 -7.3791600000e-01  7.1863800000e-01 -1.9666200000e+00 -4.8045500000e-01  1.1277340000e+00 -7.6151300000e-01 -1.3003640000e+00 -4.4984400000e-01  1.1708200000e+00  8.0145700000e-01 -1.2656810000e+00  1.3706650000e+00  3.4243300000e-01 -2.7559700000e-01  2.5306800000e-01  5.9264500000e-01
+ENERGY -1.526608639925e+02
+FORCES  4.4597000000e-03  8.9310000000e-04 -2.2210000000e-03 -1.0944000000e-03  4.6838000000e-03 -8.8920000000e-04 -3.0800000000e-03 -3.2733000000e-03  2.1892000000e-03  4.6000000000e-06 -8.5550000000e-03 -6.5285000000e-03  2.5190000000e-03 -1.9410000000e-04  1.3372000000e-03 -2.8089000000e-03  6.4455000000e-03  6.1123000000e-03
+
+JOB 13
+COORDS  1.1127440000e+00  7.4354800000e-01  5.8867300000e-01  1.0494250000e+00  1.1400600000e-01  1.3069340000e+00  3.3263400000e-01  1.2907070000e+00  6.7965300000e-01 -1.0896420000e+00 -6.8373100000e-01 -6.5059500000e-01 -1.4856820000e+00 -1.5498560000e+00 -7.4657400000e-01 -2.4064900000e-01 -8.5201600000e-01 -2.4178900000e-01
+ENERGY -1.526568242209e+02
+FORCES -5.5484000000e-03  3.2967000000e-03  2.9134000000e-03 -1.0535000000e-03 -2.3700000000e-05 -6.1303000000e-03  4.9677000000e-03 -2.5119000000e-03  5.6640000000e-04  5.4166000000e-03 -9.2200000000e-04  1.6840000000e-04  3.0073000000e-03  3.3644000000e-03  1.2931000000e-03 -6.7897000000e-03 -3.2035000000e-03  1.1890000000e-03
+
+JOB 14
+COORDS -3.7716200000e-01 -1.1971600000e+00 -6.8783800000e-01 -6.1321900000e-01 -1.1338110000e+00  2.3763200000e-01 -1.1615830000e+00 -1.5445860000e+00 -1.1123520000e+00  4.9080900000e-01  1.2269250000e+00  6.3082100000e-01 -9.3409000000e-02  4.8217300000e-01  4.8846900000e-01  6.8120000000e-02  1.7345370000e+00  1.3235670000e+00
+ENERGY -1.526498664289e+02
+FORCES -3.8542000000e-03 -2.2754000000e-03  6.9540000000e-04  2.8347000000e-03  9.9206000000e-03 -4.0390000000e-03  4.2425000000e-03  1.5181000000e-03  2.2170000000e-03 -3.3805000000e-03 -2.3498000000e-03 -2.8577000000e-03 -7.8190000000e-04 -3.4663000000e-03  7.2688000000e-03  9.3930000000e-04 -3.3471000000e-03 -3.2846000000e-03
+
+JOB 15
+COORDS -3.0064100000e-01  1.3453170000e+00  5.7801800000e-01  5.5815600000e-01  1.5787990000e+00  9.3042000000e-01 -1.6423300000e-01  4.9726100000e-01  1.5561400000e-01  2.5484100000e-01 -1.2591990000e+00 -5.2883000000e-01 -1.4214000000e-02 -2.1559640000e+00 -3.2969400000e-01  3.4314800000e-01 -1.2411440000e+00 -1.4817760000e+00
+ENERGY -1.526616204740e+02
+FORCES  4.3441000000e-03 -9.3833000000e-03 -2.0509000000e-03 -2.4439000000e-03 -5.1930000000e-04 -1.1295000000e-03 -1.4345000000e-03  9.6218000000e-03  1.4247000000e-03 -1.7523000000e-03 -3.0425000000e-03 -7.7930000000e-04  1.9884000000e-03  3.5013000000e-03 -2.5233000000e-03 -7.0190000000e-04 -1.7800000000e-04  5.0583000000e-03
+
+JOB 16
+COORDS -4.5809900000e-01  1.7839300000e-01  1.4239340000e+00 -6.3163000000e-02  1.2575900000e-01  5.5359700000e-01 -1.3184730000e+00 -2.2856300000e-01  1.3220680000e+00  4.8365400000e-01 -1.1814200000e-01 -1.3077420000e+00  7.8102000000e-01  1.6499100000e-01 -2.1724040000e+00  1.8692700000e-01 -1.0186740000e+00 -1.4389960000e+00
+ENERGY -1.526597907205e+02
+FORCES  7.9370000000e-04  2.6130000000e-04 -9.1089000000e-03 -3.5276000000e-03 -2.7909000000e-03  8.0355000000e-03  2.9525000000e-03  4.4330000000e-04 -8.3200000000e-05  8.8880000000e-04  7.1900000000e-05 -3.4036000000e-03 -1.6892000000e-03 -3.0910000000e-03  2.9774000000e-03  5.8180000000e-04  5.1054000000e-03  1.5827000000e-03
+
+JOB 17
+COORDS -9.5750300000e-01 -5.0411500000e-01 -9.1258700000e-01 -1.2147060000e+00 -7.3333300000e-01 -1.8056360000e+00 -1.0227250000e+00 -1.3256570000e+00 -4.2571200000e-01  9.8962400000e-01  5.8974200000e-01  9.9230700000e-01  2.3237300000e-01  7.5598300000e-01  4.3091000000e-01  1.4729440000e+00 -1.0429700000e-01  5.4403900000e-01
+ENERGY -1.526595312095e+02
+FORCES -1.5220000000e-03 -3.7619000000e-03 -8.5340000000e-04  1.4246000000e-03  6.6000000000e-06  4.3293000000e-03  8.7910000000e-04  3.6950000000e-03 -3.2066000000e-03 -4.2726000000e-03 -3.1590000000e-03 -8.9613000000e-03  3.7103000000e-03  2.0676000000e-03  5.7145000000e-03 -2.1930000000e-04  1.1517000000e-03  2.9775000000e-03
+
+JOB 18
+COORDS -6.9526800000e-01 -4.5976200000e-01  1.1326380000e+00 -9.0464700000e-01 -1.3982100000e-01  2.0101520000e+00 -1.1473040000e+00 -1.3011550000e+00  1.0697710000e+00  7.7100500000e-01  5.4680000000e-01 -1.1901430000e+00  3.2565200000e-01  2.0853500000e-01 -4.1331000000e-01  5.9222700000e-01 -1.0197600000e-01 -1.8708480000e+00
+ENERGY -1.526609233614e+02
+FORCES -1.6653000000e-03 -3.1020000000e-04  2.8001000000e-03 -3.7300000000e-05 -2.9195000000e-03 -3.5633000000e-03  1.9685000000e-03  4.0186000000e-03  5.6250000000e-04 -5.2733000000e-03 -4.6892000000e-03  6.0852000000e-03  4.7916000000e-03  2.3891000000e-03 -8.2474000000e-03  2.1570000000e-04  1.5112000000e-03  2.3629000000e-03
+
+JOB 19
+COORDS -8.1660200000e-01 -8.2316300000e-01  9.1385200000e-01 -1.1985140000e+00 -1.6096400000e-01  1.4899320000e+00 -1.4557620000e+00 -9.2520600000e-01  2.0866200000e-01  8.6330800000e-01  8.3799700000e-01 -9.6896600000e-01  4.3210600000e-01  9.1166600000e-01 -1.1757300000e-01  1.4312910000e+00  7.2131000000e-02 -8.8484500000e-01
+ENERGY -1.526571987886e+02
+FORCES -5.2306000000e-03  2.4370000000e-04 -2.4636000000e-03  3.5796000000e-03 -1.3140000000e-03 -4.0873000000e-03  2.6490000000e-03  4.6500000000e-04  4.1773000000e-03 -1.5617000000e-03 -7.5859000000e-03  7.6253000000e-03  1.1118000000e-03  4.9339000000e-03 -3.0783000000e-03 -5.4810000000e-04  3.2573000000e-03 -2.1735000000e-03
+
+JOB 20
+COORDS -7.4800100000e-01  1.3214940000e+00  1.8278300000e-01 -6.3013800000e-01  3.7958600000e-01  5.9696000000e-02 -9.0611400000e-01  1.6607190000e+00 -6.9821600000e-01  6.8744300000e-01 -1.2763860000e+00 -1.3871000000e-01  1.3563230000e+00 -1.4482340000e+00 -8.0150800000e-01  1.1606140000e+00 -1.3052080000e+00  6.9286100000e-01
+ENERGY -1.526601838166e+02
+FORCES  2.9496000000e-03 -7.2262000000e-03 -4.7784000000e-03 -4.7736000000e-03  7.3776000000e-03  2.6743000000e-03  6.6470000000e-04 -9.4030000000e-04  2.6293000000e-03  5.8708000000e-03  8.0060000000e-04  3.8980000000e-04 -2.4401000000e-03  2.4350000000e-04  3.2941000000e-03 -2.2714000000e-03 -2.5510000000e-04 -4.2091000000e-03
+
+JOB 21
+COORDS -3.2536000000e-01 -8.3812200000e-01 -1.2654690000e+00 -5.1449100000e-01 -1.5755000000e+00 -6.8518000000e-01 -3.7385400000e-01 -6.8207000000e-02 -6.9880200000e-01  3.2908100000e-01  7.7955500000e-01  1.2348450000e+00  1.1325580000e+00  9.7892200000e-01  7.5431500000e-01 -2.6430000000e-01  1.4990250000e+00  1.0192200000e+00
+ENERGY -1.526574732293e+02
+FORCES -1.2400000000e-05  8.9590000000e-04  1.0530200000e-02  2.9320000000e-04  1.3197000000e-03 -3.4727000000e-03 -7.3310000000e-04  5.2900000000e-04 -6.8908000000e-03  3.7222000000e-03  4.2215000000e-03  1.7610000000e-04 -5.6199000000e-03 -1.1023000000e-03  1.4283000000e-03  2.3499000000e-03 -5.8637000000e-03 -1.7712000000e-03
+
+JOB 22
+COORDS -1.9857600000e-01 -1.5147050000e+00  3.6305000000e-02  3.8138600000e-01 -2.1493240000e+00 -3.8456800000e-01  2.5292000000e-01 -6.7619900000e-01 -6.0080000000e-02  1.4089600000e-01  1.4486910000e+00 -4.7236000000e-02 -5.1956700000e-01  2.1413190000e+00 -6.4173000000e-02  6.8755400000e-01  1.6568330000e+00  7.1044100000e-01
+ENERGY -1.526594632080e+02
+FORCES  2.3030000000e-03  5.8075000000e-03 -2.5739000000e-03 -1.5912000000e-03  3.0970000000e-03  1.4252000000e-03  1.7117000000e-03 -9.2584000000e-03  2.0510000000e-03 -4.0459000000e-03  4.2574000000e-03  2.2419000000e-03  3.9629000000e-03 -1.5883000000e-03  7.1250000000e-04 -2.3406000000e-03 -2.3151000000e-03 -3.8566000000e-03
+
+JOB 23
+COORDS  1.1876220000e+00 -6.2826500000e-01  6.5096300000e-01  1.3016550000e+00 -1.4457300000e-01  1.4690520000e+00  6.8916900000e-01 -1.4066190000e+00  8.9984500000e-01 -1.1788800000e+00  7.1730100000e-01 -7.2912300000e-01 -3.3535500000e-01  2.8479200000e-01 -5.9633300000e-01 -1.8239480000e+00  1.4500000000e-02 -6.5044200000e-01
+ENERGY -1.526595748583e+02
+FORCES -4.1480000000e-04 -4.7420000000e-04  6.9327000000e-03 -3.0370000000e-04 -3.1680000000e-03 -3.6532000000e-03  1.0558000000e-03  4.4019000000e-03 -2.2601000000e-03  5.5807000000e-03 -5.6347000000e-03  2.6045000000e-03 -8.3132000000e-03  2.9504000000e-03 -3.9614000000e-03  2.3953000000e-03  1.9247000000e-03  3.3760000000e-04
+
+JOB 24
+COORDS -3.0452800000e-01  1.3955250000e+00 -5.3484600000e-01 -1.0998630000e+00  1.9217940000e+00 -4.5289300000e-01 -3.8555000000e-01  7.3016700000e-01  1.4850300000e-01  3.6169900000e-01 -1.3167880000e+00  4.8503700000e-01 -4.1469900000e-01 -1.8762420000e+00  5.0621600000e-01  1.0982640000e+00 -1.9280410000e+00  4.9375500000e-01
+ENERGY -1.526578841606e+02
+FORCES -1.4750000000e-04 -4.3162000000e-03  3.8487000000e-03  2.6093000000e-03 -3.0791000000e-03  2.5400000000e-05 -4.1112000000e-03  7.1291000000e-03 -2.5783000000e-03  2.4806000000e-03 -4.5878000000e-03 -1.7648000000e-03  3.0618000000e-03  3.5180000000e-03  3.6590000000e-04 -3.8930000000e-03  1.3359000000e-03  1.0310000000e-04
+
+JOB 25
+COORDS -1.1198530000e+00  7.6269000000e-01  8.1051300000e-01 -1.5667650000e+00  4.2400800000e-01  3.4758000000e-02 -2.4182600000e-01  3.8410500000e-01  7.6608500000e-01  1.0372400000e+00 -7.3819400000e-01 -7.8312900000e-01  1.4968120000e+00 -9.9921500000e-01  1.4927000000e-02  1.6415040000e+00 -1.4053400000e-01 -1.2234700000e+00
+ENERGY -1.526576127030e+02
+FORCES  4.4336000000e-03 -5.7164000000e-03 -7.9959000000e-03 -1.0174000000e-03  2.3853000000e-03  3.2727000000e-03 -1.5206000000e-03  2.2659000000e-03  5.8185000000e-03  5.4776000000e-03  3.4770000000e-04 -1.1567000000e-03 -4.3887000000e-03  3.6547000000e-03 -2.5502000000e-03 -2.9844000000e-03 -2.9371000000e-03  2.6116000000e-03
+
+JOB 26
+COORDS  7.6502500000e-01 -8.5919300000e-01  1.0374200000e+00  6.6257100000e-01 -4.9861500000e-01  1.9181690000e+00  4.3896700000e-01 -1.7135900000e-01  4.5707400000e-01 -7.6002800000e-01  7.4336500000e-01 -1.0201500000e+00 -6.5025100000e-01  1.6413670000e+00 -7.0746200000e-01 -5.3526300000e-01  7.8375700000e-01 -1.9497100000e+00
+ENERGY -1.526591952929e+02
+FORCES -5.0053000000e-03  4.6940000000e-03 -3.5063000000e-03  7.7300000000e-05 -3.1920000000e-04 -3.4625000000e-03  5.9459000000e-03 -2.3235000000e-03  8.0432000000e-03 -7.0280000000e-04  3.0409000000e-03 -5.7242000000e-03  1.1295000000e-03 -5.8021000000e-03  7.4400000000e-05 -1.4446000000e-03  7.0990000000e-04  4.5754000000e-03
+
+JOB 27
+COORDS -1.0303700000e-01 -7.4235100000e-01  1.2632210000e+00  2.6519500000e-01 -1.5088120000e+00  1.7027370000e+00 -8.5654600000e-01 -4.9682200000e-01  1.8000360000e+00  1.8151300000e-01  7.7381600000e-01 -1.3519920000e+00 -1.5525000000e-02  9.5610200000e-01 -4.3320000000e-01 -6.7344200000e-01  6.2464700000e-01 -1.7557650000e+00
+ENERGY -1.526554436995e+02
+FORCES  6.0470000000e-04 -4.4523000000e-03  3.1081000000e-03 -2.4042000000e-03  3.2252000000e-03 -1.3665000000e-03  3.3769000000e-03  2.2990000000e-04 -3.8411000000e-03 -3.6349000000e-03 -3.8847000000e-03  6.1472000000e-03 -7.5900000000e-04  3.9449000000e-03 -5.1708000000e-03  2.8165000000e-03  9.3700000000e-04  1.1230000000e-03
+
+JOB 28
+COORDS  4.3670000000e-01  8.4554300000e-01  1.2282120000e+00 -6.9535000000e-02  1.3596380000e+00  1.8572300000e+00  1.7289400000e-01 -6.0094000000e-02  1.3908790000e+00 -3.2824400000e-01 -8.5127100000e-01 -1.2796190000e+00 -6.2473000000e-01 -1.7975600000e-01 -6.6529400000e-01 -1.1000440000e+00 -1.0486590000e+00 -1.8102740000e+00
+ENERGY -1.526570470993e+02
+FORCES  3.5500000000e-04 -1.6071000000e-03  5.9332000000e-03  1.8286000000e-03 -2.6456000000e-03 -3.4529000000e-03 -1.2534000000e-03  5.9134000000e-03 -2.7348000000e-03 -2.6170000000e-03  4.4590000000e-03 -2.0700000000e-05 -1.2292000000e-03 -7.4064000000e-03 -2.2835000000e-03  2.9159000000e-03  1.2867000000e-03  2.5588000000e-03
+
+JOB 29
+COORDS -7.3685500000e-01 -8.9812100000e-01 -9.7690300000e-01 -1.4741810000e+00 -1.5039660000e+00 -1.0512930000e+00 -8.0093000000e-01 -3.4534500000e-01 -1.7557250000e+00  8.2456500000e-01  8.9498200000e-01  1.0595400000e+00  4.1803400000e-01  1.6983000000e+00  7.3451200000e-01  3.4886200000e-01  1.9034200000e-01  6.1974400000e-01
+ENERGY -1.526602111315e+02
+FORCES -3.7199000000e-03 -1.6311000000e-03 -4.4284000000e-03  3.1780000000e-03  3.0273000000e-03 -6.5440000000e-04 -2.9660000000e-04 -2.2525000000e-03  4.0075000000e-03 -5.5216000000e-03 -2.7091000000e-03 -4.9467000000e-03  1.6400000000e-03 -2.1449000000e-03  7.7110000000e-04  4.7202000000e-03  5.7103000000e-03  5.2508000000e-03
+
+JOB 30
+COORDS  1.0464320000e+00 -8.4659000000e-01 -9.3434100000e-01  3.6560600000e-01 -1.9259900000e-01 -7.7621500000e-01  1.8506480000e+00 -4.3806500000e-01 -6.1406700000e-01 -1.0629550000e+00  7.5022400000e-01  8.6053000000e-01 -1.0423980000e+00  5.3523600000e-01  1.7930480000e+00 -8.8441200000e-01  1.6900240000e+00  8.2692100000e-01
+ENERGY -1.526583099816e+02
+FORCES -2.8021000000e-03  5.2355000000e-03  4.5967000000e-03  5.8779000000e-03 -2.6470000000e-03 -5.2803000000e-03 -2.4400000000e-03 -1.3893000000e-03 -1.1533000000e-03 -6.9150000000e-04  1.5282000000e-03  6.4164000000e-03 -4.3190000000e-04  2.1824000000e-03 -3.8775000000e-03  4.8760000000e-04 -4.9097000000e-03 -7.0210000000e-04
+
+JOB 31
+COORDS  1.3771980000e+00  5.0632000000e-01 -5.9359500000e-01  2.3171660000e+00  6.7830500000e-01 -6.4940100000e-01  1.2494230000e+00  1.5490000000e-01  2.8754600000e-01 -1.3814690000e+00 -5.3217600000e-01  5.9327700000e-01 -1.3364820000e+00 -6.5120700000e-01 -3.5542700000e-01 -2.0395960000e+00  1.5151900000e-01  7.1842400000e-01
+ENERGY -1.526586065116e+02
+FORCES  1.9831000000e-03 -1.0087000000e-03  4.5707000000e-03 -3.8844000000e-03 -7.1440000000e-04  7.7690000000e-04  3.9322000000e-03  2.0292000000e-03 -4.9265000000e-03 -2.8746000000e-03  3.0334000000e-03 -5.0043000000e-03 -1.4867000000e-03 -4.0070000000e-04  4.9318000000e-03  2.3304000000e-03 -2.9388000000e-03 -3.4850000000e-04
+
+JOB 32
+COORDS -3.1961900000e-01 -1.0158260000e+00 -1.1219700000e+00  2.7593200000e-01 -1.1388650000e+00 -1.8611670000e+00 -5.3126900000e-01 -1.9037830000e+00 -8.3392600000e-01  3.5898800000e-01  1.0933920000e+00  1.1563270000e+00 -3.5739200000e-01  1.3955710000e+00  1.7146460000e+00 -6.0336000000e-02  5.1327700000e-01  5.2082400000e-01
+ENERGY -1.526607052203e+02
+FORCES  2.8003000000e-03 -4.9693000000e-03 -3.5800000000e-03 -3.1696000000e-03 -5.7010000000e-04  2.9818000000e-03  8.7400000000e-04  4.0497000000e-03 -1.4501000000e-03 -4.2617000000e-03 -3.1156000000e-03 -3.5490000000e-03  2.2345000000e-03 -1.5418000000e-03 -2.0164000000e-03  1.5225000000e-03  6.1472000000e-03  7.6138000000e-03
+
+JOB 33
+COORDS  9.0167900000e-01  7.9865900000e-01  9.9337700000e-01  1.6202750000e+00  1.1010190000e+00  4.3801200000e-01  6.8697200000e-01  1.5541550000e+00  1.5405130000e+00 -9.9052500000e-01 -8.4476700000e-01 -9.9351900000e-01 -2.7267400000e-01 -3.8076800000e-01 -5.6267600000e-01 -5.6723200000e-01 -1.5739530000e+00 -1.4466670000e+00
+ENERGY -1.526592968172e+02
+FORCES  1.5190000000e-03  6.2665000000e-03  3.3034000000e-03 -4.3339000000e-03 -2.3803000000e-03  1.4805000000e-03  2.3007000000e-03 -3.0331000000e-03 -2.3120000000e-03  5.1442000000e-03  6.8430000000e-04  3.4701000000e-03 -3.6639000000e-03 -4.4710000000e-03 -7.5378000000e-03 -9.6600000000e-04  2.9336000000e-03  1.5958000000e-03
+
+JOB 34
+COORDS  4.8958200000e-01  1.2684600000e+00 -7.5968500000e-01  1.9428400000e-01  1.0903310000e+00 -1.6526020000e+00  1.0025030000e+00  2.0733360000e+00 -8.3261600000e-01 -4.9236200000e-01 -1.3581130000e+00  8.4666400000e-01  6.9995000000e-02 -9.8320600000e-01  1.6885000000e-01 -1.2150860000e+00 -7.3605800000e-01  9.3002000000e-01
+ENERGY -1.526582678949e+02
+FORCES  2.1968000000e-03  5.0541000000e-03 -3.4750000000e-03  1.2882000000e-03 -3.1850000000e-04  4.7972000000e-03 -2.7084000000e-03 -3.2916000000e-03 -4.3900000000e-04  1.1353000000e-03  7.8696000000e-03 -2.5716000000e-03 -3.0027000000e-03 -5.7353000000e-03  1.4942000000e-03  1.0907000000e-03 -3.5783000000e-03  1.9430000000e-04
+
+JOB 35
+COORDS  1.1932530000e+00 -1.1865390000e+00  1.6476100000e-01  7.2911400000e-01 -1.3285770000e+00  9.8976500000e-01  5.6685900000e-01 -7.1581700000e-01 -3.8504200000e-01 -1.1293890000e+00  1.1047110000e+00 -2.2036100000e-01 -7.1854000000e-01  1.2759810000e+00  6.2704800000e-01 -1.5501930000e+00  1.9319250000e+00 -4.5461200000e-01
+ENERGY -1.526582680520e+02
+FORCES -6.0987000000e-03  1.3761000000e-03 -8.9100000000e-04  2.2011000000e-03  1.4652000000e-03 -2.3267000000e-03  5.3048000000e-03 -3.7512000000e-03  3.5744000000e-03 -1.1940000000e-03  6.1873000000e-03  1.8098000000e-03 -2.0224000000e-03 -2.0044000000e-03 -3.9408000000e-03  1.8092000000e-03 -3.2731000000e-03  1.7743000000e-03
+
+JOB 36
+COORDS -5.9790000000e-03  1.4305100000e+00 -6.5843700000e-01  2.3496700000e-01  1.7074710000e+00 -1.5424450000e+00 -6.2886100000e-01  2.0935070000e+00 -3.6063500000e-01 -3.5082000000e-02 -1.4903450000e+00  7.0659900000e-01  5.2170400000e-01 -7.1437800000e-01  6.4259700000e-01  5.5351500000e-01 -2.2235300000e+00  5.2708400000e-01
+ENERGY -1.526571946729e+02
+FORCES -3.2423000000e-03  3.6973000000e-03 -3.1619000000e-03 -9.6400000000e-04 -8.5000000000e-04  3.7704000000e-03  3.0063000000e-03 -2.3183000000e-03 -1.6196000000e-03  3.9879000000e-03  3.2551000000e-03 -2.4226000000e-03 -6.7980000000e-04 -6.6361000000e-03  3.1493000000e-03 -2.1081000000e-03  2.8520000000e-03  2.8430000000e-04
+
+JOB 37
+COORDS  1.0347640000e+00 -1.3148340000e+00 -1.7902600000e-01  1.0318090000e+00 -1.7466280000e+00  6.7524400000e-01  8.0638700000e-01 -4.0494700000e-01  1.1187000000e-02 -9.8098200000e-01  1.2352640000e+00  1.2606900000e-01 -1.6426390000e+00  1.3820440000e+00 -5.4987200000e-01 -1.0109410000e+00  2.0246330000e+00  6.6665300000e-01
+ENERGY -1.526591766427e+02
+FORCES -3.5815000000e-03  4.2598000000e-03  4.0642000000e-03  3.6820000000e-04  1.2706000000e-03 -2.8635000000e-03  5.3470000000e-03 -6.2689000000e-03 -6.1670000000e-04 -4.8232000000e-03  3.9516000000e-03 -1.7764000000e-03  2.5289000000e-03  4.3220000000e-04  3.5355000000e-03  1.6070000000e-04 -3.6453000000e-03 -2.3430000000e-03
+
+JOB 38
+COORDS  2.3266000000e-02 -1.8454100000e-01  1.6310640000e+00  3.6636500000e-01  6.8840200000e-01  1.8220760000e+00  8.0124900000e-01 -7.3723700000e-01  1.5568840000e+00 -1.3619800000e-01  1.2818400000e-01 -1.6235650000e+00  7.5516000000e-01 -8.5406000000e-02 -1.3477180000e+00 -4.5711000000e-02  9.4281600000e-01 -2.1179520000e+00
+ENERGY -1.526511982018e+02
+FORCES  3.0932000000e-03  1.7346000000e-03 -3.9660000000e-04 -9.4710000000e-04 -3.6754000000e-03 -7.8470000000e-04 -2.8306000000e-03  2.5749000000e-03 -8.3180000000e-04  3.6069000000e-03  1.9224000000e-03  1.2752000000e-03 -2.4479000000e-03  5.9360000000e-04 -1.8351000000e-03 -4.7450000000e-04 -3.1502000000e-03  2.5730000000e-03
+
+JOB 39
+COORDS -3.4604400000e-01  1.2221240000e+00 -9.9652300000e-01 -1.6498500000e-01  1.9289230000e+00 -1.6161080000e+00 -5.8513300000e-01  1.6697970000e+00 -1.8494600000e-01  3.7177600000e-01 -1.2480450000e+00  1.0353770000e+00  8.4150200000e-01 -1.5288480000e+00  2.5005000000e-01 -5.0506200000e-01 -1.6188740000e+00  9.3602100000e-01
+ENERGY -1.526553267659e+02
+FORCES  9.4000000000e-06  4.5238000000e-03  2.9153000000e-03 -3.6810000000e-04 -3.2989000000e-03  2.6182000000e-03 -1.0720000000e-04 -5.5060000000e-04 -4.4984000000e-03 -1.7010000000e-03 -1.0223000000e-03 -6.4637000000e-03 -1.0491000000e-03 -8.1740000000e-04  4.1184000000e-03  3.2160000000e-03  1.1654000000e-03  1.3102000000e-03
+
+JOB 40
+COORDS -9.3965300000e-01 -2.9011100000e-01  1.3414630000e+00 -1.0877250000e+00 -6.8301400000e-01  4.8126900000e-01 -1.7977550000e+00 -3.0964700000e-01  1.7651500000e+00  9.3039300000e-01  3.0223700000e-01 -1.3237530000e+00  1.4764060000e+00  1.8828200000e-01 -5.4586100000e-01  1.5360240000e+00  6.0678700000e-01 -1.9995440000e+00
+ENERGY -1.526572520323e+02
+FORCES -4.3433000000e-03 -9.4710000000e-04 -3.1398000000e-03 -9.7100000000e-05  3.5660000000e-04  5.7869000000e-03  3.1710000000e-03  2.6400000000e-05 -1.8250000000e-03  5.1222000000e-03  1.8227000000e-03  1.0985000000e-03 -1.6149000000e-03 -2.2090000000e-04 -4.8736000000e-03 -2.2380000000e-03 -1.0376000000e-03  2.9530000000e-03
+
+JOB 41
+COORDS -5.4077800000e-01  1.2050750000e+00 -1.0959140000e+00 -6.9797000000e-01  1.9193950000e+00 -4.7844400000e-01 -1.4003820000e+00  1.0221970000e+00 -1.4752130000e+00  6.1589800000e-01 -1.2828290000e+00  1.1145690000e+00  7.0943000000e-02 -1.3369000000e+00  3.2950000000e-01  7.0434600000e-01 -3.4439400000e-01  1.2811450000e+00
+ENERGY -1.526567637616e+02
+FORCES -4.7531000000e-03  4.0867000000e-03 -6.3620000000e-04  1.0832000000e-03 -3.8263000000e-03 -2.0894000000e-03  3.9884000000e-03  2.6120000000e-04  2.0359000000e-03 -1.8870000000e-03  5.4881000000e-03 -5.0793000000e-03  1.4334000000e-03 -2.5969000000e-03  4.0070000000e-03  1.3510000000e-04 -3.4128000000e-03  1.7620000000e-03
+
+JOB 42
+COORDS  1.2234560000e+00  7.7441400000e-01 -9.2142600000e-01  1.9599350000e+00  8.5834500000e-01 -3.1579600000e-01  1.5587160000e+00  1.1060900000e+00 -1.7543860000e+00 -1.2860090000e+00 -8.5276900000e-01  9.7675700000e-01 -1.0535970000e+00 -8.1995900000e-01  4.8780000000e-02 -1.4102240000e+00  6.3141000000e-02  1.2255760000e+00
+ENERGY -1.526574310493e+02
+FORCES  5.7773000000e-03  1.7574000000e-03 -6.3700000000e-04 -2.9387000000e-03  2.8480000000e-04 -3.0583000000e-03 -1.4295000000e-03 -1.4607000000e-03  3.6259000000e-03  2.2231000000e-03  4.9808000000e-03 -4.3747000000e-03 -3.3131000000e-03 -1.9576000000e-03  4.1880000000e-03 -3.1910000000e-04 -3.6047000000e-03  2.5610000000e-04
+
+JOB 43
+COORDS -4.7275200000e-01 -1.2193420000e+00  1.3010170000e+00  4.5216400000e-01 -1.1896400000e+00  1.5457230000e+00 -4.9357200000e-01 -8.9310300000e-01  4.0136900000e-01  3.6565600000e-01  1.2224520000e+00 -1.2798830000e+00  6.9275100000e-01  3.2996500000e-01 -1.3926070000e+00  1.1236500000e+00  1.7186110000e+00 -9.7084600000e-01
+ENERGY -1.526539013904e+02
+FORCES  2.7121000000e-03  3.4301000000e-03 -2.5378000000e-03 -3.3942000000e-03 -3.8320000000e-04 -1.3866000000e-03  1.4837000000e-03 -3.9828000000e-03  2.9538000000e-03  5.5129000000e-03  6.7570000000e-04 -3.4290000000e-04 -3.0420000000e-03  2.7726000000e-03  2.8530000000e-03 -3.2725000000e-03 -2.5125000000e-03 -1.5396000000e-03
+
+JOB 44
+COORDS -1.2516130000e+00 -2.0131300000e-01 -1.2627390000e+00 -6.2863900000e-01 -9.2407000000e-01 -1.1868620000e+00 -1.4435740000e+00 -1.4722300000e-01 -2.1989320000e+00  1.2631270000e+00  1.9673100000e-01  1.2826450000e+00  9.5170300000e-01  1.0282060000e+00  9.2501900000e-01  9.1460900000e-01  1.7322900000e-01  2.1738320000e+00
+ENERGY -1.526567238768e+02
+FORCES  2.2371000000e-03 -3.7579000000e-03 -2.9221000000e-03 -3.8014000000e-03  2.8640000000e-03 -1.8404000000e-03  9.5110000000e-04 -9.3000000000e-05  3.8313000000e-03 -3.7382000000e-03  4.0818000000e-03  1.9130000000e-03  2.6977000000e-03 -3.1315000000e-03  2.3835000000e-03  1.6537000000e-03  3.6600000000e-05 -3.3652000000e-03
+
+JOB 45
+COORDS  1.3421580000e+00  5.5606900000e-01 -1.1354100000e+00  1.2726120000e+00  2.7630200000e-01 -2.0481670000e+00  5.8086100000e-01  1.1199220000e+00 -9.9855600000e-01 -1.3391290000e+00 -5.2197600000e-01  1.1688970000e+00 -1.5477750000e+00 -1.4343950000e+00  1.3693710000e+00 -3.8541100000e-01 -5.0587200000e-01  1.0889250000e+00
+ENERGY -1.526572732690e+02
+FORCES -3.5464000000e-03  1.8363000000e-03 -4.7744000000e-03  5.3670000000e-04  1.2952000000e-03  3.6470000000e-03  4.0854000000e-03 -2.8602000000e-03  1.6000000000e-05  3.8785000000e-03 -4.2956000000e-03  4.7940000000e-04  7.0460000000e-04  3.5046000000e-03 -7.1250000000e-04 -5.6588000000e-03  5.1980000000e-04  1.3446000000e-03
+
+JOB 46
+COORDS -1.4608210000e+00  6.6752500000e-01 -9.2201100000e-01 -1.3854540000e+00  1.5872340000e+00 -1.1763490000e+00 -1.4073300000e+00  6.7764900000e-01  3.3640000000e-02  1.5097850000e+00 -7.4322000000e-01  8.9471000000e-01  1.2982620000e+00  1.1676400000e-01  5.3150500000e-01  6.6031700000e-01 -1.1659270000e+00  1.0210220000e+00
+ENERGY -1.526540793028e+02
+FORCES -1.5056000000e-03  4.6002000000e-03  1.7691000000e-03  1.1260000000e-04 -4.2202000000e-03  1.4027000000e-03  1.6372000000e-03 -9.6230000000e-04 -4.0423000000e-03 -4.3761000000e-03  9.7730000000e-04 -3.1475000000e-03  9.4940000000e-04 -2.7613000000e-03  3.2680000000e-03  3.1825000000e-03  2.3663000000e-03  7.5010000000e-04
+
+JOB 47
+COORDS -7.2422600000e-01  1.7204310000e+00  2.1897300000e-01  1.6423500000e-01  1.7856610000e+00 -1.3119200000e-01 -6.1015300000e-01  1.7451390000e+00  1.1690300000e+00  7.1854300000e-01 -1.7315100000e+00 -2.2016100000e-01  2.9920600000e-01 -9.1483300000e-01 -4.9113800000e-01  1.7305200000e-01 -2.4194240000e+00 -6.0153500000e-01
+ENERGY -1.526566327673e+02
+FORCES  3.6930000000e-03  2.7799000000e-03  4.1719000000e-03 -4.3409000000e-03 -2.1610000000e-03  8.7360000000e-04 -5.8820000000e-04  1.7900000000e-04 -4.4144000000e-03 -5.3025000000e-03  7.5000000000e-04 -2.4989000000e-03  4.2191000000e-03 -4.0418000000e-03  3.8480000000e-04  2.3195000000e-03  2.4939000000e-03  1.4831000000e-03
+
+JOB 48
+COORDS  1.5335280000e+00 -1.0318900000e-01  1.1293070000e+00  1.1130810000e+00 -2.6461700000e-01  2.8467900000e-01  1.9905210000e+00  7.3001000000e-01  1.0145500000e+00 -1.4824090000e+00  6.5346000000e-02 -1.0338150000e+00 -1.4972760000e+00  6.5751000000e-02 -1.9909000000e+00 -2.4034220000e+00  7.9090000000e-03 -7.7951700000e-01
+ENERGY -1.526567835894e+02
+FORCES -2.0618000000e-03  2.8471000000e-03 -4.6316000000e-03  4.9737000000e-03  9.6200000000e-05  3.9334000000e-03 -1.2881000000e-03 -3.1256000000e-03  5.5690000000e-04 -5.8012000000e-03 -2.0000000000e-04 -2.1756000000e-03  5.6670000000e-04  1.4700000000e-05  4.1881000000e-03  3.6107000000e-03  3.6750000000e-04 -1.8713000000e-03
+
+JOB 49
+COORDS  7.2029000000e-02 -8.2516000000e-01 -1.7361310000e+00 -3.2950200000e-01 -3.5528100000e-01 -1.0052290000e+00  1.9564500000e-01 -1.7163960000e+00 -1.4095570000e+00 -6.1219000000e-02  7.8070800000e-01  1.6954700000e+00 -6.1614800000e-01  1.2032180000e+00  1.0399010000e+00  4.9914300000e-01  1.4835330000e+00  2.0245050000e+00
+ENERGY -1.526549466252e+02
+FORCES -1.4020000000e-04 -2.3638000000e-03  5.9692000000e-03 -1.3410000000e-04 -2.3860000000e-04 -4.2090000000e-03 -6.0960000000e-04  3.1986000000e-03 -2.1739000000e-03  1.0887000000e-03  6.1748000000e-03  3.4230000000e-04  2.5779000000e-03 -3.8165000000e-03  1.1422000000e-03 -2.7827000000e-03 -2.9546000000e-03 -1.0707000000e-03
+
+JOB 50
+COORDS -1.5828880000e+00  1.1182990000e+00  1.7398000000e-02 -6.8753300000e-01  1.4564810000e+00  3.1724000000e-02 -1.8791810000e+00  1.2615600000e+00 -8.8144500000e-01  1.5483900000e+00 -1.0925290000e+00  7.5542000000e-02  1.0902740000e+00 -1.2327930000e+00 -7.5312400000e-01  2.0303310000e+00 -1.9061110000e+00  2.2403100000e-01
+ENERGY -1.526548140804e+02
+FORCES  3.1216000000e-03  2.2866000000e-03 -2.3288000000e-03 -4.7449000000e-03 -7.0100000000e-04 -1.0148000000e-03  1.4315000000e-03 -1.1394000000e-03  3.4247000000e-03 -5.5580000000e-04 -4.8147000000e-03 -2.1614000000e-03  2.6926000000e-03  1.1026000000e-03  2.8594000000e-03 -1.9450000000e-03  3.2659000000e-03 -7.7920000000e-04
+
+JOB 51
+COORDS  1.4371050000e+00  1.2460000000e+00  6.9759000000e-02  2.3636590000e+00  1.1373480000e+00  2.8406200000e-01  1.4238910000e+00  1.3777420000e+00 -8.7823900000e-01 -1.5276840000e+00 -1.2973590000e+00  1.3560000000e-03 -1.7902380000e+00 -3.8384700000e-01 -1.1174900000e-01 -6.2086700000e-01 -1.3259720000e+00 -3.0375900000e-01
+ENERGY -1.526556674841e+02
+FORCES  5.1962000000e-03  1.4627000000e-03 -2.0804000000e-03 -3.9997000000e-03  4.3000000000e-04 -1.2374000000e-03 -7.3390000000e-04 -1.4441000000e-03  4.1083000000e-03  3.9697000000e-03  4.8887000000e-03 -3.9050000000e-04 -1.1390000000e-04 -3.9561000000e-03 -3.5900000000e-04 -4.3184000000e-03 -1.3812000000e-03 -4.0900000000e-05
+
+JOB 52
+COORDS -1.8949510000e+00 -1.7806400000e-01 -3.3810200000e-01 -2.7181130000e+00  8.1538000000e-02 -7.5191800000e-01 -1.2199430000e+00  7.1186000000e-02 -9.6934700000e-01  1.9264810000e+00  1.9796500000e-01  4.4182200000e-01  1.9390820000e+00  1.1533300000e-01 -5.1172100000e-01  1.5265610000e+00 -6.1601400000e-01  7.4798200000e-01
+ENERGY -1.526542384301e+02
+FORCES -1.0363000000e-03  3.1363000000e-03 -3.9275000000e-03  3.4949000000e-03 -1.0747000000e-03  1.6380000000e-03 -2.5208000000e-03 -2.1364000000e-03  1.9946000000e-03 -1.4674000000e-03 -4.1493000000e-03 -1.3707000000e-03 -9.8860000000e-04  7.1550000000e-04  3.5078000000e-03  2.5182000000e-03  3.5086000000e-03 -1.8422000000e-03
+
+JOB 53
+COORDS  1.2859810000e+00  1.4816890000e+00 -2.2250000000e-02  1.8966650000e+00  1.9487520000e+00 -5.9246900000e-01  6.8745500000e-01  2.1584590000e+00  2.9394500000e-01 -1.2245570000e+00 -1.5547480000e+00  7.3942000000e-02 -1.6555430000e+00 -2.1907040000e+00 -4.9706000000e-01 -1.7912550000e+00 -7.8385900000e-01  4.5402000000e-02
+ENERGY -1.526526385198e+02
+FORCES  4.6870000000e-04  4.3696000000e-03 -9.5360000000e-04 -2.5557000000e-03 -1.9871000000e-03  2.3731000000e-03  1.9848000000e-03 -2.9681000000e-03 -1.4401000000e-03 -3.2828000000e-03  1.3356000000e-03 -2.7676000000e-03  1.8428000000e-03  2.4944000000e-03  2.3467000000e-03  1.5422000000e-03 -3.2445000000e-03  4.4160000000e-04
+
+JOB 54
+COORDS  1.3389150000e+00 -6.3421100000e-01 -1.5283130000e+00  5.6743700000e-01 -1.5873700000e-01 -1.8364960000e+00  1.3110980000e+00 -5.4502000000e-01 -5.7568300000e-01 -1.2322500000e+00  5.9189600000e-01  1.4535120000e+00 -1.9642380000e+00  1.1819600000e+00  1.2739310000e+00 -1.4775620000e+00  1.4480500000e-01  2.2635520000e+00
+ENERGY -1.526564626795e+02
+FORCES -4.2300000000e-03  2.7289000000e-03  3.8606000000e-03  3.2321000000e-03 -1.8334000000e-03 -2.6800000000e-05  1.6506000000e-03 -1.1274000000e-03 -4.4565000000e-03 -4.7045000000e-03  7.9040000000e-04  3.3673000000e-03  3.0443000000e-03 -2.5541000000e-03  6.5330000000e-04  1.0075000000e-03  1.9956000000e-03 -3.3981000000e-03
+
+JOB 55
+COORDS  1.2193400000e+00 -1.2657470000e+00 -1.0058160000e+00  1.0706060000e+00 -2.1773900000e+00 -7.5478400000e-01  1.0274830000e+00 -1.2406020000e+00 -1.9432550000e+00 -1.2091830000e+00  1.2496800000e+00  1.0155630000e+00 -1.7368230000e+00  2.0193950000e+00  8.0256900000e-01 -5.7619300000e-01  1.5638160000e+00  1.6612200000e+00
+ENERGY -1.526532529293e+02
+FORCES -2.6810000000e-03 -3.1696000000e-03 -2.5225000000e-03  1.0309000000e-03  3.5083000000e-03 -1.0535000000e-03  1.1910000000e-03 -2.5190000000e-04  3.5327000000e-03  1.5485000000e-03  4.1416000000e-03  1.5443000000e-03  2.0150000000e-03 -3.2410000000e-03  6.7710000000e-04 -3.1044000000e-03 -9.8720000000e-04 -2.1781000000e-03
+
+JOB 56
+COORDS -1.0811280000e+00 -1.6709550000e+00 -4.0718100000e-01 -1.8390260000e+00 -1.7314550000e+00 -9.8869700000e-01 -1.0536830000e+00 -2.5167900000e+00  4.0079000000e-02  1.0656310000e+00  1.7194310000e+00  4.4608300000e-01  1.8038500000e+00  2.2351650000e+00  7.7055700000e-01  1.3876010000e+00  1.3222670000e+00 -3.6313100000e-01
+ENERGY -1.526538059661e+02
+FORCES -3.4178000000e-03 -3.4965000000e-03  2.1110000000e-04  3.2922000000e-03  1.8050000000e-04  2.2098000000e-03 -7.9100000000e-05  3.3403000000e-03 -2.0567000000e-03  3.8093000000e-03 -5.9850000000e-04 -2.4401000000e-03 -3.0570000000e-03 -2.1244000000e-03 -1.1515000000e-03 -5.4760000000e-04  2.6985000000e-03  3.2275000000e-03
+
+JOB 57
+COORDS  1.3261250000e+00  1.5951380000e+00  2.6020600000e-01  1.9979040000e+00  1.6972070000e+00  9.3439100000e-01  5.0172400000e-01  1.7684400000e+00  7.1469600000e-01 -1.3302010000e+00 -1.6354370000e+00 -3.9189500000e-01 -1.8471480000e+00 -1.0082100000e+00  1.1365800000e-01 -5.8949000000e-01 -1.8486560000e+00  1.7565800000e-01
+ENERGY -1.526535177527e+02
+FORCES -3.9420000000e-04  1.9842000000e-03  4.0935000000e-03 -2.9599000000e-03 -7.6590000000e-04 -2.8122000000e-03  3.2118000000e-03 -1.2827000000e-03 -1.5415000000e-03  1.9200000000e-03  2.0186000000e-03  3.8544000000e-03  1.9275000000e-03 -2.2812000000e-03 -1.7612000000e-03 -3.7052000000e-03  3.2710000000e-04 -1.8331000000e-03
+
+JOB 58
+COORDS  6.6314600000e-01 -4.2483700000e-01 -1.9240970000e+00  1.2885890000e+00  2.7963000000e-01 -1.7544550000e+00  1.8876300000e-01 -1.4153200000e-01 -2.7057180000e+00 -7.1265900000e-01  3.0843600000e-01  1.9834000000e+00 -4.3808800000e-01  5.6122900000e-01  1.1019590000e+00 -3.0311800000e-01  9.5587800000e-01  2.5572700000e+00
+ENERGY -1.526546503937e+02
+FORCES  1.1682000000e-03  2.9511000000e-03 -4.2263000000e-03 -3.3955000000e-03 -2.6055000000e-03  2.5110000000e-04  2.1295000000e-03 -1.0213000000e-03  3.5484000000e-03  2.7213000000e-03  2.7364000000e-03 -2.0699000000e-03 -1.1028000000e-03  4.4950000000e-04  4.9455000000e-03 -1.5205000000e-03 -2.5103000000e-03 -2.4488000000e-03
+
+JOB 59
+COORDS -1.0245850000e+00 -1.0512800000e-01  1.8055610000e+00 -1.6807290000e+00 -7.4988500000e-01  2.0701270000e+00 -9.8752300000e-01  5.1296200000e-01  2.5355090000e+00  1.0797400000e+00  1.6116600000e-01 -1.8380730000e+00  4.9562700000e-01 -4.9748300000e-01 -1.4622720000e+00  1.3213850000e+00 -1.9272300000e-01 -2.6939950000e+00
+ENERGY -1.526547785014e+02
+FORCES -2.2696000000e-03  8.7340000000e-04  4.6937000000e-03  2.8029000000e-03  2.4671000000e-03 -1.4523000000e-03 -4.9250000000e-04 -2.8373000000e-03 -2.7259000000e-03 -1.9838000000e-03 -4.0789000000e-03 -7.3660000000e-04  2.9039000000e-03  2.1512000000e-03 -3.1768000000e-03 -9.6080000000e-04  1.4246000000e-03  3.3980000000e-03
+
+JOB 60
+COORDS -6.2183300000e-01 -6.4102600000e-01 -2.0289320000e+00 -6.9014500000e-01 -1.7718300000e-01 -1.1944170000e+00  2.0802000000e-02 -1.3318460000e+00 -1.8676220000e+00  5.3852000000e-01  6.2637800000e-01  1.9542280000e+00  9.5558900000e-01  1.4173980000e+00  1.6128020000e+00  1.0903160000e+00  3.6290000000e-01  2.6906600000e+00
+ENERGY -1.526560991412e+02
+FORCES  2.1719000000e-03 -1.0921000000e-03  5.2361000000e-03  6.4300000000e-05 -1.4265000000e-03 -4.8804000000e-03 -2.3721000000e-03  2.5160000000e-03 -1.2779000000e-03  4.2556000000e-03  2.4288000000e-03  3.0468000000e-03 -1.9451000000e-03 -3.6837000000e-03  1.0072000000e-03 -2.1747000000e-03  1.2576000000e-03 -3.1318000000e-03
+
+JOB 61
+COORDS  1.1619980000e+00 -8.1701400000e-01 -1.6570530000e+00  1.3400950000e+00 -1.6072260000e+00 -1.1470740000e+00  2.6576300000e-01 -9.3212600000e-01 -1.9728740000e+00 -1.1873040000e+00  8.4871200000e-01  1.6666770000e+00 -5.4111100000e-01  1.4110510000e+00  2.0938080000e+00 -7.5834400000e-01  5.5880800000e-01  8.6158000000e-01
+ENERGY -1.526556505406e+02
+FORCES -1.9429000000e-03 -4.9590000000e-03 -9.3740000000e-04 -1.0221000000e-03  3.8360000000e-03 -1.8844000000e-03  3.7057000000e-03  1.0640000000e-03  2.2821000000e-03  5.0559000000e-03  1.5672000000e-03 -1.8625000000e-03 -2.7822000000e-03 -2.2460000000e-03 -1.3686000000e-03 -3.0145000000e-03  7.3780000000e-04  3.7709000000e-03
+
+JOB 62
+COORDS -2.4043700000e-01 -7.2505600000e-01 -2.2222370000e+00 -6.6083700000e-01 -6.6445000000e-02 -1.6693120000e+00  6.5893800000e-01 -7.7199800000e-01 -1.8979660000e+00  1.7711500000e-01  7.4969800000e-01  2.1638300000e+00  1.0628620000e+00  6.6986300000e-01  2.5178200000e+00 -9.2408000000e-02 -1.5140700000e-01  1.9860680000e+00
+ENERGY -1.526549567324e+02
+FORCES  2.0058000000e-03  3.4195000000e-03  3.2808000000e-03  1.5262000000e-03 -3.4642000000e-03 -2.4356000000e-03 -3.6260000000e-03 -3.6620000000e-04 -1.1868000000e-03  2.4563000000e-03 -3.9654000000e-03  2.1461000000e-03 -3.6876000000e-03  2.5550000000e-04 -1.7713000000e-03  1.3253000000e-03  4.1207000000e-03 -3.3200000000e-05
+
+JOB 63
+COORDS -9.6496700000e-01  1.9242990000e+00 -8.1005800000e-01 -6.0144000000e-01  1.1794620000e+00 -1.2889090000e+00 -6.9265600000e-01  2.6903830000e+00 -1.3152240000e+00  8.7930600000e-01 -1.9694620000e+00  8.4328700000e-01  1.7929130000e+00 -2.1871430000e+00  1.0281320000e+00  7.9638400000e-01 -1.0493830000e+00  1.0939090000e+00
+ENERGY -1.526551324623e+02
+FORCES  1.9277000000e-03  1.5320000000e-04 -4.7151000000e-03 -1.1283000000e-03  3.5369000000e-03  2.5265000000e-03 -1.0301000000e-03 -3.1653000000e-03  2.1231000000e-03  3.1818000000e-03  2.8161000000e-03  2.6293000000e-03 -3.6959000000e-03  9.1280000000e-04 -8.8730000000e-04  7.4480000000e-04 -4.2537000000e-03 -1.6764000000e-03
+
+JOB 64
+COORDS  7.6522600000e-01  9.9282000000e-01  2.0517200000e+00  4.8235000000e-01  8.5970000000e-02  2.1693490000e+00  1.3896240000e+00  9.5736700000e-01  1.3270800000e+00 -8.4752700000e-01 -9.6263800000e-01 -2.0325310000e+00 -3.7326000000e-02 -1.3731990000e+00 -2.3345980000e+00 -5.5754000000e-01 -2.0886200000e-01 -1.5187600000e+00
+ENERGY -1.526539249461e+02
+FORCES  1.6812000000e-03 -3.9395000000e-03 -1.2791000000e-03  1.3277000000e-03  4.0568000000e-03 -9.0840000000e-04 -3.1275000000e-03  6.2100000000e-05  2.2913000000e-03  3.9495000000e-03  1.7546000000e-03  2.8930000000e-04 -3.2190000000e-03  1.7595000000e-03  1.6431000000e-03 -6.1180000000e-04 -3.6934000000e-03 -2.0362000000e-03
+
+JOB 65
+COORDS  7.1300300000e-01  1.0418400000e-01  2.3773680000e+00  7.1375400000e-01 -7.0781900000e-01  1.8705330000e+00  6.9769500000e-01  7.9834000000e-01  1.7184710000e+00 -7.5274100000e-01 -7.7030000000e-02 -2.3751110000e+00  8.5212000000e-02 -5.3969400000e-01 -2.3722630000e+00 -9.5210200000e-01  6.4100000000e-02 -1.4496010000e+00
+ENERGY -1.526531744126e+02
+FORCES  4.8790000000e-04 -3.2280000000e-04 -3.9065000000e-03 -3.1200000000e-04  3.7045000000e-03  1.5188000000e-03 -3.6180000000e-04 -3.4448000000e-03  2.2889000000e-03  2.1123000000e-03 -1.4749000000e-03  3.1189000000e-03 -3.5055000000e-03  2.0794000000e-03  5.2110000000e-04  1.5791000000e-03 -5.4140000000e-04 -3.5412000000e-03
+
+JOB 66
+COORDS  6.1879500000e-01  3.8062000000e-02 -2.4453420000e+00  6.0335300000e-01  7.5337500000e-01 -3.0812040000e+00 -2.0271500000e-01  1.2844300000e-01 -1.9624500000e+00 -5.5227000000e-01 -1.1800000000e-02  2.4331490000e+00 -3.9552000000e-02 -7.1337700000e-01  2.8345750000e+00 -1.4380200000e+00 -3.6882300000e-01  2.3682420000e+00
+ENERGY -1.526543557378e+02
+FORCES -3.3059000000e-03  3.6176000000e-03  1.0700000000e-04  4.8600000000e-05 -2.9442000000e-03  2.4129000000e-03  3.0398000000e-03 -6.6160000000e-04 -2.6890000000e-03 -9.9840000000e-04 -4.5310000000e-03  1.7781000000e-03 -2.3456000000e-03  2.9126000000e-03 -1.4825000000e-03  3.5615000000e-03  1.6066000000e-03 -1.2650000000e-04
+
+JOB 67
+COORDS  3.0413000000e-02 -1.1450040000e+00 -2.4991010000e+00  7.8829900000e-01 -1.7270800000e+00 -2.5541210000e+00  3.8222300000e-01 -3.2504400000e-01 -2.1525070000e+00 -1.0518500000e-01  1.0597320000e+00  2.4557410000e+00 -3.0829200000e-01  1.9149840000e+00  2.0768950000e+00  3.1488500000e-01  1.2612830000e+00  3.2918930000e+00
+ENERGY -1.526540980560e+02
+FORCES  4.4805000000e-03  8.7410000000e-04  1.9514000000e-03 -3.0186000000e-03  2.3203000000e-03 -4.8000000000e-05 -1.3896000000e-03 -3.0990000000e-03 -1.9581000000e-03  4.9870000000e-04  4.2721000000e-03  2.2190000000e-03  1.0902000000e-03 -3.5454000000e-03  1.3383000000e-03 -1.6611000000e-03 -8.2200000000e-04 -3.5026000000e-03
+
+JOB 68
+COORDS  4.0339800000e-01  2.7457880000e+00  1.8779800000e-01  1.2258690000e+00  2.3265900000e+00 -6.5275000000e-02  4.6640900000e-01  2.8438340000e+00  1.1378760000e+00 -4.2697300000e-01 -2.7653440000e+00 -2.7579500000e-01 -3.9212400000e-01 -3.0307570000e+00  6.4321200000e-01 -7.8841000000e-01 -1.8792240000e+00 -2.5613500000e-01
+ENERGY -1.526545436899e+02
+FORCES  4.0182000000e-03 -6.9470000000e-04  2.6833000000e-03 -3.6289000000e-03  1.5809000000e-03  1.1871000000e-03 -4.0590000000e-04 -6.6380000000e-04 -3.8950000000e-03 -1.7088000000e-03  2.6344000000e-03  3.6519000000e-03  6.6000000000e-06  1.0980000000e-03 -3.6759000000e-03  1.7189000000e-03 -3.9547000000e-03  4.8600000000e-05
+
+JOB 69
+COORDS -2.1447000000e-01  1.2149910000e+00 -2.5862430000e+00  4.7110100000e-01  8.3228700000e-01 -2.0387380000e+00 -5.0794100000e-01  4.9351700000e-01 -3.1426430000e+00  1.3858200000e-01 -1.1394020000e+00  2.5780510000e+00  7.4783700000e-01 -8.7587900000e-01  3.2676850000e+00  6.3709400000e-01 -1.7537990000e+00  2.0393180000e+00
+ENERGY -1.526538362229e+02
+FORCES  1.3006000000e-03 -4.4954000000e-03  3.9340000000e-04 -2.5039000000e-03  1.4772000000e-03 -2.5474000000e-03  1.3058000000e-03  2.9119000000e-03  2.1636000000e-03  4.3673000000e-03 -1.4361000000e-03  1.0697000000e-03 -2.4661000000e-03 -1.1317000000e-03 -2.9420000000e-03 -2.0038000000e-03  2.6741000000e-03  1.8626000000e-03
+
+JOB 70
+COORDS -1.3404360000e+00 -2.2146770000e+00 -1.4973780000e+00 -7.2607900000e-01 -2.8135100000e+00 -1.9218730000e+00 -1.4722060000e+00 -2.5849530000e+00 -6.2458700000e-01  1.3304300000e+00  2.2552740000e+00  1.5298570000e+00  1.7988970000e+00  2.7366630000e+00  8.4792200000e-01  4.4917600000e-01  2.1346760000e+00  1.1761910000e+00
+ENERGY -1.526545692273e+02
+FORCES  2.0553000000e-03 -4.1920000000e-03  1.8563000000e-03 -2.5472000000e-03  2.4587000000e-03  1.6795000000e-03  4.5890000000e-04  1.6069000000e-03 -3.6027000000e-03 -1.8257000000e-03  1.3606000000e-03 -4.4889000000e-03 -1.7840000000e-03 -1.8663000000e-03  2.8447000000e-03  3.6427000000e-03  6.3200000000e-04  1.7112000000e-03
+
+JOB 71
+COORDS  2.2019700000e+00  2.1262020000e+00  8.8290700000e-01  2.5704430000e+00  1.2494200000e+00  9.9112800000e-01  2.7809180000e+00  2.5536020000e+00  2.5173400000e-01 -2.2335380000e+00 -2.1276790000e+00 -9.1193600000e-01 -2.8275480000e+00 -1.3968100000e+00 -7.4101400000e-01 -1.9797770000e+00 -2.4389390000e+00 -4.3055000000e-02
+ENERGY -1.526542879072e+02
+FORCES  3.9039000000e-03 -1.8641000000e-03 -2.3706000000e-03 -1.5261000000e-03  3.5747000000e-03 -2.7510000000e-04 -2.3232000000e-03 -1.6926000000e-03  2.6438000000e-03 -1.4039000000e-03  1.9945000000e-03  4.2960000000e-03  2.3067000000e-03 -3.1318000000e-03 -7.4370000000e-04 -9.5740000000e-04  1.1193000000e-03 -3.5504000000e-03
+
+JOB 72
+COORDS -2.3227400000e-01 -1.5230500000e-01 -3.4817230000e+00 -8.8718800000e-01  1.1730600000e-01 -4.1256410000e+00 -2.2213300000e-01  5.5650200000e-01 -2.8385100000e+00  2.9087800000e-01  9.7297000000e-02  3.5404410000e+00 -5.3192100000e-01  4.3910200000e-01  3.1905790000e+00  7.1960400000e-01 -3.1203200000e-01  2.7888590000e+00
+ENERGY -1.526540446374e+02
+FORCES -2.6128000000e-03  4.0542000000e-03 -3.7120000000e-04  2.6780000000e-03 -1.0989000000e-03  2.7224000000e-03 -6.3800000000e-05 -3.0209000000e-03 -2.3468000000e-03 -1.5796000000e-03 -5.1880000000e-04 -4.4253000000e-03  3.3686000000e-03 -1.2679000000e-03  1.3542000000e-03 -1.7904000000e-03  1.8524000000e-03  3.0666000000e-03
+
+JOB 73
+COORDS -4.1079400000e-01  3.3564520000e+00 -1.3143200000e+00 -4.8338100000e-01  2.4730160000e+00 -9.5306800000e-01 -1.0259850000e+00  3.8778790000e+00 -7.9867900000e-01  4.9606000000e-01 -3.3448340000e+00  1.2164280000e+00  2.0201500000e-01 -3.9308750000e+00  1.9137980000e+00 -2.2279000000e-02 -2.5492200000e+00  1.3370710000e+00
+ENERGY -1.526537905070e+02
+FORCES -2.7215000000e-03 -1.4430000000e-03  3.4547000000e-03  2.0050000000e-04  3.5760000000e-03 -1.3337000000e-03  2.5079000000e-03 -2.1927000000e-03 -2.0694000000e-03 -3.2415000000e-03  6.4470000000e-04  3.4111000000e-03  1.1825000000e-03  2.4587000000e-03 -2.8734000000e-03  2.0721000000e-03 -3.0436000000e-03 -5.8930000000e-04
+
+JOB 74
+COORDS  1.9911500000e+00 -1.8727900000e-01 -3.2612660000e+00  1.6773530000e+00 -1.0503420000e+00 -2.9912930000e+00  1.3635030000e+00  4.2645600000e-01 -2.8796640000e+00 -1.9621450000e+00  1.8983700000e-01  3.1581320000e+00 -2.4157140000e+00  1.8772000000e-02  3.9835070000e+00 -1.1140520000e+00  5.4807400000e-01  3.4201170000e+00
+ENERGY -1.526543653061e+02
+FORCES -4.0063000000e-03 -1.0443000000e-03  2.6928000000e-03  1.3834000000e-03  3.4837000000e-03 -1.1446000000e-03  2.6738000000e-03 -2.4368000000e-03 -1.5919000000e-03  1.5174000000e-03  7.8260000000e-04  4.6115000000e-03  1.8747000000e-03  6.9690000000e-04 -3.3808000000e-03 -3.4430000000e-03 -1.4821000000e-03 -1.1869000000e-03
+
+JOB 75
+COORDS  1.8688650000e+00  6.6452000000e-01  3.4063430000e+00  2.4432720000e+00  5.8452600000e-01  2.6448380000e+00  1.0959350000e+00  1.1230180000e+00  3.0768140000e+00 -1.9142610000e+00 -6.5761300000e-01 -3.3310050000e+00 -1.0625330000e+00 -2.3479500000e-01 -3.4406270000e+00 -1.7318690000e+00 -1.5925980000e+00 -3.4246450000e+00
+ENERGY -1.526540546542e+02
+FORCES -9.2280000000e-04  1.5806000000e-03 -4.3928000000e-03 -2.3072000000e-03  2.9280000000e-04  3.0505000000e-03  3.2503000000e-03 -1.8736000000e-03  1.3306000000e-03  4.1077000000e-03 -2.2125000000e-03 -1.0039000000e-03 -3.4300000000e-03 -1.6659000000e-03  5.9760000000e-04 -6.9800000000e-04  3.8787000000e-03  4.1810000000e-04
+
+JOB 76
+COORDS  3.0845600000e-01 -4.0638900000e-01  4.2278320000e+00  1.1043420000e+00  1.0641000000e-01  4.0869960000e+00 -2.2062000000e-01 -2.4791700000e-01  3.4460410000e+00 -3.0224600000e-01  4.2411800000e-01 -4.1670460000e+00 -5.9747000000e-01  8.6301000000e-02 -5.0125950000e+00 -4.6529000000e-01 -2.9145700000e-01 -3.5525530000e+00
+ENERGY -1.526541418732e+02
+FORCES  1.1154000000e-03  2.8588000000e-03 -3.7291000000e-03 -3.2518000000e-03 -2.1416000000e-03  5.8240000000e-04  2.1326000000e-03 -7.4560000000e-04  3.1548000000e-03 -1.8817000000e-03 -4.3312000000e-03 -1.1208000000e-03  1.2053000000e-03  1.3789000000e-03  3.4843000000e-03  6.8030000000e-04  2.9806000000e-03 -2.3717000000e-03
+
+JOB 77
+COORDS -2.5173100000e+00  3.4264890000e+00 -9.6457200000e-01 -3.4678110000e+00  3.4632180000e+00 -8.5765500000e-01 -2.3786720000e+00  2.7830810000e+00 -1.6595810000e+00  2.5390270000e+00 -3.3630330000e+00  9.4139000000e-01  2.5322670000e+00 -4.2943950000e+00  1.1621860000e+00  2.8354040000e+00 -2.9288970000e+00  1.7413390000e+00
+ENERGY -1.526541324800e+02
+FORCES -3.2229000000e-03 -2.5976000000e-03 -2.4143000000e-03  3.8471000000e-03 -1.1210000000e-04 -4.1830000000e-04 -6.3970000000e-04  2.7082000000e-03  2.8120000000e-03  1.2048000000e-03 -1.9445000000e-03  4.2110000000e-03  8.2000000000e-06  3.7800000000e-03 -9.2250000000e-04 -1.1976000000e-03 -1.8339000000e-03 -3.2679000000e-03
+
+JOB 78
+COORDS -3.1365190000e+00  3.3472300000e+00 -1.6537620000e+00 -2.6690530000e+00  4.0515020000e+00 -2.1028810000e+00 -2.9140940000e+00  2.5582460000e+00 -2.1479920000e+00  3.1424720000e+00 -3.3122160000e+00  1.7418770000e+00  2.6262080000e+00 -2.8566590000e+00  1.0769170000e+00  2.9293820000e+00 -4.2372740000e+00  1.6190280000e+00
+ENERGY -1.526540117110e+02
+FORCES  2.7894000000e-03 -2.6060000000e-04 -3.8481000000e-03 -1.9049000000e-03 -2.9102000000e-03  1.8254000000e-03 -8.8010000000e-04  3.1646000000e-03  2.0355000000e-03 -3.0114000000e-03 -1.9127000000e-03 -3.1444000000e-03  2.1270000000e-03 -1.8607000000e-03  2.6578000000e-03  8.8000000000e-04  3.7796000000e-03  4.7380000000e-04
+
+JOB 79
+COORDS -1.0665470000e+00  4.2232590000e+00  2.4079460000e+00 -1.7837540000e+00  4.6091650000e+00  2.9108600000e+00 -1.4188180000e+00  3.3937830000e+00  2.0852910000e+00  1.0834910000e+00 -4.2480490000e+00 -2.4058580000e+00  1.8097810000e+00 -3.9234630000e+00 -1.8735250000e+00  1.1217810000e+00 -3.7265470000e+00 -3.2076070000e+00
+ENERGY -1.526541576970e+02
+FORCES -4.4049000000e-03 -1.8088000000e-03  7.6920000000e-04  2.9323000000e-03 -1.5668000000e-03 -2.0565000000e-03  1.4748000000e-03  3.3905000000e-03  1.2923000000e-03  3.1845000000e-03  3.4291000000e-03 -1.1259000000e-03 -2.9975000000e-03 -1.3220000000e-03 -2.1595000000e-03 -1.8930000000e-04 -2.1219000000e-03  3.2803000000e-03
+
+JOB 80
+COORDS  9.9607700000e-01  4.3264180000e+00 -2.4104740000e+00  1.9133900000e-01  4.5757590000e+00 -2.8648510000e+00  6.9627900000e-01  3.8674440000e+00 -1.6258110000e+00 -9.9220200000e-01 -4.2894370000e+00  2.4201730000e+00 -4.1656300000e-01 -3.9156520000e+00  1.7529740000e+00 -6.2759900000e-01 -5.1574940000e+00  2.5927280000e+00
+ENERGY -1.526541339773e+02
+FORCES -4.5432000000e-03 -7.9550000000e-04  1.3693000000e-03  3.2963000000e-03 -1.0317000000e-03  1.8401000000e-03  1.2568000000e-03  1.8303000000e-03 -3.2192000000e-03  3.8622000000e-03 -2.0877000000e-03 -1.9971000000e-03 -2.3781000000e-03 -1.4674000000e-03  2.7153000000e-03 -1.4940000000e-03  3.5519000000e-03 -7.0850000000e-04
+
+JOB 81
+COORDS  4.5214710000e+00  2.0992930000e+00  1.0990920000e+00  5.0384170000e+00  2.8921080000e+00  1.2420710000e+00  4.6576480000e+00  1.5780640000e+00  1.8902980000e+00 -4.5194360000e+00 -2.0876270000e+00 -1.1313970000e+00 -4.6400640000e+00 -3.0355710000e+00 -1.1869260000e+00 -5.2713750000e+00 -1.7223010000e+00 -1.5976120000e+00
+ENERGY -1.526539665229e+02
+FORCES  2.5717000000e-03  1.0766000000e-03  3.8223000000e-03 -2.0867000000e-03 -3.2267000000e-03 -5.9260000000e-04 -5.0060000000e-04  2.1409000000e-03 -3.2252000000e-03 -3.4996000000e-03 -2.3441000000e-03 -2.1638000000e-03  4.7200000000e-04  3.8571000000e-03  2.4380000000e-04  3.0433000000e-03 -1.5038000000e-03  1.9155000000e-03
+
+JOB 82
+COORDS  1.0969320000e+00  1.8409570000e+00  4.7985550000e+00  1.6131920000e+00  2.4114560000e+00  4.2291350000e+00  1.0048560000e+00  2.3348400000e+00  5.6133140000e+00 -1.0731000000e+00 -1.9384430000e+00 -4.8013790000e+00 -1.1132040000e+00 -1.3088870000e+00 -5.5212980000e+00 -1.8903870000e+00 -1.8060740000e+00 -4.3210120000e+00
+ENERGY -1.526540555777e+02
+FORCES  1.7793000000e-03  4.3083000000e-03  9.8700000000e-04 -2.1316000000e-03 -2.3018000000e-03  2.3353000000e-03  3.5780000000e-04 -2.0077000000e-03 -3.3252000000e-03 -3.5072000000e-03  3.0944000000e-03 -9.0550000000e-04  1.7470000000e-04 -2.5602000000e-03  2.9187000000e-03  3.3269000000e-03 -5.3300000000e-04 -2.0103000000e-03
+
+JOB 83
+COORDS  3.4983000000e-02  8.2287000000e-02 -5.7028090000e+00 -6.2862900000e-01  1.3912100000e-01 -5.0153340000e+00  3.5872200000e-01  9.7798100000e-01 -5.7984990000e+00 -3.8311000000e-02 -1.8882600000e-01  5.6911340000e+00 -4.9402300000e-01  4.7766100000e-01  5.1769810000e+00  8.3989200000e-01  1.6849200000e-01  5.8227210000e+00
+ENERGY -1.526540223236e+02
+FORCES -1.4027000000e-03  3.8533000000e-03  2.3913000000e-03  2.7204000000e-03 -2.0440000000e-04 -2.7943000000e-03 -1.3167000000e-03 -3.6470000000e-03  4.1030000000e-04  1.7464000000e-03  4.1549000000e-03 -1.5227000000e-03  1.8509000000e-03 -2.7129000000e-03  2.0681000000e-03 -3.5983000000e-03 -1.4439000000e-03 -5.5250000000e-04
+
+JOB 84
+COORDS -5.1643520000e+00  1.5391900000e+00  1.7873140000e+00 -4.7547240000e+00  2.3754080000e+00  2.0090700000e+00 -6.1029840000e+00  1.6976280000e+00  1.8878070000e+00  5.1795990000e+00 -1.6447010000e+00 -1.7756190000e+00  4.6562890000e+00 -8.4631300000e-01 -1.7052270000e+00  5.8924550000e+00 -1.4127020000e+00 -2.3708030000e+00
+ENERGY -1.526540445572e+02
+FORCES -2.1779000000e-03  4.0275000000e-03  1.3409000000e-03 -1.6553000000e-03 -3.4011000000e-03 -9.2380000000e-04  3.8352000000e-03 -6.3370000000e-04 -4.1720000000e-04  7.0850000000e-04  4.1917000000e-03 -2.1349000000e-03  2.1805000000e-03 -3.2398000000e-03 -2.9370000000e-04 -2.8910000000e-03 -9.4460000000e-04  2.4287000000e-03
+
+JOB 85
+COORDS -3.6530570000e+00  3.8217050000e+00 -5.4914740000e+00 -4.4360220000e+00  3.9646050000e+00 -4.9597070000e+00 -3.7623110000e+00  2.9398600000e+00 -5.8473480000e+00  3.6947540000e+00 -3.8506790000e+00  5.4854080000e+00  4.4694980000e+00 -3.3422020000e+00  5.7251060000e+00  3.0746020000e+00 -3.2012690000e+00  5.1538800000e+00
+ENERGY -1.526540917222e+02
+FORCES -3.6528000000e-03 -3.0137000000e-03  6.9350000000e-04  3.2018000000e-03 -5.8280000000e-04 -2.1574000000e-03  4.5110000000e-04  3.5981000000e-03  1.4624000000e-03  6.4340000000e-04  4.7319000000e-03 -3.7960000000e-04 -3.1630000000e-03 -2.0778000000e-03 -9.7340000000e-04  2.5195000000e-03 -2.6557000000e-03  1.3547000000e-03
+
+JOB 86
+COORDS  8.4347710000e+00 -2.2580410000e+00  4.2213500000e-01  8.8604240000e+00 -2.2241010000e+00 -4.3454400000e-01  8.2217500000e+00 -3.1827370000e+00  5.4780400000e-01 -8.3945070000e+00  2.3492520000e+00 -4.0643100000e-01 -9.0272890000e+00  2.5149400000e+00  2.9240200000e-01 -8.5962700000e+00  1.4634240000e+00 -7.0781400000e-01
+ENERGY -1.526540601867e+02
+FORCES  8.5610000000e-04 -3.6231000000e-03 -2.9881000000e-03 -1.7308000000e-03 -1.4420000000e-04  3.4972000000e-03  8.7330000000e-04  3.7676000000e-03 -5.0980000000e-04 -3.3937000000e-03 -2.9349000000e-03  1.6304000000e-03  2.5762000000e-03 -6.7760000000e-04 -2.8549000000e-03  8.1880000000e-04  3.6122000000e-03  1.2251000000e-03
+
+JOB 87
+COORDS -4.1701600000e-01 -9.8023760000e+00  3.7486770000e+00 -5.5315900000e-01 -1.0012656000e+01  4.6725160000e+00 -3.1212100000e-01 -1.0652736000e+01  3.3219260000e+00  3.7913300000e-01  9.9012590000e+00 -3.7354600000e+00  1.3018740000e+00  9.6607100000e+00 -3.6522870000e+00  9.2179000000e-02  9.4760500000e+00 -4.5435980000e+00
+ENERGY -1.526540785948e+02
+FORCES -1.3200000000e-04 -4.3257000000e-03  2.0329000000e-03  5.5740000000e-04  8.5650000000e-04 -3.7703000000e-03 -4.2580000000e-04  3.4692000000e-03  1.7380000000e-03  2.5912000000e-03 -2.7302000000e-03 -2.9503000000e-03 -3.7618000000e-03  9.8870000000e-04 -3.4250000000e-04  1.1711000000e-03  1.7415000000e-03  3.2922000000e-03
+
+JOB 88
+COORDS -1.0180783000e+01  3.9816800000e+00 -2.6240900000e+00 -1.0902685000e+01  3.9299710000e+00 -3.2505210000e+00 -1.0481781000e+01  4.6038520000e+00 -1.9618710000e+00  1.0283735000e+01 -4.0701260000e+00  2.6343690000e+00  9.4102890000e+00 -4.0316340000e+00  2.2447000000e+00  1.0486510000e+01 -3.1620370000e+00  2.8590660000e+00
+ENERGY -1.526540859244e+02
+FORCES -4.1792000000e-03  2.3259000000e-03  1.4380000000e-04  2.9468000000e-03  2.1150000000e-04  2.5558000000e-03  1.2316000000e-03 -2.5375000000e-03 -2.6999000000e-03 -2.7433000000e-03  3.8619000000e-03 -6.7640000000e-04  3.5666000000e-03 -1.5790000000e-04  1.5910000000e-03 -8.2240000000e-04 -3.7040000000e-03 -9.1430000000e-04
+
+JOB 89
+COORDS -3.9610200000e-01  8.3712610000e+00 -7.6602900000e+00 -3.0527800000e-01  7.4758450000e+00 -7.9861930000e+00  4.2256000000e-01  8.8009980000e+00 -7.9079820000e+00  2.9421100000e-01 -8.3199340000e+00  7.6568290000e+00  4.1001800000e-01 -8.3177170000e+00  8.6069950000e+00  1.0737930000e+00 -8.7623800000e+00  7.3210820000e+00
+ENERGY -1.526540704926e+02
+FORCES  3.7070000000e-03 -1.9057000000e-03 -2.3344000000e-03 -3.6820000000e-04  3.6559000000e-03  1.3258000000e-03 -3.3386000000e-03 -1.7506000000e-03  1.0086000000e-03  3.6492000000e-03 -1.7932000000e-03  2.5093000000e-03 -4.7050000000e-04 -1.0700000000e-05 -3.8771000000e-03 -3.1789000000e-03  1.8043000000e-03  1.3678000000e-03
+
+JOB 0
+COORDS -1.4370400000e-01 -1.2012710000e+00  1.4439000000e-01  5.7353600000e-01 -1.8140540000e+00  3.0654500000e-01 -8.0602200000e-01 -1.4289590000e+00  7.9686600000e-01  1.9393900000e-01  1.2685730000e+00 -1.7850300000e-01 -5.0111800000e-01  1.8122970000e+00 -5.4930200000e-01 -2.0917500000e-01  4.0776700000e-01 -6.5607000000e-02
+ENERGY -1.526545319928e+02
+FORCES  7.6643000000e-03  1.5118900000e-02 -9.7880000000e-04 -5.4811000000e-03  8.1520000000e-04  4.8960000000e-04  3.6694000000e-03  3.5168000000e-03 -3.8112000000e-03 -1.0900000000e-03 -2.1225300000e-02  1.6651000000e-03  2.2710000000e-04 -5.1722000000e-03  1.7728000000e-03 -4.9897000000e-03  6.9466000000e-03  8.6250000000e-04
+
+JOB 1
+COORDS -1.6793300000e-01  1.1554910000e+00  6.4244900000e-01 -1.3451000000e-02  2.6248300000e-01  3.3438300000e-01 -7.9349500000e-01  1.5204250000e+00  1.6569000000e-02  1.7382600000e-01 -1.0934590000e+00 -5.3775300000e-01  1.0565610000e+00 -1.2955260000e+00 -8.4788000000e-01 -4.0468100000e-01 -1.4460060000e+00 -1.2139720000e+00
+ENERGY -1.526560460885e+02
+FORCES  1.1301000000e-03 -1.9480800000e-02 -1.2710600000e-02  1.4279000000e-03  4.3343000000e-03  4.0716000000e-03  9.8380000000e-04 -1.2087000000e-03  1.0903000000e-03 -2.4314000000e-03  1.4155900000e-02  4.5779000000e-03 -5.5054000000e-03  5.9380000000e-04  7.1870000000e-04  4.3950000000e-03  1.6054000000e-03  2.2522000000e-03
+
+JOB 2
+COORDS  6.0418300000e-01 -1.1831760000e+00  2.1513700000e-01  2.1065000000e-02 -4.2493700000e-01  2.5089800000e-01  9.8542600000e-01 -1.1515600000e+00 -6.6229500000e-01 -5.8602000000e-01  1.1323210000e+00 -1.1065500000e-01 -1.3725920000e+00  9.6860700000e-01 -6.3097600000e-01  5.0153000000e-02  1.4746800000e+00 -7.3859200000e-01
+ENERGY -1.526559317854e+02
+FORCES -9.1836000000e-03  1.9057500000e-02 -3.6384000000e-03  2.2751000000e-03 -8.5666000000e-03 -3.8280000000e-04 -1.0688000000e-03  1.1623000000e-03  1.7408000000e-03  5.7375000000e-03 -6.6901000000e-03 -2.8272000000e-03  6.0155000000e-03 -1.2203000000e-03  2.6432000000e-03 -3.7757000000e-03 -3.7428000000e-03  2.4644000000e-03
+
+JOB 3
+COORDS -7.3873400000e-01  5.1012000000e-02 -9.9796000000e-01 -1.5801450000e+00 -1.6115500000e-01 -5.9392500000e-01 -9.5698800000e-01  2.7783400000e-01 -1.9019230000e+00  7.8829700000e-01 -8.4337000000e-02  1.0841940000e+00  1.5333620000e+00  4.8303200000e-01  8.8619600000e-01  2.7387700000e-01 -9.5354000000e-02  2.7705000000e-01
+ENERGY -1.526567533087e+02
+FORCES  7.7903000000e-03  1.8670000000e-04  8.5480000000e-03  5.6084000000e-03  1.0550000000e-03 -2.5957000000e-03 -1.4623000000e-03 -1.0440000000e-03  4.8528000000e-03 -7.5778000000e-03  3.3076000000e-03 -1.7122900000e-02 -1.7506000000e-03 -1.3589000000e-03 -1.4850000000e-04 -2.6080000000e-03 -2.1464000000e-03  6.4664000000e-03
+
+JOB 4
+COORDS -1.1244950000e+00  2.6685000000e-01 -5.6870900000e-01 -6.7423000000e-01  4.1141800000e-01 -1.4009310000e+00 -1.8142840000e+00  9.3024900000e-01 -5.5064500000e-01  1.1708090000e+00 -2.9003200000e-01  6.7913900000e-01  3.2696000000e-01 -4.3813000000e-02  3.0029000000e-01  1.5065220000e+00 -9.7042100000e-01  9.5529000000e-02
+ENERGY -1.526580268557e+02
+FORCES  4.2817000000e-03  2.2427000000e-03  2.5716000000e-03 -6.4630000000e-04 -1.4082000000e-03  6.5087000000e-03  3.5990000000e-03 -3.3595000000e-03 -1.9780000000e-03 -1.4713200000e-02  1.3173000000e-03 -5.8724000000e-03  9.3944000000e-03 -1.7430000000e-03 -1.3172000000e-03 -1.9156000000e-03  2.9508000000e-03  8.7300000000e-05
+
+JOB 5
+COORDS -4.5820400000e-01  3.1818800000e-01  1.2595020000e+00 -6.0688700000e-01  1.2617840000e+00  1.1982420000e+00  1.6465200000e-01  1.2735300000e-01  5.5817100000e-01  4.3153700000e-01 -3.0890800000e-01 -1.1653880000e+00 -2.7789900000e-01 -9.3926100000e-01 -1.2902410000e+00  1.1085130000e+00 -5.8392600000e-01 -1.7836920000e+00
+ENERGY -1.526600548625e+02
+FORCES  6.5530000000e-03  4.2020000000e-04 -1.3065200000e-02  4.9510000000e-04 -2.6085000000e-03 -1.5300000000e-05 -4.3172000000e-03  5.0500000000e-05  6.7589000000e-03 -3.6122000000e-03 -1.3145000000e-03  3.9707000000e-03  5.3251000000e-03  2.7331000000e-03 -1.9880000000e-04 -4.4439000000e-03  7.1920000000e-04  2.5497000000e-03
+
+JOB 6
+COORDS -5.6473400000e-01  9.5373700000e-01 -7.8760700000e-01 -2.3971000000e-02  4.9488300000e-01 -1.4475400000e-01  1.0252000000e-02  1.6298860000e+00 -1.1459980000e+00  5.1077400000e-01 -9.2409000000e-01  7.0990100000e-01  6.9580300000e-01 -6.8163400000e-01  1.6172100000e+00  2.1045300000e-01 -1.8315500000e+00  7.6045800000e-01
+ENERGY -1.526578401329e+02
+FORCES  6.8316000000e-03 -1.1362700000e-02  7.3674000000e-03 -1.0422000000e-03  9.2915000000e-03 -1.5198000000e-03 -2.4360000000e-04 -3.2336000000e-03  2.7650000000e-03 -6.7788000000e-03  1.4406000000e-03 -5.1968000000e-03 -1.6130000000e-03  9.7900000000e-05 -5.6408000000e-03  2.8459000000e-03  3.7663000000e-03  2.2250000000e-03
+
+JOB 7
+COORDS  4.7107600000e-01  1.1583600000e+00 -3.1927100000e-01  1.0189910000e+00  1.9324490000e+00 -1.8962700000e-01 -3.0156900000e-01  1.4856370000e+00 -7.7986000000e-01 -5.0966400000e-01 -1.2122190000e+00  3.6635300000e-01 -1.1435000000e-01 -2.0450300000e+00  1.0870200000e-01  1.0743100000e-01 -5.4829700000e-01  5.8726000000e-02
+ENERGY -1.526599116775e+02
+FORCES -3.4310000000e-03 -3.1105000000e-03  2.2382000000e-03 -3.8168000000e-03 -2.2515000000e-03 -1.5189000000e-03  5.0767000000e-03 -5.7640000000e-04  2.0003000000e-03  6.7306000000e-03  9.6104000000e-03 -2.4511000000e-03  1.8810000000e-04  3.9287000000e-03  2.5240000000e-04 -4.7477000000e-03 -7.6008000000e-03 -5.2080000000e-04
+
+JOB 8
+COORDS  6.8490100000e-01 -2.8428300000e-01 -1.1850000000e+00  9.0005500000e-01  6.2757800000e-01 -1.3810860000e+00  2.8529800000e-01 -2.5498000000e-01 -3.1569500000e-01 -6.4831400000e-01  2.2847300000e-01  1.0857980000e+00 -2.1753000000e-01  7.1644000000e-02  1.9260730000e+00 -1.5711000000e+00  3.5144700000e-01  1.3084530000e+00
+ENERGY -1.526594251292e+02
+FORCES -8.3048000000e-03  5.8238000000e-03  1.2440000000e-02 -3.1920000000e-04 -2.2369000000e-03  2.0520000000e-04  6.1625000000e-03 -2.6116000000e-03 -4.0155000000e-03 -1.3800000000e-05 -1.6699000000e-03 -5.0854000000e-03 -2.5973000000e-03  7.0940000000e-04 -4.7808000000e-03  5.0725000000e-03 -1.4800000000e-05  1.2364000000e-03
+
+JOB 9
+COORDS -1.1267640000e+00 -6.2945900000e-01 -5.6865000000e-02 -1.0221540000e+00 -1.5794870000e+00 -1.0917100000e-01 -2.0562220000e+00 -4.8044800000e-01 -2.3046400000e-01  1.1777110000e+00  7.3530000000e-01  5.7512000000e-02  1.9043480000e+00  1.2209100000e-01  1.6799000000e-01  3.9243800000e-01  1.9966500000e-01  1.7008700000e-01
+ENERGY -1.526583397684e+02
+FORCES  3.2744000000e-03  4.2037000000e-03 -1.3504000000e-03 -2.2610000000e-04  5.0446000000e-03  4.5380000000e-04  3.8711000000e-03 -3.2279000000e-03  4.8020000000e-04 -1.1853600000e-02 -7.3597000000e-03 -4.9970000000e-04 -3.5894000000e-03  2.5270000000e-04 -4.8480000000e-04  8.5236000000e-03  1.0867000000e-03  1.4009000000e-03
+
+JOB 10
+COORDS -1.4788100000e-01 -1.0233290000e+00  8.1782700000e-01 -3.4701100000e-01 -1.8425210000e+00  3.6450100000e-01 -9.0564500000e-01 -8.7120700000e-01  1.3825250000e+00  1.3886100000e-01  1.0723690000e+00 -8.3404100000e-01  9.2288700000e-01  1.5842080000e+00 -1.0329260000e+00  4.6768300000e-01  2.9589400000e-01 -3.8105800000e-01
+ENERGY -1.526592244559e+02
+FORCES -5.6257000000e-03  5.0228000000e-03 -2.1253000000e-03  1.0813000000e-03  4.4527000000e-03  1.6599000000e-03  3.2350000000e-03 -3.1050000000e-03 -1.8763000000e-03  7.8000000000e-05 -8.8366000000e-03  7.6188000000e-03 -1.9753000000e-03 -3.5142000000e-03  2.1734000000e-03  3.2066000000e-03  5.9804000000e-03 -7.4505000000e-03
+
+JOB 11
+COORDS -2.5303000000e-02 -6.9791400000e-01  1.2065840000e+00  1.0796100000e-01 -4.3652000000e-02  5.2071700000e-01  7.9538500000e-01 -6.9973800000e-01  1.6992310000e+00 -1.1127000000e-02  6.3777300000e-01 -1.1305540000e+00 -7.9710000000e-01  3.5755300000e-01 -1.5995470000e+00  4.2277400000e-01  1.2444990000e+00 -1.7304250000e+00
+ENERGY -1.526600905319e+02
+FORCES  2.8082000000e-03  6.9198000000e-03 -1.0437000000e-02 -1.1856000000e-03 -4.2408000000e-03  7.5665000000e-03 -1.8423000000e-03  1.0131000000e-03 -2.4136000000e-03 -1.4032000000e-03 -3.1989000000e-03  2.6590000000e-03  4.4354000000e-03  2.8096000000e-03  1.0181000000e-03 -2.8125000000e-03 -3.3028000000e-03  1.6069000000e-03
+
+JOB 12
+COORDS  1.0043780000e+00 -4.7181200000e-01 -7.6310800000e-01  8.8609500000e-01 -1.4200050000e+00 -7.0680100000e-01  1.7529750000e+00 -2.8920700000e-01 -1.9522600000e-01 -1.0324480000e+00  5.4822400000e-01  7.8846300000e-01 -1.8298450000e+00  3.3164200000e-01  3.0526300000e-01 -3.2242500000e-01  2.0486200000e-01  2.4606000000e-01
+ENERGY -1.526603933804e+02
+FORCES  9.9170000000e-04 -1.9579000000e-03  3.3126000000e-03 -3.1910000000e-04  5.7929000000e-03  5.3870000000e-04 -5.8786000000e-03 -1.1390000000e-03 -2.2030000000e-03  8.9259000000e-03 -5.0012000000e-03 -1.1307100000e-02  2.6741000000e-03 -3.7590000000e-04  1.0650000000e-03 -6.3940000000e-03  2.6811000000e-03  8.5937000000e-03
+
+JOB 13
+COORDS -7.6514200000e-01 -5.0830200000e-01 -1.0544390000e+00 -1.0508310000e+00 -1.4089090000e+00 -9.0107800000e-01 -1.8722300000e-01 -3.1104100000e-01 -3.1733000000e-01  7.7601300000e-01  5.5367700000e-01  9.4484100000e-01  8.1780200000e-01 -2.5861100000e-01  1.4494940000e+00  2.8734700000e-01  1.1582930000e+00  1.5033000000e+00
+ENERGY -1.526575067666e+02
+FORCES  7.6768000000e-03  5.2020000000e-03  9.1706000000e-03  2.3906000000e-03  3.3934000000e-03  1.9369000000e-03 -5.3792000000e-03 -9.1292000000e-03 -4.0948000000e-03 -4.2888000000e-03  1.5118000000e-03  1.6729000000e-03 -3.5667000000e-03  2.9460000000e-03 -6.6389000000e-03  3.1673000000e-03 -3.9240000000e-03 -2.0466000000e-03
+
+JOB 14
+COORDS -1.0341400000e-01  8.9830300000e-01 -9.6932300000e-01 -8.8613100000e-01  1.4436540000e+00 -8.9071700000e-01 -6.7842000000e-02  6.6172100000e-01 -1.8961430000e+00  1.4043100000e-01 -9.8305800000e-01  1.0482380000e+00  5.6110000000e-03 -7.6123800000e-01  1.2690700000e-01  3.3690500000e-01 -1.4664700000e-01  1.4701930000e+00
+ENERGY -1.526583115347e+02
+FORCES -2.7322000000e-03  4.4040000000e-04  6.4630000000e-04  4.3236000000e-03 -2.5626000000e-03 -5.9480000000e-04 -9.0920000000e-04 -4.0860000000e-04  5.6508000000e-03  2.2740000000e-04  1.2585100000e-02 -9.2698000000e-03  2.5300000000e-05 -7.3845000000e-03  1.7736000000e-03 -9.3500000000e-04 -2.6699000000e-03  1.7940000000e-03
+
+JOB 15
+COORDS -5.0539200000e-01 -1.2274540000e+00 -1.2391600000e-01 -1.4430060000e+00 -1.1660820000e+00 -3.0652600000e-01 -2.0659400000e-01 -1.9695260000e+00 -6.4954100000e-01  5.8379000000e-01  1.3165640000e+00  1.4677100000e-01  8.3246100000e-01  3.9400300000e-01  2.0400700000e-01 -3.4744500000e-01  1.3282720000e+00  3.6789900000e-01
+ENERGY -1.526563612117e+02
+FORCES -1.8944000000e-03  2.5520000000e-03 -3.2836000000e-03  4.1577000000e-03 -1.3160000000e-04  1.1264000000e-03 -9.7010000000e-04  3.9509000000e-03  2.4426000000e-03 -7.3647000000e-03 -1.2942500000e-02 -4.0450000000e-04  5.1443000000e-03  3.9878000000e-03  5.4840000000e-04  9.2720000000e-04  2.5834000000e-03 -4.2940000000e-04
+
+JOB 16
+COORDS -3.3523800000e-01  1.0176230000e+00 -8.2209500000e-01  4.3861400000e-01  1.1576590000e+00 -1.3677820000e+00 -5.0663400000e-01  1.8715600000e+00 -4.2504900000e-01  3.5977600000e-01 -1.0669750000e+00  8.5839400000e-01  3.1471000000e-02 -5.6949600000e-01  1.0942000000e-01 -3.3944800000e-01 -1.6893920000e+00  1.0581820000e+00
+ENERGY -1.526603471371e+02
+FORCES  2.7722000000e-03  2.3775000000e-03  4.9943000000e-03 -3.8032000000e-03 -1.3585000000e-03  3.4997000000e-03  1.0883000000e-03 -2.8630000000e-03 -3.5955000000e-03 -5.4803000000e-03  7.8924000000e-03 -6.9374000000e-03  4.0015000000e-03 -8.9685000000e-03  3.2492000000e-03  1.4216000000e-03  2.9201000000e-03 -1.2102000000e-03
+
+JOB 17
+COORDS -5.9536000000e-02  1.2728550000e+00 -4.1447900000e-01 -6.5710000000e-02  1.7627570000e+00  4.0782800000e-01 -4.5477500000e-01  1.8680990000e+00 -1.0514270000e+00  4.7708000000e-02 -1.3272850000e+00  4.6490700000e-01  1.6964000000e-01 -6.3065000000e-01 -1.8012300000e-01  4.6992400000e-01 -2.0924700000e+00  7.4450000000e-02
+ENERGY -1.526605511964e+02
+FORCES -2.0390000000e-03  5.6600000000e-05  3.7899000000e-03 -2.5870000000e-04 -4.1370000000e-04 -5.0538000000e-03  1.7151000000e-03 -1.9351000000e-03  3.4650000000e-03  3.6950000000e-04  7.7105000000e-03 -4.9358000000e-03  1.5529000000e-03 -9.1922000000e-03  2.8362000000e-03 -1.3399000000e-03  3.7739000000e-03 -1.0150000000e-04
+
+JOB 18
+COORDS  1.4352000000e-01 -1.3996830000e+00 -2.6107100000e-01  3.4558200000e-01 -4.6422300000e-01 -2.7887000000e-01 -5.2736900000e-01 -1.5131430000e+00 -9.3432200000e-01 -1.1676400000e-01  1.2922150000e+00  3.2496400000e-01  6.2683500000e-01  1.7874810000e+00 -1.8555000000e-02 -8.6458300000e-01  1.8811060000e+00  2.2394100000e-01
+ENERGY -1.526568652524e+02
+FORCES -4.6050000000e-03  1.2672000000e-02  1.0582000000e-03  5.7622000000e-03 -5.6796000000e-03 -3.3080000000e-03  1.7396000000e-03  1.1470000000e-04  1.9389000000e-03 -3.3115000000e-03  2.6520000000e-04 -4.2850000000e-04 -3.9223000000e-03 -5.4536000000e-03  3.6290000000e-04  4.3370000000e-03 -1.9187000000e-03  3.7640000000e-04
+
+JOB 19
+COORDS -6.5978900000e-01  4.2797400000e-01  1.0922430000e+00 -2.5902600000e-01 -2.4840100000e-01  1.6382630000e+00 -1.5422520000e+00  5.3203400000e-01  1.4481410000e+00  6.7291300000e-01 -3.9444600000e-01 -1.2197500000e+00  1.4548680000e+00 -7.3019700000e-01 -7.8151500000e-01  1.3491300000e-01 -3.9539000000e-02 -5.1205800000e-01
+ENERGY -1.526593653954e+02
+FORCES -2.0034000000e-03 -2.5822000000e-03  1.8600000000e-04 -1.3886000000e-03  3.2268000000e-03 -4.3709000000e-03  4.8039000000e-03 -1.0970000000e-03 -2.1370000000e-04 -4.6818000000e-03  4.4800000000e-03  1.0068600000e-02 -3.0223000000e-03  6.1850000000e-04 -4.3000000000e-06  6.2923000000e-03 -4.6460000000e-03 -5.6658000000e-03
+
+JOB 20
+COORDS  3.4560000000e-01  1.2964770000e+00  1.1164000000e-01  5.9325400000e-01  1.4886540000e+00  1.0160560000e+00  7.6520800000e-01  1.9854200000e+00 -4.0364500000e-01 -3.6030500000e-01 -1.4025550000e+00 -1.6415400000e-01 -3.3710400000e-01 -5.1803900000e-01 -5.2929200000e-01 -8.2768900000e-01 -1.3074110000e+00  6.6574500000e-01
+ENERGY -1.526579352277e+02
+FORCES  2.7929000000e-03 -1.5302000000e-03  3.0900000000e-03 -1.3915000000e-03  4.1960000000e-04 -4.1246000000e-03 -1.7017000000e-03 -3.5829000000e-03  2.5240000000e-03  1.1985000000e-03  1.2376500000e-02  2.9542000000e-03 -2.4651000000e-03 -6.4340000000e-03 -2.9143000000e-03  1.5669000000e-03 -1.2490000000e-03 -1.5293000000e-03
+
+JOB 21
+COORDS -6.5545600000e-01  1.3064980000e+00 -1.4043300000e-01 -2.7370600000e-01  4.8690400000e-01  1.7383600000e-01 -3.3370400000e-01  1.3925440000e+00 -1.0378210000e+00  5.6152700000e-01 -1.2483450000e+00  1.3241100000e-01  6.4196600000e-01 -2.0422730000e+00  6.6103200000e-01  1.3158090000e+00 -7.1528200000e-01  3.8367600000e-01
+ENERGY -1.526580030355e+02
+FORCES  2.0536000000e-03 -1.0744100000e-02 -2.5157000000e-03  3.4358000000e-03  8.5274000000e-03  8.6480000000e-04 -1.9090000000e-04  4.2580000000e-04  3.1427000000e-03  1.5909000000e-03 -2.1970000000e-03  2.6126000000e-03  8.6690000000e-04  3.9997000000e-03 -2.7990000000e-03 -7.7563000000e-03 -1.1800000000e-05 -1.3054000000e-03
+
+JOB 22
+COORDS  1.1836410000e+00  5.0327600000e-01  6.7687400000e-01  3.7314700000e-01  2.8282000000e-02  4.9326400000e-01  9.3847000000e-01  1.1491150000e+00  1.3394550000e+00 -1.1136120000e+00 -4.4583100000e-01 -7.0171600000e-01 -8.5684500000e-01 -1.0296150000e+00 -1.4155080000e+00 -1.4747510000e+00 -1.0282660000e+00 -3.3450000000e-02
+ENERGY -1.526579662274e+02
+FORCES -1.0060600000e-02 -7.1150000000e-04 -4.7803000000e-03  6.0748000000e-03 -5.1040000000e-04  8.0922000000e-03 -1.1400000000e-04 -2.6796000000e-03 -2.1229000000e-03  4.9520000000e-04 -3.2044000000e-03 -3.9419000000e-03 -1.9834000000e-03  2.4486000000e-03  4.2164000000e-03  5.5879000000e-03  4.6573000000e-03 -1.4635000000e-03
+
+JOB 23
+COORDS -1.2717340000e+00 -2.4636500000e-01 -5.2003000000e-01 -1.5692180000e+00  3.2631100000e-01 -1.2269790000e+00 -1.2808810000e+00 -1.1239430000e+00 -9.0213800000e-01  1.2702760000e+00  3.2088200000e-01  6.2299300000e-01  2.1374150000e+00 -7.6015000000e-02  5.4068600000e-01  7.0918500000e-01 -2.0872900000e-01  5.6494000000e-02
+ENERGY -1.526575206585e+02
+FORCES -3.3036000000e-03  2.1145000000e-03 -3.3791000000e-03  1.0412000000e-03 -3.6719000000e-03  3.1112000000e-03  3.3780000000e-03  4.8562000000e-03  2.3755000000e-03 -6.1776000000e-03 -2.5980000000e-03 -3.6150000000e-03 -4.4336000000e-03  4.7260000000e-04 -8.1640000000e-04  9.4956000000e-03 -1.1733000000e-03  2.3239000000e-03
+
+JOB 24
+COORDS -8.3753300000e-01 -1.1925460000e+00  2.8737600000e-01 -3.0854700000e-01 -3.9580200000e-01  2.4731100000e-01 -1.6455510000e+00 -9.2245100000e-01  7.2371100000e-01  7.9858700000e-01  1.1498170000e+00 -2.7012700000e-01  1.0485270000e+00  1.4679160000e+00 -1.1376370000e+00  1.4310380000e+00  4.5780200000e-01 -7.6859000000e-02
+ENERGY -1.526588154676e+02
+FORCES  3.2410000000e-04  9.8576000000e-03 -8.5270000000e-04  2.0842000000e-03 -8.8778000000e-03  3.5987000000e-03  2.4877000000e-03 -8.6580000000e-04 -1.5133000000e-03  3.0247000000e-03 -5.4580000000e-04 -5.4691000000e-03  1.4700000000e-04 -1.0526000000e-03  4.5587000000e-03 -8.0677000000e-03  1.4844000000e-03 -3.2240000000e-04
+
+JOB 25
+COORDS  8.8870300000e-01 -6.9436000000e-01 -1.0058670000e+00 -2.0755000000e-02 -6.3561000000e-01 -7.1317600000e-01  1.3762820000e+00 -1.5403200000e-01 -3.8414000000e-01 -8.0183100000e-01  6.4874500000e-01  9.4608800000e-01 -1.3650340000e+00  2.0191400000e-01  1.5780490000e+00 -1.3714680000e+00  1.2985430000e+00  5.3437500000e-01
+ENERGY -1.526591203450e+02
+FORCES -5.2027000000e-03  6.1088000000e-03  9.6753000000e-03  1.4685000000e-03 -3.5494000000e-03 -5.5260000000e-03  1.7371000000e-03 -2.1002000000e-03 -3.4376000000e-03 -3.1648000000e-03  1.8588000000e-03  1.6950000000e-03  2.5063000000e-03  1.8632000000e-03 -3.9755000000e-03  2.6556000000e-03 -4.1813000000e-03  1.5688000000e-03
+
+JOB 26
+COORDS  9.5888100000e-01 -8.5913000000e-01  6.9900900000e-01  1.1543650000e+00 -6.2851700000e-01 -2.0919500000e-01  6.2326000000e-01 -1.7543490000e+00  6.5238700000e-01 -9.0576500000e-01  8.9395300000e-01 -7.0282100000e-01 -8.0354600000e-01  4.8044500000e-01  1.5438100000e-01 -1.8102960000e+00  1.2069580000e+00 -7.1195000000e-01
+ENERGY -1.526603218970e+02
+FORCES  1.6614000000e-03 -2.7359000000e-03 -6.3379000000e-03 -9.8290000000e-04 -1.8350000000e-03  5.7820000000e-03  4.6460000000e-04  4.4032000000e-03  3.9310000000e-04 -2.8860000000e-04 -1.3753000000e-03  5.3931000000e-03 -4.1963000000e-03  3.6552000000e-03 -6.5357000000e-03  3.3417000000e-03 -2.1122000000e-03  1.3053000000e-03
+
+JOB 27
+COORDS  3.2338800000e-01 -1.1051700000e-01 -1.3737340000e+00 -5.9557800000e-01  1.5652200000e-01 -1.3531490000e+00  4.9891200000e-01 -2.9560100000e-01 -2.2963210000e+00 -3.5055100000e-01  9.0978000000e-02  1.4461060000e+00  2.7498600000e-01  6.3034000000e-01  1.9298660000e+00  1.2142100000e-01 -1.7431500000e-01  6.5674300000e-01
+ENERGY -1.526607748118e+02
+FORCES -2.3991000000e-03  1.5660000000e-04 -3.5783000000e-03  5.7100000000e-03 -2.4725000000e-03  2.0380000000e-04 -2.0922000000e-03  1.7967000000e-03  3.3547000000e-03  6.5588000000e-03  1.3790000000e-04 -4.3471000000e-03 -1.9898000000e-03 -1.8786000000e-03 -1.5116000000e-03 -5.7877000000e-03  2.2599000000e-03  5.8786000000e-03
+
+JOB 28
+COORDS  1.2708320000e+00  8.1150000000e-02  8.0212200000e-01  5.0237900000e-01 -7.9794000000e-02  2.5457400000e-01  9.4817900000e-01 -3.3780000000e-03  1.6993290000e+00 -1.1382800000e+00 -7.7295000000e-02 -8.1418800000e-01 -1.6478140000e+00  6.9165800000e-01 -5.5861600000e-01 -1.7586750000e+00 -6.2865300000e-01 -1.2909980000e+00
+ENERGY -1.526611174849e+02
+FORCES -8.3537000000e-03 -2.5273000000e-03 -3.2107000000e-03  7.2048000000e-03  2.5170000000e-03  6.0305000000e-03  5.3310000000e-04  7.1090000000e-04 -2.8058000000e-03 -3.0240000000e-03  4.6600000000e-05 -1.4049000000e-03  2.1168000000e-03 -4.5331000000e-03 -8.1340000000e-04  1.5230000000e-03  3.7859000000e-03  2.2042000000e-03
+
+JOB 29
+COORDS  4.3740000000e-01  8.9439700000e-01  1.1438630000e+00  3.0709200000e-01  4.9527800000e-01  2.8365600000e-01 -4.4708300000e-01  1.0836160000e+00  1.4571010000e+00 -3.6648000000e-01 -8.2807900000e-01 -1.1505890000e+00 -1.2024090000e+00 -1.1088410000e+00 -7.7826400000e-01  2.6526000000e-01 -1.4753840000e+00 -8.3732800000e-01
+ENERGY -1.526598625342e+02
+FORCES -5.6504000000e-03 -2.8316000000e-03 -8.0351000000e-03  3.8589000000e-03  2.8342000000e-03  8.6208000000e-03  2.5523000000e-03 -1.2074000000e-03 -7.1560000000e-04 -1.9717000000e-03 -6.2995000000e-03  1.8079000000e-03  4.4025000000e-03  2.3079000000e-03 -1.0357000000e-03 -3.1917000000e-03  5.1964000000e-03 -6.4220000000e-04
+
+JOB 30
+COORDS -4.2171300000e-01 -8.9743400000e-01  1.0138730000e+00 -4.5820000000e-03 -1.0404800000e+00  1.8634440000e+00 -1.2717410000e+00 -1.3312790000e+00  1.0877900000e+00  4.6253900000e-01  9.3874700000e-01 -1.1337340000e+00  3.6735700000e-01  9.0507000000e-02 -7.0053500000e-01  2.7904700000e-01  1.5805260000e+00 -4.4767100000e-01
+ENERGY -1.526603343970e+02
+FORCES -1.9456000000e-03 -1.9151000000e-03  2.9519000000e-03 -2.6826000000e-03  8.1060000000e-04 -3.6478000000e-03  4.1998000000e-03  1.8295000000e-03  6.0950000000e-04 -3.5711000000e-03 -4.3399000000e-03  9.2217000000e-03  2.7596000000e-03  3.6672000000e-03 -6.2950000000e-03  1.2398000000e-03 -5.2300000000e-05 -2.8404000000e-03
+
+JOB 31
+COORDS -5.6735900000e-01  1.3279760000e+00  5.5452000000e-01 -1.1556840000e+00  7.0099100000e-01  9.7522900000e-01 -1.8442900000e-01  8.4405200000e-01 -1.7720000000e-01  5.1386000000e-01 -1.2590070000e+00 -5.4265500000e-01  1.1535720000e+00 -8.1617800000e-01 -1.1002430000e+00  1.0420030000e+00 -1.7205160000e+00  1.0873200000e-01
+ENERGY -1.526572922143e+02
+FORCES  1.0840000000e-04 -1.1133000000e-02 -2.4184000000e-03  8.2150000000e-04  3.6236000000e-03  4.6430000000e-04  7.7470000000e-04  6.5898000000e-03 -6.6070000000e-04  5.5185000000e-03 -1.1171000000e-03  2.5327000000e-03 -4.7968000000e-03  4.7080000000e-04  3.5677000000e-03 -2.4264000000e-03  1.5659000000e-03 -3.4856000000e-03
+
+JOB 32
+COORDS  8.0342200000e-01 -1.0459340000e+00 -6.6837000000e-01  1.3599870000e+00 -1.7050270000e+00 -2.5356500000e-01 -8.9442000000e-02 -1.3554320000e+00 -5.1593100000e-01 -8.0235500000e-01  1.1483940000e+00  6.6366300000e-01 -1.1702220000e+00  7.4672700000e-01 -1.2346300000e-01 -3.0903000000e-02  6.1879900000e-01  8.6521300000e-01
+ENERGY -1.526556520708e+02
+FORCES -9.9510000000e-04 -5.3397000000e-03  3.9570000000e-04 -2.9175000000e-03  3.8627000000e-03 -1.1408000000e-03  3.4407000000e-03  4.4215000000e-03  7.5900000000e-05  6.2689000000e-03 -4.6945000000e-03 -5.7396000000e-03 -8.2300000000e-04 -5.0650000000e-04  3.1415000000e-03 -4.9739000000e-03  2.2565000000e-03  3.2672000000e-03
+
+JOB 33
+COORDS -7.6458900000e-01  5.4891800000e-01  1.2343490000e+00 -1.0027500000e-01  6.5725800000e-01  5.5377500000e-01 -1.5017360000e+00  1.3406600000e-01  7.8630500000e-01  7.8476700000e-01 -5.0412400000e-01 -1.1062770000e+00  1.1006600000e+00 -2.2332900000e-01 -1.9651120000e+00  2.2472700000e-01 -1.2580210000e+00 -1.2912790000e+00
+ENERGY -1.526589201571e+02
+FORCES  3.1844000000e-03 -2.8403000000e-03 -8.6378000000e-03 -4.1627000000e-03  3.2266000000e-03  6.1965000000e-03  1.5135000000e-03  5.7470000000e-04  1.8953000000e-03 -5.7570000000e-04 -3.6936000000e-03 -3.8050000000e-03 -1.9374000000e-03 -1.4283000000e-03  4.0823000000e-03  1.9780000000e-03  4.1608000000e-03  2.6870000000e-04
+
+JOB 34
+COORDS -1.2385810000e+00 -5.8255700000e-01 -7.3268000000e-01 -6.5266400000e-01 -9.7307000000e-02 -1.3135970000e+00 -6.7086600000e-01 -9.0161900000e-01 -3.1160000000e-02  1.1812690000e+00  5.4006000000e-01  6.7074600000e-01  1.2933560000e+00  1.4744950000e+00  8.4538800000e-01  9.5445900000e-01  1.6259200000e-01  1.5206330000e+00
+ENERGY -1.526561505205e+02
+FORCES  1.0212700000e-02  4.1725000000e-03  2.2606000000e-03 -4.2265000000e-03 -1.7329000000e-03 -9.9570000000e-04 -3.8131000000e-03 -2.2425000000e-03  4.2580000000e-04 -1.9745000000e-03  3.7250000000e-03  4.0297000000e-03 -6.2700000000e-05 -4.1531000000e-03 -7.7320000000e-04 -1.3580000000e-04  2.3100000000e-04 -4.9473000000e-03
+
+JOB 35
+COORDS -4.7732100000e-01 -3.7995500000e-01  1.4179820000e+00 -1.2469900000e-01 -1.9170600000e-01  5.4824000000e-01  2.4100300000e-01 -1.7712800000e-01  2.0172340000e+00  3.8462800000e-01  3.5025400000e-01 -1.3433020000e+00  4.0767900000e-01 -2.6687400000e-01 -2.0746390000e+00  9.1779800000e-01  1.0893430000e+00 -1.6360630000e+00
+ENERGY -1.526613787178e+02
+FORCES  4.7754000000e-03  2.8018000000e-03 -6.4898000000e-03 -2.6700000000e-03 -3.0991000000e-03  9.2694000000e-03 -2.0505000000e-03 -3.0610000000e-04 -2.0591000000e-03  1.5123000000e-03  8.9990000000e-04 -4.1040000000e-03  5.0380000000e-04  3.6253000000e-03  2.9195000000e-03 -2.0710000000e-03 -3.9219000000e-03  4.6400000000e-04
+
+JOB 36
+COORDS  1.0107740000e+00 -9.0546000000e-01 -7.6403100000e-01  2.9101800000e-01 -1.5339190000e+00 -7.0726200000e-01  5.8071300000e-01 -5.1541000000e-02 -8.0987400000e-01 -8.9099700000e-01  9.2638500000e-01  7.4001900000e-01 -1.0542260000e+00  5.9418800000e-01  1.6227610000e+00 -1.6547240000e+00  6.4885100000e-01  2.3412500000e-01
+ENERGY -1.526559915913e+02
+FORCES -7.0097000000e-03  4.6628000000e-03  4.3874000000e-03  2.1602000000e-03  1.3440000000e-03 -6.0540000000e-04  2.5059000000e-03 -4.3948000000e-03 -4.9431000000e-03 -2.3498000000e-03 -3.1830000000e-03  4.3926000000e-03 -5.6570000000e-04  1.6913000000e-03 -4.0719000000e-03  5.2591000000e-03 -1.2030000000e-04  8.4050000000e-04
+
+JOB 37
+COORDS -3.2445500000e-01 -6.3145000000e-02  1.5609100000e+00 -5.1669100000e-01 -4.2158100000e-01  6.9442300000e-01  1.8528700000e-01  7.2786800000e-01  1.3857160000e+00  2.5222800000e-01 -2.0355000000e-02 -1.4921350000e+00  1.1856200000e+00 -7.7185000000e-02 -1.2877290000e+00  1.0718600000e-01  9.0338700000e-01 -1.6968190000e+00
+ENERGY -1.526583145459e+02
+FORCES  1.1150000000e-03  1.5208000000e-03 -9.0209000000e-03 -4.6310000000e-04 -7.3600000000e-05  7.6446000000e-03 -7.5160000000e-04 -1.8010000000e-03  1.3802000000e-03  4.1138000000e-03  3.6198000000e-03 -2.2633000000e-03 -5.0649000000e-03  9.8360000000e-04  6.9200000000e-05  1.0508000000e-03 -4.2495000000e-03  2.1902000000e-03
+
+JOB 38
+COORDS -2.7899200000e-01 -1.1990520000e+00  8.2703500000e-01  2.9874100000e-01 -1.9612480000e+00  8.6593900000e-01 -1.0904950000e+00 -1.5323180000e+00  4.4411300000e-01  2.5734500000e-01  1.3093170000e+00 -8.4608600000e-01 -1.0082000000e-01  6.0043900000e-01 -3.1181800000e-01  1.2057990000e+00  1.2321790000e+00 -7.4256900000e-01
+ENERGY -1.526601664299e+02
+FORCES  2.5550000000e-04 -6.0907000000e-03 -5.6720000000e-04 -3.1832000000e-03  3.0476000000e-03  1.0900000000e-05  4.5198000000e-03  2.7000000000e-03  1.1653000000e-03  2.3165000000e-03 -7.3121000000e-03  6.1960000000e-03 -1.5112000000e-03  6.7590000000e-03 -5.7199000000e-03 -2.3973000000e-03  8.9630000000e-04 -1.0851000000e-03
+
+JOB 39
+COORDS -1.1752550000e+00 -7.1862800000e-01  7.3860400000e-01 -9.6577200000e-01 -7.6800200000e-01  1.6712940000e+00 -4.4190600000e-01 -2.3933900000e-01  3.5297100000e-01  1.1355930000e+00  6.9759900000e-01 -7.1337900000e-01  3.2244800000e-01  9.4765800000e-01 -1.1521240000e+00  1.7170790000e+00  4.2468400000e-01 -1.4230430000e+00
+ENERGY -1.526590845840e+02
+FORCES  7.7921000000e-03  1.9403000000e-03  1.5894000000e-03 -9.8900000000e-04 -8.2900000000e-05 -3.0512000000e-03 -9.0583000000e-03  3.2600000000e-05  3.5300000000e-05  1.9379000000e-03 -1.1740000000e-04 -6.7343000000e-03  2.9923000000e-03 -4.1401000000e-03  5.4109000000e-03 -2.6750000000e-03  2.3676000000e-03  2.7498000000e-03
+
+JOB 40
+COORDS  6.3119000000e-01  4.1671200000e-01  1.2726450000e+00  6.7423000000e-02  6.3223800000e-01  2.0155760000e+00  1.5177180000e+00  4.2594900000e-01  1.6334970000e+00 -7.1424500000e-01 -4.7372700000e-01 -1.3719560000e+00 -1.8375200000e-01  1.1884200000e-01 -1.9045640000e+00 -3.2786100000e-01 -4.2155700000e-01 -4.9776100000e-01
+ENERGY -1.526609121949e+02
+FORCES  1.8304000000e-03  1.3671000000e-03  5.0800000000e-03  3.2584000000e-03 -1.1249000000e-03 -3.0889000000e-03 -4.2192000000e-03  6.2860000000e-04 -9.4040000000e-04  5.6985000000e-03  4.1586000000e-03  5.1697000000e-03 -1.8203000000e-03 -2.1402000000e-03  6.8570000000e-04 -4.7477000000e-03 -2.8891000000e-03 -6.9062000000e-03
+
+JOB 41
+COORDS -6.8092500000e-01  1.2428900000e+00  5.5398700000e-01 -1.1211530000e+00  2.0403930000e+00  2.6001300000e-01 -3.2039400000e-01  1.4698320000e+00  1.4111600000e+00  6.9319500000e-01 -1.3814660000e+00 -5.8149400000e-01  1.1744840000e+00 -8.1488800000e-01 -1.1844710000e+00  1.0714700000e-01 -7.8853500000e-01 -1.1116200000e-01
+ENERGY -1.526602136160e+02
+FORCES -1.4206000000e-03  5.4440000000e-03  1.9115000000e-03  2.4016000000e-03 -2.8234000000e-03  2.0923000000e-03 -1.7583000000e-03 -9.9830000000e-04 -4.2123000000e-03 -2.5244000000e-03  8.1068000000e-03  1.5940000000e-04 -6.8160000000e-04 -2.7213000000e-03  1.2840000000e-03  3.9833000000e-03 -7.0078000000e-03 -1.2350000000e-03
+
+JOB 42
+COORDS -2.9689400000e-01 -9.2087200000e-01  1.3396380000e+00  3.6093000000e-01 -3.1680100000e-01  1.6840180000e+00 -3.7506900000e-01 -6.8852200000e-01  4.1436200000e-01  2.7067700000e-01  8.1676200000e-01 -1.3201490000e+00 -4.5764800000e-01  1.4005510000e+00 -1.5322000000e+00  8.6482800000e-01  1.3546290000e+00 -7.9677900000e-01
+ENERGY -1.526585725793e+02
+FORCES  2.9845000000e-03  4.3971000000e-03 -5.9721000000e-03 -1.9692000000e-03 -1.5421000000e-03 -5.6080000000e-04 -1.6133000000e-03 -3.3807000000e-03  7.3895000000e-03  3.3440000000e-04  6.8229000000e-03 -1.1425000000e-03  3.5195000000e-03 -3.0030000000e-03  1.4843000000e-03 -3.2560000000e-03 -3.2942000000e-03 -1.1983000000e-03
+
+JOB 43
+COORDS  4.4404500000e-01  1.4368360000e+00  6.3707900000e-01 -5.0574100000e-01  1.5004660000e+00  5.3663800000e-01  7.5847900000e-01  1.1610330000e+00 -2.2390600000e-01 -3.8886500000e-01 -1.4514080000e+00 -6.3934500000e-01 -1.2825670000e+00 -1.2343010000e+00 -3.7402500000e-01  1.5176700000e-01 -1.1985370000e+00  1.0899000000e-01
+ENERGY -1.526570424351e+02
+FORCES -2.9534000000e-03  7.4990000000e-04 -6.1978000000e-03  3.4830000000e-03 -1.2123000000e-03  1.3976000000e-03 -5.0980000000e-04  7.7210000000e-04  5.4005000000e-03 -1.3328000000e-03  1.2200000000e-03  6.3183000000e-03  3.4284000000e-03  1.3750000000e-04 -1.6111000000e-03 -2.1154000000e-03 -1.6672000000e-03 -5.3076000000e-03
+
+JOB 44
+COORDS -9.6474200000e-01  6.7191600000e-01  1.1384450000e+00 -1.0703030000e+00 -1.0038500000e-01  1.6939990000e+00 -1.5194200000e-01  5.1302000000e-01  6.5850700000e-01  9.1725400000e-01 -5.9454200000e-01 -1.0725860000e+00  1.1661550000e+00 -6.7687000000e-02 -1.8319960000e+00  7.6465300000e-01 -1.4702540000e+00 -1.4276510000e+00
+ENERGY -1.526594060368e+02
+FORCES  4.9636000000e-03 -5.5625000000e-03 -2.9982000000e-03 -1.7940000000e-04  2.5121000000e-03 -1.5083000000e-03 -4.3825000000e-03  4.2992000000e-03  5.7263000000e-03 -6.8190000000e-04 -2.4120000000e-03 -5.5542000000e-03 -1.0216000000e-03 -2.5781000000e-03  3.3641000000e-03  1.3019000000e-03  3.7413000000e-03  9.7030000000e-04
+
+JOB 45
+COORDS  1.2561610000e+00  6.0039600000e-01 -8.5587600000e-01  2.1363980000e+00  2.2474200000e-01 -8.7318100000e-01  7.6127600000e-01  2.5397000000e-02 -2.7218400000e-01 -1.2146100000e+00 -5.3983700000e-01  8.0572000000e-01 -1.8355330000e+00  1.4723600000e-01  1.0478260000e+00 -1.6885600000e+00 -1.3569700000e+00  9.6031000000e-01
+ENERGY -1.526600832919e+02
+FORCES -1.5525000000e-03 -4.3774000000e-03  3.5733000000e-03 -3.3017000000e-03  9.1200000000e-04  2.2910000000e-04  7.2660000000e-03  3.5176000000e-03 -4.5704000000e-03 -6.0300000000e-03  1.0410000000e-04  1.5803000000e-03  1.9827000000e-03 -3.8966000000e-03 -4.9500000000e-04  1.6355000000e-03  3.7402000000e-03 -3.1720000000e-04
+
+JOB 46
+COORDS  5.2621800000e-01  1.4173630000e+00  4.4522700000e-01  2.7867800000e-01  2.3302370000e+00  5.9225200000e-01  1.1669560000e+00  1.2290280000e+00  1.1309510000e+00 -5.3734800000e-01 -1.4958090000e+00 -5.4068700000e-01 -9.3302100000e-01 -1.6735280000e+00  3.1259500000e-01 -2.6833800000e-01 -5.7837000000e-01 -4.9407800000e-01
+ENERGY -1.526600899288e+02
+FORCES  2.2153000000e-03  4.8506000000e-03  3.4937000000e-03  1.7251000000e-03 -3.9152000000e-03  1.2860000000e-04 -3.4086000000e-03  1.0836000000e-03 -2.8213000000e-03  3.1700000000e-05  6.2622000000e-03  3.9355000000e-03  1.3833000000e-03 -2.2730000000e-04 -2.6963000000e-03 -1.9468000000e-03 -8.0539000000e-03 -2.0402000000e-03
+
+JOB 47
+COORDS -1.4111730000e+00  7.4840300000e-01  5.9609000000e-02 -2.2347860000e+00  4.8634800000e-01  4.7097400000e-01 -1.0529510000e+00  1.4165200000e+00  6.4401300000e-01  1.4319090000e+00 -8.3047700000e-01 -1.6210200000e-01  2.2204000000e+00 -5.3107100000e-01  2.9052300000e-01  7.5026900000e-01 -2.1687900000e-01  1.1193400000e-01
+ENERGY -1.526572377285e+02
+FORCES -6.1622000000e-03  1.6724000000e-03  3.3151000000e-03  3.5363000000e-03  2.1567000000e-03 -1.7892000000e-03  7.3080000000e-04 -4.9690000000e-03 -2.7113000000e-03 -2.8254000000e-03  3.5892000000e-03  1.6008000000e-03 -3.5748000000e-03 -5.2080000000e-04 -1.3865000000e-03  8.2953000000e-03 -1.9286000000e-03  9.7100000000e-04
+
+JOB 48
+COORDS -4.4091700000e-01  1.4236740000e+00 -8.0918900000e-01 -1.1003400000e-01  5.4694000000e-01 -6.1403400000e-01 -3.9639700000e-01  1.8884850000e+00  2.6395000000e-02  4.5867000000e-01 -1.3613530000e+00  7.3500300000e-01  2.8060300000e-01 -1.6948330000e+00  1.6143860000e+00 -1.4742700000e-01 -1.8400170000e+00  1.6953100000e-01
+ENERGY -1.526585614092e+02
+FORCES  3.3978000000e-03 -3.4654000000e-03  6.5607000000e-03 -3.5436000000e-03  4.0167000000e-03 -5.0251000000e-03 -8.0600000000e-04 -3.7420000000e-04 -3.2039000000e-03 -2.6566000000e-03 -5.2539000000e-03  3.6752000000e-03  7.7300000000e-04  9.1180000000e-04 -4.0435000000e-03  2.8353000000e-03  4.1650000000e-03  2.0365000000e-03
+
+JOB 49
+COORDS  2.2489000000e-02  1.4875260000e+00 -9.1493300000e-01  8.8097000000e-02  5.6930300000e-01 -1.1772170000e+00 -5.2223800000e-01  1.4739870000e+00 -1.2796300000e-01  4.4731000000e-02 -1.4352850000e+00  8.3285000000e-01  1.3767200000e-01 -8.8989200000e-01  1.6139650000e+00 -7.4819600000e-01 -1.9476620000e+00  9.9086300000e-01
+ENERGY -1.526570227282e+02
+FORCES -1.6184000000e-03 -6.7644000000e-03  2.8216000000e-03 -3.8320000000e-04  5.7100000000e-03 -1.5019000000e-03  1.7144000000e-03  1.6141000000e-03 -1.9922000000e-03 -1.6531000000e-03 -1.5918000000e-03  5.5165000000e-03 -1.4225000000e-03 -1.8908000000e-03 -3.9169000000e-03  3.3628000000e-03  2.9229000000e-03 -9.2710000000e-04
+
+JOB 50
+COORDS  4.4450500000e-01 -7.6535000000e-02  1.6723890000e+00 -3.3599700000e-01 -3.0430400000e-01  2.1775320000e+00  5.0366600000e-01 -7.5729400000e-01  1.0020910000e+00 -4.0709300000e-01  1.8274000000e-01 -1.6316470000e+00  3.2053900000e-01 -1.8946200000e-01 -2.1298930000e+00 -1.1069540000e+00 -4.6576900000e-01 -1.7082140000e+00
+ENERGY -1.526533404543e+02
+FORCES -3.8166000000e-03 -2.3932000000e-03 -3.4824000000e-03  2.9879000000e-03  6.7090000000e-04 -1.8193000000e-03  8.2160000000e-04  5.9880000000e-04  4.4593000000e-03 -3.2860000000e-04 -2.2835000000e-03 -3.6904000000e-03 -3.1220000000e-03  1.0597000000e-03  3.1051000000e-03  3.4577000000e-03  2.3474000000e-03  1.4278000000e-03
+
+JOB 51
+COORDS -1.3497720000e+00 -1.1496530000e+00  4.6441100000e-01 -6.5884700000e-01 -5.2543300000e-01  2.4259000000e-01 -1.7721180000e+00 -7.7542400000e-01  1.2375910000e+00  1.3265950000e+00  1.0265140000e+00 -4.7082700000e-01  6.5514800000e-01  1.6354420000e+00 -7.7839400000e-01  2.1450010000e+00  1.5186000000e+00 -5.3636000000e-01
+ENERGY -1.526573136548e+02
+FORCES  3.3528000000e-03  3.7470000000e-03  2.2627000000e-03 -6.7657000000e-03 -2.6225000000e-03  8.2630000000e-04  1.2946000000e-03 -1.2342000000e-03 -3.0774000000e-03  3.7227000000e-03  5.2518000000e-03 -2.3243000000e-03  2.1500000000e-03 -3.7182000000e-03  2.4347000000e-03 -3.7543000000e-03 -1.4239000000e-03 -1.2200000000e-04
+
+JOB 52
+COORDS -1.2920950000e+00 -1.2131190000e+00  5.1563900000e-01 -1.0841540000e+00 -5.5060200000e-01 -1.4319600000e-01 -6.9382300000e-01 -1.9359250000e+00  3.2628800000e-01  1.1861410000e+00  1.1875970000e+00 -4.8478500000e-01  1.5580020000e+00  1.1156650000e+00  3.9429200000e-01  1.8102950000e+00  1.7311350000e+00 -9.6564900000e-01
+ENERGY -1.526577894743e+02
+FORCES  3.9498000000e-03  9.9520000000e-04 -4.6505000000e-03 -2.9802000000e-03 -4.3556000000e-03  3.4187000000e-03 -2.3698000000e-03  2.2407000000e-03  1.2884000000e-03  4.8197000000e-03  3.0614000000e-03  1.9175000000e-03 -1.0722000000e-03  3.8210000000e-04 -4.3110000000e-03 -2.3472000000e-03 -2.3238000000e-03  2.3369000000e-03
+
+JOB 53
+COORDS  1.2459830000e+00  1.1939250000e+00  6.5048800000e-01  6.7145900000e-01  5.0934400000e-01  3.0770000000e-01  6.7651400000e-01  1.7320790000e+00  1.2003300000e+00 -1.1920790000e+00 -1.1509280000e+00 -7.1762800000e-01 -6.0668300000e-01 -1.8889890000e+00 -5.4789600000e-01 -1.6928130000e+00 -1.0506620000e+00  9.1967000000e-02
+ENERGY -1.526569490539e+02
+FORCES -5.6211000000e-03 -7.2390000000e-04 -1.1695000000e-03  4.7277000000e-03  3.4178000000e-03  4.4027000000e-03  2.1087000000e-03 -2.2698000000e-03 -1.7029000000e-03 -2.5993000000e-03 -5.7057000000e-03  2.0546000000e-03 -2.2135000000e-03  4.6269000000e-03 -2.1090000000e-04  3.5975000000e-03  6.5460000000e-04 -3.3739000000e-03
+
+JOB 54
+COORDS  1.0878400000e+00 -9.6467400000e-01  9.5092600000e-01  1.5129050000e+00 -1.6704240000e+00  4.6361900000e-01  1.4707330000e+00 -1.0133830000e+00  1.8268560000e+00 -1.1396250000e+00  1.0540820000e+00 -9.1272800000e-01 -1.7979860000e+00  9.4640000000e-01 -1.5991670000e+00 -4.2550100000e-01  4.7164600000e-01 -1.1716260000e+00
+ENERGY -1.526546501642e+02
+FORCES  3.3060000000e-03 -2.7856000000e-03  3.8413000000e-03 -2.2735000000e-03  3.5058000000e-03  1.1378000000e-03 -1.3053000000e-03 -3.5650000000e-04 -3.7710000000e-03  1.5175000000e-03 -3.7591000000e-03 -2.2534000000e-03  2.6247000000e-03  2.9010000000e-04  2.7840000000e-03 -3.8694000000e-03  3.1054000000e-03 -1.7387000000e-03
+
+JOB 55
+COORDS -1.0363150000e+00  9.6258400000e-01  1.2489570000e+00 -9.6279100000e-01  9.3829500000e-01  2.9489400000e-01 -1.3438500000e-01  1.0513280000e+00  1.5569810000e+00  9.9457100000e-01 -9.5470200000e-01 -1.1377480000e+00  1.6400290000e+00 -9.9251000000e-01 -1.8435700000e+00  1.5427100000e-01 -1.0984530000e+00 -1.5730240000e+00
+ENERGY -1.526558748749e+02
+FORCES  6.0042000000e-03 -8.3750000000e-04 -3.1649000000e-03 -2.4364000000e-03  5.1560000000e-04  3.2834000000e-03 -4.1085000000e-03  7.5200000000e-04  8.6000000000e-06 -3.5000000000e-05 -2.6371000000e-03 -5.2729000000e-03 -2.8873000000e-03  1.8950000000e-04  3.1179000000e-03  3.4629000000e-03  2.0175000000e-03  2.0278000000e-03
+
+JOB 56
+COORDS -3.2593700000e-01 -1.7495860000e+00 -6.6230800000e-01  5.8520000000e-03 -1.0292930000e+00 -1.1983360000e+00 -2.1113200000e-01 -1.4502120000e+00  2.3959300000e-01  3.4429200000e-01  1.6488420000e+00  6.6439200000e-01  6.2344600000e-01  2.5228130000e+00  3.9148400000e-01 -6.1069700000e-01  1.6720670000e+00  6.0365800000e-01
+ENERGY -1.526569164009e+02
+FORCES  3.6223000000e-03  5.1136000000e-03  2.1409000000e-03 -2.3326000000e-03 -3.7008000000e-03  7.7210000000e-04 -2.0053000000e-03 -2.3931000000e-03 -3.4383000000e-03 -2.3606000000e-03  5.6012000000e-03 -4.6500000000e-04 -1.4770000000e-03 -3.7277000000e-03  1.0131000000e-03  4.5532000000e-03 -8.9320000000e-04 -2.2800000000e-05
+
+JOB 57
+COORDS -1.4638890000e+00  7.0376500000e-01 -8.1708800000e-01 -1.0203990000e+00  8.5200000000e-02 -1.3975410000e+00 -2.3962460000e+00  5.4718300000e-01 -9.6683100000e-01  1.4926410000e+00 -6.3093300000e-01  8.0332400000e-01  9.4145300000e-01 -4.1327000000e-01  1.5550200000e+00  2.1036080000e+00 -1.2883650000e+00  1.1360920000e+00
+ENERGY -1.526554965073e+02
+FORCES -6.3570000000e-04 -3.5436000000e-03 -3.5356000000e-03 -3.4814000000e-03  2.9112000000e-03  1.4965000000e-03  3.7825000000e-03  5.5030000000e-04  8.7570000000e-04 -4.0220000000e-04 -7.1320000000e-04  5.0658000000e-03  3.3949000000e-03 -1.8023000000e-03 -2.3761000000e-03 -2.6581000000e-03  2.5975000000e-03 -1.5263000000e-03
+
+JOB 58
+COORDS  8.1114800000e-01  1.5776450000e+00 -8.3376300000e-01  9.9324900000e-01  7.6604900000e-01 -1.3074540000e+00  1.0192300000e+00  1.3750370000e+00  7.8314000000e-02 -8.3143700000e-01 -1.5327860000e+00  7.3679800000e-01 -1.6853600000e-01 -1.1082020000e+00  1.2813370000e+00 -1.5496740000e+00 -1.7254280000e+00  1.3395050000e+00
+ENERGY -1.526536482687e+02
+FORCES  4.3020000000e-04 -5.0553000000e-03  1.1458000000e-03  3.1250000000e-04  4.0591000000e-03  1.9512000000e-03 -5.8470000000e-04  5.9960000000e-04 -2.8289000000e-03 -1.5873000000e-03  8.0390000000e-04  5.0342000000e-03 -1.7639000000e-03 -1.0948000000e-03 -2.8823000000e-03  3.1932000000e-03  6.8750000000e-04 -2.4200000000e-03
+
+JOB 59
+COORDS -1.2996450000e+00 -1.5173780000e+00 -1.0097000000e-01 -1.7455280000e+00 -7.5884500000e-01 -4.7786300000e-01 -6.0857200000e-01 -1.1426500000e+00  4.4513300000e-01  1.3164660000e+00  1.4452940000e+00  3.0857000000e-02  7.3866400000e-01  2.1646950000e+00  2.8549300000e-01  1.3346240000e+00  8.6988500000e-01  7.9558300000e-01
+ENERGY -1.526537082150e+02
+FORCES  1.8203000000e-03  5.3519000000e-03 -7.7330000000e-04  9.4080000000e-04 -3.3634000000e-03  2.0412000000e-03 -2.6753000000e-03 -1.7714000000e-03 -5.2090000000e-04 -4.8930000000e-04  2.1085000000e-03  4.2694000000e-03  2.0536000000e-03 -3.7239000000e-03 -1.2606000000e-03 -1.6501000000e-03  1.3983000000e-03 -3.7558000000e-03
+
+JOB 60
+COORDS  6.5755300000e-01  3.7781000000e-01 -1.7873180000e+00  1.2673690000e+00  4.2468000000e-02 -2.4445110000e+00  9.8619400000e-01  3.3187000000e-02 -9.5697900000e-01 -6.4204400000e-01 -3.3179900000e-01  1.7648910000e+00 -1.0994690000e+00 -1.9421600000e-01  2.5943880000e+00 -1.3325130000e+00 -5.7217000000e-01  1.1470670000e+00
+ENERGY -1.526565280993e+02
+FORCES  4.2974000000e-03 -2.3095000000e-03  1.6053000000e-03 -2.4246000000e-03  1.3186000000e-03  2.5956000000e-03 -1.2865000000e-03  1.0013000000e-03 -5.3637000000e-03 -5.4813000000e-03  1.7210000000e-04  1.4445000000e-03  1.5885000000e-03 -7.5690000000e-04 -3.3733000000e-03  3.3064000000e-03  5.7440000000e-04  3.0916000000e-03
+
+JOB 61
+COORDS  1.7424550000e+00 -5.4672000000e-01  7.9173900000e-01  9.8662700000e-01 -4.3075900000e-01  1.3675070000e+00  1.4939130000e+00 -1.2662140000e+00  2.1140600000e-01 -1.7421510000e+00  6.1899800000e-01 -7.6593600000e-01 -8.9184900000e-01  9.5299200000e-01 -1.0517090000e+00 -1.6819560000e+00 -3.2821300000e-01 -8.9003300000e-01
+ENERGY -1.526549959129e+02
+FORCES -3.6836000000e-03 -2.8181000000e-03  1.4952000000e-03  3.6869000000e-03 -8.1360000000e-04 -2.9345000000e-03  4.8010000000e-04  3.4728000000e-03  1.7156000000e-03  3.7807000000e-03 -1.6102000000e-03 -2.6952000000e-03 -4.3989000000e-03 -1.7501000000e-03  1.1865000000e-03  1.3470000000e-04  3.5192000000e-03  1.2325000000e-03
+
+JOB 62
+COORDS  1.2775660000e+00 -3.2995400000e-01  1.5869280000e+00  1.0416000000e+00 -1.2107140000e+00  1.2956990000e+00  1.7556510000e+00  4.7008000000e-02  8.4830300000e-01 -1.2571960000e+00  4.2056600000e-01 -1.5204870000e+00 -2.1790580000e+00  2.0454800000e-01 -1.3799900000e+00 -8.6780300000e-01 -3.9042300000e-01 -1.8474460000e+00
+ENERGY -1.526535717197e+02
+FORCES  7.1100000000e-05 -9.8010000000e-04 -4.9252000000e-03  1.0909000000e-03  3.0421000000e-03  1.1621000000e-03 -1.0674000000e-03 -2.1900000000e-03  3.2909000000e-03 -3.0158000000e-03 -3.7878000000e-03 -3.0920000000e-04  3.8365000000e-03  7.2910000000e-04 -9.1350000000e-04 -9.1540000000e-04  3.1867000000e-03  1.6950000000e-03
+
+JOB 63
+COORDS  1.4000990000e+00 -1.4289910000e+00  7.9279400000e-01  9.1491800000e-01 -1.5712800000e+00 -1.9970000000e-02  1.0098860000e+00 -6.4069600000e-01  1.1703620000e+00 -1.3215390000e+00  1.3424550000e+00 -7.1986300000e-01 -2.2401200000e+00  1.5251500000e+00 -9.1750800000e-01 -8.3148800000e-01  1.9518680000e+00 -1.2718580000e+00
+ENERGY -1.526565268768e+02
+FORCES -4.8228000000e-03  3.3944000000e-03 -2.0511000000e-03  2.8059000000e-03 -4.4500000000e-04  3.0160000000e-03  2.7485000000e-03 -3.5520000000e-03 -6.4560000000e-04 -2.6047000000e-03  3.9718000000e-03 -3.3469000000e-03  3.9342000000e-03 -6.3280000000e-04  6.5100000000e-04 -2.0611000000e-03 -2.7364000000e-03  2.3767000000e-03
+
+JOB 64
+COORDS -8.4782200000e-01  1.5301780000e+00  1.2950520000e+00 -1.4614950000e+00  8.6230400000e-01  1.6009650000e+00 -2.1364400000e-01  1.6173800000e+00  2.0067020000e+00  7.8944400000e-01 -1.4886010000e+00 -1.3099810000e+00  7.2486800000e-01 -1.8130150000e+00 -2.2082110000e+00  1.7243040000e+00 -1.3305060000e+00 -1.1785460000e+00
+ENERGY -1.526536082402e+02
+FORCES  1.5300000000e-04 -3.4609000000e-03  3.4340000000e-03  2.1291000000e-03  3.2548000000e-03 -6.5530000000e-04 -2.3915000000e-03 -1.1410000000e-04 -2.7880000000e-03  3.5294000000e-03  2.0790000000e-04 -3.2540000000e-03  2.1890000000e-04  1.1679000000e-03  3.7121000000e-03 -3.6389000000e-03 -1.0557000000e-03 -4.4870000000e-04
+
+JOB 65
+COORDS -2.4666400000e-01  1.2192210000e+00  1.7227890000e+00 -2.7413100000e-01  9.3222400000e-01  2.6355370000e+00 -4.6848800000e-01  2.1497340000e+00  1.7570220000e+00  2.9660500000e-01 -1.3178690000e+00 -1.7833030000e+00 -6.2782900000e-01 -1.1467190000e+00 -1.9631960000e+00  6.4635400000e-01 -4.7311300000e-01 -1.4999370000e+00
+ENERGY -1.526553501990e+02
+FORCES -9.9990000000e-04  2.2565000000e-03  4.8207000000e-03  7.9000000000e-06  1.5658000000e-03 -3.6962000000e-03  9.2080000000e-04 -3.9077000000e-03 -4.5840000000e-04 -2.5020000000e-03  4.7275000000e-03  1.9001000000e-03  3.5114000000e-03 -9.6950000000e-04  4.0900000000e-05 -9.3820000000e-04 -3.6727000000e-03 -2.6073000000e-03
+
+JOB 66
+COORDS -9.8096200000e-01  1.7171870000e+00  1.0946830000e+00 -1.4616680000e+00  1.3945190000e+00  1.8569420000e+00 -3.0949400000e-01  1.0537420000e+00  9.3593100000e-01  9.3090800000e-01 -1.6904040000e+00 -1.1782820000e+00  1.4227000000e+00 -8.6933700000e-01 -1.1931710000e+00  1.0844500000e+00 -2.0462760000e+00 -3.0306100000e-01
+ENERGY -1.526535896429e+02
+FORCES  3.5100000000e-05 -4.4105000000e-03  2.1260000000e-03  2.1553000000e-03  1.3992000000e-03 -3.0071000000e-03 -1.8312000000e-03  3.0521000000e-03  9.9160000000e-04  3.2943000000e-03  1.0725000000e-03  2.2847000000e-03 -2.5843000000e-03 -3.3245000000e-03  9.4960000000e-04 -1.0691000000e-03  2.2112000000e-03 -3.3448000000e-03
+
+JOB 67
+COORDS  1.6653500000e+00 -2.8898100000e-01 -1.3791680000e+00  1.9497170000e+00 -1.1374300000e+00 -1.7190250000e+00  2.4092190000e+00  2.5199000000e-02 -8.6518300000e-01 -1.7420250000e+00  2.7314600000e-01  1.4064590000e+00 -1.9464590000e+00  3.6927500000e-01  4.7629900000e-01 -1.3535960000e+00  1.1120190000e+00  1.6547470000e+00
+ENERGY -1.526546922303e+02
+FORCES  4.2856000000e-03 -2.7656000000e-03  1.1476000000e-03 -1.0538000000e-03  3.5751000000e-03  1.1871000000e-03 -2.9796000000e-03 -1.0160000000e-03 -2.2522000000e-03  1.6512000000e-03  3.5302000000e-03 -3.7834000000e-03 -2.0410000000e-04 -1.7810000000e-04  4.2006000000e-03 -1.6994000000e-03 -3.1456000000e-03 -4.9990000000e-04
+
+JOB 68
+COORDS -4.3332900000e-01 -7.7213100000e-01 -2.1177220000e+00 -9.5997700000e-01  1.6918000000e-02 -1.9901480000e+00  4.4651000000e-01 -5.2155300000e-01 -1.8360740000e+00  4.2259400000e-01  7.3693700000e-01  2.0356630000e+00  8.0858900000e-01 -4.9304000000e-02  2.4217530000e+00 -1.7639600000e-01  1.0645040000e+00  2.7065890000e+00
+ENERGY -1.526552758043e+02
+FORCES  1.5535000000e-03  4.8045000000e-03  2.7951000000e-03  1.6781000000e-03 -3.2377000000e-03 -1.2945000000e-03 -3.2192000000e-03 -1.5417000000e-03 -1.9334000000e-03 -1.0995000000e-03 -2.1558000000e-03  4.7928000000e-03 -1.3964000000e-03  3.4104000000e-03 -1.6042000000e-03  2.4835000000e-03 -1.2797000000e-03 -2.7558000000e-03
+
+JOB 69
+COORDS  6.1839200000e-01  1.3017060000e+00 -1.8031210000e+00  7.6856600000e-01  3.6188300000e-01 -1.7010820000e+00  7.1283400000e-01  1.4592260000e+00 -2.7425360000e+00 -6.1093100000e-01 -1.2246520000e+00  1.7966240000e+00 -1.4710440000e+00 -1.2660240000e+00  2.2146250000e+00 -5.9828000000e-02 -1.8030930000e+00  2.3238100000e+00
+ENERGY -1.526543140228e+02
+FORCES  6.8620000000e-04 -3.7773000000e-03 -2.5630000000e-03 -4.8500000000e-05  4.1502000000e-03 -1.4679000000e-03 -4.0600000000e-04 -5.5510000000e-04  3.7647000000e-03 -1.6234000000e-03 -1.9766000000e-03  4.2815000000e-03  3.5902000000e-03 -1.0910000000e-04 -1.6221000000e-03 -2.1985000000e-03  2.2680000000e-03 -2.3933000000e-03
+
+JOB 70
+COORDS -6.5814500000e-01  2.1945750000e+00  5.8894400000e-01 -2.0124100000e-01  2.2339660000e+00 -2.5124600000e-01 -1.5845530000e+00  2.2762770000e+00  3.6239400000e-01  6.5049500000e-01 -2.2290890000e+00 -5.8267300000e-01  3.3981300000e-01 -2.0500130000e+00  3.0481800000e-01  1.5556250000e+00 -1.9177240000e+00 -5.8748100000e-01
+ENERGY -1.526550507920e+02
+FORCES -2.2301000000e-03  6.1220000000e-04 -4.7651000000e-03 -1.6350000000e-03 -1.1600000000e-05  3.6713000000e-03  3.7883000000e-03 -2.3840000000e-04  1.0710000000e-03  2.3134000000e-03  2.1563000000e-03  4.1675000000e-03  1.3471000000e-03 -1.2902000000e-03 -3.8449000000e-03 -3.5837000000e-03 -1.2283000000e-03 -2.9990000000e-04
+
+JOB 71
+COORDS -2.3011100000e+00 -5.8827900000e-01  1.1613170000e+00 -2.3781140000e+00 -1.3274100000e-01  1.9996410000e+00 -2.9640350000e+00 -1.7994300000e-01  6.0452000000e-01  2.3193310000e+00  6.0376000000e-01 -1.2220760000e+00  2.1948560000e+00 -3.4255900000e-01 -1.2943150000e+00  2.6546990000e+00  7.3469000000e-01 -3.3516200000e-01
+ENERGY -1.526544350840e+02
+FORCES -3.0963000000e-03  3.8249000000e-03  8.7440000000e-04  3.9600000000e-04 -1.9378000000e-03 -3.3233000000e-03  2.5601000000e-03 -1.8010000000e-03  2.4210000000e-03  2.4050000000e-04 -3.6312000000e-03  3.6070000000e-03  9.5290000000e-04  3.8720000000e-03  2.3500000000e-05 -1.0533000000e-03 -3.2680000000e-04 -3.6025000000e-03
+
+JOB 72
+COORDS  2.1644980000e+00  1.6870160000e+00  5.1305100000e-01  1.6545750000e+00  9.6812200000e-01  8.8641600000e-01  2.7374080000e+00  1.9702680000e+00  1.2256340000e+00 -2.1732760000e+00 -1.6874790000e+00 -6.2993400000e-01 -2.6487390000e+00 -1.9079560000e+00  1.7103900000e-01 -1.5558020000e+00 -1.0066080000e+00 -3.6277600000e-01
+ENERGY -1.526535880760e+02
+FORCES  8.6030000000e-04 -1.6201000000e-03  4.5180000000e-03  1.4217000000e-03  2.8356000000e-03 -1.7139000000e-03 -2.4558000000e-03 -1.1942000000e-03 -2.9522000000e-03  3.0930000000e-04  2.0330000000e-03  4.0044000000e-03  2.1249000000e-03  9.2020000000e-04 -3.2217000000e-03 -2.2604000000e-03 -2.9744000000e-03 -6.3460000000e-04
+
+JOB 73
+COORDS -7.7100000000e-03  1.5610070000e+00 -2.3873970000e+00  9.0328400000e-01  1.8032840000e+00 -2.2211940000e+00 -3.4455600000e-01  1.2929510000e+00 -1.5324620000e+00 -5.5884000000e-02 -1.6087740000e+00  2.3055240000e+00  7.7079000000e-01 -1.6184790000e+00  2.7879630000e+00 -2.8770700000e-01 -6.8202900000e-01  2.2452480000e+00
+ENERGY -1.526536831856e+02
+FORCES  2.3481000000e-03 -5.0980000000e-04  3.9466000000e-03 -3.7626000000e-03 -8.7100000000e-04 -5.4950000000e-04  1.4023000000e-03  1.4610000000e-03 -3.2138000000e-03  2.3856000000e-03  3.3407000000e-03  2.2704000000e-03 -3.4363000000e-03  1.7080000000e-04 -2.1263000000e-03  1.0629000000e-03 -3.5917000000e-03 -3.2740000000e-04
+
+JOB 74
+COORDS -1.1575840000e+00  2.3767340000e+00  1.1696580000e+00 -1.3703510000e+00  1.9490020000e+00  1.9991200000e+00 -1.1281110000e+00  1.6631820000e+00  5.3231400000e-01  1.1717930000e+00 -2.3331000000e+00 -1.2404510000e+00  1.0304340000e+00 -1.4637560000e+00 -8.6563100000e-01  1.2355350000e+00 -2.9138760000e+00 -4.8225100000e-01
+ENERGY -1.526535908657e+02
+FORCES -1.3038000000e-03 -4.2708000000e-03  8.2130000000e-04  1.0909000000e-03  1.6158000000e-03 -3.5266000000e-03  4.2840000000e-04  2.6069000000e-03  2.7140000000e-03  2.3790000000e-04  9.6060000000e-04  4.5114000000e-03 -1.1000000000e-05 -3.4322000000e-03 -1.4145000000e-03 -4.4240000000e-04  2.5197000000e-03 -3.1056000000e-03
+
+JOB 75
+COORDS  1.1397100000e-01 -1.2472900000e-01 -2.9113120000e+00 -7.7166900000e-01  2.3835900000e-01 -2.9177070000e+00  6.8560600000e-01  6.3497100000e-01 -3.0223130000e+00 -1.2495100000e-01  8.9718000000e-02  2.8659730000e+00  7.0487800000e-01  3.1421100000e-01  3.2869450000e+00 -4.4920800000e-01 -6.6278900000e-01  3.3607680000e+00
+ENERGY -1.526539954832e+02
+FORCES -1.4001000000e-03  4.6868000000e-03  1.8310000000e-04  3.5615000000e-03 -1.5080000000e-03 -3.5120000000e-04 -2.2073000000e-03 -3.0886000000e-03  1.9370000000e-04  2.1927000000e-03 -2.4645000000e-03  3.4996000000e-03 -3.4054000000e-03 -7.8600000000e-04 -1.6410000000e-03  1.2585000000e-03  3.1602000000e-03 -1.8841000000e-03
+
+JOB 76
+COORDS  8.9037900000e-01  2.8466670000e+00 -1.6611670000e+00  1.2747540000e+00  3.6782880000e+00 -1.9384650000e+00 -1.7919000000e-02  2.8906150000e+00 -1.9599870000e+00 -8.1599300000e-01 -2.9140660000e+00  1.6529240000e+00 -1.7543010000e+00 -3.0818540000e+00  1.5654210000e+00 -7.3155800000e-01 -2.4521580000e+00  2.4870370000e+00
+ENERGY -1.526538436563e+02
+FORCES -2.1312000000e-03  3.3900000000e-03 -2.4219000000e-03 -1.5687000000e-03 -3.3762000000e-03  1.1687000000e-03  3.6780000000e-03 -6.6600000000e-05  1.2469000000e-03 -3.3119000000e-03  1.4143000000e-03  2.9983000000e-03  3.7759000000e-03  6.4980000000e-04  3.3620000000e-04 -4.4200000000e-04 -2.0113000000e-03 -3.3282000000e-03
+
+JOB 77
+COORDS -8.9730900000e-01  2.6552520000e+00  2.6159220000e+00 -1.2853360000e+00  1.9443470000e+00  3.1260990000e+00 -1.1804500000e-01  2.2673360000e+00  2.2178010000e+00  8.6850300000e-01 -2.6533650000e+00 -2.5816180000e+00  9.7254200000e-01 -2.5858200000e+00 -3.5307470000e+00  8.7317100000e-01 -1.7467640000e+00 -2.2745600000e+00
+ENERGY -1.526540800071e+02
+FORCES  1.5541000000e-03 -4.5037000000e-03  6.5400000000e-04  1.6062000000e-03  2.9362000000e-03 -2.1356000000e-03 -3.1712000000e-03  1.5879000000e-03  1.4516000000e-03  4.0130000000e-04  3.9282000000e-03 -2.8238000000e-03 -4.0560000000e-04 -2.7020000000e-04  3.9145000000e-03  1.5100000000e-05 -3.6783000000e-03 -1.0607000000e-03
+
+JOB 78
+COORDS  1.9321760000e+00  1.7753400000e-01 -3.3564550000e+00  1.3906320000e+00  3.3220100000e-01 -2.5824780000e+00  2.7630010000e+00 -1.4519100000e-01 -3.0074420000e+00 -1.9091910000e+00 -2.1961100000e-01  3.3331880000e+00 -2.7108400000e+00  2.2967400000e-01  3.6010210000e+00 -1.6858740000e+00  1.7115900000e-01  2.4884040000e+00
+ENERGY -1.526539683871e+02
+FORCES  1.3148000000e-03 -7.9830000000e-04  4.5410000000e-03  2.0776000000e-03 -5.4600000000e-04 -3.0964000000e-03 -3.4353000000e-03  1.3665000000e-03 -1.4281000000e-03 -2.5592000000e-03  3.4313000000e-03 -2.2187000000e-03  3.3266000000e-03 -1.8337000000e-03 -1.1246000000e-03 -7.2460000000e-04 -1.6198000000e-03  3.3267000000e-03
+
+JOB 79
+COORDS -1.2818510000e+00 -1.1300940000e+00  4.3932740000e+00 -5.8082600000e-01 -6.0504700000e-01  4.7794370000e+00 -1.6564020000e+00 -1.6105410000e+00  5.1315920000e+00  1.3038000000e+00  1.1185430000e+00 -4.5198320000e+00  4.0591400000e-01  7.9987400000e-01 -4.4277280000e+00  1.4771260000e+00  1.5870350000e+00 -3.7033120000e+00
+ENERGY -1.526542007722e+02
+FORCES  1.3217000000e-03  1.1570000000e-04  4.6577000000e-03 -2.8582000000e-03 -2.1077000000e-03 -1.6235000000e-03  1.5297000000e-03  1.9781000000e-03 -3.0187000000e-03 -3.0030000000e-03  5.4130000000e-04  3.7856000000e-03  3.6676000000e-03  1.3288000000e-03 -4.4090000000e-04 -6.5790000000e-04 -1.8562000000e-03 -3.3602000000e-03
+
+JOB 80
+COORDS -3.4003470000e+00  2.2172370000e+00  2.5026560000e+00 -3.6898310000e+00  2.1719810000e+00  1.5914030000e+00 -3.3875030000e+00  3.1528910000e+00  2.7041960000e+00  3.4579500000e+00 -2.2746240000e+00 -2.4083720000e+00  3.6379240000e+00 -2.5497140000e+00 -3.3073530000e+00  2.5624600000e+00 -1.9375690000e+00 -2.4352570000e+00
+ENERGY -1.526540116875e+02
+FORCES -1.1220000000e-03  3.6645000000e-03 -2.8263000000e-03  1.2002000000e-03  1.5530000000e-04  3.6787000000e-03 -6.5800000000e-05 -3.8270000000e-03 -8.4840000000e-04 -2.9424000000e-03  2.2920000000e-04 -3.7055000000e-03 -7.3260000000e-04  1.1358000000e-03  3.6554000000e-03  3.6626000000e-03 -1.3578000000e-03  4.6300000000e-05
+
+JOB 81
+COORDS -3.9388040000e+00 -1.4414400000e-01 -2.7983700000e+00 -4.4389880000e+00 -9.0145400000e-01 -2.4941840000e+00 -3.4302720000e+00  1.2988200000e-01 -2.0351290000e+00  3.9478120000e+00  1.1671600000e-01  2.7171170000e+00  4.5861080000e+00  8.2970100000e-01  2.7386280000e+00  3.1802490000e+00  4.6806900000e-01  3.1683700000e+00
+ENERGY -1.526540689442e+02
+FORCES  1.0460000000e-04 -2.0394000000e-03  4.3302000000e-03  2.0088000000e-03  3.1132000000e-03 -1.2315000000e-03 -2.1184000000e-03 -1.0659000000e-03 -3.0880000000e-03 -4.2320000000e-04  4.3614000000e-03  1.9388000000e-03 -2.6355000000e-03 -2.9133000000e-03 -7.8100000000e-05  3.0636000000e-03 -1.4560000000e-03 -1.8714000000e-03
+
+JOB 82
+COORDS  1.3074820000e+00 -4.5010460000e+00 -1.1861100000e+00  1.8555170000e+00 -4.8778400000e+00 -1.8745250000e+00  7.7760300000e-01 -3.8421960000e+00 -1.6348610000e+00 -1.2936500000e+00  4.5437840000e+00  1.2200520000e+00 -1.8267480000e+00  4.4438520000e+00  2.0087550000e+00 -1.0241000000e+00  3.6525510000e+00  9.9806500000e-01
+ENERGY -1.526541132601e+02
+FORCES  1.2020000000e-04  1.0654000000e-03 -4.6987000000e-03 -2.2511000000e-03  1.5546000000e-03  2.8190000000e-03  2.1367000000e-03 -2.6271000000e-03  1.8924000000e-03 -1.0486000000e-03 -4.0440000000e-03  2.3900000000e-03  2.1595000000e-03  4.1660000000e-04 -3.2401000000e-03 -1.1166000000e-03  3.6344000000e-03  8.3730000000e-04
+
+JOB 83
+COORDS -7.5460800000e-01  3.0276260000e+00  3.8095290000e+00 -8.9399800000e-01  2.2164170000e+00  4.2981420000e+00  1.2114100000e-01  2.9344580000e+00  3.4345420000e+00  7.2292100000e-01 -3.0045190000e+00 -3.7584220000e+00  3.0859000000e-02 -2.3994640000e+00 -4.0252350000e+00  1.2461100000e+00 -3.1345440000e+00 -4.5493690000e+00
+ENERGY -1.526541823843e+02
+FORCES  3.0223000000e-03 -3.7554000000e-03  4.4580000000e-04  5.5090000000e-04  3.3367000000e-03 -1.9663000000e-03 -3.5733000000e-03  4.2970000000e-04  1.5352000000e-03 -7.2660000000e-04  1.9229000000e-03 -4.3606000000e-03  2.8463000000e-03 -2.4689000000e-03  1.1068000000e-03 -2.1196000000e-03  5.3500000000e-04  3.2392000000e-03
+
+JOB 84
+COORDS -4.4710270000e+00  2.7156400000e+00 -2.1145550000e+00 -4.3202820000e+00  1.8959810000e+00 -2.5853710000e+00 -5.2054210000e+00  2.5255300000e+00 -1.5308130000e+00  4.5146180000e+00 -2.6684960000e+00  2.1681980000e+00  4.9134880000e+00 -1.9256220000e+00  1.7151270000e+00  4.0452320000e+00 -3.1438080000e+00  1.4826410000e+00
+ENERGY -1.526540795664e+02
+FORCES -2.4249000000e-03 -4.0989000000e-03  4.8410000000e-04 -5.8060000000e-04  3.3344000000e-03  1.9131000000e-03  3.0060000000e-03  7.6710000000e-04 -2.3959000000e-03 -2.7520000000e-04  1.1343000000e-03 -4.6417000000e-03 -1.6244000000e-03 -3.0546000000e-03  1.8449000000e-03  1.8991000000e-03  1.9178000000e-03  2.7956000000e-03
+
+JOB 85
+COORDS -2.4067090000e+00 -2.6888620000e+00 -4.8512130000e+00 -1.7625950000e+00 -3.0496200000e+00 -4.2419480000e+00 -2.0264490000e+00 -2.8357970000e+00 -5.7172640000e+00  2.3804350000e+00  2.7185250000e+00  4.9207470000e+00  2.7760180000e+00  2.6293030000e+00  4.0536920000e+00  1.4381150000e+00  2.7380190000e+00  4.7537580000e+00
+ENERGY -1.526540897769e+02
+FORCES  4.1518000000e-03 -2.1229000000e-03 -1.0914000000e-03 -2.6167000000e-03  1.5102000000e-03 -2.4598000000e-03 -1.5403000000e-03  6.1560000000e-04  3.5493000000e-03 -2.2577000000e-03 -2.5670000000e-04 -4.2138000000e-03 -1.5967000000e-03  3.4520000000e-04  3.5335000000e-03  3.8595000000e-03 -9.1500000000e-05  6.8220000000e-04
+
+JOB 86
+COORDS  3.4029770000e+00  5.1025220000e+00  2.6430800000e+00  4.3356600000e+00  5.1747610000e+00  2.8458510000e+00  2.9780440000e+00  5.0141910000e+00  3.4962270000e+00 -3.4871140000e+00 -5.0810410000e+00 -2.7309700000e+00 -2.6910960000e+00 -5.4489420000e+00 -3.1146850000e+00 -3.3211130000e+00 -5.0806920000e+00 -1.7882750000e+00
+ENERGY -1.526540665938e+02
+FORCES  2.0640000000e-03 -3.2100000000e-05  4.3049000000e-03 -3.8044000000e-03 -3.0970000000e-04 -8.2700000000e-04  1.7383000000e-03  3.4310000000e-04 -3.4802000000e-03  3.9442000000e-03 -1.4553000000e-03  2.2753000000e-03 -3.2545000000e-03  1.4785000000e-03  1.5661000000e-03 -6.8760000000e-04 -2.4500000000e-05 -3.8391000000e-03
+
+JOB 87
+COORDS -6.9892950000e+00  2.6301200000e+00  1.0081250000e+00 -6.8733440000e+00  1.7521720000e+00  1.3714350000e+00 -7.8850030000e+00  2.8712300000e+00  1.2443530000e+00  7.0326500000e+00 -2.5568350000e+00 -1.0903660000e+00  7.5612520000e+00 -2.5534640000e+00 -2.9236800000e-01  6.4902270000e+00 -3.3419590000e+00 -1.0156070000e+00
+ENERGY -1.526540478890e+02
+FORCES -3.1758000000e-03 -2.5918000000e-03  2.4354000000e-03 -4.7530000000e-04  3.5779000000e-03 -1.4763000000e-03  3.6538000000e-03 -9.8680000000e-04 -9.6000000000e-04 -6.8000000000e-05 -3.1721000000e-03  3.5587000000e-03 -2.1527000000e-03 -2.1600000000e-05 -3.2551000000e-03  2.2180000000e-03  3.1944000000e-03 -3.0270000000e-04
+
+JOB 88
+COORDS  5.5271860000e+00 -5.5667850000e+00 -1.5912400000e-01  6.2599920000e+00 -5.1123930000e+00 -5.7476200000e-01  5.1532180000e+00 -4.9209490000e+00  4.4027200000e-01 -5.5437670000e+00  5.4961020000e+00  2.0440100000e-01 -5.4473570000e+00  6.2844670000e+00 -3.2984400000e-01 -5.7404100000e+00  4.8022520000e+00 -4.2499200000e-01
+ENERGY -1.526540872422e+02
+FORCES  1.4633000000e-03  4.4895000000e-03  7.6680000000e-04 -2.9893000000e-03 -1.8545000000e-03  1.6869000000e-03  1.5272000000e-03 -2.6360000000e-03 -2.4546000000e-03 -4.3310000000e-04  3.8680000000e-04 -4.7484000000e-03 -3.8260000000e-04 -3.2169000000e-03  2.1805000000e-03  8.1450000000e-04  2.8312000000e-03  2.5688000000e-03
+
+JOB 89
+COORDS -3.5285330000e+00  7.2719420000e+00  3.3301900000e-01 -3.1514980000e+00  7.9050950000e+00 -2.7787800000e-01 -2.8652780000e+00  6.5857830000e+00  4.0724200000e-01  3.4726060000e+00 -7.2057110000e+00 -2.7082700000e-01  3.6136200000e+00 -7.3909000000e+00 -1.1992940000e+00  3.2823840000e+00 -8.0594540000e+00  1.1798100000e-01
+ENERGY -1.526540946718e+02
+FORCES  4.2542000000e-03 -2.3560000000e-04 -2.1812000000e-03 -1.5436000000e-03 -2.5734000000e-03  2.4878000000e-03 -2.7107000000e-03  2.8113000000e-03 -3.0760000000e-04 -2.0470000000e-04 -4.2524000000e-03 -2.1942000000e-03 -5.7360000000e-04  7.6460000000e-04  3.7842000000e-03  7.7830000000e-04  3.4855000000e-03 -1.5890000000e-03
+
+JOB 0
+COORDS -5.9628000000e-01  8.7439500000e-01  5.0884500000e-01 -1.0001940000e+00  4.7138200000e-01  1.2773930000e+00 -1.1618470000e+00  1.6187070000e+00  3.0301700000e-01  7.1120900000e-01 -8.9135100000e-01 -5.8182100000e-01  2.3772100000e-01 -1.7060730000e+00 -4.1368900000e-01  2.2915100000e-01 -2.2748300000e-01 -8.8739000000e-02
+ENERGY -1.526499001681e+02
+FORCES  1.2529900000e-02 -1.6985500000e-02 -1.5398900000e-02  2.4876000000e-03  5.2100000000e-04 -6.4019000000e-03  1.4647000000e-03 -4.2976000000e-03  4.2201000000e-03 -1.6088300000e-02  2.1600700000e-02  1.0067500000e-02 -5.9150000000e-04  3.9615000000e-03  1.8427000000e-03  1.9760000000e-04 -4.8002000000e-03  5.6705000000e-03
+
+JOB 1
+COORDS -1.8776800000e-01  9.4644700000e-01 -7.6946600000e-01 -1.0835320000e+00  1.0889150000e+00 -1.0753120000e+00  3.0946900000e-01  7.5388500000e-01 -1.5643930000e+00  2.2960100000e-01 -1.0104180000e+00  8.2637100000e-01  7.7177000000e-02 -3.7259400000e-01  1.2910500000e-01  6.6161000000e-02 -5.2538400000e-01  1.6352350000e+00
+ENERGY -1.526562904280e+02
+FORCES  1.7990000000e-04 -1.0278700000e-02  6.8100000000e-03  5.5938000000e-03 -1.0942000000e-03  1.2877000000e-03 -3.9812000000e-03 -1.3310000000e-03  5.8998000000e-03 -4.6247000000e-03  2.1192300000e-02 -1.2848200000e-02  3.1558000000e-03 -7.4198000000e-03  6.1390000000e-04 -3.2360000000e-04 -1.0686000000e-03 -1.7631000000e-03
+
+JOB 2
+COORDS -1.3485000000e-02 -6.0612700000e-01  1.1838240000e+00 -1.9553500000e-01 -9.5640000000e-02  3.9484200000e-01  9.1297400000e-01 -4.4688900000e-01  1.3642370000e+00 -8.4042000000e-02  5.7923900000e-01 -1.1097010000e+00  7.3789200000e-01  1.0697710000e+00 -1.1154890000e+00  3.9649000000e-02 -1.0409000000e-01 -1.7684830000e+00
+ENERGY -1.526558316388e+02
+FORCES  4.3570000000e-04  1.1612000000e-02 -2.0545100000e-02  1.0755000000e-03 -3.7332000000e-03  7.5782000000e-03 -1.9354000000e-03  4.0070000000e-04 -1.8096000000e-03  3.8111000000e-03 -8.2307000000e-03  9.4994000000e-03 -3.8186000000e-03 -4.3704000000e-03  1.4480000000e-03  4.3170000000e-04  4.3216000000e-03  3.8290000000e-03
+
+JOB 3
+COORDS -4.3124500000e-01  1.1895510000e+00  4.4326600000e-01 -6.1992000000e-02  3.4984300000e-01  1.6981600000e-01 -8.8555200000e-01  1.5162410000e+00 -3.3333600000e-01  3.8847900000e-01 -1.1454390000e+00 -4.2095900000e-01  3.4510900000e-01 -1.6592680000e+00  3.8547100000e-01  1.3233250000e+00 -9.9173400000e-01 -5.5760300000e-01
+ENERGY -1.526578609024e+02
+FORCES  4.3210000000e-03 -1.8970300000e-02 -1.0097600000e-02  9.3590000000e-04  7.5884000000e-03  6.1999000000e-03  1.6504000000e-03 -1.0461000000e-03  1.5452000000e-03 -1.0467000000e-03  5.4613000000e-03  4.1754000000e-03  7.2670000000e-04  5.6028000000e-03 -4.1988000000e-03 -6.5874000000e-03  1.3640000000e-03  2.3758000000e-03
+
+JOB 4
+COORDS -1.6819600000e-01  1.0147330000e+00  8.4810200000e-01  4.7470300000e-01  1.1867040000e+00  1.5360980000e+00  2.4416500000e-01  3.5148700000e-01  2.9466300000e-01  1.1900400000e-01 -9.2870400000e-01 -8.1984600000e-01  1.2682200000e-01 -1.8249060000e+00 -4.8370400000e-01 -1.0062300000e-01 -1.0219850000e+00 -1.7468270000e+00
+ENERGY -1.526573032418e+02
+FORCES  2.0108000000e-03 -1.1384800000e-02 -1.1296600000e-02 -1.0682000000e-03 -3.3117000000e-03 -3.2837000000e-03  1.4603000000e-03  4.5124000000e-03  6.6407000000e-03 -3.5474000000e-03  7.9015000000e-03  5.8841000000e-03  3.7320000000e-04  4.2190000000e-03 -2.5435000000e-03  7.7140000000e-04 -1.9364000000e-03  4.5990000000e-03
+
+JOB 5
+COORDS -1.3083620000e+00 -3.0650900000e-01 -4.3210700000e-01 -3.7393900000e-01 -4.1213500000e-01 -6.1079400000e-01 -1.3437520000e+00  6.1764000000e-02  4.5070300000e-01  1.2169600000e+00  2.5673800000e-01  4.3066400000e-01  1.7629960000e+00 -7.0987000000e-02 -2.8395000000e-01  1.3135610000e+00  1.2081650000e+00  3.8960200000e-01
+ENERGY -1.526548467532e+02
+FORCES  1.4673000000e-02  3.7685000000e-03  9.3666000000e-03 -5.9680000000e-04 -2.9176000000e-03 -6.6885000000e-03 -3.6741000000e-03  3.6520000000e-04 -1.8184000000e-03 -2.7395000000e-03  2.8537000000e-03 -3.2777000000e-03 -6.7781000000e-03  9.6220000000e-04  1.9849000000e-03 -8.8450000000e-04 -5.0321000000e-03  4.3310000000e-04
+
+JOB 6
+COORDS -2.6665000000e-02  1.1450690000e+00  5.7038200000e-01  6.8980500000e-01  1.4501540000e+00  1.1270020000e+00 -7.7221500000e-01  1.6921870000e+00  8.1746200000e-01  1.8762000000e-02 -1.2508560000e+00 -6.6448100000e-01  5.9267900000e-01 -1.2668860000e+00  1.0141300000e-01 -3.5585700000e-01 -3.7000800000e-01 -6.6525900000e-01
+ENERGY -1.526563693126e+02
+FORCES  1.6268000000e-03 -3.2633000000e-03 -8.9800000000e-05 -4.0060000000e-03 -1.8568000000e-03 -1.7370000000e-03  3.7206000000e-03 -3.1890000000e-03 -1.8783000000e-03  1.3173000000e-03  1.3971100000e-02  9.6386000000e-03  9.0580000000e-04 -2.8178000000e-03 -1.5872000000e-03 -3.5644000000e-03 -2.8442000000e-03 -4.3463000000e-03
+
+JOB 7
+COORDS  2.4357600000e-01  4.4322100000e-01  1.2566610000e+00 -2.3467000000e-02 -1.9425500000e-01  1.9188880000e+00  1.1327690000e+00  1.8216400000e-01  1.0170440000e+00 -2.8749300000e-01 -3.5532000000e-01 -1.3360630000e+00 -1.2895200000e-01 -3.9535000000e-02 -4.4646900000e-01 -2.9104400000e-01 -1.3090830000e+00 -1.2550910000e+00
+ENERGY -1.526579728556e+02
+FORCES  9.4030000000e-04 -3.6035000000e-03  8.0270000000e-04  2.1647000000e-03  2.6440000000e-03 -4.3026000000e-03 -8.1799000000e-03 -4.4230000000e-04 -2.3500000000e-03 -3.9400000000e-04  2.4422000000e-03  1.3941300000e-02  4.7350000000e-03 -4.0792000000e-03 -9.1071000000e-03  7.3390000000e-04  3.0388000000e-03  1.0157000000e-03
+
+JOB 8
+COORDS  1.0612610000e+00 -7.8556200000e-01 -8.7360000000e-02  1.9021120000e+00 -3.4312500000e-01  2.8621000000e-02  1.1318410000e+00 -1.5783090000e+00  4.4443200000e-01 -1.1177790000e+00  8.6132600000e-01  2.3683000000e-02 -1.7708770000e+00  4.3852400000e-01  5.8129600000e-01 -4.0136800000e-01  2.2869400000e-01 -2.8877000000e-02
+ENERGY -1.526604618779e+02
+FORCES -8.2490000000e-04  2.9261000000e-03  2.6963000000e-03 -3.9338000000e-03 -3.5111000000e-03 -4.7900000000e-05  6.4700000000e-05  4.3798000000e-03 -2.2115000000e-03  1.0120100000e-02 -1.0061600000e-02  3.9560000000e-04  2.6499000000e-03  1.3850000000e-04 -1.3445000000e-03 -8.0761000000e-03  6.1283000000e-03  5.1200000000e-04
+
+JOB 9
+COORDS -6.2168000000e-01 -8.2697000000e-01 -9.7080500000e-01 -1.2326530000e+00 -3.4933100000e-01 -1.5318800000e+00 -9.0609000000e-02 -1.4517700000e-01 -5.5928000000e-01  6.4995700000e-01  7.2769700000e-01  9.2377200000e-01  3.0379200000e-01  3.8392500000e-01  1.7473150000e+00  5.8731500000e-01  1.6784420000e+00  1.0153740000e+00
+ENERGY -1.526604263604e+02
+FORCES  5.0643000000e-03  8.6531000000e-03  6.7135000000e-03  2.3019000000e-03 -2.5560000000e-04  2.5102000000e-03 -4.7753000000e-03 -5.0993000000e-03 -7.6993000000e-03 -4.1561000000e-03 -1.8928000000e-03  2.4066000000e-03  2.2641000000e-03  3.4245000000e-03 -3.3449000000e-03 -6.9890000000e-04 -4.8298000000e-03 -5.8610000000e-04
+
+JOB 10
+COORDS  2.8902400000e-01  1.0496380000e+00  8.2062400000e-01  1.0806110000e+00  7.0300000000e-01  4.0896300000e-01  5.8349200000e-01  1.3741360000e+00  1.6716360000e+00 -4.0745900000e-01 -1.0870290000e+00 -8.4215600000e-01 -1.9987100000e-01 -2.2124700000e-01 -4.9064400000e-01  3.7083300000e-01 -1.3367180000e+00 -1.3403010000e+00
+ENERGY -1.526530264155e+02
+FORCES  1.7600000000e-03 -3.4034000000e-03  3.2394000000e-03 -8.3704000000e-03 -1.2912000000e-03 -2.6219000000e-03  6.3000000000e-05 -1.3198000000e-03 -4.3083000000e-03  5.5460000000e-04  6.1065000000e-03  4.1855000000e-03  7.5880000000e-03 -2.7558000000e-03 -4.1580000000e-03 -1.5952000000e-03  2.6637000000e-03  3.6634000000e-03
+
+JOB 11
+COORDS  9.3718500000e-01 -3.1499300000e-01 -8.9703500000e-01  1.8768050000e+00 -2.1243800000e-01 -1.0481290000e+00  6.2111200000e-01 -7.9070900000e-01 -1.6651640000e+00 -9.7475100000e-01  3.8238300000e-01  1.0028900000e+00 -2.9122700000e-01  1.7440000000e-01  3.6588900000e-01 -1.7072560000e+00 -1.8508500000e-01  7.6278900000e-01
+ENERGY -1.526602709229e+02
+FORCES -8.9300000000e-05  6.4690000000e-04  7.5080000000e-04 -4.5001000000e-03 -1.4904000000e-03 -1.1250000000e-03  2.0019000000e-03  2.1080000000e-03  3.7469000000e-03  7.3850000000e-03 -4.3722000000e-03 -8.5088000000e-03 -7.1718000000e-03  1.7371000000e-03  5.3753000000e-03  2.3743000000e-03  1.3707000000e-03 -2.3920000000e-04
+
+JOB 12
+COORDS  8.1277400000e-01  7.8499900000e-01 -9.0623600000e-01  4.5150800000e-01  2.7997300000e-01 -1.7776700000e-01  3.8602100000e-01  1.6393120000e+00 -8.4094500000e-01 -7.9773300000e-01 -7.6615700000e-01  8.1886500000e-01 -4.2552100000e-01 -5.2333200000e-01  1.6666420000e+00 -6.3209400000e-01 -1.7059690000e+00  7.4436600000e-01
+ENERGY -1.526590691976e+02
+FORCES -9.9632000000e-03 -4.8704000000e-03  6.7568000000e-03  8.3748000000e-03  5.6412000000e-03 -1.9324000000e-03  1.5117000000e-03 -2.4603000000e-03  4.5730000000e-04  1.8000000000e-04 -4.0185000000e-03  6.9790000000e-04  2.3310000000e-04  3.7590000000e-04 -7.0985000000e-03 -3.3640000000e-04  5.3321000000e-03  1.1189000000e-03
+
+JOB 13
+COORDS  1.0515080000e+00 -7.3595600000e-01 -7.2235400000e-01  3.8167000000e-01 -7.2898700000e-01 -3.8614000000e-02  1.3559570000e+00  1.7032200000e-01 -7.6930100000e-01 -9.6898400000e-01  6.6181300000e-01  7.1357200000e-01 -1.7818120000e+00  1.6195500000e-01  6.3817300000e-01 -1.1732890000e+00  1.5122580000e+00  3.2468400000e-01
+ENERGY -1.526575775443e+02
+FORCES -7.3422000000e-03  9.5636000000e-03  7.1976000000e-03  2.1926000000e-03 -6.6511000000e-03 -2.3643000000e-03  9.2260000000e-04 -2.2009000000e-03 -1.7743000000e-03 -1.6498000000e-03  1.5975000000e-03 -5.0662000000e-03  5.1297000000e-03  1.4204000000e-03 -5.2800000000e-05  7.4720000000e-04 -3.7295000000e-03  2.0599000000e-03
+
+JOB 14
+COORDS  1.3162590000e+00 -5.5675900000e-01  3.2729000000e-01  1.5734860000e+00  2.1442400000e-01  8.3260500000e-01  5.2979200000e-01 -2.8303600000e-01 -1.4470400000e-01 -1.2178680000e+00  4.7935100000e-01 -3.4559500000e-01 -1.6224310000e+00  1.3367730000e+00 -4.7745800000e-01 -1.9028650000e+00 -4.8702000000e-02  6.4493000000e-02
+ENERGY -1.526604037573e+02
+FORCES -9.6524000000e-03  7.8206000000e-03 -1.6458000000e-03  2.1350000000e-04 -2.1779000000e-03 -1.0430000000e-03  6.4425000000e-03 -5.0482000000e-03  1.2701000000e-03 -5.8470000000e-04  1.5840000000e-04  2.1336000000e-03  8.0140000000e-04 -4.2113000000e-03  1.6345000000e-03  2.7796000000e-03  3.4584000000e-03 -2.3494000000e-03
+
+JOB 15
+COORDS  1.2248690000e+00  5.7930200000e-01  5.1380100000e-01  5.4506400000e-01  2.2557800000e-01 -5.9763000000e-02  1.9592760000e+00 -2.7052000000e-02  4.1781200000e-01 -1.2242840000e+00 -4.7059300000e-01 -5.2483500000e-01 -1.3893300000e+00 -4.0271200000e-01  4.1558100000e-01 -1.1003760000e+00 -1.4070090000e+00 -6.7976700000e-01
+ENERGY -1.526602032647e+02
+FORCES -5.9974000000e-03 -4.4383000000e-03 -6.9665000000e-03  7.7953000000e-03  2.0200000000e-03  7.3476000000e-03 -3.4658000000e-03  1.0608000000e-03 -8.0700000000e-05 -2.4799000000e-03 -3.4589000000e-03  4.5359000000e-03  3.0609000000e-03 -3.6170000000e-04 -6.0809000000e-03  1.0869000000e-03  5.1781000000e-03  1.2446000000e-03
+
+JOB 16
+COORDS -6.9669600000e-01 -1.2852400000e+00 -1.0796800000e-01 -8.5093000000e-02 -5.5004400000e-01 -1.4871200000e-01 -3.5618500000e-01 -1.8421650000e+00  5.9211700000e-01  6.9353500000e-01  1.2434930000e+00  4.0297000000e-02  6.2707400000e-01  1.6284540000e+00  9.1415000000e-01 -1.8495800000e-01  1.3334330000e+00 -3.2901600000e-01
+ENERGY -1.526588375070e+02
+FORCES  8.9448000000e-03  5.0942000000e-03  3.3670000000e-03 -9.1874000000e-03 -2.6430000000e-03 -3.0680000000e-03 -1.2815000000e-03  1.8839000000e-03 -1.9206000000e-03 -4.5349000000e-03  3.5651000000e-03  3.6062000000e-03  3.4430000000e-04 -1.8204000000e-03 -4.4017000000e-03  5.7146000000e-03 -6.0798000000e-03  2.4171000000e-03
+
+JOB 17
+COORDS -1.2843690000e+00 -4.0641600000e-01 -3.2449300000e-01 -1.1968880000e+00 -1.1616730000e+00  2.5702700000e-01 -2.0414120000e+00 -6.1221300000e-01 -8.7291500000e-01  1.3484460000e+00  5.1050300000e-01  2.6862600000e-01  1.7469460000e+00  3.1381200000e-01  1.1164130000e+00  5.4702100000e-01 -1.2666000000e-02  2.5299700000e-01
+ENERGY -1.526555197213e+02
+FORCES -2.6830000000e-03 -1.5106000000e-03 -2.7488000000e-03  3.8575000000e-03  5.8327000000e-03 -2.4286000000e-03  2.6881000000e-03  1.6870000000e-04  3.5134000000e-03 -6.7754000000e-03 -1.5154000000e-03 -7.5720000000e-04 -2.9308000000e-03 -3.5920000000e-04 -3.0566000000e-03  5.8435000000e-03 -2.6161000000e-03  5.4779000000e-03
+
+JOB 18
+COORDS -6.5993900000e-01 -1.2747470000e+00 -4.1042900000e-01 -2.3621300000e-01 -1.1786300000e+00 -1.2633360000e+00 -6.2540400000e-01 -3.9914000000e-01 -2.5264000000e-02  6.2651200000e-01  1.1610300000e+00  3.9585600000e-01  9.6337700000e-01  2.0208890000e+00  1.4406800000e-01  4.0407800000e-01  1.2523230000e+00  1.3223660000e+00
+ENERGY -1.526582937932e+02
+FORCES  6.9281000000e-03  1.0061400000e-02 -1.2573000000e-03 -2.0115000000e-03 -1.8355000000e-03  1.3596000000e-03 -4.6731000000e-03 -5.4324000000e-03  2.2693000000e-03  1.2395000000e-03  2.3168000000e-03  1.4679000000e-03 -9.5600000000e-04 -4.1576000000e-03  1.8135000000e-03 -5.2700000000e-04 -9.5270000000e-04 -5.6531000000e-03
+
+JOB 19
+COORDS  5.2585700000e-01  9.2429300000e-01 -8.8569200000e-01 -8.7399000000e-02  1.3476020000e+00 -1.4864900000e+00  1.3799840000e+00  1.0214740000e+00 -1.3067080000e+00 -5.1759200000e-01 -1.0098860000e+00  9.5326200000e-01 -1.0390940000e+00 -5.1763700000e-01  1.5872640000e+00 -4.5908800000e-01 -4.3334000000e-01  1.9141900000e-01
+ENERGY -1.526591535677e+02
+FORCES  4.2034000000e-03  1.0760000000e-04 -1.9776000000e-03  2.2509000000e-03 -3.2015000000e-03  3.8275000000e-03 -4.5086000000e-03  1.1303000000e-03  8.8350000000e-04  3.1287000000e-03  8.4575000000e-03 -4.5233000000e-03  1.3725000000e-03 -1.2746000000e-03 -2.3870000000e-03 -6.4470000000e-03 -5.2193000000e-03  4.1769000000e-03
+
+JOB 20
+COORDS  1.2591130000e+00 -3.6250200000e-01  7.1072500000e-01  4.3281600000e-01 -9.8206000000e-02  3.0623400000e-01  1.0411860000e+00 -5.0276600000e-01  1.6321730000e+00 -1.1944000000e+00  3.1406800000e-01 -6.8336700000e-01 -1.4405740000e+00  1.2390380000e+00 -6.7552500000e-01 -1.1214070000e+00  9.3018000000e-02 -1.6118280000e+00
+ENERGY -1.526621393216e+02
+FORCES -1.0015100000e-02  1.5552000000e-03 -2.3066000000e-03  9.6315000000e-03 -1.8957000000e-03  5.0257000000e-03  2.1320000000e-04  9.1370000000e-04 -2.8160000000e-03 -6.6770000000e-04  2.1870000000e-03 -4.3264000000e-03  1.4359000000e-03 -4.7604000000e-03 -2.5990000000e-04 -5.9780000000e-04  2.0001000000e-03  4.6833000000e-03
+
+JOB 21
+COORDS  3.9734300000e-01  7.7869700000e-01  1.1203480000e+00  5.2906700000e-01  1.2732510000e+00  3.1146100000e-01  4.8194600000e-01  1.4302300000e+00  1.8164640000e+00 -4.0373900000e-01 -8.7776300000e-01 -1.1801990000e+00 -8.6845200000e-01 -8.4826000000e-02 -9.1275900000e-01 -4.0864000000e-02 -1.2290420000e+00 -3.6708300000e-01
+ENERGY -1.526575900580e+02
+FORCES  2.3547000000e-03  4.2326000000e-03 -5.1910000000e-04 -3.2210000000e-03 -2.2959000000e-03  3.8708000000e-03 -3.5200000000e-04 -2.5613000000e-03 -3.8167000000e-03 -5.1810000000e-04  1.7549000000e-03  9.3389000000e-03  2.7369000000e-03 -1.3340000000e-04 -3.4808000000e-03 -1.0004000000e-03 -9.9690000000e-04 -5.3930000000e-03
+
+JOB 22
+COORDS -1.6900700000e-01 -6.3498300000e-01 -1.2761260000e+00 -3.9645800000e-01 -1.4482890000e+00 -1.7267150000e+00 -9.9599200000e-01 -3.2640000000e-01 -9.0585000000e-01  1.7804400000e-01  7.0019800000e-01  1.2853460000e+00  7.7856900000e-01  5.7109500000e-01  5.5122500000e-01  5.1093900000e-01  1.2253300000e-01  1.9721620000e+00
+ENERGY -1.526590620870e+02
+FORCES -5.0711000000e-03 -7.9300000000e-04  2.1727000000e-03  2.2690000000e-04  3.0916000000e-03  2.6231000000e-03  3.4286000000e-03 -2.1964000000e-03 -4.4155000000e-03  4.7057000000e-03 -5.4856000000e-03 -3.5946000000e-03 -2.0534000000e-03  3.2669000000e-03  5.4579000000e-03 -1.2367000000e-03  2.1165000000e-03 -2.2437000000e-03
+
+JOB 23
+COORDS -1.8216200000e-01 -1.4229780000e+00  1.5574100000e-01  2.5483300000e-01 -1.6142040000e+00  9.8562100000e-01 -1.1086050000e+00 -1.3472710000e+00  3.8422200000e-01  1.6980000000e-01  1.4604360000e+00 -2.5583300000e-01  2.8318600000e-01  5.1822600000e-01 -1.3087500000e-01  7.5934900000e-01  1.8600040000e+00  3.8370600000e-01
+ENERGY -1.526605526935e+02
+FORCES -4.5631000000e-03 -2.3603000000e-03  3.9339000000e-03 -1.7861000000e-03  3.0768000000e-03 -4.2956000000e-03  5.4895000000e-03 -4.0490000000e-04 -6.4020000000e-04  1.6934000000e-03 -8.7974000000e-03  1.6867000000e-03  1.1635000000e-03  1.1068100000e-02  7.9480000000e-04 -1.9971000000e-03 -2.5824000000e-03 -1.4797000000e-03
+
+JOB 24
+COORDS -7.1079800000e-01  1.1475630000e+00  4.5183700000e-01 -5.6065100000e-01  1.9447070000e+00 -5.6345000000e-02 -3.6741100000e-01  1.3495630000e+00  1.3221890000e+00  6.7346700000e-01 -1.2662860000e+00 -4.6609700000e-01  1.3216690000e+00 -8.0653200000e-01 -9.9966400000e-01  2.3383300000e-01 -5.7369300000e-01  2.7124000000e-02
+ENERGY -1.526597611564e+02
+FORCES  6.5280000000e-04  5.0155000000e-03 -5.4500000000e-04 -2.7080000000e-04 -3.5355000000e-03  3.2114000000e-03 -5.0550000000e-04 -2.3464000000e-03 -5.3868000000e-03 -3.8249000000e-03  1.0395400000e-02  1.0578000000e-03 -1.5774000000e-03 -1.4409000000e-03  1.3637000000e-03  5.5257000000e-03 -8.0881000000e-03  2.9900000000e-04
+
+JOB 25
+COORDS -1.4732070000e+00  3.2833900000e-01  2.1242700000e-01 -1.3872830000e+00  9.2129600000e-01 -5.3406600000e-01 -6.2480600000e-01 -1.1131400000e-01  2.6858100000e-01  1.3720370000e+00 -2.9773700000e-01 -1.9817800000e-01  1.5384180000e+00 -1.2197970000e+00 -3.9402300000e-01  2.0596090000e+00 -5.6361000000e-02  4.2247800000e-01
+ENERGY -1.526608409190e+02
+FORCES  1.0758700000e-02  2.0230000000e-04 -3.8768000000e-03 -1.8159000000e-03 -1.1846000000e-03  2.1127000000e-03 -8.7084000000e-03 -7.6830000000e-04  1.9144000000e-03  4.5126000000e-03 -1.1200000000e-03  1.3489000000e-03 -1.6868000000e-03  4.7684000000e-03  1.8333000000e-03 -3.0602000000e-03 -1.8979000000e-03 -3.3324000000e-03
+
+JOB 26
+COORDS -1.3727560000e+00 -4.2030000000e-03 -3.1734100000e-01 -1.7752640000e+00 -6.1165300000e-01 -9.3800400000e-01 -1.9392830000e+00  7.6714400000e-01 -3.3475300000e-01  1.4812970000e+00  3.6970000000e-02  3.5046800000e-01  1.3219360000e+00 -6.4219800000e-01  1.0058810000e+00  7.3459100000e-01 -2.4480000000e-02 -2.4525600000e-01
+ENERGY -1.526597505220e+02
+FORCES -4.0823000000e-03  2.7011000000e-03 -5.6850000000e-04  2.8616000000e-03  3.0221000000e-03  2.9778000000e-03  1.7308000000e-03 -4.4016000000e-03 -5.0750000000e-04 -1.0705000000e-02 -2.1662000000e-03 -8.3700000000e-05  1.8121000000e-03  1.6298000000e-03 -1.6541000000e-03  8.3828000000e-03 -7.8520000000e-04 -1.6400000000e-04
+
+JOB 27
+COORDS -6.7415900000e-01  1.0824480000e+00  7.5335800000e-01 -3.9907000000e-01  1.8954000000e-01  9.6138100000e-01 -2.4591200000e-01  1.6257710000e+00  1.4148990000e+00  6.3506700000e-01 -1.0052540000e+00 -7.6549500000e-01  1.3141380000e+00 -1.3079590000e+00 -1.3683750000e+00 -4.8661000000e-02 -1.6729730000e+00 -8.1934100000e-01
+ENERGY -1.526543915543e+02
+FORCES  6.3739000000e-03 -4.5028000000e-03 -2.7670000000e-04 -4.9867000000e-03  2.9760000000e-03  2.5715000000e-03 -1.2294000000e-03 -1.9173000000e-03 -2.7253000000e-03 -4.9900000000e-05 -1.4370000000e-03 -4.1673000000e-03 -3.2190000000e-03  1.3510000000e-03  2.3512000000e-03  3.1111000000e-03  3.5301000000e-03  2.2466000000e-03
+
+JOB 28
+COORDS -9.3351900000e-01  7.1417000000e-01 -9.6825600000e-01 -3.4579300000e-01  5.7023500000e-01 -1.7099390000e+00 -7.6391400000e-01 -2.2569000000e-02 -3.8116000000e-01  9.0491800000e-01 -7.1071900000e-01  9.5235600000e-01  1.3957150000e+00  1.1065100000e-01  9.7883200000e-01  9.5036000000e-02 -5.2173700000e-01  1.4262840000e+00
+ENERGY -1.526563946018e+02
+FORCES  7.3236000000e-03 -7.0844000000e-03  2.1520000000e-04 -2.4511000000e-03  1.8535000000e-03  1.9431000000e-03 -5.1403000000e-03  4.0302000000e-03  1.5879000000e-03  4.9710000000e-04  6.9769000000e-03  2.9513000000e-03 -1.6546000000e-03 -4.6066000000e-03 -1.0000000000e-07  1.4253000000e-03 -1.1696000000e-03 -6.6974000000e-03
+
+JOB 29
+COORDS  6.9000000000e-02 -1.0373140000e+00  1.1526570000e+00  1.1727200000e-01 -1.3077420000e+00  2.3572200000e-01  4.2289700000e-01 -1.4796500000e-01  1.1595220000e+00 -8.0057000000e-02  9.4307200000e-01 -1.1228830000e+00  4.9995400000e-01  1.6942740000e+00 -9.9832700000e-01 -9.0778300000e-01  1.2100880000e+00 -7.2312900000e-01
+ENERGY -1.526574097797e+02
+FORCES  2.2984000000e-03  5.3906000000e-03 -9.0899000000e-03 -8.1340000000e-04 -2.5675000000e-03  4.6206000000e-03 -1.0618000000e-03 -1.6541000000e-03  3.6342000000e-03 -2.6797000000e-03  3.9217000000e-03  1.1621000000e-03 -2.4952000000e-03 -4.1545000000e-03  1.1621000000e-03  4.7518000000e-03 -9.3620000000e-04 -1.4891000000e-03
+
+JOB 30
+COORDS  1.1383140000e+00  9.2153100000e-01  1.2081900000e-01  1.8961970000e+00  6.9314700000e-01 -4.1740600000e-01  7.1220200000e-01  1.6345010000e+00 -3.5492800000e-01 -1.2030960000e+00 -9.1713300000e-01 -1.0557000000e-01 -2.4778200000e-01 -9.2746600000e-01 -1.6473800000e-01 -1.4010520000e+00 -1.4392600000e+00  6.7188000000e-01
+ENERGY -1.526575295124e+02
+FORCES -1.2459000000e-03  5.3056000000e-03 -3.2732000000e-03 -4.8261000000e-03 -9.8070000000e-04  2.2439000000e-03  3.5733000000e-03 -2.7919000000e-03  1.9057000000e-03  6.8578000000e-03  1.9496000000e-03  4.1080000000e-03 -5.2506000000e-03 -5.2747000000e-03 -2.2479000000e-03  8.9150000000e-04  1.7920000000e-03 -2.7364000000e-03
+
+JOB 31
+COORDS -1.3625770000e+00 -2.1176900000e-01  5.2365200000e-01 -1.9964280000e+00  4.8793500000e-01  6.8138000000e-01 -1.5806380000e+00 -5.4106200000e-01 -3.4827000000e-01  1.4417970000e+00  2.3486300000e-01 -5.0521400000e-01  5.1059800000e-01  3.0354000000e-02 -5.9051200000e-01  1.8013810000e+00 -4.9155500000e-01  3.9500000000e-03
+ENERGY -1.526560623216e+02
+FORCES -4.8500000000e-03  3.0982000000e-03 -1.2690000000e-04  2.4372000000e-03 -3.9225000000e-03 -9.7170000000e-04  5.6744000000e-03  2.9112000000e-03  3.4122000000e-03 -6.7116000000e-03 -3.3655000000e-03  6.4830000000e-03  3.6747000000e-03 -1.0342000000e-03 -6.3109000000e-03 -2.2460000000e-04  2.3128000000e-03 -2.4858000000e-03
+
+JOB 32
+COORDS -6.2697000000e-02 -1.4157600000e-01  1.5448050000e+00  3.3057200000e-01  6.8320700000e-01  1.8299410000e+00  4.9528000000e-02 -1.4497400000e-01  5.9421300000e-01  6.9306000000e-02  5.1674000000e-02 -1.4737820000e+00  2.4087900000e-01  9.8241400000e-01 -1.6170190000e+00 -7.5607200000e-01 -1.1314200000e-01 -1.9296540000e+00
+ENERGY -1.526607883248e+02
+FORCES  2.1134000000e-03  1.9791000000e-03 -8.2063000000e-03 -1.3368000000e-03 -2.2258000000e-03 -1.5444000000e-03 -3.9930000000e-04  7.1880000000e-04  1.0619200000e-02 -3.6442000000e-03  2.6062000000e-03 -4.6744000000e-03 -1.0402000000e-03 -4.5498000000e-03  2.0016000000e-03  4.3070000000e-03  1.4715000000e-03  1.8044000000e-03
+
+JOB 33
+COORDS  3.0291200000e-01  1.4684490000e+00  1.0264300000e-01  8.4231200000e-01  1.3304760000e+00  8.8125900000e-01 -5.7393400000e-01  1.6408990000e+00  4.4562100000e-01 -2.3435800000e-01 -1.4908720000e+00 -1.2475600000e-01 -9.2893500000e-01 -1.9896510000e+00 -5.5488900000e-01 -3.1102600000e-01 -6.0914900000e-01 -4.8933400000e-01
+ENERGY -1.526595328519e+02
+FORCES  8.9160000000e-04  7.8580000000e-04  7.3224000000e-03 -2.7389000000e-03  1.8924000000e-03 -3.5841000000e-03  3.5635000000e-03 -2.3583000000e-03 -2.8874000000e-03 -9.2800000000e-05  5.0501000000e-03 -3.2069000000e-03  2.1312000000e-03  3.1957000000e-03  1.5265000000e-03 -3.7547000000e-03 -8.5656000000e-03  8.2950000000e-04
+
+JOB 34
+COORDS  7.8715700000e-01  1.2612450000e+00  3.1406800000e-01  1.6066990000e+00  1.4599810000e+00 -1.3879900000e-01  9.7819800000e-01  4.7185400000e-01  8.2062200000e-01 -8.9734800000e-01 -1.2564750000e+00 -3.5174800000e-01 -4.2951900000e-01 -1.5417800000e+00  4.3308900000e-01 -5.1838600000e-01 -4.0248600000e-01 -5.5989000000e-01
+ENERGY -1.526562884673e+02
+FORCES  6.0406000000e-03 -7.0600000000e-05  1.9789000000e-03 -4.2558000000e-03 -1.4936000000e-03  2.1573000000e-03 -3.0799000000e-03  1.4327000000e-03 -4.3329000000e-03  3.3768000000e-03  5.9584000000e-03  1.9921000000e-03 -2.2280000000e-04  2.0277000000e-03 -2.3879000000e-03 -1.8588000000e-03 -7.8546000000e-03  5.9250000000e-04
+
+JOB 35
+COORDS -5.4148200000e-01 -1.6714900000e-01  1.4033530000e+00 -4.0793300000e-01  7.7958700000e-01  1.3576630000e+00 -1.4922230000e+00 -2.7657600000e-01  1.3846720000e+00  6.3869700000e-01  1.4793400000e-01 -1.4389930000e+00  4.4252400000e-01 -7.5643500000e-01 -1.1943170000e+00 -4.2920000000e-02  6.6570400000e-01 -1.0105730000e+00
+ENERGY -1.526548450346e+02
+FORCES -1.7260000000e-03  3.8139000000e-03  2.1052000000e-03 -1.6162000000e-03 -4.3681000000e-03 -2.1393000000e-03  4.8837000000e-03  5.5640000000e-04 -1.6774000000e-03 -4.5872000000e-03 -4.1592000000e-03  7.8067000000e-03  1.2770000000e-03  2.3884000000e-03 -4.2160000000e-03  1.7686000000e-03  1.7685000000e-03 -1.8793000000e-03
+
+JOB 36
+COORDS -8.0002200000e-01  8.7828000000e-01  9.3235800000e-01 -1.3420790000e+00  1.3876050000e+00  3.2986700000e-01 -1.3374580000e+00  1.1796000000e-01  1.1544140000e+00  8.5613500000e-01 -9.3008500000e-01 -9.0437000000e-01  8.4158700000e-01 -2.8952000000e-01 -1.9324700000e-01  1.0325180000e+00 -4.1251000000e-01 -1.6900150000e+00
+ENERGY -1.526592874492e+02
+FORCES -6.3639000000e-03 -2.0853000000e-03 -2.5526000000e-03  2.4544000000e-03 -1.9707000000e-03  2.6312000000e-03  2.5993000000e-03  4.0065000000e-03 -5.3660000000e-04 -1.4366000000e-03  7.5505000000e-03  2.7009000000e-03  3.7394000000e-03 -5.8147000000e-03 -4.7335000000e-03 -9.9260000000e-04 -1.6863000000e-03  2.4906000000e-03
+
+JOB 37
+COORDS  4.0183900000e-01 -8.8189400000e-01  1.2514540000e+00  1.1434630000e+00 -7.0679800000e-01  6.7217300000e-01 -3.5104900000e-01 -9.4817600000e-01  6.6408700000e-01 -3.9991900000e-01  9.4206700000e-01 -1.1552100000e+00  7.4292000000e-02  6.0218600000e-01 -1.9140490000e+00 -9.0348200000e-01  1.9474800000e-01 -8.3245400000e-01
+ENERGY -1.526496406754e+02
+FORCES  9.6250000000e-04  4.5537000000e-03 -6.5383000000e-03 -2.2047000000e-03 -2.9323000000e-03  2.7114000000e-03 -1.9200000000e-04  1.1681000000e-03 -1.2220000000e-03 -9.8760000000e-04 -3.5423000000e-03 -1.5232000000e-03 -1.3554000000e-03  1.1009000000e-03  4.7189000000e-03  3.7772000000e-03 -3.4800000000e-04  1.8532000000e-03
+
+JOB 38
+COORDS  1.1365210000e+00  9.6758200000e-01 -3.6157600000e-01  6.3987700000e-01  1.5177670000e+00 -9.6727700000e-01  1.3333760000e+00  1.7612300000e-01 -8.6264800000e-01 -1.1458640000e+00 -1.0230080000e+00  4.2638100000e-01 -4.5408800000e-01 -7.0925400000e-01 -1.5605900000e-01 -1.4021460000e+00 -2.5165300000e-01  9.3191300000e-01
+ENERGY -1.526550095169e+02
+FORCES  1.7502000000e-03  1.0508000000e-03 -4.8853000000e-03  1.3934000000e-03 -3.7573000000e-03  3.7219000000e-03 -5.3239000000e-03  2.3090000000e-03  3.8924000000e-03  5.1269000000e-03  8.5636000000e-03  1.4304000000e-03 -1.5358000000e-03 -4.6794000000e-03 -2.6274000000e-03 -1.4108000000e-03 -3.4867000000e-03 -1.5319000000e-03
+
+JOB 39
+COORDS  1.4359770000e+00 -2.0216700000e-01 -4.5786100000e-01  2.1989800000e+00  1.4701200000e-01  2.7170000000e-03  1.6872290000e+00 -1.0944810000e+00 -6.9635600000e-01 -1.5286720000e+00  2.0889700000e-01  3.9246800000e-01 -6.3073300000e-01  5.4022000000e-01  3.7971700000e-01 -1.8325120000e+00  3.7338100000e-01  1.2851370000e+00
+ENERGY -1.526582483678e+02
+FORCES  3.8954000000e-03 -5.1465000000e-03 -9.0410000000e-04 -4.2778000000e-03 -1.2688000000e-03 -1.3052000000e-03  5.7430000000e-04  4.2587000000e-03  1.0173000000e-03  5.8044000000e-03  8.8710000000e-04  1.2546000000e-03 -7.7505000000e-03  1.9258000000e-03  3.0360000000e-03  1.7543000000e-03 -6.5630000000e-04 -3.0987000000e-03
+
+JOB 40
+COORDS -6.3564800000e-01  5.0787100000e-01  1.3217080000e+00  2.7461800000e-01  6.4302000000e-01  1.5851140000e+00 -1.0945750000e+00  3.0866800000e-01  2.1377570000e+00  6.8015200000e-01 -4.8123200000e-01 -1.3800830000e+00 -9.9920000000e-03 -3.8873200000e-01 -7.2329100000e-01  2.6405000000e-01 -9.5480800000e-01 -2.1003720000e+00
+ENERGY -1.526603462820e+02
+FORCES  1.5956000000e-03  8.6520000000e-04  6.3600000000e-03 -4.9725000000e-03 -1.2269000000e-03 -1.0994000000e-03  2.4211000000e-03  1.2879000000e-03 -3.0720000000e-03 -5.8244000000e-03 -3.5650000000e-04  1.7434000000e-03  5.6606000000e-03 -2.1263000000e-03 -6.6747000000e-03  1.1196000000e-03  1.5567000000e-03  2.7427000000e-03
+
+JOB 41
+COORDS  3.3956800000e-01 -1.5428810000e+00  1.3250200000e-01  1.1857390000e+00 -1.9825800000e+00  2.1551400000e-01  2.6135100000e-01 -1.0202860000e+00  9.3063000000e-01 -4.4495900000e-01  1.5411330000e+00 -1.7307200000e-01  1.8322900000e-01  9.8640200000e-01  2.8940500000e-01  8.8493000000e-02  2.0511660000e+00 -7.8260100000e-01
+ENERGY -1.526519805149e+02
+FORCES  1.5470000000e-03 -1.9274000000e-03  3.8705000000e-03 -3.9058000000e-03  2.7262000000e-03 -8.1760000000e-04  1.9068000000e-03  1.6775000000e-03 -5.2175000000e-03  5.5383000000e-03 -2.8058000000e-03 -3.2755000000e-03 -2.7698000000e-03  1.7957000000e-03  2.8553000000e-03 -2.3165000000e-03 -1.4662000000e-03  2.5848000000e-03
+
+JOB 42
+COORDS -1.1494800000e+00  1.0561300000e+00  4.2135400000e-01 -1.7049340000e+00  9.2997900000e-01  1.1906320000e+00 -7.4237600000e-01  2.0199200000e-01  2.7662300000e-01  1.1852000000e+00 -1.0422540000e+00 -4.1103500000e-01  3.9654700000e-01 -1.1998120000e+00 -9.3010500000e-01  1.4685720000e+00 -1.6410900000e-01 -6.6557800000e-01
+ENERGY -1.526567033393e+02
+FORCES  9.9050000000e-04 -4.7471000000e-03  4.2570000000e-03  2.0860000000e-03  3.1790000000e-04 -3.1811000000e-03 -4.3485000000e-03  4.2150000000e-03 -3.0606000000e-03  1.9689000000e-03  2.6114000000e-03 -5.6260000000e-03  1.5296000000e-03  2.5898000000e-03  5.9385000000e-03 -2.2264000000e-03 -4.9869000000e-03  1.6723000000e-03
+
+JOB 43
+COORDS  1.2741730000e+00  9.7213900000e-01  6.7550000000e-03  4.4348000000e-01  1.1575110000e+00 -4.3121600000e-01  1.3936280000e+00  1.7025090000e+00  6.1381500000e-01 -1.2750290000e+00 -1.0297740000e+00 -7.1258000000e-02 -1.4025210000e+00 -6.3125800000e-01  7.8965000000e-01 -3.9722600000e-01 -1.4094800000e+00 -3.2327000000e-02
+ENERGY -1.526579915163e+02
+FORCES -3.3978000000e-03  3.9954000000e-03 -9.3010000000e-04  5.1483000000e-03  5.0280000000e-04  2.8880000000e-03 -1.2237000000e-03 -3.2549000000e-03 -2.1820000000e-03  5.1453000000e-03 -1.0720000000e-03  4.9539000000e-03 -4.7320000000e-04 -6.8350000000e-04 -3.7979000000e-03 -5.1988000000e-03  5.1230000000e-04 -9.3190000000e-04
+
+JOB 44
+COORDS -6.7445700000e-01 -9.5159300000e-01  1.1598040000e+00 -5.0413800000e-01 -3.3937100000e-01  4.4397700000e-01 -1.3411620000e+00 -1.5452310000e+00  8.1436300000e-01  7.3994300000e-01  8.9443100000e-01 -1.1217930000e+00  2.5509000000e-02  1.2734420000e+00 -1.6338140000e+00  7.8917000000e-01  1.4408060000e+00 -3.3739300000e-01
+ENERGY -1.526577091156e+02
+FORCES  4.2140000000e-04 -2.6500000000e-05 -6.9511000000e-03 -4.0629000000e-03 -1.3289000000e-03  7.2703000000e-03  2.1666000000e-03  2.3948000000e-03  1.2061000000e-03  1.3020000000e-03  6.6418000000e-03 -1.5618000000e-03  2.6026000000e-03 -2.9854000000e-03  3.5643000000e-03 -2.4298000000e-03 -4.6959000000e-03 -3.5277000000e-03
+
+JOB 45
+COORDS -1.1778020000e+00 -9.9117600000e-01 -5.6925400000e-01 -4.6580700000e-01 -1.3394050000e+00 -1.1059390000e+00 -1.3656660000e+00 -1.3229100000e-01 -9.4774500000e-01  1.1844070000e+00  9.0921300000e-01  6.4361500000e-01  3.5383600000e-01  8.6171500000e-01  1.7019500000e-01  1.3343310000e+00  1.8458630000e+00  7.7184200000e-01
+ENERGY -1.526541314667e+02
+FORCES  1.4478000000e-03 -1.3163000000e-03 -4.7329000000e-03 -3.9126000000e-03  2.3211000000e-03  2.3708000000e-03  3.5511000000e-03 -1.9953000000e-03  4.1163000000e-03 -3.8885000000e-03  1.6660000000e-03 -2.6900000000e-05  4.0859000000e-03  3.3822000000e-03 -8.4580000000e-04 -1.2836000000e-03 -4.0577000000e-03 -8.8160000000e-04
+
+JOB 46
+COORDS  6.6859700000e-01 -8.6277400000e-01 -1.2444720000e+00  1.2534490000e+00 -9.9765600000e-01 -4.9882600000e-01 -1.4392000000e-01 -1.3029410000e+00 -9.9486800000e-01 -6.9140300000e-01  9.4144500000e-01  1.1704770000e+00 -1.7757900000e-01  3.2383100000e-01  6.5012200000e-01 -5.4352300000e-01  6.7252500000e-01  2.0771440000e+00
+ENERGY -1.526546376623e+02
+FORCES  1.9780000000e-04 -5.1975000000e-03  2.9300000000e-05 -5.2553000000e-03  2.9675000000e-03 -1.7558000000e-03  4.6840000000e-03  3.9676000000e-03  6.9040000000e-04  3.1551000000e-03 -2.2373000000e-03 -6.5720000000e-04 -2.6890000000e-03  1.5530000000e-04  6.0527000000e-03 -9.2600000000e-05  3.4440000000e-04 -4.3595000000e-03
+
+JOB 47
+COORDS  3.8782000000e-02  6.1308500000e-01 -1.5870700000e+00 -1.4140100000e-01  1.5450000000e-02 -8.6139900000e-01 -1.6704500000e-01  1.0597000000e-01 -2.3723730000e+00 -1.4710000000e-03 -5.8426900000e-01  1.5392690000e+00  3.4792600000e-01  2.3502000000e-01  1.8898680000e+00 -6.7038700000e-01 -8.4950200000e-01  2.1704860000e+00
+ENERGY -1.526597924995e+02
+FORCES -1.3214000000e-03 -5.3266000000e-03  1.9725000000e-03  6.2450000000e-04  4.2433000000e-03 -7.5623000000e-03  5.2910000000e-04  1.6625000000e-03  2.9086000000e-03 -8.8120000000e-04  2.2159000000e-03  6.5176000000e-03 -2.0694000000e-03 -4.0763000000e-03 -1.3919000000e-03  3.1185000000e-03  1.2813000000e-03 -2.4445000000e-03
+
+JOB 48
+COORDS -2.9642600000e-01 -1.7063430000e+00 -2.8523000000e-01 -3.4559900000e-01 -1.4475880000e+00  6.3502000000e-01 -8.8718200000e-01 -1.1030260000e+00 -7.3606000000e-01  3.7015200000e-01  1.7015110000e+00  2.2726200000e-01  6.2312700000e-01  1.1215060000e+00  9.4547500000e-01 -5.4159700000e-01  1.4741280000e+00  4.4934000000e-02
+ENERGY -1.526517141931e+02
+FORCES -2.0515000000e-03  3.4842000000e-03  7.9840000000e-04  5.1160000000e-04  2.1320000000e-04 -3.5765000000e-03  1.7943000000e-03 -1.9986000000e-03  2.8099000000e-03 -1.4321000000e-03 -3.7535000000e-03  1.7954000000e-03 -2.1115000000e-03  2.2844000000e-03 -2.3572000000e-03  3.2892000000e-03 -2.2970000000e-04  5.3000000000e-04
+
+JOB 49
+COORDS  6.8254200000e-01 -1.1670480000e+00  1.0827520000e+00  6.7720000000e-01 -9.3212600000e-01  2.0106600000e+00  7.2148600000e-01 -2.1234420000e+00  1.0775470000e+00 -6.4103600000e-01  1.2415570000e+00 -1.1641730000e+00 -1.5490740000e+00  1.4790140000e+00 -9.7625900000e-01 -5.2686600000e-01  3.8497400000e-01 -7.5251400000e-01
+ENERGY -1.526580014973e+02
+FORCES  1.8640000000e-03 -3.3249000000e-03  5.3423000000e-03 -1.6360000000e-04 -1.6545000000e-03 -3.8995000000e-03 -4.1850000000e-04  4.2583000000e-03  1.4820000000e-04 -1.6579000000e-03 -3.9265000000e-03  3.6101000000e-03  3.2687000000e-03 -7.6040000000e-04 -6.0230000000e-04 -2.8927000000e-03  5.4081000000e-03 -4.5988000000e-03
+
+JOB 50
+COORDS -8.9673700000e-01 -1.0672600000e+00  1.1730390000e+00 -7.2260700000e-01 -1.2541740000e+00  2.0955210000e+00 -9.2262600000e-01 -1.1174500000e-01  1.1225140000e+00  9.0392300000e-01  1.0250730000e+00 -1.1652600000e+00  1.4568010000e+00  9.0510300000e-01 -1.9373770000e+00  1.8139000000e-02  1.1167950000e+00 -1.5162670000e+00
+ENERGY -1.526544458000e+02
+FORCES  2.5048000000e-03  3.8637000000e-03  3.1341000000e-03 -8.5130000000e-04  5.2900000000e-04 -3.5520000000e-03 -2.0735000000e-03 -3.9506000000e-03  4.1390000000e-04 -7.0330000000e-04 -1.6249000000e-03 -5.3868000000e-03 -2.2109000000e-03  8.8820000000e-04  2.9697000000e-03  3.3342000000e-03  2.9460000000e-04  2.4211000000e-03
+
+JOB 51
+COORDS  4.4499600000e-01 -1.7804300000e+00 -2.4371300000e-01  6.0865900000e-01 -2.4890310000e+00  3.7864600000e-01  3.7550000000e-01 -9.9529400000e-01  2.9939200000e-01 -4.2809100000e-01  1.8232780000e+00  1.3002800000e-01 -1.3166960000e+00  1.7260560000e+00  4.7231400000e-01  7.8632000000e-02  1.1492440000e+00  5.8295400000e-01
+ENERGY -1.526510075713e+02
+FORCES  5.2230000000e-04 -3.4830000000e-04  4.2356000000e-03 -9.0110000000e-04  3.3374000000e-03 -2.8612000000e-03  4.3050000000e-04 -9.8980000000e-04 -7.3060000000e-04 -2.2945000000e-03 -1.9379000000e-03  2.8151000000e-03  4.3393000000e-03  3.9450000000e-04 -1.2876000000e-03 -2.0965000000e-03 -4.5590000000e-04 -2.1712000000e-03
+
+JOB 52
+COORDS -1.0262020000e+00  1.2203660000e+00  9.7960400000e-01 -8.5610700000e-01  7.0380200000e-01  1.9191100000e-01 -8.4367200000e-01  2.1230470000e+00  7.1867800000e-01  1.0333120000e+00 -1.1975640000e+00 -8.8425500000e-01  7.3424400000e-01 -1.0642480000e+00 -1.7837090000e+00  8.9684200000e-01 -2.1309590000e+00 -7.2183100000e-01
+ENERGY -1.526559778460e+02
+FORCES  3.3906000000e-03  1.0110000000e-04 -4.3851000000e-03 -3.6429000000e-03  4.0940000000e-03  2.8994000000e-03 -9.5740000000e-04 -3.3166000000e-03  8.6940000000e-04  3.2330000000e-04 -5.4941000000e-03 -2.8241000000e-03  2.9110000000e-04  4.6580000000e-04  4.6383000000e-03  5.9530000000e-04  4.1499000000e-03 -1.1979000000e-03
+
+JOB 53
+COORDS -1.5580580000e+00 -1.0296120000e+00  3.8966800000e-01 -1.4650640000e+00 -1.5462390000e+00 -4.1075600000e-01 -6.6282400000e-01 -9.2108000000e-01  7.1061900000e-01  1.5052400000e+00  9.9534000000e-01 -3.3099500000e-01  1.0149570000e+00  1.1437270000e+00 -1.1395960000e+00  1.8324530000e+00  1.8609950000e+00 -8.6448000000e-02
+ENERGY -1.526567805782e+02
+FORCES  5.3586000000e-03 -1.1987000000e-03 -1.2062000000e-03 -6.5000000000e-04  2.2626000000e-03  2.6694000000e-03 -5.4906000000e-03 -1.9862000000e-03 -9.7240000000e-04 -4.9030000000e-04  5.5249000000e-03 -2.4408000000e-03  2.5089000000e-03 -1.0679000000e-03  3.2392000000e-03 -1.2366000000e-03 -3.5347000000e-03 -1.2892000000e-03
+
+JOB 54
+COORDS -9.0486200000e-01  1.6143450000e+00 -8.5556000000e-02 -1.3401740000e+00  1.9592730000e+00  6.9403400000e-01 -1.5832410000e+00  1.1118280000e+00 -5.3667700000e-01  1.0165970000e+00 -1.6118880000e+00  1.1021800000e-01  3.3364000000e-01 -2.2303680000e+00 -1.4917200000e-01  8.6541400000e-01 -8.4298400000e-01 -4.3947600000e-01
+ENERGY -1.526554200823e+02
+FORCES -5.1237000000e-03  5.2250000000e-04  3.0311000000e-03  1.3173000000e-03 -1.1198000000e-03 -3.7060000000e-03  3.6640000000e-03  1.2477000000e-03  1.4970000000e-03 -3.3047000000e-03  2.4525000000e-03 -2.8841000000e-03  2.3341000000e-03  2.4357000000e-03  9.7920000000e-04  1.1129000000e-03 -5.5386000000e-03  1.0828000000e-03
+
+JOB 55
+COORDS -1.8402120000e+00 -3.1729600000e-01  3.0714300000e-01 -2.3661750000e+00 -1.6249600000e-01 -4.7747900000e-01 -1.5607470000e+00  5.5511100000e-01  5.8469900000e-01  1.8953220000e+00  2.0055900000e-01 -2.8318100000e-01  2.0246210000e+00  1.0705160000e+00 -6.6092100000e-01  1.0706530000e+00  2.6803400000e-01  1.9806800000e-01
+ENERGY -1.526540267719e+02
+FORCES -3.3357000000e-03  3.4859000000e-03 -2.8257000000e-03  2.1003000000e-03 -4.2330000000e-04  3.7560000000e-03  1.2515000000e-03 -4.1351000000e-03 -1.5207000000e-03 -3.4361000000e-03  2.3675000000e-03  3.8010000000e-04 -9.4450000000e-04 -3.4188000000e-03  1.6069000000e-03  4.3646000000e-03  2.1238000000e-03 -1.3966000000e-03
+
+JOB 56
+COORDS  1.8201930000e+00 -4.2525000000e-01  1.1963200000e-01  2.5530130000e+00 -2.8504100000e-01  7.1925700000e-01  2.1775130000e+00 -2.2820000000e-01 -7.4623500000e-01 -1.9328820000e+00  3.5987200000e-01 -9.6599000000e-02 -1.0320470000e+00  3.0562700000e-01  2.2244000000e-01 -1.9765110000e+00  1.2015760000e+00 -5.5031900000e-01
+ENERGY -1.526572415440e+02
+FORCES  6.1984000000e-03  1.8390000000e-04 -1.1881000000e-03 -3.0438000000e-03 -4.7810000000e-04 -2.8212000000e-03 -1.5707000000e-03 -3.8630000000e-04  3.9411000000e-03  4.9212000000e-03  2.2956000000e-03 -3.5500000000e-05 -6.5523000000e-03  1.4692000000e-03 -1.3917000000e-03  4.7200000000e-05 -3.0842000000e-03  1.4955000000e-03
+
+JOB 57
+COORDS  7.7126100000e-01 -1.7475940000e+00 -6.9147100000e-01  1.7189830000e+00 -1.7881690000e+00 -8.1957000000e-01  6.4818100000e-01 -1.0746830000e+00 -2.1938000000e-02 -7.6771400000e-01  1.6784600000e+00  6.8215600000e-01 -7.7437600000e-01  2.3979790000e+00  5.0904000000e-02 -1.6878420000e+00  1.5554070000e+00  9.1551200000e-01
+ENERGY -1.526568232900e+02
+FORCES  2.7252000000e-03  3.7809000000e-03  2.7035000000e-03 -3.5390000000e-03  6.5000000000e-05  3.3160000000e-04  1.5115000000e-03 -5.0665000000e-03 -3.0489000000e-03 -4.6114000000e-03  3.3721000000e-03 -2.0031000000e-03 -4.9000000000e-05 -2.7797000000e-03  2.9010000000e-03  3.9626000000e-03  6.2820000000e-04 -8.8420000000e-04
+
+JOB 58
+COORDS -9.8350000000e-03 -2.5567000000e-01  1.9834760000e+00 -6.6595000000e-02 -3.3667200000e-01  2.9355520000e+00 -9.0014600000e-01 -4.2390300000e-01  1.6748060000e+00  6.3020000000e-02  2.0300900000e-01 -2.0163830000e+00  6.0443200000e-01  8.0809000000e-01 -2.5233170000e+00 -5.3817000000e-01  7.6797000000e-01 -1.5309730000e+00
+ENERGY -1.526536453123e+02
+FORCES -3.6575000000e-03 -1.9735000000e-03  2.5591000000e-03  3.3830000000e-04  3.8760000000e-04 -4.0023000000e-03  3.3787000000e-03  1.5922000000e-03  1.2801000000e-03  8.0080000000e-04  5.0734000000e-03  8.1610000000e-04 -2.3325000000e-03 -2.4652000000e-03  1.6825000000e-03  1.4722000000e-03 -2.6145000000e-03 -2.3355000000e-03
+
+JOB 59
+COORDS  2.4198800000e-01  1.8687750000e+00 -7.4070200000e-01 -6.7759600000e-01  2.0732980000e+00 -9.1031600000e-01  6.3741500000e-01  1.8026950000e+00 -1.6098990000e+00 -1.6705600000e-01 -1.8932010000e+00  8.1037600000e-01 -4.2882200000e-01 -1.3134660000e+00  9.5101000000e-02 -9.8673100000e-01 -2.1136510000e+00  1.2528310000e+00
+ENERGY -1.526545875923e+02
+FORCES -1.1331000000e-03  2.4563000000e-03 -4.3267000000e-03  3.7561000000e-03 -1.8505000000e-03  8.4860000000e-04 -2.0773000000e-03 -9.7300000000e-05  3.7907000000e-03 -3.7203000000e-03  2.8768000000e-03 -1.0469000000e-03  4.6800000000e-05 -4.2109000000e-03  2.5602000000e-03  3.1279000000e-03  8.2570000000e-04 -1.8260000000e-03
+
+JOB 60
+COORDS -1.7930200000e-01  5.1215000000e-01  1.9711650000e+00  1.9632600000e-01 -8.4787000000e-02  2.6183130000e+00  2.7619500000e-01  1.3413550000e+00  2.1166790000e+00  1.2783700000e-01 -5.0803000000e-01 -1.9546950000e+00 -5.9812200000e-01 -7.9971600000e-01 -2.5061790000e+00  8.9087300000e-01 -5.2748700000e-01 -2.5323020000e+00
+ENERGY -1.526526703964e+02
+FORCES  3.7924000000e-03  7.2580000000e-04  2.2187000000e-03 -1.6481000000e-03  2.4474000000e-03 -2.3970000000e-03 -1.9282000000e-03 -3.2353000000e-03 -2.4120000000e-04 -3.2230000000e-04 -1.2709000000e-03 -4.2818000000e-03  3.1102000000e-03  1.1584000000e-03  2.1383000000e-03 -3.0040000000e-03  1.7460000000e-04  2.5630000000e-03
+
+JOB 61
+COORDS -3.3632500000e-01  4.0294100000e-01  2.0308680000e+00 -2.6136000000e-01  1.2082330000e+00  1.5188930000e+00 -1.2415940000e+00  3.9966600000e-01  2.3418490000e+00  3.4579100000e-01 -4.1102200000e-01 -2.0617260000e+00  1.0112540000e+00 -1.0712430000e+00 -2.2553740000e+00  3.0461200000e-01 -3.8498000000e-01 -1.1057670000e+00
+ENERGY -1.526561654845e+02
+FORCES -4.1310000000e-03  4.0305000000e-03  1.0013000000e-03 -7.0500000000e-05 -4.3857000000e-03  1.4202000000e-03  3.9580000000e-03  1.0660000000e-04 -1.2918000000e-03  2.5527000000e-03 -3.2728000000e-03  3.6915000000e-03 -2.6109000000e-03  2.6393000000e-03  5.0970000000e-04  3.0170000000e-04  8.8220000000e-04 -5.3309000000e-03
+
+JOB 62
+COORDS -4.3084000000e-01 -2.0924710000e+00 -2.8198000000e-02  4.2038600000e-01 -2.3687810000e+00 -3.6775500000e-01 -7.2654300000e-01 -1.4191270000e+00 -6.4089700000e-01  4.0588000000e-01  2.0979400000e+00  3.3222000000e-02  1.0823220000e+00  1.7332560000e+00  6.0389100000e-01 -4.1738800000e-01  1.8978210000e+00  4.7865900000e-01
+ENERGY -1.526555740722e+02
+FORCES  2.3792000000e-03  1.4410000000e-03 -4.7521000000e-03 -3.3886000000e-03  9.9050000000e-04  1.6719000000e-03  7.6710000000e-04 -3.0604000000e-03  3.1381000000e-03 -4.3770000000e-04 -1.8908000000e-03  5.2084000000e-03 -2.5462000000e-03  1.7013000000e-03 -2.7358000000e-03  3.2261000000e-03  8.1840000000e-04 -2.5306000000e-03
+
+JOB 63
+COORDS -7.0681600000e-01 -1.8556090000e+00  8.6883500000e-01 -4.2499400000e-01 -2.0075660000e+00 -3.3227000000e-02 -4.0771300000e-01 -9.6830200000e-01  1.0674660000e+00  6.5598300000e-01  1.8778530000e+00 -8.4473500000e-01  5.7758900000e-01  1.1100930000e+00 -1.4109780000e+00  1.1189880000e+00  1.5585420000e+00 -7.0203000000e-02
+ENERGY -1.526530875370e+02
+FORCES  1.3964000000e-03  2.8838000000e-03 -2.6054000000e-03 -7.1890000000e-04  1.1095000000e-03  3.6708000000e-03 -2.2360000000e-04 -3.9522000000e-03 -1.0961000000e-03  2.3855000000e-03 -3.1829000000e-03 -4.7900000000e-05  8.4400000000e-05  2.6695000000e-03  3.1669000000e-03 -2.9237000000e-03  4.7220000000e-04 -3.0883000000e-03
+
+JOB 64
+COORDS -1.3197400000e+00  1.3420180000e+00 -9.7576800000e-01 -5.4639500000e-01  1.4273680000e+00 -4.1819800000e-01 -1.9642500000e+00  1.9314250000e+00 -5.8405700000e-01  1.3728600000e+00 -1.4201670000e+00  9.3756800000e-01  1.3574220000e+00 -5.0296900000e-01  6.6417700000e-01  4.5206400000e-01 -1.6477480000e+00  1.0663020000e+00
+ENERGY -1.526533217996e+02
+FORCES -1.5220000000e-04  3.9594000000e-03  3.2622000000e-03 -2.5490000000e-03 -1.7136000000e-03 -1.7212000000e-03  2.8402000000e-03 -2.7100000000e-03 -1.6657000000e-03 -4.1467000000e-03  1.9866000000e-03 -1.2364000000e-03 -2.5100000000e-04 -2.6863000000e-03  1.3443000000e-03  4.2588000000e-03  1.1639000000e-03  1.6700000000e-05
+
+JOB 65
+COORDS -1.3513090000e+00 -2.6147700000e-01  1.6319830000e+00 -1.4503890000e+00 -1.1659100000e-01  6.9101400000e-01 -2.1063870000e+00 -7.9814100000e-01  1.8729830000e+00  1.3935900000e+00  3.4659800000e-01 -1.5963820000e+00  1.1912830000e+00 -1.8562600000e-01 -8.2694000000e-01  1.7598820000e+00 -2.7310900000e-01 -2.2272750000e+00
+ENERGY -1.526551033229e+02
+FORCES -4.6518000000e-03 -8.9150000000e-04 -2.3978000000e-03  1.3978000000e-03 -1.5721000000e-03  4.1929000000e-03  3.1745000000e-03  2.2033000000e-03 -1.0390000000e-03  1.9066000000e-03 -4.6553000000e-03  9.2990000000e-04 -1.8600000000e-04  2.3646000000e-03 -4.2383000000e-03 -1.6411000000e-03  2.5511000000e-03  2.5522000000e-03
+
+JOB 66
+COORDS  1.6414490000e+00  1.4380520000e+00  7.8847000000e-02  1.4024430000e+00  1.0369260000e+00 -7.5674000000e-01  8.8920900000e-01  1.9843730000e+00  3.0666600000e-01 -1.5797220000e+00 -1.5011330000e+00 -7.5504000000e-02 -1.8322310000e+00 -6.1956800000e-01 -3.4993700000e-01 -1.3395950000e+00 -1.4060050000e+00  8.4619100000e-01
+ENERGY -1.526541293106e+02
+FORCES -3.2766000000e-03  4.7770000000e-04 -3.0491000000e-03  7.4620000000e-04  2.2949000000e-03  3.6929000000e-03  2.6073000000e-03 -2.6637000000e-03 -7.5680000000e-04 -5.7900000000e-05  3.4560000000e-03  3.3939000000e-03  1.5020000000e-03 -3.2088000000e-03  7.4300000000e-04 -1.5210000000e-03 -3.5610000000e-04 -4.0239000000e-03
+
+JOB 67
+COORDS -4.5518400000e-01 -1.9770330000e+00  6.8030700000e-01 -7.3394400000e-01 -2.7518220000e+00  1.1683920000e+00 -1.0785650000e+00 -1.2964130000e+00  9.3404800000e-01  5.0199100000e-01  2.0358820000e+00 -7.6089000000e-01  1.2627010000e+00  1.4628330000e+00 -6.6514400000e-01 -1.5704500000e-01  1.6593320000e+00 -1.7769700000e-01
+ENERGY -1.526543522779e+02
+FORCES -4.1707000000e-03 -1.7021000000e-03  3.1557000000e-03  1.1237000000e-03  3.3267000000e-03 -2.0471000000e-03  3.2286000000e-03 -1.7676000000e-03 -1.2449000000e-03  9.2480000000e-04 -4.7140000000e-03  2.5025000000e-03 -2.9852000000e-03  3.1634000000e-03 -4.2090000000e-04  1.8788000000e-03  1.6936000000e-03 -1.9452000000e-03
+
+JOB 68
+COORDS  1.7285880000e+00  4.7029700000e-01 -1.2583830000e+00  2.4492180000e+00  7.0861100000e-01 -6.7517600000e-01  2.0587460000e+00  6.5815300000e-01 -2.1369830000e+00 -1.8088150000e+00 -4.4997800000e-01  1.2352180000e+00 -2.1459260000e+00 -7.2391800000e-01  2.0881810000e+00 -1.0600960000e+00 -1.0250100000e+00  1.0771350000e+00
+ENERGY -1.526542836707e+02
+FORCES  4.0734000000e-03  2.4697000000e-03 -1.5726000000e-03 -2.9122000000e-03 -1.3414000000e-03 -2.3120000000e-03 -1.1769000000e-03 -8.2290000000e-04  3.6630000000e-03  2.3421000000e-03 -3.3581000000e-03  1.9564000000e-03  1.3756000000e-03  1.2027000000e-03 -3.3824000000e-03 -3.7021000000e-03  1.8499000000e-03  1.6476000000e-03
+
+JOB 69
+COORDS -6.1252500000e-01 -1.8673080000e+00 -1.0861890000e+00 -1.0801450000e+00 -2.6933450000e+00 -1.2095810000e+00  7.9022000000e-02 -2.0745860000e+00 -4.5767400000e-01  6.2455300000e-01  1.8725090000e+00  1.0183270000e+00 -7.2895000000e-02  1.7909340000e+00  1.6688230000e+00  8.8399600000e-01  2.7929890000e+00  1.0587900000e+00
+ENERGY -1.526539278278e+02
+FORCES  1.6071000000e-03 -3.6744000000e-03  2.1715000000e-03  1.7752000000e-03  3.4569000000e-03  5.1860000000e-04 -3.2157000000e-03  8.9800000000e-05 -2.6168000000e-03 -2.3379000000e-03  3.5445000000e-03  2.2747000000e-03  3.1740000000e-03  3.3700000000e-04 -2.2833000000e-03 -1.0028000000e-03 -3.7538000000e-03 -6.4800000000e-05
+
+JOB 70
+COORDS  3.2295100000e-01  1.1108620000e+00  2.0394520000e+00 -6.0725300000e-01  1.2256840000e+00  2.2337930000e+00  4.2994800000e-01  1.6625200000e-01  1.9276680000e+00 -2.7222600000e-01 -1.1159070000e+00 -1.9952320000e+00  8.4034000000e-02 -1.1811600000e+00 -2.8812640000e+00 -6.9926200000e-01 -2.5959400000e-01 -1.9707370000e+00
+ENERGY -1.526550409807e+02
+FORCES -3.0002000000e-03 -4.0058000000e-03  3.7330000000e-04  3.6563000000e-03 -2.3390000000e-04 -1.0020000000e-03 -5.5700000000e-04  4.3155000000e-03  1.0287000000e-03  7.7600000000e-05  3.5494000000e-03 -3.8312000000e-03 -1.5595000000e-03  2.3030000000e-04  3.5408000000e-03  1.3827000000e-03 -3.8555000000e-03 -1.0950000000e-04
+
+JOB 71
+COORDS -3.9919500000e-01  1.3682620000e+00 -1.9706540000e+00 -6.2410000000e-03  5.1571200000e-01 -1.7836320000e+00 -1.1340290000e+00  1.4328230000e+00 -1.3606680000e+00  3.6928800000e-01 -1.3495680000e+00  1.9557720000e+00  1.2189110000e+00 -1.0561100000e+00  2.2847950000e+00  4.0146700000e-01 -1.1716360000e+00  1.0158060000e+00
+ENERGY -1.526533957528e+02
+FORCES -2.0757000000e-03 -2.7939000000e-03  2.7531000000e-03 -1.2289000000e-03  3.2271000000e-03  7.7400000000e-05  3.4760000000e-03 -4.9200000000e-04 -2.6203000000e-03  4.1917000000e-03  1.7689000000e-03 -1.8585000000e-03 -3.6873000000e-03 -1.3260000000e-03 -1.4775000000e-03 -6.7590000000e-04 -3.8410000000e-04  3.1257000000e-03
+
+JOB 72
+COORDS  2.0637900000e-01  2.3170220000e+00  1.1585600000e-01 -7.2306400000e-01  2.5277880000e+00  2.0500000000e-01  6.6087600000e-01  3.0839620000e+00  4.6437900000e-01 -2.0473300000e-01 -2.3394400000e+00 -8.2272000000e-02  1.6771300000e-01 -1.8697680000e+00 -8.2854600000e-01 -1.6401000000e-01 -3.2618660000e+00 -3.3466600000e-01
+ENERGY -1.526544279150e+02
+FORCES -2.1388000000e-03  3.7844000000e-03  2.3842000000e-03  3.8902000000e-03 -5.5920000000e-04 -6.2570000000e-04 -1.8476000000e-03 -3.0419000000e-03 -1.5236000000e-03  2.0738000000e-03 -1.0539000000e-03 -4.0725000000e-03 -1.7707000000e-03 -2.8144000000e-03  2.7601000000e-03 -2.0700000000e-04  3.6851000000e-03  1.0775000000e-03
+
+JOB 73
+COORDS -5.7891600000e-01 -4.2254600000e-01 -2.2505500000e+00 -4.0837500000e-01 -1.3227630000e+00 -2.5276010000e+00 -3.8785100000e-01  1.0706700000e-01 -3.0246540000e+00  5.4533900000e-01  4.9645200000e-01  2.3423810000e+00  1.2124760000e+00 -1.6544900000e-01  2.5241690000e+00  1.0084200000e-01  1.7954700000e-01  1.5561080000e+00
+ENERGY -1.526553854128e+02
+FORCES  1.2549000000e-03 -1.1470000000e-03 -5.1173000000e-03 -5.7200000000e-04  3.7026000000e-03  1.4348000000e-03 -7.9060000000e-04 -2.4301000000e-03  3.1016000000e-03  5.6860000000e-04 -3.8286000000e-03 -3.3048000000e-03 -2.5242000000e-03  2.5475000000e-03 -5.2080000000e-04  2.0634000000e-03  1.1555000000e-03  4.4066000000e-03
+
+JOB 74
+COORDS  3.9390400000e-01  1.5006500000e+00 -1.9367400000e+00  1.3110060000e+00  1.5784860000e+00 -2.1996050000e+00 -8.1384000000e-02  2.0528430000e+00 -2.5575600000e+00 -3.7733700000e-01 -1.4758420000e+00  2.0086270000e+00 -5.2461500000e-01 -2.2489640000e+00  2.5534420000e+00 -8.5338400000e-01 -1.6588420000e+00  1.1986130000e+00
+ENERGY -1.526541148735e+02
+FORCES  2.1578000000e-03  2.8219000000e-03 -3.2609000000e-03 -3.8462000000e-03 -3.0080000000e-04  8.1540000000e-04  1.8660000000e-03 -2.3731000000e-03  2.4997000000e-03 -2.5587000000e-03 -3.4144000000e-03 -1.7227000000e-03  6.5000000000e-04  3.1300000000e-03 -2.1403000000e-03  1.7311000000e-03  1.3650000000e-04  3.8087000000e-03
+
+JOB 75
+COORDS -1.0264840000e+00  2.1561480000e+00 -9.0574100000e-01 -4.7922200000e-01  1.4844630000e+00 -1.3126510000e+00 -7.1118500000e-01  2.9800670000e+00 -1.2771910000e+00  9.2990100000e-01 -2.1308000000e+00  9.2320200000e-01  1.7534950000e+00 -2.2998870000e+00  4.6567000000e-01  1.0375190000e+00 -2.5535370000e+00  1.7752260000e+00
+ENERGY -1.526540557261e+02
+FORCES  3.6241000000e-03 -8.6200000000e-05 -2.8088000000e-03 -2.2248000000e-03  3.3555000000e-03  1.0703000000e-03 -1.2647000000e-03 -3.2676000000e-03  1.5079000000e-03  3.5837000000e-03 -2.5107000000e-03  2.2087000000e-03 -3.4295000000e-03  9.1930000000e-04  1.6095000000e-03 -2.8870000000e-04  1.5896000000e-03 -3.5876000000e-03
+
+JOB 76
+COORDS  5.0501100000e-01  1.2085200000e+00 -2.3329780000e+00  8.6632700000e-01  1.0219200000e+00 -1.4664550000e+00 -2.9602900000e-01  1.7023350000e+00 -2.1577280000e+00 -4.7165800000e-01 -1.1883790000e+00  2.3267020000e+00 -1.1855970000e+00 -1.7913990000e+00  2.1196030000e+00  1.1182500000e-01 -1.2382070000e+00  1.5695380000e+00
+ENERGY -1.526541560604e+02
+FORCES -1.7919000000e-03  1.9789000000e-03  4.1689000000e-03 -1.5042000000e-03  6.5700000000e-05 -3.4821000000e-03  3.3145000000e-03 -2.2240000000e-03 -8.2280000000e-04 -6.5990000000e-04 -3.3933000000e-03 -3.6225000000e-03  2.9639000000e-03  2.6395000000e-03  8.6710000000e-04 -2.3224000000e-03  9.3320000000e-04  2.8915000000e-03
+
+JOB 77
+COORDS  2.3959390000e+00 -1.2897110000e+00  4.4139200000e-01  1.4731040000e+00 -1.2975590000e+00  1.8733300000e-01  2.8521660000e+00 -9.3680200000e-01 -3.2250900000e-01 -2.3693690000e+00  1.2319000000e+00 -4.4117800000e-01 -3.1220440000e+00  1.7202800000e+00 -1.0771700000e-01 -1.6598920000e+00  1.4398390000e+00  1.6679800000e-01
+ENERGY -1.526546133662e+02
+FORCES -1.8956000000e-03  9.4720000000e-04 -4.5000000000e-03  3.9212000000e-03  3.9530000000e-04  1.4067000000e-03 -1.8076000000e-03 -1.3175000000e-03  3.2445000000e-03 -6.6170000000e-04  3.2044000000e-03  3.9786000000e-03  3.1217000000e-03 -1.9744000000e-03 -1.3796000000e-03 -2.6780000000e-03 -1.2551000000e-03 -2.7502000000e-03
+
+JOB 78
+COORDS -1.2886860000e+00 -6.0039000000e-02 -2.4620000000e+00 -1.7394320000e+00 -4.3266700000e-01 -3.2197660000e+00 -1.3065390000e+00 -7.5659400000e-01 -1.8057040000e+00  1.3259760000e+00  7.2380000000e-02  2.4495330000e+00  1.8602090000e+00  4.8735500000e-01  3.1267500000e+00  6.9209200000e-01  7.4430100000e-01  2.1986460000e+00
+ENERGY -1.526545160085e+02
+FORCES -1.6404000000e-03 -4.6182000000e-03 -4.4830000000e-04  1.7826000000e-03  1.5407000000e-03  3.0567000000e-03 -2.2170000000e-04  3.0632000000e-03 -2.7355000000e-03 -2.2140000000e-04  4.7056000000e-03  1.5676000000e-03 -2.1859000000e-03 -1.7099000000e-03 -2.6763000000e-03  2.4869000000e-03 -2.9815000000e-03  1.2358000000e-03
+
+JOB 79
+COORDS  1.5659150000e+00 -6.7499700000e-01 -2.2204020000e+00  1.7000530000e+00  6.5301000000e-02 -2.8121780000e+00  2.2967520000e+00 -6.2519400000e-01 -1.6042620000e+00 -1.6568650000e+00  6.0517200000e-01  2.2561740000e+00 -1.5401620000e+00  5.0858200000e-01  1.3110380000e+00 -9.6010200000e-01  1.2043450000e+00  2.5240260000e+00
+ENERGY -1.526544474655e+02
+FORCES  3.9896000000e-03  2.7919000000e-03 -3.9980000000e-04 -6.9020000000e-04 -2.9494000000e-03  2.6605000000e-03 -3.2376000000e-03  3.1700000000e-05 -2.3954000000e-03  3.2670000000e-03  1.7530000000e-03 -3.0871000000e-03 -5.9660000000e-04  7.2220000000e-04  4.2207000000e-03 -2.7322000000e-03 -2.3494000000e-03 -9.9900000000e-04
+
+JOB 80
+COORDS -2.7136040000e+00 -8.4575800000e-01  6.4445000000e-02 -3.5655810000e+00 -1.2803880000e+00  2.6182000000e-02 -2.7676210000e+00 -1.5335100000e-01 -5.9425600000e-01  2.7435570000e+00  8.7854600000e-01 -5.8742000000e-02  3.4738080000e+00  3.0246300000e-01 -2.8478000000e-01  2.4368710000e+00  5.5603000000e-01  7.8870100000e-01
+ENERGY -1.526544641806e+02
+FORCES -3.5712000000e-03  1.2328000000e-03 -3.0512000000e-03  3.4633000000e-03  1.7272000000e-03  1.8530000000e-04 -3.4200000000e-05 -2.9336000000e-03  2.7761000000e-03  1.3819000000e-03 -3.9324000000e-03  2.6485000000e-03 -2.8399000000e-03  2.4022000000e-03  8.7120000000e-04  1.6001000000e-03  1.5038000000e-03 -3.4299000000e-03
+
+JOB 81
+COORDS -2.1381900000e-01  3.0974170000e+00 -4.5595200000e-01 -7.3109300000e-01  3.3806620000e+00  2.9799200000e-01  3.8286700000e-01  2.4372670000e+00 -1.0324900000e-01  2.4709200000e-01 -3.1232870000e+00  3.5200200000e-01  5.5336100000e-01 -2.5980540000e+00  1.0913000000e+00 -6.5959700000e-01 -2.8462610000e+00  2.2008200000e-01
+ENERGY -1.526538264407e+02
+FORCES  5.1980000000e-04 -1.2845000000e-03  4.3528000000e-03  2.0928000000e-03 -1.3411000000e-03 -3.0654000000e-03 -2.6328000000e-03  2.5842000000e-03 -1.2679000000e-03 -2.5929000000e-03  2.9847000000e-03  2.3543000000e-03 -1.2125000000e-03 -1.8927000000e-03 -3.0568000000e-03  3.8256000000e-03 -1.0505000000e-03  6.8310000000e-04
+
+JOB 82
+COORDS  2.0674900000e+00  2.9150070000e+00 -7.9752200000e-01  2.0369450000e+00  3.1251910000e+00  1.3581700000e-01  2.6451650000e+00  3.5787990000e+00 -1.1742230000e+00 -2.1616470000e+00 -2.9686000000e+00  7.4478700000e-01 -1.6626080000e+00 -2.1614130000e+00  8.6984500000e-01 -1.5315920000e+00 -3.6689780000e+00  9.1429500000e-01
+ENERGY -1.526542082110e+02
+FORCES  2.2661000000e-03  3.7590000000e-03  2.1175000000e-03  8.5400000000e-05 -1.0115000000e-03 -3.7609000000e-03 -2.3458000000e-03 -2.7286000000e-03  1.5861000000e-03  4.7060000000e-03  5.6590000000e-04  9.7630000000e-04 -2.1131000000e-03 -3.3726000000e-03 -3.0740000000e-04 -2.5985000000e-03  2.7878000000e-03 -6.1160000000e-04
+
+JOB 83
+COORDS -9.7398200000e-01 -3.5638800000e+00 -1.0600020000e+00 -5.3232600000e-01 -4.3900950000e+00 -8.6368500000e-01 -4.4153700000e-01 -3.1647120000e+00 -1.7480430000e+00  8.6134100000e-01  3.6305530000e+00  1.0948660000e+00  1.0574470000e+00  3.1028840000e+00  3.2069600000e-01  1.6099770000e+00  3.4927020000e+00  1.6751870000e+00
+ENERGY -1.526539337149e+02
+FORCES  3.8489000000e-03 -1.8446000000e-03 -2.0255000000e-03 -1.7653000000e-03  3.4191000000e-03 -8.0120000000e-04 -2.0985000000e-03 -1.5453000000e-03  2.8526000000e-03  3.7254000000e-03 -2.8339000000e-03 -7.2470000000e-04 -7.0520000000e-04  2.2051000000e-03  3.0934000000e-03 -3.0052000000e-03  5.9960000000e-04 -2.3945000000e-03
+
+JOB 84
+COORDS -3.9355050000e+00  2.3167500000e-01  3.6760100000e-01 -3.8496740000e+00 -6.8248100000e-01  6.3812700000e-01 -4.1146830000e+00  1.8818000000e-01 -5.7167300000e-01  3.8969570000e+00 -1.3500200000e-01 -3.5636600000e-01  4.5329350000e+00  6.7074000000e-02  3.2987600000e-01  4.0385490000e+00 -1.0617760000e+00 -5.4942800000e-01
+ENERGY -1.526539589314e+02
+FORCES -1.4700000000e-04 -3.8506000000e-03 -2.7956000000e-03 -4.4270000000e-04  3.6833000000e-03 -1.0653000000e-03  6.1440000000e-04  1.4680000000e-04  3.8417000000e-03  3.1476000000e-03 -2.8639000000e-03  2.0930000000e-03 -2.5643000000e-03 -8.6270000000e-04 -2.8289000000e-03 -6.0820000000e-04  3.7471000000e-03  7.5520000000e-04
+
+JOB 85
+COORDS  1.0424560000e+00  2.3238800000e+00  3.5681070000e+00  4.6157600000e-01  1.7067130000e+00  4.0129850000e+00  1.0624680000e+00  2.0225160000e+00  2.6598060000e+00 -9.7514700000e-01 -2.2685230000e+00 -3.4976260000e+00 -1.8400060000e+00 -2.6780610000e+00 -3.5206330000e+00 -8.1131000000e-01 -2.0027650000e+00 -4.4024810000e+00
+ENERGY -1.526542960397e+02
+FORCES -2.2725000000e-03 -3.8361000000e-03 -2.0046000000e-03  2.3439000000e-03  2.5470000000e-03 -1.7313000000e-03 -7.1400000000e-05  1.3122000000e-03  3.7733000000e-03 -2.8477000000e-03 -6.5100000000e-04 -3.9029000000e-03  3.5266000000e-03  1.6972000000e-03  1.4490000000e-04 -6.7900000000e-04 -1.0692000000e-03  3.7206000000e-03
+
+JOB 86
+COORDS  1.1164010000e+00  4.0615130000e+00 -1.6387610000e+00  1.4474250000e+00  4.8803820000e+00 -1.2698320000e+00  7.1664300000e-01  3.6081820000e+00 -8.9652300000e-01 -1.1016530000e+00 -4.0453600000e+00  1.5237680000e+00 -6.5933800000e-01 -4.8728310000e+00  1.7131940000e+00 -1.7460510000e+00 -3.9516010000e+00  2.2253320000e+00
+ENERGY -1.526540782404e+02
+FORCES -3.0280000000e-04  1.3354000000e-03  4.5465000000e-03 -1.3418000000e-03 -3.3015000000e-03 -1.5117000000e-03  1.6385000000e-03  1.9788000000e-03 -3.0167000000e-03 -8.2420000000e-04 -3.0782000000e-03  3.5693000000e-03 -1.8120000000e-03  3.3937000000e-03 -7.4210000000e-04  2.6423000000e-03 -3.2810000000e-04 -2.8452000000e-03
+
+JOB 87
+COORDS  3.2330510000e+00  4.8654300000e+00  1.9663820000e+00  3.8776950000e+00  5.4633620000e+00  2.3447250000e+00  2.6383710000e+00  4.6650340000e+00  2.6891750000e+00 -3.2657490000e+00 -4.8294320000e+00 -2.0286060000e+00 -3.6302430000e+00 -5.6381600000e+00 -1.6689740000e+00 -2.3615080000e+00 -5.0515910000e+00 -2.2504740000e+00
+ENERGY -1.526540618740e+02
+FORCES  1.6230000000e-04  1.6213000000e-03  4.4818000000e-03 -2.6170000000e-03 -2.4424000000e-03 -1.5430000000e-03  2.4509000000e-03  8.2160000000e-04 -2.9370000000e-03  2.2330000000e-03 -4.1776000000e-03  5.4660000000e-04  1.4761000000e-03  3.2953000000e-03 -1.4592000000e-03 -3.7053000000e-03  8.8190000000e-04  9.1080000000e-04
+
+JOB 88
+COORDS  6.5140830000e+00  3.3218600000e-01  2.1156830000e+00  7.3063890000e+00 -2.0484200000e-01  2.1248120000e+00  5.8194070000e+00 -2.6950300000e-01  1.8480490000e+00 -6.5176370000e+00 -2.7342500000e-01 -2.1667970000e+00 -5.7582760000e+00 -5.9540000000e-02 -1.6247130000e+00 -7.2460050000e+00 -3.2918600000e-01 -1.5482480000e+00
+ENERGY -1.526540805825e+02
+FORCES  4.2690000000e-04 -4.6468000000e-03 -1.0714000000e-03 -3.2402000000e-03  2.1896000000e-03 -3.0700000000e-05  2.8134000000e-03  2.4595000000e-03  1.1032000000e-03  1.1500000000e-04  6.7500000000e-04  4.7341000000e-03 -3.0899000000e-03 -8.9320000000e-04 -2.2122000000e-03  2.9748000000e-03  2.1590000000e-04 -2.5231000000e-03
+
+JOB 89
+COORDS -1.6101070000e+00  3.4038110000e+00  7.1104700000e+00 -1.8275300000e+00  2.9376680000e+00  7.9177300000e+00 -1.7228370000e+00  2.7516380000e+00  6.4189550000e+00  1.6151450000e+00 -3.4071090000e+00 -7.1038380000e+00  1.8122420000e+00 -2.9348240000e+00 -7.9127460000e+00  1.6278590000e+00 -2.7337720000e+00 -6.4236270000e+00
+ENERGY -1.526540861829e+02
+FORCES -1.3530000000e-03 -4.5669000000e-03  4.8720000000e-04  8.8850000000e-04  1.9031000000e-03 -3.2967000000e-03  4.6490000000e-04  2.6655000000e-03  2.8099000000e-03  8.6460000000e-04  4.6782000000e-03 -5.3870000000e-04 -8.0670000000e-04 -1.9281000000e-03  3.3029000000e-03 -5.8300000000e-05 -2.7518000000e-03 -2.7647000000e-03
+
+JOB 0
+COORDS  1.1738210000e+00 -4.0006500000e-01 -5.7708300000e-01  6.8510000000e-01  2.1630500000e-01 -1.1224930000e+00  6.0975900000e-01 -5.4839200000e-01  1.8190600000e-01 -1.0946230000e+00  3.4811200000e-01  4.9315500000e-01 -1.4497410000e+00 -1.7266700000e-01  1.2135110000e+00 -9.8486600000e-01  1.2245510000e+00  8.6198900000e-01
+ENERGY -1.526542018172e+02
+FORCES -1.9367200000e-02  6.7425000000e-03  5.7211000000e-03  3.7460000000e-03  6.4370000000e-04 -1.5420000000e-03  4.0910000000e-03 -4.5934000000e-03  3.4157000000e-03  6.4583000000e-03  2.7400000000e-04 -1.4048000000e-03  5.2560000000e-03  1.8158000000e-03 -3.7545000000e-03 -1.8410000000e-04 -4.8826000000e-03 -2.4355000000e-03
+
+JOB 1
+COORDS  1.1648400000e+00  6.2671500000e-01 -2.9210600000e-01  1.6368200000e+00 -2.0063900000e-01 -1.9748800000e-01  2.4639600000e-01  3.9646300000e-01 -1.5183500000e-01 -1.1433000000e+00 -5.1044200000e-01  2.4918700000e-01 -1.0192870000e+00 -6.9410300000e-01  1.1803800000e+00 -1.2167090000e+00 -1.3736140000e+00 -1.5797100000e-01
+ENERGY -1.526570496008e+02
+FORCES -1.7583900000e-02 -1.1058500000e-02  3.1437000000e-03 -1.2955000000e-03  1.4452000000e-03  1.5230000000e-04  7.0977000000e-03  4.6002000000e-03  6.5010000000e-04  9.4222000000e-03  4.1380000000e-04 -1.3245000000e-03  9.6150000000e-04  5.4420000000e-04 -6.0684000000e-03  1.3981000000e-03  4.0551000000e-03  3.4468000000e-03
+
+JOB 2
+COORDS  2.1541500000e-01  6.6188700000e-01  1.1631280000e+00 -3.0908000000e-02  2.9681500000e-01  3.1325800000e-01  1.1720280000e+00  6.8960000000e-01  1.1442580000e+00 -2.1809600000e-01 -5.9850000000e-01 -1.1426580000e+00 -1.1744910000e+00 -6.3344000000e-01 -1.1247400000e+00  5.8976000000e-02 -1.3156410000e+00 -5.7241900000e-01
+ENERGY -1.526562652544e+02
+FORCES -1.0570000000e-04 -5.0287000000e-03 -1.8674600000e-02 -1.3329000000e-03 -3.0519000000e-03  1.0097100000e-02 -2.7931000000e-03 -1.6508000000e-03 -2.0820000000e-04 -1.2450000000e-03 -9.3270000000e-04  6.2739000000e-03  6.5598000000e-03  1.8542000000e-03  2.6533000000e-03 -1.0830000000e-03  8.8097000000e-03 -1.4160000000e-04
+
+JOB 3
+COORDS -9.9664300000e-01  7.9457300000e-01  6.4849000000e-02 -1.4468310000e+00  9.7147600000e-01 -7.6114600000e-01 -1.6790080000e+00  4.5033100000e-01  6.4113700000e-01  1.0850120000e+00 -8.3541400000e-01  2.9560000000e-03  4.7966600000e-01 -1.0753200000e-01  1.4428900000e-01  1.2967540000e+00 -7.9383700000e-01 -9.2960400000e-01
+ENERGY -1.526579430733e+02
+FORCES  4.2874000000e-03 -8.9012000000e-03 -2.2733000000e-03  1.3627000000e-03 -1.1133000000e-03  4.3161000000e-03  3.0150000000e-03  2.1875000000e-03 -3.6767000000e-03 -1.4090100000e-02  1.2194700000e-02 -2.3652000000e-03  6.6089000000e-03 -4.5353000000e-03  1.9921000000e-03 -1.1840000000e-03  1.6770000000e-04  2.0069000000e-03
+
+JOB 4
+COORDS -3.3701000000e-01 -8.4974000000e-01 -9.3533400000e-01 -8.6699400000e-01 -1.4849630000e+00 -4.5383600000e-01  5.2379400000e-01 -1.2618930000e+00 -1.0086730000e+00  3.4991900000e-01  9.4920600000e-01  9.5804400000e-01  5.9376000000e-01  7.2590700000e-01  5.9762000000e-02 -5.4176200000e-01  6.1488700000e-01  1.0548290000e+00
+ENERGY -1.526536149722e+02
+FORCES  2.7710000000e-03 -2.0090000000e-04  8.7672000000e-03  2.0001000000e-03  3.7153000000e-03 -1.5989000000e-03 -3.4179000000e-03  4.6190000000e-03  9.3770000000e-04 -8.0196000000e-03 -1.0540300000e-02 -1.2664700000e-02  6.2368000000e-03  1.6666000000e-03  9.4110000000e-04  4.2960000000e-04  7.4030000000e-04  3.6175000000e-03
+
+JOB 5
+COORDS  5.3442700000e-01  1.5416400000e-01 -1.2620520000e+00  4.0705600000e-01  1.3776800000e-01 -3.1350600000e-01  3.9147200000e-01  1.0682150000e+00 -1.5076250000e+00 -4.6879500000e-01 -1.6362100000e-01  1.2141820000e+00 -1.4061480000e+00 -3.9849000000e-02  1.0649150000e+00 -3.7876600000e-01 -1.0950890000e+00  1.4154150000e+00
+ENERGY -1.526596916858e+02
+FORCES -5.1187000000e-03  7.8420000000e-04  1.5274700000e-02  4.4344000000e-03  2.2460000000e-04 -9.1419000000e-03 -8.4330000000e-04 -2.6691000000e-03  1.7744000000e-03 -2.4907000000e-03 -2.6460000000e-03 -7.5436000000e-03  4.6678000000e-03 -7.5710000000e-04  1.4088000000e-03 -6.4950000000e-04  5.0635000000e-03 -1.7724000000e-03
+
+JOB 6
+COORDS  6.3244900000e-01 -1.0783780000e+00  3.7665900000e-01  1.4407960000e+00 -1.5528990000e+00  1.8265600000e-01  5.8106100000e-01 -1.0725870000e+00  1.3324610000e+00 -6.8037100000e-01  1.1617250000e+00 -3.7369900000e-01 -1.0195200000e+00  1.1085480000e+00 -1.2672210000e+00 -2.5952100000e-01  3.1479700000e-01 -2.2594500000e-01
+ENERGY -1.526605600784e+02
+FORCES  3.6410000000e-04  4.9031000000e-03 -2.8130000000e-04 -3.7525000000e-03  1.2651000000e-03  2.6235000000e-03  1.1460000000e-03 -4.2380000000e-04 -5.3129000000e-03  6.5066000000e-03 -1.1982000000e-02  9.6240000000e-04  1.8572000000e-03 -8.9860000000e-04  2.3185000000e-03 -6.1215000000e-03  7.1361000000e-03 -3.1030000000e-04
+
+JOB 7
+COORDS  1.2698470000e+00  3.7307500000e-01 -4.3551700000e-01  5.2758200000e-01  2.6908100000e-01  1.5984800000e-01  2.0201690000e+00  5.2144300000e-01  1.4001500000e-01 -1.2985870000e+00 -3.1751500000e-01  3.5684200000e-01 -1.1740380000e+00 -1.0675540000e+00 -2.2467300000e-01 -9.3675500000e-01 -6.0188700000e-01  1.1961530000e+00
+ENERGY -1.526562853593e+02
+FORCES -9.3166000000e-03  4.6200000000e-04  3.4902000000e-03  9.6790000000e-03 -2.5398000000e-03  1.9245000000e-03 -4.8374000000e-03 -1.2929000000e-03 -3.5330000000e-04  1.5406000000e-03 -5.7296000000e-03 -2.8692000000e-03 -3.8350000000e-04  4.3039000000e-03  4.1427000000e-03  3.3178000000e-03  4.7964000000e-03 -6.3349000000e-03
+
+JOB 8
+COORDS  8.2505000000e-02  1.1698210000e+00  6.7035700000e-01  9.4104100000e-01  8.7709200000e-01  9.7606500000e-01 -4.1472900000e-01  1.3332050000e+00  1.4717900000e+00 -4.6734000000e-02 -1.1978940000e+00 -7.7038100000e-01 -9.0500100000e-01 -1.5489920000e+00 -5.3302400000e-01 -8.9424000000e-02 -2.7358300000e-01 -5.2531200000e-01
+ENERGY -1.526598353907e+02
+FORCES  6.1210000000e-04 -4.8533000000e-03  3.6195000000e-03 -5.2963000000e-03  1.2836000000e-03 -2.3046000000e-03  3.0343000000e-03 -8.5570000000e-04 -3.1572000000e-03 -4.2196000000e-03  1.0901600000e-02  6.7349000000e-03  2.3892000000e-03  8.7470000000e-04 -3.6070000000e-04  3.4802000000e-03 -7.3509000000e-03 -4.5318000000e-03
+
+JOB 9
+COORDS  1.1438300000e-01 -1.2064180000e+00 -5.9579800000e-01  1.0214590000e+00 -1.5111970000e+00 -5.7223800000e-01 -3.5335600000e-01 -1.7993120000e+00 -7.6400000000e-03 -8.2520000000e-02  1.2847470000e+00  5.7991300000e-01 -9.4058000000e-01  1.7067950000e+00  6.2282100000e-01 -2.5937200000e-01  4.1810100000e-01  2.1401700000e-01
+ENERGY -1.526600318438e+02
+FORCES  5.0605000000e-03 -1.4400000000e-04  2.4344000000e-03 -5.2010000000e-03 -8.1800000000e-05 -4.0700000000e-05  2.0078000000e-03  5.4879000000e-03 -2.0391000000e-03 -2.6780000000e-04 -9.9451000000e-03 -6.7332000000e-03  2.1278000000e-03 -3.3813000000e-03 -6.7280000000e-04 -3.7274000000e-03  8.0643000000e-03  7.0514000000e-03
+
+JOB 10
+COORDS  2.6693800000e-01  7.9848500000e-01  1.0224260000e+00  9.1616800000e-01  1.4814670000e+00  1.1905580000e+00 -2.8803400000e-01  7.9769900000e-01  1.8023210000e+00 -2.5549600000e-01 -8.1092600000e-01 -1.1314950000e+00 -2.0718900000e-01 -3.3795900000e-01 -3.0071200000e-01 -5.7485300000e-01 -1.6814250000e+00 -8.9385300000e-01
+ENERGY -1.526597389871e+02
+FORCES  1.6995000000e-03  4.6700000000e-04 -3.0889000000e-03 -3.9407000000e-03 -2.5720000000e-03  1.6575000000e-03  2.9715000000e-03 -4.2770000000e-04 -4.0221000000e-03  2.7334000000e-03  5.8343000000e-03  9.9106000000e-03 -4.2036000000e-03 -6.6617000000e-03 -5.3553000000e-03  7.3990000000e-04  3.3602000000e-03  8.9820000000e-04
+
+JOB 11
+COORDS  2.5677200000e-01  1.0593040000e+00 -9.1909700000e-01  9.9600000000e-02  5.1519500000e-01 -1.4742800000e-01 -6.1787100000e-01  1.2817780000e+00 -1.2380610000e+00 -2.3414800000e-01 -1.0022910000e+00  8.5458600000e-01  3.3227600000e-01 -1.7373880000e+00  6.2000700000e-01 -2.2276800000e-01 -9.8641600000e-01  1.8115860000e+00
+ENERGY -1.526612141516e+02
+FORCES -5.2661000000e-03 -9.1754000000e-03  8.1134000000e-03  2.3902000000e-03  7.8370000000e-03 -5.4565000000e-03  2.3323000000e-03 -7.0130000000e-04  1.1519000000e-03  3.1106000000e-03 -1.2965000000e-03 -1.4051000000e-03 -3.0283000000e-03  3.4436000000e-03  2.7463000000e-03  4.6140000000e-04 -1.0740000000e-04 -5.1500000000e-03
+
+JOB 12
+COORDS  6.6221700000e-01 -9.3738000000e-01  9.0464600000e-01  8.2459000000e-01 -2.1375200000e-01  1.5098150000e+00  1.6380200000e-01 -5.4397500000e-01  1.8837300000e-01 -5.9857300000e-01  8.3287400000e-01 -8.6716700000e-01 -1.3513730000e+00  1.2616500000e+00 -4.6013400000e-01 -6.3653900000e-01  1.1017910000e+00 -1.7850310000e+00
+ENERGY -1.526602985828e+02
+FORCES -3.7695000000e-03  9.8145000000e-03 -6.9825000000e-03 -8.1570000000e-04 -2.2535000000e-03 -6.7450000000e-04  2.0557000000e-03 -5.6756000000e-03  5.7500000000e-03 -6.2820000000e-04  9.3000000000e-05 -6.0120000000e-04  4.1321000000e-03 -1.8065000000e-03 -2.2429000000e-03 -9.7450000000e-04 -1.7180000000e-04  4.7511000000e-03
+
+JOB 13
+COORDS -3.3412300000e-01  1.2917960000e+00  3.6338700000e-01  4.6827600000e-01  1.1488310000e+00  8.6533200000e-01 -9.2715400000e-01  1.7251660000e+00  9.7717600000e-01  3.6683900000e-01 -1.3509430000e+00 -4.8009500000e-01  2.0950000000e-02 -4.8027900000e-01 -6.7640500000e-01 -1.2564000000e-02 -1.5738440000e+00  3.6996400000e-01
+ENERGY -1.526591744663e+02
+FORCES  1.3296000000e-03  2.9700000000e-05  3.5419000000e-03 -5.0781000000e-03  1.5490000000e-04 -2.3115000000e-03  3.5346000000e-03 -2.5088000000e-03 -1.6919000000e-03 -7.0049000000e-03  8.0528000000e-03  3.7045000000e-03  4.7092000000e-03 -5.3867000000e-03 -1.6054000000e-03  2.5096000000e-03 -3.4190000000e-04 -1.6376000000e-03
+
+JOB 14
+COORDS -1.1374610000e+00 -6.2610800000e-01  4.2959400000e-01 -2.0785920000e+00 -4.5408200000e-01  4.5975700000e-01 -8.9492200000e-01 -7.9422700000e-01  1.3401670000e+00  1.2448880000e+00  6.3228400000e-01 -4.8542300000e-01  6.2728400000e-01  1.2109400000e+00 -9.3258700000e-01  6.9803200000e-01 -5.6773000000e-02 -1.0809000000e-01
+ENERGY -1.526579754849e+02
+FORCES -1.6949000000e-03  2.4707000000e-03  1.5105000000e-03  4.1541000000e-03 -8.2910000000e-04  8.6070000000e-04  3.7260000000e-04  1.2176000000e-03 -5.7046000000e-03 -1.2896200000e-02 -3.0035000000e-03  5.9620000000e-04  3.1698000000e-03  1.8770000000e-04  1.4510000000e-04  6.8946000000e-03 -4.3500000000e-05  2.5920000000e-03
+
+JOB 15
+COORDS -1.1938800000e+00  5.3676100000e-01 -5.6550000000e-01 -4.9023300000e-01  5.5597000000e-01  8.3148000000e-02 -1.6755840000e+00  1.3512400000e+00 -4.2121800000e-01  1.1771250000e+00 -5.1425000000e-01  5.0566600000e-01  1.4330300000e+00 -1.2064320000e+00 -1.0394700000e-01  1.0597500000e+00 -9.6313300000e-01  1.3428980000e+00
+ENERGY -1.526598594094e+02
+FORCES  7.4518000000e-03 -1.0122000000e-03  3.8378000000e-03 -9.1389000000e-03  4.3638000000e-03 -1.5381000000e-03  3.0679000000e-03 -2.9399000000e-03  8.6330000000e-04 -1.2399000000e-03 -5.4353000000e-03 -3.4205000000e-03  2.5020000000e-04  2.2955000000e-03  4.2430000000e-03 -3.9110000000e-04  2.7281000000e-03 -3.9855000000e-03
+
+JOB 16
+COORDS -3.5268000000e-01 -1.2436440000e+00  5.7714500000e-01 -8.8138500000e-01 -1.9937860000e+00  3.0513400000e-01  4.7901700000e-01 -1.3567510000e+00  1.1701700000e-01  2.7926700000e-01  1.3190710000e+00 -5.7435800000e-01  8.6348400000e-01  1.7761820000e+00  3.0598000000e-02  5.6970800000e-01  4.0744800000e-01 -5.4573500000e-01
+ENERGY -1.526488867424e+02
+FORCES -4.3830000000e-04 -2.4157000000e-03 -3.3480000000e-03  2.4930000000e-03  3.8329000000e-03  1.5967000000e-03 -3.3332000000e-03  7.6492000000e-03 -3.5700000000e-04 -8.8250000000e-04 -5.4888000000e-03  6.2797000000e-03 -2.1003000000e-03 -2.1248000000e-03 -2.5545000000e-03  4.2613000000e-03 -1.4526000000e-03 -1.6169000000e-03
+
+JOB 17
+COORDS  2.9668900000e-01 -4.8405600000e-01  1.2563940000e+00  1.2434060000e+00 -4.1534100000e-01  1.3798320000e+00 -3.4520000000e-03 -1.0159330000e+00  1.9934520000e+00 -3.5327200000e-01  5.7578000000e-01 -1.3237150000e+00 -3.9347100000e-01 -2.2045300000e-01 -1.8534580000e+00  3.6721000000e-02  2.9404600000e-01 -4.9621000000e-01
+ENERGY -1.526594237418e+02
+FORCES -1.5768000000e-03 -1.6289000000e-03  2.5750000000e-03 -5.2731000000e-03 -1.8470000000e-04 -2.1293000000e-03  3.1990000000e-03  2.1070000000e-03 -2.5026000000e-03  7.1790000000e-04 -6.8212000000e-03  8.1311000000e-03  1.7350000000e-04  2.4127000000e-03  1.2848000000e-03  2.7596000000e-03  4.1151000000e-03 -7.3589000000e-03
+
+JOB 18
+COORDS -5.6765300000e-01 -6.9007500000e-01  1.1799660000e+00 -8.6267000000e-02 -5.7656600000e-01  1.9994870000e+00 -3.4949000000e-02 -2.3987100000e-01  5.2439400000e-01  4.4884000000e-01  6.6929600000e-01 -1.1614220000e+00  7.2970100000e-01 -1.2932600000e-01 -1.6081350000e+00  1.2120220000e+00  1.2458690000e+00 -1.1981350000e+00
+ENERGY -1.526601957024e+02
+FORCES  4.3405000000e-03  6.4922000000e-03 -5.3123000000e-03 -8.3320000000e-04  2.7970000000e-04 -3.3490000000e-03 -1.7293000000e-03 -7.9007000000e-03  7.6277000000e-03  2.8895000000e-03  5.3920000000e-04 -4.1888000000e-03 -1.0926000000e-03  4.1512000000e-03  4.6750000000e-03 -3.5749000000e-03 -3.5617000000e-03  5.4740000000e-04
+
+JOB 19
+COORDS -1.3983500000e-01  1.0312050000e+00  9.5377300000e-01 -8.3545000000e-02  1.8811700000e+00  5.1716900000e-01 -9.4017400000e-01  1.0823690000e+00  1.4763350000e+00  1.3424100000e-01 -1.0795650000e+00 -1.0094820000e+00  9.7004300000e-01 -1.5448840000e+00 -9.7563000000e-01  9.5110000000e-02 -5.9614200000e-01 -1.8425300000e-01
+ENERGY -1.526615572964e+02
+FORCES -2.6462000000e-03  4.2305000000e-03 -2.1302000000e-03 -8.0950000000e-04 -3.2344000000e-03  3.4200000000e-03  3.7720000000e-03 -4.2300000000e-05 -2.8335000000e-03  1.4212000000e-03  5.4341000000e-03  7.2997000000e-03 -2.5030000000e-03  2.1334000000e-03  4.3890000000e-04  7.6540000000e-04 -8.5213000000e-03 -6.1949000000e-03
+
+JOB 20
+COORDS -3.2549900000e-01  2.6304500000e-01  1.3644210000e+00 -1.0285950000e+00 -3.2429600000e-01  1.6417630000e+00 -7.3933000000e-01  1.1245400000e+00  1.3114670000e+00  3.3999700000e-01 -3.0510200000e-01 -1.4031370000e+00  1.1654850000e+00 -1.7233400000e-01 -1.8691560000e+00  4.8335600000e-01  9.0738000000e-02 -5.4349100000e-01
+ENERGY -1.526602902229e+02
+FORCES -6.3774000000e-03 -1.9090000000e-03  4.0920000000e-04  2.7061000000e-03  3.7778000000e-03  1.5110000000e-04  2.7370000000e-03 -4.1814000000e-03 -8.4810000000e-04  1.1630000000e-03  1.3776000000e-03  7.3542000000e-03 -2.7209000000e-03  1.7030000000e-04  2.9413000000e-03  2.4921000000e-03  7.6470000000e-04 -1.0007600000e-02
+
+JOB 21
+COORDS -5.3461900000e-01 -1.2836380000e+00  4.1396300000e-01 -1.2083840000e+00 -1.7690670000e+00  8.9002100000e-01 -7.7679600000e-01 -3.6438500000e-01  5.2602200000e-01  5.9595500000e-01  1.2758520000e+00 -3.8853200000e-01  6.6595400000e-01  4.0173700000e-01 -7.7227100000e-01  3.9899900000e-01  1.8483560000e+00 -1.1299360000e+00
+ENERGY -1.526601211914e+02
+FORCES -2.5863000000e-03  3.2405000000e-03  3.1607000000e-03  2.0127000000e-03  3.0330000000e-03 -1.3973000000e-03  4.3670000000e-04 -7.6691000000e-03 -2.1456000000e-03  2.2017000000e-03 -2.2015000000e-03 -5.2580000000e-03 -2.6341000000e-03  6.4429000000e-03  2.6347000000e-03  5.6930000000e-04 -2.8459000000e-03  3.0055000000e-03
+
+JOB 22
+COORDS  1.7595400000e-01  9.9579600000e-01  1.1380440000e+00  4.8842000000e-01  5.1605800000e-01  3.7094000000e-01 -6.8564800000e-01  6.2105100000e-01  1.3209070000e+00 -1.9085500000e-01 -8.9269900000e-01 -1.0756940000e+00 -3.7142100000e-01 -1.8305380000e+00 -1.0117810000e+00  6.3016900000e-01 -8.3916800000e-01 -1.5648630000e+00
+ENERGY -1.526579730158e+02
+FORCES -5.2138000000e-03 -8.4166000000e-03 -7.5748000000e-03  4.8778000000e-03  4.8577000000e-03  2.4932000000e-03  1.9638000000e-03  2.1416000000e-03  2.1222000000e-03  1.1345000000e-03 -4.1287000000e-03 -1.1823000000e-03  7.2520000000e-04  4.5686000000e-03 -7.0610000000e-04 -3.4874000000e-03  9.7740000000e-04  4.8478000000e-03
+
+JOB 23
+COORDS  8.2350000000e-02 -3.4289300000e-01 -1.3660690000e+00  3.2118800000e-01  4.0142300000e-01 -1.9185030000e+00  4.4561200000e-01 -1.1040540000e+00 -1.8187350000e+00 -1.4558400000e-01  3.3848800000e-01  1.4757190000e+00 -2.1854600000e-01 -2.7235200000e-01  7.4238200000e-01  4.8184800000e-01  9.9716700000e-01  1.1778880000e+00
+ENERGY -1.526591585491e+02
+FORCES  1.7092000000e-03  1.7415000000e-03 -3.3492000000e-03 -2.5050000000e-04 -3.8342000000e-03  2.2736000000e-03 -1.6005000000e-03  3.8421000000e-03  2.3677000000e-03  2.7143000000e-03 -1.0994000000e-03 -1.1032400000e-02 -9.7980000000e-04 -2.9620000000e-04  7.6367000000e-03 -1.5927000000e-03 -3.5370000000e-04  2.1036000000e-03
+
+JOB 24
+COORDS  1.2364790000e+00  7.6906500000e-01 -1.5240700000e-01  1.6809160000e+00  1.4737610000e+00  3.1888000000e-01  4.0564600000e-01  1.1537840000e+00 -4.3158400000e-01 -1.2509200000e+00 -7.9998900000e-01  8.6211000000e-02 -5.4949600000e-01 -1.4475740000e+00  1.6428000000e-02 -1.3436930000e+00 -6.4707900000e-01  1.0265540000e+00
+ENERGY -1.526572427227e+02
+FORCES -5.1260000000e-03  2.6577000000e-03 -6.6380000000e-04 -2.8518000000e-03 -3.0869000000e-03 -1.1128000000e-03  6.1751000000e-03  1.4317000000e-03  9.9200000000e-04  7.2327000000e-03 -1.8021000000e-03  4.2219000000e-03 -4.8524000000e-03  9.2010000000e-04  1.3980000000e-04 -5.7760000000e-04 -1.2050000000e-04 -3.5771000000e-03
+
+JOB 25
+COORDS -8.9746900000e-01 -1.1648030000e+00 -8.5655000000e-02 -3.3486900000e-01 -1.2368770000e+00 -8.5670500000e-01 -5.9281000000e-01 -1.8584330000e+00  4.9940300000e-01  8.7592700000e-01  1.2572120000e+00  1.3115300000e-01  1.1590520000e+00  8.5882300000e-01 -6.9186400000e-01  3.6184000000e-02  8.3994000000e-01  3.2337300000e-01
+ENERGY -1.526573112480e+02
+FORCES  4.2879000000e-03 -4.8795000000e-03 -2.8350000000e-04 -1.5206000000e-03  2.6305000000e-03  3.7475000000e-03 -1.4451000000e-03  3.2201000000e-03 -3.1626000000e-03 -6.0937000000e-03 -7.0326000000e-03 -1.8658000000e-03 -5.9370000000e-04  2.2880000000e-04  2.0165000000e-03  5.3653000000e-03  5.8326000000e-03 -4.5220000000e-04
+
+JOB 26
+COORDS -9.4343800000e-01 -8.8401200000e-01  7.4322700000e-01 -1.3235550000e+00 -1.2650400000e-01  2.9834100000e-01 -1.1475730000e+00 -1.6248690000e+00  1.7253400000e-01  9.8882800000e-01  9.4031500000e-01 -7.3073300000e-01  1.6078190000e+00  3.1201200000e-01 -3.5882200000e-01  1.3817000000e-01  6.7466800000e-01 -3.8138300000e-01
+ENERGY -1.526525906193e+02
+FORCES -3.7901000000e-03 -1.6311000000e-03 -4.3712000000e-03  9.3001000000e-03 -3.2320000000e-04 -5.8290000000e-04  1.3964000000e-03  3.8082000000e-03  3.1274000000e-03 -1.0621000000e-03 -8.3692000000e-03  7.0818000000e-03 -1.6160000000e-04  3.2658000000e-03 -2.9818000000e-03 -5.6828000000e-03  3.2496000000e-03 -2.2732000000e-03
+
+JOB 27
+COORDS  9.6733000000e-02  1.4330960000e+00 -2.5129500000e-01 -2.5587100000e-01  2.0292730000e+00  4.0936800000e-01  8.6876200000e-01  1.8837000000e+00 -5.9358000000e-01 -1.3228500000e-01 -1.5460950000e+00  1.9872000000e-01  1.2046100000e-01 -1.4659850000e+00  1.1184660000e+00 -2.0016300000e-01 -6.4295300000e-01 -1.1105100000e-01
+ENERGY -1.526608557396e+02
+FORCES  2.2518000000e-03  4.2821000000e-03  7.2230000000e-04  2.3889000000e-03 -2.6366000000e-03 -2.8686000000e-03 -3.8684000000e-03 -1.0623000000e-03  2.2432000000e-03  1.5967000000e-03  9.2894000000e-03  1.1822000000e-03 -9.5070000000e-04 -8.9940000000e-04 -2.2828000000e-03 -1.4183000000e-03 -8.9732000000e-03  1.0038000000e-03
+
+JOB 28
+COORDS -3.1449000000e-02 -1.3229300000e+00 -8.3566900000e-01 -8.8126300000e-01 -1.0740530000e+00 -4.7220000000e-01  4.7712800000e-01 -1.6144620000e+00 -7.8972000000e-02 -4.2720000000e-03  1.3166640000e+00  7.9797500000e-01  8.4834300000e-01  9.4937500000e-01  1.0311670000e+00  1.6476300000e-01  1.8349630000e+00  1.1193000000e-02
+ENERGY -1.526552787232e+02
+FORCES -2.8759000000e-03  3.5557000000e-03  7.2281000000e-03  2.4243000000e-03 -3.4769000000e-03 -3.0459000000e-03 -4.7650000000e-04  1.0930000000e-03 -2.8504000000e-03  5.3359000000e-03 -9.8350000000e-04 -5.6217000000e-03 -3.3999000000e-03  6.9440000000e-04  3.0880000000e-04 -1.0079000000e-03 -8.8270000000e-04  3.9812000000e-03
+
+JOB 29
+COORDS  6.3364100000e-01 -4.2090500000e-01 -1.3869960000e+00 -1.9842200000e-01 -5.5935500000e-01 -1.8394710000e+00  4.0330400000e-01 -4.1368000000e-01 -4.5795100000e-01 -5.0922400000e-01  4.2806800000e-01  1.3433360000e+00 -9.8675400000e-01 -2.3634500000e-01  1.8400770000e+00 -1.1661430000e+00  1.0938920000e+00  1.1399460000e+00
+ENERGY -1.526598775869e+02
+FORCES -5.1653000000e-03  1.4087000000e-03  6.5988000000e-03  2.4889000000e-03  6.1350000000e-04  1.3011000000e-03  3.0440000000e-03 -3.8246000000e-03 -8.2423000000e-03 -5.1056000000e-03  2.8719000000e-03  2.6808000000e-03  2.2528000000e-03  2.8482000000e-03 -3.6149000000e-03  2.4852000000e-03 -3.9177000000e-03  1.2765000000e-03
+
+JOB 30
+COORDS  1.0130100000e-01 -7.6319100000e-01 -1.3711290000e+00  3.3384400000e-01 -1.6320100000e-01 -2.0797670000e+00 -1.4165400000e-01 -1.9162900000e-01 -6.4276000000e-01 -7.7530000000e-02  6.4943700000e-01  1.3193870000e+00  3.4849200000e-01  1.4459410000e+00  1.6361190000e+00 -9.0102500000e-01  6.0815500000e-01  1.8055800000e+00
+ENERGY -1.526603294202e+02
+FORCES  3.6060000000e-04  5.9370000000e-03  4.9529000000e-03 -6.2050000000e-04 -1.6622000000e-03  2.5453000000e-03 -1.0424000000e-03 -4.4900000000e-03 -8.7967000000e-03 -8.9800000000e-05  3.0307000000e-03  4.8941000000e-03 -2.6074000000e-03 -3.4848000000e-03 -9.2380000000e-04  3.9994000000e-03  6.6930000000e-04 -2.6718000000e-03
+
+JOB 31
+COORDS  1.3343790000e+00  6.6224500000e-01  4.2411000000e-02  1.7833100000e+00 -1.5789100000e-01 -1.6269800000e-01  1.9602040000e+00  1.1513010000e+00  5.7663800000e-01 -1.4367490000e+00 -6.3280400000e-01 -9.4090000000e-03 -1.6881680000e+00 -9.6870700000e-01 -8.6975100000e-01 -4.9755200000e-01 -4.6333400000e-01 -8.3033000000e-02
+ENERGY -1.526575583445e+02
+FORCES  5.3327000000e-03  2.0437000000e-03  3.3894000000e-03 -5.4333000000e-03  3.0025000000e-03  9.1150000000e-04 -1.6265000000e-03 -2.4972000000e-03 -3.2105000000e-03  5.0662000000e-03  3.3960000000e-03 -2.4579000000e-03  1.6785000000e-03  1.0558000000e-03  3.0442000000e-03 -5.0177000000e-03 -7.0008000000e-03 -1.6767000000e-03
+
+JOB 32
+COORDS  5.2721400000e-01 -1.3431200000e+00 -7.0397500000e-01 -3.9922900000e-01 -1.2411180000e+00 -4.8595800000e-01  9.4923600000e-01 -5.7205500000e-01 -3.2504600000e-01 -5.0991500000e-01  1.2258880000e+00  6.6939600000e-01 -5.3113000000e-02  1.7812850000e+00  3.7654000000e-02 -7.8451500000e-01  1.8263820000e+00  1.3623850000e+00
+ENERGY -1.526580121129e+02
+FORCES -4.2880000000e-03  5.9128000000e-03  5.9099000000e-03  2.9044000000e-03 -3.1051000000e-03 -2.7674000000e-03  1.5361000000e-03 -2.2962000000e-03 -4.0152000000e-03 -4.6070000000e-04  5.6927000000e-03  1.1157000000e-03 -9.2120000000e-04 -3.8640000000e-03  3.2941000000e-03  1.2293000000e-03 -2.3401000000e-03 -3.5371000000e-03
+
+JOB 33
+COORDS  5.2863800000e-01 -9.3051700000e-01  1.1857270000e+00  1.4826590000e+00 -9.6068900000e-01  1.2575940000e+00  3.6440600000e-01 -4.7001000000e-01  3.6280900000e-01 -5.9559400000e-01  9.2132600000e-01 -1.0852790000e+00  9.3840000000e-02  1.3798940000e+00 -1.5655160000e+00 -8.3659900000e-01  1.8883000000e-01 -1.6523750000e+00
+ENERGY -1.526587421412e+02
+FORCES  5.1480000000e-04  5.2097000000e-03 -4.5249000000e-03 -3.3614000000e-03  4.7880000000e-04 -8.6830000000e-04  3.9228000000e-03 -7.8098000000e-03  4.7170000000e-03 -1.3756000000e-03  2.4800000000e-03 -6.5779000000e-03 -2.7647000000e-03 -3.2646000000e-03  2.8757000000e-03  3.0641000000e-03  2.9060000000e-03  4.3785000000e-03
+
+JOB 34
+COORDS -4.0904000000e-01 -3.0490800000e-01 -1.4215930000e+00  6.3100000000e-04 -3.6841200000e-01 -2.2843610000e+00 -8.7713900000e-01 -1.1332200000e+00 -1.3166400000e+00  4.5891800000e-01  3.5256400000e-01  1.5176240000e+00  5.4389400000e-01  1.7989100000e-01  5.7997000000e-01 -4.2559000000e-01  7.0452200000e-01  1.6176390000e+00
+ENERGY -1.526605702377e+02
+FORCES -1.2898000000e-03 -4.0266000000e-03 -4.7583000000e-03 -2.1011000000e-03 -2.4890000000e-04  3.9820000000e-03  2.3336000000e-03  4.1293000000e-03 -6.9670000000e-04 -4.1371000000e-03  7.9990000000e-04 -7.6254000000e-03  2.5296000000e-03  7.4940000000e-04  8.1188000000e-03  2.6649000000e-03 -1.4031000000e-03  9.7960000000e-04
+
+JOB 35
+COORDS -3.2661700000e-01 -1.1357550000e+00 -1.1298880000e+00 -4.3992100000e-01 -4.7093400000e-01 -1.8091580000e+00  3.3197000000e-02 -6.5702100000e-01 -3.8317600000e-01  3.5021900000e-01  1.0456120000e+00  1.0706390000e+00  1.2633500000e-01  5.7452900000e-01  1.8732520000e+00 -7.7570000000e-02  1.8967240000e+00  1.1646490000e+00
+ENERGY -1.526597987262e+02
+FORCES  2.1215000000e-03  8.2444000000e-03  2.5603000000e-03 -1.7140000000e-04 -2.6819000000e-03  1.2670000000e-03 -1.8103000000e-03 -7.3768000000e-03 -3.6778000000e-03 -3.1573000000e-03  3.9013000000e-03  4.3271000000e-03  8.9620000000e-04  1.6025000000e-03 -4.7644000000e-03  2.1212000000e-03 -3.6894000000e-03  2.8780000000e-04
+
+JOB 36
+COORDS -1.2078490000e+00  6.2164500000e-01  7.8137800000e-01 -6.3571100000e-01  1.2411050000e+00  1.2343240000e+00 -1.8052220000e+00  1.1724790000e+00  2.7545400000e-01  1.2481640000e+00 -6.4884500000e-01 -8.2400700000e-01  1.3304390000e+00 -1.5513570000e+00 -5.1589200000e-01  4.7455200000e-01 -3.1083200000e-01 -3.7289400000e-01
+ENERGY -1.526610827485e+02
+FORCES -3.3380000000e-03  6.4856000000e-03  1.4759000000e-03 -2.2422000000e-03 -3.7283000000e-03 -3.2972000000e-03  3.0886000000e-03 -2.3214000000e-03  2.7243000000e-03 -6.1688000000e-03 -1.3026000000e-03  4.1735000000e-03 -3.4400000000e-05  3.0427000000e-03 -1.0088000000e-03  8.6947000000e-03 -2.1760000000e-03 -4.0677000000e-03
+
+JOB 37
+COORDS -5.0947300000e-01  9.0543700000e-01  1.1316320000e+00 -5.0379600000e-01  4.5613700000e-01  1.9768130000e+00 -1.0083440000e+00  1.7069980000e+00  1.2893000000e+00  5.5152800000e-01 -9.6094000000e-01 -1.2412050000e+00 -5.0668000000e-02 -2.1925600000e-01 -1.1820690000e+00  8.7894200000e-01 -1.0759510000e+00 -3.4912600000e-01
+ENERGY -1.526580922294e+02
+FORCES -2.3338000000e-03  1.9642000000e-03  5.0150000000e-03  4.6640000000e-04  1.9099000000e-03 -3.8857000000e-03  2.0190000000e-03 -3.7370000000e-03 -6.6870000000e-04 -2.3756000000e-03  5.4929000000e-03  6.8947000000e-03  1.9499000000e-03 -3.4636000000e-03 -4.3219000000e-03  2.7410000000e-04 -2.1665000000e-03 -3.0335000000e-03
+
+JOB 38
+COORDS  2.2585700000e-01 -9.9016400000e-01 -1.2893060000e+00  1.1714520000e+00 -1.0931700000e+00 -1.1821990000e+00 -3.6435000000e-02 -4.1801400000e-01 -5.6814000000e-01 -2.4229600000e-01  9.6996500000e-01  1.1797560000e+00 -9.2693400000e-01  3.6406900000e-01  1.4632940000e+00  1.6192000000e-02  1.4305840000e+00  1.9780330000e+00
+ENERGY -1.526587572173e+02
+FORCES  3.7236000000e-03  5.1203000000e-03  5.0605000000e-03 -2.9985000000e-03 -4.8050000000e-04 -1.0518000000e-03 -2.2700000000e-03 -6.3728000000e-03 -4.0157000000e-03 -9.2870000000e-04  1.8905000000e-03  6.2560000000e-03  4.4207000000e-03  2.0171000000e-03 -3.3029000000e-03 -1.9471000000e-03 -2.1746000000e-03 -2.9461000000e-03
+
+JOB 39
+COORDS -1.4697250000e+00 -5.0536500000e-01 -3.8264400000e-01 -1.5162050000e+00 -5.4070100000e-01 -1.3380620000e+00 -1.0285160000e+00 -1.3175000000e+00 -1.3363800000e-01  1.4923950000e+00  5.8330200000e-01  4.5235600000e-01  1.1287310000e+00 -2.7145100000e-01  6.8339200000e-01  1.0496060000e+00  8.2017800000e-01 -3.6254200000e-01
+ENERGY -1.526541182336e+02
+FORCES -8.6900000000e-04 -4.3422000000e-03 -2.7676000000e-03  1.3456000000e-03  9.1940000000e-04  4.5973000000e-03  3.2140000000e-04  4.8688000000e-03 -4.9910000000e-04 -7.8042000000e-03 -1.8522000000e-03 -2.4578000000e-03  2.5515000000e-03  7.2350000000e-04 -4.5060000000e-04  4.4547000000e-03 -3.1740000000e-04  1.5778000000e-03
+
+JOB 40
+COORDS  1.3841700000e-01 -2.0891000000e-02  1.6889920000e+00  1.1262000000e-02  7.9385700000e-01  1.2029370000e+00 -1.8982400000e-01 -7.0333300000e-01  1.1035330000e+00 -3.8759000000e-02  2.6180000000e-02 -1.6382410000e+00 -4.3483200000e-01 -5.8489000000e-01 -1.0169910000e+00 -7.8259000000e-01  4.6958500000e-01 -2.0460890000e+00
+ENERGY -1.526522081010e+02
+FORCES  4.6100000000e-05  1.8776000000e-03 -5.8210000000e-03 -8.3710000000e-04 -3.5044000000e-03  3.7758000000e-03 -2.3630000000e-04  1.8693000000e-03 -3.9460000000e-04 -4.6909000000e-03 -1.5506000000e-03 -1.2220000000e-03  2.0148000000e-03  2.9793000000e-03  1.0756000000e-03  3.7032000000e-03 -1.6712000000e-03  2.5862000000e-03
+
+JOB 41
+COORDS  1.4984640000e+00 -6.1521300000e-01  3.0130600000e-01  7.7986200000e-01 -1.2470990000e+00  3.2502200000e-01  1.7518860000e+00 -5.7448400000e-01 -6.2083900000e-01 -1.5234440000e+00  6.6462400000e-01 -2.9113600000e-01 -6.0036800000e-01  8.1769300000e-01 -4.9295800000e-01 -1.5163550000e+00  2.7230700000e-01  5.8194500000e-01
+ENERGY -1.526566533437e+02
+FORCES -5.6300000000e-05 -5.0605000000e-03 -3.6846000000e-03  2.5345000000e-03  4.2810000000e-03  6.2340000000e-04 -2.1117000000e-03  1.0971000000e-03  4.2831000000e-03  5.8418000000e-03  5.5920000000e-04  4.5462000000e-03 -5.2580000000e-03 -8.1210000000e-04 -2.0021000000e-03 -9.5030000000e-04 -6.4700000000e-05 -3.7659000000e-03
+
+JOB 42
+COORDS  1.6071890000e+00  3.6015000000e-02  4.1459700000e-01  7.0620500000e-01  2.7426600000e-01  1.9620100000e-01  1.8639210000e+00  6.6275000000e-01  1.0910020000e+00 -1.5346680000e+00 -1.4068300000e-01 -4.0079700000e-01 -2.1197110000e+00  5.3990200000e-01 -6.7989000000e-02 -1.4934710000e+00  1.8333000000e-02 -1.3437970000e+00
+ENERGY -1.526589680232e+02
+FORCES -5.8549000000e-03  1.6939000000e-03  1.3318000000e-03  9.1875000000e-03  1.8569000000e-03  1.0989000000e-03 -1.3587000000e-03 -2.0087000000e-03 -2.4375000000e-03 -6.1878000000e-03  1.2399000000e-03 -3.7199000000e-03  3.7080000000e-03 -2.7919000000e-03 -1.4782000000e-03  5.0600000000e-04  9.8000000000e-06  5.2049000000e-03
+
+JOB 43
+COORDS -6.6335600000e-01  1.4348420000e+00  4.7157200000e-01 -1.4874600000e+00  1.4870520000e+00 -1.2535000000e-02 -8.1538000000e-01  7.5883200000e-01  1.1319740000e+00  7.3376200000e-01 -1.3925440000e+00 -5.5135400000e-01  1.3876900000e-01 -1.9969380000e+00 -1.0759300000e-01  1.1175650000e+00 -8.7212000000e-01  1.5439900000e-01
+ENERGY -1.526530370883e+02
+FORCES -4.6169000000e-03 -3.6369000000e-03 -1.8785000000e-03  2.8558000000e-03  4.2040000000e-04  2.7957000000e-03  1.9446000000e-03  2.0278000000e-03 -2.0392000000e-03 -4.1730000000e-04  2.2045000000e-03  4.0943000000e-03  1.7211000000e-03  3.1453000000e-03 -1.3990000000e-03 -1.4874000000e-03 -4.1611000000e-03 -1.5733000000e-03
+
+JOB 44
+COORDS -1.0061020000e+00 -1.2190240000e+00  3.3925800000e-01 -4.2601100000e-01 -1.9143930000e+00  6.4940000000e-01 -1.8815780000e+00 -1.5005970000e+00  6.0476000000e-01  1.0070200000e+00  1.3283510000e+00 -3.9779100000e-01  8.5505300000e-01  4.4441000000e-01 -7.3213800000e-01  1.4991460000e+00  1.1970770000e+00  4.1264700000e-01
+ENERGY -1.526553388620e+02
+FORCES -3.6605000000e-03 -3.6101000000e-03  2.9412000000e-03 -1.4552000000e-03  3.9111000000e-03 -1.8919000000e-03  3.9864000000e-03  7.2090000000e-04 -8.1450000000e-04 -1.9833000000e-03 -5.8891000000e-03  2.8121000000e-03  4.0619000000e-03  4.1518000000e-03 -5.2000000000e-06 -9.4940000000e-04  7.1550000000e-04 -3.0417000000e-03
+
+JOB 45
+COORDS  4.1926600000e-01 -1.6170770000e+00 -5.6765600000e-01  6.0664900000e-01 -8.0129700000e-01 -1.0320080000e+00  3.1606300000e-01 -1.3543410000e+00  3.4697600000e-01 -4.4684500000e-01  1.4911160000e+00  5.4135000000e-01 -8.6851200000e-01  2.2791480000e+00  1.9866400000e-01  3.8500600000e-01  1.8005970000e+00  8.9978700000e-01
+ENERGY -1.526568994502e+02
+FORCES -2.1062000000e-03  7.1234000000e-03  2.5661000000e-03  1.2778000000e-03 -4.4721000000e-03  1.2100000000e-04  2.1112000000e-03 -3.1012000000e-03 -2.6909000000e-03 -2.1040000000e-04  6.1820000000e-03  5.7930000000e-04  2.3207000000e-03 -3.2412000000e-03  1.5282000000e-03 -3.3930000000e-03 -2.4909000000e-03 -2.1036000000e-03
+
+JOB 46
+COORDS -1.3451630000e+00  1.3023000000e-02 -9.6999900000e-01 -1.8118790000e+00 -4.0810200000e-01 -1.6918450000e+00 -1.1644580000e+00  8.9857700000e-01 -1.2852340000e+00  1.3956630000e+00  1.6670000000e-02  1.0313070000e+00  1.3795340000e+00 -6.4098800000e-01  3.3599600000e-01  8.0840600000e-01 -3.2986500000e-01  1.7030770000e+00
+ENERGY -1.526562029811e+02
+FORCES -1.3076000000e-03  3.7772000000e-03 -3.9068000000e-03  2.4798000000e-03  1.4728000000e-03  3.2042000000e-03 -1.6342000000e-03 -4.1145000000e-03  4.2670000000e-04 -5.4217000000e-03 -4.4839000000e-03 -1.5863000000e-03  2.5655000000e-03  2.0731000000e-03  3.2405000000e-03  3.3182000000e-03  1.2753000000e-03 -1.3782000000e-03
+
+JOB 47
+COORDS -8.7075200000e-01  1.4137760000e+00 -6.7317300000e-01 -4.2365000000e-02  1.0278230000e+00 -3.8848400000e-01 -1.5401150000e+00  9.2695200000e-01 -1.9235300000e-01  8.7825400000e-01 -1.3058240000e+00  6.2247500000e-01  6.2730000000e-03 -1.6199240000e+00  8.6168800000e-01  1.4064790000e+00 -2.1002630000e+00  5.4452600000e-01
+ENERGY -1.526571161935e+02
+FORCES  2.5731000000e-03 -4.6228000000e-03  3.3347000000e-03 -5.1375000000e-03  4.2121000000e-03 -1.8523000000e-03  1.8550000000e-03  1.4446000000e-03 -1.6445000000e-03  6.0400000000e-05 -6.5302000000e-03  7.0530000000e-04  3.2899000000e-03  2.4295000000e-03 -1.2700000000e-03 -2.6409000000e-03  3.0668000000e-03  7.2690000000e-04
+
+JOB 48
+COORDS -7.7703100000e-01  1.4367610000e+00  6.0937200000e-01 -8.2530000000e-01  1.7755740000e+00  1.5033010000e+00  9.6111000000e-02  1.0496270000e+00  5.4627500000e-01  7.5646100000e-01 -1.4655100000e+00 -7.0443600000e-01  1.1755300000e+00 -9.1324100000e-01 -4.4427000000e-02 -1.7550400000e-01 -1.4321450000e+00 -4.8865800000e-01
+ENERGY -1.526534370233e+02
+FORCES  3.2323000000e-03  1.9121000000e-03  3.2336000000e-03  4.2060000000e-04 -1.8399000000e-03 -4.1110000000e-03 -3.2836000000e-03 -8.4550000000e-04  1.1063000000e-03 -3.3632000000e-03  1.1533000000e-03  3.1514000000e-03 -2.3514000000e-03  3.5170000000e-04 -2.4375000000e-03  5.3454000000e-03 -7.3170000000e-04 -9.4280000000e-04
+
+JOB 49
+COORDS -1.8354000000e-01 -1.0741400000e+00 -1.3961600000e+00 -8.8489600000e-01 -1.7245810000e+00 -1.4316290000e+00 -5.0974400000e-01 -4.0185500000e-01 -7.9795000000e-01  1.9669600000e-01  1.0476500000e+00  1.3239860000e+00  1.1490030000e+00  9.7536500000e-01  1.3881650000e+00 -5.4332000000e-02  1.5853060000e+00  2.0750810000e+00
+ENERGY -1.526585544561e+02
+FORCES -4.0072000000e-03  1.3932000000e-03  3.8589000000e-03  2.4803000000e-03  2.3367000000e-03  3.5600000000e-05  6.3150000000e-04 -4.8189000000e-03 -5.6675000000e-03  3.7649000000e-03  2.4363000000e-03  4.3438000000e-03 -4.3360000000e-03  9.3700000000e-04  3.3710000000e-04  1.4665000000e-03 -2.2843000000e-03 -2.9079000000e-03
+
+JOB 50
+COORDS  9.6248300000e-01  1.5215010000e+00 -2.3855500000e-01  1.6549770000e+00  1.2262550000e+00 -8.2975300000e-01  1.9049000000e-01  1.6085490000e+00 -7.9773400000e-01 -1.0262030000e+00 -1.5065660000e+00  2.8153400000e-01 -6.4455400000e-01 -1.8434630000e+00  1.0921360000e+00 -2.7494100000e-01 -1.2109080000e+00 -2.3268700000e-01
+ENERGY -1.526553644165e+02
+FORCES -7.4420000000e-04  2.0018000000e-03 -4.4648000000e-03 -3.5545000000e-03 -8.8500000000e-05  2.8811000000e-03  4.1964000000e-03 -1.1845000000e-03  2.0820000000e-03  5.7417000000e-03  1.3245000000e-03  2.5546000000e-03 -1.8182000000e-03  4.7010000000e-04 -3.2819000000e-03 -3.8211000000e-03 -2.5234000000e-03  2.2890000000e-04
+
+JOB 51
+COORDS  1.5916930000e+00  1.9999700000e-01  8.2445500000e-01  8.0229300000e-01 -1.5680900000e-01  1.2316020000e+00  2.3022250000e+00 -3.4814500000e-01  1.1574970000e+00 -1.5198590000e+00 -1.7466200000e-01 -8.4254400000e-01 -2.0717040000e+00  4.8311100000e-01 -4.1942100000e-01 -2.0249520000e+00 -4.5721100000e-01 -1.6049610000e+00
+ENERGY -1.526543793594e+02
+FORCES -1.9009000000e-03 -4.4298000000e-03  1.6990000000e-03  4.3100000000e-03  2.2255000000e-03  5.2410000000e-04 -2.6926000000e-03  2.1805000000e-03 -1.4433000000e-03 -4.0700000000e-03  2.0380000000e-03 -2.9393000000e-03  2.4302000000e-03 -3.2472000000e-03 -1.0725000000e-03  1.9233000000e-03  1.2329000000e-03  3.2321000000e-03
+
+JOB 52
+COORDS -1.7143080000e+00  4.1217800000e-01 -6.1866700000e-01 -1.3459850000e+00  1.2333500000e+00 -9.4462300000e-01 -9.5451000000e-01 -9.4636000000e-02 -3.3217200000e-01  1.6970590000e+00 -3.9278900000e-01  6.0193200000e-01  1.2092560000e+00 -3.2871600000e-01  1.4230130000e+00  1.3479420000e+00 -1.1755990000e+00  1.7583700000e-01
+ENERGY -1.526554467828e+02
+FORCES  6.0612000000e-03  2.4891000000e-03 -5.9050000000e-04 -2.4829000000e-03 -3.1149000000e-03  1.1159000000e-03 -4.4233000000e-03 -2.3610000000e-04 -5.2560000000e-04 -2.0630000000e-04 -4.0741000000e-03  3.4772000000e-03  1.4304000000e-03 -1.3470000000e-04 -4.9300000000e-03 -3.7900000000e-04  5.0707000000e-03  1.4530000000e-03
+
+JOB 53
+COORDS -9.8476900000e-01 -1.5072350000e+00 -5.7954700000e-01 -4.4386700000e-01 -2.2173790000e+00 -9.2502100000e-01 -1.2082430000e+00 -9.8062300000e-01 -1.3469910000e+00  9.9075800000e-01  1.4780860000e+00  6.0460900000e-01  1.2474520000e+00  1.7261440000e+00  1.4927570000e+00  2.3539700000e-01  2.0326580000e+00  4.0938800000e-01
+ENERGY -1.526531547860e+02
+FORCES  2.9694000000e-03  3.9200000000e-05 -4.2623000000e-03 -2.6012000000e-03  2.3864000000e-03  1.2887000000e-03  1.1830000000e-04 -2.0369000000e-03  2.9709000000e-03 -2.9817000000e-03  2.1625000000e-03  3.4170000000e-03 -7.5660000000e-04 -8.2380000000e-04 -3.6498000000e-03  3.2518000000e-03 -1.7275000000e-03  2.3550000000e-04
+
+JOB 54
+COORDS -1.4582120000e+00 -1.0704510000e+00 -3.7100800000e-01 -1.7044300000e+00 -1.8721860000e+00 -8.3234300000e-01 -2.1474290000e+00 -9.4792100000e-01  2.8183000000e-01  1.5025110000e+00  1.0415860000e+00  3.7063500000e-01  1.9775490000e+00  1.6556970000e+00  9.3049100000e-01  1.2106830000e+00  1.5703020000e+00 -3.7201400000e-01
+ENERGY -1.526531806770e+02
+FORCES -3.2900000000e-03 -3.0040000000e-03  1.7077000000e-03  1.0623000000e-03  3.4431000000e-03  1.7647000000e-03  2.4488000000e-03 -4.9300000000e-04 -2.9783000000e-03 -1.3310000000e-04  4.1978000000e-03 -1.6748000000e-03 -2.1296000000e-03 -2.7499000000e-03 -2.0526000000e-03  2.0417000000e-03 -1.3941000000e-03  3.2332000000e-03
+
+JOB 55
+COORDS  1.6995590000e+00  7.2056700000e-01 -5.6906200000e-01  2.2589170000e+00  1.2068560000e+00 -1.1747640000e+00  1.1145180000e+00  2.1658200000e-01 -1.1347100000e+00 -1.6874460000e+00 -6.6166400000e-01  5.9479500000e-01 -1.3291860000e+00 -1.5150230000e+00  3.5054000000e-01 -2.2453480000e+00 -8.4317600000e-01  1.3511220000e+00
+ENERGY -1.526537963071e+02
+FORCES -1.4366000000e-03  3.1480000000e-04 -4.5869000000e-03 -2.2278000000e-03 -1.9326000000e-03  2.5914000000e-03  3.6217000000e-03  1.1824000000e-03  1.6847000000e-03 -7.0590000000e-04 -3.8959000000e-03  3.4908000000e-03 -1.3115000000e-03  3.7562000000e-03  4.8800000000e-05  2.0602000000e-03  5.7510000000e-04 -3.2288000000e-03
+
+JOB 56
+COORDS  6.3038600000e-01 -1.7522830000e+00 -5.9279600000e-01  3.2634300000e-01 -2.0158970000e+00  2.7570700000e-01 -5.8361000000e-02 -2.0479440000e+00 -1.1881480000e+00 -5.1784600000e-01  1.7792620000e+00  5.6998600000e-01 -1.0688720000e+00  2.4425940000e+00  9.8543000000e-01 -1.1307620000e+00  1.0999360000e+00  2.8877100000e-01
+ENERGY -1.526534601313e+02
+FORCES -2.6692000000e-03 -2.8013000000e-03  1.2834000000e-03  6.2370000000e-04  1.1429000000e-03 -3.9641000000e-03  2.4476000000e-03  1.8409000000e-03  2.7514000000e-03 -4.3011000000e-03 -4.1410000000e-04 -2.1750000000e-04  2.4056000000e-03 -2.8973000000e-03 -1.6991000000e-03  1.4934000000e-03  3.1289000000e-03  1.8459000000e-03
+
+JOB 57
+COORDS -9.7445400000e-01  1.4010280000e+00  1.1850290000e+00 -4.9983100000e-01  1.9389190000e+00  5.5128000000e-01 -1.1288250000e+00  5.7345000000e-01  7.2948900000e-01  8.8889800000e-01 -1.3589180000e+00 -1.1256420000e+00  1.3304910000e+00 -1.9782780000e+00 -1.7066930000e+00  1.5493570000e+00 -1.1309130000e+00 -4.7139400000e-01
+ENERGY -1.526564719198e+02
+FORCES  7.2000000000e-04 -1.7188000000e-03 -5.4382000000e-03 -1.5376000000e-03 -1.6806000000e-03  3.0552000000e-03  3.9310000000e-04  4.1273000000e-03  3.1496000000e-03  5.1106000000e-03 -2.6825000000e-03 -2.9270000000e-04 -1.5533000000e-03  2.6305000000e-03  2.5351000000e-03 -3.1329000000e-03 -6.7600000000e-04 -3.0090000000e-03
+
+JOB 58
+COORDS -2.1898900000e-01 -1.4272370000e+00 -1.4768220000e+00 -3.4755000000e-01 -1.3352320000e+00 -5.3276800000e-01  7.3105000000e-01 -1.4101690000e+00 -1.5924380000e+00  1.5071100000e-01  1.4109200000e+00  1.3745330000e+00  3.3585000000e-02  9.0392900000e-01  2.1779470000e+00  7.3596100000e-01  2.1257440000e+00  1.6250170000e+00
+ENERGY -1.526548368866e+02
+FORCES  3.4171000000e-03  2.4143000000e-03  4.0757000000e-03  1.4690000000e-04 -2.3505000000e-03 -3.7790000000e-03 -3.5399000000e-03 -7.7700000000e-04  9.3000000000e-06  1.8353000000e-03  2.5170000000e-03  4.5771000000e-03  5.8630000000e-04  1.3288000000e-03 -4.0062000000e-03 -2.4456000000e-03 -3.1326000000e-03 -8.7680000000e-04
+
+JOB 59
+COORDS  1.1985000000e+00 -1.5444550000e+00  6.4429600000e-01  8.7415700000e-01 -6.6846200000e-01  4.3532300000e-01  1.8254010000e+00 -1.4052440000e+00  1.3541180000e+00 -1.2255470000e+00  1.4172630000e+00 -6.4695100000e-01 -1.7894190000e+00  2.1836770000e+00 -5.4259800000e-01 -4.9225600000e-01  1.7292380000e+00 -1.1772230000e+00
+ENERGY -1.526554915408e+02
+FORCES -2.6060000000e-04  4.4935000000e-03  2.1511000000e-03  3.6725000000e-03 -4.1774000000e-03  6.2220000000e-04 -2.3092000000e-03 -5.5190000000e-04 -2.8558000000e-03 -1.1826000000e-03  5.2264000000e-03 -2.4367000000e-03  2.5160000000e-03 -3.0986000000e-03 -7.0660000000e-04 -2.4361000000e-03 -1.8921000000e-03  3.2258000000e-03
+
+JOB 60
+COORDS -7.7710000000e-03 -1.7070810000e+00  1.1304470000e+00  4.9916000000e-02 -1.1368660000e+00  1.8971010000e+00  1.0641800000e-01 -2.5909710000e+00  1.4796330000e+00  2.7842000000e-02  1.7324560000e+00 -1.2642040000e+00  4.5535600000e-01  1.4753650000e+00 -4.4727800000e-01 -8.9138100000e-01  1.8534790000e+00 -1.0262640000e+00
+ENERGY -1.526541296221e+02
+FORCES  7.4940000000e-04 -2.6722000000e-03  4.5643000000e-03 -1.8790000000e-04 -1.4781000000e-03 -3.7608000000e-03 -5.5700000000e-04  3.7901000000e-03 -1.3039000000e-03 -2.1092000000e-03 -2.2646000000e-03  4.2859000000e-03 -1.5442000000e-03  2.4208000000e-03 -2.8610000000e-03  3.6489000000e-03  2.0410000000e-04 -9.2450000000e-04
+
+JOB 61
+COORDS -1.8830600000e+00 -6.6374500000e-01  7.8968700000e-01 -2.2734930000e+00 -1.5322760000e+00  6.9249100000e-01 -2.0407440000e+00 -2.3428100000e-01 -5.1103000000e-02  1.9004680000e+00  7.4720000000e-01 -7.6639800000e-01  1.2668540000e+00  9.7641000000e-02 -4.6170400000e-01  2.7526690000e+00  3.7895700000e-01 -5.3319500000e-01
+ENERGY -1.526555432401e+02
+FORCES -4.0190000000e-03 -1.5075000000e-03 -3.3027000000e-03  1.9140000000e-03  3.6625000000e-03  3.2430000000e-04  1.5037000000e-03 -2.3243000000e-03  3.5703000000e-03  6.6440000000e-04 -4.1967000000e-03  3.1884000000e-03  3.1902000000e-03  2.9213000000e-03 -2.6779000000e-03 -3.2532000000e-03  1.4448000000e-03 -1.1025000000e-03
+
+JOB 62
+COORDS  7.0382000000e-01  2.0837120000e+00 -2.5855400000e-01  1.1210700000e-01  1.8504070000e+00 -9.7386900000e-01  1.4705100000e-01  2.5349450000e+00  3.7597600000e-01 -6.4294100000e-01 -2.0351740000e+00  2.3063500000e-01 -2.9237400000e-01 -2.2684150000e+00  1.0902480000e+00 -9.9034600000e-01 -2.8562700000e+00 -1.1770800000e-01
+ENERGY -1.526543721276e+02
+FORCES -5.1775000000e-03 -4.3410000000e-04 -4.4260000000e-04  2.5431000000e-03  2.0472000000e-03  2.5156000000e-03  2.3916000000e-03 -1.4566000000e-03 -2.3671000000e-03  7.5220000000e-04 -4.2806000000e-03  2.4326000000e-03 -1.8470000000e-03  6.2930000000e-04 -3.4562000000e-03  1.3377000000e-03  3.4948000000e-03  1.3176000000e-03
+
+JOB 63
+COORDS  5.8217700000e-01  2.1153580000e+00 -7.2307800000e-01  1.0033950000e+00  1.3776600000e+00 -1.1642220000e+00  6.2776800000e-01  1.8962450000e+00  2.0759000000e-01 -5.6330200000e-01 -2.0440080000e+00  7.3724200000e-01 -1.3200900000e+00 -1.4933080000e+00  5.3665800000e-01 -6.6338300000e-01 -2.8063410000e+00  1.6709900000e-01
+ENERGY -1.526554591260e+02
+FORCES  2.5650000000e-03 -4.2778000000e-03  2.3525000000e-03 -1.8829000000e-03  3.3734000000e-03  1.2685000000e-03 -5.9730000000e-04  1.4330000000e-03 -3.8636000000e-03 -4.1397000000e-03 -1.5353000000e-03 -2.9546000000e-03  3.5619000000e-03 -2.2348000000e-03  9.2110000000e-04  4.9300000000e-04  3.2415000000e-03  2.2761000000e-03
+
+JOB 64
+COORDS -1.4172650000e+00 -1.7578080000e+00 -5.2731000000e-02 -1.5782820000e+00 -2.4416710000e+00 -7.0283600000e-01 -9.6735600000e-01 -2.2076760000e+00  6.6241500000e-01  1.4207080000e+00  1.8237680000e+00 -9.5200000000e-03  8.0896000000e-01  2.4504550000e+00  3.7682100000e-01  1.6493510000e+00  1.2363340000e+00  7.1081100000e-01
+ENERGY -1.526536701763e+02
+FORCES  1.3081000000e-03 -4.6424000000e-03 -4.2340000000e-04  5.2340000000e-04  2.6827000000e-03  2.8353000000e-03 -1.7088000000e-03  2.1087000000e-03 -2.6409000000e-03 -2.6176000000e-03 -4.8230000000e-04  4.2545000000e-03  2.8545000000e-03 -2.1427000000e-03 -1.4174000000e-03 -3.5960000000e-04  2.4760000000e-03 -2.6081000000e-03
+
+JOB 65
+COORDS  7.5492600000e-01 -1.7873480000e+00  1.2156420000e+00  2.4512400000e-01 -2.3114350000e+00  5.9785000000e-01  1.5307290000e+00 -2.3177920000e+00  1.3972720000e+00 -8.0806000000e-01  1.8039230000e+00 -1.2187790000e+00 -8.7543700000e-01  2.1323940000e+00 -3.2223100000e-01 -1.1081200000e-01  2.3270560000e+00 -1.6142650000e+00
+ENERGY -1.526544680100e+02
+FORCES  7.3310000000e-04 -4.1898000000e-03 -2.4126000000e-03  2.2724000000e-03  1.6664000000e-03  2.9522000000e-03 -3.0664000000e-03  2.2254000000e-03 -6.8540000000e-04  3.0630000000e-03  3.0033000000e-03  2.7722000000e-03 -1.0430000000e-04 -7.5760000000e-04 -3.9751000000e-03 -2.8978000000e-03 -1.9477000000e-03  1.3487000000e-03
+
+JOB 66
+COORDS -1.2644340000e+00 -1.1597090000e+00  1.6689000000e+00 -1.8393800000e+00 -1.9201390000e+00  1.7550120000e+00 -1.5396600000e+00 -7.4194100000e-01  8.5284100000e-01  1.2755440000e+00  1.2262810000e+00 -1.6035850000e+00  1.3736080000e+00  9.2240500000e-01 -2.5059570000e+00  1.8902170000e+00  6.9081800000e-01 -1.1018990000e+00
+ENERGY -1.526549660217e+02
+FORCES -3.5907000000e-03 -8.0040000000e-04 -3.1302000000e-03  2.3777000000e-03  2.9946000000e-03 -3.8780000000e-04  8.5020000000e-04 -2.3998000000e-03  3.6932000000e-03  3.5559000000e-03 -3.2461000000e-03 -1.3677000000e-03 -6.1490000000e-04  1.1665000000e-03  3.6959000000e-03 -2.5782000000e-03  2.2852000000e-03 -2.5034000000e-03
+
+JOB 67
+COORDS -6.3324300000e-01 -2.0204280000e+00  1.1479410000e+00 -3.7981800000e-01 -2.9272050000e+00  1.3204610000e+00 -4.4889900000e-01 -1.5598320000e+00  1.9665380000e+00  5.9594000000e-01  1.9793530000e+00 -1.2192310000e+00  1.4437140000e+00  2.3813630000e+00 -1.0297600000e+00 -3.0568000000e-02  2.7004780000e+00 -1.1584120000e+00
+ENERGY -1.526532140959e+02
+FORCES  2.0693000000e-03 -1.3405000000e-03  3.7285000000e-03 -1.0628000000e-03  3.6633000000e-03 -7.1650000000e-04 -9.0100000000e-04 -2.0985000000e-03 -3.0466000000e-03  6.7920000000e-04  4.3055000000e-03  9.3690000000e-04 -3.4370000000e-03 -1.6596000000e-03 -6.9530000000e-04  2.6522000000e-03 -2.8702000000e-03 -2.0700000000e-04
+
+JOB 68
+COORDS -3.0916700000e-01 -2.4660100000e+00  1.6919700000e-01 -1.3580100000e-01 -1.5297650000e+00  7.1101000000e-02  1.6546600000e-01 -2.8750740000e+00 -5.5442000000e-01  2.2417900000e-01  2.4734400000e+00 -1.0357100000e-01  6.7325700000e-01  2.5211740000e+00 -9.4753900000e-01  6.8158400000e-01  1.7805690000e+00  3.7281300000e-01
+ENERGY -1.526535100958e+02
+FORCES  2.0010000000e-03  1.9712000000e-03 -3.5929000000e-03  1.4460000000e-04 -3.7293000000e-03  6.8630000000e-04 -1.8230000000e-03  1.8336000000e-03  3.0615000000e-03  3.9948000000e-03 -1.4391000000e-03 -1.2225000000e-03 -1.9779000000e-03 -6.3670000000e-04  3.5980000000e-03 -2.3396000000e-03  2.0004000000e-03 -2.5303000000e-03
+
+JOB 69
+COORDS -4.6067200000e-01 -8.1300400000e-01 -2.4486460000e+00 -1.3145190000e+00 -4.1896100000e-01 -2.6272720000e+00 -6.6421400000e-01 -1.6914650000e+00 -2.1275410000e+00  5.2367100000e-01  7.7672500000e-01  2.4668360000e+00  4.8344800000e-01  9.9044700000e-01  1.5346680000e+00  3.6829700000e-01  1.6102370000e+00  2.9110740000e+00
+ENERGY -1.526548425958e+02
+FORCES -4.3807000000e-03 -2.5670000000e-03  2.3540000000e-04  3.5936000000e-03 -1.3986000000e-03  9.0300000000e-04  7.8690000000e-04  3.7694000000e-03 -1.4163000000e-03 -5.0160000000e-04  4.1796000000e-03 -2.3957000000e-03 -3.6400000000e-05 -6.3550000000e-04  4.4217000000e-03  5.3820000000e-04 -3.3479000000e-03 -1.7482000000e-03
+
+JOB 70
+COORDS  1.2384420000e+00 -3.4581000000e-01 -2.3365960000e+00  2.0554200000e+00  1.5103200000e-01 -2.3804950000e+00  1.2130340000e+00 -6.8741000000e-01 -1.4427870000e+00 -1.2821910000e+00  3.4084500000e-01  2.2266900000e+00 -1.7936980000e+00  8.7333800000e-01  2.8358240000e+00 -8.0876400000e-01 -2.7526500000e-01  2.7857130000e+00
+ENERGY -1.526541852536e+02
+FORCES  2.6318000000e-03  9.7820000000e-04  3.9571000000e-03 -3.1470000000e-03 -2.0747000000e-03  5.0000000000e-05  7.0330000000e-04  9.4910000000e-04 -3.9394000000e-03 -7.3540000000e-04 -8.3200000000e-05  4.8988000000e-03  2.1834000000e-03 -2.2529000000e-03 -2.3990000000e-03 -1.6361000000e-03  2.4835000000e-03 -2.5676000000e-03
+
+JOB 71
+COORDS -2.3275800000e-01 -1.5184570000e+00 -2.6188860000e+00 -1.2273100000e-01 -1.1098050000e+00 -1.7603240000e+00 -8.8000000000e-01 -9.7138900000e-01 -3.0638880000e+00  2.2080700000e-01  1.4976920000e+00  2.6253970000e+00 -2.7380000000e-03  8.1538500000e-01  1.9923750000e+00  1.1778340000e+00  1.5146460000e+00  2.6320460000e+00
+ENERGY -1.526535852469e+02
+FORCES -2.3939000000e-03  3.8977000000e-03  1.2877000000e-03 -2.9570000000e-04 -1.6062000000e-03 -3.0545000000e-03  2.7446000000e-03 -2.2883000000e-03  1.9459000000e-03  3.1909000000e-03 -2.6838000000e-03 -2.0683000000e-03  8.2350000000e-04  2.7819000000e-03  2.0693000000e-03 -4.0694000000e-03 -1.0120000000e-04 -1.8010000000e-04
+
+JOB 72
+COORDS  8.4540700000e-01 -2.0552620000e+00 -2.0464380000e+00  4.2857100000e-01 -2.2143100000e+00 -2.8933040000e+00  1.3567740000e+00 -2.8467450000e+00 -1.8782380000e+00 -8.7836300000e-01  2.1701680000e+00  2.1047230000e+00 -1.3583500000e+00  1.3965700000e+00  1.8091040000e+00  4.2492000000e-02  1.9126930000e+00  2.0604040000e+00
+ENERGY -1.526546651901e+02
+FORCES  4.6380000000e-04 -3.9320000000e-03 -3.0849000000e-03  1.6969000000e-03  5.9810000000e-04  3.5275000000e-03 -2.1233000000e-03  3.2725000000e-03 -5.9450000000e-04  1.9507000000e-03 -4.4275000000e-03 -1.8218000000e-03  1.7035000000e-03  3.2600000000e-03  1.4781000000e-03 -3.6916000000e-03  1.2289000000e-03  4.9560000000e-04
+
+JOB 73
+COORDS -1.6713180000e+00  1.4082330000e+00 -2.1091460000e+00 -1.9341580000e+00  1.7827170000e+00 -2.9499250000e+00 -2.4170180000e+00  8.7072600000e-01 -1.8422190000e+00  1.7797610000e+00 -1.3759280000e+00  2.1164350000e+00  9.4104600000e-01 -9.4203900000e-01  2.2730570000e+00  1.6767920000e+00 -2.2446500000e+00  2.5049600000e+00
+ENERGY -1.526538734632e+02
+FORCES -3.9506000000e-03 -6.6230000000e-04 -2.5780000000e-03  1.0090000000e-03 -1.5301000000e-03  3.4658000000e-03  3.0300000000e-03  2.1848000000e-03 -9.0190000000e-04 -3.9104000000e-03 -1.4920000000e-03  1.9538000000e-03  3.4049000000e-03 -1.9914000000e-03 -3.7020000000e-04  4.1710000000e-04  3.4911000000e-03 -1.5695000000e-03
+
+JOB 74
+COORDS -2.0434210000e+00 -1.2409000000e-01  2.2500350000e+00 -2.9657680000e+00 -3.7239400000e-01  2.3121060000e+00 -1.6370870000e+00 -5.1494700000e-01  3.0235700000e+00  2.0939760000e+00  2.2155200000e-01 -2.2906790000e+00  2.3824720000e+00 -4.5576600000e-01 -2.9024320000e+00  1.3713090000e+00 -1.8161700000e-01 -1.8095980000e+00
+ENERGY -1.526544077026e+02
+FORCES -2.2267000000e-03 -2.3490000000e-03  3.6953000000e-03  3.8197000000e-03  9.3340000000e-04 -3.1210000000e-04 -1.6664000000e-03  1.4905000000e-03 -3.2729000000e-03 -2.0926000000e-03 -4.2579000000e-03 -2.4780000000e-04 -1.1029000000e-03  2.7150000000e-03  2.4325000000e-03  3.2689000000e-03  1.4680000000e-03 -2.2950000000e-03
+
+JOB 75
+COORDS -1.1946600000e-01 -8.0431200000e-01 -3.0343140000e+00  3.8150700000e-01 -1.5169900000e-01 -2.5450750000e+00  4.5055400000e-01 -1.0468340000e+00 -3.7640340000e+00  3.5950000000e-02  7.6083300000e-01  2.9968560000e+00  4.3265200000e-01  2.0802000000e-01  3.6701000000e+00  2.1708600000e-01  1.6558550000e+00  3.2838350000e+00
+ENERGY -1.526540794071e+02
+FORCES  4.2962000000e-03  1.7517000000e-03 -5.3570000000e-04 -1.9192000000e-03 -2.6461000000e-03 -2.4174000000e-03 -2.3118000000e-03  9.5530000000e-04  2.9081000000e-03  2.1379000000e-03  1.2497000000e-03  4.0940000000e-03 -1.5479000000e-03  2.3346000000e-03 -2.7647000000e-03 -6.5530000000e-04 -3.6453000000e-03 -1.2843000000e-03
+
+JOB 76
+COORDS -4.3372400000e-01 -2.1227190000e+00 -3.2078030000e+00 -2.3362600000e-01 -2.4736520000e+00 -2.3400250000e+00 -1.2906140000e+00 -1.7081520000e+00 -3.1072800000e+00  5.2301300000e-01  2.0872970000e+00  3.1213790000e+00 -2.7890600000e-01  1.6740360000e+00  3.4413380000e+00  4.1722600000e-01  3.0142210000e+00  3.3355100000e+00
+ENERGY -1.526540704530e+02
+FORCES -2.5155000000e-03  4.0800000000e-04  4.0683000000e-03 -9.2210000000e-04  1.3130000000e-03 -3.5955000000e-03  3.4051000000e-03 -1.7382000000e-03 -4.5340000000e-04 -3.5948000000e-03  2.2459000000e-03  2.2545000000e-03  3.2380000000e-03  1.5933000000e-03 -1.4031000000e-03  3.8940000000e-04 -3.8220000000e-03 -8.7080000000e-04
+
+JOB 77
+COORDS  6.7921000000e-02 -1.7877740000e+00 -3.6612030000e+00 -8.6820700000e-01 -1.6566870000e+00 -3.8119090000e+00  1.6981500000e-01 -1.7210010000e+00 -2.7117870000e+00 -7.8905000000e-02  1.7851110000e+00  3.6481860000e+00  1.4294400000e-01  1.9266810000e+00  2.7278750000e+00  7.3695200000e-01  1.4840520000e+00  4.0481510000e+00
+ENERGY -1.526540562100e+02
+FORCES -3.5160000000e-03  6.8300000000e-04  3.1894000000e-03  3.8689000000e-03 -4.9670000000e-04  6.3190000000e-04 -3.2360000000e-04 -1.6330000000e-04 -3.8290000000e-03  4.3222000000e-03 -4.8590000000e-04 -1.9728000000e-03 -9.8160000000e-04 -7.1850000000e-04  3.6740000000e-03 -3.3700000000e-03  1.1813000000e-03 -1.6934000000e-03
+
+JOB 78
+COORDS  1.3568830000e+00 -2.9867640000e+00  3.1425660000e+00  1.9941700000e+00 -3.6751300000e+00  2.9521730000e+00  9.4936000000e-01 -3.2578550000e+00  3.9651630000e+00 -1.3571140000e+00  2.9705340000e+00 -3.1909510000e+00 -1.7681350000e+00  3.3952120000e+00 -2.4379950000e+00 -1.1205090000e+00  3.6920140000e+00 -3.7738030000e+00
+ENERGY -1.526539675697e+02
+FORCES  9.2760000000e-04 -3.9282000000e-03  2.4783000000e-03 -2.5892000000e-03  2.8031000000e-03  8.2580000000e-04  1.6615000000e-03  1.1255000000e-03 -3.3302000000e-03 -6.5640000000e-04  4.6089000000e-03  8.2280000000e-04  1.6315000000e-03 -1.6732000000e-03 -3.1374000000e-03 -9.7500000000e-04 -2.9361000000e-03  2.3406000000e-03
+
+JOB 79
+COORDS -3.1823430000e+00  2.0648370000e+00  2.6102710000e+00 -3.5941700000e+00  1.4516680000e+00  3.2190860000e+00 -2.3626860000e+00  2.3133090000e+00  3.0376530000e+00  3.2197960000e+00 -2.0226820000e+00 -2.6738560000e+00  2.9506070000e+00 -2.9410740000e+00 -2.6557880000e+00  2.3980700000e+00 -1.5317890000e+00 -2.6784760000e+00
+ENERGY -1.526541776499e+02
+FORCES  1.6445000000e-03 -1.4028000000e-03  4.3036000000e-03  1.6887000000e-03  2.4677000000e-03 -2.5185000000e-03 -3.3493000000e-03 -1.0517000000e-03 -1.7774000000e-03 -4.5038000000e-03 -1.7044000000e-03  9.7000000000e-06  1.1219000000e-03  3.7224000000e-03 -5.2100000000e-05  3.3980000000e-03 -2.0312000000e-03  3.4600000000e-05
+
+JOB 80
+COORDS -9.7994700000e-01 -4.6235270000e+00  6.7603900000e-01 -5.6189200000e-01 -5.1686850000e+00  9.5070000000e-03 -3.9107900000e-01 -3.8758900000e+00  7.7853100000e-01  9.8926600000e-01  4.6117200000e+00 -6.5125400000e-01  4.6258600000e-01  4.5440080000e+00  1.4514800000e-01  3.4876500000e-01  4.7231310000e+00 -1.3538040000e+00
+ENERGY -1.526541702070e+02
+FORCES  4.1677000000e-03  8.0410000000e-04 -2.3042000000e-03 -1.7276000000e-03  2.2175000000e-03  2.7144000000e-03 -2.4519000000e-03 -3.0370000000e-03 -4.0580000000e-04 -4.7952000000e-03  2.7980000000e-04  3.8660000000e-04  2.1748000000e-03  2.2620000000e-04 -3.2537000000e-03  2.6322000000e-03 -4.9070000000e-04  2.8626000000e-03
+
+JOB 81
+COORDS -2.0587650000e+00 -1.5085460000e+00 -4.0589110000e+00 -2.4941490000e+00 -1.2699630000e+00 -3.2405290000e+00 -1.9605850000e+00 -6.8041600000e-01 -4.5287990000e+00  2.0925590000e+00  1.4138420000e+00  3.9902990000e+00  1.4816550000e+00  1.1741430000e+00  4.6871290000e+00  2.4370950000e+00  2.2664510000e+00  4.2559770000e+00
+ENERGY -1.526540785006e+02
+FORCES -1.2550000000e-03  4.3753000000e-03  1.5196000000e-03  1.6904000000e-03 -9.8670000000e-04 -3.3829000000e-03 -4.4720000000e-04 -3.3790000000e-03  1.8658000000e-03 -1.0094000000e-03  2.4582000000e-03  3.9719000000e-03  2.4576000000e-03  9.9870000000e-04 -2.8708000000e-03 -1.4365000000e-03 -3.4665000000e-03 -1.1035000000e-03
+
+JOB 82
+COORDS -2.8399960000e+00  3.9170200000e-01 -4.1163720000e+00 -3.7558320000e+00  1.5331700000e-01 -3.9726740000e+00 -2.4096510000e+00 -4.3330500000e-01 -4.3408670000e+00  2.8449730000e+00 -3.6373700000e-01  4.0580360000e+00  3.5410920000e+00  2.8395200000e-01  4.1682570000e+00  2.4658800000e+00 -4.5964800000e-01  4.9317180000e+00
+ENERGY -1.526540523716e+02
+FORCES -1.9055000000e-03 -4.3740000000e-03 -2.2920000000e-04  3.7028000000e-03  9.8940000000e-04 -6.1760000000e-04 -1.7955000000e-03  3.3717000000e-03  8.5040000000e-04  1.2715000000e-03  2.3191000000e-03  3.9740000000e-03 -2.8223000000e-03 -2.6687000000e-03 -4.2480000000e-04  1.5490000000e-03  3.6250000000e-04 -3.5527000000e-03
+
+JOB 83
+COORDS  3.5583140000e+00 -3.5980240000e+00 -1.3464890000e+00  3.9003430000e+00 -4.3781100000e+00 -9.0978100000e-01  4.2080410000e+00 -3.3954940000e+00 -2.0195930000e+00 -3.6396370000e+00  3.6253960000e+00  1.4220900000e+00 -3.2829250000e+00  2.9459550000e+00  8.4994600000e-01 -3.5889070000e+00  4.4276810000e+00  9.0247700000e-01
+ENERGY -1.526541447791e+02
+FORCES  4.0693000000e-03 -2.3951000000e-03 -9.2680000000e-04 -1.3945000000e-03  3.1878000000e-03 -1.7988000000e-03 -2.6669000000e-03 -8.0400000000e-04  2.7319000000e-03  1.7246000000e-03  4.2540000000e-04 -4.4587000000e-03 -1.5040000000e-03  2.8229000000e-03  2.3297000000e-03 -2.2850000000e-04 -3.2369000000e-03  2.1228000000e-03
+
+JOB 84
+COORDS  4.8850320000e+00  1.7563100000e+00 -1.3600170000e+00  5.0291740000e+00  1.3481630000e+00 -2.2137560000e+00  4.5855160000e+00  1.0406300000e+00 -7.9937100000e-01 -4.9308220000e+00 -1.6695790000e+00  1.4087030000e+00 -4.8877690000e+00 -2.1331620000e+00  5.7236000000e-01 -4.0284350000e+00 -1.6662000000e+00  1.7279500000e+00
+ENERGY -1.526539915811e+02
+FORCES -5.6960000000e-04 -4.5476000000e-03 -1.2089000000e-03 -6.1860000000e-04  1.6472000000e-03  3.4999000000e-03  1.1750000000e-03  2.9013000000e-03 -2.2876000000e-03  3.8245000000e-03 -1.8426000000e-03 -2.1008000000e-03 -1.5060000000e-04  1.8804000000e-03  3.4149000000e-03 -3.6608000000e-03 -3.8800000000e-05 -1.3175000000e-03
+
+JOB 85
+COORDS  1.0468860000e+00 -5.6606500000e+00  2.4641290000e+00  8.8835700000e-01 -6.4504320000e+00  2.9811830000e+00  1.9752250000e+00 -5.7059460000e+00  2.2352910000e+00 -1.0802060000e+00  5.7692180000e+00 -2.5119450000e+00 -1.4000790000e+00  4.9595440000e+00 -2.9098650000e+00 -9.9528300000e-01  5.5620140000e+00 -1.5813070000e+00
+ENERGY -1.526541487544e+02
+FORCES  3.1482000000e-03 -3.4412000000e-03  1.1886000000e-03  6.4460000000e-04  3.2294000000e-03 -2.1114000000e-03 -3.7922000000e-03  2.0320000000e-04  9.2660000000e-04 -9.6360000000e-04 -4.1844000000e-03  2.1907000000e-03  1.3040000000e-03  3.3206000000e-03  1.6026000000e-03 -3.4100000000e-04  8.7230000000e-04 -3.7971000000e-03
+
+JOB 86
+COORDS  5.7738700000e+00 -1.4849260000e+00 -4.1578310000e+00  5.6493740000e+00 -5.4064000000e-01 -4.0626620000e+00  5.5390060000e+00 -1.8453390000e+00 -3.3027440000e+00 -5.7290060000e+00  1.4019230000e+00  4.1352170000e+00 -6.2778650000e+00  1.5298270000e+00  3.3615070000e+00 -5.6738550000e+00  2.2692530000e+00  4.5363760000e+00
+ENERGY -1.526540954160e+02
+FORCES -1.4763000000e-03  2.3690000000e-03  3.8930000000e-03  5.1190000000e-04 -3.8429000000e-03 -3.9870000000e-04  9.6660000000e-04  1.4753000000e-03 -3.4962000000e-03 -2.0508000000e-03  4.0547000000e-03 -1.5057000000e-03  2.2561000000e-03 -5.1860000000e-04  3.1512000000e-03 -2.0750000000e-04 -3.5374000000e-03 -1.6436000000e-03
+
+JOB 87
+COORDS -7.0916610000e+00 -2.5858310000e+00  1.1426200000e-01 -6.8224890000e+00 -2.3789750000e+00 -7.8071800000e-01 -8.0275550000e+00 -2.7746440000e+00  4.5815000000e-02  7.1908180000e+00  2.5798860000e+00 -3.3731000000e-02  6.3793070000e+00  2.2281570000e+00  3.3228700000e-01  6.9209030000e+00  3.0130780000e+00 -8.4349700000e-01
+ENERGY -1.526540852884e+02
+FORCES -2.7451000000e-03  5.5000000000e-05 -3.9228000000e-03 -1.0801000000e-03 -8.3240000000e-04  3.6507000000e-03  3.8244000000e-03  7.7640000000e-04  2.7440000000e-04 -4.4221000000e-03  3.2480000000e-04 -1.7925000000e-03  3.3170000000e-03  1.4400000000e-03 -1.5040000000e-03  1.1059000000e-03 -1.7638000000e-03  3.2941000000e-03
+
+JOB 88
+COORDS  4.5861040000e+00 -6.5040850000e+00 -5.5430100000e-01  4.8139450000e+00 -6.4167120000e+00 -1.4798750000e+00  4.2829850000e+00 -7.4077220000e+00 -4.6603200000e-01 -4.6370440000e+00  6.5263170000e+00  5.8268400000e-01 -3.8663440000e+00  6.7859670000e+00  7.7872000000e-02 -4.4235930000e+00  6.7628880000e+00  1.4852940000e+00
+ENERGY -1.526540852631e+02
+FORCES -3.2140000000e-04 -3.3348000000e-03 -3.4175000000e-03 -9.2220000000e-04 -3.5250000000e-04  3.7763000000e-03  1.2431000000e-03  3.6859000000e-03 -3.5920000000e-04  4.0300000000e-03  2.0040000000e-03  1.6311000000e-03 -3.1507000000e-03 -1.0483000000e-03  2.0525000000e-03 -8.7870000000e-04 -9.5420000000e-04 -3.6832000000e-03
+
+JOB 89
+COORDS  1.7387640000e+00 -6.3761850000e+00 -6.3847300000e+00  1.5930850000e+00 -6.2382350000e+00 -7.3206670000e+00  2.4568880000e+00 -7.0077580000e+00 -6.3441560000e+00 -1.8255170000e+00  6.4210910000e+00  6.4099430000e+00 -1.1510430000e+00  6.9685090000e+00  6.8120000000e+00 -1.4719600000e+00  5.5327240000e+00  6.4550290000e+00
+ENERGY -1.526540764097e+02
+FORCES  2.3269000000e-03 -2.0124000000e-03 -3.6589000000e-03  5.9850000000e-04 -5.6430000000e-04  3.8195000000e-03 -2.9263000000e-03  2.5770000000e-03 -1.6130000000e-04  4.1943000000e-03 -1.4046000000e-03  1.8099000000e-03 -2.7521000000e-03 -2.2268000000e-03 -1.6351000000e-03 -1.4413000000e-03  3.6312000000e-03 -1.7400000000e-04
+
+JOB 0
+COORDS  7.6058700000e-01 -1.0947610000e+00  1.4922800000e-01  2.7703500000e-01 -2.7081000000e-01  2.0850200000e-01  1.0025600000e-01 -1.7717340000e+00  2.9722800000e-01 -6.4719800000e-01  1.0488550000e+00 -1.3054600000e-01 -7.2691700000e-01  2.0015990000e+00 -1.7698300000e-01 -1.4167010000e+00  7.2068500000e-01 -5.9573600000e-01
+ENERGY -1.526562032572e+02
+FORCES -9.3756000000e-03  1.5631500000e-02 -2.6310000000e-04 -2.8380000000e-04 -7.0456000000e-03 -3.8230000000e-04  1.4560000000e-04  3.4764000000e-03 -1.5006000000e-03  7.4756000000e-03 -8.8580000000e-03  1.1880000000e-04 -1.7836000000e-03 -5.0009000000e-03 -1.3763000000e-03  3.8218000000e-03  1.7966000000e-03  3.4035000000e-03
+
+JOB 1
+COORDS -1.4952700000e-01 -1.0798950000e+00 -7.1558000000e-01  5.2877700000e-01 -1.6489200000e+00 -3.5178700000e-01  3.1348400000e-01 -5.2623400000e-01 -1.3443200000e+00  2.7155000000e-02  1.1204340000e+00  7.5484000000e-01 -7.4610000000e-03  2.0803900000e-01  4.6749300000e-01  9.5277600000e-01  1.3564200000e+00  6.9346200000e-01
+ENERGY -1.526552954072e+02
+FORCES  2.8520000000e-03  6.2017000000e-03 -1.0472000000e-03 -3.3709000000e-03  7.1316000000e-03  5.4890000000e-04 -1.1140000000e-03 -2.3499000000e-03  6.5054000000e-03 -1.2209000000e-03 -1.5646700000e-02 -8.1035000000e-03  5.7447000000e-03  7.4503000000e-03  4.0219000000e-03 -2.8909000000e-03 -2.7869000000e-03 -1.9255000000e-03
+
+JOB 2
+COORDS -1.1874620000e+00  2.2108000000e-01  3.1886500000e-01 -1.9694100000e+00 -1.9880200000e-01  6.7731800000e-01 -1.2892090000e+00  1.1467310000e+00  5.4033600000e-01  1.2760890000e+00 -2.3200100000e-01 -3.9215400000e-01  4.2543100000e-01  1.4295100000e-01 -1.6406800000e-01  1.3588570000e+00 -1.0004100000e+00  1.7258500000e-01
+ENERGY -1.526551446321e+02
+FORCES  8.8871000000e-03 -4.6276000000e-03 -2.1081000000e-03  3.1436000000e-03  3.8405000000e-03 -9.0680000000e-04  2.5230000000e-03 -5.9060000000e-03 -1.7621000000e-03 -1.8677100000e-02 -1.2663000000e-03  7.1595000000e-03  3.3966000000e-03  6.8810000000e-03 -8.1160000000e-04  7.2660000000e-04  1.0784000000e-03 -1.5709000000e-03
+
+JOB 3
+COORDS -5.5750900000e-01 -7.1806900000e-01  8.6934700000e-01 -1.2739690000e+00 -8.2486200000e-01  1.4950560000e+00 -2.7599800000e-01 -1.6114180000e+00  6.7208600000e-01  5.7889900000e-01  7.9411900000e-01 -9.6708900000e-01  4.4911000000e-02  2.1898000000e-01 -4.1908900000e-01  1.2229520000e+00  1.1683430000e+00 -3.6593800000e-01
+ENERGY -1.526585301812e+02
+FORCES  1.2883000000e-03  4.5505000000e-03 -5.1681000000e-03  4.5590000000e-03 -1.5372000000e-03 -2.4395000000e-03 -2.1066000000e-03  5.5945000000e-03  6.9980000000e-04 -6.9778000000e-03 -7.0563000000e-03  1.4593400000e-02  4.3521000000e-03 -7.8390000000e-04 -5.9479000000e-03 -1.1150000000e-03 -7.6750000000e-04 -1.7377000000e-03
+
+JOB 4
+COORDS -3.5351000000e-02 -1.2027570000e+00 -5.8765100000e-01 -6.2184500000e-01 -1.5218400000e+00 -1.2735390000e+00  6.4048400000e-01 -7.1445100000e-01 -1.0577960000e+00  5.4095000000e-02  1.2510090000e+00  6.2095900000e-01 -2.1563700000e-01  1.1527080000e+00  1.5340930000e+00 -6.3416000000e-02  3.8036600000e-01  2.4095300000e-01
+ENERGY -1.526588772699e+02
+FORCES -7.6940000000e-04  2.8231000000e-03 -3.0396000000e-03  3.9717000000e-03  1.4297000000e-03  2.8471000000e-03 -7.0248000000e-03  9.0990000000e-04  6.0775000000e-03 -3.7263000000e-03 -1.2955600000e-02 -1.5686000000e-03  3.9140000000e-04 -1.0220000000e-04 -2.7439000000e-03  7.1575000000e-03  7.8952000000e-03 -1.5725000000e-03
+
+JOB 5
+COORDS -5.1236000000e-02 -1.2442030000e+00 -6.1889400000e-01  6.5301400000e-01 -1.4470710000e+00 -1.2346120000e+00 -4.6879000000e-02 -2.8911400000e-01 -5.5551000000e-01  3.2604000000e-02  1.1689360000e+00  5.9637700000e-01 -6.6915400000e-01  1.8103780000e+00  7.0736700000e-01  3.4919600000e-01  1.0035120000e+00  1.4844290000e+00
+ENERGY -1.526600083735e+02
+FORCES  1.1656000000e-03  1.1622700000e-02  3.8198000000e-03 -1.7121000000e-03  2.1543000000e-03  2.6052000000e-03 -2.1610000000e-04 -7.6469000000e-03 -5.9160000000e-03 -6.3620000000e-04 -5.8540000000e-03  2.9847000000e-03  3.2818000000e-03 -3.4518000000e-03  2.5000000000e-06 -1.8831000000e-03  3.1758000000e-03 -3.4962000000e-03
+
+JOB 6
+COORDS  1.0600000000e-03  9.1712700000e-01 -9.1046900000e-01  7.2878300000e-01  1.1633260000e+00 -1.4814660000e+00 -7.0305600000e-01  1.5217010000e+00 -1.1448670000e+00 -2.3970000000e-02 -9.6105200000e-01  1.0202680000e+00  3.4765400000e-01 -3.2461500000e-01  4.0946800000e-01 -1.4515000000e-02 -1.7887820000e+00  5.3963800000e-01
+ENERGY -1.526578662205e+02
+FORCES -4.4557000000e-03 -9.0990000000e-04  3.4915000000e-03 -3.5921000000e-03 -2.2662000000e-03  3.5740000000e-03  4.5611000000e-03 -1.9140000000e-03 -1.0662000000e-03 -6.2920000000e-04  7.8643000000e-03 -1.1663800000e-02  3.8913000000e-03 -5.3329000000e-03  4.6321000000e-03  2.2470000000e-04  2.5586000000e-03  1.0323000000e-03
+
+JOB 7
+COORDS -1.0311200000e+00  6.6709600000e-01  6.1306200000e-01 -3.5703300000e-01  1.3399850000e+00  5.1788700000e-01 -8.9745100000e-01  3.1634600000e-01  1.4935950000e+00  1.0052280000e+00 -6.9265000000e-01 -7.2161000000e-01  1.6100900000e-01 -3.1422800000e-01 -4.7600400000e-01  1.4110000000e+00 -9.3473400000e-01  1.1084200000e-01
+ENERGY -1.526576598877e+02
+FORCES  4.7831000000e-03  8.1050000000e-04  3.4906000000e-03 -2.4380000000e-03 -6.9775000000e-03 -9.5390000000e-04  9.0830000000e-04  1.2325000000e-03 -5.2437000000e-03 -1.0955100000e-02  3.2194000000e-03  8.1958000000e-03  8.9550000000e-03  3.8900000000e-05 -3.6704000000e-03 -1.2534000000e-03  1.6763000000e-03 -1.8184000000e-03
+
+JOB 8
+COORDS  1.2575660000e+00  2.5572800000e-01  3.1210800000e-01  2.0344020000e+00 -1.6417400000e-01  6.8148700000e-01  1.5971140000e+00  8.1967800000e-01 -3.8280100000e-01 -1.3864790000e+00 -2.4644400000e-01 -2.5245600000e-01 -4.6116500000e-01 -1.8625100000e-01 -1.4962000000e-02 -1.3849130000e+00 -6.3454100000e-01 -1.1274470000e+00
+ENERGY -1.526605016987e+02
+FORCES -8.8030000000e-04 -4.2660000000e-04 -1.1009000000e-03 -2.7101000000e-03  3.1360000000e-03 -2.8289000000e-03 -1.0776000000e-03 -3.9870000000e-03  3.3150000000e-03  1.2576900000e-02  8.8500000000e-05  1.7131000000e-03 -8.8559000000e-03 -4.5620000000e-04 -3.3788000000e-03  9.4700000000e-04  1.6453000000e-03  2.2803000000e-03
+
+JOB 9
+COORDS  5.3841000000e-01 -1.1103970000e+00 -5.1885600000e-01  5.0573500000e-01 -1.7808270000e+00  1.6355800000e-01  2.4769900000e-01 -1.5607810000e+00 -1.3118720000e+00 -4.8944400000e-01  1.2312280000e+00  5.3802300000e-01 -1.3505060000e+00  9.3340200000e-01  8.3145700000e-01 -1.4879500000e-01  5.0419200000e-01  1.6862000000e-02
+ENERGY -1.526604244930e+02
+FORCES -1.6881000000e-03 -9.1760000000e-04  2.2391000000e-03 -7.4300000000e-04  2.7042000000e-03 -4.4351000000e-03  8.6680000000e-04  1.7895000000e-03  4.8180000000e-03  2.8121000000e-03 -1.2098800000e-02 -5.4296000000e-03  2.5536000000e-03  1.6410000000e-04 -6.5970000000e-04 -3.8014000000e-03  8.3586000000e-03  3.4674000000e-03
+
+JOB 10
+COORDS  2.7218200000e-01  1.5076400000e-01 -1.3779950000e+00  1.1398780000e+00  4.5677700000e-01 -1.6419860000e+00  3.8547800000e-01 -1.4071600000e-01 -4.7332000000e-01 -2.6440300000e-01 -1.6404600000e-01  1.3138960000e+00 -8.4714500000e-01 -8.0683500000e-01  1.7182060000e+00 -6.8093700000e-01  6.8011600000e-01  1.4874520000e+00
+ENERGY -1.526609576338e+02
+FORCES  6.6600000000e-05 -2.3845000000e-03  1.0356000000e-02 -2.7735000000e-03 -7.8880000000e-04  2.5741000000e-03  3.1926000000e-03  1.9763000000e-03 -9.6057000000e-03 -4.4320000000e-03  1.9780000000e-03 -2.5392000000e-03  2.0928000000e-03  3.7888000000e-03 -1.3365000000e-03  1.8535000000e-03 -4.5698000000e-03  5.5130000000e-04
+
+JOB 11
+COORDS -2.5836400000e-01 -8.6879400000e-01 -1.0400550000e+00 -3.8411100000e-01 -3.3625200000e-01 -1.8254320000e+00  6.5962100000e-01 -1.1374780000e+00 -1.0767300000e+00  2.5604300000e-01  8.5646600000e-01  1.1421020000e+00  1.2215700000e-01  1.5544800000e-01  5.0422900000e-01 -3.8246300000e-01  1.5269950000e+00  8.9934100000e-01
+ENERGY -1.526593344233e+02
+FORCES  2.6411000000e-03  2.7467000000e-03 -3.6360000000e-03  8.2270000000e-04 -2.6082000000e-03  4.1975000000e-03 -5.3901000000e-03  3.6902000000e-03  2.7363000000e-03 -6.7256000000e-03 -6.2878000000e-03 -1.0451700000e-02  6.5416000000e-03  3.6920000000e-03  6.6388000000e-03  2.1104000000e-03 -1.2328000000e-03  5.1520000000e-04
+
+JOB 12
+COORDS  1.6806000000e-01  1.2636550000e+00 -7.3347200000e-01 -2.1013200000e-01  8.8470300000e-01  6.0000000000e-02  6.5724000000e-01  5.4455300000e-01 -1.1332570000e+00 -1.8404000000e-01 -1.1744000000e+00  6.4966300000e-01  4.5990000000e-01 -1.8434850000e+00  8.8182400000e-01 -6.1651700000e-01 -9.6044900000e-01  1.4763560000e+00
+ENERGY -1.526560666507e+02
+FORCES -7.7000000000e-06 -1.3762300000e-02  4.4981000000e-03 -2.2615000000e-03  5.5613000000e-03  1.6188000000e-03  9.0440000000e-04  3.7797000000e-03 -1.8478000000e-03  1.7921000000e-03 -2.6930000000e-04  2.3017000000e-03 -3.1608000000e-03  3.1758000000e-03 -1.4597000000e-03  2.7335000000e-03  1.5147000000e-03 -5.1110000000e-03
+
+JOB 13
+COORDS -2.3098100000e-01 -2.7864000000e-01 -1.3117000000e+00 -1.0157490000e+00  1.8103200000e-01 -1.6101510000e+00  4.5785100000e-01  8.4130000000e-03 -1.9111530000e+00  2.9571100000e-01  2.2240800000e-01  1.3930180000e+00  6.1458000000e-02 -6.0387000000e-02  5.0905800000e-01 -4.7786600000e-01  6.8968200000e-01  1.7084010000e+00
+ENERGY -1.526605845175e+02
+FORCES  1.6901000000e-03  4.0570000000e-03 -7.4050000000e-04  4.2110000000e-03 -1.7265000000e-03  2.0592000000e-03 -4.4700000000e-03 -1.1918000000e-03  2.1471000000e-03 -4.2987000000e-03 -1.8522000000e-03 -1.1820900000e-02  1.0952000000e-03  1.9889000000e-03  1.0323400000e-02  1.7725000000e-03 -1.2754000000e-03 -1.9682000000e-03
+
+JOB 14
+COORDS  8.3187000000e-02 -7.1579000000e-02  1.3584460000e+00  3.1025600000e-01 -1.0005080000e+00  1.4004250000e+00  4.4061800000e-01  2.9953700000e-01  2.1651360000e+00 -1.3803800000e-01  1.6506500000e-01 -1.4289010000e+00  3.9150000000e-03 -1.0169400000e-01 -5.2065000000e-01  7.2205000000e-02 -6.1414900000e-01 -1.9435420000e+00
+ENERGY -1.526574218136e+02
+FORCES  2.2899000000e-03  2.0069000000e-03  2.0080000000e-03 -8.4180000000e-04  5.5058000000e-03 -3.8854000000e-03 -1.9789000000e-03 -3.4508000000e-03 -2.6186000000e-03  1.1822000000e-03 -5.0170000000e-04  8.8943000000e-03 -2.8510000000e-04 -5.3756000000e-03 -8.1459000000e-03 -3.6630000000e-04  1.8155000000e-03  3.7477000000e-03
+
+JOB 15
+COORDS -3.7675000000e-01 -2.2550200000e-01 -1.3997860000e+00 -4.8422000000e-02 -5.2218000000e-02 -5.1751300000e-01 -1.3294750000e+00 -2.0511000000e-01 -1.3096130000e+00  3.9008100000e-01  2.2044100000e-01  1.2870610000e+00  6.6242100000e-01 -5.8142000000e-01  1.7332470000e+00  5.8240700000e-01  9.1979900000e-01  1.9116740000e+00
+ENERGY -1.526613937395e+02
+FORCES  2.0540000000e-04  3.0596000000e-03  1.0907800000e-02 -1.8685000000e-03 -3.6374000000e-03 -8.1975000000e-03  2.5690000000e-03 -1.6880000000e-04 -3.5650000000e-04  1.1345000000e-03  6.9180000000e-04  7.0470000000e-04 -1.3447000000e-03  4.5832000000e-03 -1.7421000000e-03 -6.9570000000e-04 -4.5284000000e-03 -1.3165000000e-03
+
+JOB 16
+COORDS -1.0292230000e+00 -1.0388460000e+00  2.1100300000e-01 -6.7087000000e-01 -1.5142000000e-01  2.2799600000e-01 -1.5986160000e+00 -1.0530450000e+00 -5.5829700000e-01  1.0135800000e+00  9.8858100000e-01 -2.2928600000e-01  9.9918800000e-01  1.7094140000e+00  4.0033700000e-01  1.5042890000e+00  2.9483100000e-01  2.1133400000e-01
+ENERGY -1.526598334734e+02
+FORCES  3.2845000000e-03  7.9670000000e-03 -5.3547000000e-03 -4.6031000000e-03 -6.4658000000e-03  4.4406000000e-03  1.6167000000e-03  7.2100000000e-05  2.6490000000e-03  5.5629000000e-03 -1.3364000000e-03  2.2649000000e-03 -1.8369000000e-03 -4.8389000000e-03 -2.5814000000e-03 -4.0241000000e-03  4.6019000000e-03 -1.4184000000e-03
+
+JOB 17
+COORDS -4.5940700000e-01  8.1846000000e-01  1.0307390000e+00 -6.8233500000e-01  1.7404950000e+00  1.1587460000e+00 -6.8190300000e-01  4.0006400000e-01  1.8624070000e+00  4.6932500000e-01 -8.9602000000e-01 -1.1265080000e+00  1.3207540000e+00 -6.1116700000e-01 -7.9460600000e-01 -1.6130800000e-01 -3.1823600000e-01 -6.9674200000e-01
+ENERGY -1.526604721470e+02
+FORCES -1.2499000000e-03  5.2070000000e-04  3.5258000000e-03  1.1686000000e-03 -4.5672000000e-03 -4.6500000000e-05  9.7930000000e-04  3.0505000000e-03 -3.5688000000e-03 -7.6960000000e-04  7.6696000000e-03  8.3746000000e-03 -1.1390000000e-03 -2.0290000000e-03 -2.1293000000e-03  1.0107000000e-03 -4.6447000000e-03 -6.1558000000e-03
+
+JOB 18
+COORDS  9.1853000000e-02 -2.1318400000e-01  1.4090690000e+00  1.0454860000e+00 -2.6494700000e-01  1.3447630000e+00 -6.8313000000e-02  2.5840400000e-01  2.2264940000e+00 -1.7589500000e-01  2.4329200000e-01 -1.4698450000e+00  1.6368200000e-01 -4.7956800000e-01 -1.9974740000e+00  1.5843800000e-01  7.5081000000e-02 -5.8884600000e-01
+ENERGY -1.526573169266e+02
+FORCES  1.3430000000e-04  3.0909000000e-03  4.8699000000e-03 -5.9616000000e-03  9.9250000000e-04 -3.8732000000e-03  1.7096000000e-03 -3.1185000000e-03 -3.0103000000e-03 -3.2630000000e-04 -3.3937000000e-03  7.1404000000e-03 -5.0440000000e-04  2.3676000000e-03  2.8713000000e-03  4.9483000000e-03  6.1200000000e-05 -7.9981000000e-03
+
+JOB 19
+COORDS  1.8721200000e-01 -8.7233600000e-01 -1.1225740000e+00 -3.5515900000e-01 -1.3591990000e+00 -1.7430820000e+00  4.3356300000e-01 -7.5766000000e-02 -1.5927010000e+00 -1.5459400000e-01  9.2721200000e-01  1.2093110000e+00 -1.8708100000e-01  6.0255500000e-01  3.0943700000e-01 -3.4773100000e-01  1.6013100000e-01  1.7483070000e+00
+ENERGY -1.526577337853e+02
+FORCES -4.3860000000e-04 -7.1360000000e-04 -5.1465000000e-03  3.0956000000e-03  2.3737000000e-03  2.8418000000e-03 -3.7108000000e-03 -2.4963000000e-03  5.8327000000e-03 -4.5410000000e-04 -1.0257200000e-02 -4.4758000000e-03  1.4195000000e-03  7.6980000000e-03  8.2700000000e-04  8.8400000000e-05  3.3954000000e-03  1.2090000000e-04
+
+JOB 20
+COORDS -7.2140400000e-01 -1.1841410000e+00  3.4411400000e-01 -3.1814500000e-01 -1.7633410000e+00 -3.0252500000e-01 -1.5022920000e+00 -1.6554290000e+00  6.3451600000e-01  7.8802200000e-01  1.2102470000e+00 -3.5599800000e-01  4.6475200000e-01  2.1096390000e+00 -4.0912300000e-01  2.0361100000e-01  7.8171600000e-01  2.6934700000e-01
+ENERGY -1.526599534879e+02
+FORCES  5.8500000000e-05 -3.8553000000e-03 -3.3641000000e-03 -3.0267000000e-03  1.0809000000e-03  3.7379000000e-03  3.3128000000e-03  1.7518000000e-03 -1.8515000000e-03 -5.7809000000e-03 -2.5964000000e-03  3.0859000000e-03  4.3330000000e-04 -3.3844000000e-03  5.4040000000e-04  5.0030000000e-03  7.0034000000e-03 -2.1485000000e-03
+
+JOB 21
+COORDS -3.5577200000e-01 -3.6145300000e-01 -1.3995270000e+00 -1.2093130000e+00 -4.2319000000e-01 -1.8283480000e+00 -5.5578800000e-01 -3.7631100000e-01 -4.6357600000e-01  4.4725900000e-01  3.4811100000e-01  1.3080740000e+00  3.1464100000e-01 -1.5355400000e-01  2.1124230000e+00  3.7008000000e-02  1.1950490000e+00  1.4830690000e+00
+ENERGY -1.526582238041e+02
+FORCES -2.3420000000e-04  4.0750000000e-04  6.6567000000e-03  2.9569000000e-03  7.8380000000e-04  2.9558000000e-03 -4.4530000000e-03 -1.9208000000e-03 -8.3885000000e-03  1.1181000000e-03  3.5734000000e-03  4.3526000000e-03 -3.3290000000e-04  2.2022000000e-03 -4.7305000000e-03  9.4500000000e-04 -5.0461000000e-03 -8.4610000000e-04
+
+JOB 22
+COORDS -1.3981750000e+00 -5.7397900000e-01  1.8041800000e-01 -1.8481650000e+00  1.9955900000e-01  5.2009400000e-01 -5.7757500000e-01 -2.3606700000e-01 -1.7827900000e-01  1.4181240000e+00  5.0199600000e-01 -2.3855400000e-01  1.0040040000e+00 -6.5209000000e-02  4.1184100000e-01  1.2318440000e+00  1.3906080000e+00  6.4595000000e-02
+ENERGY -1.526543366195e+02
+FORCES  2.0105000000e-03  6.0310000000e-03 -3.9538000000e-03  2.7269000000e-03 -2.9221000000e-03 -9.5460000000e-04  2.8390000000e-04 -3.6945000000e-03  9.5907000000e-03  9.8740000000e-04  2.1344000000e-03  6.2969000000e-03 -5.4978000000e-03  3.3151000000e-03 -8.9734000000e-03 -5.1080000000e-04 -4.8639000000e-03 -2.0059000000e-03
+
+JOB 23
+COORDS -2.8697300000e-01  4.5460400000e-01 -1.4449480000e+00 -2.0518200000e-01 -2.3264900000e-01 -7.8371700000e-01  2.5953600000e-01  1.1689710000e+00 -1.1174750000e+00  2.2527400000e-01 -4.0393600000e-01  1.3847160000e+00 -1.2355500000e-01 -1.2728730000e+00  1.5834590000e+00  1.1749690000e+00 -5.2313700000e-01  1.3745920000e+00
+ENERGY -1.526579791681e+02
+FORCES  2.2719000000e-03 -3.7500000000e-05  1.1192200000e-02 -5.5650000000e-04 -8.7180000000e-04 -7.6661000000e-03 -6.9890000000e-04 -1.4460000000e-03 -2.8544000000e-03  2.2441000000e-03 -2.9278000000e-03  3.7616000000e-03  1.9077000000e-03  4.3498000000e-03 -2.8479000000e-03 -5.1683000000e-03  9.3330000000e-04 -1.5854000000e-03
+
+JOB 24
+COORDS  1.1657000000e-02  1.2737750000e+00  6.1995000000e-01  2.0835400000e-01  1.7140330000e+00  1.4468210000e+00 -2.5575300000e-01  1.9788260000e+00  3.0352000000e-02  2.3654000000e-02 -1.4134350000e+00 -6.2691500000e-01  2.8098200000e-01 -5.7048000000e-01 -2.5349800000e-01 -7.4307000000e-01 -1.2139270000e+00 -1.1640960000e+00
+ENERGY -1.526601945543e+02
+FORCES -2.6960000000e-04  3.5386000000e-03  2.1506000000e-03 -1.3825000000e-03 -7.2090000000e-04 -4.2631000000e-03  1.0325000000e-03 -3.5320000000e-03  2.8582000000e-03 -2.3442000000e-03  8.8555000000e-03  3.2491000000e-03  6.1340000000e-04 -7.4342000000e-03 -4.8906000000e-03  2.3503000000e-03 -7.0710000000e-04  8.9570000000e-04
+
+JOB 25
+COORDS -1.1486400000e-01  3.2371000000e-02  1.5344250000e+00 -1.6504300000e-01  6.8516000000e-02  5.7922500000e-01  6.0576100000e-01 -5.7145800000e-01  1.7142100000e+00  5.7943000000e-02 -4.7510000000e-03 -1.4295470000e+00  6.1066800000e-01  6.6118400000e-01 -1.8385170000e+00 -1.9207900000e-01 -5.8418000000e-01 -2.1492570000e+00
+ENERGY -1.526615083734e+02
+FORCES  2.2816000000e-03 -2.6038000000e-03 -8.7778000000e-03 -1.7160000000e-04  1.3934000000e-03  9.2461000000e-03 -2.0146000000e-03  1.8119000000e-03 -2.3800000000e-05  3.6080000000e-04 -1.4570000000e-04 -3.9824000000e-03 -2.6092000000e-03 -3.7584000000e-03  1.3027000000e-03  2.1531000000e-03  3.3026000000e-03  2.2351000000e-03
+
+JOB 26
+COORDS -7.1409500000e-01  1.2256500000e+00  5.7909500000e-01 -6.1865000000e-02  1.8109360000e+00  9.6415100000e-01 -2.0117900000e-01  5.1601900000e-01  1.9234900000e-01  6.1932300000e-01 -1.1641340000e+00 -6.0582600000e-01  1.0711660000e+00 -1.2510830000e+00  2.3352500000e-01  6.9316000000e-01 -2.0291980000e+00 -1.0088690000e+00
+ENERGY -1.526583621019e+02
+FORCES  3.9771000000e-03 -3.3243000000e-03 -4.1492000000e-03 -1.6335000000e-03 -3.1759000000e-03 -1.1513000000e-03 -2.2200000000e-04  5.6636000000e-03  7.3295000000e-03  2.8040000000e-04 -5.6828000000e-03 -6.0650000000e-04 -3.4501000000e-03  3.2664000000e-03 -4.0854000000e-03  1.0481000000e-03  3.2530000000e-03  2.6629000000e-03
+
+JOB 27
+COORDS -1.1019910000e+00  9.3421500000e-01 -1.0735300000e-01 -1.7373480000e+00  1.3680210000e+00  4.6217900000e-01 -1.1525370000e+00  1.4151580000e+00 -9.3341000000e-01  1.1960410000e+00 -9.9562300000e-01  8.7575000000e-02  7.6723400000e-01 -1.4137800000e-01  1.3876900000e-01  6.2167400000e-01 -1.5823380000e+00  5.7961100000e-01
+ENERGY -1.526600438896e+02
+FORCES -3.4473000000e-03  3.1655000000e-03 -1.6242000000e-03  2.5088000000e-03 -2.0598000000e-03 -3.1326000000e-03  1.8650000000e-04 -1.7117000000e-03  4.4840000000e-03 -9.0532000000e-03  3.9755000000e-03  1.6792000000e-03  7.0538000000e-03 -4.0167000000e-03 -4.3330000000e-04  2.7513000000e-03  6.4720000000e-04 -9.7320000000e-04
+
+JOB 28
+COORDS -5.9728300000e-01 -8.9917300000e-01 -1.0999030000e+00 -1.8880400000e-01 -1.1068300000e-01 -7.4260800000e-01  8.1139000000e-02 -1.2936110000e+00 -1.6479850000e+00  5.0102500000e-01  8.3961400000e-01  1.0664280000e+00  1.0397110000e+00  5.7629800000e-01  1.8125610000e+00  4.8115800000e-01  1.7956030000e+00  1.1102720000e+00
+ENERGY -1.526591648522e+02
+FORCES  5.4251000000e-03  4.0262000000e-03  3.9830000000e-03 -3.4554000000e-03 -3.4412000000e-03 -7.6034000000e-03 -2.0212000000e-03  1.3056000000e-03  2.1421000000e-03  1.8939000000e-03  2.2670000000e-04  5.1225000000e-03 -2.0540000000e-03  2.6150000000e-03 -2.8337000000e-03  2.1170000000e-04 -4.7323000000e-03 -8.1050000000e-04
+
+JOB 29
+COORDS -1.1156580000e+00 -9.3158600000e-01  2.3641900000e-01 -1.0900810000e+00 -1.5115650000e+00  9.9747200000e-01 -1.5591520000e+00 -1.4430570000e+00 -4.4029500000e-01  1.1673760000e+00  1.0292640000e+00 -2.8465000000e-01  3.5278600000e-01  5.3841600000e-01 -3.9302000000e-01  1.4752000000e+00  7.9321000000e-01  5.9042400000e-01
+ENERGY -1.526600109170e+02
+FORCES -1.4910000000e-03 -4.9051000000e-03  1.3342000000e-03 -4.7350000000e-04  2.1988000000e-03 -3.6335000000e-03  2.2182000000e-03  2.3051000000e-03  3.3524000000e-03 -6.0889000000e-03 -6.3759000000e-03  4.3578000000e-03  5.6227000000e-03  5.5273000000e-03 -3.1150000000e-03  2.1230000000e-04  1.2499000000e-03 -2.2959000000e-03
+
+JOB 30
+COORDS -3.0497600000e-01 -5.4688000000e-02 -1.5502050000e+00 -7.7658400000e-01  7.1429800000e-01 -1.2300850000e+00 -4.3008300000e-01 -7.1420100000e-01 -8.6783900000e-01  2.7310000000e-01  3.6161000000e-02  1.4710760000e+00  9.3244300000e-01  7.2407800000e-01  1.3801480000e+00  5.9272800000e-01 -5.0910100000e-01  2.1899350000e+00
+ENERGY -1.526579218500e+02
+FORCES -1.9101000000e-03  7.1900000000e-05  9.0808000000e-03  1.8660000000e-03 -1.4221000000e-03 -2.6939000000e-03 -6.8820000000e-04  1.3360000000e-04 -6.1199000000e-03  5.2507000000e-03  1.7354000000e-03  1.7388000000e-03 -3.3317000000e-03 -2.5926000000e-03  1.6257000000e-03 -1.1868000000e-03  2.0737000000e-03 -3.6316000000e-03
+
+JOB 31
+COORDS  3.2613100000e-01  1.2690450000e+00 -9.0051800000e-01 -1.8189200000e-01  4.7209900000e-01 -7.4879100000e-01  3.9982800000e-01  1.6747700000e+00 -3.6696000000e-02 -3.0219600000e-01 -1.2024400000e+00  7.9101700000e-01  1.3663800000e-01 -2.0524540000e+00  8.2469300000e-01 -7.3738500000e-01 -1.1232330000e+00  1.6398790000e+00
+ENERGY -1.526591013999e+02
+FORCES -1.7230000000e-03 -6.1960000000e-03  7.1958000000e-03  7.6550000000e-04  5.9941000000e-03 -4.5885000000e-03 -1.8910000000e-04  4.7160000000e-04 -2.8952000000e-03  1.2118000000e-03 -3.7162000000e-03  3.2888000000e-03 -2.4712000000e-03  3.5587000000e-03  6.9810000000e-04  2.4062000000e-03 -1.1220000000e-04 -3.6990000000e-03
+
+JOB 32
+COORDS  8.7562000000e-02  1.3167310000e+00 -6.9046600000e-01 -4.0502900000e-01  1.1533620000e+00 -1.4947650000e+00  1.3039800000e-01  2.2707200000e+00 -6.2486500000e-01 -1.7896000000e-02 -1.3982250000e+00  7.6517900000e-01 -9.5896500000e-01 -1.5504090000e+00  6.7880200000e-01  1.4510500000e-01 -6.0609500000e-01  2.5313200000e-01
+ENERGY -1.526598721082e+02
+FORCES -7.4010000000e-04  5.5172000000e-03 -1.7347000000e-03  1.9381000000e-03  2.6500000000e-05  4.5811000000e-03 -8.7430000000e-04 -3.8998000000e-03 -1.7979000000e-03 -2.1300000000e-03  7.0858000000e-03 -2.7211000000e-03  2.9333000000e-03  1.6310000000e-04 -1.6930000000e-04 -1.1271000000e-03 -8.8928000000e-03  1.8419000000e-03
+
+JOB 33
+COORDS -7.2780100000e-01  1.3551420000e+00 -4.8470800000e-01 -8.7587800000e-01  5.8646100000e-01  6.6141000000e-02  6.3219000000e-02  1.1457030000e+00 -9.8135200000e-01  6.5325500000e-01 -1.3161800000e+00  5.3829600000e-01  7.2734500000e-01 -1.8399860000e+00 -2.5943200000e-01  1.1758470000e+00 -5.3402200000e-01  3.6121300000e-01
+ENERGY -1.526559011400e+02
+FORCES  1.5266000000e-03 -6.8601000000e-03  9.9760000000e-04  2.3870000000e-04  6.3165000000e-03 -2.8659000000e-03 -1.0795000000e-03  4.6170000000e-04  2.5903000000e-03  4.5263000000e-03 -8.7320000000e-04 -3.1829000000e-03 -5.2340000000e-04  3.4764000000e-03  3.4513000000e-03 -4.6887000000e-03 -2.5214000000e-03 -9.9050000000e-04
+
+JOB 34
+COORDS -1.4802620000e+00  5.9179900000e-01  1.5220000000e-01 -5.2927000000e-01  6.5945500000e-01  6.6950000000e-02 -1.7467450000e+00  2.7586000000e-02 -5.7366700000e-01  1.4508280000e+00 -5.0450200000e-01 -8.4776000000e-02  1.9406770000e+00 -9.0640200000e-01 -8.0224200000e-01  8.4796500000e-01 -1.1883990000e+00  2.0689300000e-01
+ENERGY -1.526589913176e+02
+FORCES  5.7114000000e-03 -4.6490000000e-04 -4.4701000000e-03 -7.8890000000e-03 -6.0480000000e-04  2.0953000000e-03  8.1110000000e-04  9.8530000000e-04  3.1463000000e-03  1.9742000000e-03 -5.7311000000e-03 -1.2350000000e-03 -2.7147000000e-03  1.1490000000e-03  3.3938000000e-03  2.1070000000e-03  4.6665000000e-03 -2.9304000000e-03
+
+JOB 35
+COORDS  1.1948800000e-01 -1.4670100000e-01 -1.4966180000e+00  8.1152000000e-02 -9.0780700000e-01 -2.0758240000e+00  7.9782100000e-01  4.1090400000e-01 -1.8776330000e+00 -1.4268900000e-01  2.0970800000e-01  1.5916700000e+00 -8.7126000000e-02  2.1579100000e-01  6.3610400000e-01 -3.5824200000e-01 -6.9607500000e-01  1.8137670000e+00
+ENERGY -1.526607300461e+02
+FORCES  2.4056000000e-03 -1.7765000000e-03 -5.0297000000e-03  7.0580000000e-04  3.7321000000e-03  1.8608000000e-03 -3.2504000000e-03 -2.9489000000e-03  1.7720000000e-03 -5.9000000000e-04 -4.2682000000e-03 -7.3876000000e-03  1.2820000000e-04  2.5614000000e-03  8.8487000000e-03  6.0080000000e-04  2.7001000000e-03 -6.4100000000e-05
+
+JOB 36
+COORDS  1.2823320000e+00 -6.3750400000e-01  8.2079800000e-01  1.1169890000e+00  2.9293900000e-01  6.6858000000e-01  6.7221600000e-01 -1.0883120000e+00  2.3705000000e-01 -1.2615080000e+00  5.9341600000e-01 -8.4223800000e-01 -8.5769000000e-01 -3.4348000000e-02 -2.4300900000e-01 -1.2531270000e+00  1.4220490000e+00 -3.6314700000e-01
+ENERGY -1.526510177886e+02
+FORCES -2.3750000000e-04  1.9653000000e-03 -5.0945000000e-03 -1.8292000000e-03 -4.5119000000e-03  1.7811000000e-03 -2.1566000000e-03  4.7326000000e-03  3.6173000000e-03  5.9200000000e-05  1.5295000000e-03  5.5237000000e-03  3.0715000000e-03  1.4470000000e-04 -3.4149000000e-03  1.0926000000e-03 -3.8601000000e-03 -2.4127000000e-03
+
+JOB 37
+COORDS  1.4513400000e-01 -1.2659880000e+00 -9.3770400000e-01  3.8777000000e-02 -2.0334490000e+00 -1.4997750000e+00  1.7538500000e-01 -1.6214000000e+00 -4.9447000000e-02 -1.0982000000e-01  1.3529790000e+00  8.6003600000e-01 -8.3751100000e-01  7.3599700000e-01  9.3768600000e-01  9.4157000000e-02  1.5983020000e+00  1.7625010000e+00
+ENERGY -1.526530582116e+02
+FORCES  1.3970000000e-03 -4.3898000000e-03  1.3139000000e-03  5.8370000000e-04  3.7266000000e-03  2.4790000000e-03 -1.8727000000e-03  1.3083000000e-03 -3.5099000000e-03 -2.9688000000e-03 -1.3049000000e-03  2.0002000000e-03  3.3476000000e-03  2.3538000000e-03  1.7188000000e-03 -4.8690000000e-04 -1.6941000000e-03 -4.0020000000e-03
+
+JOB 38
+COORDS  1.4967600000e-01  4.2816500000e-01 -1.6767500000e+00 -1.2698400000e-01 -4.5264400000e-01 -1.9294680000e+00  1.6786300000e-01  4.0872500000e-01 -7.1992000000e-01 -1.6239300000e-01 -3.2957700000e-01  1.5990160000e+00 -3.8419300000e-01 -1.2544580000e+00  1.7068690000e+00  5.9007500000e-01 -1.9448800000e-01  2.1750150000e+00
+ENERGY -1.526593599246e+02
+FORCES -1.7982000000e-03 -3.7746000000e-03  5.9260000000e-03  1.0039000000e-03  2.7541000000e-03  2.7570000000e-04  1.4392000000e-03  1.6828000000e-03 -8.2274000000e-03  1.5427000000e-03 -3.9461000000e-03  5.6638000000e-03  1.2997000000e-03  4.1498000000e-03 -7.5750000000e-04 -3.4872000000e-03 -8.6600000000e-04 -2.8806000000e-03
+
+JOB 39
+COORDS -6.4945100000e-01  1.2671750000e+00 -1.0286920000e+00 -2.2894200000e-01  1.4583850000e+00 -1.9033400000e-01 -3.4852000000e-02  6.8759200000e-01 -1.4787840000e+00  5.5241400000e-01 -1.2487170000e+00  1.0624100000e+00  8.7224900000e-01 -2.0240550000e+00  6.0112100000e-01  9.5977900000e-01 -5.1269400000e-01  6.0573100000e-01
+ENERGY -1.526515621923e+02
+FORCES  2.3792000000e-03 -2.1907000000e-03  2.1825000000e-03  1.2890000000e-04 -1.5636000000e-03 -4.0676000000e-03 -1.4041000000e-03  2.4523000000e-03  2.7088000000e-03  2.3695000000e-03 -1.1664000000e-03 -3.8169000000e-03 -1.3511000000e-03  3.6344000000e-03  1.8283000000e-03 -2.1223000000e-03 -1.1661000000e-03  1.1650000000e-03
+
+JOB 40
+COORDS -9.9269300000e-01 -7.0607200000e-01  1.2517770000e+00 -5.3335300000e-01 -2.4814600000e-01  1.9557240000e+00 -1.4967270000e+00 -2.2781000000e-02  8.0985500000e-01  1.0517880000e+00  6.0957200000e-01 -1.2932550000e+00  8.4499600000e-01  1.5409830000e+00 -1.2161670000e+00  3.0008000000e-01  1.6373600000e-01 -9.0287300000e-01
+ENERGY -1.526553857093e+02
+FORCES -9.1320000000e-04  3.7818000000e-03  4.6058000000e-03 -2.6444000000e-03 -1.8635000000e-03 -3.4199000000e-03  4.4279000000e-03 -2.9308000000e-03 -2.1840000000e-04 -3.6922000000e-03  1.5000000000e-06  2.6019000000e-03  3.2710000000e-04 -3.7996000000e-03  2.8190000000e-04  2.4948000000e-03  4.8106000000e-03 -3.8513000000e-03
+
+JOB 41
+COORDS -1.3515410000e+00 -1.0577920000e+00 -9.3643000000e-02 -1.9679270000e+00 -6.2227800000e-01 -6.8239400000e-01 -9.1999100000e-01 -1.7140620000e+00 -6.4073200000e-01  1.3482010000e+00  1.1308150000e+00  1.3217200000e-01  2.1935140000e+00  8.4317200000e-01  4.7704800000e-01  7.5554700000e-01  4.0037100000e-01  3.0949900000e-01
+ENERGY -1.526587462211e+02
+FORCES -3.9915000000e-03 -1.6694000000e-03 -5.7575000000e-03  2.6534000000e-03 -2.5692000000e-03  2.5691000000e-03 -1.0359000000e-03  3.4828000000e-03  2.9374000000e-03 -1.2467000000e-03 -4.5167000000e-03  2.6338000000e-03 -3.2171000000e-03  6.6720000000e-04 -1.4816000000e-03  6.8378000000e-03  4.6053000000e-03 -9.0130000000e-04
+
+JOB 42
+COORDS  3.0374800000e-01  3.8991600000e-01 -1.7445700000e+00 -5.4056400000e-01  1.2681000000e-02 -1.4974620000e+00  9.5012100000e-01 -2.4325900000e-01 -1.4322830000e+00 -2.9916700000e-01 -3.8761000000e-01  1.7278030000e+00  2.1478100000e-01  2.9297400000e-01  2.1624220000e+00 -6.8063200000e-01  4.9224000000e-02  9.6629600000e-01
+ENERGY -1.526553449203e+02
+FORCES  3.7630000000e-04 -5.7843000000e-03  6.0000000000e-04  3.1884000000e-03  3.0153000000e-03  1.2406000000e-03 -2.8968000000e-03  3.5183000000e-03 -1.8317000000e-03  9.4730000000e-04  6.2898000000e-03 -7.3540000000e-04 -2.0917000000e-03 -3.2725000000e-03 -1.3484000000e-03  4.7640000000e-04 -3.7665000000e-03  2.0750000000e-03
+
+JOB 43
+COORDS  4.4916800000e-01  1.6779480000e+00  6.1815300000e-01 -3.6353700000e-01  1.5242990000e+00  1.3634800000e-01  9.4438800000e-01  8.6484400000e-01  5.1890100000e-01 -3.6503400000e-01 -1.5837340000e+00 -5.6713500000e-01 -8.6527900000e-01 -2.1571480000e+00  1.3540000000e-02 -8.8720600000e-01 -1.5386840000e+00 -1.3680960000e+00
+ENERGY -1.526576087341e+02
+FORCES -1.6171000000e-03 -6.6273000000e-03 -3.0867000000e-03  2.1961000000e-03  2.6521000000e-03  1.6994000000e-03 -2.0930000000e-04  5.2047000000e-03  1.5776000000e-03 -4.4462000000e-03 -4.1553000000e-03 -1.1853000000e-03  2.0541000000e-03  2.5642000000e-03 -2.8156000000e-03  2.0225000000e-03  3.6160000000e-04  3.8107000000e-03
+
+JOB 44
+COORDS -7.0346000000e-02 -3.3745000000e-02 -1.7746520000e+00  5.4330500000e-01 -5.8088600000e-01 -2.2648570000e+00 -9.2874900000e-01 -4.1898400000e-01 -1.9506260000e+00  1.4362100000e-01  1.1020300000e-01  1.8538120000e+00  6.0464000000e-02 -7.1131500000e-01  1.3696390000e+00 -6.7393800000e-01  5.7604700000e-01  1.6782610000e+00
+ENERGY -1.526545178751e+02
+FORCES  1.4200000000e-05 -2.9813000000e-03 -4.3023000000e-03 -2.9190000000e-03  2.0911000000e-03  2.2962000000e-03  3.6144000000e-03  1.5316000000e-03  1.9754000000e-03 -3.1792000000e-03 -6.4550000000e-04 -5.7618000000e-03  2.2000000000e-05  1.9025000000e-03  3.8041000000e-03  2.4476000000e-03 -1.8985000000e-03  1.9884000000e-03
+
+JOB 45
+COORDS -2.4942200000e-01 -1.4072810000e+00 -1.1930730000e+00  4.1605000000e-01 -1.1058640000e+00 -1.8115590000e+00  2.8695000000e-02 -1.0515770000e+00 -3.4906000000e-01  2.0382400000e-01  1.4446640000e+00  1.1643680000e+00  8.9938400000e-01  7.9422100000e-01  1.0676690000e+00 -5.4492600000e-01  9.4806500000e-01  1.4945120000e+00
+ENERGY -1.526528176064e+02
+FORCES  3.5544000000e-03  4.0462000000e-03 -1.5130000000e-04 -2.5344000000e-03 -1.8470000000e-03  2.7954000000e-03 -4.1240000000e-04 -2.0371000000e-03 -1.7077000000e-03 -7.4000000000e-04 -2.9245000000e-03  2.3736000000e-03 -4.1042000000e-03  1.2862000000e-03 -1.2861000000e-03  4.2367000000e-03  1.4762000000e-03 -2.0239000000e-03
+
+JOB 46
+COORDS -1.6191310000e+00  6.6285100000e-01  5.1302200000e-01 -9.8537600000e-01  1.3460460000e+00  7.3172600000e-01 -2.0356320000e+00  9.7066800000e-01 -2.9196700000e-01  1.6585770000e+00 -7.3884000000e-01 -4.5081200000e-01  8.6716200000e-01 -3.9094200000e-01 -3.9885000000e-02  1.4744830000e+00 -7.0897600000e-01 -1.3896670000e+00
+ENERGY -1.526566338508e+02
+FORCES -2.5994000000e-03  5.7734000000e-03 -1.3991000000e-03 -1.5837000000e-03 -4.8038000000e-03 -1.9431000000e-03  2.4129000000e-03 -1.5369000000e-03  3.4922000000e-03 -5.7778000000e-03  4.1420000000e-04 -1.7014000000e-03  6.4586000000e-03 -4.9800000000e-05 -1.8105000000e-03  1.0893000000e-03  2.0280000000e-04  3.3618000000e-03
+
+JOB 47
+COORDS  1.7694750000e+00  7.3745000000e-02  2.1692100000e-01  1.5397790000e+00  5.5446000000e-01  1.0121470000e+00  2.6917580000e+00 -1.5481800000e-01  3.3261500000e-01 -1.7934760000e+00 -1.6131000000e-01 -2.5975300000e-01 -2.5340870000e+00  3.7047000000e-01  3.1688000000e-02 -1.2137530000e+00  4.5749200000e-01 -7.0386800000e-01
+ENERGY -1.526549887315e+02
+FORCES  3.0294000000e-03 -2.4120000000e-04  4.4550000000e-03  1.3029000000e-03 -1.0815000000e-03 -3.8063000000e-03 -3.8054000000e-03  1.0103000000e-03 -2.7990000000e-04  5.7720000000e-04  4.1005000000e-03 -1.7456000000e-03  3.2889000000e-03 -2.1056000000e-03 -7.7850000000e-04 -4.3931000000e-03 -1.6824000000e-03  2.1553000000e-03
+
+JOB 48
+COORDS -1.4154550000e+00  5.0040500000e-01 -1.0786850000e+00 -2.3666480000e+00  4.4984000000e-01 -9.8430700000e-01 -1.0733330000e+00  6.7311000000e-02 -2.9662700000e-01  1.4045290000e+00 -5.2607500000e-01  1.0408670000e+00  1.7458270000e+00 -1.4405700000e-01  2.3228200000e-01  1.8329910000e+00 -3.1504000000e-02  1.7394750000e+00
+ENERGY -1.526579386312e+02
+FORCES -2.1446000000e-03 -2.5765000000e-03  4.3470000000e-03  3.5731000000e-03  2.4420000000e-04 -2.4520000000e-04 -3.0354000000e-03  2.7961000000e-03 -5.3046000000e-03  5.3472000000e-03  3.5072000000e-03  9.7900000000e-05 -2.1034000000e-03 -1.7959000000e-03  4.1022000000e-03 -1.6369000000e-03 -2.1752000000e-03 -2.9973000000e-03
+
+JOB 49
+COORDS -1.4249310000e+00 -1.1584940000e+00 -2.2730000000e-01 -1.0658650000e+00 -8.5633400000e-01 -1.0615680000e+00 -1.6958420000e+00 -2.0610290000e+00 -3.9543400000e-01  1.4153960000e+00  1.1858030000e+00  2.1202600000e-01  1.5271190000e+00  4.6641600000e-01  8.3350200000e-01  1.3562740000e+00  1.9688190000e+00  7.5940300000e-01
+ENERGY -1.526558520047e+02
+FORCES  4.4160000000e-04 -1.3083000000e-03 -4.8665000000e-03 -2.4674000000e-03 -2.6410000000e-03  3.2093000000e-03  1.3371000000e-03  3.6584000000e-03  8.6070000000e-04 -8.0040000000e-04 -1.8860000000e-04  5.5829000000e-03  9.1900000000e-04  3.4497000000e-03 -2.6102000000e-03  5.7020000000e-04 -2.9703000000e-03 -2.1762000000e-03
+
+JOB 50
+COORDS  3.1989400000e-01 -4.6130200000e-01  1.8022110000e+00  1.1889040000e+00 -6.8889100000e-01  2.1327530000e+00  2.4542800000e-01  4.8117600000e-01  1.9519500000e+00 -3.1294500000e-01  3.7329400000e-01 -1.8144240000e+00 -3.0232300000e-01  1.3110190000e+00 -1.6226120000e+00 -1.1567570000e+00  2.2521300000e-01 -2.2413720000e+00
+ENERGY -1.526524276780e+02
+FORCES  3.4887000000e-03  2.8128000000e-03  6.4150000000e-04 -3.6035000000e-03  9.1190000000e-04 -1.0872000000e-03  1.0680000000e-04 -3.4417000000e-03 -2.9840000000e-04 -3.7087000000e-03  2.4843000000e-03 -1.9750000000e-04  1.7750000000e-04 -3.5034000000e-03 -5.7500000000e-04  3.5392000000e-03  7.3610000000e-04  1.5165000000e-03
+
+JOB 51
+COORDS  9.5975700000e-01 -1.0666090000e+00  1.2826120000e+00  7.6533500000e-01 -2.4431000000e-01  1.7323400000e+00  2.5746100000e-01 -1.6589350000e+00  1.5512430000e+00 -9.3507200000e-01  1.0509380000e+00 -1.2671420000e+00 -1.3669100000e-01  6.2808900000e-01 -1.5834010000e+00 -1.2867130000e+00  1.5036160000e+00 -2.0337340000e+00
+ENERGY -1.526561361889e+02
+FORCES -4.7137000000e-03  1.4066000000e-03  3.1569000000e-03  1.5854000000e-03 -3.7570000000e-03 -1.3326000000e-03  3.2020000000e-03  1.9789000000e-03 -7.8740000000e-04  2.4379000000e-03 -5.5690000000e-04 -4.4102000000e-03 -3.9507000000e-03  2.8372000000e-03  2.7500000000e-04  1.4391000000e-03 -1.9088000000e-03  3.0982000000e-03
+
+JOB 52
+COORDS -1.7875440000e+00  2.9276300000e-01 -7.3750000000e-01 -1.6597970000e+00 -2.1066800000e-01 -1.5415340000e+00 -1.1897150000e+00  1.0355360000e+00 -8.2188600000e-01  1.6784590000e+00 -3.0765200000e-01  7.6123200000e-01  1.9655720000e+00 -8.7230000000e-03  1.6240400000e+00  2.4819470000e+00 -5.9375500000e-01  3.2674000000e-01
+ENERGY -1.526541023836e+02
+FORCES  5.0863000000e-03  2.8260000000e-04 -2.5394000000e-03 -1.0898000000e-03  2.0328000000e-03  2.6333000000e-03 -3.7237000000e-03 -1.9822000000e-03 -4.8140000000e-04  4.3290000000e-03 -5.8190000000e-04  2.7302000000e-03 -1.0054000000e-03 -1.0782000000e-03 -3.8078000000e-03 -3.5963000000e-03  1.3269000000e-03  1.4651000000e-03
+
+JOB 53
+COORDS  1.2231740000e+00 -1.6152800000e+00  4.0712000000e-02  1.6284360000e+00 -1.1258500000e+00 -6.7514700000e-01  4.3690900000e-01 -1.1147710000e+00  2.5868200000e-01 -1.1499820000e+00  1.5053530000e+00 -1.0984000000e-02 -1.1603920000e+00  2.3239400000e+00  4.8503900000e-01 -1.9757480000e+00  1.5075590000e+00 -4.9506800000e-01
+ENERGY -1.526574688169e+02
+FORCES -2.4438000000e-03  5.5913000000e-03 -1.8459000000e-03 -8.1420000000e-04 -2.5391000000e-03  2.4052000000e-03  3.9580000000e-03 -4.4521000000e-03 -6.1520000000e-04 -4.0150000000e-03  4.7255000000e-03  2.9940000000e-04 -2.7850000000e-04 -3.3326000000e-03 -2.3581000000e-03  3.5936000000e-03  7.0000000000e-06  2.1146000000e-03
+
+JOB 54
+COORDS  1.1982140000e+00 -1.4737830000e+00  5.5959400000e-01  1.2708880000e+00 -2.0493770000e+00  1.3209370000e+00  2.9850100000e-01 -1.1484500000e+00  5.8971200000e-01 -1.1643980000e+00  1.4415160000e+00 -5.6896200000e-01 -1.5760750000e+00  1.6828100000e+00 -1.3987400000e+00 -5.0099500000e-01  2.1163550000e+00 -4.2501600000e-01
+ENERGY -1.526566853638e+02
+FORCES -4.3052000000e-03 -3.3790000000e-04  2.5385000000e-03 -2.6040000000e-04  2.2709000000e-03 -2.9284000000e-03  4.9863000000e-03 -3.0832000000e-03  1.0683000000e-03  1.1899000000e-03  4.4698000000e-03 -3.6332000000e-03  1.6135000000e-03 -6.8850000000e-04  3.5025000000e-03 -3.2241000000e-03 -2.6311000000e-03 -5.4770000000e-04
+
+JOB 55
+COORDS  4.0088300000e-01 -1.3168040000e+00  1.4026250000e+00  3.7099000000e-01 -2.2371910000e+00  1.6638250000e+00  9.6559800000e-01 -1.3048690000e+00  6.2984700000e-01 -3.7581100000e-01  1.3861250000e+00 -1.3920590000e+00 -1.2103190000e+00  1.4511350000e+00 -1.8563900000e+00 -5.8626600000e-01  9.1677000000e-01 -5.8481300000e-01
+ENERGY -1.526566299814e+02
+FORCES  3.1469000000e-03 -4.8318000000e-03 -1.2090000000e-03  3.1470000000e-04  3.7644000000e-03 -1.1202000000e-03 -3.4116000000e-03  2.3040000000e-04  3.4657000000e-03 -4.8587000000e-03 -1.3076000000e-03  2.2033000000e-03  3.3167000000e-03 -2.1470000000e-04  1.6888000000e-03  1.4920000000e-03  2.3593000000e-03 -5.0286000000e-03
+
+JOB 56
+COORDS  1.5041180000e+00  1.1033030000e+00 -6.7645000000e-01  1.6367110000e+00  1.8986100000e-01 -4.2292600000e-01  2.2701320000e+00  1.3182660000e+00 -1.2086580000e+00 -1.5769980000e+00 -1.1187580000e+00  7.3072600000e-01 -1.0516060000e+00 -1.1707100000e+00 -6.7707000000e-02 -1.7062730000e+00 -1.8096100000e-01  8.7234700000e-01
+ENERGY -1.526553789937e+02
+FORCES  5.1230000000e-03 -2.0738000000e-03 -1.0307000000e-03 -1.7274000000e-03  3.6394000000e-03 -1.7655000000e-03 -3.1964000000e-03 -1.0430000000e-03  2.3015000000e-03  9.1050000000e-04  4.7099000000e-03 -3.0695000000e-03 -1.1851000000e-03 -7.7140000000e-04  3.6608000000e-03  7.5400000000e-05 -4.4611000000e-03 -9.6500000000e-05
+
+JOB 57
+COORDS -1.7035000000e+00  1.0619130000e+00 -9.5170000000e-02 -2.5567200000e+00  7.4940800000e-01  2.0580800000e-01 -1.6653930000e+00  8.0550300000e-01 -1.0166010000e+00  1.7638860000e+00 -1.0115890000e+00  7.7829000000e-02  1.0809010000e+00 -6.1414400000e-01  6.1801400000e-01  2.0944390000e+00 -1.7386340000e+00  6.0544000000e-01
+ENERGY -1.526563373570e+02
+FORCES -4.0938000000e-03 -1.5724000000e-03 -3.6036000000e-03  3.7096000000e-03  1.1426000000e-03 -1.1067000000e-03 -5.7350000000e-04  1.1147000000e-03  4.2604000000e-03 -1.9366000000e-03 -3.8350000000e-04  4.5692000000e-03  4.2775000000e-03 -3.0722000000e-03 -2.0586000000e-03 -1.3830000000e-03  2.7708000000e-03 -2.0606000000e-03
+
+JOB 58
+COORDS -4.7303300000e-01 -1.9373680000e+00 -5.8437200000e-01 -4.7615400000e-01 -1.4284370000e+00 -1.3950580000e+00 -1.1606900000e+00 -1.5408640000e+00 -4.9448000000e-02  4.7031500000e-01  1.9203880000e+00  5.6174600000e-01  2.4013900000e-01  1.4484320000e+00  1.3620630000e+00  1.4106650000e+00  1.7741070000e+00  4.5890100000e-01
+ENERGY -1.526553151876e+02
+FORCES -3.0214000000e-03  4.6396000000e-03 -1.6851000000e-03  4.5900000000e-05 -2.9016000000e-03  2.9782000000e-03  2.7852000000e-03 -2.0784000000e-03 -1.4772000000e-03  3.7837000000e-03 -2.7712000000e-03  3.1332000000e-03  2.8670000000e-04  2.0422000000e-03 -3.3253000000e-03 -3.8801000000e-03  1.0693000000e-03  3.7610000000e-04
+
+JOB 59
+COORDS -1.3633670000e+00 -1.1485880000e+00  1.0873800000e+00 -1.5158300000e+00 -7.2583300000e-01  2.4223900000e-01 -1.3187850000e+00 -4.2541400000e-01  1.7128910000e+00  1.4134860000e+00  1.1215910000e+00 -1.1115760000e+00  1.1566510000e+00  1.1957430000e+00 -1.9246300000e-01  9.1883800000e-01  3.7041600000e-01 -1.4391290000e+00
+ENERGY -1.526537713427e+02
+FORCES -2.1837000000e-03  4.0938000000e-03 -3.7300000000e-05  2.1018000000e-03 -1.6351000000e-03  3.3187000000e-03  5.1480000000e-04 -2.9190000000e-03 -3.1433000000e-03 -1.8342000000e-03 -3.6130000000e-03  2.6364000000e-03  2.8850000000e-04  3.3230000000e-04 -3.9706000000e-03  1.1129000000e-03  3.7409000000e-03  1.1962000000e-03
+
+JOB 60
+COORDS -2.5631500000e-01  4.3443100000e-01 -2.0360930000e+00 -6.9588000000e-01  1.1509710000e+00 -2.4938980000e+00 -7.5776800000e-01  3.2219000000e-01 -1.2285180000e+00  2.5802200000e-01 -4.7157400000e-01  1.9866370000e+00  5.4176600000e-01 -8.2032200000e-01  2.8316790000e+00  1.0551470000e+00 -1.1564100000e-01  1.5940370000e+00
+ENERGY -1.526560995643e+02
+FORCES -4.4603000000e-03  1.9621000000e-03  1.7189000000e-03  1.8046000000e-03 -2.8195000000e-03  1.7726000000e-03  2.4781000000e-03  1.1706000000e-03 -4.4308000000e-03  4.9403000000e-03 -4.8400000000e-04  2.3160000000e-03 -9.6910000000e-04  1.5305000000e-03 -3.3729000000e-03 -3.7936000000e-03 -1.3597000000e-03  1.9961000000e-03
+
+JOB 61
+COORDS  2.0294040000e+00 -4.3141200000e-01 -6.6039800000e-01  1.3044530000e+00 -1.0564380000e+00 -6.6504900000e-01  2.8143430000e+00 -9.7373600000e-01 -7.3777800000e-01 -1.9741870000e+00  5.3332400000e-01  6.7854500000e-01 -2.1735640000e+00 -3.9461500000e-01  8.0268200000e-01 -2.7825180000e+00  9.0770100000e-01  3.2829400000e-01
+ENERGY -1.526533659334e+02
+FORCES -4.4620000000e-04 -4.3431000000e-03 -8.6600000000e-05  3.4208000000e-03  1.7425000000e-03 -1.9040000000e-04 -3.2288000000e-03  2.2773000000e-03  3.3910000000e-04 -4.4139000000e-03 -1.5496000000e-03 -7.3830000000e-04  1.3370000000e-03  3.5287000000e-03 -8.7410000000e-04  3.3311000000e-03 -1.6558000000e-03  1.5504000000e-03
+
+JOB 62
+COORDS -1.6728550000e+00  1.3992160000e+00  3.9368200000e-01 -2.0425890000e+00  2.2671270000e+00  2.3163700000e-01 -1.0865420000e+00  1.5236540000e+00  1.1399970000e+00  1.6143190000e+00 -1.4885960000e+00 -4.3970600000e-01  1.6172430000e+00 -5.4120500000e-01 -3.0305100000e-01  2.5269570000e+00 -1.7511780000e+00 -3.1981500000e-01
+ENERGY -1.526537510743e+02
+FORCES -2.6600000000e-05  3.9514000000e-03  2.6463000000e-03  1.6500000000e-03 -3.6467000000e-03  6.8710000000e-04 -1.7854000000e-03 -4.3140000000e-04 -3.5226000000e-03  3.1444000000e-03  3.0431000000e-03  5.8100000000e-04  8.0110000000e-04 -4.0059000000e-03  2.6500000000e-05 -3.7835000000e-03  1.0895000000e-03 -4.1830000000e-04
+
+JOB 63
+COORDS -2.4123600000e-01 -1.8806480000e+00  1.3130210000e+00 -4.0807300000e-01 -1.0276530000e+00  9.1202600000e-01 -1.7295800000e-01 -1.6962160000e+00  2.2498000000e+00  2.5728700000e-01  1.7667100000e+00 -1.2980920000e+00 -9.9973000000e-02  2.6410990000e+00 -1.1430390000e+00  4.5102200000e-01  1.7493470000e+00 -2.2353200000e+00
+ENERGY -1.526557550701e+02
+FORCES -3.9000000000e-06  4.9573000000e-03  1.3601000000e-03  6.1700000000e-05 -4.5634000000e-03  2.7626000000e-03 -3.6110000000e-04 -8.4100000000e-04 -3.4894000000e-03 -1.9520000000e-04  3.7697000000e-03 -4.0599000000e-03  1.4059000000e-03 -3.7288000000e-03 -4.8010000000e-04 -9.0740000000e-04  4.0630000000e-04  3.9067000000e-03
+
+JOB 64
+COORDS -5.5970300000e-01 -1.9924590000e+00  1.2158840000e+00  2.2111100000e-01 -2.3576040000e+00  7.9967500000e-01 -7.1705700000e-01 -2.5599560000e+00  1.9704820000e+00  5.5971100000e-01  2.0010580000e+00 -1.1954930000e+00  3.1470700000e-01  2.9040460000e+00 -9.9346200000e-01  2.1358600000e-01  1.8495180000e+00 -2.0749610000e+00
+ENERGY -1.526536410994e+02
+FORCES  3.0605000000e-03 -3.2660000000e-03  1.1622000000e-03 -3.3959000000e-03  9.4480000000e-04  1.7671000000e-03  5.2710000000e-04  2.3456000000e-03 -3.0379000000e-03 -3.0339000000e-03  2.8311000000e-03 -2.3406000000e-03  1.1657000000e-03 -3.5272000000e-03 -9.5620000000e-04  1.6765000000e-03  6.7170000000e-04  3.4053000000e-03
+
+JOB 65
+COORDS -5.2741800000e-01 -2.0841710000e+00  1.1975460000e+00 -5.1408700000e-01 -2.8890950000e+00  1.7153800000e+00 -1.3633760000e+00 -2.1120570000e+00  7.3211200000e-01  5.3706800000e-01  2.1722690000e+00 -1.2143410000e+00  6.5188600000e-01  1.3395140000e+00 -1.6721260000e+00  1.1497680000e+00  2.1290240000e+00 -4.8020200000e-01
+ENERGY -1.526548627448e+02
+FORCES -3.7298000000e-03 -3.4068000000e-03  5.1600000000e-04 -4.2100000000e-05  3.2916000000e-03 -2.1566000000e-03  3.6222000000e-03 -7.1700000000e-05  1.7770000000e-03  2.9807000000e-03 -4.1322000000e-03  1.7310000000e-03 -5.7290000000e-04  3.6238000000e-03  1.3271000000e-03 -2.2582000000e-03  6.9530000000e-04 -3.1945000000e-03
+
+JOB 66
+COORDS  1.8232870000e+00 -1.0768190000e+00  1.6859130000e+00  1.0222010000e+00 -1.5009900000e+00  1.3783870000e+00  1.5851340000e+00 -1.5463900000e-01  1.7813030000e+00 -1.8162370000e+00  1.0298540000e+00 -1.7151400000e+00 -1.7721700000e+00  1.6574750000e+00 -9.9376400000e-01 -9.4070800000e-01  6.4472700000e-01 -1.7519910000e+00
+ENERGY -1.526537624561e+02
+FORCES -4.1555000000e-03  1.5838000000e-03 -1.8920000000e-04  3.4421000000e-03  2.1420000000e-03  9.5620000000e-04  8.3810000000e-04 -3.6715000000e-03 -8.6730000000e-04  3.6525000000e-03  1.3957000000e-03  2.0972000000e-03 -1.0400000000e-05 -2.8952000000e-03 -2.7065000000e-03 -3.7668000000e-03  1.4452000000e-03  7.0960000000e-04
+
+JOB 67
+COORDS  1.5367700000e-01 -2.8106890000e+00  8.5896800000e-01 -3.7855200000e-01 -2.1297600000e+00  1.2704290000e+00  9.5257500000e-01 -2.3591320000e+00  5.8677400000e-01 -2.2699000000e-01  2.7600130000e+00 -8.4495900000e-01  1.2649100000e-01  3.2742730000e+00 -1.5707830000e+00  5.1582600000e-01  2.2432510000e+00 -5.3284900000e-01
+ENERGY -1.526538652270e+02
+FORCES  7.3400000000e-04  4.5490000000e-03  5.6320000000e-04  2.4738000000e-03 -2.8241000000e-03 -1.6481000000e-03 -3.1298000000e-03 -1.6557000000e-03  1.0788000000e-03  4.4292000000e-03  3.7810000000e-04 -2.0319000000e-03 -1.4079000000e-03 -2.1564000000e-03  3.0648000000e-03 -3.0993000000e-03  1.7091000000e-03 -1.0268000000e-03
+
+JOB 68
+COORDS -1.6017800000e+00 -5.6954600000e-01  2.5593700000e+00 -9.9847200000e-01 -6.3772800000e-01  1.8193670000e+00 -1.1233740000e+00 -5.9280000000e-02  3.2128140000e+00  1.5574670000e+00  5.1874700000e-01 -2.5006220000e+00  1.3503610000e+00  7.1338000000e-02 -3.3210880000e+00  1.4460050000e+00  1.4484090000e+00 -2.6994600000e+00
+ENERGY -1.526547569685e+02
+FORCES  4.6423000000e-03  1.7592000000e-03 -6.4410000000e-04 -2.7207000000e-03  2.2490000000e-04  3.3368000000e-03 -2.0199000000e-03 -2.0102000000e-03 -2.5025000000e-03 -1.2007000000e-03  1.9904000000e-03 -4.5101000000e-03  8.5110000000e-04  1.8601000000e-03  3.4002000000e-03  4.4790000000e-04 -3.8244000000e-03  9.1970000000e-04
+
+JOB 69
+COORDS  2.2971800000e-01  2.6853640000e+00 -2.4979810000e+00  2.1775000000e-01  3.4941480000e+00 -1.9861630000e+00 -6.5773000000e-01  2.6101570000e+00 -2.8487120000e+00 -1.4763400000e-01 -2.7762070000e+00  2.4929570000e+00 -2.5809100000e-01 -2.0804010000e+00  3.1409420000e+00 -6.7533200000e-01 -2.4942870000e+00  1.7457700000e+00
+ENERGY -1.526540600874e+02
+FORCES -3.5395000000e-03  3.1394000000e-03  4.6020000000e-04 -1.0100000000e-05 -3.3752000000e-03 -2.0218000000e-03  3.5943000000e-03  2.2620000000e-04  1.5522000000e-03 -2.4326000000e-03  4.0922000000e-03 -5.8500000000e-04  3.8380000000e-04 -2.8575000000e-03 -2.5581000000e-03  2.0040000000e-03 -1.2251000000e-03  3.1527000000e-03
+
+JOB 70
+COORDS  1.2703630000e+00 -3.4172550000e+00 -1.0591750000e+00  2.0140400000e+00 -2.8158190000e+00 -1.0211010000e+00  7.9657600000e-01 -3.1632260000e+00 -1.8511510000e+00 -1.2643630000e+00  3.3960450000e+00  1.0439220000e+00 -1.8107980000e+00  2.6543780000e+00  1.3038650000e+00 -1.0134410000e+00  3.8102780000e+00  1.8695620000e+00
+ENERGY -1.526543039131e+02
+FORCES  1.1435000000e-03  3.5806000000e-03 -3.1461000000e-03 -3.0155000000e-03 -2.5242000000e-03 -1.1560000000e-04  1.8941000000e-03 -1.1012000000e-03  3.2466000000e-03 -1.2686000000e-03 -1.3411000000e-03  4.5150000000e-03  2.2454000000e-03  3.0608000000e-03 -1.1152000000e-03 -9.9890000000e-04 -1.6748000000e-03 -3.3847000000e-03
+
+JOB 71
+COORDS -7.1991500000e-01 -2.5570990000e+00 -2.6468680000e+00 -1.4443240000e+00 -2.8825530000e+00 -2.1125060000e+00 -2.6501400000e-01 -3.3463530000e+00 -2.9407660000e+00  7.1024200000e-01  2.6810090000e+00  2.6127350000e+00  3.6073600000e-01  1.7982810000e+00  2.4908010000e+00  1.5484070000e+00  2.5482150000e+00  3.0555400000e+00
+ENERGY -1.526540580320e+02
+FORCES -1.1749000000e-03 -4.5575000000e-03  7.7520000000e-04  3.0249000000e-03  1.3537000000e-03 -2.0715000000e-03 -1.8414000000e-03  3.2311000000e-03  1.2677000000e-03  2.0265000000e-03 -4.2020000000e-03  1.0558000000e-03  1.3808000000e-03  3.6129000000e-03  6.9550000000e-04 -3.4160000000e-03  5.6180000000e-04 -1.7227000000e-03
+
+JOB 72
+COORDS -1.2588630000e+00  3.9185290000e+00 -4.0064500000e-01 -1.4740920000e+00  4.8510470000e+00 -4.1845800000e-01 -2.0437260000e+00  3.4977430000e+00 -4.9703000000e-02  1.3693650000e+00 -3.9272260000e+00  3.9973400000e-01  8.2596100000e-01 -3.6054430000e+00 -3.1957000000e-01  8.2719800000e-01 -4.5857200000e+00  8.3409800000e-01
+ENERGY -1.526540029395e+02
+FORCES -4.0077000000e-03  2.1403000000e-03  1.4337000000e-03  8.5450000000e-04 -3.8181000000e-03  5.5800000000e-05  3.1707000000e-03  1.6712000000e-03 -1.4819000000e-03 -4.3901000000e-03 -1.2398000000e-03 -1.2147000000e-03  2.1756000000e-03 -1.4210000000e-03  2.9583000000e-03  2.1970000000e-03  2.6675000000e-03 -1.7512000000e-03
+
+JOB 73
+COORDS -2.0677270000e+00  3.5655400000e+00  7.6878200000e-01 -2.7027950000e+00  4.2677670000e+00  9.0948700000e-01 -1.7486070000e+00  3.3513600000e+00  1.6454350000e+00  2.0200990000e+00 -3.5845380000e+00 -8.2107600000e-01  2.5483280000e+00 -4.2829090000e+00 -4.3444500000e-01  2.6315570000e+00 -3.1002910000e+00 -1.3759230000e+00
+ENERGY -1.526539914303e+02
+FORCES -1.2974000000e-03  1.8320000000e-03  4.1661000000e-03  2.5971000000e-03 -2.8301000000e-03 -5.8710000000e-04 -1.2988000000e-03  9.7930000000e-04 -3.5616000000e-03  4.6021000000e-03 -7.7050000000e-04 -7.6310000000e-04 -2.1590000000e-03  2.8356000000e-03 -1.5443000000e-03 -2.4440000000e-03 -2.0464000000e-03  2.2899000000e-03
+
+JOB 74
+COORDS -3.5470830000e+00  2.7940540000e+00  1.2700420000e+00 -3.1124690000e+00  1.9473430000e+00  1.1679490000e+00 -3.6300210000e+00  2.9086370000e+00  2.2167330000e+00  3.4610430000e+00 -2.7356980000e+00 -1.3104130000e+00  4.2347860000e+00 -2.1788530000e+00 -1.3968730000e+00  3.8027470000e+00 -3.6290020000e+00 -1.3488680000e+00
+ENERGY -1.526541931580e+02
+FORCES  1.5146000000e-03 -3.0689000000e-03  3.3812000000e-03 -1.8434000000e-03  3.5060000000e-03  4.6800000000e-04  3.1050000000e-04 -4.2960000000e-04 -3.8317000000e-03  4.5898000000e-03 -1.3717000000e-03 -5.9080000000e-04 -3.1656000000e-03 -2.2799000000e-03  3.8810000000e-04 -1.4059000000e-03  3.6441000000e-03  1.8520000000e-04
+
+JOB 75
+COORDS -4.9630000000e-03  4.7436900000e+00  9.2622000000e-01 -4.7468400000e-01  3.9643600000e+00  6.2917000000e-01  9.1939700000e-01  4.4999810000e+00  8.7725600000e-01 -4.4101000000e-02 -4.7510270000e+00 -9.0874700000e-01  2.9004400000e-01 -4.2087170000e+00 -1.6232250000e+00 -1.6908000000e-02 -4.1799470000e+00 -1.4104800000e-01
+ENERGY -1.526539021197e+02
+FORCES  1.8393000000e-03 -4.0688000000e-03 -1.3992000000e-03  1.9590000000e-03  3.1142000000e-03  1.2094000000e-03 -3.7964000000e-03  9.2740000000e-04  1.8710000000e-04  1.4727000000e-03  4.4326000000e-03  2.0880000000e-04 -1.3703000000e-03 -2.1493000000e-03  2.9560000000e-03 -1.0420000000e-04 -2.2561000000e-03 -3.1621000000e-03
+
+JOB 76
+COORDS  1.1336860000e+00 -1.1388710000e+00 -4.5614460000e+00  9.9174100000e-01 -1.9454990000e+00 -5.0568590000e+00  1.3686830000e+00 -1.4354460000e+00 -3.6822120000e+00 -1.1703500000e+00  1.2226510000e+00  4.4855670000e+00 -1.4921300000e+00  1.1909710000e+00  5.3865030000e+00 -2.9151200000e-01  8.4610000000e-01  4.5312390000e+00
+ENERGY -1.526540175630e+02
+FORCES  2.9630000000e-04 -4.4624000000e-03  1.6153000000e-03  6.0470000000e-04  3.2807000000e-03  2.0067000000e-03 -8.9670000000e-04  1.1770000000e-03 -3.6091000000e-03  2.2585000000e-03 -1.5922000000e-03  3.8788000000e-03  1.3198000000e-03  1.0700000000e-04 -3.6822000000e-03 -3.5828000000e-03  1.4899000000e-03 -2.0960000000e-04
+
+JOB 77
+COORDS -4.6066060000e+00 -1.4598780000e+00  2.1292340000e+00 -4.3979200000e+00 -1.7370550000e+00  3.0213410000e+00 -5.5406360000e+00 -1.6455410000e+00  2.0325430000e+00  4.6413020000e+00  1.4177280000e+00 -2.1632470000e+00  4.6205020000e+00  2.1164540000e+00 -1.5093500000e+00  4.7786960000e+00  1.8713250000e+00 -2.9948740000e+00
+ENERGY -1.526540176032e+02
+FORCES -2.9134000000e-03 -1.9293000000e-03  3.2243000000e-03 -8.7510000000e-04  1.1504000000e-03 -3.6263000000e-03  3.7989000000e-03  7.7380000000e-04  3.9850000000e-04  3.6850000000e-04  4.6927000000e-03 -7.0870000000e-04  1.4290000000e-04 -2.8393000000e-03 -2.6711000000e-03 -5.2180000000e-04 -1.8482000000e-03  3.3834000000e-03
+
+JOB 78
+COORDS -7.7672600000e-01  5.2811130000e+00 -3.0746900000e-01 -6.7195200000e-01  4.6809820000e+00  4.3083700000e-01 -1.5441460000e+00  5.8070080000e+00 -8.2230000000e-02  8.8604700000e-01 -5.2755290000e+00  2.5448100000e-01  3.0102700000e-01 -5.1794920000e+00 -4.9702400000e-01  2.9959400000e-01 -5.3972500000e+00  1.0011330000e+00
+ENERGY -1.526540550896e+02
+FORCES -2.6484000000e-03 -2.9160000000e-04  3.9439000000e-03 -4.6820000000e-04  2.4479000000e-03 -3.0174000000e-03  3.1153000000e-03 -2.1580000000e-03 -9.2510000000e-04 -4.7619000000e-03 -1.2070000000e-04 -6.9700000000e-05  2.3745000000e-03 -3.9490000000e-04  3.0954000000e-03  2.3887000000e-03  5.1740000000e-04 -3.0271000000e-03
+
+JOB 79
+COORDS -4.8163150000e+00  2.3832480000e+00 -2.0613100000e-01 -4.9808120000e+00  3.0069250000e+00 -9.1337900000e-01 -5.2684430000e+00  2.7546990000e+00  5.5138900000e-01  4.7783290000e+00 -2.4488830000e+00  2.0076500000e-01  5.3390490000e+00 -1.9687430000e+00  8.1010100000e-01  5.3854690000e+00 -2.8358740000e+00 -4.2998900000e-01
+ENERGY -1.526539564269e+02
+FORCES -2.4665000000e-03  4.0290000000e-03  2.0720000000e-04  6.5260000000e-04 -2.5331000000e-03  2.8862000000e-03  1.8291000000e-03 -1.5040000000e-03 -3.0930000000e-03  4.7103000000e-03  4.0450000000e-04 -9.2900000000e-05 -2.2638000000e-03 -1.9694000000e-03 -2.4840000000e-03 -2.4616000000e-03  1.5730000000e-03  2.5765000000e-03
+
+JOB 80
+COORDS -2.8605910000e+00 -4.5878130000e+00  8.1007400000e-01 -3.5333400000e+00 -3.9202060000e+00  6.7613300000e-01 -3.1938580000e+00 -5.3595750000e+00  3.5230900000e-01  2.9251870000e+00  4.6570290000e+00 -7.6230600000e-01  2.3391910000e+00  4.3624440000e+00 -1.4594860000e+00  3.2538620000e+00  3.8492350000e+00 -3.6774900000e-01
+ENERGY -1.526541321504e+02
+FORCES -4.1534000000e-03 -4.7930000000e-04 -2.3673000000e-03  2.7789000000e-03 -2.6966000000e-03  5.2100000000e-04  1.3734000000e-03  3.1670000000e-03  1.8514000000e-03 -1.0399000000e-03 -4.5407000000e-03 -1.2046000000e-03  2.3752000000e-03  1.2277000000e-03  2.8233000000e-03 -1.3343000000e-03  3.3220000000e-03 -1.6238000000e-03
+
+JOB 81
+COORDS  5.4755200000e+00  9.5058700000e-01  6.6940000000e-02  5.4502720000e+00  1.8011250000e+00 -3.7144200000e-01  6.1982830000e+00  1.0232450000e+00  6.9029100000e-01 -5.5323990000e+00 -9.9847200000e-01 -1.3522000000e-01 -5.5269070000e+00 -1.7719760000e+00  4.2860000000e-01 -5.1606280000e+00 -3.0320400000e-01  4.0756900000e-01
+ENERGY -1.526540923538e+02
+FORCES  2.8687000000e-03  3.7626000000e-03  7.0450000000e-04  9.6600000000e-05 -3.4659000000e-03  1.8140000000e-03 -2.9628000000e-03 -2.9740000000e-04 -2.5250000000e-03  1.6271000000e-03 -3.4060000000e-04  4.5019000000e-03 -6.5800000000e-05  3.1559000000e-03 -2.2905000000e-03 -1.5639000000e-03 -2.8145000000e-03 -2.2049000000e-03
+
+JOB 82
+COORDS -4.1442060000e+00 -4.3648680000e+00  6.0957800000e-01 -5.0262630000e+00 -4.6282240000e+00  8.7197100000e-01 -3.8923240000e+00 -5.0021310000e+00 -5.8766000000e-02  4.2323950000e+00  4.4395020000e+00 -5.6078200000e-01  4.0257790000e+00  3.5096880000e+00 -6.5558400000e-01  3.4951430000e+00  4.8921490000e+00 -9.7042000000e-01
+ENERGY -1.526541313978e+02
+FORCES -2.5941000000e-03 -3.7068000000e-03 -1.6226000000e-03  3.6020000000e-03  1.0820000000e-03 -1.0830000000e-03 -1.0131000000e-03  2.6205000000e-03  2.7117000000e-03 -3.8931000000e-03 -1.9780000000e-03 -2.0202000000e-03  8.7420000000e-04  3.8043000000e-03  3.6280000000e-04  3.0241000000e-03 -1.8220000000e-03  1.6512000000e-03
+
+JOB 83
+COORDS  5.7749760000e+00  3.3951990000e+00 -1.9672740000e+00  6.1388050000e+00  4.0015430000e+00 -2.6124150000e+00  4.8345180000e+00  3.5733090000e+00 -1.9741780000e+00 -5.7910480000e+00 -3.4092770000e+00  2.0434520000e+00 -5.3644460000e+00 -3.0741570000e+00  1.2548220000e+00 -5.3764100000e+00 -4.2579850000e+00  2.1983810000e+00
+ENERGY -1.526540830169e+02
+FORCES -2.3357000000e-03  3.2292000000e-03 -2.6497000000e-03 -1.4902000000e-03 -2.4827000000e-03  2.6275000000e-03  3.8275000000e-03 -7.4750000000e-04  2.2600000000e-05  3.4441000000e-03 -2.1098000000e-03 -2.5714000000e-03 -1.7470000000e-03 -1.3539000000e-03  3.2088000000e-03 -1.6988000000e-03  3.4648000000e-03 -6.3770000000e-04
+
+JOB 84
+COORDS -2.0730500000e+00 -6.8004860000e+00 -1.0634870000e+00 -1.2892990000e+00 -6.3342100000e+00 -1.3542680000e+00 -2.3789940000e+00 -7.2647830000e+00 -1.8426270000e+00  2.0308300000e+00  6.7359000000e+00  1.1497410000e+00  2.7440280000e+00  7.0813550000e+00  6.1286100000e-01  1.5005720000e+00  7.5027250000e+00  1.3666230000e+00
+ENERGY -1.526540679742e+02
+FORCES  1.9591000000e-03  4.5900000000e-05 -4.3517000000e-03 -3.2000000000e-03 -1.9271000000e-03  1.1739000000e-03  1.2430000000e-03  1.8815000000e-03  3.1753000000e-03  7.3560000000e-04  4.5413000000e-03 -1.2861000000e-03 -2.9066000000e-03 -1.4154000000e-03  2.1816000000e-03  2.1689000000e-03 -3.1263000000e-03 -8.9300000000e-04
+
+JOB 85
+COORDS -5.5678520000e+00 -3.4358130000e+00 -3.4855890000e+00 -5.9411710000e+00 -3.3359300000e+00 -4.3613100000e+00 -5.5596280000e+00 -2.5489160000e+00 -3.1256200000e+00  5.6425410000e+00  3.3908720000e+00  3.5594450000e+00  5.1709640000e+00  2.5761730000e+00  3.3859200000e+00  5.2237080000e+00  4.0365040000e+00  2.9902600000e+00
+ENERGY -1.526540684402e+02
+FORCES -1.5215000000e-03  4.0058000000e-03 -2.1168000000e-03  1.5340000000e-03 -3.9800000000e-04  3.5779000000e-03 -1.1000000000e-05 -3.6098000000e-03 -1.4603000000e-03 -3.6248000000e-03 -7.0720000000e-04 -3.0259000000e-03  1.9195000000e-03  3.3360000000e-03  7.0520000000e-04  1.7037000000e-03 -2.6267000000e-03  2.3199000000e-03
+
+JOB 86
+COORDS  6.9993550000e+00  1.5890410000e+00 -4.9747220000e+00  7.5594000000e+00  2.2152610000e+00 -4.5159950000e+00  6.5564360000e+00  2.1093570000e+00 -5.6450390000e+00 -7.0216270000e+00 -1.6498680000e+00  5.0396800000e+00 -6.1371030000e+00 -1.5792080000e+00  4.6807150000e+00 -7.5888580000e+00 -1.7065800000e+00  4.2707420000e+00
+ENERGY -1.526540875611e+02
+FORCES  4.9850000000e-04  4.6789000000e-03 -8.7010000000e-04 -2.2931000000e-03 -2.5548000000e-03 -1.8689000000e-03  1.7961000000e-03 -2.1248000000e-03  2.7386000000e-03  1.3043000000e-03  4.6400000000e-05 -4.6041000000e-03 -3.6135000000e-03 -2.8180000000e-04  1.4666000000e-03  2.3077000000e-03  2.3620000000e-04  3.1379000000e-03
+
+JOB 87
+COORDS -4.1756560000e+00 -2.7673440000e+00 -7.2711750000e+00 -4.6733730000e+00 -2.0169340000e+00 -7.5958200000e+00 -3.5176510000e+00 -2.9294880000e+00 -7.9471720000e+00  4.1901900000e+00  2.6870550000e+00  7.3666410000e+00  3.8335850000e+00  3.5529730000e+00  7.5647570000e+00  4.1898400000e+00  2.6403650000e+00  6.4105800000e+00
+ENERGY -1.526540731071e+02
+FORCES  6.4630000000e-04  2.3854000000e-03 -4.0894000000e-03  2.0348000000e-03 -3.0549000000e-03  1.3290000000e-03 -2.6814000000e-03  6.6850000000e-04  2.7610000000e-03 -1.4689000000e-03  3.3294000000e-03 -3.0972000000e-03  1.4599000000e-03 -3.5271000000e-03 -8.0570000000e-04  9.3000000000e-06  1.9870000000e-04  3.9023000000e-03
+
+JOB 88
+COORDS -8.1686640000e+00  3.4815230000e+00  8.5102600000e-01 -8.3859410000e+00  2.7258310000e+00  1.3968760000e+00 -8.2988500000e+00  3.1747810000e+00 -4.6299000000e-02  8.2202740000e+00 -3.4816470000e+00 -7.9974700000e-01  8.5665140000e+00 -2.5918350000e+00 -8.6745800000e-01  7.3431810000e+00 -3.4273940000e+00 -1.1792150000e+00
+ENERGY -1.526540791990e+02
+FORCES -1.4362000000e-03 -4.3313000000e-03 -1.4261000000e-03  8.9440000000e-04  3.0817000000e-03 -2.2310000000e-03  5.4170000000e-04  1.2505000000e-03  3.6575000000e-03 -2.1613000000e-03  3.8600000000e-03 -1.8193000000e-03 -1.4131000000e-03 -3.6334000000e-03  2.7340000000e-04  3.5745000000e-03 -2.2750000000e-04  1.5455000000e-03
+
+JOB 89
+COORDS -9.3129580000e+00  4.6585700000e-01  2.7079990000e+00 -9.8289470000e+00 -3.3278900000e-01  2.5977690000e+00 -9.0787740000e+00  4.7409200000e-01  3.6360740000e+00  9.3577080000e+00 -4.7237400000e-01 -2.7286710000e+00  9.1961540000e+00 -2.6519300000e-01 -3.6491100000e+00  9.0138760000e+00  2.8130300000e-01 -2.2491060000e+00
+ENERGY -1.526540867042e+02
+FORCES -1.1524000000e-03 -3.2294000000e-03  3.3384000000e-03  2.1050000000e-03  3.2596000000e-03  4.4850000000e-04 -9.5360000000e-04 -3.0400000000e-05 -3.7866000000e-03 -2.0708000000e-03  3.9217000000e-03 -1.8001000000e-03  6.6390000000e-04 -8.4650000000e-04  3.7538000000e-03  1.4078000000e-03 -3.0750000000e-03 -1.9540000000e-03
+
+JOB 0
+COORDS  2.6720700000e-01 -2.4990600000e-01  1.2092930000e+00 -2.5049000000e-02 -1.1503600000e+00  1.3507140000e+00  1.1796540000e+00 -2.4551800000e-01  1.4985230000e+00 -2.6861500000e-01  3.2273400000e-01 -1.2993290000e+00  2.6016000000e-02 -2.2554500000e-01 -5.7213200000e-01 -1.1218740000e+00  6.5425800000e-01 -1.0195590000e+00
+ENERGY -1.526551822289e+02
+FORCES  1.3759000000e-03  2.5215000000e-03 -4.6185000000e-03  1.6648000000e-03  5.6538000000e-03 -5.1797000000e-03 -5.2550000000e-03 -1.0883000000e-03 -2.1191000000e-03  1.8635000000e-03 -1.2445000000e-03  2.0472200000e-02 -9.5970000000e-04 -4.7309000000e-03 -6.6746000000e-03  1.3105000000e-03 -1.1116000000e-03 -1.8802000000e-03
+
+JOB 1
+COORDS -4.6624700000e-01 -9.9782000000e-01 -8.0130600000e-01 -1.3468530000e+00 -1.2229300000e+00 -5.0115500000e-01 -2.3425800000e-01 -2.1620800000e-01 -2.9981300000e-01  5.3854200000e-01  9.0999900000e-01  7.2918000000e-01  4.9522900000e-01  1.7968070000e+00  3.7151100000e-01 -2.9064000000e-02  9.3394900000e-01  1.4995570000e+00
+ENERGY -1.526575867881e+02
+FORCES  6.5449000000e-03  1.2990800000e-02  1.0599500000e-02  3.1119000000e-03  2.4148000000e-03  1.0522000000e-03 -7.0829000000e-03 -6.1552000000e-03 -5.3226000000e-03 -2.8471000000e-03 -2.5963000000e-03 -1.8329000000e-03 -1.1821000000e-03 -5.8871000000e-03  1.8234000000e-03  1.4552000000e-03 -7.6700000000e-04 -6.3196000000e-03
+
+JOB 2
+COORDS -1.9352800000e-01 -9.8898100000e-01  7.6185700000e-01  3.2521000000e-02 -1.9129220000e+00  6.5477700000e-01 -4.1151000000e-01 -9.0122600000e-01  1.6897660000e+00  1.6230300000e-01  1.0568000000e+00 -8.7930900000e-01 -1.7551000000e-02  2.7161700000e-01 -3.6222800000e-01  7.8228700000e-01  1.5569050000e+00 -3.4851200000e-01
+ENERGY -1.526589969506e+02
+FORCES  1.1557000000e-03  6.3790000000e-03 -4.4208000000e-03 -1.4900000000e-03  4.4851000000e-03  2.3427000000e-03  2.0518000000e-03 -2.1007000000e-03 -4.2347000000e-03 -3.7360000000e-04 -1.2643100000e-02  1.1994000000e-02  4.8710000000e-04  5.0176000000e-03 -4.9834000000e-03 -1.8310000000e-03 -1.1378000000e-03 -6.9760000000e-04
+
+JOB 3
+COORDS -1.2024550000e+00 -4.1561900000e-01  1.4129800000e-01 -1.6397330000e+00  2.9770000000e-03 -6.0018500000e-01 -1.9143940000e+00 -6.6259400000e-01  7.3153300000e-01  1.2868300000e+00  4.5659600000e-01 -1.8324400000e-01  1.8625720000e+00  8.9855000000e-02  4.8776500000e-01  4.4739900000e-01  1.7829000000e-02 -4.5144000000e-02
+ENERGY -1.526590213167e+02
+FORCES  5.6670000000e-03  3.7931000000e-03  6.5510000000e-04  2.2372000000e-03 -2.5605000000e-03  4.6153000000e-03  1.6819000000e-03  1.6243000000e-03 -4.1468000000e-03 -1.2861200000e-02 -6.5796000000e-03  5.0815000000e-03 -2.3570000000e-03  5.8620000000e-04 -1.2042000000e-03  5.6321000000e-03  3.1363000000e-03 -5.0009000000e-03
+
+JOB 4
+COORDS -2.9396200000e-01  2.5535000000e-01  1.2298680000e+00  1.8156500000e-01  9.0406000000e-02  2.0440550000e+00 -7.8138100000e-01  1.0622560000e+00  1.3958740000e+00  3.5410800000e-01 -3.1179500000e-01 -1.3145860000e+00  2.2157000000e-01 -1.5000000000e-01 -3.8051500000e-01 -4.8845900000e-01 -1.0050700000e-01 -1.7166680000e+00
+ENERGY -1.526595374322e+02
+FORCES  2.3352000000e-03  7.3640000000e-04 -4.9733000000e-03 -3.0704000000e-03  2.0431000000e-03 -3.6426000000e-03  2.3745000000e-03 -4.3945000000e-03  1.6330000000e-04 -5.9945000000e-03  3.1621000000e-03  1.4788200000e-02  2.3768000000e-03 -1.8437000000e-03 -7.7650000000e-03  1.9784000000e-03  2.9660000000e-04  1.4294000000e-03
+
+JOB 5
+COORDS  1.8472200000e-01  5.0091000000e-02 -1.3740580000e+00 -9.7056000000e-02 -2.6101600000e-01 -5.1379900000e-01 -4.2337100000e-01  7.5889800000e-01 -1.5839340000e+00 -1.5486600000e-01 -1.0001000000e-01  1.2763380000e+00 -6.3583300000e-01  5.5589500000e-01  1.7810070000e+00  6.1254300000e-01 -2.9994800000e-01  1.8123780000e+00
+ENERGY -1.526579218032e+02
+FORCES -3.8775000000e-03  1.4103000000e-03  1.5800500000e-02  5.0920000000e-04 -1.8305000000e-03 -7.5503000000e-03  1.4090000000e-03 -1.6223000000e-03  9.5550000000e-04  3.4550000000e-03  3.4107000000e-03 -6.0654000000e-03  2.9494000000e-03 -2.8933000000e-03 -1.7481000000e-03 -4.4452000000e-03  1.5251000000e-03 -1.3923000000e-03
+
+JOB 6
+COORDS  1.0243590000e+00 -7.7383900000e-01 -5.7616100000e-01  4.2590000000e-01 -1.4242920000e+00 -9.4357100000e-01  4.7896200000e-01 -2.5069900000e-01  1.1290000000e-02 -9.4013500000e-01  7.1562100000e-01  5.6783000000e-01 -1.1824170000e+00  1.1712620000e+00 -2.3834700000e-01 -1.1025050000e+00  1.3539730000e+00  1.2623620000e+00
+ENERGY -1.526603308876e+02
+FORCES -1.1211600000e-02  4.9245000000e-03  7.5991000000e-03  1.3458000000e-03  2.4432000000e-03  2.2780000000e-04  5.7365000000e-03 -3.5062000000e-03 -5.7051000000e-03  2.5758000000e-03  1.0089000000e-03 -2.4572000000e-03  1.3169000000e-03 -2.5266000000e-03  4.8439000000e-03  2.3670000000e-04 -2.3437000000e-03 -4.5085000000e-03
+
+JOB 7
+COORDS  3.0902400000e-01  4.6382100000e-01 -1.2494720000e+00  1.2578530000e+00  5.7685700000e-01 -1.1930960000e+00 -5.0429000000e-02  1.2079560000e+00 -7.6647100000e-01 -2.8563100000e-01 -5.5200500000e-01  1.2353570000e+00 -9.1824900000e-01 -1.5306800000e-01  1.8327480000e+00 -5.6292900000e-01 -2.6480500000e-01  3.6538400000e-01
+ENERGY -1.526549204401e+02
+FORCES  6.5929000000e-03  9.8440000000e-04  7.5787000000e-03 -4.3679000000e-03  8.4610000000e-04 -1.9289000000e-03 -1.8691000000e-03 -7.4755000000e-03  7.5040000000e-04  2.2580000000e-04  9.0540000000e-04 -9.2675000000e-03  2.7777000000e-03  5.5350000000e-04 -4.6030000000e-03 -3.3594000000e-03  4.1861000000e-03  7.4702000000e-03
+
+JOB 8
+COORDS -1.0455470000e+00 -9.2324700000e-01  1.1970700000e-01 -1.8543330000e+00 -4.3555200000e-01  2.7543100000e-01 -3.5549400000e-01 -2.6074900000e-01  1.5369500000e-01  9.9671100000e-01  8.7522200000e-01 -8.8319000000e-02  1.7303680000e+00  2.8894100000e-01  9.6756000000e-02  1.1337430000e+00  1.1525680000e+00 -9.9415200000e-01
+ENERGY -1.526607946958e+02
+FORCES  8.9902000000e-03  1.2223900000e-02 -3.0080000000e-04  2.7805000000e-03 -5.0170000000e-04 -9.3530000000e-04 -5.7836000000e-03 -8.9357000000e-03  1.8270000000e-03 -5.2400000000e-04 -3.6529000000e-03 -3.9514000000e-03 -5.5788000000e-03  2.3338000000e-03 -1.5492000000e-03  1.1570000000e-04 -1.4675000000e-03  4.9099000000e-03
+
+JOB 9
+COORDS -6.6714000000e-02 -4.2840800000e-01  1.2323180000e+00  7.0195300000e-01 -3.3587100000e-01  1.7951860000e+00 -8.0020200000e-01 -1.4827900000e-01  1.7798170000e+00  1.2253000000e-01  3.9584000000e-01 -1.3391010000e+00  1.0180000000e-02  2.9405900000e-01 -3.9398200000e-01 -7.4174200000e-01  6.5732300000e-01 -1.6567360000e+00
+ENERGY -1.526594526617e+02
+FORCES  1.4724000000e-03  1.5589000000e-03 -1.2688000000e-03 -4.9006000000e-03 -8.0000000000e-05 -2.4667000000e-03  4.1108000000e-03 -7.7070000000e-04 -3.4640000000e-03 -2.8309000000e-03 -4.7163000000e-03  1.3694100000e-02  2.2830000000e-04  4.9313000000e-03 -8.9993000000e-03  1.9200000000e-03 -9.2310000000e-04  2.5047000000e-03
+
+JOB 10
+COORDS -8.6436400000e-01  1.0934270000e+00  1.3687300000e-01 -1.0251900000e-01  5.3149400000e-01 -4.7430000000e-03 -5.4898700000e-01  1.7823960000e+00  7.2175900000e-01  7.6655600000e-01 -1.0486150000e+00 -1.5884200000e-01  1.2840880000e+00 -1.3979950000e+00  5.6664100000e-01  9.5130700000e-01 -1.6372050000e+00 -8.9073000000e-01
+ENERGY -1.526594018951e+02
+FORCES  8.2486000000e-03 -8.9103000000e-03 -1.1970000000e-03 -3.9770000000e-03  8.1870000000e-03  1.8725000000e-03  3.6710000000e-04 -3.5036000000e-03 -1.3014000000e-03 -2.7413000000e-03  1.1401000000e-03  1.2720000000e-04 -1.9107000000e-03  1.4719000000e-03 -4.1344000000e-03  1.3400000000e-05  1.6149000000e-03  4.6332000000e-03
+
+JOB 11
+COORDS  8.3005000000e-02  8.7875100000e-01  9.7867800000e-01  1.8401400000e-01  2.3754300000e-01  1.6821560000e+00 -2.9788000000e-02  1.7150010000e+00  1.4305580000e+00 -4.2544000000e-02 -8.9709300000e-01 -1.0985690000e+00 -7.8827000000e-01 -1.4550280000e+00 -8.7758700000e-01  1.3994000000e-02 -2.7400800000e-01 -3.7413800000e-01
+ENERGY -1.526586339297e+02
+FORCES -4.2520000000e-04  3.0380000000e-04 -2.0633000000e-03 -1.6068000000e-03  2.6647000000e-03 -5.3116000000e-03  8.5230000000e-04 -4.9359000000e-03  2.3240000000e-04 -2.1919000000e-03  8.9058000000e-03  7.9590000000e-03  2.5434000000e-03  1.7957000000e-03  6.5900000000e-04  8.2820000000e-04 -8.7342000000e-03 -1.4755000000e-03
+
+JOB 12
+COORDS  7.8275000000e-01  5.7578400000e-01 -1.0559880000e+00  2.3636800000e-01  5.1500700000e-01 -2.7240400000e-01  1.1004520000e+00 -3.1610700000e-01 -1.1967980000e+00 -7.2744200000e-01 -5.5024400000e-01  9.7705400000e-01 -1.6552690000e+00 -3.6142700000e-01  8.3663700000e-01 -5.3398600000e-01 -1.7678700000e-01  1.8369000000e+00
+ENERGY -1.526594999613e+02
+FORCES -6.8196000000e-03 -9.8190000000e-03  1.0414400000e-02  3.1308000000e-03  7.0255000000e-03 -4.2029000000e-03  4.1330000000e-04  2.6808000000e-03 -1.1857000000e-03 -1.7854000000e-03  4.9900000000e-04  2.6630000000e-04  5.7601000000e-03  1.6770000000e-04  7.5100000000e-04 -6.9910000000e-04 -5.5400000000e-04 -6.0432000000e-03
+
+JOB 13
+COORDS  3.0072500000e-01  8.0326400000e-01  1.0085440000e+00  8.8621300000e-01  1.0082910000e+00  1.7375160000e+00 -5.5136300000e-01  1.1427120000e+00  1.2823200000e+00 -3.4567000000e-01 -8.6204800000e-01 -1.0696490000e+00 -3.2746000000e-02 -4.7020700000e-01 -2.5431400000e-01  3.6344500000e-01 -7.1313100000e-01 -1.6951180000e+00
+ENERGY -1.526606426546e+02
+FORCES -1.9411000000e-03 -9.7110000000e-04 -4.7590000000e-04 -3.6587000000e-03  2.9720000000e-04 -3.2358000000e-03  5.1401000000e-03 -2.0958000000e-03 -3.6830000000e-04  6.5591000000e-03  8.1245000000e-03  8.0759000000e-03 -4.4228000000e-03 -4.7279000000e-03 -5.7514000000e-03 -1.6766000000e-03 -6.2690000000e-04  1.7556000000e-03
+
+JOB 14
+COORDS -3.4724400000e-01 -1.0006360000e+00 -7.7605900000e-01 -8.9150600000e-01 -9.0289400000e-01 -1.5573770000e+00 -6.1587000000e-02 -1.9140150000e+00 -7.9529900000e-01  3.8023400000e-01  1.0401220000e+00  8.8220300000e-01  4.6437700000e-01  1.8211580000e+00  3.3527200000e-01 -5.8188000000e-02  4.0037600000e-01  3.2118300000e-01
+ENERGY -1.526595278985e+02
+FORCES  2.7000000000e-03  5.0120000000e-04  2.6240000000e-03  3.1907000000e-03 -4.9940000000e-04  3.7231000000e-03 -2.5880000000e-03  3.8112000000e-03 -2.0351000000e-03 -2.7195000000e-03 -8.7476000000e-03 -9.4407000000e-03 -9.1370000000e-04 -2.7059000000e-03  7.3660000000e-04  3.3050000000e-04  7.6405000000e-03  4.3920000000e-03
+
+JOB 15
+COORDS -1.0071290000e+00 -7.6391900000e-01 -4.4816900000e-01 -8.4168600000e-01 -1.4155810000e+00 -1.1294890000e+00 -1.5751630000e+00 -1.2113570000e+00  1.7902100000e-01  1.0186100000e+00  8.9521300000e-01  4.3917600000e-01  1.8558690000e+00  4.7472100000e-01  6.3517900000e-01  3.8103500000e-01  1.8155300000e-01  4.5963900000e-01
+ENERGY -1.526587200213e+02
+FORCES  7.9480000000e-04 -1.5336000000e-03 -3.1152000000e-03 -1.6296000000e-03  2.4042000000e-03  4.0235000000e-03  4.7786000000e-03  2.5702000000e-03 -2.4215000000e-03 -7.0763000000e-03 -8.2769000000e-03 -3.4660000000e-03 -3.3982000000e-03  1.7920000000e-04 -1.2594000000e-03  6.5307000000e-03  4.6569000000e-03  6.2386000000e-03
+
+JOB 16
+COORDS -3.5020100000e-01  7.0463000000e-01  1.2184690000e+00 -1.6181600000e-01  4.6012700000e-01  3.1240000000e-01  3.7375100000e-01  3.3333000000e-01  1.7227140000e+00  2.7102600000e-01 -6.2445700000e-01 -1.1591500000e+00  5.2983200000e-01 -6.0716000000e-01 -2.0805360000e+00  5.4745400000e-01 -1.4865700000e+00 -8.4837400000e-01
+ENERGY -1.526600060512e+02
+FORCES  4.8125000000e-03 -4.8665000000e-03 -9.5416000000e-03 -1.8367000000e-03  3.0305000000e-03  7.8721000000e-03 -2.2217000000e-03  9.9900000000e-05 -1.4553000000e-03  3.9600000000e-04 -1.1298000000e-03  5.8390000000e-04 -8.2260000000e-04 -1.7230000000e-03  4.4564000000e-03 -3.2750000000e-04  4.5888000000e-03 -1.9156000000e-03
+
+JOB 17
+COORDS -9.9637000000e-02  1.3212710000e+00 -1.3180100000e-01 -5.9486200000e-01  2.1142050000e+00  7.3727000000e-02  6.6145900000e-01  1.6337150000e+00 -6.2102800000e-01  1.2387600000e-01 -1.4286190000e+00  1.9463400000e-01 -4.7965800000e-01 -1.7189720000e+00 -4.8923300000e-01  7.4774000000e-02 -4.7304500000e-01  1.6816100000e-01
+ENERGY -1.526608330482e+02
+FORCES -1.6340000000e-04 -3.9050000000e-04  9.9570000000e-04  3.4380000000e-03 -2.4351000000e-03 -2.4567000000e-03 -4.4029000000e-03 -1.3172000000e-03  2.6712000000e-03 -4.1430000000e-03  1.1433000000e-02 -2.4828000000e-03  1.7233000000e-03  6.3070000000e-04  1.7314000000e-03  3.5480000000e-03 -7.9208000000e-03 -4.5880000000e-04
+
+JOB 18
+COORDS -2.9240700000e-01 -9.7801400000e-01  9.8756900000e-01  3.5692300000e-01 -1.4751950000e+00  1.4849740000e+00  2.2080100000e-01 -4.8988600000e-01  3.4368900000e-01  2.5674700000e-01  9.5616800000e-01 -9.3536800000e-01 -1.9590000000e-02  5.2250900000e-01 -1.7427150000e+00 -1.4602600000e-01  1.8234160000e+00 -9.7881100000e-01
+ENERGY -1.526598610702e+02
+FORCES  3.7552000000e-03  7.0585000000e-03 -5.1628000000e-03 -1.2761000000e-03  2.7338000000e-03 -2.7241000000e-03 -6.3310000000e-04 -9.3630000000e-03  4.0057000000e-03 -5.4079000000e-03  1.5484000000e-03  1.2076000000e-03  1.6238000000e-03  1.5711000000e-03  4.6403000000e-03  1.9381000000e-03 -3.5487000000e-03 -1.9667000000e-03
+
+JOB 19
+COORDS -1.0633940000e+00  4.0300700000e-01  8.0948400000e-01 -1.3404340000e+00  5.7984300000e-01  1.7084890000e+00 -1.0864500000e-01  3.5444000000e-01  8.5773400000e-01  1.0680480000e+00 -3.9424800000e-01 -8.1471000000e-01  9.2255100000e-01 -1.2595370000e+00 -1.1972500000e+00  4.4592100000e-01  1.7569300000e-01 -1.2667680000e+00
+ENERGY -1.526595083562e+02
+FORCES  6.2420000000e-03 -2.1565000000e-03  4.0160000000e-04  2.6081000000e-03 -1.5427000000e-03 -3.1771000000e-03 -7.0311000000e-03  4.5607000000e-03  1.8798000000e-03 -7.2392000000e-03 -2.3160000000e-03 -2.8030000000e-03  1.1049000000e-03  3.6024000000e-03  6.3850000000e-04  4.3153000000e-03 -2.1478000000e-03  3.0602000000e-03
+
+JOB 20
+COORDS -1.2389100000e-01  5.5870200000e-01  1.3445590000e+00 -3.4887900000e-01  3.6375700000e-01  4.3482900000e-01  1.5765900000e-01 -2.8112400000e-01  1.7074020000e+00  1.0302800000e-01 -4.3171200000e-01 -1.2738100000e+00 -2.4095600000e-01 -1.3106330000e+00 -1.1144240000e+00  7.2335700000e-01 -5.4375500000e-01 -1.9941370000e+00
+ENERGY -1.526574061606e+02
+FORCES  3.4324000000e-03 -5.1259000000e-03 -1.0455700000e-02 -3.9960000000e-03 -2.2900000000e-04  6.9767000000e-03 -1.4161000000e-03  1.8817000000e-03 -8.1620000000e-04  3.3816000000e-03 -3.3900000000e-04  3.1200000000e-05  1.8775000000e-03  5.1975000000e-03  1.2678000000e-03 -3.2794000000e-03 -1.3852000000e-03  2.9963000000e-03
+
+JOB 21
+COORDS -8.5331600000e-01 -7.2018600000e-01  8.4831200000e-01 -9.4445400000e-01 -5.1807100000e-01 -8.2857000000e-02 -1.7236440000e+00 -5.6279000000e-01  1.2143550000e+00  8.5743100000e-01  7.0744700000e-01 -8.6391200000e-01  1.6871090000e+00  2.4369700000e-01 -9.7706000000e-01  8.8849900000e-01  1.0394600000e+00  3.3325000000e-02
+ENERGY -1.526591138820e+02
+FORCES -1.2570000000e-04  1.6554000000e-03 -6.7350000000e-03 -3.6641000000e-03 -2.6031000000e-03  6.2960000000e-03  3.9301000000e-03  7.6610000000e-04 -2.2477000000e-03  2.3194000000e-03 -2.3598000000e-03  7.5889000000e-03 -3.2898000000e-03  1.9031000000e-03  4.7530000000e-04  8.3010000000e-04  6.3830000000e-04 -5.3775000000e-03
+
+JOB 22
+COORDS  8.5736600000e-01 -1.1106970000e+00 -2.5054000000e-02  1.4760730000e+00 -1.0173300000e+00 -7.4942700000e-01  1.7710400000e-01 -1.6926040000e+00 -3.6396500000e-01 -8.6418200000e-01  1.1941230000e+00  4.7435000000e-02 -2.3970000000e-02  8.2977800000e-01  3.2587300000e-01 -1.5159130000e+00  5.7982200000e-01  3.8524300000e-01
+ENERGY -1.526578636792e+02
+FORCES -3.3458000000e-03 -3.0410000000e-04 -6.2964000000e-03 -2.8868000000e-03 -5.4500000000e-05  3.5989000000e-03  2.9327000000e-03  2.1585000000e-03  2.0764000000e-03  5.7043000000e-03 -1.0617300000e-02  2.6303000000e-03 -3.1233000000e-03  7.0226000000e-03 -2.2950000000e-04  7.1880000000e-04  1.7948000000e-03 -1.7797000000e-03
+
+JOB 23
+COORDS -1.1167980000e+00  5.1954600000e-01  6.1003200000e-01 -1.7929610000e+00  1.1054750000e+00  2.6985100000e-01 -8.6652400000e-01  9.0405100000e-01  1.4501220000e+00  1.1788810000e+00 -5.7535200000e-01 -7.0797600000e-01  1.2259790000e+00 -1.2714220000e+00 -5.2612000000e-02  5.9704300000e-01  7.9139000000e-02 -3.2153400000e-01
+ENERGY -1.526594878274e+02
+FORCES -3.0095000000e-03  2.2546000000e-03  5.0140000000e-04  3.5468000000e-03 -2.5211000000e-03  2.4886000000e-03  5.7700000000e-05 -2.2518000000e-03 -5.2164000000e-03 -1.0153600000e-02  1.7474000000e-03  6.5615000000e-03  9.8680000000e-04  1.9105000000e-03 -1.6888000000e-03  8.5717000000e-03 -1.1396000000e-03 -2.6462000000e-03
+
+JOB 24
+COORDS -2.0857600000e-01 -5.2077100000e-01  1.2635430000e+00 -1.4702000000e-01  1.3692500000e-01  1.9562760000e+00 -7.6052200000e-01 -1.2091890000e+00  1.6345810000e+00  2.9565700000e-01  5.4729400000e-01 -1.3300180000e+00 -4.1328500000e-01  5.7048800000e-01 -1.9727430000e+00 -8.3459000000e-02  1.0517900000e-01 -5.7038800000e-01
+ENERGY -1.526611956716e+02
+FORCES -2.3340000000e-04  1.0443000000e-03  3.1949000000e-03 -1.1206000000e-03 -4.1464000000e-03 -2.5484000000e-03  2.3551000000e-03  3.8194000000e-03 -1.2252000000e-03 -3.6414000000e-03 -4.2549000000e-03  7.2797000000e-03  1.6505000000e-03 -7.2670000000e-04  2.9304000000e-03  9.8980000000e-04  4.2644000000e-03 -9.6314000000e-03
+
+JOB 25
+COORDS  7.3858100000e-01  6.5477600000e-01  9.6194400000e-01  1.0543880000e+00  2.8423800000e-01  1.7860800000e+00  1.2598960000e+00  1.4482750000e+00  8.4020500000e-01 -8.4345800000e-01 -6.9702500000e-01 -9.9314800000e-01 -2.7016300000e-01 -8.2968700000e-01 -1.7481080000e+00 -2.9581600000e-01 -2.4282000000e-01 -3.5282200000e-01
+ENERGY -1.526615031665e+02
+FORCES  1.2082000000e-03  3.6010000000e-04  1.2738000000e-03 -5.1500000000e-04  3.0092000000e-03 -3.7532000000e-03 -1.6031000000e-03 -4.1567000000e-03  1.4709000000e-03  7.6275000000e-03  4.6750000000e-03  5.5215000000e-03 -1.3502000000e-03  8.3130000000e-04  2.2958000000e-03 -5.3675000000e-03 -4.7189000000e-03 -6.8088000000e-03
+
+JOB 26
+COORDS -2.0659700000e-01 -1.2707970000e+00  5.7031200000e-01  1.0918500000e-01 -2.1247040000e+00  8.6587100000e-01 -6.7024000000e-01 -1.4559190000e+00 -2.4638700000e-01  1.8159300000e-01  1.3381670000e+00 -5.9188200000e-01  5.8133200000e-01  2.0238690000e+00 -5.6855000000e-02  4.1157400000e-01  5.2224100000e-01 -1.4735400000e-01
+ENERGY -1.526607520348e+02
+FORCES -1.9833000000e-03 -4.0289000000e-03 -1.7860000000e-03 -2.2629000000e-03  3.5560000000e-03 -1.6892000000e-03  4.1319000000e-03  9.4170000000e-04  4.2794000000e-03  1.3705000000e-03 -5.0649000000e-03  6.7957000000e-03 -9.0620000000e-04 -2.5441000000e-03 -1.4072000000e-03 -3.5000000000e-04  7.1403000000e-03 -6.1927000000e-03
+
+JOB 27
+COORDS -3.6155500000e-01  1.2899980000e+00 -3.5618000000e-01  2.0638600000e-01  2.0534800000e+00 -4.5996400000e-01 -1.2491790000e+00  1.6376280000e+00 -4.4282700000e-01  3.4947600000e-01 -1.4199490000e+00  3.6270000000e-01  1.3986400000e-01 -6.1443700000e-01 -1.0999900000e-01  1.0913870000e+00 -1.1850150000e+00  9.2001900000e-01
+ENERGY -1.526605379446e+02
+FORCES -1.5045000000e-03  2.2382000000e-03  3.1340000000e-04 -3.1977000000e-03 -3.0833000000e-03  8.7170000000e-04  4.6928000000e-03 -3.4960000000e-04  1.0470000000e-04 -3.9540000000e-04  1.0808800000e-02 -7.2370000000e-04  2.0130000000e-03 -8.5456000000e-03  1.0315000000e-03 -1.6083000000e-03 -1.0684000000e-03 -1.5975000000e-03
+
+JOB 28
+COORDS -4.7442500000e-01  1.3807340000e+00 -4.4539300000e-01  4.4722900000e-01  1.1923810000e+00 -6.2233500000e-01 -8.3878100000e-01  5.4460300000e-01 -1.5494100000e-01  4.7513400000e-01 -1.3106860000e+00  3.8149500000e-01 -1.7350900000e-01 -1.9914870000e+00  5.6039100000e-01  5.4131400000e-01 -8.2091400000e-01  1.2012360000e+00
+ENERGY -1.526573724730e+02
+FORCES  4.6584000000e-03 -1.0318700000e-02 -9.8910000000e-04 -2.1412000000e-03  3.7016000000e-03  1.3039000000e-03 -2.6828000000e-03  4.9374000000e-03  1.7772000000e-03 -2.8620000000e-04 -1.6488000000e-03  4.2746000000e-03  2.0256000000e-03  4.7239000000e-03 -9.2930000000e-04 -1.5737000000e-03 -1.3953000000e-03 -5.4373000000e-03
+
+JOB 29
+COORDS  2.0187800000e-01 -1.4666480000e+00 -1.6740000000e-02 -2.2528400000e-01 -6.2947700000e-01  1.6467000000e-01 -5.0537300000e-01 -2.1104470000e+00  2.2637000000e-02 -9.1228000000e-02  1.4016490000e+00  3.1427000000e-02 -1.4671200000e-01  1.7342780000e+00 -8.6440300000e-01 -7.4392900000e-01  1.9070730000e+00  5.1594800000e-01
+ENERGY -1.526600300520e+02
+FORCES -2.7224000000e-03  7.4435000000e-03  1.0693000000e-03 -7.9060000000e-04 -1.0678100000e-02  5.4000000000e-05  1.7002000000e-03  3.5392000000e-03 -4.4300000000e-05 -1.5850000000e-04  4.1940000000e-03 -3.3048000000e-03 -6.0890000000e-04 -9.0280000000e-04  4.9133000000e-03  2.5803000000e-03 -3.5958000000e-03 -2.6876000000e-03
+
+JOB 30
+COORDS  1.3434920000e+00  6.2874600000e-01  5.0667000000e-02  1.6251510000e+00  1.2424780000e+00 -6.2773800000e-01  3.8863900000e-01  6.1934000000e-01 -1.5666000000e-02 -1.2654510000e+00 -6.0158600000e-01 -2.0183000000e-02 -2.1895270000e+00 -7.6040300000e-01 -2.1278000000e-01 -9.5653600000e-01 -1.4210760000e+00  3.6613200000e-01
+ENERGY -1.526609242581e+02
+FORCES -7.2964000000e-03 -1.4110000000e-04 -2.9486000000e-03 -1.5811000000e-03 -1.8818000000e-03  2.0345000000e-03  8.6412000000e-03  2.8802000000e-03  1.0064000000e-03 -7.0030000000e-04 -3.9940000000e-03  7.9570000000e-04  4.1045000000e-03 -5.4830000000e-04  9.0110000000e-04 -3.1679000000e-03  3.6851000000e-03 -1.7890000000e-03
+
+JOB 31
+COORDS  1.2298680000e+00 -5.0350700000e-01  4.6882500000e-01  1.6413010000e+00 -1.0954040000e+00  1.0985960000e+00  1.6223970000e+00 -7.3745700000e-01 -3.7225800000e-01 -1.3299960000e+00  5.7284500000e-01 -4.3281500000e-01 -6.1567900000e-01  7.0142000000e-02 -4.1315000000e-02 -1.0571640000e+00  7.1111500000e-01 -1.3398300000e+00
+ENERGY -1.526597306192e+02
+FORCES  3.2988000000e-03 -2.7882000000e-03  4.3500000000e-04 -9.8090000000e-04  2.7143000000e-03 -3.7809000000e-03 -3.2361000000e-03  1.2204000000e-03  3.8594000000e-03  9.0585000000e-03 -2.9599000000e-03  1.8047000000e-03 -7.8423000000e-03  2.7219000000e-03 -4.9057000000e-03 -2.9790000000e-04 -9.0850000000e-04  2.5876000000e-03
+
+JOB 32
+COORDS  7.5129200000e-01  9.3942600000e-01 -7.8454800000e-01  1.5958950000e+00  8.7062200000e-01 -3.3941600000e-01  4.8310300000e-01  1.8485630000e+00 -6.5121800000e-01 -8.4908000000e-01 -9.7733700000e-01  7.8612000000e-01 -3.4655600000e-01 -1.7842280000e+00  6.7374600000e-01 -3.3814400000e-01 -3.1053400000e-01  3.2726200000e-01
+ENERGY -1.526609495469e+02
+FORCES  2.8144000000e-03  5.0872000000e-03  3.6920000000e-04 -5.4985000000e-03 -6.9590000000e-04 -1.3817000000e-03  1.7439000000e-03 -4.9900000000e-03 -9.0500000000e-05  6.1599000000e-03  4.1129000000e-03 -7.2477000000e-03 -8.7690000000e-04  2.7697000000e-03  6.3120000000e-04 -4.3427000000e-03 -6.2839000000e-03  7.7195000000e-03
+
+JOB 33
+COORDS  1.2605500000e+00  3.2611200000e-01  6.4249200000e-01  1.5351780000e+00  1.0994470000e+00  1.1352030000e+00  7.5345200000e-01 -1.9007700000e-01  1.2690960000e+00 -1.2968050000e+00 -3.0384100000e-01 -7.1562800000e-01 -4.9592800000e-01 -8.3677000000e-02 -2.3986000000e-01 -1.1323680000e+00 -1.1772480000e+00 -1.0710890000e+00
+ENERGY -1.526581176736e+02
+FORCES  1.3766000000e-03  3.2220000000e-03  5.0441000000e-03 -9.5510000000e-04 -4.4621000000e-03 -1.6215000000e-03 -8.4970000000e-04  3.1438000000e-03 -7.7095000000e-03  8.7025000000e-03  8.4970000000e-04 -3.0150000000e-04 -7.8591000000e-03 -5.5563000000e-03  2.4679000000e-03 -4.1520000000e-04  2.8030000000e-03  2.1206000000e-03
+
+JOB 34
+COORDS -8.1953600000e-01 -1.2947660000e+00 -1.0791100000e-01 -9.0756000000e-02 -7.4223000000e-01 -3.9042700000e-01 -1.3849390000e+00 -7.0797300000e-01  3.9431000000e-01  7.5716800000e-01  1.2470820000e+00  1.2915900000e-01  1.6420200000e+00  1.1515600000e+00  4.8149900000e-01  8.5261800000e-01  1.0784900000e+00 -8.0823000000e-01
+ENERGY -1.526558934071e+02
+FORCES  2.8428000000e-03  1.0128000000e-02  4.4674000000e-03 -3.1930000000e-04 -3.4070000000e-03 -5.2376000000e-03 -3.1600000000e-04 -3.8552000000e-03 -1.8881000000e-03  4.6463000000e-03  9.4850000000e-04 -9.3380000000e-04 -4.5333000000e-03  4.9600000000e-05 -2.2789000000e-03 -2.3205000000e-03 -3.8640000000e-03  5.8710000000e-03
+
+JOB 35
+COORDS -4.7757300000e-01  5.3434800000e-01 -1.2262700000e+00 -7.1455400000e-01  1.4086880000e+00 -1.5354640000e+00 -1.0460650000e+00 -5.6942000000e-02 -1.7196510000e+00  5.7064100000e-01 -5.9406900000e-01  1.2863290000e+00  4.7627600000e-01 -7.2345000000e-02  4.8937800000e-01 -1.7159400000e-01 -3.3469000000e-01  1.8322610000e+00
+ENERGY -1.526608637789e+02
+FORCES -3.0401000000e-03 -7.2890000000e-04 -2.8320000000e-03  3.3230000000e-04 -4.3744000000e-03  1.3184000000e-03  1.9596000000e-03  4.0478000000e-03  1.5106000000e-03 -5.4429000000e-03  5.1967000000e-03 -6.4038000000e-03  3.9521000000e-03 -3.0654000000e-03  7.4175000000e-03  2.2390000000e-03 -1.0759000000e-03 -1.0106000000e-03
+
+JOB 36
+COORDS -1.3666430000e+00 -2.5461100000e-01 -4.8371100000e-01 -2.0567860000e+00  2.8812000000e-01 -8.6499300000e-01 -7.1836600000e-01 -3.4424400000e-01 -1.1822340000e+00  1.4244350000e+00  2.2600400000e-01  5.8538900000e-01  1.1910910000e+00  9.0085100000e-01 -5.2078000000e-02  6.9629900000e-01 -3.9459600000e-01  5.5528800000e-01
+ENERGY -1.526558331388e+02
+FORCES -1.9089000000e-03  2.2246000000e-03 -3.9603000000e-03  3.7126000000e-03 -2.2607000000e-03  9.8600000000e-04 -9.8010000000e-04  1.3272000000e-03  5.7615000000e-03 -9.0537000000e-03  1.3107000000e-03 -8.3410000000e-04  2.1958000000e-03 -2.5615000000e-03  2.2940000000e-04  6.0344000000e-03 -4.0300000000e-05 -2.1826000000e-03
+
+JOB 37
+COORDS  4.0528500000e-01 -1.2231330000e+00 -8.4620500000e-01  3.1449200000e-01 -8.9198400000e-01  4.7288000000e-02 -4.9439400000e-01 -1.3398800000e+00 -1.1514570000e+00 -4.0979300000e-01  1.1741900000e+00  8.0387900000e-01  2.3459700000e-01  1.2119610000e+00  1.5106790000e+00 -3.2894000000e-02  1.7107970000e+00  1.0657600000e-01
+ENERGY -1.526582778448e+02
+FORCES -6.9526000000e-03  5.0882000000e-03  5.2771000000e-03  4.1737000000e-03 -5.0419000000e-03 -2.7324000000e-03  3.4132000000e-03 -3.0360000000e-04 -1.9200000000e-04  3.9050000000e-03  4.4766000000e-03 -2.4279000000e-03 -2.5173000000e-03 -2.4186000000e-03 -4.0970000000e-03 -2.0221000000e-03 -1.8007000000e-03  4.1722000000e-03
+
+JOB 38
+COORDS -6.3839500000e-01  7.9111600000e-01  1.0636290000e+00 -8.1424000000e-01  1.2688670000e+00  1.8742240000e+00 -1.4067860000e+00  2.3336900000e-01  9.4227500000e-01  6.9957200000e-01 -8.4028600000e-01 -1.0723980000e+00  4.1074800000e-01  8.6410000000e-03 -7.3753200000e-01  8.0628300000e-01 -7.0326800000e-01 -2.0137120000e+00
+ENERGY -1.526595539715e+02
+FORCES -3.0800000000e-03 -8.3140000000e-04  4.4843000000e-03 -3.1580000000e-04 -2.6004000000e-03 -3.0738000000e-03  3.3890000000e-03  3.8092000000e-03  2.3530000000e-04 -3.0180000000e-04  5.5689000000e-03  9.2330000000e-04  1.0607000000e-03 -5.9525000000e-03 -6.3160000000e-03 -7.5210000000e-04  6.1000000000e-06  3.7469000000e-03
+
+JOB 39
+COORDS -2.5403100000e-01 -1.3836170000e+00  4.9006800000e-01  5.3331500000e-01 -1.4155450000e+00  1.0334830000e+00 -9.5820200000e-01 -1.6722420000e+00  1.0706460000e+00  3.1615300000e-01  1.4164790000e+00 -5.4351000000e-01 -3.5974700000e-01  1.9424130000e+00 -9.7104400000e-01 -1.3502300000e-01  6.1471400000e-01 -2.7922700000e-01
+ENERGY -1.526612455936e+02
+FORCES  1.5535000000e-03 -3.5999000000e-03  5.3517000000e-03 -4.6831000000e-03  1.7030000000e-04 -2.3635000000e-03  3.4222000000e-03  1.5405000000e-03 -2.5836000000e-03 -4.5106000000e-03 -5.6744000000e-03  3.5490000000e-04  1.7048000000e-03 -2.2733000000e-03  1.7392000000e-03  2.5132000000e-03  9.8368000000e-03 -2.4987000000e-03
+
+JOB 40
+COORDS -7.3078800000e-01 -1.0458240000e+00 -7.6719800000e-01 -1.2234240000e+00 -1.3990870000e+00 -2.6423000000e-02 -1.3837950000e+00 -9.3347100000e-01 -1.4579880000e+00  8.5002700000e-01  1.0735030000e+00  8.1040300000e-01  7.4633700000e-01  2.8718000000e-01  2.7451400000e-01  7.4070000000e-02  1.5996220000e+00  6.1722100000e-01
+ENERGY -1.526598064015e+02
+FORCES -5.2387000000e-03 -1.5570000000e-03 -7.1160000000e-04  2.3663000000e-03  2.2895000000e-03 -3.7297000000e-03  2.2297000000e-03 -5.9820000000e-04  3.7360000000e-03 -5.7750000000e-03 -3.8198000000e-03 -6.5080000000e-03  3.9973000000e-03  4.0388000000e-03  5.5053000000e-03  2.4205000000e-03 -3.5330000000e-04  1.7079000000e-03
+
+JOB 41
+COORDS -1.3562370000e+00  5.7146600000e-01 -1.4911500000e-01 -2.1133680000e+00  3.6959100000e-01  4.0064100000e-01 -1.5394690000e+00  1.4433160000e+00 -4.9916400000e-01  1.4671590000e+00 -6.4171000000e-01  1.6938300000e-01  9.7780900000e-01  1.3319000000e-01  4.4560400000e-01  1.0430510000e+00 -9.1616300000e-01 -6.4366000000e-01
+ENERGY -1.526589923772e+02
+FORCES -5.5205000000e-03  1.5665000000e-03  1.0310000000e-03  3.1827000000e-03  1.5814000000e-03 -2.8106000000e-03  1.4638000000e-03 -4.0898000000e-03  1.9692000000e-03 -9.0772000000e-03  3.2302000000e-03 -2.6893000000e-03  6.1449000000e-03 -1.6477000000e-03  7.9880000000e-04  3.8064000000e-03 -6.4060000000e-04  1.7008000000e-03
+
+JOB 42
+COORDS -4.8943000000e-02 -1.1111560000e+00  1.0648890000e+00  6.7819800000e-01 -1.5822820000e+00  1.4717530000e+00 -7.9679000000e-02 -1.4452130000e+00  1.6840000000e-01  3.9010000000e-02  1.2175330000e+00 -1.0132180000e+00 -7.4958000000e-01  7.7800400000e-01 -6.9514100000e-01  3.7521000000e-01  6.4063800000e-01 -1.6990700000e+00
+ENERGY -1.526522116919e+02
+FORCES  5.1682000000e-03 -1.4984000000e-03 -1.8887000000e-03 -3.1175000000e-03  1.5919000000e-03 -1.8962000000e-03 -1.5247000000e-03  2.3018000000e-03  2.4584000000e-03 -1.7348000000e-03 -4.6324000000e-03  2.2200000000e-03  2.6097000000e-03  1.0809000000e-03 -4.1081000000e-03 -1.4008000000e-03  1.1562000000e-03  3.2146000000e-03
+
+JOB 43
+COORDS -1.2681150000e+00 -1.2260900000e-01  7.9030300000e-01 -1.2954510000e+00 -4.5036500000e-01  1.6892250000e+00 -1.9269200000e+00  5.7143800000e-01  7.6778000000e-01  1.3177030000e+00  1.7685600000e-01 -8.3360600000e-01  5.0314000000e-01 -3.2552600000e-01 -8.1539300000e-01  1.9996210000e+00 -4.7711600000e-01 -9.8703300000e-01
+ENERGY -1.526576944948e+02
+FORCES -1.4192000000e-03  2.9447000000e-03  4.6246000000e-03 -6.0900000000e-04  1.3224000000e-03 -3.6651000000e-03  2.4052000000e-03 -3.3035000000e-03  4.5640000000e-04 -4.1558000000e-03 -4.0868000000e-03  1.7914000000e-03  6.5406000000e-03  1.0033000000e-03 -4.4128000000e-03 -2.7618000000e-03  2.1199000000e-03  1.2055000000e-03
+
+JOB 44
+COORDS  4.2524800000e-01 -1.4228930000e+00  1.1880400000e-01 -1.0804000000e-02 -2.1325410000e+00  5.9049300000e-01  1.1582170000e+00 -1.8464920000e+00 -3.2790800000e-01 -4.6036100000e-01  1.5245440000e+00 -6.5631000000e-02 -1.6525900000e-01  6.1759700000e-01 -1.4683200000e-01 -4.7134000000e-01  1.8546910000e+00 -9.6402600000e-01
+ENERGY -1.526610235645e+02
+FORCES  8.9000000000e-04 -5.3406000000e-03  1.4420000000e-03  2.9431000000e-03  2.1496000000e-03 -2.5659000000e-03 -3.6302000000e-03  1.3728000000e-03  1.9815000000e-03  1.9987000000e-03 -6.3896000000e-03 -2.3816000000e-03 -2.5734000000e-03  9.6031000000e-03 -1.2790000000e-03  3.7180000000e-04 -1.3953000000e-03  2.8030000000e-03
+
+JOB 45
+COORDS -2.4092800000e-01  4.2187200000e-01  1.4810470000e+00  1.9517900000e-01  6.2552200000e-01  2.3084340000e+00 -1.9505400000e-01 -5.3187300000e-01  1.4139780000e+00  2.6005300000e-01 -3.8071800000e-01 -1.4765070000e+00  2.0972000000e-01 -9.7858000000e-01 -2.2223350000e+00 -5.0249700000e-01  1.8955300000e-01 -1.5741780000e+00
+ENERGY -1.526556784947e+02
+FORCES  3.4548000000e-03 -4.1843000000e-03  9.6140000000e-04 -1.5541000000e-03 -9.7230000000e-04 -3.3242000000e-03 -1.5852000000e-03  3.8994000000e-03  2.9732000000e-03 -3.6504000000e-03  2.6121000000e-03 -3.0630000000e-03  2.8030000000e-04  2.2532000000e-03  3.8426000000e-03  3.0546000000e-03 -3.6081000000e-03 -1.3900000000e-03
+
+JOB 46
+COORDS  4.0365600000e-01  1.2696420000e+00 -8.1879500000e-01  3.5395000000e-02  2.0536360000e+00 -1.2261880000e+00  7.7511000000e-02  5.4567200000e-01 -1.3533310000e+00 -3.6566500000e-01 -1.2484090000e+00  9.4163300000e-01  3.8425200000e-01 -1.5495850000e+00  4.2865200000e-01 -1.1084110000e+00 -1.3124870000e+00  3.4125400000e-01
+ENERGY -1.526510476661e+02
+FORCES -3.3280000000e-03 -2.0720000000e-04 -2.4116000000e-03  1.2318000000e-03 -3.6125000000e-03  2.1635000000e-03  1.5702000000e-03  1.7544000000e-03  1.7026000000e-03  1.1049000000e-03  1.1809000000e-03 -3.9771000000e-03 -3.8762000000e-03  6.3530000000e-04  1.1398000000e-03  3.2972000000e-03  2.4910000000e-04  1.3828000000e-03
+
+JOB 47
+COORDS -4.1602000000e-02  1.5989850000e+00  4.1794700000e-01 -5.9075000000e-02  7.3943300000e-01 -2.8830000000e-03 -6.9896900000e-01  1.5401730000e+00  1.1112310000e+00  1.2083500000e-01 -1.4942060000e+00 -4.4904300000e-01 -4.9300200000e-01 -1.9999240000e+00 -9.8166400000e-01  4.1585000000e-02 -1.8680640000e+00  4.2855700000e-01
+ENERGY -1.526598865909e+02
+FORCES -1.8978000000e-03 -6.6177000000e-03 -1.0420000000e-03 -8.5320000000e-04  8.7378000000e-03  3.8233000000e-03  2.3100000000e-03 -1.0050000000e-04 -2.0422000000e-03 -1.7474000000e-03 -6.7934000000e-03  4.0910000000e-04  2.7593000000e-03  2.1615000000e-03  3.0663000000e-03 -5.7100000000e-04  2.6122000000e-03 -4.2145000000e-03
+
+JOB 48
+COORDS  5.0550100000e-01  1.3148670000e+00 -6.8066000000e-01  4.5109900000e-01  2.2704790000e+00 -6.7185700000e-01  1.4402910000e+00  1.1269230000e+00 -5.9654200000e-01 -5.9814200000e-01 -1.4044380000e+00  6.6111800000e-01 -3.4057000000e-01 -6.8675200000e-01  8.2486000000e-02 -5.6825000000e-02 -1.2891370000e+00  1.4420870000e+00
+ENERGY -1.526592773583e+02
+FORCES  2.7655000000e-03  5.9670000000e-03 -5.3070000000e-04  1.5266000000e-03 -4.0099000000e-03 -2.4830000000e-04 -4.9142000000e-03  1.1810000000e-04  5.3370000000e-04  2.6611000000e-03  6.7924000000e-03 -4.8830000000e-04 -6.4430000000e-04 -7.9197000000e-03  3.2425000000e-03 -1.3947000000e-03 -9.4790000000e-04 -2.5088000000e-03
+
+JOB 49
+COORDS -3.1680000000e-02 -1.3874890000e+00 -9.2315500000e-01  2.0226900000e-01 -1.9900070000e+00 -2.1713000000e-01 -3.3696600000e-01 -5.9900100000e-01 -4.7446900000e-01  6.1876000000e-02  1.3123210000e+00  8.5881800000e-01 -6.0739600000e-01  1.7321720000e+00  1.3992180000e+00  2.8199200000e-01  1.9678990000e+00  1.9700500000e-01
+ENERGY -1.526598580093e+02
+FORCES  5.2910000000e-04  3.5669000000e-03  7.1705000000e-03 -9.9660000000e-04  1.1519000000e-03 -2.7762000000e-03 -5.3040000000e-04 -6.1613000000e-03 -5.7774000000e-03 -1.5260000000e-04  6.8349000000e-03  1.0089000000e-03  3.0811000000e-03 -2.0303000000e-03 -2.7583000000e-03 -1.9307000000e-03 -3.3621000000e-03  3.1326000000e-03
+
+JOB 50
+COORDS -1.6231900000e-01  7.1726700000e-01  1.4113420000e+00  1.9751300000e-01  6.5510000000e-02  2.0129780000e+00  2.0608600000e-01  1.5487440000e+00  1.7099310000e+00  8.8503000000e-02 -7.4212800000e-01 -1.5206190000e+00  3.3816900000e-01  1.3985400000e-01 -1.2449260000e+00  3.9400900000e-01 -1.3101490000e+00 -8.1333500000e-01
+ENERGY -1.526559845381e+02
+FORCES  1.5177000000e-03  9.1090000000e-04  5.6406000000e-03 -1.1298000000e-03  2.5052000000e-03 -3.5364000000e-03 -1.4033000000e-03 -3.8900000000e-03 -2.1170000000e-03  7.0410000000e-04  3.3923000000e-03  7.7086000000e-03  6.6010000000e-04 -3.0730000000e-03 -4.6064000000e-03 -3.4880000000e-04  1.5460000000e-04 -3.0894000000e-03
+
+JOB 51
+COORDS  2.9759600000e-01  8.4758800000e-01  1.4579590000e+00 -3.3826200000e-01  7.1205200000e-01  7.5543100000e-01  8.9349800000e-01  1.0163400000e-01  1.3895080000e+00 -3.0894500000e-01 -7.6710000000e-01 -1.3471400000e+00 -8.8390800000e-01 -7.8897500000e-01 -2.1121050000e+00  4.9980300000e-01 -1.1851530000e+00 -1.6427610000e+00
+ENERGY -1.526583807685e+02
+FORCES -1.1125000000e-03 -5.2893000000e-03 -6.1666000000e-03  1.4262000000e-03  3.2694000000e-03  5.7042000000e-03 -6.3320000000e-04  2.7181000000e-03  1.3852000000e-03  1.1737000000e-03 -2.2867000000e-03 -5.6305000000e-03  2.7415000000e-03  3.0800000000e-05  3.2195000000e-03 -3.5957000000e-03  1.5577000000e-03  1.4882000000e-03
+
+JOB 52
+COORDS  5.4581400000e-01  8.4638400000e-01  1.3359270000e+00 -3.3476400000e-01  9.7839900000e-01  1.6871910000e+00  5.6170500000e-01  1.3604060000e+00  5.2861000000e-01 -5.4957000000e-01 -8.9364900000e-01 -1.2958210000e+00 -1.3793800000e-01 -6.8710400000e-01 -2.1349450000e+00  1.7988300000e-01 -9.5332100000e-01 -6.7891900000e-01
+ENERGY -1.526575639347e+02
+FORCES -5.6352000000e-03  3.8877000000e-03 -1.4262000000e-03  4.2030000000e-03 -1.5530000000e-04 -7.6010000000e-04  1.3449000000e-03 -2.8381000000e-03  3.1887000000e-03  4.9559000000e-03 -8.3800000000e-04  8.2630000000e-04 -1.4533000000e-03  1.0370000000e-04  3.8101000000e-03 -3.4154000000e-03 -1.6000000000e-04 -5.6388000000e-03
+
+JOB 53
+COORDS  9.5429900000e-01  5.2020100000e-01 -1.2409490000e+00  1.4376560000e+00  1.3226360000e+00 -1.4376630000e+00  1.6109070000e+00 -7.1535000000e-02 -8.7360000000e-01 -1.0775160000e+00 -5.6647200000e-01  1.2522510000e+00 -9.8598400000e-01 -1.1907900000e-01  4.1100600000e-01 -2.3877700000e-01 -4.2564300000e-01  1.6914720000e+00
+ENERGY -1.526580919920e+02
+FORCES  6.1633000000e-03  1.2109000000e-03 -1.4533000000e-03 -1.7989000000e-03 -3.8287000000e-03  1.0920000000e-03 -3.3000000000e-03  3.1933000000e-03 -6.6580000000e-04  4.4097000000e-03  3.9188000000e-03 -3.7633000000e-03 -2.9043000000e-03 -3.1567000000e-03  5.6460000000e-03 -2.5698000000e-03 -1.3376000000e-03 -8.5560000000e-04
+
+JOB 54
+COORDS  1.1235580000e+00  4.6320500000e-01 -1.1806500000e+00  1.2203470000e+00  9.2271000000e-02 -3.0356900000e-01  1.5717050000e+00 -1.5795900000e-01 -1.7547160000e+00 -1.1569330000e+00 -4.5614500000e-01  1.2088200000e+00 -8.7096100000e-01  4.5146200000e-01  1.3122740000e+00 -1.4181010000e+00 -5.2225900000e-01  2.9031400000e-01
+ENERGY -1.526575066636e+02
+FORCES  3.4581000000e-03 -4.6847000000e-03  1.3666000000e-03 -4.6680000000e-04  3.2167000000e-03 -4.4518000000e-03 -2.0416000000e-03  2.4586000000e-03  2.3543000000e-03 -2.1835000000e-03  4.4410000000e-03 -4.3340000000e-03  3.6650000000e-04 -4.5729000000e-03  1.8040000000e-04  8.6720000000e-04 -8.5860000000e-04  4.8845000000e-03
+
+JOB 55
+COORDS  8.3410000000e-03 -1.2609080000e+00 -1.1702690000e+00  4.6106300000e-01 -2.0726920000e+00 -9.4161800000e-01 -2.1358800000e-01 -8.6440300000e-01 -3.2779500000e-01 -5.8201000000e-02  1.2318450000e+00  1.1038520000e+00  7.5184600000e-01  1.4635750000e+00  1.5581180000e+00 -3.1605300000e-01  2.0336100000e+00  6.4897200000e-01
+ENERGY -1.526589424262e+02
+FORCES  6.0090000000e-04  6.3880000000e-04  5.8363000000e-03 -1.3907000000e-03  3.0053000000e-03 -6.7800000000e-04  2.8810000000e-04 -5.7557000000e-03 -5.8760000000e-03  2.8392000000e-03  6.0797000000e-03 -1.8130000000e-04 -3.5810000000e-03 -8.0430000000e-04 -1.7259000000e-03  1.2436000000e-03 -3.1638000000e-03  2.6250000000e-03
+
+JOB 56
+COORDS  1.0592910000e+00 -4.4117600000e-01  1.2542320000e+00  9.8801600000e-01  5.0127800000e-01  1.1028000000e+00  1.9639920000e+00 -6.5338900000e-01  1.0246380000e+00 -1.1674850000e+00  3.7848300000e-01 -1.2552450000e+00 -4.4034800000e-01 -2.2300300000e-01 -1.0948770000e+00 -8.3479000000e-01  1.2345110000e+00 -9.8550200000e-01
+ENERGY -1.526548927330e+02
+FORCES  4.2074000000e-03  3.0835000000e-03  1.6848000000e-03 -5.4800000000e-05 -4.2349000000e-03 -1.2359000000e-03 -4.6732000000e-03  1.0208000000e-03  1.7760000000e-04  4.4754000000e-03 -8.0050000000e-04  3.1639000000e-03 -3.3009000000e-03  3.9252000000e-03 -3.3357000000e-03 -6.5380000000e-04 -2.9940000000e-03 -4.5470000000e-04
+
+JOB 57
+COORDS -8.7393900000e-01 -8.6656900000e-01  1.3026710000e+00  5.0675000000e-02 -7.3404300000e-01  1.0934860000e+00 -1.3198730000e+00 -1.1993900000e-01  9.0277200000e-01  8.4230100000e-01  7.5370600000e-01 -1.2894980000e+00  1.5032100000e-01  1.3786720000e+00 -1.0731330000e+00  1.6551260000e+00  1.2130510000e+00 -1.0784260000e+00
+ENERGY -1.526553429898e+02
+FORCES  3.3404000000e-03  3.1810000000e-03 -5.0043000000e-03 -3.9900000000e-03 -8.7700000000e-04  3.7931000000e-03  8.6090000000e-04 -1.7524000000e-03  1.9414000000e-03  1.1856000000e-03  5.7014000000e-03 -9.8160000000e-04  2.4983000000e-03 -3.7229000000e-03  5.5490000000e-04 -3.8952000000e-03 -2.5301000000e-03 -3.0350000000e-04
+
+JOB 58
+COORDS -4.8095200000e-01 -1.0033710000e+00  1.2894040000e+00  2.8812400000e-01 -6.5531900000e-01  1.7406400000e+00 -1.1445380000e+00 -1.0851300000e+00  1.9743870000e+00  5.2499800000e-01  1.0370650000e+00 -1.3226440000e+00  1.0087300000e-01  9.5409500000e-01 -2.1767320000e+00  1.5485700000e-01  3.2515000000e-01 -8.0072000000e-01
+ENERGY -1.526590246033e+02
+FORCES -7.4850000000e-04  2.9270000000e-04  6.8643000000e-03 -3.7781000000e-03 -1.4547000000e-03 -2.7420000000e-03  3.2654000000e-03  1.2700000000e-05 -2.3348000000e-03 -4.2958000000e-03 -4.3214000000e-03 -1.9160000000e-04  1.5010000000e-03  4.4010000000e-04  2.9804000000e-03  4.0561000000e-03  5.0305000000e-03 -4.5762000000e-03
+
+JOB 59
+COORDS -1.5178900000e+00 -3.7740300000e-01 -8.1278500000e-01 -1.5559480000e+00  4.7790700000e-01 -1.2408370000e+00 -1.7061120000e+00 -1.9374400000e-01  1.0758100000e-01  1.5622740000e+00  3.6192200000e-01  8.0674600000e-01  1.0622260000e+00  3.5021300000e-01 -9.3700000000e-03  1.3955630000e+00 -4.9347700000e-01  1.2026400000e+00
+ENERGY -1.526571620181e+02
+FORCES -4.3023000000e-03  4.1698000000e-03  1.7824000000e-03  1.5128000000e-03 -3.9729000000e-03  2.1163000000e-03  1.7745000000e-03 -1.2484000000e-03 -4.3806000000e-03 -2.9089000000e-03 -5.1372000000e-03 -3.2194000000e-03  3.2700000000e-03  2.4657000000e-03  4.1724000000e-03  6.5390000000e-04  3.7229000000e-03 -4.7110000000e-04
+
+JOB 60
+COORDS -4.6461900000e-01 -6.6630700000e-01  1.5124730000e+00 -1.9078600000e-01  1.9757000000e-02  2.1212120000e+00 -1.3070710000e+00 -9.6711300000e-01  1.8530910000e+00  5.3603600000e-01  6.2476000000e-01 -1.5214960000e+00 -4.1734000000e-01  5.5203600000e-01 -1.5664160000e+00  7.7561500000e-01  1.1247160000e+00 -2.3018020000e+00
+ENERGY -1.526537681009e+02
+FORCES -7.7870000000e-04  1.9621000000e-03  4.5350000000e-03 -1.6959000000e-03 -3.1690000000e-03 -1.9721000000e-03  3.3535000000e-03  1.4150000000e-03 -2.1973000000e-03 -3.8974000000e-03  5.5000000000e-04 -2.4159000000e-03  3.8614000000e-03  1.3072000000e-03 -1.5289000000e-03 -8.4290000000e-04 -2.0652000000e-03  3.5794000000e-03
+
+JOB 61
+COORDS -9.2819500000e-01  1.6198080000e+00 -7.4650000000e-03 -5.8214100000e-01  7.2995100000e-01  6.0605000000e-02 -1.8524990000e+00  1.5017560000e+00 -2.2645500000e-01  9.9253800000e-01 -1.5475610000e+00  7.2761000000e-02  8.7870500000e-01 -1.0526010000e+00 -7.3858900000e-01  5.2350900000e-01 -2.3680820000e+00 -7.8861000000e-02
+ENERGY -1.526556295994e+02
+FORCES -2.2203000000e-03 -4.3651000000e-03  1.3753000000e-03 -1.9912000000e-03  5.0548000000e-03 -3.4558000000e-03  3.8370000000e-03  3.1580000000e-04  5.9650000000e-04  2.7330000000e-04 -4.0032000000e-03 -4.5203000000e-03 -1.7539000000e-03 -1.0617000000e-03  5.3705000000e-03  1.8552000000e-03  4.0594000000e-03  6.3380000000e-04
+
+JOB 62
+COORDS  1.5783990000e+00 -8.1045600000e-01 -5.9004800000e-01  1.7543300000e+00  8.5605000000e-02 -3.0307200000e-01  1.2056670000e+00 -7.1300500000e-01 -1.4662930000e+00 -1.5219030000e+00  8.1209100000e-01  6.4221600000e-01 -1.8438230000e+00  7.9283000000e-02  1.1671850000e+00 -1.9466770000e+00  7.0268300000e-01 -2.0856600000e-01
+ENERGY -1.526548058547e+02
+FORCES -2.0408000000e-03  5.4006000000e-03 -1.2262000000e-03  9.2050000000e-04 -4.0140000000e-03 -1.9193000000e-03  1.3656000000e-03 -8.0000000000e-04  2.9597000000e-03 -2.7296000000e-03 -4.8347000000e-03 -7.9520000000e-04  5.1350000000e-04  3.4988000000e-03 -2.0245000000e-03  1.9707000000e-03  7.4930000000e-04  3.0055000000e-03
+
+JOB 63
+COORDS -1.7314340000e+00 -4.2323600000e-01 -3.5185500000e-01 -1.4793890000e+00 -1.2898590000e+00 -3.2997000000e-02 -2.3969770000e+00 -5.9667400000e-01 -1.0175900000e+00  1.7970240000e+00  4.6201500000e-01  3.2424200000e-01  1.4686580000e+00  1.3422220000e+00  5.0766400000e-01  1.3928530000e+00 -8.9355000000e-02  9.9421900000e-01
+ENERGY -1.526541448640e+02
+FORCES -1.3274000000e-03 -4.4719000000e-03 -2.6915000000e-03 -9.7270000000e-04  3.7122000000e-03 -3.5860000000e-04  2.6363000000e-03  7.2990000000e-04  2.8396000000e-03 -5.2179000000e-03  1.8617000000e-03  2.6534000000e-03  2.5628000000e-03 -3.0508000000e-03 -2.6340000000e-04  2.3189000000e-03  1.2189000000e-03 -2.1796000000e-03
+
+JOB 64
+COORDS  1.1262700000e-01 -1.2873300000e+00 -1.3244620000e+00 -3.5371700000e-01 -1.2423610000e+00 -4.8975700000e-01 -1.9080600000e-01 -2.1018740000e+00 -1.7253100000e+00 -9.3830000000e-02  1.2925100000e+00  1.2489860000e+00  5.9627400000e-01  1.9347770000e+00  1.0832090000e+00 -2.7586600000e-01  1.3721240000e+00  2.1853390000e+00
+ENERGY -1.526560319785e+02
+FORCES -3.3419000000e-03 -1.6653000000e-03  2.9447000000e-03  1.5767000000e-03 -2.8803000000e-03 -4.7773000000e-03  1.1712000000e-03  3.2046000000e-03  1.6781000000e-03  3.0920000000e-03  4.2230000000e-03  2.5702000000e-03 -3.1288000000e-03 -2.2111000000e-03  1.5571000000e-03  6.3080000000e-04 -6.7090000000e-04 -3.9729000000e-03
+
+JOB 65
+COORDS  6.6645300000e-01 -1.7511930000e+00  1.7057000000e-02  9.1899600000e-01 -2.2063750000e+00 -7.8622600000e-01  1.3780290000e+00 -1.9343510000e+00  6.3052600000e-01 -7.3311700000e-01  1.8177220000e+00  4.6461000000e-02 -3.0336000000e-02  2.0133660000e+00 -5.7326000000e-01 -1.1657650000e+00  1.0452700000e+00 -3.1735900000e-01
+ENERGY -1.526553236358e+02
+FORCES  4.5659000000e-03 -3.0263000000e-03  5.7560000000e-04 -1.2878000000e-03  2.4404000000e-03  3.1025000000e-03 -2.7882000000e-03  3.0520000000e-04 -2.9540000000e-03  1.8977000000e-03 -4.6091000000e-03 -3.5620000000e-03 -2.7456000000e-03  1.8430000000e-04  2.1253000000e-03  3.5800000000e-04  4.7055000000e-03  7.1270000000e-04
+
+JOB 66
+COORDS -1.9344930000e+00  4.7919000000e-02 -4.6753200000e-01 -1.3095570000e+00  5.9151600000e-01  1.2249000000e-02 -2.0496760000e+00 -7.2729000000e-01  8.2026000000e-02  1.8898510000e+00 -1.0271500000e-01  4.3600500000e-01  1.9633280000e+00  6.9236600000e-01  9.6390600000e-01  2.0906720000e+00  1.8179400000e-01 -4.5559900000e-01
+ENERGY -1.526554913141e+02
+FORCES  3.5745000000e-03 -1.9806000000e-03  4.6956000000e-03 -3.6219000000e-03 -6.7870000000e-04 -2.1744000000e-03 -5.8340000000e-04  3.1388000000e-03 -2.2327000000e-03  2.9694000000e-03  3.7120000000e-03 -2.2493000000e-03 -1.4905000000e-03 -3.3319000000e-03 -2.3056000000e-03 -8.4810000000e-04 -8.5960000000e-04  4.2664000000e-03
+
+JOB 67
+COORDS -3.6388600000e-01 -1.8978180000e+00  4.5482500000e-01 -1.0763600000e-01 -2.7357810000e+00  6.9618000000e-02 -4.0397000000e-02 -1.9384670000e+00  1.3547890000e+00  2.7804700000e-01  1.9860290000e+00 -4.8947800000e-01  3.4316400000e-01  1.0546920000e+00 -2.7828600000e-01  1.1861460000e+00  2.2832570000e+00 -5.4643600000e-01
+ENERGY -1.526564321971e+02
+FORCES  1.2294000000e-03 -5.4987000000e-03  2.3009000000e-03 -9.4950000000e-04  3.5631000000e-03  1.9198000000e-03 -8.9420000000e-04  6.4410000000e-04 -4.2285000000e-03  3.1076000000e-03 -3.8339000000e-03  4.2080000000e-04  9.2620000000e-04  6.2475000000e-03 -7.3230000000e-04 -3.4196000000e-03 -1.1220000000e-03  3.1930000000e-04
+
+JOB 68
+COORDS  1.3624070000e+00  1.2920720000e+00 -9.2461500000e-01  1.0813370000e+00  3.7726300000e-01 -9.4350600000e-01  5.8207700000e-01  1.7773990000e+00 -6.5670700000e-01 -1.2629980000e+00 -1.2760340000e+00  8.6642300000e-01 -1.7006010000e+00 -1.9661280000e+00  1.3649260000e+00 -1.6187600000e+00 -4.6129000000e-01  1.2211870000e+00
+ENERGY -1.526557042603e+02
+FORCES -4.5823000000e-03 -2.9717000000e-03  1.1388000000e-03  2.0156000000e-03  4.8671000000e-03 -6.9300000000e-04  2.9298000000e-03 -1.3501000000e-03 -7.7600000000e-04 -3.7777000000e-03 -6.4930000000e-04  4.4040000000e-03  1.6374000000e-03  3.0730000000e-03 -1.9659000000e-03  1.7772000000e-03 -2.9689000000e-03 -2.1078000000e-03
+
+JOB 69
+COORDS -8.1114800000e-01  1.7058220000e+00  1.1420480000e+00 -4.0496000000e-01  2.5368640000e+00  1.3882410000e+00 -1.1039000000e-01  1.2135780000e+00  7.1441700000e-01  7.8608500000e-01 -1.6683510000e+00 -1.1348050000e+00  9.9380800000e-01 -2.4991250000e+00 -7.0714000000e-01 -8.5723000000e-02 -1.8013920000e+00 -1.5069380000e+00
+ENERGY -1.526561947294e+02
+FORCES  4.9519000000e-03  8.1890000000e-04 -1.1326000000e-03 -1.6279000000e-03 -3.1950000000e-03 -8.8310000000e-04 -3.5558000000e-03  3.2307000000e-03  2.5161000000e-03 -2.8022000000e-03 -4.9285000000e-03 -2.8490000000e-04 -8.3170000000e-04  3.4667000000e-03 -1.8486000000e-03  3.8656000000e-03  6.0720000000e-04  1.6331000000e-03
+
+JOB 70
+COORDS  1.2065000000e-01 -1.1685210000e+00  1.8556860000e+00 -3.8811100000e-01 -3.6635200000e-01  1.9736660000e+00  9.3811900000e-01 -1.0056350000e+00  2.3262660000e+00 -1.3141700000e-01  1.0844240000e+00 -1.8237000000e+00 -8.5747400000e-01  9.9435300000e-01 -2.4409200000e+00  5.2409900000e-01  1.5964660000e+00 -2.2973500000e+00
+ENERGY -1.526539299566e+02
+FORCES  1.2804000000e-03  4.7485000000e-03  1.0787000000e-03  1.8079000000e-03 -3.6168000000e-03  6.4130000000e-04 -3.1683000000e-03 -8.4060000000e-04 -1.5888000000e-03 -1.6570000000e-04  1.0370000000e-03 -4.7827000000e-03  2.9345000000e-03  6.3860000000e-04  2.5814000000e-03 -2.6888000000e-03 -1.9667000000e-03  2.0701000000e-03
+
+JOB 71
+COORDS -7.1747800000e-01 -8.1047100000e-01  1.9538240000e+00 -7.7719600000e-01 -8.0020500000e-01  2.9091040000e+00 -4.6518700000e-01  8.2663000000e-02  1.7195280000e+00  7.0710200000e-01  7.0564100000e-01 -2.0263880000e+00  1.4718170000e+00  1.2053240000e+00 -1.7404510000e+00 -3.9676000000e-02  1.1787460000e+00 -1.6593380000e+00
+ENERGY -1.526531836030e+02
+FORCES  1.0659000000e-03  3.3524000000e-03  2.8837000000e-03  2.7850000000e-04 -3.5800000000e-05 -4.0313000000e-03 -1.3497000000e-03 -3.1291000000e-03  9.1830000000e-04  4.6000000000e-06  3.5337000000e-03  2.0518000000e-03 -3.3480000000e-03 -1.9897000000e-03 -8.7790000000e-04  3.3486000000e-03 -1.7315000000e-03 -9.4450000000e-04
+
+JOB 72
+COORDS  1.5141120000e+00 -6.6408600000e-01 -1.5027920000e+00  2.3544650000e+00 -2.3680000000e-01 -1.6685200000e+00  1.7343050000e+00 -1.4279890000e+00 -9.6968900000e-01 -1.5505870000e+00  6.3599800000e-01  1.5393180000e+00 -2.4369910000e+00  8.4925500000e-01  1.2477010000e+00 -9.7926900000e-01  1.1338710000e+00  9.5455300000e-01
+ENERGY -1.526551803330e+02
+FORCES  4.4262000000e-03 -2.2237000000e-03  1.5292000000e-03 -3.5948000000e-03 -1.5226000000e-03  7.7170000000e-04 -5.6370000000e-04  3.2680000000e-03 -2.5119000000e-03 -8.6460000000e-04  2.5824000000e-03 -4.4557000000e-03  3.3768000000e-03 -7.6190000000e-04  1.3671000000e-03 -2.7799000000e-03 -1.3422000000e-03  3.2996000000e-03
+
+JOB 73
+COORDS -9.7629800000e-01  1.1180120000e+00  1.8834730000e+00 -1.0121790000e+00  3.5844700000e-01  1.3020910000e+00 -4.5995300000e-01  1.7644820000e+00  1.4021250000e+00  9.2333900000e-01 -1.1482880000e+00 -1.8639930000e+00  1.8453860000e+00 -9.4517000000e-01 -1.7064980000e+00  4.5313500000e-01 -6.7922200000e-01 -1.1747060000e+00
+ENERGY -1.526527470012e+02
+FORCES  1.1414000000e-03 -2.2400000000e-05 -3.6492000000e-03  1.1327000000e-03  3.2742000000e-03  1.6221000000e-03 -1.9288000000e-03 -3.3729000000e-03  1.7309000000e-03  2.5031000000e-03  2.3786000000e-03  3.0625000000e-03 -4.1286000000e-03 -7.1480000000e-04 -6.4840000000e-04  1.2802000000e-03 -1.5427000000e-03 -2.1179000000e-03
+
+JOB 74
+COORDS -1.3683500000e+00 -7.6768500000e-01 -1.9497570000e+00 -1.5105600000e+00 -1.6440410000e+00 -2.3075400000e+00 -2.2350940000e+00 -3.6158300000e-01 -1.9579040000e+00  1.4762620000e+00  8.2716200000e-01  1.9472990000e+00  1.4282680000e+00  4.7658700000e-01  2.8366950000e+00  6.4634600000e-01  5.7268300000e-01  1.5439230000e+00
+ENERGY -1.526546978797e+02
+FORCES -4.0460000000e-03 -2.0656000000e-03 -2.2989000000e-03  4.4990000000e-04  3.6463000000e-03  1.5753000000e-03  3.6303000000e-03 -1.7011000000e-03  3.6950000000e-04 -3.7403000000e-03 -2.7162000000e-03  1.1970000000e-03  2.1540000000e-04  1.4287000000e-03 -3.4572000000e-03  3.4908000000e-03  1.4078000000e-03  2.6143000000e-03
+
+JOB 75
+COORDS -3.4061300000e-01  2.4792450000e+00 -2.6263000000e-02 -4.0806200000e-01  3.2132260000e+00  5.8443700000e-01 -9.1547800000e-01  2.7183670000e+00 -7.5329900000e-01  3.9047100000e-01 -2.5005730000e+00  8.4819000000e-02  9.5151100000e-01 -3.1364230000e+00 -3.5920800000e-01 -4.0935100000e-01 -2.4781410000e+00 -4.4055100000e-01
+ENERGY -1.526533592039e+02
+FORCES -2.4424000000e-03  3.8759000000e-03 -1.8810000000e-04  2.5700000000e-04 -2.9387000000e-03 -2.5870000000e-03  2.2944000000e-03 -1.1162000000e-03  2.8829000000e-03 -1.0041000000e-03 -1.8082000000e-03 -4.0284000000e-03 -2.2648000000e-03  2.5056000000e-03  1.8514000000e-03  3.1599000000e-03 -5.1850000000e-04  2.0693000000e-03
+
+JOB 76
+COORDS -2.0611330000e+00 -3.0551300000e-01 -1.5106550000e+00 -2.6379230000e+00  4.5838800000e-01 -1.5099490000e+00 -2.4386720000e+00 -8.9068500000e-01 -2.1673660000e+00  2.1273080000e+00  2.5668500000e-01  1.4957490000e+00  2.2482960000e+00 -1.6329000000e-02  2.4051760000e+00  1.8490420000e+00  1.1706560000e+00  1.5545530000e+00
+ENERGY -1.526533925669e+02
+FORCES -3.6441000000e-03  5.1730000000e-04 -2.7435000000e-03  2.3899000000e-03 -3.0214000000e-03  1.0700000000e-04  1.4507000000e-03  2.4275000000e-03  2.7006000000e-03 -1.2637000000e-03  2.5041000000e-03  3.6214000000e-03 -3.5580000000e-04  1.1047000000e-03 -3.6513000000e-03  1.4231000000e-03 -3.5321000000e-03 -3.4200000000e-05
+
+JOB 77
+COORDS -1.5325440000e+00 -2.4239580000e+00  4.3377500000e-01 -2.0095720000e+00 -1.7075100000e+00  1.4993000000e-02 -1.2335950000e+00 -2.9703890000e+00 -2.9305000000e-01  1.5609780000e+00  2.3551810000e+00 -3.4281700000e-01  1.2710820000e+00  2.5052440000e+00 -1.2426360000e+00  1.5326210000e+00  3.2202780000e+00  6.5883000000e-02
+ENERGY -1.526537785984e+02
+FORCES -2.6090000000e-04  1.0716000000e-03 -4.5978000000e-03  1.6249000000e-03 -3.0839000000e-03  1.5971000000e-03 -1.3672000000e-03  2.0942000000e-03  2.9008000000e-03 -1.1264000000e-03  4.2002000000e-03 -1.7701000000e-03  1.0392000000e-03 -7.4640000000e-04  3.6298000000e-03  9.0300000000e-05 -3.5357000000e-03 -1.7597000000e-03
+
+JOB 78
+COORDS  2.8082300000e-01 -6.3381500000e-01  2.8059300000e+00 -4.4463000000e-01 -1.2304850000e+00  2.6217160000e+00  5.7688100000e-01 -8.7938800000e-01  3.6824440000e+00 -3.0135700000e-01  7.2418800000e-01 -2.8398000000e+00 -7.9629000000e-02 -1.5034000000e-02 -2.2735680000e+00  3.4181000000e-01  6.8564000000e-01 -3.5476710000e+00
+ENERGY -1.526541658079e+02
+FORCES -1.8983000000e-03 -3.1920000000e-03  3.1482000000e-03  3.1237000000e-03  2.3257000000e-03  5.2910000000e-04 -1.1990000000e-03  9.5050000000e-04 -3.6215000000e-03  3.7884000000e-03 -3.0051000000e-03 -1.4550000000e-04 -1.1507000000e-03  2.7855000000e-03 -2.6647000000e-03 -2.6641000000e-03  1.3540000000e-04  2.7544000000e-03
+
+JOB 79
+COORDS  1.4612390000e+00  6.1450600000e-01 -2.8641110000e+00  2.3797530000e+00  7.5176100000e-01 -3.0958990000e+00  1.3606220000e+00 -3.3695100000e-01 -2.8351810000e+00 -1.5035250000e+00 -5.1173600000e-01  2.9158770000e+00 -2.2041810000e+00 -7.3201100000e-01  2.3020430000e+00 -8.7666000000e-01 -1.2302820000e+00  2.8324290000e+00
+ENERGY -1.526538639991e+02
+FORCES  3.4438000000e-03 -3.1484000000e-03 -8.1600000000e-04 -3.7749000000e-03 -6.2150000000e-04  9.2240000000e-04  3.1610000000e-04  3.7992000000e-03 -4.5900000000e-05 -2.6110000000e-04 -3.5906000000e-03 -3.0435000000e-03  2.8225000000e-03  7.4880000000e-04  2.5991000000e-03 -2.5464000000e-03  2.8124000000e-03  3.8380000000e-04
+
+JOB 80
+COORDS  2.1457560000e+00  1.9104350000e+00 -1.5585480000e+00  3.0703940000e+00  1.9700600000e+00 -1.7988000000e+00  2.1020400000e+00  2.2834090000e+00 -6.7808700000e-01 -2.1867530000e+00 -1.9264380000e+00  1.5926670000e+00 -1.8201120000e+00 -2.6075960000e+00  1.0289030000e+00 -2.6894590000e+00 -1.3685460000e+00  9.9914000000e-01
+ENERGY -1.526543990438e+02
+FORCES  3.6431000000e-03  1.7826000000e-03  2.7472000000e-03 -3.7667000000e-03 -2.5360000000e-04  9.4380000000e-04  1.8780000000e-04 -1.4655000000e-03 -3.6971000000e-03 -4.2110000000e-04 -4.2270000000e-04 -4.9493000000e-03 -1.5630000000e-03  2.6490000000e-03  2.4073000000e-03  1.9200000000e-03 -2.2899000000e-03  2.5481000000e-03
+
+JOB 81
+COORDS  1.8704300000e-01  3.3849130000e+00 -3.6957100000e-01 -1.9145000000e-01  4.2640990000e+00 -3.6685300000e-01  6.9221300000e-01  3.3385980000e+00  4.4214900000e-01 -2.2344000000e-01 -3.4833170000e+00  3.4890000000e-01  2.9042700000e-01 -2.7829250000e+00  7.5092400000e-01 -2.4930600000e-01 -3.2584710000e+00 -5.8115700000e-01
+ENERGY -1.526543347216e+02
+FORCES  4.0290000000e-04  3.6570000000e-03  3.2942000000e-03  1.5893000000e-03 -3.6044000000e-03  6.5000000000e-06 -2.0257000000e-03  7.0000000000e-07 -3.3296000000e-03  1.8861000000e-03  4.0004000000e-03 -2.2983000000e-03 -1.9938000000e-03 -2.9545000000e-03 -1.4679000000e-03  1.4120000000e-04 -1.0991000000e-03  3.7950000000e-03
+
+JOB 82
+COORDS -5.1665600000e-01  1.1882490000e+00 -3.7154380000e+00 -6.0528700000e-01  1.0108950000e+00 -2.7789960000e+00  1.7335500000e-01  1.8493960000e+00 -3.7702220000e+00  4.5874700000e-01 -1.2594280000e+00  3.6898510000e+00  1.6740300000e-01 -3.4765400000e-01  3.6857310000e+00  1.3000130000e+00 -1.2446200000e+00  3.2334700000e+00
+ENERGY -1.526538835957e+02
+FORCES  2.3667000000e-03  1.9256000000e-03  3.5118000000e-03  4.5330000000e-04  7.9470000000e-04 -3.7734000000e-03 -2.8010000000e-03 -2.7135000000e-03  2.9510000000e-04  2.2911000000e-03  3.6770000000e-03 -1.6615000000e-03  1.1943000000e-03 -3.7080000000e-03 -1.3830000000e-04 -3.5044000000e-03  2.4300000000e-05  1.7662000000e-03
+
+JOB 83
+COORDS  4.1339210000e+00  3.4786400000e-01  2.9624100000e-01  3.2189580000e+00  4.9217600000e-01  5.4894000000e-02  4.6130210000e+00  1.0453610000e+00 -1.5118800000e-01 -4.0868230000e+00 -4.4769800000e-01 -2.6955900000e-01 -3.7160420000e+00  3.9083500000e-01 -5.4454300000e-01 -4.9126670000e+00 -2.1696800000e-01  1.5585600000e-01
+ENERGY -1.526539984156e+02
+FORCES -1.8187000000e-03  3.3126000000e-03 -2.8193000000e-03  3.7653000000e-03 -4.7280000000e-04  9.7830000000e-04 -1.9635000000e-03 -2.8151000000e-03  1.8337000000e-03 -1.9933000000e-03  4.3001000000e-03  6.6290000000e-04 -1.3881000000e-03 -3.4085000000e-03  1.1057000000e-03  3.3984000000e-03 -9.1640000000e-04 -1.7613000000e-03
+
+JOB 84
+COORDS -1.6035310000e+00 -3.6721590000e+00  2.2038740000e+00 -2.5312090000e+00 -3.5507890000e+00  2.4061470000e+00 -1.1567240000e+00 -3.5443480000e+00  3.0406890000e+00  1.6813230000e+00  3.6500650000e+00 -2.3027160000e+00  7.8121100000e-01  3.3705480000e+00 -2.4697520000e+00  1.6474820000e+00  4.0661190000e+00 -1.4413300000e+00
+ENERGY -1.526540541286e+02
+FORCES -1.9239000000e-03  9.1340000000e-04  4.2583000000e-03  3.7855000000e-03 -4.4060000000e-04 -8.4410000000e-04 -1.8487000000e-03 -4.7860000000e-04 -3.4207000000e-03 -3.8223000000e-03  4.2270000000e-04  2.8385000000e-03  3.6638000000e-03  1.2275000000e-03  6.7100000000e-04  1.4560000000e-04 -1.6443000000e-03 -3.5032000000e-03
+
+JOB 85
+COORDS  1.9540830000e+00 -3.4491640000e+00 -3.3994780000e+00  2.8845500000e+00 -3.3183730000e+00 -3.5821190000e+00  1.5033840000e+00 -2.9413160000e+00 -4.0741580000e+00 -1.9749820000e+00  3.4005730000e+00  3.5080290000e+00 -1.3449430000e+00  3.8172150000e+00  2.9200740000e+00 -2.7339960000e+00  3.2161950000e+00  2.9547340000e+00
+ENERGY -1.526540360551e+02
+FORCES  1.9898000000e-03  2.5486000000e-03 -3.4955000000e-03 -3.8118000000e-03 -5.1060000000e-04  7.3870000000e-04  1.8212000000e-03 -2.0391000000e-03  2.7672000000e-03 -5.1180000000e-04  8.6660000000e-04 -4.6618000000e-03 -2.5732000000e-03 -1.6601000000e-03  2.3958000000e-03  3.0858000000e-03  7.9460000000e-04  2.2556000000e-03
+
+JOB 86
+COORDS -1.8924000000e-02 -6.0794990000e+00  4.8548600000e-01  3.2973500000e-01 -6.2974430000e+00 -3.7890300000e-01  5.3366900000e-01 -6.5663810000e+00  1.0968940000e+00  2.7110000000e-02  6.1247490000e+00 -4.3504400000e-01 -7.6180000000e-01  5.6359860000e+00 -2.0059900000e-01 -1.4250400000e-01  6.4432510000e+00 -1.3216210000e+00
+ENERGY -1.526541006191e+02
+FORCES  3.7051000000e-03 -2.8681000000e-03 -1.0157000000e-03 -1.4373000000e-03  8.8790000000e-04  3.5164000000e-03 -2.2641000000e-03  1.9770000000e-03 -2.4990000000e-03 -3.9230000000e-03 -7.4260000000e-04 -2.6442000000e-03  3.2181000000e-03  2.0271000000e-03 -9.6480000000e-04  7.0120000000e-04 -1.2813000000e-03  3.6073000000e-03
+
+JOB 87
+COORDS -5.3163070000e+00 -3.9379960000e+00  3.7555400000e-01 -6.1497750000e+00 -3.5164470000e+00  5.8497900000e-01 -4.8575810000e+00 -3.9924480000e+00  1.2139080000e+00  5.3308330000e+00  3.8872780000e+00 -3.7537600000e-01  6.0846570000e+00  4.0318430000e+00 -9.4728700000e-01  4.6099770000e+00  4.3447000000e+00 -8.0823100000e-01
+ENERGY -1.526540896544e+02
+FORCES -1.5001000000e-03  1.4989000000e-03  4.2888000000e-03  3.3896000000e-03 -1.7178000000e-03 -8.6340000000e-04 -1.8905000000e-03  2.1760000000e-04 -3.4230000000e-03  1.2750000000e-04  2.4339000000e-03 -4.1218000000e-03 -3.0695000000e-03 -5.8060000000e-04  2.3406000000e-03  2.9432000000e-03 -1.8520000000e-03  1.7787000000e-03
+
+JOB 88
+COORDS  6.6877180000e+00 -1.2322450000e+00 -2.2982440000e+00  6.5626680000e+00 -7.1738100000e-01 -3.0954330000e+00  6.1134560000e+00 -1.9899440000e+00 -2.4093650000e+00 -6.6372770000e+00  1.2707580000e+00  2.4095890000e+00 -7.2096860000e+00  5.4808100000e-01  2.1520650000e+00 -6.2584350000e+00  1.5815670000e+00  1.5873310000e+00
+ENERGY -1.526540442504e+02
+FORCES -2.8401000000e-03 -9.9110000000e-04 -3.6936000000e-03  5.0150000000e-04 -2.1022000000e-03  3.2493000000e-03  2.3356000000e-03  3.0940000000e-03  4.4540000000e-04 -7.9010000000e-04 -1.6721000000e-03 -4.3903000000e-03  2.3391000000e-03  2.9464000000e-03  1.0432000000e-03 -1.5460000000e-03 -1.2750000000e-03  3.3460000000e-03
+
+JOB 89
+COORDS -1.1310520000e+00  1.7645980000e+00  7.2971590000e+00 -6.2070300000e-01  1.0929210000e+00  7.7495150000e+00 -2.0256820000e+00  1.4242270000e+00  7.2932630000e+00  1.1154180000e+00 -1.6894130000e+00 -7.2619290000e+00  1.3947930000e+00 -1.1291390000e+00 -7.9859970000e+00  1.4025400000e+00 -2.5672890000e+00 -7.5131770000e+00
+ENERGY -1.526540590025e+02
+FORCES -1.5671000000e-03 -4.1395000000e-03  1.7903000000e-03 -2.0810000000e-03  2.7443000000e-03 -1.8280000000e-03  3.6473000000e-03  1.3927000000e-03  3.6400000000e-05  2.3178000000e-03 -1.2780000000e-03 -3.9721000000e-03 -1.1419000000e-03 -2.2941000000e-03  2.9485000000e-03 -1.1751000000e-03  3.5745000000e-03  1.0250000000e-03
+
+JOB 0
+COORDS  4.8021000000e-02  2.1951900000e-01  1.3008680000e+00  2.4763500000e-01 -1.4797900000e-01  4.3986100000e-01  3.2810000000e-02  1.1661860000e+00  1.1600810000e+00  5.6060000000e-03 -2.7641800000e-01 -1.2184760000e+00 -7.5995700000e-01 -8.3052600000e-01 -1.3704900000e+00 -3.1406100000e-01  6.1608400000e-01 -1.3507080000e+00
+ENERGY -1.526541326354e+02
+FORCES  1.5930000000e-03 -3.7828000000e-03 -2.3795500000e-02 -1.2928000000e-03  2.4430000000e-03  7.5273000000e-03 -9.3410000000e-04 -2.3769000000e-03 -1.6839000000e-03 -5.7452000000e-03  4.2927000000e-03  1.3419600000e-02  4.1628000000e-03  3.5910000000e-03  1.3215000000e-03  2.2162000000e-03 -4.1670000000e-03  3.2110000000e-03
+
+JOB 1
+COORDS  5.1762300000e-01  1.2136320000e+00 -1.7495100000e-01  8.3492400000e-01  1.2561030000e+00 -1.0770310000e+00  2.9278000000e-01  2.9265400000e-01 -4.2748000000e-02 -4.6486700000e-01 -1.1283230000e+00  2.3353500000e-01 -1.3006710000e+00 -9.8179800000e-01  6.7647300000e-01 -6.4490300000e-01 -1.8293110000e+00 -3.9291300000e-01
+ENERGY -1.526573872159e+02
+FORCES -6.9991000000e-03 -2.0130200000e-02  1.1449000000e-03 -1.3358000000e-03 -1.9148000000e-03  2.0937000000e-03  2.2955000000e-03  7.6205000000e-03  3.6360000000e-04  2.1570000000e-03  1.2830600000e-02 -3.8425000000e-03  4.2988000000e-03 -2.1232000000e-03 -3.1442000000e-03 -4.1640000000e-04  3.7172000000e-03  3.3845000000e-03
+
+JOB 2
+COORDS  3.0670000000e-03 -8.6311500000e-01  9.1799600000e-01  5.6065800000e-01 -1.3830910000e+00  3.3924800000e-01 -5.9459000000e-01 -1.4993510000e+00  1.3107330000e+00 -6.0541000000e-02  9.5736800000e-01 -9.0814300000e-01  2.5011800000e-01  2.2068600000e-01 -3.8181400000e-01  6.8998300000e-01  1.1974310000e+00 -1.4515720000e+00
+ENERGY -1.526499072362e+02
+FORCES -5.0956000000e-03  4.4379000000e-03 -7.5331000000e-03 -3.5507000000e-03  1.0327200000e-02 -1.2796000000e-03  4.2827000000e-03  2.1222000000e-03 -1.4609000000e-03 -1.6780000000e-03 -8.0856000000e-03  1.2048700000e-02  7.6493000000e-03 -4.7474000000e-03 -5.6626000000e-03 -1.6079000000e-03 -4.0544000000e-03  3.8876000000e-03
+
+JOB 3
+COORDS  6.2389800000e-01  1.2100360000e+00 -3.6023000000e-02  3.8089500000e-01  2.9468900000e-01 -1.7502600000e-01 -2.0128100000e-01  1.6485720000e+00  1.7133400000e-01 -5.6246300000e-01 -1.1360010000e+00  8.9693000000e-02 -3.1329000000e-02 -1.9232550000e+00 -3.0140000000e-02 -1.1028970000e+00 -1.0887790000e+00 -6.9893400000e-01
+ENERGY -1.526563476706e+02
+FORCES -1.1131600000e-02 -1.7402600000e-02  4.0854000000e-03  4.0990000000e-03  5.6517000000e-03 -5.2780000000e-03  1.6797000000e-03 -6.5560000000e-04 -1.5757000000e-03  2.4550000000e-03  4.3331000000e-03 -1.1381000000e-03 -2.2771000000e-03  5.9513000000e-03 -5.0640000000e-04  5.1750000000e-03  2.1221000000e-03  4.4127000000e-03
+
+JOB 4
+COORDS -7.6759100000e-01 -3.5852000000e-02 -1.0038660000e+00 -1.5413900000e+00 -5.9880000000e-01 -9.8028900000e-01 -9.5607800000e-01  6.0247900000e-01 -1.6917900000e+00  7.9726200000e-01  5.8674000000e-02  1.0946550000e+00  1.6759100000e+00 -2.9656100000e-01  9.6042200000e-01  3.7006600000e-01 -2.9342000000e-02  2.4260500000e-01
+ENERGY -1.526594138767e+02
+FORCES  3.7745000000e-03  1.3883000000e-03  8.0271000000e-03  3.2092000000e-03  3.6795000000e-03 -1.8565000000e-03 -6.9450000000e-04 -4.1868000000e-03  2.7118000000e-03 -8.7083000000e-03 -6.1790000000e-04 -1.3451200000e-02 -3.3051000000e-03  8.8190000000e-04 -1.6453000000e-03  5.7242000000e-03 -1.1451000000e-03  6.2140000000e-03
+
+JOB 5
+COORDS  9.9751300000e-01  2.0500000000e-02  7.9944000000e-01  1.3629090000e+00 -4.1115200000e-01  1.5717060000e+00  1.7065290000e+00  2.8030000000e-03  1.5662200000e-01 -1.0695010000e+00  5.8722000000e-02 -8.4197100000e-01 -3.2707400000e-01 -2.1369900000e-01 -3.0269400000e-01 -1.6759150000e+00 -6.8104500000e-01 -8.0678600000e-01
+ENERGY -1.526578191666e+02
+FORCES -3.1821000000e-03 -4.2680000000e-04 -2.2002000000e-03 -7.6110000000e-04  2.4586000000e-03 -4.4249000000e-03 -5.9885000000e-03 -1.5907000000e-03  3.0856000000e-03  9.8135000000e-03 -1.8446000000e-03  1.1507100000e-02 -2.7363000000e-03 -2.8460000000e-04 -9.2698000000e-03  2.8544000000e-03  1.6880000000e-03  1.3022000000e-03
+
+JOB 6
+COORDS  6.7614000000e-02 -1.4016840000e+00  1.1941700000e-01 -1.4520200000e-01 -5.5863900000e-01  5.1968500000e-01  1.0158800000e-01 -1.2197040000e+00 -8.1971100000e-01 -7.6486000000e-02  1.3116590000e+00 -3.2265000000e-02 -5.7768600000e-01  1.4900240000e+00 -8.2801400000e-01  7.9841500000e-01  1.6525370000e+00 -2.1823400000e-01
+ENERGY -1.526569869086e+02
+FORCES -8.3320000000e-04  1.6688200000e-02 -3.0052000000e-03 -4.6090000000e-04 -6.5724000000e-03  2.6913000000e-03  1.7700000000e-05 -1.8365000000e-03  5.0660000000e-04  2.5484000000e-03 -4.4730000000e-03 -3.1458000000e-03  3.4393000000e-03 -2.0986000000e-03  3.1334000000e-03 -4.7113000000e-03 -1.7077000000e-03 -1.8020000000e-04
+
+JOB 7
+COORDS -6.5408200000e-01  1.1054750000e+00  3.9881000000e-02 -2.5687300000e-01  1.9716070000e+00 -5.1076000000e-02 -1.5510030000e+00  1.2185450000e+00 -2.7472900000e-01  7.1861100000e-01 -1.2081480000e+00  9.3880000000e-03  1.7824700000e-01 -1.3108440000e+00 -7.7399700000e-01  5.7043100000e-01 -3.0393900000e-01  2.8630000000e-01
+ENERGY -1.526569423700e+02
+FORCES -1.7480000000e-04 -4.7183000000e-03 -1.3957000000e-03 -1.5409000000e-03 -5.2516000000e-03  4.8130000000e-04  4.6962000000e-03  6.6340000000e-04  5.1510000000e-04 -1.0481900000e-02  1.3379000000e-02 -2.5339000000e-03  1.2769000000e-03 -2.2717000000e-03  9.3220000000e-04  6.2246000000e-03 -1.8008000000e-03  2.0010000000e-03
+
+JOB 8
+COORDS  3.2244700000e-01  7.2553300000e-01  1.1275020000e+00 -6.1376700000e-01  6.5380000000e-01  1.3134850000e+00  6.7892200000e-01 -1.3301200000e-01  1.3556650000e+00 -2.3370900000e-01 -6.7351000000e-01 -1.1943530000e+00 -1.1117770000e+00 -1.0500020000e+00 -1.2533610000e+00 -2.6314600000e-01 -1.1664400000e-01 -4.1636500000e-01
+ENERGY -1.526552268523e+02
+FORCES  3.5400000000e-04 -4.9672000000e-03  2.2140000000e-03  4.9212000000e-03 -2.1515000000e-03 -7.5106000000e-03 -3.9515000000e-03  4.8552000000e-03 -3.5387000000e-03  1.4829000000e-03  7.9660000000e-03  8.1361000000e-03  3.1096000000e-03  2.6241000000e-03  2.9855000000e-03 -5.9161000000e-03 -8.3267000000e-03 -2.2863000000e-03
+
+JOB 9
+COORDS -2.8312200000e-01 -1.2149790000e+00  6.5558000000e-01 -9.6462900000e-01 -1.6043960000e+00  1.0773500000e-01 -2.2541400000e-01 -3.0711600000e-01  3.5777600000e-01  2.5860100000e-01  1.1467300000e+00 -5.8781800000e-01  7.9929400000e-01  1.6857130000e+00 -1.0428000000e-02  7.0219300000e-01  1.1833320000e+00 -1.4352370000e+00
+ENERGY -1.526596147052e+02
+FORCES  6.3760000000e-04  1.2011400000e-02 -8.9923000000e-03  2.2062000000e-03  1.1758000000e-03  8.6510000000e-04 -1.7589000000e-03 -5.5820000000e-03  7.2908000000e-03  3.3594000000e-03 -5.4939000000e-03 -3.6880000000e-04 -2.7319000000e-03 -3.8092000000e-03 -2.9117000000e-03 -1.7124000000e-03  1.6979000000e-03  4.1169000000e-03
+
+JOB 10
+COORDS  3.7342800000e-01 -5.7654900000e-01  1.1411750000e+00 -3.9662000000e-01 -1.1262390000e+00  1.2864320000e+00  1.0602550000e+00 -9.8068900000e-01  1.6714310000e+00 -4.1215300000e-01  6.7883900000e-01 -1.1940960000e+00  1.8222800000e-01  1.7850600000e-01 -1.7532110000e+00 -2.4336500000e-01  3.5126700000e-01 -3.1067100000e-01
+ENERGY -1.526590862701e+02
+FORCES  1.1114000000e-03 -1.0630000000e-04 -1.4951000000e-03  4.3067000000e-03  3.7486000000e-03 -1.9708000000e-03 -4.3683000000e-03  1.8550000000e-04 -1.9187000000e-03  7.8304000000e-03 -6.3614000000e-03  8.8750000000e-03 -1.8736000000e-03  1.4946000000e-03  5.5990000000e-04 -7.0067000000e-03  1.0390000000e-03 -4.0502000000e-03
+
+JOB 11
+COORDS -3.3189100000e-01 -1.2932100000e+00  7.4842000000e-02 -1.2212260000e+00 -1.6291090000e+00 -3.6901000000e-02  9.4821000000e-02 -1.9298630000e+00  6.4827100000e-01  3.2886500000e-01  1.3950490000e+00 -1.2347100000e-01  1.1557660000e+00  1.3735530000e+00  3.5819700000e-01  3.4370000000e-02  4.8435700000e-01 -1.3546000000e-01
+ENERGY -1.526603002279e+02
+FORCES  1.0630000000e-04  1.6347000000e-03  2.0427000000e-03  4.7883000000e-03  9.0300000000e-04  1.1339000000e-03 -2.9265000000e-03  2.2086000000e-03 -2.7978000000e-03 -6.8250000000e-04 -1.3337400000e-02  2.3432000000e-03 -2.0259000000e-03 -1.2390000000e-04 -1.0314000000e-03  7.4030000000e-04  8.7150000000e-03 -1.6906000000e-03
+
+JOB 12
+COORDS -1.2110890000e+00  4.7209700000e-01  3.3793100000e-01 -1.6166900000e+00  6.3000000000e-01  1.1904490000e+00 -1.8951030000e+00  4.5127000000e-02 -1.7787300000e-01  1.3260790000e+00 -4.6940700000e-01 -3.9392000000e-01  1.0554790000e+00 -8.8509000000e-01  4.2474600000e-01  6.3484600000e-01  1.6593000000e-01 -5.8040000000e-01
+ENERGY -1.526582981755e+02
+FORCES -7.4940000000e-04 -1.5172000000e-03  8.6690000000e-04  1.4846000000e-03 -2.0407000000e-03 -3.9576000000e-03  3.7350000000e-03  2.1687000000e-03  2.6355000000e-03 -1.1961600000e-02  3.9777000000e-03  6.3854000000e-03  3.2935000000e-03 -1.2156000000e-03 -1.2677000000e-03  4.1978000000e-03 -1.3730000000e-03 -4.6625000000e-03
+
+JOB 13
+COORDS -4.0089000000e-01  1.0502440000e+00 -7.0831100000e-01  2.1058900000e-01  1.2586950000e+00 -1.4146200000e+00 -1.0147610000e+00  1.7846030000e+00 -6.9779800000e-01  3.5685300000e-01 -1.1369560000e+00  7.8648500000e-01  1.2846070000e+00 -1.3720600000e+00  8.0164800000e-01  2.9659900000e-01 -4.3976600000e-01  1.3339500000e-01
+ENERGY -1.526582613590e+02
+FORCES -2.2565000000e-03  6.9540000000e-04  2.6549000000e-03 -2.1606000000e-03 -2.3019000000e-03  4.6961000000e-03  3.6316000000e-03 -2.2335000000e-03 -2.1379000000e-03 -2.2875000000e-03  8.8117000000e-03 -5.0335000000e-03 -2.9328000000e-03  2.2276000000e-03 -1.4906000000e-03  6.0058000000e-03 -7.1992000000e-03  1.3109000000e-03
+
+JOB 14
+COORDS -3.8532400000e-01  7.2711400000e-01  1.1488760000e+00 -1.9051100000e-01  5.8507800000e-01  2.0752160000e+00  2.1386900000e-01  1.4214300000e-01  6.8518700000e-01  2.8167700000e-01 -6.7539600000e-01 -1.1375790000e+00  7.1253000000e-01 -1.4084500000e-01 -1.8045520000e+00  8.5031600000e-01 -1.4388840000e+00 -1.0377350000e+00
+ENERGY -1.526574635364e+02
+FORCES  2.7146000000e-03 -5.6003000000e-03 -6.9317000000e-03  2.8030000000e-04 -1.2117000000e-03 -4.4452000000e-03  4.7110000000e-04  3.6608000000e-03  9.3589000000e-03  7.2870000000e-04  1.2274000000e-03 -3.6498000000e-03 -1.6458000000e-03 -3.3347000000e-03  3.6400000000e-03 -2.5488000000e-03  5.2584000000e-03  2.0278000000e-03
+
+JOB 15
+COORDS  9.4770000000e-02  1.1328780000e+00 -9.0589200000e-01  2.5535100000e-01  1.8404540000e+00 -2.8156700000e-01  4.2021500000e-01  3.4701000000e-01 -4.6688200000e-01 -9.8518000000e-02 -1.1551390000e+00  8.9667800000e-01 -8.3170900000e-01 -5.4515800000e-01  8.1552500000e-01  1.9033500000e-01 -1.3043130000e+00 -3.6230000000e-03
+ENERGY -1.526522196355e+02
+FORCES  4.2486000000e-03 -1.6106000000e-03  8.3056000000e-03 -1.8588000000e-03 -2.7481000000e-03 -2.6807000000e-03 -4.8746000000e-03 -4.7630000000e-03 -4.4295000000e-03 -5.9031000000e-03  1.5379000000e-03 -5.2893000000e-03  6.1167000000e-03 -1.7506000000e-03  8.8160000000e-04  2.2712000000e-03  9.3345000000e-03  3.2123000000e-03
+
+JOB 16
+COORDS  1.1163390000e+00  4.7046000000e-01  7.6950200000e-01  2.0042260000e+00  1.1530600000e-01  7.2763000000e-01  6.4052100000e-01  9.1460000000e-03  7.8836000000e-02 -1.1115010000e+00 -3.8070700000e-01 -7.7415900000e-01 -1.6342500000e+00 -1.2815300000e-01 -1.3119000000e-02 -1.0938940000e+00 -1.3373440000e+00 -7.4644500000e-01
+ENERGY -1.526602773366e+02
+FORCES -4.8059000000e-03 -2.8569000000e-03 -7.2756000000e-03 -3.9979000000e-03 -9.0200000000e-05 -1.0948000000e-03  8.0716000000e-03  5.7440000000e-04  7.5535000000e-03 -4.7489000000e-03 -7.3080000000e-04  4.4505000000e-03  3.1303000000e-03 -2.2190000000e-03 -4.3679000000e-03  2.3507000000e-03  5.3225000000e-03  7.3430000000e-04
+
+JOB 17
+COORDS  8.3696300000e-01  9.2326200000e-01  7.1390600000e-01  6.1002500000e-01  1.2517920000e+00  1.5838480000e+00  7.1573000000e-02  4.1720800000e-01  4.4129300000e-01 -7.8009700000e-01 -9.4686800000e-01 -6.8503900000e-01 -5.5146000000e-02 -8.0422000000e-01 -1.2935850000e+00 -1.5420310000e+00 -5.7290300000e-01 -1.1275760000e+00
+ENERGY -1.526609896237e+02
+FORCES -7.2708000000e-03 -6.4075000000e-03 -8.1290000000e-04 -6.0450000000e-04 -1.5852000000e-03 -3.1151000000e-03  6.9308000000e-03  8.0743000000e-03  2.2079000000e-03  1.3930000000e-03 -6.1800000000e-05 -5.8440000000e-03 -4.8083000000e-03  7.7050000000e-04  4.5657000000e-03  4.3598000000e-03 -7.9050000000e-04  2.9984000000e-03
+
+JOB 18
+COORDS  1.2102340000e+00 -6.2428300000e-01 -1.9244100000e-01  1.7909750000e+00 -3.9140600000e-01 -9.1683000000e-01  9.8279800000e-01 -1.5402560000e+00 -3.5212700000e-01 -1.2720700000e+00  7.2550600000e-01  2.6596500000e-01 -3.2219900000e-01  6.1098900000e-01  2.3658000000e-01 -1.6244400000e+00 -1.2008600000e-01 -1.1600000000e-02
+ENERGY -1.526591616847e+02
+FORCES -9.0920000000e-04 -2.6168000000e-03 -3.1036000000e-03 -3.2504000000e-03 -1.3854000000e-03  3.4555000000e-03  7.8060000000e-04  4.5264000000e-03  6.5800000000e-05  9.8406000000e-03 -7.9306000000e-03 -2.5722000000e-03 -6.0710000000e-03  5.5721000000e-03  1.3793000000e-03 -3.9060000000e-04  1.8343000000e-03  7.7520000000e-04
+
+JOB 19
+COORDS -2.8143400000e-01  4.6242000000e-01  1.3870920000e+00 -1.0600410000e+00  5.5226400000e-01  8.3760900000e-01  4.5197000000e-01  5.1145200000e-01  7.7394700000e-01  2.8607300000e-01 -4.8972400000e-01 -1.2450680000e+00  4.4479200000e-01  3.7782100000e-01 -1.6170980000e+00  1.5154800000e-01 -1.0558290000e+00 -2.0051070000e+00
+ENERGY -1.526547664618e+02
+FORCES  3.3150000000e-04 -5.5093000000e-03 -1.0815200000e-02  9.7120000000e-04  2.0830000000e-03  3.2912000000e-03 -3.9630000000e-04  4.5146000000e-03  2.5084000000e-03  2.3800000000e-05 -6.7020000000e-04 -3.2029000000e-03 -9.6700000000e-04 -3.6039000000e-03  4.8022000000e-03  3.6900000000e-05  3.1859000000e-03  3.4163000000e-03
+
+JOB 20
+COORDS  4.9484800000e-01  7.3848100000e-01 -1.1669750000e+00 -3.7230000000e-03  1.3023000000e-01 -6.2136700000e-01  1.1027430000e+00  1.8158400000e-01 -1.6533510000e+00 -4.8081100000e-01 -6.2361800000e-01  1.1344880000e+00 -5.5031000000e-02 -1.4279640000e+00  1.4310890000e+00 -1.3693890000e+00 -6.7874100000e-01  1.4860890000e+00
+ENERGY -1.526596896274e+02
+FORCES -2.4673000000e-03 -6.4798000000e-03  7.2678000000e-03  2.6200000000e-03  3.6160000000e-03 -8.8693000000e-03 -1.8938000000e-03  1.0728000000e-03  2.3177000000e-03 -3.2990000000e-04 -1.5560000000e-03  2.6130000000e-03 -2.6149000000e-03  3.6565000000e-03 -1.7173000000e-03  4.6861000000e-03 -3.0950000000e-04 -1.6119000000e-03
+
+JOB 21
+COORDS -1.2858820000e+00  5.3950400000e-01  1.8669600000e-01 -1.2890240000e+00  1.4917470000e+00  8.9455000000e-02 -1.8759530000e+00  2.2631500000e-01 -4.9884100000e-01  1.3690590000e+00 -5.4820200000e-01 -1.7773900000e-01  1.1808500000e+00 -1.3852210000e+00  2.4677000000e-01  5.7266100000e-01 -3.1840000000e-02 -5.3831000000e-02
+ENERGY -1.526612459920e+02
+FORCES -3.0980000000e-03  1.2654000000e-03 -3.3360000000e-03  1.0303000000e-03 -5.4581000000e-03 -2.9180000000e-04  2.8173000000e-03  2.0614000000e-03  3.6363000000e-03 -1.1353400000e-02  1.6341000000e-03  3.8064000000e-03  8.8640000000e-04  1.8520000000e-03 -1.7267000000e-03  9.7175000000e-03 -1.3548000000e-03 -2.0882000000e-03
+
+JOB 22
+COORDS -9.3070000000e-01  6.4603800000e-01  7.8901700000e-01 -6.5672400000e-01  1.5511900000e+00  9.3689300000e-01 -1.7737250000e+00  5.7428800000e-01  1.2366700000e+00  9.5109700000e-01 -6.7871500000e-01 -8.8989900000e-01  6.8185300000e-01 -1.9106100000e-01 -1.1148200000e-01  1.4594870000e+00 -1.4143120000e+00 -5.4833300000e-01
+ENERGY -1.526579848194e+02
+FORCES -3.9458000000e-03  3.4240000000e-04  2.4840000000e-04  2.2300000000e-05 -5.4444000000e-03 -8.2880000000e-04  3.5509000000e-03  1.7767000000e-03 -1.6576000000e-03 -5.0549000000e-03  1.3585000000e-03  7.0218000000e-03  7.6962000000e-03 -5.4610000000e-04 -4.1553000000e-03 -2.2686000000e-03  2.5129000000e-03 -6.2850000000e-04
+
+JOB 23
+COORDS  1.3416220000e+00  7.5055000000e-02  5.1516200000e-01  1.0456530000e+00  4.7294700000e-01  1.3338910000e+00  1.4649720000e+00 -8.4984100000e-01  7.2866500000e-01 -1.3911490000e+00 -2.4839000000e-02 -5.5360200000e-01 -5.4277400000e-01 -5.9030000000e-02 -1.1164800000e-01 -1.2189560000e+00 -3.6791800000e-01 -1.4304590000e+00
+ENERGY -1.526597657463e+02
+FORCES  2.9537000000e-03 -8.0600000000e-04  4.9058000000e-03 -7.0210000000e-04 -3.3257000000e-03 -5.8307000000e-03 -2.8621000000e-03  5.1060000000e-03 -2.0328000000e-03  1.1483600000e-02  2.4620000000e-04 -5.4390000000e-04 -1.0004300000e-02 -1.6555000000e-03  7.4910000000e-04 -8.6890000000e-04  4.3500000000e-04  2.7524000000e-03
+
+JOB 24
+COORDS  9.0616500000e-01 -1.0354580000e+00 -2.2921300000e-01  1.2654870000e+00 -1.1996360000e+00 -1.1010870000e+00  1.6006150000e+00 -1.3060470000e+00  3.7141400000e-01 -9.9164600000e-01  1.1112530000e+00  2.0351600000e-01 -1.4501140000e+00  3.2914300000e-01  5.1067100000e-01 -1.1292000000e-01  1.0359680000e+00  5.7554400000e-01
+ENERGY -1.526557681787e+02
+FORCES  2.2613000000e-03 -9.2980000000e-04 -4.2422000000e-03 -9.4230000000e-04 -4.6000000000e-06  4.4123000000e-03 -3.9683000000e-03  2.9609000000e-03 -2.0227000000e-03  6.6372000000e-03 -1.0163100000e-02  1.5980000000e-04 -9.2690000000e-04  3.8735000000e-03 -8.0000000000e-06 -3.0610000000e-03  4.2630000000e-03  1.7007000000e-03
+
+JOB 25
+COORDS -1.2967100000e-01  1.2387300000e+00 -6.9335500000e-01  3.8957400000e-01  1.0785590000e+00 -1.4813660000e+00 -1.0210150000e+00  1.3712620000e+00 -1.0161150000e+00  1.1093800000e-01 -1.2460750000e+00  8.0324100000e-01 -3.2084000000e-02 -6.7904500000e-01  4.5445000000e-02  9.5782900000e-01 -1.6599770000e+00  6.3683400000e-01
+ENERGY -1.526576510708e+02
+FORCES -1.6026000000e-03  3.7918000000e-03 -3.0379000000e-03 -2.8777000000e-03 -2.0894000000e-03  5.2465000000e-03  5.0293000000e-03 -2.0240000000e-03  1.6072000000e-03  1.6568000000e-03  8.0923000000e-03 -5.0497000000e-03  5.4850000000e-04 -9.8256000000e-03  1.5703000000e-03 -2.7542000000e-03  2.0549000000e-03 -3.3630000000e-04
+
+JOB 26
+COORDS -2.7128600000e-01  1.3053300000e+00  5.1501300000e-01 -1.4164300000e-01  1.4862900000e+00  1.4459690000e+00  5.3144300000e-01  1.6157990000e+00  9.6125000000e-02  1.9381700000e-01 -1.3449230000e+00 -6.1139500000e-01  1.0528770000e+00 -1.5578180000e+00 -2.4680800000e-01 -2.8328800000e-01 -9.4548000000e-01  1.1596300000e-01
+ENERGY -1.526567515105e+02
+FORCES  5.1310000000e-03  2.5962000000e-03 -2.1820000000e-03 -1.9420000000e-04 -3.0571000000e-03 -4.4091000000e-03 -3.3231000000e-03 -3.3710000000e-04  3.4917000000e-03 -7.2890000000e-04  6.6274000000e-03  6.4369000000e-03 -2.5656000000e-03  1.4541000000e-03 -1.4577000000e-03  1.6809000000e-03 -7.2836000000e-03 -1.8797000000e-03
+
+JOB 27
+COORDS -1.0577260000e+00  8.6579100000e-01  4.7255400000e-01 -1.1340980000e+00  1.0118640000e+00  1.4154550000e+00 -1.5775850000e+00  7.8939000000e-02  3.0871900000e-01  1.0788870000e+00 -8.6877000000e-01 -4.5083900000e-01  1.7813180000e+00 -9.5461200000e-01 -1.0953960000e+00  5.1999300000e-01 -1.7265600000e-01 -7.9623100000e-01
+ENERGY -1.526576471998e+02
+FORCES  2.5550000000e-04 -3.9876000000e-03  5.9952000000e-03 -1.2219000000e-03 -2.7060000000e-04 -3.6953000000e-03  2.9564000000e-03  4.0318000000e-03 -8.9730000000e-04 -1.7549000000e-03  5.6780000000e-03 -1.0736000000e-03 -3.0941000000e-03  1.3855000000e-03  2.5944000000e-03  2.8590000000e-03 -6.8372000000e-03 -2.9234000000e-03
+
+JOB 28
+COORDS  4.3037500000e-01  1.2301040000e+00  6.5694600000e-01 -3.0550000000e-01  9.6096300000e-01  1.2067490000e+00  1.1284780000e+00  1.4412600000e+00  1.2768630000e+00 -3.7238400000e-01 -1.2655960000e+00 -7.0480500000e-01 -1.2567410000e+00 -1.5479080000e+00 -9.3813900000e-01 -3.9951900000e-01 -3.1116000000e-01 -7.7224700000e-01
+ENERGY -1.526573846653e+02
+FORCES  2.1107000000e-03 -2.7481000000e-03  5.4994000000e-03  2.2775000000e-03  1.9189000000e-03 -3.9790000000e-03 -3.4764000000e-03 -3.6180000000e-04 -1.6281000000e-03  4.1330000000e-04  5.3569000000e-03 -1.1925000000e-03  3.2658000000e-03  2.1789000000e-03  2.0801000000e-03 -4.5909000000e-03 -6.3448000000e-03 -7.7990000000e-04
+
+JOB 29
+COORDS  1.7813700000e-01  1.4926150000e+00  3.5919700000e-01  5.9280000000e-03  5.5897300000e-01  4.8120800000e-01  2.8796300000e-01  1.5948570000e+00 -5.8616900000e-01 -1.8233000000e-01 -1.4070760000e+00 -2.5938000000e-01  5.4250200000e-01 -1.9945470000e+00 -4.7322100000e-01 -7.6788300000e-01 -1.4636630000e+00 -1.0144670000e+00
+ENERGY -1.526602295954e+02
+FORCES -3.4710000000e-04 -9.5175000000e-03 -4.2801000000e-03  2.0390000000e-04  8.3688000000e-03  2.4121000000e-03 -4.7540000000e-04  8.5390000000e-04  2.3090000000e-03  9.5490000000e-04 -2.8978000000e-03 -3.7034000000e-03 -3.8961000000e-03  2.5774000000e-03  1.1420000000e-04  3.5599000000e-03  6.1510000000e-04  3.1482000000e-03
+
+JOB 30
+COORDS  1.0884040000e+00  1.1104580000e+00 -2.0380900000e-01  7.2939700000e-01  2.4529200000e-01 -4.0086800000e-01  4.4136000000e-01  1.5124480000e+00  3.7582000000e-01 -9.6543400000e-01 -1.0776920000e+00  1.6279300000e-01 -1.2724700000e+00 -1.3820030000e+00  1.0168170000e+00 -1.7639050000e+00 -8.3993800000e-01 -3.0853400000e-01
+ENERGY -1.526595691530e+02
+FORCES -7.6484000000e-03 -6.3477000000e-03  3.1380000000e-03  4.9489000000e-03  5.2142000000e-03 -2.5890000000e-03  2.4395000000e-03  9.0110000000e-04 -1.5189000000e-03 -4.1318000000e-03 -1.0466000000e-03  2.3700000000e-03  4.2100000000e-04  1.8273000000e-03 -4.1030000000e-03  3.9708000000e-03 -5.4830000000e-04  2.7028000000e-03
+
+JOB 31
+COORDS -7.3711000000e-02  1.3459000000e-02 -1.4337820000e+00 -8.4053300000e-01 -2.3786500000e-01 -1.9486140000e+00  6.5994900000e-01 -6.0848000000e-02 -2.0440710000e+00  1.3591300000e-01  1.9786000000e-02  1.5208980000e+00 -7.3178300000e-01  6.3187000000e-02  1.9227090000e+00 -2.5945000000e-02 -3.0345400000e-01  6.3458500000e-01
+ENERGY -1.526598035269e+02
+FORCES  1.4135000000e-03  2.8520000000e-04 -4.7564000000e-03  3.6502000000e-03  1.0084000000e-03  2.7762000000e-03 -4.2288000000e-03  1.8330000000e-04  1.9660000000e-03 -3.2368000000e-03  8.3700000000e-05 -7.7945000000e-03  2.4902000000e-03 -3.1850000000e-04 -1.7863000000e-03 -8.8200000000e-05 -1.2421000000e-03  9.5951000000e-03
+
+JOB 32
+COORDS -1.4611300000e-01 -1.4625820000e+00 -2.5872000000e-01  5.2839500000e-01 -2.0427360000e+00  9.4399000000e-02  1.7735400000e-01 -1.2183550000e+00 -1.1258730000e+00  5.8666000000e-02  1.5298120000e+00  2.9588700000e-01  9.9757700000e-01  1.5166760000e+00  1.1012700000e-01 -1.9246400000e-01  6.0671700000e-01  3.2846700000e-01
+ENERGY -1.526597819354e+02
+FORCES  3.6577000000e-03 -4.0634000000e-03 -2.9925000000e-03 -2.7544000000e-03  3.3245000000e-03 -2.2437000000e-03 -8.0350000000e-04 -1.0000000000e-06  5.6723000000e-03  1.6422000000e-03 -8.6194000000e-03  2.3890000000e-04 -2.8734000000e-03  4.5700000000e-05 -1.3630000000e-04  1.1314000000e-03  9.3136000000e-03 -5.3880000000e-04
+
+JOB 33
+COORDS -6.0883300000e-01  1.3818200000e-01  1.3250620000e+00 -9.1185700000e-01  2.4977800000e-01  2.2261470000e+00 -1.3378550000e+00  4.4644100000e-01  7.8679200000e-01  6.2978000000e-01 -1.2696300000e-01 -1.3970240000e+00  6.2348200000e-01  5.2460000000e-02 -4.5681100000e-01  1.2284470000e+00 -8.6724700000e-01 -1.4960660000e+00
+ENERGY -1.526604480053e+02
+FORCES -4.6709000000e-03  1.1971000000e-03  2.1150000000e-03 -3.1500000000e-05 -5.8670000000e-04 -4.1396000000e-03  4.3629000000e-03 -8.4350000000e-04  3.4056000000e-03  1.6688000000e-03 -2.5798000000e-03  6.7527000000e-03  4.0950000000e-04  2.5400000000e-04 -8.3716000000e-03 -1.7388000000e-03  2.5589000000e-03  2.3780000000e-04
+
+JOB 34
+COORDS  2.4602200000e-01  3.9444200000e-01  1.5204850000e+00  1.0171800000e+00  3.6888300000e-01  9.5401000000e-01 -1.1728700000e-01 -4.8976400000e-01  1.4713160000e+00 -3.0767900000e-01 -3.3493100000e-01 -1.4290030000e+00  4.2376400000e-01 -9.4624900000e-01 -1.5156790000e+00 -3.5178100000e-01  1.0820700000e-01 -2.2763010000e+00
+ENERGY -1.526531347607e+02
+FORCES -1.0499000000e-03 -3.7018000000e-03 -8.0508000000e-03 -5.1300000000e-04 -3.3130000000e-04  3.6469000000e-03  2.4110000000e-03  2.3389000000e-03  2.2692000000e-03  1.3371000000e-03  5.4250000000e-04 -4.2533000000e-03 -2.6857000000e-03  3.1705000000e-03  2.5278000000e-03  5.0050000000e-04 -2.0189000000e-03  3.8602000000e-03
+
+JOB 35
+COORDS  8.6827200000e-01  1.3212030000e+00  2.2007000000e-02  2.9058000000e-01  6.1772700000e-01  3.1802600000e-01  1.4109930000e+00  1.5228200000e+00  7.8426500000e-01 -8.5576100000e-01 -1.2746400000e+00 -1.3730500000e-01 -4.0186600000e-01 -1.9570360000e+00  3.5721100000e-01 -1.5294330000e+00 -9.5223100000e-01  4.6140200000e-01
+ENERGY -1.526572025619e+02
+FORCES -2.0052000000e-03 -5.3607000000e-03  1.7022000000e-03  3.4042000000e-03  7.9258000000e-03  3.1831000000e-03 -2.4365000000e-03 -1.6972000000e-03 -2.5879000000e-03 -2.8087000000e-03 -5.7326000000e-03  1.7923000000e-03 -2.0396000000e-03  4.4245000000e-03 -1.7492000000e-03  5.8857000000e-03  4.4020000000e-04 -2.3405000000e-03
+
+JOB 36
+COORDS -1.6995400000e-01  1.5199950000e+00  1.3287000000e-01 -4.1658700000e-01  2.3774600000e+00  4.7950700000e-01  5.9550300000e-01  1.6937290000e+00 -4.1496500000e-01  1.8047500000e-01 -1.6056970000e+00 -1.6427100000e-01  2.0017000000e-02 -1.8903320000e+00  7.3543400000e-01 -4.0254000000e-01 -8.5644700000e-01 -2.8653600000e-01
+ENERGY -1.526589738341e+02
+FORCES  3.1155000000e-03  4.8510000000e-03 -4.5500000000e-04  1.7578000000e-03 -3.4908000000e-03 -1.3960000000e-03 -4.2473000000e-03  4.5800000000e-05  2.2228000000e-03 -3.5328000000e-03  5.2377000000e-03  4.4234000000e-03  6.0200000000e-04  1.4600000000e-05 -3.1444000000e-03  2.3047000000e-03 -6.6583000000e-03 -1.6508000000e-03
+
+JOB 37
+COORDS -1.2772060000e+00 -3.3088400000e-01 -8.8565600000e-01 -1.7706520000e+00 -9.5114700000e-01 -1.4223280000e+00 -3.7392100000e-01 -6.4515500000e-01 -9.2492600000e-01  1.2994040000e+00  3.7491000000e-01  8.8161100000e-01  8.0568900000e-01  1.1823010000e+00  1.0251250000e+00  8.9548000000e-01 -2.6147500000e-01  1.4716030000e+00
+ENERGY -1.526583701182e+02
+FORCES  3.4134000000e-03 -2.5829000000e-03 -2.4784000000e-03  2.5460000000e-03  2.1675000000e-03  2.4132000000e-03 -6.7064000000e-03 -8.4100000000e-04 -1.0732000000e-03 -4.8625000000e-03  2.5992000000e-03  4.3229000000e-03  3.2926000000e-03 -3.2140000000e-03  4.3100000000e-05  2.3168000000e-03  1.8712000000e-03 -3.2276000000e-03
+
+JOB 38
+COORDS -5.4034100000e-01 -4.2957900000e-01  1.4310900000e+00 -1.3525030000e+00  5.6035000000e-02  1.5753270000e+00  1.2147000000e-01  5.8793000000e-02  1.9207130000e+00  6.0151200000e-01  3.9108400000e-01 -1.4250300000e+00 -2.8288200000e-01  7.5689000000e-02 -1.2390060000e+00  6.6546800000e-01  3.7684500000e-01 -2.3799840000e+00
+ENERGY -1.526561521784e+02
+FORCES  2.1008000000e-03  4.4514000000e-03  3.8101000000e-03  3.2410000000e-03 -2.1241000000e-03 -2.1080000000e-03 -3.7232000000e-03 -2.3589000000e-03 -6.5300000000e-04 -3.9515000000e-03 -2.8274000000e-03 -7.0490000000e-04  2.8625000000e-03  3.0067000000e-03 -4.4772000000e-03 -5.2950000000e-04 -1.4770000000e-04  4.1330000000e-03
+
+JOB 39
+COORDS -9.8859900000e-01 -1.4079240000e+00  2.2915600000e-01 -5.0647500000e-01 -1.3935270000e+00  1.0559460000e+00 -5.1195100000e-01 -8.0106200000e-01 -3.3719900000e-01  8.7151100000e-01  1.3319570000e+00 -2.4963300000e-01  1.5147350000e+00  1.4525620000e+00 -9.4816600000e-01  1.2192650000e+00  1.8355240000e+00  4.8638300000e-01
+ENERGY -1.526584899170e+02
+FORCES  5.3956000000e-03  5.7775000000e-03  8.2720000000e-04 -2.1989000000e-03 -1.1905000000e-03 -1.9445000000e-03 -3.5785000000e-03 -6.1002000000e-03  4.4680000000e-04  4.3568000000e-03  4.6205000000e-03  8.7750000000e-04 -2.9994000000e-03 -8.9410000000e-04  3.2234000000e-03 -9.7570000000e-04 -2.2133000000e-03 -3.4304000000e-03
+
+JOB 40
+COORDS  1.0531590000e+00 -1.1907050000e+00  3.8320600000e-01  1.9590420000e+00 -1.2454740000e+00  6.8752400000e-01  5.8555200000e-01 -1.8447790000e+00  9.0259300000e-01 -1.1123940000e+00  1.2424380000e+00 -4.9027700000e-01 -1.8050600000e-01  1.0720380000e+00 -3.5324000000e-01 -1.4833740000e+00  1.2709610000e+00  3.9164800000e-01
+ENERGY -1.526572376761e+02
+FORCES  1.3104000000e-03 -5.2663000000e-03  3.0881000000e-03 -4.2099000000e-03  7.3420000000e-04 -1.2847000000e-03  2.6116000000e-03  2.8780000000e-03 -1.6942000000e-03  4.3665000000e-03 -3.1982000000e-03  4.3986000000e-03 -4.6519000000e-03  4.6790000000e-03 -1.4162000000e-03  5.7320000000e-04  1.7340000000e-04 -3.0915000000e-03
+
+JOB 41
+COORDS  1.4708740000e+00  8.2726900000e-01 -3.7204900000e-01  9.6254700000e-01  7.6984400000e-01 -1.1810840000e+00  1.9245950000e+00 -1.3529000000e-02 -3.1351000000e-01 -1.4704240000e+00 -7.4419000000e-01  4.6697100000e-01 -2.1476940000e+00 -1.3108910000e+00  9.7665000000e-02 -7.2624200000e-01 -8.4099800000e-01 -1.2721100000e-01
+ENERGY -1.526529915363e+02
+FORCES  1.4420000000e-03 -1.2694000000e-03 -2.7696000000e-03  1.5262000000e-03 -1.6255000000e-03  4.2828000000e-03 -3.5605000000e-03  3.2048000000e-03 -5.2030000000e-04  1.0718000000e-03 -1.8434000000e-03 -2.9443000000e-03  3.2440000000e-03  2.6988000000e-03  1.3314000000e-03 -3.7237000000e-03 -1.1652000000e-03  6.2000000000e-04
+
+JOB 42
+COORDS  2.9393100000e-01  1.5790840000e+00 -4.7246900000e-01  2.7851500000e-01  1.9894770000e+00 -1.3370920000e+00  1.2097360000e+00  1.6303480000e+00 -1.9878200000e-01 -3.5704200000e-01 -1.6617490000e+00  5.5053200000e-01 -9.8503800000e-01 -9.9603800000e-01  2.7002700000e-01  4.6163000000e-01 -1.4160810000e+00  1.1965600000e-01
+ENERGY -1.526571990663e+02
+FORCES  4.0489000000e-03  4.1128000000e-03 -2.0293000000e-03  1.2700000000e-04 -2.1355000000e-03  3.8537000000e-03 -3.9478000000e-03 -1.0082000000e-03 -1.7778000000e-03  6.6940000000e-04  6.7855000000e-03 -3.6319000000e-03  6.5540000000e-04 -5.0125000000e-03  1.5324000000e-03 -1.5529000000e-03 -2.7420000000e-03  2.0530000000e-03
+
+JOB 43
+COORDS  1.5126560000e+00  2.1278000000e-01 -7.8420600000e-01  8.3866400000e-01  8.6915900000e-01 -9.6065500000e-01  1.7005370000e+00 -1.7414500000e-01 -1.6393210000e+00 -1.4963920000e+00 -2.7928700000e-01  8.9630400000e-01 -2.1426770000e+00  1.7435100000e-01  3.5523100000e-01 -6.5599900000e-01  9.3062000000e-02  6.2923100000e-01
+ENERGY -1.526545336736e+02
+FORCES  1.6030000000e-04 -5.4000000000e-05 -6.5999000000e-03  7.7270000000e-04 -4.1140000000e-03  3.4966000000e-03 -4.6250000000e-04  2.3943000000e-03  3.6474000000e-03  2.4430000000e-03  1.8467000000e-03 -2.7286000000e-03  3.2443000000e-03 -1.5296000000e-03  1.6438000000e-03 -6.1579000000e-03  1.4565000000e-03  5.4060000000e-04
+
+JOB 44
+COORDS -3.3767800000e-01 -1.6474240000e+00  3.1049100000e-01 -9.8895200000e-01 -2.3422290000e+00  2.1395000000e-01 -6.7600100000e-01 -1.0979110000e+00  1.0174600000e+00  4.3432500000e-01  1.6983760000e+00 -3.6634600000e-01 -4.6484300000e-01  1.5297400000e+00 -6.4793300000e-01  5.7804900000e-01  1.0874370000e+00  3.5637700000e-01
+ENERGY -1.526539359722e+02
+FORCES -4.3760000000e-03 -2.8908000000e-03  2.3852000000e-03  2.7906000000e-03  3.2287000000e-03  4.0850000000e-04  2.5461000000e-03 -2.7960000000e-04 -3.9500000000e-03 -2.3875000000e-03 -5.7149000000e-03  1.9300000000e-04  2.9707000000e-03  1.9884000000e-03  1.7957000000e-03 -1.5438000000e-03  3.6682000000e-03 -8.3250000000e-04
+
+JOB 45
+COORDS  1.3726640000e+00 -3.6052400000e-01 -1.0698020000e+00  7.2799700000e-01 -1.0537880000e+00 -9.2830600000e-01  1.1408760000e+00  1.2809000000e-02 -1.9201710000e+00 -1.3278910000e+00  3.6441700000e-01  1.0415440000e+00 -2.0020670000e+00  9.0979000000e-02  1.6635970000e+00 -6.7223600000e-01  8.0945000000e-01  1.5784750000e+00
+ENERGY -1.526561199898e+02
+FORCES -5.7282000000e-03 -9.9350000000e-04 -2.0706000000e-03  4.3136000000e-03  1.5198000000e-03 -1.7412000000e-03  1.4359000000e-03 -1.5087000000e-03  2.9242000000e-03  9.6140000000e-04  1.9577000000e-03  5.0203000000e-03  2.9544000000e-03  8.3190000000e-04 -2.8058000000e-03 -3.9371000000e-03 -1.8072000000e-03 -1.3269000000e-03
+
+JOB 46
+COORDS -8.3481600000e-01 -1.1199570000e+00 -1.1048950000e+00 -1.9219500000e-01 -1.5180560000e+00 -5.1770800000e-01 -1.3687540000e+00 -1.8537780000e+00 -1.4092770000e+00  7.8767900000e-01  1.1508560000e+00  1.1326080000e+00  1.5380770000e+00  7.5585500000e-01  6.8863800000e-01  7.9875600000e-01  2.0665580000e+00  8.5404200000e-01
+ENERGY -1.526536867466e+02
+FORCES  1.2790000000e-04 -4.1858000000e-03  2.6097000000e-03 -1.6553000000e-03  8.1080000000e-04 -3.6072000000e-03  2.1132000000e-03  3.2121000000e-03  1.2630000000e-03  1.9613000000e-03  3.0770000000e-03 -4.2356000000e-03 -3.0244000000e-03  5.0330000000e-04  2.2498000000e-03  4.7730000000e-04 -3.4174000000e-03  1.7204000000e-03
+
+JOB 47
+COORDS -8.0351100000e-01 -1.2497640000e+00 -1.1064150000e+00 -1.5158670000e+00 -1.5496520000e+00 -5.4174900000e-01 -5.6617600000e-01 -3.9059000000e-01 -7.5752400000e-01  8.0755100000e-01  1.1685380000e+00  1.0381830000e+00  9.6036600000e-01  1.4735630000e+00  1.9325200000e+00  1.0912690000e+00  1.8961280000e+00  4.8469500000e-01
+ENERGY -1.526573057659e+02
+FORCES -5.4590000000e-04  3.1398000000e-03  5.6609000000e-03  2.1903000000e-03  6.5170000000e-04 -2.4424000000e-03 -2.5401000000e-03 -3.9905000000e-03 -4.6838000000e-03  3.2288000000e-03  4.4940000000e-03  3.2887000000e-03 -3.9980000000e-04 -8.2740000000e-04 -3.9193000000e-03 -1.9334000000e-03 -3.4676000000e-03  2.0958000000e-03
+
+JOB 48
+COORDS  1.7659800000e-01  1.8373900000e+00 -1.9192900000e-01  3.6652300000e-01  2.6251500000e+00 -7.0143400000e-01  6.5595200000e-01  1.1404460000e+00 -6.3994800000e-01 -2.2129000000e-01 -1.8295200000e+00  1.7626500000e-01 -3.3166300000e-01 -2.6676730000e+00  6.2520800000e-01  1.1884000000e-02 -1.2139310000e+00  8.7118300000e-01
+ENERGY -1.526560383869e+02
+FORCES  2.1763000000e-03  5.2170000000e-04 -5.1182000000e-03 -7.0470000000e-04 -3.1262000000e-03  1.9627000000e-03 -1.4116000000e-03  3.6833000000e-03  3.2511000000e-03 -6.3380000000e-04 -1.1079000000e-03  5.4130000000e-03  3.8390000000e-04  3.3890000000e-03 -1.7145000000e-03  1.9010000000e-04 -3.3598000000e-03 -3.7941000000e-03
+
+JOB 49
+COORDS  9.5086800000e-01 -3.0495800000e-01 -1.5298770000e+00  1.2232030000e+00  2.5797500000e-01 -2.2545640000e+00  8.4269200000e-01 -1.1698770000e+00 -1.9254080000e+00 -9.0536700000e-01  3.2800700000e-01  1.5648150000e+00 -1.1770910000e+00 -2.7346700000e-01  2.2580880000e+00 -1.6961690000e+00  8.2454400000e-01  1.3543040000e+00
+ENERGY -1.526520549259e+02
+FORCES  5.3780000000e-04 -1.4053000000e-03 -4.0502000000e-03 -1.3173000000e-03 -2.1608000000e-03  3.1609000000e-03  4.9260000000e-04  3.5213000000e-03  1.5892000000e-03 -4.1173000000e-03 -3.9530000000e-04  1.0892000000e-03  1.2769000000e-03  2.3098000000e-03 -2.9440000000e-03  3.1274000000e-03 -1.8697000000e-03  1.1550000000e-03
+
+JOB 50
+COORDS -1.6158320000e+00  9.2716000000e-02  1.0333350000e+00 -1.7108370000e+00 -2.7116000000e-01  1.5310800000e-01 -1.9508270000e+00  9.8646000000e-01  9.6100100000e-01  1.6709310000e+00 -1.7041400000e-01 -9.7675100000e-01  1.9586260000e+00  6.6680200000e-01 -1.3408010000e+00  7.5881900000e-01 -2.2689000000e-02 -7.2683100000e-01
+ENERGY -1.526543048395e+02
+FORCES -4.3866000000e-03  1.7544000000e-03 -2.1115000000e-03  2.7803000000e-03  2.5414000000e-03  3.4051000000e-03  2.0124000000e-03 -4.0323000000e-03 -8.3300000000e-05 -2.3841000000e-03  4.2595000000e-03  1.2354000000e-03 -1.2900000000e-03 -3.3935000000e-03  1.2965000000e-03  3.2681000000e-03 -1.1295000000e-03 -3.7421000000e-03
+
+JOB 51
+COORDS -1.2812810000e+00 -7.6836400000e-01 -1.2670390000e+00 -5.2886800000e-01 -3.3820800000e-01 -8.6074900000e-01 -2.0207670000e+00 -1.9251200000e-01 -1.0726520000e+00  1.3397590000e+00  6.6589600000e-01  1.2097540000e+00  4.5314500000e-01  4.0452500000e-01  1.4584150000e+00  1.3472680000e+00  1.6174880000e+00  1.3129480000e+00
+ENERGY -1.526552476730e+02
+FORCES  1.1680000000e-03  4.0299000000e-03  1.1567000000e-03 -5.6345000000e-03 -2.2001000000e-03 -9.8070000000e-04  3.1995000000e-03 -2.2880000000e-03 -1.4050000000e-04 -1.8493000000e-03  3.4070000000e-03  4.0647000000e-03  3.5199000000e-03  1.4358000000e-03 -3.4270000000e-03 -4.0360000000e-04 -4.3846000000e-03 -6.7320000000e-04
+
+JOB 52
+COORDS  5.7354100000e-01 -1.6395720000e+00 -7.4192500000e-01  1.1835280000e+00 -1.6530650000e+00 -1.4794650000e+00  3.3495600000e-01 -2.5572690000e+00 -6.1099900000e-01 -5.4257400000e-01  1.7354030000e+00  8.0711500000e-01 -1.3988490000e+00  2.0031250000e+00  4.7342400000e-01 -5.2046300000e-01  7.8720300000e-01  6.7803800000e-01
+ENERGY -1.526571114232e+02
+FORCES  2.7530000000e-03 -4.3170000000e-03 -3.2996000000e-03 -2.7146000000e-03 -6.1710000000e-04  2.9998000000e-03  8.8910000000e-04  3.9403000000e-03 -6.2730000000e-04 -2.5006000000e-03 -4.1761000000e-03 -2.5461000000e-03  3.1083000000e-03 -7.8480000000e-04  1.3424000000e-03 -1.5352000000e-03  5.9547000000e-03  2.1309000000e-03
+
+JOB 53
+COORDS  8.4274100000e-01  1.6523360000e+00 -6.8115400000e-01 -9.3781000000e-02  1.8444150000e+00 -6.3356500000e-01  9.8791300000e-01  1.3893820000e+00 -1.5900060000e+00 -7.8522900000e-01 -1.5927590000e+00  6.9301200000e-01 -1.6060930000e+00 -1.9631270000e+00  1.0174230000e+00 -1.0798000000e-01 -2.1809860000e+00  1.0270100000e+00
+ENERGY -1.526541584769e+02
+FORCES -4.3386000000e-03 -1.9868000000e-03 -2.8180000000e-03  3.8924000000e-03  6.9120000000e-04 -6.9860000000e-04 -1.3790000000e-04  1.4575000000e-03  3.3096000000e-03  5.2640000000e-04 -3.9459000000e-03  3.1744000000e-03  3.2669000000e-03  1.8857000000e-03 -1.5443000000e-03 -3.2093000000e-03  1.8983000000e-03 -1.4231000000e-03
+
+JOB 54
+COORDS -9.6505300000e-01 -1.5166980000e+00 -9.6008000000e-01 -5.3413300000e-01 -1.2626210000e+00 -1.4400200000e-01 -8.7720200000e-01 -7.5017200000e-01 -1.5266060000e+00  9.4550700000e-01  1.4941930000e+00  8.8606700000e-01  3.3034200000e-01  1.6829830000e+00  1.5947010000e+00  1.4315870000e+00  7.2696800000e-01  1.1882640000e+00
+ENERGY -1.526554883080e+02
+FORCES  2.4366000000e-03  5.6107000000e-03  7.5870000000e-04 -1.6206000000e-03 -2.4574000000e-03 -2.3647000000e-03 -9.2210000000e-04 -3.9363000000e-03  1.6201000000e-03  7.8930000000e-04 -3.6320000000e-04  5.3182000000e-03  2.5798000000e-03 -1.4003000000e-03 -3.3906000000e-03 -3.2630000000e-03  2.5465000000e-03 -1.9418000000e-03
+
+JOB 55
+COORDS -1.7824010000e+00 -3.4546400000e-01 -6.7379300000e-01 -1.8887400000e+00 -8.4642300000e-01 -1.4824740000e+00 -2.1684290000e+00 -8.9976900000e-01  4.4100000000e-03  1.8561970000e+00  4.4453700000e-01  7.0714200000e-01  9.0961700000e-01  4.4886900000e-01  8.4926200000e-01  1.9929710000e+00 -2.0944200000e-01  2.1696000000e-02
+ENERGY -1.526564057998e+02
+FORCES -3.8029000000e-03 -4.3530000000e-03 -1.7685000000e-03  5.3850000000e-04  1.9406000000e-03  3.6433000000e-03  2.4296000000e-03  2.5121000000e-03 -2.7020000000e-03 -4.8561000000e-03 -2.2736000000e-03 -3.2990000000e-03  5.1964000000e-03  1.4400000000e-05  1.3529000000e-03  4.9440000000e-04  2.1595000000e-03  2.7734000000e-03
+
+JOB 56
+COORDS  1.2118000000e-01  1.2491160000e+00  1.5933350000e+00  2.8546000000e-01  6.6084000000e-01  8.5633100000e-01  6.6811700000e-01  2.0144090000e+00  1.4160800000e+00 -1.9464300000e-01 -1.2296850000e+00 -1.4966720000e+00  2.0815900000e-01 -2.0979160000e+00 -1.4841030000e+00  2.2074000000e-02 -8.7705800000e-01 -2.3597600000e+00
+ENERGY -1.526567755809e+02
+FORCES  2.1292000000e-03 -4.3900000000e-04 -4.6795000000e-03  4.6090000000e-04  4.2486000000e-03  5.0754000000e-03 -2.0040000000e-03 -2.8098000000e-03  6.6400000000e-04  1.5534000000e-03 -3.6010000000e-03 -4.8435000000e-03 -1.5458000000e-03  3.9772000000e-03 -1.7180000000e-04 -5.9360000000e-04 -1.3760000000e-03  3.9555000000e-03
+
+JOB 57
+COORDS  3.3613000000e-02  1.2280970000e+00  1.6759890000e+00 -6.6326600000e-01  8.2145800000e-01  2.1910000000e+00 -4.2573300000e-01  1.7914770000e+00  1.0532240000e+00  7.5411000000e-02 -1.2313870000e+00 -1.7094290000e+00 -3.3413200000e-01 -2.0494080000e+00 -1.4277410000e+00 -3.1571200000e-01 -5.6159700000e-01 -1.1485050000e+00
+ENERGY -1.526542222687e+02
+FORCES -4.0959000000e-03  2.0587000000e-03  1.2762000000e-03  2.9103000000e-03  1.3723000000e-03 -2.8718000000e-03  1.7975000000e-03 -3.5741000000e-03  1.9735000000e-03 -2.3244000000e-03 -4.4270000000e-04  4.5301000000e-03  1.3975000000e-03  3.2268000000e-03 -1.3127000000e-03  3.1500000000e-04 -2.6410000000e-03 -3.5954000000e-03
+
+JOB 58
+COORDS -6.3117800000e-01 -1.6907900000e-01  1.9914520000e+00 -7.9637800000e-01 -2.0004600000e-01  1.0491240000e+00 -1.4948900000e+00 -2.7530600000e-01  2.3901360000e+00  6.1717100000e-01  1.8806300000e-01 -1.9740060000e+00  1.0295450000e+00 -2.8700200000e-01 -1.2525540000e+00  1.3481330000e+00  4.7442400000e-01 -2.5216600000e+00
+ENERGY -1.526554101576e+02
+FORCES -5.0868000000e-03  7.3400000000e-05 -2.2751000000e-03  1.8105000000e-03 -8.5540000000e-04  4.4402000000e-03  3.5111000000e-03  4.0150000000e-04 -1.4431000000e-03  5.8389000000e-03 -2.7620000000e-04 -9.0100000000e-05 -3.0999000000e-03  2.0112000000e-03 -2.7220000000e-03 -2.9738000000e-03 -1.3546000000e-03  2.0900000000e-03
+
+JOB 59
+COORDS -6.4413000000e-02  1.5793700000e+00  1.3513410000e+00 -3.7711700000e-01  1.8173730000e+00  4.7852800000e-01 -5.2113000000e-01  2.1787350000e+00  1.9415980000e+00  1.2552700000e-01 -1.5658700000e+00 -1.3136680000e+00 -6.9029400000e-01 -1.8260270000e+00 -1.7414370000e+00  6.3350500000e-01 -2.3749180000e+00 -1.2534100000e+00
+ENERGY -1.526537831303e+02
+FORCES -2.9220000000e-03  2.6729000000e-03 -2.1440000000e-03  8.7120000000e-04  1.3620000000e-04  4.0945000000e-03  1.8277000000e-03 -2.5702000000e-03 -2.2989000000e-03 -8.4120000000e-04 -4.8345000000e-03 -6.5300000000e-04  3.2561000000e-03  1.4301000000e-03  1.6204000000e-03 -2.1918000000e-03  3.1655000000e-03 -6.1910000000e-04
+
+JOB 60
+COORDS  1.7218800000e+00 -5.0175900000e-01  1.0726600000e+00  1.5331010000e+00 -1.4191660000e+00  8.7527800000e-01  2.6368120000e+00 -5.0015400000e-01  1.3539580000e+00 -1.7811520000e+00  5.7984500000e-01 -1.1203130000e+00 -1.3293330000e+00  9.0640900000e-01 -3.4220800000e-01 -1.7861730000e+00 -3.7135300000e-01 -1.0134130000e+00
+ENERGY -1.526552883245e+02
+FORCES  4.1759000000e-03 -3.6639000000e-03  4.2690000000e-04  1.6840000000e-04  3.8896000000e-03  7.8470000000e-04 -3.8113000000e-03 -2.3590000000e-04 -1.1162000000e-03  2.9410000000e-03 -2.2286000000e-03  4.1382000000e-03 -3.1759000000e-03 -1.0801000000e-03 -3.5568000000e-03 -2.9810000000e-04  3.3190000000e-03 -6.7680000000e-04
+
+JOB 61
+COORDS  1.7054520000e+00  8.3749300000e-01  1.1592910000e+00  2.5933430000e+00  4.9101000000e-01  1.2477830000e+00  1.3267070000e+00  3.4410200000e-01  4.3172700000e-01 -1.7090870000e+00 -8.4723900000e-01 -1.1021070000e+00 -2.5191520000e+00 -4.1074800000e-01 -8.3847400000e-01 -1.3634390000e+00 -3.0417600000e-01 -1.8105150000e+00
+ENERGY -1.526552017522e+02
+FORCES  1.4199000000e-03 -4.1904000000e-03 -2.3906000000e-03 -3.4568000000e-03  1.4983000000e-03 -4.0240000000e-04  2.6744000000e-03  3.0232000000e-03  2.6597000000e-03 -3.3657000000e-03  3.9095000000e-03 -1.8147000000e-03  3.3492000000e-03 -1.9271000000e-03 -1.4359000000e-03 -6.2100000000e-04 -2.3134000000e-03  3.3840000000e-03
+
+JOB 62
+COORDS  3.1907900000e-01  7.2813100000e-01 -2.1763950000e+00  7.5500300000e-01 -1.1892000000e-02 -1.7538220000e+00  8.3001000000e-02  1.3113810000e+00 -1.4550640000e+00 -3.7492700000e-01 -7.5840100000e-01  2.1163700000e+00  4.8893000000e-01 -9.6519700000e-01  1.7596950000e+00 -3.5781800000e-01  1.8889700000e-01  2.2526220000e+00
+ENERGY -1.526533963973e+02
+FORCES  2.1200000000e-05 -1.0281000000e-03  4.5203000000e-03 -1.2188000000e-03  3.2719000000e-03 -1.4907000000e-03  1.4735000000e-03 -2.1734000000e-03 -2.7715000000e-03  3.4100000000e-03  2.5971000000e-03  3.8750000000e-04 -3.7457000000e-03  1.2522000000e-03  6.3060000000e-04  5.9700000000e-05 -3.9197000000e-03 -1.2762000000e-03
+
+JOB 63
+COORDS -2.2334260000e+00  2.3190700000e-01  1.8946500000e-01 -2.3985120000e+00  1.0350220000e+00  6.8341300000e-01 -2.6167740000e+00 -4.6247700000e-01  7.2529000000e-01  2.2503590000e+00 -1.7677900000e-01 -2.6773900000e-01  3.0437300000e+00 -6.0546200000e-01  5.3238000000e-02  1.5372820000e+00 -7.5011000000e-01  1.3410000000e-02
+ENERGY -1.526545341529e+02
+FORCES -2.7697000000e-03  1.3538000000e-03  4.0107000000e-03  4.3230000000e-04 -3.5749000000e-03 -1.9254000000e-03  2.0694000000e-03  2.6338000000e-03 -2.2107000000e-03 -6.1520000000e-04 -3.9753000000e-03  2.1205000000e-03 -3.2014000000e-03  1.7537000000e-03 -1.2145000000e-03  4.0846000000e-03  1.8088000000e-03 -7.8060000000e-04
+
+JOB 64
+COORDS  8.6443300000e-01 -4.9348200000e-01  2.0800140000e+00  9.9013100000e-01 -5.2607600000e-01  3.0283650000e+00 -7.3213000000e-02 -6.4152200000e-01  1.9569790000e+00 -8.1456800000e-01  5.5873300000e-01 -2.1754350000e+00 -1.6736900000e-01 -1.0643700000e-01 -1.9410960000e+00 -1.5587700000e+00  3.8280800000e-01 -1.5997220000e+00
+ENERGY -1.526540239058e+02
+FORCES -2.9598000000e-03 -3.9280000000e-04  4.1538000000e-03 -6.1660000000e-04  7.9900000000e-05 -3.9554000000e-03  3.7129000000e-03  4.1980000000e-04 -2.2070000000e-04  3.4700000000e-04 -3.2525000000e-03  3.4058000000e-03 -3.3024000000e-03  2.5677000000e-03 -1.2955000000e-03  2.8189000000e-03  5.7780000000e-04 -2.0880000000e-03
+
+JOB 65
+COORDS -8.0070500000e-01  1.3665200000e-01 -2.1524860000e+00 -8.7284700000e-01  5.9023500000e-01 -2.9923010000e+00 -1.1781260000e+00 -7.2811900000e-01 -2.3135960000e+00  7.6030600000e-01 -9.4532000000e-02  2.1914970000e+00  1.5587560000e+00  2.1883800000e-01  1.7666330000e+00  1.0587530000e+00 -7.8424600000e-01  2.7843340000e+00
+ENERGY -1.526536377691e+02
+FORCES -2.2598000000e-03 -1.8923000000e-03 -3.6161000000e-03  4.5200000000e-04 -1.8006000000e-03  3.4850000000e-03  1.6244000000e-03  3.5418000000e-03  2.8290000000e-04  4.4329000000e-03 -1.2120000000e-03 -1.5520000000e-04 -2.9126000000e-03 -1.3363000000e-03  2.3895000000e-03 -1.3370000000e-03  2.6994000000e-03 -2.3861000000e-03
+
+JOB 66
+COORDS  1.8116630000e+00 -8.4354700000e-01 -1.1266860000e+00  2.1613150000e+00 -1.7341710000e+00 -1.0990380000e+00  2.4108850000e+00 -3.6823700000e-01 -1.7022240000e+00 -1.8332730000e+00  8.7036800000e-01  1.2122840000e+00 -2.4145180000e+00  1.4984990000e+00  7.8352100000e-01 -1.7370450000e+00  1.6040700000e-01  5.7751700000e-01
+ENERGY -1.526546086740e+02
+FORCES  4.4774000000e-03 -1.4131000000e-03 -1.9429000000e-03 -1.6077000000e-03  3.6311000000e-03 -2.2570000000e-04 -2.4953000000e-03 -2.1006000000e-03  2.1998000000e-03 -9.4680000000e-04 -6.7510000000e-04 -4.8219000000e-03  2.1710000000e-03 -2.3766000000e-03  1.7928000000e-03 -1.5985000000e-03  2.9343000000e-03  2.9979000000e-03
+
+JOB 67
+COORDS  1.3883260000e+00  2.6314400000e-01 -1.9685400000e+00  1.4130750000e+00 -4.4829500000e-01 -1.3286390000e+00  2.3044250000e+00  5.1687400000e-01 -2.0808620000e+00 -1.4777370000e+00 -2.8315600000e-01  1.9756950000e+00 -1.7358760000e+00  1.6989100000e-01  1.1729850000e+00 -5.8878600000e-01  2.5838000000e-02  2.1503940000e+00
+ENERGY -1.526547314830e+02
+FORCES  4.2654000000e-03 -2.2702000000e-03  1.3813000000e-03 -2.7180000000e-04  3.5033000000e-03 -2.2697000000e-03 -3.8390000000e-03 -1.0331000000e-03  6.3350000000e-04  2.1064000000e-03  3.7225000000e-03 -2.6119000000e-03  1.0684000000e-03 -2.2077000000e-03  3.6038000000e-03 -3.3295000000e-03 -1.7147000000e-03 -7.3700000000e-04
+
+JOB 68
+COORDS -1.6166450000e+00  1.2535240000e+00  1.4911850000e+00 -1.1430720000e+00  1.1709150000e+00  6.6345600000e-01 -2.3848040000e+00  6.9233100000e-01  1.3852280000e+00  1.6093450000e+00 -1.1504050000e+00 -1.4516590000e+00  1.1925370000e+00 -1.7666450000e+00 -8.4937100000e-01  2.3769330000e+00 -1.6182480000e+00 -1.7805420000e+00
+ENERGY -1.526548355650e+02
+FORCES -9.2850000000e-04 -2.1626000000e-03 -4.2020000000e-03 -2.4719000000e-03  1.6700000000e-04  3.8907000000e-03  3.1430000000e-03  2.0508000000e-03  5.4430000000e-04  2.1915000000e-03 -4.6472000000e-03  1.0158000000e-03  1.2862000000e-03  2.7986000000e-03 -2.5964000000e-03 -3.2202000000e-03  1.7933000000e-03  1.3476000000e-03
+
+JOB 69
+COORDS  8.0688000000e-01  2.2730970000e+00 -8.5444600000e-01  1.8252900000e-01  2.7508470000e+00 -1.4004990000e+00  7.7275300000e-01  2.7164840000e+00 -6.8170000000e-03 -7.8409900000e-01 -2.3643120000e+00  8.8764300000e-01  8.4086000000e-02 -2.1552080000e+00  5.4302400000e-01 -1.3899410000e+00 -1.9019740000e+00  3.0847900000e-01
+ENERGY -1.526550077707e+02
+FORCES -2.4166000000e-03  4.3668000000e-03  1.2774000000e-03  2.4607000000e-03 -2.1591000000e-03  2.2719000000e-03  7.9200000000e-05 -1.9146000000e-03 -3.6025000000e-03  1.4256000000e-03  3.1581000000e-03 -4.0657000000e-03 -3.5716000000e-03 -1.3564000000e-03  1.6576000000e-03  2.0227000000e-03 -2.0949000000e-03  2.4613000000e-03
+
+JOB 70
+COORDS  9.3182400000e-01  5.6443300000e-01  2.3131550000e+00  2.8307300000e-01  7.4942100000e-01  2.9922230000e+00  1.6633720000e+00  1.1478690000e+00  2.5148270000e+00 -9.5553200000e-01 -6.1747700000e-01 -2.3071920000e+00 -1.4139580000e+00 -4.1795600000e-01 -3.1234450000e+00 -3.1842000000e-02 -6.5926500000e-01 -2.5547450000e+00
+ENERGY -1.526536065672e+02
+FORCES -2.0790000000e-04  3.1150000000e-03  3.4547000000e-03  2.8540000000e-03 -7.0250000000e-04 -2.5605000000e-03 -2.8646000000e-03 -2.4232000000e-03 -9.2310000000e-04  2.3455000000e-03  6.9660000000e-04 -3.8410000000e-03  1.7649000000e-03 -7.8400000000e-04  3.3518000000e-03 -3.8919000000e-03  9.8100000000e-05  5.1810000000e-04
+
+JOB 71
+COORDS -1.8564320000e+00  1.2094750000e+00 -1.7186620000e+00 -9.2642700000e-01  1.0103490000e+00 -1.8266990000e+00 -2.0927560000e+00  1.6898620000e+00 -2.5121420000e+00  1.8058790000e+00 -1.1741590000e+00  1.7402830000e+00  2.6057120000e+00 -1.3627340000e+00  2.2311380000e+00  1.3020170000e+00 -1.9869900000e+00  1.7810500000e+00
+ENERGY -1.526543956350e+02
+FORCES  3.2247000000e-03  1.1540000000e-03 -3.2958000000e-03 -4.1261000000e-03  8.5320000000e-04 -3.1700000000e-05  8.9050000000e-04 -1.9462000000e-03  3.1690000000e-03  9.6790000000e-04 -4.0962000000e-03  2.4727000000e-03 -3.2267000000e-03  7.5950000000e-04 -2.0577000000e-03  2.2697000000e-03  3.2757000000e-03 -2.5650000000e-04
+
+JOB 72
+COORDS -1.5239950000e+00 -1.5945220000e+00  1.9030460000e+00 -1.5922630000e+00 -2.1034450000e+00  1.0952280000e+00 -9.4773600000e-01 -8.6396100000e-01  1.6784610000e+00  1.4606960000e+00  1.5272010000e+00 -1.8220910000e+00  2.3597480000e+00  1.7890880000e+00 -1.6237160000e+00  1.0921960000e+00  2.2733570000e+00 -2.2950520000e+00
+ENERGY -1.526550118378e+02
+FORCES  2.3277000000e-03  1.1370000000e-03 -4.5968000000e-03  6.0700000000e-05  1.7972000000e-03  3.3984000000e-03 -2.5244000000e-03 -3.0806000000e-03  1.4085000000e-03  2.3794000000e-03  4.3328000000e-03 -1.4671000000e-03 -3.7626000000e-03 -1.0922000000e-03 -7.4360000000e-04  1.5192000000e-03 -3.0941000000e-03  2.0004000000e-03
+
+JOB 73
+COORDS  2.8727000000e-02 -2.9104940000e+00  4.1406300000e-01 -2.0042700000e-01 -2.5936080000e+00 -4.5960900000e-01  8.0061900000e-01 -2.4004370000e+00  6.5953700000e-01 -7.8725000000e-02  2.8962840000e+00 -3.3223500000e-01  2.4699100000e-01  2.0084840000e+00 -4.8040200000e-01 -7.6457000000e-02  3.3006570000e+00 -1.1998230000e+00
+ENERGY -1.526534888008e+02
+FORCES  2.1228000000e-03  3.0073000000e-03 -2.3216000000e-03  1.0975000000e-03 -9.9350000000e-04  3.5731000000e-03 -3.2421000000e-03 -1.8586000000e-03 -1.2792000000e-03  1.1848000000e-03 -1.6793000000e-03 -4.1318000000e-03 -1.1882000000e-03  3.3178000000e-03  5.6530000000e-04  2.5300000000e-05 -1.7936000000e-03  3.5942000000e-03
+
+JOB 74
+COORDS  1.9102990000e+00  2.8904800000e-01  2.6514050000e+00  1.1370320000e+00  8.4735600000e-01  2.7325360000e+00  2.5776920000e+00  8.5774100000e-01  2.2674710000e+00 -1.9241230000e+00 -3.2372000000e-01 -2.6931810000e+00 -1.0713530000e+00 -5.9635600000e-01 -2.3545280000e+00 -2.5414890000e+00 -5.4687100000e-01 -1.9965490000e+00
+ENERGY -1.526543436330e+02
+FORCES -1.9260000000e-04  4.7972000000e-03 -9.1940000000e-04  3.0612000000e-03 -2.4395000000e-03 -4.9650000000e-04 -2.8111000000e-03 -2.4052000000e-03  1.4874000000e-03  9.9980000000e-04 -2.2917000000e-03  4.2011000000e-03 -3.5245000000e-03  1.2934000000e-03 -1.4480000000e-03  2.4672000000e-03  1.0459000000e-03 -2.8246000000e-03
+
+JOB 75
+COORDS  1.5309260000e+00  1.8257810000e+00 -2.4013230000e+00  1.8585390000e+00  1.1465230000e+00 -1.8118230000e+00  7.7762100000e-01  2.1983210000e+00 -1.9430910000e+00 -1.4942090000e+00 -1.7398160000e+00  2.3642200000e+00 -2.3560390000e+00 -2.1560050000e+00  2.3806080000e+00 -8.9568800000e-01 -2.4377490000e+00  2.0979610000e+00
+ENERGY -1.526544450227e+02
+FORCES -1.8735000000e-03 -1.2191000000e-03  4.4953000000e-03 -1.1809000000e-03  2.6678000000e-03 -2.5360000000e-03  3.1130000000e-03 -1.4292000000e-03 -2.0360000000e-03 -1.2792000000e-03 -4.7370000000e-03 -7.9520000000e-04  3.5669000000e-03  1.7184000000e-03 -9.7100000000e-05 -2.3463000000e-03  2.9992000000e-03  9.6900000000e-04
+
+JOB 76
+COORDS -3.4806290000e+00  1.1291530000e+00 -1.9059120000e+00 -3.8339480000e+00  4.7139300000e-01 -2.5048690000e+00 -3.4087530000e+00  1.9227370000e+00 -2.4362800000e+00  3.5586870000e+00 -1.1262260000e+00  1.9678910000e+00  2.9059770000e+00 -5.0820700000e-01  1.6388720000e+00  3.0475130000e+00 -1.8771480000e+00  2.2696360000e+00
+ENERGY -1.526543203286e+02
+FORCES -1.2672000000e-03  6.1230000000e-04 -4.6774000000e-03  1.4816000000e-03  2.6624000000e-03  2.4725000000e-03 -2.5720000000e-04 -3.2586000000e-03  2.1854000000e-03 -4.8801000000e-03 -4.8950000000e-04 -1.3440000000e-04  2.7752000000e-03 -2.5238000000e-03  1.3570000000e-03  2.1477000000e-03  2.9973000000e-03 -1.2031000000e-03
+
+JOB 77
+COORDS -1.8054870000e+00  1.4667100000e+00  3.5319130000e+00 -2.0711490000e+00  2.2763290000e+00  3.9680000000e+00 -1.7839340000e+00  1.6911230000e+00  2.6016410000e+00  1.7903260000e+00 -1.5265180000e+00 -3.4474650000e+00  2.1453050000e+00 -6.9117000000e-01 -3.7514640000e+00  1.9092070000e+00 -2.1214630000e+00 -4.1878290000e+00
+ENERGY -1.526540307643e+02
+FORCES -9.4250000000e-04  4.1027000000e-03 -2.1342000000e-03  1.0789000000e-03 -3.2814000000e-03 -1.7522000000e-03 -1.3810000000e-04 -8.0040000000e-04  3.8704000000e-03  1.9960000000e-03  8.7970000000e-04 -4.2452000000e-03 -1.4997000000e-03 -3.3600000000e-03  1.2539000000e-03 -4.9460000000e-04  2.4594000000e-03  3.0074000000e-03
+
+JOB 78
+COORDS -1.5581840000e+00  9.5469700000e-01 -3.9385320000e+00 -1.3115170000e+00  5.9546600000e-01 -4.7907880000e+00 -2.3747740000e+00  1.4259150000e+00 -4.1039590000e+00  1.5600650000e+00 -9.0412500000e-01  3.9860020000e+00  2.5038270000e+00 -1.0536850000e+00  3.9296250000e+00  1.1920920000e+00 -1.7651210000e+00  4.1847840000e+00
+ENERGY -1.526539191636e+02
+FORCES -2.3308000000e-03  5.0190000000e-04 -4.0676000000e-03 -9.9540000000e-04  1.4444000000e-03  3.4675000000e-03  3.3290000000e-03 -1.9396000000e-03  6.3280000000e-04  2.3063000000e-03 -4.1063000000e-03  3.9560000000e-04 -3.8242000000e-03  6.0090000000e-04  3.0360000000e-04  1.5151000000e-03  3.4986000000e-03 -7.3190000000e-04
+
+JOB 79
+COORDS  3.7880260000e+00  1.5162350000e+00  1.6515810000e+00  4.6980380000e+00  1.2682510000e+00  1.8147170000e+00  3.2817340000e+00  9.9397600000e-01  2.2737920000e+00 -3.8408610000e+00 -1.5167530000e+00 -1.6733650000e+00 -3.0228910000e+00 -1.5755090000e+00 -2.1670310000e+00 -4.0434980000e+00 -5.8142600000e-01 -1.6551170000e+00
+ENERGY -1.526542270672e+02
+FORCES  1.6889000000e-03 -3.1380000000e-03  3.2781000000e-03 -3.7171000000e-03  1.0092000000e-03 -6.8480000000e-04  2.0527000000e-03  2.1408000000e-03 -2.5833000000e-03  2.5512000000e-03  3.6374000000e-03 -1.9708000000e-03 -3.3596000000e-03  1.8540000000e-04  2.0201000000e-03  7.8390000000e-04 -3.8348000000e-03 -5.9300000000e-05
+
+JOB 80
+COORDS -2.1087020000e+00  3.0160860000e+00 -2.9135600000e+00 -1.5072390000e+00  2.8231620000e+00 -2.1943560000e+00 -2.8180320000e+00  2.3817840000e+00 -2.8099050000e+00  2.1687290000e+00 -2.9900850000e+00  2.9114210000e+00  2.0581090000e+00 -2.3291070000e+00  2.2279710000e+00  1.3203630000e+00 -3.4308610000e+00  2.9585620000e+00
+ENERGY -1.526538967920e+02
+FORCES -4.9100000000e-04 -3.2724000000e-03  3.3120000000e-03 -2.4405000000e-03  6.9950000000e-04 -2.9139000000e-03  2.9479000000e-03  2.5481000000e-03 -3.8680000000e-04 -3.8401000000e-03  8.1230000000e-04 -2.5621000000e-03  3.8040000000e-04 -2.6481000000e-03  2.7752000000e-03  3.4433000000e-03  1.8605000000e-03 -2.2450000000e-04
+
+JOB 81
+COORDS -1.3515950000e+00 -3.0835000000e+00 -3.8401430000e+00 -7.6518500000e-01 -2.4513290000e+00 -4.2557340000e+00 -8.2878400000e-01 -3.4700190000e+00 -3.1376450000e+00  1.2876990000e+00  3.0955180000e+00  3.7572220000e+00  5.3620500000e-01  2.9734770000e+00  4.3373900000e+00  2.0356750000e+00  2.7784990000e+00  4.2634460000e+00
+ENERGY -1.526541259796e+02
+FORCES  4.5357000000e-03  1.0933000000e-03  1.2062000000e-03 -2.3914000000e-03 -2.6225000000e-03  1.6593000000e-03 -2.1387000000e-03  1.5203000000e-03 -2.8708000000e-03 -5.5600000000e-05 -1.7363000000e-03  4.4714000000e-03  3.0888000000e-03  4.7970000000e-04 -2.3722000000e-03 -3.0388000000e-03  1.2655000000e-03 -2.0940000000e-03
+
+JOB 82
+COORDS  3.7819460000e+00 -1.9427240000e+00  2.8327760000e+00  3.3842400000e+00 -1.0973220000e+00  3.0410000000e+00  4.7233380000e+00 -1.7930860000e+00  2.9200720000e+00 -3.7537580000e+00  1.8797150000e+00 -2.8713700000e+00 -4.2428500000e+00  1.4015700000e+00 -2.2017450000e+00 -4.2864450000e+00  2.6546410000e+00 -3.0501590000e+00
+ENERGY -1.526540651704e+02
+FORCES  2.2076000000e-03  4.0912000000e-03  1.1163000000e-03  1.6249000000e-03 -3.4629000000e-03 -7.9030000000e-04 -3.8314000000e-03 -6.2220000000e-04 -3.2530000000e-04 -4.1786000000e-03  1.1462000000e-03  1.9849000000e-03  1.9918000000e-03  1.9910000000e-03 -2.7236000000e-03  2.1858000000e-03 -3.1433000000e-03  7.3800000000e-04
+
+JOB 83
+COORDS -3.5415550000e+00  3.6896010000e+00  5.2816000000e-02 -3.1736040000e+00  4.5650680000e+00  1.7282300000e-01 -4.1064440000e+00  3.5601960000e+00  8.1464700000e-01  3.4924220000e+00 -3.7100850000e+00 -8.1047000000e-02  4.2353800000e+00 -3.1533950000e+00 -3.1416100000e-01  3.8054160000e+00 -4.6024620000e+00 -2.2913300000e-01
+ENERGY -1.526539877360e+02
+FORCES -7.5860000000e-04  2.9617000000e-03  3.6308000000e-03 -1.5112000000e-03 -3.5439000000e-03 -5.0540000000e-04  2.2770000000e-03  5.6970000000e-04 -3.1179000000e-03  4.2608000000e-03 -1.3254000000e-03 -1.6045000000e-03 -3.0008000000e-03 -2.2921000000e-03  9.7470000000e-04 -1.2671000000e-03  3.6300000000e-03  6.2230000000e-04
+
+JOB 84
+COORDS  5.1180160000e+00 -1.8693920000e+00 -1.2812670000e+00  5.1659210000e+00 -2.4195270000e+00 -4.9941700000e-01  4.5977190000e+00 -1.1128220000e+00 -1.0108520000e+00 -5.1351420000e+00  1.9096330000e+00  1.2033900000e+00 -5.0002040000e+00  1.0732390000e+00  7.5789100000e-01 -4.5358990000e+00  1.8836280000e+00  1.9493550000e+00
+ENERGY -1.526540087491e+02
+FORCES -1.8588000000e-03  8.5790000000e-04  4.2736000000e-03 -2.3390000000e-04  2.2494000000e-03 -3.1868000000e-03  2.0832000000e-03 -3.1087000000e-03 -1.0862000000e-03  2.9311000000e-03 -3.5193000000e-03  1.2151000000e-03 -5.1370000000e-04  3.4199000000e-03  1.8361000000e-03 -2.4079000000e-03  1.0080000000e-04 -3.0517000000e-03
+
+JOB 85
+COORDS  4.0889960000e+00 -1.7478150000e+00  4.3751690000e+00  4.2992100000e+00 -1.6185690000e+00  5.3000130000e+00  4.5050190000e+00 -1.0101100000e+00  3.9291320000e+00 -4.1571500000e+00  1.6843880000e+00 -4.3498190000e+00 -3.2749900000e+00  2.0559050000e+00 -4.3487320000e+00 -4.3987590000e+00  1.6424730000e+00 -5.2750750000e+00
+ENERGY -1.526540401129e+02
+FORCES  2.5234000000e-03  3.5363000000e-03  1.9657000000e-03 -8.4410000000e-04 -5.2680000000e-04 -3.7771000000e-03 -1.6840000000e-03 -3.0085000000e-03  1.8093000000e-03  2.6261000000e-03  1.3068000000e-03 -3.7555000000e-03 -3.6030000000e-03 -1.4918000000e-03 -1.3400000000e-05  9.8150000000e-04  1.8410000000e-04  3.7711000000e-03
+
+JOB 86
+COORDS  4.1850930000e+00 -4.6673220000e+00 -2.2165720000e+00  4.1948030000e+00 -5.0563540000e+00 -3.0910960000e+00  3.3743640000e+00 -4.9870320000e+00 -1.8206740000e+00 -4.1408500000e+00  4.7519560000e+00  2.2087410000e+00 -4.3355670000e+00  4.7434540000e+00  3.1458890000e+00 -3.9270130000e+00  3.8426430000e+00  1.9998000000e+00
+ENERGY -1.526540626962e+02
+FORCES -3.2464000000e-03 -2.8954000000e-03 -1.9778000000e-03 -4.8100000000e-05  1.5848000000e-03  3.5774000000e-03  3.2954000000e-03  1.3137000000e-03 -1.5991000000e-03  1.1110000000e-04 -3.7341000000e-03  2.9749000000e-03  7.8130000000e-04  3.0300000000e-05 -3.8249000000e-03 -8.9330000000e-04  3.7008000000e-03  8.4950000000e-04
+
+JOB 87
+COORDS  2.9717200000e+00 -4.1668860000e+00 -5.4303540000e+00  3.1937550000e+00 -4.9647680000e+00 -5.9102660000e+00  3.6364140000e+00 -4.1067110000e+00 -4.7442100000e+00 -3.0337910000e+00  4.1748750000e+00  5.4651320000e+00 -3.3582460000e+00  4.0660740000e+00  4.5711950000e+00 -2.6113960000e+00  5.0338360000e+00  5.4642490000e+00
+ENERGY -1.526540966586e+02
+FORCES  3.6167000000e-03 -3.0243000000e-03  8.4840000000e-04 -9.0490000000e-04  3.2587000000e-03  1.9536000000e-03 -2.7108000000e-03 -2.3650000000e-04 -2.8032000000e-03  3.9580000000e-04  3.0511000000e-03 -3.6696000000e-03  1.3227000000e-03  4.5080000000e-04  3.6572000000e-03 -1.7196000000e-03 -3.4998000000e-03  1.3600000000e-05
+
+JOB 88
+COORDS -6.5556970000e+00  2.7717300000e+00 -3.3524020000e+00 -5.8648550000e+00  2.3198090000e+00 -2.8679060000e+00 -6.1682640000e+00  3.6129130000e+00 -3.5943500000e+00  6.4470990000e+00 -2.8216450000e+00  3.3435760000e+00  6.5646270000e+00 -1.9219010000e+00  3.0388150000e+00  7.3283880000e+00 -3.1127800000e+00  3.5776750000e+00
+ENERGY -1.526540771245e+02
+FORCES  4.4006000000e-03  1.5702000000e-03  9.9880000000e-04 -2.8188000000e-03  1.8560000000e-03 -1.9825000000e-03 -1.5810000000e-03 -3.4242000000e-03  9.8310000000e-04  4.0913000000e-03  2.4649000000e-03 -2.7530000000e-04 -4.9360000000e-04 -3.6622000000e-03  1.2353000000e-03 -3.5986000000e-03  1.1953000000e-03 -9.5930000000e-04
+
+JOB 89
+COORDS  7.9645490000e+00  3.1857820000e+00  5.2654400000e+00  7.7761770000e+00  2.4167200000e+00  4.7275820000e+00  8.9188540000e+00  3.2591800000e+00  5.2533630000e+00 -8.0207030000e+00 -3.1465650000e+00 -5.1719440000e+00 -8.5111930000e+00 -3.6803590000e+00 -5.7970170000e+00 -7.3853050000e+00 -2.6722080000e+00 -5.7081210000e+00
+ENERGY -1.526540686580e+02
+FORCES  3.1169000000e-03 -2.8420000000e-03 -2.2398000000e-03  7.7380000000e-04  3.1394000000e-03  2.1917000000e-03 -3.8909000000e-03 -2.9770000000e-04  4.7700000000e-05  5.8600000000e-04 -2.3610000000e-04 -4.7347000000e-03  2.0034000000e-03  2.1754000000e-03  2.5492000000e-03 -2.5892000000e-03 -1.9389000000e-03  2.1859000000e-03
+
+JOB 0
+COORDS -8.5157800000e-01  1.3912300000e-01  8.5984800000e-01 -1.3578710000e+00  7.4687100000e-01  1.3988660000e+00 -1.3739520000e+00 -6.6287500000e-01  8.4727500000e-01  9.7034800000e-01 -1.5755500000e-01 -8.6165700000e-01  7.0466000000e-01 -9.2416000000e-02 -1.7789350000e+00  2.3966500000e-01  2.2094300000e-01 -3.7270600000e-01
+ENERGY -1.526565982764e+02
+FORCES  8.9167000000e-03 -3.7056000000e-03 -9.3075000000e-03  1.8669000000e-03 -4.4090000000e-03 -2.7802000000e-03  8.8320000000e-04  5.5796000000e-03  8.4970000000e-04 -1.3786400000e-02  4.3466000000e-03  1.2970600000e-02 -1.7514000000e-03 -5.1600000000e-05  4.0350000000e-03  3.8710000000e-03 -1.7600000000e-03 -5.7676000000e-03
+
+JOB 1
+COORDS  1.1320170000e+00  1.8623000000e-02  6.6633500000e-01  2.2211400000e-01 -2.7427600000e-01  6.1614000000e-01  1.1812570000e+00  5.0935000000e-01  1.4866970000e+00 -1.1060470000e+00 -7.5220000000e-02 -6.6418300000e-01 -5.0610200000e-01 -3.0086000000e-02 -1.4086690000e+00 -1.4496360000e+00  8.1408000000e-01 -5.7859600000e-01
+ENERGY -1.526573498670e+02
+FORCES -1.5061100000e-02 -1.3205000000e-03 -5.4615000000e-03  8.0031000000e-03  5.8810000000e-04  4.3064000000e-03 -2.8095000000e-03 -9.3650000000e-04 -3.4379000000e-03  1.2365900000e-02  6.2588000000e-03  1.0019000000e-03 -4.2350000000e-03 -5.8480000000e-04  3.2467000000e-03  1.7366000000e-03 -4.0051000000e-03  3.4440000000e-04
+
+JOB 2
+COORDS  9.7599800000e-01  7.9810700000e-01  1.4399600000e-01  1.7380220000e+00  8.4998300000e-01 -4.3294400000e-01  4.5998800000e-01  1.5755330000e+00 -6.9485000000e-02 -1.0551600000e+00 -8.4540000000e-01 -8.9129000000e-02 -5.0898700000e-01 -6.0539000000e-02 -4.5308000000e-02 -4.7637800000e-01 -1.5211410000e+00 -4.4214100000e-01
+ENERGY -1.526530414672e+02
+FORCES -5.0133000000e-03 -5.5425000000e-03 -4.2065000000e-03 -4.1018000000e-03  5.2900000000e-05  3.2710000000e-03 -9.2340000000e-04 -9.5318000000e-03  2.7200000000e-04  1.9774200000e-02  8.0632000000e-03  1.2275000000e-03 -7.4591000000e-03  6.7068000000e-03 -6.6050000000e-04 -2.2767000000e-03  2.5150000000e-04  9.6500000000e-05
+
+JOB 3
+COORDS -1.6328600000e-01  7.7490300000e-01  1.0010820000e+00 -8.3359000000e-01  2.8885500000e-01  1.4813750000e+00  5.3081200000e-01  9.2460800000e-01  1.6429910000e+00  1.8618100000e-01 -7.2531800000e-01 -1.1231940000e+00  1.7675600000e-01 -3.3748500000e-01 -2.4813500000e-01 -1.9088100000e-01 -1.5969370000e+00 -1.0034620000e+00
+ENERGY -1.526568210242e+02
+FORCES  1.2930000000e-04 -3.4535000000e-03 -3.2412000000e-03  5.5400000000e-03  3.6380000000e-04 -4.1149000000e-03 -4.2000000000e-03 -2.1458000000e-03 -3.8840000000e-03 -1.7734000000e-03  1.0268700000e-02  1.4671500000e-02  9.4900000000e-05 -8.8604000000e-03 -5.6883000000e-03  2.0920000000e-04  3.8272000000e-03  2.2569000000e-03
+
+JOB 4
+COORDS  1.0107460000e+00  1.7185200000e-01  8.2702900000e-01  1.8390220000e+00 -2.4698600000e-01  5.9300900000e-01  9.6613000000e-01  9.4579500000e-01  2.6555500000e-01 -1.1011470000e+00 -1.4740200000e-01 -7.6593000000e-01 -3.8697200000e-01 -4.3040600000e-01 -1.9488400000e-01 -9.8517600000e-01 -6.5882600000e-01 -1.5666970000e+00
+ENERGY -1.526587773332e+02
+FORCES -1.6416000000e-03  4.2011000000e-03 -5.5382000000e-03 -5.5357000000e-03  1.4959000000e-03 -7.0300000000e-04  5.6920000000e-04 -6.4730000000e-03  2.4700000000e-03  1.0389600000e-02 -2.5810000000e-03  8.8577000000e-03 -5.7507000000e-03  1.6554000000e-03 -8.6306000000e-03  1.9691000000e-03  1.7017000000e-03  3.5441000000e-03
+
+JOB 5
+COORDS -1.0222890000e+00 -5.6843900000e-01  5.7084000000e-01 -1.2543330000e+00 -1.4335130000e+00  2.3315000000e-01 -5.3734400000e-01 -7.4745300000e-01  1.3764540000e+00  1.0188320000e+00  6.5951100000e-01 -6.6077600000e-01  2.4369200000e-01  1.5323000000e-01 -4.1773400000e-01  1.5964270000e+00  5.9398800000e-01  9.9699000000e-02
+ENERGY -1.526572416207e+02
+FORCES  5.2431000000e-03 -5.8800000000e-05  4.6870000000e-04  2.9559000000e-03  5.2872000000e-03  1.3849000000e-03 -8.2740000000e-04  1.1224000000e-03 -5.7886000000e-03 -1.3400200000e-02 -7.7974000000e-03  9.5465000000e-03  8.2194000000e-03  1.9725000000e-03 -4.4981000000e-03 -2.1908000000e-03 -5.2600000000e-04 -1.1134000000e-03
+
+JOB 6
+COORDS -5.0472000000e-01 -1.0638810000e+00 -6.7888500000e-01 -1.4560380000e+00 -1.1690860000e+00 -6.9145200000e-01 -3.6859900000e-01 -1.1819000000e-01 -6.2082700000e-01  5.4367100000e-01  9.8813600000e-01  7.3625600000e-01  1.1768360000e+00  7.4290200000e-01  6.1575000000e-02  7.9157000000e-02  1.7395430000e+00  3.6768300000e-01
+ENERGY -1.526499864709e+02
+FORCES  3.5170000000e-04  9.4208000000e-03  9.3535000000e-03  3.4347000000e-03  1.5965000000e-03  4.5840000000e-04  2.7911000000e-03  1.0540000000e-04 -7.0596000000e-03  1.8832000000e-03 -3.4670000000e-03 -2.8561000000e-03 -8.2822000000e-03  2.6180000000e-04  7.2450000000e-04 -1.7860000000e-04 -7.9175000000e-03 -6.2080000000e-04
+
+JOB 7
+COORDS -6.0761300000e-01  1.7325000000e-02 -1.2794730000e+00 -1.4267150000e+00 -4.3917300000e-01 -1.0873430000e+00 -1.0500000000e-01 -3.9281000000e-02 -4.6681800000e-01  6.3005900000e-01 -1.5785000000e-02  1.1654140000e+00  3.9900200000e-01 -4.6457700000e-01  1.9786970000e+00  7.5571200000e-01  8.9759100000e-01  1.4226830000e+00
+ENERGY -1.526602352032e+02
+FORCES  4.2048000000e-03 -2.6599000000e-03  1.3791900000e-02  2.1011000000e-03  1.0451000000e-03 -2.2180000000e-04 -2.7696000000e-03  2.6332000000e-03 -8.4318000000e-03 -3.6040000000e-03  8.5240000000e-04 -1.0377000000e-03  1.1921000000e-03  3.4189000000e-03 -3.1336000000e-03 -1.1244000000e-03 -5.2897000000e-03 -9.6700000000e-04
+
+JOB 8
+COORDS  1.4679800000e-01 -1.4296730000e+00  4.1850000000e-02  6.2193000000e-02 -4.7710600000e-01  7.2500000000e-04  1.0350610000e+00 -1.5779270000e+00  3.6626100000e-01 -1.4723600000e-01  1.3327190000e+00 -4.8574000000e-02 -2.9588400000e-01  1.7995510000e+00 -8.7089100000e-01 -7.8607400000e-01  1.7064450000e+00  5.5842400000e-01
+ENERGY -1.526619206524e+02
+FORCES  1.0657000000e-03  1.2784500000e-02  1.2520000000e-04  9.0110000000e-04 -1.0299500000e-02  7.7840000000e-04 -2.4786000000e-03  1.0467000000e-03 -8.6380000000e-04 -2.7078000000e-03 -8.0830000000e-04 -9.7690000000e-04  9.5100000000e-05 -1.4880000000e-03  4.7964000000e-03  3.1244000000e-03 -1.2355000000e-03 -3.8592000000e-03
+
+JOB 9
+COORDS  6.3605600000e-01  2.5098300000e-01 -1.2687690000e+00  2.6116500000e-01  1.0550100000e-01 -4.0013600000e-01 -7.4787000000e-02  6.4564900000e-01 -1.7739160000e+00 -5.1319300000e-01 -3.1698200000e-01  1.2382000000e+00 -1.4509570000e+00 -4.7979700000e-01  1.1366050000e+00 -4.5548400000e-01  6.0492500000e-01  1.4891760000e+00
+ENERGY -1.526588670882e+02
+FORCES -6.9467000000e-03 -3.6852000000e-03  9.9479000000e-03  3.7947000000e-03  7.0108000000e-03 -7.8920000000e-03  1.4552000000e-03 -1.2091000000e-03  2.7458000000e-03 -3.7104000000e-03  1.0792000000e-03  9.0260000000e-04  5.1589000000e-03  2.0421000000e-03 -1.5770000000e-04  2.4830000000e-04 -5.2378000000e-03 -5.5466000000e-03
+
+JOB 10
+COORDS -1.0371190000e+00 -4.5137100000e-01  9.4460300000e-01 -4.3574600000e-01 -2.2308800000e-01  1.6534540000e+00 -6.7174300000e-01 -2.0607000000e-02  1.7183200000e-01  9.1345000000e-01  4.3914500000e-01 -9.3007300000e-01  1.4218660000e+00 -1.9612800000e-01 -4.2591700000e-01  1.4947090000e+00  6.9860400000e-01 -1.6449520000e+00
+ENERGY -1.526591978814e+02
+FORCES  5.0965000000e-03  6.2052000000e-03 -4.6406000000e-03 -7.8680000000e-04 -1.9847000000e-03 -2.6093000000e-03 -2.2409000000e-03 -4.6056000000e-03  6.1717000000e-03  2.4029000000e-03 -1.6841000000e-03 -1.2713000000e-03 -3.2612000000e-03  4.2172000000e-03 -1.6321000000e-03 -1.2105000000e-03 -2.1481000000e-03  3.9816000000e-03
+
+JOB 11
+COORDS -3.9228300000e-01  2.6579000000e-01 -1.3641300000e+00  5.4995000000e-02 -9.7460000000e-03 -5.6397100000e-01  3.0777900000e-01  5.8924600000e-01 -1.9311600000e+00  3.1668000000e-01 -3.2900400000e-01  1.3229700000e+00 -2.7781800000e-01  4.0466900000e-01  1.4795850000e+00  1.1565710000e+00 -3.7217000000e-02  1.6774800000e+00
+ENERGY -1.526606253839e+02
+FORCES  5.7395000000e-03 -3.7149000000e-03  7.6528000000e-03 -3.9824000000e-03  5.7682000000e-03 -8.7082000000e-03 -1.5037000000e-03 -1.0820000000e-03  3.0406000000e-03 -5.7490000000e-04  3.8969000000e-03  3.5738000000e-03  4.6322000000e-03 -4.0835000000e-03 -2.8070000000e-03 -4.3106000000e-03 -7.8470000000e-04 -2.7520000000e-03
+
+JOB 12
+COORDS  1.1284940000e+00  8.9214800000e-01  1.3866400000e-01  5.9910500000e-01  1.3115200000e-01  3.7712700000e-01  1.5229400000e+00  1.1778290000e+00  9.6269700000e-01 -1.1323030000e+00 -8.4031400000e-01 -1.4680300000e-01 -7.8214200000e-01 -1.7116950000e+00 -3.3204600000e-01 -1.2511270000e+00 -4.4121800000e-01 -1.0086820000e+00
+ENERGY -1.526602633367e+02
+FORCES -6.7054000000e-03 -4.8383000000e-03  2.8817000000e-03  9.4139000000e-03  4.1410000000e-03 -1.2200000000e-04 -2.1819000000e-03 -2.0762000000e-03 -2.3522000000e-03 -1.2823000000e-03  6.1970000000e-04 -6.5589000000e-03  3.1260000000e-04  5.4755000000e-03  1.7692000000e-03  4.4300000000e-04 -3.3217000000e-03  4.3822000000e-03
+
+JOB 13
+COORDS -8.1462900000e-01  1.1507180000e+00 -4.5482400000e-01 -9.4953000000e-02  5.9187800000e-01 -1.6157400000e-01 -1.6012330000e+00  7.3251700000e-01 -1.0469000000e-01  8.2421600000e-01 -1.0252010000e+00  3.9948300000e-01  5.7298500000e-01 -1.4201050000e+00  1.2344470000e+00  1.0156330000e+00 -1.7701030000e+00 -1.7035200000e-01
+ENERGY -1.526604023800e+02
+FORCES  4.7100000000e-03 -1.0495800000e-02  4.3033000000e-03 -4.2200000000e-03  7.6462000000e-03 -2.1207000000e-03  1.5305000000e-03  1.5244000000e-03 -7.6190000000e-04 -1.5759000000e-03 -2.7299000000e-03 -7.2100000000e-04  5.8140000000e-04  1.3623000000e-03 -4.5901000000e-03 -1.0259000000e-03  2.6928000000e-03  3.8904000000e-03
+
+JOB 14
+COORDS  1.1707610000e+00 -4.4916800000e-01  6.4864500000e-01  9.8161300000e-01  1.7612000000e-01  1.3482650000e+00  1.9638050000e+00 -1.1117400000e-01  2.3262400000e-01 -1.1964520000e+00  4.4597900000e-01 -6.9147400000e-01 -2.0483180000e+00  6.4426000000e-02 -4.7940700000e-01 -5.6518000000e-01 -2.3911000000e-01 -4.7151800000e-01
+ENERGY -1.526606434146e+02
+FORCES  1.1253000000e-03  6.6948000000e-03  1.1315000000e-03  1.6781000000e-03 -3.6362000000e-03 -2.7815000000e-03 -3.6368000000e-03 -1.3588000000e-03  2.1536000000e-03  5.5062000000e-03 -5.7511000000e-03  3.1868000000e-03  3.7686000000e-03  8.6420000000e-04  3.9430000000e-04 -8.4414000000e-03  3.1871000000e-03 -4.0846000000e-03
+
+JOB 15
+COORDS  1.2383290000e+00 -6.1104700000e-01 -7.3560000000e-02  1.5561610000e+00 -2.1858000000e-01 -8.8669200000e-01  1.9993040000e+00 -6.0961800000e-01  5.0708300000e-01 -1.3542650000e+00  6.0111100000e-01  1.2051500000e-01 -7.4134300000e-01 -1.0159200000e-01  3.3677000000e-01 -1.0055660000e+00  9.8449600000e-01 -6.8425600000e-01
+ENERGY -1.526582370469e+02
+FORCES  2.5035000000e-03  3.4020000000e-03 -5.3620000000e-04 -1.8825000000e-03 -1.2321000000e-03  3.7949000000e-03 -3.1984000000e-03  1.5740000000e-04 -3.2511000000e-03  1.1395600000e-02 -4.2245000000e-03 -2.1863000000e-03 -7.3265000000e-03  2.0160000000e-03  1.0473000000e-03 -1.4917000000e-03 -1.1880000000e-04  1.1314000000e-03
+
+JOB 16
+COORDS  4.8133200000e-01  1.1808710000e+00 -6.6888800000e-01  1.1151450000e+00  6.8407100000e-01 -1.1862880000e+00 -3.0158500000e-01  1.2167420000e+00 -1.2184200000e+00 -4.7767400000e-01 -1.1569300000e+00  7.9139500000e-01 -3.1581800000e-01 -4.2745700000e-01  1.9314500000e-01 -5.4510200000e-01 -1.9236100000e+00  2.2228300000e-01
+ENERGY -1.526576145342e+02
+FORCES  2.4954000000e-03  1.6212000000e-03 -4.7093000000e-03 -5.1492000000e-03  1.0248000000e-03  3.2453000000e-03  3.7611000000e-03 -4.0124000000e-03  5.0677000000e-03  3.2536000000e-03  6.6723000000e-03 -5.1050000000e-03 -5.2837000000e-03 -9.2349000000e-03  7.4560000000e-04  9.2280000000e-04  3.9290000000e-03  7.5570000000e-04
+
+JOB 17
+COORDS -6.9448600000e-01 -1.0438220000e+00 -5.7636300000e-01 -3.4510200000e-01 -1.9134250000e+00 -3.8154700000e-01 -1.3535100000e+00 -1.1961700000e+00 -1.2536440000e+00  7.2694000000e-01  1.1332200000e+00  5.5060500000e-01  1.0072500000e+00  1.2949670000e+00  1.4514360000e+00  1.3897700000e-01  3.8052500000e-01  6.1370500000e-01
+ENERGY -1.526587978634e+02
+FORCES -4.7720000000e-04 -1.1024000000e-03 -3.6425000000e-03 -1.9694000000e-03  4.3430000000e-03 -1.4450000000e-04  3.2672000000e-03 -9.3250000000e-04  2.7365000000e-03 -4.7266000000e-03 -5.5270000000e-03 -1.2090000000e-03 -1.4885000000e-03 -2.1096000000e-03 -3.2628000000e-03  5.3945000000e-03  5.3285000000e-03  5.5223000000e-03
+
+JOB 18
+COORDS -9.8298800000e-01  1.0179500000e+00  4.0436200000e-01 -1.9084300000e+00  8.1656400000e-01  2.6568600000e-01 -5.1555400000e-01  2.7968400000e-01  1.3593000000e-02  1.0333200000e+00 -9.0438800000e-01 -4.1004000000e-01  1.2508090000e+00 -1.1417810000e+00  4.9138900000e-01  4.7082600000e-01 -1.6156740000e+00 -7.1648000000e-01
+ENERGY -1.526590126183e+02
+FORCES  4.9988000000e-03 -5.7302000000e-03 -4.4690000000e-03  4.0448000000e-03 -9.7380000000e-04 -1.4130000000e-04 -9.6837000000e-03  3.6803000000e-03  4.1572000000e-03  2.8614000000e-03 -4.4134000000e-03  3.0402000000e-03 -2.5004000000e-03  1.2367000000e-03 -5.2322000000e-03  2.7920000000e-04  6.2004000000e-03  2.6451000000e-03
+
+JOB 19
+COORDS -6.3500000000e-01 -1.2664960000e+00 -3.0584000000e-01 -1.5279400000e+00 -1.4580150000e+00 -1.9117000000e-02 -7.2501200000e-01 -5.0487700000e-01 -8.7861100000e-01  6.7461500000e-01  1.2903300000e+00  2.8815900000e-01  1.4381030000e+00  1.0276050000e+00  8.0225400000e-01  6.7316000000e-02  5.5469600000e-01  3.6728700000e-01
+ENERGY -1.526572289722e+02
+FORCES -3.5583000000e-03 -2.8060000000e-04 -4.4007000000e-03  4.8751000000e-03  2.1218000000e-03 -9.9910000000e-04  1.6164000000e-03 -8.7660000000e-04  9.3991000000e-03  5.9060000000e-04 -9.4579000000e-03  3.5703000000e-03 -2.4245000000e-03  1.8099000000e-03 -1.4660000000e-03 -1.0993000000e-03  6.6834000000e-03 -6.1037000000e-03
+
+JOB 20
+COORDS -1.3354930000e+00 -4.5749100000e-01  5.3036900000e-01 -1.5818940000e+00 -1.0767900000e+00 -1.5664400000e-01 -4.5714100000e-01 -1.6550000000e-01  2.8650100000e-01  1.2256850000e+00  4.4550400000e-01 -4.9039000000e-01  1.4923600000e+00  1.3646870000e+00 -4.7556600000e-01  2.0148400000e+00 -3.7322000000e-02 -2.4473700000e-01
+ENERGY -1.526619190434e+02
+FORCES  8.5399000000e-03  1.8975000000e-03 -6.1923000000e-03  7.6800000000e-04  1.4693000000e-03  2.1647000000e-03 -8.4711000000e-03 -3.6425000000e-03  4.3767000000e-03  3.1643000000e-03  2.3676000000e-03  8.9710000000e-04 -1.2250000000e-04 -4.9019000000e-03 -6.9000000000e-06 -3.8786000000e-03  2.8100000000e-03 -1.2392000000e-03
+
+JOB 21
+COORDS  1.3896280000e+00  1.4093000000e-01 -5.0358200000e-01  1.3250040000e+00 -8.0295700000e-01 -3.5821300000e-01  1.4882570000e+00  5.1255300000e-01  3.7300300000e-01 -1.4541480000e+00 -1.1789600000e-01  4.2951900000e-01 -1.0960460000e+00  4.7086800000e-01  1.0938630000e+00 -6.9540500000e-01 -6.0220800000e-01  1.0396900000e-01
+ENERGY -1.526509224637e+02
+FORCES  8.5160000000e-04 -8.1140000000e-04  4.0617000000e-03 -4.9445000000e-03  5.1467000000e-03  1.3060000000e-04 -2.4397000000e-03 -2.1030000000e-03 -3.6534000000e-03  9.0861000000e-03  3.7337000000e-03 -2.4167000000e-03 -1.0067000000e-03 -2.3460000000e-03 -1.2178000000e-03 -1.5469000000e-03 -3.6200000000e-03  3.0957000000e-03
+
+JOB 22
+COORDS -5.1851600000e-01 -3.3518100000e-01 -1.2809280000e+00 -1.4104290000e+00 -3.8070600000e-01 -9.3647000000e-01 -4.9983200000e-01 -9.8327800000e-01 -1.9850960000e+00  6.0359200000e-01  3.4781400000e-01  1.3506380000e+00  3.1424100000e-01  1.2590390000e+00  1.3039780000e+00  2.5983300000e-01 -5.4287000000e-02  5.5290600000e-01
+ENERGY -1.526600381058e+02
+FORCES -2.2066000000e-03 -3.1905000000e-03 -3.4267000000e-03  6.0844000000e-03  3.7630000000e-04 -4.9100000000e-05 -1.4334000000e-03  3.3089000000e-03  3.0771000000e-03 -2.0067000000e-03  6.2650000000e-04 -9.5813000000e-03  1.8030000000e-04 -2.9553000000e-03  6.9030000000e-04 -6.1800000000e-04  1.8341000000e-03  9.2896000000e-03
+
+JOB 23
+COORDS -6.1916000000e-02 -6.2155600000e-01 -1.3006390000e+00 -1.2143800000e-01  1.5721400000e-01 -1.8539990000e+00  8.0967600000e-01 -9.7553600000e-01 -1.4774360000e+00 -5.8270000000e-03  5.5998800000e-01  1.3898690000e+00  5.3341000000e-02  3.7183200000e-01  4.5321100000e-01  3.2195300000e-01  1.4551830000e+00  1.4759980000e+00
+ENERGY -1.526593865676e+02
+FORCES  2.5068000000e-03 -1.9761000000e-03 -5.1661000000e-03  1.2577000000e-03 -2.8017000000e-03  5.6084000000e-03 -4.4991000000e-03  3.0034000000e-03  1.1262000000e-03  3.7900000000e-05 -2.1756000000e-03 -8.0749000000e-03  1.6879000000e-03  7.2377000000e-03  8.5006000000e-03 -9.9110000000e-04 -3.2876000000e-03 -1.9942000000e-03
+
+JOB 24
+COORDS  1.1641050000e+00  6.3880800000e-01 -4.8972700000e-01  1.1726180000e+00  1.1330190000e+00 -1.3094310000e+00  1.9042890000e+00  9.8642700000e-01  7.7870000000e-03 -1.2785250000e+00 -6.8495400000e-01  5.2252800000e-01 -8.6466900000e-01 -7.0673300000e-01 -3.4030500000e-01 -5.4688700000e-01 -6.5236600000e-01  1.1388680000e+00
+ENERGY -1.526567041437e+02
+FORCES  1.4970000000e-03  3.9424000000e-03 -3.7390000000e-04 -1.7040000000e-04 -2.7887000000e-03  3.5130000000e-03 -3.5386000000e-03 -1.5778000000e-03 -1.9093000000e-03  1.0661100000e-02  4.0921000000e-03 -2.8867000000e-03 -4.9087000000e-03 -2.0676000000e-03  5.0720000000e-04 -3.5404000000e-03 -1.6005000000e-03  1.1497000000e-03
+
+JOB 25
+COORDS -8.3889500000e-01  5.5762900000e-01 -1.0416950000e+00 -5.3230600000e-01  1.0568620000e+00 -1.7986630000e+00 -1.1204780000e+00  1.2227840000e+00 -4.1359300000e-01  8.2517800000e-01 -6.3153200000e-01  1.1144180000e+00  1.7918000000e-01 -7.1388100000e-01  4.1289300000e-01  1.6328740000e+00 -3.7702200000e-01  6.6822900000e-01
+ENERGY -1.526596167304e+02
+FORCES  7.8360000000e-04  5.4569000000e-03  3.8940000000e-04 -1.1765000000e-03 -1.5762000000e-03  3.7432000000e-03  1.1812000000e-03 -3.3029000000e-03 -3.6957000000e-03 -1.8927000000e-03  2.6088000000e-03 -9.6836000000e-03  2.7516000000e-03 -2.4616000000e-03  7.0108000000e-03 -1.6472000000e-03 -7.2490000000e-04  2.2359000000e-03
+
+JOB 26
+COORDS -1.0663800000e+00 -2.7314500000e-01  9.6894400000e-01 -1.3353370000e+00  5.1992800000e-01  1.4325490000e+00 -1.7556750000e+00 -4.1761100000e-01  3.2069000000e-01  1.1322350000e+00  2.7871800000e-01 -1.0128860000e+00  1.2617100000e+00  4.5936300000e-01 -8.1846000000e-02  8.7426500000e-01 -6.4250500000e-01 -1.0450010000e+00
+ENERGY -1.526559300446e+02
+FORCES -3.4947000000e-03  4.1385000000e-03 -3.7173000000e-03  1.7642000000e-03 -3.2501000000e-03 -1.7529000000e-03  2.6287000000e-03 -3.8440000000e-04  3.1655000000e-03 -5.3582000000e-03 -4.4687000000e-03  8.5528000000e-03  2.9117000000e-03  1.5934000000e-03 -3.6577000000e-03  1.5484000000e-03  2.3713000000e-03 -2.5904000000e-03
+
+JOB 27
+COORDS -7.9933500000e-01 -8.5439400000e-01 -1.0275170000e+00 -1.1279200000e-01 -5.8722300000e-01 -1.6386730000e+00 -6.2876900000e-01 -3.4307200000e-01 -2.3651200000e-01  7.4577900000e-01  8.4071500000e-01  9.5984800000e-01  1.4115000000e+00  2.0631700000e-01  1.2255280000e+00  1.6719100000e-01  9.1354500000e-01  1.7189030000e+00
+ENERGY -1.526595103979e+02
+FORCES  6.8783000000e-03  7.6819000000e-03  3.4649000000e-03 -2.2582000000e-03 -2.2786000000e-03  7.1590000000e-04 -5.7498000000e-03 -5.5947000000e-03 -2.4926000000e-03  3.1923000000e-03 -9.3500000000e-04  5.1181000000e-03 -3.8493000000e-03  3.0691000000e-03 -1.5955000000e-03  1.7869000000e-03 -1.9428000000e-03 -5.2109000000e-03
+
+JOB 28
+COORDS  1.4585020000e+00  3.2085900000e-01 -3.9769100000e-01  1.3431020000e+00  1.1806250000e+00 -8.0231200000e-01  5.9032800000e-01 -8.0511000000e-02 -4.3521300000e-01 -1.3832750000e+00 -3.9601100000e-01  4.6977500000e-01 -1.6517450000e+00 -5.3564700000e-01 -4.3833100000e-01 -1.3968580000e+00  5.5465800000e-01  5.8057200000e-01
+ENERGY -1.526559639627e+02
+FORCES -6.7392000000e-03 -9.8200000000e-04  9.7490000000e-04 -9.6140000000e-04 -3.2349000000e-03  2.0560000000e-03  5.5455000000e-03  3.9269000000e-03 -5.0548000000e-03 -4.3942000000e-03  3.7969000000e-03  3.3780000000e-04  5.3360000000e-03  1.4746000000e-03  4.0600000000e-03  1.2134000000e-03 -4.9815000000e-03 -2.3738000000e-03
+
+JOB 29
+COORDS -1.5407800000e-01  5.7354600000e-01  1.3887720000e+00 -5.8200700000e-01  1.4021150000e+00  1.6046050000e+00  4.8114900000e-01  8.0121900000e-01  7.0988800000e-01  2.0369000000e-01 -6.5663800000e-01 -1.3864100000e+00 -3.4043200000e-01  1.0859200000e-01 -1.5723840000e+00 -2.9604000000e-01 -1.1550180000e+00 -7.3978800000e-01
+ENERGY -1.526579185859e+02
+FORCES  3.2419000000e-03  3.2528000000e-03 -2.2671000000e-03  1.6531000000e-03 -3.4494000000e-03 -2.2358000000e-03 -4.5471000000e-03  1.0873000000e-03  4.3246000000e-03 -6.9288000000e-03 -3.6610000000e-04  3.8738000000e-03  3.7166000000e-03 -1.5643000000e-03  9.4840000000e-04  2.8642000000e-03  1.0397000000e-03 -4.6439000000e-03
+
+JOB 30
+COORDS -1.1961260000e+00 -2.6786000000e-02  9.3471600000e-01 -9.3682900000e-01 -1.8685900000e-01  2.7316000000e-02 -2.1331700000e+00  1.6262200000e-01  8.8669300000e-01  1.2009050000e+00  7.5135000000e-02 -8.8522500000e-01  2.0297060000e+00 -3.0351000000e-02 -4.1811400000e-01  1.0205130000e+00 -7.9025700000e-01 -1.2523600000e+00
+ENERGY -1.526558063162e+02
+FORCES  1.3768000000e-03  1.7916000000e-03 -5.2314000000e-03 -5.5755000000e-03 -3.2034000000e-03  3.1965000000e-03  4.1050000000e-03 -6.2110000000e-04 -5.4460000000e-04  5.1550000000e-03 -2.6589000000e-03  3.2433000000e-03 -2.7607000000e-03  1.8260000000e-04 -3.3661000000e-03 -2.3006000000e-03  4.5092000000e-03  2.7024000000e-03
+
+JOB 31
+COORDS -2.5517700000e-01  9.0194400000e-01 -1.1147320000e+00 -8.3639000000e-02  1.8435120000e+00 -1.0987310000e+00 -3.9655700000e-01  6.9944600000e-01 -2.0395230000e+00  2.8741900000e-01 -9.3811900000e-01  1.2197470000e+00 -1.2720600000e-01 -1.7093380000e+00  8.3304500000e-01  9.9831000000e-02 -2.3029900000e-01  6.0327800000e-01
+ENERGY -1.526607394797e+02
+FORCES  4.5450000000e-04  1.9415000000e-03 -4.2063000000e-03 -8.5350000000e-04 -4.4913000000e-03 -5.8570000000e-04  4.4500000000e-04  1.9668000000e-03  3.7540000000e-03 -3.1890000000e-03  2.9336000000e-03 -8.3234000000e-03  1.4156000000e-03  1.7018000000e-03  1.4159000000e-03  1.7274000000e-03 -4.0525000000e-03  7.9454000000e-03
+
+JOB 32
+COORDS -1.3648090000e+00  4.1473400000e-01 -6.7235600000e-01 -5.5678300000e-01  1.1477000000e-02 -3.5500800000e-01 -1.3874550000e+00  1.2726350000e+00 -2.4841500000e-01  1.3284210000e+00 -3.8076500000e-01  6.3595200000e-01  1.4117980000e+00 -9.0637800000e-01 -1.5966800000e-01  1.0511440000e+00 -1.0040710000e+00  1.3073970000e+00
+ENERGY -1.526588581353e+02
+FORCES  7.5143000000e-03  2.5538000000e-03  5.9189000000e-03 -5.9926000000e-03 -2.1248000000e-03 -5.6429000000e-03 -1.2292000000e-03 -2.5765000000e-03 -1.7560000000e-03  3.4329000000e-03 -5.4389000000e-03  1.7155000000e-03 -4.2755000000e-03  4.0964000000e-03  3.9728000000e-03  5.5000000000e-04  3.4900000000e-03 -4.2083000000e-03
+
+JOB 33
+COORDS  3.3094900000e-01 -1.5176640000e+00 -1.5555000000e-01 -5.8679500000e-01 -1.2679590000e+00 -4.7732000000e-02  7.3203600000e-01 -1.3299000000e+00  6.9304100000e-01 -3.3673300000e-01  1.5325910000e+00  6.8498000000e-02 -1.6986900000e-01  1.5696990000e+00  1.0103100000e+00  1.5558400000e-01  7.6889800000e-01 -2.3254600000e-01
+ENERGY -1.526571095038e+02
+FORCES -3.9800000000e-03 -2.0420000000e-03  4.9030000000e-03  6.3756000000e-03  3.7690000000e-04 -9.3470000000e-04 -1.7746000000e-03  1.8321000000e-03 -4.8200000000e-03  4.8514000000e-03 -3.8786000000e-03  6.6710000000e-04 -8.7460000000e-04 -1.5823000000e-03 -3.5535000000e-03 -4.5979000000e-03  5.2939000000e-03  3.7382000000e-03
+
+JOB 34
+COORDS -1.2281130000e+00  5.0349000000e-01  8.1103200000e-01 -6.3284000000e-01  2.3454100000e-01  1.1135400000e-01 -1.8292160000e+00 -2.3460300000e-01  9.1165700000e-01  1.1737320000e+00 -4.8519400000e-01 -7.7118700000e-01  1.7919790000e+00 -1.1317900000e-01 -1.4221300000e-01  1.5325520000e+00 -2.5157800000e-01 -1.6272850000e+00
+ENERGY -1.526616077509e+02
+FORCES  3.3721000000e-03 -5.5017000000e-03 -5.1026000000e-03 -6.7320000000e-03  4.0032000000e-03  6.0425000000e-03  1.8455000000e-03  2.4254000000e-03 -3.3840000000e-04  6.0702000000e-03  1.5245000000e-03 -1.0126000000e-03 -3.3059000000e-03 -1.5033000000e-03 -3.9018000000e-03 -1.2499000000e-03 -9.4810000000e-04  4.3128000000e-03
+
+JOB 35
+COORDS  1.1523710000e+00 -2.1869200000e-01  8.9797000000e-01  1.1542200000e+00 -8.9554200000e-01  1.5748020000e+00  1.7158260000e+00  4.7169000000e-01  1.2474330000e+00 -1.1775980000e+00  2.0931700000e-01 -1.0212220000e+00 -6.4152800000e-01 -1.9764100000e-01 -3.4060000000e-01 -1.8332020000e+00  7.1445300000e-01 -5.4033500000e-01
+ENERGY -1.526594586805e+02
+FORCES  4.4537000000e-03  2.3750000000e-03  3.2435000000e-03 -9.9810000000e-04  3.4711000000e-03 -3.3688000000e-03 -2.0319000000e-03 -3.9606000000e-03 -3.4720000000e-04  4.1902000000e-03  2.5290000000e-04  6.8752000000e-03 -7.7114000000e-03 -5.9520000000e-04 -4.8560000000e-03  2.0974000000e-03 -1.5432000000e-03 -1.5466000000e-03
+
+JOB 36
+COORDS  7.6885900000e-01 -7.5544200000e-01  1.0577940000e+00  6.3871400000e-01 -1.6766580000e+00  8.3272500000e-01  1.7009230000e+00 -6.0035600000e-01  9.0470200000e-01 -8.7326500000e-01  7.8243000000e-01 -1.0435580000e+00 -4.4978100000e-01  1.5851940000e+00 -1.3476350000e+00 -1.7896000000e-01  3.0001800000e-01 -5.9472600000e-01
+ENERGY -1.526592894009e+02
+FORCES  3.5423000000e-03 -5.3272000000e-03  2.7416000000e-03  9.3280000000e-04  5.3499000000e-03  2.1150000000e-04 -5.4475000000e-03  6.8000000000e-05 -8.6590000000e-04  5.4845000000e-03 -1.0200000000e-03  5.2729000000e-03 -7.7030000000e-04 -3.0117000000e-03  1.2834000000e-03 -3.7419000000e-03  3.9409000000e-03 -8.6435000000e-03
+
+JOB 37
+COORDS  1.4837430000e+00  2.8006000000e-02  3.9939400000e-01  1.0086220000e+00 -7.9663600000e-01  5.0165800000e-01  1.7479290000e+00  2.6461300000e-01  1.2884690000e+00 -1.5295890000e+00 -1.3013000000e-02 -4.5345000000e-01 -1.2650110000e+00  7.3786200000e-01 -9.8488000000e-01 -7.1049200000e-01 -3.5195600000e-01 -9.2299000000e-02
+ENERGY -1.526534756817e+02
+FORCES  1.3066000000e-03 -1.9791000000e-03  5.8303000000e-03 -4.3257000000e-03  6.5839000000e-03 -2.8748000000e-03 -9.8140000000e-04 -1.3022000000e-03 -4.5577000000e-03  8.1514000000e-03  5.1051000000e-03 -7.7200000000e-04 -3.2106000000e-03 -2.6743000000e-03  1.1563000000e-03 -9.4030000000e-04 -5.7334000000e-03  1.2179000000e-03
+
+JOB 38
+COORDS -9.8434400000e-01 -9.6035400000e-01 -7.4838000000e-01 -1.7360640000e+00 -1.3138810000e+00 -2.7280900000e-01 -4.1053600000e-01 -6.1244600000e-01 -6.5785000000e-02  9.8113000000e-01  1.0278570000e+00  6.6177700000e-01  1.4192000000e+00  3.8545400000e-01  1.0352600000e-01  8.3517100000e-01  5.6765800000e-01  1.4883030000e+00
+ENERGY -1.526543548448e+02
+FORCES -7.0630000000e-04  3.8570000000e-03  5.0475000000e-03  3.3201000000e-03  1.6094000000e-03 -1.3355000000e-03  4.1160000000e-04 -6.4395000000e-03 -2.3331000000e-03  4.7123000000e-03 -1.1236000000e-03  1.0156000000e-03 -5.9429000000e-03  1.5298000000e-03  3.6331000000e-03 -1.7949000000e-03  5.6690000000e-04 -6.0276000000e-03
+
+JOB 39
+COORDS -7.2237200000e-01  1.0601970000e+00 -8.9759300000e-01 -4.1944200000e-01  2.1835600000e-01 -5.5734600000e-01 -9.4848600000e-01  8.8269200000e-01 -1.8106080000e+00  6.7195100000e-01 -1.0267170000e+00  8.9903200000e-01  1.5692120000e+00 -8.1454000000e-01  6.4186300000e-01  6.0666400000e-01 -7.3222900000e-01  1.8074620000e+00
+ENERGY -1.526610131726e+02
+FORCES  1.1418000000e-03 -6.3885000000e-03  1.2894000000e-03 -3.1175000000e-03  7.1461000000e-03 -6.6621000000e-03  1.3970000000e-03 -3.0000000000e-05  3.3428000000e-03  4.2615000000e-03  1.9846000000e-03  5.4189000000e-03 -4.7795000000e-03 -8.8980000000e-04  6.7690000000e-04  1.0967000000e-03 -1.8224000000e-03 -4.0658000000e-03
+
+JOB 40
+COORDS -8.2451600000e-01  1.2634490000e+00  8.1580000000e-03 -1.4471110000e+00  1.3938660000e+00  7.2341900000e-01 -1.3698710000e+00  1.1979130000e+00 -7.7575800000e-01  9.0684900000e-01 -1.3321980000e+00 -1.5348000000e-02  3.1700700000e-01 -8.2030200000e-01 -5.6877500000e-01  1.1446820000e+00 -7.3768700000e-01  6.9614500000e-01
+ENERGY -1.526577329400e+02
+FORCES -5.6562000000e-03  1.2072000000e-03  1.0045000000e-03  2.9204000000e-03 -2.3840000000e-04 -3.3549000000e-03  3.4303000000e-03 -1.3754000000e-03  3.5008000000e-03 -3.7391000000e-03  9.4440000000e-03  1.6463000000e-03  1.9106000000e-03 -5.0223000000e-03 -1.9850000000e-03  1.1340000000e-03 -4.0151000000e-03 -8.1170000000e-04
+
+JOB 41
+COORDS -3.2918000000e-02  2.4597200000e-01 -1.5463840000e+00  2.9840000000e-01  9.2969200000e-01 -2.1286090000e+00  1.1419900000e-01  5.8921600000e-01 -6.6503800000e-01  1.8182000000e-02 -2.4227500000e-01  1.5256370000e+00  5.8752000000e-01 -9.6050700000e-01  1.8017330000e+00 -7.9640600000e-01 -6.6979500000e-01  1.2612440000e+00
+ENERGY -1.526601612781e+02
+FORCES  2.5014000000e-03  3.3182000000e-03  3.9932000000e-03 -8.0410000000e-04 -2.3314000000e-03  2.7733000000e-03 -2.3440000000e-03  2.0430000000e-04 -8.5503000000e-03 -7.3420000000e-04 -6.9864000000e-03  1.0952000000e-03 -2.8420000000e-03  2.9558000000e-03 -5.0750000000e-04  4.2229000000e-03  2.8396000000e-03  1.1962000000e-03
+
+JOB 42
+COORDS -1.3761830000e+00 -4.8954400000e-01 -6.9457500000e-01 -1.1065960000e+00 -1.0179600000e+00  5.6644000000e-02 -1.9790010000e+00  1.5775200000e-01 -3.2872000000e-01  1.3816040000e+00  4.3434300000e-01  6.5701500000e-01  1.0250450000e+00  6.6147400000e-01 -2.0176800000e-01  1.9949170000e+00  1.1415370000e+00  8.5690100000e-01
+ENERGY -1.526587229991e+02
+FORCES -1.9055000000e-03 -8.5180000000e-04  6.3912000000e-03 -2.3788000000e-03  1.9370000000e-03 -4.3257000000e-03  2.5991000000e-03 -2.2406000000e-03 -1.9823000000e-03  3.7760000000e-04  3.0227000000e-03 -4.0474000000e-03  4.2400000000e-03  5.4510000000e-04  5.1709000000e-03 -2.9324000000e-03 -2.4123000000e-03 -1.2067000000e-03
+
+JOB 43
+COORDS -9.6462500000e-01 -1.2920020000e+00  4.2720100000e-01 -7.0570800000e-01 -6.9332800000e-01 -2.7335900000e-01 -1.1687630000e+00 -7.2087400000e-01  1.1677230000e+00  9.7555700000e-01  1.1692480000e+00 -4.3243500000e-01  3.9721700000e-01  1.6943370000e+00 -9.8564100000e-01  1.3062830000e+00  1.7850220000e+00  2.2153400000e-01
+ENERGY -1.526564563107e+02
+FORCES  4.2130000000e-03  7.2448000000e-03 -1.1480000000e-04 -5.1056000000e-03 -3.8985000000e-03  6.4410000000e-04 -4.6360000000e-04 -2.5562000000e-03 -1.8302000000e-03  1.8850000000e-03  5.7029000000e-03  1.3164000000e-03  1.2599000000e-03 -4.1225000000e-03  3.1449000000e-03 -1.7886000000e-03 -2.3706000000e-03 -3.1603000000e-03
+
+JOB 44
+COORDS -1.5577090000e+00  4.5625800000e-01 -3.8210600000e-01 -6.4824800000e-01  6.5601400000e-01 -1.6027000000e-01 -2.0738710000e+00  9.4111700000e-01  2.6188100000e-01  1.5142830000e+00 -5.0128000000e-01  2.7194600000e-01  2.3771270000e+00 -3.1322500000e-01  6.4122500000e-01  9.3110400000e-01 -5.3598100000e-01  1.0301880000e+00
+ENERGY -1.526563006920e+02
+FORCES  2.9583000000e-03  3.0603000000e-03  9.9140000000e-04 -7.0411000000e-03 -6.5540000000e-04  2.0871000000e-03  2.7275000000e-03 -2.3842000000e-03 -2.0195000000e-03  3.4314000000e-03 -2.1616000000e-03  4.8330000000e-03 -4.1206000000e-03 -1.0730000000e-03 -1.3922000000e-03  2.0446000000e-03  3.2139000000e-03 -4.4999000000e-03
+
+JOB 45
+COORDS  1.4190490000e+00  3.5631800000e-01 -7.5442200000e-01  1.1172440000e+00  8.1308800000e-01 -1.5396010000e+00  1.3931750000e+00 -5.7076500000e-01 -9.9123200000e-01 -1.4026730000e+00 -3.8925900000e-01  8.3174300000e-01 -8.2546500000e-01  3.1326800000e-01  1.1309400000e+00 -1.9441400000e+00  1.6886000000e-02  1.5491900000e-01
+ENERGY -1.526560955287e+02
+FORCES -1.7774000000e-03 -4.0393000000e-03 -4.1094000000e-03  5.7010000000e-04 -1.5428000000e-03  3.5325000000e-03  1.3433000000e-03  4.3831000000e-03 -8.9000000000e-06  3.0372000000e-03  5.7422000000e-03 -2.2187000000e-03 -4.8152000000e-03 -2.7058000000e-03  6.2990000000e-04  1.6419000000e-03 -1.8375000000e-03  2.1745000000e-03
+
+JOB 46
+COORDS  4.6569700000e-01  1.4080490000e+00  7.9029800000e-01  1.1815400000e+00  1.9869500000e+00  5.2824000000e-01  8.0744300000e-01  5.2504300000e-01  6.4978800000e-01 -5.4739400000e-01 -1.3253820000e+00 -7.7789200000e-01  2.8425400000e-01 -1.6570460000e+00 -4.3937600000e-01 -1.0673460000e+00 -2.1107230000e+00 -9.4854300000e-01
+ENERGY -1.526523457156e+02
+FORCES  2.6622000000e-03 -2.1812000000e-03 -3.1030000000e-03 -2.9665000000e-03 -2.4643000000e-03  1.0715000000e-03  1.1602000000e-03  2.7094000000e-03  1.7293000000e-03 -4.5080000000e-04 -5.6259000000e-03  5.3000000000e-05 -2.7172000000e-03  4.0065000000e-03 -2.0580000000e-04  2.3122000000e-03  3.5555000000e-03  4.5510000000e-04
+
+JOB 47
+COORDS -5.6623000000e-02 -3.8959600000e-01 -1.6482770000e+00  1.9252700000e-01 -8.9237300000e-01 -8.7279500000e-01  5.9716000000e-01 -6.2442700000e-01 -2.3068010000e+00 -4.7814000000e-02  4.0554800000e-01  1.6912390000e+00  4.4364600000e-01 -8.5793000000e-02  1.0329970000e+00  2.7571000000e-01  1.3029190000e+00  1.6119370000e+00
+ENERGY -1.526518204354e+02
+FORCES  2.3574000000e-03 -4.2809000000e-03 -9.6870000000e-04  1.0714000000e-03  4.3854000000e-03 -2.6830000000e-04 -3.0117000000e-03  1.4446000000e-03  3.2736000000e-03  2.9688000000e-03  4.0238000000e-03 -4.4825000000e-03 -2.2457000000e-03 -1.7984000000e-03  8.5150000000e-04 -1.1401000000e-03 -3.7745000000e-03  1.5945000000e-03
+
+JOB 48
+COORDS  8.4172500000e-01  1.1363600000e+00  9.9787300000e-01  1.1369380000e+00  1.0974960000e+00  1.9075820000e+00  1.1715370000e+00  3.2878000000e-01  6.0382800000e-01 -9.3689900000e-01 -1.0978330000e+00 -9.9588300000e-01 -2.9854700000e-01 -1.6826430000e+00 -1.4042170000e+00 -6.0006300000e-01 -2.1824600000e-01 -1.1664680000e+00
+ENERGY -1.526549833435e+02
+FORCES  1.6681000000e-03 -4.3530000000e-03  3.8890000000e-03 -7.6710000000e-04  2.3260000000e-04 -3.7469000000e-03 -7.3740000000e-04  4.4328000000e-03 -1.3890000000e-04  1.7441000000e-03  2.3664000000e-03 -2.9895000000e-03 -1.8626000000e-03  2.8447000000e-03  2.7471000000e-03 -4.5000000000e-05 -5.5235000000e-03  2.3910000000e-04
+
+JOB 49
+COORDS  1.7435400000e+00  2.8772100000e-01  3.6407800000e-01  1.3715220000e+00 -5.9406200000e-01  3.4693000000e-01  1.0666260000e+00  8.4138800000e-01 -2.5116000000e-02 -1.6561490000e+00 -3.1232300000e-01 -3.8001100000e-01 -1.6666150000e+00 -3.2365200000e-01  5.7706500000e-01 -2.1417060000e+00  4.7811000000e-01 -6.1598300000e-01
+ENERGY -1.526569062481e+02
+FORCES -5.7497000000e-03 -2.2652000000e-03 -3.8114000000e-03  2.6152000000e-03  2.9838000000e-03  1.8652000000e-03  3.8699000000e-03 -1.3840000000e-04  2.6964000000e-03 -4.7874000000e-03  2.4790000000e-03  2.7425000000e-03  1.2134000000e-03  1.3630000000e-04 -4.7157000000e-03  2.8387000000e-03 -3.1956000000e-03  1.2229000000e-03
+
+JOB 50
+COORDS  8.7969100000e-01  1.4388160000e+00  6.7681900000e-01  9.3513000000e-02  1.2502770000e+00  1.1892730000e+00  5.5703900000e-01  1.5861360000e+00 -2.1223900000e-01 -8.0394600000e-01 -1.4935280000e+00 -6.2122300000e-01 -1.3696790000e+00 -1.3934920000e+00 -1.3868410000e+00 -4.6796500000e-01 -6.1289600000e-01 -4.5438400000e-01
+ENERGY -1.526537540179e+02
+FORCES -3.1686000000e-03  2.8234000000e-03  4.3950000000e-04  3.6954000000e-03 -1.3850000000e-04 -4.0958000000e-03  4.6030000000e-04 -3.4042000000e-03  4.0138000000e-03  3.8080000000e-04  3.1315000000e-03 -2.2896000000e-03  2.6013000000e-03  1.6890000000e-04  3.3975000000e-03 -3.9693000000e-03 -2.5811000000e-03 -1.4654000000e-03
+
+JOB 51
+COORDS  7.6022100000e-01 -1.2614200000e+00 -1.0383120000e+00  2.3330700000e-01 -1.5985300000e+00 -1.7628460000e+00  7.6566200000e-01 -3.1286600000e-01 -1.1665580000e+00 -7.4375900000e-01  1.2887090000e+00  1.0957570000e+00  1.2072700000e-01  8.8008800000e-01  1.1396410000e+00 -1.3414940000e+00  5.6582000000e-01  9.0503500000e-01
+ENERGY -1.526564014905e+02
+FORCES -1.6341000000e-03  2.0832000000e-03 -5.3404000000e-03  2.0756000000e-03  1.4238000000e-03  3.2322000000e-03  1.4460000000e-04 -4.6183000000e-03  2.0743000000e-03  7.9430000000e-04 -6.1387000000e-03  1.1589000000e-03 -3.1182000000e-03  3.2421000000e-03 -1.4859000000e-03  1.7378000000e-03  4.0079000000e-03  3.6080000000e-04
+
+JOB 52
+COORDS  1.0072290000e+00  1.1529440000e+00  1.0406560000e+00  1.7892900000e-01  9.0516700000e-01  1.4514560000e+00  1.5481730000e+00  3.6527200000e-01  1.0970850000e+00 -1.0113940000e+00 -1.1035000000e+00 -1.1321070000e+00 -3.4161200000e-01 -1.5389110000e+00 -6.0481200000e-01 -1.3041530000e+00 -3.7049000000e-01 -5.9060800000e-01
+ENERGY -1.526529256273e+02
+FORCES  2.9610000000e-04 -3.2977000000e-03  2.6222000000e-03  2.7774000000e-03  2.4760000000e-04 -3.2365000000e-03 -3.0684000000e-03  2.9080000000e-03 -4.3730000000e-04  2.4728000000e-03  2.6328000000e-03  3.6051000000e-03 -2.7328000000e-03  1.3578000000e-03 -1.4457000000e-03  2.5500000000e-04 -3.8485000000e-03 -1.1078000000e-03
+
+JOB 53
+COORDS -7.9877900000e-01  1.1969460000e+00 -1.0064490000e+00 -1.6131870000e+00  1.3678510000e+00 -5.3341300000e-01 -7.6308600000e-01  1.8790380000e+00 -1.6770520000e+00  7.8036700000e-01 -1.2533970000e+00  1.0400610000e+00  1.0727550000e+00 -9.9124900000e-01  1.6712400000e-01  1.5892210000e+00 -1.4183210000e+00  1.5246100000e+00
+ENERGY -1.526557976882e+02
+FORCES -4.3616000000e-03  3.5495000000e-03  2.9860000000e-04  3.0685000000e-03  6.3600000000e-05 -2.8172000000e-03  1.2220000000e-04 -2.9188000000e-03  2.8218000000e-03  3.7190000000e-03  1.7263000000e-03 -2.9083000000e-03  6.0040000000e-04 -3.1465000000e-03  4.4675000000e-03 -3.1484000000e-03  7.2580000000e-04 -1.8623000000e-03
+
+JOB 54
+COORDS -4.9707000000e-02  2.0870000000e-02 -1.7509270000e+00 -8.9553300000e-01 -2.1945700000e-01 -2.1291500000e+00  5.7995700000e-01 -1.2983200000e-01 -2.4559410000e+00  7.4068000000e-02 -2.9711000000e-02  1.8836130000e+00 -4.8657700000e-01 -3.1539600000e-01  1.1622990000e+00  4.6547200000e-01  7.8721300000e-01  1.5743080000e+00
+ENERGY -1.526570276725e+02
+FORCES  2.8470000000e-04 -1.8021000000e-03 -5.9511000000e-03  3.5440000000e-03  8.7460000000e-04  2.3151000000e-03 -3.0505000000e-03  8.3900000000e-04  2.5882000000e-03 -2.5700000000e-05  2.1381000000e-03 -6.8929000000e-03  3.9830000000e-04  4.2420000000e-04  5.1045000000e-03 -1.1509000000e-03 -2.4738000000e-03  2.8361000000e-03
+
+JOB 55
+COORDS  1.3328980000e+00  2.7100700000e-01  1.2610140000e+00  2.0987150000e+00  8.4462700000e-01  1.2877980000e+00  1.0362550000e+00  3.0903400000e-01  3.5173500000e-01 -1.3189900000e+00 -2.4957100000e-01 -1.2025930000e+00 -1.3728420000e+00 -1.0288420000e+00 -6.4935900000e-01 -1.9461310000e+00 -4.1175200000e-01 -1.9073070000e+00
+ENERGY -1.526573059821e+02
+FORCES  1.1104000000e-03  3.2221000000e-03 -4.4029000000e-03 -2.8122000000e-03 -2.1823000000e-03 -6.5100000000e-05  3.0649000000e-03 -1.0468000000e-03  5.5162000000e-03 -4.5147000000e-03 -3.9349000000e-03 -1.1086000000e-03  8.2760000000e-04  3.5632000000e-03 -3.0338000000e-03  2.3240000000e-03  3.7870000000e-04  3.0942000000e-03
+
+JOB 56
+COORDS -2.5154300000e-01  1.7403830000e+00  4.9589400000e-01  2.1762100000e-01  2.1330430000e+00  1.2320560000e+00 -1.1695200000e+00  1.7437770000e+00  7.6707500000e-01  2.2415100000e-01 -1.7774620000e+00 -6.0498700000e-01  4.7541700000e-01 -2.3182220000e+00  1.4379600000e-01  6.7948500000e-01 -9.4722100000e-01 -4.6497900000e-01
+ENERGY -1.526566360179e+02
+FORCES -3.5646000000e-03  2.6195000000e-03  4.0656000000e-03 -1.7350000000e-03 -2.2109000000e-03 -3.1097000000e-03  4.1701000000e-03  6.4420000000e-04 -6.7200000000e-04  2.5670000000e-03  3.1863000000e-03  3.6468000000e-03 -1.0141000000e-03  1.8853000000e-03 -2.7336000000e-03 -4.2340000000e-04 -6.1244000000e-03 -1.1971000000e-03
+
+JOB 57
+COORDS  1.2244820000e+00 -2.6368600000e-01 -1.3227710000e+00  1.6943610000e+00 -7.7567600000e-01 -6.6450700000e-01  1.6357870000e+00 -5.0471700000e-01 -2.1528100000e+00 -1.3282820000e+00  3.2299000000e-01  1.2952090000e+00 -1.2062320000e+00 -5.1561300000e-01  1.7402720000e+00 -5.1555300000e-01  8.0168500000e-01  1.4581660000e+00
+ENERGY -1.526530699971e+02
+FORCES  3.1502000000e-03 -3.4338000000e-03 -1.4906000000e-03 -1.9679000000e-03  2.5140000000e-03 -2.0166000000e-03 -1.7945000000e-03  9.7910000000e-04  3.5697000000e-03  4.3593000000e-03 -1.1543000000e-03  7.1500000000e-04 -2.9690000000e-04  3.2255000000e-03 -1.5273000000e-03 -3.4502000000e-03 -2.1305000000e-03  7.4980000000e-04
+
+JOB 58
+COORDS  1.6606460000e+00  7.1691000000e-02 -9.7536200000e-01  1.1556750000e+00  2.5123100000e-01 -1.8226700000e-01  1.8342780000e+00  9.3527000000e-01 -1.3499500000e+00 -1.6467600000e+00 -1.6756200000e-01  9.0281500000e-01 -1.7465780000e+00  7.8241400000e-01  8.4105900000e-01 -1.4596610000e+00 -3.2960600000e-01  1.8274590000e+00
+ENERGY -1.526548024516e+02
+FORCES -2.8407000000e-03  3.1742000000e-03  1.9142000000e-03  4.4828000000e-03  7.8580000000e-04 -3.1830000000e-03 -8.4990000000e-04 -3.2505000000e-03  1.6249000000e-03 -2.5614000000e-03  2.3391000000e-03  3.9589000000e-03  1.8217000000e-03 -4.1253000000e-03  1.2850000000e-04 -5.2700000000e-05  1.0767000000e-03 -4.4434000000e-03
+
+JOB 59
+COORDS  1.2502530000e+00 -2.5045800000e-01  1.3760190000e+00  2.0539150000e+00 -4.6511000000e-02  8.9772500000e-01  1.2053900000e+00  4.1350500000e-01  2.0640390000e+00 -1.2935690000e+00  2.4563400000e-01 -1.3470690000e+00 -9.3253800000e-01 -6.3653800000e-01 -1.2595420000e+00 -1.6724180000e+00  2.6379000000e-01 -2.2259180000e+00
+ENERGY -1.526547931265e+02
+FORCES  2.4122000000e-03  4.9186000000e-03  8.8480000000e-04 -3.0544000000e-03 -1.3535000000e-03  1.9271000000e-03  7.8410000000e-04 -2.9472000000e-03 -2.3628000000e-03  3.9400000000e-04 -4.2489000000e-03 -1.9466000000e-03 -2.2670000000e-03  3.5374000000e-03 -2.1119000000e-03  1.7311000000e-03  9.3600000000e-05  3.6094000000e-03
+
+JOB 60
+COORDS  3.0420500000e-01  1.6048510000e+00  9.9420500000e-01 -4.6376300000e-01  2.0607310000e+00  6.4977700000e-01  1.4197700000e-01  1.5386360000e+00  1.9352310000e+00 -2.9633500000e-01 -1.5902430000e+00 -1.0404040000e+00  4.7096700000e-01 -1.4329410000e+00 -4.9019000000e-01 -1.7772400000e-01 -2.4816050000e+00 -1.3684830000e+00
+ENERGY -1.526556511100e+02
+FORCES -4.8701000000e-03  2.0857000000e-03  1.8664000000e-03  3.4230000000e-03 -1.1751000000e-03  2.0343000000e-03  9.2910000000e-04  6.2900000000e-05 -3.8081000000e-03  4.2134000000e-03 -1.8049000000e-03  1.3945000000e-03 -3.1869000000e-03 -2.7449000000e-03 -2.8989000000e-03 -5.0840000000e-04  3.5763000000e-03  1.4118000000e-03
+
+JOB 61
+COORDS -9.1745400000e-01  7.4602400000e-01  1.5935830000e+00 -8.8297300000e-01  1.0996730000e+00  2.4823880000e+00 -2.7523100000e-01  1.2611190000e+00  1.1052610000e+00  8.7513400000e-01 -7.7839100000e-01 -1.5502020000e+00  2.4220600000e-01 -7.2827100000e-01 -2.2665270000e+00  1.7045810000e+00 -9.9235700000e-01 -1.9773670000e+00
+ENERGY -1.526544575445e+02
+FORCES  3.7152000000e-03  2.8252000000e-03  6.7280000000e-04 -1.4550000000e-04 -1.4691000000e-03 -3.5079000000e-03 -3.4344000000e-03 -7.9440000000e-04  3.0343000000e-03  2.7120000000e-04 -1.6639000000e-03 -4.8642000000e-03  3.0089000000e-03  5.3700000000e-05  2.7784000000e-03 -3.4155000000e-03  1.0486000000e-03  1.8866000000e-03
+
+JOB 62
+COORDS  7.6397400000e-01  5.2831700000e-01 -1.7886840000e+00  3.0065000000e-02 -8.2140000000e-02 -1.8590530000e+00  1.5315830000e+00  9.4980000000e-03 -2.0291730000e+00 -8.2780900000e-01 -4.5749300000e-01  1.7960310000e+00 -3.4182000000e-01 -1.2115460000e+00  1.4621880000e+00 -1.8149800000e-01  4.3377000000e-02  2.2936680000e+00
+ENERGY -1.526541439936e+02
+FORCES -8.8420000000e-04 -4.0721000000e-03 -1.5172000000e-03  3.7606000000e-03  2.0049000000e-03 -1.7050000000e-04 -3.1192000000e-03  1.9519000000e-03  1.5387000000e-03  5.4221000000e-03  1.2870000000e-04  4.1320000000e-04 -2.3490000000e-03  2.4843000000e-03  1.0328000000e-03 -2.8303000000e-03 -2.4977000000e-03 -1.2969000000e-03
+
+JOB 63
+COORDS -1.7053510000e+00  1.0061440000e+00  4.9845700000e-01 -1.4541710000e+00  1.9116300000e+00  3.1615400000e-01 -1.6580850000e+00  5.6823900000e-01 -3.5138900000e-01  1.6893560000e+00 -1.0771160000e+00 -4.9280400000e-01  2.3482450000e+00 -4.2123500000e-01 -2.6494900000e-01  1.0093540000e+00 -9.7559800000e-01  1.7317200000e-01
+ENERGY -1.526561409089e+02
+FORCES -1.5220000000e-04  2.7918000000e-03 -4.9203000000e-03 -8.5050000000e-04 -3.8436000000e-03  9.5710000000e-04  1.8360000000e-04  1.6301000000e-03  4.4179000000e-03  9.6900000000e-05  2.9212000000e-03  4.7106000000e-03 -2.5273000000e-03 -2.5486000000e-03 -1.2269000000e-03  3.2494000000e-03 -9.5090000000e-04 -3.9383000000e-03
+
+JOB 64
+COORDS -7.4868800000e-01  1.5415700000e+00 -1.0816190000e+00 -7.9617600000e-01  2.2637490000e+00 -4.5517400000e-01 -5.7012000000e-02  1.7980550000e+00 -1.6915640000e+00  7.4359300000e-01 -1.6553210000e+00  1.0892150000e+00  5.2053900000e-01 -1.0002430000e+00  1.7505410000e+00  3.8357100000e-01 -1.3057050000e+00  2.7411700000e-01
+ENERGY -1.526563803169e+02
+FORCES  2.0463000000e-03  5.5156000000e-03 -8.9740000000e-04  3.8470000000e-04 -3.3527000000e-03 -2.4246000000e-03 -2.9269000000e-03 -1.3442000000e-03  2.8497000000e-03 -3.3223000000e-03  4.7994000000e-03 -1.4101000000e-03  1.2660000000e-03 -2.6813000000e-03 -1.8504000000e-03  2.5522000000e-03 -2.9368000000e-03  3.7327000000e-03
+
+JOB 65
+COORDS -1.5392760000e+00  1.4740010000e+00 -3.9722500000e-01 -9.0772000000e-01  9.5523200000e-01 -8.9547000000e-01 -1.0994290000e+00  1.6543460000e+00  4.3358400000e-01  1.4938020000e+00 -1.5098090000e+00  4.1350000000e-01  2.1476430000e+00 -9.1659300000e-01  4.3609000000e-02  6.5315700000e-01 -1.1270140000e+00  1.6247200000e-01
+ENERGY -1.526528967074e+02
+FORCES  3.6230000000e-03  2.6600000000e-05  1.2288000000e-03 -2.0649000000e-03  1.0517000000e-03  3.0669000000e-03 -1.6569000000e-03 -1.4083000000e-03 -4.0729000000e-03 -3.5990000000e-04  2.9012000000e-03 -2.3405000000e-03 -3.4024000000e-03 -2.1888000000e-03  1.5612000000e-03  3.8611000000e-03 -3.8230000000e-04  5.5650000000e-04
+
+JOB 66
+COORDS  1.1540090000e+00  1.5212410000e+00  1.0577320000e+00  2.3397000000e-01  1.3238010000e+00  1.2331660000e+00  1.5127120000e+00  7.0458800000e-01  7.1039500000e-01 -1.1789510000e+00 -1.4565510000e+00 -1.0291310000e+00 -4.8311000000e-01 -1.9486630000e+00 -5.9339800000e-01 -7.9154900000e-01 -1.1761520000e+00 -1.8583040000e+00
+ENERGY -1.526546955760e+02
+FORCES -3.2214000000e-03 -4.1286000000e-03 -7.8740000000e-04  4.4501000000e-03  1.2076000000e-03 -1.5790000000e-04 -9.0810000000e-04  2.9648000000e-03  1.2269000000e-03  3.6353000000e-03 -1.8085000000e-03 -2.8777000000e-03 -2.5295000000e-03  2.9995000000e-03 -1.3047000000e-03 -1.4264000000e-03 -1.2348000000e-03  3.9007000000e-03
+
+JOB 67
+COORDS -6.5393900000e-01  4.6987800000e-01 -1.9641190000e+00 -9.7350100000e-01  1.0937830000e+00 -2.6159280000e+00  2.8088900000e-01  6.6074200000e-01 -1.8873160000e+00  6.4245100000e-01 -4.7191300000e-01  1.9667730000e+00  1.0472490000e+00 -1.2807440000e+00  2.2800840000e+00 -2.6986700000e-01 -5.3498000000e-01  2.2494910000e+00
+ENERGY -1.526546773517e+02
+FORCES  3.2320000000e-03  3.2673000000e-03 -1.5706000000e-03  1.1633000000e-03 -2.5333000000e-03  2.6683000000e-03 -4.0085000000e-03 -5.7310000000e-04 -1.4790000000e-03 -2.9499000000e-03 -3.6665000000e-03  2.0196000000e-03 -1.4578000000e-03  3.3280000000e-03 -1.2608000000e-03  4.0209000000e-03  1.7760000000e-04 -3.7740000000e-04
+
+JOB 68
+COORDS  1.7817280000e+00  1.0990210000e+00 -3.7333000000e-01  1.8611720000e+00  2.0524540000e+00 -3.4356200000e-01  2.4498090000e+00  7.8342000000e-01  2.3518900000e-01 -1.7963990000e+00 -1.1072990000e+00  2.8902000000e-01 -2.6220320000e+00 -1.5890510000e+00  2.3924600000e-01 -1.5446190000e+00 -1.1572430000e+00  1.2111610000e+00
+ENERGY -1.526528741204e+02
+FORCES  2.7256000000e-03  2.5897000000e-03  2.3096000000e-03 -2.2810000000e-04 -3.9339000000e-03 -1.0330000000e-04 -2.8417000000e-03  1.2209000000e-03 -2.3156000000e-03 -1.7662000000e-03 -1.8703000000e-03  3.5729000000e-03  3.4264000000e-03  2.0692000000e-03  6.8800000000e-05 -1.3160000000e-03 -7.5700000000e-05 -3.5324000000e-03
+
+JOB 69
+COORDS  2.2970660000e+00 -5.9975000000e-02 -3.7273000000e-01  1.7816310000e+00  2.6214600000e-01 -1.1121870000e+00  1.6526000000e+00 -2.2376300000e-01  3.1579700000e-01 -2.2746460000e+00  2.6122000000e-02  3.2402100000e-01 -2.4562260000e+00  3.6825000000e-01  1.1993550000e+00 -1.3216820000e+00  6.6333000000e-02  2.4355600000e-01
+ENERGY -1.526527108676e+02
+FORCES -3.6983000000e-03  3.3650000000e-04 -6.9560000000e-04  1.7228000000e-03 -1.4150000000e-03  3.8803000000e-03  1.5540000000e-03  1.2143000000e-03 -3.1133000000e-03  2.2962000000e-03  1.7298000000e-03  3.6035000000e-03  1.0004000000e-03 -1.5631000000e-03 -3.8488000000e-03 -2.8751000000e-03 -3.0240000000e-04  1.7390000000e-04
+
+JOB 70
+COORDS -5.1826400000e-01  1.5162940000e+00 -1.5928100000e+00 -1.4711100000e+00  1.5932410000e+00 -1.6417390000e+00 -2.6573000000e-01  2.1085040000e+00 -8.8447000000e-01  6.0549600000e-01 -1.5176530000e+00  1.5456800000e+00  3.3692000000e-02 -1.8968510000e+00  8.7823600000e-01  2.5321400000e-01 -1.8405020000e+00  2.3750760000e+00
+ENERGY -1.526544214125e+02
+FORCES -2.2431000000e-03  2.9624000000e-03  3.2146000000e-03  3.7682000000e-03 -6.0030000000e-04  1.7920000000e-04 -1.4188000000e-03 -1.9903000000e-03 -3.3387000000e-03 -3.6488000000e-03 -2.9547000000e-03 -1.4330000000e-04  2.1869000000e-03  1.0766000000e-03  3.4211000000e-03  1.3557000000e-03  1.5063000000e-03 -3.3329000000e-03
+
+JOB 71
+COORDS  1.6118000000e-02  2.1301930000e+00 -8.4668500000e-01  3.4041300000e-01  3.0198160000e+00 -7.0655900000e-01  4.8042600000e-01  1.6006170000e+00 -1.9845700000e-01 -6.6443000000e-02 -2.1008450000e+00  8.5376600000e-01 -6.2618000000e-01 -2.3130240000e+00  1.0683400000e-01  6.5925100000e-01 -2.7221550000e+00  7.9398500000e-01
+ENERGY -1.526554028311e+02
+FORCES  3.0486000000e-03  9.2490000000e-04  3.7602000000e-03 -1.2328000000e-03 -3.5023000000e-03 -6.0690000000e-04 -1.5715000000e-03  3.1866000000e-03 -3.2534000000e-03  6.4600000000e-05 -3.9839000000e-03 -3.4550000000e-03  2.5643000000e-03  6.4810000000e-04  3.2789000000e-03 -2.8732000000e-03  2.7266000000e-03  2.7620000000e-04
+
+JOB 72
+COORDS -1.2817300000e+00 -3.7938900000e-01 -1.8640400000e+00 -1.5011440000e+00  1.0508000000e-02 -2.7102490000e+00 -1.7024200000e+00  1.9100000000e-01 -1.2206830000e+00  1.3005540000e+00  2.6368700000e-01  1.8513880000e+00  8.1284400000e-01  1.0843090000e+00  1.7810270000e+00  2.0864060000e+00  4.9332500000e-01  2.3473070000e+00
+ENERGY -1.526531117645e+02
+FORCES -2.4031000000e-03  3.6428000000e-03 -4.8750000000e-04  9.6220000000e-04 -1.5901000000e-03  3.4851000000e-03  1.5834000000e-03 -1.9388000000e-03 -2.7263000000e-03  1.5446000000e-03  4.1258000000e-03  1.4083000000e-03  1.5704000000e-03 -3.2892000000e-03  3.2420000000e-04 -3.2576000000e-03 -9.5050000000e-04 -2.0037000000e-03
+
+JOB 73
+COORDS  1.2180250000e+00 -1.9652440000e+00  5.4385800000e-01  1.6914840000e+00 -1.8045730000e+00  1.3601010000e+00  6.3553000000e-01 -1.2112720000e+00  4.5188800000e-01 -1.2734810000e+00  1.9084630000e+00 -5.8874100000e-01 -5.7539500000e-01  1.4428660000e+00 -1.2816800000e-01 -8.6561200000e-01  2.7232310000e+00 -8.8204800000e-01
+ENERGY -1.526528525787e+02
+FORCES -6.9060000000e-04  2.8823000000e-03  3.1217000000e-03 -2.0330000000e-03 -3.8840000000e-04 -3.6158000000e-03  2.7518000000e-03 -1.8831000000e-03  4.1620000000e-04  4.5004000000e-03  2.3192000000e-03  1.3020000000e-04 -2.6949000000e-03  5.4900000000e-04 -1.4288000000e-03 -1.8337000000e-03 -3.4789000000e-03  1.3764000000e-03
+
+JOB 74
+COORDS  1.5344060000e+00 -1.9994280000e+00  3.7487700000e-01  1.7818730000e+00 -2.1762550000e+00 -5.3271500000e-01  5.7783400000e-01 -2.0340860000e+00  3.7391200000e-01 -1.4638670000e+00  2.0600680000e+00 -2.8749700000e-01 -2.3212760000e+00  1.9989300000e+00 -7.0861900000e-01 -1.0389920000e+00  1.2255960000e+00 -4.8591300000e-01
+ENERGY -1.526535330916e+02
+FORCES -2.3528000000e-03 -1.5764000000e-03 -3.3121000000e-03 -1.3316000000e-03  9.8630000000e-04  3.7696000000e-03  3.7882000000e-03  7.9070000000e-04 -4.3240000000e-04 -1.4852000000e-03 -3.3215000000e-03 -2.4196000000e-03  3.6005000000e-03  7.9200000000e-05  1.7477000000e-03 -2.2191000000e-03  3.0416000000e-03  6.4680000000e-04
+
+JOB 75
+COORDS  2.7115600000e-01  1.4664310000e+00 -2.0348860000e+00  3.1992200000e-01  2.3891020000e+00 -2.2849510000e+00 -6.5210600000e-01  1.2373800000e+00 -2.1414460000e+00 -1.9258200000e-01 -1.5193600000e+00  2.1222100000e+00 -4.2668700000e-01 -7.0370500000e-01  1.6793390000e+00 -3.9370200000e-01 -2.2047140000e+00  1.4849720000e+00
+ENERGY -1.526544189010e+02
+FORCES -3.1704000000e-03  3.3631000000e-03 -2.1320000000e-03 -3.2550000000e-04 -3.8911000000e-03  1.0389000000e-03  3.7860000000e-03  6.1940000000e-04  1.0113000000e-03 -1.0842000000e-03  8.3890000000e-04 -4.8170000000e-03  2.8690000000e-04 -3.5521000000e-03  2.2015000000e-03  5.0730000000e-04  2.6218000000e-03  2.6973000000e-03
+
+JOB 76
+COORDS  1.9638200000e-01 -2.2119390000e+00 -1.3715870000e+00  4.9363000000e-01 -2.9875090000e+00 -1.8473660000e+00 -7.0320700000e-01 -2.0775970000e+00 -1.6697860000e+00 -1.4289500000e-01  2.2285640000e+00  1.4693670000e+00 -7.4319700000e-01  2.9456010000e+00  1.2650940000e+00  1.0300000000e-01  1.8710010000e+00  6.1618600000e-01
+ENERGY -1.526543659822e+02
+FORCES -2.4161000000e-03 -3.1885000000e-03 -2.9555000000e-03 -1.2907000000e-03  3.2155000000e-03  1.8793000000e-03  3.7761000000e-03 -2.1560000000e-04  1.1100000000e-03 -1.0607000000e-03  9.6960000000e-04 -4.4174000000e-03  2.3241000000e-03 -2.8954000000e-03  8.2210000000e-04 -1.3327000000e-03  2.1145000000e-03  3.5616000000e-03
+
+JOB 77
+COORDS  1.6787340000e+00 -2.0245240000e+00  1.0104450000e+00  1.2054290000e+00 -1.6651790000e+00  1.7608350000e+00  1.4122910000e+00 -1.4752270000e+00  2.7321200000e-01 -1.5797330000e+00  1.9998320000e+00 -1.0095610000e+00 -2.1410520000e+00  1.8637630000e+00 -1.7728680000e+00 -2.0827350000e+00  1.6466310000e+00 -2.7575500000e-01
+ENERGY -1.526545676470e+02
+FORCES -2.7926000000e-03  4.1077000000e-03 -1.5830000000e-04  1.7428000000e-03 -1.6145000000e-03 -2.9096000000e-03  1.0587000000e-03 -2.6965000000e-03  3.1774000000e-03 -4.8401000000e-03 -1.4074000000e-03 -4.4830000000e-04  2.3800000000e-03  4.6980000000e-04  3.2458000000e-03  2.4512000000e-03  1.1409000000e-03 -2.9070000000e-03
+
+JOB 78
+COORDS  1.7534880000e+00 -2.3473670000e+00 -3.3575600000e-01  2.2924720000e+00 -2.3794520000e+00  4.5462300000e-01  1.3524110000e+00 -1.4784360000e+00 -3.1761500000e-01 -1.7279780000e+00  2.3217900000e+00  3.4407300000e-01 -1.9098270000e+00  2.8281110000e+00 -4.4763500000e-01 -2.1260980000e+00  1.4670940000e+00  1.7906700000e-01
+ENERGY -1.526545399591e+02
+FORCES  7.9950000000e-04  3.6036000000e-03  3.4481000000e-03 -2.1865000000e-03  8.1000000000e-06 -3.2432000000e-03  1.3917000000e-03 -3.8045000000e-03 -2.6450000000e-04 -2.9260000000e-03 -1.0215000000e-03 -3.8928000000e-03  8.4210000000e-04 -2.1677000000e-03  3.2713000000e-03  2.0792000000e-03  3.3820000000e-03  6.8110000000e-04
+
+JOB 79
+COORDS  3.9873100000e-01  2.4453460000e+00  1.4809330000e+00  6.5304300000e-01  2.8214650000e+00  6.3826400000e-01 -1.5226800000e-01  3.1150000000e+00  1.8861440000e+00 -3.7309600000e-01 -2.4406520000e+00 -1.4751350000e+00  2.3874200000e-01 -2.9786440000e+00 -9.7269000000e-01 -1.1248390000e+00 -3.0127460000e+00 -1.6294850000e+00
+ENERGY -1.526539590871e+02
+FORCES -1.3617000000e-03  3.9730000000e-03 -2.2012000000e-03 -9.0720000000e-04 -1.2433000000e-03  3.6342000000e-03  2.2520000000e-03 -2.6890000000e-03 -1.5421000000e-03 -5.2850000000e-04 -4.3488000000e-03  1.8660000000e-03 -2.4862000000e-03  2.0016000000e-03 -2.2736000000e-03  3.0315000000e-03  2.3064000000e-03  5.1670000000e-04
+
+JOB 80
+COORDS  1.7345430000e+00  1.6258700000e+00 -1.8102120000e+00  1.5679620000e+00  1.6537110000e+00 -8.6803000000e-01  2.6800830000e+00  1.7512990000e+00 -1.8905560000e+00 -1.7487080000e+00 -1.6804820000e+00  1.7966560000e+00 -1.3583630000e+00 -1.2048390000e+00  1.0634260000e+00 -2.6329970000e+00 -1.3218540000e+00  1.8718250000e+00
+ENERGY -1.526542607738e+02
+FORCES  3.6413000000e-03  8.0630000000e-04  3.3634000000e-03  2.6420000000e-04 -3.5630000000e-04 -3.8502000000e-03 -3.9277000000e-03 -4.7810000000e-04  3.4100000000e-04 -2.2414000000e-03  3.1591000000e-03 -2.9627000000e-03 -1.3972000000e-03 -1.7174000000e-03  3.3242000000e-03  3.6608000000e-03 -1.4136000000e-03 -2.1580000000e-04
+
+JOB 81
+COORDS -1.7273950000e+00 -6.1311700000e-01  2.6232610000e+00 -1.1948560000e+00 -5.4657600000e-01  3.4158550000e+00 -1.5987770000e+00  2.2373800000e-01  2.1767600000e+00  1.6953190000e+00  5.7924900000e-01 -2.7121790000e+00  2.3037600000e+00  4.1912000000e-02 -2.2049330000e+00  1.0478450000e+00  8.7689200000e-01 -2.0731030000e+00
+ENERGY -1.526538809080e+02
+FORCES  2.3503000000e-03  3.6703000000e-03  1.7879000000e-03 -2.0952000000e-03 -2.5820000000e-04 -3.4036000000e-03 -2.4250000000e-04 -3.4866000000e-03  1.5488000000e-03 -2.2730000000e-04 -1.2788000000e-03  4.5702000000e-03 -2.4387000000e-03  2.3488000000e-03 -2.0368000000e-03  2.6534000000e-03 -9.9550000000e-04 -2.4665000000e-03
+
+JOB 82
+COORDS -4.1995900000e-01 -2.7516840000e+00 -2.3171740000e+00 -3.6879200000e-01 -1.8247610000e+00 -2.0838770000e+00 -8.9858000000e-01 -3.1553230000e+00 -1.5931380000e+00  4.5092600000e-01  2.6639510000e+00  2.2374820000e+00 -2.9617200000e-01  3.2513280000e+00  2.1231850000e+00  1.0397490000e+00  3.1363240000e+00  2.8260250000e+00
+ENERGY -1.526544296102e+02
+FORCES -1.5727000000e-03  2.2915000000e-03  4.1162000000e-03 -3.3300000000e-04 -3.8599000000e-03 -1.1584000000e-03  1.8505000000e-03  1.5201000000e-03 -3.0195000000e-03 -4.9490000000e-04  4.4586000000e-03  2.0709000000e-03  3.0049000000e-03 -2.4915000000e-03  3.9760000000e-04 -2.4547000000e-03 -1.9188000000e-03 -2.4069000000e-03
+
+JOB 83
+COORDS -4.1100300000e-01  1.9362800000e+00 -3.0143680000e+00 -1.1479800000e+00  1.8067010000e+00 -2.4174540000e+00 -7.8120500000e-01  2.4233380000e+00 -3.7505450000e+00  4.3824100000e-01 -1.9857100000e+00  2.9738140000e+00  1.2564170000e+00 -2.2729060000e+00  3.3791990000e+00  2.3213000000e-01 -1.1585310000e+00  3.4091590000e+00
+ENERGY -1.526540398538e+02
+FORCES -4.5445000000e-03  1.2327000000e-03 -5.1470000000e-04  2.9872000000e-03  7.1190000000e-04 -2.4672000000e-03  1.5297000000e-03 -1.9423000000e-03  2.9955000000e-03  2.6811000000e-03  2.2269000000e-03  3.3142000000e-03 -3.3816000000e-03  1.1433000000e-03 -1.5769000000e-03  7.2810000000e-04 -3.3725000000e-03 -1.7508000000e-03
+
+JOB 84
+COORDS -3.5013400000e+00  6.7112000000e-01 -2.3856570000e+00 -4.3445460000e+00  1.1129850000e+00 -2.4856040000e+00 -2.9096780000e+00  1.1488030000e+00 -2.9670240000e+00  3.4812890000e+00 -6.7239600000e-01  2.3923110000e+00  3.4103860000e+00 -9.7184900000e-01  3.2986960000e+00  4.1654370000e+00 -1.2224180000e+00  2.0106710000e+00
+ENERGY -1.526539747278e+02
+FORCES -8.8090000000e-04  3.7946000000e-03 -2.6878000000e-03  3.4006000000e-03 -1.8225000000e-03  3.9460000000e-04 -2.4934000000e-03 -1.9585000000e-03  2.2935000000e-03  2.3654000000e-03 -3.5292000000e-03  2.1185000000e-03  3.4940000000e-04  1.2429000000e-03 -3.6755000000e-03 -2.7410000000e-03  2.2728000000e-03  1.5566000000e-03
+
+JOB 85
+COORDS  3.2628360000e+00 -9.2511000000e-02 -3.1093740000e+00  2.8155060000e+00  3.4939000000e-01 -2.3876740000e+00  4.1440750000e+00 -2.6320300000e-01 -2.7769390000e+00 -3.3469610000e+00  9.2320000000e-02  3.0553450000e+00 -2.6130100000e+00  7.0580400000e-01  3.0897760000e+00 -2.9366040000e+00 -7.6831900000e-01  2.9708540000e+00
+ENERGY -1.526539433823e+02
+FORCES  1.8199000000e-03  1.1485000000e-03  4.1971000000e-03  1.7995000000e-03 -1.8435000000e-03 -2.8682000000e-03 -3.6376000000e-03  6.8880000000e-04 -1.3146000000e-03  4.5821000000e-03 -1.0492000000e-03 -1.9280000000e-04 -2.9394000000e-03 -2.5019000000e-03 -1.7010000000e-04 -1.6246000000e-03  3.5573000000e-03  3.4860000000e-04
+
+JOB 86
+COORDS  4.8941210000e+00 -3.0813600000e-01  3.6924240000e+00  5.3901430000e+00  5.0199500000e-01  3.5746060000e+00  3.9806200000e+00 -2.5810000000e-02  3.7375870000e+00 -4.8361520000e+00  2.0705800000e-01 -3.7299840000e+00 -5.5842000000e+00  7.6288300000e-01 -3.9484170000e+00 -4.6751140000e+00  3.7536000000e-01 -2.8015590000e+00
+ENERGY -1.526540340879e+02
+FORCES -1.6856000000e-03  4.4446000000e-03 -3.2320000000e-04 -2.0334000000e-03 -3.3002000000e-03  4.9290000000e-04  3.7133000000e-03 -1.1435000000e-03 -1.7160000000e-04 -2.4161000000e-03  2.9265000000e-03  2.8788000000e-03  3.0626000000e-03 -2.2591000000e-03  9.0050000000e-04 -6.4080000000e-04 -6.6830000000e-04 -3.7775000000e-03
+
+JOB 87
+COORDS -4.1076130000e+00 -6.8435200000e-01  5.2157940000e+00 -4.6125500000e+00 -4.3985300000e-01  4.4402360000e+00 -3.5538380000e+00  7.6417000000e-02  5.3912820000e+00  4.0564580000e+00  6.0719100000e-01 -5.2238680000e+00  3.9547540000e+00  8.5136800000e-01 -4.3039410000e+00  4.9886620000e+00  7.3004700000e-01 -5.4031270000e+00
+ENERGY -1.526540681582e+02
+FORCES  1.7300000000e-04  4.0916000000e-03 -2.4557000000e-03  2.0716000000e-03 -9.9000000000e-04  3.1714000000e-03 -2.2428000000e-03 -3.1019000000e-03 -7.1550000000e-04  3.4104000000e-03  1.4715000000e-03  3.0113000000e-03  3.9730000000e-04 -9.8010000000e-04 -3.7472000000e-03 -3.8095000000e-03 -4.9110000000e-04  7.3560000000e-04
+
+JOB 88
+COORDS -5.3518770000e+00 -1.7358080000e+00  4.3654320000e+00 -6.0931080000e+00 -2.3144230000e+00  4.5443510000e+00 -4.6635590000e+00 -2.0372070000e+00  4.9583980000e+00  5.3656760000e+00  1.7891470000e+00 -4.3527750000e+00  4.9872710000e+00  2.5024340000e+00 -4.8668390000e+00  5.4979020000e+00  1.0820990000e+00 -4.9843060000e+00
+ENERGY -1.526540675177e+02
+FORCES -1.8720000000e-04 -3.5835000000e-03  3.1482000000e-03  3.0145000000e-03  2.3597000000e-03 -7.3300000000e-04 -2.8247000000e-03  1.2231000000e-03 -2.4137000000e-03 -1.0398000000e-03  2.8100000000e-05 -4.6636000000e-03  1.5614000000e-03 -2.9088000000e-03  2.0887000000e-03 -5.2420000000e-04  2.8815000000e-03  2.5733000000e-03
+
+JOB 89
+COORDS  6.7714420000e+00  3.9210740000e+00  1.5270030000e+00  7.0699400000e+00  4.5143140000e+00  2.2163480000e+00  5.8205500000e+00  4.0297540000e+00  1.5119880000e+00 -6.8029030000e+00 -3.9446840000e+00 -1.5834030000e+00 -6.5489200000e+00 -4.3626150000e+00 -7.6056800000e-01 -5.9731700000e+00 -3.7270500000e+00 -2.0081510000e+00
+ENERGY -1.526540804325e+02
+FORCES -2.6460000000e-03  2.8854000000e-03  2.7510000000e-03 -1.2236000000e-03 -2.4272000000e-03 -2.8113000000e-03  3.8711000000e-03 -4.5940000000e-04  5.9700000000e-05  4.4234000000e-03 -8.3420000000e-04  1.6126000000e-03 -1.0378000000e-03  1.7135000000e-03 -3.3512000000e-03 -3.3871000000e-03 -8.7810000000e-04  1.7391000000e-03
+
+JOB 0
+COORDS  6.5184400000e-01  9.0393700000e-01 -5.4500500000e-01  1.2993790000e+00  6.8565500000e-01  1.2528000000e-01  1.1277390000e+00  8.2835500000e-01 -1.3720740000e+00 -7.7912100000e-01 -9.0052100000e-01  5.5437700000e-01 -3.2667900000e-01 -4.2939500000e-01 -1.4531400000e-01 -8.7032000000e-02 -1.1339170000e+00  1.1730610000e+00
+ENERGY -1.526521674655e+02
+FORCES -3.2655000000e-03 -7.0804000000e-03  7.7300000000e-03 -4.8867000000e-03 -2.4407000000e-03 -3.8932000000e-03 -3.8114000000e-03 -2.0802000000e-03  5.5488000000e-03  1.2977300000e-02  1.6036500000e-02 -1.0329200000e-02 -7.9580000000e-04 -7.0281000000e-03  3.1393000000e-03 -2.1790000000e-04  2.5928000000e-03 -2.1957000000e-03
+
+JOB 1
+COORDS  4.9002000000e-01  1.3657900000e-01 -1.2326930000e+00  4.8508000000e-02  8.6895000000e-02 -3.8485400000e-01  1.1201500000e+00 -5.8379800000e-01 -1.2177110000e+00 -4.5091300000e-01 -1.2719900000e-01  1.1251570000e+00 -1.3116700000e+00  2.5167000000e-01  9.4686700000e-01 -2.8830500000e-01  7.0000000000e-02  2.0476020000e+00
+ENERGY -1.526539671835e+02
+FORCES -3.7928000000e-03 -4.7891000000e-03  2.1796900000e-02 -8.1708000000e-03  1.7571000000e-03 -4.3559000000e-03 -9.1350000000e-04  1.7805000000e-03 -3.1800000000e-05  8.1710000000e-03  3.9940000000e-03 -1.1457800000e-02  7.8984000000e-03 -1.2780000000e-03 -1.7151000000e-03 -3.1924000000e-03 -1.4645000000e-03 -4.2363000000e-03
+
+JOB 2
+COORDS -1.3560300000e-01  1.0698860000e+00  6.2207400000e-01 -8.8336400000e-01  1.4355380000e+00  1.4943900000e-01 -1.9415600000e-01  1.4531380000e+00  1.4972440000e+00  2.1735200000e-01 -1.1631630000e+00 -6.5301500000e-01 -4.0170400000e-01 -8.1390600000e-01 -1.2941240000e+00  1.3816700000e-01 -5.7814600000e-01  1.0045500000e-01
+ENERGY -1.526551640662e+02
+FORCES -1.2668000000e-03 -6.5610000000e-03 -5.6265000000e-03  3.7038000000e-03 -2.5811000000e-03  2.5231000000e-03 -1.7920000000e-04 -2.3772000000e-03 -5.1425000000e-03 -3.2986000000e-03  1.7852000000e-02  8.6826000000e-03  7.9140000000e-04 -2.1060000000e-04  1.3090000000e-03  2.4930000000e-04 -6.1221000000e-03 -1.7458000000e-03
+
+JOB 3
+COORDS -1.6664000000e-02  4.4758200000e-01 -1.2941880000e+00 -4.7870000000e-03  2.6675000000e-01 -3.5429900000e-01  9.0279600000e-01  4.0938300000e-01 -1.5575630000e+00 -6.1378000000e-02 -4.3598700000e-01  1.1955250000e+00 -4.8803600000e-01 -9.3285000000e-02  1.9808600000e+00  7.9030700000e-01 -7.4761900000e-01  1.5017120000e+00
+ENERGY -1.526582286309e+02
+FORCES  6.0300000000e-04 -5.6136000000e-03  1.6344900000e-02  1.8226000000e-03  3.1314000000e-03 -8.1935000000e-03 -2.0963000000e-03 -7.4390000000e-04  2.4164000000e-03  7.7280000000e-04  3.0368000000e-03 -5.3975000000e-03  3.3180000000e-03 -2.4920000000e-03 -3.5225000000e-03 -4.4201000000e-03  2.6813000000e-03 -1.6479000000e-03
+
+JOB 4
+COORDS -7.4539900000e-01  2.1865600000e-01  1.0365980000e+00 -3.4995500000e-01 -3.0383500000e-01  1.7343510000e+00 -1.4231860000e+00  7.3219200000e-01  1.4760510000e+00  7.8915300000e-01 -2.3615300000e-01 -1.1529150000e+00  3.5041000000e-02 -6.5653100000e-01 -7.3960000000e-01  9.9893300000e-01  4.9957500000e-01 -5.7765100000e-01
+ENERGY -1.526575235434e+02
+FORCES  6.1630000000e-04 -5.2600000000e-04  2.9620000000e-04 -1.8895000000e-03  2.6294000000e-03 -4.4730000000e-03  4.0799000000e-03 -2.4021000000e-03 -1.6963000000e-03 -9.4108000000e-03  5.0851000000e-03  1.1364700000e-02  2.9426000000e-03 -3.8319000000e-03 -2.8008000000e-03  3.6615000000e-03 -9.5450000000e-04 -2.6907000000e-03
+
+JOB 5
+COORDS -9.4781500000e-01 -7.4910800000e-01 -5.0043100000e-01 -1.2465510000e+00 -8.0385800000e-01 -1.4081700000e+00 -7.8144800000e-01 -1.6571300000e+00 -2.4735100000e-01  1.0229570000e+00  8.0829000000e-01  5.2358100000e-01  4.5205500000e-01  9.4409000000e-02  2.3954600000e-01  4.4801100000e-01  1.3937970000e+00  1.0163790000e+00
+ENERGY -1.526589792821e+02
+FORCES  2.9805000000e-03  2.6188000000e-03 -2.8264000000e-03  4.7040000000e-04 -1.4413000000e-03  4.9343000000e-03  1.2490000000e-03  6.2893000000e-03 -1.1643000000e-03 -1.3631200000e-02 -6.1911000000e-03 -5.3866000000e-03  7.1237000000e-03 -7.2100000000e-05  5.5717000000e-03  1.8075000000e-03 -1.2036000000e-03 -1.1287000000e-03
+
+JOB 6
+COORDS -3.5746100000e-01 -2.9879000000e-01  1.2325710000e+00 -6.5237200000e-01  1.8108500000e-01  2.0065090000e+00 -1.0802710000e+00 -8.9209500000e-01  1.0282020000e+00  3.9501000000e-01  2.5435500000e-01 -1.3102690000e+00  3.8321000000e-02  4.2591200000e-01 -4.3873400000e-01  1.0828670000e+00  9.1064000000e-01 -1.4215160000e+00
+ENERGY -1.526593111187e+02
+FORCES -1.8268000000e-03 -2.5385000000e-03 -1.8265000000e-03  1.4841000000e-03 -2.2151000000e-03 -4.5764000000e-03  3.4247000000e-03  4.6729000000e-03  1.3706000000e-03 -9.2380000000e-04 -5.5810000000e-04  1.2948800000e-02  1.8730000000e-04  2.2084000000e-03 -9.5838000000e-03 -2.3454000000e-03 -1.5696000000e-03  1.6671000000e-03
+
+JOB 7
+COORDS -5.9344500000e-01  7.5489200000e-01 -8.9171600000e-01 -1.1987330000e+00  1.3594970000e+00 -1.3210310000e+00 -2.6090000000e-03  4.7111800000e-01 -1.5892950000e+00  6.2121700000e-01 -8.2548300000e-01  9.3419500000e-01  3.6816400000e-01 -7.0251900000e-01  1.8491140000e+00  3.6804300000e-01 -9.0730000000e-03  5.0336900000e-01
+ENERGY -1.526583549123e+02
+FORCES  7.3610000000e-04 -2.5979000000e-03  1.8300000000e-05  2.7705000000e-03 -3.6532000000e-03  5.6440000000e-04 -2.5794000000e-03  2.6865000000e-03  4.7151000000e-03 -7.7177000000e-03  7.9905000000e-03 -4.0967000000e-03  2.3860000000e-04  2.1910000000e-04 -2.8989000000e-03  6.5519000000e-03 -4.6451000000e-03  1.6977000000e-03
+
+JOB 8
+COORDS  9.5657200000e-01  9.2969100000e-01 -1.3656000000e-01  1.7994660000e+00  8.9752900000e-01  3.1590700000e-01  4.6365800000e-01  1.6098980000e+00  3.2233500000e-01 -9.8945900000e-01 -1.0365560000e+00  5.9022000000e-02 -1.4993000000e-01 -5.8623100000e-01 -3.3882000000e-02 -1.5467830000e+00 -4.1190500000e-01  5.2317100000e-01
+ENERGY -1.526586052180e+02
+FORCES -1.6623000000e-03  1.4279000000e-03  3.1903000000e-03 -5.1352000000e-03 -1.2900000000e-04 -1.8633000000e-03  2.0058000000e-03 -4.5990000000e-03 -1.5578000000e-03  9.1320000000e-03  1.1321600000e-02 -4.2570000000e-04 -5.7748000000e-03 -7.0180000000e-03  1.6857000000e-03  1.4346000000e-03 -1.0035000000e-03 -1.0292000000e-03
+
+JOB 9
+COORDS -1.0516240000e+00 -8.0263500000e-01  1.4379600000e-01 -1.5549550000e+00 -1.0929890000e+00 -6.1685100000e-01 -1.6889040000e+00 -3.4649200000e-01  6.9337600000e-01  1.1239240000e+00  8.5032700000e-01 -1.0083400000e-01  4.3494400000e-01  1.9395000000e-01  2.6440000000e-03  1.7055820000e+00  4.8468000000e-01 -7.6732300000e-01
+ENERGY -1.526608332754e+02
+FORCES -4.4850000000e-04  4.3868000000e-03 -2.0565000000e-03  1.7429000000e-03  1.3896000000e-03  4.2094000000e-03  3.0722000000e-03 -2.5380000000e-03 -3.6350000000e-03 -9.6503000000e-03 -1.0289400000e-02 -3.1300000000e-04  7.8581000000e-03  6.6978000000e-03  3.9970000000e-04 -2.5744000000e-03  3.5320000000e-04  1.3954000000e-03
+
+JOB 10
+COORDS -3.2347200000e-01  6.9978300000e-01  1.1798920000e+00  4.4403300000e-01  1.1660760000e+00  1.5111600000e+00  2.1114000000e-02  1.2626900000e-01  4.9536700000e-01  2.4555600000e-01 -7.1756200000e-01 -1.0984240000e+00  9.2548600000e-01 -1.0317150000e+00 -1.6944400000e+00 -1.1137200000e-01  5.8979000000e-02 -1.5294910000e+00
+ENERGY -1.526600015102e+02
+FORCES  6.0626000000e-03 -7.3104000000e-03 -7.0736000000e-03 -1.9227000000e-03 -1.6565000000e-03 -1.9462000000e-03 -4.4829000000e-03  8.1737000000e-03  3.7062000000e-03  5.9600000000e-04  2.2930000000e-03 -6.7530000000e-04 -3.8389000000e-03  2.5533000000e-03  1.6616000000e-03  3.5858000000e-03 -4.0531000000e-03  4.3273000000e-03
+
+JOB 11
+COORDS -3.0419300000e-01 -1.3618430000e+00  3.3407400000e-01 -3.3786100000e-01 -4.2355300000e-01  1.4776800000e-01  5.7300900000e-01 -1.6295910000e+00  6.0106000000e-02  2.5818800000e-01  1.2559580000e+00 -3.0958000000e-01  6.1154400000e-01  1.8632420000e+00 -9.5964000000e-01 -1.1312600000e-01  1.8199570000e+00  3.6884600000e-01
+ENERGY -1.526590291832e+02
+FORCES  6.4959000000e-03  1.1586200000e-02 -5.4567000000e-03 -4.1005000000e-03 -3.8283000000e-03  5.2989000000e-03 -2.2716000000e-03 -8.6850000000e-04  7.1520000000e-04 -1.8290000000e-04 -1.4806000000e-03 -9.0710000000e-04 -1.2604000000e-03 -1.4987000000e-03  4.3811000000e-03  1.3193000000e-03 -3.9100000000e-03 -4.0314000000e-03
+
+JOB 12
+COORDS  1.0596350000e+00  3.0976500000e-01  9.0446300000e-01  1.2148200000e-01  3.4585800000e-01  7.1791700000e-01  1.4463580000e+00  9.5865700000e-01  3.1657200000e-01 -1.0272490000e+00 -2.9698900000e-01 -8.1356700000e-01 -2.9301200000e-01 -8.7982700000e-01 -1.0070330000e+00 -1.7331640000e+00 -6.0314500000e-01 -1.3829400000e+00
+ENERGY -1.526602152563e+02
+FORCES -7.7960000000e-03  3.5442000000e-03 -4.9523000000e-03  6.7649000000e-03 -1.3805000000e-03  2.1805000000e-03 -5.4980000000e-04 -3.0545000000e-03  1.4763000000e-03  2.1744000000e-03 -2.8148000000e-03 -4.3910000000e-04 -5.1155000000e-03  3.3921000000e-03  1.1260000000e-04  4.5221000000e-03  3.1350000000e-04  1.6219000000e-03
+
+JOB 13
+COORDS  5.1413900000e-01  1.2470270000e+00  3.3504400000e-01  8.2003200000e-01  1.1189980000e+00 -5.6288100000e-01 -2.8990900000e-01  1.7583590000e+00  2.4405400000e-01 -5.4058900000e-01 -1.2717290000e+00 -2.6460300000e-01 -6.0136000000e-02 -1.8798600000e+00 -8.2636100000e-01  9.2419000000e-02 -5.8378100000e-01 -5.9027000000e-02
+ENERGY -1.526568802241e+02
+FORCES -6.5001000000e-03  1.9641000000e-03 -3.8681000000e-03 -2.6092000000e-03 -5.6678000000e-03  5.8827000000e-03  4.9658000000e-03 -1.7040000000e-03  2.5370000000e-04  5.0639000000e-03  7.1190000000e-03  4.5175000000e-03 -2.6920000000e-04  4.5788000000e-03  1.7631000000e-03 -6.5120000000e-04 -6.2901000000e-03 -8.5488000000e-03
+
+JOB 14
+COORDS -5.8951900000e-01  1.2241790000e+00 -1.1802600000e-01  1.2900000000e-01  1.6997400000e+00 -5.3492500000e-01 -1.2514700000e+00  1.1396880000e+00 -8.0425700000e-01  5.7283600000e-01 -1.2704000000e+00  2.4353700000e-01  1.3238650000e+00 -1.4915180000e+00 -3.0718400000e-01  7.0978000000e-02 -6.4228700000e-01 -2.7592800000e-01
+ENERGY -1.526553084668e+02
+FORCES  2.2790000000e-03  3.0568000000e-03 -3.6000000000e-04 -3.7321000000e-03 -4.0894000000e-03  1.1144000000e-03  5.6471000000e-03 -3.2644000000e-03  3.4264000000e-03 -3.9688000000e-03  9.9331000000e-03 -2.4310000000e-03 -2.9497000000e-03  2.8176000000e-03  1.4538000000e-03  2.7245000000e-03 -8.4537000000e-03 -3.2036000000e-03
+
+JOB 15
+COORDS  3.5157400000e-01  5.5384400000e-01 -1.2285540000e+00  9.7820100000e-01  1.1193030000e+00 -7.7708300000e-01 -4.7001400000e-01  1.0447060000e+00 -1.2118270000e+00 -3.4330600000e-01 -5.8703700000e-01  1.2533840000e+00 -6.8706700000e-01 -1.4645840000e+00  1.0861370000e+00  2.3419000000e-02 -3.0896600000e-01  4.1408600000e-01
+ENERGY -1.526602975415e+02
+FORCES -2.1293000000e-03  5.3867000000e-03  1.0084000000e-03 -4.7834000000e-03 -5.3979000000e-03 -1.8300000000e-05  4.8033000000e-03 -3.5644000000e-03  1.0079000000e-03  2.9688000000e-03  3.7710000000e-04 -1.2442300000e-02  7.6410000000e-04  2.9707000000e-03 -1.8600000000e-05 -1.6233000000e-03  2.2780000000e-04  1.0463000000e-02
+
+JOB 16
+COORDS  5.8270200000e-01 -1.3159840000e+00 -4.2222000000e-02 -2.5463800000e-01 -1.4947760000e+00  3.8571200000e-01  1.0626500000e+00 -7.7599200000e-01  5.8570300000e-01 -5.5658900000e-01  1.3158960000e+00  4.1483000000e-02 -1.0863480000e+00  1.7203390000e+00 -6.4554900000e-01 -1.5005500000e-01  5.6013600000e-01 -3.8253100000e-01
+ENERGY -1.526599925753e+02
+FORCES -1.7059000000e-03 -1.0280000000e-04  7.8648000000e-03  4.0137000000e-03  1.7834000000e-03 -3.6959000000e-03 -3.6711000000e-03 -7.1320000000e-04 -5.8270000000e-03  2.2591000000e-03 -5.7879000000e-03 -5.2355000000e-03  1.9412000000e-03 -2.7691000000e-03  1.9391000000e-03 -2.8369000000e-03  7.5896000000e-03  4.9545000000e-03
+
+JOB 17
+COORDS -9.1031000000e-02  1.2901570000e+00 -7.3172000000e-01 -6.6324700000e-01  1.2482870000e+00  3.4470000000e-02  2.5441600000e-01  4.0205000000e-01 -8.2207700000e-01  1.1054600000e-01 -1.1711990000e+00  6.5704000000e-01 -6.2112000000e-01 -1.7872210000e+00  6.1944200000e-01  7.3069200000e-01 -1.5720360000e+00  1.2661210000e+00
+ENERGY -1.526589168455e+02
+FORCES  3.8150000000e-04 -1.0452300000e-02  8.0612000000e-03 -5.3990000000e-04  3.0087000000e-03 -2.6243000000e-03 -1.1710000000e-04  4.3855000000e-03 -4.7404000000e-03  3.2300000000e-04 -1.9337000000e-03  1.6931000000e-03  3.5098000000e-03  3.5464000000e-03  4.1410000000e-04 -3.5573000000e-03  1.4453000000e-03 -2.8037000000e-03
+
+JOB 18
+COORDS -1.2638640000e+00  1.7254400000e-01 -6.9657200000e-01 -9.2002300000e-01  8.1998400000e-01 -1.3120620000e+00 -1.0609850000e+00  5.3128900000e-01  1.6735700000e-01  1.2545240000e+00 -2.8360300000e-01  7.2422100000e-01  4.9115900000e-01 -2.5484700000e-01  1.4743700000e-01  1.6656740000e+00  5.7462700000e-01  6.2112900000e-01
+ENERGY -1.526548998184e+02
+FORCES -9.1610000000e-04  5.6923000000e-03  8.7480000000e-04  1.4400000000e-04 -4.1224000000e-03  4.3529000000e-03  6.3038000000e-03 -5.5788000000e-03 -6.3062000000e-03 -4.1990000000e-03  8.2330000000e-04 -7.2002000000e-03  2.1362000000e-03  5.8708000000e-03  8.2727000000e-03 -3.4688000000e-03 -2.6852000000e-03  6.0000000000e-06
+
+JOB 19
+COORDS  9.8660200000e-01  7.1138700000e-01  6.4432900000e-01  1.4855740000e+00  2.0368200000e-01  1.2842450000e+00  1.6522540000e+00  1.1433260000e+00  1.0900800000e-01 -1.1135350000e+00 -6.7979000000e-01 -6.7637300000e-01 -4.4605900000e-01 -1.8198800000e-01 -2.0425000000e-01 -7.6723400000e-01 -1.5714230000e+00 -7.1239500000e-01
+ENERGY -1.526611045301e+02
+FORCES  3.0070000000e-03 -5.5340000000e-04 -7.8340000000e-04 -1.9865000000e-03  2.2136000000e-03 -4.0458000000e-03 -2.5616000000e-03 -2.7067000000e-03  3.4564000000e-03  9.7566000000e-03  3.7890000000e-03  5.5180000000e-03 -7.6506000000e-03 -5.3013000000e-03 -4.6383000000e-03 -5.6490000000e-04  2.5588000000e-03  4.9310000000e-04
+
+JOB 20
+COORDS  6.2816000000e-02 -1.5650000000e-02  1.5271950000e+00  4.7846100000e-01 -8.5216300000e-01  1.7362790000e+00 -2.0665300000e-01 -1.0345400000e-01  6.1291400000e-01 -4.3457000000e-02  8.6928000000e-02 -1.4294150000e+00 -5.8965500000e-01  5.8951700000e-01 -2.0338180000e+00  3.1969000000e-02 -7.7655800000e-01 -1.8355360000e+00
+ENERGY -1.526598498840e+02
+FORCES  8.2150000000e-04 -1.4795000000e-03 -8.7377000000e-03 -1.4262000000e-03  2.3393000000e-03 -1.2697000000e-03 -3.3570000000e-04 -2.2045000000e-03  9.7752000000e-03 -1.1378000000e-03  4.4120000000e-04 -4.9816000000e-03  2.8590000000e-03 -3.1176000000e-03  2.2354000000e-03 -7.8090000000e-04  4.0211000000e-03  2.9782000000e-03
+
+JOB 21
+COORDS -6.8037000000e-02 -1.1627090000e+00  8.7292900000e-01 -9.3239700000e-01 -1.5717270000e+00  8.3029500000e-01  5.3169800000e-01 -1.8347030000e+00  5.4892900000e-01  9.4547000000e-02  1.2921400000e+00 -8.4238500000e-01 -2.0108400000e-01  8.7694400000e-01 -1.6525990000e+00  1.9399400000e-01  5.6817600000e-01 -2.2414800000e-01
+ENERGY -1.526606885593e+02
+FORCES -2.4322000000e-03 -5.1522000000e-03  6.4100000000e-05  4.7188000000e-03  1.2263000000e-03 -3.2300000000e-04 -3.4600000000e-03  3.8633000000e-03  6.1150000000e-04 -1.3760000000e-03 -8.9021000000e-03  3.6097000000e-03  8.2340000000e-04  1.2003000000e-03  2.2461000000e-03  1.7260000000e-03  7.7644000000e-03 -6.2085000000e-03
+
+JOB 22
+COORDS  4.0103400000e-01  1.0193060000e+00  9.8327400000e-01  6.6736400000e-01  1.5790310000e+00  2.5388500000e-01 -2.8625900000e-01  1.5154050000e+00  1.4279590000e+00 -3.8310600000e-01 -1.1408830000e+00 -9.7601500000e-01 -9.2772000000e-02 -7.3275400000e-01 -1.6031300000e-01 -5.7112700000e-01 -4.0519600000e-01 -1.5588050000e+00
+ENERGY -1.526593790227e+02
+FORCES -1.4160000000e-03  5.6604000000e-03  3.8900000000e-05 -2.5526000000e-03 -3.6462000000e-03  2.6718000000e-03  3.4383000000e-03 -1.9789000000e-03 -2.7851000000e-03  1.4032000000e-03  7.8428000000e-03  5.4786000000e-03 -1.7085000000e-03 -5.9562000000e-03 -6.5070000000e-03  8.3560000000e-04 -1.9218000000e-03  1.1028000000e-03
+
+JOB 23
+COORDS -1.3366090000e+00 -4.0007900000e-01  5.7274800000e-01 -4.4943200000e-01 -2.6373200000e-01  9.0525300000e-01 -1.9041470000e+00 -2.6840000000e-03  1.2332100000e+00  1.2708630000e+00  4.1605100000e-01 -6.1591600000e-01  2.2086830000e+00  5.8964400000e-01 -5.3473600000e-01  1.2165350000e+00 -5.1689200000e-01 -8.2303300000e-01
+ENERGY -1.526567651216e+02
+FORCES  3.7525000000e-03  4.9899000000e-03  2.1547000000e-03 -5.4128000000e-03 -4.7003000000e-03  7.3250000000e-04  2.4247000000e-03 -1.2075000000e-03 -2.2596000000e-03  2.9818000000e-03 -2.8936000000e-03 -4.0461000000e-03 -4.6685000000e-03 -7.7770000000e-04  3.1100000000e-05  9.2220000000e-04  4.5893000000e-03  3.3873000000e-03
+
+JOB 24
+COORDS -6.8252200000e-01  1.3414730000e+00 -9.1675000000e-02  1.9377000000e-01  1.7266060000e+00 -9.5870000000e-02 -9.1743300000e-01  1.2694290000e+00 -1.0168010000e+00  6.0536500000e-01 -1.3897980000e+00  1.9506600000e-01  1.4139460000e+00 -1.6707830000e+00 -2.3327600000e-01  4.0877700000e-01 -5.3929600000e-01 -1.9765800000e-01
+ENERGY -1.526562148383e+02
+FORCES -5.9410000000e-04  5.4214000000e-03 -1.9551000000e-03 -3.7328000000e-03 -5.2428000000e-03 -9.3430000000e-04  3.1398000000e-03 -1.7216000000e-03  5.1033000000e-03 -1.5209000000e-03  5.2384000000e-03 -1.6463000000e-03 -3.3534000000e-03  2.6530000000e-03  1.2580000000e-03  6.0614000000e-03 -6.3484000000e-03 -1.8257000000e-03
+
+JOB 25
+COORDS  7.8258300000e-01 -4.9439100000e-01 -1.1940890000e+00 -1.3535400000e-01 -6.9465800000e-01 -1.3771630000e+00  9.8931500000e-01  2.3699900000e-01 -1.7759510000e+00 -7.7413700000e-01  5.1451100000e-01  1.1846340000e+00 -8.7568500000e-01  4.9140000000e-01  2.1361520000e+00 -1.9726700000e-01 -2.2328200000e-01  9.8685800000e-01
+ENERGY -1.526581727236e+02
+FORCES -3.2356000000e-03  5.3692000000e-03 -3.8265000000e-03  4.6238000000e-03 -1.8720000000e-04  2.1886000000e-03 -5.8560000000e-04 -3.7665000000e-03  1.1816000000e-03  4.5152000000e-03 -2.9185000000e-03  7.8990000000e-04  1.1932000000e-03 -2.1630000000e-04 -3.9454000000e-03 -6.5110000000e-03  1.7193000000e-03  3.6119000000e-03
+
+JOB 26
+COORDS -1.0075590000e+00 -1.4054700000e-01  1.0998730000e+00 -1.7118850000e+00  4.8899900000e-01  9.4551300000e-01 -1.4308460000e+00 -9.9620000000e-01  1.0297420000e+00  1.0613270000e+00  1.7894100000e-01 -1.1420210000e+00  4.6482800000e-01  2.8302000000e-02 -4.0872100000e-01  1.9230860000e+00 -6.5315000000e-02 -8.0446800000e-01
+ENERGY -1.526618851630e+02
+FORCES -6.7290000000e-03 -4.2340000000e-04  9.1430000000e-04  3.2479000000e-03 -3.6913000000e-03  6.8980000000e-04  2.2615000000e-03  4.4103000000e-03 -2.9500000000e-05 -2.4624000000e-03 -1.2848000000e-03  7.8207000000e-03  6.5800000000e-03  5.2000000000e-04 -8.4212000000e-03 -2.8981000000e-03  4.6920000000e-04 -9.7410000000e-04
+
+JOB 27
+COORDS  6.1379500000e-01 -5.7768500000e-01  1.3460140000e+00  5.3625400000e-01 -4.8052100000e-01  3.9692100000e-01  5.2621000000e-01  3.1266700000e-01  1.6863570000e+00 -5.9865300000e-01  5.3472700000e-01 -1.2528370000e+00  8.8801000000e-02  3.3805800000e-01 -1.8892010000e+00 -1.4123570000e+00  4.7992300000e-01 -1.7539500000e+00
+ENERGY -1.526582202111e+02
+FORCES -4.6664000000e-03  6.1491000000e-03 -5.7148000000e-03  5.6518000000e-03 -3.0290000000e-03  3.7394000000e-03  1.1549000000e-03 -3.1920000000e-03  3.9670000000e-04 -3.6744000000e-03 -4.3720000000e-04 -4.8699000000e-03 -2.6030000000e-03 -3.5540000000e-04  5.1041000000e-03  4.1370000000e-03  8.6450000000e-04  1.3446000000e-03
+
+JOB 28
+COORDS  1.4593620000e+00 -5.1986500000e-01  2.4305900000e-01  2.0998570000e+00  1.2738900000e-01 -5.2001000000e-02  7.2059400000e-01 -4.1720500000e-01 -3.5687000000e-01 -1.4389370000e+00  5.3160700000e-01 -1.4190400000e-01 -1.2024260000e+00  5.1687400000e-01 -1.0693080000e+00 -1.9186060000e+00 -2.8509900000e-01 -3.5590000000e-03
+ENERGY -1.526534218065e+02
+FORCES -4.2836000000e-03  5.5560000000e-03 -1.6252000000e-03 -2.6388000000e-03 -2.5450000000e-03  6.7570000000e-04  4.5717000000e-03 -2.8665000000e-03 -2.2000000000e-03 -3.6073000000e-03 -2.3957000000e-03 -1.0435000000e-03  2.8822000000e-03 -1.6028000000e-03  5.5409000000e-03  3.0759000000e-03  3.8540000000e-03 -1.3479000000e-03
+
+JOB 29
+COORDS -8.8433300000e-01  4.4419200000e-01 -1.1507940000e+00 -1.1829930000e+00  1.2711310000e+00 -1.5292200000e+00 -1.5275560000e+00  2.4548300000e-01 -4.7034400000e-01  9.9669800000e-01 -4.5249400000e-01  1.1306040000e+00  3.5194600000e-01 -3.5293900000e-01  4.3016400000e-01  5.2730900000e-01 -9.1493400000e-01  1.8249060000e+00
+ENERGY -1.526570000519e+02
+FORCES -3.8180000000e-03  5.8330000000e-03 -1.1039000000e-03  7.6000000000e-06 -4.2196000000e-03  1.3991000000e-03  6.3802000000e-03 -5.7140000000e-04 -1.2554000000e-03 -3.6353000000e-03  1.8650000000e-04 -3.9634000000e-03  5.5080000000e-04 -3.5126000000e-03  8.1983000000e-03  5.1460000000e-04  2.2840000000e-03 -3.2748000000e-03
+
+JOB 30
+COORDS -5.0599000000e-01 -3.6476000000e-02 -1.4809560000e+00  1.3263400000e-01 -2.8826500000e-01 -2.1480350000e+00  2.4133000000e-02  2.4792500000e-01 -7.3643100000e-01  4.9704800000e-01  5.8881000000e-02  1.4399660000e+00 -3.6854400000e-01  4.2490600000e-01  1.6216430000e+00  5.1299800000e-01 -7.6918400000e-01  1.9198470000e+00
+ENERGY -1.526599457611e+02
+FORCES  6.3640000000e-03 -4.0750000000e-04  3.9700000000e-03 -2.0484000000e-03  6.2710000000e-04  2.4294000000e-03 -5.0605000000e-03  1.4528000000e-03 -7.3480000000e-03 -3.8208000000e-03 -4.2090000000e-03  4.3521000000e-03  4.6394000000e-03 -1.5592000000e-03 -2.3015000000e-03 -7.3700000000e-05  4.0958000000e-03 -1.1020000000e-03
+
+JOB 31
+COORDS  7.9887400000e-01 -8.9995400000e-01  8.7514400000e-01  6.2747600000e-01 -1.8378810000e+00  7.9059800000e-01  1.2235240000e+00 -8.0953400000e-01  1.7282150000e+00 -7.9663200000e-01  9.9900900000e-01 -9.6303700000e-01 -1.6113250000e+00  5.0023800000e-01 -9.0193400000e-01 -2.4163700000e-01  6.3771200000e-01 -2.7189500000e-01
+ENERGY -1.526604034842e+02
+FORCES  1.7009000000e-03 -4.6289000000e-03  2.5788000000e-03  8.6130000000e-04  4.0950000000e-03  1.3866000000e-03 -2.0682000000e-03 -9.7590000000e-04 -3.9038000000e-03  1.8276000000e-03 -6.1511000000e-03  5.5666000000e-03  2.1733000000e-03  1.5479000000e-03 -7.4380000000e-04 -4.4950000000e-03  6.1130000000e-03 -4.8845000000e-03
+
+JOB 32
+COORDS -4.6506400000e-01 -7.1577600000e-01 -1.3081430000e+00 -1.4004720000e+00 -9.1843100000e-01 -1.3213270000e+00 -1.1140200000e-01 -1.2604190000e+00 -6.0492200000e-01  5.2122500000e-01  8.1189300000e-01  1.2568590000e+00  6.9283500000e-01  2.0891800000e-01  1.9801870000e+00 -1.3154300000e-01  3.6280800000e-01  7.1978400000e-01
+ENERGY -1.526547077763e+02
+FORCES -9.7400000000e-04 -5.1813000000e-03 -1.2053000000e-03  4.9199000000e-03  1.7832000000e-03  1.4572000000e-03 -3.3453000000e-03  5.5748000000e-03 -4.6480000000e-04 -2.8390000000e-03 -2.4468000000e-03 -2.2804000000e-03 -9.7260000000e-04  1.2997000000e-03 -4.1732000000e-03  3.2111000000e-03 -1.0296000000e-03  6.6664000000e-03
+
+JOB 33
+COORDS -1.0377960000e+00  2.1575700000e-01  1.1394220000e+00 -1.5744350000e+00 -4.6853100000e-01  1.5394230000e+00 -3.3706800000e-01  3.7199800000e-01  1.7725110000e+00  1.0169440000e+00 -1.7380300000e-01 -1.2662480000e+00  3.5303800000e-01 -1.9750900000e-01 -5.7711900000e-01  1.8380120000e+00 -3.7070000000e-01 -8.1534800000e-01
+ENERGY -1.526594457373e+02
+FORCES -2.4647000000e-03 -8.7690000000e-04  6.7322000000e-03  3.0397000000e-03  3.3826000000e-03 -1.5544000000e-03 -2.4164000000e-03 -1.9519000000e-03 -4.4046000000e-03 -3.0237000000e-03 -1.9100000000e-04  5.9669000000e-03  7.8788000000e-03 -1.2456000000e-03 -5.8598000000e-03 -3.0139000000e-03  8.8290000000e-04 -8.8030000000e-04
+
+JOB 34
+COORDS  5.6949500000e-01 -4.0117300000e-01  1.3791600000e+00  1.3523450000e+00 -1.0238400000e-01  1.8418720000e+00  3.1380000000e-02 -8.0993800000e-01  2.0570800000e+00 -6.2691400000e-01  4.3999100000e-01 -1.4210190000e+00  2.3294300000e-01  7.4723200000e-01 -1.7082150000e+00 -6.8403100000e-01 -4.5659300000e-01 -1.7513330000e+00
+ENERGY -1.526520293706e+02
+FORCES -6.9820000000e-04  3.3990000000e-04  4.4196000000e-03 -3.1655000000e-03 -1.0083000000e-03 -2.8550000000e-03  2.4657000000e-03  1.3287000000e-03 -3.0322000000e-03  5.4087000000e-03 -3.6857000000e-03  1.3144000000e-03 -3.4216000000e-03 -4.5150000000e-04 -1.7980000000e-04 -5.8910000000e-04  3.4768000000e-03  3.3300000000e-04
+
+JOB 35
+COORDS -5.5662500000e-01 -2.9577600000e-01  1.5621950000e+00 -1.2304200000e+00  3.1798300000e-01  1.2697370000e+00  2.3199000000e-01 -2.9537000000e-02  1.0895050000e+00  6.0327500000e-01  2.7544100000e-01 -1.4776630000e+00  3.4907500000e-01 -6.3752200000e-01 -1.6122440000e+00  2.9468000000e-02  7.7273600000e-01 -2.0604800000e+00
+ENERGY -1.526583325792e+02
+FORCES  1.8432000000e-03  5.2231000000e-03 -5.5675000000e-03  1.2160000000e-03 -2.5172000000e-03  1.7351000000e-03 -3.0642000000e-03 -2.8020000000e-03  5.1184000000e-03 -3.5417000000e-03 -2.2661000000e-03 -4.6727000000e-03  1.4056000000e-03  4.6075000000e-03  6.5170000000e-04  2.1411000000e-03 -2.2453000000e-03  2.7350000000e-03
+
+JOB 36
+COORDS -1.2221740000e+00 -2.0549900000e-01 -1.0628780000e+00 -1.7554960000e+00 -9.4638800000e-01 -7.7498500000e-01 -6.0588300000e-01 -5.8296500000e-01 -1.6905220000e+00  1.2543350000e+00  2.0804200000e-01  1.0776010000e+00  1.5626770000e+00  1.0388090000e+00  1.4395160000e+00  3.5850100000e-01  3.8820300000e-01  7.9254800000e-01
+ENERGY -1.526596403348e+02
+FORCES -5.8900000000e-05 -5.7764000000e-03 -3.9661000000e-03  2.5614000000e-03  3.4691000000e-03 -9.5220000000e-04 -3.5527000000e-03  1.6435000000e-03  2.6074000000e-03 -4.2813000000e-03  3.6733000000e-03 -1.2668000000e-03 -1.3589000000e-03 -2.9469000000e-03 -1.5091000000e-03  6.6904000000e-03 -6.2600000000e-05  5.0868000000e-03
+
+JOB 37
+COORDS  2.6911500000e-01 -5.1478500000e-01  1.5839740000e+00  5.0562300000e-01 -3.9456600000e-01  6.6427600000e-01  1.0818450000e+00 -3.5478200000e-01  2.0636620000e+00 -2.7231100000e-01  5.0230000000e-01 -1.5414910000e+00 -7.3380500000e-01  4.4356300000e-01 -2.3780340000e+00 -9.6433900000e-01  4.5555700000e-01 -8.8183700000e-01
+ENERGY -1.526585893901e+02
+FORCES  5.7398000000e-03  1.0151000000e-03 -2.3508000000e-03 -3.3929000000e-03 -3.1220000000e-04  6.4292000000e-03 -3.0062000000e-03 -8.8070000000e-04 -1.6940000000e-03 -5.9878000000e-03  4.1640000000e-04 -2.9063000000e-03  1.4029000000e-03  7.6430000000e-04  3.5982000000e-03  5.2442000000e-03 -1.0029000000e-03 -3.0763000000e-03
+
+JOB 38
+COORDS -1.0403880000e+00  1.1183010000e+00  8.0221100000e-01 -1.2787660000e+00  5.2675400000e-01  8.8433000000e-02 -3.5435100000e-01  1.6748660000e+00  4.3367400000e-01  1.0061620000e+00 -1.0694240000e+00 -7.7965800000e-01  5.6539100000e-01 -1.3581210000e+00  1.9471000000e-02  1.7045130000e+00 -1.7102360000e+00 -9.1343300000e-01
+ENERGY -1.526573008599e+02
+FORCES  2.8195000000e-03  8.8340000000e-04 -6.2341000000e-03  2.5240000000e-04  1.2090000000e-03  4.5945000000e-03 -3.4690000000e-03 -1.1700000000e-03  2.4616000000e-03  2.0821000000e-03 -4.3252000000e-03  3.2041000000e-03  1.1641000000e-03  7.5140000000e-04 -4.9886000000e-03 -2.8491000000e-03  2.6514000000e-03  9.6250000000e-04
+
+JOB 39
+COORDS  3.2840300000e-01  1.0181960000e+00 -1.3548210000e+00 -2.9453400000e-01  1.2016430000e+00 -6.5159500000e-01  1.0954690000e+00  1.5491470000e+00 -1.1405000000e+00 -2.9548500000e-01 -1.0016510000e+00  1.3318230000e+00 -2.6624500000e-01 -1.3507380000e+00  4.4102800000e-01 -9.5236800000e-01 -1.5363830000e+00  1.7776910000e+00
+ENERGY -1.526578696612e+02
+FORCES  9.7510000000e-04  3.6805000000e-03  5.1434000000e-03  2.2634000000e-03 -4.7380000000e-04 -4.8608000000e-03 -3.0244000000e-03 -1.7520000000e-03 -1.3616000000e-03 -1.3340000000e-03 -4.8316000000e-03 -2.1417000000e-03 -1.4934000000e-03  1.0562000000e-03  5.3479000000e-03  2.6134000000e-03  2.3207000000e-03 -2.1272000000e-03
+
+JOB 40
+COORDS  6.2569500000e-01 -1.5332940000e+00 -3.5451300000e-01 -2.9013600000e-01 -1.2577410000e+00 -3.9396500000e-01  6.4071600000e-01 -2.3807160000e+00 -7.9935200000e-01 -6.1196600000e-01  1.5477160000e+00  3.3776100000e-01 -8.0017700000e-01  2.2246050000e+00  9.8786100000e-01  2.7686300000e-01  1.2580010000e+00  5.4338600000e-01
+ENERGY -1.526582860330e+02
+FORCES -4.2882000000e-03 -2.4459000000e-03 -2.4972000000e-03  5.2118000000e-03 -2.8596000000e-03  1.0380000000e-04 -4.6860000000e-04  3.2272000000e-03  1.7411000000e-03  3.7758000000e-03  2.3228000000e-03  3.6163000000e-03  1.0371000000e-03 -2.5830000000e-03 -2.5902000000e-03 -5.2678000000e-03  2.3385000000e-03 -3.7380000000e-04
+
+JOB 41
+COORDS -8.0123500000e-01 -1.3803190000e+00 -5.2277500000e-01 -1.5212780000e+00 -8.5403100000e-01 -8.7032600000e-01 -1.2139750000e+00 -2.1980870000e+00 -2.4504800000e-01  8.3382600000e-01  1.4035060000e+00  5.8694900000e-01  7.8914100000e-01  2.0292940000e+00 -1.3597800000e-01  1.3953780000e+00  7.0013100000e-01  2.6113400000e-01
+ENERGY -1.526549050489e+02
+FORCES -5.4045000000e-03 -4.5600000000e-05  7.8630000000e-04  2.7362000000e-03 -2.8294000000e-03  4.0100000000e-04  1.7644000000e-03  3.3741000000e-03 -1.1315000000e-03  1.6748000000e-03 -2.9493000000e-03 -4.5148000000e-03 -3.5870000000e-04 -2.2693000000e-03  2.7275000000e-03 -4.1220000000e-04  4.7195000000e-03  1.7316000000e-03
+
+JOB 42
+COORDS  1.0229200000e-01 -1.3908250000e+00 -9.6632700000e-01  4.4148100000e-01 -2.2397760000e+00 -6.8266200000e-01  8.3310400000e-01 -9.8367800000e-01 -1.4314910000e+00 -1.4112900000e-01  1.4139020000e+00  1.0382810000e+00 -2.3921200000e-01  2.1719350000e+00  4.6208900000e-01 -3.9687700000e-01  6.6668200000e-01  4.9746000000e-01
+ENERGY -1.526587931720e+02
+FORCES  5.4338000000e-03 -4.3195000000e-03 -1.1780000000e-03 -1.2180000000e-03  3.5417000000e-03 -1.9011000000e-03 -3.7741000000e-03 -1.2951000000e-03  2.1908000000e-03 -2.1322000000e-03 -2.2172000000e-03 -4.7798000000e-03  8.0180000000e-04 -2.8625000000e-03  1.8478000000e-03  8.8870000000e-04  7.1526000000e-03  3.8204000000e-03
+
+JOB 43
+COORDS  7.3665800000e-01  6.2282600000e-01  1.5117920000e+00  9.0896100000e-01  1.3246150000e+00  8.8406900000e-01  8.8173000000e-02  6.7544000000e-02  1.0789400000e+00 -7.4993200000e-01 -6.1074500000e-01 -1.5072320000e+00 -1.0003740000e+00 -7.7244900000e-01 -5.9763700000e-01  1.8360600000e-01 -8.1972100000e-01 -1.5398960000e+00
+ENERGY -1.526526875894e+02
+FORCES -2.2896000000e-03  2.4754000000e-03 -4.8082000000e-03  2.9300000000e-05 -3.3348000000e-03  3.2466000000e-03  1.4620000000e-03 -4.6520000000e-04  7.1570000000e-04  2.4292000000e-03 -3.4927000000e-03  1.7933000000e-03  3.0836000000e-03  2.9939000000e-03 -1.6415000000e-03 -4.7145000000e-03  1.8234000000e-03  6.9410000000e-04
+
+JOB 44
+COORDS  1.3134640000e+00  8.4829500000e-01 -7.8234000000e-01  1.9811640000e+00  5.6677700000e-01 -1.4077640000e+00  4.9385900000e-01  8.1656600000e-01 -1.2757690000e+00 -1.3034980000e+00 -7.8479200000e-01  8.9004200000e-01 -9.5734100000e-01 -7.5630700000e-01 -1.9190000000e-03 -1.7116440000e+00 -1.6476500000e+00  9.6163100000e-01
+ENERGY -1.526526906434e+02
+FORCES  6.3060000000e-04  4.4120000000e-04 -4.6590000000e-03 -3.1103000000e-03  1.0924000000e-03  2.9107000000e-03  2.6470000000e-03 -2.2744000000e-03  2.9753000000e-03  1.3466000000e-03 -3.5453000000e-03 -2.8521000000e-03 -3.3412000000e-03  6.4720000000e-04  1.8767000000e-03  1.8272000000e-03  3.6388000000e-03 -2.5160000000e-04
+
+JOB 45
+COORDS  1.2813500000e-01  8.2515900000e-01 -1.5928180000e+00 -4.9847400000e-01  1.4933870000e+00 -1.3152110000e+00 -3.6936900000e-01  7.5930000000e-03 -1.5752930000e+00 -6.7975000000e-02 -8.8178700000e-01  1.5704530000e+00  6.4727800000e-01 -3.0650000000e-01  1.2989950000e+00 -7.2061400000e-01 -2.9175700000e-01  1.9474920000e+00
+ENERGY -1.526565619005e+02
+FORCES -5.4685000000e-03 -1.7114000000e-03  2.6950000000e-04  2.8681000000e-03 -2.5537000000e-03 -4.3940000000e-04  2.2397000000e-03  4.4071000000e-03 -1.0044000000e-03  1.6791000000e-03  5.3069000000e-03  5.0320000000e-04 -3.4850000000e-03 -3.1062000000e-03  2.6563000000e-03  2.1666000000e-03 -2.3428000000e-03 -1.9852000000e-03
+
+JOB 46
+COORDS -1.6271090000e+00 -4.1026900000e-01 -6.4924500000e-01 -1.2137160000e+00 -9.9642100000e-01 -1.2830930000e+00 -1.4035720000e+00  4.6907900000e-01 -9.5421800000e-01  1.6410430000e+00  4.5760800000e-01  6.9146900000e-01  1.8773350000e+00 -4.4085700000e-01  9.2203300000e-01  7.0221800000e-01  4.1948600000e-01  5.0874500000e-01
+ENERGY -1.526568584816e+02
+FORCES -4.2880000000e-04  4.5450000000e-04 -6.4507000000e-03 -1.4708000000e-03  2.7208000000e-03  3.5475000000e-03  5.9910000000e-04 -4.3599000000e-03  3.1776000000e-03 -4.2203000000e-03 -4.8263000000e-03  1.3123000000e-03 -2.1580000000e-04  3.5004000000e-03 -1.1686000000e-03  5.7365000000e-03  2.5105000000e-03 -4.1800000000e-04
+
+JOB 47
+COORDS  1.5622390000e+00 -8.8732800000e-01 -1.9715000000e-02  1.9467050000e+00 -1.7618800000e+00 -7.9527000000e-02  7.3888200000e-01 -9.5354200000e-01 -5.0337900000e-01 -1.5769280000e+00  8.8459400000e-01  2.4096000000e-02 -7.6171200000e-01  1.2312220000e+00 -3.3853800000e-01 -1.7317820000e+00  1.4084120000e+00  8.1014000000e-01
+ENERGY -1.526562762398e+02
+FORCES -2.5382000000e-03 -4.8683000000e-03 -1.5559000000e-03 -1.5600000000e-03  3.4194000000e-03  2.7520000000e-04  5.1382000000e-03  1.3704000000e-03  8.4480000000e-04  2.7949000000e-03  4.6643000000e-03  3.3902000000e-03 -3.8835000000e-03 -2.8755000000e-03  5.2690000000e-04  4.8600000000e-05 -1.7104000000e-03 -3.4812000000e-03
+
+JOB 48
+COORDS -1.3850100000e-01  1.3633690000e+00 -1.2275620000e+00 -4.7997700000e-01  1.9515920000e+00 -1.9010750000e+00 -1.9477800000e-01  4.9176500000e-01 -1.6191880000e+00  1.3131500000e-01 -1.3854300000e+00  1.2447270000e+00  5.3206500000e-01 -1.6365860000e+00  2.0769240000e+00  2.7222100000e-01 -4.4047900000e-01  1.1860230000e+00
+ENERGY -1.526572721994e+02
+FORCES -2.1285000000e-03 -8.4040000000e-04 -5.3301000000e-03  1.4365000000e-03 -2.5475000000e-03  2.4012000000e-03  4.0300000000e-04  4.5362000000e-03  1.7416000000e-03  2.0945000000e-03  3.6442000000e-03  3.3916000000e-03 -1.5930000000e-03  1.0355000000e-03 -3.1402000000e-03 -2.1240000000e-04 -5.8280000000e-03  9.3600000000e-04
+
+JOB 49
+COORDS  9.7056000000e-01  1.8835700000e-01  1.6409860000e+00  3.1595700000e-01  9.4772000000e-02  9.4891000000e-01  1.5847640000e+00 -5.2991300000e-01  1.4890870000e+00 -1.0019460000e+00 -1.0828000000e-01 -1.5469370000e+00 -1.3794080000e+00 -7.8104400000e-01 -2.1136310000e+00 -8.4031000000e-02 -5.7288000000e-02 -1.8135130000e+00
+ENERGY -1.526567043454e+02
+FORCES -1.9627000000e-03 -3.3658000000e-03 -3.2956000000e-03  5.5351000000e-03  7.2030000000e-04  4.0219000000e-03 -2.1012000000e-03  2.9205000000e-03  1.8930000000e-04  4.6910000000e-04 -2.4483000000e-03 -5.9713000000e-03  1.9664000000e-03  3.0526000000e-03  2.1798000000e-03 -3.9067000000e-03 -8.7940000000e-04  2.8759000000e-03
+
+JOB 50
+COORDS -4.4749400000e-01 -1.6712820000e+00  7.2734000000e-01 -2.5265800000e-01 -2.1558590000e+00  1.5294970000e+00  8.1846000000e-02 -8.7643700000e-01  7.9255600000e-01  4.1709500000e-01  1.7016300000e+00 -8.1638700000e-01 -4.1240500000e-01  1.4421430000e+00 -4.1535200000e-01  1.0694040000e+00  1.1321580000e+00 -4.0843300000e-01
+ENERGY -1.526527084282e+02
+FORCES  2.9878000000e-03 -1.9330000000e-04  4.2458000000e-03 -7.9890000000e-04  2.2058000000e-03 -3.7065000000e-03 -2.1768000000e-03 -1.6378000000e-03 -1.1009000000e-03 -1.2566000000e-03 -2.7263000000e-03  1.6920000000e-03  5.0145000000e-03  8.8510000000e-04 -8.5440000000e-04 -3.7701000000e-03  1.4664000000e-03 -2.7610000000e-04
+
+JOB 51
+COORDS  1.2659000000e-01  1.1322180000e+00  1.4973970000e+00  4.1919000000e-02  6.0651700000e-01  2.2928220000e+00  1.0182890000e+00  9.6433800000e-01  1.1925680000e+00 -1.4628100000e-01 -1.1103550000e+00 -1.5781140000e+00 -1.0418190000e+00 -1.2758110000e+00 -1.2833820000e+00  2.3078800000e-01 -5.5188600000e-01 -8.9828700000e-01
+ENERGY -1.526557772348e+02
+FORCES  3.7341000000e-03 -9.3890000000e-04  4.6968000000e-03  2.9290000000e-04  2.1961000000e-03 -3.9122000000e-03 -5.0062000000e-03 -6.2520000000e-04 -2.7340000000e-04 -3.4258000000e-03  2.9872000000e-03  4.7680000000e-03  3.4420000000e-03 -3.0900000000e-04 -1.7127000000e-03  9.6300000000e-04 -3.3102000000e-03 -3.5665000000e-03
+
+JOB 52
+COORDS  1.6160980000e+00  7.9164300000e-01 -4.9040700000e-01  1.4894000000e+00 -1.4857000000e-01 -6.1760700000e-01  2.4656030000e+00  9.7572300000e-01 -8.9126600000e-01 -1.6262340000e+00 -7.4031200000e-01  4.7306700000e-01 -1.2999630000e+00 -9.2206100000e-01  1.3543990000e+00 -2.5764680000e+00 -6.8689800000e-01  5.7521400000e-01
+ENERGY -1.526545154851e+02
+FORCES  1.6385000000e-03 -3.6285000000e-03 -2.6352000000e-03  2.3840000000e-03  3.9257000000e-03  8.8080000000e-04 -3.5499000000e-03 -6.2780000000e-04  1.6512000000e-03 -3.0392000000e-03  7.4800000000e-04  4.2649000000e-03 -1.2534000000e-03 -2.5000000000e-05 -3.8858000000e-03  3.8200000000e-03 -3.9230000000e-04 -2.7580000000e-04
+
+JOB 53
+COORDS  8.1929000000e-02  1.3147440000e+00  1.2613640000e+00 -5.5836000000e-02  9.1396700000e-01  2.1196370000e+00  3.3527500000e-01  2.2171090000e+00  1.4557470000e+00 -4.8904000000e-02 -1.3932990000e+00 -1.2990210000e+00 -4.0272000000e-01 -6.0269500000e-01 -8.9160300000e-01 -3.8061200000e-01 -1.3697600000e+00 -2.1965990000e+00
+ENERGY -1.526571061619e+02
+FORCES  1.5284000000e-03  2.6589000000e-03  5.2283000000e-03  3.2360000000e-04  2.0700000000e-03 -3.6329000000e-03 -1.1825000000e-03 -3.7370000000e-03 -4.2800000000e-04 -2.2562000000e-03  4.6526000000e-03 -8.1050000000e-04  3.1150000000e-04 -5.5637000000e-03 -3.6852000000e-03  1.2752000000e-03 -8.0900000000e-05  3.3283000000e-03
+
+JOB 54
+COORDS -9.6954500000e-01  4.4871500000e-01 -1.6485330000e+00 -7.5605200000e-01 -4.7329400000e-01 -1.5051740000e+00 -1.4013300000e-01  9.0954600000e-01 -1.5222710000e+00  8.8387500000e-01 -4.6305100000e-01  1.5869430000e+00  1.1094890000e+00 -6.7796200000e-01  2.4920090000e+00  1.1556280000e+00  4.4873100000e-01  1.4818950000e+00
+ENERGY -1.526550310313e+02
+FORCES  4.4686000000e-03 -3.0998000000e-03  2.3579000000e-03 -1.3773000000e-03  3.9061000000e-03 -2.1566000000e-03 -3.1097000000e-03 -8.3940000000e-04 -5.3180000000e-04  1.5940000000e-03  2.8973000000e-03  4.5268000000e-03 -8.7990000000e-04  1.0054000000e-03 -3.7830000000e-03 -6.9580000000e-04 -3.8697000000e-03 -4.1320000000e-04
+
+JOB 55
+COORDS  7.6148800000e-01  1.7881290000e+00 -1.0285500000e-01 -2.6458000000e-02  2.3310540000e+00 -7.8227000000e-02  6.1425500000e-01  1.1843660000e+00 -8.3088300000e-01 -6.6484300000e-01 -1.8281820000e+00  1.1246000000e-01 -1.2180470000e+00 -1.1359290000e+00 -2.4945400000e-01 -8.4782200000e-01 -1.8150910000e+00  1.0519170000e+00
+ENERGY -1.526539975965e+02
+FORCES -2.4882000000e-03 -5.6650000000e-04 -3.2337000000e-03  2.8279000000e-03 -2.8824000000e-03  9.0400000000e-05 -4.6640000000e-04  3.4371000000e-03  2.9040000000e-03 -2.6536000000e-03  2.9970000000e-03  3.8620000000e-03  2.6031000000e-03 -2.3468000000e-03  4.3650000000e-04  1.7720000000e-04 -6.3840000000e-04 -4.0592000000e-03
+
+JOB 56
+COORDS -1.7682910000e+00 -4.6096300000e-01  9.9416800000e-01 -8.6335000000e-01 -3.4475000000e-01  7.0467100000e-01 -2.0159670000e+00 -1.3255180000e+00  6.6639500000e-01  1.7229340000e+00  4.4916500000e-01 -9.2314800000e-01  2.1575000000e+00  5.2873700000e-01 -1.7722960000e+00  1.4598120000e+00  1.3429030000e+00 -7.0352900000e-01
+ENERGY -1.526566246769e+02
+FORCES  3.6489000000e-03 -3.4579000000e-03 -3.0421000000e-03 -5.1656000000e-03  2.6550000000e-04  2.3410000000e-03  4.9910000000e-04  3.2565000000e-03  1.4381000000e-03  2.0305000000e-03  4.3887000000e-03 -3.7032000000e-03 -1.6498000000e-03 -7.0700000000e-05  3.6022000000e-03  6.3680000000e-04 -4.3821000000e-03 -6.3600000000e-04
+
+JOB 57
+COORDS -1.2054820000e+00  9.3902800000e-01  1.3147310000e+00 -2.0101500000e+00  1.3752690000e+00  1.0346690000e+00 -7.9267700000e-01  1.5595190000e+00  1.9154110000e+00  1.2727980000e+00 -1.0216790000e+00 -1.3120670000e+00  3.9864300000e-01 -1.3831350000e+00 -1.1656640000e+00  1.1384160000e+00 -3.1852000000e-01 -1.9474740000e+00
+ENERGY -1.526545713230e+02
+FORCES -8.9900000000e-04  4.6070000000e-03  2.1603000000e-03  3.4103000000e-03 -2.0391000000e-03  7.0500000000e-04 -2.1534000000e-03 -2.3543000000e-03 -2.4376000000e-03 -5.1113000000e-03  2.1587000000e-03 -5.1620000000e-04  3.8554000000e-03  4.9560000000e-04 -1.8001000000e-03  8.9800000000e-04 -2.8678000000e-03  1.8886000000e-03
+
+JOB 58
+COORDS -1.4618300000e-01  2.0572230000e+00  4.3670400000e-01  6.7982300000e-01  1.8262750000e+00  8.6168600000e-01  5.0815000000e-02  2.0333300000e+00 -4.9970000000e-01  1.4131900000e-01 -2.0145190000e+00 -4.4573000000e-01 -3.4380100000e-01 -1.6059240000e+00  2.7116700000e-01 -2.2121400000e-01 -2.8982320000e+00 -5.0781300000e-01
+ENERGY -1.526558921880e+02
+FORCES  4.7245000000e-03 -5.4820000000e-04 -2.8737000000e-03 -3.7640000000e-03  8.0340000000e-04 -1.3100000000e-03 -1.0120000000e-03  6.1880000000e-04  4.1241000000e-03 -4.0028000000e-03 -1.8830000000e-03  2.7484000000e-03  2.6154000000e-03 -2.5498000000e-03 -2.9816000000e-03  1.4389000000e-03  3.5588000000e-03  2.9270000000e-04
+
+JOB 59
+COORDS -2.8966200000e-01 -5.9945300000e-01  2.0892610000e+00  5.3130200000e-01 -1.0981400000e-01  2.0392280000e+00 -5.9582700000e-01 -4.6364300000e-01  2.9859500000e+00  2.5588000000e-01  5.9438900000e-01 -2.0923050000e+00  1.7075500000e-01  9.0186500000e-01 -2.9947700000e+00  3.8449900000e-01 -3.5078300000e-01 -2.1719210000e+00
+ENERGY -1.526543312566e+02
+FORCES  2.0219000000e-03  3.3403000000e-03  2.9216000000e-03 -3.1481000000e-03 -2.5646000000e-03  8.3830000000e-04  1.2241000000e-03 -6.2780000000e-04 -3.5485000000e-03 -4.5660000000e-04 -3.0637000000e-03 -3.7397000000e-03  3.7240000000e-04 -1.1892000000e-03  3.6637000000e-03 -1.3800000000e-05  4.1050000000e-03 -1.3540000000e-04
+
+JOB 60
+COORDS  1.2774600000e-01  4.6061900000e-01 -2.2750460000e+00  4.6776400000e-01  1.0468840000e+00 -1.5990920000e+00 -6.7773000000e-02 -3.5323400000e-01 -1.8106680000e+00 -1.6983900000e-01 -4.0957100000e-01  2.1694180000e+00  7.7427600000e-01 -4.8117500000e-01  2.3099620000e+00 -5.4816200000e-01 -1.0851610000e+00  2.7321640000e+00
+ENERGY -1.526554198411e+02
+FORCES -1.6970000000e-04 -8.6650000000e-04  5.6635000000e-03 -6.7430000000e-04 -2.0502000000e-03 -3.3297000000e-03  1.1688000000e-03  2.9044000000e-03 -2.8472000000e-03  1.8865000000e-03 -3.1334000000e-03  4.0999000000e-03 -3.9631000000e-03  3.7440000000e-04 -1.1774000000e-03  1.7517000000e-03  2.7713000000e-03 -2.4091000000e-03
+
+JOB 61
+COORDS  3.8149200000e-01 -1.4105850000e+00 -1.6649850000e+00 -6.5894000000e-02 -2.2540690000e+00 -1.7328970000e+00  1.2853860000e+00 -1.5972440000e+00 -1.9186910000e+00 -4.0949200000e-01  1.4885010000e+00  1.7519490000e+00  1.5431300000e-01  8.2406400000e-01  1.3558690000e+00 -9.3883200000e-01  1.8179990000e+00  1.0256820000e+00
+ENERGY -1.526559871653e+02
+FORCES  1.7504000000e-03 -4.8939000000e-03 -2.1006000000e-03  2.0037000000e-03  3.5414000000e-03  2.3560000000e-04 -3.7936000000e-03  8.4840000000e-04  1.2835000000e-03  1.5550000000e-04 -2.0420000000e-03 -5.4694000000e-03 -1.9170000000e-03  3.2602000000e-03  2.7636000000e-03  1.8010000000e-03 -7.1410000000e-04  3.2873000000e-03
+
+JOB 62
+COORDS  4.2165500000e-01 -2.3189730000e+00 -3.9322500000e-01  1.8776200000e-01 -1.4103450000e+00 -2.0369800000e-01 -2.3736600000e-01 -2.6099640000e+00 -1.0235000000e+00 -3.3022200000e-01  2.2276400000e+00  4.1475900000e-01 -3.4891100000e-01  2.9441530000e+00  1.0491820000e+00 -1.0295860000e+00  2.4369770000e+00 -2.0435300000e-01
+ENERGY -1.526553769018e+02
+FORCES -3.3361000000e-03  3.3270000000e-03 -1.3499000000e-03  6.8730000000e-04 -4.9986000000e-03 -1.3258000000e-03  2.5136000000e-03  1.0776000000e-03  2.3905000000e-03 -2.6096000000e-03  4.7980000000e-03  5.8380000000e-04 -1.1150000000e-04 -2.8300000000e-03 -2.8105000000e-03  2.8564000000e-03 -1.3740000000e-03  2.5118000000e-03
+
+JOB 63
+COORDS -5.0160700000e-01  6.7899400000e-01  2.3578040000e+00 -3.1087200000e-01 -6.6390000000e-02  1.7883700000e+00 -9.8802700000e-01  1.2875600000e+00  1.8016780000e+00  4.8335100000e-01 -6.1536500000e-01 -2.2723440000e+00  1.2284330000e+00 -6.2117900000e-01 -2.8732200000e+00  2.9885200000e-01 -1.5404570000e+00 -2.1098690000e+00
+ENERGY -1.526550406116e+02
+FORCES -8.8020000000e-04 -3.2240000000e-04 -5.4358000000e-03 -9.6590000000e-04  2.4867000000e-03  3.0184000000e-03  1.6536000000e-03 -2.2927000000e-03  2.7560000000e-03  2.7179000000e-03 -3.7344000000e-03 -2.6476000000e-03 -3.1762000000e-03 -1.1800000000e-04  2.4499000000e-03  6.5070000000e-04  3.9808000000e-03 -1.4090000000e-04
+
+JOB 64
+COORDS  1.8035720000e+00  1.1324450000e+00 -1.3182990000e+00  9.8950300000e-01  9.7979800000e-01 -8.3848400000e-01  1.5803150000e+00  9.5552400000e-01 -2.2321300000e+00 -1.7964450000e+00 -1.0703360000e+00  1.3265400000e+00 -1.2354770000e+00 -9.6882600000e-01  2.0954620000e+00 -1.5141800000e+00 -1.8948850000e+00  9.3071600000e-01
+ENERGY -1.526551609770e+02
+FORCES -4.7074000000e-03 -1.0434000000e-03 -1.7515000000e-03  4.0887000000e-03  5.7430000000e-04 -2.0749000000e-03  1.0594000000e-03  5.9910000000e-04  3.6127000000e-03  2.8467000000e-03 -3.6441000000e-03  2.3799000000e-03 -2.2412000000e-03 -2.2970000000e-04 -3.5284000000e-03 -1.0462000000e-03  3.7438000000e-03  1.3622000000e-03
+
+JOB 65
+COORDS -1.3931300000e-01  2.2244890000e+00  1.2246770000e+00 -7.1173200000e-01  2.2160400000e+00  4.5754100000e-01  2.1335400000e-01  1.3358190000e+00  1.2707590000e+00  1.9269200000e-01 -2.1812670000e+00 -1.2306590000e+00  3.1768100000e-01 -2.0243690000e+00 -2.9471500000e-01 -7.5696400000e-01 -2.2267130000e+00 -1.3416580000e+00
+ENERGY -1.526536827160e+02
+FORCES -5.1300000000e-04 -3.2579000000e-03 -3.4286000000e-03  2.1237000000e-03 -9.1500000000e-05  3.4603000000e-03 -1.7380000000e-03  3.1532000000e-03  1.2730000000e-04 -3.3474000000e-03 -6.9860000000e-04  3.0603000000e-03 -5.9410000000e-04  2.8590000000e-04 -3.8135000000e-03  4.0688000000e-03  6.0890000000e-04  5.9420000000e-04
+
+JOB 66
+COORDS  1.7131540000e+00 -1.8085430000e+00 -3.8855500000e-01  1.0506620000e+00 -1.2530440000e+00 -7.9935700000e-01  2.5377250000e+00 -1.3435710000e+00 -5.3038700000e-01 -1.7148500000e+00  1.7668630000e+00  3.5207300000e-01 -1.3196050000e+00  2.2208810000e+00  1.0963050000e+00 -2.2198420000e+00  1.0553210000e+00  7.4567700000e-01
+ENERGY -1.526551658517e+02
+FORCES  4.6310000000e-04  4.5136000000e-03 -2.5126000000e-03  2.9598000000e-03 -2.8759000000e-03  1.7522000000e-03 -3.1625000000e-03 -1.9666000000e-03  6.6990000000e-04 -9.2470000000e-04 -7.3960000000e-04  5.1321000000e-03 -1.5567000000e-03 -1.8454000000e-03 -3.1902000000e-03  2.2209000000e-03  2.9138000000e-03 -1.8514000000e-03
+
+JOB 67
+COORDS  8.0240500000e-01 -1.5392880000e+00  1.8053200000e+00  1.0747700000e+00 -2.2884810000e+00  1.2754520000e+00 -1.3410500000e-01 -1.6750270000e+00  1.9493890000e+00 -8.1092000000e-01  1.5802580000e+00 -1.7340070000e+00 -3.0453700000e-01  2.3775700000e+00 -1.8892560000e+00 -5.0433700000e-01  9.6731500000e-01 -2.4022430000e+00
+ENERGY -1.526539210493e+02
+FORCES -3.2025000000e-03 -3.0844000000e-03 -1.7863000000e-03 -9.4620000000e-04  2.9669000000e-03  2.0678000000e-03  3.9784000000e-03  1.1170000000e-04 -3.0970000000e-04  3.8465000000e-03  7.9820000000e-04 -2.9131000000e-03 -2.2224000000e-03 -3.1618000000e-03  3.9230000000e-04 -1.4539000000e-03  2.3693000000e-03  2.5491000000e-03
+
+JOB 68
+COORDS -9.9197800000e-01 -1.4628870000e+00 -1.8706640000e+00 -8.9844900000e-01 -1.0777700000e+00 -2.7419670000e+00 -4.7369600000e-01 -8.9506600000e-01 -1.3004060000e+00  9.4762000000e-01  1.4208910000e+00  1.8185880000e+00  1.7615820000e+00  1.3790520000e+00  2.3205330000e+00  2.6088700000e-01  1.2354850000e+00  2.4590990000e+00
+ENERGY -1.526554161500e+02
+FORCES  2.7773000000e-03  4.2769000000e-03 -8.8300000000e-04 -4.4780000000e-04 -1.6587000000e-03  3.3107000000e-03 -2.5280000000e-03 -2.9107000000e-03 -2.8181000000e-03  6.8190000000e-04 -5.9020000000e-04  5.2524000000e-03 -3.3946000000e-03  1.7950000000e-04 -2.0679000000e-03  2.9112000000e-03  7.0320000000e-04 -2.7940000000e-03
+
+JOB 69
+COORDS  1.6113620000e+00 -3.2012700000e-01 -1.9794770000e+00  1.6545540000e+00 -1.2736090000e+00 -1.9070960000e+00  2.3101120000e+00 -4.0700000000e-03 -1.4066870000e+00 -1.6397080000e+00  3.8318100000e-01  1.9905940000e+00 -1.3005200000e+00  5.7734900000e-01  1.1168200000e+00 -2.2297370000e+00 -3.5905700000e-01  1.8595140000e+00
+ENERGY -1.526550328954e+02
+FORCES  3.8096000000e-03 -2.7169000000e-03  2.2163000000e-03 -4.4250000000e-04  3.9886000000e-03 -2.0200000000e-04 -3.1460000000e-03 -1.2999000000e-03 -2.3403000000e-03 -1.0747000000e-03 -2.0254000000e-03 -4.5283000000e-03 -1.5258000000e-03 -8.0820000000e-04  4.1733000000e-03  2.3794000000e-03  2.8618000000e-03  6.8110000000e-04
+
+JOB 70
+COORDS -9.3612700000e-01  8.0152000000e-02  2.4586410000e+00 -2.7949500000e-01  6.5168700000e-01  2.8566530000e+00 -6.1101900000e-01 -7.8091000000e-02  1.5723590000e+00  8.8487100000e-01 -6.0999000000e-02 -2.3784390000e+00  1.3290380000e+00 -7.1718000000e-02 -3.2262790000e+00  3.0828900000e-01 -8.2475600000e-01 -2.3999000000e+00
+ENERGY -1.526549809911e+02
+FORCES  4.3045000000e-03  2.0466000000e-03 -2.3772000000e-03 -2.7211000000e-03 -2.3315000000e-03 -1.2882000000e-03 -1.7617000000e-03  1.3480000000e-04  3.9293000000e-03 -3.3350000000e-04 -3.0424000000e-03 -4.3096000000e-03 -1.8673000000e-03 -4.3300000000e-05  3.4581000000e-03  2.3791000000e-03  3.2358000000e-03  5.8760000000e-04
+
+JOB 71
+COORDS -1.2707290000e+00 -8.0757000000e-02  2.2209560000e+00 -1.7396200000e+00 -8.8670100000e-01  2.4373540000e+00 -1.4873170000e+00  5.2140900000e-01  2.9327970000e+00  1.3126320000e+00  3.2964000000e-02 -2.2410270000e+00  1.0814070000e+00  2.4320900000e-01 -3.1457720000e+00  1.4179460000e+00  8.8424500000e-01 -1.8162200000e+00
+ENERGY -1.526538620461e+02
+FORCES -2.7621000000e-03 -1.3295000000e-03  3.6077000000e-03  1.7874000000e-03  3.4277000000e-03 -6.6950000000e-04  9.5230000000e-04 -2.3118000000e-03 -3.0011000000e-03 -9.1990000000e-04  4.4316000000e-03 -1.2505000000e-03  9.7640000000e-04 -9.2180000000e-04  3.5583000000e-03 -3.4100000000e-05 -3.2963000000e-03 -2.2450000000e-03
+
+JOB 72
+COORDS -1.1864350000e+00  7.6133500000e-01 -2.2676950000e+00 -2.7357700000e-01  5.9541600000e-01 -2.0323370000e+00 -1.4423450000e+00 -2.3700000000e-04 -2.7880310000e+00  1.1192670000e+00 -6.9312700000e-01  2.2330710000e+00  1.2232150000e+00 -1.6124200000e+00  2.4786880000e+00  1.6790300000e+00 -2.1623400000e-01  2.8458260000e+00
+ENERGY -1.526543434339e+02
+FORCES  2.8981000000e-03 -3.9344000000e-03 -3.2580000000e-04 -3.7485000000e-03  8.4500000000e-04 -1.7592000000e-03  9.4440000000e-04  3.0611000000e-03  1.8984000000e-03  2.4512000000e-03 -1.6794000000e-03  3.9349000000e-03 -3.4110000000e-04  3.7444000000e-03 -1.1588000000e-03 -2.2040000000e-03 -2.0368000000e-03 -2.5894000000e-03
+
+JOB 73
+COORDS  1.9872140000e+00  1.4106580000e+00 -1.3737900000e+00  1.6583600000e+00  2.3091940000e+00 -1.3469630000e+00  2.4128080000e+00  1.2854420000e+00 -5.2560200000e-01 -1.9594190000e+00 -1.4538560000e+00  1.3768090000e+00 -2.6415210000e+00 -2.0765970000e+00  1.1254860000e+00 -1.9705780000e+00 -7.9323900000e-01  6.8421200000e-01
+ENERGY -1.526545084309e+02
+FORCES  8.4910000000e-04  3.0891000000e-03  3.7020000000e-03  1.1142000000e-03 -3.7440000000e-03 -1.4260000000e-04 -1.7903000000e-03  6.7370000000e-04 -3.6108000000e-03 -2.6212000000e-03  4.0000000000e-05 -4.1990000000e-03  2.6839000000e-03  2.5321000000e-03  1.0962000000e-03 -2.3570000000e-04 -2.5909000000e-03  3.1542000000e-03
+
+JOB 74
+COORDS  4.4038400000e-01 -2.7045750000e+00  5.8679000000e-01  7.5641300000e-01 -3.2583340000e+00 -1.2715000000e-01  1.1396370000e+00 -2.0650550000e+00  7.2203900000e-01 -5.5140500000e-01  2.6897610000e+00 -6.0544300000e-01  3.1057900000e-01  2.2736600000e+00 -5.9686500000e-01 -5.4551400000e-01  3.2697310000e+00  1.5602500000e-01
+ENERGY -1.526535728317e+02
+FORCES  3.9041000000e-03  2.0670000000e-04 -2.4909000000e-03 -1.2069000000e-03  2.3075000000e-03  2.9923000000e-03 -2.7545000000e-03 -2.3684000000e-03 -5.4990000000e-04  3.2486000000e-03  5.4840000000e-04  3.2607000000e-03 -3.2733000000e-03  1.6495000000e-03 -4.5500000000e-05  8.2100000000e-05 -2.3437000000e-03 -3.1667000000e-03
+
+JOB 75
+COORDS  8.4446500000e-01  1.3538800000e-01 -2.8320650000e+00  4.0802000000e-02  3.4886700000e-01 -3.3061780000e+00  7.1453900000e-01  5.0748000000e-01 -1.9597700000e+00 -7.3237900000e-01 -1.7851100000e-01  2.7832160000e+00 -1.3800430000e+00  4.7572500000e-01  2.5210350000e+00 -1.1343280000e+00 -6.3015900000e-01  3.5252960000e+00
+ENERGY -1.526541657013e+02
+FORCES -3.6687000000e-03  2.1415000000e-03  2.0200000000e-03  3.2025000000e-03 -8.0330000000e-04  1.8732000000e-03  3.9430000000e-04 -1.2147000000e-03 -3.9513000000e-03 -4.2876000000e-03  5.2960000000e-04  2.4038000000e-03  2.7681000000e-03 -2.6016000000e-03  7.1010000000e-04  1.5915000000e-03  1.9486000000e-03 -3.0557000000e-03
+
+JOB 76
+COORDS  2.2141980000e+00  1.7066870000e+00 -1.0934990000e+00  2.0549600000e+00  2.6477280000e+00 -1.0205930000e+00  2.5046140000e+00  1.4440520000e+00 -2.2005000000e-01 -2.2678130000e+00 -1.7645030000e+00  1.0029610000e+00 -1.6670200000e+00 -1.0371020000e+00  8.4119700000e-01 -2.0174240000e+00 -2.0952770000e+00  1.8655890000e+00
+ENERGY -1.526540608351e+02
+FORCES  9.7990000000e-04  3.0487000000e-03  3.5196000000e-03  5.7140000000e-04 -3.9809000000e-03 -1.8340000000e-04 -1.5531000000e-03  9.2190000000e-04 -3.4598000000e-03  3.5539000000e-03  1.6134000000e-03  2.5014000000e-03 -2.5629000000e-03 -2.9993000000e-03  1.0705000000e-03 -9.8920000000e-04  1.3964000000e-03 -3.4483000000e-03
+
+JOB 77
+COORDS -1.2547470000e+00  7.3036600000e-01  2.8388880000e+00 -1.9355420000e+00  9.8748900000e-01  3.4606910000e+00 -4.7154900000e-01  6.1135700000e-01  3.3761680000e+00  1.2834220000e+00 -7.2411000000e-01 -2.9548670000e+00  1.5195850000e+00 -6.6148600000e-01 -2.0293750000e+00  3.8365900000e-01 -1.0506780000e+00 -2.9513820000e+00
+ENERGY -1.526544965550e+02
+FORCES  2.4460000000e-04  7.6370000000e-04  4.9225000000e-03  2.8165000000e-03 -1.0916000000e-03 -2.5245000000e-03 -3.1363000000e-03  3.9060000000e-04 -2.3354000000e-03 -2.9732000000e-03 -8.7750000000e-04  4.0272000000e-03 -6.6800000000e-04 -3.7350000000e-04 -3.8608000000e-03  3.7165000000e-03  1.1883000000e-03 -2.2910000000e-04
+
+JOB 78
+COORDS  2.9369850000e+00  1.7364640000e+00  1.2731060000e+00  3.5375340000e+00  2.4504350000e+00  1.0590530000e+00  2.1619990000e+00  2.1727210000e+00  1.6270970000e+00 -2.9171620000e+00 -1.7574700000e+00 -1.3314000000e+00 -2.7950060000e+00 -1.6698870000e+00 -3.8607500000e-01 -3.2223360000e+00 -2.6567130000e+00 -1.4516540000e+00
+ENERGY -1.526540443950e+02
+FORCES -7.3420000000e-04  4.7377000000e-03  3.7140000000e-04 -2.4217000000e-03 -2.9090000000e-03  9.3510000000e-04  3.1495000000e-03 -1.8292000000e-03 -1.3256000000e-03 -5.1850000000e-04 -3.3805000000e-03  3.3661000000e-03 -6.4750000000e-04 -2.9220000000e-04 -3.8269000000e-03  1.1724000000e-03  3.6731000000e-03  4.7990000000e-04
+
+JOB 79
+COORDS  3.5337110000e+00 -1.9813490000e+00 -6.1658200000e-01  3.8797330000e+00 -1.2181230000e+00 -1.0791690000e+00  3.0216510000e+00 -1.6136200000e+00  1.0369800000e-01 -3.4780990000e+00  1.9720180000e+00  5.7417600000e-01 -3.3109520000e+00  1.0576620000e+00  8.0275000000e-01 -4.3940040000e+00  2.1153950000e+00  8.1249000000e-01
+ENERGY -1.526541872946e+02
+FORCES -6.5460000000e-04  4.7185000000e-03  9.9890000000e-04 -1.3785000000e-03 -3.1577000000e-03  1.8956000000e-03  2.0424000000e-03 -1.5850000000e-03 -2.8941000000e-03 -3.2085000000e-03 -3.1397000000e-03  1.8537000000e-03 -5.6060000000e-04  3.7512000000e-03 -8.9810000000e-04  3.7598000000e-03 -5.8730000000e-04 -9.5590000000e-04
+
+JOB 80
+COORDS -1.5111820000e+00 -3.6517200000e+00 -1.6525880000e+00 -2.3081920000e+00 -3.1917460000e+00 -1.3890900000e+00 -1.7007180000e+00 -3.9749720000e+00 -2.5333930000e+00  1.5026600000e+00  3.6367170000e+00  1.6847040000e+00  2.0771200000e+00  3.9406840000e+00  2.3874340000e+00  2.0921790000e+00  3.4639010000e+00  9.5065100000e-01
+ENERGY -1.526541139072e+02
+FORCES -4.0605000000e-03  6.5020000000e-04 -2.4373000000e-03  3.2376000000e-03 -1.9507000000e-03 -1.1288000000e-03  8.0020000000e-04  1.2992000000e-03  3.5691000000e-03  4.7799000000e-03  3.9600000000e-04 -1.3920000000e-04 -2.3516000000e-03 -1.1939000000e-03 -2.8556000000e-03 -2.4055000000e-03  7.9920000000e-04  2.9918000000e-03
+
+JOB 81
+COORDS  1.4681900000e-01  2.5426580000e+00  3.6514930000e+00 -4.6378500000e-01  2.7246770000e+00  2.9371650000e+00  8.5034900000e-01  3.1810630000e+00  3.5343760000e+00 -1.2118500000e-01 -2.5868480000e+00 -3.5352020000e+00 -9.0483300000e-01 -2.1410050000e+00 -3.8566860000e+00  1.9562900000e-01 -3.0873870000e+00 -4.2870810000e+00
+ENERGY -1.526540139018e+02
+FORCES  4.3680000000e-04  3.2130000000e-03 -3.5003000000e-03  2.4407000000e-03 -6.5740000000e-04  2.9602000000e-03 -2.8841000000e-03 -2.5493000000e-03  5.1990000000e-04 -1.9034000000e-03 -3.1480000000e-04 -4.3552000000e-03  3.2049000000e-03 -1.7617000000e-03  1.3168000000e-03 -1.2949000000e-03  2.0702000000e-03  3.0586000000e-03
+
+JOB 82
+COORDS  1.4304980000e+00 -3.3442110000e+00  2.9329800000e+00  1.2650240000e+00 -3.6592970000e+00  2.0444010000e+00  7.5783200000e-01 -2.6795150000e+00  3.0810680000e+00 -1.3865140000e+00  3.2667500000e+00 -2.8683940000e+00 -2.1064910000e+00  3.7447040000e+00 -3.2800070000e+00 -6.3588200000e-01  3.8565650000e+00 -2.9384060000e+00
+ENERGY -1.526542574177e+02
+FORCES -3.4566000000e-03  1.5116000000e-03 -3.1068000000e-03  7.0590000000e-04  1.2114000000e-03  3.6510000000e-03  2.7547000000e-03 -2.7475000000e-03 -5.2410000000e-04  1.3420000000e-04  4.4157000000e-03 -2.0119000000e-03  2.9322000000e-03 -1.9653000000e-03  1.6920000000e-03 -3.0703000000e-03 -2.4260000000e-03  2.9980000000e-04
+
+JOB 83
+COORDS -7.3425100000e-01 -4.4771840000e+00 -7.6588800000e-01 -1.0281490000e+00 -5.3078600000e+00 -3.9194500000e-01  1.2361900000e-01 -4.6736220000e+00 -1.1423230000e+00  7.2706500000e-01  4.5598540000e+00  7.0847200000e-01  7.6575700000e-01  4.9376340000e+00  1.5871170000e+00  2.2563600000e-01  3.7517000000e+00  8.1658100000e-01
+ENERGY -1.526541878128e+02
+FORCES  2.3118000000e-03 -4.2304000000e-03 -8.7900000000e-05  1.1959000000e-03  3.4045000000e-03 -1.4980000000e-03 -3.5078000000e-03  8.0490000000e-04  1.5715000000e-03 -1.9418000000e-03 -1.8530000000e-03  3.9859000000e-03 -1.3410000000e-04 -1.5031000000e-03 -3.5662000000e-03  2.0762000000e-03  3.3771000000e-03 -4.0530000000e-04
+
+JOB 84
+COORDS -3.9183210000e+00 -3.1485280000e+00 -1.3324550000e+00 -3.9443060000e+00 -2.2459730000e+00 -1.6501820000e+00 -3.3023230000e+00 -3.5909050000e+00 -1.9164760000e+00  3.9094540000e+00  3.1741500000e+00  1.3634320000e+00  3.5565600000e+00  2.4608780000e+00  8.3151100000e-01  3.8285390000e+00  2.8637010000e+00  2.2652670000e+00
+ENERGY -1.526540779445e+02
+FORCES  2.3083000000e-03  1.8484000000e-03 -3.7396000000e-03  1.6150000000e-04 -3.6806000000e-03  1.3302000000e-03 -2.4709000000e-03  1.8275000000e-03  2.4182000000e-03 -1.7538000000e-03 -4.1764000000e-03  1.5698000000e-03  1.4233000000e-03  2.9121000000e-03  2.1232000000e-03  3.3160000000e-04  1.2690000000e-03 -3.7018000000e-03
+
+JOB 85
+COORDS  2.2431060000e+00 -3.5262160000e+00 -3.0757140000e+00  2.2735380000e+00 -3.1173460000e+00 -3.9406600000e+00  3.0653590000e+00 -3.2680860000e+00 -2.6591790000e+00 -2.2455760000e+00  3.5353610000e+00  3.1070220000e+00 -3.0772590000e+00  3.6220700000e+00  2.6411710000e+00 -2.2348500000e+00  2.6281520000e+00  3.4121250000e+00
+ENERGY -1.526541529626e+02
+FORCES  3.5110000000e-03  2.7414000000e-03 -1.8372000000e-03 -1.3980000000e-04 -1.6780000000e-03  3.5243000000e-03 -3.3637000000e-03 -1.0694000000e-03 -1.6948000000e-03 -3.3551000000e-03 -3.3964000000e-03 -6.7320000000e-04  3.3877000000e-03 -3.2430000000e-04  1.9028000000e-03 -4.0100000000e-05  3.7268000000e-03 -1.2220000000e-03
+
+JOB 86
+COORDS  3.6008210000e+00  4.0288320000e+00  2.7202800000e-01  4.1689110000e+00  4.6993340000e+00 -1.0735800000e-01  4.0401280000e+00  3.2018330000e+00  7.3752000000e-02 -3.7019220000e+00 -3.9772480000e+00 -2.4905000000e-01 -3.7573850000e+00 -4.5970040000e+00  4.7831300000e-01 -2.8864390000e+00 -4.2041100000e+00 -6.9598800000e-01
+ENERGY -1.526540087534e+02
+FORCES  4.0764000000e-03 -6.2050000000e-04 -2.3691000000e-03 -2.3071000000e-03 -2.7441000000e-03  1.5530000000e-03 -1.7782000000e-03  3.3585000000e-03  8.1500000000e-04  3.1065000000e-03 -3.4023000000e-03  1.1719000000e-03  2.2550000000e-04  2.5086000000e-03 -2.9800000000e-03 -3.3232000000e-03  8.9970000000e-04  1.8092000000e-03
+
+JOB 87
+COORDS -3.3206860000e+00  4.0687080000e+00 -3.9478120000e+00 -2.7038980000e+00  4.7644920000e+00 -4.1751640000e+00 -3.2912560000e+00  3.4689060000e+00 -4.6932000000e+00  3.2781760000e+00 -4.0925900000e+00  3.9418760000e+00  3.6784790000e+00 -3.2970220000e+00  4.2926780000e+00  2.9505050000e+00 -4.5562660000e+00  4.7125040000e+00
+ENERGY -1.526540777100e+02
+FORCES  2.6538000000e-03  3.5440000000e-04 -3.9637000000e-03 -2.5219000000e-03 -2.8216000000e-03  9.2920000000e-04 -1.3070000000e-04  2.4656000000e-03  3.0319000000e-03  2.6120000000e-04  1.3739000000e-03  4.5751000000e-03 -1.6129000000e-03 -3.2535000000e-03 -1.4309000000e-03  1.3505000000e-03  1.8812000000e-03 -3.1416000000e-03
+
+JOB 88
+COORDS -1.0266120000e+00 -1.6891580000e+00 -7.7645660000e+00 -1.6560400000e+00 -2.3907940000e+00 -7.9311800000e+00 -8.4497100000e-01 -1.7474480000e+00 -6.8265670000e+00  1.0079630000e+00  1.7822480000e+00  7.6826100000e+00  1.0309340000e+00  8.3589900000e-01  7.5407420000e+00  1.6679020000e+00  1.9397860000e+00  8.3578100000e+00
+ENERGY -1.526540717910e+02
+FORCES -1.8348000000e-03 -3.0819000000e-03  3.1554000000e-03  2.5713000000e-03  2.8552000000e-03  6.7640000000e-04 -7.3610000000e-04  2.2510000000e-04 -3.8312000000e-03  2.7934000000e-03 -3.2034000000e-03  2.1891000000e-03 -9.9200000000e-05  3.8545000000e-03  5.6790000000e-04 -2.6945000000e-03 -6.4950000000e-04 -2.7577000000e-03
+
+JOB 89
+COORDS  9.1992940000e+00  1.1484700000e-01  5.0740320000e+00  9.7030850000e+00 -3.9801600000e-01  4.4420530000e+00  8.3299120000e+00 -2.8563500000e-01  5.0694770000e+00 -9.2074230000e+00 -1.5188000000e-02 -5.0081340000e+00 -8.6973680000e+00 -7.4556800000e-01 -4.6579620000e+00 -9.2300850000e+00 -1.6929800000e-01 -5.9525740000e+00
+ENERGY -1.526540655612e+02
+FORCES -1.4922000000e-03 -3.7211000000e-03 -2.5933000000e-03 -2.0559000000e-03  2.0903000000e-03  2.5767000000e-03  3.5476000000e-03  1.6306000000e-03  1.6100000000e-05  1.9810000000e-03 -3.6044000000e-03 -2.4271000000e-03 -2.0765000000e-03  2.9783000000e-03 -1.4269000000e-03  9.6000000000e-05  6.2640000000e-04  3.8545000000e-03
+
+JOB 0
+COORDS -3.9983800000e-01  1.2039260000e+00 -1.6005300000e-01 -2.0214500000e-01  2.8712600000e-01  3.1330000000e-02 -6.7229000000e-02  1.6844610000e+00  5.9803000000e-01  4.2252200000e-01 -1.1223420000e+00  1.2652100000e-01 -5.0045000000e-02 -1.6997660000e+00  7.2609900000e-01  1.4974600000e-01 -1.4069790000e+00 -7.4572100000e-01
+ENERGY -1.526531255853e+02
+FORCES  1.1907700000e-02 -2.7281000000e-02  6.1902000000e-03 -5.2096000000e-03  4.0529000000e-03 -4.9866000000e-03 -6.4910000000e-04 -2.8750000000e-03 -7.8860000000e-04 -7.0692000000e-03  1.6781100000e-02 -3.4144000000e-03  1.7010000000e-03  5.1174000000e-03 -4.0043000000e-03 -6.8080000000e-04  4.2048000000e-03  7.0038000000e-03
+
+JOB 1
+COORDS  4.2056000000e-02  1.1983630000e+00 -3.0109200000e-01  4.0866700000e-01  1.0764060000e+00  5.7466800000e-01 -8.2764000000e-02  2.1441510000e+00 -3.7943600000e-01 -1.5100000000e-02 -1.2822370000e+00  2.4372800000e-01 -7.8323900000e-01 -1.4060250000e+00  8.0128600000e-01 -4.0571000000e-02 -3.5636200000e-01  2.1940000000e-03
+ENERGY -1.526495783044e+02
+FORCES -1.6449000000e-03 -1.3222500000e-02  1.8538000000e-03 -6.5035000000e-03 -7.3273000000e-03 -7.8897000000e-03  1.9848000000e-03 -4.6743000000e-03  2.9274000000e-03 -4.6853000000e-03  1.4877100000e-02 -7.5184000000e-03  2.7331000000e-03  2.2021000000e-03 -1.0437000000e-03  8.1158000000e-03  8.1449000000e-03  1.1670600000e-02
+
+JOB 2
+COORDS  1.0853050000e+00  6.9782600000e-01 -3.2808300000e-01  2.9883700000e-01  1.0022000000e+00  1.2474900000e-01  9.3341900000e-01 -2.3633900000e-01 -4.7125600000e-01 -1.0430440000e+00 -6.2005800000e-01  3.7247400000e-01 -1.1329570000e+00 -3.8477300000e-01 -5.5099200000e-01 -7.8630600000e-01 -1.5421170000e+00  3.6130400000e-01
+ENERGY -1.526488070417e+02
+FORCES -1.5214900000e-02 -1.0744400000e-02  1.0518100000e-02 -3.7380000000e-04  3.6300000000e-03 -4.3884000000e-03 -5.8730000000e-04 -2.2837000000e-03 -4.3908000000e-03  9.9948000000e-03  3.2481000000e-03 -5.0936000000e-03  4.7121000000e-03  5.6830000000e-04  5.1881000000e-03  1.4691000000e-03  5.5818000000e-03 -1.8335000000e-03
+
+JOB 3
+COORDS  2.6660500000e-01 -2.3224100000e-01  1.2984340000e+00  8.3616300000e-01 -9.0352700000e-01  9.2265500000e-01 -1.6730700000e-01  1.6460900000e-01  5.4314500000e-01 -2.9349000000e-01  2.6547100000e-01 -1.1785420000e+00 -6.5615100000e-01  5.2265100000e-01 -2.0262260000e+00  4.2938500000e-01 -3.2329000000e-01 -1.3954390000e+00
+ENERGY -1.526542126152e+02
+FORCES -4.6101000000e-03  2.7861000000e-03 -1.6810000000e-02 -8.7320000000e-04  1.9427000000e-03 -1.1305000000e-03  3.2912000000e-03 -2.2973000000e-03  3.4521000000e-03  2.4899000000e-03 -2.1107000000e-03  8.4087000000e-03  3.4104000000e-03 -2.5896000000e-03  3.5122000000e-03 -3.7082000000e-03  2.2688000000e-03  2.5676000000e-03
+
+JOB 4
+COORDS -5.3900000000e-04 -1.1716290000e+00 -4.5290800000e-01 -7.7267000000e-02 -1.0488440000e+00 -1.3990950000e+00 -7.9283000000e-01 -1.6496260000e+00 -2.0790800000e-01  8.7382000000e-02  1.1980280000e+00  5.6066400000e-01 -3.3087600000e-01  1.9005270000e+00  6.2882000000e-02 -9.3108000000e-02  4.0543400000e-01  5.5244000000e-02
+ENERGY -1.526558254089e+02
+FORCES -1.0934000000e-03  6.4970000000e-03  3.4199000000e-03 -1.1223000000e-03  2.7807000000e-03  7.0307000000e-03  4.1961000000e-03  4.2090000000e-03 -2.2193000000e-03 -5.1370000000e-04 -1.8984500000e-02 -7.4003000000e-03  7.7440000000e-04 -5.0815000000e-03 -7.7700000000e-04 -2.2411000000e-03  1.0579400000e-02 -5.4100000000e-05
+
+JOB 5
+COORDS  4.2093000000e-02 -8.2729300000e-01 -1.0321550000e+00 -2.6353900000e-01 -1.6879200000e-01 -4.0829800000e-01 -3.4787600000e-01 -5.6664000000e-01 -1.8665510000e+00 -2.8423000000e-02  8.1372900000e-01  9.8919000000e-01  8.6538000000e-01  4.9006000000e-01  1.1013810000e+00 -5.0262700000e-01  4.7755500000e-01  1.7496830000e+00
+ENERGY -1.526595701467e+02
+FORCES -2.8496000000e-03  1.2220300000e-02  1.2238500000e-02  2.5066000000e-03 -7.5925000000e-03 -7.0181000000e-03  2.6950000000e-04  1.1937000000e-03  4.0197000000e-03  3.7764000000e-03 -7.6249000000e-03 -3.7095000000e-03 -6.4582000000e-03  1.1673000000e-03 -7.2530000000e-04  2.7554000000e-03  6.3610000000e-04 -4.8052000000e-03
+
+JOB 6
+COORDS  7.6049200000e-01  3.3697300000e-01 -9.9242600000e-01  7.2959900000e-01 -3.7165600000e-01 -1.6351720000e+00  1.5087300000e+00  1.2302300000e-01 -4.3511300000e-01 -8.1950100000e-01 -2.4580700000e-01  1.0524330000e+00 -4.3824500000e-01 -1.0193000000e-02  2.0664200000e-01 -9.0565900000e-01 -1.1985630000e+00  1.0197830000e+00
+ENERGY -1.526578117317e+02
+FORCES -5.2600000000e-05 -4.0207000000e-03  6.3986000000e-03 -1.0019000000e-03  2.6097000000e-03  5.6559000000e-03 -5.5531000000e-03 -1.5620000000e-04 -3.3380000000e-03  8.9244000000e-03  3.1708000000e-03 -1.5848200000e-02 -4.0955000000e-03 -4.4408000000e-03  8.5093000000e-03  1.7786000000e-03  2.8372000000e-03 -1.3776000000e-03
+
+JOB 7
+COORDS  2.6496000000e-01  1.0815860000e+00  7.8097100000e-01  1.1653880000e+00  1.0969140000e+00  1.1053570000e+00  2.6692600000e-01  4.0981000000e-01  9.9102000000e-02 -3.3120200000e-01 -1.0265910000e+00 -7.0785400000e-01  3.3625800000e-01 -1.6970020000e+00 -8.5372300000e-01 -6.2486400000e-01 -7.8517100000e-01 -1.5863250000e+00
+ENERGY -1.526577267337e+02
+FORCES -2.6478000000e-03 -1.3867500000e-02 -8.5648000000e-03 -2.5621000000e-03 -2.1291000000e-03 -2.1140000000e-03  4.0681000000e-03  9.1224000000e-03  2.9900000000e-03  9.2300000000e-04  2.3898000000e-03  1.5121000000e-03 -2.8860000000e-03  5.0154000000e-03  7.1190000000e-04  3.1048000000e-03 -5.3100000000e-04  5.4648000000e-03
+
+JOB 8
+COORDS -8.8915400000e-01 -9.4432300000e-01 -4.6013100000e-01 -4.2043500000e-01 -2.3153400000e-01 -2.6002000000e-02 -1.4314190000e+00 -5.0927800000e-01 -1.1180940000e+00  8.2467800000e-01  8.8902800000e-01  4.8081900000e-01  1.2008200000e+00  4.1396300000e-01 -2.6016800000e-01  1.5804870000e+00  1.1511870000e+00  1.0064210000e+00
+ENERGY -1.526570027287e+02
+FORCES  2.5100000000e-03  9.3359000000e-03  6.4914000000e-03  4.2995000000e-03 -3.6234000000e-03 -9.6083000000e-03  3.1347000000e-03 -5.1480000000e-04  2.0737000000e-03 -4.6630000000e-04 -5.1397000000e-03  1.3650000000e-04 -7.3738000000e-03  1.2634000000e-03  5.3723000000e-03 -2.1040000000e-03 -1.3214000000e-03 -4.4657000000e-03
+
+JOB 9
+COORDS -1.3638100000e-01  6.0724300000e-01 -1.1473110000e+00  1.7523000000e-02  1.4586140000e+00 -7.3778400000e-01  4.6451000000e-01  5.8707400000e-01 -1.8921300000e+00  1.3100900000e-01 -6.3830800000e-01  1.2272290000e+00 -3.5967000000e-01 -1.4423760000e+00  1.0571090000e+00  9.9500000000e-03 -1.1159100000e-01  4.3720000000e-01
+ENERGY -1.526579517809e+02
+FORCES  4.8596000000e-03 -2.4231000000e-03  2.7277000000e-03  1.0850000000e-04 -8.1487000000e-03  7.2150000000e-04 -3.5791000000e-03  1.6132000000e-03  3.2908000000e-03 -3.1983000000e-03  3.1807000000e-03 -1.6219300000e-02  1.5584000000e-03  1.7233000000e-03  5.2310000000e-04  2.5080000000e-04  4.0546000000e-03  8.9561000000e-03
+
+JOB 10
+COORDS -3.9027700000e-01 -1.3021020000e+00  2.2796900000e-01  3.9463100000e-01 -1.8461930000e+00  1.6382300000e-01 -7.9029000000e-02 -4.1169200000e-01  6.5099000000e-02  3.8483700000e-01  1.2361020000e+00 -2.0913200000e-01 -9.3380000000e-03  1.7792190000e+00  4.7342300000e-01 -1.7904200000e-01  1.3628280000e+00 -9.7216100000e-01
+ENERGY -1.526602327743e+02
+FORCES  8.1846000000e-03  1.5031800000e-02 -1.9224000000e-03 -1.7099000000e-03  2.4209000000e-03 -1.3800000000e-04 -6.1117000000e-03 -9.0522000000e-03 -7.4880000000e-04 -4.3300000000e-03 -1.8451000000e-03  1.4334000000e-03  1.4404000000e-03 -3.5275000000e-03 -4.3719000000e-03  2.5267000000e-03 -3.0279000000e-03  5.7477000000e-03
+
+JOB 11
+COORDS  3.4969300000e-01  1.1910460000e+00 -5.2901100000e-01 -8.2587000000e-02  9.3370800000e-01 -1.3433470000e+00  1.2438990000e+00  8.6116200000e-01 -6.1735300000e-01 -4.4406100000e-01 -1.1848890000e+00  5.6392600000e-01 -6.8078000000e-02 -3.5070800000e-01  2.8283700000e-01  2.0759300000e-01 -1.5528850000e+00  1.1607160000e+00
+ENERGY -1.526578942138e+02
+FORCES -3.3090000000e-04 -3.2506000000e-03 -4.4192000000e-03  2.7732000000e-03 -8.0400000000e-05  6.2474000000e-03 -6.9826000000e-03 -1.8494000000e-03  3.4614000000e-03  4.1371000000e-03  1.3715200000e-02 -2.3283000000e-03  1.0097000000e-03 -1.1462400000e-02 -3.9900000000e-05 -6.0650000000e-04  2.9276000000e-03 -2.9215000000e-03
+
+JOB 12
+COORDS -1.0890470000e+00  8.3374300000e-01  1.7545100000e-01 -2.1697000000e-01  4.5746500000e-01  2.9432000000e-01 -9.3977000000e-01  1.6283240000e+00 -3.3698300000e-01  9.8508100000e-01 -8.4165700000e-01 -1.1833500000e-01  9.9923000000e-01 -1.0319290000e+00 -1.0563260000e+00  1.8845660000e+00 -9.9450300000e-01  1.7114000000e-01
+ENERGY -1.526592588360e+02
+FORCES  1.1844600000e-02 -6.5753000000e-03 -9.7390000000e-04 -6.4409000000e-03  6.3904000000e-03  8.0800000000e-04  5.9920000000e-04 -3.2810000000e-03  7.8310000000e-04 -3.4056000000e-03  1.3389000000e-03 -3.1389000000e-03  1.9817000000e-03  1.0208000000e-03  4.8585000000e-03 -4.5790000000e-03  1.1063000000e-03 -2.3368000000e-03
+
+JOB 13
+COORDS -4.2791200000e-01 -1.2396980000e+00 -3.1363600000e-01  1.3222300000e-01 -1.8399050000e+00 -8.0580600000e-01 -5.6327200000e-01 -1.6739260000e+00  5.2859700000e-01  4.2252400000e-01  1.3449750000e+00  2.5637900000e-01  1.1205700000e-01  4.7753300000e-01 -3.2110000000e-03  3.5350800000e-01  1.3487930000e+00  1.2110800000e+00
+ENERGY -1.526601942413e+02
+FORCES  3.2134000000e-03 -8.6570000000e-04  1.3790000000e-03 -3.1762000000e-03  2.3742000000e-03  3.3528000000e-03  1.5910000000e-03  2.9527000000e-03 -4.0651000000e-03 -4.6499000000e-03 -1.2778400000e-02 -1.2665000000e-03  3.1312000000e-03  9.4159000000e-03  3.1555000000e-03 -1.0960000000e-04 -1.0986000000e-03 -2.5558000000e-03
+
+JOB 14
+COORDS  6.0859500000e-01 -6.9900000000e-02  1.1798380000e+00  1.5657820000e+00 -7.3866000000e-02  1.1769750000e+00  3.7225900000e-01  1.6438100000e-01  2.0773290000e+00 -7.0999500000e-01  2.5740000000e-02 -1.2462340000e+00 -2.1505000000e-01  6.7293600000e-01 -1.7486270000e+00 -1.7423900000e-01 -1.3613300000e-01 -4.6970700000e-01
+ENERGY -1.526597659046e+02
+FORCES -2.6654000000e-03  1.5999000000e-03  3.7200000000e-05 -5.0309000000e-03  7.3380000000e-04 -2.8080000000e-04  3.4700000000e-03 -1.1572000000e-03 -3.3649000000e-03  6.5207000000e-03  1.6913000000e-03  1.0625300000e-02 -6.5990000000e-04 -2.0107000000e-03  1.8108000000e-03 -1.6346000000e-03 -8.5720000000e-04 -8.8277000000e-03
+
+JOB 15
+COORDS  1.2053410000e+00 -7.6395800000e-01 -2.2400000000e-01  5.2626700000e-01 -1.3735900000e-01  2.5929000000e-02  9.5087900000e-01 -1.0573840000e+00 -1.0988620000e+00 -1.1022610000e+00  7.0900500000e-01  2.2529100000e-01 -2.0340980000e+00  4.9108000000e-01  2.0481800000e-01 -1.0540030000e+00  1.5073540000e+00  7.5116500000e-01
+ENERGY -1.526598940815e+02
+FORCES -1.2324500000e-02  5.8093000000e-03 -9.1440000000e-04  8.2788000000e-03 -1.1969000000e-03  3.4150000000e-04  9.3140000000e-04  3.3000000000e-06  2.1777000000e-03 -4.0420000000e-04 -2.9123000000e-03  5.5060000000e-04  3.7246000000e-03  2.9155000000e-03  3.5040000000e-04 -2.0600000000e-04 -4.6189000000e-03 -2.5059000000e-03
+
+JOB 16
+COORDS -6.7968600000e-01  1.1073400000e-01  1.2451700000e+00 -5.8756400000e-01  5.3848000000e-02  2.9411300000e-01 -1.5284080000e+00  5.3254100000e-01  1.3792680000e+00  7.2180900000e-01 -1.0877800000e-01 -1.1323890000e+00  1.2414840000e+00  2.8988300000e-01 -1.8304140000e+00  2.5216900000e-01 -8.2403000000e-01 -1.5614380000e+00
+ENERGY -1.526569544461e+02
+FORCES  3.5580000000e-03  1.9679000000e-03 -7.9685000000e-03 -6.8356000000e-03 -3.7022000000e-03  4.8006000000e-03  3.3219000000e-03 -1.3160000000e-03 -1.8975000000e-03  2.1603000000e-03  7.6820000000e-04 -1.5755000000e-03 -2.2222000000e-03 -3.1112000000e-03  2.5885000000e-03  1.7600000000e-05  5.3933000000e-03  4.0523000000e-03
+
+JOB 17
+COORDS  3.3059000000e-01  1.3265340000e+00  2.9202700000e-01  1.3400000000e-04  1.4139650000e+00 -6.0205700000e-01 -3.1211300000e-01  1.7870740000e+00  8.3153500000e-01 -2.4348700000e-01 -1.4105950000e+00 -3.0302500000e-01  1.5638600000e-01 -6.0922800000e-01  3.4828000000e-02 -1.1774030000e+00 -1.3085330000e+00 -1.1968200000e-01
+ENERGY -1.526595053548e+02
+FORCES -4.1632000000e-03  2.3005000000e-03 -1.6094000000e-03  1.0356000000e-03 -2.5592000000e-03  5.9190000000e-03  2.4130000000e-03 -2.6537000000e-03 -3.4697000000e-03  3.9390000000e-04  1.0236100000e-02  5.9618000000e-03 -2.1557000000e-03 -7.4577000000e-03 -5.5715000000e-03  2.4764000000e-03  1.3400000000e-04 -1.2302000000e-03
+
+JOB 18
+COORDS -7.1708400000e-01 -1.2477370000e+00 -3.1344100000e-01 -8.5495000000e-01 -1.3947370000e+00  6.2230300000e-01 -4.3208600000e-01 -3.3593800000e-01 -3.7370300000e-01  6.6463300000e-01  1.1956790000e+00  2.0736000000e-01  5.5700600000e-01  1.5506120000e+00  1.0897830000e+00  1.5707840000e+00  8.8837600000e-01  1.8116100000e-01
+ENERGY -1.526600389540e+02
+FORCES  4.3390000000e-03  1.0772000000e-02  5.0465000000e-03  3.1660000000e-04 -2.2900000000e-04 -2.2858000000e-03 -3.6045000000e-03 -7.8254000000e-03 -3.0032000000e-03  2.8189000000e-03 -1.9601000000e-03  3.3288000000e-03  9.5920000000e-04 -2.5295000000e-03 -3.8884000000e-03 -4.8292000000e-03  1.7720000000e-03  8.0220000000e-04
+
+JOB 19
+COORDS  1.1448930000e+00  6.0984500000e-01 -6.9049700000e-01  1.1173520000e+00 -3.2149500000e-01 -4.7122800000e-01  2.7264400000e-01  8.0113400000e-01 -1.0352040000e+00 -1.1281980000e+00 -6.3591400000e-01  7.0826900000e-01 -1.1811600000e+00 -4.1971000000e-02 -4.0503000000e-02 -5.6055000000e-01 -1.8451600000e-01  1.3329660000e+00
+ENERGY -1.526519410385e+02
+FORCES -5.3632000000e-03 -6.5367000000e-03 -1.2450000000e-04  1.2432000000e-03  5.3034000000e-03 -4.3010000000e-04 -9.5190000000e-04 -1.3466000000e-03  4.4294000000e-03  4.4113000000e-03  7.7609000000e-03  2.9070000000e-04  3.2070000000e-03 -1.4111000000e-03 -1.7904000000e-03 -2.5464000000e-03 -3.7699000000e-03 -2.3751000000e-03
+
+JOB 20
+COORDS -7.2911500000e-01 -5.9329900000e-01  1.1344370000e+00 -3.6443800000e-01 -2.3755700000e-01  3.2407200000e-01 -2.8148100000e-01 -1.4312440000e+00  1.2515020000e+00  6.2142800000e-01  6.0630300000e-01 -1.0620980000e+00  9.0065000000e-01  1.4678030000e+00 -1.3720730000e+00  1.3596140000e+00  2.9597000000e-02 -1.2588830000e+00
+ENERGY -1.526597868437e+02
+FORCES  5.4702000000e-03  3.4891000000e-03 -7.9843000000e-03 -3.2951000000e-03 -6.6517000000e-03  6.3712000000e-03 -4.9680000000e-04  2.8211000000e-03 -1.2641000000e-03  2.0217000000e-03  2.5972000000e-03  9.2430000000e-04  2.9760000000e-04 -4.7031000000e-03  2.0470000000e-04 -3.9975000000e-03  2.4474000000e-03  1.7482000000e-03
+
+JOB 21
+COORDS  1.2224850000e+00  7.3557300000e-01  3.3943000000e-01  1.8722290000e+00  1.6589100000e-01  7.5116800000e-01  4.1078900000e-01  2.2871000000e-01  3.6111600000e-01 -1.1704160000e+00 -6.4868000000e-01 -3.2252500000e-01 -1.6579300000e+00 -1.4679570000e+00 -2.3681500000e-01 -1.4341060000e+00 -3.0048800000e-01 -1.1742650000e+00
+ENERGY -1.526611546006e+02
+FORCES -6.7839000000e-03 -7.3211000000e-03 -3.9180000000e-04 -2.3660000000e-03  1.2384000000e-03 -1.1189000000e-03  7.5589000000e-03  5.5214000000e-03  1.8068000000e-03 -2.7480000000e-04 -3.5250000000e-04 -2.8994000000e-03  1.7539000000e-03  3.6778000000e-03 -1.6175000000e-03  1.1190000000e-04 -2.7639000000e-03  4.2207000000e-03
+
+JOB 22
+COORDS -2.8691600000e-01  1.4374740000e+00 -2.0590500000e-01 -1.5602100000e-01  4.9049500000e-01 -2.5416400000e-01 -3.6990500000e-01  1.6208920000e+00  7.2988400000e-01  2.9084600000e-01 -1.3411970000e+00  1.8807700000e-01 -2.6046100000e-01 -2.1090810000e+00  3.3856500000e-01  7.6463000000e-01 -1.5404510000e+00 -6.1942400000e-01
+ENERGY -1.526604577560e+02
+FORCES  1.4272000000e-03 -1.0814200000e-02  5.9444000000e-03  3.9340000000e-04  7.7777000000e-03 -5.0611000000e-03 -3.0280000000e-04  5.4530000000e-04 -2.6061000000e-03 -9.8390000000e-04 -3.2814000000e-03 -1.1774000000e-03  3.5496000000e-03  3.1886000000e-03 -9.8280000000e-04 -4.0835000000e-03  2.5841000000e-03  3.8830000000e-03
+
+JOB 23
+COORDS  9.0289700000e-01  1.1019090000e+00 -5.0896800000e-01  7.8642400000e-01  3.0844800000e-01  1.3608000000e-02  2.4346000000e-02  1.3117560000e+00 -8.2573900000e-01 -7.9009900000e-01 -1.0308150000e+00  4.5483500000e-01 -1.6962770000e+00 -7.7013100000e-01  6.1950700000e-01 -6.7977500000e-01 -1.8419270000e+00  9.5097700000e-01
+ENERGY -1.526587608423e+02
+FORCES -8.7201000000e-03 -8.2177000000e-03  2.5715000000e-03  5.9579000000e-03  4.2457000000e-03 -1.1819000000e-03  2.1857000000e-03  1.6062000000e-03  2.2610000000e-04 -3.1198000000e-03 -3.9210000000e-04  1.6053000000e-03  4.1275000000e-03 -1.5088000000e-03 -1.1052000000e-03 -4.3120000000e-04  4.2668000000e-03 -2.1158000000e-03
+
+JOB 24
+COORDS  1.3320200000e+00 -8.0117000000e-02 -5.6422100000e-01  1.3065280000e+00 -7.7723900000e-01  9.1219000000e-02  1.1862320000e+00 -5.2848800000e-01 -1.3972520000e+00 -1.3478140000e+00  1.8051400000e-01  6.2512700000e-01 -4.3122000000e-01 -2.3497000000e-02  4.3947600000e-01 -1.8222580000e+00 -1.1958400000e-01 -1.5016300000e-01
+ENERGY -1.526549222390e+02
+FORCES  1.1040000000e-03 -4.1781000000e-03 -2.9762000000e-03 -6.3497000000e-03  6.4397000000e-03 -2.4724000000e-03 -1.3020000000e-04  2.2306000000e-03  4.7339000000e-03  7.4059000000e-03  7.2580000000e-04 -8.1248000000e-03 -3.4097000000e-03 -5.6502000000e-03  6.2115000000e-03  1.3796000000e-03  4.3220000000e-04  2.6280000000e-03
+
+JOB 25
+COORDS  3.5438600000e-01 -7.0341200000e-01 -1.2743330000e+00 -4.8432800000e-01 -1.0188390000e+00 -1.6109300000e+00  1.5717800000e-01 -3.9430400000e-01 -3.9014300000e-01 -3.5629300000e-01  6.8389900000e-01  1.2127810000e+00  6.5638000000e-02  1.5427160000e+00  1.2381040000e+00  2.6195600000e-01  9.9734000000e-02  1.6518150000e+00
+ENERGY -1.526595557635e+02
+FORCES -6.8406000000e-03  4.7208000000e-03  6.7489000000e-03  2.7633000000e-03  7.8490000000e-04  9.4790000000e-04  5.7042000000e-03 -7.0539000000e-03 -4.2065000000e-03  3.3857000000e-03  4.4094000000e-03  2.5294000000e-03 -1.9265000000e-03 -4.6929000000e-03  6.6640000000e-04 -3.0861000000e-03  1.8317000000e-03 -6.6861000000e-03
+
+JOB 26
+COORDS  1.0958360000e+00 -3.9824300000e-01 -9.5520900000e-01  3.2038300000e-01 -6.7622000000e-02 -5.0178400000e-01  1.0800830000e+00 -1.3426670000e+00 -8.0013300000e-01 -9.9628900000e-01  4.1849200000e-01  8.7614200000e-01 -1.2326010000e+00 -2.0887000000e-02  1.6930480000e+00 -1.6520920000e+00  1.1085680000e+00  7.7639400000e-01
+ENERGY -1.526607403930e+02
+FORCES -7.7565000000e-03  9.4500000000e-05  6.9754000000e-03  5.9120000000e-03 -1.7230000000e-03 -6.8997000000e-03  3.1410000000e-04  2.5409000000e-03 -2.1430000000e-04 -1.2174000000e-03  5.5800000000e-05  2.5920000000e-03 -1.1730000000e-04  2.6160000000e-03 -3.6256000000e-03  2.8651000000e-03 -3.5842000000e-03  1.1723000000e-03
+
+JOB 27
+COORDS -1.2262020000e+00 -5.1922900000e-01 -6.9217100000e-01 -4.3621500000e-01 -1.1146900000e-01 -3.3737100000e-01 -1.6649690000e+00  1.8401100000e-01 -1.1708870000e+00  1.2184680000e+00  4.7016100000e-01  6.3521100000e-01  6.4919700000e-01  9.2763200000e-01  1.2539860000e+00  1.5064910000e+00 -3.1143000000e-01  1.1067930000e+00
+ENERGY -1.526606776363e+02
+FORCES  7.8946000000e-03  4.9417000000e-03  6.9380000000e-04 -1.0697000000e-02 -2.4653000000e-03 -1.3790000000e-03  1.9026000000e-03 -1.6522000000e-03  2.4048000000e-03  2.0155000000e-03 -1.7618000000e-03  6.1772000000e-03  1.0027000000e-03 -3.4403000000e-03 -5.5208000000e-03 -2.1183000000e-03  4.3777000000e-03 -2.3760000000e-03
+
+JOB 28
+COORDS  1.0500120000e+00  5.5007300000e-01  8.2675200000e-01  1.4884760000e+00  9.0053400000e-01  5.1408000000e-02  7.1923600000e-01  1.3225400000e+00  1.2851320000e+00 -1.0671150000e+00 -6.6951000000e-01 -8.5561700000e-01 -3.4200100000e-01 -5.3975800000e-01 -2.4438400000e-01 -1.6397980000e+00  8.3907000000e-02 -7.1199300000e-01
+ENERGY -1.526600652780e+02
+FORCES  1.1292000000e-03  5.6900000000e-03 -6.3090000000e-04 -3.5713000000e-03 -2.2007000000e-03  3.8710000000e-03  1.2962000000e-03 -3.4798000000e-03 -2.9812000000e-03  4.7394000000e-03  5.3950000000e-03  7.8726000000e-03 -5.0351000000e-03 -3.4793000000e-03 -7.1840000000e-03  1.4416000000e-03 -1.9251000000e-03 -9.4760000000e-04
+
+JOB 29
+COORDS  9.6705700000e-01  5.1534100000e-01  8.7932800000e-01  1.6120950000e+00 -1.0102300000e-01  1.2261050000e+00  1.0765480000e+00  1.3026520000e+00  1.4126050000e+00 -1.0631060000e+00 -5.5961600000e-01 -9.1434900000e-01 -9.3414200000e-01 -5.7717000000e-02 -1.7191460000e+00 -2.6782000000e-01 -4.0450900000e-01 -4.0474600000e-01
+ENERGY -1.526600478251e+02
+FORCES -7.3500000000e-05  2.7930000000e-03  3.4170000000e-03 -3.6352000000e-03  2.8105000000e-03 -2.1542000000e-03  1.3125000000e-03 -3.9479000000e-03 -1.6490000000e-03  7.0502000000e-03  5.8327000000e-03  3.5257000000e-03 -6.2670000000e-04 -1.4570000000e-03  2.3374000000e-03 -4.0273000000e-03 -6.0314000000e-03 -5.4769000000e-03
+
+JOB 30
+COORDS  9.2192600000e-01  9.5415900000e-01 -5.7031100000e-01  1.3081160000e+00  1.2781100000e-01 -8.6054900000e-01  1.6719770000e+00  1.4988540000e+00 -3.3164300000e-01 -9.7898100000e-01 -9.9467700000e-01  6.1586300000e-01 -3.1707500000e-01 -3.7928400000e-01  3.0057900000e-01 -1.7973910000e+00 -6.8747700000e-01  2.2590900000e-01
+ENERGY -1.526595892442e+02
+FORCES  5.6684000000e-03  1.3491000000e-03 -3.7000000000e-06 -4.8076000000e-03  3.5335000000e-03  4.4406000000e-03 -2.8858000000e-03 -2.8828000000e-03 -2.3022000000e-03  1.3756000000e-03  8.7478000000e-03 -3.0777000000e-03 -1.7311000000e-03 -9.2406000000e-03 -3.7080000000e-04  2.3805000000e-03 -1.5071000000e-03  1.3138000000e-03
+
+JOB 31
+COORDS -2.9863200000e-01 -2.2798000000e-01  1.4659120000e+00 -3.3359000000e-01  9.0869000000e-02  5.6405500000e-01 -1.1250030000e+00 -6.9551900000e-01  1.5873620000e+00  3.2050400000e-01  2.0369100000e-01 -1.3691420000e+00  5.6810600000e-01  1.1243720000e+00 -1.4544190000e+00  4.7676000000e-01 -1.6823900000e-01 -2.2371760000e+00
+ENERGY -1.526593156293e+02
+FORCES -1.2056000000e-03 -1.2500000000e-03 -8.5536000000e-03 -1.7742000000e-03  2.5370000000e-03  8.4279000000e-03  2.6762000000e-03  1.3295000000e-03 -5.4020000000e-04  2.4701000000e-03 -7.9510000000e-04 -3.6218000000e-03 -2.0450000000e-03 -4.7229000000e-03  1.1951000000e-03 -1.2150000000e-04  2.9015000000e-03  3.0925000000e-03
+
+JOB 32
+COORDS -6.1283400000e-01 -7.2149100000e-01 -1.0682800000e+00 -8.2826500000e-01 -1.5031860000e+00 -1.5769790000e+00 -7.4645500000e-01  5.2040000000e-03 -1.6767960000e+00  6.4433400000e-01  7.8956200000e-01  1.1449600000e+00  9.2411300000e-01 -3.9150000000e-03  1.6014140000e+00  1.4053200000e-01  4.7066700000e-01  3.9614700000e-01
+ENERGY -1.526591616940e+02
+FORCES -7.4920000000e-04 -2.1335000000e-03 -3.4356000000e-03  6.4440000000e-04  4.0057000000e-03  1.0971000000e-03  1.2304000000e-03 -3.0797000000e-03  4.7007000000e-03 -2.8543000000e-03 -9.0230000000e-03 -4.5089000000e-03 -1.1390000000e-04  2.9100000000e-03 -1.0690000000e-04  1.8427000000e-03  7.3205000000e-03  2.2536000000e-03
+
+JOB 33
+COORDS -1.4694200000e-01  5.6698000000e-02  1.5351070000e+00 -6.3336500000e-01  8.7398500000e-01  1.4270970000e+00 -2.6037900000e-01 -4.0190600000e-01  7.0261300000e-01  1.3834600000e-01 -1.2949200000e-01 -1.4545840000e+00  1.0543010000e+00  9.9120000000e-03 -1.2141150000e+00 -4.5217000000e-02  5.4920900000e-01 -2.1041240000e+00
+ENERGY -1.526594537108e+02
+FORCES -3.8501000000e-03  1.4286000000e-03 -8.8907000000e-03  1.8193000000e-03 -1.9171000000e-03  1.5539000000e-03  2.5596000000e-03 -1.7330000000e-04  7.2264000000e-03  3.3000000000e-03  4.3161000000e-03 -1.9029000000e-03 -5.2713000000e-03 -1.0513000000e-03 -9.4430000000e-04  1.4425000000e-03 -2.6030000000e-03  2.9575000000e-03
+
+JOB 34
+COORDS  3.6908600000e-01  1.2836220000e+00 -8.1103500000e-01  7.6872800000e-01  1.0632100000e+00  3.0354000000e-02 -4.1329700000e-01  7.3403100000e-01 -8.5641200000e-01 -3.7896600000e-01 -1.1810860000e+00  7.8275300000e-01 -7.9450500000e-01 -1.9875140000e+00  4.7741300000e-01  5.5987100000e-01 -1.3499040000e+00  7.0327600000e-01
+ENERGY -1.526571638209e+02
+FORCES -4.6380000000e-03 -6.5050000000e-03  6.5647000000e-03  2.0382000000e-03  7.6830000000e-04 -2.8718000000e-03  2.1967000000e-03  3.9963000000e-03 -3.7563000000e-03  2.7799000000e-03 -4.8532000000e-03 -1.3723000000e-03  1.8520000000e-03  4.0608000000e-03  7.8520000000e-04 -4.2289000000e-03  2.5329000000e-03  6.5060000000e-04
+
+JOB 35
+COORDS -6.6972900000e-01 -3.7519300000e-01 -1.3444590000e+00 -7.6951400000e-01  5.3727000000e-01 -1.6159130000e+00 -1.4535800000e-01 -3.3172100000e-01 -5.4484800000e-01  6.4639600000e-01  3.1550300000e-01  1.2492860000e+00  2.0999600000e-01 -3.1439600000e-01  1.8228830000e+00  1.0194090000e+00  9.6475600000e-01  1.8455770000e+00
+ENERGY -1.526600279001e+02
+FORCES  4.5456000000e-03  6.3498000000e-03  6.1438000000e-03 -2.9520000000e-04 -2.8223000000e-03 -3.3860000000e-04 -4.5998000000e-03 -4.9478000000e-03 -4.7449000000e-03  3.1040000000e-04  1.7473000000e-03  4.1577000000e-03  2.2017000000e-03  3.0306000000e-03 -3.8034000000e-03 -2.1626000000e-03 -3.3576000000e-03 -1.4147000000e-03
+
+JOB 36
+COORDS  7.6872300000e-01  1.3295900000e-01 -1.3513760000e+00  1.8470400000e-01 -2.4705200000e-01 -6.9506400000e-01  1.6397280000e+00  7.7797000000e-02 -9.5826300000e-01 -7.9325400000e-01 -3.7649000000e-02  1.2779430000e+00 -1.1843300000e-01 -4.2772700000e-01  1.8335400000e+00 -1.3059860000e+00 -7.8258200000e-01  9.6423500000e-01
+ENERGY -1.526559141683e+02
+FORCES -1.5935000000e-03  6.6690000000e-04  9.2465000000e-03  2.5938000000e-03 -3.5883000000e-03 -6.8070000000e-03 -2.6650000000e-03 -2.4130000000e-04 -1.4542000000e-03 -1.0289000000e-03 -2.8090000000e-03  4.7027000000e-03 -2.5749000000e-03  1.7466000000e-03 -4.3919000000e-03  5.2686000000e-03  4.2251000000e-03 -1.2961000000e-03
+
+JOB 37
+COORDS -1.0409730000e+00 -4.0961000000e-02  1.0942600000e+00 -8.4452000000e-02 -6.2142000000e-02  1.0651010000e+00 -1.2695180000e+00 -5.6932400000e-01  1.8590030000e+00  1.0504820000e+00  5.6076000000e-02 -1.0826300000e+00  8.7080600000e-01  9.0995200000e-01 -1.4761310000e+00  4.7284000000e-01 -5.4893800000e-01 -1.5479460000e+00
+ENERGY -1.526591378751e+02
+FORCES  5.5404000000e-03 -8.7810000000e-04  5.0290000000e-04 -6.5014000000e-03 -4.2580000000e-04  4.7214000000e-03  1.6250000000e-03  1.5387000000e-03 -3.4703000000e-03 -5.5975000000e-03  1.0659000000e-03 -4.4147000000e-03  1.2518000000e-03 -3.6297000000e-03  1.4333000000e-03  3.6816000000e-03  2.3290000000e-03  1.2274000000e-03
+
+JOB 38
+COORDS  2.4648700000e-01  1.3403200000e+00 -5.5697900000e-01  1.1971380000e+00  1.4358280000e+00 -6.1504000000e-01 -5.0829000000e-02  2.1485300000e+00 -1.3909000000e-01 -2.8907700000e-01 -1.4543800000e+00  5.0255800000e-01 -9.4036000000e-02 -1.3231010000e+00  1.4304350000e+00 -3.5950200000e-01 -5.6943500000e-01  1.4458500000e-01
+ENERGY -1.526608418231e+02
+FORCES  3.9937000000e-03  4.2026000000e-03  1.7620000000e-04 -4.7576000000e-03  5.5920000000e-04  7.7920000000e-04  1.9376000000e-03 -4.0362000000e-03 -1.4600000000e-03  1.1617000000e-03  8.6937000000e-03 -2.8340000000e-04 -4.3560000000e-04 -4.8940000000e-04 -2.7516000000e-03 -1.8997000000e-03 -8.9300000000e-03  3.5397000000e-03
+
+JOB 39
+COORDS  1.4850290000e+00 -1.5591000000e-01  5.3569000000e-01  1.2813830000e+00  7.3764400000e-01  8.1195300000e-01  6.5651500000e-01 -4.9798500000e-01  1.9986100000e-01 -1.4044550000e+00  1.4490700000e-01 -4.6808800000e-01 -1.5547740000e+00 -7.5858800000e-01 -7.4617500000e-01 -1.5352340000e+00  6.6496100000e-01 -1.2609770000e+00
+ENERGY -1.526583466155e+02
+FORCES -9.6322000000e-03  4.4228000000e-03 -1.3381000000e-03  2.9846000000e-03 -2.1305000000e-03 -2.5490000000e-04  5.6873000000e-03 -4.2422000000e-03  1.0591000000e-03 -2.7048000000e-03  2.3110000000e-04 -5.3721000000e-03  3.4499000000e-03  4.3019000000e-03  2.0447000000e-03  2.1530000000e-04 -2.5832000000e-03  3.8614000000e-03
+
+JOB 40
+COORDS  9.5419200000e-01  6.6678700000e-01 -9.4605500000e-01  9.5348900000e-01  3.9924000000e-01 -1.8651040000e+00  5.2442400000e-01  1.5220820000e+00 -9.4476500000e-01 -9.8516600000e-01 -7.3393800000e-01  9.7015300000e-01 -1.3572300000e-01 -5.5749400000e-01  5.6574400000e-01 -9.6384400000e-01 -2.4841700000e-01  1.7948020000e+00
+ENERGY -1.526601361696e+02
+FORCES -3.0483000000e-03  3.0912000000e-03 -5.0178000000e-03  8.0400000000e-05  1.7224000000e-03  3.9831000000e-03  2.5872000000e-03 -3.6263000000e-03 -5.4900000000e-05  6.4628000000e-03  3.6897000000e-03 -1.7642000000e-03 -5.9380000000e-03 -3.8851000000e-03  6.0067000000e-03 -1.4410000000e-04 -9.9190000000e-04 -3.1529000000e-03
+
+JOB 41
+COORDS  8.8619300000e-01  4.1813200000e-01  1.1790650000e+00  7.4911500000e-01 -3.6046900000e-01  6.3941500000e-01  1.1523870000e+00  7.5061000000e-02  2.0321030000e+00 -8.3148200000e-01 -3.8039300000e-01 -1.2054120000e+00 -1.5011760000e+00 -8.6178800000e-01 -7.1961300000e-01 -1.2623970000e+00  4.3379200000e-01 -1.4655040000e+00
+ENERGY -1.526573126667e+02
+FORCES -3.8220000000e-04 -4.2930000000e-03 -2.9054000000e-03  2.7624000000e-03  1.5984000000e-03  6.9519000000e-03 -1.9877000000e-03  7.1080000000e-04 -3.7438000000e-03 -5.0292000000e-03  4.8701000000e-03  1.0928000000e-03  3.9696000000e-03  1.3746000000e-03 -1.3986000000e-03  6.6710000000e-04 -4.2609000000e-03  3.3000000000e-06
+
+JOB 42
+COORDS  1.2550790000e+00  2.9002000000e-02  8.2404400000e-01  2.0675020000e+00 -4.1694200000e-01  5.8459700000e-01  1.4536690000e+00  9.5995100000e-01  7.2341500000e-01 -1.2978400000e+00 -5.1707000000e-02 -7.3937600000e-01 -1.1680770000e+00  6.1784200000e-01 -1.4110140000e+00 -1.6435920000e+00 -8.0618800000e-01 -1.2162870000e+00
+ENERGY -1.526496966331e+02
+FORCES  1.3330000000e-03  2.2863000000e-03 -2.7938000000e-03 -3.8753000000e-03  1.4036000000e-03  6.6970000000e-04 -6.5010000000e-04 -3.5767000000e-03  2.3440000000e-04  1.8476000000e-03 -9.6130000000e-04 -3.3799000000e-03 -3.0210000000e-04 -2.1152000000e-03  3.1023000000e-03  1.6469000000e-03  2.9633000000e-03  2.1673000000e-03
+
+JOB 43
+COORDS  1.0932850000e+00  1.0607010000e+00 -5.1801400000e-01  1.6455730000e+00  6.5545300000e-01  1.5055500000e-01  2.5760900000e-01  5.9872000000e-01 -4.5130300000e-01 -1.0761120000e+00 -9.4541100000e-01  4.6783400000e-01 -5.3649200000e-01 -1.4750620000e+00  1.0547860000e+00 -1.6367760000e+00 -1.5790290000e+00  2.0154000000e-02
+ENERGY -1.526596099466e+02
+FORCES -4.8676000000e-03 -5.9065000000e-03  4.0864000000e-03 -1.0571000000e-03  1.1836000000e-03 -1.9120000000e-03  6.3655000000e-03  5.4047000000e-03 -2.7555000000e-03 -1.2754000000e-03 -6.0099000000e-03  1.1606000000e-03 -1.9335000000e-03  2.7388000000e-03 -3.0921000000e-03  2.7681000000e-03  2.5893000000e-03  2.5127000000e-03
+
+JOB 44
+COORDS  4.5762400000e-01  1.5438660000e+00 -9.1088000000e-02  6.1327400000e-01  1.5038480000e+00 -1.0347000000e+00  1.3231500000e-01  6.7266100000e-01  1.3564200000e-01 -3.9813500000e-01 -1.4555080000e+00  1.7085500000e-01 -6.2627600000e-01 -1.4648420000e+00 -7.5871300000e-01 -1.0618140000e+00 -2.0060480000e+00  5.8638800000e-01
+ENERGY -1.526593160598e+02
+FORCES -9.6440000000e-04 -7.1067000000e-03 -6.1090000000e-04 -1.0703000000e-03 -3.4650000000e-04  2.8736000000e-03  1.9799000000e-03  8.6687000000e-03 -3.4161000000e-03 -4.4875000000e-03 -5.1037000000e-03 -7.2710000000e-04  1.4869000000e-03  2.0020000000e-03  4.6768000000e-03  3.0554000000e-03  1.8861000000e-03 -2.7964000000e-03
+
+JOB 45
+COORDS -1.2058870000e+00  8.0220900000e-01 -6.5404600000e-01 -4.8600900000e-01  1.9129500000e-01 -4.9658700000e-01 -1.0343010000e+00  1.1554240000e+00 -1.5269890000e+00  1.1086510000e+00 -7.6877900000e-01  6.9930100000e-01  1.3239920000e+00 -1.6942890000e+00  5.8401200000e-01  1.9570020000e+00 -3.2606000000e-01  7.2237300000e-01
+ENERGY -1.526601130773e+02
+FORCES  5.8346000000e-03 -3.2277000000e-03  2.9900000000e-04 -7.1019000000e-03  4.8102000000e-03 -5.2629000000e-03  2.3100000000e-05 -1.3496000000e-03  3.1156000000e-03  5.7404000000e-03 -2.2013000000e-03  2.3126000000e-03 -7.3330000000e-04  4.6725000000e-03  1.3680000000e-04 -3.7629000000e-03 -2.7040000000e-03 -6.0110000000e-04
+
+JOB 46
+COORDS -7.5201700000e-01  1.1750930000e+00  7.7895200000e-01 -6.3748800000e-01  7.0185600000e-01 -4.5161000000e-02 -1.5689720000e+00  8.3209300000e-01  1.1411240000e+00  7.8438200000e-01 -1.1298040000e+00 -8.0533300000e-01  2.3605600000e-01 -1.3018760000e+00 -3.9851000000e-02  1.6256480000e+00 -8.5461000000e-01 -4.4095400000e-01
+ENERGY -1.526576487283e+02
+FORCES -2.2725000000e-03 -1.7566000000e-03 -4.4072000000e-03 -2.3606000000e-03  1.5926000000e-03  7.0202000000e-03  4.1259000000e-03  4.2200000000e-05 -1.5836000000e-03  4.1437000000e-03 -6.9930000000e-04  6.2636000000e-03  9.7000000000e-06  2.5164000000e-03 -4.9895000000e-03 -3.6462000000e-03 -1.6953000000e-03 -2.3035000000e-03
+
+JOB 47
+COORDS -4.8514700000e-01 -3.6971400000e-01 -1.5090500000e+00  2.0176900000e-01  4.8456000000e-02 -9.8990500000e-01 -9.4310500000e-01 -9.3689500000e-01 -8.8871800000e-01  4.7161600000e-01  4.2984900000e-01  1.4072090000e+00  1.2502350000e+00  7.2307000000e-02  1.8339970000e+00 -2.4509300000e-01 -1.2830300000e-01  1.7089140000e+00
+ENERGY -1.526576013508e+02
+FORCES  2.4832000000e-03  1.3867000000e-03  7.9861000000e-03 -2.3902000000e-03 -2.7218000000e-03 -6.4936000000e-03  4.9290000000e-04  1.0974000000e-03 -1.8432000000e-03 -1.2000000000e-04 -2.8267000000e-03  5.6493000000e-03 -3.8334000000e-03  1.3941000000e-03 -2.5284000000e-03  3.3675000000e-03  1.6703000000e-03 -2.7702000000e-03
+
+JOB 48
+COORDS -6.4258500000e-01  1.4560330000e+00 -4.7255700000e-01 -2.0506300000e-01  7.1307700000e-01 -5.6836000000e-02 -5.7976000000e-01  2.1621270000e+00  1.7065100000e-01  6.3952800000e-01 -1.3896230000e+00  3.9744400000e-01 -1.8597300000e-01 -1.5716490000e+00  8.4649600000e-01  1.0018230000e+00 -2.2537040000e+00  2.0164200000e-01
+ENERGY -1.526587072548e+02
+FORCES  4.3898000000e-03 -1.9977000000e-03  3.1706000000e-03 -5.9481000000e-03  6.2175000000e-03 -8.7100000000e-05 -3.8120000000e-04 -2.8939000000e-03 -2.1059000000e-03  2.1700000000e-05 -7.0054000000e-03 -4.8260000000e-04  3.9877000000e-03  2.6971000000e-03 -2.3318000000e-03 -2.0698000000e-03  2.9824000000e-03  1.8369000000e-03
+
+JOB 49
+COORDS  4.0971600000e-01 -1.5786150000e+00  3.1257800000e-01  4.0467500000e-01 -6.4613200000e-01  9.6521000000e-02  1.3028060000e+00 -1.7510570000e+00  6.1071400000e-01 -4.6991300000e-01  1.4727180000e+00 -2.8331400000e-01 -1.8694200000e-01  2.2982630000e+00  1.0992200000e-01 -6.2668100000e-01  1.6863250000e+00 -1.2031120000e+00
+ENERGY -1.526598584997e+02
+FORCES  1.4995000000e-03  5.9508000000e-03  3.2100000000e-05  3.0144000000e-03 -9.0341000000e-03  9.5550000000e-04 -3.0509000000e-03  9.6740000000e-04 -1.0061000000e-03 -1.4713000000e-03  6.3246000000e-03 -2.1377000000e-03 -1.1899000000e-03 -3.5505000000e-03 -2.2771000000e-03  1.1982000000e-03 -6.5810000000e-04  4.4333000000e-03
+
+JOB 50
+COORDS -9.7203700000e-01  9.5930600000e-01 -9.1284900000e-01 -3.0684500000e-01  1.6317110000e+00 -7.6580500000e-01 -9.3826900000e-01  7.9016400000e-01 -1.8543810000e+00  9.4028100000e-01 -1.0479520000e+00  9.7704000000e-01  1.6324420000e+00 -3.8717100000e-01  9.9971100000e-01  1.8834900000e-01 -5.9486500000e-01  5.9554000000e-01
+ENERGY -1.526584096000e+02
+FORCES  1.0935000000e-03  3.5330000000e-03 -6.1602000000e-03 -2.1602000000e-03 -4.4291000000e-03  3.2440000000e-04 -5.4300000000e-05  1.3848000000e-03  4.3750000000e-03 -2.6777000000e-03  5.1151000000e-03 -2.9077000000e-03 -2.3119000000e-03 -1.9616000000e-03 -2.7990000000e-04  6.1106000000e-03 -3.6422000000e-03  4.6484000000e-03
+
+JOB 51
+COORDS  2.1674400000e-01 -1.6796030000e+00 -4.0523100000e-01  2.5658600000e-01 -1.5337470000e+00 -1.3504130000e+00  1.5531300000e-01 -8.0147200000e-01 -2.9273000000e-02 -1.7993100000e-01  1.5676630000e+00  4.3146400000e-01  9.0500000000e-02  2.4747110000e+00  2.8876300000e-01 -1.1040870000e+00  1.6279990000e+00  6.7338400000e-01
+ENERGY -1.526595719148e+02
+FORCES  5.4150000000e-04  6.8240000000e-03 -1.6290000000e-03 -2.0780000000e-04 -1.2238000000e-03  2.9351000000e-03 -7.2950000000e-04 -7.9870000000e-03 -1.5596000000e-03 -1.9542000000e-03  6.3587000000e-03  8.4090000000e-04 -2.0651000000e-03 -3.4798000000e-03  8.0480000000e-04  4.4151000000e-03 -4.9210000000e-04 -1.3922000000e-03
+
+JOB 52
+COORDS -1.2203470000e+00  3.3241700000e-01  1.0776120000e+00 -2.0854780000e+00  4.4784200000e-01  1.4706220000e+00 -6.0722800000e-01  5.0400500000e-01  1.7923670000e+00  1.2728170000e+00 -3.2360000000e-01 -1.0935950000e+00  8.4521200000e-01 -1.1796190000e+00 -1.0687680000e+00  8.9990700000e-01  1.0875100000e-01 -1.8618680000e+00
+ENERGY -1.526547177181e+02
+FORCES  7.3360000000e-04  1.8298000000e-03  4.8994000000e-03  3.6946000000e-03 -6.1040000000e-04 -2.2007000000e-03 -3.6936000000e-03 -8.2910000000e-04 -2.0945000000e-03 -6.0716000000e-03 -1.0542000000e-03 -1.7913000000e-03  3.0432000000e-03  2.5059000000e-03 -9.2860000000e-04  2.2937000000e-03 -1.8420000000e-03  2.1158000000e-03
+
+JOB 53
+COORDS  1.0118400000e-01 -3.0958000000e-02 -1.7518500000e+00 -6.5564700000e-01 -6.1194700000e-01 -1.8285990000e+00 -8.8990000000e-02  5.1100800000e-01 -9.8612300000e-01  6.4280000000e-03  7.6356000000e-02  1.7125860000e+00 -7.9054000000e-02 -7.0812400000e-01  2.2543570000e+00 -8.0073300000e-01  1.0225800000e-01  1.1987260000e+00
+ENERGY -1.526528535825e+02
+FORCES -1.8298000000e-03 -1.1060000000e-04  3.7316000000e-03  2.7710000000e-03  2.5493000000e-03  1.0644000000e-03 -2.3612000000e-03 -2.2439000000e-03 -3.6426000000e-03 -2.9241000000e-03 -4.9295000000e-03  1.5372000000e-03  2.9100000000e-05  3.6822000000e-03 -2.0366000000e-03  4.3150000000e-03  1.0525000000e-03 -6.5400000000e-04
+
+JOB 54
+COORDS  3.8902500000e-01  1.4380820000e+00 -8.4230500000e-01  4.3035600000e-01  1.3780450000e+00  1.1211600000e-01  1.0911880000e+00  2.0455060000e+00 -1.0751890000e+00 -4.2455200000e-01 -1.4058790000e+00  7.8682400000e-01 -1.1907870000e+00 -1.8447910000e+00  1.1562450000e+00  2.3135100000e-01 -2.0979920000e+00  7.0313400000e-01
+ENERGY -1.526549830873e+02
+FORCES  1.8649000000e-03  6.1870000000e-04  4.2895000000e-03  9.4060000000e-04  3.0828000000e-03 -4.4608000000e-03 -2.6568000000e-03 -2.8525000000e-03  8.5510000000e-04 -7.2990000000e-04 -5.4691000000e-03 -2.2840000000e-04  3.3262000000e-03  1.8648000000e-03 -1.4477000000e-03 -2.7451000000e-03  2.7554000000e-03  9.9230000000e-04
+
+JOB 55
+COORDS  6.5529300000e-01  1.1298740000e+00 -1.1300270000e+00  2.6310300000e-01  3.4930200000e-01 -1.5213420000e+00  3.0235600000e-01  1.8579150000e+00 -1.6415190000e+00 -6.5045200000e-01 -1.0985680000e+00  1.1391190000e+00  3.0359300000e-01 -1.0335860000e+00  1.1816340000e+00 -8.8471800000e-01 -1.6717680000e+00  1.8690450000e+00
+ENERGY -1.526558185365e+02
+FORCES -4.8181000000e-03 -1.6550000000e-04 -3.1380000000e-03  3.1790000000e-03  3.4771000000e-03  7.5790000000e-04  1.5461000000e-03 -2.8114000000e-03  1.6715000000e-03  3.5438000000e-03 -8.4870000000e-04  3.8058000000e-03 -4.4213000000e-03 -2.1941000000e-03 -1.8160000000e-04  9.7050000000e-04  2.5425000000e-03 -2.9156000000e-03
+
+JOB 56
+COORDS -6.9085300000e-01 -1.4678030000e+00 -6.6786900000e-01 -7.8239400000e-01 -1.4451860000e+00  2.8467500000e-01  8.9759000000e-02 -2.0000750000e+00 -8.2137300000e-01  6.4125900000e-01  1.5009350000e+00  6.9024000000e-01  9.2963200000e-01  7.1074200000e-01  2.3343900000e-01  5.6860800000e-01  2.1627120000e+00  2.4870000000e-03
+ENERGY -1.526560536471e+02
+FORCES  1.6600000000e-05 -3.5960000000e-03  3.7112000000e-03  1.5537000000e-03 -4.7650000000e-04 -4.8750000000e-03 -2.6006000000e-03  3.8051000000e-03  8.7940000000e-04 -5.0890000000e-04 -9.0690000000e-04 -6.5328000000e-03  7.2150000000e-04  3.2299000000e-03  3.7978000000e-03  8.1760000000e-04 -2.0555000000e-03  3.0194000000e-03
+
+JOB 57
+COORDS  8.1483300000e-01  1.3031200000e-01 -1.5798200000e+00  2.8106000000e-02  1.0933100000e-01 -1.0349800000e+00  7.6109000000e-01 -6.6505000000e-01 -2.1096720000e+00 -7.6974700000e-01 -2.1478000000e-02  1.5560910000e+00  2.0501000000e-02 -5.1912800000e-01  1.7660540000e+00 -1.4880600000e+00 -6.3443500000e-01  1.7127480000e+00
+ENERGY -1.526577639867e+02
+FORCES -4.5837000000e-03 -2.0095000000e-03  1.2137000000e-03  4.7030000000e-03 -9.9690000000e-04 -5.6930000000e-03  2.0170000000e-04  2.7793000000e-03  2.3961000000e-03  6.8090000000e-04 -4.1319000000e-03  4.9114000000e-03 -4.3829000000e-03  1.8257000000e-03 -1.3401000000e-03  3.3810000000e-03  2.5334000000e-03 -1.4881000000e-03
+
+JOB 58
+COORDS -1.0629110000e+00  1.4370200000e+00 -2.8434200000e-01 -1.4539320000e+00  1.2246080000e+00 -1.1318180000e+00 -1.2702380000e+00  6.8530200000e-01  2.7078700000e-01  1.0607100000e+00 -1.4304090000e+00  3.3653800000e-01  1.9454250000e+00 -1.5164020000e+00 -1.8591000000e-02  8.2733900000e-01 -5.1531500000e-01  1.8042000000e-01
+ENERGY -1.526571912791e+02
+FORCES -5.7724000000e-03 -2.6281000000e-03 -1.5878000000e-03  2.0132000000e-03  1.0878000000e-03  3.7813000000e-03  3.6046000000e-03  3.3573000000e-03 -3.0222000000e-03  3.7539000000e-03  4.2110000000e-03 -2.4155000000e-03 -3.4623000000e-03  1.4880000000e-04  1.3332000000e-03 -1.3710000000e-04 -6.1768000000e-03  1.9110000000e-03
+
+JOB 59
+COORDS -3.8863200000e-01 -3.2526100000e-01  1.7237010000e+00 -6.1085900000e-01  1.0982000000e-01  2.5468360000e+00 -9.9256000000e-01 -1.0661740000e+00  1.6732020000e+00  3.9196900000e-01  3.0186700000e-01 -1.7844430000e+00  4.3975100000e-01  7.0227500000e-01 -9.1632800000e-01  1.1270080000e+00  6.8255000000e-01 -2.2651000000e+00
+ENERGY -1.526570695731e+02
+FORCES -4.0901000000e-03 -2.6764000000e-03  3.6076000000e-03  9.9320000000e-04 -1.7547000000e-03 -3.5326000000e-03  2.4199000000e-03  3.3134000000e-03  1.1455000000e-03  2.8345000000e-03  2.6363000000e-03  3.3527000000e-03  6.3100000000e-04 -1.6050000000e-04 -6.4449000000e-03 -2.7885000000e-03 -1.3581000000e-03  1.8717000000e-03
+
+JOB 60
+COORDS -2.2398300000e-01 -1.5789790000e+00 -1.0579530000e+00 -7.0507500000e-01 -1.2791860000e+00 -2.8665100000e-01 -9.0433000000e-01 -1.8377840000e+00 -1.6795480000e+00  2.5409000000e-01  1.5189350000e+00  1.0551840000e+00  2.7791500000e-01  2.1301140000e+00  3.1889300000e-01  9.3717400000e-01  1.8312730000e+00  1.6485420000e+00
+ENERGY -1.526558088956e+02
+FORCES -4.3551000000e-03  9.3680000000e-04  2.0194000000e-03  1.0181000000e-03 -3.0855000000e-03 -4.3658000000e-03  2.7208000000e-03  1.2613000000e-03  2.3085000000e-03  3.9671000000e-03  3.8722000000e-03 -1.0720000000e-03 -4.5650000000e-04 -1.9974000000e-03  3.4750000000e-03 -2.8943000000e-03 -9.8750000000e-04 -2.3651000000e-03
+
+JOB 61
+COORDS  1.8545400000e-01  7.5062000000e-02  1.9560620000e+00 -3.6462600000e-01 -3.8869500000e-01  1.3247350000e+00  1.0792120000e+00 -6.2406000000e-02  1.6421660000e+00 -1.7505800000e-01 -5.2458000000e-02 -1.8394200000e+00  8.4970000000e-03  6.3476700000e-01 -2.4799370000e+00 -8.7169900000e-01 -5.7318900000e-01 -2.2391230000e+00
+ENERGY -1.526563412371e+02
+FORCES  1.3687000000e-03 -2.0269000000e-03 -6.2382000000e-03  1.2943000000e-03  8.5550000000e-04  4.6112000000e-03 -2.8045000000e-03  5.2180000000e-04  2.4738000000e-03 -1.9460000000e-03  1.7991000000e-03 -5.3064000000e-03 -7.9540000000e-04 -3.2298000000e-03  2.2843000000e-03  2.8829000000e-03  2.0803000000e-03  2.1754000000e-03
+
+JOB 62
+COORDS  1.6239400000e-01  9.4929700000e-01 -1.6205360000e+00  6.7393600000e-01  1.5112400000e+00 -2.2025800000e+00 -2.6841000000e-02  1.7057800000e-01 -2.1440040000e+00 -1.3848700000e-01 -9.7693900000e-01  1.7011050000e+00 -3.7148000000e-02 -2.6171600000e-01  1.0730780000e+00 -1.0090680000e+00 -8.4511400000e-01  2.0765280000e+00
+ENERGY -1.526576311897e+02
+FORCES  1.9137000000e-03 -2.4370000000e-04 -5.9549000000e-03 -2.3446000000e-03 -2.5155000000e-03  2.0041000000e-03  7.4240000000e-04  3.5918000000e-03  2.3598000000e-03 -2.5982000000e-03  4.5290000000e-03 -1.8251000000e-03 -9.3030000000e-04 -4.6182000000e-03  4.7406000000e-03  3.2170000000e-03 -7.4330000000e-04 -1.3244000000e-03
+
+JOB 63
+COORDS  4.4545900000e-01  1.3738540000e+00 -1.2758480000e+00  1.3087690000e+00  1.6037090000e+00 -9.3220000000e-01  4.4060900000e-01  1.7243460000e+00 -2.1665580000e+00 -5.2693800000e-01 -1.4155050000e+00  1.3690090000e+00 -1.0022170000e+00 -1.5138450000e+00  5.4398100000e-01  3.7573200000e-01 -1.2358960000e+00  1.1060270000e+00
+ENERGY -1.526552601299e+02
+FORCES  3.3479000000e-03  3.7141000000e-03 -2.4710000000e-03 -3.4934000000e-03 -1.6514000000e-03 -1.4276000000e-03  3.1800000000e-05 -1.5657000000e-03  3.7937000000e-03  1.5347000000e-03  1.9110000000e-03 -5.8043000000e-03  1.3338000000e-03 -9.9620000000e-04  3.8355000000e-03 -2.7547000000e-03 -1.4119000000e-03  2.0737000000e-03
+
+JOB 64
+COORDS  1.3145590000e+00 -8.3592600000e-01 -1.2512040000e+00  5.9420500000e-01 -2.2385200000e-01 -1.4018240000e+00  1.9848470000e+00 -5.7809300000e-01 -1.8840290000e+00 -1.2486390000e+00  7.7515800000e-01  1.2581140000e+00 -1.6620910000e+00  1.7681400000e-01  1.8804280000e+00 -1.8235140000e+00  1.5403470000e+00  1.2427640000e+00
+ENERGY -1.526550612324e+02
+FORCES -1.1095000000e-03  4.2509000000e-03 -1.9462000000e-03  3.8234000000e-03 -3.0397000000e-03 -1.4152000000e-03 -2.6112000000e-03 -1.0093000000e-03  2.4623000000e-03 -3.9620000000e-03  6.2100000000e-05  3.7551000000e-03  1.3211000000e-03  2.9189000000e-03 -2.5103000000e-03  2.5383000000e-03 -3.1829000000e-03 -3.4570000000e-04
+
+JOB 65
+COORDS -1.2409870000e+00 -4.4965900000e-01  1.5908900000e+00 -1.6564060000e+00  3.7936400000e-01  1.8283360000e+00 -3.8478800000e-01 -4.1999600000e-01  2.0178280000e+00  1.1515900000e+00  3.8342300000e-01 -1.6351460000e+00  1.6370330000e+00  9.1459700000e-01 -1.0039310000e+00  1.8174280000e+00  6.9529000000e-02 -2.2469970000e+00
+ENERGY -1.526527882950e+02
+FORCES  1.9314000000e-03  3.4111000000e-03  1.7189000000e-03  1.7654000000e-03 -3.3466000000e-03 -7.2160000000e-04 -3.3674000000e-03  8.4100000000e-05 -1.3206000000e-03  4.4020000000e-03  6.4330000000e-04  1.6300000000e-05 -1.9155000000e-03 -2.0870000000e-03 -2.2772000000e-03 -2.8160000000e-03  1.2951000000e-03  2.5843000000e-03
+
+JOB 66
+COORDS -8.2773900000e-01 -7.2799200000e-01  1.8584170000e+00 -1.0222320000e+00 -2.7611800000e-01  1.0373110000e+00 -1.6077550000e+00 -1.2545600000e+00  2.0331570000e+00  9.0788900000e-01  7.9908000000e-01 -1.8037760000e+00  1.3007440000e+00 -2.6207000000e-02 -1.5195260000e+00  1.5269700000e-01  5.3664800000e-01 -2.3301280000e+00
+ENERGY -1.526548128270e+02
+FORCES -4.0212000000e-03  6.1460000000e-04 -2.2665000000e-03  3.8570000000e-04 -3.0820000000e-03  3.4887000000e-03  3.2443000000e-03  2.0906000000e-03 -9.2740000000e-04  3.4900000000e-05 -4.3740000000e-03 -1.8280000000e-03 -2.2931000000e-03  3.6806000000e-03 -1.3971000000e-03  2.6494000000e-03  1.0702000000e-03  2.9302000000e-03
+
+JOB 67
+COORDS -3.3502000000e-02  1.7800680000e+00 -1.1894320000e+00 -5.0724800000e-01  1.0664680000e+00 -1.6167150000e+00  2.0216400000e-01  2.3728440000e+00 -1.9030910000e+00  6.5690000000e-02 -1.8286630000e+00  1.2082760000e+00  2.0355400000e-01 -8.8863200000e-01  1.0918030000e+00 -4.1287800000e-01 -1.9005210000e+00  2.0341340000e+00
+ENERGY -1.526559824440e+02
+FORCES -8.2170000000e-04  8.2300000000e-05 -5.5200000000e-03  2.1107000000e-03  3.1376000000e-03  2.2780000000e-03 -1.1628000000e-03 -2.4254000000e-03  2.7895000000e-03 -8.7900000000e-04  4.0939000000e-03  3.1425000000e-03 -1.0943000000e-03 -5.0352000000e-03  5.9730000000e-04  1.8471000000e-03  1.4680000000e-04 -3.2873000000e-03
+
+JOB 68
+COORDS -5.4754300000e-01  4.9538500000e-01 -2.0711580000e+00 -1.3035190000e+00 -9.1646000000e-02 -2.0598470000e+00 -9.2166600000e-01  1.3658740000e+00 -2.2072180000e+00  5.6656200000e-01 -5.2520100000e-01  2.0404740000e+00  1.1312020000e+00  2.4555900000e-01  2.0982920000e+00  8.8889000000e-01 -1.1107650000e+00  2.7256390000e+00
+ENERGY -1.526537759926e+02
+FORCES -4.8303000000e-03  5.1870000000e-04  3.7440000000e-04  2.8889000000e-03  2.5576000000e-03 -7.8110000000e-04  1.7019000000e-03 -3.3463000000e-03  4.9860000000e-04  4.0260000000e-03  1.0903000000e-03  2.2624000000e-03 -2.3296000000e-03 -3.1193000000e-03  4.5990000000e-04 -1.4569000000e-03  2.2989000000e-03 -2.8142000000e-03
+
+JOB 69
+COORDS  1.0858280000e+00 -5.1914100000e-01 -1.9640380000e+00  2.1766800000e-01 -5.8006400000e-01 -1.5655170000e+00  9.4571400000e-01 -2.1498000000e-02 -2.7696130000e+00 -1.0809880000e+00  5.2244000000e-01  1.9550420000e+00 -6.2919400000e-01  7.9453400000e-01  2.7538400000e+00 -6.2116800000e-01 -2.6979200000e-01  1.6772530000e+00
+ENERGY -1.526546430751e+02
+FORCES -4.3562000000e-03  2.4989000000e-03 -2.0842000000e-03  3.8806000000e-03 -4.9580000000e-04 -1.0835000000e-03  6.9500000000e-04 -2.1999000000e-03  3.1262000000e-03  4.2916000000e-03 -1.8345000000e-03  2.8304000000e-03 -2.0665000000e-03 -1.1544000000e-03 -3.1340000000e-03 -2.4445000000e-03  3.1857000000e-03  3.4520000000e-04
+
+JOB 70
+COORDS -9.2276000000e-02 -1.9975200000e+00 -1.1225170000e+00 -5.2486100000e-01 -1.2999900000e+00 -1.6150140000e+00 -7.9731300000e-01 -2.6038730000e+00 -8.9560100000e-01  1.1369700000e-01  2.0173460000e+00  1.1815700000e+00  6.6844100000e-01  2.4841060000e+00  5.5656900000e-01  2.3343200000e-01  1.0927200000e+00  9.6486600000e-01
+ENERGY -1.526553945972e+02
+FORCES -5.0993000000e-03 -8.4040000000e-04 -1.7971000000e-03  2.2423000000e-03 -2.4699000000e-03  2.6190000000e-03  3.0033000000e-03  2.6432000000e-03 -9.9150000000e-04  3.3326000000e-03 -2.3572000000e-03 -3.0189000000e-03 -2.4623000000e-03 -1.7433000000e-03  2.3350000000e-03 -1.0166000000e-03  4.7676000000e-03  8.5350000000e-04
+
+JOB 71
+COORDS  1.5833900000e+00 -1.5451440000e+00 -7.8744500000e-01  1.7418000000e+00 -2.4768200000e+00 -6.3539900000e-01  6.5412600000e-01 -1.4930690000e+00 -1.0110240000e+00 -1.5977420000e+00  1.5569700000e+00  7.6989100000e-01 -7.0952200000e-01  1.2200590000e+00  8.8731300000e-01 -1.5334370000e+00  2.4857890000e+00  9.9213400000e-01
+ENERGY -1.526553453138e+02
+FORCES -3.0585000000e-03 -4.2145000000e-03 -8.8940000000e-04 -6.2830000000e-04  3.8356000000e-03 -6.4050000000e-04  4.1743000000e-03  6.2400000000e-05  1.4515000000e-03  4.2035000000e-03  2.7833000000e-03  1.6098000000e-03 -4.3331000000e-03  1.2545000000e-03 -7.0230000000e-04 -3.5790000000e-04 -3.7213000000e-03 -8.2910000000e-04
+
+JOB 72
+COORDS  1.0141540000e+00  6.3268100000e-01 -2.2960470000e+00  1.7038450000e+00  1.1930070000e+00 -1.9402470000e+00  2.8966900000e-01  7.2122500000e-01 -1.6767630000e+00 -9.4871900000e-01 -6.5816000000e-01  2.2665760000e+00 -1.5349490000e+00 -1.3972510000e+00  2.4287810000e+00 -1.4703470000e+00 -4.8048000000e-02  1.7451350000e+00
+ENERGY -1.526539792605e+02
+FORCES  2.8000000000e-04  2.3029000000e-03  4.4496000000e-03 -2.8850000000e-03 -2.0984000000e-03 -1.6901000000e-03  2.4048000000e-03 -6.8200000000e-05 -2.7417000000e-03 -4.7783000000e-03 -1.1049000000e-03 -9.5010000000e-04  2.3851000000e-03  3.2030000000e-03 -6.4580000000e-04  2.5934000000e-03 -2.2344000000e-03  1.5780000000e-03
+
+JOB 73
+COORDS  3.9247500000e-01  2.5106830000e+00  1.8134600000e-01  1.0267310000e+00  2.8961180000e+00 -4.2312900000e-01  8.1864200000e-01  2.5557300000e+00  1.0372580000e+00 -4.5307000000e-01 -2.5597420000e+00 -2.4964900000e-01 -4.4168400000e-01 -3.0619330000e+00  5.6515600000e-01 -4.1610000000e-01 -1.6454780000e+00  3.1398000000e-02
+ENERGY -1.526549175633e+02
+FORCES  4.4817000000e-03  2.5636000000e-03  6.6280000000e-04 -2.6080000000e-03 -1.5799000000e-03  2.6759000000e-03 -1.8599000000e-03 -5.9800000000e-04 -3.4932000000e-03 -7.3000000000e-06  2.2849000000e-03  4.2344000000e-03  3.8100000000e-05  1.9431000000e-03 -3.2020000000e-03 -4.4600000000e-05 -4.6137000000e-03 -8.7780000000e-04
+
+JOB 74
+COORDS  1.2823300000e+00  1.8585440000e+00 -1.5089980000e+00  2.0331800000e+00  2.0426970000e+00 -2.0733940000e+00  1.3674280000e+00  2.4800350000e+00 -7.8599200000e-01 -1.3522660000e+00 -1.8620730000e+00  1.5515980000e+00 -1.6034960000e+00 -2.7660530000e+00  1.3620280000e+00 -7.0022200000e-01 -1.6491620000e+00  8.8396100000e-01
+ENERGY -1.526547972431e+02
+FORCES  3.3471000000e-03  3.7283000000e-03  5.8960000000e-04 -3.0594000000e-03 -8.2090000000e-04  2.3268000000e-03 -2.2320000000e-04 -2.6613000000e-03 -3.0390000000e-03  1.7126000000e-03 -2.4710000000e-03 -3.9074000000e-03  9.8700000000e-04  3.5422000000e-03  8.4870000000e-04 -2.7640000000e-03 -1.3173000000e-03  3.1812000000e-03
+
+JOB 75
+COORDS  1.4157910000e+00  1.5622080000e+00 -1.8027210000e+00  1.3965680000e+00  9.3987800000e-01 -1.0756950000e+00  2.3339400000e+00  1.8243170000e+00 -1.8700470000e+00 -1.5012520000e+00 -1.5024190000e+00  1.7158030000e+00 -9.3708500000e-01 -2.2554970000e+00  1.5402460000e+00 -1.5281620000e+00 -1.4401230000e+00  2.6705940000e+00
+ENERGY -1.526541337668e+02
+FORCES  3.1813000000e-03 -1.5173000000e-03  2.9512000000e-03  6.8000000000e-04  2.5480000000e-03 -3.2364000000e-03 -3.6823000000e-03 -1.0858000000e-03  2.6320000000e-04  1.5835000000e-03 -3.0462000000e-03  3.3681000000e-03 -2.0164000000e-03  3.3588000000e-03  6.4100000000e-04  2.5390000000e-04 -2.5730000000e-04 -3.9871000000e-03
+
+JOB 76
+COORDS -1.5051740000e+00  8.0696500000e-01  2.1780850000e+00 -2.3326210000e+00  1.2650820000e+00  2.3253670000e+00 -1.1446740000e+00  1.2105050000e+00  1.3885110000e+00  1.5320260000e+00 -9.1055600000e-01 -2.1336470000e+00  2.1953850000e+00 -3.9298100000e-01 -2.5900490000e+00  8.7488300000e-01 -2.7069500000e-01 -1.8598320000e+00
+ENERGY -1.526533864282e+02
+FORCES -2.0422000000e-03  3.4651000000e-03 -2.3102000000e-03  3.4829000000e-03 -1.8805000000e-03 -6.6490000000e-04 -1.3375000000e-03 -1.7053000000e-03  2.8091000000e-03  1.4390000000e-04  4.4725000000e-03 -7.1950000000e-04 -2.8171000000e-03 -2.0811000000e-03  1.9065000000e-03  2.5701000000e-03 -2.2707000000e-03 -1.0209000000e-03
+
+JOB 77
+COORDS -2.9207000000e-02  2.8911670000e+00  1.2130500000e-01  4.3850500000e-01  2.8124180000e+00 -7.1012500000e-01 -8.4608500000e-01  2.4116370000e+00 -1.6513000000e-02  2.5887000000e-02 -2.9016610000e+00 -2.2876000000e-02  2.5062200000e-01 -1.9751620000e+00  6.2710000000e-02  1.8369700000e-01 -3.1026660000e+00 -9.4533200000e-01
+ENERGY -1.526539512854e+02
+FORCES -1.7192000000e-03 -1.5258000000e-03 -3.9224000000e-03 -1.8856000000e-03 -7.8500000000e-05  3.5032000000e-03  3.6970000000e-03  1.6327000000e-03  5.1150000000e-04  1.8636000000e-03  2.7814000000e-03 -3.1304000000e-03 -1.2174000000e-03 -3.7866000000e-03 -6.9490000000e-04 -7.3850000000e-04  9.7680000000e-04  3.7331000000e-03
+
+JOB 78
+COORDS  2.1942410000e+00 -1.9376600000e-01 -1.9411580000e+00  1.2851570000e+00 -3.8022000000e-01 -2.1757480000e+00  2.3056740000e+00  7.3722100000e-01 -2.1337140000e+00 -2.1771140000e+00  2.0858400000e-01  1.9555830000e+00 -2.5148890000e+00 -5.1018100000e-01  2.4899200000e+00 -1.3517260000e+00 -1.2273600000e-01  1.6017570000e+00
+ENERGY -1.526544699826e+02
+FORCES -3.0255000000e-03  3.2461000000e-03 -2.2265000000e-03  3.6739000000e-03  6.3080000000e-04  1.3566000000e-03 -4.6920000000e-04 -3.9019000000e-03  8.5690000000e-04  2.1470000000e-03 -4.3292000000e-03  1.0725000000e-03  1.3198000000e-03  2.9327000000e-03 -2.2297000000e-03 -3.6461000000e-03  1.4214000000e-03  1.1702000000e-03
+
+JOB 79
+COORDS  6.1109000000e-01 -3.1503100000e-01 -2.9304000000e+00 -3.2587200000e-01 -3.7935600000e-01 -2.7454770000e+00  1.0108060000e+00 -9.9029800000e-01 -2.3822460000e+00 -5.3543100000e-01  3.3428400000e-01  2.8503830000e+00 -6.3712200000e-01  1.5329100000e-01  3.7847990000e+00 -1.2704120000e+00  9.0874100000e-01  2.6358280000e+00
+ENERGY -1.526543727220e+02
+FORCES -2.0586000000e-03 -2.9854000000e-03  3.5005000000e-03  3.6389000000e-03  3.2000000000e-04 -9.8910000000e-04 -1.5946000000e-03  2.6080000000e-03 -2.5883000000e-03 -3.2831000000e-03  1.8793000000e-03  3.1378000000e-03  3.8040000000e-04  6.9980000000e-04 -3.8563000000e-03  2.9170000000e-03 -2.5217000000e-03  7.9540000000e-04
+
+JOB 80
+COORDS  9.1068600000e-01 -1.9127620000e+00  2.2573770000e+00  6.8860700000e-01 -1.8286190000e+00  1.3301050000e+00  1.2633990000e+00 -1.0561700000e+00  2.4983650000e+00 -9.0006400000e-01  1.8066450000e+00 -2.2495100000e+00 -1.3903600000e+00  2.5345190000e+00 -2.6316640000e+00 -7.4289800000e-01  2.0725810000e+00 -1.3435250000e+00
+ENERGY -1.526541620699e+02
+FORCES  6.1050000000e-04  3.5805000000e-03 -3.0139000000e-03  9.1960000000e-04 -2.0070000000e-04  4.0521000000e-03 -1.5400000000e-03 -3.3364000000e-03 -9.5050000000e-04 -1.6430000000e-03  4.3397000000e-03  1.8125000000e-03  2.0620000000e-03 -2.9804000000e-03  1.6250000000e-03 -4.0910000000e-04 -1.4027000000e-03 -3.5252000000e-03
+
+JOB 81
+COORDS -1.9196520000e+00 -4.3529900000e-01 -2.6414360000e+00 -1.7999310000e+00 -1.3812820000e+00 -2.5576880000e+00 -1.5061550000e+00 -7.0854000000e-02 -1.8588550000e+00  1.8595110000e+00  4.7626500000e-01  2.6416590000e+00  2.0535610000e+00  1.0126010000e+00  1.8729470000e+00  2.3556330000e+00 -3.3047500000e-01  2.5028610000e+00
+ENERGY -1.526541031375e+02
+FORCES  1.8866000000e-03 -2.4026000000e-03  3.6956000000e-03 -3.7250000000e-04  3.8666000000e-03 -4.0660000000e-04 -1.4572000000e-03 -1.4534000000e-03 -3.3697000000e-03  3.2284000000e-03 -9.1760000000e-04 -3.3419000000e-03 -1.0665000000e-03 -2.3689000000e-03  2.9988000000e-03 -2.2188000000e-03  3.2758000000e-03  4.2380000000e-04
+
+JOB 82
+COORDS  1.7078520000e+00  4.9795700000e-01 -2.9083320000e+00  1.9574460000e+00 -1.7663200000e-01 -2.2767740000e+00  2.5332570000e+00  9.1888800000e-01 -3.1486530000e+00 -1.7705410000e+00 -5.6020300000e-01  2.8871570000e+00 -1.1273210000e+00  7.0900000000e-03  3.3122190000e+00 -2.3882460000e+00  4.3918000000e-02  2.4751960000e+00
+ENERGY -1.526542490963e+02
+FORCES  4.3488000000e-03 -1.2398000000e-03  1.5707000000e-03 -9.3040000000e-04  2.8900000000e-03 -2.6181000000e-03 -3.3721000000e-03 -1.6569000000e-03  1.0111000000e-03 -3.3900000000e-05  4.8720000000e-03 -6.9400000000e-05 -2.5280000000e-03 -2.3735000000e-03 -1.7020000000e-03  2.5156000000e-03 -2.4918000000e-03  1.8077000000e-03
+
+JOB 83
+COORDS  1.6438540000e+00  7.2060400000e-01 -2.9639980000e+00  2.0271860000e+00  7.4293000000e-02 -2.3710640000e+00  2.3720580000e+00  9.9793000000e-01 -3.5199130000e+00 -1.7062650000e+00 -7.1777500000e-01  3.0283390000e+00 -1.2155520000e+00 -2.8316000000e-02  2.5810360000e+00 -2.3034610000e+00 -1.0580990000e+00  2.3621790000e+00
+ENERGY -1.526543524203e+02
+FORCES  4.7042000000e-03 -1.4941000000e-03 -8.1600000000e-05 -1.7219000000e-03  2.6869000000e-03 -2.2916000000e-03 -2.9831000000e-03 -1.1470000000e-03  2.3027000000e-03 -5.7580000000e-04  1.5706000000e-03 -4.6240000000e-03 -1.8846000000e-03 -2.9101000000e-03  1.9183000000e-03  2.4611000000e-03  1.2937000000e-03  2.7763000000e-03
+
+JOB 84
+COORDS  3.5254600000e-01 -3.7493120000e+00 -1.0516300000e+00  7.8038100000e-01 -3.4771620000e+00 -1.8634940000e+00  5.2094100000e-01 -3.0327490000e+00 -4.3973700000e-01 -3.8259600000e-01  3.6618480000e+00  1.1163160000e+00 -9.8022100000e-01  3.5499050000e+00  3.7702900000e-01  1.7817800000e-01  4.3949590000e+00  8.6271600000e-01
+ENERGY -1.526542006264e+02
+FORCES  2.4633000000e-03  4.0647000000e-03 -6.6500000000e-04 -1.7670000000e-03 -1.1076000000e-03  3.2429000000e-03 -6.9480000000e-04 -2.9860000000e-03 -2.6106000000e-03 -2.8550000000e-04  2.7426000000e-03 -3.9495000000e-03  2.5417000000e-03  3.5350000000e-04  2.9844000000e-03 -2.2576000000e-03 -3.0672000000e-03  9.9780000000e-04
+
+JOB 85
+COORDS -2.5151070000e+00  1.5543750000e+00 -2.9100940000e+00 -3.1371450000e+00  1.3286020000e+00 -2.2184820000e+00 -1.8587910000e+00  2.0981440000e+00 -2.4744380000e+00  2.4993230000e+00 -1.6056950000e+00  2.7916260000e+00  2.1199270000e+00 -1.7293720000e+00  3.6616810000e+00  3.1340510000e+00 -8.9822800000e-01  2.9049460000e+00
+ENERGY -1.526540632699e+02
+FORCES  2.6520000000e-04  1.1229000000e-03  4.6715000000e-03  2.4561000000e-03  9.9780000000e-04 -2.8424000000e-03 -2.7254000000e-03 -2.1000000000e-03 -1.8102000000e-03  1.1601000000e-03  2.2565000000e-03  4.0337000000e-03  1.5011000000e-03  5.5870000000e-04 -3.5757000000e-03 -2.6572000000e-03 -2.8359000000e-03 -4.7690000000e-04
+
+JOB 86
+COORDS  8.4580800000e-01  4.1371280000e+00 -2.0497800000e-01 -8.2123000000e-02  4.2522460000e+00 -4.0973200000e-01  8.8626000000e-01  3.3045060000e+00  2.6548500000e-01 -8.4727400000e-01 -4.1509650000e+00  1.8582500000e-01 -5.0374800000e-01 -3.5235110000e+00 -4.5019600000e-01 -4.4385500000e-01 -3.8966610000e+00  1.0157730000e+00
+ENERGY -1.526539360283e+02
+FORCES -3.6745000000e-03 -2.7581000000e-03  1.1055000000e-03  3.8315000000e-03 -5.4460000000e-04  8.3930000000e-04 -1.3830000000e-04  3.2737000000e-03 -1.9542000000e-03  3.1193000000e-03  3.4098000000e-03  7.5060000000e-04 -1.4522000000e-03 -2.4525000000e-03  2.6655000000e-03 -1.6858000000e-03 -9.2820000000e-04 -3.4067000000e-03
+
+JOB 87
+COORDS -7.7898200000e-01 -1.5493670000e+00  4.5925960000e+00 -1.1437610000e+00 -1.3368420000e+00  5.4516660000e+00 -5.6399700000e-01 -2.4805340000e+00  4.6468430000e+00  7.8143900000e-01  1.6604830000e+00 -4.6389270000e+00  5.2201100000e-01  1.0169320000e+00 -3.9795560000e+00  1.1214530000e+00  1.1369220000e+00 -5.3645350000e+00
+ENERGY -1.526541161807e+02
+FORCES -6.1640000000e-04 -2.8837000000e-03  3.7916000000e-03  1.4886000000e-03 -8.9180000000e-04 -3.5128000000e-03 -8.7410000000e-04  3.7874000000e-03 -2.6600000000e-04  3.1130000000e-04 -4.7608000000e-03 -1.5220000000e-04  1.0694000000e-03  2.6118000000e-03 -2.7826000000e-03 -1.3789000000e-03  2.1370000000e-03  2.9220000000e-03
+
+JOB 88
+COORDS -4.8606650000e+00  2.9371470000e+00 -2.2054800000e+00 -5.0956460000e+00  3.7804170000e+00 -1.8182970000e+00 -4.2458870000e+00  3.1573750000e+00 -2.9053220000e+00  4.8702500000e+00 -3.0022910000e+00  2.1703890000e+00  5.1261790000e+00 -2.4308620000e+00  2.8944060000e+00  4.0432520000e+00 -3.3924520000e+00  2.4533750000e+00
+ENERGY -1.526541012621e+02
+FORCES  1.5596000000e-03  4.3350000000e-03 -1.3064000000e-03  9.5640000000e-04 -3.4416000000e-03 -1.5633000000e-03 -2.5176000000e-03 -8.9120000000e-04  2.8659000000e-03 -2.3679000000e-03  7.3140000000e-04  4.1005000000e-03 -1.0265000000e-03 -2.3229000000e-03 -2.9524000000e-03  3.3961000000e-03  1.5893000000e-03 -1.1443000000e-03
+
+JOB 89
+COORDS -8.0925260000e+00 -4.5099230000e+00  2.5162200000e-01 -8.1738180000e+00 -3.8173430000e+00 -4.0409000000e-01 -7.1692050000e+00 -4.7606610000e+00  2.2264700000e-01  8.0279300000e+00  4.4330620000e+00 -2.4852200000e-01  7.4662900000e+00  5.1915890000e+00 -8.9054000000e-02  8.8488310000e+00  4.6445850000e+00  1.9601300000e-01
+ENERGY -1.526540916213e+02
+FORCES  3.4453000000e-03  1.8005000000e-03 -2.7957000000e-03  3.2470000000e-04 -2.8229000000e-03  2.6757000000e-03 -3.7716000000e-03  1.0221000000e-03  1.2020000000e-04  1.0705000000e-03  3.9620000000e-03  2.4667000000e-03  2.2833000000e-03 -3.0980000000e-03 -6.5290000000e-04 -3.3522000000e-03 -8.6380000000e-04 -1.8139000000e-03
+
+JOB 0
+COORDS -1.3762200000e-01  7.8267100000e-01  1.0294410000e+00  1.1403000000e-02  1.5889800000e-01  3.1885700000e-01 -4.4129100000e-01  1.5776290000e+00  5.9119400000e-01  1.2066900000e-01 -7.6875100000e-01 -9.1734000000e-01  2.2060000000e-03 -4.7035900000e-01 -1.8190940000e+00  7.2513700000e-01 -1.5077120000e+00 -9.8652900000e-01
+ENERGY -1.526538582407e+02
+FORCES  2.4432000000e-03 -1.5507900000e-02 -2.1717200000e-02 -3.2480000000e-04  2.1831000000e-03  4.0190000000e-03  7.2180000000e-04 -2.6567000000e-03 -7.2550000000e-04 -8.3400000000e-04  1.4168400000e-02  1.5276600000e-02  1.5275000000e-03 -2.6200000000e-03  4.3850000000e-03 -3.5336000000e-03  4.4331000000e-03 -1.2378000000e-03
+
+JOB 1
+COORDS -1.0116600000e+00  6.8982900000e-01  4.5882800000e-01 -8.6282000000e-02  4.5361400000e-01  5.2293400000e-01 -1.0566270000e+00  1.2825390000e+00 -2.9144200000e-01  9.9036900000e-01 -6.7103100000e-01 -4.5985500000e-01  5.1404000000e-02 -8.5692300000e-01 -4.6431800000e-01  1.3312630000e+00 -1.1749240000e+00  2.7914100000e-01
+ENERGY -1.526535709669e+02
+FORCES  1.7359100000e-02 -1.8522000000e-03 -7.1568000000e-03 -7.3329000000e-03 -7.8330000000e-03 -4.3200000000e-05 -4.9410000000e-04 -3.5986000000e-03  2.0035000000e-03 -1.2339800000e-02  7.9810000000e-04  2.6996000000e-03  6.7095000000e-03  6.7445000000e-03  4.2043000000e-03 -3.9018000000e-03  5.7412000000e-03 -1.7075000000e-03
+
+JOB 2
+COORDS -7.4713100000e-01 -2.2496800000e-01  1.1526250000e+00 -3.3801500000e-01 -2.0684700000e-01  2.8745000000e-01 -4.3942800000e-01  5.7414200000e-01  1.5803800000e+00  6.5523300000e-01  2.1166600000e-01 -1.0920980000e+00  1.5957330000e+00  2.4403200000e-01 -9.1704200000e-01  5.6677800000e-01 -4.1056100000e-01 -1.8140680000e+00
+ENERGY -1.526591867578e+02
+FORCES  9.4750000000e-03  5.9103000000e-03 -1.4273100000e-02 -5.1682000000e-03 -3.7424000000e-03  6.2978000000e-03 -3.5200000000e-05 -2.2040000000e-03 -5.9720000000e-04  9.4600000000e-05 -2.5050000000e-03  4.9433000000e-03 -5.0825000000e-03 -2.0730000000e-04 -1.4163000000e-03  7.1630000000e-04  2.7482000000e-03  5.0455000000e-03
+
+JOB 3
+COORDS  1.0972280000e+00  4.9546600000e-01  6.6415300000e-01  1.7110140000e+00 -2.1530500000e-01  8.4936500000e-01  3.9319100000e-01  8.0766000000e-02  1.6556700000e-01 -1.0401730000e+00 -4.3491300000e-01 -6.2004500000e-01 -1.3092060000e+00 -1.1231150000e+00 -1.2285110000e+00 -1.7898520000e+00  1.5908400000e-01 -5.8288000000e-01
+ENERGY -1.526597103827e+02
+FORCES -1.1090900000e-02 -7.6115000000e-03 -7.3102000000e-03 -2.3870000000e-03  1.0589000000e-03 -1.4366000000e-03  5.7570000000e-03  3.8286000000e-03  4.5107000000e-03  5.1071000000e-03  3.1268000000e-03  2.7015000000e-03 -4.4620000000e-04  3.7821000000e-03  2.9547000000e-03  3.0601000000e-03 -4.1848000000e-03 -1.4201000000e-03
+
+JOB 4
+COORDS -2.6855300000e-01 -1.2342760000e+00 -2.1769400000e-01 -1.1096720000e+00 -1.6373990000e+00 -4.3273700000e-01  3.8137100000e-01 -1.8991860000e+00 -4.4512500000e-01  2.3175100000e-01  1.3460970000e+00  2.5356800000e-01  1.0976300000e-01  3.9675800000e-01  2.6388100000e-01  1.1590150000e+00  1.4666980000e+00  4.8947000000e-02
+ENERGY -1.526587036481e+02
+FORCES -1.5680000000e-04  6.5001000000e-03 -4.3790000000e-04  5.0879000000e-03 -4.6000000000e-06  4.9320000000e-04 -3.7373000000e-03  2.9261000000e-03  5.9640000000e-04 -1.2468000000e-03 -1.5006800000e-02 -3.6521000000e-03  2.3819000000e-03  7.2034000000e-03  2.6056000000e-03 -2.3288000000e-03 -1.6182000000e-03  3.9480000000e-04
+
+JOB 5
+COORDS -1.0211420000e+00 -2.1693800000e-01 -9.5099100000e-01 -1.6125550000e+00  4.2539700000e-01 -5.5873200000e-01 -2.0264600000e-01 -1.1793200000e-01 -4.6468500000e-01  9.5647800000e-01  2.0271100000e-01  8.7060100000e-01  1.1949920000e+00 -7.1452800000e-01  7.3637700000e-01  1.6325820000e+00  5.4324300000e-01  1.4563930000e+00
+ENERGY -1.526565498074e+02
+FORCES  6.3481000000e-03  7.3779000000e-03  1.0093600000e-02  3.2240000000e-04 -1.7684000000e-03 -2.0720000000e-03  8.7850000000e-04 -8.5289000000e-03 -1.6860000000e-03 -8.5780000000e-04 -5.2760000000e-04 -1.7520000000e-03 -3.5058000000e-03  6.6540000000e-03 -2.7217000000e-03 -3.1853000000e-03 -3.2070000000e-03 -1.8619000000e-03
+
+JOB 6
+COORDS -3.4551100000e-01  1.3354780000e+00  1.9197500000e-01  3.1642300000e-01  2.0257890000e+00  1.5265500000e-01  1.5621800000e-01  5.2794300000e-01  3.0327500000e-01  2.6798500000e-01 -1.3320220000e+00 -2.5761700000e-01 -4.0999600000e-01 -1.4074620000e+00  4.1386200000e-01  1.0703000000e+00 -1.1482600000e+00  2.3100800000e-01
+ENERGY -1.526515500998e+02
+FORCES  4.1213000000e-03 -8.5053000000e-03 -4.6329000000e-03 -1.2826000000e-03 -4.3649000000e-03 -4.5500000000e-05  1.1473000000e-03  2.6808000000e-03  7.5940000000e-03 -2.5474000000e-03  2.9090000000e-04  3.0749000000e-03  5.3192000000e-03  3.6946000000e-03 -3.4167000000e-03 -6.7578000000e-03  6.2038000000e-03 -2.5739000000e-03
+
+JOB 7
+COORDS  8.0070400000e-01 -1.0392440000e+00 -9.3181000000e-02  5.7639600000e-01 -1.7333860000e+00  5.2656500000e-01  1.7484260000e+00 -1.1141510000e+00 -2.0472700000e-01 -8.2980000000e-01  1.1408400000e+00  2.5955000000e-02 -1.6348240000e+00  9.2881500000e-01  4.9841000000e-01 -2.4863500000e-01  3.9985100000e-01  1.9746000000e-01
+ENERGY -1.526590438655e+02
+FORCES  9.6980000000e-04  2.0172000000e-03  8.1100000000e-05  6.8090000000e-04  4.8815000000e-03 -2.6496000000e-03 -4.9107000000e-03 -1.2157000000e-03  1.0317000000e-03  7.1411000000e-03 -1.1025700000e-02 -4.6530000000e-04  3.2409000000e-03 -1.0595000000e-03 -1.0379000000e-03 -7.1219000000e-03  6.4024000000e-03  3.0400000000e-03
+
+JOB 8
+COORDS -7.8656500000e-01 -1.0812490000e+00 -1.5948300000e-01 -9.4848100000e-01 -1.8107950000e+00 -7.5762800000e-01 -1.4207300000e-01 -1.4192200000e+00  4.6231900000e-01  8.1966100000e-01  1.1307480000e+00  1.3291600000e-01  3.2609000000e-02  5.8849100000e-01  8.0584000000e-02  5.6365800000e-01  1.8731270000e+00  6.8024300000e-01
+ENERGY -1.526599138322e+02
+FORCES  4.3110000000e-03 -1.1287000000e-03 -2.3461000000e-03  1.2616000000e-03  1.6840000000e-03  3.9496000000e-03 -4.0035000000e-03  3.4735000000e-03 -3.4303000000e-03 -7.7572000000e-03 -4.6692000000e-03 -2.5813000000e-03  6.6045000000e-03  4.2572000000e-03  6.0871000000e-03 -4.1640000000e-04 -3.6167000000e-03 -1.6790000000e-03
+
+JOB 9
+COORDS  1.7402800000e-01  1.3028450000e+00 -4.6220500000e-01 -2.4541500000e-01  2.1217790000e+00 -1.9829900000e-01 -1.1540200000e-01  6.6413400000e-01  1.8934000000e-01 -1.7815000000e-01 -1.2851580000e+00  3.9873100000e-01 -5.0002000000e-02 -2.1844510000e+00  9.6934000000e-02  6.5234300000e-01 -1.0502910000e+00  8.1267700000e-01
+ENERGY -1.526554737050e+02
+FORCES -4.8421000000e-03 -6.1824000000e-03  1.8912000000e-03  8.6730000000e-04 -4.1797000000e-03 -3.6110000000e-04  6.4529000000e-03  4.8931000000e-03  2.9451000000e-03  3.7106000000e-03 -5.7890000000e-04 -4.6485000000e-03  3.6710000000e-04  3.2775000000e-03  2.2015000000e-03 -6.5557000000e-03  2.7704000000e-03 -2.0281000000e-03
+
+JOB 10
+COORDS -1.2688900000e+00  4.1106900000e-01 -1.3282800000e-01 -1.4874730000e+00  1.3232950000e+00  5.7694000000e-02 -1.4068050000e+00  3.2318000000e-01 -1.0759540000e+00  1.2812080000e+00 -5.1705500000e-01  1.9374900000e-01  6.9246400000e-01  2.3674900000e-01  2.3106600000e-01  2.1125590000e+00 -1.5718200000e-01 -1.1540700000e-01
+ENERGY -1.526568942804e+02
+FORCES -9.0630000000e-04 -2.0264000000e-03 -4.7501000000e-03  4.4434000000e-03 -4.6409000000e-03 -8.2260000000e-04  3.2110000000e-04  1.8454000000e-03  4.8169000000e-03 -8.7081000000e-03  4.9019000000e-03 -4.7180000000e-04  9.5872000000e-03 -9.6700000000e-05  9.5660000000e-04 -4.7373000000e-03  1.6700000000e-05  2.7110000000e-04
+
+JOB 11
+COORDS -2.4501800000e-01  8.1629900000e-01  1.1285450000e+00  1.3582800000e-01  1.6714570000e+00  1.3282750000e+00  3.5033800000e-01  4.3296200000e-01  4.8446800000e-01  2.3613500000e-01 -8.5182200000e-01 -1.0459130000e+00 -5.1566900000e-01 -1.3784350000e+00 -1.3173920000e+00  2.9099400000e-01 -1.5616100000e-01 -1.7011060000e+00
+ENERGY -1.526576493902e+02
+FORCES  3.2658000000e-03 -5.7452000000e-03 -5.7481000000e-03 -6.8390000000e-04 -3.6325000000e-03 -3.0230000000e-03  3.2890000000e-04  8.4319000000e-03  4.4660000000e-03 -7.5169000000e-03  9.0000000000e-04  3.4300000000e-05  3.9893000000e-03  2.0096000000e-03 -8.4690000000e-04  6.1680000000e-04 -1.9639000000e-03  5.1177000000e-03
+
+JOB 12
+COORDS  4.1594000000e-01  1.2840640000e+00 -8.9508000000e-02  8.8758800000e-01  1.1392970000e+00 -9.0976500000e-01  2.5573500000e-01  2.2275190000e+00 -6.8083000000e-02 -4.8471500000e-01 -1.3653440000e+00  1.2788300000e-01  2.7482000000e-01 -1.3816420000e+00 -4.5441700000e-01 -2.7245700000e-01 -6.9812700000e-01  7.8056900000e-01
+ENERGY -1.526550213539e+02
+FORCES -9.5560000000e-04 -2.0600000000e-05 -4.3700000000e-03 -1.3061000000e-03 -2.5430000000e-04  3.9783000000e-03  3.9570000000e-04 -4.4953000000e-03 -4.1320000000e-04  5.2513000000e-03  1.1369300000e-02 -2.7790000000e-04 -1.8046000000e-03 -5.7170000000e-04  1.0750000000e-04 -1.5807000000e-03 -6.0274000000e-03  9.7540000000e-04
+
+JOB 13
+COORDS -3.3287200000e-01 -1.0899000000e+00 -8.1001100000e-01 -4.9382000000e-01 -1.9319350000e+00 -1.2358090000e+00 -3.2057500000e-01 -1.2924700000e+00  1.2542800000e-01  4.0837100000e-01  1.1343190000e+00  7.7879800000e-01  3.2594000000e-02  1.8247920000e+00  1.3249390000e+00 -3.2019400000e-01  8.3558200000e-01  2.3457300000e-01
+ENERGY -1.526578345451e+02
+FORCES  1.8385000000e-03 -3.9258000000e-03  1.9667000000e-03  1.3479000000e-03  2.9354000000e-03  2.6715000000e-03 -3.0545000000e-03  2.3090000000e-03 -5.4035000000e-03 -3.5495000000e-03  1.0236000000e-03 -4.1806000000e-03  9.7470000000e-04 -3.2641000000e-03 -2.5669000000e-03  2.4429000000e-03  9.2190000000e-04  7.5129000000e-03
+
+JOB 14
+COORDS -1.3212810000e+00 -3.1020400000e-01  5.9165800000e-01 -1.3408560000e+00 -5.8496200000e-01 -3.2505200000e-01 -5.9221500000e-01 -7.9917800000e-01  9.7323300000e-01  1.2368890000e+00  3.5535700000e-01 -6.1417500000e-01  2.1350200000e+00  2.6936000000e-02 -5.7255000000e-01  1.0593400000e+00  6.8110700000e-01  2.6820500000e-01
+ENERGY -1.526559162587e+02
+FORCES  6.4894000000e-03 -3.4047000000e-03 -7.1887000000e-03 -2.9679000000e-03  1.3700000000e-04  4.1828000000e-03 -1.6067000000e-03  3.4986000000e-03  1.0593000000e-03 -4.6200000000e-05  2.8821000000e-03  4.1063000000e-03 -4.9715000000e-03  4.2600000000e-04  8.3010000000e-04  3.1029000000e-03 -3.5390000000e-03 -2.9899000000e-03
+
+JOB 15
+COORDS  1.2308310000e+00  6.3327500000e-01  3.4723400000e-01  2.1588780000e+00  4.0525700000e-01  4.0171000000e-01  1.1615020000e+00  1.4688680000e+00  8.0898000000e-01 -1.3378640000e+00 -6.4591200000e-01 -4.1398400000e-01 -1.1564640000e+00 -4.8806100000e-01  5.1252000000e-01 -5.4714000000e-01 -1.0725820000e+00 -7.4404500000e-01
+ENERGY -1.526559152884e+02
+FORCES  2.1445000000e-03  4.1846000000e-03  1.0475000000e-03 -4.7510000000e-03  3.9080000000e-04 -7.6820000000e-04  4.5660000000e-04 -4.3028000000e-03 -1.3039000000e-03  1.0455300000e-02  2.4521000000e-03  3.3817000000e-03 -4.0848000000e-03 -1.0852000000e-03 -1.7132000000e-03 -4.2206000000e-03 -1.6395000000e-03 -6.4390000000e-04
+
+JOB 16
+COORDS -8.0291900000e-01  1.9649000000e-01  1.1947250000e+00 -6.9259400000e-01 -7.5293900000e-01  1.1432890000e+00 -7.8482900000e-01  3.8976400000e-01  2.1320340000e+00  8.5707600000e-01 -1.4612700000e-01 -1.2316690000e+00  5.2491000000e-01 -4.4142000000e-01 -2.0794310000e+00  7.1399000000e-02  4.6061000000e-02 -7.1980400000e-01
+ENERGY -1.526586142269e+02
+FORCES  2.4399000000e-03 -1.3605000000e-03  5.4193000000e-03 -9.1180000000e-04  5.5850000000e-03 -2.1299000000e-03 -6.4370000000e-04 -2.1028000000e-03 -3.3944000000e-03 -4.7529000000e-03  3.1506000000e-03  1.7304000000e-03  4.5490000000e-04  8.1210000000e-04  3.9610000000e-03  3.4136000000e-03 -6.0842000000e-03 -5.5865000000e-03
+
+JOB 17
+COORDS -9.6534900000e-01 -7.5187000000e-02 -1.0856640000e+00 -1.6152920000e+00 -5.4464000000e-01 -5.6276900000e-01 -1.0295220000e+00 -4.6709400000e-01 -1.9565960000e+00  9.5366400000e-01  9.0836000000e-02  1.1447130000e+00  7.6315500000e-01  1.7078000000e-01  2.1007500000e-01  1.8600190000e+00  3.8630800000e-01  1.2310220000e+00
+ENERGY -1.526606283288e+02
+FORCES -4.5843000000e-03 -3.9030000000e-03  1.8080000000e-04  2.4542000000e-03  1.9002000000e-03 -3.9751000000e-03  2.6280000000e-04  1.5395000000e-03  4.0249000000e-03 -1.1273000000e-03  1.2736000000e-03 -6.2029000000e-03  6.2579000000e-03  2.0970000000e-04  7.4826000000e-03 -3.2633000000e-03 -1.0200000000e-03 -1.5104000000e-03
+
+JOB 18
+COORDS  5.5603900000e-01  1.0262100000e-01 -1.3517770000e+00 -3.3707400000e-01  2.1393400000e-01 -1.6776460000e+00  9.0669300000e-01 -6.3007600000e-01 -1.8581650000e+00 -4.9599100000e-01 -1.8588000000e-02  1.3669510000e+00 -6.7688700000e-01 -4.6331000000e-02  2.3064930000e+00 -8.6881800000e-01 -8.3187200000e-01  1.0266560000e+00
+ENERGY -1.526512873424e+02
+FORCES -2.5408000000e-03 -4.4840000000e-04 -1.6973000000e-03  3.6545000000e-03 -1.5629000000e-03  1.2414000000e-03 -1.7719000000e-03  2.6596000000e-03  3.2429000000e-03 -7.8800000000e-04 -4.3170000000e-03 -1.1650000000e-04  1.6119000000e-03  3.7690000000e-04 -4.6303000000e-03 -1.6570000000e-04  3.2919000000e-03  1.9598000000e-03
+
+JOB 19
+COORDS -9.2373800000e-01  1.2072780000e+00 -1.3262000000e-01 -3.4458300000e-01  4.4648100000e-01 -1.7734400000e-01 -1.7832950000e+00  8.6968700000e-01 -3.8446300000e-01  9.6358700000e-01 -1.0891800000e+00  1.4167100000e-01  6.7411800000e-01 -1.6461440000e+00 -5.8098400000e-01  8.5562200000e-01 -1.6330160000e+00  9.2193900000e-01
+ENERGY -1.526599458920e+02
+FORCES  4.0083000000e-03 -7.5280000000e-03  7.0380000000e-04 -7.8899000000e-03  6.6149000000e-03 -3.4826000000e-03  3.2928000000e-03  1.5030000000e-04  7.4000000000e-04  7.4290000000e-04 -5.6039000000e-03  2.7083000000e-03 -6.5690000000e-04  4.5343000000e-03  3.9435000000e-03  5.0290000000e-04  1.8325000000e-03 -4.6129000000e-03
+
+JOB 20
+COORDS  3.8425800000e-01 -1.3829600000e+00 -1.2156900000e-01 -4.5377200000e-01 -1.8383150000e+00 -2.0274200000e-01  9.7161100000e-01 -2.0292870000e+00  2.7023400000e-01 -3.9817600000e-01  1.4761790000e+00  4.7000000000e-02 -3.8008300000e-01  5.5784200000e-01  3.1637300000e-01  1.0192200000e-01  1.9343070000e+00  7.2246400000e-01
+ENERGY -1.526583484435e+02
+FORCES  1.1408000000e-03 -5.1291000000e-03 -4.0760000000e-04  3.9095000000e-03  3.8618000000e-03  1.7410000000e-03 -3.0355000000e-03  2.6419000000e-03 -2.1338000000e-03  5.0813000000e-03 -6.8890000000e-03  2.3620000000e-03 -5.5344000000e-03  6.9741000000e-03  5.6480000000e-04 -1.5617000000e-03 -1.4597000000e-03 -2.1264000000e-03
+
+JOB 21
+COORDS -1.4339000000e-02 -1.2758210000e+00  8.2157000000e-01 -8.1952800000e-01 -1.7443200000e+00  6.0154500000e-01  4.3558100000e-01 -1.1653760000e+00 -1.6049000000e-02  7.9260000000e-03  1.3328740000e+00 -7.9846600000e-01  6.8174000000e-01  6.7376200000e-01 -9.6513100000e-01 -9.6851000000e-02  1.3336960000e+00  1.5298200000e-01
+ENERGY -1.526534011476e+02
+FORCES -3.7177000000e-03 -1.4184000000e-03 -6.1159000000e-03  3.7761000000e-03  1.6471000000e-03  1.4573000000e-03  5.4200000000e-04  2.9707000000e-03  2.4875000000e-03  1.5991000000e-03 -4.1517000000e-03  6.9652000000e-03 -2.8246000000e-03 -1.6099000000e-03  3.2930000000e-04  6.2520000000e-04  2.5623000000e-03 -5.1233000000e-03
+
+JOB 22
+COORDS  3.5106500000e-01 -1.4836170000e+00  2.3431800000e-01  2.4126500000e-01 -5.3300000000e-01  2.1187700000e-01  1.2727130000e+00 -1.6239360000e+00  1.7275000000e-02 -3.5404800000e-01  1.3791550000e+00 -2.0842100000e-01 -1.2530470000e+00  1.4882200000e+00  1.0164000000e-01 -1.7321600000e-01  2.1768760000e+00 -7.0558600000e-01
+ENERGY -1.526609303362e+02
+FORCES  1.8462000000e-03  8.1203000000e-03 -2.3476000000e-03  5.4960000000e-04 -8.9574000000e-03  2.9650000000e-03 -2.7310000000e-03  4.7380000000e-04  5.2510000000e-04 -2.2782000000e-03  3.2321000000e-03 -2.0042000000e-03  4.6013000000e-03 -1.2590000000e-04 -1.5993000000e-03 -1.9879000000e-03 -2.7428000000e-03  2.4611000000e-03
+
+JOB 23
+COORDS -9.3849900000e-01  7.4021900000e-01  8.5893400000e-01 -1.5293130000e+00  1.1485310000e+00  1.4917460000e+00 -4.4431900000e-01  1.4703480000e+00  4.8620300000e-01  9.1522100000e-01 -8.4430200000e-01 -9.0484900000e-01  1.2717490000e+00 -8.6940000000e-03 -1.2063100000e+00  1.0658960000e+00 -8.4247700000e-01  4.0416000000e-02
+ENERGY -1.526531477033e+02
+FORCES -1.3139000000e-03  4.6672000000e-03 -8.0580000000e-04  2.7694000000e-03 -2.2660000000e-03 -3.2275000000e-03 -6.3290000000e-04 -3.3162000000e-03  2.0880000000e-03 -1.5553000000e-03  3.7542000000e-03  5.3657000000e-03 -1.7509000000e-03 -2.2143000000e-03  1.3778000000e-03  2.4836000000e-03 -6.2490000000e-04 -4.7983000000e-03
+
+JOB 24
+COORDS  2.2712900000e-01 -7.7790000000e-01 -1.3202130000e+00  2.3256400000e-01 -5.7835900000e-01 -3.8405800000e-01  7.9434600000e-01 -1.5441990000e+00 -1.4055510000e+00 -2.6511500000e-01  8.1129700000e-01  1.2031790000e+00  4.2461100000e-01  1.1747590000e+00  1.7585200000e+00 -8.9607300000e-01  4.3710000000e-01  1.8180780000e+00
+ENERGY -1.526597182425e+02
+FORCES  6.8870000000e-04  1.7438000000e-03  6.2769000000e-03  1.6709000000e-03 -6.7134000000e-03 -7.6431000000e-03 -1.8746000000e-03  2.9837000000e-03  1.2828000000e-03 -8.7740000000e-04  3.1245000000e-03  5.4648000000e-03 -3.4445000000e-03 -2.3361000000e-03 -2.3421000000e-03  3.8369000000e-03  1.1974000000e-03 -3.0392000000e-03
+
+JOB 25
+COORDS -1.1979210000e+00 -1.2190100000e-01  9.0126300000e-01 -1.7460870000e+00 -8.3017700000e-01  1.2390360000e+00 -4.5396900000e-01 -8.6608000000e-02  1.5025300000e+00  1.2412770000e+00  1.6822200000e-01 -9.1661200000e-01  1.1940340000e+00 -3.4581200000e-01 -1.7226950000e+00  3.5252300000e-01  5.0103500000e-01 -7.9177800000e-01
+ENERGY -1.526588285445e+02
+FORCES  1.9415000000e-03 -4.2117000000e-03  3.9465000000e-03  2.5022000000e-03  2.7198000000e-03 -8.3760000000e-04 -4.5428000000e-03  6.1580000000e-04 -2.4355000000e-03 -7.2449000000e-03 -1.8191000000e-03 -1.4659000000e-03  3.7810000000e-04  1.7942000000e-03  2.6141000000e-03  6.9658000000e-03  9.0100000000e-04 -1.8217000000e-03
+
+JOB 26
+COORDS -8.7901400000e-01 -2.1692600000e-01 -1.3268310000e+00 -1.0365910000e+00 -9.8767000000e-02 -3.9011400000e-01 -3.4562000000e-02 -6.6520800000e-01 -1.3734640000e+00  8.0609500000e-01  1.8034500000e-01  1.2419850000e+00  1.7200650000e+00  4.4125600000e-01  1.3551920000e+00  3.0171200000e-01  9.1666200000e-01  1.5879150000e+00
+ENERGY -1.526570542094e+02
+FORCES  6.8174000000e-03 -1.4463000000e-03  7.4860000000e-03 -3.6358000000e-03  1.2494000000e-03 -3.1100000000e-03 -3.1176000000e-03  5.5100000000e-04 -3.0486000000e-03  2.8018000000e-03  4.8794000000e-03  1.3278000000e-03 -3.9662000000e-03 -1.1243000000e-03 -3.6000000000e-04  1.1005000000e-03 -4.1091000000e-03 -2.2952000000e-03
+
+JOB 27
+COORDS  6.5939000000e-02 -6.9948900000e-01  1.4478150000e+00  1.6377700000e-01 -1.2361080000e+00  6.6124000000e-01 -6.1954900000e-01 -6.9680000000e-02  1.2249270000e+00 -6.4081000000e-02  6.5742700000e-01 -1.3543470000e+00  7.8416200000e-01  1.0931670000e+00 -1.2716050000e+00 -3.6469100000e-01  8.8261600000e-01 -2.2347760000e+00
+ENERGY -1.526586803548e+02
+FORCES -3.4300000000e-03  1.8606000000e-03 -8.1474000000e-03  8.4200000000e-04 -3.0300000000e-04  4.7252000000e-03  1.9327000000e-03 -2.2825000000e-03  4.0852000000e-03  3.2308000000e-03  3.5232000000e-03 -3.2970000000e-03 -4.1304000000e-03 -1.8073000000e-03 -1.3908000000e-03  1.5550000000e-03 -9.9110000000e-04  4.0249000000e-03
+
+JOB 28
+COORDS  1.3166150000e+00 -8.7447800000e-01  1.8970700000e-01  1.0345460000e+00 -1.7116720000e+00  5.5818400000e-01  6.5383500000e-01 -2.4844100000e-01  4.8131300000e-01 -1.2214460000e+00  8.4609500000e-01 -2.3920700000e-01 -1.1478010000e+00  1.6541360000e+00  2.6861100000e-01 -2.1502740000e+00  7.8701600000e-01 -4.6285800000e-01
+ENERGY -1.526574675519e+02
+FORCES -7.8728000000e-03  9.5160000000e-04  4.9630000000e-04  1.2618000000e-03  2.5702000000e-03 -1.2352000000e-03  7.1085000000e-03 -2.1054000000e-03  2.6323000000e-03 -5.2027000000e-03  2.5722000000e-03 -1.5210000000e-03  7.4250000000e-04 -5.0542000000e-03 -1.5109000000e-03  3.9626000000e-03  1.0657000000e-03  1.1386000000e-03
+
+JOB 29
+COORDS  1.1097960000e+00  4.5327900000e-01 -9.9601000000e-01  3.8123100000e-01  9.4855200000e-01 -6.2167200000e-01  1.1094370000e+00  6.8994600000e-01 -1.9234910000e+00 -1.0926520000e+00 -4.7411500000e-01  9.7694300000e-01 -1.1875470000e+00 -9.7865000000e-02  1.8519650000e+00 -5.4925200000e-01 -1.2512280000e+00  1.1074990000e+00
+ENERGY -1.526576510082e+02
+FORCES -5.5564000000e-03  2.0780000000e-03 -9.8200000000e-05  5.7555000000e-03  1.1723000000e-03 -3.6550000000e-03 -4.3760000000e-04 -9.9500000000e-04  3.6244000000e-03  3.1168000000e-03 -4.3595000000e-03  3.3522000000e-03  8.7620000000e-04 -8.0620000000e-04 -4.2016000000e-03 -3.7544000000e-03  2.9105000000e-03  9.7820000000e-04
+
+JOB 30
+COORDS  1.4561840000e+00 -6.5030000000e-01  5.9123000000e-02  1.9675730000e+00 -5.1900900000e-01  8.5754300000e-01  5.9400900000e-01 -2.8856800000e-01  2.6415200000e-01 -1.4402020000e+00  5.5378300000e-01 -1.1345100000e-01 -1.3593150000e+00  1.1136270000e+00 -8.8563200000e-01 -1.4456450000e+00  1.1627860000e+00  6.2500500000e-01
+ENERGY -1.526595723164e+02
+FORCES -5.5202000000e-03  1.8280000000e-03  2.4557000000e-03 -2.6229000000e-03  2.1460000000e-04 -2.5974000000e-03  9.8680000000e-03 -1.8243000000e-03  1.7897000000e-03 -3.3119000000e-03  6.0202000000e-03 -2.8129000000e-03 -5.8250000000e-04 -2.3737000000e-03  4.4348000000e-03  2.1695000000e-03 -3.8648000000e-03 -3.2699000000e-03
+
+JOB 31
+COORDS  4.4403500000e-01 -2.5713500000e-01 -1.5152220000e+00  7.7951400000e-01 -5.9356200000e-01 -6.8425700000e-01 -1.8785700000e-01 -9.1590100000e-01 -1.8032680000e+00 -4.3448900000e-01  2.5371600000e-01  1.5180290000e+00 -3.0060700000e-01  1.1310210000e+00  1.8766970000e+00 -4.4741500000e-01  3.8163100000e-01  5.6950300000e-01
+ENERGY -1.526586335442e+02
+FORCES  1.4693000000e-03 -6.7808000000e-03 -3.8530000000e-04 -4.9635000000e-03  4.6608000000e-03 -3.5199000000e-03  2.5984000000e-03  3.6350000000e-03  1.9008000000e-03 -6.9700000000e-04  5.7241000000e-03 -3.3411000000e-03 -5.8560000000e-04 -3.4932000000e-03 -1.4824000000e-03  2.1785000000e-03 -3.7460000000e-03  6.8279000000e-03
+
+JOB 32
+COORDS -1.2119700000e-01 -1.3047660000e+00 -1.0351020000e+00 -9.3529900000e-01 -8.3218400000e-01 -1.2087000000e+00  4.2482700000e-01 -6.7658100000e-01 -5.6237200000e-01  1.1794000000e-01  1.1904880000e+00  1.0471720000e+00  9.9367100000e-01  1.5733040000e+00  9.9446200000e-01 -4.3222000000e-01  1.7775680000e+00  5.2862300000e-01
+ENERGY -1.526570666534e+02
+FORCES -1.5243000000e-03  6.4820000000e-03  5.2272000000e-03  2.3100000000e-03 -1.6868000000e-03 -6.9950000000e-04  4.0130000000e-04 -4.3583000000e-03 -5.6677000000e-03  3.2560000000e-04  6.4275000000e-03  5.7460000000e-04 -4.1632000000e-03 -3.0311000000e-03 -8.9370000000e-04  2.6507000000e-03 -3.8332000000e-03  1.4591000000e-03
+
+JOB 33
+COORDS  1.6637300000e-01 -6.7578100000e-01  1.4536870000e+00  6.0381000000e-02 -8.9830400000e-01  5.2876400000e-01 -7.8846000000e-02 -1.4736990000e+00  1.9221170000e+00 -1.7203000000e-01  6.6754300000e-01 -1.4256110000e+00  7.2923300000e-01  9.3246200000e-01 -1.2418320000e+00 -6.0607300000e-01  1.4727100000e+00 -1.7076500000e+00
+ENERGY -1.526579428093e+02
+FORCES -2.8244000000e-03 -2.8270000000e-03 -3.7344000000e-03  3.2372000000e-03 -1.5974000000e-03  6.4312000000e-03  6.0990000000e-04  3.0667000000e-03 -2.0881000000e-03  7.1390000000e-04  6.5415000000e-03  1.5560000000e-04 -4.0860000000e-03 -2.2307000000e-03 -1.1568000000e-03  2.3494000000e-03 -2.9531000000e-03  3.9250000000e-04
+
+JOB 34
+COORDS -1.5505830000e+00  2.3456400000e-01 -9.1630000000e-03 -2.1293550000e+00 -2.9850900000e-01 -5.5422100000e-01 -1.8194800000e+00  1.1363930000e+00 -1.8418100000e-01  1.6438960000e+00 -2.1278200000e-01  5.6622000000e-02  1.3164030000e+00 -8.2873000000e-01  7.1205200000e-01  1.1070680000e+00 -3.7895600000e-01 -7.1825500000e-01
+ENERGY -1.526558286334e+02
+FORCES -3.8726000000e-03  3.7270000000e-03 -1.5746000000e-03  3.8388000000e-03  1.8566000000e-03  2.0344000000e-03  5.1780000000e-04 -4.3002000000e-03  3.7240000000e-04 -8.4711000000e-03 -1.9818000000e-03  3.4140000000e-04  3.2687000000e-03  1.1247000000e-03 -2.0125000000e-03  4.7184000000e-03 -4.2640000000e-04  8.3890000000e-04
+
+JOB 35
+COORDS -1.0561290000e+00 -8.1225000000e-01 -8.4677300000e-01 -1.5418800000e+00 -6.9988400000e-01 -1.6638730000e+00 -3.2732600000e-01 -1.3880740000e+00 -1.0780830000e+00  1.0110200000e+00  8.1103800000e-01  9.6603600000e-01  6.4340900000e-01  1.2811820000e+00  2.1766600000e-01  1.9513980000e+00  7.7818000000e-01  7.9042000000e-01
+ENERGY -1.526542305606e+02
+FORCES  1.6078000000e-03 -4.0420000000e-03 -2.6643000000e-03  2.6359000000e-03  5.4510000000e-04  3.8237000000e-03 -3.4515000000e-03  2.4449000000e-03 -3.1380000000e-04 -6.2230000000e-04  1.6553000000e-03 -4.6453000000e-03  3.7937000000e-03  1.6290000000e-04  3.5731000000e-03 -3.9637000000e-03 -7.6630000000e-04  2.2660000000e-04
+
+JOB 36
+COORDS  7.1455400000e-01 -1.3908850000e+00  9.6771000000e-02  8.1641500000e-01 -2.0045170000e+00  8.2431000000e-01  5.9808600000e-01 -1.9481750000e+00 -6.7270500000e-01 -7.3876900000e-01  1.5048710000e+00 -1.4129200000e-01 -1.2115760000e+00  1.1506850000e+00  6.1186000000e-01  1.1261700000e-01  1.0680700000e+00 -1.1723800000e-01
+ENERGY -1.526585029112e+02
+FORCES -3.0530000000e-04 -5.7961000000e-03 -1.0040000000e-03 -8.7880000000e-04  2.5748000000e-03 -3.2087000000e-03  9.5970000000e-04  1.8840000000e-03  3.8027000000e-03  2.9582000000e-03 -7.1000000000e-03  3.4133000000e-03  4.5020000000e-04  2.5650000000e-03 -2.0797000000e-03 -3.1840000000e-03  5.8723000000e-03 -9.2360000000e-04
+
+JOB 37
+COORDS  1.0239880000e+00  9.5966100000e-01  7.6587100000e-01  9.3680700000e-01  1.8708000000e+00  1.0459720000e+00  6.6299000000e-01  4.5000700000e-01  1.4912420000e+00 -1.0055030000e+00 -9.4641400000e-01 -8.8811500000e-01 -1.8064400000e-01 -1.0525290000e+00 -4.1421800000e-01 -1.6502370000e+00 -1.4112080000e+00 -3.5471500000e-01
+ENERGY -1.526539884217e+02
+FORCES -3.2408000000e-03  4.0539000000e-03  3.2359000000e-03  7.7440000000e-04 -3.8339000000e-03 -4.6310000000e-04  1.5552000000e-03  2.0970000000e-04 -4.1275000000e-03  2.8705000000e-03 -1.9250000000e-04  3.4697000000e-03 -4.7991000000e-03 -2.6665000000e-03 -7.2640000000e-04  2.8398000000e-03  2.4293000000e-03 -1.3886000000e-03
+
+JOB 38
+COORDS  3.5513500000e-01 -1.3676040000e+00 -7.3141000000e-01 -1.5093000000e-02 -1.8955460000e+00 -1.4388280000e+00  2.5591200000e-01 -1.9106850000e+00  5.0542000000e-02 -3.6558800000e-01  1.4797970000e+00  7.1566000000e-01 -4.7097200000e-01  7.0463400000e-01  1.2672470000e+00  5.0315200000e-01  1.3808570000e+00  3.2613200000e-01
+ENERGY -1.526549240728e+02
+FORCES -3.0447000000e-03 -4.4973000000e-03 -1.2722000000e-03  1.7984000000e-03  1.8407000000e-03  3.2001000000e-03  3.3160000000e-04  3.5220000000e-03 -2.4249000000e-03  3.6578000000e-03 -6.7494000000e-03 -2.5563000000e-03 -6.0400000000e-05  2.9922000000e-03  2.7100000000e-05 -2.6826000000e-03  2.8917000000e-03  3.0263000000e-03
+
+JOB 39
+COORDS  8.7148200000e-01 -4.6295000000e-01  1.4040330000e+00  9.3037500000e-01 -2.4101500000e-01  4.7478200000e-01  1.4570400000e-01 -1.0848040000e+00  1.4567220000e+00 -7.9291400000e-01  4.4373500000e-01 -1.3912290000e+00 -6.4902000000e-01  1.3520810000e+00 -1.1258370000e+00 -1.6039770000e+00  1.9053700000e-01 -9.5043500000e-01
+ENERGY -1.526578015898e+02
+FORCES -3.2470000000e-03 -2.1027000000e-03 -6.2986000000e-03  2.0187000000e-03 -8.5500000000e-05  6.4179000000e-03  2.0945000000e-03  2.3415000000e-03  8.0340000000e-04 -5.0694000000e-03  4.1730000000e-03  1.6995000000e-03  1.6120000000e-04 -4.7928000000e-03 -1.0223000000e-03  4.0420000000e-03  4.6650000000e-04 -1.5999000000e-03
+
+JOB 40
+COORDS  6.8751300000e-01 -5.9485100000e-01 -1.4434750000e+00 -1.5662800000e-01 -6.0323500000e-01 -9.9226700000e-01  6.9162200000e-01 -1.4007960000e+00 -1.9598740000e+00 -5.7764200000e-01  6.0841800000e-01  1.4457630000e+00 -7.8862600000e-01  1.4201930000e+00  1.9069990000e+00 -1.4017740000e+00  3.4323900000e-01  1.0374510000e+00
+ENERGY -1.526528866753e+02
+FORCES -2.9838000000e-03 -2.6432000000e-03  1.6127000000e-03  1.2546000000e-03 -8.8800000000e-04 -3.5353000000e-03 -6.1700000000e-05  3.4305000000e-03  2.3305000000e-03 -3.7316000000e-03  4.0463000000e-03  1.6426000000e-03  7.9030000000e-04 -3.7637000000e-03 -1.6212000000e-03  4.7324000000e-03 -1.8190000000e-04 -4.2940000000e-04
+
+JOB 41
+COORDS -3.3056500000e-01  1.0277540000e+00  1.3928250000e+00 -1.0537810000e+00  1.4329350000e+00  9.1426600000e-01  2.5980900000e-01  7.0850700000e-01  7.1034900000e-01  3.2035100000e-01 -1.0942930000e+00 -1.3172090000e+00  1.1629810000e+00 -6.6951500000e-01 -1.1566790000e+00 -2.3430400000e-01 -4.0021700000e-01 -1.6733670000e+00
+ENERGY -1.526529788708e+02
+FORCES -1.3171000000e-03 -1.9982000000e-03 -4.9454000000e-03  3.1438000000e-03 -1.3490000000e-03  1.5143000000e-03 -6.2420000000e-04  3.7283000000e-03  2.1565000000e-03  1.1783000000e-03  2.4080000000e-03 -3.0223000000e-03 -5.1387000000e-03 -5.1370000000e-04  1.2533000000e-03  2.7579000000e-03 -2.2753000000e-03  3.0435000000e-03
+
+JOB 42
+COORDS -2.4504500000e-01 -1.5906420000e+00 -4.0142700000e-01  2.3262500000e-01 -1.5213870000e+00 -1.2280260000e+00 -5.4801300000e-01 -2.4982350000e+00 -3.7464000000e-01  2.2166500000e-01  1.6789970000e+00  4.9194000000e-01  8.5595600000e-01  9.6270200000e-01  5.2070800000e-01 -1.2748300000e-01  1.6547400000e+00 -3.9898000000e-01
+ENERGY -1.526550627276e+02
+FORCES -6.3900000000e-04 -5.2492000000e-03 -2.7953000000e-03 -1.6941000000e-03  1.1458000000e-03  4.0705000000e-03  1.3984000000e-03  3.9661000000e-03 -4.2960000000e-04 -4.9060000000e-04 -6.1721000000e-03 -2.9891000000e-03 -5.9060000000e-04  4.9195000000e-03 -4.7850000000e-04  2.0158000000e-03  1.3900000000e-03  2.6220000000e-03
+
+JOB 43
+COORDS -9.4928700000e-01 -1.4558850000e+00 -3.7960000000e-02 -1.6502650000e+00 -1.4590410000e+00  6.1384600000e-01 -9.8119700000e-01 -5.7901300000e-01 -4.2046300000e-01  9.4565600000e-01  1.4114580000e+00 -2.7299000000e-02  1.6314030000e+00  2.0391730000e+00  2.0064300000e-01  1.0689390000e+00  6.8776900000e-01  5.8695400000e-01
+ENERGY -1.526581158825e+02
+FORCES -4.2177000000e-03  3.6965000000e-03 -7.3710000000e-04  3.1851000000e-03  5.2000000000e-05 -2.3291000000e-03 -1.1140000000e-04 -5.5687000000e-03  3.0231000000e-03  4.6729000000e-03 -1.9100000000e-04  3.2949000000e-03 -2.5692000000e-03 -2.8172000000e-03 -4.6450000000e-04 -9.5970000000e-04  4.8284000000e-03 -2.7873000000e-03
+
+JOB 44
+COORDS  4.5437100000e-01  1.1899150000e+00  1.2013380000e+00  2.1238200000e-01  3.6716700000e-01  7.7618100000e-01  8.8102200000e-01  9.2290000000e-01  2.0155260000e+00 -4.5760700000e-01 -1.0656310000e+00 -1.1820870000e+00  7.7549000000e-02 -1.8591990000e+00 -1.1915380000e+00 -1.1298130000e+00 -1.2215720000e+00 -1.8454520000e+00
+ENERGY -1.526582072371e+02
+FORCES -6.0460000000e-04 -5.0599000000e-03 -7.8970000000e-04  3.1324000000e-03  4.7855000000e-03  6.0019000000e-03 -1.4611000000e-03  6.3470000000e-04 -3.1693000000e-03 -2.0107000000e-03 -3.6916000000e-03 -5.2782000000e-03 -2.3664000000e-03  3.6266000000e-03  7.9810000000e-04  3.3105000000e-03 -2.9530000000e-04  2.4373000000e-03
+
+JOB 45
+COORDS  7.6314200000e-01 -1.2787370000e+00 -8.2846500000e-01  1.3421370000e+00 -7.6464300000e-01 -1.3912290000e+00  5.5704500000e-01 -2.0582160000e+00 -1.3443810000e+00 -8.2373400000e-01  1.3454080000e+00  8.9035200000e-01 -4.9831200000e-01  8.6370900000e-01  1.2989300000e-01 -4.6975500000e-01  8.7243800000e-01  1.6434990000e+00
+ENERGY -1.526582644303e+02
+FORCES  2.2037000000e-03 -3.8459000000e-03 -5.1850000000e-03 -3.5366000000e-03 -1.5502000000e-03  2.8595000000e-03  1.5260000000e-03  3.4178000000e-03  2.0144000000e-03  3.2082000000e-03 -6.5441000000e-03 -6.7270000000e-04 -1.7881000000e-03  5.7489000000e-03  2.7730000000e-03 -1.6132000000e-03  2.7736000000e-03 -1.7893000000e-03
+
+JOB 46
+COORDS  1.6674490000e+00  3.1464500000e-01  4.0315900000e-01  2.4767580000e+00  5.1400900000e-01 -6.7483000000e-02  1.1352960000e+00  1.1049230000e+00  3.1092900000e-01 -1.7029560000e+00 -3.9634200000e-01 -4.2801000000e-01 -1.1165610000e+00  3.3141900000e-01 -2.2128400000e-01 -2.0165080000e+00 -7.0120500000e-01  4.2344500000e-01
+ENERGY -1.526527675607e+02
+FORCES  3.0458000000e-03  3.6868000000e-03 -3.0955000000e-03 -3.4180000000e-03 -8.0250000000e-04  2.3825000000e-03 -5.4760000000e-04 -4.3575000000e-03  2.2890000000e-04  3.0620000000e-03  1.8100000000e-04  4.9770000000e-03 -2.6850000000e-03 -2.0580000000e-04 -8.6630000000e-04  5.4290000000e-04  1.4980000000e-03 -3.6265000000e-03
+
+JOB 47
+COORDS -1.3338440000e+00  8.3628100000e-01 -7.6883600000e-01 -2.1622500000e+00  5.1062600000e-01 -4.1680700000e-01 -1.1000010000e+00  1.5663870000e+00 -1.9569200000e-01  1.3685610000e+00 -8.1076100000e-01  7.6918900000e-01  8.4058400000e-01 -8.4155600000e-01 -2.8636000000e-02  1.9501930000e+00 -1.5679570000e+00  7.0143700000e-01
+ENERGY -1.526580477687e+02
+FORCES -3.4140000000e-03  3.2442000000e-03  4.4148000000e-03  3.4907000000e-03  1.2568000000e-03 -1.6845000000e-03 -1.5875000000e-03 -3.0406000000e-03 -2.9629000000e-03 -8.0250000000e-04 -2.3553000000e-03 -4.4062000000e-03  4.7895000000e-03 -1.9121000000e-03  4.5416000000e-03 -2.4763000000e-03  2.8070000000e-03  9.7100000000e-05
+
+JOB 48
+COORDS -7.7085000000e-01 -4.5918400000e-01 -1.6603150000e+00 -3.8116000000e-02  1.1469800000e-01 -1.8839050000e+00 -4.5014000000e-01 -9.8288200000e-01 -9.2606800000e-01  6.8943200000e-01  5.0177800000e-01  1.5935290000e+00  9.4266500000e-01 -3.9715200000e-01  1.3836990000e+00  8.2529100000e-01  5.7508800000e-01  2.5381980000e+00
+ENERGY -1.526535157696e+02
+FORCES  4.0570000000e-03  2.0291000000e-03  3.3483000000e-03 -2.8559000000e-03 -3.1429000000e-03 -5.5500000000e-05 -4.1940000000e-04  6.4500000000e-04 -2.9237000000e-03  1.5469000000e-03 -2.6897000000e-03  4.7043000000e-03 -1.8192000000e-03  3.4847000000e-03 -9.1470000000e-04 -5.0940000000e-04 -3.2630000000e-04 -4.1586000000e-03
+
+JOB 49
+COORDS  8.3035600000e-01 -8.9922100000e-01 -1.3301740000e+00  1.3085580000e+00 -1.6752840000e+00 -1.6222050000e+00  1.4682760000e+00 -4.0321700000e-01 -8.1707600000e-01 -8.7388600000e-01  8.5856200000e-01  1.3365090000e+00 -1.4131720000e+00  1.0849910000e+00  5.7879400000e-01 -6.7286700000e-01  1.6991890000e+00  1.7478120000e+00
+ENERGY -1.526549858919e+02
+FORCES  4.3423000000e-03 -1.1016000000e-03  2.4961000000e-03 -1.8834000000e-03  3.1208000000e-03  1.1645000000e-03 -1.5216000000e-03 -2.0701000000e-03 -3.6380000000e-03 -2.6593000000e-03  3.5964000000e-03 -2.2363000000e-03  1.9417000000e-03  7.7200000000e-05  4.0687000000e-03 -2.1960000000e-04 -3.6226000000e-03 -1.8549000000e-03
+
+JOB 50
+COORDS  4.7130600000e-01  8.7776600000e-01 -1.5809680000e+00  5.0219600000e-01  3.8253000000e-01 -2.3995140000e+00 -4.8641000000e-02  3.3283600000e-01 -9.9025700000e-01 -3.8415600000e-01 -8.0542600000e-01  1.5778890000e+00 -8.2704700000e-01 -1.6538980000e+00  1.5911350000e+00 -1.0377150000e+00 -1.8839700000e-01  1.9070800000e+00
+ENERGY -1.526568403199e+02
+FORCES -1.3846000000e-03 -5.0961000000e-03  1.0287000000e-03 -2.4370000000e-04  1.8178000000e-03  3.0283000000e-03  1.0704000000e-03  3.9034000000e-03 -5.6843000000e-03 -4.0854000000e-03 -1.6599000000e-03  4.7104000000e-03  1.8693000000e-03  3.9789000000e-03 -6.6210000000e-04  2.7739000000e-03 -2.9440000000e-03 -2.4211000000e-03
+
+JOB 51
+COORDS  1.4862430000e+00 -7.5501600000e-01 -8.7355200000e-01  2.3753890000e+00 -9.3433100000e-01 -5.6777800000e-01  1.1495680000e+00 -1.0026700000e-01 -2.6184500000e-01 -1.5253600000e+00  7.3591800000e-01  7.5872100000e-01 -2.1556910000e+00  4.5672200000e-01  1.4227710000e+00 -7.1148800000e-01  8.7381300000e-01  1.2433120000e+00
+ENERGY -1.526528396209e+02
+FORCES  1.2469000000e-03  2.0856000000e-03  3.0576000000e-03 -3.9518000000e-03  7.6180000000e-04 -1.0487000000e-03  2.7769000000e-03 -2.1587000000e-03 -9.5220000000e-04 -1.1086000000e-03 -1.0791000000e-03  5.4412000000e-03  2.6134000000e-03  1.6094000000e-03 -2.8128000000e-03 -1.5767000000e-03 -1.2191000000e-03 -3.6850000000e-03
+
+JOB 52
+COORDS -1.1517200000e+00  7.9023400000e-01  1.2988390000e+00 -3.3946500000e-01  8.7196000000e-01  1.7986340000e+00 -1.2240710000e+00 -1.4531700000e-01  1.1097840000e+00  1.1592470000e+00 -7.0280900000e-01 -1.3318220000e+00  7.8124700000e-01 -8.4821000000e-01 -4.6452400000e-01  6.9370100000e-01 -1.3145520000e+00 -1.9021450000e+00
+ENERGY -1.526524553822e+02
+FORCES  2.2918000000e-03 -2.1025000000e-03  1.8926000000e-03 -3.5612000000e-03 -1.1766000000e-03 -2.5736000000e-03  1.8112000000e-03  3.4565000000e-03 -1.1670000000e-04 -3.9283000000e-03 -2.1406000000e-03  6.0380000000e-04  1.4481000000e-03 -4.7350000000e-04 -2.4934000000e-03  1.9383000000e-03  2.4366000000e-03  2.6873000000e-03
+
+JOB 53
+COORDS  1.1714050000e+00  1.5170270000e+00  2.5828000000e-01  5.6166700000e-01  1.9409260000e+00  8.6223500000e-01  6.5980600000e-01  1.3736220000e+00 -5.3791900000e-01 -1.0855710000e+00 -1.4771670000e+00 -2.7641100000e-01 -6.0352900000e-01 -2.0878710000e+00  2.8118000000e-01 -1.9637740000e+00 -1.8525440000e+00 -3.4030900000e-01
+ENERGY -1.526558809279e+02
+FORCES -5.8975000000e-03 -3.7460000000e-04 -1.2653000000e-03  2.7515000000e-03 -1.0340000000e-03 -1.9773000000e-03  3.1435000000e-03  2.3854000000e-03  2.8715000000e-03 -8.8300000000e-04 -4.7948000000e-03  2.4894000000e-03 -2.7335000000e-03  2.0266000000e-03 -2.4675000000e-03  3.6189000000e-03  1.7915000000e-03  3.4930000000e-04
+
+JOB 54
+COORDS -1.8460320000e+00  5.0871600000e-01  5.0584000000e-02 -2.4338420000e+00  1.0909120000e+00 -4.3083000000e-01 -2.1329010000e+00 -3.7276900000e-01 -1.8799700000e-01  1.9257970000e+00 -4.5043900000e-01  3.6638000000e-02  1.6852850000e+00 -1.3723930000e+00  1.2821200000e-01  1.6713130000e+00 -2.2373300000e-01 -8.5783100000e-01
+ENERGY -1.526532157548e+02
+FORCES -4.0080000000e-03 -9.3410000000e-04 -2.1878000000e-03  2.7422000000e-03 -2.4852000000e-03  1.8996000000e-03  1.6629000000e-03  3.4605000000e-03  6.8540000000e-04 -3.6347000000e-03 -1.7914000000e-03 -2.9258000000e-03  1.1604000000e-03  3.2597000000e-03 -4.9100000000e-04  2.0772000000e-03 -1.5094000000e-03  3.0195000000e-03
+
+JOB 55
+COORDS  1.7751000000e-02 -1.3400800000e-01  2.0771460000e+00  6.3869200000e-01 -1.7266200000e-01  1.3497050000e+00 -5.9292200000e-01 -8.5185800000e-01  1.9098090000e+00  6.1260000000e-03  1.9018400000e-01 -2.0908110000e+00 -8.4797800000e-01 -1.9002200000e-01 -1.8854260000e+00  4.2734800000e-01  3.0805500000e-01 -1.2393940000e+00
+ENERGY -1.526527328404e+02
+FORCES  4.4130000000e-04 -3.9068000000e-03 -1.9487000000e-03 -3.4845000000e-03  9.9640000000e-04  1.3243000000e-03  2.6093000000e-03  3.5272000000e-03  1.3150000000e-04 -2.5573000000e-03  2.9000000000e-05  3.8265000000e-03  3.9865000000e-03  1.1217000000e-03 -7.2710000000e-04 -9.9530000000e-04 -1.7675000000e-03 -2.6065000000e-03
+
+JOB 56
+COORDS  1.6732100000e+00 -1.3465900000e-01 -1.1462390000e+00  1.8480220000e+00 -9.7149100000e-01 -1.5768030000e+00  1.0639630000e+00  3.1417400000e-01 -1.7324130000e+00 -1.6038850000e+00  1.9228800000e-01  1.1576560000e+00 -2.2239360000e+00 -5.1011800000e-01  9.6170900000e-01 -1.6650300000e+00  3.0881500000e-01  2.1057670000e+00
+ENERGY -1.526533909289e+02
+FORCES -2.9794000000e-03 -1.1202000000e-03 -3.3826000000e-03 -6.2850000000e-04  3.2107000000e-03  1.7431000000e-03  3.1859000000e-03 -1.9599000000e-03  1.4797000000e-03 -1.8992000000e-03 -2.6236000000e-03  3.5567000000e-03  2.4090000000e-03  2.9341000000e-03  4.7560000000e-04 -8.7800000000e-05 -4.4120000000e-04 -3.8725000000e-03
+
+JOB 57
+COORDS  3.9665700000e-01  1.6812950000e+00 -1.1066180000e+00 -8.2541000000e-02  9.4058600000e-01 -1.4780350000e+00 -1.8584900000e-01  2.4306060000e+00 -1.2309260000e+00 -3.0485600000e-01 -1.6409790000e+00  1.1651540000e+00 -4.4569800000e-01 -1.6987680000e+00  2.2013700000e-01 -6.9649200000e-01 -2.4410370000e+00  1.5155270000e+00
+ENERGY -1.526525912736e+02
+FORCES -4.5627000000e-03  3.3630000000e-04 -1.2405000000e-03  1.9615000000e-03  2.1820000000e-03  1.2911000000e-03  2.5332000000e-03 -3.0454000000e-03  3.0670000000e-04 -1.7339000000e-03 -3.6255000000e-03 -2.2216000000e-03  1.5550000000e-04  6.4210000000e-04  3.2598000000e-03  1.6463000000e-03  3.5106000000e-03 -1.3956000000e-03
+
+JOB 58
+COORDS  5.1102100000e-01  1.8642990000e+00  8.4514300000e-01 -3.2216600000e-01  2.2906650000e+00  6.4453700000e-01  3.3828300000e-01  9.3071200000e-01  7.2345400000e-01 -4.1952800000e-01 -1.8374220000e+00 -7.6878100000e-01 -7.9573700000e-01 -1.0506800000e+00 -1.1634160000e+00 -6.0914800000e-01 -2.5348710000e+00 -1.3963490000e+00
+ENERGY -1.526548406266e+02
+FORCES -3.4849000000e-03 -2.6829000000e-03 -2.9130000000e-04  3.3018000000e-03 -1.9494000000e-03  3.0100000000e-04 -2.1000000000e-06  5.3791000000e-03 -2.5970000000e-04 -2.2244000000e-03 -1.2897000000e-03 -5.2921000000e-03  1.8230000000e-03 -2.4768000000e-03  2.9947000000e-03  5.8670000000e-04  3.0197000000e-03  2.5474000000e-03
+
+JOB 59
+COORDS -4.7999800000e-01 -1.3091300000e+00  1.5626300000e+00 -1.3343650000e+00 -1.6921360000e+00  1.3636400000e+00  4.7658000000e-02 -1.4812170000e+00  7.8276100000e-01  4.3685600000e-01  1.3005820000e+00 -1.4890000000e+00  5.3018600000e-01  1.9820700000e+00 -2.1546540000e+00  1.2827180000e+00  1.2850380000e+00 -1.0412190000e+00
+ENERGY -1.526546854115e+02
+FORCES -1.9859000000e-03 -1.3826000000e-03 -5.0969000000e-03  3.3484000000e-03  1.0521000000e-03  1.2425000000e-03 -1.3054000000e-03  6.5600000000e-05  3.9424000000e-03  3.6766000000e-03  3.6937000000e-03 -5.5440000000e-04 -3.6960000000e-04 -2.8101000000e-03  2.7468000000e-03 -3.3641000000e-03 -6.1860000000e-04 -2.2804000000e-03
+
+JOB 60
+COORDS  3.0169800000e-01  1.9502870000e+00  6.1575800000e-01  3.7105900000e-01  2.3270930000e+00  1.4929340000e+00 -6.3980000000e-01  1.8708300000e+00  4.6245600000e-01 -2.3470900000e-01 -2.0219410000e+00 -6.3544600000e-01  2.1746400000e-01 -1.1839190000e+00 -7.3286300000e-01 -1.1196330000e+00 -1.8563760000e+00 -9.6061000000e-01
+ENERGY -1.526553499277e+02
+FORCES -3.2731000000e-03  2.1164000000e-03  4.2432000000e-03 -4.9230000000e-04 -1.2660000000e-03 -3.7959000000e-03  4.0493000000e-03 -3.2440000000e-04 -2.5300000000e-05 -7.5610000000e-04  4.5242000000e-03 -1.5445000000e-03 -2.7832000000e-03 -4.5935000000e-03 -3.5780000000e-04  3.2553000000e-03 -4.5670000000e-04  1.4804000000e-03
+
+JOB 61
+COORDS -1.4735180000e+00  1.7198800000e+00 -6.2483000000e-01 -7.1324400000e-01  2.1114160000e+00 -1.0548480000e+00 -1.2609320000e+00  7.8865900000e-01 -5.6266100000e-01  1.4676710000e+00 -1.6563570000e+00  6.0681500000e-01  1.3882480000e+00 -1.7046240000e+00  1.5594920000e+00  7.2705800000e-01 -2.1659520000e+00  2.7812600000e-01
+ENERGY -1.526548909402e+02
+FORCES  4.8828000000e-03 -2.2359000000e-03 -1.3608000000e-03 -3.4472000000e-03 -1.2346000000e-03  1.5162000000e-03 -1.8636000000e-03  3.4766000000e-03 -3.5780000000e-04 -2.4626000000e-03 -3.1324000000e-03  3.3523000000e-03  2.2740000000e-04  1.5850000000e-04 -4.1903000000e-03  2.6632000000e-03  2.9677000000e-03  1.0405000000e-03
+
+JOB 62
+COORDS -1.6447110000e+00  8.7873000000e-01  1.3897920000e+00 -2.2229500000e+00  1.1789520000e+00  6.8855100000e-01 -2.2349910000e+00  6.6314900000e-01  2.1118210000e+00  1.7564300000e+00 -8.7994200000e-01 -1.3442340000e+00  1.1538170000e+00 -1.9016400000e-01 -1.6222560000e+00  1.5468350000e+00 -1.6237480000e+00 -1.9090830000e+00
+ENERGY -1.526536210434e+02
+FORCES -4.7469000000e-03  1.5220000000e-04  7.2440000000e-04  2.6582000000e-03 -1.3132000000e-03  2.4796000000e-03  2.3218000000e-03  9.8310000000e-04 -3.0451000000e-03 -3.8218000000e-03  6.9400000000e-05 -2.6238000000e-03  2.6804000000e-03 -2.8468000000e-03  2.9270000000e-04  9.0840000000e-04  2.9553000000e-03  2.1722000000e-03
+
+JOB 63
+COORDS -2.3021490000e+00 -3.1515800000e-01 -7.3263400000e-01 -2.0489140000e+00 -1.2305530000e+00 -8.5161000000e-01 -1.4723070000e+00  1.6035500000e-01 -6.9414300000e-01  2.1770700000e+00  3.2904000000e-01  7.3633000000e-01  2.7321320000e+00  6.0013900000e-01  5.1360000000e-03  2.7678870000e+00  3.0194100000e-01  1.4889470000e+00
+ENERGY -1.526554217995e+02
+FORCES  5.1913000000e-03 -1.6920000000e-03  4.3370000000e-04 -1.3995000000e-03  3.4334000000e-03  1.5480000000e-04 -4.1876000000e-03 -1.7606000000e-03 -1.0260000000e-03  5.2409000000e-03  1.0990000000e-03  8.4590000000e-04 -2.6041000000e-03 -1.1993000000e-03  2.8696000000e-03 -2.2410000000e-03  1.1960000000e-04 -3.2779000000e-03
+
+JOB 64
+COORDS -5.0744500000e-01  1.6617530000e+00 -1.6930490000e+00 -1.0123190000e+00  8.4941500000e-01 -1.7310150000e+00 -3.5036800000e-01  1.8897360000e+00 -2.6093360000e+00  5.1296000000e-01 -1.6817960000e+00  1.7092340000e+00  7.0531000000e-02 -1.4704230000e+00  2.5313110000e+00  1.1625270000e+00 -9.8715100000e-01  1.6007800000e+00
+ENERGY -1.526550848017e+02
+FORCES -1.6018000000e-03 -2.7215000000e-03 -3.9170000000e-03  2.0041000000e-03  3.7674000000e-03 -1.1870000000e-04 -6.1230000000e-04 -8.8240000000e-04  3.7069000000e-03  1.0579000000e-03  4.1216000000e-03  2.9146000000e-03  1.7227000000e-03 -1.0068000000e-03 -3.2931000000e-03 -2.5706000000e-03 -3.2783000000e-03  7.0740000000e-04
+
+JOB 65
+COORDS  2.5075710000e+00  1.2757300000e-01 -5.1163500000e-01  2.0969430000e+00  6.2241100000e-01 -1.2206850000e+00  1.8051990000e+00 -8.2020000000e-03  1.2434500000e-01 -2.4589140000e+00 -1.9037200000e-01  4.6026000000e-01 -2.7695390000e+00  7.0568500000e-01  5.8997300000e-01 -1.9263910000e+00 -3.7415800000e-01  1.2341290000e+00
+ENERGY -1.526542518180e+02
+FORCES -4.9502000000e-03  1.1681000000e-03 -8.2170000000e-04  2.0100000000e-03 -1.7675000000e-03  2.9811000000e-03  3.0714000000e-03  6.8650000000e-04 -1.9508000000e-03 -2.8410000000e-04  2.6645000000e-03  4.0600000000e-03  1.6465000000e-03 -3.7451000000e-03 -6.5090000000e-04 -1.4935000000e-03  9.9340000000e-04 -3.6177000000e-03
+
+JOB 66
+COORDS -1.1613300000e-01  1.0270350000e+00 -2.3114630000e+00  1.2010200000e-01  1.2961750000e+00 -1.4237760000e+00  5.4891300000e-01  1.4302330000e+00 -2.8694750000e+00  5.3053000000e-02 -1.0032870000e+00  2.2781000000e+00  2.6364900000e-01 -1.4512290000e+00  3.0973860000e+00  3.8700000000e-02 -1.6991240000e+00  1.6209580000e+00
+ENERGY -1.526550223351e+02
+FORCES  3.5422000000e-03  2.9865000000e-03  1.7625000000e-03 -8.5580000000e-04 -1.1155000000e-03 -4.2661000000e-03 -2.6585000000e-03 -1.6702000000e-03  2.1673000000e-03  5.0880000000e-04 -4.9844000000e-03  7.7300000000e-04 -8.1600000000e-04  1.7885000000e-03 -3.3461000000e-03  2.7940000000e-04  2.9951000000e-03  2.9093000000e-03
+
+JOB 67
+COORDS  5.0253800000e-01  3.7830300000e-01  2.5265330000e+00 -1.5451300000e-01  2.6372100000e-01  3.2131090000e+00  1.0625660000e+00 -3.9458800000e-01  2.5989090000e+00 -4.6860300000e-01 -3.5092700000e-01 -2.6217490000e+00 -6.7608800000e-01 -9.7225800000e-01 -1.9238030000e+00 -7.7112000000e-01  4.9393400000e-01 -2.2886940000e+00
+ENERGY -1.526546911903e+02
+FORCES  1.1770000000e-04 -3.4395000000e-03  3.6308000000e-03  2.5938000000e-03  4.0700000000e-04 -3.0437000000e-03 -2.5721000000e-03  3.1063000000e-03 -4.0900000000e-04 -1.8353000000e-03  1.3006000000e-03  4.7662000000e-03  7.2860000000e-04  2.0758000000e-03 -3.1148000000e-03  9.6730000000e-04 -3.4502000000e-03 -1.8295000000e-03
+
+JOB 68
+COORDS -3.3979400000e-01  2.5036130000e+00 -9.3166500000e-01 -4.4814400000e-01  1.6552670000e+00 -5.0178000000e-01  1.2656600000e-01  2.3035590000e+00 -1.7432790000e+00  3.5134700000e-01 -2.5080970000e+00  9.1189000000e-01  6.3741900000e-01 -2.1565660000e+00  1.7549910000e+00 -3.8003600000e-01 -1.9471590000e+00  6.5370600000e-01
+ENERGY -1.526537075868e+02
+FORCES  1.7953000000e-03 -4.1059000000e-03 -1.9521000000e-03  1.1920000000e-04  3.1411000000e-03 -1.3516000000e-03 -2.0684000000e-03  8.7180000000e-04  3.4328000000e-03 -1.8891000000e-03  2.9929000000e-03  2.9735000000e-03 -1.2607000000e-03 -1.2789000000e-03 -3.7636000000e-03  3.3038000000e-03 -1.6209000000e-03  6.6100000000e-04
+
+JOB 69
+COORDS -2.1047470000e+00  1.2225250000e+00  1.2909820000e+00 -3.0034110000e+00  1.3585600000e+00  9.9076800000e-01 -2.1709770000e+00  5.1738000000e-01  1.9348890000e+00  2.2028810000e+00 -1.1880470000e+00 -1.2602790000e+00  2.1897540000e+00 -6.4210600000e-01 -2.0464140000e+00  1.4381830000e+00 -1.7567120000e+00 -1.3502180000e+00
+ENERGY -1.526539746420e+02
+FORCES -3.7486000000e-03 -2.2319000000e-03  1.7451000000e-03  3.7256000000e-03 -6.1530000000e-04  1.0814000000e-03  9.4500000000e-05  2.8417000000e-03 -2.7549000000e-03 -3.5577000000e-03  4.5930000000e-04 -3.3691000000e-03  2.5820000000e-04 -2.4187000000e-03  2.9947000000e-03  3.2281000000e-03  1.9649000000e-03  3.0280000000e-04
+
+JOB 70
+COORDS  1.8268810000e+00  5.1556400000e-01 -2.3934870000e+00  2.4023750000e+00 -1.4011100000e-01 -1.9996250000e+00  2.1987230000e+00  1.3549760000e+00 -2.1226490000e+00 -1.8387860000e+00 -5.5346500000e-01  2.3071540000e+00 -1.9508950000e+00  3.6295200000e-01  2.5598250000e+00 -2.4314020000e+00 -1.0356290000e+00  2.8838300000e+00
+ENERGY -1.526538798291e+02
+FORCES  3.6058000000e-03  4.9560000000e-04  3.0775000000e-03 -2.1146000000e-03  2.7542000000e-03 -1.8196000000e-03 -1.4705000000e-03 -3.2935000000e-03 -1.1910000000e-03 -3.0150000000e-03  1.8384000000e-03  3.1304000000e-03  5.2570000000e-04 -3.7417000000e-03 -8.8010000000e-04  2.4686000000e-03  1.9470000000e-03 -2.3173000000e-03
+
+JOB 71
+COORDS -1.5708920000e+00 -1.9537230000e+00  2.0543070000e+00 -2.2629900000e+00 -1.3623530000e+00  1.7584780000e+00 -8.3776200000e-01 -1.7794230000e+00  1.4640770000e+00  1.5489790000e+00  1.8738580000e+00 -2.0529440000e+00  1.7248760000e+00  2.8146160000e+00 -2.0366480000e+00  1.6883950000e+00  1.5879700000e+00 -1.1501360000e+00
+ENERGY -1.526540953843e+02
+FORCES -4.6300000000e-05  2.9092000000e-03 -3.8421000000e-03  2.9048000000e-03 -2.3478000000e-03  1.3392000000e-03 -2.8061000000e-03 -5.2100000000e-04  2.5903000000e-03  1.6206000000e-03  2.9773000000e-03  3.5516000000e-03 -7.7700000000e-04 -3.9145000000e-03 -2.8400000000e-05 -8.9600000000e-04  8.9680000000e-04 -3.6107000000e-03
+
+JOB 72
+COORDS -2.8058910000e+00 -6.9738000000e-02 -1.5679940000e+00 -2.0002880000e+00  3.2904700000e-01 -1.8969410000e+00 -2.7816430000e+00 -9.6763200000e-01 -1.8987970000e+00  2.7472920000e+00  4.4439000000e-02  1.6513390000e+00  3.5570050000e+00  5.3826700000e-01  1.5219920000e+00  2.1480110000e+00  3.8838200000e-01  9.8892100000e-01
+ENERGY -1.526538565530e+02
+FORCES  3.1390000000e-03 -2.2411000000e-03 -2.7467000000e-03 -3.0681000000e-03 -1.5281000000e-03  1.5052000000e-03 -5.0600000000e-05  3.7768000000e-03  1.3181000000e-03  7.9170000000e-04  3.5268000000e-03 -2.9784000000e-03 -3.3343000000e-03 -2.0553000000e-03  4.5500000000e-04  2.5224000000e-03 -1.4790000000e-03  2.4468000000e-03
+
+JOB 73
+COORDS  5.6783700000e-01  8.4195000000e-01 -3.1141940000e+00  1.2740280000e+00  2.3712400000e-01 -2.8867900000e+00  8.1452300000e-01  1.6669540000e+00 -2.6961690000e+00 -5.8723700000e-01 -8.8003600000e-01  3.1127950000e+00 -1.4639570000e+00 -5.3858600000e-01  3.2888820000e+00 -4.8744800000e-01 -8.0708000000e-01  2.1636110000e+00
+ENERGY -1.526543012021e+02
+FORCES  4.1636000000e-03  1.0420000000e-03  2.1897000000e-03 -3.0689000000e-03  2.4486000000e-03 -7.3230000000e-04 -1.1502000000e-03 -3.4875000000e-03 -1.5504000000e-03 -3.4028000000e-03  1.5900000000e-03 -3.1931000000e-03  3.6233000000e-03 -1.3550000000e-03 -6.5640000000e-04 -1.6490000000e-04 -2.3810000000e-04  3.9426000000e-03
+
+JOB 74
+COORDS  3.2184940000e+00  2.5927500000e-01  3.1419000000e-02  3.0318220000e+00  7.3521300000e-01 -7.7782000000e-01  4.1740960000e+00  2.2453900000e-01  7.4422000000e-02 -3.2955690000e+00 -2.3712000000e-01 -9.9210000000e-03 -2.6449210000e+00 -2.1608000000e-01  6.9182400000e-01 -3.4002280000e+00 -1.1667970000e+00 -2.1235800000e-01
+ENERGY -1.526544937530e+02
+FORCES  3.2057000000e-03  1.9097000000e-03 -3.2057000000e-03  8.0480000000e-04 -2.0036000000e-03  3.3554000000e-03 -3.8974000000e-03  1.2030000000e-04 -1.7450000000e-04  2.4725000000e-03 -3.7273000000e-03  2.1423000000e-03 -2.8913000000e-03 -5.8700000000e-05 -2.8758000000e-03  3.0580000000e-04  3.7596000000e-03  7.5820000000e-04
+
+JOB 75
+COORDS -2.9339070000e+00 -1.2182890000e+00 -8.8504100000e-01 -2.9119830000e+00 -2.1719830000e+00 -8.0618000000e-01 -3.8450980000e+00 -9.8381100000e-01 -7.0902400000e-01  2.9899280000e+00  1.2448770000e+00  8.1772200000e-01  2.2209220000e+00  1.1842220000e+00  1.3844520000e+00  3.6521170000e+00  1.6770030000e+00  1.3571710000e+00
+ENERGY -1.526540251640e+02
+FORCES -3.5789000000e-03 -3.0123000000e-03  8.1760000000e-04 -1.4670000000e-04  3.9214000000e-03 -2.3490000000e-04  3.7422000000e-03 -9.2690000000e-04 -6.4270000000e-04 -7.6360000000e-04  1.4667000000e-03  4.3676000000e-03  3.3900000000e-03  3.1260000000e-04 -2.1174000000e-03 -2.6432000000e-03 -1.7616000000e-03 -2.1902000000e-03
+
+JOB 76
+COORDS -8.1172000000e-02 -3.4979700000e+00  8.6611600000e-01  2.8792100000e-01 -4.0866740000e+00  2.0776300000e-01 -3.2460500000e-01 -2.7125070000e+00  3.7619800000e-01  1.0659600000e-01  3.5405080000e+00 -7.8872800000e-01 -3.4965700000e-01  2.9393500000e+00 -1.9993700000e-01 -1.5991000000e-02  3.1626890000e+00 -1.6596230000e+00
+ENERGY -1.526538028776e+02
+FORCES  6.3280000000e-04  6.0070000000e-04 -4.6571000000e-03 -1.5618000000e-03  2.4758000000e-03  2.6802000000e-03  9.1510000000e-04 -3.0094000000e-03  1.9847000000e-03 -2.3822000000e-03 -3.7736000000e-03 -1.0618000000e-03  1.8858000000e-03  2.3075000000e-03 -2.5397000000e-03  5.1030000000e-04  1.3990000000e-03  3.5938000000e-03
+
+JOB 77
+COORDS  3.3683840000e+00  6.4263500000e-01  1.1928590000e+00  3.0281710000e+00  1.3724350000e+00  6.7529000000e-01  3.9336210000e+00  1.6230700000e-01  5.8786000000e-01 -3.4079090000e+00 -6.6699600000e-01 -1.0673230000e+00 -3.8889900000e+00 -4.9808700000e-01 -1.8774240000e+00 -2.4869990000e+00 -6.5482900000e-01 -1.3281070000e+00
+ENERGY -1.526539033771e+02
+FORCES  1.0250000000e-03  1.0924000000e-03 -4.4090000000e-03  1.3387000000e-03 -3.0646000000e-03  2.0104000000e-03 -2.3955000000e-03  1.9550000000e-03  2.4123000000e-03  1.8061000000e-03  6.5250000000e-04 -4.2513000000e-03  1.9945000000e-03 -6.6380000000e-04  3.2975000000e-03 -3.7687000000e-03  2.8500000000e-05  9.4010000000e-04
+
+JOB 78
+COORDS  2.4946670000e+00 -2.6819260000e+00  7.3695500000e-01  1.5951720000e+00 -2.8556910000e+00  1.0143450000e+00  2.8717040000e+00 -3.5490810000e+00  5.8823500000e-01 -2.4275610000e+00  2.7437060000e+00 -7.8781200000e-01 -2.1983850000e+00  2.4831580000e+00  1.0427800000e-01 -3.3823640000e+00  2.8109970000e+00 -7.8037500000e-01
+ENERGY -1.526539470625e+02
+FORCES -2.1137000000e-03 -4.2490000000e-03  3.5810000000e-04  3.6435000000e-03  7.3850000000e-04 -1.0214000000e-03 -1.5418000000e-03  3.5319000000e-03  6.5140000000e-04 -2.8127000000e-03 -7.2990000000e-04  3.6788000000e-03 -1.0572000000e-03  1.0214000000e-03 -3.6313000000e-03  3.8818000000e-03 -3.1290000000e-04 -3.5600000000e-05
+
+JOB 79
+COORDS -3.7772900000e+00 -1.4380080000e+00  1.1006310000e+00 -2.8700930000e+00 -1.6955580000e+00  9.3664000000e-01 -4.2918780000e+00 -1.9750100000e+00  4.9808500000e-01  3.7860660000e+00  1.4304420000e+00 -1.0262950000e+00  3.5091190000e+00  2.2373680000e+00 -5.9224000000e-01  3.5279600000e+00  1.5488830000e+00 -1.9403980000e+00
+ENERGY -1.526542043470e+02
+FORCES  1.6702000000e-03 -3.3057000000e-03 -3.0709000000e-03 -3.7740000000e-03  1.0822000000e-03  6.3810000000e-04  2.0737000000e-03  2.2142000000e-03  2.4329000000e-03 -2.1201000000e-03  3.8884000000e-03 -1.9313000000e-03  1.1290000000e-03 -3.3314000000e-03 -1.7930000000e-03  1.0213000000e-03 -5.4770000000e-04  3.7243000000e-03
+
+JOB 80
+COORDS  2.3252380000e+00  3.7210810000e+00 -2.0581760000e+00  1.6749950000e+00  4.4156120000e+00 -1.9530880000e+00  2.7629780000e+00  3.6715770000e+00 -1.2083730000e+00 -2.3269220000e+00 -3.7117040000e+00  1.9501550000e+00 -2.8909910000e+00 -4.3847630000e+00  2.3310100000e+00 -1.4890050000e+00 -3.8177610000e+00  2.4005740000e+00
+ENERGY -1.526540281794e+02
+FORCES -9.7020000000e-04  2.5644000000e-03  3.9097000000e-03  2.6961000000e-03 -2.7896000000e-03 -4.3650000000e-04 -1.7332000000e-03  2.2280000000e-04 -3.4643000000e-03  1.1411000000e-03 -3.2091000000e-03  3.3257000000e-03  2.2953000000e-03  2.7593000000e-03 -1.5367000000e-03 -3.4291000000e-03  4.5220000000e-04 -1.7981000000e-03
+
+JOB 81
+COORDS -3.5622480000e+00  2.5640170000e+00  2.3255030000e+00 -4.0270060000e+00  3.4005550000e+00  2.3463900000e+00 -4.2185460000e+00  1.9321240000e+00  2.0318780000e+00  3.6648730000e+00 -2.6107200000e+00 -2.2762420000e+00  2.7279010000e+00 -2.5126350000e+00 -2.1068460000e+00  3.8303240000e+00 -2.0558530000e+00 -3.0384630000e+00
+ENERGY -1.526540969981e+02
+FORCES -4.6013000000e-03  8.6520000000e-04 -1.0212000000e-03  1.9009000000e-03 -3.4237000000e-03 -1.1540000000e-04  2.7065000000e-03  2.5638000000e-03  1.1483000000e-03 -3.1672000000e-03  2.7422000000e-03 -2.3322000000e-03  3.8229000000e-03 -4.5710000000e-04 -7.4960000000e-04 -6.6190000000e-04 -2.2904000000e-03  3.0700000000e-03
+
+JOB 82
+COORDS -3.7578300000e-01  4.8741430000e+00  9.6266200000e-01 -8.6263000000e-01  4.6558070000e+00  1.7573570000e+00  9.2981000000e-02  5.6793640000e+00  1.1820030000e+00  3.4213800000e-01 -4.8751940000e+00 -1.0568100000e+00  6.9288400000e-01 -5.7599700000e+00 -1.1586970000e+00  6.4342200000e-01 -4.5956770000e+00 -1.9232700000e-01
+ENERGY -1.526539927148e+02
+FORCES -1.0920000000e-04  2.3856000000e-03  4.0956000000e-03  2.0091000000e-03  8.9320000000e-04 -3.2201000000e-03 -1.9025000000e-03 -3.2899000000e-03 -8.8320000000e-04  2.6798000000e-03 -2.3856000000e-03  3.0936000000e-03 -1.4391000000e-03  3.5928000000e-03  4.1880000000e-04 -1.2381000000e-03 -1.1961000000e-03 -3.5046000000e-03
+
+JOB 83
+COORDS -3.6880800000e+00  9.7341200000e-01 -3.4810150000e+00 -3.6230420000e+00  1.0527580000e+00 -2.5293290000e+00 -3.8943550000e+00  1.8583110000e+00 -3.7820730000e+00  3.6633630000e+00 -9.9418100000e-01  3.4882850000e+00  3.2811710000e+00 -1.4635600000e+00  2.7467700000e+00  4.6057860000e+00 -1.1389700000e+00  3.4039860000e+00
+ENERGY -1.526541544950e+02
+FORCES -6.1000000000e-04  3.9647000000e-03  2.6704000000e-03 -2.4520000000e-04 -3.5000000000e-04 -3.8969000000e-03  8.4760000000e-04 -3.6151000000e-03  1.2152000000e-03  2.3145000000e-03 -2.5430000000e-03 -3.3768000000e-03  1.5375000000e-03  1.9417000000e-03  3.0376000000e-03 -3.8444000000e-03  6.0170000000e-04  3.5050000000e-04
+
+JOB 84
+COORDS  4.4351080000e+00  9.7646300000e-01 -2.4936590000e+00  5.3648860000e+00  1.1963800000e+00 -2.4355040000e+00  4.0979340000e+00  1.1237510000e+00 -1.6100010000e+00 -4.4727950000e+00 -1.0175180000e+00  2.3905720000e+00 -3.9211160000e+00 -2.8060100000e-01  2.6529370000e+00 -4.8745700000e+00 -1.3186110000e+00  3.2055270000e+00
+ENERGY -1.526539951175e+02
+FORCES  2.3943000000e-03  1.4619000000e-03  3.8246000000e-03 -3.7941000000e-03 -8.8830000000e-04 -2.2990000000e-04  1.3897000000e-03 -5.7370000000e-04 -3.5866000000e-03  5.8130000000e-04  1.7694000000e-03  4.3662000000e-03 -2.2246000000e-03 -3.0043000000e-03 -1.0543000000e-03  1.6533000000e-03  1.2350000000e-03 -3.3200000000e-03
+
+JOB 85
+COORDS -3.2584820000e+00 -4.0572910000e+00 -6.6360900000e-01 -3.8162650000e+00 -3.8674190000e+00  9.0751000000e-02 -3.8660010000e+00 -4.3458330000e+00 -1.3447080000e+00  3.2770510000e+00  4.0393340000e+00  6.6370100000e-01  4.0966130000e+00  3.7268890000e+00  1.0470130000e+00  3.5139430000e+00  4.8554210000e+00  2.2311600000e-01
+ENERGY -1.526540016647e+02
+FORCES -4.7284000000e-03 -3.0680000000e-04  3.1290000000e-04  2.2538000000e-03 -8.2570000000e-04 -3.0803000000e-03  2.4744000000e-03  1.1466000000e-03  2.7719000000e-03  4.3074000000e-03  1.9802000000e-03 -2.6360000000e-04 -3.3356000000e-03  1.3129000000e-03 -1.5480000000e-03 -9.7160000000e-04 -3.3071000000e-03  1.8072000000e-03
+
+JOB 86
+COORDS  3.2739010000e+00  4.3500020000e+00 -1.1117910000e+00  2.8505100000e+00  3.6516800000e+00 -6.1247300000e-01  2.7138600000e+00  4.4701470000e+00 -1.8787010000e+00 -3.2748680000e+00 -4.2944430000e+00  1.1164010000e+00 -2.5324290000e+00 -3.8847220000e+00  1.5604100000e+00 -2.9670910000e+00 -5.1734960000e+00  8.9556100000e-01
+ENERGY -1.526540784280e+02
+FORCES -4.0428000000e-03 -2.3183000000e-03 -1.1119000000e-03  1.7487000000e-03  2.8174000000e-03 -2.0188000000e-03  2.3011000000e-03 -5.0310000000e-04  3.1350000000e-03  4.2475000000e-03 -1.9929000000e-03  9.5320000000e-04 -3.0121000000e-03 -1.6176000000e-03 -1.8470000000e-03 -1.2424000000e-03  3.6146000000e-03  8.8940000000e-04
+
+JOB 87
+COORDS  5.4194360000e+00 -3.1723100000e-01 -1.9660080000e+00  5.1784750000e+00  4.0451500000e-01 -2.5467430000e+00  5.3864960000e+00  6.0634000000e-02 -1.0871650000e+00 -5.3974300000e+00  2.6565000000e-01  2.0175440000e+00 -4.7613600000e+00 -1.2341500000e-01  1.4173150000e+00 -6.1638670000e+00  4.4387700000e-01  1.4725290000e+00
+ENERGY -1.526540982145e+02
+FORCES -1.0647000000e-03  4.4978000000e-03  1.2386000000e-03  9.5470000000e-04 -2.9549000000e-03  2.3597000000e-03  1.1320000000e-04 -1.5471000000e-03 -3.6013000000e-03 -5.5680000000e-04 -9.0720000000e-04 -4.6689000000e-03 -2.5812000000e-03  1.6210000000e-03  2.4503000000e-03  3.1348000000e-03 -7.0960000000e-04  2.2217000000e-03
+
+JOB 88
+COORDS -6.5027700000e+00 -2.0653700000e-01  2.4424300000e+00 -5.6642870000e+00  8.6200000000e-02  2.7994810000e+00 -6.6087320000e+00 -1.0967830000e+00  2.7777890000e+00  6.4844490000e+00  2.4318900000e-01 -2.4102100000e+00  7.0335070000e+00 -7.3383000000e-02 -3.1275310000e+00  5.6372430000e+00  4.2301700000e-01 -2.8178070000e+00
+ENERGY -1.526541041029e+02
+FORCES  2.9914000000e-03 -2.4338000000e-03  2.8459000000e-03 -3.4237000000e-03 -1.1945000000e-03 -1.4689000000e-03  4.2840000000e-04  3.6283000000e-03 -1.3771000000e-03 -1.2060000000e-03 -5.4520000000e-04 -4.6078000000e-03 -2.2411000000e-03  1.2861000000e-03  2.9311000000e-03  3.4510000000e-03 -7.4090000000e-04  1.6767000000e-03
+
+JOB 89
+COORDS -3.5553870000e+00  3.2328470000e+00  5.5643900000e+00 -3.3981810000e+00  2.4197010000e+00  5.0844820000e+00 -2.6809430000e+00  3.5582210000e+00  5.7781950000e+00  3.5378820000e+00 -3.2574650000e+00 -5.5455320000e+00  3.8540640000e+00 -2.3636920000e+00 -5.4135070000e+00  2.5961560000e+00 -3.1604600000e+00 -5.6868620000e+00
+ENERGY -1.526540639962e+02
+FORCES  4.2055000000e-03 -1.9979000000e-03 -1.0528000000e-03 -6.3950000000e-04  3.3245000000e-03  1.9388000000e-03 -3.5669000000e-03 -1.3249000000e-03 -8.8860000000e-04 -2.5458000000e-03  4.0349000000e-03 -7.8800000000e-05 -1.2952000000e-03 -3.6453000000e-03 -5.1680000000e-04  3.8420000000e-03 -3.9120000000e-04  5.9820000000e-04
+
+JOB 0
+COORDS -6.8705100000e-01 -4.7308800000e-01  8.7317800000e-01 -1.3413110000e+00 -9.7942900000e-01  1.3546290000e+00  9.6754000000e-02 -5.1100700000e-01  1.4213050000e+00  7.3921500000e-01  4.9002800000e-01 -9.7182000000e-01  3.4053900000e-01 -4.2156000000e-02 -2.8329300000e-01  1.8101200000e-01  1.2654880000e+00 -1.0292900000e+00
+ENERGY -1.526510668084e+02
+FORCES  7.5232000000e-03  3.4984000000e-03 -1.2122900000e-02  4.4543000000e-03  3.9669000000e-03 -6.9130000000e-04 -3.2926000000e-03  3.2150000000e-04 -9.2860000000e-03 -1.7378000000e-02 -6.1887000000e-03  1.2443900000e-02  6.8098000000e-03 -6.3570000000e-04  1.0251700000e-02  1.8833000000e-03 -9.6240000000e-04 -5.9540000000e-04
+
+JOB 1
+COORDS -5.2215900000e-01  6.9367400000e-01  1.0195270000e+00 -5.2859500000e-01  1.9948600000e-01  1.9979000000e-01 -1.1387420000e+00  1.4108650000e+00  8.7223200000e-01  5.6088900000e-01 -6.9906000000e-01 -8.9017200000e-01  1.5249800000e-01 -1.4109870000e+00 -1.3827240000e+00  9.3567600000e-01 -1.2765400000e-01 -1.5604430000e+00
+ENERGY -1.526566489367e+02
+FORCES  5.7090000000e-03 -8.8526000000e-03 -1.1587600000e-02 -6.5837000000e-03  5.3376000000e-03  5.1028000000e-03  2.9092000000e-03 -3.2108000000e-03 -2.3363000000e-03  5.9290000000e-04  4.7513000000e-03  2.5352000000e-03  7.0650000000e-04  5.3685000000e-03  3.2930000000e-03 -3.3339000000e-03 -3.3941000000e-03  2.9929000000e-03
+
+JOB 2
+COORDS  8.4091300000e-01  5.4708100000e-01 -9.2067700000e-01  2.3452300000e-01  2.5393400000e-01 -2.4053900000e-01  4.1431700000e-01  3.0562300000e-01 -1.7428370000e+00 -7.4280700000e-01 -4.5959400000e-01  9.2924700000e-01 -1.5960310000e+00 -5.5684700000e-01  5.0642200000e-01 -5.6903000000e-01 -1.3164300000e+00  1.3189470000e+00
+ENERGY -1.526576965208e+02
+FORCES -1.1343200000e-02 -8.1430000000e-03  1.2705100000e-02  2.6196000000e-03  4.4950000000e-03 -8.0711000000e-03 -4.3250000000e-04 -2.0700000000e-05  3.3140000000e-03  5.8444000000e-03 -7.2000000000e-04 -6.2172000000e-03  6.1957000000e-03  2.4490000000e-04  4.2320000000e-04 -2.8840000000e-03  4.1438000000e-03 -2.1540000000e-03
+
+JOB 3
+COORDS  5.5413000000e-01  1.2416790000e+00  1.1898700000e-01  1.2023780000e+00  1.2354460000e+00 -5.8526300000e-01  3.5098100000e-01  3.1796600000e-01  2.6635200000e-01 -5.6758800000e-01 -1.1648370000e+00 -2.6547000000e-02 -4.6396000000e-02 -1.8456020000e+00 -4.5216500000e-01 -1.2528930000e+00 -9.5532300000e-01 -6.6112800000e-01
+ENERGY -1.526583404356e+02
+FORCES -5.2019000000e-03 -1.6599200000e-02 -1.5348000000e-03 -2.3649000000e-03 -1.2262000000e-03  1.5421000000e-03  4.9771000000e-03  8.1378000000e-03  3.4050000000e-04  3.2990000000e-04  7.1923000000e-03 -4.3172000000e-03 -1.8380000000e-03  5.2411000000e-03  1.3288000000e-03  4.0978000000e-03 -2.7458000000e-03  2.6405000000e-03
+
+JOB 4
+COORDS -6.6519000000e-02  5.8163900000e-01  1.1315760000e+00  6.7089300000e-01  4.8848900000e-01  1.7347170000e+00 -4.4882800000e-01  1.4317090000e+00  1.3494130000e+00  9.0824000000e-02 -6.2499700000e-01 -1.2367080000e+00 -7.5796100000e-01 -1.0632730000e+00 -1.1758080000e+00  2.0703300000e-01 -2.0733400000e-01 -3.8331300000e-01
+ENERGY -1.526592023781e+02
+FORCES -1.2260000000e-04  1.2710000000e-04 -6.5809000000e-03 -3.8471000000e-03  1.0132000000e-03 -4.1077000000e-03  2.5118000000e-03 -4.5044000000e-03  1.0093000000e-03 -3.9883000000e-03  7.0413000000e-03  1.5526200000e-02  1.8177000000e-03  1.1589000000e-03 -5.7240000000e-04  3.6286000000e-03 -4.8362000000e-03 -5.2746000000e-03
+
+JOB 5
+COORDS -5.6961000000e-02  1.3085190000e+00 -1.3337600000e-01  2.7145900000e-01  1.6645800000e+00 -9.5896300000e-01  5.3512100000e-01  1.6595470000e+00  5.3179300000e-01  6.6267000000e-02 -1.3640220000e+00  1.1166900000e-01 -6.1225100000e-01 -1.8824060000e+00  5.4424700000e-01 -2.2040900000e-01 -4.5696400000e-01  2.1794800000e-01
+ENERGY -1.526600418158e+02
+FORCES  4.6741000000e-03 -4.7906000000e-03 -3.0845000000e-03 -9.4510000000e-04  2.7230000000e-04  4.7973000000e-03 -3.1025000000e-03 -2.4472000000e-03 -3.3969000000e-03 -2.1697000000e-03  1.2734200000e-02 -1.7090000000e-03  1.4484000000e-03  3.9973000000e-03 -1.0205000000e-03  9.4900000000e-05 -9.7661000000e-03  4.4136000000e-03
+
+JOB 6
+COORDS  1.6650800000e-01 -2.8062600000e-01 -1.3056300000e+00  2.7555200000e-01  2.0305700000e-01 -2.1244050000e+00  6.5787300000e-01  2.2697500000e-01 -6.5977100000e-01 -2.2454200000e-01  1.6911900000e-01  1.2675720000e+00 -2.9267400000e-01  1.1200010000e+00  1.1814740000e+00  2.0742000000e-01  3.4869000000e-02  2.1111460000e+00
+ENERGY -1.526520699659e+02
+FORCES  1.1939000000e-03  1.3025000000e-03  8.6921000000e-03 -1.1106000000e-03 -5.7740000000e-04  5.3548000000e-03  3.3380000000e-04  2.3245000000e-03 -6.2447000000e-03 -2.0601000000e-03  1.7209000000e-03 -6.3230000000e-04  3.2711000000e-03 -5.1203000000e-03 -1.8548000000e-03 -1.6281000000e-03  3.4980000000e-04 -5.3152000000e-03
+
+JOB 7
+COORDS -6.1648700000e-01  1.1478220000e+00 -1.0301700000e-01 -6.1416100000e-01  1.3494240000e+00 -1.0387430000e+00 -1.5050820000e+00  1.3565000000e+00  1.8522800000e-01  7.0284300000e-01 -1.2050810000e+00  1.9433800000e-01  8.5723700000e-01 -1.3379760000e+00 -7.4093300000e-01  4.1782000000e-02 -5.1387500000e-01  2.3260900000e-01
+ENERGY -1.526582254242e+02
+FORCES  1.1342000000e-03 -1.9219000000e-03 -2.7075000000e-03 -6.2540000000e-04 -1.8320000000e-03  4.8566000000e-03  4.9183000000e-03 -2.0787000000e-03 -1.9848000000e-03 -7.3514000000e-03  1.3571600000e-02 -3.6342000000e-03 -4.9660000000e-04  9.2770000000e-04  2.0627000000e-03  2.4209000000e-03 -8.6667000000e-03  1.4072000000e-03
+
+JOB 8
+COORDS -4.0255700000e-01  7.9257300000e-01 -1.1199720000e+00 -1.1172260000e+00  1.6235800000e-01 -1.0288260000e+00  3.6410000000e-03  8.2172800000e-01 -2.5372400000e-01  3.7386200000e-01 -7.2807200000e-01  1.0928850000e+00  1.2650610000e+00 -3.9737200000e-01  9.8048800000e-01  3.3885000000e-01 -1.5137840000e+00  5.4730000000e-01
+ENERGY -1.526553687184e+02
+FORCES -1.0896000000e-03 -8.0622000000e-03  1.2861600000e-02  1.4935000000e-03  9.0650000000e-04 -2.8832000000e-03  4.1326000000e-03  4.1416000000e-03 -3.9814000000e-03  2.5190000000e-03 -2.0376000000e-03 -7.8757000000e-03 -6.2937000000e-03  1.5094000000e-03 -9.9290000000e-04 -7.6180000000e-04  3.5423000000e-03  2.8718000000e-03
+
+JOB 9
+COORDS  9.9663300000e-01  5.5903600000e-01  6.4523800000e-01  1.9353140000e+00  6.1045500000e-01  4.6505700000e-01  8.3646400000e-01  1.2537250000e+00  1.2839750000e+00 -1.0689930000e+00 -5.6987700000e-01 -7.2043300000e-01 -1.4381000000e-01 -4.5507800000e-01 -5.0343600000e-01 -1.3966870000e+00 -1.1796170000e+00 -5.9323000000e-02
+ENERGY -1.526579651912e+02
+FORCES -5.1105000000e-03  2.8193000000e-03  3.6840000000e-04 -5.2960000000e-03 -5.8600000000e-04  1.6830000000e-04  3.1062000000e-03 -3.1064000000e-03 -2.0953000000e-03  9.6395000000e-03  3.7187000000e-03  8.8465000000e-03 -2.8864000000e-03 -4.8693000000e-03 -5.5548000000e-03  5.4720000000e-04  2.0235000000e-03 -1.7330000000e-03
+
+JOB 10
+COORDS -7.4824800000e-01 -8.5371000000e-01 -7.2163700000e-01 -6.1417800000e-01 -1.5975630000e+00 -1.3089530000e+00 -1.1279240000e+00 -1.7382900000e-01 -1.2782700000e+00  8.2240100000e-01  8.6848600000e-01  8.0736700000e-01  2.0311000000e-01  1.5577860000e+00  5.6741500000e-01  3.6263100000e-01  5.2869000000e-02  6.0833800000e-01
+ENERGY -1.526582708994e+02
+FORCES  2.5891000000e-03  2.6886000000e-03 -3.1397000000e-03 -1.0808000000e-03  3.9966000000e-03  1.9816000000e-03  1.4835000000e-03 -3.0044000000e-03  2.9601000000e-03 -8.5329000000e-03 -6.9932000000e-03 -6.7625000000e-03  1.6447000000e-03 -1.5216000000e-03 -1.9340000000e-04  3.8964000000e-03  4.8341000000e-03  5.1538000000e-03
+
+JOB 11
+COORDS  5.7266900000e-01 -6.4541400000e-01 -1.0976360000e+00 -1.0642800000e-01 -2.8480000000e-02 -8.2477800000e-01  5.9726300000e-01 -5.6883800000e-01 -2.0514510000e+00 -5.0200700000e-01  6.3707300000e-01  1.0879670000e+00 -1.6655100000e-01  2.0966500000e-01  1.8760170000e+00 -1.4468310000e+00  4.8641200000e-01  1.1169470000e+00
+ENERGY -1.526571542160e+02
+FORCES -3.2954000000e-03  5.6219000000e-03  5.3932000000e-03 -6.3400000000e-05 -4.0255000000e-03 -8.0420000000e-03 -1.4010000000e-03  1.0666000000e-03  4.4421000000e-03  2.8645000000e-03 -5.7121000000e-03  3.0980000000e-03 -3.0417000000e-03  2.9478000000e-03 -2.0706000000e-03  4.9370000000e-03  1.0130000000e-04 -2.8207000000e-03
+
+JOB 12
+COORDS  1.2517370000e+00  1.0947700000e-01  6.9516100000e-01  1.8972010000e+00  1.5412000000e-01 -1.0258000000e-02  4.1397900000e-01 -6.5480000000e-03  2.4690700000e-01 -1.1902810000e+00 -5.7518000000e-02 -5.8599100000e-01 -1.1049850000e+00 -3.6939500000e-01 -1.4869280000e+00 -1.9914890000e+00 -4.7050600000e-01 -2.6390600000e-01
+ENERGY -1.526602064924e+02
+FORCES -1.1045800000e-02 -2.4030000000e-04 -7.2712000000e-03 -2.8535000000e-03 -4.8710000000e-04  1.0400000000e-03  9.7986000000e-03 -1.8500000000e-05  3.1293000000e-03  3.0950000000e-04 -2.3645000000e-03  1.1242000000e-03  1.6090000000e-04  1.2563000000e-03  5.0781000000e-03  3.6302000000e-03  1.8541000000e-03 -3.1003000000e-03
+
+JOB 13
+COORDS -1.8837000000e-02 -1.3817600000e+00  3.5809000000e-02 -8.6093300000e-01 -1.7901670000e+00  2.3658400000e-01  1.4555100000e-01 -1.6082480000e+00 -8.7956600000e-01  7.3601000000e-02  1.4634140000e+00  6.0333000000e-02 -2.3926200000e-01  1.7380880000e+00 -8.0158500000e-01  1.3961500000e-01  5.1045200000e-01 -7.9900000000e-04
+ENERGY -1.526601507633e+02
+FORCES -3.9961000000e-03 -1.9854000000e-03 -6.4770000000e-04  4.5013000000e-03  1.2007000000e-03 -2.1615000000e-03 -1.6232000000e-03  3.5062000000e-03  4.5671000000e-03 -1.2180000000e-03 -1.1233800000e-02 -1.2953000000e-03  9.4650000000e-04 -2.0376000000e-03  2.2723000000e-03  1.3895000000e-03  1.0549900000e-02 -2.7349000000e-03
+
+JOB 14
+COORDS  7.8210500000e-01  4.8007300000e-01 -1.1569450000e+00  1.3184600000e-01  4.1169500000e-01 -4.5786000000e-01  1.6135210000e+00  6.0661300000e-01 -6.9981500000e-01 -7.9726700000e-01 -4.2608500000e-01  1.0507400000e+00 -6.4997500000e-01 -1.3337750000e+00  7.8496800000e-01 -8.7195500000e-01 -4.6431800000e-01  2.0042560000e+00
+ENERGY -1.526607353084e+02
+FORCES -3.1301000000e-03 -2.9510000000e-04  1.0259300000e-02  3.8728000000e-03 -1.6320000000e-04 -7.9250000000e-03 -2.0358000000e-03 -6.3840000000e-04 -1.6918000000e-03  1.1235000000e-03 -2.6747000000e-03  1.6969000000e-03 -4.7350000000e-04  5.1767000000e-03  1.9557000000e-03  6.4320000000e-04 -1.4053000000e-03 -4.2951000000e-03
+
+JOB 15
+COORDS  1.7105300000e-01  7.0770700000e-01 -1.3014640000e+00 -4.5386500000e-01  1.3303620000e+00 -9.2996600000e-01  1.3283100000e-01 -4.8766000000e-02 -7.1621200000e-01 -1.4780800000e-01 -6.6721500000e-01  1.1830070000e+00  5.6857400000e-01 -1.2818440000e+00  1.3419410000e+00 -5.9075700000e-01 -5.9120800000e-01  2.0281400000e+00
+ENERGY -1.526584376009e+02
+FORCES -4.3411000000e-03 -2.8274000000e-03  1.1659000000e-02  1.4189000000e-03 -1.5670000000e-04 -2.6020000000e-03  3.5076000000e-03 -2.4630000000e-04 -6.3629000000e-03  4.4240000000e-04  8.2080000000e-04  2.2621000000e-03 -3.8305000000e-03  3.0983000000e-03 -1.7571000000e-03  2.8028000000e-03 -6.8870000000e-04 -3.1992000000e-03
+
+JOB 16
+COORDS -2.3697200000e-01  9.2975200000e-01  1.1195870000e+00  7.1352000000e-01  8.5545100000e-01  1.2048900000e+00 -5.5240900000e-01  2.6708000000e-02  1.1548530000e+00  2.4767100000e-01 -8.8504600000e-01 -1.1711540000e+00  2.1909200000e-01 -1.6532800000e-01 -5.4074100000e-01 -5.6774200000e-01 -1.3646050000e+00 -1.0250150000e+00
+ENERGY -1.526543199672e+02
+FORCES  2.6926000000e-03 -3.9024000000e-03  4.4113000000e-03 -5.9303000000e-03 -4.5190000000e-04 -4.2927000000e-03  2.4140000000e-03  4.0555000000e-03 -6.5726000000e-03 -5.3708000000e-03  6.3358000000e-03  3.8799000000e-03  2.7599000000e-03 -7.9457000000e-03  1.1550000000e-03  3.4347000000e-03  1.9088000000e-03  1.4191000000e-03
+
+JOB 17
+COORDS  9.2733000000e-02 -6.2205100000e-01  1.3455320000e+00  9.6332300000e-01 -1.0182390000e+00  1.3089220000e+00  4.2059000000e-02 -8.0786000000e-02  5.5768900000e-01 -1.5224500000e-01  6.1105600000e-01 -1.2308480000e+00 -2.3815000000e-01 -1.1391200000e-01 -1.8499390000e+00  1.1754900000e-01  1.3553730000e+00 -1.7688410000e+00
+ENERGY -1.526612541030e+02
+FORCES  2.0548000000e-03  4.8715000000e-03 -8.7031000000e-03 -2.6527000000e-03  8.9100000000e-04 -3.3010000000e-04  3.5480000000e-04 -5.4989000000e-03  7.8760000000e-03  2.8160000000e-04 -5.6700000000e-05 -2.5730000000e-03  1.3143000000e-03  4.1618000000e-03  2.6167000000e-03 -1.3526000000e-03 -4.3687000000e-03  1.1134000000e-03
+
+JOB 18
+COORDS -9.1624300000e-01  1.0605060000e+00 -3.0541600000e-01 -8.0219100000e-01  3.2436200000e-01 -9.0651100000e-01 -1.8486340000e+00  1.2706540000e+00 -3.5752800000e-01  1.0052830000e+00 -1.0261130000e+00  2.8837300000e-01  4.8439300000e-01 -1.7884290000e+00  5.4092100000e-01  8.1229800000e-01 -3.7078700000e-01  9.5884800000e-01
+ENERGY -1.526580904420e+02
+FORCES  1.6460000000e-04 -3.9158000000e-03 -4.0004000000e-03 -4.1948000000e-03  4.6411000000e-03  1.8563000000e-03  3.9745000000e-03 -2.2105000000e-03  4.0710000000e-04 -4.0660000000e-03  3.3758000000e-03  5.5287000000e-03  1.2355000000e-03  3.2116000000e-03 -2.1093000000e-03  2.8862000000e-03 -5.1021000000e-03 -1.6824000000e-03
+
+JOB 19
+COORDS  1.4026940000e+00  4.4685400000e-01 -3.1952400000e-01  1.4123570000e+00  1.3047550000e+00  1.0490900000e-01  4.9431600000e-01  1.5374800000e-01 -2.4762300000e-01 -1.3333840000e+00 -4.2180300000e-01  3.1600300000e-01 -1.8807490000e+00 -5.5697400000e-01 -4.5752900000e-01 -1.0729590000e+00 -1.3034240000e+00  5.8275100000e-01
+ENERGY -1.526614805058e+02
+FORCES -1.0286700000e-02  9.2100000000e-04  3.7215000000e-03  3.6850000000e-04 -2.4270000000e-03 -1.4409000000e-03  9.8981000000e-03  1.3280000000e-04 -3.0788000000e-03 -3.4304000000e-03 -4.5442000000e-03 -2.3420000000e-04  3.8264000000e-03  5.3000000000e-04  3.7733000000e-03 -3.7600000000e-04  5.3875000000e-03 -2.7409000000e-03
+
+JOB 20
+COORDS -4.7642100000e-01  1.1878690000e+00 -7.9632900000e-01 -7.6466000000e-02  4.4973700000e-01 -3.3651600000e-01 -1.2337140000e+00  8.1012500000e-01 -1.2435960000e+00  4.3268500000e-01 -1.0964120000e+00  7.6766600000e-01  8.6610900000e-01 -8.8930700000e-01  1.5956050000e+00  9.8775200000e-01 -1.7654330000e+00  3.6698800000e-01
+ENERGY -1.526618411383e+02
+FORCES  6.1600000000e-04 -9.6303000000e-03  4.6474000000e-03 -2.1694000000e-03  8.3424000000e-03 -5.7616000000e-03  2.3630000000e-03  1.0307000000e-03  9.1420000000e-04  3.3919000000e-03 -1.6005000000e-03  2.4710000000e-03 -1.5367000000e-03 -1.6524000000e-03 -4.5277000000e-03 -2.6647000000e-03  3.5101000000e-03  2.2567000000e-03
+
+JOB 21
+COORDS  1.1053170000e+00  5.3265000000e-02 -1.0016770000e+00  1.9892980000e+00 -8.8159000000e-02 -6.6284400000e-01  5.3287700000e-01 -9.9087000000e-02 -2.4979000000e-01 -1.1060210000e+00 -1.2430000000e-02  8.8897400000e-01 -1.5982230000e+00  4.3778600000e-01  1.5754690000e+00 -9.5963400000e-01 -8.9228400000e-01  1.2363330000e+00
+ENERGY -1.526584348022e+02
+FORCES -4.1291000000e-03  1.3380000000e-03  6.4741000000e-03 -3.6520000000e-03  1.4400000000e-04 -2.5970000000e-04  7.2146000000e-03 -4.7305000000e-03 -4.4732000000e-03 -3.1126000000e-03  1.3331000000e-03  3.6414000000e-03  1.5061000000e-03 -3.4689000000e-03 -2.5894000000e-03  2.1730000000e-03  5.3843000000e-03 -2.7932000000e-03
+
+JOB 22
+COORDS -2.0293800000e-01 -1.1922520000e+00 -7.3860400000e-01 -1.1978400000e-01 -1.3799620000e+00 -1.6735280000e+00  5.1155000000e-02 -2.0077370000e+00 -3.0657000000e-01  2.1886000000e-01  1.2263960000e+00  8.2366000000e-01  2.7689000000e-01  8.3904900000e-01 -4.9739000000e-02 -4.0274900000e-01  1.9476440000e+00  7.2550500000e-01
+ENERGY -1.526580050947e+02
+FORCES  1.0004000000e-03 -5.3981000000e-03  1.9459000000e-03 -6.6400000000e-05  2.2477000000e-03  4.5787000000e-03 -1.4498000000e-03  2.7617000000e-03 -3.4399000000e-03 -3.2497000000e-03 -4.6438000000e-03 -5.8503000000e-03  1.7526000000e-03  7.7844000000e-03  2.9844000000e-03  2.0129000000e-03 -2.7519000000e-03 -2.1880000000e-04
+
+JOB 23
+COORDS  7.1604700000e-01 -1.0780060000e+00  5.9053900000e-01  7.0640700000e-01 -1.4740840000e+00  1.4618950000e+00  1.6333680000e+00 -1.1160090000e+00  3.1978200000e-01 -8.2810700000e-01  1.1354980000e+00 -6.1434900000e-01 -9.7484000000e-02  1.4227830000e+00 -1.1619700000e+00 -5.4682600000e-01  2.9083200000e-01 -2.6270700000e-01
+ENERGY -1.526602463809e+02
+FORCES  3.1160000000e-03 -3.8330000000e-04  2.7760000000e-03  1.1524000000e-03  1.3840000000e-03 -4.1362000000e-03 -4.0727000000e-03  9.6400000000e-05  1.5609000000e-03  7.0055000000e-03 -6.7061000000e-03  2.5715000000e-03 -1.9879000000e-03 -5.5650000000e-04  1.3246000000e-03 -5.2133000000e-03  6.1655000000e-03 -4.0968000000e-03
+
+JOB 24
+COORDS  1.1614400000e-01 -7.0785000000e-02  1.4729530000e+00  1.0359950000e+00 -1.9151000000e-01  1.2373010000e+00  1.1204100000e-01  7.0423100000e-01  2.0347050000e+00 -1.6331000000e-01 -2.2014000000e-02 -1.5359960000e+00 -4.7715000000e-02  8.9763000000e-01 -1.7750030000e+00 -4.0495500000e-01 -7.8200000000e-04 -6.1004300000e-01
+ENERGY -1.526605402854e+02
+FORCES  5.1180000000e-03  1.6634000000e-03  3.2334000000e-03 -5.3751000000e-03  1.6244000000e-03  1.0408000000e-03  5.2500000000e-04 -3.3482000000e-03 -3.1956000000e-03 -1.8347000000e-03  3.1801000000e-03  7.3023000000e-03  1.0400000000e-04 -3.0108000000e-03  1.1200000000e-03  1.4628000000e-03 -1.0890000000e-04 -9.5010000000e-03
+
+JOB 25
+COORDS -6.6444100000e-01 -1.0281480000e+00 -9.0985900000e-01  6.0620000000e-02 -4.8867600000e-01 -5.9444300000e-01 -2.8496000000e-01 -1.5510720000e+00 -1.6161000000e+00  6.1201400000e-01  9.7830700000e-01  8.9661500000e-01 -5.1102000000e-02  1.0418440000e+00  1.5839800000e+00  1.0663220000e+00  1.8204160000e+00  9.2285800000e-01
+ENERGY -1.526607859185e+02
+FORCES  5.3210000000e-03  3.2783000000e-03  1.5509000000e-03 -4.1446000000e-03 -6.8976000000e-03 -5.4579000000e-03 -5.8390000000e-04  2.4377000000e-03  2.5354000000e-03 -2.3189000000e-03  3.7400000000e-03  3.3922000000e-03  3.9287000000e-03  8.8980000000e-04 -2.5416000000e-03 -2.2022000000e-03 -3.4482000000e-03  5.2100000000e-04
+
+JOB 26
+COORDS -1.0665600000e+00 -6.9068400000e-01 -9.3377100000e-01 -1.3459720000e+00  9.8289000000e-02 -4.6935400000e-01 -1.1040100000e-01 -6.6448600000e-01 -8.9764600000e-01  9.7387000000e-01  6.1217600000e-01  8.9463500000e-01  1.1299680000e+00  1.5489310000e+00  7.7482000000e-01  1.8024480000e+00  2.7206700000e-01  1.2322970000e+00
+ENERGY -1.526579336187e+02
+FORCES  6.3490000000e-03  5.3125000000e-03  6.8937000000e-03 -1.8968000000e-03 -1.6916000000e-03 -3.1611000000e-03 -3.3534000000e-03 -2.9203000000e-03 -4.1710000000e-03  3.9767000000e-03  2.2175000000e-03  2.5344000000e-03 -1.3941000000e-03 -4.6061000000e-03  2.0950000000e-04 -3.6813000000e-03  1.6880000000e-03 -2.3054000000e-03
+
+JOB 27
+COORDS  8.7333600000e-01  1.2192860000e+00  1.7469400000e-01  1.0752670000e+00  1.6383490000e+00 -6.6187100000e-01  8.3702000000e-02  1.6646980000e+00  4.8180600000e-01 -9.0269500000e-01 -1.2811400000e+00 -1.3052600000e-01 -2.2600000000e-01 -8.4177600000e-01  3.8452200000e-01 -4.6429000000e-01 -1.5227860000e+00 -9.4639400000e-01
+ENERGY -1.526585810855e+02
+FORCES -3.5004000000e-03  4.2758000000e-03 -3.8404000000e-03 -7.7290000000e-04 -1.5249000000e-03  3.6175000000e-03  4.0619000000e-03 -2.6532000000e-03 -8.6330000000e-04  8.2344000000e-03  4.2768000000e-03 -1.4891000000e-03 -5.7395000000e-03 -4.4406000000e-03  5.2450000000e-04 -2.2835000000e-03  6.6100000000e-05  2.0508000000e-03
+
+JOB 28
+COORDS  3.7221600000e-01  1.1702170000e+00 -1.0036880000e+00  7.1049100000e-01  7.2985100000e-01 -2.2402100000e-01 -5.3701300000e-01  1.3767540000e+00 -7.8717800000e-01 -2.8002800000e-01 -1.1298320000e+00  9.4494800000e-01 -7.7969900000e-01 -1.3552340000e+00  1.7296480000e+00 -8.3205400000e-01 -1.4178840000e+00  2.1795100000e-01
+ENERGY -1.526589245152e+02
+FORCES -2.3678000000e-03 -3.0570000000e-03  7.6138000000e-03  7.9950000000e-04  4.3238000000e-03 -5.4729000000e-03  2.2813000000e-03 -5.1360000000e-04 -2.1959000000e-03 -4.0690000000e-03 -3.6343000000e-03 -2.7270000000e-04  1.6088000000e-03  1.1839000000e-03 -3.9826000000e-03  1.7472000000e-03  1.6972000000e-03  4.3104000000e-03
+
+JOB 29
+COORDS -4.0777000000e-01  1.4452460000e+00  4.9145900000e-01  2.5168400000e-01  1.5548230000e+00  1.1765460000e+00 -5.6319300000e-01  5.0138700000e-01  4.5672500000e-01  3.4273200000e-01 -1.3898030000e+00 -4.8915500000e-01  1.2934020000e+00 -1.4970430000e+00 -4.5818600000e-01  1.2050600000e-01 -1.4852010000e+00 -1.4153010000e+00
+ENERGY -1.526590999407e+02
+FORCES  3.2170000000e-03 -7.8023000000e-03  7.2460000000e-04 -1.8390000000e-03 -7.3000000000e-06 -2.2842000000e-03 -2.6422000000e-03  7.5784000000e-03  2.4396000000e-03  4.1392000000e-03  2.6240000000e-04 -4.9264000000e-03 -4.0647000000e-03  2.6400000000e-05 -1.6210000000e-04  1.1897000000e-03 -5.7600000000e-05  4.2086000000e-03
+
+JOB 30
+COORDS  4.4784200000e-01 -1.4574030000e+00  2.3893800000e-01  1.0243280000e+00 -1.6129620000e+00  9.8706800000e-01  1.0289930000e+00 -1.1310370000e+00 -4.4807100000e-01 -5.1128800000e-01  1.5134450000e+00 -2.2613100000e-01 -2.3866900000e-01  8.2110100000e-01  3.7600800000e-01 -6.4080500000e-01  1.0666670000e+00 -1.0626990000e+00
+ENERGY -1.526580281954e+02
+FORCES  5.9021000000e-03 -2.5758000000e-03 -4.2590000000e-04 -3.0116000000e-03  1.8366000000e-03 -3.5085000000e-03 -4.1483000000e-03 -1.0550000000e-04  3.4983000000e-03 -8.0510000000e-04 -8.7454000000e-03  3.1120000000e-04  4.3610000000e-04  7.1589000000e-03 -1.6449000000e-03  1.6268000000e-03  2.4312000000e-03  1.7697000000e-03
+
+JOB 31
+COORDS  7.4013000000e-01  1.3160960000e+00 -5.1082100000e-01  1.3629790000e+00  1.5195600000e+00  1.8695600000e-01  2.4208400000e-01  5.6958800000e-01 -1.7779200000e-01 -7.3366800000e-01 -1.2184470000e+00  4.5711300000e-01 -7.0761700000e-01 -1.8934040000e+00  1.1353360000e+00 -1.0168590000e+00 -1.6813610000e+00 -3.3139600000e-01
+ENERGY -1.526609884003e+02
+FORCES -1.6561000000e-03 -5.6579000000e-03  5.7978000000e-03 -1.7266000000e-03 -3.8870000000e-04 -2.1922000000e-03  3.6774000000e-03  7.2973000000e-03 -4.7417000000e-03 -1.1086000000e-03 -5.4959000000e-03  5.9550000000e-04 -6.9780000000e-04  2.1245000000e-03 -3.5536000000e-03  1.5117000000e-03  2.1208000000e-03  4.0943000000e-03
+
+JOB 32
+COORDS -2.1706600000e-01  2.4479300000e-01 -1.4970200000e+00  4.6285400000e-01 -2.3140900000e-01 -1.9736450000e+00 -6.3048000000e-02  1.1642650000e+00 -1.7140010000e+00  1.3686000000e-01 -2.3792500000e-01  1.5868720000e+00  6.2652600000e-01 -1.0599060000e+00  1.6152760000e+00  1.9906800000e-01  4.7097000000e-02  6.7521200000e-01
+ENERGY -1.526595811734e+02
+FORCES  1.4390000000e-03  1.8862000000e-03 -6.6358000000e-03 -2.8749000000e-03  2.3728000000e-03  3.4208000000e-03 -1.1010000000e-04 -4.9202000000e-03  1.9249000000e-03  2.0400000000e-05 -1.6731000000e-03 -7.9032000000e-03 -1.2933000000e-03  2.6986000000e-03 -2.2270000000e-04  2.8189000000e-03 -3.6420000000e-04  9.4159000000e-03
+
+JOB 33
+COORDS -2.4239300000e-01  1.0760920000e+00  1.1108170000e+00  6.7559900000e-01  1.1008560000e+00  1.3808330000e+00 -6.4801200000e-01  4.3783700000e-01  1.6976180000e+00  2.6610700000e-01 -1.0814150000e+00 -1.1448800000e+00 -1.3735300000e-01 -4.2511300000e-01 -5.7679700000e-01 -2.7731100000e-01 -1.0834300000e+00 -1.9328670000e+00
+ENERGY -1.526605527427e+02
+FORCES  3.4906000000e-03  4.0590000000e-04  6.6888000000e-03 -4.9444000000e-03 -3.4120000000e-04 -1.1251000000e-03  2.0322000000e-03  2.2662000000e-03 -4.5954000000e-03 -3.6395000000e-03  5.6753000000e-03  1.0509000000e-03  1.4568000000e-03 -8.2236000000e-03 -5.0816000000e-03  1.6044000000e-03  2.1750000000e-04  3.0624000000e-03
+
+JOB 34
+COORDS -7.0253100000e-01 -1.3162540000e+00  3.8861500000e-01 -9.3352600000e-01 -1.3113540000e+00  1.3175120000e+00 -1.5435090000e+00 -1.2928820000e+00 -6.7940000000e-02  8.0592400000e-01  1.3667780000e+00 -4.0656200000e-01  7.8082900000e-01  5.5780600000e-01  1.0448200000e-01  8.3104000000e-02  1.2805160000e+00 -1.0281110000e+00
+ENERGY -1.526586068319e+02
+FORCES -5.9873000000e-03 -1.2050000000e-03  1.8090000000e-03  1.5422000000e-03  5.2690000000e-04 -4.5244000000e-03  3.8701000000e-03  3.0970000000e-04  1.9872000000e-03 -4.9190000000e-03 -7.9478000000e-03  4.7600000000e-05  3.5066000000e-03  6.4061000000e-03 -3.0820000000e-04  1.9873000000e-03  1.9102000000e-03  9.8870000000e-04
+
+JOB 35
+COORDS  1.1856570000e+00 -4.5665000000e-02  1.0589260000e+00  2.0659190000e+00  1.2379400000e-01  7.2328600000e-01  6.6889700000e-01  7.0542100000e-01  7.6727400000e-01 -1.1400270000e+00  1.5958000000e-02 -1.0301920000e+00 -1.5217480000e+00 -7.3279500000e-01 -1.4883300000e+00 -1.8514050000e+00  3.5172600000e-01 -4.8481800000e-01
+ENERGY -1.526544000323e+02
+FORCES -1.2299000000e-03  3.1868000000e-03 -6.2643000000e-03 -3.0623000000e-03 -8.5310000000e-04  1.4063000000e-03  2.7233000000e-03 -7.4810000000e-04  4.4859000000e-03 -3.4648000000e-03 -4.6348000000e-03  7.2390000000e-04  9.3390000000e-04  3.4727000000e-03  1.3965000000e-03  4.0998000000e-03 -4.2350000000e-04 -1.7484000000e-03
+
+JOB 36
+COORDS  9.0803500000e-01 -3.8943500000e-01 -1.3009830000e+00  1.4710610000e+00  3.0573000000e-01 -9.6042700000e-01  6.5833000000e-02  3.8205000000e-02 -1.4560660000e+00 -8.8136800000e-01  3.3682400000e-01  1.3586380000e+00 -9.9910700000e-01 -5.1457600000e-01  9.3734600000e-01 -9.6868400000e-01  9.7089100000e-01  6.4690300000e-01
+ENERGY -1.526532203034e+02
+FORCES  4.1090000000e-04  5.2353000000e-03  1.9661000000e-03 -2.6428000000e-03 -2.6871000000e-03 -2.5874000000e-03  2.0053000000e-03 -1.7764000000e-03  2.3705000000e-03  7.2120000000e-04 -2.9012000000e-03 -5.1696000000e-03 -1.4640000000e-03  4.4010000000e-03  2.0495000000e-03  9.6940000000e-04 -2.2717000000e-03  1.3709000000e-03
+
+JOB 37
+COORDS  2.0426500000e-01 -1.1947100000e+00 -9.9387300000e-01  1.0082040000e+00 -1.7133580000e+00 -1.0241550000e+00 -4.9954900000e-01 -1.8433750000e+00 -9.8328600000e-01 -2.4653200000e-01  1.2731940000e+00  1.0556880000e+00 -1.2263500000e-01  1.7972150000e+00  2.6430800000e-01  2.2732600000e-01  4.5993100000e-01  8.8163600000e-01
+ENERGY -1.526586687142e+02
+FORCES -1.4631000000e-03 -6.0057000000e-03 -2.0275000000e-03 -3.6379000000e-03  2.9024000000e-03  1.0357000000e-03  3.8277000000e-03  2.4345000000e-03 -2.9500000000e-04  2.2553000000e-03 -4.1025000000e-03 -7.1835000000e-03 -5.1750000000e-04 -2.1270000000e-04  3.4909000000e-03 -4.6450000000e-04  4.9840000000e-03  4.9795000000e-03
+
+JOB 38
+COORDS  1.5307550000e+00  3.2951100000e-01  2.2384200000e-01  1.3293980000e+00  1.2000120000e+00 -1.1954400000e-01  2.4432450000e+00  1.7925100000e-01 -2.3172000000e-02 -1.6231850000e+00 -3.9285200000e-01 -1.6626900000e-01 -8.8781600000e-01 -3.9400000000e-03  3.0724100000e-01 -1.3557550000e+00 -3.7050700000e-01 -1.0850800000e+00
+ENERGY -1.526571811535e+02
+FORCES  5.8063000000e-03  1.7678000000e-03 -1.9367000000e-03 -1.0272000000e-03 -4.9914000000e-03  1.5066000000e-03 -3.8769000000e-03  1.4463000000e-03  7.1700000000e-04  7.5681000000e-03 -8.5600000000e-05 -1.0290000000e-03 -6.3555000000e-03  1.2946000000e-03 -1.8376000000e-03 -2.1149000000e-03  5.6840000000e-04  2.5796000000e-03
+
+JOB 39
+COORDS -1.3714850000e+00  9.0977400000e-01 -4.0237800000e-01 -9.3953300000e-01  9.7728000000e-02 -6.6738800000e-01 -7.2932200000e-01  1.3534090000e+00  1.5174000000e-01  1.2485250000e+00 -8.9611100000e-01  3.6221900000e-01  2.0463690000e+00 -8.6774400000e-01 -1.6586500000e-01  1.5507940000e+00 -7.6505000000e-01  1.2609340000e+00
+ENERGY -1.526584170223e+02
+FORCES  7.3712000000e-03 -4.0241000000e-03  2.2905000000e-03 -4.6932000000e-03  3.7803000000e-03 -1.6861000000e-03 -3.3099000000e-03  7.3760000000e-04 -1.3393000000e-03  5.4552000000e-03 -6.9580000000e-04  2.5642000000e-03 -3.8096000000e-03  1.7730000000e-04  2.4396000000e-03 -1.0138000000e-03  2.4700000000e-05 -4.2689000000e-03
+
+JOB 40
+COORDS  5.0760500000e-01  2.9009300000e-01  1.4653820000e+00  1.2760840000e+00  6.8664300000e-01  1.8757730000e+00 -2.0971100000e-01  4.7285100000e-01  2.0722510000e+00 -5.5952200000e-01 -3.4098300000e-01 -1.5688600000e+00 -5.9360000000e-01  3.8227900000e-01 -9.4279000000e-01  2.7997200000e-01 -7.6762000000e-01 -1.3972130000e+00
+ENERGY -1.526581677178e+02
+FORCES  4.7870000000e-04  1.6046000000e-03  5.9864000000e-03 -3.5039000000e-03 -1.9112000000e-03 -1.8646000000e-03  3.3385000000e-03 -1.1800000000e-04 -3.0893000000e-03  4.9491000000e-03  1.2604000000e-03  7.0274000000e-03 -2.5817000000e-03 -1.4125000000e-03 -4.9715000000e-03 -2.6807000000e-03  5.7670000000e-04 -3.0884000000e-03
+
+JOB 41
+COORDS  2.3205900000e-01 -5.0647000000e-01  1.5187170000e+00  1.1262110000e+00 -3.0918600000e-01  1.7976490000e+00 -3.0916200000e-01  1.3865600000e-01  1.9738260000e+00 -3.0245500000e-01  4.4198300000e-01 -1.5639050000e+00  1.8001200000e-01  1.0812340000e+00 -2.0881340000e+00  2.6864900000e-01  2.6449600000e-01 -8.1652900000e-01
+ENERGY -1.526579696421e+02
+FORCES -6.9520000000e-04  2.0303000000e-03  6.6287000000e-03 -4.0936000000e-03 -1.3740000000e-04 -3.0172000000e-03  3.3640000000e-03 -2.8735000000e-03 -1.9440000000e-03  3.7569000000e-03 -4.0220000000e-04  3.3253000000e-03 -1.4957000000e-03 -2.3496000000e-03  2.6910000000e-03 -8.3650000000e-04  3.7324000000e-03 -7.6838000000e-03
+
+JOB 42
+COORDS  1.4018450000e+00 -8.0644400000e-01 -5.4549500000e-01  6.4847100000e-01 -4.6011700000e-01 -6.7252000000e-02  1.4586350000e+00 -2.6193600000e-01 -1.3306820000e+00 -1.3763440000e+00  6.9511900000e-01  5.4038500000e-01 -1.1581020000e+00  1.4800550000e+00  3.7913000000e-02 -1.3930510000e+00  9.8996200000e-01  1.4508900000e+00
+ENERGY -1.526588612894e+02
+FORCES -5.8876000000e-03  3.4253000000e-03 -1.4110000000e-04  8.0587000000e-03 -2.2379000000e-03 -3.1025000000e-03 -4.7600000000e-05 -1.3945000000e-03  2.7766000000e-03 -2.9674000000e-03  6.1232000000e-03  3.0013000000e-03  4.4500000000e-04 -4.6295000000e-03  2.0673000000e-03  3.9890000000e-04 -1.2867000000e-03 -4.6016000000e-03
+
+JOB 43
+COORDS -9.6926200000e-01  3.9783000000e-01  1.2588300000e+00 -1.7123850000e+00  8.8167200000e-01  1.6192420000e+00 -3.4201100000e-01  1.0750740000e+00  1.0055920000e+00  1.0132300000e+00 -4.8327500000e-01 -1.2138440000e+00  1.2271230000e+00  8.9635000000e-02 -1.9502240000e+00  1.0812200000e-01 -7.5096800000e-01 -1.3730610000e+00
+ENERGY -1.526561773164e+02
+FORCES  1.6726000000e-03  4.6753000000e-03  9.0350000000e-04  3.1491000000e-03 -2.0153000000e-03 -2.0218000000e-03 -4.5665000000e-03 -1.4217000000e-03  2.0653000000e-03 -4.0778000000e-03 -7.8620000000e-04 -3.2365000000e-03 -1.0803000000e-03 -1.6401000000e-03  3.6549000000e-03  4.9030000000e-03  1.1880000000e-03 -1.3656000000e-03
+
+JOB 44
+COORDS  5.3671300000e-01 -4.9241700000e-01 -1.4537630000e+00  1.0623920000e+00 -1.0612910000e+00 -8.9137900000e-01  1.0968730000e+00 -3.1888300000e-01 -2.2102940000e+00 -6.1677300000e-01  4.6151600000e-01  1.4835530000e+00 -1.0385700000e+00  1.3032270000e+00  1.6562990000e+00  1.2540300000e-01  6.7647100000e-01  9.1857400000e-01
+ENERGY -1.526559020287e+02
+FORCES  3.6150000000e-03 -4.0215000000e-03 -2.4188000000e-03 -1.7629000000e-03  4.3304000000e-03 -2.0449000000e-03 -2.6225000000e-03 -5.5270000000e-04  3.5798000000e-03  7.1970000000e-04  4.1786000000e-03 -4.5648000000e-03  1.6373000000e-03 -3.0544000000e-03 -4.1360000000e-04 -1.5866000000e-03 -8.8040000000e-04  5.8624000000e-03
+
+JOB 45
+COORDS -3.8409900000e-01  1.4014730000e+00  6.9753500000e-01  2.0550800000e-01  1.6507280000e+00  1.4092000000e+00 -1.1014820000e+00  2.0331870000e+00  7.4784000000e-01  4.1683200000e-01 -1.4312080000e+00 -6.9440100000e-01  3.0208000000e-01 -2.3436290000e+00 -9.6001500000e-01  6.9650000000e-03 -9.2393000000e-01 -1.3950510000e+00
+ENERGY -1.526536670279e+02
+FORCES  6.5150000000e-04  2.6238000000e-03  4.4613000000e-03 -2.8417000000e-03 -1.9880000000e-04 -2.8144000000e-03  2.8656000000e-03 -3.0649000000e-03 -7.9810000000e-04 -3.0688000000e-03  6.3410000000e-04 -3.6179000000e-03  3.5700000000e-04  3.8309000000e-03  1.4984000000e-03  2.0365000000e-03 -3.8252000000e-03  1.2708000000e-03
+
+JOB 46
+COORDS -5.1199800000e-01  1.6772710000e+00  1.2358800000e-01 -8.6672300000e-01  9.7500700000e-01 -4.2159800000e-01 -2.6425700000e-01  1.2448160000e+00  9.4080200000e-01  5.1892200000e-01 -1.6743470000e+00 -1.2669000000e-01  9.5404500000e-01 -9.5049100000e-01  3.2379100000e-01  4.7247000000e-02 -1.2588950000e+00 -8.4860000000e-01
+ENERGY -1.526530820745e+02
+FORCES -2.6412000000e-03 -3.9885000000e-03  2.3169000000e-03  3.2342000000e-03  1.8910000000e-03  1.0689000000e-03  7.0390000000e-04  1.4431000000e-03 -4.3679000000e-03  1.9566000000e-03  4.2445000000e-03 -2.4263000000e-03 -3.4702000000e-03 -2.9808000000e-03 -5.8200000000e-04  2.1670000000e-04 -6.0930000000e-04  3.9903000000e-03
+
+JOB 47
+COORDS  1.5070730000e+00  5.4289900000e-01 -6.6982700000e-01  1.5922940000e+00  5.0819100000e-01  2.8293900000e-01  7.9114800000e-01  1.1591590000e+00 -8.2444500000e-01 -1.4295860000e+00 -5.9316000000e-01  6.7607100000e-01 -2.1265350000e+00 -1.1093370000e+00  2.7103300000e-01 -1.4138940000e+00  2.2296800000e-01  1.7615000000e-01
+ENERGY -1.526530025922e+02
+FORCES -2.7136000000e-03  5.9840000000e-04  4.5904000000e-03  4.8880000000e-04  1.4807000000e-03 -4.4731000000e-03  1.2545000000e-03 -2.5843000000e-03  6.2290000000e-04 -2.4546000000e-03 -1.2340000000e-04 -4.9465000000e-03  2.7221000000e-03  2.3569000000e-03  1.8114000000e-03  7.0280000000e-04 -1.7284000000e-03  2.3948000000e-03
+
+JOB 48
+COORDS  2.5335500000e-01  9.9154200000e-01  1.3812710000e+00  9.5730700000e-01  1.6232810000e+00  1.5282010000e+00  1.9907400000e-01  9.0985900000e-01  4.2910800000e-01 -2.3327700000e-01 -9.6775700000e-01 -1.3629080000e+00 -3.0440000000e-01 -1.5097220000e+00 -5.7713000000e-01 -9.9202800000e-01 -1.2124330000e+00 -1.8926840000e+00
+ENERGY -1.526591696733e+02
+FORCES  2.3877000000e-03  2.1735000000e-03 -4.6613000000e-03 -2.6801000000e-03 -2.2760000000e-03 -6.7050000000e-04  8.1610000000e-04  1.7318000000e-03  7.2688000000e-03 -3.9247000000e-03 -5.2943000000e-03  2.4300000000e-05  1.2220000000e-04  3.0272000000e-03 -4.2736000000e-03  3.2788000000e-03  6.3770000000e-04  2.3124000000e-03
+
+JOB 49
+COORDS -4.4286000000e-02 -1.5808900000e-01  1.7340480000e+00 -6.4068200000e-01 -9.0586300000e-01  1.6969140000e+00 -5.3678300000e-01  5.6151300000e-01  1.3392690000e+00  1.4379000000e-01  2.0701300000e-01 -1.6722970000e+00 -4.6469300000e-01 -4.4953300000e-01 -1.3332860000e+00  2.1774700000e-01  6.5700000000e-03 -2.6053480000e+00
+ENERGY -1.526536329993e+02
+FORCES -3.2435000000e-03  1.4468000000e-03 -1.6086000000e-03  2.4410000000e-03  2.9281000000e-03 -1.1167000000e-03  1.0159000000e-03 -4.1371000000e-03  2.4295000000e-03 -9.4000000000e-04 -4.2509000000e-03 -2.3100000000e-03  9.5140000000e-04  3.3643000000e-03 -1.5390000000e-03 -2.2490000000e-04  6.4880000000e-04  4.1447000000e-03
+
+JOB 50
+COORDS -1.3218840000e+00 -9.2006000000e-02  1.2291330000e+00 -1.1290400000e+00  6.6725100000e-01  6.7906800000e-01 -1.8560620000e+00 -6.6064700000e-01  6.7457600000e-01  1.3900320000e+00  5.4617000000e-02 -1.1800840000e+00  5.1323000000e-01 -2.5095500000e-01 -1.4126280000e+00  1.2534390000e+00  9.3823200000e-01 -8.3832800000e-01
+ENERGY -1.526519489994e+02
+FORCES -1.3882000000e-03  3.0670000000e-04 -3.5671000000e-03 -1.6820000000e-04 -3.0766000000e-03  1.2147000000e-03  2.7451000000e-03  2.7043000000e-03  1.7871000000e-03 -3.6549000000e-03  1.4621000000e-03  1.6947000000e-03  2.9278000000e-03  2.0216000000e-03  5.0010000000e-04 -4.6160000000e-04 -3.4181000000e-03 -1.6295000000e-03
+
+JOB 51
+COORDS -7.0385500000e-01 -1.5666520000e+00 -4.0010400000e-01  2.2303400000e-01 -1.7710060000e+00 -5.2398700000e-01 -1.1601880000e+00 -2.1377110000e+00 -1.0180720000e+00  6.1476200000e-01  1.6001290000e+00  4.0666000000e-01  9.6271400000e-01  1.1313750000e+00  1.1652310000e+00  1.2338770000e+00  2.3156760000e+00  2.6201700000e-01
+ENERGY -1.526529850560e+02
+FORCES  2.1190000000e-03 -1.9138000000e-03 -3.8467000000e-03 -3.6481000000e-03 -8.2900000000e-05  1.2456000000e-03  1.8211000000e-03  2.3634000000e-03  2.5301000000e-03  2.9863000000e-03  7.6410000000e-04  3.2306000000e-03 -5.5850000000e-04  2.0826000000e-03 -3.4057000000e-03 -2.7198000000e-03 -3.2134000000e-03  2.4590000000e-04
+
+JOB 52
+COORDS -9.8918000000e-01 -1.5180560000e+00  3.3261000000e-02 -2.8636900000e-01 -1.2538340000e+00 -5.6043600000e-01 -1.5194790000e+00 -2.1283240000e+00 -4.7917300000e-01  1.0035520000e+00  1.4996900000e+00  4.5200000000e-04  6.5298000000e-02  1.6559960000e+00  1.0759700000e-01  1.4203400000e+00  2.1266830000e+00  5.9155200000e-01
+ENERGY -1.526568130887e+02
+FORCES  2.0472000000e-03 -1.8276000000e-03 -4.3588000000e-03 -4.8586000000e-03 -2.0085000000e-03  1.9855000000e-03  2.1648000000e-03  2.5617000000e-03  2.0328000000e-03 -2.1639000000e-03  3.4808000000e-03  4.0971000000e-03  4.6225000000e-03 -6.1200000000e-05 -1.2899000000e-03 -1.8120000000e-03 -2.1453000000e-03 -2.4667000000e-03
+
+JOB 53
+COORDS  4.8083100000e-01 -3.6661900000e-01  1.7296650000e+00  1.0790490000e+00 -1.1131630000e+00  1.7619220000e+00  1.0001830000e+00  3.4073300000e-01  1.3473590000e+00 -6.0527800000e-01  3.4179100000e-01 -1.7198570000e+00 -4.2250000000e-02  8.0952300000e-01 -2.3366700000e+00 -8.6539000000e-02  2.8438700000e-01 -9.1745600000e-01
+ENERGY -1.526544370938e+02
+FORCES  5.1714000000e-03 -1.1810000000e-03  1.9017000000e-03 -2.6469000000e-03  3.7550000000e-03 -3.4530000000e-04 -3.5409000000e-03 -3.6319000000e-03 -1.0656000000e-03  3.2809000000e-03  7.4200000000e-04  1.7678000000e-03 -1.9660000000e-03 -1.9384000000e-03  3.0032000000e-03 -2.9850000000e-04  2.2543000000e-03 -5.2618000000e-03
+
+JOB 54
+COORDS  1.3250900000e-01  6.4177900000e-01  1.7061530000e+00  7.8180000000e-01  6.9517000000e-02  1.2972900000e+00  4.1531000000e-01  7.1266900000e-01  2.6178710000e+00 -1.6633400000e-01 -6.6996800000e-01 -1.7392270000e+00  1.6515300000e-01  7.1206000000e-02 -2.2461880000e+00 -8.6026600000e-01 -2.9745700000e-01 -1.1952370000e+00
+ENERGY -1.526573399985e+02
+FORCES  4.2294000000e-03 -2.3896000000e-03  2.4788000000e-03 -2.9712000000e-03  3.2653000000e-03  2.8316000000e-03 -8.5460000000e-04 -3.7050000000e-04 -3.7385000000e-03 -2.8393000000e-03  5.0276000000e-03 -2.8690000000e-04 -9.9310000000e-04 -3.2138000000e-03  2.0011000000e-03  3.4289000000e-03 -2.3189000000e-03 -3.2861000000e-03
+
+JOB 55
+COORDS -1.2268270000e+00  4.5719400000e-01 -1.3221070000e+00 -1.7028010000e+00  6.9275100000e-01 -5.2574500000e-01 -1.8849520000e+00  4.9793900000e-01 -2.0159680000e+00  1.2972980000e+00 -4.4437500000e-01  1.3628860000e+00  1.7191930000e+00 -1.2456970000e+00  1.0528540000e+00  6.4525400000e-01 -2.4149000000e-01  6.9213500000e-01
+ENERGY -1.526568250683e+02
+FORCES -6.0214000000e-03  1.8319000000e-03 -1.6459000000e-03  3.3230000000e-03 -1.7992000000e-03 -3.0262000000e-03  2.4233000000e-03  7.7800000000e-05  3.1007000000e-03 -8.5590000000e-04 -2.3344000000e-03 -5.6470000000e-03 -1.3089000000e-03  2.8881000000e-03  1.6879000000e-03  2.4399000000e-03 -6.6430000000e-04  5.5305000000e-03
+
+JOB 56
+COORDS -6.8691800000e-01  1.5074580000e+00 -1.0164710000e+00 -1.1615950000e+00  7.1830900000e-01 -7.5540300000e-01 -3.2457800000e-01  1.2959760000e+00 -1.8768300000e+00  6.6847000000e-01 -1.4148260000e+00  1.0883410000e+00  1.4974410000e+00 -1.8896770000e+00  1.1479600000e+00  2.6758100000e-01 -1.7324960000e+00  2.7926400000e-01
+ENERGY -1.526528006386e+02
+FORCES -1.0000000000e-06 -4.0021000000e-03 -1.1579000000e-03  1.5730000000e-03  2.6919000000e-03 -2.2486000000e-03 -1.5162000000e-03  5.4360000000e-04  3.4595000000e-03  2.8510000000e-03 -3.0282000000e-03 -2.7128000000e-03 -3.5579000000e-03  1.8602000000e-03 -2.6360000000e-04  6.5110000000e-04  1.9347000000e-03  2.9234000000e-03
+
+JOB 57
+COORDS  6.5409600000e-01  1.8186270000e+00  1.3372500000e-01  2.8400000000e-01  1.9979340000e+00 -7.3063000000e-01  1.5169080000e+00  1.4457730000e+00 -4.7292000000e-02 -7.0188400000e-01 -1.7782620000e+00 -1.1721300000e-01  1.3725000000e-01 -1.6150470000e+00  3.1342300000e-01 -1.0921270000e+00 -2.4958750000e+00  3.8175900000e-01
+ENERGY -1.526543462688e+02
+FORCES  8.3810000000e-04 -4.8660000000e-04 -5.1005000000e-03  2.1645000000e-03  1.9100000000e-05  3.6139000000e-03 -3.5087000000e-03  7.2890000000e-04  1.2827000000e-03  1.6001000000e-03 -1.2359000000e-03  4.7000000000e-03 -2.6787000000e-03 -1.8667000000e-03 -2.4186000000e-03  1.5847000000e-03  2.8413000000e-03 -2.0775000000e-03
+
+JOB 58
+COORDS -8.0145500000e-01  1.2415610000e+00 -1.2803660000e+00  8.7280000000e-02  1.4056040000e+00 -9.6497600000e-01 -1.0000820000e+00  1.9925650000e+00 -1.8396280000e+00  7.2739200000e-01 -1.3040850000e+00  1.3362940000e+00  1.6354700000e+00 -1.5765380000e+00  1.2044060000e+00  5.7867400000e-01 -6.3377200000e-01  6.6936500000e-01
+ENERGY -1.526536382293e+02
+FORCES  1.6602000000e-03  5.3708000000e-03 -2.1241000000e-03 -3.3964000000e-03 -2.8665000000e-03 -1.8960000000e-04  9.0720000000e-04 -3.2227000000e-03  2.3290000000e-03  1.9328000000e-03  9.9910000000e-04 -3.7080000000e-03 -3.6960000000e-03  1.4437000000e-03  5.2360000000e-04  2.5922000000e-03 -1.7244000000e-03  3.1693000000e-03
+
+JOB 59
+COORDS -1.6970640000e+00  2.3660900000e-01 -1.0622460000e+00 -1.4034050000e+00 -1.5593300000e-01 -1.8843810000e+00 -1.3437950000e+00 -3.3739800000e-01 -3.8257800000e-01  1.6021060000e+00 -2.0905600000e-01  1.0440180000e+00  2.1994610000e+00 -5.9897100000e-01  1.6822690000e+00  1.9718630000e+00  6.5578900000e-01  8.6638200000e-01
+ENERGY -1.526565100087e+02
+FORCES  3.7677000000e-03 -4.2996000000e-03  4.0690000000e-04 -1.4354000000e-03  1.6919000000e-03  2.7867000000e-03 -3.4204000000e-03  2.2174000000e-03 -3.6485000000e-03  4.5315000000e-03  2.6693000000e-03  2.1707000000e-03 -2.4249000000e-03  1.6727000000e-03 -2.7049000000e-03 -1.0185000000e-03 -3.9517000000e-03  9.8910000000e-04
+
+JOB 60
+COORDS  8.2660100000e-01  9.6422500000e-01 -1.5214830000e+00  1.5487380000e+00  9.1430400000e-01 -8.9517800000e-01  7.4441000000e-01  1.8971830000e+00 -1.7191320000e+00 -8.7476100000e-01 -1.0798660000e+00  1.5378180000e+00 -1.3704070000e+00 -2.6222400000e-01  1.5828650000e+00 -2.0294600000e-01 -9.1708900000e-01  8.7570000000e-01
+ENERGY -1.526555573446e+02
+FORCES  3.3791000000e-03  4.8357000000e-03 -9.0000000000e-05 -4.1706000000e-03 -5.5210000000e-04 -1.8379000000e-03  4.2970000000e-04 -4.0374000000e-03  9.8550000000e-04  1.8400000000e-04  4.2244000000e-03 -4.1774000000e-03  1.8303000000e-03 -3.2108000000e-03  7.1970000000e-04 -1.6524000000e-03 -1.2598000000e-03  4.4001000000e-03
+
+JOB 61
+COORDS -3.3005100000e-01 -1.7907750000e+00  7.2409400000e-01 -8.5123300000e-01 -2.3088520000e+00  1.1074500000e-01 -5.7243600000e-01 -2.1256360000e+00  1.5874300000e+00  3.9793900000e-01  1.8689710000e+00 -7.8910400000e-01 -3.8879200000e-01  2.1118700000e+00 -3.0096000000e-01  7.3768100000e-01  1.1008750000e+00 -3.2993600000e-01
+ENERGY -1.526567678945e+02
+FORCES -3.3881000000e-03 -4.7177000000e-03  8.9410000000e-04  2.0949000000e-03  2.0478000000e-03  2.9510000000e-03  8.7110000000e-04  1.5026000000e-03 -3.6753000000e-03 -1.9698000000e-03 -3.6830000000e-03  4.4004000000e-03  2.8424000000e-03 -1.2270000000e-04 -2.0703000000e-03 -4.5050000000e-04  4.9730000000e-03 -2.4998000000e-03
+
+JOB 62
+COORDS -9.4589500000e-01 -4.3457900000e-01  1.8540770000e+00 -1.2347110000e+00 -1.0960700000e-01  2.7068440000e+00 -1.7206560000e+00 -8.5708400000e-01  1.4833120000e+00  1.0602030000e+00  4.3371400000e-01 -1.8672150000e+00  4.1584900000e-01  9.4183600000e-01 -1.3744150000e+00  5.5532100000e-01  2.0906000000e-02 -2.5678690000e+00
+ENERGY -1.526542829616e+02
+FORCES -4.1114000000e-03 -1.1092000000e-03  2.7527000000e-03  1.1496000000e-03 -1.3064000000e-03 -3.6883000000e-03  3.1548000000e-03  2.1589000000e-03  1.1902000000e-03 -4.7371000000e-03  2.0530000000e-04  4.7130000000e-04  2.6189000000e-03 -1.5381000000e-03 -3.3866000000e-03  1.9252000000e-03  1.5895000000e-03  2.6606000000e-03
+
+JOB 63
+COORDS  8.0728300000e-01  1.3699280000e+00 -1.4779760000e+00  4.1138500000e-01  1.1340670000e+00 -2.3169440000e+00  1.5287700000e+00  7.5015800000e-01 -1.3703920000e+00 -7.7384700000e-01 -1.2910230000e+00  1.5566110000e+00 -1.6386950000e+00 -1.5735330000e+00  1.8540290000e+00 -7.5449100000e-01 -1.5163380000e+00  6.2650900000e-01
+ENERGY -1.526536325385e+02
+FORCES  1.9485000000e-03 -2.7884000000e-03 -2.6343000000e-03  1.3629000000e-03  6.0120000000e-04  3.6966000000e-03 -3.3187000000e-03  2.2851000000e-03 -8.3050000000e-04 -3.6969000000e-03 -1.1312000000e-03 -2.8395000000e-03  3.5270000000e-03  1.0244000000e-03 -1.1897000000e-03  1.7720000000e-04  8.9000000000e-06  3.7975000000e-03
+
+JOB 64
+COORDS -2.1372400000e+00 -4.7106300000e-01  2.2951000000e-02 -2.1887500000e+00  3.9007700000e-01  4.3770100000e-01 -1.9144410000e+00 -1.0683790000e+00  7.3695800000e-01  2.1484530000e+00  3.9841400000e-01 -7.5583000000e-02  1.2624880000e+00  6.7987400000e-01 -3.0378700000e-01  2.6330780000e+00  1.2134940000e+00  5.4861000000e-02
+ENERGY -1.526549619291e+02
+FORCES -3.7750000000e-04 -1.8300000000e-05  5.1115000000e-03  1.0483000000e-03 -3.2808000000e-03 -2.1700000000e-03 -1.1326000000e-03  2.8429000000e-03 -3.0833000000e-03 -1.8570000000e-03  4.0890000000e-03 -1.2384000000e-03  4.4376000000e-03 -3.6910000000e-04  1.7587000000e-03 -2.1188000000e-03 -3.2637000000e-03 -3.7840000000e-04
+
+JOB 65
+COORDS  1.6771290000e+00 -1.6424380000e+00  4.5494100000e-01  7.2091200000e-01 -1.6029040000e+00  4.7275500000e-01  1.9350390000e+00 -9.4389400000e-01 -1.4651600000e-01 -1.6058830000e+00  1.6553050000e+00 -3.9267800000e-01 -1.8697210000e+00  8.0873900000e-01 -3.2196000000e-02 -1.8961890000e+00  1.6288990000e+00 -1.3044110000e+00
+ENERGY -1.526540550257e+02
+FORCES -2.5689000000e-03  3.7571000000e-03 -2.2733000000e-03  3.3305000000e-03 -5.1800000000e-04 -9.4100000000e-05 -8.9910000000e-04 -3.4292000000e-03  2.3183000000e-03 -3.3694000000e-03 -2.6878000000e-03 -2.2270000000e-03  1.9934000000e-03  2.9842000000e-03 -1.6425000000e-03  1.5136000000e-03 -1.0630000000e-04  3.9186000000e-03
+
+JOB 66
+COORDS  1.7551530000e+00  9.6212000000e-01  1.3018140000e+00  1.2192000000e+00  1.6907500000e-01  1.3100240000e+00  2.4426690000e+00  7.9381900000e-01  1.9461960000e+00 -1.8264180000e+00 -9.0709400000e-01 -1.3109570000e+00 -1.5308570000e+00 -1.3491550000e+00 -2.1068580000e+00 -1.0273100000e+00 -5.4879600000e-01 -9.2458900000e-01
+ENERGY -1.526539670560e+02
+FORCES  1.1131000000e-03 -3.6516000000e-03  3.7126000000e-03  1.7847000000e-03  3.2512000000e-03 -1.2959000000e-03 -2.8611000000e-03  7.1470000000e-04 -2.7499000000e-03  4.3823000000e-03  2.7070000000e-04 -2.3782000000e-03 -1.2733000000e-03  1.6616000000e-03  3.4000000000e-03 -3.1458000000e-03 -2.2465000000e-03 -6.8850000000e-04
+
+JOB 67
+COORDS -1.5600660000e+00  1.6938320000e+00  8.9684600000e-01 -1.6215760000e+00  1.2739410000e+00  3.8860000000e-02 -2.1072000000e+00  2.4755970000e+00  8.2121900000e-01  1.5712620000e+00 -1.7025490000e+00 -8.9693900000e-01  1.8929740000e+00 -2.5750020000e+00 -6.6987300000e-01  1.7500790000e+00 -1.1713630000e+00 -1.2099000000e-01
+ENERGY -1.526551370315e+02
+FORCES -2.6578000000e-03  1.3762000000e-03 -4.0666000000e-03  1.9020000000e-04  2.0621000000e-03  3.8335000000e-03  2.1766000000e-03 -3.1442000000e-03  3.2470000000e-04  2.1945000000e-03 -1.3977000000e-03  4.4055000000e-03 -1.2456000000e-03  3.5019000000e-03 -9.7170000000e-04 -6.5780000000e-04 -2.3982000000e-03 -3.5254000000e-03
+
+JOB 68
+COORDS  1.3470360000e+00  1.7693020000e+00  9.7085000000e-01  2.2814140000e+00  1.7575410000e+00  1.1782900000e+00  1.1891000000e+00  2.6476190000e+00  6.2466100000e-01 -1.4098730000e+00 -1.8696930000e+00 -9.0920200000e-01 -1.9222210000e+00 -1.7290630000e+00 -1.7054150000e+00 -6.6766400000e-01 -1.2710180000e+00 -9.9254900000e-01
+ENERGY -1.526547563972e+02
+FORCES  3.3166000000e-03  3.8984000000e-03  1.9460000000e-04 -3.8950000000e-03  7.0400000000e-05 -1.0432000000e-03  6.6280000000e-04 -3.7684000000e-03  1.1890000000e-03  1.3327000000e-03  3.5553000000e-03 -2.9425000000e-03  1.9736000000e-03 -6.0290000000e-04  3.0887000000e-03 -3.3908000000e-03 -3.1529000000e-03 -4.8660000000e-04
+
+JOB 69
+COORDS  1.5721500000e+00 -1.9771040000e+00 -2.8460700000e-01  6.5567900000e-01 -2.1671820000e+00 -8.4146000000e-02  1.5780520000e+00 -1.7862160000e+00 -1.2225610000e+00 -1.4892280000e+00  2.0329680000e+00  3.2294600000e-01 -2.3521740000e+00  1.7592430000e+00  1.2094000000e-02 -1.1278590000e+00  1.2535690000e+00  7.4506100000e-01
+ENERGY -1.526539239820e+02
+FORCES -3.1767000000e-03 -2.8880000000e-04 -3.5231000000e-03  3.4748000000e-03  1.3057000000e-03 -4.9330000000e-04 -1.6380000000e-04 -9.4330000000e-04  4.0277000000e-03 -1.7918000000e-03 -3.9520000000e-03  8.6590000000e-04  3.6567000000e-03  8.9690000000e-04  1.1479000000e-03 -1.9992000000e-03  2.9815000000e-03 -2.0251000000e-03
+
+JOB 70
+COORDS  1.0607600000e-01  2.4432130000e+00 -6.8882500000e-01  4.8658900000e-01  2.0833360000e+00 -1.4900310000e+00 -3.1690000000e-01  3.2553180000e+00 -9.6776700000e-01 -1.2041700000e-01 -2.4353310000e+00  8.0209300000e-01 -6.0411000000e-01 -2.5750940000e+00 -1.1995000000e-02  6.8231800000e-01 -2.9455880000e+00  6.9492200000e-01
+ENERGY -1.526533669015e+02
+FORCES -1.2900000000e-04  1.6917000000e-03 -4.1842000000e-03 -1.5804000000e-03  1.4853000000e-03  3.1084000000e-03  1.7211000000e-03 -3.3575000000e-03  1.1445000000e-03  1.2238000000e-03 -2.2207000000e-03 -3.6638000000e-03  2.0342000000e-03  3.6110000000e-04  3.2160000000e-03 -3.2696000000e-03  2.0401000000e-03  3.7920000000e-04
+
+JOB 71
+COORDS  1.4193100000e-01  1.4392460000e+00  2.1189710000e+00  9.5964700000e-01  1.8190570000e+00  2.4403990000e+00 -2.5238200000e-01  1.0310550000e+00  2.8897700000e+00 -2.0982700000e-01 -1.4471900000e+00 -2.1944850000e+00 -3.3255000000e-02 -7.2494200000e-01 -1.5916480000e+00  6.0045000000e-01 -1.9567200000e+00 -2.2024140000e+00
+ENERGY -1.526550962196e+02
+FORCES  1.3936000000e-03  2.2550000000e-04  5.0123000000e-03 -3.2989000000e-03 -1.7180000000e-03 -1.4562000000e-03  1.8031000000e-03  1.6940000000e-03 -3.1921000000e-03  3.8503000000e-03  1.3430000000e-03  2.9026000000e-03 -5.7430000000e-04 -3.4270000000e-03 -3.1847000000e-03 -3.1737000000e-03  1.8824000000e-03 -8.2000000000e-05
+
+JOB 72
+COORDS -1.3110990000e+00  1.9517560000e+00  1.4668960000e+00 -2.1100720000e+00  1.4699180000e+00  1.2531040000e+00 -7.0262300000e-01  1.7326560000e+00  7.6121600000e-01  1.3422410000e+00 -1.8493870000e+00 -1.3892900000e+00  1.9048140000e+00 -2.4715380000e+00 -1.8504530000e+00  4.8000000000e-01 -2.2649880000e+00 -1.3823330000e+00
+ENERGY -1.526545206111e+02
+FORCES -2.6020000000e-04 -2.9558000000e-03 -3.8596000000e-03  3.0638000000e-03  1.8781000000e-03  8.8130000000e-04 -2.9832000000e-03  1.1646000000e-03  3.0123000000e-03 -7.2910000000e-04 -4.6613000000e-03 -1.9110000000e-03 -2.4155000000e-03  2.5145000000e-03  1.8629000000e-03  3.3242000000e-03  2.0598000000e-03  1.4100000000e-05
+
+JOB 73
+COORDS  1.2681750000e+00  2.5244140000e+00 -3.0142100000e-01  1.6663540000e+00  2.7569440000e+00 -1.1402390000e+00  1.8595780000e+00  1.8709500000e+00  7.2021000000e-02 -1.3350360000e+00 -2.5510860000e+00  2.8606300000e-01 -8.0807900000e-01 -2.5992230000e+00  1.0837040000e+00 -1.5885250000e+00 -1.6303500000e+00  2.2110000000e-01
+ENERGY -1.526545192648e+02
+FORCES  4.3311000000e-03 -1.4234000000e-03 -2.1852000000e-03 -1.6281000000e-03 -9.4660000000e-04  3.5135000000e-03 -2.6693000000e-03  2.5254000000e-03 -1.3556000000e-03  8.3260000000e-04  3.7990000000e-03  2.9701000000e-03 -1.9451000000e-03  1.2840000000e-04 -3.2604000000e-03  1.0788000000e-03 -4.0828000000e-03  3.1770000000e-04
+
+JOB 74
+COORDS  1.7532100000e-01 -2.7720530000e+00 -8.4749200000e-01  4.1027500000e-01 -2.4880120000e+00  3.5882000000e-02  3.8689800000e-01 -3.7054370000e+00 -8.6368800000e-01 -1.6451600000e-01  2.7446940000e+00  8.2318100000e-01 -1.0716160000e+00  2.8261380000e+00  5.2861600000e-01  1.5724800000e-01  3.6453910000e+00  8.6120100000e-01
+ENERGY -1.526543118456e+02
+FORCES  1.9728000000e-03 -2.2196000000e-03  3.7005000000e-03 -1.0411000000e-03 -1.6278000000e-03 -3.6525000000e-03 -8.8380000000e-04  3.7353000000e-03  2.0000000000e-05 -2.4418000000e-03  3.9701000000e-03 -1.3890000000e-03  3.7021000000e-03 -2.1120000000e-04  1.3996000000e-03 -1.3083000000e-03 -3.6468000000e-03 -7.8500000000e-05
+
+JOB 75
+COORDS -2.2157700000e-01  2.1159700000e+00 -2.0954040000e+00 -1.7519800000e-01  1.9391430000e+00 -1.1558230000e+00 -2.2791800000e-01  3.0709770000e+00 -2.1598490000e+00  1.9068300000e-01 -2.1786280000e+00  2.0957580000e+00  4.8862200000e-01 -1.2997580000e+00  1.8611270000e+00  4.4912300000e-01 -2.7256440000e+00  1.3539950000e+00
+ENERGY -1.526539119241e+02
+FORCES -1.2650000000e-04  3.5313000000e-03  3.3851000000e-03  1.1250000000e-04  3.5800000000e-04 -3.6886000000e-03  7.7900000000e-05 -3.9798000000e-03  2.9860000000e-04  2.3361000000e-03  1.0129000000e-03 -4.1008000000e-03 -1.3522000000e-03 -3.2334000000e-03  9.4410000000e-04 -1.0477000000e-03  2.3109000000e-03  3.1616000000e-03
+
+JOB 76
+COORDS -1.7007210000e+00 -2.7076140000e+00  2.6850500000e-01 -2.2131600000e+00 -2.7978300000e+00 -5.3492400000e-01 -9.5422800000e-01 -2.1637030000e+00  1.7225000000e-02  1.7380450000e+00  2.6341830000e+00 -2.1762300000e-01  1.2377770000e+00  2.8574940000e+00  5.6729500000e-01  1.4131810000e+00  3.2349640000e+00 -8.8826200000e-01
+ENERGY -1.526544801552e+02
+FORCES  1.2242000000e-03  1.8439000000e-03 -4.3468000000e-03  1.9783000000e-03  3.7410000000e-04  3.2687000000e-03 -3.3043000000e-03 -2.3175000000e-03  1.0801000000e-03 -3.1650000000e-03  3.7135000000e-03  6.3410000000e-04  2.0030000000e-03 -1.0297000000e-03 -3.3334000000e-03  1.2638000000e-03 -2.5844000000e-03  2.6973000000e-03
+
+JOB 77
+COORDS  2.9772550000e+00 -1.1869800000e-01 -1.5548460000e+00  2.8245860000e+00  5.4866300000e-01 -2.2238390000e+00  2.5442930000e+00  2.2249200000e-01 -7.7230800000e-01 -2.9466080000e+00  7.6662000000e-02  1.4902480000e+00 -2.2429170000e+00 -2.4696700000e-01  2.0526670000e+00 -3.6719650000e+00  2.5136200000e-01  2.0898890000e+00
+ENERGY -1.526541850605e+02
+FORCES -2.6609000000e-03  4.1422000000e-03  3.1980000000e-04  7.7340000000e-04 -2.6998000000e-03  2.7193000000e-03  1.9238000000e-03 -1.4447000000e-03 -3.0140000000e-03 -3.2590000000e-04 -8.1680000000e-04  4.7879000000e-03 -2.7169000000e-03  1.4978000000e-03 -2.3631000000e-03  3.0066000000e-03 -6.7860000000e-04 -2.4499000000e-03
+
+JOB 78
+COORDS -5.6446500000e-01  1.4334730000e+00  3.0565400000e+00  3.5116200000e-01  1.5785370000e+00  3.2949000000e+00 -9.8497400000e-01  2.2827370000e+00  3.1912820000e+00  5.5364700000e-01 -1.4982800000e+00 -3.1349560000e+00  7.6035400000e-01 -2.0624280000e+00 -2.3898110000e+00  7.0240000000e-03 -8.0438200000e-01 -2.7662550000e+00
+ENERGY -1.526544898298e+02
+FORCES  1.9739000000e-03  4.1749000000e-03  1.8006000000e-03 -3.7456000000e-03 -6.5080000000e-04 -1.0856000000e-03  1.7390000000e-03 -3.4934000000e-03 -6.1990000000e-04 -1.5262000000e-03  5.4960000000e-04  4.7492000000e-03 -7.1610000000e-04  2.2091000000e-03 -3.1385000000e-03  2.2750000000e-03 -2.7894000000e-03 -1.7058000000e-03
+
+JOB 79
+COORDS -1.1367000000e+00 -3.2669020000e+00  1.2791900000e+00 -2.0165500000e-01 -3.0905530000e+00  1.3832290000e+00 -1.4716760000e+00 -2.5098830000e+00  7.9862300000e-01  1.0522310000e+00  3.1990280000e+00 -1.2281890000e+00  1.1945610000e+00  3.9289920000e+00 -1.8307890000e+00  1.8997910000e+00  2.7565160000e+00 -1.1828340000e+00
+ENERGY -1.526542980163e+02
+FORCES  2.3557000000e-03  4.0073000000e-03 -1.5388000000e-03 -3.7119000000e-03 -8.1720000000e-04 -4.1760000000e-04  1.3771000000e-03 -3.2510000000e-03  1.9641000000e-03  4.0673000000e-03  1.4574000000e-03 -2.3520000000e-03 -5.5610000000e-04 -3.0276000000e-03  2.4707000000e-03 -3.5320000000e-03  1.6312000000e-03 -1.2640000000e-04
+
+JOB 80
+COORDS  1.8059650000e+00 -9.9256800000e-01  3.0648760000e+00  1.0627960000e+00 -1.2749140000e+00  3.5979920000e+00  2.4914790000e+00 -1.6345870000e+00  3.2495750000e+00 -1.8084570000e+00  9.8494200000e-01 -3.1386960000e+00 -2.4593800000e+00  1.5168470000e+00 -2.6808670000e+00 -9.9875300000e-01  1.4918410000e+00 -3.0781550000e+00
+ENERGY -1.526541650839e+02
+FORCES -2.7610000000e-04 -3.8997000000e-03  2.8452000000e-03  3.0419000000e-03  1.2122000000e-03 -2.1189000000e-03 -2.7709000000e-03  2.6515000000e-03 -7.1690000000e-04  8.3660000000e-04  4.1827000000e-03  2.3281000000e-03  2.5468000000e-03 -2.1518000000e-03 -1.9277000000e-03 -3.3784000000e-03 -1.9950000000e-03 -4.0970000000e-04
+
+JOB 81
+COORDS  1.7974300000e-01 -3.8180890000e+00  9.7072600000e-01  1.0487830000e+00 -3.8874730000e+00  5.7552000000e-01 -3.0879400000e-01 -4.5567000000e+00  6.0738400000e-01 -2.3066800000e-01  3.8688450000e+00 -9.8624600000e-01  4.8233500000e-01  4.3931080000e+00 -6.2154500000e-01 -4.5447900000e-01  3.2509360000e+00 -2.9030800000e-01
+ENERGY -1.526542636498e+02
+FORCES  1.5186000000e-03 -3.3746000000e-03 -3.1693000000e-03 -3.5290000000e-03  3.2100000000e-04  1.6585000000e-03  2.0069000000e-03  3.0094000000e-03  1.5080000000e-03  1.9364000000e-03 -5.1270000000e-04  4.3971000000e-03 -2.8699000000e-03 -2.0922000000e-03 -1.5187000000e-03  9.3710000000e-04  2.6491000000e-03 -2.8756000000e-03
+
+JOB 82
+COORDS -5.6483600000e-01 -3.3616850000e+00  2.7485210000e+00 -2.5502700000e-01 -2.9010200000e+00  1.9687530000e+00 -1.4967160000e+00 -3.1488000000e+00  2.7986380000e+00  6.1132900000e-01  3.2627430000e+00 -2.6969550000e+00  1.3149600000e-01  3.6708420000e+00 -3.4176820000e+00  8.2335100000e-01  3.9876490000e+00 -2.1089170000e+00
+ENERGY -1.526542678399e+02
+FORCES -2.4838000000e-03  2.8141000000e-03 -3.0867000000e-03 -1.2878000000e-03 -1.9449000000e-03  3.2577000000e-03  3.7559000000e-03 -8.9600000000e-04 -1.4420000000e-04 -1.0047000000e-03  4.7115000000e-03 -6.1850000000e-04  1.9273000000e-03 -1.6893000000e-03  2.9677000000e-03 -9.0690000000e-04 -2.9953000000e-03 -2.3759000000e-03
+
+JOB 83
+COORDS  2.1267760000e+00  1.8579310000e+00 -3.2995460000e+00  1.2035490000e+00  2.0865260000e+00 -3.4073790000e+00  2.4892500000e+00  1.8995120000e+00 -4.1844840000e+00 -2.0281900000e+00 -1.8924620000e+00  3.3826090000e+00 -2.5731440000e+00 -1.1706450000e+00  3.6960360000e+00 -2.5144970000e+00 -2.2566910000e+00  2.6429650000e+00
+ENERGY -1.526539344602e+02
+FORCES -2.2460000000e-03  1.0831000000e-03 -4.0132000000e-03  3.7348000000e-03 -9.2990000000e-04  4.2760000000e-04 -1.4962000000e-03 -1.6580000000e-04  3.6085000000e-03 -4.1072000000e-03  1.4892000000e-03 -1.7799000000e-03  2.1847000000e-03 -2.9560000000e-03 -1.2736000000e-03  1.9300000000e-03  1.4794000000e-03  3.0307000000e-03
+
+JOB 84
+COORDS -3.5771930000e+00 -2.3039930000e+00  2.0837920000e+00 -3.6821470000e+00 -3.1102590000e+00  2.5889170000e+00 -4.2896670000e+00 -2.3265620000e+00  1.4449620000e+00  3.6566530000e+00  2.3937350000e+00 -2.0595140000e+00  3.1903510000e+00  2.2436800000e+00 -2.8818750000e+00  3.4390670000e+00  1.6347920000e+00 -1.5183180000e+00
+ENERGY -1.526541641320e+02
+FORCES -3.4109000000e-03 -3.3717000000e-03 -4.5870000000e-04  4.5050000000e-04  3.2848000000e-03 -2.0919000000e-03  2.9477000000e-03  8.9000000000e-05  2.5675000000e-03 -2.8803000000e-03 -3.7258000000e-03 -1.0506000000e-03  1.9320000000e-03  6.2600000000e-04  3.2976000000e-03  9.6090000000e-04  3.0977000000e-03 -2.2638000000e-03
+
+JOB 85
+COORDS  3.7309930000e+00 -2.7456950000e+00 -2.4875880000e+00  2.7778470000e+00 -2.6831800000e+00 -2.4256390000e+00  3.9062890000e+00 -3.6845540000e+00 -2.5512050000e+00 -3.7122170000e+00  2.7843560000e+00  2.5496320000e+00 -2.8066830000e+00  2.6783530000e+00  2.2580780000e+00 -4.1660600000e+00  3.1555250000e+00  1.7929990000e+00
+ENERGY -1.526540912132e+02
+FORCES -3.1336000000e-03 -3.6430000000e-03 -9.6000000000e-06  3.8679000000e-03 -1.9690000000e-04 -2.4600000000e-04 -7.2680000000e-04  3.8458000000e-03  2.5470000000e-04  1.8667000000e-03  1.1489000000e-03 -4.2469000000e-03 -3.7179000000e-03  3.9010000000e-04  1.1714000000e-03  1.8437000000e-03 -1.5451000000e-03  3.0764000000e-03
+
+JOB 86
+COORDS -3.3091190000e+00 -2.0466040000e+00  4.2017080000e+00 -2.9998090000e+00 -1.3620470000e+00  4.7949540000e+00 -2.8688450000e+00 -2.8416080000e+00  4.5023070000e+00  3.2273910000e+00  2.0467260000e+00 -4.2070880000e+00  4.1566200000e+00  2.2703100000e+00 -4.1544060000e+00  3.0659880000e+00  1.9100670000e+00 -5.1406320000e+00
+ENERGY -1.526540314715e+02
+FORCES  3.1155000000e-03 -4.1030000000e-04  3.5835000000e-03 -1.2881000000e-03 -2.8096000000e-03 -2.3821000000e-03 -1.8184000000e-03  3.2237000000e-03 -1.2014000000e-03  3.0921000000e-03  3.4230000000e-04 -3.6040000000e-03 -3.7812000000e-03 -9.1050000000e-04 -2.0330000000e-04  6.8010000000e-04  5.6450000000e-04  3.8073000000e-03
+
+JOB 87
+COORDS  5.6191940000e+00  2.9549330000e+00  8.5453300000e-01  5.4495170000e+00  3.4794900000e+00  1.6370170000e+00  5.3727820000e+00  3.5244590000e+00  1.2573100000e-01 -5.6379350000e+00 -3.0617180000e+00 -8.7077400000e-01 -5.1357070000e+00 -2.8832020000e+00 -7.5707000000e-02 -5.4413550000e+00 -2.3249120000e+00 -1.4493110000e+00
+ENERGY -1.526540763933e+02
+FORCES -1.6332000000e-03  4.4826000000e-03  2.2180000000e-04  6.6300000000e-04 -2.1506000000e-03 -3.1976000000e-03  9.7310000000e-04 -2.3361000000e-03  2.9756000000e-03  2.8846000000e-03  3.7110000000e-03  8.8240000000e-04 -2.0692000000e-03 -7.1480000000e-04 -3.2408000000e-03 -8.1830000000e-04 -2.9921000000e-03  2.3587000000e-03
+
+JOB 88
+COORDS -6.1943620000e+00  7.3247800000e-01  2.3265480000e+00 -6.1546240000e+00 -1.6626800000e-01  1.9995790000e+00 -7.0470340000e+00  1.0560980000e+00  2.0359400000e+00  6.2483370000e+00 -7.0229200000e-01 -2.3640750000e+00  5.4831860000e+00 -9.5296000000e-01 -1.8464450000e+00  6.8513940000e+00 -3.1565700000e-01 -1.7291980000e+00
+ENERGY -1.526541078184e+02
+FORCES -3.3445000000e-03 -2.3358000000e-03 -2.5260000000e-03 -1.4200000000e-04  3.6622000000e-03  1.3387000000e-03  3.4832000000e-03 -1.3240000000e-03  1.1885000000e-03 -6.7540000000e-04  5.7950000000e-04  4.7157000000e-03  3.1266000000e-03  1.0036000000e-03 -2.1218000000e-03 -2.4479000000e-03 -1.5855000000e-03 -2.5951000000e-03
+
+JOB 89
+COORDS  1.6471540000e+00 -5.2710730000e+00  3.9980140000e+00  1.7615690000e+00 -5.6704480000e+00  3.1356680000e+00  1.4473770000e+00 -6.0057610000e+00  4.5781460000e+00 -1.6965930000e+00  5.3035990000e+00 -4.0266440000e+00 -1.6593630000e+00  5.8627470000e+00 -3.2506300000e+00 -8.1528800000e-01  4.9375760000e+00 -4.1012130000e+00
+ENERGY -1.526541035750e+02
+FORCES -3.6630000000e-04 -4.6406000000e-03 -1.1480000000e-03 -4.5590000000e-04  1.6384000000e-03  3.5154000000e-03  8.2150000000e-04  2.9994000000e-03 -2.3656000000e-03  3.7486000000e-03  7.7230000000e-04  2.8937000000e-03 -1.5460000000e-04 -2.2672000000e-03 -3.1789000000e-03 -3.5933000000e-03  1.4977000000e-03  2.8340000000e-04
+
+JOB 0
+COORDS -1.1519120000e+00 -4.4100400000e-01  3.5095000000e-02 -1.2695730000e+00 -5.8817500000e-01 -9.0337600000e-01 -1.2190600000e+00 -1.3126200000e+00  4.2497800000e-01  1.2143060000e+00  4.7918500000e-01  3.0141000000e-02  1.1511070000e+00  1.2935240000e+00 -4.6894800000e-01  3.5989600000e-01  6.2354000000e-02 -8.1519000000e-02
+ENERGY -1.526539472871e+02
+FORCES  1.2778000000e-02  2.3169000000e-03  1.2155000000e-03  5.4998000000e-03  2.3390000000e-03  6.1558000000e-03  1.0878000000e-03  5.1536000000e-03 -3.5350000000e-03 -2.4682600000e-02 -7.2987000000e-03  1.8534000000e-03 -1.9861000000e-03 -3.2232000000e-03  3.0570000000e-04  7.3031000000e-03  7.1240000000e-04 -5.9954000000e-03
+
+JOB 1
+COORDS -8.9423900000e-01  8.4845600000e-01  1.1513000000e-02 -1.7990660000e+00  1.0583820000e+00  2.4270700000e-01 -6.6585400000e-01  1.4848100000e+00 -6.6607500000e-01  9.6471100000e-01 -9.3008400000e-01  7.5162000000e-02  1.0779410000e+00 -1.2765100000e+00 -8.0993600000e-01  4.0740200000e-01 -1.6012100000e-01 -3.7960000000e-02
+ENERGY -1.526542510253e+02
+FORCES  5.3554000000e-03 -1.0158100000e-02  2.5325000000e-03  4.3416000000e-03  1.3113000000e-03 -2.9681000000e-03  3.4580000000e-04 -6.0182000000e-03  3.4298000000e-03 -1.5120400000e-02  1.0498900000e-02 -3.9960000000e-04 -1.4187000000e-03  2.7467000000e-03  1.9475000000e-03  6.4962000000e-03  1.6193000000e-03 -4.5421000000e-03
+
+JOB 2
+COORDS  1.0836900000e-01  1.2629130000e+00 -4.0166800000e-01 -8.0289100000e-01  1.5159560000e+00 -5.4933800000e-01  2.2072300000e-01  4.6143500000e-01 -9.1278600000e-01 -2.8470000000e-03 -1.2425640000e+00  4.1734400000e-01 -5.1998600000e-01 -1.8329900000e+00  9.6524600000e-01 -6.0766900000e-01 -5.3722700000e-01  1.8729700000e-01
+ENERGY -1.526487851305e+02
+FORCES  1.8892000000e-03 -6.8294000000e-03 -1.0780000000e-03  3.6404000000e-03 -5.6191000000e-03  3.5143000000e-03 -7.2278000000e-03  4.8630000000e-04  6.9243000000e-03 -9.3930000000e-04  9.7401000000e-03  1.0766000000e-03  1.0747000000e-03  4.8937000000e-03 -1.7299000000e-03  1.5629000000e-03 -2.6716000000e-03 -8.7072000000e-03
+
+JOB 3
+COORDS -1.1077080000e+00  8.7822000000e-02  6.9192200000e-01 -9.0827300000e-01  3.6367400000e-01  1.5865520000e+00 -1.4939450000e+00 -7.8252800000e-01  7.8961600000e-01  1.1691280000e+00 -2.1706000000e-02 -7.5336600000e-01  2.8706900000e-01  3.0911700000e-01 -5.8377700000e-01  1.0449280000e+00 -9.5274700000e-01 -9.3767700000e-01
+ENERGY -1.526569325112e+02
+FORCES  8.0551000000e-03 -3.0505000000e-03  9.1250000000e-04 -2.1421000000e-03 -1.8680000000e-03 -3.8143000000e-03  2.4136000000e-03  3.6721000000e-03 -3.4150000000e-04 -1.4485900000e-02 -2.2144000000e-03  7.8708000000e-03  5.5014000000e-03  1.5705000000e-03 -5.0670000000e-03  6.5780000000e-04  1.8903000000e-03  4.3950000000e-04
+
+JOB 4
+COORDS -1.2897900000e-01 -1.2432440000e+00 -5.4772400000e-01 -9.7911600000e-01 -1.1925770000e+00 -1.1076800000e-01 -2.9925900000e-01 -9.4086100000e-01 -1.4398010000e+00  2.3134900000e-01  1.2630980000e+00  5.4385500000e-01  3.2230000000e-02  3.5620100000e-01  3.1121700000e-01 -2.0308900000e-01  1.3956460000e+00  1.3864260000e+00
+ENERGY -1.526565920129e+02
+FORCES -2.7772000000e-03  2.7757000000e-03 -4.0060000000e-03  7.6210000000e-03  5.5217000000e-03  4.4510000000e-04  6.6730000000e-04 -1.2819000000e-03  5.8952000000e-03  5.9220000000e-04 -1.2367400000e-02 -3.1356000000e-03 -6.4046000000e-03  8.2903000000e-03  4.3947000000e-03  3.0130000000e-04 -2.9384000000e-03 -3.5934000000e-03
+
+JOB 5
+COORDS -7.5716200000e-01  6.3081000000e-02 -1.1886410000e+00 -2.6235700000e-01  3.0087800000e-01 -4.0451600000e-01 -1.3127800000e-01 -4.1686900000e-01 -1.7309970000e+00  6.5981300000e-01 -9.3564000000e-02  1.1511200000e+00  4.2028800000e-01  6.5446100000e-01  1.6982210000e+00  1.6133560000e+00 -4.5371000000e-02  1.0828190000e+00
+ENERGY -1.526577574491e+02
+FORCES  1.0122500000e-02 -3.8045000000e-03  1.1840900000e-02 -5.0217000000e-03  5.0327000000e-03 -6.2369000000e-03 -1.4064000000e-03  1.5266000000e-03  1.0538000000e-03  9.6170000000e-04  6.4450000000e-04 -4.6410000000e-04  8.7220000000e-04 -3.4748000000e-03 -5.7010000000e-03 -5.5283000000e-03  7.5500000000e-05 -4.9270000000e-04
+
+JOB 6
+COORDS -7.8617700000e-01 -8.2910900000e-01  6.7847500000e-01 -1.0278020000e+00 -1.6227080000e+00  2.0092900000e-01 -1.6186790000e+00 -4.7290500000e-01  9.8878300000e-01  8.5929900000e-01  8.2604800000e-01 -7.3192100000e-01  3.8359700000e-01  3.6835000000e-01 -3.8775000000e-02  1.0159910000e+00  1.7014110000e+00 -3.7777400000e-01
+ENERGY -1.526602846979e+02
+FORCES -5.5870000000e-04  8.2440000000e-04 -5.9469000000e-03 -4.7120000000e-04  3.6073000000e-03  3.4396000000e-03  4.0505000000e-03 -1.7550000000e-03 -1.6811000000e-03 -7.1502000000e-03 -6.9869000000e-03  7.7472000000e-03  6.2714000000e-03  7.5703000000e-03 -3.8342000000e-03 -2.1418000000e-03 -3.2602000000e-03  2.7540000000e-04
+
+JOB 7
+COORDS  6.7562200000e-01 -9.6256000000e-01  7.8381900000e-01  6.5260000000e-02 -2.9645200000e-01  4.6760600000e-01  7.6935300000e-01 -7.7789900000e-01  1.7183490000e+00 -6.7731000000e-01  9.0631600000e-01 -7.5936900000e-01 -8.4833900000e-01  4.2822100000e-01 -1.5707920000e+00  5.1958000000e-02  1.4883740000e+00 -9.7293100000e-01
+ENERGY -1.526614672197e+02
+FORCES -7.3134000000e-03  8.3769000000e-03 -4.2892000000e-03  6.2640000000e-03 -7.1535000000e-03  6.2431000000e-03 -8.6790000000e-04  1.0972000000e-03 -3.5253000000e-03  4.3964000000e-03 -1.9366000000e-03 -3.8587000000e-03  1.3210000000e-03  2.8596000000e-03  4.1159000000e-03 -3.8001000000e-03 -3.2436000000e-03  1.3142000000e-03
+
+JOB 8
+COORDS -5.8920000000e-03  1.0138490000e+00 -8.7013700000e-01 -9.2457200000e-01  8.7052400000e-01 -1.0975520000e+00  1.3610500000e-01  1.9481230000e+00 -1.0224540000e+00 -2.8060000000e-03 -1.1046440000e+00  9.0148700000e-01  8.4124100000e-01 -1.1655590000e+00  1.3488190000e+00  7.6854000000e-02 -3.3138700000e-01  3.4295300000e-01
+ENERGY -1.526603882777e+02
+FORCES -1.6493000000e-03  7.5090000000e-04  1.8961000000e-03  5.6342000000e-03  6.5870000000e-04  2.6634000000e-03 -1.8780000000e-03 -4.2441000000e-03 -6.1970000000e-04  4.2609000000e-03  9.8022000000e-03 -6.0970000000e-03 -2.1725000000e-03  7.1120000000e-04 -1.2836000000e-03 -4.1954000000e-03 -7.6789000000e-03  3.4408000000e-03
+
+JOB 9
+COORDS  1.9312400000e-01 -6.3297300000e-01  1.1760690000e+00  9.0392800000e-01 -2.0948400000e-01  1.6573670000e+00 -4.2228000000e-01 -9.1269000000e-01  1.8537620000e+00 -1.9686900000e-01  6.5928300000e-01 -1.3008780000e+00  1.0358800000e-01 -2.3265700000e-01 -1.1265210000e+00 -5.5680600000e-01  9.5877900000e-01 -4.6602500000e-01
+ENERGY -1.526583059827e+02
+FORCES  1.4139000000e-03  7.8590000000e-04  2.1518000000e-03 -4.1708000000e-03 -1.7479000000e-03 -2.0586000000e-03  2.7047000000e-03  2.4749000000e-03 -3.3948000000e-03  6.5850000000e-04 -6.9532000000e-03  1.1927600000e-02  2.1290000000e-04  1.8823000000e-03 -5.1376000000e-03 -8.1910000000e-04  3.5581000000e-03 -3.4884000000e-03
+
+JOB 10
+COORDS -1.1040000000e+00  6.0150100000e-01 -5.6286300000e-01 -1.5682100000e+00  4.9903900000e-01  2.6794500000e-01 -1.2282090000e+00  1.5217130000e+00 -7.9527300000e-01  1.1996510000e+00 -6.7736200000e-01  5.5421300000e-01  3.2270100000e-01 -7.8155600000e-01  9.2344600000e-01  1.0743980000e+00 -1.0750000000e-01 -2.0460300000e-01
+ENERGY -1.526556532635e+02
+FORCES -1.5928000000e-03  2.3927000000e-03  3.8661000000e-03  3.8418000000e-03 -1.0196000000e-03 -3.0805000000e-03  1.4712000000e-03 -4.5189000000e-03  1.1498000000e-03 -1.0360900000e-02  5.2525000000e-03 -6.1516000000e-03  7.7920000000e-04 -5.7400000000e-04  2.3501000000e-03  5.8615000000e-03 -1.5327000000e-03  1.8661000000e-03
+
+JOB 11
+COORDS  9.4342000000e-01 -7.6497500000e-01  7.4364900000e-01  1.7443640000e+00 -1.2248620000e+00  4.9220400000e-01  5.0341100000e-01 -5.7835300000e-01 -8.5685000000e-02 -9.6981900000e-01  7.1443600000e-01 -6.4298300000e-01 -8.0008400000e-01  8.0262200000e-01 -1.5808770000e+00 -1.0129870000e+00  1.6148940000e+00 -3.2120200000e-01
+ENERGY -1.526574212693e+02
+FORCES -5.5815000000e-03  3.4742000000e-03 -5.2872000000e-03 -3.7188000000e-03  2.6451000000e-03 -8.6850000000e-04  7.4751000000e-03 -5.7710000000e-03  1.2553000000e-03  1.1805000000e-03  5.4354000000e-03  2.6846000000e-03  1.5814000000e-03 -2.2164000000e-03  5.3501000000e-03 -9.3670000000e-04 -3.5673000000e-03 -3.1342000000e-03
+
+JOB 12
+COORDS -5.4164500000e-01 -8.0489300000e-01  9.9872200000e-01 -1.0720940000e+00 -1.0113720000e+00  2.2916300000e-01 -2.5098200000e-01 -1.6564020000e+00  1.3253410000e+00  5.1066500000e-01  8.7375400000e-01 -1.0327330000e+00  1.2428220000e+00  1.4679120000e+00 -8.6794700000e-01  5.0787200000e-01  2.8192500000e-01 -2.8042800000e-01
+ENERGY -1.526606981681e+02
+FORCES -3.6930000000e-03 -3.6891000000e-03 -1.5420000000e-03  5.5263000000e-03  1.2305000000e-03  3.9522000000e-03 -1.2195000000e-03  4.2753000000e-03 -2.2003000000e-03  2.2000000000e-05 -2.9693000000e-03  8.8836000000e-03 -2.0591000000e-03 -2.5505000000e-03  3.5290000000e-04  1.4233000000e-03  3.7032000000e-03 -9.4463000000e-03
+
+JOB 13
+COORDS  7.3972200000e-01 -5.5227700000e-01 -1.1380120000e+00  2.6488900000e-01 -3.1357900000e-01 -3.4190400000e-01  1.4252790000e+00  1.1110300000e-01 -1.2165670000e+00 -7.4260400000e-01  5.5188800000e-01  1.0490250000e+00 -9.3780000000e-02  3.3046000000e-02  1.5244870000e+00 -1.5855440000e+00  2.5351400000e-01  1.3905760000e+00
+ENERGY -1.526574098911e+02
+FORCES -5.6069000000e-03  7.8212000000e-03  5.6096000000e-03  8.1170000000e-03 -5.9882000000e-03  1.1330000000e-04 -1.9170000000e-03 -2.4803000000e-03  1.0146000000e-03 -3.0554000000e-03 -2.1833000000e-03  2.7733000000e-03 -2.3229000000e-03  1.3326000000e-03 -8.5824000000e-03  4.7852000000e-03  1.4980000000e-03 -9.2850000000e-04
+
+JOB 14
+COORDS -2.4109500000e-01  4.5489900000e-01  1.2756840000e+00  6.4613100000e-01  8.0818900000e-01  1.3408540000e+00 -4.6939000000e-01  2.1246300000e-01  2.1730910000e+00  2.4390000000e-01 -4.2461100000e-01 -1.3701560000e+00 -7.5488000000e-02 -2.4048900000e-01 -4.8679800000e-01 -1.3524600000e-01 -1.2756030000e+00 -1.5899130000e+00
+ENERGY -1.526612098858e+02
+FORCES  2.3861000000e-03 -4.5570000000e-04  2.2536000000e-03 -5.1334000000e-03 -2.7011000000e-03 -3.2340000000e-04  2.0861000000e-03  1.9154000000e-03 -3.4730000000e-03 -4.6615000000e-03 -3.8800000000e-05  9.0208000000e-03  4.4837000000e-03 -1.2069000000e-03 -8.7814000000e-03  8.3900000000e-04  2.4872000000e-03  1.3033000000e-03
+
+JOB 15
+COORDS  5.5979400000e-01 -1.3674130000e+00 -2.6032400000e-01  4.7079900000e-01 -5.0545000000e-01  1.4628700000e-01 -1.8699500000e-01 -1.8668400000e+00  6.9996000000e-02 -5.1788500000e-01  1.2823300000e+00  2.1390600000e-01 -5.5524100000e-01  1.7658820000e+00  1.0391410000e+00 -4.3725600000e-01  1.9596170000e+00 -4.5766900000e-01
+ENERGY -1.526601631477e+02
+FORCES -6.5034000000e-03  8.0555000000e-03  2.7560000000e-03  4.4606000000e-03 -7.8917000000e-03  2.0860000000e-04  2.5049000000e-03  9.0270000000e-04 -7.6340000000e-04 -2.4150000000e-04  4.0447000000e-03 -2.3839000000e-03  5.6880000000e-04 -2.9222000000e-03 -4.0835000000e-03 -7.8950000000e-04 -2.1890000000e-03  4.2662000000e-03
+
+JOB 16
+COORDS -7.7143000000e-02 -1.2425510000e+00 -6.4128700000e-01 -8.9990700000e-01 -1.3259070000e+00 -1.1233060000e+00  1.3503000000e-01 -2.1363450000e+00 -3.7231200000e-01  1.4491400000e-01  1.3084140000e+00  7.1467800000e-01 -3.2707800000e-01  1.9571100000e+00  1.9252100000e-01  1.2297800000e-01  5.1167500000e-01  1.8462500000e-01
+ENERGY -1.526608642806e+02
+FORCES -1.4694000000e-03 -3.5330000000e-03  1.5818000000e-03  4.0257000000e-03  5.9560000000e-04  2.3780000000e-03 -2.1064000000e-03  3.3114000000e-03 -2.5073000000e-03 -9.9740000000e-04 -7.3078000000e-03 -5.8658000000e-03  8.9150000000e-04 -2.8333000000e-03  1.0923000000e-03 -3.4400000000e-04  9.7672000000e-03  3.3210000000e-03
+
+JOB 17
+COORDS  5.8093900000e-01  1.2938730000e+00 -4.7582200000e-01  1.4398070000e+00  1.2306010000e+00 -8.9364400000e-01  1.6722500000e-01  4.4812100000e-01 -6.4837900000e-01 -6.0553400000e-01 -1.1713570000e+00  4.9450400000e-01 -1.0257830000e+00 -1.5727910000e+00  1.2550770000e+00 -2.0468400000e-01 -1.9042430000e+00  2.7139000000e-02
+ENERGY -1.526562634439e+02
+FORCES -1.6737000000e-03 -7.0954000000e-03  1.7035000000e-03 -3.1936000000e-03 -8.7200000000e-04  1.6278000000e-03  4.3347000000e-03  4.4587000000e-03 -4.9630000000e-03 -5.5360000000e-04 -2.0347000000e-03  4.2990000000e-03  2.2586000000e-03  3.5440000000e-04 -3.5593000000e-03 -1.1724000000e-03  5.1889000000e-03  8.9210000000e-04
+
+JOB 18
+COORDS  8.3116600000e-01 -1.1517500000e-01 -1.1583480000e+00  1.5830360000e+00 -5.2494000000e-01 -7.3054500000e-01  8.5441500000e-01 -4.4841800000e-01 -2.0553660000e+00 -8.9087100000e-01  1.2554700000e-01  1.2443150000e+00 -5.0356700000e-01 -2.7203600000e-01  4.6447200000e-01 -1.0104840000e+00  1.0459440000e+00  1.0102350000e+00
+ENERGY -1.526605762702e+02
+FORCES  3.9754000000e-03 -1.8182000000e-03 -2.7136000000e-03 -4.9664000000e-03  1.2953000000e-03 -2.1375000000e-03  5.8880000000e-04  1.5347000000e-03  4.4261000000e-03  3.6473000000e-03  2.5924000000e-03 -9.5043000000e-03 -2.7288000000e-03 -1.2572000000e-03  7.8640000000e-03 -5.1620000000e-04 -2.3470000000e-03  2.0652000000e-03
+
+JOB 19
+COORDS  4.6134700000e-01  1.0720700000e-01  1.3721880000e+00 -3.0115200000e-01 -2.5251500000e-01  1.8254280000e+00  6.3299900000e-01  9.3875700000e-01  1.8141080000e+00 -4.8009900000e-01 -9.2749000000e-02 -1.4394130000e+00  3.3078400000e-01  1.2342900000e-01 -9.7901400000e-01 -3.9433100000e-01 -1.0218240000e+00 -1.6531800000e+00
+ENERGY -1.526575197659e+02
+FORCES -5.8996000000e-03  9.3730000000e-04  2.3533000000e-03  4.1369000000e-03  1.3919000000e-03 -2.1200000000e-04 -7.8340000000e-04 -3.4205000000e-03 -2.5349000000e-03  5.3802000000e-03 -2.0732000000e-03  6.6216000000e-03 -1.9949000000e-03  1.4420000000e-04 -7.1633000000e-03 -8.3920000000e-04  3.0204000000e-03  9.3530000000e-04
+
+JOB 20
+COORDS  1.0045700000e-01 -7.3411000000e-01  1.3316380000e+00 -3.3889400000e-01  1.0450800000e-01  1.4727810000e+00 -5.7251900000e-01 -1.2959190000e+00  9.4731200000e-01 -9.7246000000e-02  7.1995500000e-01 -1.3183650000e+00  4.9370300000e-01  3.2552800000e-01 -1.9597990000e+00  4.8294000000e-01  1.0861700000e+00 -6.5090500000e-01
+ENERGY -1.526549418271e+02
+FORCES -6.8653000000e-03  1.4673000000e-03 -5.8644000000e-03  3.5666000000e-03 -1.7678000000e-03 -2.1480000000e-04  2.6672000000e-03  6.0760000000e-04  3.4549000000e-03  6.9003000000e-03 -3.1706000000e-03  3.0198000000e-03 -2.6164000000e-03  1.6485000000e-03  1.9291000000e-03 -3.6523000000e-03  1.2151000000e-03 -2.3246000000e-03
+
+JOB 21
+COORDS  5.3134000000e-01  1.3739530000e+00  3.4859700000e-01 -1.9901500000e-01  1.1332750000e+00 -2.2139200000e-01  1.1884940000e+00  1.7384100000e+00 -2.4432100000e-01 -5.9469100000e-01 -1.3511790000e+00 -2.9750300000e-01  1.9256800000e-01 -8.5783200000e-01 -6.7147000000e-02 -3.0542800000e-01 -2.2630320000e+00 -3.3040800000e-01
+ENERGY -1.526590716297e+02
+FORCES -2.6303000000e-03  4.2247000000e-03 -4.3155000000e-03  6.7031000000e-03 -1.1879000000e-03  3.3212000000e-03 -2.8167000000e-03 -2.7507000000e-03  2.5769000000e-03  4.9396000000e-03 -8.5630000000e-04  2.9463000000e-03 -6.0366000000e-03 -3.2042000000e-03 -4.9481000000e-03 -1.5900000000e-04  3.7744000000e-03  4.1920000000e-04
+
+JOB 22
+COORDS  1.0163930000e+00  7.1790700000e-01  8.8781100000e-01  5.3537700000e-01  3.7380200000e-01  1.3518300000e-01  1.9146540000e+00  8.1870400000e-01  5.7285200000e-01 -9.8668700000e-01 -6.6743700000e-01 -8.4126900000e-01 -1.0333730000e+00 -1.6015380000e+00 -6.3753200000e-01 -1.9000390000e+00 -3.8283200000e-01 -8.7320800000e-01
+ENERGY -1.526614813801e+02
+FORCES -2.9982000000e-03 -2.8042000000e-03 -6.2407000000e-03  7.7235000000e-03  4.5148000000e-03  5.5213000000e-03 -3.3170000000e-03 -9.6390000000e-04  4.6490000000e-04 -4.7654000000e-03 -2.6492000000e-03  1.8994000000e-03 -4.0110000000e-04  4.2494000000e-03 -1.4868000000e-03  3.7582000000e-03 -2.3468000000e-03 -1.5810000000e-04
+
+JOB 23
+COORDS -8.2681900000e-01 -1.1334400000e-01  1.3028870000e+00 -1.2799170000e+00  7.2786500000e-01  1.3603430000e+00 -6.4181700000e-01 -2.2306900000e-01  3.7016700000e-01  7.8848700000e-01  5.1667000000e-02 -1.2357710000e+00  1.1572620000e+00  9.3418100000e-01 -1.1982940000e+00  1.5012610000e+00 -4.9224200000e-01 -1.5709550000e+00
+ENERGY -1.526597003343e+02
+FORCES  2.0808000000e-03  1.7774000000e-03 -7.4480000000e-03  2.1276000000e-03 -2.3589000000e-03 -4.1260000000e-04 -5.4810000000e-03  3.1250000000e-04  7.3577000000e-03  5.6634000000e-03  9.2440000000e-04  2.6520000000e-04 -1.8012000000e-03 -3.8559000000e-03 -7.9020000000e-04 -2.5895000000e-03  3.2003000000e-03  1.0279000000e-03
+
+JOB 24
+COORDS -9.9803100000e-01  9.3718100000e-01 -5.6451100000e-01 -1.2981100000e-01  1.3334350000e+00 -4.9097000000e-01 -1.4521330000e+00  1.4731090000e+00 -1.2147450000e+00  1.0043270000e+00 -9.9644200000e-01  6.4689100000e-01  7.3207100000e-01 -1.6996730000e+00  5.7336000000e-02  6.0812000000e-01 -2.0706600000e-01  2.7792100000e-01
+ENERGY -1.526534411548e+02
+FORCES  1.1350000000e-04  5.2394000000e-03 -3.1653000000e-03 -1.9215000000e-03 -8.3859000000e-03  2.1113000000e-03  1.9697000000e-03 -2.4663000000e-03  3.2635000000e-03 -7.6289000000e-03 -3.0780000000e-04 -5.1122000000e-03  2.4078000000e-03  1.4110000000e-03  2.5862000000e-03  5.0595000000e-03  4.5097000000e-03  3.1660000000e-04
+
+JOB 25
+COORDS -1.0595780000e+00  1.0651720000e+00  9.2511000000e-02 -1.4412550000e+00  4.5523100000e-01  7.2380000000e-01 -7.7775700000e-01  1.8120760000e+00  6.2066200000e-01  1.1042480000e+00 -1.0657900000e+00 -1.0970500000e-01  3.9065700000e-01 -5.3569800000e-01 -4.6470100000e-01  1.1625780000e+00 -1.8164430000e+00 -7.0076200000e-01
+ENERGY -1.526602774340e+02
+FORCES  1.9400000000e-05  2.6181000000e-03  6.6741000000e-03  2.2529000000e-03  2.3195000000e-03 -4.1049000000e-03 -2.3199000000e-03 -3.0804000000e-03 -1.9901000000e-03 -3.6511000000e-03  3.1951000000e-03 -3.6138000000e-03  4.8759000000e-03 -8.1970000000e-03  1.0072000000e-03 -1.1773000000e-03  3.1446000000e-03  2.0275000000e-03
+
+JOB 26
+COORDS -3.7774700000e-01  3.2845600000e-01 -1.5184800000e+00 -1.7091000000e-01 -6.0612600000e-01 -1.5159180000e+00 -1.3584600000e-01  6.3018800000e-01 -6.4288100000e-01  2.8195200000e-01 -3.0199900000e-01  1.4754710000e+00  9.1338200000e-01 -8.6472500000e-01  1.0272890000e+00  8.0324100000e-01  4.3178400000e-01  1.8011300000e+00
+ENERGY -1.526564537446e+02
+FORCES  4.4200000000e-05 -3.7438000000e-03  8.3490000000e-03  5.8320000000e-04  2.7463000000e-03 -7.7290000000e-04  1.3979000000e-03  1.8437000000e-03 -6.9152000000e-03  5.1742000000e-03 -1.3881000000e-03  2.7562000000e-03 -4.0548000000e-03  3.5543000000e-03  2.3800000000e-05 -3.1447000000e-03 -3.0123000000e-03 -3.4408000000e-03
+
+JOB 27
+COORDS  9.6474700000e-01  8.9085300000e-01 -7.2340200000e-01  1.4572350000e+00  1.0112280000e+00  8.8508000000e-02  1.1032830000e+00  1.7029560000e+00 -1.2107710000e+00 -1.0218700000e+00 -9.5466900000e-01  7.6394800000e-01 -4.7483200000e-01 -2.1523400000e-01  4.9896100000e-01 -1.1596090000e+00 -1.4522770000e+00 -4.2058000000e-02
+ENERGY -1.526593834979e+02
+FORCES  3.6742000000e-03  5.0004000000e-03 -9.6570000000e-04 -4.9299000000e-03 -1.0940000000e-03 -3.3476000000e-03  3.9810000000e-04 -3.7813000000e-03  2.3866000000e-03  3.4202000000e-03  3.1847000000e-03 -8.0033000000e-03 -1.9586000000e-03 -3.8606000000e-03  6.7159000000e-03 -6.0390000000e-04  5.5070000000e-04  3.2141000000e-03
+
+JOB 28
+COORDS -2.4453300000e-01 -1.5135090000e+00 -4.4455100000e-01 -3.3703500000e-01 -1.7136920000e+00  4.8690100000e-01 -7.7776800000e-01 -7.2947300000e-01 -5.7562600000e-01  2.3455300000e-01  1.4380070000e+00  3.7544800000e-01  2.6214000000e-01  2.3915110000e+00  2.9607300000e-01  1.0246930000e+00  1.2152030000e+00  8.6765600000e-01
+ENERGY -1.526573219350e+02
+FORCES -2.4769000000e-03  6.5918000000e-03  3.5143000000e-03  1.1520000000e-03 -3.6800000000e-05 -3.0627000000e-03 -8.8600000000e-05 -6.3350000000e-03 -1.0610000000e-03  5.1402000000e-03  2.0644000000e-03  1.4039000000e-03  5.8000000000e-05 -4.3297000000e-03  1.7800000000e-04 -3.7848000000e-03  2.0452000000e-03 -9.7250000000e-04
+
+JOB 29
+COORDS  5.0463500000e-01 -1.4359320000e+00  4.4396100000e-01 -1.2060800000e-01 -2.1229040000e+00  6.7498800000e-01 -2.0636000000e-02 -7.7534700000e-01 -7.6460000000e-03 -3.7066000000e-01  1.4560260000e+00 -4.2194800000e-01 -1.0780930000e+00  1.4343420000e+00  2.2248900000e-01 -7.7564500000e-01  1.1495370000e+00 -1.2332940000e+00
+ENERGY -1.526559916457e+02
+FORCES -3.0845000000e-03  3.6619000000e-03 -1.6007000000e-03  1.7235000000e-03  3.7383000000e-03 -1.0758000000e-03 -6.2510000000e-04 -8.1140000000e-03  1.3783000000e-03 -4.2840000000e-03  4.1083000000e-03 -4.9240000000e-04  3.6791000000e-03 -1.9811000000e-03 -3.7789000000e-03  2.5910000000e-03 -1.4135000000e-03  5.5695000000e-03
+
+JOB 30
+COORDS  2.5864600000e-01  1.5887190000e+00  1.5931300000e-01  2.9349300000e-01  8.5425400000e-01 -4.5353300000e-01  7.8291000000e-01  1.3023060000e+00  9.0720800000e-01 -2.4769100000e-01 -1.5090430000e+00 -1.1989400000e-01 -3.2859200000e-01 -2.4154220000e+00 -4.1681700000e-01 -8.8942500000e-01 -1.0273490000e+00 -6.4179400000e-01
+ENERGY -1.526566009332e+02
+FORCES  3.7461000000e-03 -7.2433000000e-03  2.1982000000e-03 -3.5729000000e-03  4.0272000000e-03 -2.4080000000e-04 -1.4972000000e-03  3.1609000000e-03 -2.3086000000e-03 -4.3790000000e-03 -3.5088000000e-03 -2.3742000000e-03 -9.3100000000e-05  4.1817000000e-03  1.5148000000e-03  5.7960000000e-03 -6.1770000000e-04  1.2106000000e-03
+
+JOB 31
+COORDS -1.5699870000e+00 -2.8982100000e-01  2.4457700000e-01 -1.9967050000e+00  1.1521000000e-01 -5.1046800000e-01 -6.4111200000e-01 -3.0792200000e-01  1.4149000000e-02  1.5066250000e+00  3.2407600000e-01 -2.1439100000e-01  1.7863930000e+00 -4.7459500000e-01 -6.6170100000e-01  1.7849390000e+00  2.0091400000e-01  6.9313500000e-01
+ENERGY -1.526597308385e+02
+FORCES  5.8073000000e-03  3.9726000000e-03 -4.3658000000e-03  1.0914000000e-03 -1.7806000000e-03  2.4279000000e-03 -7.9872000000e-03 -4.3863000000e-03  1.8321000000e-03  6.7134000000e-03 -1.2396000000e-03  2.5060000000e-03 -3.6278000000e-03  3.6190000000e-03  2.5915000000e-03 -1.9971000000e-03 -1.8510000000e-04 -4.9916000000e-03
+
+JOB 32
+COORDS -8.5133700000e-01 -1.2829720000e+00 -5.3945100000e-01 -5.7022900000e-01 -1.8899710000e+00  1.4521200000e-01 -1.3244200000e-01 -6.5535200000e-01 -6.1370300000e-01  7.7325800000e-01  1.2953500000e+00  4.3576200000e-01  7.0527900000e-01  1.9340550000e+00  1.1454570000e+00  1.1572830000e+00  5.2054400000e-01  8.4616700000e-01
+ENERGY -1.526547013028e+02
+FORCES  3.3469000000e-03  3.3526000000e-03  2.0473000000e-03 -3.4300000000e-04  3.0012000000e-03 -2.1627000000e-03 -8.9480000000e-04 -6.6589000000e-03  8.9180000000e-04 -2.2490000000e-04  1.8094000000e-03  6.2143000000e-03  1.1354000000e-03 -2.8713000000e-03 -2.7713000000e-03 -3.0196000000e-03  1.3670000000e-03 -4.2195000000e-03
+
+JOB 33
+COORDS  5.9615400000e-01 -9.3149200000e-01 -1.2385800000e+00 -3.3846600000e-01 -7.5749800000e-01 -1.1270240000e+00  9.3366400000e-01 -1.0108190000e+00 -3.4637700000e-01 -5.9692100000e-01  8.7268700000e-01  1.1952560000e+00 -4.5276100000e-01  1.2568770000e+00  3.3047400000e-01 -1.1407500000e-01  1.4420700000e+00  1.7943350000e+00
+ENERGY -1.526573539396e+02
+FORCES -3.3167000000e-03 -1.2114000000e-03  6.7513000000e-03  3.7019000000e-03  1.4040000000e-03 -2.1498000000e-03  6.0350000000e-04 -3.2000000000e-05 -5.0811000000e-03  2.4790000000e-03  5.5590000000e-03 -6.7100000000e-04 -1.7087000000e-03 -3.0888000000e-03  3.8679000000e-03 -1.7591000000e-03 -2.6309000000e-03 -2.7173000000e-03
+
+JOB 34
+COORDS -1.4005820000e+00 -1.0081200000e-01  8.4521200000e-01 -9.3093200000e-01  3.3861300000e-01  1.3629300000e-01 -1.8844010000e+00 -8.0438200000e-01  4.1261500000e-01  1.4195850000e+00  1.8616300000e-01 -7.5441200000e-01  1.2400680000e+00 -5.4146600000e-01 -1.5896100000e-01  1.3029530000e+00 -1.8504000000e-01 -1.6289610000e+00
+ENERGY -1.526579855369e+02
+FORCES -2.9700000000e-05  1.6130000000e-03 -5.1994000000e-03 -4.4898000000e-03 -4.2807000000e-03  4.2415000000e-03  2.9732000000e-03  2.3791000000e-03  1.4495000000e-03  2.4530000000e-03 -5.5561000000e-03 -2.5280000000e-04  1.1000000000e-06  4.0661000000e-03 -4.5386000000e-03 -9.0780000000e-04  1.7787000000e-03  4.2999000000e-03
+
+JOB 35
+COORDS  6.9078300000e-01  8.8411000000e-01  1.0850300000e+00  5.4511700000e-01  1.8221260000e+00  9.6199500000e-01  1.6226840000e+00  8.1095300000e-01  1.2910450000e+00 -7.9799300000e-01 -9.0512300000e-01 -1.0986340000e+00 -1.2749100000e-01 -5.4666600000e-01 -5.1711100000e-01 -3.7337900000e-01 -1.6500810000e+00 -1.5240420000e+00
+ENERGY -1.526599456726e+02
+FORCES  2.6318000000e-03  6.0956000000e-03  2.2193000000e-03  1.5755000000e-03 -4.2241000000e-03  1.0801000000e-03 -4.3080000000e-03  6.1800000000e-05 -1.5786000000e-03  4.7722000000e-03  8.8970000000e-04  3.5914000000e-03 -3.7351000000e-03 -5.6156000000e-03 -7.1272000000e-03 -9.3630000000e-04  2.7926000000e-03  1.8150000000e-03
+
+JOB 36
+COORDS  1.2286320000e+00 -7.0676300000e-01 -7.2508600000e-01  1.8254750000e+00 -4.8763700000e-01 -1.4406240000e+00  1.5674450000e+00 -2.2145300000e-01  2.7184000000e-02 -1.2998870000e+00  6.2737500000e-01  7.6506800000e-01 -1.5979700000e+00  7.0273900000e-01 -1.4140800000e-01 -6.3131500000e-01  1.3064470000e+00  8.5509100000e-01
+ENERGY -1.526532549029e+02
+FORCES  3.5831000000e-03  1.6642000000e-03  2.1715000000e-03 -3.4998000000e-03 -3.8120000000e-04  3.0142000000e-03 -6.8730000000e-04 -7.8430000000e-04 -3.7697000000e-03  2.6598000000e-03  1.0302000000e-03 -6.2187000000e-03 -5.2950000000e-04  1.1545000000e-03  4.2254000000e-03 -1.5263000000e-03 -2.6834000000e-03  5.7730000000e-04
+
+JOB 37
+COORDS -6.1505300000e-01  2.6162700000e-01 -1.4093690000e+00  1.4625000000e-02  5.4369400000e-01 -2.0728260000e+00 -1.3866270000e+00 -5.4280000000e-03 -1.9089560000e+00  6.7240000000e-01 -3.1533400000e-01  1.4915600000e+00  2.1919400000e-01 -2.0847500000e-01  6.5524900000e-01  3.4189600000e-01  3.9877100000e-01  2.0365860000e+00
+ENERGY -1.526609511917e+02
+FORCES -1.1974000000e-03 -6.0700000000e-05 -6.3346000000e-03 -3.4638000000e-03 -1.2828000000e-03  2.5608000000e-03  3.6626000000e-03  1.7126000000e-03  1.3707000000e-03 -4.5300000000e-03  3.3886000000e-03 -4.2711000000e-03  4.3005000000e-03 -1.3632000000e-03  8.1929000000e-03  1.2280000000e-03 -2.3944000000e-03 -1.5187000000e-03
+
+JOB 38
+COORDS -6.3733400000e-01  4.8695600000e-01 -1.4270860000e+00 -5.7113000000e-01 -3.5129800000e-01 -1.8844460000e+00  2.6869300000e-01  7.8081900000e-01 -1.3322660000e+00  5.8110600000e-01 -5.1575900000e-01  1.4108200000e+00 -1.7775600000e-01  5.6373000000e-02  1.5249500000e+00  1.2766330000e+00 -9.5667000000e-02  1.9167810000e+00
+ENERGY -1.526562645516e+02
+FORCES  5.7554000000e-03 -4.4492000000e-03  1.0170000000e-04 -7.5940000000e-04  3.6810000000e-03  6.9970000000e-04 -3.9425000000e-03  6.1460000000e-04 -1.5098000000e-03 -2.8072000000e-03  3.7974000000e-03  2.1427000000e-03  4.4131000000e-03 -2.3993000000e-03  1.6530000000e-03 -2.6594000000e-03 -1.2444000000e-03 -3.0873000000e-03
+
+JOB 39
+COORDS  1.1021690000e+00  4.8158900000e-01  1.0264500000e+00  1.1173620000e+00  1.1984130000e+00  1.6606150000e+00  1.3210140000e+00 -2.9677300000e-01  1.5387890000e+00 -1.1159640000e+00 -4.2524600000e-01 -1.1119150000e+00 -3.9339400000e-01 -1.0527210000e+00 -1.1319320000e+00 -1.8204230000e+00 -8.8494200000e-01 -6.5513400000e-01
+ENERGY -1.526520487629e+02
+FORCES -2.9820000000e-04  1.0972000000e-03  4.3582000000e-03  3.2200000000e-05 -3.1705000000e-03 -2.5025000000e-03 -1.3823000000e-03  2.4820000000e-03 -3.0991000000e-03  2.7984000000e-03 -2.9016000000e-03  3.9584000000e-03 -3.7148000000e-03  7.7790000000e-04 -9.8530000000e-04  2.5647000000e-03  1.7150000000e-03 -1.7298000000e-03
+
+JOB 40
+COORDS -7.9107500000e-01 -6.9602800000e-01 -1.3137150000e+00 -1.1551400000e-01 -1.3282800000e+00 -1.5588800000e+00 -4.5712800000e-01 -2.8507400000e-01 -5.1632700000e-01  7.5096300000e-01  6.5043400000e-01  1.2562010000e+00  1.0066220000e+00  1.5279640000e+00  9.7193000000e-01  1.5205200000e-01  8.0011900000e-01  1.9877280000e+00
+ENERGY -1.526606814590e+02
+FORCES  5.8592000000e-03  4.5800000000e-05  5.0424000000e-03 -2.5022000000e-03  1.9605000000e-03  1.8610000000e-04 -5.1160000000e-03 -2.7470000000e-03 -7.1318000000e-03  8.2160000000e-04  5.7044000000e-03  4.6387000000e-03 -1.6744000000e-03 -4.3912000000e-03  1.3147000000e-03  2.6117000000e-03 -5.7260000000e-04 -4.0500000000e-03
+
+JOB 41
+COORDS  1.7063360000e+00 -4.4104500000e-01  3.3943000000e-02  7.8250900000e-01 -2.0348600000e-01  1.1357500000e-01  2.0703930000e+00  2.0912200000e-01 -5.6687000000e-01 -1.6849030000e+00  3.6235800000e-01 -5.8722000000e-02 -1.6562100000e+00 -5.5548000000e-02  8.0195400000e-01 -1.5184560000e+00  1.2881900000e+00  1.1837100000e-01
+ENERGY -1.526572622633e+02
+FORCES -4.3107000000e-03  3.2105000000e-03 -3.9446000000e-03  6.8415000000e-03 -1.0113000000e-03  2.8915000000e-03 -1.0038000000e-03 -2.1368000000e-03  2.6044000000e-03 -4.3978000000e-03  2.7666000000e-03  4.3754000000e-03  2.0882000000e-03  2.1785000000e-03 -4.8757000000e-03  7.8260000000e-04 -5.0076000000e-03 -1.0511000000e-03
+
+JOB 42
+COORDS -1.3676510000e+00 -3.2910900000e-01 -1.0492670000e+00 -1.9344560000e+00  4.4077300000e-01 -1.0966720000e+00 -5.4691700000e-01 -6.4100000000e-04 -6.8220100000e-01  1.3629290000e+00  2.6225800000e-01  9.7519200000e-01  1.7877230000e+00  9.7894700000e-01  1.4465070000e+00  8.7862300000e-01 -2.1450100000e-01  1.6492690000e+00
+ENERGY -1.526590675316e+02
+FORCES  3.2127000000e-03  4.8318000000e-03  1.4041000000e-03  1.8798000000e-03 -2.8222000000e-03  3.0300000000e-04 -7.2352000000e-03 -2.4767000000e-03 -3.0126000000e-03  2.1828000000e-03  8.8980000000e-04  6.4825000000e-03 -1.9700000000e-03 -3.3457000000e-03 -1.6086000000e-03  1.9299000000e-03  2.9230000000e-03 -3.5684000000e-03
+
+JOB 43
+COORDS  1.4622560000e+00  7.5031000000e-02  8.9153500000e-01  1.4927000000e+00 -1.1490300000e-01  1.8292080000e+00  1.4730800000e+00  1.0307700000e+00  8.3979200000e-01 -1.4781450000e+00 -1.5565600000e-01 -9.9606400000e-01 -1.2270280000e+00  7.6444800000e-01 -9.1493800000e-01 -1.4823710000e+00 -4.8345800000e-01 -9.6754000000e-02
+ENERGY -1.526540587162e+02
+FORCES  2.2705000000e-03  3.0410000000e-03  3.3922000000e-03 -9.6060000000e-04  6.7850000000e-04 -4.3314000000e-03 -1.2022000000e-03 -4.0822000000e-03  1.4000000000e-06  4.1900000000e-03  1.6122000000e-03  5.2213000000e-03 -1.7420000000e-03 -2.4312000000e-03 -7.8830000000e-04 -2.5557000000e-03  1.1817000000e-03 -3.4953000000e-03
+
+JOB 44
+COORDS  6.7178100000e-01 -1.1359600000e+00  1.0938560000e+00  1.4095860000e+00 -1.6688040000e+00  7.9728500000e-01  1.0213860000e+00 -6.2839700000e-01  1.8262410000e+00 -7.3662600000e-01  1.1564060000e+00 -1.1808090000e+00 -1.0614900000e+00  1.6360340000e+00 -4.1880400000e-01 -4.4454600000e-01  3.1566600000e-01 -8.2856300000e-01
+ENERGY -1.526586239791e+02
+FORCES  5.7964000000e-03 -1.1980000000e-03  3.4429000000e-03 -3.3216000000e-03  2.5215000000e-03  1.3337000000e-03 -1.6484000000e-03 -2.2376000000e-03 -3.2182000000e-03  5.5230000000e-04 -3.4032000000e-03  6.1047000000e-03  1.0295000000e-03 -8.1850000000e-04 -2.8827000000e-03 -2.4082000000e-03  5.1359000000e-03 -4.7804000000e-03
+
+JOB 45
+COORDS  5.1328100000e-01  1.3340490000e+00  1.0214090000e+00  1.0311930000e+00  1.5646710000e+00  2.5016800000e-01  1.1477470000e+00  9.6224200000e-01  1.6341440000e+00 -5.2652800000e-01 -1.3056980000e+00 -1.0229650000e+00 -9.9598000000e-01 -1.9881070000e+00 -1.5027190000e+00 -1.1484280000e+00 -1.0080480000e+00 -3.5898000000e-01
+ENERGY -1.526564118805e+02
+FORCES  5.6261000000e-03 -1.1239000000e-03 -1.8432000000e-03 -1.7902000000e-03  2.3530000000e-04  3.9347000000e-03 -2.6605000000e-03  1.7532000000e-03 -2.0704000000e-03 -4.6350000000e-03 -4.7660000000e-04  1.8615000000e-03  1.9413000000e-03  2.8398000000e-03  2.0588000000e-03  1.5182000000e-03 -3.2277000000e-03 -3.9413000000e-03
+
+JOB 46
+COORDS -1.4275580000e+00 -8.6066900000e-01  7.0650000000e-01 -1.6298320000e+00  4.1701000000e-02  4.5942500000e-01 -1.0864910000e+00 -1.2581570000e+00 -9.4692000000e-02  1.4161370000e+00  8.0561900000e-01 -6.0121600000e-01  7.4050000000e-01  1.2118820000e+00 -1.1440750000e+00  2.2282080000e+00  9.3661400000e-01 -1.0907180000e+00
+ENERGY -1.526533945930e+02
+FORCES  3.2696000000e-03  2.4787000000e-03 -3.9565000000e-03 -1.3370000000e-04 -3.2960000000e-03  3.1240000000e-04 -3.0884000000e-03  1.1460000000e-03  2.7318000000e-03  1.9178000000e-03  2.9721000000e-03 -3.9104000000e-03  1.7037000000e-03 -2.5522000000e-03  2.6483000000e-03 -3.6691000000e-03 -7.4860000000e-04  2.1744000000e-03
+
+JOB 47
+COORDS -3.4357200000e-01  3.5197000000e-02  1.7161500000e+00 -6.2138800000e-01  9.5087400000e-01  1.6919310000e+00 -8.6246400000e-01 -3.5449400000e-01  2.4198010000e+00  3.4183700000e-01 -7.6121000000e-02 -1.7067340000e+00  3.9476900000e-01 -4.8995600000e-01 -2.5682280000e+00  1.0958300000e+00  5.1279400000e-01 -1.6766550000e+00
+ENERGY -1.526525120713e+02
+FORCES -3.9563000000e-03  1.9841000000e-03  1.4835000000e-03  1.6577000000e-03 -3.3977000000e-03  7.0310000000e-04  2.2197000000e-03  1.4436000000e-03 -2.8912000000e-03  3.9163000000e-03  2.8090000000e-04 -2.4499000000e-03 -4.5540000000e-04  1.5676000000e-03  3.7452000000e-03 -3.3819000000e-03 -1.8785000000e-03 -5.9070000000e-04
+
+JOB 48
+COORDS  1.7368390000e+00  4.3822800000e-01 -4.2563800000e-01  7.8307500000e-01  3.9127100000e-01 -3.5960000000e-01  1.9433010000e+00 -1.3792000000e-02 -1.2437350000e+00 -1.6637560000e+00 -3.4336900000e-01  4.7641600000e-01 -2.2533490000e+00 -6.4722200000e-01 -2.1371700000e-01 -1.5529170000e+00 -1.1025130000e+00  1.0488200000e+00
+ENERGY -1.526583665975e+02
+FORCES -4.9554000000e-03 -1.7109000000e-03 -2.0750000000e-03  7.6768000000e-03  7.6830000000e-04 -1.9713000000e-03 -7.4200000000e-04  1.4986000000e-03  2.9413000000e-03 -4.4262000000e-03 -5.1087000000e-03  1.3518000000e-03  3.1644000000e-03  1.2378000000e-03  2.8107000000e-03 -7.1760000000e-04  3.3149000000e-03 -3.0575000000e-03
+
+JOB 49
+COORDS -8.9341000000e-01  7.9399000000e-01 -1.3496880000e+00 -2.4211200000e-01  1.2658800000e-01 -1.5655980000e+00 -7.3513000000e-01  1.4966090000e+00 -1.9801690000e+00  8.1311300000e-01 -8.2752100000e-01  1.4538810000e+00  4.2429300000e-01 -3.5743600000e-01  7.1626900000e-01  1.7567720000e+00 -7.7164900000e-01  1.3034860000e+00
+ENERGY -1.526552325878e+02
+FORCES  1.5697000000e-03  1.5321000000e-03 -6.1009000000e-03 -1.8246000000e-03  3.3443000000e-03  4.0220000000e-03 -7.6260000000e-04 -3.4275000000e-03  2.5447000000e-03  1.0214000000e-03  3.5890000000e-03 -2.6933000000e-03  3.8750000000e-03 -4.6745000000e-03  2.1580000000e-03 -3.8788000000e-03 -3.6340000000e-04  6.9400000000e-05
+
+JOB 50
+COORDS  1.5735000000e-02  1.4722820000e+00 -1.1203770000e+00 -6.5488700000e-01  1.8670350000e+00 -5.6300000000e-01 -4.4208100000e-01  7.7452000000e-01 -1.5891680000e+00  4.6503000000e-02 -1.4832560000e+00  1.0665170000e+00 -2.5294000000e-02 -5.3743700000e-01  1.1949870000e+00  1.9667900000e-01 -1.8339730000e+00  1.9443990000e+00
+ENERGY -1.526555637273e+02
+FORCES -4.5990000000e-03 -1.1586000000e-03 -2.1091000000e-03  3.3722000000e-03 -2.4649000000e-03 -1.1035000000e-03  1.7392000000e-03  3.8938000000e-03  2.2184000000e-03  1.6425000000e-03  2.8911000000e-03  3.7576000000e-03 -1.4954000000e-03 -4.7881000000e-03  7.5310000000e-04 -6.5950000000e-04  1.6268000000e-03 -3.5164000000e-03
+
+JOB 51
+COORDS  1.1299420000e+00 -1.4219470000e+00 -7.0393800000e-01  1.2479730000e+00 -8.0086000000e-01 -1.4226530000e+00  2.1729200000e-01 -1.3103550000e+00 -4.3776400000e-01 -1.0626210000e+00  1.4035530000e+00  6.7870700000e-01 -1.9844660000e+00  1.2755120000e+00  9.0240200000e-01 -5.8342700000e-01  1.0813080000e+00  1.4420960000e+00
+ENERGY -1.526564351744e+02
+FORCES -4.0023000000e-03  4.4377000000e-03 -2.3155000000e-03  2.7420000000e-04 -3.1742000000e-03  2.3896000000e-03  4.0843000000e-03 -2.2589000000e-03 -4.1390000000e-04 -1.7627000000e-03  1.1500000000e-04  5.2425000000e-03  4.1234000000e-03 -2.9700000000e-05 -1.1999000000e-03 -2.7168000000e-03  9.1010000000e-04 -3.7028000000e-03
+
+JOB 52
+COORDS  1.4404290000e+00 -6.4454200000e-01 -1.0715670000e+00  1.9326640000e+00 -6.1740400000e-01 -1.8920540000e+00  5.6950600000e-01 -3.2210100000e-01 -1.3034190000e+00 -1.3755040000e+00  5.7071200000e-01  1.1476260000e+00 -1.1504670000e+00  1.4926630000e+00  1.0227380000e+00 -2.3305610000e+00  5.4663300000e-01  1.0883150000e+00
+ENERGY -1.526546724112e+02
+FORCES -2.6616000000e-03  1.0713000000e-03 -3.3165000000e-03 -2.0551000000e-03  2.5600000000e-05  3.4221000000e-03  4.8269000000e-03 -1.0462000000e-03 -9.4290000000e-04 -3.0889000000e-03  4.0123000000e-03  1.1772000000e-03 -1.2595000000e-03 -4.1044000000e-03 -2.0690000000e-04  4.2382000000e-03  4.1400000000e-05 -1.3300000000e-04
+
+JOB 53
+COORDS -1.4387030000e+00 -1.4332750000e+00 -8.4070000000e-02 -2.0990580000e+00 -1.0889350000e+00 -6.8539700000e-01 -1.0404310000e+00 -6.5522200000e-01  3.0611500000e-01  1.3894650000e+00  1.3929440000e+00  1.1138800000e-01  1.6985400000e+00  8.2442500000e-01 -5.9394200000e-01  2.1719840000e+00  1.5783260000e+00  6.3055000000e-01
+ENERGY -1.526569690290e+02
+FORCES -9.3660000000e-04  5.3869000000e-03 -9.8900000000e-05  2.5821000000e-03 -1.5725000000e-03  2.1241000000e-03 -2.7202000000e-03 -4.8134000000e-03 -2.1121000000e-03  5.8821000000e-03 -8.7430000000e-04 -7.8880000000e-04 -1.6705000000e-03  2.6083000000e-03  3.2562000000e-03 -3.1370000000e-03 -7.3500000000e-04 -2.3805000000e-03
+
+JOB 54
+COORDS  1.5938620000e+00  1.1773480000e+00 -6.1180000000e-01  2.1701790000e+00  4.3986700000e-01 -8.1232900000e-01  7.1855600000e-01  7.9257700000e-01 -5.6680400000e-01 -1.5758980000e+00 -1.1154480000e+00  5.6441000000e-01 -1.2384130000e+00 -5.4908700000e-01  1.2583640000e+00 -2.0605370000e+00 -1.7990810000e+00  1.0270150000e+00
+ENERGY -1.526560627034e+02
+FORCES -1.6755000000e-03 -5.2113000000e-03 -1.6784000000e-03 -1.8483000000e-03  3.2013000000e-03  9.4960000000e-04  4.3168000000e-03  2.7775000000e-03  9.9500000000e-04 -1.9841000000e-03 -1.5203000000e-03  5.4483000000e-03 -8.1380000000e-04 -2.1803000000e-03 -4.0080000000e-03  2.0049000000e-03  2.9332000000e-03 -1.7065000000e-03
+
+JOB 55
+COORDS -1.6017560000e+00 -1.1684340000e+00 -4.4906500000e-01 -2.4244320000e+00 -1.6544720000e+00 -3.9247100000e-01 -1.8248490000e+00 -2.8429500000e-01 -1.5793000000e-01  1.6104980000e+00  1.1545090000e+00  4.4365800000e-01  1.9187970000e+00  4.5034000000e-01 -1.2671700000e-01  2.4023600000e+00  1.6398560000e+00  6.7522600000e-01
+ENERGY -1.526554795892e+02
+FORCES -4.0311000000e-03  2.2682000000e-03  1.9509000000e-03  3.2540000000e-03  1.9368000000e-03 -2.3760000000e-04 -4.9300000000e-05 -4.2662000000e-03 -1.6781000000e-03  4.5310000000e-03 -1.6479000000e-03 -1.5606000000e-03 -5.3590000000e-04  3.6694000000e-03  2.4506000000e-03 -3.1687000000e-03 -1.9603000000e-03 -9.2520000000e-04
+
+JOB 56
+COORDS  1.9716140000e+00  7.8947200000e-01  4.3537000000e-02  2.8045160000e+00  3.9772000000e-01 -2.1921100000e-01  1.5563360000e+00  1.2455800000e-01  5.9277700000e-01 -1.9965770000e+00 -7.3798600000e-01  1.0643000000e-02 -2.5100390000e+00 -1.2285000000e-01 -5.1299500000e-01 -1.4725270000e+00 -1.2191320000e+00 -6.2975000000e-01
+ENERGY -1.526550531031e+02
+FORCES  1.3365000000e-03 -3.9682000000e-03  2.0900000000e-03 -3.5633000000e-03  1.4531000000e-03  8.5200000000e-04  2.7537000000e-03  2.4718000000e-03 -2.8639000000e-03 -3.8030000000e-04  1.3775000000e-03 -5.3509000000e-03  1.7094000000e-03 -2.8927000000e-03  2.1330000000e-03 -1.8559000000e-03  1.5584000000e-03  3.1399000000e-03
+
+JOB 57
+COORDS -2.6964500000e-01  7.2884200000e-01 -2.0742800000e+00 -3.0932000000e-02 -1.8530300000e-01 -1.9207000000e+00 -7.8967800000e-01  9.7296600000e-01 -1.3086420000e+00  3.2392800000e-01 -6.3820800000e-01  2.0093850000e+00  2.0643700000e-01 -1.4273950000e+00  1.4806020000e+00 -2.7689500000e-01 -7.5118300000e-01  2.7459170000e+00
+ENERGY -1.526543782248e+02
+FORCES -5.3630000000e-04 -2.2103000000e-03  4.7786000000e-03 -1.1813000000e-03  3.0723000000e-03 -9.3520000000e-04  1.4246000000e-03 -1.0766000000e-03 -4.0428000000e-03 -2.2929000000e-03 -4.1196000000e-03  2.2109000000e-03  1.2510000000e-04  3.7927000000e-03  1.3382000000e-03  2.4608000000e-03  5.4150000000e-04 -3.3497000000e-03
+
+JOB 58
+COORDS -1.2369210000e+00 -1.1547060000e+00 -1.2717200000e+00 -2.1109730000e+00 -1.0721930000e+00 -1.6531090000e+00 -1.3454350000e+00 -1.7812830000e+00 -5.5627800000e-01  1.2338950000e+00  1.1586190000e+00  1.2445340000e+00  1.8426780000e+00  1.2986510000e+00  5.1927100000e-01  1.6867490000e+00  1.5129150000e+00  2.0097980000e+00
+ENERGY -1.526539479085e+02
+FORCES -3.8664000000e-03 -1.7342000000e-03  2.4140000000e-03  3.5384000000e-03 -3.8240000000e-04  1.3595000000e-03  1.2290000000e-04  1.9494000000e-03 -3.4461000000e-03  4.2417000000e-03  1.9577000000e-03 -8.2410000000e-04 -2.0030000000e-03 -2.3010000000e-04  3.5264000000e-03 -2.0336000000e-03 -1.5603000000e-03 -3.0297000000e-03
+
+JOB 59
+COORDS -1.6966280000e+00 -1.2830970000e+00  9.1036000000e-02 -1.1303890000e+00 -1.9390510000e+00  4.9764200000e-01 -2.1876850000e+00 -1.7679660000e+00 -5.7228800000e-01  1.6647680000e+00  1.3797590000e+00 -1.2942800000e-01  1.1533320000e+00  9.3460000000e-01  5.4621900000e-01  2.5762610000e+00  1.2164780000e+00  1.1295900000e-01
+ENERGY -1.526543705816e+02
+FORCES -2.9520000000e-04 -4.8572000000e-03 -2.1384000000e-03 -1.8997000000e-03  3.1965000000e-03 -1.2772000000e-03  1.8868000000e-03  1.7150000000e-03  3.0126000000e-03  5.0360000000e-04 -2.4851000000e-03  3.6657000000e-03  3.4732000000e-03  1.9652000000e-03 -2.2400000000e-03 -3.6686000000e-03  4.6550000000e-04 -1.0228000000e-03
+
+JOB 60
+COORDS -5.6020000000e-03 -1.5661900000e-01  2.1106430000e+00  9.3857600000e-01 -2.4656200000e-01  1.9815320000e+00 -1.0389200000e-01  2.3507000000e-02  3.0455900000e+00 -9.2267000000e-02  1.3846600000e-01 -2.2128040000e+00 -1.4047300000e-01  7.9752900000e-01 -1.5203130000e+00  7.3208700000e-01 -3.2019400000e-01 -2.0506240000e+00
+ENERGY -1.526544578518e+02
+FORCES  3.0252000000e-03 -1.7360000000e-04  4.3681000000e-03 -3.9010000000e-03  7.3430000000e-04 -2.1360000000e-04  5.4320000000e-04 -7.6000000000e-04 -3.9610000000e-03  2.3464000000e-03  5.7340000000e-04  4.5427000000e-03  8.3630000000e-04 -2.2501000000e-03 -3.8850000000e-03 -2.8501000000e-03  1.8760000000e-03 -8.5120000000e-04
+
+JOB 61
+COORDS -2.1420400000e-01 -2.0231700000e+00 -9.3026300000e-01  6.9863200000e-01 -2.0354420000e+00 -6.4249200000e-01 -5.9994100000e-01 -2.8066460000e+00 -5.3833800000e-01  2.0045200000e-01  2.0669750000e+00  9.5512600000e-01 -4.7232800000e-01  1.5328720000e+00  5.3283300000e-01  5.9930100000e-01  2.5610090000e+00  2.3882800000e-01
+ENERGY -1.526556764191e+02
+FORCES  2.4439000000e-03 -3.9105000000e-03  2.8550000000e-03 -3.9368000000e-03  2.3200000000e-05 -1.4426000000e-03  1.5831000000e-03  3.2336000000e-03 -1.6497000000e-03 -1.6128000000e-03 -5.7320000000e-04 -5.0030000000e-03  2.8768000000e-03  3.0801000000e-03  2.2728000000e-03 -1.3541000000e-03 -1.8532000000e-03  2.9676000000e-03
+
+JOB 62
+COORDS  1.7624870000e+00  1.2418940000e+00 -5.0148900000e-01  1.6742670000e+00  2.1950200000e+00 -5.0160000000e-01  2.7033720000e+00  1.0879580000e+00 -5.8676000000e-01 -1.7583500000e+00 -1.2553830000e+00  4.9015400000e-01 -2.0608500000e+00 -2.1058280000e+00  1.7161200000e-01 -2.4296380000e+00 -9.8040600000e-01  1.1146470000e+00
+ENERGY -1.526526571863e+02
+FORCES  3.1076000000e-03  3.0557000000e-03 -2.1480000000e-04  4.1670000000e-04 -3.8370000000e-03  1.5000000000e-05 -3.8505000000e-03  5.7960000000e-04  2.9740000000e-04 -3.6193000000e-03 -2.1664000000e-03  1.1333000000e-03  1.2483000000e-03  3.4477000000e-03  1.3286000000e-03  2.6971000000e-03 -1.0796000000e-03 -2.5595000000e-03
+
+JOB 63
+COORDS  1.9012100000e-01 -1.5997910000e+00 -1.5855410000e+00  5.3108900000e-01 -1.6216150000e+00 -2.4796870000e+00 -7.5010200000e-01 -1.4543570000e+00 -1.6907190000e+00 -1.3628100000e-01  1.6065900000e+00  1.5732690000e+00  1.2517300000e-01  2.0254550000e+00  2.3932850000e+00 -8.0972100000e-01  9.7654100000e-01  1.8296830000e+00
+ENERGY -1.526535043057e+02
+FORCES -2.1247000000e-03  1.3414000000e-03 -4.1348000000e-03 -1.4169000000e-03 -1.6430000000e-04  3.5706000000e-03  3.5937000000e-03 -9.5130000000e-04  6.4050000000e-04 -1.2282000000e-03 -1.5653000000e-03  4.2807000000e-03 -1.0693000000e-03 -1.5895000000e-03 -3.3701000000e-03  2.2454000000e-03  2.9291000000e-03 -9.8690000000e-04
+
+JOB 64
+COORDS -6.3872800000e-01 -2.1192050000e+00  8.1958400000e-01 -3.4524300000e-01 -2.6672630000e+00  9.1758000000e-02  1.1926800000e-01 -1.5739750000e+00  1.0302920000e+00  5.8208300000e-01  2.0542890000e+00 -7.7931600000e-01  8.8344900000e-01  2.7814100000e+00 -2.3460900000e-01  1.1476400000e-01  2.4733940000e+00 -1.5019470000e+00
+ENERGY -1.526548147724e+02
+FORCES  4.4894000000e-03  1.1419000000e-03 -2.6481000000e-03 -1.2913000000e-03  1.7501000000e-03  2.9553000000e-03 -2.9652000000e-03 -3.1556000000e-03 -9.2200000000e-05 -1.3026000000e-03  4.9260000000e-03 -9.3350000000e-04 -1.0953000000e-03 -3.1129000000e-03 -2.1758000000e-03  2.1651000000e-03 -1.5496000000e-03  2.8943000000e-03
+
+JOB 65
+COORDS  1.4217570000e+00 -1.9070900000e+00  2.4506600000e-01  6.5408100000e-01 -1.9635440000e+00 -3.2389700000e-01  2.0417110000e+00 -1.3638790000e+00 -2.4156600000e-01 -1.3535260000e+00  1.8661820000e+00 -1.3484200000e-01 -1.3623790000e+00  2.3024860000e+00 -9.8677600000e-01 -2.2630870000e+00  1.6060950000e+00  1.1051000000e-02
+ENERGY -1.526541521889e+02
+FORCES -1.1267000000e-03  3.1860000000e-03 -4.0272000000e-03  3.1969000000e-03 -5.9390000000e-04  2.0300000000e-03 -2.0598000000e-03 -2.6516000000e-03  1.7297000000e-03 -4.1030000000e-03  1.2000000000e-03 -2.2889000000e-03  2.6540000000e-04 -2.1118000000e-03  3.4123000000e-03  3.8273000000e-03  9.7130000000e-04 -8.5600000000e-04
+
+JOB 66
+COORDS -9.1142100000e-01  1.8221720000e+00  1.5150800000e+00 -9.3347400000e-01  1.0462730000e+00  9.5496700000e-01 -1.6659550000e+00  1.7208360000e+00  2.0952880000e+00  9.6928600000e-01 -1.8256240000e+00 -1.4734430000e+00  6.8543600000e-01 -9.3804800000e-01 -1.2546480000e+00  1.0026170000e+00 -1.8379820000e+00 -2.4299820000e+00
+ENERGY -1.526537243717e+02
+FORCES -3.5074000000e-03 -3.6957000000e-03  8.3260000000e-04  6.3630000000e-04  3.2401000000e-03  1.3994000000e-03  3.1257000000e-03  5.5290000000e-04 -2.4687000000e-03 -3.0680000000e-04  3.5631000000e-03 -3.5268000000e-03  2.7410000000e-04 -3.6518000000e-03 -2.7570000000e-04 -2.2190000000e-04 -8.7000000000e-06  4.0392000000e-03
+
+JOB 67
+COORDS -1.3519610000e+00 -2.0771150000e+00 -2.7898100000e-01 -1.9163230000e+00 -1.9605080000e+00 -1.0432650000e+00 -1.9583280000e+00 -2.2245270000e+00  4.4684400000e-01  1.4441980000e+00  2.1112140000e+00  3.3073900000e-01  1.6494430000e+00  2.1872880000e+00 -6.0109700000e-01  7.8446300000e-01  1.4191280000e+00  3.7544500000e-01
+ENERGY -1.526551768096e+02
+FORCES -5.1679000000e-03 -1.1129000000e-03 -1.1160000000e-04  2.4948000000e-03 -1.7920000000e-04  3.2010000000e-03  2.5567000000e-03  8.2740000000e-04 -3.1034000000e-03 -1.8689000000e-03 -3.2958000000e-03 -3.5886000000e-03 -7.8140000000e-04  1.0100000000e-05  3.6231000000e-03  2.7667000000e-03  3.7506000000e-03 -2.0500000000e-05
+
+JOB 68
+COORDS -6.9990000000e-03 -2.4983760000e+00  7.4866100000e-01 -3.0176800000e-01 -1.7071650000e+00  2.9774100000e-01  7.8722500000e-01 -2.2296540000e+00  1.2104270000e+00  2.2768000000e-02  2.3844700000e+00 -7.2641400000e-01  3.0825500000e-01  3.2735680000e+00 -9.3673400000e-01 -9.2340500000e-01  2.3957490000e+00 -8.7084700000e-01
+ENERGY -1.526551542091e+02
+FORCES  2.3743000000e-03  4.9190000000e-03 -1.5300000000e-04  6.1410000000e-04 -3.7639000000e-03  1.8761000000e-03 -3.1457000000e-03 -1.4933000000e-03 -1.6226000000e-03 -2.5076000000e-03  4.3873000000e-03 -1.6630000000e-03 -1.2917000000e-03 -3.6213000000e-03  8.6230000000e-04  3.9565000000e-03 -4.2780000000e-04  7.0030000000e-04
+
+JOB 69
+COORDS -1.1199760000e+00  1.8734480000e+00 -1.5893800000e+00 -1.8346400000e-01  1.9322380000e+00 -1.4003790000e+00 -1.2890480000e+00  9.3521400000e-01 -1.6751930000e+00  1.0939860000e+00 -1.7662470000e+00  1.5297750000e+00  1.3540650000e+00 -2.6865980000e+00  1.5690950000e+00  5.1145400000e-01 -1.6492060000e+00  2.2802350000e+00
+ENERGY -1.526550617400e+02
+FORCES  3.5377000000e-03 -3.9846000000e-03  7.3640000000e-04 -3.8978000000e-03  2.2320000000e-04 -1.0224000000e-03  2.3920000000e-04  3.9503000000e-03  4.9700000000e-05 -1.1455000000e-03 -3.4328000000e-03  3.6626000000e-03 -1.1333000000e-03  3.7942000000e-03 -2.1050000000e-04  2.3996000000e-03 -5.5030000000e-04 -3.2159000000e-03
+
+JOB 70
+COORDS -1.5297320000e+00 -9.3879300000e-01 -1.9722750000e+00 -1.3299350000e+00 -1.8491520000e+00 -1.7541930000e+00 -2.2875420000e+00 -9.9227300000e-01 -2.5545950000e+00  1.6283420000e+00  9.8161000000e-01  1.9934630000e+00  9.6888600000e-01  5.1225300000e-01  2.5043970000e+00  1.1238180000e+00  1.5795860000e+00  1.4419990000e+00
+ENERGY -1.526545939877e+02
+FORCES -2.0748000000e-03 -4.1415000000e-03 -1.7916000000e-03 -1.0261000000e-03  3.7689000000e-03 -8.0110000000e-04  3.0760000000e-03  2.4350000000e-04  2.4513000000e-03 -5.0473000000e-03  4.7560000000e-04 -7.5620000000e-04  2.7895000000e-03  1.7972000000e-03 -1.7672000000e-03  2.2826000000e-03 -2.1437000000e-03  2.6648000000e-03
+
+JOB 71
+COORDS  1.3771540000e+00 -9.5043600000e-01 -2.1553330000e+00  1.1013200000e+00 -1.4889450000e+00 -1.4136090000e+00  8.5811900000e-01 -1.2728520000e+00 -2.8921390000e+00 -1.2872930000e+00  1.0407290000e+00  2.2070200000e+00 -1.1274640000e+00  1.6007200000e-01  1.8677130000e+00 -1.9866720000e+00  1.3879620000e+00  1.6533680000e+00
+ENERGY -1.526536015484e+02
+FORCES -2.7817000000e-03 -3.6127000000e-03 -2.2430000000e-04  7.2420000000e-04  2.3467000000e-03 -2.8558000000e-03  2.0131000000e-03  1.3928000000e-03  3.1818000000e-03 -2.0278000000e-03 -1.8149000000e-03 -3.8691000000e-03 -6.5980000000e-04  3.2489000000e-03  1.3805000000e-03  2.7320000000e-03 -1.5609000000e-03  2.3870000000e-03
+
+JOB 72
+COORDS -2.1719250000e+00  1.5385580000e+00 -1.3938430000e+00 -2.1195770000e+00  5.9962900000e-01 -1.5724600000e+00 -1.9641160000e+00  1.6176890000e+00 -4.6283000000e-01  2.1089010000e+00 -1.5290730000e+00  1.3854810000e+00  2.8857670000e+00 -1.1359190000e+00  1.7831500000e+00  2.1862620000e+00 -1.3238030000e+00  4.5375600000e-01
+ENERGY -1.526544969800e+02
+FORCES  7.9520000000e-04 -3.6027000000e-03  3.3309000000e-03 -5.3000000000e-05  3.8704000000e-03  5.2410000000e-04 -7.8730000000e-04 -1.6730000000e-04 -3.9704000000e-03  3.9448000000e-03  2.2884000000e-03 -2.0765000000e-03 -3.2493000000e-03 -1.5939000000e-03 -1.6445000000e-03 -6.5040000000e-04 -7.9490000000e-04  3.8363000000e-03
+
+JOB 73
+COORDS  1.5813610000e+00  2.5274860000e+00 -5.7292000000e-02  2.3023550000e+00  2.8875410000e+00  4.5919500000e-01  1.0496600000e+00  2.0455360000e+00  5.7615100000e-01 -1.6264210000e+00 -2.5626770000e+00 -1.1853000000e-02 -1.7052060000e+00 -1.6257780000e+00 -1.9142300000e-01 -7.6741100000e-01 -2.6567230000e+00  3.9983700000e-01
+ENERGY -1.526538690797e+02
+FORCES  1.0512000000e-03  1.3000000000e-06  4.7604000000e-03 -3.0271000000e-03 -1.5750000000e-03 -2.1223000000e-03  1.9731000000e-03  1.5123000000e-03 -2.7758000000e-03  3.2098000000e-03  3.3094000000e-03  5.0460000000e-04  3.5530000000e-04 -3.7749000000e-03  1.1011000000e-03 -3.5624000000e-03  5.2690000000e-04 -1.4680000000e-03
+
+JOB 74
+COORDS -7.2124800000e-01 -2.1580920000e+00  2.0325600000e+00  7.4652000000e-02 -1.7368280000e+00  2.3570760000e+00 -1.1891410000e+00 -2.4281090000e+00  2.8227500000e+00  6.8026400000e-01  2.1356390000e+00 -2.1567220000e+00  1.5393890000e+00  1.8586820000e+00 -1.8382410000e+00  3.4992500000e-01  2.7225280000e+00 -1.4765240000e+00
+ENERGY -1.526537386452e+02
+FORCES  1.2368000000e-03  4.7340000000e-04  4.4904000000e-03 -3.1851000000e-03 -1.5834000000e-03 -1.3453000000e-03  1.9438000000e-03  1.1493000000e-03 -3.2351000000e-03  1.9254000000e-03  9.8490000000e-04  4.1206000000e-03 -3.3935000000e-03  1.2371000000e-03 -1.2579000000e-03  1.4726000000e-03 -2.2612000000e-03 -2.7727000000e-03
+
+JOB 75
+COORDS -6.4723400000e-01 -3.0151420000e+00 -1.2374950000e+00 -6.4795800000e-01 -3.6370200000e+00 -5.0982700000e-01 -1.3684320000e+00 -2.4167430000e+00 -1.0424980000e+00  7.2638500000e-01  3.0102170000e+00  1.2176110000e+00  6.7509700000e-01  3.6274800000e+00  4.8782500000e-01 -1.1395400000e-01  2.5520970000e+00  1.2039570000e+00
+ENERGY -1.526538635168e+02
+FORCES -2.7838000000e-03 -2.3880000000e-04  3.8278000000e-03 -8.3400000000e-05  2.5655000000e-03 -3.0086000000e-03  2.8980000000e-03 -2.2739000000e-03 -7.9760000000e-04 -3.4628000000e-03  6.2850000000e-04 -3.1943000000e-03  1.3600000000e-04 -2.4885000000e-03  3.0453000000e-03  3.2960000000e-03  1.8072000000e-03  1.2750000000e-04
+
+JOB 76
+COORDS -2.0871880000e+00  2.4714200000e+00 -9.7623100000e-01 -1.7942160000e+00  3.3782000000e+00 -1.0665040000e+00 -1.2951160000e+00  1.9494340000e+00 -1.1042340000e+00  2.0640740000e+00 -2.4396230000e+00  1.0255910000e+00  1.6616890000e+00 -2.3220860000e+00  1.6506600000e-01  1.9432940000e+00 -3.3686100000e+00  1.2221290000e+00
+ENERGY -1.526540607466e+02
+FORCES  4.5046000000e-03  1.6998000000e-03 -6.6080000000e-04 -1.2330000000e-03 -3.7061000000e-03  2.9370000000e-04 -3.2747000000e-03  1.9663000000e-03  3.3180000000e-04 -2.1924000000e-03 -3.5466000000e-03 -2.5453000000e-03  1.6543000000e-03 -2.2730000000e-04  3.4266000000e-03  5.4110000000e-04  3.8138000000e-03 -8.4590000000e-04
+
+JOB 77
+COORDS  2.3564550000e+00 -2.0050220000e+00 -1.3563200000e+00  1.6500560000e+00 -1.3986770000e+00 -1.5789790000e+00  2.7887730000e+00 -2.1866500000e+00 -2.1907930000e+00 -2.3346570000e+00  2.0246510000e+00  1.4633420000e+00 -2.7366340000e+00  2.1362930000e+00  6.0184200000e-01 -2.0687770000e+00  1.1054180000e+00  1.4868040000e+00
+ENERGY -1.526539366694e+02
+FORCES -8.3100000000e-04  1.7613000000e-03 -4.3977000000e-03  2.6392000000e-03 -2.5162000000e-03  1.0165000000e-03 -1.8369000000e-03  7.4040000000e-04  3.4216000000e-03 -6.3580000000e-04 -3.3188000000e-03 -3.1572000000e-03  1.7514000000e-03 -4.9240000000e-04  3.4242000000e-03 -1.0869000000e-03  3.8258000000e-03 -3.0730000000e-04
+
+JOB 78
+COORDS -1.3474830000e+00 -5.9302300000e-01  3.1173690000e+00 -5.4987500000e-01 -4.3031400000e-01  2.6138020000e+00 -1.9243330000e+00  1.3808100000e-01  2.8960930000e+00  1.2993660000e+00  5.9902900000e-01 -3.0752840000e+00  1.7959730000e+00  1.9808500000e-01 -2.3619420000e+00  1.4338520000e+00  1.3182000000e-02 -3.8202200000e+00
+ENERGY -1.526541685418e+02
+FORCES  7.5070000000e-04  3.7803000000e-03 -3.0442000000e-03 -3.0859000000e-03 -7.8890000000e-04  2.0644000000e-03  2.3691000000e-03 -3.0213000000e-03  1.0028000000e-03  2.6599000000e-03 -4.1015000000e-03 -4.4560000000e-04 -2.1600000000e-03  1.7122000000e-03 -2.6716000000e-03 -5.3390000000e-04  2.4192000000e-03  3.0943000000e-03
+
+JOB 79
+COORDS  3.2440330000e+00  6.9385700000e-01  1.1171990000e+00  3.1055640000e+00  1.3479030000e+00  1.8022400000e+00  4.0610670000e+00  2.5932800000e-01  1.3618850000e+00 -3.2952030000e+00 -6.7609900000e-01 -1.1160920000e+00 -2.4638480000e+00 -1.1162480000e+00 -1.2931530000e+00 -3.8107220000e+00 -8.0782300000e-01 -1.9117800000e+00
+ENERGY -1.526542424097e+02
+FORCES  2.6840000000e-03  1.0155000000e-03  3.8939000000e-03  6.6850000000e-04 -2.6941000000e-03 -2.8038000000e-03 -3.3290000000e-03  1.7300000000e-03 -1.0411000000e-03  1.5806000000e-03 -2.2539000000e-03 -3.9209000000e-03 -3.6249000000e-03  1.6763000000e-03  6.4410000000e-04  2.0210000000e-03  5.2620000000e-04  3.2278000000e-03
+
+JOB 80
+COORDS  3.5437050000e+00 -1.7261500000e-01  4.0499900000e-01  4.3771330000e+00 -5.5277700000e-01  1.2731800000e-01  2.8939020000e+00 -8.4610300000e-01  2.0400100000e-01 -3.5812020000e+00  2.4291600000e-01 -3.2649400000e-01 -3.4350710000e+00 -6.1678200000e-01 -7.2120400000e-01 -3.1726240000e+00  8.5882800000e-01 -9.3472800000e-01
+ENERGY -1.526539800274e+02
+FORCES  7.9450000000e-04 -4.3228000000e-03 -1.7597000000e-03 -3.4370000000e-03  1.5593000000e-03  1.0891000000e-03  2.6275000000e-03  2.7642000000e-03  6.6280000000e-04  2.2408000000e-03 -8.1640000000e-04 -4.0626000000e-03 -5.1910000000e-04  3.4398000000e-03  1.6260000000e-03 -1.7066000000e-03 -2.6240000000e-03  2.4442000000e-03
+
+JOB 81
+COORDS -1.7491240000e+00  7.7772100000e-01  3.4124260000e+00 -2.5001400000e+00  2.9110100000e-01  3.7521430000e+00 -1.6009670000e+00  4.1224200000e-01  2.5402410000e+00  1.8159140000e+00 -6.7399300000e-01 -3.3969340000e+00  1.7999180000e+00 -1.2412020000e+00 -2.6260580000e+00  1.2178470000e+00 -1.0931030000e+00 -4.0157180000e+00
+ENERGY -1.526539277925e+02
+FORCES -2.4815000000e-03 -3.3395000000e-03 -2.1833000000e-03  3.0896000000e-03  1.9492000000e-03 -1.4073000000e-03 -5.9230000000e-04  1.3610000000e-03  3.5751000000e-03 -2.3329000000e-03 -4.0344000000e-03  5.0550000000e-04 -7.5000000000e-05  2.3438000000e-03 -3.0925000000e-03  2.3922000000e-03  1.7198000000e-03  2.6025000000e-03
+
+JOB 82
+COORDS  3.7904810000e+00 -2.1019500000e-01 -1.6435250000e+00  4.3139800000e+00 -9.0697900000e-01 -2.0393430000e+00  4.0690950000e+00 -1.9128700000e-01 -7.2796600000e-01 -3.8266530000e+00  3.0704900000e-01  1.6345320000e+00 -4.2591220000e+00 -4.3681900000e-01  2.0538930000e+00 -3.6643280000e+00  1.5679000000e-02  7.3732100000e-01
+ENERGY -1.526541251056e+02
+FORCES  3.3076000000e-03 -2.6719000000e-03  2.1879000000e-03 -2.1691000000e-03  2.8141000000e-03  1.5975000000e-03 -1.1179000000e-03 -1.3200000000e-04 -3.7757000000e-03 -1.0183000000e-03 -4.1821000000e-03 -2.0654000000e-03  1.7553000000e-03  3.0207000000e-03 -1.6669000000e-03 -7.5760000000e-04  1.1512000000e-03  3.7226000000e-03
+
+JOB 83
+COORDS  3.5478340000e+00 -1.7852130000e+00 -1.4480500000e+00  2.7497200000e+00 -1.2787760000e+00 -1.2971630000e+00  4.1967210000e+00 -1.1355990000e+00 -1.7185680000e+00 -3.5535230000e+00  1.6853770000e+00  1.4888440000e+00 -4.0274000000e+00  2.4585850000e+00  1.1825410000e+00 -2.7317010000e+00  1.6976040000e+00  9.9824200000e-01
+ENERGY -1.526538758201e+02
+FORCES -5.5530000000e-04  4.6337000000e-03 -4.6200000000e-04  3.2176000000e-03 -1.9816000000e-03 -6.3310000000e-04 -2.6972000000e-03 -2.6268000000e-03  1.1038000000e-03  1.3001000000e-03  3.2235000000e-03 -3.2023000000e-03  1.9867000000e-03 -3.1710000000e-03  1.2369000000e-03 -3.2518000000e-03 -7.7800000000e-05  1.9568000000e-03
+
+JOB 84
+COORDS  1.8424650000e+00  3.3133360000e+00 -2.5131780000e+00  2.4627750000e+00  3.8537210000e+00 -3.0024950000e+00  1.4460290000e+00  3.9144080000e+00 -1.8824780000e+00 -1.8483990000e+00 -3.3755350000e+00  2.5746780000e+00 -2.6199080000e+00 -3.6196190000e+00  2.0633770000e+00 -1.1854920000e+00 -3.1573850000e+00  1.9195460000e+00
+ENERGY -1.526542287044e+02
+FORCES  9.4810000000e-04  4.7144000000e-03  5.8380000000e-04 -2.5374000000e-03 -2.2126000000e-03  1.9899000000e-03  1.6022000000e-03 -2.4792000000e-03 -2.5858000000e-03 -3.8580000000e-04 -6.2100000000e-05 -4.8290000000e-03  3.1055000000e-03  9.7320000000e-04  2.1159000000e-03 -2.7326000000e-03 -9.3370000000e-04  2.7253000000e-03
+
+JOB 85
+COORDS -3.9723080000e+00  2.5411040000e+00  4.3597000000e-01 -3.3660720000e+00  3.2666040000e+00  2.8644100000e-01 -3.5830060000e+00  2.0480100000e+00  1.1581430000e+00  3.9097560000e+00 -2.5907760000e+00 -5.1469100000e-01  3.7417630000e+00 -1.6546220000e+00 -4.0686500000e-01  4.2538300000e+00 -2.8720610000e+00  3.3308500000e-01
+ENERGY -1.526539582854e+02
+FORCES  4.0064000000e-03  9.2790000000e-04  2.3052000000e-03 -2.4410000000e-03 -2.9715000000e-03  6.3090000000e-04 -1.5474000000e-03  2.0354000000e-03 -2.9364000000e-03  7.5860000000e-04  2.6216000000e-03  3.8535000000e-03  6.5390000000e-04 -3.7936000000e-03 -4.0230000000e-04 -1.4305000000e-03  1.1802000000e-03 -3.4508000000e-03
+
+JOB 86
+COORDS  1.1632000000e+00 -4.5491230000e+00 -1.3742860000e+00  1.1970030000e+00 -4.3151960000e+00 -4.4672600000e-01  2.0757490000e+00 -4.5222460000e+00 -1.6619750000e+00 -1.1777570000e+00  4.4867720000e+00  1.3083730000e+00 -9.4312400000e-01  4.9353590000e+00  2.1207460000e+00 -2.0032270000e+00  4.8908530000e+00  1.0408860000e+00
+ENERGY -1.526540927859e+02
+FORCES  3.8318000000e-03  1.2189000000e-03  2.6217000000e-03 -1.1810000000e-04 -1.0497000000e-03 -3.7713000000e-03 -3.7020000000e-03 -1.7160000000e-04  1.1608000000e-03 -2.4623000000e-03  3.4830000000e-03  2.1735000000e-03 -9.3150000000e-04 -1.8480000000e-03 -3.3005000000e-03  3.3821000000e-03 -1.6325000000e-03  1.1158000000e-03
+
+JOB 87
+COORDS -2.8673300000e+00  4.2309000000e+00 -1.9769000000e-01 -3.7949340000e+00  3.9990890000e+00 -1.5246400000e-01 -2.6649260000e+00  4.2294070000e+00 -1.1332440000e+00  2.8974310000e+00 -4.2706590000e+00  2.8018000000e-01  3.4824020000e+00 -3.5630600000e+00  5.5100100000e-01  2.5036730000e+00 -3.9580360000e+00 -5.3434600000e-01
+ENERGY -1.526540957274e+02
+FORCES -3.0269000000e-03 -9.1140000000e-04 -3.5994000000e-03  3.8056000000e-03  9.3940000000e-04 -2.0400000000e-04 -7.8180000000e-04 -2.6300000000e-05  3.8116000000e-03  7.6350000000e-04  4.2179000000e-03 -2.1641000000e-03 -2.3642000000e-03 -2.9161000000e-03 -1.1306000000e-03  1.6038000000e-03 -1.3035000000e-03  3.2865000000e-03
+
+JOB 88
+COORDS -1.0858090000e+00  1.2416200000e+00  5.5019260000e+00 -9.6655700000e-01  1.5481190000e+00  4.6029990000e+00 -9.0188200000e-01  2.0091100000e+00  6.0435550000e+00  1.1248520000e+00 -1.3273920000e+00 -5.4980300000e+00  5.1704100000e-01 -1.4951180000e+00 -4.7778450000e+00  7.3845600000e-01 -5.9069200000e-01 -5.9715310000e+00
+ENERGY -1.526540527532e+02
+FORCES  1.2731000000e-03  4.3861000000e-03 -1.4131000000e-03 -5.1240000000e-04 -1.2599000000e-03  3.6356000000e-03 -7.6340000000e-04 -3.1302000000e-03 -2.2253000000e-03 -4.0672000000e-03  2.2697000000e-03  9.8430000000e-04  2.4873000000e-03  7.2120000000e-04 -2.9307000000e-03  1.5826000000e-03 -2.9869000000e-03  1.9492000000e-03
+
+JOB 89
+COORDS  4.7541730000e+00  4.0460980000e+00  7.1872000000e-01  5.1333960000e+00  4.6259420000e+00  5.8264000000e-02  5.3354840000e+00  3.2857620000e+00  7.3278100000e-01 -4.8559730000e+00 -4.0718440000e+00 -6.4718000000e-01 -5.0540830000e+00 -3.3013830000e+00 -1.1795090000e+00 -3.9064420000e+00 -4.1723280000e+00 -7.1446000000e-01
+ENERGY -1.526540926846e+02
+FORCES  3.9544000000e-03 -7.0110000000e-04 -2.6030000000e-03 -1.5615000000e-03 -2.3808000000e-03  2.6819000000e-03 -2.3934000000e-03  3.0854000000e-03 -7.4800000000e-05  3.0740000000e-03  2.7745000000e-03 -2.4160000000e-03  7.9920000000e-04 -3.1615000000e-03  2.1529000000e-03 -3.8727000000e-03  3.8350000000e-04  2.5900000000e-04
+
+JOB 0
+COORDS  2.6662700000e-01 -1.1084070000e+00 -6.8395600000e-01  4.1441300000e-01 -3.1653700000e-01 -1.2009990000e+00  1.1242250000e+00 -1.5315460000e+00 -6.4259500000e-01 -3.5507100000e-01  1.1426290000e+00  7.1818800000e-01 -5.5937400000e-01  3.8761700000e-01  1.6641800000e-01  4.8803800000e-01  9.2730200000e-01  1.1169780000e+00
+ENERGY -1.526538546948e+02
+FORCES  3.7751000000e-03  5.4060000000e-03  2.5330000000e-03 -4.4437000000e-03 -2.1271000000e-03  7.4421000000e-03 -3.5425000000e-03  3.0148000000e-03 -4.0180000000e-04  4.7932000000e-03 -1.4870400000e-02 -1.1972000000e-03  4.9860000000e-04  5.8208000000e-03 -7.3563000000e-03 -1.0806000000e-03  2.7558000000e-03 -1.0199000000e-03
+
+JOB 1
+COORDS -4.9507200000e-01  1.1269840000e+00  5.6003000000e-01 -9.0870000000e-02  1.4557740000e+00 -2.4293300000e-01  2.1141100000e-01  1.1368680000e+00  1.2057980000e+00  4.2112900000e-01 -1.1952320000e+00 -5.8694400000e-01  1.2548940000e+00 -1.1894880000e+00 -1.1680100000e-01  3.5024000000e-02 -3.3926300000e-01 -4.0128200000e-01
+ENERGY -1.526527731890e+02
+FORCES  5.6850000000e-03 -1.4859000000e-03  1.0047000000e-03 -1.4736000000e-03 -1.0358800000e-02  3.2982000000e-03 -2.9600000000e-03 -1.3529000000e-03 -4.7835000000e-03 -4.8310000000e-03  1.1076700000e-02  9.5244000000e-03 -2.6715000000e-03  1.3086000000e-03 -1.0459000000e-03  6.2511000000e-03  8.1240000000e-04 -7.9980000000e-03
+
+JOB 2
+COORDS  1.1825660000e+00 -6.4774900000e-01  3.5277000000e-01  9.3790400000e-01 -1.5410870000e+00  1.1127600000e-01  4.6265400000e-01 -1.0604600000e-01  2.9480000000e-02 -1.1077710000e+00  6.5929200000e-01 -3.8104900000e-01 -1.6774180000e+00  6.8933000000e-02  1.1211400000e-01 -8.8864100000e-01  1.3548730000e+00  2.3893500000e-01
+ENERGY -1.526581398542e+02
+FORCES -1.3565200000e-02  4.8335000000e-03 -8.1635000000e-03 -2.5770000000e-04  2.5058000000e-03  1.3027000000e-03  7.1737000000e-03 -1.3466000000e-03  7.4827000000e-03 -1.7990000000e-04 -1.5575000000e-03  5.6857000000e-03  4.8540000000e-03  2.2769000000e-03 -2.7209000000e-03  1.9751000000e-03 -6.7120000000e-03 -3.5866000000e-03
+
+JOB 3
+COORDS -3.3830000000e-01 -6.5791400000e-01  1.0915850000e+00 -5.5383000000e-02 -4.6302400000e-01  1.9850090000e+00 -1.2363320000e+00 -3.2958100000e-01  1.0472210000e+00  3.5148300000e-01  6.7565000000e-01 -1.1684870000e+00  9.2003200000e-01  1.7614000000e-02 -1.5684520000e+00  2.3902200000e-01  3.7871600000e-01 -2.6548400000e-01
+ENERGY -1.526599318497e+02
+FORCES -2.2677000000e-03  1.9082000000e-03 -1.1270000000e-03 -1.7145000000e-03 -1.7730000000e-04 -5.3512000000e-03  6.7921000000e-03 -1.2110000000e-04  7.2300000000e-05 -5.1700000000e-04 -1.0424300000e-02  1.2136000000e-02 -1.2586000000e-03  1.9490000000e-03  8.8450000000e-04 -1.0343000000e-03  6.8655000000e-03 -6.6146000000e-03
+
+JOB 4
+COORDS -6.5877000000e-02  8.3031100000e-01  1.1279380000e+00 -8.8743500000e-01  1.0534120000e+00  6.9033200000e-01 -3.1625100000e-01  1.9575400000e-01  1.7994150000e+00  1.1731700000e-01 -7.6572200000e-01 -1.1852930000e+00 -9.3631000000e-02 -6.5490000000e-01 -2.5822700000e-01  3.7137900000e-01 -1.6851080000e+00 -1.2653670000e+00
+ENERGY -1.526550492763e+02
+FORCES -3.3859000000e-03  2.6694000000e-03 -1.3870000000e-04  5.0664000000e-03 -4.4580000000e-03  1.8454000000e-03  1.8888000000e-03  4.2310000000e-04 -6.9874000000e-03  2.1942000000e-03  3.0093000000e-03  8.1491000000e-03 -4.8897000000e-03 -5.3773000000e-03 -5.1075000000e-03 -8.7360000000e-04  3.7335000000e-03  2.2391000000e-03
+
+JOB 5
+COORDS -3.5646600000e-01 -1.0055460000e+00 -8.9238300000e-01 -1.2607740000e+00 -1.3156940000e+00 -8.4477800000e-01 -2.8137200000e-01 -6.1765400000e-01 -1.7642390000e+00  4.4816500000e-01  1.0102200000e+00  9.8311300000e-01  4.1787600000e-01  3.4503200000e-01  2.9548100000e-01 -3.8896300000e-01  1.4686790000e+00  9.1056000000e-01
+ENERGY -1.526596634919e+02
+FORCES -4.2886000000e-03 -2.2540000000e-04 -6.2610000000e-04  4.1585000000e-03  1.8883000000e-03 -1.5750000000e-03 -5.1520000000e-04 -6.0900000000e-04  5.6887000000e-03 -6.0848000000e-03 -7.7790000000e-03 -7.3782000000e-03  4.5300000000e-03  7.4821000000e-03  3.4641000000e-03  2.2002000000e-03 -7.5700000000e-04  4.2650000000e-04
+
+JOB 6
+COORDS  9.1099000000e-01  1.0753880000e+00 -4.6320500000e-01  6.9690100000e-01  1.4879270000e+00  3.7358000000e-01  7.4573300000e-01  1.4341800000e-01 -3.2054200000e-01 -8.4090100000e-01 -1.0096840000e+00  4.4154700000e-01 -9.0599600000e-01 -1.9447780000e+00  2.4765600000e-01 -1.6378350000e+00 -6.3149100000e-01  6.9932000000e-02
+ENERGY -1.526598550438e+02
+FORCES -5.6754000000e-03 -7.7687000000e-03  7.0359000000e-03  6.0000000000e-04  3.9540000000e-04 -3.0505000000e-03  5.2696000000e-03  4.6714000000e-03 -3.8399000000e-03 -4.4269000000e-03  5.7630000000e-04 -2.5295000000e-03  7.8020000000e-04  4.9230000000e-03 -4.0000000000e-07  3.4524000000e-03 -2.7974000000e-03  2.3844000000e-03
+
+JOB 7
+COORDS  9.7818500000e-01  4.0078400000e-01  9.3954200000e-01  1.9290140000e+00  2.9235200000e-01  9.1960900000e-01  6.6234000000e-01 -3.4427600000e-01  1.4507750000e+00 -1.0727300000e+00 -3.5747000000e-01 -9.9050100000e-01 -5.4233200000e-01 -1.1355600000e+00 -8.1878600000e-01 -5.1474000000e-01  3.7551000000e-01 -7.3046400000e-01
+ENERGY -1.526581767220e+02
+FORCES  9.5870000000e-04 -3.3974000000e-03  2.8274000000e-03 -4.8172000000e-03 -4.3990000000e-04 -2.8030000000e-04  2.3792000000e-03  2.6717000000e-03 -3.4638000000e-03  9.6131000000e-03  2.3496000000e-03  5.1670000000e-03 -2.6542000000e-03  3.7910000000e-04  1.1000000000e-05 -5.4796000000e-03 -1.5631000000e-03 -4.2614000000e-03
+
+JOB 8
+COORDS -1.3972380000e+00 -1.7820100000e-01 -3.6620400000e-01 -7.3186900000e-01  3.2198100000e-01  1.0637700000e-01 -2.1569260000e+00 -1.7708100000e-01  2.1612300000e-01  1.3398390000e+00  1.4668300000e-01  3.3336600000e-01  1.7152690000e+00 -3.7236900000e-01 -3.7787800000e-01  2.0486120000e+00  7.2993800000e-01  6.0482100000e-01
+ENERGY -1.526602515991e+02
+FORCES  5.7674000000e-03  1.9959000000e-03  4.7504000000e-03 -9.0508000000e-03 -6.9840000000e-04 -2.2915000000e-03  3.3543000000e-03  5.0860000000e-04 -1.2586000000e-03  2.9658000000e-03 -2.3108000000e-03 -3.6935000000e-03  1.9610000000e-04  3.2896000000e-03  3.9105000000e-03 -3.2327000000e-03 -2.7849000000e-03 -1.4173000000e-03
+
+JOB 9
+COORDS -9.5527300000e-01  7.6511000000e-01 -7.1739700000e-01 -1.8044100000e-01  7.0904300000e-01 -1.2766150000e+00 -1.6926120000e+00  7.6023700000e-01 -1.3277580000e+00  9.7665200000e-01 -7.8832600000e-01  8.3829600000e-01  1.1916150000e+00 -9.3177600000e-01 -8.3357000000e-02  2.6723400000e-01 -1.4591100000e-01  8.2208900000e-01
+ENERGY -1.526565870696e+02
+FORCES -9.5890000000e-04 -7.2030000000e-04 -4.2644000000e-03 -2.5584000000e-03 -1.8218000000e-03  4.1267000000e-03  4.1607000000e-03  6.6200000000e-05  1.8305000000e-03 -7.4424000000e-03  3.1706000000e-03 -5.1988000000e-03  2.1450000000e-04  1.6281000000e-03  1.6201000000e-03  6.5846000000e-03 -2.3227000000e-03  1.8858000000e-03
+
+JOB 10
+COORDS -2.0929700000e-01 -5.9215200000e-01  1.3739700000e+00  3.1684500000e-01 -1.9125600000e-01  6.8209600000e-01 -4.8157700000e-01 -1.4348250000e+00  1.0106570000e+00  1.8853200000e-01  6.3264000000e-01 -1.2406540000e+00  7.0294000000e-02 -2.0625500000e-01 -1.6861940000e+00  3.9357400000e-01  1.2503420000e+00 -1.9425330000e+00
+ENERGY -1.526572924534e+02
+FORCES  1.0388000000e-03  2.7390000000e-03 -8.0051000000e-03 -9.6510000000e-04 -5.9490000000e-03  5.5900000000e-03  1.0364000000e-03  2.7635000000e-03  3.0950000000e-04 -8.0750000000e-04  6.7860000000e-04 -4.1357000000e-03  1.3751000000e-03  3.2708000000e-03  3.7548000000e-03 -1.6777000000e-03 -3.5030000000e-03  2.4865000000e-03
+
+JOB 11
+COORDS  9.3634900000e-01 -9.1770600000e-01  5.8246400000e-01  1.3203220000e+00 -4.8506800000e-01  1.3451050000e+00  1.6879480000e+00 -1.2472540000e+00  8.9788000000e-02 -1.0045210000e+00  9.1743700000e-01 -6.6501300000e-01 -4.2724800000e-01  3.5045700000e-01 -1.5362000000e-01 -1.4621330000e+00  1.4462130000e+00 -1.1393000000e-02
+ENERGY -1.526609639040e+02
+FORCES  5.6188000000e-03 -8.1890000000e-04 -7.7300000000e-04 -2.6318000000e-03 -1.2733000000e-03 -4.2189000000e-03 -2.8374000000e-03  1.3772000000e-03  3.6390000000e-03  4.4669000000e-03 -5.3483000000e-03  5.3025000000e-03 -6.9949000000e-03  8.0792000000e-03 -2.6490000000e-03  2.3784000000e-03 -2.0158000000e-03 -1.3006000000e-03
+
+JOB 12
+COORDS  1.9896100000e-01 -2.5021400000e-01  1.4902200000e+00  4.7185400000e-01  5.7278000000e-02  6.2580700000e-01  8.4013000000e-02 -1.1945060000e+00  1.3837720000e+00 -1.5843000000e-01  2.5842300000e-01 -1.4227850000e+00 -1.0755790000e+00 -1.4958000000e-02 -1.4045240000e+00 -1.8544600000e-01  1.1698890000e+00 -1.7138740000e+00
+ENERGY -1.526601092858e+02
+FORCES  7.4410000000e-04 -1.4554000000e-03 -9.8676000000e-03  1.0184000000e-03 -4.3030000000e-04  8.8095000000e-03 -5.2530000000e-04  2.8602000000e-03  7.6240000000e-04 -5.8580000000e-03  2.2118000000e-03 -9.6420000000e-04  4.5453000000e-03  1.1037000000e-03 -7.4840000000e-04  7.5500000000e-05 -4.2899000000e-03  2.0082000000e-03
+
+JOB 13
+COORDS -7.0527400000e-01  1.0264880000e+00  8.7020000000e-01 -1.7028500000e-01  6.2562500000e-01  1.8512600000e-01 -1.5680450000e+00  1.1328560000e+00  4.6951900000e-01  7.0454500000e-01 -9.4502500000e-01 -8.3268800000e-01  1.5584030000e+00 -1.3641610000e+00 -9.3985400000e-01  1.5928500000e-01 -1.6137200000e+00 -4.1823700000e-01
+ENERGY -1.526609996860e+02
+FORCES  2.8365000000e-03 -2.7225000000e-03 -6.9388000000e-03 -6.4565000000e-03  4.3833000000e-03  5.7968000000e-03  2.8763000000e-03 -1.3417000000e-03  1.3006000000e-03  2.4466000000e-03 -4.6677000000e-03  1.8235000000e-03 -4.3369000000e-03  5.7410000000e-04  5.1750000000e-04  2.6339000000e-03  3.7746000000e-03 -2.4997000000e-03
+
+JOB 14
+COORDS  1.2046500000e+00  2.7613600000e-01  8.6426000000e-01  1.0562170000e+00  2.8608800000e-01  1.8098290000e+00  3.3456100000e-01  3.9524300000e-01  4.8348400000e-01 -1.1313230000e+00 -2.3382300000e-01 -8.8418800000e-01 -1.7088950000e+00 -7.4586400000e-01 -3.1809900000e-01 -9.7633300000e-01 -7.9775700000e-01 -1.6419400000e+00
+ENERGY -1.526595500066e+02
+FORCES -6.9350000000e-03  1.6500000000e-05 -3.0192000000e-03 -7.8770000000e-04 -6.1850000000e-04 -3.6387000000e-03  6.1149000000e-03  1.4918000000e-03  7.8422000000e-03  5.2500000000e-04 -5.9894000000e-03 -2.8058000000e-03  3.5007000000e-03  2.9941000000e-03 -1.6311000000e-03 -2.4179000000e-03  2.1056000000e-03  3.2526000000e-03
+
+JOB 15
+COORDS  1.0831240000e+00 -2.1198000000e-02 -1.0797610000e+00  1.6045420000e+00  6.5783200000e-01 -6.5165600000e-01  1.7644300000e-01  2.0832900000e-01 -8.7610100000e-01 -1.1037070000e+00  4.0170000000e-03  1.0608050000e+00 -1.8508700000e-01 -2.4674000000e-02  1.3282880000e+00 -1.1889820000e+00 -7.0119800000e-01  4.1921900000e-01
+ENERGY -1.526560229827e+02
+FORCES -3.3253000000e-03  6.4056000000e-03  2.7312000000e-03 -1.9058000000e-03 -3.6980000000e-03 -6.3580000000e-04  3.7336000000e-03 -5.2903000000e-03 -7.5210000000e-04  4.7381000000e-03 -6.3788000000e-03  7.6890000000e-04 -4.0994000000e-03  2.6459000000e-03 -1.9568000000e-03  8.5880000000e-04  6.3156000000e-03 -1.5530000000e-04
+
+JOB 16
+COORDS -4.3874700000e-01 -1.2418470000e+00 -5.4316900000e-01 -1.3387510000e+00 -1.5493060000e+00 -4.3503600000e-01 -1.9349300000e-01 -1.5226770000e+00 -1.4247680000e+00  5.3605000000e-01  1.2811680000e+00  6.1172500000e-01  1.4204200000e-01  5.7864200000e-01  9.4573000000e-02 -1.6084100000e-01  1.9307700000e+00  7.0441300000e-01
+ENERGY -1.526609009404e+02
+FORCES -2.1992000000e-03 -3.6496000000e-03 -2.1052000000e-03  4.2809000000e-03  1.5333000000e-03 -1.3275000000e-03 -1.9337000000e-03  1.4253000000e-03  4.3410000000e-03 -5.0014000000e-03 -6.3205000000e-03 -3.4870000000e-03  3.1951000000e-03  9.6726000000e-03  3.0424000000e-03  1.6584000000e-03 -2.6611000000e-03 -4.6370000000e-04
+
+JOB 17
+COORDS  5.3291900000e-01  1.3214820000e+00  3.3514800000e-01  1.0732210000e+00  2.1115700000e+00  3.4333000000e-01  7.1533400000e-01  9.1476200000e-01 -5.1192600000e-01 -5.9596700000e-01 -1.3606150000e+00 -3.4707900000e-01  1.3441300000e-01 -1.7456370000e+00  1.3721000000e-01 -9.2652900000e-01 -6.6939500000e-01  2.2665900000e-01
+ENERGY -1.526597546598e+02
+FORCES  2.2679000000e-03  1.0123000000e-03 -4.1435000000e-03 -1.6511000000e-03 -3.8647000000e-03 -9.4820000000e-04  2.0670000000e-04  3.8551000000e-03  5.0498000000e-03  9.7900000000e-04  2.3959000000e-03  7.2751000000e-03 -2.3115000000e-03  1.1231000000e-03 -3.0222000000e-03  5.0900000000e-04 -4.5217000000e-03 -4.2110000000e-03
+
+JOB 18
+COORDS  1.1309860000e+00  9.7272000000e-01  1.0073200000e-01  1.3319800000e+00  1.7726850000e+00  5.8641600000e-01  3.1054200000e-01  6.6017800000e-01  4.8207400000e-01 -1.0634250000e+00 -9.5189600000e-01 -2.0415700000e-01 -6.2856300000e-01 -1.5885060000e+00  3.6316500000e-01 -1.9884030000e+00 -1.0095260000e+00  3.5273000000e-02
+ENERGY -1.526576456684e+02
+FORCES -5.9608000000e-03 -8.8290000000e-04  7.5720000000e-04 -1.8806000000e-03 -3.3096000000e-03 -1.6596000000e-03  7.5752000000e-03  3.8338000000e-03  2.9689000000e-03 -2.1399000000e-03 -5.4406000000e-03  2.0030000000e-04 -2.3792000000e-03  5.0136000000e-03 -1.5976000000e-03  4.7855000000e-03  7.8580000000e-04 -6.6920000000e-04
+
+JOB 19
+COORDS -2.9968300000e-01  1.7463500000e-01  1.4786370000e+00  2.4767700000e-01 -3.6749500000e-01  2.0467250000e+00  2.6486300000e-01  3.9060500000e-01  7.3642500000e-01  2.0346500000e-01 -9.6325000000e-02 -1.4477320000e+00  3.4317200000e-01 -8.9284900000e-01 -9.3561500000e-01  6.3678900000e-01 -2.6928700000e-01 -2.2835230000e+00
+ENERGY -1.526568281637e+02
+FORCES  3.6947000000e-03  2.2936000000e-03 -2.5211000000e-03 -2.0598000000e-03  1.2022000000e-03 -3.7605000000e-03 -1.6363000000e-03 -4.9303000000e-03  6.1076000000e-03  8.6100000000e-05 -4.5227000000e-03 -2.9411000000e-03  2.2107000000e-03  6.0579000000e-03 -8.9580000000e-04 -2.2954000000e-03 -1.0070000000e-04  4.0109000000e-03
+
+JOB 20
+COORDS -6.5673400000e-01  1.0266620000e+00 -8.3260300000e-01 -1.0861010000e+00  1.3319390000e+00 -3.3427000000e-02 -2.6368100000e-01  1.8138360000e+00 -1.2095630000e+00  6.8248300000e-01 -1.1408500000e+00  8.1574300000e-01  2.2498200000e-01 -8.1010700000e-01  4.2739000000e-02  6.3583700000e-01 -4.2329300000e-01  1.4475410000e+00
+ENERGY -1.526586069046e+02
+FORCES  2.4660000000e-04  5.5199000000e-03  5.1700000000e-04  3.4244000000e-03 -2.3015000000e-03 -2.9310000000e-03 -2.4128000000e-03 -3.0614000000e-03  2.3771000000e-03 -2.9539000000e-03  7.8552000000e-03 -4.5164000000e-03  1.9863000000e-03 -5.7789000000e-03  5.3001000000e-03 -2.9070000000e-04 -2.2333000000e-03 -7.4670000000e-04
+
+JOB 21
+COORDS -6.8502600000e-01  1.2816470000e+00  3.2029400000e-01 -1.3718730000e+00  1.0090930000e+00  9.2872500000e-01 -4.7656000000e-02  1.7402720000e+00  8.6770200000e-01  7.5415500000e-01 -1.2948860000e+00 -4.0355700000e-01  3.6257300000e-01 -4.9058000000e-01 -6.2988000000e-02  1.0159300000e-01 -1.9727030000e+00 -2.2760500000e-01
+ENERGY -1.526599263154e+02
+FORCES -2.2644000000e-03  4.5802000000e-03  4.3982000000e-03  4.4200000000e-03 -1.6600000000e-05 -3.1835000000e-03 -3.0258000000e-03 -4.0357000000e-03 -2.8660000000e-03 -6.7442000000e-03  5.9115000000e-03  1.4808000000e-03  5.7820000000e-03 -8.8429000000e-03  2.6380000000e-04  1.8324000000e-03  2.4035000000e-03 -9.3400000000e-05
+
+JOB 22
+COORDS -8.5183600000e-01 -6.5403500000e-01  1.1404910000e+00 -7.7338100000e-01 -1.3461500000e-01  3.4031600000e-01 -1.5873100000e-01 -1.3103840000e+00  1.0694730000e+00  7.4700700000e-01  6.7209600000e-01 -1.0897750000e+00  1.4512110000e+00  1.3160700000e+00 -1.0147710000e+00  1.1977140000e+00 -1.6249600000e-01 -1.2184280000e+00
+ENERGY -1.526579838869e+02
+FORCES  5.6060000000e-03  3.1818000000e-03 -6.3049000000e-03 -3.9682000000e-03 -5.1945000000e-03  4.8098000000e-03 -1.9195000000e-03  1.3577000000e-03  6.8900000000e-05  5.8483000000e-03  1.0180000000e-03  4.1850000000e-04 -2.4968000000e-03 -3.5183000000e-03 -1.0654000000e-03 -3.0697000000e-03  3.1553000000e-03  2.0732000000e-03
+
+JOB 23
+COORDS  4.2801700000e-01  1.2046370000e+00  8.2046900000e-01 -1.5490600000e-01  1.9230770000e+00  1.0659830000e+00 -6.1168000000e-02  4.1227100000e-01  1.0420230000e+00 -3.9395200000e-01 -1.2566500000e+00 -8.1107000000e-01 -7.2026300000e-01 -3.5797300000e-01 -7.6488600000e-01  3.2689800000e-01 -1.2182200000e+00 -1.4396630000e+00
+ENERGY -1.526569534250e+02
+FORCES -1.7875000000e-03 -2.0821000000e-03  4.3167000000e-03  1.7676000000e-03 -4.0193000000e-03 -2.2452000000e-03 -2.4440000000e-04  6.2110000000e-03 -3.2849000000e-03  4.4238000000e-03  6.0052000000e-03 -3.9999000000e-03 -7.0540000000e-04 -4.8316000000e-03  3.4261000000e-03 -3.4541000000e-03 -1.2831000000e-03  1.7872000000e-03
+
+JOB 24
+COORDS  1.0491820000e+00  6.7299300000e-01  9.5837300000e-01  1.7618600000e-01  7.3600000000e-01  5.7089400000e-01  1.0818630000e+00 -2.0657800000e-01  1.3345640000e+00 -1.0056830000e+00 -5.5844300000e-01 -9.4800500000e-01 -2.9060100000e-01 -1.1817910000e+00 -8.2022200000e-01 -1.7212900000e+00 -1.0841250000e+00 -1.3054900000e+00
+ENERGY -1.526581157192e+02
+FORCES -6.4702000000e-03 -2.3565000000e-03 -9.9850000000e-04  6.5137000000e-03  5.0020000000e-04  3.6916000000e-03  4.8760000000e-04  2.1900000000e-03 -2.5994000000e-03 -3.1080000000e-04 -4.6647000000e-03 -2.8640000000e-03 -4.1154000000e-03  2.7484000000e-03  1.2935000000e-03  3.8952000000e-03  1.5827000000e-03  1.4768000000e-03
+
+JOB 25
+COORDS -1.2728430000e+00 -2.0370700000e-01  8.3914200000e-01 -1.5356480000e+00 -1.0943330000e+00  1.0714170000e+00 -3.4921600000e-01 -2.8070900000e-01  5.9994100000e-01  1.2062020000e+00  2.5051200000e-01 -7.9225600000e-01  9.0318000000e-01  5.3121500000e-01 -1.6557460000e+00  2.1554800000e+00  1.7035600000e-01 -8.8540800000e-01
+ENERGY -1.526607183449e+02
+FORCES  6.2114000000e-03 -2.1029000000e-03 -2.2286000000e-03  1.3673000000e-03  2.8869000000e-03 -1.0302000000e-03 -7.9873000000e-03 -1.7114000000e-03  4.9183000000e-03  1.6625000000e-03  1.9519000000e-03 -4.6957000000e-03  3.0090000000e-03 -1.4229000000e-03  3.3705000000e-03 -4.2629000000e-03  3.9860000000e-04 -3.3420000000e-04
+
+JOB 26
+COORDS -4.8080400000e-01  1.3083670000e+00 -5.0174500000e-01 -7.7650000000e-01  1.1534180000e+00 -1.3988440000e+00 -5.8797500000e-01  2.2508130000e+00 -3.7313600000e-01  4.4257000000e-01 -1.3568720000e+00  5.7041500000e-01  9.0796000000e-01 -1.9378050000e+00 -3.1383000000e-02  9.3408800000e-01 -5.3607300000e-01  5.3989600000e-01
+ENERGY -1.526555320996e+02
+FORCES -3.7300000000e-03  1.3748000000e-03 -3.8374000000e-03  1.6996000000e-03  1.6502000000e-03  3.4803000000e-03  7.8650000000e-04 -4.5523000000e-03 -2.3050000000e-04  2.2350000000e-03  5.2903000000e-03 -2.9322000000e-03 -2.2473000000e-03  2.4341000000e-03  1.6194000000e-03  1.2561000000e-03 -6.1970000000e-03  1.9004000000e-03
+
+JOB 27
+COORDS  2.0988700000e-01  1.3841670000e+00  7.6535900000e-01 -1.1029800000e-01  1.8271150000e+00 -2.0459000000e-02 -2.5292000000e-02  4.6542100000e-01  6.3563500000e-01 -1.3545600000e-01 -1.3549870000e+00 -7.6204800000e-01 -1.0496970000e+00 -1.0906830000e+00 -8.6471200000e-01 -8.3251000000e-02 -1.6968500000e+00  1.3049600000e-01
+ENERGY -1.526549326034e+02
+FORCES -3.8050000000e-04 -4.6833000000e-03 -7.8772000000e-03  2.7340000000e-04 -6.8150000000e-04  3.4636000000e-03 -1.8543000000e-03  2.7841000000e-03  5.4464000000e-03 -3.2618000000e-03 -3.9902000000e-03  8.7860000000e-04  5.5923000000e-03  9.9430000000e-04  1.8042000000e-03 -3.6910000000e-04  5.5766000000e-03 -3.7154000000e-03
+
+JOB 28
+COORDS  2.5233400000e-01 -1.4989620000e+00  3.5680800000e-01  6.6073100000e-01 -1.8464050000e+00 -4.3611500000e-01  8.4468900000e-01 -8.0566600000e-01  6.4782000000e-01 -2.5067900000e-01  1.5039700000e+00 -3.5826300000e-01 -8.5536500000e-01  2.0041170000e+00  1.8986100000e-01 -6.1681300000e-01  6.1971000000e-01 -3.7441300000e-01
+ENERGY -1.526600517583e+02
+FORCES  6.8607000000e-03  2.2570000000e-04 -5.8180000000e-04 -2.4000000000e-03  2.0986000000e-03  3.2467000000e-03 -4.2509000000e-03 -4.0912000000e-03 -1.7353000000e-03 -5.1907000000e-03 -3.3180000000e-03  1.5425000000e-03  2.4379000000e-03 -2.2819000000e-03 -1.8420000000e-03  2.5429000000e-03  7.3668000000e-03 -6.3000000000e-04
+
+JOB 29
+COORDS  2.5216900000e-01 -4.8031400000e-01  1.5157810000e+00  1.3821400000e-01 -7.7692100000e-01  6.1285800000e-01  2.3248000000e-01  4.7499000000e-01  1.4588650000e+00 -2.7532000000e-01  4.7021300000e-01 -1.4058740000e+00  5.1890000000e-01  7.4789900000e-01 -1.8623140000e+00 -6.0045600000e-01 -2.6983100000e-01 -1.9185660000e+00
+ENERGY -1.526583855031e+02
+FORCES -2.1289000000e-03  5.4635000000e-03 -8.4821000000e-03  1.0635000000e-03 -3.9130000000e-03  4.9561000000e-03  1.2043000000e-03 -2.6371000000e-03  2.9568000000e-03  1.2279000000e-03 -7.2200000000e-05 -5.6919000000e-03 -3.7961000000e-03 -1.5156000000e-03  2.5221000000e-03  2.4293000000e-03  2.6745000000e-03  3.7390000000e-03
+
+JOB 30
+COORDS  1.4013230000e+00 -3.4917200000e-01 -6.4156800000e-01  2.3250140000e+00 -2.9688700000e-01 -3.9602100000e-01  9.3809600000e-01  8.9445000000e-02  7.2063000000e-02 -1.4114400000e+00  2.8778900000e-01  5.2064900000e-01 -2.0938440000e+00  2.8467000000e-02  1.1397690000e+00 -1.0390630000e+00  1.0863900000e+00  8.9455100000e-01
+ENERGY -1.526543104377e+02
+FORCES -1.3862000000e-03  8.7690000000e-04  4.0438000000e-03 -4.2256000000e-03 -6.2800000000e-05 -5.6100000000e-04  5.5995000000e-03  1.5941000000e-03 -2.2013000000e-03 -4.4933000000e-03  1.3970000000e-03  3.7509000000e-03  2.8397000000e-03  1.6353000000e-03 -2.9592000000e-03  1.6658000000e-03 -5.4404000000e-03 -2.0731000000e-03
+
+JOB 31
+COORDS  7.3134600000e-01  1.0131170000e+00 -1.0740140000e+00  7.3662800000e-01  7.7971000000e-02 -8.6979500000e-01 -7.8070000000e-02  1.3399610000e+00 -6.8126600000e-01 -7.3779900000e-01 -1.0136430000e+00  1.0370340000e+00 -4.7940200000e-01 -4.2103300000e-01  1.7429210000e+00 -1.6435000000e-02 -9.6831600000e-01  4.0949000000e-01
+ENERGY -1.526502774269e+02
+FORCES -5.7920000000e-03 -2.0627000000e-03  1.5411000000e-03 -7.5210000000e-04 -1.5610000000e-04  4.3546000000e-03  4.9366000000e-03 -6.8560000000e-04 -1.4139000000e-03  5.0296000000e-03  2.4082000000e-03  2.2429000000e-03 -2.0240000000e-03 -2.4855000000e-03 -3.7302000000e-03 -1.3982000000e-03  2.9818000000e-03 -2.9944000000e-03
+
+JOB 32
+COORDS -6.8688000000e-01 -1.2133530000e+00 -8.4889900000e-01 -2.5766700000e-01 -4.6944100000e-01 -4.2628300000e-01 -6.5285800000e-01 -1.9126150000e+00 -1.9613000000e-01  7.1256100000e-01  1.2002460000e+00  7.4993400000e-01  2.8581000000e-02  1.8628290000e+00  6.5304800000e-01  4.9482300000e-01  7.4795600000e-01  1.5649530000e+00
+ENERGY -1.526591381744e+02
+FORCES  4.7169000000e-03  2.9342000000e-03  4.4182000000e-03 -6.1810000000e-03 -7.0386000000e-03 -2.7167000000e-03 -2.4400000000e-04  2.8737000000e-03 -1.6649000000e-03 -1.6032000000e-03  5.1000000000e-03  5.3515000000e-03  3.1459000000e-03 -4.4259000000e-03  2.3270000000e-04  1.6540000000e-04  5.5660000000e-04 -5.6208000000e-03
+
+JOB 33
+COORDS -2.6265100000e-01 -3.5060300000e-01  1.5356850000e+00 -2.5654100000e-01 -1.3077190000e+00  1.5468350000e+00  6.5633900000e-01 -1.0599600000e-01  1.4268010000e+00  1.8635700000e-01  4.2056700000e-01 -1.5729170000e+00  1.1313080000e+00  3.3761700000e-01 -1.4447760000e+00 -1.9740700000e-01 -1.3940000000e-01 -8.9808800000e-01
+ENERGY -1.526559436888e+02
+FORCES  4.0779000000e-03 -1.5890000000e-03  3.9429000000e-03  4.5200000000e-05  5.0661000000e-03 -2.1765000000e-03 -4.4048000000e-03 -2.1015000000e-03 -1.4380000000e-03  1.1240000000e-04 -2.4047000000e-03  5.7374000000e-03 -3.3384000000e-03  2.4230000000e-04  5.2530000000e-04  3.5077000000e-03  7.8690000000e-04 -6.5911000000e-03
+
+JOB 34
+COORDS -6.0566300000e-01 -1.0694750000e+00 -1.1657140000e+00 -1.4877700000e-01 -1.6349550000e+00 -5.4304200000e-01 -3.8979100000e-01 -1.8008500000e-01 -8.8532900000e-01  5.1155000000e-01  1.0642370000e+00  1.0952230000e+00  7.2989800000e-01  9.0556800000e-01  2.0135800000e+00  1.3406340000e+00  9.5595500000e-01  6.2925500000e-01
+ENERGY -1.526571608534e+02
+FORCES  1.6752000000e-03  3.1822000000e-03  6.8990000000e-03 -9.6830000000e-04  8.4570000000e-04 -3.0795000000e-03  5.4660000000e-04 -4.1095000000e-03 -5.1931000000e-03  4.3245000000e-03  3.1210000000e-04  4.6581000000e-03 -3.1830000000e-04  6.9070000000e-04 -4.2403000000e-03 -5.2597000000e-03 -9.2120000000e-04  9.5580000000e-04
+
+JOB 35
+COORDS -6.7694800000e-01 -8.8507400000e-01 -1.1768630000e+00 -2.9770300000e-01 -1.6713820000e+00 -7.8427600000e-01 -7.5711800000e-01 -1.0960330000e+00 -2.1070790000e+00  6.1183200000e-01  9.3066700000e-01  1.2313500000e+00  8.0506800000e-01  1.1309930000e+00  3.1551000000e-01  1.4707100000e+00  8.6057900000e-01  1.6480610000e+00
+ENERGY -1.526553885086e+02
+FORCES  1.3860000000e-04 -5.5040000000e-03 -6.2710000000e-04 -1.3960000000e-03  2.8687000000e-03 -2.9696000000e-03  7.4900000000e-04  1.4085000000e-03  4.1506000000e-03  2.6711000000e-03  6.4800000000e-04 -4.0997000000e-03  1.3402000000e-03  1.0149000000e-03  5.3783000000e-03 -3.5030000000e-03 -4.3630000000e-04 -1.8325000000e-03
+
+JOB 36
+COORDS -1.5457910000e+00  6.6452200000e-01 -1.1586800000e-01 -1.8920860000e+00  1.0160200000e+00 -9.3608800000e-01 -7.7556000000e-01  1.5988600000e-01 -3.7724800000e-01  1.4922320000e+00 -6.0002600000e-01  1.6310900000e-01  2.3677480000e+00 -7.4096400000e-01  5.2344300000e-01  1.1780590000e+00 -1.4776670000e+00 -5.4315000000e-02
+ENERGY -1.526566793291e+02
+FORCES  4.4428000000e-03  3.8300000000e-05 -3.3102000000e-03  1.3467000000e-03 -1.4760000000e-03  3.0806000000e-03 -7.1267000000e-03  1.9000000000e-06 -8.0420000000e-04  5.0359000000e-03 -3.5449000000e-03  2.7502000000e-03 -3.5393000000e-03 -2.4680000000e-04 -1.7686000000e-03 -1.5940000000e-04  5.2276000000e-03  5.2200000000e-05
+
+JOB 37
+COORDS -1.3317700000e-01 -1.6189270000e+00 -3.8662000000e-02  7.5712400000e-01 -1.9541250000e+00 -1.4466700000e-01 -6.7739600000e-01 -2.2171550000e+00 -5.5069900000e-01  1.4759200000e-01  1.6966880000e+00  8.0546000000e-02 -6.2130500000e-01  1.4487150000e+00  5.9390700000e-01  6.6674000000e-02  1.1948530000e+00 -7.3053100000e-01
+ENERGY -1.526566694293e+02
+FORCES  2.8323000000e-03 -5.0025000000e-03 -1.0767000000e-03 -4.2806000000e-03  1.0371000000e-03 -1.8800000000e-04  2.2617000000e-03  3.3764000000e-03  1.9697000000e-03 -3.9065000000e-03 -7.1819000000e-03 -5.8230000000e-04  2.1866000000e-03  3.2503000000e-03 -1.4730000000e-03  9.0650000000e-04  4.5206000000e-03  1.3503000000e-03
+
+JOB 38
+COORDS -8.2096900000e-01  1.3962070000e+00  2.7107100000e-01 -1.5994660000e+00  1.9345990000e+00  1.2856100000e-01 -7.2728200000e-01  1.3569420000e+00  1.2228660000e+00  8.1464000000e-01 -1.4764860000e+00 -3.3763700000e-01  6.7265800000e-01 -5.3004200000e-01 -3.5544700000e-01  1.7110350000e+00 -1.5787090000e+00 -1.7860000000e-02
+ENERGY -1.526583462131e+02
+FORCES -5.1804000000e-03  2.6902000000e-03  2.9974000000e-03  3.2041000000e-03 -1.8265000000e-03  1.4987000000e-03  2.5960000000e-04  4.0560000000e-04 -4.4156000000e-03  1.2154000000e-03  5.0428000000e-03  1.8110000000e-04  4.0162000000e-03 -6.9510000000e-03  4.8480000000e-04 -3.5149000000e-03  6.3890000000e-04 -7.4640000000e-04
+
+JOB 39
+COORDS -3.7757100000e-01  1.2632870000e+00  1.0432950000e+00 -2.5664300000e-01  1.2522090000e+00  9.3829000000e-02 -5.3042800000e-01  2.1841770000e+00  1.2550240000e+00  4.0148200000e-01 -1.3593870000e+00 -9.6372000000e-01  7.9479600000e-01 -4.8674400000e-01 -9.6917900000e-01 -2.9229500000e-01 -1.3140480000e+00 -1.6216330000e+00
+ENERGY -1.526515038295e+02
+FORCES -9.8720000000e-04  3.6130000000e-03 -2.4665000000e-03  1.5239000000e-03 -4.2590000000e-04  2.5498000000e-03  5.6500000000e-04 -4.4299000000e-03 -9.3610000000e-04 -7.5020000000e-04  2.4442000000e-03 -1.6944000000e-03 -3.4737000000e-03 -1.7690000000e-03 -4.5820000000e-04  3.1221000000e-03  5.6760000000e-04  3.0054000000e-03
+
+JOB 40
+COORDS -9.9453500000e-01 -1.2985750000e+00 -1.1395000000e-02 -1.5682000000e+00 -1.3089160000e+00  7.5478600000e-01 -1.3875480000e+00 -1.9299570000e+00 -6.1399700000e-01  1.0723080000e+00  1.3962380000e+00  2.0600000000e-04  1.2247580000e+00  6.2933400000e-01 -5.5192500000e-01  4.8735700000e-01  1.0828560000e+00  6.9003000000e-01
+ENERGY -1.526571355524e+02
+FORCES -5.0225000000e-03 -3.4019000000e-03 -6.4200000000e-05  2.8645000000e-03  5.5180000000e-04 -3.1328000000e-03  1.6391000000e-03  2.5394000000e-03  2.7844000000e-03 -3.9436000000e-03 -7.1695000000e-03 -1.2070000000e-04  1.8562000000e-03  4.2620000000e-03  1.0064000000e-03  2.6064000000e-03  3.2181000000e-03 -4.7310000000e-04
+
+JOB 41
+COORDS -9.9071000000e-01  1.3399820000e+00  6.2389800000e-01 -3.1527500000e-01  1.3280180000e+00 -5.4244000000e-02 -8.9984700000e-01  4.9693000000e-01  1.0680140000e+00  9.3628700000e-01 -1.2831670000e+00 -5.5324700000e-01  7.6094200000e-01 -7.2166300000e-01 -1.3083620000e+00  1.3544840000e+00 -2.0602690000e+00 -9.2399600000e-01
+ENERGY -1.526559757833e+02
+FORCES  4.3612000000e-03 -5.2206000000e-03  5.2100000000e-05 -2.9345000000e-03  6.6960000000e-04  5.4350000000e-04 -1.9824000000e-03  4.7952000000e-03 -9.4010000000e-04  1.8798000000e-03 -2.8625000000e-03 -5.4291000000e-03  5.4100000000e-04 -8.2330000000e-04  4.4169000000e-03 -1.8651000000e-03  3.4415000000e-03  1.3566000000e-03
+
+JOB 42
+COORDS  6.9397300000e-01 -6.9487800000e-01  1.4320760000e+00  1.0839200000e-01 -1.0859770000e+00  7.8371800000e-01  5.0956200000e-01 -1.1723320000e+00  2.2409410000e+00 -6.5565700000e-01  6.8624000000e-01 -1.4873410000e+00 -1.9773600000e-01  7.7029000000e-01 -6.5099500000e-01 -1.0366870000e+00  1.5509120000e+00 -1.6402800000e+00
+ENERGY -1.526574862281e+02
+FORCES -2.7484000000e-03 -5.5372000000e-03  2.1575000000e-03  3.0288000000e-03  4.1680000000e-03  3.0741000000e-03  8.6940000000e-04  1.6231000000e-03 -3.4406000000e-03  9.9930000000e-04  5.4108000000e-03  2.7670000000e-03 -3.6627000000e-03 -2.3224000000e-03 -4.9903000000e-03  1.5135000000e-03 -3.3422000000e-03  4.3220000000e-04
+
+JOB 43
+COORDS -6.3019500000e-01 -1.0361440000e+00  1.3408910000e+00 -2.2543000000e-02 -4.9679800000e-01  8.3483000000e-01 -1.1908400000e+00 -1.4475710000e+00  6.8314000000e-01  6.4578600000e-01  1.0933590000e+00 -1.2955850000e+00 -2.0198800000e-01  6.6753000000e-01 -1.1683820000e+00  1.2831390000e+00  4.6567100000e-01 -9.5496600000e-01
+ENERGY -1.526523298836e+02
+FORCES -7.1200000000e-05  4.4310000000e-04 -3.3929000000e-03 -2.4629000000e-03 -3.2333000000e-03  7.0400000000e-05  2.9040000000e-03  2.7349000000e-03  2.2516000000e-03 -3.7570000000e-04 -3.1183000000e-03 -5.4390000000e-04  4.7607000000e-03  6.3940000000e-04  1.2646000000e-03 -4.7549000000e-03  2.5343000000e-03  3.5020000000e-04
+
+JOB 44
+COORDS  8.3060700000e-01 -1.3222360000e+00 -6.4228500000e-01  8.7039500000e-01 -1.5874890000e+00 -1.5611370000e+00  1.0173490000e+00 -2.1234070000e+00 -1.5291400000e-01 -9.0015100000e-01  1.4022150000e+00  6.4794500000e-01 -5.6893100000e-01  1.3339060000e+00  1.5434100000e+00 -1.7237900000e-01  1.1087040000e+00  9.9829000000e-02
+ENERGY -1.526572976736e+02
+FORCES  2.6600000000e-04 -5.8431000000e-03 -1.6823000000e-03  4.4200000000e-05  1.1307000000e-03  3.9895000000e-03 -4.2660000000e-04  3.1838000000e-03 -2.3316000000e-03  5.3499000000e-03 -4.1118000000e-03  3.1710000000e-04 -1.5347000000e-03  6.5490000000e-04 -2.7385000000e-03 -3.6989000000e-03  4.9856000000e-03  2.4457000000e-03
+
+JOB 45
+COORDS  7.4733700000e-01 -5.3283600000e-01  1.5656190000e+00  6.2113000000e-02 -9.2962800000e-01  1.0277940000e+00  1.4684940000e+00 -3.7381900000e-01  9.5662000000e-01 -7.4282100000e-01  4.9707000000e-01 -1.4547210000e+00 -1.5378370000e+00  8.9973700000e-01 -1.8040630000e+00 -2.8258000000e-02  9.4228200000e-01 -1.9101500000e+00
+ENERGY -1.526562963532e+02
+FORCES -1.6605000000e-03  8.5900000000e-05 -6.8513000000e-03  3.3688000000e-03 -3.2300000000e-04  4.4010000000e-03 -1.4577000000e-03 -5.4730000000e-04  2.7424000000e-03 -1.0503000000e-03  4.7040000000e-03 -3.4509000000e-03  3.4726000000e-03 -1.6728000000e-03  1.2038000000e-03 -2.6728000000e-03 -2.2469000000e-03  1.9549000000e-03
+
+JOB 46
+COORDS  1.5333470000e+00  4.4272800000e-01 -8.0433300000e-01  1.6433780000e+00 -4.8663500000e-01 -1.0053550000e+00  9.1157800000e-01  7.5815200000e-01 -1.4601850000e+00 -1.5368080000e+00 -4.3342600000e-01  9.0250700000e-01 -1.7955550000e+00  1.7783700000e-01  2.1284200000e-01 -5.8578800000e-01 -5.0182600000e-01  8.1816400000e-01
+ENERGY -1.526561577256e+02
+FORCES  6.5450000000e-04 -1.5315000000e-03 -5.8691000000e-03 -1.6270000000e-03  4.2943000000e-03  2.0335000000e-03  1.7719000000e-03 -1.7243000000e-03  3.8625000000e-03  4.4822000000e-03  3.6844000000e-03 -2.5544000000e-03  4.1710000000e-04 -2.6237000000e-03  1.9146000000e-03 -5.6988000000e-03 -2.0991000000e-03  6.1290000000e-04
+
+JOB 47
+COORDS -2.9805200000e-01  1.4607820000e+00  1.0943740000e+00 -1.1180010000e+00  1.0231710000e+00  8.6544000000e-01  2.7946200000e-01  1.2932360000e+00  3.4963400000e-01  2.5854100000e-01 -1.3937870000e+00 -1.0312410000e+00  1.1140750000e+00 -1.0936280000e+00 -7.2432300000e-01  4.2651200000e-01 -2.2611180000e+00 -1.3996890000e+00
+ENERGY -1.526557903672e+02
+FORCES -2.2394000000e-03 -3.7029000000e-03 -5.0648000000e-03  2.7459000000e-03  3.0705000000e-03  2.0057000000e-03 -2.8170000000e-04  8.9290000000e-04  3.5285000000e-03  4.4409000000e-03 -4.2175000000e-03 -4.7880000000e-04 -4.1131000000e-03  3.1070000000e-04 -1.6491000000e-03 -5.5250000000e-04  3.6463000000e-03  1.6586000000e-03
+
+JOB 48
+COORDS  5.8445000000e-01 -1.0487480000e+00 -1.3404850000e+00  8.6067000000e-01 -1.6088680000e+00 -6.1508800000e-01 -3.1947000000e-01 -1.3107080000e+00 -1.5152350000e+00 -4.9918200000e-01  1.1349500000e+00  1.3247090000e+00 -7.1343000000e-01  4.2012900000e-01  1.9241750000e+00 -1.1333840000e+00  1.0494350000e+00  6.1287500000e-01
+ENERGY -1.526528630255e+02
+FORCES -1.2775000000e-03 -3.0195000000e-03  2.9659000000e-03 -1.5500000000e-03  1.5780000000e-03 -3.3049000000e-03  3.1761000000e-03  1.8322000000e-03  1.2768000000e-03 -2.6564000000e-03 -3.2329000000e-03 -2.1648000000e-03  1.0422000000e-03  2.4300000000e-03 -2.5162000000e-03  1.2657000000e-03  4.1220000000e-04  3.7432000000e-03
+
+JOB 49
+COORDS  4.3874400000e-01  1.6920220000e+00 -6.9440100000e-01  5.9551500000e-01  1.1755640000e+00  9.6121000000e-02 -5.1229100000e-01  1.7947140000e+00 -7.2929600000e-01 -4.2627900000e-01 -1.6802480000e+00  7.0664900000e-01  3.1451600000e-01 -2.1766040000e+00  3.5867600000e-01 -5.8663900000e-01 -9.9899000000e-01  5.3653000000e-02
+ENERGY -1.526554201558e+02
+FORCES -2.4540000000e-03  1.0398000000e-03  4.2843000000e-03 -1.4587000000e-03  1.2943000000e-03 -5.3768000000e-03  4.2311000000e-03 -1.9288000000e-03 -1.6740000000e-04  2.1749000000e-03 -1.1811000000e-03 -5.3048000000e-03 -3.1610000000e-03  2.2454000000e-03  1.9365000000e-03  6.6760000000e-04 -1.4695000000e-03  4.6281000000e-03
+
+JOB 50
+COORDS  8.3549000000e-01 -3.6499800000e-01 -1.6081550000e+00  1.4465380000e+00 -9.3604000000e-01 -1.1425780000e+00  1.2205240000e+00  5.0834800000e-01 -1.5357130000e+00 -8.6953900000e-01  3.8911300000e-01  1.6282380000e+00 -1.5413430000e+00 -2.9039700000e-01  1.6846050000e+00 -5.5047600000e-01  3.3699300000e-01  7.2728600000e-01
+ENERGY -1.526576612468e+02
+FORCES  6.5208000000e-03  3.3680000000e-04 -7.2650000000e-04 -3.3604000000e-03  2.8598000000e-03 -1.7592000000e-03 -2.7219000000e-03 -4.0681000000e-03  7.2910000000e-04 -1.7990000000e-03 -3.4231000000e-03 -4.9067000000e-03  2.5495000000e-03  2.5473000000e-03  3.0480000000e-04 -1.1889000000e-03  1.7472000000e-03  6.3586000000e-03
+
+JOB 51
+COORDS  5.7849400000e-01  5.9355000000e-01 -1.6269260000e+00  1.9674300000e-01  1.2192460000e+00 -2.2425580000e+00  2.2506200000e-01 -2.5425000000e-01 -1.8962850000e+00 -5.9212200000e-01 -5.5150600000e-01  1.6820700000e+00  1.7752400000e-01 -3.0068800000e-01  2.1929190000e+00 -2.9713300000e-01 -1.2913880000e+00  1.1512330000e+00
+ENERGY -1.526534420224e+02
+FORCES -4.2403000000e-03 -1.5290000000e-04 -3.1274000000e-03  1.8354000000e-03 -2.5781000000e-03  2.2689000000e-03  1.9863000000e-03  2.7190000000e-03  1.3942000000e-03  5.5696000000e-03 -4.9400000000e-04 -1.3424000000e-03 -3.3652000000e-03 -1.4683000000e-03 -1.1691000000e-03 -1.7857000000e-03  1.9742000000e-03  1.9759000000e-03
+
+JOB 52
+COORDS -7.1322400000e-01 -1.5762700000e+00  6.3057300000e-01 -1.0685520000e+00 -2.4148150000e+00  9.2522000000e-01 -1.3839430000e+00 -9.3530700000e-01  8.6623100000e-01  8.1138100000e-01  1.5827700000e+00 -7.0424200000e-01  4.7541900000e-01  2.3217210000e+00 -1.9698200000e-01  3.6119800000e-01  8.1920800000e-01 -3.4293800000e-01
+ENERGY -1.526555632386e+02
+FORCES -4.6459000000e-03 -3.7474000000e-03  2.6272000000e-03  1.0708000000e-03  3.7171000000e-03 -9.8700000000e-04  4.1976000000e-03 -1.3203000000e-03 -1.6923000000e-03 -2.3048000000e-03 -1.6880000000e-03  3.4494000000e-03  9.0740000000e-04 -3.0760000000e-03 -1.9111000000e-03  7.7500000000e-04  6.1147000000e-03 -1.4861000000e-03
+
+JOB 53
+COORDS -9.4282000000e-01 -7.4082600000e-01 -1.5664710000e+00 -1.0780100000e+00 -7.3809300000e-01 -6.1887000000e-01 -1.1468700000e-01 -1.2048460000e+00 -1.6894060000e+00  9.5719400000e-01  7.8282900000e-01  1.5429470000e+00  9.6605000000e-02  5.9283600000e-01  1.9164730000e+00  8.2231000000e-01  7.4156400000e-01  5.9619700000e-01
+ENERGY -1.526541440327e+02
+FORCES  1.8287000000e-03 -4.0288000000e-03  2.2280000000e-03  1.4386000000e-03  1.6498000000e-03 -3.6388000000e-03 -3.5679000000e-03  2.9364000000e-03  8.3740000000e-04 -3.7123000000e-03  9.0980000000e-04 -2.1570000000e-03  3.4995000000e-03 -1.1830000000e-04 -2.2747000000e-03  5.1340000000e-04 -1.3488000000e-03  5.0050000000e-03
+
+JOB 54
+COORDS -2.9552700000e-01 -1.8186930000e+00 -6.1650600000e-01 -9.1430400000e-01 -1.1830010000e+00 -2.5700400000e-01 -3.8109200000e-01 -1.7267030000e+00 -1.5654260000e+00  2.9413600000e-01  1.8041320000e+00  6.0786300000e-01  1.3374500000e-01  1.6643400000e+00  1.5411180000e+00  1.1839890000e+00  1.4811100000e+00  4.6626400000e-01
+ENERGY -1.526562840600e+02
+FORCES -3.2678000000e-03  4.1687000000e-03 -2.5274000000e-03  2.0710000000e-03 -4.2536000000e-03 -1.1795000000e-03  5.1370000000e-04 -7.4960000000e-04  3.6182000000e-03  4.3078000000e-03 -1.6610000000e-03  3.3760000000e-03  1.4860000000e-04  3.5310000000e-04 -4.0175000000e-03 -3.7734000000e-03  2.1425000000e-03  7.3020000000e-04
+
+JOB 55
+COORDS -1.5306680000e+00 -6.3403800000e-01 -1.0955680000e+00 -1.0244840000e+00 -1.3894390000e+00 -7.9660600000e-01 -1.8591290000e+00 -2.3180600000e-01 -2.9148200000e-01  1.5121050000e+00  6.7657200000e-01  1.0988710000e+00  1.5854060000e+00 -2.3942300000e-01  8.3089200000e-01  1.5893360000e+00  1.1720630000e+00  2.8354600000e-01
+ENERGY -1.526550742274e+02
+FORCES -1.6110000000e-04 -1.1947000000e-03  5.2633000000e-03 -1.1599000000e-03  3.1216000000e-03 -1.4328000000e-03  9.6790000000e-04 -2.0278000000e-03 -3.9430000000e-03  1.1122000000e-03 -1.1231000000e-03 -5.3517000000e-03 -9.0910000000e-04  3.1294000000e-03  1.4963000000e-03  1.5000000000e-04 -1.9053000000e-03  3.9680000000e-03
+
+JOB 56
+COORDS  1.7780860000e+00  1.4005300000e-01 -9.3767300000e-01  9.7314000000e-01  2.7961200000e-01 -4.3885800000e-01  2.0300940000e+00 -7.6179800000e-01 -7.3920500000e-01 -1.8021000000e+00 -7.8591000000e-02  8.6279200000e-01 -1.0718470000e+00  4.7772900000e-01  1.1338480000e+00 -1.5916520000e+00 -9.4155300000e-01  1.2195000000e+00
+ENERGY -1.526535365337e+02
+FORCES -2.9727000000e-03 -3.6015000000e-03  1.5825000000e-03  4.2935000000e-03  2.2000000000e-04 -1.6630000000e-04 -9.4950000000e-04  3.8286000000e-03 -4.5650000000e-04  1.6011000000e-03 -1.2062000000e-03  4.2420000000e-03 -1.6738000000e-03 -3.2434000000e-03 -3.1529000000e-03 -2.9860000000e-04  4.0025000000e-03 -2.0487000000e-03
+
+JOB 57
+COORDS -8.2890800000e-01  7.9522200000e-01  1.5774200000e+00 -5.3456600000e-01  1.7056530000e+00  1.6040720000e+00 -1.7070960000e+00  8.3790100000e-01  1.1990080000e+00  8.5354400000e-01 -8.3204100000e-01 -1.6251470000e+00  1.3933140000e+00 -3.6440900000e-01 -9.8780800000e-01  4.6517000000e-01 -1.5521400000e+00 -1.1283020000e+00
+ENERGY -1.526557810022e+02
+FORCES -3.2005000000e-03  4.3819000000e-03 -1.6899000000e-03 -9.0230000000e-04 -3.8653000000e-03 -8.7700000000e-05  3.5405000000e-03 -2.3290000000e-04  2.0253000000e-03  3.5700000000e-05 -6.1170000000e-04  6.2826000000e-03 -1.0250000000e-03 -1.7715000000e-03 -3.6235000000e-03  1.5516000000e-03  2.0995000000e-03 -2.9069000000e-03
+
+JOB 58
+COORDS  3.0517800000e-01 -4.2886900000e-01  1.8598260000e+00  1.1457620000e+00 -6.8192200000e-01  1.4782300000e+00  2.2357500000e-01 -9.7314200000e-01  2.6429860000e+00 -2.9940600000e-01  5.0499300000e-01 -1.9082690000e+00 -5.0283000000e-01  2.2351200000e-01 -1.0162940000e+00 -1.0839350000e+00  2.8973000000e-01 -2.4126560000e+00
+ENERGY -1.526569274682e+02
+FORCES  3.7753000000e-03 -3.3363000000e-03  3.3645000000e-03 -4.3025000000e-03  9.2340000000e-04  1.3777000000e-03  6.3190000000e-04  2.2355000000e-03 -3.2250000000e-03 -4.4177000000e-03 -1.7082000000e-03  2.6607000000e-03  1.2843000000e-03  1.0779000000e-03 -5.9675000000e-03  3.0288000000e-03  8.0770000000e-04  1.7896000000e-03
+
+JOB 59
+COORDS  1.7462000000e+00 -3.6649000000e-01 -7.7905400000e-01  1.8930420000e+00 -8.5318800000e-01 -1.5900990000e+00  2.5081420000e+00  2.0780600000e-01 -7.0249600000e-01 -1.7398580000e+00  3.7698200000e-01  7.8143400000e-01 -2.2821850000e+00  1.0001900000e+00  1.2648860000e+00 -2.1355870000e+00 -4.7575900000e-01  9.6160800000e-01
+ENERGY -1.526524745748e+02
+FORCES  3.2132000000e-03  1.0796000000e-03 -2.9348000000e-03 -6.7250000000e-04  1.7509000000e-03  3.4429000000e-03 -2.9427000000e-03 -2.4772000000e-03 -3.2000000000e-04 -3.2189000000e-03 -1.5755000000e-03  2.6446000000e-03  2.4515000000e-03 -2.3788000000e-03 -2.0860000000e-03  1.1694000000e-03  3.6011000000e-03 -7.4670000000e-04
+
+JOB 60
+COORDS  6.9517500000e-01  1.6099700000e-01  1.9600350000e+00  1.2469000000e+00  8.9043600000e-01  1.6776340000e+00  4.6504000000e-02  6.6660000000e-02  1.2624970000e+00 -7.0765700000e-01 -2.5972700000e-01 -1.9376120000e+00 -1.2681870000e+00  3.5039900000e-01 -1.4582540000e+00  1.4707100000e-01  1.7031800000e-01 -1.9647240000e+00
+ENERGY -1.526537468783e+02
+FORCES -3.5000000000e-04  1.6127000000e-03 -3.8352000000e-03 -2.4875000000e-03 -2.9288000000e-03  7.2200000000e-04  2.6714000000e-03  1.8737000000e-03  3.2981000000e-03  8.1440000000e-04  4.1601000000e-03 -5.1550000000e-04  3.2853000000e-03 -3.0083000000e-03 -7.5700000000e-04 -3.9336000000e-03 -1.7094000000e-03  1.0875000000e-03
+
+JOB 61
+COORDS  1.8227760000e+00  2.5660000000e-02  1.0616100000e+00  1.4816190000e+00 -7.7664500000e-01  1.4567670000e+00  1.0535800000e+00  4.5412200000e-01  6.8612400000e-01 -1.7803700000e+00 -4.3094000000e-02 -1.1171040000e+00 -1.8714180000e+00 -3.0042200000e-01 -1.9964800000e-01 -1.3647450000e+00  8.1854900000e-01 -1.0845670000e+00
+ENERGY -1.526530347014e+02
+FORCES -4.0918000000e-03 -2.3369000000e-03 -5.2800000000e-04  1.1734000000e-03  3.6733000000e-03 -1.3378000000e-03  2.4944000000e-03 -9.8670000000e-04  1.9955000000e-03 -2.8620000000e-04  2.6407000000e-03  2.8228000000e-03  1.6216000000e-03  1.2406000000e-03 -3.7460000000e-03 -9.1130000000e-04 -4.2310000000e-03  7.9340000000e-04
+
+JOB 62
+COORDS  6.7925000000e-02 -6.8776600000e-01  1.9864840000e+00 -2.8229400000e-01  1.7024200000e-01  1.7468990000e+00  7.8886100000e-01 -4.9393900000e-01  2.5855800000e+00 -9.6582000000e-02  6.8315500000e-01 -2.0185780000e+00  5.2565100000e-01  2.7329600000e-01 -1.4176840000e+00 -5.8686100000e-01 -4.8969000000e-02 -2.3925470000e+00
+ENERGY -1.526559318132e+02
+FORCES  7.3900000000e-04  4.4360000000e-03  2.7787000000e-03  2.1837000000e-03 -4.0888000000e-03  8.2130000000e-04 -2.8941000000e-03 -7.8110000000e-04 -2.7644000000e-03  6.8580000000e-04 -5.5582000000e-03  6.5730000000e-04 -2.6149000000e-03  2.7809000000e-03 -2.7089000000e-03  1.9005000000e-03  3.2112000000e-03  1.2160000000e-03
+
+JOB 63
+COORDS  1.0105220000e+00 -1.7970550000e+00  1.8821400000e-01  1.6347290000e+00 -2.4627940000e+00  4.7698700000e-01  3.3008300000e-01 -2.2892350000e+00 -2.7112600000e-01 -1.0153470000e+00  1.7949450000e+00 -1.7768700000e-01 -4.8262400000e-01  2.3023830000e+00  4.3464100000e-01 -1.3878820000e+00  2.4480980000e+00 -7.7000500000e-01
+ENERGY -1.526535830173e+02
+FORCES -1.1647000000e-03 -4.3904000000e-03 -1.1203000000e-03 -2.4378000000e-03  2.9477000000e-03 -1.0865000000e-03  3.2239000000e-03  1.3054000000e-03  1.9277000000e-03  1.6283000000e-03  4.4221000000e-03  4.9700000000e-04 -2.6423000000e-03 -1.4411000000e-03 -2.5319000000e-03  1.3926000000e-03 -2.8438000000e-03  2.3140000000e-03
+
+JOB 64
+COORDS  1.5173670000e+00 -1.0986890000e+00  1.1095280000e+00  8.7801000000e-01 -1.5580470000e+00  5.6506100000e-01  1.9256230000e+00 -1.7878970000e+00  1.6335030000e+00 -1.4881350000e+00  1.2147720000e+00 -1.1446810000e+00 -2.1557720000e+00  1.1403320000e+00 -4.6280700000e-01 -1.1239000000e+00  3.3289400000e-01 -1.2212130000e+00
+ENERGY -1.526530693635e+02
+FORCES -2.1020000000e-04 -4.9109000000e-03  2.7110000000e-04  1.8550000000e-03  2.3923000000e-03  1.7595000000e-03 -1.7841000000e-03  2.9765000000e-03 -2.2021000000e-03 -6.6780000000e-04 -3.4131000000e-03  3.0347000000e-03  2.5159000000e-03  1.1520000000e-04 -3.0727000000e-03 -1.7089000000e-03  2.8401000000e-03  2.0960000000e-04
+
+JOB 65
+COORDS -1.3239520000e+00  8.1838100000e-01  1.5820260000e+00 -1.5124490000e+00  7.2867400000e-01  2.5161850000e+00 -3.6874800000e-01  8.5518400000e-01  1.5323970000e+00  1.3196860000e+00 -7.7972600000e-01 -1.6046370000e+00  7.6921300000e-01 -1.4219960000e+00 -1.1566400000e+00  1.0591330000e+00 -8.3983800000e-01 -2.5237290000e+00
+ENERGY -1.526552272333e+02
+FORCES  3.5017000000e-03  5.0130000000e-04  3.3888000000e-03  7.5280000000e-04  2.2460000000e-04 -3.8309000000e-03 -4.4717000000e-03 -5.4070000000e-04  8.9970000000e-04 -3.9133000000e-03 -2.8214000000e-03 -2.4361000000e-03  2.8518000000e-03  2.5948000000e-03 -1.6530000000e-03  1.2787000000e-03  4.1400000000e-05  3.6314000000e-03
+
+JOB 66
+COORDS -1.8541210000e+00 -3.8788800000e-01  1.1097720000e+00 -2.1930820000e+00  9.5614000000e-02  1.8631400000e+00 -2.6346280000e+00 -7.2526400000e-01  6.7020600000e-01  1.8770190000e+00  3.5143000000e-01 -1.1532240000e+00  2.0570420000e+00  1.2893680000e+00 -1.0892230000e+00  2.6318600000e+00 -6.6639000000e-02 -7.3889900000e-01
+ENERGY -1.526530617236e+02
+FORCES -4.4365000000e-03  5.4100000000e-04  6.7620000000e-04  1.5571000000e-03 -1.9086000000e-03 -3.0142000000e-03  3.0649000000e-03  1.3555000000e-03  2.0266000000e-03  3.1012000000e-03  1.9627000000e-03  2.7415000000e-03 -4.9910000000e-04 -3.6840000000e-03 -5.0430000000e-04 -2.7876000000e-03  1.7334000000e-03 -1.9257000000e-03
+
+JOB 67
+COORDS  2.1554740000e+00 -8.8465800000e-01  1.2365400000e-01  2.2359150000e+00 -1.0194250000e+00  1.0678990000e+00  1.5689950000e+00 -1.3308000000e-01  3.7605000000e-02 -2.1893980000e+00  8.3812700000e-01 -1.5173900000e-01 -1.3888560000e+00  8.8722600000e-01  3.7070900000e-01 -1.9034670000e+00  1.0209890000e+00 -1.0467460000e+00
+ENERGY -1.526528388477e+02
+FORCES -1.5462000000e-03  1.9579000000e-03  3.7050000000e-03 -4.8910000000e-04  8.2410000000e-04 -4.0961000000e-03  1.6060000000e-03 -2.6606000000e-03  3.9080000000e-04  3.6966000000e-03  8.2980000000e-04 -1.8580000000e-03 -2.3963000000e-03 -2.8500000000e-04 -2.2585000000e-03 -8.7100000000e-04 -6.6620000000e-04  4.1168000000e-03
+
+JOB 68
+COORDS  1.7752360000e+00 -1.4023020000e+00  6.3569100000e-01  1.6439630000e+00 -1.1899680000e+00  1.5597650000e+00  1.7194430000e+00 -5.5942300000e-01  1.8549800000e-01 -1.7475400000e+00  1.2919070000e+00 -6.5047900000e-01 -1.5130130000e+00  1.8374740000e+00 -1.4012020000e+00 -2.3331300000e+00  1.8405860000e+00 -1.2868700000e-01
+ENERGY -1.526545548569e+02
+FORCES -2.0858000000e-03  4.6792000000e-03  1.6232000000e-03  9.7460000000e-04 -1.0255000000e-03 -3.3852000000e-03  1.4551000000e-03 -3.5120000000e-03  1.8015000000e-03 -2.3488000000e-03  4.3633000000e-03 -1.2585000000e-03 -6.0030000000e-04 -2.2683000000e-03  3.3268000000e-03  2.6052000000e-03 -2.2368000000e-03 -2.1078000000e-03
+
+JOB 69
+COORDS -1.4006060000e+00  1.5482910000e+00 -1.1407960000e+00 -1.2567200000e+00  6.1660800000e-01 -1.3066120000e+00 -2.0866860000e+00  1.5701650000e+00 -4.7367700000e-01  1.4260020000e+00 -1.4649100000e+00  1.0606750000e+00  2.1774790000e+00 -1.9042760000e+00  1.4587600000e+00  6.8540700000e-01 -1.7037120000e+00  1.6181010000e+00
+ENERGY -1.526540928476e+02
+FORCES -1.2618000000e-03 -4.0351000000e-03  2.1636000000e-03 -1.5192000000e-03  3.9882000000e-03  4.4080000000e-04  2.5732000000e-03 -9.4900000000e-05 -2.6132000000e-03  7.3840000000e-04 -2.5812000000e-03  4.2231000000e-03 -3.1928000000e-03  1.7353000000e-03 -1.5838000000e-03  2.6622000000e-03  9.8770000000e-04 -2.6304000000e-03
+
+JOB 70
+COORDS  1.5250280000e+00  1.5533110000e+00 -8.4884500000e-01  1.0396340000e+00  2.3556000000e+00 -6.5660300000e-01  1.8669360000e+00  1.6857120000e+00 -1.7330400000e+00 -1.5808690000e+00 -1.5759380000e+00  8.8548500000e-01 -9.1007100000e-01 -1.5937710000e+00  2.0288400000e-01 -1.1881910000e+00 -2.0473240000e+00  1.6202170000e+00
+ENERGY -1.526551264594e+02
+FORCES -7.1540000000e-04  4.4219000000e-03 -2.6236000000e-03  2.2844000000e-03 -3.2227000000e-03 -9.9590000000e-04 -1.4369000000e-03 -7.1790000000e-04  3.6199000000e-03  5.0462000000e-03 -1.3875000000e-03  2.6000000000e-06 -3.4034000000e-03 -7.8030000000e-04  2.7990000000e-03 -1.7748000000e-03  1.6866000000e-03 -2.8019000000e-03
+
+JOB 71
+COORDS  9.7991000000e-02  2.0581780000e+00 -1.1197650000e+00  1.0260350000e+00  1.8959390000e+00 -9.5052100000e-01  7.4224000000e-02  2.9325270000e+00 -1.5085850000e+00 -1.9789400000e-01 -2.1399550000e+00  1.0889650000e+00  6.9349700000e-01 -1.8048560000e+00  9.9220300000e-01 -4.3387600000e-01 -1.9364030000e+00  1.9940130000e+00
+ENERGY -1.526533578508e+02
+FORCES  3.4798000000e-03  2.8918000000e-03 -1.2450000000e-03 -3.6776000000e-03  4.7490000000e-04 -3.6130000000e-04  8.5500000000e-05 -3.6215000000e-03  1.6668000000e-03  2.2249000000e-03  2.8801000000e-03  3.0059000000e-03 -3.2110000000e-03 -1.5292000000e-03  4.7090000000e-04  1.0985000000e-03 -1.0962000000e-03 -3.5373000000e-03
+
+JOB 72
+COORDS -2.1215960000e+00 -1.1264200000e+00  1.7967400000e-01 -3.0144760000e+00 -8.0257200000e-01  6.0848000000e-02 -1.5818430000e+00 -3.3649500000e-01  2.0994400000e-01  2.1010560000e+00  1.0418900000e+00 -2.1950100000e-01  2.9688150000e+00  7.1128300000e-01  1.2716000000e-02  1.9793250000e+00  1.8095830000e+00  3.3912300000e-01
+ENERGY -1.526547429658e+02
+FORCES -5.8890000000e-04  4.6180000000e-03 -8.0200000000e-04  3.5110000000e-03 -1.2757000000e-03  5.5990000000e-04 -3.3536000000e-03 -3.1722000000e-03  4.1440000000e-04  4.0053000000e-03  1.4447000000e-03  3.0647000000e-03 -3.5243000000e-03  1.6633000000e-03 -9.3690000000e-04 -4.9600000000e-05 -3.2782000000e-03 -2.3002000000e-03
+
+JOB 73
+COORDS  6.4260000000e-02 -1.8636470000e+00  1.4590610000e+00  4.4337400000e-01 -1.5524760000e+00  2.2810570000e+00  5.9991600000e-01 -2.6196560000e+00  1.2187410000e+00 -1.4785800000e-01  1.8266370000e+00 -1.4769660000e+00  7.8389100000e-01  1.8396850000e+00 -1.6958390000e+00 -4.0382300000e-01  2.7488580000e+00 -1.4621010000e+00
+ENERGY -1.526530678416e+02
+FORCES  3.5608000000e-03 -1.4551000000e-03  2.1452000000e-03 -1.4871000000e-03 -1.3825000000e-03 -3.2652000000e-03 -2.1318000000e-03  3.0825000000e-03  9.7690000000e-04  2.7662000000e-03  3.4019000000e-03 -5.6980000000e-04 -3.7306000000e-03  1.2230000000e-04  7.3950000000e-04  1.0225000000e-03 -3.7691000000e-03 -2.6600000000e-05
+
+JOB 74
+COORDS -2.5210830000e+00 -2.8963500000e-01 -4.2876000000e-02 -2.2905470000e+00 -1.0341330000e+00  5.1282800000e-01 -1.6801730000e+00  9.6660000000e-02 -2.8757500000e-01  2.3879050000e+00  3.0647100000e-01  3.8476000000e-02  2.8020940000e+00  3.9906100000e-01 -8.1949100000e-01  3.1161710000e+00  3.2190600000e-01  6.5946100000e-01
+ENERGY -1.526555370730e+02
+FORCES  5.1770000000e-03 -1.2797000000e-03  1.4458000000e-03 -1.3913000000e-03  2.7290000000e-03 -2.1375000000e-03 -4.3009000000e-03 -1.5249000000e-03  5.8110000000e-04  5.2937000000e-03  5.9690000000e-04 -7.9670000000e-04 -1.8429000000e-03 -4.0490000000e-04  3.5660000000e-03 -2.9355000000e-03 -1.1650000000e-04 -2.6588000000e-03
+
+JOB 75
+COORDS -1.5628290000e+00 -1.6062790000e+00 -1.0778860000e+00 -2.4313070000e+00 -1.2038400000e+00 -1.0824140000e+00 -1.7034990000e+00 -2.4764600000e+00 -7.0475400000e-01  1.6719250000e+00  1.5962050000e+00  1.0568460000e+00  1.2585420000e+00  2.0071770000e+00  1.8160880000e+00  1.0841620000e+00  1.7933810000e+00  3.2753900000e-01
+ENERGY -1.526541477526e+02
+FORCES -3.8953000000e-03 -2.4854000000e-03  1.6329000000e-03  3.6674000000e-03 -1.3308000000e-03  7.4900000000e-05  3.3830000000e-04  3.5916000000e-03 -1.6397000000e-03 -4.4212000000e-03  1.8164000000e-03 -3.6060000000e-04  1.7010000000e-03 -1.5563000000e-03 -2.9308000000e-03  2.6098000000e-03 -3.5500000000e-05  3.2233000000e-03
+
+JOB 76
+COORDS -2.1586270000e+00 -5.3133600000e-01  1.2872980000e+00 -1.6203220000e+00 -4.4670100000e-01  2.0742510000e+00 -2.1939540000e+00  3.5369000000e-01  9.2437500000e-01  2.1243870000e+00  4.1476800000e-01 -1.3600330000e+00  1.5402970000e+00  5.1970300000e-01 -6.0899400000e-01  2.7098580000e+00  1.1707670000e+00 -1.3161980000e+00
+ENERGY -1.526536440379e+02
+FORCES  1.1674000000e-03  3.6518000000e-03  1.9424000000e-03 -1.8783000000e-03 -1.4200000000e-04 -3.5780000000e-03  7.4340000000e-04 -3.6584000000e-03  1.5346000000e-03 -1.0100000000e-05  3.1280000000e-03  3.1363000000e-03  2.4998000000e-03  1.0380000000e-04 -2.9321000000e-03 -2.5222000000e-03 -3.0832000000e-03 -1.0310000000e-04
+
+JOB 77
+COORDS  2.3487000000e-01  2.8436000000e-01  2.5840780000e+00  1.0296600000e+00 -2.3487200000e-01  2.7063020000e+00  3.0436400000e-01  6.2304300000e-01  1.6915000000e+00 -2.6867400000e-01 -2.6554500000e-01 -2.4758420000e+00 -2.5820000000e-02  2.5137000000e-01 -3.2439910000e+00 -8.2667600000e-01 -9.6204100000e-01 -2.8219030000e+00
+ENERGY -1.526551640503e+02
+FORCES  3.3091000000e-03 -8.7810000000e-04 -3.9243000000e-03 -3.0738000000e-03  2.0563000000e-03 -1.7680000000e-04 -6.4500000000e-05 -1.0183000000e-03  4.4639000000e-03 -1.6505000000e-03 -9.5590000000e-04 -4.8497000000e-03 -9.3120000000e-04 -2.1127000000e-03  3.2204000000e-03  2.4108000000e-03  2.9088000000e-03  1.2666000000e-03
+
+JOB 78
+COORDS  5.8947800000e-01  2.0990240000e+00  1.5599890000e+00  9.3540400000e-01  1.6778130000e+00  7.7312900000e-01 -3.5084700000e-01  2.1748860000e+00  1.3979250000e+00 -6.1771700000e-01 -2.0741910000e+00 -1.5356150000e+00 -4.1932400000e-01 -2.4230270000e+00 -6.6660100000e-01  2.3287500000e-01 -1.8154850000e+00 -1.8902940000e+00
+ENERGY -1.526543903503e+02
+FORCES -2.8011000000e-03 -1.1499000000e-03 -4.0420000000e-03 -1.0454000000e-03  1.4655000000e-03  3.2973000000e-03  3.9874000000e-03 -2.4930000000e-04  8.5540000000e-04  4.2174000000e-03 -1.2919000000e-03  1.8792000000e-03 -8.0430000000e-04  1.7964000000e-03 -3.6751000000e-03 -3.5540000000e-03 -5.7080000000e-04  1.6852000000e-03
+
+JOB 79
+COORDS  2.5402170000e+00 -4.0361700000e-01  6.7999600000e-01  3.2388070000e+00 -9.8308200000e-01  3.7598400000e-01  2.3147460000e+00  1.2323100000e-01 -8.6702000000e-02 -2.6108120000e+00  3.6712700000e-01 -5.8695000000e-01 -1.6879710000e+00  5.4841000000e-01 -4.0881700000e-01 -2.8224860000e+00  9.1802600000e-01 -1.3405650000e+00
+ENERGY -1.526538262078e+02
+FORCES  2.5090000000e-03 -6.3930000000e-04 -4.2334000000e-03 -2.8699000000e-03  2.5217000000e-03  1.2317000000e-03  2.4960000000e-04 -1.9765000000e-03  3.1568000000e-03  2.8710000000e-03  2.8680000000e-03 -1.8843000000e-03 -3.7566000000e-03 -4.9470000000e-04 -1.2889000000e-03  9.9690000000e-04 -2.2792000000e-03  3.0181000000e-03
+
+JOB 80
+COORDS  2.1997230000e+00 -9.1567500000e-01  1.4088290000e+00  2.6074120000e+00 -2.2653900000e-01  8.8431500000e-01  1.7388390000e+00 -1.4613570000e+00  7.7160900000e-01 -2.1296780000e+00  8.8692000000e-01 -1.3389430000e+00 -2.9188210000e+00  3.7410000000e-01 -1.1643020000e+00 -2.4516180000e+00  1.7719160000e+00 -1.5103180000e+00
+ENERGY -1.526545977308e+02
+FORCES -8.4870000000e-04  9.5930000000e-04 -5.0911000000e-03 -1.2076000000e-03 -2.8254000000e-03  2.2799000000e-03  2.2074000000e-03  1.7718000000e-03  2.7825000000e-03 -4.7361000000e-03  1.6920000000e-03  2.5540000000e-04  3.2640000000e-03  2.0355000000e-03 -8.3530000000e-04  1.3211000000e-03 -3.6332000000e-03  6.0860000000e-04
+
+JOB 81
+COORDS -3.4259700000e+00 -1.3079240000e+00 -2.2587000000e-02 -3.6521440000e+00 -9.1966700000e-01 -8.6776900000e-01 -3.5495770000e+00 -2.2485450000e+00 -1.4981400000e-01  3.4415630000e+00  1.4053730000e+00  1.0737700000e-01  3.9347750000e+00  1.0647470000e+00 -6.3891200000e-01  3.0173260000e+00  6.3547900000e-01  4.8621600000e-01
+ENERGY -1.526541335939e+02
+FORCES -1.6036000000e-03 -2.1328000000e-03 -3.9692000000e-03  9.6290000000e-04 -1.6656000000e-03  3.4455000000e-03  6.0600000000e-04  3.8245000000e-03  5.2310000000e-04  8.0200000000e-05 -4.5561000000e-03 -1.3918000000e-03 -1.9715000000e-03  1.3991000000e-03  2.9919000000e-03  1.9260000000e-03  3.1309000000e-03 -1.5994000000e-03
+
+JOB 82
+COORDS -3.9686500000e-01 -6.6128800000e-01 -3.8131790000e+00 -9.9556500000e-01 -1.1048410000e+00 -4.4140550000e+00  1.6149100000e-01 -1.3597290000e+00 -3.4716380000e+00  3.6588000000e-01  6.9664600000e-01  3.7734130000e+00  2.2936200000e-01  1.6039060000e+00  4.0463130000e+00  1.0172890000e+00  3.5690700000e-01  4.3869880000e+00
+ENERGY -1.526539848403e+02
+FORCES -1.8560000000e-04 -4.6682000000e-03 -7.9350000000e-04  2.4394000000e-03  1.8224000000e-03  2.3817000000e-03 -2.2398000000e-03  2.8120000000e-03 -1.5649000000e-03  2.0645000000e-03  2.4356000000e-03  3.5115000000e-03  5.7090000000e-04 -3.7325000000e-03 -1.0309000000e-03 -2.6495000000e-03  1.3308000000e-03 -2.5038000000e-03
+
+JOB 83
+COORDS -7.0003000000e-02 -1.3677060000e+00  3.7180990000e+00  8.8107000000e-02 -2.1188400000e+00  3.1462330000e+00  6.8820200000e-01 -1.3468150000e+00  4.3019830000e+00  1.2491000000e-02  1.4429990000e+00 -3.7737110000e+00 -1.2621100000e-01  1.7117610000e+00 -2.8655480000e+00  2.4726700000e-01  5.1679100000e-01 -3.7166970000e+00
+ENERGY -1.526541619089e+02
+FORCES  3.7106000000e-03 -3.0694000000e-03  3.0590000000e-04 -6.3470000000e-04  3.1577000000e-03  2.1859000000e-03 -3.0936000000e-03 -7.4200000000e-05 -2.4630000000e-03  3.0250000000e-04 -2.6203000000e-03  4.0279000000e-03  6.2370000000e-04 -1.1171000000e-03 -3.7898000000e-03 -9.0840000000e-04  3.7233000000e-03 -2.6690000000e-04
+
+JOB 84
+COORDS  6.2877800000e-01 -4.4248430000e+00  2.4727000000e-01  4.5347500000e-01 -4.5341370000e+00 -6.8737200000e-01  8.3807900000e-01 -3.4959510000e+00  3.4517100000e-01 -5.9139800000e-01  4.4021790000e+00 -2.4550300000e-01 -4.7868500000e-01  4.4625650000e+00  7.0311700000e-01 -1.3871040000e+00  3.8825970000e+00 -3.6004200000e-01
+ENERGY -1.526541193496e+02
+FORCES  2.3980000000e-04  3.3144000000e-03 -3.4721000000e-03  6.7200000000e-04  4.4980000000e-04  3.8347000000e-03 -9.2840000000e-04 -3.7772000000e-03 -3.4890000000e-04 -2.8567000000e-03 -1.6988000000e-03  3.4454000000e-03 -4.3600000000e-04 -3.1700000000e-04 -3.9011000000e-03  3.3092000000e-03  2.0290000000e-03  4.4190000000e-04
+
+JOB 85
+COORDS -1.6156970000e+00 -3.2278380000e+00  3.0080430000e+00 -1.7872710000e+00 -2.4510550000e+00  2.4756870000e+00 -1.8156060000e+00 -3.9639960000e+00  2.4298220000e+00  1.6263520000e+00  3.2320000000e+00 -3.0061440000e+00  2.1786820000e+00  2.5439300000e+00 -2.6350330000e+00  1.3121770000e+00  3.7231160000e+00 -2.2469790000e+00
+ENERGY -1.526540930291e+02
+FORCES -1.6073000000e-03  9.0400000000e-05 -4.5230000000e-03  7.7350000000e-04 -3.1178000000e-03  2.1767000000e-03  8.4590000000e-04  3.0277000000e-03  2.3612000000e-03  1.0813000000e-03 -7.1100000000e-04  4.5956000000e-03 -2.3241000000e-03  2.7674000000e-03 -1.5130000000e-03  1.2307000000e-03 -2.0567000000e-03 -3.0975000000e-03
+
+JOB 86
+COORDS  3.3670000000e-03  4.7457590000e+00  9.1760300000e-01 -3.6613500000e-01  3.9202410000e+00  6.0420100000e-01  9.4844700000e-01  4.6436880000e+00  8.0518700000e-01 -5.9778000000e-02 -4.7580010000e+00 -8.9660300000e-01  2.5139400000e-01 -4.1938380000e+00 -1.6045040000e+00 -4.8560000000e-03 -4.2116640000e+00 -1.1255500000e-01
+ENERGY -1.526539072407e+02
+FORCES  2.3343000000e-03 -3.6772000000e-03 -1.7312000000e-03  1.5450000000e-03  3.3002000000e-03  1.2791000000e-03 -3.8784000000e-03  3.5010000000e-04  4.5090000000e-04  1.4852000000e-03  4.4248000000e-03  3.0960000000e-04 -1.2720000000e-03 -2.2390000000e-03  2.9247000000e-03 -2.1420000000e-04 -2.1588000000e-03 -3.2331000000e-03
+
+JOB 87
+COORDS -1.6257070000e+00  2.3179200000e+00 -4.5926550000e+00 -1.9276610000e+00  1.8292800000e+00 -3.8269620000e+00 -1.4408120000e+00  1.6458280000e+00 -5.2486570000e+00  1.5987520000e+00 -2.3061700000e+00  4.5845580000e+00  1.3016600000e+00 -1.4301340000e+00  4.8305850000e+00  2.5251150000e+00 -2.1942840000e+00  4.3711000000e+00
+ENERGY -1.526541383269e+02
+FORCES -5.0730000000e-04 -4.7664000000e-03  4.3250000000e-04  1.2482000000e-03  2.0210000000e-03 -3.1123000000e-03 -7.4140000000e-04  2.7541000000e-03  2.6722000000e-03  2.6024000000e-03  4.0363000000e-03  1.9570000000e-04  1.1917000000e-03 -3.5817000000e-03 -1.0343000000e-03 -3.7936000000e-03 -4.6340000000e-04  8.4620000000e-04
+
+JOB 88
+COORDS  4.1487110000e+00 -4.4831060000e+00 -3.0161900000e-01  4.7894930000e+00 -3.9530750000e+00 -7.7564100000e-01  3.8729690000e+00 -5.1477100000e+00 -9.3288800000e-01 -4.1083120000e+00  4.5133470000e+00  3.5184900000e-01 -4.4158560000e+00  3.6502720000e+00  6.2888800000e-01 -4.9078830000e+00  5.0251780000e+00  2.2959200000e-01
+ENERGY -1.526540779030e+02
+FORCES  1.4939000000e-03 -5.0680000000e-04 -4.5140000000e-03 -2.6079000000e-03 -2.1867000000e-03  1.9322000000e-03  1.1174000000e-03  2.6957000000e-03  2.5797000000e-03 -4.4967000000e-03 -1.4605000000e-03  6.6110000000e-04  1.2343000000e-03  3.5375000000e-03 -1.1464000000e-03  3.2591000000e-03 -2.0792000000e-03  4.8740000000e-04
+
+JOB 89
+COORDS -4.8172950000e+00 -4.0599410000e+00  2.9504400000e-01 -4.3783540000e+00 -4.5115280000e+00 -4.2581000000e-01 -5.7400890000e+00 -4.0431180000e+00  4.1270000000e-02  4.9001800000e+00  4.1109700000e+00 -2.0690800000e-01  4.7200310000e+00  3.1987020000e+00 -4.3394300000e-01  4.1370870000e+00  4.5928410000e+00 -5.2584600000e-01
+ENERGY -1.526540934232e+02
+FORCES -2.0088000000e-03 -1.8147000000e-03 -3.9499000000e-03 -1.7705000000e-03  1.8689000000e-03  2.9314000000e-03  3.7772000000e-03 -5.5000000000e-05  1.0241000000e-03 -3.8786000000e-03 -1.7729000000e-03 -2.1876000000e-03  7.5470000000e-04  3.7264000000e-03  9.0140000000e-04  3.1260000000e-03 -1.9526000000e-03  1.2807000000e-03
+
+JOB 0
+COORDS -7.6200000000e-02 -6.6890900000e-01  1.0201340000e+00  8.3464100000e-01 -4.0317800000e-01  1.1465820000e+00 -2.2107000000e-02 -1.5768040000e+00  7.2175000000e-01  4.4986000000e-02  6.9895000000e-01 -1.0719360000e+00 -1.2195200000e-01  8.3837000000e-02 -3.5779400000e-01 -3.0610900000e-01  1.5322390000e+00 -7.5793700000e-01
+ENERGY -1.526532429773e+02
+FORCES  4.1883000000e-03  9.2915000000e-03 -1.4238700000e-02 -6.6717000000e-03 -7.3620000000e-04 -3.8328000000e-03  1.8120000000e-04  7.7621000000e-03 -1.5338000000e-03 -6.0611000000e-03 -1.4884900000e-02  2.5193300000e-02  6.7086000000e-03  1.0116000000e-03 -6.3180000000e-03  1.6547000000e-03 -2.4442000000e-03  7.2990000000e-04
+
+JOB 1
+COORDS -5.4358900000e-01  9.8094100000e-01  5.5551000000e-01 -1.6441100000e-01  1.6333450000e+00 -3.3407000000e-02  2.0830000000e-01  6.0526300000e-01  1.0135070000e+00  5.4195700000e-01 -9.9650600000e-01 -5.5938000000e-01  4.4117000000e-02 -1.8125520000e+00 -5.0981800000e-01 -1.0912400000e-01 -3.0922400000e-01 -4.1807300000e-01
+ENERGY -1.526543388448e+02
+FORCES  1.1833100000e-02 -1.0504700000e-02 -3.8186000000e-03 -1.9092000000e-03 -7.3275000000e-03  8.8960000000e-04 -5.6995000000e-03 -2.5280000000e-04 -6.3699000000e-03 -1.4299200000e-02  1.6556300000e-02  7.4809000000e-03 -9.4900000000e-05  4.2409000000e-03  1.3130000000e-03  1.0169700000e-02 -2.7122000000e-03  5.0500000000e-04
+
+JOB 2
+COORDS  6.0304900000e-01 -6.9802800000e-01  8.9284500000e-01 -2.1514400000e-01 -1.0502950000e+00  1.2431310000e+00  7.3370200000e-01  1.2276900000e-01  1.3676650000e+00 -5.3828200000e-01  7.1635700000e-01 -9.7971400000e-01 -2.6826600000e-01  4.1249300000e-01 -1.1311700000e-01 -1.3522330000e+00  2.4471800000e-01 -1.1565560000e+00
+ENERGY -1.526485600239e+02
+FORCES -4.2409000000e-03  3.8170000000e-03 -4.4163000000e-03  2.7819000000e-03  5.1960000000e-03 -5.6136000000e-03 -5.6985000000e-03 -2.5708000000e-03 -9.2319000000e-03  8.3181000000e-03 -1.4725200000e-02  1.2417900000e-02 -3.8988000000e-03  7.6890000000e-03  4.7712000000e-03  2.7383000000e-03  5.9400000000e-04  2.0727000000e-03
+
+JOB 3
+COORDS -1.1146220000e+00 -3.5767200000e-01 -3.6834500000e-01 -1.2116140000e+00 -1.0540010000e+00 -1.0179220000e+00 -2.0087300000e+00 -6.0193000000e-02 -2.0009100000e-01  1.2098180000e+00  3.4206200000e-01  3.5706200000e-01  2.5982800000e-01  4.5401000000e-01  3.2217300000e-01  1.4913580000e+00  9.0417600000e-01  1.0788630000e+00
+ENERGY -1.526554683752e+02
+FORCES  1.2251700000e-02 -6.5840000000e-04  3.5400000000e-05 -2.7974000000e-03  3.3571000000e-03  3.0757000000e-03  5.4316000000e-03 -8.7030000000e-04 -1.8870000000e-04 -1.4759600000e-02 -5.0847000000e-03 -4.8947000000e-03  4.4452000000e-03  4.9090000000e-03  4.1852000000e-03 -4.5715000000e-03 -1.6527000000e-03 -2.2130000000e-03
+
+JOB 4
+COORDS  9.1305600000e-01  4.2718700000e-01  9.3456100000e-01  4.7605000000e-01 -2.4806400000e-01  4.1562600000e-01  4.6336800000e-01  1.2388890000e+00  6.9971400000e-01 -8.4119100000e-01 -3.8470800000e-01 -9.0864500000e-01 -3.6451700000e-01 -1.2146160000e+00 -9.2493400000e-01 -1.6867290000e+00 -6.0127500000e-01 -5.1571100000e-01
+ENERGY -1.526519047944e+02
+FORCES -1.4399600000e-02 -7.4100000000e-05 -1.4042000000e-02  3.6391000000e-03 -9.0287000000e-03  1.7850000000e-04  2.3289000000e-03  2.8810000000e-04  3.2825000000e-03  2.2124000000e-03 -5.0520000000e-04  5.4444000000e-03  8.3410000000e-04  7.7573000000e-03  6.4942000000e-03  5.3851000000e-03  1.5627000000e-03 -1.3577000000e-03
+
+JOB 5
+COORDS -1.9890300000e-01 -7.8487800000e-01 -1.1189830000e+00 -4.6686600000e-01 -1.1393200000e-01 -4.9108200000e-01  5.2902000000e-01 -1.2363570000e+00 -6.9175300000e-01  1.2250300000e-01  7.5409800000e-01  1.0031610000e+00  9.8758000000e-02  4.9611500000e-01  1.9246340000e+00  9.1690300000e-01  1.2819160000e+00  9.2211100000e-01
+ENERGY -1.526571252243e+02
+FORCES  4.0259000000e-03  8.5429000000e-03  1.6535700000e-02 -2.7612000000e-03 -9.4570000000e-04 -5.2963000000e-03 -4.5790000000e-04 -7.2790000000e-04 -2.2922000000e-03  9.7260000000e-04 -4.5396000000e-03 -5.8433000000e-03  1.7739000000e-03  1.0823000000e-03 -4.7325000000e-03 -3.5532000000e-03 -3.4121000000e-03  1.6285000000e-03
+
+JOB 6
+COORDS  7.7358800000e-01 -9.8609700000e-01 -6.0861400000e-01  7.9959500000e-01 -3.3386700000e-01  9.1495000000e-02  4.5208000000e-02 -7.1138600000e-01 -1.1655950000e+00 -7.0290300000e-01  9.1140800000e-01  5.2975500000e-01 -1.1688980000e+00  2.9280500000e-01  1.0922600000e+00 -6.8413700000e-01  1.7257490000e+00  1.0324760000e+00
+ENERGY -1.526573471857e+02
+FORCES -8.9676000000e-03  1.4408600000e-02  3.8007000000e-03  3.4690000000e-03 -5.0926000000e-03  1.6446000000e-03  1.2323000000e-03 -3.7788000000e-03 -4.3870000000e-04 -2.5740000000e-04 -3.9164000000e-03 -1.9300000000e-05  3.6980000000e-03  3.4716000000e-03 -2.9568000000e-03  8.2570000000e-04 -5.0924000000e-03 -2.0305000000e-03
+
+JOB 7
+COORDS -5.4425100000e-01 -1.1009190000e+00  6.1231600000e-01 -1.4912750000e+00 -9.6202700000e-01  6.2163100000e-01 -1.8060400000e-01 -2.5730300000e-01  3.4342100000e-01  5.5191100000e-01  9.7420200000e-01 -5.7746200000e-01  4.4070100000e-01  1.4345070000e+00 -1.4093170000e+00  1.0566650000e+00  1.5792560000e+00 -3.3988000000e-02
+ENERGY -1.526578321900e+02
+FORCES  4.5786000000e-03  1.3596800000e-02 -8.7146000000e-03  2.7401000000e-03  4.3860000000e-04 -8.1280000000e-04 -1.1229000000e-03 -3.8403000000e-03  6.9883000000e-03 -4.4879000000e-03 -6.3498000000e-03  6.3580000000e-04  1.9190000000e-03 -3.1670000000e-04  4.7452000000e-03 -3.6268000000e-03 -3.5286000000e-03 -2.8420000000e-03
+
+JOB 8
+COORDS  4.7351400000e-01  5.8418000000e-02  1.1842440000e+00 -2.0824600000e-01 -2.0106000000e-02  1.8515290000e+00  9.9183700000e-01  8.1493100000e-01  1.4585810000e+00 -4.9281700000e-01 -5.7462000000e-02 -1.2441600000e+00 -8.0077000000e-02 -4.0458100000e-01 -4.5334700000e-01 -2.8088500000e-01 -6.9563700000e-01 -1.9253720000e+00
+ENERGY -1.526583307336e+02
+FORCES -3.3311000000e-03  4.8101000000e-03 -7.4958000000e-03  3.5308000000e-03  5.7150000000e-04 -3.2584000000e-03 -2.7730000000e-03 -3.6275000000e-03  1.1309000000e-03  5.9436000000e-03  4.3540000000e-04  1.2715000000e-02 -4.2856000000e-03 -3.6508000000e-03 -7.5692000000e-03  9.1530000000e-04  1.4613000000e-03  4.4774000000e-03
+
+JOB 9
+COORDS -1.1411390000e+00  4.8640800000e-01  4.0744400000e-01 -1.5008600000e+00  3.9798800000e-01  1.2900620000e+00 -1.5527860000e+00 -2.1931200000e-01 -9.1292000000e-02  1.1908520000e+00 -4.9712600000e-01 -4.4735400000e-01  1.8187060000e+00  1.9697800000e-01 -6.4798200000e-01  5.1245100000e-01 -6.4548000000e-02  7.1182000000e-02
+ENERGY -1.526604387411e+02
+FORCES  1.1585000000e-03 -4.8244000000e-03 -2.5703000000e-03  2.4095000000e-03 -4.7090000000e-04 -4.8736000000e-03  3.0802000000e-03  3.7410000000e-03  4.3469000000e-03 -1.1401300000e-02  8.6912000000e-03  5.6459000000e-03 -2.6452000000e-03 -1.2100000000e-03  1.3201000000e-03  7.3983000000e-03 -5.9269000000e-03 -3.8690000000e-03
+
+JOB 10
+COORDS -1.2375260000e+00  4.9125300000e-01  5.1817100000e-01 -1.6910240000e+00 -3.3713000000e-01  3.6211700000e-01 -6.0020900000e-01  5.5368500000e-01 -1.9327900000e-01  1.1704950000e+00 -4.5446800000e-01 -4.7587300000e-01  1.8107210000e+00 -1.1655910000e+00 -5.0131100000e-01  1.6897700000e+00  3.2970500000e-01 -2.9794500000e-01
+ENERGY -1.526553470482e+02
+FORCES  8.4657000000e-03 -9.2148000000e-03 -5.5296000000e-03 -4.2390000000e-04  2.7610000000e-03  1.2007000000e-03 -1.9753000000e-03  5.8524000000e-03  1.4347000000e-03  4.8950000000e-04  3.4590000000e-04  4.0763000000e-03 -2.4357000000e-03  3.3669000000e-03  8.4330000000e-04 -4.1203000000e-03 -3.1114000000e-03 -2.0254000000e-03
+
+JOB 11
+COORDS -1.1075250000e+00  8.3988900000e-01  3.2595500000e-01 -4.1758100000e-01  1.8521900000e-01  2.1817500000e-01 -1.9132110000e+00  3.2891700000e-01  4.0347800000e-01  1.0537580000e+00 -7.5731800000e-01 -3.1455100000e-01  1.6980880000e+00 -1.1346710000e+00  2.8434400000e-01  1.5453830000e+00 -5.8284100000e-01 -1.1171050000e+00
+ENERGY -1.526613870377e+02
+FORCES  7.9645000000e-03 -8.3328000000e-03 -2.7345000000e-03 -8.2448000000e-03  4.7991000000e-03  3.1525000000e-03  3.1402000000e-03  6.0790000000e-04 -3.1510000000e-04  5.0110000000e-04  3.3462000000e-03 -8.8190000000e-04 -2.5922000000e-03  1.7358000000e-03 -3.6735000000e-03 -7.6880000000e-04 -2.1562000000e-03  4.4525000000e-03
+
+JOB 12
+COORDS -3.3185900000e-01  1.3736910000e+00 -2.1196400000e-01 -3.8796800000e-01  4.1833300000e-01 -1.9262100000e-01 -9.1850600000e-01  1.6627460000e+00  4.8698200000e-01  4.1138200000e-01 -1.3030040000e+00  1.5196200000e-01  6.2120000000e-02 -2.1305650000e+00 -1.7878100000e-01 -1.1399600000e-01 -1.1144690000e+00  9.2956400000e-01
+ENERGY -1.526551642975e+02
+FORCES  1.8651000000e-03 -8.9511000000e-03 -6.9400000000e-05 -5.2157000000e-03  6.5723000000e-03  5.2120000000e-03  2.6115000000e-03 -3.5652000000e-03 -1.6066000000e-03 -6.0890000000e-04 -2.4935000000e-03  2.3710000000e-03  1.4051000000e-03  4.9858000000e-03  2.0418000000e-03 -5.7100000000e-05  3.4517000000e-03 -7.9487000000e-03
+
+JOB 13
+COORDS  6.0703000000e-02 -1.2583510000e+00  6.6282300000e-01 -2.2236100000e-01 -1.2936420000e+00 -2.5088500000e-01  1.0146010000e+00 -1.1940160000e+00  6.1623400000e-01 -1.5131800000e-01  1.2457950000e+00 -5.7398600000e-01 -6.6366000000e-02  1.8265280000e+00 -1.3301370000e+00  7.1839900000e-01  8.6013600000e-01 -4.6867000000e-01
+ENERGY -1.526509531456e+02
+FORCES -1.0255000000e-03  3.8902000000e-03 -5.6794000000e-03  3.3304000000e-03 -1.7751000000e-03  3.5592000000e-03 -3.8906000000e-03  2.9368000000e-03 -1.1149000000e-03  4.2249000000e-03 -8.2940000000e-04  2.0676000000e-03 -6.0980000000e-04 -4.2455000000e-03  3.6119000000e-03 -2.0295000000e-03  2.3100000000e-05 -2.4444000000e-03
+
+JOB 14
+COORDS -5.4040300000e-01 -5.9107300000e-01 -1.1229520000e+00 -1.0903700000e-01 -1.4411400000e+00 -1.2097960000e+00 -1.4712840000e+00 -8.0090400000e-01 -1.0476970000e+00  5.7681600000e-01  7.1184700000e-01  1.1356710000e+00  5.9869600000e-01 -2.6998000000e-02  1.7438330000e+00  3.4162600000e-01  3.2253300000e-01  2.9344000000e-01
+ENERGY -1.526601971174e+02
+FORCES -3.3418000000e-03 -2.1959000000e-03  1.4899000000e-03 -2.1515000000e-03  4.6568000000e-03  2.2673000000e-03  4.9952000000e-03 -3.8130000000e-04 -8.4740000000e-04 -5.2041000000e-03 -7.2077000000e-03 -8.5463000000e-03 -1.5390000000e-04  1.6764000000e-03 -2.0510000000e-03  5.8560000000e-03  3.4518000000e-03  7.6875000000e-03
+
+JOB 15
+COORDS  1.1339270000e+00 -5.6427800000e-01  6.6435900000e-01  1.8377710000e+00 -5.2517000000e-02  1.0630270000e+00  5.7887400000e-01  8.5797000000e-02  2.3360300000e-01 -1.1037170000e+00  5.5379700000e-01 -6.4911000000e-01 -8.8265600000e-01 -2.3279700000e-01 -1.1477420000e+00 -2.0031790000e+00  4.0740300000e-01 -3.5624500000e-01
+ENERGY -1.526601798479e+02
+FORCES -5.5392000000e-03  6.8679000000e-03 -1.5239000000e-03 -3.2324000000e-03 -7.1020000000e-04 -1.4898000000e-03  7.8725000000e-03 -6.4500000000e-03 -5.7950000000e-04 -3.5219000000e-03 -5.1607000000e-03  1.7454000000e-03  9.5370000000e-04  5.0766000000e-03  4.5598000000e-03  3.4673000000e-03  3.7640000000e-04 -2.7121000000e-03
+
+JOB 16
+COORDS -1.3495840000e+00 -5.5593700000e-01 -7.3241000000e-02 -4.6763900000e-01 -2.1903400000e-01  8.4564000000e-02 -1.7772400000e+00  1.2498200000e-01 -5.9255800000e-01  1.2783290000e+00  4.6980500000e-01  1.0434000000e-01  1.7184770000e+00  1.0966650000e+00  6.7840200000e-01  1.8499430000e+00  4.0239000000e-01 -6.6047600000e-01
+ENERGY -1.526613798336e+02
+FORCES  9.4687000000e-03  6.4245000000e-03 -1.1170000000e-04 -8.4749000000e-03 -3.7741000000e-03 -7.3350000000e-04  1.2707000000e-03 -1.8909000000e-03  1.2149000000e-03  7.4930000000e-04  3.6040000000e-04 -7.1890000000e-04 -9.9920000000e-04 -2.6912000000e-03 -3.8497000000e-03 -2.0145000000e-03  1.5713000000e-03  4.1989000000e-03
+
+JOB 17
+COORDS  3.1042600000e-01 -9.3950000000e-03 -1.3617430000e+00  3.9338200000e-01  8.8117000000e-01 -1.7026890000e+00 -4.8772600000e-01 -3.4821300000e-01 -1.7671890000e+00 -2.6048400000e-01 -5.6815000000e-02  1.4652640000e+00 -9.0317300000e-01  6.2805100000e-01  1.2804910000e+00  2.2192500000e-01 -1.6081300000e-01  6.4508200000e-01
+ENERGY -1.526598724133e+02
+FORCES -3.6428000000e-03  1.4779000000e-03 -2.0184000000e-03 -1.4811000000e-03 -4.2622000000e-03  2.1643000000e-03  3.7844000000e-03  2.7516000000e-03  1.8774000000e-03  1.2456000000e-03  2.2932000000e-03 -1.1995500000e-02  1.0543000000e-03 -1.6142000000e-03  1.1529000000e-03 -9.6040000000e-04 -6.4640000000e-04  8.8193000000e-03
+
+JOB 18
+COORDS  1.0918260000e+00 -4.8837700000e-01  8.5222600000e-01  1.6518030000e+00 -9.2013700000e-01  2.0705900000e-01  4.3707000000e-01 -2.5023000000e-02  3.2989600000e-01 -1.0248770000e+00  5.2133600000e-01 -7.7339100000e-01 -1.6666210000e+00  7.3272700000e-01 -1.4514090000e+00 -1.4149820000e+00 -2.0894500000e-01 -2.9303700000e-01
+ENERGY -1.526586798667e+02
+FORCES -1.8103000000e-03  4.1330000000e-03 -8.3905000000e-03 -1.7087000000e-03  8.7880000000e-04  2.3463000000e-03 -1.2610000000e-03 -6.5153000000e-03  5.7796000000e-03 -2.5002000000e-03 -7.7900000000e-04 -1.2008000000e-03  1.6932000000e-03 -2.2787000000e-03  3.4665000000e-03  5.5870000000e-03  4.5612000000e-03 -2.0012000000e-03
+
+JOB 19
+COORDS -1.8949900000e-01 -3.4485400000e-01 -1.4339160000e+00 -5.7813000000e-01 -1.2031320000e+00 -1.2649270000e+00 -4.9510400000e-01  2.0345300000e-01 -7.1128500000e-01  1.5814200000e-01  3.5347600000e-01  1.4122840000e+00  6.1515800000e-01 -8.4821000000e-02  6.9446500000e-01  8.0834600000e-01  9.5122500000e-01  1.7812870000e+00
+ENERGY -1.526585584572e+02
+FORCES -6.6915000000e-03  5.6010000000e-04  3.2654000000e-03  3.0551000000e-03  3.6815000000e-03  1.1410000000e-04  6.9932000000e-03 -5.2638000000e-03 -2.5504000000e-03  6.1670000000e-03 -3.2910000000e-04 -1.3129000000e-03 -7.1481000000e-03  4.2927000000e-03  2.5598000000e-03 -2.3756000000e-03 -2.9415000000e-03 -2.0760000000e-03
+
+JOB 20
+COORDS  1.2598950000e+00 -2.8359500000e-01 -7.5079200000e-01  4.6729200000e-01 -1.8738000000e-02 -2.8403400000e-01  1.0191360000e+00 -2.4052300000e-01 -1.6762170000e+00 -1.1483250000e+00  2.9924300000e-01  7.4369600000e-01 -1.6639060000e+00 -4.5170300000e-01  4.4960600000e-01 -1.4440610000e+00  4.5706400000e-01  1.6402810000e+00
+ENERGY -1.526607417960e+02
+FORCES -7.5843000000e-03  3.9963000000e-03  3.3040000000e-03  6.0912000000e-03 -4.2386000000e-03 -7.1383000000e-03 -3.1340000000e-04 -5.7920000000e-04  3.2956000000e-03 -1.3612000000e-03 -1.6454000000e-03  4.0827000000e-03  3.5637000000e-03  3.9908000000e-03  8.3790000000e-04 -3.9590000000e-04 -1.5240000000e-03 -4.3818000000e-03
+
+JOB 21
+COORDS  1.6235700000e-01 -4.6706100000e-01  1.4032580000e+00  5.3419700000e-01 -1.6415000000e-01  5.7487900000e-01  8.0658500000e-01 -1.0884280000e+00  1.7425310000e+00 -1.7025800000e-01  5.2654400000e-01 -1.3581280000e+00 -1.0973080000e+00  5.3134600000e-01 -1.1198290000e+00 -7.5036000000e-02 -2.3025400000e-01 -1.9364200000e+00
+ENERGY -1.526604436757e+02
+FORCES  3.0858000000e-03  1.9649000000e-03 -5.9097000000e-03  2.9390000000e-04 -4.5796000000e-03  8.7816000000e-03 -1.9780000000e-03  2.1290000000e-03 -2.6469000000e-03 -6.4851000000e-03 -2.6394000000e-03 -1.5970000000e-03  4.8447000000e-03  3.5900000000e-05 -2.1595000000e-03  2.3880000000e-04  3.0893000000e-03  3.5314000000e-03
+
+JOB 22
+COORDS  5.8260000000e-02  1.0875500000e+00 -1.0975990000e+00  8.6143700000e-01  1.4353260000e+00 -7.1005500000e-01 -2.0784400000e-01  3.8310200000e-01 -5.0669000000e-01 -9.9330000000e-02 -9.9838700000e-01  1.0059610000e+00 -1.5059300000e-01 -1.8536490000e+00  5.7919300000e-01  7.8845000000e-02 -1.1989650000e+00  1.9247940000e+00
+ENERGY -1.526603463895e+02
+FORCES  2.1546000000e-03 -4.7036000000e-03  8.9450000000e-03 -2.0255000000e-03  8.6800000000e-05 -1.9572000000e-03 -6.4160000000e-04  3.1711000000e-03 -7.6591000000e-03  8.0010000000e-04 -2.6499000000e-03  2.9501000000e-03  1.1960000000e-04  4.6600000000e-03  2.0313000000e-03 -4.0710000000e-04 -5.6440000000e-04 -4.3101000000e-03
+
+JOB 23
+COORDS  2.9015400000e-01 -1.4185190000e+00  9.1300000000e-04  8.9946300000e-01 -1.6987890000e+00 -6.8203900000e-01 -1.1554500000e-01 -2.2292700000e+00  3.0803400000e-01 -2.5529100000e-01  1.5180120000e+00  4.0919000000e-02 -4.6444000000e-01  6.0906400000e-01  2.5609800000e-01 -9.6247600000e-01  1.7956150000e+00 -5.4136800000e-01
+ENERGY -1.526595772715e+02
+FORCES  3.4767000000e-03 -3.4100000000e-03 -2.9386000000e-03 -3.1308000000e-03 -6.0140000000e-04  3.2976000000e-03  1.5575000000e-03  3.9967000000e-03 -1.7093000000e-03 -1.6496000000e-03 -7.3094000000e-03 -1.1564000000e-03 -2.6694000000e-03  8.6268000000e-03  7.3310000000e-04  2.4156000000e-03 -1.3028000000e-03  1.7736000000e-03
+
+JOB 24
+COORDS -3.1349400000e-01 -6.1559400000e-01 -1.3088470000e+00  6.0897600000e-01 -4.6863300000e-01 -1.5178530000e+00 -4.5204400000e-01 -1.5477240000e+00 -1.4766840000e+00  2.0538000000e-01  6.5033200000e-01  1.3305600000e+00  6.8580600000e-01  1.2639160000e+00  7.7473900000e-01  8.6562600000e-01  3.0141800000e-01  1.9293640000e+00
+ENERGY -1.526497396266e+02
+FORCES  3.4166000000e-03 -2.8938000000e-03  2.4598000000e-03 -3.3008000000e-03  6.2740000000e-04  6.4390000000e-04  5.7450000000e-04  3.7902000000e-03  7.9120000000e-04  2.9622000000e-03  1.6840000000e-04 -3.1539000000e-03 -8.3920000000e-04 -2.3739000000e-03  2.3427000000e-03 -2.8134000000e-03  6.8180000000e-04 -3.0837000000e-03
+
+JOB 25
+COORDS  1.0248740000e+00  1.0379950000e+00 -2.3715400000e-01  1.7120020000e+00  1.1962050000e+00  4.1019200000e-01  1.4796360000e+00  6.3324300000e-01 -9.7580000000e-01 -1.0636360000e+00 -1.0802860000e+00  2.5568200000e-01 -1.9305420000e+00 -8.2138900000e-01 -5.6853000000e-02 -5.7081300000e-01 -2.6103200000e-01  3.0235700000e-01
+ENERGY -1.526615550160e+02
+FORCES  5.9993000000e-03 -1.2849000000e-03 -1.7414000000e-03 -3.0924000000e-03 -1.0283000000e-03 -3.2456000000e-03 -1.5359000000e-03  2.6706000000e-03  3.7593000000e-03  2.4607000000e-03  7.4830000000e-03 -1.2989000000e-03  3.1378000000e-03 -5.5100000000e-04  7.4230000000e-04 -6.9695000000e-03 -7.2896000000e-03  1.7843000000e-03
+
+JOB 26
+COORDS  4.6038200000e-01 -8.7857600000e-01  1.0743630000e+00  9.0883200000e-01 -1.6109720000e+00  1.4971160000e+00 -1.3560600000e-01 -5.4325100000e-01  1.7441290000e+00 -4.9297200000e-01  9.4119600000e-01 -1.1652040000e+00  4.4902300000e-01  1.0923600000e+00 -1.0875720000e+00 -6.3608400000e-01  9.5329000000e-02 -7.4063400000e-01
+ENERGY -1.526594061917e+02
+FORCES  1.6090000000e-04 -1.6117000000e-03  5.2483000000e-03 -2.0094000000e-03  3.7661000000e-03 -1.3130000000e-03  2.4806000000e-03 -2.3667000000e-03 -3.7251000000e-03  6.0733000000e-03 -5.9489000000e-03  4.7348000000e-03 -3.1092000000e-03  1.5761000000e-03 -1.9175000000e-03 -3.5962000000e-03  4.5851000000e-03 -3.0276000000e-03
+
+JOB 27
+COORDS  4.2505200000e-01 -4.4083100000e-01 -1.4312370000e+00  8.6348000000e-02 -7.2536000000e-02 -6.1522800000e-01  3.9589400000e-01  2.8631600000e-01 -2.0530390000e+00 -3.5294500000e-01  3.3172800000e-01  1.4408700000e+00 -1.2503610000e+00  7.2689000000e-02  1.2316420000e+00 -3.3946900000e-01  1.2795050000e+00  1.3075730000e+00
+ENERGY -1.526579541737e+02
+FORCES -5.9130000000e-04  3.7522000000e-03  5.8313000000e-03 -1.1639000000e-03 -6.6320000000e-04 -1.0015800000e-02 -3.5330000000e-04 -2.0016000000e-03  3.2974000000e-03 -4.2575000000e-03  2.9154000000e-03  4.4014000000e-03  6.2031000000e-03  1.7379000000e-03 -1.5900000000e-03  1.6290000000e-04 -5.7406000000e-03 -1.9242000000e-03
+
+JOB 28
+COORDS  1.2600500000e+00 -7.4692900000e-01 -5.1401900000e-01  8.6520800000e-01  9.2565000000e-02 -2.7826000000e-01  1.6714150000e+00 -5.8847600000e-01 -1.3636680000e+00 -1.2372930000e+00  7.2260100000e-01  4.9646900000e-01 -1.0137170000e+00 -1.3850800000e-01  8.4965000000e-01 -1.9137300000e+00  1.0556110000e+00  1.0861890000e+00
+ENERGY -1.526593789240e+02
+FORCES -9.3950000000e-04  5.5703000000e-03 -3.4472000000e-03  3.1565000000e-03 -6.8574000000e-03  1.2870000000e-04 -1.1360000000e-03 -3.5380000000e-04  3.1456000000e-03 -3.7327000000e-03 -2.4413000000e-03  3.9134000000e-03  2.7310000000e-04  6.3729000000e-03 -1.3619000000e-03  2.3786000000e-03 -2.2907000000e-03 -2.3785000000e-03
+
+JOB 29
+COORDS -7.8479800000e-01 -1.0794540000e+00  6.6394500000e-01 -1.0863040000e+00 -1.9522260000e+00  9.1612600000e-01 -6.8521400000e-01 -6.1116000000e-01  1.4928080000e+00  8.4908200000e-01  1.0735830000e+00 -7.3315800000e-01  6.3522900000e-01  2.0034060000e+00 -8.1015400000e-01  3.0533000000e-02  6.6110900000e-01 -4.5734200000e-01
+ENERGY -1.526583598837e+02
+FORCES  1.0030000000e-04 -4.3139000000e-03  4.0043000000e-03  1.3630000000e-03  3.8064000000e-03  2.3010000000e-04 -1.3020000000e-03 -1.1017000000e-03 -4.8723000000e-03 -5.0291000000e-03 -1.7901000000e-03  1.5370000000e-04  3.2870000000e-04 -3.8085000000e-03  1.0341000000e-03  4.5391000000e-03  7.2078000000e-03 -5.5000000000e-04
+
+JOB 30
+COORDS -1.3032980000e+00 -1.1718700000e-01  7.6617000000e-01 -1.0483730000e+00  6.7461800000e-01  1.2397630000e+00 -2.1083530000e+00  1.2547900000e-01  3.0875100000e-01  1.3986010000e+00  6.6968000000e-02 -7.9109800000e-01  1.0808190000e+00  5.6401000000e-02  1.1175000000e-01  6.0438300000e-01  5.4443000000e-02 -1.3252260000e+00
+ENERGY -1.526566076369e+02
+FORCES -4.1590000000e-03  3.9672000000e-03  4.6680000000e-04  1.0326000000e-03 -4.3664000000e-03 -3.2225000000e-03  4.0648000000e-03 -9.6870000000e-04  1.6657000000e-03 -9.1298000000e-03 -2.5775000000e-03  3.1363000000e-03  4.3172000000e-03  2.7422000000e-03 -1.0225000000e-03  3.8742000000e-03  1.2032000000e-03 -1.0239000000e-03
+
+JOB 31
+COORDS -1.3774170000e+00  5.6042900000e-01 -1.8914800000e-01 -2.1890590000e+00  4.1178300000e-01  2.9600500000e-01 -1.6092490000e+00  1.2121010000e+00 -8.5082000000e-01  1.4356090000e+00 -6.3011100000e-01  2.4912500000e-01  2.0810380000e+00  1.7166000000e-02 -3.4927000000e-02  7.1136900000e-01 -5.3424900000e-01 -3.6935600000e-01
+ENERGY -1.526574318355e+02
+FORCES -5.1036000000e-03  1.8837000000e-03  1.8607000000e-03  3.0125000000e-03  1.4228000000e-03 -2.7189000000e-03  1.7938000000e-03 -3.1462000000e-03  2.7787000000e-03 -4.8817000000e-03  4.7689000000e-03 -2.9029000000e-03 -2.1214000000e-03 -2.1899000000e-03  7.6290000000e-04  7.3006000000e-03 -2.7393000000e-03  2.1950000000e-04
+
+JOB 32
+COORDS  1.5228400000e-01  1.3060540000e+00  7.6259700000e-01 -7.9501300000e-01  1.3310280000e+00  6.2755700000e-01  3.1902400000e-01  1.9823890000e+00  1.4191040000e+00 -1.2754400000e-01 -1.3756290000e+00 -7.2993800000e-01 -2.7482100000e-01 -4.4940900000e-01 -9.2140000000e-01  2.6812300000e-01 -1.7257270000e+00 -1.5281300000e+00
+ENERGY -1.526542531153e+02
+FORCES -2.4547000000e-03  2.5025000000e-03  4.4942000000e-03  4.9095000000e-03 -8.7820000000e-04 -2.1140000000e-03 -8.5570000000e-04 -3.0106000000e-03 -2.5842000000e-03  3.2226000000e-03  4.4613000000e-03 -2.3748000000e-03 -3.4558000000e-03 -4.3921000000e-03 -6.9620000000e-04 -1.3658000000e-03  1.3169000000e-03  3.2750000000e-03
+
+JOB 33
+COORDS  9.3923000000e-02 -1.4126450000e+00  7.2044300000e-01 -6.3550100000e-01 -1.6122220000e+00  1.3072490000e+00 -2.8553100000e-01 -8.4351300000e-01  5.0865000000e-02  5.6880000000e-03  1.3311660000e+00 -6.9863000000e-01  1.2906600000e-01  1.8920080000e+00 -1.4644410000e+00 -7.1371400000e-01  1.7385570000e+00 -2.1621500000e-01
+ENERGY -1.526574290195e+02
+FORCES -2.5788000000e-03  4.2067000000e-03 -2.8223000000e-03  2.4374000000e-03  1.6677000000e-03 -2.2188000000e-03 -1.2789000000e-03 -6.5470000000e-03  5.0794000000e-03 -4.1420000000e-04  5.9498000000e-03 -1.3342000000e-03 -7.2660000000e-04 -2.0001000000e-03  3.9173000000e-03  2.5611000000e-03 -3.2771000000e-03 -2.6214000000e-03
+
+JOB 34
+COORDS -3.5851300000e-01  1.0916330000e+00 -1.0513830000e+00 -3.4512100000e-01  2.5355200000e-01 -1.5136300000e+00 -8.9565200000e-01  1.6610130000e+00 -1.6023090000e+00  3.7962500000e-01 -1.1039330000e+00  1.0435910000e+00  7.5368300000e-01 -1.4552080000e+00  1.8516250000e+00  7.6744000000e-02 -2.2738600000e-01  1.2805730000e+00
+ENERGY -1.526583479298e+02
+FORCES -1.4061000000e-03 -2.3565000000e-03 -5.0130000000e-03 -1.0476000000e-03  5.2242000000e-03  6.4320000000e-04  2.2328000000e-03 -2.5525000000e-03  2.1383000000e-03  7.9200000000e-05  3.8765000000e-03  3.4383000000e-03 -1.5619000000e-03  1.8148000000e-03 -2.9753000000e-03  1.7036000000e-03 -6.0065000000e-03  1.7685000000e-03
+
+JOB 35
+COORDS -4.1302300000e-01  1.6100740000e+00  1.4780200000e-01 -4.6719600000e-01  9.0259900000e-01 -4.9467400000e-01  4.0706000000e-02  1.2210460000e+00  8.9547800000e-01  4.1766800000e-01 -1.4902360000e+00 -1.2256500000e-01 -4.9513800000e-01 -1.6371740000e+00 -3.7040900000e-01  8.7059200000e-01 -2.2900970000e+00 -3.8961100000e-01
+ENERGY -1.526573638862e+02
+FORCES  4.6552000000e-03 -6.9482000000e-03  4.3490000000e-04 -3.3843000000e-03  3.3306000000e-03  1.1635000000e-03 -2.6528000000e-03  3.6519000000e-03 -1.4701000000e-03 -6.0230000000e-04 -6.0313000000e-03 -1.8367000000e-03  4.4662000000e-03  2.7054000000e-03  4.1250000000e-04 -2.4819000000e-03  3.2917000000e-03  1.2959000000e-03
+
+JOB 36
+COORDS  1.6337170000e+00  4.8197000000e-02 -2.3665900000e-01  6.7721400000e-01  7.0049000000e-02 -2.0740800000e-01  1.8857920000e+00 -4.6127800000e-01  5.3348700000e-01 -1.5354780000e+00 -1.8771000000e-02  2.1731600000e-01 -2.1560000000e+00 -7.4729000000e-01  2.3841400000e-01 -1.9829690000e+00  6.6319600000e-01 -2.8358800000e-01
+ENERGY -1.526607402028e+02
+FORCES -6.6229000000e-03 -2.1110000000e-03  4.0490000000e-03  8.7952000000e-03  1.4038000000e-03 -2.1603000000e-03 -1.2160000000e-04  1.3823000000e-03 -2.6182000000e-03 -6.4047000000e-03 -8.7460000000e-04 -1.3873000000e-03  2.1003000000e-03  3.8050000000e-03 -2.7000000000e-06  2.2536000000e-03 -3.6056000000e-03  2.1195000000e-03
+
+JOB 37
+COORDS  2.7717800000e-01 -5.3691300000e-01  1.4813950000e+00 -9.9440000000e-02 -1.2856130000e+00  1.0189680000e+00  1.1866390000e+00 -7.8764500000e-01  1.6434080000e+00 -3.7334300000e-01  6.0267700000e-01 -1.4738370000e+00  1.9425800000e-01  9.4716800000e-01 -7.8435400000e-01  2.0411600000e-01  6.0978000000e-02 -2.0117350000e+00
+ENERGY -1.526565144400e+02
+FORCES -2.6940000000e-04 -5.6225000000e-03 -8.5130000000e-04  2.9299000000e-03  2.5182000000e-03  2.9472000000e-03 -3.7218000000e-03  1.8149000000e-03 -1.9535000000e-03  4.9993000000e-03 -1.4730000000e-04  3.6188000000e-03 -1.5706000000e-03  1.2170000000e-04 -6.1664000000e-03 -2.3674000000e-03  1.3149000000e-03  2.4053000000e-03
+
+JOB 38
+COORDS -7.5040500000e-01  2.4489000000e-02  1.3681490000e+00 -9.0821800000e-01 -7.7174700000e-01  1.8754310000e+00 -6.2597900000e-01  7.0789900000e-01  2.0267090000e+00  7.9863600000e-01  3.2985000000e-02 -1.4363840000e+00  7.0033900000e-01 -7.3304100000e-01 -2.0018700000e+00  1.0522800000e-01 -6.0373000000e-02 -7.8316000000e-01
+ENERGY -1.526598112314e+02
+FORCES  6.3480000000e-04  6.3110000000e-04  6.3310000000e-03  5.4110000000e-04  3.5525000000e-03 -2.1197000000e-03 -1.1747000000e-03 -3.6262000000e-03 -1.9380000000e-03 -4.3337000000e-03 -2.4332000000e-03  3.6831000000e-03  1.9420000000e-04  2.3636000000e-03  2.3465000000e-03  4.1383000000e-03 -4.8780000000e-04 -8.3030000000e-03
+
+JOB 39
+COORDS  2.6020000000e-03 -1.4514100000e+00  8.1112200000e-01  2.0157600000e-01 -1.3127630000e+00  1.7370910000e+00 -9.8111000000e-02 -5.6960300000e-01  4.5264700000e-01 -5.1113000000e-02  1.3669180000e+00 -8.0020000000e-01  7.6587500000e-01  1.0096240000e+00 -1.1482010000e+00 -1.7614300000e-01  2.1877830000e+00 -1.2764130000e+00
+ENERGY -1.526592565333e+02
+FORCES -1.5120000000e-03  5.9346000000e-03  1.7611000000e-03 -5.2890000000e-04 -6.9320000000e-04 -3.3033000000e-03  3.4940000000e-03 -7.2734000000e-03  2.0968000000e-03  1.4721000000e-03  4.3270000000e-03 -4.9432000000e-03 -4.5056000000e-03  1.1100000000e-03  2.9744000000e-03  1.5804000000e-03 -3.4050000000e-03  1.4142000000e-03
+
+JOB 40
+COORDS  1.5242700000e-01  1.5959200000e-01 -1.6644910000e+00  7.8454000000e-01  8.7335100000e-01 -1.5795640000e+00  3.1702200000e-01 -3.9845400000e-01 -9.0440900000e-01 -1.7119700000e-01 -2.0206700000e-01  1.5720630000e+00 -3.1394500000e-01 -4.3369400000e-01  2.4897800000e+00 -4.8479100000e-01  6.9947100000e-01  1.5005160000e+00
+ENERGY -1.526586151193e+02
+FORCES  3.3942000000e-03 -1.2283000000e-03  5.0932000000e-03 -2.8684000000e-03 -1.9380000000e-03 -2.5740000000e-04 -8.6700000000e-05  2.9507000000e-03 -6.6798000000e-03 -3.0665000000e-03  2.4847000000e-03  4.6312000000e-03  2.9850000000e-04  1.6838000000e-03 -3.7419000000e-03  2.3289000000e-03 -3.9530000000e-03  9.5470000000e-04
+
+JOB 41
+COORDS -9.7577100000e-01  1.0197060000e+00 -7.4535700000e-01 -1.9084510000e+00  8.8165900000e-01 -9.1053200000e-01 -6.0349000000e-01  1.2010880000e+00 -1.6083400000e+00  1.0401740000e+00 -1.0479150000e+00  7.5697100000e-01  1.2499140000e+00 -9.4100400000e-01  1.6847700000e+00  1.8131700000e-01 -6.3749100000e-01  6.5624000000e-01
+ENERGY -1.526590663463e+02
+FORCES -1.3124000000e-03  1.8285000000e-03 -6.4373000000e-03  4.3259000000e-03  1.4520000000e-04  1.0951000000e-03 -2.8378000000e-03 -2.2410000000e-04  3.4770000000e-03 -4.0730000000e-03  4.3420000000e-03  1.3703000000e-03 -9.5380000000e-04 -3.2270000000e-04 -3.2858000000e-03  4.8510000000e-03 -5.7688000000e-03  3.7808000000e-03
+
+JOB 42
+COORDS  1.0435400000e+00 -1.1563020000e+00  6.9935900000e-01  1.5972200000e-01 -1.3797280000e+00  4.0750700000e-01  9.9583100000e-01 -2.2576100000e-01  9.1856200000e-01 -9.6180000000e-01  1.0729600000e+00 -7.0278600000e-01 -1.8834090000e+00  1.2433490000e+00 -8.9730400000e-01 -6.4015700000e-01  1.8927500000e+00 -3.2765600000e-01
+ENERGY -1.526564633749e+02
+FORCES -6.2445000000e-03  4.9291000000e-03 -2.9087000000e-03  3.7751000000e-03 -2.1792000000e-03  2.4120000000e-03  2.2511000000e-03 -2.6819000000e-03  1.0934000000e-03 -2.9833000000e-03  5.2161000000e-03 -7.8570000000e-04  4.1753000000e-03 -9.3390000000e-04  9.3810000000e-04 -9.7380000000e-04 -4.3502000000e-03 -7.4900000000e-04
+
+JOB 43
+COORDS  5.9112800000e-01  1.2844140000e+00 -9.2047300000e-01  9.9049000000e-02  1.6493440000e+00 -1.6559430000e+00  1.0344200000e-01  4.9933500000e-01 -6.7138500000e-01 -4.7608400000e-01 -1.2327440000e+00  9.5360600000e-01 -7.5720300000e-01 -1.8035950000e+00  2.3853000000e-01 -1.2440820000e+00 -1.1623450000e+00  1.5205760000e+00
+ENERGY -1.526573476686e+02
+FORCES -3.7675000000e-03 -3.1978000000e-03  9.6800000000e-04  1.4688000000e-03 -1.8727000000e-03  2.9507000000e-03  2.0815000000e-03  5.1575000000e-03 -6.3708000000e-03 -4.6244000000e-03 -4.1528000000e-03  3.3394000000e-03  1.4520000000e-03  4.9070000000e-03  2.0726000000e-03  3.3896000000e-03 -8.4120000000e-04 -2.9599000000e-03
+
+JOB 44
+COORDS -7.0272900000e-01  1.4210910000e+00  3.6534800000e-01  9.3941000000e-02  1.9384070000e+00  2.4730200000e-01 -1.1882860000e+00  1.8810540000e+00  1.0501100000e+00  6.8149500000e-01 -1.5321220000e+00 -3.6683200000e-01  1.1129100000e+00 -7.2604200000e-01 -8.3374000000e-02  3.4167100000e-01 -1.3287850000e+00 -1.2382710000e+00
+ENERGY -1.526542118274e+02
+FORCES -6.1020000000e-04  4.3187000000e-03  3.4842000000e-03 -2.4737000000e-03 -3.9743000000e-03  7.7500000000e-05  2.2054000000e-03 -1.7002000000e-03 -3.1768000000e-03 -2.7074000000e-03  6.6615000000e-03 -1.2235000000e-03  1.2719000000e-03 -3.5074000000e-03 -1.6629000000e-03  2.3140000000e-03 -1.7982000000e-03  2.5015000000e-03
+
+JOB 45
+COORDS -1.4357040000e+00 -4.3988200000e-01  8.0503700000e-01 -4.8850200000e-01 -4.8494700000e-01  9.3546200000e-01 -1.8067680000e+00 -7.2740600000e-01  1.6392270000e+00  1.3997650000e+00  5.0261500000e-01 -8.0696200000e-01  6.7334500000e-01  2.3113000000e-02 -1.2052380000e+00  2.1649410000e+00  2.5270200000e-01 -1.3249200000e+00
+ENERGY -1.526575034302e+02
+FORCES  2.6413000000e-03 -2.9870000000e-04  5.0820000000e-03 -6.0527000000e-03 -1.5583000000e-03 -1.5379000000e-03  1.6239000000e-03  1.1169000000e-03 -3.1157000000e-03  4.9530000000e-04 -1.6741000000e-03 -5.8113000000e-03  4.6384000000e-03  1.3089000000e-03  3.3754000000e-03 -3.3461000000e-03  1.1053000000e-03  2.0076000000e-03
+
+JOB 46
+COORDS  3.2528700000e-01 -1.7180470000e+00 -4.7514000000e-02  2.2990500000e-01 -7.6605600000e-01 -1.8413000000e-02  9.8756300000e-01 -1.8724000000e+00 -7.2115900000e-01 -2.9556700000e-01  1.6597470000e+00  1.0802700000e-01 -6.3305900000e-01  1.4521420000e+00 -7.6331100000e-01 -1.0164990000e+00  2.1157520000e+00  5.4225000000e-01
+ENERGY -1.526581309443e+02
+FORCES  2.7090000000e-03  4.8738000000e-03 -5.0210000000e-04  1.2830000000e-04 -7.6029000000e-03 -3.2648000000e-03 -2.8469000000e-03  8.1620000000e-04  2.1439000000e-03 -5.8548000000e-03  4.5099000000e-03 -4.6670000000e-04  2.6507000000e-03 -1.1488000000e-03  4.6698000000e-03  3.2137000000e-03 -1.4482000000e-03 -2.5801000000e-03
+
+JOB 47
+COORDS -9.3444600000e-01 -2.6998100000e-01  1.3722290000e+00 -1.6517660000e+00 -2.3173500000e-01  2.0048600000e+00 -3.7419500000e-01  4.7210800000e-01  1.5995040000e+00  9.9636700000e-01  2.2810800000e-01 -1.3877070000e+00  1.1421400000e-01  3.7555200000e-01 -1.0466800000e+00  8.6804500000e-01  6.2711000000e-02 -2.3217350000e+00
+ENERGY -1.526567841323e+02
+FORCES -3.8710000000e-04  2.0753000000e-03  5.8154000000e-03  3.2877000000e-03 -1.7930000000e-04 -2.5453000000e-03 -3.6393000000e-03 -2.8134000000e-03 -2.2564000000e-03 -5.2197000000e-03 -1.7111000000e-03 -1.6662000000e-03  5.4870000000e-03  1.9406000000e-03 -2.8187000000e-03  4.7140000000e-04  6.8800000000e-04  3.4711000000e-03
+
+JOB 48
+COORDS  8.4166300000e-01 -1.4605510000e+00 -1.6463500000e-01  1.3059030000e+00 -1.6553710000e+00 -9.7873400000e-01  1.5267310000e+00 -1.1751470000e+00  4.3989700000e-01 -8.5662300000e-01  1.5073630000e+00  1.5723500000e-01 -7.3905300000e-01  5.6134600000e-01  7.0865000000e-02 -1.7254800000e+00  1.6066760000e+00  5.4641000000e-01
+ENERGY -1.526594111302e+02
+FORCES  6.7570000000e-03 -9.9360000000e-04 -1.4979000000e-03 -1.6864000000e-03  5.2290000000e-04  3.7977000000e-03 -3.3212000000e-03 -1.4715000000e-03 -2.8231000000e-03 -2.0324000000e-03 -5.1429000000e-03  3.9020000000e-04 -2.9537000000e-03  7.6274000000e-03  1.5125000000e-03  3.2367000000e-03 -5.4230000000e-04 -1.3794000000e-03
+
+JOB 49
+COORDS -3.8895700000e-01 -1.4142910000e+00 -1.0184310000e+00  1.2683400000e-01 -8.9221800000e-01 -4.0391400000e-01 -6.9522700000e-01 -7.8409700000e-01 -1.6705710000e+00  4.1162400000e-01  1.3388360000e+00  9.5877700000e-01 -5.1394800000e-01  1.5373370000e+00  1.1007120000e+00  7.9369200000e-01  1.3355530000e+00  1.8364130000e+00
+ENERGY -1.526588641066e+02
+FORCES  2.3730000000e-03  6.4126000000e-03  7.8870000000e-04 -3.0071000000e-03 -5.6824000000e-03 -3.8498000000e-03  2.7730000000e-04 -2.6315000000e-03  2.0885000000e-03 -2.0546000000e-03  3.0793000000e-03  5.8517000000e-03  4.3600000000e-03 -1.1561000000e-03 -9.9080000000e-04 -1.9486000000e-03 -2.1900000000e-05 -3.8883000000e-03
+
+JOB 50
+COORDS  6.9362700000e-01 -1.6366170000e+00  2.6229200000e-01  5.6190900000e-01 -7.4634600000e-01  5.8833000000e-01 -1.5774400000e-01 -2.0604010000e+00  3.7095000000e-01 -6.0339500000e-01  1.6579380000e+00 -2.5955300000e-01 -4.8248500000e-01  7.3044500000e-01 -4.6294500000e-01 -1.5178400000e+00  1.8348150000e+00 -4.8031800000e-01
+ENERGY -1.526544498739e+02
+FORCES -2.3261000000e-03  1.8640000000e-04  4.6306000000e-03 -1.5255000000e-03 -3.4899000000e-03 -5.4037000000e-03  3.5657000000e-03  2.6575000000e-03 -1.3605000000e-03 -3.9671000000e-03 -1.9787000000e-03 -3.9019000000e-03  2.5110000000e-04  3.4664000000e-03  5.0453000000e-03  4.0020000000e-03 -8.4170000000e-04  9.9010000000e-04
+
+JOB 51
+COORDS -1.6692700000e-01 -1.2417060000e+00 -1.2511240000e+00 -7.0282000000e-01 -5.6823000000e-01 -8.3221900000e-01 -7.3426400000e-01 -2.0118100000e+00 -1.2871720000e+00  1.7510100000e-01  1.2033020000e+00  1.2157810000e+00  1.0743700000e-01  2.1571470000e+00  1.2585970000e+00  1.0811090000e+00  1.0157280000e+00  1.4611340000e+00
+ENERGY -1.526574291800e+02
+FORCES -4.2745000000e-03  1.2307000000e-03  2.9358000000e-03  8.2250000000e-04 -4.8519000000e-03 -4.4586000000e-03  2.1525000000e-03  2.9278000000e-03  2.1710000000e-04  5.0432000000e-03  3.0153000000e-03  1.8025000000e-03  2.1130000000e-04 -4.0512000000e-03 -2.5640000000e-04 -3.9549000000e-03  1.7292000000e-03 -2.4030000000e-04
+
+JOB 52
+COORDS  1.0930940000e+00  1.3206840000e+00 -8.9488000000e-02  1.6667760000e+00  1.7463490000e+00  5.4763800000e-01  6.7611500000e-01  2.0439180000e+00 -5.5777600000e-01 -1.1538490000e+00 -1.3656220000e+00  9.8056000000e-02 -2.9129800000e-01 -1.0601040000e+00  3.7894100000e-01 -9.6903900000e-01 -2.0190730000e+00 -5.7653900000e-01
+ENERGY -1.526574609708e+02
+FORCES -1.5220000000e-04  6.2528000000e-03 -2.0910000000e-04 -2.5166000000e-03 -2.0421000000e-03 -2.6206000000e-03  2.7230000000e-03 -2.4593000000e-03  2.0436000000e-03  5.6976000000e-03  6.7000000000e-04 -1.6993000000e-03 -4.8277000000e-03 -4.6776000000e-03  6.1600000000e-05 -9.2410000000e-04  2.2563000000e-03  2.4238000000e-03
+
+JOB 53
+COORDS -2.9802000000e-01 -1.5817220000e+00  6.0083600000e-01 -3.2455100000e-01 -2.5380070000e+00  5.6850700000e-01 -9.8609200000e-01 -1.3434190000e+00  1.2221250000e+00  3.9242800000e-01  1.6558970000e+00 -6.4570600000e-01  3.0815800000e-01  7.7993300000e-01 -2.6911800000e-01 -5.0526200000e-01  1.9152000000e+00 -8.5342200000e-01
+ENERGY -1.526582158054e+02
+FORCES -2.3639000000e-03 -5.8932000000e-03  2.5599000000e-03 -5.6870000000e-04  3.9569000000e-03  8.5990000000e-04  3.0514000000e-03 -2.9680000000e-04 -3.3851000000e-03 -3.3819000000e-03 -4.8135000000e-03  5.0540000000e-04  1.6690000000e-04  7.6553000000e-03 -1.5805000000e-03  3.0963000000e-03 -6.0870000000e-04  1.0404000000e-03
+
+JOB 54
+COORDS  1.8535600000e-01  1.1986900000e-01  1.7546980000e+00  2.5407400000e-01 -7.8733200000e-01  1.4572160000e+00  9.3627700000e-01  2.3929800000e-01  2.3361500000e+00 -2.8740600000e-01 -7.1741000000e-02 -1.7473760000e+00 -5.0286000000e-02 -5.7319700000e-01 -2.5274710000e+00  5.4727100000e-01  2.4751000000e-01 -1.4044130000e+00
+ENERGY -1.526549804366e+02
+FORCES  1.5866000000e-03 -4.0704000000e-03  1.8849000000e-03  1.0436000000e-03  4.1358000000e-03  1.9297000000e-03 -2.9428000000e-03 -3.5400000000e-04 -3.0738000000e-03  4.1902000000e-03  1.0451000000e-03 -1.4673000000e-03 -9.2470000000e-04  1.8199000000e-03  3.6632000000e-03 -2.9529000000e-03 -2.5764000000e-03 -2.9367000000e-03
+
+JOB 55
+COORDS  1.4698570000e+00 -2.0267600000e-01  1.1159270000e+00  1.3931120000e+00  2.7114900000e-01  2.8777700000e-01  6.0545200000e-01 -1.2265100000e-01  1.5192020000e+00 -1.4165130000e+00  2.1343100000e-01 -1.0452040000e+00 -9.1565700000e-01  1.9943600000e-01 -1.8607900000e+00 -1.9599230000e+00 -5.7362200000e-01 -1.0837520000e+00
+ENERGY -1.526566322189e+02
+FORCES -6.2104000000e-03  2.8548000000e-03 -2.6560000000e-03  2.5978000000e-03 -1.7729000000e-03  2.5997000000e-03  4.3376000000e-03 -9.4720000000e-04  3.2500000000e-04 -1.5119000000e-03 -4.0467000000e-03 -4.4538000000e-03 -1.4061000000e-03  3.3630000000e-04  4.0275000000e-03  2.1932000000e-03  3.5757000000e-03  1.5760000000e-04
+
+JOB 56
+COORDS -7.6029100000e-01  1.8396600000e-01 -1.6334680000e+00 -2.7096800000e-01  1.0011620000e+00 -1.5386740000e+00 -1.1810900000e-01 -4.4307700000e-01 -1.9661110000e+00  7.7135000000e-01 -1.9467100000e-01  1.6382780000e+00  9.9970000000e-02 -4.6300000000e-01  1.0109970000e+00  2.7920600000e-01  1.2693500000e-01  2.3936560000e+00
+ENERGY -1.526578546248e+02
+FORCES  4.8515000000e-03  2.1265000000e-03 -3.5776000000e-03 -2.6409000000e-03 -3.8809000000e-03 -3.7130000000e-04 -3.0818000000e-03  2.4245000000e-03  2.3382000000e-03 -5.8023000000e-03 -7.0500000000e-05  3.8200000000e-05  4.6667000000e-03  4.9450000000e-04  4.4592000000e-03  2.0067000000e-03 -1.0940000000e-03 -2.8866000000e-03
+
+JOB 57
+COORDS -6.8642500000e-01  1.7342710000e+00 -1.1752200000e-01 -1.0810860000e+00  1.3278360000e+00  6.5402500000e-01 -9.4068400000e-01  1.1660470000e+00 -8.4464300000e-01  7.4937200000e-01 -1.6448730000e+00  6.1636000000e-02  6.3347700000e-01 -2.5911620000e+00  1.4729200000e-01  4.0012300000e-01 -1.2855230000e+00  8.7718800000e-01
+ENERGY -1.526542531593e+02
+FORCES -2.1109000000e-03 -4.5664000000e-03 -1.2262000000e-03  2.0975000000e-03  1.0929000000e-03 -2.3382000000e-03 -4.2500000000e-05  3.4938000000e-03  3.2478000000e-03 -4.0420000000e-04 -2.5199000000e-03  4.2766000000e-03  2.8610000000e-04  4.2683000000e-03 -4.6820000000e-04  1.7390000000e-04 -1.7688000000e-03 -3.4918000000e-03
+
+JOB 58
+COORDS -1.1279540000e+00 -4.1268500000e-01 -1.4787340000e+00 -2.7742200000e-01 -6.0280200000e-01 -1.8745650000e+00 -1.0169870000e+00  4.4709700000e-01 -1.0729100000e+00  1.1259680000e+00  4.1822400000e-01  1.4641530000e+00  7.5299700000e-01  1.8830100000e-01  2.3151880000e+00  6.4947000000e-01 -1.2697600000e-01  8.3810400000e-01
+ENERGY -1.526561694530e+02
+FORCES  2.4883000000e-03  3.9464000000e-03 -2.9881000000e-03 -3.6248000000e-03  4.7950000000e-04  3.1250000000e-03  4.6600000000e-05 -5.4164000000e-03 -7.4430000000e-04 -3.5170000000e-03 -4.2813000000e-03  1.9751000000e-03  1.6653000000e-03  1.1509000000e-03 -3.4528000000e-03  2.9416000000e-03  4.1210000000e-03  2.0850000000e-03
+
+JOB 59
+COORDS -2.8682300000e-01  1.6089610000e+00 -9.6812600000e-01 -5.3591100000e-01  1.5325730000e+00 -4.7066000000e-02 -8.7273500000e-01  2.2789070000e+00 -1.3204200000e+00  2.7382600000e-01 -1.6749920000e+00  9.6412000000e-01  8.7929900000e-01 -1.1301090000e+00  1.4668500000e+00  5.6279000000e-01 -1.5802780000e+00  5.6507000000e-02
+ENERGY -1.526560770332e+02
+FORCES -4.3710000000e-03  2.5530000000e-03  2.2166000000e-03  1.9006000000e-03  1.0909000000e-03 -3.9716000000e-03  2.3706000000e-03 -2.6481000000e-03  1.5719000000e-03  4.2387000000e-03  1.9483000000e-03 -2.8098000000e-03 -3.0873000000e-03 -1.6971000000e-03 -1.6601000000e-03 -1.0517000000e-03 -1.2470000000e-03  4.6530000000e-03
+
+JOB 60
+COORDS -9.9111300000e-01  1.5226860000e+00 -3.9859900000e-01 -1.0203700000e+00  1.5822930000e+00 -1.3534940000e+00 -9.0870100000e-01  2.4296680000e+00 -1.0394100000e-01  9.9895000000e-01 -1.6417210000e+00  4.0069800000e-01  1.6213610000e+00 -1.2549750000e+00  1.0165420000e+00  2.4934800000e-01 -1.0465640000e+00  4.1153000000e-01
+ENERGY -1.526575087416e+02
+FORCES -2.3740000000e-04  5.1466000000e-03 -3.4512000000e-03 -2.2900000000e-05  1.8800000000e-05  4.2524000000e-03 -3.1710000000e-04 -3.7366000000e-03 -1.3987000000e-03 -1.5226000000e-03  5.4644000000e-03  2.2208000000e-03 -1.8967000000e-03 -1.8117000000e-03 -2.1147000000e-03  3.9966000000e-03 -5.0816000000e-03  4.9140000000e-04
+
+JOB 61
+COORDS  9.2717100000e-01  1.5332960000e+00  7.3153800000e-01  1.7121520000e+00  9.9685200000e-01  8.4228600000e-01  1.1342320000e+00  2.1132160000e+00 -1.2990000000e-03 -9.8524600000e-01 -1.4755100000e+00 -7.3196500000e-01 -1.3837840000e+00 -2.3137610000e+00 -9.6591700000e-01 -5.5990900000e-01 -1.6386460000e+00  1.0988300000e-01
+ENERGY -1.526540395074e+02
+FORCES  3.5603000000e-03  6.2430000000e-04 -3.8800000000e-03 -3.4431000000e-03  1.6168000000e-03  3.8000000000e-06 -3.3330000000e-04 -1.8913000000e-03  3.4551000000e-03 -4.3400000000e-05 -3.2136000000e-03  3.3936000000e-03  1.6953000000e-03  3.5775000000e-03  8.5810000000e-04 -1.4357000000e-03 -7.1380000000e-04 -3.8306000000e-03
+
+JOB 62
+COORDS -1.4771700000e+00 -4.1546400000e-01 -1.3648200000e+00 -1.6811920000e+00 -1.3455150000e+00 -1.4628600000e+00 -5.7875200000e-01 -4.0033200000e-01 -1.0349000000e+00  1.3813520000e+00  4.4581800000e-01  1.3499070000e+00  1.8385470000e+00  7.8531800000e-01  5.8052800000e-01  1.9513230000e+00  6.6920100000e-01  2.0857500000e+00
+ENERGY -1.526549987880e+02
+FORCES  2.9746000000e-03 -3.7939000000e-03  2.5612000000e-03  6.4650000000e-04  3.6506000000e-03  3.7000000000e-05 -3.4065000000e-03  1.6800000000e-04 -3.4457000000e-03  4.6050000000e-03  3.1704000000e-03  1.4845000000e-03 -2.6481000000e-03 -2.3366000000e-03  2.5489000000e-03 -2.1716000000e-03 -8.5850000000e-04 -3.1859000000e-03
+
+JOB 63
+COORDS  1.9237610000e+00 -7.3442500000e-01  8.8920000000e-03  2.4198050000e+00 -3.2415700000e-01 -6.9952400000e-01  1.6629440000e+00 -5.9630000000e-03  5.7240800000e-01 -1.9520720000e+00  6.5248800000e-01 -5.8291000000e-02 -1.8997010000e+00  1.5731340000e+00  1.9842100000e-01 -1.7005020000e+00  1.6921100000e-01  7.2872000000e-01
+ENERGY -1.526536639994e+02
+FORCES  4.5750000000e-04  4.9399000000e-03 -1.7751000000e-03 -1.5404000000e-03 -1.7007000000e-03  3.1522000000e-03  9.5960000000e-04 -3.0887000000e-03 -1.4084000000e-03  6.1530000000e-04  8.2380000000e-04  4.0468000000e-03  4.1880000000e-04 -3.8275000000e-03 -1.0782000000e-03 -9.1090000000e-04  2.8532000000e-03 -2.9373000000e-03
+
+JOB 64
+COORDS -1.4365720000e+00 -6.5149000000e-02 -1.6399070000e+00 -9.0587200000e-01 -3.2697000000e-01 -8.8755200000e-01 -9.8990300000e-01  7.0454400000e-01 -1.9924550000e+00  1.4195350000e+00  1.9208000000e-02  1.6679470000e+00  1.4080730000e+00 -4.0940700000e-01  8.1214900000e-01  6.8700900000e-01  6.3462400000e-01  1.6379570000e+00
+ENERGY -1.526526753069e+02
+FORCES  3.2841000000e-03  1.9772000000e-03  8.2990000000e-04 -1.2330000000e-03  1.5734000000e-03 -2.7507000000e-03 -1.7370000000e-03 -3.4930000000e-03  2.0343000000e-03 -2.0790000000e-03  9.0230000000e-04 -2.4963000000e-03 -1.3389000000e-03  2.2605000000e-03  3.2147000000e-03  3.1037000000e-03 -3.2204000000e-03 -8.3190000000e-04
+
+JOB 65
+COORDS -6.5936100000e-01  1.3721960000e+00 -1.4645830000e+00 -1.3102800000e+00  2.0735330000e+00 -1.4388500000e+00 -1.1716010000e+00  5.6665800000e-01 -1.3942150000e+00  7.7077700000e-01 -1.3591620000e+00  1.4098730000e+00  3.7453000000e-02 -7.8535700000e-01  1.6317200000e+00  6.8878700000e-01 -2.0976100000e+00  2.0133660000e+00
+ENERGY -1.526538725055e+02
+FORCES -4.3215000000e-03 -7.5210000000e-04 -5.1450000000e-04  2.7364000000e-03 -2.9930000000e-03  1.9660000000e-04  1.6287000000e-03  3.8252000000e-03  2.1670000000e-04 -2.7669000000e-03 -2.3000000000e-06  3.6054000000e-03  2.4501000000e-03 -3.1475000000e-03 -8.8300000000e-04  2.7310000000e-04  3.0696000000e-03 -2.6213000000e-03
+
+JOB 66
+COORDS -1.8788360000e+00 -9.3494900000e-01  6.8262000000e-01 -2.4162120000e+00 -6.0832800000e-01 -3.9029000000e-02 -1.6990990000e+00 -1.6151800000e-01  1.2171570000e+00  1.8507810000e+00  8.9919200000e-01 -7.1272700000e-01  2.7399100000e+00  1.2242930000e+00 -5.7134100000e-01  1.7797790000e+00  1.3690600000e-01 -1.3817400000e-01
+ENERGY -1.526552922635e+02
+FORCES -1.8896000000e-03  4.9603000000e-03 -1.3499000000e-03  1.8328000000e-03 -1.5646000000e-03  3.2001000000e-03 -4.9650000000e-04 -3.5567000000e-03 -1.8376000000e-03  3.3588000000e-03 -2.4805000000e-03  2.6284000000e-03 -3.6600000000e-03 -1.2768000000e-03 -4.9670000000e-04  8.5460000000e-04  3.9184000000e-03 -2.1444000000e-03
+
+JOB 67
+COORDS  2.0118720000e+00 -7.3271100000e-01  7.2280900000e-01  1.2610050000e+00 -1.1194180000e+00  1.1732400000e+00  1.8677320000e+00  2.1164000000e-01  7.8328900000e-01 -2.0229640000e+00  7.3684900000e-01 -7.3369800000e-01 -1.5908910000e+00  5.9510000000e-02 -2.1335400000e-01 -1.4787970000e+00  8.2168700000e-01 -1.5165870000e+00
+ENERGY -1.526541743213e+02
+FORCES -2.3890000000e-03  2.3631000000e-03  3.1843000000e-03  2.4176000000e-03  1.8216000000e-03 -2.7124000000e-03  1.8280000000e-04 -4.3837000000e-03 -7.2930000000e-04  3.7058000000e-03 -2.8261000000e-03 -2.0092000000e-03 -1.5343000000e-03  3.0570000000e-03 -1.2467000000e-03 -2.3830000000e-03 -3.1900000000e-05  3.5132000000e-03
+
+JOB 68
+COORDS  1.2304520000e+00  1.2538800000e+00 -1.4667260000e+00  3.9745900000e-01  1.5695680000e+00 -1.8170070000e+00  1.1395620000e+00  1.3394110000e+00 -5.1769700000e-01 -1.1758820000e+00 -1.2851870000e+00  1.5007060000e+00 -5.3811800000e-01 -1.6419310000e+00  8.8246400000e-01 -1.7990410000e+00 -8.0711800000e-01  9.5357300000e-01
+ENERGY -1.526547733419e+02
+FORCES -3.1354000000e-03  2.6809000000e-03  2.4964000000e-03  3.2025000000e-03 -1.7681000000e-03  1.5465000000e-03  1.5270000000e-04 -7.9300000000e-04 -4.4578000000e-03 -2.0950000000e-04 -6.2900000000e-04 -4.8815000000e-03 -2.7908000000e-03  1.8966000000e-03  2.9796000000e-03  2.7806000000e-03 -1.3874000000e-03  2.3168000000e-03
+
+JOB 69
+COORDS -1.6939380000e+00  7.8735100000e-01  1.3625560000e+00 -2.0380980000e+00 -2.0645000000e-02  9.8186100000e-01 -1.0997250000e+00  4.9326400000e-01  2.0529590000e+00  1.6783410000e+00 -7.8219600000e-01 -1.3648980000e+00  1.8867590000e+00  3.0700000000e-04 -8.5452300000e-01  1.4409700000e+00 -4.4829200000e-01 -2.2299960000e+00
+ENERGY -1.526550781904e+02
+FORCES  8.9620000000e-04 -5.1333000000e-03  1.1658000000e-03  1.0182000000e-03  3.5826000000e-03  1.7447000000e-03 -2.2538000000e-03  1.5550000000e-03 -2.7404000000e-03 -2.7110000000e-04  5.0986000000e-03 -1.6037000000e-03 -4.5120000000e-04 -3.5438000000e-03 -1.9637000000e-03  1.0617000000e-03 -1.5591000000e-03  3.3973000000e-03
+
+JOB 70
+COORDS -1.4993650000e+00 -1.7079390000e+00 -5.6007300000e-01 -1.5361270000e+00 -1.4139910000e+00  3.5013400000e-01 -1.7235640000e+00 -9.3108600000e-01 -1.0723870000e+00  1.4686020000e+00  1.6009640000e+00  5.4866400000e-01  1.5162120000e+00  2.2248130000e+00 -1.7575200000e-01  2.1721090000e+00  1.8667070000e+00  1.1408560000e+00
+ENERGY -1.526546308519e+02
+FORCES  5.6600000000e-05  5.1223000000e-03  2.0880000000e-03 -6.9190000000e-04 -1.8097000000e-03 -3.6006000000e-03  3.4660000000e-04 -3.2921000000e-03  1.5540000000e-03  3.7520000000e-03  3.4744000000e-03 -6.2820000000e-04 -4.8670000000e-04 -2.5037000000e-03  3.0049000000e-03 -2.9766000000e-03 -9.9120000000e-04 -2.4181000000e-03
+
+JOB 71
+COORDS -1.7525140000e+00  1.1360340000e+00 -1.0133870000e+00 -1.5089150000e+00  1.6488310000e+00 -2.4271900000e-01 -2.5574680000e+00  1.5460670000e+00 -1.3298580000e+00  1.7552970000e+00 -1.1308120000e+00  9.7846700000e-01  2.2008640000e+00 -1.4646130000e+00  1.7571060000e+00  1.8073650000e+00 -1.8476920000e+00  3.4632500000e-01
+ENERGY -1.526541954705e+02
+FORCES -1.6185000000e-03  3.6421000000e-03  2.4277000000e-03 -1.6755000000e-03 -1.6052000000e-03 -3.4342000000e-03  3.2303000000e-03 -1.7396000000e-03  1.2155000000e-03  1.6825000000e-03 -4.5256000000e-03 -3.3800000000e-05 -1.8486000000e-03  1.4928000000e-03 -3.0862000000e-03  2.2980000000e-04  2.7353000000e-03  2.9110000000e-03
+
+JOB 72
+COORDS  4.6557200000e-01 -1.8384760000e+00 -1.4235020000e+00  1.3731990000e+00 -1.5384510000e+00 -1.3742090000e+00  4.9412000000e-01 -2.7421390000e+00 -1.1091630000e+00 -4.7374400000e-01  1.9231850000e+00  1.3887500000e+00 -1.0737740000e+00  1.5896590000e+00  7.2169900000e-01 -7.6031400000e-01  1.5043270000e+00  2.2003330000e+00
+ENERGY -1.526549644430e+02
+FORCES  4.3087000000e-03 -2.3395000000e-03  1.4159000000e-03 -3.7906000000e-03 -1.5696000000e-03 -3.8170000000e-04 -2.3360000000e-04  3.6874000000e-03 -1.2020000000e-03 -3.7215000000e-03 -3.5789000000e-03  4.0400000000e-05  2.2260000000e-03  2.0094000000e-03  3.1511000000e-03  1.2110000000e-03  1.7912000000e-03 -3.0236000000e-03
+
+JOB 73
+COORDS -6.2216600000e-01 -2.3334980000e+00  1.2685300000e-01  1.0803300000e-01 -1.7271920000e+00  2.6240000000e-03 -2.1504200000e-01 -3.1356660000e+00  4.5397500000e-01  5.8923700000e-01  2.3022530000e+00 -1.2189900000e-01  4.9219200000e-01  2.5982020000e+00 -1.0270110000e+00  7.1913000000e-02  2.9235680000e+00  3.9052100000e-01
+ENERGY -1.526551743805e+02
+FORCES  4.8163000000e-03  1.4700000000e-05  9.4440000000e-04 -3.0452000000e-03 -3.6120000000e-03  2.8810000000e-04 -1.6620000000e-03  3.0995000000e-03 -1.3054000000e-03 -2.9602000000e-03  4.1478000000e-03 -1.4548000000e-03  5.5180000000e-04 -1.2913000000e-03  3.7198000000e-03  2.2993000000e-03 -2.3586000000e-03 -2.1920000000e-03
+
+JOB 74
+COORDS  2.0553100000e+00  1.3725650000e+00  8.9202000000e-02  1.8795890000e+00  7.2829700000e-01 -5.9656200000e-01  1.9580180000e+00  8.8501200000e-01  9.0716100000e-01 -2.0276450000e+00 -1.2799300000e+00 -2.5220000000e-02 -1.3666440000e+00 -1.4959990000e+00 -6.8296300000e-01 -2.8633390000e+00 -1.4489450000e+00 -4.6028400000e-01
+ENERGY -1.526538861001e+02
+FORCES -1.6690000000e-03 -4.5008000000e-03  1.0233000000e-03  7.6350000000e-04  2.3656000000e-03  2.4298000000e-03  9.0010000000e-04  1.9728000000e-03 -3.5247000000e-03 -1.4608000000e-03 -1.4575000000e-03 -4.5867000000e-03 -2.0615000000e-03  1.0214000000e-03  2.8746000000e-03  3.5278000000e-03  5.9850000000e-04  1.7837000000e-03
+
+JOB 75
+COORDS -2.4656780000e+00  5.4780600000e-01 -1.6383200000e-01 -1.5282630000e+00  3.5694400000e-01 -1.3132200000e-01 -2.7377640000e+00  2.6625700000e-01 -1.0372910000e+00  2.4649780000e+00 -5.3275700000e-01  2.6903200000e-01  2.6379190000e+00  9.0741000000e-02 -4.3635700000e-01  1.6730670000e+00 -9.9405900000e-01 -7.2110000000e-03
+ENERGY -1.526532511485e+02
+FORCES  2.3569000000e-03 -1.6194000000e-03 -3.1484000000e-03 -3.6179000000e-03  3.0940000000e-04 -6.3210000000e-04  1.4179000000e-03  1.0980000000e-03  3.6559000000e-03 -1.5375000000e-03  3.3160000000e-04 -3.9268000000e-03 -1.1855000000e-03 -2.6889000000e-03  2.9888000000e-03  2.5661000000e-03  2.5694000000e-03  1.0626000000e-03
+
+JOB 76
+COORDS  1.5161600000e-01 -2.6616220000e+00 -2.4965500000e-01  3.7665500000e-01 -1.7581810000e+00 -2.7430000000e-02 -3.6416000000e-01 -2.9706180000e+00  4.9514600000e-01 -1.5176700000e-01  2.6257160000e+00  2.6417400000e-01  7.3259100000e-01  2.6621620000e+00 -1.0026400000e-01 -7.2753200000e-01  2.6518270000e+00 -5.0005400000e-01
+ENERGY -1.526548820749e+02
+FORCES -1.3283000000e-03  2.6234000000e-03  4.2920000000e-03 -6.4950000000e-04 -3.9727000000e-03 -1.3249000000e-03  2.0853000000e-03  1.0494000000e-03 -3.0833000000e-03  1.1009000000e-03  1.2176000000e-03 -4.7869000000e-03 -3.6887000000e-03 -5.9660000000e-04  1.6221000000e-03  2.4804000000e-03 -3.2110000000e-04  3.2811000000e-03
+
+JOB 77
+COORDS -9.5968000000e-01  2.1487710000e+00 -1.3589420000e+00 -1.9084140000e+00  2.0223070000e+00 -1.3708190000e+00 -6.3198100000e-01  1.4532680000e+00 -7.8874700000e-01  1.0143850000e+00 -2.0660830000e+00  1.2757730000e+00  1.4720180000e+00 -2.8145740000e+00  1.6586110000e+00  2.1065900000e-01 -1.9877200000e+00  1.7896950000e+00
+ENERGY -1.526544785600e+02
+FORCES -2.0103000000e-03 -3.6989000000e-03  2.1740000000e-03  3.7246000000e-03  5.5220000000e-04  1.3470000000e-04 -1.9550000000e-03  3.2839000000e-03 -2.2519000000e-03 -8.3770000000e-04 -3.2763000000e-03  3.8686000000e-03 -2.0115000000e-03  3.0629000000e-03 -1.4936000000e-03  3.0899000000e-03  7.6200000000e-05 -2.4317000000e-03
+
+JOB 78
+COORDS  9.7046000000e-01 -1.1710180000e+00  2.4798330000e+00  8.4402500000e-01 -6.3653900000e-01  1.6958820000e+00  9.9257800000e-01 -2.0713190000e+00  2.1554850000e+00 -9.2805200000e-01  1.2500490000e+00 -2.3974920000e+00 -1.1805480000e+00  5.4862700000e-01 -1.7970890000e+00 -1.2691130000e+00  9.7254000000e-01 -3.2477260000e+00
+ENERGY -1.526538756742e+02
+FORCES  2.7300000000e-05 -1.2907000000e-03 -4.3850000000e-03  9.3000000000e-05 -2.4915000000e-03  3.1347000000e-03 -2.8540000000e-04  3.7104000000e-03  1.2338000000e-03 -2.8504000000e-03 -3.7135000000e-03 -1.4477000000e-03  1.5599000000e-03  2.6982000000e-03 -2.1152000000e-03  1.4557000000e-03  1.0872000000e-03  3.5795000000e-03
+
+JOB 79
+COORDS  2.8271600000e+00  1.1302000000e-01  5.0251100000e-01  3.4634420000e+00  4.0639900000e-01 -1.4964400000e-01  2.3110970000e+00  8.9397300000e-01  7.0256900000e-01 -2.8066320000e+00 -1.2040200000e-01 -4.4648300000e-01 -2.6808000000e+00 -3.8445100000e-01 -1.3578980000e+00 -3.3925920000e+00 -7.8430000000e-01 -8.2998000000e-02
+ENERGY -1.526542966278e+02
+FORCES  3.6300000000e-05  4.4685000000e-03 -1.7280000000e-03 -2.5236000000e-03 -1.2527000000e-03  2.5768000000e-03  2.5514000000e-03 -3.1083000000e-03 -8.1190000000e-04 -1.6800000000e-03 -4.1196000000e-03 -2.1451000000e-03 -6.3720000000e-04  1.2332000000e-03  3.6333000000e-03  2.2531000000e-03  2.7790000000e-03 -1.5250000000e-03
+
+JOB 80
+COORDS  6.5046400000e-01 -2.2567510000e+00 -1.5763310000e+00  8.8602500000e-01 -1.9679540000e+00 -2.4579990000e+00  4.2082800000e-01 -3.1802380000e+00 -1.6796320000e+00 -6.7292000000e-01  2.3239050000e+00  1.6737200000e+00  2.1714200000e-01  2.2403410000e+00  1.3316110000e+00 -1.1936950000e+00  1.7273360000e+00  1.1360120000e+00
+ENERGY -1.526547938878e+02
+FORCES  1.4790000000e-04 -3.0551000000e-03 -4.0772000000e-03 -1.0264000000e-03 -1.0086000000e-03  3.7008000000e-03  9.3290000000e-04  3.8415000000e-03  3.4290000000e-04  1.6613000000e-03 -3.3544000000e-03 -3.6653000000e-03 -3.5405000000e-03  7.6280000000e-04  1.4454000000e-03  1.8248000000e-03  2.8137000000e-03  2.2534000000e-03
+
+JOB 81
+COORDS -2.7519930000e+00 -3.2950700000e-01  9.5254400000e-01 -3.1231590000e+00  5.1700600000e-01  7.0377800000e-01 -3.1762680000e+00 -5.4265500000e-01  1.7836820000e+00  2.8200020000e+00  3.0527300000e-01 -1.0423880000e+00  1.9453550000e+00 -3.7495000000e-02 -8.5871800000e-01  3.2066050000e+00  4.5156800000e-01 -1.7904200000e-01
+ENERGY -1.526547796245e+02
+FORCES -3.6970000000e-03  2.5193000000e-03  2.3686000000e-03  1.6625000000e-03 -3.4838000000e-03  1.0748000000e-03  1.8134000000e-03  9.2090000000e-04 -3.3890000000e-03 -2.3484000000e-03 -1.0027000000e-03  4.3264000000e-03  3.9544000000e-03  1.5437000000e-03 -9.0440000000e-04 -1.3848000000e-03 -4.9730000000e-04 -3.4764000000e-03
+
+JOB 82
+COORDS  2.2872600000e-01 -2.6048530000e+00  1.5787580000e+00 -4.7197100000e-01 -1.9576570000e+00  1.4988060000e+00  5.4182000000e-02 -3.2351130000e+00  8.7980200000e-01 -2.4528400000e-01  2.6247040000e+00 -1.5335650000e+00  4.2446000000e-02  1.7133460000e+00 -1.4800050000e+00  5.5364900000e-01  3.1180790000e+00 -1.7193580000e+00
+ENERGY -1.526542402496e+02
+FORCES -3.8463000000e-03 -2.0670000000e-04 -2.7668000000e-03  3.1166000000e-03 -2.5912000000e-03  5.1800000000e-05  8.2280000000e-04  2.7431000000e-03  2.7401000000e-03  4.7231000000e-03 -1.5028000000e-03 -5.4330000000e-04 -1.4923000000e-03  3.5670000000e-03 -1.8000000000e-04 -3.3238000000e-03 -2.0095000000e-03  6.9820000000e-04
+
+JOB 83
+COORDS -1.9439920000e+00  1.9910530000e+00  1.4110840000e+00 -2.7042930000e+00  1.4718130000e+00  1.6729310000e+00 -2.2637620000e+00  2.5410170000e+00  6.9587900000e-01  2.0033570000e+00 -1.9949600000e+00 -1.4468970000e+00  2.6414350000e+00 -1.5734200000e+00 -8.7123000000e-01  1.3504920000e+00 -2.3639870000e+00 -8.5207000000e-01
+ENERGY -1.526543632438e+02
+FORCES -4.4768000000e-03  3.1770000000e-04 -2.0087000000e-03  3.1743000000e-03  2.0083000000e-03 -1.0304000000e-03  1.2565000000e-03 -2.2431000000e-03  3.0197000000e-03 -1.9040000000e-04  5.5640000000e-04  4.9847000000e-03 -2.4214000000e-03 -1.8765000000e-03 -2.4385000000e-03  2.6579000000e-03  1.2372000000e-03 -2.5268000000e-03
+
+JOB 84
+COORDS  6.5233000000e-02  3.1355150000e+00  9.7674700000e-01  1.3247100000e-01  3.1174390000e+00  2.2082000000e-02 -8.7582700000e-01  3.1546840000e+00  1.1507290000e+00  3.0375000000e-02 -3.0889720000e+00 -9.1763900000e-01 -7.6735900000e-01 -3.3143550000e+00 -4.3904200000e-01  2.1442000000e-02 -3.6636040000e+00 -1.6831130000e+00
+ENERGY -1.526539768652e+02
+FORCES -3.4215000000e-03 -3.6970000000e-04 -3.3225000000e-03 -3.5290000000e-04  3.5330000000e-04  3.9074000000e-03  3.7538000000e-03  1.4800000000e-05 -6.3850000000e-04 -3.1751000000e-03 -3.3687000000e-03 -9.8720000000e-04  3.1865000000e-03  9.5440000000e-04 -2.0497000000e-03  9.1000000000e-06  2.4160000000e-03  3.0905000000e-03
+
+JOB 85
+COORDS  1.0295440000e+00 -1.1522040000e+00  3.0492970000e+00  5.1744700000e-01 -5.5691400000e-01  3.5966720000e+00  1.9236360000e+00 -1.0751580000e+00  3.3823070000e+00 -1.0368450000e+00  1.0578940000e+00 -3.1233880000e+00 -6.5962500000e-01  1.4807910000e+00 -2.3519640000e+00 -1.7070450000e+00  1.6693510000e+00 -3.4286500000e+00
+ENERGY -1.526539640501e+02
+FORCES  1.5899000000e-03  2.5247000000e-03  3.6631000000e-03  2.0884000000e-03 -2.3301000000e-03 -2.3194000000e-03 -3.6820000000e-03 -2.4310000000e-04 -1.3742000000e-03 -1.1221000000e-03  4.0173000000e-03  2.1075000000e-03 -1.5918000000e-03 -1.5082000000e-03 -3.2948000000e-03  2.7175000000e-03 -2.4607000000e-03  1.2178000000e-03
+
+JOB 86
+COORDS  1.0205600000e+00  1.5669830000e+00 -3.4100210000e+00  3.2050500000e-01  1.8474080000e+00 -3.9995260000e+00  1.8248600000e+00  1.8700610000e+00 -3.8313020000e+00 -1.0640200000e+00 -1.6570680000e+00  3.4767430000e+00 -1.3265620000e+00 -7.4139900000e-01  3.3826440000e+00 -1.0758900000e-01 -1.6370770000e+00  3.4439840000e+00
+ENERGY -1.526542178012e+02
+FORCES  3.8570000000e-04  2.3061000000e-03 -4.2381000000e-03  2.8741000000e-03 -1.1003000000e-03  2.4340000000e-03 -3.2692000000e-03 -1.2175000000e-03  1.7666000000e-03  2.8999000000e-03  3.8739000000e-03 -7.9980000000e-04  9.9560000000e-04 -3.7295000000e-03  5.4000000000e-04 -3.8862000000e-03 -1.3270000000e-04  2.9730000000e-04
+
+JOB 87
+COORDS -2.6081190000e+00 -2.0092430000e+00 -2.6606240000e+00 -2.6601860000e+00 -1.0542880000e+00 -2.6208550000e+00 -2.7224200000e+00 -2.2937880000e+00 -1.7538710000e+00  2.6188690000e+00  1.9764780000e+00  2.6752970000e+00  2.2086590000e+00  1.3307510000e+00  2.0999740000e+00  3.0132400000e+00  2.6129770000e+00  2.0789980000e+00
+ENERGY -1.526540290071e+02
+FORCES -8.8500000000e-04  2.6548000000e-03  3.8152000000e-03  3.4070000000e-04 -3.8812000000e-03 -1.2660000000e-04  5.7230000000e-04  1.2192000000e-03 -3.7023000000e-03  1.0720000000e-04 -4.0400000000e-05 -4.7721000000e-03  1.5409000000e-03  2.6478000000e-03  2.3521000000e-03 -1.6761000000e-03 -2.6002000000e-03  2.4336000000e-03
+
+JOB 88
+COORDS -3.1267980000e+00 -3.0547430000e+00 -1.8566640000e+00 -2.5770480000e+00 -2.4599010000e+00 -1.3465950000e+00 -3.5777100000e+00 -2.4877290000e+00 -2.4822870000e+00  3.0767900000e+00  3.0072630000e+00  1.8971980000e+00  3.9485210000e+00  3.3393600000e+00  1.6826570000e+00  3.0592220000e+00  2.1238530000e+00  1.5290800000e+00
+ENERGY -1.526540931242e+02
+FORCES  3.1180000000e-04  4.7707000000e-03 -4.3970000000e-04 -2.1681000000e-03 -2.4539000000e-03 -2.1015000000e-03  1.8686000000e-03 -2.3291000000e-03  2.5354000000e-03  3.5946000000e-03 -2.2174000000e-03 -2.3028000000e-03 -3.5842000000e-03 -1.3643000000e-03  8.5430000000e-04 -2.2700000000e-05  3.5940000000e-03  1.4542000000e-03
+
+JOB 89
+COORDS  3.8371630000e+00 -4.5361420000e+00 -3.9697100000e-01  4.6552830000e+00 -4.8551520000e+00 -1.5994000000e-02  3.8904600000e+00 -3.5837840000e+00 -3.1693400000e-01 -3.8466150000e+00  4.5116880000e+00  3.2371600000e-01 -3.6596810000e+00  4.1547430000e+00  1.1919770000e+00 -4.8017650000e+00  4.5609210000e+00  2.8502600000e-01
+ENERGY -1.526540913467e+02
+FORCES  3.5542000000e-03  2.6107000000e-03  1.8435000000e-03 -3.3395000000e-03  1.2914000000e-03 -1.5414000000e-03 -2.1210000000e-04 -3.9031000000e-03 -3.0070000000e-04 -3.1633000000e-03 -1.2786000000e-03  3.3674000000e-03 -7.4030000000e-04  1.4677000000e-03 -3.5347000000e-03  3.9009000000e-03 -1.8810000000e-04  1.6580000000e-04
+
+JOB 0
+COORDS -5.2300800000e-01 -1.0707060000e+00 -1.2271500000e-01  1.5199600000e-01 -3.9575400000e-01 -1.9371700000e-01 -1.8658400000e-01 -1.8019870000e+00 -6.4067000000e-01  5.2065400000e-01  1.0376090000e+00  1.6153000000e-01  2.3622700000e-01  1.5328910000e+00 -6.0660400000e-01 -1.6172700000e-01  1.1942450000e+00  8.1425800000e-01
+ENERGY -1.526497096547e+02
+FORCES  1.6432600000e-02  3.1412400000e-02  5.6567000000e-03 -5.9615000000e-03 -5.0596000000e-03 -2.1869000000e-03  3.1493000000e-03  6.7416000000e-03  2.5390000000e-04 -1.8485700000e-02 -2.7496700000e-02 -2.4884000000e-03  8.0240000000e-04 -5.3979000000e-03  3.4945000000e-03  4.0629000000e-03 -1.9970000000e-04 -4.7299000000e-03
+
+JOB 1
+COORDS  8.8200400000e-01  9.7125000000e-02  8.5958400000e-01  4.9760000000e-01  5.5778300000e-01  1.6054130000e+00  1.1319340000e+00 -7.5834600000e-01  1.2087770000e+00 -9.0147400000e-01 -5.6433000000e-02 -9.8212200000e-01 -9.9802000000e-02  2.5825000000e-01 -5.6435500000e-01 -1.2571520000e+00 -6.9743700000e-01 -3.6662300000e-01
+ENERGY -1.526543582850e+02
+FORCES -1.0655800000e-02 -3.1392000000e-03 -8.1731000000e-03  1.2011000000e-03 -3.6641000000e-03 -4.0235000000e-03 -2.7964000000e-03  4.4608000000e-03 -4.3570000000e-04  1.5490100000e-02 -1.0848000000e-03  1.8222400000e-02 -2.3208000000e-03  3.2798000000e-03 -4.3852000000e-03 -9.1820000000e-04  1.4750000000e-04 -1.2049000000e-03
+
+JOB 2
+COORDS  9.3361900000e-01  2.2884300000e-01  9.2192900000e-01  5.3920900000e-01  1.7692900000e-01  1.7925480000e+00  1.9644700000e-01  1.3536700000e-01  3.1854600000e-01 -8.4360500000e-01 -2.6618200000e-01 -8.9527600000e-01 -7.7686800000e-01 -2.6940700000e-01 -1.8501410000e+00 -1.3192760000e+00  5.3886700000e-01 -6.9066600000e-01
+ENERGY -1.526543076880e+02
+FORCES -1.1449800000e-02 -6.7838000000e-03 -1.3373200000e-02 -1.3389000000e-03  3.8420000000e-04 -4.3275000000e-03 -2.2210000000e-03  7.7980000000e-03  7.0919000000e-03  9.8386000000e-03  2.5895000000e-03  3.0286000000e-03 -2.3501000000e-03  7.8090000000e-04  4.9022000000e-03  7.5212000000e-03 -4.7687000000e-03  2.6781000000e-03
+
+JOB 3
+COORDS -8.9393200000e-01 -8.2504100000e-01  2.8359100000e-01 -3.7730800000e-01 -1.6228120000e+00  1.7004700000e-01 -1.3936710000e+00 -9.7493600000e-01  1.0861030000e+00  9.2757000000e-01  8.6838300000e-01 -3.8226500000e-01  9.8593600000e-01  1.6994440000e+00  8.9076000000e-02  2.5992300000e-01  3.7098600000e-01  9.0045000000e-02
+ENERGY -1.526577805923e+02
+FORCES  7.8070000000e-03  3.7704000000e-03 -2.1587000000e-03 -2.9257000000e-03  5.3905000000e-03  2.0625000000e-03  3.5932000000e-03  8.3660000000e-04 -4.1135000000e-03 -1.4824600000e-02 -1.0677300000e-02  5.6141000000e-03 -2.3403000000e-03 -3.4790000000e-03  1.8210000000e-04  8.6904000000e-03  4.1587000000e-03 -1.5866000000e-03
+
+JOB 4
+COORDS -8.9114600000e-01  4.1366300000e-01 -9.6160000000e-01 -1.5346800000e-01  3.2521600000e-01 -3.5807700000e-01 -7.2234800000e-01 -2.3623100000e-01 -1.6437860000e+00  8.2108200000e-01 -3.5526300000e-01  9.1198500000e-01  6.1448600000e-01 -1.1542910000e+00  1.3968610000e+00  1.4213520000e+00  1.2374700000e-01  1.4833480000e+00
+ENERGY -1.526590278599e+02
+FORCES  1.1603100000e-02 -5.8568000000e-03  1.0043100000e-02 -3.6207000000e-03  3.7049000000e-03 -5.8307000000e-03 -4.4300000000e-04  1.0245000000e-03  2.4509000000e-03 -7.2347000000e-03  2.3350000000e-04 -3.2294000000e-03  3.1768000000e-03  3.9315000000e-03 -1.1100000000e-03 -3.4816000000e-03 -3.0375000000e-03 -2.3238000000e-03
+
+JOB 5
+COORDS -8.3780800000e-01  3.9423900000e-01  1.0055320000e+00 -5.2512500000e-01  5.1599900000e-01  1.9019890000e+00 -5.5483000000e-02  4.9329500000e-01  4.6295600000e-01  8.2042100000e-01 -3.7146400000e-01 -9.8226300000e-01  3.4892000000e-02 -8.5236600000e-01 -7.2167000000e-01  8.5980300000e-01 -4.7341300000e-01 -1.9332030000e+00
+ENERGY -1.526596271857e+02
+FORCES  7.6834000000e-03  1.6568000000e-03 -3.5956000000e-03  1.5390000000e-04 -2.0030000000e-04 -3.8112000000e-03 -6.8791000000e-03 -6.2370000000e-03  3.4977000000e-03 -5.0206000000e-03 -7.9810000000e-04 -1.9800000000e-05  5.4140000000e-03  6.7888000000e-03 -3.5150000000e-04 -1.3516000000e-03 -1.2102000000e-03  4.2805000000e-03
+
+JOB 6
+COORDS  8.1987500000e-01 -1.4073700000e-01  9.9612100000e-01  1.6465090000e+00  3.0820600000e-01  1.1732030000e+00  4.1166900000e-01 -2.4004400000e-01  1.8562010000e+00 -8.4324200000e-01  8.1683000000e-02 -1.1147890000e+00 -1.3340810000e+00  8.8889500000e-01 -9.6078700000e-01 -3.8165300000e-01 -7.9227000000e-02 -2.9182100000e-01
+ENERGY -1.526589729846e+02
+FORCES -2.3070000000e-04  2.9296000000e-03 -4.4379000000e-03 -4.1901000000e-03 -2.5272000000e-03  1.6893000000e-03  1.4852000000e-03  1.6183000000e-03 -5.2310000000e-03  9.1473000000e-03  1.1395000000e-03  1.1738000000e-02  1.6851000000e-03 -2.2080000000e-03  4.4450000000e-04 -7.8967000000e-03 -9.5220000000e-04 -4.2029000000e-03
+
+JOB 7
+COORDS -6.7407200000e-01 -9.9178800000e-01 -7.8264900000e-01 -4.3331000000e-01 -1.2036600000e+00  1.1922500000e-01 -2.6432800000e-01 -1.4252100000e-01 -9.4723000000e-01  6.0776400000e-01  8.9307100000e-01  7.4143800000e-01  7.1115500000e-01  1.5524630000e+00  1.4275470000e+00  9.7890300000e-01  1.3007130000e+00 -4.1068000000e-02
+ENERGY -1.526537200395e+02
+FORCES  5.2278000000e-03  8.4004000000e-03  1.0866700000e-02 -2.1896000000e-03 -3.8210000000e-03 -2.8805000000e-03  2.3097000000e-03  1.3280000000e-03 -4.0380000000e-03 -1.9780000000e-04  1.7709000000e-03 -2.3130000000e-03 -4.3350000000e-04 -3.4836000000e-03 -3.3688000000e-03 -4.7166000000e-03 -4.1946000000e-03  1.7337000000e-03
+
+JOB 8
+COORDS  7.6871500000e-01  8.0381700000e-01 -8.9756900000e-01  2.1148200000e-01  5.4537300000e-01 -1.6345100000e-01  1.4357620000e+00  1.1897700000e-01 -9.4525700000e-01 -7.7231400000e-01 -7.9064200000e-01  8.0198400000e-01 -1.6797000000e-01 -6.6710900000e-01  1.5339260000e+00 -1.4451370000e+00 -1.2210700000e-01  9.3084000000e-01
+ENERGY -1.526551834814e+02
+FORCES -6.1153000000e-03 -1.2710500000e-02  6.6991000000e-03  2.1883000000e-03  8.3204000000e-03  9.7190000000e-04 -6.7310000000e-04  2.8698000000e-03  2.6310000000e-04 -9.2430000000e-04  1.3163000000e-03  1.6959000000e-03 -1.5488000000e-03  1.8027000000e-03 -7.1299000000e-03  7.0732000000e-03 -1.5986000000e-03 -2.5000000000e-03
+
+JOB 9
+COORDS  1.9863300000e-01  6.1487000000e-01 -1.1835990000e+00 -5.9987700000e-01  2.4667300000e-01 -1.5618120000e+00  8.6344900000e-01  4.9324800000e-01 -1.8614330000e+00 -1.5375800000e-01 -6.0866700000e-01  1.2907910000e+00 -1.1088890000e+00 -5.4977400000e-01  1.2687050000e+00  1.2627100000e-01 -2.8938900000e-01  4.3295800000e-01
+ENERGY -1.526590925925e+02
+FORCES -2.9270000000e-04 -1.9481000000e-03 -2.0065000000e-03  4.4568000000e-03  7.9860000000e-04  4.0358000000e-03 -4.1590000000e-03  3.3280000000e-04  3.1775000000e-03  6.9330000000e-04  7.3040000000e-03 -1.1197800000e-02  2.5516000000e-03 -4.0890000000e-04 -1.1740000000e-03 -3.2500000000e-03 -6.0783000000e-03  7.1650000000e-03
+
+JOB 10
+COORDS  1.6085000000e-01 -5.7509600000e-01 -1.2673600000e+00  4.5389100000e-01 -1.4746310000e+00 -1.1217700000e+00  9.6661300000e-01 -5.8454000000e-02 -1.2749100000e+00 -1.6337600000e-01  5.8129800000e-01  1.2870290000e+00 -5.5866700000e-01  2.0131800000e-01  5.0243300000e-01 -7.8687900000e-01  1.2501780000e+00  1.5700040000e+00
+ENERGY -1.526609303823e+02
+FORCES  6.7757000000e-03 -6.2000000000e-05  2.3664000000e-03 -1.4187000000e-03  4.3455000000e-03 -3.6420000000e-04 -4.0577000000e-03 -3.0627000000e-03 -1.0039000000e-03 -2.6180000000e-03 -2.9121000000e-03 -7.4640000000e-03 -5.3750000000e-04  4.2776000000e-03  9.0867000000e-03  1.8563000000e-03 -2.5863000000e-03 -2.6210000000e-03
+
+JOB 11
+COORDS -8.4375600000e-01  8.1030400000e-01 -6.7739400000e-01 -1.2693580000e+00  1.6412330000e+00 -4.6608700000e-01 -8.6596800000e-01  7.6555600000e-01 -1.6332900000e+00  9.0416000000e-01 -8.6456900000e-01  7.7860500000e-01  3.8555500000e-01 -9.9645000000e-02  5.2926300000e-01  8.4439600000e-01 -1.4511860000e+00  2.4588000000e-02
+ENERGY -1.526595276073e+02
+FORCES  5.9870000000e-04  1.7070000000e-04 -2.1058000000e-03  2.3735000000e-03 -4.0384000000e-03 -1.4472000000e-03 -6.8680000000e-04  6.0520000000e-04  4.4799000000e-03 -8.2512000000e-03  5.4237000000e-03 -8.6172000000e-03  4.8015000000e-03 -2.7987000000e-03  5.8429000000e-03  1.1643000000e-03  6.3740000000e-04  1.8473000000e-03
+
+JOB 12
+COORDS -1.0376820000e+00 -6.1122000000e-01  7.7430600000e-01 -6.1499800000e-01  9.4246000000e-02  2.8452200000e-01 -1.8168700000e+00 -2.0583500000e-01  1.1547800000e+00  1.0154650000e+00  5.5869000000e-01 -7.2101700000e-01  1.4373390000e+00 -2.4945100000e-01 -1.0128430000e+00  1.3594210000e+00  1.2337460000e+00 -1.3060170000e+00
+ENERGY -1.526609236497e+02
+FORCES  4.5298000000e-03  6.0462000000e-03 -3.8268000000e-03 -7.2473000000e-03 -4.4774000000e-03  4.9649000000e-03  3.0954000000e-03 -3.8800000000e-05 -1.9583000000e-03  1.7125000000e-03 -3.0788000000e-03 -1.7005000000e-03 -1.1046000000e-03  5.1107000000e-03  2.1000000000e-04 -9.8570000000e-04 -3.5619000000e-03  2.3106000000e-03
+
+JOB 13
+COORDS  6.5694400000e-01 -6.4909900000e-01  1.1576600000e+00 -1.5200900000e-01 -2.1186100000e-01  8.9186200000e-01  1.2437840000e+00 -5.4397700000e-01  4.0879500000e-01 -6.3817000000e-01  5.9554000000e-01 -1.0381210000e+00 -4.2828100000e-01  1.8591000000e-01 -1.8773960000e+00 -1.0257190000e+00  1.4387080000e+00 -1.2728630000e+00
+ENERGY -1.526584664281e+02
+FORCES -4.2694000000e-03  6.4298000000e-03 -1.0557100000e-02  1.1748000000e-03 -2.2963000000e-03  6.0373000000e-03  9.5680000000e-04 -2.3896000000e-03  2.2863000000e-03  4.2660000000e-04 -2.2220000000e-04 -2.6073000000e-03 -1.7660000000e-04  2.7358000000e-03  3.8389000000e-03  1.8877000000e-03 -4.2576000000e-03  1.0018000000e-03
+
+JOB 14
+COORDS -9.7058000000e-01 -5.6357300000e-01  9.2411100000e-01 -3.8825200000e-01 -4.4967800000e-01  1.7300900000e-01 -1.6452990000e+00 -1.1681680000e+00  6.1516100000e-01  9.4323900000e-01  5.6242700000e-01 -8.3465300000e-01  1.0286850000e+00  5.2933300000e-01 -1.7874570000e+00  1.5762720000e+00  1.2257310000e+00 -5.5982800000e-01
+ENERGY -1.526601887717e+02
+FORCES  5.1851000000e-03  2.4602000000e-03 -6.7343000000e-03 -7.0242000000e-03 -5.3596000000e-03  4.6043000000e-03  2.8580000000e-03  2.2274000000e-03 -3.8980000000e-04  1.4330000000e-03  3.1316000000e-03  1.3545000000e-03 -4.2810000000e-04  2.0020000000e-04  4.5056000000e-03 -2.0238000000e-03 -2.6597000000e-03 -3.3403000000e-03
+
+JOB 15
+COORDS  5.6356800000e-01  7.3777700000e-01 -1.0347860000e+00  1.0904840000e+00  9.7599800000e-01 -1.7975730000e+00  9.5811300000e-01  1.2224100000e+00 -3.0973700000e-01 -6.4944700000e-01 -7.2237300000e-01  1.0658040000e+00 -3.1385100000e-01 -7.8320600000e-01  1.7142900000e-01 -3.3285200000e-01 -1.5169600000e+00  1.4954910000e+00
+ENERGY -1.526601800117e+02
+FORCES  2.2652000000e-03  3.7769000000e-03  2.0642000000e-03 -1.7983000000e-03 -6.2390000000e-04  4.0215000000e-03 -3.4920000000e-04 -2.0756000000e-03 -5.1904000000e-03  2.8245000000e-03 -8.1140000000e-04 -6.3674000000e-03 -2.5902000000e-03 -3.3652000000e-03  7.6960000000e-03 -3.5200000000e-04  3.0991000000e-03 -2.2240000000e-03
+
+JOB 16
+COORDS -1.0163130000e+00  2.6220600000e-01 -9.7891300000e-01 -5.6965500000e-01  2.0043300000e-01 -1.8232540000e+00 -9.2735300000e-01  1.1813770000e+00 -7.2703400000e-01  9.5850200000e-01 -2.8167900000e-01  1.0544000000e+00  6.4607500000e-01 -9.4492000000e-01  4.3898700000e-01  1.8723300000e+00 -1.3771100000e-01  8.0859000000e-01
+ENERGY -1.526544805598e+02
+FORCES  4.4880000000e-03  5.8944000000e-03  2.4332000000e-03 -5.4760000000e-04 -9.5710000000e-04  4.3499000000e-03 -1.8247000000e-03 -2.9623000000e-03 -3.3626000000e-03 -3.0041000000e-03 -2.1313000000e-03 -7.0401000000e-03  4.9661000000e-03 -6.2600000000e-05  3.7101000000e-03 -4.0776000000e-03  2.1880000000e-04 -9.0500000000e-05
+
+JOB 17
+COORDS -8.6163000000e-01  1.0156730000e+00 -6.2233400000e-01 -6.4184700000e-01  4.9601700000e-01  1.5089600000e-01 -6.9543100000e-01  1.9206500000e+00 -3.5846300000e-01  8.1067200000e-01 -1.0814200000e+00  5.2488300000e-01  1.2586460000e+00 -2.6246000000e-01  3.1309000000e-01  8.8993100000e-01 -1.1594040000e+00  1.4756030000e+00
+ENERGY -1.526560841328e+02
+FORCES  4.7240000000e-04 -3.8156000000e-03  4.7472000000e-03  2.0990000000e-04  7.9583000000e-03 -2.6128000000e-03  1.1919000000e-03 -4.7085000000e-03 -2.9610000000e-04  5.2745000000e-03  1.1100000000e-03 -3.7850000000e-04 -5.1225000000e-03 -2.7315000000e-03  3.5227000000e-03 -2.0261000000e-03  2.1874000000e-03 -4.9826000000e-03
+
+JOB 18
+COORDS  1.1460930000e+00 -1.1883500000e-01  9.1144200000e-01  1.4974890000e+00 -9.5462500000e-01  1.2183750000e+00  5.1009700000e-01 -3.5886000000e-01  2.3755100000e-01 -1.0813840000e+00  1.7966100000e-01 -8.5107500000e-01 -1.7017860000e+00 -4.9687800000e-01 -1.1224210000e+00 -1.3573830000e+00  9.6309600000e-01 -1.3267720000e+00
+ENERGY -1.526595987431e+02
+FORCES -6.0631000000e-03 -8.4480000000e-04 -5.1070000000e-03 -2.4271000000e-03  2.2972000000e-03 -1.8640000000e-03  7.3211000000e-03 -3.4751000000e-03  5.6339000000e-03 -1.7680000000e-03  3.4597000000e-03 -1.3836000000e-03  3.4375000000e-03  2.9196000000e-03  1.3522000000e-03 -5.0040000000e-04 -4.3566000000e-03  1.3685000000e-03
+
+JOB 19
+COORDS  3.4591900000e-01  7.7649200000e-01 -1.2227970000e+00  1.7887800000e-01  5.0820000000e-02 -6.2135800000e-01  1.2141910000e+00  5.9503600000e-01 -1.5825290000e+00 -4.3638900000e-01 -6.8902400000e-01  1.1668570000e+00 -2.4050200000e-01 -1.6201600000e+00  1.2710030000e+00  1.8201900000e-01 -2.4714300000e-01  1.7487030000e+00
+ENERGY -1.526600516018e+02
+FORCES -1.4143000000e-03 -6.1734000000e-03  5.7607000000e-03  5.0868000000e-03  4.7579000000e-03 -8.4157000000e-03 -2.8754000000e-03 -1.6340000000e-04  2.4763000000e-03  1.5303000000e-03 -2.9470000000e-04  5.5974000000e-03  1.3180000000e-04  5.2019000000e-03 -1.6733000000e-03 -2.4592000000e-03 -3.3284000000e-03 -3.7453000000e-03
+
+JOB 20
+COORDS  1.2374920000e+00  5.8174900000e-01 -5.0455400000e-01  1.0273880000e+00  4.7908400000e-01 -1.4327500000e+00  8.2136300000e-01  1.4065790000e+00 -2.5410700000e-01 -1.2127510000e+00 -5.8465400000e-01  4.8788900000e-01 -1.8409640000e+00 -1.1752020000e+00  9.0362000000e-01 -4.2435300000e-01 -6.5547800000e-01  1.0260760000e+00
+ENERGY -1.526567109410e+02
+FORCES -7.1161000000e-03  1.3154000000e-03 -4.0711000000e-03  2.4545000000e-03  1.3617000000e-03  2.8859000000e-03  2.8207000000e-03 -3.0850000000e-03 -1.6020000000e-04  4.7989000000e-03 -1.6205000000e-03  2.4914000000e-03  3.4660000000e-03  2.3038000000e-03 -2.1040000000e-03 -6.4240000000e-03 -2.7540000000e-04  9.5800000000e-04
+
+JOB 21
+COORDS  1.3471500000e-01 -1.5017110000e+00  2.6974800000e-01  6.9300000000e-03 -5.9057600000e-01  5.3382500000e-01  2.4433300000e-01 -1.4630830000e+00 -6.8036900000e-01 -1.0274400000e-01  1.4129630000e+00 -2.8264400000e-01 -9.6777400000e-01  1.8221910000e+00 -3.0470000000e-01  2.0488900000e-01  1.5501930000e+00  6.1332600000e-01
+ENERGY -1.526571185719e+02
+FORCES -9.0890000000e-04  9.7929000000e-03 -6.6951000000e-03  1.5880000000e-03 -3.3058000000e-03  5.9885000000e-03 -1.2150000000e-04 -3.0352000000e-03  2.6886000000e-03 -2.3470000000e-03  3.9328000000e-03  1.8527000000e-03  4.4755000000e-03 -2.2517000000e-03  4.1050000000e-04 -2.6861000000e-03 -5.1330000000e-03 -4.2452000000e-03
+
+JOB 22
+COORDS  1.2320100000e+00  7.2523600000e-01  2.4972600000e-01  1.0836720000e+00  1.6707870000e+00  2.6241400000e-01  1.8771390000e+00  5.9282000000e-01 -4.4490200000e-01 -1.3304700000e+00 -8.0045100000e-01 -2.1043500000e-01 -7.2618200000e-01 -6.3513600000e-01 -9.3413300000e-01 -8.7681200000e-01 -4.6441500000e-01  5.6255000000e-01
+ENERGY -1.526581008090e+02
+FORCES  2.4348000000e-03  3.3123000000e-03 -2.4565000000e-03  4.7040000000e-04 -4.7265000000e-03 -1.8450000000e-04 -3.9134000000e-03  6.4800000000e-04  2.4159000000e-03  9.9483000000e-03  4.8868000000e-03  1.4203000000e-03 -3.3266000000e-03 -1.9818000000e-03 -9.2230000000e-04 -5.6135000000e-03 -2.1387000000e-03 -2.7290000000e-04
+
+JOB 23
+COORDS -1.2721730000e+00  3.1060600000e-01 -6.1936200000e-01 -2.2186410000e+00  2.5740900000e-01 -7.5203100000e-01 -9.0154300000e-01  2.2531400000e-01 -1.4977640000e+00  1.3370990000e+00 -3.3902500000e-01  7.1261800000e-01  1.4861110000e+00 -7.1064000000e-02 -1.9414800000e-01  5.1867100000e-01  9.2003000000e-02  9.5883200000e-01
+ENERGY -1.526568587535e+02
+FORCES -2.2538000000e-03 -1.8755000000e-03 -4.2403000000e-03  4.3116000000e-03  3.0800000000e-05  2.6830000000e-04 -7.1370000000e-04  9.5580000000e-04  4.0642000000e-03 -7.9768000000e-03  3.4274000000e-03 -4.2302000000e-03  6.0990000000e-04 -1.3022000000e-03  1.6220000000e-03  6.0229000000e-03 -1.2363000000e-03  2.5158000000e-03
+
+JOB 24
+COORDS  5.2265600000e-01 -6.3353900000e-01  1.2937700000e+00 -7.3880000000e-03 -5.7335000000e-01  2.0885420000e+00  4.3720000000e-02 -1.1637800000e-01  6.4616200000e-01 -4.5603000000e-01  5.6426600000e-01 -1.2456350000e+00  2.8000000000e-03  3.1628500000e-01 -2.0482630000e+00 -9.0451400000e-01  1.3801680000e+00 -1.4678930000e+00
+ENERGY -1.526610516914e+02
+FORCES -4.5765000000e-03  3.5407000000e-03 -4.6738000000e-03  1.2468000000e-03  4.7070000000e-04 -3.0827000000e-03  2.6788000000e-03 -3.5766000000e-03  9.2086000000e-03  1.5849000000e-03  9.8680000000e-04 -4.7803000000e-03 -3.0016000000e-03  2.3637000000e-03  2.6458000000e-03  2.0675000000e-03 -3.7852000000e-03  6.8240000000e-04
+
+JOB 25
+COORDS  1.1897460000e+00 -8.3854600000e-01  1.8611000000e-01  2.0188620000e+00 -1.3104860000e+00  2.6402600000e-01  5.2404000000e-01 -1.4806090000e+00  4.3273400000e-01 -1.2113800000e+00  9.6210700000e-01 -1.9746100000e-01 -3.4081700000e-01  5.8682500000e-01 -3.2980400000e-01 -1.7989380000e+00  2.0657100000e-01 -1.8425500000e-01
+ENERGY -1.526582487441e+02
+FORCES  2.6755000000e-03 -4.1732000000e-03  2.0852000000e-03 -4.2550000000e-03  1.0226000000e-03  3.8520000000e-04  2.0986000000e-03  3.8183000000e-03 -2.4692000000e-03  5.1044000000e-03 -4.7701000000e-03 -4.7270000000e-04 -8.1016000000e-03  2.3284000000e-03 -1.3670000000e-04  2.4781000000e-03  1.7741000000e-03  6.0830000000e-04
+
+JOB 26
+COORDS -1.1095560000e+00 -6.3069500000e-01 -6.9606500000e-01 -2.0076680000e+00 -6.5067900000e-01 -1.0265620000e+00 -6.9696800000e-01 -1.4067150000e+00 -1.0752700000e+00  1.1747730000e+00  7.2223900000e-01  7.6433700000e-01  1.4757220000e+00  1.1973000000e-02  1.9760600000e-01  2.2814800000e-01  5.9479400000e-01  8.2671200000e-01
+ENERGY -1.526577748002e+02
+FORCES -2.0706000000e-03 -2.9773000000e-03 -3.5877000000e-03  4.1557000000e-03 -2.3240000000e-04  1.3608000000e-03 -1.1603000000e-03  3.8047000000e-03  1.9071000000e-03 -6.9695000000e-03 -4.8085000000e-03 -5.1583000000e-03  1.0655000000e-03  1.3984000000e-03  1.8538000000e-03  4.9792000000e-03  2.8151000000e-03  3.6243000000e-03
+
+JOB 27
+COORDS  6.4308100000e-01 -1.3525460000e+00 -1.0262300000e-01  6.5306200000e-01 -1.4349890000e+00  8.5096700000e-01  1.5634620000e+00 -1.4133970000e+00 -3.5841300000e-01 -7.6584800000e-01  1.3428880000e+00  5.0853000000e-02 -4.6451000000e-01  2.2074230000e+00  3.3015000000e-01  3.6757000000e-02  8.3315900000e-01 -5.9754000000e-02
+ENERGY -1.526581566145e+02
+FORCES  2.3303000000e-03 -5.2401000000e-03  3.2755000000e-03  9.2460000000e-04  1.6574000000e-03 -5.0920000000e-03 -4.6528000000e-03  2.0601000000e-03  1.4967000000e-03  4.6642000000e-03 -2.8717000000e-03 -1.2429000000e-03 -2.2270000000e-04 -4.0684000000e-03 -8.5820000000e-04 -3.0436000000e-03  8.4627000000e-03  2.4210000000e-03
+
+JOB 28
+COORDS -2.6814000000e-02  5.1780100000e-01 -1.3899590000e+00 -1.6279800000e-01  3.8196200000e-01 -2.3276620000e+00  4.3429900000e-01  1.3546840000e+00 -1.3330860000e+00 -2.0321000000e-02 -6.1230000000e-01  1.4318630000e+00  5.9786200000e-01 -3.5188800000e-01  2.1147010000e+00 -7.3425000000e-02  1.4847700000e-01  8.5339000000e-01
+ENERGY -1.526560648020e+02
+FORCES  6.6050000000e-04  1.2050000000e-04 -5.8211000000e-03  1.2495000000e-03  1.4579000000e-03  3.6494000000e-03 -2.4560000000e-03 -4.2296000000e-03  2.0745000000e-03  1.2735000000e-03  3.6245000000e-03 -4.0325000000e-03 -2.0437000000e-03 -4.3490000000e-04 -3.2316000000e-03  1.3162000000e-03 -5.3850000000e-04  7.3613000000e-03
+
+JOB 29
+COORDS -5.8488400000e-01  3.4307900000e-01  1.3592410000e+00 -1.2192300000e+00 -3.7306800000e-01  1.3280810000e+00 -1.1067330000e+00  1.1323780000e+00  1.2146310000e+00  6.2157800000e-01 -3.5000300000e-01 -1.3912480000e+00  4.0351900000e-01 -4.5538000000e-02 -5.1034900000e-01  1.5467880000e+00 -5.8999400000e-01 -1.3400470000e+00
+ENERGY -1.526617255827e+02
+FORCES -6.8539000000e-03  4.9620000000e-04  2.2549000000e-03  3.5100000000e-03  3.9643000000e-03 -3.6680000000e-04  2.7222000000e-03 -4.2672000000e-03  1.5460000000e-04  1.1292000000e-03  1.6268000000e-03  7.6485000000e-03  2.6340000000e-03 -2.5934000000e-03 -9.8192000000e-03 -3.1416000000e-03  7.7340000000e-04  1.2790000000e-04
+
+JOB 30
+COORDS -3.5526500000e-01 -1.4754630000e+00  5.0802400000e-01 -2.5398400000e-01 -9.6714200000e-01  1.3127510000e+00 -1.3904200000e-01 -8.6063000000e-01 -1.9301800000e-01  3.5422000000e-01  1.3492980000e+00 -5.0049900000e-01  4.2097400000e-01  1.8099060000e+00 -1.3369300000e+00 -3.7820000000e-02  1.9882500000e+00  9.4712000000e-02
+ENERGY -1.526593268440e+02
+FORCES  3.0249000000e-03  9.0120000000e-03 -1.2337000000e-03 -1.1723000000e-03 -2.2755000000e-03 -1.1446000000e-03 -1.9826000000e-03 -7.3150000000e-03  1.6472000000e-03 -1.3403000000e-03  5.4628000000e-03 -6.3890000000e-04 -5.9540000000e-04 -1.9953000000e-03  3.9708000000e-03  2.0657000000e-03 -2.8889000000e-03 -2.6007000000e-03
+
+JOB 31
+COORDS -5.1511600000e-01  4.4195300000e-01 -1.4493040000e+00 -3.7580400000e-01  1.3088260000e+00 -1.0680470000e+00 -1.0304500000e-01 -1.6128200000e-01 -8.3080800000e-01  5.0052100000e-01 -4.0397300000e-01  1.3470780000e+00 -2.1258000000e-01 -4.2301900000e-01  1.9853230000e+00  9.3238800000e-01 -1.2526550000e+00  1.4443540000e+00
+ENERGY -1.526598548930e+02
+FORCES  4.2011000000e-03  4.0590000000e-04  9.0109000000e-03 -1.4911000000e-03 -1.6776000000e-03 -2.4975000000e-03 -2.2600000000e-03  2.1010000000e-04 -7.6413000000e-03 -1.5393000000e-03 -2.7515000000e-03  5.2777000000e-03  3.8241000000e-03 -1.0670000000e-04 -2.7006000000e-03 -2.7348000000e-03  3.9198000000e-03 -1.4492000000e-03
+
+JOB 32
+COORDS -7.6700400000e-01  3.6191800000e-01  1.2828350000e+00  9.8424000000e-02 -2.8999000000e-02  1.4030440000e+00 -1.3460620000e+00 -1.6223800000e-01  1.8361740000e+00  8.2237700000e-01 -3.1270000000e-01 -1.3045680000e+00  8.7114000000e-02 -5.1363700000e-01 -7.2556600000e-01  4.1400300000e-01 -6.8053000000e-02 -2.1349960000e+00
+ENERGY -1.526577972395e+02
+FORCES  2.0519000000e-03 -7.8490000000e-04  5.9233000000e-03 -6.0410000000e-03 -1.1470000000e-04 -2.8737000000e-03  2.8741000000e-03  2.0484000000e-03 -3.3179000000e-03 -7.0916000000e-03  2.4982000000e-03  1.2600000000e-05  6.6605000000e-03 -2.3377000000e-03 -2.4310000000e-03  1.5461000000e-03 -1.3093000000e-03  2.6866000000e-03
+
+JOB 33
+COORDS -1.1324750000e+00 -8.8410000000e-02 -1.0383880000e+00 -1.5080070000e+00 -4.9297500000e-01 -1.8203950000e+00 -1.9102900000e-01 -6.3628000000e-02 -1.2095540000e+00  1.0469620000e+00  1.2040800000e-01  1.1458590000e+00  1.2700640000e+00 -6.9577200000e-01  6.9830000000e-01  1.6300130000e+00  7.7346900000e-01  7.5882700000e-01
+ENERGY -1.526518595964e+02
+FORCES  3.0555000000e-03 -1.0100000000e-04 -2.0028000000e-03  2.0737000000e-03  1.4939000000e-03  4.0883000000e-03 -2.8772000000e-03 -1.3531000000e-03 -1.2414000000e-03  1.9637000000e-03 -1.1800000000e-03 -1.1920000000e-03 -8.5890000000e-04  4.4866000000e-03  6.9300000000e-05 -3.3567000000e-03 -3.3464000000e-03  2.7860000000e-04
+
+JOB 34
+COORDS  2.6279000000e-02  1.3641540000e+00  6.5056100000e-01  7.1810300000e-01  1.9530720000e+00  3.4925200000e-01 -7.7326500000e-01  1.8881080000e+00  6.0123700000e-01  3.4660000000e-02 -1.4704570000e+00 -6.3904100000e-01 -3.2506000000e-02 -6.7395100000e-01 -1.1244900000e-01 -8.3996200000e-01 -1.5873750000e+00 -1.0099830000e+00
+ENERGY -1.526608015417e+02
+FORCES  7.3710000000e-04  6.1953000000e-03 -1.3465000000e-03 -3.8732000000e-03 -1.9039000000e-03  1.7186000000e-03  3.7208000000e-03 -2.4697000000e-03 -1.8710000000e-04 -2.8615000000e-03  6.6832000000e-03  2.7259000000e-03 -3.6230000000e-04 -9.1044000000e-03 -4.1059000000e-03  2.6390000000e-03  5.9960000000e-04  1.1949000000e-03
+
+JOB 35
+COORDS  8.6397100000e-01 -4.5014700000e-01 -1.1871620000e+00  1.7465710000e+00 -6.7465300000e-01 -1.4818590000e+00  5.3427900000e-01 -1.2529890000e+00 -7.8345400000e-01 -9.0504400000e-01  4.8942500000e-01  1.2474370000e+00 -8.0064000000e-02  7.0540700000e-01  8.1270700000e-01 -1.5543280000e+00  4.9023500000e-01  5.4411500000e-01
+ENERGY -1.526593603246e+02
+FORCES  2.3743000000e-03 -5.5659000000e-03 -6.7620000000e-04 -3.9087000000e-03  6.4730000000e-04  1.7068000000e-03  1.8576000000e-03  4.1539000000e-03 -2.5123000000e-03  2.4551000000e-03  2.0810000000e-03 -7.1786000000e-03 -4.2308000000e-03 -3.6130000000e-04  5.3193000000e-03  1.4524000000e-03 -9.5490000000e-04  3.3410000000e-03
+
+JOB 36
+COORDS  1.2427920000e+00  9.4578100000e-01  4.1034700000e-01  1.0103390000e+00  1.7384730000e+00 -7.3220000000e-02  6.0911800000e-01  2.9113600000e-01  1.1687000000e-01 -1.1332610000e+00 -9.4132300000e-01 -3.3671300000e-01 -1.3990550000e+00 -1.6972950000e+00 -8.6025200000e-01 -1.9086020000e+00 -3.8045600000e-01 -3.1418000000e-01
+ENERGY -1.526604456208e+02
+FORCES -5.4662000000e-03 -2.9459000000e-03 -3.8470000000e-03  3.5360000000e-04 -2.4167000000e-03  1.7698000000e-03  6.2288000000e-03  6.8368000000e-03  2.4902000000e-03 -5.0119000000e-03 -2.7816000000e-03 -2.0351000000e-03 -8.1800000000e-05  3.6942000000e-03  2.4193000000e-03  3.9774000000e-03 -2.3868000000e-03 -7.9720000000e-04
+
+JOB 37
+COORDS -1.4771090000e+00 -1.4876200000e-01 -6.8471700000e-01 -1.0513280000e+00  6.1710600000e-01 -1.0699290000e+00 -1.1100660000e+00 -2.0915300000e-01  1.9724900000e-01  1.3901990000e+00  7.2455000000e-02  6.5057600000e-01  1.7355010000e+00  4.3797500000e-01  1.4650650000e+00  1.9180380000e+00  4.7804800000e-01 -3.7256000000e-02
+ENERGY -1.526573006992e+02
+FORCES  7.5384000000e-03  2.4762000000e-03  4.0173000000e-03 -2.2115000000e-03 -1.9815000000e-03 -3.7060000000e-04 -5.8960000000e-03 -9.8300000000e-05 -2.6565000000e-03  5.4678000000e-03  2.2090000000e-03 -4.7740000000e-04 -2.2170000000e-03 -1.5557000000e-03 -3.8054000000e-03 -2.6817000000e-03 -1.0498000000e-03  3.2924000000e-03
+
+JOB 38
+COORDS  6.4018000000e-01 -1.4479650000e+00  2.3138500000e-01  1.1775300000e+00 -1.3466710000e+00 -5.5425200000e-01  1.2720490000e+00 -1.5165240000e+00  9.4711800000e-01 -6.9133500000e-01  1.4652800000e+00 -2.9363200000e-01 -2.9868600000e-01  7.3466600000e-01  1.8413500000e-01 -1.2475750000e+00  1.9024020000e+00  3.5115800000e-01
+ENERGY -1.526596556608e+02
+FORCES  5.9960000000e-03 -3.8094000000e-03 -1.8638000000e-03 -2.4241000000e-03 -7.5800000000e-05  4.5948000000e-03 -3.3228000000e-03  1.3187000000e-03 -3.2400000000e-03 -3.3470000000e-04 -4.4612000000e-03  4.3558000000e-03 -2.1457000000e-03  8.7824000000e-03 -1.9116000000e-03  2.2312000000e-03 -1.7548000000e-03 -1.9352000000e-03
+
+JOB 39
+COORDS -2.2838800000e-01  9.6918200000e-01 -1.2937300000e+00  3.6423500000e-01  1.3459780000e+00 -6.4330400000e-01 -2.4421700000e-01  1.6105960000e+00 -2.0040600000e+00  2.0443600000e-01 -1.0256520000e+00  1.3646780000e+00 -4.3529300000e-01 -5.3115500000e-01  8.5237700000e-01  6.5969500000e-01 -1.5682620000e+00  7.2082600000e-01
+ENERGY -1.526583727236e+02
+FORCES  2.4195000000e-03  5.4010000000e-03 -1.8880000000e-03 -3.8375000000e-03 -2.2501000000e-03 -3.0009000000e-03  7.1890000000e-04 -2.4570000000e-03  3.1571000000e-03 -2.2466000000e-03 -1.2405000000e-03 -6.3413000000e-03  3.8791000000e-03 -1.2706000000e-03  4.6850000000e-03 -9.3350000000e-04  1.8171000000e-03  3.3881000000e-03
+
+JOB 40
+COORDS  1.0919810000e+00 -1.7019200000e-01  1.2649060000e+00  8.2143200000e-01 -4.2318800000e-01  2.1475320000e+00  7.0141100000e-01  6.9361400000e-01  1.1325220000e+00 -1.1306700000e+00  1.4613000000e-01 -1.3060060000e+00 -6.3920400000e-01 -5.3264500000e-01 -8.4344900000e-01 -4.5876500000e-01  7.0436900000e-01 -1.6973420000e+00
+ENERGY -1.526580058357e+02
+FORCES -2.2942000000e-03  3.3423000000e-03  5.0041000000e-03  1.1281000000e-03  1.1226000000e-03 -3.8430000000e-03  2.4771000000e-03 -4.2792000000e-03 -7.8800000000e-05  5.7943000000e-03 -2.4370000000e-03  2.0700000000e-04 -4.1981000000e-03  3.4764000000e-03 -3.4613000000e-03 -2.9072000000e-03 -1.2251000000e-03  2.1720000000e-03
+
+JOB 41
+COORDS -1.2691230000e+00  1.1960470000e+00  1.1227400000e-01 -6.2054400000e-01  6.2593100000e-01 -3.0069600000e-01 -1.6172550000e+00  6.7750700000e-01  8.3763700000e-01  1.1940470000e+00 -1.1530410000e+00 -1.5437100000e-01  1.2920400000e+00 -5.3827200000e-01  5.7273800000e-01  2.0896560000e+00 -1.3268840000e+00 -4.4401900000e-01
+ENERGY -1.526578161319e+02
+FORCES  4.5100000000e-04 -6.0117000000e-03 -8.2910000000e-04 -3.0619000000e-03  5.3013000000e-03  4.0566000000e-03  1.9597000000e-03  2.5429000000e-03 -2.1376000000e-03  6.7497000000e-03 -1.8840000000e-04  1.5785000000e-03 -2.3326000000e-03 -2.3251000000e-03 -4.5215000000e-03 -3.7659000000e-03  6.8100000000e-04  1.8531000000e-03
+
+JOB 42
+COORDS  1.7421910000e+00 -3.7478400000e-01 -3.9299200000e-01  2.3499670000e+00 -1.1132550000e+00 -4.3173800000e-01  8.8881000000e-01 -7.7483300000e-01 -2.2586300000e-01 -1.7372080000e+00  4.0602400000e-01  3.1862000000e-01 -1.4889500000e+00  1.2393540000e+00  7.1882200000e-01 -1.8702370000e+00 -1.8565900000e-01  1.0591910000e+00
+ENERGY -1.526564462363e+02
+FORCES -2.4624000000e-03 -4.0188000000e-03 -3.3860000000e-04 -2.6420000000e-03  2.8196000000e-03  3.4930000000e-04  6.1800000000e-03 -4.1200000000e-05  1.9390000000e-04 -1.0003000000e-03  3.3717000000e-03  4.9160000000e-03 -1.7290000000e-03 -3.9257000000e-03 -1.4109000000e-03  1.6537000000e-03  1.7943000000e-03 -3.7097000000e-03
+
+JOB 43
+COORDS  3.0395200000e-01  1.7629910000e+00 -4.5472900000e-01  1.2300400000e+00  1.9955950000e+00 -3.8773200000e-01  1.4075500000e-01  1.2059350000e+00  3.0638000000e-01 -3.9851800000e-01 -1.7191000000e+00  4.3677300000e-01  3.4730200000e-01 -2.1937810000e+00  8.0373700000e-01 -2.4166000000e-01 -1.7186930000e+00 -5.0748800000e-01
+ENERGY -1.526570985687e+02
+FORCES  2.0883000000e-03 -1.8549000000e-03  4.4185000000e-03 -3.4764000000e-03 -1.2003000000e-03 -4.1270000000e-04  1.8477000000e-03  4.6847000000e-03 -3.7778000000e-03  2.8398000000e-03 -3.7271000000e-03 -3.5578000000e-03 -2.9123000000e-03  2.6260000000e-03 -1.4537000000e-03 -3.8700000000e-04 -5.2830000000e-04  4.7836000000e-03
+
+JOB 44
+COORDS -1.6040010000e+00  2.4018000000e-02  9.8850100000e-01 -1.4862900000e+00 -8.0413000000e-02  4.4324000000e-02 -8.2953400000e-01 -3.8593300000e-01  1.3736950000e+00  1.5873030000e+00  5.1304000000e-02 -9.8589400000e-01  1.3182950000e+00 -3.7333000000e-02 -7.1558000000e-02  1.2575740000e+00 -7.4045600000e-01 -1.4108960000e+00
+ENERGY -1.526528133016e+02
+FORCES  2.4606000000e-03 -1.4588000000e-03 -2.5387000000e-03 -2.5280000000e-04 -5.6060000000e-04  4.7630000000e-03 -1.8260000000e-03  2.0027000000e-03 -2.6186000000e-03 -6.9730000000e-04 -3.1935000000e-03  1.7534000000e-03 -1.0580000000e-04 -6.4490000000e-04 -3.7310000000e-03  4.2130000000e-04  3.8551000000e-03  2.3719000000e-03
+
+JOB 45
+COORDS  1.5726900000e+00  8.9011200000e-01 -5.3458000000e-01  8.0053500000e-01  6.7368800000e-01 -1.0572350000e+00  1.2463670000e+00  9.4700500000e-01  3.6347800000e-01 -1.5144720000e+00 -8.9147800000e-01  4.5379100000e-01 -1.3695010000e+00 -9.2355000000e-02  9.6036600000e-01 -1.7617360000e+00 -1.5473230000e+00  1.1056800000e+00
+ENERGY -1.526546459807e+02
+FORCES -5.0222000000e-03 -2.5930000000e-03  9.5330000000e-04  3.9038000000e-03  2.6521000000e-03  2.0024000000e-03  8.3940000000e-04  7.0630000000e-04 -2.7932000000e-03 -1.6437000000e-03 -1.0534000000e-03  5.4207000000e-03  1.0068000000e-03 -2.8173000000e-03 -2.9351000000e-03  9.1580000000e-04  3.1053000000e-03 -2.6482000000e-03
+
+JOB 46
+COORDS -5.7724200000e-01 -1.4953850000e+00  9.8212700000e-01 -5.1446000000e-01 -8.4818900000e-01  2.7968300000e-01  2.9792100000e-01 -1.8797090000e+00  1.0332740000e+00  5.2665300000e-01  1.4126420000e+00 -9.5304100000e-01  6.5677500000e-01  2.0655270000e+00 -1.6408210000e+00  3.3019600000e-01  1.9256920000e+00 -1.6919400000e-01
+ENERGY -1.526581073771e+02
+FORCES  4.3150000000e-03  1.5522000000e-03 -4.2672000000e-03 -1.6238000000e-03 -3.9159000000e-03  5.2109000000e-03 -3.3952000000e-03  1.0263000000e-03  4.0980000000e-04  4.3360000000e-04  6.4269000000e-03 -9.8920000000e-04 -3.5690000000e-04 -2.2614000000e-03  3.3044000000e-03  6.2730000000e-04 -2.8282000000e-03 -3.6688000000e-03
+
+JOB 47
+COORDS  7.8929000000e-01 -1.1347370000e+00  1.1878230000e+00  1.6876250000e+00 -1.2088020000e+00  1.5099120000e+00  7.5995500000e-01 -1.7108300000e+00  4.2396000000e-01 -7.9552000000e-01  1.1613210000e+00 -1.2152360000e+00 -8.4298200000e-01  6.4745700000e-01 -4.0905800000e-01 -1.4963610000e+00  1.8076180000e+00 -1.1294860000e+00
+ENERGY -1.526571770479e+02
+FORCES  5.4902000000e-03 -2.9874000000e-03 -1.2343000000e-03 -3.7112000000e-03 -3.6650000000e-04 -1.1832000000e-03 -5.5540000000e-04  2.8698000000e-03  3.4804000000e-03 -2.1996000000e-03  4.1110000000e-04  4.9266000000e-03 -1.7116000000e-03  2.5002000000e-03 -5.6575000000e-03  2.6876000000e-03 -2.4272000000e-03 -3.3200000000e-04
+
+JOB 48
+COORDS  4.3250800000e-01  1.3949600000e+00  1.1601130000e+00  5.2323200000e-01  9.6926800000e-01  3.0759500000e-01  8.9678500000e-01  2.2264640000e+00  1.0637780000e+00 -4.5722200000e-01 -1.4748620000e+00 -1.0702270000e+00 -1.2502670000e+00 -9.3889500000e-01 -1.0630870000e+00  1.5907100000e-01 -9.8431800000e-01 -1.6140850000e+00
+ENERGY -1.526539465009e+02
+FORCES  2.6574000000e-03  5.8750000000e-04 -3.1717000000e-03 -4.5010000000e-04  3.7110000000e-03  2.4185000000e-03 -2.0104000000e-03 -3.6637000000e-03  1.1350000000e-04 -2.3109000000e-03  2.0505000000e-03 -2.9578000000e-03  4.4102000000e-03 -1.9704000000e-03 -2.6750000000e-04 -2.2962000000e-03 -7.1500000000e-04  3.8649000000e-03
+
+JOB 49
+COORDS  1.2360710000e+00 -7.4195400000e-01  1.2057690000e+00  8.0349400000e-01 -5.5172700000e-01  3.7334900000e-01  1.9776870000e+00 -1.2989160000e+00  9.6906200000e-01 -1.2379050000e+00  7.1631000000e-01 -1.1048330000e+00 -1.5625010000e+00  1.6034900000e+00 -9.5061800000e-01 -1.1862440000e+00  6.4192400000e-01 -2.0577390000e+00
+ENERGY -1.526574441591e+02
+FORCES -5.5320000000e-04 -6.1890000000e-04 -4.9496000000e-03  4.9454000000e-03 -2.6392000000e-03  4.6586000000e-03 -2.7859000000e-03  2.1179000000e-03  7.0090000000e-04 -2.9847000000e-03  4.8041000000e-03 -3.2272000000e-03  1.1324000000e-03 -3.8113000000e-03 -1.4097000000e-03  2.4590000000e-04  1.4730000000e-04  4.2271000000e-03
+
+JOB 50
+COORDS  1.4162960000e+00  1.3113030000e+00 -1.4211900000e-01  1.2534340000e+00  1.2348840000e+00 -1.0822620000e+00  7.5319700000e-01  1.9285780000e+00  1.6691700000e-01 -1.4155630000e+00 -1.3310280000e+00  2.2437500000e-01 -5.1694300000e-01 -1.6259380000e+00  3.7183100000e-01 -1.4871510000e+00 -1.2455750000e+00 -7.2631100000e-01
+ENERGY -1.526550550087e+02
+FORCES -4.0637000000e-03  3.0440000000e-03 -1.9116000000e-03  5.9950000000e-04 -3.7930000000e-04  3.6796000000e-03  3.3795000000e-03 -2.0652000000e-03 -1.6701000000e-03  4.6477000000e-03 -6.7480000000e-04 -2.7345000000e-03 -4.6240000000e-03  6.2300000000e-05 -8.5010000000e-04  6.1000000000e-05  1.2900000000e-05  3.4867000000e-03
+
+JOB 51
+COORDS  5.1750400000e-01  1.7788930000e+00 -8.0185200000e-01  2.8762300000e-01  1.6473510000e+00  1.1797600000e-01  2.4574000000e-01  2.6769860000e+00 -9.9107500000e-01 -5.4021800000e-01 -1.7954620000e+00  7.3824500000e-01 -4.7573000000e-01 -2.6377670000e+00  1.1883520000e+00  3.6713800000e-01 -1.5495700000e+00  5.5803800000e-01
+ENERGY -1.526549671522e+02
+FORCES -3.1977000000e-03  3.3059000000e-03  2.7797000000e-03  2.1591000000e-03  5.6450000000e-04 -3.8487000000e-03  1.2205000000e-03 -3.4909000000e-03  7.9650000000e-04  4.1170000000e-03 -3.0536000000e-03  1.3800000000e-04 -2.9280000000e-04  3.4677000000e-03 -1.8545000000e-03 -4.0062000000e-03 -7.9370000000e-04  1.9890000000e-03
+
+JOB 52
+COORDS  1.2558320000e+00 -1.3456350000e+00 -8.5870100000e-01  1.1773780000e+00 -9.1487600000e-01 -1.7098900000e+00  2.1741360000e+00 -1.2296610000e+00 -6.1477400000e-01 -1.3243930000e+00  1.3894220000e+00  8.7534900000e-01 -1.2321120000e+00  1.0165770000e+00  1.7521060000e+00 -1.1875050000e+00  6.4917400000e-01  2.8414100000e-01
+ENERGY -1.526562010486e+02
+FORCES  4.8438000000e-03  1.8740000000e-03 -2.8054000000e-03 -2.1560000000e-04 -1.7100000000e-03  3.8767000000e-03 -3.8157000000e-03 -7.0000000000e-04 -1.1641000000e-03  1.7002000000e-03 -5.6276000000e-03  1.0540000000e-03 -6.3900000000e-04  1.9186000000e-03 -3.0305000000e-03 -1.8737000000e-03  4.2449000000e-03  2.0693000000e-03
+
+JOB 53
+COORDS -6.2815000000e-01 -2.6890200000e-01  1.9523770000e+00 -1.0511220000e+00  3.0511700000e-01  2.5909920000e+00 -3.4369100000e-01  3.1902000000e-01  1.2526180000e+00  6.4283800000e-01  2.7067900000e-01 -1.9455950000e+00  7.3111300000e-01 -3.5683600000e-01 -1.2281940000e+00  4.9412700000e-01 -2.7057500000e-01 -2.7209410000e+00
+ENERGY -1.526553654506e+02
+FORCES -1.2633000000e-03  5.6805000000e-03  2.8040000000e-04  1.7017000000e-03 -2.4373000000e-03 -2.4347000000e-03 -3.5590000000e-04 -3.9380000000e-03  2.7571000000e-03 -5.9900000000e-05 -5.7425000000e-03 -1.4640000000e-03 -8.5400000000e-04  4.1005000000e-03 -2.1907000000e-03  8.3130000000e-04  2.3368000000e-03  3.0520000000e-03
+
+JOB 54
+COORDS -1.4264320000e+00 -1.2435990000e+00 -7.5760900000e-01 -1.0716120000e+00 -2.0623020000e+00 -1.1041050000e+00 -2.3484350000e+00 -1.2538440000e+00 -1.0145850000e+00  1.4531900000e+00  1.2565100000e+00  8.4833200000e-01  9.4983900000e-01  1.1396960000e+00  4.2588000000e-02  2.0234180000e+00  2.0040720000e+00  6.6882800000e-01
+ENERGY -1.526553637454e+02
+FORCES -2.8606000000e-03 -4.2428000000e-03 -1.8858000000e-03 -1.5843000000e-03  3.5811000000e-03  1.1281000000e-03  3.9007000000e-03  1.2900000000e-05  8.9370000000e-04 -8.7240000000e-04  1.7942000000e-03 -4.2524000000e-03  3.6461000000e-03  1.8153000000e-03  3.3986000000e-03 -2.2295000000e-03 -2.9607000000e-03  7.1780000000e-04
+
+JOB 55
+COORDS -1.1136500000e-01 -1.8137740000e+00 -9.4935500000e-01  4.5442900000e-01 -1.4843570000e+00 -1.6476340000e+00 -3.9407700000e-01 -2.6753600000e+00 -1.2559110000e+00  1.2674400000e-01  1.7912740000e+00  1.0135120000e+00  6.5983000000e-02  2.5994990000e+00  1.5227400000e+00 -4.3336100000e-01  1.9443950000e+00  2.5254600000e-01
+ENERGY -1.526535089657e+02
+FORCES  1.7930000000e-03 -2.3300000000e-03 -3.6642000000e-03 -2.7821000000e-03 -1.2745000000e-03  2.5322000000e-03  1.1142000000e-03  3.6038000000e-03  1.3080000000e-03 -3.1203000000e-03  3.1464000000e-03 -1.1308000000e-03  3.1570000000e-04 -3.3740000000e-03 -2.0207000000e-03  2.6794000000e-03  2.2840000000e-04  2.9755000000e-03
+
+JOB 56
+COORDS  2.1466800000e-01 -1.9905610000e+00  8.6594000000e-01  7.4636100000e-01 -1.8218450000e+00  8.8078000000e-02 -5.3724300000e-01 -1.4053680000e+00  7.7422800000e-01 -2.2576300000e-01  1.9129580000e+00 -7.6754300000e-01  2.9236200000e-01  1.5490240000e+00 -1.4854080000e+00 -2.7411300000e-01  2.8498860000e+00 -9.5743300000e-01
+ENERGY -1.526550348756e+02
+FORCES -1.2063000000e-03  4.3118000000e-03 -3.2231000000e-03 -1.7792000000e-03 -1.0798000000e-03  2.6480000000e-03  2.9770000000e-03 -3.7081000000e-03  4.3130000000e-04  1.9725000000e-03  3.7263000000e-03 -3.6641000000e-03 -2.2485000000e-03  7.0410000000e-04  3.2142000000e-03  2.8450000000e-04 -3.9544000000e-03  5.9380000000e-04
+
+JOB 57
+COORDS -1.5688010000e+00 -1.0560250000e+00 -8.4849600000e-01 -2.0474770000e+00 -1.6483330000e+00 -1.4283860000e+00 -1.5308350000e+00 -1.5185170000e+00 -1.1304000000e-02  1.6572000000e+00  1.1506650000e+00  8.3291700000e-01  1.4945600000e+00  2.1737000000e-01  6.9602000000e-01  7.8520100000e-01  1.5365000000e+00  9.1647800000e-01
+ENERGY -1.526550109117e+02
+FORCES -2.8339000000e-03 -4.8347000000e-03 -4.4600000000e-05  1.9408000000e-03  2.3876000000e-03  2.6400000000e-03  7.0360000000e-04  2.5029000000e-03 -3.2546000000e-03 -4.9242000000e-03 -2.2543000000e-03 -1.6432000000e-03  1.2246000000e-03  3.4481000000e-03  1.7015000000e-03  3.8891000000e-03 -1.2496000000e-03  6.0100000000e-04
+
+JOB 58
+COORDS  5.0279800000e-01 -1.7066840000e+00 -1.2395110000e+00  1.5757700000e-01 -1.8731600000e+00 -3.6239100000e-01  1.1649640000e+00 -2.3855320000e+00 -1.3696350000e+00 -5.5639200000e-01  1.7890160000e+00  1.1563720000e+00 -8.4201500000e-01  1.0227690000e+00  1.6538830000e+00  3.6285200000e-01  1.9028720000e+00  1.3977400000e+00
+ENERGY -1.526531053531e+02
+FORCES  9.6650000000e-04 -3.3606000000e-03  2.7536000000e-03  1.5454000000e-03  6.1330000000e-04 -3.1402000000e-03 -2.6949000000e-03  2.9791000000e-03  6.0870000000e-04  2.9024000000e-03 -2.4493000000e-03  2.3311000000e-03  1.1983000000e-03  2.6533000000e-03 -2.0086000000e-03 -3.9178000000e-03 -4.3570000000e-04 -5.4460000000e-04
+
+JOB 59
+COORDS -3.6721600000e-01  6.3914100000e-01  2.1141160000e+00 -1.9121400000e-01 -2.0934600000e-01  2.5207180000e+00  6.9446000000e-02  5.9286800000e-01  1.2635760000e+00  3.2756800000e-01 -6.5957300000e-01 -2.0833450000e+00  8.2549600000e-01 -1.0239700000e-01 -1.4851360000e+00 -1.4818600000e-01 -4.5829000000e-02 -2.6429960000e+00
+ENERGY -1.526534887543e+02
+FORCES  1.9209000000e-03 -4.5212000000e-03 -1.6613000000e-03 -5.5670000000e-04  3.8054000000e-03 -1.4776000000e-03 -9.3060000000e-04  9.4690000000e-04  2.8298000000e-03 -4.7900000000e-05  4.8550000000e-03 -1.3070000000e-03 -2.6159000000e-03 -2.4150000000e-03 -8.7080000000e-04  2.2301000000e-03 -2.6711000000e-03  2.4869000000e-03
+
+JOB 60
+COORDS  1.6398440000e+00 -1.4606810000e+00 -4.3270100000e-01  1.3612100000e+00 -2.2847420000e+00 -3.3304000000e-02  1.0093790000e+00 -1.3101110000e+00 -1.1370270000e+00 -1.5945630000e+00  1.4368730000e+00  4.3231600000e-01 -1.9068710000e+00  1.8272040000e+00  1.2486110000e+00 -1.1986630000e+00  2.1653820000e+00 -4.5983000000e-02
+ENERGY -1.526544565606e+02
+FORCES -4.8523000000e-03 -2.1816000000e-03 -7.0840000000e-04  1.4998000000e-03  2.9487000000e-03 -1.6649000000e-03  3.2614000000e-03 -9.3440000000e-04  2.1776000000e-03  9.7420000000e-04  4.6798000000e-03  1.9025000000e-03  1.0552000000e-03 -1.5257000000e-03 -3.3714000000e-03 -1.9383000000e-03 -2.9868000000e-03  1.6646000000e-03
+
+JOB 61
+COORDS  2.2747800000e+00  2.1192300000e-01 -4.6117500000e-01  1.4008360000e+00 -1.0903800000e-01 -6.8352100000e-01  2.2715590000e+00  2.7473800000e-01  4.9395600000e-01 -2.2429320000e+00 -2.3013300000e-01  3.6327700000e-01 -2.3133840000e+00  7.0168200000e-01  5.7061600000e-01 -1.9628120000e+00 -6.3782400000e-01  1.1827600000e+00
+ENERGY -1.526550075785e+02
+FORCES -4.0421000000e-03 -1.3194000000e-03  2.4884000000e-03  4.6048000000e-03  1.4949000000e-03  1.1786000000e-03  5.9000000000e-06 -1.4790000000e-04 -3.5924000000e-03 -9.0070000000e-04  2.2662000000e-03  4.5114000000e-03  7.3880000000e-04 -4.1405000000e-03 -8.5140000000e-04 -4.0660000000e-04  1.8467000000e-03 -3.7345000000e-03
+
+JOB 62
+COORDS  2.1919730000e+00  2.4101300000e-01 -5.4435500000e-01  3.1039660000e+00 -4.4997000000e-02 -4.9239700000e-01  1.8331320000e+00 -2.3598000000e-01 -1.2926480000e+00 -2.1784760000e+00 -1.5400700000e-01  5.7619500000e-01 -2.6265390000e+00 -4.9435500000e-01  1.3505550000e+00 -2.4958340000e+00 -6.9920700000e-01 -1.4371600000e-01
+ENERGY -1.526530668295e+02
+FORCES  1.5723000000e-03 -3.1103000000e-03 -2.7233000000e-03 -3.7333000000e-03  1.1930000000e-03 -1.0360000000e-04  1.8223000000e-03  1.8190000000e-03  2.7241000000e-03 -2.8358000000e-03 -3.5012000000e-03  6.2390000000e-04  1.6937000000e-03  1.3989000000e-03 -3.2393000000e-03  1.4807000000e-03  2.2006000000e-03  2.7182000000e-03
+
+JOB 63
+COORDS -2.1473370000e+00 -8.7726000000e-02 -8.4054100000e-01 -1.8823580000e+00  7.3400300000e-01 -4.2728600000e-01 -2.8784170000e+00  1.5435600000e-01 -1.4090030000e+00  2.2243710000e+00  5.4255000000e-02  8.8872600000e-01  1.5480960000e+00  5.3590900000e-01  4.1239200000e-01  2.0425070000e+00 -8.6607200000e-01  6.9858000000e-01
+ENERGY -1.526546422866e+02
+FORCES -3.1085000000e-03  4.3023000000e-03 -8.2530000000e-04 -7.7400000000e-05 -3.5823000000e-03 -1.8225000000e-03  3.0733000000e-03 -9.5020000000e-04  2.4366000000e-03 -3.7298000000e-03 -2.4571000000e-03 -3.0853000000e-03  2.6153000000e-03 -1.1402000000e-03  2.2713000000e-03  1.2270000000e-03  3.8275000000e-03  1.0252000000e-03
+
+JOB 64
+COORDS  2.4036310000e+00 -1.5209000000e-01  3.0982100000e-01  1.9540550000e+00 -5.2871000000e-02 -5.2938700000e-01  2.5756510000e+00 -1.0910580000e+00  3.8038300000e-01 -2.4348140000e+00  2.0492500000e-01 -2.3462600000e-01 -1.8572340000e+00  9.3296700000e-01 -4.6395000000e-01 -2.0023700000e+00 -5.6801800000e-01 -5.9764400000e-01
+ENERGY -1.526534521191e+02
+FORCES -4.5740000000e-04 -3.6408000000e-03 -2.8023000000e-03  1.1113000000e-03 -2.9750000000e-04  3.4583000000e-03 -8.6220000000e-04  3.9704000000e-03 -4.7540000000e-04  4.1147000000e-03  4.3600000000e-05 -1.7859000000e-03 -2.3594000000e-03 -3.2189000000e-03  4.3980000000e-04 -1.5470000000e-03  3.1431000000e-03  1.1655000000e-03
+
+JOB 65
+COORDS  2.3258230000e+00 -8.3115200000e-01 -1.9058400000e-01  2.3204200000e+00 -2.4557800000e-01 -9.4775300000e-01  1.4018840000e+00 -9.4205500000e-01  3.3626000000e-02 -2.2272690000e+00  8.3183800000e-01  2.5735900000e-01 -2.5264580000e+00  1.0560030000e+00 -6.2381500000e-01 -2.7329240000e+00  5.3637000000e-02  4.9177000000e-01
+ENERGY -1.526549893379e+02
+FORCES -4.3297000000e-03  2.6286000000e-03 -1.7126000000e-03  3.2490000000e-04 -2.5313000000e-03  2.6972000000e-03  4.2817000000e-03 -4.3700000000e-04 -1.1562000000e-03 -4.4077000000e-03 -1.6228000000e-03 -2.2867000000e-03  1.5990000000e-03 -1.1363000000e-03  3.6098000000e-03  2.5318000000e-03  3.0988000000e-03 -1.1516000000e-03
+
+JOB 66
+COORDS -8.8410300000e-01 -1.5689380000e+00  1.7423630000e+00 -1.0986000000e-02 -1.3660830000e+00  2.0781430000e+00 -1.0984830000e+00 -8.3193600000e-01  1.1704360000e+00  8.5568100000e-01  1.5307800000e+00 -1.6744430000e+00  1.1085850000e+00  1.9766060000e+00 -2.4828430000e+00  3.8931700000e-01  7.4805900000e-01 -1.9678460000e+00
+ENERGY -1.526548690134e+02
+FORCES  2.9145000000e-03  4.3750000000e-03 -5.6320000000e-04 -3.6410000000e-03 -1.1921000000e-03 -1.2730000000e-03  5.9780000000e-04 -3.5348000000e-03  1.8788000000e-03 -4.4930000000e-04 -9.8760000000e-04 -5.2084000000e-03 -1.0687000000e-03 -1.9039000000e-03  3.3006000000e-03  1.6467000000e-03  3.2434000000e-03  1.8653000000e-03
+
+JOB 67
+COORDS  1.3378500000e+00  3.7738500000e-01  2.0906260000e+00  1.0467880000e+00  4.8496600000e-01  1.1851190000e+00  5.9657400000e-01 -3.5642000000e-02  2.5335150000e+00 -1.2269410000e+00 -3.1085700000e-01 -2.0706140000e+00 -1.0941810000e+00 -1.2581790000e+00 -2.1050880000e+00 -2.1650790000e+00 -2.0560000000e-01 -1.9123400000e+00
+ENERGY -1.526551991102e+02
+FORCES -4.3239000000e-03 -9.5910000000e-04 -2.5157000000e-03  1.6005000000e-03 -5.5090000000e-04  4.5285000000e-03  2.9464000000e-03  1.4966000000e-03 -1.5379000000e-03 -3.7704000000e-03 -3.5949000000e-03 -6.7790000000e-04 -5.1120000000e-04  4.0983000000e-03  5.5470000000e-04  4.0586000000e-03 -4.9000000000e-04 -3.5170000000e-04
+
+JOB 68
+COORDS -1.2540770000e+00  1.2307760000e+00  1.6701900000e+00 -1.3670680000e+00  5.9471800000e-01  2.3765140000e+00 -7.6549100000e-01  1.9498830000e+00  2.0706910000e+00  1.2538150000e+00 -1.2630660000e+00 -1.7830320000e+00  1.7303650000e+00 -9.9382200000e-01 -9.9776800000e-01  3.3948500000e-01 -1.0534010000e+00 -1.5925780000e+00
+ENERGY -1.526552103563e+02
+FORCES  9.1510000000e-04  1.0191000000e-03  5.0827000000e-03  7.3690000000e-04  2.4991000000e-03 -3.1774000000e-03 -1.8858000000e-03 -3.1963000000e-03 -1.6897000000e-03 -2.3136000000e-03  2.5511000000e-03  4.2195000000e-03 -1.3815000000e-03 -1.3887000000e-03 -3.1828000000e-03  3.9288000000e-03 -1.4844000000e-03 -1.2522000000e-03
+
+JOB 69
+COORDS  1.1450290000e+00  1.5743590000e+00 -1.5855560000e+00  2.8043500000e-01  1.8842600000e+00 -1.8551320000e+00  9.6629500000e-01  9.3126800000e-01 -8.9946600000e-01 -1.0969120000e+00 -1.5117090000e+00  1.5076960000e+00 -9.0146600000e-01 -2.4472730000e+00  1.4552260000e+00 -1.1037600000e+00 -1.3201990000e+00  2.4455170000e+00
+ENERGY -1.526556800267e+02
+FORCES -4.7006000000e-03 -1.8671000000e-03  2.1147000000e-03  3.5429000000e-03 -8.9040000000e-04  7.8040000000e-04  1.4842000000e-03  3.1526000000e-03 -3.2492000000e-03  3.2480000000e-04 -3.5973000000e-03  4.0791000000e-03 -7.5340000000e-04  3.9808000000e-03  2.5150000000e-04  1.0210000000e-04 -7.7860000000e-04 -3.9765000000e-03
+
+JOB 70
+COORDS  6.5058000000e-02 -8.4935100000e-01 -2.3197540000e+00  9.9137600000e-01 -6.6528200000e-01 -2.4755890000e+00 -3.9932700000e-01 -2.7892400000e-01 -2.9322830000e+00 -1.5334300000e-01  8.3349500000e-01  2.3655790000e+00  6.1849700000e-01  1.2351730000e+00  2.7645140000e+00  1.8696500000e-01  6.8622000000e-02  1.9014770000e+00
+ENERGY -1.526545508909e+02
+FORCES  1.3994000000e-03  3.3543000000e-03 -3.5706000000e-03 -3.6825000000e-03 -8.2330000000e-04  9.8860000000e-04  2.0970000000e-03 -2.4828000000e-03  2.3333000000e-03  4.2325000000e-03 -1.9164000000e-03 -7.6560000000e-04 -3.0401000000e-03 -1.5220000000e-03 -1.6400000000e-03 -1.0063000000e-03  3.3902000000e-03  2.6543000000e-03
+
+JOB 71
+COORDS  1.0413390000e+00 -6.8680200000e-01 -2.1491390000e+00  6.4208900000e-01 -1.5567580000e+00 -2.1516930000e+00  1.3352030000e+00 -5.5496400000e-01 -3.0505230000e+00 -1.0555640000e+00  7.7751200000e-01  2.2094020000e+00 -8.2200400000e-01  1.4061000000e-02  2.7374400000e+00 -9.2856400000e-01  4.9157700000e-01  1.3047780000e+00
+ENERGY -1.526548522410e+02
+FORCES  1.1050000000e-04 -2.8323000000e-03 -4.4344000000e-03  1.4138000000e-03  3.7156000000e-03  4.5550000000e-04 -1.2442000000e-03 -7.4520000000e-04  3.7019000000e-03  2.0566000000e-03 -4.0269000000e-03 -2.1008000000e-03 -1.1121000000e-03  2.9422000000e-03 -1.9683000000e-03 -1.2247000000e-03  9.4650000000e-04  4.3461000000e-03
+
+JOB 72
+COORDS -4.8320000000e-01  7.5664500000e-01 -2.5863900000e+00 -1.3635200000e+00  6.1528900000e-01 -2.2381270000e+00 -6.2031000000e-02  1.3320550000e+00 -1.9478360000e+00  5.2335300000e-01 -7.3056100000e-01  2.4872980000e+00  7.5306500000e-01 -1.6545720000e+00  2.3889810000e+00  7.9623000000e-02 -6.8236400000e-01  3.3340650000e+00
+ENERGY -1.526547449346e+02
+FORCES -1.6273000000e-03  1.6171000000e-03  4.6886000000e-03  3.3084000000e-03  5.8330000000e-04 -1.7421000000e-03 -1.7794000000e-03 -2.0293000000e-03 -3.0989000000e-03 -5.9730000000e-04 -3.8788000000e-03  3.1330000000e-03 -1.0334000000e-03  3.8400000000e-03  5.5880000000e-04  1.7291000000e-03 -1.3230000000e-04 -3.5393000000e-03
+
+JOB 73
+COORDS  1.5062200000e+00 -1.1380870000e+00  1.8583350000e+00  1.9420560000e+00 -5.2334300000e-01  2.4485620000e+00  1.1742100000e+00 -1.8279730000e+00  2.4328410000e+00 -1.5393750000e+00  1.1600230000e+00 -1.8722960000e+00 -1.8847630000e+00  9.2645600000e-01 -2.7339140000e+00 -5.9057200000e-01  1.0706030000e+00 -1.9617820000e+00
+ENERGY -1.526542961637e+02
+FORCES -2.6900000000e-05 -2.7370000000e-04  4.9299000000e-03 -1.6259000000e-03 -2.5276000000e-03 -2.4860000000e-03  1.5581000000e-03  2.7347000000e-03 -2.2897000000e-03  2.8677000000e-03 -1.7220000000e-03 -3.4487000000e-03  1.2904000000e-03  9.8830000000e-04  3.4299000000e-03 -4.0634000000e-03  8.0030000000e-04 -1.3540000000e-04
+
+JOB 74
+COORDS  9.7209900000e-01 -2.3788060000e+00 -1.2135620000e+00  1.5725450000e+00 -2.5895410000e+00 -1.9286050000e+00  1.3137460000e+00 -1.5638840000e+00 -8.4557900000e-01 -1.0194720000e+00  2.3005490000e+00  1.2764880000e+00 -1.7428460000e+00  2.5333750000e+00  6.9446200000e-01 -3.2102200000e-01  2.9140910000e+00  1.0485330000e+00
+ENERGY -1.526541400120e+02
+FORCES  3.6830000000e-03  2.6002000000e-03 -1.0032000000e-03 -2.4562000000e-03  8.9060000000e-04  2.8460000000e-03 -1.0871000000e-03 -3.4810000000e-03 -1.8925000000e-03 -5.8090000000e-04  3.5431000000e-03 -3.1874000000e-03  3.1014000000e-03 -8.3280000000e-04  2.4016000000e-03 -2.6602000000e-03 -2.7201000000e-03  8.3550000000e-04
+
+JOB 75
+COORDS  3.2312500000e-01  7.3457100000e-01  2.7670000000e+00  3.5026800000e-01  6.5455800000e-01  1.8135370000e+00 -6.0392400000e-01  8.5747300000e-01  2.9712240000e+00 -3.1764300000e-01 -7.3727800000e-01 -2.7669940000e+00  3.8627100000e-01 -9.3466000000e-02 -2.6879800000e+00 -1.5747900000e-01 -1.3565890000e+00 -2.0549310000e+00
+ENERGY -1.526539205684e+02
+FORCES -3.9738000000e-03  4.5400000000e-04 -2.8085000000e-03  1.8920000000e-04  3.3100000000e-05  3.6486000000e-03  3.9154000000e-03 -5.7590000000e-04 -8.4570000000e-04  3.7669000000e-03 -3.1890000000e-04  2.5053000000e-03 -3.1099000000e-03 -2.5723000000e-03  1.0580000000e-04 -7.8770000000e-04  2.9801000000e-03 -2.6055000000e-03
+
+JOB 76
+COORDS  1.3076300000e-01  1.6349630000e+00  2.5057890000e+00  3.4995000000e-01  7.1996100000e-01  2.3298330000e+00 -2.7767200000e-01  1.9437030000e+00  1.6970290000e+00 -1.1286500000e-01 -1.6559790000e+00 -2.4945380000e+00 -6.5587300000e-01 -8.6916100000e-01 -2.5424070000e+00  3.5782300000e-01 -1.5726440000e+00 -1.6652370000e+00
+ENERGY -1.526533385942e+02
+FORCES -8.2560000000e-04 -2.2661000000e-03 -3.5783000000e-03 -9.1520000000e-04  3.7449000000e-03  3.0570000000e-04  1.7670000000e-03 -1.5559000000e-03  3.1081000000e-03 -2.3950000000e-04  3.3469000000e-03  2.7649000000e-03  2.3180000000e-03 -3.1756000000e-03  5.1990000000e-04 -2.1046000000e-03 -9.4200000000e-05 -3.1203000000e-03
+
+JOB 77
+COORDS -1.5861710000e+00 -1.1235310000e+00  2.3887090000e+00 -1.8604320000e+00 -8.2294900000e-01  3.2551170000e+00 -2.3911720000e+00 -1.1296090000e+00  1.8708590000e+00  1.6224340000e+00  1.1090810000e+00 -2.4632570000e+00  1.1878840000e+00  1.3772430000e+00 -1.6536350000e+00  2.4859990000e+00  8.0582300000e-01 -2.1830410000e+00
+ENERGY -1.526545121346e+02
+FORCES -4.6118000000e-03  9.1000000000e-04  1.4931000000e-03  1.1798000000e-03 -1.1551000000e-03 -3.5786000000e-03  3.3615000000e-03  1.5410000000e-04  2.1600000000e-03  1.6765000000e-03 -4.2220000000e-04  4.7395000000e-03  1.7748000000e-03 -8.2040000000e-04 -3.5303000000e-03 -3.3808000000e-03  1.3335000000e-03 -1.2838000000e-03
+
+JOB 78
+COORDS -1.6847410000e+00  2.7832220000e+00 -4.6100900000e-01 -1.0078710000e+00  2.6561870000e+00  2.0377700000e-01 -1.8176760000e+00  3.7306980000e+00 -4.9015100000e-01  1.6421530000e+00 -2.8958450000e+00  4.5229400000e-01  1.8875760000e+00 -2.7656010000e+00 -4.6369500000e-01  1.5430560000e+00 -2.0105050000e+00  8.0241300000e-01
+ENERGY -1.526539745222e+02
+FORCES  1.9381000000e-03  3.5699000000e-03  2.6326000000e-03 -2.5599000000e-03  2.8980000000e-04 -2.7863000000e-03  6.0300000000e-04 -3.9195000000e-03  1.1950000000e-04  3.7860000000e-04  4.0969000000e-03 -2.5002000000e-03 -8.7220000000e-04 -5.4190000000e-04  3.8170000000e-03  5.1240000000e-04 -3.4952000000e-03 -1.2825000000e-03
+
+JOB 79
+COORDS  2.1012200000e+00 -1.6365990000e+00 -2.0859860000e+00  3.0504400000e+00 -1.7549220000e+00 -2.0511570000e+00  1.8506680000e+00 -1.9599070000e+00 -2.9513920000e+00 -2.1352660000e+00  1.6065560000e+00  2.0863880000e+00 -1.3980540000e+00  2.0406350000e+00  2.5157190000e+00 -2.9064700000e+00  2.0828010000e+00  2.3940680000e+00
+ENERGY -1.526537185355e+02
+FORCES  2.6420000000e-03 -1.8011000000e-03 -3.3692000000e-03 -3.8381000000e-03  5.1510000000e-04 -1.1060000000e-04  1.1105000000e-03  1.3010000000e-03  3.4997000000e-03  1.0580000000e-04  3.6162000000e-03  2.8721000000e-03 -3.1171000000e-03 -1.6787000000e-03 -1.6283000000e-03  3.0968000000e-03 -1.9524000000e-03 -1.2637000000e-03
+
+JOB 80
+COORDS  1.3978150000e+00  2.0714700000e+00 -2.4616140000e+00  7.7372500000e-01  1.3836430000e+00 -2.6932080000e+00  2.0648790000e+00  2.0309290000e+00 -3.1468980000e+00 -1.3520310000e+00 -2.0524790000e+00  2.5447520000e+00 -2.0807500000e+00 -1.5759740000e+00  2.9424250000e+00 -1.5862130000e+00 -2.1201970000e+00  1.6191150000e+00
+ENERGY -1.526539015922e+02
+FORCES  3.5680000000e-04 -2.9865000000e-03 -3.6945000000e-03  2.4061000000e-03  2.7850000000e-03  9.6330000000e-04 -2.7745000000e-03  1.7630000000e-04  2.7740000000e-03 -3.8549000000e-03  1.8571000000e-03 -2.0800000000e-03  2.9296000000e-03 -2.0284000000e-03 -1.6381000000e-03  9.3690000000e-04  1.9650000000e-04  3.6753000000e-03
+
+JOB 81
+COORDS  1.5338460000e+00 -3.2027890000e+00  7.8250700000e-01  9.7585600000e-01 -3.9804900000e+00  7.9020100000e-01  1.2405110000e+00 -2.7044930000e+00  1.9691000000e-02 -1.5396970000e+00  3.2102510000e+00 -7.6031300000e-01 -1.0384700000e+00  2.5569650000e+00 -2.7223600000e-01 -9.6023700000e-01  3.9706160000e+00 -8.0830000000e-01
+ENERGY -1.526541916043e+02
+FORCES -3.4764000000e-03 -1.3954000000e-03 -3.1284000000e-03  2.2961000000e-03  3.2164000000e-03 -2.3500000000e-05  1.2089000000e-03 -1.8260000000e-03  3.2047000000e-03  4.4122000000e-03  6.0470000000e-04  1.9487000000e-03 -2.0678000000e-03  2.5308000000e-03 -2.1512000000e-03 -2.3729000000e-03 -3.1305000000e-03  1.4970000000e-04
+
+JOB 82
+COORDS -4.3587400000e-01 -3.2475360000e+00  1.5134900000e+00  1.5320000000e-03 -4.0915090000e+00  1.6258190000e+00 -3.9868200000e-01 -3.0814450000e+00  5.7154400000e-01  3.8603100000e-01  3.2634490000e+00 -1.5254620000e+00  8.8758300000e-01  2.7275290000e+00 -9.1107800000e-01  2.9027700000e-01  4.1077340000e+00 -1.0847290000e+00
+ENERGY -1.526542629625e+02
+FORCES  1.7785000000e-03 -2.8712000000e-03 -3.4583000000e-03 -1.7468000000e-03  3.4704000000e-03 -4.3810000000e-04 -3.7400000000e-05 -6.3750000000e-04  3.9252000000e-03  1.5750000000e-03  1.2985000000e-03  4.4521000000e-03 -1.9914000000e-03  2.1469000000e-03 -2.6377000000e-03  4.2210000000e-04 -3.4072000000e-03 -1.8432000000e-03
+
+JOB 83
+COORDS  9.0733800000e-01  1.0159060000e+00 -3.5906550000e+00  1.4441770000e+00  3.2871300000e-01 -3.1959370000e+00  1.5304300000e+00  1.7056300000e+00 -3.8192790000e+00 -9.9937600000e-01 -1.0641240000e+00  3.5495080000e+00 -6.5483000000e-02 -1.0102140000e+00  3.7524140000e+00 -1.3782890000e+00 -2.8372100000e-01  3.9540170000e+00
+ENERGY -1.526539724218e+02
+FORCES  4.6470000000e-03 -1.1110000000e-04  7.2260000000e-04 -2.1009000000e-03  2.8744000000e-03 -1.6555000000e-03 -2.5346000000e-03 -2.7816000000e-03  9.5220000000e-04  2.1513000000e-03  3.4856000000e-03  2.4170000000e-03 -3.7507000000e-03 -2.5300000000e-04 -8.4930000000e-04  1.5879000000e-03 -3.2142000000e-03 -1.5869000000e-03
+
+JOB 84
+COORDS  2.7558300000e+00 -2.1997050000e+00  1.5351490000e+00  2.4068480000e+00 -2.2544030000e+00  2.4247850000e+00  2.8264670000e+00 -3.1102910000e+00  1.2486600000e+00 -2.7663640000e+00  2.2189540000e+00 -1.6147330000e+00 -1.8465870000e+00  2.4783830000e+00 -1.5605340000e+00 -3.1723660000e+00  2.6114530000e+00 -8.4185600000e-01
+ENERGY -1.526541866811e+02
+FORCES -1.1755000000e-03 -4.0469000000e-03  2.3926000000e-03  1.4308000000e-03  2.8860000000e-04 -3.6039000000e-03 -2.4990000000e-04  3.7237000000e-03  1.2095000000e-03  2.2805000000e-03  2.5638000000e-03  3.3928000000e-03 -3.8639000000e-03 -9.4710000000e-04 -2.5520000000e-04  1.5780000000e-03 -1.5821000000e-03 -3.1358000000e-03
+
+JOB 85
+COORDS -1.2041610000e+00  1.7225450000e+00 -3.4250560000e+00 -9.7194300000e-01  2.3275000000e+00 -4.1295670000e+00 -1.8090270000e+00  1.1018330000e+00 -3.8313620000e+00  1.2621380000e+00 -1.7546320000e+00  3.5418780000e+00  6.6533600000e-01 -1.0140610000e+00  3.6496450000e+00  1.2526590000e+00 -1.9356890000e+00  2.6020060000e+00
+ENERGY -1.526543429100e+02
+FORCES -1.5322000000e-03  3.8900000000e-05 -4.6520000000e-03 -9.5720000000e-04 -2.4926000000e-03  2.8852000000e-03  2.4869000000e-03  2.4903000000e-03  1.7249000000e-03 -2.4746000000e-03  2.4166000000e-03 -3.5271000000e-03  2.4164000000e-03 -3.0630000000e-03 -3.2190000000e-04  6.0800000000e-05  6.0980000000e-04  3.8909000000e-03
+
+JOB 86
+COORDS  3.1192050000e+00  1.9933500000e+00  2.0011880000e+00  2.1797750000e+00  1.8271210000e+00  2.0791040000e+00  3.4862340000e+00  1.6903020000e+00  2.8316600000e+00 -3.0959880000e+00 -1.9274280000e+00 -2.0047660000e+00 -3.3799270000e+00 -2.8408800000e+00 -1.9699120000e+00 -2.6724110000e+00 -1.8401960000e+00 -2.8587020000e+00
+ENERGY -1.526542298941e+02
+FORCES -2.4655000000e-03 -1.9468000000e-03  3.6581000000e-03  3.9263000000e-03  7.2120000000e-04 -2.6070000000e-04 -1.4435000000e-03  1.2385000000e-03 -3.3668000000e-03  5.7900000000e-04 -3.3622000000e-03 -3.4329000000e-03  1.1580000000e-03  3.7232000000e-03 -1.0480000000e-04 -1.7543000000e-03 -3.7380000000e-04  3.5071000000e-03
+
+JOB 87
+COORDS -3.2331510000e+00  4.4690600000e-01 -3.9451550000e+00 -3.4811100000e+00  3.2739100000e-01 -3.0283870000e+00 -3.4648630000e+00 -3.8084400000e-01 -4.3663090000e+00  3.3092180000e+00 -4.0463200000e-01  3.8751830000e+00  3.3778230000e+00  2.2177200000e-01  4.5956990000e+00  2.4143490000e+00 -7.3949700000e-01  3.9326950000e+00
+ENERGY -1.526540095104e+02
+FORCES -1.9052000000e-03 -3.8769000000e-03  1.9954000000e-03  9.8870000000e-04  4.9270000000e-04 -3.7162000000e-03  9.2260000000e-04  3.3826000000e-03  1.7308000000e-03 -3.3383000000e-03  1.2315000000e-03  3.1616000000e-03 -2.9360000000e-04 -2.5743000000e-03 -2.9330000000e-03  3.6258000000e-03  1.3445000000e-03 -2.3860000000e-04
+
+JOB 88
+COORDS -3.9677370000e+00 -8.3024500000e-01  3.5172620000e+00 -3.1290280000e+00 -6.3326400000e-01  3.9343920000e+00 -4.6234820000e+00 -5.9263700000e-01  4.1728330000e+00  3.8984900000e+00  7.9049300000e-01 -3.5914060000e+00  4.2376290000e+00  7.4661800000e-01 -2.6973750000e+00  4.6246730000e+00  1.1419120000e+00 -4.1065710000e+00
+ENERGY -1.526539911666e+02
+FORCES  7.4800000000e-04  1.7830000000e-03  4.3329000000e-03 -3.4170000000e-03 -8.0740000000e-04 -1.6764000000e-03  2.6783000000e-03 -9.7320000000e-04 -2.6646000000e-03  4.3126000000e-03  1.2359000000e-03  1.5413000000e-03 -1.3646000000e-03  1.9110000000e-04 -3.6396000000e-03 -2.9574000000e-03 -1.4295000000e-03  2.1065000000e-03
+
+JOB 89
+COORDS -2.8454300000e+00  2.5444130000e+00  5.1421530000e+00 -3.1563990000e+00  3.0733300000e+00  5.8768490000e+00 -2.3178380000e+00  3.1475420000e+00  4.6185940000e+00  2.8189570000e+00 -2.5561720000e+00 -5.1575070000e+00  2.8722350000e+00 -3.0953130000e+00 -4.3683800000e+00  3.0536780000e+00 -3.1502890000e+00 -5.8703630000e+00
+ENERGY -1.526540958481e+02
+FORCES  8.8500000000e-04  4.6284000000e-03  8.2800000000e-04  1.2671000000e-03 -2.1628000000e-03 -2.9852000000e-03 -2.1529000000e-03 -2.4614000000e-03  2.1584000000e-03  1.1478000000e-03 -4.6346000000e-03  3.3200000000e-04 -1.9850000000e-04  2.2022000000e-03 -3.2321000000e-03 -9.4840000000e-04  2.4282000000e-03  2.8988000000e-03
+
+JOB 0
+COORDS  3.9774100000e-01  5.8474100000e-01  1.1637770000e+00 -1.2712100000e-01 -4.7280000000e-02  1.6550020000e+00  3.9872000000e-01  2.5031200000e-01  2.6690000000e-01 -3.3225600000e-01 -5.1126800000e-01 -1.0906070000e+00 -4.4959100000e-01 -1.4064440000e+00 -1.4086080000e+00 -8.5358300000e-01  2.5677000000e-02 -1.6873820000e+00
+ENERGY -1.526573766906e+02
+FORCES -7.2459000000e-03 -1.0720500000e-02 -1.4682400000e-02  1.4389000000e-03  1.3658000000e-03  9.0800000000e-05  2.5973000000e-03  4.3557000000e-03  2.8101000000e-03  1.8667000000e-03  4.1539000000e-03  8.3224000000e-03 -1.2300000000e-03  4.9284000000e-03  1.1061000000e-03  2.5731000000e-03 -4.0833000000e-03  2.3530000000e-03
+
+JOB 1
+COORDS  6.5282300000e-01  4.0414400000e-01  1.0837670000e+00  1.5327870000e+00  3.8269800000e-01  7.0768900000e-01  6.5949500000e-01 -2.8367200000e-01  1.7494220000e+00 -7.0327900000e-01 -3.6803600000e-01 -1.1695310000e+00  5.6387000000e-02 -2.0710300000e-01 -6.0985200000e-01 -1.4330050000e+00 -4.7362900000e-01 -5.5913600000e-01
+ENERGY -1.526554951729e+02
+FORCES  1.4060000000e-04 -2.9016000000e-03 -4.8550000000e-04 -7.7234000000e-03 -2.1620000000e-03 -1.5652000000e-03 -6.2600000000e-04  3.4198000000e-03 -4.3239000000e-03  3.7829000000e-03  5.4044000000e-03  1.6258600000e-02  4.1604000000e-03 -2.5089000000e-03 -7.1708000000e-03  2.6550000000e-04 -1.2518000000e-03 -2.7132000000e-03
+
+JOB 2
+COORDS -7.3377100000e-01 -9.2062400000e-01 -5.9914000000e-01 -8.2900400000e-01 -1.2758110000e+00  2.8460500000e-01 -1.5879220000e+00 -1.0612700000e+00 -1.0076450000e+00  7.7530600000e-01  9.3326000000e-01  6.2964500000e-01  2.8601400000e-01  7.0447300000e-01 -1.6059700000e-01  1.5064260000e+00  1.4643010000e+00  3.1390600000e-01
+ENERGY -1.526602753947e+02
+FORCES  1.8790000000e-04 -5.3180000000e-04  6.2133000000e-03 -1.5019000000e-03  8.1880000000e-04 -5.6016000000e-03  3.8920000000e-03  9.8360000000e-04  2.4868000000e-03 -4.3692000000e-03 -5.2912000000e-03 -7.0759000000e-03  5.0437000000e-03  6.3731000000e-03  4.6584000000e-03 -3.2524000000e-03 -2.3524000000e-03 -6.8110000000e-04
+
+JOB 3
+COORDS -3.2879000000e-02  9.8946900000e-01  8.4461100000e-01  6.9767000000e-01  1.2040610000e+00  1.4246810000e+00 -5.2112800000e-01  1.8084770000e+00  7.6052100000e-01  1.4130000000e-03 -1.0562430000e+00 -9.3433500000e-01 -6.4209000000e-02 -1.6507130000e+00 -1.8698500000e-01  3.9081500000e-01 -2.5960000000e-01 -5.7383900000e-01
+ENERGY -1.526574687667e+02
+FORCES -2.4394000000e-03  5.3220000000e-04 -1.9035000000e-03 -3.4685000000e-03 -2.1855000000e-03 -4.1142000000e-03  3.2451000000e-03 -3.7242000000e-03  1.3045000000e-03 -1.3374000000e-03  9.6570000000e-03  1.2440000000e-02  6.9810000000e-04  1.2950000000e-04 -2.5878000000e-03  3.3022000000e-03 -4.4091000000e-03 -5.1390000000e-03
+
+JOB 4
+COORDS -5.7434300000e-01  8.5423900000e-01 -9.3216000000e-01 -4.2533400000e-01  2.6738000000e-02 -4.7469900000e-01 -1.4111770000e+00  7.3313500000e-01 -1.3807970000e+00  5.7158900000e-01 -7.4372500000e-01  9.5102200000e-01  1.4245020000e+00 -9.7058900000e-01  1.3215670000e+00  4.3964700000e-01 -1.3780470000e+00  2.4642300000e-01
+ENERGY -1.526507042953e+02
+FORCES  2.0287000000e-03 -3.2344000000e-03  7.2533000000e-03 -1.1992000000e-03 -6.4344000000e-03 -5.6882000000e-03  3.7926000000e-03 -1.2985000000e-03  2.8709000000e-03  4.0430000000e-03  1.1947000000e-03 -3.2036000000e-03 -4.3091000000e-03  2.5700000000e-04 -1.3298000000e-03 -4.3559000000e-03  9.5156000000e-03  9.7400000000e-05
+
+JOB 5
+COORDS -9.2019000000e-01  7.2689300000e-01  8.2577900000e-01 -1.7906600000e-01  5.9998000000e-01  2.3344400000e-01 -1.5363510000e+00  3.2904000000e-02  5.9135100000e-01  8.8286600000e-01 -6.2536400000e-01 -7.6721900000e-01  9.0717700000e-01 -1.1868690000e+00 -1.5420430000e+00  1.4528820000e+00 -1.0635490000e+00 -1.3531100000e-01
+ENERGY -1.526592121110e+02
+FORCES  5.7603000000e-03 -8.5591000000e-03 -1.0036300000e-02 -1.3272000000e-03  4.1700000000e-03  5.7332000000e-03 -1.3200000000e-05  2.0320000000e-03  1.7417000000e-03 -1.6912000000e-03 -9.6990000000e-04  1.7610000000e-03  2.4870000000e-04  1.2198000000e-03  4.5720000000e-03 -2.9774000000e-03  2.1072000000e-03 -3.7717000000e-03
+
+JOB 6
+COORDS -1.1761810000e+00 -7.8443100000e-01 -1.6676500000e-01 -9.4280600000e-01  8.8048000000e-02  1.5032600000e-01 -7.5625300000e-01 -8.4829100000e-01 -1.0245610000e+00  1.1139230000e+00  6.9876300000e-01  2.4399600000e-01  1.4039880000e+00  1.6107220000e+00  2.6460800000e-01  1.2705790000e+00  4.1741700000e-01 -6.5741200000e-01
+ENERGY -1.526538048437e+02
+FORCES  1.0378900000e-02  7.7775000000e-03  1.3400000000e-03 -6.0269000000e-03 -2.5433000000e-03 -2.4070000000e-03  2.9610000000e-04  2.2620000000e-04  1.8980000000e-03  1.8049000000e-03 -2.0563000000e-03 -3.9353000000e-03 -3.2039000000e-03 -4.7975000000e-03 -2.2750000000e-04 -3.2492000000e-03  1.3934000000e-03  3.3318000000e-03
+
+JOB 7
+COORDS -3.6241000000e-02 -6.9627200000e-01  1.1503240000e+00  4.2280700000e-01 -1.4791980000e+00  8.4613000000e-01 -8.9605500000e-01 -1.0140740000e+00  1.4259210000e+00  2.7052000000e-02  7.7461500000e-01 -1.2146390000e+00 -2.0639700000e-01  1.1799300000e-01 -5.5845300000e-01  7.5035200000e-01  1.2617350000e+00 -8.1994600000e-01
+ENERGY -1.526592638580e+02
+FORCES -3.6340000000e-04 -2.0671000000e-03  4.0210000000e-04 -3.5223000000e-03  5.5132000000e-03 -3.4090000000e-04  4.6653000000e-03  1.6202000000e-03 -3.2165000000e-03  1.4053000000e-03 -4.5511000000e-03  1.4712700000e-02 -1.0138000000e-03  2.3080000000e-04 -9.0121000000e-03 -1.1711000000e-03 -7.4600000000e-04 -2.5453000000e-03
+
+JOB 8
+COORDS  7.7063300000e-01 -7.8467500000e-01 -8.5442800000e-01  1.3808580000e+00 -1.4924600000e+00 -6.4731000000e-01  2.8530000000e-03 -9.6316200000e-01 -3.1139200000e-01 -7.0034900000e-01  8.0230000000e-01  7.9912000000e-01 -1.3329290000e+00  1.1270570000e+00  1.5833300000e-01 -1.0982290000e+00  9.9507900000e-01  1.6480950000e+00
+ENERGY -1.526547775352e+02
+FORCES -3.7281000000e-03  2.3121000000e-03  8.3779000000e-03 -2.4367000000e-03  2.8554000000e-03  3.2990000000e-04  1.9433000000e-03 -3.6886000000e-03 -6.0426000000e-03 -8.7730000000e-04  3.2404000000e-03 -2.0980000000e-03  2.4948000000e-03 -3.2500000000e-03  3.5906000000e-03  2.6040000000e-03 -1.4693000000e-03 -4.1578000000e-03
+
+JOB 9
+COORDS -1.3065190000e+00 -3.9958600000e-01 -4.6187900000e-01 -3.8467900000e-01 -1.6412100000e-01 -3.5700500000e-01 -1.3872010000e+00 -1.2508820000e+00 -3.1742000000e-02  1.2121220000e+00  4.3334100000e-01  3.9390500000e-01  1.8909350000e+00 -2.3882000000e-01  4.5426700000e-01  1.4463600000e+00  1.0721180000e+00  1.0672010000e+00
+ENERGY -1.526597307023e+02
+FORCES  1.0894700000e-02  2.2030000000e-03  5.5884000000e-03 -6.6089000000e-03 -4.5281000000e-03 -4.4696000000e-03  7.9930000000e-04  2.2089000000e-03 -1.2346000000e-03 -1.9655000000e-03  1.0773000000e-03  2.7237000000e-03 -4.1809000000e-03  2.9228000000e-03  2.2250000000e-04  1.0613000000e-03 -3.8840000000e-03 -2.8305000000e-03
+
+JOB 10
+COORDS -1.4028810000e+00  2.8042000000e-02  4.7483000000e-02 -1.1947460000e+00 -1.7915500000e-01  9.5851500000e-01 -1.6643740000e+00  9.4867500000e-01  6.4456000000e-02  1.4225370000e+00 -1.3218000000e-01 -9.5244000000e-02  6.2989100000e-01  1.4674900000e-01 -5.5365500000e-01  1.8527910000e+00  6.8428900000e-01  1.5870700000e-01
+ENERGY -1.526580660805e+02
+FORCES  1.9058000000e-03 -8.3900000000e-05  6.9778000000e-03 -2.7403000000e-03  2.1727000000e-03 -4.2569000000e-03  3.7885000000e-03 -3.9100000000e-03 -7.5700000000e-04 -8.5825000000e-03  3.0543000000e-03 -2.1537000000e-03  8.6976000000e-03  1.3420000000e-03  5.0560000000e-04 -3.0690000000e-03 -2.5750000000e-03 -3.1580000000e-04
+
+JOB 11
+COORDS -5.6404700000e-01 -2.0937100000e-01 -1.2606430000e+00  2.7710500000e-01 -1.0004000000e-01 -1.7041990000e+00 -1.0111040000e+00  6.2795700000e-01 -1.3841480000e+00  5.9863200000e-01  1.2636700000e-01  1.2881960000e+00 -1.3625300000e-01  1.6025300000e-01  6.7580200000e-01  3.2531100000e-01  6.7717400000e-01  2.0217760000e+00
+ENERGY -1.526587422062e+02
+FORCES  5.6337000000e-03  2.2234000000e-03 -3.3039000000e-03 -5.1977000000e-03 -5.7400000000e-05  1.1704000000e-03  2.7901000000e-03 -3.8802000000e-03  4.1330000000e-03 -5.6169000000e-03 -1.7021000000e-03 -6.4033000000e-03  2.9094000000e-03  4.8693000000e-03  8.7391000000e-03 -5.1850000000e-04 -1.4530000000e-03 -4.3352000000e-03
+
+JOB 12
+COORDS -3.4466700000e-01  3.5591600000e-01 -1.2593860000e+00  4.1272300000e-01  3.7846000000e-01 -1.8442640000e+00 -1.0928820000e+00  5.3595200000e-01 -1.8285910000e+00  3.2751400000e-01 -3.5607000000e-01  1.3816860000e+00  1.2194240000e+00 -6.3223400000e-01  1.1708270000e+00 -1.1920000000e-01 -3.2115800000e-01  5.3583800000e-01
+ENERGY -1.526593828930e+02
+FORCES  1.2431000000e-03  9.2890000000e-04 -9.3030000000e-04 -3.9636000000e-03 -3.4580000000e-04  2.2822000000e-03  4.2916000000e-03 -5.7940000000e-04  1.9716000000e-03 -9.7040000000e-04  2.1071000000e-03 -1.1514400000e-02 -2.1777000000e-03  1.0061000000e-03  3.6680000000e-04  1.5771000000e-03 -3.1169000000e-03  7.8242000000e-03
+
+JOB 13
+COORDS  5.8776800000e-01 -1.0128140000e+00 -8.5864500000e-01  3.3363200000e-01 -6.7444600000e-01 -6.8000000000e-05 -1.3702800000e-01 -1.5825180000e+00 -1.1162130000e+00 -6.0247300000e-01  1.0325950000e+00  8.0703500000e-01 -2.4741400000e-01  6.2296700000e-01  1.5959390000e+00  1.6880800000e-01  1.3122490000e+00  3.1393100000e-01
+ENERGY -1.526548872418e+02
+FORCES -9.6072000000e-03  3.0167000000e-03  4.3077000000e-03  6.6975000000e-03 -6.4420000000e-04 -3.3290000000e-04  3.1297000000e-03  1.3129000000e-03  8.2580000000e-04  4.4091000000e-03  2.7664000000e-03 -1.3376000000e-03 -9.9740000000e-04 -1.9297000000e-03 -7.3290000000e-03 -3.6317000000e-03 -4.5221000000e-03  3.8660000000e-03
+
+JOB 14
+COORDS -1.2450370000e+00  5.0101900000e-01  6.2165100000e-01 -3.4519500000e-01  6.3331000000e-01  3.2329500000e-01 -1.2084140000e+00 -2.9770600000e-01  1.1478910000e+00  1.1136640000e+00 -4.6922700000e-01 -5.9771700000e-01  1.5236690000e+00  3.7031500000e-01 -8.0579800000e-01  1.7013180000e+00 -1.1235030000e+00 -9.7562900000e-01
+ENERGY -1.526550461159e+02
+FORCES  9.1543000000e-03 -8.6578000000e-03 -2.8112000000e-03 -5.3560000000e-04  6.3258000000e-03  3.9190000000e-04 -2.2846000000e-03  2.6908000000e-03 -1.4380000000e-04  9.3810000000e-04 -3.5480000000e-04 -2.2105000000e-03 -4.7731000000e-03 -3.3004000000e-03  3.2465000000e-03 -2.4991000000e-03  3.2964000000e-03  1.5271000000e-03
+
+JOB 15
+COORDS -1.0495110000e+00 -7.8086800000e-01 -5.6638600000e-01 -1.1854160000e+00 -1.1554710000e+00  3.0392100000e-01 -1.7002230000e+00 -8.1853000000e-02 -6.3107300000e-01  1.1121290000e+00  7.9937700000e-01  5.8245000000e-01  5.4613300000e-01  2.9875000000e-02  5.2123600000e-01  1.3590560000e+00  9.8829600000e-01 -3.2285000000e-01
+ENERGY -1.526569203793e+02
+FORCES -4.4783000000e-03  3.6501000000e-03  2.2274000000e-03  4.9228000000e-03  4.2893000000e-03 -3.4941000000e-03  3.1012000000e-03 -3.9420000000e-03  1.4080000000e-04 -6.0847000000e-03 -6.1120000000e-03 -9.4233000000e-03  2.1084000000e-03  8.3880000000e-04  7.2947000000e-03  4.3050000000e-04  1.2758000000e-03  3.2546000000e-03
+
+JOB 16
+COORDS -9.9570900000e-01 -3.0524200000e-01  9.0722700000e-01 -1.8366930000e+00  4.9708000000e-02  1.1953040000e+00 -9.7683000000e-01 -1.1945800000e+00  1.2607170000e+00  1.0832350000e+00  2.8385600000e-01 -9.5433300000e-01  5.3382900000e-01  4.9539300000e-01 -1.9959000000e-01  9.3656500000e-01  1.0042130000e+00 -1.5673630000e+00
+ENERGY -1.526592596025e+02
+FORCES -1.0859000000e-03 -3.8530000000e-03  1.1770000000e-04  3.6766000000e-03 -1.9007000000e-03 -1.5063000000e-03 -1.5446000000e-03  4.3583000000e-03 -5.9820000000e-04 -7.6854000000e-03  6.9160000000e-04  4.6326000000e-03  6.8927000000e-03  2.8355000000e-03 -5.0706000000e-03 -2.5340000000e-04 -2.1317000000e-03  2.4249000000e-03
+
+JOB 17
+COORDS -1.4285400000e-01 -7.0389000000e-01 -1.3346970000e+00 -1.0818460000e+00 -8.0701600000e-01 -1.1801350000e+00  1.4979600000e-01 -1.0779600000e-01 -6.4530600000e-01  1.9452300000e-01  6.2517900000e-01  1.2319610000e+00  3.1252000000e-02  4.6755800000e-01  2.1618700000e+00  1.4894100000e-01  1.5766850000e+00  1.1382090000e+00
+ENERGY -1.526594391280e+02
+FORCES -1.7846000000e-03  3.2941000000e-03  1.0343400000e-02  2.2661000000e-03 -1.5470000000e-04 -1.5225000000e-03  1.6100000000e-05  4.1800000000e-05 -8.2901000000e-03 -7.7380000000e-04 -2.4270000000e-04  3.8155000000e-03  4.0050000000e-04  2.4182000000e-03 -3.7998000000e-03 -1.2440000000e-04 -5.3568000000e-03 -5.4650000000e-04
+
+JOB 18
+COORDS  1.7421800000e-01 -3.7565700000e-01 -1.3415870000e+00  4.0307800000e-01 -1.2285730000e+00 -1.7108960000e+00  2.3926400000e-01  2.3061600000e-01 -2.0794450000e+00 -2.1491200000e-01  4.5419000000e-01  1.4133020000e+00  2.9290900000e-01  6.8659000000e-02  6.9935900000e-01 -3.2533800000e-01 -2.5928100000e-01  2.0417900000e+00
+ENERGY -1.526589985844e+02
+FORCES -7.4070000000e-04  9.8930000000e-04 -4.2077000000e-03 -1.0118000000e-03  4.0382000000e-03  2.0927000000e-03 -6.2300000000e-05 -3.8107000000e-03  2.6073000000e-03  1.1694000000e-03 -4.9016000000e-03 -6.9062000000e-03  7.9500000000e-05  1.8685000000e-03  9.0382000000e-03  5.6600000000e-04  1.8162000000e-03 -2.6242000000e-03
+
+JOB 19
+COORDS -4.3243400000e-01 -1.3841860000e+00  4.4945500000e-01  1.5415800000e-01 -8.2756200000e-01 -6.2708000000e-02 -1.2485300000e+00 -1.3969610000e+00 -5.0600000000e-02  4.7259200000e-01  1.3095440000e+00 -3.4245300000e-01 -2.9977200000e-01  1.1987490000e+00 -8.9689900000e-01  8.2864000000e-01  2.1615940000e+00 -5.9438800000e-01
+ENERGY -1.526555531834e+02
+FORCES  2.0501000000e-03  5.4596000000e-03 -2.6567000000e-03 -5.4750000000e-03 -5.2240000000e-03 -4.3460000000e-04  3.1379000000e-03  1.4375000000e-03  1.2446000000e-03 -1.5155000000e-03  4.3689000000e-03 -1.5536000000e-03  4.4972000000e-03 -2.4759000000e-03  2.1424000000e-03 -2.6946000000e-03 -3.5662000000e-03  1.2580000000e-03
+
+JOB 20
+COORDS -7.8967000000e-02  1.1185980000e+00 -1.0514530000e+00 -1.0542900000e-01  2.1050300000e-01 -7.4996400000e-01 -8.8755900000e-01  1.5062880000e+00 -7.1662800000e-01  7.0851000000e-02 -1.0984820000e+00  1.0013420000e+00  8.7950500000e-01 -1.5737460000e+00  8.1046700000e-01  3.4616300000e-01 -3.7046400000e-01  1.5584990000e+00
+ENERGY -1.526601151646e+02
+FORCES -4.1333000000e-03 -6.5633000000e-03  5.0364000000e-03  1.6596000000e-03  6.6761000000e-03 -5.4905000000e-03  3.1499000000e-03 -6.0640000000e-04 -6.5180000000e-04  5.2706000000e-03  1.2270000000e-03  4.2350000000e-03 -4.0916000000e-03  3.0387000000e-03 -1.1630000000e-04 -1.8551000000e-03 -3.7720000000e-03 -3.0128000000e-03
+
+JOB 21
+COORDS  4.0401100000e-01  1.3008000000e-02 -1.5295550000e+00  6.3352600000e-01 -8.2358400000e-01 -1.1249940000e+00  1.1412800000e-01  5.6081700000e-01 -8.0010000000e-01 -4.3391600000e-01 -2.9720000000e-02  1.4137770000e+00 -5.4356400000e-01  9.0147100000e-01  1.6063710000e+00  2.5762000000e-01 -3.1817800000e-01  2.0094290000e+00
+ENERGY -1.526571362491e+02
+FORCES -2.7796000000e-03 -3.0196000000e-03  1.0236100000e-02  1.2519000000e-03  1.4453000000e-03 -3.4457000000e-03  1.4720000000e-03  3.1457000000e-03 -5.0890000000e-03  1.7749000000e-03  1.5940000000e-03  4.9176000000e-03  1.4492000000e-03 -4.3339000000e-03 -3.2482000000e-03 -3.1684000000e-03  1.1685000000e-03 -3.3709000000e-03
+
+JOB 22
+COORDS -9.7632100000e-01 -1.0273090000e+00  5.9020300000e-01 -6.6272100000e-01 -4.5113500000e-01 -1.0687000000e-01 -1.5263460000e+00 -1.6694760000e+00  1.4151000000e-01  9.3999400000e-01  1.0162560000e+00 -4.8640900000e-01  1.2619710000e+00  4.3627400000e-01 -1.1764700000e+00  1.4413840000e+00  1.8239070000e+00 -5.9838700000e-01
+ENERGY -1.526567967039e+02
+FORCES  7.2580000000e-04  3.6496000000e-03 -3.4326000000e-03 -2.9945000000e-03 -7.4486000000e-03  3.9780000000e-04  2.8534000000e-03  2.8101000000e-03  1.0233000000e-03  4.8501000000e-03  2.9065000000e-03 -1.2298000000e-03 -4.1928000000e-03  2.0979000000e-03  3.1941000000e-03 -1.2420000000e-03 -4.0155000000e-03  4.7100000000e-05
+
+JOB 23
+COORDS  6.9221000000e-02  1.5009570000e+00  1.0792000000e-02  7.3016000000e-01  2.0898980000e+00  3.7485200000e-01  3.9722000000e-01  1.2819550000e+00 -8.6138200000e-01 -1.8922300000e-01 -1.5354780000e+00  3.0550000000e-03  5.2113600000e-01 -2.1372170000e+00  2.2561600000e-01  1.8013900000e-01 -6.6429400000e-01  1.4742000000e-01
+ENERGY -1.526586021632e+02
+FORCES  2.1306000000e-03  5.6729000000e-03 -2.8043000000e-03 -2.9016000000e-03 -3.3019000000e-03 -2.0574000000e-03 -5.8130000000e-04 -1.4907000000e-03  6.6609000000e-03  2.4926000000e-03  4.7755000000e-03  3.3501000000e-03 -2.1666000000e-03  3.0600000000e-03 -8.2760000000e-04  1.0263000000e-03 -8.7159000000e-03 -4.3217000000e-03
+
+JOB 24
+COORDS -2.5084800000e-01  1.5290470000e+00  2.2110500000e-01  5.5195700000e-01  2.0036750000e+00  4.3666200000e-01  5.1269000000e-02  6.7733400000e-01 -9.4400000000e-02  1.2966900000e-01 -1.5239240000e+00 -2.0283500000e-01  8.8687200000e-01 -1.4139610000e+00  3.7230200000e-01  4.6886500000e-01 -1.3531280000e+00 -1.0814740000e+00
+ENERGY -1.526560182126e+02
+FORCES  2.0866000000e-03 -5.3802000000e-03 -4.2450000000e-04 -2.5687000000e-03 -3.1987000000e-03 -8.6630000000e-04  2.7715000000e-03  8.2335000000e-03 -2.4540000000e-04  3.9857000000e-03 -4.3804000000e-03 -5.1970000000e-04 -4.2324000000e-03  2.2546000000e-03 -3.8518000000e-03 -2.0427000000e-03  2.4712000000e-03  5.9078000000e-03
+
+JOB 25
+COORDS -1.5988940000e+00  6.9918000000e-02 -1.1752600000e-01 -1.2573020000e+00 -8.1683200000e-01 -2.5420000000e-03 -8.2652800000e-01  6.0153600000e-01 -3.1004900000e-01  1.5270310000e+00 -1.0536000000e-02  8.0163000000e-02  1.4411600000e+00 -9.6323500000e-01  4.5204000000e-02  1.8789730000e+00  1.6685400000e-01  9.5246000000e-01
+ENERGY -1.526573870372e+02
+FORCES  9.1598000000e-03 -6.0810000000e-04 -2.4600000000e-05 -1.6766000000e-03  1.1476000000e-03 -1.9940000000e-04 -6.9893000000e-03 -4.2550000000e-04 -2.2240000000e-04  2.6363000000e-03 -3.3585000000e-03  4.3611000000e-03 -1.4896000000e-03  4.3644000000e-03  2.3570000000e-04 -1.6406000000e-03 -1.1198000000e-03 -4.1503000000e-03
+
+JOB 26
+COORDS  1.0611480000e+00 -2.4467400000e-01  1.1476890000e+00  3.3113400000e-01 -7.0736900000e-01  7.3632000000e-01  1.8350710000e+00 -5.4632800000e-01  6.7199900000e-01 -1.1000030000e+00  2.3782800000e-01 -1.0707050000e+00 -5.7962300000e-01  2.8988000000e-01 -1.8724080000e+00 -1.0186800000e+00  1.1056230000e+00 -6.7504100000e-01
+ENERGY -1.526584815594e+02
+FORCES -2.5939000000e-03 -3.4983000000e-03 -5.8323000000e-03  5.3805000000e-03  7.0800000000e-04  4.9240000000e-03 -2.6737000000e-03  1.4320000000e-03  1.4393000000e-03  3.1372000000e-03  6.0704000000e-03 -1.4195000000e-03 -1.8767000000e-03 -6.7860000000e-04  3.4840000000e-03 -1.3734000000e-03 -4.0335000000e-03 -2.5955000000e-03
+
+JOB 27
+COORDS -1.3175920000e+00  7.4480600000e-01  3.6008800000e-01 -3.8295500000e-01  9.4556700000e-01  4.0888600000e-01 -1.6720310000e+00  1.0474420000e+00  1.1961600000e+00  1.3098370000e+00 -7.2756700000e-01 -4.4992000000e-01  3.8507200000e-01 -9.7462300000e-01 -4.4774700000e-01  1.7266310000e+00 -1.3526530000e+00  1.4319300000e-01
+ENERGY -1.526597129584e+02
+FORCES  3.1497000000e-03  3.6305000000e-03  3.3789000000e-03 -7.0499000000e-03 -1.7147000000e-03  3.6490000000e-04  1.9722000000e-03 -1.1194000000e-03 -3.1647000000e-03 -2.8470000000e-03 -5.6054000000e-03  1.1859000000e-03  6.6721000000e-03  2.1062000000e-03  4.2730000000e-04 -1.8972000000e-03  2.7027000000e-03 -2.1924000000e-03
+
+JOB 28
+COORDS  9.4533500000e-01 -5.3683400000e-01 -1.0795800000e+00  7.9173100000e-01  3.3574600000e-01 -1.4418530000e+00  6.5384700000e-01 -1.1365290000e+00 -1.7663350000e+00 -9.0908300000e-01  5.4809600000e-01  1.0927920000e+00 -3.3740600000e-01 -1.0763100000e-01  1.4920910000e+00 -1.6468390000e+00  6.2373800000e-01  1.6979580000e+00
+ENERGY -1.526558569528e+02
+FORCES -4.4054000000e-03  3.0895000000e-03 -3.4026000000e-03  2.3276000000e-03 -4.0152000000e-03 -2.2100000000e-04  1.2545000000e-03  2.1453000000e-03  2.6251000000e-03  1.7507000000e-03 -4.1090000000e-03  2.8663000000e-03 -3.8648000000e-03  3.6709000000e-03  1.1641000000e-03  2.9375000000e-03 -7.8150000000e-04 -3.0318000000e-03
+
+JOB 29
+COORDS  1.7041400000e-01 -7.0810400000e-01 -1.3196120000e+00 -4.8410500000e-01 -4.4033600000e-01 -1.9646990000e+00  1.0087620000e+00 -5.9707000000e-01 -1.7680270000e+00 -2.2252600000e-01  6.5470500000e-01  1.4262840000e+00  2.4023200000e-01  1.4774880000e+00  1.5847610000e+00  5.6803000000e-02  3.8704600000e-01  5.5074600000e-01
+ENERGY -1.526604310220e+02
+FORCES -3.5050000000e-04 -1.0578000000e-03 -6.7470000000e-03  3.8920000000e-03 -1.0093000000e-03  2.8362000000e-03 -4.2209000000e-03  4.2350000000e-04  2.5687000000e-03  2.6315000000e-03 -1.2299000000e-03 -6.2157000000e-03 -1.2735000000e-03 -2.9404000000e-03 -1.3143000000e-03 -6.7860000000e-04  5.8139000000e-03  8.8721000000e-03
+
+JOB 30
+COORDS -1.1502760000e+00 -9.7315500000e-01 -2.3058300000e-01 -1.9630950000e+00 -4.7046200000e-01 -2.8402400000e-01 -1.2983230000e+00 -1.5936370000e+00  4.8308000000e-01  1.2365620000e+00  1.0360660000e+00  1.9445000000e-01  1.4250780000e+00  2.5439200000e-01 -3.2485700000e-01  4.7816900000e-01  7.9396000000e-01  7.2591700000e-01
+ENERGY -1.526578109331e+02
+FORCES -5.5043000000e-03 -1.2172000000e-03  4.4060000000e-04  3.9785000000e-03 -2.3018000000e-03  1.2211000000e-03  1.4608000000e-03  3.8422000000e-03 -2.7654000000e-03 -6.0581000000e-03 -7.5840000000e-03 -1.8987000000e-03  2.5825000000e-03  3.5116000000e-03  1.7139000000e-03  3.5406000000e-03  3.7491000000e-03  1.2884000000e-03
+
+JOB 31
+COORDS  7.3742600000e-01 -6.5821700000e-01 -1.1360230000e+00  1.5451690000e+00 -1.7461900000e-01 -9.6305800000e-01  9.9264200000e-01 -1.3354540000e+00 -1.7624780000e+00 -8.1683500000e-01  6.2397500000e-01  1.2134240000e+00 -8.2257600000e-01  5.2885800000e-01  2.6097900000e-01 -5.8019400000e-01  1.5395250000e+00  1.3617510000e+00
+ENERGY -1.526574598603e+02
+FORCES  5.1076000000e-03 -2.2810000000e-03 -8.1570000000e-04 -3.7476000000e-03 -1.4752000000e-03 -1.7982000000e-03 -4.0710000000e-04  2.9732000000e-03  2.9019000000e-03  1.2599000000e-03  4.3340000000e-04 -5.6365000000e-03 -2.2388000000e-03  3.9365000000e-03  6.1853000000e-03  2.6000000000e-05 -3.5868000000e-03 -8.3680000000e-04
+
+JOB 32
+COORDS -6.3279000000e-02 -2.5422200000e-01  1.5762580000e+00 -2.2603300000e-01 -2.6350300000e-01  6.3304200000e-01 -9.3044600000e-01 -1.5196500000e-01  1.9684290000e+00  6.6914000000e-02  2.8142900000e-01 -1.5343410000e+00  2.9074000000e-01 -2.9899900000e-01 -2.2618280000e+00  8.4993800000e-01  2.8918100000e-01 -9.8384600000e-01
+ENERGY -1.526586329177e+02
+FORCES -6.2045000000e-03  7.2550000000e-04 -3.9249000000e-03  5.5963000000e-03  3.9950000000e-04  6.3046000000e-03  3.1364000000e-03 -6.8860000000e-04 -1.1029000000e-03  5.5132000000e-03 -1.0329000000e-03 -4.3311000000e-03 -7.0650000000e-04  2.9980000000e-03  3.3306000000e-03 -7.3350000000e-03 -2.4016000000e-03 -2.7630000000e-04
+
+JOB 33
+COORDS  3.2868400000e-01  1.4946230000e+00 -2.8466100000e-01  7.4241300000e-01  1.6739970000e+00  5.5966500000e-01 -4.8015900000e-01  2.0062500000e+00 -2.6908200000e-01 -2.4493200000e-01 -1.5324280000e+00  2.5213800000e-01 -9.8282600000e-01 -1.5195370000e+00  8.6171100000e-01 -6.4676700000e-01 -1.4514120000e+00 -6.1284600000e-01
+ENERGY -1.526523080802e+02
+FORCES -4.9460000000e-04 -1.5300000000e-05  5.2804000000e-03 -1.7753000000e-03  8.0200000000e-04 -3.4802000000e-03  2.6682000000e-03 -2.9700000000e-03 -3.0610000000e-04 -3.7025000000e-03  4.4246000000e-03 -2.9776000000e-03  2.8768000000e-03  1.7140000000e-04 -1.9161000000e-03  4.2750000000e-04 -2.4127000000e-03  3.3997000000e-03
+
+JOB 34
+COORDS  6.5759100000e-01  1.3270420000e+00  7.8932100000e-01 -2.4080800000e-01  1.1701130000e+00  4.9865900000e-01  1.0417970000e+00  4.5349800000e-01  8.6373800000e-01 -5.6790800000e-01 -1.3112240000e+00 -7.6026800000e-01 -1.4708480000e+00 -1.5199300000e+00 -5.2074200000e-01 -6.3094100000e-01 -4.8219000000e-01 -1.2345690000e+00
+ENERGY -1.526561168761e+02
+FORCES -2.1784000000e-03 -7.3461000000e-03 -1.4010000000e-04  2.2284000000e-03  2.1861000000e-03 -9.6710000000e-04  7.2900000000e-05  5.4050000000e-03  5.0630000000e-04 -4.2035000000e-03  6.8760000000e-04 -3.1718000000e-03  4.2782000000e-03  1.9264000000e-03 -6.8710000000e-04 -1.9750000000e-04 -2.8589000000e-03  4.4598000000e-03
+
+JOB 35
+COORDS  1.3115570000e+00 -6.5621700000e-01  5.6139400000e-01  2.0942520000e+00 -5.1339200000e-01  1.0935790000e+00  8.2749400000e-01 -1.3395410000e+00  1.0250560000e+00 -1.3268640000e+00  7.5062100000e-01 -6.3329300000e-01 -5.6003200000e-01  2.2343800000e-01 -4.0906300000e-01 -2.0637000000e+00  1.4340800000e-01 -5.6550200000e-01
+ENERGY -1.526585819278e+02
+FORCES  4.3899000000e-03 -9.7430000000e-04  5.3718000000e-03 -3.2801000000e-03 -1.9707000000e-03 -1.8079000000e-03  8.7400000000e-04  3.8278000000e-03 -3.1038000000e-03  3.6131000000e-03 -4.0937000000e-03  1.5249000000e-03 -8.6449000000e-03  1.5177000000e-03 -2.3054000000e-03  3.0481000000e-03  1.6933000000e-03  3.2030000000e-04
+
+JOB 36
+COORDS -1.3837300000e-01  3.9571100000e-01 -1.6207160000e+00 -3.4233400000e-01  1.2240960000e+00 -1.1866540000e+00  5.4935600000e-01  5.1920000000e-03 -1.0814990000e+00  1.4765700000e-01 -4.3144800000e-01  1.6213460000e+00 -2.3259000000e-02 -1.0613670000e+00  9.2118800000e-01 -3.0933900000e-01  3.6326800000e-01  1.3460040000e+00
+ENERGY -1.526545730341e+02
+FORCES  3.8599000000e-03  3.2353000000e-03  2.9217000000e-03 -2.2500000000e-05 -4.2183000000e-03 -5.9240000000e-04 -5.1491000000e-03 -1.1300000000e-05 -1.8123000000e-03 -5.5045000000e-03 -3.5780000000e-04 -3.1760000000e-03  3.3947000000e-03  3.3876000000e-03  2.2330000000e-03  3.4215000000e-03 -2.0355000000e-03  4.2600000000e-04
+
+JOB 37
+COORDS -5.7233500000e-01  1.4744160000e+00 -5.1924000000e-02 -1.2288660000e+00  1.7177730000e+00 -7.0459300000e-01 -3.5820700000e-01  2.2956000000e+00  3.9083600000e-01  6.4440600000e-01 -1.5327910000e+00  6.4417000000e-02  5.4893000000e-02 -2.2832890000e+00  1.3830000000e-01  6.4311000000e-02 -7.8530800000e-01 -8.0466000000e-02
+ENERGY -1.526593330373e+02
+FORCES -4.3050000000e-04  6.6335000000e-03  4.1640000000e-04  2.8089000000e-03 -1.5613000000e-03  3.0501000000e-03 -1.9419000000e-03 -2.6794000000e-03 -2.6114000000e-03 -4.6822000000e-03  3.4014000000e-03  2.3770000000e-04  1.8034000000e-03  2.8948000000e-03 -4.5020000000e-04  2.4424000000e-03 -8.6890000000e-03 -6.4260000000e-04
+
+JOB 38
+COORDS -4.6250000000e-01  1.5123470000e+00  6.5006600000e-01 -1.1640570000e+00  2.0733160000e+00  3.1936400000e-01 -1.3423400000e-01  1.0564900000e+00 -1.2496100000e-01  5.2629200000e-01 -1.4708740000e+00 -6.0225500000e-01  8.1308400000e-01 -2.3673670000e+00 -4.2823400000e-01 -4.2833800000e-01 -1.5085540000e+00 -5.4315300000e-01
+ENERGY -1.526566026861e+02
+FORCES  9.2690000000e-04  2.1920000000e-04 -4.5033000000e-03  2.5676000000e-03 -2.8889000000e-03  1.2041000000e-03 -4.4523000000e-03  3.6694000000e-03  3.2609000000e-03 -1.7283000000e-03 -5.5890000000e-03  2.4772000000e-03 -1.6765000000e-03  3.2944000000e-03 -9.8560000000e-04  4.3626000000e-03  1.2949000000e-03 -1.4533000000e-03
+
+JOB 39
+COORDS -4.5389000000e-02  9.9514900000e-01  1.4050820000e+00  2.3641100000e-01  6.9830900000e-01  5.3980400000e-01 -2.9492000000e-01  1.9101090000e+00  1.2754140000e+00  2.5392000000e-02 -9.8094100000e-01 -1.4092770000e+00 -5.6873200000e-01 -1.4116190000e+00 -7.9465300000e-01  8.9681800000e-01 -1.2812820000e+00 -1.1511220000e+00
+ENERGY -1.526584323500e+02
+FORCES -1.7230000000e-04  2.6514000000e-03 -5.7480000000e-03 -4.5400000000e-05  1.5695000000e-03  7.0963000000e-03  9.9960000000e-04 -3.4125000000e-03  6.6820000000e-04 -1.1310000000e-04 -6.6163000000e-03  1.2315000000e-03  3.5039000000e-03  2.7835000000e-03 -2.9531000000e-03 -4.1728000000e-03  3.0244000000e-03 -2.9490000000e-04
+
+JOB 40
+COORDS -9.6610300000e-01 -2.7017500000e-01 -1.4045210000e+00 -1.6791730000e+00 -8.9696400000e-01 -1.2824600000e+00 -1.0515090000e+00  3.3667700000e-01 -6.6921900000e-01  9.4834600000e-01  2.8335400000e-01  1.3316130000e+00  1.2397530000e+00 -4.7693900000e-01  1.8348700000e+00  1.7389510000e+00  8.0963800000e-01  1.2124430000e+00
+ENERGY -1.526561299576e+02
+FORCES -1.2910000000e-03  4.4340000000e-04  5.8690000000e-03  2.6772000000e-03  2.0685000000e-03 -5.0960000000e-04 -2.3880000000e-03 -1.6894000000e-03 -5.4027000000e-03  5.4002000000e-03 -2.1687000000e-03  6.6140000000e-04 -1.0626000000e-03  3.3634000000e-03 -1.5172000000e-03 -3.3359000000e-03 -2.0172000000e-03  8.9920000000e-04
+
+JOB 41
+COORDS -1.0182690000e+00 -7.4167700000e-01 -1.2217910000e+00 -4.4945900000e-01 -2.1290000000e-03 -1.0078870000e+00 -6.3073400000e-01 -1.1224160000e+00 -2.0098810000e+00  9.5885600000e-01  7.6852700000e-01  1.2073410000e+00  7.9567400000e-01  9.2236500000e-01  2.1378990000e+00  1.2050690000e+00 -1.5505900000e-01  1.1563440000e+00
+ENERGY -1.526576865680e+02
+FORCES  3.2141000000e-03  3.3844000000e-03 -1.7833000000e-03 -2.7180000000e-03 -5.4529000000e-03 -3.2724000000e-03 -1.1024000000e-03  1.3297000000e-03  3.4909000000e-03 -4.7700000000e-05 -3.1140000000e-03  5.7430000000e-03  1.3273000000e-03 -8.0270000000e-04 -3.5987000000e-03 -6.7330000000e-04  4.6554000000e-03 -5.7950000000e-04
+
+JOB 42
+COORDS -9.3630500000e-01  9.7745700000e-01  1.0642120000e+00 -1.1756880000e+00  8.3558700000e-01  1.9800730000e+00 -1.6337080000e+00  5.5216200000e-01  5.6522900000e-01  9.8331900000e-01 -1.0025870000e+00 -1.1304720000e+00  5.1808000000e-01 -8.7164400000e-01 -3.0425200000e-01  1.5407800000e+00 -2.2931100000e-01 -1.2171530000e+00
+ENERGY -1.526579068537e+02
+FORCES -5.8961000000e-03  2.4080000000e-04  2.6702000000e-03  1.1227000000e-03  2.7900000000e-04 -4.3170000000e-03  4.3249000000e-03  9.2220000000e-04  2.6408000000e-03  3.8060000000e-04  5.5636000000e-03  4.5045000000e-03  1.4474000000e-03 -3.5398000000e-03 -4.8722000000e-03 -1.3796000000e-03 -3.4657000000e-03 -6.2630000000e-04
+
+JOB 43
+COORDS -3.3735000000e-02 -1.4194160000e+00 -9.5206700000e-01  8.6532900000e-01 -1.7478360000e+00 -9.4460000000e-01 -2.6339600000e-01 -1.3697630000e+00 -1.8799800000e+00 -2.0470000000e-03  1.4028730000e+00  9.4918200000e-01  5.0449900000e-01  2.1576560000e+00  1.2490880000e+00 -5.9344800000e-01  1.2067040000e+00  1.6758140000e+00
+ENERGY -1.526524982460e+02
+FORCES  3.4066000000e-03  7.8770000000e-04 -3.2893000000e-03 -3.6551000000e-03  5.9860000000e-04 -1.8230000000e-04  7.4560000000e-04 -5.1430000000e-04  3.6706000000e-03 -1.3073000000e-03  1.1094000000e-03  4.2871000000e-03 -1.7658000000e-03 -3.4653000000e-03 -1.7870000000e-03  2.5760000000e-03  1.4838000000e-03 -2.6991000000e-03
+
+JOB 44
+COORDS -2.8599700000e-01  1.8049040000e+00  1.5792000000e-02  4.6036600000e-01  1.6410410000e+00 -5.6068300000e-01 -3.4951200000e-01  1.0172250000e+00  5.5594000000e-01  2.0912100000e-01 -1.7110720000e+00  3.5950000000e-02  1.0653570000e+00 -1.5263510000e+00 -3.5001700000e-01 -7.3568000000e-02 -2.5231180000e+00 -3.8464500000e-01
+ENERGY -1.526564936906e+02
+FORCES  1.7890000000e-03 -6.1351000000e-03 -7.7100000000e-05 -2.0107000000e-03  1.0278000000e-03  1.8853000000e-03  7.4810000000e-04  6.0824000000e-03 -1.4165000000e-03  1.5690000000e-03 -4.7539000000e-03 -3.8547000000e-03 -3.8982000000e-03  5.0760000000e-04  1.7341000000e-03  1.8028000000e-03  3.2712000000e-03  1.7288000000e-03
+
+JOB 45
+COORDS  5.7389200000e-01 -1.6416190000e+00 -2.4419200000e-01  1.2504960000e+00 -1.1470930000e+00  2.1828300000e-01  6.7989300000e-01 -2.5410230000e+00  6.5755000000e-02 -6.6887800000e-01  1.7149530000e+00  2.0835000000e-01 -1.1606000000e-02  1.3618960000e+00  8.0799600000e-01 -5.0483500000e-01  1.2641550000e+00 -6.1996300000e-01
+ENERGY -1.526547014900e+02
+FORCES  3.0604000000e-03 -3.8025000000e-03  3.2743000000e-03 -3.6919000000e-03 -4.6650000000e-04 -1.9354000000e-03 -1.5990000000e-04  3.9417000000e-03 -1.2559000000e-03  2.2847000000e-03 -5.3316000000e-03 -1.5123000000e-03 -1.3265000000e-03  1.8165000000e-03 -1.9282000000e-03 -1.6680000000e-04  3.8425000000e-03  3.3576000000e-03
+
+JOB 46
+COORDS -1.1306270000e+00  1.4969910000e+00  3.8286000000e-02 -5.9816800000e-01  7.0173000000e-01  2.1610000000e-02 -7.3306800000e-01  2.0658520000e+00 -6.2093700000e-01  1.0704570000e+00 -1.4310360000e+00 -3.7318000000e-02  8.9600200000e-01 -1.4751080000e+00  9.0281800000e-01  1.3508010000e+00 -2.3158950000e+00 -2.7112100000e-01
+ENERGY -1.526577853782e+02
+FORCES  4.6809000000e-03 -2.0982000000e-03 -3.8485000000e-03 -3.8059000000e-03  5.1062000000e-03  2.2938000000e-03 -1.8737000000e-03 -1.5639000000e-03  2.5203000000e-03  1.8275000000e-03 -6.1417000000e-03  2.2009000000e-03 -4.1400000000e-05  1.0995000000e-03 -4.7470000000e-03 -7.8730000000e-04  3.5982000000e-03  1.5806000000e-03
+
+JOB 47
+COORDS  1.6435250000e+00  6.0148700000e-01  3.6894100000e-01  1.8423910000e+00  2.4672500000e-01  1.2354440000e+00  2.4659380000e+00  9.9375100000e-01  7.5688000000e-02 -1.7449510000e+00 -5.8532700000e-01 -3.5787700000e-01 -1.6896660000e+00 -1.6031300000e-01 -1.2137620000e+00 -1.0950280000e+00 -1.2870260000e+00 -3.9594800000e-01
+ENERGY -1.526545373915e+02
+FORCES  3.9306000000e-03  8.6190000000e-04  3.4395000000e-03 -4.0510000000e-04  1.0921000000e-03 -3.9448000000e-03 -3.6947000000e-03 -1.6886000000e-03  9.7730000000e-04  5.3068000000e-03  3.5320000000e-04 -3.4581000000e-03 -1.3822000000e-03 -2.0421000000e-03  2.7336000000e-03 -3.7553000000e-03  1.4235000000e-03  2.5240000000e-04
+
+JOB 48
+COORDS  1.6377430000e+00 -8.0226300000e-01  1.4228400000e-01  1.8124980000e+00  7.8658000000e-02  4.7345000000e-01  2.4585000000e+00 -1.0705790000e+00 -2.7074800000e-01 -1.6547020000e+00  7.0879000000e-01 -1.1741100000e-01 -2.5593620000e+00  9.2370500000e-01  1.0981700000e-01 -1.3675710000e+00  1.4345030000e+00 -6.7160200000e-01
+ENERGY -1.526527928801e+02
+FORCES  3.2111000000e-03  2.7753000000e-03  2.7480000000e-04  1.8190000000e-04 -3.4880000000e-03 -1.7157000000e-03 -3.6541000000e-03  1.0756000000e-03  1.5439000000e-03 -2.6825000000e-03  3.2907000000e-03 -1.9021000000e-03  3.9089000000e-03 -1.0533000000e-03 -9.2490000000e-04 -9.6530000000e-04 -2.6003000000e-03  2.7240000000e-03
+
+JOB 49
+COORDS  1.5151810000e+00  1.2189420000e+00 -4.1452000000e-02  1.4462480000e+00  1.6540350000e+00  8.0835600000e-01  9.8476200000e-01  4.2746000000e-01  5.0438000000e-02 -1.4729670000e+00 -1.1803110000e+00 -7.4047000000e-02 -2.2783600000e+00 -1.3188620000e+00  4.2432800000e-01 -7.7077500000e-01 -1.3936280000e+00  5.4048900000e-01
+ENERGY -1.526537344811e+02
+FORCES -3.8500000000e-03 -9.8430000000e-04  2.7466000000e-03  4.7480000000e-04 -2.0216000000e-03 -3.2503000000e-03  3.8821000000e-03  2.0636000000e-03  1.3969000000e-03 -2.6505000000e-03 -2.6703000000e-03  4.5220000000e-03  3.6022000000e-03  3.9940000000e-04 -2.2055000000e-03 -1.4587000000e-03  3.2131000000e-03 -3.2099000000e-03
+
+JOB 50
+COORDS  1.4876520000e+00 -1.1454640000e+00  1.5545300000e-01  7.8288100000e-01 -1.3627750000e+00  7.6562200000e-01  2.1341650000e+00 -1.8405870000e+00  2.7815700000e-01 -1.4679400000e+00  1.2597810000e+00 -1.6787400000e-01 -1.5172990000e+00  1.0354650000e+00 -1.0971090000e+00 -1.6403140000e+00  4.3564000000e-01  2.8743900000e-01
+ENERGY -1.526532319971e+02
+FORCES  5.2540000000e-04 -3.3503000000e-03  3.6310000000e-03  1.9084000000e-03  6.0780000000e-04 -2.9656000000e-03 -2.7849000000e-03  3.0604000000e-03 -6.3680000000e-04  3.9370000000e-04 -4.3776000000e-03 -2.8584000000e-03 -7.6420000000e-04  1.2349000000e-03  3.8387000000e-03  7.2170000000e-04  2.8248000000e-03 -1.0089000000e-03
+
+JOB 51
+COORDS -1.8345040000e+00  1.8112500000e-01  2.7828800000e-01 -2.3794620000e+00 -1.5126400000e-01 -4.3499300000e-01 -2.3297120000e+00 -1.9923000000e-02  1.0723790000e+00  1.9229220000e+00 -1.9147100000e-01 -2.3719200000e-01  2.2537660000e+00  3.9164000000e-01 -9.2038700000e-01  9.7213600000e-01 -1.7394000000e-01 -3.4642100000e-01
+ENERGY -1.526574359721e+02
+FORCES -5.9062000000e-03 -1.9408000000e-03  1.9205000000e-03  2.8522000000e-03  1.3888000000e-03  2.8759000000e-03  1.4843000000e-03  8.8020000000e-04 -3.7701000000e-03 -4.1510000000e-03  2.8572000000e-03 -2.2305000000e-03 -1.0950000000e-03 -2.3038000000e-03  2.3724000000e-03  6.8155000000e-03 -8.8170000000e-04 -1.1683000000e-03
+
+JOB 52
+COORDS  6.9646200000e-01 -8.9735100000e-01  1.5899580000e+00  1.5561880000e+00 -5.1715100000e-01  1.7703720000e+00  4.8235800000e-01 -5.9809500000e-01  7.0630800000e-01 -7.3161200000e-01  7.9601000000e-01 -1.5492490000e+00 -4.1448000000e-02  1.4280240000e+00 -1.3480920000e+00 -1.4996750000e+00  1.3331490000e+00 -1.7436520000e+00
+ENERGY -1.526561213821e+02
+FORCES  1.3914000000e-03  2.1655000000e-03 -3.8396000000e-03 -3.4081000000e-03 -1.0771000000e-03 -8.8820000000e-04  3.2071000000e-03 -1.1567000000e-03  5.5735000000e-03 -2.4183000000e-03  5.8334000000e-03 -1.4154000000e-03 -2.3955000000e-03 -3.8208000000e-03  1.9820000000e-04  3.6233000000e-03 -1.9444000000e-03  3.7150000000e-04
+
+JOB 53
+COORDS  1.6371280000e+00  2.2765100000e-01  1.1150630000e+00  1.5152590000e+00  4.1935200000e-01  2.0449180000e+00  1.0528940000e+00 -5.1095900000e-01  9.4372100000e-01 -1.5900780000e+00 -2.1536400000e-01 -1.2202240000e+00 -1.5362820000e+00  6.5933300000e-01 -8.3520100000e-01 -1.7973620000e+00 -7.8971600000e-01 -4.8307700000e-01
+ENERGY -1.526541878287e+02
+FORCES -1.8876000000e-03 -2.8960000000e-03  2.5601000000e-03  1.1800000000e-05 -6.8400000000e-04 -4.0947000000e-03  1.9551000000e-03  3.3425000000e-03  1.8511000000e-03 -1.0429000000e-03  2.3606000000e-03  3.8003000000e-03 -9.2210000000e-04 -4.2123000000e-03 -1.5168000000e-03  1.8856000000e-03  2.0892000000e-03 -2.5999000000e-03
+
+JOB 54
+COORDS -1.6101000000e+00 -4.2580200000e-01 -1.3890410000e+00 -8.5424500000e-01 -8.4717500000e-01 -1.7981370000e+00 -1.3987310000e+00 -4.0769100000e-01 -4.5564500000e-01  1.5657900000e+00  4.8888000000e-01  1.4053890000e+00  1.6599500000e+00  6.5813900000e-01  4.6799000000e-01  1.3253020000e+00 -4.3604800000e-01  1.4592820000e+00
+ENERGY -1.526536315774e+02
+FORCES  2.9577000000e-03 -1.4946000000e-03  2.1791000000e-03 -2.6431000000e-03  2.0071000000e-03  2.1568000000e-03 -3.0620000000e-04 -7.1340000000e-04 -4.4546000000e-03  8.7960000000e-04 -2.4791000000e-03 -3.0970000000e-03 -9.4100000000e-04 -1.3996000000e-03  4.0780000000e-03  5.3000000000e-05  4.0797000000e-03 -8.6230000000e-04
+
+JOB 55
+COORDS -5.4896600000e-01 -8.1566900000e-01 -1.8397790000e+00  9.8055000000e-02 -1.0190550000e+00 -2.5152270000e+00 -1.2615710000e+00 -1.4354440000e+00 -1.9956780000e+00  5.2612100000e-01  9.2911800000e-01  1.8890440000e+00  1.9549900000e-01  1.5388700000e-01  1.4352410000e+00  1.2672040000e+00  6.0848200000e-01  2.4030670000e+00
+ENERGY -1.526553705888e+02
+FORCES -3.8180000000e-04 -2.9048000000e-03 -4.6502000000e-03 -2.8022000000e-03  5.5760000000e-04  2.8717000000e-03  3.1406000000e-03  2.4878000000e-03  9.4380000000e-04  1.2108000000e-03 -4.6530000000e-03 -1.0999000000e-03  1.6443000000e-03  3.2238000000e-03  3.8658000000e-03 -2.8116000000e-03  1.2885000000e-03 -1.9311000000e-03
+
+JOB 56
+COORDS  1.7249830000e+00  1.3573070000e+00  1.4928500000e-01  8.3214600000e-01  1.6305000000e+00 -6.1525000000e-02  1.9781880000e+00  7.8504300000e-01 -5.7503000000e-01 -1.6835540000e+00 -1.2723950000e+00 -9.6799000000e-02 -9.9077900000e-01 -1.9242600000e+00  9.8190000000e-03 -2.4832070000e+00 -1.7874100000e+00 -2.0425500000e-01
+ENERGY -1.526552961699e+02
+FORCES -3.6857000000e-03 -1.2160000000e-03 -3.8111000000e-03  4.5273000000e-03 -3.5980000000e-04  7.7450000000e-04 -5.1880000000e-04  2.0112000000e-03  2.9766000000e-03 -7.9350000000e-04 -5.1970000000e-03  6.5270000000e-04 -2.9020000000e-03  2.7004000000e-03 -1.0065000000e-03  3.3726000000e-03  2.0612000000e-03  4.1390000000e-04
+
+JOB 57
+COORDS -5.9910100000e-01 -1.1603590000e+00  1.6577560000e+00 -3.0929000000e-01 -1.5087300000e+00  2.5008930000e+00 -1.2557680000e+00 -1.7862800000e+00  1.3523980000e+00  6.5922700000e-01  1.2136700000e+00 -1.6399410000e+00 -2.1379800000e-01  8.2202000000e-01 -1.6658410000e+00  7.6692600000e-01  1.6170930000e+00 -2.5012670000e+00
+ENERGY -1.526535885125e+02
+FORCES -7.1250000000e-04 -4.0060000000e-03  2.7433000000e-03 -1.4320000000e-03  1.2995000000e-03 -3.4160000000e-03  2.5514000000e-03  2.8757000000e-03  8.1780000000e-04 -3.5167000000e-03 -3.8190000000e-04 -2.6972000000e-03  3.4363000000e-03  1.8763000000e-03 -1.0019000000e-03 -3.2660000000e-04 -1.6637000000e-03  3.5540000000e-03
+
+JOB 58
+COORDS -1.8915940000e+00 -3.6389800000e-01 -1.0734620000e+00 -2.5692120000e+00 -4.9276800000e-01 -4.0979200000e-01 -1.3581850000e+00  3.5537700000e-01 -7.3530500000e-01  1.8617950000e+00  3.5695600000e-01  9.6914100000e-01  1.5614820000e+00  1.2593200000e-01  1.8481580000e+00  2.7930660000e+00  1.3567700000e-01  9.6781700000e-01
+ENERGY -1.526549895707e+02
+FORCES  6.3260000000e-04  2.6284000000e-03  4.0627000000e-03  2.5961000000e-03  4.0860000000e-04 -2.4990000000e-03 -3.7521000000e-03 -2.8239000000e-03 -1.5751000000e-03  3.4413000000e-03 -2.4608000000e-03  3.3406000000e-03  8.6470000000e-04  1.2409000000e-03 -3.6480000000e-03 -3.7826000000e-03  1.0068000000e-03  3.1880000000e-04
+
+JOB 59
+COORDS -5.6440800000e-01  2.6457800000e-01 -2.0520850000e+00 -1.7245300000e-01  3.4926000000e-01 -2.9212410000e+00 -1.1355870000e+00  1.0283860000e+00 -1.9709490000e+00  6.4093300000e-01 -3.4710900000e-01  2.1122580000e+00  4.1799200000e-01  5.6875600000e-01  1.9457630000e+00 -1.9763800000e-01 -8.0763800000e-01  2.0815430000e+00
+ENERGY -1.526539904205e+02
+FORCES -1.7230000000e-04  3.1807000000e-03 -3.8569000000e-03 -1.8282000000e-03 -2.4460000000e-04  3.5457000000e-03  2.3347000000e-03 -3.1505000000e-03  2.4970000000e-04 -4.4401000000e-03  1.6029000000e-03 -2.4243000000e-03  8.5810000000e-04 -3.2539000000e-03  1.4717000000e-03  3.2477000000e-03  1.8653000000e-03  1.0141000000e-03
+
+JOB 60
+COORDS -1.4835450000e+00 -1.2932220000e+00 -1.0731530000e+00 -2.3096450000e+00 -1.1500440000e+00 -6.1131900000e-01 -8.1025600000e-01 -1.1730340000e+00 -4.0347500000e-01  1.5158780000e+00  1.2661340000e+00  9.4518500000e-01  1.0245880000e+00  2.0321330000e+00  1.2420220000e+00  1.5502650000e+00  6.9184400000e-01  1.7101950000e+00
+ENERGY -1.526544963506e+02
+FORCES  2.5230000000e-04  1.7563000000e-03  4.3917000000e-03  3.2248000000e-03 -5.8800000000e-04 -1.7381000000e-03 -3.7186000000e-03 -1.6603000000e-03 -2.3658000000e-03 -8.2470000000e-04  2.1355000000e-03  4.4675000000e-03  1.9539000000e-03 -3.5238000000e-03 -1.0880000000e-03 -8.8760000000e-04  1.8802000000e-03 -3.6673000000e-03
+
+JOB 61
+COORDS -1.1879610000e+00 -1.7344800000e-01  1.9409270000e+00 -2.6479300000e-01 -2.1693000000e-02  2.1433170000e+00 -1.2514270000e+00 -3.9847000000e-02  9.9522400000e-01  1.1835380000e+00  2.1889000000e-01 -1.9169240000e+00  2.5092400000e-01  1.0476500000e-01 -2.0997880000e+00  1.4643140000e+00 -6.2599100000e-01 -1.5653950000e+00
+ENERGY -1.526542879134e+02
+FORCES  3.8325000000e-03  2.1020000000e-03 -2.7987000000e-03 -3.9452000000e-03 -1.1512000000e-03 -6.3600000000e-04 -1.4750000000e-04 -1.3026000000e-03  3.4663000000e-03 -1.8940000000e-03 -4.2538000000e-03 -9.8370000000e-04  3.6941000000e-03  6.4690000000e-04  1.8670000000e-03 -1.5399000000e-03  3.9587000000e-03 -9.1490000000e-04
+
+JOB 62
+COORDS  1.0404090000e+00  1.7407580000e+00  1.1290900000e+00  4.6355400000e-01  1.0454290000e+00  1.4452990000e+00  6.6253700000e-01  2.0028450000e+00  2.8959300000e-01 -9.7000700000e-01 -1.7178210000e+00 -1.1599690000e+00 -4.3517400000e-01 -1.7878340000e+00 -3.6922000000e-01 -1.8675940000e+00 -1.6406000000e+00 -8.3654200000e-01
+ENERGY -1.526540403693e+02
+FORCES -3.9041000000e-03 -1.3092000000e-03 -2.7086000000e-03  2.3633000000e-03  2.1816000000e-03 -1.1169000000e-03  1.6180000000e-03 -8.7980000000e-04  3.9509000000e-03 -1.5134000000e-03 -1.2910000000e-03  4.0432000000e-03 -2.5867000000e-03  1.1489000000e-03 -3.0185000000e-03  4.0229000000e-03  1.4950000000e-04 -1.1501000000e-03
+
+JOB 63
+COORDS -7.7215800000e-01 -2.0555600000e+00 -7.9257700000e-01 -1.3693190000e+00 -1.4378510000e+00 -3.7059900000e-01  8.5717000000e-02 -1.8530420000e+00 -4.1939000000e-01  7.9452500000e-01  1.9975470000e+00  7.9109400000e-01  2.4227100000e-01  2.7557820000e+00  6.0049900000e-01  5.9110500000e-01  1.3717010000e+00  9.5991000000e-02
+ENERGY -1.526539983754e+02
+FORCES  7.7720000000e-04  1.9747000000e-03  3.9984000000e-03  2.9013000000e-03 -1.9721000000e-03 -2.3423000000e-03 -3.7452000000e-03  6.0200000000e-05 -2.1577000000e-03 -2.7265000000e-03  1.6484000000e-03 -3.9566000000e-03  2.2346000000e-03 -3.3537000000e-03  8.8730000000e-04  5.5860000000e-04  1.6425000000e-03  3.5709000000e-03
+
+JOB 64
+COORDS  2.8385400000e-01 -3.6489100000e-01 -2.2389030000e+00 -5.0840600000e-01  1.7031300000e-01 -2.1929400000e+00 -3.7499000000e-02 -1.2640180000e+00 -2.3062390000e+00 -2.2968100000e-01  3.5020300000e-01  2.2959710000e+00  5.4996800000e-01  8.9473800000e-01  2.1870630000e+00 -6.9524800000e-01  4.2839300000e-01  1.4632860000e+00
+ENERGY -1.526544436073e+02
+FORCES -4.2912000000e-03 -2.2131000000e-03 -1.1874000000e-03  3.3777000000e-03 -2.0234000000e-03  7.9300000000e-04  1.2058000000e-03  4.0153000000e-03  3.1080000000e-04  2.0975000000e-03  2.3269000000e-03 -4.3875000000e-03 -3.3789000000e-03 -1.9491000000e-03  9.1930000000e-04  9.8900000000e-04 -1.5650000000e-04  3.5518000000e-03
+
+JOB 65
+COORDS -1.4673560000e+00  8.2926900000e-01  1.4894360000e+00 -2.4068760000e+00  9.8139700000e-01  1.5913670000e+00 -1.0553050000e+00  1.4952150000e+00  2.0398550000e+00  1.5604800000e+00 -8.9050900000e-01 -1.5073620000e+00  1.2575950000e+00 -9.5447200000e-01 -2.4131230000e+00  7.8458900000e-01 -6.2636200000e-01 -1.0129430000e+00
+ENERGY -1.526558897146e+02
+FORCES -2.4120000000e-03  3.5818000000e-03  3.4354000000e-03  3.9015000000e-03 -5.4280000000e-04 -4.4830000000e-04 -1.9194000000e-03 -2.7340000000e-03 -2.3528000000e-03 -4.9614000000e-03  1.0122000000e-03 -9.1070000000e-04  1.2880000000e-03  2.0160000000e-04  3.3790000000e-03  4.1033000000e-03 -1.5187000000e-03 -3.1026000000e-03
+
+JOB 66
+COORDS -1.4659960000e+00  8.6115200000e-01 -1.6789250000e+00 -1.4371430000e+00  1.5500900000e+00 -1.0150240000e+00 -8.5377700000e-01  1.9695100000e-01 -1.3622900000e+00  1.4808670000e+00 -8.5565000000e-01  1.6841770000e+00  1.3798960000e+00 -1.5122860000e+00  9.9507200000e-01  7.8003800000e-01 -2.2489800000e-01  1.5191880000e+00
+ENERGY -1.526528211399e+02
+FORCES  2.3866000000e-03  6.2440000000e-04  3.2580000000e-03  9.8600000000e-05 -3.3989000000e-03 -2.4673000000e-03 -2.4266000000e-03  2.5808000000e-03 -4.7450000000e-04 -2.8739000000e-03 -6.3980000000e-04 -2.6722000000e-03  6.6200000000e-05  3.3371000000e-03  2.5776000000e-03  2.7491000000e-03 -2.5036000000e-03 -2.2160000000e-04
+
+JOB 67
+COORDS -7.7952800000e-01 -1.4393270000e+00 -1.7691360000e+00 -1.0254390000e+00 -5.3334300000e-01 -1.9560910000e+00 -6.3579700000e-01 -1.4586250000e+00 -8.2298600000e-01  8.1815000000e-01  1.4425510000e+00  1.6981790000e+00  4.6775000000e-01  6.7306200000e-01  1.2494700000e+00  6.0526000000e-01  1.3002050000e+00  2.6204840000e+00
+ENERGY -1.526530160268e+02
+FORCES -6.8920000000e-04  3.4789000000e-03  2.2643000000e-03  1.1408000000e-03 -4.0545000000e-03  1.2453000000e-03 -2.3950000000e-04  7.5380000000e-04 -3.2517000000e-03 -1.7894000000e-03 -3.4881000000e-03  2.5958000000e-03  7.4720000000e-04  2.7824000000e-03  1.2169000000e-03  8.3010000000e-04  5.2750000000e-04 -4.0707000000e-03
+
+JOB 68
+COORDS -1.6877200000e+00  4.8862900000e-01  1.5732830000e+00 -1.3911330000e+00  1.1273230000e+00  2.2216180000e+00 -1.3525290000e+00 -3.4962400000e-01  1.8914180000e+00  1.6849600000e+00 -4.5844900000e-01 -1.5652550000e+00  1.7598730000e+00 -1.3200700000e+00 -1.9754130000e+00  1.1168430000e+00  3.8845000000e-02 -2.1536200000e+00
+ENERGY -1.526544656183e+02
+FORCES  3.4564000000e-03 -9.5660000000e-04  3.6939000000e-03 -1.4759000000e-03 -2.4773000000e-03 -2.4861000000e-03 -1.9294000000e-03  3.2950000000e-03 -9.4110000000e-04 -2.6081000000e-03 -1.0673000000e-03 -4.0740000000e-03 -2.4210000000e-04  3.3758000000e-03  1.8018000000e-03  2.7990000000e-03 -2.1697000000e-03  2.0056000000e-03
+
+JOB 69
+COORDS -1.0983320000e+00  1.7197770000e+00  1.1903450000e+00 -1.8168430000e+00  1.4785560000e+00  6.0572000000e-01 -1.3442090000e+00  2.5800490000e+00  1.5305030000e+00  1.1289680000e+00 -1.8073450000e+00 -1.1975420000e+00  6.4021800000e-01 -9.8462500000e-01 -1.2196380000e+00  1.9776620000e+00 -1.5723060000e+00 -8.2243400000e-01
+ENERGY -1.526549032087e+02
+FORCES -4.4371000000e-03  2.8437000000e-03 -2.3480000000e-04  3.4449000000e-03  9.1530000000e-04  1.9931000000e-03  9.7300000000e-04 -3.5740000000e-03 -1.4603000000e-03  1.4873000000e-03  4.7857000000e-03  2.2321000000e-03  1.6628000000e-03 -3.7229000000e-03 -7.0590000000e-04 -3.1309000000e-03 -1.2476000000e-03 -1.8242000000e-03
+
+JOB 70
+COORDS  1.8132400000e+00  5.9153600000e-01 -1.4661590000e+00  1.9183670000e+00  7.4623300000e-01 -2.4049080000e+00  1.7387600000e+00  1.4666620000e+00 -1.0855830000e+00 -1.7578450000e+00 -6.2900600000e-01  1.5076200000e+00 -2.1432580000e+00 -1.0474060000e+00  7.3779500000e-01 -2.4549650000e+00 -6.4436200000e-01  2.1633790000e+00
+ENERGY -1.526538919012e+02
+FORCES -3.4300000000e-05  4.3790000000e-03 -1.6127000000e-03 -5.2980000000e-04 -7.6600000000e-04  3.7647000000e-03  6.2530000000e-04 -3.4262000000e-03 -2.0023000000e-03 -4.0296000000e-03 -2.1163000000e-03 -9.0710000000e-04  1.0828000000e-03  1.7503000000e-03  3.4029000000e-03  2.8857000000e-03  1.7920000000e-04 -2.6456000000e-03
+
+JOB 71
+COORDS  2.3607710000e+00  6.2042500000e-01  1.5270600000e-01  1.5095530000e+00  9.9950800000e-01 -6.6282000000e-02  2.8929460000e+00  1.3675100000e+00  4.2635800000e-01 -2.3614160000e+00 -7.4872400000e-01 -1.1944400000e-01 -2.2494560000e+00 -6.1595800000e-01 -1.0607570000e+00 -2.1712010000e+00  1.0575900000e-01  2.6773700000e-01
+ENERGY -1.526532815099e+02
+FORCES -1.0905000000e-03  4.3880000000e-03  3.8980000000e-04  3.1537000000e-03 -1.2791000000e-03  7.6010000000e-04 -2.3088000000e-03 -3.1077000000e-03 -1.1609000000e-03  9.2000000000e-04  3.4804000000e-03 -2.2017000000e-03 -3.3030000000e-04 -2.2680000000e-04  4.0368000000e-03 -3.4420000000e-04 -3.2549000000e-03 -1.8241000000e-03
+
+JOB 72
+COORDS -4.2044500000e-01  1.3697130000e+00  1.9897670000e+00 -7.7259100000e-01  2.0694520000e+00  2.5398500000e+00 -1.8971100000e-01  1.8033780000e+00  1.1682270000e+00  4.7619600000e-01 -1.3745940000e+00 -1.9782710000e+00  4.8949700000e-01 -2.2872440000e+00 -1.6899570000e+00 -4.2643100000e-01 -1.2248880000e+00 -2.2594910000e+00
+ENERGY -1.526544296402e+02
+FORCES  3.1900000000e-05  4.4784000000e-03 -1.4771000000e-03  1.3489000000e-03 -2.8878000000e-03 -2.2271000000e-03 -1.3993000000e-03 -1.3486000000e-03  3.7101000000e-03 -3.6838000000e-03 -3.4812000000e-03  6.0030000000e-04 -2.5000000000e-05  3.6054000000e-03 -1.5495000000e-03  3.7273000000e-03 -3.6620000000e-04  9.4320000000e-04
+
+JOB 73
+COORDS -2.2365240000e+00 -6.4893300000e-01 -9.8279200000e-01 -2.6973200000e+00 -9.0454300000e-01 -1.8369100000e-01 -2.1806070000e+00  3.0532300000e-01 -9.3277500000e-01  2.2589320000e+00  5.7350400000e-01  8.8366900000e-01  1.6612660000e+00  4.3788900000e-01  1.6189480000e+00  2.8086090000e+00  1.3091360000e+00  1.1537290000e+00
+ENERGY -1.526536232121e+02
+FORCES -1.2256000000e-03  2.9470000000e-03  3.1430000000e-03  1.9446000000e-03  1.0661000000e-03 -3.0988000000e-03 -6.3420000000e-04 -3.9180000000e-03 -2.6100000000e-05 -5.4100000000e-05  2.0557000000e-03  4.0623000000e-03  2.3441000000e-03  8.2840000000e-04 -2.9146000000e-03 -2.3748000000e-03 -2.9792000000e-03 -1.1658000000e-03
+
+JOB 74
+COORDS  1.1747100000e-01  7.1020000000e-01  2.4535820000e+00 -6.8572600000e-01  3.3405500000e-01  2.8136110000e+00  6.4704800000e-01 -4.7529000000e-02  2.2053350000e+00 -3.7718000000e-02 -6.4139100000e-01 -2.4514300000e+00 -6.0179500000e-01 -1.3491220000e+00 -2.1397160000e+00 -6.2981200000e-01 -4.8988000000e-02 -2.9148060000e+00
+ENERGY -1.526539804599e+02
+FORCES -7.2000000000e-04 -4.5968000000e-03 -5.9000000000e-06  3.1205000000e-03  1.5025000000e-03 -1.5088000000e-03 -2.3523000000e-03  2.9511000000e-03  1.5250000000e-03 -4.8342000000e-03  8.6900000000e-05 -6.8190000000e-04  2.4097000000e-03  2.7078000000e-03 -1.0418000000e-03  2.3763000000e-03 -2.6515000000e-03  1.7134000000e-03
+
+JOB 75
+COORDS -9.2418700000e-01  1.6275370000e+00  1.7935490000e+00 -1.3371200000e+00  8.6159500000e-01  2.1923590000e+00 -1.3300820000e+00  1.6963340000e+00  9.2940400000e-01  9.9395800000e-01 -1.5512640000e+00 -1.7267300000e+00  8.4029500000e-01 -2.4958780000e+00 -1.7447320000e+00  6.4564300000e-01 -1.2355280000e+00 -2.5605290000e+00
+ENERGY -1.526538841754e+02
+FORCES -2.6958000000e-03 -3.4531000000e-03 -2.3761000000e-03  1.3582000000e-03  3.2641000000e-03 -1.3277000000e-03  1.2026000000e-03  1.2830000000e-04  3.5981000000e-03 -1.5346000000e-03 -2.6695000000e-03 -3.6036000000e-03  4.8050000000e-04  3.9480000000e-03  1.4130000000e-04  1.1892000000e-03 -1.2178000000e-03  3.5680000000e-03
+
+JOB 76
+COORDS  8.0809100000e-01 -1.2729780000e+00  2.2283650000e+00 -1.0275400000e-01 -1.5558830000e+00  2.3093470000e+00  1.0141370000e+00 -8.8141000000e-01  3.0771590000e+00 -7.9721900000e-01  1.2054930000e+00 -2.2775240000e+00 -9.8392400000e-01  2.0577990000e+00 -1.8838890000e+00 -3.5511000000e-02  1.3607700000e+00 -2.8360230000e+00
+ENERGY -1.526538973320e+02
+FORCES -3.2025000000e-03  3.9780000000e-04  3.3798000000e-03  3.8239000000e-03  1.0701000000e-03  4.9700000000e-05 -7.6020000000e-04 -1.5038000000e-03 -3.4555000000e-03  2.8547000000e-03  3.8879000000e-03 -3.4740000000e-04  5.4240000000e-04 -3.3717000000e-03 -1.6724000000e-03 -3.2582000000e-03 -4.8040000000e-04  2.0457000000e-03
+
+JOB 77
+COORDS  9.2096000000e-01  1.5223750000e+00 -2.7204020000e+00  6.1388200000e-01  1.0528930000e+00 -1.9448230000e+00  1.6884650000e+00  2.0082530000e+00 -2.4185900000e+00 -9.1230800000e-01 -1.5480180000e+00  2.6093620000e+00 -1.3544770000e+00 -7.0516300000e-01  2.7109140000e+00 -1.0553910000e+00 -1.9960720000e+00  3.4430330000e+00
+ENERGY -1.526543852153e+02
+FORCES  1.9426000000e-03 -2.8480000000e-04  4.4619000000e-03  1.1795000000e-03  2.2475000000e-03 -3.2520000000e-03 -3.1302000000e-03 -1.8420000000e-03 -1.2550000000e-03 -2.5748000000e-03  1.3054000000e-03  4.0524000000e-03  1.9938000000e-03 -3.3288000000e-03 -6.0540000000e-04  5.8920000000e-04  1.9028000000e-03 -3.4019000000e-03
+
+JOB 78
+COORDS  1.7304830000e+00  2.0731280000e+00 -1.8482210000e+00  2.0544650000e+00  1.9508010000e+00 -9.5586200000e-01  8.0488200000e-01  2.2915460000e+00 -1.7396540000e+00 -1.7379870000e+00 -2.0364380000e+00  1.8193080000e+00 -1.8597050000e+00 -2.9631930000e+00  1.6130520000e+00 -8.7896500000e-01 -1.8206120000e+00  1.4563580000e+00
+ENERGY -1.526541885012e+02
+FORCES -2.4889000000e-03  7.8500000000e-04  4.0029000000e-03 -1.3465000000e-03  2.3340000000e-04 -3.6333000000e-03  3.8788000000e-03 -1.0471000000e-03 -4.2850000000e-04  2.9324000000e-03 -3.2047000000e-03 -2.3444000000e-03  5.0490000000e-04  3.8255000000e-03  8.7710000000e-04 -3.4806000000e-03 -5.9220000000e-04  1.5262000000e-03
+
+JOB 79
+COORDS  7.9267600000e-01 -2.4802790000e+00 -1.9601970000e+00  1.6247340000e+00 -2.9038150000e+00 -1.7491760000e+00  5.4985000000e-01 -2.0158650000e+00 -1.1592050000e+00 -8.3927000000e-01  2.4365540000e+00  1.9609890000e+00 -2.1858300000e-01  2.2830550000e+00  1.2486570000e+00 -1.2660060000e+00  3.2626490000e+00  1.7336250000e+00
+ENERGY -1.526541788971e+02
+FORCES  2.2765000000e-03 -1.4420000000e-04  4.2437000000e-03 -3.3688000000e-03  1.8175000000e-03 -9.0100000000e-04  1.1367000000e-03 -1.6390000000e-03 -3.4182000000e-03  6.2850000000e-04  3.0784000000e-03 -3.8208000000e-03 -2.4651000000e-03  2.8710000000e-04  2.9399000000e-03  1.7923000000e-03 -3.3998000000e-03  9.5640000000e-04
+
+JOB 80
+COORDS  9.5692900000e-01  1.1432000000e-02  3.2926610000e+00  8.6840900000e-01  3.8708500000e-01  2.4167150000e+00  1.9002830000e+00 -5.6400000000e-04  3.4544330000e+00 -1.0252570000e+00 -8.8390000000e-02 -3.2805700000e+00 -1.1717640000e+00  8.2976100000e-01 -3.5080910000e+00 -4.2164800000e-01 -5.8327000000e-02 -2.5382870000e+00
+ENERGY -1.526536762719e+02
+FORCES  3.5327000000e-03  1.4175000000e-03 -2.6819000000e-03  3.3940000000e-04 -1.5164000000e-03  3.3370000000e-03 -3.9117000000e-03  8.4700000000e-05 -7.5290000000e-04  1.7025000000e-03  3.8049000000e-03  1.9710000000e-03  6.8500000000e-04 -3.7740000000e-03  1.0115000000e-03 -2.3479000000e-03 -1.6800000000e-05 -2.8847000000e-03
+
+JOB 81
+COORDS -1.5465570000e+00  7.1815300000e-01  3.0679620000e+00 -1.9033030000e+00 -1.3937000000e-01  2.8364060000e+00 -1.2935420000e+00  1.1068780000e+00  2.2306390000e+00  1.4999710000e+00 -6.5424800000e-01 -3.0351710000e+00  2.1656870000e+00 -4.3325800000e-01 -2.3838510000e+00  1.7326930000e+00 -1.5357960000e+00 -3.3266240000e+00
+ENERGY -1.526543562787e+02
+FORCES -5.7360000000e-04 -1.8631000000e-03 -4.5193000000e-03  1.4965000000e-03  3.4392000000e-03  1.0527000000e-03 -9.1930000000e-04 -1.5702000000e-03  3.5550000000e-03  3.8954000000e-03 -2.7304000000e-03  1.1995000000e-03 -2.8954000000e-03 -8.8390000000e-04 -2.5475000000e-03 -1.0036000000e-03  3.6084000000e-03  1.2597000000e-03
+
+JOB 82
+COORDS  3.3951880000e+00 -9.6285100000e-01  1.8885700000e-01  3.0734560000e+00 -1.0755800000e-01  4.7380200000e-01  3.4352210000e+00 -1.4836120000e+00  9.9100200000e-01 -3.4006820000e+00  8.7634200000e-01 -2.1949800000e-01 -3.9344390000e+00  1.6027260000e+00 -5.4152600000e-01 -2.5032580000e+00  1.2083430000e+00 -2.4474700000e-01
+ENERGY -1.526539762397e+02
+FORCES -1.0971000000e-03  1.1686000000e-03  4.5133000000e-03  1.1964000000e-03 -3.3789000000e-03 -1.2491000000e-03 -1.2880000000e-04  2.2020000000e-03 -3.2912000000e-03  1.4436000000e-03  4.2421000000e-03 -1.6232000000e-03  2.1959000000e-03 -2.9502000000e-03  1.3680000000e-03 -3.6100000000e-03 -1.2835000000e-03  2.8220000000e-04
+
+JOB 83
+COORDS  7.2863600000e-01  2.9777610000e+00  1.9629250000e+00  1.2546760000e+00  2.5073530000e+00  2.6096320000e+00  4.6800000000e-03  2.3838160000e+00  1.7645630000e+00 -6.8561300000e-01 -2.8667460000e+00 -1.9870010000e+00 -1.2919410000e+00 -3.1794470000e+00 -1.3155730000e+00 -7.5136200000e-01 -3.5134030000e+00 -2.6896710000e+00
+ENERGY -1.526541101987e+02
+FORCES -7.2850000000e-04 -4.5100000000e-03  1.5457000000e-03 -2.1600000000e-03  1.9741000000e-03 -2.5133000000e-03  2.8538000000e-03  2.5177000000e-03  1.0162000000e-03 -2.7122000000e-03 -3.9943000000e-03 -3.5540000000e-04  2.4995000000e-03  1.3869000000e-03 -2.6148000000e-03  2.4740000000e-04  2.6256000000e-03  2.9216000000e-03
+
+JOB 84
+COORDS  1.3047500000e+00  2.5198890000e+00 -2.3169140000e+00  1.3324670000e+00  2.9604840000e+00 -1.4675960000e+00  1.4246660000e+00  1.5929480000e+00 -2.1104360000e+00 -1.3505010000e+00 -2.5282380000e+00  2.2178320000e+00 -1.5441920000e+00 -2.0922410000e+00  3.0476640000e+00 -4.5903300000e-01 -2.2526910000e+00  2.0043130000e+00
+ENERGY -1.526538267366e+02
+FORCES  4.8960000000e-04 -1.9709000000e-03  4.1713000000e-03 -7.1700000000e-05 -1.8606000000e-03 -3.4048000000e-03 -4.0810000000e-04  3.7962000000e-03 -7.1150000000e-04  2.7169000000e-03  2.7369000000e-03  2.6694000000e-03  8.6230000000e-04 -1.7341000000e-03 -3.4600000000e-03 -3.5890000000e-03 -9.6740000000e-04  7.3560000000e-04
+
+JOB 85
+COORDS -1.1617730000e+00 -3.4385040000e+00 -1.4379480000e+00 -1.8911570000e+00 -3.8580340000e+00 -9.8163100000e-01 -1.3986510000e+00 -3.4865160000e+00 -2.3641310000e+00  1.2335340000e+00  3.4246770000e+00  1.4168890000e+00  6.3594900000e-01  3.1754290000e+00  2.1218700000e+00  1.4235290000e+00  4.3487540000e+00  1.5788040000e+00
+ENERGY -1.526538710882e+02
+FORCES -3.8719000000e-03 -1.7917000000e-03 -1.9735000000e-03  2.9624000000e-03  1.7009000000e-03 -1.8244000000e-03  9.3140000000e-04  1.3130000000e-04  3.7880000000e-03 -1.6904000000e-03  2.5728000000e-03  3.5204000000e-03  2.4380000000e-03  1.1321000000e-03 -2.8320000000e-03 -7.6950000000e-04 -3.7453000000e-03 -6.7850000000e-04
+
+JOB 86
+COORDS -3.8361770000e+00 -5.2961900000e-01 -6.3402700000e-01 -3.4688010000e+00 -6.2800700000e-01 -1.5124270000e+00 -4.7837650000e+00 -5.6349900000e-01 -7.6502800000e-01  3.8453420000e+00  4.8909600000e-01  7.3636900000e-01  4.4484450000e+00  1.2034560000e+00  9.4176800000e-01  3.6595680000e+00  5.9271000000e-01 -1.9689600000e-01
+ENERGY -1.526538819739e+02
+FORCES -2.3278000000e-03 -6.0390000000e-04 -4.0482000000e-03 -1.5005000000e-03  4.4600000000e-04  3.5389000000e-03  3.8673000000e-03  1.5740000000e-04  5.2310000000e-04  1.5497000000e-03  3.3690000000e-03 -2.9099000000e-03 -2.4181000000e-03 -2.9270000000e-03 -8.5270000000e-04  8.2940000000e-04 -4.4160000000e-04  3.7488000000e-03
+
+JOB 87
+COORDS  1.4578270000e+00 -3.3978000000e-01 -3.6689340000e+00  7.4784600000e-01 -8.5431000000e-01 -3.2849860000e+00  1.5266470000e+00 -6.5955800000e-01 -4.5685100000e+00 -1.3936740000e+00  4.5383400000e-01  3.7068020000e+00 -1.6442290000e+00 -1.7767000000e-01  4.3810840000e+00 -1.5641320000e+00  2.4980000000e-03  2.8800780000e+00
+ENERGY -1.526538874022e+02
+FORCES -2.5550000000e-03 -3.3452000000e-03 -2.1700000000e-03  2.8482000000e-03  2.0707000000e-03 -1.4871000000e-03 -2.9790000000e-04  1.2896000000e-03  3.6985000000e-03 -1.6299000000e-03 -4.3623000000e-03 -6.2750000000e-04  1.0029000000e-03  2.5680000000e-03 -2.7695000000e-03  6.3170000000e-04  1.7791000000e-03  3.3555000000e-03
+
+JOB 88
+COORDS -3.5730610000e+00 -1.9269490000e+00 -1.5646300000e+00 -3.4390500000e+00 -1.7573860000e+00 -6.3214900000e-01 -4.5222640000e+00 -1.8877210000e+00 -1.6816990000e+00  3.6245780000e+00  1.9893160000e+00  1.5308110000e+00  2.8636220000e+00  1.4639960000e+00  1.7782320000e+00  4.2661920000e+00  1.3507020000e+00  1.2197890000e+00
+ENERGY -1.526540704108e+02
+FORCES -3.4337000000e-03  8.8390000000e-04  3.2554000000e-03 -4.4810000000e-04 -7.0440000000e-04 -3.7690000000e-03  3.8919000000e-03 -1.7620000000e-04  5.0110000000e-04 -4.7720000000e-04 -4.7703000000e-03 -3.8080000000e-04  3.0699000000e-03  2.1532000000e-03 -9.2890000000e-04 -2.6027000000e-03  2.6137000000e-03  1.3222000000e-03
+
+JOB 89
+COORDS  1.0759080000e+00 -4.9556420000e+00 -1.9270960000e+00  1.5677710000e+00 -4.1355400000e+00 -1.8854330000e+00  1.0631310000e+00 -5.2739410000e+00 -1.0244580000e+00 -1.0552140000e+00  4.9675300000e+00  1.8711710000e+00 -1.9445960000e+00  5.1141510000e+00  2.1932500000e+00 -1.0651620000e+00  4.0698140000e+00  1.5391470000e+00
+ENERGY -1.526540642721e+02
+FORCES  2.0263000000e-03  1.9927000000e-03  3.8254000000e-03 -2.0554000000e-03 -3.3215000000e-03 -1.5140000000e-04  1.9600000000e-05  1.3292000000e-03 -3.6770000000e-03 -3.7205000000e-03 -3.0143000000e-03 -5.7900000000e-05  3.6453000000e-03 -6.1480000000e-04 -1.3060000000e-03  8.4700000000e-05  3.6288000000e-03  1.3668000000e-03
+
+JOB 0
+COORDS  9.9433000000e-02  1.0022210000e+00 -6.6842500000e-01  1.9134300000e-01  3.5898800000e-01 -1.3713020000e+00 -5.7833700000e-01  1.6023380000e+00 -9.7942300000e-01 -8.9662000000e-02 -1.0326860000e+00  7.8615500000e-01 -2.8249800000e-01 -1.2233900000e-01  5.6184700000e-01  3.6961300000e-01 -1.3765300000e+00  1.9951000000e-02
+ENERGY -1.526501518448e+02
+FORCES -1.5414000000e-03 -1.4803300000e-02  5.1591000000e-03 -5.2610000000e-04  9.2780000000e-04  5.4954000000e-03  2.7899000000e-03 -5.1273000000e-03  2.9507000000e-03  3.4859000000e-03  2.1708600000e-02 -1.4965900000e-02 -2.9101000000e-03 -3.9172000000e-03  2.4586000000e-03 -1.2980000000e-03  1.2114000000e-03 -1.0979000000e-03
+
+JOB 1
+COORDS -1.6650500000e-01  3.3960700000e-01 -1.2795490000e+00  4.6071200000e-01 -2.1914200000e-01 -1.7384920000e+00 -2.3924900000e-01 -4.7499000000e-02 -4.0714500000e-01  1.3886000000e-01 -2.9386000000e-01  1.1950000000e+00 -6.4136300000e-01 -1.8235500000e-01  1.7381850000e+00  8.6463200000e-01 -3.1419500000e-01  1.8187580000e+00
+ENERGY -1.526554190759e+02
+FORCES  5.2872000000e-03 -6.3103000000e-03  1.8338200000e-02 -9.2300000000e-04  1.4902000000e-03  1.9007000000e-03 -6.0085000000e-03  2.6630000000e-04 -3.5310000000e-03  2.0992000000e-03  5.1345000000e-03 -1.2017800000e-02  4.4699000000e-03 -3.4040000000e-04 -3.7626000000e-03 -4.9248000000e-03 -2.4030000000e-04 -9.2740000000e-04
+
+JOB 2
+COORDS -1.3043100000e+00 -2.8862500000e-01 -1.8912600000e-01 -1.4873680000e+00  7.1011000000e-02 -1.0571030000e+00 -3.6449500000e-01 -1.5422800000e-01 -6.6992000000e-02  1.2017010000e+00  2.6301700000e-01  2.2012900000e-01  1.7250880000e+00  1.0627250000e+00  1.6754700000e-01  1.8455830000e+00 -4.3994100000e-01  3.0672500000e-01
+ENERGY -1.526578798895e+02
+FORCES  1.8228300000e-02  5.4956000000e-03  1.0859000000e-03  1.3607000000e-03 -2.0930000000e-04  2.2658000000e-03 -5.4354000000e-03 -4.2475000000e-03 -8.2730000000e-04 -1.0868400000e-02 -4.3800000000e-04 -2.0069000000e-03 -3.7800000000e-04 -5.2697000000e-03  1.6260000000e-04 -2.9071000000e-03  4.6688000000e-03 -6.8010000000e-04
+
+JOB 3
+COORDS  6.2113600000e-01 -1.1278650000e+00  2.4358600000e-01  3.6579600000e-01 -1.6313930000e+00 -5.2939000000e-01  1.5389330000e+00 -9.0289600000e-01  9.1043000000e-02 -7.1829200000e-01  1.1617890000e+00 -1.9068400000e-01 -2.7362400000e-01  4.4701400000e-01  2.6494700000e-01 -4.8355000000e-02  1.5346560000e+00 -7.6373400000e-01
+ENERGY -1.526576418115e+02
+FORCES -2.9139000000e-03  3.9529000000e-03 -6.6176000000e-03  2.9112000000e-03  2.3696000000e-03  3.8406000000e-03 -5.7260000000e-03  7.9050000000e-04 -2.5020000000e-04  1.0371800000e-02 -1.3859700000e-02  2.3210000000e-03 -3.3647000000e-03  8.3189000000e-03 -5.7080000000e-04 -1.2784000000e-03 -1.5722000000e-03  1.2770000000e-03
+
+JOB 4
+COORDS -5.7099000000e-01  1.3061900000e-01  1.2128480000e+00 -1.4833180000e+00  1.2621900000e-01  9.2324500000e-01 -5.2908700000e-01 -5.5018900000e-01  1.8843960000e+00  6.8347600000e-01 -8.9929000000e-02 -1.2471970000e+00 -5.7647000000e-02  1.3517800000e-01 -1.8095980000e+00  2.8292400000e-01 -4.0000900000e-01 -4.3501400000e-01
+ENERGY -1.526567376529e+02
+FORCES -2.5466000000e-03  6.7550000000e-04  5.4020000000e-04  5.9397000000e-03 -1.2299000000e-03 -4.5720000000e-04  2.4450000000e-04  2.9644000000e-03 -5.2861000000e-03 -7.3136000000e-03  2.0983000000e-03  1.1224200000e-02  1.4981000000e-03 -7.1740000000e-04  2.3929000000e-03  2.1779000000e-03 -3.7908000000e-03 -8.4140000000e-03
+
+JOB 5
+COORDS -1.1886750000e+00 -6.4261800000e-01  2.2280500000e-01 -1.8575940000e+00 -1.7286700000e-01  7.2091500000e-01 -7.6730800000e-01 -1.2131780000e+00  8.6556700000e-01  1.2602880000e+00  6.3113100000e-01 -3.1892500000e-01  4.7627600000e-01  1.0791100000e-01 -1.5219300000e-01  1.0810680000e+00  1.4724930000e+00  1.0086200000e-01
+ENERGY -1.526588982136e+02
+FORCES -1.1921000000e-03  1.5964000000e-03  3.5405000000e-03  3.7247000000e-03 -2.7471000000e-03 -1.8638000000e-03  1.5850000000e-04  5.8595000000e-03 -4.6021000000e-03 -1.3311500000e-02 -2.1153000000e-03  2.0815000000e-03  1.0088900000e-02 -2.6530000000e-04  1.6558000000e-03  5.3150000000e-04 -2.3282000000e-03 -8.1190000000e-04
+
+JOB 6
+COORDS  2.0834900000e-01 -1.3656190000e+00 -7.5503000000e-02  3.1598400000e-01 -6.7213400000e-01 -7.2644500000e-01  4.9469600000e-01 -2.1616640000e+00 -5.2333000000e-01 -1.7904100000e-01  1.3251280000e+00  1.2577800000e-01 -2.1134800000e-01  1.9861220000e+00  8.1735200000e-01 -1.0225360000e+00  1.4027730000e+00 -3.2000100000e-01
+ENERGY -1.526544751065e+02
+FORCES  1.6077000000e-03  6.2537000000e-03 -2.0759000000e-03 -1.8635000000e-03 -6.2585000000e-03 -1.4293000000e-03 -1.1276000000e-03  4.4257000000e-03  1.8372000000e-03 -2.7753000000e-03 -1.1034000000e-03  4.1450000000e-03 -6.4320000000e-04 -2.2560000000e-03 -2.9642000000e-03  4.8019000000e-03 -1.0615000000e-03  4.8730000000e-04
+
+JOB 7
+COORDS  1.1214010000e+00 -9.2792500000e-01  2.1112300000e-01  8.4856300000e-01 -1.6823810000e+00 -3.1097600000e-01  4.1191300000e-01 -2.9405700000e-01  1.0590400000e-01 -1.0009330000e+00  9.1901700000e-01 -1.7575000000e-01 -1.5864950000e+00  1.0148680000e+00  5.7535600000e-01 -1.5389010000e+00  1.1558740000e+00 -9.3121200000e-01
+ENERGY -1.526611962466e+02
+FORCES -9.2784000000e-03  5.4901000000e-03 -3.8121000000e-03  6.4730000000e-04  2.1606000000e-03  1.2693000000e-03  6.7283000000e-03 -6.1155000000e-03  3.3623000000e-03 -1.7741000000e-03 -9.6100000000e-05 -8.5280000000e-04  2.4961000000e-03 -5.9910000000e-04 -4.4394000000e-03  1.1807000000e-03 -8.4000000000e-04  4.4727000000e-03
+
+JOB 8
+COORDS -2.3510000000e-02  1.4319360000e+00 -6.2840000000e-02 -1.7347400000e-01  1.1188950000e+00  8.2920700000e-01  8.1499500000e-01  1.8914400000e+00 -1.8141000000e-02 -5.2913000000e-02 -1.4761200000e+00  5.9786000000e-02 -3.2446100000e-01 -7.1578600000e-01 -4.5439800000e-01  8.3145600000e-01 -1.6717630000e+00 -2.4980600000e-01
+ENERGY -1.526592685134e+02
+FORCES  3.7604000000e-03 -1.1807000000e-03  5.5682000000e-03  2.0990000000e-04  2.1836000000e-03 -5.3585000000e-03 -3.3616000000e-03 -2.2276000000e-03  1.9670000000e-04  3.2313000000e-03  7.5386000000e-03 -5.4218000000e-03 -1.1315000000e-03 -6.6136000000e-03  3.4893000000e-03 -2.7085000000e-03  2.9970000000e-04  1.5261000000e-03
+
+JOB 9
+COORDS -8.2795900000e-01 -1.1621580000e+00  2.3861500000e-01  3.2857000000e-02 -1.1837800000e+00 -1.7942700000e-01 -1.4292050000e+00 -1.4834540000e+00 -4.3332500000e-01  8.5816700000e-01  1.1906900000e+00 -2.3100900000e-01  9.9797100000e-01  1.4299210000e+00  6.8520900000e-01 -1.0597000000e-02  7.8906200000e-01 -2.4429900000e-01
+ENERGY -1.526594244174e+02
+FORCES  3.0125000000e-03 -4.1038000000e-03 -2.9654000000e-03 -6.8771000000e-03  2.8156000000e-03  1.6139000000e-03  3.4215000000e-03  2.7947000000e-03  2.5542000000e-03 -6.8670000000e-03 -1.6358000000e-03  5.9530000000e-03  1.8340000000e-04 -8.0970000000e-04 -3.5716000000e-03  7.1267000000e-03  9.3910000000e-04 -3.5841000000e-03
+
+JOB 10
+COORDS -1.4843610000e+00  3.3174000000e-02  1.2244400000e-01 -1.9357960000e+00  7.3205100000e-01 -3.5085100000e-01 -5.7461400000e-01  9.4942000000e-02 -1.6872100000e-01  1.4339670000e+00 -6.1468000000e-02 -1.2852700000e-01  1.1733620000e+00  1.6581700000e-01  7.6403000000e-01  2.2215340000e+00 -5.9460200000e-01 -2.0185000000e-02
+ENERGY -1.526593775402e+02
+FORCES  4.7479000000e-03  7.5680000000e-04 -5.4404000000e-03  2.1199000000e-03 -2.3657000000e-03  1.5549000000e-03 -5.8111000000e-03  3.1253000000e-03  6.8597000000e-03  3.2012000000e-03 -3.4040000000e-03  3.4307000000e-03 -1.4991000000e-03 -1.3179000000e-03 -7.1589000000e-03 -2.7589000000e-03  3.2056000000e-03  7.5400000000e-04
+
+JOB 11
+COORDS -4.2425200000e-01 -3.2917900000e-01 -1.4230940000e+00 -3.2666100000e-01 -1.4144300000e-01 -4.8957200000e-01  4.5020100000e-01 -1.9327800000e-01 -1.7879140000e+00  2.9947500000e-01  3.0854600000e-01  1.3792490000e+00  9.2477000000e-01  8.7857600000e-01  9.3169500000e-01  8.3602400000e-01 -2.1730600000e-01  1.9723980000e+00
+ENERGY -1.526587077262e+02
+FORCES  3.3571000000e-03  4.1000000000e-04  8.2260000000e-03  2.8500000000e-04  1.5137000000e-03 -9.8418000000e-03 -2.4369000000e-03  3.5340000000e-04  2.0434000000e-03  4.8364000000e-03 -7.1320000000e-04  3.0815000000e-03 -4.2116000000e-03 -5.1069000000e-03 -6.5190000000e-04 -1.8299000000e-03  3.5430000000e-03 -2.8572000000e-03
+
+JOB 12
+COORDS  3.9380000000e-03 -1.5362800000e-01  1.5077550000e+00  4.9121700000e-01 -1.4778600000e-01  6.8388800000e-01 -5.3018200000e-01 -9.4680100000e-01  1.4650500000e+00  3.0949000000e-02  2.4403700000e-01 -1.4119480000e+00 -8.6971400000e-01 -7.8986000000e-02 -1.4383030000e+00  4.5505900000e-01 -1.6582700000e-01 -2.1658540000e+00
+ENERGY -1.526584702162e+02
+FORCES  1.0005000000e-03 -1.3688000000e-03 -8.9100000000e-03 -3.9350000000e-04 -2.0313000000e-03  8.3139000000e-03  9.0630000000e-04  2.8291000000e-03 -2.8100000000e-04 -4.3372000000e-03 -9.4030000000e-04 -3.3995000000e-03  4.9518000000e-03  1.5520000000e-04 -1.0550000000e-04 -2.1279000000e-03  1.3561000000e-03  4.3822000000e-03
+
+JOB 13
+COORDS  7.1916700000e-01 -1.1484680000e+00  5.5146600000e-01  1.2169710000e+00 -3.9723500000e-01  8.7406900000e-01  1.0329640000e+00 -1.8865590000e+00  1.0739460000e+00 -7.8228000000e-01  1.1897360000e+00 -5.5498700000e-01 -9.4307600000e-01  2.4613800000e-01 -5.5518100000e-01 -3.5099900000e-01  1.3598620000e+00 -1.3924150000e+00
+ENERGY -1.526591687703e+02
+FORCES  3.3381000000e-03  2.0255000000e-03  3.7789000000e-03 -5.7480000000e-04 -5.3123000000e-03 -9.2980000000e-04 -1.0722000000e-03  3.6940000000e-03 -1.9360000000e-03  1.2781000000e-03 -6.6200000000e-03 -2.4814000000e-03 -1.8665000000e-03  6.4654000000e-03 -1.8098000000e-03 -1.1026000000e-03 -2.5260000000e-04  3.3782000000e-03
+
+JOB 14
+COORDS  9.5461000000e-02  7.2322000000e-02 -1.5409060000e+00 -2.0820500000e-01  9.6799600000e-01 -1.6885090000e+00  2.0831300000e-01  1.0420000000e-02 -5.9240000000e-01 -8.1359000000e-02 -1.4963200000e-01  1.4487270000e+00 -8.6268900000e-01 -1.1483100000e-01  2.0005830000e+00  5.3407400000e-01  4.5330600000e-01  1.8657880000e+00
+ENERGY -1.526603533670e+02
+FORCES -2.0989000000e-03  1.5576000000e-03  8.6151000000e-03  1.0561000000e-03 -2.5978000000e-03  4.7600000000e-04  2.9934000000e-03  1.8719000000e-03 -9.1760000000e-03 -2.9427000000e-03  9.8450000000e-04  4.6368000000e-03  4.4034000000e-03  5.2970000000e-04 -1.3279000000e-03 -3.4112000000e-03 -2.3459000000e-03 -3.2239000000e-03
+
+JOB 15
+COORDS -1.2446520000e+00  6.1187400000e-01 -7.4608200000e-01 -5.6717800000e-01  1.2825610000e+00 -6.5982700000e-01 -7.5989700000e-01 -2.0714600000e-01 -8.4831300000e-01  1.2257660000e+00 -6.2697600000e-01  7.2824400000e-01  1.0553050000e+00  3.1412000000e-01  7.6715000000e-01  4.1563100000e-01 -1.0306810000e+00  1.0395890000e+00
+ENERGY -1.526549150387e+02
+FORCES  7.0261000000e-03 -1.5287000000e-03 -2.1119000000e-03 -2.0465000000e-03 -2.4609000000e-03  2.1976000000e-03 -4.3113000000e-03  2.9175000000e-03  2.1722000000e-03 -5.0487000000e-03  3.0190000000e-03  4.3537000000e-03  7.0840000000e-04 -2.8173000000e-03 -2.9213000000e-03  3.6719000000e-03  8.7040000000e-04 -3.6903000000e-03
+
+JOB 16
+COORDS -5.2324000000e-01  1.4020290000e+00 -1.7585300000e-01 -9.0955600000e-01  6.2959500000e-01  2.3686700000e-01 -1.2739060000e+00  1.9367660000e+00 -4.3428600000e-01  5.7419800000e-01 -1.3335750000e+00  1.8414800000e-01  1.0978550000e+00 -1.9840710000e+00  6.5198500000e-01  3.3004600000e-01 -1.7656450000e+00 -6.3434900000e-01
+ENERGY -1.526561969587e+02
+FORCES -2.1875000000e-03 -3.7333000000e-03  2.5014000000e-03 -2.0798000000e-03  6.1811000000e-03 -2.6769000000e-03  3.1249000000e-03 -2.9282000000e-03  7.1760000000e-04  3.1023000000e-03 -3.7037000000e-03 -2.4037000000e-03 -2.1435000000e-03  2.8002000000e-03 -2.4149000000e-03  1.8370000000e-04  1.3839000000e-03  4.2765000000e-03
+
+JOB 17
+COORDS  8.5439100000e-01 -1.2136070000e+00 -3.8443700000e-01  1.6371740000e+00 -8.5605400000e-01  3.4656000000e-02  3.8392200000e-01 -1.6549700000e+00  3.2273400000e-01 -8.8386200000e-01  1.2760350000e+00  3.5592200000e-01 -5.6351800000e-01  4.2507300000e-01  6.5504400000e-01 -9.7077400000e-01  1.1798990000e+00 -5.9246400000e-01
+ENERGY -1.526560096013e+02
+FORCES  3.8726000000e-03 -1.4944000000e-03  3.2581000000e-03 -4.6589000000e-03 -1.7144000000e-03 -1.5112000000e-03  5.8040000000e-04  5.5393000000e-03 -2.7985000000e-03  3.7306000000e-03 -6.9846000000e-03 -6.1773000000e-03 -2.1749000000e-03  2.1358000000e-03  3.8364000000e-03 -1.3498000000e-03  2.5183000000e-03  3.3925000000e-03
+
+JOB 18
+COORDS  1.2988900000e+00  9.1222700000e-01 -8.1841000000e-02  7.8848000000e-01  1.0928000000e-01  2.2992000000e-02  1.1809130000e+00  1.1533550000e+00 -1.0006290000e+00 -1.2297660000e+00 -8.1819500000e-01  1.4525400000e-01 -1.5270040000e+00 -1.0922590000e+00 -7.2237000000e-01 -1.4737020000e+00 -1.5419680000e+00  7.2221200000e-01
+ENERGY -1.526589285682e+02
+FORCES -7.2515000000e-03 -4.1253000000e-03 -1.7179000000e-03  7.9210000000e-03  4.0127000000e-03 -1.4423000000e-03  5.6450000000e-04 -8.3440000000e-04  2.6306000000e-03 -4.7439000000e-03 -3.7893000000e-03 -2.8270000000e-04  2.3412000000e-03  1.4186000000e-03  3.9969000000e-03  1.1688000000e-03  3.3177000000e-03 -3.1846000000e-03
+
+JOB 19
+COORDS  1.4708230000e+00 -4.1030100000e-01 -1.4022000000e-02  1.4732390000e+00  5.4015200000e-01  9.9396000000e-02  2.2123820000e+00 -5.8471700000e-01 -5.9359200000e-01 -1.5591860000e+00  3.9443900000e-01  4.2260000000e-03 -1.0242850000e+00  8.0799100000e-01  6.8178600000e-01 -1.2651120000e+00 -5.1634000000e-01 -1.1066000000e-02
+ENERGY -1.526560316800e+02
+FORCES  3.0933000000e-03  3.8540000000e-03 -3.4762000000e-03 -5.6260000000e-04 -4.0326000000e-03  1.2629000000e-03 -3.1635000000e-03  9.1330000000e-04  2.4096000000e-03  6.4453000000e-03 -4.6578000000e-03  2.2702000000e-03 -1.2380000000e-03  5.4240000000e-04 -2.6829000000e-03 -4.5745000000e-03  3.3807000000e-03  2.1640000000e-04
+
+JOB 20
+COORDS -1.3073170000e+00 -6.5986400000e-01  3.2316300000e-01 -1.9458160000e+00 -1.1800230000e+00  8.1100100000e-01 -1.7589720000e+00 -4.2371100000e-01 -4.8706600000e-01  1.4118800000e+00  6.5867400000e-01 -3.5437500000e-01  5.5259100000e-01  3.1689800000e-01 -1.0730600000e-01  1.6088390000e+00  1.3171880000e+00  3.1180800000e-01
+ENERGY -1.526602960909e+02
+FORCES -5.0102000000e-03 -3.2158000000e-03  4.2880000000e-04  1.5194000000e-03  2.4119000000e-03 -3.0514000000e-03  2.9630000000e-03 -6.8620000000e-04  4.2545000000e-03 -5.0926000000e-03 -1.3508000000e-03  5.3001000000e-03  6.1007000000e-03  4.9029000000e-03 -4.6838000000e-03 -4.8040000000e-04 -2.0619000000e-03 -2.2481000000e-03
+
+JOB 21
+COORDS  7.0833600000e-01  1.3422600000e+00  2.6713400000e-01 -1.1049100000e-01  1.2211150000e+00  7.4784000000e-01  1.2832090000e+00  1.7966360000e+00  8.8300300000e-01 -6.5449900000e-01 -1.3313080000e+00 -3.8414800000e-01 -1.5885360000e+00 -1.5383910000e+00 -3.5376600000e-01 -3.2469900000e-01 -1.5830020000e+00  4.7847300000e-01
+ENERGY -1.526527184713e+02
+FORCES -3.1185000000e-03  4.5860000000e-04  2.6345000000e-03  3.9374000000e-03  1.7182000000e-03  2.4600000000e-05 -2.3891000000e-03 -3.0318000000e-03 -2.6359000000e-03  9.8000000000e-06 -2.6715000000e-03  2.8282000000e-03  4.1644000000e-03  2.2277000000e-03  2.1880000000e-04 -2.6040000000e-03  1.2989000000e-03 -3.0703000000e-03
+
+JOB 22
+COORDS -7.9146700000e-01  3.5657700000e-01  1.2587810000e+00 -1.5599860000e+00  7.1033000000e-02  1.7528210000e+00 -1.0816490000e+00  1.1432590000e+00  7.9709000000e-01  8.7290900000e-01 -4.2311700000e-01 -1.3146140000e+00  1.0297650000e+00  5.1119000000e-01 -1.1778760000e+00  3.3662300000e-01 -6.8830500000e-01 -5.6741500000e-01
+ENERGY -1.526587116935e+02
+FORCES -5.4790000000e-03  2.9504000000e-03  1.9255000000e-03  3.3753000000e-03  1.5588000000e-03 -2.4717000000e-03  2.2087000000e-03 -3.9300000000e-03  1.5346000000e-03 -2.5206000000e-03  2.7392000000e-03  7.5392000000e-03 -8.4350000000e-04 -2.2424000000e-03 -1.6515000000e-03  3.2591000000e-03 -1.0761000000e-03 -6.8761000000e-03
+
+JOB 23
+COORDS -1.3667210000e+00 -2.3452500000e-01  6.2382800000e-01 -1.9106960000e+00 -8.3237500000e-01  1.1109300000e-01 -1.9927640000e+00  3.1974200000e-01  1.0897580000e+00  1.4536300000e+00  2.3130600000e-01 -6.8689000000e-01  5.7628900000e-01  4.9777900000e-01 -4.1212400000e-01  1.9126920000e+00  3.7874000000e-02  1.3047000000e-01
+ENERGY -1.526599286833e+02
+FORCES -5.9495000000e-03 -2.2916000000e-03 -1.5800000000e-05  1.7406000000e-03  3.2336000000e-03  2.8552000000e-03  3.0282000000e-03 -2.5235000000e-03 -2.3379000000e-03 -5.4862000000e-03 -1.0441000000e-03  6.3938000000e-03  7.0845000000e-03  1.7436000000e-03 -3.9244000000e-03 -4.1760000000e-04  8.8190000000e-04 -2.9708000000e-03
+
+JOB 24
+COORDS -9.1344000000e-02  1.5819220000e+00  2.3946900000e-01  3.4957700000e-01  1.2087930000e+00 -5.2381000000e-01  5.8484700000e-01  1.6120960000e+00  9.1629100000e-01  3.9505000000e-02 -1.5820580000e+00 -2.8696400000e-01  6.5405900000e-01 -1.3391470000e+00  4.0553100000e-01 -8.2472000000e-01 -1.4216270000e+00  9.1994000000e-02
+ENERGY -1.526561875801e+02
+FORCES  4.6082000000e-03 -2.0955000000e-03 -2.5598000000e-03 -1.1585000000e-03  3.5309000000e-03  4.2118000000e-03 -2.8835000000e-03 -1.5779000000e-03 -2.4111000000e-03 -3.1998000000e-03  3.2524000000e-03  6.0154000000e-03 -9.1110000000e-04 -4.8090000000e-04 -3.3307000000e-03  3.5447000000e-03 -2.6291000000e-03 -1.9255000000e-03
+
+JOB 25
+COORDS  7.3926200000e-01 -6.8473000000e-02 -1.4339150000e+00  2.1419000000e-01 -4.4033300000e-01 -2.1426120000e+00  1.6268100000e-01 -9.2048000000e-02 -6.7021900000e-01 -6.6987800000e-01  6.2388000000e-02  1.3798070000e+00 -9.3607800000e-01  9.7850300000e-01  1.4579240000e+00 -4.9736300000e-01 -2.1495500000e-01  2.2795570000e+00
+ENERGY -1.526606020201e+02
+FORCES -4.7334000000e-03 -2.1544000000e-03  3.9828000000e-03  1.5576000000e-03  1.3769000000e-03  2.6323000000e-03  3.1079000000e-03  1.4733000000e-03 -9.0747000000e-03  5.1590000000e-04  1.6509000000e-03  6.3667000000e-03  1.2672000000e-03 -4.5342000000e-03 -6.9980000000e-04 -1.7151000000e-03  2.1876000000e-03 -3.2072000000e-03
+
+JOB 26
+COORDS -1.1902330000e+00 -1.1259370000e+00  2.8059000000e-02 -9.1742900000e-01 -1.1657560000e+00  9.4469600000e-01 -7.7707000000e-01 -3.3186200000e-01 -3.1101700000e-01  1.1231480000e+00  1.0823980000e+00 -1.3930000000e-03  9.9978400000e-01  5.2556800000e-01 -7.7012800000e-01  1.7967360000e+00  1.7093870000e+00 -2.6482200000e-01
+ENERGY -1.526554403062e+02
+FORCES  2.9479000000e-03  5.0632000000e-03  5.2397000000e-03 -2.0685000000e-03 -1.4220000000e-03 -3.5548000000e-03  1.3213000000e-03 -4.3225000000e-03 -3.3698000000e-03  4.7695000000e-03  1.5982000000e-03 -4.2784000000e-03 -4.2756000000e-03  2.2897000000e-03  4.8124000000e-03 -2.6946000000e-03 -3.2066000000e-03  1.1509000000e-03
+
+JOB 27
+COORDS -1.2674250000e+00  5.5098500000e-01 -6.7865600000e-01 -1.7085350000e+00  9.9285400000e-01  4.6883000000e-02 -1.9593070000e+00  3.9647300000e-01 -1.3218170000e+00  1.3326240000e+00 -6.2535300000e-01  7.1167300000e-01  2.0571330000e+00 -2.5186700000e-01  2.0984900000e-01  5.9245900000e-01 -4.5487000000e-02  5.3238900000e-01
+ENERGY -1.526581721296e+02
+FORCES -6.0705000000e-03 -5.6090000000e-04 -2.3547000000e-03  3.6648000000e-03 -2.5153000000e-03 -2.7330000000e-03  2.1964000000e-03  1.6679000000e-03  3.0593000000e-03 -3.0739000000e-03  3.9601000000e-03 -5.6895000000e-03 -2.0282000000e-03 -1.4684000000e-03  2.0158000000e-03  5.3115000000e-03 -1.0834000000e-03  5.7022000000e-03
+
+JOB 28
+COORDS -2.8913300000e-01  1.5129170000e+00  6.7587300000e-01  1.2659400000e-01  6.5101600000e-01  6.9886300000e-01 -1.1945890000e+00  1.3359010000e+00  4.2083000000e-01  3.1392100000e-01 -1.3949550000e+00 -6.2895900000e-01 -3.1067200000e-01 -1.7042890000e+00 -1.2850280000e+00  9.9036900000e-01 -2.0717220000e+00 -6.0372100000e-01
+ENERGY -1.526586667529e+02
+FORCES -9.7270000000e-04 -7.4486000000e-03 -2.8465000000e-03 -1.2061000000e-03  6.6155000000e-03  3.3234000000e-03  2.3230000000e-03  1.5442000000e-03  8.8350000000e-04  2.9940000000e-04 -4.4541000000e-03 -4.0723000000e-03  2.7170000000e-03  8.5300000000e-04  2.9902000000e-03 -3.1605000000e-03  2.8899000000e-03 -2.7830000000e-04
+
+JOB 29
+COORDS -1.0485800000e+00  1.2425950000e+00 -2.7117200000e-01 -9.0721200000e-01  3.8528700000e-01  1.3041100000e-01 -1.8537460000e+00  1.5667960000e+00  1.3235200000e-01  1.0185690000e+00 -1.1953220000e+00  2.4822200000e-01  1.7538680000e+00 -6.4827500000e-01 -2.8014000000e-02  1.3625270000e+00 -2.0883330000e+00  2.2689800000e-01
+ENERGY -1.526593008123e+02
+FORCES -1.2876000000e-03 -4.0787000000e-03  3.2313000000e-03 -3.7570000000e-03  6.9678000000e-03 -1.6326000000e-03  2.9284000000e-03 -1.5478000000e-03 -1.3611000000e-03  5.6372000000e-03 -1.7478000000e-03 -1.8481000000e-03 -2.7163000000e-03 -3.4600000000e-03  1.5631000000e-03 -8.0480000000e-04  3.8664000000e-03  4.7500000000e-05
+
+JOB 30
+COORDS -1.1137940000e+00 -9.6001300000e-01  6.1156900000e-01 -1.1492930000e+00 -1.7630890000e+00  1.1312240000e+00 -1.7667210000e+00 -3.8596300000e-01  1.0120500000e+00  1.1777030000e+00  1.0105620000e+00 -6.1894500000e-01  2.6843900000e-01  7.1384700000e-01 -6.5677200000e-01  1.6082540000e+00  5.5781100000e-01 -1.3441170000e+00
+ENERGY -1.526571569271e+02
+FORCES -1.5726000000e-03 -2.5538000000e-03  5.4258000000e-03 -7.1730000000e-04  3.3337000000e-03 -1.9477000000e-03  3.1239000000e-03 -2.0503000000e-03 -2.5758000000e-03 -3.6525000000e-03 -5.9531000000e-03 -1.3440000000e-03  3.9117000000e-03  5.3609000000e-03 -1.9981000000e-03 -1.0932000000e-03  1.8627000000e-03  2.4398000000e-03
+
+JOB 31
+COORDS  1.4337520000e+00  5.8074900000e-01  5.9335400000e-01  9.3047500000e-01 -1.8875500000e-01  8.5945000000e-01  1.3402970000e+00  1.1928230000e+00  1.3233300000e+00 -1.4672330000e+00 -5.7893100000e-01 -6.3521100000e-01 -7.6198700000e-01 -4.5722400000e-01  4.3600000000e-04 -1.0186120000e+00 -6.8411500000e-01 -1.4742030000e+00
+ENERGY -1.526521415862e+02
+FORCES -5.3840000000e-04  8.8350000000e-04  5.7472000000e-03 -3.1250000000e-03  3.5453000000e-03 -4.8760000000e-03  6.0740000000e-04 -3.1878000000e-03 -3.5413000000e-03  6.2022000000e-03  2.6878000000e-03 -2.6455000000e-03 -3.8660000000e-04 -3.4335000000e-03  1.9656000000e-03 -2.7597000000e-03 -4.9520000000e-04  3.3499000000e-03
+
+JOB 32
+COORDS -1.0720390000e+00  9.8323800000e-01  6.5911300000e-01 -1.6044530000e+00  8.2071600000e-01  1.4378000000e+00 -8.2843700000e-01  1.9066870000e+00  7.2340300000e-01  1.1488230000e+00 -1.0399960000e+00 -6.7258200000e-01  1.1237400000e+00 -8.5677800000e-01 -1.6117490000e+00  2.3772000000e-01 -9.6465100000e-01 -3.8895400000e-01
+ENERGY -1.526576744678e+02
+FORCES  2.1780000000e-04  4.9354000000e-03  3.8055000000e-03  2.3999000000e-03  3.9190000000e-04 -3.4998000000e-03 -2.1155000000e-03 -3.5094000000e-03  8.4300000000e-05 -5.8461000000e-03  3.4829000000e-03 -9.6410000000e-04  5.1220000000e-04 -6.7310000000e-04  3.1570000000e-03  4.8316000000e-03 -4.6277000000e-03 -2.5829000000e-03
+
+JOB 33
+COORDS -1.6457150000e+00 -4.5516100000e-01  6.6131000000e-02 -7.2397200000e-01 -2.1368700000e-01 -2.5039000000e-02 -1.8870180000e+00 -1.5457600000e-01  9.4228900000e-01  1.5579910000e+00  3.9483600000e-01 -1.2784800000e-01  1.8412830000e+00  5.3056000000e-01  7.7634000000e-01  2.2233600000e+00  8.3534400000e-01 -6.5649500000e-01
+ENERGY -1.526593584267e+02
+FORCES  5.3483000000e-03  2.7520000000e-03  1.6022000000e-03 -8.4585000000e-03 -2.3146000000e-03  2.1704000000e-03  1.0327000000e-03 -1.0857000000e-03 -2.7705000000e-03  6.2060000000e-03  2.9368000000e-03 -2.2270000000e-04 -2.0838000000e-03 -4.3770000000e-04 -4.0063000000e-03 -2.0448000000e-03 -1.8509000000e-03  3.2268000000e-03
+
+JOB 34
+COORDS  1.0975600000e+00 -9.8662300000e-01  7.8897000000e-01  7.2659500000e-01 -2.0651800000e-01  1.2013440000e+00  8.2436300000e-01 -1.7095520000e+00  1.3537440000e+00 -1.0113050000e+00  1.0169850000e+00 -8.1054900000e-01 -1.9549160000e+00  1.1379450000e+00 -9.1636800000e-01 -7.9779100000e-01  2.8134600000e-01 -1.3845520000e+00
+ENERGY -1.526572768872e+02
+FORCES -3.3671000000e-03  2.1644000000e-03  4.0478000000e-03  3.2478000000e-03 -4.8311000000e-03  8.1800000000e-05  8.1250000000e-04  2.7377000000e-03 -2.3885000000e-03 -1.9935000000e-03 -3.4784000000e-03 -3.8705000000e-03  3.8338000000e-03 -8.3190000000e-04  6.8580000000e-04 -2.5336000000e-03  4.2394000000e-03  1.4436000000e-03
+
+JOB 35
+COORDS  7.9079400000e-01 -1.1744300000e+00  1.0441270000e+00  1.5448060000e+00 -5.8478300000e-01  1.0478870000e+00  2.6172300000e-01 -8.8272600000e-01  3.0168200000e-01 -7.6054700000e-01  1.0848420000e+00 -9.7091200000e-01 -5.4288900000e-01  1.8299010000e+00 -1.5310410000e+00 -1.7170940000e+00  1.0503090000e+00 -9.7843400000e-01
+ENERGY -1.526587053036e+02
+FORCES -2.8230000000e-04  6.0739000000e-03 -4.5259000000e-03 -1.6741000000e-03 -2.6885000000e-03  6.5080000000e-04  2.4505000000e-03 -5.0053000000e-03  4.5188000000e-03 -3.4712000000e-03  4.5154000000e-03 -2.8052000000e-03 -1.3918000000e-03 -2.9418000000e-03  2.4576000000e-03  4.3689000000e-03  4.6400000000e-05 -2.9620000000e-04
+
+JOB 36
+COORDS  1.5914240000e+00  3.5418000000e-01  3.7470900000e-01  1.8859940000e+00  9.8745800000e-01  1.0292470000e+00  2.2550710000e+00 -3.3538300000e-01  3.9224800000e-01 -1.6936680000e+00 -3.5487900000e-01 -3.8662400000e-01 -1.0660900000e+00 -1.0208270000e+00 -6.6750000000e-01 -1.2700730000e+00  4.7756400000e-01 -5.9599700000e-01
+ENERGY -1.526563889358e+02
+FORCES  4.1732000000e-03 -1.7240000000e-04  4.0436000000e-03 -9.5170000000e-04 -2.5719000000e-03 -3.0225000000e-03 -2.9967000000e-03  2.7387000000e-03 -2.6900000000e-04  7.7018000000e-03  1.4431000000e-03 -7.3310000000e-04 -3.7234000000e-03  8.4170000000e-04  1.2560000000e-04 -4.2031000000e-03 -2.2792000000e-03 -1.4450000000e-04
+
+JOB 37
+COORDS  1.3567370000e+00 -9.3713000000e-01  4.2443500000e-01  1.5602940000e+00 -4.9894700000e-01 -4.0187800000e-01  2.1743760000e+00 -1.3664520000e+00  6.7619200000e-01 -1.4140320000e+00  9.7640600000e-01 -4.5013000000e-01 -6.9507200000e-01  8.2814600000e-01  1.6415500000e-01 -2.1308610000e+00  4.3774700000e-01 -1.1511700000e-01
+ENERGY -1.526577786932e+02
+FORCES  5.4171000000e-03 -1.5505000000e-03 -2.6197000000e-03 -9.2750000000e-04 -1.1918000000e-03  4.8546000000e-03 -3.3146000000e-03  1.6507000000e-03 -1.5688000000e-03  2.5720000000e-04 -4.1829000000e-03  5.1436000000e-03 -3.4690000000e-03  2.7052000000e-03 -4.3211000000e-03  2.0368000000e-03  2.5693000000e-03 -1.4886000000e-03
+
+JOB 38
+COORDS  4.6416400000e-01  8.9524800000e-01 -1.4447940000e+00  1.2351990000e+00  4.6156500000e-01 -1.0792030000e+00  4.5205600000e-01  1.7560910000e+00 -1.0264220000e+00 -5.1714200000e-01 -9.8313300000e-01  1.3825670000e+00 -1.1309520000e+00 -2.6666900000e-01  1.2208630000e+00  2.3294000000e-01 -5.6558600000e-01  1.8059620000e+00
+ENERGY -1.526536257361e+02
+FORCES  3.6072000000e-03  1.3710000000e-04  2.7148000000e-03 -2.5552000000e-03  3.0129000000e-03 -1.5058000000e-03 -5.5530000000e-04 -3.9176000000e-03 -8.5170000000e-04 -4.5830000000e-04  5.2068000000e-03 -6.5050000000e-04  2.2677000000e-03 -2.8879000000e-03  2.4453000000e-03 -2.3062000000e-03 -1.5512000000e-03 -2.1520000000e-03
+
+JOB 39
+COORDS  5.6721300000e-01 -1.5791630000e+00 -3.3487400000e-01  1.1969320000e+00 -1.5960200000e+00 -1.0555690000e+00  1.0350480000e+00 -1.9723680000e+00  4.0184300000e-01 -6.2011900000e-01  1.6656550000e+00  3.5016600000e-01 -1.4468400000e+00  1.1835620000e+00  3.6888900000e-01  3.4445000000e-02  1.0102950000e+00  1.0875100000e-01
+ENERGY -1.526587003683e+02
+FORCES  4.8032000000e-03 -4.8633000000e-03 -2.9630000000e-04 -2.7694000000e-03  7.3740000000e-04  3.6481000000e-03 -1.9871000000e-03  2.0665000000e-03 -3.5323000000e-03 -4.1480000000e-04 -7.3512000000e-03 -1.4746000000e-03  2.1458000000e-03  2.9289000000e-03  3.6750000000e-04 -1.7778000000e-03  6.4816000000e-03  1.2876000000e-03
+
+JOB 40
+COORDS -9.1596400000e-01 -1.1909970000e+00 -9.9427000000e-01 -3.0811500000e-01 -6.2469800000e-01 -5.1881600000e-01 -6.6904900000e-01 -2.0788790000e+00 -7.3555900000e-01  8.1923600000e-01  1.1896500000e+00  9.1124100000e-01  9.1037700000e-01  1.0071170000e+00  1.8464450000e+00  1.5574810000e+00  1.7631820000e+00  7.0560500000e-01
+ENERGY -1.526588571672e+02
+FORCES  4.2024000000e-03  9.5610000000e-04  3.7544000000e-03 -4.1501000000e-03 -6.0648000000e-03 -4.1556000000e-03 -9.1760000000e-04  3.1034000000e-03 -7.8330000000e-04  3.9766000000e-03  3.9382000000e-03  3.9547000000e-03 -1.2000000000e-05  5.9250000000e-04 -4.2861000000e-03 -3.0993000000e-03 -2.5253000000e-03  1.5160000000e-03
+
+JOB 41
+COORDS  1.2077550000e+00 -9.2127800000e-01  7.7402400000e-01  1.3226890000e+00 -1.8595180000e+00  6.2327300000e-01  1.8742200000e+00 -6.9927100000e-01  1.4242310000e+00 -1.2407290000e+00  9.3881400000e-01 -8.5020900000e-01 -2.1250750000e+00  9.8310600000e-01 -4.8661400000e-01 -6.9364600000e-01  1.3883660000e+00 -2.0613200000e-01
+ENERGY -1.526541464799e+02
+FORCES  2.9167000000e-03 -4.5052000000e-03  8.3490000000e-04 -3.2000000000e-05  3.8121000000e-03  1.2235000000e-03 -3.2992000000e-03 -1.7640000000e-04 -2.8006000000e-03  6.0540000000e-04  5.7300000000e-04  5.4119000000e-03  3.2433000000e-03 -2.1960000000e-04 -1.5735000000e-03 -3.4343000000e-03  5.1610000000e-04 -3.0961000000e-03
+
+JOB 42
+COORDS  1.2102200000e-01  1.4464620000e+00 -1.1633820000e+00 -2.4526000000e-02  7.0568400000e-01 -5.7491400000e-01  5.4161700000e-01  2.1091550000e+00 -6.1550400000e-01 -1.4384300000e-01 -1.3826540000e+00  1.1117290000e+00 -7.6681400000e-01 -2.0459470000e+00  8.1477200000e-01  6.3480000000e-01 -1.8798120000e+00  1.3622880000e+00
+ENERGY -1.526589178402e+02
+FORCES  7.7970000000e-04 -1.8742000000e-03  5.9681000000e-03  4.6230000000e-04  5.7894000000e-03 -5.2318000000e-03 -1.2810000000e-03 -2.0609000000e-03 -2.2624000000e-03  6.5340000000e-04 -6.7884000000e-03  1.2038000000e-03  2.9946000000e-03  2.9380000000e-03  1.2776000000e-03 -3.6089000000e-03  1.9961000000e-03 -9.5540000000e-04
+
+JOB 43
+COORDS -1.2712600000e+00  7.9867200000e-01  1.1190460000e+00 -1.3983870000e+00  6.4116300000e-01  1.8349100000e-01 -1.1453850000e+00 -7.2898000000e-02  1.4942170000e+00  1.2562060000e+00 -7.1858900000e-01 -1.0329210000e+00  1.2820770000e+00 -3.0882800000e-01 -1.8975930000e+00  1.5460490000e+00 -1.6181100000e+00 -1.1848560000e+00
+ENERGY -1.526551786682e+02
+FORCES  2.6645000000e-03 -5.3477000000e-03 -3.4933000000e-03 -1.5499000000e-03  1.7650000000e-03  3.5684000000e-03 -1.7587000000e-03  3.3356000000e-03 -2.4240000000e-04  2.9543000000e-03 -1.7046000000e-03 -4.4447000000e-03 -7.5430000000e-04 -1.9041000000e-03  3.7285000000e-03 -1.5559000000e-03  3.8560000000e-03  8.8350000000e-04
+
+JOB 44
+COORDS  3.4666700000e-01 -2.1864700000e-01 -1.8214780000e+00  1.1060270000e+00 -1.2866900000e-01 -1.2457100000e+00  5.9921000000e-02  6.8024200000e-01 -1.9827440000e+00 -3.3162300000e-01  1.2663000000e-01  1.7567090000e+00 -1.3937100000e-01  8.6846000000e-01  2.3302570000e+00 -1.2789230000e+00  8.4340000000e-03  1.8266000000e+00
+ENERGY -1.526548570812e+02
+FORCES  1.6515000000e-03  3.9479000000e-03  4.3886000000e-03 -1.7819000000e-03 -2.2370000000e-04 -4.2453000000e-03  9.6730000000e-04 -3.2770000000e-03 -1.7880000000e-04 -4.3462000000e-03  1.4914000000e-03  2.6071000000e-03 -4.5510000000e-04 -2.8925000000e-03 -2.9847000000e-03  3.9644000000e-03  9.5390000000e-04  4.1310000000e-04
+
+JOB 45
+COORDS -1.8236600000e-01  1.1387590000e+00  1.4020830000e+00 -4.2718000000e-01  2.0123460000e+00  1.7072770000e+00 -1.0083060000e+00  7.4009000000e-01  1.1280070000e+00  2.5175000000e-01 -1.1767950000e+00 -1.4705740000e+00  6.3162000000e-02 -1.8058020000e+00 -7.7414200000e-01  4.2347800000e-01 -3.5467000000e-01 -1.0113870000e+00
+ENERGY -1.526568843121e+02
+FORCES -4.9061000000e-03  3.6983000000e-03  2.0175000000e-03  7.4320000000e-04 -3.9080000000e-03 -1.1436000000e-03  4.6702000000e-03  1.1357000000e-03  4.1460000000e-04  1.7771000000e-03  1.3251000000e-03  5.2671000000e-03 -1.9230000000e-04  2.4065000000e-03 -2.9378000000e-03 -2.0921000000e-03 -4.6576000000e-03 -3.6178000000e-03
+
+JOB 46
+COORDS -5.8273100000e-01  2.1122900000e-01 -1.7724840000e+00 -1.2679760000e+00 -4.4893500000e-01 -1.6683010000e+00  2.2075000000e-01 -2.3176200000e-01 -1.4997020000e+00  5.8822700000e-01 -1.3578500000e-01  1.6916400000e+00 -2.7323400000e-01 -3.3690100000e-01  2.0572470000e+00  1.1975520000e+00 -2.9194500000e-01  2.4131450000e+00
+ENERGY -1.526552283687e+02
+FORCES  1.7990000000e-03 -4.2455000000e-03  3.2894000000e-03  2.1406000000e-03  2.5827000000e-03 -4.4830000000e-04 -3.5963000000e-03  1.2887000000e-03 -3.5080000000e-03 -1.5215000000e-03 -3.7920000000e-04  5.3129000000e-03  3.7741000000e-03  1.4770000000e-04 -1.4415000000e-03 -2.5960000000e-03  6.0560000000e-04 -3.2044000000e-03
+
+JOB 47
+COORDS  1.4744500000e+00 -1.0026260000e+00 -2.4011400000e-01  2.3365500000e+00 -5.9242500000e-01 -3.0903900000e-01  1.5857290000e+00 -1.8640800000e+00 -6.4228900000e-01 -1.5346470000e+00  1.0293150000e+00  3.2970000000e-01 -2.2206040000e+00  1.1793550000e+00 -3.2082500000e-01 -7.4243600000e-01  8.8114500000e-01 -1.8671100000e-01
+ENERGY -1.526564749075e+02
+FORCES  4.8034000000e-03 -3.6946000000e-03 -1.1126000000e-03 -4.0469000000e-03 -1.4876000000e-03 -4.5100000000e-05 -7.0800000000e-05  3.8015000000e-03  1.5502000000e-03  2.0495000000e-03 -1.4877000000e-03 -4.5316000000e-03  2.5417000000e-03 -6.1750000000e-04  2.4391000000e-03 -5.2769000000e-03  3.4859000000e-03  1.7000000000e-03
+
+JOB 48
+COORDS -1.3421900000e+00  1.1528450000e+00 -5.9096100000e-01 -2.1114610000e+00  1.2107540000e+00 -1.1576190000e+00 -1.6654110000e+00  7.4282600000e-01  2.1131400000e-01  1.4157730000e+00 -1.0686220000e+00  5.9134900000e-01  9.7313500000e-01 -1.7221470000e+00  1.1328360000e+00  1.6330160000e+00 -1.5336830000e+00 -2.1658400000e-01
+ENERGY -1.526531806184e+02
+FORCES -3.5997000000e-03 -1.6261000000e-03  1.9932000000e-03  3.4513000000e-03 -4.9750000000e-04  2.1280000000e-03  1.2940000000e-04  1.8381000000e-03 -3.4098000000e-03 -7.5110000000e-04 -4.0465000000e-03 -2.4182000000e-03  1.2166000000e-03  3.0311000000e-03 -1.9951000000e-03 -4.4640000000e-04  1.3010000000e-03  3.7020000000e-03
+
+JOB 49
+COORDS -1.8452690000e+00  2.5375000000e-01 -2.6113100000e-01 -1.7893810000e+00  1.0536260000e+00  2.6165700000e-01 -2.3497920000e+00 -3.5259500000e-01  2.8111900000e-01  1.8183980000e+00 -2.3395700000e-01  2.1953900000e-01  1.8935240000e+00 -1.1730470000e+00  5.0133000000e-02  2.7114690000e+00  9.8419000000e-02  1.2909100000e-01
+ENERGY -1.526533896745e+02
+FORCES -7.0400000000e-05  1.2892000000e-03  4.9158000000e-03 -1.4636000000e-03 -2.8851000000e-03 -2.2298000000e-03  1.9055000000e-03  2.0883000000e-03 -2.3615000000e-03  3.2185000000e-03 -3.0886000000e-03 -1.9784000000e-03  2.9400000000e-04  3.6826000000e-03  1.1760000000e-03 -3.8839000000e-03 -1.0863000000e-03  4.7790000000e-04
+
+JOB 50
+COORDS  1.8840480000e+00 -2.1849500000e-01  4.0233600000e-01  1.5690650000e+00  1.5066100000e-01 -4.2273400000e-01  2.5793080000e+00 -8.2378200000e-01  1.4450900000e-01 -1.8833270000e+00  3.0093100000e-01 -3.1800200000e-01 -1.3639530000e+00 -3.1245400000e-01 -8.3785000000e-01 -2.7133000000e+00 -1.5247100000e-01 -1.7034300000e-01
+ENERGY -1.526535078693e+02
+FORCES  1.9317000000e-03  2.2120000000e-04 -3.9347000000e-03  1.1084000000e-03 -2.7465000000e-03  2.8706000000e-03 -3.2544000000e-03  2.3713000000e-03  1.0865000000e-03 -1.3800000000e-03 -5.0840000000e-03 -2.6350000000e-04 -1.6616000000e-03  3.2955000000e-03  1.0215000000e-03  3.2558000000e-03  1.9425000000e-03 -7.8050000000e-04
+
+JOB 51
+COORDS  5.9807800000e-01  1.0288920000e+00  1.6331140000e+00  1.4131850000e+00  5.6857900000e-01  1.4332550000e+00 -8.7441000000e-02  4.7832400000e-01  1.2547340000e+00 -5.9088100000e-01 -9.4585300000e-01 -1.5396960000e+00 -1.3688130000e+00 -1.4623090000e+00 -1.7502330000e+00 -8.0830000000e-02 -9.3915900000e-01 -2.3496560000e+00
+ENERGY -1.526566984150e+02
+FORCES -1.1470000000e-04 -4.8470000000e-03 -4.0841000000e-03 -2.4079000000e-03  2.1345000000e-03  1.3865000000e-03  2.5935000000e-03  2.9468000000e-03  3.8803000000e-03 -1.1809000000e-03 -1.9934000000e-03 -5.4786000000e-03  3.3339000000e-03  2.1831000000e-03  9.6570000000e-04 -2.2238000000e-03 -4.2390000000e-04  3.3301000000e-03
+
+JOB 52
+COORDS -1.8830490000e+00  4.3552800000e-01 -6.1976000000e-02 -2.1216870000e+00  4.3789300000e-01 -9.8894900000e-01 -2.1860590000e+00  1.2821960000e+00  2.6600300000e-01  1.8955640000e+00 -5.4604400000e-01  9.6297000000e-02  1.2851640000e+00  1.7904600000e-01  2.3004200000e-01  2.7365120000e+00 -1.2295400000e-01 -7.7009000000e-02
+ENERGY -1.526555893271e+02
+FORCES -4.1256000000e-03  2.5509000000e-03 -2.9671000000e-03  1.0018000000e-03  4.6420000000e-04  4.1225000000e-03  2.0311000000e-03 -3.4999000000e-03 -1.4051000000e-03 -6.5460000000e-04  4.5099000000e-03  1.8600000000e-04  5.1596000000e-03 -2.4461000000e-03 -5.1880000000e-04 -3.4123000000e-03 -1.5790000000e-03  5.8240000000e-04
+
+JOB 53
+COORDS  1.4886540000e+00  1.1223480000e+00  8.1591300000e-01  7.6992700000e-01  1.0627760000e+00  1.4452880000e+00  1.0568640000e+00  1.1979410000e+00 -3.5013000000e-02 -1.4266160000e+00 -1.0637360000e+00 -8.1429600000e-01 -1.3025810000e+00 -1.4469440000e+00  5.4035000000e-02 -1.3324530000e+00 -1.8008790000e+00 -1.4176080000e+00
+ENERGY -1.526559459154e+02
+FORCES -5.4871000000e-03  1.3830000000e-04 -1.9647000000e-03  3.0482000000e-03 -1.8930000000e-04 -1.7836000000e-03  3.0011000000e-03  5.5400000000e-04  3.9758000000e-03  6.3610000000e-04 -5.7855000000e-03  6.1600000000e-04 -6.5060000000e-04  2.2276000000e-03 -3.4029000000e-03 -5.4770000000e-04  3.0549000000e-03  2.5595000000e-03
+
+JOB 54
+COORDS -6.1548000000e-02 -1.3043610000e+00  1.5302840000e+00 -8.6608700000e-01 -1.1952860000e+00  2.0372860000e+00  2.0800500000e-01 -4.1198200000e-01  1.3129540000e+00  1.2719400000e-01  1.2033510000e+00 -1.5385870000e+00 -2.7610200000e-01  1.8105850000e+00 -9.1822400000e-01 -1.6834200000e-01  1.5059970000e+00 -2.3972470000e+00
+ENERGY -1.526538418365e+02
+FORCES -1.7192000000e-03  4.1384000000e-03 -2.4520000000e-04  3.1697000000e-03 -2.7000000000e-04 -2.0026000000e-03 -1.5722000000e-03 -3.2381000000e-03  2.6515000000e-03 -3.0855000000e-03  3.5953000000e-03 -2.6223000000e-03  1.9805000000e-03 -3.2217000000e-03 -1.4499000000e-03  1.2268000000e-03 -1.0039000000e-03  3.6685000000e-03
+
+JOB 55
+COORDS -7.2818700000e-01  1.5125990000e+00 -1.1006230000e+00 -3.4407100000e-01  2.3377620000e+00 -8.0432500000e-01 -9.8936000000e-01  1.0665080000e+00 -2.9500300000e-01  6.9009900000e-01 -1.5814240000e+00  1.0755560000e+00  1.5175600000e+00 -1.1585910000e+00  1.3052350000e+00  4.2878100000e-01 -1.1667220000e+00  2.5338400000e-01
+ENERGY -1.526554465117e+02
+FORCES -8.8570000000e-04  3.3525000000e-03  4.4622000000e-03 -1.4680000000e-03 -3.6763000000e-03 -1.2973000000e-03  2.5700000000e-03  8.0710000000e-04 -4.2805000000e-03  3.5150000000e-03  2.4257000000e-03 -3.3713000000e-03 -3.6372000000e-03 -1.5768000000e-03 -5.7280000000e-04 -9.4100000000e-05 -1.3322000000e-03  5.0596000000e-03
+
+JOB 56
+COORDS  1.4944620000e+00 -7.4049400000e-01  1.2041050000e+00  1.3972130000e+00 -2.0304700000e-01  1.9901880000e+00  1.9787160000e+00 -1.8578300000e-01  5.9252900000e-01 -1.4898680000e+00  6.2626400000e-01 -1.2403710000e+00 -2.2669340000e+00  1.0882010000e+00 -1.5550360000e+00 -1.2290420000e+00  1.1040620000e+00 -4.5302700000e-01
+ENERGY -1.526536547480e+02
+FORCES  2.2305000000e-03  3.5489000000e-03  2.3940000000e-04 -1.2080000000e-04 -1.8748000000e-03 -3.5161000000e-03 -2.1162000000e-03 -1.9226000000e-03  3.0973000000e-03 -2.2029000000e-03  3.1515000000e-03  2.4776000000e-03  3.2600000000e-03 -1.9476000000e-03  1.3261000000e-03 -1.0506000000e-03 -9.5540000000e-04 -3.6242000000e-03
+
+JOB 57
+COORDS  7.9326400000e-01  8.3350000000e-01 -1.7345170000e+00  1.6668580000e+00  1.2219050000e+00 -1.7814820000e+00  6.2087900000e-01  7.4311700000e-01 -7.9731600000e-01 -7.9419600000e-01 -7.9125700000e-01  1.6655720000e+00 -7.6438500000e-01 -1.1623320000e+00  2.5474150000e+00 -1.3867180000e+00 -1.3674080000e+00  1.1826660000e+00
+ENERGY -1.526567416669e+02
+FORCES  2.4722000000e-03  9.1310000000e-04  4.6600000000e-03 -3.2692000000e-03 -1.4277000000e-03  3.6000000000e-05  1.3698000000e-03  1.1671000000e-03 -5.6797000000e-03 -2.8584000000e-03 -4.5032000000e-03  2.3206000000e-03 -3.0490000000e-04  1.3690000000e-03 -3.6490000000e-03  2.5904000000e-03  2.4818000000e-03  2.3122000000e-03
+
+JOB 58
+COORDS  1.2720070000e+00 -1.2759080000e+00  9.4981000000e-01  1.3364870000e+00 -8.1839400000e-01  1.7881150000e+00  1.0031730000e+00 -2.1648550000e+00  1.1816170000e+00 -1.3218730000e+00  1.2862140000e+00 -1.0148130000e+00 -8.8282900000e-01  2.0813340000e+00 -7.1272600000e-01 -6.3181600000e-01  6.2309100000e-01 -1.0327500000e+00
+ENERGY -1.526563960480e+02
+FORCES -6.3810000000e-04 -2.6888000000e-03  5.2432000000e-03 -1.6750000000e-04 -1.7489000000e-03 -3.6649000000e-03  1.3028000000e-03  3.7550000000e-03 -8.7220000000e-04  5.3899000000e-03 -4.6470000000e-04  1.4189000000e-03 -1.9275000000e-03 -2.7322000000e-03 -1.0495000000e-03 -3.9596000000e-03  3.8796000000e-03 -1.0754000000e-03
+
+JOB 59
+COORDS  1.7772910000e+00  9.5436600000e-01 -5.3975300000e-01  1.9260880000e+00  1.6736470000e+00 -1.1535340000e+00  1.0129890000e+00  4.9556900000e-01 -8.8843500000e-01 -1.7070470000e+00 -9.6687000000e-01  6.5332100000e-01 -2.2753340000e+00 -3.0612900000e-01  2.5746300000e-01 -1.7442650000e+00 -1.7084510000e+00  4.9249000000e-02
+ENERGY -1.526541284303e+02
+FORCES -3.0314000000e-03  4.8800000000e-04 -3.0674000000e-03 -7.7420000000e-04 -2.9041000000e-03  2.4872000000e-03  3.8593000000e-03  2.4614000000e-03 -4.7700000000e-05 -3.6876000000e-03 -9.4080000000e-04 -2.6628000000e-03  2.9939000000e-03 -2.7648000000e-03  1.1332000000e-03  6.4000000000e-04  3.6603000000e-03  2.1574000000e-03
+
+JOB 60
+COORDS  1.2892920000e+00  1.2888910000e+00 -1.0338030000e+00  8.1501200000e-01  2.0780160000e+00 -1.2956630000e+00  1.4981080000e+00  1.4297320000e+00 -1.1033600000e-01 -1.2281780000e+00 -1.3731060000e+00  1.0503720000e+00 -2.0540990000e+00 -8.9759500000e-01  1.1396800000e+00 -1.0792600000e+00 -1.4201760000e+00  1.0599900000e-01
+ENERGY -1.526553591490e+02
+FORCES -4.3580000000e-04  3.9174000000e-03  3.3686000000e-03  1.6360000000e-03 -3.3837000000e-03  1.0053000000e-03 -6.8350000000e-04 -3.6300000000e-05 -4.3044000000e-03 -2.2720000000e-03  1.6673000000e-03 -4.3121000000e-03  3.2794000000e-03 -1.7172000000e-03 -1.6840000000e-04 -1.5241000000e-03 -4.4750000000e-04  4.4110000000e-03
+
+JOB 61
+COORDS  1.9249580000e+00  2.5505800000e-01 -7.5754000000e-01  2.7846360000e+00  6.6963700000e-01 -8.3039900000e-01  2.1066680000e+00 -6.1221300000e-01 -3.9552600000e-01 -2.0016780000e+00 -2.7710200000e-01  7.7003500000e-01 -1.1038530000e+00  5.1825000000e-02  8.1418600000e-01 -2.4535510000e+00  3.3578400000e-01  1.9002400000e-01
+ENERGY -1.526561078337e+02
+FORCES  5.3223000000e-03 -2.0155000000e-03  3.1940000000e-04 -3.5387000000e-03 -1.8709000000e-03  2.9090000000e-04 -1.0126000000e-03  4.0647000000e-03 -1.1050000000e-03  2.5579000000e-03  4.3227000000e-03 -2.9357000000e-03 -4.5365000000e-03 -2.0703000000e-03  9.3090000000e-04  1.2076000000e-03 -2.4306000000e-03  2.4995000000e-03
+
+JOB 62
+COORDS -1.7583790000e+00  8.7802100000e-01  1.0325500000e+00 -1.6485170000e+00  2.6424000000e-01  3.0630300000e-01 -1.1459700000e+00  1.5883460000e+00  8.4117300000e-01  1.6764080000e+00 -8.9963200000e-01 -9.1966300000e-01  1.7902280000e+00 -8.5407000000e-02 -1.4098810000e+00  2.2065100000e+00 -1.5408520000e+00 -1.3930140000e+00
+ENERGY -1.526547751408e+02
+FORCES  3.9406000000e-03 -6.8450000000e-04 -3.6231000000e-03 -1.5781000000e-03  3.2807000000e-03  2.8091000000e-03 -2.6902000000e-03 -2.2353000000e-03  6.0140000000e-04  3.7626000000e-03 -6.3300000000e-05 -3.9308000000e-03 -1.2230000000e-03 -3.1317000000e-03  2.2504000000e-03 -2.2120000000e-03  2.8341000000e-03  1.8931000000e-03
+
+JOB 63
+COORDS -5.9042700000e-01 -5.2484100000e-01 -2.1053980000e+00  3.4670900000e-01 -3.3038800000e-01 -2.0914410000e+00 -9.7225000000e-01  8.8909000000e-02 -1.4779010000e+00  5.0340800000e-01  4.5841300000e-01  2.0310130000e+00  9.8698400000e-01 -2.9339000000e-02  2.6977100000e+00  9.5359300000e-01  1.3013890000e+00  1.9766390000e+00
+ENERGY -1.526550854710e+02
+FORCES  2.3432000000e-03  3.0306000000e-03  4.1529000000e-03 -3.4945000000e-03 -6.5520000000e-04 -8.7270000000e-04  1.1166000000e-03 -2.0245000000e-03 -3.7657000000e-03  3.8847000000e-03  8.9990000000e-04  3.6112000000e-03 -1.8744000000e-03  2.3056000000e-03 -2.7333000000e-03 -1.9756000000e-03 -3.5564000000e-03 -3.9240000000e-04
+
+JOB 64
+COORDS  8.0273700000e-01 -1.9417080000e+00  4.4874700000e-01  5.0372000000e-01 -2.7428450000e+00  1.8630000000e-02  1.7511720000e+00 -2.0482470000e+00  5.2191100000e-01 -8.1598100000e-01  2.0454160000e+00 -4.1362300000e-01 -1.7225190000e+00  1.7540870000e+00 -5.1133700000e-01 -2.9167800000e-01  1.2715300000e+00 -6.1962800000e-01
+ENERGY -1.526557476625e+02
+FORCES  3.1644000000e-03 -4.6094000000e-03 -5.8020000000e-04  1.1701000000e-03  3.5641000000e-03  1.6370000000e-03 -4.0812000000e-03  4.2050000000e-04 -5.6270000000e-04 -1.1350000000e-03 -5.4505000000e-03 -4.4840000000e-04  3.2431000000e-03  1.4934000000e-03  1.1650000000e-04 -2.3614000000e-03  4.5820000000e-03 -1.6220000000e-04
+
+JOB 65
+COORDS -1.8426380000e+00  6.6071000000e-01 -1.1994470000e+00 -2.1198440000e+00  1.5768400000e+00 -1.2091890000e+00 -1.7337770000e+00  4.5277200000e-01 -2.7147000000e-01  1.8775420000e+00 -7.3848700000e-01  1.1872630000e+00  2.1051100000e+00  1.6899900000e-01  9.8499000000e-01  1.1074150000e+00 -9.1866900000e-01  6.4812300000e-01
+ENERGY -1.526543940833e+02
+FORCES -2.0413000000e-03  3.4045000000e-03  3.4428000000e-03  1.3112000000e-03 -3.9040000000e-03  8.4300000000e-05  7.9640000000e-04  4.7960000000e-04 -4.0750000000e-03 -1.5321000000e-03  2.6726000000e-03 -3.9314000000e-03 -1.1279000000e-03 -3.6227000000e-03  1.2778000000e-03  2.5937000000e-03  9.7000000000e-04  3.2015000000e-03
+
+JOB 66
+COORDS  1.1353660000e+00 -1.1537900000e+00  1.7202430000e+00  2.2519900000e-01 -1.4112220000e+00  1.8670660000e+00  1.0836740000e+00 -2.4173700000e-01  1.4343780000e+00 -1.0710420000e+00  1.1761340000e+00 -1.7135510000e+00 -1.6037760000e+00  7.7632200000e-01 -1.0261090000e+00 -9.0067000000e-01  4.6388700000e-01 -2.3299200000e+00
+ENERGY -1.526543517714e+02
+FORCES -3.3854000000e-03  3.1088000000e-03 -3.9530000000e-04  3.4396000000e-03  1.0392000000e-03 -9.5370000000e-04 -6.9100000000e-05 -4.2889000000e-03  1.5552000000e-03 -1.8175000000e-03 -4.5912000000e-03 -7.6940000000e-04  2.6917000000e-03  1.6343000000e-03 -2.1552000000e-03 -8.5930000000e-04  3.0977000000e-03  2.7186000000e-03
+
+JOB 67
+COORDS  1.1532970000e+00 -9.6664400000e-01 -1.7500350000e+00  4.8278200000e-01 -1.4945630000e+00 -2.1835590000e+00  1.4645940000e+00 -3.6878500000e-01 -2.4296600000e+00 -1.1103530000e+00  9.7602300000e-01  1.8698540000e+00 -7.4064800000e-01  1.2280210000e+00  1.0236590000e+00 -1.9016490000e+00  4.8467000000e-01  1.6492770000e+00
+ENERGY -1.526545425394e+02
+FORCES -6.7490000000e-04 -5.1710000000e-04 -4.9684000000e-03  2.5411000000e-03  2.5038000000e-03  1.9500000000e-03 -1.6004000000e-03 -2.2874000000e-03  3.0401000000e-03 -8.3240000000e-04 -1.6425000000e-03 -4.8034000000e-03 -2.2423000000e-03 -1.2980000000e-04  3.7869000000e-03  2.8089000000e-03  2.0731000000e-03  9.9480000000e-04
+
+JOB 68
+COORDS  1.6674650000e+00 -1.4630100000e-01 -1.7653680000e+00  9.0580100000e-01  4.2435100000e-01 -1.6631090000e+00  1.6840160000e+00 -6.7027400000e-01 -9.6448700000e-01 -1.6245980000e+00  1.7195900000e-01  1.6527100000e+00 -9.6934300000e-01  2.1467500000e-01  2.3491630000e+00 -2.3423220000e+00 -3.3718900000e-01  2.0293680000e+00
+ENERGY -1.526553350464e+02
+FORCES -3.9422000000e-03  2.0890000000e-04  3.9226000000e-03  3.7259000000e-03 -2.0987000000e-03 -9.7200000000e-04  6.6830000000e-04  1.9144000000e-03 -3.1714000000e-03 -1.1485000000e-03 -1.7827000000e-03  4.9547000000e-03 -2.4127000000e-03 -3.6640000000e-04 -3.2757000000e-03  3.1091000000e-03  2.1245000000e-03 -1.4583000000e-03
+
+JOB 69
+COORDS  9.3256500000e-01  1.1284110000e+00  1.9954630000e+00  1.0199100000e+00  1.4160920000e+00  1.0867040000e+00  8.7615000000e-02  1.4784820000e+00  2.2778510000e+00 -8.7302500000e-01 -1.1461200000e+00 -2.0205280000e+00 -1.5944600000e+00 -7.8001800000e-01 -1.5089310000e+00 -4.8989600000e-01 -1.8137190000e+00 -1.4515330000e+00
+ENERGY -1.526546836851e+02
+FORCES -2.5951000000e-03  3.1197000000e-03 -2.6118000000e-03 -5.7800000000e-04 -1.2870000000e-03  4.1176000000e-03  3.2615000000e-03 -1.7072000000e-03 -1.2528000000e-03 -1.4369000000e-03 -1.9367000000e-03  4.4297000000e-03  3.0336000000e-03 -1.0516000000e-03 -2.0945000000e-03 -1.6851000000e-03  2.8627000000e-03 -2.5883000000e-03
+
+JOB 70
+COORDS -1.2623740000e+00  7.9620900000e-01 -1.9387430000e+00 -2.0028080000e+00  4.5446000000e-01 -2.4399380000e+00 -1.5861470000e+00  8.5130100000e-01 -1.0396510000e+00  1.3570500000e+00 -8.0187600000e-01  1.8760330000e+00  1.6097730000e+00 -4.9503000000e-01  2.7467850000e+00  4.0739900000e-01 -6.8550300000e-01  1.8468330000e+00
+ENERGY -1.526531783326e+02
+FORCES -4.1621000000e-03 -1.1722000000e-03  1.3346000000e-03  3.0620000000e-03  1.4476000000e-03  2.1446000000e-03  1.2841000000e-03 -4.1560000000e-04 -3.2715000000e-03 -2.5900000000e-03  1.7227000000e-03  3.2504000000e-03 -1.1013000000e-03 -1.2844000000e-03 -3.6219000000e-03  3.5073000000e-03 -2.9800000000e-04  1.6380000000e-04
+
+JOB 71
+COORDS -3.0153000000e-01  2.1497390000e+00 -1.1409580000e+00  2.0638500000e-01  2.0730400000e+00 -3.3326300000e-01 -1.0779100000e-01  3.0298430000e+00 -1.4636250000e+00  2.5172500000e-01 -2.1759270000e+00  1.0555720000e+00 -3.4980200000e-01 -2.2016250000e+00  1.7997070000e+00  1.0865050000e+00 -2.4807920000e+00  1.4111430000e+00
+ENERGY -1.526538293608e+02
+FORCES  3.0267000000e-03  2.5573000000e-03  2.1501000000e-03 -2.0990000000e-03  1.1066000000e-03 -3.2881000000e-03 -8.1090000000e-04 -3.5738000000e-03  1.2858000000e-03  6.1700000000e-04 -1.7886000000e-03  4.2729000000e-03  2.6576000000e-03  2.2260000000e-04 -2.9761000000e-03 -3.3913000000e-03  1.4760000000e-03 -1.4444000000e-03
+
+JOB 72
+COORDS -1.8662180000e+00  6.5461700000e-01 -1.5808750000e+00 -1.5257480000e+00 -3.0804000000e-02 -2.1557750000e+00 -2.6764800000e+00  9.4090100000e-01 -2.0024770000e+00  1.8927160000e+00 -6.7219500000e-01  1.6890050000e+00  1.1115660000e+00 -3.0836800000e-01  1.2722730000e+00  2.6216360000e+00 -3.3526100000e-01  1.1680610000e+00
+ENERGY -1.526550829755e+02
+FORCES -2.6234000000e-03 -1.4904000000e-03 -4.3211000000e-03 -1.0998000000e-03  2.9079000000e-03  2.5782000000e-03  3.3804000000e-03 -1.2400000000e-03  1.5924000000e-03 -7.1080000000e-04  3.2604000000e-03 -3.7715000000e-03  3.8053000000e-03 -1.9222000000e-03  1.8783000000e-03 -2.7517000000e-03 -1.5158000000e-03  2.0437000000e-03
+
+JOB 73
+COORDS -1.4194650000e+00 -1.7418720000e+00 -1.2916980000e+00 -9.0309900000e-01 -1.4493240000e+00 -2.0427060000e+00 -1.8197180000e+00 -2.5620090000e+00 -1.5804960000e+00  1.4032830000e+00  1.8165170000e+00  1.3958160000e+00  1.9252390000e+00  1.8711890000e+00  5.9531300000e-01  1.0148840000e+00  9.4204400000e-01  1.3698060000e+00
+ENERGY -1.526546229622e+02
+FORCES -1.6490000000e-04 -2.4299000000e-03 -4.5038000000e-03 -1.7773000000e-03 -1.0943000000e-03  3.3472000000e-03  1.7308000000e-03  3.4040000000e-03  1.1157000000e-03  2.6700000000e-05 -3.6580000000e-03 -3.3055000000e-03 -1.9623000000e-03 -1.2770000000e-04  3.0985000000e-03  2.1470000000e-03  3.9060000000e-03  2.4790000000e-04
+
+JOB 74
+COORDS -2.1971390000e+00 -1.1805560000e+00 -1.0302330000e+00 -1.9701060000e+00 -9.4145600000e-01 -1.3161200000e-01 -3.0699340000e+00 -1.5676650000e+00 -9.6235600000e-01  2.2642310000e+00  1.2138730000e+00  9.2166400000e-01  2.1518490000e+00  1.5869410000e+00  1.7959760000e+00  1.8179910000e+00  3.6803900000e-01  9.6248300000e-01
+ENERGY -1.526536019066e+02
+FORCES -2.9891000000e-03 -4.4460000000e-04  3.6807000000e-03 -4.9800000000e-04 -1.1399000000e-03 -3.4584000000e-03  3.6478000000e-03  1.5939000000e-03 -2.3720000000e-04 -1.9964000000e-03 -1.9668000000e-03  3.4329000000e-03  3.0390000000e-04 -1.5960000000e-03 -3.5903000000e-03  1.5319000000e-03  3.5534000000e-03  1.7220000000e-04
+
+JOB 75
+COORDS  2.6006790000e+00 -4.6331000000e-01  7.8992600000e-01  3.3604530000e+00 -6.0426900000e-01  1.3548210000e+00  2.4798100000e+00 -1.2981470000e+00  3.3752300000e-01 -2.6629060000e+00  5.5024500000e-01 -8.5338800000e-01 -2.3265830000e+00  1.0000920000e+00 -7.8303000000e-02 -2.6366810000e+00 -3.7826000000e-01 -6.2225200000e-01
+ENERGY -1.526543731847e+02
+FORCES  2.9846000000e-03 -3.9032000000e-03  2.1280000000e-04 -3.1803000000e-03  5.4780000000e-04 -2.2849000000e-03  3.0400000000e-04  3.3578000000e-03  2.0424000000e-03  1.9798000000e-03 -1.7451000000e-03  4.2582000000e-03 -1.8291000000e-03 -1.8248000000e-03 -3.1698000000e-03 -2.5910000000e-04  3.5677000000e-03 -1.0587000000e-03
+
+JOB 76
+COORDS -2.7904180000e+00 -3.3932600000e-01  1.8273600000e-01 -3.0434900000e+00  3.8203400000e-01  7.5878000000e-01 -3.4952220000e+00 -9.8013700000e-01  2.7678000000e-01  2.8786080000e+00  3.5838900000e-01 -2.5689500000e-01  2.0884390000e+00 -1.4452200000e-01 -4.5424100000e-01  2.8828550000e+00  4.3405400000e-01  6.9730100000e-01
+ENERGY -1.526547687826e+02
+FORCES -4.3511000000e-03  4.2500000000e-04  2.5588000000e-03  1.1742000000e-03 -3.0514000000e-03 -2.2670000000e-03  2.9429000000e-03  2.6362000000e-03 -3.1810000000e-04 -3.6914000000e-03 -1.8270000000e-03  2.9300000000e-03  3.7479000000e-03  2.0305000000e-03  8.2420000000e-04  1.7750000000e-04 -2.1330000000e-04 -3.7279000000e-03
+
+JOB 77
+COORDS -1.7525400000e-01 -1.2086820000e+00  2.6437410000e+00 -1.6906500000e-01 -2.5405800000e-01  2.5738450000e+00  4.9456800000e-01 -1.4057180000e+00  3.2985280000e+00  1.4531100000e-01  1.2182490000e+00 -2.6593660000e+00  6.5178300000e-01  4.2772400000e-01 -2.4728510000e+00 -5.6341900000e-01  9.2023700000e-01 -3.2295610000e+00
+ENERGY -1.526545926683e+02
+FORCES  2.6169000000e-03  3.3171000000e-03  2.4801000000e-03  5.2900000000e-05 -4.0941000000e-03  4.0050000000e-04 -2.6878000000e-03  7.4760000000e-04 -2.7112000000e-03 -9.4890000000e-04 -4.6938000000e-03 -1.5487000000e-03 -1.9382000000e-03  3.4175000000e-03 -8.4910000000e-04  2.9051000000e-03  1.3057000000e-03  2.2283000000e-03
+
+JOB 78
+COORDS  3.1790000000e-02 -1.4003610000e+00  2.6315860000e+00 -8.4147900000e-01 -1.3911570000e+00  3.0234370000e+00  4.2374000000e-02 -2.1877740000e+00  2.0874350000e+00  6.0250000000e-03  1.4913920000e+00 -2.5761100000e+00  6.2519600000e-01  7.6799700000e-01 -2.4783430000e+00 -3.7412800000e-01  1.3660510000e+00 -3.4455960000e+00
+ENERGY -1.526538854903e+02
+FORCES -3.7531000000e-03 -2.9039000000e-03 -6.0640000000e-04  3.6160000000e-03 -1.9580000000e-04 -1.5133000000e-03  9.0000000000e-05  3.1617000000e-03  2.1082000000e-03  1.1749000000e-03 -3.4064000000e-03 -2.8878000000e-03 -2.6119000000e-03  2.8695000000e-03 -6.6520000000e-04  1.4841000000e-03  4.7480000000e-04  3.5644000000e-03
+
+JOB 79
+COORDS -9.5853000000e-02 -1.6456360000e+00  2.5166260000e+00 -6.3602300000e-01 -8.5905900000e-01  2.4408350000e+00  6.4064400000e-01 -1.3788930000e+00  3.0667640000e+00  6.7106000000e-02  1.5193950000e+00 -2.5353940000e+00 -2.5513300000e-01  2.1502370000e+00 -3.1791580000e+00  6.9727800000e-01  2.0128730000e+00 -2.0104240000e+00
+ENERGY -1.526538456634e+02
+FORCES  6.6090000000e-04  4.2945000000e-03  1.5703000000e-03  2.2810000000e-03 -3.1766000000e-03  6.2720000000e-04 -2.9519000000e-03 -1.0483000000e-03 -2.2070000000e-03  1.3831000000e-03  4.4371000000e-03 -6.9460000000e-04  1.3025000000e-03 -2.5697000000e-03  2.7000000000e-03 -2.6756000000e-03 -1.9369000000e-03 -1.9958000000e-03
+
+JOB 80
+COORDS  3.7047200000e-01 -6.7756500000e-01 -2.9461210000e+00 -2.1657200000e-01 -5.1984000000e-02 -3.3706900000e+00  8.6591500000e-01 -1.0683380000e+00 -3.6658880000e+00 -3.2079100000e-01  6.2093900000e-01  3.0478830000e+00 -1.7289600000e-01  1.0791100000e+00  2.2205760000e+00 -1.2098030000e+00  8.6740100000e-01  3.3031180000e+00
+ENERGY -1.526541228219e+02
+FORCES -2.4500000000e-04  6.5310000000e-04 -4.8036000000e-03  2.3676000000e-03 -2.4258000000e-03  1.9033000000e-03 -2.0754000000e-03  1.6676000000e-03  2.9043000000e-03 -2.8929000000e-03  2.5910000000e-03 -2.7379000000e-03 -7.2050000000e-04 -1.5509000000e-03  3.6822000000e-03  3.5662000000e-03 -9.3500000000e-04 -9.4820000000e-04
+
+JOB 81
+COORDS -1.9404950000e+00  1.8996690000e+00  1.7234360000e+00 -2.0221710000e+00  2.2104920000e+00  2.6250740000e+00 -2.4687060000e+00  1.1018830000e+00  1.6958330000e+00  2.0380090000e+00 -1.8651950000e+00 -1.7610950000e+00  1.4343740000e+00 -2.3879740000e+00 -1.2333070000e+00  1.4861900000e+00 -1.4700670000e+00 -2.4360780000e+00
+ENERGY -1.526539679072e+02
+FORCES -2.3881000000e-03 -1.8230000000e-03  3.7382000000e-03  2.6800000000e-04 -1.3035000000e-03 -3.7093000000e-03  2.1869000000e-03  3.1412000000e-03 -3.0700000000e-05 -4.7700000000e-03 -1.5280000000e-04 -4.8230000000e-04  2.4372000000e-03  1.9480000000e-03 -2.1605000000e-03  2.2659000000e-03 -1.8099000000e-03  2.6445000000e-03
+
+JOB 82
+COORDS  1.1344070000e+00  2.5833390000e+00  1.6377520000e+00  2.0699860000e+00  2.6637240000e+00  1.8233930000e+00  8.2237100000e-01  3.4865200000e+00  1.5818140000e+00 -1.2039130000e+00 -2.6353410000e+00 -1.6988860000e+00 -5.1221700000e-01 -3.2590190000e+00 -1.4779450000e+00 -1.2880520000e+00 -2.0845960000e+00 -9.2053300000e-01
+ENERGY -1.526544717523e+02
+FORCES  2.5693000000e-03  4.2092000000e-03  4.6220000000e-04 -3.8242000000e-03 -3.9380000000e-04 -7.2980000000e-04  1.2915000000e-03 -3.7077000000e-03  2.7810000000e-04  2.5879000000e-03  4.0600000000e-05  4.2222000000e-03 -2.8037000000e-03  2.3779000000e-03 -9.6780000000e-04  1.7910000000e-04 -2.5262000000e-03 -3.2649000000e-03
+
+JOB 83
+COORDS -1.4027070000e+00 -2.6903780000e+00 -1.4618310000e+00 -1.9067880000e+00 -3.4888510000e+00 -1.3050670000e+00 -1.4601490000e+00 -2.5520300000e+00 -2.4072370000e+00  1.4871510000e+00  2.7199030000e+00  1.5377130000e+00  1.4027720000e+00  2.9971260000e+00  6.2543000000e-01  5.9123800000e-01  2.5262800000e+00  1.8135440000e+00
+ENERGY -1.526541803175e+02
+FORCES -2.1784000000e-03 -2.9013000000e-03 -3.2067000000e-03  2.0160000000e-03  3.3072000000e-03 -6.5640000000e-04  1.9610000000e-04 -4.5620000000e-04  3.8734000000e-03 -4.1041000000e-03 -8.6200000000e-05 -2.7077000000e-03  4.1150000000e-04 -9.1330000000e-04  3.6986000000e-03  3.6590000000e-03  1.0498000000e-03 -1.0012000000e-03
+
+JOB 84
+COORDS -3.2905280000e+00 -8.5351000000e-02 -1.3925250000e+00 -3.1279570000e+00 -1.0257840000e+00 -1.3191170000e+00 -2.6714530000e+00  2.1395600000e-01 -2.0584020000e+00  3.2391320000e+00  1.3993500000e-01  1.4892420000e+00  3.8172660000e+00  4.4912300000e-01  7.9182200000e-01  2.7812700000e+00 -6.0879100000e-01  1.1071370000e+00
+ENERGY -1.526538114827e+02
+FORCES  3.0717000000e-03 -2.5229000000e-03 -2.3695000000e-03 -5.6130000000e-04  3.8322000000e-03 -3.1860000000e-04 -2.4602000000e-03 -1.3030000000e-03  2.7135000000e-03  4.8830000000e-04 -1.7290000000e-03 -4.2869000000e-03 -2.4032000000e-03 -1.2987000000e-03  2.8042000000e-03  1.8648000000e-03  3.0213000000e-03  1.4572000000e-03
+
+JOB 85
+COORDS  2.5321200000e+00 -1.6732380000e+00  1.8338810000e+00  1.6418080000e+00 -1.9547470000e+00  2.0444290000e+00  3.0038270000e+00 -1.7274370000e+00  2.6650170000e+00 -2.4561250000e+00  1.7010420000e+00 -1.8893310000e+00 -3.0210680000e+00  2.0254130000e+00 -2.5906550000e+00 -3.0352780000e+00  1.1736440000e+00 -1.3391820000e+00
+ENERGY -1.526537929479e+02
+FORCES -1.7773000000e-03 -1.2050000000e-03  4.1430000000e-03  3.6286000000e-03  1.0404000000e-03 -7.8060000000e-04 -1.9112000000e-03  1.8760000000e-04 -3.3819000000e-03 -4.5680000000e-03 -8.2810000000e-04 -6.8390000000e-04  2.2871000000e-03 -1.3200000000e-03  2.8852000000e-03  2.3408000000e-03  2.1251000000e-03 -2.1818000000e-03
+
+JOB 86
+COORDS -2.1916120000e+00 -2.7088710000e+00 -1.0200810000e+00 -2.3803000000e+00 -1.9577230000e+00 -1.5825800000e+00 -2.2561980000e+00 -2.3640030000e+00 -1.2950400000e-01  2.2101060000e+00  2.5828320000e+00  9.6840000000e-01  1.6030060000e+00  3.2885020000e+00  7.4548200000e-01  2.7357420000e+00  2.9362260000e+00  1.6860710000e+00
+ENERGY -1.526541001815e+02
+FORCES -6.9550000000e-04  4.5924000000e-03  1.3971000000e-03  5.9720000000e-04 -3.0849000000e-03  2.2333000000e-03  5.2200000000e-05 -1.4770000000e-03 -3.6231000000e-03 -9.3800000000e-05  4.3679000000e-03  2.0214000000e-03  2.3501000000e-03 -2.9636000000e-03  9.0210000000e-04 -2.2102000000e-03 -1.4347000000e-03 -2.9309000000e-03
+
+JOB 87
+COORDS  1.7780910000e+00  3.3210230000e+00 -2.2959860000e+00  2.1747810000e+00  3.0128240000e+00 -3.1107750000e+00  2.0398080000e+00  4.2396670000e+00 -2.2341150000e+00 -1.8265050000e+00 -3.3343350000e+00  2.2835390000e+00 -2.0517400000e+00 -4.1994210000e+00  2.6257780000e+00 -1.3926060000e+00 -2.8929110000e+00  3.0136810000e+00
+ENERGY -1.526539551426e+02
+FORCES  2.6234000000e-03  2.4088000000e-03 -3.1059000000e-03 -1.5821000000e-03  1.3037000000e-03  3.3261000000e-03 -1.0549000000e-03 -3.7361000000e-03 -2.2780000000e-04  9.1180000000e-04 -1.5956000000e-03  4.3387000000e-03  9.0560000000e-04  3.5022000000e-03 -1.4048000000e-03 -1.8037000000e-03 -1.8830000000e-03 -2.9263000000e-03
+
+JOB 88
+COORDS  3.5515300000e+00  2.8684320000e+00 -1.4830750000e+00  3.2006090000e+00  3.5779790000e+00 -9.4490300000e-01  4.4405410000e+00  3.1490480000e+00 -1.7002050000e+00 -3.5943500000e+00 -2.8990200000e+00  1.5254700000e+00 -3.4741600000e+00 -3.8164890000e+00  1.2804430000e+00 -3.5359550000e+00 -2.4201880000e+00  6.9870400000e-01
+ENERGY -1.526541509421e+02
+FORCES  2.2116000000e-03  4.0470000000e-03  1.3695000000e-03  1.4267000000e-03 -2.8896000000e-03 -2.2298000000e-03 -3.6274000000e-03 -1.1477000000e-03  8.6610000000e-04  8.3700000000e-04 -1.7543000000e-03 -4.4137000000e-03 -5.3190000000e-04  3.7123000000e-03  1.0190000000e-03 -3.1610000000e-04 -1.9677000000e-03  3.3890000000e-03
+
+JOB 89
+COORDS -2.6578510000e+00 -6.1189600000e-01 -4.1791080000e+00 -2.1315670000e+00  7.1902000000e-02 -4.5934480000e+00 -3.1059430000e+00 -1.0436810000e+00 -4.9064370000e+00  2.6064390000e+00  5.5773500000e-01  4.2627950000e+00  2.5271540000e+00  1.4465840000e+00  3.9165390000e+00  3.5491760000e+00  3.9439800000e-01  4.2910680000e+00
+ENERGY -1.526539782957e+02
+FORCES  3.1360000000e-04  9.9440000000e-04 -4.6274000000e-03 -2.1399000000e-03 -2.7718000000e-03  1.6847000000e-03  1.8319000000e-03  1.7738000000e-03  2.9582000000e-03  3.4605000000e-03  2.9330000000e-03 -1.3618000000e-03  3.6260000000e-04 -3.6040000000e-03  1.4435000000e-03 -3.8288000000e-03  6.7460000000e-04 -9.7300000000e-05
+
+JOB 0
+COORDS -1.7087100000e-01 -1.1513360000e+00  4.3649000000e-01 -6.8956900000e-01 -9.7101400000e-01  1.2204980000e+00  4.5111600000e-01 -1.8255210000e+00  7.1005700000e-01  9.4126000000e-02  1.2116770000e+00 -4.9832900000e-01  8.9872600000e-01  1.6895220000e+00 -6.9961200000e-01  3.8767900000e-01  3.2515600000e-01 -2.8823300000e-01
+ENERGY -1.526574195364e+02
+FORCES -1.9759000000e-03  1.0410200000e-02  6.3310000000e-04  3.5000000000e-03 -3.1314000000e-03 -3.3365000000e-03 -2.2236000000e-03  5.1321000000e-03 -1.3193000000e-03 -1.2407000000e-03 -1.6224500000e-02  5.3790000000e-03 -1.3406000000e-03 -4.7220000000e-03  1.6866000000e-03  3.2809000000e-03  8.5357000000e-03 -3.0429000000e-03
+
+JOB 1
+COORDS  7.2037000000e-01 -7.1490700000e-01  7.6272900000e-01  1.5916760000e+00 -7.6331800000e-01  3.6939000000e-01  4.2168000000e-01 -1.6236680000e+00  7.9694800000e-01 -8.1107600000e-01  7.9659500000e-01 -7.3749600000e-01 -2.6420100000e-01  4.4042600000e-01 -3.7279000000e-02 -3.0840300000e-01  6.4130100000e-01 -1.5371430000e+00
+ENERGY -1.526569499185e+02
+FORCES -6.5940000000e-03  2.1197000000e-03 -8.2474000000e-03 -5.4691000000e-03  5.8800000000e-05  5.7560000000e-04  3.3481000000e-03  4.1601000000e-03 -4.6110000000e-04  1.3003400000e-02 -1.2358800000e-02  9.9625000000e-03 -3.6824000000e-03  5.9441000000e-03 -3.7794000000e-03 -6.0590000000e-04  7.6200000000e-05  1.9498000000e-03
+
+JOB 2
+COORDS  6.3685500000e-01 -1.1995590000e+00 -1.4802600000e-01  4.4716800000e-01 -1.4343460000e+00 -1.0563900000e+00  4.1380000000e-03 -5.1185000000e-01  5.9237000000e-02 -6.3900100000e-01  1.1279490000e+00  1.6483600000e-01 -2.6517100000e-01  1.1930890000e+00  1.0436080000e+00 -2.0699300000e-01  1.8228570000e+00 -3.3185600000e-01
+ENERGY -1.526575905302e+02
+FORCES -1.0438200000e-02  1.4345600000e-02 -2.2416000000e-03  7.9750000000e-04  1.2158000000e-03  2.1209000000e-03  4.5186000000e-03 -6.5311000000e-03  5.4924000000e-03  9.0752000000e-03 -2.6870000000e-03 -2.3069000000e-03 -1.2812000000e-03 -3.8474000000e-03 -6.2410000000e-03 -2.6720000000e-03 -2.4959000000e-03  3.1762000000e-03
+
+JOB 3
+COORDS  5.7139500000e-01 -5.0197900000e-01  1.0647140000e+00  1.5168800000e+00 -3.6228000000e-01  1.0120410000e+00  3.1829700000e-01 -1.1701500000e-01  1.9037460000e+00 -6.5337200000e-01  4.5283800000e-01 -1.1527650000e+00 -2.2890400000e-01  1.3090510000e+00 -1.0983840000e+00 -2.6797800000e-01 -5.1998000000e-02 -4.3663500000e-01
+ENERGY -1.526592155177e+02
+FORCES -1.7227000000e-03  4.5413000000e-03 -2.2969000000e-03 -5.3869000000e-03  6.2930000000e-04  4.2500000000e-04  2.8774000000e-03 -1.5034000000e-03 -4.1147000000e-03  8.2080000000e-03 -3.6438000000e-03  1.4145300000e-02 -7.4940000000e-04 -1.9150000000e-03 -1.6320000000e-04 -3.2264000000e-03  1.8917000000e-03 -7.9954000000e-03
+
+JOB 4
+COORDS  2.1306800000e-01 -1.1225710000e+00  6.5981400000e-01 -5.6387000000e-01 -1.4833360000e+00  2.3267500000e-01  5.1762500000e-01 -1.8237460000e+00  1.2358610000e+00 -1.7856200000e-01  1.2102020000e+00 -7.2112300000e-01  2.3215500000e-01  3.9929000000e-01 -4.2118300000e-01 -8.0311500000e-01  1.4325400000e+00 -3.0666000000e-02
+ENERGY -1.526589609187e+02
+FORCES -4.6030000000e-04  2.2650000000e-04 -1.0341000000e-03  4.7647000000e-03  2.9347000000e-03  2.1951000000e-03 -3.3853000000e-03  2.5586000000e-03 -2.7257000000e-03  2.7839000000e-03 -7.9163000000e-03  9.9977000000e-03 -4.1102000000e-03  2.4787000000e-03 -5.5875000000e-03  4.0720000000e-04 -2.8220000000e-04 -2.8455000000e-03
+
+JOB 5
+COORDS -1.5174700000e-01  8.7495700000e-01  1.0624620000e+00  6.6693700000e-01  1.3686910000e+00  1.1095410000e+00 -7.8649100000e-01  1.4175830000e+00  1.5303170000e+00  1.4380400000e-01 -9.3826300000e-01 -1.1507710000e+00 -3.7856700000e-01 -2.4185400000e-01 -7.5280700000e-01  6.3209300000e-01 -1.3189980000e+00 -4.2080800000e-01
+ENERGY -1.526596751809e+02
+FORCES  2.1692000000e-03  3.1981000000e-03  1.2319000000e-03 -4.2201000000e-03 -2.3997000000e-03  5.6210000000e-04  3.2385000000e-03 -2.2846000000e-03 -2.7389000000e-03 -1.3750000000e-03  5.2405000000e-03  1.0791100000e-02 -2.0740000000e-04 -3.4051000000e-03 -6.4121000000e-03  3.9480000000e-04 -3.4910000000e-04 -3.4342000000e-03
+
+JOB 6
+COORDS  2.1065500000e-01  1.4007290000e+00  5.3336500000e-01  9.2823000000e-02  6.5516300000e-01 -5.5259000000e-02 -3.2980100000e-01  1.1925690000e+00  1.2954740000e+00 -1.8109800000e-01 -1.2700850000e+00 -5.1874300000e-01 -1.1961600000e-01 -2.0674690000e+00  7.2140000000e-03 -6.3688000000e-02 -1.5679520000e+00 -1.4208090000e+00
+ENERGY -1.526602695980e+02
+FORCES -3.4814000000e-03 -1.0689200000e-02 -1.6093000000e-03  1.1963000000e-03  8.4856000000e-03  6.5720000000e-04  1.8425000000e-03  1.1777000000e-03 -1.2865000000e-03  1.5612000000e-03 -3.0404000000e-03  1.0316000000e-03 -8.1930000000e-04  2.7878000000e-03 -3.3981000000e-03 -2.9940000000e-04  1.2785000000e-03  4.6051000000e-03
+
+JOB 7
+COORDS  3.1743500000e-01  1.2674380000e+00  7.0864500000e-01  1.5258400000e-01  8.6574200000e-01  1.5616960000e+00 -4.1180400000e-01  9.7617600000e-01  1.6127900000e-01 -2.9093000000e-01 -1.2570520000e+00 -7.8145500000e-01  5.8329100000e-01 -1.2931310000e+00 -3.9329400000e-01 -8.1762500000e-01 -7.7700200000e-01 -1.4241200000e-01
+ENERGY -1.526502514515e+02
+FORCES -3.6080000000e-03 -2.4104000000e-03 -1.1809000000e-03  6.2140000000e-04 -1.7470000000e-04 -5.3735000000e-03  7.0650000000e-04 -4.1580000000e-03  4.3760000000e-03  5.5851000000e-03  3.7730000000e-03  6.0821000000e-03 -4.2771000000e-03 -2.1333000000e-03 -1.9409000000e-03  9.7210000000e-04  5.1034000000e-03 -1.9629000000e-03
+
+JOB 8
+COORDS -5.8620400000e-01  4.3895000000e-02 -1.4039150000e+00 -6.0640100000e-01  5.4792000000e-02 -4.4699000000e-01  2.9019200000e-01  3.5612200000e-01 -1.6290290000e+00  5.7582900000e-01 -4.7301000000e-02  1.3224030000e+00  1.3537000000e-01  4.8513600000e-01  1.9847760000e+00  2.0448000000e-01 -9.2266000000e-01  1.4323010000e+00
+ENERGY -1.526589398781e+02
+FORCES  7.8289000000e-03  2.3860000000e-03  8.5170000000e-03 -5.8709000000e-03 -2.4087000000e-03 -4.7624000000e-03 -3.1212000000e-03 -9.2450000000e-04 -1.5780000000e-03 -1.2920000000e-04 -2.1697000000e-03  4.6861000000e-03  1.1784000000e-03 -2.8997000000e-03 -4.5710000000e-03  1.1400000000e-04  6.0166000000e-03 -2.2918000000e-03
+
+JOB 9
+COORDS -1.1010320000e+00  5.5834600000e-01  6.9273800000e-01 -1.8464430000e+00  7.8606300000e-01  1.2483810000e+00 -1.1145870000e+00  1.2117320000e+00 -6.6440000000e-03  1.1460370000e+00 -6.0269800000e-01 -7.4761400000e-01  4.0245400000e-01 -4.8440300000e-01 -1.5658000000e-01  1.8646800000e+00 -8.7600500000e-01 -1.7745000000e-01
+ENERGY -1.526610975188e+02
+FORCES -2.7382000000e-03  2.8941000000e-03 -2.3870000000e-04  3.0173000000e-03  6.3790000000e-04 -3.0114000000e-03 -4.3490000000e-04 -3.9692000000e-03  3.9828000000e-03 -3.6920000000e-03  4.6070000000e-04  7.3280000000e-03  6.2164000000e-03 -7.2560000000e-04 -6.3798000000e-03 -2.3686000000e-03  7.0210000000e-04 -1.6809000000e-03
+
+JOB 10
+COORDS  8.0761400000e-01  1.6845900000e-01 -1.2410430000e+00  4.6541800000e-01  7.0880400000e-01 -5.2889000000e-01  7.7326400000e-01  7.3622700000e-01 -2.0109070000e+00 -7.9676000000e-01 -1.8585400000e-01  1.2021120000e+00 -1.3967470000e+00 -5.5794100000e-01  1.8484860000e+00  1.8818000000e-02 -6.7186800000e-01  1.3239940000e+00
+ENERGY -1.526575925251e+02
+FORCES -4.7942000000e-03  4.0274000000e-03  1.3015000000e-03  5.8436000000e-03 -2.0536000000e-03 -3.5908000000e-03 -3.2220000000e-04 -1.8989000000e-03  2.9138000000e-03  1.9050000000e-04 -5.0822000000e-03  1.7579000000e-03  2.7204000000e-03  6.9590000000e-04 -2.6563000000e-03 -3.6380000000e-03  4.3114000000e-03  2.7380000000e-04
+
+JOB 11
+COORDS  7.4066100000e-01 -1.3080140000e+00  1.7146000000e-02  9.0972400000e-01 -3.9115700000e-01 -1.9970000000e-01  1.5331280000e+00 -1.5977990000e+00  4.6908900000e-01 -8.0962500000e-01  1.2539450000e+00 -9.2047000000e-02 -7.9479700000e-01  2.1595330000e+00  2.1766500000e-01 -5.5615600000e-01  7.3505600000e-01  6.7132700000e-01
+ENERGY -1.526572991411e+02
+FORCES  3.7737000000e-03  2.3586000000e-03 -2.8892000000e-03 -6.5710000000e-04 -5.2421000000e-03  5.8460000000e-03 -3.6074000000e-03  2.1484000000e-03 -1.5899000000e-03 -2.4134000000e-03  5.2520000000e-04  4.9159000000e-03  4.1810000000e-04 -4.4426000000e-03 -9.6500000000e-04  2.4860000000e-03  4.6525000000e-03 -5.3178000000e-03
+
+JOB 12
+COORDS  3.7805800000e-01 -9.0875500000e-01  1.1196910000e+00  4.9157000000e-01 -1.7937890000e+00  7.7319000000e-01 -3.3448400000e-01 -9.8885100000e-01  1.7538050000e+00 -3.6486000000e-01  1.0279360000e+00 -1.1371380000e+00 -1.0898000000e-02  5.4280200000e-01 -1.8825150000e+00 -3.2183900000e-01  4.1070500000e-01 -4.0679100000e-01
+ENERGY -1.526600630161e+02
+FORCES -3.8920000000e-04 -5.4217000000e-03  3.6871000000e-03 -1.0970000000e-03  4.7742000000e-03  1.0791000000e-03  3.2016000000e-03  6.1690000000e-04 -4.2854000000e-03  4.0366000000e-03 -6.8250000000e-03  4.4628000000e-03 -1.2934000000e-03  1.2757000000e-03  2.1514000000e-03 -4.4587000000e-03  5.5799000000e-03 -7.0950000000e-03
+
+JOB 13
+COORDS  4.5425800000e-01  1.0260970000e+00  1.1188570000e+00 -1.9623400000e-01  1.0639120000e+00  4.1767100000e-01  1.2912970000e+00  9.2934000000e-01  6.6472700000e-01 -4.1532900000e-01 -1.0750540000e+00 -1.0393560000e+00 -1.1812380000e+00 -8.0111700000e-01 -5.3480300000e-01 -4.0277200000e-01 -4.8725500000e-01 -1.7947140000e+00
+ENERGY -1.526527877529e+02
+FORCES  2.0897000000e-03 -4.6644000000e-03 -7.5226000000e-03 -8.8910000000e-04  8.6300000000e-04  2.4598000000e-03 -2.4048000000e-03  2.4135000000e-03  2.5689000000e-03 -3.6087000000e-03  1.1807000000e-03  2.2300000000e-04  4.0316000000e-03  1.3145000000e-03 -2.7629000000e-03  7.8120000000e-04 -1.1072000000e-03  5.0339000000e-03
+
+JOB 14
+COORDS -7.9535000000e-01  1.2540290000e+00 -5.4857500000e-01 -4.3371000000e-02  1.6469870000e+00 -1.0546800000e-01 -1.2088690000e+00  7.0737300000e-01  1.1955700000e-01  8.2024200000e-01 -1.2744210000e+00  4.3941700000e-01  3.6494900000e-01 -1.7190420000e+00  1.1544360000e+00  5.9866800000e-01 -3.5003400000e-01  5.5186900000e-01
+ENERGY -1.526508416875e+02
+FORCES -2.7130000000e-04 -2.9210000000e-04  2.6187000000e-03 -2.7356000000e-03 -5.4448000000e-03 -9.6340000000e-04  4.7344000000e-03  1.9294000000e-03 -1.6551000000e-03 -2.8502000000e-03  2.6109000000e-03  9.3130000000e-04  1.0291000000e-03  2.8394000000e-03 -3.5208000000e-03  9.3600000000e-05 -1.6428000000e-03  2.5893000000e-03
+
+JOB 15
+COORDS  7.4054300000e-01 -1.0042980000e+00 -8.7766900000e-01  6.8724900000e-01 -1.5540260000e+00 -9.5882000000e-02  4.1330400000e-01 -1.5603050000e+00 -1.5847770000e+00 -7.5511000000e-01  1.0320310000e+00  8.9161100000e-01 -7.0819900000e-01  1.9586410000e+00  1.1270330000e+00 -7.3857000000e-02  9.1799200000e-01  2.2894900000e-01
+ENERGY -1.526598596468e+02
+FORCES -2.7692000000e-03 -5.9007000000e-03  3.7300000000e-05  9.1920000000e-04  2.3830000000e-03 -4.1681000000e-03  1.7982000000e-03  1.5679000000e-03  3.1167000000e-03  3.5178000000e-03  1.1185000000e-03 -3.9959000000e-03  2.3440000000e-04 -3.5150000000e-03 -1.4944000000e-03 -3.7003000000e-03  4.3463000000e-03  6.5043000000e-03
+
+JOB 16
+COORDS  2.5079400000e-01  7.0455900000e-01 -1.3130170000e+00  6.1500000000e-02  8.5821500000e-01 -2.2386460000e+00  1.0969310000e+00  2.5702900000e-01 -1.3121730000e+00 -2.5146800000e-01 -7.1783000000e-01  1.4057170000e+00 -1.2083550000e+00 -7.3955400000e-01  1.3943850000e+00 -1.8118000000e-02 -7.3429000000e-02  7.3749000000e-01
+ENERGY -1.526591700140e+02
+FORCES  1.5160000000e-03 -1.1483000000e-03 -5.6792000000e-03  1.7303000000e-03 -8.9850000000e-04  3.5048000000e-03 -4.7280000000e-03  2.4340000000e-03  1.4706000000e-03 -4.0310000000e-03  4.3814000000e-03 -6.1725000000e-03  2.9013000000e-03 -4.8970000000e-04  9.9740000000e-04  2.6114000000e-03 -4.2789000000e-03  5.8789000000e-03
+
+JOB 17
+COORDS -6.9993000000e-02  1.2981200000e+00 -8.0316700000e-01 -5.6264500000e-01  1.9663660000e+00 -1.2795840000e+00  6.9030400000e-01  1.1201690000e+00 -1.3568030000e+00  2.3646000000e-02 -1.3397530000e+00  8.1110900000e-01  6.1549200000e-01 -1.9015150000e+00  1.3114820000e+00  3.4404000000e-02 -5.0398800000e-01  1.2775990000e+00
+ENERGY -1.526555951199e+02
+FORCES  1.2390000000e-03  6.7000000000e-05 -5.3476000000e-03  2.0602000000e-03 -2.9714000000e-03  1.9724000000e-03 -2.8490000000e-03  2.2791000000e-03  2.1170000000e-03  8.5960000000e-04  3.8690000000e-03  3.1641000000e-03 -1.9739000000e-03  2.6060000000e-03 -2.6550000000e-03  6.6410000000e-04 -5.8498000000e-03  7.4910000000e-04
+
+JOB 18
+COORDS -1.5809330000e+00  5.1805700000e-01 -1.5427500000e-01 -1.3800660000e+00 -1.4622100000e-01  5.0498200000e-01 -8.9822500000e-01  4.1271300000e-01 -8.1688000000e-01  1.4797070000e+00 -4.8451000000e-01  1.9558600000e-01  1.5556910000e+00 -7.1281600000e-01 -7.3087700000e-01  2.2558240000e+00  4.5711000000e-02  3.7652800000e-01
+ENERGY -1.526562036487e+02
+FORCES  7.7519000000e-03 -3.6976000000e-03  2.1044000000e-03 -3.8778000000e-03  2.1474000000e-03 -2.3073000000e-03 -3.6410000000e-03  4.9810000000e-04 -7.6610000000e-04  5.2573000000e-03  1.7865000000e-03 -1.6818000000e-03 -2.3202000000e-03  1.9741000000e-03  3.8384000000e-03 -3.1702000000e-03 -2.7084000000e-03 -1.1876000000e-03
+
+JOB 19
+COORDS -5.0319500000e-01 -8.3018300000e-01  1.2964180000e+00 -7.1679900000e-01 -4.1095200000e-01  4.6284100000e-01 -1.0670990000e+00 -1.6030080000e+00  1.3278200000e+00  4.9710800000e-01  8.4609700000e-01 -1.2991800000e+00  6.4152300000e-01  1.4860190000e+00 -6.0213300000e-01  1.1997180000e+00  2.0587400000e-01 -1.1865480000e+00
+ENERGY -1.526595110122e+02
+FORCES -3.4789000000e-03 -4.5580000000e-04 -4.5987000000e-03  3.4290000000e-04 -3.2022000000e-03  7.2015000000e-03  2.2422000000e-03  2.9337000000e-03 -6.1020000000e-04  6.7688000000e-03  1.4120000000e-03  2.1000000000e-03 -1.8902000000e-03 -3.5477000000e-03 -3.1550000000e-03 -3.9848000000e-03  2.8600000000e-03 -9.3750000000e-04
+
+JOB 20
+COORDS -1.9284300000e-01 -1.5482540000e+00 -5.7075900000e-01 -9.5160000000e-03 -7.8309600000e-01 -2.5638000000e-02 -8.1366700000e-01 -1.2320950000e+00 -1.2271520000e+00  1.6216400000e-01  1.4459790000e+00  5.6827300000e-01  2.7642700000e-01  2.3963270000e+00  5.7223900000e-01  1.0301040000e+00  1.0990460000e+00  7.7454900000e-01
+ENERGY -1.526576387706e+02
+FORCES -3.4585000000e-03  7.5419000000e-03 -2.5950000000e-04  3.3071000000e-03 -5.6509000000e-03 -6.6320000000e-04  1.9891000000e-03 -2.5463000000e-03  1.4875000000e-03  3.7252000000e-03  5.4064000000e-03  9.2340000000e-04  8.5600000000e-05 -4.0392000000e-03  2.9690000000e-04 -5.6486000000e-03 -7.1190000000e-04 -1.7851000000e-03
+
+JOB 21
+COORDS  3.6414500000e-01 -1.5864090000e+00  3.6781300000e-01  1.0121710000e+00 -1.4398380000e+00  1.0568790000e+00 -1.3346100000e-01 -7.6965400000e-01  3.2867800000e-01 -3.1457300000e-01  1.5144340000e+00 -4.1754000000e-01 -1.0377960000e+00  1.5185920000e+00 -1.0445670000e+00 -7.1094400000e-01  1.7934560000e+00  4.0785000000e-01
+ENERGY -1.526576767774e+02
+FORCES  1.3593000000e-03  7.4472000000e-03  3.4820000000e-04 -2.5310000000e-03 -8.7120000000e-04 -1.9079000000e-03 -2.0720000000e-04 -7.4485000000e-03  3.2274000000e-03 -4.1490000000e-03  5.0829000000e-03 -1.9221000000e-03  3.2903000000e-03 -4.7890000000e-04  3.7415000000e-03  2.2376000000e-03 -3.7315000000e-03 -3.4871000000e-03
+
+JOB 22
+COORDS -1.8374000000e-01 -1.4645360000e+00 -6.0202000000e-01 -8.7629300000e-01 -2.1061520000e+00 -4.4412500000e-01  5.7009800000e-01 -1.8009530000e+00 -1.1747500000e-01  1.6514700000e-01  1.5699900000e+00  5.2734400000e-01 -2.8538400000e-01  7.2663800000e-01  5.7218800000e-01  8.6906400000e-01  1.5006240000e+00  1.1722630000e+00
+ENERGY -1.526569293878e+02
+FORCES  1.3896000000e-03 -6.3836000000e-03 -3.1720000000e-04  3.2522000000e-03  3.5885000000e-03 -1.7340000000e-04 -4.0750000000e-03  2.3694000000e-03 -1.1002000000e-03  7.2000000000e-06 -6.0722000000e-03  2.8330000000e-04  1.7703000000e-03  6.7485000000e-03  3.7241000000e-03 -2.3444000000e-03 -2.5060000000e-04 -2.4166000000e-03
+
+JOB 23
+COORDS -1.5491210000e+00  2.0039000000e-01  5.8506400000e-01 -7.3165400000e-01  5.1263100000e-01  1.9714200000e-01 -2.1973090000e+00  2.9448000000e-01 -1.1295600000e-01  1.4822290000e+00 -2.2196300000e-01 -5.5231000000e-01  1.9412620000e+00  5.2382400000e-01 -1.6588700000e-01  2.0842060000e+00 -9.5788900000e-01 -4.4154500000e-01
+ENERGY -1.526575538408e+02
+FORCES  3.5792000000e-03 -2.4950000000e-04 -5.6642000000e-03 -6.0951000000e-03  2.8393000000e-03  3.3856000000e-03  2.1424000000e-03 -2.7890000000e-04  2.6154000000e-03  5.6502000000e-03 -3.1798000000e-03  2.0606000000e-03 -3.7732000000e-03 -2.8999000000e-03 -1.4778000000e-03 -1.5035000000e-03  3.7688000000e-03 -9.1960000000e-04
+
+JOB 24
+COORDS  1.5097480000e+00 -5.7349200000e-01  2.9078000000e-02  2.2601230000e+00 -1.0913360000e+00 -2.6248100000e-01  1.3433440000e+00  3.4535000000e-02 -6.9123100000e-01 -1.5369590000e+00  6.2921800000e-01  1.4480000000e-02 -2.2829760000e+00  5.0814000000e-02 -1.4406900000e-01 -8.9637900000e-01  7.7213000000e-02  4.6301000000e-01
+ENERGY -1.526592594769e+02
+FORCES  3.9558000000e-03  2.8850000000e-04 -4.6147000000e-03 -2.9246000000e-03  2.5100000000e-03  5.7340000000e-04  1.2068000000e-03 -3.7048000000e-03  3.9832000000e-03  1.9370000000e-04 -5.5778000000e-03  2.4319000000e-03  2.7086000000e-03  2.2105000000e-03  5.6880000000e-04 -5.1403000000e-03  4.2736000000e-03 -2.9427000000e-03
+
+JOB 25
+COORDS  4.1096700000e-01  1.5340260000e+00 -1.2364600000e-01  6.3414500000e-01  2.3113750000e+00  3.8836200000e-01  4.6492900000e-01  1.8230190000e+00 -1.0345820000e+00 -4.8095000000e-01 -1.5786150000e+00  1.6829900000e-01  1.0446200000e-01 -1.0017420000e+00 -3.2235600000e-01 -1.6194000000e-02 -2.4144590000e+00  2.0827400000e-01
+ENERGY -1.526563453309e+02
+FORCES  3.4010000000e-04  6.2886000000e-03  6.1780000000e-04 -8.6540000000e-04 -2.7352000000e-03 -2.8509000000e-03  1.2450000000e-04 -2.5798000000e-03  3.9044000000e-03  4.6681000000e-03  2.0211000000e-03 -1.1837000000e-03 -2.6401000000e-03 -6.4211000000e-03 -4.0350000000e-04 -1.6273000000e-03  3.4263000000e-03 -8.4200000000e-05
+
+JOB 26
+COORDS  1.3943510000e+00  4.6790000000e-03  1.0295320000e+00  8.7328400000e-01 -7.3306100000e-01  1.3464880000e+00  1.4311550000e+00 -1.1751000000e-01  8.0876000000e-02 -1.3939930000e+00 -6.5660000000e-03 -1.0253110000e+00 -9.3777000000e-01 -2.3300000000e-02 -1.8399500000e-01 -1.4100870000e+00  9.1836500000e-01 -1.2712300000e+00
+ENERGY -1.526563007796e+02
+FORCES  1.8801000000e-03 -5.0937000000e-03 -2.2772000000e-03  3.6220000000e-04  4.8838000000e-03 -2.3316000000e-03 -1.7477000000e-03  1.5616000000e-03  5.3851000000e-03  8.9060000000e-04  5.5038000000e-03  3.3756000000e-03 -1.5130000000e-03 -2.7522000000e-03 -4.5740000000e-03  1.2790000000e-04 -4.1032000000e-03  4.2210000000e-04
+
+JOB 27
+COORDS -6.2343000000e-01 -1.4483870000e+00  4.8482800000e-01 -7.4742800000e-01 -1.1249950000e+00  1.3771690000e+00 -1.3064090000e+00 -2.1094930000e+00  3.7208200000e-01  6.4586100000e-01  1.4998650000e+00 -4.7635100000e-01  5.5268500000e-01  5.6251300000e-01 -6.4641600000e-01  1.1233850000e+00  1.8351380000e+00 -1.2351620000e+00
+ENERGY -1.526588859243e+02
+FORCES -4.4565000000e-03 -1.8729000000e-03  4.1323000000e-03  3.1060000000e-04 -2.2965000000e-03 -3.9227000000e-03  2.7704000000e-03  2.5901000000e-03  9.9000000000e-04  5.2370000000e-04 -4.2362000000e-03 -3.1926000000e-03  2.7321000000e-03  7.2966000000e-03 -6.4040000000e-04 -1.8803000000e-03 -1.4812000000e-03  2.6335000000e-03
+
+JOB 28
+COORDS  1.1274380000e+00 -1.1319040000e+00  6.4577500000e-01  9.3047600000e-01 -5.4552800000e-01 -8.4705000000e-02  2.0439040000e+00 -1.3762970000e+00  5.1695600000e-01 -1.1523820000e+00  1.0757150000e+00 -5.3959300000e-01 -2.0406320000e+00  1.1573540000e+00 -8.8683700000e-01 -6.1316000000e-01  1.5962540000e+00 -1.1350010000e+00
+ENERGY -1.526552801253e+02
+FORCES  5.6660000000e-04  2.3200000000e-03 -3.5269000000e-03  4.6967000000e-03 -3.3218000000e-03  2.3513000000e-03 -3.7715000000e-03  1.2962000000e-03  3.0000000000e-04 -4.3856000000e-03  3.2280000000e-03 -3.2556000000e-03  3.9381000000e-03  3.1810000000e-04  1.3769000000e-03 -1.0443000000e-03 -3.8405000000e-03  2.7543000000e-03
+
+JOB 29
+COORDS -1.2345500000e+00  5.6189000000e-02  1.2512480000e+00 -1.2099760000e+00  9.1886200000e-01  1.6652810000e+00 -3.1644900000e-01 -2.0821600000e-01  1.1928400000e+00  1.1340420000e+00 -6.3493000000e-02 -1.2524880000e+00  1.1901970000e+00 -9.5787900000e-01 -1.5888670000e+00  2.0317050000e+00  2.6599200000e-01 -1.2957810000e+00
+ENERGY -1.526557695801e+02
+FORCES  5.4443000000e-03  2.9543000000e-03 -1.3668000000e-03 -2.9430000000e-04 -3.1878000000e-03 -1.0513000000e-03 -4.7444000000e-03 -4.6500000000e-05  3.6246000000e-03  3.5854000000e-03 -2.3145000000e-03 -4.0885000000e-03  1.5600000000e-04  3.9558000000e-03  2.0579000000e-03 -4.1470000000e-03 -1.3612000000e-03  8.2410000000e-04
+
+JOB 30
+COORDS  1.4962580000e+00 -1.0413690000e+00 -2.3847900000e-01  9.1889100000e-01 -3.0232800000e-01 -4.6912000000e-02  9.0250900000e-01 -1.7764550000e+00 -3.9126400000e-01 -1.3781670000e+00  1.0528370000e+00  2.2190200000e-01 -2.1493300000e+00  9.8329500000e-01 -3.4086200000e-01 -1.7096740000e+00  8.8841400000e-01  1.1046810000e+00
+ENERGY -1.526584955078e+02
+FORCES -6.3662000000e-03  1.8025000000e-03 -8.4100000000e-05  5.6546000000e-03 -4.9173000000e-03 -2.4480000000e-04  2.4895000000e-03  1.9350000000e-03  5.4850000000e-04 -6.6313000000e-03  8.2260000000e-04  1.0960000000e-03  3.1529000000e-03  1.2070000000e-04  2.8942000000e-03  1.7004000000e-03  2.3660000000e-04 -4.2098000000e-03
+
+JOB 31
+COORDS  1.1301450000e+00 -1.3295080000e+00  3.4660200000e-01  1.7704520000e+00 -1.7518500000e+00  9.1919700000e-01  3.1626900000e-01 -1.3365080000e+00  8.5037500000e-01 -1.0959630000e+00  1.3047730000e+00 -3.6557700000e-01 -1.7719460000e+00  1.9594840000e+00 -1.9055600000e-01 -8.1960300000e-01  1.4797260000e+00 -1.2651590000e+00
+ENERGY -1.526551899087e+02
+FORCES -2.0717000000e-03 -3.6700000000e-04  4.4839000000e-03 -2.5078000000e-03  1.7731000000e-03 -2.2749000000e-03  4.3220000000e-03 -2.1283000000e-03 -1.2996000000e-03 -5.0290000000e-04  3.5637000000e-03 -4.0536000000e-03  2.8582000000e-03 -2.8739000000e-03 -4.7380000000e-04 -2.0979000000e-03  3.2400000000e-05  3.6181000000e-03
+
+JOB 32
+COORDS  9.9633200000e-01 -8.0437700000e-01  1.3332430000e+00  1.6113050000e+00 -4.8148200000e-01  1.9918630000e+00  1.1166360000e+00 -2.1929600000e-01  5.8528600000e-01 -9.7796700000e-01  7.2207100000e-01 -1.3283650000e+00 -1.1969650000e+00  1.5712840000e+00 -9.4481700000e-01 -1.7908620000e+00  4.2738100000e-01 -1.7389630000e+00
+ENERGY -1.526559770051e+02
+FORCES  2.0804000000e-03  3.5846000000e-03 -2.1328000000e-03 -2.6396000000e-03 -9.9860000000e-04 -2.5765000000e-03  1.7129000000e-03 -2.3544000000e-03  5.2415000000e-03 -5.8676000000e-03  1.2840000000e-03 -2.6720000000e-04  1.5541000000e-03 -3.3929000000e-03 -1.6203000000e-03  3.1599000000e-03  1.8773000000e-03  1.3552000000e-03
+
+JOB 33
+COORDS -5.0035900000e-01  4.9297600000e-01  1.6629680000e+00 -1.0573990000e+00 -2.8222300000e-01  1.5922120000e+00 -9.5444200000e-01  1.0585900000e+00  2.2875660000e+00  5.7487300000e-01 -4.2014400000e-01 -1.6926650000e+00  6.9344700000e-01 -1.0528700000e+00 -2.4010640000e+00  1.0554100000e-01 -9.0506100000e-01 -1.0138320000e+00
+ENERGY -1.526530247069e+02
+FORCES -4.4225000000e-03  7.0900000000e-04  3.0825000000e-03  3.0807000000e-03  2.5211000000e-03 -1.1659000000e-03  1.9842000000e-03 -2.5500000000e-03 -2.4242000000e-03 -1.2158000000e-03 -3.9484000000e-03  1.0269000000e-03 -5.3400000000e-04  2.7779000000e-03  3.0063000000e-03  1.1073000000e-03  4.9030000000e-04 -3.5257000000e-03
+
+JOB 34
+COORDS -2.3366100000e-01 -1.8327920000e+00  1.0614400000e-01 -1.7862600000e-01 -1.3209520000e+00 -7.0084000000e-01 -7.7763900000e-01 -2.5860100000e+00 -1.2403300000e-01  2.2743000000e-01  1.7874890000e+00 -6.6312000000e-02 -6.6033000000e-02  2.4067610000e+00  6.0197900000e-01  1.0101840000e+00  2.1915920000e+00 -4.4078300000e-01
+ENERGY -1.526549654894e+02
+FORCES -1.8502000000e-03  9.6710000000e-04 -4.3742000000e-03 -1.0760000000e-04 -4.5498000000e-03  2.3895000000e-03  2.0923000000e-03  3.0648000000e-03  1.0651000000e-03  1.8533000000e-03  4.3997000000e-03  2.8502000000e-03  1.3760000000e-03 -1.9448000000e-03 -3.1063000000e-03 -3.3638000000e-03 -1.9370000000e-03  1.1758000000e-03
+
+JOB 35
+COORDS -1.1418490000e+00  5.0855300000e-01  1.3774780000e+00 -3.9493100000e-01  3.2934300000e-01  1.9486430000e+00 -1.3323030000e+00  1.4364080000e+00  1.5154740000e+00  1.1662940000e+00 -5.8402000000e-01 -1.4326470000e+00  9.0790300000e-01  3.1386000000e-01 -1.6406820000e+00  4.4548300000e-01 -9.2454000000e-01 -9.0282800000e-01
+ENERGY -1.526569418847e+02
+FORCES  1.6600000000e-03  3.7751000000e-03  4.4103000000e-03 -3.3803000000e-03  5.9970000000e-04 -2.9174000000e-03  9.6760000000e-04 -3.8937000000e-03 -6.7190000000e-04 -5.6853000000e-03  2.6865000000e-03  1.9231000000e-03  1.9593000000e-03 -3.1292000000e-03  4.5800000000e-05  4.4787000000e-03 -3.8400000000e-05 -2.7899000000e-03
+
+JOB 36
+COORDS  6.8754900000e-01  6.7509700000e-01 -1.6296490000e+00  1.1780400000e+00  1.4548000000e+00 -1.8898690000e+00  2.7117300000e-01  9.1836500000e-01 -8.0279700000e-01 -6.9100600000e-01 -6.9086400000e-01  1.6349410000e+00 -6.0552000000e-01 -6.2402800000e-01  6.8391100000e-01 -7.6627900000e-01 -1.6300560000e+00  1.8037150000e+00
+ENERGY -1.526546072280e+02
+FORCES  1.6605000000e-03  6.0918000000e-03  1.8261000000e-03 -2.0871000000e-03 -3.3074000000e-03  7.3900000000e-04  3.5320000000e-04 -4.0323000000e-03 -3.1887000000e-03  1.2190000000e-04 -5.6709000000e-03 -3.1271000000e-03 -1.0950000000e-04  2.9711000000e-03  3.9907000000e-03  6.1200000000e-05  3.9477000000e-03 -2.3990000000e-04
+
+JOB 37
+COORDS -3.9466400000e-01  1.8534090000e+00 -3.2194000000e-01  5.7125000000e-02  2.0867470000e+00 -1.1329090000e+00  3.0622100000e-01  1.6012420000e+00  2.7922800000e-01  3.7540900000e-01 -1.8423970000e+00  2.8174100000e-01  6.3015000000e-01 -2.3576590000e+00  1.0471450000e+00 -5.0667300000e-01 -1.5310510000e+00  4.8478600000e-01
+ENERGY -1.526561099044e+02
+FORCES  5.6990000000e-03 -6.7260000000e-04 -1.5246000000e-03 -1.9488000000e-03 -3.1400000000e-04  3.2589000000e-03 -3.5579000000e-03  1.9863000000e-03 -1.8590000000e-03 -3.6834000000e-03 -1.3736000000e-03  3.2103000000e-03 -9.0940000000e-04  2.5001000000e-03 -3.0474000000e-03  4.4004000000e-03 -2.1262000000e-03 -3.8200000000e-05
+
+JOB 38
+COORDS  1.0446270000e+00 -1.5390800000e+00  7.2392000000e-02  8.8607300000e-01 -2.4638530000e+00 -1.1704800000e-01  1.9714450000e+00 -1.4978600000e+00  3.0806200000e-01 -1.0568960000e+00  1.5794740000e+00 -2.1332000000e-02 -1.8761540000e+00  1.1633710000e+00 -2.8948600000e-01 -7.7007500000e-01  2.0651890000e+00 -7.9466700000e-01
+ENERGY -1.526527260885e+02
+FORCES  3.4333000000e-03 -3.0341000000e-03  8.3420000000e-04  2.4410000000e-04  4.0284000000e-03  6.2090000000e-04 -3.7566000000e-03 -3.4810000000e-04 -1.2109000000e-03 -1.3528000000e-03 -1.4929000000e-03 -4.5138000000e-03  2.6630000000e-03  2.2417000000e-03  1.1022000000e-03 -1.2310000000e-03 -1.3950000000e-03  3.1675000000e-03
+
+JOB 39
+COORDS -7.9258000000e-02  1.8071180000e+00  6.7321300000e-01  2.2296600000e-01  2.1406750000e+00  1.5179800000e+00 -2.0969900000e-01  8.6996400000e-01  8.1798800000e-01  6.0537000000e-02 -1.7942090000e+00 -6.5175100000e-01  5.9005500000e-01 -1.0893620000e+00 -1.0246220000e+00 -3.2976200000e-01 -2.2282290000e+00 -1.4103850000e+00
+ENERGY -1.526569721078e+02
+FORCES -2.0470000000e-04 -2.7267000000e-03  4.7533000000e-03 -1.2056000000e-03 -1.2704000000e-03 -3.3737000000e-03  1.7668000000e-03  5.5553000000e-03 -1.0039000000e-03  5.5570000000e-04 -1.6400000000e-05 -6.0942000000e-03 -2.8463000000e-03 -3.1464000000e-03  2.6920000000e-03  1.9341000000e-03  1.6045000000e-03  3.0266000000e-03
+
+JOB 40
+COORDS -1.0689520000e+00 -7.6914800000e-01  1.4609060000e+00 -3.0932600000e-01 -8.8103400000e-01  2.0324670000e+00 -7.5306700000e-01 -1.0142170000e+00  5.9120000000e-01  9.9986800000e-01  8.4319900000e-01 -1.4113500000e+00  1.7970310000e+00  3.1375300000e-01 -1.3901520000e+00  4.1723100000e-01  3.7586100000e-01 -2.0099820000e+00
+ENERGY -1.526539496565e+02
+FORCES  5.4128000000e-03  3.3380000000e-04 -1.8503000000e-03 -3.1729000000e-03 -1.8060000000e-04 -1.8852000000e-03 -2.1311000000e-03 -7.9450000000e-04  3.3552000000e-03  1.4108000000e-03 -2.3305000000e-03 -3.6900000000e-03 -3.9249000000e-03  1.7736000000e-03  5.6960000000e-04  2.4053000000e-03  1.1982000000e-03  3.5007000000e-03
+
+JOB 41
+COORDS -2.4726000000e-02  3.4099800000e-01  1.8774240000e+00  9.1935700000e-01  1.8680600000e-01  1.9115380000e+00 -4.0434000000e-01 -3.8347900000e-01  2.3746740000e+00 -2.0764000000e-02 -3.1011600000e-01 -1.9661060000e+00 -6.1379800000e-01 -2.2468400000e-01 -1.2196180000e+00  8.2046200000e-01  1.2047000000e-02 -1.6424070000e+00
+ENERGY -1.526564659327e+02
+FORCES  2.5033000000e-03 -3.4158000000e-03  4.4424000000e-03 -4.1092000000e-03  6.5920000000e-04 -9.7080000000e-04  1.6285000000e-03  3.1586000000e-03 -2.4786000000e-03  4.8430000000e-04  2.6159000000e-03  5.7634000000e-03  1.8417000000e-03 -1.3847000000e-03 -4.9044000000e-03 -2.3486000000e-03 -1.6332000000e-03 -1.8520000000e-03
+
+JOB 42
+COORDS -1.6519380000e+00 -1.1194600000e+00 -3.7203500000e-01 -1.6651910000e+00 -3.1913800000e-01  1.5288500000e-01 -7.3228900000e-01 -1.3847500000e+00 -3.8196200000e-01  1.5919390000e+00  1.1399660000e+00  3.8434600000e-01  1.9860540000e+00  2.9051400000e-01  5.8268200000e-01  1.4016410000e+00  1.1032370000e+00 -5.5302800000e-01
+ENERGY -1.526549495265e+02
+FORCES  3.4773000000e-03  2.6752000000e-03  3.1902000000e-03 -6.4440000000e-04 -3.8404000000e-03 -2.8160000000e-03 -3.1472000000e-03  7.8850000000e-04 -7.0140000000e-04  2.8294000000e-03 -2.2954000000e-03 -3.2598000000e-03 -2.7574000000e-03  3.2039000000e-03 -1.0519000000e-03  2.4220000000e-04 -5.3180000000e-04  4.6389000000e-03
+
+JOB 43
+COORDS -9.0450100000e-01  1.0862290000e+00  1.4159440000e+00 -3.3159000000e-02  1.4313410000e+00  1.6106020000e+00 -1.0689890000e+00  1.3470260000e+00  5.0976500000e-01  8.9200600000e-01 -1.1480930000e+00 -1.4442400000e+00  1.4409470000e+00 -8.6330600000e-01 -7.1362900000e-01  2.0890000000e-03 -9.1276500000e-01 -1.1817490000e+00
+ENERGY -1.526546560563e+02
+FORCES  2.1228000000e-03  4.4260000000e-03 -1.6457000000e-03 -3.5217000000e-03 -2.1941000000e-03 -1.2232000000e-03  1.1594000000e-03 -2.6259000000e-03  3.5373000000e-03 -1.7484000000e-03  8.7460000000e-04  5.1091000000e-03 -1.7177000000e-03 -5.0200000000e-04 -3.4724000000e-03  3.7056000000e-03  2.1300000000e-05 -2.3052000000e-03
+
+JOB 44
+COORDS -1.4442460000e+00  3.3379600000e-01 -1.2555140000e+00 -1.2290800000e+00  9.6331900000e-01 -1.9437270000e+00 -1.5646970000e+00 -4.9555300000e-01 -1.7180100000e+00  1.4401510000e+00 -3.4965900000e-01  1.2659510000e+00  1.3407220000e+00  5.8632900000e-01  1.4399400000e+00  1.5011960000e+00 -7.4983700000e-01  2.1333400000e+00
+ENERGY -1.526536684166e+02
+FORCES  1.3019000000e-03 -1.9436000000e-03 -4.4809000000e-03 -9.0730000000e-04 -2.2021000000e-03  2.9881000000e-03 -2.0860000000e-04  3.5720000000e-03  1.4607000000e-03 -1.5127000000e-03  2.8199000000e-03  3.7750000000e-03  1.4972000000e-03 -3.6430000000e-03 -1.9280000000e-04 -1.7060000000e-04  1.3968000000e-03 -3.5501000000e-03
+
+JOB 45
+COORDS -1.5044720000e+00  1.3238790000e+00 -4.3112100000e-01 -1.8456350000e+00  1.7717000000e+00  3.4302100000e-01 -5.5627600000e-01  1.3084270000e+00 -3.0105000000e-01  1.5128070000e+00 -1.3097680000e+00  3.7622200000e-01  1.4701830000e+00 -2.0593440000e+00  9.6998300000e-01  7.2173900000e-01 -1.3814320000e+00 -1.5791800000e-01
+ENERGY -1.526561495873e+02
+FORCES  2.7228000000e-03  2.8244000000e-03  4.1286000000e-03  1.1612000000e-03 -1.7728000000e-03 -3.2219000000e-03 -4.8201000000e-03 -5.9240000000e-04 -1.2342000000e-03 -3.3832000000e-03 -4.6061000000e-03  2.5370000000e-04  2.7990000000e-04  3.0094000000e-03 -2.4347000000e-03  4.0395000000e-03  1.1375000000e-03  2.5085000000e-03
+
+JOB 46
+COORDS  1.5681600000e+00  5.3342100000e-01  1.1943990000e+00  1.6197380000e+00  1.1253500000e+00  1.9448600000e+00  9.7174300000e-01  9.6916700000e-01  5.8559300000e-01 -1.5270080000e+00 -5.8079800000e-01 -1.2680580000e+00 -1.0364850000e+00 -2.3432400000e-01 -5.2269000000e-01 -2.2130030000e+00 -1.1198250000e+00 -8.7424000000e-01
+ENERGY -1.526537169953e+02
+FORCES -4.5980000000e-04  5.3424000000e-03  9.2900000000e-04 -2.5660000000e-04 -2.7156000000e-03 -3.2891000000e-03  5.5430000000e-04 -3.5132000000e-03  2.7237000000e-03 -8.0040000000e-04 -2.2647000000e-03  5.1096000000e-03 -1.6244000000e-03  7.6790000000e-04 -3.5762000000e-03  2.5870000000e-03  2.3833000000e-03 -1.8970000000e-03
+
+JOB 47
+COORDS  1.2587640000e+00 -1.6064010000e+00 -4.7868100000e-01  6.9081700000e-01 -8.3622000000e-01 -5.0078200000e-01  7.7095800000e-01 -2.2780580000e+00 -9.5528800000e-01 -1.2023110000e+00  1.6320790000e+00  4.4711000000e-01 -1.7270210000e+00  9.3698100000e-01  8.4428700000e-01 -5.6700700000e-01  1.8690380000e+00  1.1227370000e+00
+ENERGY -1.526561678907e+02
+FORCES -4.2649000000e-03  1.1577000000e-03 -2.8086000000e-03  3.0276000000e-03 -4.7844000000e-03  7.4210000000e-04  1.8324000000e-03  2.5233000000e-03  2.1065000000e-03 -7.2710000000e-04  1.1130000000e-04  5.6748000000e-03  2.8293000000e-03  2.4423000000e-03 -2.4056000000e-03 -2.6973000000e-03 -1.4502000000e-03 -3.3092000000e-03
+
+JOB 48
+COORDS -6.6074000000e-02 -7.0606400000e-01  1.9452190000e+00 -2.2001200000e-01 -7.5800200000e-01  2.8885310000e+00 -8.8977100000e-01 -3.7699600000e-01  1.5854000000e+00  1.7054000000e-01  6.7401600000e-01 -1.9484410000e+00 -8.0625000000e-02  3.6055600000e-01 -2.8172860000e+00 -5.1365200000e-01  1.3003720000e+00 -1.7122380000e+00
+ENERGY -1.526530401004e+02
+FORCES -3.8509000000e-03  1.1323000000e-03  1.6710000000e-03  7.3870000000e-04  2.1510000000e-04 -3.9615000000e-03  2.8798000000e-03 -1.1024000000e-03  2.0499000000e-03 -3.2350000000e-03  1.2751000000e-03 -2.8630000000e-03  1.0204000000e-03  1.3529000000e-03  3.6783000000e-03  2.4470000000e-03 -2.8730000000e-03 -5.7460000000e-04
+
+JOB 49
+COORDS  6.7399000000e-01 -1.8238410000e+00 -6.3992800000e-01  1.0195080000e+00 -2.2377610000e+00 -1.4308250000e+00  1.0723010000e+00 -2.3125590000e+00  8.0305000000e-02 -6.8056300000e-01  1.9117690000e+00  6.0438100000e-01 -4.8983800000e-01  1.0055390000e+00  8.4646300000e-01 -1.4697620000e+00  2.1314220000e+00  1.0995070000e+00
+ENERGY -1.526552529763e+02
+FORCES  3.5273000000e-03 -4.0004000000e-03 -1.7161000000e-03 -1.3362000000e-03  1.2556000000e-03  3.5075000000e-03 -1.9949000000e-03  2.4422000000e-03 -2.6296000000e-03 -2.0998000000e-03 -3.9180000000e-03  2.0493000000e-03 -1.2029000000e-03  5.0023000000e-03  6.5060000000e-04  3.1066000000e-03 -7.8180000000e-04 -1.8617000000e-03
+
+JOB 50
+COORDS  7.0161200000e-01 -1.8032480000e+00 -8.9483100000e-01 -1.5116900000e-01 -1.8186600000e+00 -4.6036600000e-01  1.3064160000e+00 -2.1691460000e+00 -2.4941500000e-01 -6.6753300000e-01  1.8246090000e+00  7.8055600000e-01 -1.2260880000e+00  2.4258150000e+00  1.2733030000e+00 -4.7245000000e-01  1.1186560000e+00  1.3968400000e+00
+ENERGY -1.526532340217e+02
+FORCES -1.2189000000e-03 -1.2462000000e-03  3.6334000000e-03  3.8019000000e-03 -2.7630000000e-04 -1.1419000000e-03 -2.6428000000e-03  1.7031000000e-03 -2.3782000000e-03 -1.0125000000e-03 -8.0000000000e-06  4.4440000000e-03  2.3507000000e-03 -2.6030000000e-03 -2.1434000000e-03 -1.2784000000e-03  2.4305000000e-03 -2.4140000000e-03
+
+JOB 51
+COORDS  1.0103000000e+00 -8.5135200000e-01 -1.7297730000e+00  5.8626700000e-01 -4.9728000000e-02 -1.4234620000e+00  1.8225630000e+00 -9.0083800000e-01 -1.2257770000e+00 -9.9142600000e-01  8.4793400000e-01  1.6338250000e+00 -1.5257750000e+00  1.2216510000e+00  2.3345670000e+00 -1.0899330000e+00 -9.8712000000e-02  1.7357530000e+00
+ENERGY -1.526561078863e+02
+FORCES  1.4723000000e-03  4.0083000000e-03  3.3900000000e-03  2.0985000000e-03 -4.1176000000e-03 -2.0792000000e-03 -3.1426000000e-03 -2.5420000000e-04 -2.0620000000e-03 -3.2642000000e-03 -2.1752000000e-03  3.9116000000e-03  2.1872000000e-03 -1.7245000000e-03 -2.7598000000e-03  6.4880000000e-04  4.2633000000e-03 -4.0060000000e-04
+
+JOB 52
+COORDS  1.2661220000e+00  8.2337100000e-01 -1.6040600000e+00  1.9919670000e+00  1.2407350000e+00 -1.1401770000e+00  8.9095200000e-01  2.1635500000e-01 -9.6608500000e-01 -1.3293450000e+00 -8.3701600000e-01  1.5086160000e+00 -5.7627700000e-01 -1.2378080000e+00  1.9427670000e+00 -1.2149920000e+00  1.0292300000e-01  1.6488650000e+00
+ENERGY -1.526545592764e+02
+FORCES  1.0133000000e-03 -1.3983000000e-03  3.9393000000e-03 -3.1403000000e-03 -1.6942000000e-03 -1.5648000000e-03  2.6769000000e-03  3.4055000000e-03 -2.4827000000e-03  1.8518000000e-03  1.9478000000e-03  3.8417000000e-03 -2.7270000000e-03  2.0813000000e-03 -2.6415000000e-03  3.2520000000e-04 -4.3422000000e-03 -1.0919000000e-03
+
+JOB 53
+COORDS -4.3208700000e-01 -1.7796200000e+00  1.1825790000e+00 -5.7661900000e-01 -1.3607170000e+00  2.0310260000e+00  5.1797700000e-01 -1.8800840000e+00  1.1232740000e+00  3.4201500000e-01  1.7664300000e+00 -1.2792840000e+00  3.1202800000e-01  2.0407360000e+00 -3.6272000000e-01  1.2104520000e+00  1.3780820000e+00 -1.3852750000e+00
+ENERGY -1.526531114761e+02
+FORCES  2.8864000000e-03  9.3860000000e-04  2.9872000000e-03  7.9030000000e-04 -1.4555000000e-03 -3.5803000000e-03 -3.7227000000e-03  7.4550000000e-04  2.5940000000e-04  2.7793000000e-03 -1.2564000000e-03  3.4532000000e-03  4.8710000000e-04 -6.8860000000e-04 -3.6200000000e-03 -3.2204000000e-03  1.7163000000e-03  5.0050000000e-04
+
+JOB 54
+COORDS -1.4679350000e+00  6.2541400000e-01  1.5635710000e+00 -7.6033500000e-01  9.9105000000e-01  2.0944610000e+00 -1.1720930000e+00  7.3651200000e-01  6.6004100000e-01  1.4035820000e+00 -6.6753100000e-01 -1.4838410000e+00  1.7195000000e+00 -1.2375540000e+00 -2.1849120000e+00  1.2997750000e+00  1.8864000000e-01 -1.8990860000e+00
+ENERGY -1.526545760295e+02
+FORCES  4.9388000000e-03  7.7640000000e-04 -1.8982000000e-03 -3.1148000000e-03 -1.0039000000e-03 -1.8898000000e-03 -1.9493000000e-03  8.2540000000e-04  3.7006000000e-03  1.5360000000e-03  8.2600000000e-05 -5.2062000000e-03 -1.1909000000e-03  2.5888000000e-03  2.8420000000e-03 -2.1970000000e-04 -3.2694000000e-03  2.4515000000e-03
+
+JOB 55
+COORDS -1.8626100000e+00 -1.0737910000e+00 -5.5822800000e-01 -1.5510530000e+00 -1.9508640000e+00 -3.3483200000e-01 -1.5432340000e+00 -9.2512200000e-01 -1.4482440000e+00  1.8352620000e+00  1.0868960000e+00  5.3439300000e-01  1.6940040000e+00  2.0318050000e+00  5.9292400000e-01  1.8191050000e+00  7.8511200000e-01  1.4426310000e+00
+ENERGY -1.526543256434e+02
+FORCES  3.6986000000e-03 -2.4523000000e-03 -2.8234000000e-03 -1.5758000000e-03  3.2794000000e-03 -7.1790000000e-04 -2.0105000000e-03 -9.0210000000e-04  3.2787000000e-03 -1.6009000000e-03  2.6107000000e-03  4.1831000000e-03  9.0340000000e-04 -3.7130000000e-03 -3.1940000000e-04  5.8520000000e-04  1.1773000000e-03 -3.6012000000e-03
+
+JOB 56
+COORDS -7.8563900000e-01  1.7491010000e+00  1.2181600000e+00 -3.8323800000e-01  8.8062300000e-01  1.2110300000e+00 -2.2088800000e-01  2.2705950000e+00  1.7885400000e+00  6.5579900000e-01 -1.7169960000e+00 -1.2516910000e+00  1.0839520000e+00 -2.5673850000e+00 -1.3504650000e+00  1.3771600000e+00 -1.0908670000e+00 -1.1897830000e+00
+ENERGY -1.526545202332e+02
+FORCES  3.3018000000e-03 -2.0817000000e-03  2.1691000000e-03 -1.0389000000e-03  4.5559000000e-03  5.1200000000e-04 -2.1107000000e-03 -2.1301000000e-03 -2.4505000000e-03  4.7334000000e-03 -1.3882000000e-03 -1.3423000000e-03 -1.7254000000e-03  3.6481000000e-03  4.6820000000e-04 -3.1602000000e-03 -2.6041000000e-03  6.4360000000e-04
+
+JOB 57
+COORDS -7.6243600000e-01 -1.3439950000e+00 -1.8071880000e+00 -8.3510000000e-03 -1.0183290000e+00 -2.2986440000e+00 -1.4737850000e+00 -7.4519200000e-01 -2.0344540000e+00  7.9537100000e-01  1.2687350000e+00  1.9051870000e+00  1.0709360000e+00  1.3042270000e+00  9.8919800000e-01 -6.9197000000e-02  1.6794790000e+00  1.9117910000e+00
+ENERGY -1.526536428512e+02
+FORCES -5.2400000000e-05  2.9860000000e-03 -3.3168000000e-03 -3.0866000000e-03 -9.2600000000e-04  2.3727000000e-03  3.1419000000e-03 -2.1826000000e-03  1.1878000000e-03 -2.7509000000e-03  9.7220000000e-04 -3.8825000000e-03 -8.0960000000e-04  4.5700000000e-04  3.6303000000e-03  3.5576000000e-03 -1.3067000000e-03  8.5000000000e-06
+
+JOB 58
+COORDS -2.8621000000e-01  2.2124430000e+00 -9.2907000000e-01  4.1949500000e-01  2.5177740000e+00 -1.4991450000e+00 -1.0886660000e+00  2.4250510000e+00 -1.4056140000e+00  2.8957200000e-01 -2.2965890000e+00  9.5485700000e-01 -3.4721100000e-01 -2.0514170000e+00  1.6261460000e+00  9.4427100000e-01 -1.5987160000e+00  9.7882100000e-01
+ENERGY -1.526547622013e+02
+FORCES -6.9310000000e-04  2.0114000000e-03 -4.6942000000e-03 -2.7895000000e-03 -1.2437000000e-03  2.4780000000e-03  3.3194000000e-03 -6.6080000000e-04  2.0042000000e-03 -1.9320000000e-04  4.7989000000e-03  2.4335000000e-03  2.4929000000e-03 -1.4391000000e-03 -2.4237000000e-03 -2.1365000000e-03 -3.4668000000e-03  2.0210000000e-04
+
+JOB 59
+COORDS -2.2647400000e+00 -1.0291090000e+00  2.1427200000e-01 -1.8397590000e+00 -1.8544030000e+00  4.4775200000e-01 -1.9943070000e+00 -4.1770400000e-01  8.9931400000e-01  2.1698400000e+00  1.0718850000e+00 -2.4404700000e-01  2.9614230000e+00  1.4538240000e+00 -6.2319300000e-01  2.3845450000e+00  1.4716800000e-01 -1.2144000000e-01
+ENERGY -1.526540656301e+02
+FORCES  3.0702000000e-03 -1.9490000000e-04  3.6242000000e-03 -1.5986000000e-03  3.1670000000e-03 -9.8220000000e-04 -1.4697000000e-03 -2.9716000000e-03 -2.5418000000e-03  4.1339000000e-03 -2.1012000000e-03 -1.6235000000e-03 -3.1959000000e-03 -1.6045000000e-03  1.6295000000e-03 -9.3980000000e-04  3.7052000000e-03 -1.0620000000e-04
+
+JOB 60
+COORDS  1.2722220000e+00 -9.8959500000e-01 -1.8945310000e+00  5.7713700000e-01 -9.7741500000e-01 -1.2365480000e+00  1.0356130000e+00 -1.7087160000e+00 -2.4802900000e+00 -1.2641600000e+00  9.7632400000e-01  1.8892380000e+00 -1.1235560000e+00  1.6176020000e+00  2.5858180000e+00 -6.6947000000e-01  1.2473870000e+00  1.1898810000e+00
+ENERGY -1.526546613469e+02
+FORCES -3.8894000000e-03 -3.5683000000e-03  1.7820000000e-04  3.0687000000e-03  7.9380000000e-04 -2.7300000000e-03  1.0512000000e-03  2.9601000000e-03  2.3190000000e-03  3.0273000000e-03  4.3683000000e-03  5.2720000000e-04 -6.6520000000e-04 -2.6163000000e-03 -2.8582000000e-03 -2.5926000000e-03 -1.9376000000e-03  2.5637000000e-03
+
+JOB 61
+COORDS  2.3501690000e+00  7.4595200000e-01 -6.8081300000e-01  1.8624840000e+00  6.4036300000e-01 -1.4976640000e+00  1.7666620000e+00  1.2535750000e+00 -1.1683600000e-01 -2.2467230000e+00 -7.9822900000e-01  6.5569700000e-01 -2.1285350000e+00 -2.3577500000e-01  1.4211440000e+00 -3.1951920000e+00 -8.4241200000e-01  5.3450400000e-01
+ENERGY -1.526543357439e+02
+FORCES -5.0182000000e-03  9.9570000000e-04 -1.0836000000e-03  2.4154000000e-03  7.8370000000e-04  3.0688000000e-03  2.6324000000e-03 -1.6265000000e-03 -2.0008000000e-03 -3.6981000000e-03  1.5469000000e-03  2.9660000000e-03 -3.0340000000e-04 -1.9703000000e-03 -3.4114000000e-03  3.9719000000e-03  2.7060000000e-04  4.6100000000e-04
+
+JOB 62
+COORDS -1.3520400000e+00  2.0636750000e+00  8.6558000000e-02 -2.1255940000e+00  2.5898560000e+00 -1.1587500000e-01 -9.1188100000e-01  2.5439910000e+00  7.8783500000e-01  1.3747740000e+00 -2.1612630000e+00 -1.5968800000e-01  8.6344300000e-01 -1.3535260000e+00 -1.1137700000e-01  1.8527670000e+00 -2.1926340000e+00  6.6902800000e-01
+ENERGY -1.526550785154e+02
+FORCES -1.9913000000e-03  4.6174000000e-03  1.6836000000e-03  3.2560000000e-03 -2.0183000000e-03  9.9520000000e-04 -1.6087000000e-03 -2.3174000000e-03 -2.8208000000e-03 -7.2190000000e-04  3.5798000000e-03  3.2776000000e-03  2.8366000000e-03 -3.9491000000e-03  8.0200000000e-05 -1.7706000000e-03  8.7400000000e-05 -3.2158000000e-03
+
+JOB 63
+COORDS  2.0620030000e+00  6.1815700000e-01 -1.2771340000e+00  2.6800400000e+00  3.7524200000e-01 -5.8774700000e-01  2.1689500000e+00  1.5645450000e+00 -1.3727570000e+00 -2.1118450000e+00 -6.3462100000e-01  1.1747300000e+00 -1.3347660000e+00 -6.6304600000e-01  1.7329160000e+00 -2.8004730000e+00 -1.0406580000e+00  1.7011880000e+00
+ENERGY -1.526535093340e+02
+FORCES  2.6864000000e-03  3.0422000000e-03  2.1283000000e-03 -2.6465000000e-03  8.9540000000e-04 -2.6034000000e-03 -2.4740000000e-04 -3.9248000000e-03  4.3000000000e-04  7.4930000000e-04 -1.8264000000e-03  4.0647000000e-03 -3.3349000000e-03  1.1670000000e-04 -1.8419000000e-03  2.7932000000e-03  1.6969000000e-03 -2.1777000000e-03
+
+JOB 64
+COORDS  2.5429590000e+00  3.3448600000e-01 -3.6709100000e-01  2.1928230000e+00 -2.7601200000e-01  2.8169900000e-01  2.1499480000e+00  1.1772780000e+00 -1.4020800000e-01 -2.5225760000e+00 -3.1388000000e-01  2.6722600000e-01 -2.5841860000e+00 -1.6061300000e-01  1.2100650000e+00 -2.0113890000e+00 -1.1192540000e+00  1.8790800000e-01
+ENERGY -1.526539582668e+02
+FORCES -3.2730000000e-03  1.3477000000e-03  3.3244000000e-03  1.3394000000e-03  2.1694000000e-03 -2.5396000000e-03  1.9455000000e-03 -3.5279000000e-03 -7.2330000000e-04  1.1677000000e-03 -2.9991000000e-03  3.1935000000e-03  6.5430000000e-04 -5.1680000000e-04 -3.9173000000e-03 -1.8339000000e-03  3.5267000000e-03  6.6240000000e-04
+
+JOB 65
+COORDS -8.8906300000e-01  1.1891440000e+00 -2.2808030000e+00 -5.8131400000e-01  1.7578460000e+00 -2.9865640000e+00 -8.0156600000e-01  1.7201920000e+00 -1.4892450000e+00  8.6032900000e-01 -1.1971620000e+00  2.2415490000e+00  2.0829700000e-01 -1.5740850000e+00  2.8323240000e+00  1.5952260000e+00 -1.8096720000e+00  2.2730170000e+00
+ENERGY -1.526541726627e+02
+FORCES  1.9034000000e-03  4.2473000000e-03  9.3330000000e-04 -1.2678000000e-03 -2.3098000000e-03  2.7471000000e-03 -6.5980000000e-04 -1.7764000000e-03 -3.6424000000e-03  2.5630000000e-04 -4.3479000000e-03  2.1899000000e-03  2.7016000000e-03  1.6432000000e-03 -2.2805000000e-03 -2.9337000000e-03  2.5436000000e-03  5.2700000000e-05
+
+JOB 66
+COORDS  1.2607720000e+00  2.4192410000e+00  6.1733300000e-01  3.1172900000e-01  2.2979470000e+00  5.8838900000e-01  1.5766460000e+00  1.7084800000e+00  1.1752520000e+00 -1.2796220000e+00 -2.3431930000e+00 -6.1114400000e-01 -1.2359070000e+00 -2.6479730000e+00 -1.5174730000e+00 -4.3542700000e-01 -2.5905280000e+00 -2.3379600000e-01
+ENERGY -1.526545165277e+02
+FORCES -2.9908000000e-03 -3.4406000000e-03  2.0980000000e-03  4.1025000000e-03  7.5780000000e-04  2.2450000000e-04 -1.0242000000e-03  2.7824000000e-03 -2.2598000000e-03  3.5286000000e-03 -2.5955000000e-03 -2.5560000000e-03 -1.8680000000e-04  1.2088000000e-03  3.8039000000e-03 -3.4293000000e-03  1.2871000000e-03 -1.3107000000e-03
+
+JOB 67
+COORDS -3.4640600000e-01  2.7203430000e+00 -4.6537800000e-01 -1.9027400000e-01  2.3571580000e+00  4.0637400000e-01  5.1909000000e-01  2.9923950000e+00 -7.7055900000e-01  3.4486400000e-01 -2.7542160000e+00  4.0685200000e-01 -5.5306900000e-01 -2.6492450000e+00  9.2322000000e-02  4.1578900000e-01 -2.1418310000e+00  1.1390990000e+00
+ENERGY -1.526540186905e+02
+FORCES  4.4396000000e-03 -1.0180000000e-04  2.0387000000e-03 -8.1380000000e-04  1.1356000000e-03 -3.4371000000e-03 -3.6304000000e-03 -1.0639000000e-03  1.3714000000e-03 -3.6289000000e-03  2.8185000000e-03  1.4263000000e-03  3.7633000000e-03 -5.3530000000e-04  1.4923000000e-03 -1.2970000000e-04 -2.2532000000e-03 -2.8916000000e-03
+
+JOB 68
+COORDS  2.0552310000e+00 -1.0507000000e-01 -1.8340220000e+00  2.7370390000e+00  2.9671000000e-02 -2.4922130000e+00  2.5327400000e+00 -2.0090800000e-01 -1.0099880000e+00 -2.1631060000e+00  8.3805000000e-02  1.7886350000e+00 -2.0761180000e+00  9.1869200000e-01  2.2486660000e+00 -1.3715740000e+00 -4.0176900000e-01  2.0208570000e+00
+ENERGY -1.526536195612e+02
+FORCES  4.6855000000e-03  1.7070000000e-04  4.1100000000e-04 -2.7895000000e-03 -5.4520000000e-04  2.7471000000e-03 -2.0586000000e-03  3.8090000000e-04 -3.1388000000e-03  3.7252000000e-03  1.4630000000e-03  2.3231000000e-03 -3.7500000000e-04 -3.4248000000e-03 -1.7239000000e-03 -3.1877000000e-03  1.9554000000e-03 -6.1850000000e-04
+
+JOB 69
+COORDS -1.2444710000e+00 -1.9095940000e+00  1.8429290000e+00 -5.9009600000e-01 -1.2764340000e+00  1.5477460000e+00 -9.9902800000e-01 -2.7275970000e+00  1.4106550000e+00  1.1578450000e+00  1.8839190000e+00 -1.8378120000e+00  9.1144600000e-01  2.5459370000e+00 -1.1918620000e+00  2.1147680000e+00  1.9040430000e+00 -1.8490410000e+00
+ENERGY -1.526544741532e+02
+FORCES  3.6198000000e-03 -6.5940000000e-04 -3.4635000000e-03 -2.6214000000e-03 -2.5854000000e-03  1.6911000000e-03 -9.8590000000e-04  3.1771000000e-03  1.9379000000e-03  2.8939000000e-03  3.3291000000e-03  2.1336000000e-03  1.0803000000e-03 -2.9955000000e-03 -2.4966000000e-03 -3.9868000000e-03 -2.6600000000e-04  1.9760000000e-04
+
+JOB 70
+COORDS -2.7172210000e+00 -1.4672330000e+00 -1.9566700000e-01 -1.7678590000e+00 -1.4605290000e+00 -7.3608000000e-02 -2.8477180000e+00 -1.1283320000e+00 -1.0813010000e+00  2.6874230000e+00  1.4258080000e+00  1.8811900000e-01  2.5218440000e+00  9.5718900000e-01  1.0061720000e+00  2.4275410000e+00  2.3285480000e+00  3.7184100000e-01
+ENERGY -1.526544493839e+02
+FORCES  3.4564000000e-03  1.3747000000e-03 -3.3801000000e-03 -3.9579000000e-03 -5.0400000000e-05 -2.0120000000e-04  3.9190000000e-04 -1.3773000000e-03  3.6500000000e-03 -1.3310000000e-03  2.1045000000e-03  4.2801000000e-03  4.4390000000e-04  1.7401000000e-03 -3.5364000000e-03  9.9680000000e-04 -3.7917000000e-03 -8.1240000000e-04
+
+JOB 71
+COORDS -1.5088490000e+00 -2.5525650000e+00 -6.4777100000e-01 -1.5088680000e+00 -3.2391200000e+00  1.9218000000e-02 -2.4148820000e+00 -2.5157810000e+00 -9.5434000000e-01  1.5084490000e+00  2.5814440000e+00  6.1341000000e-01  1.8926750000e+00  2.5391770000e+00  1.4890900000e+00  2.2421040000e+00  2.8028500000e+00  3.9859000000e-02
+ENERGY -1.526536274966e+02
+FORCES -3.7143000000e-03 -2.2972000000e-03  1.5597000000e-03  4.0900000000e-05  2.7072000000e-03 -2.7286000000e-03  3.6800000000e-03 -2.9360000000e-04  1.2006000000e-03  4.5082000000e-03  3.3010000000e-04  1.0768000000e-03 -1.5576000000e-03  2.9300000000e-04 -3.4907000000e-03 -2.9572000000e-03 -7.3950000000e-04  2.3821000000e-03
+
+JOB 72
+COORDS  1.4272180000e+00 -2.7436850000e+00 -1.3707500000e-01  2.0212640000e+00 -3.4870860000e+00 -3.3653000000e-02  1.6269680000e+00 -2.1719390000e+00  6.0416500000e-01 -1.4623130000e+00  2.7446990000e+00  2.7959000000e-02 -1.3416630000e+00  2.0879090000e+00  7.1374500000e-01 -1.6516270000e+00  3.5545130000e+00  5.0187200000e-01
+ENERGY -1.526537779038e+02
+FORCES  3.3845000000e-03 -6.9930000000e-04  3.2290000000e-03 -2.4551000000e-03  3.0432000000e-03 -3.8480000000e-04 -9.8730000000e-04 -2.2895000000e-03 -2.8695000000e-03 -4.1040000000e-04  4.6120000000e-04  4.5864000000e-03 -3.5000000000e-04  2.7934000000e-03 -2.6357000000e-03  8.1830000000e-04 -3.3089000000e-03 -1.9254000000e-03
+
+JOB 73
+COORDS  2.8158200000e-01  1.9878390000e+00  2.4501390000e+00  3.9054800000e-01  1.5093300000e+00  3.2719580000e+00  1.1637370000e+00  2.0361070000e+00  2.0817560000e+00 -3.0206200000e-01 -2.0096930000e+00 -2.5024570000e+00 -1.0869070000e+00 -1.5109560000e+00 -2.7294170000e+00 -5.7546000000e-02 -1.6902470000e+00 -1.6338960000e+00
+ENERGY -1.526544709525e+02
+FORCES  4.1559000000e-03 -1.3702000000e-03  2.2403000000e-03 -4.6680000000e-04  1.8666000000e-03 -3.5021000000e-03 -3.7383000000e-03 -4.0580000000e-04  1.3506000000e-03 -2.3975000000e-03  3.4915000000e-03  2.7179000000e-03  3.2088000000e-03 -2.1183000000e-03  7.9260000000e-04 -7.6210000000e-04 -1.4638000000e-03 -3.5993000000e-03
+
+JOB 74
+COORDS -2.4920750000e+00 -1.0148000000e+00 -2.1414240000e+00 -2.5142980000e+00 -1.6702100000e+00 -2.8386870000e+00 -2.1856640000e+00 -1.4938430000e+00 -1.3714490000e+00  2.4534290000e+00  1.0603800000e+00  2.1882880000e+00  3.0222290000e+00  5.7184700000e-01  1.5932810000e+00  2.3153640000e+00  1.9011420000e+00  1.7520660000e+00
+ENERGY -1.526542620639e+02
+FORCES  1.0385000000e-03 -4.6579000000e-03  4.6070000000e-04  1.4580000000e-04  2.6918000000e-03  2.8078000000e-03 -1.2210000000e-03  1.9311000000e-03 -3.2993000000e-03  1.7175000000e-03  1.6218000000e-03 -4.2673000000e-03 -2.3298000000e-03  1.8754000000e-03  2.4541000000e-03  6.4900000000e-04 -3.4623000000e-03  1.8440000000e-03
+
+JOB 75
+COORDS -3.2547860000e+00  1.3297340000e+00 -4.1012100000e-01 -3.4130720000e+00  1.4596480000e+00  5.2491900000e-01 -4.1270180000e+00  1.3360930000e+00 -8.0433300000e-01  3.2775810000e+00 -1.3797050000e+00  3.7164100000e-01  3.6888970000e+00 -1.1202280000e+00  1.1960940000e+00  3.5510470000e+00 -7.0926400000e-01 -2.5442300000e-01
+ENERGY -1.526539457843e+02
+FORCES -4.1518000000e-03  3.5030000000e-04  2.2530000000e-03  6.1070000000e-04 -4.1660000000e-04 -3.8169000000e-03  3.5524000000e-03  2.6900000000e-05  1.5906000000e-03  2.5558000000e-03  3.9326000000e-03  6.7620000000e-04 -1.6363000000e-03 -1.1006000000e-03 -3.3001000000e-03 -9.3080000000e-04 -2.7925000000e-03  2.5972000000e-03
+
+JOB 76
+COORDS -2.2250830000e+00  1.1659370000e+00 -2.6919080000e+00 -2.2949040000e+00  7.1603800000e-01 -1.8499180000e+00 -1.2906940000e+00  1.1447880000e+00 -2.8985510000e+00  2.1639230000e+00 -1.1646000000e+00  2.5912100000e+00  2.9836710000e+00 -9.4744300000e-01  3.0351550000e+00  1.4803110000e+00 -9.0195600000e-01  3.2075900000e+00
+ENERGY -1.526543848906e+02
+FORCES  3.6920000000e-03 -2.0641000000e-03  2.6289000000e-03  1.1830000000e-04  1.9130000000e-03 -3.4022000000e-03 -3.8686000000e-03  1.8980000000e-04  7.4380000000e-04  7.3700000000e-04  1.8507000000e-03  4.5144000000e-03 -3.3851000000e-03 -8.6290000000e-04 -1.8332000000e-03  2.7063000000e-03 -1.0265000000e-03 -2.6516000000e-03
+
+JOB 77
+COORDS -6.7485100000e-01  3.0476570000e+00  2.2956340000e+00 -1.1735060000e+00  3.5044830000e+00  2.9730450000e+00 -6.8373600000e-01  2.1302610000e+00  2.5686500000e+00  7.1988800000e-01 -2.9752090000e+00 -2.3935620000e+00  9.2853700000e-01 -3.0161320000e+00 -1.4602760000e+00  2.3800800000e-01 -3.7837850000e+00 -2.5674220000e+00
+ENERGY -1.526538698769e+02
+FORCES -2.0987000000e-03 -1.8420000000e-03  3.7920000000e-03  2.0459000000e-03 -1.8825000000e-03 -2.7539000000e-03  6.3600000000e-05  3.6903000000e-03 -1.0632000000e-03 -1.0795000000e-03 -3.4005000000e-03  3.0404000000e-03 -8.9270000000e-04  1.3460000000e-04 -3.7525000000e-03  1.9614000000e-03  3.3000000000e-03  7.3720000000e-04
+
+JOB 78
+COORDS -9.3180300000e-01  1.7822290000e+00 -3.4185840000e+00 -6.0139600000e-01  2.4764160000e+00 -2.8483500000e+00 -6.5358400000e-01  9.7048500000e-01 -2.9944410000e+00  8.9445200000e-01 -1.7147720000e+00  3.3748480000e+00  1.6320980000e+00 -2.3234820000e+00  3.3350860000e+00  1.5098600000e-01 -2.2164990000e+00  3.0405440000e+00
+ENERGY -1.526542229962e+02
+FORCES  2.5243000000e-03 -4.0450000000e-04  4.1681000000e-03 -1.3651000000e-03 -2.8197000000e-03 -2.4027000000e-03 -1.1736000000e-03  3.2164000000e-03 -1.8051000000e-03 -2.4300000000e-05 -4.6581000000e-03 -1.2647000000e-03 -3.0274000000e-03  2.5324000000e-03  7.4200000000e-05  3.0661000000e-03  2.1335000000e-03  1.2303000000e-03
+
+JOB 79
+COORDS -2.5025030000e+00  9.9613200000e-01  2.7960200000e+00 -3.1684670000e+00  3.9252400000e-01  2.4668080000e+00 -2.4060460000e+00  7.6623800000e-01  3.7201830000e+00  2.5381500000e+00 -1.0120690000e+00 -2.8440760000e+00  3.2594670000e+00 -4.6724200000e-01 -2.5292790000e+00  1.8014010000e+00 -4.0736700000e-01 -2.9322100000e+00
+ENERGY -1.526542622143e+02
+FORCES -2.3328000000e-03 -3.4830000000e-03  2.4854000000e-03  2.7102000000e-03  2.5081000000e-03  1.3143000000e-03 -3.9830000000e-04  9.6860000000e-04 -3.7665000000e-03 -1.4280000000e-04  4.7778000000e-03  1.0802000000e-03 -2.8621000000e-03 -2.2537000000e-03 -1.3440000000e-03  3.0257000000e-03 -2.5178000000e-03  2.3060000000e-04
+
+JOB 80
+COORDS  4.6481400000e-01  4.1261110000e+00 -5.0205300000e-01 -4.8676100000e-01  4.0858510000e+00 -4.0657600000e-01  6.3864100000e-01  3.7151260000e+00 -1.3488750000e+00 -4.4241500000e-01 -4.0857750000e+00  4.7585200000e-01 -9.5959000000e-01 -4.5938730000e+00  1.1008310000e+00  3.6731900000e-01 -3.8821230000e+00  9.4392100000e-01
+ENERGY -1.526542387237e+02
+FORCES -3.2173000000e-03 -1.9456000000e-03 -3.1065000000e-03  3.8798000000e-03  2.3430000000e-04 -3.5710000000e-04 -6.6680000000e-04  1.7425000000e-03  3.4531000000e-03  1.2443000000e-03 -1.2570000000e-03  4.5113000000e-03  2.0852000000e-03  2.0758000000e-03 -2.5623000000e-03 -3.3254000000e-03 -8.5000000000e-04 -1.9385000000e-03
+
+JOB 81
+COORDS  2.9824610000e+00 -1.8170290000e+00  2.5615970000e+00  3.2324930000e+00 -1.1918750000e+00  1.8812310000e+00  3.6877010000e+00 -2.4642260000e+00  2.5637290000e+00 -3.0011960000e+00  1.8509390000e+00 -2.5630380000e+00 -2.7611700000e+00  1.1127200000e+00 -2.0029910000e+00 -3.9274400000e+00  2.0031550000e+00 -2.3755960000e+00
+ENERGY -1.526542208628e+02
+FORCES  3.9897000000e-03 -6.1900000000e-05 -2.7396000000e-03 -1.0788000000e-03 -2.5800000000e-03  2.7723000000e-03 -2.8952000000e-03  2.6281000000e-03 -1.1700000000e-05 -2.8320000000e-03 -2.4090000000e-03  3.1165000000e-03 -9.5000000000e-04  3.0303000000e-03 -2.3444000000e-03  3.7662000000e-03 -6.0760000000e-04 -7.9310000000e-04
+
+JOB 82
+COORDS  2.3136960000e+00 -2.9958820000e+00 -2.0847170000e+00  2.4085090000e+00 -2.6637790000e+00 -2.9774380000e+00  3.1515020000e+00 -3.4184350000e+00 -1.8956100000e+00 -2.3164890000e+00  3.0218360000e+00  2.0843840000e+00 -3.0154600000e+00  3.4873530000e+00  2.5436930000e+00 -2.4209070000e+00  2.1084800000e+00  2.3510500000e+00
+ENERGY -1.526540976926e+02
+FORCES  3.8165000000e-03 -2.5070000000e-04 -2.8857000000e-03 -3.7900000000e-04 -1.4199000000e-03  3.6278000000e-03 -3.4246000000e-03  1.6839000000e-03 -7.5960000000e-04 -3.2137000000e-03 -1.9659000000e-03  2.9047000000e-03  2.8416000000e-03 -1.8577000000e-03 -1.8675000000e-03  3.5930000000e-04  3.8103000000e-03 -1.0196000000e-03
+
+JOB 83
+COORDS -3.1805460000e+00 -1.3909260000e+00 -2.8332670000e+00 -3.8265930000e+00 -6.8542800000e-01 -2.7996900000e+00 -2.3640810000e+00 -9.8257200000e-01 -2.5454070000e+00  3.1542140000e+00  1.3887790000e+00  2.7863800000e+00  3.7448880000e+00  7.1219500000e-01  2.4553670000e+00  2.9230680000e+00  1.0953360000e+00  3.6676830000e+00
+ENERGY -1.526542341714e+02
+FORCES  7.2760000000e-04  4.6161000000e-03  1.3390000000e-03  2.5954000000e-03 -2.9001000000e-03 -1.5430000000e-04 -3.3422000000e-03 -1.7311000000e-03 -1.2046000000e-03  1.5580000000e-03 -3.9529000000e-03  2.3339000000e-03 -2.4547000000e-03  2.7664000000e-03  1.3090000000e-03  9.1590000000e-04  1.2016000000e-03 -3.6230000000e-03
+
+JOB 84
+COORDS -9.3352000000e-02 -3.2863550000e+00  3.1312520000e+00 -2.8762400000e-01 -3.3915130000e+00  2.1998920000e+00 -8.0649900000e-01 -3.7423630000e+00  3.5781400000e+00  1.5854500000e-01  3.3160950000e+00 -3.0393800000e+00 -7.2137700000e-01  3.3914040000e+00 -3.4085650000e+00  7.3184700000e-01  3.2302700000e+00 -3.8010820000e+00
+ENERGY -1.526539971289e+02
+FORCES -3.6901000000e-03 -2.1603000000e-03 -2.0333000000e-03  7.7490000000e-04  3.3040000000e-04  3.8237000000e-03  2.9066000000e-03  1.8301000000e-03 -1.8084000000e-03 -1.2046000000e-03  1.7400000000e-05 -4.5855000000e-03  3.5772000000e-03 -3.4500000000e-04  1.5044000000e-03 -2.3640000000e-03  3.2740000000e-04  3.0992000000e-03
+
+JOB 85
+COORDS  3.1780720000e+00 -3.3758080000e+00  5.5838200000e-01  3.4158460000e+00 -4.2617490000e+00  8.3188400000e-01  3.4023970000e+00 -3.3434090000e+00 -3.7159700000e-01 -3.2104350000e+00  3.4649750000e+00 -4.7341400000e-01 -3.2353650000e+00  2.5086150000e+00 -4.4203600000e-01 -3.0544750000e+00  3.6708670000e+00 -1.3951070000e+00
+ENERGY -1.526540805781e+02
+FORCES  1.9690000000e-03 -3.4924000000e-03 -2.6160000000e-03 -9.9240000000e-04  3.6166000000e-03 -1.1400000000e-03 -9.7070000000e-04 -1.1870000000e-04  3.7697000000e-03  6.2750000000e-04 -3.1262000000e-03 -3.5581000000e-03  2.8800000000e-05  3.9356000000e-03 -1.8280000000e-04 -6.6230000000e-04 -8.1490000000e-04  3.7271000000e-03
+
+JOB 86
+COORDS  4.5630260000e+00  3.8679300000e-01  2.6740940000e+00  4.5039530000e+00  4.1461200000e-01  1.7191240000e+00  3.6697820000e+00  2.0241100000e-01  2.9645250000e+00 -4.5597240000e+00 -3.8960500000e-01 -2.5911700000e+00 -4.4724180000e+00 -8.4452700000e-01 -3.4288190000e+00 -3.8395390000e+00  2.4088500000e-01 -2.5842830000e+00
+ENERGY -1.526540366566e+02
+FORCES -3.8872000000e-03 -6.6430000000e-04 -2.6581000000e-03  2.3170000000e-04 -9.9600000000e-05  3.8683000000e-03  3.6550000000e-03  7.6930000000e-04 -1.2206000000e-03  3.1978000000e-03  7.2950000000e-04 -3.4567000000e-03 -3.1770000000e-04  1.8600000000e-03  3.4456000000e-03 -2.8795000000e-03 -2.5949000000e-03  2.1500000000e-05
+
+JOB 87
+COORDS -8.6702000000e-02 -2.8476240000e+00  4.5264030000e+00  4.3579400000e-01 -3.6456350000e+00  4.6064590000e+00 -9.1845400000e-01 -3.1416160000e+00  4.1549340000e+00  8.8767000000e-02  2.9524620000e+00 -4.5499280000e+00 -4.4801900000e-01  2.4023310000e+00 -3.9794460000e+00  9.8092900000e-01  2.6288600000e+00 -4.4251900000e+00
+ENERGY -1.526541090158e+02
+FORCES -1.2791000000e-03 -4.4885000000e-03 -1.0842000000e-03 -2.1282000000e-03  3.2704000000e-03 -3.6690000000e-04  3.4105000000e-03  1.2231000000e-03  1.4610000000e-03  1.4702000000e-03 -3.5348000000e-03  2.9035000000e-03  2.1672000000e-03  2.2230000000e-03 -2.3666000000e-03 -3.6406000000e-03  1.3068000000e-03 -5.4680000000e-04
+
+JOB 88
+COORDS -7.7845600000e-01 -3.0759510000e+00 -4.3566680000e+00  5.6243000000e-02 -2.7494760000e+00 -4.0206280000e+00 -5.8244100000e-01 -3.3626080000e+00 -5.2486540000e+00  6.8841700000e-01  3.0546130000e+00  4.4506060000e+00  9.6846000000e-01  2.4965740000e+00  3.7250720000e+00  9.2202600000e-01  3.9411670000e+00  4.1755050000e+00
+ENERGY -1.526540294041e+02
+FORCES  4.1807000000e-03  1.0490000000e-04 -2.2977000000e-03 -3.3983000000e-03 -1.2899000000e-03 -1.3445000000e-03 -7.8890000000e-04  1.1887000000e-03  3.6499000000e-03  2.0370000000e-03  1.3309000000e-03 -4.0895000000e-03 -1.0998000000e-03  2.2834000000e-03  2.9589000000e-03 -9.3070000000e-04 -3.6181000000e-03  1.1229000000e-03
+
+JOB 89
+COORDS -1.0969130000e+00 -5.5393110000e+00  2.4637450000e+00 -1.8753630000e+00 -5.9646050000e+00  2.8234290000e+00 -4.9511800000e-01 -6.2595760000e+00  2.2758780000e+00  1.1307800000e+00  5.5656020000e+00 -2.4271080000e+00  1.2886500000e+00  5.4762940000e+00 -3.3669660000e+00  4.7046900000e-01  6.2552400000e+00 -2.3591380000e+00
+ENERGY -1.526540056847e+02
+FORCES -6.9910000000e-04 -4.6449000000e-03  7.0000000000e-04  3.1693000000e-03  1.7280000000e-03 -1.4692000000e-03 -2.4660000000e-03  2.9250000000e-03  7.6690000000e-04 -2.0742000000e-03  2.3996000000e-03 -3.5375000000e-03 -6.3360000000e-04  3.8550000000e-04  3.8257000000e-03  2.7036000000e-03 -2.7931000000e-03 -2.8590000000e-04
+
+JOB 0
+COORDS -9.1736000000e-02  1.2488030000e+00 -7.5580000000e-03  6.5373800000e-01  1.8453420000e+00 -7.5685000000e-02 -8.5441300000e-01  1.8238860000e+00  5.4365000000e-02  1.0627600000e-01 -1.3512630000e+00 -4.9210000000e-02 -2.0101000000e-02 -4.0437600000e-01  1.1329000000e-02  2.0772000000e-02 -1.6628810000e+00  8.5179800000e-01
+ENERGY -1.526589238747e+02
+FORCES  1.4027000000e-03 -1.0042800000e-02 -8.0000000000e-04 -5.2489000000e-03 -1.1411000000e-03  6.7530000000e-04  5.0651000000e-03 -1.4028000000e-03  1.3000000000e-06 -1.6003000000e-03  1.7656100000e-02  1.8260000000e-03  4.8570000000e-04 -7.3336000000e-03  3.5900000000e-04 -1.0440000000e-04  2.2641000000e-03 -2.0616000000e-03
+
+JOB 1
+COORDS -1.1962370000e+00  3.9488100000e-01 -2.3996200000e-01 -1.0779320000e+00  1.2163000000e+00  2.3701500000e-01 -1.5227390000e+00  6.6130600000e-01 -1.0994070000e+00  1.2624200000e+00 -4.8214400000e-01  2.3342000000e-01  3.6593700000e-01 -7.0114300000e-01 -2.0722000000e-02  1.1624520000e+00  1.2883400000e-01  9.6345000000e-01
+ENERGY -1.526548690103e+02
+FORCES  9.6862000000e-03  2.5793000000e-03 -2.5910000000e-04 -3.6040000000e-04 -3.8783000000e-03 -1.4767000000e-03  1.8537000000e-03 -9.7260000000e-04  4.1971000000e-03 -1.7101700000e-02  6.6632000000e-03 -1.4746000000e-03  5.1559000000e-03 -4.3475000000e-03  3.9330000000e-04  7.6630000000e-04 -4.4100000000e-05 -1.3800000000e-03
+
+JOB 2
+COORDS  2.5050700000e-01  6.4103500000e-01 -1.0889090000e+00 -6.8897500000e-01  8.2393900000e-01 -1.1012160000e+00  6.3545600000e-01  1.3255600000e+00 -1.6361490000e+00 -2.0202400000e-01 -6.8524100000e-01  1.1784690000e+00  2.5327100000e-01 -3.6367300000e-01  4.0030900000e-01 -9.9710400000e-01 -1.0959430000e+00  8.3875800000e-01
+ENERGY -1.526575470102e+02
+FORCES -2.0690000000e-03  1.2900000000e-04  5.7218000000e-03  4.7890000000e-03 -2.1076000000e-03 -4.3710000000e-04 -3.7290000000e-03 -2.4853000000e-03  2.3521000000e-03  3.5677000000e-03  4.9654000000e-03 -1.2730900000e-02 -4.1558000000e-03 -3.5278000000e-03  4.9908000000e-03  1.5971000000e-03  3.0262000000e-03  1.0330000000e-04
+
+JOB 3
+COORDS  4.4019200000e-01  1.0973380000e+00 -5.0125500000e-01 -9.4174000000e-02  1.8430790000e+00 -7.7430300000e-01  1.2049950000e+00  1.4910590000e+00 -8.1385000000e-02 -5.0582100000e-01 -1.1938510000e+00  5.2399100000e-01 -3.8131700000e-01 -2.4500700000e-01  5.4461600000e-01  2.5766000000e-01 -1.5258660000e+00  5.1662000000e-02
+ENERGY -1.526576200429e+02
+FORCES -1.3715000000e-03 -1.4213000000e-03  4.6740000000e-04  2.9752000000e-03 -3.9221000000e-03  2.5769000000e-03 -4.7070000000e-03 -2.9478000000e-03 -1.6714000000e-03  7.9424000000e-03  1.3255600000e-02 -9.0732000000e-03 -3.4288000000e-03 -3.5393000000e-03  5.5287000000e-03 -1.4103000000e-03 -1.4250000000e-03  2.1717000000e-03
+
+JOB 4
+COORDS  7.1939500000e-01 -8.2584300000e-01 -7.3812100000e-01  1.1507160000e+00 -1.5257890000e+00 -2.4794700000e-01  1.3044260000e+00 -6.5384600000e-01 -1.4759470000e+00 -7.6443700000e-01  9.1248400000e-01  7.8010800000e-01 -1.1084000000e-01  3.2734600000e-01  3.9715100000e-01 -1.5893690000e+00  4.3283100000e-01  7.0491800000e-01
+ENERGY -1.526602183531e+02
+FORCES  8.3880000000e-04  2.6387000000e-03 -4.5730000000e-04 -2.4549000000e-03  4.5606000000e-03 -2.2056000000e-03 -2.2091000000e-03 -2.5336000000e-03  3.8975000000e-03  5.2336000000e-03 -9.7996000000e-03 -9.3145000000e-03 -3.4862000000e-03  3.9616000000e-03  7.3843000000e-03  2.0777000000e-03  1.1722000000e-03  6.9560000000e-04
+
+JOB 5
+COORDS  6.6937700000e-01  1.0977510000e+00  2.4415800000e-01  9.4087300000e-01  1.7542180000e+00 -3.9738100000e-01  9.9131400000e-01  1.4325900000e+00  1.0811000000e+00 -7.6558900000e-01 -1.1684480000e+00 -2.8117900000e-01 -2.8366900000e-01 -3.5384300000e-01 -1.3833800000e-01 -1.7556200000e-01 -1.8543120000e+00  3.1377000000e-02
+ENERGY -1.526606632023e+02
+FORCES -2.0611000000e-03 -2.2542000000e-03  8.0400000000e-05 -6.9110000000e-04 -2.4959000000e-03  4.3559000000e-03 -3.1370000000e-04 -3.8460000000e-04 -4.8928000000e-03  9.0018000000e-03  9.8549000000e-03  3.4331000000e-03 -4.5213000000e-03 -6.7891000000e-03 -2.6461000000e-03 -1.4147000000e-03  2.0690000000e-03 -3.3070000000e-04
+
+JOB 6
+COORDS -1.7145600000e-01 -5.8731100000e-01 -1.2065090000e+00 -7.2071300000e-01 -1.0260650000e+00 -5.5686000000e-01 -5.5642000000e-02 -1.2363030000e+00 -1.9005030000e+00  2.4358400000e-01  6.7529000000e-01  1.2547520000e+00 -7.0334100000e-01  5.7109800000e-01  1.3480760000e+00  4.3172200000e-01  3.7402700000e-01  3.6588900000e-01
+ENERGY -1.526572084017e+02
+FORCES -1.6330000000e-04 -3.3726000000e-03  7.6960000000e-04  3.5865000000e-03  4.7369000000e-03 -1.5509000000e-03 -1.8498000000e-03  2.3461000000e-03  3.8607000000e-03 -1.9801000000e-03 -1.7293000000e-03 -9.9477000000e-03  2.8747000000e-03 -2.0510000000e-03 -7.8400000000e-04 -2.4679000000e-03  6.9900000000e-05  7.6524000000e-03
+
+JOB 7
+COORDS -4.0521400000e-01  1.1260050000e+00  6.2324600000e-01 -3.9486000000e-02  1.7689380000e+00  1.5701000000e-02 -1.2498420000e+00  1.4942240000e+00  8.8257100000e-01  4.8858000000e-01 -1.1589190000e+00 -6.2648200000e-01  1.2384600000e-01 -2.0380220000e+00 -7.2835700000e-01 -1.8002200000e-01 -6.7657500000e-01 -1.4012100000e-01
+ENERGY -1.526599974708e+02
+FORCES  2.0824000000e-03  3.1754000000e-03 -3.4539000000e-03 -3.1454000000e-03 -2.0798000000e-03  3.7447000000e-03  3.8375000000e-03 -2.4476000000e-03 -1.8998000000e-03 -4.4099000000e-03  6.1311000000e-03  5.3363000000e-03 -2.9230000000e-04  3.9698000000e-03  1.4352000000e-03  1.9277000000e-03 -8.7489000000e-03 -5.1625000000e-03
+
+JOB 8
+COORDS  9.0858700000e-01  9.2043000000e-01 -6.1670000000e-01  1.4256310000e+00  6.2240600000e-01 -1.3650840000e+00  3.7719700000e-01  1.6191200000e-01 -3.7481900000e-01 -8.6732400000e-01 -8.5913700000e-01  5.9901900000e-01 -9.6823800000e-01 -1.5671800000e+00  1.2351980000e+00 -1.5320130000e+00 -2.1672800000e-01  8.4747200000e-01
+ENERGY -1.526611997838e+02
+FORCES -4.4032000000e-03 -8.4994000000e-03  2.6876000000e-03 -1.9162000000e-03 -2.0490000000e-04  2.7009000000e-03  3.7290000000e-03  7.6280000000e-03 -5.0777000000e-03  4.8470000000e-04  1.4818000000e-03  2.9204000000e-03 -1.2859000000e-03  3.5880000000e-03 -2.2765000000e-03  3.3916000000e-03 -3.9935000000e-03 -9.5460000000e-04
+
+JOB 9
+COORDS  1.2407020000e+00  2.9061200000e-01  4.8047700000e-01  1.9404700000e+00  6.1559300000e-01 -8.6042000000e-02  1.1192250000e+00  9.8119700000e-01  1.1320660000e+00 -1.3224220000e+00 -4.0230500000e-01 -4.8220600000e-01 -1.3361240000e+00  3.3975400000e-01 -1.0866840000e+00 -5.0906800000e-01 -2.9513100000e-01  1.0947000000e-02
+ENERGY -1.526598574019e+02
+FORCES  8.4320000000e-04  2.3349000000e-03 -2.4470000000e-03 -3.2040000000e-03 -2.4050000000e-04  3.6093000000e-03 -3.0660000000e-04 -3.4523000000e-03 -4.3879000000e-03  1.2233500000e-02  4.7284000000e-03  1.7146000000e-03 -5.6990000000e-04 -1.7943000000e-03  1.2869000000e-03 -8.9962000000e-03 -1.5762000000e-03  2.2410000000e-04
+
+JOB 10
+COORDS -6.4378500000e-01  5.5247700000e-01 -1.0970720000e+00 -8.5521100000e-01 -2.0965000000e-02 -1.8337500000e+00  8.0875000000e-02  1.0920510000e+00 -1.4132360000e+00  6.2460100000e-01 -5.9405700000e-01  1.1462260000e+00  1.2403100000e-01 -3.4821800000e-01  1.9241880000e+00  8.0170700000e-01  2.3552100000e-01  7.0275500000e-01
+ENERGY -1.526515395562e+02
+FORCES  2.2087000000e-03 -5.2812000000e-03 -1.9099000000e-03  4.6570000000e-04  3.3416000000e-03  2.5270000000e-03 -1.6954000000e-03 -2.9778000000e-03  4.8764000000e-03 -7.1157000000e-03  6.6017000000e-03 -5.3641000000e-03  2.0036000000e-03 -1.1563000000e-03 -2.5279000000e-03  4.1330000000e-03 -5.2800000000e-04  2.3985000000e-03
+
+JOB 11
+COORDS  8.5591100000e-01 -1.1609630000e+00 -2.9827000000e-02  1.2659180000e+00 -7.4781900000e-01 -7.8972000000e-01  6.5690000000e-03 -1.4641590000e+00 -3.5064100000e-01 -8.4696100000e-01  1.1904590000e+00  3.8886000000e-02 -2.2971500000e-01  4.6120000000e-01  9.7374000000e-02 -1.1870410000e+00  1.2889370000e+00  9.2820000000e-01
+ENERGY -1.526591334439e+02
+FORCES -1.5090000000e-04 -2.7700000000e-03 -5.8827000000e-03 -4.2671000000e-03 -1.6680000000e-04  5.5551000000e-03  4.0295000000e-03  5.7616000000e-03  3.4155000000e-03  6.4262000000e-03 -6.7066000000e-03  5.2760000000e-03 -6.9769000000e-03  4.7841000000e-03 -5.3014000000e-03  9.3920000000e-04 -9.0240000000e-04 -3.0625000000e-03
+
+JOB 12
+COORDS -1.3237790000e+00  6.1010700000e-01  4.8748000000e-02 -4.1557100000e-01  3.3802300000e-01  1.8050800000e-01 -1.6119130000e+00  9.1009000000e-01  9.1085000000e-01  1.2308070000e+00 -5.7351200000e-01 -8.8759000000e-02  1.9865040000e+00 -2.8704100000e-01 -6.0167900000e-01  1.4624840000e+00 -1.4531810000e+00  2.0913300000e-01
+ENERGY -1.526611244997e+02
+FORCES  8.9245000000e-03 -3.4106000000e-03  1.3883000000e-03 -8.6757000000e-03  4.8636000000e-03  1.5225000000e-03  1.9028000000e-03 -1.6077000000e-03 -2.3580000000e-03  2.1300000000e-04 -1.5410000000e-03 -1.6086000000e-03 -2.7761000000e-03 -2.5695000000e-03  2.7593000000e-03  4.1150000000e-04  4.2653000000e-03 -1.7034000000e-03
+
+JOB 13
+COORDS  1.2050210000e+00  6.2747400000e-01 -5.6668600000e-01  1.5986790000e+00  1.2197200000e+00  7.4024000000e-02  4.0622300000e-01  3.1273200000e-01 -1.4349700000e-01 -1.1814460000e+00 -5.9700400000e-01  4.4450800000e-01 -4.9978900000e-01 -1.2591330000e+00  5.5923100000e-01 -1.7324580000e+00 -6.8253100000e-01  1.2225210000e+00
+ENERGY -1.526586900160e+02
+FORCES -8.1013000000e-03  1.1833000000e-03  4.8329000000e-03 -1.5360000000e-03 -2.2981000000e-03 -1.6848000000e-03  9.3725000000e-03 -3.6569000000e-03 -1.8257000000e-03 -1.0518000000e-03 -2.6420000000e-03  3.3379000000e-03 -1.5736000000e-03  8.1680000000e-03 -9.7460000000e-04  2.8901000000e-03 -7.5430000000e-04 -3.6856000000e-03
+
+JOB 14
+COORDS  1.3548190000e+00 -1.6032700000e-01  4.5135700000e-01  1.6552980000e+00 -8.7204500000e-01 -1.1379900000e-01  1.4334400000e+00  6.2531800000e-01 -8.9765000000e-02 -1.3836360000e+00  1.6644200000e-01 -4.6425700000e-01 -2.0514190000e+00 -5.8426000000e-02  1.8361100000e-01 -5.7289000000e-01  2.3357300000e-01  4.0139000000e-02
+ENERGY -1.526595134883e+02
+FORCES  2.9378000000e-03 -2.4278000000e-03 -5.9657000000e-03 -6.1340000000e-04  3.9378000000e-03  2.9806000000e-03 -4.9212000000e-03 -4.5950000000e-03  3.4087000000e-03  6.2903000000e-03 -2.8100000000e-03  6.9927000000e-03  2.5978000000e-03  4.9960000000e-04 -1.9146000000e-03 -6.2914000000e-03  5.3954000000e-03 -5.5018000000e-03
+
+JOB 15
+COORDS -1.0492850000e+00  7.0830300000e-01  7.9121600000e-01 -1.0195520000e+00  1.6334740000e+00  5.4748100000e-01 -1.4489800000e-01  4.0756600000e-01  7.0248200000e-01  1.0482640000e+00 -7.0483700000e-01 -7.8073700000e-01  9.7755000000e-01 -1.5911040000e+00 -4.2610700000e-01  1.5051600000e-01 -4.6657200000e-01 -1.0120560000e+00
+ENERGY -1.526594173381e+02
+FORCES  7.1405000000e-03  2.2138000000e-03  1.7780000000e-04 -3.6000000000e-06 -4.1651000000e-03  3.4000000000e-05 -8.3721000000e-03  7.5090000000e-04 -1.1295000000e-03 -5.2887000000e-03 -4.3395000000e-03 -2.3575000000e-03  1.7360000000e-04  4.8706000000e-03 -6.9100000000e-04  6.3503000000e-03  6.6940000000e-04  3.9662000000e-03
+
+JOB 16
+COORDS  1.1956330000e+00  3.4676000000e-01 -8.8735600000e-01  3.0547100000e-01  2.7350000000e-02 -7.3963800000e-01  1.3786000000e+00  9.0540200000e-01 -1.3192700000e-01 -1.1197720000e+00 -3.1731600000e-01  7.9508200000e-01 -1.7716170000e+00 -9.5061700000e-01  4.9465100000e-01 -1.1056930000e+00 -4.2047100000e-01  1.7466030000e+00
+ENERGY -1.526588783442e+02
+FORCES -7.9270000000e-03 -2.2960000000e-04  8.6807000000e-03  3.7413000000e-03  1.6200000000e-04 -6.5588000000e-03  1.5468000000e-03 -8.6560000000e-04 -2.4145000000e-03 -2.3000000000e-04 -2.4787000000e-03  3.5915000000e-03  3.8373000000e-03  3.0031000000e-03  8.7920000000e-04 -9.6840000000e-04  4.0880000000e-04 -4.1781000000e-03
+
+JOB 17
+COORDS  7.4027400000e-01 -1.6695800000e-01 -1.2644630000e+00  1.6027980000e+00 -4.8803000000e-01 -1.5275160000e+00  8.2361600000e-01  3.7680000000e-03 -3.2630600000e-01 -7.5907400000e-01  1.2263400000e-01  1.2187010000e+00 -6.8561100000e-01  6.5059600000e-01  2.0137420000e+00 -1.3991240000e+00  5.8779700000e-01  6.8000600000e-01
+ENERGY -1.526597602567e+02
+FORCES  4.3100000000e-04 -1.0016000000e-03  6.4220000000e-03 -2.9106000000e-03  1.1962000000e-03  2.1731000000e-03  4.2156000000e-03  4.9860000000e-04 -8.2314000000e-03 -5.4694000000e-03  3.0576000000e-03 -2.0430000000e-04  3.6420000000e-04 -2.2451000000e-03 -4.1361000000e-03  3.3692000000e-03 -1.5057000000e-03  3.9766000000e-03
+
+JOB 18
+COORDS -2.1503000000e-02 -1.4089380000e+00 -2.0669400000e-01  5.2118200000e-01 -1.4614680000e+00 -9.9343700000e-01  2.2756500000e-01 -2.1763650000e+00  3.0833300000e-01  1.7153000000e-02  1.4850280000e+00  1.8740300000e-01 -2.6838200000e-01  1.7370500000e+00  1.0655750000e+00 -5.4516800000e-01  7.4608300000e-01 -4.4952000000e-02
+ENERGY -1.526577207850e+02
+FORCES  5.2431000000e-03 -9.3180000000e-04  3.3510000000e-04 -3.1468000000e-03 -3.9810000000e-04  3.2807000000e-03 -5.6600000000e-04  2.8579000000e-03 -2.5250000000e-03 -2.5942000000e-03 -8.3168000000e-03  2.6545000000e-03  1.0157000000e-03 -8.3430000000e-04 -2.7210000000e-03  4.8200000000e-05  7.6232000000e-03 -1.0243000000e-03
+
+JOB 19
+COORDS -2.2810900000e-01 -1.3849820000e+00 -2.7753000000e-01 -2.3492700000e-01 -2.3418110000e+00 -3.0330100000e-01 -3.9356700000e-01 -1.1193580000e+00 -1.1821290000e+00  2.2506200000e-01  1.4507980000e+00  2.6599400000e-01 -1.9259700000e-01  6.6829200000e-01  6.2582300000e-01  8.3174200000e-01  1.7349400000e+00  9.4968600000e-01
+ENERGY -1.526591926677e+02
+FORCES  4.5570000000e-04 -1.4477000000e-03 -4.7542000000e-03  5.3270000000e-04  4.1313000000e-03 -6.7710000000e-04 -3.4090000000e-04 -2.7586000000e-03  4.4045000000e-03  9.6930000000e-04 -6.6141000000e-03  3.5246000000e-03  5.2760000000e-04  7.7911000000e-03 -4.3030000000e-04 -2.1444000000e-03 -1.1019000000e-03 -2.0676000000e-03
+
+JOB 20
+COORDS  3.1235400000e-01  1.1484980000e+00  8.1880000000e-01  9.9646600000e-01  9.0440500000e-01  1.4422100000e+00  7.0308800000e-01  1.8483350000e+00  2.9555500000e-01 -4.1948400000e-01 -1.1803620000e+00 -8.6925600000e-01 -3.4785800000e-01 -4.9229600000e-01 -2.0769200000e-01  3.3426300000e-01 -1.7478560000e+00 -7.0786600000e-01
+ENERGY -1.526606364387e+02
+FORCES  4.5301000000e-03  3.3278000000e-03 -7.7090000000e-04 -3.0617000000e-03  4.1880000000e-04 -3.8490000000e-03 -1.1664000000e-03 -3.2205000000e-03  3.5090000000e-03  4.0396000000e-03  6.1552000000e-03  6.4360000000e-03 -2.3104000000e-03 -8.5320000000e-03 -5.0501000000e-03 -2.0312000000e-03  1.8507000000e-03 -2.7510000000e-04
+
+JOB 21
+COORDS -9.1030000000e-03 -8.3036600000e-01  1.2858200000e+00  1.2708900000e-01 -3.1391600000e-01  4.9148800000e-01 -9.2061600000e-01 -1.1175590000e+00  1.2320060000e+00  3.0047000000e-02  7.6866200000e-01 -1.1998890000e+00  1.5542000000e-02  1.7031900000e+00 -9.9330100000e-01  4.4826100000e-01  7.1936600000e-01 -2.0594810000e+00
+ENERGY -1.526617555286e+02
+FORCES -2.4772000000e-03  3.3686000000e-03 -8.8618000000e-03 -6.7300000000e-05 -3.5448000000e-03  9.0153000000e-03  2.6041000000e-03  7.2480000000e-04  6.7600000000e-04  1.8982000000e-03  2.6712000000e-03 -3.2203000000e-03  3.6930000000e-04 -4.8388000000e-03 -1.2891000000e-03 -2.3271000000e-03  1.6190000000e-03  3.6800000000e-03
+
+JOB 22
+COORDS  1.0976090000e+00 -1.4258700000e-01  8.9955100000e-01  1.5781830000e+00 -8.8972300000e-01  5.4308300000e-01  1.4831470000e+00  4.6100000000e-04  1.7639170000e+00 -1.1341760000e+00  2.2377000000e-01 -9.8707100000e-01 -5.4688300000e-01 -1.2607600000e-01 -3.1705000000e-01 -1.9982000000e+00 -1.1140200000e-01 -7.4758400000e-01
+ENERGY -1.526597097472e+02
+FORCES  3.7882000000e-03  2.1160000000e-04  3.1806000000e-03 -3.8810000000e-03  3.4379000000e-03  1.7606000000e-03 -4.4440000000e-04 -1.4773000000e-03 -4.1115000000e-03  3.0456000000e-03 -1.2121000000e-03  7.0228000000e-03 -5.7086000000e-03 -1.9315000000e-03 -7.5593000000e-03  3.2002000000e-03  9.7140000000e-04 -2.9320000000e-04
+
+JOB 23
+COORDS -3.9964800000e-01 -1.4861010000e+00  6.6781000000e-02  1.7727100000e-01 -1.7217190000e+00  7.9333500000e-01 -4.2348600000e-01 -5.2928700000e-01  7.9827000000e-02  3.5567400000e-01  1.3702690000e+00 -9.3515000000e-02 -2.4349500000e-01  2.0779710000e+00 -3.3097300000e-01  1.2154310000e+00  1.7886410000e+00 -4.8628000000e-02
+ENERGY -1.526601054051e+02
+FORCES  4.4251000000e-03  8.5891000000e-03  2.0409000000e-03 -1.5198000000e-03  4.1200000000e-05 -2.2109000000e-03 -4.5629000000e-03 -7.5094000000e-03  4.4940000000e-04  2.9622000000e-03  2.8161000000e-03 -1.2993000000e-03  3.0005000000e-03 -3.4815000000e-03  1.1751000000e-03 -4.3052000000e-03 -4.5560000000e-04 -1.5520000000e-04
+
+JOB 24
+COORDS -1.0302820000e+00 -5.9759000000e-02  1.1446860000e+00 -5.3678600000e-01 -8.7362400000e-01  1.0431080000e+00 -3.7400700000e-01  5.8856100000e-01  1.4000580000e+00  1.0224280000e+00  4.6568000000e-02 -1.1402260000e+00  8.0943900000e-01  7.6035200000e-01 -1.7413750000e+00  1.7330400000e-01 -2.6370900000e-01 -8.2566400000e-01
+ENERGY -1.526572421384e+02
+FORCES  6.6335000000e-03  5.9170000000e-04  3.8514000000e-03 -2.5822000000e-03  4.4150000000e-03 -4.1702000000e-03 -4.2694000000e-03 -2.7805000000e-03 -1.1100000000e-03 -7.3849000000e-03  2.5567000000e-03 -6.7050000000e-04  1.2254000000e-03 -2.5015000000e-03  2.4830000000e-03  6.3777000000e-03 -2.2814000000e-03 -3.8380000000e-04
+
+JOB 25
+COORDS  1.1656590000e+00 -6.3488800000e-01  5.6989500000e-01  1.9949420000e+00 -6.6418600000e-01  9.2754000000e-02  1.2750500000e+00 -1.2670450000e+00  1.2802780000e+00 -1.2794470000e+00  6.5330000000e-01 -6.0520000000e-01 -5.8892300000e-01  2.0513900000e-01 -1.1677400000e-01 -9.1496300000e-01  1.5170800000e+00 -7.9824400000e-01
+ENERGY -1.526612775780e+02
+FORCES  3.6600000000e-03 -2.8486000000e-03  9.4100000000e-05 -3.1563000000e-03 -1.8470000000e-04  3.1393000000e-03  4.3520000000e-04  2.7481000000e-03 -3.5771000000e-03  8.2235000000e-03 -1.1453000000e-03  3.4469000000e-03 -8.0563000000e-03  3.9637000000e-03 -3.1998000000e-03 -1.1060000000e-03 -2.5332000000e-03  9.6500000000e-05
+
+JOB 26
+COORDS -5.1942500000e-01  5.9619400000e-01  1.1989670000e+00 -1.1834570000e+00  1.2846790000e+00  1.2347730000e+00 -1.0514000000e-01  6.1724800000e-01  2.0616120000e+00  5.5377600000e-01 -6.5152100000e-01 -1.3203500000e+00  1.0219790000e+00 -8.9240700000e-01 -5.2098000000e-01 -2.5128200000e-01 -2.3625500000e-01 -1.0110480000e+00
+ENERGY -1.526577451270e+02
+FORCES  1.1850000000e-04  2.8287000000e-03  3.5397000000e-03  2.9623000000e-03 -3.4322000000e-03 -6.5780000000e-04 -1.8008000000e-03 -4.7700000000e-05 -3.8572000000e-03 -2.9498000000e-03  3.4064000000e-03  1.0131800000e-02  1.0897000000e-03 -1.2556000000e-03 -3.4785000000e-03  5.8010000000e-04 -1.4996000000e-03 -5.6781000000e-03
+
+JOB 27
+COORDS -8.9771400000e-01 -3.6045800000e-01 -1.2338270000e+00 -4.3732100000e-01 -8.0908000000e-02 -4.4254900000e-01 -2.0953000000e-01 -7.0558600000e-01 -1.8026170000e+00  7.9579100000e-01  3.5598600000e-01  1.1666200000e+00  1.1040990000e+00 -2.8719000000e-01  1.8049790000e+00  1.1555540000e+00  1.1887560000e+00  1.4720650000e+00
+ENERGY -1.526615714408e+02
+FORCES  7.0105000000e-03  1.3634000000e-03  5.0500000000e-03 -5.5302000000e-03 -2.4091000000e-03 -7.3822000000e-03 -2.2754000000e-03  7.6070000000e-04  1.4256000000e-03  2.3519000000e-03  9.9660000000e-04  4.0005000000e-03 -6.3650000000e-04  3.6865000000e-03 -2.6004000000e-03 -9.2030000000e-04 -4.3980000000e-03 -4.9350000000e-04
+
+JOB 28
+COORDS  8.4855800000e-01 -1.5124500000e-01 -1.2355700000e+00  1.3380750000e+00 -2.8639000000e-01 -4.2418800000e-01  1.3788160000e+00  4.6959000000e-01 -1.7351920000e+00 -8.9376800000e-01  9.8870000000e-02  1.2789000000e+00 -8.5564400000e-01 -3.8440800000e-01  4.5353900000e-01 -1.2009980000e+00  9.7122300000e-01  1.0322370000e+00
+ENERGY -1.526587045164e+02
+FORCES  4.8249000000e-03  2.8526000000e-03  1.9929000000e-03 -2.7986000000e-03 -2.6940000000e-04 -4.8432000000e-03 -1.8451000000e-03 -2.3637000000e-03  2.5252000000e-03 -9.3780000000e-04  2.4254000000e-03 -8.2245000000e-03  2.6400000000e-05  5.2000000000e-06  6.4187000000e-03  7.3010000000e-04 -2.6501000000e-03  2.1307000000e-03
+
+JOB 29
+COORDS  1.4575000000e-01  1.1560580000e+00 -1.0778740000e+00 -5.8172900000e-01  7.3520600000e-01 -1.5360110000e+00  3.3696000000e-02  8.9923300000e-01 -1.6260500000e-01 -1.0667600000e-01 -1.0601710000e+00  1.0229390000e+00  7.1359500000e-01 -1.4965620000e+00  1.2530480000e+00 -7.8987900000e-01 -1.6475820000e+00  1.3460720000e+00
+ENERGY -1.526591675362e+02
+FORCES -3.7879000000e-03 -7.2074000000e-03  4.8142000000e-03  1.9553000000e-03  2.3352000000e-03  1.8210000000e-04  1.3514000000e-03  5.8280000000e-03 -4.5238000000e-03  1.4306000000e-03 -4.6894000000e-03  1.6282000000e-03 -4.2122000000e-03  1.5598000000e-03 -3.2680000000e-04  3.2629000000e-03  2.1738000000e-03 -1.7739000000e-03
+
+JOB 30
+COORDS -5.7502600000e-01 -7.2437100000e-01  1.2833670000e+00  1.9024400000e-01 -8.9961100000e-01  1.8309840000e+00 -2.4689200000e-01 -1.5472300000e-01  5.8762200000e-01  4.6299600000e-01  6.9323900000e-01 -1.2713320000e+00  9.1934500000e-01  1.5173990000e+00 -1.1018120000e+00  1.1476000000e+00  9.8405000000e-02 -1.5774720000e+00
+ENERGY -1.526603094301e+02
+FORCES  4.2993000000e-03  3.7624000000e-03 -4.9730000000e-03 -2.1447000000e-03  7.3070000000e-04 -2.3148000000e-03 -2.0940000000e-03 -4.5815000000e-03  9.2393000000e-03  4.9878000000e-03  1.5507000000e-03 -4.6157000000e-03 -2.0141000000e-03 -4.7995000000e-03  1.4750000000e-04 -3.0343000000e-03  3.3372000000e-03  2.5168000000e-03
+
+JOB 31
+COORDS  2.1252700000e-01  1.0247740000e+00  1.1385470000e+00  1.1607080000e+00  9.3634400000e-01  1.2353150000e+00 -1.5071100000e-01  3.3357800000e-01  1.6922050000e+00 -2.0754300000e-01 -1.0144510000e+00 -1.2089890000e+00  2.9553000000e-02 -2.8830000000e-01 -6.3216800000e-01 -1.1627390000e+00 -9.7874600000e-01 -1.2595600000e+00
+ENERGY -1.526601633085e+02
+FORCES  2.7964000000e-03 -1.0960000000e-03  6.7104000000e-03 -5.2256000000e-03 -4.4720000000e-04 -1.6826000000e-03  1.6533000000e-03  3.1204000000e-03 -4.3000000000e-03 -2.5194000000e-03  7.0536000000e-03  3.8659000000e-03  1.7090000000e-04 -7.8639000000e-03 -5.1430000000e-03  3.1245000000e-03 -7.6680000000e-04  5.4930000000e-04
+
+JOB 32
+COORDS -8.5164500000e-01 -6.9648600000e-01 -1.1832750000e+00 -1.3650830000e+00 -1.2497630000e+00 -5.9463500000e-01 -3.7398200000e-01 -1.0539900000e-01 -6.0130700000e-01  8.2295400000e-01  7.4465400000e-01  1.0750120000e+00  1.5226940000e+00  1.3433300000e-01  8.4241100000e-01  5.8970200000e-01  5.1118100000e-01  1.9735200000e+00
+ENERGY -1.526598723364e+02
+FORCES  7.3370000000e-04  3.2846000000e-03  7.4356000000e-03  1.7883000000e-03  1.3219000000e-03 -2.0278000000e-03 -2.3110000000e-03 -5.8030000000e-03 -6.9205000000e-03  3.7895000000e-03 -2.0000000000e-03  5.5682000000e-03 -5.2329000000e-03  2.6131000000e-03  3.6530000000e-04  1.2325000000e-03  5.8340000000e-04 -4.4207000000e-03
+
+JOB 33
+COORDS -3.5713900000e-01  1.1037490000e+00  9.9381500000e-01  6.2227000000e-02  9.5199200000e-01  1.8407710000e+00 -2.7430000000e-03  1.9420350000e+00  6.9731600000e-01  3.3866200000e-01 -1.1683750000e+00 -9.8148100000e-01 -2.9192500000e-01 -4.4824600000e-01 -9.8388200000e-01  4.3239500000e-01 -1.4083640000e+00 -1.9033550000e+00
+ENERGY -1.526570200079e+02
+FORCES  5.1027000000e-03  1.0129000000e-03  3.9349000000e-03 -2.1237000000e-03  2.0856000000e-03 -2.8847000000e-03 -1.8612000000e-03 -3.7006000000e-03  4.8930000000e-04 -3.3809000000e-03  3.6856000000e-03 -5.1340000000e-04  2.5816000000e-03 -4.8949000000e-03 -4.7665000000e-03 -3.1840000000e-04  1.8114000000e-03  3.7404000000e-03
+
+JOB 34
+COORDS -1.2383430000e+00  4.2146900000e-01  9.6279100000e-01 -4.6091300000e-01  9.7973600000e-01  9.7591300000e-01 -9.0648200000e-01 -4.4678100000e-01  7.3422400000e-01  1.1360530000e+00 -4.4387500000e-01 -9.2907100000e-01  1.6585770000e+00  1.9083300000e-01 -4.3881800000e-01  1.4749830000e+00 -3.9443000000e-01 -1.8228910000e+00
+ENERGY -1.526556723733e+02
+FORCES  6.3516000000e-03 -2.8552000000e-03 -4.8499000000e-03 -1.7906000000e-03 -6.9260000000e-04  1.2304000000e-03 -3.2302000000e-03  3.0255000000e-03  4.0003000000e-03  3.4567000000e-03  2.7962000000e-03 -3.5857000000e-03 -3.7649000000e-03 -2.2827000000e-03 -8.8580000000e-04 -1.0226000000e-03  8.8000000000e-06  4.0906000000e-03
+
+JOB 35
+COORDS  1.5793300000e-01 -1.3949570000e+00 -6.9785400000e-01 -5.1438100000e-01 -2.0355120000e+00 -4.6565800000e-01 -2.7627300000e-01 -8.0339600000e-01 -1.3124700000e+00 -1.1398800000e-01  1.4234820000e+00  6.5988600000e-01 -2.4421000000e-02  1.8412440000e+00  1.5164400000e+00  1.1767900000e-01  5.0764200000e-01  8.1415300000e-01
+ENERGY -1.526598347123e+02
+FORCES -4.7414000000e-03 -1.0102000000e-03 -4.8887000000e-03  2.9694000000e-03  3.2517000000e-03 -3.8880000000e-04  2.0463000000e-03 -3.8151000000e-03  3.4620000000e-03  2.4190000000e-03 -3.8845000000e-03  2.7772000000e-03 -2.6640000000e-04 -2.3936000000e-03 -2.9219000000e-03 -2.4269000000e-03  7.8518000000e-03  1.9602000000e-03
+
+JOB 36
+COORDS  1.2631740000e+00 -1.0312420000e+00 -6.8843000000e-02  8.4229100000e-01 -1.8186100000e-01 -2.0165800000e-01  2.0155790000e+00 -8.4124000000e-01  4.9153000000e-01 -1.2361410000e+00  9.2448600000e-01  3.6902000000e-02 -2.0220960000e+00  1.1833910000e+00 -4.4421800000e-01 -1.1398370000e+00  1.5919360000e+00  7.1621600000e-01
+ENERGY -1.526579659848e+02
+FORCES -2.3145000000e-03  5.1179000000e-03  1.0219000000e-03  7.2351000000e-03 -4.3982000000e-03  7.7780000000e-04 -3.0661000000e-03 -2.2120000000e-04 -1.7357000000e-03 -5.5160000000e-03  3.0754000000e-03  5.3290000000e-04  3.1456000000e-03 -5.7530000000e-04  2.8417000000e-03  5.1580000000e-04 -2.9985000000e-03 -3.4385000000e-03
+
+JOB 37
+COORDS -5.9590400000e-01  1.4542130000e+00  2.4681700000e-01 -1.1613350000e+00  2.2068120000e+00  4.2035500000e-01  1.6390800000e-01  1.5892560000e+00  8.1310300000e-01  6.3095900000e-01 -1.5407940000e+00 -2.8526300000e-01 -2.9831200000e-01 -1.7333840000e+00 -1.6037800000e-01  6.6135200000e-01 -5.9724400000e-01 -4.4344500000e-01
+ENERGY -1.526580672708e+02
+FORCES -7.0420000000e-04  5.2312000000e-03  3.5175000000e-03  2.6334000000e-03 -3.1466000000e-03 -6.5800000000e-05 -3.0336000000e-03 -1.3567000000e-03 -3.8624000000e-03 -6.1537000000e-03  5.1019000000e-03 -5.8960000000e-04  3.6691000000e-03 -1.3201000000e-03 -4.2190000000e-04  3.5891000000e-03 -4.5097000000e-03  1.4222000000e-03
+
+JOB 38
+COORDS  1.1131550000e+00 -1.0304440000e+00 -7.4040400000e-01  6.1669800000e-01 -4.2479900000e-01 -1.8999000000e-01  6.4340300000e-01 -1.0368730000e+00 -1.5743840000e+00 -1.0501680000e+00  1.0141080000e+00  6.9751400000e-01 -1.6499930000e+00  3.5548300000e-01  1.0477340000e+00 -5.6528700000e-01  1.3273150000e+00  1.4610740000e+00
+ENERGY -1.526597662881e+02
+FORCES -5.9739000000e-03  5.3027000000e-03 -6.6800000000e-04  5.8322000000e-03 -6.0777000000e-03 -1.7647000000e-03  1.9018000000e-03 -8.7670000000e-04  2.5456000000e-03 -3.8493000000e-03  1.4964000000e-03  6.1362000000e-03  3.7873000000e-03  2.7988000000e-03 -2.0542000000e-03 -1.6980000000e-03 -2.6434000000e-03 -4.1950000000e-03
+
+JOB 39
+COORDS  2.1869400000e-01  6.0969800000e-01  1.6077210000e+00 -4.1589500000e-01  1.7945400000e-01  1.0346430000e+00 -3.1374400000e-01  1.0265390000e+00  2.2852060000e+00 -9.9950000000e-02 -6.4812300000e-01 -1.6179160000e+00 -8.3911800000e-01 -6.0754100000e-01 -1.0111090000e+00 -2.6120700000e-01  6.0978000000e-02 -2.2403350000e+00
+ENERGY -1.526513778645e+02
+FORCES -3.7592000000e-03 -5.4460000000e-04  2.0020000000e-04  8.9400000000e-05  1.3433000000e-03  1.4881000000e-03  2.3494000000e-03 -1.7511000000e-03 -3.3728000000e-03 -2.9728000000e-03  3.7124000000e-03 -1.6480000000e-03  3.8294000000e-03  7.9280000000e-04  8.0090000000e-04  4.6380000000e-04 -3.5528000000e-03  2.5316000000e-03
+
+JOB 40
+COORDS  6.3416400000e-01  1.0633540000e+00 -1.1359230000e+00  1.3804960000e+00  1.6624830000e+00 -1.1521770000e+00 -7.2582000000e-02  1.5487820000e+00 -1.5614830000e+00 -6.4116800000e-01 -1.0675200000e+00  1.1919130000e+00  1.1195800000e-01 -1.3246570000e+00  6.6001700000e-01 -1.2308800000e+00 -1.8204760000e+00  1.1528110000e+00
+ENERGY -1.526550986879e+02
+FORCES -1.3444000000e-03  5.2854000000e-03 -1.1116000000e-03 -2.9755000000e-03 -2.7244000000e-03  8.8000000000e-05  3.4380000000e-03 -1.6811000000e-03  9.3440000000e-04  2.1370000000e-03 -2.6713000000e-03 -3.8226000000e-03 -3.3166000000e-03 -1.4246000000e-03  3.9746000000e-03  2.0615000000e-03  3.2161000000e-03 -6.2800000000e-05
+
+JOB 41
+COORDS -1.4904380000e+00  6.0886100000e-01  4.9873900000e-01 -2.1598300000e+00  1.1793110000e+00  1.2093800000e-01 -1.2849570000e+00  1.0073800000e+00  1.3444300000e+00  1.5665400000e+00 -7.0253900000e-01 -5.5930500000e-01  1.7040250000e+00 -2.9212700000e-01  2.9444700000e-01  6.5699100000e-01 -5.0073100000e-01 -7.7891200000e-01
+ENERGY -1.526578611493e+02
+FORCES -3.7209000000e-03  4.5974000000e-03  2.7369000000e-03  2.9844000000e-03 -2.4570000000e-03  1.8534000000e-03 -4.0380000000e-04 -1.6889000000e-03 -3.8598000000e-03 -5.7986000000e-03  3.1320000000e-03  3.1862000000e-03  8.0370000000e-04 -1.4927000000e-03 -2.5141000000e-03  6.1353000000e-03 -2.0907000000e-03 -1.4026000000e-03
+
+JOB 42
+COORDS  1.2893400000e-01  3.4881400000e-01  1.7392970000e+00  6.6533000000e-01 -1.4297500000e-01  1.1174810000e+00 -5.5932400000e-01 -2.6350600000e-01  1.9992910000e+00 -1.6594600000e-01 -2.3264500000e-01 -1.7317740000e+00 -3.4094200000e-01 -1.1269440000e+00 -1.4387920000e+00  7.8714700000e-01 -1.8718400000e-01 -1.8077930000e+00
+ENERGY -1.526526032842e+02
+FORCES -1.8702000000e-03 -3.7037000000e-03 -3.6815000000e-03 -6.2880000000e-04  7.6460000000e-04  3.4414000000e-03  2.9977000000e-03  2.0489000000e-03 -7.4360000000e-04  2.3847000000e-03 -2.5634000000e-03 -6.9430000000e-04  1.2644000000e-03  4.0630000000e-03  6.9100000000e-05 -4.1479000000e-03 -6.0950000000e-04  1.6089000000e-03
+
+JOB 43
+COORDS -8.1395300000e-01  1.1461520000e+00  1.1449120000e+00 -6.3488000000e-02  1.7143340000e+00  1.3186970000e+00 -5.6400300000e-01  6.5015700000e-01  3.6533200000e-01  7.4404900000e-01 -1.0874220000e+00 -1.0902570000e+00  6.7061400000e-01 -1.5070850000e+00 -1.9474160000e+00  9.6325300000e-01 -1.8013410000e+00 -4.9150700000e-01
+ENERGY -1.526592062991e+02
+FORCES  4.6861000000e-03 -7.4110000000e-04 -4.2816000000e-03 -2.8195000000e-03 -1.8367000000e-03 -9.1300000000e-05 -3.0001000000e-03  4.2082000000e-03  5.8485000000e-03  1.3945000000e-03 -6.1807000000e-03 -2.3766000000e-03  6.8540000000e-04  1.3271000000e-03  3.8635000000e-03 -9.4640000000e-04  3.2232000000e-03 -2.9626000000e-03
+
+JOB 44
+COORDS  3.5914200000e-01 -2.6906800000e-01  1.6702650000e+00  4.9140100000e-01 -4.1288600000e-01  2.6073110000e+00 -5.8574700000e-01 -3.5694500000e-01  1.5449940000e+00 -3.6402200000e-01  2.3211500000e-01 -1.7380000000e+00  7.7647000000e-02  3.3869500000e-01 -8.9550300000e-01 -3.9578000000e-02  9.5692000000e-01 -2.2724390000e+00
+ENERGY -1.526578713127e+02
+FORCES -2.7814000000e-03 -2.0076000000e-03  5.5285000000e-03 -1.1204000000e-03  4.2130000000e-04 -3.6561000000e-03  5.0247000000e-03  1.2011000000e-03 -1.1180000000e-04  4.5684000000e-03  3.1102000000e-03  1.7849000000e-03 -4.4165000000e-03  3.7000000000e-05 -5.4269000000e-03 -1.2748000000e-03 -2.7620000000e-03  1.8814000000e-03
+
+JOB 45
+COORDS  6.6300000000e-01 -1.3756910000e+00 -7.8574800000e-01  1.3965570000e+00 -1.9456750000e+00 -1.0164940000e+00 -9.3838000000e-02 -1.7719010000e+00 -1.2175400000e+00 -6.5967900000e-01  1.4625600000e+00  8.6560400000e-01  1.3398800000e-01  1.1047930000e+00  4.6770100000e-01 -1.3754850000e+00  1.0862710000e+00  3.5349200000e-01
+ENERGY -1.526572613099e+02
+FORCES  5.5540000000e-04 -5.5651000000e-03 -2.8315000000e-03 -3.3644000000e-03  2.2421000000e-03  7.9310000000e-04  3.0557000000e-03  2.1039000000e-03  1.7926000000e-03  1.6981000000e-03 -5.1417000000e-03 -4.3800000000e-03 -3.4409000000e-03  4.4973000000e-03  2.6921000000e-03  1.4962000000e-03  1.8636000000e-03  1.9337000000e-03
+
+JOB 46
+COORDS  1.5230950000e+00  9.7052500000e-01 -3.5771500000e-01  7.6249400000e-01  1.3355980000e+00 -8.0986600000e-01  1.1784590000e+00  2.1720700000e-01  1.2183700000e-01 -1.4130020000e+00 -9.7684900000e-01  3.9576100000e-01 -1.6330510000e+00 -1.2081000000e+00 -5.0664300000e-01 -1.9944280000e+00 -2.4575500000e-01  6.0475000000e-01
+ENERGY -1.526572925977e+02
+FORCES -5.8234000000e-03 -3.0998000000e-03  1.1104000000e-03  2.8708000000e-03 -4.7510000000e-04  9.7270000000e-04  4.1319000000e-03  4.2700000000e-03 -2.4075000000e-03 -5.8578000000e-03  4.2250000000e-04 -2.1793000000e-03  1.4808000000e-03  1.7888000000e-03  4.0007000000e-03  3.1978000000e-03 -2.9063000000e-03 -1.4970000000e-03
+
+JOB 47
+COORDS -1.0981640000e+00 -4.8118700000e-01 -1.3444400000e+00 -1.2271440000e+00  4.5787900000e-01 -1.2112010000e+00 -1.7915000000e+00 -8.9408200000e-01 -8.2962500000e-01  1.2164510000e+00  4.5855700000e-01  1.3000900000e+00  6.0084800000e-01  9.8832700000e-01  1.8066560000e+00  6.7506600000e-01 -2.2246600000e-01  9.0091400000e-01
+ENERGY -1.526558540972e+02
+FORCES -4.6942000000e-03  2.8440000000e-03 -5.0500000000e-04  3.3020000000e-04 -4.7427000000e-03  3.7220000000e-04  4.1316000000e-03  2.0335000000e-03 -1.1415000000e-03 -4.3662000000e-03 -1.8396000000e-03 -7.9030000000e-04  1.9954000000e-03 -1.8963000000e-03 -2.4388000000e-03  2.6032000000e-03  3.6011000000e-03  4.5034000000e-03
+
+JOB 48
+COORDS -1.1623730000e+00  3.2279800000e-01  1.4319500000e+00 -1.3138910000e+00  5.2778000000e-02  5.2621100000e-01 -5.2543400000e-01 -3.0822200000e-01  1.7671420000e+00  1.0923560000e+00 -2.4327200000e-01 -1.3446160000e+00  1.4175190000e+00 -1.1288820000e+00 -1.5064630000e+00  1.4021490000e+00  2.6664900000e-01 -2.0931080000e+00
+ENERGY -1.526561886176e+02
+FORCES  4.1622000000e-03 -3.2874000000e-03 -4.4295000000e-03 -1.9636000000e-03  7.8670000000e-04  4.8270000000e-03 -3.0399000000e-03  1.8465000000e-03  2.4200000000e-05  3.8707000000e-03 -4.5690000000e-04 -4.5719000000e-03 -1.7963000000e-03  3.6967000000e-03  1.1539000000e-03 -1.2331000000e-03 -2.5855000000e-03  2.9962000000e-03
+
+JOB 49
+COORDS  1.6093200000e-01  1.0490210000e+00  1.5340440000e+00 -4.3216200000e-01  1.7964210000e+00  1.4574680000e+00  1.5354500000e-01  6.4681500000e-01  6.6547700000e-01 -7.3824000000e-02 -1.1080610000e+00 -1.4517220000e+00 -2.5428000000e-02 -2.5957400000e-01 -1.8921300000e+00 -1.0055780000e+00 -1.3272770000e+00 -1.4548520000e+00
+ENERGY -1.526559485771e+02
+FORCES -1.8211000000e-03 -4.1440000000e-04 -4.0621000000e-03  2.2047000000e-03 -3.0787000000e-03 -1.7490000000e-04 -4.1170000000e-04  5.2500000000e-03  4.5010000000e-03 -4.0177000000e-03 -4.6370000000e-04 -4.6305000000e-03 -3.3900000000e-04 -2.9591000000e-03  4.2614000000e-03  4.3849000000e-03  1.6660000000e-03  1.0510000000e-04
+
+JOB 50
+COORDS  1.0156990000e+00  1.5314820000e+00  1.2593900000e-01  1.8765900000e+00  1.9265770000e+00 -1.1895000000e-02  4.4951100000e-01  2.2662010000e+00  3.6226700000e-01 -1.0287210000e+00 -1.6347480000e+00 -7.7093000000e-02 -1.0254690000e+00 -7.0033600000e-01 -2.8468500000e-01 -1.1761870000e+00 -2.0669670000e+00 -9.1832600000e-01
+ENERGY -1.526555087294e+02
+FORCES  3.1030000000e-03  4.8665000000e-03  1.0768000000e-03 -3.7456000000e-03 -1.2113000000e-03  6.3040000000e-04  1.8229000000e-03 -3.6180000000e-03 -1.4723000000e-03  1.1132000000e-03  3.3145000000e-03 -4.0804000000e-03 -2.7366000000e-03 -4.8269000000e-03  6.0820000000e-04  4.4320000000e-04  1.4751000000e-03  3.2373000000e-03
+
+JOB 51
+COORDS  1.0601800000e+00  1.9152000000e-01  1.6580120000e+00  1.3895020000e+00 -7.0528500000e-01  1.5986760000e+00  5.9153900000e-01  3.3003300000e-01  8.3495600000e-01 -1.0741180000e+00 -8.9161000000e-02 -1.5675800000e+00 -1.3008050000e+00 -1.0091290000e+00 -1.4315510000e+00 -4.5976000000e-01 -9.9369000000e-02 -2.3015360000e+00
+ENERGY -1.526569022021e+02
+FORCES -1.7366000000e-03 -2.3905000000e-03 -4.4867000000e-03 -1.1744000000e-03  3.1858000000e-03  2.3790000000e-04  4.0988000000e-03 -8.5750000000e-04  5.4401000000e-03 -6.6020000000e-04 -3.9655000000e-03 -4.9432000000e-03  1.8288000000e-03  4.1571000000e-03 -1.5390000000e-04 -2.3563000000e-03 -1.2940000000e-04  3.9057000000e-03
+
+JOB 52
+COORDS  1.6407090000e+00  9.3259400000e-01  4.9974100000e-01  2.2369220000e+00  1.8686200000e-01  4.3157700000e-01  1.2266410000e+00  9.8830600000e-01 -3.6146600000e-01 -1.6991360000e+00 -8.4839200000e-01 -4.8268000000e-01 -1.1637210000e+00 -6.6627400000e-01  2.8958700000e-01 -1.4881160000e+00 -1.7531690000e+00 -7.1307000000e-01
+ENERGY -1.526562742617e+02
+FORCES  2.0144000000e-03 -1.3451000000e-03 -4.7659000000e-03 -3.0457000000e-03  2.7100000000e-03  5.3010000000e-04  2.1071000000e-03 -6.7390000000e-04  4.6273000000e-03  2.1685000000e-03 -3.0550000000e-03  3.4404000000e-03 -2.7732000000e-03 -1.4663000000e-03 -4.5702000000e-03 -4.7110000000e-04  3.8302000000e-03  7.3820000000e-04
+
+JOB 53
+COORDS  1.8116750000e+00 -3.5647500000e-01 -3.5998200000e-01  2.1686760000e+00  2.5449600000e-01  2.8460800000e-01  2.4605460000e+00 -1.0583670000e+00 -4.1044400000e-01 -1.9344940000e+00  3.6446100000e-01  3.5503600000e-01 -1.4506440000e+00 -3.9258900000e-01  2.4890000000e-02 -1.3297420000e+00  1.0992600000e+00  2.5218700000e-01
+ENERGY -1.526566601689e+02
+FORCES  5.5729000000e-03 -8.2400000000e-04  2.2962000000e-03 -1.9191000000e-03 -2.3678000000e-03 -2.8685000000e-03 -2.6607000000e-03  3.0556000000e-03  3.2870000000e-04  5.9388000000e-03 -7.0130000000e-04 -2.6251000000e-03 -3.9728000000e-03  2.6557000000e-03  1.7247000000e-03 -2.9591000000e-03 -1.8181000000e-03  1.1440000000e-03
+
+JOB 54
+COORDS  3.3140600000e-01  9.9155600000e-01 -1.6606110000e+00  9.8505400000e-01  6.8947100000e-01 -1.0299610000e+00  3.4456000000e-02  1.8329530000e+00 -1.3140510000e+00 -3.5658500000e-01 -9.9470500000e-01  1.6747410000e+00 -5.3508800000e-01 -4.8100500000e-01  8.8703500000e-01 -7.3107000000e-02 -1.8477480000e+00  1.3458170000e+00
+ENERGY -1.526558539843e+02
+FORCES  3.0817000000e-03  4.1189000000e-03  2.1901000000e-03 -4.4796000000e-03  3.7180000000e-04 -2.3539000000e-03  9.5880000000e-04 -4.2854000000e-03 -1.1806000000e-03 -1.0619000000e-03 -2.2132000000e-03 -4.9141000000e-03  2.1884000000e-03 -1.6730000000e-03  4.7296000000e-03 -6.8750000000e-04  3.6809000000e-03  1.5289000000e-03
+
+JOB 55
+COORDS  8.3699600000e-01  1.4176050000e+00  1.1116660000e+00  1.3792400000e-01  8.0146400000e-01  8.9280900000e-01  4.7248100000e-01  1.9539200000e+00  1.8157450000e+00 -7.5737400000e-01 -1.3697330000e+00 -1.1038260000e+00 -1.4759460000e+00 -1.9555350000e+00 -8.6566200000e-01 -5.0465600000e-01 -1.6457720000e+00 -1.9848300000e+00
+ENERGY -1.526564121181e+02
+FORCES -4.5839000000e-03 -1.4811000000e-03  6.7830000000e-04  3.1310000000e-03  4.3878000000e-03  3.1799000000e-03  1.3399000000e-03 -2.1037000000e-03 -2.6517000000e-03 -1.2358000000e-03 -4.1691000000e-03 -4.0930000000e-03  2.9527000000e-03  2.7207000000e-03 -7.4880000000e-04 -1.6039000000e-03  6.4560000000e-04  3.6354000000e-03
+
+JOB 56
+COORDS  1.0783710000e+00 -1.0314400000e-01 -1.7270810000e+00  7.0407600000e-01 -7.7706700000e-01 -2.2944970000e+00  3.8995100000e-01  5.5779500000e-01 -1.6531200000e+00 -9.6904600000e-01  1.4165400000e-01  1.7813330000e+00 -1.8927960000e+00  1.9185000000e-01  2.0270950000e+00 -9.3973700000e-01 -5.2221200000e-01  1.0923810000e+00
+ENERGY -1.526545298410e+02
+FORCES -3.3209000000e-03  1.1896000000e-03 -2.6921000000e-03  1.1728000000e-03  2.6207000000e-03  2.9935000000e-03  2.5692000000e-03 -3.7309000000e-03 -6.1420000000e-04 -2.8438000000e-03 -3.2262000000e-03 -1.2121000000e-03  3.8486000000e-03 -1.0720000000e-04 -1.3312000000e-03 -1.4259000000e-03  3.2541000000e-03  2.8560000000e-03
+
+JOB 57
+COORDS  2.0011950000e+00 -2.1178200000e-01 -1.6275500000e-01  2.4028440000e+00 -1.7257200000e-01  7.0521500000e-01  2.6271260000e+00 -7.0300200000e-01 -6.9486900000e-01 -2.0777820000e+00  1.7624200000e-01  1.5801600000e-01 -2.1966560000e+00  5.6524300000e-01 -7.0845900000e-01 -1.7226220000e+00  8.8604100000e-01  6.9306700000e-01
+ENERGY -1.526538379943e+02
+FORCES  3.9176000000e-03 -2.7290000000e-03  1.4486000000e-03 -1.6420000000e-03  2.3800000000e-04 -3.5383000000e-03 -2.4766000000e-03  2.1841000000e-03  2.1140000000e-03  2.8267000000e-03  4.2854000000e-03 -1.8738000000e-03 -3.5480000000e-04 -1.4435000000e-03  3.3944000000e-03 -2.2709000000e-03 -2.5351000000e-03 -1.5448000000e-03
+
+JOB 58
+COORDS  1.6715600000e+00  1.2453430000e+00  5.2676700000e-01  7.9308200000e-01  1.4319520000e+00  1.9557800000e-01  2.2344960000e+00  1.2930550000e+00 -2.4592900000e-01 -1.6202710000e+00 -1.2117660000e+00 -5.0101600000e-01 -2.1814330000e+00 -1.0224010000e+00  2.5096100000e-01 -1.6342320000e+00 -2.1658710000e+00 -5.7665200000e-01
+ENERGY -1.526551309724e+02
+FORCES -2.1423000000e-03 -1.2790000000e-04 -5.1452000000e-03  4.0125000000e-03  6.0010000000e-04  1.9882000000e-03 -1.8078000000e-03  8.0400000000e-05  3.1521000000e-03 -2.0346000000e-03 -4.0118000000e-03  3.0971000000e-03  2.2567000000e-03 -4.1110000000e-04 -3.2824000000e-03 -2.8450000000e-04  3.8702000000e-03  1.9030000000e-04
+
+JOB 59
+COORDS -4.6580800000e-01  1.4226920000e+00 -1.4843800000e+00 -7.0756000000e-01  2.2859460000e+00 -1.8199090000e+00 -7.5270000000e-02  9.7438700000e-01 -2.2345370000e+00  4.8215100000e-01 -1.4990320000e+00  1.5485530000e+00 -1.1446000000e-02 -1.1468470000e+00  8.0790500000e-01  5.0048900000e-01 -7.8515000000e-01  2.1859450000e+00
+ENERGY -1.526561641574e+02
+FORCES  5.9150000000e-04  2.6069000000e-03 -5.0413000000e-03  1.0940000000e-03 -3.5880000000e-03  1.1969000000e-03 -1.8230000000e-03  1.6918000000e-03  3.3570000000e-03 -2.2565000000e-03  5.3712000000e-03 -9.8070000000e-04  2.2866000000e-03 -2.9285000000e-03  3.3568000000e-03  1.0730000000e-04 -3.1534000000e-03 -1.8887000000e-03
+
+JOB 60
+COORDS -1.1015890000e+00  8.5192300000e-01  1.6199050000e+00 -1.2133150000e+00  1.5676040000e+00  2.2456440000e+00 -1.7162760000e+00  1.7907700000e-01  1.9126000000e+00  1.0874760000e+00 -8.7128800000e-01 -1.6430360000e+00  1.7048540000e+00 -1.8218700000e-01 -1.3976470000e+00  1.4679600000e+00 -1.2661380000e+00 -2.4276100000e+00
+ENERGY -1.526537434668e+02
+FORCES -3.3035000000e-03 -5.9080000000e-04  3.3822000000e-03  6.7900000000e-04 -2.8346000000e-03 -2.6764000000e-03  2.3448000000e-03  3.0927000000e-03 -7.5070000000e-04  3.8709000000e-03  1.9755000000e-03 -1.4933000000e-03 -1.9106000000e-03 -3.1475000000e-03 -1.6713000000e-03 -1.6805000000e-03  1.5046000000e-03  3.2096000000e-03
+
+JOB 61
+COORDS  1.7680100000e+00  5.9824100000e-01 -1.1319580000e+00  2.5228160000e+00  2.9713300000e-01 -1.6377590000e+00  1.8278070000e+00  1.2093000000e-01 -3.0441300000e-01 -1.8490130000e+00 -5.1507000000e-01  1.1474780000e+00 -2.1372620000e+00 -1.2161850000e+00  5.6302800000e-01 -8.9374600000e-01 -5.3131900000e-01  1.0888810000e+00
+ENERGY -1.526533420312e+02
+FORCES  4.3167000000e-03 -2.5762000000e-03  8.1700000000e-04 -3.3019000000e-03  1.2650000000e-03  2.1651000000e-03 -1.5433000000e-03  1.4421000000e-03 -3.0993000000e-03  2.5418000000e-03 -2.3961000000e-03 -3.5968000000e-03  1.1044000000e-03  2.6221000000e-03  2.7645000000e-03 -3.1177000000e-03 -3.5700000000e-04  9.4950000000e-04
+
+JOB 62
+COORDS -1.4661480000e+00 -1.2650080000e+00  1.0184980000e+00 -1.6184380000e+00 -2.0281950000e+00  4.6119600000e-01 -2.2677960000e+00 -7.4767500000e-01  9.4129800000e-01  1.5454520000e+00  1.3090080000e+00 -9.3878700000e-01  8.8138900000e-01  6.2888500000e-01 -8.2616400000e-01  1.6158070000e+00  1.4210880000e+00 -1.8867960000e+00
+ENERGY -1.526552317732e+02
+FORCES -4.9493000000e-03 -1.6926000000e-03 -1.1312000000e-03  9.6550000000e-04  3.6382000000e-03  1.9258000000e-03  3.6360000000e-03 -2.2347000000e-03 -9.8400000000e-05 -2.6652000000e-03 -2.8364000000e-03 -2.4516000000e-03  3.3950000000e-03  3.5955000000e-03 -1.9509000000e-03 -3.8200000000e-04 -4.7000000000e-04  3.7063000000e-03
+
+JOB 63
+COORDS  8.4977000000e-01 -1.5549540000e+00 -1.3524200000e+00  1.7994700000e-01 -1.2157210000e+00 -1.9461290000e+00  3.7252400000e-01 -2.1334820000e+00 -7.5763200000e-01 -7.4143900000e-01  1.5516640000e+00  1.3100560000e+00 -7.0121900000e-01  1.3766130000e+00  2.2502530000e+00 -1.5594220000e+00  2.0342180000e+00  1.1905660000e+00
+ENERGY -1.526536916320e+02
+FORCES -5.1082000000e-03  3.3880000000e-04  8.7250000000e-04  2.7203000000e-03 -1.9156000000e-03  1.7275000000e-03  2.0625000000e-03  1.6117000000e-03 -2.5884000000e-03 -2.6396000000e-03  1.5665000000e-03  3.6589000000e-03 -3.6560000000e-04  6.2100000000e-04 -3.9175000000e-03  3.3306000000e-03 -2.2224000000e-03  2.4700000000e-04
+
+JOB 64
+COORDS -1.3722900000e-01  1.2114510000e+00 -1.9698290000e+00  6.1216600000e-01  7.4021100000e-01 -1.6057240000e+00 -7.9923800000e-01  1.1797720000e+00 -1.2791980000e+00  6.7904000000e-02 -1.1838470000e+00  1.9027110000e+00  6.6420200000e-01 -4.3523300000e-01  1.9180830000e+00  6.2066000000e-01 -1.9353910000e+00  2.1168920000e+00
+ENERGY -1.526547081541e+02
+FORCES -3.1470000000e-04 -2.9283000000e-03  4.3726000000e-03 -2.4212000000e-03  2.4613000000e-03 -1.4339000000e-03  2.9683000000e-03  9.1320000000e-04 -3.0258000000e-03  4.7054000000e-03 -8.5720000000e-04  2.1665000000e-03 -2.7107000000e-03 -2.9239000000e-03 -1.1051000000e-03 -2.2271000000e-03  3.3350000000e-03 -9.7420000000e-04
+
+JOB 65
+COORDS  6.7824700000e-01  2.1261850000e+00 -3.6209900000e-01  1.5490790000e+00  2.1318980000e+00 -7.5940300000e-01  8.2066000000e-02  1.9631430000e+00 -1.0930000000e+00 -7.0272300000e-01 -2.0783420000e+00  3.7940300000e-01 -5.3879200000e-01 -1.7820990000e+00  1.2747230000e+00 -7.7549900000e-01 -3.0300780000e+00  4.5106400000e-01
+ENERGY -1.526547388110e+02
+FORCES  8.1020000000e-04 -1.5031000000e-03 -4.9125000000e-03 -3.3576000000e-03  2.4990000000e-04  1.6745000000e-03  2.5617000000e-03  1.4574000000e-03  2.8493000000e-03  5.5310000000e-04 -2.1124000000e-03  4.3618000000e-03 -9.0810000000e-04 -1.9510000000e-03 -3.5876000000e-03  3.4070000000e-04  3.8592000000e-03 -3.8540000000e-04
+
+JOB 66
+COORDS -1.8563000000e+00  1.3947200000e+00  5.8996900000e-01 -1.6882760000e+00  1.9018550000e+00 -2.0426900000e-01 -2.7300260000e+00  1.0263240000e+00  4.5913000000e-01  1.8654610000e+00 -1.3679530000e+00 -5.9803400000e-01  2.4954040000e+00 -2.0882970000e+00 -6.2057800000e-01  1.7204900000e+00 -1.2050020000e+00  3.3398700000e-01
+ENERGY -1.526547570353e+02
+FORCES -2.7186000000e-03  4.0080000000e-04 -4.3436000000e-03 -9.7300000000e-04 -1.7827000000e-03  3.4668000000e-03  3.4360000000e-03  1.5739000000e-03  6.9470000000e-04  1.5484000000e-03 -1.9348000000e-03  4.1154000000e-03 -2.5529000000e-03  2.8660000000e-03  3.5300000000e-05  1.2601000000e-03 -1.1233000000e-03 -3.9685000000e-03
+
+JOB 67
+COORDS -1.0133400000e-01 -1.9883210000e+00 -1.3775890000e+00 -3.2513500000e-01 -2.0023050000e+00 -2.3081530000e+00 -9.0041800000e-01 -1.6902320000e+00 -9.4303200000e-01  1.5269400000e-01  1.9229310000e+00  1.4334330000e+00  8.5033500000e-01  2.1923860000e+00  8.3600200000e-01 -4.6560700000e-01  2.6535960000e+00  1.4254720000e+00
+ENERGY -1.526543545668e+02
+FORCES -4.3064000000e-03  1.3468000000e-03 -1.3276000000e-03  9.9380000000e-04  1.6080000000e-04  3.6907000000e-03  3.0557000000e-03 -1.6632000000e-03 -2.3964000000e-03  9.9080000000e-04  3.9994000000e-03 -2.4822000000e-03 -3.0744000000e-03 -7.0320000000e-04  2.5847000000e-03  2.3405000000e-03 -3.1407000000e-03 -6.9200000000e-05
+
+JOB 68
+COORDS  5.4851100000e-01  1.7585960000e+00  1.5625370000e+00 -2.6698400000e-01  2.1400980000e+00  1.8875830000e+00  8.2318900000e-01  1.1552870000e+00  2.2530450000e+00 -4.5114900000e-01 -1.7727560000e+00 -1.6274570000e+00 -7.0961600000e-01 -8.5783400000e-01 -1.5163540000e+00 -1.2778170000e+00 -2.2548620000e+00 -1.6480850000e+00
+ENERGY -1.526546068325e+02
+FORCES -1.5696000000e-03 -9.7510000000e-04  4.6331000000e-03  3.1552000000e-03 -1.7131000000e-03 -1.6442000000e-03 -1.3249000000e-03  2.7467000000e-03 -2.7315000000e-03 -4.0177000000e-03  2.3849000000e-03  4.6400000000e-04  4.6980000000e-04 -4.3310000000e-03 -9.1000000000e-04  3.2872000000e-03  1.8877000000e-03  1.8870000000e-04
+
+JOB 69
+COORDS  1.4448080000e+00 -5.1198500000e-01 -1.9727060000e+00  6.8672300000e-01 -5.8351300000e-01 -2.5527260000e+00  1.0703200000e+00 -4.6414400000e-01 -1.0931030000e+00 -1.4093430000e+00  4.6270400000e-01  1.9124430000e+00 -1.8262430000e+00  1.3137440000e+00  2.0471970000e+00 -6.2728900000e-01  4.8859100000e-01  2.4637630000e+00
+ENERGY -1.526553502753e+02
+FORCES -5.2428000000e-03 -1.3880000000e-04  1.5390000000e-03  3.2282000000e-03  2.8540000000e-04  1.9510000000e-03  2.4396000000e-03 -2.4720000000e-04 -3.7781000000e-03  8.4520000000e-04  3.9070000000e-03  3.6375000000e-03  1.7911000000e-03 -3.5902000000e-03 -5.6850000000e-04 -3.0613000000e-03 -2.1620000000e-04 -2.7809000000e-03
+
+JOB 70
+COORDS  1.7500090000e+00  1.2027850000e+00  1.1481100000e+00  2.5959110000e+00  1.0367780000e+00  7.3202800000e-01  1.9353330000e+00  1.8670050000e+00  1.8119620000e+00 -1.8004770000e+00 -1.2868800000e+00 -1.1737410000e+00 -2.0172660000e+00 -5.5982100000e-01 -1.7573670000e+00 -1.5663750000e+00 -8.6813500000e-01 -3.4544100000e-01
+ENERGY -1.526552487654e+02
+FORCES  4.7434000000e-03  1.9282000000e-03  1.0528000000e-03 -3.4694000000e-03  8.9870000000e-04  1.8175000000e-03 -8.2170000000e-04 -2.7062000000e-03 -2.7709000000e-03  7.6060000000e-04  5.0332000000e-03  1.4609000000e-03  6.0670000000e-04 -3.0056000000e-03  2.0510000000e-03 -1.8196000000e-03 -2.1483000000e-03 -3.6114000000e-03
+
+JOB 71
+COORDS -7.4044300000e-01 -9.4038700000e-01  2.1553510000e+00 -1.0635000000e-02 -4.9097500000e-01  2.5815450000e+00 -9.4067600000e-01 -1.6756700000e+00  2.7345730000e+00  7.3747000000e-01  9.4551800000e-01 -2.2630330000e+00  1.1621080000e+00  1.3189670000e+00 -1.4907310000e+00 -1.7960900000e-01  8.4530600000e-01 -2.0077760000e+00
+ENERGY -1.526546705194e+02
+FORCES  2.0759000000e-03 -1.7754000000e-03  4.3988000000e-03 -2.9740000000e-03 -1.5431000000e-03 -2.0172000000e-03  8.4550000000e-04  3.1181000000e-03 -2.2781000000e-03 -2.4430000000e-03  5.5930000000e-04  4.6497000000e-03 -1.3216000000e-03 -1.2000000000e-03 -3.1647000000e-03  3.8171000000e-03  8.4110000000e-04 -1.5886000000e-03
+
+JOB 72
+COORDS -8.0213300000e-01  2.1610600000e-01  2.3869510000e+00 -1.8312800000e-01 -5.1082000000e-01  2.4550960000e+00 -3.8019700000e-01  9.3545500000e-01  2.8567790000e+00  6.8301900000e-01 -1.8017500000e-01 -2.4009700000e+00  8.1012200000e-01 -9.9366200000e-01 -2.8891470000e+00  1.5657100000e+00  8.5147000000e-02 -2.1427190000e+00
+ENERGY -1.526533695241e+02
+FORCES  4.1846000000e-03 -5.3600000000e-05  1.6260000000e-03 -2.4169000000e-03  2.9305000000e-03  3.9600000000e-05 -1.6631000000e-03 -2.9339000000e-03 -1.8422000000e-03  3.8596000000e-03 -2.1013000000e-03 -8.8140000000e-04 -4.7430000000e-04  3.3140000000e-03  2.0621000000e-03 -3.4900000000e-03 -1.1557000000e-03 -1.0041000000e-03
+
+JOB 73
+COORDS  1.7524010000e+00  1.1393720000e+00 -1.6216030000e+00  1.2531320000e+00  1.9559470000e+00 -1.6345480000e+00  1.0928770000e+00  4.5319200000e-01 -1.7236690000e+00 -1.6712930000e+00 -1.1960180000e+00  1.5748260000e+00 -1.4160760000e+00 -1.2658450000e+00  2.4947290000e+00 -2.1348010000e+00 -3.6051700000e-01  1.5171240000e+00
+ENERGY -1.526544642936e+02
+FORCES -4.8307000000e-03 -5.2000000000e-06 -2.9740000000e-04  1.9836000000e-03 -3.1413000000e-03  1.1600000000e-04  2.8429000000e-03  3.2526000000e-03  9.1000000000e-06 -7.3630000000e-04  2.9060000000e-03  4.0828000000e-03 -1.2441000000e-03  3.0860000000e-04 -3.7845000000e-03  1.9845000000e-03 -3.3207000000e-03 -1.2590000000e-04
+
+JOB 74
+COORDS -6.6352500000e-01 -6.5388500000e-01 -2.6212630000e+00 -8.1584000000e-01  2.9093000000e-01 -2.6401680000e+00  1.7751400000e-01 -7.7027700000e-01 -3.0632340000e+00  5.6423800000e-01  5.8745900000e-01  2.6873030000e+00  9.7097300000e-01  1.1750400000e-01  1.9593320000e+00  1.1028560000e+00  1.3709570000e+00  2.7979960000e+00
+ENERGY -1.526540879742e+02
+FORCES  2.3177000000e-03  3.3989000000e-03 -2.2156000000e-03  8.8450000000e-04 -3.9263000000e-03  9.6600000000e-05 -3.3144000000e-03  5.1080000000e-04  2.0849000000e-03  3.6723000000e-03  9.0900000000e-04 -2.6193000000e-03 -1.3587000000e-03  2.2213000000e-03  3.1872000000e-03 -2.2014000000e-03 -3.1136000000e-03 -5.3380000000e-04
+
+JOB 75
+COORDS  6.8360600000e-01  8.0105900000e-01  2.6647550000e+00  2.5233400000e-01  1.6516830000e+00  2.5830610000e+00 -2.9952000000e-02  1.8525000000e-01  2.8316280000e+00 -6.3727200000e-01 -8.7477100000e-01 -2.6749070000e+00 -3.0176500000e-01 -2.7188500000e-01 -3.3383800000e+00 -7.7965900000e-01 -3.2702000000e-01 -1.9029450000e+00
+ENERGY -1.526541118509e+02
+FORCES -4.4845000000e-03  8.2490000000e-04  1.0173000000e-03  1.7249000000e-03 -3.5621000000e-03 -2.8900000000e-05  2.8787000000e-03  2.6985000000e-03 -9.6260000000e-04  1.2545000000e-03  4.6890000000e-03  5.5870000000e-04 -1.5029000000e-03 -2.4325000000e-03  2.6280000000e-03  1.2940000000e-04 -2.2177000000e-03 -3.2126000000e-03
+
+JOB 76
+COORDS -3.1120600000e-01  2.2088210000e+00 -1.9545100000e+00  3.9649000000e-02  3.0709280000e+00 -2.1779020000e+00  3.8790100000e-01  1.7873700000e+00 -1.4546480000e+00  1.8932000000e-01 -2.2568420000e+00  1.9205290000e+00  1.0354710000e+00 -2.6331580000e+00  1.6783600000e+00  4.0835300000e-01 -1.5254150000e+00  2.4978250000e+00
+ENERGY -1.526537909078e+02
+FORCES  4.1465000000e-03  1.5599000000e-03  1.1274000000e-03 -1.4148000000e-03 -3.5278000000e-03  9.5430000000e-04 -2.6622000000e-03  1.9579000000e-03 -2.0308000000e-03  4.1104000000e-03  1.1990000000e-03  1.5588000000e-03 -3.4282000000e-03  1.7173000000e-03  9.1770000000e-04 -7.5160000000e-04 -2.9064000000e-03 -2.5273000000e-03
+
+JOB 77
+COORDS -1.0404700000e-01 -2.9537340000e+00 -4.7034900000e-01  2.2927800000e-01 -3.6319800000e+00  1.1710900000e-01 -1.8944300000e-01 -3.3908630000e+00 -1.3176140000e+00  3.9088000000e-02  3.0446810000e+00  5.3032300000e-01  5.0003600000e-01  3.5340840000e+00 -1.5103100000e-01  3.8122000000e-01  2.1535750000e+00  4.5886300000e-01
+ENERGY -1.526545475003e+02
+FORCES  7.4390000000e-04 -4.8139000000e-03 -1.0232000000e-03 -1.2812000000e-03  2.8293000000e-03 -2.4479000000e-03  4.4920000000e-04  1.8306000000e-03  3.4585000000e-03  3.1067000000e-03 -2.1136000000e-03 -3.1148000000e-03 -1.8291000000e-03 -1.8374000000e-03  2.7427000000e-03 -1.1894000000e-03  4.1049000000e-03  3.8470000000e-04
+
+JOB 78
+COORDS -1.8095500000e+00  2.5036220000e+00  8.5158000000e-02 -1.3718280000e+00  1.8273750000e+00 -4.3187300000e-01 -2.1670220000e+00  3.1087540000e+00 -5.6465800000e-01  1.7963990000e+00 -2.4317540000e+00 -4.2180000000e-03  2.3766700000e+00 -2.8103190000e+00 -6.6467700000e-01  1.3309460000e+00 -3.1823270000e+00  3.6487000000e-01
+ENERGY -1.526543715579e+02
+FORCES  6.9620000000e-04 -5.6450000000e-04 -4.6623000000e-03 -2.1605000000e-03  3.0522000000e-03  1.9549000000e-03  1.3821000000e-03 -2.4042000000e-03  2.6183000000e-03  6.3420000000e-04 -4.7706000000e-03 -8.8750000000e-04 -2.4480000000e-03  1.6087000000e-03  2.6219000000e-03  1.8960000000e-03  3.0784000000e-03 -1.6454000000e-03
+
+JOB 79
+COORDS  1.2942260000e+00  2.1609570000e+00 -1.9224940000e+00  6.9390200000e-01  2.4621370000e+00 -1.2404870000e+00  1.7266670000e+00  2.9574570000e+00 -2.2304120000e+00 -1.3183430000e+00 -2.2805040000e+00  1.9213240000e+00 -6.7570700000e-01 -1.7584520000e+00  2.4016490000e+00 -1.3445420000e+00 -1.8861590000e+00  1.0495230000e+00
+ENERGY -1.526542085182e+02
+FORCES -5.0780000000e-04  4.7769000000e-03  1.2108000000e-03  2.3881000000e-03 -1.5511000000e-03 -2.6055000000e-03 -1.8091000000e-03 -3.2738000000e-03  1.3243000000e-03  2.7379000000e-03  3.5422000000e-03 -1.8164000000e-03 -2.7321000000e-03 -2.0087000000e-03 -1.8486000000e-03 -7.7100000000e-05 -1.4855000000e-03  3.7354000000e-03
+
+JOB 80
+COORDS -3.0657610000e+00 -1.0545300000e+00  2.7849600000e-01 -3.4338590000e+00 -1.7597450000e+00 -2.5386500000e-01 -3.4320360000e+00 -1.1965340000e+00  1.1513690000e+00  3.1175350000e+00  1.1040520000e+00 -3.5763200000e-01  3.2929210000e+00  4.3534700000e-01  3.0441600000e-01  2.7166610000e+00  1.8242540000e+00  1.2903200000e-01
+ENERGY -1.526540431323e+02
+FORCES -3.0293000000e-03 -3.5096000000e-03  1.1619000000e-03  1.4550000000e-03  2.8691000000e-03  2.2613000000e-03  1.5816000000e-03  6.2560000000e-04 -3.4970000000e-03 -1.4150000000e-03  9.6800000000e-05  4.6496000000e-03 -4.7820000000e-04  2.7270000000e-03 -2.6509000000e-03  1.8859000000e-03 -2.8088000000e-03 -1.9249000000e-03
+
+JOB 81
+COORDS -9.4443700000e-01 -1.9491290000e+00  3.0859270000e+00 -2.0462800000e-01 -1.3481400000e+00  2.9980230000e+00 -1.5292290000e+00 -1.5201210000e+00  3.7105880000e+00  9.5629600000e-01  1.9293950000e+00 -3.0571240000e+00  1.4749720000e+00  1.4107020000e+00 -3.6720750000e+00  5.6278000000e-02  1.8456690000e+00 -3.3720660000e+00
+ENERGY -1.526542804449e+02
+FORCES  7.1980000000e-04  4.3189000000e-03  2.0989000000e-03 -3.0489000000e-03 -2.5439000000e-03  4.6870000000e-04  2.3322000000e-03 -1.7849000000e-03 -2.5164000000e-03 -1.6011000000e-03 -2.5529000000e-03 -3.8421000000e-03 -2.0862000000e-03  2.1538000000e-03  2.5078000000e-03  3.6841000000e-03  4.0900000000e-04  1.2830000000e-03
+
+JOB 82
+COORDS -9.6742900000e-01 -1.0904410000e+00 -3.4616510000e+00 -1.1867620000e+00 -2.6321200000e-01 -3.8903900000e+00 -7.1607800000e-01 -1.6729660000e+00 -4.1783930000e+00  9.9786900000e-01  1.1011300000e+00  3.4819850000e+00  5.2510400000e-01  2.6923800000e-01  3.4558820000e+00  8.5764500000e-01  1.4290850000e+00  4.3702490000e+00
+ENERGY -1.526540804224e+02
+FORCES  2.4660000000e-04  1.1367000000e-03 -4.6375000000e-03  8.2690000000e-04 -3.4336000000e-03  1.6916000000e-03 -1.0579000000e-03  2.3320000000e-03  2.9240000000e-03 -2.5763000000e-03 -2.1872000000e-03  3.3186000000e-03  1.9684000000e-03  3.4442000000e-03  2.9630000000e-04  5.9240000000e-04 -1.2922000000e-03 -3.5931000000e-03
+
+JOB 83
+COORDS -3.6741120000e+00 -7.8694500000e-01 -2.6148200000e-01 -4.3502690000e+00 -4.9445200000e-01 -8.7262200000e-01 -4.1580560000e+00 -1.2135330000e+00  4.4566200000e-01  3.7030930000e+00  8.2226100000e-01  3.0062500000e-01  3.6333760000e+00 -1.0385600000e-01  6.8940000000e-02  4.3826060000e+00  1.1644620000e+00 -2.8023100000e-01
+ENERGY -1.526539619227e+02
+FORCES -4.6976000000e-03 -4.0960000000e-04  4.8010000000e-04  2.7506000000e-03 -1.2388000000e-03  2.4599000000e-03  1.9609000000e-03  1.6839000000e-03 -2.9207000000e-03  2.2123000000e-03 -2.4494000000e-03 -3.3827000000e-03  4.8230000000e-04  3.7760000000e-03  9.7850000000e-04 -2.7085000000e-03 -1.3621000000e-03  2.3848000000e-03
+
+JOB 84
+COORDS  1.1312880000e+00 -3.5320050000e+00 -1.1499310000e+00  1.6719510000e+00 -2.8078210000e+00 -8.3454000000e-01  9.6145600000e-01 -3.3224410000e+00 -2.0683380000e+00 -1.2164000000e+00  3.4995630000e+00  1.2013000000e+00 -9.3521700000e-01  2.9632280000e+00  4.6000800000e-01 -4.0666400000e-01  3.7089840000e+00  1.6668120000e+00
+ENERGY -1.526538490881e+02
+FORCES  1.5208000000e-03  3.6267000000e-03 -2.4944000000e-03 -2.2526000000e-03 -2.8284000000e-03 -1.2848000000e-03  7.0620000000e-04 -7.6300000000e-04  3.8017000000e-03  4.3575000000e-03 -1.3232000000e-03 -1.0329000000e-03 -1.0556000000e-03  2.1745000000e-03  2.9747000000e-03 -3.2763000000e-03 -8.8660000000e-04 -1.9643000000e-03
+
+JOB 85
+COORDS  2.7402400000e-01  3.5788080000e+00  1.4767900000e+00 -4.8427100000e-01  3.1268520000e+00  1.1067140000e+00  1.1394900000e-01  3.5829100000e+00  2.4205010000e+00 -2.8230400000e-01 -3.5064500000e+00 -1.5071030000e+00  1.2355000000e-02 -4.0946040000e+00 -2.2024330000e+00  3.0366200000e-01 -3.6903210000e+00 -7.7289000000e-01
+ENERGY -1.526542168766e+02
+FORCES -3.8196000000e-03 -1.9170000000e-03  2.2068000000e-03  3.1103000000e-03  1.9495000000e-03  1.6096000000e-03  6.9490000000e-04 -3.6000000000e-06 -3.7980000000e-03  3.7026000000e-03 -3.1382000000e-03  8.1200000000e-05 -1.2276000000e-03  2.3726000000e-03  2.8512000000e-03 -2.4605000000e-03  7.3670000000e-04 -2.9508000000e-03
+
+JOB 86
+COORDS  2.0011160000e+00 -1.1574720000e+00  3.3223180000e+00  1.3993520000e+00 -4.4030500000e-01  3.5217760000e+00  1.4997890000e+00 -1.7396470000e+00  2.7513740000e+00 -1.9918990000e+00  1.1062880000e+00 -3.2995900000e+00 -1.3489850000e+00  1.1628000000e+00 -4.0064840000e+00 -1.7020240000e+00  1.7558450000e+00 -2.6590590000e+00
+ENERGY -1.526541679669e+02
+FORCES -4.5641000000e-03  4.2890000000e-04 -1.4710000000e-03  2.4916000000e-03 -2.8492000000e-03 -8.4850000000e-04  2.0972000000e-03  2.4304000000e-03  2.3353000000e-03  3.7995000000e-03  2.9626000000e-03 -4.4950000000e-04 -2.6341000000e-03 -2.4650000000e-04  2.9318000000e-03 -1.1901000000e-03 -2.7262000000e-03 -2.4980000000e-03
+
+JOB 87
+COORDS  3.3868510000e+00 -1.3053600000e+00  1.7009300000e+00  4.2256680000e+00 -1.6014460000e+00  1.3474460000e+00  3.2676870000e+00 -1.8200520000e+00  2.4991320000e+00 -3.4328640000e+00  1.3079980000e+00 -1.6664370000e+00 -2.8034570000e+00  2.0169370000e+00 -1.7986650000e+00 -3.9384190000e+00  1.2812910000e+00 -2.4787990000e+00
+ENERGY -1.526539976228e+02
+FORCES  2.7983000000e-03 -3.3700000000e-03  1.8337000000e-03 -3.3935000000e-03  1.2406000000e-03  1.4218000000e-03  5.6590000000e-04  2.1097000000e-03 -3.2453000000e-03  7.1840000000e-04  2.7449000000e-03 -3.7842000000e-03 -2.6981000000e-03 -2.8270000000e-03  4.7300000000e-04  2.0090000000e-03  1.0180000000e-04  3.3011000000e-03
+
+JOB 88
+COORDS -1.4515400000e-01  4.1795590000e+00  9.7829900000e-01 -2.3705400000e-01  3.9776460000e+00  1.9094370000e+00 -7.2476100000e-01  3.5569530000e+00  5.3938100000e-01  1.4006800000e-01 -4.1690340000e+00 -9.9393600000e-01  2.8961700000e-01 -3.7818170000e+00 -1.8564500000e+00  8.3983600000e-01 -3.8129690000e+00 -4.4642000000e-01
+ENERGY -1.526541501177e+02
+FORCES -2.8534000000e-03 -3.2817000000e-03  2.0602000000e-03  4.2490000000e-04  7.9750000000e-04 -3.8186000000e-03  2.4487000000e-03  2.5052000000e-03  1.7546000000e-03  3.5699000000e-03  2.9147000000e-03 -1.3569000000e-03 -6.6300000000e-04 -1.5357000000e-03  3.5571000000e-03 -2.9271000000e-03 -1.4000000000e-03 -2.1965000000e-03
+
+JOB 89
+COORDS -1.9150200000e-01  1.3454630000e+00  4.1074680000e+00 -4.0182000000e-02  1.4911600000e+00  5.0413340000e+00  6.3921400000e-01  9.9988300000e-01  3.7807930000e+00  1.0026400000e-01 -1.3569230000e+00 -4.1103090000e+00  5.5537500000e-01 -5.3824800000e-01 -3.9131360000e+00  5.9141600000e-01 -1.7348610000e+00 -4.8398040000e+00
+ENERGY -1.526539962800e+02
+FORCES  3.9528000000e-03 -9.1370000000e-04  2.4643000000e-03 -6.0490000000e-04 -5.7000000000e-04 -3.8114000000e-03 -3.3468000000e-03  1.4776000000e-03  1.3357000000e-03  3.7750000000e-03  1.8584000000e-03 -2.1603000000e-03 -1.7913000000e-03 -3.3792000000e-03 -8.1670000000e-04 -1.9848000000e-03  1.5269000000e-03  2.9883000000e-03
+
+JOB 0
+COORDS -4.3168200000e-01 -1.8592600000e-01 -1.2939890000e+00  8.3608000000e-02 -9.7134000000e-02 -4.9222600000e-01  1.8868300000e-01 -5.1920300000e-01 -1.9422990000e+00  4.1247000000e-01  1.6645700000e-01  1.2640330000e+00  3.7141500000e-01  1.1161760000e+00  1.3761910000e+00 -4.6013300000e-01 -1.4198700000e-01  1.5082850000e+00
+ENERGY -1.526610434227e+02
+FORCES  7.3106000000e-03  8.4490000000e-04  1.1743500000e-02 -6.0013000000e-03 -1.0782000000e-03 -9.6465000000e-03 -6.5270000000e-04  1.3132000000e-03  3.4737000000e-03 -5.7264000000e-03  2.0476000000e-03 -9.5880000000e-04 -2.0590000000e-04 -5.3471000000e-03 -1.5742000000e-03  5.2758000000e-03  2.2196000000e-03 -3.0376000000e-03
+
+JOB 1
+COORDS  1.0257110000e+00 -4.2833000000e-02  7.8467800000e-01  1.7418460000e+00  5.0353700000e-01  1.1085040000e+00  1.0094810000e+00 -7.9371100000e-01  1.3781010000e+00 -1.1189590000e+00  3.6015000000e-02 -8.3983400000e-01 -4.5895000000e-01  1.0228300000e-01 -1.4974100000e-01 -6.9260800000e-01  4.0048100000e-01 -1.6154760000e+00
+ENERGY -1.526595845958e+02
+FORCES -3.7269000000e-03  3.5710000000e-04 -2.0905000000e-03 -2.6012000000e-03 -4.1346000000e-03 -1.0477000000e-03  4.8290000000e-04  4.8188000000e-03 -2.5468000000e-03  1.4162700000e-02  1.3103000000e-03  6.6119000000e-03 -7.0453000000e-03 -1.8982000000e-03 -2.6935000000e-03 -1.2723000000e-03 -4.5320000000e-04  1.7665000000e-03
+
+JOB 2
+COORDS -7.9559900000e-01 -2.0572100000e-01  1.1156820000e+00 -1.9296000000e-02 -4.9816000000e-01  6.3812000000e-01 -1.4591940000e+00 -8.6831500000e-01  9.2373600000e-01  8.1452700000e-01  2.4621300000e-01 -1.0135380000e+00 -5.3910000000e-03  7.1867800000e-01 -1.1575630000e+00  1.1405940000e+00  5.7618000000e-02 -1.8935060000e+00
+ENERGY -1.526596772199e+02
+FORCES  6.8725000000e-03 -3.4615000000e-03 -6.7283000000e-03 -6.3672000000e-03  6.8480000000e-04  4.8737000000e-03  2.3818000000e-03  2.8112000000e-03 -6.5600000000e-04 -4.7501000000e-03  2.3829000000e-03  4.3590000000e-04  4.9700000000e-03 -3.5687000000e-03 -1.5821000000e-03 -3.1071000000e-03  1.1513000000e-03  3.6568000000e-03
+
+JOB 3
+COORDS  1.1357760000e+00 -1.8163000000e-02  6.3422400000e-01  1.9504410000e+00  4.7756900000e-01  7.1670200000e-01  1.1336650000e+00 -6.0402200000e-01  1.3911890000e+00 -1.2062260000e+00 -5.5120000000e-03 -7.3811000000e-01 -1.7134870000e+00  3.7538300000e-01 -2.1286000000e-02 -2.9341100000e-01  1.4665900000e-01 -4.9347800000e-01
+ENERGY -1.526595674018e+02
+FORCES -3.8314000000e-03 -2.2861000000e-03  2.7200000000e-05 -4.1350000000e-03 -2.8548000000e-03  4.1230000000e-04  1.6495000000e-03  4.0410000000e-03 -2.6442000000e-03  1.1241000000e-02  1.9321000000e-03  8.8897000000e-03  8.0050000000e-04 -1.5278000000e-03 -1.6450000000e-03 -5.7246000000e-03  6.9570000000e-04 -5.0401000000e-03
+
+JOB 4
+COORDS  2.7666900000e-01 -8.8909600000e-01 -1.0082130000e+00  7.6035800000e-01 -1.6944560000e+00 -1.1917110000e+00  9.3302300000e-01 -1.9524600000e-01 -1.0714980000e+00 -3.5287100000e-01  9.2069700000e-01  1.0755300000e+00 -1.2859300000e-01  7.7020000000e-03  8.9560800000e-01 -8.4297000000e-02  1.3935180000e+00  2.8778600000e-01
+ENERGY -1.526553619540e+02
+FORCES  3.7851000000e-03  8.3980000000e-04 -1.9975000000e-03 -2.3053000000e-03  4.2990000000e-03  1.8076000000e-03 -4.7644000000e-03 -1.6725000000e-03  2.8856000000e-03  2.4010000000e-04 -7.3897000000e-03 -9.2987000000e-03  1.3996000000e-03  5.0163000000e-03  4.8616000000e-03  1.6449000000e-03 -1.0929000000e-03  1.7414000000e-03
+
+JOB 5
+COORDS -2.8496700000e-01 -1.2783330000e+00  6.4282800000e-01 -4.1672100000e-01 -3.8010800000e-01  3.3940700000e-01  6.3777600000e-01 -1.4592120000e+00  4.6377200000e-01  2.9396400000e-01  1.2262910000e+00 -5.8073000000e-01  3.1986000000e-01  1.3060800000e+00 -1.5342470000e+00 -6.2397500000e-01  1.3729780000e+00 -3.5247100000e-01
+ENERGY -1.526549268768e+02
+FORCES  8.5180000000e-03  9.5069000000e-03 -6.1388000000e-03 -8.2442000000e-03  9.9440000000e-04  2.6195000000e-03 -2.7142000000e-03 -2.2607000000e-03  1.1739000000e-03 -2.8767000000e-03 -5.1920000000e-04 -3.7847000000e-03 -3.8000000000e-06 -1.2900000000e-04  5.0351000000e-03  5.3209000000e-03 -7.5923000000e-03  1.0950000000e-03
+
+JOB 6
+COORDS  1.2619700000e+00  5.6715800000e-01 -4.7681800000e-01  1.6987660000e+00  3.6833800000e-01  3.5138000000e-01  4.4200800000e-01  7.4680000000e-02 -4.3996000000e-01 -1.2012940000e+00 -4.6993500000e-01  3.9389100000e-01 -1.0941340000e+00 -7.6639900000e-01  1.2976930000e+00 -1.8676570000e+00 -1.0515530000e+00  2.7950000000e-02
+ENERGY -1.526593277468e+02
+FORCES -1.0049000000e-02 -5.1490000000e-03  5.5923000000e-03 -1.2511000000e-03  5.3370000000e-04 -1.8456000000e-03  8.0342000000e-03  2.2811000000e-03 -3.5362000000e-03 -5.9800000000e-05 -1.3051000000e-03  2.2393000000e-03 -2.7320000000e-04  9.1270000000e-04 -4.7893000000e-03  3.5989000000e-03  2.7265000000e-03  2.3395000000e-03
+
+JOB 7
+COORDS -1.1400500000e+00 -6.4462900000e-01  6.8609900000e-01 -3.4064900000e-01 -8.5797200000e-01  2.0477400000e-01 -1.3375400000e+00  2.5779200000e-01  4.3536700000e-01  1.1333810000e+00  5.5809600000e-01 -6.0793400000e-01  6.9357600000e-01  5.2034500000e-01 -1.4572740000e+00  1.0262020000e+00  1.4653750000e+00 -3.2229800000e-01
+ENERGY -1.526556349361e+02
+FORCES  1.0239900000e-02  6.4783000000e-03 -4.6369000000e-03 -5.6965000000e-03 -3.9448000000e-03 -8.7100000000e-05 -1.3549000000e-03 -1.3879000000e-03  5.4310000000e-04 -2.5453000000e-03  4.2894000000e-03  2.0430000000e-04  9.0700000000e-05 -1.1753000000e-03  5.9634000000e-03 -7.3400000000e-04 -4.2597000000e-03 -1.9869000000e-03
+
+JOB 8
+COORDS  1.2248100000e+00 -1.4723700000e-01  7.0495800000e-01  2.1374280000e+00 -4.1344000000e-01  5.9317300000e-01  8.5429000000e-01 -1.8425900000e-01 -1.7684500000e-01 -1.2413590000e+00  1.2035200000e-01 -7.0018000000e-01 -1.7320670000e+00 -6.5364000000e-02  1.0041200000e-01 -9.6591700000e-01  1.0322910000e+00 -6.0673900000e-01
+ENERGY -1.526590833959e+02
+FORCES -3.1707000000e-03 -2.1661000000e-03 -5.3160000000e-03 -4.2855000000e-03  8.0290000000e-04 -9.7990000000e-04  7.0983000000e-03  3.0784000000e-03  4.3286000000e-03 -1.3748000000e-03  2.3388000000e-03  7.8064000000e-03  7.8000000000e-04  1.3156000000e-03 -4.4246000000e-03  9.5260000000e-04 -5.3697000000e-03 -1.4146000000e-03
+
+JOB 9
+COORDS -4.0944200000e-01 -1.1333980000e+00 -7.8630000000e-01 -7.5775100000e-01 -1.5739120000e+00 -1.1149000000e-02 -1.0275120000e+00 -4.2256600000e-01 -9.5641400000e-01  4.3418800000e-01  1.1582730000e+00  8.0321700000e-01 -5.7491000000e-02  8.0412500000e-01  6.2229000000e-02  1.3276780000e+00  8.4094600000e-01  6.7202100000e-01
+ENERGY -1.526530201742e+02
+FORCES -4.0500000000e-03  2.0400000000e-04  5.6276000000e-03  1.6016000000e-03  1.8765000000e-03 -4.5333000000e-03  7.6036000000e-03  1.8450000000e-03  4.2721000000e-03  3.0838000000e-03 -9.7899000000e-03 -7.1209000000e-03 -6.0379000000e-03  3.1863000000e-03 -3.8850000000e-04 -2.2011000000e-03  2.6781000000e-03  2.1430000000e-03
+
+JOB 10
+COORDS  1.2613260000e+00  4.0067100000e-01 -5.3776300000e-01  1.1849960000e+00  1.3246440000e+00 -7.7584100000e-01  1.5005310000e+00  4.1061500000e-01  3.8901300000e-01 -1.3093280000e+00 -4.0177200000e-01  5.1058200000e-01 -3.8158700000e-01 -5.1008400000e-01  7.1985700000e-01 -1.5459200000e+00 -1.2046530000e+00  4.6213000000e-02
+ENERGY -1.526524191203e+02
+FORCES -3.8266000000e-03  5.9168000000e-03  1.5369000000e-03  1.8887000000e-03 -3.9633000000e-03  8.6560000000e-04 -5.1148000000e-03 -3.1321000000e-03 -3.0881000000e-03  8.2032000000e-03 -1.7844000000e-03 -6.6171000000e-03 -1.3461000000e-03  1.6980000000e-04  5.2651000000e-03  1.9560000000e-04  2.7932000000e-03  2.0377000000e-03
+
+JOB 11
+COORDS -7.6387200000e-01 -8.6366500000e-01  7.5288900000e-01 -6.1714300000e-01 -1.5780940000e+00  1.3728030000e+00 -1.6163430000e+00 -5.0416200000e-01  9.9841700000e-01  8.1008700000e-01  9.3765200000e-01 -7.8247900000e-01  2.7767500000e-01  2.2255300000e-01 -4.3405000000e-01  1.1930710000e+00  5.8283600000e-01 -1.5847630000e+00
+ENERGY -1.526613437379e+02
+FORCES -7.6000000000e-06  4.2110000000e-04  2.9213000000e-03 -2.3481000000e-03  3.0921000000e-03 -2.2159000000e-03  4.0342000000e-03 -2.6072000000e-03 -6.2180000000e-04 -4.1702000000e-03 -7.7354000000e-03  3.4860000000e-03  3.9457000000e-03  6.6280000000e-03 -6.4977000000e-03 -1.4539000000e-03  2.0140000000e-04  2.9281000000e-03
+
+JOB 12
+COORDS  1.1277000000e+00  6.6214600000e-01  6.7900000000e-01  9.3260700000e-01  1.5838480000e+00  8.4822500000e-01  5.0110100000e-01  4.0442900000e-01  2.8440000000e-03 -1.0385040000e+00 -6.8033700000e-01 -6.0018800000e-01 -1.7534100000e+00 -2.4738800000e-01 -1.0667670000e+00 -9.9585400000e-01 -1.5555840000e+00 -9.8535800000e-01
+ENERGY -1.526596986093e+02
+FORCES -8.5432000000e-03 -2.6762000000e-03 -4.1520000000e-03 -2.4790000000e-04 -2.9874000000e-03 -1.1207000000e-03  7.4185000000e-03  5.9053000000e-03  2.9625000000e-03 -1.3491000000e-03 -2.9413000000e-03 -1.2497000000e-03  4.0172000000e-03 -1.8063000000e-03  2.2410000000e-03 -1.2956000000e-03  4.5059000000e-03  1.3189000000e-03
+
+JOB 13
+COORDS  1.3491690000e+00 -2.0844500000e-01 -4.1945600000e-01  1.3798040000e+00 -1.1587010000e+00 -5.3038600000e-01  1.1443030000e+00  1.2850800000e-01 -1.2916510000e+00 -1.3942500000e+00  2.6310900000e-01  4.6549300000e-01 -1.1026390000e+00  3.3929900000e-01  1.3740030000e+00 -6.2285200000e-01 -4.6839000000e-02 -8.9640000000e-03
+ENERGY -1.526587563442e+02
+FORCES  2.8088000000e-03 -1.1523000000e-03 -3.8802000000e-03 -2.5398000000e-03  5.6274000000e-03  1.0416000000e-03 -1.8430000000e-03 -2.7816000000e-03  6.0740000000e-03  1.2501100000e-02 -9.6960000000e-04  1.2207000000e-03 -2.3553000000e-03 -3.8040000000e-04 -2.0504000000e-03 -8.5719000000e-03 -3.4360000000e-04 -2.4057000000e-03
+
+JOB 14
+COORDS  5.4267200000e-01  7.1884000000e-02  1.3392190000e+00 -1.9418100000e-01  6.2804200000e-01  1.0863000000e+00  1.2393770000e+00  6.8658100000e-01  1.5693920000e+00 -5.0060900000e-01 -1.1061400000e-01 -1.3834060000e+00 -3.0027300000e-01 -2.5006400000e-01 -4.5785100000e-01 -1.3591520000e+00 -5.1548100000e-01 -1.5067670000e+00
+ENERGY -1.526559646457e+02
+FORCES  2.8245000000e-03  6.6392000000e-03 -3.0020000000e-04  3.0785000000e-03 -8.1143000000e-03 -4.7039000000e-03 -3.8194000000e-03 -2.6070000000e-03  1.1750000000e-04  2.4317000000e-03 -4.3103000000e-03  4.8314000000e-03 -7.8631000000e-03  6.4080000000e-03 -1.9609000000e-03  3.3479000000e-03  1.9843000000e-03  2.0160000000e-03
+
+JOB 15
+COORDS -6.2854200000e-01 -1.0293810000e+00  8.4543400000e-01  8.8800000000e-03 -4.1807700000e-01  4.7633600000e-01 -9.8366000000e-02 -1.6806110000e+00  1.3048290000e+00  6.2206600000e-01  1.0328980000e+00 -7.9687600000e-01  5.7009100000e-01  5.2566400000e-01 -1.6069650000e+00 -2.0504200000e-01  1.5133600000e+00 -7.6108000000e-01
+ENERGY -1.526616118453e+02
+FORCES  6.7959000000e-03  4.9489000000e-03 -2.4616000000e-03 -6.1824000000e-03 -7.7230000000e-03  4.7000000000e-03 -8.8150000000e-04  2.6268000000e-03 -2.3144000000e-03 -4.4584000000e-03  1.6475000000e-03 -5.1277000000e-03  2.2220000000e-04  1.9407000000e-03  4.9776000000e-03  4.5042000000e-03 -3.4409000000e-03  2.2600000000e-04
+
+JOB 16
+COORDS -9.6456300000e-01 -7.8858500000e-01 -6.1283900000e-01 -1.4069660000e+00 -2.2575200000e-01 -1.2482370000e+00 -1.4507490000e+00 -1.6125770000e+00 -6.4268400000e-01  1.0058290000e+00  8.6347600000e-01  6.5654400000e-01  1.8393000000e+00  3.9279800000e-01  6.5205000000e-01  3.4846300000e-01  1.8910800000e-01  4.8528700000e-01
+ENERGY -1.526612909202e+02
+FORCES -2.2316000000e-03  8.7400000000e-04 -2.2482000000e-03  1.0605000000e-03 -4.0032000000e-03  2.8857000000e-03  1.8446000000e-03  3.9880000000e-03 -9.9260000000e-04 -4.0287000000e-03 -7.9959000000e-03 -3.7223000000e-03 -2.5862000000e-03  1.1581000000e-03  1.2390000000e-04  5.9414000000e-03  5.9791000000e-03  3.9536000000e-03
+
+JOB 17
+COORDS -1.0471090000e+00  6.1716000000e-01  7.2725700000e-01 -3.5950900000e-01  4.2220800000e-01  1.3639930000e+00 -1.8411750000e+00  7.1252500000e-01  1.2531830000e+00  1.0841480000e+00 -5.8526200000e-01 -7.2848700000e-01  2.6694200000e-01 -3.2586200000e-01 -1.1540660000e+00  1.4206740000e+00 -1.2991770000e+00 -1.2700650000e+00
+ENERGY -1.526586230315e+02
+FORCES  2.8487000000e-03 -1.5055000000e-03  4.6103000000e-03 -5.3183000000e-03  2.3227000000e-03 -7.5930000000e-04  3.5473000000e-03 -9.5610000000e-04 -1.8836000000e-03 -5.1311000000e-03  2.4010000000e-04 -2.6984000000e-03  6.1888000000e-03 -2.7582000000e-03 -1.3395000000e-03 -2.1354000000e-03  2.6570000000e-03  2.0705000000e-03
+
+JOB 18
+COORDS -9.1951800000e-01 -1.1802050000e+00 -3.4260600000e-01 -1.2536960000e+00 -6.9086300000e-01 -1.0943390000e+00 -4.5077200000e-01 -5.2855200000e-01  1.7879300000e-01  8.5633100000e-01  1.0817980000e+00  3.5960500000e-01  1.6474510000e+00  1.0114950000e+00  8.9385000000e-01  1.0528180000e+00  1.7754450000e+00 -2.7006100000e-01
+ENERGY -1.526599114153e+02
+FORCES  4.7808000000e-03  9.4178000000e-03  1.5760000000e-04  4.3090000000e-04 -1.9027000000e-03  1.5433000000e-03 -4.9443000000e-03 -6.9763000000e-03 -1.7970000000e-04  3.5867000000e-03  1.5108000000e-03 -1.9537000000e-03 -3.5870000000e-03  7.5090000000e-04 -2.7258000000e-03 -2.6700000000e-04 -2.8006000000e-03  3.1583000000e-03
+
+JOB 19
+COORDS  1.1821000000e-02  9.9715700000e-01 -1.1685260000e+00 -2.7269200000e-01  1.9863100000e-01 -7.2395700000e-01  6.2186000000e-02  1.6536780000e+00 -4.7377800000e-01 -3.4097000000e-02 -1.0136950000e+00  1.0525970000e+00  9.0735500000e-01 -1.0094630000e+00  1.2254620000e+00 -4.2132100000e-01 -5.9695200000e-01  1.8224120000e+00
+ENERGY -1.526595379632e+02
+FORCES -1.4063000000e-03 -5.0397000000e-03  8.8643000000e-03  2.6450000000e-04  5.6703000000e-03 -6.5933000000e-03  2.4750000000e-04 -1.1844000000e-03 -2.1686000000e-03  3.6274000000e-03  1.0352000000e-03  4.3640000000e-03 -4.9970000000e-03  4.4160000000e-04 -2.5940000000e-04  2.2640000000e-03 -9.2290000000e-04 -4.2070000000e-03
+
+JOB 20
+COORDS  6.2907000000e-02  5.2721900000e-01 -1.4446950000e+00  2.6183400000e-01  3.8990500000e-01 -5.1851700000e-01 -8.3220300000e-01  2.0431400000e-01 -1.5483400000e+00 -4.2147000000e-02 -4.5022600000e-01  1.3679750000e+00  6.4418600000e-01 -3.3995400000e-01  2.0260160000e+00 -2.1612900000e-01 -1.3914300000e+00  1.3580700000e+00
+ENERGY -1.526606857877e+02
+FORCES -3.3974000000e-03 -3.2414000000e-03  9.5103000000e-03  1.8191000000e-03  3.2479000000e-03 -8.3422000000e-03  2.5747000000e-03  4.7340000000e-04 -8.1840000000e-04  1.3676000000e-03 -4.2416000000e-03  2.8547000000e-03 -3.1189000000e-03 -9.0690000000e-04 -3.6157000000e-03  7.5490000000e-04  4.6686000000e-03  4.1130000000e-04
+
+JOB 21
+COORDS -1.2083250000e+00  4.9671600000e-01  6.9712300000e-01 -1.1794620000e+00  1.1686580000e+00  1.6026000000e-02 -1.9307900000e+00 -7.5711000000e-02  4.3904600000e-01  1.2526670000e+00 -5.5854700000e-01 -6.8492300000e-01  1.5585970000e+00  3.3742400000e-01 -8.2589900000e-01  7.8857700000e-01 -5.2485400000e-01  1.5156800000e-01
+ENERGY -1.526582904925e+02
+FORCES -3.3630000000e-03 -1.3100000000e-05 -6.4100000000e-03  5.1090000000e-04 -2.3773000000e-03  3.4925000000e-03  3.1700000000e-03  2.6949000000e-03  1.4542000000e-03 -4.7548000000e-03  4.9788000000e-03  6.0873000000e-03 -1.5500000000e-03 -2.6099000000e-03 -3.9070000000e-04  5.9869000000e-03 -2.6734000000e-03 -4.2334000000e-03
+
+JOB 22
+COORDS -8.9256900000e-01  7.8666600000e-01 -9.6186500000e-01 -6.9317500000e-01 -9.1124000000e-02 -1.2873780000e+00 -1.3585690000e+00  6.3743300000e-01 -1.3918300000e-01  8.3998800000e-01 -7.4248800000e-01  9.2500700000e-01  1.5774440000e+00 -1.2205620000e+00  1.3042620000e+00  1.2168520000e+00  8.7402000000e-02  6.3262500000e-01
+ENERGY -1.526589627740e+02
+FORCES -9.8480000000e-04 -7.6076000000e-03  4.0402000000e-03 -1.0103000000e-03  4.5508000000e-03 -8.9870000000e-04  1.0569000000e-03  2.5129000000e-03 -3.6908000000e-03  3.9431000000e-03  3.2292000000e-03 -1.2220000000e-04 -2.8764000000e-03  2.4813000000e-03 -2.2997000000e-03 -1.2850000000e-04 -5.1666000000e-03  2.9712000000e-03
+
+JOB 23
+COORDS -1.1696610000e+00  8.8869400000e-01 -4.1516300000e-01 -5.0525600000e-01  2.1641300000e-01 -2.6404600000e-01 -1.7995010000e+00  4.7521800000e-01 -1.0055620000e+00  1.1412520000e+00 -8.7177800000e-01  4.1198400000e-01  1.8599280000e+00 -2.8983200000e-01  1.6485000000e-01  8.5656000000e-01 -5.5145800000e-01  1.2678910000e+00
+ENERGY -1.526611096083e+02
+FORCES  3.8829000000e-03 -7.3203000000e-03 -1.3766000000e-03 -7.1458000000e-03  7.4758000000e-03  5.6560000000e-04  2.3940000000e-03  1.0988000000e-03  1.9917000000e-03  5.5122000000e-03  2.2038000000e-03  4.1801000000e-03 -4.4373000000e-03 -2.7157000000e-03  1.2234000000e-03 -2.0600000000e-04 -7.4240000000e-04 -6.5842000000e-03
+
+JOB 24
+COORDS -1.0068060000e+00  3.3907400000e-01  1.1391210000e+00 -1.2356230000e+00  2.8924500000e-01  2.1101000000e-01 -1.7690100000e-01 -1.3297800000e-01  1.2073680000e+00  9.6019600000e-01 -3.5054600000e-01 -1.0425360000e+00  7.6544900000e-01  5.8158200000e-01 -1.1397140000e+00  1.4121980000e+00 -5.8699300000e-01 -1.8524850000e+00
+ENERGY -1.526580177852e+02
+FORCES  4.2103000000e-03 -6.0010000000e-03 -5.2068000000e-03  7.4000000000e-06  3.5007000000e-03  2.7520000000e-03 -3.6830000000e-03  3.5332000000e-03  2.4934000000e-03  2.4974000000e-03  2.5427000000e-03 -3.9342000000e-03 -7.5610000000e-04 -5.3470000000e-03  4.6190000000e-04 -2.2760000000e-03  1.7713000000e-03  3.4337000000e-03
+
+JOB 25
+COORDS -5.0095200000e-01  1.4117490000e+00 -4.8606300000e-01  5.9814000000e-02  1.2864710000e+00 -1.2516200000e+00 -5.6470800000e-01  5.4246400000e-01 -9.0448000000e-02  4.5848200000e-01 -1.3064190000e+00  4.6549300000e-01  1.2659530000e+00 -1.8135280000e+00  5.4953700000e-01 -8.4485000000e-02 -1.5965170000e+00  1.1984740000e+00
+ENERGY -1.526586929964e+02
+FORCES  5.2632000000e-03 -8.6790000000e-03 -3.5590000000e-04 -1.8724000000e-03  1.9956000000e-03  1.5015000000e-03 -4.9808000000e-03  5.5269000000e-03 -1.6130000000e-04  3.4351000000e-03 -2.6882000000e-03  2.8075000000e-03 -3.9168000000e-03  1.3610000000e-03  1.4680000000e-04  2.0717000000e-03  2.4838000000e-03 -3.9386000000e-03
+
+JOB 26
+COORDS  1.9180000000e-03 -1.1751830000e+00  9.0205200000e-01 -3.4503500000e-01 -1.6072540000e+00  1.2155800000e-01  5.0102800000e-01 -1.8569140000e+00  1.3519010000e+00  2.0430000000e-03  1.2582720000e+00 -9.4967500000e-01 -7.0275500000e-01  1.5753850000e+00 -3.8493400000e-01  4.7164300000e-01  6.2042900000e-01 -4.1221400000e-01
+ENERGY -1.526601959588e+02
+FORCES -7.5760000000e-04 -5.9583000000e-03 -2.6080000000e-04  2.8024000000e-03  2.4903000000e-03  4.0664000000e-03 -2.4792000000e-03  2.8090000000e-03 -2.5722000000e-03 -4.3620000000e-04 -3.1853000000e-03  8.2785000000e-03  1.7445000000e-03 -2.5850000000e-04 -3.0407000000e-03 -8.7390000000e-04  4.1029000000e-03 -6.4713000000e-03
+
+JOB 27
+COORDS  6.4103500000e-01  7.9713700000e-01  1.2009030000e+00  5.1481600000e-01  1.6357600000e+00  7.5704200000e-01  3.8182700000e-01  1.4151900000e-01  5.5344100000e-01 -6.1813700000e-01 -8.0109400000e-01 -1.0641470000e+00 -1.3504420000e+00 -9.2341100000e-01 -1.6683000000e+00  1.4765100000e-01 -7.0843500000e-01 -1.6309050000e+00
+ENERGY -1.526588808003e+02
+FORCES -5.7117000000e-03 -1.6092000000e-03 -6.3755000000e-03  1.2003000000e-03 -2.2731000000e-03  1.5233000000e-03  6.7901000000e-03  3.5285000000e-03  3.6005000000e-03 -2.9202000000e-03 -9.6910000000e-04 -4.7476000000e-03  4.1037000000e-03  3.7790000000e-04  1.4520000000e-03 -3.4622000000e-03  9.4510000000e-04  4.5473000000e-03
+
+JOB 28
+COORDS -4.1195200000e-01 -2.3984600000e-01 -1.5228130000e+00  4.6878600000e-01 -6.0600100000e-01 -1.6032030000e+00 -5.4729900000e-01 -1.4503200000e-01 -5.7998500000e-01  3.9667100000e-01  2.3303800000e-01  1.4107970000e+00  7.7416900000e-01  4.6821600000e-01  2.2583920000e+00 -5.3909700000e-01  4.0971300000e-01  1.5075230000e+00
+ENERGY -1.526559465366e+02
+FORCES  6.8019000000e-03 -6.7160000000e-04  6.5105000000e-03 -3.2738000000e-03  6.7430000000e-04 -2.0204000000e-03 -5.1885000000e-03  5.9980000000e-04 -1.9162000000e-03 -7.7910000000e-04  2.5890000000e-03  5.2545000000e-03 -1.9535000000e-03 -9.1680000000e-04 -3.5893000000e-03  4.3930000000e-03 -2.2747000000e-03 -4.2392000000e-03
+
+JOB 29
+COORDS  3.3773100000e-01 -7.6653300000e-01 -1.3246370000e+00 -5.7060300000e-01 -5.9878700000e-01 -1.0735950000e+00  6.0780700000e-01 -1.5001490000e+00 -7.7228000000e-01 -3.3368500000e-01  8.0122500000e-01  1.3115740000e+00  2.3519300000e-01  6.1221000000e-02  1.0994300000e+00 -7.0554000000e-02  1.4891830000e+00  7.0025800000e-01
+ENERGY -1.526563834058e+02
+FORCES -4.7560000000e-03 -2.9085000000e-03  2.0864000000e-03  5.4089000000e-03 -7.5200000000e-04 -1.3977000000e-03 -6.9960000000e-04  5.0151000000e-03 -3.9810000000e-04  6.3290000000e-03  5.0260000000e-04 -5.6928000000e-03 -3.7044000000e-03  1.6400000000e-05  2.2188000000e-03 -2.5780000000e-03 -1.8736000000e-03  3.1834000000e-03
+
+JOB 30
+COORDS -4.9094100000e-01  1.3996290000e+00  5.2145300000e-01 -4.7559500000e-01  5.5854400000e-01  9.7815100000e-01 -1.4080250000e+00  1.5230620000e+00  2.7659900000e-01  4.7818600000e-01 -1.3565910000e+00 -5.4680100000e-01  1.0089310000e+00 -2.1346420000e+00 -3.7598300000e-01  1.0954110000e+00 -6.2735500000e-01 -4.8780200000e-01
+ENERGY -1.526581435930e+02
+FORCES -5.1391000000e-03 -5.1729000000e-03 -3.4700000000e-04  1.2869000000e-03  5.6895000000e-03 -4.7910000000e-04  3.2508000000e-03  1.8980000000e-04  1.5044000000e-03  5.1203000000e-03  1.0139000000e-03 -1.7261000000e-03 -2.3033000000e-03  3.8098000000e-03 -2.7060000000e-04 -2.2157000000e-03 -5.5301000000e-03  1.3183000000e-03
+
+JOB 31
+COORDS  1.3016460000e+00 -7.7836500000e-01  3.5021700000e-01  2.0018260000e+00 -2.0678600000e-01  3.5135000000e-02  1.7276150000e+00 -1.6236820000e+00  4.9241900000e-01 -1.3322510000e+00  8.4953500000e-01 -3.5807800000e-01 -2.0825230000e+00  3.9972200000e-01 -7.4665400000e-01 -1.0319100000e+00  2.6099000000e-01  3.3448400000e-01
+ENERGY -1.526576186601e+02
+FORCES  5.4544000000e-03  9.6500000000e-05 -2.1139000000e-03 -2.0039000000e-03 -3.3758000000e-03  1.9848000000e-03 -1.9383000000e-03  3.5679000000e-03 -8.7330000000e-04  1.2655000000e-03 -6.0542000000e-03  1.6789000000e-03  2.6004000000e-03  1.5435000000e-03  1.4099000000e-03 -5.3781000000e-03  4.2221000000e-03 -2.0863000000e-03
+
+JOB 32
+COORDS -2.4370400000e-01  1.3587580000e+00  9.3297600000e-01  5.6202000000e-01  1.3138270000e+00  1.4477790000e+00 -1.5064100000e-01  6.6459100000e-01  2.8051700000e-01  1.6530300000e-01 -1.2682000000e+00 -9.4807100000e-01  1.0869050000e+00 -1.4821190000e+00 -1.0933960000e+00 -1.5426800000e-01 -1.9625520000e+00 -3.7189300000e-01
+ENERGY -1.526600994447e+02
+FORCES  3.5050000000e-03 -5.2450000000e-03 -3.3950000000e-03 -2.6226000000e-03  4.0000000000e-05 -1.5586000000e-03 -1.0715000000e-03  7.0412000000e-03  6.4376000000e-03  2.3937000000e-03 -6.8397000000e-03 -4.5550000000e-04 -4.3437000000e-03  1.1857000000e-03  1.4440000000e-03  2.1391000000e-03  3.8179000000e-03 -2.4724000000e-03
+
+JOB 33
+COORDS  7.9124300000e-01 -9.7059600000e-01 -1.0780460000e+00 -1.2997800000e-01 -1.2136550000e+00 -1.1702660000e+00  1.0625610000e+00 -1.3678030000e+00 -2.5049200000e-01 -7.0410300000e-01  9.7590700000e-01  1.0126330000e+00 -1.4228020000e+00  1.3028870000e+00  4.7153400000e-01 -9.6266700000e-01  1.1888890000e+00  1.9093020000e+00
+ENERGY -1.526537094436e+02
+FORCES -3.8751000000e-03  4.7900000000e-05  6.5915000000e-03  3.1335000000e-03  3.1470000000e-04 -1.2599000000e-03  1.8560000000e-04 -3.9630000000e-04 -4.0686000000e-03 -3.6276000000e-03  3.6282000000e-03  1.6640000000e-04  2.5338000000e-03 -2.0584000000e-03  2.5634000000e-03  1.6498000000e-03 -1.5362000000e-03 -3.9928000000e-03
+
+JOB 34
+COORDS -1.4651140000e+00  6.7313400000e-01  5.5683800000e-01 -8.2719000000e-01  1.2821720000e+00  1.8487300000e-01 -1.1119260000e+00 -1.9440000000e-01  3.5967100000e-01  1.3529210000e+00 -6.6582900000e-01 -4.8286200000e-01  2.0448240000e+00 -1.3260000000e-02 -3.7490600000e-01  1.5580600000e+00 -1.0982110000e+00 -1.3118350000e+00
+ENERGY -1.526581891775e+02
+FORCES  7.2747000000e-03 -2.9404000000e-03 -3.3878000000e-03 -3.0167000000e-03  1.9330000000e-04  1.7839000000e-03 -5.2268000000e-03  2.8531000000e-03  1.6932000000e-03  5.4024000000e-03  2.5360000000e-04 -2.8703000000e-03 -3.4706000000e-03 -2.4789000000e-03 -9.9860000000e-04 -9.6310000000e-04  2.1194000000e-03  3.7795000000e-03
+
+JOB 35
+COORDS  1.9493500000e-01 -5.6024100000e-01 -1.5564680000e+00  1.1219560000e+00 -4.9341300000e-01 -1.7853730000e+00 -2.2475000000e-02  2.9426100000e-01 -1.1839210000e+00 -2.9405400000e-01  5.3736800000e-01  1.5630740000e+00 -2.2946500000e-01 -3.6632500000e-01  1.2542050000e+00  6.1276500000e-01  8.4008500000e-01  1.6107400000e+00
+ENERGY -1.526576911337e+02
+FORCES  1.7206000000e-03  5.1327000000e-03 -7.6160000000e-04 -3.7183000000e-03 -2.0780000000e-04  1.8464000000e-03  2.4068000000e-03 -5.1093000000e-03 -2.6127000000e-03  3.8519000000e-03 -4.6600000000e-03  5.3510000000e-04 -4.2660000000e-04  5.5055000000e-03  2.3889000000e-03 -3.8344000000e-03 -6.6110000000e-04 -1.3962000000e-03
+
+JOB 36
+COORDS -9.9027600000e-01  1.3652690000e+00 -5.3744000000e-01 -1.3000070000e+00  1.5779850000e+00  3.4292900000e-01 -6.2108400000e-01  4.8589500000e-01 -4.5600700000e-01  9.1357000000e-01 -1.3333520000e+00  4.7213200000e-01  1.4033620000e+00 -1.5379490000e+00  1.2686720000e+00  1.5783980000e+00 -1.0345470000e+00 -1.4831200000e-01
+ENERGY -1.526585730569e+02
+FORCES  7.2630000000e-04 -4.8214000000e-03  5.3160000000e-03  7.1040000000e-04  1.4590000000e-04 -3.2469000000e-03 -2.0793000000e-03  6.0341000000e-03 -3.3952000000e-03  6.3811000000e-03 -1.1922000000e-03  2.2519000000e-03 -1.6667000000e-03  6.6020000000e-04 -3.6697000000e-03 -4.0717000000e-03 -8.2660000000e-04  2.7439000000e-03
+
+JOB 37
+COORDS  1.4806090000e+00 -7.9292600000e-01  5.0227400000e-01  5.5004400000e-01 -5.7330200000e-01  5.4750800000e-01  1.4974930000e+00 -1.7421050000e+00  3.7977700000e-01 -1.4004330000e+00  8.3926200000e-01 -4.4780000000e-01 -1.7719360000e+00  4.8597000000e-02 -8.3903700000e-01 -1.6117530000e+00  1.5363650000e+00 -1.0687850000e+00
+ENERGY -1.526567033670e+02
+FORCES -4.7416000000e-03 -5.5230000000e-04 -3.5020000000e-04  5.4034000000e-03 -4.8176000000e-03  8.6870000000e-04 -5.4640000000e-04  3.6525000000e-03  9.3200000000e-05 -2.6798000000e-03  2.3574000000e-03 -5.7391000000e-03  2.6828000000e-03  2.6152000000e-03  2.6730000000e-03 -1.1850000000e-04 -3.2551000000e-03  2.4543000000e-03
+
+JOB 38
+COORDS -1.4062670000e+00 -8.2951500000e-01  4.4565000000e-01 -9.7271600000e-01 -1.3039410000e+00  1.1550050000e+00 -2.3323050000e+00 -1.0534660000e+00  5.3801600000e-01  1.4931960000e+00  8.4537100000e-01 -4.3823700000e-01  5.7085300000e-01  5.9734100000e-01 -5.0145500000e-01  1.6260850000e+00  1.4610690000e+00 -1.1589920000e+00
+ENERGY -1.526588504070e+02
+FORCES -3.1974000000e-03 -3.7632000000e-03  4.0392000000e-03 -2.5176000000e-03  2.0083000000e-03 -3.1983000000e-03  3.8922000000e-03  4.7730000000e-04  7.0100000000e-05 -4.8330000000e-03  6.4550000000e-04 -2.7681000000e-03  7.2104000000e-03  2.8155000000e-03 -7.1290000000e-04 -5.5450000000e-04 -2.1832000000e-03  2.5699000000e-03
+
+JOB 39
+COORDS  1.4217340000e+00 -9.0814800000e-01  4.3909800000e-01  1.8573280000e+00 -8.9802000000e-02  2.0077200000e-01  1.8179930000e+00 -1.1565530000e+00  1.2742660000e+00 -1.4928430000e+00  8.8322700000e-01 -5.5064800000e-01 -1.0607960000e+00  1.7732600000e-01 -6.9741000000e-02 -1.5576720000e+00  1.5993830000e+00  8.1134000000e-02
+ENERGY -1.526577745673e+02
+FORCES  5.9513000000e-03  1.3708000000e-03  1.8265000000e-03 -2.2983000000e-03 -3.6641000000e-03  1.9591000000e-03 -1.8377000000e-03  1.4499000000e-03 -3.6141000000e-03  2.0841000000e-03 -1.8246000000e-03  4.7413000000e-03 -4.4684000000e-03  5.1083000000e-03 -2.4533000000e-03  5.6910000000e-04 -2.4404000000e-03 -2.4594000000e-03
+
+JOB 40
+COORDS  1.6383620000e+00 -5.4550900000e-01 -2.0732200000e-01  1.6735560000e+00 -1.4630360000e+00  6.3117000000e-02  1.9405730000e+00 -5.5124900000e-01 -1.1155440000e+00 -1.7269670000e+00  5.8024100000e-01  2.3580200000e-01 -1.0174300000e+00  1.1406000000e-02  5.3449100000e-01 -1.3068840000e+00  1.4260230000e+00  7.9551000000e-02
+ENERGY -1.526575951005e+02
+FORCES  3.0614000000e-03 -4.0164000000e-03 -4.0855000000e-03 -9.8030000000e-04  4.2377000000e-03 -9.3400000000e-04 -8.3820000000e-04 -1.1360000000e-04  4.1204000000e-03  7.2879000000e-03  8.2640000000e-04  8.2600000000e-05 -5.7878000000e-03  1.3552000000e-03  4.0470000000e-04 -2.7431000000e-03 -2.2894000000e-03  4.1190000000e-04
+
+JOB 41
+COORDS -6.4459500000e-01 -1.6318020000e+00 -3.7290300000e-01  2.4437300000e-01 -1.9532750000e+00 -2.2249400000e-01 -6.4616700000e-01 -1.3495100000e+00 -1.2875290000e+00  6.2918200000e-01  1.6042000000e+00  4.4782100000e-01 -3.2752100000e-01  1.5930690000e+00  4.1905800000e-01  8.8188900000e-01  2.2432930000e+00 -2.1846100000e-01
+ENERGY -1.526550106064e+02
+FORCES  5.5220000000e-03  6.0560000000e-04 -2.4109000000e-03 -4.0377000000e-03 -6.9300000000e-05 -1.1390000000e-03 -7.1300000000e-04 -9.8650000000e-04  3.3946000000e-03 -4.1046000000e-03  1.6720000000e-03 -1.9134000000e-03  4.3161000000e-03  1.8867000000e-03 -1.9750000000e-04 -9.8290000000e-04 -3.1085000000e-03  2.2663000000e-03
+
+JOB 42
+COORDS -1.4562820000e+00  7.4865200000e-01 -6.2317200000e-01 -2.0962770000e+00  3.6729500000e-01 -1.2241750000e+00 -1.9515140000e+00  9.1963600000e-01  1.7791600000e-01  1.5254330000e+00 -7.8306100000e-01  6.6479700000e-01  2.1958450000e+00 -1.6714600000e-01  3.6911600000e-01  7.7090700000e-01 -6.0414000000e-01  1.0362700000e-01
+ENERGY -1.526588210315e+02
+FORCES -6.7292000000e-03  6.4120000000e-04  7.7740000000e-04  2.8605000000e-03  1.5881000000e-03  2.7973000000e-03  1.9570000000e-03 -8.8310000000e-04 -3.9430000000e-03 -2.0229000000e-03  4.2682000000e-03 -4.3253000000e-03 -1.9620000000e-03 -2.4428000000e-03  1.3074000000e-03  5.8966000000e-03 -3.1717000000e-03  3.3862000000e-03
+
+JOB 43
+COORDS  6.0790400000e-01 -7.1001800000e-01  1.5329140000e+00  1.3283480000e+00 -1.3306190000e+00  1.4231490000e+00  1.0076600000e+00  1.4865200000e-01  1.3946660000e+00 -7.3223200000e-01  7.2698200000e-01 -1.5336210000e+00 -1.3367600000e-01  9.6723200000e-01 -8.2634300000e-01 -2.8362000000e-01  2.0374000000e-02 -1.9980390000e+00
+ENERGY -1.526530384878e+02
+FORCES  4.7513000000e-03  4.0000000000e-07  8.7490000000e-04 -3.3253000000e-03  2.8745000000e-03  6.3200000000e-05 -2.5896000000e-03 -3.2430000000e-03 -1.6480000000e-03  3.7819000000e-03 -3.9543000000e-03  2.6275000000e-03 -1.0462000000e-03  1.0184000000e-03 -2.8852000000e-03 -1.5721000000e-03  3.3041000000e-03  9.6750000000e-04
+
+JOB 44
+COORDS  1.7859900000e+00 -5.2170000000e-02  3.5902000000e-01  1.0008700000e+00 -2.1251700000e-01 -1.6453200000e-01  2.4055620000e+00 -7.2401500000e-01  7.4435000000e-02 -1.7381250000e+00  1.2854800000e-01 -3.6343000000e-01 -2.1551430000e+00  5.6449500000e-01  3.7972500000e-01 -1.9081990000e+00 -8.0269700000e-01 -2.2169100000e-01
+ENERGY -1.526574310418e+02
+FORCES -2.1543000000e-03 -2.0244000000e-03 -3.8797000000e-03  6.6198000000e-03 -1.3401000000e-03  2.6313000000e-03 -2.7263000000e-03  2.3191000000e-03  1.1011000000e-03 -4.9240000000e-03 -6.3990000000e-04  4.5586000000e-03  1.1627000000e-03 -2.2738000000e-03 -3.5222000000e-03  2.0222000000e-03  3.9591000000e-03 -8.8920000000e-04
+
+JOB 45
+COORDS  1.0286010000e+00  2.5617500000e-01 -1.4124000000e+00  1.1322370000e+00  7.5177600000e-01 -2.2247240000e+00  1.9153420000e+00 -2.6790000000e-02 -1.1891200000e+00 -1.1333390000e+00 -2.8942300000e-01  1.4713520000e+00 -6.7310400000e-01 -6.4236400000e-01  7.0987400000e-01 -6.0536100000e-01  4.6086200000e-01  1.7443780000e+00
+ENERGY -1.526574446121e+02
+FORCES  4.2034000000e-03  1.7421000000e-03 -4.4868000000e-03  2.6580000000e-04 -2.1668000000e-03  3.4683000000e-03 -4.1997000000e-03  1.1915000000e-03 -4.2910000000e-04  4.5812000000e-03  2.4737000000e-03 -4.3515000000e-03 -2.7015000000e-03 -4.2460000000e-04  5.4676000000e-03 -2.1492000000e-03 -2.8159000000e-03  3.3150000000e-04
+
+JOB 46
+COORDS  1.7041210000e+00  5.4081700000e-01  4.8188700000e-01  9.7384000000e-01  5.3331400000e-01  1.1006480000e+00  2.1647080000e+00 -2.8242500000e-01  6.4425200000e-01 -1.7026750000e+00 -4.4098400000e-01 -4.9981200000e-01 -2.1191160000e+00 -1.2793500000e+00 -2.9993600000e-01 -1.0368910000e+00 -6.5362000000e-01 -1.1538370000e+00
+ENERGY -1.526561137533e+02
+FORCES -2.2038000000e-03 -2.6589000000e-03  4.0213000000e-03  4.8643000000e-03  7.3700000000e-05 -1.8957000000e-03 -1.9795000000e-03  3.0131000000e-03 -1.1295000000e-03  1.0888000000e-03 -3.7622000000e-03 -3.3774000000e-03  2.1342000000e-03  3.4274000000e-03 -4.5510000000e-04 -3.9040000000e-03 -9.3100000000e-05  2.8364000000e-03
+
+JOB 47
+COORDS  1.4789250000e+00  8.9529200000e-01 -5.3365700000e-01  2.3027460000e+00  1.2017130000e+00 -9.1267800000e-01  1.7355080000e+00  1.8862400000e-01  5.8810000000e-02 -1.5197910000e+00 -9.2707800000e-01  5.0751800000e-01 -1.1327420000e+00 -7.3864000000e-02  3.1143000000e-01 -2.3479840000e+00 -7.2100300000e-01  9.4094700000e-01
+ENERGY -1.526571994085e+02
+FORCES  5.7686000000e-03 -1.6513000000e-03 -1.4320000000e-04 -3.0232000000e-03 -1.4503000000e-03  1.7949000000e-03 -1.4604000000e-03  3.8751000000e-03 -2.4587000000e-03 -1.8220000000e-03  5.0531000000e-03 -7.7700000000e-05 -2.6526000000e-03 -5.0224000000e-03  2.5925000000e-03  3.1895000000e-03 -8.0420000000e-04 -1.7076000000e-03
+
+JOB 48
+COORDS  1.3668050000e+00 -6.9293200000e-01  1.0376960000e+00  1.4485450000e+00 -1.6293230000e+00  1.2185840000e+00  6.6945100000e-01 -3.9559400000e-01  1.6220920000e+00 -1.3675760000e+00  6.9824300000e-01 -1.1372270000e+00 -1.7737420000e+00  9.5120800000e-01 -3.0821000000e-01 -4.3146500000e-01  8.4349700000e-01 -1.0000080000e+00
+ENERGY -1.526553943337e+02
+FORCES -2.1430000000e-03 -4.4424000000e-03  3.4033000000e-03 -1.3240000000e-04  4.0615000000e-03 -2.3520000000e-04  2.5784000000e-03 -2.5590000000e-04 -3.0166000000e-03  3.6204000000e-03  1.0415000000e-03  3.5616000000e-03  1.5492000000e-03 -1.2492000000e-03 -2.7204000000e-03 -5.4727000000e-03  8.4450000000e-04 -9.9270000000e-04
+
+JOB 49
+COORDS  1.6025670000e+00 -1.0713300000e+00  2.0910500000e-01  1.5261610000e+00 -8.6419300000e-01 -7.2228500000e-01  7.0476400000e-01 -1.0303640000e+00  5.3850400000e-01 -1.5406210000e+00  1.0528410000e+00 -2.3434400000e-01 -2.3575370000e+00  1.2629010000e+00  2.1815400000e-01 -9.0212300000e-01  9.2938500000e-01  4.6801700000e-01
+ENERGY -1.526549319875e+02
+FORCES -4.0339000000e-03 -2.5820000000e-04 -4.0472000000e-03  1.0465000000e-03 -9.3230000000e-04  4.3825000000e-03  3.7835000000e-03  1.7074000000e-03  1.3720000000e-04 -1.7388000000e-03  2.2798000000e-03  4.8384000000e-03  3.6659000000e-03 -9.6710000000e-04 -1.8792000000e-03 -2.7231000000e-03 -1.8295000000e-03 -3.4317000000e-03
+
+JOB 50
+COORDS  9.1592900000e-01  1.2841730000e+00  1.1967690000e+00  3.8220700000e-01  6.6419400000e-01  1.6937590000e+00  8.4028900000e-01  9.9171000000e-01  2.8848700000e-01 -8.9197100000e-01 -1.2514980000e+00 -1.1166500000e+00 -8.3435000000e-02 -1.3726830000e+00 -1.6144600000e+00 -1.4547870000e+00 -7.3640600000e-01 -1.6947060000e+00
+ENERGY -1.526563276692e+02
+FORCES -3.7993000000e-03 -5.0456000000e-03 -1.9695000000e-03  2.6902000000e-03  3.2143000000e-03 -8.1370000000e-04  1.9302000000e-03  2.5025000000e-03  3.0014000000e-03 -5.3710000000e-04 -2.9810000000e-04 -5.7704000000e-03 -3.2277000000e-03  1.6329000000e-03  2.8526000000e-03  2.9437000000e-03 -2.0060000000e-03  2.6994000000e-03
+
+JOB 51
+COORDS  1.3142440000e+00  7.2871800000e-01  1.3040310000e+00  8.1233400000e-01 -7.3789000000e-02  1.4465110000e+00  7.9913100000e-01  1.4130070000e+00  1.7313950000e+00 -1.2469850000e+00 -7.9386500000e-01 -1.3293480000e+00 -2.0285810000e+00 -2.7203300000e-01 -1.1476060000e+00 -5.9940300000e-01 -1.5810500000e-01 -1.6337800000e+00
+ENERGY -1.526559662216e+02
+FORCES -4.1312000000e-03 -1.4492000000e-03  2.8857000000e-03  2.6789000000e-03  4.1491000000e-03  6.5800000000e-05  1.9369000000e-03 -2.5710000000e-03 -2.0560000000e-03 -8.9700000000e-05  5.0815000000e-03 -1.5667000000e-03  3.1876000000e-03 -2.1702000000e-03 -2.8040000000e-04 -3.5825000000e-03 -3.0403000000e-03  9.5160000000e-04
+
+JOB 52
+COORDS -2.8355500000e-01  1.7368310000e+00  9.7746200000e-01  4.3715600000e-01  1.3387450000e+00  1.4656580000e+00  1.2660600000e-01  2.4414860000e+00  4.7600300000e-01  2.7607300000e-01 -1.7760690000e+00 -9.6410600000e-01  6.0487000000e-02 -1.1253650000e+00 -1.6321920000e+00 -5.6290300000e-01 -1.9857490000e+00 -5.5375800000e-01
+ENERGY -1.526554017883e+02
+FORCES  5.2853000000e-03  8.1570000000e-04  3.1890000000e-04 -3.2126000000e-03  2.3461000000e-03 -1.5941000000e-03 -1.8189000000e-03 -2.8818000000e-03  1.7558000000e-03 -5.1267000000e-03  2.8126000000e-03 -6.1870000000e-04  1.3353000000e-03 -3.0952000000e-03  1.9417000000e-03  3.5375000000e-03  2.5000000000e-06 -1.8037000000e-03
+
+JOB 53
+COORDS  1.5509770000e+00  8.5164200000e-01 -1.1474650000e+00  2.1690910000e+00  1.4188600000e-01 -9.7306900000e-01  7.8469700000e-01  6.3884500000e-01 -6.1477100000e-01 -1.4781590000e+00 -7.9885000000e-01  1.1019880000e+00 -1.9954270000e+00 -6.7777000000e-01  1.8982330000e+00 -2.1263860000e+00 -9.6581800000e-01  4.1776900000e-01
+ENERGY -1.526570053719e+02
+FORCES -1.2683000000e-03 -4.1123000000e-03  3.9853000000e-03 -1.9485000000e-03  2.8301000000e-03 -1.0683000000e-03  4.0954000000e-03  1.7909000000e-03 -3.9161000000e-03 -5.8586000000e-03 -7.2710000000e-04  1.6437000000e-03  1.9029000000e-03 -7.4880000000e-04 -3.4872000000e-03  3.0771000000e-03  9.6720000000e-04  2.8426000000e-03
+
+JOB 54
+COORDS -1.2860780000e+00  8.4937400000e-01 -1.4849010000e+00 -3.5670600000e-01  6.4203600000e-01 -1.5824170000e+00 -1.5620510000e+00  3.5676400000e-01 -7.1198000000e-01  1.1865490000e+00 -8.0875600000e-01  1.4380450000e+00  1.7243890000e+00 -1.5216850000e+00  1.7825630000e+00  1.8127390000e+00 -1.1643900000e-01  1.2263480000e+00
+ENERGY -1.526559210918e+02
+FORCES  2.8511000000e-03 -3.8142000000e-03  3.6632000000e-03 -3.3428000000e-03  1.6781000000e-03 -3.7590000000e-04  1.4270000000e-04  2.5792000000e-03 -3.8164000000e-03  5.3907000000e-03 -5.5290000000e-04  1.8097000000e-03 -2.1275000000e-03  3.1441000000e-03 -1.4704000000e-03 -2.9142000000e-03 -3.0342000000e-03  1.8980000000e-04
+
+JOB 55
+COORDS  8.8331800000e-01  1.8241910000e+00  3.6071500000e-01  3.1174900000e-01  2.3035740000e+00  9.6049300000e-01  1.6311130000e+00  1.5637570000e+00  8.9849600000e-01 -9.4815100000e-01 -1.8722590000e+00 -4.1978000000e-01 -3.0446500000e-01 -1.9151910000e+00  2.8736700000e-01 -6.0605000000e-01 -1.2057440000e+00 -1.0155630000e+00
+ENERGY -1.526556975528e+02
+FORCES  6.2550000000e-04  2.2691000000e-03  5.0104000000e-03  2.7021000000e-03 -2.0362000000e-03 -2.4556000000e-03 -3.3281000000e-03  4.7980000000e-04 -2.3435000000e-03  4.3957000000e-03  3.9472000000e-03  3.5330000000e-04 -2.5416000000e-03 -6.6500000000e-04 -2.3465000000e-03 -1.8536000000e-03 -3.9948000000e-03  1.7819000000e-03
+
+JOB 56
+COORDS  1.9307380000e+00  2.8834100000e-01  8.9858400000e-01  2.2704840000e+00 -4.1478700000e-01  3.4503600000e-01  1.1581910000e+00  6.0844000000e-01  4.3281700000e-01 -1.9157270000e+00 -3.2213900000e-01 -8.0756000000e-01 -1.0918350000e+00  1.2488500000e-01 -1.0014750000e+00 -2.5863230000e+00  2.1931900000e-01 -1.2239210000e+00
+ENERGY -1.526526230591e+02
+FORCES -1.7791000000e-03 -2.2337000000e-03 -3.2726000000e-03 -1.4955000000e-03  3.3804000000e-03  2.0760000000e-03  2.8543000000e-03 -1.0891000000e-03  4.7530000000e-04 -6.3310000000e-04  4.0938000000e-03 -2.9981000000e-03 -1.9305000000e-03 -1.6950000000e-03  1.9035000000e-03  2.9839000000e-03 -2.4563000000e-03  1.8159000000e-03
+
+JOB 57
+COORDS  1.3904730000e+00  1.1849700000e+00 -1.0353200000e+00  1.9912490000e+00  1.5652310000e+00 -1.6761810000e+00  1.9372120000e+00  1.0066620000e+00 -2.7013100000e-01 -1.4261280000e+00 -1.2302740000e+00  1.0745130000e+00 -2.3249190000e+00 -9.0114600000e-01  1.0835150000e+00 -1.0914840000e+00 -9.9073500000e-01  2.1029900000e-01
+ENERGY -1.526560942182e+02
+FORCES  5.2821000000e-03  1.3631000000e-03  5.9120000000e-04 -2.3751000000e-03 -1.5098000000e-03  2.7262000000e-03 -2.2244000000e-03  7.1860000000e-04 -3.6130000000e-03 -2.0035000000e-03  2.9228000000e-03 -4.1163000000e-03  3.3461000000e-03 -1.4844000000e-03  1.1860000000e-04 -2.0252000000e-03 -2.0103000000e-03  4.2933000000e-03
+
+JOB 58
+COORDS  1.6871720000e+00 -1.3463250000e+00  3.7241300000e-01  2.3683010000e+00 -7.5618100000e-01  6.9494000000e-01  9.3788600000e-01 -7.7630400000e-01  1.9955800000e-01 -1.7134830000e+00  1.2355280000e+00 -4.2510000000e-01 -1.9073050000e+00  1.4138720000e+00  4.9514900000e-01 -1.0066280000e+00  1.8428740000e+00 -6.4354900000e-01
+ENERGY -1.526550001748e+02
+FORCES -1.0580000000e-03  4.3129000000e-03  1.4050000000e-04 -2.8563000000e-03 -2.1114000000e-03 -1.2789000000e-03  4.7259000000e-03 -2.2623000000e-03  1.4216000000e-03 -2.1200000000e-05  4.6010000000e-03  2.3353000000e-03  1.5214000000e-03 -1.0421000000e-03 -4.0396000000e-03 -2.3119000000e-03 -3.4980000000e-03  1.4211000000e-03
+
+JOB 59
+COORDS  1.8828930000e+00 -3.9091500000e-01 -1.0642280000e+00  1.3466640000e+00 -7.9142300000e-01 -1.7485410000e+00  1.9836780000e+00 -1.0779600000e+00 -4.0540800000e-01 -1.8619980000e+00  4.5949700000e-01  1.1366580000e+00 -2.5168170000e+00 -6.2146000000e-02  6.7261900000e-01 -1.2018600000e+00  6.6113100000e-01  4.7348900000e-01
+ENERGY -1.526551844008e+02
+FORCES -1.3960000000e-04 -5.1783000000e-03 -2.6430000000e-04  1.5422000000e-03  2.1030000000e-03  3.2086000000e-03 -6.9280000000e-04  3.0426000000e-03 -3.0760000000e-03  5.0240000000e-04 -5.6530000000e-04 -4.6507000000e-03  2.7534000000e-03  1.8500000000e-03  1.7911000000e-03 -3.9656000000e-03 -1.2520000000e-03  2.9913000000e-03
+
+JOB 60
+COORDS -9.6292400000e-01 -2.0383360000e+00  3.3880800000e-01 -9.7025900000e-01 -1.2937630000e+00  9.4029700000e-01 -1.0266500000e+00 -1.6445700000e+00 -5.3131800000e-01  9.3991300000e-01  1.9358590000e+00 -2.5971600000e-01  1.2182700000e+00  1.5219540000e+00 -1.0766810000e+00  1.0925540000e+00  2.8703440000e+00 -3.9997100000e-01
+ENERGY -1.526552726771e+02
+FORCES -9.6200000000e-05  5.5256000000e-03 -6.5120000000e-04 -4.7210000000e-04 -3.9109000000e-03 -2.2677000000e-03  3.5230000000e-04 -2.0443000000e-03  2.9315000000e-03  2.5926000000e-03  2.8420000000e-03 -3.8152000000e-03 -1.7615000000e-03  1.5292000000e-03  3.3345000000e-03 -6.1510000000e-04 -3.9417000000e-03  4.6810000000e-04
+
+JOB 61
+COORDS -3.8015400000e-01 -2.0130680000e+00  9.6602600000e-01 -8.9791900000e-01 -2.5454590000e+00  3.6211400000e-01 -1.2719200000e-01 -1.2456040000e+00  4.5295500000e-01  3.8987500000e-01  1.9921730000e+00 -8.3203800000e-01  9.6190600000e-01  1.5098190000e+00 -1.4289860000e+00 -7.5809000000e-02  2.6115510000e+00 -1.3939460000e+00
+ENERGY -1.526550285240e+02
+FORCES -1.3468000000e-03  2.0287000000e-03 -4.2152000000e-03  2.1527000000e-03  1.9780000000e-03  2.2949000000e-03 -5.8230000000e-04 -4.7252000000e-03  1.7554000000e-03  6.3180000000e-04  2.2974000000e-03 -4.9486000000e-03 -2.9634000000e-03  1.1337000000e-03  2.8756000000e-03  2.1079000000e-03 -2.7127000000e-03  2.2379000000e-03
+
+JOB 62
+COORDS  1.7640980000e+00 -1.3775360000e+00 -5.5179100000e-01  1.0232560000e+00 -8.2787900000e-01 -8.0725600000e-01  2.0616700000e+00 -1.0080030000e+00  2.7955000000e-01 -1.7149580000e+00  1.3529720000e+00  4.6115700000e-01 -1.7147010000e+00  1.6709950000e+00  1.3639820000e+00 -2.1455560000e+00  4.9935200000e-01  5.0752800000e-01
+ENERGY -1.526554922803e+02
+FORCES -1.8934000000e-03  4.6965000000e-03  2.0988000000e-03  3.2188000000e-03 -3.3987000000e-03  8.7690000000e-04 -9.7020000000e-04 -1.9052000000e-03 -3.0634000000e-03 -3.0854000000e-03 -1.3829000000e-03  4.2962000000e-03  1.9140000000e-04 -1.4987000000e-03 -3.8177000000e-03  2.5388000000e-03  3.4890000000e-03 -3.9090000000e-04
+
+JOB 63
+COORDS -1.7186000000e-02 -1.4582300000e-01 -2.2554270000e+00  7.2722700000e-01  6.9442000000e-02 -2.8173360000e+00  3.6771200000e-01 -2.8555000000e-01 -1.3902330000e+00 -3.7664000000e-02  1.9520700000e-01  2.2443610000e+00 -8.7940500000e-01 -2.5909900000e-01  2.2805550000e+00  6.0910500000e-01 -5.0466200000e-01  2.1543410000e+00
+ENERGY -1.526545390471e+02
+FORCES  4.5360000000e-03  1.1952000000e-03  1.6352000000e-03 -2.9717000000e-03 -1.0407000000e-03  2.2234000000e-03 -1.3253000000e-03 -5.6410000000e-04 -4.1227000000e-03 -1.5590000000e-03 -4.5128000000e-03  1.1761000000e-03  3.8925000000e-03  1.8060000000e-03 -2.3290000000e-04 -2.5725000000e-03  3.1164000000e-03 -6.7910000000e-04
+
+JOB 64
+COORDS  1.3794780000e+00  1.1960200000e-01 -1.8588710000e+00  6.4468500000e-01 -4.2778200000e-01 -1.5819550000e+00  1.1981770000e+00  9.7719100000e-01 -1.4742910000e+00 -1.3638790000e+00 -9.9089000000e-02  1.8689440000e+00 -7.4312700000e-01 -8.0108000000e-01  2.0641560000e+00 -1.3790950000e+00 -5.1122000000e-02  9.1306800000e-01
+ENERGY -1.526531602790e+02
+FORCES -3.1619000000e-03  1.7259000000e-03  2.0968000000e-03  2.5898000000e-03  2.3392000000e-03 -3.2700000000e-04  4.1380000000e-04 -4.0968000000e-03 -1.5967000000e-03  2.1550000000e-03 -3.0280000000e-03 -2.2635000000e-03 -2.7601000000e-03  3.1237000000e-03 -1.2181000000e-03  7.6330000000e-04 -6.3900000000e-05  3.3086000000e-03
+
+JOB 65
+COORDS -7.0325800000e-01  1.0374450000e+00 -1.8465010000e+00 -8.8750100000e-01  1.5365670000e+00 -2.6422170000e+00 -1.2090300000e+00  1.4785880000e+00 -1.1639910000e+00  7.2662300000e-01 -1.0245450000e+00  1.8384710000e+00  1.4458250000e+00 -1.5819620000e+00  1.5413740000e+00  2.0804300000e-01 -1.5877560000e+00  2.4130150000e+00
+ENERGY -1.526539494630e+02
+FORCES -2.6684000000e-03  3.7760000000e-03  4.9910000000e-04  8.3130000000e-04 -2.1410000000e-03  3.1666000000e-03  1.5943000000e-03 -1.4245000000e-03 -3.4629000000e-03  1.0508000000e-03 -4.7768000000e-03  2.5610000000e-04 -2.7977000000e-03  2.1096000000e-03  1.7608000000e-03  1.9897000000e-03  2.4567000000e-03 -2.2197000000e-03
+
+JOB 66
+COORDS -1.1032840000e+00 -4.1816000000e-01 -1.8659240000e+00 -1.7187940000e+00 -1.0049350000e+00 -2.3053270000e+00 -6.0591700000e-01 -1.5382000000e-02 -2.5777020000e+00  1.1022890000e+00  4.0418500000e-01  1.8848980000e+00  1.3678080000e+00 -5.0200000000e-04  2.7107060000e+00  1.0534460000e+00  1.3398200000e+00  2.0809390000e+00
+ENERGY -1.526529039861e+02
+FORCES  6.5200000000e-05 -8.3500000000e-04 -4.3739000000e-03  2.4493000000e-03  2.3962000000e-03  1.8716000000e-03 -2.2617000000e-03 -1.5283000000e-03  2.7337000000e-03  2.9980000000e-04  2.1287000000e-03  3.9086000000e-03 -1.0249000000e-03  1.5991000000e-03 -3.3988000000e-03  4.7240000000e-04 -3.7607000000e-03 -7.4110000000e-04
+
+JOB 67
+COORDS -8.6824500000e-01  1.6179060000e+00  1.3526220000e+00 -1.6711140000e+00  1.2587170000e+00  9.7497500000e-01 -6.2908200000e-01  2.3372890000e+00  7.6822400000e-01  9.4716500000e-01 -1.6488960000e+00 -1.3412230000e+00  6.5367100000e-01 -7.8099100000e-01 -1.0640320000e+00  3.2952100000e-01 -2.2537130000e+00 -9.3019500000e-01
+ENERGY -1.526546718524e+02
+FORCES -2.9697000000e-03  2.8868000000e-03 -2.7563000000e-03  3.9923000000e-03  8.9080000000e-04  1.1323000000e-03 -8.8780000000e-04 -3.6301000000e-03  2.1611000000e-03 -3.3114000000e-03  1.2240000000e-03  3.7961000000e-03  9.1900000000e-04 -3.6882000000e-03 -2.3165000000e-03  2.2575000000e-03  2.3166000000e-03 -2.0166000000e-03
+
+JOB 68
+COORDS -7.5365000000e-01  1.7269440000e+00 -1.3304610000e+00 -1.3434500000e+00  2.0782350000e+00 -1.9975160000e+00 -1.3276540000e+00  1.2550700000e+00 -7.2706500000e-01  8.6835700000e-01 -1.7032940000e+00  1.3707400000e+00  6.3786300000e-01 -2.5701860000e+00  1.0366710000e+00  1.4009000000e-01 -1.1420700000e+00  1.1044940000e+00
+ENERGY -1.526532331159e+02
+FORCES -4.8940000000e-03  2.9530000000e-04 -7.4750000000e-04  2.5018000000e-03 -1.5221000000e-03  2.8387000000e-03  2.8248000000e-03  1.0171000000e-03 -2.0341000000e-03 -3.3955000000e-03 -1.0128000000e-03 -2.9865000000e-03  8.1610000000e-04  3.5431000000e-03  1.5178000000e-03  2.1469000000e-03 -2.3206000000e-03  1.4116000000e-03
+
+JOB 69
+COORDS  1.0519860000e+00  1.0913500000e+00 -1.9265260000e+00  1.8795870000e+00  6.1520600000e-01 -1.8587340000e+00  5.1432500000e-01  5.5616600000e-01 -2.5102470000e+00 -1.1149030000e+00 -1.0239990000e+00  1.9025640000e+00 -1.2974590000e+00 -1.4547690000e+00  2.7376340000e+00 -1.7104900000e-01 -8.6525700000e-01  1.9157030000e+00
+ENERGY -1.526541366335e+02
+FORCES  5.9840000000e-04 -4.1378000000e-03 -2.4028000000e-03 -3.3124000000e-03  1.9085000000e-03  8.3200000000e-05  2.5613000000e-03  2.2770000000e-03  2.1826000000e-03  3.2242000000e-03 -4.8850000000e-04  3.3641000000e-03  7.4030000000e-04  1.7006000000e-03 -3.4453000000e-03 -3.8117000000e-03 -1.2599000000e-03  2.1830000000e-04
+
+JOB 70
+COORDS  1.0385040000e+00  5.5147100000e-01  2.1960210000e+00  1.7379040000e+00  1.2047020000e+00  2.2150060000e+00  3.7451700000e-01  9.2752200000e-01  1.6181470000e+00 -1.0229170000e+00 -5.6438500000e-01 -2.2098390000e+00 -4.5511200000e-01 -1.1496620000e+00 -1.7085610000e+00 -1.9078430000e+00 -7.7553000000e-01 -1.9122570000e+00
+ENERGY -1.526550285107e+02
+FORCES  2.7780000000e-04  4.6825000000e-03 -2.2718000000e-03 -2.8302000000e-03 -2.7025000000e-03  2.4100000000e-05  2.6914000000e-03 -1.9584000000e-03  2.6386000000e-03 -1.2532000000e-03 -3.9530000000e-03  2.8086000000e-03 -2.5461000000e-03  2.7946000000e-03 -2.1242000000e-03  3.6604000000e-03  1.1368000000e-03 -1.0752000000e-03
+
+JOB 71
+COORDS -2.2556720000e+00 -1.1462240000e+00  2.8479400000e-01 -1.5174350000e+00 -7.5106700000e-01  7.4857000000e-01 -2.2111420000e+00 -7.7605000000e-01 -5.9680800000e-01  2.1597270000e+00  1.0960850000e+00 -2.2422200000e-01  2.7661800000e+00  4.1301600000e-01 -5.1034000000e-01  2.5525410000e+00  1.9115550000e+00 -5.3557200000e-01
+ENERGY -1.526554617866e+02
+FORCES  3.7926000000e-03  3.6189000000e-03 -1.6425000000e-03 -3.6000000000e-03 -2.1214000000e-03 -1.6071000000e-03 -6.2320000000e-04 -1.7434000000e-03  3.2957000000e-03  4.6986000000e-03  8.3680000000e-04 -2.3925000000e-03 -2.6605000000e-03  2.8486000000e-03  1.1419000000e-03 -1.6075000000e-03 -3.4394000000e-03  1.2045000000e-03
+
+JOB 72
+COORDS  2.4317870000e+00  4.1607000000e-01  4.4607900000e-01  3.0549850000e+00 -1.4477700000e-01  9.0793200000e-01  1.6811970000e+00  4.7810900000e-01  1.0368400000e+00 -2.4646060000e+00 -4.3460300000e-01 -4.6995100000e-01 -1.6230700000e+00 -5.6761500000e-01 -9.0625000000e-01 -2.6676330000e+00  4.8923700000e-01 -6.1668700000e-01
+ENERGY -1.526549865301e+02
+FORCES -5.2900000000e-05 -2.0471000000e-03  4.7823000000e-03 -2.5583000000e-03  2.3342000000e-03 -1.9193000000e-03  3.0097000000e-03 -2.0550000000e-04 -2.9181000000e-03  2.4641000000e-03  3.1251000000e-03 -3.0709000000e-03 -3.7065000000e-03  5.4900000000e-04  2.2644000000e-03  8.4380000000e-04 -3.7557000000e-03  8.6160000000e-04
+
+JOB 73
+COORDS  1.0648960000e+00  7.3481800000e-01  2.1581920000e+00  8.5554300000e-01  1.4393250000e+00  2.7714410000e+00  7.6608500000e-01  1.0593890000e+00  1.3087240000e+00 -1.0917380000e+00 -7.7935100000e-01 -2.1054940000e+00 -6.4655000000e-01 -1.0853000000e-01 -2.6232170000e+00 -6.0375700000e-01 -1.5832790000e+00 -2.2838370000e+00
+ENERGY -1.526544485826e+02
+FORCES -2.7186000000e-03  3.8827000000e-03 -1.1671000000e-03  9.6140000000e-04 -2.7807000000e-03 -2.4436000000e-03  1.9095000000e-03 -8.3940000000e-04  3.6387000000e-03  3.6429000000e-03 -1.2996000000e-03 -3.1214000000e-03 -1.7414000000e-03 -2.4460000000e-03  2.5484000000e-03 -2.0538000000e-03  3.4828000000e-03  5.4510000000e-04
+
+JOB 74
+COORDS  1.4573920000e+00 -9.1721000000e-02  2.0606870000e+00  1.6354140000e+00  5.5595100000e-01  1.3787320000e+00  2.0415080000e+00 -8.2201100000e-01  1.8564400000e+00 -1.5671710000e+00  1.2869700000e-01 -2.0058870000e+00 -1.3302950000e+00 -7.9494300000e-01 -1.9221560000e+00 -7.4952000000e-01  5.6547400000e-01 -2.2444320000e+00
+ENERGY -1.526535574290e+02
+FORCES  2.9964000000e-03 -5.1400000000e-05 -3.2412000000e-03 -5.5240000000e-04 -2.8569000000e-03  2.5309000000e-03 -2.5272000000e-03  2.9654000000e-03  5.9870000000e-04  3.9690000000e-03 -2.1976000000e-03 -3.5960000000e-04 -8.0940000000e-04  3.8512000000e-03 -6.4190000000e-04 -3.0765000000e-03 -1.7107000000e-03  1.1131000000e-03
+
+JOB 75
+COORDS  1.4973230000e+00 -1.8851880000e+00  8.4805800000e-01  1.1127890000e+00 -1.0110630000e+00  7.8269400000e-01  2.3644990000e+00 -1.7382630000e+00  1.2257480000e+00 -1.5367970000e+00  1.8293090000e+00 -7.9926300000e-01 -1.7961070000e+00  1.1294320000e+00 -1.3985640000e+00 -1.0913160000e+00  2.4685700000e+00 -1.3552530000e+00
+ENERGY -1.526551048591e+02
+FORCES  1.6214000000e-03  4.4702000000e-03  1.5529000000e-03  2.0879000000e-03 -4.1422000000e-03  1.0380000000e-04 -3.3813000000e-03 -6.4010000000e-04 -1.5773000000e-03 -3.6900000000e-05  9.2100000000e-05 -5.1608000000e-03  1.3606000000e-03  2.9603000000e-03  2.6496000000e-03 -1.6516000000e-03 -2.7403000000e-03  2.4317000000e-03
+
+JOB 76
+COORDS -5.4840000000e-01  6.6108700000e-01 -2.3750500000e+00 -1.2170280000e+00  3.1146000000e-02 -2.1060850000e+00 -1.0354720000e+00  1.3491490000e+00 -2.8284420000e+00  6.2231400000e-01 -6.0280900000e-01  2.3844570000e+00  8.8065400000e-01 -1.2001530000e+00  1.6825510000e+00  2.9708700000e-01 -1.1752970000e+00  3.0792350000e+00
+ENERGY -1.526539916387e+02
+FORCES -4.8435000000e-03  7.4100000000e-04 -3.7810000000e-04  2.8639000000e-03  2.2234000000e-03 -1.2712000000e-03  1.9525000000e-03 -2.8920000000e-03  1.6764000000e-03  1.6260000000e-04 -4.5588000000e-03 -3.5670000000e-04 -1.3209000000e-03  2.1205000000e-03  3.2059000000e-03  1.1854000000e-03  2.3659000000e-03 -2.8763000000e-03
+
+JOB 77
+COORDS  6.5734300000e-01  2.0885330000e+00 -1.3243870000e+00  1.1925260000e+00  2.8283790000e+00 -1.6115060000e+00 -1.9188000000e-01  2.2299780000e+00 -1.7427730000e+00 -6.4947400000e-01 -2.1943490000e+00  1.3731140000e+00 -2.0333700000e-01 -1.6040780000e+00  1.9803810000e+00 -8.2955600000e-01 -1.6551370000e+00  6.0301500000e-01
+ENERGY -1.526549608463e+02
+FORCES -8.4560000000e-04  4.0457000000e-03 -3.2182000000e-03 -2.3142000000e-03 -2.9901000000e-03  1.1568000000e-03  3.3929000000e-03 -8.6830000000e-04  1.9382000000e-03  1.6326000000e-03  5.0544000000e-03 -9.7310000000e-04 -1.9785000000e-03 -2.6609000000e-03 -2.0552000000e-03  1.1270000000e-04 -2.5807000000e-03  3.1514000000e-03
+
+JOB 78
+COORDS  2.1602490000e+00  1.2596670000e+00  9.7833900000e-01  1.6751060000e+00  1.8243130000e+00  3.7663800000e-01  2.5822450000e+00  6.1283300000e-01  4.1286800000e-01 -2.1170770000e+00 -1.3015910000e+00 -9.3611700000e-01 -2.2890430000e+00 -1.1220990000e+00 -1.1756000000e-02 -2.6451920000e+00 -6.5760400000e-01 -1.4079290000e+00
+ENERGY -1.526545552768e+02
+FORCES -2.5570000000e-04 -7.0510000000e-04 -5.0544000000e-03  1.8864000000e-03 -2.0359000000e-03  2.6069000000e-03 -1.4780000000e-03  2.8346000000e-03  2.4359000000e-03 -3.0756000000e-03  3.1024000000e-03  2.1799000000e-03  5.8150000000e-04 -6.9520000000e-04 -4.0224000000e-03  2.3414000000e-03 -2.5007000000e-03  1.8541000000e-03
+
+JOB 79
+COORDS -2.6423000000e-01  1.3098340000e+00 -2.2667190000e+00  2.2425300000e-01  2.0649090000e+00 -1.9388800000e+00 -1.0390020000e+00  1.6875660000e+00 -2.6829870000e+00  2.8809400000e-01 -1.3211500000e+00  2.2362050000e+00  1.8663700000e-01 -2.2474690000e+00  2.0174100000e+00  2.7940400000e-01 -1.2982250000e+00  3.1930910000e+00
+ENERGY -1.526536608311e+02
+FORCES -1.0758000000e-03  4.5294000000e-03  3.4800000000e-04 -1.9927000000e-03 -2.8606000000e-03 -1.7366000000e-03  3.1190000000e-03 -1.5706000000e-03  1.5539000000e-03 -5.4870000000e-04 -3.8432000000e-03  2.5166000000e-03  4.5100000000e-04  3.7017000000e-03  1.2052000000e-03  4.7300000000e-05  4.3400000000e-05 -3.8871000000e-03
+
+JOB 80
+COORDS -5.8780800000e-01  2.5008060000e+00 -7.6266200000e-01 -3.5879400000e-01  2.8714890000e+00 -1.6149400000e+00 -1.6674600000e-01  3.0804520000e+00 -1.2788000000e-01  5.5949700000e-01 -2.6046490000e+00  7.3932700000e-01  2.1670900000e-01 -1.7479660000e+00  4.8472400000e-01  7.4735000000e-01 -2.5198240000e+00  1.6740720000e+00
+ENERGY -1.526549663148e+02
+FORCES  2.4958000000e-03  4.3629000000e-03 -1.3036000000e-03 -9.1550000000e-04 -1.4772000000e-03  3.6146000000e-03 -1.6798000000e-03 -2.6047000000e-03 -2.4904000000e-03 -9.3650000000e-04  4.2165000000e-03  2.4746000000e-03  1.6742000000e-03 -4.0727000000e-03  1.3442000000e-03 -6.3820000000e-04 -4.2490000000e-04 -3.6393000000e-03
+
+JOB 81
+COORDS  1.3965470000e+00  1.7136750000e+00  1.8408940000e+00  6.5891100000e-01  1.6055150000e+00  2.4412480000e+00  1.4838450000e+00  8.6233300000e-01  1.4121420000e+00 -1.3121960000e+00 -1.6733610000e+00 -1.8838910000e+00 -1.4109500000e+00 -1.8511650000e+00 -9.4854800000e-01 -2.1678170000e+00 -1.3422750000e+00 -2.1568860000e+00
+ENERGY -1.526539080113e+02
+FORCES -2.4203000000e-03 -3.8567000000e-03  4.0960000000e-04  2.8870000000e-03  3.4490000000e-04 -2.4678000000e-03 -5.2200000000e-04  3.4370000000e-03  2.1201000000e-03 -4.2186000000e-03  5.9270000000e-04  2.2723000000e-03  7.3520000000e-04  9.2440000000e-04 -3.5645000000e-03  3.5387000000e-03 -1.4422000000e-03  1.2303000000e-03
+
+JOB 82
+COORDS  5.8877300000e-01  2.0165600000e-01 -2.8985200000e+00 -5.0981000000e-02 -1.5559000000e-02 -2.2204620000e+00  2.1445100000e-01  9.5951600000e-01 -3.3477020000e+00 -6.0144400000e-01 -2.5463700000e-01  2.9011340000e+00  1.8333800000e-01 -7.6298900000e-01  2.6963680000e+00 -3.0269400000e-01  6.5470000000e-01  2.9104420000e+00
+ENERGY -1.526545274883e+02
+FORCES -4.4001000000e-03  2.0856000000e-03  7.6780000000e-04  2.9000000000e-03  9.7490000000e-04 -2.7790000000e-03  1.5962000000e-03 -3.0326000000e-03  1.8604000000e-03  4.6630000000e-03  1.5623000000e-03 -3.1060000000e-04 -3.3899000000e-03  2.1239000000e-03  6.8570000000e-04 -1.3691000000e-03 -3.7140000000e-03 -2.2430000000e-04
+
+JOB 83
+COORDS  2.8184300000e+00 -1.4058240000e+00 -3.5341100000e-01  2.4639630000e+00 -6.0543200000e-01  3.3834000000e-02  3.6232310000e+00 -1.5736150000e+00  1.3686800000e-01 -2.8887840000e+00  1.3377210000e+00  2.6884500000e-01 -1.9986680000e+00  1.5205230000e+00 -3.2000000000e-02 -2.9275550000e+00  1.7157260000e+00  1.1473900000e+00
+ENERGY -1.526536816557e+02
+FORCES  1.9517000000e-03  2.3463000000e-03  3.6092000000e-03  1.2761000000e-03 -3.0558000000e-03 -1.6185000000e-03 -3.3329000000e-03  7.4590000000e-04 -2.0144000000e-03  3.3158000000e-03  2.2075000000e-03  2.2141000000e-03 -3.4781000000e-03 -6.9280000000e-04  1.4045000000e-03  2.6740000000e-04 -1.5510000000e-03 -3.5948000000e-03
+
+JOB 84
+COORDS  5.6614200000e-01  1.3066080000e+00  2.8193010000e+00  1.1052560000e+00  1.9679160000e+00  2.3854130000e+00  3.7780200000e-01  1.6782050000e+00  3.6810880000e+00 -5.9175000000e-01 -1.3372710000e+00 -2.8075200000e+00 -1.1986570000e+00 -1.5439750000e+00 -3.5182730000e+00  1.9138500000e-01 -1.8516080000e+00 -3.0034520000e+00
+ENERGY -1.526537134021e+02
+FORCES  1.2939000000e-03  4.2087000000e-03  1.4158000000e-03 -2.0792000000e-03 -2.6524000000e-03  1.9580000000e-03  7.7670000000e-04 -1.5445000000e-03 -3.4629000000e-03  7.1560000000e-04 -3.0353000000e-03 -3.4357000000e-03  2.4734000000e-03  8.8290000000e-04  2.8610000000e-03 -3.1803000000e-03  2.1406000000e-03  6.6380000000e-04
+
+JOB 85
+COORDS  2.0787600000e-01 -1.1700190000e+00  3.1951850000e+00  3.9187300000e-01 -1.8209050000e+00  3.8724770000e+00  1.0298290000e+00 -1.0879860000e+00  2.7115570000e+00 -3.2361300000e-01  1.1827400000e+00 -3.2137230000e+00 -7.0456000000e-02  1.7855680000e+00 -2.5146220000e+00  4.9902000000e-01  9.6381100000e-01 -3.6514190000e+00
+ENERGY -1.526539172847e+02
+FORCES  3.9854000000e-03 -2.4871000000e-03  7.5700000000e-04 -7.1680000000e-04  2.6913000000e-03 -2.7569000000e-03 -3.2833000000e-03 -1.9840000000e-04  1.9670000000e-03  4.2136000000e-03  1.5987000000e-03  1.1765000000e-03 -8.9220000000e-04 -2.4630000000e-03 -2.9513000000e-03 -3.3067000000e-03  8.5850000000e-04  1.8077000000e-03
+
+JOB 86
+COORDS -1.0529000000e-01 -1.4185290000e+00  3.1845480000e+00 -3.2846500000e-01 -9.6794200000e-01  2.3700570000e+00 -5.8093300000e-01 -9.3850600000e-01  3.8624670000e+00  1.8119500000e-01  1.3455650000e+00 -3.2365710000e+00  4.9753300000e-01  1.8790350000e+00 -2.5074810000e+00 -7.5060700000e-01  1.2211350000e+00 -3.0563070000e+00
+ENERGY -1.526537772639e+02
+FORCES -2.8121000000e-03  3.6360000000e-03 -4.9530000000e-04  8.5940000000e-04 -1.6756000000e-03  3.3014000000e-03  1.9469000000e-03 -1.9135000000e-03 -2.8510000000e-03 -2.4188000000e-03  1.7568000000e-03  3.4420000000e-03 -1.4160000000e-03 -2.2807000000e-03 -2.8484000000e-03  3.8406000000e-03  4.7710000000e-04 -5.4870000000e-04
+
+JOB 87
+COORDS  7.8192000000e-01  2.1033900000e+00 -2.7748460000e+00  1.1653800000e+00  2.1551700000e+00 -1.8993410000e+00 -1.3934200000e-01  2.3296440000e+00 -2.6471070000e+00 -7.0066800000e-01 -2.1224180000e+00  2.7454930000e+00 -1.4905230000e+00 -1.6622940000e+00  3.0294750000e+00 -9.3629200000e-01 -2.5043090000e+00  1.8999910000e+00
+ENERGY -1.526541504760e+02
+FORCES -2.0270000000e-03  1.2064000000e-03  4.1531000000e-03 -1.6597000000e-03 -1.9090000000e-04 -3.6558000000e-03  3.6789000000e-03 -9.9670000000e-04 -5.2860000000e-04 -4.2077000000e-03  3.1900000000e-05 -2.2215000000e-03  3.2688000000e-03 -1.7519000000e-03 -1.2268000000e-03  9.4670000000e-04  1.7011000000e-03  3.4795000000e-03
+
+JOB 88
+COORDS -2.0749830000e+00  2.7674620000e+00  1.6068330000e+00 -2.7467740000e+00  3.0517380000e+00  2.2266030000e+00 -2.3889870000e+00  1.9231750000e+00  1.2830830000e+00  2.1035770000e+00 -2.7626850000e+00 -1.5735610000e+00  2.8933350000e+00 -3.0484330000e+00 -2.0327590000e+00  1.8628390000e+00 -1.9398950000e+00 -1.9993470000e+00
+ENERGY -1.526541954380e+02
+FORCES -3.9981000000e-03 -2.3858000000e-03  1.3270000000e-03  2.7213000000e-03 -1.1223000000e-03 -2.5449000000e-03  1.2622000000e-03  3.5265000000e-03  1.2277000000e-03  2.3525000000e-03  2.2887000000e-03 -3.5631000000e-03 -3.2331000000e-03  1.1285000000e-03  1.8508000000e-03  8.9520000000e-04 -3.4357000000e-03  1.7026000000e-03
+
+JOB 89
+COORDS  7.4174000000e-01  5.7216100000e-01  3.8911350000e+00  1.2507370000e+00 -4.3964000000e-02  4.4179600000e+00  8.1968000000e-01  1.4058990000e+00  4.3548580000e+00 -7.5321900000e-01 -5.4273200000e-01 -3.9174420000e+00 -4.0079000000e-01 -9.2036300000e-01 -4.7233080000e+00 -1.5981690000e+00 -9.7652600000e-01 -3.7986330000e+00
+ENERGY -1.526538658740e+02
+FORCES  2.4473000000e-03  9.3210000000e-04  3.9001000000e-03 -2.1003000000e-03  2.4930000000e-03 -2.1082000000e-03 -3.3690000000e-04 -3.4170000000e-03 -1.8360000000e-03 -2.0212000000e-03 -3.3240000000e-03 -2.6107000000e-03 -1.4215000000e-03  1.5527000000e-03  3.2527000000e-03  3.4326000000e-03  1.7632000000e-03 -5.9790000000e-04
+
+JOB 0
+COORDS  5.0331600000e-01  9.1015700000e-01  9.2865000000e-01  8.3416900000e-01  1.3418170000e+00  1.4097100000e-01 -9.3923000000e-02  2.3774400000e-01  6.0093200000e-01 -4.6031100000e-01 -9.1657800000e-01 -8.1029400000e-01 -9.0838000000e-02 -4.0216000000e-01 -1.5279960000e+00 -1.3635350000e+00 -1.0870740000e+00 -1.0774080000e+00
+ENERGY -1.526564736481e+02
+FORCES -5.5204000000e-03 -1.0581100000e-02 -1.1362500000e-02 -7.0140000000e-04 -1.3225000000e-03  8.8430000000e-04  1.5485000000e-03  6.2363000000e-03  5.0520000000e-03  1.8402000000e-03  4.5019000000e-03 -1.3069000000e-03 -2.1324000000e-03 -9.0310000000e-04  4.8379000000e-03  4.9656000000e-03  2.0685000000e-03  1.8951000000e-03
+
+JOB 1
+COORDS  1.1481620000e+00 -7.9989300000e-01 -2.1651900000e-01  1.2217890000e+00  1.1878200000e-01 -4.7506700000e-01  2.3894600000e-01 -8.9745400000e-01  6.6393000000e-02 -1.0550820000e+00  7.4176400000e-01  2.5429000000e-01 -1.1416970000e+00  1.5001370000e+00 -3.2329200000e-01 -1.8154390000e+00  1.9706600000e-01  5.0838000000e-02
+ENERGY -1.526540357242e+02
+FORCES -1.2153400000e-02  1.1962200000e-02  3.2480000000e-03  3.4276000000e-03 -1.1496000000e-03 -1.8703000000e-03 -5.7200000000e-04 -6.4007000000e-03 -5.8010000000e-04  1.6424000000e-03 -1.1086000000e-03 -4.3081000000e-03  1.4969000000e-03 -3.9299000000e-03  2.5744000000e-03  6.1584000000e-03  6.2660000000e-04  9.3600000000e-04
+
+JOB 2
+COORDS -4.3594000000e-02 -1.2568380000e+00 -2.6350600000e-01 -6.2559800000e-01 -1.4922810000e+00 -9.8605000000e-01  3.8954100000e-01 -2.0770710000e+00 -2.7192000000e-02  4.5097000000e-02  1.3417280000e+00  2.3601400000e-01 -2.4061900000e-01  1.7471980000e+00  1.0546670000e+00  4.5138200000e-01  5.1790600000e-01  5.0523800000e-01
+ENERGY -1.526560094365e+02
+FORCES -4.1123000000e-03  4.4086000000e-03 -4.1484000000e-03  3.0495000000e-03 -1.6971000000e-03  3.4481000000e-03 -1.6591000000e-03  5.3021000000e-03 -1.5360000000e-04 -4.6290000000e-04 -1.1584700000e-02  1.3850000000e-04  8.2150000000e-04 -3.0049000000e-03 -2.5694000000e-03  2.3633000000e-03  6.5759000000e-03  3.2847000000e-03
+
+JOB 3
+COORDS -1.1881550000e+00  5.6219500000e-01 -4.5569000000e-01 -1.3261010000e+00  7.7203000000e-02 -1.2693150000e+00 -2.6160100000e-01  8.0182200000e-01 -4.7328500000e-01  1.1808150000e+00 -5.8037200000e-01  4.4315900000e-01  1.3610650000e+00  2.5907100000e-01  8.6633500000e-01  4.2721400000e-01 -9.3138600000e-01  9.1761200000e-01
+ENERGY -1.526552906714e+02
+FORCES  1.0837200000e-02 -5.6038000000e-03 -3.0674000000e-03 -4.3090000000e-04  1.5938000000e-03  3.1747000000e-03 -3.5140000000e-03  3.9033000000e-03  2.6213000000e-03 -9.3444000000e-03  1.4323000000e-03  3.8484000000e-03 -2.8432000000e-03 -1.7643000000e-03 -5.3119000000e-03  5.2953000000e-03  4.3870000000e-04 -1.2652000000e-03
+
+JOB 4
+COORDS -7.6055100000e-01 -1.0874570000e+00 -4.4610400000e-01 -6.4522000000e-02 -1.5710570000e+00 -8.9097000000e-01 -7.4478700000e-01 -2.1925800000e-01 -8.4886200000e-01  7.7139000000e-01  1.0999620000e+00  4.5950500000e-01  6.7543200000e-01  1.6304400000e-01  6.3040900000e-01 -1.0083000000e-02  1.4955940000e+00  8.4551900000e-01
+ENERGY -1.526578354682e+02
+FORCES  3.8673000000e-03  5.7602000000e-03 -5.3139000000e-03 -1.9646000000e-03  2.8078000000e-03  3.9073000000e-03 -1.2579000000e-03 -4.5397000000e-03  3.5991000000e-03 -6.6045000000e-03 -8.0365000000e-03  3.6911000000e-03  3.5531000000e-03  5.0958000000e-03 -2.4519000000e-03  2.4066000000e-03 -1.0876000000e-03 -3.4317000000e-03
+
+JOB 5
+COORDS  3.9606800000e-01 -6.2966600000e-01  1.0899520000e+00  2.5938000000e-01 -1.5328690000e+00  8.0399100000e-01  8.7834000000e-01 -7.0889200000e-01  1.9129750000e+00 -4.2427300000e-01  7.4633000000e-01 -1.1399190000e+00 -5.6012700000e-01 -7.5059000000e-02 -1.6122490000e+00 -1.2635100000e-01  4.7707500000e-01 -2.7102500000e-01
+ENERGY -1.526586759809e+02
+FORCES  1.0870000000e-04  2.1290000000e-04 -2.0783000000e-03  8.3950000000e-04  4.6471000000e-03  1.0947000000e-03 -2.4348000000e-03 -1.4848000000e-03 -3.9904000000e-03  4.2029000000e-03 -7.4912000000e-03  1.0043100000e-02  3.6310000000e-04  1.4603000000e-03  1.7088000000e-03 -3.0793000000e-03  2.6557000000e-03 -6.7778000000e-03
+
+JOB 6
+COORDS  7.9913100000e-01 -8.3143000000e-01 -8.5663300000e-01  1.9147200000e-01 -2.7285100000e-01 -3.7189300000e-01  2.8328100000e-01 -1.6042250000e+00 -1.0866720000e+00 -7.5800500000e-01  7.8835000000e-01  8.1178400000e-01 -1.3923700000e-01  8.0393200000e-01  1.5419310000e+00 -8.8873300000e-01  1.7098660000e+00  5.8828900000e-01
+ENERGY -1.526619661719e+02
+FORCES -9.5117000000e-03  5.5225000000e-03  5.9720000000e-03  7.6175000000e-03 -6.2756000000e-03 -4.9357000000e-03  9.9720000000e-04  2.5928000000e-03  1.1193000000e-03  2.7403000000e-03  2.7092000000e-03  1.1174000000e-03 -3.0596000000e-03  1.0130000000e-04 -5.0061000000e-03  1.2163000000e-03 -4.6502000000e-03  1.7332000000e-03
+
+JOB 7
+COORDS  1.6637400000e-01  7.8197500000e-01 -1.1143810000e+00  8.0673800000e-01  7.3336000000e-02 -1.1775960000e+00  6.2376500000e-01  1.5499980000e+00 -1.4566760000e+00 -2.7417700000e-01 -8.3962700000e-01  1.1256610000e+00  2.7625300000e-01 -6.9053300000e-01  1.8944450000e+00 -1.1663100000e-01 -7.8858000000e-02  5.6651800000e-01
+ENERGY -1.526595040470e+02
+FORCES  2.9308000000e-03 -5.0230000000e-04 -2.1790000000e-03 -3.8512000000e-03  5.3054000000e-03  3.9961000000e-03 -1.3537000000e-03 -4.5209000000e-03  1.2426000000e-03  3.7040000000e-04  8.4655000000e-03 -3.7297000000e-03 -1.1664000000e-03  2.2070000000e-04 -3.5468000000e-03  3.0702000000e-03 -8.9685000000e-03  4.2166000000e-03
+
+JOB 8
+COORDS  1.2843090000e+00 -2.2410100000e-01  3.4187000000e-01  1.6534100000e+00 -1.1043240000e+00  2.6972800000e-01  1.7100270000e+00  1.5225600000e-01  1.1121630000e+00 -1.3868220000e+00  2.3348200000e-01 -3.4733500000e-01 -1.3630110000e+00  4.9959100000e-01 -1.2664930000e+00 -4.7592600000e-01  2.8739900000e-01 -5.8209000000e-02
+ENERGY -1.526609734572e+02
+FORCES -1.2289000000e-03 -3.8246000000e-03  8.0260000000e-04  1.4440000000e-04  4.7301000000e-03  1.2292000000e-03 -2.2745000000e-03 -2.3588000000e-03 -3.7447000000e-03  1.1862200000e-02 -1.1146000000e-03  5.3980000000e-04  3.5050000000e-04 -1.0980000000e-03  2.6072000000e-03 -8.8536000000e-03  3.6659000000e-03 -1.4340000000e-03
+
+JOB 9
+COORDS  1.4702970000e+00 -8.8531000000e-02  7.0320000000e-03  9.7745300000e-01  4.7912100000e-01  5.9957600000e-01  8.0864100000e-01 -6.5831800000e-01 -3.8512200000e-01 -1.4005980000e+00  6.4807000000e-02  3.8406000000e-02 -1.5404980000e+00 -3.7093600000e-01 -8.0230100000e-01 -1.3902630000e+00  9.9812700000e-01 -1.7381800000e-01
+ENERGY -1.526550669968e+02
+FORCES -1.3334200000e-02 -5.7890000000e-04  3.0622000000e-03  4.0593000000e-03  2.1048000000e-03 -1.1081000000e-03  3.4811000000e-03 -9.4520000000e-04 -3.3240000000e-03  1.2598000000e-03  2.7539000000e-03 -4.9451000000e-03  3.2100000000e-03  1.1578000000e-03  4.2289000000e-03  1.3240000000e-03 -4.4925000000e-03  2.0861000000e-03
+
+JOB 10
+COORDS -4.4496200000e-01 -1.2558670000e+00  6.7467500000e-01 -1.0745650000e+00 -6.5167100000e-01  2.8125400000e-01  4.0849100000e-01 -9.3991700000e-01  3.7798400000e-01  4.0389200000e-01  1.2525160000e+00 -6.0223300000e-01  5.7627000000e-02  8.1675200000e-01 -1.3809780000e+00  1.2238770000e+00  7.9518500000e-01 -4.1594400000e-01
+ENERGY -1.526514404100e+02
+FORCES  1.0411000000e-03  1.1356200000e-02 -3.1085000000e-03 -1.2770000000e-04 -4.8247000000e-03 -3.4570000000e-04  1.9132000000e-03 -1.4530000000e-03 -1.0984000000e-03  2.4706000000e-03 -3.9505000000e-03 -1.9250000000e-03  3.0800000000e-04  5.9720000000e-04  5.7005000000e-03 -5.6052000000e-03 -1.7252000000e-03  7.7700000000e-04
+
+JOB 11
+COORDS -7.0261200000e-01  1.6699000000e-01 -1.2720760000e+00 -1.0188780000e+00  1.0688730000e+00 -1.3251370000e+00 -3.3195400000e-01  9.4007000000e-02 -3.9257800000e-01  6.6746800000e-01 -1.9042300000e-01  1.1727380000e+00  1.4273260000e+00 -7.7246200000e-01  1.1815890000e+00  4.8169400000e-01 -2.4224000000e-02  2.0969120000e+00
+ENERGY -1.526614826859e+02
+FORCES  4.5253000000e-03  1.1978000000e-03  9.6436000000e-03  8.9530000000e-04 -2.5764000000e-03  9.5310000000e-04 -4.6119000000e-03  1.2661000000e-03 -8.5370000000e-03  7.5180000000e-04 -1.7315000000e-03  1.7110000000e-04 -3.5930000000e-03  2.9263000000e-03  1.7339000000e-03  2.0325000000e-03 -1.0823000000e-03 -3.9648000000e-03
+
+JOB 12
+COORDS  2.0639200000e-01  1.3343610000e+00 -5.3030400000e-01  5.0503200000e-01  2.0511720000e+00  2.9364000000e-02  9.9474000000e-02  5.9305900000e-01  6.5743000000e-02 -2.2683100000e-01 -1.2832550000e+00  4.8657000000e-01  6.1878200000e-01 -1.6363660000e+00  2.1001200000e-01 -8.4840000000e-01 -1.9923490000e+00  3.2204100000e-01
+ENERGY -1.526605234531e+02
+FORCES -2.7079000000e-03 -6.2525000000e-03  5.1058000000e-03 -9.5740000000e-04 -3.5475000000e-03 -1.0442000000e-03  5.4282000000e-03  8.2641000000e-03 -2.7164000000e-03 -1.4742000000e-03 -2.5826000000e-03 -3.9627000000e-03 -4.3254000000e-03  2.5479000000e-03  1.7066000000e-03  4.0367000000e-03  1.5706000000e-03  9.1090000000e-04
+
+JOB 13
+COORDS -1.3032980000e+00  4.7564400000e-01 -1.6485700000e-01 -1.3864020000e+00  1.2978010000e+00 -6.4795400000e-01 -1.4797820000e+00  7.1327800000e-01  7.4542600000e-01  1.3530770000e+00 -5.9544800000e-01  1.1621500000e-01  1.7423560000e+00  2.3014900000e-01  4.0445500000e-01  4.0997700000e-01 -4.6220000000e-01  2.1128700000e-01
+ENERGY -1.526582739982e+02
+FORCES  1.9110000000e-04  4.8990000000e-03 -1.7369000000e-03 -4.3430000000e-04 -3.3446000000e-03  3.4642000000e-03  4.0139000000e-03 -2.0515000000e-03 -4.5979000000e-03 -9.5743000000e-03  6.6233000000e-03 -1.5907000000e-03 -1.0409000000e-03 -2.2893000000e-03 -5.9230000000e-04  6.8445000000e-03 -3.8370000000e-03  5.0536000000e-03
+
+JOB 14
+COORDS -1.1535150000e+00  7.0557500000e-01 -6.0188000000e-01 -1.8653210000e+00  6.5630000000e-02 -5.9614700000e-01 -3.7532000000e-01  2.0108000000e-01 -3.6496400000e-01  1.1019310000e+00 -5.9602000000e-01  5.7803200000e-01  1.8476380000e+00 -7.3177300000e-01 -6.5390000000e-03  1.3090650000e+00 -1.1143880000e+00  1.3556060000e+00
+ENERGY -1.526603873510e+02
+FORCES  5.9382000000e-03 -6.9058000000e-03  5.1899000000e-03  2.1246000000e-03  1.7675000000e-03  2.2310000000e-04 -5.3729000000e-03  4.0484000000e-03 -6.6227000000e-03  9.2200000000e-04 -1.1558000000e-03  2.5063000000e-03 -4.3499000000e-03  4.5320000000e-04  2.8472000000e-03  7.3800000000e-04  1.7925000000e-03 -4.1437000000e-03
+
+JOB 15
+COORDS -1.4409910000e+00  1.9700800000e-01 -7.4267000000e-02 -1.3458050000e+00  5.8499500000e-01  7.9558200000e-01 -1.1479660000e+00  8.8154300000e-01 -6.7574900000e-01  1.4780290000e+00 -2.3644300000e-01  4.3796000000e-02  6.9609900000e-01  2.3771400000e-01  3.2662600000e-01  1.2241720000e+00 -1.1588020000e+00  7.6075000000e-02
+ENERGY -1.526544698052e+02
+FORCES  2.1000000000e-06  4.1240000000e-03 -1.3642000000e-03  4.4258000000e-03 -3.1115000000e-03 -5.1317000000e-03  3.4540000000e-04 -3.7684000000e-03  5.0033000000e-03 -1.1243600000e-02 -4.1685000000e-03 -3.0170000000e-04  3.2155000000e-03  4.4357000000e-03  1.4959000000e-03  3.2549000000e-03  2.4887000000e-03  2.9850000000e-04
+
+JOB 16
+COORDS  2.0102500000e-01 -1.3511390000e+00  5.3293500000e-01 -7.2750800000e-01 -1.4126690000e+00  3.0871900000e-01  6.5832400000e-01 -1.5088500000e+00 -2.9304200000e-01 -2.3517700000e-01  1.3687250000e+00 -5.0596500000e-01 -2.4473000000e-02  8.2286800000e-01  2.5158100000e-01  5.7898800000e-01  1.8325850000e+00 -7.0141400000e-01
+ENERGY -1.526595054318e+02
+FORCES -2.6264000000e-03 -1.4563000000e-03 -7.6912000000e-03  4.6250000000e-03  1.3381000000e-03  2.1117000000e-03 -1.2893000000e-03  4.7490000000e-04  4.3221000000e-03  4.8378000000e-03 -4.4807000000e-03  5.0892000000e-03 -3.0334000000e-03  6.6438000000e-03 -4.3274000000e-03 -2.5137000000e-03 -2.5198000000e-03  4.9560000000e-04
+
+JOB 17
+COORDS  6.6473900000e-01 -1.0461080000e+00  6.8856700000e-01  1.4158300000e+00 -1.3820420000e+00  1.1776920000e+00 -4.4062000000e-02 -1.0117370000e+00  1.3309460000e+00 -7.0517700000e-01  1.0498060000e+00 -7.9337900000e-01 -5.3255500000e-01  1.9360170000e+00 -4.7547300000e-01 -3.2800000000e-02  5.1036000000e-01 -3.7728000000e-01
+ENERGY -1.526608578579e+02
+FORCES  1.5800000000e-04 -2.4391000000e-03  3.8785000000e-03 -4.2558000000e-03  1.1805000000e-03 -1.2091000000e-03  4.7112000000e-03  9.2180000000e-04 -3.1643000000e-03  6.6415000000e-03 -3.0370000000e-03  3.4166000000e-03 -3.5500000000e-04 -3.3476000000e-03 -3.5600000000e-04 -6.8998000000e-03  6.7214000000e-03 -2.5658000000e-03
+
+JOB 18
+COORDS  4.7710800000e-01  1.2878920000e+00 -4.6209500000e-01  6.3987600000e-01  5.7410900000e-01 -1.0787420000e+00  1.1895130000e+00  1.9076620000e+00 -6.1892500000e-01 -5.3732600000e-01 -1.3081750000e+00  4.5985300000e-01 -9.7368500000e-01 -5.0244500000e-01  7.3665800000e-01  8.8184000000e-02 -1.4950170000e+00  1.1598950000e+00
+ENERGY -1.526582439802e+02
+FORCES  2.3307000000e-03 -3.4370000000e-03 -3.4084000000e-03  5.2160000000e-04  5.9762000000e-03  1.1708000000e-03 -2.3517000000e-03 -3.5407000000e-03  8.4180000000e-04  1.9025000000e-03  6.8264000000e-03  4.6033000000e-03 -1.5450000000e-04 -5.6278000000e-03 -5.6590000000e-04 -2.2486000000e-03 -1.9700000000e-04 -2.6417000000e-03
+
+JOB 19
+COORDS  1.0709350000e+00  7.3924200000e-01 -7.9377000000e-01  1.7619590000e+00  7.7182000000e-02 -8.1360700000e-01  2.6092000000e-01  2.3794900000e-01 -6.9989000000e-01 -1.0437810000e+00 -6.7269700000e-01  7.2142800000e-01 -9.3573600000e-01 -1.3882360000e+00  1.3479750000e+00 -1.5158710000e+00  3.0700000000e-03  1.2079490000e+00
+ENERGY -1.526594587525e+02
+FORCES -4.5034000000e-03 -7.6938000000e-03  4.2019000000e-03 -1.6754000000e-03  2.1547000000e-03 -2.0100000000e-05  4.6846000000e-03  5.0498000000e-03 -5.0464000000e-03  6.7030000000e-04  8.9370000000e-04  5.1525000000e-03 -9.0650000000e-04  3.3000000000e-03 -2.1672000000e-03  1.7304000000e-03 -3.7044000000e-03 -2.1207000000e-03
+
+JOB 20
+COORDS -1.2085500000e-01  1.4252990000e+00  6.0107000000e-02 -8.8356100000e-01  1.6145030000e+00 -4.8644100000e-01  2.6997800000e-01  2.2820780000e+00  2.3160300000e-01  9.8228000000e-02 -1.5181490000e+00  1.1880000000e-03  8.4346900000e-01 -1.7984800000e+00 -5.3009500000e-01  2.2818000000e-02 -5.7899800000e-01 -1.6775500000e-01
+ENERGY -1.526599160439e+02
+FORCES  2.7710000000e-04  4.6552000000e-03  8.8470000000e-04  4.5534000000e-03 -2.0749000000e-03  2.2846000000e-03 -3.0059000000e-03 -2.8723000000e-03 -1.3921000000e-03  2.9708000000e-03  7.9360000000e-03 -7.8410000000e-04 -2.3276000000e-03  1.0874000000e-03  1.6544000000e-03 -2.4678000000e-03 -8.7314000000e-03 -2.6475000000e-03
+
+JOB 21
+COORDS  3.5890100000e-01  7.3658500000e-01  1.3222100000e+00  9.4697100000e-01  5.1385200000e-01  6.0054900000e-01 -4.8981700000e-01  8.8181000000e-01  9.0409600000e-01 -3.2355000000e-01 -6.8011500000e-01 -1.2384250000e+00 -1.0832610000e+00 -1.1463290000e+00 -8.8954800000e-01  8.0470000000e-03 -1.2481400000e+00 -1.9338550000e+00
+ENERGY -1.526576426507e+02
+FORCES -1.5426000000e-03 -2.7346000000e-03 -9.9945000000e-03  1.2457000000e-03  2.4300000000e-03  5.0893000000e-03  7.0900000000e-04 -1.2690000000e-04  3.7309000000e-03 -2.1113000000e-03 -4.8402000000e-03 -4.1440000000e-04  2.8777000000e-03  2.9808000000e-03 -1.9540000000e-03 -1.1785000000e-03  2.2909000000e-03  3.5427000000e-03
+
+JOB 22
+COORDS  1.1244720000e+00  2.5406500000e-01 -9.7823700000e-01  5.9775700000e-01  2.9081300000e-01 -1.7983100000e-01  1.7735210000e+00  9.4919100000e-01 -8.6976700000e-01 -1.0901520000e+00 -3.0855700000e-01  9.6925200000e-01 -1.9660090000e+00  7.0371000000e-02  1.0435470000e+00 -1.0353300000e+00 -6.1028400000e-01  6.2506000000e-02
+ENERGY -1.526587666794e+02
+FORCES  5.8500000000e-05  3.4545000000e-03  6.4049000000e-03  7.8960000000e-04 -3.4202000000e-03 -8.5775000000e-03 -2.4142000000e-03 -2.2821000000e-03 -1.4050000000e-04 -6.2278000000e-03 -7.3960000000e-04 -2.8231000000e-03  3.7023000000e-03 -2.2915000000e-03 -4.2860000000e-04  4.0915000000e-03  5.2789000000e-03  5.5649000000e-03
+
+JOB 23
+COORDS  4.7826000000e-01  8.0044400000e-01 -1.1681740000e+00  1.0111900000e-01  9.7918800000e-01 -3.0675300000e-01  3.5498800000e-01  1.6137800000e+00 -1.6575820000e+00 -4.5113900000e-01 -8.1695400000e-01  1.0980100000e+00  2.3879500000e-01 -1.4264320000e+00  1.3602310000e+00 -1.1353790000e+00 -9.3082700000e-01  1.7576170000e+00
+ENERGY -1.526575844753e+02
+FORCES -3.2904000000e-03  5.1120000000e-04  4.5449000000e-03  3.0202000000e-03  4.3111000000e-03 -6.0975000000e-03 -2.5220000000e-04 -3.1955000000e-03  2.4826000000e-03  1.1805000000e-03 -4.9625000000e-03  2.1938000000e-03 -3.7200000000e-03  2.4820000000e-03 -3.1200000000e-05  3.0618000000e-03  8.5370000000e-04 -3.0926000000e-03
+
+JOB 24
+COORDS  2.4005300000e-01  4.5665900000e-01  1.3370100000e+00  7.8406700000e-01  1.1783740000e+00  1.6523020000e+00 -2.1290000000e-01  1.3861600000e-01  2.1179800000e+00 -3.0176900000e-01 -5.2538700000e-01 -1.4040490000e+00  3.0022300000e-01 -2.9593700000e-01 -2.1119970000e+00  7.9060000000e-03 -1.9998000000e-02 -6.5244100000e-01
+ENERGY -1.526606445315e+02
+FORCES -1.3793000000e-03 -3.6430000000e-04  4.6790000000e-03 -2.4829000000e-03 -3.3971000000e-03 -1.4100000000e-03  2.9847000000e-03  2.6583000000e-03 -2.2409000000e-03  3.3052000000e-03  3.4156000000e-03  5.7901000000e-03 -1.5438000000e-03 -1.2830000000e-04  3.0024000000e-03 -8.8390000000e-04 -2.1842000000e-03 -9.8207000000e-03
+
+JOB 25
+COORDS  4.7463300000e-01  1.3425500000e+00  5.6138300000e-01 -3.7200000000e-03  5.2529100000e-01  4.2175000000e-01 -1.9936300000e-01  2.0218740000e+00  5.3947100000e-01 -4.0185000000e-01 -1.2699240000e+00 -5.4318600000e-01  9.7230000000e-03 -2.0343610000e+00 -1.4010300000e-01 -1.0834450000e+00 -1.6341930000e+00 -1.1079580000e+00
+ENERGY -1.526603117059e+02
+FORCES -5.2080000000e-03 -5.3178000000e-03 -3.5066000000e-03  3.0914000000e-03  7.5998000000e-03  5.1347000000e-03  1.8650000000e-03 -2.4161000000e-03 -2.2610000000e-04 -5.0230000000e-04 -4.0934000000e-03 -2.0577000000e-03 -2.6013000000e-03  3.5270000000e-03 -1.9872000000e-03  3.3552000000e-03  7.0050000000e-04  2.6430000000e-03
+
+JOB 26
+COORDS  8.9241500000e-01  1.1404440000e+00 -7.0569000000e-02  1.5194090000e+00  9.9148700000e-01 -7.7832800000e-01  1.2330650000e+00  1.9042610000e+00  3.9502100000e-01 -9.6060600000e-01 -1.2448970000e+00  7.8833000000e-02 -1.6401370000e+00 -6.0548300000e-01  2.9242100000e-01 -1.5714700000e-01 -7.2866400000e-01  1.4102000000e-02
+ENERGY -1.526598612815e+02
+FORCES  3.4417000000e-03  3.7080000000e-03  2.4370000000e-04 -3.2234000000e-03 -1.8330000000e-04  4.0348000000e-03 -1.1163000000e-03 -2.8658000000e-03 -3.1313000000e-03  2.9592000000e-03  9.5798000000e-03  1.1894000000e-03  5.8970000000e-04 -3.0961000000e-03 -3.2460000000e-04 -2.6509000000e-03 -7.1426000000e-03 -2.0119000000e-03
+
+JOB 27
+COORDS  5.2770200000e-01  7.9721700000e-01 -1.3377820000e+00  1.1822870000e+00  1.0190700000e-01 -1.2722520000e+00 -2.5746400000e-01  4.2637800000e-01 -9.3501000000e-01 -4.6994500000e-01 -7.0394600000e-01  1.3211470000e+00 -4.6056000000e-01 -1.6604710000e+00  1.2864390000e+00 -1.3955790000e+00 -4.7034100000e-01  1.2514230000e+00
+ENERGY -1.526558073555e+02
+FORCES -2.2190000000e-04 -6.1117000000e-03  6.9089000000e-03 -1.3799000000e-03  2.4850000000e-03 -2.2211000000e-03 -6.2300000000e-05  2.8203000000e-03 -4.8888000000e-03 -3.6433000000e-03 -3.2352000000e-03  2.8751000000e-03  3.3070000000e-04  4.7740000000e-03 -7.5570000000e-04  4.9767000000e-03 -7.3240000000e-04 -1.9183000000e-03
+
+JOB 28
+COORDS -1.2853860000e+00  7.8601200000e-01  7.2214600000e-01 -5.9275400000e-01  9.0010000000e-01  1.3728970000e+00 -8.1958800000e-01  6.5943100000e-01 -1.0443800000e-01  1.2175360000e+00 -7.5428100000e-01 -6.6358300000e-01  1.1066510000e+00 -1.7010160000e+00 -7.5092700000e-01  1.2696970000e+00 -4.3464900000e-01 -1.5643310000e+00
+ENERGY -1.526577262040e+02
+FORCES  8.3846000000e-03 -2.7561000000e-03 -1.4148000000e-03 -3.6993000000e-03  7.3920000000e-04 -9.0210000000e-04 -4.9777000000e-03  3.3737000000e-03  1.2400000000e-03  1.1375000000e-03 -5.1427000000e-03 -3.4453000000e-03  1.0392000000e-03  4.3625000000e-03 -1.4600000000e-04 -1.8843000000e-03 -5.7660000000e-04  4.6682000000e-03
+
+JOB 29
+COORDS -6.3769400000e-01 -1.0796200000e-01 -1.5745890000e+00 -1.2916840000e+00  4.6076100000e-01 -1.1682840000e+00  1.8006800000e-01  1.0847200000e-01 -1.1266460000e+00  5.9951000000e-01  4.7062000000e-02  1.5721500000e+00  1.4955520000e+00  3.8021600000e-01  1.5236820000e+00  3.1696500000e-01 -1.5272000000e-02  6.5972800000e-01
+ENERGY -1.526506577898e+02
+FORCES -6.6330000000e-04  4.4681000000e-03  7.6660000000e-04  4.2018000000e-03 -3.5382000000e-03 -1.4423000000e-03 -4.0761000000e-03 -2.5713000000e-03  5.0578000000e-03  2.1048000000e-03 -4.8880000000e-04 -2.8933000000e-03 -4.5112000000e-03 -1.4738000000e-03 -8.2270000000e-04  2.9439000000e-03  3.6039000000e-03 -6.6600000000e-04
+
+JOB 30
+COORDS  2.1471200000e-01 -9.7293600000e-01 -1.3232630000e+00 -4.1758400000e-01 -1.6908800000e+00 -1.3547180000e+00 -3.1942300000e-01 -1.8029900000e-01 -1.3748240000e+00 -2.2339200000e-01  9.7577900000e-01  1.3196400000e+00  3.7374800000e-01  3.3399300000e-01  9.3523600000e-01  3.3639000000e-01  1.5270480000e+00  1.8664290000e+00
+ENERGY -1.526593384429e+02
+FORCES -6.1903000000e-03 -2.5940000000e-04 -2.5251000000e-03  2.7539000000e-03  3.0379000000e-03 -4.7700000000e-05  3.6304000000e-03 -4.4247000000e-03  6.6100000000e-04  5.2216000000e-03 -1.5375000000e-03  9.2700000000e-04 -3.4999000000e-03  5.5990000000e-03  3.1984000000e-03 -1.9158000000e-03 -2.4153000000e-03 -2.2137000000e-03
+
+JOB 31
+COORDS  3.4090000000e-01 -9.6930600000e-01 -1.3436130000e+00  1.9468500000e-01 -1.1849100000e-01 -9.3013100000e-01  1.2184600000e+00 -1.2260990000e+00 -1.0604570000e+00 -3.7215500000e-01  9.2363200000e-01  1.2425720000e+00 -3.3984800000e-01  1.7616940000e+00  1.7039180000e+00 -6.5292400000e-01  2.9452400000e-01  1.9071200000e+00
+ENERGY -1.526592998579e+02
+FORCES  2.0998000000e-03  4.4619000000e-03  4.8970000000e-03  1.5886000000e-03 -5.0436000000e-03 -5.7526000000e-03 -2.9401000000e-03  2.6010000000e-04 -1.2337000000e-03 -2.1082000000e-03  6.4310000000e-04  5.8500000000e-03 -1.5630000000e-04 -3.9016000000e-03 -1.5980000000e-03  1.5163000000e-03  3.5802000000e-03 -2.1627000000e-03
+
+JOB 32
+COORDS  1.0415190000e+00  8.2596400000e-01  1.0314150000e+00  3.9022400000e-01  1.1539910000e+00  4.1137900000e-01  1.2675220000e+00  1.5865160000e+00  1.5668720000e+00 -1.0449020000e+00 -8.4498100000e-01 -1.0786120000e+00 -1.4576580000e+00 -1.1491050000e+00 -2.7029700000e-01 -1.8372900000e-01 -1.2628460000e+00 -1.0802750000e+00
+ENERGY -1.526582522847e+02
+FORCES -2.0219000000e-03  4.6198000000e-03 -1.1655000000e-03  4.3076000000e-03 -2.9440000000e-04  4.4794000000e-03 -1.3247000000e-03 -2.9155000000e-03 -2.2703000000e-03  2.1985000000e-03 -5.0780000000e-03  3.5305000000e-03  1.1172000000e-03  1.7074000000e-03 -3.7288000000e-03 -4.2767000000e-03  1.9606000000e-03 -8.4530000000e-04
+
+JOB 33
+COORDS -2.2086800000e-01 -1.3697300000e-01  1.7233700000e+00 -2.4734600000e-01 -1.0528850000e+00  2.0002030000e+00  5.0608200000e-01 -9.4969000000e-02  1.1020730000e+00  2.3818200000e-01  2.0405400000e-01 -1.6788490000e+00  8.0300000000e-02 -6.4768200000e-01 -2.0860960000e+00 -6.0347300000e-01  6.5651400000e-01 -1.7347820000e+00
+ENERGY -1.526573795761e+02
+FORCES  3.6431000000e-03 -2.8551000000e-03 -3.4825000000e-03 -8.2800000000e-05  3.2765000000e-03 -1.2031000000e-03 -2.6376000000e-03 -8.2270000000e-04  6.0426000000e-03 -5.7482000000e-03 -9.3140000000e-04 -2.5560000000e-03  9.0520000000e-04  3.3282000000e-03  2.0133000000e-03  3.9203000000e-03 -1.9955000000e-03 -8.1440000000e-04
+
+JOB 34
+COORDS  3.7502400000e-01 -1.6671220000e+00 -3.2702200000e-01  7.6518000000e-02 -2.4687120000e+00  1.0260300000e-01  2.1600200000e-01 -9.7648600000e-01  3.1638000000e-01 -2.8502000000e-01  1.6736990000e+00  2.7638700000e-01 -1.0009330000e+00  1.9941200000e+00  8.2505000000e-01 -7.1924100000e-01  1.2979710000e+00 -4.8945400000e-01
+ENERGY -1.526578810651e+02
+FORCES -4.1660000000e-04  4.0030000000e-04  5.1755000000e-03  9.6680000000e-04  3.3734000000e-03 -1.5093000000e-03 -6.4470000000e-04 -5.9710000000e-03 -3.9900000000e-03 -4.9930000000e-03  2.9247000000e-03 -2.5108000000e-03  3.1369000000e-03 -1.9867000000e-03 -2.2882000000e-03  1.9506000000e-03  1.2593000000e-03  5.1228000000e-03
+
+JOB 35
+COORDS -1.0365230000e+00 -6.2358200000e-01 -1.1550330000e+00 -6.2935100000e-01 -6.1772800000e-01 -2.0212950000e+00 -1.8949210000e+00 -1.0229640000e+00 -1.2960270000e+00  1.1214420000e+00  6.8333800000e-01  1.2083010000e+00  1.0408240000e+00 -2.6683900000e-01  1.2913450000e+00  2.1885800000e-01  9.9651100000e-01  1.1491720000e+00
+ENERGY -1.526568436192e+02
+FORCES -1.2240000000e-03 -1.4279000000e-03 -5.6612000000e-03 -2.4310000000e-03 -5.2880000000e-04  3.4477000000e-03  3.7707000000e-03  1.8044000000e-03  9.2100000000e-04 -6.0694000000e-03 -3.8014000000e-03 -2.3265000000e-03  1.8357000000e-03  3.5014000000e-03  1.3047000000e-03  4.1180000000e-03  4.5230000000e-04  2.3143000000e-03
+
+JOB 36
+COORDS  5.5113100000e-01 -1.1455620000e+00  1.0813570000e+00  8.3707000000e-02 -1.9807620000e+00  1.0676650000e+00  1.1886630000e+00 -1.2389210000e+00  1.7892180000e+00 -6.2047700000e-01  1.1748470000e+00 -1.1427960000e+00  1.0198000000e-02  8.1065100000e-01 -5.2163500000e-01 -2.3103500000e-01  2.0033890000e+00 -1.4222340000e+00
+ENERGY -1.526585924353e+02
+FORCES -1.2590000000e-04 -5.4834000000e-03  3.3752000000e-03  2.6982000000e-03  3.1471000000e-03  8.7970000000e-04 -2.7063000000e-03  2.6460000000e-04 -3.0250000000e-03  4.4131000000e-03 -1.3010000000e-04  2.8976000000e-03 -3.0431000000e-03  5.2481000000e-03 -5.3441000000e-03 -1.2360000000e-03 -3.0464000000e-03  1.2166000000e-03
+
+JOB 37
+COORDS -1.3440590000e+00  1.0667180000e+00  4.6807400000e-01 -8.7463400000e-01  1.3065180000e+00 -3.3090600000e-01 -7.6235000000e-01  1.3371270000e+00  1.1785150000e+00  1.2785240000e+00 -1.0371290000e+00 -4.9611100000e-01  1.7380080000e+00 -1.2172160000e+00  3.2405700000e-01  9.6934100000e-01 -1.8936610000e+00 -7.9105200000e-01
+ENERGY -1.526551052828e+02
+FORCES  6.6333000000e-03  1.2780000000e-04 -1.6286000000e-03 -3.5168000000e-03  1.0238000000e-03  3.1143000000e-03 -2.6349000000e-03 -5.7250000000e-04 -1.8328000000e-03 -7.8530000000e-04 -5.0341000000e-03  2.6074000000e-03 -1.6045000000e-03  1.1224000000e-03 -3.2293000000e-03  1.9083000000e-03  3.3325000000e-03  9.6900000000e-04
+
+JOB 38
+COORDS  6.4156600000e-01  4.5549900000e-01  1.6000800000e+00  2.1144100000e-01 -3.0960500000e-01  1.2181910000e+00  1.4369310000e+00  1.0741700000e-01  2.0031500000e+00 -6.1578300000e-01 -4.1744300000e-01 -1.6160330000e+00 -1.1486790000e+00 -4.9968100000e-01 -8.2515400000e-01 -1.0776200000e+00  2.2852600000e-01 -2.1505070000e+00
+ENERGY -1.526533607077e+02
+FORCES  3.0671000000e-03 -4.8645000000e-03 -1.3020000000e-03 -8.8940000000e-04  2.9956000000e-03  2.0898000000e-03 -3.2951000000e-03  1.6190000000e-03 -1.2984000000e-03 -4.2852000000e-03  4.3756000000e-03  2.5740000000e-04  3.6863000000e-03 -9.3970000000e-04 -1.4995000000e-03  1.7163000000e-03 -3.1861000000e-03  1.7527000000e-03
+
+JOB 39
+COORDS  1.3657070000e+00 -8.5253900000e-01 -7.1561500000e-01  1.3278820000e+00 -8.0454500000e-01 -1.6708620000e+00  2.2109610000e+00 -4.6462800000e-01 -4.8911600000e-01 -1.3815620000e+00  8.7346800000e-01  7.9209900000e-01 -1.0122600000e+00  3.6811800000e-01  6.7897000000e-02 -2.2779360000e+00  5.4902500000e-01  8.7859600000e-01
+ENERGY -1.526571549726e+02
+FORCES  6.0673000000e-03  1.3426000000e-03 -2.1646000000e-03 -8.7990000000e-04  1.8660000000e-04  4.4073000000e-03 -3.3280000000e-03 -2.1229000000e-03 -1.7085000000e-03 -1.1940000000e-04 -4.5912000000e-03 -2.6506000000e-03 -5.1027000000e-03  3.9701000000e-03  2.6150000000e-03  3.3628000000e-03  1.2149000000e-03 -4.9870000000e-04
+
+JOB 40
+COORDS  1.0816010000e+00  1.1566520000e+00 -7.6829200000e-01  1.0746340000e+00  1.9965140000e+00 -3.0914700000e-01  2.0054090000e+00  9.0801600000e-01 -7.9978200000e-01 -1.1658340000e+00 -1.2418220000e+00  7.2103700000e-01 -3.0462100000e-01 -1.1865910000e+00  1.1351540000e+00 -1.4721830000e+00 -3.3578500000e-01  6.8258200000e-01
+ENERGY -1.526549280519e+02
+FORCES  4.7600000000e-03  2.6387000000e-03 -1.3700000000e-05 -6.5630000000e-04 -4.1598000000e-03 -1.3773000000e-03 -4.0490000000e-03  1.0935000000e-03  6.0680000000e-04  4.0298000000e-03  5.6978000000e-03 -7.1060000000e-04 -3.5555000000e-03 -1.5260000000e-03 -4.7500000000e-05 -5.2890000000e-04 -3.7443000000e-03  1.5423000000e-03
+
+JOB 41
+COORDS  1.4943660000e+00  9.0082800000e-01 -5.8519000000e-01  1.2908880000e+00  1.6321280000e+00 -1.1683100000e+00  6.5926900000e-01  4.4800300000e-01 -4.6773800000e-01 -1.4357100000e+00 -9.0199300000e-01  6.7327500000e-01 -1.5787240000e+00 -3.1617300000e-01 -7.0091000000e-02 -1.1742950000e+00 -1.7331660000e+00  2.7698600000e-01
+ENERGY -1.526540378778e+02
+FORCES -3.9603000000e-03  9.7680000000e-04 -1.0170000000e-04  2.8730000000e-04 -3.3522000000e-03  2.3862000000e-03  3.0439000000e-03  2.6205000000e-03 -3.6680000000e-03 -2.3181000000e-03 -3.0955000000e-03 -3.3407000000e-03  3.8243000000e-03 -1.7546000000e-03  3.1394000000e-03 -8.7700000000e-04  4.6051000000e-03  1.5847000000e-03
+
+JOB 42
+COORDS -1.3706110000e+00  3.2766600000e-01  1.2009040000e+00 -1.3593230000e+00 -4.1238800000e-01  5.9392400000e-01 -8.7479000000e-01  2.2480000000e-02  1.9606770000e+00  1.2887520000e+00 -2.4057800000e-01 -1.1767990000e+00  1.3133490000e+00 -9.2473500000e-01 -1.8457960000e+00  2.1711470000e+00  1.3036400000e-01 -1.1803300000e+00
+ENERGY -1.526545862591e+02
+FORCES  4.3674000000e-03 -4.2763000000e-03 -1.3407000000e-03 -2.2987000000e-03  2.0791000000e-03  3.3470000000e-03 -2.3846000000e-03  1.2910000000e-03 -2.1529000000e-03  4.5713000000e-03  1.8950000000e-04 -3.0192000000e-03 -7.1990000000e-04  2.6546000000e-03  3.2953000000e-03 -3.5355000000e-03 -1.9379000000e-03 -1.2950000000e-04
+
+JOB 43
+COORDS -1.4046160000e+00 -1.6000400000e-01 -1.2098330000e+00 -2.2509330000e+00 -1.2988300000e-01 -7.6365700000e-01 -7.6647500000e-01  5.1786000000e-02 -5.2854500000e-01  1.3711820000e+00  1.9278100000e-01  1.1113030000e+00  1.2360120000e+00 -1.4747100000e-01  1.9957170000e+00  2.2028990000e+00 -1.8961500000e-01  8.3156600000e-01
+ENERGY -1.526585308926e+02
+FORCES  1.0764000000e-03  1.4926000000e-03  5.3428000000e-03  2.9960000000e-03 -2.5390000000e-04 -1.5191000000e-03 -6.1385000000e-03 -1.2958000000e-03 -4.9167000000e-03  5.2331000000e-03 -3.0679000000e-03  3.2294000000e-03  3.4870000000e-04  1.4485000000e-03 -3.9683000000e-03 -3.5158000000e-03  1.6766000000e-03  1.8319000000e-03
+
+JOB 44
+COORDS  6.1002400000e-01 -1.1276080000e+00  1.2796260000e+00  1.2549490000e+00 -1.5345300000e+00  7.0107800000e-01  8.4224000000e-02 -1.8584660000e+00  1.6046060000e+00 -5.7681300000e-01  1.1959720000e+00 -1.3204590000e+00 -4.2705300000e-01  8.3636600000e-01 -4.4611000000e-01 -1.4431560000e+00  1.5997150000e+00 -1.2687440000e+00
+ENERGY -1.526581963485e+02
+FORCES  1.5710000000e-03 -6.4386000000e-03 -2.0970000000e-04 -3.0581000000e-03  1.7513000000e-03  2.8022000000e-03  2.3009000000e-03  3.1202000000e-03 -1.3684000000e-03 -2.1598000000e-03 -5.8980000000e-04  5.0585000000e-03 -1.7477000000e-03  3.7292000000e-03 -6.0605000000e-03  3.0936000000e-03 -1.5723000000e-03 -2.2220000000e-04
+
+JOB 45
+COORDS  1.0258980000e+00 -1.1446990000e+00  9.6889900000e-01  7.4130500000e-01 -1.8091130000e+00  1.5964280000e+00  1.6714910000e+00 -6.2409400000e-01  1.4468240000e+00 -1.0923630000e+00  1.1574450000e+00 -1.0778870000e+00 -1.2538100000e+00  1.3261180000e+00 -1.4960000000e-01 -1.6454400000e-01  9.2627500000e-01 -1.1219790000e+00
+ENERGY -1.526559174449e+02
+FORCES  1.5119000000e-03 -2.5850000000e-03  5.0321000000e-03  1.5320000000e-03  3.0358000000e-03 -2.3438000000e-03 -3.2502000000e-03 -1.5225000000e-03 -2.4883000000e-03  4.0653000000e-03 -2.6170000000e-03  4.5909000000e-03 -1.9650000000e-04  6.6640000000e-04 -3.6040000000e-03 -3.6625000000e-03  3.0224000000e-03 -1.1869000000e-03
+
+JOB 46
+COORDS  5.9877900000e-01 -1.6493250000e+00  5.3450900000e-01  1.4013550000e+00 -1.9431130000e+00  9.6554500000e-01 -1.0185700000e-01 -1.8951330000e+00  1.1385940000e+00 -5.7035100000e-01  1.6776890000e+00 -5.2730400000e-01 -6.9072900000e-01  9.3531000000e-01 -1.1194310000e+00 -9.2572700000e-01  2.4265520000e+00 -1.0059940000e+00
+ENERGY -1.526549188647e+02
+FORCES  9.7250000000e-04 -1.3159000000e-03  5.2089000000e-03 -3.3269000000e-03  7.3960000000e-04 -1.7069000000e-03  2.7771000000e-03  4.5030000000e-04 -2.8081000000e-03 -1.0881000000e-03 -1.3760000000e-03 -4.4188000000e-03 -8.5740000000e-04  4.5440000000e-03  1.6425000000e-03  1.5227000000e-03 -3.0419000000e-03  2.0825000000e-03
+
+JOB 47
+COORDS  4.3060000000e-03 -1.2679570000e+00 -1.4179970000e+00  3.9338600000e-01 -1.0132440000e+00 -5.8135500000e-01  6.9102400000e-01 -1.0995340000e+00 -2.0631990000e+00 -6.5835000000e-02  1.1821480000e+00  1.3981450000e+00 -4.1430100000e-01  1.9560860000e+00  9.5562600000e-01  5.5125600000e-01  1.5309680000e+00  2.0413830000e+00
+ENERGY -1.526567930847e+02
+FORCES  3.9813000000e-03  2.4695000000e-03  2.4815000000e-03 -6.3950000000e-04 -3.2025000000e-03 -5.5100000000e-03 -2.6274000000e-03 -5.3610000000e-04  2.2961000000e-03 -2.8800000000e-04  5.8582000000e-03  1.4236000000e-03  2.0011000000e-03 -2.9835000000e-03  2.3342000000e-03 -2.4275000000e-03 -1.6055000000e-03 -3.0255000000e-03
+
+JOB 48
+COORDS -1.8693560000e+00 -3.0879800000e-01 -4.0440100000e-01 -1.6281580000e+00 -9.9173500000e-01 -1.0302220000e+00 -1.0388250000e+00  1.0408600000e-01 -1.6780800000e-01  1.8192300000e+00  2.6282000000e-01  4.2783900000e-01  1.7590710000e+00  9.0454300000e-01  1.1355150000e+00  1.7347780000e+00  7.8016000000e-01 -3.7307200000e-01
+ENERGY -1.526560811976e+02
+FORCES  5.6748000000e-03 -2.3092000000e-03 -5.0300000000e-04 -1.4606000000e-03  2.9191000000e-03  1.8793000000e-03 -5.2702000000e-03  1.6130000000e-04 -2.1645000000e-03  2.9181000000e-03  5.0828000000e-03  6.9960000000e-04 -3.7710000000e-04 -2.9116000000e-03 -3.6436000000e-03 -1.4850000000e-03 -2.9424000000e-03  3.7322000000e-03
+
+JOB 49
+COORDS -3.9634500000e-01 -1.5101160000e+00 -9.9334800000e-01 -4.7284900000e-01 -7.8920900000e-01 -1.6183850000e+00 -8.0840800000e-01 -2.2537810000e+00 -1.4331190000e+00  4.3240300000e-01  1.5509100000e+00  1.1026380000e+00 -3.8535900000e-01  1.4277270000e+00  6.2064000000e-01  1.0358590000e+00  9.1529600000e-01  7.1784400000e-01
+ENERGY -1.526553850121e+02
+FORCES -2.5000000000e-03 -2.1232000000e-03 -5.0396000000e-03  5.4530000000e-04 -2.1455000000e-03  3.8151000000e-03  1.7295000000e-03  3.3497000000e-03  1.6490000000e-03 -1.1931000000e-03 -5.1176000000e-03 -2.7989000000e-03  3.2290000000e-03  1.8568000000e-03  1.1247000000e-03 -1.8107000000e-03  4.1799000000e-03  1.2497000000e-03
+
+JOB 50
+COORDS  1.2816630000e+00 -1.3589500000e+00  3.7009600000e-01  1.9422750000e+00 -6.9632600000e-01  5.7197000000e-01  7.6157200000e-01 -1.4309460000e+00  1.1704410000e+00 -1.3510070000e+00  1.3150290000e+00 -4.2046900000e-01 -7.6610700000e-01  2.0472820000e+00 -2.2571400000e-01 -7.8956100000e-01  6.6536300000e-01 -8.4348800000e-01
+ENERGY -1.526564117540e+02
+FORCES  1.0870000000e-03  1.0171000000e-03  5.6309000000e-03 -3.1914000000e-03 -2.2339000000e-03 -1.4068000000e-03  2.7074000000e-03  2.7320000000e-04 -3.6655000000e-03  5.0877000000e-03 -6.9720000000e-04 -1.6567000000e-03 -2.1862000000e-03 -2.7873000000e-03 -3.7500000000e-04 -3.5045000000e-03  4.4281000000e-03  1.4732000000e-03
+
+JOB 51
+COORDS -1.8933360000e+00 -9.4907000000e-02 -4.8698200000e-01 -1.7099330000e+00 -4.4947400000e-01  3.8300500000e-01 -1.5483160000e+00 -7.5194800000e-01 -1.0915400000e+00  1.9063180000e+00  1.1014100000e-01  4.6727600000e-01  1.4104090000e+00  3.7819700000e-01  1.2408730000e+00  1.5726130000e+00  6.6663800000e-01 -2.3641700000e-01
+ENERGY -1.526557381674e+02
+FORCES  1.7151000000e-03 -5.4853000000e-03  8.9990000000e-04 -7.0630000000e-04  2.3055000000e-03 -3.1988000000e-03 -1.6854000000e-03  3.2168000000e-03  2.2268000000e-03 -3.4381000000e-03  4.6375000000e-03 -3.4600000000e-05  1.8335000000e-03 -1.8826000000e-03 -2.7359000000e-03  2.2812000000e-03 -2.7920000000e-03  2.8426000000e-03
+
+JOB 52
+COORDS  7.0118200000e-01 -9.8707600000e-01 -1.5066400000e+00  4.6936900000e-01 -1.7531560000e+00 -2.0316310000e+00  1.3988980000e+00 -1.2948210000e+00 -9.2809200000e-01 -7.2964100000e-01  9.9482100000e-01  1.5502360000e+00  7.3070000000e-03  1.5836940000e+00  1.3878490000e+00 -1.3885330000e+00  1.2513850000e+00  9.0504700000e-01
+ENERGY -1.526546563806e+02
+FORCES  1.6613000000e-03 -4.8263000000e-03  1.2366000000e-03  8.7890000000e-04  3.1790000000e-03  2.0162000000e-03 -2.2489000000e-03  1.3269000000e-03 -3.0200000000e-03  4.1710000000e-04  2.7510000000e-03 -5.0644000000e-03 -2.6775000000e-03 -2.1213000000e-03  1.3868000000e-03  1.9692000000e-03 -3.0930000000e-04  3.4448000000e-03
+
+JOB 53
+COORDS -7.3562400000e-01  1.1081130000e+00  1.4051790000e+00 -7.7650800000e-01  1.1580470000e+00  2.3602010000e+00 -1.6508460000e+00  1.1174540000e+00  1.1249760000e+00  8.2071600000e-01 -1.1035580000e+00 -1.4949350000e+00  8.2810600000e-01 -5.3290300000e-01 -7.2647500000e-01  2.3021900000e-01 -1.8184550000e+00 -1.2573070000e+00
+ENERGY -1.526570071680e+02
+FORCES -4.5755000000e-03  1.5936000000e-03  3.6762000000e-03 -8.5400000000e-05 -2.7390000000e-04 -4.1071000000e-03  3.9953000000e-03 -4.4750000000e-04  1.3966000000e-03 -2.4223000000e-03  4.5260000000e-04  5.2151000000e-03  9.9650000000e-04 -3.6977000000e-03 -4.8589000000e-03  2.0913000000e-03  2.3728000000e-03 -1.3219000000e-03
+
+JOB 54
+COORDS -1.1049730000e+00  1.6356300000e+00  2.8328900000e-01 -1.3762130000e+00  1.8316620000e+00  1.1800790000e+00 -1.4632430000e+00  7.6528100000e-01  1.0902700000e-01  1.1762390000e+00 -1.6230640000e+00 -3.7264400000e-01  6.6734400000e-01 -2.0765590000e+00  2.9936800000e-01  1.0480280000e+00 -6.9339600000e-01 -1.8419700000e-01
+ENERGY -1.526553573993e+02
+FORCES -4.5249000000e-03 -1.1565000000e-03  2.7290000000e-03  1.3509000000e-03 -1.2215000000e-03 -3.9092000000e-03  2.9868000000e-03  3.3859000000e-03  1.4370000000e-03 -1.3304000000e-03  2.6306000000e-03  3.5270000000e-03  1.4129000000e-03  2.0309000000e-03 -2.8699000000e-03  1.0470000000e-04 -5.6693000000e-03 -9.1380000000e-04
+
+JOB 55
+COORDS  5.6955800000e-01  7.8586300000e-01 -1.8106070000e+00  1.4336160000e+00  5.9567800000e-01 -1.4452770000e+00 -4.5762000000e-02  4.5716400000e-01 -1.1551910000e+00 -5.8953200000e-01 -7.1237300000e-01  1.7056710000e+00 -1.2211660000e+00 -1.2615890000e+00  2.1700330000e+00  2.5836000000e-01 -9.5421700000e-01  2.0782610000e+00
+ENERGY -1.526567195813e+02
+FORCES  6.2800000000e-05 -2.4158000000e-03  5.3368000000e-03 -2.7523000000e-03  7.7270000000e-04 -1.6528000000e-03  3.1365000000e-03  2.0451000000e-03 -4.7956000000e-03  2.7900000000e-05 -3.7498000000e-03  4.8824000000e-03  2.9322000000e-03  2.2562000000e-03 -1.7124000000e-03 -3.4071000000e-03  1.0916000000e-03 -2.0584000000e-03
+
+JOB 56
+COORDS  6.9435300000e-01  9.4278700000e-01 -1.6894850000e+00  2.8132600000e-01  2.3915600000e-01 -2.1900290000e+00  1.1983670000e+00  4.9163200000e-01 -1.0122400000e+00 -6.4417600000e-01 -8.9432500000e-01  1.7195810000e+00 -6.7114100000e-01 -7.2279800000e-01  7.7826200000e-01 -1.5617770000e+00 -8.8366900000e-01  1.9918440000e+00
+ENERGY -1.526545512698e+02
+FORCES  2.3473000000e-03 -3.7719000000e-03 -4.2530000000e-04  1.0669000000e-03  2.8682000000e-03  3.1424000000e-03 -3.6518000000e-03  1.4964000000e-03 -3.0327000000e-03 -4.8037000000e-03  1.5814000000e-03 -2.3047000000e-03  1.2566000000e-03 -1.8441000000e-03  3.7103000000e-03  3.7848000000e-03 -3.2990000000e-04 -1.0899000000e-03
+
+JOB 57
+COORDS -1.0174420000e+00 -7.5672500000e-01  1.7110390000e+00 -1.3916690000e+00 -1.4319150000e+00  1.1450860000e+00 -7.6609500000e-01 -5.3707000000e-02  1.1120210000e+00  1.0107220000e+00  6.9603100000e-01 -1.6645240000e+00  8.5641200000e-01  1.4942390000e+00 -2.1697800000e+00  1.4460590000e+00  9.9720900000e-01 -8.6702400000e-01
+ENERGY -1.526555803238e+02
+FORCES -5.6670000000e-04 -2.7700000000e-04 -5.9109000000e-03  1.1027000000e-03  2.4538000000e-03  2.8726000000e-03 -6.6520000000e-04 -2.1710000000e-03  3.8528000000e-03  2.7222000000e-03  4.8133000000e-03 -2.0510000000e-04  5.3680000000e-04 -3.4525000000e-03  2.3816000000e-03 -3.1298000000e-03 -1.3667000000e-03 -2.9910000000e-03
+
+JOB 58
+COORDS  2.0696420000e+00 -1.8391100000e-01 -1.5905700000e-01  2.8092450000e+00 -1.9839100000e-01 -7.6651800000e-01  1.3919410000e+00  3.1253200000e-01 -6.1785600000e-01 -2.0112530000e+00  1.6149300000e-01  2.0857000000e-01 -2.5534830000e+00 -6.1493900000e-01  6.9388000000e-02 -2.6146550000e+00  8.1552800000e-01  5.6123900000e-01
+ENERGY -1.526552191550e+02
+FORCES -1.1261000000e-03  2.1587000000e-03 -4.0360000000e-03 -2.9197000000e-03 -1.7400000000e-05  2.4140000000e-03  4.6554000000e-03 -1.8304000000e-03  1.1953000000e-03 -5.0020000000e-03 -1.0965000000e-03  1.6661000000e-03  1.9448000000e-03  3.4548000000e-03  4.0630000000e-04  2.4476000000e-03 -2.6692000000e-03 -1.6456000000e-03
+
+JOB 59
+COORDS -2.7959100000e-01 -1.4034230000e+00  1.5006820000e+00  2.5694100000e-01 -1.5742560000e+00  7.2661500000e-01 -7.1481000000e-01 -2.2369430000e+00  1.6797360000e+00  2.9605600000e-01  1.4845390000e+00 -1.5250000000e+00  3.0906600000e-01  1.8912900000e+00 -6.5861900000e-01 -1.2002300000e-01  6.3401300000e-01 -1.3845890000e+00
+ENERGY -1.526550545684e+02
+FORCES  6.6510000000e-04 -5.3477000000e-03 -1.1756000000e-03 -3.0996000000e-03  1.7146000000e-03  2.5583000000e-03  1.9313000000e-03  3.5532000000e-03 -8.8780000000e-04 -2.5078000000e-03 -1.1815000000e-03  4.8162000000e-03  3.8770000000e-04 -1.3861000000e-03 -4.0979000000e-03  2.6232000000e-03  2.6475000000e-03 -1.2133000000e-03
+
+JOB 60
+COORDS  2.0662900000e+00  2.8149300000e-01  1.7370700000e-01  1.7059080000e+00 -5.9335300000e-01  3.1862200000e-01  2.9975330000e+00  1.9415900000e-01  3.7715700000e-01 -2.1043880000e+00 -2.4403200000e-01 -1.2729300000e-01 -1.3331970000e+00  1.4511500000e-01 -5.3967600000e-01 -2.6945860000e+00 -4.3674800000e-01 -8.5582500000e-01
+ENERGY -1.526555985720e+02
+FORCES  3.1292000000e-03 -3.9040000000e-03  2.2808000000e-03  1.3853000000e-03  4.0535000000e-03 -1.4003000000e-03 -3.7593000000e-03  1.9700000000e-04 -8.3070000000e-04  6.7800000000e-04  1.8291000000e-03 -4.7213000000e-03 -3.8074000000e-03 -2.8482000000e-03  1.7059000000e-03  2.3742000000e-03  6.7270000000e-04  2.9657000000e-03
+
+JOB 61
+COORDS -1.7116000000e-01 -7.2366800000e-01 -2.0704050000e+00  4.3640700000e-01 -5.8917600000e-01 -1.3430770000e+00 -9.1629400000e-01 -1.5779100000e-01 -1.8684370000e+00  1.5533000000e-01  6.7127900000e-01  1.9458060000e+00 -3.5700400000e-01  6.3110500000e-01  2.7533530000e+00  1.0383750000e+00  9.0346200000e-01  2.2331280000e+00
+ENERGY -1.526561944565e+02
+FORCES -7.4450000000e-04  3.1825000000e-03  5.2257000000e-03 -1.5654000000e-03 -1.0085000000e-03 -4.2694000000e-03  2.5041000000e-03 -2.3214000000e-03 -1.7817000000e-03  1.1876000000e-03  9.0520000000e-04  5.5584000000e-03  2.2863000000e-03  3.6120000000e-04 -3.2648000000e-03 -3.6681000000e-03 -1.1190000000e-03 -1.4682000000e-03
+
+JOB 62
+COORDS -1.9596480000e+00 -5.9967700000e-01 -3.9980400000e-01 -2.7654380000e+00 -1.5777000000e-01 -1.3212600000e-01 -2.1661350000e+00 -9.7843300000e-01 -1.2542850000e+00  1.9989410000e+00  5.9833200000e-01  3.6322500000e-01  1.6030580000e+00  3.2932000000e-02  1.0264230000e+00  2.6612910000e+00  1.0992390000e+00  8.3926900000e-01
+ENERGY -1.526542508453e+02
+FORCES -3.8476000000e-03  7.4680000000e-04 -3.1574000000e-03  3.2382000000e-03 -1.9448000000e-03 -9.0440000000e-04  4.8970000000e-04  1.3578000000e-03  3.6449000000e-03 -7.6800000000e-05 -7.6550000000e-04  4.5674000000e-03  2.8879000000e-03  2.5010000000e-03 -2.1696000000e-03 -2.6914000000e-03 -1.8953000000e-03 -1.9810000000e-03
+
+JOB 63
+COORDS  1.6205220000e+00  4.7413700000e-01  1.3341350000e+00  2.1255020000e+00  9.6090900000e-01  1.9855020000e+00  8.9658500000e-01  9.0713000000e-02  1.8292430000e+00 -1.5714980000e+00 -4.2778200000e-01 -1.3832340000e+00 -1.4070880000e+00 -1.0765970000e+00 -2.0675150000e+00 -2.3945450000e+00 -7.0601300000e-01 -9.8147100000e-01
+ENERGY -1.526534508835e+02
+FORCES -1.7599000000e-03  4.1230000000e-04  4.1153000000e-03 -2.0076000000e-03 -1.9685000000e-03 -2.7326000000e-03  3.4330000000e-03  1.4530000000e-03 -1.1867000000e-03 -2.2065000000e-03 -3.7551000000e-03 -1.7596000000e-03 -9.9510000000e-04  2.6508000000e-03  2.8016000000e-03  3.5362000000e-03  1.2075000000e-03 -1.2380000000e-03
+
+JOB 64
+COORDS  2.6642400000e-01 -1.5337540000e+00 -1.5186560000e+00  1.0191530000e+00 -1.2688640000e+00 -9.9001200000e-01  3.7347700000e-01 -2.4781210000e+00 -1.6324250000e+00 -2.8922400000e-01  1.5940880000e+00  1.5516860000e+00 -5.3069500000e-01  2.1453830000e+00  8.0737600000e-01 -5.2762800000e-01  7.0746500000e-01  1.2809560000e+00
+ENERGY -1.526556310579e+02
+FORCES  4.1197000000e-03 -3.5322000000e-03  7.2250000000e-04 -3.9346000000e-03 -9.6270000000e-04 -1.8381000000e-03 -3.7790000000e-04  3.9829000000e-03  5.3820000000e-04 -2.8827000000e-03 -1.3621000000e-03 -4.4899000000e-03  1.2417000000e-03 -1.9293000000e-03  3.2673000000e-03  1.8337000000e-03  3.8033000000e-03  1.8000000000e-03
+
+JOB 65
+COORDS  1.1896020000e+00 -1.4354450000e+00  1.2832750000e+00  1.0300940000e+00 -1.9022790000e+00  4.6299800000e-01  5.1013800000e-01 -7.6185000000e-01  1.3120930000e+00 -1.0756010000e+00  1.4090910000e+00 -1.2722090000e+00 -1.1985690000e+00  1.7283240000e+00 -3.7822800000e-01 -1.9634900000e+00  1.2694820000e+00 -1.6014430000e+00
+ENERGY -1.526546746247e+02
+FORCES -3.3461000000e-03  1.2438000000e-03 -4.3802000000e-03  7.8170000000e-04  1.2050000000e-03  3.7855000000e-03  2.4767000000e-03 -2.5360000000e-03  9.9630000000e-04 -4.6106000000e-03  2.0530000000e-03  1.3937000000e-03  8.1910000000e-04 -2.3603000000e-03 -3.3489000000e-03  3.8791000000e-03  3.9450000000e-04  1.5537000000e-03
+
+JOB 66
+COORDS  2.1474100000e+00  4.2131000000e-01 -2.1861000000e-02  2.7162120000e+00  7.6435500000e-01  6.6735400000e-01  2.0438200000e+00 -5.0595700000e-01  1.9186200000e-01 -2.1167300000e+00 -4.1208200000e-01 -4.2261000000e-02 -2.9714510000e+00 -7.5245100000e-01 -3.0651900000e-01 -2.3150190000e+00  2.3583600000e-01  6.3384300000e-01
+ENERGY -1.526539868592e+02
+FORCES  1.1518000000e-03 -3.0035000000e-03  3.3311000000e-03 -2.4204000000e-03 -1.2109000000e-03 -2.7214000000e-03  1.3790000000e-03  3.9008000000e-03 -6.3220000000e-04 -4.1166000000e-03  2.0062000000e-03  1.4431000000e-03  3.5697000000e-03  1.3018000000e-03  1.1020000000e-03  4.3640000000e-04 -2.9945000000e-03 -2.5225000000e-03
+
+JOB 67
+COORDS -1.1991530000e+00  1.5592170000e+00  1.0606600000e+00 -3.6467400000e-01  2.0281010000e+00  1.0656750000e+00 -1.0238440000e+00  7.5212500000e-01  1.5445000000e+00  1.1226810000e+00 -1.5298400000e+00 -1.0198510000e+00  1.9215280000e+00 -1.2109820000e+00 -1.4398550000e+00  6.9135500000e-01 -2.0562690000e+00 -1.6929500000e+00
+ENERGY -1.526547653967e+02
+FORCES  4.7985000000e-03 -2.5512000000e-03  1.2456000000e-03 -3.3936000000e-03 -1.1900000000e-03  2.1150000000e-04 -1.3265000000e-03  3.8338000000e-03 -1.0924000000e-03  1.0443000000e-03 -8.0590000000e-04 -5.0624000000e-03 -3.1546000000e-03 -1.2274000000e-03  1.9111000000e-03  2.0318000000e-03  1.9406000000e-03  2.7866000000e-03
+
+JOB 68
+COORDS -2.2302040000e+00 -3.0289000000e-02  4.9350100000e-01 -1.4168060000e+00  3.6807300000e-01  8.0321500000e-01 -2.1641000000e+00  1.2300000000e-04 -4.6092900000e-01  2.1194710000e+00  2.4435000000e-02 -4.0527500000e-01  2.9645840000e+00  4.6136500000e-01 -5.1066800000e-01  2.1518140000e+00 -7.1135000000e-01 -1.0166720000e+00
+ENERGY -1.526557782122e+02
+FORCES  4.6905000000e-03  1.9340000000e-03 -2.5333000000e-03 -4.5336000000e-03 -1.4654000000e-03 -8.3500000000e-04 -8.3900000000e-04 -3.7310000000e-04  3.5012000000e-03  4.4878000000e-03 -1.5104000000e-03 -2.8317000000e-03 -3.5193000000e-03 -1.8884000000e-03  3.2980000000e-04 -2.8640000000e-04  3.3033000000e-03  2.3690000000e-03
+
+JOB 69
+COORDS -2.0079300000e+00 -1.6722500000e-01 -9.2178700000e-01 -2.1493260000e+00  7.7492700000e-01 -1.0144630000e+00 -2.5611290000e+00 -5.6046100000e-01 -1.5967440000e+00  2.0855790000e+00  1.4968500000e-01  9.3743700000e-01  1.8276330000e+00  5.6301400000e-01  1.7613640000e+00  1.5055200000e+00 -6.0746200000e-01  8.5686100000e-01
+ENERGY -1.526551683802e+02
+FORCES -2.7659000000e-03  2.5972000000e-03 -3.6224000000e-03  2.0640000000e-04 -3.9668000000e-03  5.0910000000e-04  2.2142000000e-03  1.6082000000e-03  2.8081000000e-03 -4.3097000000e-03 -1.7445000000e-03  2.4938000000e-03  1.2484000000e-03 -1.3983000000e-03 -3.1411000000e-03  3.4066000000e-03  2.9042000000e-03  9.5260000000e-04
+
+JOB 70
+COORDS  9.1297000000e-02  2.3314890000e+00 -2.0491700000e-01 -1.4723600000e-01  1.7016510000e+00  4.7525800000e-01 -2.5024300000e-01  1.9514530000e+00 -1.0143340000e+00  9.0600000000e-03 -2.2622250000e+00  2.5079500000e-01 -3.7034100000e-01 -1.7804360000e+00 -4.8416500000e-01 -6.5145900000e-01 -2.9178890000e+00  4.7451600000e-01
+ENERGY -1.526539661858e+02
+FORCES -1.8303000000e-03 -4.1217000000e-03  3.6900000000e-05  4.8650000000e-04  3.0139000000e-03 -3.3751000000e-03  1.1805000000e-03  1.1621000000e-03  3.1953000000e-03 -3.9901000000e-03 -1.9415000000e-03 -2.2831000000e-03  1.3815000000e-03 -1.0647000000e-03  3.3959000000e-03  2.7719000000e-03  2.9518000000e-03 -9.7000000000e-04
+
+JOB 71
+COORDS -6.1923100000e-01  2.0076840000e+00 -8.9469100000e-01 -7.1562200000e-01  2.5638240000e+00 -1.2161300000e-01 -9.2948900000e-01  2.5494580000e+00 -1.6202620000e+00  6.3931300000e-01 -2.0776620000e+00  9.5884100000e-01  1.9706700000e-01 -1.4470590000e+00  3.9051800000e-01  1.1489840000e+00 -2.6238520000e+00  3.6039000000e-01
+ENERGY -1.526557551614e+02
+FORCES -1.6906000000e-03  5.1550000000e-03  1.5320000000e-04  2.9080000000e-04 -2.3151000000e-03 -3.3684000000e-03  1.2779000000e-03 -2.1600000000e-03  3.0238000000e-03  1.1910000000e-04  1.1310000000e-03 -5.1512000000e-03  1.9432000000e-03 -3.7049000000e-03  2.9101000000e-03 -1.9404000000e-03  1.8940000000e-03  2.4326000000e-03
+
+JOB 72
+COORDS  2.1969440000e+00 -4.0130000000e-01  9.5764100000e-01  1.3115000000e+00 -7.1950200000e-01  7.8166700000e-01  2.5070500000e+00 -7.5108000000e-02  1.1285400000e-01 -2.1483230000e+00  3.5296100000e-01 -9.4555900000e-01 -1.5847690000e+00  1.0261050000e+00 -5.6409500000e-01 -3.0161450000e+00  5.3351000000e-01 -5.8428500000e-01
+ENERGY -1.526549594501e+02
+FORCES -2.2109000000e-03 -8.5460000000e-04 -4.4181000000e-03  3.9108000000e-03  2.0109000000e-03  1.1060000000e-03 -1.3141000000e-03 -9.5370000000e-04  3.5940000000e-03 -2.2545000000e-03  3.9429000000e-03  2.8196000000e-03 -1.7969000000e-03 -3.4327000000e-03 -1.5767000000e-03  3.6655000000e-03 -7.1280000000e-04 -1.5247000000e-03
+
+JOB 73
+COORDS -2.1362150000e+00 -2.4521300000e-01  1.1117190000e+00 -1.4769170000e+00  2.5626600000e-01  6.3205400000e-01 -1.8861180000e+00 -1.5277100000e-01  2.0310320000e+00  2.1276320000e+00  2.4083200000e-01 -1.1295010000e+00  1.2066880000e+00  5.0147000000e-01 -1.1422490000e+00  2.1092560000e+00 -7.1053900000e-01 -1.2333580000e+00
+ENERGY -1.526536748968e+02
+FORCES  3.4331000000e-03  2.6738000000e-03  2.6571000000e-03 -2.2349000000e-03 -2.3361000000e-03  9.9430000000e-04 -1.1590000000e-03 -4.5460000000e-04 -3.9658000000e-03 -3.3574000000e-03 -3.2903000000e-03 -1.2859000000e-03  3.2270000000e-03 -8.0380000000e-04  1.0323000000e-03  9.1200000000e-05  4.2110000000e-03  5.6800000000e-04
+
+JOB 74
+COORDS -1.8485400000e-01  5.5786300000e-01 -2.4117120000e+00  3.1320400000e-01  6.3952600000e-01 -1.5983850000e+00 -1.0916620000e+00  4.4350000000e-01 -2.1273650000e+00  2.1673000000e-01 -5.7489300000e-01  2.2727820000e+00 -3.0651800000e-01 -1.0219330000e+00  2.9380620000e+00  6.2082000000e-01  1.5780100000e-01  2.7376500000e+00
+ENERGY -1.526553111750e+02
+FORCES -1.5534000000e-03 -7.8260000000e-04  5.2774000000e-03 -1.7629000000e-03  4.0500000000e-04 -4.0253000000e-03  3.3128000000e-03  7.0060000000e-04 -1.6321000000e-03 -3.8600000000e-04  5.8420000000e-04  5.3321000000e-03  2.1539000000e-03  1.9978000000e-03 -2.7079000000e-03 -1.7644000000e-03 -2.9050000000e-03 -2.2442000000e-03
+
+JOB 75
+COORDS  1.6220990000e+00 -5.6505200000e-01  1.9219820000e+00  1.3483870000e+00  1.3670700000e-01  1.3313480000e+00  1.7505090000e+00 -1.3201600000e-01  2.7659140000e+00 -1.6197060000e+00  4.6294000000e-01 -1.8921600000e+00 -8.5696900000e-01  6.4229800000e-01 -2.4419740000e+00 -2.2743030000e+00  1.1019220000e+00 -2.1740060000e+00
+ENERGY -1.526542241525e+02
+FORCES -1.3318000000e-03  4.5452000000e-03  8.0150000000e-04  1.9195000000e-03 -2.6761000000e-03  2.5710000000e-03 -3.9800000000e-04 -1.7412000000e-03 -3.3598000000e-03  5.8000000000e-06  2.9468000000e-03 -3.8888000000e-03 -2.9911000000e-03 -4.9900000000e-04  2.6405000000e-03  2.7955000000e-03 -2.5757000000e-03  1.2356000000e-03
+
+JOB 76
+COORDS -8.3597300000e-01  2.4809780000e+00  1.6651700000e-01 -1.3210120000e+00  2.6742290000e+00  9.6877800000e-01 -1.4094350000e+00  1.8928190000e+00 -3.2485100000e-01  8.7952000000e-01 -2.5253560000e+00 -1.7061700000e-01  8.6835800000e-01 -1.7802210000e+00  4.3011700000e-01  1.1567430000e+00 -2.1541900000e+00 -1.0082420000e+00
+ENERGY -1.526548083366e+02
+FORCES -4.8446000000e-03 -9.3550000000e-04  1.2398000000e-03  2.1080000000e-03 -9.3720000000e-04 -3.3121000000e-03  2.7649000000e-03  2.1907000000e-03  2.0919000000e-03  1.5827000000e-03  4.7714000000e-03 -8.6560000000e-04 -2.6530000000e-04 -3.4140000000e-03 -2.4337000000e-03 -1.3457000000e-03 -1.6755000000e-03  3.2797000000e-03
+
+JOB 77
+COORDS  3.1830800000e-01  1.2895360000e+00 -2.4533210000e+00  9.7653000000e-02  8.6878200000e-01 -1.6223530000e+00 -2.8744200000e-01  2.0279670000e+00 -2.5167170000e+00 -2.7556500000e-01 -1.3057640000e+00  2.4729550000e+00 -5.1874100000e-01 -6.3135100000e-01  1.8387120000e+00  7.2005000000e-02 -2.0214900000e+00  1.9408240000e+00
+ENERGY -1.526532846222e+02
+FORCES -3.3343000000e-03  1.7301000000e-03  2.7707000000e-03  7.9320000000e-04  1.3187000000e-03 -2.9359000000e-03  2.5219000000e-03 -3.2122000000e-03  3.7820000000e-04  5.4040000000e-04 -5.5940000000e-04 -4.3916000000e-03  1.0347000000e-03 -2.5070000000e-03  2.0853000000e-03 -1.5559000000e-03  3.2299000000e-03  2.0932000000e-03
+
+JOB 78
+COORDS  8.5306300000e-01  2.2720190000e+00 -1.5275740000e+00  1.3812850000e+00  3.0682310000e+00 -1.5846760000e+00  8.3866000000e-01  2.0599990000e+00 -5.9426200000e-01 -8.8486000000e-01 -2.2723150000e+00  1.4241190000e+00 -1.1676410000e+00 -1.9705570000e+00  2.2873740000e+00 -5.9178800000e-01 -3.1720310000e+00  1.5685220000e+00
+ENERGY -1.526540147903e+02
+FORCES  1.9199000000e-03  1.8779000000e-03  3.7331000000e-03 -2.1316000000e-03 -3.1958000000e-03  2.0500000000e-04  2.3470000000e-04  1.4086000000e-03 -3.8226000000e-03 -1.1860000000e-04 -2.7744000000e-03  3.9092000000e-03  1.3018000000e-03 -1.0418000000e-03 -3.5389000000e-03 -1.2062000000e-03  3.7255000000e-03 -4.8590000000e-04
+
+JOB 79
+COORDS  2.1221820000e+00 -1.8043850000e+00 -9.6223400000e-01  1.3144010000e+00 -1.3517050000e+00 -7.1974300000e-01  1.8709690000e+00 -2.3682260000e+00 -1.6938120000e+00 -2.0054980000e+00  1.7762390000e+00  9.9669700000e-01 -2.4533100000e+00  2.3027980000e+00  1.6588390000e+00 -2.5481300000e+00  1.8639190000e+00  2.1305600000e-01
+ENERGY -1.526545290838e+02
+FORCES -4.4902000000e-03 -1.4550000000e-04 -1.6057000000e-03  3.4986000000e-03 -2.2224000000e-03 -1.4159000000e-03  1.0330000000e-03  2.2353000000e-03  2.8601000000e-03 -4.1200000000e-03  2.8843000000e-03 -1.3570000000e-04  1.7404000000e-03 -2.1591000000e-03 -2.8032000000e-03  2.3383000000e-03 -5.9260000000e-04  3.1003000000e-03
+
+JOB 80
+COORDS  1.6276180000e+00 -1.9155430000e+00  1.6388970000e+00  2.1679710000e+00 -1.6753530000e+00  8.8619500000e-01  1.1238090000e+00 -1.1255150000e+00  1.8345090000e+00 -1.5956540000e+00  1.9056910000e+00 -1.5865760000e+00 -2.1315950000e+00  1.9632480000e+00 -2.3775790000e+00 -1.7754950000e+00  1.0326060000e+00 -1.2378450000e+00
+ENERGY -1.526544094114e+02
+FORCES  5.2200000000e-04  4.4174000000e-03 -2.1053000000e-03 -2.3260000000e-03 -1.1413000000e-03  3.0383000000e-03  1.7904000000e-03 -3.4319000000e-03 -8.9980000000e-04 -3.2844000000e-03 -3.1934000000e-03 -2.0785000000e-03  2.2238000000e-03 -2.5290000000e-04  3.2611000000e-03  1.0741000000e-03  3.6021000000e-03 -1.2157000000e-03
+
+JOB 81
+COORDS -8.9454500000e-01 -2.9567100000e-01  2.8102800000e+00 -5.7852400000e-01 -4.3669800000e-01  3.7027340000e+00 -4.3239700000e-01 -9.4963500000e-01  2.2858930000e+00  8.4710400000e-01  3.3269800000e-01 -2.8974540000e+00  2.0835600000e-01  1.9926300000e-01 -2.1971480000e+00  1.6556070000e+00  5.6931300000e-01 -2.4429580000e+00
+ENERGY -1.526541610820e+02
+FORCES  2.9628000000e-03 -3.4085000000e-03  2.0584000000e-03 -1.2514000000e-03  5.7690000000e-04 -3.7481000000e-03 -1.7845000000e-03  2.9656000000e-03  1.7225000000e-03  4.8080000000e-04  8.3750000000e-04  4.6869000000e-03  2.8130000000e-03  1.9490000000e-04 -2.8813000000e-03 -3.2208000000e-03 -1.1664000000e-03 -1.8385000000e-03
+
+JOB 82
+COORDS -2.7646510000e+00 -1.3717980000e+00  1.3204800000e-01 -2.8300210000e+00 -5.1438100000e-01  5.5251800000e-01 -1.9033050000e+00 -1.7003690000e+00  3.8964500000e-01  2.7023290000e+00  1.4047790000e+00 -1.7065500000e-01  3.4040710000e+00  1.0119760000e+00 -6.8978500000e-01  2.3583710000e+00  6.8178900000e-01  3.5395000000e-01
+ENERGY -1.526538271303e+02
+FORCES  3.0622000000e-03  2.3696000000e-03  2.6535000000e-03  3.2640000000e-04 -3.6737000000e-03 -1.6288000000e-03 -3.2979000000e-03  1.3011000000e-03 -1.0029000000e-03  1.7817000000e-03 -4.4597000000e-03 -2.0110000000e-04 -2.9253000000e-03  1.5848000000e-03  2.2226000000e-03  1.0529000000e-03  2.8780000000e-03 -2.0433000000e-03
+
+JOB 83
+COORDS -1.3244000000e-02  1.1039530000e+00  2.8264480000e+00 -7.8257800000e-01  1.3175220000e+00  3.3544130000e+00  3.5861700000e-01  1.9535570000e+00  2.5895410000e+00  6.2090000000e-03 -1.2051220000e+00 -2.8955740000e+00 -1.9516900000e-01 -3.6118200000e-01 -2.4912930000e+00  7.8851300000e-01 -1.5106360000e+00 -2.4363420000e+00
+ENERGY -1.526544370674e+02
+FORCES -1.7431000000e-03  4.3357000000e-03  1.6506000000e-03  3.2028000000e-03 -8.1400000000e-04 -2.2262000000e-03 -1.5083000000e-03 -3.5673000000e-03  7.0080000000e-04  2.2929000000e-03  2.0878000000e-03  3.9918000000e-03  8.1450000000e-04 -3.2622000000e-03 -1.9761000000e-03 -3.0586000000e-03  1.2200000000e-03 -2.1409000000e-03
+
+JOB 84
+COORDS -8.2617800000e-01 -9.7852600000e-01 -2.9664900000e+00 -6.8303200000e-01 -1.7954670000e+00 -2.4886330000e+00 -1.3999480000e+00 -1.2226710000e+00 -3.6927220000e+00  7.9288000000e-01  1.0035560000e+00  2.9876410000e+00  1.6245890000e+00  7.2943700000e-01  2.6011820000e+00  9.3649600000e-01  1.9141970000e+00  3.2452050000e+00
+ENERGY -1.526540586819e+02
+FORCES -1.9336000000e-03 -4.3047000000e-03 -7.7070000000e-04 -4.5510000000e-04  3.2739000000e-03 -2.1100000000e-03  2.3699000000e-03  1.0020000000e-03  2.9024000000e-03  3.8949000000e-03  2.7452000000e-03 -8.5300000000e-04 -3.3251000000e-03  1.0027000000e-03  1.7436000000e-03 -5.5100000000e-04 -3.7191000000e-03 -9.1230000000e-04
+
+JOB 85
+COORDS  2.7669820000e+00 -1.8654730000e+00 -9.6395400000e-01  2.7656330000e+00 -2.1979770000e+00 -1.8615460000e+00  2.6859410000e+00 -9.1650200000e-01 -1.0594450000e+00 -2.7587440000e+00  1.8957850000e+00  1.0103240000e+00 -2.7731690000e+00  1.3932220000e+00  1.8248510000e+00 -2.8124770000e+00  1.2351520000e+00  3.1973800000e-01
+ENERGY -1.526542915265e+02
+FORCES -9.5700000000e-05  2.5958000000e-03 -4.0636000000e-03 -8.7800000000e-05  1.3390000000e-03  3.6782000000e-03  2.2710000000e-04 -3.9795000000e-03  3.7430000000e-04 -3.3180000000e-04 -4.8549000000e-03  6.5090000000e-04  2.2800000000e-05  2.1164000000e-03 -3.3439000000e-03  2.6530000000e-04  2.7831000000e-03  2.7041000000e-03
+
+JOB 86
+COORDS  4.1666900000e-01  3.7180380000e+00  1.2065300000e-01  9.6325900000e-01  4.4148540000e+00  4.8386000000e-01 -4.6689400000e-01  3.9215190000e+00  4.2748100000e-01 -3.8091900000e-01 -3.8331680000e+00 -1.3729200000e-01 -2.7236100000e-01 -3.4280230000e+00 -9.9770200000e-01 -7.4897800000e-01 -3.1394020000e+00  4.0993100000e-01
+ENERGY -1.526543119005e+02
+FORCES -1.2548000000e-03  3.8609000000e-03  2.7397000000e-03 -2.2748000000e-03 -2.8567000000e-03 -1.4797000000e-03  3.5725000000e-03 -9.6020000000e-04 -1.2613000000e-03 -9.0300000000e-04  4.6822000000e-03 -1.3015000000e-03 -5.1460000000e-04 -1.7856000000e-03  3.4638000000e-03  1.3748000000e-03 -2.9406000000e-03 -2.1609000000e-03
+
+JOB 87
+COORDS -1.1453780000e+00  1.8811350000e+00  3.4097020000e+00 -8.9115900000e-01  2.3675310000e+00  2.6254670000e+00 -1.0148780000e+00  9.6235600000e-01  3.1750800000e+00  1.1460550000e+00 -1.8813620000e+00 -3.3880050000e+00  1.3524510000e+00 -1.0137640000e+00 -3.0402890000e+00  4.1988900000e-01 -2.1904610000e+00 -2.8463660000e+00
+ENERGY -1.526537701157e+02
+FORCES  1.5535000000e-03 -1.6827000000e-03 -3.9850000000e-03 -1.0251000000e-03 -2.0973000000e-03  3.1191000000e-03 -5.2070000000e-04  3.7553000000e-03  8.1410000000e-04 -2.0920000000e-03  2.1942000000e-03  3.4544000000e-03 -9.0770000000e-04 -3.5309000000e-03 -1.2928000000e-03  2.9920000000e-03  1.3615000000e-03 -2.1098000000e-03
+
+JOB 88
+COORDS  3.6687440000e+00  2.3713070000e+00 -1.4540600000e-01  3.9639870000e+00  2.1180020000e+00 -1.0199920000e+00  3.8287420000e+00  1.5978190000e+00  3.9528700000e-01 -3.6628840000e+00 -2.2956880000e+00  2.2688800000e-01 -4.2123460000e+00 -1.7110820000e+00 -2.9518500000e-01 -3.6646570000e+00 -3.1219080000e+00 -2.5642300000e-01
+ENERGY -1.526540743003e+02
+FORCES  1.7435000000e-03 -4.2654000000e-03 -1.2895000000e-03 -1.1759000000e-03  1.0615000000e-03  3.5278000000e-03 -5.5770000000e-04  3.1882000000e-03 -2.2364000000e-03 -2.2954000000e-03 -8.9750000000e-04 -4.0880000000e-03  2.2357000000e-03 -2.4383000000e-03  2.1159000000e-03  4.9700000000e-05  3.3515000000e-03  1.9702000000e-03
+
+JOB 89
+COORDS  8.6487200000e-01 -8.9978700000e-01  4.4522050000e+00  7.4941700000e-01  4.9225000000e-02  4.4999270000e+00  1.4291780000e+00 -1.0349120000e+00  3.6909350000e+00 -9.4939400000e-01  8.5957500000e-01 -4.3850870000e+00 -5.0780200000e-01  1.0405000000e-02 -4.3968140000e+00 -3.2153700000e-01  1.4621020000e+00 -4.7838200000e+00
+ENERGY -1.526540637947e+02
+FORCES  1.7349000000e-03  3.3607000000e-03 -2.9477000000e-03  5.2290000000e-04 -3.8808000000e-03 -1.6400000000e-04 -2.2461000000e-03  5.2030000000e-04  3.1078000000e-03  4.2857000000e-03 -1.0409000000e-03 -1.7876000000e-03 -1.7597000000e-03  3.4961000000e-03  1.0410000000e-04 -2.5377000000e-03 -2.4554000000e-03  1.6873000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1072000000e-02  5.4350000000e-03  9.5695300000e-01 -8.0836300000e-01  4.4158200000e-01 -2.6035700000e-01 -1.5916600000e-01 -2.4531700000e+00 -1.2824940000e+00 -9.5676200000e-01 -2.9274050000e+00 -1.0476040000e+00 -2.7467000000e-01 -1.5841580000e+00 -8.9816700000e-01
+ENERGY -1.526590379395e+02
+FORCES -3.8940000000e-04 -4.5460000000e-04  3.4503000000e-03 -9.7440000000e-04  7.1160000000e-04 -5.1318000000e-03  3.7092000000e-03 -5.8133000000e-03  9.0170000000e-04  9.5800000000e-05  1.0423100000e-02  7.0457000000e-03  2.1801000000e-03  2.9679000000e-03  1.9320000000e-04 -4.6213000000e-03 -7.8346000000e-03 -6.4591000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1057000000e-02 -6.5277000000e-02 -9.5490800000e-01  7.6690100000e-01 -4.9773600000e-01  2.8346800000e-01  2.0020790000e+00 -1.4819810000e+00  1.0659470000e+00  1.8608250000e+00 -1.5690290000e+00  2.0086570000e+00  2.7846180000e+00 -9.3600600000e-01  9.8994000000e-01
+ENERGY -1.526603820547e+02
+FORCES  1.0845000000e-02 -1.0184700000e-02  4.2425000000e-03  1.6711000000e-03 -3.5330000000e-04  3.0278000000e-03 -5.8897000000e-03  8.2666000000e-03 -4.7549000000e-03 -2.5994000000e-03  3.1405000000e-03  2.8576000000e-03  1.8549000000e-03  1.0096000000e-03 -5.1091000000e-03 -5.8818000000e-03 -1.8788000000e-03 -2.6380000000e-04
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2766200000e-01  5.3770900000e-01 -3.1242300000e-01  1.4300600000e-01 -7.2433000000e-02  9.4368100000e-01  1.6812600000e-01 -1.1507800000e-01  2.7788000000e+00  8.5339800000e-01  4.3507500000e-01  3.1582300000e+00  1.3169800000e-01 -8.8172900000e-01  3.3507700000e+00
+ENERGY -1.526604230958e+02
+FORCES  1.9585000000e-03  1.4570000000e-04  1.1936300000e-02 -1.7707000000e-03 -1.3062000000e-03  2.2842000000e-03  8.4110000000e-04  1.4399000000e-03 -1.0287300000e-02  1.0464000000e-03 -1.5970000000e-03  3.1710000000e-04 -3.0012000000e-03 -3.3469000000e-03 -2.5030000000e-03  9.2580000000e-04  4.6646000000e-03 -1.7473000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7734200000e-01  4.5648400000e-01 -3.2185900000e-01 -8.9033000000e-02 -8.9181900000e-01 -3.3610000000e-01 -2.0499370000e+00  1.2310460000e+00 -1.0319190000e+00 -2.8325830000e+00  8.4580700000e-01 -6.3785400000e-01 -2.0921470000e+00  2.1570880000e+00 -7.9339000000e-01
+ENERGY -1.526578483627e+02
+FORCES -1.6420400000e-02  9.1526000000e-03 -1.0757900000e-02  5.6677000000e-03 -4.8534000000e-03  6.1123000000e-03 -1.5896000000e-03  2.6089000000e-03  7.6970000000e-04  6.5383000000e-03 -2.5123000000e-03  5.6072000000e-03  6.0101000000e-03  1.6130000000e-03 -1.3299000000e-03 -2.0610000000e-04 -6.0089000000e-03 -4.0140000000e-04
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4608000000e-01 -4.7944000000e-02 -9.4477200000e-01 -8.8507200000e-01 -3.4289800000e-01  1.2369600000e-01  2.1959510000e+00 -1.2673510000e+00  1.3677470000e+00  1.3725360000e+00 -8.3142300000e-01  1.1482310000e+00  2.8674480000e+00 -7.4955800000e-01  9.2366000000e-01
+ENERGY -1.526606486198e+02
+FORCES -9.9740000000e-04 -2.7737000000e-03 -3.9289000000e-03 -1.3562000000e-03  6.6310000000e-04  4.4050000000e-03  4.7066000000e-03  1.3071000000e-03 -8.3160000000e-04 -6.8713000000e-03  7.4391000000e-03 -6.1548000000e-03  6.0323000000e-03 -4.7016000000e-03  5.7124000000e-03 -1.5140000000e-03 -1.9339000000e-03  7.9790000000e-04
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4546600000e-01 -8.9307200000e-01 -3.1224000000e-01  9.7083000000e-02 -5.9257000000e-02  9.5041900000e-01 -2.0906230000e+00  1.3024250000e+00 -9.2486200000e-01 -1.3375160000e+00  8.3156900000e-01 -5.6799300000e-01 -1.8277240000e+00  1.5360570000e+00 -1.8151040000e+00
+ENERGY -1.526594007511e+02
+FORCES -8.1080000000e-03  2.0160000000e-03 -1.7669000000e-03 -3.2810000000e-04  4.7102000000e-03  2.4352000000e-03 -6.1280000000e-04 -9.1280000000e-04 -5.4743000000e-03  1.6318500000e-02 -8.5008000000e-03  5.1621000000e-03 -7.3923000000e-03  4.4250000000e-03 -2.6089000000e-03  1.2260000000e-04 -1.7376000000e-03  2.2529000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0036000000e-02  9.5410000000e-03  9.5526800000e-01 -6.5976000000e-02 -9.2753500000e-01 -2.2706200000e-01 -1.0257400000e-01 -2.5040890000e+00 -1.1507390000e+00 -9.1630000000e-02 -2.6000660000e+00 -2.1030520000e+00 -6.4302800000e-01 -3.2314700000e+00 -8.4242400000e-01
+ENERGY -1.526607197881e+02
+FORCES  1.6020000000e-04 -1.1219800000e-02 -3.5460000000e-03 -6.2860000000e-04 -1.7788000000e-03 -3.0148000000e-03 -5.2700000000e-05  8.4155000000e-03  6.0127000000e-03 -1.3838000000e-03  2.5952000000e-03 -2.4491000000e-03 -7.4510000000e-04 -1.6520000000e-03  4.7021000000e-03  2.6499000000e-03  3.6399000000e-03 -1.7048000000e-03
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0721800000e-01 -4.1912400000e-01 -4.9031700000e-01  7.8284900000e-01 -4.9828300000e-01 -2.3471900000e-01  2.2319790000e+00 -1.1268560000e+00 -1.0651540000e+00  2.1490180000e+00 -2.0061360000e+00 -6.9608100000e-01  2.9488290000e+00 -7.2666300000e-01 -5.7301300000e-01
+ENERGY -1.526580243261e+02
+FORCES  1.1771300000e-02 -6.7013000000e-03 -9.7433000000e-03  2.5649000000e-03  1.8130000000e-04  1.5076000000e-03 -6.8472000000e-03  6.3020000000e-04  7.9881000000e-03  8.9190000000e-04  1.4200000000e-03  2.4021000000e-03 -2.8217000000e-03  7.1068000000e-03 -4.4240000000e-04 -5.5592000000e-03 -2.6370000000e-03 -1.7120000000e-03
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5648100000e-01  2.0781300000e-01  5.4843600000e-01  7.2664300000e-01  4.7473200000e-01  4.0354800000e-01  2.2348520000e+00  1.2688450000e+00  1.1658730000e+00  2.9840030000e+00  9.1004400000e-01  6.9020000000e-01  2.1758520000e+00  2.1774300000e+00  8.7053400000e-01
+ENERGY -1.526613655289e+02
+FORCES  8.1840000000e-03  5.4537000000e-03  8.0547000000e-03  2.6485000000e-03  2.8350000000e-04 -1.4502000000e-03 -8.4679000000e-03 -3.5199000000e-03 -6.6353000000e-03  3.2099000000e-03  1.0169000000e-03 -2.8119000000e-03 -4.7315000000e-03  2.4727000000e-03  1.9819000000e-03 -8.4300000000e-04 -5.7069000000e-03  8.6090000000e-04
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9468000000e-02  8.8724800000e-01 -3.5029600000e-01 -7.9960700000e-01 -4.4276600000e-01 -2.8428700000e-01 -2.2585510000e+00 -1.3081390000e+00 -1.0871810000e+00 -2.1379920000e+00 -1.3783690000e+00 -2.0341580000e+00 -3.0852000000e+00 -8.3654000000e-01 -9.8481800000e-01
+ENERGY -1.526608511910e+02
+FORCES -1.0486400000e-02 -3.8949000000e-03 -5.2111000000e-03 -4.2570000000e-04 -2.7656000000e-03  5.5510000000e-04  8.3422000000e-03  5.7354000000e-03  3.8910000000e-03 -1.1683000000e-03  1.1199000000e-03 -3.0937000000e-03 -1.2705000000e-03  1.3854000000e-03  5.0379000000e-03  5.0087000000e-03 -1.5802000000e-03 -1.1792000000e-03
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8042300000e-01 -1.8764000000e-02  9.3985500000e-01  3.0739200000e-01 -8.4800600000e-01 -3.2035700000e-01 -2.5168570000e+00  1.0626380000e+00 -1.0165380000e+00 -2.4782040000e+00  2.0056350000e+00 -8.5686800000e-01 -1.6699010000e+00  7.3338500000e-01 -7.1572400000e-01
+ENERGY -1.526619334538e+02
+FORCES  9.2200000000e-04 -3.5012000000e-03  2.3900000000e-03 -1.2570000000e-04 -3.9630000000e-04 -4.6373000000e-03 -1.1459000000e-03  3.9837000000e-03  2.4989000000e-03  9.2743000000e-03 -8.8050000000e-04  3.6478000000e-03  5.9100000000e-05 -2.8671000000e-03  7.7100000000e-05 -8.9838000000e-03  3.6615000000e-03 -3.9766000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7616100000e-01 -2.8814200000e-01 -2.5602200000e-01  9.5783000000e-02  8.6331700000e-01 -4.0217000000e-01 -2.1658010000e+00 -1.1345410000e+00 -8.3751700000e-01 -2.9251350000e+00 -6.3840300000e-01 -5.3175300000e-01 -2.2706370000e+00 -2.0006740000e+00 -4.4374900000e-01
+ENERGY -1.526571267597e+02
+FORCES -1.7202000000e-02 -9.1953000000e-03 -8.8100000000e-03  5.4064000000e-03  6.7071000000e-03  5.0984000000e-03 -2.8545000000e-03 -2.7008000000e-03  5.4620000000e-04  8.5406000000e-03  1.1805000000e-03  5.4973000000e-03  6.7265000000e-03 -1.5577000000e-03 -5.0750000000e-04 -6.1700000000e-04  5.5662000000e-03 -1.8244000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6666400000e-01  4.6376400000e-01 -5.0666900000e-01  8.3190500000e-01  3.0386900000e-01 -3.6308200000e-01 -2.2226600000e+00  1.3777930000e+00 -8.0939400000e-01 -3.0603540000e+00  9.4304700000e-01 -6.4971400000e-01 -2.3081180000e+00  2.2287460000e+00 -3.7950000000e-01
+ENERGY -1.526608162993e+02
+FORCES -9.2514000000e-03  6.6074000000e-03 -5.2351000000e-03  9.0988000000e-03 -4.9770000000e-03  1.9227000000e-03 -3.6347000000e-03  5.8760000000e-04  6.5480000000e-04  8.0880000000e-04 -1.5097000000e-03  5.5642000000e-03  3.5330000000e-03  3.2855000000e-03 -4.8980000000e-04 -5.5450000000e-04 -3.9939000000e-03 -2.4168000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5037200000e-01  9.4151800000e-01 -8.4638000000e-02 -8.1083500000e-01 -4.0155900000e-01 -3.1229600000e-01  2.3382510000e+00 -1.3811950000e+00 -6.3142600000e-01  1.5618370000e+00 -8.8996400000e-01 -3.6290300000e-01  2.2525400000e+00 -2.2259040000e+00 -1.8943900000e-01
+ENERGY -1.526612863113e+02
+FORCES  2.1540000000e-04  5.9360000000e-04 -3.0620000000e-03 -7.9740000000e-04 -4.8592000000e-03  1.5010000000e-04  3.6848000000e-03  2.5850000000e-03  1.8568000000e-03 -1.0382000000e-02  4.8792000000e-03  4.5665000000e-03  8.1123000000e-03 -5.6541000000e-03 -2.0909000000e-03 -8.3300000000e-04  2.4554000000e-03 -1.4204000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9774500000e-01  3.5665800000e-01 -3.9068000000e-01  4.6835000000e-02  2.5919500000e-01  9.2024800000e-01 -7.7037000000e-02 -2.4091580000e+00 -1.2062720000e+00 -3.7604000000e-02 -1.5140000000e+00 -8.6956800000e-01  5.7312600000e-01 -2.8878270000e+00 -6.9207800000e-01
+ENERGY -1.526581423061e+02
+FORCES  4.5280000000e-04 -4.8976000000e-03  1.3946000000e-03 -4.3126000000e-03 -4.8453000000e-03  2.0835000000e-03  1.3053000000e-03  8.0700000000e-05 -4.9797000000e-03  5.3240000000e-04  1.2404200000e-02  1.0197100000e-02  3.4071000000e-03 -4.4967000000e-03 -7.4963000000e-03 -1.3851000000e-03  1.7548000000e-03 -1.1993000000e-03
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6297100000e-01 -3.8290100000e-01  4.3300600000e-01  8.9886000000e-02  9.4201100000e-01  1.4411200000e-01 -2.3574600000e+00 -8.1769200000e-01  1.1877080000e+00 -2.2948380000e+00 -1.7009970000e+00  8.2427600000e-01 -1.5407570000e+00 -3.9225400000e-01  9.2649700000e-01
+ENERGY -1.526596097908e+02
+FORCES  1.1280000000e-03  4.0990000000e-04  1.8236000000e-03 -4.8450000000e-03  2.1056000000e-03 -1.8917000000e-03 -1.6723000000e-03 -6.0851000000e-03  9.6080000000e-04  1.3006200000e-02  1.4247000000e-03 -9.0476000000e-03 -3.7920000000e-04  1.6806000000e-03  1.7472000000e-03 -7.2378000000e-03  4.6420000000e-04  6.4077000000e-03
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6475600000e-01 -1.3398300000e-01  9.3334700000e-01  4.4985000000e-02 -8.7738300000e-01 -3.8001100000e-01  4.8154800000e-01 -2.6450350000e+00 -7.3760200000e-01  5.2249900000e-01 -2.7195150000e+00 -1.6910210000e+00 -3.5770500000e-01 -3.0403780000e+00 -5.0182700000e-01
+ENERGY -1.526596594857e+02
+FORCES  5.0407000000e-03 -1.4072400000e-02 -8.8140000000e-04 -1.2613000000e-03  4.2570000000e-04 -2.2979000000e-03 -5.4339000000e-03  8.5820000000e-03  6.4750000000e-04 -1.2934000000e-03 -1.2565000000e-03 -2.0124000000e-03 -1.4047000000e-03  1.5379000000e-03  5.6552000000e-03  4.3525000000e-03  4.7834000000e-03 -1.1110000000e-03
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0204200000e-01 -3.0947100000e-01 -4.2093800000e-01 -6.9966500000e-01 -5.0122200000e-01 -4.1890000000e-01  2.0382720000e+00 -1.4786500000e+00 -9.8060500000e-01  2.8419780000e+00 -1.0829770000e+00 -6.4336200000e-01  2.0638930000e+00 -2.3814650000e+00 -6.6358700000e-01
+ENERGY -1.526585661921e+02
+FORCES  1.0129400000e-02 -1.1193100000e-02 -8.4372000000e-03 -2.6929000000e-03  7.8964000000e-03  3.5284000000e-03  1.3727000000e-03  9.1420000000e-04  1.6688000000e-03 -3.9935000000e-03 -6.5710000000e-04  6.2234000000e-03 -6.0212000000e-03 -1.1888000000e-03 -8.2770000000e-04  1.2054000000e-03  4.2283000000e-03 -2.1557000000e-03
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7615000000e-02 -2.7137900000e-01  9.1668900000e-01 -8.2725600000e-01  4.7693500000e-01 -6.6431000000e-02  2.6836300000e-01 -2.6081570000e+00 -1.0678710000e+00  1.7460100000e-01 -1.6643750000e+00 -9.3858300000e-01 -5.5831200000e-01 -2.9764010000e+00 -7.5604100000e-01
+ENERGY -1.526603832772e+02
+FORCES -1.7032000000e-03 -5.5990000000e-04  3.8398000000e-03 -1.5625000000e-03  1.3416000000e-03 -5.1225000000e-03  3.7767000000e-03 -3.5121000000e-03  8.2670000000e-04 -3.7416000000e-03  1.0961500000e-02  3.8726000000e-03  8.5300000000e-04 -9.5756000000e-03 -3.1442000000e-03  2.3776000000e-03  1.3446000000e-03 -2.7240000000e-04
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3877200000e-01 -2.4761500000e-01  3.8907500000e-01  9.4376000000e-02 -2.1182900000e-01 -9.2868400000e-01  2.2957060000e+00 -8.0660700000e-01  1.3287330000e+00  2.2923110000e+00 -7.7545200000e-01  2.2854200000e+00  3.1195230000e+00 -3.8868800000e-01  1.0779310000e+00
+ENERGY -1.526611927938e+02
+FORCES  1.0878300000e-02 -5.1441000000e-03  4.5010000000e-03 -7.9684000000e-03  3.8645000000e-03 -6.0182000000e-03  1.0785000000e-03  6.4800000000e-04  2.8891000000e-03 -9.8520000000e-04  2.4597000000e-03  2.2176000000e-03  1.5267000000e-03  1.5760000000e-04 -4.9276000000e-03 -4.5299000000e-03 -1.9857000000e-03  1.3381000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9951700000e-01 -2.9488100000e-01  4.3594600000e-01  8.4164000000e-02  9.2017800000e-01  2.4984200000e-01 -1.3556100000e-01  1.5148600000e-01 -2.5778640000e+00  2.6354000000e-02  1.9329100000e-01 -1.6353850000e+00  6.0926700000e-01 -3.3734400000e-01 -2.9278760000e+00
+ENERGY -1.526573004441e+02
+FORCES -5.3894000000e-03 -6.1990000000e-04 -1.0385900000e-02  4.7009000000e-03  2.8502000000e-03 -7.9210000000e-04 -1.2235000000e-03 -5.4665000000e-03 -4.8085000000e-03  2.1320000000e-03 -3.8080000000e-03  2.1058100000e-02  1.4082000000e-03  5.8937000000e-03 -7.5885000000e-03 -1.6283000000e-03  1.1506000000e-03  2.5169000000e-03
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6951500000e-01  7.5535000000e-02  9.1536200000e-01  2.6280000000e-03  9.0051600000e-01 -3.2449300000e-01 -2.3616150000e+00 -1.5925460000e+00 -1.1110570000e+00 -1.4851200000e+00 -1.2194370000e+00 -1.0173660000e+00 -2.2699400000e+00 -2.4980400000e+00 -8.1456400000e-01
+ENERGY -1.526609837388e+02
+FORCES -1.2059000000e-03  5.2554000000e-03  4.0731000000e-03  1.8509000000e-03 -1.4570000000e-04 -4.2498000000e-03 -1.9910000000e-04 -4.3243000000e-03  1.7013000000e-03  7.6097000000e-03  8.1480000000e-04  2.6273000000e-03 -7.7998000000e-03 -4.7716000000e-03 -3.7253000000e-03 -2.5580000000e-04  3.1713000000e-03 -4.2660000000e-04
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7398200000e-01 -2.3364300000e-01 -3.1272800000e-01  1.3127700000e-01  8.9828700000e-01 -3.0344600000e-01 -2.2360790000e+00 -1.1469350000e+00 -1.0106770000e+00 -2.6384520000e+00 -1.9892890000e+00 -7.9909400000e-01 -2.5119400000e+00 -9.6826800000e-01 -1.9096820000e+00
+ENERGY -1.526596618070e+02
+FORCES -1.1147300000e-02 -4.5077000000e-03 -4.8638000000e-03  6.8212000000e-03  5.8751000000e-03  2.5862000000e-03 -1.8250000000e-03 -3.1211000000e-03 -4.2420000000e-04  4.6475000000e-03 -9.6540000000e-04  1.1744000000e-03  6.7190000000e-04  3.8906000000e-03 -2.9633000000e-03  8.3170000000e-04 -1.1715000000e-03  4.4907000000e-03
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5848000000e-02 -2.6018500000e-01 -9.1946500000e-01  8.7510700000e-01  3.2549800000e-01  2.1088200000e-01  2.3375010000e+00  9.1048300000e-01  8.5383700000e-01  2.4210650000e+00  8.3339600000e-01  1.8042610000e+00  3.2055810000e+00  6.8754300000e-01  5.1773200000e-01
+ENERGY -1.526594851110e+02
+FORCES  1.5565100000e-02  5.8573000000e-03  3.5187000000e-03  1.7512000000e-03  1.0329000000e-03  2.6052000000e-03 -8.4607000000e-03 -3.2561000000e-03 -2.6777000000e-03 -5.6858000000e-03 -4.8763000000e-03 -5.1080000000e-04  1.0289000000e-03  2.6250000000e-04 -5.3964000000e-03 -4.1986000000e-03  9.7960000000e-04  2.4609000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1671200000e-01 -2.9574200000e-01 -4.0218200000e-01  6.8512100000e-01 -3.0958700000e-01 -5.9245000000e-01  2.1516610000e+00 -9.9979400000e-01 -1.3737460000e+00  2.3977250000e+00 -1.0085000000e+00 -2.2987370000e+00  2.0696330000e+00 -1.9240090000e+00 -1.1385250000e+00
+ENERGY -1.526602524808e+02
+FORCES  9.0460000000e-03 -3.7619000000e-03 -8.6712000000e-03  3.3695000000e-03 -4.4900000000e-05  3.8530000000e-04 -8.7243000000e-03  6.9930000000e-04  6.1320000000e-03 -1.2231000000e-03 -1.1415000000e-03 -4.3600000000e-04 -1.3658000000e-03 -1.3049000000e-03  4.8142000000e-03 -1.1023000000e-03  5.5539000000e-03 -2.2243000000e-03
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2323000000e-02  7.8160000000e-03  9.5573700000e-01 -7.6152800000e-01  5.4319000000e-01 -2.0310600000e-01 -2.0105170000e+00  1.2472710000e+00 -9.4041300000e-01 -2.6787010000e+00  8.0758300000e-01 -4.1464000000e-01 -1.9890170000e+00  2.1422320000e+00 -6.0157100000e-01
+ENERGY -1.526538241936e+02
+FORCES -1.7852500000e-02  1.2176800000e-02 -9.8160000000e-03 -3.6601000000e-03  2.0485000000e-03 -3.5391000000e-03  4.4705000000e-03 -4.1842000000e-03  8.7960000000e-03  7.3942000000e-03 -5.1286000000e-03  4.6787000000e-03  7.9293000000e-03  2.4204000000e-03 -5.3310000000e-04  1.7185000000e-03 -7.3329000000e-03  4.1350000000e-04
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4046700000e-01 -6.1666500000e-01 -3.5462400000e-01  6.0572000000e-02 -1.1025700000e-01  9.4889700000e-01 -1.2783300000e-01  2.6633500000e+00 -9.2817000000e-01 -1.8980400000e-01  1.7851480000e+00 -5.5246700000e-01  6.8202000000e-01  3.0227410000e+00 -5.6594200000e-01
+ENERGY -1.526607721385e+02
+FORCES  2.8818000000e-03 -9.8760000000e-04 -4.5970000000e-04 -2.8803000000e-03  2.3687000000e-03  3.3192000000e-03  6.7760000000e-04  1.0591000000e-03 -5.0902000000e-03  2.7868000000e-03 -1.0966200000e-02  4.6570000000e-03 -1.3162000000e-03  9.7748000000e-03 -1.6686000000e-03 -2.1498000000e-03 -1.2488000000e-03 -7.5770000000e-04
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0590000000e-02  3.5104100000e-01 -8.9044300000e-01 -1.2629500000e-01  7.6513100000e-01  5.6112000000e-01 -2.2506210000e+00 -1.4571730000e+00  1.2422120000e+00 -2.2159210000e+00 -2.2758860000e+00  7.4750300000e-01 -1.5524280000e+00 -9.2040000000e-01  8.6720100000e-01
+ENERGY -1.526606079157e+02
+FORCES  8.9920000000e-04  4.7411000000e-03 -2.8990000000e-03  4.4370000000e-04 -1.2845000000e-03  4.6084000000e-03 -1.5832000000e-03 -5.5835000000e-03 -2.9009000000e-03  8.4548000000e-03  9.8790000000e-04 -6.6870000000e-03 -7.9800000000e-04  2.2020000000e-03  1.4232000000e-03 -7.4166000000e-03 -1.0629000000e-03  6.4552000000e-03
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3298700000e-01 -3.9927200000e-01  4.6855500000e-01  7.7968000000e-01 -3.6703600000e-01  4.1667100000e-01  2.4102090000e+00 -5.5911500000e-01  1.1905160000e+00  2.5393850000e+00 -4.9060300000e-01  2.1364810000e+00  3.1373000000e+00 -6.4421000000e-02  8.1256200000e-01
+ENERGY -1.526606982355e+02
+FORCES  1.0328000000e-02 -4.0886000000e-03  6.7223000000e-03  3.1793000000e-03  9.2170000000e-04 -1.4820000000e-04 -9.0336000000e-03  1.1858000000e-03 -4.6825000000e-03 -1.7032000000e-03  4.7492000000e-03 -4.7870000000e-04  1.3630000000e-04 -1.7580000000e-04 -4.6076000000e-03 -2.9067000000e-03 -2.5923000000e-03  3.1947000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1725600000e-01 -5.3030300000e-01 -3.4720900000e-01  7.6817700000e-01 -2.7989100000e-01 -4.9779100000e-01  2.2447020000e+00 -6.2914900000e-01 -1.0736320000e+00  2.4228470000e+00 -7.6857700000e-01 -2.0037160000e+00  3.0557940000e+00 -2.5736000000e-01 -7.2702900000e-01
+ENERGY -1.526574963453e+02
+FORCES  1.7509400000e-02 -5.8835000000e-03 -8.5887000000e-03  3.7128000000e-03  7.0630000000e-04 -9.6000000000e-04 -7.3840000000e-03  1.0213000000e-03  2.2685000000e-03 -1.0487500000e-02  5.8196000000e-03  6.1315000000e-03 -3.0170000000e-04  8.6390000000e-04  5.1172000000e-03 -3.0489000000e-03 -2.5276000000e-03 -3.9685000000e-03
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2573600000e-01  3.0182200000e-01 -3.7854400000e-01  2.1242300000e-01 -7.9440500000e-01 -4.8992700000e-01  2.1036630000e+00  1.3940920000e+00 -7.2454300000e-01  2.1788600000e+00  2.2858730000e+00 -3.8497700000e-01  1.2672070000e+00  1.0772440000e+00 -3.8369000000e-01
+ENERGY -1.526594419977e+02
+FORCES  6.0262000000e-03  9.7010000000e-04 -5.8240000000e-03  5.4695000000e-03 -8.0860000000e-04  1.4021000000e-03 -2.1831000000e-03  5.0465000000e-03  2.3320000000e-03 -1.4273000000e-02 -8.3777000000e-03  6.7697000000e-03 -2.8739000000e-03 -3.0453000000e-03 -2.2920000000e-04  7.8343000000e-03  6.2150000000e-03 -4.4506000000e-03
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6629800000e-01  4.4751400000e-01 -3.5881800000e-01 -2.7760000000e-03 -8.5811500000e-01 -4.2410200000e-01 -4.1982400000e-01 -2.2532190000e+00 -1.3524030000e+00 -6.6100000000e-01 -2.2191610000e+00 -2.2780950000e+00 -1.1761670000e+00 -2.6517220000e+00 -9.2185500000e-01
+ENERGY -1.526583615907e+02
+FORCES -4.1463000000e-03 -1.4261500000e-02 -1.1494200000e-02  1.4411000000e-03 -1.1965000000e-03  7.9790000000e-04  8.1740000000e-04  5.5133000000e-03  6.5415000000e-03 -1.3953000000e-03  7.0210000000e-03  1.7982000000e-03 -4.0390000000e-04 -5.9720000000e-04  5.2422000000e-03  3.6869000000e-03  3.5209000000e-03 -2.8856000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5190200000e-01  1.1021500000e-01 -9.1685900000e-01 -7.7443000000e-01 -3.7644600000e-01  4.1806500000e-01  7.9972000000e-02  2.6954670000e+00  8.5946500000e-01  1.1626200000e-01  1.8340780000e+00  4.4362400000e-01  9.2362800000e-01  3.0975600000e+00  6.5259100000e-01
+ENERGY -1.526608664679e+02
+FORCES -4.6239000000e-03 -2.1052000000e-03  4.2410000000e-04  1.5445000000e-03  1.9421000000e-03  5.8966000000e-03  3.9161000000e-03  2.0465000000e-03 -3.1691000000e-03  2.8715000000e-03 -1.1086800000e-02 -2.9697000000e-03 -1.1527000000e-03  1.1312700000e-02  6.7300000000e-05 -2.5555000000e-03 -2.1093000000e-03 -2.4920000000e-04
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1111300000e-01  1.7543100000e-01 -8.8806800000e-01  2.3141500000e-01 -9.1510000000e-01  1.5896800000e-01  2.2757600000e-01 -2.7113340000e+00  7.9142100000e-01  3.2003200000e-01 -2.8723520000e+00  1.7304400000e+00  9.8441400000e-01 -3.1455090000e+00  3.9782000000e-01
+ENERGY -1.526604498535e+02
+FORCES  6.5680000000e-04 -1.0644000000e-02  1.2411000000e-03 -3.3270000000e-04 -2.1096000000e-03  2.8716000000e-03  1.6384000000e-03  1.0219800000e-02 -4.4675000000e-03  1.4172000000e-03 -1.2990000000e-03  3.9048000000e-03  2.5630000000e-04 -1.7300000000e-04 -5.1498000000e-03 -3.6360000000e-03  4.0058000000e-03  1.5997000000e-03
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1966900000e-01  3.3533100000e-01 -3.6321900000e-01  6.8246600000e-01  5.0790000000e-01 -4.3875900000e-01  2.5765600000e-01 -2.4514850000e+00 -1.0931230000e+00  1.3166600000e-01 -1.9818610000e+00 -1.9176300000e+00  3.4720300000e-01 -1.7618460000e+00 -4.3539100000e-01
+ENERGY -1.526570937862e+02
+FORCES -2.0028000000e-03 -3.5070000000e-03 -5.8744000000e-03  5.0554000000e-03 -9.5720000000e-04  6.9800000000e-04 -3.9665000000e-03 -4.2023000000e-03  8.2690000000e-04 -2.3711000000e-03  1.6940400000e-02  5.4149000000e-03  1.7250000000e-04 -1.1939000000e-03  9.6350000000e-04  3.1124000000e-03 -7.0800000000e-03 -2.0289000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1357200000e-01  8.6832000000e-02  9.0020200000e-01 -1.4479400000e-01 -9.3927500000e-01 -1.1414500000e-01 -2.0208310000e+00  3.8703670000e+00  2.3037700000e-01 -2.8534850000e+00  4.2508540000e+00 -4.9173000000e-02 -1.3563380000e+00  4.4645160000e+00 -1.1843400000e-01
+ENERGY -1.526534144754e+02
+FORCES  3.8000000000e-05 -2.8634000000e-03  3.6615000000e-03 -7.5570000000e-04 -7.5620000000e-04 -3.7625000000e-03  6.0710000000e-04  3.7766000000e-03  3.2950000000e-04 -4.0080000000e-04  3.3887000000e-03 -3.2228000000e-03  3.3066000000e-03 -1.4783000000e-03  1.2678000000e-03 -2.7951000000e-03 -2.0673000000e-03  1.7265000000e-03
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0059300000e-01 -6.9927000000e-02  9.4932800000e-01  7.8175200000e-01  4.6998100000e-01 -2.9019600000e-01  2.5219400000e-01  1.0020400000e-01  2.5805880000e+00  4.2423300000e-01 -7.0203600000e-01  3.0735860000e+00 -5.5949900000e-01  4.4256100000e-01  2.9549910000e+00
+ENERGY -1.526587998626e+02
+FORCES  4.3607000000e-03  1.7764000000e-03  2.1056300000e-02 -2.1253000000e-03 -1.1321000000e-03 -8.4365000000e-03 -1.6493000000e-03 -1.2041000000e-03  1.5757000000e-03 -3.3362000000e-03 -7.8840000000e-04 -9.2876000000e-03 -1.9272000000e-03  4.5442000000e-03 -3.0893000000e-03  4.6774000000e-03 -3.1960000000e-03 -1.8185000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7054000000e-02  5.3556000000e-02  9.5498200000e-01 -9.8290000000e-03 -9.3860000000e-01 -1.8752600000e-01 -1.9840090000e+00  1.6940130000e+00 -1.0607810000e+00 -2.7792940000e+00  1.2077400000e+00 -8.4331400000e-01 -1.2692050000e+00  1.1014710000e+00 -8.2801400000e-01
+ENERGY -1.526609155367e+02
+FORCES -1.2605000000e-03 -9.1450000000e-04  2.7320000000e-03 -2.9090000000e-04 -1.6665000000e-03 -4.8802000000e-03 -7.2430000000e-04  4.7497000000e-03  1.7565000000e-03  7.0427000000e-03 -9.0930000000e-03  4.9469000000e-03  2.3848000000e-03  1.0246000000e-03 -3.5030000000e-04 -7.1518000000e-03  5.8997000000e-03 -4.2049000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2628000000e-01 -5.5341600000e-01  2.8719300000e-01  8.5596000000e-02  7.9806600000e-01  5.2153200000e-01  4.7631600000e-01  2.4216800000e+00  1.3874660000e+00 -2.0719900000e-01  2.8886030000e+00  9.0681900000e-01  1.2950460000e+00  2.7220110000e+00  9.9285800000e-01
+ENERGY -1.526604460912e+02
+FORCES  4.3008000000e-03  8.5279000000e-03  9.2056000000e-03 -1.5700000000e-03  2.0359000000e-03 -1.1239000000e-03 -3.5987000000e-03 -6.4794000000e-03 -7.7720000000e-03  1.3890000000e-03  3.4305000000e-03 -3.6891000000e-03  4.0602000000e-03 -5.1881000000e-03  1.6006000000e-03 -4.5812000000e-03 -2.3268000000e-03  1.7788000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3620300000e-01 -4.1212000000e-02  9.4656300000e-01 -4.0756000000e-01  8.2442200000e-01 -2.6543500000e-01  2.3134530000e+00 -1.3479890000e+00 -1.2735730000e+00  1.6024830000e+00 -9.4103500000e-01 -7.7845500000e-01  2.1483480000e+00 -2.2881140000e+00 -1.2018980000e+00
+ENERGY -1.526615859398e+02
+FORCES -2.1185000000e-03  4.1492000000e-03  1.2704000000e-03  4.4860000000e-04  3.2070000000e-04 -4.6573000000e-03  1.0234000000e-03 -3.6898000000e-03  2.6780000000e-03 -7.9576000000e-03  1.5599000000e-03  3.6436000000e-03  8.2012000000e-03 -5.2609000000e-03 -3.2084000000e-03  4.0290000000e-04  2.9209000000e-03  2.7370000000e-04
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6148000000e-01  4.7169000000e-01 -3.3747400000e-01  1.3213000000e-02 -8.1946800000e-01 -4.9449900000e-01  1.0940500000e-01 -1.9886000000e-02  2.7252860000e+00  9.7724000000e-02 -9.8241000000e-02  1.7713700000e+00  2.3073700000e-01 -9.1630500000e-01  3.0382450000e+00
+ENERGY -1.526603977412e+02
+FORCES -2.9346000000e-03 -3.1940000000e-04  2.1936000000e-03  4.0479000000e-03 -3.4540000000e-03  9.8590000000e-04 -8.0430000000e-04  4.1212000000e-03  2.9605000000e-03  1.7000000000e-04 -1.6644000000e-03 -1.4273200000e-02 -1.2000000000e-04 -7.5210000000e-04  1.0602800000e-02 -3.5900000000e-04  2.0686000000e-03 -2.4697000000e-03
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6068000000e-02 -1.2259500000e-01 -9.4863100000e-01 -8.3178500000e-01 -3.5012400000e-01  3.1902800000e-01  6.4107000000e-02  1.0458000000e-02 -2.7889940000e+00  9.7374000000e-01 -1.0578200000e-01 -3.0633780000e+00 -1.7477500000e-01  8.7933800000e-01 -3.1118180000e+00
+ENERGY -1.526618750953e+02
+FORCES -1.9519000000e-03 -1.5437000000e-03 -1.2280700000e-02  4.8560000000e-04 -3.1280000000e-04  1.1159500000e-02  2.1012000000e-03  1.2592000000e-03 -2.0631000000e-03  2.5211000000e-03  3.9192000000e-03  4.0550000000e-04 -4.8864000000e-03  1.2836000000e-03  1.6616000000e-03  1.7304000000e-03 -4.6056000000e-03  1.1172000000e-03
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.8134000000e-02  8.4149000000e-01  4.4552900000e-01  8.4941600000e-01 -4.2829600000e-01  1.0624300000e-01  2.1621340000e+00 -1.3029450000e+00  1.2223600000e+00  3.0287340000e+00 -9.1057700000e-01  1.1161380000e+00  2.2977490000e+00 -2.2346440000e+00  1.0497980000e+00
+ENERGY -1.526592308109e+02
+FORCES  1.0001300000e-02 -3.7696000000e-03  7.9161000000e-03 -6.5800000000e-05 -1.9599000000e-03 -1.7063000000e-03 -5.4947000000e-03  4.2956000000e-03 -6.4362000000e-03  1.1781000000e-03 -2.5184000000e-03  2.7890000000e-04 -5.4799000000e-03 -1.4070000000e-03 -3.8900000000e-04 -1.3910000000e-04  5.3594000000e-03  3.3650000000e-04
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3818100000e-01  6.2118800000e-01  4.9063100000e-01 -8.7727600000e-01  9.7861000000e-02  3.7019200000e-01  4.2684000000e-02  1.1651000000e-02 -2.4973380000e+00 -4.7110000000e-03 -2.4254000000e-02 -1.5419870000e+00 -7.8187800000e-01  4.1851600000e-01 -2.7634050000e+00
+ENERGY -1.526538667045e+02
+FORCES  7.7750000000e-04  3.0955000000e-03 -2.0271000000e-02 -4.6855000000e-03 -3.3224000000e-03 -1.4662000000e-03  5.1200000000e-03  1.0185000000e-03 -3.0915000000e-03 -6.7380000000e-04  6.1950000000e-04  2.7897000000e-02 -1.8696000000e-03 -3.3580000000e-04 -6.4695000000e-03  1.3315000000e-03 -1.0752000000e-03  3.4012000000e-03
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0021600000e-01  3.0817000000e-02  9.5144000000e-01  7.2025200000e-01  6.0266800000e-01 -1.8509500000e-01 -2.0984290000e+00  1.2862460000e+00 -9.5691600000e-01 -2.7653950000e+00  6.4238000000e-01 -7.1853300000e-01 -1.2903910000e+00  9.4926800000e-01 -5.6993700000e-01
+ENERGY -1.526572379866e+02
+FORCES -3.7300000000e-03  4.1303000000e-03 -7.2140000000e-04 -1.0496000000e-03  1.1580000000e-03 -6.3859000000e-03 -6.9920000000e-03 -1.8870000000e-03  1.1421000000e-03  1.4639900000e-02 -1.3546200000e-02  6.9115000000e-03  1.7129000000e-03  1.7104000000e-03  3.4830000000e-04 -4.5814000000e-03  8.4345000000e-03 -1.2946000000e-03
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6682000000e-02 -1.5171200000e-01  9.4339900000e-01 -1.2294500000e-01  9.4554300000e-01 -8.4054000000e-02  2.2152080000e+00 -1.1458520000e+00 -1.0462230000e+00  2.1849040000e+00 -2.0236210000e+00 -6.6565300000e-01  1.4064170000e+00 -7.2798900000e-01 -7.5045200000e-01
+ENERGY -1.526599669757e+02
+FORCES  5.3458000000e-03  8.0880000000e-04  6.3930000000e-04  1.0470000000e-04  7.0940000000e-04 -5.3101000000e-03  7.2990000000e-04 -5.0595000000e-03  1.4870000000e-03 -1.4279200000e-02  4.9665000000e-03  5.8205000000e-03 -6.2970000000e-04  2.9521000000e-03  1.8820000000e-04  8.7284000000e-03 -4.3773000000e-03 -2.8249000000e-03
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1109400000e-01 -4.4450700000e-01 -2.4651800000e-01  6.9195400000e-01 -5.1721400000e-01 -4.1221600000e-01 -2.5251300000e-01  2.9430700000e-01  2.8184720000e+00 -1.4028700000e-01  3.0039000000e-02  1.9053460000e+00 -1.5224800000e-01  1.2461710000e+00  2.8068870000e+00
+ENERGY -1.526613676043e+02
+FORCES -4.5100000000e-05 -2.4978000000e-03 -2.4052000000e-03  4.9731000000e-03  1.8246000000e-03  2.5870000000e-03 -4.1915000000e-03  2.2627000000e-03  2.0388000000e-03  2.5105000000e-03  2.2472000000e-03 -1.2433500000e-02 -2.8255000000e-03 -1.3389000000e-03  9.4346000000e-03 -4.2160000000e-04 -2.4978000000e-03  7.7840000000e-04
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9911000000e-01 -5.0988700000e-01 -1.3293300000e-01  7.0582300000e-01 -5.8251300000e-01 -2.8057900000e-01 -2.1307970000e+00 -1.3541020000e+00 -3.9674600000e-01 -2.3887400000e+00 -1.4905900000e+00 -1.3083760000e+00 -2.9113130000e+00 -9.9088400000e-01  2.1701000000e-02
+ENERGY -1.526572219138e+02
+FORCES -1.8845500000e-02 -1.4213400000e-02 -3.5042000000e-03  6.2013000000e-03  4.8804000000e-03  1.6366000000e-03 -3.0924000000e-03  5.1240000000e-04 -4.2760000000e-04  1.0711200000e-02  9.7365000000e-03  5.6160000000e-04  7.0500000000e-04  8.1260000000e-04  5.3903000000e-03  4.3204000000e-03 -1.7285000000e-03 -3.6567000000e-03
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3828900000e-01 -8.9445300000e-01  2.4372800000e-01 -7.8254400000e-01  1.8940600000e-01  5.1767000000e-01  1.4075900000e-01 -2.4734500000e+00  1.3944690000e+00  9.7697700000e-01 -2.8441540000e+00  1.1124250000e+00  1.7822300000e-01 -2.4967590000e+00  2.3506510000e+00
+ENERGY -1.526587675113e+02
+FORCES -3.3890000000e-03 -1.0604300000e-02  8.3905000000e-03  3.8665000000e-03  4.3653000000e-03 -6.3512000000e-03  1.8717000000e-03  1.3675000000e-03 -1.5439000000e-03  2.2008000000e-03  1.1821000000e-03  3.7417000000e-03 -4.4518000000e-03  4.4625000000e-03  4.1510000000e-04 -9.8300000000e-05 -7.7300000000e-04 -4.6521000000e-03
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5128900000e-01 -5.2341400000e-01  2.7898700000e-01  6.8959000000e-02  8.0849800000e-01  5.0774800000e-01  1.9027500000e-01  2.5301820000e+00  7.4021400000e-01 -5.4189600000e-01  2.9168590000e+00  2.5996400000e-01  9.4380700000e-01  3.0719850000e+00  5.0596900000e-01
+ENERGY -1.526588834153e+02
+FORCES  3.3576000000e-03  1.5275400000e-02  6.0698000000e-03 -1.2762000000e-03  3.1568000000e-03 -4.0230000000e-04 -3.0644000000e-03 -8.7038000000e-03 -1.7615000000e-03  7.9140000000e-04 -6.6101000000e-03 -7.4275000000e-03  4.4295000000e-03 -1.6993000000e-03  2.5601000000e-03 -4.2378000000e-03 -1.4191000000e-03  9.6140000000e-04
+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3685000000e-02  2.6273500000e-01 -9.1886900000e-01 -8.9629300000e-01 -2.4188500000e-01  2.3320200000e-01  2.4061600000e+00 -1.4843020000e+00  7.3391300000e-01  1.6711970000e+00 -9.0113800000e-01  5.4422500000e-01  3.1815410000e+00 -9.8329100000e-01  4.8092400000e-01
+ENERGY -1.526614923193e+02
+FORCES -3.7865000000e-03 -1.6326000000e-03 -2.0458000000e-03 -4.3300000000e-05 -1.0755000000e-03  4.4904000000e-03  3.5615000000e-03  1.9221000000e-03 -2.2982000000e-03 -6.1012000000e-03  6.4703000000e-03 -2.2343000000e-03  9.3174000000e-03 -4.5457000000e-03  2.0130000000e-03 -2.9479000000e-03 -1.1385000000e-03  7.4900000000e-05
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1938000000e-01 -3.0083900000e-01  3.9286700000e-01  9.5929000000e-02  9.0189000000e-01  3.0598100000e-01  2.3139360000e+00  3.7844560000e+00 -2.5245400000e-01  3.2068110000e+00  3.5636390000e+00  1.2585000000e-02  2.1445290000e+00  4.6324250000e+00  1.5801200000e-01
+ENERGY -1.526552692320e+02
+FORCES -2.4351000000e-03  3.3343000000e-03  2.3522000000e-03  3.2222000000e-03  1.1679000000e-03 -1.4957000000e-03 -1.3227000000e-03 -4.8920000000e-03 -5.3850000000e-04  3.9268000000e-03  2.9526000000e-03  2.1313000000e-03 -3.8799000000e-03  1.1536000000e-03 -8.9870000000e-04  4.8870000000e-04 -3.7163000000e-03 -1.5507000000e-03
+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3030000000e-03 -6.4522000000e-02  9.5500200000e-01 -8.4050500000e-01  4.0837300000e-01 -2.0740200000e-01 -1.2631500000e-01  3.9066800000e-01  2.8134970000e+00 -5.0296000000e-02 -5.0661200000e-01  3.1380600000e+00 -9.9155900000e-01  6.7862600000e-01  3.1044710000e+00
+ENERGY -1.526588556975e+02
+FORCES -2.7916000000e-03  4.5737000000e-03  1.2143700000e-02  6.9300000000e-04 -5.8545000000e-03 -8.1438000000e-03  2.0355000000e-03 -1.2646000000e-03  4.9020000000e-04 -3.3536000000e-03 -1.2830000000e-04  2.2582000000e-03 -8.7780000000e-04  4.7220000000e-03 -4.8445000000e-03  4.2945000000e-03 -2.0483000000e-03 -1.9037000000e-03
+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5182000000e-02 -1.0147500000e-01  9.5168500000e-01  6.2639400000e-01 -6.5797700000e-01 -3.0154300000e-01 -2.3543100000e-01  2.4707910000e+00 -9.2754700000e-01 -2.3527400000e-01  1.5928440000e+00 -5.4618100000e-01  5.0124000000e-01  2.9149490000e+00 -5.0770000000e-01
+ENERGY -1.526587773823e+02
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+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7844200000e-01 -9.3643600000e-01  8.6473000000e-02  7.8117200000e-01  1.4573000000e-01  5.3363300000e-01 -1.7351400000e-01 -2.2722300000e-01 -2.7107140000e+00 -2.6879100000e-01 -1.1642580000e+00 -2.8813590000e+00 -6.8790000000e-03 -1.7035700000e-01 -1.7698470000e+00
+ENERGY -1.526576334136e+02
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+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1214100000e-01  2.2039200000e-01  9.2470700000e-01  7.5430600000e-01  3.9783900000e-01 -4.3471600000e-01  7.5009000000e-02 -2.5345130000e+00 -1.1392500000e+00 -7.9890300000e-01 -2.9247150000e+00 -1.1233670000e+00 -2.8878000000e-02 -1.6949090000e+00 -6.9147200000e-01
+ENERGY -1.526617013336e+02
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+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3480400000e-01 -5.9065300000e-01  4.0544400000e-01 -1.1187100000e-01  8.2878800000e-01  4.6564700000e-01  1.7064000000e-02 -5.3385000000e-02 -2.8409160000e+00 -8.2966000000e-02 -8.0111000000e-02 -1.8893320000e+00  1.7789000000e-01  8.6907300000e-01 -3.0395060000e+00
+ENERGY -1.526607283762e+02
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+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5261600000e-01 -4.0335900000e-01 -4.3255400000e-01  7.6079600000e-01 -4.2217300000e-01 -3.9898800000e-01  1.8249270000e+00 -1.6003570000e+00 -1.2504210000e+00  1.9724300000e+00 -1.7756700000e+00 -2.1797980000e+00  1.8365610000e+00 -2.4642820000e+00 -8.3843700000e-01
+ENERGY -1.526599410455e+02
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+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5361100000e-01 -8.0742400000e-01  4.9061400000e-01  6.9774800000e-01  5.9021300000e-01  2.8465400000e-01  3.2601900000e-01 -2.2871640000e+00  1.4061200000e+00  1.1180960000e+00 -2.8187810000e+00  1.3272000000e+00  1.6233000000e-01 -2.2387650000e+00  2.3479780000e+00
+ENERGY -1.526602402204e+02
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+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0419200000e-01 -9.0123800000e-01  3.0519800000e-01  7.7713600000e-01  4.5473200000e-01  3.2482400000e-01  2.0827260000e+00  1.2870990000e+00  7.4073800000e-01  2.8096500000e+00  7.8329000000e-01  3.7469200000e-01  2.0663250000e+00  2.0936830000e+00  2.2558200000e-01
+ENERGY -1.526564548410e+02
+FORCES  1.9540100000e-02  1.1758200000e-02  9.4801000000e-03  2.3832000000e-03  3.0143000000e-03 -4.9290000000e-04 -6.3009000000e-03 -5.1674000000e-03 -5.3426000000e-03 -9.8133000000e-03 -5.6794000000e-03 -7.4221000000e-03 -5.8258000000e-03  1.9782000000e-03  1.4690000000e-03  1.6700000000e-05 -5.9039000000e-03  2.3085000000e-03
+
+JOB 60
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8932000000e-02 -1.8106800000e-01 -9.3738700000e-01 -6.7610600000e-01 -5.4664100000e-01  4.0036900000e-01  2.4679620000e+00 -1.0031500000e+00  6.1474600000e-01  1.7236210000e+00 -5.0461600000e-01  2.7762200000e-01  3.2309790000e+00 -6.1312600000e-01  1.8822900000e-01
+ENERGY -1.526600080182e+02
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+
+JOB 61
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3851000000e-02  9.5302000000e-02 -9.4874600000e-01 -8.3991000000e-01  3.0108100000e-01  3.4660200000e-01 -2.3402540000e+00  1.1144780000e+00  6.9501600000e-01 -3.1911910000e+00  8.4241600000e-01  3.5132800000e-01 -2.1376750000e+00  1.9219690000e+00  2.2262700000e-01
+ENERGY -1.526584718569e+02
+FORCES -1.6045000000e-02  5.0010000000e-03  2.8435000000e-03 -5.2810000000e-04  8.2200000000e-04  2.6174000000e-03  9.1464000000e-03 -3.6410000000e-04 -3.2227000000e-03  2.9377000000e-03 -1.5820000000e-03 -4.0630000000e-03  4.7253000000e-03  2.5845000000e-03  7.3470000000e-04 -2.3630000000e-04 -6.4613000000e-03  1.0902000000e-03
+
+JOB 62
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2310000000e-01  2.8830900000e-01 -8.8506300000e-01  8.1918200000e-01  4.5272600000e-01  2.0052900000e-01  1.8489940000e+00  3.6737700000e+00 -2.3376800000e-01  1.8156570000e+00  3.5966710000e+00 -1.1872750000e+00  1.7811110000e+00  2.7728370000e+00  8.2370000000e-02
+ENERGY -1.526518122303e+02
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+
+JOB 63
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7814000000e-02  1.7180300000e-01 -9.3755200000e-01 -3.4690000000e-03 -9.5464900000e-01  6.9756000000e-02  5.2214000000e-01 -1.3544000000e-02 -2.7442650000e+00 -2.9100600000e-01  4.0806500000e-01 -3.0222450000e+00  1.2148770000e+00  5.3574000000e-01 -3.1111900000e+00
+ENERGY -1.526596636820e+02
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+
+JOB 64
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+
+JOB 65
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0424700000e-01 -5.6890000000e-02  9.4980400000e-01  8.0153500000e-01  5.0846800000e-01 -1.2342700000e-01  2.4134290000e+00  1.1952740000e+00 -5.3460100000e-01  2.5550100000e+00  1.2689220000e+00 -1.4784030000e+00  3.2589440000e+00  9.1219300000e-01 -1.8646000000e-01
+ENERGY -1.526608094456e+02
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+
+JOB 66
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1786000000e-02  1.7508800000e-01 -9.3902000000e-01  7.2257600000e-01  5.5150900000e-01  2.9992300000e-01  2.0199800000e+00  1.3267830000e+00  1.1961570000e+00  2.0991430000e+00  1.4290210000e+00  2.1445830000e+00  2.6507630000e+00  6.4157800000e-01  9.7516200000e-01
+ENERGY -1.526595485012e+02
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+
+JOB 67
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+ENERGY -1.526567525580e+02
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+
+JOB 68
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+ENERGY -1.526601417556e+02
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+
+JOB 69
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+ENERGY -1.526588919351e+02
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+
+JOB 70
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+ENERGY -1.526617337013e+02
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+JOB 71
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+ENERGY -1.526607005485e+02
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+JOB 72
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+ENERGY -1.526598489051e+02
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+JOB 73
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+ENERGY -1.526612941453e+02
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+JOB 74
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+ENERGY -1.526587888058e+02
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+JOB 75
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+
+JOB 76
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+
+JOB 77
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+
+JOB 78
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+JOB 79
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+JOB 80
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+
+JOB 81
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+
+JOB 82
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+JOB 83
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+JOB 84
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+JOB 85
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+JOB 86
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+JOB 87
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+JOB 88
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+JOB 89
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+JOB 90
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+JOB 91
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+JOB 92
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+JOB 93
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+JOB 94
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+JOB 95
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+JOB 96
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+JOB 97
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+
+JOB 98
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3464700000e-01  5.1051900000e-01 -3.4043400000e-01  7.7630600000e-01  5.0289300000e-01 -2.4633100000e-01  1.0427200000e-01 -2.9456800000e-01 -4.4362590000e+00  7.6694300000e-01  2.8763100000e-01 -4.0645830000e+00  1.1738200000e-01 -1.0658540000e+00 -3.8695340000e+00
+ENERGY -1.526547386289e+02
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+
+JOB 99
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1473400000e-01 -4.2634900000e-01  2.6583300000e-01  8.7661000000e-02  9.0073300000e-01  3.1181400000e-01 -2.1477530000e+00 -1.2290500000e+00  1.2028950000e+00 -1.9900160000e+00 -2.1034090000e+00  8.4673900000e-01 -1.4205680000e+00 -7.0094300000e-01  8.7344700000e-01
+ENERGY -1.526599506988e+02
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+
+JOB 100
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0840000000e-03  9.5316000000e-01  8.7751000000e-02  1.1215000000e-02 -1.5398700000e-01 -9.4466600000e-01 -1.0294000000e-01  2.6821850000e+00  7.0941900000e-01 -8.9296700000e-01  3.2187610000e+00  6.4480200000e-01  6.1742000000e-02  2.6097580000e+00  1.6495610000e+00
+ENERGY -1.526616060166e+02
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+
+JOB 101
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4052100000e-01 -4.2904200000e-01  4.2869900000e-01 -9.3300000000e-03  8.8459100000e-01  3.6557200000e-01  3.8869500000e-01 -2.3698000000e-02 -2.7322290000e+00  4.5161900000e-01  2.7274000000e-02 -1.7784600000e+00  1.1645960000e+00 -5.1729000000e-01 -2.9978900000e+00
+ENERGY -1.526593022980e+02
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+
+JOB 102
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3617000000e-02  1.1935900000e-01 -9.4510400000e-01 -7.6230600000e-01  5.2931900000e-01  2.3439700000e-01  1.2978700000e-01  1.0383400000e-01 -2.7393470000e+00  9.2041200000e-01  4.9150900000e-01 -3.1146490000e+00  6.5954000000e-02 -7.5766200000e-01 -3.1516370000e+00
+ENERGY -1.526615201949e+02
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+
+JOB 103
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3396000000e-02  1.9323000000e-02 -9.5336400000e-01 -3.0350100000e-01  8.7761400000e-01  2.3219200000e-01 -4.8535300000e-01  2.6078530000e+00  8.4741300000e-01 -7.0486000000e-01  2.5615210000e+00  1.7779520000e+00 -1.1026020000e+00  3.2443080000e+00  4.8663500000e-01
+ENERGY -1.526608435654e+02
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+
+JOB 104
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3146100000e-01 -1.3879600000e-01 -9.3791500000e-01  8.4524000000e-01  4.4512000000e-01  6.0580000000e-02 -2.3324210000e+00  1.1973850000e+00  9.7349500000e-01 -1.6134570000e+00  7.4060000000e-01  5.3683800000e-01 -2.2842320000e+00  2.0937670000e+00  6.4121600000e-01
+ENERGY -1.526597676889e+02
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+
+JOB 105
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7115200000e-01 -5.6693100000e-01 -1.2055000000e-02  2.2988600000e-01  1.1210800000e-01 -9.2239700000e-01 -1.4559500000e-01 -2.9407800000e-01 -2.8233250000e+00  6.1792300000e-01 -7.5347100000e-01 -3.1729420000e+00 -8.9248300000e-01 -8.2528800000e-01 -3.0993790000e+00
+ENERGY -1.526589614361e+02
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+
+JOB 106
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8864600000e-01 -5.0453800000e-01  1.9927500000e-01 -4.4687000000e-02  1.5232500000e-01 -9.4394500000e-01  3.8426160000e+00  8.9678000000e-02 -3.2584200000e-01  3.1778030000e+00 -4.1305200000e-01  1.4481500000e-01  3.7105570000e+00  9.9240100000e-01 -3.6214000000e-02
+ENERGY -1.526570396366e+02
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+
+JOB 107
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2068200000e-01  2.6854200000e-01 -4.1303600000e-01  1.1943500000e-01 -9.0974600000e-01 -2.7263300000e-01 -2.2201260000e+00  1.2867650000e+00 -1.0183860000e+00 -2.9426610000e+00  8.6616300000e-01 -5.5226700000e-01 -2.1852930000e+00  2.1727460000e+00 -6.5775400000e-01
+ENERGY -1.526605802689e+02
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+
+JOB 108
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+ENERGY -1.526600210335e+02
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+
+JOB 109
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+ENERGY -1.526569937393e+02
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+
+JOB 110
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+ENERGY -1.526581217387e+02
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+
+JOB 111
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+ENERGY -1.526602834858e+02
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+
+JOB 112
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+ENERGY -1.526607808318e+02
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+
+JOB 113
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+ENERGY -1.526601130848e+02
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+
+JOB 114
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+ENERGY -1.526578893412e+02
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+
+JOB 115
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+ENERGY -1.526612144327e+02
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+JOB 116
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+ENERGY -1.526604028578e+02
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+JOB 117
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+ENERGY -1.526609670331e+02
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+JOB 118
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+ENERGY -1.526574182888e+02
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+JOB 119
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+JOB 120
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+ENERGY -1.526603241281e+02
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+
+JOB 121
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2359000000e-02 -1.7867000000e-01 -9.3583100000e-01 -7.6693600000e-01 -4.1040300000e-01  3.9951200000e-01 -2.0665560000e+00 -1.2668350000e+00  1.5160530000e+00 -2.8483450000e+00 -8.0852300000e-01  1.2078530000e+00 -2.1206090000e+00 -2.1325130000e+00  1.1111930000e+00
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+
+JOB 122
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+
+JOB 123
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+
+JOB 124
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+ENERGY -1.526550021969e+02
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+
+JOB 125
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+ENERGY -1.526598996325e+02
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+
+JOB 126
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+ENERGY -1.526581523892e+02
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+
+JOB 127
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3682000000e-01 -4.0894500000e-01 -4.5397300000e-01 -4.4332000000e-02  9.2216700000e-01 -2.5273500000e-01  2.4425000000e-02 -5.2326000000e-02  2.6521790000e+00  5.6789000000e-02 -1.8739400000e-01  1.7051090000e+00 -6.1531000000e-02  8.9526500000e-01  2.7566540000e+00
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+
+JOB 128
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+ENERGY -1.526610154277e+02
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+
+JOB 129
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4397000000e-02  4.1652000000e-02 -9.5339500000e-01 -8.2286600000e-01 -3.9527800000e-01  2.8788800000e-01  2.3834560000e+00 -1.1563960000e+00  8.9757200000e-01  1.5647510000e+00 -7.7953700000e-01  5.7519100000e-01  3.0578200000e+00 -5.3423400000e-01  6.2484600000e-01
+ENERGY -1.526614058726e+02
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+
+JOB 130
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+
+JOB 131
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+JOB 132
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+JOB 133
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+ENERGY -1.526588973938e+02
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+JOB 134
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+JOB 135
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+ENERGY -1.526616490568e+02
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+JOB 136
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+JOB 137
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+JOB 138
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+JOB 139
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+JOB 140
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+JOB 141
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+JOB 142
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+JOB 151
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+JOB 165
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+JOB 166
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+JOB 167
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+
+JOB 168
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+JOB 169
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+JOB 170
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+JOB 171
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+JOB 172
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+
+JOB 173
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+JOB 174
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+JOB 175
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+JOB 176
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+JOB 177
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+JOB 178
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+JOB 179
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+JOB 180
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+JOB 181
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+JOB 182
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+JOB 183
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+JOB 184
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+JOB 185
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+JOB 186
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+JOB 187
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+JOB 188
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+JOB 189
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+JOB 190
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+
+JOB 191
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+JOB 192
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+JOB 193
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+JOB 194
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+JOB 195
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+JOB 196
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+JOB 197
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+JOB 198
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+JOB 199
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+JOB 200
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+JOB 201
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+JOB 202
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+JOB 203
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+JOB 204
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+JOB 205
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+JOB 206
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+JOB 207
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+JOB 208
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+
+JOB 209
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+
+JOB 210
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+
+JOB 211
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+
+JOB 212
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+
+JOB 213
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+
+JOB 214
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+
+JOB 215
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+JOB 216
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+JOB 217
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+JOB 218
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+JOB 219
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+JOB 220
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+JOB 221
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+JOB 222
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+JOB 223
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+JOB 224
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+JOB 225
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+JOB 226
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+JOB 227
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+JOB 228
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+JOB 229
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+JOB 230
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+JOB 231
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+JOB 232
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+JOB 233
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+JOB 234
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+JOB 235
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+JOB 236
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+JOB 237
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+JOB 238
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+JOB 239
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+JOB 240
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+JOB 241
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+JOB 242
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+JOB 243
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+JOB 244
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+JOB 245
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+JOB 246
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+JOB 247
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+JOB 248
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+JOB 249
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+JOB 250
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+JOB 251
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+JOB 252
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+
+JOB 253
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+
+JOB 254
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+
+JOB 255
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+
+JOB 256
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+
+JOB 257
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+
+JOB 258
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+
+JOB 259
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+
+JOB 260
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+
+JOB 261
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+JOB 262
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+JOB 263
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+JOB 264
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+JOB 265
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+JOB 266
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+JOB 267
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+JOB 268
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+JOB 269
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+JOB 270
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+JOB 271
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+JOB 272
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+JOB 273
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+JOB 274
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+JOB 275
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+JOB 276
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+JOB 277
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+JOB 278
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+JOB 279
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+JOB 280
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+JOB 281
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+JOB 282
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+JOB 283
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+JOB 284
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+JOB 285
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+JOB 286
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+JOB 287
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+JOB 288
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+JOB 289
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+JOB 290
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+JOB 291
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+JOB 292
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+JOB 293
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+JOB 294
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+JOB 295
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+JOB 296
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+JOB 297
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+JOB 298
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+
+JOB 299
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+JOB 300
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+JOB 301
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+JOB 302
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+JOB 303
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+JOB 304
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+JOB 305
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+JOB 306
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+JOB 307
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+JOB 308
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+JOB 309
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+JOB 310
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+JOB 311
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+JOB 312
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+JOB 313
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+JOB 314
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+JOB 315
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+JOB 316
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+JOB 317
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+JOB 318
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+
+JOB 341
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+
+JOB 342
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+
+JOB 343
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+
+JOB 344
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+
+JOB 345
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+
+JOB 346
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+JOB 347
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+
+JOB 348
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+
+JOB 349
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+JOB 350
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+JOB 351
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+JOB 352
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+JOB 353
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+JOB 354
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+JOB 355
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+JOB 356
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+JOB 357
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+JOB 358
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+JOB 359
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+JOB 360
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+JOB 361
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+JOB 362
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+JOB 363
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+JOB 365
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+JOB 366
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+JOB 367
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+JOB 368
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+JOB 369
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+JOB 370
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+JOB 371
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+JOB 372
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+JOB 373
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+JOB 374
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+JOB 375
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+JOB 376
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+JOB 377
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+JOB 378
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+JOB 379
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+JOB 381
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+JOB 383
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+JOB 388
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+JOB 389
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+JOB 391
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+JOB 392
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+JOB 393
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+JOB 394
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+JOB 408
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+JOB 409
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+JOB 410
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+JOB 411
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+JOB 412
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+JOB 413
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+JOB 432
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+JOB 435
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+JOB 436
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+JOB 437
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+JOB 438
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+
+JOB 495
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+JOB 496
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+JOB 497
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+
+JOB 498
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+
+JOB 499
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+JOB 500
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+JOB 501
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+JOB 502
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+JOB 503
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+JOB 504
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+JOB 505
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+JOB 506
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+JOB 507
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+JOB 508
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+JOB 509
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+JOB 510
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+JOB 511
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+JOB 512
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+JOB 513
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+JOB 514
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+JOB 515
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+JOB 516
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+FORCES  2.7863000000e-03 -3.5119000000e-03  8.8460000000e-03  1.7670000000e-03  1.4358000000e-03 -1.3073000000e-03 -4.3094000000e-03  3.6818000000e-03 -7.7735000000e-03 -3.3450000000e-04  2.9200000000e-05  5.7959000000e-03 -1.5972000000e-03 -4.5500000000e-03 -2.4795000000e-03  1.6878000000e-03  2.9151000000e-03 -3.0817000000e-03
+
+JOB 583
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4120400000e-01  8.6549400000e-01  3.8368500000e-01 -1.5730000000e-03 -5.9689000000e-01  7.4829900000e-01  2.5468100000e-01 -1.3346180000e+00  2.4354390000e+00  6.3108300000e-01 -2.0853020000e+00  2.8948150000e+00 -6.7402100000e-01 -1.3528470000e+00  2.6665460000e+00
+ENERGY -1.526595965683e+02
+FORCES  4.2983000000e-03 -3.7670000000e-03  1.1359000000e-02 -1.0986000000e-03 -2.1389000000e-03 -1.3077000000e-03 -5.9322000000e-03  3.9160000000e-03 -5.6363000000e-03  4.3170000000e-04 -2.3672000000e-03 -5.1400000000e-05 -3.0763000000e-03  3.8330000000e-03 -8.6290000000e-04  5.3771000000e-03  5.2410000000e-04 -3.5007000000e-03
+
+JOB 584
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8989300000e-01  5.2072700000e-01 -1.4541300000e-01 -1.2256200000e-01 -3.8470300000e-01  8.6787900000e-01 -4.8868000000e-01 -1.0465750000e+00  2.7457610000e+00 -4.6820000000e-03 -5.3519600000e-01  3.3941980000e+00  6.2735000000e-02 -1.8119910000e+00  2.5835520000e+00
+ENERGY -1.526610118430e+02
+FORCES -5.5946000000e-03 -1.1623000000e-03  8.8193000000e-03  2.6289000000e-03 -1.1949000000e-03  1.2230000000e-04  4.3715000000e-03  7.2670000000e-04 -9.2089000000e-03  3.3678000000e-03 -1.3798000000e-03  5.0854000000e-03 -2.2708000000e-03 -2.9032000000e-03 -3.5822000000e-03 -2.5028000000e-03  5.9135000000e-03 -1.2358000000e-03
+
+JOB 585
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4467700000e-01  1.2256300000e-01 -9.3788000000e-02  2.9010600000e-01  7.5429400000e-01  5.1294300000e-01  1.3016670000e+00 -1.3857150000e+00 -1.8375980000e+00  7.8211000000e-01 -9.7022300000e-01 -1.1493690000e+00  1.7297980000e+00 -2.1232640000e+00 -1.4029050000e+00
+ENERGY -1.526596228752e+02
+FORCES  5.1511000000e-03 -1.5038000000e-03 -6.1549000000e-03  5.2072000000e-03  2.0160000000e-04  9.7130000000e-04 -3.7241000000e-03 -3.2308000000e-03 -1.5805000000e-03 -7.0670000000e-03  7.7263000000e-03  1.2661000000e-02  1.9631000000e-03 -5.8703000000e-03 -5.8820000000e-03 -1.5303000000e-03  2.6771000000e-03 -1.4900000000e-05
+
+JOB 586
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6128800000e-01 -6.9194800000e-01 -5.5399500000e-01 -1.5358000000e-01 -3.0402800000e-01  8.9454600000e-01 -1.2530390000e+00 -1.6620680000e+00  3.1277210000e+00 -1.8412310000e+00 -1.8142290000e+00  2.3880530000e+00 -5.1418500000e-01 -2.2502840000e+00  2.9717480000e+00
+ENERGY -1.526552847918e+02
+FORCES -1.9460000000e-03 -2.9689000000e-03  2.3263000000e-03  1.1688000000e-03  2.3641000000e-03  2.7828000000e-03  1.1283000000e-03  4.3630000000e-04 -6.3290000000e-03 -1.1612000000e-03 -5.1804000000e-03 -7.0870000000e-04  4.1250000000e-03  1.5563000000e-03  2.3609000000e-03 -3.3149000000e-03  3.7926000000e-03 -4.3220000000e-04
+
+JOB 587
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7883000000e-01 -4.8388900000e-01 -8.0629000000e-01 -5.2705500000e-01 -4.4087400000e-01  6.6638900000e-01 -1.7572510000e+00 -1.9000600000e-01  2.3098540000e+00 -2.4900130000e+00 -8.0587200000e-01  2.3097760000e+00 -1.3591140000e+00 -2.9082500000e-01  3.1744660000e+00
+ENERGY -1.526592325025e+02
+FORCES -6.0601000000e-03 -1.8817000000e-03  5.1989000000e-03 -4.5830000000e-04  1.2042000000e-03  3.4651000000e-03  6.0961000000e-03 -1.5283000000e-03 -8.2344000000e-03 -1.7534000000e-03 -1.4330000000e-04  4.8992000000e-03  4.5644000000e-03  2.4448000000e-03 -8.7340000000e-04 -2.3887000000e-03 -9.5800000000e-05 -4.4553000000e-03
+
+JOB 588
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2438600000e-01 -8.0076700000e-01 -4.7610000000e-03 -5.3684000000e-01 -5.9984000000e-02 -7.9021300000e-01  1.9061180000e+00 -2.2771550000e+00  2.7032000000e-02  2.3740140000e+00 -1.4698180000e+00  2.4036800000e-01  1.7665750000e+00 -2.7041670000e+00  8.7226600000e-01
+ENERGY -1.526599349377e+02
+FORCES  1.9860000000e-03 -8.5762000000e-03 -3.8958000000e-03 -1.1755000000e-03  9.5820000000e-03  2.6629000000e-03  1.7120000000e-03  2.0230000000e-04  2.6728000000e-03  4.6524000000e-03 -1.0182000000e-03  4.6123000000e-03 -7.3058000000e-03 -3.3073000000e-03 -1.5216000000e-03  1.3100000000e-04  3.1173000000e-03 -4.5306000000e-03
+
+JOB 589
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6937200000e-01 -2.0291100000e-01  3.4532800000e-01 -5.1524700000e-01 -7.8892500000e-01  1.6837300000e-01 -9.8202900000e-01  2.4085420000e+00 -4.0606200000e-01 -5.9143600000e-01  1.5588410000e+00 -2.0191300000e-01 -8.7157600000e-01  2.9219400000e+00  3.9422200000e-01
+ENERGY -1.526591684113e+02
+FORCES -3.8876000000e-03  6.9577000000e-03 -5.5350000000e-04 -5.1421000000e-03  3.1000000000e-06 -9.1310000000e-04  4.4484000000e-03  3.0234000000e-03 -1.2020000000e-04  6.3906000000e-03 -1.5256000000e-02  4.1906000000e-03 -2.4976000000e-03  7.8992000000e-03 -9.5910000000e-04  6.8830000000e-04 -2.6274000000e-03 -1.6447000000e-03
+
+JOB 590
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4054000000e-01  6.7206200000e-01  2.3296600000e-01 -1.3607200000e-01 -4.9266400000e-01  8.0932000000e-01  3.7877800000e-01 -1.6685240000e+00  2.5207200000e+00  1.1740960000e+00 -1.5476210000e+00  3.0394520000e+00 -3.0062700000e-01 -1.2065560000e+00  3.0118680000e+00
+ENERGY -1.526582822050e+02
+FORCES  4.2293000000e-03 -3.6869000000e-03  7.5672000000e-03 -2.1544000000e-03 -1.6630000000e-03 -8.7640000000e-04 -4.4960000000e-03  6.1811000000e-03 -4.9052000000e-03  2.9885000000e-03  1.4100000000e-05  5.4907000000e-03 -4.2640000000e-03 -2.9400000000e-04 -1.9028000000e-03  3.6966000000e-03 -5.5130000000e-04 -5.3735000000e-03
+
+JOB 591
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3987000000e-01  3.7544600000e-01 -4.7735100000e-01 -6.2765000000e-02  5.2572300000e-01  7.9743800000e-01  3.8613920000e+00 -1.5468250000e+00  2.8173040000e+00  3.8338350000e+00 -2.2240110000e+00  2.1413660000e+00  3.2103920000e+00 -1.8244180000e+00  3.4617980000e+00
+ENERGY -1.526548349710e+02
+FORCES  3.1031000000e-03  3.9875000000e-03  1.4168000000e-03 -3.1989000000e-03 -1.6245000000e-03  1.6889000000e-03 -7.4500000000e-05 -2.2285000000e-03 -3.2228000000e-03 -2.9289000000e-03 -4.2947000000e-03 -2.1360000000e-04  3.8410000000e-04  2.8434000000e-03  2.8058000000e-03  2.7151000000e-03  1.3169000000e-03 -2.4752000000e-03
+
+JOB 592
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1924500000e-01  6.3030000000e-01  4.9933800000e-01 -1.8811600000e-01  4.4510700000e-01 -8.2627100000e-01  1.3071340000e+00 -2.7677960000e+00 -2.2726000000e-02  1.5421550000e+00 -2.5009320000e+00 -9.1142200000e-01  6.7648200000e-01 -2.1085540000e+00  2.6694300000e-01
+ENERGY -1.526597843995e+02
+FORCES  1.4554000000e-03  4.9267000000e-03 -1.5286000000e-03 -2.5957000000e-03 -2.7505000000e-03 -2.7413000000e-03  1.5160000000e-03 -1.7172000000e-03  3.7154000000e-03 -3.9411000000e-03  8.7333000000e-03 -2.6986000000e-03  2.2080000000e-04 -2.0211000000e-03  1.9427000000e-03  3.3447000000e-03 -7.1712000000e-03  1.3105000000e-03
+
+JOB 593
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7861400000e-01 -7.8574900000e-01  2.6411800000e-01  1.9223400000e-01 -1.3657300000e-01 -9.2769900000e-01 -1.6080990000e+00 -2.0856700000e+00  4.9093900000e-01 -1.1465700000e+00 -2.7945450000e+00  9.3895600000e-01 -2.4071270000e+00 -1.9585650000e+00  1.0024380000e+00
+ENERGY -1.526598766564e+02
+FORCES -1.0902800000e-02 -1.3311200000e-02  4.3180000000e-04  7.9223000000e-03  5.4927000000e-03 -1.6540000000e-04 -4.9550000000e-04 -2.4100000000e-04  2.5372000000e-03  8.4500000000e-04  4.8604000000e-03  1.4903000000e-03 -1.9074000000e-03  5.3280000000e-03 -2.2059000000e-03  4.5385000000e-03 -2.1290000000e-03 -2.0880000000e-03
+
+JOB 594
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8071600000e-01 -3.5724200000e-01 -1.1379700000e-01  1.3960300000e-01  9.2945900000e-01  1.8124200000e-01  3.0212480000e+00 -5.4869300000e-01  1.8210700000e-01  2.9031230000e+00 -1.4655900000e+00 -6.6040000000e-02  3.0287920000e+00 -5.5816200000e-01  1.1392300000e+00
+ENERGY -1.526592453092e+02
+FORCES  9.6003000000e-03  3.0881000000e-03 -4.5720000000e-04 -8.2688000000e-03 -2.5312000000e-03  1.8980000000e-04 -1.6095000000e-03 -2.8042000000e-03  1.0480000000e-04  3.4614000000e-03 -3.8367000000e-03  4.2921000000e-03 -2.3603000000e-03  5.8694000000e-03  1.1478000000e-03 -8.2310000000e-04  2.1450000000e-04 -5.2773000000e-03
+
+JOB 595
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7101700000e-01  5.6653200000e-01 -2.8393000000e-02 -5.5698000000e-02 -3.7375100000e-01 -8.7945400000e-01 -1.7055620000e+00  1.8657000000e+00  8.1980300000e-01 -1.2732060000e+00  1.0761310000e+00  4.9441100000e-01 -2.3640800000e+00  1.5426040000e+00  1.4347790000e+00
+ENERGY -1.526605667863e+02
+FORCES -8.3760000000e-04  6.6678000000e-03 -6.3600000000e-05 -4.5085000000e-03 -3.6416000000e-03 -1.0181000000e-03  2.9570000000e-04  2.8047000000e-03  4.5540000000e-03  8.8489000000e-03 -1.3071700000e-02 -3.9368000000e-03 -6.3415000000e-03  8.0010000000e-03  2.8029000000e-03  2.5429000000e-03 -7.6020000000e-04 -2.3385000000e-03
+
+JOB 596
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7642600000e-01  2.9567500000e-01 -2.4634600000e-01 -1.0922400000e-01 -3.7125600000e-01  8.7548300000e-01 -2.2079040000e+00  1.0491760000e+00 -1.4632380000e+00 -3.0072000000e+00  6.9279100000e-01 -1.0754910000e+00 -2.0242530000e+00  4.7386000000e-01 -2.2058800000e+00
+ENERGY -1.526597231572e+02
+FORCES -8.1227000000e-03  4.7886000000e-03 -2.6187000000e-03  6.6100000000e-03 -7.2943000000e-03  5.8063000000e-03 -1.5590000000e-03  1.6377000000e-03 -3.4058000000e-03 -1.8740000000e-03 -2.3713000000e-03 -4.8412000000e-03  6.2441000000e-03  6.2540000000e-04 -1.7040000000e-04 -1.2984000000e-03  2.6140000000e-03  5.2298000000e-03
+
+JOB 597
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4698800000e-01 -4.8751400000e-01 -6.1592700000e-01  5.3293600000e-01  6.8311000000e-02  7.9217700000e-01  1.1784660000e+00  5.4291700000e-01  2.4048140000e+00  1.4079560000e+00  1.4558760000e+00  2.5782250000e+00  2.0166780000e+00  1.1268200000e-01  2.2359090000e+00
+ENERGY -1.526578727762e+02
+FORCES  5.3255000000e-03  2.4903000000e-03  1.1724800000e-02  7.7400000000e-05  1.8154000000e-03  4.1167000000e-03  5.0200000000e-04 -5.0328000000e-03 -1.0119400000e-02  6.7190000000e-04  4.0707000000e-03 -2.1185000000e-03  5.1000000000e-06 -5.3552000000e-03 -2.7440000000e-04 -6.5819000000e-03  2.0116000000e-03 -3.3291000000e-03
+
+JOB 598
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4092600000e-01 -1.1321600000e-01 -4.4301000000e-01 -2.4036000000e-02 -6.2562900000e-01  7.2404600000e-01 -1.9440980000e+00 -5.7554900000e-01 -1.6103540000e+00 -2.0538560000e+00 -1.5610600000e-01 -2.4637310000e+00 -2.8370920000e+00 -7.2940800000e-01 -1.3019390000e+00
+ENERGY -1.526572113844e+02
+FORCES -1.4290800000e-02 -5.8226000000e-03 -1.1936900000e-02  4.0871000000e-03  1.8154000000e-03  7.0645000000e-03 -1.9285000000e-03  1.3079000000e-03 -2.5590000000e-03  7.9054000000e-03  4.2381000000e-03  3.8716000000e-03 -1.3369000000e-03 -2.8421000000e-03  4.6160000000e-03  5.5638000000e-03  1.3033000000e-03 -1.0561000000e-03
+
+JOB 599
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4101900000e-01  7.6430300000e-01 -4.6452100000e-01  8.1226000000e-02  2.2630800000e-01  9.2650900000e-01  1.2107650000e+00 -1.8995200000e-01  2.8695840000e+00  9.1800200000e-01  7.2134200000e-01  2.8775920000e+00  8.0866700000e-01 -5.7803500000e-01  3.6467200000e+00
+ENERGY -1.526547128022e+02
+FORCES  3.9985000000e-03  1.0447000000e-03  4.4412000000e-03 -1.2719000000e-03 -2.5757000000e-03  2.5737000000e-03 -3.2263000000e-03  4.3891000000e-03 -4.8787000000e-03 -8.3540000000e-04  2.5800000000e-04  5.9415000000e-03 -7.6990000000e-04 -5.3340000000e-03 -4.3579000000e-03  2.1051000000e-03  2.2180000000e-03 -3.7199000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1856400000e-01 -5.4827500000e-01 -3.1510500000e-01 -1.4940300000e-01  8.5124900000e-01 -4.1144300000e-01  2.8636750000e+00 -6.0440600000e-01 -1.0419900000e-01  1.9202500000e+00 -4.4352100000e-01 -8.6958000000e-02  3.2459590000e+00  1.6406300000e-01  3.1952900000e-01
+ENERGY -1.526614350957e+02
+FORCES -3.7915000000e-03  1.0180000000e-04 -2.9222000000e-03  2.8334000000e-03  3.6819000000e-03  1.2131000000e-03  1.1154000000e-03 -4.4156000000e-03  2.0520000000e-03 -9.0660000000e-03  3.3473000000e-03  2.4235000000e-03  1.0443000000e-02 -9.0990000000e-04 -1.0646000000e-03 -1.5343000000e-03 -1.8055000000e-03 -1.7018000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5893800000e-01  6.6404600000e-01  2.0267100000e-01  2.3939900000e-01 -7.4976100000e-01  5.4477400000e-01 -2.3679020000e+00  1.0451240000e+00  4.6087800000e-01 -1.5360050000e+00  5.7165300000e-01  4.6278800000e-01 -3.0336260000e+00  3.6035000000e-01  3.9662700000e-01
+ENERGY -1.526581312198e+02
+FORCES -3.7981000000e-03  4.6846000000e-03  2.0258000000e-03 -4.0396000000e-03 -4.5165000000e-03 -1.3260000000e-04 -3.1666000000e-03  5.0178000000e-03 -2.2122000000e-03  1.5996000000e-02 -8.9962000000e-03 -4.8005000000e-03 -8.4007000000e-03  3.2495000000e-03  4.7241000000e-03  3.4090000000e-03  5.6080000000e-04  3.9540000000e-04
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0997600000e-01 -4.5784200000e-01  2.2483400000e-01 -6.8720000000e-02 -8.6742000000e-02 -9.5078100000e-01 -1.6184490000e+00 -2.7405300000e+00 -7.8817200000e-01 -2.3586490000e+00 -3.3285850000e+00 -9.3826000000e-01 -1.9340600000e+00 -1.8812370000e+00 -1.0678780000e+00
+ENERGY -1.526545420964e+02
+FORCES  4.2793000000e-03 -4.5979000000e-03 -1.9954000000e-03 -2.4983000000e-03  3.2959000000e-03 -8.1060000000e-04 -1.8496000000e-03  5.3310000000e-04  3.5902000000e-03 -4.7381000000e-03  2.1225000000e-03 -1.0180000000e-04  3.1497000000e-03  2.6536000000e-03  8.7950000000e-04  1.6571000000e-03 -4.0072000000e-03 -1.5619000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8376900000e-01 -5.4636300000e-01  5.8527000000e-02 -3.1868100000e-01  8.4307000000e-01 -3.2234700000e-01 -2.2061440000e+00 -1.5497800000e+00 -3.2643600000e-01 -2.1080790000e+00 -2.4949280000e+00 -2.1106000000e-01 -2.9767680000e+00 -1.3231410000e+00  1.9414600000e-01
+ENERGY -1.526598912299e+02
+FORCES -1.3559100000e-02 -7.1431000000e-03 -3.7743000000e-03  7.4096000000e-03  5.5320000000e-03  3.3221000000e-03  1.0680000000e-04 -2.2806000000e-03  1.3397000000e-03  2.3597000000e-03 -5.7820000000e-04  1.4077000000e-03 -1.2839000000e-03  5.3581000000e-03  1.9220000000e-04  4.9668000000e-03 -8.8820000000e-04 -2.4873000000e-03
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4877800000e-01 -1.2630100000e-01  1.0000000000e-02 -3.3639600000e-01 -7.4737500000e-01 -4.9446900000e-01  2.5043890000e+00 -1.0136590000e+00 -2.6245900000e-01  3.3217750000e+00 -5.3200900000e-01 -1.3546800000e-01  2.6673030000e+00 -1.8708450000e+00  1.3114400000e-01
+ENERGY -1.526594164597e+02
+FORCES  1.3842400000e-02 -7.9935000000e-03 -3.7855000000e-03 -6.0217000000e-03  5.3458000000e-03  1.6820000000e-03 -1.9550000000e-04  1.4177000000e-03  1.8021000000e-03 -3.0440000000e-03 -4.9730000000e-04  2.6452000000e-03 -4.7402000000e-03 -2.6586000000e-03  2.0480000000e-04  1.5890000000e-04  4.3860000000e-03 -2.5486000000e-03
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7162700000e-01  5.5208600000e-01 -1.2659000000e-01  3.0499800000e-01 -7.1400300000e-01  5.5982800000e-01  1.9600810000e+00  1.8542810000e+00  1.1600900000e-01  1.8012660000e+00  2.7967690000e+00  6.3800000000e-02  2.8369480000e+00  1.7380400000e+00 -2.4981000000e-01
+ENERGY -1.526597494310e+02
+FORCES  1.1289600000e-02  9.1339000000e-03  2.5670000000e-03 -4.9410000000e-03 -7.5499000000e-03 -1.6857000000e-03  1.3070000000e-04  2.2034000000e-03 -1.8183000000e-03 -4.3910000000e-03  1.7680000000e-04 -8.5470000000e-04  2.9044000000e-03 -4.3771000000e-03 -6.5500000000e-05 -4.9927000000e-03  4.1280000000e-04  1.8572000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9503000000e-01 -5.3252000000e-01  2.4135000000e-02 -2.7642200000e-01  8.2608000000e-01 -3.9675500000e-01 -2.1327550000e+00 -1.7783120000e+00 -1.4810900000e-01 -2.0662000000e+00 -2.7215330000e+00  6.7300000000e-04 -2.9567310000e+00 -1.5270780000e+00  2.6923500000e-01
+ENERGY -1.526608209727e+02
+FORCES -9.9458000000e-03 -6.7807000000e-03 -2.3086000000e-03  6.3345000000e-03  8.0655000000e-03  1.4201000000e-03 -4.0090000000e-04 -2.7473000000e-03  1.4541000000e-03  1.5800000000e-03 -2.0147000000e-03  1.8492000000e-03 -2.2035000000e-03  4.5361000000e-03 -3.8290000000e-04  4.6357000000e-03 -1.0589000000e-03 -2.0319000000e-03
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3303500000e-01 -4.7119600000e-01  1.6065000000e-02 -6.4137100000e-01 -6.5570700000e-01 -2.7372000000e-01 -1.4117040000e+00 -2.2189820000e+00 -1.4127660000e+00 -2.2129290000e+00 -2.6937720000e+00 -1.1917570000e+00 -1.5668840000e+00 -1.8844570000e+00 -2.2960810000e+00
+ENERGY -1.526615183290e+02
+FORCES -1.9084000000e-03 -9.2519000000e-03 -3.3916000000e-03 -1.9448000000e-03  2.1645000000e-03  1.3340000000e-04  3.4268000000e-03  7.8448000000e-03  4.0047000000e-03 -3.5105000000e-03 -1.4591000000e-03 -3.9567000000e-03  3.7227000000e-03  2.6369000000e-03 -1.4923000000e-03  2.1410000000e-04 -1.9352000000e-03  4.7025000000e-03
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8991100000e-01 -6.5604300000e-01 -9.9309000000e-02 -3.7965100000e-01  8.0330700000e-01 -3.5608300000e-01 -1.0456560000e+00  2.1857720000e+00 -1.5706530000e+00 -1.1184200000e+00  3.0650580000e+00 -1.1994480000e+00 -7.0447400000e-01  2.3256620000e+00 -2.4539750000e+00
+ENERGY -1.526615748996e+02
+FORCES -6.2267000000e-03  6.2344000000e-03 -6.1684000000e-03  2.1140000000e-03  1.7842000000e-03  1.6650000000e-04  3.2835000000e-03 -6.4018000000e-03  6.9685000000e-03  2.3797000000e-03  2.0900000000e-03 -3.1250000000e-03  8.7900000000e-04 -4.5218000000e-03 -1.9387000000e-03 -2.4295000000e-03  8.1500000000e-04  4.0970000000e-03
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5260400000e-01  5.9048800000e-01  3.3810000000e-02  3.0205400000e-01 -7.9876800000e-01  4.3239500000e-01 -2.7163710000e+00  6.3547700000e-01  1.5130700000e-01 -1.8237990000e+00  3.3051800000e-01 -1.1630000000e-02 -3.2578800000e+00  1.2586300000e-01 -4.5143100000e-01
+ENERGY -1.526613152050e+02
+FORCES  3.4660000000e-04  2.0076000000e-03  2.4986000000e-03 -2.1446000000e-03 -4.2988000000e-03  3.3730000000e-04 -8.5050000000e-04  4.0906000000e-03 -2.3595000000e-03  1.0159800000e-02 -2.9326000000e-03 -2.3769000000e-03 -1.0290100000e-02  3.7830000000e-04  1.0770000000e-04  2.7788000000e-03  7.5490000000e-04  1.7928000000e-03
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8618800000e-01 -3.2882500000e-01 -1.5092400000e-01  2.1517000000e-02  8.4594500000e-01 -4.4737700000e-01  6.9209000000e-01  2.0295000000e-01  2.6677230000e+00 -5.2468000000e-02 -2.9572500000e-01  3.0041570000e+00  5.5993900000e-01  2.2143900000e-01  1.7198690000e+00
+ENERGY -1.526597510418e+02
+FORCES -3.0597000000e-03  1.1869000000e-03  1.9822000000e-03  4.3354000000e-03  2.2587000000e-03  6.7730000000e-04 -4.7710000000e-04 -4.5399000000e-03  3.3655000000e-03 -5.6241000000e-03 -3.3546000000e-03 -1.3699000000e-02  1.5488000000e-03  1.2620000000e-03 -9.0820000000e-04  3.2768000000e-03  3.1869000000e-03  8.5822000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0011000000e-01  6.5179500000e-01 -3.5230000000e-02  3.8500900000e-01 -7.4066600000e-01  4.6841600000e-01  9.9322700000e-01 -2.2009780000e+00  1.3292230000e+00  7.2042800000e-01 -3.0590040000e+00  1.0042560000e+00  8.2908000000e-01 -2.2379450000e+00  2.2715180000e+00
+ENERGY -1.526616828413e+02
+FORCES  6.9465000000e-03 -9.7629000000e-03  6.1763000000e-03 -1.5700000000e-03 -2.3914000000e-03  9.2060000000e-04 -3.8192000000e-03  8.6686000000e-03 -4.7539000000e-03 -3.6310000000e-03 -7.0100000000e-05 -2.4700000000e-04  1.2896000000e-03  4.0725000000e-03  2.9079000000e-03  7.8400000000e-04 -5.1670000000e-04 -5.0038000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5282200000e-01 -5.7194200000e-01  1.4957600000e-01  1.2752400000e-01 -1.4282000000e-02 -9.4856000000e-01 -1.0413460000e+00 -2.4104600000e-01  3.3903760000e+00 -1.8589410000e+00 -7.3806000000e-01  3.4177160000e+00 -1.3059480000e+00  6.4229500000e-01  3.1336160000e+00
+ENERGY -1.526541673968e+02
+FORCES -2.1006000000e-03 -3.4555000000e-03 -2.4055000000e-03  2.2634000000e-03  2.9080000000e-03 -2.0608000000e-03 -5.5090000000e-04  6.8100000000e-05  4.1504000000e-03 -3.2874000000e-03  2.9152000000e-03 -2.4710000000e-04  3.5255000000e-03  1.7451000000e-03 -1.1427000000e-03  1.4990000000e-04 -4.1808000000e-03  1.7056000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3386700000e-01  7.8491000000e-01  1.2301600000e-01  4.4778300000e-01 -6.7678800000e-01  5.0762200000e-01  1.6960160000e+00  1.0412560000e+00  3.2268290000e+00  1.7843320000e+00  1.9260020000e+00  3.5813110000e+00  1.7899470000e+00  1.1513420000e+00  2.2806320000e+00
+ENERGY -1.526525769696e+02
+FORCES  2.8687000000e-03 -4.6810000000e-04  2.8238000000e-03 -9.3270000000e-04 -3.0040000000e-03  7.1690000000e-04 -1.3543000000e-03  3.6809000000e-03 -2.8947000000e-03  5.8570000000e-04  4.9087000000e-03 -1.2627000000e-03 -2.8210000000e-04 -3.8955000000e-03 -1.6986000000e-03 -8.8540000000e-04 -1.2220000000e-03  2.3152000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2905500000e-01 -3.2948900000e-01  3.4689500000e-01 -2.1211200000e-01  3.0051100000e-01 -8.8370400000e-01  2.0538210000e+00 -1.4902700000e+00  5.3473800000e-01  1.3478750000e+00 -1.0426910000e+00  6.8322000000e-02  1.9505250000e+00 -1.2166520000e+00  1.4461630000e+00
+ENERGY -1.526567126166e+02
+FORCES  5.5742000000e-03 -7.0979000000e-03  2.5806000000e-03  4.4887000000e-03  2.4019000000e-03 -2.2054000000e-03  1.6358000000e-03 -3.4818000000e-03  4.8997000000e-03 -1.7116600000e-02  1.4368500000e-02 -1.6810000000e-03  5.0486000000e-03 -4.3538000000e-03 -2.5086000000e-03  3.6940000000e-04 -1.8369000000e-03 -1.0852000000e-03
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6762000000e-01  3.8657700000e-01 -1.1843100000e-01  5.6167300000e-01  7.3847900000e-01  2.3537800000e-01 -2.5740800000e+00  9.2136500000e-01  2.3434800000e-01 -3.2437230000e+00  2.4252500000e-01  1.5076300000e-01 -2.9264500000e+00  1.6671550000e+00 -2.5131200000e-01
+ENERGY -1.526602826509e+02
+FORCES -1.1959800000e-02  6.8028000000e-03  2.5435000000e-03  9.1786000000e-03 -3.1358000000e-03 -2.6231000000e-03 -2.2027000000e-03 -1.4351000000e-03 -1.0418000000e-03 -3.5900000000e-04 -2.4788000000e-03 -8.8720000000e-04  3.0472000000e-03  4.4638000000e-03 -3.0630000000e-04  2.2958000000e-03 -4.2169000000e-03  2.3149000000e-03
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1548200000e-01 -4.4760700000e-01  2.2554300000e-01 -1.2329000000e-01  2.8095600000e-01 -9.0669500000e-01  2.0754440000e+00 -1.7042370000e+00  4.4194000000e-01  1.3085440000e+00 -1.1933960000e+00  1.8283000000e-01  2.1338750000e+00 -1.5853580000e+00  1.3899300000e+00
+ENERGY -1.526600638710e+02
+FORCES  5.6790000000e-04 -1.9898000000e-03 -1.5294000000e-03  5.5235000000e-03  1.6171000000e-03 -1.4756000000e-03  2.9370000000e-04 -2.6398000000e-03  5.0656000000e-03 -1.1516500000e-02  1.1828000000e-02 -4.1100000000e-05  5.8559000000e-03 -8.0621000000e-03  2.7940000000e-04 -7.2450000000e-04 -7.5340000000e-04 -2.2989000000e-03
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7158200000e-01  1.4239400000e-01  6.6703300000e-01  9.9786000000e-02 -9.5110600000e-01 -4.0883000000e-02  2.0071870000e+00  1.7590400000e+00  1.7629000000e-01  1.2642170000e+00  1.1560180000e+00  1.5195100000e-01  1.6769590000e+00  2.5630320000e+00 -2.2468000000e-01
+ENERGY -1.526600327332e+02
+FORCES  5.5187000000e-03  1.0925000000e-03  1.8418000000e-03  4.1799000000e-03 -7.1820000000e-04 -3.5639000000e-03 -2.2644000000e-03  4.6647000000e-03  1.1192000000e-03 -1.2473400000e-02 -1.0047600000e-02 -3.0258000000e-03  5.4958000000e-03  7.7301000000e-03  2.1750000000e-03 -4.5640000000e-04 -2.7214000000e-03  1.4537000000e-03
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7003000000e-01 -3.6290400000e-01  4.3770700000e-01 -2.4739100000e-01  4.3904000000e-02 -9.2363500000e-01 -8.1524000000e-01 -5.7277000000e-02 -2.5790730000e+00 -1.5414140000e+00 -6.7999800000e-01 -2.6125440000e+00 -1.1261610000e+00  7.0078700000e-01 -3.0739450000e+00
+ENERGY -1.526593490864e+02
+FORCES -6.1446000000e-03 -2.7730000000e-04 -1.4716600000e-02  1.5012000000e-03  5.2900000000e-04 -2.3384000000e-03  2.0694000000e-03 -7.3380000000e-04  9.5809000000e-03 -1.3795000000e-03  1.0016000000e-03  3.8437000000e-03  3.3426000000e-03  4.2417000000e-03  1.2408000000e-03  6.1090000000e-04 -4.7611000000e-03  2.3896000000e-03
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6218300000e-01  6.9088900000e-01  2.0442000000e-02  3.8456000000e-01 -7.1603400000e-01  5.0560900000e-01  2.8953030000e+00 -1.0054180000e+00 -1.5562040000e+00  2.1720050000e+00 -1.6296200000e+00 -1.4975150000e+00  2.5625440000e+00 -3.0452400000e-01 -2.1167850000e+00
+ENERGY -1.526563646863e+02
+FORCES  5.6588000000e-03  5.1020000000e-04  3.6307000000e-03 -3.6794000000e-03 -2.1557000000e-03 -8.6030000000e-04 -2.3805000000e-03  1.9285000000e-03 -2.8480000000e-03 -5.8668000000e-03  1.2080000000e-04 -3.4996000000e-03  3.9144000000e-03  1.6973000000e-03  9.2420000000e-04  2.3534000000e-03 -2.1011000000e-03  2.6530000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7099900000e-01  8.7882700000e-01  2.6543200000e-01  1.2547800000e-01 -1.3503000000e-02 -9.4884400000e-01  3.0971800000e-01  6.4653100000e-01 -2.8845740000e+00  2.4246100000e-01  1.5998930000e+00 -2.8315750000e+00  1.1918720000e+00  4.8645000000e-01 -3.2198510000e+00
+ENERGY -1.526601072848e+02
+FORCES  1.5539000000e-03  3.9694000000e-03 -9.3776000000e-03 -8.4450000000e-04 -2.2302000000e-03 -8.2870000000e-04  1.5900000000e-05 -2.0917000000e-03  9.7769000000e-03  2.5616000000e-03  4.1309000000e-03 -2.9655000000e-03  1.1584000000e-03 -4.9456000000e-03  7.6310000000e-04 -4.4454000000e-03  1.1672000000e-03  2.6318000000e-03
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1411600000e-01  2.7286100000e-01  7.8556000000e-02  4.8774200000e-01  6.4447100000e-01  5.1283200000e-01 -2.4487350000e+00  9.6169900000e-01  2.4991500000e-01 -3.1459780000e+00  3.0637300000e-01  2.2475900000e-01 -2.8476950000e+00  1.7507870000e+00 -1.1669500000e-01
+ENERGY -1.526590000972e+02
+FORCES -1.5540900000e-02  8.9338000000e-03  3.0963000000e-03  5.5911000000e-03 -5.8029000000e-03  3.4800000000e-05 -1.4090000000e-03 -1.0009000000e-03 -1.5933000000e-03  7.2758000000e-03 -1.6633000000e-03 -3.4364000000e-03  3.9716000000e-03  3.9939000000e-03 -7.1440000000e-04  1.1150000000e-04 -4.4606000000e-03  2.6130000000e-03
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0762600000e-01  4.7909700000e-01 -1.8557500000e-01  2.9431800000e-01 -8.3236600000e-01  3.6983200000e-01 -8.6585600000e-01  6.7909000000e-02 -2.3880160000e+00 -2.4620800000e-01  6.9991300000e-01 -2.7524880000e+00 -5.9594000000e-01 -3.3856000000e-02 -1.4753160000e+00
+ENERGY -1.526539695194e+02
+FORCES -2.2640000000e-03 -1.2326000000e-03 -1.4506700000e-02 -5.5916000000e-03 -3.5309000000e-03 -2.0234000000e-03 -9.2490000000e-04  5.2607000000e-03 -2.9276000000e-03  8.1530000000e-03 -4.1450000000e-04  2.4576500000e-02 -1.1470000000e-04 -1.6146000000e-03  3.3599000000e-03  7.4210000000e-04  1.5318000000e-03 -8.4788000000e-03
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1753000000e-01  7.2362000000e-01  1.0612700000e-01  4.4997100000e-01 -7.5659000000e-01  3.7593800000e-01 -1.0862950000e+00  6.5843000000e-02 -2.7814140000e+00 -3.6076000000e-01  4.0554100000e-01 -3.3052810000e+00 -7.8263900000e-01  1.3668600000e-01 -1.8764250000e+00
+ENERGY -1.526607227716e+02
+FORCES  4.0810000000e-03 -2.1604000000e-03  3.1714000000e-03 -2.8523000000e-03 -3.8782000000e-03 -1.8636000000e-03 -1.2761000000e-03  4.5037000000e-03 -9.8190000000e-04  5.0981000000e-03  2.0360000000e-04  7.3583000000e-03 -1.9486000000e-03 -8.1690000000e-04  2.0643000000e-03 -3.1020000000e-03  2.1482000000e-03 -9.7485000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6766000000e-01 -8.1163800000e-01 -4.7892200000e-01 -8.0536000000e-02 -2.4436300000e-01  9.2197200000e-01 -1.0970710000e+00  2.4308920000e+00 -1.1328350000e+00 -3.7758000000e-01  3.0601150000e+00 -1.0814430000e+00 -7.7184100000e-01  1.6564380000e+00 -6.7383800000e-01
+ENERGY -1.526620848748e+02
+FORCES -1.3304000000e-03 -3.8709000000e-03  5.4000000000e-04  9.4560000000e-04  3.3821000000e-03  3.4782000000e-03  4.2730000000e-04  6.4350000000e-04 -4.7564000000e-03  6.3221000000e-03 -7.0270000000e-03  4.2416000000e-03 -2.0771000000e-03 -1.8939000000e-03  1.6230000000e-04 -4.2875000000e-03  8.7663000000e-03 -3.6656000000e-03
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5085300000e-01 -5.8601300000e-01  9.5081000000e-02 -3.3652000000e-01  7.4155400000e-01 -5.0307400000e-01 -2.2357690000e+00 -1.6683670000e+00 -2.6009700000e-01 -1.9431420000e+00 -2.5786380000e+00 -3.0489900000e-01 -3.0876500000e+00 -1.7112420000e+00  1.7428900000e-01
+ENERGY -1.526611049164e+02
+FORCES -1.1829800000e-02 -4.7434000000e-03 -2.7987000000e-03  8.5827000000e-03  3.4876000000e-03  1.4414000000e-03  1.1179000000e-03 -1.4959000000e-03  1.6394000000e-03 -1.4840000000e-04 -1.6224000000e-03  1.1350000000e-03 -1.8605000000e-03  5.0295000000e-03  1.2032000000e-03  4.1381000000e-03 -6.5550000000e-04 -2.6203000000e-03
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6604400000e-01 -6.8730200000e-01  1.5262000000e-02 -3.6774300000e-01  6.7801000000e-01 -5.6683300000e-01 -2.4373060000e+00 -1.7251640000e+00 -1.8034600000e-01 -2.1271720000e+00 -2.6267100000e+00 -2.6557300000e-01 -3.1688730000e+00 -1.7801460000e+00  4.3448700000e-01
+ENERGY -1.526610211660e+02
+FORCES -9.6784000000e-03 -2.7139000000e-03 -2.3989000000e-03  9.0495000000e-03  2.5657000000e-03  2.9000000000e-04  1.8496000000e-03 -1.2620000000e-03  1.8077000000e-03 -3.7636000000e-03 -3.2005000000e-03  2.5127000000e-03 -5.9870000000e-04  5.3395000000e-03  1.2176000000e-03  3.1416000000e-03 -7.2880000000e-04 -3.4291000000e-03
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4266500000e-01 -5.9191100000e-01  1.1967200000e-01 -3.7324600000e-01  7.6948300000e-01 -4.2990100000e-01 -1.6808860000e+00 -9.7262000000e-01 -2.9211740000e+00 -1.9184780000e+00 -1.8508550000e+00 -3.2186380000e+00 -1.7063460000e+00 -1.0277240000e+00 -1.9659010000e+00
+ENERGY -1.526525446781e+02
+FORCES -3.1686000000e-03  2.2379000000e-03 -8.7090000000e-04  2.1813000000e-03  1.7620000000e-03 -3.2208000000e-03  1.1058000000e-03 -4.2587000000e-03  2.5313000000e-03  3.2710000000e-04 -4.5549000000e-03  2.1556000000e-03  9.4610000000e-04  3.7837000000e-03  1.4876000000e-03 -1.3917000000e-03  1.0300000000e-03 -2.0830000000e-03
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3778000000e-02 -8.9644900000e-01 -3.3124000000e-01 -3.5947000000e-02 -9.3344000000e-02  9.5195900000e-01  1.6689510000e+00  8.3926200000e-01 -3.2155810000e+00  1.0369610000e+00  1.2102600000e-01 -3.1846500000e+00  1.2519520000e+00  1.5023270000e+00 -3.7657520000e+00
+ENERGY -1.526530328253e+02
+FORCES  5.1170000000e-04 -3.7777000000e-03  3.3641000000e-03 -4.9600000000e-05  3.8535000000e-03  2.9810000000e-04  1.1300000000e-05  4.3420000000e-04 -3.9896000000e-03 -5.2430000000e-03  3.8960000000e-04 -4.6120000000e-04  2.8140000000e-03  1.7667000000e-03 -1.0100000000e-03  1.9556000000e-03 -2.6662000000e-03  1.7986000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9897000000e-02 -8.2578400000e-01 -4.8033800000e-01 -3.5786100000e-01 -1.9911300000e-01  8.6517100000e-01  2.6413060000e+00  1.2024470000e+00 -4.2648400000e-01  1.8757190000e+00  7.9561600000e-01 -2.0778000000e-02  2.3758270000e+00  1.3638010000e+00 -1.3318670000e+00
+ENERGY -1.526607825789e+02
+FORCES -2.3131000000e-03 -4.1140000000e-03  5.3230000000e-04  1.8700000000e-04  4.2553000000e-03  2.5669000000e-03  2.4879000000e-03  5.6940000000e-04 -4.3963000000e-03 -1.1053400000e-02 -2.9351000000e-03 -9.8690000000e-04  8.7804000000e-03  2.8458000000e-03  3.7850000000e-04  1.9113000000e-03 -6.2130000000e-04  1.9054000000e-03
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0092100000e-01  7.4124100000e-01  7.5416000000e-02  2.6307100000e-01 -5.9464600000e-01  7.0244000000e-01  1.8410290000e+00  1.8555100000e+00  5.8683900000e-01  2.6903620000e+00  1.8001510000e+00  1.4888800000e-01  1.6146640000e+00  2.7850100000e+00  5.5487400000e-01
+ENERGY -1.526600001222e+02
+FORCES  1.2582700000e-02  1.0676300000e-02  6.3542000000e-03 -6.4722000000e-03 -4.8340000000e-03 -3.3577000000e-03 -4.9470000000e-04  9.3720000000e-04 -2.0093000000e-03 -2.5876000000e-03 -2.5236000000e-03 -2.6818000000e-03 -4.7441000000e-03  1.0323000000e-03  2.4535000000e-03  1.7159000000e-03 -5.2883000000e-03 -7.5890000000e-04
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0981800000e-01 -5.0856000000e-01 -4.2342000000e-02 -2.4312100000e-01  8.6607600000e-01 -3.2716300000e-01 -1.4729970000e+00 -6.9306600000e-01 -2.9458150000e+00 -1.5354710000e+00 -1.6252980000e+00 -3.1538350000e+00 -1.7669940000e+00 -6.2972400000e-01 -2.0370880000e+00
+ENERGY -1.526511427432e+02
+FORCES -2.8223000000e-03  2.1002000000e-03 -2.6038000000e-03  1.6168000000e-03  1.8934000000e-03 -2.2180000000e-03  2.3260000000e-04 -4.2191000000e-03  2.1835000000e-03  2.9540000000e-04 -4.2566000000e-03  2.7510000000e-03 -4.6000000000e-05  4.1051000000e-03  1.0622000000e-03  7.2350000000e-04  3.7690000000e-04 -1.1749000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8546400000e-01 -4.1271400000e-01  3.5909100000e-01 -1.6074700000e-01  4.2349000000e-02 -9.4265500000e-01 -2.5326290000e+00 -1.1378980000e+00  3.7222400000e-01 -2.7968660000e+00 -2.0148380000e+00  9.4042000000e-02 -2.8015380000e+00 -1.0858660000e+00  1.2894010000e+00
+ENERGY -1.526599126886e+02
+FORCES -1.3124000000e-02 -5.3360000000e-03 -2.1341000000e-03  7.3690000000e-03  3.9444000000e-03  3.1086000000e-03  1.7519000000e-03 -3.6200000000e-05  1.8716000000e-03  3.0120000000e-04 -2.6030000000e-03  2.7740000000e-04  4.7390000000e-04  4.5904000000e-03  1.8088000000e-03  3.2280000000e-03 -5.5950000000e-04 -4.9323000000e-03
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0644000000e-02 -8.0971700000e-01 -5.1006300000e-01 -1.7166700000e-01 -2.8587300000e-01  8.9723900000e-01 -1.8029810000e+00  2.1553740000e+00  2.3007530000e+00 -1.0732730000e+00  2.6078150000e+00  1.8776040000e+00 -1.5083150000e+00  2.0138070000e+00  3.2003990000e+00
+ENERGY -1.526553882582e+02
+FORCES -2.0951000000e-03 -4.4996000000e-03  1.7317000000e-03 -6.4900000000e-05  3.1534000000e-03  2.1657000000e-03  2.5545000000e-03  5.0710000000e-04 -3.8307000000e-03  3.8481000000e-03  2.8803000000e-03  7.9060000000e-04 -3.2771000000e-03 -1.6945000000e-03  3.1368000000e-03 -9.6550000000e-04 -3.4680000000e-04 -3.9942000000e-03
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0236400000e-01  5.1184300000e-01 -1.0228000000e-01  3.0002400000e-01 -8.6074300000e-01  2.9213000000e-01  1.6076800000e+00  5.3101200000e-01  2.7664430000e+00  1.7003780000e+00  1.4644340000e+00  2.9571300000e+00  2.1311720000e+00  3.9423100000e-01  1.9768360000e+00
+ENERGY -1.526512197011e+02
+FORCES  3.8728000000e-03 -1.2915000000e-03  4.2085000000e-03 -1.5698000000e-03 -2.0365000000e-03  6.0680000000e-04 -3.8040000000e-04  3.4247000000e-03 -2.5901000000e-03  6.6130000000e-04  3.9892000000e-03 -2.5669000000e-03 -8.2000000000e-06 -4.0566000000e-03 -1.0462000000e-03 -2.5756000000e-03 -2.9300000000e-05  1.3879000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0934600000e-01  2.9092200000e-01  6.8457000000e-02  5.0374500000e-01  6.7954600000e-01  4.4798400000e-01  1.2032910000e+00  2.2594410000e+00  1.2445950000e+00  2.0370330000e+00  2.6466800000e+00  9.7785100000e-01  1.3234370000e+00  2.0447480000e+00  2.1696380000e+00
+ENERGY -1.526613967348e+02
+FORCES  2.4912000000e-03  1.1246700000e-02  4.3227000000e-03  2.4023000000e-03 -1.1936000000e-03  1.3720000000e-04 -3.5984000000e-03 -9.2900000000e-03 -2.1708000000e-03  3.3245000000e-03  9.0310000000e-04  8.1900000000e-04 -3.9891000000e-03 -1.9170000000e-03  2.4775000000e-03 -6.3050000000e-04  2.5090000000e-04 -5.5856000000e-03
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3396400000e-01 -7.1487800000e-01 -5.7185000000e-02 -5.0886400000e-01  7.8789000000e-01 -1.9109900000e-01  1.4387160000e+00  2.8299580000e+00  9.3590100000e-01  2.1261510000e+00  2.2661070000e+00  1.2904940000e+00  1.3475380000e+00  2.5528730000e+00  2.4231000000e-02
+ENERGY -1.526556956884e+02
+FORCES -5.6631000000e-03  2.9040000000e-04  2.7720000000e-04  2.5474000000e-03  3.1502000000e-03  5.1790000000e-04  3.1469000000e-03 -3.3727000000e-03 -1.2658000000e-03  3.3233000000e-03 -6.1554000000e-03 -1.7198000000e-03 -1.7457000000e-03  3.7692000000e-03 -9.2560000000e-04 -1.6089000000e-03  2.3183000000e-03  3.1161000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7370300000e-01  3.6851500000e-01 -4.2639500000e-01  2.2584200000e-01 -2.1531000000e-02  9.2992700000e-01  6.4927300000e-01 -1.7980000000e-03  2.8528030000e+00  1.2781450000e+00  7.1969800000e-01  2.8667940000e+00  1.1195560000e+00 -7.3769400000e-01  3.2446210000e+00
+ENERGY -1.526604525633e+02
+FORCES  3.5816000000e-03  5.4100000000e-05  9.0713000000e-03 -1.9910000000e-03 -8.5090000000e-04  2.3710000000e-03 -6.0400000000e-04  1.7848000000e-03 -1.0939600000e-02  3.7465000000e-03 -9.3840000000e-04  3.5938000000e-03 -3.0166000000e-03 -4.4878000000e-03 -2.2271000000e-03 -1.7165000000e-03  4.4382000000e-03 -1.8695000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5158100000e-01 -3.0171800000e-01  5.1022000000e-01 -3.0788200000e-01 -4.3410000000e-03 -9.0632300000e-01 -2.6525600000e+00 -8.5696100000e-01  2.7111100000e-01 -2.7474460000e+00 -1.7009800000e+00 -1.7031900000e-01 -2.8169140000e+00 -1.0491530000e+00  1.1943020000e+00
+ENERGY -1.526574498430e+02
+FORCES -1.5081300000e-02 -3.1365000000e-03 -2.2223000000e-03  6.5359000000e-03  6.9310000000e-04  4.5749000000e-03  3.1315000000e-03 -1.6890000000e-04  8.2670000000e-04  5.8670000000e-04 -3.4096000000e-03 -4.0620000000e-04  7.8730000000e-04  4.6251000000e-03  2.1644000000e-03  4.0398000000e-03  1.3969000000e-03 -4.9375000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9387500000e-01  6.0871100000e-01  2.5345500000e-01  1.6348500000e-01 -7.8278500000e-01  5.2607300000e-01 -1.8347530000e+00 -2.8828990000e+00 -5.8438800000e-01 -2.5262110000e+00 -2.4033220000e+00 -1.0405930000e+00 -1.8018740000e+00 -2.4863450000e+00  2.8618400000e-01
+ENERGY -1.526543289643e+02
+FORCES  4.7623000000e-03 -1.1629000000e-03  2.1937000000e-03 -2.9496000000e-03 -2.6892000000e-03 -1.2252000000e-03 -2.1767000000e-03  3.6678000000e-03 -5.5700000000e-04 -3.3341000000e-03  5.4364000000e-03  3.5580000000e-04  2.0171000000e-03 -3.1357000000e-03  1.8638000000e-03  1.6809000000e-03 -2.1165000000e-03 -2.6311000000e-03
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5557500000e-01 -4.3063000000e-02 -3.5411000000e-02 -2.9347200000e-01 -6.7072200000e-01 -6.1663400000e-01 -3.7283200000e-01  2.6190680000e+00 -4.3445000000e-01 -1.2042110000e+00  2.9227340000e+00 -6.9994000000e-02 -4.8021800000e-01  1.6718070000e+00 -5.2044900000e-01
+ENERGY -1.526592614513e+02
+FORCES  4.6588000000e-03  3.6082000000e-03 -2.0050000000e-04 -5.5847000000e-03 -1.0512000000e-03 -7.6770000000e-04  1.1658000000e-03  5.4949000000e-03  2.3386000000e-03 -3.8960000000e-04 -1.4707700000e-02  4.0520000000e-03  2.0807000000e-03 -2.2374000000e-03 -1.1538000000e-03 -1.9309000000e-03  8.8932000000e-03 -4.2686000000e-03
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3453500000e-01  6.1209700000e-01  4.5029000000e-02  2.9160700000e-01 -7.6204800000e-01  5.0048000000e-01  1.0768250000e+00 -2.1217340000e+00  1.2774420000e+00  1.0691000000e+00 -2.9861910000e+00  8.6648300000e-01  7.5726900000e-01 -2.2757880000e+00  2.1664770000e+00
+ENERGY -1.526606939309e+02
+FORCES  8.8240000000e-03 -1.1516200000e-02  7.3405000000e-03 -1.8159000000e-03 -1.7173000000e-03  2.3550000000e-04 -5.0640000000e-03  7.5483000000e-03 -3.0244000000e-03 -3.0485000000e-03  9.7190000000e-04 -2.6663000000e-03 -1.5710000000e-04  4.0379000000e-03  3.5108000000e-03  1.2615000000e-03  6.7540000000e-04 -5.3961000000e-03
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0270600000e-01 -2.4824000000e-01 -1.9932600000e-01 -5.3401200000e-01 -6.5124700000e-01 -4.5490600000e-01 -2.3673080000e+00 -1.9726770000e+00  2.1486880000e+00 -3.1488630000e+00 -2.5196230000e+00  2.0696060000e+00 -2.6210900000e+00 -1.1342510000e+00  1.7628540000e+00
+ENERGY -1.526548967327e+02
+FORCES  2.4358000000e-03 -4.8476000000e-03 -1.8776000000e-03 -3.5302000000e-03  1.2694000000e-03  3.2790000000e-04  1.4790000000e-03  3.6887000000e-03  1.3391000000e-03 -4.0302000000e-03  2.2911000000e-03 -6.9220000000e-04  3.4988000000e-03  2.2092000000e-03 -3.4800000000e-05  1.4690000000e-04 -4.6109000000e-03  9.3750000000e-04
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4456300000e-01 -6.8525200000e-01 -1.7663700000e-01 -3.6772700000e-01  7.8550600000e-01 -4.0495600000e-01  8.4151900000e-01 -3.9629000000e-02  2.5914030000e+00  1.6665700000e-01 -5.0884700000e-01  3.0819400000e+00  4.3996300000e-01  1.3838100000e-01  1.7409350000e+00
+ENERGY -1.526593260939e+02
+FORCES -1.2112000000e-03 -1.4963000000e-03  1.3516000000e-03  2.6540000000e-03  4.4442000000e-03  1.3992000000e-03  1.4370000000e-03 -4.5748000000e-03  3.1140000000e-03 -5.8340000000e-03 -4.6760000000e-04 -1.3303700000e-02  1.3348000000e-03  9.5070000000e-04 -2.6800000000e-03  1.6194000000e-03  1.1438000000e-03  1.0118900000e-02
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1858000000e-02 -9.2495500000e-01 -2.4606800000e-01 -3.1005000000e-01  3.4630000000e-03  9.0558800000e-01 -1.4197820000e+00  1.8318010000e+00 -1.3829860000e+00 -8.9622500000e-01  2.6101920000e+00 -1.5733220000e+00 -8.5004700000e-01  1.2859980000e+00 -8.4101500000e-01
+ENERGY -1.526606106358e+02
+FORCES -4.7825000000e-03 -4.4880000000e-04 -3.3312000000e-03  2.8580000000e-04  3.9586000000e-03  3.2461000000e-03  1.1115000000e-03  1.9550000000e-04 -5.4700000000e-03  9.3735000000e-03 -9.2983000000e-03  6.2830000000e-03 -4.8180000000e-04 -3.0355000000e-03  1.5314000000e-03 -5.5064000000e-03  8.6285000000e-03 -2.2593000000e-03
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5638400000e-01 -8.7102400000e-01  3.0301200000e-01 -9.2220700000e-01  7.7340000000e-02  2.4450700000e-01 -2.5289660000e+00  7.7106500000e-01  6.8511200000e-01 -3.3455040000e+00  2.9397400000e-01  8.3303700000e-01 -2.7818260000e+00  1.5164330000e+00  1.4039100000e-01
+ENERGY -1.526607186972e+02
+FORCES -1.1923500000e-02  1.6866000000e-03  4.6429000000e-03 -2.3464000000e-03  2.3446000000e-03 -4.0480000000e-04  9.3033000000e-03 -3.0424000000e-03 -3.2284000000e-03  1.1604000000e-03  6.6750000000e-04 -2.9797000000e-03  3.8186000000e-03  2.7754000000e-03 -1.0809000000e-03 -1.2500000000e-05 -4.4317000000e-03  3.0509000000e-03
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9944600000e-01  6.0662000000e-01 -4.3463700000e-01  3.4270200000e-01 -7.9507000000e-02  8.9020600000e-01  2.6170170000e+00  1.2703770000e+00 -4.3194400000e-01  2.7193870000e+00  2.2199240000e+00 -3.6781000000e-01  2.6983460000e+00  1.0828470000e+00 -1.3670640000e+00
+ENERGY -1.526588590606e+02
+FORCES  1.1056300000e-02  4.5957000000e-03  2.5610000000e-03 -6.9132000000e-03 -2.4094000000e-03 -3.0225000000e-03 -3.0878000000e-03 -6.4300000000e-04 -1.6092000000e-03  3.4009000000e-03  2.0845000000e-03 -2.6342000000e-03 -1.4523000000e-03 -5.0558000000e-03 -4.9250000000e-04 -3.0040000000e-03  1.4279000000e-03  5.1974000000e-03
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4352100000e-01 -7.0837500000e-01 -1.7815000000e-02 -4.8770900000e-01  7.7439600000e-01 -2.8050400000e-01 -3.2064300000e-01  2.8218790000e+00  2.1132750000e+00  5.6454400000e-01  2.5771750000e+00  1.8434690000e+00 -3.7335200000e-01  3.7616760000e+00  1.9393960000e+00
+ENERGY -1.526561680396e+02
+FORCES -5.9734000000e-03  4.9040000000e-04 -1.8100000000e-05  2.5684000000e-03  2.5895000000e-03 -4.1280000000e-04  3.0572000000e-03 -3.6780000000e-03 -3.9960000000e-04  4.6059000000e-03  2.0910000000e-03 -2.1660000000e-04 -4.2437000000e-03  2.7084000000e-03  8.9640000000e-04 -1.4500000000e-05 -4.2012000000e-03  1.5070000000e-04
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3279000000e-02 -8.3419700000e-01 -4.6365600000e-01 -4.4481000000e-02 -2.3575900000e-01  9.2664500000e-01  2.4785500000e+00  1.1572940000e+00 -6.1390000000e-01  1.7120200000e+00  6.8906200000e-01 -2.8311100000e-01  2.2907010000e+00  1.3000560000e+00 -1.5415660000e+00
+ENERGY -1.526603138622e+02
+FORCES -1.6920000000e-04 -2.7914000000e-03  9.1120000000e-04  1.3000000000e-03  4.8054000000e-03  2.5020000000e-03  1.7153000000e-03  1.0225000000e-03 -5.5775000000e-03 -1.3742000000e-02 -4.1464000000e-03  1.9470000000e-04  9.9643000000e-03  2.0446000000e-03 -1.8480000000e-04  9.3170000000e-04 -9.3470000000e-04  2.1545000000e-03
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1198500000e-01  2.6282300000e-01 -4.3340200000e-01  2.5243200000e-01 -1.5216200000e-01  9.1069000000e-01  1.4237540000e+00 -2.6836640000e+00  4.4711900000e-01  1.3719870000e+00 -3.6227560000e+00  2.6918900000e-01  6.1546400000e-01 -2.4839710000e+00  9.1937200000e-01
+ENERGY -1.526543028464e+02
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+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2735100000e-01 -2.0956100000e-01 -1.1106500000e-01 -4.6207900000e-01 -7.3450800000e-01 -4.0399600000e-01  2.7193680000e+00 -5.4795000000e-01 -5.0825400000e-01  3.3135500000e+00  1.4389900000e-01 -7.9898400000e-01  3.2738630000e+00 -1.1452460000e+00 -6.2530000000e-03
+ENERGY -1.526617845570e+02
+FORCES  1.0298500000e-02 -4.2533000000e-03 -3.5032000000e-03 -9.6282000000e-03  1.8383000000e-03  2.0447000000e-03  1.6536000000e-03  1.7303000000e-03  1.3375000000e-03  1.3982000000e-03  1.6801000000e-03  1.1753000000e-03 -1.7474000000e-03 -4.2625000000e-03  1.9199000000e-03 -1.9747000000e-03  3.2671000000e-03 -2.9743000000e-03
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8152200000e-01 -3.0952700000e-01  4.5787400000e-01 -3.2831500000e-01  3.3951800000e-01 -8.3256700000e-01  1.3355290000e+00  2.0795440000e+00  1.3076990000e+00  2.2299780000e+00  1.7512260000e+00  1.2160470000e+00  7.8885900000e-01  1.4000420000e+00  9.1316000000e-01
+ENERGY -1.526615157890e+02
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+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3683300000e-01 -4.5968400000e-01  6.8074000000e-02 -2.2571700000e-01  8.5710600000e-01 -3.6146000000e-01 -2.2652790000e+00 -1.6316390000e+00 -1.2026800000e-01 -2.1286020000e+00 -2.5626120000e+00  5.5347000000e-02 -3.1155160000e+00 -1.4354850000e+00  2.7324400000e-01
+ENERGY -1.526611358110e+02
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+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4043200000e-01  4.3649100000e-01 -1.3921700000e-01  2.3272100000e-01 -8.9004100000e-01  2.6438600000e-01 -2.6222890000e+00  9.7938600000e-01  2.5881000000e-01 -1.7476440000e+00  6.3786600000e-01  7.2819000000e-02 -3.2133740000e+00  2.6108600000e-01  3.3210000000e-02
+ENERGY -1.526609105835e+02
+FORCES  5.3520000000e-04  6.9360000000e-04  1.4300000000e-03 -2.9628000000e-03 -3.6173000000e-03  1.0375000000e-03 -2.4270000000e-04  4.2801000000e-03 -1.7409000000e-03  9.4825000000e-03 -5.2886000000e-03 -2.0504000000e-03 -9.2995000000e-03  2.5506000000e-03  4.2080000000e-04  2.4873000000e-03  1.3817000000e-03  9.0300000000e-04
+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2085000000e-02  9.4450600000e-01  1.3764000000e-01  2.6144600000e-01 -1.3033200000e-01 -9.1153200000e-01 -2.4404130000e+00 -8.9138200000e-01  7.6466400000e-01 -1.6298680000e+00 -3.9863200000e-01  6.3642300000e-01 -2.3883150000e+00 -1.2086260000e+00  1.6662590000e+00
+ENERGY -1.526593388446e+02
+FORCES -3.3217000000e-03 -2.2162000000e-03 -4.0016000000e-03 -2.7574000000e-03 -5.7222000000e-03 -2.2670000000e-04  3.4800000000e-05  2.2815000000e-03  4.7413000000e-03  1.4116700000e-02  3.0161000000e-03 -2.6594000000e-03 -9.0160000000e-03  9.8590000000e-04  4.7902000000e-03  9.4360000000e-04  1.6549000000e-03 -2.6438000000e-03
+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7444300000e-01 -4.5193700000e-01  3.3499600000e-01 -1.6328900000e-01  9.2344000000e-02 -9.3863800000e-01  2.1549110000e+00 -1.6457030000e+00  6.8410700000e-01  1.4743850000e+00 -1.2347790000e+00  1.5094900000e-01  1.9767230000e+00 -1.3440630000e+00  1.5748900000e+00
+ENERGY -1.526590331640e+02
+FORCES -2.4767000000e-03 -1.2559000000e-03 -1.8080000000e-04  4.9024000000e-03  1.9097000000e-03 -1.8033000000e-03  1.9108000000e-03 -2.3647000000e-03  5.2208000000e-03 -1.0737400000e-02  1.0782400000e-02 -4.7550000000e-04  5.4659000000e-03 -6.7981000000e-03 -1.4711000000e-03  9.3500000000e-04 -2.2734000000e-03 -1.2900000000e-03
+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8422400000e-01 -3.2233700000e-01  1.7457900000e-01 -2.4411000000e-02  2.8486200000e-01 -9.1350400000e-01  1.5063770000e+00  1.6783350000e+00  1.7005060000e+00  2.3457840000e+00  1.2225990000e+00  1.7632060000e+00  1.0300350000e+00  1.2106490000e+00  1.0145040000e+00
+ENERGY -1.526611346757e+02
+FORCES -3.6865000000e-03  1.5170000000e-04  8.2420000000e-04  4.0229000000e-03  1.1264000000e-03 -2.6974000000e-03  2.9820000000e-04 -7.9750000000e-04  5.3467000000e-03 -4.4205000000e-03 -8.9893000000e-03 -6.3151000000e-03 -2.4247000000e-03  1.2755000000e-03 -5.5420000000e-04  6.2105000000e-03  7.2332000000e-03  3.3957000000e-03
+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7338000000e-01  2.5803600000e-01  2.9471400000e-01 -7.5628000000e-02 -9.2066900000e-01  2.5076000000e-01 -2.8599320000e+00  5.7547700000e-01  8.9338000000e-02 -1.9153020000e+00  5.3800200000e-01 -6.0672000000e-02 -3.2230240000e+00 -8.4949000000e-02 -5.0077500000e-01
+ENERGY -1.526606573864e+02
+FORCES  2.9458000000e-03 -1.0708000000e-03  3.2923000000e-03 -3.3534000000e-03 -2.7993000000e-03 -1.1204000000e-03  1.2560000000e-04  4.6775000000e-03 -1.7968000000e-03  8.1664000000e-03 -1.4106000000e-03 -2.7875000000e-03 -9.7211000000e-03 -7.3320000000e-04  6.6500000000e-05  1.8368000000e-03  1.3364000000e-03  2.3459000000e-03
+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5986400000e-01 -9.1986000000e-01 -5.0604000000e-02 -4.0570000000e-02  2.0986200000e-01  9.3302900000e-01 -1.3378890000e+00  2.1569880000e+00 -1.4145850000e+00 -5.3749300000e-01  2.6476140000e+00 -1.2278110000e+00 -1.2143110000e+00  1.3181070000e+00 -9.7046800000e-01
+ENERGY -1.526601982020e+02
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+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6344100000e-01 -3.5232600000e-01  2.1579500000e-01 -4.1904000000e-02  1.7937700000e-01 -9.3930800000e-01  2.2431580000e+00 -1.4137240000e+00  8.5187800000e-01  1.4675090000e+00 -8.8453000000e-01  6.6599100000e-01  2.3168720000e+00 -1.4045500000e+00  1.8061910000e+00
+ENERGY -1.526615119389e+02
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+
+JOB 60
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7350500000e-01 -9.1196600000e-01  2.3333600000e-01 -8.4702400000e-01  1.9351200000e-01  4.0166700000e-01  4.8067400000e-01 -2.6339340000e+00  5.4465900000e-01  1.3300010000e+00 -3.0238550000e+00  3.3768600000e-01 -1.5899900000e-01 -3.2380230000e+00  1.6766000000e-01
+ENERGY -1.526608627067e+02
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+
+JOB 61
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0551700000e-01 -2.7973900000e-01 -1.3422900000e-01 -5.1087700000e-01 -5.4561900000e-01 -5.9794400000e-01  2.5869860000e+00 -9.0704200000e-01 -7.5125400000e-01  3.2052310000e+00 -1.7680200000e-01 -7.2376900000e-01  2.9125070000e+00 -1.5219570000e+00 -9.3874000000e-02
+ENERGY -1.526614262487e+02
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+
+JOB 62
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+ENERGY -1.526606956209e+02
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+
+JOB 63
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+ENERGY -1.526553638608e+02
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+
+JOB 64
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+ENERGY -1.526573297067e+02
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+JOB 65
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+ENERGY -1.526599827971e+02
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+
+JOB 66
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+ENERGY -1.526594489305e+02
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+JOB 67
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+ENERGY -1.526551539697e+02
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+JOB 68
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+ENERGY -1.526609728535e+02
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+JOB 69
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+ENERGY -1.526595186581e+02
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+JOB 70
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+ENERGY -1.526563252077e+02
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+
+JOB 71
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8832000000e-01  2.7325300000e-01 -2.2902500000e-01  8.7690000000e-02  2.2144000000e-01  9.2709600000e-01 -2.1962470000e+00  1.5992080000e+00  4.4179000000e-02 -3.0966430000e+00  1.2843710000e+00  1.2416600000e-01 -2.0954270000e+00  1.8043600000e+00 -8.8532600000e-01
+ENERGY -1.526569938799e+02
+FORCES -1.2941200000e-02  1.0047500000e-02  5.6817000000e-03  3.6863000000e-03 -3.5855000000e-03 -6.6560000000e-03  1.6403000000e-03 -1.9777000000e-03 -1.8398000000e-03  1.1404000000e-03  1.8610000000e-04 -1.9421000000e-03  5.8310000000e-03  5.4560000000e-04 -8.2900000000e-04  6.4320000000e-04 -5.2159000000e-03  5.5852000000e-03
+
+JOB 72
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6421000000e-01  3.8397600000e-01 -5.7238100000e-01  4.4628000000e-01 -1.2086900000e-01  8.3812700000e-01 -2.0519100000e+00  1.9539990000e+00 -2.3278500000e-01 -1.3701690000e+00  1.2997000000e+00 -7.9968000000e-02 -2.4216820000e+00  1.7209140000e+00 -1.0843560000e+00
+ENERGY -1.526614315054e+02
+FORCES  3.7162000000e-03  9.7960000000e-04  1.4202000000e-03 -4.4109000000e-03 -1.3471000000e-03  3.2983000000e-03 -1.7110000000e-03  1.0946000000e-03 -4.7649000000e-03  6.6515000000e-03 -1.0269300000e-02 -4.2460000000e-04 -6.0501000000e-03  8.7434000000e-03 -1.6407000000e-03  1.8043000000e-03  7.9880000000e-04  2.1117000000e-03
+
+JOB 73
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9823400000e-01 -4.4160200000e-01  4.8341400000e-01  4.8770000000e-02 -3.6835900000e-01 -8.8213700000e-01  4.9481800000e-01 -7.0687300000e-01 -2.6211670000e+00  1.3461320000e+00 -1.1434130000e+00 -2.5906880000e+00 -1.1295400000e-01 -1.3862800000e+00 -2.9131450000e+00
+ENERGY -1.526588461658e+02
+FORCES  4.1398000000e-03 -4.0087000000e-03 -1.3250600000e-02 -1.4823000000e-03  8.0630000000e-04 -2.6228000000e-03 -2.8006000000e-03 -3.9720000000e-04  1.0478200000e-02  1.9856000000e-03 -1.8674000000e-03  1.6510000000e-04 -5.3433000000e-03  1.7384000000e-03  1.3861000000e-03  3.5008000000e-03  3.7286000000e-03  3.8440000000e-03
+
+JOB 74
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2532400000e-01 -2.3867100000e-01 -5.5162000000e-02 -4.3059800000e-01 -5.5707200000e-01 -6.4845100000e-01  2.6951710000e+00 -5.6288200000e-01 -6.5109600000e-01  3.2710540000e+00  1.8835800000e-01 -5.0886500000e-01  3.1773630000e+00 -1.3066890000e+00 -2.8988600000e-01
+ENERGY -1.526614256931e+02
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+
+JOB 75
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5837200000e-01  8.6656200000e-01 -1.9202000000e-01  8.3533400000e-01 -2.3072000000e-02 -4.6681500000e-01 -3.2204700000e-01  2.7509060000e+00 -6.5296400000e-01 -1.2324370000e+00  2.9327620000e+00 -4.1983100000e-01  1.6849600000e-01  3.4945310000e+00 -3.0278900000e-01
+ENERGY -1.526592251548e+02
+FORCES  2.6399000000e-03  1.2086000000e-02 -4.9416000000e-03 -4.5159000000e-03 -7.1824000000e-03  2.1969000000e-03 -1.6245000000e-03 -1.2622000000e-03  1.8174000000e-03  1.3277000000e-03  2.2554000000e-03  3.4293000000e-03  5.3351000000e-03 -3.2643000000e-03 -1.9340000000e-04 -3.1624000000e-03 -2.6323000000e-03 -2.3085000000e-03
+
+JOB 76
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3479000000e-01 -4.5676500000e-01  1.0355200000e-01 -5.8990500000e-01 -6.5841600000e-01 -3.6706000000e-01 -3.8637000000e-01  2.8960170000e+00  1.9815900000e-01 -1.9939800000e-01  1.9721370000e+00  3.1667000000e-02 -1.1593190000e+00  2.8864990000e+00  7.6268600000e-01
+ENERGY -1.526615623533e+02
+FORCES  8.5130000000e-04 -3.1454000000e-03 -1.0622000000e-03 -4.5079000000e-03  1.1541000000e-03 -9.0270000000e-04  3.3674000000e-03  2.1933000000e-03  2.2162000000e-03 -9.7920000000e-04 -1.0017600000e-02  1.2200000000e-03 -5.9610000000e-04  9.4293000000e-03  3.4740000000e-04  1.8646000000e-03  3.8630000000e-04 -1.8186000000e-03
+
+JOB 77
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9898900000e-01  7.5702300000e-01  5.0374000000e-01  3.8150300000e-01  1.2417200000e-01 -8.6906200000e-01  1.4537370000e+00 -2.2301420000e+00  1.3910350000e+00  6.6677700000e-01 -2.7698020000e+00  1.4664860000e+00  1.1271220000e+00 -1.3604120000e+00  1.1605470000e+00
+ENERGY -1.526598044331e+02
+FORCES  1.1654000000e-03  3.7724000000e-03 -4.7138000000e-03  1.0480000000e-04 -6.0629000000e-03 -1.5002000000e-03 -1.9424000000e-03  1.1280000000e-04  4.6308000000e-03 -8.3528000000e-03  4.9704000000e-03 -4.4600000000e-03  2.9887000000e-03  7.2200000000e-04  2.9940000000e-04  6.0363000000e-03 -3.5146000000e-03  5.7437000000e-03
+
+JOB 78
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2571900000e-01  5.1145100000e-01 -3.5774700000e-01 -1.1253800000e-01  5.4952000000e-02  9.4897200000e-01 -3.6334100000e-01  2.4834200000e-01  2.5709790000e+00 -1.2484600000e+00  6.0722900000e-01  2.6341910000e+00  2.0526900000e-01  9.5798000000e-01  2.8698590000e+00
+ENERGY -1.526568951657e+02
+FORCES -4.0329000000e-03  1.9468000000e-03  2.1364500000e-02  1.2416000000e-03 -9.4910000000e-04  3.0370000000e-03  5.6640000000e-04  1.3630000000e-03 -9.8794000000e-03  7.1140000000e-04  2.4243000000e-03 -8.9594000000e-03  5.6855000000e-03 -1.1193000000e-03 -2.6864000000e-03 -4.1720000000e-03 -3.6657000000e-03 -2.8763000000e-03
+
+JOB 79
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9497100000e-01  9.3705800000e-01  1.1838000000e-02  6.7057700000e-01 -9.7079000000e-02 -6.7611700000e-01 -2.0889410000e+00 -1.6068420000e+00 -3.8787000000e-02 -1.3315830000e+00 -1.0214870000e+00 -3.8406000000e-02 -1.7289540000e+00 -2.4651910000e+00  1.8454800000e-01
+ENERGY -1.526594214373e+02
+FORCES -6.9323000000e-03 -3.5178000000e-03 -2.5726000000e-03  1.7501000000e-03 -5.1997000000e-03 -1.1354000000e-03 -3.5165000000e-03  1.2144000000e-03  3.7560000000e-03  1.5930700000e-02  9.9773000000e-03  1.4770000000e-03 -7.6082000000e-03 -5.1278000000e-03 -3.7360000000e-04  3.7630000000e-04  2.6535000000e-03 -1.1515000000e-03
+
+JOB 80
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0640000000e-02 -8.3806700000e-01 -4.6200600000e-01 -6.9190000000e-03 -2.3696800000e-01  9.2737800000e-01 -3.7770200000e-01 -2.7191270000e+00 -3.6382200000e-01  2.7853300000e-01 -3.2942440000e+00  2.9660000000e-02 -4.5732600000e-01 -3.0280180000e+00 -1.2663060000e+00
+ENERGY -1.526585088868e+02
+FORCES -2.9350000000e-03 -1.5398000000e-02  1.6417000000e-03  1.7515000000e-03  7.4890000000e-03 -3.3271000000e-03  1.0103000000e-03  2.0566000000e-03 -1.3546000000e-03  2.1623000000e-03 -5.4410000000e-04  3.5790000000e-04 -3.5861000000e-03  3.0974000000e-03 -2.0442000000e-03  1.5970000000e-03  3.2991000000e-03  4.7262000000e-03
+
+JOB 81
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5429200000e-01  5.8734000000e-01 -4.8025000000e-02  3.6265300000e-01 -8.3197600000e-01  3.0418700000e-01  1.3627590000e+00 -2.2999780000e+00  1.3199900000e+00  1.2471650000e+00 -3.2045750000e+00  1.0291760000e+00  1.1244710000e+00 -2.3135910000e+00  2.2469560000e+00
+ENERGY -1.526618887902e+02
+FORCES  7.2669000000e-03 -5.8357000000e-03  3.4255000000e-03 -2.5256000000e-03 -1.2911000000e-03  1.8800000000e-04 -5.5140000000e-03  7.1905000000e-03 -4.4317000000e-03 -6.4520000000e-04 -4.0164000000e-03  3.7554000000e-03  1.6550000000e-04  4.5320000000e-03  1.8467000000e-03  1.2524000000e-03 -5.7930000000e-04 -4.7840000000e-03
+
+JOB 82
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9890200000e-01 -9.0175900000e-01  2.5199300000e-01 -8.2616700000e-01  1.9599800000e-01  4.4188900000e-01 -2.4497220000e+00  3.2439700000e-01  1.5246060000e+00 -3.1794040000e+00  7.6287100000e-01  1.0869560000e+00 -2.5969870000e+00  4.8563700000e-01  2.4565640000e+00
+ENERGY -1.526615711184e+02
+FORCES -8.1999000000e-03 -1.8188000000e-03  6.6832000000e-03 -2.8300000000e-05  2.5415000000e-03 -6.9170000000e-04  6.9502000000e-03 -2.6040000000e-04 -6.5953000000e-03 -1.6373000000e-03  2.1247000000e-03  2.4526000000e-03  3.7855000000e-03 -1.8696000000e-03  2.6764000000e-03 -8.7030000000e-04 -7.1730000000e-04 -4.5251000000e-03
+
+JOB 83
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+ENERGY -1.526578987703e+02
+FORCES -1.1210800000e-02  1.1701700000e-02  2.2338000000e-03  4.4380000000e-03 -6.0486000000e-03 -3.8560000000e-03  1.0531000000e-03 -2.1919000000e-03 -1.3821000000e-03 -1.6813000000e-03 -1.6489000000e-03  2.2020000000e-04  4.8978000000e-03  1.5933000000e-03 -1.9340000000e-03  2.5032000000e-03 -3.4057000000e-03  4.7181000000e-03
+
+JOB 84
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+ENERGY -1.526595635307e+02
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+
+JOB 85
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+ENERGY -1.526586111924e+02
+FORCES -2.0839000000e-03 -1.9674000000e-03  5.3300000000e-04  3.7678000000e-03 -3.7678000000e-03  2.2716000000e-03 -6.1290000000e-04 -3.0908000000e-03 -6.2570000000e-03  2.7511000000e-03  1.7573000000e-02 -1.8184000000e-03 -3.0532000000e-03 -8.8821000000e-03  3.0402000000e-03 -7.6880000000e-04  1.3500000000e-04  2.2306000000e-03
+
+JOB 86
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+ENERGY -1.526611245272e+02
+FORCES -4.8680000000e-04 -3.1524000000e-03  1.6807000000e-03  9.4140000000e-04  5.6274000000e-03  1.9631000000e-03  2.1950000000e-03 -2.7090000000e-04 -4.9869000000e-03 -1.3499400000e-02 -4.6370000000e-04  4.0960000000e-04  1.0369400000e-02 -2.1260000000e-04 -1.3127000000e-03  4.8040000000e-04 -1.5278000000e-03  2.2461000000e-03
+
+JOB 87
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+ENERGY -1.526617054407e+02
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+
+JOB 88
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+ENERGY -1.526579272963e+02
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+
+JOB 89
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+ENERGY -1.526600820974e+02
+FORCES -5.9543000000e-03 -2.6438000000e-03  4.7828000000e-03 -3.3821000000e-03  1.2394000000e-03 -3.6419000000e-03  1.6186000000e-03  1.3860000000e-03  4.5834000000e-03  1.3192100000e-02  1.9050000000e-04 -8.5766000000e-03  2.6059000000e-03 -2.1915000000e-03 -1.5513000000e-03 -8.0801000000e-03  2.0194000000e-03  4.4036000000e-03
+
+JOB 90
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+ENERGY -1.526595830307e+02
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+JOB 91
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+ENERGY -1.526591443231e+02
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+JOB 92
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+ENERGY -1.526606152092e+02
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+
+JOB 93
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1311000000e-01 -6.3840100000e-01  1.2217000000e-02 -7.7863100000e-01 -5.1401500000e-01 -2.1390200000e-01 -1.6265020000e+00 -2.0910050000e+00 -1.7749420000e+00 -2.5035720000e+00 -2.3925910000e+00 -1.5382430000e+00 -1.6479100000e+00 -2.0157960000e+00 -2.7289420000e+00
+ENERGY -1.526593368357e+02
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+
+JOB 94
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1880800000e-01 -1.2160400000e-01  4.8062200000e-01  6.1774600000e-01 -5.9590900000e-01  4.2369100000e-01  2.2304030000e+00 -1.5751190000e+00  4.0134900000e-01  2.9726150000e+00 -1.1359110000e+00 -1.3921000000e-02  2.4166190000e+00 -1.5262870000e+00  1.3389900000e+00
+ENERGY -1.526589256201e+02
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+
+JOB 95
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7732300000e-01  3.6722100000e-01  1.0810000000e-01  5.7092500000e-01  5.9555500000e-01  4.8537600000e-01  3.2026030000e+00 -2.3753600000e-01 -7.9164800000e-01  3.2357140000e+00 -1.1915000000e+00 -8.6298500000e-01  3.0554940000e+00 -7.1471000000e-02  1.3948700000e-01
+ENERGY -1.526528570541e+02
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+
+JOB 96
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3957000000e-01 -5.9478500000e-01  3.9168000000e-01 -3.2632000000e-02 -2.5589000000e-01 -9.2178500000e-01  6.1114000000e-02  2.0044680000e+00 -2.5789700000e+00  2.1281200000e-01  1.0595430000e+00 -2.5973510000e+00 -8.6404600000e-01  2.0946040000e+00 -2.3505270000e+00
+ENERGY -1.526506190274e+02
+FORCES  3.4992000000e-03 -2.8159000000e-03 -1.5115000000e-03 -2.8475000000e-03  2.7744000000e-03 -1.9133000000e-03 -2.4000000000e-04  2.3459000000e-03  8.2430000000e-04 -3.1951000000e-03 -2.5614000000e-03  3.4028000000e-03 -1.1606000000e-03  9.8600000000e-04  1.3381000000e-03  3.9440000000e-03 -7.2900000000e-04 -2.1404000000e-03
+
+JOB 97
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6156700000e-01  4.7096900000e-01 -5.0670400000e-01 -9.0976000000e-02  3.4151500000e-01  8.8956300000e-01 -5.1731800000e-01  7.6037100000e-01  2.5763350000e+00 -1.4204610000e+00  1.0712410000e+00  2.6389830000e+00  1.2385000000e-02  1.5006820000e+00  2.8722850000e+00
+ENERGY -1.526595405001e+02
+FORCES -4.2742000000e-03  4.9059000000e-03  1.3701400000e-02  1.2681000000e-03 -9.1500000000e-04  2.5296000000e-03  2.7591000000e-03 -9.0350000000e-04 -1.0263700000e-02 -1.6863000000e-03  1.4342000000e-03 -1.7517000000e-03  5.3335000000e-03 -6.8280000000e-04 -1.1594000000e-03 -3.4002000000e-03 -3.8388000000e-03 -3.0562000000e-03
+
+JOB 98
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3865500000e-01 -5.6193800000e-01  2.3419300000e-01 -3.0541100000e-01 -3.4271700000e-01 -8.3994100000e-01  2.0252020000e+00 -2.1576010000e+00  2.6840200000e-01  2.8121080000e+00 -1.7356460000e+00 -7.6511000000e-02  2.2769140000e+00 -2.4574280000e+00  1.1418870000e+00
+ENERGY -1.526608762330e+02
+FORCES  4.9997000000e-03 -9.5582000000e-03 -1.4034000000e-03 -4.2044000000e-03  8.7883000000e-03 -4.5430000000e-04  6.3280000000e-04  1.9530000000e-03  2.0794000000e-03  4.6518000000e-03 -2.3581000000e-03  2.1348000000e-03 -5.2410000000e-03 -9.8570000000e-04  2.2193000000e-03 -8.3890000000e-04  2.1606000000e-03 -4.5757000000e-03
+
+JOB 99
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8838400000e-01  8.7235700000e-01 -3.4602900000e-01  7.6130500000e-01 -2.9670400000e-01 -4.9861100000e-01 -3.3769200000e-01  2.5135170000e+00 -4.0996200000e-01 -1.2244590000e+00  2.6773250000e+00 -8.8960000000e-02  2.1650500000e-01  3.0981580000e+00  1.0704200000e-01
+ENERGY -1.526570002669e+02
+FORCES -9.5720000000e-04  2.1196000000e-02 -5.0127000000e-03 -2.9159000000e-03 -8.3169000000e-03  4.6140000000e-04 -1.5602000000e-03  2.7851000000e-03  1.2374000000e-03  3.8946000000e-03 -1.2238900000e-02  7.2836000000e-03  5.5947000000e-03 -2.1129000000e-03 -1.1951000000e-03 -4.0559000000e-03 -1.3124000000e-03 -2.7747000000e-03
+
+JOB 100
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9367200000e-01  1.9214000000e-01  4.9939900000e-01  8.1400000000e-03 -9.5381000000e-01 -8.0077000000e-02  4.7835000000e-02  7.0249400000e-01 -2.8919810000e+00  2.2418900000e-01 -1.8997700000e-01 -3.1896820000e+00  1.6842000000e-02  6.3542200000e-01 -1.9376370000e+00
+ENERGY -1.526604088055e+02
+FORCES -3.2890000000e-03 -3.4265000000e-03  3.3950000000e-03  3.9893000000e-03 -1.4988000000e-03 -2.6829000000e-03 -3.7720000000e-04  5.0443000000e-03 -8.7770000000e-04  9.3450000000e-04 -4.0068000000e-03  9.1200000000e-03 -7.1460000000e-04  2.2626000000e-03  1.1738000000e-03 -5.4310000000e-04  1.6253000000e-03 -1.0128200000e-02
+
+JOB 101
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3207400000e-01 -3.2421700000e-01  3.4462600000e-01 -1.2755000000e-02 -2.9280000000e-01 -9.1122900000e-01  2.1942300000e-01 -4.6635700000e-01 -2.5600750000e+00  1.1024340000e+00 -8.3388500000e-01 -2.5220540000e+00 -3.0124200000e-01 -1.1378550000e+00 -3.0007910000e+00
+ENERGY -1.526560554559e+02
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+
+JOB 102
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4972000000e-02  8.1988800000e-01  4.9375300000e-01  2.5585300000e-01  2.4985200000e-01 -8.8788800000e-01  2.9851600000e-01  2.6752420000e+00  6.5517200000e-01 -5.2841500000e-01  3.0254730000e+00  3.2387900000e-01  3.3692300000e-01  2.9705390000e+00  1.5648740000e+00
+ENERGY -1.526595059291e+02
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+
+JOB 103
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+ENERGY -1.526594500015e+02
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+
+JOB 104
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+ENERGY -1.526538061292e+02
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+
+JOB 105
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+ENERGY -1.526607256451e+02
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+
+JOB 106
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+ENERGY -1.526616377776e+02
+FORCES -9.9494000000e-03 -1.6319000000e-03  5.7372000000e-03 -8.6800000000e-04  2.6908000000e-03  3.3230000000e-04  9.6441000000e-03 -7.6240000000e-04 -3.4663000000e-03 -1.5041000000e-03  2.8457000000e-03 -6.5740000000e-04  3.4284000000e-03 -1.8457000000e-03  3.0178000000e-03 -7.5100000000e-04 -1.2965000000e-03 -4.9636000000e-03
+
+JOB 107
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+ENERGY -1.526526254689e+02
+FORCES -8.9400000000e-04  2.9563000000e-03  3.7760000000e-03  2.7609000000e-03  1.7740000000e-04  6.4800000000e-05 -2.4926000000e-03 -2.2284000000e-03 -3.2287000000e-03 -4.9717000000e-03 -4.1100000000e-04 -1.0480000000e-03  3.7470000000e-03  1.2321000000e-03 -1.6456000000e-03  1.8505000000e-03 -1.7263000000e-03  2.0816000000e-03
+
+JOB 108
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+ENERGY -1.526598212435e+02
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+
+JOB 109
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+ENERGY -1.526617735620e+02
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+
+JOB 110
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+ENERGY -1.526526614228e+02
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+
+JOB 111
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+ENERGY -1.526608140155e+02
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+
+JOB 112
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+ENERGY -1.526597905840e+02
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+
+JOB 113
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+ENERGY -1.526583022234e+02
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+
+JOB 114
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+ENERGY -1.526609815677e+02
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+
+JOB 115
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+JOB 116
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+JOB 117
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+JOB 118
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+JOB 119
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+JOB 120
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+JOB 121
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+JOB 122
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+JOB 123
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+JOB 124
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+JOB 125
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+JOB 126
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+JOB 127
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+JOB 128
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+JOB 129
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+JOB 130
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+JOB 131
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+JOB 132
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+JOB 133
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+JOB 134
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+JOB 135
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+JOB 136
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+
+JOB 137
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+JOB 138
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+JOB 139
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+JOB 140
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+JOB 141
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+JOB 142
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+JOB 143
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+JOB 144
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+JOB 145
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+JOB 146
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+JOB 147
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+JOB 148
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+JOB 149
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+JOB 150
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+JOB 151
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+JOB 152
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+JOB 153
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+JOB 154
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+JOB 155
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+JOB 156
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+JOB 157
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+JOB 158
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+
+JOB 159
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+
+JOB 160
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+ENERGY -1.526561374006e+02
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+
+JOB 161
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9708000000e-02 -8.7424800000e-01 -3.8348700000e-01 -1.9785300000e-01 -1.2839400000e-01  9.2768600000e-01  2.5173370000e+00  1.2607560000e+00 -3.9632700000e-01  1.7555440000e+00  8.6270000000e-01  2.4925000000e-02  2.2267160000e+00  1.4498450000e+00 -1.2885250000e+00
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+
+JOB 162
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8842200000e-01  1.6043200000e-01  3.1811900000e-01  5.2444200000e-01  6.9948400000e-01  3.8976100000e-01  4.2123900000e-01 -8.1618000000e-01 -2.5963130000e+00 -3.5252300000e-01 -3.7178100000e-01 -2.9427710000e+00  4.7886600000e-01 -5.2364100000e-01 -1.6867350000e+00
+ENERGY -1.526596191145e+02
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+
+JOB 163
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2511100000e-01 -3.3153900000e-01  3.5426800000e-01 -1.9657000000e-01  2.0543000000e-01 -9.1399700000e-01 -2.4238440000e+00 -1.1598500000e+00  2.7640000000e-01 -2.4709660000e+00 -2.0615190000e+00 -4.1412000000e-02 -2.6231740000e+00 -1.2238820000e+00  1.2104230000e+00
+ENERGY -1.526583118558e+02
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+
+JOB 164
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+ENERGY -1.526582153038e+02
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+
+JOB 165
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+ENERGY -1.526622426187e+02
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+
+JOB 166
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+
+JOB 167
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+
+JOB 168
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+JOB 169
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+JOB 170
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+JOB 171
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+JOB 172
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+JOB 173
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+JOB 174
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+JOB 175
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+JOB 176
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+ENERGY -1.526602833680e+02
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+JOB 177
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+JOB 178
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+JOB 179
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+JOB 180
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+
+JOB 181
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+
+JOB 182
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+
+JOB 183
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+
+JOB 184
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+
+JOB 185
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+
+JOB 186
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+
+JOB 187
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+
+JOB 188
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+JOB 189
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+JOB 190
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+JOB 191
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+JOB 192
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+JOB 193
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+JOB 194
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+JOB 195
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+JOB 196
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+JOB 197
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+JOB 198
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+JOB 199
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+JOB 200
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+JOB 201
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+JOB 202
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+
+JOB 203
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+
+JOB 204
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+
+JOB 205
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+
+JOB 206
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+
+JOB 207
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+
+JOB 208
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+ENERGY -1.526599446492e+02
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+
+JOB 209
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+
+JOB 210
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+
+JOB 211
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+
+JOB 212
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+
+JOB 213
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+
+JOB 214
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+
+JOB 215
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+
+JOB 216
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+
+JOB 217
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+JOB 218
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+JOB 219
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+JOB 220
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+JOB 221
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+JOB 222
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+JOB 223
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+JOB 224
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+JOB 225
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+JOB 226
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+JOB 227
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+JOB 228
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+JOB 229
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+JOB 230
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+JOB 231
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+JOB 232
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+JOB 233
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+JOB 234
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+JOB 235
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+JOB 236
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+JOB 238
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+JOB 239
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+JOB 241
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+
+JOB 247
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8040300000e-01  7.4499000000e-02  9.1217100000e-01  9.5525000000e-01  4.7889000000e-02  3.7900000000e-02 -1.0374240000e+00  2.2084610000e+00 -1.4735260000e+00 -7.3599000000e-01  1.3590730000e+00 -1.1511770000e+00 -2.3904300000e-01  2.7293180000e+00 -1.5602840000e+00
+ENERGY -1.526604522642e+02
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+
+JOB 248
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4900400000e-01 -8.8616500000e-01 -3.2976000000e-01 -3.1352300000e-01 -2.4479000000e-02  9.0406600000e-01  2.8291620000e+00  7.0235100000e-01 -3.9813400000e-01  2.5655830000e+00  9.1521900000e-01 -1.2933690000e+00  2.0278150000e+00  3.8635300000e-01  1.9263000000e-02
+ENERGY -1.526603756875e+02
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+
+JOB 249
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6966000000e-01 -3.8019000000e-01  1.2401400000e-01 -5.6224300000e-01 -7.4782600000e-01 -2.0216300000e-01 -5.7851000000e-01  1.0113420000e+00  2.7528490000e+00  2.3879000000e-02  3.6444200000e-01  3.1201090000e+00 -6.3026200000e-01  7.9033100000e-01  1.8229530000e+00
+ENERGY -1.526599063416e+02
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+
+JOB 250
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4508200000e-01 -9.0691100000e-01 -1.8351700000e-01 -6.0100000000e-02  7.6852000000e-02  9.5221500000e-01 -1.3297080000e+00  1.9550290000e+00 -1.5306620000e+00 -6.8394200000e-01  2.5465220000e+00 -1.1441990000e+00 -1.0587770000e+00  1.0831090000e+00 -1.2432870000e+00
+ENERGY -1.526591417419e+02
+FORCES -2.0707000000e-03  3.3010000000e-04  3.3231000000e-03 -1.9920000000e-04  5.7422000000e-03  2.5700000000e-04  9.4860000000e-04 -1.0940000000e-03 -4.6120000000e-03  9.1961000000e-03 -7.0867000000e-03  8.4257000000e-03 -2.5624000000e-03  2.8010000000e-04 -1.1738000000e-03 -5.3124000000e-03  1.8284000000e-03 -6.2201000000e-03
+
+JOB 251
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9443600000e-01 -3.3020400000e-01  8.4745000000e-02  3.5226000000e-02  3.7434800000e-01 -8.8025800000e-01  2.1008730000e+00 -2.0834170000e+00  3.1904900000e-01  1.3713870000e+00 -1.5461340000e+00  1.0165000000e-02  2.2162560000e+00 -1.8281130000e+00  1.2343300000e+00
+ENERGY -1.526609832160e+02
+FORCES -4.3218000000e-03  2.4914000000e-03 -2.3337000000e-03  4.9925000000e-03  1.2818000000e-03 -8.0380000000e-04 -1.5370000000e-04 -3.1557000000e-03  4.4269000000e-03 -6.6915000000e-03  8.5544000000e-03  2.3765000000e-03  5.8226000000e-03 -7.3406000000e-03 -1.3889000000e-03  3.5200000000e-04 -1.8313000000e-03 -2.2770000000e-03
+
+JOB 252
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6072400000e-01  4.0194300000e-01 -1.1759400000e-01  6.6986000000e-02 -4.7214200000e-01  8.2995600000e-01  1.6632190000e+00 -2.6155220000e+00  7.0205600000e-01  7.3602400000e-01 -2.6495590000e+00  9.3739100000e-01  1.9751740000e+00 -3.5120250000e+00  8.2533900000e-01
+ENERGY -1.526542245807e+02
+FORCES  7.3287000000e-03 -1.1701000000e-03  2.3240000000e-03 -4.3870000000e-03  3.1450000000e-04  1.5970000000e-04 -2.5469000000e-03 -6.8070000000e-04 -2.7007000000e-03 -2.8623000000e-03 -4.9557000000e-03 -1.0510000000e-04  3.9643000000e-03  2.5220000000e-03  1.2477000000e-03 -1.4968000000e-03  3.9700000000e-03 -9.2560000000e-04
+
+JOB 253
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4389200000e-01 -8.1908700000e-01  2.1974700000e-01 -9.3223800000e-01 -2.0803300000e-01  6.2343000000e-02  7.7550600000e-01  2.8315500000e-01  3.5664900000e+00  7.9176100000e-01 -6.6980500000e-01  3.4779780000e+00  5.5252300000e-01  4.3510600000e-01  4.4848700000e+00
+ENERGY -1.526522088796e+02
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+
+JOB 254
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5014700000e-01  9.6328000000e-02  6.4605000000e-02 -1.4706800000e-01 -3.4290900000e-01 -8.8148500000e-01 -4.7449100000e-01  1.8105060000e+00  3.3051760000e+00 -1.0268730000e+00  2.0811280000e+00  4.0385710000e+00 -2.7845600000e-01  8.8991700000e-01  3.4793000000e+00
+ENERGY -1.526537965794e+02
+FORCES  3.3003000000e-03  4.3600000000e-05 -3.6734000000e-03 -3.8771000000e-03 -1.1644000000e-03 -1.3080000000e-04  5.4040000000e-04  1.4046000000e-03  3.6747000000e-03 -2.0941000000e-03 -3.4695000000e-03  2.6615000000e-03  2.2093000000e-03 -9.7680000000e-04 -2.9690000000e-03 -7.8800000000e-05  4.1625000000e-03  4.3690000000e-04
+
+JOB 255
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4122100000e-01  4.0831400000e-01 -2.0459300000e-01  1.8322800000e-01  2.6633700000e-01  9.0095700000e-01 -3.3381900000e-01 -2.7768230000e+00 -6.1679300000e-01 -1.9513200000e-01 -1.8644230000e+00 -3.6277800000e-01 -3.4323400000e-01 -2.7607260000e+00 -1.5738110000e+00
+ENERGY -1.526616331402e+02
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+
+JOB 256
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5727000000e-02 -8.9104500000e-01 -3.4520300000e-01 -1.1081600000e-01 -1.1477100000e-01  9.4381100000e-01 -1.1479010000e+00  1.8244720000e+00 -2.1757780000e+00 -4.1193700000e-01  2.4325460000e+00 -2.2453040000e+00 -8.6953300000e-01  1.1847110000e+00 -1.5204530000e+00
+ENERGY -1.526613115873e+02
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+
+JOB 257
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7041900000e-01 -9.3323400000e-01  1.2753100000e-01 -8.9447100000e-01  1.2607900000e-01  3.1663500000e-01  1.7663700000e-01  6.4264900000e-01 -2.5654170000e+00  3.1709400000e-01 -2.7173200000e-01 -2.8112010000e+00 -5.1270000000e-03  6.1346300000e-01 -1.6260860000e+00
+ENERGY -1.526567981949e+02
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+
+JOB 258
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0027100000e-01 -2.1220500000e-01 -2.4640000000e-01 -5.4004300000e-01 -5.5293400000e-01 -5.6466700000e-01  1.7108480000e+00 -6.9994500000e-01  2.4732520000e+00  2.3991520000e+00 -2.3320700000e-01  1.9993050000e+00  2.1379250000e+00 -1.0117090000e+00  3.2711500000e+00
+ENERGY -1.526513650702e+02
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+
+JOB 259
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+ENERGY -1.526597747852e+02
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+
+JOB 260
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+ENERGY -1.526593342087e+02
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+
+JOB 261
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+ENERGY -1.526529980505e+02
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+
+JOB 262
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+ENERGY -1.526567947338e+02
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+
+JOB 263
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+ENERGY -1.526601974118e+02
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+
+JOB 264
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+ENERGY -1.526602068115e+02
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+
+JOB 265
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+ENERGY -1.526587338565e+02
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+
+JOB 266
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+ENERGY -1.526612865775e+02
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+JOB 267
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+ENERGY -1.526609333347e+02
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+JOB 268
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+JOB 269
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+JOB 270
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+JOB 271
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+JOB 272
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+JOB 273
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+JOB 274
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+JOB 275
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+JOB 276
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+JOB 277
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+JOB 278
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+JOB 279
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+JOB 280
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+JOB 281
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+JOB 282
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+JOB 283
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+JOB 284
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+JOB 285
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+JOB 286
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+JOB 287
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+JOB 288
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+JOB 289
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+JOB 290
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+JOB 291
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+
+JOB 292
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+JOB 293
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+JOB 294
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+JOB 295
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+JOB 296
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+JOB 297
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+JOB 298
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+JOB 299
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+JOB 300
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+JOB 301
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+JOB 302
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+JOB 303
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+JOB 304
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+JOB 305
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+JOB 306
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+JOB 307
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+JOB 308
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+JOB 309
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+JOB 310
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+JOB 311
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+JOB 312
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+JOB 318
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+JOB 319
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+JOB 321
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+
+JOB 335
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+ENERGY -1.526602094241e+02
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+
+JOB 336
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+ENERGY -1.526550627766e+02
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+
+JOB 337
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+ENERGY -1.526593877114e+02
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+
+JOB 338
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+ENERGY -1.526612169883e+02
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+
+JOB 339
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5620900000e-01  6.7570800000e-01  3.8766200000e-01 -8.6961600000e-01  3.9811600000e-01 -3.8789000000e-02  1.3251900000e+00  2.1859620000e+00  1.0937850000e+00  2.0303620000e+00  2.6196100000e+00  6.1325000000e-01  1.6510240000e+00  2.1211420000e+00  1.9914840000e+00
+ENERGY -1.526615474411e+02
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+
+JOB 340
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9642400000e-01 -2.1592900000e-01  6.2016100000e-01  3.2597500000e-01  7.6810000000e-01 -4.6903500000e-01 -2.0547930000e+00 -1.7702220000e+00  1.2599600000e-01 -2.8360740000e+00 -1.4009520000e+00  5.3766600000e-01 -1.4058070000e+00 -1.0679870000e+00  1.6974500000e-01
+ENERGY -1.526603328885e+02
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+
+JOB 341
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0896800000e-01  5.7702300000e-01 -4.6090600000e-01  7.0036600000e-01  5.7990500000e-01  2.9904900000e-01 -1.8057740000e+00  1.6938500000e+00 -1.6986750000e+00 -1.2728950000e+00  2.4862610000e+00 -1.7646900000e+00 -2.1081120000e+00  1.5328090000e+00 -2.5924810000e+00
+ENERGY -1.526601407360e+02
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+
+JOB 342
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+ENERGY -1.526531669743e+02
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+
+JOB 343
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1206700000e-01  8.6970600000e-01  3.8377700000e-01  2.2133000000e-02  1.5006600000e-01 -9.4510400000e-01 -4.3702000000e-02  2.7166970000e+00  6.0937600000e-01 -8.3646400000e-01  3.1311180000e+00  2.6876600000e-01 -9.9628000000e-02  2.8347640000e+00  1.5576190000e+00
+ENERGY -1.526599061190e+02
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+
+JOB 344
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+ENERGY -1.526595904026e+02
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+
+JOB 345
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+
+JOB 346
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+JOB 347
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+ENERGY -1.526608724437e+02
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+
+JOB 348
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+
+JOB 349
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+ENERGY -1.526529980012e+02
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+
+JOB 350
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+ENERGY -1.526590400745e+02
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+JOB 351
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+JOB 352
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+JOB 353
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+ENERGY -1.526580386855e+02
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+JOB 354
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+ENERGY -1.526573151609e+02
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+JOB 355
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+JOB 356
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+
+JOB 357
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+
+JOB 358
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+JOB 359
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+JOB 360
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+
+JOB 361
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+JOB 362
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+JOB 363
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+JOB 364
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+
+JOB 365
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+JOB 366
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+JOB 367
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+JOB 368
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+JOB 369
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+JOB 370
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+JOB 371
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+JOB 372
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+JOB 373
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+JOB 374
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+JOB 375
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+JOB 376
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+JOB 377
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+JOB 378
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+JOB 379
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+JOB 380
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+JOB 381
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+JOB 382
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+JOB 383
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+JOB 384
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+JOB 385
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+JOB 386
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+JOB 387
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+JOB 388
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+JOB 389
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+JOB 390
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+JOB 391
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+JOB 392
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+JOB 393
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+JOB 394
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+JOB 395
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+JOB 396
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+JOB 401
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+JOB 402
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+JOB 403
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+JOB 404
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+JOB 405
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+JOB 406
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+JOB 407
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+JOB 408
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+JOB 409
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+JOB 410
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+JOB 411
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+JOB 412
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+JOB 413
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+JOB 414
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+JOB 415
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+JOB 416
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+JOB 417
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+JOB 419
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+JOB 420
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+JOB 423
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+JOB 424
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+JOB 425
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+JOB 426
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+JOB 427
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+JOB 428
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+JOB 429
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+JOB 430
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+JOB 431
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+JOB 432
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+JOB 433
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+JOB 434
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+JOB 435
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+JOB 436
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+JOB 437
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+JOB 438
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+JOB 439
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+JOB 440
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+JOB 450
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+JOB 453
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+
+JOB 489
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+JOB 490
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+JOB 491
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+JOB 492
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+
+JOB 493
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+JOB 494
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+JOB 495
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+JOB 496
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+JOB 497
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+JOB 498
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+JOB 499
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+JOB 500
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+JOB 501
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+JOB 502
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+JOB 503
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+JOB 504
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+JOB 505
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+JOB 506
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+JOB 507
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+JOB 508
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+JOB 509
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+JOB 510
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+JOB 511
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+JOB 512
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+JOB 513
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+JOB 514
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+JOB 515
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+JOB 516
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+JOB 517
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+JOB 518
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+JOB 519
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+JOB 520
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+JOB 521
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+JOB 522
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+JOB 523
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+JOB 524
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+JOB 525
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+JOB 526
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+JOB 527
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+JOB 530
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+JOB 555
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+JOB 556
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+JOB 557
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+JOB 558
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+JOB 559
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+JOB 560
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+JOB 561
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+JOB 565
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+JOB 577
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+JOB 578
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+JOB 579
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+JOB 580
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+JOB 581
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+JOB 582
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+JOB 583
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+JOB 584
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+JOB 585
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+JOB 586
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+JOB 587
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+JOB 588
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+JOB 589
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+JOB 590
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+JOB 591
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+JOB 592
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+JOB 593
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+JOB 594
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+JOB 595
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+JOB 596
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+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3060000000e-03  9.7439000000e-02 -9.5222500000e-01 -9.0109900000e-01  1.8780700000e-01  2.6264100000e-01 -1.9340080000e+00  1.8017780000e+00  9.5511000000e-01 -2.7777850000e+00  1.8220820000e+00  5.0360200000e-01 -1.4545640000e+00  2.5510390000e+00  6.0159200000e-01
+ENERGY -1.526578504594e+02
+FORCES -9.1476000000e-03  6.0528000000e-03  1.9220000000e-03 -4.7590000000e-04  8.3480000000e-04  3.3265000000e-03  4.6797000000e-03 -6.4564000000e-03 -4.5839000000e-03  3.4135000000e-03  4.6512000000e-03 -2.4631000000e-03  5.5675000000e-03 -1.9785000000e-03  7.2030000000e-04 -4.0372000000e-03 -3.1040000000e-03  1.0782000000e-03
+
+JOB 599
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3838700000e-01 -9.4242100000e-01  9.4466000000e-02 -3.5188700000e-01  2.0868100000e-01 -8.6536700000e-01 -6.0011900000e-01  1.4085140000e+00 -2.2249430000e+00 -9.1613500000e-01  9.1187200000e-01 -2.9797360000e+00  3.4643200000e-01  1.4664360000e+00 -2.3550130000e+00
+ENERGY -1.526584527236e+02
+FORCES -5.5986000000e-03  5.9468000000e-03 -1.0222200000e-02 -4.6650000000e-04  3.5897000000e-03 -2.8738000000e-03  5.7993000000e-03 -7.7637000000e-03  6.0506000000e-03  4.2252000000e-03  5.2900000000e-04 -2.7590000000e-04  2.3004000000e-03  4.7600000000e-04  5.9768000000e-03 -6.2599000000e-03 -2.7778000000e-03  1.3445000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2819900000e-01  1.0330700000e-01 -2.0977800000e-01 -4.5010900000e-01  1.2359400000e-01 -8.3567800000e-01 -1.9105010000e+00  5.2168300000e-01 -1.9574890000e+00 -2.0027430000e+00  1.4705620000e+00 -1.8717480000e+00 -2.7156650000e+00  1.6723200000e-01 -1.5802540000e+00
+ENERGY -1.526614349287e+02
+FORCES -5.9877000000e-03  1.0945000000e-03 -9.6057000000e-03 -3.7620000000e-03  5.4250000000e-04 -8.9810000000e-04  8.2435000000e-03 -6.5620000000e-04  7.9203000000e-03 -3.2894000000e-03  1.5079000000e-03  4.9320000000e-03  1.0172000000e-03 -5.0972000000e-03 -1.2760000000e-04  3.7785000000e-03  2.6086000000e-03 -2.2209000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5939800000e-01 -6.1428600000e-01 -6.8672900000e-01 -6.3326200000e-01 -1.4461000000e-01  7.0306400000e-01 -4.2867900000e-01 -2.0286010000e+00 -1.7632350000e+00 -1.3464270000e+00 -2.2811840000e+00 -1.8640930000e+00 -8.8816000000e-02 -1.9969220000e+00 -2.6575060000e+00
+ENERGY -1.526595739129e+02
+FORCES -2.9335000000e-03 -1.2149800000e-02 -8.1063000000e-03 -5.1750000000e-04  8.2217000000e-03  6.0220000000e-03  9.9420000000e-04 -4.1060000000e-04 -2.8448000000e-03  3.5810000000e-04  2.3765000000e-03 -6.4030000000e-04  4.9413000000e-03  2.4518000000e-03  9.9670000000e-04 -2.8427000000e-03 -4.8960000000e-04  4.5727000000e-03
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4472400000e-01  7.4402300000e-01 -5.5024700000e-01  4.4600000000e-01  1.5968400000e-01  8.3175500000e-01  1.9917800000e-01  1.8200650000e+00 -2.0420710000e+00  1.1310410000e+00  1.7202370000e+00 -2.2367420000e+00 -2.4229800000e-01  1.5995590000e+00 -2.8622590000e+00
+ENERGY -1.526590481387e+02
+FORCES -4.6250000000e-04  9.1478000000e-03 -7.5592000000e-03  4.8310000000e-03 -6.1652000000e-03  7.7854000000e-03 -4.5140000000e-04  1.1809000000e-03 -4.1753000000e-03 -2.1516000000e-03 -5.2082000000e-03 -2.7308000000e-03 -5.2730000000e-03 -1.1525000000e-03  3.8118000000e-03  3.5076000000e-03  2.1972000000e-03  2.8681000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8665700000e-01  7.2824200000e-01  5.9249900000e-01  9.5360800000e-01 -8.1785000000e-02  1.3235000000e-02  5.2304300000e-01  3.1616770000e+00 -1.1281650000e+00  5.2999500000e-01  2.6039000000e+00 -1.9060260000e+00  1.1524340000e+00  2.7528460000e+00 -5.3406400000e-01
+ENERGY -1.526542068290e+02
+FORCES  1.3756000000e-03  2.7740000000e-03  3.2545000000e-03  2.2928000000e-03 -3.7999000000e-03 -2.1373000000e-03 -3.7698000000e-03  1.8207000000e-03 -8.7940000000e-04  1.8024000000e-03 -5.7719000000e-03 -2.1860000000e-03  8.7410000000e-04  3.6899000000e-03  2.6961000000e-03 -2.5751000000e-03  1.2873000000e-03 -7.4790000000e-04
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2428700000e-01  3.9240100000e-01 -4.8750600000e-01 -7.5894700000e-01  1.0192400000e-01 -5.7432000000e-01  1.8122500000e-01  2.2040790000e+00  1.6586760000e+00 -3.7934600000e-01  2.2601280000e+00  2.4325310000e+00 -1.8785000000e-02  1.3485040000e+00  1.2789130000e+00
+ENERGY -1.526612975180e+02
+FORCES  9.6360000000e-04  4.0803000000e-03 -4.1792000000e-03 -4.9176000000e-03 -1.5469000000e-03  3.4477000000e-03  3.9101000000e-03  7.2200000000e-05  3.3571000000e-03 -2.3832000000e-03 -1.1043000000e-02 -4.5305000000e-03  8.2630000000e-04 -1.6037000000e-03 -3.2283000000e-03  1.6008000000e-03  1.0041000000e-02  5.1332000000e-03
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9598400000e-01  8.6601100000e-01 -3.5755700000e-01 -7.8441400000e-01  1.3208800000e-01  5.3242700000e-01  1.9094180000e+00 -4.5176500000e-01  1.7825220000e+00  2.7803210000e+00 -4.6738700000e-01  1.3856400000e+00  1.3073340000e+00 -5.3950200000e-01  1.0435840000e+00
+ENERGY -1.526591745598e+02
+FORCES  4.5338000000e-03  4.1440000000e-03  8.0420000000e-03 -1.3676000000e-03 -4.3395000000e-03  1.5581000000e-03  4.2258000000e-03 -1.4790000000e-04 -3.1021000000e-03 -1.0952500000e-02  1.4971000000e-03 -1.2699300000e-02 -3.6660000000e-03  1.0345000000e-03 -6.2350000000e-04  7.2265000000e-03 -2.1882000000e-03  6.8247000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7056000000e-02  9.4268900000e-01 -1.4138600000e-01 -6.4359700000e-01 -2.0122600000e-01  6.7935500000e-01 -1.3295800000e-01  2.7734280000e+00 -3.0558600000e-01 -8.2119100000e-01  3.0624300000e+00  2.9361800000e-01 -2.3627400000e-01  3.3311610000e+00 -1.0766190000e+00
+ENERGY -1.526599765307e+02
+FORCES -1.2964000000e-03  1.1965300000e-02 -7.5230000000e-04 -1.3561000000e-03 -9.8884000000e-03  3.1790000000e-03  1.5374000000e-03  2.0961000000e-03 -1.8937000000e-03 -1.7928000000e-03  4.5820000000e-04 -1.8651000000e-03  3.0971000000e-03 -2.9906000000e-03 -3.4557000000e-03 -1.8920000000e-04 -1.6407000000e-03  4.7877000000e-03
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4750300000e-01  4.0931300000e-01 -1.7445000000e-01  4.7283200000e-01  6.4144000000e-02 -8.2978700000e-01 -1.1781400000e-01 -2.7114280000e+00 -1.0457400000e-01  1.5227000000e-02 -1.7775170000e+00  5.7726000000e-02  3.7055500000e-01 -2.8872020000e+00 -9.0883300000e-01
+ENERGY -1.526581882574e+02
+FORCES -4.1636000000e-03 -3.1639000000e-03 -3.8744000000e-03  5.1481000000e-03 -1.4759000000e-03  6.5400000000e-05 -2.9428000000e-03 -3.6523000000e-03  4.4763000000e-03  1.4909000000e-03  1.5583800000e-02  5.8380000000e-04  1.7684000000e-03 -9.8488000000e-03 -3.2215000000e-03 -1.3010000000e-03  2.5570000000e-03  1.9703000000e-03
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7400900000e-01  2.5328000000e-01  2.9696600000e-01 -9.3459000000e-02 -9.1378600000e-01 -2.6924500000e-01  1.8282980000e+00  3.0284700000e-01  1.9577630000e+00  1.9127530000e+00  1.2528840000e+00  2.0385700000e+00  1.1896840000e+00  1.7752500000e-01  1.2558380000e+00
+ENERGY -1.526603554983e+02
+FORCES  8.1750000000e-04 -1.6961000000e-03  4.6478000000e-03  4.9241000000e-03 -1.6793000000e-03 -1.4765000000e-03 -7.4400000000e-05  5.1652000000e-03  2.3370000000e-03 -1.0607000000e-02  5.1420000000e-04 -1.3086900000e-02 -1.4371000000e-03 -2.4200000000e-03 -5.0420000000e-04  6.3770000000e-03  1.1610000000e-04  8.0827000000e-03
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3395200000e-01 -7.1981600000e-01 -5.8597200000e-01 -4.3563900000e-01 -2.1143100000e-01  8.2568000000e-01 -5.2794400000e-01 -1.8501750000e+00 -2.1985910000e+00 -1.4720640000e+00 -1.8011550000e+00 -2.0486970000e+00 -2.7056400000e-01 -2.6966130000e+00 -1.8331730000e+00
+ENERGY -1.526585017524e+02
+FORCES -1.5172000000e-03 -6.2439000000e-03 -5.8488000000e-03 -1.3430000000e-03  4.6068000000e-03  1.0074600000e-02  8.2520000000e-04 -6.5600000000e-04 -4.0367000000e-03 -2.6438000000e-03 -4.4308000000e-03 -2.5811000000e-03  6.4599000000e-03  7.2990000000e-04  2.3351000000e-03 -1.7811000000e-03  5.9940000000e-03  5.6900000000e-05
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3920900000e-01 -7.0964000000e-02 -1.7053400000e-01 -3.9612700000e-01 -6.7169500000e-01 -5.5510400000e-01  2.5600340000e+00  3.8200500000e-01 -3.0014400000e-01  2.8503830000e+00  1.0604950000e+00 -9.0971900000e-01  3.0356970000e+00  5.6734600000e-01  5.0956200000e-01
+ENERGY -1.526591747625e+02
+FORCES  1.7224200000e-02  1.7855000000e-03 -2.4527000000e-03 -8.8152000000e-03 -3.1795000000e-03  1.1270000000e-03  3.5554000000e-03  2.0967000000e-03  5.4440000000e-04 -1.0434800000e-02  2.4717000000e-03  1.8398000000e-03  1.7590000000e-04 -3.1868000000e-03  3.8202000000e-03 -1.7056000000e-03  1.2400000000e-05 -4.8787000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1327000000e-02 -6.0943800000e-01 -7.3244600000e-01 -6.1359400000e-01 -3.2372700000e-01  6.5949600000e-01 -4.0899800000e-01 -1.5877830000e+00 -2.1257000000e+00 -1.3300210000e+00 -1.3478220000e+00 -2.0238730000e+00 -1.1787700000e-01 -1.1006100000e+00 -2.8965060000e+00
+ENERGY -1.526578824146e+02
+FORCES -8.1650000000e-04 -1.2620400000e-02 -1.1703800000e-02 -4.0205000000e-03  7.9920000000e-03  6.7866000000e-03  5.7020000000e-04  1.3470000000e-04 -3.8607000000e-03 -8.0820000000e-04  6.1220000000e-03  4.2960000000e-04  7.1840000000e-03  5.6710000000e-04  3.2836000000e-03 -2.1090000000e-03 -2.1955000000e-03  5.0648000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6791200000e-01  3.0001200000e-01 -7.0971800000e-01 -1.8281100000e-01  5.9957600000e-01  7.2340900000e-01 -1.8720440000e+00  6.6904800000e-01 -1.7382620000e+00 -2.6811590000e+00  3.3266000000e-01 -1.3530250000e+00 -1.7289430000e+00  1.2269300000e-01 -2.5110820000e+00
+ENERGY -1.526587727694e+02
+FORCES -1.3928900000e-02  7.9782000000e-03 -1.1803400000e-02  7.4205000000e-03 -4.4230000000e-03  4.5156000000e-03 -8.2060000000e-04 -1.7176000000e-03 -2.0820000000e-03  2.9001000000e-03 -5.9042000000e-03  6.0122000000e-03  4.4296000000e-03  1.7887000000e-03 -2.4729000000e-03 -7.0000000000e-07  2.2778000000e-03  5.8305000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0151800000e-01 -9.2951400000e-01  1.0782600000e-01 -9.1800000000e-02  3.6894100000e-01  8.7845700000e-01 -3.7374340000e+00 -2.8101900000e-01 -4.5228100000e-01 -3.4871150000e+00 -1.0467050000e+00  6.4727000000e-02 -2.9775210000e+00 -1.0776100000e-01 -1.0079300000e+00
+ENERGY -1.526553337817e+02
+FORCES  5.0350000000e-04 -1.5078000000e-03  5.3217000000e-03 -5.9290000000e-04  4.0490000000e-03 -1.0588000000e-03  6.0390000000e-04 -2.0355000000e-03 -3.9033000000e-03  5.0929000000e-03 -1.4839000000e-03 -7.4780000000e-04 -7.2500000000e-04  2.7033000000e-03 -1.6197000000e-03 -4.8824000000e-03 -1.7251000000e-03  2.0079000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5314700000e-01  9.3038300000e-01 -1.6481900000e-01 -3.7713100000e-01 -4.4357600000e-01 -7.5976600000e-01 -3.3275200000e-01  2.7504230000e+00 -2.8319700000e-01  4.7089500000e-01  2.9992100000e+00  1.7340700000e-01 -1.0105230000e+00  2.7768890000e+00  3.9219800000e-01
+ENERGY -1.526608465585e+02
+FORCES -2.1744000000e-03  1.2397100000e-02 -5.3877000000e-03  5.8150000000e-04 -1.0036600000e-02  5.0691000000e-03  6.3920000000e-04  2.1382000000e-03  2.1637000000e-03  1.2968000000e-03  1.3092000000e-03  4.3840000000e-03 -5.0253000000e-03 -2.9766000000e-03 -2.1789000000e-03  4.6822000000e-03 -2.8313000000e-03 -4.0501000000e-03
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7704400000e-01 -5.8875900000e-01 -7.3365500000e-01 -8.5405800000e-01  1.3557700000e-01  4.1041000000e-01  3.1206600000e-01 -1.7911230000e+00 -1.9570820000e+00  1.9725500000e-01 -2.6696950000e+00 -1.5949200000e+00 -2.8015200000e-01 -1.7620230000e+00 -2.7085230000e+00
+ENERGY -1.526585705723e+02
+FORCES  1.0891000000e-03 -9.3862000000e-03 -1.0964400000e-02 -4.5376000000e-03  6.7340000000e-03  7.7069000000e-03  2.2144000000e-03 -2.4090000000e-03 -3.1670000000e-03  6.4800000000e-05 -8.2060000000e-04  2.7143000000e-03 -7.7560000000e-04  5.3140000000e-03 -2.2373000000e-03  1.9449000000e-03  5.6780000000e-04  5.9474000000e-03
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0024400000e-01 -1.5320000000e-02 -7.4545600000e-01 -5.5603700000e-01  2.0507900000e-01  7.5166300000e-01 -1.9404210000e+00  3.0532400000e-01 -1.9123210000e+00 -1.8695910000e+00  1.2576030000e+00 -1.9785000000e+00 -2.8110300000e+00  1.5443400000e-01 -1.5442130000e+00
+ENERGY -1.526593529535e+02
+FORCES -1.2807500000e-02  5.4170000000e-04 -9.2369000000e-03  7.5684000000e-03  1.1455000000e-03  6.5829000000e-03  9.2380000000e-04 -1.5930000000e-04 -2.3153000000e-03 -4.6020000000e-04  2.5043000000e-03  3.9221000000e-03 -2.2990000000e-04 -5.7985000000e-03  1.9924000000e-03  5.0054000000e-03  1.7663000000e-03 -9.4510000000e-04
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0648000000e-02  8.1264800000e-01 -5.0568900000e-01  2.9792500000e-01 -6.6500400000e-01 -6.2067900000e-01  6.0450100000e-01 -1.7001610000e+00 -2.1827490000e+00  3.0627600000e-01 -1.4274750000e+00 -3.0504680000e+00  3.4995900000e-01 -2.6207480000e+00 -2.1198310000e+00
+ENERGY -1.526605134311e+02
+FORCES  3.2205000000e-03 -5.0274000000e-03 -1.1356500000e-02 -3.3680000000e-04 -1.9533000000e-03  1.2278000000e-03 -1.7177000000e-03  4.0653000000e-03  8.3998000000e-03 -3.6190000000e-03  5.2200000000e-05 -1.4203000000e-03  1.4748000000e-03 -2.0202000000e-03  3.8448000000e-03  9.7820000000e-04  4.8835000000e-03 -6.9560000000e-04
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0694000000e-02  9.5482500000e-01 -2.9283000000e-02 -6.1866500000e-01 -1.7954600000e-01  7.0798900000e-01  4.1868700000e-01 -2.1002490000e+00 -1.4438690000e+00  1.9074600000e-01 -1.2230430000e+00 -1.1359970000e+00 -1.6716600000e-01 -2.2542340000e+00 -2.1850150000e+00
+ENERGY -1.526584022212e+02
+FORCES  5.4690000000e-04 -8.2827000000e-03 -4.0943000000e-03 -1.3626000000e-03 -4.9459000000e-03  1.1904000000e-03  2.8571000000e-03  2.9833000000e-03 -3.7000000000e-03 -2.6917000000e-03  1.4662700000e-02  8.1617000000e-03 -1.4250000000e-04 -7.0004000000e-03 -4.6344000000e-03  7.9280000000e-04  2.5830000000e-03  3.0766000000e-03
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5744700000e-01  2.7318900000e-01 -6.3981500000e-01 -2.1011900000e-01  5.0027100000e-01  7.8855000000e-01  2.4998700000e+00 -2.9238400000e-01 -5.5030500000e-01  1.5587320000e+00 -1.6136300000e-01 -6.6573700000e-01  2.8666190000e+00 -1.8437900000e-01 -1.4278370000e+00
+ENERGY -1.526569017973e+02
+FORCES  1.0124400000e-02  1.8889000000e-03  1.9322000000e-03  5.3649000000e-03 -8.3770000000e-04  2.5297000000e-03 -1.5014000000e-03 -2.4082000000e-03 -4.7105000000e-03 -1.6859200000e-02  1.8337000000e-03  4.0429000000e-03  7.4958000000e-03 -7.7580000000e-04 -5.9018000000e-03 -4.6245000000e-03  2.9900000000e-04  2.1076000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2142600000e-01 -2.0178200000e-01  4.4808000000e-01  6.7913400000e-01 -1.8708700000e-01  6.4808000000e-01  4.9546800000e-01 -2.1027080000e+00 -1.3189170000e+00  2.8990100000e-01 -1.3418940000e+00 -7.7565100000e-01  1.4507140000e+00 -2.1028850000e+00 -1.3800530000e+00
+ENERGY -1.526525602547e+02
+FORCES  1.8368000000e-03 -1.2988300000e-02 -5.3060000000e-03  6.2953000000e-03 -1.1537000000e-03 -3.7488000000e-03 -3.6659000000e-03 -3.2591000000e-03 -7.3861000000e-03 -4.8422000000e-03  2.4715700000e-02  1.1686900000e-02  2.9728000000e-03 -9.2183000000e-03  2.2750000000e-03 -2.5969000000e-03  1.9037000000e-03  2.4790000000e-03
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7693100000e-01 -2.1676500000e-01  3.1660300000e-01  4.3630700000e-01  3.9625200000e-01  7.5422300000e-01 -1.1218220000e+00 -1.9090040000e+00  3.6563660000e+00 -1.3772400000e+00 -1.0578100000e+00  3.3007510000e+00 -1.6599400000e-01 -1.8757740000e+00  3.6953550000e+00
+ENERGY -1.526530659325e+02
+FORCES -1.8865000000e-03  5.4590000000e-04  3.3704000000e-03  3.9214000000e-03  1.4977000000e-03 -5.5210000000e-04 -2.1486000000e-03 -2.0260000000e-03 -2.5272000000e-03  3.1526000000e-03  2.9112000000e-03 -5.8410000000e-04  1.2169000000e-03 -3.2633000000e-03  4.5390000000e-04 -4.2558000000e-03  3.3460000000e-04 -1.6100000000e-04
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4841900000e-01 -6.2989100000e-01 -6.7657700000e-01  4.5970500000e-01 -2.9736400000e-01  7.8516100000e-01 -2.1287260000e+00 -5.1862100000e-01  1.8515790000e+00 -3.0637600000e+00 -5.2656700000e-01  1.6469310000e+00 -1.7103060000e+00 -2.0429700000e-01  1.0501070000e+00
+ENERGY -1.526614222825e+02
+FORCES  4.0582000000e-03 -4.6666000000e-03  1.2131000000e-03 -8.9070000000e-04  2.7981000000e-03  3.3483000000e-03 -3.5563000000e-03  1.5384000000e-03 -4.7401000000e-03  2.6105000000e-03  2.6515000000e-03 -7.5406000000e-03  3.4973000000e-03  1.0070000000e-04 -6.6240000000e-04 -5.7190000000e-03 -2.4222000000e-03  8.3818000000e-03
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2664000000e-02 -5.0879600000e-01  8.0835100000e-01 -7.4260300000e-01 -2.9465800000e-01 -5.2721000000e-01 -1.7751940000e+00 -5.7085400000e-01 -1.9639670000e+00 -2.7311670000e+00 -5.3339000000e-01 -1.9332620000e+00 -1.5384410000e+00 -3.8679000000e-02 -2.7235530000e+00
+ENERGY -1.526607743333e+02
+FORCES -9.2287000000e-03 -4.4097000000e-03 -8.6163000000e-03 -1.6258000000e-03  9.3610000000e-04 -3.1558000000e-03  6.3547000000e-03  1.9621000000e-03  8.1661000000e-03  2.5775000000e-03  4.2633000000e-03  5.5910000000e-04  4.8870000000e-03  1.3230000000e-04 -3.7400000000e-04 -2.9648000000e-03 -2.8841000000e-03  3.4209000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3288000000e-02 -5.5176800000e-01 -7.8205400000e-01 -3.9000800000e-01  8.2702000000e-01 -2.8313200000e-01  2.6736220000e+00 -2.4472900000e-01  2.1664300000e-01  1.7325460000e+00 -8.4767000000e-02  2.8749500000e-01  2.9764800000e+00  3.8900000000e-01 -4.3366200000e-01
+ENERGY -1.526591793149e+02
+FORCES  4.0432000000e-03  8.8900000000e-05 -3.2799000000e-03  1.3564000000e-03  4.5265000000e-03  4.2813000000e-03  2.8518000000e-03 -4.6137000000e-03  2.5280000000e-04 -1.5899800000e-02  4.6649000000e-03 -1.0047000000e-03  9.5815000000e-03 -2.9055000000e-03 -1.4977000000e-03 -1.9330000000e-03 -1.7611000000e-03  1.2483000000e-03
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8372500000e-01  9.0338200000e-01  2.5763800000e-01  1.4672700000e-01 -5.1111100000e-01  7.9590700000e-01 -2.0498400000e-01 -3.6568900000e+00  2.7405200000e-01 -7.1711000000e-02 -4.6012550000e+00  3.5556600000e-01  4.9093700000e-01 -3.3663110000e+00 -3.1543000000e-01
+ENERGY -1.526559148570e+02
+FORCES  2.2780000000e-04  1.3327000000e-03  4.9390000000e-03 -7.6300000000e-04 -3.6704000000e-03 -9.8440000000e-04  6.9900000000e-04  3.4393000000e-03 -3.8695000000e-03  2.8533000000e-03 -3.1612000000e-03 -3.2936000000e-03 -5.0540000000e-04  3.8912000000e-03 -4.4890000000e-04 -2.5117000000e-03 -1.8317000000e-03  3.6574000000e-03
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5480300000e-01  5.3940000000e-02 -4.0920000000e-02 -2.1792100000e-01 -7.8384100000e-01 -5.0431700000e-01 -4.6460800000e-01 -2.0976090000e+00 -1.8032940000e+00 -1.2532270000e+00 -1.7820730000e+00 -2.2445980000e+00 -5.4593800000e-01 -3.0512140000e+00 -1.8192540000e+00
+ENERGY -1.526611953124e+02
+FORCES  1.9266000000e-03 -9.8738000000e-03 -7.3556000000e-03 -2.5042000000e-03 -7.1700000000e-05  4.8250000000e-04 -1.2340000000e-03  8.3123000000e-03  4.4074000000e-03 -2.0504000000e-03 -1.0538000000e-03  1.2320000000e-04  4.1202000000e-03 -2.0305000000e-03  3.5628000000e-03 -2.5830000000e-04  4.7174000000e-03 -1.2204000000e-03
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8286400000e-01  8.3704100000e-01  4.2679600000e-01 -6.8336600000e-01 -8.4716000000e-02 -6.6488100000e-01 -1.0575340000e+00  1.1398770000e+00  2.8477790000e+00 -1.2818250000e+00  3.3772200000e-01  3.3194480000e+00 -1.8271910000e+00  1.3250370000e+00  2.3096570000e+00
+ENERGY -1.526553468777e+02
+FORCES -2.2014000000e-03  3.9172000000e-03  1.7275000000e-03 -5.2030000000e-04 -2.9253000000e-03 -5.6342000000e-03  1.9718000000e-03  4.7530000000e-04  3.4980000000e-03 -3.8831000000e-03 -5.4086000000e-03  1.1620000000e-03  8.1100000000e-05  4.2179000000e-03 -1.0935000000e-03  4.5519000000e-03 -2.7650000000e-04  3.4020000000e-04
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7853400000e-01 -7.6240300000e-01 -3.2554400000e-01 -4.4434600000e-01  2.3201000000e-01  8.1545100000e-01 -1.9414940000e+00  8.5170800000e-01  1.5971380000e+00 -1.8953960000e+00  1.7763290000e+00  1.8404140000e+00 -2.1681800000e+00  4.0059800000e-01  2.4103700000e+00
+ENERGY -1.526575669545e+02
+FORCES -1.5410800000e-02  3.6886000000e-03  9.1994000000e-03  1.6628000000e-03  1.3473000000e-03  9.9330000000e-04  7.7528000000e-03 -2.6301000000e-03 -1.8702000000e-03  3.0611000000e-03  1.4071000000e-03 -2.8494000000e-03  1.3280000000e-04 -5.7227000000e-03 -3.2960000000e-04  2.8012000000e-03  1.9098000000e-03 -5.1435000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1287600000e-01  5.6783800000e-01 -6.5063400000e-01  4.8259400000e-01  1.7119700000e-01  8.0871900000e-01 -2.5225740000e+00  4.3257800000e-01  3.0505500000e-01 -1.5743890000e+00  3.0861600000e-01  2.6250700000e-01 -2.8861560000e+00 -3.5949600000e-01 -9.0747000000e-02
+ENERGY -1.526580247984e+02
+FORCES -1.0552900000e-02  4.3393000000e-03  5.9550000000e-04 -1.7936000000e-03 -2.9863000000e-03  4.6230000000e-03 -3.8660000000e-03  2.9770000000e-04 -5.0436000000e-03  2.2099500000e-02 -6.1041000000e-03 -3.8341000000e-03 -7.5400000000e-03  2.6686000000e-03  3.1017000000e-03  1.6530000000e-03  1.7847000000e-03  5.5750000000e-04
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2862600000e-01  8.1220900000e-01 -4.5197100000e-01 -9.5578100000e-01  1.4123000000e-02  5.0157000000e-02 -1.4172820000e+00  1.3625200000e+00  3.0689890000e+00 -1.0269240000e+00  1.8765510000e+00  2.3621480000e+00 -8.3446300000e-01  1.4999200000e+00  3.8157650000e+00
+ENERGY -1.526545000671e+02
+FORCES -3.6589000000e-03  1.4733000000e-03 -1.7977000000e-03 -1.0757000000e-03 -2.7186000000e-03  2.9985000000e-03  4.6055000000e-03  8.3960000000e-04 -1.1436000000e-03  5.6548000000e-03  1.5963000000e-03  2.6600000000e-04 -2.8995000000e-03 -1.0923000000e-03  2.4400000000e-03 -2.6262000000e-03 -9.8300000000e-05 -2.7632000000e-03
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1018300000e-01  9.2439400000e-01 -1.3248200000e-01 -2.9813600000e-01 -4.3108200000e-01 -8.0094600000e-01  1.2014180000e+00  9.9812500000e-01 -3.5895830000e+00  3.9398900000e-01  8.9890000000e-01 -3.0851570000e+00  1.4001760000e+00  1.1493800000e-01 -3.9005640000e+00
+ENERGY -1.526524290726e+02
+FORCES -1.5433000000e-03  2.1999000000e-03 -2.6353000000e-03  4.5990000000e-04 -4.4382000000e-03 -1.9500000000e-04  1.3643000000e-03  2.5350000000e-03  2.1768000000e-03 -1.4620000000e-03 -4.2414000000e-03  6.8170000000e-04  2.4806000000e-03  1.4560000000e-04 -1.3309000000e-03 -1.2995000000e-03  3.7991000000e-03  1.3028000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1884800000e-01 -8.4670500000e-01 -3.1250500000e-01 -1.0906000000e-01  5.2330200000e-01 -7.9403600000e-01  2.5279800000e-01  3.8606230000e+00  4.6375000000e-02  1.1501760000e+00  3.5642560000e+00  1.9839700000e-01 -2.1731700000e-01  3.6220780000e+00  8.4532400000e-01
+ENERGY -1.526564882430e+02
+FORCES  2.1990000000e-04 -1.2823000000e-03 -5.0150000000e-03 -1.1529000000e-03  3.5622000000e-03  1.1840000000e-03  8.3000000000e-04 -3.4075000000e-03  3.4976000000e-03  1.8543000000e-03 -2.3240000000e-03  5.1286000000e-03 -3.5230000000e-03  1.6529000000e-03 -1.2787000000e-03  1.7718000000e-03  1.7988000000e-03 -3.5165000000e-03
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0659500000e-01  7.5954500000e-01 -4.9530100000e-01  7.6291600000e-01 -2.8092200000e-01  5.0524600000e-01  2.2254230000e+00 -4.9825600000e-01  1.5646100000e+00  2.1681080000e+00 -1.4512170000e+00  1.4952360000e+00  2.9101180000e+00 -2.5307700000e-01  9.4226600000e-01
+ENERGY -1.526578973284e+02
+FORCES  1.2593100000e-02  1.0718000000e-03  9.0325000000e-03  1.1230000000e-04 -2.5122000000e-03  1.3055000000e-03 -6.3145000000e-03 -3.0036000000e-03 -8.0505000000e-03  1.8755000000e-03 -1.5644000000e-03 -2.2359000000e-03 -2.2764000000e-03  7.0062000000e-03 -2.0317000000e-03 -5.9899000000e-03 -9.9780000000e-04  1.9801000000e-03
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2011400000e-01  6.3592300000e-01 -6.3981400000e-01 -4.3532900000e-01  2.4203000000e-01  8.1739900000e-01  1.2814640000e+00 -3.2990090000e+00  1.0476430000e+00  1.3813800000e+00 -2.6590150000e+00  1.7523820000e+00  3.3983200000e-01 -3.3235420000e+00  8.7746500000e-01
+ENERGY -1.526540322086e+02
+FORCES -2.7491000000e-03  4.6267000000e-03 -4.1190000000e-04  1.2613000000e-03 -2.7441000000e-03  2.8672000000e-03  2.0610000000e-03 -2.0334000000e-03 -3.0242000000e-03 -3.7042000000e-03  4.7359000000e-03  4.8510000000e-04 -3.5380000000e-04 -3.2578000000e-03 -1.5502000000e-03  3.4847000000e-03 -1.3273000000e-03  1.6339000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3786000000e-02  9.3975600000e-01  1.7874500000e-01  7.1976800000e-01 -1.5392500000e-01 -6.1194200000e-01 -1.8185870000e+00 -6.0162400000e-01 -2.2517400000e+00 -1.6902720000e+00 -1.5486440000e+00 -2.1976920000e+00 -1.3818370000e+00 -2.5546500000e-01 -1.4735010000e+00
+ENERGY -1.526606355729e+02
+FORCES  5.3010000000e-03  2.9660000000e-03  1.3700000000e-05 -7.3000000000e-04 -4.9844000000e-03 -2.0965000000e-03 -5.3406000000e-03  6.5600000000e-04  2.4575000000e-03  4.5826000000e-03 -1.3162000000e-03  9.6376000000e-03  1.9400000000e-04  2.8979000000e-03 -9.4020000000e-04 -4.0070000000e-03 -2.1940000000e-04 -9.0721000000e-03
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4839700000e-01  6.4261100000e-01 -6.9373000000e-01 -9.2670900000e-01  9.4366000000e-02  2.2031100000e-01 -2.7871610000e+00 -2.7118500000e-01  3.7119700000e-01 -3.4011100000e+00 -1.0398900000e-01  1.0862790000e+00 -3.1043900000e+00 -1.0784570000e+00 -3.3660000000e-02
+ENERGY -1.526616964328e+02
+FORCES -1.0488200000e-02  1.3653000000e-03  3.0710000000e-04 -1.0923000000e-03 -2.0063000000e-03  1.9784000000e-03  9.7518000000e-03  1.3957000000e-03 -1.5766000000e-03 -3.3500000000e-04 -3.3703000000e-03  4.4910000000e-04  2.2434000000e-03 -1.6082000000e-03 -3.7871000000e-03 -7.9700000000e-05  4.2238000000e-03  2.6291000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5754400000e-01  6.4344000000e-01 -6.9093900000e-01 -5.9462000000e-02 -8.4670700000e-01 -4.4247400000e-01  4.6726400000e-01 -3.1309640000e+00  1.2411360000e+00  7.0654800000e-01 -2.3783880000e+00  1.7820660000e+00  1.1690860000e+00 -3.1936740000e+00  5.9325800000e-01
+ENERGY -1.526569999613e+02
+FORCES -2.3567000000e-03 -1.0301000000e-03 -4.4941000000e-03  6.4090000000e-04 -3.0534000000e-03  2.5728000000e-03  1.9457000000e-03  5.1282000000e-03  7.8270000000e-04  4.5504000000e-03  2.8879000000e-03  2.1285000000e-03 -8.2490000000e-04 -4.7236000000e-03 -2.4687000000e-03 -3.9554000000e-03  7.9100000000e-04  1.4788000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7917200000e-01  9.1540500000e-01 -1.8142000000e-02 -7.1043900000e-01 -4.6960000000e-02 -6.3976800000e-01  4.5029200000e-01  2.9178400000e+00 -2.6029000000e-01 -7.9422000000e-02  3.0835930000e+00 -1.0401370000e+00 -1.1020000000e-02  3.3727640000e+00  4.4431400000e-01
+ENERGY -1.526603865615e+02
+FORCES  5.7630000000e-04  9.8880000000e-03 -2.5706000000e-03 -2.6626000000e-03 -1.0093600000e-02  7.1750000000e-04  1.9804000000e-03  6.1800000000e-04  1.7284000000e-03 -3.7632000000e-03  4.4961000000e-03 -1.6710000000e-04  1.9451000000e-03 -2.2647000000e-03  4.4082000000e-03  1.9239000000e-03 -2.6437000000e-03 -4.1165000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1588800000e-01  9.3471000000e-02 -4.9175400000e-01 -1.0681700000e-01  5.7930600000e-01  7.5447100000e-01  3.4040700000e-01  2.0425630000e+00  1.8630640000e+00  1.2925550000e+00  2.0075680000e+00  1.9548390000e+00  1.8398300000e-01  2.7692460000e+00  1.2599930000e+00
+ENERGY -1.526605161582e+02
+FORCES -1.3524000000e-03  8.2504000000e-03  8.9022000000e-03  2.6219000000e-03  1.4802000000e-03  2.1920000000e-03 -1.3124000000e-03 -6.9719000000e-03 -8.3740000000e-03  5.0415000000e-03  1.1716000000e-03 -4.6720000000e-03 -5.1806000000e-03  6.0860000000e-04 -5.9410000000e-04  1.8210000000e-04 -4.5389000000e-03  2.5460000000e-03
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6567100000e-01 -8.5240000000e-02 -3.9947500000e-01  6.6160000000e-02  7.7907500000e-01  5.5217500000e-01 -8.1351800000e-01 -2.0539290000e+00  1.7646040000e+00 -3.9929300000e-01 -1.4726220000e+00  1.1268480000e+00 -3.1333800000e-01 -1.9219330000e+00  2.5699790000e+00
+ENERGY -1.526601814745e+02
+FORCES  1.3926000000e-03  3.5146000000e-03  8.1850000000e-04 -4.4641000000e-03 -1.0870000000e-04  3.5736000000e-03  8.0280000000e-04 -4.7920000000e-03 -2.4944000000e-03  4.6821000000e-03  8.7593000000e-03 -6.3866000000e-03 -1.2442000000e-03 -8.0783000000e-03  7.3902000000e-03 -1.1691000000e-03  7.0510000000e-04 -2.9012000000e-03
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0568100000e-01  9.0030100000e-01  3.0744200000e-01  2.3057700000e-01 -5.4029700000e-01  7.5574100000e-01  3.5183500000e-01  2.6276340000e+00  2.5770600000e-01 -4.0244000000e-01  2.9602480000e+00 -2.2878000000e-01  1.1007360000e+00  2.8011110000e+00 -3.1263200000e-01
+ENERGY -1.526606161097e+02
+FORCES  2.3935000000e-03  1.5547700000e-02  3.7798000000e-03 -2.2630000000e-03 -1.0835200000e-02 -1.5905000000e-03  4.6300000000e-05  3.6344000000e-03 -1.5069000000e-03 -2.5650000000e-04 -5.2243000000e-03 -5.7795000000e-03  4.5438000000e-03 -2.5237000000e-03  2.2827000000e-03 -4.4641000000e-03 -5.9880000000e-04  2.8144000000e-03
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3512200000e-01  1.6976500000e-01 -1.1383500000e-01  3.6876000000e-02 -7.6519200000e-01  5.7389300000e-01 -1.5039650000e+00 -1.6526810000e+00 -3.0247460000e+00 -1.5290420000e+00 -7.0200900000e-01 -2.9160050000e+00 -8.5370000000e-01 -1.7985700000e+00 -3.7118440000e+00
+ENERGY -1.526547556328e+02
+FORCES -3.8273000000e-03 -4.1567000000e-03  2.0438000000e-03  3.7529000000e-03  2.8380000000e-04 -3.9110000000e-04  1.7500000000e-04  3.6407000000e-03 -1.6227000000e-03  4.2360000000e-03  3.5716000000e-03 -2.2200000000e-03 -1.3461000000e-03 -3.6698000000e-03 -1.6240000000e-04 -2.9905000000e-03  3.3030000000e-04  2.3523000000e-03
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2174600000e-01 -8.4421000000e-01 -3.1625900000e-01 -6.9930900000e-01 -2.2438700000e-01  6.1388000000e-01  1.9105060000e+00 -6.3552000000e-02  2.2342240000e+00  1.6800220000e+00  7.9884200000e-01  2.5797460000e+00  1.4494600000e+00 -1.1775400000e-01  1.3971270000e+00
+ENERGY -1.526594061720e+02
+FORCES -4.6091000000e-03 -4.1636000000e-03 -3.9600000000e-05  4.9030000000e-04  5.3404000000e-03  4.4953000000e-03  4.9860000000e-03  1.4520000000e-03 -2.5963000000e-03 -6.4663000000e-03  5.3926000000e-03 -7.9428000000e-03  5.0640000000e-04 -3.0152000000e-03 -1.0700000000e-04  5.0928000000e-03 -5.0062000000e-03  6.1904000000e-03
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0969100000e-01 -8.5403100000e-01 -3.0158500000e-01 -2.5015800000e-01  4.6101700000e-01 -8.0069700000e-01  1.3394820000e+00 -9.9759500000e-01 -3.2160240000e+00  1.4829890000e+00 -1.8276080000e+00 -3.6706840000e+00  1.4719260000e+00 -3.2951400000e-01 -3.8886000000e+00
+ENERGY -1.526570382717e+02
+FORCES  1.5908000000e-03 -2.3665000000e-03 -6.7790000000e-03 -2.0303000000e-03  2.5489000000e-03  3.6289000000e-03 -1.8080000000e-04 -1.5940000000e-04  3.9963000000e-03  2.1412000000e-03 -6.8990000000e-04 -5.6652000000e-03 -6.0830000000e-04  3.5815000000e-03  2.0309000000e-03 -9.1260000000e-04 -2.9146000000e-03  2.7881000000e-03
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8975100000e-01  2.7510000000e-01  2.2112100000e-01 -3.1498000000e-02 -9.5637500000e-01  2.4229000000e-02 -2.7124370000e+00  1.8430100000e-01 -4.2832000000e-02 -2.7367490000e+00 -6.2486700000e-01 -5.5360300000e-01 -2.9429500000e+00  8.7046800000e-01 -6.6914700000e-01
+ENERGY -1.526580734120e+02
+FORCES -1.6254900000e-02 -7.6080000000e-04  2.1411000000e-03  9.0884000000e-03 -4.5000000000e-06 -1.1411000000e-03 -7.8700000000e-04  2.3345000000e-03 -1.1810000000e-03  4.6301000000e-03 -1.5825000000e-03 -6.3036000000e-03  1.3575000000e-03  3.8027000000e-03  3.1724000000e-03  1.9659000000e-03 -3.7895000000e-03  3.3121000000e-03
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8575900000e-01 -3.4016800000e-01 -6.7631600000e-01  1.7988600000e-01 -5.4209800000e-01  7.6811600000e-01 -1.8470400000e+00 -3.1255810000e+00 -1.5074480000e+00 -1.6574980000e+00 -2.4264420000e+00 -2.1331560000e+00 -2.8018040000e+00 -3.1938030000e+00 -1.5057680000e+00
+ENERGY -1.526548930743e+02
+FORCES  2.8763000000e-03 -4.8300000000e-03  1.1195000000e-03 -2.5844000000e-03  1.7863000000e-03  2.0075000000e-03 -1.9750000000e-04  3.0154000000e-03 -2.7565000000e-03 -3.7258000000e-03  3.6097000000e-03 -2.0899000000e-03 -1.6840000000e-04 -3.5399000000e-03  1.8592000000e-03  3.7998000000e-03 -4.1500000000e-05 -1.3980000000e-04
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9819800000e-01 -7.4278700000e-01  5.7027800000e-01  6.8168700000e-01 -2.4405000000e-02 -6.7152000000e-01  5.2180800000e-01 -1.9284700000e+00  1.8119420000e+00  7.0809400000e-01 -2.8609500000e+00  1.7023580000e+00 -1.8557700000e-01 -1.8991430000e+00  2.4561300000e+00
+ENERGY -1.526603530817e+02
+FORCES  5.5011000000e-03 -1.1397800000e-02  8.7720000000e-03 -3.3676000000e-03  7.3940000000e-03 -5.4278000000e-03 -1.5505000000e-03 -1.1197000000e-03  2.1212000000e-03 -3.1080000000e-03  1.6241000000e-03 -2.8274000000e-03 -1.2970000000e-03  4.5710000000e-03  1.4363000000e-03  3.8220000000e-03 -1.0715000000e-03 -4.0743000000e-03
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0337900000e-01  2.5934100000e-01  7.7174100000e-01  8.9407100000e-01 -1.1177300000e-01  3.2307200000e-01 -4.9873200000e-01 -2.1236270000e+00 -1.4919080000e+00 -3.8685700000e-01 -3.0187950000e+00 -1.1719240000e+00 -2.2425800000e-01 -1.5711010000e+00 -7.6005400000e-01
+ENERGY -1.526573574208e+02
+FORCES -1.8162000000e-03 -1.9917000000e-03 -7.8310000000e-04  3.6420000000e-03 -1.7787000000e-03 -3.7488000000e-03 -6.3530000000e-03 -2.8018000000e-03 -2.0675000000e-03  1.6518000000e-03  1.1926800000e-02  8.9369000000e-03  5.0810000000e-04  4.6160000000e-03  1.2812000000e-03  2.3674000000e-03 -9.9706000000e-03 -3.6188000000e-03
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5285000000e-01 -2.4359500000e-01 -3.5991600000e-01 -6.1063800000e-01 -1.2038900000e-01 -7.2722800000e-01  1.0926980000e+00 -3.7866270000e+00 -1.1961820000e+00  1.4204900000e+00 -4.3478310000e+00 -1.8989160000e+00  1.6400150000e+00 -4.0029160000e+00 -4.4126800000e-01
+ENERGY -1.526553810398e+02
+FORCES  9.0620000000e-04 -3.1613000000e-03 -5.0588000000e-03 -2.9111000000e-03  2.2275000000e-03  2.0198000000e-03  2.0194000000e-03  1.5344000000e-03  2.9127000000e-03  3.3019000000e-03 -4.1873000000e-03  7.5990000000e-04 -1.3759000000e-03  2.5339000000e-03  2.9000000000e-03 -1.9403000000e-03  1.0527000000e-03 -3.5336000000e-03
+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0405700000e-01 -9.0328300000e-01 -8.8664000000e-02  3.1727400000e-01  4.3860000000e-01 -7.8943000000e-01 -1.2226680000e+00  2.6991590000e+00  1.5125470000e+00 -1.1051080000e+00  1.8176210000e+00  1.8665300000e+00 -6.0277200000e-01  2.7502570000e+00  7.8498300000e-01
+ENERGY -1.526569133534e+02
+FORCES  2.4890000000e-03 -3.3204000000e-03 -4.5542000000e-03 -1.3444000000e-03  3.9888000000e-03  1.9060000000e-04 -1.2064000000e-03 -1.0297000000e-03  4.0335000000e-03  3.7326000000e-03 -6.6349000000e-03 -2.4887000000e-03 -1.6487000000e-03  5.1329000000e-03  1.2500000000e-03 -2.0221000000e-03  1.8634000000e-03  1.5689000000e-03
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4683300000e-01  9.4151600000e-01 -9.0664000000e-02  3.9917900000e-01 -3.8153000000e-01 -7.8187200000e-01  2.9484300000e-01  2.8718720000e+00  6.6214000000e-02  3.8173700000e-01  3.4108870000e+00  8.5243500000e-01  9.4741600000e-01  3.2236750000e+00 -5.3927400000e-01
+ENERGY -1.526608049298e+02
+FORCES  1.4187000000e-03  9.2542000000e-03 -1.3298000000e-03  1.0670000000e-04 -1.0552600000e-02 -2.2546000000e-03 -7.6410000000e-04  2.4228000000e-03  2.1717000000e-03  1.9425000000e-03  2.5922000000e-03  3.0431000000e-03  2.6110000000e-04 -1.1369000000e-03 -4.6831000000e-03 -2.9649000000e-03 -2.5797000000e-03  3.0526000000e-03
+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1795500000e-01 -5.5921200000e-01 -7.4566000000e-01  7.2734200000e-01 -1.1990700000e-01  6.1059600000e-01  3.2288180000e+00  7.6415600000e-01 -1.4678990000e+00  3.1396060000e+00 -3.6668000000e-02 -9.5122300000e-01  3.4202950000e+00  1.4454840000e+00 -8.2341400000e-01
+ENERGY -1.526528108892e+02
+FORCES  3.8930000000e-03 -1.8832000000e-03 -2.0528000000e-03 -9.1850000000e-04  1.3276000000e-03  4.0788000000e-03 -2.0772000000e-03  2.8000000000e-04 -2.4331000000e-03  2.3440000000e-04  9.1180000000e-04  4.7237000000e-03 -8.0690000000e-04  2.7084000000e-03 -1.7803000000e-03 -3.2470000000e-04 -3.3445000000e-03 -2.5363000000e-03
+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2979000000e-02 -9.3774400000e-01  1.7760000000e-01  9.3251800000e-01  1.4149300000e-01 -1.6316100000e-01 -9.1806400000e-01  1.4166760000e+00  2.0436160000e+00 -1.8722830000e+00  1.3476540000e+00  2.0741770000e+00 -6.7230400000e-01  9.8496200000e-01  1.2254130000e+00
+ENERGY -1.526598316829e+02
+FORCES  3.2560000000e-04  1.8106000000e-03  8.3271000000e-03  9.0390000000e-04  4.8248000000e-03 -1.3774000000e-03 -4.9060000000e-03 -1.8420000000e-03  1.0990000000e-03  4.4496000000e-03 -8.8126000000e-03 -1.4402600000e-02  2.9511000000e-03 -1.4595000000e-03 -1.2774000000e-03 -3.7243000000e-03  5.4788000000e-03  7.6313000000e-03
+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6333000000e-02 -9.3406400000e-01  1.9838400000e-01 -8.1330700000e-01  8.2412000000e-02 -4.9796800000e-01 -2.0516240000e+00  5.9648800000e-01 -1.4579110000e+00 -2.9430850000e+00  5.3814600000e-01 -1.1142170000e+00 -1.9931180000e+00  1.4786500000e+00 -1.8247890000e+00
+ENERGY -1.526585684071e+02
+FORCES -1.5470600000e-02  3.5009000000e-03 -1.1636900000e-02 -2.7721000000e-03  2.5563000000e-03 -1.4664000000e-03  6.6091000000e-03 -3.2457000000e-03  5.6864000000e-03  9.1097000000e-03  1.0775000000e-03  7.1747000000e-03  4.9382000000e-03  7.2850000000e-04 -1.7956000000e-03 -2.4143000000e-03 -4.6176000000e-03  2.0377000000e-03
+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5659900000e-01 -9.2654100000e-01 -1.8229200000e-01  5.8498900000e-01  2.0319900000e-01  7.2988400000e-01  3.6719200000e-01  1.6146700000e+00 -2.0152220000e+00 -1.5961000000e-01  1.3948330000e+00 -2.7835860000e+00  1.2861500000e-01  9.5500800000e-01 -1.3639470000e+00
+ENERGY -1.526587320734e+02
+FORCES  5.4741000000e-03  6.2333000000e-03 -6.0802000000e-03 -4.7120000000e-04  5.4168000000e-03  4.3490000000e-04 -3.0725000000e-03 -2.9161000000e-03 -3.5627000000e-03 -3.9726000000e-03 -1.1472300000e-02  1.4520200000e-02  1.0374000000e-03 -1.8046000000e-03  3.6052000000e-03  1.0048000000e-03  4.5428000000e-03 -8.9174000000e-03
+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1555500000e-01 -1.6693100000e-01  2.2388700000e-01 -4.9183900000e-01 -2.9215100000e-01  7.6744600000e-01  2.9074140000e+00 -2.7278200000e-01  1.5526400000e-01  3.2359250000e+00 -1.0085040000e+00 -3.6148100000e-01  3.4163430000e+00 -3.0232800000e-01  9.6541800000e-01
+ENERGY -1.526611547812e+02
+FORCES  8.2565000000e-03 -1.1989000000e-03  2.7528000000e-03 -1.1089600000e-02 -1.5790000000e-04  2.7400000000e-05  2.5766000000e-03  7.5850000000e-04 -2.0303000000e-03  4.3607000000e-03 -2.3370000000e-03 -2.4650000000e-04 -1.3205000000e-03  3.5114000000e-03  3.4687000000e-03 -2.7836000000e-03 -5.7590000000e-04 -3.9721000000e-03
+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3459300000e-01  6.9353700000e-01  6.4585100000e-01 -8.4739100000e-01  2.0243100000e-01 -3.9646300000e-01 -2.0333280000e+00  7.9296000000e-01 -1.4860380000e+00 -1.7500040000e+00  1.6307370000e+00 -1.8522180000e+00 -1.9592230000e+00  1.7561200000e-01 -2.2137890000e+00
+ENERGY -1.526586502586e+02
+FORCES -1.5869100000e-02  7.1557000000e-03 -8.1851000000e-03 -1.1276000000e-03 -7.9710000000e-04 -2.8712000000e-03  7.8748000000e-03 -4.6533000000e-03  3.9721000000e-03  1.0079700000e-02 -7.6230000000e-04  4.7690000000e-04 -1.6110000000e-03 -4.4816000000e-03  1.7723000000e-03  6.5330000000e-04  3.5386000000e-03  4.8350000000e-03
+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4732000000e-02 -5.4490200000e-01  7.8506000000e-01  2.0100500000e-01  8.7596900000e-01  3.2940500000e-01 -3.4033300000e-01 -2.1378030000e+00  1.7270520000e+00  2.2250700000e-01 -2.3606340000e+00  2.4685300000e+00 -1.3422100000e-01 -2.7957330000e+00  1.0630660000e+00
+ENERGY -1.526611595402e+02
+FORCES -1.8468000000e-03 -6.6796000000e-03  9.0574000000e-03  2.5594000000e-03  8.0784000000e-03 -7.3170000000e-03 -4.4190000000e-04 -3.6019000000e-03  6.4210000000e-04  2.5508000000e-03 -2.7931000000e-03 -2.7037000000e-03 -2.3750000000e-03  1.4162000000e-03 -4.1327000000e-03 -4.4650000000e-04  3.5799000000e-03  4.4539000000e-03
+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2697800000e-01 -1.2536000000e-01  2.0304600000e-01  3.2371000000e-02  8.3399000000e-01 -4.6866200000e-01 -2.6121100000e+00 -1.8015800000e-01 -2.3717600000e-01 -2.7290730000e+00 -9.1451900000e-01 -8.3989200000e-01 -3.0241870000e+00 -4.6977000000e-01  5.7679500000e-01
+ENERGY -1.526574155624e+02
+FORCES -2.0583300000e-02  2.3108000000e-03 -3.3235000000e-03  6.7849000000e-03 -2.3813000000e-03  4.8000000000e-03  7.8260000000e-04 -2.0874000000e-03  7.7470000000e-04  6.9509000000e-03 -2.7141000000e-03 -2.4316000000e-03  1.4710000000e-04  3.8541000000e-03  4.2931000000e-03  5.9178000000e-03  1.0177000000e-03 -4.1128000000e-03
+
+JOB 60
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6467400000e-01 -8.0287300000e-01  4.4897000000e-01 -9.5633000000e-01 -6.6290000000e-03  4.0264000000e-02  2.0675630000e+00  4.6545100000e-01 -1.9892580000e+00  1.2825950000e+00  3.3730300000e-01 -1.4566840000e+00  2.0339020000e+00 -2.3653500000e-01 -2.6391150000e+00
+ENERGY -1.526612445938e+02
+FORCES -2.3267000000e-03 -2.2587000000e-03  2.4969000000e-03 -2.1401000000e-03  3.6609000000e-03 -2.9665000000e-03  4.6261000000e-03 -9.8530000000e-04  4.6910000000e-04 -7.8867000000e-03 -2.4378000000e-03  4.1774000000e-03  7.9922000000e-03  2.7360000000e-04 -6.7391000000e-03 -2.6490000000e-04  1.7472000000e-03  2.5622000000e-03
+
+JOB 61
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4628500000e-01  8.4484200000e-01  3.7658600000e-01  3.4107000000e-02 -5.9561900000e-01  7.4853700000e-01 -1.8333830000e+00 -8.2330200000e-01 -2.0328080000e+00 -1.6982280000e+00 -2.3540400000e-01 -2.7760050000e+00 -1.3262410000e+00 -4.3168100000e-01 -1.3217020000e+00
+ENERGY -1.526610045483e+02
+FORCES  3.0450000000e-04 -1.1562000000e-03  4.3517000000e-03  1.1580000000e-04 -4.8386000000e-03 -2.8991000000e-03 -3.5390000000e-04  4.0007000000e-03 -3.3656000000e-03  8.7444000000e-03  4.4019000000e-03  5.8286000000e-03 -2.8750000000e-04 -1.0925000000e-03  2.7952000000e-03 -8.5232000000e-03 -1.3154000000e-03 -6.7108000000e-03
+
+JOB 62
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5164100000e-01 -3.6798900000e-01 -6.9029600000e-01  8.9123800000e-01 -2.4492500000e-01 -2.4887600000e-01 -2.1238110000e+00  3.0522090000e+00 -1.5804950000e+00 -2.6798800000e+00  2.9019740000e+00 -8.1600300000e-01 -2.2598700000e+00  3.9742090000e+00 -1.7987540000e+00
+ENERGY -1.526543431329e+02
+FORCES  1.3568000000e-03 -1.4491000000e-03 -4.8652000000e-03  2.1684000000e-03  5.8930000000e-04  3.4129000000e-03 -3.4248000000e-03  6.8300000000e-04  1.2040000000e-03 -2.2594000000e-03  3.1900000000e-03  3.1406000000e-03  1.5908000000e-03  7.1050000000e-04 -3.6915000000e-03  5.6820000000e-04 -3.7236000000e-03  7.9930000000e-04
+
+JOB 63
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2030200000e-01  9.2559600000e-01  2.1220600000e-01  9.4092000000e-02 -4.5257700000e-01  8.3818400000e-01 -1.2196800000e-01  2.7728640000e+00 -1.8766000000e-02  1.0216200000e-01  3.4311000000e+00  6.3905100000e-01  4.8446200000e-01  2.9387110000e+00 -7.4054900000e-01
+ENERGY -1.526601923659e+02
+FORCES -1.3713000000e-03  1.1038100000e-02  2.8745000000e-03  3.3038000000e-03 -1.0359600000e-02 -1.0471000000e-03 -2.4240000000e-04  2.8527000000e-03 -1.9987000000e-03  1.5965000000e-03  1.8021000000e-03 -1.5900000000e-03 -6.1490000000e-04 -3.7004000000e-03 -3.4525000000e-03 -2.6717000000e-03 -1.6329000000e-03  5.2139000000e-03
+
+JOB 64
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7224500000e-01 -5.3858600000e-01 -6.3493400000e-01 -5.2529200000e-01 -5.4073000000e-02  7.9835900000e-01  2.9163920000e+00  1.7462000000e-02  5.2394000000e-02  1.9741380000e+00  1.0577000000e-01  1.9589100000e-01  3.1393400000e+00  7.4290400000e-01 -5.3092400000e-01
+ENERGY -1.526615201994e+02
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+
+JOB 65
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4274500000e-01 -6.2835000000e-02 -1.5334600000e-01 -3.6101200000e-01 -7.9288400000e-01 -3.9653100000e-01 -1.0699020000e+00 -3.4248630000e+00  1.1154150000e+00 -1.0851160000e+00 -4.3524220000e+00  1.3512830000e+00 -1.7316210000e+00 -3.3409280000e+00  4.2889100000e-01
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+
+JOB 66
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+
+JOB 67
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5790700000e-01  3.1112300000e-01 -6.2176500000e-01  4.0877400000e-01 -7.5423000000e-01  4.2458500000e-01 -2.7156420000e+00 -2.5104800000e-01  1.3687000000e-01 -1.7679890000e+00 -3.6993900000e-01  7.3232000000e-02 -3.0728850000e+00 -1.1374360000e+00  8.2777000000e-02
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+
+JOB 68
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+
+JOB 69
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9739100000e-01 -1.0187100000e-01  3.1708700000e-01  5.0258200000e-01  2.4548800000e-01  7.7677500000e-01 -2.5149540000e+00 -1.5018000000e-01  3.4945100000e-01 -2.9545390000e+00 -3.8493000000e-02  1.1923760000e+00 -2.7856010000e+00  6.1031100000e-01 -1.6497800000e-01
+ENERGY -1.526567453711e+02
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+
+JOB 70
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+ENERGY -1.526565929444e+02
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+
+JOB 71
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+
+JOB 72
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+ENERGY -1.526596087711e+02
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+
+JOB 73
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+ENERGY -1.526566630727e+02
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+
+JOB 74
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+ENERGY -1.526579514459e+02
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+JOB 75
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+ENERGY -1.526586806535e+02
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+
+JOB 76
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+ENERGY -1.526606745915e+02
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+JOB 77
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+ENERGY -1.526599712542e+02
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+
+JOB 78
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+JOB 79
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+ENERGY -1.526599739446e+02
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+JOB 80
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+ENERGY -1.526589281798e+02
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+JOB 81
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+ENERGY -1.526570154013e+02
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+JOB 82
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+JOB 83
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+JOB 84
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+JOB 85
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+JOB 86
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+
+JOB 87
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+
+JOB 88
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+
+JOB 89
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+
+JOB 90
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+
+JOB 91
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+
+JOB 92
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+ENERGY -1.526585035490e+02
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+
+JOB 93
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+ENERGY -1.526588477202e+02
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+
+JOB 94
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+
+JOB 95
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+ENERGY -1.526587775567e+02
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+
+JOB 96
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+JOB 97
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+JOB 98
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+JOB 99
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+JOB 100
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+JOB 101
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+JOB 102
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+JOB 103
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+JOB 104
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+JOB 105
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+JOB 106
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+JOB 107
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+JOB 108
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+
+JOB 109
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+
+JOB 110
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+
+JOB 111
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+
+JOB 112
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+
+JOB 113
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+
+JOB 114
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+
+JOB 115
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+
+JOB 116
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+
+JOB 117
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+JOB 118
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+JOB 119
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+JOB 120
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+JOB 121
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+JOB 122
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+JOB 123
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+JOB 124
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+JOB 125
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+JOB 126
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+JOB 127
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+JOB 128
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+JOB 129
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+JOB 130
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+JOB 131
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+JOB 132
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+JOB 133
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+JOB 134
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+JOB 135
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+JOB 136
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+JOB 137
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+JOB 138
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+JOB 139
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+JOB 140
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+JOB 141
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+JOB 142
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+JOB 143
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+JOB 144
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+JOB 145
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+JOB 146
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+JOB 147
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+JOB 148
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+JOB 149
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+JOB 150
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+JOB 151
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+JOB 152
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+JOB 153
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+JOB 154
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+JOB 155
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+JOB 156
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+JOB 157
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+JOB 158
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+JOB 159
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+JOB 160
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+JOB 161
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+JOB 162
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+JOB 163
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+JOB 164
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+JOB 165
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+JOB 166
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+JOB 167
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+JOB 168
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+JOB 169
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+JOB 170
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+JOB 171
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+JOB 172
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+JOB 173
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+JOB 174
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+JOB 175
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+JOB 176
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+JOB 177
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+JOB 178
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+JOB 179
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+
+JOB 180
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+JOB 181
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+JOB 182
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+JOB 183
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+JOB 184
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+JOB 185
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+JOB 186
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+JOB 187
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+JOB 188
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+JOB 189
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+JOB 190
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+JOB 191
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+JOB 192
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+JOB 193
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+JOB 194
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+JOB 195
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+JOB 196
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+
+JOB 197
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+
+JOB 198
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+
+JOB 199
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+
+JOB 200
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+
+JOB 201
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+ENERGY -1.526597938645e+02
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+
+JOB 202
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+ENERGY -1.526580141601e+02
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+
+JOB 203
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+ENERGY -1.526608250174e+02
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+
+JOB 204
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+ENERGY -1.526538729759e+02
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+
+JOB 205
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+
+JOB 206
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+
+JOB 207
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+
+JOB 208
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+
+JOB 209
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+ENERGY -1.526536374046e+02
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+
+JOB 210
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+
+JOB 211
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+
+JOB 212
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+
+JOB 213
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+JOB 214
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+JOB 215
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+ENERGY -1.526560079757e+02
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+JOB 216
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+JOB 217
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+JOB 218
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+JOB 219
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+JOB 220
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+JOB 221
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+JOB 222
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+JOB 223
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+JOB 224
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+JOB 225
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+JOB 226
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+JOB 227
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+JOB 228
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+JOB 229
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+JOB 230
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+JOB 231
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+JOB 232
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+JOB 233
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+JOB 234
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+JOB 235
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+JOB 236
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+JOB 237
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+JOB 238
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+JOB 239
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+JOB 240
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+
+JOB 241
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2111500000e-01  1.8258200000e-01 -7.8187900000e-01 -3.0271600000e-01  6.3934200000e-01  6.4485400000e-01  1.6561800000e+00 -3.3472780000e+00 -1.4860390000e+00  1.6093570000e+00 -4.2273490000e+00 -1.8595550000e+00  1.5751770000e+00 -3.4826450000e+00 -5.4192700000e-01
+ENERGY -1.526543381409e+02
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+
+JOB 242
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2252100000e-01  9.3791000000e-01  1.4678000000e-01  3.1337100000e-01 -6.2784000000e-02 -9.0226900000e-01 -2.6015610000e+00 -6.9475600000e-01 -6.6486300000e-01 -2.8567700000e+00 -1.1952190000e+00  1.1014500000e-01 -1.7365530000e+00 -3.4526700000e-01 -4.5073900000e-01
+ENERGY -1.526596461494e+02
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+
+JOB 243
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3764000000e-02  9.4920200000e-01 -9.0724000000e-02 -2.1195400000e-01 -3.4366500000e-01 -8.6787200000e-01  2.8050250000e+00  1.9833370000e+00 -1.5898810000e+00  2.0077860000e+00  2.1198930000e+00 -2.1017350000e+00  2.5668530000e+00  1.3136240000e+00 -9.4879500000e-01
+ENERGY -1.526551822072e+02
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+
+JOB 244
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4513900000e-01 -2.7857500000e-01  5.3234900000e-01 -1.1292000000e-02  9.5567700000e-01  5.2782000000e-02 -2.7744010000e+00  4.6491200000e-01 -1.4830850000e+00 -2.4572300000e+00  9.8044000000e-01 -7.4155600000e-01 -2.5096740000e+00 -4.3271600000e-01 -1.2820500000e+00
+ENERGY -1.526518219244e+02
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+
+JOB 245
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3274600000e-01 -4.8217000000e-02  8.5243100000e-01  9.5665000000e-02 -8.7854700000e-01 -3.6774300000e-01  4.8774000000e-01 -2.1009540000e+00 -1.4544440000e+00  1.3796060000e+00 -1.8601240000e+00 -1.7050570000e+00 -3.9065000000e-02 -1.9119550000e+00 -2.2309670000e+00
+ENERGY -1.526585315993e+02
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+
+JOB 246
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0811900000e-01  7.9737100000e-01 -4.8694800000e-01 -7.5166800000e-01 -3.7310000000e-01 -4.6046000000e-01  1.9539700000e+00 -2.1035200000e-01 -1.8010710000e+00  2.8753390000e+00 -4.6978700000e-01 -1.8032150000e+00  1.6123060000e+00 -5.4515800000e-01 -9.7197300000e-01
+ENERGY -1.526601940640e+02
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+
+JOB 247
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1367000000e-02  9.5472500000e-01 -4.5756000000e-02 -6.6004800000e-01 -3.0593500000e-01 -6.2207100000e-01 -1.0950400000e-01 -1.6903510000e+00  2.1722120000e+00 -3.0842000000e-02 -1.0158600000e+00  1.4975970000e+00 -1.0516950000e+00 -1.8365340000e+00  2.2567080000e+00
+ENERGY -1.526602430603e+02
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+
+JOB 248
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1756000000e-02 -9.3450700000e-01 -2.0293900000e-01 -6.4281400000e-01  1.2284500000e-01  6.9852100000e-01  1.7039480000e+00  3.2474400000e-01  1.9924100000e+00  1.4635170000e+00  1.1894480000e+00  2.3251430000e+00  1.0387360000e+00  1.2790700000e-01  1.3328800000e+00
+ENERGY -1.526540254537e+02
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+
+JOB 249
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4327900000e-01  9.2221700000e-01 -2.1264700000e-01 -5.6059600000e-01 -1.6119000000e-01  7.5893500000e-01  2.5929750000e+00  3.3240400000e-01  3.9681400000e-01  1.6956790000e+00  1.5218000000e-02  4.9920500000e-01  2.5233060000e+00  1.0507490000e+00 -2.3196200000e-01
+ENERGY -1.526558284020e+02
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+
+JOB 250
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4722100000e-01 -4.3374100000e-01  1.0157100000e-01  5.8320800000e-01 -4.6999100000e-01  5.9599400000e-01  2.1624250000e+00 -8.0881400000e-01  1.6394160000e+00  2.8447430000e+00 -5.4514300000e-01  1.0220400000e+00  2.1481120000e+00 -1.1049600000e-01  2.2939210000e+00
+ENERGY -1.526619166555e+02
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+
+JOB 251
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0957200000e-01 -2.5385300000e-01  1.5642900000e-01  5.2497000000e-02  6.7775200000e-01 -6.7389000000e-01  1.0545840000e+00  3.0645760000e+00  1.3985330000e+00  1.3601300000e-01  3.0768550000e+00  1.1296330000e+00  1.5368910000e+00  3.3362880000e+00  6.1764600000e-01
+ENERGY -1.526537691688e+02
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+
+JOB 252
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1690100000e-01  3.3563200000e-01  7.3239100000e-01  4.9380000000e-03  7.0964700000e-01 -6.4234600000e-01  1.8228780000e+00  3.2937000000e-01  2.0021170000e+00  2.7211730000e+00  1.0357400000e-01  1.7606360000e+00  1.6109400000e+00 -2.6562500000e-01  2.7213500000e+00
+ENERGY -1.526605646175e+02
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+
+JOB 253
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+ENERGY -1.526603344363e+02
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+
+JOB 254
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+ENERGY -1.526592996699e+02
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+
+JOB 255
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+ENERGY -1.526558888431e+02
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+
+JOB 256
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+ENERGY -1.526533756270e+02
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+
+JOB 257
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+ENERGY -1.526585457700e+02
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+JOB 258
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+ENERGY -1.526580693033e+02
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+
+JOB 259
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+ENERGY -1.526594942099e+02
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+
+JOB 260
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+ENERGY -1.526566122960e+02
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+JOB 261
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+ENERGY -1.526597399671e+02
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+JOB 262
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+
+JOB 263
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+
+JOB 264
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+
+JOB 265
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+
+JOB 266
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+
+JOB 267
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+
+JOB 268
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+
+JOB 269
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+
+JOB 270
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+
+JOB 271
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+
+JOB 272
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+JOB 273
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+JOB 274
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+JOB 275
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+JOB 276
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+JOB 277
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+JOB 278
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+JOB 279
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+JOB 280
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+JOB 281
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+JOB 282
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+JOB 283
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+JOB 284
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+JOB 285
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+JOB 286
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+JOB 287
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+JOB 288
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+JOB 289
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+JOB 290
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+JOB 291
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+JOB 292
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+JOB 293
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+JOB 294
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+JOB 295
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+JOB 296
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+JOB 297
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+JOB 298
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+JOB 299
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+JOB 300
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+JOB 302
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+JOB 303
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+JOB 307
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+JOB 308
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+JOB 309
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+JOB 310
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+JOB 311
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+JOB 312
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+JOB 313
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+JOB 314
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+JOB 315
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+JOB 316
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+JOB 317
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+JOB 318
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+JOB 319
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+JOB 320
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+JOB 321
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+JOB 322
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+JOB 326
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+JOB 329
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+JOB 330
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+JOB 331
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+JOB 332
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+JOB 333
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+JOB 334
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+JOB 335
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+JOB 336
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+JOB 337
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+JOB 338
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+JOB 339
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+JOB 340
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+JOB 341
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+JOB 342
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+JOB 343
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+JOB 344
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+JOB 345
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+JOB 346
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+JOB 347
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+JOB 348
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+JOB 349
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+JOB 350
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+JOB 351
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+JOB 352
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+JOB 353
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+JOB 354
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+JOB 355
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+JOB 356
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+JOB 357
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+JOB 358
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+JOB 359
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+JOB 360
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+JOB 361
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+JOB 362
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+JOB 363
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+JOB 364
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+JOB 365
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+JOB 366
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+JOB 367
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+JOB 368
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+JOB 369
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+JOB 370
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+JOB 371
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+JOB 372
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+JOB 374
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+JOB 375
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+JOB 376
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+JOB 377
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+JOB 378
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+JOB 379
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+JOB 381
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+JOB 382
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+JOB 383
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+JOB 384
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+JOB 395
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+JOB 396
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+JOB 397
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+JOB 398
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+JOB 399
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+JOB 400
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+JOB 401
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+JOB 402
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+JOB 403
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+JOB 404
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+JOB 405
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+JOB 406
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+JOB 407
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+JOB 408
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+JOB 409
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+JOB 410
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+JOB 411
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+JOB 412
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+JOB 413
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+JOB 414
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+JOB 415
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+JOB 416
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+JOB 417
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+JOB 419
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+JOB 420
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+JOB 421
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+JOB 422
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+JOB 423
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+JOB 424
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+JOB 425
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+JOB 426
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+JOB 427
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+JOB 428
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+JOB 429
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+JOB 430
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+JOB 431
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+JOB 432
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+JOB 433
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+JOB 434
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+JOB 435
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+JOB 436
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+JOB 437
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+JOB 438
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+JOB 442
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+JOB 444
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+JOB 445
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+JOB 448
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+JOB 449
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+JOB 450
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+JOB 453
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+JOB 483
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+JOB 484
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+JOB 485
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+JOB 486
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+JOB 487
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+JOB 488
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+JOB 489
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+JOB 490
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+JOB 491
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+JOB 492
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+JOB 493
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+JOB 494
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+JOB 495
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+JOB 496
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+JOB 497
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+JOB 498
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+JOB 499
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+JOB 500
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+JOB 502
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+JOB 505
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+JOB 506
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+JOB 507
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+JOB 508
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+JOB 509
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+JOB 510
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+JOB 511
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+JOB 512
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+JOB 513
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+JOB 514
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+JOB 515
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+JOB 516
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+JOB 517
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+JOB 518
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+JOB 519
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+JOB 520
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+JOB 521
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+JOB 522
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+JOB 523
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+JOB 524
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+JOB 525
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+JOB 526
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+JOB 549
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+JOB 550
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+JOB 551
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+JOB 552
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+JOB 553
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+JOB 554
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+JOB 555
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+JOB 556
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+JOB 557
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+JOB 558
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+JOB 559
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+JOB 560
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+JOB 562
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+JOB 571
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+JOB 572
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+JOB 573
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+JOB 574
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+JOB 575
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+JOB 576
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+JOB 577
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+JOB 578
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+JOB 579
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+JOB 580
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+JOB 581
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+ENERGY -1.526573691397e+02
+FORCES  1.9345000000e-03 -8.7010000000e-03 -1.1208100000e-02 -9.4050000000e-04  2.9221000000e-03  2.0947000000e-03 -2.5082000000e-03  4.8089000000e-03  4.2860000000e-03 -3.0620000000e-04  2.2800000000e-04 -2.4748000000e-03 -6.5110000000e-04 -3.1198000000e-03  4.7534000000e-03  2.4716000000e-03  3.8618000000e-03  2.5488000000e-03
+
+JOB 593
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6805500000e-01 -6.2717600000e-01 -4.4743200000e-01 -2.1516900000e-01  8.4414600000e-01 -3.9667500000e-01 -8.2729500000e-01  2.3880650000e+00 -1.4137810000e+00 -1.5551930000e+00  2.6854020000e+00 -8.6789900000e-01 -3.8333600000e-01  3.1928850000e+00 -1.6809840000e+00
+ENERGY -1.526612961347e+02
+FORCES -3.1973000000e-03  6.6886000000e-03 -7.7643000000e-03  1.2751000000e-03  1.8710000000e-03  1.7369000000e-03  4.1650000000e-04 -7.4427000000e-03  6.8309000000e-03  3.1040000000e-04  4.3844000000e-03  4.9700000000e-05  4.5788000000e-03 -2.3609000000e-03 -2.3111000000e-03 -3.3834000000e-03 -3.1405000000e-03  1.4578000000e-03
+
+JOB 594
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5090000000e-01  1.1715100000e-01  9.1627300000e-01 -4.1929700000e-01  8.2589700000e-01 -2.4148800000e-01 -1.5734200000e+00  2.2824020000e+00  1.4171500000e-01 -1.2459560000e+00  3.1738010000e+00  2.6174900000e-01 -2.1227770000e+00  2.1231590000e+00  9.0923100000e-01
+ENERGY -1.526595054179e+02
+FORCES -6.4528000000e-03  1.2335200000e-02  2.7322000000e-03 -7.4210000000e-04 -9.4850000000e-04 -1.8273000000e-03  5.0948000000e-03 -6.7851000000e-03 -1.6999000000e-03  3.1100000000e-05 -1.6312000000e-03  3.5689000000e-03 -1.3908000000e-03 -4.9689000000e-03  3.9710000000e-04  3.4597000000e-03  1.9986000000e-03 -3.1710000000e-03
+
+JOB 595
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1601000000e-01  6.8271700000e-01  4.2879400000e-01 -1.7502500000e-01  3.4557300000e-01 -8.7531500000e-01  1.6796720000e+00  2.0176880000e+00  1.3654020000e+00  9.1944200000e-01  2.4410140000e+00  1.7642460000e+00  2.0658360000e+00  1.5017260000e+00  2.0731410000e+00
+ENERGY -1.526610506931e+02
+FORCES  6.5920000000e-03  7.7072000000e-03  5.4990000000e-04 -8.3491000000e-03 -6.5778000000e-03 -2.1196000000e-03  3.1840000000e-04 -6.6010000000e-04  3.0160000000e-03  1.4036000000e-03  1.3261000000e-03  6.1222000000e-03  3.0876000000e-03 -4.3235000000e-03 -3.6201000000e-03 -3.0525000000e-03  2.5281000000e-03 -3.9485000000e-03
+
+JOB 596
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6612000000e-01 -5.0598000000e-02 -4.0436000000e-01  1.4973400000e-01 -2.2842900000e-01  9.1740500000e-01  2.4493540000e+00 -6.5315200000e-01 -9.1958600000e-01  3.1036100000e+00 -9.5396600000e-01 -2.8895700000e-01  2.3860350000e+00 -1.3641570000e+00 -1.5573120000e+00
+ENERGY -1.526590957825e+02
+FORCES  1.6163400000e-02 -4.3349000000e-03 -2.8992000000e-03 -8.3201000000e-03  2.5428000000e-03  1.2452000000e-03 -6.8800000000e-05  4.1020000000e-04 -2.1097000000e-03 -5.4490000000e-03 -2.5327000000e-03  3.2225000000e-03 -3.4561000000e-03  4.9240000000e-04 -3.3397000000e-03  1.1306000000e-03  3.4222000000e-03  3.8809000000e-03
+
+JOB 597
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2326000000e-01  5.4934700000e-01 -4.7539200000e-01  7.8286400000e-01 -6.5610000000e-03 -5.5073800000e-01 -1.3526890000e+00 -2.2540920000e+00  2.2605500000e-01 -9.9767700000e-01 -1.4557020000e+00 -1.6480600000e-01 -1.5417530000e+00 -2.8230460000e+00 -5.2012100000e-01
+ENERGY -1.526557916011e+02
+FORCES  3.5430000000e-04 -2.8344000000e-03 -1.1630000000e-04  2.1780000000e-03 -7.8319000000e-03  1.5924000000e-03 -5.3737000000e-03 -3.7940000000e-04  2.1670000000e-03  8.9443000000e-03  1.2546400000e-02 -1.3942000000e-03 -8.4010000000e-03 -5.7190000000e-03 -3.5363000000e-03  2.2981000000e-03  4.2182000000e-03  1.2876000000e-03
+
+JOB 598
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5607600000e-01 -4.9851000000e-01  7.3547900000e-01 -7.4625100000e-01  4.9499300000e-01 -3.3811800000e-01  5.2580300000e-01 -6.1113300000e-01 -2.7018960000e+00  6.8361700000e-01 -4.6994000000e-01 -1.7684130000e+00  1.3800080000e+00 -8.6032400000e-01 -3.0547010000e+00
+ENERGY -1.526614588800e+02
+FORCES -4.9996000000e-03 -1.3982000000e-03 -1.5460000000e-04  6.8960000000e-04  3.1284000000e-03 -2.9152000000e-03  4.2485000000e-03 -3.0733000000e-03  2.0966000000e-03  1.6847000000e-03  4.1740000000e-04  8.7320000000e-03  8.2910000000e-04  3.2510000000e-04 -1.0317900000e-02 -2.4523000000e-03  6.0050000000e-04  2.5591000000e-03
+
+JOB 599
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9042500000e-01  8.6293400000e-01 -1.3836400000e-01 -5.7910200000e-01 -6.0295800000e-01 -4.6617000000e-01 -9.7230000000e-01  2.4612570000e+00 -3.8400000000e-03 -1.4029800000e+00  2.1553600000e+00  7.9439100000e-01 -1.9943000000e-01  2.9332240000e+00  3.0624100000e-01
+ENERGY -1.526583062359e+02
+FORCES -6.7800000000e-03  1.6431200000e-02 -4.3008000000e-03  1.8233000000e-03 -9.3875000000e-03  6.2150000000e-03  2.4960000000e-04  3.5166000000e-03  1.6704000000e-03  4.6593000000e-03 -4.4951000000e-03  4.4855000000e-03  4.4292000000e-03 -1.9750000000e-03 -6.5941000000e-03 -4.3814000000e-03 -4.0903000000e-03 -1.4760000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8568500000e-01 -7.4163900000e-01  4.6631600000e-01  1.2847000000e-02 -2.6233200000e-01 -9.2046100000e-01  2.2767620000e+00  1.4962870000e+00  4.2651400000e-01  1.4846270000e+00  1.0821410000e+00  8.4116000000e-02  2.6905040000e+00  8.1812100000e-01  9.6049900000e-01
+ENERGY -1.526574272250e+02
+FORCES  2.4335000000e-03 -3.2599000000e-03  5.2730000000e-04  3.2250000000e-04  5.4145000000e-03 -2.9079000000e-03  2.2798000000e-03  2.7790000000e-03  5.6657000000e-03 -1.2754500000e-02 -8.8035000000e-03 -5.3550000000e-04  9.5840000000e-03  2.9589000000e-03 -1.0722000000e-03 -1.8652000000e-03  9.1090000000e-04 -1.6774000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3090600000e-01  3.7011100000e-01 -8.5201600000e-01  1.6204900000e-01  7.0951400000e-01  6.2174100000e-01  2.4349400000e-01  1.3734800000e+00  2.2646820000e+00 -6.8080700000e-01  1.6222260000e+00  2.2696090000e+00  3.1834700000e-01  7.1445300000e-01  2.9548350000e+00
+ENERGY -1.526592892756e+02
+FORCES  3.8812000000e-03  7.9359000000e-03  1.1994600000e-02 -4.5340000000e-04  1.0199000000e-03  4.4391000000e-03 -5.1058000000e-03 -2.7741000000e-03 -9.6235000000e-03 -2.5362000000e-03 -8.2102000000e-03 -1.6517000000e-03  5.5375000000e-03 -2.3337000000e-03 -2.7068000000e-03 -1.3232000000e-03  4.3622000000e-03 -2.4517000000e-03
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5051300000e-01 -6.5611100000e-01 -6.5038000000e-01 -5.7739100000e-01  7.4329700000e-01 -1.7424500000e-01 -3.4268880000e+00 -1.2444500000e+00  2.9439400000e-01 -2.8709780000e+00 -7.8582100000e-01  9.2435800000e-01 -3.3829050000e+00 -7.0976600000e-01 -4.9833000000e-01
+ENERGY -1.526546169652e+02
+FORCES -1.5786000000e-03 -1.8030000000e-04 -4.4018000000e-03  8.5870000000e-04  3.7876000000e-03  2.8257000000e-03  1.1248000000e-03 -3.8421000000e-03  1.4077000000e-03  2.4987000000e-03  3.8880000000e-03  6.9570000000e-04 -3.7085000000e-03 -1.5563000000e-03 -3.3719000000e-03  8.0480000000e-04 -2.0968000000e-03  2.8446000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6664000000e-02 -3.4124700000e-01  8.9355300000e-01  8.7988600000e-01  3.3955500000e-01 -1.6350900000e-01 -1.2193870000e+00 -3.2718480000e+00  1.1164250000e+00 -8.4627700000e-01 -2.5397700000e+00  1.6074270000e+00 -2.0311530000e+00 -2.9241990000e+00  7.4709100000e-01
+ENERGY -1.526526524332e+02
+FORCES  5.0794000000e-03  1.0470000000e-04  2.0641000000e-03 -1.6059000000e-03 -1.5100000000e-05 -2.6905000000e-03 -3.9047000000e-03 -1.2622000000e-03  7.7610000000e-04 -2.2489000000e-03  4.8103000000e-03 -1.1895000000e-03 -4.1490000000e-04 -1.5422000000e-03 -1.3378000000e-03  3.0950000000e-03 -2.0954000000e-03  2.3777000000e-03
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8919400000e-01 -8.9085000000e-02  3.4297300000e-01  4.6375400000e-01  5.0912900000e-01  6.6479500000e-01  1.8754940000e+00 -1.8721240000e+00  6.0845300000e-01  1.4937680000e+00 -2.6281430000e+00  1.0544940000e+00  1.1243920000e+00 -1.3262250000e+00  3.7591700000e-01
+ENERGY -1.526592217791e+02
+FORCES  7.5560000000e-04  2.4860000000e-04  3.8083000000e-03  5.3860000000e-03 -1.3600000000e-04 -8.9450000000e-04 -2.2279000000e-03 -6.5580000000e-03 -3.5270000000e-03 -1.2140700000e-02  6.7813000000e-03 -4.6410000000e-03 -3.0490000000e-04  3.1955000000e-03 -1.3495000000e-03  8.5319000000e-03 -3.5314000000e-03  6.6036000000e-03
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2645800000e-01 -4.3400000000e-01  2.1176200000e-01  6.4304700000e-01 -7.0850800000e-01 -2.7186000000e-02  5.3826300000e-01  1.4199900000e+00  2.1938430000e+00  1.1991990000e+00  2.1104110000e+00  2.2459320000e+00  6.2049500000e-01  1.0756460000e+00  1.3045200000e+00
+ENERGY -1.526595845739e+02
+FORCES -2.9820000000e-03 -8.8030000000e-04  7.6003000000e-03  4.6513000000e-03  6.5940000000e-04 -2.3704000000e-03 -2.6530000000e-03  4.8350000000e-03  1.5355000000e-03 -2.9822000000e-03 -5.8987000000e-03 -1.2372800000e-02 -1.6111000000e-03 -3.3885000000e-03 -2.7529000000e-03  5.5770000000e-03  4.6731000000e-03  8.3603000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5390300000e-01 -1.9519000000e-02 -7.6935000000e-02 -1.8435000000e-01 -4.6257900000e-01  8.1747600000e-01 -2.6886700000e-01 -1.7259120000e+00 -2.2277800000e+00 -2.7919500000e-01 -1.3575470000e+00 -1.3443590000e+00 -4.1477700000e-01 -9.7468500000e-01 -2.8027590000e+00
+ENERGY -1.526599389659e+02
+FORCES  3.6900000000e-03  2.2100000000e-05  1.9940000000e-03 -6.0282000000e-03 -1.2401000000e-03 -2.6840000000e-04  1.2026000000e-03  7.7490000000e-04 -5.9796000000e-03 -1.5499000000e-03  1.1076200000e-02  8.3786000000e-03  1.5697000000e-03 -8.0306000000e-03 -4.7328000000e-03  1.1157000000e-03 -2.6025000000e-03  6.0820000000e-04
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6703700000e-01  3.2832400000e-01  8.8347800000e-01 -4.5301200000e-01 -8.4258700000e-01 -3.2535000000e-02  1.0147360000e+00 -2.4704400000e+00  2.2887420000e+00  7.2275300000e-01 -3.2046990000e+00  2.8289670000e+00  1.0385390000e+00 -2.8218830000e+00  1.3987130000e+00
+ENERGY -1.526552945665e+02
+FORCES -2.1069000000e-03 -2.2241000000e-03  5.8383000000e-03 -1.9350000000e-04  1.4410000000e-04 -4.5903000000e-03  2.1040000000e-03  2.4250000000e-03 -1.2513000000e-03  8.8010000000e-04 -4.9918000000e-03 -1.3793000000e-03  9.4510000000e-04  3.4271000000e-03 -2.5363000000e-03 -1.6286000000e-03  1.2198000000e-03  3.9190000000e-03
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8678300000e-01  5.0110100000e-01  2.1471300000e-01  1.5423600000e-01 -5.4644700000e-01  7.7061000000e-01 -5.7917900000e-01 -1.1166380000e+00  2.4922630000e+00 -8.9195800000e-01 -5.7475600000e-01  3.2166690000e+00 -1.7419000000e-02 -1.7711560000e+00  2.9073090000e+00
+ENERGY -1.526584782446e+02
+FORCES -6.0374000000e-03 -4.0005000000e-03  1.2872100000e-02  1.8630000000e-03  4.9830000000e-04 -1.8384000000e-03  4.7527000000e-03  1.3730000000e-04 -6.2370000000e-03  2.7870000000e-04  2.4464000000e-03  1.3629000000e-03  1.2289000000e-03 -3.2208000000e-03 -3.2517000000e-03 -2.0860000000e-03  4.1394000000e-03 -2.9078000000e-03
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8422000000e-02 -3.8481500000e-01 -8.7598000000e-01 -9.1340700000e-01  2.0133700000e-01  2.0342900000e-01 -2.5935830000e+00  3.5189200000e-01  9.8479800000e-01 -2.9141350000e+00 -4.0075300000e-01  1.4817920000e+00 -3.3861460000e+00  7.8879100000e-01  6.7303800000e-01
+ENERGY -1.526612605612e+02
+FORCES -1.1105700000e-02  1.2295000000e-03  1.6100000000e-03 -8.3130000000e-04  1.1573000000e-03  2.6757000000e-03  9.2391000000e-03 -1.6829000000e-03 -3.6905000000e-03 -5.8380000000e-04 -1.7843000000e-03  4.7640000000e-04  8.9100000000e-05  4.2008000000e-03 -2.9100000000e-03  3.1926000000e-03 -3.1205000000e-03  1.8384000000e-03
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0353800000e-01  7.1787000000e-01 -1.9140900000e-01 -1.4250000000e-01 -1.9270900000e-01  9.2670900000e-01 -5.4855000000e-01 -1.5921730000e+00 -2.3980160000e+00 -6.5603400000e-01 -1.1788220000e+00 -1.5413830000e+00  3.8682800000e-01 -1.7873500000e+00 -2.4546340000e+00
+ENERGY -1.526603987053e+02
+FORCES -1.1337000000e-03  3.2117000000e-03  3.4815000000e-03  2.2107000000e-03 -5.5787000000e-03  5.7890000000e-04  3.8240000000e-04  1.2397000000e-03 -4.8187000000e-03  6.0100000000e-03  4.0000000000e-03  9.0441000000e-03 -4.6629000000e-03 -2.4667000000e-03 -7.1179000000e-03 -2.8065000000e-03 -4.0600000000e-04 -1.1679000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7354600000e-01  6.7443400000e-01 -6.5669800000e-01 -7.4689200000e-01 -5.9521000000e-01 -6.4099000000e-02 -6.8299500000e-01  1.3004400000e+00  2.2987120000e+00 -2.1748400000e-01  8.2574000000e-01  1.6100970000e+00  9.4920000000e-03  1.7010080000e+00  2.8242970000e+00
+ENERGY -1.526613083073e+02
+FORCES -5.9915000000e-03  2.4732000000e-03  1.6000000000e-04  7.5720000000e-04 -3.6200000000e-03  3.6770000000e-03  3.9172000000e-03  3.7648000000e-03  2.2610000000e-04  5.6851000000e-03 -6.5679000000e-03 -1.0088900000e-02 -3.3195000000e-03  5.6928000000e-03  9.3628000000e-03 -1.0486000000e-03 -1.7429000000e-03 -3.3370000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0664000000e-02 -4.1574500000e-01 -8.5742000000e-01 -7.3588900000e-01  6.0348200000e-01 -1.0251300000e-01 -5.2868000000e-01 -1.5264460000e+00  2.1798170000e+00 -2.5614100000e-01 -9.0815200000e-01  2.8578050000e+00 -5.2169200000e-01 -1.0143310000e+00  1.3711630000e+00
+ENERGY -1.526593323796e+02
+FORCES -7.1400000000e-04 -2.8230000000e-03 -3.1850000000e-04 -1.4380000000e-03  2.8687000000e-03  4.4966000000e-03  3.4534000000e-03 -5.0762000000e-03  2.1706000000e-03  5.6024000000e-03  1.0238800000e-02 -1.1459400000e-02 -1.3133000000e-03 -1.1454000000e-03 -1.9994000000e-03 -5.5905000000e-03 -4.0630000000e-03  7.1101000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4325500000e-01  5.9061400000e-01  5.2180500000e-01 -7.5268800000e-01 -1.9104800000e-01  5.5963700000e-01  2.6311330000e+00 -1.9384690000e+00  3.8423700000e-01  2.5122680000e+00 -1.2719760000e+00  1.0609120000e+00  3.3995510000e+00 -2.4338700000e+00  6.6768500000e-01
+ENERGY -1.526517978537e+02
+FORCES -1.3868000000e-03  1.1377000000e-03  3.3046000000e-03 -1.2567000000e-03 -3.4335000000e-03 -1.3333000000e-03  3.3878000000e-03  9.2680000000e-04 -2.2645000000e-03  1.5626000000e-03  1.2619000000e-03  3.6728000000e-03  1.4367000000e-03 -1.9646000000e-03 -1.9280000000e-03 -3.7437000000e-03  2.0716000000e-03 -1.4517000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0345100000e-01  2.3628300000e-01  8.7653900000e-01  3.5535000000e-02  8.3097100000e-01 -4.7376900000e-01  2.2855100000e-01  2.5590830000e+00 -1.5542510000e+00  1.1012070000e+00  2.4110300000e+00 -1.9186470000e+00 -2.8397400000e-01  2.8971420000e+00 -2.2885990000e+00
+ENERGY -1.526617911439e+02
+FORCES -1.5496000000e-03  8.5730000000e-03 -1.4928000000e-03  8.7090000000e-04 -7.3150000000e-04 -2.7452000000e-03  1.8886000000e-03 -8.9422000000e-03  4.8275000000e-03  4.6910000000e-04  2.0401000000e-03 -5.5672000000e-03 -5.0690000000e-03 -4.5600000000e-05  2.0129000000e-03  3.3900000000e-03 -8.9390000000e-04  2.9648000000e-03
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6534800000e-01 -5.4487000000e-01  7.4090400000e-01  6.0120200000e-01  7.4451100000e-01  2.2160000000e-02 -1.0854890000e+00  2.1956870000e+00 -2.6023330000e+00 -1.2047950000e+00  2.4833800000e+00 -1.6972200000e+00 -1.3706000000e-01  2.1972260000e+00 -2.7316050000e+00
+ENERGY -1.526530116603e+02
+FORCES  3.7624000000e-03 -3.9830000000e-04  3.4411000000e-03 -1.2178000000e-03  2.4056000000e-03 -3.3877000000e-03 -3.0641000000e-03 -2.1086000000e-03 -7.0080000000e-04  2.7260000000e-03 -8.0340000000e-04  3.8359000000e-03  1.2335000000e-03  2.2980000000e-04 -4.0143000000e-03 -3.4399000000e-03  6.7490000000e-04  8.2580000000e-04
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5991700000e-01  6.8211600000e-01 -6.5220900000e-01 -5.5857800000e-01  4.1974500000e-01  6.5424500000e-01 -2.4267790000e+00  8.0930200000e-01  9.9881300000e-01 -2.7094920000e+00  1.4131930000e+00  3.1206700000e-01 -2.9563270000e+00  2.3971000000e-02  8.6072900000e-01
+ENERGY -1.526580191211e+02
+FORCES -1.1461300000e-02  6.6989000000e-03  4.6411000000e-03 -1.5421000000e-03 -1.7915000000e-03  1.7706000000e-03  8.2886000000e-03 -1.8926000000e-03 -2.7598000000e-03  1.1069000000e-03 -4.8537000000e-03 -7.3427000000e-03  2.1824000000e-03 -2.7338000000e-03  2.8582000000e-03  1.4255000000e-03  4.5728000000e-03  8.3260000000e-04
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3323200000e-01 -3.3100100000e-01 -8.3404200000e-01  7.0689900000e-01  5.4844300000e-01  3.4020100000e-01 -6.5486000000e-02 -1.0828250000e+00  2.6775790000e+00 -1.9672000000e-02 -3.8541700000e-01  3.3316090000e+00 -1.8157100000e-01 -6.2421700000e-01  1.8454530000e+00
+ENERGY -1.526588293941e+02
+FORCES  4.4467000000e-03 -2.3047000000e-03 -3.2729000000e-03 -8.4790000000e-04  3.1452000000e-03  3.3020000000e-03 -5.0101000000e-03 -4.0075000000e-03  1.1448000000e-03 -2.2118000000e-03  3.4642000000e-03 -7.1496000000e-03  6.1730000000e-04 -1.4091000000e-03 -3.7654000000e-03  3.0059000000e-03  1.1119000000e-03  9.7412000000e-03
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8563700000e-01  2.1404700000e-01  2.9336500000e-01  3.0713200000e-01 -6.5766100000e-01  6.2400600000e-01  3.1543210000e+00 -1.0839210000e+00  3.9969800000e-01  3.4583440000e+00 -1.8797940000e+00  8.3603200000e-01  2.3520240000e+00 -1.3485040000e+00 -5.0354000000e-02
+ENERGY -1.526540596510e+02
+FORCES -3.0210000000e-03  6.6400000000e-05  5.0190000000e-03  3.8400000000e-03 -8.1600000000e-04 -1.0496000000e-03 -5.2540000000e-04  5.8450000000e-04 -5.2355000000e-03 -6.5130000000e-04 -3.6072000000e-03 -2.2675000000e-03 -1.9660000000e-03  3.6497000000e-03 -1.5396000000e-03  2.3236000000e-03  1.2250000000e-04  5.0732000000e-03
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1741600000e-01  4.7430800000e-01 -8.0249300000e-01  8.0121800000e-01 -4.7370900000e-01  2.2334200000e-01  6.4013100000e-01  1.1747570000e+00 -2.2452660000e+00  1.4845780000e+00  1.6246410000e+00 -2.2725610000e+00  6.4146100000e-01  6.1456100000e-01 -3.0214170000e+00
+ENERGY -1.526581970359e+02
+FORCES  6.5064000000e-03  8.4068000000e-03 -1.7301600000e-02 -1.8981000000e-03 -3.7778000000e-03  7.6588000000e-03 -1.3731000000e-03  1.7822000000e-03 -1.6542000000e-03 -7.4840000000e-04 -5.9875000000e-03  7.4020000000e-03 -4.0761000000e-03 -3.8855000000e-03 -2.5760000000e-04  1.5892000000e-03  3.4617000000e-03  4.1525000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5987200000e-01 -2.6137000000e-01 -5.2010800000e-01 -5.4814800000e-01  4.9573200000e-01 -6.0828900000e-01 -2.3907790000e+00 -1.1237260000e+00 -4.5980700000e-01 -3.0717750000e+00 -1.2102680000e+00  2.0726600000e-01 -1.6293060000e+00 -7.9233500000e-01  1.6188000000e-02
+ENERGY -1.526583731432e+02
+FORCES -2.3719000000e-03 -3.3626000000e-03 -6.6184000000e-03 -3.3919000000e-03  2.6794000000e-03  1.7965000000e-03 -1.1700000000e-05 -6.5838000000e-03  6.0733000000e-03  1.0434200000e-02  1.4057000000e-03  5.1329000000e-03  4.0513000000e-03  1.0949000000e-03 -1.0449000000e-03 -8.7100000000e-03  4.7663000000e-03 -5.3394000000e-03
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1928000000e-01  1.4290000000e-01 -2.2524700000e-01  1.4955000000e-02 -8.6471300000e-01  4.1021900000e-01  2.3798400000e+00 -9.0333700000e-01 -8.1678700000e-01  1.4782130000e+00 -5.8210000000e-01 -8.2717700000e-01  2.5415960000e+00 -1.1934640000e+00 -1.7145030000e+00
+ENERGY -1.526587240810e+02
+FORCES  1.0562000000e-03 -2.7727000000e-03  4.8300000000e-04  4.4648000000e-03 -1.6905000000e-03  1.7231000000e-03  1.1622000000e-03  4.9796000000e-03 -6.1178000000e-03 -1.0486800000e-02  6.5379000000e-03 -9.0000000000e-06  6.1384000000e-03 -8.5212000000e-03  1.2288000000e-03 -2.3348000000e-03  1.4670000000e-03  2.6918000000e-03
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0854100000e-01 -2.8051500000e-01  1.0998300000e-01 -3.3325200000e-01  8.9618000000e-02  8.9282900000e-01 -1.6004960000e+00  3.2100270000e+00  1.5619290000e+00 -2.4670810000e+00  2.9683120000e+00  1.2350710000e+00 -1.7526920000e+00  3.9955110000e+00  2.0873660000e+00
+ENERGY -1.526548738882e+02
+FORCES  2.4410000000e-03  8.5460000000e-04  4.7081000000e-03 -3.4912000000e-03  7.8930000000e-04 -5.4490000000e-04  1.1623000000e-03 -2.1673000000e-03 -3.9744000000e-03 -4.3403000000e-03  3.0011000000e-03 -7.0100000000e-05  3.5533000000e-03  8.1730000000e-04  2.0690000000e-03  6.7490000000e-04 -3.2950000000e-03 -2.1878000000e-03
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3870200000e-01 -1.7787300000e-01 -4.2564300000e-01 -1.3280600000e-01  8.3241700000e-01  4.5351600000e-01  2.4705140000e+00  6.0321200000e-01 -9.2134500000e-01  1.5247640000e+00  4.5564900000e-01 -9.1749800000e-01  2.6542040000e+00  9.5999600000e-01 -1.7903640000e+00
+ENERGY -1.526594349414e+02
+FORCES -1.3200000000e-05  2.0510000000e-03  1.5813000000e-03  4.7290000000e-03  1.8687000000e-03  1.7420000000e-03  8.3060000000e-04 -4.3272000000e-03 -4.5613000000e-03 -1.1324900000e-02 -4.0253000000e-03  1.9734000000e-03  8.6863000000e-03  5.8818000000e-03 -3.5111000000e-03 -2.9077000000e-03 -1.4490000000e-03  2.7758000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8999000000e-02  6.7586900000e-01  6.7669200000e-01  2.7024100000e-01  4.4739700000e-01 -8.0189600000e-01  4.1586000000e-01  1.2071780000e+00 -2.4797310000e+00  8.1849100000e-01  7.9746700000e-01 -3.2454060000e+00 -2.9523200000e-01  1.7384690000e+00 -2.8379340000e+00
+ENERGY -1.526613514029e+02
+FORCES  2.6352000000e-03  6.6135000000e-03 -9.2896000000e-03 -4.2090000000e-04 -1.2588000000e-03 -2.8197000000e-03 -9.1390000000e-04 -3.7709000000e-03  9.3130000000e-03 -2.6853000000e-03 -2.0643000000e-03 -5.8790000000e-04 -2.7387000000e-03  2.7988000000e-03  2.8121000000e-03  4.1235000000e-03 -2.3184000000e-03  5.7220000000e-04
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6332800000e-01 -5.5040200000e-01  1.7498700000e-01  3.6747300000e-01  8.5027800000e-01 -2.4129600000e-01 -2.5194320000e+00  6.5617900000e-01  5.9800600000e-01 -1.5899740000e+00  4.2838200000e-01  5.7686600000e-01 -2.6447480000e+00  1.0742270000e+00  1.4499240000e+00
+ENERGY -1.526592755653e+02
+FORCES -3.0698000000e-03  5.0880000000e-04  1.1519000000e-03 -2.4930000000e-03  4.0880000000e-03 -1.8148000000e-03 -2.2037000000e-03 -4.7466000000e-03  2.9777000000e-03  1.2539000000e-02 -4.9549000000e-03 -7.1030000000e-04 -7.0342000000e-03  6.4320000000e-03  1.0186000000e-03  2.2617000000e-03 -1.3273000000e-03 -2.6231000000e-03
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1334300000e-01 -6.2377800000e-01 -6.5494200000e-01 -7.8049400000e-01  2.3193000000e-01  5.0325900000e-01 -1.3595880000e+00 -1.8374000000e+00 -1.4628020000e+00 -1.8826590000e+00 -1.1634820000e+00 -1.8969270000e+00 -1.1577910000e+00 -2.4673330000e+00 -2.1546790000e+00
+ENERGY -1.526583293292e+02
+FORCES -8.1142000000e-03 -1.2098400000e-02 -5.2868000000e-03  1.6483000000e-03  9.0515000000e-03  1.4831000000e-03  1.5962000000e-03  9.0000000000e-07 -2.3534000000e-03  1.4250000000e-03  1.4636000000e-03 -8.8820000000e-04  5.2444000000e-03 -2.3719000000e-03  3.9366000000e-03 -1.7996000000e-03  3.9543000000e-03  3.1086000000e-03
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9781700000e-01  8.0602000000e-01 -4.7689900000e-01  8.5621800000e-01 -3.4682100000e-01  2.5067400000e-01 -2.7112200000e-01  2.4689430000e+00 -1.6208330000e+00 -4.2726000000e-01  1.9028190000e+00 -2.3767150000e+00 -1.0938510000e+00  2.9436530000e+00 -1.5025200000e+00
+ENERGY -1.526609759257e+02
+FORCES  2.3486000000e-03  6.9207000000e-03 -2.0284000000e-03  1.2935000000e-03 -1.0237700000e-02  2.4337000000e-03 -2.6889000000e-03  1.9879000000e-03 -1.5791000000e-03 -6.3229000000e-03  1.2770000000e-03 -2.1969000000e-03  1.5774000000e-03  1.8822000000e-03  5.2085000000e-03  3.7924000000e-03 -1.8302000000e-03 -1.8378000000e-03
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1138600000e-01  3.3159500000e-01 -3.8461500000e-01 -2.7521300000e-01 -7.4259800000e-01  5.3762200000e-01 -2.0962470000e+00  1.6681920000e+00 -1.3654570000e+00 -1.9285080000e+00  2.2951020000e+00 -6.6183800000e-01 -2.1712230000e+00  2.2063140000e+00 -2.1535150000e+00
+ENERGY -1.526604231443e+02
+FORCES -6.0220000000e-03 -1.1370000000e-04 -3.3665000000e-03  5.7290000000e-03 -2.5875000000e-03  7.5971000000e-03  3.3790000000e-04  2.9471000000e-03 -1.9976000000e-03  7.8880000000e-04  5.5321000000e-03 -3.1014000000e-03 -3.2450000000e-04 -4.7015000000e-03 -3.2557000000e-03 -5.0920000000e-04 -1.0765000000e-03  4.1241000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1243300000e-01  4.1511600000e-01  2.8959000000e-01  6.7425700000e-01  6.6316000000e-01  1.4774300000e-01 -2.5539830000e+00  2.9084800000e-01  6.8014500000e-01 -3.3223210000e+00  6.7488400000e-01  2.5776600000e-01 -2.9130310000e+00 -2.6478700000e-01  1.3719450000e+00
+ENERGY -1.526595628815e+02
+FORCES -1.1842500000e-02  2.3585000000e-03  3.2448000000e-03  9.1098000000e-03  6.8390000000e-04 -1.5267000000e-03 -4.0832000000e-03 -1.0734000000e-03  1.7310000000e-04  4.1608000000e-03 -3.0495000000e-03 -1.1746000000e-03  2.9137000000e-03 -2.3343000000e-03  2.8931000000e-03 -2.5860000000e-04  3.4149000000e-03 -3.6097000000e-03
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6849900000e-01 -4.6458500000e-01 -5.0348900000e-01  3.8296400000e-01 -6.7013000000e-01  5.6612400000e-01  4.1625000000e-01  2.0942130000e+00  1.4792290000e+00  1.0845500000e-01  1.3257110000e+00  9.9871000000e-01  1.2793200000e+00  2.2790420000e+00  1.1088500000e+00
+ENERGY -1.526576308333e+02
+FORCES -5.2380000000e-04  7.0704000000e-03  5.5708000000e-03  4.5431000000e-03  7.9180000000e-04  3.1522000000e-03 -2.8776000000e-03  5.1152000000e-03 -2.7661000000e-03 -2.8617000000e-03 -1.3589100000e-02 -1.4151600000e-02  3.4341000000e-03  1.7806000000e-03  6.8720000000e-03 -1.7142000000e-03 -1.1689000000e-03  1.3226000000e-03
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8105500000e-01 -7.2757600000e-01  2.2190100000e-01  6.1532000000e-02  5.9321100000e-01  7.4869700000e-01  7.5719800000e-01  6.3146800000e-01 -2.5553820000e+00  3.2205800000e-01  2.4577900000e-01 -1.7950350000e+00  8.4824700000e-01 -9.3857000000e-02 -3.1733190000e+00
+ENERGY -1.526593434929e+02
+FORCES  4.6631000000e-03  4.1481000000e-03 -4.7340000000e-04 -2.9741000000e-03  3.6130000000e-03 -2.3040000000e-03  7.3000000000e-05 -4.3553000000e-03 -1.9786000000e-03 -4.7131000000e-03 -2.7580000000e-03  1.0352300000e-02  3.3759000000e-03 -1.7212000000e-03 -9.6899000000e-03 -4.2480000000e-04  1.0733000000e-03  4.0937000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2504000000e-02  5.5606600000e-01  7.7901600000e-01  5.9923000000e-01 -7.1705300000e-01  2.0733900000e-01  1.7646020000e+00 -1.8212030000e+00  1.0319770000e+00  1.7795450000e+00 -2.6002830000e+00  1.5878930000e+00  2.5425700000e+00 -1.9048530000e+00  4.8061500000e-01
+ENERGY -1.526601152754e+02
+FORCES  8.2873000000e-03 -8.1869000000e-03  8.6776000000e-03 -6.2000000000e-04 -8.7560000000e-04 -2.1160000000e-03 -2.3275000000e-03  5.3657000000e-03 -5.8631000000e-03 -2.4625000000e-03 -1.4650000000e-04 -6.9320000000e-04  2.0035000000e-03  3.6959000000e-03 -2.7584000000e-03 -4.8808000000e-03  1.4750000000e-04  2.7531000000e-03
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6607100000e-01  4.1377300000e-01  8.2111500000e-01 -7.6035200000e-01 -5.1733200000e-01 -2.6545000000e-01  2.7571100000e+00 -9.5370000000e-01 -1.5009890000e+00  2.9493220000e+00 -1.6215780000e+00 -8.4279100000e-01  1.9532420000e+00 -1.2569580000e+00 -1.9229630000e+00
+ENERGY -1.526529896798e+02
+FORCES -3.7808000000e-03  1.0720000000e-03  3.0216000000e-03  1.1375000000e-03 -2.0139000000e-03 -3.5204000000e-03  4.2742000000e-03  1.4986000000e-03  3.1300000000e-04 -5.6780000000e-03 -2.1658000000e-03  3.2803000000e-03  2.5250000000e-04  1.9369000000e-03 -2.8969000000e-03  3.7946000000e-03 -3.2790000000e-04 -1.9760000000e-04
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2542000000e-02  6.0722000000e-02  9.5519000000e-01  9.1708300000e-01 -1.2381600000e-01 -2.4466300000e-01  2.6493490000e+00 -3.1068400000e-01 -5.9102400000e-01  2.8043170000e+00  1.8126700000e-01 -1.3973740000e+00  2.6388060000e+00  3.5420700000e-01  9.7481000000e-02
+ENERGY -1.526560003140e+02
+FORCES  1.3799900000e-02 -5.2921000000e-03 -2.4817000000e-03  2.4212000000e-03  6.1290000000e-04 -3.3837000000e-03 -5.7581000000e-03  7.9307000000e-03  5.6557000000e-03 -1.2354000000e-03  4.6909000000e-03 -1.0392000000e-03 -1.9983000000e-03 -2.5894000000e-03  5.1534000000e-03 -7.2294000000e-03 -5.3529000000e-03 -3.9045000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9023000000e-02 -3.9176400000e-01  8.7315000000e-01  9.2792500000e-01  1.9536000000e-02 -2.3410700000e-01 -2.8601450000e+00 -1.3791480000e+00 -1.7812000000e-02 -2.2910930000e+00 -2.0627820000e+00  3.3582000000e-01 -3.5618130000e+00 -1.8563180000e+00 -4.6075800000e-01
+ENERGY -1.526517881794e+02
+FORCES  2.6886000000e-03 -6.9660000000e-04  3.0941000000e-03  3.2110000000e-04  3.7560000000e-04 -3.8505000000e-03 -4.4120000000e-03 -2.5350000000e-04  5.7320000000e-04  8.5060000000e-04 -4.3603000000e-03 -1.6402000000e-03 -2.4884000000e-03  2.7167000000e-03  2.0440000000e-04  3.0402000000e-03  2.2182000000e-03  1.6191000000e-03
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0040200000e-01 -3.3304400000e-01  4.0579600000e-01  2.9876800000e-01  4.3421700000e-01 -7.9901500000e-01 -9.1354600000e-01  1.0350200000e+00  2.3196360000e+00 -1.8119470000e+00  1.3389370000e+00  2.4490250000e+00 -8.2894700000e-01  9.3283600000e-01  1.3716730000e+00
+ENERGY -1.526606060408e+02
+FORCES  3.8016000000e-03 -9.8600000000e-05  4.2741000000e-03 -3.6844000000e-03  2.2245000000e-03 -3.7566000000e-03 -1.4299000000e-03 -1.6178000000e-03  4.6010000000e-03  1.7332000000e-03 -4.2901000000e-03 -1.1342500000e-02  2.7914000000e-03 -1.0777000000e-03 -2.5713000000e-03 -3.2119000000e-03  4.8597000000e-03  8.7953000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7520700000e-01  6.5198400000e-01 -1.8773200000e-01 -3.9183400000e-01 -5.6682000000e-01  6.6439000000e-01 -2.0468430000e+00  2.0151970000e+00 -5.5064300000e-01 -2.7966360000e+00  1.4852830000e+00 -2.8002900000e-01 -1.8423130000e+00  2.5507500000e+00  2.1589700000e-01
+ENERGY -1.526594869817e+02
+FORCES -8.0351000000e-03  5.7013000000e-03 -1.8569000000e-03  6.3796000000e-03 -7.5823000000e-03  5.3985000000e-03  1.2210000000e-04  2.7628000000e-03 -2.1901000000e-03 -4.2690000000e-03  2.8958000000e-03  2.8001000000e-03  6.0968000000e-03  1.3385000000e-03 -3.4830000000e-04 -2.9440000000e-04 -5.1161000000e-03 -3.8033000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2072300000e-01  7.2805100000e-01 -2.9617000000e-02 -1.6835200000e-01 -4.9175300000e-01 -8.0378400000e-01 -3.1375030000e+00 -1.5436350000e+00  2.4032300000e-01 -2.3905490000e+00 -1.9594440000e+00  6.7089900000e-01 -2.7885670000e+00 -1.2272380000e+00 -5.9296500000e-01
+ENERGY -1.526543028867e+02
+FORCES -2.5284000000e-03  2.8017000000e-03 -3.0277000000e-03  2.9729000000e-03 -3.6248000000e-03 -6.3100000000e-04 -9.6400000000e-04  1.1293000000e-03  3.9663000000e-03  5.8847000000e-03 -4.7940000000e-04 -3.2380000000e-04 -4.3700000000e-03  6.4210000000e-04 -2.3525000000e-03 -9.9520000000e-04 -4.6890000000e-04  2.3686000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1786500000e-01 -4.7446300000e-01 -1.4904100000e-01 -6.8248000000e-01 -6.6587200000e-01 -8.4067000000e-02 -3.6746000000e-02  1.5171470000e+00 -2.3683000000e+00 -3.4218400000e-01  1.1415500000e+00 -1.5425480000e+00  8.9740700000e-01  1.6734350000e+00 -2.2298660000e+00
+ENERGY -1.526589087787e+02
+FORCES  2.5005000000e-03 -4.0001000000e-03 -3.8291000000e-03 -3.9401000000e-03  2.5768000000e-03  7.9400000000e-04  3.4046000000e-03  4.4157000000e-03 -8.7550000000e-04  2.8884000000e-03 -5.3686000000e-03  1.3063400000e-02 -3.0303000000e-03  3.1863000000e-03 -7.7827000000e-03 -1.8231000000e-03 -8.1010000000e-04 -1.3701000000e-03
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1508500000e-01 -6.3233300000e-01  7.1000000000e-02 -3.1146100000e-01  6.4410500000e-01 -6.3588700000e-01 -3.2617710000e+00  1.5086670000e+00  3.8466200000e-01 -3.5691130000e+00  1.2194560000e+00  1.2438070000e+00 -3.7738130000e+00  2.2958180000e+00  1.9908700000e-01
+ENERGY -1.526562417884e+02
+FORCES -6.5682000000e-03  1.5807000000e-03 -2.1412000000e-03  3.6978000000e-03  9.8290000000e-04  1.6890000000e-04  3.3530000000e-03 -2.8578000000e-03  1.3534000000e-03 -3.5559000000e-03  2.6307000000e-03  3.7480000000e-03  8.3180000000e-04  9.4670000000e-04 -3.8896000000e-03  2.2415000000e-03 -3.2832000000e-03  7.6060000000e-04
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5842500000e-01  4.5693700000e-01 -8.0041000000e-01  8.1466200000e-01  4.2574400000e-01  2.6701900000e-01 -9.5059100000e-01  1.4820560000e+00 -1.9163270000e+00 -1.7131200000e+00  9.9935700000e-01 -2.2353610000e+00 -1.3064320000e+00  2.0946310000e+00 -1.2726180000e+00
+ENERGY -1.526579112349e+02
+FORCES -4.5225000000e-03  1.1835700000e-02 -1.7523900000e-02  3.7390000000e-04 -4.7551000000e-03  9.0739000000e-03 -3.1240000000e-03  5.3780000000e-04 -1.4813000000e-03 -5.9950000000e-04 -4.7467000000e-03  9.2456000000e-03  4.8739000000e-03  2.0370000000e-03  3.5783000000e-03  2.9982000000e-03 -4.9088000000e-03 -2.8925000000e-03
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5079700000e-01  1.0812200000e-01  2.2955000000e-02  1.7826600000e-01 -3.7376000000e-01 -8.6299300000e-01  3.8133690000e+00 -1.5180910000e+00  1.9154800000e-01  4.6855060000e+00 -1.9105220000e+00  1.5147700000e-01  3.2131140000e+00 -2.2625950000e+00  1.5105600000e-01
+ENERGY -1.526536085161e+02
+FORCES -2.6932000000e-03 -4.2680000000e-04 -3.7038000000e-03  3.9941000000e-03 -4.8950000000e-04 -6.2000000000e-06 -1.2561000000e-03  9.4070000000e-04  3.6994000000e-03  8.0360000000e-04 -4.5372000000e-03  4.6260000000e-04 -3.6182000000e-03  1.6951000000e-03  1.5130000000e-04  2.7699000000e-03  2.8177000000e-03 -6.0340000000e-04
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6675200000e-01  5.1778000000e-02 -6.8483100000e-01  7.7799300000e-01 -3.3311600000e-01 -4.4720600000e-01  2.6772740000e+00 -7.2408000000e-01 -6.6160400000e-01  2.7785630000e+00 -1.2166520000e+00 -1.4760630000e+00  3.3840410000e+00 -7.8866000000e-02 -6.8187500000e-01
+ENERGY -1.526599322237e+02
+FORCES  8.2469000000e-03 -2.3068000000e-03 -3.4678000000e-03  3.5256000000e-03 -7.2530000000e-04  1.3256000000e-03 -1.0867400000e-02  1.0723000000e-03 -1.7630000000e-04  3.8402000000e-03  2.6847000000e-03 -5.7920000000e-04 -2.2577000000e-03  3.4493000000e-03  3.7997000000e-03 -2.4877000000e-03 -4.1742000000e-03 -9.0210000000e-04
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2127800000e-01  8.7399000000e-02 -6.2317800000e-01  3.4695200000e-01 -5.6416600000e-01  6.9106700000e-01 -2.1495180000e+00 -1.6204790000e+00 -6.1813000000e-01 -2.9225920000e+00 -1.2231190000e+00 -2.1726300000e-01 -1.4404190000e+00 -1.0043000000e+00 -4.3446600000e-01
+ENERGY -1.526613836977e+02
+FORCES  2.0362000000e-03 -3.1258000000e-03 -1.3526000000e-03 -3.1030000000e-03 -9.2160000000e-04  4.0376000000e-03 -2.9286000000e-03  2.4588000000e-03 -4.7816000000e-03  8.4341000000e-03  1.0405200000e-02  2.4964000000e-03  2.9881000000e-03 -6.7270000000e-04 -5.4720000000e-04 -7.4268000000e-03 -8.1440000000e-03  1.4740000000e-04
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5214500000e-01  5.2509000000e-02 -8.3036000000e-02  1.5129900000e-01 -7.7442600000e-01  5.4185300000e-01 -3.5049800000e-01  1.9939620000e+00 -2.3505830000e+00  5.6991400000e-01  1.7611340000e+00 -2.4725030000e+00 -3.9209600000e-01  2.3517550000e+00 -1.4637420000e+00
+ENERGY -1.526564248126e+02
+FORCES -4.3126000000e-03 -3.3203000000e-03  3.7540000000e-04  4.1956000000e-03  3.2030000000e-04  2.4443000000e-03 -7.1220000000e-04  3.1362000000e-03 -2.8675000000e-03  6.0167000000e-03 -2.2766000000e-03  5.4229000000e-03 -3.2151000000e-03  2.4332000000e-03 -1.5469000000e-03 -1.9724000000e-03 -2.9280000000e-04 -3.8281000000e-03
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7755900000e-01 -5.1340000000e-01 -5.6487000000e-01 -5.5821200000e-01  4.8669700000e-01 -6.0643000000e-01 -1.8229500000e-01 -1.2191400000e+00  2.5691860000e+00 -1.9860800000e-01 -4.7631100000e-01  3.1726500000e+00 -1.1181000000e-02 -8.2846900000e-01  1.7122560000e+00
+ENERGY -1.526608103225e+02
+FORCES -2.6927000000e-03 -2.9010000000e-04 -1.8929000000e-03 -3.3512000000e-03  2.4561000000e-03  3.2173000000e-03  3.8515000000e-03 -2.1986000000e-03  1.1939000000e-03 -7.4700000000e-05  7.6453000000e-03 -7.9938000000e-03 -2.3670000000e-04 -2.0602000000e-03 -1.6853000000e-03  2.5037000000e-03 -5.5525000000e-03  7.1609000000e-03
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4249700000e-01  2.8595100000e-01 -9.0230700000e-01  7.2005900000e-01 -6.0549500000e-01  1.7641500000e-01  1.8766060000e+00 -1.8483080000e+00  7.5036100000e-01  1.7426000000e+00 -2.5133660000e+00  1.4256180000e+00  2.7818090000e+00 -1.9742330000e+00  4.6578700000e-01
+ENERGY -1.526605312815e+02
+FORCES  9.1015000000e-03 -8.4610000000e-03  1.6630000000e-03  9.0190000000e-04 -1.4446000000e-03  2.6571000000e-03 -5.8097000000e-03  6.5299000000e-03 -3.3023000000e-03 -2.6438000000e-03  1.2784000000e-03  6.8010000000e-04  2.7959000000e-03  2.4190000000e-03 -3.4499000000e-03 -4.3458000000e-03 -3.2170000000e-04  1.7519000000e-03
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4150000000e-01 -4.7770200000e-01 -7.9354300000e-01  7.2641200000e-01  6.0607700000e-01  1.4570100000e-01 -9.3720500000e-01 -3.1645460000e+00  3.9881700000e-01 -1.3413190000e+00 -3.7989510000e+00 -1.9317300000e-01 -1.0450160000e+00 -3.5465590000e+00  1.2698360000e+00
+ENERGY -1.526534295985e+02
+FORCES  3.4615000000e-03 -1.9641000000e-03 -2.9887000000e-03 -3.9710000000e-04  3.9177000000e-03  2.0149000000e-03 -3.0184000000e-03 -2.6266000000e-03 -1.3450000000e-04 -2.5659000000e-03 -3.4400000000e-03  2.9661000000e-03  2.1048000000e-03  3.2086000000e-03  1.9526000000e-03  4.1520000000e-04  9.0440000000e-04 -3.8105000000e-03
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9837300000e-01  2.7670400000e-01 -1.8053400000e-01  5.0679000000e-02 -4.4163900000e-01  8.4771400000e-01  2.3276340000e+00  8.4026000000e-01 -4.1404300000e-01  3.1116630000e+00  1.1244520000e+00  5.5814000000e-02  2.2884150000e+00  1.4100770000e+00 -1.1821590000e+00
+ENERGY -1.526540919874e+02
+FORCES  2.4369400000e-02  7.0863000000e-03 -7.9890000000e-04 -4.2038000000e-03  3.4280000000e-04 -4.7260000000e-03  1.1229000000e-03  1.4325000000e-03 -1.6328000000e-03 -1.8487100000e-02 -5.4789000000e-03  6.1577000000e-03 -3.1591000000e-03 -1.6010000000e-04 -4.2835000000e-03  3.5760000000e-04 -3.2226000000e-03  5.2835000000e-03
+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1194500000e-01  2.6169400000e-01 -1.2690300000e-01 -2.3992000000e-02 -5.9988900000e-01  7.4551300000e-01 -1.0466600000e+00 -3.3090270000e+00  2.5080300000e-01 -9.4508600000e-01 -4.1030880000e+00 -2.7396400000e-01 -1.0343580000e+00 -3.6170400000e+00  1.1570090000e+00
+ENERGY -1.526551700635e+02
+FORCES -4.8381000000e-03 -4.6859000000e-03  1.6608000000e-03  3.5584000000e-03  3.0840000000e-04  5.6620000000e-04  1.0665000000e-03  4.5586000000e-03 -9.1870000000e-04  7.2610000000e-04 -5.7992000000e-03 -2.9550000000e-04 -8.1500000000e-04  3.0340000000e-03  2.6298000000e-03  3.0200000000e-04  2.5841000000e-03 -3.6426000000e-03
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9645100000e-01 -2.8267600000e-01 -1.8083500000e-01 -1.1410000000e-01  7.8937500000e-01 -5.2924500000e-01  2.5115090000e+00 -7.1701600000e-01 -7.0127900000e-01  3.3073580000e+00 -1.1376610000e+00 -3.7583600000e-01  2.8267280000e+00  8.9560000000e-03 -1.2396400000e+00
+ENERGY -1.526586777720e+02
+FORCES  1.3355700000e-02 -3.4488000000e-03 -3.9677000000e-03 -7.6883000000e-03  4.5720000000e-03  6.9900000000e-05  1.9125000000e-03 -2.2660000000e-03  8.9740000000e-04 -2.5258000000e-03  1.4964000000e-03  2.7169000000e-03 -2.7195000000e-03  3.0194000000e-03 -3.1623000000e-03 -2.3346000000e-03 -3.3731000000e-03  3.4458000000e-03
+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7419600000e-01 -4.6715600000e-01 -7.8918500000e-01 -3.7490100000e-01  8.7538700000e-01 -9.6847000000e-02 -2.8124620000e+00 -1.2968270000e+00  3.3606100000e-01 -1.9577000000e+00 -1.7235990000e+00  3.9504100000e-01 -2.7691670000e+00 -7.8332700000e-01 -4.7058300000e-01
+ENERGY -1.526525282571e+02
+FORCES -3.7497000000e-03  3.4366000000e-03 -2.3185000000e-03 -1.3375000000e-03  3.2480000000e-04  4.4918000000e-03  1.8642000000e-03 -4.0004000000e-03 -5.9650000000e-04  7.3269000000e-03  2.3443000000e-03 -9.0610000000e-04 -4.5260000000e-03 -5.2390000000e-04 -2.5253000000e-03  4.2220000000e-04 -1.5814000000e-03  1.8545000000e-03
+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3910000000e-02  7.6260000000e-01 -5.7239200000e-01 -4.9694500000e-01 -6.3432300000e-01 -5.1663500000e-01  2.1397260000e+00 -1.8330930000e+00  8.1921200000e-01  2.9587130000e+00 -1.6427320000e+00  3.6176900000e-01  1.6292470000e+00 -1.0269780000e+00  7.4290300000e-01
+ENERGY -1.526608397451e+02
+FORCES -2.6940000000e-03 -1.2975000000e-03 -4.8200000000e-03 -1.5200000000e-05 -4.0270000000e-03  2.2144000000e-03  2.0462000000e-03  4.2958000000e-03  1.9104000000e-03 -3.7372000000e-03  7.5785000000e-03 -2.9734000000e-03 -2.9518000000e-03 -1.7520000000e-04  1.0772000000e-03  7.3520000000e-03 -6.3746000000e-03  2.5916000000e-03
+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3022000000e-02 -5.8141100000e-01 -7.5467900000e-01  2.5143800000e-01 -5.7906300000e-01  7.1951200000e-01 -2.6368800000e-01 -1.7609670000e+00 -1.9142780000e+00 -1.1911210000e+00 -1.9762500000e+00 -1.8155170000e+00 -1.6669800000e-01 -1.5362750000e+00 -2.8396630000e+00
+ENERGY -1.526585635290e+02
+FORCES  7.8310000000e-04 -1.4937600000e-02 -1.4372100000e-02 -2.8584000000e-03  5.7482000000e-03  6.8238000000e-03 -1.4456000000e-03  6.5990000000e-04 -2.2798000000e-03 -5.1770000000e-04  6.9008000000e-03  4.4907000000e-03  5.8654000000e-03  2.8447000000e-03  6.8700000000e-05 -1.8268000000e-03 -1.2161000000e-03  5.2686000000e-03
+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8135900000e-01  5.3403100000e-01  1.4325100000e-01  7.1612700000e-01  6.3265900000e-01 -5.6004000000e-02 -2.6481390000e+00  2.2247100000e-01  6.7805000000e-02 -2.6626430000e+00 -1.2029900000e-01  9.6141000000e-01 -2.8399040000e+00 -5.3623300000e-01 -4.8339900000e-01
+ENERGY -1.526587161500e+02
+FORCES -1.1841500000e-02  3.0014000000e-03 -1.0153000000e-03  9.5110000000e-03 -6.3360000000e-04  3.7902000000e-03 -4.9071000000e-03 -7.3390000000e-04  2.5440000000e-04  6.0379000000e-03 -7.9759000000e-03 -1.8038000000e-03  2.2144000000e-03  2.8993000000e-03 -4.5845000000e-03 -1.0146000000e-03  3.4428000000e-03  3.3590000000e-03
+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8273200000e-01  4.1514400000e-01 -7.7291900000e-01  7.2254000000e-01 -4.9099000000e-01  3.9127500000e-01 -1.2711660000e+00 -1.7413630000e+00 -1.6830440000e+00 -1.3147980000e+00 -2.5550350000e+00 -1.1807840000e+00 -8.6985500000e-01 -1.1111930000e+00 -1.0846560000e+00
+ENERGY -1.526588896079e+02
+FORCES  3.3840000000e-03 -2.3020000000e-03 -2.7341000000e-03 -4.2398000000e-03 -5.5578000000e-03  3.4218000000e-03 -4.4657000000e-03  1.8080000000e-03 -2.8906000000e-03  5.3298000000e-03  7.9107000000e-03  1.3054500000e-02  1.0467000000e-03  2.4493000000e-03 -9.0320000000e-04 -1.0550000000e-03 -4.3082000000e-03 -9.9483000000e-03
+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2764300000e-01  2.3010000000e-01  5.2585000000e-02  1.0879700000e-01 -7.0546000000e-01  6.3774700000e-01  2.6230400000e-01 -1.6547130000e+00  2.0199950000e+00  2.4803500000e-01 -1.0449890000e+00  2.7577380000e+00  9.2248100000e-01 -2.3052840000e+00  2.2590670000e+00
+ENERGY -1.526590400015e+02
+FORCES  3.5280000000e-04 -1.3122300000e-02  1.2706400000e-02  2.6699000000e-03 -8.3320000000e-04  1.5744000000e-03 -1.7865000000e-03  7.0012000000e-03 -4.9901000000e-03  1.9053000000e-03  6.6749000000e-03 -5.6205000000e-03  1.4870000000e-04 -3.8632000000e-03 -3.9917000000e-03 -3.2902000000e-03  4.1428000000e-03  3.2160000000e-04
+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1891300000e-01 -7.1233300000e-01 -1.6050000000e-01 -2.6428100000e-01  6.8937300000e-01 -6.0922300000e-01  6.0161000000e-01  2.3277880000e+00 -1.4623590000e+00  1.3105000000e-01  2.7495700000e+00 -2.1813200000e+00  7.5497200000e-01  3.0306220000e+00 -8.3090300000e-01
+ENERGY -1.526590045984e+02
+FORCES  4.5620000000e-04  5.9530000000e-03 -5.9377000000e-03  1.8742000000e-03  3.5833000000e-03 -8.5280000000e-04 -4.1973000000e-03 -7.7533000000e-03  5.0600000000e-03  1.8848000000e-03  4.1586000000e-03  1.5916000000e-03  1.3493000000e-03 -3.0093000000e-03  4.1041000000e-03 -1.3673000000e-03 -2.9323000000e-03 -3.9651000000e-03
+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8692600000e-01 -4.8058000000e-01 -4.6196000000e-01 -4.4090900000e-01  7.7625000000e-01  3.4535000000e-01  1.5848320000e+00 -1.7051270000e+00  1.4918020000e+00  1.2454140000e+00 -2.2044350000e+00  2.2345790000e+00  8.0585900000e-01 -1.3405980000e+00  1.0716210000e+00
+ENERGY -1.526587411104e+02
+FORCES -1.0410000000e-03  2.9482000000e-03  7.1270000000e-04  4.1282000000e-03  1.0414000000e-03  4.7871000000e-03  1.2928000000e-03 -4.2482000000e-03 -2.4157000000e-03 -7.0513000000e-03  6.8082000000e-03 -4.5718000000e-03 -4.4060000000e-04  2.6719000000e-03 -3.0915000000e-03  3.1119000000e-03 -9.2215000000e-03  4.5793000000e-03
+
+JOB 60
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9528400000e-01  8.6732400000e-01 -2.7710700000e-01  7.7010600000e-01 -3.9706000000e-01  4.0683200000e-01 -2.7762410000e+00  8.8340200000e-01  7.1200800000e-01 -1.9142940000e+00  4.7022900000e-01  7.6268400000e-01 -2.7710750000e+00  1.3474810000e+00 -1.2515100000e-01
+ENERGY -1.526599716109e+02
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+
+JOB 61
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1936700000e-01 -2.4403700000e-01 -4.3048300000e-01 -5.8257400000e-01 -7.4381200000e-01 -1.5356800000e-01 -6.2605900000e-01  1.3369170000e+00  2.1265740000e+00 -2.2113100000e-01  6.6869800000e-01  1.5736300000e+00  1.0809600000e-01  1.7477860000e+00  2.5831220000e+00
+ENERGY -1.526567682232e+02
+FORCES -2.3232000000e-03  3.4667000000e-03  5.5652000000e-03 -4.6387000000e-03  1.0290000000e-03  2.4556000000e-03  4.2139000000e-03  3.9516000000e-03  1.4547000000e-03  6.2042000000e-03 -8.1018000000e-03 -1.4573100000e-02 -2.5529000000e-03  1.7337000000e-03  8.0336000000e-03 -9.0330000000e-04 -2.0792000000e-03 -2.9361000000e-03
+
+JOB 62
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1348300000e-01  5.1307600000e-01  6.9427400000e-01  5.4299400000e-01 -6.3751300000e-01  4.6364400000e-01 -1.5963850000e+00 -1.5307590000e+00 -1.5303460000e+00 -1.3306520000e+00 -8.9805500000e-01 -8.6303500000e-01 -2.3721560000e+00 -1.1419150000e+00 -1.9343420000e+00
+ENERGY -1.526585540771e+02
+FORCES  1.4547000000e-03 -4.4895000000e-03  2.2300000000e-04  1.6800000000e-05 -4.2330000000e-03 -4.8851000000e-03 -3.6285000000e-03  4.1001000000e-03 -1.6736000000e-03  7.8744000000e-03  9.6614000000e-03  6.7496000000e-03 -8.6910000000e-03 -5.5953000000e-03 -3.1589000000e-03  2.9735000000e-03  5.5640000000e-04  2.7449000000e-03
+
+JOB 63
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6664200000e-01  2.7552100000e-01 -7.2058100000e-01 -7.0429900000e-01 -4.9128200000e-01 -4.2289200000e-01  7.4188700000e-01  7.1929400000e-01 -2.4344140000e+00  5.4174100000e-01  2.1876400000e-01 -3.2253900000e+00  1.5647000000e-02  1.3372720000e+00 -2.3512840000e+00
+ENERGY -1.526563763376e+02
+FORCES  5.1424000000e-03  2.5840000000e-04 -1.8244500000e-02 -2.9761000000e-03  3.6692000000e-03  6.2768000000e-03  3.8270000000e-04  1.7115000000e-03  1.2172000000e-03 -5.4562000000e-03 -3.4975000000e-03  5.7477000000e-03 -8.4130000000e-04  3.1343000000e-03  4.0354000000e-03  3.7485000000e-03 -5.2759000000e-03  9.6740000000e-04
+
+JOB 64
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6765600000e-01  4.0263400000e-01  4.0598300000e-01 -2.8933600000e-01  6.3841200000e-01 -6.5187900000e-01 -1.5346460000e+00  2.3927990000e+00  1.8894560000e+00 -1.7490510000e+00  1.5954290000e+00  2.3736710000e+00 -1.7797390000e+00  2.1975500000e+00  9.8500100000e-01
+ENERGY -1.526555324943e+02
+FORCES  3.6955000000e-03  4.9489000000e-03 -4.3440000000e-04 -2.9605000000e-03 -2.6159000000e-03 -2.3243000000e-03 -4.5900000000e-04 -2.2139000000e-03  3.2552000000e-03 -1.8628000000e-03 -6.7697000000e-03 -1.9373000000e-03  3.7560000000e-04  4.2975000000e-03 -7.2490000000e-04  1.2111000000e-03  2.3532000000e-03  2.1657000000e-03
+
+JOB 65
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6583800000e-01  2.2494400000e-01  5.2832300000e-01  2.9237600000e-01 -7.2773300000e-01 -5.4877300000e-01 -1.9835000000e-02 -2.1094430000e+00 -1.6441390000e+00  4.7849900000e-01 -2.9141560000e+00 -1.7867330000e+00 -3.3176200000e-01 -1.8628590000e+00 -2.5148450000e+00
+ENERGY -1.526596541333e+02
+FORCES  1.3136000000e-03 -1.0906200000e-02 -7.1143000000e-03 -1.6165000000e-03 -2.6114000000e-03 -2.4921000000e-03  1.1647000000e-03  8.5000000000e-03  5.0209000000e-03 -7.9560000000e-04  3.1525000000e-03  4.3260000000e-04 -2.5200000000e-03  4.2411000000e-03 -3.2400000000e-05  2.4538000000e-03 -2.3760000000e-03  4.1852000000e-03
+
+JOB 66
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8055500000e-01  5.8293000000e-01 -3.3655500000e-01 -3.4608300000e-01 -3.1630900000e-01  8.3451000000e-01  7.3848600000e-01 -1.0156930000e+00 -2.3986460000e+00  4.4824400000e-01 -8.4926100000e-01 -1.5018230000e+00  1.6860500000e+00 -1.1305570000e+00 -2.3268100000e+00
+ENERGY -1.526606446765e+02
+FORCES -1.7145000000e-03 -4.4960000000e-04 -2.8806000000e-03  3.3853000000e-03 -4.6647000000e-03  2.1352000000e-03  1.1897000000e-03  2.4840000000e-03 -4.3304000000e-03 -5.0690000000e-04  4.1492000000e-03  1.4143800000e-02  2.2330000000e-04 -1.6297000000e-03 -9.3131000000e-03 -2.5769000000e-03  1.1090000000e-04  2.4520000000e-04
+
+JOB 67
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4454500000e-01 -1.4633500000e-01 -5.1504000000e-02 -1.8111200000e-01  6.4229300000e-01 -6.8621400000e-01 -4.6328800000e-01  1.6845710000e+00 -2.0556420000e+00 -1.0021560000e+00  2.4713940000e+00 -2.1378740000e+00  4.1696600000e-01  1.9698760000e+00 -2.3005640000e+00
+ENERGY -1.526587067876e+02
+FORCES -2.3298000000e-03  9.3225000000e-03 -1.1911200000e-02 -2.5452000000e-03  1.7907000000e-03 -1.2772000000e-03  4.9203000000e-03 -5.5727000000e-03  6.5704000000e-03  5.3540000000e-04  1.0330000000e-04  4.1514000000e-03  3.9229000000e-03 -3.4938000000e-03 -6.4770000000e-04 -4.5036000000e-03 -2.1499000000e-03  3.1143000000e-03
+
+JOB 68
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7212800000e-01  2.2014800000e-01  5.2113800000e-01  1.5970900000e-01  7.7876700000e-01 -5.3314800000e-01  1.9070580000e+00 -2.0759830000e+00  3.1272700000e-01  2.6956670000e+00 -1.5609660000e+00  1.4218100000e-01  1.2002450000e+00 -1.4310360000e+00  3.3897000000e-01
+ENERGY -1.526606477374e+02
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+
+JOB 69
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0418000000e-02  2.9481500000e-01 -9.0794100000e-01  9.3626000000e-02  8.0616200000e-01  5.0751200000e-01  1.5610170000e+00 -2.0671230000e+00  5.5637300000e-01  1.0285870000e+00 -1.2739270000e+00  4.9646100000e-01  2.4448840000e+00 -1.7808370000e+00  3.2604600000e-01
+ENERGY -1.526587156862e+02
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+
+JOB 70
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6336900000e-01  5.3153100000e-01  7.5122800000e-01 -9.3475900000e-01  1.7790800000e-01 -1.0395400000e-01  1.1418200000e-01  9.2917000000e-01 -2.7887430000e+00  1.6055400000e-01  2.1813800000e-01 -2.1495910000e+00 -7.1486400000e-01  1.3685000000e+00 -2.5992630000e+00
+ENERGY -1.526561001488e+02
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+
+JOB 71
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+ENERGY -1.526590106632e+02
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+
+JOB 72
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+ENERGY -1.526544067729e+02
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+
+JOB 73
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+ENERGY -1.526607785507e+02
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+
+JOB 74
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+ENERGY -1.526565130468e+02
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+
+JOB 75
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+ENERGY -1.526611856128e+02
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+JOB 76
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+ENERGY -1.526608238712e+02
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+
+JOB 77
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+ENERGY -1.526586164827e+02
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+JOB 78
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+ENERGY -1.526516640911e+02
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+JOB 79
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+ENERGY -1.526566268132e+02
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+JOB 80
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+ENERGY -1.526597917771e+02
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+
+JOB 81
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+
+JOB 82
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+
+JOB 83
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+
+JOB 84
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+ENERGY -1.526525692616e+02
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+
+JOB 85
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+ENERGY -1.526582610757e+02
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+
+JOB 86
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+ENERGY -1.526601650565e+02
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+
+JOB 87
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+ENERGY -1.526611070983e+02
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+
+JOB 88
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+ENERGY -1.526617616345e+02
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+
+JOB 89
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+ENERGY -1.526547271898e+02
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+
+JOB 90
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+
+JOB 91
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+ENERGY -1.526586897422e+02
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+
+JOB 92
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+ENERGY -1.526595295252e+02
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+
+JOB 93
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+ENERGY -1.526566271838e+02
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+
+JOB 94
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+
+JOB 95
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+ENERGY -1.526557366813e+02
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+JOB 96
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+ENERGY -1.526609382854e+02
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+
+JOB 97
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+ENERGY -1.526598098312e+02
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+
+JOB 98
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+ENERGY -1.526605083314e+02
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+JOB 99
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+ENERGY -1.526567187108e+02
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+JOB 100
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+JOB 101
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+JOB 102
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+ENERGY -1.526602894494e+02
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+
+JOB 103
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1598000000e-02 -7.1930200000e-01  6.2485700000e-01 -4.3850000000e-01  7.4000000000e-01  4.1993900000e-01  6.8643200000e-01  3.1341600000e+00 -1.4220150000e+00 -2.5395000000e-02  2.5592730000e+00 -1.7031560000e+00  1.0802000000e+00  3.4448690000e+00 -2.2372680000e+00
+ENERGY -1.526550125140e+02
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+
+JOB 104
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+ENERGY -1.526613896517e+02
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+
+JOB 105
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5457700000e-01 -4.1465200000e-01 -1.1829600000e-01  4.0735700000e-01 -3.8677000000e-02 -8.6533000000e-01  2.6362260000e+00  2.7278800000e-01  2.3287160000e+00  3.3929700000e+00  8.0367700000e-01  2.0802670000e+00  2.5893680000e+00 -4.0749200000e-01  1.6569600000e+00
+ENERGY -1.526537929002e+02
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+
+JOB 106
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+ENERGY -1.526606594282e+02
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+
+JOB 107
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8344600000e-01  2.0032700000e-01 -3.0923200000e-01 -2.4248700000e-01  7.5349100000e-01  5.3822300000e-01  2.6482380000e+00  7.1086000000e-01 -3.5142100000e-01  3.2219660000e+00  1.0797770000e+00  3.2012100000e-01  2.7753500000e+00  1.2766960000e+00 -1.1129350000e+00
+ENERGY -1.526593749733e+02
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+
+JOB 108
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2752700000e-01 -1.6433900000e-01  1.7005200000e-01  1.5874100000e-01 -3.8837000000e-01 -8.6035000000e-01  1.0083480000e+00  2.1427280000e+00  3.3602070000e+00  1.0124040000e+00  2.8490710000e+00  4.0061900000e+00  1.4537670000e+00  1.4162480000e+00  3.7961650000e+00
+ENERGY -1.526532046785e+02
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+
+JOB 109
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8000000000e-01 -3.7514200000e-01  3.3181000000e-02  1.1016100000e-01  2.7338000000e-01 -9.1069200000e-01 -2.1442750000e+00 -1.4942990000e+00 -1.2793070000e+00 -2.8483350000e+00 -1.6319900000e+00 -1.9130040000e+00 -1.8715630000e+00 -2.3767580000e+00 -1.0280570000e+00
+ENERGY -1.526594288419e+02
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+
+JOB 110
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6638800000e-01 -1.4989500000e-01 -5.5354500000e-01 -8.2207000000e-02  9.1097800000e-01  2.8212200000e-01 -9.1638000000e-02 -1.5389490000e+00  2.2265240000e+00 -4.8919200000e-01 -2.2886350000e+00  1.7836320000e+00 -1.6760000000e-03 -8.7588300000e-01  1.5420660000e+00
+ENERGY -1.526585570239e+02
+FORCES -4.0758000000e-03 -1.8093000000e-03  2.6134000000e-03  3.9850000000e-03  9.3550000000e-04  3.1865000000e-03 -1.5000000000e-04 -6.4732000000e-03  1.1040000000e-04  4.3640000000e-04  6.8901000000e-03 -1.6416900000e-02  3.2530000000e-04  1.8004000000e-03  1.0961000000e-03 -5.2080000000e-04 -1.3436000000e-03  9.4105000000e-03
+
+JOB 111
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6924000000e-02 -6.3133100000e-01 -7.1794900000e-01  9.0653000000e-01  1.0131200000e-01  2.9012100000e-01 -2.6622250000e+00 -2.1110000000e-01  7.3527300000e-01 -1.7866690000e+00 -3.0357400000e-01  3.5966500000e-01 -3.1577330000e+00  2.7087100000e-01  7.3149000000e-02
+ENERGY -1.526577897838e+02
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+
+JOB 112
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5162600000e-01  6.6098700000e-01 -4.1837500000e-01  5.6976200000e-01 -4.1186700000e-01  6.4959100000e-01  2.8252610000e+00 -1.2434280000e+00  5.4055000000e-02  3.3170500000e+00 -2.0431510000e+00  2.4065000000e-01  2.9373850000e+00 -7.0451800000e-01  8.3714900000e-01
+ENERGY -1.526542932553e+02
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+
+JOB 113
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+ENERGY -1.526553270477e+02
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+
+JOB 114
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+ENERGY -1.526577895709e+02
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+
+JOB 115
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+ENERGY -1.526511841325e+02
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+
+JOB 116
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+ENERGY -1.526615586951e+02
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+
+JOB 117
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+ENERGY -1.526592315180e+02
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+
+JOB 118
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+ENERGY -1.526563892644e+02
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+
+JOB 119
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+ENERGY -1.526538004072e+02
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+
+JOB 120
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+ENERGY -1.526545940017e+02
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+JOB 121
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+ENERGY -1.526562252590e+02
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+JOB 122
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+JOB 123
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+ENERGY -1.526571305597e+02
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+JOB 124
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+ENERGY -1.526570948729e+02
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+
+JOB 125
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+JOB 126
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+JOB 127
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+
+JOB 128
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+
+JOB 129
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+
+JOB 130
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+
+JOB 131
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+
+JOB 132
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+JOB 133
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+JOB 134
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+JOB 135
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+JOB 136
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+JOB 137
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+JOB 138
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+JOB 139
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+JOB 140
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+JOB 141
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+JOB 142
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+JOB 143
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+JOB 144
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+JOB 145
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+JOB 146
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+
+JOB 147
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+
+JOB 148
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+JOB 149
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+JOB 150
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+
+JOB 151
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+JOB 152
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+JOB 153
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+JOB 154
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+JOB 155
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+JOB 156
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+JOB 157
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+JOB 158
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+JOB 159
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+JOB 160
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+JOB 161
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+JOB 162
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+JOB 163
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+JOB 164
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+JOB 165
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+JOB 166
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+JOB 167
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+JOB 168
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3993200000e-01 -1.7889600000e-01 -9.2986400000e-01  7.0677900000e-01 -5.9310900000e-01  2.5478900000e-01  1.0134000000e-02 -7.7181000000e-01 -2.7945310000e+00 -1.9105600000e-01 -1.6292080000e+00 -3.1695290000e+00 -2.8401600000e-01 -1.4556500000e-01 -3.4559880000e+00
+ENERGY -1.526613196387e+02
+FORCES  2.5861000000e-03 -4.8979000000e-03 -9.7661000000e-03 -9.7410000000e-04  4.0038000000e-03  8.4694000000e-03 -2.1472000000e-03  1.4155000000e-03  2.6300000000e-05 -1.6910000000e-03 -1.3005000000e-03 -2.7291000000e-03  1.2187000000e-03  4.4654000000e-03  7.6480000000e-04  1.0074000000e-03 -3.6863000000e-03  3.2347000000e-03
+
+JOB 169
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4068700000e-01 -7.4536600000e-01 -2.6137800000e-01  5.3668500000e-01  4.7500700000e-01  6.3448400000e-01  1.0248690000e+00  1.0558660000e+00  2.5852850000e+00  1.9231690000e+00  8.6056700000e-01  2.8520210000e+00  4.7966400000e-01  6.0381800000e-01  3.2292070000e+00
+ENERGY -1.526604517838e+02
+FORCES  5.4094000000e-03  1.9320000000e-03  6.5930000000e-03 -1.4505000000e-03  2.4036000000e-03  1.4062000000e-03 -2.5516000000e-03 -3.8516000000e-03 -9.0258000000e-03 -7.6450000000e-04 -2.8145000000e-03  5.2913000000e-03 -4.4531000000e-03  4.5100000000e-05 -2.0139000000e-03  3.8103000000e-03  2.2853000000e-03 -2.2508000000e-03
+
+JOB 170
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1783100000e-01 -9.1367800000e-01  2.5988400000e-01  5.5531300000e-01  3.7433300000e-01  6.8391100000e-01 -2.6734610000e+00  5.4999600000e-01 -9.8347000000e-02 -3.0170410000e+00 -7.3000000000e-03  5.9994100000e-01 -1.7306010000e+00  3.8495900000e-01 -9.5112000000e-02
+ENERGY -1.526588156367e+02
+FORCES -1.5742000000e-03  4.4680000000e-04  3.2933000000e-03 -2.1981000000e-03  6.4222000000e-03 -3.3980000000e-04 -2.8866000000e-03 -3.3012000000e-03 -3.1864000000e-03  1.4629400000e-02 -2.4408000000e-03  1.9361000000e-03  2.5523000000e-03  7.6390000000e-04 -1.9476000000e-03 -1.0522800000e-02 -1.8908000000e-03  2.4440000000e-04
+
+JOB 171
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9314800000e-01  7.7864100000e-01  5.2215300000e-01 -8.3351600000e-01 -3.1979800000e-01  3.4527100000e-01  8.8857500000e-01  2.4380510000e+00  8.6336000000e-01  1.5195760000e+00  2.5311370000e+00  1.4963400000e-01  1.3679500000e-01  2.9632370000e+00  5.8906700000e-01
+ENERGY -1.526603134550e+02
+FORCES  3.8208000000e-03  1.0704200000e-02  6.8971000000e-03 -5.5851000000e-03 -8.6935000000e-03 -5.0746000000e-03  2.4983000000e-03  3.2939000000e-03 -2.8470000000e-04  1.9100000000e-04 -2.9200000000e-04 -6.8989000000e-03 -4.0261000000e-03 -2.2740000000e-04  3.9596000000e-03  3.1011000000e-03 -4.7853000000e-03  1.4015000000e-03
+
+JOB 172
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9461000000e-02 -2.1756300000e-01 -9.3168100000e-01 -8.7570300000e-01  3.6243100000e-01  1.3423600000e-01 -2.7111990000e+00  8.5442400000e-01  9.0029200000e-01 -2.8376170000e+00  1.5249230000e+00  1.5716210000e+00 -3.4084880000e+00  1.0165410000e+00  2.6488900000e-01
+ENERGY -1.526608768401e+02
+FORCES -8.0401000000e-03  1.7761000000e-03  2.7670000000e-04 -9.5170000000e-04  9.6200000000e-04  2.9015000000e-03  9.3604000000e-03 -2.5162000000e-03 -4.4575000000e-03 -3.7184000000e-03  3.3369000000e-03  2.1447000000e-03 -4.9880000000e-04 -3.0498000000e-03 -3.6661000000e-03  3.8485000000e-03 -5.0900000000e-04  2.8007000000e-03
+
+JOB 173
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4367500000e-01 -6.8667700000e-01  3.8616600000e-01 -8.5941700000e-01 -1.1844100000e-01  4.0448200000e-01 -2.6278330000e+00  1.2533200000e-01 -2.5172530000e+00 -3.2587310000e+00  5.2044700000e-01 -3.1189870000e+00 -3.0293990000e+00 -7.0438400000e-01 -2.2592830000e+00
+ENERGY -1.526529289460e+02
+FORCES -2.1502000000e-03 -2.5762000000e-03  2.4170000000e-03 -2.3038000000e-03  2.7059000000e-03 -1.8120000000e-03  3.9167000000e-03 -2.3570000000e-04 -5.9650000000e-04 -3.8197000000e-03 -1.8107000000e-03 -2.2604000000e-03  2.8078000000e-03 -1.6740000000e-03  2.5885000000e-03  1.5493000000e-03  3.5908000000e-03 -3.3650000000e-04
+
+JOB 174
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2368300000e-01  1.6798600000e-01 -7.0642200000e-01  2.7039000000e-01 -8.4325400000e-01  3.6337800000e-01  1.6338500000e+00  9.4372500000e-01 -2.1223560000e+00  2.2050210000e+00  2.0595700000e-01 -1.9085950000e+00  1.7919960000e+00  1.5796780000e+00 -1.4246560000e+00
+ENERGY -1.526556671190e+02
+FORCES  4.3767000000e-03  6.6320000000e-04 -9.1110000000e-03  1.6526000000e-03 -2.0459000000e-03  9.9121000000e-03  7.9640000000e-04  3.3858000000e-03 -2.8441000000e-03  4.0634000000e-03  2.3379000000e-03  2.1622000000e-03 -7.6355000000e-03  2.5407000000e-03  2.3635000000e-03 -3.2536000000e-03 -6.8817000000e-03 -2.4828000000e-03
+
+JOB 175
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4622000000e-01 -7.5329500000e-01  5.3680000000e-01 -4.0451600000e-01  6.1134500000e-01  6.1551300000e-01  2.0027220000e+00  5.9064700000e-01 -1.7170340000e+00  1.3484400000e+00  5.8255800000e-01 -1.0184050000e+00  1.4905810000e+00  5.7871000000e-01 -2.5256130000e+00
+ENERGY -1.526603857319e+02
+FORCES  3.7735000000e-03 -1.4207000000e-03 -1.7400000000e-04 -1.9144000000e-03  4.8325000000e-03 -1.9238000000e-03  3.0146000000e-03 -3.3391000000e-03 -3.2233000000e-03 -1.3813600000e-02 -3.2714000000e-03  7.7277000000e-03  7.5462000000e-03  3.0233000000e-03 -4.3818000000e-03  1.3937000000e-03  1.7530000000e-04  1.9752000000e-03
+
+JOB 176
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0008600000e-01  2.4426700000e-01  2.1543000000e-01 -4.1970000000e-03 -9.5652200000e-01  3.5782000000e-02 -1.7802760000e+00  1.7891840000e+00  1.0150920000e+00 -1.5268450000e+00  2.4441320000e+00  1.6655130000e+00 -1.1014860000e+00  1.1169040000e+00  1.0743860000e+00
+ENERGY -1.526576985189e+02
+FORCES  7.9030000000e-04 -4.9920000000e-04 -9.7120000000e-04 -5.7892000000e-03 -8.6010000000e-04  7.3510000000e-04  3.9250000000e-04  5.3294000000e-03  1.6080000000e-04  7.6075000000e-03 -7.6387000000e-03 -3.3730000000e-03  1.2548000000e-03 -3.2283000000e-03 -2.6806000000e-03 -4.2558000000e-03  6.8970000000e-03  6.1288000000e-03
+
+JOB 177
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0081300000e-01 -6.5090300000e-01  3.7664000000e-02  3.3199300000e-01  7.3980000000e-01  5.0863400000e-01  1.2391130000e+00  1.9626910000e+00  1.1540060000e+00  4.7739400000e-01  2.5375760000e+00  1.0796820000e+00  1.9193370000e+00  2.3979630000e+00  6.4013300000e-01
+ENERGY -1.526551203628e+02
+FORCES  1.4751800000e-02  1.4038900000e-02  1.0928200000e-02 -1.2745000000e-03  1.5523000000e-03 -7.3550000000e-04 -9.5575000000e-03  7.0910000000e-04 -1.7260000000e-03 -3.4184000000e-03 -6.9461000000e-03 -9.8403000000e-03  3.2930000000e-03 -8.0076000000e-03 -2.0258000000e-03 -3.7943000000e-03 -1.3465000000e-03  3.3994000000e-03
+
+JOB 178
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1763000000e-01 -4.5533100000e-01  4.4035600000e-01 -1.1187700000e-01  9.1836300000e-01  2.4561200000e-01 -3.8586800000e-01 -1.2784440000e+00 -2.3691600000e+00 -1.3137160000e+00 -1.0843830000e+00 -2.5020900000e+00 -1.7428200000e-01 -8.7415800000e-01 -1.5277230000e+00
+ENERGY -1.526584028332e+02
+FORCES -2.3129000000e-03  1.3851000000e-03 -3.3511000000e-03  3.1760000000e-03  2.4779000000e-03 -5.4771000000e-03 -6.6080000000e-04 -5.1635000000e-03  2.8610000000e-04  1.2238000000e-03  9.5678000000e-03  1.1572500000e-02  2.3233000000e-03 -5.2120000000e-04  1.4998000000e-03 -3.7495000000e-03 -7.7462000000e-03 -4.5302000000e-03
+
+JOB 179
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2147800000e-01 -3.5139100000e-01  6.3759000000e-01 -4.3922300000e-01 -1.0157400000e-01 -8.4439200000e-01 -1.6153860000e+00 -1.0102540000e+00  1.8710940000e+00 -1.1896670000e+00 -1.8025940000e+00  2.1984960000e+00 -1.5614770000e+00 -3.9069700000e-01  2.5987440000e+00
+ENERGY -1.526605286154e+02
+FORCES -1.2636100000e-02 -6.9433000000e-03  1.0385200000e-02  7.6460000000e-03  4.5017000000e-03 -6.0934000000e-03  3.5570000000e-04 -4.9160000000e-04  3.0043000000e-03  5.6371000000e-03  1.5736000000e-03 -9.9570000000e-04 -1.9062000000e-03  5.1398000000e-03 -1.7013000000e-03  9.0360000000e-04 -3.7803000000e-03 -4.5991000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3513700000e-01 -7.1289600000e-01  5.9390300000e-01  5.7022000000e-01  7.2453700000e-01  2.5715300000e-01 -2.1048460000e+00  1.7479620000e+00  1.7381700000e-01 -1.3416620000e+00  1.1897380000e+00  2.4928000000e-02 -2.6147560000e+00  1.2850360000e+00  8.3858900000e-01
+ENERGY -1.526579711866e+02
+FORCES -1.6404000000e-03  8.4530000000e-04  4.2736000000e-03 -1.4390000000e-04  4.0202000000e-03 -2.7385000000e-03 -7.2222000000e-03 -2.9057000000e-03 -1.2553000000e-03  7.8782000000e-03 -1.3273100000e-02  5.1340000000e-04  1.3100000000e-05  9.7751000000e-03  5.7220000000e-04  1.1152000000e-03  1.5381000000e-03 -1.3654000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6009600000e-01  5.7567500000e-01 -7.1915300000e-01  8.4101600000e-01 -3.6415700000e-01 -2.7624800000e-01 -9.1434300000e-01  1.1504040000e+00 -2.1224550000e+00 -4.2195200000e-01  1.6082280000e+00 -2.8037630000e+00 -1.4465510000e+00  5.1282800000e-01 -2.5983580000e+00
+ENERGY -1.526575396083e+02
+FORCES -5.1802000000e-03  9.4588000000e-03 -1.8059900000e-02  2.3474000000e-03 -3.2968000000e-03  6.6321000000e-03 -2.3342000000e-03  1.4331000000e-03 -5.3370000000e-04  4.0526000000e-03 -8.0796000000e-03  8.2946000000e-03 -2.4430000000e-03 -3.8962000000e-03  2.9527000000e-03  3.5573000000e-03  4.3807000000e-03  7.1410000000e-04
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4131900000e-01 -5.8592100000e-01  1.5288800000e-01 -7.6980200000e-01 -5.2429600000e-01  2.2079700000e-01  1.0424140000e+00  1.2891070000e+00  2.2147000000e+00  5.4936900000e-01  1.0207400000e+00  1.4393820000e+00  3.8295100000e-01  1.6566420000e+00  2.8031370000e+00
+ENERGY -1.526605143832e+02
+FORCES  1.4047000000e-03 -4.7363000000e-03  2.9982000000e-03 -4.7806000000e-03  4.7058000000e-03  5.5940000000e-04  4.1680000000e-03  3.0156000000e-03 -2.5270000000e-04 -7.6782000000e-03 -3.0537000000e-03 -9.8596000000e-03  5.9481000000e-03  1.9996000000e-03  9.2217000000e-03  9.3800000000e-04 -1.9309000000e-03 -2.6669000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4160100000e-01 -7.4165800000e-01 -2.6989500000e-01 -6.2318000000e-02  5.4873400000e-01 -7.8181800000e-01 -1.0514440000e+00  1.1491090000e+00 -2.2034740000e+00 -4.5180300000e-01  1.6143680000e+00 -2.7867380000e+00 -1.6902200000e+00  7.4361600000e-01 -2.7897950000e+00
+ENERGY -1.526572180045e+02
+FORCES -5.0623000000e-03  3.9176000000e-03 -1.2641500000e-02 -1.9323000000e-03  2.4466000000e-03 -1.3760000000e-04  7.1103000000e-03 -4.2970000000e-04  5.5260000000e-03 -2.0928000000e-03 -5.1663000000e-03  1.6344000000e-03 -1.6078000000e-03 -4.1045000000e-03  4.5953000000e-03  3.5850000000e-03  3.3363000000e-03  1.0234000000e-03
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5805200000e-01  6.4905600000e-01  2.4884900000e-01  4.5310500000e-01 -2.0783400000e-01  8.1714900000e-01 -2.1871380000e+00  1.7567950000e+00  2.1505200000e-01 -2.8002860000e+00  1.0714480000e+00 -5.0616000000e-02 -2.4567530000e+00  2.5270840000e+00 -2.8514300000e-01
+ENERGY -1.526613978166e+02
+FORCES -5.7167000000e-03  7.8005000000e-03  2.9051000000e-03  5.2710000000e-03 -9.2635000000e-03  4.6900000000e-05 -2.3140000000e-03  1.4043000000e-03 -2.1746000000e-03 -8.6250000000e-04  4.1530000000e-04 -4.5058000000e-03  4.1859000000e-03  3.6456000000e-03  1.4421000000e-03 -5.6370000000e-04 -4.0022000000e-03  2.2863000000e-03
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6831200000e-01  3.9115500000e-01 -9.6253000000e-02 -5.9973100000e-01  6.5714700000e-01 -3.5314500000e-01  2.2206860000e+00  1.5496850000e+00  4.6714000000e-02  3.0089520000e+00  1.3120940000e+00 -4.4156800000e-01  2.5475570000e+00  1.9979790000e+00  8.2672700000e-01
+ENERGY -1.526599427838e+02
+FORCES  1.0896500000e-02  1.0985600000e-02 -4.2200000000e-04 -5.2390000000e-03 -6.4464000000e-03 -2.4802000000e-03  1.3061000000e-03 -1.7010000000e-03  1.0962000000e-03 -2.6848000000e-03 -2.0228000000e-03  3.6216000000e-03 -4.4741000000e-03  6.8210000000e-04  3.1338000000e-03  1.9530000000e-04 -1.4974000000e-03 -4.9495000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.8312000000e-02  6.3477600000e-01  7.0966600000e-01 -8.3119500000e-01 -4.7448800000e-01 -1.4428000000e-02 -1.1155100000e+00  2.6545750000e+00 -1.4532460000e+00 -1.1870520000e+00  1.8322880000e+00 -1.9379710000e+00 -2.3766500000e-01  2.9774570000e+00 -1.6566370000e+00
+ENERGY -1.526561789013e+02
+FORCES -4.6956000000e-03  3.1902000000e-03  3.7260000000e-03  1.4715000000e-03 -4.0109000000e-03 -1.8338000000e-03  3.2848000000e-03  1.8477000000e-03 -9.7520000000e-04  5.4471000000e-03 -4.9871000000e-03 -2.3679000000e-03 -1.8785000000e-03  4.1015000000e-03  5.8450000000e-04 -3.6295000000e-03 -1.4140000000e-04  8.6640000000e-04
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4931900000e-01  3.0820500000e-01  8.9383700000e-01 -7.6120100000e-01 -5.7624900000e-01  6.8859000000e-02 -1.9029050000e+00 -9.2616100000e-01  2.8415740000e+00 -1.9212820000e+00  2.7600000000e-04  2.6015530000e+00 -2.7503730000e+00 -1.2655090000e+00  2.5536990000e+00
+ENERGY -1.526552396923e+02
+FORCES -1.6985000000e-03 -3.5107000000e-03  5.3279000000e-03 -1.2198000000e-03  8.6080000000e-04 -3.7879000000e-03  2.1736000000e-03  3.5585000000e-03 -2.0270000000e-03 -5.2679000000e-03  2.1193000000e-03  1.4750000000e-04  1.7972000000e-03 -4.5821000000e-03 -2.7730000000e-04  4.2153000000e-03  1.5542000000e-03  6.1680000000e-04
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2386700000e-01 -2.2027000000e-02 -6.2591000000e-01 -6.1024900000e-01  6.4283900000e-01 -3.6136700000e-01 -2.0337590000e+00 -1.5630150000e+00  4.5098900000e-01 -1.1678320000e+00 -1.1681490000e+00  3.4859900000e-01 -1.9717350000e+00 -2.4000910000e+00 -9.1060000000e-03
+ENERGY -1.526586368170e+02
+FORCES -8.0359000000e-03 -4.4471000000e-03 -1.8243000000e-03 -4.4770000000e-03  7.7750000000e-04  2.2720000000e-03  4.0584000000e-03 -4.7898000000e-03  1.6019000000e-03  1.6243100000e-02  7.6500000000e-03 -3.2987000000e-03 -9.2639000000e-03 -2.1571000000e-03  6.3210000000e-04  1.4753000000e-03  2.9665000000e-03  6.1700000000e-04
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4146700000e-01 -6.0035500000e-01  7.7665000000e-02 -7.7178400000e-01 -5.6374800000e-01  5.2631000000e-02  9.9407600000e-01  2.4321340000e+00  1.3601230000e+00  1.6833000000e-01  2.9010070000e+00  1.4806750000e+00  7.6423300000e-01  1.6764240000e+00  8.1947000000e-01
+ENERGY -1.526605817534e+02
+FORCES -1.7412000000e-03 -4.2116000000e-03  1.5416000000e-03 -3.7609000000e-03  3.7361000000e-03  4.6100000000e-05  4.0127000000e-03  1.4107000000e-03 -7.5570000000e-04 -7.1479000000e-03 -5.9380000000e-03 -4.3890000000e-03  2.4758000000e-03 -8.7400000000e-04  1.0100000000e-04  6.1616000000e-03  5.8768000000e-03  3.4560000000e-03
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8268000000e-01 -6.7082400000e-01 -1.3223000000e-02 -1.9876300000e-01  1.5835300000e-01 -9.2284800000e-01 -7.0313900000e-01 -3.3886770000e+00  4.4140000000e-01  3.5535000000e-02 -3.9941110000e+00  5.0497300000e-01 -7.0557000000e-01 -2.9243290000e+00  1.2784230000e+00
+ENERGY -1.526553823485e+02
+FORCES  8.2540000000e-04 -3.9918000000e-03 -5.1661000000e-03 -1.4563000000e-03  3.8110000000e-03  1.2372000000e-03  1.2295000000e-03  3.0310000000e-04  3.5466000000e-03  8.5480000000e-04 -4.8340000000e-04  4.6670000000e-03 -2.5112000000e-03  3.4909000000e-03 -7.2190000000e-04  1.0577000000e-03 -3.1298000000e-03 -3.5628000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2530400000e-01 -6.5153900000e-01 -3.1737100000e-01 -2.3037000000e-01  5.0981500000e-01 -7.7669200000e-01 -1.2757970000e+00  1.5597940000e+00 -1.8613230000e+00 -2.0320810000e+00  1.8023970000e+00 -1.3270850000e+00 -1.6480200000e+00  1.3235070000e+00 -2.7109410000e+00
+ENERGY -1.526609853114e+02
+FORCES -3.7206000000e-03  5.9103000000e-03 -1.0139700000e-02 -2.4079000000e-03  2.3789000000e-03 -6.2200000000e-04  4.6074000000e-03 -5.3485000000e-03  7.7771000000e-03 -3.1213000000e-03 -3.0376000000e-03  2.6382000000e-03  3.5904000000e-03 -1.2396000000e-03 -3.8994000000e-03  1.0521000000e-03  1.3365000000e-03  4.2458000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4753700000e-01 -1.7066300000e-01  6.8396000000e-01 -5.0109600000e-01  4.0083900000e-01 -7.1025500000e-01  1.5301930000e+00  1.3294570000e+00  1.8319360000e+00  1.9685040000e+00  2.1562940000e+00  1.6307970000e+00  1.2406270000e+00  9.9832600000e-01  9.8179700000e-01
+ENERGY -1.526607215437e+02
+FORCES -3.4516000000e-03  2.0648000000e-03  4.3279000000e-03  2.9191000000e-03  1.0514000000e-03 -4.7954000000e-03  2.3343000000e-03 -1.3338000000e-03  3.9656000000e-03 -4.7369000000e-03 -4.4679000000e-03 -9.8833000000e-03 -2.3065000000e-03 -2.8604000000e-03 -1.1936000000e-03  5.2415000000e-03  5.5460000000e-03  7.5789000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5799400000e-01  4.2450600000e-01  4.0183500000e-01  6.3848500000e-01  7.0438500000e-01 -1.1139700000e-01 -1.2132720000e+00 -1.0334900000e+00 -2.3715510000e+00 -1.9726500000e+00 -1.5761040000e+00 -2.5840300000e+00 -1.1598540000e+00 -1.0590030000e+00 -1.4161840000e+00
+ENERGY -1.526576077149e+02
+FORCES  1.8667000000e-03  5.9295000000e-03 -2.8069000000e-03  2.3352000000e-03 -3.7250000000e-03 -3.1307000000e-03 -2.8262000000e-03 -2.3632000000e-03  2.4000000000e-03  2.6044000000e-03  1.1350000000e-04  6.3200000000e-03  2.8272000000e-03  2.5379000000e-03  2.5258000000e-03 -6.8074000000e-03 -2.4927000000e-03 -5.3083000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2302500000e-01 -6.2682700000e-01  2.3556000000e-02  7.8102100000e-01 -5.3910400000e-01 -1.2492400000e-01 -8.4302600000e-01  1.2310860000e+00 -2.1966680000e+00 -5.2150500000e-01  8.2821600000e-01 -1.3901000000e+00 -1.3203230000e+00  2.0072810000e+00 -1.9035110000e+00
+ENERGY -1.526596221773e+02
+FORCES -8.0670000000e-04 -4.3910000000e-04 -6.4038000000e-03  4.1912000000e-03  4.8668000000e-03 -2.2453000000e-03 -5.1369000000e-03  2.2155000000e-03  4.9530000000e-04  6.8642000000e-03 -5.5200000000e-03  1.6051900000e-02 -6.3465000000e-03  1.8372000000e-03 -8.4772000000e-03  1.2348000000e-03 -2.9603000000e-03  5.7910000000e-04
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7727300000e-01 -2.1866000000e-01  7.3155700000e-01  5.6972200000e-01  6.8919300000e-01  3.4155700000e-01 -9.7133200000e-01  9.8935200000e-01 -2.3487530000e+00 -5.6895300000e-01  5.7316000000e-01 -1.5864500000e+00 -1.7788720000e+00  1.3775000000e+00 -2.0119250000e+00
+ENERGY -1.526597715611e+02
+FORCES -2.9462000000e-03  3.0375000000e-03 -8.4660000000e-04  3.3660000000e-03  2.2692000000e-03 -3.0212000000e-03 -4.2099000000e-03 -3.4241000000e-03 -1.9595000000e-03  2.7104000000e-03 -5.7674000000e-03  1.4502500000e-02 -9.5380000000e-04  4.8496000000e-03 -8.1763000000e-03  2.0335000000e-03 -9.6480000000e-04 -4.9900000000e-04
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2326200000e-01 -4.1794700000e-01 -2.5257000000e-01 -7.5542000000e-02  7.5413500000e-01 -5.8464200000e-01  2.7347860000e+00  1.7154410000e+00 -8.1900300000e-01  3.0471930000e+00  8.9861800000e-01 -4.2985800000e-01  2.4425730000e+00  1.4670860000e+00 -1.6960230000e+00
+ENERGY -1.526528858162e+02
+FORCES  4.5707000000e-03  4.3536000000e-03 -2.8504000000e-03 -2.0072000000e-03  4.7370000000e-04  5.9090000000e-04 -1.2061000000e-03 -4.2576000000e-03  9.7760000000e-04  1.7624000000e-03 -3.6049000000e-03 -1.0497000000e-03 -2.5974000000e-03  2.6212000000e-03 -2.4286000000e-03 -5.2240000000e-04  4.1410000000e-04  4.7603000000e-03
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2902600000e-01  6.1950900000e-01  3.1007000000e-02  1.4494300000e-01 -5.7883000000e-01  7.4845100000e-01  8.3847000000e-01 -1.2100430000e+00  2.2632820000e+00  2.1270500000e-01 -1.6199210000e+00  2.8604840000e+00  1.2441570000e+00 -5.1462200000e-01  2.7810090000e+00
+ENERGY -1.526586462421e+02
+FORCES  7.7673000000e-03 -6.9466000000e-03  1.4003500000e-02 -1.8139000000e-03 -9.4710000000e-04  4.7890000000e-04 -4.5597000000e-03  3.2092000000e-03 -6.9377000000e-03 -2.2068000000e-03  5.2472000000e-03 -1.3565000000e-03  3.0904000000e-03  3.0274000000e-03 -3.4271000000e-03 -2.2774000000e-03 -3.5900000000e-03 -2.7611000000e-03
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5561000000e-01  7.2189000000e-02 -4.2302800000e-01 -5.3418500000e-01  6.7249400000e-01 -4.2264700000e-01 -2.8637340000e+00  1.5680320000e+00  1.8832780000e+00 -2.7267440000e+00  9.0297100000e-01  1.2086230000e+00 -3.5744310000e+00  2.1117780000e+00  1.5434510000e+00
+ENERGY -1.526540379428e+02
+FORCES  2.9968000000e-03  3.6734000000e-03 -3.1095000000e-03 -3.5701000000e-03 -3.4760000000e-04  1.5894000000e-03  6.3700000000e-04 -3.7791000000e-03  1.8115000000e-03 -2.4305000000e-03 -1.6955000000e-03 -3.0123000000e-03 -9.9040000000e-04  4.3167000000e-03  1.5991000000e-03  3.3571000000e-03 -2.1678000000e-03  1.1217000000e-03
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7311800000e-01 -3.8190800000e-01  5.6328500000e-01  6.5989400000e-01 -6.8805400000e-01 -8.5750000000e-02  1.4861380000e+00  1.3490340000e+00  1.7511110000e+00  1.0119730000e+00  9.0131300000e-01  1.0504370000e+00  1.9140200000e+00  6.4540100000e-01  2.2390140000e+00
+ENERGY -1.526565640033e+02
+FORCES  1.2832000000e-03 -1.6140000000e-04  6.3486000000e-03  5.2379000000e-03  1.6526000000e-03 -2.6533000000e-03 -1.9192000000e-03  6.5280000000e-03  4.4160000000e-03 -1.0452300000e-02 -9.2994000000e-03 -1.2076900000e-02  8.2864000000e-03  7.8380000000e-04  6.9595000000e-03 -2.4359000000e-03  4.9630000000e-04 -2.9938000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5885000000e-01  3.9685500000e-01  1.4530900000e-01  4.6315900000e-01  6.2692900000e-01 -5.5558600000e-01  1.0499280000e+00 -1.3431900000e+00  2.2566790000e+00  1.6977600000e-01 -1.7192300000e+00  2.2441260000e+00  1.0974160000e+00 -8.1681400000e-01  1.4586150000e+00
+ENERGY -1.526590600821e+02
+FORCES -2.3070000000e-03  2.5226000000e-03  1.6280000000e-03  3.9595000000e-03 -1.9363000000e-03 -1.5377000000e-03 -1.9120000000e-03 -3.0226000000e-03  3.7107000000e-03 -7.3444000000e-03  4.3584000000e-03 -1.0721400000e-02  1.8365000000e-03  3.8820000000e-04  1.9184000000e-03  5.7674000000e-03 -2.3103000000e-03  5.0020000000e-03
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8308400000e-01 -2.4475600000e-01 -6.2427700000e-01 -6.0779500000e-01  5.3752500000e-01 -5.0782200000e-01  6.3108200000e-01  1.4077320000e+00  2.2117890000e+00  5.2243900000e-01  8.7481000000e-01  1.4241190000e+00  1.4723890000e+00  1.8476610000e+00  2.0897400000e+00
+ENERGY -1.526599502249e+02
+FORCES  3.0030000000e-04  4.1694000000e-03  9.3580000000e-04 -3.4023000000e-03  2.6634000000e-03  3.3623000000e-03  4.3591000000e-03 -3.0125000000e-03  2.0612000000e-03 -1.8267000000e-03 -8.2955000000e-03 -1.3094800000e-02  2.9577000000e-03  6.5524000000e-03  8.0047000000e-03 -2.3880000000e-03 -2.0771000000e-03 -1.2692000000e-03
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9428700000e-01  5.1447700000e-01 -6.3814300000e-01 -6.1744800000e-01 -6.6677100000e-01  3.0067600000e-01 -1.5728860000e+00  1.3002480000e+00 -1.7855850000e+00 -8.1699100000e-01  1.5507610000e+00 -2.3167140000e+00 -1.8993180000e+00  4.9920800000e-01 -2.1954740000e+00
+ENERGY -1.526573320546e+02
+FORCES -1.3311800000e-02  8.1588000000e-03 -8.4310000000e-03  8.9166000000e-03 -5.5970000000e-03  1.0900000000e-03  1.2952000000e-03  1.5852000000e-03 -2.0191000000e-03  2.6977000000e-03 -3.7840000000e-03 -1.5766000000e-03 -2.9805000000e-03 -3.8165000000e-03  6.4178000000e-03  3.3827000000e-03  3.4535000000e-03  4.5189000000e-03
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0874800000e-01 -1.6477500000e-01  6.2189800000e-01  5.2530200000e-01 -7.9999300000e-01  1.7321000000e-02 -1.0940990000e+00  9.2572800000e-01 -2.3766220000e+00 -6.2110200000e-01  1.7422990000e+00 -2.5369890000e+00 -8.6085800000e-01  6.8541100000e-01 -1.4799180000e+00
+ENERGY -1.526605116694e+02
+FORCES  5.0280000000e-04 -3.9440000000e-03 -2.4229000000e-03  3.0513000000e-03  1.0000000000e-03 -4.9983000000e-03 -2.8379000000e-03  3.7316000000e-03  1.8547000000e-03  7.5529000000e-03 -2.2931000000e-03  1.0872300000e-02 -1.1424000000e-03 -2.4146000000e-03  6.5320000000e-04 -7.1267000000e-03  3.9201000000e-03 -5.9590000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4920600000e-01 -6.5010900000e-01  6.5687600000e-01  4.4380900000e-01  8.0203500000e-01  2.7569100000e-01  1.5098050000e+00 -7.0542400000e-01 -2.0749440000e+00  7.5075400000e-01 -3.8426600000e-01 -1.5881870000e+00  1.1390010000e+00 -1.1031320000e+00 -2.8627030000e+00
+ENERGY -1.526600858549e+02
+FORCES  8.3102000000e-03 -3.3829000000e-03 -1.0651000000e-03 -1.6633000000e-03  4.1236000000e-03 -2.2290000000e-03 -1.9047000000e-03 -4.6251000000e-03 -1.9702000000e-03 -9.8701000000e-03  3.5806000000e-03  1.0207300000e-02  5.9934000000e-03 -1.1319000000e-03 -8.9459000000e-03 -8.6550000000e-04  1.4357000000e-03  4.0029000000e-03
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5712600000e-01  2.1487800000e-01 -6.6200100000e-01 -3.7155200000e-01 -8.3241400000e-01 -2.9200600000e-01 -2.4800210000e+00 -1.4921840000e+00  1.2289680000e+00 -2.4906300000e+00 -1.1316510000e+00  2.1156100000e+00 -1.8367340000e+00 -2.2000570000e+00  1.2654200000e+00
+ENERGY -1.526544993701e+02
+FORCES -1.6155000000e-03 -2.4812000000e-03 -3.7922000000e-03 -3.1684000000e-03 -1.0658000000e-03  2.8495000000e-03  4.7580000000e-03  1.6611000000e-03  8.4700000000e-04  2.8396000000e-03  1.0848000000e-03  5.7497000000e-03 -1.0266000000e-03 -2.5927000000e-03 -3.1858000000e-03 -1.7871000000e-03  3.3937000000e-03 -2.4681000000e-03
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9786800000e-01  6.4816400000e-01 -9.5370000000e-02  3.0576900000e-01 -5.8115600000e-01  6.9641600000e-01 -2.2633500000e+00  1.9444790000e+00 -5.2847900000e-01 -2.1719370000e+00  2.8222150000e+00 -1.5773100000e-01 -1.6450860000e+00  1.4085510000e+00 -3.1727000000e-02
+ENERGY -1.526593211019e+02
+FORCES  5.9070000000e-03 -2.2275000000e-03  7.5630000000e-04 -4.5125000000e-03 -2.4149000000e-03  1.8144000000e-03 -1.0642000000e-03  3.2168000000e-03 -3.3733000000e-03  4.4817000000e-03 -3.2330000000e-03  3.5082000000e-03  7.9810000000e-04 -3.4291000000e-03 -1.1907000000e-03 -5.6100000000e-03  8.0878000000e-03 -1.5149000000e-03
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7148000000e-02 -5.8282400000e-01 -7.5429000000e-01 -7.7993400000e-01  5.5391700000e-01 -3.3343000000e-02 -2.7536220000e+00 -1.7473770000e+00  1.1799390000e+00 -2.5574430000e+00 -9.4741600000e-01  1.6675950000e+00 -3.4946530000e+00 -2.1361160000e+00  1.6446840000e+00
+ENERGY -1.526550329786e+02
+FORCES -4.2016000000e-03 -2.0846000000e-03 -4.1575000000e-03  1.5189000000e-03  3.3183000000e-03  2.3343000000e-03  3.0275000000e-03 -1.6247000000e-03  1.5101000000e-03 -1.1977000000e-03  1.2452000000e-03  4.9461000000e-03 -2.4325000000e-03 -2.5213000000e-03 -2.6687000000e-03  3.2854000000e-03  1.6670000000e-03 -1.9643000000e-03
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8781100000e-01 -4.8220000000e-01 -8.0525900000e-01  7.5497700000e-01  5.4652000000e-01 -2.1807800000e-01  1.2281800000e+00 -1.5425130000e+00  1.8654070000e+00  7.9046500000e-01 -9.9189800000e-01  1.2162070000e+00  5.4826400000e-01 -1.7411260000e+00  2.5092230000e+00
+ENERGY -1.526605756182e+02
+FORCES  3.1465000000e-03 -2.6541000000e-03 -9.9300000000e-04  1.6673000000e-03  2.8710000000e-03  4.3606000000e-03 -3.6034000000e-03 -5.2535000000e-03  2.1977000000e-03 -1.0360600000e-02  8.6989000000e-03 -9.2085000000e-03  7.8166000000e-03 -4.2878000000e-03  5.9495000000e-03  1.3336000000e-03  6.2550000000e-04 -2.3064000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2238100000e-01  5.2407500000e-01 -7.3324500000e-01 -7.8473100000e-01 -4.0627800000e-01  3.6792400000e-01  8.2159000000e-02 -2.5083500000e+00  2.5558080000e+00  8.0092000000e-01 -1.8787220000e+00  2.4993870000e+00  6.6798000000e-02 -2.9325380000e+00  1.6978690000e+00
+ENERGY -1.526571746271e+02
+FORCES -5.0656000000e-03  1.5775000000e-03 -1.4574000000e-03  1.0307000000e-03 -2.3414000000e-03  3.0842000000e-03  3.9283000000e-03  1.6200000000e-03 -2.9238000000e-03  4.8866000000e-03  6.9420000000e-04 -3.5772000000e-03 -3.5090000000e-03 -3.3102000000e-03  1.2515000000e-03 -1.2711000000e-03  1.7599000000e-03  3.6227000000e-03
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3178000000e-01 -3.7775100000e-01 -4.8788700000e-01  4.1363800000e-01  5.4795800000e-01  6.6699100000e-01  1.0845880000e+00  1.4434720000e+00  2.1602220000e+00  1.8214900000e-01  1.7585010000e+00  2.1093030000e+00  1.1868770000e+00  1.1538360000e+00  3.0667970000e+00
+ENERGY -1.526586009151e+02
+FORCES  9.2465000000e-03  3.2711000000e-03  7.0005000000e-03 -2.1401000000e-03  8.0830000000e-04  1.5165000000e-03 -8.9122000000e-03  1.5466000000e-03 -4.6297000000e-03 -2.9471000000e-03 -2.6542000000e-03  3.7588000000e-03  5.5710000000e-03 -5.6731000000e-03 -3.7603000000e-03 -8.1800000000e-04  2.7013000000e-03 -3.8859000000e-03
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8365100000e-01 -6.9505000000e-02  8.2309300000e-01 -5.8096500000e-01  4.9369000000e-01 -5.7877500000e-01  1.6178290000e+00  1.6198100000e+00  1.7915380000e+00  2.1097160000e+00  2.3338540000e+00  1.3860500000e+00  1.1681440000e+00  1.1935530000e+00  1.0619360000e+00
+ENERGY -1.526606350825e+02
+FORCES -6.1616000000e-03 -7.3890000000e-04  4.5630000000e-04  4.7023000000e-03  2.7126000000e-03 -4.6372000000e-03  3.4161000000e-03 -1.8083000000e-03  3.4287000000e-03 -1.9818000000e-03 -3.5220000000e-03 -8.7817000000e-03 -2.1584000000e-03 -2.3822000000e-03  5.1840000000e-04  2.1835000000e-03  5.7390000000e-03  9.0156000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8943400000e-01 -3.7934900000e-01 -5.4498400000e-01  4.4948300000e-01  2.7387600000e-01  7.9949300000e-01 -1.6084480000e+00  1.3677360000e+00 -1.7752590000e+00 -2.1139490000e+00  2.0103440000e+00 -1.2775090000e+00 -1.2369990000e+00  7.8764200000e-01 -1.1106170000e+00
+ENERGY -1.526601782125e+02
+FORCES  1.6820000000e-03  4.0344000000e-03 -2.2646000000e-03 -3.3138000000e-03  1.9587000000e-03  3.4634000000e-03 -8.9300000000e-04 -2.0222000000e-03 -3.8365000000e-03  5.8821000000e-03 -4.4913000000e-03  1.0820700000e-02  1.8070000000e-03 -1.8231000000e-03 -7.9600000000e-04 -5.1642000000e-03  2.3435000000e-03 -7.3869000000e-03
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4854400000e-01  6.7994000000e-01  5.0271500000e-01 -4.4293500000e-01  4.7448100000e-01 -7.0349700000e-01 -1.1604390000e+00  1.2845270000e+00 -2.1778950000e+00 -1.1168250000e+00  8.7570900000e-01 -3.0423000000e+00 -2.0497500000e+00  1.6342080000e+00 -2.1223960000e+00
+ENERGY -1.526617011203e+02
+FORCES -3.9103000000e-03  7.6764000000e-03 -9.1705000000e-03 -1.8209000000e-03 -1.4024000000e-03 -1.7622000000e-03  3.6901000000e-03 -4.3648000000e-03  8.6180000000e-03 -9.2690000000e-04 -2.8164000000e-03 -7.1780000000e-04 -1.5736000000e-03  2.8433000000e-03  3.9084000000e-03  4.5415000000e-03 -1.9361000000e-03 -8.7590000000e-04
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5901700000e-01  8.1936800000e-01 -1.8485600000e-01 -3.5447300000e-01 -2.7270900000e-01 -8.4629200000e-01 -1.3141720000e+00 -1.5797540000e+00 -1.8516850000e+00 -1.7959900000e+00 -1.2163940000e+00 -2.5946880000e+00 -6.3555400000e-01 -2.1252540000e+00 -2.2493520000e+00
+ENERGY -1.526592811148e+02
+FORCES -5.4806000000e-03 -4.7282000000e-03 -7.7096000000e-03 -2.3789000000e-03 -3.4009000000e-03 -1.3576000000e-03  7.0848000000e-03  7.1881000000e-03  5.0097000000e-03  2.5530000000e-04 -2.6927000000e-03 -1.7853000000e-03  3.8334000000e-03 -8.4060000000e-04  4.0973000000e-03 -3.3140000000e-03  4.4744000000e-03  1.7455000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5051700000e-01 -3.2663100000e-01  4.9625400000e-01 -3.6627800000e-01  2.6128900000e-01 -8.4486700000e-01 -9.6522100000e-01  1.0231910000e+00 -2.4802290000e+00 -1.2127910000e+00  2.7429800000e-01 -3.0225390000e+00 -1.7207950000e+00  1.6094140000e+00 -2.5212470000e+00
+ENERGY -1.526606729894e+02
+FORCES -5.6952000000e-03  4.2378000000e-03 -8.5706000000e-03  1.7194000000e-03  1.2160000000e-03 -2.2861000000e-03  3.0882000000e-03 -6.4598000000e-03  8.3905000000e-03 -3.1774000000e-03  1.2391000000e-03 -1.6366000000e-03  7.9310000000e-04  3.5814000000e-03  4.5601000000e-03  3.2718000000e-03 -3.8145000000e-03 -4.5740000000e-04
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8613100000e-01 -6.3144600000e-01 -2.1617700000e-01 -2.2028600000e-01  4.1066900000e-01 -8.3609600000e-01 -3.7041100000e+00 -2.3746700000e-01 -6.1139700000e-01 -4.1671790000e+00  8.1443000000e-02 -1.3860550000e+00 -3.2537830000e+00  5.3361300000e-01 -2.6661600000e-01
+ENERGY -1.526541835396e+02
+FORCES  1.8113000000e-03 -2.5971000000e-03 -4.6042000000e-03 -2.3858000000e-03  2.8825000000e-03  8.3470000000e-04  6.3870000000e-04 -5.5720000000e-04  3.7938000000e-03  7.5100000000e-05  4.2350000000e-03 -2.1140000000e-04  2.4574000000e-03 -1.3754000000e-03  2.9432000000e-03 -2.5968000000e-03 -2.5879000000e-03 -2.7561000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8336200000e-01 -4.2208600000e-01 -5.2066400000e-01  6.2388700000e-01  3.3108900000e-01 -6.4604700000e-01  2.4810090000e+00  2.2901620000e+00  1.2184770000e+00  2.9672320000e+00  1.7311730000e+00  6.1238300000e-01  2.0703760000e+00  1.6798430000e+00  1.8309510000e+00
+ENERGY -1.526553789948e+02
+FORCES -1.3398000000e-03  3.6250000000e-04 -5.3085000000e-03  2.9601000000e-03  1.8701000000e-03  2.0159000000e-03 -1.7290000000e-03 -2.6392000000e-03  2.7861000000e-03 -6.2370000000e-04 -5.2565000000e-03  1.4082000000e-03 -2.4407000000e-03  2.3364000000e-03  1.2743000000e-03  3.1731000000e-03  3.3268000000e-03 -2.1760000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2248100000e-01 -6.9653600000e-01 -3.9759600000e-01  4.4096700000e-01 -4.2190600000e-01  7.3741100000e-01  1.4886740000e+00  7.2084900000e-01 -2.1589070000e+00  2.3957100000e+00  9.7395700000e-01 -1.9872850000e+00  1.1570220000e+00  4.2657000000e-01 -1.3105920000e+00
+ENERGY -1.526598900532e+02
+FORCES -6.7040000000e-04 -2.7029000000e-03 -2.2810000000e-03  4.1873000000e-03  3.6649000000e-03  2.4577000000e-03 -1.1122000000e-03  2.2439000000e-03 -5.2091000000e-03 -6.3607000000e-03 -2.0555000000e-03  1.2442600000e-02 -3.1730000000e-03 -1.4255000000e-03  1.4864000000e-03  7.1289000000e-03  2.7500000000e-04 -8.8966000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6244000000e-01  7.5927500000e-01  3.5480100000e-01 -3.4876300000e-01  3.0181000000e-01 -8.3875300000e-01  2.3110500000e+00 -1.5722930000e+00 -3.5556300000e-01  1.4181470000e+00 -1.2282720000e+00 -3.3095200000e-01  2.5109110000e+00 -1.6545860000e+00 -1.2880410000e+00
+ENERGY -1.526605294635e+02
+FORCES  2.5082000000e-03  4.8647000000e-03 -4.4160000000e-04 -2.9551000000e-03 -3.8583000000e-03 -2.7271000000e-03  3.2625000000e-03 -2.1608000000e-03  3.6940000000e-03 -1.0521600000e-02  5.1744000000e-03 -6.6800000000e-04  9.4171000000e-03 -5.2312000000e-03 -2.5424000000e-03 -1.7109000000e-03  1.2112000000e-03  2.6851000000e-03
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5445300000e-01  2.2200100000e-01 -8.6099400000e-01  6.3999400000e-01 -6.9004200000e-01 -1.7459100000e-01 -2.5452200000e+00 -2.3657640000e+00 -1.3702540000e+00 -1.9354960000e+00 -2.1367780000e+00 -2.0717060000e+00 -1.9896870000e+00 -2.7179320000e+00 -6.7484600000e-01
+ENERGY -1.526534874191e+02
+FORCES  6.9520000000e-04 -5.3850000000e-04 -4.0710000000e-03  2.3460000000e-03 -1.4732000000e-03  3.1867000000e-03 -3.4580000000e-03  2.0857000000e-03  5.2900000000e-04  4.6278000000e-03 -4.2810000000e-04  1.3650000000e-03 -2.0110000000e-03 -1.5250000000e-04  2.7679000000e-03 -2.2000000000e-03  5.0660000000e-04 -3.7776000000e-03
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8836000000e-01  4.4829700000e-01 -7.5129100000e-01 -7.4914100000e-01 -2.7981600000e-01  5.2604400000e-01 -2.2368940000e+00 -1.9645930000e+00 -1.3501530000e+00 -2.0216660000e+00 -2.4730010000e+00 -5.6821300000e-01 -3.0231050000e+00 -1.4747340000e+00 -1.1090250000e+00
+ENERGY -1.526536746026e+02
+FORCES -6.5369000000e-03 -1.3928000000e-03 -4.2482000000e-03  2.2777000000e-03  5.3660000000e-04  3.8411000000e-03  2.6085000000e-03  6.8230000000e-04 -8.7000000000e-05 -1.2706000000e-03 -2.1062000000e-03  3.5705000000e-03 -1.7238000000e-03  3.0941000000e-03 -2.6803000000e-03  4.6451000000e-03 -8.1400000000e-04 -3.9620000000e-04
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9386500000e-01 -7.7971000000e-01 -2.5373300000e-01  6.6837900000e-01  6.6722600000e-01  1.5591900000e-01  1.6081870000e+00 -2.1704030000e+00 -8.1264500000e-01  2.1154270000e+00 -2.5924810000e+00 -1.1925600000e-01  1.1378490000e+00 -2.8881330000e+00 -1.2367650000e+00
+ENERGY -1.526615009131e+02
+FORCES  9.4589000000e-03 -7.7226000000e-03 -4.0474000000e-03 -6.8305000000e-03  7.1135000000e-03  3.4358000000e-03 -1.5994000000e-03 -2.1098000000e-03  6.6800000000e-05 -7.6440000000e-04 -2.7995000000e-03  1.2292000000e-03 -2.8335000000e-03  2.0100000000e-03 -3.7580000000e-03  2.5689000000e-03  3.5083000000e-03  3.0737000000e-03
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9086000000e-02 -6.1779800000e-01  7.3008900000e-01  7.0828400000e-01  6.2036100000e-01  1.7238700000e-01  2.0409260000e+00  1.7463820000e+00  5.7464900000e-01  1.6795250000e+00  2.0321140000e+00  1.4136830000e+00  1.6977330000e+00  2.3745220000e+00 -6.0875000000e-02
+ENERGY -1.526584998928e+02
+FORCES  1.3952500000e-02  6.3526000000e-03  4.7748000000e-03  5.6000000000e-06  2.6442000000e-03 -1.3238000000e-03 -1.0468900000e-02 -1.3701000000e-03 -2.3719000000e-03 -3.2808000000e-03  2.7278000000e-03  5.0070000000e-04  2.5900000000e-04 -3.7494000000e-03 -5.5277000000e-03 -4.6730000000e-04 -6.6052000000e-03  3.9481000000e-03
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0192600000e-01 -3.7109600000e-01 -5.3462100000e-01 -5.3974900000e-01 -7.5218800000e-01  2.4313600000e-01  3.6804300000e-01 -3.4947410000e+00 -5.0010600000e-01 -3.8452300000e-01 -3.7760620000e+00  2.0215000000e-02 -1.4022000000e-02 -3.1445560000e+00 -1.3048600000e+00
+ENERGY -1.526554387714e+02
+FORCES  2.5276000000e-03 -6.4181000000e-03  1.4000000000e-05 -3.3090000000e-03  2.9644000000e-03  6.4990000000e-04 -7.8300000000e-05  3.7493000000e-03 -1.3039000000e-03 -4.3755000000e-03 -2.7767000000e-03 -1.6627000000e-03  3.2076000000e-03  2.4621000000e-03 -2.2684000000e-03  2.0276000000e-03  1.9000000000e-05  4.5711000000e-03
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1426300000e-01 -5.1410200000e-01  3.7651000000e-01  4.2904100000e-01  7.7074500000e-01 -3.7162800000e-01  3.1806100000e-01  2.4546280000e+00  2.2431840000e+00  1.1640690000e+00  2.0299030000e+00  2.3849920000e+00 -3.2686300000e-01  1.8016270000e+00  2.5150200000e+00
+ENERGY -1.526553257559e+02
+FORCES  4.5952000000e-03  3.0437000000e-03 -7.9180000000e-04 -2.9409000000e-03  2.5095000000e-03 -4.1680000000e-04 -1.0994000000e-03 -4.7823000000e-03  5.7860000000e-04 -9.6280000000e-04 -6.2461000000e-03  1.1849000000e-03 -2.6768000000e-03  1.6499000000e-03 -1.3376000000e-03  3.0847000000e-03  3.8251000000e-03  7.8270000000e-04
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0728800000e-01  3.6406700000e-01  6.4411800000e-01  3.8573400000e-01 -7.5961000000e-01  4.3638700000e-01 -8.7315900000e-01 -1.1979710000e+00 -2.3968000000e+00 -6.8910900000e-01 -6.2853400000e-01 -1.6497390000e+00 -8.2629100000e-01 -6.1870100000e-01 -3.1573790000e+00
+ENERGY -1.526619874799e+02
+FORCES -2.6250000000e-04 -3.3526000000e-03  3.0383000000e-03  3.0388000000e-03 -2.2824000000e-03 -3.1715000000e-03 -2.6567000000e-03  4.4549000000e-03 -1.5111000000e-03  3.6768000000e-03  7.1477000000e-03  7.6876000000e-03 -3.7149000000e-03 -5.0220000000e-03 -9.1321000000e-03 -8.1600000000e-05 -9.4560000000e-04  3.0889000000e-03
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0149600000e-01  6.4897800000e-01  5.4429000000e-02 -2.7204700000e-01 -5.8900200000e-01 -7.0377500000e-01 -1.6553970000e+00 -1.6220460000e+00 -1.8553620000e+00 -2.0427220000e+00 -8.4796900000e-01 -2.2640370000e+00 -8.6179500000e-01 -1.7899930000e+00 -2.3635170000e+00
+ENERGY -1.526563623321e+02
+FORCES -9.4968000000e-03 -4.5815000000e-03 -4.3686000000e-03  2.6088000000e-03 -1.1222000000e-03 -4.9660000000e-04  7.5245000000e-03  4.2477000000e-03  1.3200000000e-04 -1.2720000000e-03  9.3260000000e-04 -5.1374000000e-03  3.2389000000e-03 -3.0485000000e-03  3.6257000000e-03 -2.6034000000e-03  3.5719000000e-03  6.2450000000e-03
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5203500000e-01  6.9854200000e-01  5.5863000000e-02 -5.4381100000e-01  1.1645300000e-01  7.7906400000e-01 -1.2853780000e+00 -1.7647220000e+00 -1.6677850000e+00 -9.6329500000e-01 -9.6013200000e-01 -1.2614230000e+00 -1.6711140000e+00 -1.4777770000e+00 -2.4954930000e+00
+ENERGY -1.526601973905e+02
+FORCES  2.2740000000e-04 -2.6280000000e-04  5.2880000000e-04 -3.4641000000e-03 -2.9670000000e-03  1.1604000000e-03  2.8510000000e-03  2.5020000000e-04 -4.5775000000e-03  5.4430000000e-03  8.1285000000e-03  4.3022000000e-03 -7.0098000000e-03 -5.5560000000e-03 -4.4622000000e-03  1.9524000000e-03  4.0710000000e-04  3.0482000000e-03
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3652900000e-01 -6.3187600000e-01 -3.3435900000e-01  5.2512800000e-01  6.3435800000e-01  4.8791600000e-01 -1.7124270000e+00 -8.8424700000e-01  2.3086130000e+00 -1.0995320000e+00 -1.4056500000e+00  2.8270060000e+00 -1.2464490000e+00 -7.0869400000e-01  1.4911310000e+00
+ENERGY -1.526608259561e+02
+FORCES  5.7549000000e-03  1.7843000000e-03 -1.3191000000e-03 -2.9879000000e-03  3.0568000000e-03  2.6729000000e-03 -2.5477000000e-03 -4.3805000000e-03 -2.0301000000e-03  6.2167000000e-03  2.9440000000e-04 -6.4753000000e-03 -1.4728000000e-03  1.9054000000e-03 -1.8070000000e-03 -4.9632000000e-03 -2.6603000000e-03  8.9586000000e-03
+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6660100000e-01  2.2044700000e-01 -6.5059900000e-01  4.6339500000e-01 -5.3050500000e-01  6.4812100000e-01 -1.9081250000e+00  1.9798730000e+00  8.1416800000e-01 -1.3579200000e+00  1.2333440000e+00  5.7710300000e-01 -1.3039690000e+00  2.6063120000e+00  1.2126670000e+00
+ENERGY -1.526611748375e+02
+FORCES  2.9781000000e-03  3.0740000000e-04 -6.2160000000e-04 -2.2103000000e-03 -1.7545000000e-03  3.9859000000e-03 -1.5527000000e-03  3.2056000000e-03 -3.4684000000e-03  9.3212000000e-03 -6.2167000000e-03 -2.2075000000e-03 -6.9157000000e-03  6.0444000000e-03  3.3872000000e-03 -1.6206000000e-03 -1.5861000000e-03 -1.0757000000e-03
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8241200000e-01  2.6154800000e-01  8.3760700000e-01 -5.9618600000e-01 -7.1540800000e-01  2.2132800000e-01  1.4391620000e+00  1.4673380000e+00  1.9171910000e+00  8.8599200000e-01  2.1774080000e+00  2.2428200000e+00  1.8232500000e+00  1.0819080000e+00  2.7046880000e+00
+ENERGY -1.526600945844e+02
+FORCES  4.9197000000e-03  3.7462000000e-03  7.6532000000e-03 -7.0640000000e-03 -6.6287000000e-03 -5.7910000000e-03  2.6431000000e-03  2.9048000000e-03  9.5750000000e-04 -3.7000000000e-05  3.2111000000e-03  2.2607000000e-03  2.7716000000e-03 -4.5715000000e-03 -9.2020000000e-04 -3.2334000000e-03  1.3381000000e-03 -4.1602000000e-03
+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0976800000e-01  1.9283900000e-01 -2.2664100000e-01 -2.2967800000e-01 -7.5093700000e-01 -5.4733400000e-01 -8.7681300000e-01 -2.3748090000e+00 -1.0845890000e+00 -1.3735360000e+00 -2.4724450000e+00 -2.7220700000e-01 -1.4799350000e+00 -1.9341540000e+00 -1.6831700000e+00
+ENERGY -1.526595623044e+02
+FORCES  2.9000000000e-06 -1.2405200000e-02 -6.5284000000e-03 -2.9595000000e-03 -1.3728000000e-03 -9.8200000000e-05 -1.8088000000e-03  1.0114800000e-02  3.2917000000e-03 -4.2424000000e-03  6.4130000000e-04  3.5586000000e-03  3.3385000000e-03  2.3422000000e-03 -5.2173000000e-03  5.6693000000e-03  6.7970000000e-04  4.9936000000e-03
+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9770300000e-01  6.1241100000e-01 -4.2887700000e-01  5.6508700000e-01 -7.0448200000e-01  3.1719600000e-01  1.5216210000e+00  2.0543010000e+00 -1.0284420000e+00  2.0825180000e+00  2.4974980000e+00 -3.9188700000e-01  1.0254710000e+00  2.7599020000e+00 -1.4434050000e+00
+ENERGY -1.526611321441e+02
+FORCES  8.7151000000e-03  8.2960000000e-03 -5.1866000000e-03 -5.4001000000e-03 -8.3145000000e-03  3.8288000000e-03 -5.2200000000e-04  3.1482000000e-03 -8.8140000000e-04 -3.3715000000e-03  1.3325000000e-03  3.1923000000e-03 -2.7484000000e-03 -1.7129000000e-03 -3.5751000000e-03  3.3270000000e-03 -2.7494000000e-03  2.6220000000e-03
+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0229300000e-01  3.5349300000e-01  7.9337000000e-01  6.6304700000e-01  6.4674500000e-01 -2.4149700000e-01 -4.3787500000e-01  3.6050900000e+00  5.2067700000e-01  3.4475000000e-02  3.9158540000e+00 -2.5168500000e-01 -1.0100680000e+00  4.3337270000e+00  7.6133400000e-01
+ENERGY -1.526562686849e+02
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+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3697600000e-01  6.5106800000e-01 -4.5166300000e-01 -4.3826200000e-01 -4.7920900000e-01 -7.0321900000e-01 -9.8471300000e-01  3.1451400000e+00  1.2722550000e+00 -1.3773100000e+00  2.7349230000e+00  5.0165700000e-01 -1.6592860000e+00  3.7419240000e+00  1.5963420000e+00
+ENERGY -1.526544104804e+02
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+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8875400000e-01 -9.4849000000e-02  5.3395000000e-01 -3.1879200000e-01  3.1812600000e-01 -8.4463000000e-01 -1.5351510000e+00  1.4837230000e+00 -2.1471720000e+00 -8.9789100000e-01  2.1380390000e+00 -2.4335290000e+00 -1.9516960000e+00  1.8744980000e+00 -1.3790460000e+00
+ENERGY -1.526594425254e+02
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+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0116000000e-01 -6.2467900000e-01  5.2425800000e-01  5.6826900000e-01  7.6733400000e-01 -6.7090000000e-02  2.4539700000e-01  2.4992300000e+00 -3.1460530000e+00  6.0054300000e-01  3.1969720000e+00 -2.5953630000e+00 -2.4681400000e-01  2.9579050000e+00 -3.8269180000e+00
+ENERGY -1.526534258297e+02
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+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0176400000e-01 -3.9538500000e-01  6.3070000000e-01  6.1144100000e-01 -7.0245400000e-01 -2.2120200000e-01  9.8230900000e-01  2.1914800000e+00  1.5909140000e+00  1.8055220000e+00  2.5209690000e+00  1.2303740000e+00  7.6185400000e-01  1.4411450000e+00  1.0389830000e+00
+ENERGY -1.526613819197e+02
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+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4249500000e-01  1.3259000000e-01 -4.3457300000e-01 -5.2923200000e-01 -4.7345600000e-01 -6.4186000000e-01 -1.8851080000e+00 -1.4420420000e+00 -1.6473560000e+00 -2.3771810000e+00 -2.2614860000e+00 -1.6984180000e+00 -1.1861690000e+00 -1.5411390000e+00 -2.2938040000e+00
+ENERGY -1.526571911028e+02
+FORCES -5.0116000000e-03 -3.8785000000e-03 -4.3517000000e-03 -3.8001000000e-03 -1.6034000000e-03  4.9200000000e-05  8.9832000000e-03  4.0786000000e-03 -4.9320000000e-04 -1.3397000000e-03 -5.0037000000e-03 -4.4390000000e-04  2.2954000000e-03  3.8646000000e-03 -1.5582000000e-03 -1.1271000000e-03  2.5424000000e-03  6.7978000000e-03
+
+JOB 60
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0851700000e-01  2.6752600000e-01 -5.8537600000e-01  4.4363000000e-01 -4.1513200000e-01  7.3965500000e-01  4.5486700000e-01 -3.7347350000e+00  1.5113300000e-01 -1.7520200000e-01 -3.6271260000e+00  8.6363900000e-01  1.1420640000e+00 -4.2895130000e+00  5.2020400000e-01
+ENERGY -1.526542659274e+02
+FORCES  5.3916000000e-03 -2.4564000000e-03 -4.8140000000e-04 -2.7779000000e-03 -1.4250000000e-04  2.4709000000e-03 -2.3016000000e-03  2.6601000000e-03 -1.7382000000e-03 -1.0890000000e-03 -2.7080000000e-03  3.7873000000e-03  3.4514000000e-03 -2.7660000000e-04 -2.4739000000e-03 -2.6746000000e-03  2.9236000000e-03 -1.5647000000e-03
+
+JOB 61
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0405900000e-01  4.6373700000e-01  2.3381500000e-01  1.6323000000e-01 -5.8526000000e-01  7.3963400000e-01 -1.0034350000e+00 -1.4002960000e+00 -1.9725520000e+00 -2.1152200000e-01 -1.6150340000e+00 -2.4654960000e+00 -6.9262500000e-01 -8.7191100000e-01 -1.2374070000e+00
+ENERGY -1.526577831791e+02
+FORCES -4.2398000000e-03 -5.7611000000e-03 -3.6204000000e-03  3.8854000000e-03 -5.7992000000e-03 -3.5049000000e-03 -1.7667000000e-03  3.1504000000e-03 -4.7514000000e-03  1.1782000000e-02  1.1475300000e-02  1.4431200000e-02 -1.5606000000e-03  2.8320000000e-04  1.8743000000e-03 -8.1003000000e-03 -3.3486000000e-03 -4.4289000000e-03
+
+JOB 62
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6475300000e-01  7.4174000000e-01 -2.1704400000e-01  5.8173300000e-01 -6.2677600000e-01  4.3008200000e-01 -2.1623100000e+00  3.4584200000e-01  1.5584170000e+00 -1.9281900000e+00 -1.1248800000e-01  2.3654810000e+00 -1.3608370000e+00  3.3512200000e-01  1.0351990000e+00
+ENERGY -1.526589156781e+02
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+
+JOB 63
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2118000000e-01  5.8246000000e-01  5.5257900000e-01  6.2094200000e-01 -6.6238100000e-01 -3.0317400000e-01  8.6862900000e-01  2.3426600000e+00  1.1359250000e+00  1.6832210000e+00  2.7912100000e+00  9.0904400000e-01  1.7781200000e-01  2.9380630000e+00  8.4524000000e-01
+ENERGY -1.526603231186e+02
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+
+JOB 64
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4615900000e-01 -4.4656000000e-01 -2.8819000000e-02  1.1061200000e-01  7.6080500000e-01 -5.7024000000e-01 -3.6925100000e-01  2.4113290000e+00 -1.4378430000e+00 -1.1421750000e+00  2.9377710000e+00 -1.2336870000e+00  2.4618900000e-01  3.0306840000e+00 -1.8300980000e+00
+ENERGY -1.526608822641e+02
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+
+JOB 65
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3727700000e-01 -1.7586100000e-01 -5.8457500000e-01  3.8880500000e-01  4.5683700000e-01  7.4589700000e-01 -2.4724330000e+00  1.5987200000e+00  1.6231710000e+00 -2.6293180000e+00  1.3262250000e+00  7.1908800000e-01 -1.7469570000e+00  2.2203430000e+00  1.5640060000e+00
+ENERGY -1.526556985841e+02
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+
+JOB 66
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5551800000e-01 -4.1898000000e-02  3.8240000000e-02  2.3722300000e-01  6.6374400000e-01  6.4761100000e-01 -2.5317100000e+00 -1.6984570000e+00  2.2947600000e-01 -1.8734600000e+00 -2.2001830000e+00  7.1031900000e-01 -2.7007110000e+00 -2.2165200000e+00 -5.5746800000e-01
+ENERGY -1.526605099174e+02
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+
+JOB 67
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+ENERGY -1.526613231141e+02
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+
+JOB 68
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+ENERGY -1.526559609432e+02
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+
+JOB 69
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+ENERGY -1.526595865668e+02
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+
+JOB 70
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+ENERGY -1.526541398752e+02
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+JOB 71
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+ENERGY -1.526550807374e+02
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+JOB 72
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+ENERGY -1.526600953699e+02
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+JOB 73
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+ENERGY -1.526586323084e+02
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+JOB 74
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+ENERGY -1.526571357383e+02
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+JOB 75
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+ENERGY -1.526561244070e+02
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+JOB 76
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+ENERGY -1.526582690658e+02
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+
+JOB 77
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+
+JOB 78
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+
+JOB 79
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+ENERGY -1.526594749248e+02
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+
+JOB 80
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+ENERGY -1.526593720592e+02
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+
+JOB 81
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+
+JOB 82
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+ENERGY -1.526605432006e+02
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+
+JOB 83
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+ENERGY -1.526509070350e+02
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+
+JOB 84
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+ENERGY -1.526608834313e+02
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+
+JOB 85
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+ENERGY -1.526612129179e+02
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+
+JOB 86
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+
+JOB 87
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+
+JOB 88
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+ENERGY -1.526604275028e+02
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+
+JOB 89
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+ENERGY -1.526592388093e+02
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+
+JOB 90
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+ENERGY -1.526571816814e+02
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+
+JOB 91
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+ENERGY -1.526556029736e+02
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+
+JOB 92
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+
+JOB 93
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+ENERGY -1.526548129181e+02
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+JOB 94
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+JOB 95
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+JOB 96
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+JOB 97
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+JOB 98
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+ENERGY -1.526590313047e+02
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+
+JOB 99
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+
+JOB 100
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+
+JOB 101
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+
+JOB 102
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+
+JOB 103
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+ENERGY -1.526588790383e+02
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+
+JOB 104
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+ENERGY -1.526559440461e+02
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+
+JOB 105
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+ENERGY -1.526609123562e+02
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+
+JOB 106
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+
+JOB 107
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+ENERGY -1.526559721693e+02
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+
+JOB 108
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+ENERGY -1.526578975836e+02
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+
+JOB 109
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+
+JOB 110
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+
+JOB 111
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+ENERGY -1.526599789139e+02
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+
+JOB 112
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+JOB 113
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+JOB 114
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+JOB 115
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+JOB 116
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+ENERGY -1.526589623469e+02
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+JOB 117
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+JOB 118
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+JOB 119
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+JOB 120
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+
+JOB 121
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+
+JOB 122
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+
+JOB 123
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+
+JOB 124
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+JOB 125
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+
+JOB 126
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+
+JOB 127
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+
+JOB 128
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+
+JOB 129
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+JOB 130
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+JOB 131
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+JOB 132
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+JOB 133
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+JOB 134
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+JOB 135
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+JOB 136
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+JOB 137
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+JOB 138
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+JOB 139
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+JOB 140
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+JOB 141
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+JOB 142
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+JOB 143
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+JOB 144
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+JOB 145
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+JOB 146
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+JOB 147
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+JOB 148
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+JOB 149
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+JOB 150
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+JOB 151
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+JOB 152
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+JOB 153
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+JOB 154
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+JOB 155
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+JOB 156
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+JOB 157
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+JOB 158
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+JOB 159
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+JOB 160
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+JOB 161
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+JOB 162
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+JOB 163
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+JOB 165
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+JOB 166
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+JOB 167
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+JOB 168
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+JOB 169
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+JOB 170
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+JOB 171
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+JOB 172
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+JOB 173
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+JOB 174
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+JOB 175
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+JOB 176
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+JOB 177
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+JOB 178
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+JOB 179
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+JOB 180
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+JOB 181
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+JOB 182
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+JOB 183
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+JOB 184
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+JOB 185
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+JOB 186
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+
+JOB 187
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9045100000e-01 -5.2291900000e-01 -4.0751000000e-01 -5.9237700000e-01 -6.4455600000e-01  3.8712800000e-01 -7.4888400000e-01  2.3465200000e+00 -1.5107380000e+00 -6.0527700000e-01  2.1749600000e+00 -2.4414240000e+00 -5.2655200000e-01  1.5223460000e+00 -1.0776820000e+00
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+
+JOB 188
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1154600000e-01  5.0701800000e-01  2.3626000000e-02 -1.8767200000e-01 -7.7793800000e-01  5.2518900000e-01  8.8280000000e-01 -2.3957860000e+00  1.4882870000e+00  3.1872100000e-01 -3.1492470000e+00  1.6624790000e+00  1.5575830000e+00 -2.7323870000e+00  8.9871000000e-01
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+
+JOB 189
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+
+JOB 190
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5883200000e-01  8.0993100000e-01  2.2297300000e-01  4.7686600000e-01  2.0773800000e-01 -8.0353900000e-01  1.7021610000e+00  3.8387000000e-01 -1.9803910000e+00  2.2135600000e+00  1.0546810000e+00 -2.4328450000e+00  1.2349890000e+00 -7.3834000000e-02 -2.6793100000e+00
+ENERGY -1.526570910366e+02
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+
+JOB 191
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4832100000e-01 -7.9181600000e-01 -2.9710000000e-01 -6.4260700000e-01 -3.1266700000e-01  6.3681100000e-01 -9.2513500000e-01 -3.4158620000e+00  7.9078500000e-01 -1.0326620000e+00 -2.9158520000e+00  1.5998960000e+00 -1.7237910000e+00 -3.9392590000e+00  7.2418200000e-01
+ENERGY -1.526556841012e+02
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+
+JOB 192
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9264600000e-01 -8.1401000000e-01  1.0449600000e-01  5.6263900000e-01 -1.5569100000e-01 -7.5857100000e-01  8.6052300000e-01 -3.5931090000e+00 -9.4956300000e-01  1.6794240000e+00 -4.0755210000e+00 -1.0631990000e+00  8.3435200000e-01 -2.9869560000e+00 -1.6899180000e+00
+ENERGY -1.526545800923e+02
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+
+JOB 193
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1427000000e-01  7.2822800000e-01  9.2669000000e-02  2.8197000000e-02 -4.0213800000e-01  8.6817200000e-01  1.1422070000e+00 -3.1996690000e+00 -2.3709900000e-01  1.8061910000e+00 -2.5979130000e+00 -5.7362400000e-01  1.6418370000e+00 -3.9390520000e+00  1.0918700000e-01
+ENERGY -1.526556952476e+02
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+
+JOB 194
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0536300000e-01 -5.5601000000e-01  5.9303700000e-01 -5.1169100000e-01 -6.1386700000e-01 -5.2685100000e-01  2.4729150000e+00 -2.3836850000e+00 -8.0600500000e-01  2.7974320000e+00 -2.0055490000e+00 -1.6232770000e+00  2.4545780000e+00 -1.6492550000e+00 -1.9240300000e-01
+ENERGY -1.526548821294e+02
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+
+JOB 195
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5201800000e-01  5.5222700000e-01 -5.5367200000e-01 -5.7457200000e-01 -2.7335900000e-01  7.1510400000e-01  1.1445640000e+00  1.9088490000e+00  1.5118500000e+00  9.9407100000e-01  1.0665900000e+00  1.0826830000e+00  4.0356500000e-01  2.4514290000e+00  1.2421130000e+00
+ENERGY -1.526561213595e+02
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+
+JOB 196
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+
+JOB 197
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+
+JOB 198
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+ENERGY -1.526545860025e+02
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+
+JOB 199
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+ENERGY -1.526515356157e+02
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+
+JOB 200
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+ENERGY -1.526610296083e+02
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+
+JOB 201
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+ENERGY -1.526589540787e+02
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+JOB 202
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+JOB 203
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+JOB 204
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+JOB 205
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+JOB 206
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+JOB 207
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+JOB 208
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+ENERGY -1.526607553711e+02
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+
+JOB 209
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9188000000e-01 -5.3065000000e-01  7.4124800000e-01 -6.6839600000e-01  6.7970300000e-01 -8.6506000000e-02  2.4316490000e+00  1.3523310000e+00 -2.1532400000e-01  2.0392590000e+00  1.9766880000e+00 -8.2560300000e-01  1.7538370000e+00  6.8999900000e-01 -8.0713000000e-02
+ENERGY -1.526597199435e+02
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+
+JOB 210
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5041600000e-01  7.2727900000e-01  2.9041200000e-01  6.1440900000e-01  3.9592800000e-01 -6.1804100000e-01 -1.0004990000e+00 -2.3130680000e+00 -1.2316280000e+00 -8.5547300000e-01 -1.5441730000e+00 -6.8026600000e-01 -7.5200800000e-01 -2.0281170000e+00 -2.1109960000e+00
+ENERGY -1.526597438976e+02
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+
+JOB 211
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6459100000e-01  8.7608100000e-01 -1.2565000000e-01  9.4389100000e-01  1.4112700000e-01  7.3379000000e-02 -1.3607600000e+00 -8.6296300000e-01  2.3878880000e+00 -7.1113500000e-01 -3.5184900000e-01  1.9052060000e+00 -1.9234030000e+00 -1.2374110000e+00  1.7100580000e+00
+ENERGY -1.526589698501e+02
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+
+JOB 212
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0092300000e-01  1.9095400000e-01 -9.1618700000e-01  6.0678000000e-01 -7.3940700000e-01 -3.6448000000e-02 -1.7395870000e+00 -1.9557790000e+00 -5.2509000000e-01 -2.6452750000e+00 -1.6501520000e+00 -4.7456600000e-01 -1.2327940000e+00 -1.2800190000e+00 -7.4823000000e-02
+ENERGY -1.526577131971e+02
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+
+JOB 213
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0502400000e-01  4.6958700000e-01  5.7416600000e-01  7.0503100000e-01 -2.8911300000e-01  5.7929000000e-01 -3.2633450000e+00  7.6794000000e-02 -1.1587360000e+00 -2.7128470000e+00  3.5687300000e-01 -1.8899950000e+00 -3.8228450000e+00 -6.0669000000e-01 -1.5275760000e+00
+ENERGY -1.526559719845e+02
+FORCES -1.1268000000e-03  4.6750000000e-04  5.0797000000e-03  4.5099000000e-03 -1.1463000000e-03 -1.9050000000e-03 -2.9336000000e-03  9.8790000000e-04 -2.2452000000e-03  1.2665000000e-03 -2.6808000000e-03 -4.9199000000e-03 -3.6469000000e-03 -4.3410000000e-04  2.6971000000e-03  1.9310000000e-03  2.8058000000e-03  1.2933000000e-03
+
+JOB 214
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0528200000e-01 -8.1285500000e-01 -1.3719000000e-02 -7.9365200000e-01 -2.1898200000e-01  4.8825700000e-01  1.5111520000e+00 -2.1532800000e+00 -7.0563600000e-01  2.1722290000e+00 -1.8720500000e+00 -1.3381860000e+00  1.0689450000e+00 -2.8878360000e+00 -1.1312080000e+00
+ENERGY -1.526603684391e+02
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+
+JOB 215
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2911400000e-01  1.8361000000e-01 -6.9766400000e-01 -6.8955800000e-01 -5.0880700000e-01 -4.2644700000e-01 -1.9906730000e+00  1.7763020000e+00  1.1625350000e+00 -1.7979440000e+00  9.0923500000e-01  8.0576700000e-01 -2.6712860000e+00  1.6205330000e+00  1.8173130000e+00
+ENERGY -1.526542102993e+02
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+
+JOB 216
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0882300000e-01 -5.8113000000e-01  4.5590900000e-01  4.8888100000e-01  8.1432900000e-01 -1.1872300000e-01 -1.0869700000e+00  3.3004880000e+00  1.2691700000e-01 -1.3752920000e+00  3.1258400000e+00 -7.6896300000e-01 -3.5336000000e-01  3.9074810000e+00  2.8902000000e-02
+ENERGY -1.526546578970e+02
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+
+JOB 217
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+ENERGY -1.526590467813e+02
+FORCES  5.6200000000e-05 -2.9520000000e-04  2.9381000000e-03 -3.6004000000e-03 -3.0851000000e-03 -1.2952000000e-03  3.0090000000e-04  2.9733000000e-03  3.9723000000e-03  8.7058000000e-03  6.7280000000e-04 -9.1068000000e-03  2.1606000000e-03  2.1630000000e-03 -3.6510000000e-04 -7.6232000000e-03 -2.4289000000e-03  3.8567000000e-03
+
+JOB 218
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3359300000e-01 -4.1926500000e-01  7.4326700000e-01  6.8710700000e-01  8.7234000000e-02 -6.6068600000e-01  1.5885520000e+00 -1.1368980000e+00  1.9313980000e+00  2.2752050000e+00 -1.4844560000e+00  1.3622390000e+00  2.0530520000e+00 -8.3921100000e-01  2.7136090000e+00
+ENERGY -1.526589719202e+02
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+
+JOB 219
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+ENERGY -1.526602941648e+02
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+
+JOB 220
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+ENERGY -1.526596748525e+02
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+
+JOB 221
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+ENERGY -1.526601930514e+02
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+
+JOB 222
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+ENERGY -1.526535440918e+02
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+
+JOB 223
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+ENERGY -1.526527005880e+02
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+
+JOB 224
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+ENERGY -1.526563785910e+02
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+
+JOB 225
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+ENERGY -1.526558822844e+02
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+
+JOB 226
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+ENERGY -1.526510087619e+02
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+JOB 227
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+ENERGY -1.526536290025e+02
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+JOB 228
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+ENERGY -1.526523879349e+02
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+JOB 229
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+ENERGY -1.526613249402e+02
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+JOB 230
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+ENERGY -1.526590528707e+02
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+
+JOB 231
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+
+JOB 232
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+
+JOB 233
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+
+JOB 234
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+ENERGY -1.526564133065e+02
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+
+JOB 235
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+ENERGY -1.526582035577e+02
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+
+JOB 236
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+
+JOB 237
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+
+JOB 238
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+
+JOB 239
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+ENERGY -1.526583087806e+02
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+
+JOB 240
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+
+JOB 241
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+ENERGY -1.526553678852e+02
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+JOB 242
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+JOB 243
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+ENERGY -1.526567522916e+02
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+JOB 244
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+JOB 245
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+JOB 246
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+JOB 247
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+JOB 248
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+JOB 249
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+JOB 250
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+JOB 251
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+JOB 252
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+ENERGY -1.526599035868e+02
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+
+JOB 253
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5383600000e-01 -2.6615600000e-01  6.4644500000e-01  6.4430500000e-01 -7.0787000000e-01  4.8730000000e-03  2.2193690000e+00 -1.9045690000e+00 -2.7649100000e-01  2.5985090000e+00 -2.5073900000e+00  3.6311100000e-01  2.7925990000e+00 -1.1383450000e+00 -2.5328100000e-01
+ENERGY -1.526609382844e+02
+FORCES  3.6202000000e-03 -8.5088000000e-03  8.7550000000e-04  2.4164000000e-03  4.3330000000e-04 -1.8039000000e-03 -4.9594000000e-03  9.3308000000e-03  1.1662000000e-03  5.3805000000e-03 -6.2020000000e-04  1.8490000000e-03 -1.4379000000e-03  3.2864000000e-03 -3.0500000000e-03 -5.0197000000e-03 -3.9215000000e-03  9.6330000000e-04
+
+JOB 254
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6799700000e-01  4.3774700000e-01  5.2762600000e-01  5.0105400000e-01 -5.1873900000e-01  6.2935400000e-01 -2.6618790000e+00 -2.3684840000e+00  6.9110800000e-01 -1.7608200000e+00 -2.6751500000e+00  5.8971200000e-01 -2.7798560000e+00 -2.2787230000e+00  1.6367600000e+00
+ENERGY -1.526538470396e+02
+FORCES -2.0503000000e-03  5.8220000000e-04  4.3753000000e-03  3.9214000000e-03 -1.2605000000e-03 -1.6128000000e-03 -2.5087000000e-03  1.0484000000e-03 -2.6215000000e-03  3.6000000000e-03 -1.3356000000e-03  1.9713000000e-03 -3.9133000000e-03  5.4270000000e-04  1.8036000000e-03  9.5080000000e-04  4.2290000000e-04 -3.9159000000e-03
+
+JOB 255
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2291500000e-01  4.1512900000e-01 -2.5828400000e-01 -2.4344800000e-01 -5.3902600000e-01 -7.5260600000e-01 -1.7473870000e+00  2.1646700000e+00 -4.1155600000e-01 -1.8894480000e+00  2.5299110000e+00 -1.2848540000e+00 -1.0995410000e+00  1.4724670000e+00 -5.4339900000e-01
+ENERGY -1.526574576472e+02
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+
+JOB 256
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9342200000e-01 -1.9589200000e-01 -6.3009800000e-01 -5.5422900000e-01  6.4130700000e-01 -4.4473400000e-01  1.1445020000e+00 -6.8783300000e-01 -2.3832770000e+00  2.0095690000e+00 -1.0955960000e+00 -2.4235340000e+00  1.1891340000e+00  3.2307000000e-02 -3.0122740000e+00
+ENERGY -1.526576333995e+02
+FORCES  4.1648000000e-03 -2.6265000000e-03 -1.5389800000e-02  4.5500000000e-05  2.1024000000e-03  8.4148000000e-03  1.2410000000e-03 -9.0270000000e-04  1.4841000000e-03 -3.3210000000e-04  1.7384000000e-03 -7.6100000000e-05 -4.7642000000e-03  3.2260000000e-03  1.5627000000e-03 -3.5520000000e-04 -3.5377000000e-03  4.0043000000e-03
+
+JOB 257
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7019000000e-01 -1.8500100000e-01 -8.1297500000e-01  2.5878100000e-01 -7.0559100000e-01  5.9279500000e-01 -1.9578410000e+00  1.9897310000e+00  2.4649200000e-01 -1.2974780000e+00  2.1820210000e+00  9.1220700000e-01 -1.6256290000e+00  1.2131310000e+00 -2.0379600000e-01
+ENERGY -1.526590513293e+02
+FORCES  5.7210000000e-04 -1.4771000000e-03  7.4550000000e-04 -3.1352000000e-03  7.5090000000e-04  4.0632000000e-03 -1.7120000000e-04  3.6336000000e-03 -3.1632000000e-03  1.0901400000e-02 -8.6348000000e-03  1.1623000000e-03 -3.0962000000e-03  1.8185000000e-03 -1.1250000000e-04 -5.0709000000e-03  3.9089000000e-03 -2.6953000000e-03
+
+JOB 258
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9652700000e-01  6.2913500000e-01  1.8780600000e-01 -4.2159200000e-01 -6.7197900000e-01 -5.3566500000e-01 -1.8410180000e+00  1.7633850000e+00  7.7456700000e-01 -2.4599160000e+00  1.9836960000e+00  7.8391000000e-02 -1.4848740000e+00  2.6065300000e+00  1.0547450000e+00
+ENERGY -1.526592268057e+02
+FORCES -1.2961800000e-02  1.0072300000e-02  5.3137000000e-03  6.4597000000e-03 -6.4545000000e-03 -5.2179000000e-03 -5.0720000000e-04  3.2343000000e-03  1.3873000000e-03  5.2969000000e-03 -7.0200000000e-04 -2.2671000000e-03  4.5036000000e-03 -1.8951000000e-03  3.1402000000e-03 -2.7912000000e-03 -4.2550000000e-03 -2.3562000000e-03
+
+JOB 259
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9577600000e-01 -6.6297500000e-01  6.2387000000e-01 -8.9239300000e-01  2.0847500000e-01  2.7641300000e-01  8.9826200000e-01 -3.1084160000e+00 -5.8089300000e-01  1.5011600000e+00 -2.6585540000e+00 -1.1728140000e+00  4.6240000000e-01 -3.7590750000e+00 -1.1312560000e+00
+ENERGY -1.526568009545e+02
+FORCES -2.4679000000e-03 -4.7315000000e-03  3.4477000000e-03 -7.2020000000e-04  5.7344000000e-03 -1.3101000000e-03  3.1995000000e-03 -6.2140000000e-04 -1.0361000000e-03 -1.6570000000e-04  1.9270000000e-04 -6.1291000000e-03 -1.7763000000e-03 -2.9201000000e-03  2.9597000000e-03  1.9306000000e-03  2.3460000000e-03  2.0679000000e-03
+
+JOB 260
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7997100000e-01  4.5499500000e-01  7.5155400000e-01 -5.2416400000e-01  6.6649600000e-01 -4.4414700000e-01  1.7557550000e+00 -4.2752500000e-01 -1.9379510000e+00  1.1310830000e+00 -1.0427150000e+00 -2.3220840000e+00  1.4050300000e+00 -2.4190000000e-01 -1.0668780000e+00
+ENERGY -1.526573357113e+02
+FORCES  2.1835000000e-03  2.6533000000e-03 -6.7425000000e-03  2.9870000000e-04 -2.3650000000e-03 -6.4809000000e-03  3.1065000000e-03 -3.7179000000e-03  2.8219000000e-03 -1.4743200000e-02 -6.9700000000e-04  1.3959300000e-02  1.5217000000e-03  1.9968000000e-03 -6.1600000000e-04  7.6328000000e-03  2.1297000000e-03 -2.9419000000e-03
+
+JOB 261
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8718000000e-01  8.3610800000e-01  4.2675400000e-01  6.9068700000e-01 -5.8667900000e-01  3.0820600000e-01 -3.9590840000e+00  8.1818400000e-01 -8.0644900000e-01 -3.6650370000e+00  1.0509090000e+00  7.4237000000e-02 -4.6271710000e+00  1.4705800000e-01 -6.6687500000e-01
+ENERGY -1.526534692786e+02
+FORCES  4.0456000000e-03  1.0868000000e-03  2.3183000000e-03 -1.2038000000e-03 -3.5336000000e-03 -1.3711000000e-03 -3.0086000000e-03  2.3943000000e-03 -1.2680000000e-03 -2.3220000000e-04 -2.6914000000e-03  4.2387000000e-03 -1.9373000000e-03 -7.8500000000e-05 -3.2941000000e-03  2.3363000000e-03  2.8223000000e-03 -6.2370000000e-04
+
+JOB 262
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4628900000e-01 -4.8484200000e-01 -5.1329400000e-01 -6.0184700000e-01  3.6078100000e-01 -6.5103700000e-01  2.9856200000e-01  1.3819520000e+00  2.3048820000e+00  3.6818400000e-01  8.9374500000e-01  1.4844930000e+00  1.0819020000e+00  1.9317120000e+00  2.3242110000e+00
+ENERGY -1.526603458467e+02
+FORCES -7.6840000000e-04  3.1808000000e-03  1.4679000000e-03 -3.4150000000e-03  3.2683000000e-03  1.9059000000e-03  3.9888000000e-03 -2.8431000000e-03  1.9528000000e-03  5.5700000000e-05 -6.4442000000e-03 -1.2053400000e-02  2.1050000000e-03  5.2045000000e-03  8.2583000000e-03 -1.9660000000e-03 -2.3664000000e-03 -1.5315000000e-03
+
+JOB 263
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1896800000e-01  6.1984700000e-01  7.1963100000e-01  3.8002000000e-01  4.3956900000e-01 -7.6065500000e-01 -1.8922190000e+00 -1.8889320000e+00 -2.7457900000e-01 -1.1393130000e+00 -1.3246750000e+00 -4.5058800000e-01 -2.5323930000e+00 -1.3119220000e+00  1.4191700000e-01
+ENERGY -1.526576020361e+02
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+
+JOB 264
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5800000000e-01 -6.0776200000e-01  4.8527600000e-01  5.6774600000e-01  3.5172100000e-01 -6.8570300000e-01 -2.9106070000e+00 -1.2122560000e+00  1.2372180000e+00 -2.1458030000e+00 -1.7629740000e+00  1.4045970000e+00 -2.7144900000e+00 -7.7454000000e-01  4.0886100000e-01
+ENERGY -1.526564782306e+02
+FORCES  6.1387000000e-03  1.7220000000e-04 -6.0190000000e-04 -3.1176000000e-03  1.8782000000e-03 -2.2291000000e-03 -2.4936000000e-03 -1.6113000000e-03  3.1046000000e-03  6.1679000000e-03  1.5333000000e-03 -3.9506000000e-03 -2.7689000000e-03  7.7090000000e-04  5.2000000000e-04 -3.9263000000e-03 -2.7432000000e-03  3.1569000000e-03
+
+JOB 265
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4878000000e-02  5.1520900000e-01  8.0410300000e-01 -8.0595300000e-01 -5.0592300000e-01  1.0350500000e-01  5.7526900000e-01  1.9787790000e+00  1.7669660000e+00  1.1209070000e+00  2.4495650000e+00  1.1369890000e+00  2.1138500000e-01  2.6635300000e+00  2.3281580000e+00
+ENERGY -1.526606393667e+02
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+
+JOB 266
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7480400000e-01  5.4480600000e-01 -1.3819100000e-01 -1.7905000000e-02 -2.1029000000e-01  9.3364300000e-01 -1.1840530000e+00 -4.6443800000e-01  2.4621930000e+00 -1.7682370000e+00 -1.1079530000e+00  2.0611340000e+00 -7.2788300000e-01 -9.4994500000e-01  3.1495230000e+00
+ENERGY -1.526590273081e+02
+FORCES -7.2450000000e-03  1.6113000000e-03  1.3269000000e-02  1.5535000000e-03 -2.1627000000e-03 -1.3510000000e-03  4.9092000000e-03 -1.8391000000e-03 -6.6249000000e-03 -1.7078000000e-03 -3.5502000000e-03 -1.9666000000e-03  3.7247000000e-03  3.7822000000e-03  1.8867000000e-03 -1.2346000000e-03  2.1584000000e-03 -5.2133000000e-03
+
+JOB 267
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+ENERGY -1.526583843904e+02
+FORCES  9.6190000000e-04  2.6498000000e-03  1.8856000000e-03  2.3612000000e-03  4.2075000000e-03 -1.8497000000e-03  2.9013000000e-03 -2.0723000000e-03  5.1140000000e-03 -6.2147000000e-03 -1.4276700000e-02 -5.9194000000e-03  1.3544000000e-03  8.2653000000e-03  2.1175000000e-03 -1.3641000000e-03  1.2263000000e-03 -1.3481000000e-03
+
+JOB 268
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+ENERGY -1.526594785325e+02
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+
+JOB 269
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+ENERGY -1.526617709991e+02
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+
+JOB 270
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+ENERGY -1.526548049083e+02
+FORCES  8.4436000000e-03  2.1225000000e-03 -1.6077600000e-02  1.7947000000e-03 -5.4880000000e-04 -4.8791000000e-03 -4.1840000000e-04  4.3278000000e-03  9.8297000000e-03 -5.6609000000e-03 -1.2400000000e-04  4.3090000000e-03  2.9813000000e-03 -8.7570000000e-04  4.8241000000e-03 -7.1403000000e-03 -4.9018000000e-03  1.9939000000e-03
+
+JOB 271
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+ENERGY -1.526520232174e+02
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+
+JOB 272
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+ENERGY -1.526535474994e+02
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+JOB 273
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+ENERGY -1.526583207652e+02
+FORCES  5.6890000000e-04 -2.3230000000e-04 -5.5173000000e-03 -2.4028000000e-03 -2.1579000000e-03  4.0242000000e-03  5.8508000000e-03  1.2681000000e-03  1.0955000000e-03 -9.3600000000e-03  7.3139000000e-03 -3.6961000000e-03  5.6580000000e-04  1.3192000000e-03  1.8696000000e-03  4.7774000000e-03 -7.5110000000e-03  2.2240000000e-03
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+JOB 274
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+JOB 275
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+JOB 276
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+JOB 277
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+JOB 278
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+JOB 279
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+JOB 280
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+JOB 281
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+JOB 282
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+JOB 283
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+JOB 284
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+JOB 285
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+JOB 286
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+JOB 287
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+JOB 288
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+JOB 289
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+JOB 290
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+JOB 291
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+JOB 292
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+JOB 293
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+JOB 294
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+
+JOB 297
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+
+JOB 298
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+
+JOB 299
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+
+JOB 300
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+
+JOB 301
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+
+JOB 302
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+
+JOB 303
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+JOB 304
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+
+JOB 305
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+JOB 306
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+JOB 307
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+JOB 308
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+JOB 309
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+JOB 310
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+JOB 311
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+JOB 312
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+JOB 313
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+JOB 314
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+JOB 315
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+JOB 316
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+JOB 317
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+JOB 318
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+JOB 319
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+JOB 320
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+JOB 321
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+JOB 322
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+JOB 323
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+JOB 324
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+JOB 325
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+JOB 326
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+JOB 327
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+JOB 328
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+JOB 329
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+JOB 330
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+JOB 331
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+JOB 332
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+JOB 333
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+JOB 334
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+JOB 335
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+JOB 336
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+JOB 337
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+JOB 338
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+JOB 339
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+JOB 341
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+
+JOB 342
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+JOB 343
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+JOB 344
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+JOB 345
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+JOB 346
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+JOB 347
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+JOB 348
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+JOB 349
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+JOB 350
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+JOB 351
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+JOB 352
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+JOB 353
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+JOB 354
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+JOB 355
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+JOB 356
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+JOB 357
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+JOB 358
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+JOB 359
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+JOB 360
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+JOB 361
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+JOB 362
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+JOB 363
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+JOB 364
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+JOB 365
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+JOB 366
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+JOB 367
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+JOB 368
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+JOB 369
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+JOB 370
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+JOB 371
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+JOB 372
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+JOB 373
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+JOB 374
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+JOB 375
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+JOB 376
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+JOB 377
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+JOB 378
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+JOB 379
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+JOB 380
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+JOB 381
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+JOB 382
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+JOB 383
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+JOB 384
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+JOB 385
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+JOB 386
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+JOB 387
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+JOB 388
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+JOB 389
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+JOB 390
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+JOB 391
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+JOB 392
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+JOB 393
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+JOB 394
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+JOB 395
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+JOB 396
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+JOB 397
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+JOB 398
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+JOB 399
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+JOB 400
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+JOB 401
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+JOB 402
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+JOB 403
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+JOB 404
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+JOB 405
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+JOB 406
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+ENERGY -1.526530930873e+02
+FORCES  1.2484000000e-03 -1.0418000000e-03 -3.3785000000e-03  2.4106000000e-03 -3.2100000000e-03  1.7534000000e-03 -4.1070000000e-03  2.5894000000e-03 -9.5900000000e-05  5.4200000000e-05 -5.4578000000e-03 -1.9370000000e-03  2.7882000000e-03  3.5916000000e-03  3.2906000000e-03 -2.3944000000e-03  3.5286000000e-03  3.6750000000e-04
+
+JOB 407
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8525100000e-01 -4.9632700000e-01 -6.5910700000e-01  6.4754400000e-01  1.9717300000e-01  6.7678700000e-01 -2.3646780000e+00  1.0534990000e+00  1.5202630000e+00 -1.7649970000e+00  7.8541100000e-01  8.2402700000e-01 -1.8126700000e+00  1.1220880000e+00  2.2992460000e+00
+ENERGY -1.526593112473e+02
+FORCES  4.1729000000e-03 -2.1707000000e-03 -1.2031000000e-03 -8.5740000000e-04  2.2705000000e-03  3.6847000000e-03 -3.8017000000e-03 -6.9280000000e-04 -2.6944000000e-03  7.1579000000e-03 -3.2834000000e-03 -3.0697000000e-03 -5.4797000000e-03  3.8963000000e-03  5.5884000000e-03 -1.1920000000e-03 -1.9900000000e-05 -2.3059000000e-03
+
+JOB 408
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1312000000e-01  2.6884800000e-01 -5.7914800000e-01  7.8419800000e-01  4.7742000000e-02 -5.4679600000e-01 -2.2525790000e+00  1.1698350000e+00 -1.0579960000e+00 -2.5290840000e+00  1.0898850000e+00 -1.9708960000e+00 -3.0702250000e+00  1.1960570000e+00 -5.6100600000e-01
+ENERGY -1.526599512163e+02
+FORCES -8.7164000000e-03  5.9326000000e-03 -5.5188000000e-03  8.7978000000e-03 -5.1371000000e-03  1.3081000000e-03 -3.5540000000e-03  3.3330000000e-04  3.8800000000e-04 -1.5051000000e-03 -1.3730000000e-03  3.1367000000e-03  2.0167000000e-03 -1.7150000000e-04  4.8150000000e-03  2.9610000000e-03  4.1580000000e-04 -4.1290000000e-03
+
+JOB 409
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9353900000e-01 -8.1839600000e-01 -4.0036900000e-01 -8.3924100000e-01 -2.1853200000e-01  4.0515400000e-01 -8.4659000000e-02  1.1739480000e+00 -3.0843690000e+00 -4.3896600000e-01  4.5045500000e-01 -2.5674000000e+00 -8.5662000000e-01  1.6308730000e+00 -3.4183260000e+00
+ENERGY -1.526542563775e+02
+FORCES -2.8670000000e-04 -3.9763000000e-03  3.0022000000e-03 -2.7677000000e-03  4.4803000000e-03  5.8800000000e-05  3.5083000000e-03  1.2500000000e-03 -2.9324000000e-03 -4.2638000000e-03 -5.6160000000e-04  4.1347000000e-03  9.3520000000e-04  6.4060000000e-04 -5.5704000000e-03  2.8747000000e-03 -1.8330000000e-03  1.3070000000e-03
+
+JOB 410
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0722600000e-01  6.9328800000e-01  6.5121900000e-01  8.7571100000e-01 -3.7349500000e-01 -9.9314000000e-02 -2.1822100000e+00 -1.5831920000e+00  8.3724000000e-01 -2.4435490000e+00 -1.3232590000e+00 -4.6144000000e-02 -1.3638940000e+00 -1.1119560000e+00  9.9385100000e-01
+ENERGY -1.526588734978e+02
+FORCES  2.7199000000e-03  2.7600000000e-04 -1.7900000000e-05 -1.5889000000e-03 -5.6522000000e-03 -2.1155000000e-03 -4.6101000000e-03  2.1287000000e-03  1.2052000000e-03  9.5245000000e-03  7.6999000000e-03 -7.6996000000e-03 -1.8164000000e-03 -1.9644000000e-03  2.3954000000e-03 -4.2290000000e-03 -2.4879000000e-03  6.2324000000e-03
+
+JOB 411
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8952600000e-01  2.4430000000e-02 -9.3793100000e-01 -1.7812500000e-01  9.1124800000e-01  2.3265900000e-01  5.2137900000e-01  4.6070000000e-02 -2.6638110000e+00  1.7722100000e-01  5.2168400000e-01 -3.4198390000e+00  1.2055460000e+00 -5.1711600000e-01 -3.0257080000e+00
+ENERGY -1.526602770568e+02
+FORCES  2.1756000000e-03  2.8722000000e-03 -1.3718700000e-02 -3.3430000000e-04 -1.1504000000e-03  8.4150000000e-03  1.8550000000e-04 -2.2115000000e-03 -1.3734000000e-03 -1.2297000000e-03 -1.2540000000e-04  3.7133000000e-03  3.0691000000e-03 -2.7746000000e-03  2.4444000000e-03 -3.8662000000e-03  3.3897000000e-03  5.1950000000e-04
+
+JOB 412
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8080400000e-01 -7.9974700000e-01  4.4473200000e-01  1.3592400000e-01 -1.8211200000e-01 -9.2983400000e-01 -1.3424480000e+00  2.7345440000e+00  1.9935800000e-01 -1.2291710000e+00  3.6819250000e+00  1.2274700000e-01 -5.7448000000e-01  2.3650050000e+00 -2.3641500000e-01
+ENERGY -1.526555669263e+02
+FORCES  5.9000000000e-04 -5.8546000000e-03  2.6690000000e-04 -1.1728000000e-03  2.9482000000e-03 -2.5219000000e-03 -2.7780000000e-04  2.6989000000e-03  4.1673000000e-03  4.7438000000e-03 -1.0727000000e-03 -1.0753000000e-03 -1.2450000000e-04 -4.1465000000e-03  3.4800000000e-04 -3.7588000000e-03  5.4267000000e-03 -1.1850000000e-03
+
+JOB 413
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3003000000e-01  3.5950000000e-01  8.7754400000e-01  2.7344400000e-01  7.4981600000e-01 -5.2842800000e-01  3.7064420000e+00  4.4244000000e-02  7.5390000000e-02  3.2642870000e+00 -8.1416000000e-02 -7.6421800000e-01  4.0476800000e+00  9.3766600000e-01  3.5571000000e-02
+ENERGY -1.526537456919e+02
+FORCES  1.3802000000e-03  4.4263000000e-03  3.1167000000e-03 -4.5650000000e-04 -1.1514000000e-03 -3.8429000000e-03 -6.3010000000e-04 -3.2216000000e-03  1.2334000000e-03 -8.8670000000e-04  1.6856000000e-03 -3.7522000000e-03  2.6706000000e-03  1.6822000000e-03  2.9521000000e-03 -2.0774000000e-03 -3.4212000000e-03  2.9290000000e-04
+
+JOB 414
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0024700000e-01  6.0098000000e-02 -3.1965000000e-01  4.7146300000e-01  6.7991200000e-01 -4.8132600000e-01 -1.5509100000e-01 -6.4229200000e-01  2.7295020000e+00  7.2263000000e-02 -4.5782400000e-01  1.8181770000e+00  2.6753100000e-01  5.6726000000e-02  3.2284970000e+00
+ENERGY -1.526611467924e+02
+FORCES -2.6045000000e-03  2.0293000000e-03  2.3770000000e-04  5.1201000000e-03  5.0590000000e-04  6.0920000000e-04 -3.1475000000e-03 -2.7715000000e-03  1.9705000000e-03  2.7465000000e-03  4.7027000000e-03 -1.0326500000e-02 -1.1190000000e-03 -2.7907000000e-03  9.5450000000e-03 -9.9560000000e-04 -1.6757000000e-03 -2.0358000000e-03
+
+JOB 415
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3375300000e-01 -4.6501000000e-01 -8.2589800000e-01 -3.3901500000e-01  8.5681200000e-01 -2.5917800000e-01 -2.9184700000e-01  8.5375300000e-01  2.7472160000e+00  6.3190000000e-03  4.7912000000e-01  1.9183740000e+00 -9.4288100000e-01  1.5082970000e+00  2.4943170000e+00
+ENERGY -1.526583194371e+02
+FORCES -1.8380000000e-04 -4.4720000000e-04 -3.4015000000e-03 -1.4556000000e-03  3.4030000000e-03  2.7454000000e-03  1.5115000000e-03 -4.0659000000e-03  3.3055000000e-03 -5.5960000000e-04 -3.0952000000e-03 -8.3638000000e-03 -1.7300000000e-03  5.8359000000e-03  5.9896000000e-03  2.4176000000e-03 -1.6306000000e-03 -2.7520000000e-04
+
+JOB 416
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1505400000e-01 -4.5454000000e-02  4.9985300000e-01  2.5401300000e-01 -2.2736700000e-01 -8.9443500000e-01 -1.2603400000e+00  2.2968820000e+00 -3.0895600000e-01 -8.3568200000e-01  1.4392190000e+00 -3.2659200000e-01 -5.4132100000e-01  2.9183890000e+00 -1.9505400000e-01
+ENERGY -1.526568601588e+02
+FORCES -3.0640000000e-04  7.6318000000e-03  1.0727000000e-03 -3.5684000000e-03 -2.0880000000e-04 -3.9440000000e-03 -2.1478000000e-03  4.6886000000e-03  5.2545000000e-03  1.1084400000e-02 -1.5496100000e-02  4.3817000000e-03 -3.8663000000e-03  5.6465000000e-03 -6.6139000000e-03 -1.1955000000e-03 -2.2619000000e-03 -1.5100000000e-04
+
+JOB 417
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1649200000e-01 -1.5139500000e-01 -2.3098300000e-01 -3.7291000000e-02  5.5946800000e-01  7.7578200000e-01 -3.2986690000e+00 -1.5665460000e+00  9.9163400000e-01 -3.2689510000e+00 -1.5911010000e+00  1.9480580000e+00 -3.7656530000e+00 -2.3650180000e+00  7.4546200000e-01
+ENERGY -1.526568816285e+02
+FORCES -5.5760000000e-03  6.1480000000e-04  2.3430000000e-03  5.7324000000e-03  2.1451000000e-03 -2.9440000000e-04  6.5610000000e-04 -1.8961000000e-03 -2.6449000000e-03 -2.2692000000e-03 -4.6074000000e-03  3.2885000000e-03 -2.8750000000e-04  3.6190000000e-04 -3.9927000000e-03  1.7441000000e-03  3.3817000000e-03  1.3005000000e-03
+
+JOB 418
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1132900000e-01 -1.2663500000e-01 -9.2495200000e-01  4.5882400000e-01 -8.0100400000e-01  2.5319000000e-01 -1.1579900000e-01 -7.8786900000e-01 -2.7454490000e+00  8.0459200000e-01 -1.0182230000e+00 -2.8721410000e+00 -3.0318000000e-01 -1.5703200000e-01 -3.4405500000e+00
+ENERGY -1.526605284335e+02
+FORCES -8.9190000000e-04 -6.0730000000e-03 -1.0778600000e-02  1.0459000000e-03  3.8548000000e-03  9.0403000000e-03 -4.0780000000e-04  2.4532000000e-03 -8.4680000000e-04  3.5659000000e-03  1.5159000000e-03 -2.4405000000e-03 -4.8525000000e-03  1.2796000000e-03  1.1876000000e-03  1.5403000000e-03 -3.0305000000e-03  3.8380000000e-03
+
+JOB 419
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9117200000e-01  8.7317200000e-01 -2.8066000000e-02 -1.9278400000e-01 -3.2113400000e-01  8.8087400000e-01 -5.8875300000e-01  2.5447530000e+00 -1.0870880000e+00  4.8841000000e-02  3.1724110000e+00 -7.4686400000e-01 -3.1354700000e-01  2.3889150000e+00 -1.9905300000e+00
+ENERGY -1.526610045668e+02
+FORCES -3.7626000000e-03  8.0207000000e-03 -1.7138000000e-03  2.8213000000e-03 -9.0353000000e-03  5.5778000000e-03  2.5470000000e-04  2.9957000000e-03 -2.8214000000e-03  4.9190000000e-03 -5.9070000000e-04 -4.2407000000e-03 -3.0248000000e-03 -3.6449000000e-03 -1.0919000000e-03 -1.2075000000e-03  2.2545000000e-03  4.2900000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3336200000e-01  6.1908900000e-01 -6.9174000000e-01  9.5494600000e-01 -5.3538000000e-02 -3.7987000000e-02  2.6545100000e+00 -1.5560900000e-01  4.5700000000e-04  2.8340690000e+00 -1.0836290000e+00 -1.5043900000e-01  3.2266360000e+00  3.0270500000e-01 -6.1505300000e-01
+ENERGY -1.526589508843e+02
+FORCES  1.7820500000e-02  1.6861000000e-03 -1.2355000000e-03  1.9219000000e-03 -1.4586000000e-03  1.5283000000e-03 -9.4515000000e-03 -2.8940000000e-03 -3.9910000000e-04 -5.3828000000e-03  2.3900000000e-05 -2.6028000000e-03 -2.0052000000e-03  5.9592000000e-03 -5.0200000000e-05 -2.9029000000e-03 -3.3165000000e-03  2.7593000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1535600000e-01  8.3651400000e-01  4.1242900000e-01  5.9783500000e-01 -6.1192000000e-02 -7.4503700000e-01 -2.6667650000e+00 -5.0943000000e-02 -1.6355100000e-01 -2.8973660000e+00  6.9852900000e-01  3.8539900000e-01 -1.7097200000e+00 -6.7186000000e-02 -1.5780700000e-01
+ENERGY -1.526586434008e+02
+FORCES -4.9831000000e-03  2.1096000000e-03 -2.3896000000e-03 -2.3180000000e-03 -4.2006000000e-03 -2.8825000000e-03 -2.6360000000e-03  1.3183000000e-03  4.5418000000e-03  1.7214000000e-02  8.6920000000e-04  1.8629000000e-03  2.2672000000e-03 -1.5483000000e-03 -1.2718000000e-03 -9.5441000000e-03  1.4517000000e-03  1.3930000000e-04
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2129500000e-01  1.1850700000e-01 -8.5129200000e-01 -9.3105100000e-01 -8.9501000000e-02 -2.0338300000e-01  3.3606810000e+00 -1.0691400000e-01 -1.3283000000e-01  3.0940040000e+00 -9.6941300000e-01  1.8530700000e-01  2.9816390000e+00 -4.6828000000e-02 -1.0097270000e+00
+ENERGY -1.526528814546e+02
+FORCES -2.3838000000e-03  1.5289000000e-03 -4.0104000000e-03 -8.8930000000e-04 -1.7269000000e-03  2.6135000000e-03  4.3675000000e-03  3.5300000000e-04  1.0312000000e-03 -3.6241000000e-03 -3.7180000000e-03 -4.5490000000e-04  2.5294000000e-03  3.2782000000e-03 -2.1508000000e-03  3.0000000000e-07  2.8480000000e-04  2.9715000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4174600000e-01  1.2645600000e-01  1.1556200000e-01 -3.3755700000e-01 -1.1452700000e-01  8.8835300000e-01 -4.0314200000e-01  3.0979330000e+00  1.3899330000e+00 -4.9040000000e-02  2.3592620000e+00  1.8851190000e+00  1.4656900000e-01  3.1482060000e+00  6.0793500000e-01
+ENERGY -1.526529707820e+02
+FORCES  1.0119000000e-03 -1.1719000000e-03  3.6706000000e-03 -4.3910000000e-03  1.0638000000e-03  3.0000000000e-07  2.6073000000e-03  1.2325000000e-03 -3.2036000000e-03  3.2036000000e-03 -4.2934000000e-03 -3.7018000000e-03 -1.2402000000e-03  1.9728000000e-03 -7.7880000000e-04 -1.1917000000e-03  1.1962000000e-03  4.0133000000e-03
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5872800000e-01  8.6329700000e-01 -3.2250600000e-01  9.5382600000e-01 -9.9950000000e-03 -7.9671000000e-02 -1.6936820000e+00 -1.8319860000e+00 -1.5038740000e+00 -1.0467030000e+00 -1.4677560000e+00 -8.9973300000e-01 -2.5165190000e+00 -1.4094190000e+00 -1.2576880000e+00
+ENERGY -1.526607289854e+02
+FORCES  1.9730000000e-03  3.8229000000e-03 -3.1190000000e-03  1.5027000000e-03 -3.9304000000e-03  2.0329000000e-03 -4.7564000000e-03  3.7670000000e-04  3.4900000000e-05  3.9022000000e-03  7.0937000000e-03  7.3309000000e-03 -4.9049000000e-03 -6.6092000000e-03 -4.9839000000e-03  2.2835000000e-03 -7.5370000000e-04 -1.2957000000e-03
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3115900000e-01  2.1915700000e-01  3.3830000000e-02  2.2969300000e-01  7.0771000000e-02 -9.2653400000e-01  1.7045700000e+00 -1.8737100000e+00  1.3701380000e+00  9.6658100000e-01 -1.6116910000e+00  8.1973000000e-01  1.5939180000e+00 -1.3691990000e+00  2.1760260000e+00
+ENERGY -1.526598516368e+02
+FORCES -9.3780000000e-04  2.0030000000e-03 -3.1837000000e-03  4.8170000000e-03 -1.0505000000e-03 -1.9690000000e-04 -2.0195000000e-03 -9.8940000000e-04  4.7130000000e-03 -7.3711000000e-03  9.2203000000e-03 -2.0665000000e-03  4.5940000000e-03 -6.7499000000e-03  1.9407000000e-03  9.1730000000e-04 -2.4335000000e-03 -1.2065000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1388000000e-02 -4.0916100000e-01  8.6477400000e-01 -8.0937200000e-01 -2.7999900000e-01 -4.2749300000e-01  1.7251770000e+00 -1.9037420000e+00 -1.6322180000e+00  1.2072070000e+00 -1.1219340000e+00 -1.4406050000e+00  1.3527410000e+00 -2.5823220000e+00 -1.0691440000e+00
+ENERGY -1.526582609223e+02
+FORCES -3.5326000000e-03 -1.5842000000e-03  4.7668000000e-03 -4.7780000000e-04  1.3727000000e-03 -4.5612000000e-03  5.9634000000e-03 -2.1880000000e-04  9.6280000000e-04 -5.2034000000e-03  4.6875000000e-03  6.8548000000e-03  2.2203000000e-03 -5.6381000000e-03 -6.1553000000e-03  1.0301000000e-03  1.3809000000e-03 -1.8678000000e-03
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0790100000e-01 -9.4874600000e-01 -6.6861000000e-02  6.3748700000e-01  3.5815900000e-01 -6.1770900000e-01 -1.4099560000e+00 -1.5269970000e+00  2.7467160000e+00 -1.5155280000e+00 -2.4153300000e+00  2.4062010000e+00 -4.7936800000e-01 -1.4611200000e+00  2.9609520000e+00
+ENERGY -1.526528730143e+02
+FORCES  1.8610000000e-03 -2.6773000000e-03 -3.0475000000e-03  5.9330000000e-04  3.5719000000e-03  2.0330000000e-04 -2.8284000000e-03 -1.4862000000e-03  3.0586000000e-03  3.3453000000e-03 -1.6667000000e-03 -1.0340000000e-04  9.3330000000e-04  3.8012000000e-03  5.6900000000e-04 -3.9045000000e-03 -1.5428000000e-03 -6.8000000000e-04
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4701200000e-01 -5.1108500000e-01 -3.1144300000e-01  1.7357300000e-01 -3.3929700000e-01  8.7805600000e-01  1.1855000000e-01  2.8619880000e+00 -1.2649100000e-01  8.2086500000e-01  3.0900930000e+00 -7.3555100000e-01  6.0585000000e-02  1.9077050000e+00 -1.7356500000e-01
+ENERGY -1.526622768160e+02
+FORCES -2.1693000000e-03 -1.8582000000e-03  2.7618000000e-03  3.8223000000e-03  1.9370000000e-03  2.2200000000e-03 -1.4878000000e-03  8.0270000000e-04 -4.6867000000e-03  1.3893000000e-03 -1.0381400000e-02 -1.6066000000e-03 -2.0467000000e-03 -1.1767000000e-03  1.7496000000e-03  4.9230000000e-04  1.0676600000e-02 -4.3810000000e-04
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1687900000e-01  8.1508000000e-01  4.8807300000e-01  9.4831300000e-01 -8.8996000000e-02 -9.4942000000e-02 -1.5534800000e+00  1.6868750000e+00  1.3256700000e+00 -2.3229360000e+00  1.2810350000e+00  9.2634100000e-01 -1.5384830000e+00  1.3449050000e+00  2.2195730000e+00
+ENERGY -1.526594056973e+02
+FORCES -6.2303000000e-03  9.5494000000e-03  5.6580000000e-03  7.0881000000e-03 -6.8911000000e-03 -3.6429000000e-03 -3.6474000000e-03  2.5756000000e-03  2.4948000000e-03 -1.2595000000e-03 -9.3446000000e-03 -3.0809000000e-03  3.0080000000e-03  2.8178000000e-03  3.2419000000e-03  1.0412000000e-03  1.2930000000e-03 -4.6710000000e-03
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0347600000e-01  4.6147300000e-01 -4.5650400000e-01  2.0654100000e-01  5.5846000000e-01  7.4946400000e-01 -1.8129840000e+00  1.4968330000e+00 -1.4235230000e+00 -1.4093830000e+00  2.3034930000e+00 -1.1031530000e+00 -1.4725430000e+00  1.3947040000e+00 -2.3122870000e+00
+ENERGY -1.526588976767e+02
+FORCES -1.1554200000e-02  7.8708000000e-03 -5.4374000000e-03  9.6690000000e-03 -2.8324000000e-03  4.8731000000e-03 -1.3407000000e-03 -9.7300000000e-05 -3.3199000000e-03  4.8068000000e-03  1.4038000000e-03 -2.1638000000e-03 -3.9610000000e-04 -6.7406000000e-03  1.6630000000e-04 -1.1847000000e-03  3.9580000000e-04  5.8817000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1280300000e-01  7.3110400000e-01  5.3279800000e-01 -3.5154900000e-01 -7.7889000000e-01  4.3124900000e-01 -1.5043180000e+00 -1.8038450000e+00  1.4202800000e+00 -1.5248120000e+00 -1.5184080000e+00  2.3337010000e+00 -2.2214950000e+00 -1.3262110000e+00  1.0034420000e+00
+ENERGY -1.526579480692e+02
+FORCES -6.6218000000e-03 -9.2773000000e-03  1.0396400000e-02 -2.8690000000e-04 -2.3530000000e-03 -1.3215000000e-03  1.4944000000e-03  7.2724000000e-03 -6.3437000000e-03 -1.3054000000e-03  4.9957000000e-03  7.1700000000e-04 -2.0400000000e-05 -1.0900000000e-05 -5.5564000000e-03  6.7402000000e-03 -6.2690000000e-04  2.1082000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9521800000e-01 -3.0568800000e-01  1.4619100000e-01  3.5336700000e-01  1.3698100000e-01  8.7897600000e-01 -2.8775250000e+00  1.4774100000e-01  4.6659000000e-02 -3.3438930000e+00  8.0909100000e-01 -4.6456400000e-01 -3.1396270000e+00 -6.8607800000e-01 -3.4357200000e-01
+ENERGY -1.526584595579e+02
+FORCES -9.2687000000e-03  1.7757000000e-03  3.5745000000e-03  7.6665000000e-03 -5.0320000000e-03 -6.1030000000e-04 -1.4232000000e-03 -3.8490000000e-04 -2.8141000000e-03 -1.3801000000e-03  3.6609000000e-03 -4.8252000000e-03  3.0480000000e-04 -3.9035000000e-03  2.4725000000e-03  4.1007000000e-03  3.8839000000e-03  2.2025000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3147500000e-01  1.9210700000e-01 -1.0807600000e-01  3.6981100000e-01  1.0411800000e-01 -8.7671600000e-01  1.8453520000e+00 -1.6866710000e+00  1.4729040000e+00  1.0073110000e+00 -1.4347840000e+00  1.0849960000e+00  1.7288460000e+00 -2.6037030000e+00  1.7213220000e+00
+ENERGY -1.526605521405e+02
+FORCES -7.2240000000e-04  2.6441000000e-03 -4.0693000000e-03  4.4511000000e-03 -1.0147000000e-03 -6.0500000000e-05 -3.0256000000e-03 -4.8910000000e-04  3.9056000000e-03 -6.4717000000e-03  2.2374000000e-03 -2.7109000000e-03  6.4289000000e-03 -6.7863000000e-03  4.2885000000e-03 -6.6020000000e-04  3.4087000000e-03 -1.3534000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1500000000e-02 -9.5146400000e-01 -9.1077000000e-02  2.2899400000e-01  3.3674900000e-01 -8.6625300000e-01 -1.3954480000e+00 -1.6595460000e+00  3.1160700000e+00 -1.9031110000e+00 -2.3424940000e+00  3.5543540000e+00 -1.6500160000e+00 -1.7246440000e+00  2.1956410000e+00
+ENERGY -1.526536480053e+02
+FORCES  2.4795000000e-03 -1.8391000000e-03 -4.1661000000e-03 -1.7678000000e-03  3.7504000000e-03  6.1340000000e-04 -9.0500000000e-04 -1.4353000000e-03  3.7337000000e-03 -3.5561000000e-03 -1.9193000000e-03 -2.0676000000e-03  2.2288000000e-03  2.8690000000e-03 -1.8398000000e-03  1.5206000000e-03 -1.4257000000e-03  3.7264000000e-03
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8075100000e-01 -9.3801200000e-01  6.0783000000e-02 -1.9234000000e-02  3.0733100000e-01  9.0631600000e-01 -1.3305000000e+00 -1.5269310000e+00  2.9399150000e+00 -1.6529940000e+00 -7.7763500000e-01  2.4391310000e+00 -1.8568230000e+00 -1.5256900000e+00  3.7394240000e+00
+ENERGY -1.526554975222e+02
+FORCES  1.6221000000e-03 -3.8674000000e-03  3.9292000000e-03 -1.1980000000e-04  5.0229000000e-03 -1.0230000000e-03 -2.3881000000e-03 -5.5450000000e-04 -3.8210000000e-03 -4.9568000000e-03  2.1321000000e-03  2.8217000000e-03  3.6337000000e-03 -2.8988000000e-03  1.6502000000e-03  2.2090000000e-03  1.6580000000e-04 -3.5571000000e-03
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4031200000e-01  4.4725000000e-01  4.1004600000e-01  1.2271400000e-01 -9.2241400000e-01  2.2433500000e-01 -1.6731950000e+00  1.7896420000e+00  1.3317770000e+00 -1.1750940000e+00  1.0388800000e+00  1.0085370000e+00 -1.2704490000e+00  2.5462710000e+00  9.0570200000e-01
+ENERGY -1.526589208152e+02
+FORCES  2.3058000000e-03 -1.1741000000e-03  1.7631000000e-03 -6.7735000000e-03 -1.0767000000e-03 -8.6930000000e-04 -4.0730000000e-04  5.3919000000e-03 -5.0120000000e-04  6.8232000000e-03 -7.5073000000e-03 -9.3882000000e-03 -1.9360000000e-03  6.6787000000e-03  7.1413000000e-03 -1.2200000000e-05 -2.3125000000e-03  1.8542000000e-03
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3800400000e-01 -2.3817000000e-02  1.8924400000e-01  4.1958000000e-01 -1.5405100000e-01  8.4643500000e-01 -1.3668230000e+00  1.3754060000e+00  2.6865380000e+00 -5.4505600000e-01  1.7393280000e+00  2.3571600000e+00 -1.2031240000e+00  4.3464900000e-01  2.7529550000e+00
+ENERGY -1.526535977848e+02
+FORCES -3.6515000000e-03 -4.2560000000e-04  3.6005000000e-03  4.9914000000e-03 -1.2592000000e-03 -7.3110000000e-04 -2.2075000000e-03  1.7602000000e-03 -1.9645000000e-03  4.5856000000e-03 -7.4520000000e-04 -7.3000000000e-04 -3.5186000000e-03 -2.7492000000e-03  2.2559000000e-03 -1.9940000000e-04  3.4190000000e-03 -2.4309000000e-03
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7099400000e-01  1.2211300000e-01 -5.5397600000e-01 -3.2890000000e-02 -9.4298400000e-01  1.6103000000e-01  1.3598540000e+00 -1.5315170000e+00  2.6854360000e+00  1.5780320000e+00 -2.2852790000e+00  2.1372820000e+00  4.2135800000e-01 -1.4002370000e+00  2.5504430000e+00
+ENERGY -1.526526805051e+02
+FORCES  5.5489000000e-03 -2.6579000000e-03 -1.1288000000e-03 -3.7947000000e-03 -6.2260000000e-04  1.4406000000e-03 -8.9680000000e-04  2.8215000000e-03  9.3920000000e-04 -3.2969000000e-03 -6.4220000000e-04 -1.9901000000e-03 -1.4800000000e-03  3.7240000000e-03  1.0818000000e-03  3.9196000000e-03 -2.6228000000e-03 -3.4280000000e-04
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3515500000e-01 -7.0205100000e-01 -5.5769900000e-01  9.5039600000e-01 -1.1256700000e-01 -1.7547000000e-02  1.1491570000e+00 -1.5440010000e+00  3.0688300000e+00  4.4487100000e-01 -1.7168580000e+00  2.4440640000e+00  8.5969100000e-01 -1.9637090000e+00  3.8789450000e+00
+ENERGY -1.526560650425e+02
+FORCES  3.5846000000e-03 -1.1217000000e-03 -3.7031000000e-03  1.2882000000e-03  2.3591000000e-03  3.4612000000e-03 -4.9477000000e-03 -1.0090000000e-04 -4.3480000000e-04 -5.0071000000e-03 -1.1956000000e-03  7.1510000000e-04  4.0865000000e-03 -1.5028000000e-03  3.2878000000e-03  9.9540000000e-04  1.5618000000e-03 -3.3261000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8305800000e-01 -7.5207300000e-01  5.6312400000e-01 -9.0193800000e-01 -1.3259600000e-01 -2.9181900000e-01 -1.5465930000e+00  1.0849260000e+00  2.4977550000e+00 -7.5643300000e-01  1.3821820000e+00  2.9488830000e+00 -2.2664880000e+00  1.4829950000e+00  2.9871680000e+00
+ENERGY -1.526544480157e+02
+FORCES -6.2873000000e-03 -2.0505000000e-03  4.1022000000e-03  6.7890000000e-04  2.4310000000e-03 -2.5425000000e-03  4.0224000000e-03 -5.9750000000e-04 -1.2221000000e-03  2.5415000000e-03  3.7120000000e-03  2.9620000000e-03 -3.9173000000e-03 -1.6370000000e-03 -4.5120000000e-04  2.9618000000e-03 -1.8580000000e-03 -2.8485000000e-03
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4834300000e-01  3.6829900000e-01 -6.0020000000e-01  1.6189000000e-01  4.4603700000e-01  8.3130900000e-01  1.4305440000e+00  1.7029030000e+00 -1.7038220000e+00  2.3729570000e+00  1.8704500000e+00 -1.7081510000e+00  1.1819370000e+00  1.7063230000e+00 -2.6281670000e+00
+ENERGY -1.526604481277e+02
+FORCES  6.8327000000e-03  9.5838000000e-03 -5.1191000000e-03 -3.8368000000e-03 -7.0260000000e-03  4.9811000000e-03 -1.1680000000e-04 -1.5498000000e-03 -2.0205000000e-03 -3.1610000000e-04 -2.8100000000e-05 -2.4603000000e-03 -5.0145000000e-03 -1.0045000000e-03  2.1300000000e-05  2.4515000000e-03  2.4600000000e-05  4.5975000000e-03
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9679400000e-01  8.3833200000e-01 -4.1797600000e-01  3.6755500000e-01  7.8611000000e-02  8.8031600000e-01 -2.5684230000e+00  1.9807700000e-01  3.5719000000e-02 -3.1128990000e+00 -3.4020900000e-01 -5.3875900000e-01 -1.6707640000e+00 -6.0934000000e-02 -1.7249800000e-01
+ENERGY -1.526584334974e+02
+FORCES -1.1188600000e-02  3.9401000000e-03  4.6379000000e-03 -2.2333000000e-03 -4.7969000000e-03  2.4732000000e-03 -3.9420000000e-04  7.1460000000e-04 -5.1039000000e-03  1.8723800000e-02 -3.1399000000e-03  4.3150000000e-04  4.7344000000e-03  7.7670000000e-04  8.4040000000e-04 -9.6422000000e-03  2.5055000000e-03 -3.2791000000e-03
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5752700000e-01 -5.5039400000e-01  6.9675800000e-01  9.4732500000e-01 -1.2408500000e-01  5.8389000000e-02  2.8566160000e+00 -8.0917000000e-02  3.5851400000e-01  3.3032980000e+00 -8.4436500000e-01  7.2437400000e-01  3.1138730000e+00  6.4368900000e-01  9.2859900000e-01
+ENERGY -1.526613263566e+02
+FORCES  1.0144800000e-02 -2.3751000000e-03  2.7407000000e-03  1.6165000000e-03  1.5017000000e-03 -1.8197000000e-03 -1.0642000000e-02  4.3460000000e-04 -8.9600000000e-04  2.2602000000e-03  8.4790000000e-04  3.3036000000e-03 -2.5092000000e-03  4.1311000000e-03 -9.7420000000e-04 -8.7030000000e-04 -4.5402000000e-03 -2.3544000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3540100000e-01 -5.6385700000e-01 -6.3931400000e-01 -5.6187400000e-01 -3.6402000000e-02  7.7408300000e-01  2.8565690000e+00  4.5343000000e-02  1.4386200000e-01  3.2907910000e+00 -5.7695200000e-01 -4.3960400000e-01  1.9241690000e+00 -1.5134700000e-01  5.3447000000e-02
+ENERGY -1.526607550829e+02
+FORCES -3.1498000000e-03 -7.4740000000e-04  1.7672000000e-03  2.7528000000e-03  2.2460000000e-03  3.5663000000e-03  1.7851000000e-03 -3.1610000000e-04 -4.6280000000e-03 -9.5367000000e-03 -1.3820000000e-03 -1.7162000000e-03 -2.6512000000e-03  1.6167000000e-03  1.3924000000e-03  1.0799800000e-02 -1.4172000000e-03 -3.8170000000e-04
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3557300000e-01 -2.7702000000e-01 -3.7591200000e-01  1.3901200000e-01  9.1450100000e-01  2.4616200000e-01 -1.6984730000e+00 -1.6443200000e+00 -1.1318320000e+00 -1.3767610000e+00 -2.5225220000e+00 -9.2812700000e-01 -1.1603280000e+00 -1.0613810000e+00 -5.9628200000e-01
+ENERGY -1.526581085894e+02
+FORCES -6.0737000000e-03 -3.5772000000e-03 -5.9100000000e-03 -4.4299000000e-03  1.4420000000e-03  2.6673000000e-03  1.7732000000e-03 -4.6161000000e-03 -1.7680000000e-03  9.5202000000e-03  1.0392800000e-02  8.9404000000e-03  1.1366000000e-03  3.5341000000e-03 -3.0590000000e-04 -1.9262000000e-03 -7.1756000000e-03 -3.6238000000e-03
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7371000000e-02 -4.8836600000e-01  8.2306100000e-01 -6.7278600000e-01 -4.1517800000e-01 -5.3964700000e-01  1.6712890000e+00 -1.4508050000e+00 -1.2201500000e+00  1.2896890000e+00 -7.2503900000e-01 -7.2631100000e-01  1.2822630000e+00 -2.2351420000e+00 -8.3323000000e-01
+ENERGY -1.526519541938e+02
+FORCES  7.4959000000e-03 -1.3040800000e-02 -8.8666000000e-03  2.2067000000e-03  1.4110000000e-04 -6.7807000000e-03  4.9401000000e-03  6.2670000000e-04  3.8456000000e-03 -1.7195200000e-02  1.5593700000e-02  1.4721900000e-02  3.4607000000e-03 -5.9730000000e-03 -2.6505000000e-03 -9.0820000000e-04  2.6523000000e-03 -2.6970000000e-04
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3106100000e-01  7.3469700000e-01 -5.1657600000e-01 -4.2615200000e-01 -7.6975100000e-01 -3.7697400000e-01  2.9210690000e+00  2.5163000000e-01 -1.7608300000e-01  3.3137920000e+00  1.0710570000e+00 -4.7698100000e-01  2.0512620000e+00  5.0239700000e-01  1.3501500000e-01
+ENERGY -1.526585230791e+02
+FORCES -1.8100000000e-03 -3.7342000000e-03 -5.0427000000e-03  3.0827000000e-03 -2.7829000000e-03  2.6455000000e-03  1.0490000000e-04  4.2084000000e-03  1.5113000000e-03 -7.2250000000e-03  1.2102000000e-03  1.1119000000e-03 -2.8538000000e-03 -2.5634000000e-03  7.2020000000e-04  8.7013000000e-03  3.6619000000e-03 -9.4620000000e-04
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4813700000e-01 -7.6013400000e-01  4.6607700000e-01 -9.1725800000e-01  4.7346000000e-02  2.6949500000e-01  1.5653990000e+00  1.8572090000e+00  1.1038250000e+00  1.0064060000e+00  1.2903250000e+00  5.7241000000e-01  1.5717420000e+00  1.4459390000e+00  1.9681450000e+00
+ENERGY -1.526579738927e+02
+FORCES  2.2198000000e-03  2.9762000000e-03  5.6965000000e-03 -1.9658000000e-03  5.6261000000e-03 -8.8010000000e-04  5.5584000000e-03 -8.7110000000e-04 -3.6110000000e-04 -1.1687800000e-02 -1.3196800000e-02 -6.3776000000e-03  6.1809000000e-03  5.4918000000e-03  4.3259000000e-03 -3.0550000000e-04 -2.6100000000e-05 -2.4036000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6382000000e-01 -5.2837800000e-01 -4.4316200000e-01 -7.2180000000e-02 -2.4767700000e-01  9.2178000000e-01  1.7373210000e+00 -1.5870470000e+00 -1.5405230000e+00  1.3991670000e+00 -8.5880300000e-01 -1.0194240000e+00  2.6814240000e+00 -1.4346910000e+00 -1.5816200000e+00
+ENERGY -1.526615166772e+02
+FORCES -3.2674000000e-03 -4.9443000000e-03  1.6552000000e-03  4.8035000000e-03  2.7354000000e-03  2.5275000000e-03  3.3200000000e-05  1.0818000000e-03 -4.5248000000e-03 -3.0093000000e-03  7.6193000000e-03  5.8980000000e-03  4.7514000000e-03 -6.9914000000e-03 -6.9677000000e-03 -3.3115000000e-03  4.9920000000e-04  1.4119000000e-03
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2585000000e-01  1.6240600000e-01 -7.0581000000e-01 -1.4772000000e-01 -9.4545100000e-01 -2.3068000000e-02 -1.7308000000e-02 -2.7146040000e+00  2.3630000000e-02  4.5796500000e-01 -3.1970130000e+00 -6.5285300000e-01  2.1117000000e-02 -3.2811430000e+00  7.9420600000e-01
+ENERGY -1.526594579559e+02
+FORCES  1.6059000000e-03 -1.4869600000e-02 -1.2222000000e-03 -1.5764000000e-03 -1.1442000000e-03  1.5125000000e-03 -8.9880000000e-04  8.4933000000e-03 -8.0870000000e-04  2.3013000000e-03  4.2492000000e-03  1.4435000000e-03 -1.8560000000e-03  1.9732000000e-03  3.9228000000e-03  4.2400000000e-04  1.2981000000e-03 -4.8479000000e-03
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5392700000e-01 -4.0502000000e-01 -4.2870000000e-01  7.5976100000e-01 -3.8201000000e-01 -4.3939000000e-01  1.7723930000e+00 -1.7658530000e+00 -1.2913190000e+00  2.6883720000e+00 -2.0411920000e+00 -1.3287610000e+00  1.4576240000e+00 -1.8563970000e+00 -2.1907380000e+00
+ENERGY -1.526595447571e+02
+FORCES  6.0618000000e-03 -9.2107000000e-03 -5.3326000000e-03  1.9380000000e-03  1.4970000000e-03  4.8160000000e-04 -5.7950000000e-03  6.3742000000e-03  2.0841000000e-03  1.3340000000e-03 -4.1530000000e-04 -1.2566000000e-03 -4.7315000000e-03  7.9660000000e-04 -9.6810000000e-04  1.1927000000e-03  9.5810000000e-04  4.9916000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8645700000e-01 -1.0847400000e-01  6.5821200000e-01  2.1354500000e-01 -6.4163200000e-01 -6.7745000000e-01 -1.5136650000e+00 -1.0199500000e-01  2.1758630000e+00 -1.0387020000e+00 -7.6002200000e-01  2.6834470000e+00 -1.2304320000e+00 -2.4506600000e-01  1.2727890000e+00
+ENERGY -1.526569056352e+02
+FORCES  7.9140000000e-04 -1.7150000000e-04  5.5148000000e-03 -5.6523000000e-03 -2.1254000000e-03 -2.8586000000e-03 -1.1466000000e-03  2.6845000000e-03  5.1485000000e-03  7.2585000000e-03 -1.7585000000e-03 -1.3954700000e-02  6.3410000000e-04  2.6080000000e-03 -2.8272000000e-03 -1.8852000000e-03 -1.2372000000e-03  8.9772000000e-03
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7892600000e-01 -5.2347600000e-01 -4.2575100000e-01  7.7015000000e-01 -1.0579900000e-01 -5.5848600000e-01  1.2788790000e+00  1.7165990000e+00  2.7653470000e+00  1.3818350000e+00  2.5628550000e+00  2.3300500000e+00  3.3185800000e-01  1.5971890000e+00  2.8369360000e+00
+ENERGY -1.526547388336e+02
+FORCES  2.0083000000e-03 -3.0322000000e-03 -3.9983000000e-03  2.6962000000e-03  2.3971000000e-03  2.2025000000e-03 -3.7594000000e-03  4.2780000000e-04  1.4667000000e-03 -4.9228000000e-03  1.4046000000e-03 -3.4518000000e-03  1.9400000000e-04 -2.8813000000e-03  1.9514000000e-03  3.7837000000e-03  1.6840000000e-03  1.8296000000e-03
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1775500000e-01  7.6914300000e-01 -4.7295200000e-01  4.9626300000e-01 -3.7900000000e-04  8.1850800000e-01 -2.7159540000e+00 -2.0794600000e-01 -2.5023700000e-01 -2.9759840000e+00  7.0750600000e-01 -3.5301600000e-01 -1.7589790000e+00 -1.8741600000e-01 -2.5346400000e-01
+ENERGY -1.526596197789e+02
+FORCES -2.9094000000e-03  1.2087000000e-03  2.8802000000e-03 -2.7538000000e-03 -3.4206000000e-03  3.1757000000e-03 -9.9650000000e-04  1.2719000000e-03 -4.8832000000e-03  1.4011600000e-02  2.7668000000e-03  2.0362000000e-03  1.7202000000e-03 -2.1716000000e-03  2.4400000000e-05 -9.0722000000e-03  3.4480000000e-04 -3.2332000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2593300000e-01 -4.0696700000e-01  8.5717600000e-01 -7.5692900000e-01 -2.8248700000e-01 -5.1331400000e-01 -7.9120000000e-03  2.5588130000e+00  9.2456000000e-02  7.1972100000e-01  2.9021110000e+00 -4.2612600000e-01  1.5148300000e-01  1.6159320000e+00  1.3489400000e-01
+ENERGY -1.526579616379e+02
+FORCES -4.3244000000e-03  1.3299100000e-02 -4.2790000000e-04 -1.9010000000e-04  3.2740000000e-03 -4.9191000000e-03  4.0591000000e-03 -5.9200000000e-05  3.7861000000e-03  1.5534000000e-03 -2.2258500000e-02 -1.3886000000e-03 -1.7294000000e-03 -3.1080000000e-03  8.9490000000e-04  6.3150000000e-04  8.8527000000e-03  2.0546000000e-03
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9383200000e-01  3.1525700000e-01 -4.3205900000e-01 -7.0570100000e-01  5.1833200000e-01 -3.8671700000e-01  1.2984000000e+00 -1.5090130000e+00 -3.2176130000e+00  1.8324030000e+00 -1.4452840000e+00 -2.4257730000e+00  1.5729090000e+00 -7.6437700000e-01 -3.7527710000e+00
+ENERGY -1.526532521801e+02
+FORCES -9.1280000000e-04  3.1368000000e-03 -4.5125000000e-03 -1.9967000000e-03 -1.7913000000e-03  1.7914000000e-03  2.9646000000e-03 -1.5545000000e-03  2.2619000000e-03  3.2043000000e-03  1.8220000000e-03  1.2066000000e-03 -1.7752000000e-03  1.0354000000e-03 -3.6024000000e-03 -1.4842000000e-03 -2.6484000000e-03  2.8550000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4920000000e-01  9.2319200000e-01  4.2990000000e-02  2.4441100000e-01 -3.5460900000e-01  8.5483800000e-01  1.7873770000e+00 -1.6794490000e+00 -1.0968850000e+00  1.5546110000e+00 -1.0490190000e+00 -4.1526200000e-01  2.7438040000e+00 -1.6569710000e+00 -1.1280800000e+00
+ENERGY -1.526523705175e+02
+FORCES  6.5250000000e-04  3.8380000000e-04 -1.7820000000e-04  2.2600000000e-04 -5.7668000000e-03 -2.8580000000e-04  4.3968000000e-03  1.7880000000e-04 -8.3115000000e-03 -6.7623000000e-03  8.2786000000e-03  3.4493000000e-03  6.0510000000e-03 -5.2587000000e-03  4.0846000000e-03 -4.5640000000e-03  2.1843000000e-03  1.2417000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2156400000e-01  7.9386700000e-01 -4.2732100000e-01  9.5325400000e-01  8.2945000000e-02 -2.5670000000e-02 -1.8319900000e-01 -2.9048360000e+00  1.4691370000e+00 -1.6461000000e-02 -3.7255840000e+00  1.9326040000e+00  1.7681000000e-01 -2.2280920000e+00  2.0424100000e+00
+ENERGY -1.526535052163e+02
+FORCES  2.2142000000e-03  3.2099000000e-03 -3.3627000000e-03  1.3863000000e-03 -3.5302000000e-03  1.7534000000e-03 -4.0268000000e-03 -1.3850000000e-04  1.1988000000e-03  1.4279000000e-03  1.2704000000e-03  4.0540000000e-03 -7.2880000000e-04  3.5473000000e-03 -2.3367000000e-03 -2.7280000000e-04 -4.3589000000e-03 -1.3069000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2733800000e-01 -2.0411300000e-01 -8.3183600000e-01 -9.2373000000e-01 -2.0200500000e-01 -1.4882400000e-01  1.9570550000e+00  1.8185440000e+00  1.1387050000e+00  1.0602350000e+00  1.6267340000e+00  8.6456300000e-01  2.5046820000e+00  1.3076340000e+00  5.4262800000e-01
+ENERGY -1.526582146605e+02
+FORCES -1.2847000000e-03 -2.4053000000e-03 -3.2427000000e-03 -1.4180000000e-03  1.6829000000e-03  4.3513000000e-03  4.6592000000e-03  9.6690000000e-04  3.5980000000e-04 -6.2237000000e-03 -7.9612000000e-03 -4.5916000000e-03  4.9036000000e-03  5.8143000000e-03  2.1253000000e-03 -6.3630000000e-04  1.9024000000e-03  9.9790000000e-04
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1961300000e-01 -5.2373000000e-02  9.0074200000e-01 -3.3143800000e-01 -7.9433600000e-01 -4.1882100000e-01 -1.7450670000e+00 -1.5845770000e+00 -1.2923780000e+00 -1.5773750000e+00 -2.4618390000e+00 -1.6366510000e+00 -1.7852080000e+00 -1.0258060000e+00 -2.0685190000e+00
+ENERGY -1.526591131392e+02
+FORCES -1.1598300000e-02 -1.0504700000e-02 -3.8144000000e-03  1.0665000000e-03 -2.1900000000e-05 -2.3830000000e-03  7.6714000000e-03  4.5750000000e-03  1.8589000000e-03  7.6710000000e-04  4.8888000000e-03 -2.0109000000e-03  8.9530000000e-04  5.4915000000e-03  2.3698000000e-03  1.1980000000e-03 -4.4287000000e-03  3.9796000000e-03
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6313600000e-01  2.8967200000e-01  6.2655600000e-01  8.3221000000e-02 -9.5347400000e-01 -1.3898000000e-02 -1.3116200000e+00 -1.2826020000e+00  3.0591050000e+00 -1.8297310000e+00 -1.9864840000e+00  3.4494160000e+00 -1.6044680000e+00 -1.2456010000e+00  2.1485540000e+00
+ENERGY -1.526564485802e+02
+FORCES  5.2414000000e-03 -1.7019000000e-03  2.5989000000e-03 -2.6771000000e-03 -1.0473000000e-03 -3.6394000000e-03 -2.0968000000e-03  3.8406000000e-03  3.4220000000e-04 -4.2617000000e-03 -1.4141000000e-03 -2.0782000000e-03  2.2018000000e-03  2.7928000000e-03 -1.9756000000e-03  1.5923000000e-03 -2.4701000000e-03  4.7520000000e-03
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5467900000e-01  7.1977700000e-01 -5.2187700000e-01 -9.4578800000e-01  1.4736300000e-01  6.3800000000e-04 -1.2022960000e+00 -1.7437380000e+00 -2.9517910000e+00 -5.3809300000e-01 -2.1464980000e+00 -3.5111210000e+00 -1.1176540000e+00 -8.0467100000e-01 -3.1167810000e+00
+ENERGY -1.526529064115e+02
+FORCES -3.1021000000e-03  2.0891000000e-03 -1.9292000000e-03 -1.5838000000e-03 -3.0545000000e-03  1.3638000000e-03  4.1605000000e-03  5.2830000000e-04  5.5100000000e-05  4.4811000000e-03  1.8090000000e-03 -1.8542000000e-03 -2.9296000000e-03  1.7220000000e-03  1.8403000000e-03 -1.0260000000e-03 -3.0940000000e-03  5.2410000000e-04
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0147700000e-01  8.4025300000e-01 -3.4542400000e-01 -4.3317600000e-01 -6.5420400000e-01 -5.4827800000e-01 -1.5945910000e+00 -1.8106780000e+00 -1.4557070000e+00 -1.6497870000e+00 -2.7637230000e+00 -1.5256500000e+00 -1.6071400000e+00 -1.5024190000e+00 -2.3618260000e+00
+ENERGY -1.526601512282e+02
+FORCES -8.0377000000e-03 -6.2493000000e-03 -5.7274000000e-03  7.1770000000e-04 -2.8902000000e-03 -1.1900000000e-05  6.0303000000e-03  7.7224000000e-03  2.4876000000e-03  7.5240000000e-04 -2.5048000000e-03 -9.8080000000e-04 -4.1510000000e-04  4.8252000000e-03 -1.1127000000e-03  9.5240000000e-04 -9.0330000000e-04  5.3452000000e-03
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3320800000e-01 -5.6509000000e-02  4.6776400000e-01 -9.1331000000e-02  9.2795600000e-01 -2.1630500000e-01 -2.0495630000e+00 -1.5738820000e+00  1.4935210000e+00 -1.8347320000e+00 -2.4818660000e+00  1.2798720000e+00 -1.4162600000e+00 -1.0544860000e+00  9.9815500000e-01
+ENERGY -1.526618462784e+02
+FORCES  3.0920000000e-03  4.6515000000e-03  3.3790000000e-04 -4.3560000000e-03  3.0770000000e-04 -2.3070000000e-03  1.5100000000e-03 -4.3329000000e-03  1.2182000000e-03  6.3282000000e-03  2.3734000000e-03 -6.2402000000e-03 -1.6350000000e-04  2.8264000000e-03  8.9870000000e-04 -6.4107000000e-03 -5.8260000000e-03  6.0926000000e-03
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7173800000e-01 -6.6641900000e-01  3.8109600000e-01  2.8432300000e-01  8.1976900000e-01  4.0419100000e-01 -1.1988450000e+00  3.3741370000e+00  4.0648000000e-01 -1.9180210000e+00  3.3505200000e+00 -2.2475700000e-01 -1.3918790000e+00  2.6625860000e+00  1.0169420000e+00
+ENERGY -1.526561317103e+02
+FORCES  4.7259000000e-03  9.3550000000e-04  1.9542000000e-03 -2.4019000000e-03  2.9361000000e-03 -1.4715000000e-03 -2.3922000000e-03 -5.0283000000e-03  1.0390000000e-04 -5.7349000000e-03 -2.6005000000e-03 -1.1468000000e-03  2.7997000000e-03  8.9400000000e-04  2.9853000000e-03  3.0034000000e-03  2.8631000000e-03 -2.4252000000e-03
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2371100000e-01  5.6586400000e-01 -5.6723600000e-01  1.3460700000e-01 -8.8088600000e-01 -3.4950300000e-01  3.6450000000e-02 -2.5981070000e+00 -1.6010600000e-01  7.5563500000e-01 -2.9944570000e+00 -6.5195100000e-01  1.0615100000e-01 -2.9785760000e+00  7.1546100000e-01
+ENERGY -1.526573727014e+02
+FORCES -3.6370000000e-04 -1.6733400000e-02 -1.3231000000e-03 -6.5360000000e-04 -4.9821000000e-03  6.6410000000e-04  2.5687000000e-03  9.6250000000e-03 -2.7301000000e-03  1.1467000000e-03  7.6478000000e-03  6.2621000000e-03 -3.0939000000e-03  4.6744000000e-03  2.5934000000e-03  3.9590000000e-04 -2.3170000000e-04 -5.4665000000e-03
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0486600000e-01  5.5723600000e-01  4.8975200000e-01 -1.5688100000e-01 -8.8105300000e-01  3.3965500000e-01 -1.5828380000e+00 -2.0550290000e+00  1.6658210000e+00 -1.4165850000e+00 -2.9793540000e+00  1.8507930000e+00 -1.5324820000e+00 -1.6264670000e+00  2.5202390000e+00
+ENERGY -1.526591547794e+02
+FORCES -6.7437000000e-03 -4.9160000000e-03  4.8680000000e-03  2.6511000000e-03 -3.4410000000e-04 -1.1177000000e-03  5.3181000000e-03  4.9621000000e-03 -3.5889000000e-03 -1.0523000000e-03 -2.9039000000e-03  5.3112000000e-03 -3.1590000000e-04  4.6880000000e-03 -8.0180000000e-04  1.4270000000e-04 -1.4862000000e-03 -4.6708000000e-03
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8048700000e-01 -7.3720900000e-01  5.4229300000e-01  5.7186800000e-01  7.2163100000e-01  2.6162300000e-01  1.8097470000e+00  1.5699610000e+00  1.6473620000e+00  2.4714840000e+00  1.2566820000e+00  1.0307660000e+00  1.7777870000e+00  2.5159710000e+00  1.5049700000e+00
+ENERGY -1.526575015193e+02
+FORCES  5.7034000000e-03  4.0322000000e-03  1.0218000000e-02 -6.2500000000e-04  1.1958000000e-03 -2.9816000000e-03 -7.8320000000e-04 -2.9818000000e-03 -8.0146000000e-03  3.3348000000e-03  2.8735000000e-03 -1.3000000000e-06 -7.2615000000e-03  5.0290000000e-04  1.3603000000e-03 -3.6840000000e-04 -5.6226000000e-03 -5.8080000000e-04
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0325500000e-01 -3.9692000000e-01 -6.2830700000e-01 -8.3242000000e-02  9.4179300000e-01 -1.4942500000e-01 -1.4099010000e+00  1.1831280000e+00  2.9185080000e+00 -1.8912880000e+00  1.7989560000e+00  2.3660090000e+00 -1.8643860000e+00  1.2102410000e+00  3.7604940000e+00
+ENERGY -1.526518978207e+02
+FORCES -2.8803000000e-03  2.2753000000e-03 -1.6229000000e-03  2.3857000000e-03  1.7008000000e-03  2.5414000000e-03 -6.3100000000e-05 -3.4938000000e-03 -6.0600000000e-05 -3.8340000000e-03  2.0735000000e-03  1.1326000000e-03  2.3642000000e-03 -2.1392000000e-03  1.7183000000e-03  2.0275000000e-03 -4.1660000000e-04 -3.7087000000e-03
+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4492000000e-01  1.5187400000e-01  1.7087000000e-02 -2.8237000000e-01  1.4265200000e-01  9.0341000000e-01 -2.0056770000e+00  1.5437790000e+00 -1.2114240000e+00 -1.2460050000e+00  1.2552010000e+00 -7.0560500000e-01 -1.9751660000e+00  1.0185290000e+00 -2.0110570000e+00
+ENERGY -1.526598007716e+02
+FORCES  1.3252000000e-03  8.7400000000e-05  2.2800000000e-03 -5.2080000000e-03 -6.2250000000e-04  2.4240000000e-04  1.1735000000e-03  1.6372000000e-03 -6.4139000000e-03  1.0262500000e-02 -9.5321000000e-03  1.6248000000e-03 -6.6845000000e-03  6.2067000000e-03  9.5740000000e-04 -8.6870000000e-04  2.2232000000e-03  1.3094000000e-03
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6400900000e-01 -5.9755000000e-02 -4.0761500000e-01  7.7640000000e-02 -5.1433400000e-01  8.0353200000e-01  2.9640350000e+00 -8.7181100000e-01  4.7763100000e-01  3.7046410000e+00 -1.1456190000e+00 -6.3446000000e-02  3.0624790000e+00  7.7018000000e-02  5.5678200000e-01
+ENERGY -1.526582082518e+02
+FORCES  6.7407000000e-03 -6.0223000000e-03  2.1109000000e-03 -4.1889000000e-03  4.5747000000e-03 -2.4390000000e-04 -2.3689000000e-03  3.0045000000e-03 -1.9964000000e-03  5.7267000000e-03  1.5233000000e-03 -1.3860000000e-04 -3.6347000000e-03  1.8653000000e-03  2.2732000000e-03 -2.2749000000e-03 -4.9454000000e-03 -2.0053000000e-03
+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7795100000e-01 -6.6866900000e-01 -3.6754100000e-01  3.1408700000e-01  8.2203200000e-01 -3.7662300000e-01  2.2195300000e-01  3.2369070000e+00  1.5775140000e+00 -5.7612000000e-02  4.1354900000e+00  1.7525090000e+00 -1.4277300000e-01  2.7269360000e+00  2.3007960000e+00
+ENERGY -1.526569330733e+02
+FORCES  3.7989000000e-03  1.9847000000e-03 -2.9849000000e-03 -2.2378000000e-03  2.6227000000e-03  1.4177000000e-03 -1.3086000000e-03 -5.5443000000e-03  2.1270000000e-04 -3.0396000000e-03  1.2570000000e-03  4.5726000000e-03  1.1370000000e-03 -3.7051000000e-03 -6.0380000000e-04  1.6502000000e-03  3.3851000000e-03 -2.6143000000e-03
+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3505900000e-01 -8.9653600000e-01  1.3781000000e-02 -7.1112700000e-01  5.2758100000e-01  3.6357700000e-01 -1.9062920000e+00  1.5229450000e+00  1.3499160000e+00 -1.7729370000e+00  2.2825720000e+00  7.8298200000e-01 -2.8543600000e+00  1.4800830000e+00  1.4746680000e+00
+ENERGY -1.526593654153e+02
+FORCES -1.0365600000e-02  2.6598000000e-03  7.7286000000e-03  7.2910000000e-04  2.4085000000e-03 -1.5160000000e-04  6.8535000000e-03  2.3220000000e-04 -7.1799000000e-03 -2.0863000000e-03  5.1800000000e-04 -1.4317000000e-03  1.6200000000e-04 -6.9604000000e-03  1.6843000000e-03  4.7074000000e-03  1.1418000000e-03 -6.4970000000e-04
+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7285900000e-01 -2.0521800000e-01 -5.2612400000e-01 -6.9890000000e-02  9.5388400000e-01 -3.8115000000e-02 -1.1496300000e-01  2.7579470000e+00 -2.9476900000e-01  5.9233800000e-01  3.2700780000e+00 -6.8678900000e-01 -9.1652000000e-01  3.1843890000e+00 -5.9789400000e-01
+ENERGY -1.526605925893e+02
+FORCES  1.6088000000e-03  1.3059300000e-02 -2.8628000000e-03 -1.7739000000e-03  9.7430000000e-04  1.3525000000e-03 -4.4200000000e-04 -9.3240000000e-03  1.4295000000e-03 -6.0100000000e-05 -1.4541000000e-03 -2.2221000000e-03 -4.1332000000e-03 -1.9942000000e-03  1.2240000000e-03  4.8004000000e-03 -1.2613000000e-03  1.0789000000e-03
+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7468700000e-01 -4.1204100000e-01 -3.8251100000e-01 -2.1854900000e-01 -5.5106100000e-01  7.5153200000e-01  5.2534000000e-02  2.6593150000e+00 -1.8969000000e-01  1.5695900000e-01  1.7139500000e+00 -8.1930000000e-02  5.1041700000e-01  3.0384040000e+00  5.6055400000e-01
+ENERGY -1.526592097517e+02
+FORCES -1.7510000000e-04  4.4000000000e-03  1.7042000000e-03 -3.9039000000e-03  3.1162000000e-03  3.2338000000e-03  2.4148000000e-03  1.7107000000e-03 -4.2935000000e-03 -2.6930000000e-04 -1.5612400000e-02  3.2380000000e-03  3.1240000000e-03  8.9912000000e-03 -2.2728000000e-03 -1.1905000000e-03 -2.6057000000e-03 -1.6097000000e-03
+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1564700000e-01 -7.1935100000e-01 -5.4693100000e-01 -9.4516200000e-01  1.8775000000e-02 -1.5016000000e-01 -2.7700550000e+00  5.3259000000e-02  3.4377000000e-02 -3.0892660000e+00  9.3751500000e-01 -1.4570100000e-01 -3.3758710000e+00 -5.2069600000e-01 -4.3444500000e-01
+ENERGY -1.526603946471e+02
+FORCES -1.2547300000e-02 -2.2668000000e-03 -8.5720000000e-04 -2.0470000000e-03  1.7807000000e-03  1.3775000000e-03  1.0310200000e-02  1.7736000000e-03 -1.4276000000e-03 -6.3460000000e-04  4.8740000000e-04 -1.2760000000e-03  2.0185000000e-03 -5.2812000000e-03  1.6830000000e-04  2.9002000000e-03  3.5063000000e-03  2.0151000000e-03
+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2053000000e-01 -5.8361000000e-01 -6.3149500000e-01 -4.4215200000e-01 -1.8445900000e-01  8.2867900000e-01 -1.6907100000e+00  1.9226640000e+00 -1.4001400000e+00 -1.6612690000e+00  2.8786870000e+00 -1.3629270000e+00 -1.3171770000e+00  1.6384070000e+00 -5.6593200000e-01
+ENERGY -1.526585538651e+02
+FORCES -1.4804000000e-03 -5.8652000000e-03 -2.5067000000e-03  1.8575000000e-03  2.7730000000e-03  4.5609000000e-03  6.0750000000e-04  3.5772000000e-03 -4.8243000000e-03  6.0129000000e-03 -8.9350000000e-04  4.7746000000e-03  4.7280000000e-04 -3.6666000000e-03  8.3150000000e-04 -7.4704000000e-03  4.0751000000e-03 -2.8361000000e-03
+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1439000000e-01 -4.4762600000e-01  8.1847400000e-01 -9.5639600000e-01  3.8110000000e-02 -9.3040000000e-03  4.1732400000e-01  2.7496030000e+00 -1.4381730000e+00  5.8878000000e-02  3.3924550000e+00 -2.0501280000e+00  7.1495000000e-02  1.9103210000e+00 -1.7418840000e+00
+ENERGY -1.526550411122e+02
+FORCES -1.6272000000e-03 -8.4520000000e-04  5.6466000000e-03 -1.4783000000e-03  1.4061000000e-03 -3.2445000000e-03  4.1810000000e-03  3.5200000000e-05 -1.5852000000e-03 -1.4658000000e-03 -3.4201000000e-03 -2.5044000000e-03  1.0415000000e-03 -2.9768000000e-03  2.9276000000e-03 -6.5130000000e-04  5.8009000000e-03 -1.2401000000e-03
+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9015900000e-01  7.5440000000e-01 -4.4146200000e-01  4.1947600000e-01 -1.8071000000e-02  8.6020100000e-01 -1.4157210000e+00  1.2707400000e+00  2.6949060000e+00 -6.1576000000e-01  1.6225700000e+00  2.3043810000e+00 -2.1251230000e+00  1.7053680000e+00  2.2215350000e+00
+ENERGY -1.526530208883e+02
+FORCES  2.7241000000e-03  7.9230000000e-04  2.4640000000e-03 -2.4653000000e-03 -2.3882000000e-03  2.9963000000e-03 -7.7800000000e-04  2.2351000000e-03 -4.0148000000e-03 -1.1587000000e-03  2.4907000000e-03 -6.5425000000e-03 -9.4840000000e-04 -2.3245000000e-03  2.0073000000e-03  2.6263000000e-03 -8.0540000000e-04  3.0897000000e-03
+
+JOB 60
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7715000000e-02 -8.1745100000e-01  4.9464600000e-01  8.3872000000e-02  6.7973000000e-01  6.6870300000e-01 -1.5282220000e+00  7.3994000000e-02 -2.2981920000e+00 -2.4536690000e+00 -4.3101000000e-02 -2.0835560000e+00 -1.0867960000e+00  1.0295800000e-01 -1.4493480000e+00
+ENERGY -1.526608272202e+02
+FORCES -1.0189000000e-03 -3.8480000000e-04  5.5540000000e-04 -3.0640000000e-04  4.9690000000e-03 -1.7500000000e-03 -6.6110000000e-04 -4.3948000000e-03 -2.5757000000e-03  5.4072000000e-03  1.0620000000e-04  1.1371500000e-02  3.1643000000e-03  8.5300000000e-05  6.1180000000e-04 -6.5852000000e-03 -3.8080000000e-04 -8.2130000000e-03
+
+JOB 61
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3998100000e-01 -3.7077300000e-01  2.7053800000e-01  1.2893700000e-01  9.4722300000e-01  4.8733000000e-02 -1.5909530000e+00 -1.9115680000e+00  1.2676490000e+00 -1.2336250000e+00 -1.1404800000e+00  8.2722600000e-01 -2.5286430000e+00 -1.7335090000e+00  1.3402000000e+00
+ENERGY -1.526614667006e+02
+FORCES  2.6551000000e-03  1.1670000000e-04  2.5645000000e-03 -4.6322000000e-03  2.9075000000e-03 -1.1970000000e-03  3.0270000000e-04 -4.5932000000e-03 -2.6010000000e-04  3.1922000000e-03  8.8718000000e-03 -5.5872000000e-03 -4.5935000000e-03 -8.0251000000e-03  5.1025000000e-03  3.0757000000e-03  7.2230000000e-04 -6.2270000000e-04
+
+JOB 62
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9326500000e-01  8.7324200000e-01  3.4107000000e-01 -9.5599400000e-01 -4.3711000000e-02 -1.9892000000e-02  1.8424290000e+00 -1.6556410000e+00  1.1334520000e+00  2.5909500000e+00 -1.1788940000e+00  7.7476000000e-01  1.0828960000e+00 -1.2798690000e+00  6.8832600000e-01
+ENERGY -1.526598627634e+02
+FORCES  1.9131000000e-03  8.1300000000e-05  4.6284000000e-03 -1.6100000000e-03 -4.0784000000e-03 -2.4316000000e-03  4.9338000000e-03  9.2110000000e-04  7.4010000000e-04 -8.6358000000e-03  9.4348000000e-03 -8.2592000000e-03 -1.9549000000e-03 -4.6320000000e-04  1.5707000000e-03  5.3539000000e-03 -5.8957000000e-03  3.7516000000e-03
+
+JOB 63
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6811100000e-01 -1.0334800000e-01  6.7762700000e-01 -2.6056000000e-01  7.8876000000e-01 -4.7560300000e-01 -1.7476210000e+00 -2.5410000000e-03  2.1679510000e+00 -1.3436230000e+00  7.0828000000e-01  2.6656970000e+00 -2.6888470000e+00  1.4827100000e-01  2.2550150000e+00
+ENERGY -1.526606687361e+02
+FORCES -1.0086000000e-02  8.3730000000e-04  7.6822000000e-03  7.7365000000e-03  1.3089000000e-03 -6.1977000000e-03  5.4330000000e-04 -1.8837000000e-03  1.9682000000e-03 -2.4990000000e-04  2.5156000000e-03 -8.3100000000e-05 -2.9076000000e-03 -3.2589000000e-03 -3.6783000000e-03  4.9638000000e-03  4.8090000000e-04  3.0880000000e-04
+
+JOB 64
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4026900000e-01 -3.7429000000e-02 -1.7528400000e-01  4.0514900000e-01  1.9725000000e-02 -8.6700500000e-01  1.5662360000e+00  1.5294060000e+00  1.4782330000e+00  2.3891820000e+00  1.3665000000e+00  1.0173060000e+00  9.4366300000e-01  9.2104300000e-01  1.0800750000e+00
+ENERGY -1.526579288552e+02
+FORCES  3.6001000000e-03  7.4048000000e-03  2.7537000000e-03  5.0983000000e-03 -1.3310000000e-04 -8.8840000000e-04 -2.1199000000e-03 -1.6080000000e-04  4.6261000000e-03 -9.8020000000e-03 -1.1080200000e-02 -9.8104000000e-03 -2.9442000000e-03 -1.0500000000e-05 -2.4640000000e-04  6.1678000000e-03  3.9798000000e-03  3.5653000000e-03
+
+JOB 65
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0366500000e-01  7.0492500000e-01 -4.0698100000e-01  3.4010000000e-01 -5.3216000000e-02  8.9315800000e-01  1.7819670000e+00  2.0886600000e-01  2.3046740000e+00  2.4971920000e+00  2.1725000000e-02  1.6966740000e+00  1.7830760000e+00 -5.3130000000e-01  2.9116210000e+00
+ENERGY -1.526598817888e+02
+FORCES  6.1818000000e-03  4.4189000000e-03  8.5638000000e-03 -7.6450000000e-04 -2.7865000000e-03  4.1900000000e-04 -4.5359000000e-03 -3.0063000000e-03 -7.6729000000e-03  4.6395000000e-03 -3.2162000000e-03  4.2140000000e-04 -4.9621000000e-03  1.1665000000e-03  2.2984000000e-03 -5.5870000000e-04  3.4235000000e-03 -4.0298000000e-03
+
+JOB 66
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3580000000e-01 -5.2805900000e-01  3.0981300000e-01  7.7253200000e-01 -5.3564400000e-01  1.8030700000e-01  1.6944800000e+00 -1.8384810000e+00  1.3481390000e+00  1.2276430000e+00 -1.7719200000e+00  2.1811240000e+00  1.1842690000e+00 -2.4663670000e+00  8.3659600000e-01
+ENERGY -1.526563842668e+02
+FORCES  6.7362000000e-03 -7.8571000000e-03  6.8683000000e-03  2.5526000000e-03  6.8710000000e-04 -5.5070000000e-04 -6.5986000000e-03  1.7086000000e-03 -5.8614000000e-03 -4.9229000000e-03 -8.4200000000e-04  3.5292000000e-03  1.5551000000e-03 -9.9230000000e-04 -4.9583000000e-03  6.7770000000e-04  7.2956000000e-03  9.7290000000e-04
+
+JOB 67
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1040700000e-01 -3.5267700000e-01  5.3588500000e-01 -1.5553900000e-01 -6.7136500000e-01 -6.6431100000e-01  1.5613100000e+00 -1.4376000000e-01  2.2168870000e+00  1.3341300000e+00  6.9878900000e-01  2.6102480000e+00  2.4843190000e+00 -5.6405000000e-02  1.9788670000e+00
+ENERGY -1.526593226967e+02
+FORCES  6.1075000000e-03 -2.5926000000e-03  9.5294000000e-03 -2.9218000000e-03 -8.1300000000e-05 -1.0398700000e-02  2.4370000000e-03  1.2784000000e-03  3.6226000000e-03 -2.7567000000e-03  6.5214000000e-03 -5.7520000000e-04  2.9285000000e-03 -4.3239000000e-03 -9.9170000000e-04 -5.7945000000e-03 -8.0200000000e-04 -1.1864000000e-03
+
+JOB 68
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3466400000e-01  6.2922700000e-01 -5.7564900000e-01  6.5248600000e-01 -2.0243800000e-01  6.7045700000e-01  1.8097510000e+00  1.3570100000e-01  2.1791370000e+00  2.5516900000e+00  2.1537500000e-01  1.5796280000e+00  1.9322820000e+00 -7.1477700000e-01  2.6009250000e+00
+ENERGY -1.526573300997e+02
+FORCES  7.8606000000e-03  3.3397000000e-03  9.3671000000e-03 -2.9980000000e-04 -2.2922000000e-03  2.0331000000e-03 -2.4201000000e-03 -3.1227000000e-03 -9.2812000000e-03  3.3205000000e-03 -1.0075000000e-03  1.3760000000e-03 -6.9914000000e-03 -1.2981000000e-03  5.6980000000e-04 -1.4698000000e-03  4.3808000000e-03 -4.0648000000e-03
+
+JOB 69
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4900400000e-01 -1.2736500000e-01  5.8224000000e-01 -5.6654000000e-02 -7.2238800000e-01 -6.2544200000e-01 -1.6077140000e+00 -2.9769350000e+00  5.4526700000e-01 -1.9252130000e+00 -3.7954820000e+00  1.6394400000e-01 -6.5728200000e-01 -3.0834210000e+00  5.8491400000e-01
+ENERGY -1.526571781105e+02
+FORCES -5.9241000000e-03 -3.6409000000e-03 -4.7210000000e-04  4.4612000000e-03  2.0170000000e-03 -1.6827000000e-03  2.5606000000e-03  2.4277000000e-03  2.3173000000e-03  1.6567000000e-03 -5.7102000000e-03 -2.2920000000e-04  1.8479000000e-03  3.5327000000e-03  1.5332000000e-03 -4.6022000000e-03  1.3737000000e-03 -1.4665000000e-03
+
+JOB 70
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3202300000e-01  2.8440000000e-03  4.7324600000e-01 -5.3360000000e-02  7.5670500000e-01 -5.8376500000e-01 -1.5397070000e+00  3.4071600000e-01  2.2101930000e+00 -1.1785070000e+00 -4.5018400000e-01  2.6104960000e+00 -9.7707500000e-01  1.0478640000e+00  2.5258170000e+00
+ENERGY -1.526589475991e+02
+FORCES -1.0290200000e-02  3.4501000000e-03  8.6261000000e-03  5.9012000000e-03 -3.0246000000e-03 -6.8350000000e-03 -2.8810000000e-04 -1.6004000000e-03  3.2429000000e-03  1.0025400000e-02  3.3710000000e-04 -5.8980000000e-04 -1.9190000000e-03  3.8568000000e-03 -3.4145000000e-03 -3.4293000000e-03 -3.0190000000e-03 -1.0297000000e-03
+
+JOB 71
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4195900000e-01 -6.8549100000e-01  6.2272800000e-01  5.8760000000e-03  8.0608700000e-01  5.1616000000e-01  1.9317620000e+00 -8.9018000000e-02 -1.9506380000e+00  2.8656650000e+00 -1.9305400000e-01 -1.7683340000e+00  1.5219550000e+00 -4.5788000000e-02 -1.0866810000e+00
+ENERGY -1.526582473780e+02
+FORCES -1.3448000000e-03  5.4650000000e-04  1.8444000000e-03  1.5521000000e-03  4.6675000000e-03 -4.6319000000e-03  1.5653000000e-03 -4.8900000000e-03 -2.9295000000e-03 -7.8127000000e-03  7.3200000000e-04  8.5405000000e-03 -4.3066000000e-03  2.5590000000e-04  1.7284000000e-03  1.0346700000e-02 -1.3119000000e-03 -4.5519000000e-03
+
+JOB 72
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8596000000e-01 -9.1190600000e-01  5.3723000000e-02 -1.3319000000e-02  3.0944100000e-01  9.0570400000e-01 -3.2252700000e-01  3.4562180000e+00  1.7374600000e-01  4.3487100000e-01  3.0271060000e+00 -2.2430300000e-01 -3.4056700000e-01  3.1263530000e+00  1.0721310000e+00
+ENERGY -1.526538559980e+02
+FORCES -2.4605000000e-03 -3.4820000000e-03  3.4412000000e-03  1.1526000000e-03  3.9656000000e-03 -4.3500000000e-05  9.4730000000e-04 -4.5500000000e-05 -3.5393000000e-03  2.8767000000e-03 -4.3830000000e-03  3.1410000000e-04 -2.6514000000e-03  3.4122000000e-03  2.7625000000e-03  1.3530000000e-04  5.3280000000e-04 -2.9349000000e-03
+
+JOB 73
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+ENERGY -1.526579423267e+02
+FORCES  2.8867000000e-03  8.3240000000e-04 -3.6739000000e-03 -4.0286000000e-03  2.8680000000e-04  3.4332000000e-03 -4.2780000000e-04 -5.7899000000e-03 -1.0758000000e-03  7.7458000000e-03  6.3420000000e-03  1.0090100000e-02 -1.2939000000e-03 -6.0170000000e-04 -3.2506000000e-03 -4.8823000000e-03 -1.0696000000e-03 -5.5230000000e-03
+
+JOB 74
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+ENERGY -1.526587397183e+02
+FORCES -2.1786000000e-03  1.3670000000e-04  1.1019000000e-03  4.4522000000e-03  9.6220000000e-04 -2.8651000000e-03 -8.1370000000e-04 -5.2240000000e-03 -1.2360000000e-03  1.1496000000e-03  6.7900000000e-03  1.3174000000e-02 -1.2123000000e-03 -3.3560000000e-04 -2.6444000000e-03 -1.3972000000e-03 -2.3293000000e-03 -7.5304000000e-03
+
+JOB 75
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8599600000e-01 -3.2398700000e-01  4.3985800000e-01  1.4869800000e-01  9.4079500000e-01 -9.4998000000e-02  1.6658930000e+00 -2.0683540000e+00  1.2340110000e+00  1.2994750000e+00 -2.5673430000e+00  5.0395700000e-01  2.6108520000e+00 -2.2062280000e+00  1.1686230000e+00
+ENERGY -1.526606568242e+02
+FORCES  5.3371000000e-03 -1.3211000000e-03  4.6500000000e-03 -5.5366000000e-03  5.6989000000e-03 -6.5123000000e-03  6.2930000000e-04 -3.5470000000e-03  8.7380000000e-04  1.1911000000e-03 -5.7448000000e-03 -2.5003000000e-03  3.0006000000e-03  3.6583000000e-03  3.7125000000e-03 -4.6216000000e-03  1.2556000000e-03 -2.2380000000e-04
+
+JOB 76
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2815000000e-01 -1.8470700000e-01 -9.1107800000e-01 -9.5591800000e-01 -4.4475000000e-02  2.1774000000e-02 -1.2427120000e+00  2.7894050000e+00  7.2761800000e-01 -1.1850870000e+00  2.1340220000e+00  1.4228760000e+00 -4.7681400000e-01  2.6240060000e+00  1.7782200000e-01
+ENERGY -1.526576443409e+02
+FORCES -3.9189000000e-03 -2.1555000000e-03 -4.1581000000e-03 -1.0261000000e-03  1.5938000000e-03  3.9254000000e-03  4.8995000000e-03  3.7170000000e-04  1.0719000000e-03  6.8920000000e-03 -5.4897000000e-03  6.7150000000e-04 -2.8375000000e-03  2.1170000000e-03 -2.1885000000e-03 -4.0091000000e-03  3.5627000000e-03  6.7780000000e-04
+
+JOB 77
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7894600000e-01  3.5082300000e-01 -1.4355600000e-01  1.8556200000e-01  1.8669800000e-01  9.2029500000e-01  1.6505630000e+00  1.7767760000e+00 -1.9280120000e+00  8.7424400000e-01  1.4800350000e+00 -1.4531380000e+00  1.6147120000e+00  1.3092600000e+00 -2.7625030000e+00
+ENERGY -1.526581018169e+02
+FORCES -1.7534000000e-03 -6.5810000000e-04  6.3529000000e-03  5.9839000000e-03  1.3920000000e-04 -1.2025000000e-03 -1.7592000000e-03 -9.0000000000e-04 -4.4263000000e-03 -4.0872000000e-03 -7.0828000000e-03  2.1329000000e-03  1.6983000000e-03  6.5307000000e-03 -5.4283000000e-03 -8.2300000000e-05  1.9710000000e-03  2.5713000000e-03
+
+JOB 78
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6042700000e-01  2.1496900000e-01  5.4015900000e-01 -9.6796000000e-02  7.4960400000e-01 -5.8733000000e-01 -1.4981570000e+00  1.6059700000e-01  2.1059670000e+00 -1.0610290000e+00  9.6407000000e-01  2.3880710000e+00 -1.1319280000e+00 -2.0635000000e-02  1.2403670000e+00
+ENERGY -1.526552966645e+02
+FORCES -4.3307000000e-03  3.6818000000e-03  9.8836000000e-03 -6.1382000000e-03  6.0250000000e-04 -1.9308000000e-03  6.5960000000e-04 -3.2903000000e-03  5.0466000000e-03  1.2431600000e-02  2.5750000000e-04 -1.9294900000e-02  4.4200000000e-04 -2.0967000000e-03 -1.3175000000e-03 -3.0644000000e-03  8.4530000000e-04  7.6129000000e-03
+
+JOB 79
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5655600000e-01 -2.1948000000e-02  2.7394000000e-02  2.0647300000e-01  7.1218700000e-01 -6.0530200000e-01 -1.4909440000e+00 -9.6745000000e-01  2.8847790000e+00 -2.3024000000e+00 -1.1015180000e+00  2.3950890000e+00 -1.3493690000e+00 -2.1097000000e-02  2.8601880000e+00
+ENERGY -1.526528013517e+02
+FORCES -2.9379000000e-03  1.3605000000e-03 -2.7629000000e-03  3.2500000000e-03  1.1533000000e-03 -6.4000000000e-06 -9.4100000000e-04 -3.0308000000e-03  3.2355000000e-03 -8.3780000000e-04  3.3640000000e-03 -1.6082000000e-03  3.6817000000e-03  1.0876000000e-03  8.4550000000e-04 -2.2151000000e-03 -3.9346000000e-03  2.9660000000e-04
+
+JOB 80
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5313000000e-01  2.2469400000e-01  5.4638800000e-01 -1.6938100000e-01  4.3807000000e-01 -8.3404800000e-01  8.7479000000e-02 -2.7277100000e+00 -6.6167000000e-02  8.6199100000e-01 -2.8445180000e+00  4.8403200000e-01  8.2532000000e-02 -1.7943870000e+00 -2.7857100000e-01
+ENERGY -1.526603156014e+02
+FORCES -3.8125000000e-03 -2.0211000000e-03  1.7309000000e-03  3.9694000000e-03 -2.7940000000e-04 -3.6873000000e-03  2.2820000000e-04 -4.1125000000e-03  4.3149000000e-03  2.6204000000e-03  1.5498400000e-02  1.8091000000e-03 -2.2409000000e-03  9.6700000000e-05 -1.1896000000e-03 -7.6460000000e-04 -9.1821000000e-03 -2.9781000000e-03
+
+JOB 81
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7903100000e-01 -2.7736100000e-01 -6.1499600000e-01 -1.2372400000e-01 -7.5376100000e-01  5.7686000000e-01 -1.6666530000e+00 -3.1305280000e+00 -5.3097400000e-01 -2.2382920000e+00 -3.8006660000e+00 -1.5630700000e-01 -1.9280040000e+00 -3.0788160000e+00 -1.4503500000e+00
+ENERGY -1.526563976398e+02
+FORCES  8.9140000000e-04 -6.3990000000e-03 -1.9380000000e-04 -2.2142000000e-03  1.7564000000e-03  1.9293000000e-03  2.0845000000e-03  5.0378000000e-03 -8.5270000000e-04 -4.4027000000e-03 -2.2207000000e-03 -3.1111000000e-03  2.4395000000e-03  2.8837000000e-03 -1.5258000000e-03  1.2016000000e-03 -1.0583000000e-03  3.7541000000e-03
+
+JOB 82
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2324000000e-01 -7.3534100000e-01  3.1894400000e-01 -3.5829300000e-01  1.9140800000e-01 -8.6673000000e-01  1.2262960000e+00 -3.0916930000e+00  2.4189900000e-01  1.9520660000e+00 -3.2648720000e+00 -3.5768200000e-01  1.1400140000e+00 -3.8963990000e+00  7.5301100000e-01
+ENERGY -1.526549505307e+02
+FORCES -2.4371000000e-03 -5.2125000000e-03 -1.6056000000e-03 -3.4780000000e-04  5.2750000000e-03 -8.6890000000e-04  1.5712000000e-03 -5.2120000000e-04  3.0775000000e-03  4.5528000000e-03 -3.1563000000e-03 -1.0251000000e-03 -3.1506000000e-03 -2.1890000000e-04  2.5078000000e-03 -1.8860000000e-04  3.8339000000e-03 -2.0857000000e-03
+
+JOB 83
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7579700000e-01 -1.2079300000e-01 -7.5504800000e-01  8.8401900000e-01 -2.1782000000e-02 -3.6642600000e-01  1.6736240000e+00  2.1874000000e-02 -2.1821140000e+00  1.3371560000e+00 -7.8134700000e-01 -2.5794250000e+00  2.6254130000e+00 -7.3626000000e-02 -2.2169050000e+00
+ENERGY -1.526570644569e+02
+FORCES  7.6716000000e-03  1.9506000000e-03 -1.3741200000e-02 -1.2370000000e-04 -1.3478000000e-03  2.1757000000e-03 -1.8669000000e-03 -1.9620000000e-03  7.2059000000e-03 -1.1452000000e-03 -3.0241000000e-03 -4.9880000000e-04  8.4630000000e-04  4.4420000000e-03  3.1153000000e-03 -5.3821000000e-03 -5.8600000000e-05  1.7431000000e-03
+
+JOB 84
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2978600000e-01 -1.3223600000e-01 -4.5847600000e-01  3.5976000000e-02 -6.0521100000e-01  7.4071400000e-01  1.6284600000e-01  1.7795550000e+00  2.0696490000e+00 -8.0015000000e-02  2.7051560000e+00  2.0470150000e+00 -9.2455000000e-02  1.4433800000e+00  1.2105570000e+00
+ENERGY -1.526609895131e+02
+FORCES  5.3451000000e-03 -1.3895000000e-03  4.2587000000e-03 -3.9617000000e-03  2.0600000000e-05  2.2726000000e-03 -2.2320000000e-04  4.5415000000e-03 -4.1341000000e-03 -1.6829000000e-03 -4.5081000000e-03 -1.0037800000e-02  6.8350000000e-04 -3.4270000000e-03 -2.0545000000e-03 -1.6090000000e-04  4.7626000000e-03  9.6951000000e-03
+
+JOB 85
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5948700000e-01 -1.1070700000e-01 -8.3237500000e-01  1.6855800000e-01 -8.1252900000e-01  4.7709200000e-01  2.0155840000e+00  1.5392980000e+00  1.2291500000e+00  1.3609190000e+00  1.0803210000e+00  7.0285600000e-01  1.7992110000e+00  2.4660610000e+00  1.1265560000e+00
+ENERGY -1.526603457940e+02
+FORCES  9.6120000000e-04 -4.8731000000e-03  2.4410000000e-04 -3.9750000000e-04  2.6980000000e-03  6.5239000000e-03  1.1550000000e-04  5.1256000000e-03 -3.1209000000e-03 -1.1295500000e-02 -3.5262000000e-03 -4.9090000000e-03  1.0326300000e-02  3.6476000000e-03  1.7324000000e-03  2.8990000000e-04 -3.0719000000e-03 -4.7050000000e-04
+
+JOB 86
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0813000000e-01 -2.3987300000e-01 -1.8437300000e-01  4.1641900000e-01 -8.2083700000e-01  2.6278200000e-01 -2.7746900000e+00 -3.2459800000e-01 -2.0626000000e-02 -2.9239430000e+00 -1.1652430000e+00  4.1212300000e-01 -3.4499500000e+00 -2.7992900000e-01 -6.9757500000e-01
+ENERGY -1.526594759790e+02
+FORCES -1.0948900000e-02 -2.2509000000e-03 -4.9300000000e-04  1.0402500000e-02 -1.6918000000e-03  7.7640000000e-04 -2.9375000000e-03  1.9644000000e-03 -5.0880000000e-04 -1.8751000000e-03 -1.0198000000e-03 -4.4340000000e-04  2.3550000000e-03  3.9909000000e-03 -3.3868000000e-03  3.0039000000e-03 -9.9280000000e-04  4.0556000000e-03
+
+JOB 87
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6784000000e-02  4.5541300000e-01  8.3926800000e-01  9.9549000000e-02 -9.2603500000e-01  2.2086500000e-01 -1.0061650000e+00 -1.0701060000e+00 -2.6921680000e+00 -1.3378690000e+00 -7.3443800000e-01 -1.8593830000e+00 -1.6198180000e+00 -1.7642490000e+00 -2.9326440000e+00
+ENERGY -1.526573248969e+02
+FORCES  3.4305000000e-03 -1.3410000000e-03  4.7366000000e-03  2.7800000000e-05 -2.4341000000e-03 -3.6897000000e-03 -2.4265000000e-03  4.5514000000e-03 -6.0350000000e-04 -2.8867000000e-03  1.7999000000e-03  3.4419000000e-03 -8.4460000000e-04 -5.1300000000e-03 -5.7140000000e-03  2.6996000000e-03  2.5539000000e-03  1.8286000000e-03
+
+JOB 88
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+ENERGY -1.526608683560e+02
+FORCES  7.2850000000e-04 -1.0184000000e-03 -7.9810000000e-04  1.0885000000e-03 -2.0167000000e-03  5.1088000000e-03  4.3590000000e-04  4.6771000000e-03 -1.5012000000e-03 -6.1716000000e-03 -9.4126000000e-03 -4.5640000000e-03  6.9387000000e-03  7.4763000000e-03  2.1403000000e-03 -3.0200000000e-03  2.9430000000e-04 -3.8580000000e-04
+
+JOB 89
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+ENERGY -1.526609001403e+02
+FORCES -5.4130000000e-03 -1.0540000000e-03  1.5147000000e-03  4.7213000000e-03 -2.3148000000e-03 -2.3046000000e-03  7.9860000000e-04  5.2994000000e-03  2.9580000000e-04 -2.9466000000e-03 -6.1508000000e-03 -6.7546000000e-03  6.2181000000e-03  5.2006000000e-03  7.5918000000e-03 -3.3784000000e-03 -9.8040000000e-04 -3.4310000000e-04
+
+JOB 90
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+ENERGY -1.526606527729e+02
+FORCES  2.8284000000e-03  1.2134000000e-02 -2.1848000000e-03 -1.4752000000e-03  2.1543000000e-03  1.4255000000e-03  7.4000000000e-06 -1.0075300000e-02  1.0334000000e-03 -2.5772000000e-03 -1.2409000000e-03 -2.8586000000e-03 -3.8037000000e-03 -2.3848000000e-03  1.7087000000e-03  5.0202000000e-03 -5.8720000000e-04  8.7570000000e-04
+
+JOB 91
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+ENERGY -1.526591510005e+02
+FORCES  3.6694000000e-03 -5.1370000000e-04 -2.6484000000e-03 -3.8738000000e-03  3.2620000000e-04 -4.0603000000e-03 -5.3740000000e-04  6.8996000000e-03  2.0496000000e-03 -4.4448000000e-03 -7.8012000000e-03  1.3194500000e-02  2.6816000000e-03 -1.0855000000e-03  1.6240000000e-03  2.5051000000e-03  2.1747000000e-03 -1.0159400000e-02
+
+JOB 92
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+ENERGY -1.526591666704e+02
+FORCES -1.2896000000e-03 -3.0212000000e-03 -7.7922000000e-03  1.6975000000e-03 -2.2594000000e-03  1.0106000000e-03  1.2457000000e-03  6.6983000000e-03  5.8287000000e-03 -2.6560000000e-04 -4.8568000000e-03 -2.9706000000e-03 -2.0616000000e-03 -9.6390000000e-04  4.5248000000e-03  6.7360000000e-04  4.4030000000e-03 -6.0140000000e-04
+
+JOB 93
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+ENERGY -1.526579025407e+02
+FORCES -7.4401000000e-03 -8.0497000000e-03 -2.3965000000e-03  5.7286000000e-03  5.2837000000e-03  2.3843000000e-03  2.4990000000e-04  1.4535000000e-03 -1.5508000000e-03  5.0332000000e-03 -4.0864000000e-03 -6.2200000000e-04 -5.2010000000e-04  4.3083000000e-03 -2.1132000000e-03 -3.0515000000e-03  1.0907000000e-03  4.2982000000e-03
+
+JOB 94
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+ENERGY -1.526525482389e+02
+FORCES -1.9970000000e-03  3.8026000000e-03 -5.7500000000e-05 -5.5850000000e-04 -2.4870000000e-03 -3.1896000000e-03  2.5140000000e-03 -1.5244000000e-03  2.5950000000e-03  4.3225000000e-03 -5.0400000000e-05 -1.5210000000e-03 -2.0071000000e-03  3.1614000000e-03  1.2854000000e-03 -2.2739000000e-03 -2.9022000000e-03  8.8760000000e-04
+
+JOB 95
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+ENERGY -1.526598515736e+02
+FORCES -4.6019000000e-03 -3.8127000000e-03  6.3680000000e-04  3.7679000000e-03 -8.0080000000e-04 -4.0700000000e-03 -1.2840000000e-04 -3.3418000000e-03  4.1322000000e-03  2.3337000000e-03  1.5506200000e-02 -1.8329000000e-03 -1.6660000000e-03 -1.0590300000e-02 -7.7440000000e-04  2.9460000000e-04  3.0394000000e-03  1.9082000000e-03
+
+JOB 96
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+ENERGY -1.526524877076e+02
+FORCES  4.3392000000e-03 -2.8010000000e-04  2.3045000000e-03  4.4580000000e-04  1.2473000000e-03 -3.5552000000e-03 -3.3900000000e-03 -1.3514000000e-03  1.4519000000e-03  3.8102000000e-03 -1.7864000000e-03 -9.0640000000e-04 -3.6817000000e-03 -1.1085000000e-03  2.2586000000e-03 -1.5235000000e-03  3.2792000000e-03 -1.5534000000e-03
+
+JOB 97
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0863900000e-01 -8.3233000000e-02 -5.0537900000e-01 -8.9475000000e-02 -6.4281300000e-01  7.0357500000e-01  3.5661400000e-01 -1.5329510000e+00  2.0647370000e+00 -2.2547700000e-01 -1.1200540000e+00  2.7026380000e+00  2.2336900000e-01 -2.4723710000e+00  2.1911010000e+00
+ENERGY -1.526571381334e+02
+FORCES  2.7757000000e-03 -1.2138900000e-02  1.2707800000e-02  2.0626000000e-03 -1.7733000000e-03  3.6603000000e-03 -5.1615000000e-03  7.8258000000e-03 -4.6206000000e-03 -1.2232000000e-03  3.0097000000e-03 -5.0520000000e-03  1.7917000000e-03 -2.5062000000e-03 -6.5729000000e-03 -2.4530000000e-04  5.5829000000e-03 -1.2270000000e-04
+
+JOB 98
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1218800000e-01  4.6258000000e-02 -6.3787200000e-01  1.5958700000e-01 -8.1301200000e-01  4.7934900000e-01 -4.4644700000e-01 -1.9319270000e+00  2.0440010000e+00 -1.1748980000e+00 -1.6711620000e+00  2.6075540000e+00 -2.8102800000e-01 -2.8464050000e+00  2.2733440000e+00
+ENERGY -1.526604850980e+02
+FORCES  8.6320000000e-04 -6.2241000000e-03  4.6376000000e-03 -2.0705000000e-03 -1.4926000000e-03  2.7498000000e-03  2.4923000000e-03  6.0438000000e-03 -7.4633000000e-03 -3.7529000000e-03  6.1070000000e-04  2.3086000000e-03  3.4163000000e-03 -3.1191000000e-03 -1.3786000000e-03 -9.4830000000e-04  4.1813000000e-03 -8.5410000000e-04
+
+JOB 99
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2487000000e-01 -4.6348400000e-01 -4.1949700000e-01 -8.0358000000e-02 -4.0966500000e-01  8.6136500000e-01 -1.3354800000e-01 -1.6303260000e+00  2.1063610000e+00 -7.7076600000e-01 -1.8138250000e+00  2.7966610000e+00 -2.6842800000e-01 -2.3269440000e+00  1.4638960000e+00
+ENERGY -1.526582701950e+02
+FORCES  1.6525000000e-03 -8.0885000000e-03  1.4061800000e-02 -2.9851000000e-03 -4.7280000000e-04  1.6073000000e-03  1.9320000000e-04  1.3685000000e-03 -9.0899000000e-03 -3.1440000000e-03  1.8713000000e-03 -4.9209000000e-03  3.0529000000e-03 -3.2070000000e-04 -4.2513000000e-03  1.2306000000e-03  5.6422000000e-03  2.5930000000e-03
+
+JOB 100
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3043300000e-01 -4.2370000000e-03 -4.7602100000e-01  1.0161500000e-01  6.9180800000e-01  6.5368800000e-01 -1.7140450000e+00  9.7372000000e-02 -2.1956130000e+00 -1.3382350000e+00  8.6014600000e-01 -2.6351300000e+00 -1.1836530000e+00 -1.0174000000e-02 -1.4060880000e+00
+ENERGY -1.526599295680e+02
+FORCES  7.0350000000e-04  3.0577000000e-03 -3.8250000000e-04 -5.6899000000e-03  1.3501000000e-03  1.4383000000e-03  9.7480000000e-04 -3.3694000000e-03 -3.7334000000e-03  7.9093000000e-03  2.0184000000e-03  1.0651100000e-02 -2.5720000000e-04 -2.2416000000e-03  1.4322000000e-03 -3.6405000000e-03 -8.1520000000e-04 -9.4058000000e-03
+
+JOB 101
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9249000000e-02 -9.5359500000e-01 -2.4670000000e-02 -8.3082600000e-01  3.1905600000e-01 -3.5236700000e-01 -2.2027200000e-01 -2.6220580000e+00 -2.0376100000e-01  4.1057100000e-01 -3.0326740000e+00 -7.9508500000e-01 -1.7805400000e-01 -3.1479370000e+00  5.9492600000e-01
+ENERGY -1.526600655081e+02
+FORCES -3.5902000000e-03 -1.8175900000e-02 -2.1274000000e-03  1.1835000000e-03  9.1557000000e-03  1.1785000000e-03  1.9459000000e-03 -1.7687000000e-03  7.4560000000e-04  3.2321000000e-03  6.8317000000e-03  9.0890000000e-04 -3.3655000000e-03  1.3876000000e-03  4.1505000000e-03  5.9420000000e-04  2.5695000000e-03 -4.8561000000e-03
+
+JOB 102
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4654700000e-01  4.7355900000e-01 -7.9447400000e-01  6.7378100000e-01  2.3466400000e-01  6.3811000000e-01 -1.8374740000e+00  1.3503370000e+00  1.4824890000e+00 -1.3600540000e+00  9.0211500000e-01  7.8435000000e-01 -1.2008120000e+00  1.4356240000e+00  2.1921510000e+00
+ENERGY -1.526573635923e+02
+FORCES  1.5177000000e-03  4.1033000000e-03  2.6810000000e-03 -2.3078000000e-03 -1.5834000000e-03  5.4137000000e-03 -5.3968000000e-03  3.7540000000e-04 -2.4385000000e-03  1.1734200000e-02 -9.3506000000e-03 -7.7370000000e-03 -5.0365000000e-03  6.8064000000e-03  4.3612000000e-03 -5.1070000000e-04 -3.5100000000e-04 -2.2805000000e-03
+
+JOB 103
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2214800000e-01 -9.1675000000e-02  4.8156100000e-01 -2.2836000000e-02 -7.0252200000e-01 -6.4974900000e-01 -1.2875170000e+00 -3.2212930000e+00  8.1863800000e-01 -1.7577410000e+00 -2.4755130000e+00  4.4589900000e-01 -1.6486570000e+00 -3.9833520000e+00  3.6578600000e-01
+ENERGY -1.526526824980e+02
+FORCES -1.7705000000e-03 -4.1477000000e-03  4.0220000000e-04  2.1823000000e-03 -4.0490000000e-04 -3.0049000000e-03 -1.2911000000e-03  3.8344000000e-03  2.1669000000e-03 -4.0343000000e-03 -1.4842000000e-03 -2.6227000000e-03  3.0157000000e-03 -1.3897000000e-03  1.1776000000e-03  1.8979000000e-03  3.5921000000e-03  1.8809000000e-03
+
+JOB 104
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5258700000e-01  5.8037000000e-02  5.8862300000e-01  2.0590600000e-01  6.0440100000e-01 -7.1311500000e-01 -1.6523210000e+00  1.8951000000e-01  2.2841710000e+00 -2.6020400000e+00  1.9016900000e-01  2.1647360000e+00 -1.2995130000e+00  7.7367000000e-02  1.4014570000e+00
+ENERGY -1.526615378687e+02
+FORCES  3.1289000000e-03  3.5406000000e-03  7.1150000000e-04 -4.8777000000e-03  1.9840000000e-04 -3.3099000000e-03  1.3680000000e-04 -2.9929000000e-03  3.3602000000e-03  2.2781000000e-03 -8.8520000000e-04 -9.8279000000e-03  3.0939000000e-03  2.2010000000e-04 -7.7150000000e-04 -3.7600000000e-03 -8.1000000000e-05  9.8375000000e-03
+
+JOB 105
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8272200000e-01 -5.7135800000e-01 -5.0021700000e-01  2.8219400000e-01 -5.3515600000e-01  7.4175900000e-01 -1.4294050000e+00 -1.6590810000e+00 -1.7327150000e+00 -1.1546760000e+00 -2.4353360000e+00 -1.2446760000e+00 -1.1060160000e+00 -1.8073870000e+00 -2.6213410000e+00
+ENERGY -1.526585333595e+02
+FORCES -6.6802000000e-03 -6.8346000000e-03 -6.9042000000e-03  5.6352000000e-03  1.7158000000e-03  9.2380000000e-03 -1.7232000000e-03 -8.4000000000e-05 -3.5937000000e-03  4.5803000000e-03 -8.5700000000e-04 -2.9475000000e-03  3.3820000000e-04  6.8895000000e-03 -3.6950000000e-04 -2.1503000000e-03 -8.2970000000e-04  4.5770000000e-03
+
+JOB 106
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5046500000e-01 -2.4325300000e-01 -6.5875200000e-01 -3.8835000000e-02  9.5580300000e-01  3.4117000000e-02 -1.7140870000e+00  1.5049420000e+00 -3.2630870000e+00 -1.9651560000e+00  2.2875470000e+00 -3.7537240000e+00 -2.1524380000e+00  1.6008570000e+00 -2.4175810000e+00
+ENERGY -1.526541459031e+02
+FORCES -1.6744000000e-03  2.6212000000e-03 -3.9215000000e-03  1.6688000000e-03  1.3656000000e-03  4.0086000000e-03 -6.1640000000e-04 -3.7825000000e-03  4.5480000000e-04 -3.4029000000e-03  4.4645000000e-03 -1.7700000000e-04  1.0241000000e-03 -3.3363000000e-03  2.2421000000e-03  3.0009000000e-03 -1.3325000000e-03 -2.6069000000e-03
+
+JOB 107
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1414200000e-01  9.9996000000e-02  6.2947200000e-01  9.3595000000e-02  7.4796100000e-01 -5.8993800000e-01 -1.6941580000e+00 -1.2333400000e-01  2.1760010000e+00 -1.3129050000e+00 -8.6572800000e-01  2.6447560000e+00 -1.3082900000e+00 -1.6812600000e-01  1.3011690000e+00
+ENERGY -1.526599363205e+02
+FORCES  8.3630000000e-04  4.5304000000e-03  3.2046000000e-03 -4.6737000000e-03 -1.1748000000e-03 -2.8241000000e-03  5.3220000000e-04 -3.5303000000e-03  3.3344000000e-03  6.6201000000e-03 -2.0095000000e-03 -1.1035500000e-02  4.3860000000e-04  2.8763000000e-03 -1.9109000000e-03 -3.7536000000e-03 -6.9200000000e-04  9.2315000000e-03
+
+JOB 108
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5840600000e-01 -2.4245500000e-01  6.5111400000e-01 -7.9137000000e-02 -7.7205300000e-01 -5.6027000000e-01  2.9180910000e+00 -3.8736800000e-01 -1.2753150000e+00  2.5652360000e+00 -1.4816100000e-01 -4.1828200000e-01  3.6245320000e+00  2.4029200000e-01 -1.4276850000e+00
+ENERGY -1.526532921632e+02
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+
+JOB 109
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9440400000e-01  4.0013000000e-01  3.5362400000e-01 -1.6233100000e-01 -9.4192700000e-01  5.1526000000e-02 -1.6254370000e+00  1.9162580000e+00  1.0704310000e+00 -1.2713010000e+00  2.6075360000e+00  5.1100900000e-01 -2.5738080000e+00  1.9770860000e+00  9.5587200000e-01
+ENERGY -1.526603292744e+02
+FORCES -7.8589000000e-03  6.2572000000e-03  6.1848000000e-03  5.3253000000e-03 -7.5750000000e-03 -6.0605000000e-03 -1.4321000000e-03  3.6914000000e-03  6.7000000000e-04  1.9640000000e-03  2.9954000000e-03 -3.3512000000e-03 -3.2038000000e-03 -3.9827000000e-03  2.8242000000e-03  5.2055000000e-03 -1.3862000000e-03 -2.6730000000e-04
+
+JOB 110
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+ENERGY -1.526573518561e+02
+FORCES -1.9839000000e-03  6.2525000000e-03 -3.1910000000e-04 -1.8631000000e-03 -6.2254000000e-03  4.4020000000e-04  2.9650000000e-03 -5.8870000000e-04 -1.4832000000e-03  3.5114000000e-03  2.4961000000e-03  4.0663000000e-03 -1.5460000000e-03 -3.7669000000e-03  1.0659000000e-03 -1.0833000000e-03  1.8324000000e-03 -3.7702000000e-03
+
+JOB 111
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+ENERGY -1.526549650555e+02
+FORCES  4.8430000000e-04 -1.3308700000e-02  1.0164100000e-02 -3.3709000000e-03  7.0940000000e-03 -1.8250000000e-03  1.8230000000e-03  8.0290000000e-04  4.8830000000e-04 -1.4298000000e-03 -8.2280000000e-04 -7.3572000000e-03  3.4235000000e-03  3.0733000000e-03 -5.1848000000e-03 -9.3010000000e-04  3.1613000000e-03  3.7146000000e-03
+
+JOB 112
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+ENERGY -1.526580463239e+02
+FORCES -1.9151000000e-03  1.7263600000e-02 -2.9811000000e-03  1.5705000000e-03  3.1200000000e-03 -1.6553000000e-03  2.0968000000e-03 -6.7185000000e-03  5.4829000000e-03  4.7080000000e-04 -1.0572000000e-02 -3.1330000000e-03  1.9419000000e-03 -1.8370000000e-04  4.9125000000e-03 -4.1648000000e-03 -2.9094000000e-03 -2.6260000000e-03
+
+JOB 113
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+ENERGY -1.526574732049e+02
+FORCES -1.6060000000e-03  1.7166400000e-02  7.8610000000e-04  1.3831000000e-03 -7.0429000000e-03 -3.5367000000e-03  4.1300000000e-04  3.7135000000e-03  1.7606000000e-03 -9.3280000000e-04 -1.0529700000e-02  2.3383000000e-03  2.0313000000e-03  7.6600000000e-05 -5.0675000000e-03 -1.2885000000e-03 -3.3838000000e-03  3.7192000000e-03
+
+JOB 114
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+ENERGY -1.526608851022e+02
+FORCES  1.6747000000e-03 -1.3607000000e-03 -5.1300000000e-03  1.8515000000e-03  3.1643000000e-03  3.6020000000e-03 -4.1548000000e-03 -6.6000000000e-04 -7.1870000000e-04  6.3599000000e-03 -3.9432000000e-03  6.4864000000e-03 -6.7375000000e-03  6.1870000000e-03 -4.6568000000e-03  1.0063000000e-03 -3.3874000000e-03  4.1700000000e-04
+
+JOB 115
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+ENERGY -1.526594765718e+02
+FORCES  9.8684000000e-03 -2.1832000000e-03 -1.2009200000e-02 -5.5807000000e-03  2.9720000000e-04  8.7054000000e-03  2.6020000000e-04  1.7222000000e-03 -3.2977000000e-03 -8.5550000000e-03  9.0240000000e-04  1.8445000000e-03  1.1042000000e-03 -4.3317000000e-03  2.6263000000e-03  2.9029000000e-03  3.5931000000e-03  2.1307000000e-03
+
+JOB 116
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+ENERGY -1.526596624046e+02
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+
+JOB 117
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+ENERGY -1.526573306715e+02
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+
+JOB 118
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+ENERGY -1.526598856400e+02
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+JOB 119
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+ENERGY -1.526590560668e+02
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+
+JOB 120
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+
+JOB 121
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+JOB 122
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+JOB 123
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+JOB 124
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+
+JOB 125
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+JOB 126
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+
+JOB 127
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+JOB 128
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+JOB 129
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+JOB 130
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+JOB 131
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+JOB 132
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+JOB 133
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+JOB 134
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+JOB 135
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+JOB 136
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+JOB 137
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+JOB 138
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+JOB 139
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+JOB 140
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+JOB 141
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+JOB 142
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+JOB 143
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+JOB 144
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+JOB 145
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+JOB 146
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+JOB 147
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+JOB 148
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+JOB 149
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+JOB 150
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+JOB 151
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+JOB 152
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+JOB 153
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+JOB 154
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+JOB 155
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+JOB 156
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+JOB 157
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+JOB 158
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+JOB 159
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+JOB 160
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+JOB 161
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+JOB 162
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+JOB 163
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+JOB 164
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+JOB 165
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+JOB 166
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+JOB 167
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+JOB 168
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+JOB 169
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+JOB 170
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+JOB 171
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+JOB 172
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+JOB 173
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+JOB 174
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+JOB 175
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+JOB 176
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+JOB 177
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+JOB 178
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+JOB 179
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+JOB 180
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+JOB 181
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+JOB 182
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+JOB 183
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+JOB 184
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+JOB 185
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+ENERGY -1.526557642503e+02
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+
+JOB 186
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4704700000e-01 -4.3243400000e-01  4.1370800000e-01 -1.1901600000e-01 -4.6609400000e-01 -8.2754000000e-01 -1.1720150000e+00  1.8202930000e+00  2.5571330000e+00 -2.2375200000e-01  1.7043370000e+00  2.4972790000e+00 -1.4966170000e+00  1.5971350000e+00  1.6847420000e+00
+ENERGY -1.526576031338e+02
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+
+JOB 187
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0912600000e-01 -2.0026000000e-01  6.1095700000e-01 -3.1078000000e-02  9.5632900000e-01 -2.6455000000e-02 -1.4419740000e+00  1.1561140000e+00 -2.8934000000e+00 -1.7593390000e+00  2.0590630000e+00 -2.8794410000e+00 -1.9252970000e+00  7.2097400000e-01 -2.1910580000e+00
+ENERGY -1.526551086882e+02
+FORCES  4.1916000000e-03  3.0610000000e-03  1.4319000000e-03 -2.8012000000e-03  1.0825000000e-03 -2.5311000000e-03 -1.0258000000e-03 -4.0181000000e-03  1.5114000000e-03 -3.6007000000e-03 -2.6960000000e-04  2.4952000000e-03  1.9899000000e-03 -3.5580000000e-03  7.0340000000e-04  1.2461000000e-03  3.7022000000e-03 -3.6108000000e-03
+
+JOB 188
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4295200000e-01  6.3844000000e-02  6.0014900000e-01  2.5876600000e-01 -6.7096500000e-01 -6.3172600000e-01  3.0502260000e+00 -1.2757700000e+00 -5.6879000000e-01  3.8967040000e+00 -1.6944840000e+00 -4.1262700000e-01  3.1760140000e+00 -3.6880700000e-01 -2.8981400000e-01
+ENERGY -1.526567385590e+02
+FORCES  4.9055000000e-03 -5.1173000000e-03 -4.5810000000e-04 -2.1263000000e-03  2.0496000000e-03 -1.9637000000e-03 -3.2209000000e-03  3.9907000000e-03  2.1613000000e-03  6.0228000000e-03  1.1566000000e-03  8.3240000000e-04 -3.5562000000e-03  2.2709000000e-03 -6.0510000000e-04 -2.0250000000e-03 -4.3505000000e-03  3.3100000000e-05
+
+JOB 189
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0842400000e-01  9.4561500000e-01  1.0143400000e-01  2.1251000000e-01 -3.1288200000e-01  8.7930400000e-01 -2.8641900000e-01  2.7429180000e+00  2.1000600000e-01 -1.0698030000e+00  3.1142210000e+00 -1.9579600000e-01 -1.8230100000e-01  3.2343860000e+00  1.0247760000e+00
+ENERGY -1.526607331349e+02
+FORCES -5.1550000000e-04  1.2991100000e-02  3.2900000000e-03  2.1270000000e-04 -1.0096100000e-02 -1.1321000000e-03 -5.7120000000e-04  1.7988000000e-03 -2.0483000000e-03 -1.9225000000e-03 -1.1628000000e-03  1.0352000000e-03  4.1272000000e-03 -1.3537000000e-03  2.9929000000e-03 -1.3307000000e-03 -2.1773000000e-03 -4.1378000000e-03
+
+JOB 190
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1504700000e-01 -8.5174200000e-01  3.0251200000e-01 -5.6617000000e-01  6.3495500000e-01  4.3876500000e-01  1.2492230000e+00  1.4541120000e+00 -2.8914530000e+00  1.9794170000e+00  1.8944660000e+00 -2.4565540000e+00  4.6891900000e-01  1.7930840000e+00 -2.4527550000e+00
+ENERGY -1.526538546607e+02
+FORCES -3.3765000000e-03 -2.7738000000e-03  3.1387000000e-03  1.3022000000e-03  3.8167000000e-03 -9.4670000000e-04  2.7232000000e-03 -1.8467000000e-03 -2.9191000000e-03 -8.3360000000e-04  1.0131000000e-03  6.1617000000e-03 -2.5210000000e-03 -1.0110000000e-03 -2.3465000000e-03  2.7057000000e-03  8.0160000000e-04 -3.0880000000e-03
+
+JOB 191
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8896100000e-01 -2.2848900000e-01  4.9149300000e-01 -6.8013100000e-01 -5.6948500000e-01  3.5963900000e-01 -3.1493120000e+00 -7.0862400000e-01 -1.7738120000e+00 -2.7441690000e+00 -1.5647950000e+00 -1.9118750000e+00 -3.0482060000e+00 -5.4364100000e-01 -8.3637400000e-01
+ENERGY -1.526522627654e+02
+FORCES  1.3888000000e-03 -2.9293000000e-03  3.7031000000e-03 -3.4778000000e-03  9.7110000000e-04 -2.4028000000e-03  1.2640000000e-03  2.2456000000e-03 -1.9266000000e-03  2.8638000000e-03 -1.8286000000e-03  2.3406000000e-03 -2.1055000000e-03  3.3000000000e-03  1.2040000000e-03  6.6600000000e-05 -1.7588000000e-03 -2.9182000000e-03
+
+JOB 192
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4821800000e-01 -5.5976800000e-01  4.2744000000e-01 -3.1470400000e-01  8.7783000000e-02 -8.9971500000e-01  1.1660400000e+00 -1.5165860000e+00 -2.6652110000e+00  1.7948670000e+00 -1.9605670000e+00 -2.0962730000e+00  1.3512030000e+00 -1.8580150000e+00 -3.5400670000e+00
+ENERGY -1.526571729778e+02
+FORCES -3.4416000000e-03 -2.3767000000e-03 -4.4845000000e-03  2.6258000000e-03  1.9628000000e-03 -1.2897000000e-03 -6.2510000000e-04  1.5667000000e-03  5.8289000000e-03  4.6660000000e-03 -3.3285000000e-03 -6.6400000000e-05 -2.3810000000e-03  7.6850000000e-04 -3.8603000000e-03 -8.4400000000e-04  1.4073000000e-03  3.8720000000e-03
+
+JOB 193
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6261800000e-01 -6.0419700000e-01  6.4783200000e-01 -2.4388100000e-01 -3.7891700000e-01 -8.4449700000e-01  1.5294330000e+00 -3.0332350000e+00  9.6263200000e-01  2.2751800000e+00 -3.0305840000e+00  3.6256000000e-01  1.7461880000e+00 -3.7023740000e+00  1.6118640000e+00
+ENERGY -1.526559728707e+02
+FORCES -1.4986000000e-03 -6.2248000000e-03  4.1280000000e-04 -5.4090000000e-04  4.4419000000e-03 -2.6966000000e-03  9.5350000000e-04  2.0447000000e-03  2.6089000000e-03  5.2604000000e-03 -2.1724000000e-03 -9.6700000000e-05 -3.1333000000e-03 -1.0330000000e-03  2.4561000000e-03 -1.0411000000e-03  2.9435000000e-03 -2.6845000000e-03
+
+JOB 194
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7257200000e-01 -6.4941900000e-01  5.2073300000e-01 -4.4246000000e-01 -4.8980000000e-03 -8.4878600000e-01 -1.3084610000e+00  1.8470030000e+00  1.3531600000e+00 -2.0505440000e+00  1.5984070000e+00  8.0202900000e-01 -5.7917600000e-01  1.3207580000e+00  1.0253760000e+00
+ENERGY -1.526552124726e+02
+FORCES -8.6291000000e-03  4.8145000000e-03  2.2093000000e-03  1.2321000000e-03  6.3305000000e-03 -2.3164000000e-03  7.2650000000e-04 -1.2740000000e-04  5.3496000000e-03  9.4120000000e-03 -1.2951800000e-02 -1.3219500000e-02  1.1073000000e-03 -2.5570000000e-04  1.1574000000e-03 -3.8489000000e-03  2.1898000000e-03  6.8196000000e-03
+
+JOB 195
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4102000000e-01 -1.6171100000e-01 -6.7545000000e-02  1.8725100000e-01 -6.0382000000e-02  9.3676200000e-01  1.9451140000e+00  1.3895350000e+00 -1.4197690000e+00  2.0451670000e+00  1.0137800000e+00 -2.2944290000e+00  1.0959210000e+00  1.0685220000e+00 -1.1163670000e+00
+ENERGY -1.526606008886e+02
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+
+JOB 196
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+ENERGY -1.526560147911e+02
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+
+JOB 197
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+ENERGY -1.526597206462e+02
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+
+JOB 198
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+ENERGY -1.526549700556e+02
+FORCES -5.8692000000e-03  2.6684000000e-03  2.4251000000e-03  4.0331000000e-03  1.6440000000e-04  1.8900000000e-05  8.7870000000e-04 -2.6866000000e-03 -2.5402000000e-03  4.0230000000e-03 -1.8614000000e-03  2.2417000000e-03 -4.2058000000e-03  6.7760000000e-04  2.0564000000e-03  1.1402000000e-03  1.0377000000e-03 -4.2020000000e-03
+
+JOB 199
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+ENERGY -1.526599497048e+02
+FORCES -4.3100000000e-04  2.5126000000e-03 -3.9450000000e-03 -3.9765000000e-03 -7.1570000000e-04  1.9601000000e-03  3.6292000000e-03 -1.9195000000e-03  5.5880000000e-04 -8.4260000000e-04  6.4377000000e-03  2.0235000000e-03  1.5036000000e-03 -9.3079000000e-03  1.8316000000e-03  1.1720000000e-04  2.9928000000e-03 -2.4290000000e-03
+
+JOB 200
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+ENERGY -1.526599385992e+02
+FORCES -4.7341000000e-03 -4.4772000000e-03 -3.4380000000e-03  3.2840000000e-04  4.1150000000e-04  5.2386000000e-03  4.3303000000e-03  4.7831000000e-03 -1.0761000000e-03  1.1601000000e-03  6.2628000000e-03 -2.3152000000e-03 -3.4449000000e-03  2.0045000000e-03 -4.3070000000e-04  2.3602000000e-03 -8.9847000000e-03  2.0214000000e-03
+
+JOB 201
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+ENERGY -1.526594516325e+02
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+
+JOB 202
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+ENERGY -1.526511376853e+02
+FORCES  2.5715000000e-03  1.3139000000e-03  3.2146000000e-03 -6.9680000000e-04 -3.8195000000e-03  2.5200000000e-05  1.2170000000e-04  2.6660000000e-03 -2.0958000000e-03  8.0160000000e-04  3.2250000000e-03  2.8587000000e-03 -3.7498000000e-03 -1.5768000000e-03 -1.6810000000e-03  9.5180000000e-04 -1.8085000000e-03 -2.3217000000e-03
+
+JOB 203
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+ENERGY -1.526545174016e+02
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+
+JOB 204
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+ENERGY -1.526565704451e+02
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+
+JOB 205
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+ENERGY -1.526602291495e+02
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+JOB 206
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+ENERGY -1.526533603098e+02
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+JOB 207
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+ENERGY -1.526597223489e+02
+FORCES -4.5090000000e-04  8.5418000000e-03 -7.3354000000e-03 -1.6139000000e-03  1.3710000000e-03 -3.7876000000e-03  4.4494000000e-03 -6.9030000000e-03  7.9588000000e-03 -1.1861000000e-03 -5.2451000000e-03 -3.4908000000e-03  3.3127000000e-03  3.3217000000e-03  2.3873000000e-03 -4.5111000000e-03 -1.0864000000e-03  4.2677000000e-03
+
+JOB 208
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7363700000e-01 -7.1976000000e-02 -5.5905000000e-01 -7.3941900000e-01 -5.2274000000e-02 -6.0560600000e-01 -1.5709450000e+00 -4.0764700000e-01 -2.1509420000e+00 -1.1247150000e+00 -1.1620880000e+00 -2.5355580000e+00 -1.4322600000e+00  2.9985500000e-01 -2.7805760000e+00
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+
+JOB 209
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1774200000e-01 -6.8220600000e-01 -5.2565900000e-01  5.1883100000e-01  3.5213000000e-02  8.0362100000e-01  1.5660420000e+00  2.0457010000e+00 -1.5437490000e+00  1.6766290000e+00  2.9938640000e+00 -1.4731220000e+00  7.7147800000e-01  1.8588550000e+00 -1.0437610000e+00
+ENERGY -1.526601903626e+02
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+
+JOB 210
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9417300000e-01  1.7872700000e-01  8.5376600000e-01  9.4078700000e-01  1.0220600000e-01  1.4389200000e-01  2.5335950000e+00  5.0761100000e-01  2.1498800000e-01  2.9940850000e+00  5.1656800000e-01  1.0540940000e+00  2.8791350000e+00  1.2655950000e+00 -2.5649300000e-01
+ENERGY -1.526577785425e+02
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+
+JOB 211
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4853300000e-01 -7.6503600000e-01  5.1882900000e-01  9.4471800000e-01  8.1877000000e-02  1.3051900000e-01 -1.8014710000e+00 -1.7393080000e+00  1.2941050000e+00 -2.5234130000e+00 -1.1921590000e+00  9.8481500000e-01 -1.5860490000e+00 -1.3868130000e+00  2.1575700000e+00
+ENERGY -1.526597407658e+02
+FORCES -3.4758000000e-03 -7.7412000000e-03  3.1767000000e-03  6.9630000000e-03  8.0664000000e-03 -1.1780000000e-03 -3.9317000000e-03 -1.7034000000e-03  1.1971000000e-03 -4.6970000000e-03  5.7330000000e-03  1.8340000000e-04  3.4145000000e-03 -3.2973000000e-03  2.4996000000e-03  1.7271000000e-03 -1.0576000000e-03 -5.8789000000e-03
+
+JOB 212
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0868700000e-01 -6.0874000000e-01  5.3563500000e-01 -3.9274500000e-01 -6.0673000000e-02 -8.7080600000e-01 -1.5709780000e+00 -1.4318400000e-01 -2.3883470000e+00 -2.3443730000e+00  1.4014100000e-01 -1.9006800000e+00 -1.4770930000e+00  5.0454300000e-01 -3.0868220000e+00
+ENERGY -1.526606788452e+02
+FORCES -5.7823000000e-03 -3.6215000000e-03 -9.2681000000e-03  4.9760000000e-04  2.4369000000e-03 -1.8854000000e-03  3.5300000000e-03  1.8059000000e-03  9.7714000000e-03 -2.5762000000e-03  4.1143000000e-03 -1.1349000000e-03  5.4088000000e-03 -1.7106000000e-03 -1.3909000000e-03 -1.0779000000e-03 -3.0250000000e-03  3.9079000000e-03
+
+JOB 213
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4052800000e-01 -1.9004900000e-01 -4.1668500000e-01  2.0808300000e-01  6.4318000000e-01  6.7768200000e-01  1.7052000000e-01  1.8561780000e+00  2.0796460000e+00 -6.4731500000e-01  1.5633250000e+00  2.4816590000e+00  8.4433000000e-01  1.6467810000e+00  2.7264570000e+00
+ENERGY -1.526610370871e+02
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+
+JOB 214
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2781100000e-01 -3.4087300000e-01  3.3877300000e-01 -1.2975100000e-01 -4.6349000000e-01 -8.2738900000e-01  2.1258000000e-02 -1.6814890000e+00 -2.0991320000e+00  7.4699500000e-01 -1.8266300000e+00 -2.7061500000e+00  7.0160000000e-02 -2.4155150000e+00 -1.4867230000e+00
+ENERGY -1.526579156517e+02
+FORCES  3.1728000000e-03 -8.9981000000e-03 -1.3906300000e-02 -2.2992000000e-03 -1.7690000000e-04 -7.1780000000e-04 -1.9445000000e-03  1.7445000000e-03  8.5476000000e-03  3.2615000000e-03  2.0988000000e-03  4.1786000000e-03 -3.3030000000e-03 -7.3910000000e-04  4.0634000000e-03  1.1124000000e-03  6.0708000000e-03 -2.1655000000e-03
+
+JOB 215
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3785200000e-01 -5.6500800000e-01 -7.3513500000e-01 -5.7327400000e-01 -2.8035300000e-01  7.1343600000e-01 -6.2551200000e-01  2.9393310000e+00  1.2266930000e+00 -5.4190000000e-02  2.2716320000e+00  1.6061680000e+00 -1.7162000000e-01  3.2201680000e+00  4.3212200000e-01
+ENERGY -1.526559300753e+02
+FORCES -4.9105000000e-03 -3.1211000000e-03 -7.1830000000e-04  8.5790000000e-04  2.3196000000e-03  3.0150000000e-03  3.6701000000e-03  1.0738000000e-03 -2.2334000000e-03  5.3805000000e-03 -4.2435000000e-03 -4.6087000000e-03 -3.0859000000e-03  2.8191000000e-03  1.1929000000e-03 -1.9121000000e-03  1.1521000000e-03  3.3524000000e-03
+
+JOB 216
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4951800000e-01  6.9906500000e-01 -4.7484000000e-01  5.1519400000e-01 -1.1779200000e-01  7.9808000000e-01 -1.2920890000e+00 -3.2200810000e+00 -8.8651400000e-01 -7.4123300000e-01 -3.3000930000e+00 -1.0780500000e-01 -1.3365690000e+00 -4.1079980000e+00 -1.2412780000e+00
+ENERGY -1.526527074362e+02
+FORCES  3.7321000000e-03  3.0491000000e-03  2.6660000000e-04 -1.8636000000e-03 -2.7528000000e-03  2.2250000000e-03 -2.3281000000e-03 -4.9610000000e-04 -3.2844000000e-03  2.6158000000e-03 -2.6997000000e-03  2.3269000000e-03 -2.3547000000e-03 -1.0362000000e-03 -2.7483000000e-03  1.9860000000e-04  3.9356000000e-03  1.2142000000e-03
+
+JOB 217
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+ENERGY -1.526536376649e+02
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+
+JOB 218
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+ENERGY -1.526588738052e+02
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+
+JOB 219
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+ENERGY -1.526533042046e+02
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+
+JOB 220
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+ENERGY -1.526522568059e+02
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+
+JOB 221
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+ENERGY -1.526608407288e+02
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+
+JOB 222
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+ENERGY -1.526589785280e+02
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+
+JOB 223
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+ENERGY -1.526597620259e+02
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+
+JOB 224
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+ENERGY -1.526516584780e+02
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+JOB 225
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+ENERGY -1.526571788137e+02
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+JOB 226
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+ENERGY -1.526592050946e+02
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+
+JOB 227
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+JOB 228
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+JOB 229
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+ENERGY -1.526606541337e+02
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+
+JOB 230
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+
+JOB 231
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+
+JOB 232
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+JOB 233
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+
+JOB 234
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+
+JOB 235
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+
+JOB 236
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+JOB 237
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+JOB 238
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+JOB 239
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+JOB 240
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+JOB 241
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+JOB 242
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+JOB 243
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+JOB 244
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+JOB 245
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+JOB 246
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+JOB 247
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+JOB 248
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+JOB 249
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+JOB 250
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+JOB 251
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+
+JOB 252
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+
+JOB 253
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+
+JOB 254
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+
+JOB 255
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+
+JOB 256
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+JOB 257
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+
+JOB 258
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+
+JOB 259
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+JOB 260
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+
+JOB 261
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+JOB 262
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+JOB 263
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+JOB 264
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+JOB 265
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+JOB 266
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+JOB 267
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+JOB 268
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+JOB 269
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+JOB 270
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+JOB 271
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+JOB 272
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+JOB 273
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+JOB 274
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+JOB 275
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+JOB 276
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+JOB 277
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+JOB 278
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+JOB 279
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+JOB 280
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+JOB 281
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+JOB 282
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+JOB 283
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+JOB 284
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+JOB 285
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+JOB 286
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+JOB 287
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+JOB 288
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+JOB 289
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+JOB 290
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+JOB 291
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+JOB 292
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+JOB 293
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+JOB 294
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+JOB 295
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+
+JOB 296
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+
+JOB 297
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+
+JOB 298
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+
+JOB 299
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+
+JOB 300
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+
+JOB 301
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+JOB 302
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+JOB 303
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+JOB 304
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+JOB 305
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+JOB 306
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+JOB 307
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+JOB 308
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+JOB 309
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+JOB 310
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+JOB 311
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+JOB 312
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+JOB 313
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+JOB 314
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+JOB 315
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+JOB 316
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+JOB 317
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+JOB 318
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+JOB 319
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+JOB 320
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+JOB 321
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+JOB 322
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+JOB 323
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+JOB 324
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+JOB 325
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+JOB 326
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+JOB 327
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+JOB 328
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+JOB 329
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+JOB 330
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+JOB 331
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+JOB 332
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+JOB 333
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+JOB 334
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+JOB 335
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+JOB 336
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+JOB 337
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+JOB 338
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+JOB 339
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+JOB 340
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+JOB 341
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+JOB 342
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+JOB 343
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+JOB 344
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+JOB 345
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+JOB 346
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+JOB 347
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+JOB 348
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+JOB 349
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+JOB 350
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+JOB 351
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+JOB 352
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+JOB 353
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+JOB 354
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+JOB 355
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+JOB 356
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+JOB 357
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+JOB 358
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+JOB 359
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+JOB 361
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+JOB 362
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+JOB 363
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+JOB 364
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+JOB 365
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+JOB 366
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+JOB 367
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+JOB 368
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+JOB 369
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+JOB 370
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+JOB 371
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+JOB 372
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+JOB 373
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+JOB 374
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+JOB 375
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+JOB 376
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+JOB 377
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+JOB 378
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+JOB 379
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+JOB 380
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+JOB 381
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+JOB 382
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+JOB 383
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+JOB 384
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+JOB 385
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+JOB 386
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+JOB 387
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+JOB 388
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+JOB 389
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+JOB 390
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+JOB 391
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+JOB 392
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+JOB 393
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+JOB 394
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+JOB 395
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+JOB 396
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+JOB 397
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+JOB 398
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+JOB 399
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+JOB 400
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+JOB 401
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+JOB 402
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+JOB 403
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+JOB 404
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+JOB 405
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+JOB 406
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+JOB 407
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+JOB 408
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+JOB 409
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+JOB 410
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+JOB 411
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+JOB 412
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+JOB 413
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+JOB 414
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+JOB 415
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+JOB 416
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+JOB 417
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+JOB 419
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+JOB 420
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+JOB 421
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+JOB 428
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+JOB 429
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+JOB 430
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+JOB 431
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+JOB 432
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+JOB 433
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+JOB 434
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+JOB 435
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+JOB 436
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+JOB 437
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+JOB 438
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+JOB 439
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+JOB 440
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+JOB 441
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+JOB 442
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+JOB 443
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+JOB 494
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+JOB 495
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+JOB 496
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+
+JOB 497
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+JOB 498
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+
+JOB 499
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+JOB 500
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+JOB 501
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+JOB 502
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+JOB 503
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+JOB 504
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+JOB 505
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+JOB 506
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+JOB 507
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+JOB 508
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+JOB 509
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+JOB 510
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+JOB 511
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+JOB 512
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+JOB 513
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+JOB 514
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+JOB 515
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+JOB 516
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+JOB 517
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+JOB 518
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+JOB 519
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+JOB 520
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+JOB 521
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+JOB 522
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+JOB 523
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+JOB 524
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+JOB 525
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+JOB 526
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+JOB 527
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+JOB 528
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+JOB 529
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+JOB 530
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+JOB 531
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+JOB 532
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+JOB 533
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+JOB 534
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+JOB 535
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+JOB 536
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+JOB 537
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+JOB 565
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+JOB 566
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+JOB 567
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+JOB 568
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+FORCES -2.4006000000e-03 -1.8381000000e-03  4.3145000000e-03  2.1000000000e-05  5.8325000000e-03 -2.9964000000e-03  2.3811000000e-03 -3.1452000000e-03 -7.0150000000e-04 -2.4663000000e-03  2.0222000000e-03 -5.9075000000e-03  3.9941000000e-03 -1.4149000000e-03  7.4510000000e-04 -1.5294000000e-03 -1.4565000000e-03  4.5458000000e-03
+
+JOB 583
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8599200000e-01 -9.1346500000e-01  4.7830000000e-03  1.6920900000e-01  2.0331800000e-01  9.1992500000e-01  2.4831370000e+00  1.7579400000e-01 -1.0685790000e+00  2.5106710000e+00 -4.4924300000e-01 -1.7930120000e+00  1.6042060000e+00  7.9599000000e-02 -7.0189100000e-01
+ENERGY -1.526596280247e+02
+FORCES  3.3888000000e-03 -1.7639000000e-03  1.7704000000e-03  2.9829000000e-03  4.8925000000e-03 -3.7710000000e-04  1.8150000000e-04 -1.9879000000e-03 -5.9905000000e-03 -1.6053100000e-02 -1.5773000000e-03  3.7643000000e-03 -1.3611000000e-03  1.0125000000e-03  2.6205000000e-03  1.0861000000e-02 -5.7600000000e-04 -1.7876000000e-03
+
+JOB 584
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0541100000e-01  5.1843600000e-01 -6.2611200000e-01  8.9448800000e-01  1.7948000000e-02 -3.4029600000e-01  2.5672970000e+00 -1.7004700000e-01 -9.9852200000e-01  2.7619200000e+00 -1.0188170000e+00 -1.3959410000e+00  3.3985520000e+00  1.1273800000e-01 -6.1736600000e-01
+ENERGY -1.526616401307e+02
+FORCES  1.1276100000e-02  1.1504000000e-03 -5.7603000000e-03  2.1319000000e-03 -1.5825000000e-03  1.2789000000e-03 -9.6278000000e-03  1.4270000000e-04  2.7339000000e-03 -7.1220000000e-04 -1.8759000000e-03  2.4010000000e-03  1.7550000000e-04  4.6488000000e-03  2.0946000000e-03 -3.2436000000e-03 -2.4835000000e-03 -2.7480000000e-03
+
+JOB 585
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2823500000e-01  8.5668600000e-01 -3.6087300000e-01  8.1501500000e-01 -5.0065000000e-01 -3.6492000000e-02  2.6846140000e+00 -1.2195500000e+00 -6.4496600000e-01  2.1774410000e+00 -1.9306790000e+00 -1.0365050000e+00  2.6781930000e+00 -1.4085730000e+00  2.9336300000e-01
+ENERGY -1.526575601210e+02
+FORCES  9.7018000000e-03  1.3528000000e-03 -4.4413000000e-03 -2.0055000000e-03 -2.3284000000e-03  1.6076000000e-03 -6.2397000000e-03 -2.1187000000e-03  4.5840000000e-03  1.6426000000e-03 -5.5884000000e-03  3.3100000000e-04  1.0095000000e-03  5.4970000000e-03  3.5467000000e-03 -4.1088000000e-03  3.1856000000e-03 -5.6280000000e-03
+
+JOB 586
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9212900000e-01  9.1988900000e-01  1.8199800000e-01 -9.6999000000e-02 -8.2280000000e-02 -9.4871100000e-01  3.1724220000e+00  1.5681010000e+00  5.1136900000e-01  2.4884130000e+00  2.1585890000e+00  1.9563700000e-01  3.4650700000e+00  1.9584230000e+00  1.3349210000e+00
+ENERGY -1.526519765522e+02
+FORCES -2.4130000000e-04  2.6270000000e-03 -2.9613000000e-03  1.1947000000e-03 -2.9602000000e-03 -8.9070000000e-04  2.1360000000e-04  6.6830000000e-04  4.0024000000e-03 -2.1496000000e-03  2.8768000000e-03  2.2811000000e-03  2.3228000000e-03 -1.6364000000e-03  1.0385000000e-03 -1.3402000000e-03 -1.5754000000e-03 -3.4700000000e-03
+
+JOB 587
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2964100000e-01 -8.3514900000e-01  1.8484100000e-01 -4.6441700000e-01  3.4522100000e-01 -7.6247700000e-01 -1.4691650000e+00  8.3793900000e-01 -2.4643210000e+00 -1.3666950000e+00  1.6978770000e+00 -2.8720450000e+00 -1.0409500000e+00  2.3271800000e-01 -3.0697730000e+00
+ENERGY -1.526614265092e+02
+FORCES -7.0941000000e-03  1.2163000000e-03 -6.0876000000e-03  1.6511000000e-03  2.2921000000e-03 -1.1183000000e-03  6.4708000000e-03 -4.1929000000e-03  7.1821000000e-03  9.6820000000e-04  2.3078000000e-03 -5.5118000000e-03 -2.8790000000e-04 -4.6636000000e-03  1.3044000000e-03 -1.7081000000e-03  3.0404000000e-03  4.2312000000e-03
+
+JOB 588
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8874400000e-01 -4.2463200000e-01  5.1142000000e-01  1.9848000000e-02 -4.8489800000e-01 -8.2505300000e-01 -1.8623610000e+00  2.6537210000e+00  7.0513300000e-01 -1.3983800000e+00  1.8948590000e+00  1.0588010000e+00 -1.3612980000e+00  3.4077020000e+00  1.0160680000e+00
+ENERGY -1.526553583458e+02
+FORCES -2.5428000000e-03 -4.2960000000e-03 -4.2975000000e-03  2.6807000000e-03  4.2947000000e-03 -9.9220000000e-04  3.8430000000e-04  1.2526000000e-03  3.8500000000e-03  6.5545000000e-03 -1.1390000000e-03  9.1560000000e-04 -4.8233000000e-03  2.4320000000e-03  1.6009000000e-03 -2.2533000000e-03 -2.5442000000e-03 -1.0767000000e-03
+
+JOB 589
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5069800000e-01 -2.7747700000e-01  3.3992900000e-01  5.6972700000e-01  2.3067000000e-02  7.6883800000e-01 -5.8589500000e-01 -3.2047630000e+00 -7.9089200000e-01 -1.2990750000e+00 -2.7346020000e+00 -1.2228110000e+00  1.9779400000e-01 -2.9537530000e+00 -1.2798270000e+00
+ENERGY -1.526556619006e+02
+FORCES -1.2047000000e-03 -3.0553000000e-03  5.7332000000e-03  2.5742000000e-03  2.3849000000e-03 -2.1326000000e-03 -2.0409000000e-03  4.5560000000e-04 -3.1778000000e-03  2.0205000000e-03  5.3531000000e-03 -4.2676000000e-03  1.6786000000e-03 -2.0287000000e-03  2.4952000000e-03 -3.0277000000e-03 -3.1095000000e-03  1.3497000000e-03
+
+JOB 590
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9793500000e-01  4.8471600000e-01  8.0131400000e-01  5.8377000000e-01  5.7753700000e-01 -4.9182800000e-01 -2.3066360000e+00 -1.9197920000e+00  1.9179820000e+00 -2.7126170000e+00 -1.0949560000e+00  1.6514180000e+00 -2.3279110000e+00 -1.8995670000e+00  2.8747320000e+00
+ENERGY -1.526529866427e+02
+FORCES  2.1985000000e-03  3.6692000000e-03  1.7574000000e-03  8.0200000000e-05 -1.0968000000e-03 -3.6235000000e-03 -2.5174000000e-03 -2.6828000000e-03  2.1279000000e-03 -2.0214000000e-03  2.8079000000e-03  1.6246000000e-03  1.7682000000e-03 -2.9671000000e-03  2.1923000000e-03  4.9190000000e-04  2.6950000000e-04 -4.0786000000e-03
+
+JOB 591
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3682000000e-02 -5.8775300000e-01  7.5512700000e-01 -6.0505600000e-01 -3.9297400000e-01 -6.2905500000e-01  2.1439410000e+00  2.6311600000e-01 -1.7721330000e+00  1.3547900000e+00  3.4246000000e-01 -1.2362440000e+00  1.8250990000e+00  2.8981200000e-01 -2.6742740000e+00
+ENERGY -1.526590165006e+02
+FORCES  2.0778000000e-03 -5.2108000000e-03  1.0293000000e-03 -1.9059000000e-03  2.5028000000e-03 -3.7456000000e-03  5.0487000000e-03  2.6637000000e-03  1.6387000000e-03 -8.6959000000e-03  4.3700000000e-05  6.9132000000e-03  4.3761000000e-03  7.2660000000e-04 -9.6252000000e-03 -9.0100000000e-04 -7.2590000000e-04  3.7896000000e-03
+
+JOB 592
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9001600000e-01  7.0047000000e-02  9.3553200000e-01 -2.5429400000e-01 -9.1423700000e-01 -1.2544400000e-01  1.5315890000e+00  4.6540600000e-01  2.2700700000e+00  1.5778150000e+00  2.9756700000e-01  3.2113060000e+00  2.3270400000e+00  6.7729000000e-02  1.9160330000e+00
+ENERGY -1.526602976732e+02
+FORCES  3.3472000000e-03  1.4980000000e-04  9.7891000000e-03 -4.7871000000e-03 -2.7291000000e-03 -8.2186000000e-03  1.7894000000e-03  2.7595000000e-03  1.3627000000e-03  3.5655000000e-03 -1.4023000000e-03 -1.3766000000e-03  1.5550000000e-04  2.2600000000e-05 -4.9799000000e-03 -4.0705000000e-03  1.1994000000e-03  3.4234000000e-03
+
+JOB 593
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0615200000e-01 -2.6386300000e-01  1.5967600000e-01 -6.5385000000e-02  8.7606000000e-01  3.8009900000e-01 -3.2419700000e-01  2.3608450000e+00  1.2589380000e+00  1.8272600000e-01  3.0256700000e+00  7.9281700000e-01 -1.1221360000e+00  2.2598790000e+00  7.3996800000e-01
+ENERGY -1.526561395557e+02
+FORCES  2.6841000000e-03  1.3292700000e-02  1.0830700000e-02 -2.1902000000e-03  1.4719000000e-03 -6.5450000000e-04 -6.4332000000e-03 -3.3378000000e-03 -8.4585000000e-03 -1.2151000000e-03 -7.7740000000e-04 -4.2001000000e-03 -2.3215000000e-03 -5.5863000000e-03  1.7707000000e-03  9.4759000000e-03 -5.0632000000e-03  7.1170000000e-04
+
+JOB 594
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1332000000e-01 -2.8648200000e-01  2.6650000000e-03  1.5175000000e-02  7.5889800000e-01  5.8316000000e-01 -1.9760170000e+00  1.9365890000e+00 -1.3200260000e+00 -1.8788380000e+00  2.2873030000e+00 -4.3470800000e-01 -2.9092670000e+00  2.0267400000e+00 -1.5127710000e+00
+ENERGY -1.526518630493e+02
+FORCES -6.1482000000e-03  3.8608000000e-03 -1.5048000000e-03  3.9796000000e-03 -4.7780000000e-04  2.5319000000e-03 -6.1960000000e-04 -2.0310000000e-03 -1.6306000000e-03 -1.9048000000e-03  3.0337000000e-03  2.1277000000e-03  1.1530000000e-04 -2.8391000000e-03 -2.6260000000e-03  4.5777000000e-03 -1.5466000000e-03  1.1018000000e-03
+
+JOB 595
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9653100000e-01 -2.4620700000e-01 -8.3569000000e-01 -3.6128500000e-01 -8.1687700000e-01  3.4411800000e-01  2.2242780000e+00  9.2325800000e-01  1.2070310000e+00  1.6887280000e+00  3.8832700000e-01  6.2114200000e-01  1.6542040000e+00  1.1051510000e+00  1.9541330000e+00
+ENERGY -1.526555666626e+02
+FORCES  2.5209000000e-03 -6.0430000000e-04  1.0332000000e-03  1.6124000000e-03  1.6261000000e-03  7.8761000000e-03  3.0036000000e-03  4.7968000000e-03 -1.3337000000e-03 -1.8017500000e-02 -4.2692000000e-03 -4.2438000000e-03  7.9969000000e-03 -1.3461000000e-03 -3.2856000000e-03  2.8837000000e-03 -2.0320000000e-04 -4.6200000000e-05
+
+JOB 596
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8136000000e-01  2.5401000000e-01 -9.0488600000e-01  5.5477700000e-01 -7.6544000000e-01  1.5018500000e-01  1.7617380000e+00 -2.0891130000e+00  6.2013900000e-01  1.5092980000e+00 -2.5284620000e+00 -1.9194400000e-01  2.1004690000e+00 -2.7901300000e+00  1.1769760000e+00
+ENERGY -1.526573284824e+02
+FORCES  7.6807000000e-03 -5.3578000000e-03  2.6029000000e-03 -2.2100000000e-05 -2.5503000000e-03  2.8049000000e-03 -5.0955000000e-03  2.0746000000e-03 -7.8053000000e-03 -8.2160000000e-04 -2.2404000000e-03  2.2722000000e-03 -8.7810000000e-04  5.8550000000e-03  4.3114000000e-03 -8.6340000000e-04  2.2190000000e-03 -4.1862000000e-03
+
+JOB 597
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5325200000e-01  2.6399600000e-01 -9.0722200000e-01  8.5169800000e-01 -4.3649800000e-01 -1.7683000000e-02  1.7866760000e+00 -2.1189230000e+00  5.3652500000e-01  1.3807540000e+00 -2.2839730000e+00  1.3875340000e+00  2.5595240000e+00 -1.5911790000e+00  7.3758600000e-01
+ENERGY -1.526579856497e+02
+FORCES  6.1269000000e-03 -8.4059000000e-03 -1.9849000000e-03  1.5538000000e-03 -1.5042000000e-03  2.9444000000e-03 -2.0530000000e-03  9.4799000000e-03  1.9430000000e-04 -2.2938000000e-03 -1.0331000000e-03  5.9020000000e-03  3.4028000000e-03  9.2200000000e-04 -4.1987000000e-03 -6.7368000000e-03  5.4140000000e-04 -2.8570000000e-03
+
+JOB 598
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4515700000e-01 -9.0964600000e-01  2.6020200000e-01 -5.6715100000e-01 -5.7914000000e-02 -7.6890700000e-01 -2.3808500000e+00  5.5938600000e-01 -1.4827000000e+00 -2.4988100000e+00  1.5030790000e+00 -1.5911480000e+00 -2.7343040000e+00  1.7935600000e-01 -2.2869880000e+00
+ENERGY -1.526595286946e+02
+FORCES -8.1505000000e-03 -1.1467000000e-03 -4.4565000000e-03 -1.0816000000e-03  2.7136000000e-03 -1.5701000000e-03  8.8122000000e-03 -2.5506000000e-03  3.3907000000e-03 -2.0958000000e-03  4.4591000000e-03 -8.4360000000e-04 -1.4680000000e-04 -4.9608000000e-03 -6.2800000000e-04  2.6625000000e-03  1.4853000000e-03  4.1075000000e-03
+
+JOB 599
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7123700000e-01  7.2962000000e-01  5.9545400000e-01 -3.9502600000e-01  2.6923200000e-01 -8.2927700000e-01  8.7277500000e-01 -2.4101020000e+00 -4.6003200000e-01  5.7211600000e-01 -1.5042950000e+00 -3.8688900000e-01  1.5494000000e+00 -2.3844850000e+00 -1.1366080000e+00
+ENERGY -1.526563639747e+02
+FORCES  3.3354000000e-03 -8.6691000000e-03  1.6584000000e-03 -5.7300000000e-04 -1.9148000000e-03 -5.0161000000e-03  3.6660000000e-03 -2.8458000000e-03  4.4183000000e-03 -3.2569000000e-03  1.5446900000e-02  4.7675000000e-03 -3.3010000000e-04 -3.9716000000e-03 -7.3975000000e-03 -2.8413000000e-03  1.9543000000e-03  1.5695000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2625800000e-01 -5.2050000000e-01  6.0693000000e-01 -6.1224600000e-01 -6.2688300000e-01 -3.8523200000e-01  1.6704610000e+00  1.5079980000e+00  1.8169620000e+00  2.2013230000e+00  7.4715100000e-01  1.5813170000e+00  1.0658070000e+00  1.1816380000e+00  2.4833810000e+00
+ENERGY -1.526494429324e+02
+FORCES  1.3934000000e-03 -2.8734000000e-03  1.8201000000e-03 -6.3620000000e-04  1.5602000000e-03 -1.2460000000e-03  2.8740000000e-03  3.8038000000e-03  2.3884000000e-03 -3.1786000000e-03 -3.7252000000e-03 -1.3610000000e-03 -3.7809000000e-03  1.1080000000e-03  9.8140000000e-04  3.3282000000e-03  1.2650000000e-04 -2.5829000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8771400000e-01 -5.4346900000e-01  5.2484900000e-01 -5.2526900000e-01 -6.2632400000e-01 -4.9803900000e-01  1.7741900000e-01 -3.4316190000e+00  1.1912700000e-01 -4.6148900000e-01 -2.9662570000e+00  6.5900400000e-01  6.8795200000e-01 -2.7385920000e+00 -2.9956200000e-01
+ENERGY -1.526526722257e+02
+FORCES -1.6580000000e-04 -3.1603000000e-03  1.5820000000e-04 -3.1021000000e-03  5.7480000000e-04 -3.6472000000e-03  3.4821000000e-03  1.6819000000e-03  3.2397000000e-03 -4.2450000000e-04  3.1548000000e-03  6.6880000000e-04  3.5144000000e-03 -9.7480000000e-04 -3.3997000000e-03 -3.3039000000e-03 -1.2764000000e-03  2.9803000000e-03
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7626100000e-01 -7.0352600000e-01  5.2887700000e-01 -5.0392400000e-01 -4.5182400000e-01 -6.7686600000e-01 -3.3103870000e+00 -5.5773000000e-02 -2.1796900000e-01 -2.8303740000e+00 -7.2549400000e-01  2.6915900000e-01 -3.8110540000e+00 -5.4595600000e-01 -8.7010700000e-01
+ENERGY -1.526536281132e+02
+FORCES -4.3520000000e-04 -2.7940000000e-03 -2.2359000000e-03 -2.9465000000e-03  2.7808000000e-03 -1.9838000000e-03  2.9080000000e-03 -7.8600000000e-05  3.8949000000e-03 -8.1470000000e-04 -3.5121000000e-03  1.5548000000e-03 -2.0575000000e-03  1.5222000000e-03 -3.7170000000e-03  3.3459000000e-03  2.0817000000e-03  2.4870000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0044400000e-01 -6.7711800000e-01 -5.4533200000e-01 -6.4652000000e-01  4.1610900000e-01 -5.7017300000e-01 -1.5548750000e+00 -1.3093200000e+00  1.8870070000e+00 -1.0607200000e+00 -9.4011100000e-01  1.1550730000e+00 -2.2009670000e+00 -1.8831050000e+00  1.4752200000e+00
+ENERGY -1.526594757589e+02
+FORCES -1.9330000000e-04  2.3090000000e-04 -2.7189000000e-03 -4.2951000000e-03  2.8485000000e-03  3.6428000000e-03  2.5891000000e-03 -4.3802000000e-03  3.7705000000e-03  7.0548000000e-03  5.6497000000e-03 -9.3449000000e-03 -8.0748000000e-03 -6.9436000000e-03  5.1235000000e-03  2.9193000000e-03  2.5947000000e-03 -4.7300000000e-04
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4060700000e-01 -4.2879500000e-01  5.6744100000e-01  4.0490800000e-01  6.6603600000e-01  5.5558800000e-01  1.6523840000e+00 -1.5884620000e+00 -1.6278930000e+00  1.1159060000e+00 -9.1934400000e-01 -1.2028000000e+00  2.0723380000e+00 -1.1319270000e+00 -2.3568970000e+00
+ENERGY -1.526614303728e+02
+FORCES  3.8140000000e-04 -2.5967000000e-03  3.2282000000e-03  2.9873000000e-03  3.5055000000e-03 -1.5601000000e-03 -2.3050000000e-03 -3.2590000000e-03 -2.5233000000e-03 -6.3292000000e-03  7.1604000000e-03  4.5865000000e-03  6.9528000000e-03 -4.6601000000e-03 -6.8054000000e-03 -1.6872000000e-03 -1.5010000000e-04  3.0740000000e-03
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8607200000e-01  4.2097800000e-01  5.1799000000e-01  3.3582900000e-01 -6.9495000000e-01  5.6612300000e-01 -3.1706960000e+00  3.5894000000e-02 -1.7185000000e-02 -2.7965730000e+00 -8.1760400000e-01  2.0145700000e-01 -3.8454850000e+00 -1.5745600000e-01 -6.6795900000e-01
+ENERGY -1.526560381458e+02
+FORCES -2.4577000000e-03  1.8051000000e-03  3.5342000000e-03  5.2116000000e-03 -3.8033000000e-03 -5.7620000000e-04 -2.7862000000e-03  2.0961000000e-03 -2.5818000000e-03 -7.8160000000e-04 -4.5238000000e-03 -4.4494000000e-03 -1.6222000000e-03  4.2009000000e-03  1.1529000000e-03  2.4360000000e-03  2.2510000000e-04  2.9203000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0703000000e-01 -6.0309600000e-01  5.4353300000e-01 -4.4478300000e-01 -5.6358400000e-01 -6.3306600000e-01 -1.8205000000e+00 -1.7460100000e+00 -1.7469380000e+00 -1.2835450000e+00 -2.1950180000e+00 -2.3998560000e+00 -2.2917420000e+00 -1.0766130000e+00 -2.2429940000e+00
+ENERGY -1.526607432130e+02
+FORCES -3.9641000000e-03 -7.5257000000e-03 -2.2373000000e-03 -1.3110000000e-03  1.8176000000e-03 -2.0701000000e-03  6.9868000000e-03  6.6894000000e-03  3.7682000000e-03 -3.4665000000e-03 -7.8230000000e-04 -6.0396000000e-03 -1.7547000000e-03  3.1266000000e-03  4.0334000000e-03  3.5095000000e-03 -3.3257000000e-03  2.5455000000e-03
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7764000000e-01 -7.3934500000e-01 -3.7611300000e-01  6.6252700000e-01  4.9197900000e-01  4.8502200000e-01  1.6143670000e+00  1.5430230000e+00  1.4249760000e+00  1.7986540000e+00  7.7570700000e-01  1.9667280000e+00  2.4729300000e+00  1.8271670000e+00  1.1113450000e+00
+ENERGY -1.526561687448e+02
+FORCES  1.1084800000e-02  1.1230700000e-02  6.5901000000e-03  5.0570000000e-04  3.2874000000e-03  2.7340000000e-03 -3.3581000000e-03 -1.0814500000e-02  4.0930000000e-04 -6.2880000000e-04 -3.0349000000e-03 -3.4063000000e-03 -3.1323000000e-03  2.1511000000e-03 -8.4914000000e-03 -4.4712000000e-03 -2.8199000000e-03  2.1644000000e-03
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1293900000e-01  8.0280300000e-01  4.7581100000e-01  4.8535900000e-01 -5.3142700000e-01  6.3106600000e-01  1.6153180000e+00 -1.6420960000e+00 -1.5142930000e+00  1.1506050000e+00 -1.0690140000e+00 -2.1240880000e+00  2.2567720000e+00 -1.0718530000e+00 -1.0905120000e+00
+ENERGY -1.526543721973e+02
+FORCES  2.2270000000e-03 -4.9032000000e-03  3.0598000000e-03  2.2881000000e-03 -3.8492000000e-03 -3.0982000000e-03 -1.2549000000e-03  4.8049000000e-03 -1.0005000000e-03 -5.4987000000e-03  1.0808200000e-02  1.5151000000e-03  3.5420000000e-03 -3.6297000000e-03 -8.8170000000e-04 -1.3035000000e-03 -3.2311000000e-03  4.0540000000e-04
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8263500000e-01  4.8799700000e-01 -4.6054300000e-01  4.6504200000e-01  6.6227000000e-01  5.1124000000e-01 -1.8003110000e+00  1.6242830000e+00  1.5341310000e+00 -2.5090910000e+00  2.0050440000e+00  2.0526720000e+00 -1.2339860000e+00  1.1986030000e+00  2.1777950000e+00
+ENERGY -1.526562287046e+02
+FORCES -5.7583000000e-03  8.3113000000e-03  1.1045000000e-03  4.2066000000e-03 -3.4647000000e-03 -1.3641000000e-03 -8.8270000000e-04 -3.5810000000e-03  6.7580000000e-04  3.8050000000e-04 -2.9955000000e-03  4.2165000000e-03  3.1956000000e-03 -2.4836000000e-03 -2.2730000000e-03 -1.1418000000e-03  4.2135000000e-03 -2.3597000000e-03
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0463700000e-01 -7.2758400000e-01  4.7235900000e-01 -7.4524900000e-01 -3.9343200000e-01 -4.5392500000e-01 -3.4405220000e+00 -4.6030000000e-02 -7.6286000000e-02 -2.8492460000e+00 -5.4916300000e-01  4.8360900000e-01 -4.0137150000e+00 -7.0289500000e-01 -4.7152100000e-01
+ENERGY -1.526544120941e+02
+FORCES -7.6390000000e-04 -3.0690000000e-03 -1.9329000000e-03 -2.8267000000e-03  2.9847000000e-03 -1.6876000000e-03  3.8298000000e-03 -3.0350000000e-04  4.4125000000e-03 -2.1473000000e-03 -3.4746000000e-03  2.5946000000e-03 -1.3970000000e-03  1.0365000000e-03 -5.0153000000e-03  3.3051000000e-03  2.8259000000e-03  1.6287000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8822700000e-01 -6.3168800000e-01 -4.1375300000e-01  5.6751600000e-01  5.1859400000e-01  5.7027800000e-01 -1.4333240000e+00 -1.7634200000e+00 -1.5926230000e+00 -1.9571770000e+00 -1.0606890000e+00 -1.2079430000e+00 -2.0421040000e+00 -2.2311900000e+00 -2.1642960000e+00
+ENERGY -1.526585748526e+02
+FORCES  3.8465000000e-03 -3.5665000000e-03 -1.8045000000e-03  1.2600000000e-05  4.9479000000e-03  3.8058000000e-03 -1.9776000000e-03 -2.5966000000e-03 -2.5876000000e-03 -3.4481000000e-03  3.8981000000e-03  1.9673000000e-03 -5.6270000000e-04 -5.1207000000e-03 -4.0095000000e-03  2.1293000000e-03  2.4378000000e-03  2.6285000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7723700000e-01  4.2029000000e-01 -5.3003600000e-01 -4.6361300000e-01 -3.1514200000e-01  7.7587400000e-01  1.2813070000e+00 -1.6230840000e+00 -1.5203150000e+00  9.6920400000e-01 -1.1059660000e+00 -7.7774300000e-01  1.8714200000e+00 -1.0347560000e+00 -1.9913460000e+00
+ENERGY -1.526569975421e+02
+FORCES  2.7002000000e-03 -8.6357000000e-03 -1.1187000000e-02  2.6027000000e-03 -1.1096000000e-03  4.5233000000e-03  2.1074000000e-03  9.2660000000e-04 -5.1785000000e-03 -9.1975000000e-03  1.5099100000e-02  1.3074600000e-02  4.4754000000e-03 -5.8416000000e-03 -2.5737000000e-03 -2.6882000000e-03 -4.3890000000e-04  1.3412000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9862400000e-01  5.7822700000e-01 -5.7728700000e-01  6.4802100000e-01  5.7204300000e-01  4.1117900000e-01  1.6850990000e+00  1.5451320000e+00 -1.4921180000e+00  2.0748140000e+00  2.2790060000e+00 -1.9672840000e+00  1.1813220000e+00  1.0712080000e+00 -2.1538100000e+00
+ENERGY -1.526555781850e+02
+FORCES  7.0135000000e-03  1.0475900000e-02 -3.2494000000e-03  5.7550000000e-04 -3.4550000000e-03 -9.7520000000e-04 -3.6605000000e-03 -3.6335000000e-03  2.4013000000e-03 -1.8481000000e-03 -4.1625000000e-03 -3.0349000000e-03 -2.6958000000e-03 -3.7717000000e-03  2.4974000000e-03  6.1540000000e-04  4.5468000000e-03  2.3608000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6663500000e-01  4.8981200000e-01  6.7717700000e-01  5.0232800000e-01  6.6347100000e-01 -4.7297500000e-01 -3.4955930000e+00  3.4930000000e-02  4.7368000000e-02 -2.8113420000e+00  6.2219600000e-01 -2.7380500000e-01 -3.7516780000e+00 -4.7731300000e-01 -7.1961200000e-01
+ENERGY -1.526549517389e+02
+FORCES  1.8684000000e-03  3.3556000000e-03  2.8634000000e-03  1.4582000000e-03 -9.5770000000e-04 -4.7914000000e-03 -3.2115000000e-03 -2.8068000000e-03  1.6815000000e-03  3.0900000000e-03 -1.5177000000e-03 -5.8014000000e-03 -3.2149000000e-03 -4.5330000000e-04  3.0366000000e-03  9.8000000000e-06  2.3798000000e-03  3.0112000000e-03
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9098800000e-01  4.0235000000e-01 -6.3645900000e-01  6.3894200000e-01 -4.7416700000e-01 -5.3211900000e-01 -1.8390910000e+00 -1.5175690000e+00 -1.8311260000e+00 -1.1133240000e+00 -1.3252950000e+00 -2.4248640000e+00 -2.4149040000e+00 -2.0931590000e+00 -2.3344800000e+00
+ENERGY -1.526524852569e+02
+FORCES -3.9441000000e-03 -3.3870000000e-03 -5.1696000000e-03  4.8474000000e-03  3.0000000000e-04  1.5460000000e-03 -1.9839000000e-03  2.2569000000e-03  9.1170000000e-04  3.6790000000e-04 -2.6801000000e-03 -3.7706000000e-03 -2.2891000000e-03  1.0496000000e-03  3.7585000000e-03  3.0017000000e-03  2.4606000000e-03  2.7240000000e-03
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5841900000e-01 -5.6850400000e-01 -5.3028600000e-01 -2.5882600000e-01  7.0424800000e-01 -5.9437000000e-01  1.6741210000e+00 -1.4561140000e+00 -1.6104830000e+00  2.3368750000e+00 -1.9907370000e+00 -1.1732560000e+00  2.1750400000e+00 -8.6583900000e-01 -2.1734100000e+00
+ENERGY -1.526602350934e+02
+FORCES  8.0095000000e-03 -7.1891000000e-03 -1.0666300000e-02 -5.6296000000e-03  5.6157000000e-03  6.4188000000e-03  1.6569000000e-03 -1.9379000000e-03  9.9410000000e-04  1.6682000000e-03  2.9968000000e-03  2.6564000000e-03 -3.0724000000e-03  3.4528000000e-03 -2.6814000000e-03 -2.6325000000e-03 -2.9383000000e-03  3.2784000000e-03
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2887800000e-01  5.8702400000e-01 -5.4029900000e-01 -5.0434900000e-01 -5.1590900000e-01 -6.2904800000e-01  1.6233890000e+00  1.5991710000e+00  1.4557120000e+00  1.2246310000e+00  2.4449080000e+00  1.2508840000e+00  9.7499000000e-01  1.1539610000e+00  2.0012380000e+00
+ENERGY -1.526559442971e+02
+FORCES  5.6654000000e-03  3.5551000000e-03 -1.7079000000e-03 -5.4711000000e-03 -2.5394000000e-03 -1.0692000000e-03  3.1094000000e-03  3.0416000000e-03  2.8247000000e-03 -8.9934000000e-03 -4.2351000000e-03  6.5400000000e-04  1.6385000000e-03 -3.7606000000e-03 -1.3019000000e-03  4.0513000000e-03  3.9384000000e-03  6.0020000000e-04
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8737800000e-01  5.6536300000e-01 -3.5228900000e-01 -5.3209000000e-02 -7.2769100000e-01 -6.1957000000e-01 -1.6357430000e+00 -1.9867450000e+00  1.7896910000e+00 -2.1018960000e+00 -1.4845620000e+00  1.1213000000e+00 -9.8525700000e-01 -2.4909190000e+00  1.3009090000e+00
+ENERGY -1.526528483580e+02
+FORCES  3.5385000000e-03  2.7560000000e-04 -3.4733000000e-03 -3.0195000000e-03 -2.7940000000e-03  1.8365000000e-03 -1.1689000000e-03  2.0142000000e-03  3.7256000000e-03  3.1689000000e-03  3.9289000000e-03 -4.9993000000e-03  4.1940000000e-04 -4.1415000000e-03  2.0322000000e-03 -2.9384000000e-03  7.1680000000e-04  8.7830000000e-04
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8306200000e-01 -2.6881500000e-01  4.8039900000e-01  3.3359000000e-01  3.4988200000e-01 -8.2615500000e-01  1.7059890000e+00 -1.8171840000e+00  1.6142830000e+00  2.2778680000e+00 -2.3824930000e+00  1.0950410000e+00  2.3049820000e+00 -1.2410030000e+00  2.0891040000e+00
+ENERGY -1.526578367186e+02
+FORCES  5.8547000000e-03 -4.4382000000e-03  2.4281000000e-03 -3.1496000000e-03  8.1994000000e-03 -4.4507000000e-03 -3.0910000000e-04 -1.9671000000e-03  3.2151000000e-03  4.1180000000e-03 -4.2606000000e-03  9.9690000000e-04 -2.4041000000e-03  3.5496000000e-03  2.5561000000e-03 -4.1099000000e-03 -1.0832000000e-03 -4.7455000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3436900000e-01 -5.3006400000e-01 -6.6827200000e-01  7.0721300000e-01  2.8074400000e-01  5.8074400000e-01 -3.2479350000e+00  1.7691900000e-01  1.0841200000e-01 -3.7579520000e+00  8.0865200000e-01 -3.9856700000e-01 -2.5990380000e+00  7.0781600000e-01  5.7027000000e-01
+ENERGY -1.526555013396e+02
+FORCES  4.5697000000e-03 -3.1241000000e-03 -2.1431000000e-03 -7.5400000000e-04  2.5986000000e-03  3.0414000000e-03 -3.8303000000e-03 -7.3890000000e-04 -2.2026000000e-03  3.9613000000e-03  4.2665000000e-03 -2.4300000000e-04  1.9758000000e-03 -2.4861000000e-03  1.7146000000e-03 -5.9225000000e-03 -5.1600000000e-04 -1.6740000000e-04
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4162000000e-01 -5.8288100000e-01 -5.3210000000e-01 -6.6160300000e-01  3.3288900000e-01 -6.0638200000e-01  1.7711710000e+00 -1.7082270000e+00 -1.9893410000e+00  2.4082850000e+00 -2.0686040000e+00 -1.3725380000e+00  2.2784480000e+00 -1.1065450000e+00 -2.5342100000e+00
+ENERGY -1.526608045831e+02
+FORCES  1.1989000000e-03 -3.8328000000e-03 -7.4812000000e-03 -3.7155000000e-03  5.0942000000e-03  7.3839000000e-03  2.1056000000e-03 -4.7680000000e-04  2.1224000000e-03  6.8373000000e-03 -7.1770000000e-04 -2.4229000000e-03 -3.8712000000e-03  2.8575000000e-03 -2.4876000000e-03 -2.5552000000e-03 -2.9243000000e-03  2.8854000000e-03
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5027600000e-01  4.4930200000e-01 -5.3990700000e-01 -4.9944600000e-01 -3.4446600000e-01  7.4035700000e-01 -1.5042910000e+00 -1.9752890000e+00 -1.4573360000e+00 -2.1457550000e+00 -1.3546020000e+00 -1.1116430000e+00 -8.8974200000e-01 -1.4341690000e+00 -1.9530670000e+00
+ENERGY -1.526497978788e+02
+FORCES -6.8802000000e-03 -5.5455000000e-03  4.2000000000e-04  1.4549000000e-03 -3.7584000000e-03 -2.5280000000e-04  1.4563000000e-03  3.2083000000e-03 -2.5648000000e-03  5.8643000000e-03  7.8654000000e-03  2.8489000000e-03  2.6269000000e-03 -7.2560000000e-04 -7.5300000000e-05 -4.5221000000e-03 -1.0443000000e-03 -3.7600000000e-04
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2100500000e-01 -3.7475100000e-01  7.1017400000e-01  6.2521900000e-01  5.1421900000e-01 -5.1079500000e-01  1.5309740000e+00 -1.4480110000e+00  1.6546090000e+00  1.9747230000e+00 -2.0442840000e+00  1.0514700000e+00  2.2252050000e+00 -8.7457600000e-01  1.9793370000e+00
+ENERGY -1.526582087076e+02
+FORCES  1.0604500000e-02 -8.5040000000e-03  1.0585100000e-02 -3.8714000000e-03  7.6921000000e-03 -6.0696000000e-03 -4.7470000000e-04 -2.4049000000e-03  2.3919000000e-03 -7.9000000000e-05  4.9030000000e-04 -6.1428000000e-03 -1.2979000000e-03  4.2945000000e-03  3.5536000000e-03 -4.8815000000e-03 -1.5680000000e-03 -4.3182000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6698100000e-01 -4.6887300000e-01  5.0152400000e-01  4.9317700000e-01  6.3197200000e-01 -5.2308700000e-01  1.8612850000e+00  1.5970430000e+00  1.5838270000e+00  2.4794450000e+00  1.1972170000e+00  9.7206900000e-01  1.3440600000e+00  2.1959350000e+00  1.0452740000e+00
+ENERGY -1.526504299584e+02
+FORCES  7.8565000000e-03  3.1164000000e-03  5.8206000000e-03 -1.7976000000e-03 -3.9300000000e-04 -4.2768000000e-03 -8.8530000000e-04 -1.3880000000e-04  1.8989000000e-03 -3.9492000000e-03  3.4110000000e-04 -5.4343000000e-03 -4.6566000000e-03 -3.8570000000e-04  1.5145000000e-03  3.4323000000e-03 -2.5399000000e-03  4.7710000000e-04
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9227800000e-01  5.1839600000e-01 -5.4470500000e-01  4.6108700000e-01  6.4596100000e-01  5.3513100000e-01  1.4949860000e+00 -1.8511490000e+00  1.4990240000e+00  9.9145800000e-01 -1.3842110000e+00  2.1658510000e+00  1.7883930000e+00 -1.1671470000e+00  8.9712300000e-01
+ENERGY -1.526516267365e+02
+FORCES -7.1850000000e-04  2.9808000000e-03  2.4160000000e-04  2.6530000000e-03 -3.0003000000e-03  3.1492000000e-03  1.8520000000e-04 -5.7567000000e-03 -1.5177000000e-03 -7.1854000000e-03  6.5395000000e-03 -5.2057000000e-03  3.1672000000e-03 -8.2600000000e-04 -1.0446000000e-03  1.8985000000e-03  6.2700000000e-05  4.3773000000e-03
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7038500000e-01 -3.8665600000e-01  5.6330500000e-01  3.9920100000e-01  6.8441500000e-01  5.3707200000e-01  1.6505590000e+00 -1.5404970000e+00  1.6838850000e+00  2.0410630000e+00 -2.3026730000e+00  2.1114670000e+00  9.6403800000e-01 -1.9044380000e+00  1.1248970000e+00
+ENERGY -1.526552759106e+02
+FORCES  3.3762000000e-03  2.2824000000e-03  7.9830000000e-03  3.8894000000e-03 -1.6660000000e-03 -2.7543000000e-03 -3.4920000000e-03 -1.0666000000e-03 -3.5070000000e-03 -2.1421000000e-03 -1.7692000000e-03 -4.8592000000e-03 -2.4251000000e-03  3.3143000000e-03 -2.7584000000e-03  7.9360000000e-04 -1.0950000000e-03  5.8959000000e-03
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2037300000e-01 -3.5840800000e-01 -5.1849700000e-01 -5.5270900000e-01  4.5215900000e-01 -6.3741500000e-01  1.7212500000e+00  1.4717010000e+00  1.5498590000e+00  1.3276690000e+00  2.2202120000e+00  1.9982540000e+00  9.9214700000e-01  8.6896900000e-01  1.4037270000e+00
+ENERGY -1.526592951015e+02
+FORCES  4.9160000000e-03  5.4193000000e-03 -3.1423000000e-03 -4.1835000000e-03  1.4301000000e-03  2.5886000000e-03  2.4474000000e-03 -2.5718000000e-03  2.1140000000e-03 -1.0226000000e-02 -4.7403000000e-03 -5.0370000000e-03  1.7220000000e-04 -2.4983000000e-03 -2.1636000000e-03  6.8740000000e-03  2.9611000000e-03  5.6404000000e-03
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8356600000e-01  3.2770100000e-01 -5.8445000000e-01 -4.0480800000e-01 -7.4085400000e-01  4.5110700000e-01  1.8688850000e+00  1.7021760000e+00  1.8603110000e+00  2.2479590000e+00  9.2383500000e-01  2.2686250000e+00  1.2668860000e+00  1.3579830000e+00  1.2004920000e+00
+ENERGY -1.526606518987e+02
+FORCES -5.5200000000e-03 -2.7468000000e-03 -1.3839000000e-03  2.8891000000e-03 -1.9379000000e-03  2.9500000000e-03  1.8166000000e-03  3.3696000000e-03 -2.3186000000e-03 -3.2209000000e-03 -6.6705000000e-03 -4.1754000000e-03 -1.1001000000e-03  2.5127000000e-03 -5.6360000000e-04  5.1354000000e-03  5.4728000000e-03  5.4915000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2435500000e-01 -5.1730100000e-01 -6.1129600000e-01 -5.2100800000e-01  5.7648700000e-01 -5.5896800000e-01  1.8636700000e+00  1.5276250000e+00 -1.6926440000e+00  1.3990640000e+00  1.8038090000e+00 -9.0264700000e-01  1.2474250000e+00  9.5097200000e-01 -2.1442470000e+00
+ENERGY -1.526517881143e+02
+FORCES  2.3884000000e-03 -7.1400000000e-04 -5.6768000000e-03 -3.2969000000e-03  3.3854000000e-03  7.4390000000e-04  5.2764000000e-03 -5.9130000000e-04  1.4774000000e-03 -6.0252000000e-03 -2.8569000000e-03  6.0072000000e-03  9.1150000000e-04  1.0869000000e-03 -5.2049000000e-03  7.4580000000e-04 -3.1010000000e-04  2.6531000000e-03
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8088000000e-01 -6.4192600000e-01 -2.0140800000e-01 -4.4073300000e-01 -3.5223700000e-01  7.7325000000e-01 -1.9496190000e+00 -1.5139060000e+00 -1.5311640000e+00 -1.3916400000e+00 -1.1761050000e+00 -2.2317220000e+00 -2.6184250000e+00 -2.0278110000e+00 -1.9837480000e+00
+ENERGY -1.526540712589e+02
+FORCES -3.8581000000e-03 -7.1538000000e-03  1.8125000000e-03 -2.0653000000e-03  2.9678000000e-03 -3.2210000000e-04  3.4819000000e-03  2.4966000000e-03 -1.1061000000e-03  1.9887000000e-03  2.8020000000e-03 -4.4191000000e-03 -2.7500000000e-03 -3.7020000000e-03  1.2453000000e-03  3.2028000000e-03  2.5893000000e-03  2.7895000000e-03
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6045100000e-01  5.8017100000e-01  5.1529400000e-01  5.9208000000e-01  5.9014000000e-01 -4.6627000000e-01 -1.5143310000e+00 -1.5451280000e+00  1.8126840000e+00 -1.0349550000e+00 -2.0687350000e+00  1.1706040000e+00 -2.2166880000e+00 -1.1327720000e+00  1.3098040000e+00
+ENERGY -1.526555236337e+02
+FORCES -1.1433000000e-03  3.4278000000e-03  4.1843000000e-03  1.0155000000e-03 -9.7320000000e-04 -4.9100000000e-03 -2.7040000000e-03 -2.6955000000e-03  2.9481000000e-03  3.7591000000e-03  2.8370000000e-04 -9.0251000000e-03 -3.6487000000e-03 -8.1620000000e-04  4.0669000000e-03  2.7213000000e-03  7.7350000000e-04  2.7357000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5473300000e-01  5.7819100000e-01 -5.2363900000e-01 -4.2568400000e-01 -5.6937600000e-01 -6.4096400000e-01 -9.0234000000e-02 -3.2561800000e+00 -2.1526000000e-01  5.4676200000e-01 -2.8869610000e+00 -8.2693300000e-01 -4.6563000000e-01 -4.0031200000e+00 -6.8151300000e-01
+ENERGY -1.526542282941e+02
+FORCES -1.5135000000e-03 -7.2930000000e-04 -3.3514000000e-03 -1.9161000000e-03 -3.3765000000e-03  1.9782000000e-03  3.5316000000e-03  4.0666000000e-03  8.1910000000e-04  2.8416000000e-03 -3.0017000000e-03 -2.7846000000e-03 -4.4793000000e-03 -8.2740000000e-04  1.3231000000e-03  1.5357000000e-03  3.8683000000e-03  2.0157000000e-03
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6502900000e-01 -5.3178200000e-01 -5.6052000000e-01 -3.9263900000e-01  6.4026200000e-01 -5.9340600000e-01 -1.6932060000e+00 -1.7132330000e+00 -1.7939760000e+00 -2.2804690000e+00 -1.1712460000e+00 -1.2670940000e+00 -1.2398200000e+00 -1.0919190000e+00 -2.3637490000e+00
+ENERGY -1.526514339809e+02
+FORCES -3.9310000000e-04 -3.9666000000e-03 -6.2169000000e-03 -1.0609000000e-03  4.0821000000e-03  1.6094000000e-03 -2.3800000000e-05 -3.2845000000e-03  1.3599000000e-03  5.4290000000e-04  6.4610000000e-03  4.5389000000e-03  9.9490000000e-04 -1.7146000000e-03 -4.0629000000e-03 -6.0100000000e-05 -1.5774000000e-03  2.7717000000e-03
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3193000000e-01 -5.1589600000e-01  6.8082300000e-01 -6.4281100000e-01 -5.9740200000e-01 -3.8227800000e-01 -1.6606180000e+00  1.5307370000e+00  2.0450940000e+00 -1.1816330000e+00  9.1903100000e-01  1.4859690000e+00 -9.9143100000e-01  1.9087720000e+00  2.6156280000e+00
+ENERGY -1.526590399856e+02
+FORCES  1.3665000000e-03 -5.8388000000e-03 -3.1026000000e-03 -4.2851000000e-03  4.5534000000e-03 -1.7170000000e-03  3.0041000000e-03  3.5166000000e-03  3.3621000000e-03  7.2444000000e-03 -1.6885000000e-03 -5.3007000000e-03 -5.3322000000e-03  1.3558000000e-03  8.3976000000e-03 -1.9978000000e-03 -1.8984000000e-03 -1.6394000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5860300000e-01  6.0965000000e-01  5.7813700000e-01  7.3828000000e-01  5.0364800000e-01 -3.4280200000e-01 -1.4685060000e+00 -1.5517510000e+00 -1.7339460000e+00 -1.9952980000e+00 -2.0210860000e+00 -1.0870710000e+00 -1.0525510000e+00 -8.4626500000e-01 -1.2384640000e+00
+ENERGY -1.526599764758e+02
+FORCES  3.9880000000e-04  8.9730000000e-04 -1.3740000000e-03  2.1213000000e-03 -3.4559000000e-03 -3.6378000000e-03 -4.6290000000e-03 -1.9769000000e-03  2.0787000000e-03  6.9845000000e-03  6.3015000000e-03  1.1359100000e-02  9.4100000000e-04  1.6820000000e-03 -1.5842000000e-03 -5.8166000000e-03 -3.4480000000e-03 -6.8419000000e-03
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0487000000e-01 -5.5770400000e-01  5.9186500000e-01 -6.0119300000e-01 -6.0030200000e-01 -4.4095000000e-01  1.6861180000e+00  1.5968480000e+00  1.6238320000e+00  1.0246580000e+00  1.1094420000e+00  2.1148910000e+00  1.9626050000e+00  2.2931600000e+00  2.2195980000e+00
+ENERGY -1.526521508109e+02
+FORCES  2.3994000000e-03 -4.0105000000e-03 -6.6300000000e-05 -4.1984000000e-03  3.0360000000e-03  3.8800000000e-05  2.9004000000e-03  3.3453000000e-03  1.8083000000e-03 -4.3454000000e-03  1.1061000000e-03  2.4962000000e-03  4.8632000000e-03 -8.3130000000e-04 -1.1971000000e-03 -1.6192000000e-03 -2.6456000000e-03 -3.0800000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9546200000e-01 -4.5228300000e-01 -5.9757600000e-01  5.6519100000e-01  5.8426400000e-01  5.0539700000e-01  1.6247150000e+00  1.6406500000e+00 -1.6385670000e+00  2.2222370000e+00  2.1626840000e+00 -2.1739930000e+00  1.2862860000e+00  9.7443000000e-01 -2.2367700000e+00
+ENERGY -1.526541980108e+02
+FORCES  8.9194000000e-03  6.1924000000e-03 -2.0486000000e-03 -3.0929000000e-03  7.0080000000e-04 -1.2353000000e-03 -3.4987000000e-03 -3.8147000000e-03  1.3575000000e-03 -2.3726000000e-03 -1.1728000000e-03 -4.2716000000e-03 -3.3202000000e-03 -2.5049000000e-03  2.7755000000e-03  3.3651000000e-03  5.9910000000e-04  3.4225000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2061800000e-01  2.6741300000e-01  6.7790600000e-01  4.3680600000e-01 -7.6971200000e-01  3.6465900000e-01  1.5753310000e+00  1.5077520000e+00  1.7864330000e+00  1.9718880000e+00  7.8597900000e-01  1.2985630000e+00  8.9627300000e-01  1.0931900000e+00  2.3186460000e+00
+ENERGY -1.526480986530e+02
+FORCES  7.0450000000e-04  3.3935000000e-03  6.9819000000e-03  2.8210000000e-03 -2.1590000000e-03 -1.1254000000e-03  7.5970000000e-04  5.3703000000e-03 -2.4300000000e-05 -5.6320000000e-03 -7.8395000000e-03 -7.7680000000e-03  8.7240000000e-04  4.1300000000e-04  3.8833000000e-03  4.7440000000e-04  8.2170000000e-04 -1.9475000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0522800000e-01 -5.7109400000e-01 -3.0452600000e-01  3.4868300000e-01  4.1101700000e-01  7.9102300000e-01 -1.3792590000e+00  1.6453080000e+00  1.7128520000e+00 -1.9551400000e+00  2.2454750000e+00  2.1865520000e+00 -1.9634330000e+00  9.6282200000e-01  1.3824190000e+00
+ENERGY -1.526590829514e+02
+FORCES  2.6879000000e-03  3.1760000000e-03  3.8755000000e-03 -2.3610000000e-03  2.9246000000e-03  1.8530000000e-03  6.0270000000e-04 -5.5196000000e-03 -4.7979000000e-03 -3.8981000000e-03 -2.0114000000e-03 -2.6350000000e-03  1.5906000000e-03 -2.8028000000e-03 -2.5365000000e-03  1.3779000000e-03  4.2332000000e-03  4.2410000000e-03
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8957500000e-01  5.1064700000e-01 -4.2421500000e-01 -4.3772700000e-01 -4.3125800000e-01  7.3392300000e-01  1.6337720000e+00  1.5732110000e+00  1.5668480000e+00  1.0482550000e+00  2.0509480000e+00  2.1543590000e+00  1.0498660000e+00  1.0395560000e+00  1.0278700000e+00
+ENERGY -1.526591871002e+02
+FORCES -2.5050000000e-03  1.1674000000e-03  7.8060000000e-04  3.5673000000e-03 -2.4970000000e-03  3.7564000000e-03  3.5233000000e-03  5.4020000000e-03 -2.8343000000e-03 -9.1279000000e-03 -6.8308000000e-03 -8.4712000000e-03  4.2790000000e-04 -2.5083000000e-03 -2.4911000000e-03  4.1144000000e-03  5.2668000000e-03  9.2597000000e-03
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4581700000e-01  6.5347200000e-01 -6.5481300000e-01 -5.9024000000e-01 -5.9406400000e-01 -4.6361300000e-01 -1.5986090000e+00  1.6757110000e+00 -1.4288860000e+00 -1.2723780000e+00  1.0893820000e+00 -2.1115460000e+00 -2.2014660000e+00  1.1363030000e+00 -9.1718900000e-01
+ENERGY -1.526486799963e+02
+FORCES -7.2649000000e-03  9.2440000000e-03 -8.3961000000e-03  1.8329000000e-03 -4.8292000000e-03 -8.2780000000e-04 -2.0750000000e-04  2.8537000000e-03  7.0220000000e-04  1.4845000000e-03 -9.1241000000e-03  6.8734000000e-03  2.5031000000e-03  8.3980000000e-04  5.6128000000e-03  1.6519000000e-03  1.0158000000e-03 -3.9645000000e-03
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4345900000e-01 -6.8097400000e-01  5.7839600000e-01 -5.2934000000e-01 -4.7424800000e-01 -6.4118700000e-01 -1.6303210000e+00 -1.5871610000e+00 -1.8403060000e+00 -1.1122520000e+00 -2.2924370000e+00 -2.2281490000e+00 -2.2179200000e+00 -2.0298330000e+00 -1.2279340000e+00
+ENERGY -1.526607047677e+02
+FORCES -4.8010000000e-03 -7.0791000000e-03 -5.9737000000e-03 -1.5105000000e-03  1.5252000000e-03 -2.0419000000e-03  5.7262000000e-03  4.7995000000e-03  8.0979000000e-03 -1.4555000000e-03 -5.0305000000e-03 -8.3330000000e-04 -2.5793000000e-03  3.4407000000e-03  3.1672000000e-03  4.6200000000e-03  2.3442000000e-03 -2.4162000000e-03
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3046800000e-01  4.3698400000e-01 -7.8490000000e-01 -7.7320100000e-01 -4.0534200000e-01  3.9254200000e-01 -2.0685400000e-01  3.0779250000e+00  1.2884800000e-01 -6.8684900000e-01  3.4739810000e+00 -5.9845900000e-01  1.0830700000e-01  3.8220250000e+00  6.4189800000e-01
+ENERGY -1.526523191915e+02
+FORCES -4.5561000000e-03  4.8896000000e-03 -7.9370000000e-04  6.0720000000e-04 -3.8326000000e-03  1.0678000000e-03  2.9934000000e-03  1.1598000000e-03 -1.4647000000e-03  6.8420000000e-04  4.5896000000e-03  7.7340000000e-04  1.9353000000e-03 -3.5714000000e-03  2.6455000000e-03 -1.6641000000e-03 -3.2350000000e-03 -2.2282000000e-03
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9848000000e-01  5.1445000000e-01 -6.3489400000e-01 -5.3154400000e-01 -5.9042600000e-01 -5.3393700000e-01 -1.6590770000e+00  1.6687830000e+00  1.8482850000e+00 -1.0059510000e+00  1.3287210000e+00  1.2367170000e+00 -2.3618670000e+00  2.0000150000e+00  1.2891760000e+00
+ENERGY -1.526601481036e+02
+FORCES -1.8060000000e-04 -3.5493000000e-03 -4.8117000000e-03 -3.7848000000e-03 -1.6191000000e-03  3.6141000000e-03  3.0270000000e-03  3.3975000000e-03  1.7211000000e-03  3.4510000000e-03 -4.3798000000e-03 -7.2022000000e-03 -4.7819000000e-03  7.4369000000e-03  5.2477000000e-03  2.2693000000e-03 -1.2862000000e-03  1.4311000000e-03
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5622400000e-01  3.6576600000e-01 -6.8779500000e-01 -5.6401700000e-01 -6.2232000000e-01  4.5916600000e-01  1.7985730000e+00  1.5580360000e+00 -1.7829610000e+00  1.1077000000e+00  2.1266510000e+00 -1.4429580000e+00  2.1411970000e+00  1.1084410000e+00 -1.0104940000e+00
+ENERGY -1.526566096285e+02
+FORCES -4.1580000000e-03 -1.5025000000e-03 -2.8863000000e-03  1.5050000000e-03  1.9700000000e-05  4.5606000000e-03  2.4513000000e-03  2.6498000000e-03 -2.6338000000e-03 -2.0059000000e-03 -2.3791000000e-03  8.1733000000e-03  6.8290000000e-04 -2.1593000000e-03 -2.8403000000e-03  1.5246000000e-03  3.3714000000e-03 -4.3735000000e-03
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8868400000e-01  4.1033100000e-01  6.3349100000e-01 -5.4569400000e-01 -6.4240900000e-01 -4.5360800000e-01 -1.5581820000e+00 -1.7156480000e+00 -1.5233550000e+00 -2.1854740000e+00 -1.2610180000e+00 -2.0855360000e+00 -2.0892380000e+00 -2.0746230000e+00 -8.1247700000e-01
+ENERGY -1.526590780983e+02
+FORCES -8.3204000000e-03 -7.4252000000e-03 -7.4017000000e-03  5.4530000000e-04 -2.3721000000e-03 -2.5910000000e-03  3.7265000000e-03  5.2067000000e-03  9.2572000000e-03 -2.8133000000e-03  2.3494000000e-03 -8.0250000000e-04  2.5355000000e-03 -2.8345000000e-03  3.8922000000e-03  4.3264000000e-03  5.0757000000e-03 -2.3541000000e-03
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2547200000e-01 -1.8936100000e-01  5.9503300000e-01  4.1969200000e-01  3.4599100000e-01 -7.8764300000e-01 -1.9248060000e+00  1.5372680000e+00  1.5686550000e+00 -1.4939640000e+00  9.7136400000e-01  9.2806200000e-01 -2.4865970000e+00  2.1084380000e+00  1.0448350000e+00
+ENERGY -1.526612972427e+02
+FORCES  5.1549000000e-03  1.5439000000e-03  6.5540000000e-04 -2.9280000000e-03  7.6040000000e-04 -3.8478000000e-03 -1.5743000000e-03 -1.6765000000e-03  3.7624000000e-03  4.1693000000e-03 -3.9339000000e-03 -7.1437000000e-03 -7.1709000000e-03  5.2443000000e-03  5.6866000000e-03  2.3491000000e-03 -1.9383000000e-03  8.8710000000e-04
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6175000000e-01  5.5934300000e-01 -6.2462300000e-01 -7.5086100000e-01 -3.3678500000e-01 -4.8889200000e-01  1.9373620000e+00  1.6445230000e+00 -1.6595550000e+00  2.4581330000e+00  9.4908800000e-01 -2.0613020000e+00  2.5401810000e+00  2.0767640000e+00 -1.0545690000e+00
+ENERGY -1.526616887526e+02
+FORCES  2.0537000000e-03  4.6280000000e-03 -6.0993000000e-03 -6.1981000000e-03 -7.0142000000e-03  5.5153000000e-03  3.0002000000e-03  1.1517000000e-03  9.7350000000e-04  6.8642000000e-03  4.3960000000e-04  6.6360000000e-04 -3.1683000000e-03  3.1953000000e-03  2.3302000000e-03 -2.5517000000e-03 -2.4004000000e-03 -3.3833000000e-03
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6639300000e-01  5.9038300000e-01 -4.9686900000e-01  4.1865000000e-01  5.6158200000e-01  6.5237200000e-01 -1.5538540000e+00  1.6869290000e+00 -1.5643890000e+00 -1.9366570000e+00  2.2653170000e+00 -9.0472200000e-01 -2.2789830000e+00  1.1276810000e+00 -1.8430670000e+00
+ENERGY -1.526597829470e+02
+FORCES -5.6222000000e-03  1.0415200000e-02 -7.8786000000e-03  3.3039000000e-03 -6.8794000000e-03  8.4160000000e-03 -2.3441000000e-03 -6.2820000000e-04 -2.1369000000e-03 -3.4163000000e-03 -9.0480000000e-04  8.3070000000e-04  3.4880000000e-03 -4.8315000000e-03 -2.1580000000e-03  4.5908000000e-03  2.8287000000e-03  2.9268000000e-03
+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2644300000e-01  4.3777500000e-01 -5.7632900000e-01 -4.3619700000e-01 -6.4041200000e-01 -5.6199400000e-01  1.8204350000e+00  1.6689400000e+00 -1.5361700000e+00  1.3956860000e+00  2.2924350000e+00 -2.1253000000e+00  2.4190300000e+00  2.2023460000e+00 -1.0132990000e+00
+ENERGY -1.526619152434e+02
+FORCES  5.7636000000e-03  3.5186000000e-03 -6.8593000000e-03 -6.9813000000e-03 -6.4394000000e-03  5.4159000000e-03  1.4881000000e-03  2.6159000000e-03  1.0048000000e-03  2.6930000000e-04  4.9391000000e-03  9.0770000000e-04  2.4734000000e-03 -2.8021000000e-03  2.8357000000e-03 -3.0130000000e-03 -1.8322000000e-03 -3.3047000000e-03
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1252100000e-01  5.6575000000e-01  4.7008100000e-01  4.6914400000e-01 -4.7058000000e-01  6.8897800000e-01  1.6668020000e+00 -1.5632830000e+00 -1.6817600000e+00  1.0115360000e+00 -9.9058000000e-01 -2.0803440000e+00  1.1567400000e+00 -2.2571060000e+00 -1.2638150000e+00
+ENERGY -1.526560577848e+02
+FORCES  3.4027000000e-03 -9.6250000000e-04  4.2193000000e-03  3.2377000000e-03 -2.7309000000e-03 -2.4862000000e-03 -4.2850000000e-03  1.5038000000e-03 -1.7600000000e-03 -9.1925000000e-03  4.2608000000e-03  2.4035000000e-03  3.8128000000e-03 -3.6690000000e-03 -2.2333000000e-03  3.0242000000e-03  1.5978000000e-03 -1.4320000000e-04
+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2589300000e-01  7.5097300000e-01 -4.1338300000e-01  5.9699500000e-01  3.8562800000e-01  6.4118600000e-01  1.6257330000e+00 -1.5634130000e+00  1.7674220000e+00  2.2178520000e+00 -2.0759280000e+00  2.3178350000e+00  2.1929190000e+00 -9.2623700000e-01  1.3332110000e+00
+ENERGY -1.526515078377e+02
+FORCES  2.2470000000e-04  3.0002000000e-03  3.5177000000e-03  1.7515000000e-03 -3.8048000000e-03  2.0591000000e-03  1.1700000000e-03 -9.0540000000e-04 -4.5366000000e-03  4.5389000000e-03 -7.6110000000e-04 -1.2776000000e-03 -3.0618000000e-03  1.9149000000e-03 -2.8284000000e-03 -4.6233000000e-03  5.5620000000e-04  3.0659000000e-03
+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8233100000e-01  4.0327900000e-01  5.3667700000e-01  3.7673800000e-01 -6.7824600000e-01  5.6061000000e-01  1.6595840000e+00 -1.9299020000e+00 -1.5919050000e+00  1.0480620000e+00 -2.3450690000e+00 -9.8370300000e-01  2.1655100000e+00 -1.3257530000e+00 -1.0485140000e+00
+ENERGY -1.526512323734e+02
+FORCES -1.5364000000e-03 -7.1050000000e-04  3.8938000000e-03  3.1024000000e-03 -2.2640000000e-03 -3.0304000000e-03  1.9000000000e-05  1.2358000000e-03 -3.9483000000e-03 -3.5229000000e-03  4.7246000000e-03  3.9485000000e-03  3.2907000000e-03  1.1381000000e-03 -1.7910000000e-04 -1.3528000000e-03 -4.1241000000e-03 -6.8460000000e-04
+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6489300000e-01 -5.1240600000e-01  6.6147300000e-01 -4.5402800000e-01 -6.5229600000e-01 -5.3347900000e-01  5.4045000000e-02 -3.3671160000e+00  8.3140000000e-02  5.2046900000e-01 -4.1326650000e+00  4.1872200000e-01  6.2509300000e-01 -3.0194030000e+00 -6.0186500000e-01
+ENERGY -1.526565520017e+02
+FORCES -2.0150000000e-03 -6.3614000000e-03  2.5607000000e-03 -5.1600000000e-05  3.7350000000e-03 -3.1512000000e-03  3.2137000000e-03  3.3249000000e-03 -1.0220000000e-04  4.1924000000e-03 -4.3343000000e-03 -1.4893000000e-03 -1.7529000000e-03  3.5913000000e-03 -1.5325000000e-03 -3.5866000000e-03  4.4600000000e-05  3.7145000000e-03
+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8223800000e-01  5.7594100000e-01  6.6213200000e-01  6.9865200000e-01 -4.6471200000e-01  4.6060700000e-01  1.8076300000e+00  1.4589930000e+00  1.4955870000e+00  1.1828430000e+00  2.0236580000e+00  1.0405860000e+00  2.4222490000e+00  2.0653070000e+00  1.9089370000e+00
+ENERGY -1.526553329165e+02
+FORCES  7.2436000000e-03  1.1988000000e-03  8.9117000000e-03  1.4192000000e-03  2.0937000000e-03 -3.7022000000e-03 -4.2571000000e-03 -1.2418000000e-03 -3.3869000000e-03 -1.4788000000e-03  2.9807000000e-03 -3.8437000000e-03  2.1390000000e-04 -2.4604000000e-03  4.8436000000e-03 -3.1408000000e-03 -2.5709000000e-03 -2.8224000000e-03
+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4826900000e-01  4.3292900000e-01  5.5547400000e-01  5.0204100000e-01  7.1736600000e-01 -3.8674500000e-01 -1.7434630000e+00  1.6442710000e+00 -1.5401210000e+00 -1.2682190000e+00  1.2282320000e+00 -2.2593480000e+00 -2.2228850000e+00  2.3625430000e+00 -1.9530030000e+00
+ENERGY -1.526559673354e+02
+FORCES -6.0271000000e-03  9.1300000000e-03 -1.1889000000e-03  3.8414000000e-03 -3.2394000000e-03  1.1072000000e-03  1.7540000000e-04 -3.7456000000e-03 -6.3000000000e-05  8.7160000000e-04 -2.7956000000e-03 -4.5360000000e-03 -1.5198000000e-03  4.1768000000e-03  2.3154000000e-03  2.6585000000e-03 -3.5262000000e-03  2.3652000000e-03
+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9030700000e-01 -4.4336400000e-01 -6.0926100000e-01  5.8109000000e-01  4.7038400000e-01  5.9775000000e-01  1.8632110000e+00  1.6310130000e+00 -1.5878210000e+00  2.1946060000e+00  2.2439470000e+00 -2.2441140000e+00  1.1216430000e+00  1.2010680000e+00 -2.0137950000e+00
+ENERGY -1.526564084051e+02
+FORCES  8.3968000000e-03  2.8080000000e-03  1.1038000000e-03 -4.0175000000e-03  2.5708000000e-03 -8.6300000000e-04 -3.9010000000e-03 -3.2349000000e-03 -4.8010000000e-04 -3.7670000000e-03  1.2183000000e-03 -3.3659000000e-03 -2.3045000000e-03 -2.5973000000e-03  2.8182000000e-03  5.5931000000e-03 -7.6500000000e-04  7.8690000000e-04
+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3044100000e-01 -3.7181100000e-01  7.0471400000e-01  6.9208800000e-01  4.8413400000e-01  4.5039900000e-01  1.8008730000e+00  1.8047290000e+00  1.5863640000e+00  2.3396420000e+00  1.3345560000e+00  2.2226790000e+00  2.4223800000e+00  2.3447000000e+00  1.0981090000e+00
+ENERGY -1.526610597555e+02
+FORCES  3.5028000000e-03  5.2629000000e-03  7.2599000000e-03  1.8510000000e-03  6.6580000000e-04 -2.0462000000e-03 -4.7968000000e-03 -7.2029000000e-03 -5.5886000000e-03  5.1361000000e-03  2.6324000000e-03  1.2647000000e-03 -3.0191000000e-03  1.8373000000e-03 -3.6876000000e-03 -2.6739000000e-03 -3.1954000000e-03  2.7978000000e-03
+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8687600000e-01  4.7620200000e-01 -6.7261800000e-01 -6.5392500000e-01 -5.5991600000e-01  4.1845900000e-01 -3.1771000000e-02 -2.6210600000e-01 -3.6738630000e+00  6.8279800000e-01 -6.1299800000e-01 -4.2053700000e+00 -3.7692900000e-01  4.6800200000e-01 -4.1877100000e+00
+ENERGY -1.526551304412e+02
+FORCES -4.4233000000e-03 -1.0034000000e-03 -3.4313000000e-03  1.0694000000e-03 -4.0720000000e-04  4.9327000000e-03  2.5204000000e-03  2.2032000000e-03 -1.2019000000e-03  3.0697000000e-03  4.4910000000e-04 -4.8117000000e-03 -3.3654000000e-03  1.5784000000e-03  1.5515000000e-03  1.1292000000e-03 -2.8200000000e-03  2.9607000000e-03
+
+JOB 60
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3753900000e-01 -5.0913100000e-01  3.3623500000e-01 -4.0243100000e-01 -5.6651700000e-01 -6.5828500000e-01  1.7604110000e+00  1.5898790000e+00  1.4486630000e+00  1.3132630000e+00  9.3270200000e-01  1.9819620000e+00  2.3690840000e+00  2.0153600000e+00  2.0525790000e+00
+ENERGY -1.526521671953e+02
+FORCES  4.1215000000e-03 -2.1655000000e-03 -1.8556000000e-03 -4.8404000000e-03  1.3649000000e-03  1.9078000000e-03  2.1773000000e-03  3.0588000000e-03  2.4482000000e-03 -2.8472000000e-03 -7.0650000000e-04  3.7716000000e-03  4.4676000000e-03  1.8050000000e-04 -2.9795000000e-03 -3.0788000000e-03 -1.7321000000e-03 -3.2924000000e-03
+
+JOB 61
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5631600000e-01  6.7299100000e-01 -3.9220800000e-01  6.2633200000e-01  4.8797800000e-01  5.3461900000e-01  1.5238500000e+00 -1.9276750000e+00 -1.5136880000e+00  1.1653110000e+00 -1.3194420000e+00 -8.6736500000e-01  2.1435640000e+00 -2.4647080000e+00 -1.0199460000e+00
+ENERGY -1.526601757565e+02
+FORCES -1.9456000000e-03  4.6553000000e-03 -2.1993000000e-03  2.6876000000e-03 -2.1066000000e-03  3.4053000000e-03 -1.9846000000e-03 -3.8199000000e-03 -3.6384000000e-03 -4.8649000000e-03  4.5977000000e-03  5.9760000000e-03  8.3774000000e-03 -6.2402000000e-03 -3.0256000000e-03 -2.2700000000e-03  2.9138000000e-03 -5.1800000000e-04
+
+JOB 62
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6534200000e-01 -6.3038900000e-01 -4.4635200000e-01  5.9096000000e-01  4.8886400000e-01  5.7272100000e-01  1.3110620000e+00  1.8684700000e+00  1.5910070000e+00  7.3597100000e-01  2.3803590000e+00  2.1597520000e+00  1.8762660000e+00  1.3851330000e+00  2.1936370000e+00
+ENERGY -1.526599500413e+02
+FORCES  6.7505000000e-03  8.1846000000e-03  5.2340000000e-03 -4.2460000000e-04  2.6790000000e-03  2.7305000000e-03 -2.7424000000e-03 -1.0035200000e-02 -4.3816000000e-03 -3.5666000000e-03  1.0773000000e-03  2.8905000000e-03  4.1178000000e-03 -2.5567000000e-03 -1.9028000000e-03 -4.1347000000e-03  6.5090000000e-04 -4.5706000000e-03
+
+JOB 63
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6908200000e-01 -6.5124500000e-01  5.2160700000e-01 -6.9291800000e-01 -4.9577000000e-01 -4.3624400000e-01  1.4846420000e+00 -1.7624710000e+00 -1.5863870000e+00  1.1324250000e+00 -1.3078690000e+00 -2.3515740000e+00  1.9605910000e+00 -1.0866340000e+00 -1.1037400000e+00
+ENERGY -1.526540768533e+02
+FORCES  1.2437000000e-03 -1.2273200000e-02 -4.4539000000e-03  1.1840000000e-03  4.1918000000e-03 -1.1592000000e-03  8.2640000000e-04  3.7570000000e-03  1.2295000000e-03 -3.6857000000e-03  1.2064600000e-02  1.6053000000e-03  6.1140000000e-04 -3.1487000000e-03  1.8972000000e-03 -1.8000000000e-04 -4.5915000000e-03  8.8110000000e-04
+
+JOB 64
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8125000000e-01 -5.2898500000e-01  4.1509600000e-01  4.7859500000e-01  6.1098100000e-01 -5.6025100000e-01  1.6563030000e+00  1.7605500000e+00 -1.7693890000e+00  2.3595100000e+00  1.2259800000e+00 -2.1381250000e+00  2.1063120000e+00  2.4073940000e+00 -1.2259590000e+00
+ENERGY -1.526608690966e+02
+FORCES  6.7695000000e-03  4.3309000000e-03 -4.9331000000e-03 -1.7049000000e-03  1.7808000000e-03 -1.5045000000e-03 -5.0732000000e-03 -6.2061000000e-03  7.1957000000e-03  5.5041000000e-03  1.8631000000e-03 -1.4119000000e-03 -3.3737000000e-03  2.5462000000e-03  2.9752000000e-03 -2.1217000000e-03 -4.3149000000e-03 -2.3214000000e-03
+
+JOB 65
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7642900000e-01  3.4154400000e-01  5.8482700000e-01 -4.6671100000e-01 -5.9895000000e-01 -5.8281300000e-01 -1.7174010000e+00  1.8765790000e+00 -1.8390280000e+00 -1.1094040000e+00  1.3425510000e+00 -2.3502870000e+00 -2.2477330000e+00  1.2417940000e+00 -1.3573360000e+00
+ENERGY -1.526514968680e+02
+FORCES -5.0232000000e-03  1.6404000000e-03  3.6180000000e-04  1.9882000000e-03 -2.7263000000e-03 -2.5782000000e-03  1.0725000000e-03  3.7260000000e-03  9.4840000000e-04  4.1481000000e-03 -5.6864000000e-03  1.4378000000e-03 -4.0171000000e-03  1.4736000000e-03  5.7040000000e-04  1.8314000000e-03  1.5728000000e-03 -7.4020000000e-04
+
+JOB 66
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9281900000e-01  4.9301500000e-01 -6.5597100000e-01 -6.7996500000e-01 -4.5152100000e-01 -5.0000800000e-01  1.3544880000e+00 -1.5333620000e+00 -1.7740230000e+00  1.9344850000e+00 -2.2387790000e+00 -2.0607680000e+00  8.2774600000e-01 -1.9241940000e+00 -1.0768680000e+00
+ENERGY -1.526555321346e+02
+FORCES  4.6229000000e-03 -5.4320000000e-04 -1.0600000000e-02 -3.4944000000e-03  6.1250000000e-04  4.2528000000e-03  3.8953000000e-03 -2.0702000000e-03  2.9385000000e-03 -1.5998000000e-03 -4.7780000000e-04  6.5706000000e-03 -2.7289000000e-03  2.9870000000e-03  2.8690000000e-03 -6.9510000000e-04 -5.0830000000e-04 -6.0309000000e-03
+
+JOB 67
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9137000000e-01 -5.0314700000e-01 -4.3021200000e-01 -4.6216000000e-01 -6.4067300000e-01  5.4053500000e-01  1.5330740000e+00  1.8018340000e+00  1.6981950000e+00  1.7849340000e+00  1.2314880000e+00  2.4244890000e+00  1.0564870000e+00  1.2290320000e+00  1.0973660000e+00
+ENERGY -1.526605348538e+02
+FORCES -1.0848000000e-03 -5.0309000000e-03 -4.9440000000e-04 -3.0139000000e-03  3.2296000000e-03  4.0206000000e-03  3.5021000000e-03  3.0848000000e-03 -2.4603000000e-03 -5.9961000000e-03 -7.7261000000e-03 -4.4545000000e-03 -1.0718000000e-03  1.0989000000e-03 -2.5370000000e-03  7.6646000000e-03  5.3436000000e-03  5.9256000000e-03
+
+JOB 68
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9196000000e-01 -3.8044500000e-01 -6.4890400000e-01 -2.9099200000e-01 -7.4526300000e-01  5.2548900000e-01 -1.9049500000e+00  1.7325890000e+00  1.8943770000e+00 -1.2453780000e+00  1.1033130000e+00  2.1862830000e+00 -2.4315120000e+00  1.2500930000e+00  1.2570700000e+00
+ENERGY -1.526538756327e+02
+FORCES  2.6753000000e-03 -4.5437000000e-03 -2.0059000000e-03 -2.8784000000e-03  1.7298000000e-03  2.9341000000e-03  1.2860000000e-04  4.8125000000e-03 -8.8890000000e-04  3.4712000000e-03 -4.4065000000e-03 -4.8857000000e-03 -3.7992000000e-03  9.7800000000e-04  1.0049000000e-03  4.0250000000e-04  1.4299000000e-03  3.8415000000e-03
+
+JOB 69
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1212800000e-01 -7.8540100000e-01 -4.4939200000e-01  7.4773300000e-01  2.9097300000e-01  5.2198000000e-01  1.5874730000e+00  1.6367680000e+00 -1.4314170000e+00  2.0900250000e+00  1.4032170000e+00 -6.5095000000e-01  1.0241350000e+00  8.7925100000e-01 -1.5896920000e+00
+ENERGY -1.526472321233e+02
+FORCES  7.8452000000e-03  4.6011000000e-03 -7.2750000000e-04  1.1410000000e-04  7.6550000000e-03 -1.4803000000e-03  5.7200000000e-05 -4.4070000000e-04 -4.4671000000e-03 -1.0240200000e-02 -9.4697000000e-03  9.0724000000e-03 -2.5901000000e-03 -8.0490000000e-04  4.9450000000e-04  4.8137000000e-03 -1.5409000000e-03 -2.8920000000e-03
+
+JOB 70
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5166800000e-01  5.5456000000e-01  6.9643700000e-01  5.3869800000e-01 -6.4613100000e-01  4.5667400000e-01  1.5724860000e+00  1.7044380000e+00 -1.7121850000e+00  2.1686540000e+00  1.2151410000e+00 -2.2791100000e+00  1.1368670000e+00  1.0337440000e+00 -1.1862210000e+00
+ENERGY -1.526613842702e+02
+FORCES -7.6370000000e-04  7.7690000000e-04  5.1673000000e-03  2.2499000000e-03 -3.5567000000e-03 -3.1664000000e-03 -1.9473000000e-03  3.9578000000e-03 -2.9113000000e-03 -5.1776000000e-03 -7.8606000000e-03  4.1284000000e-03 -2.0235000000e-03  5.0750000000e-04  2.6043000000e-03  7.6622000000e-03  6.1751000000e-03 -5.8223000000e-03
+
+JOB 71
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9025000000e-01 -5.3857300000e-01 -6.2114800000e-01  6.4671300000e-01  6.1396800000e-01  3.4790400000e-01 -1.4850310000e+00  1.8108250000e+00 -1.6182850000e+00 -1.0444780000e+00  1.0616650000e+00 -1.2171570000e+00 -2.1373150000e+00  1.4218950000e+00 -2.2009440000e+00
+ENERGY -1.526607790696e+02
+FORCES  5.1727000000e-03  1.6612000000e-03  1.4295000000e-03 -4.0126000000e-03  4.2129000000e-03  1.7544000000e-03 -3.2172000000e-03 -3.7789000000e-03 -2.5940000000e-03  2.9826000000e-03 -8.4381000000e-03  6.0213000000e-03 -3.8374000000e-03  6.4585000000e-03 -8.7498000000e-03  2.9119000000e-03 -1.1560000000e-04  2.1387000000e-03
+
+JOB 72
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5202000000e-01 -6.6616700000e-01  4.0954500000e-01  5.9231400000e-01  2.8243200000e-01  6.9687100000e-01  1.5240680000e+00 -1.6655310000e+00 -1.7714870000e+00  9.7265000000e-01 -1.1318090000e+00 -1.1993770000e+00  9.0547300000e-01 -2.1896540000e+00 -2.2802770000e+00
+ENERGY -1.526608636719e+02
+FORCES  6.4280000000e-04  1.1290000000e-04  5.2453000000e-03  4.1506000000e-03  2.3325000000e-03 -3.6715000000e-03 -3.4221000000e-03 -2.2264000000e-03 -3.6488000000e-03 -7.7193000000e-03  6.8204000000e-03  4.5804000000e-03  5.2927000000e-03 -8.7823000000e-03 -5.0977000000e-03  1.0553000000e-03  1.7429000000e-03  2.5923000000e-03
+
+JOB 73
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3070200000e-01 -5.1664500000e-01  6.0635400000e-01  5.1328600000e-01  5.7887200000e-01  5.6362800000e-01 -1.8757050000e+00  1.7713030000e+00  1.6727780000e+00 -2.3287860000e+00  2.3165770000e+00  2.3159160000e+00 -1.3042910000e+00  1.2085370000e+00  2.1952830000e+00
+ENERGY -1.526512439467e+02
+FORCES -2.7583000000e-03  2.8741000000e-03  3.8324000000e-03  3.2474000000e-03  2.1179000000e-03 -7.5320000000e-04 -1.7941000000e-03 -3.5558000000e-03 -7.8620000000e-04  6.1500000000e-05  1.3020000000e-04  4.3437000000e-03  2.3158000000e-03 -2.5490000000e-03 -3.4788000000e-03 -1.0723000000e-03  9.8260000000e-04 -3.1579000000e-03
+
+JOB 74
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0188100000e-01 -4.3021500000e-01  6.9228800000e-01  5.8744500000e-01  5.9612900000e-01  4.6451100000e-01  1.6290260000e+00  1.5912330000e+00 -1.4532620000e+00  2.0407970000e+00  1.9784710000e+00 -2.2257410000e+00  9.3137900000e-01  1.0382310000e+00 -1.8049840000e+00
+ENERGY -1.526601893845e+02
+FORCES  3.3604000000e-03  3.0941000000e-03  2.7303000000e-03  2.7671000000e-03  2.3287000000e-03 -1.8598000000e-03 -5.0784000000e-03 -4.5100000000e-03 -1.6080000000e-04 -3.8119000000e-03 -3.5984000000e-03 -2.0826000000e-03 -2.4736000000e-03 -2.3095000000e-03  2.1868000000e-03  5.2364000000e-03  4.9950000000e-03 -8.1390000000e-04
+
+JOB 75
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9367600000e-01 -6.2947900000e-01 -6.5859100000e-01 -7.1935200000e-01  4.7026300000e-01 -4.2144700000e-01  1.4917080000e+00 -1.5279170000e+00 -1.8715540000e+00  2.1515390000e+00 -1.9636060000e+00 -1.3320820000e+00  1.9943810000e+00 -9.4912600000e-01 -2.4447490000e+00
+ENERGY -1.526613462545e+02
+FORCES  3.2578000000e-03 -5.6122000000e-03 -8.9989000000e-03 -5.5812000000e-03  4.9139000000e-03  7.8026000000e-03  2.8305000000e-03 -1.5306000000e-03  3.0700000000e-04  4.8324000000e-03  2.9579000000e-03  1.2342000000e-03 -3.3418000000e-03  2.6372000000e-03 -2.8716000000e-03 -1.9976000000e-03 -3.3663000000e-03  2.5267000000e-03
+
+JOB 76
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6672100000e-01  5.5792000000e-01  6.2219700000e-01 -6.8664800000e-01 -5.1872700000e-01 -4.1912900000e-01  1.7124710000e+00 -1.6425480000e+00  1.8172910000e+00  1.2275480000e+00 -9.6665600000e-01  1.3437390000e+00  2.3712090000e+00 -1.1599270000e+00  2.3166630000e+00
+ENERGY -1.526606993684e+02
+FORCES -6.3013000000e-03 -8.3010000000e-04 -2.1515000000e-03  3.7406000000e-03 -3.8542000000e-03 -1.8621000000e-03  2.6720000000e-03  3.5419000000e-03  2.1069000000e-03 -2.2005000000e-03  5.9868000000e-03 -5.0465000000e-03  5.0066000000e-03 -4.1343000000e-03  8.8227000000e-03 -2.9174000000e-03 -7.1010000000e-04 -1.8695000000e-03
+
+JOB 77
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2905200000e-01  3.6777100000e-01 -7.0787000000e-01 -5.5601300000e-01 -6.7483200000e-01  3.8946600000e-01 -3.3270110000e+00  1.5832900000e-01 -4.2034000000e-02 -3.8086290000e+00  7.2997900000e-01 -6.3994200000e-01 -4.0005360000e+00 -3.8982400000e-01  3.6061200000e-01
+ENERGY -1.526569860361e+02
+FORCES -8.4857000000e-03 -7.2720000000e-04 -7.5780000000e-04  4.3655000000e-03 -3.5580000000e-04  8.0440000000e-04  4.4615000000e-03  6.8470000000e-04 -4.7620000000e-04 -5.8640000000e-03  7.5560000000e-04 -1.4700000000e-04  2.4127000000e-03 -2.6402000000e-03  2.3490000000e-03  3.1100000000e-03  2.2829000000e-03 -1.7725000000e-03
+
+JOB 78
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0143600000e-01 -7.0045400000e-01  6.2050000000e-01  8.5490500000e-01  3.0175500000e-01 -3.0710500000e-01  1.5278370000e+00  1.8621390000e+00  1.7881520000e+00  1.0081170000e+00  1.3457190000e+00  2.4041330000e+00  2.1650610000e+00  2.3197870000e+00  2.3365470000e+00
+ENERGY -1.526554259323e+02
+FORCES  7.1256000000e-03  1.7114000000e-03  1.7349000000e-03 -1.4787000000e-03  2.9777000000e-03 -1.0191000000e-03 -4.1622000000e-03 -3.6813000000e-03 -1.2494000000e-03 -2.4617000000e-03 -1.1700000000e-04  4.7149000000e-03  3.9841000000e-03  1.5255000000e-03 -1.4099000000e-03 -3.0071000000e-03 -2.4163000000e-03 -2.7714000000e-03
+
+JOB 79
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6772200000e-01  5.4683800000e-01 -6.3121800000e-01 -5.9267000000e-01 -5.2924800000e-01 -5.3373300000e-01  1.6607480000e+00  1.7323390000e+00 -1.5360250000e+00  2.2170450000e+00  1.2838270000e+00 -2.1728950000e+00  1.0883310000e+00  2.2870570000e+00 -2.0659860000e+00
+ENERGY -1.526604273909e+02
+FORCES  5.8169000000e-03  5.6602000000e-03 -6.8524000000e-03 -8.4657000000e-03 -6.8473000000e-03  4.1123000000e-03  2.5752000000e-03  2.5124000000e-03  5.1960000000e-04  1.9483000000e-03  1.1884000000e-03 -3.5043000000e-03 -4.0023000000e-03  2.2722000000e-03  2.8804000000e-03  2.1275000000e-03 -4.7859000000e-03  2.8444000000e-03
+
+JOB 80
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7633700000e-01  3.6759600000e-01  6.7003100000e-01  3.6350600000e-01  7.6326400000e-01 -4.4891400000e-01 -1.5718060000e+00 -1.4476010000e+00  1.8201720000e+00 -1.0124410000e+00 -1.8392280000e+00  1.1493730000e+00 -2.0585200000e+00 -7.6498900000e-01  1.3582390000e+00
+ENERGY -1.526548860847e+02
+FORCES -2.3020000000e-04  2.4840000000e-03  3.7701000000e-03 -2.0536000000e-03 -2.1212000000e-03 -5.1173000000e-03 -2.3966000000e-03 -2.8436000000e-03  3.1591000000e-03  3.2616000000e-03 -1.7610000000e-04 -8.9396000000e-03 -3.5961000000e-03  4.5250000000e-04  4.6269000000e-03  5.0149000000e-03  2.2044000000e-03  2.5009000000e-03
+
+JOB 81
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5591300000e-01  5.5195500000e-01 -6.3539000000e-01 -6.7115400000e-01 -6.0334900000e-01  3.1898900000e-01  1.6830680000e+00 -1.7470600000e+00  1.6610700000e+00  1.0969360000e+00 -1.1825670000e+00  2.1650830000e+00  1.0976900000e+00 -2.2954310000e+00  1.1387160000e+00
+ENERGY -1.526513758472e+02
+FORCES -3.7305000000e-03 -2.5150000000e-04 -1.6035000000e-03  2.7436000000e-03 -2.8369000000e-03  3.0047000000e-03  4.3277000000e-03  1.3762000000e-03  2.0230000000e-04 -5.4243000000e-03  4.6935000000e-03 -4.1783000000e-03  1.2586000000e-03 -4.0429000000e-03 -3.8820000000e-04  8.2490000000e-04  1.0617000000e-03  2.9630000000e-03
+
+JOB 82
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6533000000e-01  6.0887400000e-01 -4.7529600000e-01 -5.7525700000e-01 -4.0446600000e-01  6.4939900000e-01 -1.7374700000e+00  1.7346670000e+00  1.8560770000e+00 -1.2740890000e+00  1.3649950000e+00  2.6076430000e+00 -2.2948610000e+00  1.0220110000e+00  1.5435560000e+00
+ENERGY -1.526518163929e+02
+FORCES -5.9395000000e-03  5.8179000000e-03  3.0473000000e-03  1.7477000000e-03 -4.3227000000e-03 -7.0900000000e-05  7.4750000000e-04  2.1330000000e-04 -1.2649000000e-03  2.1017000000e-03 -4.1227000000e-03  2.1902000000e-03 -2.9416000000e-03  8.1320000000e-04 -3.3455000000e-03  4.2841000000e-03  1.6010000000e-03 -5.5620000000e-04
+
+JOB 83
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9261700000e-01  6.2350800000e-01  2.1852100000e-01  5.7442700000e-01  4.7901900000e-01 -5.9733300000e-01 -1.9193230000e+00 -1.3416570000e+00  1.7663110000e+00 -1.2406150000e+00 -1.6195080000e+00  1.1511810000e+00 -2.3192440000e+00 -2.1576440000e+00  2.0670760000e+00
+ENERGY -1.526600065697e+02
+FORCES -9.4020000000e-04  5.1533000000e-03 -5.8850000000e-04  4.4885000000e-03 -2.4177000000e-03 -2.7079000000e-03 -2.7547000000e-03 -1.1081000000e-03  2.5827000000e-03  3.3405000000e-03 -3.4326000000e-03 -2.3538000000e-03 -6.2719000000e-03 -8.3280000000e-04  4.6015000000e-03  2.1379000000e-03  2.6380000000e-03 -1.5340000000e-03
+
+JOB 84
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+ENERGY -1.526551402603e+02
+FORCES  4.8536000000e-03 -5.3778000000e-03  8.6009000000e-03 -3.2284000000e-03  3.8288000000e-03 -3.6619000000e-03  3.9190000000e-04 -1.4645000000e-03 -2.0618000000e-03  3.8607000000e-03  1.5440000000e-03 -2.0185000000e-03 -2.3663000000e-03  2.6725000000e-03 -3.3885000000e-03 -3.5116000000e-03 -1.2031000000e-03  2.5297000000e-03
+
+JOB 85
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+ENERGY -1.526602627767e+02
+FORCES -8.5492000000e-03  5.6798000000e-03  4.3743000000e-03  6.8282000000e-03 -4.8214000000e-03 -3.9612000000e-03  2.4115000000e-03  4.4290000000e-04  4.0330000000e-04 -2.2028000000e-03 -9.9910000000e-04  4.8116000000e-03  3.5560000000e-03  2.2869000000e-03 -1.7337000000e-03 -2.0437000000e-03 -2.5890000000e-03 -3.8942000000e-03
+
+JOB 86
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1863300000e-01  4.5489400000e-01 -5.7148700000e-01  4.5200700000e-01  7.0053900000e-01  4.7028400000e-01 -1.6264620000e+00 -1.5922170000e+00 -1.7706190000e+00 -1.0970830000e+00 -2.2633820000e+00 -1.3398910000e+00 -2.1799550000e+00 -2.0786190000e+00 -2.3815940000e+00
+ENERGY -1.526580575256e+02
+FORCES -2.9779000000e-03  3.4505000000e-03 -2.7157000000e-03  4.5426000000e-03  1.2740000000e-03  4.6107000000e-03 -2.1935000000e-03 -2.6081000000e-03 -2.2812000000e-03  2.0381000000e-03 -4.9687000000e-03  1.3822000000e-03 -3.9206000000e-03  9.6150000000e-04 -3.6977000000e-03  2.5114000000e-03  1.8907000000e-03  2.7017000000e-03
+
+JOB 87
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+ENERGY -1.526593150292e+02
+FORCES -3.3479000000e-03  6.3500000000e-03 -5.7956000000e-03 -2.7185000000e-03  2.4192000000e-03  8.0130000000e-04  5.1225000000e-03 -9.6942000000e-03  2.7829000000e-03 -1.9972000000e-03  2.0039000000e-03 -5.2478000000e-03 -2.5025000000e-03 -3.4031000000e-03  3.9570000000e-03  5.4436000000e-03  2.3242000000e-03  3.5022000000e-03
+
+JOB 88
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+ENERGY -1.526591316988e+02
+FORCES  5.4771000000e-03 -2.2652000000e-03 -2.8002000000e-03 -3.2925000000e-03  4.1234000000e-03 -1.7327000000e-03 -3.3286000000e-03 -2.1931000000e-03  3.0211000000e-03  3.2689000000e-03 -3.3830000000e-03 -8.4479000000e-03 -2.6194000000e-03  4.2250000000e-03  7.0241000000e-03  4.9450000000e-04 -5.0720000000e-04  2.9357000000e-03
+
+JOB 89
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+ENERGY -1.526537478152e+02
+FORCES -4.1680000000e-03  1.6682000000e-03 -2.7344000000e-03 -1.7999000000e-03 -2.0630000000e-03  3.3329000000e-03  5.5947000000e-03 -1.3893000000e-03  6.4510000000e-04  2.9226000000e-03 -3.9667000000e-03  1.6404000000e-03 -4.9187000000e-03  2.9093000000e-03 -6.4660000000e-04  2.3694000000e-03  2.8415000000e-03 -2.2374000000e-03
+
+JOB 90
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+ENERGY -1.526551011122e+02
+FORCES -3.3670000000e-04 -3.9903000000e-03 -3.4770000000e-03  2.6607000000e-03 -2.3484000000e-03  3.1141000000e-03 -9.2280000000e-04  4.8222000000e-03  1.0270000000e-04 -1.8543000000e-03  8.1379000000e-03 -2.9990000000e-04  2.7493000000e-03 -3.7459000000e-03 -3.4460000000e-04 -2.2961000000e-03 -2.8755000000e-03  9.0470000000e-04
+
+JOB 91
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+ENERGY -1.526505576300e+02
+FORCES -6.7900000000e-04 -1.0272000000e-03  3.6106000000e-03  2.7997000000e-03 -2.4907000000e-03 -3.3946000000e-03 -2.6220000000e-04  1.8056000000e-03 -3.5398000000e-03 -3.1265000000e-03  2.9548000000e-03  5.6987000000e-03  2.7725000000e-03  1.9584000000e-03 -9.1570000000e-04 -1.5045000000e-03 -3.2009000000e-03 -1.4591000000e-03
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+JOB 92
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+ENERGY -1.526483585760e+02
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+
+JOB 93
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9770500000e-01  4.8634000000e-01  6.5726400000e-01  7.2830300000e-01 -3.8535900000e-01  4.8714000000e-01 -1.6310930000e+00 -1.4792990000e+00  1.8231110000e+00 -1.1156480000e+00 -2.0802200000e+00  1.2851120000e+00 -2.0878740000e+00 -9.2352500000e-01  1.1916850000e+00
+ENERGY -1.526545584223e+02
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+
+JOB 94
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7064900000e-01  4.6817200000e-01 -3.2116500000e-01 -3.0595300000e-01 -4.5675400000e-01  7.8358200000e-01 -1.6503190000e+00 -1.4715310000e+00  1.8217550000e+00 -2.1982520000e+00 -9.8170100000e-01  2.4349980000e+00 -1.1968770000e+00 -2.1150250000e+00  2.3663070000e+00
+ENERGY -1.526598314340e+02
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+
+JOB 95
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5645800000e-01 -6.2242800000e-01 -3.1285500000e-01 -6.5644200000e-01 -5.4277200000e-01  4.3670800000e-01 -5.4770000000e-02 -2.3701900000e-01  3.2269840000e+00 -6.3771500000e-01  2.3962300000e-01  2.6360370000e+00  4.5606000000e-01  4.4547700000e-01  3.6622800000e+00
+ENERGY -1.526549043628e+02
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+
+JOB 96
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1383200000e-01 -7.2357700000e-01  5.4238200000e-01  5.2634700000e-01  5.3471200000e-01  5.9436800000e-01  1.7571990000e+00 -1.4791640000e+00  1.9128340000e+00  1.2381420000e+00 -1.8962470000e+00  1.2251900000e+00  2.4135180000e+00 -9.6676100000e-01  1.4406900000e+00
+ENERGY -1.526540454607e+02
+FORCES  1.6352000000e-03 -3.0960000000e-04  9.5975000000e-03  2.9867000000e-03 -1.4563000000e-03 -3.7803000000e-03 -5.7270000000e-04 -9.4050000000e-04 -4.4622000000e-03  1.3006000000e-03  8.2640000000e-04 -8.6276000000e-03 -2.3647000000e-03  2.5279000000e-03  3.9645000000e-03 -2.9852000000e-03 -6.4790000000e-04  3.3081000000e-03
+
+JOB 97
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5829200000e-01  5.6926300000e-01  6.1817500000e-01  5.7870000000e-01 -5.3139300000e-01  5.4677200000e-01  1.6522400000e+00 -1.5534760000e+00  1.5774910000e+00  9.7542300000e-01 -2.0695660000e+00  2.0154420000e+00  2.2100290000e+00 -1.2369010000e+00  2.2880420000e+00
+ENERGY -1.526598921962e+02
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+
+JOB 98
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3192500000e-01 -7.5718900000e-01  4.8241400000e-01  7.9731000000e-01  2.5101100000e-01  4.6639300000e-01  1.5999890000e+00 -1.8303830000e+00 -1.5423660000e+00  1.3486600000e+00 -1.2507680000e+00 -8.2326100000e-01  1.9965410000e+00 -2.5881180000e+00 -1.1124650000e+00
+ENERGY -1.526544017702e+02
+FORCES -2.0484000000e-03 -6.8650000000e-04  3.5474000000e-03  4.4727000000e-03  3.0956000000e-03 -3.4020000000e-03 -2.1917000000e-03 -5.6967000000e-03 -5.6994000000e-03 -4.3151000000e-03  4.8554000000e-03  4.6903000000e-03  6.8804000000e-03 -5.4427000000e-03  8.9130000000e-04 -2.7979000000e-03  3.8750000000e-03 -2.7600000000e-05
+
+JOB 99
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5590700000e-01  6.7660400000e-01  3.8653200000e-01 -5.7150000000e-01 -4.5621200000e-01 -6.1764900000e-01  1.6851340000e+00 -1.8125640000e+00 -1.5088780000e+00  2.3381830000e+00 -2.1588000000e+00 -2.1170560000e+00  1.3608100000e+00 -1.0175750000e+00 -1.9320080000e+00
+ENERGY -1.526538086703e+02
+FORCES -4.7321000000e-03 -1.3449000000e-03  4.8640000000e-04  2.8047000000e-03 -3.2771000000e-03 -1.5442000000e-03  3.4771000000e-03  4.0538000000e-03  7.3180000000e-04  1.7100000000e-03  4.1936000000e-03 -2.1442000000e-03 -2.5629000000e-03  1.8565000000e-03  3.0078000000e-03 -6.9680000000e-04 -5.4818000000e-03 -5.3770000000e-04
+
+JOB 100
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+ENERGY -1.526493060017e+02
+FORCES -3.1125000000e-03  5.2000000000e-04  1.9672000000e-03  1.9115000000e-03 -4.6570000000e-04 -2.0403000000e-03 -2.2803000000e-03 -3.0425000000e-03 -3.4152000000e-03  3.6812000000e-03  2.2892000000e-03  4.7163000000e-03  3.0939000000e-03 -2.0111000000e-03 -6.4370000000e-04 -3.2938000000e-03  2.7102000000e-03 -5.8430000000e-04
+
+JOB 101
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5571400000e-01 -6.1878400000e-01  6.3781300000e-01 -6.2395600000e-01 -5.1486900000e-01 -5.1168400000e-01  1.4511660000e+00 -1.6677970000e+00  1.7803850000e+00  2.0718660000e+00 -2.3396280000e+00  1.4982380000e+00  1.9825010000e+00 -1.0413520000e+00  2.2717940000e+00
+ENERGY -1.526615332226e+02
+FORCES  3.6219000000e-03 -8.8435000000e-03  5.8266000000e-03 -5.3726000000e-03  7.5444000000e-03 -5.1551000000e-03  2.3691000000e-03  7.8060000000e-04  1.6242000000e-03  4.3062000000e-03  8.0820000000e-04 -1.5784000000e-03 -2.3344000000e-03  3.1945000000e-03  2.3200000000e-03 -2.5902000000e-03 -3.4842000000e-03 -3.0374000000e-03
+
+JOB 102
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6077700000e-01  4.7819700000e-01 -3.2981400000e-01  5.1782000000e-01  6.6068800000e-01  4.5998500000e-01 -3.3690150000e+00 -1.1627500000e-01 -8.4050000000e-02 -2.8168250000e+00 -6.4754100000e-01 -6.5770100000e-01 -2.7788160000e+00  1.8256800000e-01  6.0775100000e-01
+ENERGY -1.526550938158e+02
+FORCES  1.1660000000e-03  5.5293000000e-03 -3.6860000000e-04  1.6929000000e-03 -4.2965000000e-03  3.1815000000e-03 -2.7852000000e-03 -2.9258000000e-03 -1.8125000000e-03  3.7175000000e-03 -4.3920000000e-03  2.3065000000e-03 -1.9396000000e-03  4.7977000000e-03  1.6667000000e-03 -1.8516000000e-03  1.2872000000e-03 -4.9737000000e-03
+
+JOB 103
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+ENERGY -1.526568341592e+02
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+
+JOB 104
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+ENERGY -1.526613355051e+02
+FORCES  7.2788000000e-03 -5.9645000000e-03  1.0197900000e-02  8.0810000000e-04 -2.7084000000e-03 -7.9310000000e-04 -5.0535000000e-03  5.1863000000e-03 -8.4107000000e-03 -1.6298000000e-03 -3.1743000000e-03 -2.2004000000e-03 -4.1863000000e-03  3.0421000000e-03  3.8028000000e-03  2.7828000000e-03  3.6188000000e-03 -2.5965000000e-03
+
+JOB 105
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+ENERGY -1.526613352153e+02
+FORCES -3.4431000000e-03  9.5272000000e-03  7.1217000000e-03  3.1838000000e-03 -7.6887000000e-03 -7.1566000000e-03 -2.3326000000e-03 -1.4901000000e-03  7.5170000000e-04 -4.7167000000e-03 -4.7870000000e-04  1.0740000000e-03  4.7325000000e-03 -2.5423000000e-03  2.7731000000e-03  2.5760000000e-03  2.6726000000e-03 -4.5639000000e-03
+
+JOB 106
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+ENERGY -1.526549531363e+02
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+
+JOB 107
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+ENERGY -1.526574849633e+02
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+
+JOB 108
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+ENERGY -1.526488556351e+02
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+
+JOB 109
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+ENERGY -1.526505762704e+02
+FORCES -2.3226000000e-03 -1.2819000000e-03  3.5234000000e-03  2.6710000000e-03  3.9458000000e-03 -2.1840000000e-04 -5.0799000000e-03  1.0362000000e-03 -1.2657000000e-03  7.9971000000e-03 -4.2290000000e-03 -6.9253000000e-03 -9.9850000000e-04  7.2380000000e-04  1.5023000000e-03 -2.2670000000e-03 -1.9490000000e-04  3.3837000000e-03
+
+JOB 110
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+ENERGY -1.526577975813e+02
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+
+JOB 111
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+ENERGY -1.526591174697e+02
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+
+JOB 112
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+ENERGY -1.526602084000e+02
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+
+JOB 113
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+ENERGY -1.526546797176e+02
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+
+JOB 114
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6491300000e-01 -6.3475400000e-01  2.6685200000e-01  4.6293500000e-01  2.1714800000e-01  8.0917800000e-01  1.4022360000e+00  1.4225770000e+00  2.1241350000e+00  2.1623640000e+00  1.1017760000e+00  2.6094430000e+00  1.7538750000e+00  2.1025860000e+00  1.5495320000e+00
+ENERGY -1.526617042436e+02
+FORCES  2.0682000000e-03  2.2389000000e-03  8.4782000000e-03  2.5743000000e-03  1.9610000000e-03 -5.2900000000e-05 -4.2545000000e-03 -5.1671000000e-03 -8.4750000000e-03  4.3966000000e-03  3.6236000000e-03 -5.7520000000e-04 -3.6797000000e-03  1.4531000000e-03 -2.7716000000e-03 -1.1048000000e-03 -4.1095000000e-03  3.3966000000e-03
+
+JOB 115
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6168700000e-01 -4.4157000000e-01 -5.3237100000e-01 -4.7392500000e-01 -7.1068300000e-01  4.3192200000e-01  1.7022810000e+00  1.7076230000e+00  1.6723990000e+00  2.2849140000e+00  1.2860890000e+00  2.3041260000e+00  1.1951810000e+00  9.8812600000e-01  1.2963590000e+00
+ENERGY -1.526600823730e+02
+FORCES -1.6053000000e-03 -4.4239000000e-03 -3.5725000000e-03 -2.8468000000e-03  2.2367000000e-03  4.5855000000e-03  3.6891000000e-03  3.6995000000e-03 -1.5274000000e-03 -4.8758000000e-03 -6.0231000000e-03 -3.2211000000e-03 -2.5674000000e-03  2.3040000000e-04 -2.8098000000e-03  8.2062000000e-03  4.2804000000e-03  6.5454000000e-03
+
+JOB 116
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1578700000e-01  5.3185100000e-01 -6.0607800000e-01 -5.5763100000e-01 -5.3490900000e-01 -5.6493600000e-01  1.8200880000e+00  1.9121050000e+00 -1.6418730000e+00  1.2931950000e+00  2.5360870000e+00 -2.1411340000e+00  2.1747870000e+00  2.4246880000e+00 -9.1545800000e-01
+ENERGY -1.526612882835e+02
+FORCES  3.3517000000e-03  2.1393000000e-03 -6.6878000000e-03 -6.6643000000e-03 -5.2656000000e-03  6.2709000000e-03  1.7289000000e-03  2.1873000000e-03  1.5194000000e-03  1.9099000000e-03  7.0059000000e-03 -6.9500000000e-05  2.1557000000e-03 -3.4143000000e-03  2.7572000000e-03 -2.4819000000e-03 -2.6525000000e-03 -3.7901000000e-03
+
+JOB 117
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9912600000e-01 -3.6980700000e-01  3.7532900000e-01  3.5727900000e-01  5.5372800000e-01  6.9424000000e-01  1.7186570000e+00  1.9208670000e+00  1.7133520000e+00  1.1505920000e+00  2.6101800000e+00  2.0574160000e+00  2.1363950000e+00  1.5450760000e+00  2.4882770000e+00
+ENERGY -1.526598695488e+02
+FORCES  2.1681000000e-03  3.4576000000e-03  5.2000000000e-03  3.0603000000e-03  1.8668000000e-03 -5.6780000000e-04 -7.3328000000e-03 -6.1745000000e-03 -4.5334000000e-03  3.0722000000e-03  3.6570000000e-03  5.1849000000e-03  1.9006000000e-03 -4.7148000000e-03 -1.6609000000e-03 -2.8684000000e-03  1.9079000000e-03 -3.6228000000e-03
+
+JOB 118
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4326400000e-01  5.4985500000e-01 -4.4732800000e-01  4.5803300000e-01  5.9830700000e-01  5.9031000000e-01 -7.0098000000e-02 -3.1153240000e+00 -1.6637700000e-01 -4.8175100000e-01 -2.3506790000e+00 -5.6898300000e-01 -8.0311200000e-01 -3.6717610000e+00  9.6874000000e-02
+ENERGY -1.526560543112e+02
+FORCES  1.9011000000e-03  5.0656000000e-03  2.9525000000e-03  2.2842000000e-03 -3.9657000000e-03  1.6659000000e-03 -2.5191000000e-03 -1.4759000000e-03 -2.9082000000e-03 -3.4824000000e-03  4.7825000000e-03  1.7400000000e-04 -7.8960000000e-04 -6.8219000000e-03 -1.0074000000e-03  2.6058000000e-03  2.4155000000e-03 -8.7680000000e-04
+
+JOB 119
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5324000000e-01 -5.3691600000e-01  6.5002000000e-01 -5.4744900000e-01 -6.1905400000e-01 -4.8301600000e-01  1.5579130000e+00 -1.7748010000e+00 -1.5504700000e+00  2.3906470000e+00 -1.9311420000e+00 -1.9958280000e+00  1.1698230000e+00 -1.0362010000e+00 -2.0196050000e+00
+ENERGY -1.526557951663e+02
+FORCES  4.4602000000e-03 -9.9391000000e-03  1.4860000000e-04 -3.2215000000e-03  3.7078000000e-03  2.1700000000e-05  1.9950000000e-03  3.9375000000e-03 -7.4000000000e-04  7.2300000000e-05  6.1901000000e-03 -1.5032000000e-03 -3.2935000000e-03  1.7432000000e-03  2.4014000000e-03 -1.2500000000e-05 -5.6396000000e-03 -3.2840000000e-04
+
+JOB 120
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3892300000e-01  5.3742200000e-01  2.8531200000e-01 -3.8101300000e-01 -6.2254300000e-01 -6.1927500000e-01  1.6200820000e+00  1.8349110000e+00 -1.9162080000e+00  8.3322500000e-01  1.4403790000e+00 -1.5401330000e+00  2.0677550000e+00  2.2349540000e+00 -1.1706980000e+00
+ENERGY -1.526583187279e+02
+FORCES -4.5673000000e-03 -4.1839000000e-03  1.2651000000e-03  4.7010000000e-03 -1.3340000000e-03 -3.0206000000e-03  1.8102000000e-03  4.5552000000e-03  2.4504000000e-03 -2.2979000000e-03 -3.9935000000e-03  8.5995000000e-03  1.4461000000e-03  5.0256000000e-03 -6.2080000000e-03 -1.0922000000e-03 -6.9300000000e-05 -3.0863000000e-03
+
+JOB 121
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4877400000e-01 -5.9077700000e-01  5.1581100000e-01  6.1749200000e-01  4.8254700000e-01 -5.4962200000e-01 -1.7351480000e+00 -1.7577680000e+00  1.5840660000e+00 -2.4154040000e+00 -2.1073460000e+00  2.1596340000e+00 -1.1104110000e+00 -1.3401520000e+00  2.1769670000e+00
+ENERGY -1.526516854137e+02
+FORCES  3.9866000000e-03 -2.4617000000e-03 -6.9930000000e-04 -2.2841000000e-03  3.7751000000e-03  1.7030000000e-04 -3.3564000000e-03 -2.2433000000e-03  2.1617000000e-03 -5.5510000000e-04  2.5004000000e-03  4.1408000000e-03  2.6553000000e-03  1.8257000000e-03 -2.9854000000e-03 -4.4640000000e-04 -3.3963000000e-03 -2.7880000000e-03
+
+JOB 122
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3512100000e-01 -2.1458500000e-01 -6.8323200000e-01 -5.5937700000e-01 -7.7446300000e-01  5.9469000000e-02  1.9921300000e-01 -3.0792500000e-01  3.1290520000e+00 -1.4984500000e-01 -8.6718300000e-01  3.8230420000e+00  7.7220500000e-01  3.0944900000e-01  3.5837610000e+00
+ENERGY -1.526522732781e+02
+FORCES -5.4000000000e-05 -5.2436000000e-03  5.3990000000e-04 -2.2127000000e-03  1.1965000000e-03  3.0236000000e-03  1.5733000000e-03  2.9246000000e-03 -2.1093000000e-03  1.9610000000e-03  2.1447000000e-03  3.8920000000e-03  1.0843000000e-03  1.9281000000e-03 -4.0238000000e-03 -2.3519000000e-03 -2.9504000000e-03 -1.3225000000e-03
+
+JOB 123
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9943300000e-01  2.6927300000e-01 -6.9599100000e-01  6.5894000000e-01 -5.3377300000e-01 -4.4397800000e-01  1.7763920000e+00 -1.5258630000e+00  1.3272050000e+00  1.1249250000e+00 -1.0556880000e+00  1.8475470000e+00  2.3531110000e+00 -1.9316700000e+00  1.9744670000e+00
+ENERGY -1.526599336386e+02
+FORCES  3.9100000000e-03 -3.6515000000e-03 -2.4299000000e-03  3.1092000000e-03 -1.7813000000e-03  1.9820000000e-03 -5.6176000000e-03  4.3588000000e-03 -5.6450000000e-04 -3.7257000000e-03  3.0777000000e-03  2.8091000000e-03  5.4154000000e-03 -4.1384000000e-03 -6.8600000000e-05 -3.0913000000e-03  2.1348000000e-03 -1.7281000000e-03
+
+JOB 124
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6744700000e-01  6.2641200000e-01  2.7991600000e-01 -3.7690100000e-01 -4.2372500000e-01 -7.7112600000e-01  1.6005600000e+00 -1.5429310000e+00  1.6149040000e+00  2.1723550000e+00 -2.2150890000e+00  1.2441150000e+00  1.2006970000e+00 -1.1216300000e+00  8.5408400000e-01
+ENERGY -1.526593744820e+02
+FORCES -2.2110000000e-03 -2.0650000000e-04  4.3929000000e-03  1.9120000000e-03 -2.7374000000e-03 -3.5293000000e-03  2.5085000000e-03  1.4039000000e-03  4.2096000000e-03 -5.5803000000e-03  6.3101000000e-03 -6.8606000000e-03 -3.0649000000e-03  2.7216000000e-03 -6.7900000000e-04  6.4356000000e-03 -7.4918000000e-03  2.4665000000e-03
+
+JOB 125
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2580300000e-01 -5.1076500000e-01 -6.1553400000e-01 -6.0253100000e-01  4.9667100000e-01 -5.5363100000e-01  1.6319010000e+00 -1.8114740000e+00  1.5050170000e+00  1.1155060000e+00 -1.1820640000e+00  2.0084170000e+00  2.1898700000e+00 -1.2712000000e+00  9.4554700000e-01
+ENERGY -1.526557044274e+02
+FORCES  1.1880000000e-04 -3.2046000000e-03 -4.0379000000e-03 -4.1620000000e-04  4.4861000000e-03  2.0045000000e-03  2.7330000000e-03 -2.9758000000e-03  2.4485000000e-03 -4.1495000000e-03  8.8646000000e-03 -6.8880000000e-04  3.7460000000e-03 -4.0262000000e-03  8.8860000000e-04 -2.0321000000e-03 -3.1440000000e-03 -6.1500000000e-04
+
+JOB 126
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7803600000e-01  6.0092400000e-01 -5.7149300000e-01  4.3270200000e-01  5.6810800000e-01  6.3738100000e-01  1.7725990000e+00 -1.6627280000e+00  1.7751270000e+00  1.2496620000e+00 -9.8135900000e-01  2.1976270000e+00  1.1474420000e+00 -2.1430390000e+00  1.2322530000e+00
+ENERGY -1.526550831223e+02
+FORCES  1.5473000000e-03  5.0632000000e-03 -4.7560000000e-04  2.6422000000e-03 -2.6248000000e-03  2.5796000000e-03 -3.3559000000e-03 -3.0841000000e-03 -4.6040000000e-04 -7.4720000000e-03  8.1860000000e-04 -3.9860000000e-03  2.8627000000e-03  3.2810000000e-04 -1.5547000000e-03  3.7757000000e-03 -5.0100000000e-04  3.8972000000e-03
+
+JOB 127
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2514200000e-01  2.1686700000e-01 -4.3398300000e-01 -2.2876700000e-01 -6.9527100000e-01  6.1684400000e-01 -2.2148990000e+00  1.4533850000e+00  1.9190730000e+00 -1.5707260000e+00  9.4874700000e-01  2.4156750000e+00 -1.7011510000e+00  2.1291840000e+00  1.4768180000e+00
+ENERGY -1.526564223354e+02
+FORCES -6.6467000000e-03 -2.5784000000e-03  4.2720000000e-04  4.7076000000e-03 -3.0240000000e-04  7.6110000000e-04  1.7830000000e-03  3.1425000000e-03 -1.2733000000e-03  7.3589000000e-03  1.4186000000e-03  2.0580000000e-04 -3.5378000000e-03  5.4360000000e-04 -1.4639000000e-03 -3.6650000000e-03 -2.2239000000e-03  1.3431000000e-03
+
+JOB 128
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5316000000e-01  6.7805400000e-01  5.7597900000e-01  2.2762300000e-01  4.6410900000e-01 -8.0561900000e-01  1.5919350000e+00  1.8394760000e+00  1.3563250000e+00  2.0879650000e+00  1.1427440000e+00  9.2649800000e-01  2.2454440000e+00  2.3222420000e+00  1.8623830000e+00
+ENERGY -1.526583119819e+02
+FORCES  1.7000000000e-06  9.2275000000e-03  2.7073000000e-03 -1.2164000000e-03 -4.6722000000e-03 -3.5373000000e-03  8.3730000000e-04 -2.6317000000e-03  2.8932000000e-03  2.5174000000e-03 -4.6758000000e-03 -1.1571000000e-03  3.1400000000e-04  5.9050000000e-03  1.7172000000e-03 -2.4540000000e-03 -3.1529000000e-03 -2.6233000000e-03
+
+JOB 129
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1736400000e-01 -4.1261600000e-01  6.0402100000e-01  5.2564300000e-01  5.7872300000e-01  5.5227900000e-01  1.5127860000e+00  1.5525640000e+00  1.6340680000e+00  8.2844400000e-01  2.0526390000e+00  2.0788520000e+00  2.0536420000e+00  2.2153340000e+00  1.2046000000e+00
+ENERGY -1.526595173537e+02
+FORCES  9.3671000000e-03  7.0934000000e-03  1.0998800000e-02  1.8934000000e-03  2.5146000000e-03 -7.0210000000e-04 -8.3853000000e-03 -3.7974000000e-03 -5.6552000000e-03 -1.7568000000e-03  1.4800000000e-03 -3.1476000000e-03  2.6675000000e-03 -4.0878000000e-03 -4.0774000000e-03 -3.7860000000e-03 -3.2028000000e-03  2.5836000000e-03
+
+JOB 130
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8863500000e-01 -1.5498700000e-01  8.0836000000e-01  4.3637000000e-02 -8.3261600000e-01 -4.7018900000e-01  1.6303330000e+00  1.6774860000e+00 -1.4113230000e+00  1.0969070000e+00  2.0986420000e+00 -2.0853530000e+00  1.1614070000e+00  8.6903900000e-01 -1.2045500000e+00
+ENERGY -1.526569070197e+02
+FORCES  3.3194000000e-03  1.2007000000e-03  3.6912000000e-03 -2.6152000000e-03 -2.4250000000e-04 -4.9325000000e-03  2.6994000000e-03  7.3666000000e-03 -1.2700000000e-04 -1.1434600000e-02 -6.7371000000e-03  6.2464000000e-03  1.2607000000e-03 -2.0586000000e-03  2.0058000000e-03  6.7703000000e-03  4.7090000000e-04 -6.8839000000e-03
+
+JOB 131
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0934000000e-01  1.9174300000e-01 -7.8742600000e-01 -7.9835600000e-01 -4.1553700000e-01 -3.2586600000e-01  1.6143800000e+00 -1.7952290000e+00  1.3193250000e+00  2.4440670000e+00 -1.8417630000e+00  8.4426100000e-01  1.1082580000e+00 -1.1294290000e+00  8.5372600000e-01
+ENERGY -1.526596180179e+02
+FORCES -1.0094000000e-03 -3.5508000000e-03 -2.0842000000e-03 -1.3405000000e-03 -3.1258000000e-03  5.2245000000e-03  4.7498000000e-03  2.6040000000e-03  8.8410000000e-04 -7.3330000000e-03  9.9462000000e-03 -6.8358000000e-03 -3.3433000000e-03  1.3969000000e-03  3.0900000000e-05  8.2764000000e-03 -7.2706000000e-03  2.7805000000e-03
+
+JOB 132
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+ENERGY -1.526610801378e+02
+FORCES  4.3820000000e-03  2.9366000000e-03  7.1206000000e-03  1.3533000000e-03  1.7384000000e-03 -1.7743000000e-03 -5.8403000000e-03 -5.6293000000e-03 -5.9835000000e-03  9.9090000000e-04  2.3545000000e-03  4.8457000000e-03  3.1483000000e-03 -2.9506000000e-03 -2.2112000000e-03 -4.0341000000e-03  1.5505000000e-03 -1.9973000000e-03
+
+JOB 133
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+ENERGY -1.526594372792e+02
+FORCES  4.9951000000e-03  3.7540000000e-03  3.0404000000e-03 -1.7043000000e-03  2.0875000000e-03  2.1033000000e-03 -3.2158000000e-03 -7.6389000000e-03 -6.1630000000e-03  6.4730000000e-03  1.9197000000e-03  3.1380000000e-03 -2.4207000000e-03  2.6329000000e-03 -4.4877000000e-03 -4.1274000000e-03 -2.7551000000e-03  2.3689000000e-03
+
+JOB 134
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+ENERGY -1.526616667650e+02
+FORCES  6.1371000000e-03 -8.0695000000e-03 -5.0225000000e-03 -7.1657000000e-03  6.0543000000e-03  5.9248000000e-03  2.2431000000e-03  8.6090000000e-04 -2.0420000000e-03  3.8543000000e-03  2.3478000000e-03  4.9540000000e-04 -3.2052000000e-03  2.5894000000e-03 -2.4594000000e-03 -1.8637000000e-03 -3.7829000000e-03  3.1038000000e-03
+
+JOB 135
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+ENERGY -1.526608122101e+02
+FORCES -1.8018000000e-03 -1.2707000000e-03 -6.0163000000e-03 -2.5203000000e-03  2.5680000000e-03  3.5068000000e-03  3.6422000000e-03 -2.5517000000e-03  2.6129000000e-03 -7.0822000000e-03 -3.6578000000e-03 -4.2733000000e-03  1.8468000000e-03 -1.5744000000e-03 -1.5991000000e-03  5.9153000000e-03  6.4866000000e-03  5.7690000000e-03
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+JOB 136
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+ENERGY -1.526550302986e+02
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+JOB 137
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+JOB 138
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+JOB 139
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+JOB 140
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+JOB 141
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+JOB 142
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+JOB 143
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+JOB 144
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+JOB 145
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+JOB 146
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+JOB 147
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+JOB 148
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+JOB 149
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+JOB 150
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+JOB 151
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+JOB 152
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+JOB 153
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+JOB 154
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+JOB 155
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+JOB 156
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+JOB 157
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+JOB 158
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+
+JOB 159
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+
+JOB 160
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+JOB 161
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+JOB 162
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+
+JOB 163
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+
+JOB 164
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2944900000e-01 -5.5085700000e-01 -6.5449300000e-01  7.1601300000e-01  4.7776200000e-01  4.1868800000e-01  1.7424570000e+00  1.8316230000e+00 -1.5332740000e+00  1.2114320000e+00  2.5495660000e+00 -1.1885960000e+00  2.2391430000e+00  2.2238060000e+00 -2.2514160000e+00
+ENERGY -1.526564233180e+02
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+JOB 165
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+ENERGY -1.526530781796e+02
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+JOB 166
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+
+JOB 167
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+JOB 168
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+JOB 169
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+JOB 170
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+JOB 171
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+JOB 172
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+JOB 173
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+JOB 174
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+JOB 175
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+JOB 176
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+JOB 177
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+JOB 178
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+JOB 179
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+JOB 180
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+ENERGY -1.526557279677e+02
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+
+JOB 181
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6510900000e-01  5.2928600000e-01 -6.4789000000e-01 -6.8371800000e-01 -5.2409600000e-01  4.1723500000e-01  1.4342910000e+00 -1.8452020000e+00 -1.6617630000e+00  7.6761800000e-01 -1.2703740000e+00 -1.2857950000e+00  9.5877000000e-01 -2.3812240000e+00 -2.2964230000e+00
+ENERGY -1.526587069874e+02
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+
+JOB 182
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9011400000e-01 -6.1073100000e-01 -4.4159400000e-01 -5.6261800000e-01  3.3673400000e-01 -6.9735400000e-01 -1.8227730000e+00 -1.6479740000e+00  1.2438790000e+00 -1.1223500000e+00 -2.1024930000e+00  1.7119090000e+00 -1.3948070000e+00 -8.8684600000e-01  8.5175500000e-01
+ENERGY -1.526582680189e+02
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+
+JOB 183
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4719000000e-01 -5.6703100000e-01 -6.8859800000e-01 -5.6290200000e-01 -5.7247600000e-01  5.2119500000e-01  1.5628700000e+00 -1.6273800000e+00  1.7379600000e+00  2.0037260000e+00 -8.9683600000e-01  1.3041580000e+00  1.0544310000e+00 -2.0470770000e+00  1.0440040000e+00
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+
+JOB 184
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6689500000e-01  3.8054200000e-01 -7.4392800000e-01 -5.4044700000e-01 -6.9061300000e-01 -3.8367100000e-01 -1.4824780000e+00  1.7519770000e+00 -1.6623700000e+00 -1.9759730000e+00  2.3010160000e+00 -2.2716740000e+00 -2.1506970000e+00  1.2460760000e+00 -1.2000070000e+00
+ENERGY -1.526552861634e+02
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+
+JOB 185
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3706100000e-01 -5.9207400000e-01 -6.7236100000e-01 -5.0612200000e-01 -5.6411000000e-01  5.8468100000e-01  1.2281630000e+00  1.9251830000e+00  1.3843140000e+00  1.7552860000e+00  2.3488240000e+00  7.0689100000e-01  7.1957000000e-01  1.2643270000e+00  9.1438400000e-01
+ENERGY -1.526590494091e+02
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+
+JOB 186
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+ENERGY -1.526576662480e+02
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+
+JOB 187
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7589000000e-01 -6.4712900000e-01  5.9679300000e-01 -6.2542600000e-01 -4.9571900000e-01 -5.2852300000e-01 -1.5803810000e+00 -1.5892070000e+00  1.5854780000e+00 -2.1936110000e+00 -1.1168210000e+00  1.0224220000e+00 -2.1380720000e+00 -2.0802190000e+00  2.1889020000e+00
+ENERGY -1.526549184314e+02
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+
+JOB 188
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2518000000e-02 -8.5907900000e-01 -4.1588000000e-01 -5.5463100000e-01  5.0743600000e-01 -5.9255800000e-01 -1.7958490000e+00  1.3812240000e+00  1.6550080000e+00 -1.2294690000e+00  8.7074200000e-01  2.2336740000e+00 -1.2500390000e+00  2.1142830000e+00  1.3704940000e+00
+ENERGY -1.526541624583e+02
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+
+JOB 189
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+
+JOB 190
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+ENERGY -1.526560122250e+02
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+
+JOB 191
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+ENERGY -1.526480320368e+02
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+
+JOB 192
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+ENERGY -1.526531577561e+02
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+
+JOB 193
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+ENERGY -1.526553108729e+02
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+
+JOB 194
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+ENERGY -1.526530512453e+02
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+
+JOB 195
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+ENERGY -1.526555111008e+02
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+
+JOB 196
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+ENERGY -1.526491648105e+02
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+JOB 197
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+JOB 198
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+ENERGY -1.526503247689e+02
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+JOB 199
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+ENERGY -1.526589463863e+02
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+JOB 200
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+ENERGY -1.526559031105e+02
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+JOB 201
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+ENERGY -1.526565027390e+02
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+JOB 202
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+ENERGY -1.526595248016e+02
+FORCES -2.6625000000e-03  1.6200000000e-05 -8.1940000000e-04  2.6858000000e-03 -2.4440000000e-03 -4.7272000000e-03  3.8709000000e-03  4.5970000000e-03  2.2544000000e-03 -7.6611000000e-03 -5.8534000000e-03  9.8939000000e-03  7.1780000000e-04 -2.3297000000e-03  2.6333000000e-03  3.0491000000e-03  6.0138000000e-03 -9.2350000000e-03
+
+JOB 203
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7388000000e-01 -5.1499600000e-01 -4.4373100000e-01 -3.3272100000e-01  5.9195400000e-01 -6.7462500000e-01  1.7654300000e+00  1.5118670000e+00 -1.8203640000e+00  2.3367450000e+00  2.2416560000e+00 -2.0596100000e+00  1.2818790000e+00  1.3128120000e+00 -2.6221040000e+00
+ENERGY -1.526542465290e+02
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+
+JOB 204
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5881900000e-01  6.6814800000e-01  5.0921100000e-01 -6.5508700000e-01 -3.2159200000e-01 -6.1941200000e-01 -1.9289420000e+00  1.4374660000e+00  1.5800540000e+00 -2.2756510000e+00  2.0343990000e+00  9.1695900000e-01 -2.7052370000e+00  1.0864180000e+00  2.0163600000e+00
+ENERGY -1.526587709687e+02
+FORCES -9.4650000000e-03  3.4931000000e-03  5.5966000000e-03  5.8235000000e-03 -5.5030000000e-04 -6.9399000000e-03  1.9629000000e-03  1.0380000000e-03  1.2375000000e-03 -3.9628000000e-03 -2.2034000000e-03  7.1370000000e-04  3.0548000000e-03 -4.7584000000e-03  2.0158000000e-03  2.5866000000e-03  2.9810000000e-03 -2.6236000000e-03
+
+JOB 205
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5642200000e-01  6.1688600000e-01  4.7547600000e-01  5.9522800000e-01  5.5386000000e-01 -5.0514800000e-01  2.0368480000e+00  1.4838280000e+00  1.7982750000e+00  2.7642020000e+00  1.5042980000e+00  2.4201820000e+00  2.3920840000e+00  1.0402400000e+00  1.0280350000e+00
+ENERGY -1.526542023311e+02
+FORCES -9.0100000000e-05  6.8085000000e-03  3.1894000000e-03  4.8760000000e-04 -3.2405000000e-03 -3.5050000000e-03  2.0580000000e-04 -3.0545000000e-03  2.1887000000e-03  3.8181000000e-03 -3.9864000000e-03 -4.2740000000e-04 -3.2422000000e-03 -5.2010000000e-04 -2.6544000000e-03 -1.1792000000e-03  3.9929000000e-03  1.2087000000e-03
+
+JOB 206
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7183800000e-01 -3.4943900000e-01  1.8445400000e-01  1.5510800000e-01  7.2443500000e-01 -6.0610800000e-01 -7.0566000000e-02 -3.4646470000e+00 -1.7215300000e-01 -4.7474700000e-01 -2.8554750000e+00  4.4572900000e-01  5.7510500000e-01 -2.9368100000e+00 -6.4197100000e-01
+ENERGY -1.526555073298e+02
+FORCES  3.7630000000e-03  4.0720000000e-03 -1.9817000000e-03 -4.5306000000e-03 -4.6220000000e-04 -1.4799000000e-03 -2.4650000000e-04 -3.2787000000e-03  2.7468000000e-03 -1.1545000000e-03  6.5550000000e-03 -2.6310000000e-04  2.7326000000e-03 -4.3720000000e-03 -1.3101000000e-03 -5.6390000000e-04 -2.5141000000e-03  2.2880000000e-03
+
+JOB 207
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4919600000e-01 -7.3111700000e-01 -5.6533200000e-01 -8.6391800000e-01 -2.3958700000e-01  3.3537300000e-01  1.5927480000e+00 -1.8451140000e+00  1.2038610000e+00  2.0181980000e+00 -1.2398650000e+00  5.9649100000e-01  9.8165500000e-01 -2.3414620000e+00  6.5940300000e-01
+ENERGY -1.526455697327e+02
+FORCES  1.3181000000e-03 -9.3741000000e-03  6.7715000000e-03  2.7212000000e-03 -8.3600000000e-05  3.2453000000e-03  3.2621000000e-03  6.2630000000e-04 -2.4364000000e-03 -7.2661000000e-03  1.0415000000e-02 -6.4936000000e-03 -6.8970000000e-04 -4.3564000000e-03 -6.4760000000e-04  6.5440000000e-04  2.7728000000e-03 -4.3920000000e-04
+
+JOB 208
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0094800000e-01  4.8575300000e-01  6.5523000000e-01  2.9392200000e-01  6.6705100000e-01 -6.2039100000e-01 -3.4843190000e+00  4.6226000000e-02 -6.4804000000e-02 -4.1958200000e+00  5.5487900000e-01  3.2413100000e-01 -3.1555080000e+00 -4.9454600000e-01  6.5330500000e-01
+ENERGY -1.526544241832e+02
+FORCES -2.6182000000e-03  5.6213000000e-03 -1.6623000000e-03  2.6689000000e-03 -2.8526000000e-03 -9.6320000000e-04 -1.4560000000e-04 -2.5584000000e-03  2.7425000000e-03 -2.0565000000e-03 -2.1003000000e-03  3.6978000000e-03  3.6713000000e-03 -1.7886000000e-03 -1.6595000000e-03 -1.5199000000e-03  3.6787000000e-03 -2.1554000000e-03
+
+JOB 209
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9662400000e-01  1.5683300000e-01  6.3745600000e-01 -2.2732000000e-02  7.6592800000e-01 -5.7364600000e-01 -1.6934630000e+00 -1.5823710000e+00  1.4285340000e+00 -1.3673070000e+00 -2.2433560000e+00  8.1783700000e-01 -2.2641580000e+00 -1.0263460000e+00  8.9808600000e-01
+ENERGY -1.526535266237e+02
+FORCES -3.3367000000e-03 -1.4529000000e-03  6.5415000000e-03 -1.5007000000e-03  2.5300000000e-03 -6.3131000000e-03 -2.2601000000e-03 -4.0498000000e-03  3.2029000000e-03  4.9636000000e-03 -8.2290000000e-04 -1.0365100000e-02 -3.3639000000e-03  1.0604000000e-03  3.8333000000e-03  5.4978000000e-03  2.7352000000e-03  3.1006000000e-03
+
+JOB 210
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3587500000e-01 -8.7723900000e-01  3.5808000000e-01 -5.4944600000e-01 -1.3816900000e-01 -7.7152500000e-01 -1.9552540000e+00 -1.7593590000e+00 -1.6844650000e+00 -2.3794790000e+00 -1.1131230000e+00 -2.2489510000e+00 -2.6496140000e+00 -2.0573600000e+00 -1.0968500000e+00
+ENERGY -1.526584932613e+02
+FORCES -4.0441000000e-03 -8.2825000000e-03 -4.2845000000e-03  5.7620000000e-04  3.4170000000e-03  9.0770000000e-04  2.9395000000e-03  6.0594000000e-03  2.2870000000e-03 -6.2643000000e-03 -6.6640000000e-04  1.4260000000e-04  3.3997000000e-03 -1.8154000000e-03  3.8693000000e-03  3.3929000000e-03  1.2880000000e-03 -2.9221000000e-03
+
+JOB 211
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3067900000e-01 -4.5044700000e-01 -6.5704600000e-01 -4.4668100000e-01 -7.0341400000e-01  4.7108100000e-01  1.6370890000e+00  1.5870840000e+00 -1.9209030000e+00  2.1960360000e+00  9.5838600000e-01 -1.4642320000e+00  2.2441880000e+00  2.1169370000e+00 -2.4375430000e+00
+ENERGY -1.526522485081e+02
+FORCES -5.4380000000e-04 -3.8426000000e-03 -2.7347000000e-03  6.4710000000e-04  1.3687000000e-03  4.3866000000e-03  1.7883000000e-03  3.5268000000e-03 -2.1836000000e-03  4.8114000000e-03  9.5810000000e-04  1.2548000000e-03 -3.7206000000e-03 -9.4000000000e-06 -3.2737000000e-03 -2.9825000000e-03 -2.0015000000e-03  2.5505000000e-03
+
+JOB 212
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8312700000e-01 -1.2095900000e-01  8.1742800000e-01  3.5589400000e-01  8.8651600000e-01  6.0505000000e-02  3.1500280000e+00  2.4126500000e-01  2.7662000000e-01  3.8363180000e+00 -5.2753000000e-02 -3.2237100000e-01  2.7346800000e+00 -5.6584400000e-01  5.8041700000e-01
+ENERGY -1.526574082941e+02
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+
+JOB 213
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8193300000e-01  5.4328300000e-01  7.6679600000e-01  6.3421600000e-01  5.0617300000e-01 -5.0773100000e-01  3.4781400000e-01  4.4168000000e-02  3.2465860000e+00 -3.3294100000e-01  5.3737300000e-01  3.7043550000e+00  8.5124000000e-01  7.0917100000e-01  2.7769420000e+00
+ENERGY -1.526527213469e+02
+FORCES  7.0190000000e-04  2.4130000000e-03  2.5485000000e-03  2.0928000000e-03  8.8780000000e-04 -4.3318000000e-03 -2.2887000000e-03 -1.9569000000e-03  3.1918000000e-03  1.0278000000e-03  3.1337000000e-03  2.1657000000e-03  2.9393000000e-03 -2.1591000000e-03 -3.4169000000e-03 -4.4731000000e-03 -2.3185000000e-03 -1.5720000000e-04
+
+JOB 214
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+ENERGY -1.526601545869e+02
+FORCES  7.6658000000e-03  6.1603000000e-03  1.0280700000e-02  1.3929000000e-03  1.5210000000e-03 -1.3753000000e-03 -6.8869000000e-03 -3.1014000000e-03 -5.7126000000e-03 -7.0650000000e-04 -3.0526000000e-03  6.8740000000e-04  2.3474000000e-03 -4.4335000000e-03 -2.1942000000e-03 -3.8127000000e-03  2.9062000000e-03 -1.6861000000e-03
+
+JOB 215
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+ENERGY -1.526609078433e+02
+FORCES -6.6550000000e-04  1.4356000000e-03  4.2941000000e-03  1.3801000000e-03  3.7508000000e-03 -5.4550000000e-03 -8.4660000000e-04 -4.3723000000e-03 -1.0187000000e-03  7.4631000000e-03  5.6822000000e-03  6.7770000000e-04 -7.1539000000e-03 -6.5822000000e-03 -1.4126000000e-03 -1.7720000000e-04  8.5900000000e-05  2.9145000000e-03
+
+JOB 216
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+ENERGY -1.526605757615e+02
+FORCES  8.8590000000e-03 -2.9708000000e-03  2.0577000000e-03 -2.3510000000e-03 -1.6882000000e-03  3.6720000000e-04 -6.4929000000e-03  4.0618000000e-03 -3.1596000000e-03  6.9600000000e-05 -1.4884000000e-03  4.3318000000e-03  3.2448000000e-03 -9.7620000000e-04 -3.8848000000e-03 -3.3294000000e-03  3.0619000000e-03  2.8760000000e-04
+
+JOB 217
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+ENERGY -1.526530522896e+02
+FORCES -6.1100000000e-04 -4.5043000000e-03 -1.8219000000e-03 -6.0340000000e-04  1.7116000000e-03  4.0091000000e-03  1.8222000000e-03  3.2606000000e-03 -2.1296000000e-03  4.7062000000e-03  9.9680000000e-04  1.5227000000e-03 -2.3556000000e-03  7.5400000000e-04 -3.6488000000e-03 -2.9583000000e-03 -2.2187000000e-03  2.0686000000e-03
+
+JOB 218
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+ENERGY -1.526571843899e+02
+FORCES  2.0268000000e-03  6.0190000000e-04 -6.5998000000e-03 -3.1589000000e-03  1.9547000000e-03  2.5690000000e-03  2.9972000000e-03 -1.8744000000e-03  4.4758000000e-03  6.9937000000e-03  8.8370000000e-04 -1.4498000000e-03 -2.9835000000e-03  1.4056000000e-03 -1.0390000000e-03 -5.8752000000e-03 -2.9715000000e-03  2.0439000000e-03
+
+JOB 219
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+ENERGY -1.526494341599e+02
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+
+JOB 220
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+ENERGY -1.526500827407e+02
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+
+JOB 221
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+ENERGY -1.526602908754e+02
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+
+JOB 222
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+ENERGY -1.526593203030e+02
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+JOB 223
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+ENERGY -1.526577471990e+02
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+JOB 224
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+ENERGY -1.526552393833e+02
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+
+JOB 225
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1002500000e-01  4.8919000000e-02 -9.3259200000e-01 -7.5223000000e-01 -5.9014400000e-01  4.5957000000e-02 -2.9198920000e+00 -1.4345350000e+00  7.9530200000e-01 -3.2091250000e+00 -1.1166480000e+00  1.6505930000e+00 -3.6539110000e+00 -1.9574900000e+00  4.7286400000e-01
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+
+JOB 226
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+
+JOB 227
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+
+JOB 228
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6544300000e-01 -3.9042300000e-01  7.9388500000e-01 -7.9327800000e-01 -5.0681500000e-01 -1.7343800000e-01  1.7364180000e+00 -1.0943750000e+00 -1.7973320000e+00  1.0408720000e+00 -7.3436200000e-01 -1.2470260000e+00  2.0547810000e+00 -1.8566070000e+00 -1.3137220000e+00
+ENERGY -1.526579443371e+02
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+
+JOB 229
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4979000000e-02 -2.2092700000e-01  9.2833200000e-01 -3.7536000000e-02 -8.4335800000e-01 -4.5118700000e-01  1.4138210000e+00 -1.9576120000e+00 -1.4048920000e+00  8.3578300000e-01 -2.5394140000e+00 -9.1132400000e-01  1.8291790000e+00 -1.4101620000e+00 -7.3855300000e-01
+ENERGY -1.526524893273e+02
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+
+JOB 230
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0404200000e-01  6.4311300000e-01  6.7897300000e-01  3.5680700000e-01  5.1786800000e-01 -7.2161900000e-01 -1.6344300000e-01  3.5224510000e+00  2.2230800000e-01  5.8224100000e-01  2.9334170000e+00  3.3731500000e-01  1.3450200000e-01  4.1636400000e+00 -4.2293400000e-01
+ENERGY -1.526540568225e+02
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+
+JOB 231
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3211700000e-01 -6.9120800000e-01 -5.7285400000e-01  7.8015200000e-01  3.5196700000e-01  4.2861800000e-01 -1.5469290000e+00  1.6463000000e+00 -1.8636810000e+00 -2.0020060000e+00  1.1429110000e+00 -2.5387630000e+00 -7.6047100000e-01  1.1352590000e+00 -1.6724900000e+00
+ENERGY -1.526561006735e+02
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+
+JOB 232
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2593200000e-01  5.2820400000e-01 -7.2869800000e-01 -6.4863400000e-01 -5.8164000000e-01 -3.9648700000e-01  1.6689160000e+00 -1.7853960000e+00 -1.0808820000e+00  1.2622270000e+00 -1.6358270000e+00 -1.9343830000e+00  1.1923910000e+00 -1.2088110000e+00 -4.8363300000e-01
+ENERGY -1.526539241318e+02
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+
+JOB 233
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5635600000e-01 -4.9629600000e-01  6.0032500000e-01 -3.5960500000e-01 -6.5881500000e-01 -5.9403600000e-01  1.7251970000e+00 -1.7496800000e+00  1.2082170000e+00  1.3498230000e+00 -2.4634500000e+00  1.7238320000e+00  2.0378920000e+00 -1.1217940000e+00  1.8595330000e+00
+ENERGY -1.526577672969e+02
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+
+JOB 234
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+ENERGY -1.526581578248e+02
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+
+JOB 235
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+
+JOB 236
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+
+JOB 237
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+
+JOB 238
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+ENERGY -1.526526063365e+02
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+JOB 239
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+JOB 240
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+JOB 241
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+JOB 242
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+ENERGY -1.526573665745e+02
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+JOB 243
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+JOB 244
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+JOB 245
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+JOB 246
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+ENERGY -1.526574493103e+02
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+
+JOB 247
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3465700000e-01 -4.2128700000e-01  4.4612600000e-01  2.5264400000e-01  7.1857800000e-01  5.7969700000e-01 -1.6936130000e+00 -1.3117490000e+00  1.6019400000e+00 -2.4037110000e+00 -9.1665300000e-01  2.1077970000e+00 -1.2063400000e+00 -1.8336390000e+00  2.2394570000e+00
+ENERGY -1.526593320447e+02
+FORCES -1.0761400000e-02 -6.1652000000e-03  1.1530300000e-02  5.0090000000e-03  4.0919000000e-03 -5.8143000000e-03 -8.3870000000e-04 -2.0178000000e-03 -9.8500000000e-04  5.7504000000e-03  2.7130000000e-03 -1.1171000000e-03  4.6584000000e-03 -1.8753000000e-03 -1.6349000000e-03 -3.8176000000e-03  3.2535000000e-03 -1.9789000000e-03
+
+JOB 248
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9986600000e-01 -3.3275500000e-01  8.0350000000e-01  1.9252500000e-01 -6.6774700000e-01 -6.5824000000e-01  1.8685850000e+00 -1.3902320000e+00 -1.4446680000e+00  1.6686410000e+00 -2.0376470000e+00 -7.6857000000e-01  2.4466750000e+00 -7.6196400000e-01 -1.0118600000e+00
+ENERGY -1.526531184857e+02
+FORCES  8.7024000000e-03 -7.7946000000e-03 -7.0878000000e-03  4.1810000000e-04  3.6450000000e-04 -3.5354000000e-03 -3.7705000000e-03 -3.9340000000e-04  6.6054000000e-03  8.3570000000e-04  5.9861000000e-03  7.5008000000e-03 -3.8747000000e-03  6.2763000000e-03 -2.0216000000e-03 -2.3111000000e-03 -4.4390000000e-03 -1.4613000000e-03
+
+JOB 249
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6447400000e-01  6.0684200000e-01  4.7889900000e-01 -6.0394200000e-01 -5.2904500000e-01 -5.2115000000e-01  1.7231750000e+00 -1.4583850000e+00 -1.5916590000e+00  1.5381750000e+00 -8.5279500000e-01 -8.7383800000e-01  2.6085550000e+00 -1.2308240000e+00 -1.8754740000e+00
+ENERGY -1.526608115955e+02
+FORCES -2.4674000000e-03 -1.0020000000e-03 -2.0363000000e-03  8.7890000000e-04 -3.0305000000e-03 -2.8714000000e-03  2.8428000000e-03  3.5063000000e-03  3.9578000000e-03 -8.3090000000e-04  6.2914000000e-03  5.0467000000e-03  2.4324000000e-03 -5.8733000000e-03 -5.8404000000e-03 -2.8558000000e-03  1.0800000000e-04  1.7437000000e-03
+
+JOB 250
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7736000000e-01 -3.3929300000e-01 -5.8506100000e-01  4.5602300000e-01  6.3494100000e-01  5.5238100000e-01  2.1418740000e+00  1.7223470000e+00  1.4136470000e+00  1.3847650000e+00  2.2016710000e+00  1.7501950000e+00  2.4737710000e+00  2.2679630000e+00  7.0064000000e-01
+ENERGY -1.526577443155e+02
+FORCES  9.7472000000e-03  1.9129000000e-03  2.3601000000e-03 -3.0932000000e-03  8.0680000000e-04  6.4580000000e-04 -7.9320000000e-03 -1.4110000000e-04 -1.9060000000e-03  1.5491000000e-03  6.2702000000e-03 -1.0290000000e-04  1.9660000000e-03 -5.4312000000e-03 -4.2331000000e-03 -2.2372000000e-03 -3.4176000000e-03  3.2362000000e-03
+
+JOB 251
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7366100000e-01 -4.2621400000e-01  3.6881200000e-01 -2.5872800000e-01  9.1523100000e-01 -1.0791000000e-01  2.1469180000e+00 -1.1946870000e+00  9.7045900000e-01  1.5853900000e+00 -5.5702400000e-01  5.2966100000e-01  2.8180660000e+00 -6.6576300000e-01  1.4017730000e+00
+ENERGY -1.526591246115e+02
+FORCES  2.6162000000e-03 -4.8407000000e-03  5.5525000000e-03  2.2922000000e-03  4.1084000000e-03 -2.7682000000e-03  1.2855000000e-03 -4.5921000000e-03  1.5265000000e-03 -1.1283800000e-02  8.1094000000e-03 -5.2604000000e-03  8.4822000000e-03 -2.9532000000e-03  2.9474000000e-03 -3.3923000000e-03  1.6820000000e-04 -1.9978000000e-03
+
+JOB 252
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6570600000e-01  4.8185300000e-01  4.9080100000e-01  6.5350200000e-01 -2.4219900000e-01  6.5613000000e-01  2.6933750000e+00 -6.0676300000e-01  3.1301500000e-01  2.8367600000e+00 -1.5498630000e+00  3.9198100000e-01  3.5411150000e+00 -2.5729900000e-01  3.8346000000e-02
+ENERGY -1.526569292240e+02
+FORCES  6.9919000000e-03 -1.6330000000e-04  3.2628000000e-03  3.7494000000e-03 -1.4850000000e-03 -1.3855000000e-03 -8.1917000000e-03 -8.8180000000e-04  2.7380000000e-04  1.8150000000e-03  4.3860000000e-04 -3.7430000000e-03 -1.4535000000e-03  4.6981000000e-03  4.2980000000e-04 -2.9110000000e-03 -2.6065000000e-03  1.1621000000e-03
+
+JOB 253
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1462100000e-01 -7.1846400000e-01  4.7763000000e-01 -5.0674700000e-01  4.6832200000e-01  6.6341100000e-01 -1.3449620000e+00  1.2156910000e+00  2.0012510000e+00 -9.9690800000e-01  9.7709000000e-01  2.8604130000e+00 -2.2118430000e+00  8.1080700000e-01  1.9726180000e+00
+ENERGY -1.526590463223e+02
+FORCES -6.8593000000e-03  7.0354000000e-03  1.4138200000e-02 -1.5579000000e-03  2.1911000000e-03 -2.9060000000e-04  2.6660000000e-03 -6.0119000000e-03 -7.9652000000e-03  1.8465000000e-03 -4.2907000000e-03 -6.3640000000e-04 -2.3153000000e-03  3.9400000000e-05 -4.9453000000e-03  6.2200000000e-03  1.0366000000e-03 -3.0070000000e-04
+
+JOB 254
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8295400000e-01  3.0823500000e-01  5.9564900000e-01 -4.7186800000e-01 -4.9132800000e-01 -6.7243500000e-01  2.3407010000e+00 -8.3052900000e-01  1.2991500000e+00  3.2170580000e+00 -5.1449000000e-01  1.0792640000e+00  1.7693110000e+00 -4.2796600000e-01  6.4517100000e-01
+ENERGY -1.526610816303e+02
+FORCES -2.3762000000e-03 -2.2731000000e-03  2.9517000000e-03  1.8434000000e-03 -1.4757000000e-03 -4.0788000000e-03  1.3960000000e-03  2.6698000000e-03  3.2893000000e-03 -6.5411000000e-03  3.7127000000e-03 -5.4423000000e-03 -3.8195000000e-03 -3.8980000000e-04 -4.3540000000e-04  9.4974000000e-03 -2.2439000000e-03  3.7156000000e-03
+
+JOB 255
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1541000000e-01 -6.9281400000e-01 -2.3981500000e-01  4.4073800000e-01 -3.3083600000e-01  7.8264300000e-01  1.3310610000e+00 -2.1544080000e+00 -1.5563310000e+00  5.4788900000e-01 -1.6978970000e+00 -1.8636930000e+00  2.0466370000e+00 -1.5400160000e+00 -1.7197460000e+00
+ENERGY -1.526541047498e+02
+FORCES  2.4761000000e-03 -8.7327000000e-03  2.6638000000e-03  2.1911000000e-03  2.8419000000e-03 -2.4596000000e-03 -2.2234000000e-03  3.0297000000e-03 -2.1588000000e-03 -6.7110000000e-04  1.0409400000e-02  2.5100000000e-04 -4.3690000000e-04 -3.6484000000e-03  1.6619000000e-03 -1.3358000000e-03 -3.8998000000e-03  4.1700000000e-05
+
+JOB 256
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8783600000e-01  2.1532500000e-01 -2.8568300000e-01 -2.6676000000e-02  8.7352000000e-02  9.5283300000e-01 -2.1005620000e+00  9.2268500000e-01  1.8648980000e+00 -2.5257500000e+00  9.6669200000e-01  2.7213500000e+00 -2.7292290000e+00  4.6325000000e-01  1.3081840000e+00
+ENERGY -1.526566074035e+02
+FORCES -6.4908000000e-03  4.5359000000e-03  6.9722000000e-03  8.3040000000e-04 -2.2197000000e-03 -1.0429000000e-03  3.9880000000e-03 -2.6719000000e-03 -4.0582000000e-03 -4.8646000000e-03 -1.3097000000e-03  1.1461000000e-03  2.1208000000e-03 -5.5150000000e-04 -4.0426000000e-03  4.4161000000e-03  2.2168000000e-03  1.0254000000e-03
+
+JOB 257
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8404900000e-01  7.3188100000e-01  5.4763000000e-01 -3.5220000000e-02  3.6223400000e-01 -8.8531200000e-01  1.7120120000e+00 -1.8594180000e+00 -1.2141190000e+00  1.8176980000e+00 -1.5338500000e+00 -2.1080260000e+00  1.3344400000e+00 -1.1227630000e+00 -7.3348400000e-01
+ENERGY -1.526571722868e+02
+FORCES -1.2636000000e-03  3.2014000000e-03 -9.6240000000e-04 -8.5340000000e-04 -4.1792000000e-03 -3.8004000000e-03  4.5112000000e-03 -4.2606000000e-03  4.3842000000e-03 -6.3104000000e-03  7.6222000000e-03  5.1156000000e-03 -1.8838000000e-03  5.9860000000e-04  3.5481000000e-03  5.8000000000e-03 -2.9824000000e-03 -8.2851000000e-03
+
+JOB 258
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5320000000e-03 -9.3081000000e-01  2.2312000000e-01 -7.7293000000e-02  4.4910800000e-01  8.4176000000e-01 -2.1356180000e+00  1.5804540000e+00  2.4116590000e+00 -2.8456840000e+00  1.9471810000e+00  2.9384880000e+00 -1.7545450000e+00  2.3355980000e+00  1.9635820000e+00
+ENERGY -1.526560816413e+02
+FORCES -2.0927000000e-03 -2.5293000000e-03  5.6693000000e-03  6.3700000000e-04  3.2373000000e-03 -1.3984000000e-03  2.2768000000e-03 -4.2330000000e-04 -4.8064000000e-03 -3.3975000000e-03  5.0870000000e-03  5.8160000000e-04  2.8992000000e-03 -1.2634000000e-03 -2.3189000000e-03 -3.2280000000e-04 -4.1084000000e-03  2.2728000000e-03
+
+JOB 259
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0195100000e-01  3.0692900000e-01  6.7799800000e-01 -5.5967800000e-01 -4.5321400000e-01 -6.3054700000e-01 -2.3546380000e+00  1.1453170000e+00  6.2873200000e-01 -2.2385640000e+00  1.5245430000e+00  1.4999080000e+00 -3.2090950000e+00  1.4654680000e+00  3.3953000000e-01
+ENERGY -1.526537911213e+02
+FORCES -1.6092600000e-02  4.5865000000e-03 -6.2650000000e-04  3.6607000000e-03  7.7230000000e-04  5.6680000000e-03  3.5328000000e-03 -5.4330000000e-04 -9.7200000000e-05  2.8342000000e-03  3.7220000000e-04 -1.5868000000e-03  1.9453000000e-03 -3.9527000000e-03 -4.9476000000e-03  4.1195000000e-03 -1.2350000000e-03  1.5901000000e-03
+
+JOB 260
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6785200000e-01 -5.3162200000e-01  7.4957700000e-01 -8.1851700000e-01  3.5364300000e-01 -3.4813400000e-01 -1.7624160000e+00  1.1940680000e+00 -1.5082510000e+00 -2.2376070000e+00  1.9789440000e+00 -1.7810040000e+00 -2.3791560000e+00  4.7693700000e-01 -1.6551750000e+00
+ENERGY -1.526557305031e+02
+FORCES -8.8975000000e-03  8.7976000000e-03 -6.8003000000e-03 -1.6998000000e-03  2.3581000000e-03 -3.7553000000e-03  4.4410000000e-04 -8.9277000000e-03  2.6107000000e-03  4.2837000000e-03 -6.9240000000e-04  3.7270000000e-03  1.2308000000e-03 -5.1108000000e-03 -1.8440000000e-04  4.6387000000e-03  3.5751000000e-03  4.4023000000e-03
+
+JOB 261
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+ENERGY -1.526573051989e+02
+FORCES  1.1422400000e-02 -4.3015000000e-03  1.0641100000e-02 -3.6241000000e-03  9.4090000000e-04 -1.0619900000e-02  1.6151000000e-03 -1.2180000000e-03  4.1080000000e-03 -5.2765000000e-03 -2.4862000000e-03 -1.6718000000e-03  2.6187000000e-03  3.3644000000e-03 -3.5322000000e-03 -6.7557000000e-03  3.7003000000e-03  1.0750000000e-03
+
+JOB 262
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+ENERGY -1.526577379505e+02
+FORCES -1.6282200000e-02  4.9044000000e-03 -8.2073000000e-03  7.6251000000e-03 -1.5585000000e-03  2.3722000000e-03  1.3291000000e-03  2.3993000000e-03  8.7100000000e-05  5.3371000000e-03  4.8510000000e-04  6.9487000000e-03  8.2220000000e-04 -2.0060000000e-03 -4.8410000000e-03  1.1686000000e-03 -4.2242000000e-03  3.6403000000e-03
+
+JOB 263
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+ENERGY -1.526565198145e+02
+FORCES -6.8400000000e-04  3.4309000000e-03  2.7530000000e-04  2.3789000000e-03 -2.9120000000e-03  3.7620000000e-03  1.7073000000e-03 -1.5166000000e-03 -3.8878000000e-03 -5.8439000000e-03  2.4209000000e-03  2.7969000000e-03  4.1042000000e-03 -5.1967000000e-03 -4.9709000000e-03 -1.6626000000e-03  3.7734000000e-03  2.0246000000e-03
+
+JOB 264
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+ENERGY -1.526573659163e+02
+FORCES -3.1230000000e-04  4.2597000000e-03 -5.7780000000e-04  3.0948000000e-03 -2.5701000000e-03 -2.4614000000e-03 -6.2970000000e-04 -3.5612000000e-03  3.6229000000e-03 -1.1757300000e-02  3.4908000000e-03 -3.9170000000e-04  4.6467000000e-03 -7.2800000000e-04  1.1044000000e-03  4.9578000000e-03 -8.9120000000e-04 -1.2964000000e-03
+
+JOB 265
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+ENERGY -1.526503538125e+02
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+
+JOB 266
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+ENERGY -1.526540276101e+02
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+
+JOB 267
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+ENERGY -1.526572090282e+02
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+JOB 268
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+JOB 269
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+JOB 270
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+JOB 271
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+JOB 272
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+JOB 273
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+JOB 274
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+JOB 275
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+JOB 276
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+JOB 277
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+JOB 278
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+JOB 279
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+JOB 280
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+JOB 281
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+JOB 282
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+JOB 283
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+JOB 284
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+JOB 285
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+JOB 286
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+JOB 287
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+JOB 289
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+JOB 290
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+
+JOB 291
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+
+JOB 292
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+
+JOB 293
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+
+JOB 294
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+ENERGY -1.526554639131e+02
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+
+JOB 295
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+
+JOB 296
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+
+JOB 297
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+
+JOB 298
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+JOB 299
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+
+JOB 300
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+JOB 301
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+JOB 302
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+JOB 303
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+JOB 304
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+JOB 305
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+JOB 306
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+JOB 307
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+JOB 308
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+JOB 309
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+JOB 310
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+JOB 311
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+JOB 312
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+JOB 313
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+JOB 314
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+JOB 315
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+JOB 316
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+JOB 317
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+JOB 318
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+JOB 319
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+JOB 320
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+JOB 321
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+JOB 322
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+JOB 323
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+JOB 324
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+JOB 325
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+JOB 326
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+JOB 327
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+JOB 328
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+JOB 329
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+JOB 330
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+JOB 331
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+JOB 332
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+
+JOB 335
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+
+JOB 336
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+JOB 337
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+
+JOB 338
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+
+JOB 339
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+
+JOB 340
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+
+JOB 341
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+JOB 342
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+
+JOB 343
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+JOB 344
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+JOB 345
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+JOB 346
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+JOB 347
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+JOB 348
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+JOB 349
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+JOB 350
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+JOB 351
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+JOB 352
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+JOB 353
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+JOB 354
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+JOB 355
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+JOB 356
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+JOB 357
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+JOB 358
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+JOB 359
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+JOB 360
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+JOB 361
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+JOB 362
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+JOB 363
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+JOB 364
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+JOB 365
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+JOB 366
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+JOB 367
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+JOB 368
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+JOB 369
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+JOB 370
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+JOB 371
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+JOB 372
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+JOB 373
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+JOB 374
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+JOB 375
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+JOB 376
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+JOB 377
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+JOB 378
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+JOB 380
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+JOB 381
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+JOB 382
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+JOB 383
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+JOB 384
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+JOB 385
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+JOB 386
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+JOB 387
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+JOB 388
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+JOB 389
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+JOB 390
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+JOB 391
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+JOB 392
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+JOB 393
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+JOB 394
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+JOB 395
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+JOB 401
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+JOB 402
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+
+JOB 403
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+
+JOB 404
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+
+JOB 405
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+
+JOB 406
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+JOB 407
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+JOB 408
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+JOB 409
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+JOB 410
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+JOB 411
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+JOB 412
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+JOB 413
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+JOB 414
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+JOB 415
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+JOB 416
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+JOB 417
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+JOB 419
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+JOB 420
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+JOB 421
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+JOB 422
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+JOB 423
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+JOB 425
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+JOB 426
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+JOB 427
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+JOB 428
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+JOB 429
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+JOB 430
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+JOB 431
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+JOB 432
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+JOB 433
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+JOB 434
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+JOB 436
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+JOB 437
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+JOB 438
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+JOB 439
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+JOB 441
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+JOB 450
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+JOB 453
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+JOB 489
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+JOB 490
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+JOB 491
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+JOB 492
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+JOB 493
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+JOB 494
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+JOB 495
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+JOB 496
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+JOB 497
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+JOB 498
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+JOB 499
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+JOB 500
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+JOB 502
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+JOB 503
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+JOB 504
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+JOB 505
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+JOB 506
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+JOB 511
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+JOB 512
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+JOB 513
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+JOB 514
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+JOB 515
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+JOB 516
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+JOB 517
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+JOB 518
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+JOB 519
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+JOB 520
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+JOB 521
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+JOB 522
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+JOB 523
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+JOB 524
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+JOB 525
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+JOB 526
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+JOB 527
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+JOB 555
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+JOB 556
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+JOB 557
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+JOB 558
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+JOB 559
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+JOB 560
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+JOB 561
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+JOB 562
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+JOB 563
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+JOB 564
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+JOB 565
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+JOB 566
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+JOB 567
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+JOB 568
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+JOB 569
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+JOB 571
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+JOB 572
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+JOB 573
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+JOB 574
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+
+JOB 577
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+
+JOB 578
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+
+JOB 579
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+
+JOB 580
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+
+JOB 581
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+ENERGY -1.526539130190e+02
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+
+JOB 582
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+ENERGY -1.526492668624e+02
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+
+JOB 583
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+
+JOB 584
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+
+JOB 585
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+JOB 586
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+
+JOB 587
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+JOB 588
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+JOB 589
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+
+JOB 590
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+JOB 591
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+JOB 592
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+JOB 593
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+JOB 594
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+JOB 595
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+JOB 596
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+JOB 597
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+JOB 598
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+ENERGY -1.526580865799e+02
+FORCES  3.1702000000e-03 -5.5173000000e-03 -6.5464000000e-03  8.2450000000e-04  2.5898000000e-03 -1.6605000000e-03 -2.2390000000e-04  2.2879000000e-03  8.7173000000e-03  1.4412000000e-03  1.2068000000e-03 -5.3709000000e-03  8.0200000000e-04 -2.1382000000e-03  4.0491000000e-03 -6.0139000000e-03  1.5710000000e-03  8.1140000000e-04
+
+JOB 599
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+ENERGY -1.526590582268e+02
+FORCES -2.9076000000e-03  5.6704000000e-03 -2.7024000000e-03  2.8129000000e-03 -1.8711000000e-03  5.6687000000e-03  8.6300000000e-05 -3.6784000000e-03 -8.8570000000e-04  4.6383000000e-03 -2.7748000000e-03  1.7097000000e-03 -2.1329000000e-03  1.5401000000e-03 -6.4683000000e-03 -2.4969000000e-03  1.1138000000e-03  2.6781000000e-03
+
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/water.pdb b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/water.pdb
new file mode 100644
index 000000000..84470eab0
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/water.pdb
@@ -0,0 +1,9 @@
+ATOM      1  O1  HOH 1   1       0.352  -0.079  -1.180                          
+ATOM      2  H2  HOH 1   1       0.136  -1.005  -1.286                          
+ATOM      3  H3  HOH 1   1      -0.231   0.374  -1.790                          
+ATOM      4  O4  HOH 1   2      -0.250   0.123   1.273                          
+ATOM      5  H5  HOH 1   2      -0.161  -0.068   0.340                          
+ATOM      6  H6  HOH 1   2      -1.193   0.089   1.436                          
+ENDMDL
+CONECT    1    2    3
+CONECT    4    5    6
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/all.gro b/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/all.gro
new file mode 100644
index 000000000..60a2eab1c
--- /dev/null
+++ b/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/all.gro
@@ -0,0 +1,64800 @@
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+    6
+    0SOL     O1    1   0.035216  -0.007891  -0.118047
+    0SOL     H2    2   0.013612  -0.100544  -0.128587
+    0SOL     H3    3  -0.023084   0.037425  -0.178955
+    1SOL     O4    4  -0.025012   0.012283   0.127349
+    1SOL     H5    5  -0.016091  -0.006811   0.033978
+    1SOL     H6    6  -0.119275   0.008894   0.143638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068329   0.097053   0.037449
+    0SOL     H2    2  -0.147032   0.073895  -0.011865
+    0SOL     H3    3  -0.100130   0.116658   0.125578
+    1SOL     O4    4   0.081189  -0.095895  -0.043931
+    1SOL     H5    5   0.044696  -0.177205  -0.009012
+    1SOL     H6    6   0.022548  -0.027467  -0.011663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022499  -0.124004   0.015192
+    0SOL     H2    2   0.004881  -0.190135   0.082114
+    0SOL     H3    3  -0.006752  -0.164235  -0.066589
+    1SOL     O4    4  -0.025241   0.133616  -0.010805
+    1SOL     H5    5  -0.003792   0.040382  -0.007692
+    1SOL     H6    6   0.042237   0.171906  -0.066866
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054422  -0.125531   0.008842
+    0SOL     H2    2   0.027168  -0.033817   0.006011
+    0SOL     H3    3   0.120093  -0.128916   0.078399
+    1SOL     O4    4  -0.057240   0.113646  -0.015238
+    1SOL     H5    5  -0.090527   0.147704   0.067794
+    1SOL     H6    6  -0.013964   0.188520  -0.056267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057162  -0.096598   0.081668
+    0SOL     H2    2   0.009903  -0.024906   0.039369
+    0SOL     H3    3   0.145028  -0.093024   0.043864
+    1SOL     O4    4  -0.058691   0.087480  -0.072013
+    1SOL     H5    5  -0.047638   0.076625  -0.166471
+    1SOL     H6    6  -0.083206   0.179365  -0.061122
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1  -0.125192   0.029806   0.012408
+    0SOL     H2    2  -0.177747  -0.031722   0.063541
+    0SOL     H3    3  -0.163861   0.115423   0.030760
+    1SOL     O4    4   0.134130  -0.026605  -0.012940
+    1SOL     H5    5   0.159299  -0.099805  -0.069248
+    1SOL     H6    6   0.038505  -0.030045  -0.010415
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.094081  -0.001291   0.101499
+    0SOL     H2    2   0.186245   0.003379   0.076076
+    0SOL     H3    3   0.046356  -0.002935   0.018541
+    1SOL     O4    4  -0.092695  -0.004273  -0.094399
+    1SOL     H5    5  -0.173939   0.020776  -0.050418
+    1SOL     H6    6  -0.077023   0.065865  -0.157624
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1  -0.021701   0.062227  -0.111529
+    0SOL     H2    2  -0.099030   0.060994  -0.167931
+    0SOL     H3    3   0.020301   0.146183  -0.130222
+    1SOL     O4    4   0.020956  -0.068017   0.122217
+    1SOL     H5    5  -0.012498  -0.021728   0.045402
+    1SOL     H6    6   0.105152  -0.103710   0.093944
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.047375   0.092287  -0.078869
+    0SOL     H2    2  -0.028777   0.117155  -0.131261
+    0SOL     H3    3   0.122081   0.128817  -0.126271
+    1SOL     O4    4  -0.046888  -0.102476   0.083546
+    1SOL     H5    5  -0.087999  -0.054690   0.155578
+    1SOL     H6    6  -0.011123  -0.034208   0.026778
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.034309   0.055463   0.125268
+    0SOL     H2    2   0.092538  -0.013034   0.158128
+    0SOL     H3    3  -0.001949   0.019367   0.044367
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+    1SOL     H5    5  -0.001940  -0.129924  -0.149029
+    1SOL     H6    6  -0.023381   0.014986  -0.187244
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.033204  -0.042317   0.121670
+    0SOL     H2    2   0.030110  -0.137906   0.117727
+    0SOL     H3    3  -0.038315  -0.018402   0.180621
+    1SOL     O4    4  -0.023709   0.047890  -0.128301
+    1SOL     H5    5  -0.029813   0.017836  -0.037627
+    1SOL     H6    6  -0.114591   0.054054  -0.157710
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1  -0.006877   0.103161  -0.085040
+    0SOL     H2    2  -0.034377   0.037294  -0.148818
+    0SOL     H3    3   0.047656   0.163797  -0.135158
+    1SOL     O4    4   0.009879  -0.105920   0.095243
+    1SOL     H5    5  -0.084734  -0.118806   0.088558
+    1SOL     H6    6   0.029592  -0.038601   0.030113
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1  -0.007777  -0.101238   0.084848
+    0SOL     H2    2  -0.011018  -0.173050   0.021643
+    0SOL     H3    3  -0.056383  -0.133752   0.160627
+    1SOL     O4    4   0.005930   0.111836  -0.086282
+    1SOL     H5    5  -0.001700   0.029380  -0.038270
+    1SOL     H6    6   0.095157   0.111264  -0.120930
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.041370  -0.064394   0.117040
+    0SOL     H2    2   0.096126  -0.142615   0.110284
+    0SOL     H3    3   0.043678  -0.025846   0.029456
+    1SOL     O4    4  -0.041248   0.060936  -0.111838
+    1SOL     H5    5  -0.006817   0.150236  -0.113316
+    1SOL     H6    6  -0.136222   0.071908  -0.107156
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069619  -0.030655   0.108934
+    0SOL     H2    2   0.053723  -0.124976   0.105315
+    0SOL     H3    3   0.163118  -0.022784   0.127865
+    1SOL     O4    4  -0.081030   0.037265  -0.111022
+    1SOL     H5    5  -0.008089   0.044364  -0.172596
+    1SOL     H6    6  -0.040692   0.007980  -0.029306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050391   0.128326   0.040288
+    0SOL     H2    2  -0.011305   0.060654   0.012423
+    0SOL     H3    3   0.136430   0.093396   0.017058
+    1SOL     O4    4  -0.056577  -0.116500  -0.037262
+    1SOL     H5    5  -0.012087  -0.155166   0.038156
+    1SOL     H6    6  -0.023677  -0.165817  -0.112413
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070417  -0.082636  -0.091075
+    0SOL     H2    2   0.026263  -0.067554  -0.174653
+    0SOL     H3    3   0.024791  -0.025614  -0.029196
+    1SOL     O4    4  -0.064620   0.071902   0.090267
+    1SOL     H5    5  -0.067463   0.111650   0.177298
+    1SOL     H6    6  -0.074957   0.145486   0.029928
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032647  -0.065122   0.114138
+    0SOL     H2    2  -0.031401  -0.023970   0.172160
+    0SOL     H3    3   0.117416  -0.034627   0.146491
+    1SOL     O4    4  -0.033566   0.068271  -0.117978
+    1SOL     H5    5  -0.052814   0.026566  -0.201957
+    1SOL     H6    6  -0.021264  -0.004665  -0.057222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.048035   0.063774   0.116050
+    0SOL     H2    2  -0.005433   0.035829   0.041735
+    0SOL     H3    3   0.053281   0.158957   0.107394
+    1SOL     O4    4  -0.042207  -0.061588  -0.111787
+    1SOL     H5    5  -0.136720  -0.075384  -0.105521
+    1SOL     H6    6  -0.005214  -0.149823  -0.114689
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.051815  -0.119561  -0.057230
+    0SOL     H2    2   0.094466  -0.088333  -0.137029
+    0SOL     H3    3   0.005993  -0.042847  -0.022913
+    1SOL     O4    4  -0.051845   0.106277   0.057649
+    1SOL     H5    5  -0.065640   0.140903   0.145814
+    1SOL     H6    6  -0.033662   0.183510   0.004106
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1  -0.004837   0.135305  -0.037879
+    0SOL     H2    2   0.024319   0.047497  -0.013345
+    0SOL     H3    3   0.073114   0.190025  -0.028302
+    1SOL     O4    4   0.003013  -0.128582   0.033033
+    1SOL     H5    5  -0.064387  -0.181338  -0.009820
+    1SOL     H6    6   0.000218  -0.155943   0.124717
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1  -0.010415   0.083721  -0.105939
+    0SOL     H2    2  -0.077284   0.032006  -0.150844
+    0SOL     H3    3  -0.050977   0.169471  -0.093137
+    1SOL     O4    4   0.011358  -0.086392   0.112089
+    1SOL     H5    5   0.016366  -0.031953   0.033516
+    1SOL     H6    6   0.096139  -0.130650   0.116064
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.089377  -0.047596  -0.099875
+    0SOL     H2    2   0.030501  -0.025179  -0.027810
+    0SOL     H3    3   0.133096  -0.127741  -0.071103
+    1SOL     O4    4  -0.089874   0.054719   0.088494
+    1SOL     H5    5  -0.040180   0.080988   0.165972
+    1SOL     H6    6  -0.115487  -0.035838   0.105977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054827  -0.093833  -0.079850
+    0SOL     H2    2   0.139850  -0.094965  -0.035894
+    0SOL     H3    3   0.028293  -0.185742  -0.083154
+    1SOL     O4    4  -0.064080   0.098676   0.080476
+    1SOL     H5    5  -0.012082   0.178054   0.067924
+    1SOL     H6    6  -0.010010   0.028564   0.044102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039239   0.136590   0.001589
+    0SOL     H2    2  -0.099855   0.152743  -0.070710
+    0SOL     H3    3  -0.021031   0.042724  -0.002874
+    1SOL     O4    4   0.036913  -0.128715  -0.000542
+    1SOL     H5    5   0.021150  -0.190553   0.070802
+    1SOL     H6    6   0.131573  -0.131716  -0.014427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076783  -0.070779   0.086150
+    0SOL     H2    2   0.052458  -0.097884   0.174671
+    0SOL     H3    3   0.145675  -0.005596   0.099089
+    1SOL     O4    4  -0.076260   0.071858  -0.097304
+    1SOL     H5    5  -0.038892   0.003502  -0.041685
+    1SOL     H6    6  -0.164798   0.084744  -0.063285
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068473  -0.018799  -0.115503
+    0SOL     H2    2  -0.144161  -0.074630  -0.133294
+    0SOL     H3    3  -0.101693   0.070453  -0.125135
+    1SOL     O4    4   0.073596   0.014636   0.123035
+    1SOL     H5    5   0.026966  -0.010836   0.043416
+    1SOL     H6    6   0.138292   0.078701   0.093502
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1  -0.061247   0.053214  -0.110938
+    0SOL     H2    2  -0.043468  -0.024915  -0.163303
+    0SOL     H3    3  -0.010524   0.122503  -0.153229
+    1SOL     O4    4   0.059870  -0.049809   0.121884
+    1SOL     H5    5   0.071749  -0.140629   0.094080
+    1SOL     H6    6   0.008063  -0.009894   0.051990
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1  -0.000307   0.075304   0.122760
+    0SOL     H2    2   0.091765   0.088811   0.145179
+    0SOL     H3    3   0.001942   0.024433   0.041708
+    1SOL     O4    4  -0.006738  -0.073646  -0.113258
+    1SOL     H5    5  -0.044168  -0.019501  -0.182753
+    1SOL     H6    6   0.066212  -0.119354  -0.155107
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.133520   0.003343  -0.051698
+    0SOL     H2    2   0.048576   0.022278  -0.011846
+    0SOL     H3    3   0.185845   0.081750  -0.035064
+    1SOL     O4    4  -0.130258  -0.002557   0.046491
+    1SOL     H5    5  -0.082744  -0.059558   0.106952
+    1SOL     H6    6  -0.203419  -0.055999   0.015608
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1  -0.002711  -0.139539   0.044167
+    0SOL     H2    2   0.023164  -0.048173   0.032129
+    0SOL     H3    3  -0.056085  -0.159692  -0.032693
+    1SOL     O4    4  -0.001078   0.131408  -0.038611
+    1SOL     H5    5   0.062529   0.138418  -0.109796
+    1SOL     H6    6   0.030728   0.192267   0.028073
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012819   0.128237  -0.044400
+    0SOL     H2    2  -0.082477   0.121075  -0.038962
+    0SOL     H3    3   0.029923   0.222407  -0.043065
+    1SOL     O4    4  -0.009112  -0.139419   0.039033
+    1SOL     H5    5  -0.016291  -0.142724   0.134426
+    1SOL     H6    6   0.015646  -0.048947   0.019949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123320  -0.076446  -0.004507
+    0SOL     H2    2  -0.130770  -0.102447  -0.096326
+    0SOL     H3    3  -0.046894  -0.018870  -0.001993
+    1SOL     O4    4   0.113259   0.075520   0.013092
+    1SOL     H5    5   0.133812   0.105295  -0.075527
+    1SOL     H6    6   0.193552   0.033128   0.043393
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097902  -0.084864  -0.067710
+    0SOL     H2    2   0.032359  -0.056702  -0.003888
+    0SOL     H3    3   0.046895  -0.121909  -0.139740
+    1SOL     O4    4  -0.092232   0.079664   0.071351
+    1SOL     H5    5  -0.032615   0.146850   0.104429
+    1SOL     H6    6  -0.121979   0.113458  -0.013121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072281   0.065688   0.097455
+    0SOL     H2    2   0.123302   0.136192   0.057601
+    0SOL     H3    3   0.019675   0.109128   0.164596
+    1SOL     O4    4  -0.079052  -0.072180  -0.099257
+    1SOL     H5    5  -0.018845  -0.106508  -0.165280
+    1SOL     H6    6  -0.022178  -0.040278  -0.029187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089092  -0.101586  -0.050670
+    0SOL     H2    2  -0.080493  -0.193610  -0.025768
+    0SOL     H3    3  -0.015374  -0.058130  -0.007782
+    1SOL     O4    4   0.087009   0.099720   0.044169
+    1SOL     H5    5   0.036919   0.104686   0.125586
+    1SOL     H6    6   0.086977   0.189312   0.010470
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026378   0.050405  -0.134854
+    0SOL     H2    2   0.093812   0.117876  -0.126941
+    0SOL     H3    3   0.006931   0.025207  -0.044581
+    1SOL     O4    4  -0.026594  -0.049656   0.123090
+    1SOL     H5    5   0.021691  -0.110879   0.178611
+    1SOL     H6    6  -0.113007  -0.043384   0.163782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065725  -0.122131   0.032091
+    0SOL     H2    2   0.000550  -0.132422   0.100384
+    0SOL     H3    3  -0.029728  -0.168563  -0.043477
+    1SOL     O4    4   0.062548   0.128269  -0.036822
+    1SOL     H5    5   0.081397   0.144189   0.055663
+    1SOL     H6    6   0.003562   0.052883  -0.036662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014494   0.002031  -0.136130
+    0SOL     H2    2  -0.053562  -0.061144  -0.159358
+    0SOL     H3    3   0.056672   0.023543  -0.219321
+    1SOL     O4    4  -0.014925   0.005947   0.144526
+    1SOL     H5    5  -0.043718  -0.081953   0.169162
+    1SOL     H6    6   0.049189  -0.008430   0.074920
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000360   0.059757   0.133317
+    0SOL     H2    2   0.020805   0.031848   0.044235
+    0SOL     H3    3   0.076779   0.036135   0.184832
+    1SOL     O4    4  -0.001971  -0.050960  -0.131868
+    1SOL     H5    5  -0.096924  -0.059222  -0.123039
+    1SOL     H6    6   0.030319  -0.141026  -0.129079
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.103736  -0.090197  -0.030648
+    0SOL     H2    2   0.179527  -0.084288   0.027517
+    0SOL     H3    3   0.051000  -0.161282   0.005798
+    1SOL     O4    4  -0.105255   0.099767   0.021593
+    1SOL     H5    5  -0.039320   0.030655   0.015388
+    1SOL     H6    6  -0.166573   0.068531   0.088127
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006958  -0.096027   0.113684
+    0SOL     H2    2   0.009718  -0.058232   0.027337
+    0SOL     H3    3  -0.077919  -0.042920   0.149830
+    1SOL     O4    4   0.010896   0.084670  -0.112239
+    1SOL     H5    5   0.075958   0.143482  -0.073893
+    1SOL     H6    6  -0.067900   0.138342  -0.120767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.143075  -0.036307  -0.002973
+    0SOL     H2    2  -0.168137  -0.040126  -0.095274
+    0SOL     H3    3  -0.051876  -0.007258  -0.004050
+    1SOL     O4    4   0.132605   0.037002   0.008837
+    1SOL     H5    5   0.197024   0.040092  -0.061894
+    1SOL     H6    6   0.178654  -0.005121   0.081414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020417  -0.072720   0.128542
+    0SOL     H2    2  -0.017367  -0.033548   0.041258
+    0SOL     H3    3   0.029982  -0.012741   0.183540
+    1SOL     O4    4   0.021455   0.066658  -0.120718
+    1SOL     H5    5   0.022268   0.006847  -0.195445
+    1SOL     H6    6  -0.046203   0.130895  -0.142128
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053133   0.109586  -0.087338
+    0SOL     H2    2   0.087397   0.144222  -0.004944
+    0SOL     H3    3  -0.007506   0.040397  -0.060916
+    1SOL     O4    4  -0.046342  -0.104625   0.078002
+    1SOL     H5    5  -0.127697  -0.138360   0.040511
+    1SOL     H6    6  -0.054040  -0.122187   0.171782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.107013  -0.058645  -0.068487
+    0SOL     H2    2   0.090233  -0.152738  -0.073703
+    0SOL     H3    3   0.193682  -0.051908  -0.028419
+    1SOL     O4    4  -0.110560   0.067966   0.072441
+    1SOL     H5    5  -0.186800   0.053267   0.016462
+    1SOL     H6    6  -0.040481   0.017365   0.031321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033769   0.102879  -0.104224
+    0SOL     H2    2   0.009949   0.167108  -0.037369
+    0SOL     H3    3   0.001244   0.019561  -0.070128
+    1SOL     O4    4  -0.035639  -0.098859   0.094863
+    1SOL     H5    5   0.014662  -0.060509   0.166706
+    1SOL     H6    6   0.000444  -0.186925   0.084634
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133801   0.041255  -0.019438
+    0SOL     H2    2  -0.164755   0.059868   0.069206
+    0SOL     H3    3  -0.156483   0.119495  -0.069701
+    1SOL     O4    4   0.142995  -0.046234   0.013905
+    1SOL     H5    5   0.126563  -0.099425   0.091770
+    1SOL     H6    6   0.058137  -0.007051  -0.006738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085115   0.108578   0.057433
+    0SOL     H2    2   0.032511   0.158492   0.119914
+    0SOL     H3    3   0.027059   0.038489   0.027780
+    1SOL     O4    4  -0.082929  -0.104297  -0.055489
+    1SOL     H5    5  -0.065504  -0.084569  -0.147519
+    1SOL     H6    6  -0.027179  -0.179659  -0.036127
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044160   0.125982  -0.048973
+    0SOL     H2    2  -0.026632   0.220015  -0.052574
+    0SOL     H3    3  -0.130167   0.119172  -0.007515
+    1SOL     O4    4   0.044452  -0.137198   0.047188
+    1SOL     H5    5   0.010266  -0.047856   0.050587
+    1SOL     H6    6   0.139050  -0.126340   0.037402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030947  -0.146597   0.008834
+    0SOL     H2    2  -0.016832  -0.056924  -0.021527
+    0SOL     H3    3  -0.047581  -0.196642  -0.071048
+    1SOL     O4    4   0.032268   0.137333  -0.001909
+    1SOL     H5    5   0.004306   0.184571  -0.080324
+    1SOL     H6    6   0.041128   0.205137   0.065072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.082955  -0.068973  -0.093622
+    0SOL     H2    2   0.112899  -0.153590  -0.126873
+    0SOL     H3    3   0.031817  -0.031700  -0.165441
+    1SOL     O4    4  -0.086422   0.071348   0.104835
+    1SOL     H5    5  -0.042882   0.000795   0.056992
+    1SOL     H6    6  -0.049429   0.151634   0.068121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051070   0.128753  -0.034037
+    0SOL     H2    2  -0.115978   0.165394  -0.094093
+    0SOL     H3    3  -0.053636   0.186530   0.042237
+    1SOL     O4    4   0.056253  -0.134074   0.039588
+    1SOL     H5    5   0.002285  -0.072308  -0.009755
+    1SOL     H6    6   0.085496  -0.197784  -0.025590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072032   0.027046   0.133959
+    0SOL     H2    2   0.005658   0.094786   0.146921
+    0SOL     H3    3   0.039825  -0.024239   0.059832
+    1SOL     O4    4  -0.060369  -0.027236  -0.126829
+    1SOL     H5    5  -0.148559  -0.040567  -0.092084
+    1SOL     H6    6  -0.071617  -0.028248  -0.221880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083295  -0.022739   0.126095
+    0SOL     H2    2  -0.020158  -0.002788   0.056972
+    0SOL     H3    3  -0.128941   0.059973   0.141508
+    1SOL     O4    4   0.083164   0.020006  -0.117134
+    1SOL     H5    5   0.021976   0.042304  -0.187284
+    1SOL     H6    6   0.129057  -0.057672  -0.149108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054736  -0.123034  -0.052402
+    0SOL     H2    2  -0.123665  -0.101294  -0.115159
+    0SOL     H3    3  -0.017483  -0.204927  -0.085083
+    1SOL     O4    4   0.061132   0.129552   0.054676
+    1SOL     H5    5   0.022649   0.159026   0.137214
+    1SOL     H6    6   0.016917   0.046784   0.035786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014537   0.051018  -0.140732
+    0SOL     H2    2  -0.109036   0.065682  -0.144884
+    0SOL     H3    3   0.021953   0.136252  -0.116942
+    1SOL     O4    4   0.013516  -0.055423   0.143928
+    1SOL     H5    5   0.012969  -0.037449   0.049913
+    1SOL     H6    6   0.097465  -0.098655   0.159608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111721   0.077922   0.070630
+    0SOL     H2    2  -0.033197   0.048401   0.116725
+    0SOL     H3    3  -0.108604   0.173403   0.076635
+    1SOL     O4    4   0.101927  -0.087225  -0.073410
+    1SOL     H5    5   0.117319  -0.026835  -0.146063
+    1SOL     H6    6   0.164912  -0.060693  -0.006393
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043430  -0.011593  -0.142767
+    0SOL     H2    2  -0.025423  -0.078211  -0.209101
+    0SOL     H3    3  -0.138856  -0.010252  -0.135388
+    1SOL     O4    4   0.045839   0.021435   0.150279
+    1SOL     H5    5   0.105745  -0.046317   0.181635
+    1SOL     H6    6   0.025936  -0.003964   0.060162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071596  -0.145543  -0.029117
+    0SOL     H2    2   0.051387  -0.052245  -0.022098
+    0SOL     H3    3  -0.006756  -0.184194  -0.068224
+    1SOL     O4    4  -0.062225   0.142295   0.024710
+    1SOL     H5    5  -0.044055   0.199961   0.098918
+    1SOL     H6    6  -0.133600   0.086109   0.054893
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102701   0.023890  -0.120297
+    0SOL     H2    2  -0.090201   0.002036  -0.212647
+    0SOL     H3    3  -0.025987   0.076386  -0.097462
+    1SOL     O4    4   0.097860  -0.032752   0.125468
+    1SOL     H5    5   0.156673   0.022506   0.073992
+    1SOL     H6    6   0.031923   0.027658   0.159606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028482   0.137304  -0.089223
+    0SOL     H2    2  -0.055121   0.087522  -0.166518
+    0SOL     H3    3   0.023411   0.075590  -0.037641
+    1SOL     O4    4   0.021838  -0.129247   0.086662
+    1SOL     H5    5   0.105464  -0.167190   0.059655
+    1SOL     H6    6   0.027938  -0.123115   0.181991
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057582  -0.092372  -0.133874
+    0SOL     H2    2   0.088791  -0.121573  -0.048226
+    0SOL     H3    3   0.064562   0.003041  -0.130708
+    1SOL     O4    4  -0.054565   0.089630   0.132636
+    1SOL     H5    5  -0.115871   0.016673   0.141650
+    1SOL     H6    6  -0.084820   0.136964   0.055135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075943   0.092303   0.112478
+    0SOL     H2    2  -0.042862   0.178940   0.136183
+    0SOL     H3    3  -0.077577   0.043833   0.195003
+    1SOL     O4    4   0.073968  -0.101347  -0.120099
+    1SOL     H5    5   0.126955  -0.035613  -0.165196
+    1SOL     H6    6   0.026565  -0.052109  -0.053086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091816  -0.149985  -0.002649
+    0SOL     H2    2   0.055767  -0.062442  -0.016754
+    0SOL     H3    3   0.024835  -0.195598   0.048296
+    1SOL     O4    4  -0.079761   0.148980   0.002168
+    1SOL     H5    5  -0.153064   0.127146   0.059721
+    1SOL     H6    6  -0.117152   0.147488  -0.085934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133387  -0.067660   0.071961
+    0SOL     H2    2  -0.175685  -0.140226   0.026055
+    0SOL     H3    3  -0.169342  -0.071122   0.160604
+    1SOL     O4    4   0.139624   0.071716  -0.067361
+    1SOL     H5    5   0.162460   0.009845  -0.136735
+    1SOL     H6    6   0.087626   0.138974  -0.111347
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139402  -0.057335  -0.102598
+    0SOL     H2    2  -0.120209  -0.077462  -0.011007
+    0SOL     H3    3  -0.059648  -0.081485  -0.149698
+    1SOL     O4    4   0.136903   0.059990   0.093708
+    1SOL     H5    5   0.071492  -0.003160   0.123636
+    1SOL     H6    6   0.142567   0.124085   0.164575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035101   0.162684  -0.064097
+    0SOL     H2    2   0.101857   0.116465  -0.114791
+    0SOL     H3    3   0.076934   0.180397   0.020156
+    1SOL     O4    4  -0.041116  -0.162383   0.068424
+    1SOL     H5    5  -0.097913  -0.101459   0.021258
+    1SOL     H6    6   0.014537  -0.200695   0.000621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128547   0.028543  -0.114072
+    0SOL     H2    2   0.201503   0.042461  -0.174454
+    0SOL     H3    3   0.073938   0.106523  -0.124035
+    1SOL     O4    4  -0.128596  -0.029853   0.113310
+    1SOL     H5    5  -0.066628  -0.057349   0.180884
+    1SOL     H6    6  -0.208591  -0.078667   0.132811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023226  -0.126672  -0.130438
+    0SOL     H2    2   0.038489  -0.197377  -0.193130
+    0SOL     H3    3  -0.027026  -0.061585  -0.179435
+    1SOL     O4    4  -0.023067   0.119865   0.137905
+    1SOL     H5    5   0.027339   0.178350   0.194483
+    1SOL     H6    6  -0.043164   0.172662   0.060633
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.176008  -0.064195   0.005128
+    0SOL     H2    2   0.234724  -0.127591  -0.036050
+    0SOL     H3    3   0.182380  -0.082893   0.098787
+    1SOL     O4    4  -0.184162   0.071092  -0.012562
+    1SOL     H5    5  -0.151510   0.117001   0.064824
+    1SOL     H6    6  -0.140832  -0.014219  -0.009919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039734   0.179599   0.096760
+    0SOL     H2    2   0.081875   0.098767   0.067560
+    0SOL     H3    3   0.007447   0.220239   0.016335
+    1SOL     O4    4  -0.046018  -0.180258  -0.091419
+    1SOL     H5    5   0.020680  -0.151613  -0.153814
+    1SOL     H6    6  -0.010327  -0.156903  -0.005728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033030  -0.193676   0.079325
+    0SOL     H2    2   0.044530  -0.142471   0.056415
+    0SOL     H3    3  -0.083869  -0.197773  -0.001674
+    1SOL     O4    4   0.030321   0.189678  -0.066331
+    1SOL     H5    5   0.084169   0.255889  -0.109676
+    1SOL     H6    6  -0.009323   0.140255  -0.138081
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.048492   0.122425  -0.159299
+    0SOL     H2    2   0.093304   0.174888  -0.092953
+    0SOL     H3    3   0.065523   0.168199  -0.241622
+    1SOL     O4    4  -0.048858  -0.125711   0.166165
+    1SOL     H5    5  -0.026722  -0.201628   0.112231
+    1SOL     H6    6  -0.126351  -0.088278   0.124261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010692  -0.211087   0.051590
+    0SOL     H2    2   0.008100  -0.125914   0.091019
+    0SOL     H3    3  -0.089926  -0.241171   0.096078
+    1SOL     O4    4   0.013750   0.206089  -0.063023
+    1SOL     H5    5   0.021810   0.292630  -0.022923
+    1SOL     H6    6   0.011336   0.145464   0.011011
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041440   0.200045   0.146572
+    0SOL     H2    2  -0.006304   0.124478   0.099482
+    0SOL     H3    3   0.005671   0.200425   0.229896
+    1SOL     O4    4   0.036319  -0.189211  -0.146794
+    1SOL     H5    5   0.054198  -0.268355  -0.096010
+    1SOL     H6    6   0.023151  -0.220573  -0.236267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026029  -0.211826  -0.117268
+    0SOL     H2    2  -0.045865  -0.298362  -0.081484
+    0SOL     H3    3   0.042898  -0.227744  -0.181750
+    1SOL     O4    4   0.022450   0.222572   0.124231
+    1SOL     H5    5   0.096693   0.209029   0.065351
+    1SOL     H6    6  -0.043450   0.159796   0.094590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037708  -0.122353  -0.209747
+    0SOL     H2    2  -0.038943  -0.214805  -0.184977
+    0SOL     H3    3   0.015401  -0.119538  -0.289333
+    1SOL     O4    4   0.039847   0.131368   0.214416
+    1SOL     H5    5  -0.012763   0.077100   0.273148
+    1SOL     H6    6  -0.002974   0.123002   0.129217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044557  -0.000304  -0.258879
+    0SOL     H2    2   0.005972   0.072029  -0.221772
+    0SOL     H3    3  -0.040996  -0.068801  -0.192113
+    1SOL     O4    4   0.043206  -0.005496   0.251005
+    1SOL     H5    5  -0.017794   0.017463   0.321107
+    1SOL     H6    6   0.075314   0.078660   0.218614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092829  -0.235265   0.084141
+    0SOL     H2    2   0.042619  -0.297423   0.136844
+    0SOL     H3    3   0.030541  -0.165621   0.063350
+    1SOL     O4    4  -0.086920   0.240743  -0.088417
+    1SOL     H5    5  -0.049497   0.217217  -0.003515
+    1SOL     H6    6  -0.106735   0.156831  -0.129992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113454  -0.218835   0.093713
+    0SOL     H2    2   0.205754  -0.242215   0.083903
+    0SOL     H3    3   0.067378  -0.277179   0.033419
+    1SOL     O4    4  -0.118236   0.219603  -0.095049
+    1SOL     H5    5  -0.103681   0.188083  -0.005847
+    1SOL     H6    6  -0.090640   0.311234  -0.092925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074009   0.202182  -0.183798
+    0SOL     H2    2  -0.097492   0.231126  -0.095633
+    0SOL     H3    3  -0.112938   0.115086  -0.191628
+    1SOL     O4    4   0.077515  -0.205344   0.177786
+    1SOL     H5    5   0.008317  -0.152796   0.217943
+    1SOL     H6    6   0.148368  -0.143138   0.161275
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062842  -0.249733   0.137098
+    0SOL     H2    2  -0.027442  -0.241276   0.048567
+    0SOL     H3    3  -0.030987  -0.334662   0.167670
+    1SOL     O4    4   0.059302   0.247333  -0.134057
+    1SOL     H5    5   0.026732   0.303277  -0.204568
+    1SOL     H6    6   0.083517   0.308265  -0.064320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064533   0.207041  -0.232895
+    0SOL     H2    2  -0.040469   0.227056  -0.142437
+    0SOL     H3    3  -0.002995   0.138740  -0.259547
+    1SOL     O4    4   0.064429  -0.199244   0.231211
+    1SOL     H5    5   0.075028  -0.294128   0.224354
+    1SOL     H6    6  -0.026508  -0.183363   0.205900
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017302   0.204284   0.252365
+    0SOL     H2    2  -0.078411   0.203360   0.251624
+    0SOL     H3    3   0.042128   0.112199   0.260517
+    1SOL     O4    4  -0.013730  -0.196775  -0.246580
+    1SOL     H5    5  -0.085630  -0.203524  -0.309407
+    1SOL     H6    6   0.063613  -0.224798  -0.295520
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043858  -0.315043   0.093665
+    0SOL     H2    2  -0.132920  -0.348890   0.084464
+    0SOL     H3    3   0.004654  -0.355232   0.021597
+    1SOL     O4    4   0.051023   0.322071  -0.092005
+    1SOL     H5    5   0.055841   0.248882  -0.030502
+    1SOL     H6    6  -0.040723   0.349275  -0.089796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025441   0.334989   0.040661
+    0SOL     H2    2   0.030582   0.340396   0.118085
+    0SOL     H3    3  -0.095096   0.274269   0.065633
+    1SOL     O4    4   0.028201  -0.338108  -0.045724
+    1SOL     H5    5  -0.061679  -0.305313  -0.042825
+    1SOL     H6    6   0.081482  -0.260569  -0.063366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025147   0.322847  -0.120303
+    0SOL     H2    2  -0.033450   0.346083  -0.212788
+    0SOL     H3    3  -0.006124   0.229038  -0.120741
+    1SOL     O4    4   0.024946  -0.318640   0.119475
+    1SOL     H5    5   0.037899  -0.394933   0.175812
+    1SOL     H6    6   0.004796  -0.247265   0.179989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000860   0.371939   0.203126
+    0SOL     H2    2  -0.078516   0.315981   0.202308
+    0SOL     H3    3   0.071677   0.312611   0.183605
+    1SOL     O4    4   0.003407  -0.358618  -0.203106
+    1SOL     H5    5   0.053820  -0.431899  -0.167740
+    1SOL     H6    6  -0.084041  -0.394599  -0.217959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/250K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043000  -0.317003   0.415051
+    0SOL     H2    2   0.115245  -0.305083   0.476703
+    0SOL     H3    3  -0.030335  -0.345960   0.469326
+    1SOL     O4    4  -0.043902   0.311705  -0.423862
+    1SOL     H5    5   0.038838   0.353206  -0.399490
+    1SOL     H6    6  -0.110143   0.378857  -0.407585
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066112  -0.056941   0.102008
+    0SOL     H2    2  -0.043356  -0.147117   0.079365
+    0SOL     H3    3  -0.022560  -0.003751   0.035402
+    1SOL     O4    4   0.056026   0.059558  -0.095862
+    1SOL     H5    5   0.099664  -0.013034  -0.140454
+    1SOL     H6    6   0.126386   0.121389  -0.076147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039570   0.079377   0.101349
+    0SOL     H2    2   0.004318   0.017091   0.037788
+    0SOL     H3    3   0.134409   0.067262   0.096763
+    1SOL     O4    4  -0.043579  -0.071215  -0.090378
+    1SOL     H5    5  -0.061446  -0.164047  -0.105388
+    1SOL     H6    6  -0.019478  -0.037177  -0.176534
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021784  -0.119828  -0.038199
+    0SOL     H2    2  -0.079017  -0.125336  -0.114726
+    0SOL     H3    3   0.063082  -0.151249  -0.069389
+    1SOL     O4    4   0.026005   0.124556   0.046345
+    1SOL     H5    5   0.009485   0.034029   0.019996
+    1SOL     H6    6  -0.057202   0.169459   0.031424
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011343  -0.107788   0.061538
+    0SOL     H2    2   0.049478  -0.181585   0.013978
+    0SOL     H3    3   0.033992  -0.123976   0.153120
+    1SOL     O4    4  -0.014888   0.114276  -0.070779
+    1SOL     H5    5  -0.029908   0.032415  -0.023498
+    1SOL     H6    6  -0.004659   0.180140  -0.002080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077012   0.042838  -0.100524
+    0SOL     H2    2  -0.007973   0.048697  -0.034481
+    0SOL     H3    3  -0.043444   0.092959  -0.174843
+    1SOL     O4    4   0.071954  -0.039368   0.098996
+    1SOL     H5    5   0.118017  -0.116048   0.064928
+    1SOL     H6    6   0.012272  -0.074597   0.165022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026337   0.044708  -0.116629
+    0SOL     H2    2  -0.060103   0.069525  -0.149409
+    0SOL     H3    3   0.085775   0.109736  -0.154055
+    1SOL     O4    4  -0.028069  -0.056568   0.121234
+    1SOL     H5    5   0.001750  -0.011508   0.042223
+    1SOL     H6    6  -0.007061   0.003673   0.192592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107522   0.008589   0.071578
+    0SOL     H2    2  -0.108324  -0.055220   0.142924
+    0SOL     H3    3  -0.178427  -0.019301   0.013640
+    1SOL     O4    4   0.111959   0.001614  -0.077623
+    1SOL     H5    5   0.055068   0.000170  -0.000658
+    1SOL     H6    6   0.166914  -0.076204  -0.068309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073733  -0.094105   0.065024
+    0SOL     H2    2   0.059628  -0.019312   0.006978
+    0SOL     H3    3   0.111316  -0.161597   0.008502
+    1SOL     O4    4  -0.070472   0.092887  -0.053594
+    1SOL     H5    5  -0.057959   0.102907  -0.147962
+    1SOL     H6    6  -0.165409   0.095194  -0.041595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022558   0.116588   0.049961
+    0SOL     H2    2  -0.008098   0.207252   0.051563
+    0SOL     H3    3   0.013605   0.086625   0.140428
+    1SOL     O4    4  -0.017049  -0.125341  -0.052169
+    1SOL     H5    5   0.004911  -0.032646  -0.042796
+    1SOL     H6    6  -0.093582  -0.126178  -0.109652
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008320  -0.101151  -0.081451
+    0SOL     H2    2   0.040339  -0.146839  -0.159231
+    0SOL     H3    3  -0.086204  -0.094268  -0.094873
+    1SOL     O4    4  -0.000051   0.104249   0.090958
+    1SOL     H5    5  -0.076645   0.158056   0.070945
+    1SOL     H6    6  -0.005077   0.031389   0.029083
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018403   0.068435  -0.107845
+    0SOL     H2    2   0.048165   0.067849  -0.198819
+    0SOL     H3    3   0.052251   0.150504  -0.072050
+    1SOL     O4    4  -0.019168  -0.078485   0.114335
+    1SOL     H5    5  -0.094079  -0.024134   0.138759
+    1SOL     H6    6   0.008812  -0.044069   0.029512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127457  -0.003929  -0.057133
+    0SOL     H2    2   0.040980  -0.012213  -0.016939
+    0SOL     H3    3   0.113571   0.053713  -0.132279
+    1SOL     O4    4  -0.119255  -0.003295   0.054453
+    1SOL     H5    5  -0.137805  -0.021084   0.146658
+    1SOL     H6    6  -0.137604   0.090050   0.043856
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076975  -0.023440   0.112259
+    0SOL     H2    2   0.138350   0.049275   0.122646
+    0SOL     H3    3   0.049961  -0.019128   0.020532
+    1SOL     O4    4  -0.073060   0.018153  -0.111420
+    1SOL     H5    5  -0.141294  -0.045171  -0.089138
+    1SOL     H6    6  -0.104795   0.101149  -0.075828
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038518  -0.126495   0.039547
+    0SOL     H2    2   0.019422  -0.032742   0.042377
+    0SOL     H3    3   0.122736  -0.135192   0.084200
+    1SOL     O4    4  -0.039716   0.115585  -0.039451
+    1SOL     H5    5  -0.073202   0.193393   0.005123
+    1SOL     H6    6  -0.048516   0.135653  -0.132629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007890   0.022238  -0.136845
+    0SOL     H2    2  -0.014188   0.023661  -0.043717
+    0SOL     H3    3   0.023014   0.114043  -0.159329
+    1SOL     O4    4  -0.010787  -0.022706   0.127695
+    1SOL     H5    5   0.081849  -0.025620   0.151618
+    1SOL     H6    6  -0.052092  -0.088511   0.183604
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051879  -0.058265   0.103971
+    0SOL     H2    2   0.042022  -0.153455   0.105988
+    0SOL     H3    3   0.141848  -0.042839   0.132777
+    1SOL     O4    4  -0.055651   0.069436  -0.106632
+    1SOL     H5    5  -0.016374   0.009801  -0.042888
+    1SOL     H6    6  -0.116869   0.014868  -0.155999
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024551   0.067164  -0.111202
+    0SOL     H2    2  -0.044755   0.159320  -0.127366
+    0SOL     H3    3   0.068633   0.059098  -0.131552
+    1SOL     O4    4   0.021262  -0.070266   0.120101
+    1SOL     H5    5   0.004385  -0.015608   0.043354
+    1SOL     H6    6   0.021673  -0.159778   0.086193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025354  -0.065849   0.111509
+    0SOL     H2    2  -0.055640  -0.004346   0.178310
+    0SOL     H3    3  -0.098273  -0.126817   0.100194
+    1SOL     O4    4   0.029578   0.071885  -0.116973
+    1SOL     H5    5   0.066007  -0.002513  -0.164934
+    1SOL     H6    6   0.020880   0.040481  -0.026970
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073180   0.087372   0.083285
+    0SOL     H2    2   0.067151   0.153249   0.014103
+    0SOL     H3    3   0.027470   0.011102   0.047846
+    1SOL     O4    4  -0.072844  -0.082910  -0.073006
+    1SOL     H5    5  -0.023070  -0.162954  -0.056336
+    1SOL     H6    6  -0.078544  -0.077623  -0.168409
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126308  -0.013364  -0.063028
+    0SOL     H2    2  -0.135343  -0.100098  -0.023557
+    0SOL     H3    3  -0.032883   0.006396  -0.056421
+    1SOL     O4    4   0.116548   0.012890   0.058224
+    1SOL     H5    5   0.105210   0.098927   0.098615
+    1SOL     H6    6   0.211384   0.000481   0.054404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042562   0.062108  -0.119593
+    0SOL     H2    2  -0.074906   0.146545  -0.088184
+    0SOL     H3    3  -0.015801   0.015655  -0.040294
+    1SOL     O4    4   0.042957  -0.062095   0.105642
+    1SOL     H5    5  -0.030557  -0.073079   0.165952
+    1SOL     H6    6   0.119522  -0.090153   0.155771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033394   0.055780  -0.123433
+    0SOL     H2    2  -0.012357   0.147707  -0.139839
+    0SOL     H3    3   0.012745   0.034720  -0.042254
+    1SOL     O4    4   0.026774  -0.053471   0.119473
+    1SOL     H5    5   0.114412  -0.073228   0.152513
+    1SOL     H6    6  -0.008896  -0.138483   0.093725
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047448   0.086374  -0.088836
+    0SOL     H2    2  -0.020154   0.154083  -0.091634
+    0SOL     H3    3   0.129138   0.134545  -0.075845
+    1SOL     O4    4  -0.052382  -0.098820   0.086391
+    1SOL     H5    5  -0.015019  -0.032326   0.028556
+    1SOL     H6    6  -0.022324  -0.074177   0.173863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002624   0.125967  -0.054512
+    0SOL     H2    2  -0.058495   0.113869  -0.131287
+    0SOL     H3    3  -0.063843   0.135715   0.018423
+    1SOL     O4    4   0.005814  -0.131899   0.054888
+    1SOL     H5    5  -0.026712  -0.041958   0.058784
+    1SOL     H6    6   0.100791  -0.122762   0.047260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018415  -0.138059   0.035973
+    0SOL     H2    2  -0.029017  -0.096846   0.121713
+    0SOL     H3    3  -0.013555  -0.064794  -0.025435
+    1SOL     O4    4   0.014652   0.128509  -0.040954
+    1SOL     H5    5   0.106158   0.143995  -0.064389
+    1SOL     H6    6   0.005845   0.165285   0.046980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083302   0.084823  -0.076325
+    0SOL     H2    2  -0.077000   0.173314  -0.040382
+    0SOL     H3    3  -0.026056   0.032137  -0.020563
+    1SOL     O4    4   0.073560  -0.087554   0.070794
+    1SOL     H5    5   0.124105  -0.027633   0.125721
+    1SOL     H6    6   0.139499  -0.135796   0.020922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097975  -0.093874   0.039587
+    0SOL     H2    2  -0.173801  -0.044336   0.070551
+    0SOL     H3    3  -0.031534  -0.027342   0.021660
+    1SOL     O4    4   0.092116   0.085643  -0.042962
+    1SOL     H5    5   0.117625   0.167359  -0.000134
+    1SOL     H6    6   0.171654   0.032392  -0.042369
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053743   0.036632   0.113907
+    0SOL     H2    2  -0.128055   0.007770   0.166887
+    0SOL     H3    3   0.007828   0.073725   0.177118
+    1SOL     O4    4   0.057335  -0.032748  -0.125823
+    1SOL     H5    5   0.020984  -0.011351  -0.039898
+    1SOL     H6    6   0.047921  -0.127742  -0.132883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075099   0.028920   0.111238
+    0SOL     H2    2   0.036205   0.102708   0.158194
+    0SOL     H3    3   0.141689   0.068617   0.055093
+    1SOL     O4    4  -0.080629  -0.040547  -0.113317
+    1SOL     H5    5  -0.030366  -0.041975  -0.031868
+    1SOL     H6    6  -0.061992   0.045219  -0.151517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047302  -0.105319  -0.072369
+    0SOL     H2    2  -0.042467  -0.088430  -0.166463
+    0SOL     H3    3  -0.140478  -0.118935  -0.055188
+    1SOL     O4    4   0.054167   0.105983   0.082825
+    1SOL     H5    5   0.066775   0.164122   0.007837
+    1SOL     H6    6   0.001070   0.034008   0.048728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017393   0.108148   0.085457
+    0SOL     H2    2   0.025356   0.168560   0.011637
+    0SOL     H3    3  -0.074353   0.114617   0.111972
+    1SOL     O4    4  -0.015687  -0.114978  -0.088365
+    1SOL     H5    5   0.061997  -0.146150  -0.041935
+    1SOL     H6    6  -0.043257  -0.037361  -0.039602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012654  -0.085352  -0.113935
+    0SOL     H2    2  -0.017890  -0.021015  -0.049981
+    0SOL     H3    3   0.024529  -0.035224  -0.194610
+    1SOL     O4    4  -0.012924   0.074157   0.111334
+    1SOL     H5    5   0.006330   0.070174   0.205013
+    1SOL     H6    6  -0.007325   0.167213   0.089619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073223  -0.083551   0.090507
+    0SOL     H2    2  -0.035503  -0.030848   0.020065
+    0SOL     H3    3  -0.165296  -0.093558   0.066328
+    1SOL     O4    4   0.069834   0.080919  -0.085184
+    1SOL     H5    5   0.131133   0.019714  -0.125912
+    1SOL     H6    6   0.125635   0.145574  -0.041960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076451  -0.031135  -0.108793
+    0SOL     H2    2   0.096812  -0.124211  -0.117995
+    0SOL     H3    3   0.161258   0.010606  -0.093705
+    1SOL     O4    4  -0.088244   0.034367   0.107431
+    1SOL     H5    5  -0.022888   0.007709   0.042777
+    1SOL     H6    6  -0.037758   0.051509   0.186927
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007444   0.101394  -0.089005
+    0SOL     H2    2   0.078379   0.108523  -0.152877
+    0SOL     H3    3   0.005407   0.186770  -0.045773
+    1SOL     O4    4  -0.006682  -0.111625   0.089488
+    1SOL     H5    5  -0.078046  -0.104302   0.152859
+    1SOL     H6    6  -0.013161  -0.032011   0.036743
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009176  -0.050036  -0.125946
+    0SOL     H2    2  -0.088845  -0.102067  -0.115559
+    0SOL     H3    3  -0.021831  -0.002953  -0.208319
+    1SOL     O4    4   0.015956   0.056970   0.131094
+    1SOL     H5    5   0.055528  -0.005673   0.070494
+    1SOL     H6    6  -0.052992   0.007377   0.175242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065584   0.075030   0.101247
+    0SOL     H2    2   0.010558   0.003170   0.070091
+    0SOL     H3    3   0.038313   0.088532   0.192001
+    1SOL     O4    4  -0.057127  -0.076600  -0.100625
+    1SOL     H5    5  -0.149744  -0.054214  -0.091498
+    1SOL     H6    6  -0.026692  -0.023336  -0.174103
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060832  -0.118808   0.021953
+    0SOL     H2    2  -0.139114  -0.173169   0.013054
+    0SOL     H3    3   0.011887  -0.178245   0.003477
+    1SOL     O4    4   0.063008   0.127337  -0.026739
+    1SOL     H5    5   0.086632   0.174691   0.053022
+    1SOL     H6    6   0.008915   0.054484   0.003735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044373   0.118956   0.048796
+    0SOL     H2    2   0.138542   0.110402   0.063675
+    0SOL     H3    3   0.013411   0.173036   0.121454
+    1SOL     O4    4  -0.053643  -0.120247  -0.057543
+    1SOL     H5    5  -0.010987  -0.205028  -0.045100
+    1SOL     H6    6  -0.001200  -0.059166  -0.005763
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.142010   0.000445  -0.022176
+    0SOL     H2    2  -0.056393   0.016326   0.017572
+    0SOL     H3    3  -0.204547   0.015553   0.048697
+    1SOL     O4    4   0.138068   0.001457   0.020320
+    1SOL     H5    5   0.170301   0.031425  -0.064681
+    1SOL     H6    6   0.152577  -0.093154   0.019490
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040908  -0.128070   0.019525
+    0SOL     H2    2   0.134321  -0.117150   0.037329
+    0SOL     H3    3   0.027171  -0.222792   0.020671
+    1SOL     O4    4  -0.045045   0.135444  -0.026255
+    1SOL     H5    5  -0.066308   0.179313   0.056121
+    1SOL     H6    6  -0.030113   0.044149  -0.001668
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035222  -0.050494   0.121440
+    0SOL     H2    2   0.025280  -0.026589   0.191657
+    0SOL     H3    3  -0.117261  -0.070867   0.166349
+    1SOL     O4    4   0.034624   0.050476  -0.134080
+    1SOL     H5    5   0.114845   0.087859  -0.097619
+    1SOL     H6    6  -0.009836   0.011177  -0.058972
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016996  -0.144935  -0.029317
+    0SOL     H2    2  -0.046330  -0.148749   0.061718
+    0SOL     H3    3   0.003271  -0.052568  -0.044150
+    1SOL     O4    4   0.016516   0.137628   0.018464
+    1SOL     H5    5   0.096814   0.139589   0.070528
+    1SOL     H6    6  -0.050230   0.175204   0.075869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046104   0.120896   0.064270
+    0SOL     H2    2  -0.049240   0.140181   0.157975
+    0SOL     H3    3  -0.029374   0.026761   0.059689
+    1SOL     O4    4   0.049687  -0.111271  -0.068314
+    1SOL     H5    5  -0.008639  -0.123408  -0.143235
+    1SOL     H6    6   0.035148  -0.188602  -0.013808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.107021   0.012740   0.102015
+    0SOL     H2    2   0.157193   0.085956   0.066175
+    0SOL     H3    3   0.042193  -0.007265   0.034491
+    1SOL     O4    4  -0.099620  -0.015499  -0.097625
+    1SOL     H5    5  -0.166431  -0.076961  -0.127974
+    1SOL     H6    6  -0.142179   0.033347  -0.027162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099684  -0.097052  -0.010930
+    0SOL     H2    2  -0.169965  -0.128451   0.045964
+    0SOL     H3    3  -0.144870  -0.060959  -0.087205
+    1SOL     O4    4   0.113485   0.095563   0.011217
+    1SOL     H5    5   0.072034   0.175261   0.044267
+    1SOL     H6    6   0.040658   0.035626  -0.005095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014608  -0.101813   0.106650
+    0SOL     H2    2   0.042319  -0.081051   0.180748
+    0SOL     H3    3   0.001092  -0.031315   0.043834
+    1SOL     O4    4   0.006873   0.092960  -0.102953
+    1SOL     H5    5   0.034361   0.068833  -0.191409
+    1SOL     H6    6   0.043117   0.180542  -0.089609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022569   0.149800  -0.001895
+    0SOL     H2    2   0.061110   0.132075   0.041070
+    0SOL     H3    3  -0.061889   0.063431  -0.014411
+    1SOL     O4    4   0.020904  -0.138407   0.004323
+    1SOL     H5    5   0.070352  -0.158580  -0.075114
+    1SOL     H6    6  -0.041729  -0.210326   0.012517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031076  -0.132366  -0.031322
+    0SOL     H2    2   0.119408  -0.162663  -0.052342
+    0SOL     H3    3  -0.025777  -0.180717  -0.091258
+    1SOL     O4    4  -0.029796   0.142710   0.039944
+    1SOL     H5    5   0.013751   0.062762   0.010375
+    1SOL     H6    6  -0.120191   0.133320   0.009896
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061246   0.120606  -0.039459
+    0SOL     H2    2  -0.089666   0.187628   0.022691
+    0SOL     H3    3   0.004528   0.164352  -0.093519
+    1SOL     O4    4   0.055768  -0.133300   0.041827
+    1SOL     H5    5   0.132090  -0.128366  -0.015732
+    1SOL     H6    6   0.029671  -0.042146   0.054947
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071659   0.112660   0.063524
+    0SOL     H2    2   0.007181   0.042768   0.052565
+    0SOL     H3    3   0.043260   0.159409   0.142076
+    1SOL     O4    4  -0.061902  -0.111424  -0.062177
+    1SOL     H5    5  -0.047718  -0.141010  -0.152098
+    1SOL     H6    6  -0.152131  -0.079482  -0.061373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068183   0.073197  -0.114531
+    0SOL     H2    2  -0.141531   0.011877  -0.119247
+    0SOL     H3    3  -0.010269   0.036259  -0.047868
+    1SOL     O4    4   0.071434  -0.060857   0.109492
+    1SOL     H5    5  -0.012998  -0.086475   0.146605
+    1SOL     H6    6   0.116902  -0.143632   0.093897
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035814   0.147919  -0.005158
+    0SOL     H2    2   0.023071   0.053174  -0.009987
+    0SOL     H3    3  -0.041460   0.184741  -0.047998
+    1SOL     O4    4  -0.026807  -0.140762   0.003407
+    1SOL     H5    5  -0.120064  -0.131383   0.022836
+    1SOL     H6    6   0.001927  -0.213713   0.058316
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067427   0.131927   0.003659
+    0SOL     H2    2  -0.056844   0.153253   0.096371
+    0SOL     H3    3  -0.000820   0.184373  -0.040785
+    1SOL     O4    4   0.061023  -0.142000  -0.003442
+    1SOL     H5    5   0.010339  -0.062796  -0.021338
+    1SOL     H6    6   0.145030  -0.127045  -0.046817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.105074   0.065409   0.091696
+    0SOL     H2    2  -0.057871   0.123895   0.150971
+    0SOL     H3    3  -0.036592   0.024409   0.038861
+    1SOL     O4    4   0.096715  -0.059479  -0.091251
+    1SOL     H5    5   0.045487  -0.128728  -0.132994
+    1SOL     H6    6   0.177491  -0.102743  -0.063579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079271  -0.118722  -0.056746
+    0SOL     H2    2  -0.048927  -0.046939  -0.001171
+    0SOL     H3    3  -0.102957  -0.188239   0.004644
+    1SOL     O4    4   0.076720   0.114599   0.055463
+    1SOL     H5    5   0.150307   0.102333  -0.004510
+    1SOL     H6    6   0.038734   0.198676   0.029962
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039934   0.055373   0.130741
+    0SOL     H2    2   0.125225   0.013300   0.141585
+    0SOL     H3    3  -0.000072   0.051259   0.217602
+    1SOL     O4    4  -0.041162  -0.059274  -0.137238
+    1SOL     H5    5   0.002174  -0.001873  -0.074076
+    1SOL     H6    6  -0.106017  -0.003319  -0.179960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067366   0.131391   0.013376
+    0SOL     H2    2   0.035043   0.186283  -0.058070
+    0SOL     H3    3   0.162017   0.127438  -0.000331
+    1SOL     O4    4  -0.070093  -0.139265  -0.012620
+    1SOL     H5    5  -0.120559  -0.142317   0.068659
+    1SOL     H6    6  -0.036806  -0.049619  -0.016848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113963  -0.106033  -0.006571
+    0SOL     H2    2   0.067722  -0.103831   0.077209
+    0SOL     H3    3   0.049929  -0.141222  -0.068408
+    1SOL     O4    4  -0.106748   0.113702   0.008963
+    1SOL     H5    5  -0.071287   0.094805  -0.077914
+    1SOL     H6    6  -0.154734   0.034459   0.033054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083733   0.047331  -0.118518
+    0SOL     H2    2   0.161978  -0.007738  -0.115819
+    0SOL     H3    3   0.095642   0.109486  -0.046704
+    1SOL     O4    4  -0.084393  -0.051610   0.116756
+    1SOL     H5    5  -0.093034  -0.015327   0.028601
+    1SOL     H6    6  -0.161487  -0.019553   0.163565
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002637   0.124374   0.098017
+    0SOL     H2    2   0.014906   0.048623   0.042192
+    0SOL     H3    3  -0.037082   0.086960   0.179110
+    1SOL     O4    4   0.004816  -0.111477  -0.095862
+    1SOL     H5    5  -0.067369  -0.129411  -0.156112
+    1SOL     H6    6   0.058828  -0.190442  -0.098942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074823   0.132784  -0.019077
+    0SOL     H2    2   0.002002   0.184146   0.005864
+    0SOL     H3    3  -0.140988   0.155260   0.046340
+    1SOL     O4    4   0.078948  -0.140340   0.018430
+    1SOL     H5    5   0.039532  -0.175712  -0.061304
+    1SOL     H6    6   0.044484  -0.051264   0.024760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111228   0.028239  -0.102792
+    0SOL     H2    2   0.099380   0.115179  -0.064539
+    0SOL     H3    3   0.126291   0.044816  -0.195854
+    1SOL     O4    4  -0.117472  -0.036063   0.106618
+    1SOL     H5    5  -0.040348  -0.088018   0.129309
+    1SOL     H6    6  -0.082011   0.047346   0.075834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075975  -0.118772   0.085683
+    0SOL     H2    2  -0.006195  -0.129636   0.021068
+    0SOL     H3    3  -0.125441  -0.042771   0.055036
+    1SOL     O4    4   0.069185   0.116059  -0.082909
+    1SOL     H5    5   0.116147   0.169312  -0.018715
+    1SOL     H6    6   0.123603   0.038071  -0.093808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066409   0.086221   0.109787
+    0SOL     H2    2   0.063449   0.131779   0.193918
+    0SOL     H3    3   0.137210   0.022534   0.119460
+    1SOL     O4    4  -0.065465  -0.087140  -0.118806
+    1SOL     H5    5  -0.160105  -0.098509  -0.127532
+    1SOL     H6    6  -0.054540  -0.038949  -0.036827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054468   0.040502   0.152800
+    0SOL     H2    2  -0.019140   0.018547   0.095685
+    0SOL     H3    3   0.130580   0.001290   0.110003
+    1SOL     O4    4  -0.054325  -0.038234  -0.140889
+    1SOL     H5    5  -0.036790   0.045800  -0.183235
+    1SOL     H6    6  -0.075330  -0.097539  -0.213028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013730   0.112610   0.121287
+    0SOL     H2    2  -0.068577   0.102840   0.169166
+    0SOL     H3    3   0.011387   0.043439   0.055165
+    1SOL     O4    4  -0.006706  -0.111381  -0.115126
+    1SOL     H5    5  -0.097950  -0.083823  -0.123917
+    1SOL     H6    6   0.033914  -0.086756  -0.198228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005924  -0.083619  -0.148603
+    0SOL     H2    2   0.058403  -0.044907  -0.207981
+    0SOL     H3    3  -0.005496  -0.026202  -0.072018
+    1SOL     O4    4   0.002500   0.072217   0.145341
+    1SOL     H5    5   0.011301   0.156927   0.101649
+    1SOL     H6    6  -0.011089   0.094064   0.237538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021266  -0.147181   0.083793
+    0SOL     H2    2   0.055139  -0.178413   0.167695
+    0SOL     H3    3   0.027446  -0.051826   0.089416
+    1SOL     O4    4  -0.026804   0.138578  -0.086736
+    1SOL     H5    5   0.065973   0.143650  -0.109736
+    1SOL     H6    6  -0.061075   0.225886  -0.105844
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111389   0.118072   0.086759
+    0SOL     H2    2   0.048018   0.048106   0.070912
+    0SOL     H3    3   0.082394   0.158664   0.168452
+    1SOL     O4    4  -0.106608  -0.120044  -0.084313
+    1SOL     H5    5  -0.164792  -0.050036  -0.113905
+    1SOL     H6    6  -0.043875  -0.130931  -0.155786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094450   0.013083   0.164540
+    0SOL     H2    2   0.083622   0.010906   0.069459
+    0SOL     H3    3   0.120692  -0.075995   0.187751
+    1SOL     O4    4  -0.093061  -0.009260  -0.153899
+    1SOL     H5    5  -0.130044  -0.070696  -0.217303
+    1SOL     H6    6  -0.095198   0.075421  -0.198474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008357   0.192898   0.035450
+    0SOL     H2    2   0.050039   0.129411   0.093711
+    0SOL     H3    3  -0.007275   0.144437  -0.045603
+    1SOL     O4    4  -0.014658  -0.182622  -0.030244
+    1SOL     H5    5   0.003630  -0.276414  -0.024674
+    1SOL     H6    6   0.046240  -0.150197  -0.096594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.175161   0.048697  -0.084074
+    0SOL     H2    2   0.232650  -0.024790  -0.062699
+    0SOL     H3    3   0.129681   0.068210  -0.002140
+    1SOL     O4    4  -0.180311  -0.047471   0.082932
+    1SOL     H5    5  -0.106473   0.013013   0.090142
+    1SOL     H6    6  -0.180239  -0.074596  -0.008864
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021570   0.175106  -0.109292
+    0SOL     H2    2   0.059219   0.089825  -0.131018
+    0SOL     H3    3  -0.064333   0.154702  -0.072324
+    1SOL     O4    4  -0.018411  -0.168857   0.102479
+    1SOL     H5    5  -0.081572  -0.227899   0.143552
+    1SOL     H6    6   0.025156  -0.125506   0.175861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004132   0.052920   0.221817
+    0SOL     H2    2  -0.086500   0.022134   0.221218
+    0SOL     H3    3   0.050176  -0.006870   0.162932
+    1SOL     O4    4   0.003068  -0.043855  -0.219307
+    1SOL     H5    5  -0.080472  -0.030756  -0.174453
+    1SOL     H6    6  -0.000691  -0.134031  -0.251188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125431  -0.183995  -0.042054
+    0SOL     H2    2   0.083065  -0.240030   0.022965
+    0SOL     H3    3   0.065972  -0.185077  -0.117059
+    1SOL     O4    4  -0.119473   0.194115   0.041747
+    1SOL     H5    5  -0.105397   0.140128   0.119525
+    1SOL     H6    6  -0.138797   0.131329  -0.027872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016279   0.249052   0.059376
+    0SOL     H2    2  -0.074673   0.211684  -0.006625
+    0SOL     H3    3  -0.003540   0.178532   0.122835
+    1SOL     O4    4   0.014535  -0.246208  -0.063095
+    1SOL     H5    5   0.023637  -0.247644   0.032181
+    1SOL     H6    6   0.079828  -0.182684  -0.092486
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081711   0.083613  -0.225705
+    0SOL     H2    2   0.134142   0.092140  -0.146077
+    0SOL     H3    3   0.086441  -0.009424  -0.247704
+    1SOL     O4    4  -0.083835  -0.076512   0.216808
+    1SOL     H5    5  -0.165754  -0.091436   0.264019
+    1SOL     H6    6  -0.015582  -0.104981   0.277581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.048021   0.266894   0.009263
+    0SOL     H2    2  -0.019584   0.237651  -0.051866
+    0SOL     H3    3   0.105950   0.321855  -0.043518
+    1SOL     O4    4  -0.049644  -0.274644  -0.003858
+    1SOL     H5    5  -0.102206  -0.196050  -0.018772
+    1SOL     H6    6   0.037440  -0.241480   0.018024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070023  -0.277007  -0.047943
+    0SOL     H2    2  -0.020657  -0.198829  -0.023170
+    0SOL     H3    3  -0.160126  -0.257704  -0.022036
+    1SOL     O4    4   0.069575   0.265304   0.046691
+    1SOL     H5    5   0.048192   0.352228   0.080590
+    1SOL     H6    6   0.139340   0.280867  -0.016972
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061093   0.144721  -0.255526
+    0SOL     H2    2   0.027178   0.165654  -0.286060
+    0SOL     H3    3  -0.074205   0.201282  -0.179425
+    1SOL     O4    4   0.055361  -0.154464   0.248739
+    1SOL     H5    5  -0.005555  -0.093951   0.291043
+    1SOL     H6    6   0.141971  -0.124703   0.276582
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.167100   0.244257   0.047524
+    0SOL     H2    2   0.197582   0.229462   0.137046
+    0SOL     H3    3   0.238353   0.212098  -0.007712
+    1SOL     O4    4  -0.175627  -0.243140  -0.043209
+    1SOL     H5    5  -0.089141  -0.266487  -0.076933
+    1SOL     H6    6  -0.217015  -0.194791  -0.114705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137840  -0.263109   0.156424
+    0SOL     H2    2  -0.209538  -0.287005   0.215167
+    0SOL     H3    3  -0.093205  -0.191157   0.201068
+    1SOL     O4    4   0.138818   0.254541  -0.158176
+    1SOL     H5    5   0.090530   0.335062  -0.139548
+    1SOL     H6    6   0.190160   0.274890  -0.236357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014940   0.266248  -0.237348
+    0SOL     H2    2   0.054142   0.181000  -0.218419
+    0SOL     H3    3  -0.052864   0.247595  -0.302287
+    1SOL     O4    4  -0.014573  -0.265958   0.243027
+    1SOL     H5    5  -0.059249  -0.232437   0.165292
+    1SOL     H6    6   0.050302  -0.198847   0.264233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021022   0.113183  -0.343798
+    0SOL     H2    2  -0.008123   0.093745  -0.254719
+    0SOL     H3    3   0.078440   0.040115  -0.366744
+    1SOL     O4    4  -0.018543  -0.107530   0.335031
+    1SOL     H5    5  -0.091687  -0.168644   0.343823
+    1SOL     H6    6  -0.018622  -0.058058   0.416976
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079293  -0.174032  -0.331851
+    0SOL     H2    2  -0.064470  -0.144851  -0.421802
+    0SOL     H3    3   0.007661  -0.197894  -0.299725
+    1SOL     O4    4   0.077125   0.168391   0.333013
+    1SOL     H5    5   0.017665   0.224536   0.283268
+    1SOL     H6    6   0.076463   0.205097   0.421413
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061662  -0.209404   0.352719
+    0SOL     H2    2   0.007939  -0.135808   0.323397
+    0SOL     H3    3   0.151337  -0.175992   0.350622
+    1SOL     O4    4  -0.061177   0.197963  -0.347097
+    1SOL     H5    5  -0.144534   0.199717  -0.394117
+    1SOL     H6    6  -0.021768   0.283354  -0.364921
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051672   0.303345  -0.282475
+    0SOL     H2    2   0.112459   0.341214  -0.218968
+    0SOL     H3    3  -0.026471   0.358316  -0.276631
+    1SOL     O4    4  -0.046297  -0.304392   0.275571
+    1SOL     H5    5  -0.035565  -0.398598   0.288705
+    1SOL     H6    6  -0.133442  -0.285113   0.310160
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016287   0.016998  -0.420121
+    0SOL     H2    2   0.019663  -0.078606  -0.423397
+    0SOL     H3    3  -0.073098   0.036915  -0.392264
+    1SOL     O4    4  -0.017499  -0.014875   0.416677
+    1SOL     H5    5   0.001070   0.048496   0.485970
+    1SOL     H6    6   0.068664  -0.039947   0.383366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/260K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053216   0.368313   0.215513
+    0SOL     H2    2  -0.078272   0.352911   0.306603
+    0SOL     H3    3   0.041438   0.382199   0.218678
+    1SOL     O4    4   0.043804  -0.365205  -0.217086
+    1SOL     H5    5   0.046664  -0.450354  -0.260720
+    1SOL     H6    6   0.132510  -0.330470  -0.226408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001932  -0.095229   0.083147
+    0SOL     H2    2  -0.097388  -0.099927   0.077823
+    0SOL     H3    3   0.028815  -0.145576   0.007767
+    1SOL     O4    4   0.000337   0.099468  -0.082563
+    1SOL     H5    5   0.084544   0.144713  -0.077620
+    1SOL     H6    6   0.004666   0.033117  -0.013708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099358  -0.077709   0.025317
+    0SOL     H2    2   0.135941  -0.080078   0.113739
+    0SOL     H3    3   0.037264  -0.004882   0.026979
+    1SOL     O4    4  -0.092863   0.077369  -0.026975
+    1SOL     H5    5  -0.161755   0.022508   0.010529
+    1SOL     H6    6  -0.106968   0.072325  -0.121515
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065528   0.086652  -0.080956
+    0SOL     H2    2  -0.000861   0.023485  -0.049483
+    0SOL     H3    3  -0.138414   0.079086  -0.019372
+    1SOL     O4    4   0.068451  -0.080122   0.068383
+    1SOL     H5    5   0.071805  -0.031688   0.150876
+    1SOL     H6    6   0.023317  -0.161654   0.090241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037169  -0.025659  -0.116259
+    0SOL     H2    2  -0.124122  -0.037490  -0.154489
+    0SOL     H3    3   0.009327  -0.106759  -0.136829
+    1SOL     O4    4   0.038049   0.031244   0.126268
+    1SOL     H5    5  -0.010208  -0.014044   0.057112
+    1SOL     H6    6   0.113049   0.070405   0.081504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079161   0.071254   0.087110
+    0SOL     H2    2   0.024598   0.099229   0.160612
+    0SOL     H3    3   0.017799   0.031109   0.025584
+    1SOL     O4    4  -0.065917  -0.068413  -0.086001
+    1SOL     H5    5  -0.135615  -0.011950  -0.119416
+    1SOL     H6    6  -0.105941  -0.155183  -0.080392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055570  -0.117793   0.019363
+    0SOL     H2    2   0.008701  -0.139280   0.086963
+    0SOL     H3    3  -0.045936  -0.187204  -0.045841
+    1SOL     O4    4   0.057182   0.123918  -0.022158
+    1SOL     H5    5   0.002889   0.191529   0.018381
+    1SOL     H6    6   0.006761   0.043221  -0.011762
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033479   0.014491   0.133859
+    0SOL     H2    2   0.010728   0.000174   0.041991
+    0SOL     H3    3  -0.008209  -0.057972   0.180481
+    1SOL     O4    4  -0.026657  -0.013404  -0.127349
+    1SOL     H5    5   0.008661   0.072293  -0.151245
+    1SOL     H6    6  -0.111459  -0.017584  -0.171547
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069349   0.072442   0.082404
+    0SOL     H2    2   0.158458   0.106480   0.090358
+    0SOL     H3    3   0.027976   0.093716   0.166058
+    1SOL     O4    4  -0.075151  -0.080770  -0.085075
+    1SOL     H5    5  -0.065052  -0.049758  -0.175067
+    1SOL     H6    6  -0.028499  -0.016162  -0.032049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056561   0.115839  -0.008099
+    0SOL     H2    2  -0.014433   0.178273  -0.023068
+    0SOL     H3    3   0.133708   0.170420   0.007119
+    1SOL     O4    4  -0.056509  -0.129193   0.009334
+    1SOL     H5    5   0.008466  -0.060071   0.022086
+    1SOL     H6    6  -0.132913  -0.084000  -0.026476
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095549  -0.072966   0.056536
+    0SOL     H2    2   0.142777  -0.038616   0.132378
+    0SOL     H3    3   0.031650  -0.133835   0.093606
+    1SOL     O4    4  -0.096234   0.080101  -0.066586
+    1SOL     H5    5  -0.154917   0.008218  -0.043101
+    1SOL     H6    6  -0.011745   0.055360  -0.029011
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014701   0.016846  -0.138599
+    0SOL     H2    2   0.010358   0.014347  -0.043011
+    0SOL     H3    3  -0.072169  -0.011288  -0.167313
+    1SOL     O4    4  -0.010605  -0.014519   0.128609
+    1SOL     H5    5   0.054146   0.027231   0.185411
+    1SOL     H6    6  -0.061919  -0.069948   0.187404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019408  -0.115638  -0.061292
+    0SOL     H2    2   0.038983  -0.152937  -0.127334
+    0SOL     H3    3  -0.008418  -0.172193   0.015148
+    1SOL     O4    4   0.021749   0.123842   0.061638
+    1SOL     H5    5  -0.063816   0.162013   0.081230
+    1SOL     H6    6   0.002084   0.035341   0.030928
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140977   0.009585  -0.006666
+    0SOL     H2    2   0.155198  -0.051544   0.065606
+    0SOL     H3    3   0.047514   0.002476  -0.026073
+    1SOL     O4    4  -0.133754  -0.010120  -0.000800
+    1SOL     H5    5  -0.170884   0.075536  -0.021934
+    1SOL     H6    6  -0.143813  -0.017891   0.094072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112031  -0.044111   0.075036
+    0SOL     H2    2   0.030351  -0.017254   0.032971
+    0SOL     H3    3   0.176270  -0.045400   0.004085
+    1SOL     O4    4  -0.105601   0.038954  -0.065714
+    1SOL     H5    5  -0.195211   0.008179  -0.079328
+    1SOL     H6    6  -0.106274   0.129407  -0.097020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005800   0.031810   0.138091
+    0SOL     H2    2   0.010379  -0.012190   0.054637
+    0SOL     H3    3  -0.101171   0.037012   0.144385
+    1SOL     O4    4   0.010708  -0.034581  -0.129118
+    1SOL     H5    5   0.082327   0.025182  -0.150597
+    1SOL     H6    6  -0.061367  -0.006998  -0.185746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037934  -0.059878   0.112399
+    0SOL     H2    2   0.097930  -0.134272   0.107077
+    0SOL     H3    3  -0.042438  -0.096459   0.149340
+    1SOL     O4    4  -0.036494   0.063120  -0.120370
+    1SOL     H5    5  -0.021009   0.027449  -0.032905
+    1SOL     H6    6  -0.054053   0.156053  -0.105625
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078633  -0.109514   0.042395
+    0SOL     H2    2  -0.167731  -0.078051   0.057687
+    0SOL     H3    3  -0.030980  -0.032508   0.011385
+    1SOL     O4    4   0.076564   0.097887  -0.038954
+    1SOL     H5    5   0.169059   0.111786  -0.018616
+    1SOL     H6    6   0.054822   0.167697  -0.100729
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057840   0.125175   0.042295
+    0SOL     H2    2   0.028384   0.037420   0.066661
+    0SOL     H3    3   0.030291   0.135302  -0.048814
+    1SOL     O4    4  -0.055927  -0.114283  -0.035605
+    1SOL     H5    5   0.014081  -0.135447  -0.097356
+    1SOL     H6    6  -0.100236  -0.197693  -0.020051
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032882   0.137180  -0.005840
+    0SOL     H2    2  -0.003044   0.049042   0.004326
+    0SOL     H3    3   0.019248   0.178627   0.079358
+    1SOL     O4    4  -0.026556  -0.129314  -0.001575
+    1SOL     H5    5   0.004623  -0.209738   0.039925
+    1SOL     H6    6  -0.121343  -0.140902  -0.008172
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054604   0.101956  -0.084627
+    0SOL     H2    2   0.016026   0.060105  -0.007669
+    0SOL     H3    3   0.006820   0.064664  -0.158710
+    1SOL     O4    4  -0.050453  -0.091140   0.087319
+    1SOL     H5    5  -0.118130  -0.153499   0.060984
+    1SOL     H6    6   0.031856  -0.132958   0.062045
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086109   0.084688   0.056605
+    0SOL     H2    2  -0.036595   0.148815   0.005629
+    0SOL     H3    3  -0.115180   0.132867   0.134039
+    1SOL     O4    4   0.082389  -0.096021  -0.062603
+    1SOL     H5    5   0.168827  -0.055419  -0.069102
+    1SOL     H6    6   0.043158  -0.056607   0.015307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054023  -0.006600   0.132092
+    0SOL     H2    2  -0.011761   0.002320   0.046671
+    0SOL     H3    3  -0.122933  -0.071547   0.118109
+    1SOL     O4    4   0.049851   0.009207  -0.122627
+    1SOL     H5    5   0.097278   0.090512  -0.140021
+    1SOL     H6    6   0.102869  -0.058846  -0.164103
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119755   0.072522  -0.026710
+    0SOL     H2    2   0.025128   0.059702  -0.020097
+    0SOL     H3    3   0.152203   0.058050   0.062172
+    1SOL     O4    4  -0.114879  -0.065099   0.017451
+    1SOL     H5    5  -0.145415  -0.149764  -0.015132
+    1SOL     H6    6  -0.109369  -0.076468   0.112333
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017938   0.040553  -0.136425
+    0SOL     H2    2   0.035551   0.034005  -0.042568
+    0SOL     H3    3   0.002245  -0.049678  -0.164251
+    1SOL     O4    4  -0.013290  -0.031614   0.129871
+    1SOL     H5    5  -0.093008   0.003845   0.169241
+    1SOL     H6    6  -0.020818  -0.126317   0.141575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000519  -0.089151  -0.110805
+    0SOL     H2    2   0.090323  -0.094025  -0.140573
+    0SOL     H3    3   0.002525  -0.032650  -0.033599
+    1SOL     O4    4  -0.008760   0.088596   0.104076
+    1SOL     H5    5  -0.024743   0.028225   0.176617
+    1SOL     H6    6   0.084455   0.109442   0.110295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012319  -0.063390  -0.122061
+    0SOL     H2    2   0.015655   0.016860  -0.174130
+    0SOL     H3    3  -0.079863  -0.089132  -0.123525
+    1SOL     O4    4  -0.005568   0.059993   0.132306
+    1SOL     H5    5   0.004032  -0.005580   0.063238
+    1SOL     H6    6  -0.043921   0.135820   0.088244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018096  -0.130135   0.019831
+    0SOL     H2    2  -0.044309  -0.167792   0.081878
+    0SOL     H3    3   0.096686  -0.183973   0.029177
+    1SOL     O4    4  -0.024698   0.140022  -0.023837
+    1SOL     H5    5   0.066188   0.164467  -0.041285
+    1SOL     H6    6  -0.022002   0.045209  -0.010972
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081039  -0.092022  -0.050575
+    0SOL     H2    2   0.047262  -0.168703  -0.096852
+    0SOL     H3    3   0.175966  -0.097127  -0.061764
+    1SOL     O4    4  -0.087436   0.097398   0.060154
+    1SOL     H5    5  -0.088212   0.160551  -0.011773
+    1SOL     H6    6  -0.036425   0.023610   0.026754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108455  -0.002995   0.092202
+    0SOL     H2    2  -0.116089   0.080446   0.138480
+    0SOL     H3    3  -0.064926   0.019119   0.009871
+    1SOL     O4    4   0.102845   0.000859  -0.093784
+    1SOL     H5    5   0.157679   0.022069  -0.018248
+    1SOL     H6    6   0.108453  -0.094383  -0.101523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020716  -0.053219  -0.132581
+    0SOL     H2    2  -0.011766  -0.019508  -0.049089
+    0SOL     H3    3   0.085659  -0.119175  -0.108198
+    1SOL     O4    4  -0.025522   0.053552   0.120941
+    1SOL     H5    5   0.037461   0.122814   0.140897
+    1SOL     H6    6  -0.032413   0.003268   0.202098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070352   0.086877   0.089051
+    0SOL     H2    2  -0.089951   0.040943   0.170710
+    0SOL     H3    3  -0.035835   0.019018   0.031033
+    1SOL     O4    4   0.063506  -0.082379  -0.090541
+    1SOL     H5    5   0.134241  -0.110526  -0.032518
+    1SOL     H6    6   0.103679  -0.016447  -0.147121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031293  -0.006782   0.131684
+    0SOL     H2    2   0.020446  -0.087312   0.132214
+    0SOL     H3    3  -0.010825   0.035442   0.215114
+    1SOL     O4    4   0.029509   0.003650  -0.140298
+    1SOL     H5    5   0.010851   0.093438  -0.167729
+    1SOL     H6    6   0.005710   0.001437  -0.047611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024159  -0.122893   0.071473
+    0SOL     H2    2   0.005499  -0.038640   0.037060
+    0SOL     H3    3  -0.103668  -0.102122   0.120556
+    1SOL     O4    4   0.027947   0.109627  -0.071287
+    1SOL     H5    5  -0.052118   0.160930  -0.060333
+    1SOL     H6    6   0.093906   0.173542  -0.098241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064578   0.120980   0.008091
+    0SOL     H2    2  -0.150125   0.081732  -0.009332
+    0SOL     H3    3  -0.070358   0.151988   0.098465
+    1SOL     O4    4   0.076329  -0.121035  -0.012187
+    1SOL     H5    5   0.011508  -0.189397  -0.029137
+    1SOL     H6    6   0.024535  -0.041702   0.001450
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014144   0.087376  -0.109733
+    0SOL     H2    2  -0.044381   0.054144  -0.041668
+    0SOL     H3    3  -0.044069   0.129507  -0.172967
+    1SOL     O4    4  -0.007541  -0.083083   0.104402
+    1SOL     H5    5  -0.064079  -0.084060   0.181634
+    1SOL     H6    6   0.044489  -0.163092   0.111735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016182   0.138833  -0.031826
+    0SOL     H2    2  -0.005160   0.053738   0.006459
+    0SOL     H3    3   0.010126   0.200262   0.041333
+    1SOL     O4    4  -0.008738  -0.133489   0.025217
+    1SOL     H5    5  -0.061513  -0.163077  -0.048956
+    1SOL     H6    6  -0.051577  -0.171592   0.101867
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003478   0.037313   0.141627
+    0SOL     H2    2   0.014630   0.025886   0.048333
+    0SOL     H3    3  -0.064920  -0.032925   0.162927
+    1SOL     O4    4   0.005443  -0.038363  -0.133397
+    1SOL     H5    5   0.077477  -0.010965  -0.190167
+    1SOL     H6    6  -0.056478   0.034573  -0.136304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092399  -0.111838  -0.015230
+    0SOL     H2    2  -0.033170  -0.036652  -0.016361
+    0SOL     H3    3  -0.042200  -0.181294   0.027411
+    1SOL     O4    4   0.081042   0.109185   0.008445
+    1SOL     H5    5   0.075051   0.128200   0.102066
+    1SOL     H6    6   0.171999   0.128575  -0.014209
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041135  -0.126539  -0.035790
+    0SOL     H2    2   0.136577  -0.129938  -0.029346
+    0SOL     H3    3   0.010814  -0.199388   0.018395
+    1SOL     O4    4  -0.043473   0.136808   0.031998
+    1SOL     H5    5   0.006128   0.064173  -0.005768
+    1SOL     H6    6  -0.116560   0.094901   0.077434
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093977  -0.082955   0.072590
+    0SOL     H2    2  -0.170828  -0.034389   0.102551
+    0SOL     H3    3  -0.035128  -0.015825   0.038053
+    1SOL     O4    4   0.090487   0.072070  -0.073251
+    1SOL     H5    5   0.167531   0.064921  -0.016900
+    1SOL     H6    6   0.099132   0.157790  -0.114961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036996   0.092574  -0.098349
+    0SOL     H2    2   0.065958   0.166149  -0.044402
+    0SOL     H3    3  -0.049973   0.118132  -0.129098
+    1SOL     O4    4  -0.035537  -0.105648   0.097667
+    1SOL     H5    5  -0.004725  -0.043781   0.163888
+    1SOL     H6    6  -0.041071  -0.053979   0.017280
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109661  -0.061098   0.053964
+    0SOL     H2    2   0.142952  -0.150109   0.042515
+    0SOL     H3    3   0.187935  -0.006003   0.053864
+    1SOL     O4    4  -0.122165   0.059732  -0.054091
+    1SOL     H5    5  -0.103315   0.152856  -0.065707
+    1SOL     H6    6  -0.038007   0.021040  -0.029951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108784   0.082089   0.020729
+    0SOL     H2    2  -0.201147   0.090348   0.044461
+    0SOL     H3    3  -0.100363   0.131840  -0.060611
+    1SOL     O4    4   0.116734  -0.089188  -0.013281
+    1SOL     H5    5   0.139426  -0.068802  -0.104010
+    1SOL     H6    6   0.035396  -0.041245   0.002466
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013604  -0.067667  -0.129547
+    0SOL     H2    2   0.000905  -0.022835  -0.046229
+    0SOL     H3    3   0.061447  -0.042865  -0.183533
+    1SOL     O4    4   0.009632   0.066504   0.122079
+    1SOL     H5    5   0.049973   0.081279   0.207616
+    1SOL     H6    6  -0.056522  -0.000809   0.138051
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052689   0.021015  -0.133991
+    0SOL     H2    2  -0.019494  -0.020093  -0.054175
+    0SOL     H3    3  -0.065639  -0.051723  -0.194849
+    1SOL     O4    4   0.054806  -0.016276   0.127662
+    1SOL     H5    5   0.076875   0.059585   0.181702
+    1SOL     H6    6  -0.023103  -0.053393   0.169074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085674  -0.101375  -0.039022
+    0SOL     H2    2   0.050340  -0.188355  -0.057686
+    0SOL     H3    3   0.160018  -0.117625   0.019040
+    1SOL     O4    4  -0.087711   0.114254   0.035684
+    1SOL     H5    5  -0.024934   0.046544   0.010452
+    1SOL     H6    6  -0.158334   0.066488   0.079195
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052595   0.096028   0.085334
+    0SOL     H2    2   0.086328   0.163418   0.026316
+    0SOL     H3    3   0.034401   0.142554   0.166983
+    1SOL     O4    4  -0.059115  -0.104459  -0.089944
+    1SOL     H5    5   0.025380  -0.149002  -0.083712
+    1SOL     H6    6  -0.048441  -0.025266  -0.037247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124888  -0.037485   0.049433
+    0SOL     H2    2  -0.124090  -0.033218   0.145054
+    0SOL     H3    3  -0.203875   0.010197   0.023940
+    1SOL     O4    4   0.135271   0.032239  -0.050723
+    1SOL     H5    5   0.045175   0.019116  -0.021179
+    1SOL     H6    6   0.126995   0.084436  -0.130530
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110569  -0.100520   0.000575
+    0SOL     H2    2   0.047798  -0.028358   0.004415
+    0SOL     H3    3   0.057363  -0.179249   0.012114
+    1SOL     O4    4  -0.098314   0.100182   0.001980
+    1SOL     H5    5  -0.109604   0.138027  -0.085213
+    1SOL     H6    6  -0.185963   0.070945   0.026985
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053544   0.117457   0.074688
+    0SOL     H2    2   0.148281   0.104427   0.078866
+    0SOL     H3    3   0.019019   0.033235   0.045074
+    1SOL     O4    4  -0.051492  -0.108610  -0.070959
+    1SOL     H5    5  -0.099450  -0.180090  -0.029091
+    1SOL     H6    6  -0.100479  -0.090606  -0.151199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030459   0.136088  -0.054969
+    0SOL     H2    2   0.008530   0.045040  -0.035178
+    0SOL     H3    3   0.081571   0.165405   0.020465
+    1SOL     O4    4  -0.027326  -0.128973   0.046668
+    1SOL     H5    5  -0.097208  -0.100487   0.105552
+    1SOL     H6    6  -0.039997  -0.223484   0.038339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037460   0.053472   0.133587
+    0SOL     H2    2   0.008780   0.019663   0.048754
+    0SOL     H3    3   0.071310  -0.023223   0.179787
+    1SOL     O4    4  -0.031014  -0.047116  -0.130170
+    1SOL     H5    5  -0.092961   0.022183  -0.153027
+    1SOL     H6    6  -0.082806  -0.127557  -0.133189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139221   0.044837   0.022124
+    0SOL     H2    2   0.152221   0.123809   0.074630
+    0SOL     H3    3   0.045137   0.027933   0.027093
+    1SOL     O4    4  -0.130013  -0.044795  -0.029770
+    1SOL     H5    5  -0.125818  -0.138033  -0.008521
+    1SOL     H6    6  -0.206579  -0.012738   0.017899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077199   0.112237   0.036175
+    0SOL     H2    2  -0.091952   0.131705   0.128726
+    0SOL     H3    3  -0.163247   0.122412  -0.004502
+    1SOL     O4    4   0.088613  -0.113005  -0.043590
+    1SOL     H5    5   0.065757  -0.193559   0.002789
+    1SOL     H6    6   0.021602  -0.050092  -0.016874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050008   0.129187   0.027439
+    0SOL     H2    2  -0.053796   0.197679   0.094199
+    0SOL     H3    3  -0.045188   0.176747  -0.055490
+    1SOL     O4    4   0.051464  -0.140081  -0.021637
+    1SOL     H5    5   0.076518  -0.144003  -0.113936
+    1SOL     H6    6  -0.000282  -0.059898  -0.014202
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011861  -0.129938   0.056268
+    0SOL     H2    2   0.005708  -0.123449   0.150138
+    0SOL     H3    3  -0.086995  -0.188905   0.049935
+    1SOL     O4    4   0.018070   0.138340  -0.056643
+    1SOL     H5    5   0.000518   0.046708  -0.035250
+    1SOL     H6    6  -0.006502   0.146604  -0.148786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116057   0.097334  -0.022987
+    0SOL     H2    2   0.035724   0.054381   0.006407
+    0SOL     H3    3   0.174904   0.025298  -0.045576
+    1SOL     O4    4  -0.110925  -0.086610   0.027238
+    1SOL     H5    5  -0.199120  -0.070218  -0.006159
+    1SOL     H6    6  -0.084600  -0.168931  -0.013901
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.129604  -0.038821   0.046750
+    0SOL     H2    2   0.161767  -0.127052   0.028225
+    0SOL     H3    3   0.205668   0.007605   0.081697
+    1SOL     O4    4  -0.140549   0.040758  -0.053490
+    1SOL     H5    5  -0.148569   0.090575   0.027850
+    1SOL     H6    6  -0.056698  -0.004730  -0.045604
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112182  -0.099875   0.036706
+    0SOL     H2    2   0.036628  -0.045192   0.015175
+    0SOL     H3    3   0.185932  -0.057131  -0.006839
+    1SOL     O4    4  -0.112942   0.096026  -0.026584
+    1SOL     H5    5  -0.148789   0.021566  -0.074885
+    1SOL     H6    6  -0.062338   0.144711  -0.091633
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042079  -0.147562  -0.034209
+    0SOL     H2    2  -0.047191  -0.118849  -0.015006
+    0SOL     H3    3   0.096899  -0.072568  -0.011121
+    1SOL     O4    4  -0.034803   0.139671   0.027497
+    1SOL     H5    5  -0.031993   0.169778   0.118315
+    1SOL     H6    6  -0.128011   0.137424   0.005831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095777   0.091339  -0.075478
+    0SOL     H2    2  -0.165771   0.148275  -0.043519
+    0SOL     H3    3  -0.054615   0.057066   0.003853
+    1SOL     O4    4   0.097735  -0.093307   0.061750
+    1SOL     H5    5   0.055376  -0.154246   0.122202
+    1SOL     H6    6   0.134784  -0.025418   0.118148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064023   0.097393   0.100832
+    0SOL     H2    2   0.042174   0.045464   0.023448
+    0SOL     H3    3   0.140379   0.148757   0.074490
+    1SOL     O4    4  -0.068727  -0.094716  -0.088158
+    1SOL     H5    5   0.002681  -0.151654  -0.116814
+    1SOL     H6    6  -0.123339  -0.083690  -0.165994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068460   0.109445   0.088755
+    0SOL     H2    2   0.046998   0.044682   0.021618
+    0SOL     H3    3   0.027839   0.075641   0.168565
+    1SOL     O4    4  -0.067422  -0.102127  -0.083211
+    1SOL     H5    5  -0.036587  -0.047814  -0.155748
+    1SOL     H6    6  -0.060064  -0.191891  -0.115627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015688   0.101960  -0.116649
+    0SOL     H2    2   0.015260   0.035947  -0.054625
+    0SOL     H3    3   0.053412   0.168191  -0.117672
+    1SOL     O4    4   0.015426  -0.099040   0.110080
+    1SOL     H5    5  -0.056002  -0.050457   0.151312
+    1SOL     H6    6  -0.008371  -0.191043   0.121547
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125191  -0.012549  -0.084169
+    0SOL     H2    2   0.123361  -0.105492  -0.106988
+    0SOL     H3    3   0.106831   0.032736  -0.166475
+    1SOL     O4    4  -0.127995   0.009406   0.089004
+    1SOL     H5    5  -0.041569   0.029445   0.053071
+    1SOL     H6    6  -0.148526   0.084113   0.145215
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055439  -0.137598   0.055829
+    0SOL     H2    2  -0.011206  -0.207606   0.007822
+    0SOL     H3    3  -0.033685  -0.057894   0.007493
+    1SOL     O4    4   0.055329   0.134414  -0.045448
+    1SOL     H5    5   0.057928   0.127838  -0.140906
+    1SOL     H6    6  -0.021618   0.188343  -0.027194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037679   0.102726   0.113837
+    0SOL     H2    2  -0.016287   0.057448   0.032261
+    0SOL     H3    3  -0.050275   0.194032   0.088014
+    1SOL     O4    4   0.034197  -0.098847  -0.107567
+    1SOL     H5    5  -0.008431  -0.182981  -0.091238
+    1SOL     H6    6   0.125519  -0.121281  -0.125438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093713  -0.111363  -0.041368
+    0SOL     H2    2  -0.058038  -0.118392  -0.129913
+    0SOL     H3    3  -0.188348  -0.119986  -0.052869
+    1SOL     O4    4   0.098744   0.116944   0.042610
+    1SOL     H5    5   0.133306   0.107969   0.131420
+    1SOL     H6    6   0.036261   0.044969   0.033786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055146  -0.061102  -0.138613
+    0SOL     H2    2  -0.052842   0.000715  -0.065567
+    0SOL     H3    3  -0.126152  -0.029555  -0.194518
+    1SOL     O4    4   0.058990   0.051392   0.132367
+    1SOL     H5    5   0.036337   0.035580   0.224014
+    1SOL     H6    6   0.076602   0.145370   0.127869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075340   0.021939   0.138426
+    0SOL     H2    2   0.003983   0.071770   0.118748
+    0SOL     H3    3  -0.120428   0.073895   0.204984
+    1SOL     O4    4   0.074495  -0.024485  -0.147224
+    1SOL     H5    5   0.092277   0.011708  -0.060413
+    1SOL     H6    6   0.040867  -0.112456  -0.130121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073266  -0.066330  -0.133400
+    0SOL     H2    2  -0.063702   0.007315  -0.193793
+    0SOL     H3    3   0.011800  -0.072996  -0.090021
+    1SOL     O4    4   0.067680   0.059959   0.127858
+    1SOL     H5    5   0.132551   0.037956   0.194717
+    1SOL     H6    6   0.008280   0.121182   0.171283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036993   0.023612   0.162054
+    0SOL     H2    2   0.012130   0.035487   0.070385
+    0SOL     H3    3   0.100055   0.093582   0.179074
+    1SOL     O4    4  -0.041374  -0.029907  -0.151368
+    1SOL     H5    5   0.022038   0.036879  -0.177462
+    1SOL     H6    6  -0.069240  -0.070010  -0.233694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079785   0.150712  -0.012647
+    0SOL     H2    2   0.145828   0.084489   0.007730
+    0SOL     H3    3  -0.002604   0.102119  -0.016272
+    1SOL     O4    4  -0.075201  -0.140857   0.006493
+    1SOL     H5    5  -0.143708  -0.205837  -0.009214
+    1SOL     H6    6  -0.071350  -0.132598   0.101778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034106  -0.096217  -0.130073
+    0SOL     H2    2   0.002614  -0.064955  -0.212757
+    0SOL     H3    3  -0.110447  -0.040445  -0.115107
+    1SOL     O4    4   0.035031   0.091262   0.140623
+    1SOL     H5    5   0.113191   0.057450   0.096918
+    1SOL     H6    6  -0.019903   0.124174   0.069480
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025958  -0.011108   0.169753
+    0SOL     H2    2  -0.088291  -0.083296   0.177867
+    0SOL     H3    3   0.040790  -0.029493   0.235852
+    1SOL     O4    4   0.028027   0.022771  -0.173107
+    1SOL     H5    5  -0.018706  -0.020677  -0.244456
+    1SOL     H6    6   0.040263  -0.045630  -0.107274
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046864  -0.111243   0.135504
+    0SOL     H2    2   0.132943  -0.084049   0.103671
+    0SOL     H3    3   0.010482  -0.032706   0.176377
+    1SOL     O4    4  -0.055126   0.103306  -0.133288
+    1SOL     H5    5   0.028177   0.121376  -0.089739
+    1SOL     H6    6  -0.036821   0.116112  -0.226364
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110555  -0.131956   0.044738
+    0SOL     H2    2   0.053528  -0.160493   0.116124
+    0SOL     H3    3   0.199260  -0.143582   0.078774
+    1SOL     O4    4  -0.108604   0.139226  -0.047756
+    1SOL     H5    5  -0.091870   0.045600  -0.036962
+    1SOL     H6    6  -0.187222   0.143434  -0.102196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099094  -0.101290   0.129937
+    0SOL     H2    2   0.086252  -0.092348   0.035505
+    0SOL     H3    3   0.030835  -0.046535   0.168731
+    1SOL     O4    4  -0.093991   0.104336  -0.125784
+    1SOL     H5    5  -0.173393   0.050905  -0.124086
+    1SOL     H6    6  -0.023513   0.042031  -0.143480
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107707   0.137741  -0.094703
+    0SOL     H2    2  -0.120933   0.199456  -0.022740
+    0SOL     H3    3  -0.120634   0.051564  -0.055096
+    1SOL     O4    4   0.102600  -0.135919   0.087227
+    1SOL     H5    5   0.171424  -0.076023   0.058277
+    1SOL     H6    6   0.148997  -0.204097   0.135820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080892  -0.147346  -0.117073
+    0SOL     H2    2  -0.085430  -0.072699  -0.176818
+    0SOL     H3    3  -0.148044  -0.207678  -0.148903
+    1SOL     O4    4   0.089327   0.142930   0.118725
+    1SOL     H5    5   0.099797   0.233968   0.146379
+    1SOL     H6    6   0.009396   0.113603   0.162467
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003877  -0.147775   0.157427
+    0SOL     H2    2   0.098666  -0.149784   0.170592
+    0SOL     H3    3  -0.015942  -0.055827   0.139673
+    1SOL     O4    4  -0.006069   0.143280  -0.150697
+    1SOL     H5    5   0.012544   0.187791  -0.233368
+    1SOL     H6    6  -0.065906   0.072464  -0.174510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043546  -0.115714   0.174287
+    0SOL     H2    2   0.008618  -0.113212   0.263372
+    0SOL     H3    3   0.053224  -0.208953   0.154914
+    1SOL     O4    4  -0.043384   0.124940  -0.173205
+    1SOL     H5    5   0.028924   0.062681  -0.180799
+    1SOL     H6    6  -0.091710   0.115726  -0.255314
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002932  -0.191317  -0.139352
+    0SOL     H2    2  -0.091559  -0.198637  -0.125924
+    0SOL     H3    3   0.039050  -0.270451  -0.099409
+    1SOL     O4    4  -0.001257   0.192363   0.141158
+    1SOL     H5    5   0.005402   0.170019   0.048321
+    1SOL     H6    6   0.016878   0.286287   0.144597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063036  -0.234743   0.041966
+    0SOL     H2    2   0.067409  -0.197136  -0.045949
+    0SOL     H3    3  -0.013987  -0.194074   0.081661
+    1SOL     O4    4  -0.062850   0.225029  -0.040504
+    1SOL     H5    5   0.031939   0.217867  -0.029276
+    1SOL     H6    6  -0.081165   0.318485  -0.030868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033977  -0.140916   0.201651
+    0SOL     H2    2   0.013572  -0.067148   0.259133
+    0SOL     H3    3   0.129616  -0.142995   0.198307
+    1SOL     O4    4  -0.035300   0.133028  -0.200027
+    1SOL     H5    5  -0.067292   0.222268  -0.186800
+    1SOL     H6    6  -0.051411   0.115246  -0.292691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061570   0.289384  -0.133067
+    0SOL     H2    2  -0.001536   0.220565  -0.104391
+    0SOL     H3    3  -0.119324   0.246164  -0.195986
+    1SOL     O4    4   0.063745  -0.277549   0.132881
+    1SOL     H5    5   0.112259  -0.349518   0.173244
+    1SOL     H6    6  -0.025861  -0.310326   0.125227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023558   0.275176   0.173210
+    0SOL     H2    2   0.090574   0.332644   0.210203
+    0SOL     H3    3  -0.024270   0.330646   0.111583
+    1SOL     O4    4  -0.027318  -0.286850  -0.175449
+    1SOL     H5    5  -0.071377  -0.244047  -0.102039
+    1SOL     H6    6   0.059550  -0.246728  -0.177998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042491  -0.338931  -0.016110
+    0SOL     H2    2   0.009245  -0.302556  -0.098170
+    0SOL     H3    3  -0.033173  -0.338976   0.042518
+    1SOL     O4    4  -0.039153   0.343194   0.018254
+    1SOL     H5    5  -0.053492   0.283602  -0.055268
+    1SOL     H6    6   0.018923   0.295062   0.077185
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097152  -0.267690   0.303653
+    0SOL     H2    2   0.019565  -0.323722   0.305391
+    0SOL     H3    3   0.161064  -0.313497   0.358235
+    1SOL     O4    4  -0.091374   0.278293  -0.305709
+    1SOL     H5    5  -0.080056   0.192088  -0.345745
+    1SOL     H6    6  -0.184379   0.282390  -0.283447
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/270K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.142334  -0.422236   0.094213
+    0SOL     H2    2   0.201713  -0.363351   0.140786
+    0SOL     H3    3   0.136912  -0.385879   0.005833
+    1SOL     O4    4  -0.144375   0.417659  -0.098039
+    1SOL     H5    5  -0.184899   0.476142  -0.034009
+    1SOL     H6    6  -0.124489   0.338103  -0.048666
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099907  -0.069679   0.022094
+    0SOL     H2    2  -0.079229  -0.114531   0.104089
+    0SOL     H3    3  -0.141293  -0.136781  -0.032190
+    1SOL     O4    4   0.106413   0.079666  -0.019975
+    1SOL     H5    5   0.109659   0.044953  -0.109120
+    1SOL     H6    6   0.018773   0.057266   0.011326
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111237   0.026075   0.049460
+    0SOL     H2    2  -0.119143  -0.050032   0.106970
+    0SOL     H3    3  -0.141164   0.099690   0.102823
+    1SOL     O4    4   0.119179  -0.027636  -0.052627
+    1SOL     H5    5   0.028243  -0.019347  -0.023918
+    1SOL     H6    6   0.116564  -0.008651  -0.146409
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021092  -0.030998   0.126411
+    0SOL     H2    2   0.094644  -0.086754   0.151783
+    0SOL     H3    3   0.037403  -0.010139   0.034426
+    1SOL     O4    4  -0.019023   0.033172  -0.123899
+    1SOL     H5    5  -0.080604   0.102444  -0.099993
+    1SOL     H6    6  -0.072944  -0.045638  -0.130519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114396   0.012494  -0.045590
+    0SOL     H2    2  -0.141355   0.059583  -0.124445
+    0SOL     H3    3  -0.196547  -0.012246  -0.003147
+    1SOL     O4    4   0.125996  -0.016228   0.044204
+    1SOL     H5    5   0.037557  -0.005962   0.009055
+    1SOL     H6    6   0.120006   0.016140   0.134086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125566   0.015848  -0.053807
+    0SOL     H2    2   0.169192   0.028627   0.030430
+    0SOL     H3    3   0.032269   0.014033  -0.032483
+    1SOL     O4    4  -0.116695  -0.018462   0.043891
+    1SOL     H5    5  -0.207511  -0.035483   0.018891
+    1SOL     H6    6  -0.123166   0.031318   0.125392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006986  -0.026261   0.126031
+    0SOL     H2    2  -0.049686  -0.088261   0.171929
+    0SOL     H3    3  -0.022509   0.059795   0.155809
+    1SOL     O4    4  -0.008040   0.023688  -0.134527
+    1SOL     H5    5   0.071660   0.071544  -0.157333
+    1SOL     H6    6   0.004195  -0.001003  -0.042859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.134822   0.019286   0.020624
+    0SOL     H2    2   0.178998  -0.052539  -0.024675
+    0SOL     H3    3   0.041687   0.004115   0.004562
+    1SOL     O4    4  -0.125348  -0.015286  -0.013961
+    1SOL     H5    5  -0.208444  -0.056628   0.009454
+    1SOL     H6    6  -0.148062   0.046656  -0.083312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069192   0.091568   0.077053
+    0SOL     H2    2   0.029039   0.032077   0.013721
+    0SOL     H3    3   0.086976   0.036788   0.153507
+    1SOL     O4    4  -0.062781  -0.081816  -0.075365
+    1SOL     H5    5  -0.155024  -0.056487  -0.078828
+    1SOL     H6    6  -0.060627  -0.169805  -0.112989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039580  -0.029575  -0.129767
+    0SOL     H2    2  -0.007916   0.000925  -0.044741
+    0SOL     H3    3  -0.046677  -0.124539  -0.120077
+    1SOL     O4    4   0.033820   0.030667   0.120876
+    1SOL     H5    5   0.049015   0.121180   0.148057
+    1SOL     H6    6   0.104012  -0.019092   0.162822
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095028   0.044972  -0.088830
+    0SOL     H2    2  -0.018293   0.011499  -0.042421
+    0SOL     H3    3  -0.058939   0.100409  -0.158015
+    1SOL     O4    4   0.083044  -0.048886   0.086298
+    1SOL     H5    5   0.171820  -0.031018   0.055283
+    1SOL     H6    6   0.084824  -0.025301   0.179049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055262  -0.081684  -0.086129
+    0SOL     H2    2   0.142970  -0.116472  -0.102234
+    0SOL     H3    3   0.004930  -0.156937  -0.055048
+    1SOL     O4    4  -0.055211   0.088694   0.091754
+    1SOL     H5    5  -0.135506   0.124639   0.054030
+    1SOL     H6    6  -0.013500   0.041986   0.019360
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033551  -0.071771  -0.106836
+    0SOL     H2    2   0.000731  -0.156057  -0.077124
+    0SOL     H3    3   0.026271  -0.044743  -0.176501
+    1SOL     O4    4   0.031511   0.072855   0.114300
+    1SOL     H5    5   0.016776   0.029186   0.030406
+    1SOL     H6    6  -0.016332   0.155447   0.107095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096053  -0.084040   0.014554
+    0SOL     H2    2  -0.129005  -0.146773  -0.049797
+    0SOL     H3    3  -0.142840  -0.105599   0.095229
+    1SOL     O4    4   0.099543   0.095622  -0.013451
+    1SOL     H5    5   0.047259   0.016307  -0.001705
+    1SOL     H6    6   0.175439   0.067026  -0.064286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105753  -0.081657  -0.036980
+    0SOL     H2    2   0.030715  -0.038619   0.004001
+    0SOL     H3    3   0.109620  -0.167820   0.004534
+    1SOL     O4    4  -0.096977   0.088714   0.031056
+    1SOL     H5    5  -0.169772   0.062524  -0.025312
+    1SOL     H6    6  -0.106061   0.033906   0.109004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101833   0.041145   0.073587
+    0SOL     H2    2   0.179419   0.050353   0.018288
+    0SOL     H3    3   0.128345  -0.020206   0.142110
+    1SOL     O4    4  -0.108137  -0.044803  -0.076152
+    1SOL     H5    5  -0.041306  -0.001633  -0.022933
+    1SOL     H6    6  -0.171386   0.024270  -0.095920
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043645  -0.007238  -0.132767
+    0SOL     H2    2  -0.039529   0.076550  -0.178865
+    0SOL     H3    3  -0.026335   0.014845  -0.041251
+    1SOL     O4    4   0.043315  -0.001400   0.123880
+    1SOL     H5    5  -0.024191  -0.020955   0.188864
+    1SOL     H6    6   0.096647   0.066927   0.164493
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019858  -0.038955  -0.123455
+    0SOL     H2    2   0.018363  -0.134127  -0.113332
+    0SOL     H3    3   0.068919  -0.024190  -0.204309
+    1SOL     O4    4  -0.023162   0.037436   0.131640
+    1SOL     H5    5  -0.025654   0.127999   0.162535
+    1SOL     H6    6  -0.013710   0.044730   0.036667
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054844  -0.116404   0.024760
+    0SOL     H2    2   0.143004  -0.122479   0.061547
+    0SOL     H3    3   0.049209  -0.189892  -0.036315
+    1SOL     O4    4  -0.056740   0.125004  -0.027981
+    1SOL     H5    5  -0.032062   0.038016   0.003428
+    1SOL     H6    6  -0.135136   0.147295   0.022214
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051694  -0.054155   0.120662
+    0SOL     H2    2  -0.083806  -0.138761   0.089468
+    0SOL     H3    3  -0.038070  -0.002815   0.041032
+    1SOL     O4    4   0.051376   0.053099  -0.107257
+    1SOL     H5    5   0.023301   0.025855  -0.194618
+    1SOL     H6    6   0.104199   0.131478  -0.122381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.138047   0.029489  -0.028338
+    0SOL     H2    2  -0.056893  -0.020152  -0.017744
+    0SOL     H3    3  -0.115025   0.118838  -0.002861
+    1SOL     O4    4   0.129236  -0.026448   0.022251
+    1SOL     H5    5   0.173789  -0.016673   0.106404
+    1SOL     H6    6   0.128655  -0.120815   0.006222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018516   0.018647  -0.130847
+    0SOL     H2    2  -0.015444  -0.055596  -0.191187
+    0SOL     H3    3   0.049744   0.077943  -0.162260
+    1SOL     O4    4   0.011984  -0.013234   0.140601
+    1SOL     H5    5   0.077060  -0.080814   0.159583
+    1SOL     H6    6  -0.009375  -0.025780   0.048142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120772   0.025214  -0.066284
+    0SOL     H2    2   0.203663  -0.013071  -0.037551
+    0SOL     H3    3   0.055450  -0.011524  -0.006739
+    1SOL     O4    4  -0.124105  -0.018671   0.055395
+    1SOL     H5    5  -0.104471  -0.109480   0.078430
+    1SOL     H6    6  -0.104600   0.031001   0.134859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112852   0.022692  -0.084090
+    0SOL     H2    2   0.040036  -0.006403  -0.029195
+    0SOL     H3    3   0.175024   0.061827  -0.022727
+    1SOL     O4    4  -0.105391  -0.025238   0.079007
+    1SOL     H5    5  -0.138181   0.063538   0.064654
+    1SOL     H6    6  -0.181161  -0.081618   0.063437
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031328  -0.081910   0.112255
+    0SOL     H2    2  -0.019985  -0.025291   0.035914
+    0SOL     H3    3  -0.010609  -0.025835   0.187012
+    1SOL     O4    4   0.024460   0.078966  -0.108552
+    1SOL     H5    5   0.018652   0.054466  -0.200901
+    1SOL     H6    6   0.107723   0.042045  -0.079118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071514  -0.041651  -0.105261
+    0SOL     H2    2   0.060672  -0.136522  -0.111912
+    0SOL     H3    3   0.158028  -0.024710  -0.142552
+    1SOL     O4    4  -0.078680   0.040646   0.110524
+    1SOL     H5    5  -0.086144   0.130851   0.141662
+    1SOL     H6    6  -0.024654   0.046842   0.031752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042089   0.123107   0.027611
+    0SOL     H2    2   0.125261   0.128841   0.074641
+    0SOL     H3    3   0.019345   0.213974   0.007908
+    1SOL     O4    4  -0.044594  -0.130027  -0.035705
+    1SOL     H5    5  -0.071299  -0.193261   0.031008
+    1SOL     H6    6  -0.043247  -0.045974   0.010071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093567  -0.068271   0.073690
+    0SOL     H2    2  -0.184046  -0.037153   0.076444
+    0SOL     H3    3  -0.095288  -0.141661   0.012264
+    1SOL     O4    4   0.104635   0.072409  -0.067606
+    1SOL     H5    5   0.081249   0.067949  -0.160318
+    1SOL     H6    6   0.024654   0.047223  -0.021443
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022013   0.035696   0.137702
+    0SOL     H2    2  -0.012509  -0.009928   0.060962
+    0SOL     H3    3   0.023372  -0.030789   0.206552
+    1SOL     O4    4  -0.013526  -0.029205  -0.136853
+    1SOL     H5    5  -0.068432   0.049051  -0.141733
+    1SOL     H6    6  -0.075582  -0.102084  -0.136616
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042305  -0.088749   0.097145
+    0SOL     H2    2  -0.033360  -0.045060   0.181842
+    0SOL     H3    3   0.018186  -0.162785   0.101824
+    1SOL     O4    4   0.041168   0.087677  -0.107433
+    1SOL     H5    5   0.025152   0.180702  -0.091555
+    1SOL     H6    6   0.008423   0.043931  -0.028843
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098887  -0.063421   0.075040
+    0SOL     H2    2  -0.159020  -0.095553   0.007855
+    0SOL     H3    3  -0.146182   0.008288   0.117269
+    1SOL     O4    4   0.106981   0.067896  -0.072271
+    1SOL     H5    5   0.048702   0.012810  -0.020009
+    1SOL     H6    6   0.129628   0.013838  -0.147950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059889   0.027342  -0.123260
+    0SOL     H2    2  -0.083005   0.119782  -0.132361
+    0SOL     H3    3  -0.141612  -0.015426  -0.097677
+    1SOL     O4    4   0.073181  -0.030733   0.124377
+    1SOL     H5    5   0.038295  -0.008750   0.037994
+    1SOL     H6    6  -0.004324  -0.047205   0.178079
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123158  -0.060360   0.025051
+    0SOL     H2    2   0.214206  -0.033994   0.011730
+    0SOL     H3    3   0.098910  -0.104800  -0.056186
+    1SOL     O4    4  -0.130026   0.058458  -0.024672
+    1SOL     H5    5  -0.158921   0.137634   0.020698
+    1SOL     H6    6  -0.050054   0.032435   0.021040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089542  -0.115003  -0.002651
+    0SOL     H2    2  -0.040363  -0.033236   0.004962
+    0SOL     H3    3  -0.175302  -0.088426  -0.035836
+    1SOL     O4    4   0.085490   0.109657   0.005312
+    1SOL     H5    5   0.129710   0.129334  -0.077270
+    1SOL     H6    6   0.155217   0.078582   0.063060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140282  -0.040420  -0.017888
+    0SOL     H2    2   0.130043  -0.134917  -0.006585
+    0SOL     H3    3   0.053576  -0.004471   0.000876
+    1SOL     O4    4  -0.133446   0.040653   0.022971
+    1SOL     H5    5  -0.116063   0.130109  -0.006316
+    1SOL     H6    6  -0.172978  -0.002199  -0.052945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134341  -0.054236  -0.030921
+    0SOL     H2    2  -0.043034  -0.032857  -0.011728
+    0SOL     H3    3  -0.182385   0.026306  -0.011760
+    1SOL     O4    4   0.126890   0.044578   0.031767
+    1SOL     H5    5   0.184815   0.009217  -0.035735
+    1SOL     H6    6   0.154056   0.135866   0.041289
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094920  -0.082288  -0.067149
+    0SOL     H2    2  -0.080587  -0.043134  -0.153310
+    0SOL     H3    3  -0.036624  -0.158186  -0.065279
+    1SOL     O4    4   0.094592   0.082150   0.077474
+    1SOL     H5    5   0.014625   0.042628   0.042751
+    1SOL     H6    6   0.109173   0.159109   0.022456
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033085  -0.124623   0.072049
+    0SOL     H2    2   0.001627  -0.043524   0.034895
+    0SOL     H3    3  -0.091335  -0.159037   0.004336
+    1SOL     O4    4   0.038154   0.118419  -0.062567
+    1SOL     H5    5   0.003519   0.099991  -0.149878
+    1SOL     H6    6   0.006741   0.206560  -0.042399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004015  -0.123876  -0.067069
+    0SOL     H2    2  -0.068301  -0.186521  -0.064194
+    0SOL     H3    3  -0.006065  -0.079433  -0.151245
+    1SOL     O4    4  -0.002817   0.130615   0.069958
+    1SOL     H5    5   0.077895   0.122224   0.120728
+    1SOL     H6    6  -0.025567   0.040770   0.046031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043855   0.078665   0.117303
+    0SOL     H2    2  -0.026075   0.020141   0.043675
+    0SOL     H3    3  -0.098259   0.148114   0.080163
+    1SOL     O4    4   0.042122  -0.077433  -0.104941
+    1SOL     H5    5   0.100930  -0.024911  -0.159212
+    1SOL     H6    6   0.044220  -0.164517  -0.144618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.141080  -0.043483   0.008129
+    0SOL     H2    2   0.131597  -0.125025   0.057355
+    0SOL     H3    3   0.057757  -0.033404  -0.037894
+    1SOL     O4    4  -0.132154   0.048051  -0.002018
+    1SOL     H5    5  -0.158469  -0.033058  -0.045506
+    1SOL     H6    6  -0.165112   0.117588  -0.058945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054301  -0.100637   0.077226
+    0SOL     H2    2  -0.066714  -0.165729   0.008151
+    0SOL     H3    3  -0.091260  -0.141410   0.155545
+    1SOL     O4    4   0.055813   0.113191  -0.076335
+    1SOL     H5    5   0.132047   0.078357  -0.122566
+    1SOL     H6    6   0.003157   0.036057  -0.055357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078538  -0.084927   0.083589
+    0SOL     H2    2   0.085212  -0.057688   0.175109
+    0SOL     H3    3  -0.002639  -0.135480   0.079454
+    1SOL     O4    4  -0.081298   0.087079  -0.086666
+    1SOL     H5    5  -0.033729   0.127146  -0.159426
+    1SOL     H6    6  -0.015819   0.033670  -0.041696
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059242   0.133088   0.004808
+    0SOL     H2    2   0.010272   0.059418  -0.031754
+    0SOL     H3    3   0.091195   0.180982  -0.071661
+    1SOL     O4    4  -0.054682  -0.127889   0.005881
+    1SOL     H5    5  -0.025931  -0.186494  -0.064127
+    1SOL     H6    6  -0.150203  -0.133896   0.004495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025988  -0.037990  -0.143320
+    0SOL     H2    2   0.056423  -0.037740  -0.094630
+    0SOL     H3    3  -0.082238   0.023014  -0.095606
+    1SOL     O4    4   0.030969   0.036302   0.140471
+    1SOL     H5    5  -0.023200   0.086737   0.079773
+    1SOL     H6    6  -0.022624  -0.039757   0.162946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082504  -0.097971   0.061901
+    0SOL     H2    2  -0.047917  -0.124760   0.147039
+    0SOL     H3    3  -0.152673  -0.036320   0.082824
+    1SOL     O4    4   0.084253   0.100107  -0.073924
+    1SOL     H5    5   0.027240   0.026774  -0.050812
+    1SOL     H6    6   0.147823   0.104520  -0.002499
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107033   0.070666   0.076813
+    0SOL     H2    2  -0.036475   0.020818   0.035593
+    0SOL     H3    3  -0.066776   0.109500   0.154489
+    1SOL     O4    4   0.097970  -0.064848  -0.074504
+    1SOL     H5    5   0.056500  -0.145720  -0.104544
+    1SOL     H6    6   0.185714  -0.067256  -0.112683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084365   0.044761  -0.115817
+    0SOL     H2    2  -0.025262   0.050391  -0.190901
+    0SOL     H3    3  -0.029264   0.013135  -0.044221
+    1SOL     O4    4   0.072115  -0.039904   0.115486
+    1SOL     H5    5   0.159983  -0.001941   0.116095
+    1SOL     H6    6   0.086592  -0.134070   0.124744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116236  -0.084444   0.011921
+    0SOL     H2    2  -0.177537  -0.024224   0.054088
+    0SOL     H3    3  -0.145240  -0.088300  -0.079217
+    1SOL     O4    4   0.123723   0.085153  -0.004263
+    1SOL     H5    5   0.159713   0.077311  -0.092611
+    1SOL     H6    6   0.049454   0.024776  -0.003157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025948  -0.097828  -0.111434
+    0SOL     H2    2   0.055840  -0.115866  -0.157779
+    0SOL     H3    3   0.001381  -0.055019  -0.030300
+    1SOL     O4    4   0.019209   0.089292   0.108139
+    1SOL     H5    5   0.089426   0.150109   0.085050
+    1SOL     H6    6  -0.048159   0.144417   0.147953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034904  -0.135134   0.023942
+    0SOL     H2    2   0.026108  -0.183312  -0.031904
+    0SOL     H3    3  -0.108132  -0.195370   0.037040
+    1SOL     O4    4   0.036679   0.147240  -0.018444
+    1SOL     H5    5  -0.007733   0.069816   0.016132
+    1SOL     H6    6   0.065078   0.121456  -0.106142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033479  -0.139407   0.033177
+    0SOL     H2    2   0.111544  -0.145475  -0.021881
+    0SOL     H3    3  -0.036097  -0.178864  -0.019402
+    1SOL     O4    4  -0.034951   0.146968  -0.021848
+    1SOL     H5    5  -0.054327   0.153281  -0.115374
+    1SOL     H6    6   0.001916   0.059321  -0.010840
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120090  -0.079815   0.019714
+    0SOL     H2    2   0.174132  -0.050796   0.093197
+    0SOL     H3    3   0.165150  -0.046446  -0.057864
+    1SOL     O4    4  -0.123190   0.082065  -0.017559
+    1SOL     H5    5  -0.085275  -0.005439  -0.009327
+    1SOL     H6    6  -0.208444   0.067518  -0.058578
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.005184  -0.078909  -0.126068
+    0SOL     H2    2   0.039164   0.001413  -0.165514
+    0SOL     H3    3   0.083260  -0.129671  -0.103939
+    1SOL     O4    4  -0.007478   0.076718   0.132162
+    1SOL     H5    5  -0.068191   0.146453   0.107396
+    1SOL     H6    6  -0.020626   0.008826   0.065981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045172   0.146444   0.005059
+    0SOL     H2    2   0.019498   0.054467  -0.001523
+    0SOL     H3    3  -0.037491   0.194654   0.002819
+    1SOL     O4    4  -0.041243  -0.137631  -0.005257
+    1SOL     H5    5  -0.021552  -0.200394  -0.074794
+    1SOL     H6    6  -0.018047  -0.183326   0.075590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092911  -0.028916   0.119438
+    0SOL     H2    2   0.047821   0.004912   0.042076
+    0SOL     H3    3   0.115689  -0.119003   0.096464
+    1SOL     O4    4  -0.088307   0.026341  -0.117217
+    1SOL     H5    5  -0.074412   0.120260  -0.129407
+    1SOL     H6    6  -0.156675   0.020661  -0.050465
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016223   0.017942  -0.151089
+    0SOL     H2    2  -0.015415  -0.053776  -0.206024
+    0SOL     H3    3  -0.005003  -0.009092  -0.061753
+    1SOL     O4    4  -0.014955  -0.005442   0.145986
+    1SOL     H5    5  -0.072014  -0.077419   0.172930
+    1SOL     H6    6   0.073450  -0.035999   0.166315
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117233   0.068487   0.055481
+    0SOL     H2    2   0.116643   0.153826   0.098830
+    0SOL     H3    3   0.162247   0.010619   0.117023
+    1SOL     O4    4  -0.119781  -0.074112  -0.067385
+    1SOL     H5    5  -0.045784  -0.026612  -0.029563
+    1SOL     H6    6  -0.193812  -0.052200  -0.010803
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092742  -0.088675   0.089135
+    0SOL     H2    2  -0.090504  -0.037051   0.169710
+    0SOL     H3    3  -0.061374  -0.028779   0.021379
+    1SOL     O4    4   0.093341   0.080408  -0.084318
+    1SOL     H5    5   0.041204   0.158259  -0.103895
+    1SOL     H6    6   0.101060   0.034973  -0.168213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084229   0.043020  -0.120789
+    0SOL     H2    2   0.015585  -0.015824  -0.089363
+    0SOL     H3    3   0.124207  -0.003740  -0.194120
+    1SOL     O4    4  -0.082194  -0.031091   0.120813
+    1SOL     H5    5  -0.015319  -0.083683   0.164677
+    1SOL     H6    6  -0.159196  -0.087868   0.117765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021250   0.059504  -0.142280
+    0SOL     H2    2   0.067482   0.023603  -0.141934
+    0SOL     H3    3  -0.078051  -0.016989  -0.151495
+    1SOL     O4    4   0.013963  -0.056505   0.144875
+    1SOL     H5    5   0.099624  -0.048850   0.186898
+    1SOL     H6    6   0.019928  -0.000092   0.067776
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095534   0.109211   0.066863
+    0SOL     H2    2  -0.047494   0.046199   0.013161
+    0SOL     H3    3  -0.070410   0.194675   0.031835
+    1SOL     O4    4   0.091222  -0.107575  -0.055800
+    1SOL     H5    5   0.054879  -0.192942  -0.079337
+    1SOL     H6    6   0.124091  -0.071906  -0.138320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010269  -0.139699  -0.082494
+    0SOL     H2    2   0.046297  -0.167696   0.001652
+    0SOL     H3    3  -0.017428  -0.049253  -0.067841
+    1SOL     O4    4  -0.015410   0.139791   0.072308
+    1SOL     H5    5   0.079025   0.126930   0.063423
+    1SOL     H6    6  -0.038734   0.092112   0.151964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087301  -0.120184   0.052541
+    0SOL     H2    2  -0.040548  -0.202681   0.039478
+    0SOL     H3    3  -0.068934  -0.096317   0.143400
+    1SOL     O4    4   0.080632   0.120678  -0.062400
+    1SOL     H5    5   0.042040   0.124608   0.025107
+    1SOL     H6    6   0.164604   0.165783  -0.053643
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141993   0.056654   0.056795
+    0SOL     H2    2  -0.135328   0.112542   0.134219
+    0SOL     H3    3  -0.052088   0.049137   0.024812
+    1SOL     O4    4   0.134208  -0.057872  -0.053632
+    1SOL     H5    5   0.221695  -0.035638  -0.085475
+    1SOL     H6    6   0.093987  -0.106248  -0.125773
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079220  -0.107504   0.080671
+    0SOL     H2    2  -0.163364  -0.136039   0.045062
+    0SOL     H3    3  -0.096845  -0.090504   0.173206
+    1SOL     O4    4   0.086926   0.109073  -0.090108
+    1SOL     H5    5   0.098906   0.167770  -0.015452
+    1SOL     H6    6   0.042285   0.032658  -0.053634
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031186  -0.161076  -0.017734
+    0SOL     H2    2   0.007114  -0.087031   0.037946
+    0SOL     H3    3   0.104925  -0.202105   0.027449
+    1SOL     O4    4  -0.038904   0.155279   0.008315
+    1SOL     H5    5   0.037699   0.126088   0.057734
+    1SOL     H6    6  -0.036157   0.250791   0.013992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023073  -0.161989   0.020398
+    0SOL     H2    2   0.047976  -0.168746   0.084185
+    0SOL     H3    3  -0.091004  -0.111742   0.065374
+    1SOL     O4    4   0.019577   0.158867  -0.021019
+    1SOL     H5    5  -0.003100   0.216527  -0.093981
+    1SOL     H6    6   0.099570   0.114604  -0.049377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079686  -0.061131  -0.126973
+    0SOL     H2    2  -0.130514  -0.109143  -0.061599
+    0SOL     H3    3  -0.144257  -0.007378  -0.172838
+    1SOL     O4    4   0.085962   0.066871   0.126201
+    1SOL     H5    5   0.145155   0.005686   0.169961
+    1SOL     H6    6   0.024980   0.010976   0.078043
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091577  -0.045964   0.129725
+    0SOL     H2    2   0.138681   0.030587   0.162641
+    0SOL     H3    3   0.152930  -0.087735   0.069281
+    1SOL     O4    4  -0.095192   0.049602  -0.125473
+    1SOL     H5    5  -0.054307  -0.036873  -0.129065
+    1SOL     H6    6  -0.180268   0.037696  -0.167693
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004241  -0.073872   0.157827
+    0SOL     H2    2  -0.030025   0.008972   0.117399
+    0SOL     H3    3   0.066143  -0.106933   0.102011
+    1SOL     O4    4   0.005079   0.068636  -0.148226
+    1SOL     H5    5  -0.041482   0.029231  -0.221993
+    1SOL     H6    6  -0.018824   0.161266  -0.151479
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045747  -0.159810   0.062081
+    0SOL     H2    2  -0.016721  -0.218685  -0.007587
+    0SOL     H3    3  -0.108391  -0.101289   0.019499
+    1SOL     O4    4   0.042408   0.162911  -0.057474
+    1SOL     H5    5   0.057182   0.133083   0.032271
+    1SOL     H6    6   0.122594   0.139306  -0.104116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077987   0.124326  -0.109312
+    0SOL     H2    2  -0.004734   0.161217  -0.078350
+    0SOL     H3    3   0.083722   0.038935  -0.066441
+    1SOL     O4    4  -0.067105  -0.120806   0.104703
+    1SOL     H5    5  -0.127814  -0.064838   0.153121
+    1SOL     H6    6  -0.122629  -0.188285   0.065640
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059491   0.095334   0.143285
+    0SOL     H2    2  -0.091929   0.046157   0.067841
+    0SOL     H3    3  -0.134275   0.147951   0.171591
+    1SOL     O4    4   0.064496  -0.101774  -0.141313
+    1SOL     H5    5   0.120166  -0.055848  -0.078432
+    1SOL     H6    6   0.025650  -0.032161  -0.194297
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127028   0.140591   0.000728
+    0SOL     H2    2  -0.114349   0.076923  -0.069614
+    0SOL     H3    3  -0.039732   0.176494   0.016622
+    1SOL     O4    4   0.127293  -0.140355   0.006000
+    1SOL     H5    5   0.116920  -0.084935  -0.071352
+    1SOL     H6    6   0.039968  -0.176293   0.021659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028613   0.195591   0.058074
+    0SOL     H2    2  -0.063273   0.277693   0.023141
+    0SOL     H3    3   0.056940   0.185931   0.016245
+    1SOL     O4    4   0.022727  -0.193855  -0.055840
+    1SOL     H5    5   0.090509  -0.242452  -0.102810
+    1SOL     H6    6   0.008214  -0.244233   0.024246
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057525  -0.002359   0.209201
+    0SOL     H2    2  -0.135273   0.052562   0.219257
+    0SOL     H3    3  -0.068503  -0.044082   0.123755
+    1SOL     O4    4   0.056961   0.002586  -0.200519
+    1SOL     H5    5   0.069338  -0.052361  -0.277913
+    1SOL     H6    6   0.141606   0.045403  -0.187699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009579  -0.004818  -0.217523
+    0SOL     H2    2  -0.091584   0.000733  -0.266580
+    0SOL     H3    3   0.040235  -0.073559  -0.261745
+    1SOL     O4    4   0.016950   0.011390   0.224922
+    1SOL     H5    5  -0.069867   0.027206   0.262004
+    1SOL     H6    6   0.002198  -0.053494   0.156112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057559  -0.160667   0.143004
+    0SOL     H2    2   0.077233  -0.155284   0.236526
+    0SOL     H3    3   0.064509  -0.253872   0.122344
+    1SOL     O4    4  -0.060205   0.158699  -0.148387
+    1SOL     H5    5  -0.014387   0.200993  -0.075762
+    1SOL     H6    6  -0.088312   0.231040  -0.204414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045409   0.236734  -0.036626
+    0SOL     H2    2  -0.013973   0.163644  -0.053767
+    0SOL     H3    3   0.127303   0.211652  -0.079365
+    1SOL     O4    4  -0.044426  -0.228245   0.035242
+    1SOL     H5    5  -0.135848  -0.253447   0.048255
+    1SOL     H6    6  -0.000604  -0.254222   0.116280
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.008976   0.052329  -0.243899
+    0SOL     H2    2  -0.070413  -0.018225  -0.223651
+    0SOL     H3    3   0.027970   0.077044  -0.159126
+    1SOL     O4    4   0.014348  -0.044286   0.238213
+    1SOL     H5    5  -0.021507  -0.092534   0.163722
+    1SOL     H6    6  -0.018726  -0.090768   0.315076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011008   0.248267  -0.029932
+    0SOL     H2    2   0.084773   0.279871  -0.082107
+    0SOL     H3    3  -0.041475   0.196825  -0.091263
+    1SOL     O4    4  -0.009009  -0.241818   0.038983
+    1SOL     H5    5  -0.091525  -0.246245  -0.009326
+    1SOL     H6    6   0.027437  -0.330080   0.032372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.160538   0.026280   0.246124
+    0SOL     H2    2  -0.100055  -0.010466   0.310575
+    0SOL     H3    3  -0.141642  -0.021626   0.165437
+    1SOL     O4    4   0.157635  -0.020155  -0.238527
+    1SOL     H5    5   0.216271  -0.034625  -0.312789
+    1SOL     H6    6   0.069724  -0.024700  -0.276120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055272  -0.320140   0.121320
+    0SOL     H2    2   0.023242  -0.329814   0.031638
+    0SOL     H3    3   0.060770  -0.225529   0.134765
+    1SOL     O4    4  -0.055600   0.308449  -0.118080
+    1SOL     H5    5  -0.093038   0.388112  -0.155689
+    1SOL     H6    6   0.012751   0.339716  -0.058811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027152   0.079021   0.347765
+    0SOL     H2    2   0.045499   0.126575   0.307480
+    0SOL     H3    3  -0.094854   0.145376   0.361020
+    1SOL     O4    4   0.023759  -0.088303  -0.350713
+    1SOL     H5    5   0.118294  -0.073417  -0.348778
+    1SOL     H6    6  -0.008720  -0.046744  -0.270836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123691   0.371500   0.005149
+    0SOL     H2    2   0.148906   0.419942   0.083762
+    0SOL     H3    3   0.176910   0.409667  -0.064661
+    1SOL     O4    4  -0.128129  -0.377670  -0.012525
+    1SOL     H5    5  -0.056015  -0.384562   0.050040
+    1SOL     H6    6  -0.202365  -0.347235   0.039677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094858   0.400511  -0.066741
+    0SOL     H2    2   0.016249   0.346472  -0.074664
+    0SOL     H3    3   0.132260   0.376196   0.017948
+    1SOL     O4    4  -0.090711  -0.400789   0.066556
+    1SOL     H5    5  -0.039840  -0.361556  -0.004403
+    1SOL     H6    6  -0.174499  -0.354558   0.064422
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054721   0.081434  -0.418168
+    0SOL     H2    2  -0.117559   0.074131  -0.490004
+    0SOL     H3    3  -0.001871   0.001865  -0.424331
+    1SOL     O4    4   0.059973  -0.078945   0.426381
+    1SOL     H5    5   0.067307  -0.053224   0.334473
+    1SOL     H6    6  -0.030242  -0.057545   0.450164
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034285  -0.341784  -0.275879
+    0SOL     H2    2  -0.061721  -0.254987  -0.305473
+    0SOL     H3    3  -0.095085  -0.363359  -0.205167
+    1SOL     O4    4   0.035590   0.337419   0.268061
+    1SOL     H5    5   0.022978   0.393571   0.344549
+    1SOL     H6    6   0.116028   0.289040   0.286808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011858  -0.269957  -0.422147
+    0SOL     H2    2  -0.035343  -0.254373  -0.513624
+    0SOL     H3    3   0.036233  -0.191433  -0.396004
+    1SOL     O4    4   0.008063   0.259408   0.429180
+    1SOL     H5    5   0.101359   0.274345   0.413848
+    1SOL     H6    6  -0.034997   0.336367   0.391958
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/280K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120299  -0.626230   0.258391
+    0SOL     H2    2   0.155623  -0.612006   0.170572
+    0SOL     H3    3   0.070576  -0.707719   0.251350
+    1SOL     O4    4  -0.123434   0.627719  -0.258541
+    1SOL     H5    5  -0.030597   0.611411  -0.241875
+    1SOL     H6    6  -0.151974   0.681553  -0.184719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119723  -0.032724   0.007692
+    0SOL     H2    2  -0.153125  -0.038309  -0.081837
+    0SOL     H3    3  -0.173130   0.035099   0.049045
+    1SOL     O4    4   0.128411   0.033329  -0.008692
+    1SOL     H5    5   0.168077  -0.035754   0.044378
+    1SOL     H6    6   0.034287   0.023662   0.005790
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094596   0.085895   0.011857
+    0SOL     H2    2  -0.169746   0.056055  -0.039371
+    0SOL     H3    3  -0.067179   0.167075  -0.030807
+    1SOL     O4    4   0.100694  -0.090667  -0.011731
+    1SOL     H5    5   0.114967  -0.125961   0.076092
+    1SOL     H6    6   0.029691  -0.027390  -0.000918
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024113   0.123327   0.023556
+    0SOL     H2    2  -0.106071   0.172588   0.019251
+    0SOL     H3    3   0.037711   0.175042  -0.028073
+    1SOL     O4    4   0.024890  -0.133407  -0.025515
+    1SOL     H5    5   0.051731  -0.149690   0.064910
+    1SOL     H6    6   0.001430  -0.040622  -0.027247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057703  -0.075620  -0.085143
+    0SOL     H2    2  -0.112539  -0.062870  -0.162556
+    0SOL     H3    3  -0.004090  -0.152113  -0.106043
+    1SOL     O4    4   0.057422   0.086237   0.092109
+    1SOL     H5    5   0.117538   0.024306   0.133497
+    1SOL     H6    6   0.003498   0.032321   0.034251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102327  -0.075400  -0.055798
+    0SOL     H2    2  -0.055179  -0.107095  -0.132836
+    0SOL     H3    3  -0.035342  -0.032299  -0.002717
+    1SOL     O4    4   0.095893   0.068951   0.053200
+    1SOL     H5    5   0.087515   0.160234   0.025640
+    1SOL     H6    6   0.102842   0.073218   0.148572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043944  -0.125007  -0.032447
+    0SOL     H2    2   0.014687  -0.034083  -0.038711
+    0SOL     H3    3   0.082663  -0.143705  -0.117966
+    1SOL     O4    4  -0.041485   0.116527   0.040669
+    1SOL     H5    5  -0.131871   0.145220   0.053686
+    1SOL     H6    6  -0.008176   0.173024  -0.029051
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072531   0.066221  -0.084099
+    0SOL     H2    2   0.080135   0.075327  -0.179081
+    0SOL     H3    3   0.161654   0.078905  -0.051563
+    1SOL     O4    4  -0.078579  -0.064338   0.093136
+    1SOL     H5    5  -0.111098  -0.151325   0.069942
+    1SOL     H6    6  -0.029239  -0.035863   0.016213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046290  -0.123051   0.000274
+    0SOL     H2    2   0.140232  -0.120971   0.018518
+    0SOL     H3    3   0.039455  -0.164534  -0.085719
+    1SOL     O4    4  -0.057210   0.127731   0.005903
+    1SOL     H5    5   0.017203   0.176267  -0.029726
+    1SOL     H6    6  -0.032397   0.035726  -0.003133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075448  -0.095560  -0.054994
+    0SOL     H2    2  -0.001583  -0.121944  -0.105318
+    0SOL     H3    3   0.095449  -0.171439  -0.000179
+    1SOL     O4    4  -0.075048   0.100266   0.060332
+    1SOL     H5    5  -0.067629   0.185743   0.017893
+    1SOL     H6    6  -0.028629   0.040342   0.001880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019363   0.061338  -0.115083
+    0SOL     H2    2   0.033751   0.004802  -0.171163
+    0SOL     H3    3  -0.100941   0.073509  -0.163655
+    1SOL     O4    4   0.017987  -0.062795   0.125978
+    1SOL     H5    5  -0.018731  -0.026678   0.045295
+    1SOL     H6    6   0.107843  -0.029888   0.128287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113900   0.048171  -0.050837
+    0SOL     H2    2   0.142277   0.053275   0.040437
+    0SOL     H3    3   0.139512   0.132284  -0.088671
+    1SOL     O4    4  -0.118737  -0.059266   0.044420
+    1SOL     H5    5  -0.040248  -0.005695   0.032935
+    1SOL     H6    6  -0.172344  -0.010241   0.106750
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018208  -0.045853  -0.130905
+    0SOL     H2    2   0.029139  -0.028511  -0.037406
+    0SOL     H3    3   0.040795  -0.138324  -0.140963
+    1SOL     O4    4  -0.019064   0.047586   0.120339
+    1SOL     H5    5  -0.055257   0.003146   0.197003
+    1SOL     H6    6  -0.002292   0.136996   0.150121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029120  -0.102791   0.079523
+    0SOL     H2    2  -0.119563  -0.133572   0.073610
+    0SOL     H3    3   0.023530  -0.182727   0.078813
+    1SOL     O4    4   0.029202   0.114063  -0.082854
+    1SOL     H5    5  -0.027013   0.044868  -0.048007
+    1SOL     H6    6   0.116812   0.092018  -0.051220
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052283   0.037282  -0.118634
+    0SOL     H2    2  -0.122238   0.102474  -0.122947
+    0SOL     H3    3  -0.096009  -0.046037  -0.136191
+    1SOL     O4    4   0.059039  -0.043355   0.122085
+    1SOL     H5    5   0.058045  -0.006651   0.033688
+    1SOL     H6    6   0.054095   0.032867   0.179776
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103443  -0.079668   0.035869
+    0SOL     H2    2  -0.180888  -0.024954   0.048949
+    0SOL     H3    3  -0.121602  -0.128101  -0.044671
+    1SOL     O4    4   0.108795   0.083829  -0.035814
+    1SOL     H5    5   0.187133   0.058865   0.013199
+    1SOL     H6    6   0.042072   0.021089  -0.007993
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053114   0.082999  -0.094826
+    0SOL     H2    2  -0.147450   0.097401  -0.087370
+    0SOL     H3    3  -0.045025   0.004620  -0.149174
+    1SOL     O4    4   0.059242  -0.086223   0.096484
+    1SOL     H5    5   0.100707  -0.034346   0.165417
+    1SOL     H6    6   0.005756  -0.023353   0.048019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128044   0.064096   0.019437
+    0SOL     H2    2  -0.094167   0.126565  -0.044690
+    0SOL     H3    3  -0.063113  -0.006215   0.021067
+    1SOL     O4    4   0.123810  -0.057405  -0.017071
+    1SOL     H5    5   0.141006  -0.102590   0.065542
+    1SOL     H6    6   0.085101  -0.124377  -0.073450
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055665   0.129495   0.024672
+    0SOL     H2    2  -0.061637   0.185685  -0.052590
+    0SOL     H3    3  -0.030937   0.043724  -0.009886
+    1SOL     O4    4   0.048846  -0.126481  -0.020557
+    1SOL     H5    5   0.083202  -0.117870   0.068369
+    1SOL     H6    6   0.122847  -0.158998  -0.071830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040197  -0.004982   0.129716
+    0SOL     H2    2  -0.009293   0.067322   0.168253
+    0SOL     H3    3   0.098900  -0.033822   0.199606
+    1SOL     O4    4  -0.037870   0.000993  -0.141838
+    1SOL     H5    5  -0.125454   0.037175  -0.128342
+    1SOL     H6    6  -0.001548  -0.007457  -0.053681
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042906  -0.110268  -0.076883
+    0SOL     H2    2  -0.133646  -0.088714  -0.055343
+    0SOL     H3    3  -0.031488  -0.079065  -0.166651
+    1SOL     O4    4   0.045265   0.114171   0.078087
+    1SOL     H5    5   0.047397   0.081434   0.168009
+    1SOL     H6    6   0.071314   0.039171   0.024619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032462   0.132920  -0.013867
+    0SOL     H2    2  -0.038900   0.191952  -0.038054
+    0SOL     H3    3   0.097635   0.144461  -0.083016
+    1SOL     O4    4  -0.031694  -0.139836   0.026137
+    1SOL     H5    5  -0.031452  -0.189312  -0.055804
+    1SOL     H6    6  -0.033536  -0.048124  -0.001211
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123885   0.063722  -0.022696
+    0SOL     H2    2   0.187489   0.011222   0.025891
+    0SOL     H3    3   0.104888   0.137772   0.034907
+    1SOL     O4    4  -0.130063  -0.069974   0.012989
+    1SOL     H5    5  -0.036387  -0.050306   0.013455
+    1SOL     H6    6  -0.169037  -0.002461   0.068535
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121857   0.045511  -0.067895
+    0SOL     H2    2   0.124256   0.139919  -0.083509
+    0SOL     H3    3   0.042686   0.031795  -0.015874
+    1SOL     O4    4  -0.117431  -0.044276   0.061725
+    1SOL     H5    5  -0.146516  -0.132135   0.037290
+    1SOL     H6    6  -0.092133  -0.052087   0.153710
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105739   0.090083   0.022363
+    0SOL     H2    2   0.167821   0.046771  -0.036222
+    0SOL     H3    3   0.144213   0.080435   0.109478
+    1SOL     O4    4  -0.112942  -0.086002  -0.030414
+    1SOL     H5    5  -0.060342  -0.029190   0.025870
+    1SOL     H6    6  -0.151575  -0.149949   0.029424
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112383  -0.002665  -0.094552
+    0SOL     H2    2  -0.030972   0.012679  -0.046604
+    0SOL     H3    3  -0.095658   0.032337  -0.182059
+    1SOL     O4    4   0.102794  -0.001703   0.091943
+    1SOL     H5    5   0.197497   0.011830   0.088697
+    1SOL     H6    6   0.079546   0.013219   0.183590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120915  -0.032720  -0.065007
+    0SOL     H2    2   0.110352  -0.125892  -0.045776
+    0SOL     H3    3   0.127459  -0.028498  -0.160410
+    1SOL     O4    4  -0.123076   0.037073   0.076444
+    1SOL     H5    5  -0.043571   0.003485   0.035054
+    1SOL     H6    6  -0.165178   0.089631   0.008419
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080697  -0.063899   0.106950
+    0SOL     H2    2   0.049307  -0.154220   0.111320
+    0SOL     H3    3   0.049140  -0.031581   0.022558
+    1SOL     O4    4  -0.072073   0.063155  -0.104769
+    1SOL     H5    5  -0.087414   0.155723  -0.123697
+    1SOL     H6    6  -0.141738   0.039298  -0.043615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064128   0.032942  -0.123069
+    0SOL     H2    2   0.143224  -0.010778  -0.091529
+    0SOL     H3    3   0.088667   0.125239  -0.129501
+    1SOL     O4    4  -0.072710  -0.041919   0.124269
+    1SOL     H5    5  -0.040552  -0.026370   0.035463
+    1SOL     H6    6  -0.067176   0.043506   0.167097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066794  -0.077887  -0.105659
+    0SOL     H2    2  -0.001494  -0.022651  -0.062680
+    0SOL     H3    3  -0.018461  -0.122508  -0.175195
+    1SOL     O4    4   0.059189   0.078952   0.100967
+    1SOL     H5    5   0.004397   0.108682   0.173604
+    1SOL     H6    6   0.124258   0.021846   0.141799
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049621  -0.130643   0.031850
+    0SOL     H2    2  -0.084508  -0.147155  -0.055743
+    0SOL     H3    3  -0.126995  -0.114570   0.085862
+    1SOL     O4    4   0.062376   0.131359  -0.032658
+    1SOL     H5    5   0.026104   0.054877   0.012032
+    1SOL     H6    6  -0.007790   0.196400  -0.029698
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.100486  -0.103326  -0.044111
+    0SOL     H2    2   0.147166  -0.021406  -0.060613
+    0SOL     H3    3   0.008373  -0.081839  -0.058805
+    1SOL     O4    4  -0.091478   0.098886   0.047712
+    1SOL     H5    5  -0.154285   0.142390  -0.009951
+    1SOL     H6    6  -0.137258   0.020607   0.078355
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128466  -0.047672   0.028481
+    0SOL     H2    2   0.139715  -0.138076   0.057854
+    0SOL     H3    3   0.189235   0.002848   0.082492
+    1SOL     O4    4  -0.137995   0.048031  -0.028907
+    1SOL     H5    5  -0.045726   0.022949  -0.024480
+    1SOL     H6    6  -0.143954   0.104035  -0.106304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006370  -0.117155   0.094327
+    0SOL     H2    2  -0.032476  -0.182638   0.036317
+    0SOL     H3    3   0.015600  -0.039124   0.039663
+    1SOL     O4    4  -0.002432   0.110470  -0.088028
+    1SOL     H5    5   0.048290   0.190903  -0.077060
+    1SOL     H6    6  -0.093550   0.139695  -0.090412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026626  -0.144726   0.034524
+    0SOL     H2    2   0.058185  -0.184292   0.014424
+    0SOL     H3    3  -0.005054  -0.058615   0.070328
+    1SOL     O4    4   0.023812   0.144166  -0.029919
+    1SOL     H5    5   0.055424   0.125090  -0.118232
+    1SOL     H6    6  -0.070106   0.126049  -0.033612
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030728   0.127598   0.059760
+    0SOL     H2    2   0.080565   0.186798   0.003422
+    0SOL     H3    3  -0.047752   0.177145   0.083174
+    1SOL     O4    4  -0.031584  -0.136585  -0.063560
+    1SOL     H5    5  -0.024543  -0.168966   0.026241
+    1SOL     H6    6   0.004921  -0.048166  -0.060120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010609   0.113632   0.092384
+    0SOL     H2    2   0.093175   0.081897   0.128965
+    0SOL     H3    3   0.036112   0.185065   0.033996
+    1SOL     O4    4  -0.017617  -0.117140  -0.097933
+    1SOL     H5    5  -0.032835  -0.182817  -0.029983
+    1SOL     H6    6   0.002691  -0.036984  -0.049717
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024944   0.104641  -0.096385
+    0SOL     H2    2   0.118026   0.116547  -0.077511
+    0SOL     H3    3  -0.006823   0.192574  -0.116901
+    1SOL     O4    4  -0.030497  -0.112852   0.102408
+    1SOL     H5    5  -0.050839  -0.025845   0.068081
+    1SOL     H6    6   0.025321  -0.152577   0.035561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032634  -0.131040   0.051112
+    0SOL     H2    2  -0.068114  -0.206027   0.003358
+    0SOL     H3    3  -0.083668  -0.127788   0.132028
+    1SOL     O4    4   0.040824   0.140443  -0.052988
+    1SOL     H5    5  -0.045789   0.131274  -0.092692
+    1SOL     H6    6   0.059050   0.054478  -0.015039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003835  -0.097334  -0.115523
+    0SOL     H2    2  -0.004532  -0.005425  -0.088793
+    0SOL     H3    3  -0.063003  -0.100919  -0.190680
+    1SOL     O4    4   0.010050   0.088313   0.112974
+    1SOL     H5    5  -0.068925   0.067581   0.162930
+    1SOL     H6    6   0.043809   0.168186   0.153507
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067775   0.079009  -0.100569
+    0SOL     H2    2  -0.027034   0.061706  -0.185441
+    0SOL     H3    3  -0.153834   0.114939  -0.122139
+    1SOL     O4    4   0.070048  -0.077893   0.113210
+    1SOL     H5    5   0.044175  -0.029223   0.034953
+    1SOL     H6    6   0.101068  -0.162110   0.079932
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015421   0.134575  -0.067731
+    0SOL     H2    2  -0.045687   0.062176  -0.054073
+    0SOL     H3    3  -0.037229   0.202921  -0.109194
+    1SOL     O4    4  -0.014872  -0.131601   0.068009
+    1SOL     H5    5   0.058961  -0.092087   0.114373
+    1SOL     H6    6   0.016539  -0.218297   0.042330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127495  -0.074119  -0.053245
+    0SOL     H2    2  -0.172378   0.008684  -0.036170
+    0SOL     H3    3  -0.038655  -0.048581  -0.078098
+    1SOL     O4    4   0.124852   0.061748   0.051482
+    1SOL     H5    5   0.066636   0.133866   0.027561
+    1SOL     H6    6   0.184543   0.099508   0.116084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078450   0.083184  -0.094108
+    0SOL     H2    2  -0.026517   0.161537  -0.112168
+    0SOL     H3    3  -0.164237   0.116727  -0.068076
+    1SOL     O4    4   0.087014  -0.090039   0.093957
+    1SOL     H5    5   0.030346  -0.063473   0.021533
+    1SOL     H6    6   0.026759  -0.108918   0.165897
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067295   0.019530   0.140765
+    0SOL     H2    2  -0.160313  -0.001619   0.132860
+    0SOL     H3    3  -0.035867   0.023678   0.050447
+    1SOL     O4    4   0.067170  -0.021368  -0.130665
+    1SOL     H5    5   0.090396  -0.046769  -0.219983
+    1SOL     H6    6   0.116491   0.059162  -0.115023
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070682  -0.080990   0.119994
+    0SOL     H2    2  -0.009405  -0.031343   0.103155
+    0SOL     H3    3   0.121084  -0.073437   0.038970
+    1SOL     O4    4  -0.071806   0.071145  -0.112845
+    1SOL     H5    5   0.010239   0.093051  -0.157015
+    1SOL     H6    6  -0.105896   0.155263  -0.082442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066152   0.034768   0.137806
+    0SOL     H2    2  -0.025678   0.017759   0.116823
+    0SOL     H3    3   0.102030  -0.051172   0.159931
+    1SOL     O4    4  -0.061345  -0.034761  -0.139336
+    1SOL     H5    5  -0.146592   0.007569  -0.149504
+    1SOL     H6    6  -0.004380   0.033982  -0.104815
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104192   0.116860   0.005870
+    0SOL     H2    2   0.108556   0.175314   0.081543
+    0SOL     H3    3   0.054764   0.041011   0.036954
+    1SOL     O4    4  -0.099700  -0.109627  -0.014195
+    1SOL     H5    5  -0.066309  -0.159860   0.060129
+    1SOL     H6    6  -0.161539  -0.168673  -0.057228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035013   0.147515   0.056943
+    0SOL     H2    2  -0.077664   0.065161   0.080629
+    0SOL     H3    3   0.054685   0.122562   0.034719
+    1SOL     O4    4   0.029731  -0.138190  -0.051580
+    1SOL     H5    5   0.076603  -0.221585  -0.054822
+    1SOL     H6    6   0.025994  -0.109201  -0.142728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090322  -0.114922  -0.066613
+    0SOL     H2    2   0.062790  -0.043998  -0.008526
+    0SOL     H3    3   0.028942  -0.186072  -0.048378
+    1SOL     O4    4  -0.079321   0.113543   0.057482
+    1SOL     H5    5  -0.171090   0.088413   0.047029
+    1SOL     H6    6  -0.077046   0.162427   0.139746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016960  -0.150088  -0.043924
+    0SOL     H2    2  -0.034631  -0.070568  -0.030612
+    0SOL     H3    3  -0.047051  -0.216020  -0.070717
+    1SOL     O4    4  -0.014800   0.145886   0.049071
+    1SOL     H5    5   0.079890   0.156226   0.058517
+    1SOL     H6    6  -0.036001   0.192014  -0.032077
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054740   0.137093   0.023138
+    0SOL     H2    2   0.135878   0.185517   0.038433
+    0SOL     H3    3  -0.007549   0.203414  -0.006593
+    1SOL     O4    4  -0.052795  -0.146065  -0.028028
+    1SOL     H5    5  -0.029143  -0.070338   0.025528
+    1SOL     H6    6  -0.126310  -0.186206   0.018304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046322  -0.155339   0.021738
+    0SOL     H2    2   0.137572  -0.141008   0.046848
+    0SOL     H3    3   0.008403  -0.067532   0.017936
+    1SOL     O4    4  -0.043435   0.148339  -0.025637
+    1SOL     H5    5  -0.059034   0.202776   0.051536
+    1SOL     H6    6  -0.130161   0.116145  -0.050224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022886  -0.146316   0.100979
+    0SOL     H2    2   0.066711  -0.061298   0.104669
+    0SOL     H3    3  -0.069476  -0.126389   0.116293
+    1SOL     O4    4  -0.021201   0.142988  -0.107871
+    1SOL     H5    5  -0.021576   0.184501  -0.021622
+    1SOL     H6    6  -0.000578   0.051195  -0.090234
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133477   0.021258   0.100286
+    0SOL     H2    2   0.123939   0.057999   0.188158
+    0SOL     H3    3   0.225090  -0.006067   0.095513
+    1SOL     O4    4  -0.136832  -0.027813  -0.103573
+    1SOL     H5    5  -0.084306   0.050884  -0.089078
+    1SOL     H6    6  -0.217443   0.004251  -0.144022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124939  -0.123891  -0.047470
+    0SOL     H2    2   0.084897  -0.206634  -0.020775
+    0SOL     H3    3   0.052140  -0.071870  -0.081476
+    1SOL     O4    4  -0.115049   0.127025   0.042346
+    1SOL     H5    5  -0.073186   0.100461   0.124225
+    1SOL     H6    6  -0.208584   0.128592   0.062623
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014477  -0.095662  -0.154106
+    0SOL     H2    2   0.017596  -0.017400  -0.109286
+    0SOL     H3    3  -0.073580  -0.062172  -0.221542
+    1SOL     O4    4   0.013654   0.094434   0.152952
+    1SOL     H5    5   0.100791   0.077167   0.188605
+    1SOL     H6    6  -0.032668   0.011093   0.161371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102682   0.001650   0.148220
+    0SOL     H2    2   0.037792  -0.035746   0.207828
+    0SOL     H3    3   0.143148  -0.074208   0.106144
+    1SOL     O4    4  -0.095241   0.002922  -0.150958
+    1SOL     H5    5  -0.171635   0.005342  -0.208581
+    1SOL     H6    6  -0.127880   0.034008  -0.066515
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033757   0.106501  -0.162559
+    0SOL     H2    2  -0.110998   0.050777  -0.172096
+    0SOL     H3    3  -0.015952   0.106950  -0.068510
+    1SOL     O4    4   0.042617  -0.101512   0.153675
+    1SOL     H5    5  -0.035901  -0.148846   0.126168
+    1SOL     H6    6   0.028768  -0.084109   0.246775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002111   0.188647   0.013663
+    0SOL     H2    2  -0.079983   0.204841   0.060145
+    0SOL     H3    3   0.053079   0.268665   0.026380
+    1SOL     O4    4  -0.001277  -0.199935  -0.018651
+    1SOL     H5    5  -0.056977  -0.125383  -0.041054
+    1SOL     H6    6   0.067568  -0.162744   0.036481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000485  -0.020373  -0.192783
+    0SOL     H2    2   0.002777  -0.109816  -0.226719
+    0SOL     H3    3  -0.093909  -0.000650  -0.186054
+    1SOL     O4    4   0.001937   0.018877   0.196371
+    1SOL     H5    5   0.084682   0.017625   0.148267
+    1SOL     H6    6  -0.016143   0.111790   0.210608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128381   0.035169  -0.151539
+    0SOL     H2    2  -0.174194   0.070666  -0.075359
+    0SOL     H3    3  -0.075555  -0.036555  -0.116504
+    1SOL     O4    4   0.129961  -0.027102   0.147693
+    1SOL     H5    5   0.154400  -0.114630   0.177757
+    1SOL     H6    6   0.073220  -0.042634   0.072185
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051918  -0.095858   0.165605
+    0SOL     H2    2  -0.129502  -0.039944   0.161541
+    0SOL     H3    3   0.001806  -0.057365   0.234846
+    1SOL     O4    4   0.057279   0.092517  -0.173651
+    1SOL     H5    5  -0.013488   0.141304  -0.131529
+    1SOL     H6    6   0.050101   0.004059  -0.137791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.049874   0.168876  -0.096489
+    0SOL     H2    2   0.139770   0.193885  -0.075146
+    0SOL     H3    3   0.056828   0.078649  -0.127684
+    1SOL     O4    4  -0.052973  -0.161554   0.102050
+    1SOL     H5    5  -0.100276  -0.244622   0.106980
+    1SOL     H6    6  -0.036935  -0.148580   0.008580
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104261   0.084309   0.145719
+    0SOL     H2    2  -0.171004   0.128961   0.197813
+    0SOL     H3    3  -0.134257  -0.006467   0.140999
+    1SOL     O4    4   0.114982  -0.086632  -0.147564
+    1SOL     H5    5   0.065594  -0.069767  -0.227806
+    1SOL     H6    6   0.082475  -0.021635  -0.085267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112283   0.080143  -0.146476
+    0SOL     H2    2  -0.201596   0.094047  -0.114978
+    0SOL     H3    3  -0.068710   0.164299  -0.133002
+    1SOL     O4    4   0.118015  -0.087823   0.149873
+    1SOL     H5    5   0.149745  -0.026470   0.083606
+    1SOL     H6    6   0.034675  -0.119644   0.115171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034820  -0.184400   0.086675
+    0SOL     H2    2  -0.049585  -0.222543   0.110825
+    0SOL     H3    3   0.049832  -0.116047   0.151980
+    1SOL     O4    4  -0.027998   0.188697  -0.093027
+    1SOL     H5    5  -0.009731   0.104542  -0.134819
+    1SOL     H6    6  -0.096658   0.169386  -0.029188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.151803  -0.139358   0.023411
+    0SOL     H2    2   0.126713  -0.140119   0.115782
+    0SOL     H3    3   0.227350  -0.197939   0.018581
+    1SOL     O4    4  -0.154836   0.147229  -0.032686
+    1SOL     H5    5  -0.139598   0.157826   0.061217
+    1SOL     H6    6  -0.165741   0.052899  -0.044735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061886  -0.157485  -0.124735
+    0SOL     H2    2   0.140146  -0.200889  -0.090769
+    0SOL     H3    3   0.004698  -0.229162  -0.152198
+    1SOL     O4    4  -0.059244   0.167460   0.128829
+    1SOL     H5    5  -0.088439   0.076724   0.137597
+    1SOL     H6    6  -0.094994   0.196161   0.044803
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095820   0.112917   0.162423
+    0SOL     H2    2   0.079980   0.167145   0.239694
+    0SOL     H3    3   0.188916   0.124674   0.143527
+    1SOL     O4    4  -0.101385  -0.109719  -0.165562
+    1SOL     H5    5  -0.044581  -0.157304  -0.226153
+    1SOL     H6    6  -0.135766  -0.177127  -0.106942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101913  -0.211819   0.039043
+    0SOL     H2    2  -0.136785  -0.236265   0.124767
+    0SOL     H3    3  -0.019750  -0.166739   0.058524
+    1SOL     O4    4   0.099094   0.205278  -0.040116
+    1SOL     H5    5   0.037133   0.226424  -0.109944
+    1SOL     H6    6   0.166234   0.273229  -0.046217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001631  -0.017374   0.237941
+    0SOL     H2    2  -0.002787   0.028176   0.322013
+    0SOL     H3    3   0.066981  -0.086036   0.251252
+    1SOL     O4    4  -0.002175   0.021121  -0.248719
+    1SOL     H5    5   0.034677   0.011566  -0.160896
+    1SOL     H6    6  -0.091517  -0.012364  -0.241029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082574   0.132599  -0.196519
+    0SOL     H2    2  -0.011515   0.163033  -0.140068
+    0SOL     H3    3  -0.161906   0.168319  -0.156609
+    1SOL     O4    4   0.082645  -0.131333   0.196576
+    1SOL     H5    5   0.132847  -0.212717   0.192262
+    1SOL     H6    6   0.035603  -0.127708   0.113292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088627   0.195743   0.132081
+    0SOL     H2    2   0.179739   0.167476   0.124218
+    0SOL     H3    3   0.093312   0.279079   0.178937
+    1SOL     O4    4  -0.091681  -0.205753  -0.134241
+    1SOL     H5    5  -0.174613  -0.169937  -0.102588
+    1SOL     H6    6  -0.043577  -0.129692  -0.166845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054925  -0.061763   0.248020
+    0SOL     H2    2   0.027860  -0.092708   0.284780
+    0SOL     H3    3  -0.079186   0.012794   0.302930
+    1SOL     O4    4   0.052649   0.054172  -0.249471
+    1SOL     H5    5   0.106977   0.132578  -0.257422
+    1SOL     H6    6  -0.021026   0.069936  -0.308513
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053345  -0.191769  -0.174751
+    0SOL     H2    2  -0.032246  -0.234604  -0.173415
+    0SOL     H3    3   0.104964  -0.239251  -0.109610
+    1SOL     O4    4  -0.054197   0.202000   0.174644
+    1SOL     H5    5   0.013355   0.143777   0.209416
+    1SOL     H6    6  -0.069757   0.170272   0.085685
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015689  -0.270361  -0.005625
+    0SOL     H2    2   0.000201  -0.254593  -0.098759
+    0SOL     H3    3  -0.063930  -0.239362   0.037529
+    1SOL     O4    4  -0.007093   0.269308   0.013058
+    1SOL     H5    5  -0.042858   0.330527  -0.051249
+    1SOL     H6    6  -0.038164   0.183451  -0.015674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055242  -0.083674   0.278477
+    0SOL     H2    2   0.005016  -0.048345   0.205050
+    0SOL     H3    3   0.143165  -0.047628   0.266963
+    1SOL     O4    4  -0.054302   0.077252  -0.268644
+    1SOL     H5    5  -0.146518   0.102904  -0.267857
+    1SOL     H6    6  -0.025508   0.093965  -0.358387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.167507  -0.016701  -0.241842
+    0SOL     H2    2  -0.178366   0.037369  -0.163607
+    0SOL     H3    3  -0.214036  -0.097859  -0.221572
+    1SOL     O4    4   0.166323   0.019903   0.231903
+    1SOL     H5    5   0.197913   0.071891   0.305806
+    1SOL     H6    6   0.216178  -0.061657   0.236884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069120   0.293335   0.046919
+    0SOL     H2    2   0.143480   0.234386   0.034347
+    0SOL     H3    3   0.018614   0.253479   0.117792
+    1SOL     O4    4  -0.074887  -0.284403  -0.046638
+    1SOL     H5    5   0.018043  -0.263695  -0.056511
+    1SOL     H6    6  -0.087771  -0.362900  -0.099879
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039799   0.012814  -0.337705
+    0SOL     H2    2  -0.008941  -0.017236  -0.423187
+    0SOL     H3    3  -0.134617   0.021000  -0.347938
+    1SOL     O4    4   0.039178  -0.012660   0.348956
+    1SOL     H5    5   0.088711   0.066867   0.329355
+    1SOL     H6    6   0.061106  -0.072753   0.277750
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094565   0.350089   0.065234
+    0SOL     H2    2  -0.142981   0.405291   0.003826
+    0SOL     H3    3  -0.002718   0.372682   0.050538
+    1SOL     O4    4   0.089572  -0.352215  -0.066590
+    1SOL     H5    5   0.044707  -0.369618   0.016154
+    1SOL     H6    6   0.180776  -0.375997  -0.049902
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025544  -0.317648  -0.220543
+    0SOL     H2    2   0.114251  -0.296993  -0.191102
+    0SOL     H3    3  -0.028633  -0.247383  -0.184627
+    1SOL     O4    4  -0.027430   0.318529   0.220352
+    1SOL     H5    5  -0.007549   0.303937   0.127864
+    1SOL     H6    6  -0.044596   0.231084   0.255296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004667   0.339721   0.196894
+    0SOL     H2    2   0.085559   0.386408   0.217853
+    0SOL     H3    3  -0.059388   0.373369   0.259561
+    1SOL     O4    4  -0.005189  -0.338096  -0.199687
+    1SOL     H5    5   0.013278  -0.416891  -0.148574
+    1SOL     H6    6  -0.028544  -0.370776  -0.286571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000402   0.386531   0.084081
+    0SOL     H2    2   0.016223   0.473541   0.120347
+    0SOL     H3    3  -0.075253   0.398770   0.025686
+    1SOL     O4    4   0.008318  -0.391815  -0.077233
+    1SOL     H5    5   0.027282  -0.417378  -0.167506
+    1SOL     H6    6  -0.085520  -0.372931  -0.076847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049421   0.413212  -0.132987
+    0SOL     H2    2  -0.136928   0.375795  -0.122754
+    0SOL     H3    3  -0.025849   0.443462  -0.045285
+    1SOL     O4    4   0.050349  -0.407299   0.130743
+    1SOL     H5    5   0.139978  -0.423434   0.101269
+    1SOL     H6    6   0.002382  -0.486386   0.106113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054636  -0.388041  -0.199058
+    0SOL     H2    2   0.053529  -0.478844  -0.229323
+    0SOL     H3    3   0.104539  -0.390563  -0.117415
+    1SOL     O4    4  -0.055918   0.388346   0.191859
+    1SOL     H5    5  -0.071572   0.478428   0.163530
+    1SOL     H6    6  -0.070444   0.390070   0.286455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061791   0.435073   0.159876
+    0SOL     H2    2   0.029173   0.501114   0.221007
+    0SOL     H3    3   0.130124   0.388986   0.208548
+    1SOL     O4    4  -0.068288  -0.431228  -0.163370
+    1SOL     H5    5  -0.007098  -0.485192  -0.113311
+    1SOL     H6    6  -0.056036  -0.458982  -0.254155
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.198152   0.457568   0.104506
+    0SOL     H2    2  -0.203398   0.371064   0.063861
+    0SOL     H3    3  -0.105455   0.468546   0.125694
+    1SOL     O4    4   0.196348  -0.447821  -0.100799
+    1SOL     H5    5   0.172794  -0.462925  -0.192338
+    1SOL     H6    6   0.158247  -0.521915  -0.053675
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083361   0.045701   0.505043
+    0SOL     H2    2  -0.069835   0.126133   0.555144
+    0SOL     H3    3  -0.148283  -0.003345   0.555461
+    1SOL     O4    4   0.090716  -0.044802  -0.506310
+    1SOL     H5    5   0.082402  -0.021105  -0.598677
+    1SOL     H6    6   0.024769  -0.112885  -0.492971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/290K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.843890  -0.959645  -0.653047
+    0SOL     H2    2  -0.802156  -0.880113  -0.686141
+    0SOL     H3    3  -0.786508  -1.030631  -0.681867
+    1SOL     O4    4   0.841633   0.953582   0.654034
+    1SOL     H5    5   0.755166   0.957364   0.694918
+    1SOL     H6    6   0.872297   1.044257   0.654312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060093  -0.103761  -0.030652
+    0SOL     H2    2   0.102438  -0.166688   0.027738
+    0SOL     H3    3   0.060024  -0.146689  -0.116207
+    1SOL     O4    4  -0.067206   0.112061   0.037311
+    1SOL     H5    5  -0.027524   0.165430  -0.031532
+    1SOL     H6    6  -0.029783   0.024872   0.024660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106488   0.059843   0.055496
+    0SOL     H2    2   0.075343   0.120200   0.122945
+    0SOL     H3    3   0.026918   0.029780   0.011598
+    1SOL     O4    4  -0.101706  -0.056063  -0.052516
+    1SOL     H5    5  -0.098443  -0.148803  -0.029042
+    1SOL     H6    6  -0.076081  -0.053727  -0.144712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105369   0.069616  -0.012640
+    0SOL     H2    2   0.071138   0.157220   0.005140
+    0SOL     H3    3   0.172629   0.056127   0.054117
+    1SOL     O4    4  -0.113710  -0.071191   0.008597
+    1SOL     H5    5  -0.092366  -0.164462   0.011291
+    1SOL     H6    6  -0.031300  -0.028372  -0.014584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071872  -0.077755  -0.071016
+    0SOL     H2    2  -0.079547  -0.148772  -0.007298
+    0SOL     H3    3  -0.160887  -0.065334  -0.103946
+    1SOL     O4    4   0.077502   0.079601   0.076230
+    1SOL     H5    5   0.133726   0.139323   0.026889
+    1SOL     H6    6   0.016426   0.044911   0.011202
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016819  -0.062220   0.110051
+    0SOL     H2    2   0.078649  -0.133890   0.095810
+    0SOL     H3    3   0.058999  -0.006832   0.175742
+    1SOL     O4    4  -0.025345   0.061059  -0.120064
+    1SOL     H5    5  -0.010593   0.002914  -0.045474
+    1SOL     H6    6  -0.006016   0.148578  -0.086461
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127586  -0.005799   0.011961
+    0SOL     H2    2   0.161931  -0.039160   0.094845
+    0SOL     H3    3   0.141702   0.088768   0.016460
+    1SOL     O4    4  -0.136104   0.006641  -0.016592
+    1SOL     H5    5  -0.042420   0.024166  -0.007736
+    1SOL     H6    6  -0.141217  -0.086697  -0.037189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095012  -0.096025   0.026829
+    0SOL     H2    2   0.022163  -0.033950   0.025372
+    0SOL     H3    3   0.154096  -0.065306  -0.041929
+    1SOL     O4    4  -0.092773   0.089152  -0.016493
+    1SOL     H5    5  -0.055151   0.158909  -0.070166
+    1SOL     H6    6  -0.154754   0.044983  -0.074543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044256  -0.112482  -0.052119
+    0SOL     H2    2  -0.047561  -0.138564  -0.044925
+    0SOL     H3    3   0.087361  -0.155836   0.021533
+    1SOL     O4    4  -0.040501   0.118319   0.053795
+    1SOL     H5    5  -0.011144   0.040333   0.006694
+    1SOL     H6    6  -0.086611   0.170218  -0.012104
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055171   0.113303  -0.005867
+    0SOL     H2    2  -0.142268   0.124559  -0.043941
+    0SOL     H3    3  -0.029918   0.201115   0.022658
+    1SOL     O4    4   0.064770  -0.119770   0.008076
+    1SOL     H5    5   0.019255  -0.038107  -0.012465
+    1SOL     H6    6  -0.001957  -0.187643  -0.002076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041645  -0.107809   0.057958
+    0SOL     H2    2  -0.022178  -0.178081   0.045679
+    0SOL     H3    3   0.044153  -0.093940   0.152634
+    1SOL     O4    4  -0.041735   0.113426  -0.068009
+    1SOL     H5    5  -0.001296   0.165747   0.001198
+    1SOL     H6    6  -0.019190   0.023031  -0.046036
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009542  -0.064076  -0.124175
+    0SOL     H2    2   0.013725  -0.042341  -0.031049
+    0SOL     H3    3  -0.015818   0.017786  -0.166810
+    1SOL     O4    4  -0.008935   0.054249   0.116455
+    1SOL     H5    5  -0.002475   0.033486   0.209673
+    1SOL     H6    6  -0.004253   0.149784   0.112767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060158   0.056264   0.113220
+    0SOL     H2    2   0.005254   0.037671   0.037048
+    0SOL     H3    3   0.145999   0.077186   0.076397
+    1SOL     O4    4  -0.062931  -0.050559  -0.105434
+    1SOL     H5    5  -0.083910  -0.125650  -0.049905
+    1SOL     H6    6  -0.022402  -0.088832  -0.183247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018455   0.028673   0.126202
+    0SOL     H2    2   0.066684   0.051560   0.163482
+    0SOL     H3    3  -0.081519   0.051843   0.194382
+    1SOL     O4    4   0.012157  -0.034590  -0.136390
+    1SOL     H5    5   0.003193  -0.005597  -0.045608
+    1SOL     H6    6   0.101450  -0.010123  -0.160691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.005403   0.020194  -0.131740
+    0SOL     H2    2  -0.008081   0.113967  -0.145421
+    0SOL     H3    3   0.072031  -0.004100  -0.196027
+    1SOL     O4    4  -0.004148  -0.025308   0.140691
+    1SOL     H5    5  -0.098850  -0.011487   0.142352
+    1SOL     H6    6   0.020320  -0.012837   0.048995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065752  -0.114164   0.029030
+    0SOL     H2    2   0.016948  -0.176904  -0.024300
+    0SOL     H3    3   0.061855  -0.149920   0.117735
+    1SOL     O4    4  -0.068026   0.120610  -0.035151
+    1SOL     H5    5  -0.027781   0.187157   0.020654
+    1SOL     H6    6  -0.014902   0.042225  -0.021152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003161   0.137206   0.000349
+    0SOL     H2    2   0.046844   0.126155   0.084801
+    0SOL     H3    3  -0.080959   0.177461   0.021928
+    1SOL     O4    4   0.000736  -0.141498   0.000097
+    1SOL     H5    5  -0.000131  -0.049240  -0.025397
+    1SOL     H6    6  -0.025715  -0.188498  -0.078983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085433   0.000909   0.103057
+    0SOL     H2    2   0.054004   0.037590   0.185695
+    0SOL     H3    3   0.131096  -0.079356   0.128253
+    1SOL     O4    4  -0.086399  -0.003351  -0.114126
+    1SOL     H5    5  -0.017698   0.007509  -0.048365
+    1SOL     H6    6  -0.149670   0.065703  -0.094363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083234   0.100475   0.038696
+    0SOL     H2    2   0.043672   0.123684   0.122711
+    0SOL     H3    3   0.084515   0.182460  -0.010691
+    1SOL     O4    4  -0.079555  -0.112983  -0.041400
+    1SOL     H5    5  -0.039220  -0.048923   0.017180
+    1SOL     H6    6  -0.146456  -0.063479  -0.088685
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009315   0.115941  -0.065793
+    0SOL     H2    2   0.046798   0.112910  -0.153817
+    0SOL     H3    3   0.003015   0.209293  -0.045594
+    1SOL     O4    4  -0.006630  -0.125042   0.067249
+    1SOL     H5    5  -0.032482  -0.039297   0.033459
+    1SOL     H6    6  -0.062177  -0.138309   0.144066
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127070  -0.061902   0.023114
+    0SOL     H2    2   0.040431  -0.033989  -0.006495
+    0SOL     H3    3   0.174580  -0.082209  -0.057464
+    1SOL     O4    4  -0.125305   0.055254  -0.013906
+    1SOL     H5    5  -0.100374   0.136025   0.031004
+    1SOL     H6    6  -0.142430   0.082263  -0.104125
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071551   0.074120   0.100960
+    0SOL     H2    2  -0.143299   0.118065   0.055316
+    0SOL     H3    3  -0.024192   0.027566   0.032024
+    1SOL     O4    4   0.067195  -0.071104  -0.092129
+    1SOL     H5    5   0.086967  -0.163804  -0.105474
+    1SOL     H6    6   0.148147  -0.025691  -0.115514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043418   0.003630  -0.127760
+    0SOL     H2    2  -0.092877   0.074412  -0.169065
+    0SOL     H3    3  -0.068451  -0.074805  -0.176582
+    1SOL     O4    4   0.045915   0.003115   0.136968
+    1SOL     H5    5   0.064404  -0.085488   0.168114
+    1SOL     H6    6   0.054608  -0.002594   0.041814
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128448  -0.048288  -0.003928
+    0SOL     H2    2   0.172770   0.026459  -0.044063
+    0SOL     H3    3   0.148038  -0.121817  -0.061997
+    1SOL     O4    4  -0.132135   0.055058   0.009613
+    1SOL     H5    5  -0.209017   0.002222   0.031058
+    1SOL     H6    6  -0.062054  -0.008793  -0.003573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067882  -0.004567  -0.120461
+    0SOL     H2    2   0.028968  -0.023416  -0.205859
+    0SOL     H3    3   0.082282   0.090062  -0.121010
+    1SOL     O4    4  -0.068185  -0.004471   0.130674
+    1SOL     H5    5  -0.097445   0.086205   0.121511
+    1SOL     H6    6  -0.009611  -0.018423   0.056265
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044920   0.021091   0.139777
+    0SOL     H2    2  -0.053194   0.024475   0.044476
+    0SOL     H3    3   0.045173  -0.007409   0.155048
+    1SOL     O4    4   0.039478  -0.015248  -0.128677
+    1SOL     H5    5   0.073046  -0.104482  -0.137207
+    1SOL     H6    6   0.012717   0.008904  -0.217349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043802  -0.074835   0.104011
+    0SOL     H2    2  -0.032815  -0.169674   0.110884
+    0SOL     H3    3  -0.085225  -0.049436   0.186482
+    1SOL     O4    4   0.043418   0.084365  -0.110568
+    1SOL     H5    5   0.013175   0.024706  -0.042095
+    1SOL     H6    6   0.114391   0.037046  -0.153996
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078236  -0.034493  -0.113581
+    0SOL     H2    2   0.148870  -0.087948  -0.077309
+    0SOL     H3    3   0.113206   0.054610  -0.113699
+    1SOL     O4    4  -0.084557   0.038712   0.111176
+    1SOL     H5    5  -0.068933  -0.024731   0.041225
+    1SOL     H6    6  -0.094873  -0.014561   0.190029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.100641   0.002043  -0.097035
+    0SOL     H2    2   0.178081  -0.001597  -0.040891
+    0SOL     H3    3   0.124228  -0.049965  -0.173854
+    1SOL     O4    4  -0.112298   0.004398   0.099392
+    1SOL     H5    5  -0.072243  -0.057846   0.160086
+    1SOL     H6    6  -0.050641   0.009780   0.026373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023932  -0.049090   0.139393
+    0SOL     H2    2   0.005695   0.029088   0.191526
+    0SOL     H3    3   0.036042  -0.016240   0.050306
+    1SOL     O4    4  -0.024004   0.047499  -0.133095
+    1SOL     H5    5   0.053829   0.001474  -0.164496
+    1SOL     H6    6  -0.097272   0.001308  -0.173845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033622   0.052363  -0.135984
+    0SOL     H2    2   0.011674   0.010815  -0.052592
+    0SOL     H3    3  -0.043057   0.037240  -0.191246
+    1SOL     O4    4  -0.023610  -0.049026   0.129112
+    1SOL     H5    5  -0.097001  -0.106141   0.151780
+    1SOL     H6    6  -0.019530   0.014369   0.200713
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086684  -0.093433  -0.056041
+    0SOL     H2    2  -0.063011  -0.182820  -0.080779
+    0SOL     H3    3  -0.175551  -0.081952  -0.089704
+    1SOL     O4    4   0.095794   0.100740   0.055521
+    1SOL     H5    5   0.024080   0.044804   0.025680
+    1SOL     H6    6   0.083349   0.107251   0.150205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.098521   0.094521  -0.059339
+    0SOL     H2    2   0.053070   0.015305  -0.030681
+    0SOL     H3    3   0.189333   0.066925  -0.071747
+    1SOL     O4    4  -0.097859  -0.084712   0.054921
+    1SOL     H5    5  -0.137837  -0.068019   0.140275
+    1SOL     H6    6  -0.119092  -0.176096   0.035935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053342  -0.142391  -0.002237
+    0SOL     H2    2  -0.017418  -0.160275   0.084664
+    0SOL     H3    3  -0.042870  -0.047921  -0.013558
+    1SOL     O4    4   0.045005   0.137841   0.002340
+    1SOL     H5    5   0.134356   0.114443   0.027466
+    1SOL     H6    6   0.052068   0.164584  -0.089297
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019604  -0.132235   0.050375
+    0SOL     H2    2   0.074907  -0.133958   0.065441
+    0SOL     H3    3  -0.056311  -0.183653   0.122286
+    1SOL     O4    4   0.021471   0.135559  -0.059649
+    1SOL     H5    5  -0.030522   0.210296  -0.030098
+    1SOL     H6    6  -0.018885   0.059916  -0.017082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077491  -0.006371   0.128939
+    0SOL     H2    2   0.037295   0.010902   0.043802
+    0SOL     H3    3   0.126371   0.073436   0.149036
+    1SOL     O4    4  -0.071169   0.001546  -0.124031
+    1SOL     H5    5  -0.127021  -0.076123  -0.127250
+    1SOL     H6    6  -0.130138   0.074342  -0.143674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020321   0.140566  -0.021482
+    0SOL     H2    2   0.027079   0.145150  -0.104516
+    0SOL     H3    3  -0.095814   0.198125  -0.033735
+    1SOL     O4    4   0.024775  -0.145296   0.033375
+    1SOL     H5    5   0.025619  -0.208688  -0.038341
+    1SOL     H6    6  -0.021979  -0.069641  -0.002018
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028386   0.051224   0.130877
+    0SOL     H2    2  -0.055182   0.011896   0.213929
+    0SOL     H3    3   0.030587   0.122339   0.155920
+    1SOL     O4    4   0.027421  -0.047900  -0.141343
+    1SOL     H5    5   0.042161  -0.141453  -0.155232
+    1SOL     H6    6   0.000479  -0.041189  -0.049739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012873  -0.139088   0.068965
+    0SOL     H2    2   0.052047  -0.072203   0.047190
+    0SOL     H3    3  -0.094855  -0.105722   0.032525
+    1SOL     O4    4   0.007714   0.129488  -0.067233
+    1SOL     H5    5   0.092579   0.131514  -0.111462
+    1SOL     H6    6   0.015891   0.193646   0.003331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066372   0.060520  -0.115064
+    0SOL     H2    2  -0.161401   0.049068  -0.114220
+    0SOL     H3    3  -0.053660   0.154966  -0.124046
+    1SOL     O4    4   0.073207  -0.060991   0.120276
+    1SOL     H5    5   0.075636  -0.156679   0.119997
+    1SOL     H6    6   0.029898  -0.037844   0.038113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045968   0.126765  -0.077133
+    0SOL     H2    2   0.051536   0.037677  -0.042570
+    0SOL     H3    3   0.031071   0.181525  -0.000050
+    1SOL     O4    4  -0.040235  -0.123509   0.067158
+    1SOL     H5    5  -0.039125  -0.179171   0.145023
+    1SOL     H6    6  -0.130800  -0.093223   0.060597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050374  -0.095532  -0.096548
+    0SOL     H2    2   0.005248  -0.105842  -0.180332
+    0SOL     H3    3   0.119907  -0.161287  -0.098490
+    1SOL     O4    4  -0.050760   0.106884   0.100711
+    1SOL     H5    5  -0.091951   0.058838   0.172524
+    1SOL     H6    6  -0.024902   0.039138   0.038228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006821  -0.003255  -0.155140
+    0SOL     H2    2   0.094860   0.019544  -0.185002
+    0SOL     H3    3   0.010761   0.005509  -0.059904
+    1SOL     O4    4  -0.013687   0.004059   0.144745
+    1SOL     H5    5   0.067817   0.020690   0.192103
+    1SOL     H6    6  -0.064630  -0.051743   0.203509
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032319  -0.100510  -0.120447
+    0SOL     H2    2   0.034682  -0.025729  -0.060743
+    0SOL     H3    3  -0.044408  -0.150724  -0.092991
+    1SOL     O4    4  -0.027277   0.093363   0.112487
+    1SOL     H5    5  -0.010775   0.112438   0.204824
+    1SOL     H6    6  -0.055045   0.177070   0.075280
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.005529  -0.021110   0.160269
+    0SOL     H2    2   0.057111   0.037725   0.105133
+    0SOL     H3    3  -0.041858  -0.076634   0.098350
+    1SOL     O4    4  -0.003604   0.018927  -0.158927
+    1SOL     H5    5   0.031300   0.094116  -0.111066
+    1SOL     H6    6  -0.075158  -0.013296  -0.104117
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088333   0.129202  -0.035351
+    0SOL     H2    2  -0.159472   0.108883   0.025383
+    0SOL     H3    3  -0.015586   0.074146  -0.006384
+    1SOL     O4    4   0.084957  -0.122531   0.035428
+    1SOL     H5    5   0.063085  -0.202846  -0.011832
+    1SOL     H6    6   0.163672  -0.089766  -0.008077
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114991   0.002173   0.112919
+    0SOL     H2    2  -0.042016   0.057147   0.084374
+    0SOL     H3    3  -0.175960   0.003007   0.039133
+    1SOL     O4    4   0.114892   0.001137  -0.107971
+    1SOL     H5    5   0.050035  -0.062444  -0.138193
+    1SOL     H6    6   0.170978  -0.048341  -0.048233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.069621  -0.136826  -0.010703
+    0SOL     H2    2  -0.159000  -0.127686  -0.043719
+    0SOL     H3    3  -0.061906  -0.229404   0.012364
+    1SOL     O4    4   0.074142   0.146966   0.007932
+    1SOL     H5    5   0.113994   0.128206   0.092915
+    1SOL     H6    6   0.029113   0.065923  -0.015873
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094991  -0.096495   0.096144
+    0SOL     H2    2  -0.139158  -0.021374   0.135747
+    0SOL     H3    3  -0.102199  -0.081609   0.001864
+    1SOL     O4    4   0.095319   0.088678  -0.098211
+    1SOL     H5    5   0.135103   0.175636  -0.102431
+    1SOL     H6    6   0.096738   0.066126  -0.005196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099800   0.128048  -0.034441
+    0SOL     H2    2   0.064107   0.041146  -0.052782
+    0SOL     H3    3   0.194624   0.117014  -0.041444
+    1SOL     O4    4  -0.096186  -0.122036   0.037498
+    1SOL     H5    5  -0.170421  -0.083867   0.084343
+    1SOL     H6    6  -0.135661  -0.168196  -0.036484
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047158  -0.078023   0.139149
+    0SOL     H2    2  -0.018293  -0.162537   0.104702
+    0SOL     H3    3   0.031023  -0.040753   0.179905
+    1SOL     O4    4   0.041723   0.078179  -0.146061
+    1SOL     H5    5   0.029651   0.030524  -0.063929
+    1SOL     H6    6   0.042061   0.170412  -0.120464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050712  -0.100475  -0.122126
+    0SOL     H2    2   0.128443  -0.045899  -0.110221
+    0SOL     H3    3   0.077937  -0.187617  -0.093362
+    1SOL     O4    4  -0.053342   0.098919   0.124248
+    1SOL     H5    5  -0.081334   0.190455   0.124080
+    1SOL     H6    6  -0.089656   0.062570   0.043487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036225   0.058081   0.147753
+    0SOL     H2    2  -0.033914   0.113499   0.225765
+    0SOL     H3    3  -0.019773  -0.030306   0.180607
+    1SOL     O4    4   0.034458  -0.061679  -0.158739
+    1SOL     H5    5  -0.013404   0.021152  -0.161994
+    1SOL     H6    6   0.093264  -0.052487  -0.083774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030013   0.166111  -0.042978
+    0SOL     H2    2   0.021859   0.202854   0.028587
+    0SOL     H3    3  -0.119914   0.192586  -0.023508
+    1SOL     O4    4   0.036770  -0.170073   0.041537
+    1SOL     H5    5   0.038834  -0.188324  -0.052404
+    1SOL     H6    6  -0.054530  -0.147740   0.059645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111567   0.132674   0.066568
+    0SOL     H2    2   0.063994   0.050508   0.054406
+    0SOL     H3    3   0.115478   0.144317   0.161496
+    1SOL     O4    4  -0.108915  -0.122828  -0.074800
+    1SOL     H5    5  -0.074129  -0.207962  -0.101340
+    1SOL     H6    6  -0.146361  -0.138187   0.011942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096426   0.010094  -0.160634
+    0SOL     H2    2  -0.047176   0.013211  -0.078615
+    0SOL     H3    3  -0.145329  -0.072068  -0.156155
+    1SOL     O4    4   0.090536  -0.007469   0.154808
+    1SOL     H5    5   0.139907  -0.002151   0.236640
+    1SOL     H6    6   0.151467   0.023818   0.087943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.151010  -0.110197   0.004440
+    0SOL     H2    2   0.158872  -0.184101   0.064762
+    0SOL     H3    3   0.085084  -0.053483   0.044435
+    1SOL     O4    4  -0.148459   0.117576  -0.013586
+    1SOL     H5    5  -0.102660   0.099554   0.068512
+    1SOL     H6    6  -0.179370   0.031935  -0.043122
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.182406   0.001909  -0.045981
+    0SOL     H2    2  -0.191758  -0.074438   0.010994
+    0SOL     H3    3  -0.126125  -0.028146  -0.117335
+    1SOL     O4    4   0.173487   0.004165   0.046326
+    1SOL     H5    5   0.234387  -0.064662   0.019560
+    1SOL     H6    6   0.229352   0.072744   0.082911
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119489   0.137140  -0.045061
+    0SOL     H2    2   0.147816   0.062111  -0.097315
+    0SOL     H3    3   0.194853   0.196153  -0.044979
+    1SOL     O4    4  -0.122708  -0.141917   0.044454
+    1SOL     H5    5  -0.193768  -0.081655   0.022517
+    1SOL     H6    6  -0.088324  -0.109227   0.127589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.129233   0.142757   0.009706
+    0SOL     H2    2  -0.192761   0.078946  -0.022770
+    0SOL     H3    3  -0.154240   0.157209   0.100964
+    1SOL     O4    4   0.129368  -0.144345  -0.013367
+    1SOL     H5    5   0.130853  -0.057847   0.027598
+    1SOL     H6    6   0.215603  -0.153155  -0.053966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031382  -0.103921  -0.160713
+    0SOL     H2    2  -0.004401  -0.140007  -0.241829
+    0SOL     H3    3   0.005272  -0.011838  -0.161841
+    1SOL     O4    4  -0.023085   0.103729   0.161283
+    1SOL     H5    5  -0.054136   0.132058   0.247281
+    1SOL     H6    6  -0.072399   0.023726   0.143120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045979   0.126284   0.149467
+    0SOL     H2    2  -0.035464   0.221037   0.158049
+    0SOL     H3    3  -0.018957   0.107176   0.059651
+    1SOL     O4    4   0.041822  -0.126915  -0.139591
+    1SOL     H5    5   0.019348  -0.101706  -0.229155
+    1SOL     H6    6   0.098557  -0.203345  -0.149691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015714   0.028694   0.204605
+    0SOL     H2    2   0.023248   0.090263   0.142528
+    0SOL     H3    3  -0.009453   0.072828   0.289312
+    1SOL     O4    4   0.015324  -0.040778  -0.208707
+    1SOL     H5    5   0.065344   0.037404  -0.185301
+    1SOL     H6    6  -0.075239  -0.018745  -0.186908
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.208971   0.002284  -0.029083
+    0SOL     H2    2  -0.271973  -0.028165   0.036230
+    0SOL     H3    3  -0.138871  -0.062862  -0.027006
+    1SOL     O4    4   0.202589   0.000920   0.026564
+    1SOL     H5    5   0.265043  -0.040894  -0.032710
+    1SOL     H6    6   0.249520   0.076795   0.061244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069676  -0.198721  -0.050647
+    0SOL     H2    2  -0.001413  -0.243522  -0.096490
+    0SOL     H3    3   0.054014  -0.105739  -0.067119
+    1SOL     O4    4  -0.070644   0.193230   0.053304
+    1SOL     H5    5   0.014616   0.167505   0.018213
+    1SOL     H6    6  -0.052257   0.270399   0.106869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013703  -0.162760   0.160904
+    0SOL     H2    2   0.001075  -0.224941   0.089235
+    0SOL     H3    3  -0.048666  -0.092413   0.142912
+    1SOL     O4    4  -0.011701   0.165771  -0.149933
+    1SOL     H5    5   0.077970   0.157990  -0.182504
+    1SOL     H6    6  -0.064800   0.119049  -0.214430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002559   0.171475   0.145998
+    0SOL     H2    2   0.043233   0.239555   0.199599
+    0SOL     H3    3   0.036988   0.186483   0.057954
+    1SOL     O4    4  -0.005940  -0.170487  -0.147371
+    1SOL     H5    5  -0.085995  -0.201487  -0.105033
+    1SOL     H6    6   0.058266  -0.239509  -0.130762
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.146992   0.093331  -0.145854
+    0SOL     H2    2   0.075807   0.044853  -0.187626
+    0SOL     H3    3   0.226608   0.058036  -0.185575
+    1SOL     O4    4  -0.141654  -0.093671   0.151039
+    1SOL     H5    5  -0.223457  -0.095303   0.200718
+    1SOL     H6    6  -0.152833  -0.021855   0.088751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059640  -0.225847  -0.004913
+    0SOL     H2    2  -0.041417  -0.144451   0.042043
+    0SOL     H3    3   0.020614  -0.243775  -0.053904
+    1SOL     O4    4   0.055951   0.226751   0.007208
+    1SOL     H5    5   0.042693   0.138659   0.042229
+    1SOL     H6    6   0.026901   0.221013  -0.083816
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042500   0.196835  -0.108412
+    0SOL     H2    2  -0.138219   0.196466  -0.108298
+    0SOL     H3    3  -0.018796   0.283553  -0.075543
+    1SOL     O4    4   0.041745  -0.199207   0.111945
+    1SOL     H5    5   0.097037  -0.277331   0.113274
+    1SOL     H6    6   0.056778  -0.160631   0.025641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065970   0.165359  -0.161168
+    0SOL     H2    2  -0.011749   0.201723  -0.231169
+    0SOL     H3    3  -0.083421   0.239589  -0.103308
+    1SOL     O4    4   0.059362  -0.170665   0.167746
+    1SOL     H5    5   0.057451  -0.124486   0.083924
+    1SOL     H6    6   0.131896  -0.232564   0.159395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003222  -0.239886   0.068452
+    0SOL     H2    2  -0.083748  -0.277669   0.055382
+    0SOL     H3    3   0.001344  -0.157765   0.019310
+    1SOL     O4    4   0.000214   0.243767  -0.065236
+    1SOL     H5    5  -0.052847   0.169043  -0.037611
+    1SOL     H6    6   0.084441   0.205574  -0.089922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101043   0.227918   0.027077
+    0SOL     H2    2  -0.107892   0.211942   0.121206
+    0SOL     H3    3  -0.111639   0.141529  -0.012760
+    1SOL     O4    4   0.104350  -0.218060  -0.025300
+    1SOL     H5    5   0.077170  -0.309691  -0.020082
+    1SOL     H6    6   0.091973  -0.194556  -0.117260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086977  -0.220179   0.078789
+    0SOL     H2    2  -0.159209  -0.258881   0.029322
+    0SOL     H3    3  -0.039061  -0.167987   0.014427
+    1SOL     O4    4   0.092399   0.213754  -0.072178
+    1SOL     H5    5   0.015869   0.227903  -0.127904
+    1SOL     H6    6   0.100261   0.294431  -0.021269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094876   0.190318  -0.119695
+    0SOL     H2    2  -0.133208   0.239917  -0.192034
+    0SOL     H3    3  -0.024641   0.246374  -0.086723
+    1SOL     O4    4   0.095089  -0.191129   0.117056
+    1SOL     H5    5   0.149840  -0.235440   0.181873
+    1SOL     H6    6   0.007303  -0.226375   0.131673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034622  -0.069981  -0.248456
+    0SOL     H2    2   0.110131  -0.077140  -0.306847
+    0SOL     H3    3  -0.029595  -0.131029  -0.284673
+    1SOL     O4    4  -0.039822   0.073271   0.259916
+    1SOL     H5    5  -0.052359   0.038176   0.171748
+    1SOL     H6    6   0.043710   0.119809   0.255568
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013261  -0.126935  -0.238962
+    0SOL     H2    2  -0.037064  -0.212821  -0.273879
+    0SOL     H3    3   0.052358  -0.145664  -0.171837
+    1SOL     O4    4   0.008924   0.132118   0.242521
+    1SOL     H5    5   0.084910   0.186422   0.221555
+    1SOL     H6    6  -0.027523   0.107943   0.157377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001267  -0.204489  -0.192797
+    0SOL     H2    2  -0.088868  -0.231420  -0.165172
+    0SOL     H3    3   0.055243  -0.277705  -0.168131
+    1SOL     O4    4   0.004009   0.211254   0.196247
+    1SOL     H5    5  -0.011413   0.129367   0.149141
+    1SOL     H6    6   0.003540   0.278551   0.128180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025914   0.300344  -0.011158
+    0SOL     H2    2  -0.002335   0.392819  -0.018552
+    0SOL     H3    3  -0.116972   0.296383  -0.040399
+    1SOL     O4    4   0.027486  -0.310810   0.017168
+    1SOL     H5    5  -0.014102  -0.224903   0.009910
+    1SOL     H6    6   0.102493  -0.306248  -0.042122
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.098338   0.240452  -0.167876
+    0SOL     H2    2   0.155224   0.210284  -0.238701
+    0SOL     H3    3   0.022731   0.278659  -0.212443
+    1SOL     O4    4  -0.090949  -0.244396   0.174796
+    1SOL     H5    5  -0.107778  -0.152903   0.152254
+    1SOL     H6    6  -0.176785  -0.279421   0.198624
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036242  -0.238114   0.211589
+    0SOL     H2    2  -0.092816  -0.271726   0.281101
+    0SOL     H3    3   0.035992  -0.195650   0.257864
+    1SOL     O4    4   0.039010   0.232621  -0.220753
+    1SOL     H5    5   0.050253   0.326496  -0.235698
+    1SOL     H6    6  -0.036686   0.226493  -0.162487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146955   0.284751  -0.098873
+    0SOL     H2    2  -0.235002   0.256756  -0.073849
+    0SOL     H3    3  -0.144402   0.273808  -0.193931
+    1SOL     O4    4   0.147159  -0.279940   0.098900
+    1SOL     H5    5   0.190156  -0.236712   0.172690
+    1SOL     H6    6   0.180549  -0.369626   0.100854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001596   0.302515   0.202169
+    0SOL     H2    2   0.011869   0.277226   0.293500
+    0SOL     H3    3   0.058741   0.247017   0.152754
+    1SOL     O4    4  -0.001260  -0.294677  -0.210176
+    1SOL     H5    5  -0.063665  -0.275710  -0.140118
+    1SOL     H6    6   0.042508  -0.375080  -0.182210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007179  -0.349590  -0.147969
+    0SOL     H2    2   0.013756  -0.267920  -0.102647
+    0SOL     H3    3  -0.000094  -0.327941  -0.240939
+    1SOL     O4    4   0.007442   0.343297   0.156757
+    1SOL     H5    5  -0.074497   0.317767   0.114371
+    1SOL     H6    6   0.059054   0.383567   0.086922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094516  -0.380566  -0.053248
+    0SOL     H2    2   0.064859  -0.465524  -0.020615
+    0SOL     H3    3   0.018976  -0.322855  -0.042045
+    1SOL     O4    4  -0.083890   0.384818   0.054376
+    1SOL     H5    5  -0.166825   0.424556   0.027822
+    1SOL     H6    6  -0.085597   0.297407   0.015405
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000391  -0.393274  -0.179626
+    0SOL     H2    2   0.038254  -0.310973  -0.148717
+    0SOL     H3    3   0.021198  -0.395681  -0.273026
+    1SOL     O4    4  -0.003965   0.383294   0.188131
+    1SOL     H5    5  -0.040657   0.471572   0.192932
+    1SOL     H6    6   0.033021   0.377437   0.100039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029735   0.107240   0.438981
+    0SOL     H2    2  -0.110149   0.112491   0.387325
+    0SOL     H3    3   0.016820   0.031604   0.403288
+    1SOL     O4    4   0.030375  -0.097215  -0.432599
+    1SOL     H5    5   0.114664  -0.136703  -0.454924
+    1SOL     H6    6  -0.032261  -0.169346  -0.438603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.114985   0.297577   0.335259
+    0SOL     H2    2   0.054757   0.267842   0.267062
+    0SOL     H3    3   0.163151   0.369791   0.294917
+    1SOL     O4    4  -0.113878  -0.297679  -0.322644
+    1SOL     H5    5  -0.102535  -0.243097  -0.400454
+    1SOL     H6    6  -0.131315  -0.385263  -0.357102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061199  -0.452446  -0.117492
+    0SOL     H2    2   0.119197  -0.468502  -0.191929
+    0SOL     H3    3   0.056869  -0.357074  -0.110577
+    1SOL     O4    4  -0.060972   0.441891   0.120627
+    1SOL     H5    5  -0.031751   0.519561   0.168333
+    1SOL     H6    6  -0.149296   0.463785   0.090930
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007033   0.410474   0.370969
+    0SOL     H2    2  -0.009107   0.319426   0.346228
+    0SOL     H3    3  -0.070950   0.436157   0.420175
+    1SOL     O4    4  -0.001863  -0.402560  -0.367099
+    1SOL     H5    5   0.069390  -0.452072  -0.407521
+    1SOL     H6    6  -0.079584  -0.426989  -0.417350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/300K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112875   0.630746   0.170290
+    0SOL     H2    2   0.111435   0.722309   0.198155
+    0SOL     H3    3   0.142244   0.633830   0.079239
+    1SOL     O4    4  -0.116151  -0.642039  -0.166482
+    1SOL     H5    5  -0.171633  -0.564610  -0.175902
+    1SOL     H6    6  -0.027451  -0.607102  -0.157878
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117774  -0.001136   0.038541
+    0SOL     H2    2   0.190896   0.060591   0.040817
+    0SOL     H3    3   0.099809  -0.020463   0.130552
+    1SOL     O4    4  -0.122979  -0.001601  -0.050979
+    1SOL     H5    5  -0.181989  -0.001929   0.024387
+    1SOL     H6    6  -0.035244   0.000393  -0.012756
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097451  -0.011747  -0.093333
+    0SOL     H2    2   0.086991  -0.105898  -0.107066
+    0SOL     H3    3   0.043069   0.007554  -0.016963
+    1SOL     O4    4  -0.088475   0.020756   0.089317
+    1SOL     H5    5  -0.084800  -0.069839   0.119999
+    1SOL     H6    6  -0.179701   0.033615   0.063342
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055231   0.096782  -0.058073
+    0SOL     H2    2   0.088341   0.171475  -0.008202
+    0SOL     H3    3   0.016896   0.135550  -0.136748
+    1SOL     O4    4  -0.051818  -0.108816   0.058701
+    1SOL     H5    5  -0.119144  -0.090889   0.124337
+    1SOL     H6    6  -0.038658  -0.025035   0.014318
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072086  -0.090147   0.073266
+    0SOL     H2    2  -0.020895  -0.020684   0.031835
+    0SOL     H3    3  -0.007432  -0.156490   0.097367
+    1SOL     O4    4   0.069092   0.085696  -0.068795
+    1SOL     H5    5   0.050160   0.088451  -0.162584
+    1SOL     H6    6   0.023270   0.161647  -0.032821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062311  -0.031818  -0.106437
+    0SOL     H2    2   0.091909  -0.122253  -0.116819
+    0SOL     H3    3   0.132339   0.020915  -0.144876
+    1SOL     O4    4  -0.066579   0.037693   0.115077
+    1SOL     H5    5  -0.151398   0.006121   0.083914
+    1SOL     H6    6  -0.004202   0.008488   0.048605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084927   0.013960   0.109501
+    0SOL     H2    2  -0.043756   0.025140   0.023814
+    0SOL     H3    3  -0.011620   0.003776   0.170203
+    1SOL     O4    4   0.076178  -0.008645  -0.104954
+    1SOL     H5    5   0.134587  -0.015559  -0.180472
+    1SOL     H6    6   0.053294  -0.099183  -0.083945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124260  -0.060198  -0.010399
+    0SOL     H2    2   0.118850  -0.107473   0.072655
+    0SOL     H3    3   0.041269  -0.012899  -0.016541
+    1SOL     O4    4  -0.115294   0.055522   0.006704
+    1SOL     H5    5  -0.112081   0.126878  -0.057016
+    1SOL     H6    6  -0.194342   0.072611   0.057906
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040418   0.123293  -0.011350
+    0SOL     H2    2  -0.086736   0.152386  -0.089903
+    0SOL     H3    3  -0.105464   0.129610   0.058588
+    1SOL     O4    4   0.051229  -0.126710   0.017082
+    1SOL     H5    5   0.025246  -0.193054  -0.046838
+    1SOL     H6    6   0.011279  -0.045762  -0.014757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071107   0.117281  -0.023945
+    0SOL     H2    2  -0.025825   0.034281  -0.009018
+    0SOL     H3    3  -0.064729   0.163471   0.059651
+    1SOL     O4    4   0.066529  -0.110609   0.022486
+    1SOL     H5    5   0.016700  -0.189183   0.000003
+    1SOL     H6    6   0.144658  -0.115150  -0.032628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039054  -0.059748  -0.121929
+    0SOL     H2    2  -0.015065   0.014533  -0.066529
+    0SOL     H3    3   0.021901  -0.129127  -0.096763
+    1SOL     O4    4   0.032399   0.057471   0.110410
+    1SOL     H5    5   0.011854   0.139356   0.155522
+    1SOL     H6    6   0.079197   0.005259   0.175572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038105   0.113668  -0.055941
+    0SOL     H2    2  -0.004634   0.101040  -0.140654
+    0SOL     H3    3   0.017392   0.203957  -0.031833
+    1SOL     O4    4  -0.041099  -0.118211   0.061901
+    1SOL     H5    5   0.026438  -0.184381   0.076821
+    1SOL     H6    6   0.002206  -0.051226   0.008986
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044305  -0.094003  -0.098951
+    0SOL     H2    2   0.054477  -0.020273  -0.038762
+    0SOL     H3    3  -0.049822  -0.111367  -0.099938
+    1SOL     O4    4  -0.034183   0.085375   0.095521
+    1SOL     H5    5  -0.022874   0.179523   0.082461
+    1SOL     H6    6  -0.128882   0.073327   0.102554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059355  -0.108216   0.063042
+    0SOL     H2    2   0.038148  -0.200036   0.046257
+    0SOL     H3    3  -0.011286  -0.059194   0.020983
+    1SOL     O4    4  -0.047946   0.109406  -0.057307
+    1SOL     H5    5  -0.082530   0.074922  -0.139630
+    1SOL     H6    6  -0.119829   0.161022  -0.020826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022174  -0.064585   0.123781
+    0SOL     H2    2   0.021317  -0.011559   0.044095
+    0SOL     H3    3  -0.031255  -0.015245   0.186016
+    1SOL     O4    4  -0.013619   0.059920  -0.118638
+    1SOL     H5    5  -0.027420  -0.004236  -0.188322
+    1SOL     H6    6  -0.094480   0.111108  -0.116784
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.130151   0.043732   0.033014
+    0SOL     H2    2   0.197196  -0.015850  -0.000409
+    0SOL     H3    3   0.048032  -0.004372   0.022771
+    1SOL     O4    4  -0.125157  -0.038757  -0.024924
+    1SOL     H5    5  -0.152195  -0.095352  -0.097232
+    1SOL     H6    6  -0.164628   0.046140  -0.044844
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018907   0.119143  -0.075069
+    0SOL     H2    2  -0.018243   0.108801  -0.162678
+    0SOL     H3    3   0.012712   0.032009  -0.035936
+    1SOL     O4    4  -0.017214  -0.107600   0.073541
+    1SOL     H5    5   0.060826  -0.162450   0.081514
+    1SOL     H6    6  -0.076960  -0.140999   0.140453
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018502  -0.076778  -0.114050
+    0SOL     H2    2  -0.067416  -0.115504  -0.097293
+    0SOL     H3    3   0.079261  -0.130062  -0.062752
+    1SOL     O4    4  -0.017192   0.080002   0.116198
+    1SOL     H5    5  -0.007616   0.028855   0.035857
+    1SOL     H6    6  -0.026026   0.170454   0.086154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042704   0.111364  -0.064393
+    0SOL     H2    2   0.020040   0.183204  -0.072426
+    0SOL     H3    3  -0.111772   0.146026  -0.007908
+    1SOL     O4    4   0.046360  -0.113064   0.065710
+    1SOL     H5    5   0.048863  -0.208741   0.067123
+    1SOL     H6    6  -0.016033  -0.091712  -0.003669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021390  -0.129832  -0.024431
+    0SOL     H2    2  -0.012353  -0.195879  -0.084942
+    0SOL     H3    3   0.116563  -0.136999  -0.031719
+    1SOL     O4    4  -0.022142   0.135666   0.034264
+    1SOL     H5    5  -0.006870   0.055768  -0.016188
+    1SOL     H6    6  -0.083887   0.186079  -0.018731
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130057   0.016466   0.062548
+    0SOL     H2    2  -0.143651  -0.050251  -0.004730
+    0SOL     H3    3  -0.038025   0.041200   0.053568
+    1SOL     O4    4   0.120240  -0.017545  -0.061490
+    1SOL     H5    5   0.188887   0.031028  -0.107213
+    1SOL     H6    6   0.144085  -0.011463   0.031013
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088897  -0.055983  -0.100516
+    0SOL     H2    2   0.036006  -0.084748  -0.174930
+    0SOL     H3    3   0.025047  -0.035159  -0.032312
+    1SOL     O4    4  -0.082412   0.059452   0.094479
+    1SOL     H5    5  -0.150329   0.008383   0.138542
+    1SOL     H6    6  -0.008411   0.058396   0.155184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026030  -0.009500  -0.138095
+    0SOL     H2    2   0.071705  -0.092413  -0.123897
+    0SOL     H3    3   0.095961   0.055389  -0.145928
+    1SOL     O4    4  -0.030896   0.016566   0.140908
+    1SOL     H5    5  -0.091720  -0.050396   0.172194
+    1SOL     H6    6   0.000015  -0.016595   0.056604
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117440  -0.074166  -0.013531
+    0SOL     H2    2   0.079110  -0.161727  -0.018648
+    0SOL     H3    3   0.154243  -0.058955  -0.100575
+    1SOL     O4    4  -0.123560   0.077688   0.019847
+    1SOL     H5    5  -0.054614   0.011290   0.019524
+    1SOL     H6    6  -0.078445   0.159238  -0.001984
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014837   0.069097   0.119639
+    0SOL     H2    2  -0.107225   0.062955   0.143908
+    0SOL     H3    3   0.030746   0.016220   0.185126
+    1SOL     O4    4   0.015058  -0.066333  -0.131249
+    1SOL     H5    5  -0.010830  -0.003111  -0.064204
+    1SOL     H6    6   0.087524  -0.114847  -0.091783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063021   0.041986   0.119247
+    0SOL     H2    2   0.000686  -0.009668   0.168598
+    0SOL     H3    3  -0.034361   0.132611   0.130556
+    1SOL     O4    4   0.059280  -0.040117  -0.128166
+    1SOL     H5    5   0.085646  -0.131661  -0.118845
+    1SOL     H6    6   0.013369  -0.019945  -0.046633
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009837  -0.040538  -0.132495
+    0SOL     H2    2  -0.050175  -0.114797  -0.177447
+    0SOL     H3    3  -0.070961   0.031852  -0.146130
+    1SOL     O4    4   0.011433   0.038383   0.140378
+    1SOL     H5    5   0.080874   0.102763   0.154357
+    1SOL     H6    6   0.020304   0.013085   0.048489
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004558  -0.047586  -0.137932
+    0SOL     H2    2   0.017346  -0.021413  -0.048503
+    0SOL     H3    3   0.080045  -0.064462  -0.179403
+    1SOL     O4    4  -0.000603   0.046422   0.128473
+    1SOL     H5    5  -0.012192  -0.021031   0.195392
+    1SOL     H6    6  -0.009153   0.129079   0.175983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019699   0.144605   0.028851
+    0SOL     H2    2  -0.112255   0.150330   0.005123
+    0SOL     H3    3  -0.000543   0.050823   0.028315
+    1SOL     O4    4   0.022572  -0.137090  -0.021303
+    1SOL     H5    5  -0.036826  -0.171409  -0.088059
+    1SOL     H6    6   0.109454  -0.143327  -0.060990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083031   0.123677  -0.009538
+    0SOL     H2    2  -0.148915   0.095361  -0.072939
+    0SOL     H3    3  -0.020862   0.051009  -0.005454
+    1SOL     O4    4   0.083909  -0.110743   0.014450
+    1SOL     H5    5   0.128427  -0.165939  -0.049845
+    1SOL     H6    6   0.023911  -0.170107   0.059599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099886   0.096401  -0.055395
+    0SOL     H2    2   0.156381   0.122506   0.017332
+    0SOL     H3    3   0.028198   0.048314  -0.014033
+    1SOL     O4    4  -0.097933  -0.091908   0.054847
+    1SOL     H5    5  -0.066971  -0.178255   0.027500
+    1SOL     H6    6  -0.145396  -0.058252  -0.021158
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073760   0.112064  -0.065480
+    0SOL     H2    2  -0.065681   0.188456  -0.008371
+    0SOL     H3    3  -0.032249   0.041030  -0.016558
+    1SOL     O4    4   0.071894  -0.105413   0.059201
+    1SOL     H5    5   0.006735  -0.151638   0.111924
+    1SOL     H6    6   0.115843  -0.174389   0.009471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118166  -0.062546   0.052973
+    0SOL     H2    2  -0.085646  -0.142341   0.094657
+    0SOL     H3    3  -0.133333  -0.002020   0.125561
+    1SOL     O4    4   0.116786   0.071654  -0.058662
+    1SOL     H5    5   0.048139   0.008254  -0.037917
+    1SOL     H6    6   0.191151   0.018236  -0.086568
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123467  -0.074007   0.000281
+    0SOL     H2    2   0.080539  -0.159541   0.002149
+    0SOL     H3    3   0.170523  -0.072588  -0.083062
+    1SOL     O4    4  -0.123407   0.083098  -0.000150
+    1SOL     H5    5  -0.060437   0.012040   0.012011
+    1SOL     H6    6  -0.189077   0.068900   0.068028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070040  -0.016971   0.128369
+    0SOL     H2    2   0.023773  -0.100766   0.128519
+    0SOL     H3    3   0.157082  -0.037678   0.094351
+    1SOL     O4    4  -0.073413   0.016256  -0.129022
+    1SOL     H5    5  -0.041686   0.041050  -0.042183
+    1SOL     H6    6  -0.073235   0.097971  -0.178871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037662   0.075852   0.117006
+    0SOL     H2    2  -0.014311   0.066510   0.196843
+    0SOL     H3    3   0.013410   0.161780   0.082500
+    1SOL     O4    4  -0.039585  -0.080295  -0.119695
+    1SOL     H5    5   0.024105  -0.024323  -0.075276
+    1SOL     H6    6   0.013507  -0.145836  -0.164949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030898   0.133178  -0.040948
+    0SOL     H2    2   0.006679   0.194593  -0.104023
+    0SOL     H3    3  -0.038000   0.183455   0.040195
+    1SOL     O4    4   0.033252  -0.143898   0.036154
+    1SOL     H5    5  -0.004848  -0.061626   0.005461
+    1SOL     H6    6   0.003078  -0.152039   0.126628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113179   0.012476  -0.093373
+    0SOL     H2    2  -0.045320   0.029086  -0.158807
+    0SOL     H3    3  -0.178125   0.081217  -0.108169
+    1SOL     O4    4   0.118741  -0.013820   0.099872
+    1SOL     H5    5   0.047393   0.010423   0.040845
+    1SOL     H6    6   0.097457  -0.102815   0.127964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015082   0.132717   0.081890
+    0SOL     H2    2   0.014762   0.167959  -0.001953
+    0SOL     H3    3  -0.021998   0.038388   0.067177
+    1SOL     O4    4   0.013913  -0.123001  -0.078350
+    1SOL     H5    5   0.083524  -0.176835  -0.040686
+    1SOL     H6    6  -0.062969  -0.180023  -0.078749
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046479  -0.015510   0.147773
+    0SOL     H2    2  -0.086616  -0.102400   0.146583
+    0SOL     H3    3  -0.018143  -0.000926   0.057514
+    1SOL     O4    4   0.043161   0.020614  -0.135795
+    1SOL     H5    5   0.040587  -0.047608  -0.202888
+    1SOL     H6    6   0.110820   0.081288  -0.165847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019055   0.143310   0.018034
+    0SOL     H2    2   0.031158   0.209686   0.065311
+    0SOL     H3    3  -0.110194   0.161109   0.041254
+    1SOL     O4    4   0.022267  -0.152128  -0.016319
+    1SOL     H5    5   0.034118  -0.057193  -0.019334
+    1SOL     H6    6   0.001129  -0.176548  -0.106426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058255   0.132895   0.036328
+    0SOL     H2    2  -0.109844   0.081844  -0.026080
+    0SOL     H3    3  -0.120622   0.195080   0.073822
+    1SOL     O4    4   0.069143  -0.138583  -0.036492
+    1SOL     H5    5   0.072809  -0.047458  -0.065563
+    1SOL     H6    6  -0.006708  -0.142148   0.021785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022415  -0.088257   0.122385
+    0SOL     H2    2  -0.073281  -0.086291   0.123290
+    0SOL     H3    3   0.048022  -0.048556   0.205635
+    1SOL     O4    4  -0.017914   0.083700  -0.133350
+    1SOL     H5    5   0.039919   0.055075  -0.062651
+    1SOL     H6    6  -0.076041   0.147756  -0.092357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127996   0.078466   0.050224
+    0SOL     H2    2   0.067342   0.146681   0.021414
+    0SOL     H3    3   0.097756   0.054951   0.137945
+    1SOL     O4    4  -0.127373  -0.078614  -0.050319
+    1SOL     H5    5  -0.034823  -0.088545  -0.027999
+    1SOL     H6    6  -0.134433  -0.113132  -0.139319
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139376  -0.038198  -0.076445
+    0SOL     H2    2  -0.111716   0.023812  -0.143913
+    0SOL     H3    3  -0.070546  -0.033736  -0.010077
+    1SOL     O4    4   0.132537   0.038637   0.071448
+    1SOL     H5    5   0.087451   0.040687   0.155860
+    1SOL     H6    6   0.184507  -0.041708   0.073945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031057  -0.158359   0.031362
+    0SOL     H2    2  -0.068830  -0.090267  -0.024308
+    0SOL     H3    3  -0.048359  -0.128655   0.120697
+    1SOL     O4    4   0.041217   0.152928  -0.034586
+    1SOL     H5    5  -0.003021   0.166021   0.049282
+    1SOL     H6    6  -0.029041   0.130172  -0.095483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006728   0.160552  -0.007621
+    0SOL     H2    2   0.055771   0.172276  -0.088982
+    0SOL     H3    3  -0.083620   0.146387  -0.035888
+    1SOL     O4    4  -0.002110  -0.157614   0.020236
+    1SOL     H5    5  -0.048875  -0.114763  -0.051451
+    1SOL     H6    6   0.006002  -0.248853  -0.007549
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099506  -0.097625   0.078960
+    0SOL     H2    2   0.097893  -0.101133   0.174602
+    0SOL     H3    3   0.019652  -0.142959   0.051933
+    1SOL     O4    4  -0.095173   0.106646  -0.084813
+    1SOL     H5    5  -0.155099   0.033420  -0.099275
+    1SOL     H6    6  -0.019379   0.067427  -0.041460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060849  -0.038288   0.151993
+    0SOL     H2    2  -0.105143  -0.122942   0.157824
+    0SOL     H3    3  -0.032251  -0.032395   0.060835
+    1SOL     O4    4   0.062800   0.044930  -0.141044
+    1SOL     H5    5   0.111811   0.064534  -0.220894
+    1SOL     H6    6  -0.004391  -0.017336  -0.168803
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078658   0.096235   0.114903
+    0SOL     H2    2  -0.028874   0.028901   0.068535
+    0SOL     H3    3  -0.167946   0.061918   0.118413
+    1SOL     O4    4   0.077636  -0.093865  -0.107416
+    1SOL     H5    5   0.148143  -0.029474  -0.100711
+    1SOL     H6    6   0.066396  -0.107435  -0.201500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082979   0.132953   0.046684
+    0SOL     H2    2  -0.172566   0.134464   0.080361
+    0SOL     H3    3  -0.092469   0.147604  -0.047431
+    1SOL     O4    4   0.083119  -0.136239  -0.046358
+    1SOL     H5    5   0.091524  -0.083950   0.033377
+    1SOL     H6    6   0.173306  -0.152629  -0.073926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069656  -0.116878  -0.091913
+    0SOL     H2    2   0.031463  -0.186292  -0.145628
+    0SOL     H3    3   0.119596  -0.163268  -0.024709
+    1SOL     O4    4  -0.069117   0.126974   0.085577
+    1SOL     H5    5  -0.061938   0.033228   0.103535
+    1SOL     H6    6  -0.101347   0.164691   0.167437
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.160868  -0.047272  -0.035415
+    0SOL     H2    2   0.199437  -0.062615  -0.121667
+    0SOL     H3    3   0.083785  -0.103976  -0.033164
+    1SOL     O4    4  -0.157380   0.046232   0.036098
+    1SOL     H5    5  -0.243122   0.082384   0.058539
+    1SOL     H6    6  -0.095155   0.099578   0.085540
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061011   0.116282   0.113690
+    0SOL     H2    2   0.026002   0.070968   0.036986
+    0SOL     H3    3   0.050549   0.209259   0.093486
+    1SOL     O4    4  -0.057551  -0.124553  -0.105362
+    1SOL     H5    5  -0.111782  -0.051846  -0.074786
+    1SOL     H6    6  -0.025213  -0.096082  -0.190838
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007376   0.128193   0.105978
+    0SOL     H2    2  -0.009997   0.144315   0.200294
+    0SOL     H3    3  -0.077736   0.182463   0.070390
+    1SOL     O4    4   0.012115  -0.135617  -0.104266
+    1SOL     H5    5   0.083001  -0.125137  -0.167730
+    1SOL     H6    6  -0.060937  -0.086234  -0.141509
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.114511  -0.111857   0.076525
+    0SOL     H2    2   0.081130  -0.132784  -0.010711
+    0SOL     H3    3   0.036124  -0.103177   0.130770
+    1SOL     O4    4  -0.109348   0.114534  -0.068542
+    1SOL     H5    5  -0.168234   0.087482  -0.138990
+    1SOL     H6    6  -0.021690   0.106634  -0.106172
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039445  -0.093917  -0.137231
+    0SOL     H2    2   0.005344  -0.144809  -0.063682
+    0SOL     H3    3   0.089372  -0.157070  -0.189013
+    1SOL     O4    4  -0.037111   0.094875   0.139222
+    1SOL     H5    5  -0.113653   0.143601   0.169706
+    1SOL     H6    6  -0.012808   0.137367   0.056966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061052   0.152462  -0.084833
+    0SOL     H2    2   0.021447   0.105919  -0.098620
+    0SOL     H3    3  -0.112571   0.094024  -0.029217
+    1SOL     O4    4   0.054900  -0.151298   0.081548
+    1SOL     H5    5   0.092120  -0.095882   0.012947
+    1SOL     H6    6   0.096221  -0.120601   0.162249
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062519  -0.003917   0.174256
+    0SOL     H2    2  -0.002445  -0.061496   0.133924
+    0SOL     H3    3   0.136781  -0.061204   0.193379
+    1SOL     O4    4  -0.057872   0.008196  -0.177047
+    1SOL     H5    5  -0.098167   0.094999  -0.179011
+    1SOL     H6    6  -0.102638  -0.037437  -0.105801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034557  -0.019811  -0.187000
+    0SOL     H2    2  -0.115707   0.029393  -0.174505
+    0SOL     H3    3  -0.056934  -0.109610  -0.162551
+    1SOL     O4    4   0.037439   0.016470   0.184068
+    1SOL     H5    5   0.047763   0.071090   0.261994
+    1SOL     H6    6   0.082908   0.064519   0.114886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023200   0.106602  -0.151371
+    0SOL     H2    2   0.064267   0.174644  -0.098023
+    0SOL     H3    3   0.025792   0.141217  -0.240576
+    1SOL     O4    4  -0.023784  -0.110871   0.159921
+    1SOL     H5    5  -0.084647  -0.180093   0.134107
+    1SOL     H6    6   0.004476  -0.071714   0.077275
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.191528   0.046472   0.025515
+    0SOL     H2    2  -0.196514  -0.039745   0.066796
+    0SOL     H3    3  -0.276751   0.086404   0.042973
+    1SOL     O4    4   0.191948  -0.042914  -0.025205
+    1SOL     H5    5   0.284616  -0.030861  -0.004478
+    1SOL     H6    6   0.191552  -0.075968  -0.115037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140209   0.097150  -0.110933
+    0SOL     H2    2  -0.091913   0.014741  -0.104724
+    0SOL     H3    3  -0.212259   0.078271  -0.171055
+    1SOL     O4    4   0.136109  -0.091053   0.109973
+    1SOL     H5    5   0.142414  -0.070304   0.203204
+    1SOL     H6    6   0.222545  -0.125226   0.087094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007325   0.122194  -0.169613
+    0SOL     H2    2   0.032791   0.122276  -0.082705
+    0SOL     H3    3  -0.101080   0.112797  -0.152759
+    1SOL     O4    4   0.006533  -0.116554   0.165887
+    1SOL     H5    5   0.020967  -0.201903   0.206748
+    1SOL     H6    6   0.060157  -0.118517   0.086623
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059729   0.068279   0.194082
+    0SOL     H2    2  -0.015359   0.089634   0.138692
+    0SOL     H3    3   0.103425  -0.003704   0.148569
+    1SOL     O4    4  -0.058884  -0.071683  -0.188411
+    1SOL     H5    5  -0.015252  -0.019542  -0.255789
+    1SOL     H6    6  -0.088257  -0.007549  -0.123708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028811   0.076133   0.189896
+    0SOL     H2    2   0.116763   0.107038   0.168183
+    0SOL     H3    3   0.035220   0.047599   0.281039
+    1SOL     O4    4  -0.032596  -0.074571  -0.199698
+    1SOL     H5    5  -0.029928  -0.159843  -0.156293
+    1SOL     H6    6  -0.061910  -0.013930  -0.131686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046826   0.184513  -0.102872
+    0SOL     H2    2   0.032202   0.208532  -0.054499
+    0SOL     H3    3  -0.024187   0.199304  -0.194692
+    1SOL     O4    4   0.037393  -0.181258   0.106314
+    1SOL     H5    5   0.036534  -0.236065   0.027843
+    1SOL     H6    6   0.098862  -0.224834   0.165349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122145  -0.168121  -0.101547
+    0SOL     H2    2   0.102034  -0.157986  -0.008514
+    0SOL     H3    3   0.038032  -0.156384  -0.145701
+    1SOL     O4    4  -0.116420   0.169187   0.092439
+    1SOL     H5    5  -0.060207   0.098823   0.124863
+    1SOL     H6    6  -0.166474   0.197165   0.169082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034777   0.219544  -0.062217
+    0SOL     H2    2   0.023071   0.151066  -0.095783
+    0SOL     H3    3  -0.101198   0.230348  -0.130290
+    1SOL     O4    4   0.039784  -0.213893   0.070800
+    1SOL     H5    5  -0.052552  -0.202417   0.093263
+    1SOL     H6    6   0.038894  -0.271284  -0.005802
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029327  -0.162179  -0.180211
+    0SOL     H2    2   0.105012  -0.139289  -0.126266
+    0SOL     H3    3  -0.042113  -0.109002  -0.145128
+    1SOL     O4    4  -0.028316   0.152486   0.170574
+    1SOL     H5    5  -0.074328   0.233740   0.149527
+    1SOL     H6    6  -0.006605   0.160566   0.263449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051012  -0.242118  -0.025671
+    0SOL     H2    2   0.039149  -0.226687   0.002529
+    0SOL     H3    3  -0.092655  -0.156054  -0.021085
+    1SOL     O4    4   0.043967   0.230335   0.023460
+    1SOL     H5    5   0.137230   0.234284   0.002273
+    1SOL     H6    6   0.021282   0.319836   0.048706
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078025   0.066326  -0.231165
+    0SOL     H2    2   0.090183   0.161271  -0.231026
+    0SOL     H3    3   0.064646   0.043980  -0.323274
+    1SOL     O4    4  -0.078262  -0.068574   0.229560
+    1SOL     H5    5  -0.001484  -0.102686   0.275428
+    1SOL     H6    6  -0.146079  -0.063316   0.296905
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133424  -0.107019   0.192003
+    0SOL     H2    2  -0.170025  -0.084341   0.106514
+    0SOL     H3    3  -0.209860  -0.122963   0.247370
+    1SOL     O4    4   0.136874   0.111668  -0.192080
+    1SOL     H5    5   0.231955   0.109809  -0.181188
+    1SOL     H6    6   0.108133   0.023856  -0.167074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080999  -0.165490   0.188983
+    0SOL     H2    2  -0.066178  -0.259468   0.178457
+    0SOL     H3    3  -0.173626  -0.153320   0.168140
+    1SOL     O4    4   0.087848   0.167057  -0.181460
+    1SOL     H5    5   0.035885   0.125015  -0.249977
+    1SOL     H6    6   0.095295   0.258261  -0.209544
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037895   0.273049   0.013295
+    0SOL     H2    2   0.016319   0.287329  -0.078862
+    0SOL     H3    3   0.089869   0.192669   0.013598
+    1SOL     O4    4  -0.038538  -0.263160  -0.011658
+    1SOL     H5    5  -0.117945  -0.288193   0.035568
+    1SOL     H6    6   0.022503  -0.335174   0.004166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062673   0.262013  -0.027084
+    0SOL     H2    2  -0.154205   0.243177  -0.047804
+    0SOL     H3    3  -0.045391   0.346247  -0.069134
+    1SOL     O4    4   0.065094  -0.272266   0.032918
+    1SOL     H5    5   0.054382  -0.190468   0.081464
+    1SOL     H6    6   0.109081  -0.246506  -0.048100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042795  -0.147482   0.237182
+    0SOL     H2    2   0.076480  -0.078589   0.179900
+    0SOL     H3    3  -0.046606  -0.162616   0.206510
+    1SOL     O4    4  -0.038098   0.144094  -0.238407
+    1SOL     H5    5  -0.101737   0.090714  -0.190836
+    1SOL     H6    6  -0.008628   0.208960  -0.174484
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022659   0.213609  -0.168899
+    0SOL     H2    2   0.081238   0.240300  -0.239740
+    0SOL     H3    3  -0.040747   0.284986  -0.162010
+    1SOL     O4    4  -0.028693  -0.219489   0.169001
+    1SOL     H5    5  -0.006312  -0.257372   0.254008
+    1SOL     H6    6   0.051603  -0.176080   0.140182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018453   0.259786  -0.118063
+    0SOL     H2    2   0.063925   0.306922  -0.105640
+    0SOL     H3    3  -0.073782   0.320649  -0.167019
+    1SOL     O4    4   0.014757  -0.271114   0.116424
+    1SOL     H5    5  -0.039418  -0.210180   0.166568
+    1SOL     H6    6   0.104424  -0.240775   0.130621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045651  -0.181691   0.247404
+    0SOL     H2    2  -0.049810  -0.182578   0.240434
+    0SOL     H3    3   0.076380  -0.188992   0.157045
+    1SOL     O4    4  -0.039998   0.187291  -0.244625
+    1SOL     H5    5  -0.129066   0.170096  -0.214070
+    1SOL     H6    6   0.009240   0.108857  -0.220418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082503   0.256735  -0.157156
+    0SOL     H2    2  -0.111840   0.200124  -0.228548
+    0SOL     H3    3  -0.073808   0.343258  -0.197162
+    1SOL     O4    4   0.085380  -0.259320   0.169979
+    1SOL     H5    5   0.052944  -0.178319   0.130621
+    1SOL     H6    6   0.087059  -0.322105   0.097745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116077   0.243886  -0.203017
+    0SOL     H2    2   0.125356   0.334785  -0.231542
+    0SOL     H3    3   0.125812   0.192468  -0.283165
+    1SOL     O4    4  -0.117391  -0.241580   0.213828
+    1SOL     H5    5  -0.047756  -0.304116   0.193764
+    1SOL     H6    6  -0.182071  -0.254619   0.144482
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122643   0.328441   0.119063
+    0SOL     H2    2  -0.218078   0.335799   0.119491
+    0SOL     H3    3  -0.102825   0.269080   0.191491
+    1SOL     O4    4   0.129666  -0.331874  -0.122642
+    1SOL     H5    5   0.158301  -0.255416  -0.172607
+    1SOL     H6    6   0.051695  -0.302094  -0.075781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.190846   0.083988   0.350231
+    0SOL     H2    2  -0.147633   0.012326   0.303759
+    0SOL     H3    3  -0.146233   0.162892   0.319471
+    1SOL     O4    4   0.183168  -0.078720  -0.345010
+    1SOL     H5    5   0.250509  -0.097612  -0.410361
+    1SOL     H6    6   0.169488  -0.162015  -0.299876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036247   0.388808   0.112403
+    0SOL     H2    2   0.034938   0.330282   0.138282
+    0SOL     H3    3  -0.028495   0.463649   0.171572
+    1SOL     O4    4   0.029180  -0.395407  -0.115889
+    1SOL     H5    5   0.087648  -0.337803  -0.066639
+    1SOL     H6    6   0.008139  -0.346120  -0.195201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007275  -0.424751  -0.157752
+    0SOL     H2    2  -0.018830  -0.455637  -0.067892
+    0SOL     H3    3   0.019394  -0.333293  -0.148450
+    1SOL     O4    4   0.011607   0.423736   0.155171
+    1SOL     H5    5  -0.009141   0.426974   0.061783
+    1SOL     H6    6  -0.061819   0.376530   0.194446
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.146787  -0.368681   0.237818
+    0SOL     H2    2   0.054745  -0.390711   0.252142
+    0SOL     H3    3   0.190746  -0.453324   0.229731
+    1SOL     O4    4  -0.144925   0.381182  -0.236401
+    1SOL     H5    5  -0.183493   0.336024  -0.311471
+    1SOL     H6    6  -0.088761   0.315546  -0.195173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048476   0.274103  -0.381861
+    0SOL     H2    2  -0.026378   0.255632  -0.473145
+    0SOL     H3    3  -0.143707   0.283767  -0.381705
+    1SOL     O4    4   0.054371  -0.277516   0.391718
+    1SOL     H5    5  -0.028299  -0.229779   0.384713
+    1SOL     H6    6   0.101707  -0.255434   0.311505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135583   0.116634   0.486683
+    0SOL     H2    2  -0.158572   0.156180   0.570766
+    0SOL     H3    3  -0.047313   0.148807   0.468364
+    1SOL     O4    4   0.128451  -0.126114  -0.490179
+    1SOL     H5    5   0.097123  -0.038441  -0.512416
+    1SOL     H6    6   0.221089  -0.113939  -0.469387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035521   0.466840  -0.249165
+    0SOL     H2    2  -0.037755   0.432409  -0.198102
+    0SOL     H3    3   0.003889   0.466897  -0.339507
+    1SOL     O4    4  -0.029343  -0.459692   0.255230
+    1SOL     H5    5   0.043437  -0.511871   0.221427
+    1SOL     H6    6  -0.107458  -0.500249   0.217607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/310K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002322  -0.488347  -0.373041
+    0SOL     H2    2  -0.082331  -0.460967  -0.408347
+    0SOL     H3    3   0.057466  -0.410394  -0.379740
+    1SOL     O4    4  -0.000872   0.481585   0.368444
+    1SOL     H5    5  -0.063458   0.450557   0.433886
+    1SOL     H6    6   0.063994   0.530839   0.418730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021867  -0.103257   0.054475
+    0SOL     H2    2   0.043436  -0.143598   0.111663
+    0SOL     H3    3  -0.101745  -0.100923   0.107166
+    1SOL     O4    4   0.020988   0.110801  -0.057214
+    1SOL     H5    5   0.062564   0.115892  -0.143283
+    1SOL     H6    6   0.011310   0.017006  -0.040746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016451   0.016625   0.123973
+    0SOL     H2    2  -0.024030   0.062173   0.197790
+    0SOL     H3    3   0.052823  -0.063283   0.162106
+    1SOL     O4    4  -0.022201  -0.016825  -0.132951
+    1SOL     H5    5   0.001412  -0.008333  -0.040579
+    1SOL     H6    6   0.056319   0.010478  -0.180401
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035758   0.093724  -0.093003
+    0SOL     H2    2   0.000896   0.048079  -0.169577
+    0SOL     H3    3   0.015640   0.035934  -0.019397
+    1SOL     O4    4  -0.029598  -0.082186   0.090082
+    1SOL     H5    5   0.016118  -0.162521   0.114955
+    1SOL     H6    6  -0.120650  -0.097610   0.115262
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088654   0.075579   0.070665
+    0SOL     H2    2   0.033254   0.019448   0.016421
+    0SOL     H3    3   0.166285   0.022537   0.088616
+    1SOL     O4    4  -0.089098  -0.067398  -0.061519
+    1SOL     H5    5  -0.062927  -0.148041  -0.105949
+    1SOL     H6    6  -0.124853  -0.012199  -0.131067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012168  -0.075598  -0.108234
+    0SOL     H2    2   0.073186  -0.118003  -0.099360
+    0SOL     H3    3   0.000183  -0.011149  -0.177921
+    1SOL     O4    4   0.011198   0.072716   0.117020
+    1SOL     H5    5  -0.056596   0.140290   0.116977
+    1SOL     H6    6  -0.002659   0.024767   0.035343
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023901   0.052776  -0.115744
+    0SOL     H2    2   0.008938  -0.002355  -0.192548
+    0SOL     H3    3   0.103218   0.102096  -0.136690
+    1SOL     O4    4  -0.033215  -0.053660   0.124580
+    1SOL     H5    5   0.051223  -0.049005   0.169424
+    1SOL     H6    6  -0.013044  -0.033264   0.033259
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101046   0.080753  -0.028236
+    0SOL     H2    2   0.126764   0.053812  -0.116413
+    0SOL     H3    3   0.072879   0.171692  -0.038185
+    1SOL     O4    4  -0.107376  -0.081618   0.033963
+    1SOL     H5    5  -0.078145  -0.171873   0.046687
+    1SOL     H6    6  -0.026859  -0.032307   0.018226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042985   0.058003  -0.123476
+    0SOL     H2    2  -0.025205   0.135222  -0.069780
+    0SOL     H3    3  -0.032854  -0.015840  -0.063419
+    1SOL     O4    4   0.035236  -0.058046   0.115805
+    1SOL     H5    5   0.091881   0.016701   0.134953
+    1SOL     H6    6   0.094746  -0.132927   0.112095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042864   0.096867   0.089363
+    0SOL     H2    2   0.000467   0.012207   0.075307
+    0SOL     H3    3  -0.009111   0.138627   0.158043
+    1SOL     O4    4  -0.036792  -0.094943  -0.085555
+    1SOL     H5    5   0.022864  -0.121692  -0.155469
+    1SOL     H6    6  -0.110326  -0.053968  -0.131119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077236   0.004484   0.105156
+    0SOL     H2    2   0.068161  -0.027169   0.195034
+    0SOL     H3    3   0.171750   0.008420   0.090527
+    1SOL     O4    4  -0.085332  -0.008004  -0.112371
+    1SOL     H5    5  -0.018520  -0.008639  -0.043829
+    1SOL     H6    6  -0.097879   0.084665  -0.132798
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.049152  -0.116611  -0.050804
+    0SOL     H2    2   0.056110  -0.105526  -0.145625
+    0SOL     H3    3   0.130511  -0.079828  -0.016307
+    1SOL     O4    4  -0.060500   0.116884   0.054299
+    1SOL     H5    5  -0.031898   0.044445  -0.001349
+    1SOL     H6    6   0.017800   0.141791   0.103402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112872   0.028053   0.064653
+    0SOL     H2    2  -0.133081  -0.006933  -0.022122
+    0SOL     H3    3  -0.197162   0.058082   0.098649
+    1SOL     O4    4   0.122205  -0.033080  -0.063603
+    1SOL     H5    5   0.133395   0.054665  -0.100180
+    1SOL     H6    6   0.062076  -0.020960   0.009881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108039  -0.071365   0.052089
+    0SOL     H2    2  -0.056166  -0.028585  -0.016038
+    0SOL     H3    3  -0.131218  -0.156404   0.014760
+    1SOL     O4    4   0.103324   0.073876  -0.039560
+    1SOL     H5    5   0.102175   0.142874  -0.105895
+    1SOL     H6    6   0.156612   0.004359  -0.078162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052683   0.103804  -0.082872
+    0SOL     H2    2   0.019014   0.169224  -0.021643
+    0SOL     H3    3   0.019707   0.020405  -0.049413
+    1SOL     O4    4  -0.051488  -0.096492   0.079473
+    1SOL     H5    5   0.018047  -0.145362   0.123505
+    1SOL     H6    6  -0.079981  -0.154008   0.008463
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110970   0.046332   0.059173
+    0SOL     H2    2   0.162920   0.050553  -0.021112
+    0SOL     H3    3   0.121514   0.132664   0.099147
+    1SOL     O4    4  -0.117022  -0.057185  -0.053431
+    1SOL     H5    5  -0.033818  -0.011632  -0.040610
+    1SOL     H6    6  -0.160238  -0.008859  -0.123853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032116  -0.102906  -0.090544
+    0SOL     H2    2   0.051169  -0.082412  -0.182083
+    0SOL     H3    3   0.006363  -0.019134  -0.052055
+    1SOL     O4    4  -0.025981   0.094748   0.089252
+    1SOL     H5    5  -0.105765   0.141222   0.064016
+    1SOL     H6    6  -0.036408   0.078308   0.182971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082878   0.094144  -0.066768
+    0SOL     H2    2  -0.163680   0.046844  -0.086670
+    0SOL     H3    3  -0.026012   0.028579  -0.026397
+    1SOL     O4    4   0.081699  -0.083703   0.061635
+    1SOL     H5    5   0.128054  -0.165529   0.043804
+    1SOL     H6    6   0.085340  -0.074309   0.156824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116221  -0.071497   0.036504
+    0SOL     H2    2  -0.058386  -0.004770  -0.000439
+    0SOL     H3    3  -0.189327  -0.022048   0.073553
+    1SOL     O4    4   0.115436   0.059209  -0.040078
+    1SOL     H5    5   0.167860   0.065880   0.039731
+    1SOL     H6    6   0.090055   0.149387  -0.059727
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062359  -0.046481   0.117096
+    0SOL     H2    2  -0.030735  -0.044608   0.026770
+    0SOL     H3    3  -0.096321  -0.135206   0.128797
+    1SOL     O4    4   0.057461   0.047127  -0.112339
+    1SOL     H5    5   0.059441   0.135013  -0.150214
+    1SOL     H6    6   0.146683   0.032531  -0.080895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011575  -0.115654   0.081728
+    0SOL     H2    2  -0.015390  -0.066092   0.004405
+    0SOL     H3    3  -0.070541  -0.140019   0.124455
+    1SOL     O4    4  -0.001316   0.109468  -0.076297
+    1SOL     H5    5  -0.041588   0.190304  -0.044579
+    1SOL     H6    6  -0.023936   0.106254  -0.169251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044974  -0.084034  -0.105823
+    0SOL     H2    2   0.010676  -0.093504  -0.183126
+    0SOL     H3    3  -0.007602  -0.009828  -0.058293
+    1SOL     O4    4   0.035075   0.077405   0.103667
+    1SOL     H5    5   0.037715   0.166802   0.137777
+    1SOL     H6    6   0.114148   0.036125   0.138391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063890   0.041489   0.111331
+    0SOL     H2    2  -0.153576   0.043355   0.144726
+    0SOL     H3    3  -0.037743   0.133494   0.107622
+    1SOL     O4    4   0.074048  -0.049315  -0.111651
+    1SOL     H5    5   0.025548  -0.057383  -0.193779
+    1SOL     H6    6   0.013853  -0.004045  -0.052579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023306  -0.128831  -0.058221
+    0SOL     H2    2   0.049711  -0.040313  -0.033127
+    0SOL     H3    3  -0.003355  -0.120865  -0.149808
+    1SOL     O4    4  -0.022085   0.118562   0.057980
+    1SOL     H5    5   0.017848   0.205009   0.048259
+    1SOL     H6    6  -0.079087   0.126916   0.134421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122825   0.058186   0.018261
+    0SOL     H2    2  -0.187557   0.049130  -0.051668
+    0SOL     H3    3  -0.088030   0.146699   0.007439
+    1SOL     O4    4   0.130045  -0.063437  -0.009515
+    1SOL     H5    5   0.123380  -0.085305  -0.102465
+    1SOL     H6    6   0.043220  -0.030479   0.013671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110460   0.089621   0.020669
+    0SOL     H2    2   0.055476   0.017477  -0.009898
+    0SOL     H3    3   0.178352   0.047413   0.073314
+    1SOL     O4    4  -0.105934  -0.084867  -0.017610
+    1SOL     H5    5  -0.185814  -0.037679   0.005941
+    1SOL     H6    6  -0.111607  -0.095772  -0.112538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016285   0.098899  -0.089164
+    0SOL     H2    2  -0.012673   0.187695  -0.068210
+    0SOL     H3    3   0.053596   0.105933  -0.177032
+    1SOL     O4    4  -0.011509  -0.107564   0.095350
+    1SOL     H5    5  -0.102933  -0.135905   0.096266
+    1SOL     H6    6  -0.013457  -0.021588   0.053317
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036090   0.077392   0.104050
+    0SOL     H2    2   0.031249   0.048728   0.195249
+    0SOL     H3    3   0.116208   0.129571   0.099514
+    1SOL     O4    4  -0.043781  -0.076419  -0.114491
+    1SOL     H5    5  -0.022124  -0.167553  -0.094796
+    1SOL     H6    6  -0.009616  -0.026991  -0.039980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011860   0.110890  -0.095369
+    0SOL     H2    2  -0.088376   0.066751  -0.132238
+    0SOL     H3    3   0.028248   0.045542  -0.038068
+    1SOL     O4    4   0.018971  -0.105105   0.089050
+    1SOL     H5    5  -0.063858  -0.152999   0.091853
+    1SOL     H6    6   0.019577  -0.053471   0.169647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058186   0.122895   0.006238
+    0SOL     H2    2  -0.065913   0.163318   0.092659
+    0SOL     H3    3  -0.048651   0.196671  -0.053999
+    1SOL     O4    4   0.055576  -0.133935  -0.003745
+    1SOL     H5    5   0.017963  -0.049749  -0.029439
+    1SOL     H6    6   0.140962  -0.136258  -0.046944
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033876   0.106472  -0.083055
+    0SOL     H2    2  -0.064226   0.062316  -0.162373
+    0SOL     H3    3  -0.113842   0.138534  -0.041344
+    1SOL     O4    4   0.037846  -0.111816   0.086398
+    1SOL     H5    5  -0.005450  -0.035211   0.048721
+    1SOL     H6    6   0.127230  -0.082543   0.104173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047378  -0.136343  -0.020735
+    0SOL     H2    2   0.024077  -0.046296   0.001871
+    0SOL     H3    3   0.100257  -0.128243  -0.100111
+    1SOL     O4    4  -0.045679   0.125324   0.021034
+    1SOL     H5    5  -0.057746   0.212911  -0.015644
+    1SOL     H6    6  -0.088791   0.128913   0.106420
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052774  -0.123102  -0.027799
+    0SOL     H2    2   0.008370  -0.191736  -0.077597
+    0SOL     H3    3   0.107277  -0.170478   0.035028
+    1SOL     O4    4  -0.056554   0.130466   0.033260
+    1SOL     H5    5  -0.070718   0.170088  -0.052716
+    1SOL     H6    6   0.008567   0.062054   0.017722
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124755   0.023601  -0.073247
+    0SOL     H2    2   0.088609   0.037963  -0.160709
+    0SOL     H3    3   0.049990  -0.005041  -0.020787
+    1SOL     O4    4  -0.113746  -0.026238   0.071680
+    1SOL     H5    5  -0.200848  -0.054614   0.099435
+    1SOL     H6    6  -0.106362   0.063587   0.103919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124974   0.041338   0.039464
+    0SOL     H2    2  -0.149978   0.062874  -0.050388
+    0SOL     H3    3  -0.204467   0.056123   0.090694
+    1SOL     O4    4   0.137068  -0.044822  -0.036037
+    1SOL     H5    5   0.090241  -0.068076  -0.116216
+    1SOL     H6    6   0.073115   0.004022   0.015797
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113721  -0.078012  -0.001362
+    0SOL     H2    2  -0.145341  -0.168269  -0.005403
+    0SOL     H3    3  -0.165804  -0.037416   0.067930
+    1SOL     O4    4   0.121690   0.080483  -0.007893
+    1SOL     H5    5   0.039542   0.036038   0.013051
+    1SOL     H6    6   0.144249   0.128124   0.072005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111124  -0.085814   0.053644
+    0SOL     H2    2   0.028676  -0.054517   0.016426
+    0SOL     H3    3   0.126656  -0.028771   0.128925
+    1SOL     O4    4  -0.104950   0.074044  -0.056206
+    1SOL     H5    5  -0.197016   0.100201  -0.057650
+    1SOL     H6    6  -0.056647   0.156522  -0.051049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000199   0.074937   0.120816
+    0SOL     H2    2   0.068246   0.116931   0.173432
+    0SOL     H3    3  -0.047764   0.147657   0.081147
+    1SOL     O4    4  -0.006314  -0.086073  -0.122622
+    1SOL     H5    5   0.063302  -0.061009  -0.183348
+    1SOL     H6    6   0.007378  -0.030270  -0.046066
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095865   0.093571  -0.070128
+    0SOL     H2    2  -0.165379   0.030351  -0.088385
+    0SOL     H3    3  -0.022525   0.040355  -0.039277
+    1SOL     O4    4   0.088959  -0.088448   0.066917
+    1SOL     H5    5   0.117231  -0.077088   0.157658
+    1SOL     H6    6   0.166249  -0.066716   0.014799
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013721   0.107455  -0.104944
+    0SOL     H2    2  -0.033330   0.052557  -0.180865
+    0SOL     H3    3   0.002620   0.045327  -0.033984
+    1SOL     O4    4   0.013922  -0.096079   0.101218
+    1SOL     H5    5  -0.059018  -0.156926   0.113039
+    1SOL     H6    6   0.082858  -0.129854   0.158396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042923  -0.122319   0.061197
+    0SOL     H2    2   0.091574  -0.102166   0.141130
+    0SOL     H3    3   0.031742  -0.217363   0.063226
+    1SOL     O4    4  -0.041762   0.132524  -0.068241
+    1SOL     H5    5  -0.136141   0.120054  -0.058277
+    1SOL     H6    6  -0.003471   0.049439  -0.040083
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111808  -0.045528  -0.090882
+    0SOL     H2    2  -0.077822   0.013976  -0.157714
+    0SOL     H3    3  -0.160874   0.010950  -0.031175
+    1SOL     O4    4   0.113901   0.045191   0.095238
+    1SOL     H5    5   0.167925  -0.031781   0.077377
+    1SOL     H6    6   0.034018   0.030736   0.044522
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063224  -0.114780   0.082480
+    0SOL     H2    2  -0.011550  -0.127214   0.140932
+    0SOL     H3    3   0.047185  -0.030187   0.040658
+    1SOL     O4    4  -0.052469   0.105651  -0.083012
+    1SOL     H5    5  -0.046850   0.200627  -0.072513
+    1SOL     H6    6  -0.144881   0.088983  -0.101571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031666  -0.050268   0.131614
+    0SOL     H2    2   0.114145  -0.021935   0.171071
+    0SOL     H3    3  -0.014034  -0.096319   0.201993
+    1SOL     O4    4  -0.033555   0.049552  -0.144361
+    1SOL     H5    5  -0.022469  -0.010479  -0.070633
+    1SOL     H6    6  -0.048573   0.134920  -0.103751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056888  -0.128348   0.039989
+    0SOL     H2    2   0.106140  -0.210179   0.033655
+    0SOL     H3    3   0.071162  -0.098641   0.129857
+    1SOL     O4    4  -0.057790   0.135135  -0.049435
+    1SOL     H5    5  -0.143124   0.141597  -0.006555
+    1SOL     H6    6  -0.015720   0.059833  -0.007937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054036   0.130796   0.041413
+    0SOL     H2    2  -0.047981   0.221127   0.072493
+    0SOL     H3    3  -0.080352   0.080591   0.118544
+    1SOL     O4    4   0.050261  -0.137090  -0.050298
+    1SOL     H5    5   0.040017  -0.052222  -0.007232
+    1SOL     H6    6   0.144743  -0.152424  -0.050946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085891  -0.041813   0.113722
+    0SOL     H2    2   0.100696   0.032239   0.172540
+    0SOL     H3    3   0.032054  -0.102460   0.164573
+    1SOL     O4    4  -0.088577   0.036385  -0.121155
+    1SOL     H5    5  -0.008751   0.028674  -0.068899
+    1SOL     H6    6  -0.083625   0.123828  -0.159775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029477   0.153516  -0.015879
+    0SOL     H2    2  -0.068304   0.178691   0.067913
+    0SOL     H3    3  -0.003397   0.062216  -0.003779
+    1SOL     O4    4   0.035461  -0.149662   0.007490
+    1SOL     H5    5  -0.054812  -0.154768  -0.023926
+    1SOL     H6    6   0.027771  -0.150803   0.102894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124682  -0.066640  -0.079509
+    0SOL     H2    2   0.115554   0.009903  -0.022761
+    0SOL     H3    3   0.034792  -0.094961  -0.096246
+    1SOL     O4    4  -0.116049   0.069247   0.073255
+    1SOL     H5    5  -0.209902   0.058782   0.088892
+    1SOL     H6    6  -0.075209  -0.000116   0.125054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069111   0.023208   0.145144
+    0SOL     H2    2  -0.003716  -0.035220   0.124055
+    0SOL     H3    3   0.140590  -0.006189   0.088674
+    1SOL     O4    4  -0.064133  -0.012773  -0.141628
+    1SOL     H5    5  -0.090339  -0.083874  -0.200110
+    1SOL     H6    6  -0.117224  -0.025558  -0.063014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080730  -0.018603  -0.133842
+    0SOL     H2    2   0.157449   0.025293  -0.170580
+    0SOL     H3    3   0.014953   0.050503  -0.126103
+    1SOL     O4    4  -0.079414   0.017595   0.140044
+    1SOL     H5    5  -0.091730   0.025506   0.045450
+    1SOL     H6    6  -0.101549  -0.073455   0.159596
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123783   0.102112  -0.019039
+    0SOL     H2    2  -0.205271   0.059612  -0.045793
+    0SOL     H3    3  -0.062337   0.029943  -0.005689
+    1SOL     O4    4   0.125786  -0.095224   0.026353
+    1SOL     H5    5   0.182677  -0.066403  -0.045026
+    1SOL     H6    6   0.053139  -0.139693  -0.017321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.160035  -0.004643   0.026499
+    0SOL     H2    2   0.168267  -0.014519   0.121352
+    0SOL     H3    3   0.080435  -0.052886   0.004166
+    1SOL     O4    4  -0.156292   0.013912  -0.026872
+    1SOL     H5    5  -0.190984  -0.003256  -0.114416
+    1SOL     H6    6  -0.119798  -0.069956   0.001353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027372   0.112722  -0.115608
+    0SOL     H2    2   0.027615   0.046290  -0.074069
+    0SOL     H3    3  -0.095829   0.062791  -0.160139
+    1SOL     O4    4   0.031549  -0.102095   0.112849
+    1SOL     H5    5  -0.011656  -0.179491   0.076716
+    1SOL     H6    6   0.009527  -0.103604   0.205989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015021   0.135672  -0.090410
+    0SOL     H2    2  -0.007036   0.061634  -0.030269
+    0SOL     H3    3   0.060401   0.191103  -0.070380
+    1SOL     O4    4   0.008641  -0.128497   0.083108
+    1SOL     H5    5  -0.049414  -0.193137   0.123278
+    1SOL     H6    6   0.095401  -0.168790   0.086472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096597   0.105746   0.056885
+    0SOL     H2    2  -0.128093   0.178462   0.003195
+    0SOL     H3    3  -0.173782   0.076519   0.105367
+    1SOL     O4    4   0.106672  -0.105282  -0.061637
+    1SOL     H5    5   0.023281  -0.078280  -0.023178
+    1SOL     H6    6   0.130948  -0.184246  -0.013287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126673  -0.100244   0.012230
+    0SOL     H2    2  -0.091609  -0.011406   0.005856
+    0SOL     H3    3  -0.203985  -0.091586   0.067999
+    1SOL     O4    4   0.122994   0.092167  -0.018000
+    1SOL     H5    5   0.156143   0.181778  -0.023772
+    1SOL     H6    6   0.184051   0.047734   0.040821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054676   0.002996   0.154618
+    0SOL     H2    2   0.083081   0.089138   0.124040
+    0SOL     H3    3  -0.040740   0.005203   0.147323
+    1SOL     O4    4  -0.048940  -0.004087  -0.147275
+    1SOL     H5    5  -0.051706  -0.099761  -0.148395
+    1SOL     H6    6  -0.080265   0.021842  -0.233928
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066450   0.100139   0.109145
+    0SOL     H2    2   0.111961   0.073257   0.188947
+    0SOL     H3    3  -0.013320   0.142926   0.140264
+    1SOL     O4    4  -0.061555  -0.105912  -0.118592
+    1SOL     H5    5  -0.153835  -0.081761  -0.126558
+    1SOL     H6    6  -0.025692  -0.043260  -0.055736
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056917  -0.157062   0.053404
+    0SOL     H2    2  -0.000615  -0.079849   0.047875
+    0SOL     H3    3  -0.127839  -0.139527  -0.008443
+    1SOL     O4    4   0.051510   0.151138  -0.047084
+    1SOL     H5    5   0.086924   0.124166  -0.131823
+    1SOL     H6    6   0.127438   0.183317   0.001515
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132537  -0.101024  -0.039598
+    0SOL     H2    2  -0.061344  -0.069132  -0.095066
+    0SOL     H3    3  -0.155235  -0.186416  -0.076414
+    1SOL     O4    4   0.129798   0.107875   0.051430
+    1SOL     H5    5   0.121502   0.141598  -0.037768
+    1SOL     H6    6   0.132666   0.012773   0.040962
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101879   0.034253  -0.146946
+    0SOL     H2    2  -0.102599  -0.017693  -0.066550
+    0SOL     H3    3  -0.149660   0.114065  -0.124378
+    1SOL     O4    4   0.100240  -0.031054   0.140480
+    1SOL     H5    5   0.104702  -0.114219   0.093300
+    1SOL     H6    6   0.175820  -0.032686   0.199194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016759  -0.173877  -0.065293
+    0SOL     H2    2  -0.077545  -0.102277  -0.046828
+    0SOL     H3    3   0.069331  -0.132133  -0.068162
+    1SOL     O4    4   0.015407   0.160197   0.063779
+    1SOL     H5    5   0.017901   0.223322  -0.008133
+    1SOL     H6    6   0.012337   0.214027   0.142869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.082853   0.067578  -0.146494
+    0SOL     H2    2   0.053001   0.104714  -0.229513
+    0SOL     H3    3   0.041679   0.122238  -0.079568
+    1SOL     O4    4  -0.077940  -0.069054   0.152917
+    1SOL     H5    5  -0.160101  -0.084378   0.106258
+    1SOL     H6    6  -0.012541  -0.118067   0.103088
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076690  -0.009569  -0.173866
+    0SOL     H2    2   0.008242  -0.053608  -0.224240
+    0SOL     H3    3   0.070731  -0.048128  -0.086458
+    1SOL     O4    4  -0.067164   0.018226   0.169810
+    1SOL     H5    5  -0.086267  -0.019969   0.255475
+    1SOL     H6    6  -0.139555  -0.010377   0.114098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063616  -0.106636   0.142465
+    0SOL     H2    2   0.079722  -0.106432   0.236820
+    0SOL     H3    3   0.098148  -0.190697   0.112406
+    1SOL     O4    4  -0.071122   0.108316  -0.150053
+    1SOL     H5    5  -0.042522   0.087628  -0.061079
+    1SOL     H6    6  -0.019780   0.185324  -0.174468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016633  -0.027553  -0.195387
+    0SOL     H2    2  -0.105805  -0.041888  -0.227090
+    0SOL     H3    3   0.035474  -0.094964  -0.239011
+    1SOL     O4    4   0.014422   0.036759   0.201386
+    1SOL     H5    5   0.009827  -0.056432   0.222756
+    1SOL     H6    6   0.090047   0.044337   0.143199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111576  -0.157556  -0.079712
+    0SOL     H2    2   0.066928  -0.119484  -0.155339
+    0SOL     H3    3   0.201361  -0.124966  -0.085938
+    1SOL     O4    4  -0.112924   0.154326   0.089370
+    1SOL     H5    5  -0.118825   0.073952   0.037721
+    1SOL     H6    6  -0.123698   0.224767   0.025461
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.115066   0.098789   0.151282
+    0SOL     H2    2   0.094088   0.023816   0.095593
+    0SOL     H3    3   0.179911   0.065286   0.213209
+    1SOL     O4    4  -0.118388  -0.086288  -0.153155
+    1SOL     H5    5  -0.071782  -0.125319  -0.079217
+    1SOL     H6    6  -0.151842  -0.161093  -0.202626
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075419   0.195530   0.049114
+    0SOL     H2    2   0.091485   0.102146   0.062666
+    0SOL     H3    3   0.054953   0.229264   0.136324
+    1SOL     O4    4  -0.074686  -0.196563  -0.050507
+    1SOL     H5    5  -0.152441  -0.148161  -0.078324
+    1SOL     H6    6  -0.004227  -0.162518  -0.105632
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060056   0.131401   0.165257
+    0SOL     H2    2  -0.153606   0.116609   0.179109
+    0SOL     H3    3  -0.046994   0.223848   0.186356
+    1SOL     O4    4   0.062156  -0.141682  -0.168562
+    1SOL     H5    5   0.041545  -0.057286  -0.208747
+    1SOL     H6    6   0.127449  -0.121100  -0.101662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011247   0.187467   0.123240
+    0SOL     H2    2   0.022334   0.237651   0.197510
+    0SOL     H3    3  -0.024682   0.252587   0.054383
+    1SOL     O4    4   0.011091  -0.193165  -0.130038
+    1SOL     H5    5   0.022987  -0.277418  -0.086195
+    1SOL     H6    6  -0.019974  -0.134431  -0.061135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024859   0.143792   0.179848
+    0SOL     H2    2  -0.032514   0.171711   0.108495
+    0SOL     H3    3   0.006248   0.205073   0.250986
+    1SOL     O4    4  -0.026132  -0.149128  -0.177244
+    1SOL     H5    5   0.025898  -0.224970  -0.203762
+    1SOL     H6    6   0.029032  -0.073720  -0.198048
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014157  -0.235685  -0.052866
+    0SOL     H2    2   0.100487  -0.198190  -0.070289
+    0SOL     H3    3  -0.012798  -0.273731  -0.136461
+    1SOL     O4    4  -0.016070   0.238965   0.064309
+    1SOL     H5    5  -0.012176   0.265022  -0.027714
+    1SOL     H6    6  -0.048570   0.148951   0.062408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095345   0.211305  -0.064534
+    0SOL     H2    2   0.131720   0.228093  -0.151467
+    0SOL     H3    3   0.062111   0.296281  -0.035606
+    1SOL     O4    4  -0.097014  -0.222424   0.071416
+    1SOL     H5    5  -0.028628  -0.158258   0.090611
+    1SOL     H6    6  -0.138845  -0.189806  -0.008263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.188460   0.099930  -0.121332
+    0SOL     H2    2  -0.265270   0.098486  -0.178433
+    0SOL     H3    3  -0.142107   0.018621  -0.141398
+    1SOL     O4    4   0.192910  -0.097270   0.120557
+    1SOL     H5    5   0.199033  -0.011114   0.161811
+    1SOL     H6    6   0.135744  -0.147621   0.178514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056215   0.038794  -0.250030
+    0SOL     H2    2  -0.149983   0.028684  -0.233668
+    0SOL     H3    3  -0.020151   0.067362  -0.166092
+    1SOL     O4    4   0.061380  -0.034772   0.250026
+    1SOL     H5    5  -0.008659  -0.025115   0.185499
+    1SOL     H6    6   0.099485  -0.120587   0.231423
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020177  -0.144501   0.203818
+    0SOL     H2    2  -0.013694  -0.229130   0.233026
+    0SOL     H3    3   0.082965  -0.119138   0.271469
+    1SOL     O4    4  -0.018338   0.147830  -0.203198
+    1SOL     H5    5  -0.004501   0.208525  -0.275909
+    1SOL     H6    6  -0.088897   0.090406  -0.232967
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024881   0.184149   0.184495
+    0SOL     H2    2  -0.026053   0.212950   0.108742
+    0SOL     H3    3   0.002238   0.246306   0.253676
+    1SOL     O4    4  -0.017527  -0.194822  -0.186134
+    1SOL     H5    5  -0.019970  -0.109847  -0.230130
+    1SOL     H6    6  -0.071190  -0.182831  -0.107783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035414  -0.169463  -0.200021
+    0SOL     H2    2   0.029015  -0.238049  -0.217552
+    0SOL     H3    3  -0.119969  -0.211181  -0.216526
+    1SOL     O4    4   0.037672   0.182015   0.204029
+    1SOL     H5    5   0.073284   0.101933   0.242513
+    1SOL     H6    6  -0.012893   0.151932   0.128527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.144575   0.200755  -0.207561
+    0SOL     H2    2  -0.063188   0.153441  -0.224877
+    0SOL     H3    3  -0.212613   0.147211  -0.248380
+    1SOL     O4    4   0.143411  -0.196258   0.217115
+    1SOL     H5    5   0.114460  -0.258879   0.150762
+    1SOL     H6    6   0.179903  -0.123332   0.166990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104055  -0.186354   0.262027
+    0SOL     H2    2  -0.034691  -0.233616   0.216014
+    0SOL     H3    3  -0.180064  -0.244307   0.256893
+    1SOL     O4    4   0.105927   0.197953  -0.261099
+    1SOL     H5    5   0.027371   0.149158  -0.285806
+    1SOL     H6    6   0.156838   0.136377  -0.208386
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.098739   0.223841  -0.294716
+    0SOL     H2    2   0.105635   0.194095  -0.385434
+    0SOL     H3    3   0.175862   0.279003  -0.281618
+    1SOL     O4    4  -0.105108  -0.231545   0.299956
+    1SOL     H5    5  -0.067154  -0.169463   0.362146
+    1SOL     H6    6  -0.111685  -0.182467   0.218039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.184362   0.096564  -0.341259
+    0SOL     H2    2  -0.175633   0.001440  -0.347376
+    0SOL     H3    3  -0.113805   0.123403  -0.282406
+    1SOL     O4    4   0.181223  -0.098813   0.335312
+    1SOL     H5    5   0.237680  -0.041460   0.387133
+    1SOL     H6    6   0.098104  -0.051710   0.329406
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100192   0.384520   0.032457
+    0SOL     H2    2  -0.134297   0.372713  -0.056198
+    0SOL     H3    3  -0.014121   0.424486   0.019934
+    1SOL     O4    4   0.096383  -0.379885  -0.026142
+    1SOL     H5    5   0.059049  -0.435811  -0.094266
+    1SOL     H6    6   0.143272  -0.440270   0.031454
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061505  -0.298810   0.273539
+    0SOL     H2    2  -0.134213  -0.343592   0.230291
+    0SOL     H3    3   0.011720  -0.307450   0.212500
+    1SOL     O4    4   0.059632   0.307068  -0.271246
+    1SOL     H5    5   0.092196   0.303719  -0.181298
+    1SOL     H6    6   0.055476   0.215462  -0.298691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065045   0.426656  -0.091579
+    0SOL     H2    2   0.135824   0.455890  -0.149007
+    0SOL     H3    3   0.004000   0.500349  -0.089302
+    1SOL     O4    4  -0.064672  -0.434760   0.100774
+    1SOL     H5    5  -0.001405  -0.392976   0.042347
+    1SOL     H6    6  -0.147096  -0.432940   0.052140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149776   0.215216   0.416414
+    0SOL     H2    2   0.112629   0.210282   0.328334
+    0SOL     H3    3   0.093442   0.158824   0.469412
+    1SOL     O4    4  -0.146267  -0.213013  -0.421642
+    1SOL     H5    5  -0.078733  -0.160744  -0.378407
+    1SOL     H6    6  -0.196234  -0.251819  -0.349810
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.354059   0.194588   0.301322
+    0SOL     H2    2  -0.289194   0.196375   0.371690
+    0SOL     H3    3  -0.431282   0.154172   0.340887
+    1SOL     O4    4   0.354020  -0.194120  -0.301196
+    1SOL     H5    5   0.379109  -0.108134  -0.334949
+    1SOL     H6    6   0.342645  -0.248197  -0.379354
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012332  -0.499334  -0.303699
+    0SOL     H2    2   0.023638  -0.594254  -0.308665
+    0SOL     H3    3   0.096377  -0.466810  -0.271435
+    1SOL     O4    4  -0.022377   0.498552   0.302651
+    1SOL     H5    5   0.068035   0.479250   0.327459
+    1SOL     H6    6  -0.019856   0.588915   0.271179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/320K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.908233   0.695259  -0.126735
+    0SOL     H2    2   0.915321   0.783008  -0.089156
+    0SOL     H3    3   0.828346   0.659098  -0.088357
+    1SOL     O4    4  -0.902431  -0.696554   0.128781
+    1SOL     H5    5  -0.841801  -0.709064   0.055776
+    1SOL     H6    6  -0.989160  -0.709698   0.090470
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043844  -0.107520   0.062896
+    0SOL     H2    2   0.018481  -0.020897   0.031029
+    0SOL     H3    3   0.107619  -0.089917   0.132071
+    1SOL     O4    4  -0.040385   0.097219  -0.065390
+    1SOL     H5    5  -0.044610   0.177033  -0.012719
+    1SOL     H6    6  -0.126391   0.091341  -0.106994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054426   0.102295   0.061961
+    0SOL     H2    2   0.031166   0.013134   0.036047
+    0SOL     H3    3   0.141411   0.094009   0.101041
+    1SOL     O4    4  -0.057741  -0.092671  -0.057601
+    1SOL     H5    5  -0.054867  -0.062721  -0.148470
+    1SOL     H6    6  -0.070215  -0.187364  -0.063926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007458   0.007848  -0.125150
+    0SOL     H2    2   0.050241  -0.062460  -0.174024
+    0SOL     H3    3   0.071958   0.078552  -0.123399
+    1SOL     O4    4  -0.009564  -0.011254   0.129431
+    1SOL     H5    5  -0.031544   0.018543   0.041163
+    1SOL     H6    6  -0.076117   0.028626   0.185491
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041639   0.115328  -0.014127
+    0SOL     H2    2   0.009029   0.161967  -0.091092
+    0SOL     H3    3   0.101651   0.177063   0.027703
+    1SOL     O4    4  -0.045483  -0.123721   0.021812
+    1SOL     H5    5  -0.030894  -0.167835  -0.061875
+    1SOL     H6    6  -0.019004  -0.033087   0.006101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026691  -0.033635   0.117029
+    0SOL     H2    2  -0.095713  -0.082338   0.162044
+    0SOL     H3    3   0.054793  -0.072137   0.149283
+    1SOL     O4    4   0.026668   0.035950  -0.127985
+    1SOL     H5    5   0.023825  -0.007248  -0.042614
+    1SOL     H6    6   0.019974   0.129296  -0.107883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040106   0.104866  -0.074637
+    0SOL     H2    2   0.134544   0.119534  -0.079986
+    0SOL     H3    3   0.029830   0.039718  -0.005265
+    1SOL     O4    4  -0.048362  -0.097136   0.074049
+    1SOL     H5    5  -0.075875  -0.140509  -0.006723
+    1SOL     H6    6   0.035669  -0.137594   0.095592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064689  -0.063824   0.090603
+    0SOL     H2    2  -0.018947  -0.119508   0.153605
+    0SOL     H3    3  -0.117464  -0.124571   0.038768
+    1SOL     O4    4   0.062294   0.076810  -0.092815
+    1SOL     H5    5   0.136886   0.035581  -0.136387
+    1SOL     H6    6   0.037249   0.014821  -0.024313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003318  -0.081150   0.100630
+    0SOL     H2    2   0.087306  -0.124533   0.085586
+    0SOL     H3    3  -0.008672  -0.084324   0.195543
+    1SOL     O4    4  -0.011224   0.087650  -0.108228
+    1SOL     H5    5  -0.034319   0.033263  -0.032922
+    1SOL     H6    6   0.082042   0.071142  -0.122053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037055  -0.102224  -0.079733
+    0SOL     H2    2  -0.025081  -0.072835  -0.170039
+    0SOL     H3    3   0.050424  -0.128736  -0.051324
+    1SOL     O4    4   0.036132   0.106701   0.084351
+    1SOL     H5    5  -0.028412   0.078877   0.149329
+    1SOL     H6    6   0.013945   0.056940   0.005650
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056314   0.081857  -0.083894
+    0SOL     H2    2   0.111243   0.032913  -0.145127
+    0SOL     H3    3   0.040203   0.165453  -0.127650
+    1SOL     O4    4  -0.058769  -0.084842   0.096388
+    1SOL     H5    5  -0.003088  -0.024037   0.047760
+    1SOL     H6    6  -0.108176  -0.131364   0.028882
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002763   0.130675  -0.007511
+    0SOL     H2    2   0.062312   0.198823   0.023666
+    0SOL     H3    3   0.006861   0.137039  -0.102931
+    1SOL     O4    4  -0.007054  -0.140130   0.005952
+    1SOL     H5    5   0.021629  -0.048843   0.003433
+    1SOL     H6    6  -0.030862  -0.155290   0.097416
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092391  -0.033141   0.087317
+    0SOL     H2    2   0.167591  -0.060284   0.034682
+    0SOL     H3    3   0.103466  -0.079160   0.170515
+    1SOL     O4    4  -0.095130   0.040483  -0.093749
+    1SOL     H5    5  -0.177471  -0.006501  -0.080524
+    1SOL     H6    6  -0.043952   0.021841  -0.015037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028876  -0.010718   0.137526
+    0SOL     H2    2   0.019739   0.078242   0.171658
+    0SOL     H3    3   0.021329  -0.000898   0.042611
+    1SOL     O4    4  -0.027568   0.010279  -0.130540
+    1SOL     H5    5   0.035993  -0.012462  -0.198401
+    1SOL     H6    6  -0.092327  -0.060135  -0.133748
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098136  -0.104339   0.009312
+    0SOL     H2    2  -0.022699  -0.046740  -0.003096
+    0SOL     H3    3  -0.171726  -0.044789   0.023473
+    1SOL     O4    4   0.097668   0.090712  -0.011936
+    1SOL     H5    5   0.099711   0.119218   0.079418
+    1SOL     H6    6   0.109344   0.171176  -0.062450
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023798   0.116451  -0.061869
+    0SOL     H2    2   0.112363   0.143491  -0.086106
+    0SOL     H3    3  -0.005032   0.182444   0.001187
+    1SOL     O4    4  -0.023107  -0.127633   0.058960
+    1SOL     H5    5  -0.018217  -0.044307   0.012107
+    1SOL     H6    6  -0.098304  -0.117936   0.117387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021198   0.105782  -0.094962
+    0SOL     H2    2  -0.069376   0.103182  -0.125815
+    0SOL     H3    3   0.019750   0.057702  -0.012206
+    1SOL     O4    4  -0.012518  -0.097218   0.090728
+    1SOL     H5    5  -0.107294  -0.110590   0.091759
+    1SOL     H6    6   0.024009  -0.182496   0.114304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026059   0.129146  -0.027797
+    0SOL     H2    2   0.067719   0.139528  -0.113348
+    0SOL     H3    3  -0.034561   0.202956  -0.021509
+    1SOL     O4    4  -0.028606  -0.135116   0.038047
+    1SOL     H5    5   0.009130  -0.200370  -0.020948
+    1SOL     H6    6  -0.000977  -0.051015   0.001633
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022619  -0.014677  -0.133903
+    0SOL     H2    2  -0.069974  -0.097619  -0.127535
+    0SOL     H3    3   0.041576  -0.028972  -0.203451
+    1SOL     O4    4   0.026704   0.015714   0.136030
+    1SOL     H5    5  -0.042648   0.046487   0.077672
+    1SOL     H6    6   0.011208   0.062142   0.218290
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033451   0.122283  -0.075305
+    0SOL     H2    2  -0.035431   0.040400  -0.124840
+    0SOL     H3    3   0.028215   0.105708  -0.003997
+    1SOL     O4    4   0.026552  -0.112119   0.069658
+    1SOL     H5    5  -0.009539  -0.167916   0.138552
+    1SOL     H6    6   0.121308  -0.123838   0.076463
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062458  -0.099926   0.083339
+    0SOL     H2    2  -0.103421  -0.063422   0.161772
+    0SOL     H3    3  -0.011982  -0.027350   0.046635
+    1SOL     O4    4   0.059431   0.097141  -0.079941
+    1SOL     H5    5   0.017190   0.084009  -0.164827
+    1SOL     H6    6   0.144795   0.054753  -0.088800
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054029  -0.084899   0.093116
+    0SOL     H2    2   0.123067  -0.046911   0.147457
+    0SOL     H3    3   0.001880  -0.137422   0.153813
+    1SOL     O4    4  -0.059038   0.090872  -0.099708
+    1SOL     H5    5  -0.045161   0.030391  -0.026826
+    1SOL     H6    6  -0.002549   0.057709  -0.169504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088639   0.004894  -0.111917
+    0SOL     H2    2  -0.048280   0.086279  -0.142080
+    0SOL     H3    3  -0.150168   0.032375  -0.043936
+    1SOL     O4    4   0.091512  -0.017772   0.113250
+    1SOL     H5    5   0.065614  -0.008039   0.021616
+    1SOL     H6    6   0.095725   0.071834   0.146647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073362  -0.003642   0.119852
+    0SOL     H2    2   0.152903  -0.049447   0.092696
+    0SOL     H3    3   0.032976  -0.061807   0.184258
+    1SOL     O4    4  -0.078209   0.004695  -0.125737
+    1SOL     H5    5  -0.024971  -0.007487  -0.047126
+    1SOL     H6    6  -0.085329   0.099657  -0.135421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047317   0.112479   0.074348
+    0SOL     H2    2   0.047356   0.061187   0.155166
+    0SOL     H3    3  -0.031133   0.166972   0.080547
+    1SOL     O4    4  -0.048561  -0.114604  -0.082994
+    1SOL     H5    5   0.035353  -0.160564  -0.080096
+    1SOL     H6    6  -0.035485  -0.037287  -0.028100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121414  -0.049243  -0.051948
+    0SOL     H2    2   0.189829   0.004132  -0.011540
+    0SOL     H3    3   0.125574  -0.027171  -0.144996
+    1SOL     O4    4  -0.131406   0.045284   0.051960
+    1SOL     H5    5  -0.117369   0.053866   0.146256
+    1SOL     H6    6  -0.043948   0.030666   0.015910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.087750   0.099425   0.071617
+    0SOL     H2    2   0.139021   0.059052   0.001590
+    0SOL     H3    3  -0.000192   0.063170   0.060935
+    1SOL     O4    4  -0.091250  -0.092663  -0.063731
+    1SOL     H5    5  -0.025205  -0.153391  -0.030375
+    1SOL     H6    6  -0.062382  -0.072305  -0.152694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066588  -0.029493  -0.117893
+    0SOL     H2    2  -0.016500  -0.044587  -0.198053
+    0SOL     H3    3  -0.143559  -0.085701  -0.126747
+    1SOL     O4    4   0.075537   0.032858   0.125373
+    1SOL     H5    5   0.027363   0.005621   0.047273
+    1SOL     H6    6   0.010892   0.079441   0.178415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133188   0.027339   0.069759
+    0SOL     H2    2  -0.107506  -0.026896  -0.004815
+    0SOL     H3    3  -0.050725   0.048747   0.113393
+    1SOL     O4    4   0.129275  -0.022682  -0.062602
+    1SOL     H5    5   0.100115   0.023168  -0.141404
+    1SOL     H6    6   0.112735  -0.115125  -0.081118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026856   0.034286   0.135012
+    0SOL     H2    2  -0.039985   0.057766   0.199380
+    0SOL     H3    3   0.067843  -0.044537   0.170639
+    1SOL     O4    4  -0.026438  -0.027895  -0.146225
+    1SOL     H5    5  -0.011927  -0.122212  -0.138738
+    1SOL     H6    6  -0.024099   0.003983  -0.055999
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058546   0.020102  -0.127050
+    0SOL     H2    2  -0.076943   0.088724  -0.191197
+    0SOL     H3    3   0.008647  -0.034060  -0.168451
+    1SOL     O4    4   0.058538  -0.017892   0.138893
+    1SOL     H5    5   0.032403  -0.109678   0.131503
+    1SOL     H6    6   0.032618   0.021232   0.055468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008056   0.052507   0.140040
+    0SOL     H2    2  -0.008899   0.020707   0.051363
+    0SOL     H3    3  -0.077460   0.081326   0.171961
+    1SOL     O4    4   0.001851  -0.048185  -0.132275
+    1SOL     H5    5   0.034474  -0.130485  -0.168675
+    1SOL     H6    6  -0.086083  -0.038915  -0.168937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006987  -0.104575  -0.094161
+    0SOL     H2    2  -0.016708  -0.189778  -0.057537
+    0SOL     H3    3  -0.022004  -0.108722  -0.185290
+    1SOL     O4    4  -0.008924   0.107908   0.101783
+    1SOL     H5    5   0.040334   0.189978   0.102474
+    1SOL     H6    6   0.027856   0.058459   0.028541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036724   0.117888  -0.092781
+    0SOL     H2    2   0.042784   0.070432  -0.009874
+    0SOL     H3    3   0.029384   0.049343  -0.159188
+    1SOL     O4    4  -0.030509  -0.109952   0.092595
+    1SOL     H5    5  -0.077369  -0.168533   0.033142
+    1SOL     H6    6  -0.099559  -0.063494   0.139882
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023209  -0.139562  -0.049874
+    0SOL     H2    2   0.035648  -0.046220  -0.067044
+    0SOL     H3    3  -0.004429  -0.175960  -0.133979
+    1SOL     O4    4  -0.017330   0.133144   0.052430
+    1SOL     H5    5  -0.022180   0.224710   0.079899
+    1SOL     H6    6  -0.100971   0.095439   0.079722
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067685   0.125514  -0.015461
+    0SOL     H2    2   0.128801   0.190340  -0.050458
+    0SOL     H3    3   0.018291   0.172805   0.051518
+    1SOL     O4    4  -0.070713  -0.136489   0.009566
+    1SOL     H5    5  -0.020998  -0.057722  -0.012489
+    1SOL     H6    6  -0.077928  -0.134379   0.104991
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060193  -0.026810   0.139549
+    0SOL     H2    2  -0.127637  -0.087009   0.108090
+    0SOL     H3    3  -0.006341  -0.008722   0.062509
+    1SOL     O4    4   0.056789   0.024505  -0.136556
+    1SOL     H5    5   0.151384   0.018506  -0.123212
+    1SOL     H6    6   0.031759   0.106679  -0.094329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047271   0.082264   0.116246
+    0SOL     H2    2   0.133594   0.103516   0.080763
+    0SOL     H3    3  -0.013248   0.137645   0.066924
+    1SOL     O4    4  -0.052114  -0.092484  -0.112182
+    1SOL     H5    5  -0.052333  -0.017235  -0.171340
+    1SOL     H6    6   0.001087  -0.064341  -0.037750
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035042   0.039811   0.138074
+    0SOL     H2    2  -0.045829  -0.053472   0.156629
+    0SOL     H3    3  -0.123608   0.075732   0.143371
+    1SOL     O4    4   0.044156  -0.041979  -0.141162
+    1SOL     H5    5   0.052265   0.010860  -0.061760
+    1SOL     H6    6  -0.027964  -0.001707  -0.189527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009278  -0.067991  -0.128340
+    0SOL     H2    2   0.021191  -0.104391  -0.211460
+    0SOL     H3    3  -0.064907   0.005765  -0.153394
+    1SOL     O4    4   0.010676   0.072104   0.136785
+    1SOL     H5    5  -0.003722  -0.008979   0.185576
+    1SOL     H6    6   0.026172   0.043511   0.046759
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015832  -0.133438  -0.056135
+    0SOL     H2    2   0.073672  -0.175277  -0.119904
+    0SOL     H3    3  -0.068568  -0.176979  -0.068097
+    1SOL     O4    4  -0.019097   0.141199   0.056854
+    1SOL     H5    5   0.016774   0.158779   0.143840
+    1SOL     H6    6   0.029018   0.064365   0.026132
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033674   0.118673   0.095475
+    0SOL     H2    2   0.007024   0.044076   0.051416
+    0SOL     H3    3  -0.028667   0.097187   0.188618
+    1SOL     O4    4   0.031563  -0.117658  -0.093394
+    1SOL     H5    5  -0.045865  -0.104195  -0.148037
+    1SOL     H6    6   0.092995  -0.049938  -0.121718
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041712  -0.136019  -0.040974
+    0SOL     H2    2  -0.023750  -0.186456   0.007328
+    0SOL     H3    3   0.069990  -0.194502  -0.111277
+    1SOL     O4    4  -0.039793   0.146533   0.048182
+    1SOL     H5    5   0.024143   0.078637   0.026627
+    1SOL     H6    6  -0.101221   0.145824  -0.025224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003602   0.063751  -0.133730
+    0SOL     H2    2  -0.033799   0.130596  -0.195229
+    0SOL     H3    3   0.080037   0.034131  -0.169639
+    1SOL     O4    4  -0.004688  -0.067894   0.143247
+    1SOL     H5    5   0.089313  -0.070596   0.161098
+    1SOL     H6    6  -0.011315  -0.031492   0.054967
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.143110  -0.061031  -0.044548
+    0SOL     H2    2   0.071413  -0.011803  -0.004567
+    0SOL     H3    3   0.100390  -0.135415  -0.087026
+    1SOL     O4    4  -0.135794   0.069295   0.044672
+    1SOL     H5    5  -0.125420   0.009277   0.118513
+    1SOL     H6    6  -0.168791   0.014375  -0.026442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.130275  -0.054629   0.083473
+    0SOL     H2    2   0.073550  -0.011559   0.019523
+    0SOL     H3    3   0.120618  -0.002423   0.163120
+    1SOL     O4    4  -0.120229   0.046922  -0.084217
+    1SOL     H5    5  -0.197243  -0.002552  -0.056228
+    1SOL     H6    6  -0.154881   0.131898  -0.111432
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001533   0.060357  -0.152519
+    0SOL     H2    2  -0.020683   0.012423  -0.072700
+    0SOL     H3    3  -0.037474   0.008808  -0.223112
+    1SOL     O4    4  -0.002863  -0.058273   0.147761
+    1SOL     H5    5  -0.020565   0.006415   0.216058
+    1SOL     H6    6   0.092137  -0.069830   0.149696
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017805   0.124024   0.101572
+    0SOL     H2    2  -0.034523   0.175232   0.180696
+    0SOL     H3    3  -0.046192   0.035381   0.123911
+    1SOL     O4    4   0.022191  -0.125201  -0.101634
+    1SOL     H5    5  -0.065421  -0.101141  -0.131761
+    1SOL     H6    6   0.080829  -0.092704  -0.169955
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003664   0.133024  -0.098322
+    0SOL     H2    2   0.020671   0.135417  -0.190866
+    0SOL     H3    3  -0.001910   0.040095  -0.075442
+    1SOL     O4    4   0.005062  -0.120991   0.103142
+    1SOL     H5    5   0.045165  -0.204408   0.127546
+    1SOL     H6    6  -0.080557  -0.144983   0.067699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059411   0.140302  -0.060371
+    0SOL     H2    2  -0.127763   0.106483  -0.002522
+    0SOL     H3    3  -0.107135   0.180946  -0.132709
+    1SOL     O4    4   0.067123  -0.146973   0.062657
+    1SOL     H5    5  -0.010404  -0.091673   0.052969
+    1SOL     H6    6   0.140866  -0.087610   0.048504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112968  -0.067645  -0.106195
+    0SOL     H2    2  -0.036607  -0.085715  -0.161010
+    0SOL     H3    3  -0.114106  -0.138964  -0.042362
+    1SOL     O4    4   0.113768   0.068912   0.106221
+    1SOL     H5    5   0.099914   0.159019   0.135397
+    1SOL     H6    6   0.031866   0.044847   0.062917
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060929  -0.083165   0.133454
+    0SOL     H2    2   0.136211  -0.096829   0.190972
+    0SOL     H3    3   0.028587  -0.171325   0.114904
+    1SOL     O4    4  -0.067663   0.093583  -0.133466
+    1SOL     H5    5  -0.061951   0.052988  -0.219963
+    1SOL     H6    6   0.001506   0.051358  -0.082523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130705  -0.107145   0.040124
+    0SOL     H2    2  -0.042098  -0.105160   0.076278
+    0SOL     H3    3  -0.148657  -0.200051   0.025684
+    1SOL     O4    4   0.126241   0.110910  -0.047962
+    1SOL     H5    5   0.077976   0.177739   0.000686
+    1SOL     H6    6   0.180322   0.067544   0.018045
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023568   0.086925  -0.157743
+    0SOL     H2    2  -0.046675   0.034314  -0.119530
+    0SOL     H3    3   0.086273   0.098697  -0.086386
+    1SOL     O4    4  -0.018297  -0.085382   0.147276
+    1SOL     H5    5  -0.045164  -0.008264   0.197208
+    1SOL     H6    6  -0.078445  -0.154331   0.175396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.144620   0.031128   0.101184
+    0SOL     H2    2  -0.107079  -0.047281   0.141248
+    0SOL     H3    3  -0.073560   0.095240   0.102736
+    1SOL     O4    4   0.139825  -0.031397  -0.109810
+    1SOL     H5    5   0.138951  -0.093137  -0.036668
+    1SOL     H6    6   0.118032   0.052994  -0.070242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.150397   0.019577   0.087459
+    0SOL     H2    2  -0.239106   0.022524   0.123298
+    0SOL     H3    3  -0.125110   0.111450   0.078399
+    1SOL     O4    4   0.151625  -0.030098  -0.092000
+    1SOL     H5    5   0.242880  -0.001209  -0.092451
+    1SOL     H6    6   0.106311   0.034373  -0.037663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061567  -0.162490   0.062367
+    0SOL     H2    2  -0.115757  -0.202273  -0.005773
+    0SOL     H3    3  -0.049828  -0.071877   0.033839
+    1SOL     O4    4   0.061505   0.157426  -0.050564
+    1SOL     H5    5   0.059118   0.109334  -0.133292
+    1SOL     H6    6   0.104369   0.240239  -0.072175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118434  -0.122031  -0.051980
+    0SOL     H2    2   0.202474  -0.077395  -0.041626
+    0SOL     H3    3   0.124134  -0.164357  -0.137644
+    1SOL     O4    4  -0.120050   0.117650   0.052097
+    1SOL     H5    5  -0.189739   0.178605   0.027804
+    1SOL     H6    6  -0.105848   0.133401   0.145438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014340   0.150038  -0.114713
+    0SOL     H2    2   0.055361   0.141920  -0.028611
+    0SOL     H3    3  -0.064292   0.095749  -0.109049
+    1SOL     O4    4  -0.009217  -0.139590   0.109528
+    1SOL     H5    5   0.028858  -0.223279   0.136152
+    1SOL     H6    6  -0.097496  -0.161735   0.079884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042105  -0.178752   0.010686
+    0SOL     H2    2   0.018137  -0.136288  -0.071683
+    0SOL     H3    3   0.134703  -0.200676   0.000327
+    1SOL     O4    4  -0.047960   0.176111   0.001227
+    1SOL     H5    5   0.040482   0.172034  -0.035156
+    1SOL     H6    6  -0.102875   0.203581  -0.072204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051480  -0.129458  -0.110379
+    0SOL     H2    2  -0.009610  -0.214744  -0.122020
+    0SOL     H3    3  -0.103471  -0.117206  -0.189809
+    1SOL     O4    4   0.050084   0.131165   0.121374
+    1SOL     H5    5   0.119019   0.097417   0.064178
+    1SOL     H6    6   0.015085   0.206997   0.074611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108267  -0.063829  -0.140597
+    0SOL     H2    2   0.102212   0.000229  -0.211465
+    0SOL     H3    3   0.105580  -0.011398  -0.060559
+    1SOL     O4    4  -0.105178   0.052464   0.145178
+    1SOL     H5    5  -0.139377   0.027304   0.059389
+    1SOL     H6    6  -0.113488   0.147799   0.147309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005787  -0.129997  -0.136805
+    0SOL     H2    2   0.059012  -0.063061  -0.114828
+    0SOL     H3    3  -0.024280  -0.115926  -0.229661
+    1SOL     O4    4   0.001715   0.128043   0.146973
+    1SOL     H5    5   0.072737   0.068565   0.122879
+    1SOL     H6    6  -0.045801   0.143034   0.065242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008430   0.164787  -0.112447
+    0SOL     H2    2  -0.047995   0.092827  -0.084159
+    0SOL     H3    3   0.077830   0.168172  -0.046611
+    1SOL     O4    4  -0.009684  -0.162841   0.100712
+    1SOL     H5    5  -0.063157  -0.095248   0.142355
+    1SOL     H6    6   0.048293  -0.193826   0.170289
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137547  -0.022469   0.143492
+    0SOL     H2    2  -0.166579  -0.051286   0.056953
+    0SOL     H3    3  -0.137321   0.073101   0.138137
+    1SOL     O4    4   0.134147   0.022801  -0.138102
+    1SOL     H5    5   0.127944  -0.069714  -0.114336
+    1SOL     H6    6   0.226946   0.036518  -0.157143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065293   0.022195  -0.182198
+    0SOL     H2    2  -0.096729   0.016852  -0.272451
+    0SOL     H3    3  -0.012927  -0.057041  -0.170294
+    1SOL     O4    4   0.069114  -0.013103   0.183984
+    1SOL     H5    5  -0.021321  -0.021187   0.153677
+    1SOL     H6    6   0.074225  -0.071066   0.259987
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076301  -0.005479   0.182121
+    0SOL     H2    2   0.015992   0.012931   0.164648
+    0SOL     H3    3  -0.077446  -0.039670   0.271519
+    1SOL     O4    4   0.076489   0.003652  -0.183253
+    1SOL     H5    5  -0.008239   0.028080  -0.146012
+    1SOL     H6    6   0.069598   0.026886  -0.275854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034627  -0.196354   0.042810
+    0SOL     H2    2  -0.009246  -0.188091   0.134733
+    0SOL     H3    3   0.045153  -0.176061  -0.006033
+    1SOL     O4    4   0.024565   0.194770  -0.040127
+    1SOL     H5    5   0.063179   0.118725  -0.083584
+    1SOL     H6    6   0.064216   0.270111  -0.083874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012675   0.125791  -0.162961
+    0SOL     H2    2   0.008056   0.202908  -0.106445
+    0SOL     H3    3   0.056400   0.059478  -0.109548
+    1SOL     O4    4  -0.012735  -0.120934   0.155050
+    1SOL     H5    5  -0.094143  -0.168522   0.138607
+    1SOL     H6    6   0.035692  -0.176580   0.216047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091738  -0.045406   0.193842
+    0SOL     H2    2  -0.113025   0.047564   0.185732
+    0SOL     H3    3  -0.010173  -0.055716   0.144820
+    1SOL     O4    4   0.086420   0.034481  -0.192210
+    1SOL     H5    5   0.038152   0.116569  -0.182504
+    1SOL     H6    6   0.177263   0.057626  -0.172868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054747   0.147666  -0.154519
+    0SOL     H2    2   0.147337   0.163856  -0.136429
+    0SOL     H3    3   0.039992   0.057671  -0.125441
+    1SOL     O4    4  -0.057486  -0.145654   0.158355
+    1SOL     H5    5  -0.138106  -0.104546   0.127163
+    1SOL     H6    6  -0.002008  -0.151741   0.080589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038230  -0.216948   0.066241
+    0SOL     H2    2  -0.027232  -0.283035  -0.002125
+    0SOL     H3    3   0.043420  -0.167015   0.064709
+    1SOL     O4    4   0.033872   0.212357  -0.059114
+    1SOL     H5    5   0.003655   0.295007  -0.021454
+    1SOL     H6    6   0.048526   0.232075  -0.151628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115622   0.094672   0.176623
+    0SOL     H2    2  -0.142126   0.179944   0.142150
+    0SOL     H3    3  -0.186827   0.035639   0.151982
+    1SOL     O4    4   0.114347  -0.097895  -0.173651
+    1SOL     H5    5   0.189756  -0.149617  -0.201947
+    1SOL     H6    6   0.152290  -0.017208  -0.138835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062609  -0.012979  -0.252458
+    0SOL     H2    2   0.030259  -0.018778  -0.230004
+    0SOL     H3    3  -0.107904  -0.015904  -0.168184
+    1SOL     O4    4   0.055441   0.012526   0.241567
+    1SOL     H5    5   0.134229   0.066739   0.237606
+    1SOL     H6    6   0.056886  -0.025532   0.329384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108560  -0.217631  -0.110899
+    0SOL     H2    2  -0.045401  -0.236670  -0.041540
+    0SOL     H3    3  -0.127969  -0.124448  -0.100766
+    1SOL     O4    4   0.103265   0.210187   0.100671
+    1SOL     H5    5   0.191565   0.245538   0.111436
+    1SOL     H6    6   0.062314   0.221369   0.186464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019142   0.199860  -0.165017
+    0SOL     H2    2  -0.027086   0.251468  -0.245240
+    0SOL     H3    3  -0.048746   0.112271  -0.189797
+    1SOL     O4    4   0.020772  -0.201220   0.177241
+    1SOL     H5    5   0.027014  -0.237893   0.089045
+    1SOL     H6    6   0.022771  -0.106439   0.164017
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075462   0.153844  -0.210074
+    0SOL     H2    2   0.042467   0.068067  -0.183317
+    0SOL     H3    3   0.142724   0.174950  -0.145323
+    1SOL     O4    4  -0.079143  -0.143584   0.204990
+    1SOL     H5    5  -0.017524  -0.187998   0.263237
+    1SOL     H6    6  -0.108785  -0.211882   0.144831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075042   0.239189  -0.084493
+    0SOL     H2    2  -0.107447   0.316413  -0.038138
+    0SOL     H3    3  -0.038112   0.273726  -0.165768
+    1SOL     O4    4   0.068512  -0.246915   0.089146
+    1SOL     H5    5   0.151294  -0.233288   0.135230
+    1SOL     H6    6   0.090299  -0.235152  -0.003316
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012129   0.014482  -0.294460
+    0SOL     H2    2   0.007737   0.028624  -0.201899
+    0SOL     H3    3  -0.099766  -0.024015  -0.294587
+    1SOL     O4    4   0.019256  -0.008292   0.292053
+    1SOL     H5    5   0.032979  -0.038240   0.202181
+    1SOL     H6    6  -0.051495  -0.063573   0.325231
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016810   0.274103   0.087057
+    0SOL     H2    2   0.076203   0.321254   0.145464
+    0SOL     H3    3   0.061098   0.274710   0.002201
+    1SOL     O4    4  -0.023991  -0.273769  -0.080071
+    1SOL     H5    5   0.037897  -0.345254  -0.094971
+    1SOL     H6    6  -0.062704  -0.257232  -0.166038
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011856  -0.144404  -0.259952
+    0SOL     H2    2   0.067618  -0.186406  -0.227056
+    0SOL     H3    3  -0.049528  -0.101029  -0.183390
+    1SOL     O4    4   0.008349   0.145187   0.259711
+    1SOL     H5    5   0.086405   0.157487   0.205691
+    1SOL     H6    6  -0.059842   0.119171   0.197780
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062534  -0.156171   0.250177
+    0SOL     H2    2  -0.143906  -0.180046   0.205783
+    0SOL     H3    3   0.006662  -0.188303   0.192370
+    1SOL     O4    4   0.060983   0.164030  -0.240923
+    1SOL     H5    5   0.131469   0.102673  -0.220200
+    1SOL     H6    6   0.031186   0.137819  -0.328029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044435  -0.281962   0.066548
+    0SOL     H2    2   0.077562  -0.307647   0.152601
+    0SOL     H3    3   0.015546  -0.363961   0.026499
+    1SOL     O4    4  -0.041730   0.283464  -0.073073
+    1SOL     H5    5  -0.025982   0.296620   0.020422
+    1SOL     H6    6  -0.111883   0.344966  -0.094481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079346   0.288367   0.108024
+    0SOL     H2    2  -0.043205   0.319523   0.025046
+    0SOL     H3    3  -0.032742   0.206560   0.125290
+    1SOL     O4    4   0.072472  -0.289966  -0.108210
+    1SOL     H5    5   0.081010  -0.293092  -0.012923
+    1SOL     H6    6   0.103721  -0.202745  -0.132256
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040155  -0.237250   0.214269
+    0SOL     H2    2  -0.005186  -0.249750   0.302491
+    0SOL     H3    3  -0.032896  -0.323382   0.173149
+    1SOL     O4    4   0.043523   0.243137  -0.213642
+    1SOL     H5    5   0.002619   0.313623  -0.263849
+    1SOL     H6    6  -0.016854   0.169363  -0.222271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041631   0.109486   0.314241
+    0SOL     H2    2   0.131260   0.110646   0.347821
+    0SOL     H3    3  -0.008446   0.160716   0.377724
+    1SOL     O4    4  -0.047112  -0.112690  -0.326210
+    1SOL     H5    5  -0.089491  -0.117419  -0.240513
+    1SOL     H6    6   0.046381  -0.107044  -0.306470
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.087612  -0.219731  -0.273670
+    0SOL     H2    2   0.007934  -0.263322  -0.303897
+    0SOL     H3    3   0.065157  -0.126688  -0.272665
+    1SOL     O4    4  -0.077786   0.217964   0.280433
+    1SOL     H5    5  -0.079335   0.267636   0.198624
+    1SOL     H6    6  -0.146504   0.152173   0.269867
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141296   0.292358  -0.152145
+    0SOL     H2    2  -0.133168   0.346471  -0.073608
+    0SOL     H3    3  -0.235437   0.277916  -0.161700
+    1SOL     O4    4   0.142918  -0.290918   0.143728
+    1SOL     H5    5   0.129901  -0.383748   0.163104
+    1SOL     H6    6   0.215972  -0.264722   0.199757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130266   0.303844  -0.232393
+    0SOL     H2    2  -0.131892   0.348462  -0.147724
+    0SOL     H3    3  -0.182678   0.359588  -0.289907
+    1SOL     O4    4   0.134611  -0.311698   0.236529
+    1SOL     H5    5   0.050375  -0.280366   0.203591
+    1SOL     H6    6   0.193775  -0.304716   0.161607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012886  -0.411722   0.448414
+    0SOL     H2    2  -0.049997  -0.399874   0.519601
+    0SOL     H3    3   0.098135  -0.414253   0.491870
+    1SOL     O4    4  -0.011207   0.407063  -0.459450
+    1SOL     H5    5  -0.034671   0.386775  -0.368895
+    1SOL     H6    6  -0.039082   0.497810  -0.471710
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/330K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.274987   0.531579   0.416573
+    0SOL     H2    2   0.214745   0.483969   0.473727
+    0SOL     H3    3   0.271973   0.483999   0.333570
+    1SOL     O4    4  -0.270243  -0.522733  -0.420815
+    1SOL     H5    5  -0.231583  -0.607155  -0.397561
+    1SOL     H6    6  -0.332424  -0.504586  -0.350342
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025612   0.125597  -0.014492
+    0SOL     H2    2   0.032519   0.105777  -0.087911
+    0SOL     H3    3  -0.015169   0.219686  -0.000335
+    1SOL     O4    4   0.025161  -0.133397   0.021680
+    1SOL     H5    5  -0.030028  -0.159461  -0.052057
+    1SOL     H6    6   0.013096  -0.038677   0.028383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058597  -0.004619   0.124252
+    0SOL     H2    2   0.015090  -0.018818   0.183673
+    0SOL     H3    3  -0.018016   0.010603   0.038907
+    1SOL     O4    4   0.050857   0.009013  -0.117859
+    1SOL     H5    5   0.113560  -0.063091  -0.123491
+    1SOL     H6    6  -0.001246   0.001810  -0.197832
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119972  -0.019135   0.066746
+    0SOL     H2    2  -0.085594   0.017269   0.148325
+    0SOL     H3    3  -0.046967  -0.013109   0.005133
+    1SOL     O4    4   0.110705   0.018512  -0.062359
+    1SOL     H5    5   0.082186   0.035685  -0.152103
+    1SOL     H6    6   0.188589  -0.036293  -0.072000
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098691   0.084190   0.007529
+    0SOL     H2    2  -0.091239   0.177187  -0.013882
+    0SOL     H3    3  -0.115920   0.082544   0.101671
+    1SOL     O4    4   0.100510  -0.096138  -0.013284
+    1SOL     H5    5   0.163310  -0.030669   0.017252
+    1SOL     H6    6   0.016723  -0.049901  -0.015327
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010662   0.120481   0.046593
+    0SOL     H2    2   0.023229   0.178219   0.121897
+    0SOL     H3    3  -0.004034   0.179888  -0.027009
+    1SOL     O4    4  -0.015835  -0.131393  -0.048507
+    1SOL     H5    5   0.076658  -0.155785  -0.052015
+    1SOL     H6    6  -0.015730  -0.041580  -0.015402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044055  -0.124192   0.010558
+    0SOL     H2    2   0.005146  -0.175239   0.081570
+    0SOL     H3    3   0.025389  -0.174888  -0.068460
+    1SOL     O4    4  -0.039777   0.136494  -0.009957
+    1SOL     H5    5  -0.124092   0.092492  -0.020779
+    1SOL     H6    6   0.022919   0.065353   0.003100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070287   0.084615  -0.074530
+    0SOL     H2    2   0.056026   0.066465  -0.167426
+    0SOL     H3    3   0.029783   0.170166  -0.060298
+    1SOL     O4    4  -0.070639  -0.088167   0.084677
+    1SOL     H5    5  -0.018499  -0.024113   0.036295
+    1SOL     H6    6  -0.058291  -0.170179   0.036887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017230   0.129859  -0.009845
+    0SOL     H2    2  -0.032693   0.162534   0.065004
+    0SOL     H3    3   0.073593   0.203057  -0.034897
+    1SOL     O4    4  -0.023328  -0.138105   0.008681
+    1SOL     H5    5   0.004155  -0.046620   0.002572
+    1SOL     H6    6   0.054842  -0.188246  -0.014510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072281  -0.120851  -0.008760
+    0SOL     H2    2   0.015420  -0.048105   0.016482
+    0SOL     H3    3   0.011997  -0.190885  -0.033728
+    1SOL     O4    4  -0.061995   0.121484   0.002536
+    1SOL     H5    5  -0.031674   0.134592   0.092375
+    1SOL     H6    6  -0.153084   0.093562   0.011783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.117107   0.071235   0.031284
+    0SOL     H2    2  -0.143158   0.146087  -0.022389
+    0SOL     H3    3  -0.041334   0.034363  -0.014117
+    1SOL     O4    4   0.110830  -0.068387  -0.023428
+    1SOL     H5    5   0.190688  -0.072000  -0.076076
+    1SOL     H6    6   0.092496  -0.159701  -0.001338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040028  -0.030372  -0.132698
+    0SOL     H2    2   0.001549  -0.038089  -0.045393
+    0SOL     H3    3   0.120124  -0.082602  -0.128324
+    1SOL     O4    4  -0.036809   0.033054   0.123339
+    1SOL     H5    5  -0.096228   0.108087   0.124661
+    1SOL     H6    6  -0.073876  -0.028037   0.187027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076629  -0.013130  -0.118932
+    0SOL     H2    2   0.126525   0.068230  -0.126237
+    0SOL     H3    3   0.026089  -0.003126  -0.038260
+    1SOL     O4    4  -0.070964   0.008852   0.111093
+    1SOL     H5    5  -0.157302   0.049426   0.103230
+    1SOL     H6    6  -0.080984  -0.055490   0.181249
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066770   0.013572   0.123470
+    0SOL     H2    2   0.113345  -0.063707   0.155424
+    0SOL     H3    3   0.039185  -0.009959   0.034882
+    1SOL     O4    4  -0.063446  -0.009195  -0.114945
+    1SOL     H5    5  -0.044801   0.040561  -0.194564
+    1SOL     H6    6  -0.156713  -0.029896  -0.120872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085802  -0.085087   0.054775
+    0SOL     H2    2  -0.150278  -0.061948   0.121630
+    0SOL     H3    3  -0.132478  -0.144435  -0.004060
+    1SOL     O4    4   0.094217   0.090245  -0.060443
+    1SOL     H5    5   0.135945   0.088805   0.025690
+    1SOL     H6    6   0.017580   0.033689  -0.050930
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053998   0.076969  -0.105987
+    0SOL     H2    2  -0.026646   0.014809  -0.038531
+    0SOL     H3    3  -0.133776   0.038932  -0.142743
+    1SOL     O4    4   0.059590  -0.072682   0.097698
+    1SOL     H5    5   0.102171  -0.019789   0.165163
+    1SOL     H6    6  -0.023673  -0.099046   0.136869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112773  -0.047404   0.053115
+    0SOL     H2    2   0.185518  -0.078059  -0.001021
+    0SOL     H3    3   0.099688  -0.117086   0.117423
+    1SOL     O4    4  -0.119099   0.050690  -0.059618
+    1SOL     H5    5  -0.039208   0.021220  -0.015899
+    1SOL     H6    6  -0.151178   0.122538  -0.005110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035439  -0.037733   0.122955
+    0SOL     H2    2  -0.013359   0.009946   0.202965
+    0SOL     H3    3  -0.030706  -0.130016   0.147931
+    1SOL     O4    4   0.037602   0.041413  -0.134192
+    1SOL     H5    5  -0.049140   0.076953  -0.114827
+    1SOL     H6    6   0.056666  -0.016779  -0.060622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137787   0.032504  -0.003776
+    0SOL     H2    2   0.192242   0.014426  -0.080393
+    0SOL     H3    3   0.051772  -0.002743  -0.026612
+    1SOL     O4    4  -0.133527  -0.026830   0.003109
+    1SOL     H5    5  -0.160984  -0.117361   0.017686
+    1SOL     H6    6  -0.146905   0.016200   0.087559
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040514   0.107894   0.072281
+    0SOL     H2    2  -0.028742   0.192106   0.028327
+    0SOL     H3    3  -0.135400   0.097880   0.079945
+    1SOL     O4    4   0.040006  -0.113739  -0.073736
+    1SOL     H5    5   0.125420  -0.156920  -0.075245
+    1SOL     H6    6   0.050610  -0.041738  -0.011562
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115629  -0.023653   0.068778
+    0SOL     H2    2  -0.167538   0.015213  -0.001630
+    0SOL     H3    3  -0.143691   0.022702   0.147683
+    1SOL     O4    4   0.125449   0.018367  -0.065048
+    1SOL     H5    5   0.125552   0.039280  -0.158456
+    1SOL     H6    6   0.033287   0.003521  -0.043881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006631   0.028087   0.130678
+    0SOL     H2    2  -0.022788   0.115557   0.156090
+    0SOL     H3    3   0.068906   0.002954   0.198887
+    1SOL     O4    4  -0.009066  -0.037088  -0.140572
+    1SOL     H5    5  -0.005475   0.056573  -0.159986
+    1SOL     H6    6  -0.003687  -0.042038  -0.045132
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062426   0.032863   0.125577
+    0SOL     H2    2   0.108594  -0.043687   0.159795
+    0SOL     H3    3   0.027501   0.004103   0.041224
+    1SOL     O4    4  -0.057879  -0.023724  -0.119209
+    1SOL     H5    5  -0.083196  -0.008948  -0.210331
+    1SOL     H6    6  -0.118723  -0.090681  -0.087952
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092161   0.086333  -0.048862
+    0SOL     H2    2   0.139909   0.073776  -0.130866
+    0SOL     H3    3   0.153148   0.134125   0.007342
+    1SOL     O4    4  -0.098041  -0.092319   0.055598
+    1SOL     H5    5  -0.029993  -0.033303   0.023213
+    1SOL     H6    6  -0.170677  -0.081146  -0.005733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018983   0.030069  -0.134106
+    0SOL     H2    2  -0.026836   0.104080  -0.173921
+    0SOL     H3    3   0.105411   0.064582  -0.111714
+    1SOL     O4    4  -0.022293  -0.038538   0.141354
+    1SOL     H5    5   0.051577  -0.063919   0.086024
+    1SOL     H6    6  -0.073445   0.021449   0.087063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070522  -0.089900  -0.092619
+    0SOL     H2    2   0.046171  -0.046297  -0.174277
+    0SOL     H3    3   0.021319  -0.043370  -0.024970
+    1SOL     O4    4  -0.062853   0.079216   0.095080
+    1SOL     H5    5  -0.035949   0.170986   0.099163
+    1SOL     H6    6  -0.150460   0.081580   0.056586
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018510   0.064689  -0.116792
+    0SOL     H2    2  -0.083390   0.075452  -0.186341
+    0SOL     H3    3   0.060903   0.105269  -0.151564
+    1SOL     O4    4   0.022840  -0.066129   0.127383
+    1SOL     H5    5  -0.000162  -0.034599   0.039981
+    1SOL     H6    6  -0.044527  -0.130922   0.148020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117398  -0.009566  -0.087236
+    0SOL     H2    2   0.146414  -0.099864  -0.100146
+    0SOL     H3    3   0.047288  -0.015928  -0.022379
+    1SOL     O4    4  -0.112829   0.009195   0.082395
+    1SOL     H5    5  -0.096677   0.050526   0.167208
+    1SOL     H6    6  -0.163282   0.074059   0.033309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065849   0.082924   0.102068
+    0SOL     H2    2   0.002433   0.092726   0.173093
+    0SOL     H3    3   0.032348   0.010013   0.049875
+    1SOL     O4    4  -0.058283  -0.079753  -0.096608
+    1SOL     H5    5  -0.063880  -0.149992  -0.161396
+    1SOL     H6    6  -0.083095  -0.000763  -0.144643
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079037   0.088833   0.089592
+    0SOL     H2    2   0.149736   0.025016   0.099152
+    0SOL     H3    3   0.009377   0.040931   0.044700
+    1SOL     O4    4  -0.083962  -0.078170  -0.083777
+    1SOL     H5    5  -0.015140  -0.046114  -0.142072
+    1SOL     H6    6  -0.074923  -0.173434  -0.086085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060376   0.067363  -0.110000
+    0SOL     H2    2   0.029702   0.097619  -0.121524
+    0SOL     H3    3  -0.109501   0.146327  -0.087334
+    1SOL     O4    4   0.060441  -0.079148   0.111378
+    1SOL     H5    5   0.075245   0.007456   0.149363
+    1SOL     H6    6   0.002381  -0.063119   0.036984
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019342   0.130282   0.064285
+    0SOL     H2    2  -0.034976   0.199853   0.027248
+    0SOL     H3    3   0.032397   0.068954  -0.008038
+    1SOL     O4    4  -0.020174  -0.128551  -0.063736
+    1SOL     H5    5   0.072805  -0.134548  -0.041795
+    1SOL     H6    6  -0.065412  -0.158809   0.015006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033791   0.119127  -0.060434
+    0SOL     H2    2   0.018428   0.185567  -0.105392
+    0SOL     H3    3  -0.115796   0.115678  -0.109684
+    1SOL     O4    4   0.033813  -0.126413   0.071247
+    1SOL     H5    5   0.108711  -0.136468   0.012498
+    1SOL     H6    6  -0.014528  -0.051723   0.035935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069701  -0.041336   0.114993
+    0SOL     H2    2   0.069461  -0.099253   0.191202
+    0SOL     H3    3   0.134178  -0.079945   0.055711
+    1SOL     O4    4  -0.079406   0.049202  -0.117856
+    1SOL     H5    5  -0.052536   0.017585  -0.031597
+    1SOL     H6    6  -0.000796   0.041251  -0.171889
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094897  -0.054062  -0.087440
+    0SOL     H2    2  -0.175644  -0.035986  -0.135560
+    0SOL     H3    3  -0.077515  -0.146777  -0.103698
+    1SOL     O4    4   0.103966   0.055851   0.093669
+    1SOL     H5    5   0.041066   0.019849   0.031141
+    1SOL     H6    6   0.070170   0.143017   0.114217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048822   0.057797   0.121217
+    0SOL     H2    2  -0.131207   0.009400   0.115498
+    0SOL     H3    3  -0.075318   0.148728   0.135065
+    1SOL     O4    4   0.059770  -0.065129  -0.120256
+    1SOL     H5    5   0.029252   0.004405  -0.061981
+    1SOL     H6    6   0.014651  -0.048590  -0.203038
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013366  -0.102956   0.111367
+    0SOL     H2    2  -0.074833  -0.133802   0.090588
+    0SOL     H3    3   0.037292  -0.047085   0.037420
+    1SOL     O4    4  -0.004659   0.104990  -0.101608
+    1SOL     H5    5   0.016590   0.061432  -0.184152
+    1SOL     H6    6  -0.098734   0.091108  -0.090671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095972  -0.063585  -0.088322
+    0SOL     H2    2   0.137587   0.019351  -0.111817
+    0SOL     H3    3   0.046678  -0.088680  -0.166442
+    1SOL     O4    4  -0.093936   0.061150   0.099837
+    1SOL     H5    5  -0.176842   0.089239   0.061109
+    1SOL     H6    6  -0.046767   0.019300   0.027824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019041   0.110046   0.086916
+    0SOL     H2    2  -0.069976   0.142650   0.100154
+    0SOL     H3    3   0.066544   0.137429   0.165376
+    1SOL     O4    4  -0.021167  -0.114533  -0.095798
+    1SOL     H5    5   0.052524  -0.173605  -0.080223
+    1SOL     H6    6  -0.002424  -0.037952  -0.041518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065916  -0.122273   0.045075
+    0SOL     H2    2   0.089598  -0.120880   0.137809
+    0SOL     H3    3  -0.017898  -0.168430   0.042401
+    1SOL     O4    4  -0.064692   0.130349  -0.053563
+    1SOL     H5    5   0.019320   0.084476  -0.053553
+    1SOL     H6    6  -0.117409   0.083893   0.011438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033361   0.113654   0.097813
+    0SOL     H2    2  -0.121138   0.075564   0.100404
+    0SOL     H3    3   0.021985   0.044014   0.062464
+    1SOL     O4    4   0.033116  -0.109090  -0.089822
+    1SOL     H5    5   0.124653  -0.095569  -0.114328
+    1SOL     H6    6  -0.016019  -0.091957  -0.170162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052221  -0.070156   0.114378
+    0SOL     H2    2  -0.056369   0.011981   0.163355
+    0SOL     H3    3  -0.037270  -0.137148   0.181093
+    1SOL     O4    4   0.046940   0.067358  -0.126589
+    1SOL     H5    5   0.127997   0.117862  -0.133024
+    1SOL     H6    6   0.042987   0.039890  -0.034980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102550   0.005560  -0.102391
+    0SOL     H2    2   0.142142   0.086670  -0.070519
+    0SOL     H3    3   0.108131   0.011978  -0.197733
+    1SOL     O4    4  -0.106645  -0.015306   0.110994
+    1SOL     H5    5  -0.145210   0.070561   0.093622
+    1SOL     H6    6  -0.038822  -0.025118   0.044165
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067605  -0.113305  -0.079014
+    0SOL     H2    2  -0.053435  -0.023959  -0.047729
+    0SOL     H3    3  -0.017371  -0.118510  -0.160327
+    1SOL     O4    4   0.067595   0.108412   0.076329
+    1SOL     H5    5   0.092523   0.082828   0.165134
+    1SOL     H6    6  -0.024362   0.133962   0.083635
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015315   0.134396  -0.057186
+    0SOL     H2    2  -0.013911   0.220234  -0.014851
+    0SOL     H3    3   0.054334   0.138806  -0.122699
+    1SOL     O4    4   0.011478  -0.140105   0.065682
+    1SOL     H5    5   0.035908  -0.062892   0.014656
+    1SOL     H6    6  -0.015045  -0.204718   0.000231
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006083  -0.142072   0.064708
+    0SOL     H2    2  -0.012813  -0.059216   0.017254
+    0SOL     H3    3   0.039955  -0.119728   0.145600
+    1SOL     O4    4   0.006351   0.132193  -0.061729
+    1SOL     H5    5   0.014365   0.111699  -0.154885
+    1SOL     H6    6  -0.045911   0.212346  -0.059198
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052631   0.074074   0.127955
+    0SOL     H2    2  -0.104143   0.134419   0.074409
+    0SOL     H3    3   0.002376   0.027242   0.065159
+    1SOL     O4    4   0.051462  -0.072662  -0.114601
+    1SOL     H5    5   0.035275  -0.026531  -0.196894
+    1SOL     H6    6   0.087209  -0.157377  -0.141206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027768  -0.057690  -0.132622
+    0SOL     H2    2  -0.053820  -0.084229  -0.175064
+    0SOL     H3    3   0.092570  -0.057688  -0.203071
+    1SOL     O4    4  -0.024831   0.064872   0.140996
+    1SOL     H5    5   0.005548   0.019636   0.062300
+    1SOL     H6    6  -0.086378   0.003793   0.181537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004875  -0.121036   0.084794
+    0SOL     H2    2  -0.039640  -0.201294   0.111990
+    0SOL     H3    3   0.056627  -0.095268   0.161083
+    1SOL     O4    4  -0.003702   0.130319  -0.089980
+    1SOL     H5    5   0.017043   0.069225  -0.160687
+    1SOL     H6    6  -0.051894   0.077705  -0.026171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153305   0.023866   0.025648
+    0SOL     H2    2   0.193543  -0.062802   0.031299
+    0SOL     H3    3   0.061365   0.006375   0.005562
+    1SOL     O4    4  -0.145409  -0.020796  -0.028205
+    1SOL     H5    5  -0.197539   0.056030  -0.051497
+    1SOL     H6    6  -0.181338  -0.049639   0.055696
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.082734  -0.114123  -0.060756
+    0SOL     H2    2   0.066902  -0.141687   0.029532
+    0SOL     H3    3   0.177454  -0.101219  -0.065650
+    1SOL     O4    4  -0.091400   0.120586   0.056203
+    1SOL     H5    5  -0.075541   0.054999   0.124094
+    1SOL     H6    6  -0.035438   0.093721  -0.016659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024865  -0.106860   0.114504
+    0SOL     H2    2  -0.094906  -0.168846   0.094151
+    0SOL     H3    3  -0.029662  -0.041479   0.044757
+    1SOL     O4    4   0.030071   0.109079  -0.102877
+    1SOL     H5    5   0.096924   0.093680  -0.169628
+    1SOL     H6    6  -0.052744   0.090407  -0.147097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054822  -0.032853   0.149526
+    0SOL     H2    2   0.120881  -0.100850   0.136295
+    0SOL     H3    3   0.038403   0.002026   0.061912
+    1SOL     O4    4  -0.056084   0.036885  -0.136907
+    1SOL     H5    5  -0.021405   0.068190  -0.220452
+    1SOL     H6    6  -0.121284  -0.028881  -0.161118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015630   0.014176  -0.164162
+    0SOL     H2    2  -0.102821   0.045720  -0.140388
+    0SOL     H3    3   0.020094  -0.021269  -0.082739
+    1SOL     O4    4   0.021549  -0.009505   0.154327
+    1SOL     H5    5   0.064905  -0.087257   0.189501
+    1SOL     H6    6  -0.068605  -0.015979   0.185834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127809  -0.032327  -0.086082
+    0SOL     H2    2  -0.197629  -0.072874  -0.137497
+    0SOL     H3    3  -0.122342  -0.085648  -0.006777
+    1SOL     O4    4   0.132971   0.039107   0.090542
+    1SOL     H5    5   0.089379   0.094209   0.025535
+    1SOL     H6    6   0.145720  -0.044775   0.046228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084071   0.138864  -0.018855
+    0SOL     H2    2  -0.040156   0.062291  -0.055874
+    0SOL     H3    3  -0.174001   0.132871  -0.051088
+    1SOL     O4    4   0.087670  -0.131413   0.016461
+    1SOL     H5    5   0.146467  -0.142767   0.091136
+    1SOL     H6    6   0.007825  -0.177890   0.041500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042391   0.075104  -0.144605
+    0SOL     H2    2   0.014081   0.133336  -0.093789
+    0SOL     H3    3  -0.110824   0.048448  -0.083215
+    1SOL     O4    4   0.044470  -0.074042   0.144737
+    1SOL     H5    5  -0.036669  -0.114655   0.114253
+    1SOL     H6    6   0.103477  -0.078914   0.069526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070000  -0.042656  -0.146437
+    0SOL     H2    2   0.159188  -0.067839  -0.122488
+    0SOL     H3    3   0.035596  -0.118363  -0.193841
+    1SOL     O4    4  -0.073243   0.040475   0.148058
+    1SOL     H5    5  -0.051223   0.095700   0.073041
+    1SOL     H6    6  -0.086802   0.102081   0.220053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020612  -0.153278  -0.090161
+    0SOL     H2    2  -0.072708  -0.194314  -0.021136
+    0SOL     H3    3  -0.068868  -0.073702  -0.112552
+    1SOL     O4    4   0.021805   0.154624   0.091051
+    1SOL     H5    5   0.117353   0.157573   0.095969
+    1SOL     H6    6   0.003337   0.094889   0.018573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083369   0.158696  -0.048088
+    0SOL     H2    2  -0.089086   0.085331  -0.109301
+    0SOL     H3    3  -0.150128   0.140114   0.017945
+    1SOL     O4    4   0.086062  -0.158614   0.051890
+    1SOL     H5    5   0.097233  -0.164071  -0.043019
+    1SOL     H6    6   0.100310  -0.066222   0.072459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095433  -0.141810   0.075032
+    0SOL     H2    2   0.180047  -0.108888   0.105346
+    0SOL     H3    3   0.042399  -0.063211   0.061925
+    1SOL     O4    4  -0.094933   0.142099  -0.076918
+    1SOL     H5    5  -0.150809   0.109346  -0.006438
+    1SOL     H6    6  -0.079198   0.065777  -0.132503
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045512   0.131523   0.125795
+    0SOL     H2    2  -0.019249   0.112364   0.193627
+    0SOL     H3    3   0.114909   0.067145   0.140001
+    1SOL     O4    4  -0.048955  -0.121228  -0.129167
+    1SOL     H5    5   0.039672  -0.134667  -0.162740
+    1SOL     H6    6  -0.082430  -0.209569  -0.113751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017810   0.134862  -0.124238
+    0SOL     H2    2  -0.043260   0.208525  -0.121681
+    0SOL     H3    3   0.104015   0.175460  -0.133331
+    1SOL     O4    4  -0.018570  -0.144807   0.129522
+    1SOL     H5    5  -0.001938  -0.051281   0.117751
+    1SOL     H6    6  -0.054090  -0.173634   0.045441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012964  -0.182527  -0.058525
+    0SOL     H2    2   0.046193  -0.272282  -0.059947
+    0SOL     H3    3   0.036297  -0.146936  -0.144264
+    1SOL     O4    4  -0.015325   0.180656   0.068433
+    1SOL     H5    5  -0.085510   0.183942   0.003428
+    1SOL     H6    6   0.037572   0.258410   0.050589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107576  -0.164376  -0.016499
+    0SOL     H2    2  -0.176371  -0.214914  -0.059806
+    0SOL     H3    3  -0.144151  -0.142603   0.069236
+    1SOL     O4    4   0.108454   0.165574   0.019167
+    1SOL     H5    5   0.110548   0.131152  -0.070125
+    1SOL     H6    6   0.192475   0.210215   0.029655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116669   0.166366  -0.004738
+    0SOL     H2    2   0.138404   0.232068  -0.070868
+    0SOL     H3    3   0.118418   0.214237   0.078134
+    1SOL     O4    4  -0.116125  -0.175964  -0.001762
+    1SOL     H5    5  -0.114228  -0.080783   0.008210
+    1SOL     H6    6  -0.149232  -0.208220   0.082058
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015939  -0.173268  -0.127114
+    0SOL     H2    2   0.067826  -0.139439  -0.158758
+    0SOL     H3    3  -0.007742  -0.172267  -0.031751
+    1SOL     O4    4   0.013403   0.172056   0.117369
+    1SOL     H5    5   0.025355   0.230424   0.192286
+    1SOL     H6    6  -0.040092   0.100244   0.151190
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025133  -0.065037  -0.203899
+    0SOL     H2    2   0.022041  -0.017121  -0.272024
+    0SOL     H3    3  -0.062557   0.003162  -0.148125
+    1SOL     O4    4   0.026951   0.063279   0.201268
+    1SOL     H5    5   0.044456  -0.029429   0.185109
+    1SOL     H6    6  -0.032231   0.063771   0.276498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041398   0.112128  -0.184442
+    0SOL     H2    2  -0.003575   0.189335  -0.218776
+    0SOL     H3    3   0.126145   0.145053  -0.154505
+    1SOL     O4    4  -0.037999  -0.116861   0.181088
+    1SOL     H5    5  -0.070041  -0.072915   0.259855
+    1SOL     H6    6  -0.104981  -0.182276   0.161172
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102057   0.176976   0.088117
+    0SOL     H2    2   0.100124   0.197136   0.181670
+    0SOL     H3    3   0.191001   0.145382   0.072209
+    1SOL     O4    4  -0.104937  -0.169562  -0.092295
+    1SOL     H5    5  -0.113399  -0.223310  -0.013543
+    1SOL     H6    6  -0.123165  -0.229722  -0.164481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070458  -0.211627  -0.035619
+    0SOL     H2    2   0.062874  -0.297789   0.005379
+    0SOL     H3    3   0.160094  -0.208778  -0.069080
+    1SOL     O4    4  -0.077634   0.221685   0.037813
+    1SOL     H5    5  -0.027967   0.214121  -0.043663
+    1SOL     H6    6  -0.079267   0.132787   0.073265
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011765   0.179995  -0.149044
+    0SOL     H2    2   0.054709   0.173276  -0.217589
+    0SOL     H3    3  -0.090047   0.211110  -0.194498
+    1SOL     O4    4   0.012038  -0.176452   0.150392
+    1SOL     H5    5   0.077740  -0.245971   0.153942
+    1SOL     H6    6  -0.044680  -0.193169   0.225665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.213194   0.060342   0.122765
+    0SOL     H2    2  -0.148096   0.035125   0.188253
+    0SOL     H3    3  -0.240856  -0.022376   0.083333
+    1SOL     O4    4   0.210850  -0.049130  -0.129895
+    1SOL     H5    5   0.244173  -0.138862  -0.129658
+    1SOL     H6    6   0.179010  -0.035119  -0.040720
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.188728   0.073654  -0.148381
+    0SOL     H2    2  -0.271812   0.100856  -0.109402
+    0SOL     H3    3  -0.137199   0.154148  -0.153654
+    1SOL     O4    4   0.189698  -0.081664   0.140682
+    1SOL     H5    5   0.204427  -0.127135   0.223614
+    1SOL     H6    6   0.182916   0.010710   0.164835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063210  -0.224406  -0.121487
+    0SOL     H2    2  -0.042136  -0.302182  -0.069823
+    0SOL     H3    3  -0.001167  -0.158039  -0.091348
+    1SOL     O4    4   0.054260   0.220346   0.115412
+    1SOL     H5    5   0.118561   0.220231   0.186318
+    1SOL     H6    6   0.066604   0.304735   0.071957
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116135  -0.178390   0.175104
+    0SOL     H2    2   0.191817  -0.221730   0.135656
+    0SOL     H3    3   0.040536  -0.217734   0.131524
+    1SOL     O4    4  -0.116493   0.185291  -0.176386
+    1SOL     H5    5  -0.188263   0.166143  -0.116015
+    1SOL     H6    6  -0.037215   0.166407  -0.126180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027169  -0.262236   0.141204
+    0SOL     H2    2   0.032120  -0.229967   0.231185
+    0SOL     H3    3   0.029889  -0.183252   0.087200
+    1SOL     O4    4  -0.026652   0.249515  -0.144408
+    1SOL     H5    5  -0.075694   0.290793  -0.073321
+    1SOL     H6    6   0.007375   0.322763  -0.195781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094681  -0.243427  -0.134215
+    0SOL     H2    2  -0.171149  -0.263499  -0.080251
+    0SOL     H3    3  -0.130943  -0.203690  -0.213388
+    1SOL     O4    4   0.102298   0.239514   0.141474
+    1SOL     H5    5   0.023923   0.273735   0.098477
+    1SOL     H6    6   0.172770   0.254652   0.078491
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101867   0.135034  -0.260265
+    0SOL     H2    2   0.125198   0.217199  -0.303473
+    0SOL     H3    3   0.099139   0.070637  -0.331031
+    1SOL     O4    4  -0.104032  -0.133169   0.273094
+    1SOL     H5    5  -0.074288  -0.222358   0.255120
+    1SOL     H6    6  -0.115744  -0.093887   0.186594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079688  -0.338492  -0.010209
+    0SOL     H2    2  -0.169502  -0.305427  -0.008620
+    0SOL     H3    3  -0.049015  -0.328982   0.079963
+    1SOL     O4    4   0.080527   0.333615  -0.000728
+    1SOL     H5    5   0.086290   0.424791   0.027840
+    1SOL     H6    6   0.124104   0.283962   0.068539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026324   0.332122   0.146667
+    0SOL     H2    2  -0.066002   0.274821   0.081058
+    0SOL     H3    3  -0.050456   0.420539   0.119054
+    1SOL     O4    4   0.031239  -0.331008  -0.147104
+    1SOL     H5    5   0.088852  -0.391170  -0.099949
+    1SOL     H6    6  -0.048079  -0.326909  -0.093679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105741   0.367178   0.025925
+    0SOL     H2    2   0.091594   0.452432   0.067083
+    0SOL     H3    3   0.193669   0.341440   0.053648
+    1SOL     O4    4  -0.107650  -0.375804  -0.025606
+    1SOL     H5    5  -0.172542  -0.308200  -0.006083
+    1SOL     H6    6  -0.080937  -0.358095  -0.115801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.226954  -0.038048   0.350954
+    0SOL     H2    2   0.137801  -0.038143   0.385798
+    0SOL     H3    3   0.268526  -0.114307   0.391187
+    1SOL     O4    4  -0.227690   0.048154  -0.356898
+    1SOL     H5    5  -0.146240   0.010029  -0.389682
+    1SOL     H6    6  -0.258045  -0.013632  -0.290390
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040190   0.267350   0.385557
+    0SOL     H2    2   0.028686   0.317708   0.428944
+    0SOL     H3    3  -0.092673   0.332991   0.339741
+    1SOL     O4    4   0.037766  -0.280996  -0.386648
+    1SOL     H5    5   0.124749  -0.242673  -0.375350
+    1SOL     H6    6  -0.022398  -0.207136  -0.377304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099874   0.462913  -0.270700
+    0SOL     H2    2   0.041086   0.422362  -0.206967
+    0SOL     H3    3   0.092770   0.556816  -0.253548
+    1SOL     O4    4  -0.101290  -0.468764   0.268258
+    1SOL     H5    5  -0.023954  -0.444744   0.319292
+    1SOL     H6    6  -0.082142  -0.437896   0.179699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093852  -0.497495   0.369630
+    0SOL     H2    2   0.145654  -0.495451   0.289164
+    0SOL     H3    3   0.058175  -0.409018   0.377458
+    1SOL     O4    4  -0.095038   0.490088  -0.371490
+    1SOL     H5    5  -0.063689   0.445629  -0.292731
+    1SOL     H6    6  -0.122108   0.576689  -0.340996
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040316   0.525087   0.330955
+    0SOL     H2    2   0.124506   0.542655   0.288935
+    0SOL     H3    3   0.017110   0.607573   0.373614
+    1SOL     O4    4  -0.040161  -0.531273  -0.336455
+    1SOL     H5    5  -0.021508  -0.562350  -0.247863
+    1SOL     H6    6  -0.126702  -0.490885  -0.329996
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.451526   0.267004   0.352013
+    0SOL     H2    2   0.385128   0.198560   0.360322
+    0SOL     H3    3   0.526154   0.223201   0.311095
+    1SOL     O4    4  -0.449691  -0.257084  -0.354773
+    1SOL     H5    5  -0.432689  -0.250724  -0.260790
+    1SOL     H6    6  -0.509740  -0.331131  -0.363342
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.847838  -0.062146   0.371849
+    0SOL     H2    2  -0.807055   0.014916   0.332346
+    0SOL     H3    3  -0.892328  -0.105685   0.299136
+    1SOL     O4    4   0.850278   0.066240  -0.363859
+    1SOL     H5    5   0.887544  -0.019806  -0.344633
+    1SOL     H6    6   0.773601   0.047621  -0.418047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.832912  -0.487341   0.088283
+    0SOL     H2    2  -0.840878  -0.396864   0.058070
+    0SOL     H3    3  -0.759932  -0.485629   0.150197
+    1SOL     O4    4   0.831358   0.488408  -0.088839
+    1SOL     H5    5   0.852421   0.430877  -0.162384
+    1SOL     H6    6   0.768644   0.438491  -0.036517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/340K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.830365  -0.093703  -0.570985
+    0SOL     H2    2   0.853110  -0.001639  -0.557978
+    0SOL     H3    3   0.741558  -0.091677  -0.606642
+    1SOL     O4    4  -0.828870   0.090267   0.578919
+    1SOL     H5    5  -0.863139   0.125476   0.496772
+    1SOL     H6    6  -0.758634   0.030987   0.552174
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103488   0.047782  -0.039975
+    0SOL     H2    2  -0.123485   0.099928  -0.117713
+    0SOL     H3    3  -0.182823   0.052793   0.013346
+    1SOL     O4    4   0.110942  -0.058695   0.042665
+    1SOL     H5    5   0.028376  -0.016330   0.019202
+    1SOL     H6    6   0.173658   0.013264   0.049800
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005985   0.110312   0.059429
+    0SOL     H2    2  -0.080606   0.109618   0.119375
+    0SOL     H3    3  -0.016819   0.190663   0.008550
+    1SOL     O4    4   0.008074  -0.118936  -0.063836
+    1SOL     H5    5   0.083654  -0.138583  -0.008483
+    1SOL     H6    6  -0.011499  -0.026959  -0.045963
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090618   0.086929   0.015143
+    0SOL     H2    2   0.085655   0.072828   0.109689
+    0SOL     H3    3   0.182829   0.106588  -0.001381
+    1SOL     O4    4  -0.094080  -0.093645  -0.018133
+    1SOL     H5    5  -0.044205  -0.012529  -0.008389
+    1SOL     H6    6  -0.178558  -0.065777  -0.053477
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021659   0.079718   0.108627
+    0SOL     H2    2   0.022255   0.023274   0.031322
+    0SOL     H3    3   0.088507   0.042417   0.166092
+    1SOL     O4    4  -0.023032  -0.067900  -0.105662
+    1SOL     H5    5  -0.114552  -0.095288  -0.111683
+    1SOL     H6    6   0.027005  -0.146128  -0.128878
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045845   0.003651  -0.119282
+    0SOL     H2    2   0.110580   0.074026  -0.114912
+    0SOL     H3    3   0.065241  -0.041740  -0.201293
+    1SOL     O4    4  -0.057974  -0.006616   0.123319
+    1SOL     H5    5  -0.009487   0.017617   0.202212
+    1SOL     H6    6   0.008075  -0.008058   0.054053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068702  -0.117403  -0.017609
+    0SOL     H2    2  -0.056663  -0.025153   0.004915
+    0SOL     H3    3  -0.099572  -0.158048   0.063369
+    1SOL     O4    4   0.066073   0.110260   0.015233
+    1SOL     H5    5   0.159877   0.103961  -0.002751
+    1SOL     H6    6   0.037201   0.186817  -0.034446
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058819  -0.061560   0.097090
+    0SOL     H2    2   0.033151  -0.143121   0.140117
+    0SOL     H3    3   0.085584  -0.004016   0.168747
+    1SOL     O4    4  -0.055936   0.068482  -0.105214
+    1SOL     H5    5  -0.140523   0.039726  -0.139570
+    1SOL     H6    6  -0.026277  -0.004244  -0.050500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072041   0.105060   0.032605
+    0SOL     H2    2   0.075763   0.058818   0.116331
+    0SOL     H3    3   0.119602   0.186665   0.048125
+    1SOL     O4    4  -0.075628  -0.114025  -0.037532
+    1SOL     H5    5  -0.127037  -0.062019  -0.099296
+    1SOL     H6    6  -0.016682  -0.050907   0.003744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.096030   0.098945  -0.033203
+    0SOL     H2    2   0.060749   0.009967  -0.032582
+    0SOL     H3    3   0.102396   0.122883   0.059257
+    1SOL     O4    4  -0.093150  -0.088792   0.030312
+    1SOL     H5    5  -0.131660  -0.119470  -0.051774
+    1SOL     H6    6  -0.076814  -0.168657   0.080481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009584   0.073178   0.109169
+    0SOL     H2    2   0.057469   0.114084   0.163876
+    0SOL     H3    3  -0.067634   0.029151   0.171251
+    1SOL     O4    4   0.014300  -0.075658  -0.119206
+    1SOL     H5    5   0.014422  -0.020248  -0.041154
+    1SOL     H6    6  -0.078340  -0.086901  -0.140510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092296   0.085531  -0.037954
+    0SOL     H2    2  -0.059336   0.170923  -0.065958
+    0SOL     H3    3  -0.160576   0.064135  -0.101534
+    1SOL     O4    4   0.099429  -0.090557   0.039400
+    1SOL     H5    5   0.088783  -0.129677   0.126110
+    1SOL     H6    6   0.021285  -0.036531   0.027689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092661   0.001322  -0.105935
+    0SOL     H2    2   0.027575  -0.022062  -0.039758
+    0SOL     H3    3   0.086969  -0.068672  -0.170979
+    1SOL     O4    4  -0.084654  -0.001182   0.102840
+    1SOL     H5    5  -0.059089   0.086684   0.130916
+    1SOL     H6    6  -0.178201  -0.006373   0.122445
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013419  -0.040395   0.137302
+    0SOL     H2    2   0.015063  -0.043450   0.041644
+    0SOL     H3    3  -0.060191   0.017108   0.158215
+    1SOL     O4    4  -0.009878   0.037284  -0.127288
+    1SOL     H5    5  -0.062795  -0.009390  -0.191970
+    1SOL     H6    6   0.057840   0.081125  -0.178810
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041769  -0.098332  -0.078700
+    0SOL     H2    2  -0.023962  -0.083265  -0.171534
+    0SOL     H3    3  -0.021413  -0.190864  -0.065069
+    1SOL     O4    4   0.035059   0.105921   0.087319
+    1SOL     H5    5   0.129888   0.118828   0.085542
+    1SOL     H6    6   0.018443   0.040656   0.019299
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080362   0.047663   0.109698
+    0SOL     H2    2   0.005212   0.091791   0.149290
+    0SOL     H3    3   0.043227  -0.002547   0.037156
+    1SOL     O4    4  -0.069847  -0.047357  -0.102850
+    1SOL     H5    5  -0.074778  -0.107437  -0.177204
+    1SOL     H6    6  -0.142085   0.013906  -0.116667
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024168  -0.047671   0.133813
+    0SOL     H2    2  -0.030176  -0.017824   0.043064
+    0SOL     H3    3   0.028527  -0.127459   0.129395
+    1SOL     O4    4   0.026179   0.049566  -0.123277
+    1SOL     H5    5  -0.023378  -0.019287  -0.167611
+    1SOL     H6    6  -0.004181   0.130831  -0.163732
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096113  -0.043467   0.090428
+    0SOL     H2    2  -0.033132  -0.114730   0.101255
+    0SOL     H3    3  -0.166589  -0.081486   0.037987
+    1SOL     O4    4   0.102459   0.049275  -0.088349
+    1SOL     H5    5   0.051602   0.107828  -0.144452
+    1SOL     H6    6   0.038047   0.011447  -0.028496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052676  -0.016792  -0.134501
+    0SOL     H2    2  -0.030100   0.023093  -0.050466
+    0SOL     H3    3  -0.019974  -0.106520  -0.128035
+    1SOL     O4    4   0.052076   0.013606   0.126751
+    1SOL     H5    5  -0.037726   0.031159   0.154855
+    1SOL     H6    6   0.099229   0.094904   0.144903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033389  -0.141077  -0.003298
+    0SOL     H2    2   0.004394  -0.052958   0.020293
+    0SOL     H3    3   0.103586  -0.127037  -0.066840
+    1SOL     O4    4  -0.030855   0.132721   0.009288
+    1SOL     H5    5  -0.033878   0.147004  -0.085312
+    1SOL     H6    6  -0.115759   0.163570   0.040941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135073   0.008019  -0.050034
+    0SOL     H2    2   0.045530   0.007437  -0.016210
+    0SOL     H3    3   0.167995   0.095472  -0.029288
+    1SOL     O4    4  -0.134041  -0.006363   0.047786
+    1SOL     H5    5  -0.077364  -0.056589   0.106330
+    1SOL     H6    6  -0.153259  -0.066336  -0.024299
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135644   0.009635  -0.025350
+    0SOL     H2    2   0.161986  -0.039123  -0.103396
+    0SOL     H3    3   0.157030  -0.048503   0.047622
+    1SOL     O4    4  -0.144145  -0.007142   0.021739
+    1SOL     H5    5  -0.157514   0.054398   0.093825
+    1SOL     H6    6  -0.049458  -0.007476   0.007719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106591   0.039951   0.078097
+    0SOL     H2    2  -0.116375   0.127012   0.116658
+    0SOL     H3    3  -0.081378  -0.016103   0.151476
+    1SOL     O4    4   0.109356  -0.037442  -0.088142
+    1SOL     H5    5   0.039600  -0.011637  -0.027888
+    1SOL     H6    6   0.114050  -0.132703  -0.080034
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036701   0.051078   0.120548
+    0SOL     H2    2  -0.017843   0.024727   0.194662
+    0SOL     H3    3   0.051257   0.144783   0.133582
+    1SOL     O4    4  -0.038671  -0.059417  -0.124173
+    1SOL     H5    5   0.016744  -0.004049  -0.069166
+    1SOL     H6    6  -0.014553  -0.036006  -0.213797
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085796   0.068252  -0.093410
+    0SOL     H2    2  -0.050376   0.134012  -0.153271
+    0SOL     H3    3  -0.008633   0.024465  -0.057479
+    1SOL     O4    4   0.082221  -0.063433   0.092896
+    1SOL     H5    5   0.101597  -0.150487   0.058132
+    1SOL     H6    6   0.013092  -0.078205   0.157436
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137292  -0.020093  -0.044913
+    0SOL     H2    2   0.119922  -0.038134  -0.137299
+    0SOL     H3    3   0.050529  -0.013383  -0.005046
+    1SOL     O4    4  -0.124969   0.022457   0.046431
+    1SOL     H5    5  -0.166647   0.020719   0.132583
+    1SOL     H6    6  -0.194046  -0.004298  -0.014190
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109966   0.073509   0.039795
+    0SOL     H2    2   0.110028   0.035808   0.127778
+    0SOL     H3    3   0.200628   0.065446   0.010167
+    1SOL     O4    4  -0.115299  -0.076465  -0.047377
+    1SOL     H5    5  -0.041605  -0.018889  -0.026968
+    1SOL     H6    6  -0.188030  -0.041525   0.004116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085877   0.096140   0.050996
+    0SOL     H2    2   0.016619   0.143591   0.005017
+    0SOL     H3    3   0.104034   0.149318   0.128487
+    1SOL     O4    4  -0.087993  -0.099608  -0.056405
+    1SOL     H5    5  -0.068430  -0.192215  -0.042141
+    1SOL     H6    6  -0.017176  -0.052997  -0.011968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124248  -0.009102  -0.062568
+    0SOL     H2    2   0.170921  -0.038591   0.015626
+    0SOL     H3    3   0.162115   0.076582  -0.082235
+    1SOL     O4    4  -0.134257   0.004134   0.062635
+    1SOL     H5    5  -0.082019   0.082966   0.077433
+    1SOL     H6    6  -0.090422  -0.040447  -0.009845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052789  -0.130635   0.010338
+    0SOL     H2    2  -0.070565  -0.128092  -0.083682
+    0SOL     H3    3   0.018679  -0.193641   0.019555
+    1SOL     O4    4   0.048915   0.138974  -0.010176
+    1SOL     H5    5   0.019640   0.047841  -0.010311
+    1SOL     H6    6   0.093646   0.149687   0.073769
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021045   0.019282   0.141145
+    0SOL     H2    2   0.001419   0.104940   0.177483
+    0SOL     H3    3  -0.099249   0.035370   0.088347
+    1SOL     O4    4   0.018884  -0.022275  -0.142599
+    1SOL     H5    5   0.076115  -0.085126  -0.186605
+    1SOL     H6    6   0.057679  -0.011172  -0.055801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099345   0.088735  -0.061161
+    0SOL     H2    2   0.170376   0.073282  -0.123436
+    0SOL     H3    3   0.071006   0.001168  -0.034868
+    1SOL     O4    4  -0.095828  -0.081457   0.060533
+    1SOL     H5    5  -0.151694  -0.156870   0.041714
+    1SOL     H6    6  -0.144823  -0.030880   0.125369
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029660  -0.131572   0.061420
+    0SOL     H2    2   0.015644  -0.086049   0.144447
+    0SOL     H3    3  -0.056260  -0.131534   0.019228
+    1SOL     O4    4  -0.020534   0.133289  -0.066741
+    1SOL     H5    5  -0.116102   0.128010  -0.067846
+    1SOL     H6    6   0.006828   0.061212  -0.010010
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039773  -0.025689   0.142127
+    0SOL     H2    2   0.020215  -0.020459   0.048573
+    0SOL     H3    3   0.127708   0.011215   0.150361
+    1SOL     O4    4  -0.042828   0.023813  -0.130352
+    1SOL     H5    5   0.008287   0.060004  -0.202739
+    1SOL     H6    6  -0.113658  -0.024576  -0.172827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045036   0.076098   0.113601
+    0SOL     H2    2  -0.069016   0.020137   0.187463
+    0SOL     H3    3  -0.127700   0.092814   0.068327
+    1SOL     O4    4   0.051707  -0.070349  -0.121933
+    1SOL     H5    5   0.068182  -0.162989  -0.104367
+    1SOL     H6    6   0.031743  -0.032839  -0.036161
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056738   0.138176  -0.025498
+    0SOL     H2    2   0.010245   0.069934  -0.029819
+    0SOL     H3    3  -0.077256   0.145798   0.067686
+    1SOL     O4    4   0.053761  -0.132255   0.014368
+    1SOL     H5    5  -0.017004  -0.170943   0.065922
+    1SOL     H6    6   0.130621  -0.137802   0.071149
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125084   0.027800  -0.083059
+    0SOL     H2    2   0.075003   0.002317  -0.005568
+    0SOL     H3    3   0.076676   0.101832  -0.119642
+    1SOL     O4    4  -0.113135  -0.032979   0.079576
+    1SOL     H5    5  -0.172175   0.000560   0.012109
+    1SOL     H6    6  -0.162352  -0.023963   0.161176
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116654   0.004986   0.097444
+    0SOL     H2    2   0.165120   0.068804   0.045093
+    0SOL     H3    3   0.052941  -0.032505   0.036637
+    1SOL     O4    4  -0.112933  -0.011895  -0.092013
+    1SOL     H5    5  -0.102279   0.071395  -0.137965
+    1SOL     H6    6  -0.177606   0.006399  -0.023858
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035021   0.136095  -0.054686
+    0SOL     H2    2   0.032390   0.101305   0.034450
+    0SOL     H3    3   0.118958   0.106188  -0.089652
+    1SOL     O4    4  -0.035374  -0.135006   0.055405
+    1SOL     H5    5  -0.112657  -0.084952   0.081563
+    1SOL     H6    6  -0.038225  -0.135301  -0.040272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018756   0.106188   0.098438
+    0SOL     H2    2  -0.020787   0.163048   0.032366
+    0SOL     H3    3   0.109242   0.136651   0.105268
+    1SOL     O4    4  -0.026789  -0.110955  -0.100367
+    1SOL     H5    5   0.039552  -0.178757  -0.087558
+    1SOL     H6    6  -0.012022  -0.049109  -0.028818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053764   0.006807   0.139682
+    0SOL     H2    2   0.034085   0.071616   0.207320
+    0SOL     H3    3  -0.020633   0.011441   0.079633
+    1SOL     O4    4  -0.045155  -0.015731  -0.139207
+    1SOL     H5    5  -0.139719  -0.005074  -0.128896
+    1SOL     H6    6  -0.014139   0.070546  -0.166714
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073849   0.059150   0.106302
+    0SOL     H2    2  -0.084984  -0.013755   0.167319
+    0SOL     H3    3  -0.113018   0.134129   0.151093
+    1SOL     O4    4   0.075698  -0.065309  -0.114214
+    1SOL     H5    5   0.046183  -0.016938  -0.037068
+    1SOL     H6    6   0.128022  -0.002154  -0.163570
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.117788  -0.063570  -0.067457
+    0SOL     H2    2  -0.177029   0.000167  -0.107337
+    0SOL     H3    3  -0.051792  -0.080359  -0.134724
+    1SOL     O4    4   0.121106   0.066369   0.071436
+    1SOL     H5    5   0.040808   0.029557   0.034566
+    1SOL     H6    6   0.140450   0.010890   0.147002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061597  -0.051257   0.130393
+    0SOL     H2    2   0.017831  -0.136374   0.131781
+    0SOL     H3    3   0.122959  -0.057015   0.057154
+    1SOL     O4    4  -0.059234   0.062530  -0.126805
+    1SOL     H5    5  -0.051281  -0.000518  -0.055224
+    1SOL     H6    6  -0.127067   0.025952  -0.183577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061484  -0.137594   0.037233
+    0SOL     H2    2  -0.069386  -0.045479   0.012440
+    0SOL     H3    3  -0.083475  -0.185864  -0.042446
+    1SOL     O4    4   0.060423   0.131006  -0.026640
+    1SOL     H5    5   0.113113   0.107506  -0.103019
+    1SOL     H6    6   0.052959   0.226333  -0.031043
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009354  -0.051910   0.137705
+    0SOL     H2    2   0.103157  -0.063236   0.153034
+    0SOL     H3    3  -0.031106  -0.128134   0.179120
+    1SOL     O4    4  -0.005979   0.058354  -0.143122
+    1SOL     H5    5  -0.040621   0.080981  -0.056807
+    1SOL     H6    6  -0.076928   0.010113  -0.185564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097857  -0.077765   0.092029
+    0SOL     H2    2  -0.028570  -0.022287   0.056198
+    0SOL     H3    3  -0.057970  -0.119772   0.168231
+    1SOL     O4    4   0.092571   0.073942  -0.088424
+    1SOL     H5    5   0.071901   0.166587  -0.100749
+    1SOL     H6    6   0.088500   0.036529  -0.176435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.086020   0.089264  -0.084997
+    0SOL     H2    2  -0.004532   0.104629  -0.111953
+    0SOL     H3    3   0.138545   0.118912  -0.159323
+    1SOL     O4    4  -0.085742  -0.094729   0.095457
+    1SOL     H5    5   0.000847  -0.078348   0.058090
+    1SOL     H6    6  -0.146335  -0.050800   0.035783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030504  -0.032677   0.143344
+    0SOL     H2    2   0.039068  -0.024639   0.208593
+    0SOL     H3    3  -0.062942  -0.122131   0.153744
+    1SOL     O4    4   0.033751   0.035401  -0.151635
+    1SOL     H5    5  -0.054556   0.047918  -0.186385
+    1SOL     H6    6   0.027110   0.060669  -0.059550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118302   0.086403  -0.052078
+    0SOL     H2    2  -0.135963   0.179763  -0.063668
+    0SOL     H3    3  -0.025260   0.082138  -0.030007
+    1SOL     O4    4   0.110213  -0.086958   0.055073
+    1SOL     H5    5   0.196152  -0.076877   0.014144
+    1SOL     H6    6   0.085789  -0.177832   0.037531
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070544  -0.080459   0.107748
+    0SOL     H2    2  -0.130837  -0.144888   0.070654
+    0SOL     H3    3   0.003483  -0.132269   0.139341
+    1SOL     O4    4   0.069026   0.093921  -0.110004
+    1SOL     H5    5   0.010068   0.035810  -0.061948
+    1SOL     H6    6   0.151532   0.045646  -0.114959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.141882  -0.033238  -0.062299
+    0SOL     H2    2   0.199355   0.033164  -0.100376
+    0SOL     H3    3   0.062650   0.014669  -0.038017
+    1SOL     O4    4  -0.135901   0.021513   0.062596
+    1SOL     H5    5  -0.135046   0.109134   0.024072
+    1SOL     H6    6  -0.218636   0.017181   0.110538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076351   0.139198   0.000010
+    0SOL     H2    2  -0.165192   0.174345   0.005867
+    0SOL     H3    3  -0.037975   0.156517   0.085973
+    1SOL     O4    4   0.084569  -0.145777  -0.004518
+    1SOL     H5    5   0.032509  -0.114246   0.069359
+    1SOL     H6    6   0.040092  -0.110981  -0.081806
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046915  -0.106213   0.122104
+    0SOL     H2    2  -0.017553  -0.040061   0.097001
+    0SOL     H3    3   0.130380  -0.059356   0.122738
+    1SOL     O4    4  -0.049090   0.093891  -0.118076
+    1SOL     H5    5  -0.114917   0.157281  -0.146553
+    1SOL     H6    6   0.034674   0.136843  -0.135427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066861   0.147186  -0.014017
+    0SOL     H2    2  -0.116683   0.208160   0.040410
+    0SOL     H3    3   0.021330   0.148375   0.023175
+    1SOL     O4    4   0.066757  -0.147665   0.013933
+    1SOL     H5    5   0.083266  -0.128830  -0.078452
+    1SOL     H6    6   0.007295  -0.222669   0.012880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126787  -0.070448   0.077775
+    0SOL     H2    2   0.097780  -0.122476   0.152702
+    0SOL     H3    3   0.099446  -0.121148   0.001327
+    1SOL     O4    4  -0.122804   0.078335  -0.083511
+    1SOL     H5    5  -0.090263   0.119009  -0.003205
+    1SOL     H6    6  -0.169531   0.000309  -0.053663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053427   0.085967  -0.134923
+    0SOL     H2    2  -0.067340   0.029653  -0.211064
+    0SOL     H3    3  -0.056605   0.026365  -0.060091
+    1SOL     O4    4   0.049039  -0.074967   0.135316
+    1SOL     H5    5   0.061391  -0.146037   0.072396
+    1SOL     H6    6   0.127371  -0.077676   0.190262
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065638  -0.133128   0.071047
+    0SOL     H2    2   0.036832  -0.094146   0.153588
+    0SOL     H3    3   0.161205  -0.132873   0.076449
+    1SOL     O4    4  -0.070524   0.137760  -0.074990
+    1SOL     H5    5  -0.004520   0.098415  -0.132066
+    1SOL     H6    6  -0.117984   0.063204  -0.038232
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130306   0.046784   0.093182
+    0SOL     H2    2  -0.164349   0.061694   0.004972
+    0SOL     H3    3  -0.122661   0.134352   0.131075
+    1SOL     O4    4   0.135870  -0.054680  -0.095121
+    1SOL     H5    5   0.150713   0.017018  -0.033466
+    1SOL     H6    6   0.048812  -0.087739  -0.072976
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007728  -0.166715  -0.006463
+    0SOL     H2    2  -0.002368  -0.201925  -0.095310
+    0SOL     H3    3   0.065422  -0.207432   0.039943
+    1SOL     O4    4   0.004327   0.175662   0.003525
+    1SOL     H5    5  -0.007318   0.195637   0.096411
+    1SOL     H6    6  -0.001705   0.080261  -0.001446
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063158   0.103780  -0.127127
+    0SOL     H2    2   0.069391   0.056806  -0.210295
+    0SOL     H3    3  -0.028201   0.093425  -0.100505
+    1SOL     O4    4  -0.057132  -0.094681   0.127341
+    1SOL     H5    5  -0.120705  -0.162847   0.105566
+    1SOL     H6    6  -0.012412  -0.127594   0.205310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066294  -0.001673   0.167346
+    0SOL     H2    2   0.025140  -0.029968   0.168584
+    0SOL     H3    3  -0.114490  -0.074518   0.206501
+    1SOL     O4    4   0.060628   0.005956  -0.175099
+    1SOL     H5    5   0.154806   0.000848  -0.158768
+    1SOL     H6    6   0.023560   0.036704  -0.092378
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072083  -0.058578  -0.156812
+    0SOL     H2    2   0.114006  -0.024126  -0.235665
+    0SOL     H3    3  -0.017501  -0.025082  -0.160673
+    1SOL     O4    4  -0.074315   0.051877   0.164225
+    1SOL     H5    5  -0.004209   0.004956   0.118993
+    1SOL     H6    6  -0.047313   0.143673   0.161641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161965   0.004230   0.097266
+    0SOL     H2    2  -0.114853  -0.052838   0.157978
+    0SOL     H3    3  -0.190138  -0.053912   0.026639
+    1SOL     O4    4   0.156324   0.004151  -0.092300
+    1SOL     H5    5   0.165116  -0.078350  -0.140035
+    1SOL     H6    6   0.230009   0.057291  -0.122449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008286   0.030883  -0.191598
+    0SOL     H2    2   0.042757  -0.047133  -0.235045
+    0SOL     H3    3  -0.086270   0.026463  -0.205809
+    1SOL     O4    4  -0.008277  -0.020507   0.193078
+    1SOL     H5    5   0.068958  -0.016519   0.249480
+    1SOL     H6    6  -0.018190  -0.113460   0.172495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013326   0.161643  -0.116067
+    0SOL     H2    2   0.055730   0.214990  -0.155406
+    0SOL     H3    3  -0.002888   0.174584  -0.021802
+    1SOL     O4    4   0.006184  -0.162986   0.108116
+    1SOL     H5    5  -0.035124  -0.202628   0.184827
+    1SOL     H6    6   0.099770  -0.163691   0.128203
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.189051   0.080526  -0.065862
+    0SOL     H2    2  -0.223146   0.012456  -0.007842
+    0SOL     H3    3  -0.099760   0.052463  -0.085909
+    1SOL     O4    4   0.179091  -0.077100   0.064396
+    1SOL     H5    5   0.215704   0.010771   0.054375
+    1SOL     H6    6   0.255268  -0.135056   0.063754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.154471  -0.143853   0.008816
+    0SOL     H2    2   0.188636  -0.232771  -0.000598
+    0SOL     H3    3   0.059434  -0.154857   0.011855
+    1SOL     O4    4  -0.145386   0.152729  -0.011348
+    1SOL     H5    5  -0.236198   0.166476  -0.038303
+    1SOL     H6    6  -0.151070   0.090856   0.061465
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073205  -0.196003  -0.053400
+    0SOL     H2    2  -0.017001  -0.166859   0.018392
+    0SOL     H3    3  -0.161108  -0.198438  -0.015591
+    1SOL     O4    4   0.074401   0.190178   0.041100
+    1SOL     H5    5   0.029845   0.179959   0.125199
+    1SOL     H6    6   0.127126   0.269408   0.051348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105898   0.189491  -0.032896
+    0SOL     H2    2   0.194348   0.164773  -0.005913
+    0SOL     H3    3   0.056721   0.107374  -0.032052
+    1SOL     O4    4  -0.105117  -0.178766   0.026472
+    1SOL     H5    5  -0.123713  -0.272655   0.027655
+    1SOL     H6    6  -0.140593  -0.146230   0.109207
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039858  -0.190505  -0.112871
+    0SOL     H2    2  -0.101361  -0.245105  -0.063896
+    0SOL     H3    3   0.006070  -0.139988  -0.045782
+    1SOL     O4    4   0.035317   0.190276   0.102108
+    1SOL     H5    5   0.118768   0.147937   0.081966
+    1SOL     H6    6   0.049980   0.233378   0.186307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043439   0.120106   0.174402
+    0SOL     H2    2  -0.046254   0.214207   0.191703
+    0SOL     H3    3  -0.005544   0.082243   0.253728
+    1SOL     O4    4   0.036675  -0.119163  -0.177876
+    1SOL     H5    5   0.066800  -0.127846  -0.268316
+    1SOL     H6    6   0.089152  -0.182498  -0.128915
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011156   0.015913  -0.228397
+    0SOL     H2    2   0.034051   0.101360  -0.191833
+    0SOL     H3    3   0.032630  -0.046420  -0.159001
+    1SOL     O4    4  -0.012969  -0.015680   0.228326
+    1SOL     H5    5  -0.044263   0.038754   0.156077
+    1SOL     H6    6   0.002505  -0.101467   0.188784
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112479  -0.007068   0.204167
+    0SOL     H2    2   0.038219  -0.010831   0.143887
+    0SOL     H3    3   0.169627   0.060484   0.167656
+    1SOL     O4    4  -0.117210   0.006578  -0.202919
+    1SOL     H5    5  -0.123179  -0.031867  -0.115462
+    1SOL     H6    6  -0.024820  -0.001730  -0.226531
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003204  -0.228794  -0.012329
+    0SOL     H2    2   0.011495  -0.291975  -0.082716
+    0SOL     H3    3  -0.098205  -0.217360  -0.009795
+    1SOL     O4    4   0.010330   0.228415   0.021719
+    1SOL     H5    5   0.017949   0.322517   0.005939
+    1SOL     H6    6  -0.043026   0.196144  -0.050903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014549  -0.193431   0.148620
+    0SOL     H2    2   0.059280  -0.140400   0.082672
+    0SOL     H3    3   0.032751  -0.149076   0.231467
+    1SOL     O4    4  -0.022728   0.185421  -0.146205
+    1SOL     H5    5   0.062627   0.218121  -0.117788
+    1SOL     H6    6  -0.024237   0.201152  -0.240611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035048  -0.091427   0.234086
+    0SOL     H2    2   0.097228  -0.154023   0.196968
+    0SOL     H3    3   0.016494  -0.125132   0.321733
+    1SOL     O4    4  -0.035169   0.094179  -0.231411
+    1SOL     H5    5  -0.123029   0.087350  -0.268778
+    1SOL     H6    6   0.011321   0.153781  -0.290137
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089595   0.248233   0.003524
+    0SOL     H2    2  -0.155407   0.199943  -0.046468
+    0SOL     H3    3  -0.013370   0.251747  -0.054266
+    1SOL     O4    4   0.090101  -0.252297   0.003233
+    1SOL     H5    5   0.122110  -0.195000  -0.066444
+    1SOL     H6    6   0.041482  -0.194144   0.061686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054794   0.221519   0.130039
+    0SOL     H2    2  -0.143741   0.255527   0.139738
+    0SOL     H3    3   0.001674   0.294041   0.156764
+    1SOL     O4    4   0.058479  -0.229979  -0.126857
+    1SOL     H5    5   0.043258  -0.136343  -0.139621
+    1SOL     H6    6   0.037002  -0.269520  -0.211342
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033539   0.291768   0.144851
+    0SOL     H2    2   0.024746   0.360616   0.078935
+    0SOL     H3    3   0.113225   0.244872   0.120088
+    1SOL     O4    4  -0.041855  -0.289514  -0.135992
+    1SOL     H5    5  -0.049746  -0.378267  -0.170964
+    1SOL     H6    6   0.042155  -0.257973  -0.169307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.174083   0.169780   0.257570
+    0SOL     H2    2   0.184007   0.195268   0.349299
+    0SOL     H3    3   0.079956   0.175455   0.241133
+    1SOL     O4    4  -0.169327  -0.164535  -0.261518
+    1SOL     H5    5  -0.188838  -0.230410  -0.194869
+    1SOL     H6    6  -0.148065  -0.215237  -0.339874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074247   0.193199   0.298097
+    0SOL     H2    2  -0.007414   0.195095   0.248194
+    0SOL     H3    3   0.087790   0.100654   0.318451
+    1SOL     O4    4  -0.067708  -0.183152  -0.299155
+    1SOL     H5    5  -0.069577  -0.274959  -0.326180
+    1SOL     H6    6  -0.115351  -0.181595  -0.216149
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038517   0.361645  -0.135228
+    0SOL     H2    2   0.034539   0.323568  -0.086492
+    0SOL     H3    3  -0.116606   0.331934  -0.088518
+    1SOL     O4    4   0.038967  -0.363966   0.127006
+    1SOL     H5    5  -0.036665  -0.311992   0.154225
+    1SOL     H6    6   0.114563  -0.309079   0.147862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012153  -0.361418   0.153651
+    0SOL     H2    2   0.080034  -0.373220   0.087204
+    0SOL     H3    3   0.056797  -0.377748   0.236732
+    1SOL     O4    4  -0.021697   0.365852  -0.160230
+    1SOL     H5    5  -0.009735   0.271972  -0.145888
+    1SOL     H6    6   0.019706   0.407171  -0.084462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.008434   0.101071   0.393439
+    0SOL     H2    2   0.054734   0.036534   0.425176
+    0SOL     H3    3  -0.092846   0.070265   0.426424
+    1SOL     O4    4   0.006210  -0.095213  -0.402865
+    1SOL     H5    5   0.048547  -0.023052  -0.356360
+    1SOL     H6    6   0.023812  -0.172216  -0.348800
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.109125   0.438100  -0.066880
+    0SOL     H2    2  -0.071295   0.352522  -0.087070
+    0SOL     H3    3  -0.129073   0.476291  -0.152354
+    1SOL     O4    4   0.108625  -0.438556   0.066421
+    1SOL     H5    5   0.041477  -0.457657   0.131908
+    1SOL     H6    6   0.165408  -0.373943   0.108412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076088   0.222943  -0.412199
+    0SOL     H2    2  -0.159966   0.228032  -0.366364
+    0SOL     H3    3  -0.023716   0.162374  -0.359750
+    1SOL     O4    4   0.075680  -0.226003   0.408940
+    1SOL     H5    5   0.029595  -0.142487   0.416908
+    1SOL     H6    6   0.156743  -0.204382   0.362858
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.331793  -0.109650   0.380361
+    0SOL     H2    2  -0.421570  -0.142516   0.375653
+    0SOL     H3    3  -0.277505  -0.184506   0.355628
+    1SOL     O4    4   0.337483   0.120336  -0.377954
+    1SOL     H5    5   0.242032   0.115096  -0.382832
+    1SOL     H6    6   0.367111   0.030098  -0.389851
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.373816   0.187950   0.351345
+    0SOL     H2    2   0.405319   0.244036   0.280463
+    0SOL     H3    3   0.299912   0.235867   0.388822
+    1SOL     O4    4  -0.371691  -0.192965  -0.356195
+    1SOL     H5    5  -0.368531  -0.271492  -0.301552
+    1SOL     H6    6  -0.371225  -0.120321  -0.293867
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.556032   0.621791   0.114314
+    0SOL     H2    2  -0.484373   0.650290   0.057612
+    0SOL     H3    3  -0.635051   0.636391   0.062303
+    1SOL     O4    4   0.559203  -0.629753  -0.105500
+    1SOL     H5    5   0.466674  -0.610694  -0.120909
+    1SOL     H6    6   0.605617  -0.554358  -0.141882
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/350K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -1.380146   0.030352  -0.149266
+    0SOL     H2    2  -1.325150   0.093644  -0.103095
+    0SOL     H3    3  -1.342757  -0.054843  -0.126768
+    1SOL     O4    4   1.370157  -0.026854   0.149349
+    1SOL     H5    5   1.449392  -0.075190   0.172751
+    1SOL     H6    6   1.374587  -0.018171   0.054126
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077376  -0.076356  -0.076935
+    0SOL     H2    2  -0.021820  -0.029545  -0.014609
+    0SOL     H3    3  -0.085884  -0.164313  -0.040146
+    1SOL     O4    4   0.072975   0.072711   0.067896
+    1SOL     H5    5   0.012522   0.144907   0.085089
+    1SOL     H6    6   0.156970   0.103015   0.102377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003736   0.104016  -0.072127
+    0SOL     H2    2  -0.082868   0.128880  -0.104436
+    0SOL     H3    3   0.028165   0.174562  -0.012220
+    1SOL     O4    4   0.004930  -0.111646   0.073588
+    1SOL     H5    5   0.003991  -0.048689   0.001491
+    1SOL     H6    6  -0.087421  -0.130764   0.089958
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102261   0.087400  -0.007204
+    0SOL     H2    2  -0.154457   0.064683  -0.084157
+    0SOL     H3    3  -0.013550   0.058887  -0.029106
+    1SOL     O4    4   0.094900  -0.087043   0.011533
+    1SOL     H5    5   0.160354  -0.042538  -0.042294
+    1SOL     H6    6   0.125401  -0.074788   0.101432
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058569  -0.093362  -0.062548
+    0SOL     H2    2  -0.079203  -0.183807  -0.038964
+    0SOL     H3    3  -0.042724  -0.096183  -0.156905
+    1SOL     O4    4   0.058854   0.101353   0.073742
+    1SOL     H5    5   0.012416   0.027431   0.034481
+    1SOL     H6    6   0.106852   0.140917   0.000987
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007880   0.063086  -0.115117
+    0SOL     H2    2   0.090968   0.099406  -0.084467
+    0SOL     H3    3   0.028217   0.025647  -0.200832
+    1SOL     O4    4  -0.018555  -0.060740   0.123745
+    1SOL     H5    5   0.056589  -0.119740   0.129639
+    1SOL     H6    6  -0.024871  -0.039145   0.030707
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000324  -0.081175   0.100821
+    0SOL     H2    2   0.055174  -0.158948   0.095008
+    0SOL     H3    3  -0.020811  -0.073221   0.193984
+    1SOL     O4    4  -0.000459   0.082578  -0.111813
+    1SOL     H5    5   0.025644   0.043465  -0.028439
+    1SOL     H6    6  -0.045748   0.163274  -0.087330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094097   0.031482  -0.087172
+    0SOL     H2    2  -0.160783   0.085082  -0.044250
+    0SOL     H3    3  -0.058526   0.087877  -0.155850
+    1SOL     O4    4   0.097364  -0.044472   0.091178
+    1SOL     H5    5   0.130689   0.039220   0.123540
+    1SOL     H6    6   0.045754  -0.021492   0.013909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078169   0.018793  -0.103659
+    0SOL     H2    2   0.041580   0.001979  -0.190497
+    0SOL     H3    3   0.127715   0.100060  -0.113816
+    1SOL     O4    4  -0.078151  -0.026475   0.115577
+    1SOL     H5    5  -0.153473   0.027990   0.092719
+    1SOL     H6    6  -0.018574  -0.017473   0.041201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113917   0.074126  -0.039899
+    0SOL     H2    2  -0.168427   0.014305   0.011213
+    0SOL     H3    3  -0.024881   0.058131  -0.008608
+    1SOL     O4    4   0.110541  -0.070615   0.029010
+    1SOL     H5    5   0.067785  -0.110656   0.104713
+    1SOL     H6    6   0.179304  -0.015638   0.066581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122851  -0.053884   0.014995
+    0SOL     H2    2   0.189883   0.004627   0.050286
+    0SOL     H3    3   0.089037  -0.100516   0.091443
+    1SOL     O4    4  -0.128069   0.056186  -0.017028
+    1SOL     H5    5  -0.165485   0.020186  -0.097442
+    1SOL     H6    6  -0.034465   0.037259  -0.023541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045692   0.093588   0.083361
+    0SOL     H2    2   0.115034   0.159573   0.083416
+    0SOL     H3    3  -0.034863   0.143439   0.069647
+    1SOL     O4    4  -0.043170  -0.106359  -0.083369
+    1SOL     H5    5  -0.018699  -0.045108  -0.014002
+    1SOL     H6    6  -0.104090  -0.057170  -0.138428
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022858   0.140347   0.000628
+    0SOL     H2    2  -0.020506   0.046446  -0.017797
+    0SOL     H3    3  -0.062395   0.146762   0.087564
+    1SOL     O4    4   0.025747  -0.130327  -0.009144
+    1SOL     H5    5  -0.053790  -0.174405   0.020743
+    1SOL     H6    6   0.096057  -0.170452   0.041931
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064722  -0.119739   0.041986
+    0SOL     H2    2  -0.084519  -0.160155  -0.042494
+    0SOL     H3    3  -0.031660  -0.032696   0.019789
+    1SOL     O4    4   0.062609   0.111255  -0.038995
+    1SOL     H5    5   0.124952   0.125544   0.032219
+    1SOL     H6    6   0.022529   0.196983  -0.053367
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121459   0.034136  -0.036428
+    0SOL     H2    2   0.208416  -0.003192  -0.022028
+    0SOL     H3    3   0.135987   0.105602  -0.098427
+    1SOL     O4    4  -0.128720  -0.039167   0.045691
+    1SOL     H5    5  -0.192150  -0.012142  -0.020707
+    1SOL     H6    6  -0.043500  -0.018697   0.007208
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028351  -0.105453  -0.077092
+    0SOL     H2    2   0.031086  -0.177494  -0.098055
+    0SOL     H3    3  -0.050407  -0.067068  -0.161960
+    1SOL     O4    4   0.023590   0.111323   0.087533
+    1SOL     H5    5  -0.018586   0.045863   0.031869
+    1SOL     H6    6   0.116363   0.106207   0.064524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024571   0.083687  -0.114227
+    0SOL     H2    2  -0.014542   0.046374  -0.026652
+    0SOL     H3    3   0.064986   0.093264  -0.146633
+    1SOL     O4    4   0.019209  -0.075258   0.108636
+    1SOL     H5    5  -0.040937  -0.109704   0.174654
+    1SOL     H6    6   0.070417  -0.151211   0.080864
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.090137  -0.022418   0.107399
+    0SOL     H2    2  -0.055174   0.005414   0.022751
+    0SOL     H3    3  -0.183897  -0.034007   0.092001
+    1SOL     O4    4   0.087285   0.024595  -0.101325
+    1SOL     H5    5   0.105631  -0.053944  -0.152874
+    1SOL     H6    6   0.171427   0.047651  -0.061944
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100636  -0.087439   0.027334
+    0SOL     H2    2  -0.111185  -0.175568   0.063170
+    0SOL     H3    3  -0.123524  -0.096257  -0.065190
+    1SOL     O4    4   0.107204   0.096010  -0.021066
+    1SOL     H5    5   0.076359   0.008992   0.004206
+    1SOL     H6    6   0.054388   0.118920  -0.097538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058585   0.070052  -0.102630
+    0SOL     H2    2   0.024119   0.061419  -0.150041
+    0SOL     H3    3  -0.075545   0.164242  -0.100913
+    1SOL     O4    4   0.059873  -0.073062   0.109259
+    1SOL     H5    5   0.015429  -0.157578   0.102623
+    1SOL     H6    6   0.013204  -0.016509   0.047727
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063348   0.058129  -0.116795
+    0SOL     H2    2  -0.047886   0.032702  -0.025819
+    0SOL     H3    3  -0.007641   0.134827  -0.130077
+    1SOL     O4    4   0.055097  -0.055952   0.109481
+    1SOL     H5    5   0.121197  -0.108194   0.064051
+    1SOL     H6    6   0.047613  -0.096549   0.195841
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074544   0.086521   0.090565
+    0SOL     H2    2   0.019503   0.042578   0.025744
+    0SOL     H3    3   0.122550   0.015599   0.133319
+    1SOL     O4    4  -0.076084  -0.073439  -0.087167
+    1SOL     H5    5   0.002533  -0.095351  -0.137182
+    1SOL     H6    6  -0.121502  -0.156959  -0.076036
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024098  -0.046180  -0.137283
+    0SOL     H2    2  -0.112277  -0.008953  -0.136272
+    0SOL     H3    3   0.020139  -0.005119  -0.062990
+    1SOL     O4    4   0.022023   0.038820   0.128672
+    1SOL     H5    5   0.015184   0.124663   0.170464
+    1SOL     H6    6   0.105978   0.004084   0.158795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007051   0.015148  -0.142631
+    0SOL     H2    2  -0.052683   0.085328  -0.189052
+    0SOL     H3    3  -0.039388   0.020860  -0.052720
+    1SOL     O4    4   0.016969  -0.022463   0.137884
+    1SOL     H5    5  -0.000948   0.071340   0.144382
+    1SOL     H6    6  -0.062091  -0.064405   0.171839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053392  -0.122687   0.057002
+    0SOL     H2    2   0.147845  -0.132643   0.045092
+    0SOL     H3    3   0.036424  -0.030387   0.038157
+    1SOL     O4    4  -0.058245   0.114448  -0.049417
+    1SOL     H5    5  -0.078687   0.082643  -0.137353
+    1SOL     H6    6  -0.035440   0.206568  -0.061913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013614   0.051493   0.126342
+    0SOL     H2    2   0.040528   0.014193   0.210288
+    0SOL     H3    3   0.064091   0.132469   0.118775
+    1SOL     O4    4  -0.013318  -0.055518  -0.135585
+    1SOL     H5    5  -0.105309  -0.032216  -0.148113
+    1SOL     H6    6  -0.000614  -0.052960  -0.040746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043660   0.074119  -0.109914
+    0SOL     H2    2  -0.007978   0.015654  -0.176779
+    0SOL     H3    3  -0.000606   0.158083  -0.126000
+    1SOL     O4    4   0.034058  -0.078750   0.118369
+    1SOL     H5    5   0.128407  -0.081936   0.134195
+    1SOL     H6    6   0.024957  -0.028055   0.037687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001906   0.139798  -0.044260
+    0SOL     H2    2  -0.051250   0.158201  -0.121707
+    0SOL     H3    3  -0.000001   0.044459  -0.035945
+    1SOL     O4    4   0.003159  -0.132547   0.055016
+    1SOL     H5    5   0.062572  -0.169658  -0.010216
+    1SOL     H6    6  -0.083861  -0.141785   0.016230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126878  -0.077545  -0.005430
+    0SOL     H2    2   0.055545  -0.016647   0.013681
+    0SOL     H3    3   0.091080  -0.163795   0.015590
+    1SOL     O4    4  -0.114707   0.081406   0.002375
+    1SOL     H5    5  -0.175634   0.056439  -0.067101
+    1SOL     H6    6  -0.162253   0.063620   0.083525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141418  -0.017965  -0.044901
+    0SOL     H2    2  -0.046819  -0.007988  -0.034227
+    0SOL     H3    3  -0.164050  -0.092763   0.010375
+    1SOL     O4    4   0.138323   0.027496   0.036738
+    1SOL     H5    5   0.095014   0.026578   0.122095
+    1SOL     H6    6   0.164309  -0.063448   0.022032
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101897   0.084779  -0.056773
+    0SOL     H2    2  -0.051056   0.113479  -0.132627
+    0SOL     H3    3  -0.092865   0.156019   0.006518
+    1SOL     O4    4   0.098147  -0.095649   0.061236
+    1SOL     H5    5   0.175230  -0.054990   0.021644
+    1SOL     H6    6   0.025391  -0.038807   0.035980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019880   0.095429   0.116582
+    0SOL     H2    2   0.109950   0.070012   0.096494
+    0SOL     H3    3  -0.032637   0.053652   0.048326
+    1SOL     O4    4  -0.021919  -0.088300  -0.105710
+    1SOL     H5    5   0.049304  -0.134665  -0.149754
+    1SOL     H6    6  -0.097115  -0.098913  -0.163980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046314   0.103027  -0.082654
+    0SOL     H2    2  -0.049497   0.101574  -0.178310
+    0SOL     H3    3  -0.038217   0.195751  -0.060316
+    1SOL     O4    4   0.046548  -0.108558   0.093624
+    1SOL     H5    5   0.079355  -0.168646   0.026724
+    1SOL     H6    6   0.002457  -0.039422   0.044243
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055959   0.106403   0.073030
+    0SOL     H2    2   0.075075   0.192520   0.035873
+    0SOL     H3    3   0.119330   0.096306   0.144055
+    1SOL     O4    4  -0.064383  -0.113566  -0.070280
+    1SOL     H5    5  -0.062500  -0.127946  -0.164894
+    1SOL     H6    6   0.001195  -0.045525  -0.055037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010182  -0.027662  -0.140812
+    0SOL     H2    2   0.067364  -0.074605  -0.110067
+    0SOL     H3    3  -0.043120  -0.080672  -0.213388
+    1SOL     O4    4   0.014077   0.035655   0.142360
+    1SOL     H5    5  -0.038657   0.036338   0.222241
+    1SOL     H6    6  -0.043773  -0.001441   0.075730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108173  -0.016036  -0.105842
+    0SOL     H2    2  -0.054385  -0.008759  -0.184685
+    0SOL     H3    3  -0.045010  -0.022989  -0.034257
+    1SOL     O4    4   0.097223   0.020069   0.102652
+    1SOL     H5    5   0.069660  -0.028184   0.180589
+    1SOL     H6    6   0.188807  -0.004808   0.090165
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122049   0.003673   0.073482
+    0SOL     H2    2   0.078698   0.002433   0.158813
+    0SOL     H3    3   0.213639   0.023112   0.093374
+    1SOL     O4    4  -0.126079   0.001274  -0.081153
+    1SOL     H5    5  -0.056713  -0.030424  -0.023309
+    1SOL     H6    6  -0.170607  -0.078051  -0.110937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.005811  -0.055292   0.131399
+    0SOL     H2    2  -0.072826  -0.092909   0.170939
+    0SOL     H3    3   0.078154  -0.092208   0.182054
+    1SOL     O4    4  -0.002012   0.063099  -0.141226
+    1SOL     H5    5   0.035031   0.007918  -0.072342
+    1SOL     H6    6  -0.096704   0.056682  -0.128793
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037262  -0.089805  -0.119788
+    0SOL     H2    2  -0.089742  -0.018376  -0.155928
+    0SOL     H3    3   0.017509  -0.048080  -0.053293
+    1SOL     O4    4   0.041150   0.083730   0.113299
+    1SOL     H5    5   0.047371   0.040580   0.198515
+    1SOL     H6    6  -0.041043   0.132640   0.117108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038903   0.109209   0.085291
+    0SOL     H2    2   0.055609   0.191004   0.038465
+    0SOL     H3    3   0.080376   0.121535   0.170675
+    1SOL     O4    4  -0.039554  -0.120602  -0.089881
+    1SOL     H5    5  -0.126365  -0.084554  -0.107957
+    1SOL     H6    6   0.000233  -0.058115  -0.029263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093279  -0.065831  -0.104923
+    0SOL     H2    2  -0.154850   0.004514  -0.125490
+    0SOL     H3    3  -0.016176  -0.020884  -0.070321
+    1SOL     O4    4   0.092903   0.053072   0.101123
+    1SOL     H5    5   0.013560   0.089362   0.140494
+    1SOL     H6    6   0.159469   0.120486   0.114785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108828  -0.102585   0.002495
+    0SOL     H2    2   0.114140  -0.114631  -0.092315
+    0SOL     H3    3   0.072702  -0.184985   0.035169
+    1SOL     O4    4  -0.110749   0.109592  -0.004828
+    1SOL     H5    5  -0.130735   0.137581   0.084501
+    1SOL     H6    6  -0.033748   0.053464   0.004271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028158  -0.031705  -0.142287
+    0SOL     H2    2   0.108732   0.010549  -0.172031
+    0SOL     H3    3   0.028491  -0.117119  -0.185493
+    1SOL     O4    4  -0.028968   0.037547   0.150837
+    1SOL     H5    5  -0.108486  -0.013889   0.164746
+    1SOL     H6    6  -0.009170   0.026455   0.057846
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140749  -0.058876  -0.015102
+    0SOL     H2    2  -0.117295  -0.039893  -0.105942
+    0SOL     H3    3  -0.198101   0.013366   0.010475
+    1SOL     O4    4   0.148111   0.056583   0.020627
+    1SOL     H5    5   0.070994   0.089748  -0.025366
+    1SOL     H6    6   0.130005  -0.036477   0.033828
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012775  -0.048198  -0.151084
+    0SOL     H2    2  -0.036054   0.042671  -0.132024
+    0SOL     H3    3   0.067519  -0.063365  -0.101233
+    1SOL     O4    4   0.007539   0.048426   0.151659
+    1SOL     H5    5   0.096269   0.020712   0.128829
+    1SOL     H6    6  -0.049400  -0.007128   0.098423
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110442   0.063151  -0.094340
+    0SOL     H2    2  -0.192486   0.014364  -0.087208
+    0SOL     H3    3  -0.066305   0.048237  -0.010723
+    1SOL     O4    4   0.108162  -0.062782   0.085281
+    1SOL     H5    5   0.095769  -0.035832   0.176289
+    1SOL     H6    6   0.196775  -0.033847   0.063538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016498  -0.125952  -0.097774
+    0SOL     H2    2  -0.027047  -0.031669  -0.085055
+    0SOL     H3    3  -0.104751  -0.157585  -0.117087
+    1SOL     O4    4   0.017400   0.123588   0.094783
+    1SOL     H5    5   0.023041   0.090670   0.184488
+    1SOL     H6    6   0.108408   0.130133   0.065854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044035   0.137880   0.051678
+    0SOL     H2    2  -0.039297   0.184751   0.056284
+    0SOL     H3    3   0.108461   0.200090   0.085463
+    1SOL     O4    4  -0.043801  -0.147606  -0.058873
+    1SOL     H5    5   0.022923  -0.081118  -0.041856
+    1SOL     H6    6  -0.099764  -0.145864   0.018764
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028838   0.085509  -0.131250
+    0SOL     H2    2  -0.024629   0.009158  -0.109478
+    0SOL     H3    3   0.053221   0.072392  -0.222878
+    1SOL     O4    4  -0.032611  -0.077051   0.137713
+    1SOL     H5    5  -0.018331  -0.170603   0.123344
+    1SOL     H6    6   0.051015  -0.036275   0.115213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.049897   0.150334   0.015744
+    0SOL     H2    2   0.126665   0.193237   0.053538
+    0SOL     H3    3   0.078229   0.122934  -0.071485
+    1SOL     O4    4  -0.057930  -0.157743  -0.012419
+    1SOL     H5    5   0.016961  -0.120884   0.034432
+    1SOL     H6    6  -0.084069  -0.089035  -0.073723
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003293  -0.146682   0.073352
+    0SOL     H2    2   0.063798  -0.076091   0.096119
+    0SOL     H3    3   0.046522  -0.193170   0.001711
+    1SOL     O4    4  -0.004076   0.147297  -0.069309
+    1SOL     H5    5  -0.032956   0.066361  -0.111470
+    1SOL     H6    6  -0.085179   0.192183  -0.045436
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041352   0.088195   0.129647
+    0SOL     H2    2   0.033455   0.120835   0.040011
+    0SOL     H3    3   0.105582   0.146090   0.170698
+    1SOL     O4    4  -0.042309  -0.099275  -0.124736
+    1SOL     H5    5  -0.133796  -0.071157  -0.123429
+    1SOL     H6    6   0.005062  -0.025094  -0.162360
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139555   0.072979  -0.034143
+    0SOL     H2    2  -0.225088   0.030801  -0.042362
+    0SOL     H3    3  -0.133602   0.130268  -0.110595
+    1SOL     O4    4   0.147150  -0.078901   0.043126
+    1SOL     H5    5   0.190681  -0.023082  -0.021307
+    1SOL     H6    6   0.055296  -0.052168   0.039879
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106311  -0.034361  -0.124103
+    0SOL     H2    2  -0.154082   0.025975  -0.181023
+    0SOL     H3    3  -0.016384  -0.001570  -0.124459
+    1SOL     O4    4   0.100082   0.024533   0.123170
+    1SOL     H5    5   0.069434   0.072633   0.200043
+    1SOL     H6    6   0.191978   0.049752   0.114146
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109561   0.009310  -0.120128
+    0SOL     H2    2   0.045278  -0.025532  -0.181902
+    0SOL     H3    3   0.163485   0.068583  -0.172485
+    1SOL     O4    4  -0.114251  -0.010726   0.124088
+    1SOL     H5    5  -0.094173  -0.027320   0.216196
+    1SOL     H6    6  -0.029116   0.005767   0.083562
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.115739   0.007098  -0.122694
+    0SOL     H2    2   0.061977  -0.066407  -0.093215
+    0SOL     H3    3   0.156651  -0.023965  -0.203463
+    1SOL     O4    4  -0.110542  -0.005408   0.123010
+    1SOL     H5    5  -0.195240   0.011398   0.081703
+    1SOL     H6    6  -0.113596   0.043950   0.204966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125489  -0.092790   0.082471
+    0SOL     H2    2  -0.101809  -0.055010   0.167173
+    0SOL     H3    3  -0.062911  -0.054697   0.020866
+    1SOL     O4    4   0.115684   0.084830  -0.083425
+    1SOL     H5    5   0.144602   0.139976  -0.156123
+    1SOL     H6    6   0.179870   0.100744  -0.014222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109071   0.005292  -0.137262
+    0SOL     H2    2   0.055694   0.076392  -0.101794
+    0SOL     H3    3   0.055846  -0.031889  -0.207596
+    1SOL     O4    4  -0.101102  -0.010076   0.145271
+    1SOL     H5    5  -0.180632  -0.024868   0.094099
+    1SOL     H6    6  -0.049743   0.051190   0.092630
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.129611  -0.118472   0.012247
+    0SOL     H2    2  -0.104914  -0.131302  -0.079338
+    0SOL     H3    3  -0.086407  -0.189960   0.058994
+    1SOL     O4    4   0.123580   0.121436  -0.004506
+    1SOL     H5    5   0.103785   0.086253  -0.091297
+    1SOL     H6    6   0.185831   0.192265  -0.020950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074603  -0.152994   0.034752
+    0SOL     H2    2  -0.086999  -0.204980   0.114164
+    0SOL     H3    3  -0.151139  -0.095604   0.031448
+    1SOL     O4    4   0.081331   0.156033  -0.033290
+    1SOL     H5    5   0.139373   0.127664  -0.103920
+    1SOL     H6    6  -0.006019   0.129160  -0.061754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032895   0.171094   0.042720
+    0SOL     H2    2  -0.006681   0.208779   0.126713
+    0SOL     H3    3   0.049646   0.152268  -0.001944
+    1SOL     O4    4   0.021205  -0.175445  -0.047018
+    1SOL     H5    5   0.063085  -0.174779   0.039051
+    1SOL     H6    6   0.073899  -0.115459  -0.099813
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127266  -0.086621  -0.104902
+    0SOL     H2    2  -0.126539  -0.013298  -0.043376
+    0SOL     H3    3  -0.038340  -0.121855  -0.101300
+    1SOL     O4    4   0.120008   0.088089   0.096542
+    1SOL     H5    5   0.119677   0.115739   0.188181
+    1SOL     H6    6   0.163524   0.002837   0.097354
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.174747  -0.042926  -0.010840
+    0SOL     H2    2  -0.100950  -0.090880  -0.048479
+    0SOL     H3    3  -0.252235  -0.088869  -0.043202
+    1SOL     O4    4   0.179563   0.043898   0.016172
+    1SOL     H5    5   0.103567   0.066735   0.069701
+    1SOL     H6    6   0.169204   0.095793  -0.063589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026615   0.172152   0.056718
+    0SOL     H2    2  -0.026418   0.175899   0.152364
+    0SOL     H3    3  -0.118085   0.186323   0.032333
+    1SOL     O4    4   0.032712  -0.166578  -0.061021
+    1SOL     H5    5   0.008898  -0.210977   0.020366
+    1SOL     H6    6   0.027501  -0.234783  -0.127978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.069156   0.142226  -0.103550
+    0SOL     H2    2  -0.156116   0.173702  -0.128238
+    0SOL     H3    3  -0.082312   0.099148  -0.019089
+    1SOL     O4    4   0.072073  -0.143742   0.106686
+    1SOL     H5    5   0.128002  -0.070220   0.081613
+    1SOL     H6    6   0.051164  -0.187267   0.024037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.182224  -0.008227   0.035428
+    0SOL     H2    2   0.168477   0.082409   0.007888
+    0SOL     H3    3   0.254964  -0.003684   0.097481
+    1SOL     O4    4  -0.180303  -0.000512  -0.036681
+    1SOL     H5    5  -0.268699  -0.030673  -0.015732
+    1SOL     H6    6  -0.192798   0.087340  -0.072572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.182863  -0.019613  -0.077908
+    0SOL     H2    2   0.147683   0.068760  -0.067192
+    0SOL     H3    3   0.106963  -0.072965  -0.101469
+    1SOL     O4    4  -0.171744   0.021325   0.075198
+    1SOL     H5    5  -0.168746  -0.062242   0.121780
+    1SOL     H6    6  -0.261959   0.051502   0.085826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039622   0.034285   0.190908
+    0SOL     H2    2  -0.051636  -0.046817   0.141507
+    0SOL     H3    3   0.013553   0.008804   0.266309
+    1SOL     O4    4   0.037676  -0.029817  -0.185785
+    1SOL     H5    5  -0.035758   0.009697  -0.232780
+    1SOL     H6    6   0.105391  -0.041385  -0.252442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.138994  -0.038250   0.135591
+    0SOL     H2    2   0.139152  -0.048801   0.040454
+    0SOL     H3    3   0.177171  -0.119499   0.168811
+    1SOL     O4    4  -0.140296   0.048728  -0.127912
+    1SOL     H5    5  -0.132820  -0.044844  -0.109182
+    1SOL     H6    6  -0.164787   0.052817  -0.220356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061893   0.071773   0.176377
+    0SOL     H2    2   0.121914   0.121924   0.121199
+    0SOL     H3    3   0.107516  -0.010799   0.192586
+    1SOL     O4    4  -0.069530  -0.076480  -0.174148
+    1SOL     H5    5  -0.102226  -0.010823  -0.112646
+    1SOL     H6    6  -0.013634  -0.027289  -0.234299
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.098485  -0.021369   0.176272
+    0SOL     H2    2   0.061029  -0.102652   0.210220
+    0SOL     H3    3   0.173414  -0.049552   0.123797
+    1SOL     O4    4  -0.098991   0.021592  -0.175953
+    1SOL     H5    5  -0.122575   0.086942  -0.241797
+    1SOL     H6    6  -0.106375   0.067870  -0.092489
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075220  -0.111433   0.163073
+    0SOL     H2    2   0.126506  -0.134946   0.085747
+    0SOL     H3    3   0.077659  -0.015771   0.165310
+    1SOL     O4    4  -0.079846   0.102896  -0.154166
+    1SOL     H5    5  -0.005376   0.162922  -0.150503
+    1SOL     H6    6  -0.122581   0.122730  -0.237488
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028813   0.190358   0.126879
+    0SOL     H2    2   0.003801   0.098889   0.139923
+    0SOL     H3    3   0.008529   0.207916   0.034995
+    1SOL     O4    4  -0.024027  -0.191359  -0.117968
+    1SOL     H5    5   0.030127  -0.129670  -0.167203
+    1SOL     H6    6  -0.113896  -0.169091  -0.142260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031984  -0.217671   0.054636
+    0SOL     H2    2  -0.123077  -0.204865   0.081104
+    0SOL     H3    3  -0.034233  -0.294137  -0.002897
+    1SOL     O4    4   0.034681   0.218529  -0.058989
+    1SOL     H5    5   0.122974   0.202100  -0.025871
+    1SOL     H6    6  -0.003401   0.280040   0.003689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093037  -0.186767   0.101109
+    0SOL     H2    2   0.174333  -0.166525   0.147408
+    0SOL     H3    3   0.040688  -0.235504   0.164722
+    1SOL     O4    4  -0.090577   0.182855  -0.107520
+    1SOL     H5    5  -0.121836   0.234720  -0.033390
+    1SOL     H6    6  -0.128710   0.225372  -0.184335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072867   0.187819  -0.119219
+    0SOL     H2    2  -0.001322   0.245038  -0.099614
+    0SOL     H3    3   0.148754   0.233735  -0.083231
+    1SOL     O4    4  -0.070176  -0.192776   0.122327
+    1SOL     H5    5  -0.069036  -0.276285   0.075558
+    1SOL     H6    6  -0.117676  -0.133371   0.064213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050413  -0.201951   0.127625
+    0SOL     H2    2  -0.055367  -0.111659   0.096238
+    0SOL     H3    3   0.039640  -0.211694   0.158574
+    1SOL     O4    4   0.043489   0.200670  -0.121849
+    1SOL     H5    5   0.006280   0.124728  -0.166690
+    1SOL     H6    6   0.115200   0.229211  -0.178462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051205  -0.195956   0.149067
+    0SOL     H2    2  -0.015517  -0.124299   0.096589
+    0SOL     H3    3  -0.066233  -0.266563   0.086209
+    1SOL     O4    4   0.049739   0.199773  -0.137291
+    1SOL     H5    5  -0.023043   0.151790  -0.176822
+    1SOL     H6    6   0.125554   0.176975  -0.191093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.107207  -0.141893  -0.182904
+    0SOL     H2    2   0.090611  -0.190227  -0.263840
+    0SOL     H3    3   0.151193  -0.204950  -0.125883
+    1SOL     O4    4  -0.103732   0.148535   0.179529
+    1SOL     H5    5  -0.189679   0.190558   0.182609
+    1SOL     H6    6  -0.100958   0.093792   0.258001
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097916   0.017960  -0.237654
+    0SOL     H2    2  -0.145722   0.090924  -0.198245
+    0SOL     H3    3  -0.050185   0.057227  -0.310744
+    1SOL     O4    4   0.094873  -0.026656   0.234587
+    1SOL     H5    5   0.089669   0.061008   0.272669
+    1SOL     H6    6   0.153982  -0.074577   0.292656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076796  -0.107825  -0.301903
+    0SOL     H2    2  -0.003474  -0.132040  -0.245336
+    0SOL     H3    3  -0.148112  -0.087510  -0.241375
+    1SOL     O4    4   0.076875   0.115350   0.296557
+    1SOL     H5    5   0.126774   0.048661   0.343727
+    1SOL     H6    6   0.022561   0.065801   0.235261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097655   0.117831  -0.293965
+    0SOL     H2    2   0.083545   0.190186  -0.232907
+    0SOL     H3    3   0.077040   0.154588  -0.379909
+    1SOL     O4    4  -0.093288  -0.121088   0.290417
+    1SOL     H5    5  -0.168342  -0.180481   0.291730
+    1SOL     H6    6  -0.062771  -0.118969   0.381117
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046632   0.318534   0.087434
+    0SOL     H2    2  -0.108745   0.370596   0.138363
+    0SOL     H3    3  -0.074680   0.329794  -0.003389
+    1SOL     O4    4   0.046452  -0.324273  -0.088999
+    1SOL     H5    5   0.134397  -0.362062  -0.089216
+    1SOL     H6    6   0.051260  -0.252659  -0.025669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095928  -0.367343  -0.137999
+    0SOL     H2    2  -0.044325  -0.438810  -0.175309
+    0SOL     H3    3  -0.055423  -0.350353  -0.052952
+    1SOL     O4    4   0.090949   0.363957   0.136548
+    1SOL     H5    5   0.098749   0.433342   0.202025
+    1SOL     H6    6   0.084379   0.410354   0.053082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.103301   0.437925   0.030271
+    0SOL     H2    2   0.089277   0.508683   0.093191
+    0SOL     H3    3   0.192300   0.407419   0.047904
+    1SOL     O4    4  -0.105317  -0.435684  -0.031326
+    1SOL     H5    5  -0.059993  -0.515468  -0.058577
+    1SOL     H6    6  -0.191971  -0.442421  -0.071427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055600   0.181057   0.438858
+    0SOL     H2    2  -0.010169   0.151726   0.501916
+    0SOL     H3    3   0.028859   0.141244   0.356020
+    1SOL     O4    4  -0.051812  -0.179327  -0.432901
+    1SOL     H5    5  -0.030329  -0.218632  -0.517493
+    1SOL     H6    6  -0.030301  -0.086642  -0.443346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028740   0.482991  -0.069168
+    0SOL     H2    2   0.097877   0.418019  -0.056480
+    0SOL     H3    3  -0.045919   0.432583  -0.101531
+    1SOL     O4    4  -0.031382  -0.472300   0.066504
+    1SOL     H5    5   0.004861  -0.466129   0.154882
+    1SOL     H6    6  -0.017263  -0.563499   0.041089
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000813  -0.418573   0.326946
+    0SOL     H2    2   0.030455  -0.447024   0.241067
+    0SOL     H3    3   0.065367  -0.450409   0.388338
+    1SOL     O4    4   0.003376   0.420861  -0.324706
+    1SOL     H5    5  -0.063415   0.354480  -0.307532
+    1SOL     H6    6  -0.045557   0.496083  -0.358015
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.395563  -0.242313  -0.307588
+    0SOL     H2    2  -0.331246  -0.228910  -0.377200
+    0SOL     H3    3  -0.403648  -0.337417  -0.300370
+    1SOL     O4    4   0.394392   0.243421   0.316389
+    1SOL     H5    5   0.411150   0.334591   0.292524
+    1SOL     H6    6   0.344100   0.208242   0.242935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013608   0.452819   0.324154
+    0SOL     H2    2  -0.074538   0.483620   0.303083
+    0SOL     H3    3   0.050642   0.521850   0.379160
+    1SOL     O4    4  -0.006482  -0.460486  -0.322034
+    1SOL     H5    5  -0.085268  -0.410962  -0.299619
+    1SOL     H6    6  -0.012377  -0.473403  -0.416695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/360K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088752   0.198654   0.534040
+    0SOL     H2    2  -0.174360   0.172846   0.499870
+    0SOL     H3    3  -0.105506   0.279809   0.581950
+    1SOL     O4    4   0.090861  -0.205900  -0.539002
+    1SOL     H5    5   0.165220  -0.220328  -0.480480
+    1SOL     H6    6   0.065234  -0.115023  -0.523290
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039238  -0.055278  -0.107131
+    0SOL     H2    2  -0.119237  -0.002950  -0.102201
+    0SOL     H3    3   0.013067  -0.012807  -0.175123
+    1SOL     O4    4   0.037921   0.047055   0.115609
+    1SOL     H5    5   0.028742   0.029035   0.022050
+    1SOL     H6    6   0.107107   0.113010   0.120670
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062960  -0.007057   0.109614
+    0SOL     H2    2   0.087956  -0.098738   0.098125
+    0SOL     H3    3   0.022675  -0.003858   0.196386
+    1SOL     O4    4  -0.059925   0.008546  -0.119284
+    1SOL     H5    5  -0.013126   0.016905  -0.036204
+    1SOL     H6    6  -0.143517   0.052703  -0.104290
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054912  -0.120565   0.013146
+    0SOL     H2    2  -0.011127  -0.188859   0.001434
+    0SOL     H3    3   0.006694  -0.038528   0.002790
+    1SOL     O4    4  -0.047778   0.112802  -0.012894
+    1SOL     H5    5   0.008213   0.180861  -0.050248
+    1SOL     H6    6  -0.111414   0.160592   0.040294
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060677   0.023753  -0.121649
+    0SOL     H2    2   0.093763  -0.063547  -0.100522
+    0SOL     H3    3   0.003353   0.046088  -0.048317
+    1SOL     O4    4  -0.055641  -0.015419   0.112972
+    1SOL     H5    5  -0.149499  -0.031599   0.103426
+    1SOL     H6    6  -0.027518  -0.076675   0.180936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062393  -0.119530   0.016271
+    0SOL     H2    2  -0.037377  -0.031279  -0.011084
+    0SOL     H3    3  -0.154711  -0.126892  -0.007930
+    1SOL     O4    4   0.067762   0.108313  -0.016005
+    1SOL     H5    5   0.133047   0.166288   0.023227
+    1SOL     H6    6  -0.014684   0.156333  -0.008323
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008662  -0.075207   0.105414
+    0SOL     H2    2  -0.029186  -0.014482   0.168994
+    0SOL     H3    3  -0.037912  -0.157519   0.120175
+    1SOL     O4    4  -0.002804   0.077124  -0.116933
+    1SOL     H5    5   0.005413  -0.002433  -0.064345
+    1SOL     H6    6  -0.026388   0.145212  -0.053925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007252   0.129155  -0.002002
+    0SOL     H2    2   0.062131   0.184723  -0.057344
+    0SOL     H3    3  -0.073900   0.178747   0.008828
+    1SOL     O4    4  -0.001805  -0.139430   0.002540
+    1SOL     H5    5  -0.088599  -0.155078   0.039746
+    1SOL     H6    6   0.008527  -0.044299   0.004909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076805   0.089230  -0.075719
+    0SOL     H2    2   0.035819   0.025283  -0.017468
+    0SOL     H3    3   0.015217   0.162466  -0.078092
+    1SOL     O4    4  -0.066080  -0.085681   0.074544
+    1SOL     H5    5  -0.159512  -0.065311   0.070302
+    1SOL     H6    6  -0.059618  -0.175546   0.042223
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072657   0.041191   0.114978
+    0SOL     H2    2  -0.082592  -0.052848   0.129814
+    0SOL     H3    3  -0.038540   0.047945   0.025800
+    1SOL     O4    4   0.070120  -0.032524  -0.105049
+    1SOL     H5    5   0.093168   0.003303  -0.190767
+    1SOL     H6    6   0.067048  -0.127222  -0.118656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125398  -0.018509  -0.038953
+    0SOL     H2    2   0.163689  -0.091710   0.009397
+    0SOL     H3    3   0.173224   0.058383  -0.007927
+    1SOL     O4    4  -0.134333   0.021872   0.039460
+    1SOL     H5    5  -0.040015   0.010437   0.027817
+    1SOL     H6    6  -0.173378  -0.022794  -0.035657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068950   0.084062  -0.074689
+    0SOL     H2    2  -0.050550   0.161961  -0.127182
+    0SOL     H3    3  -0.123285   0.029252  -0.131311
+    1SOL     O4    4   0.077187  -0.086419   0.079592
+    1SOL     H5    5   0.015678  -0.129607   0.138868
+    1SOL     H6    6   0.023442  -0.024523   0.030167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092487  -0.105924   0.004667
+    0SOL     H2    2  -0.151720  -0.083145   0.076325
+    0SOL     H3    3  -0.020236  -0.043633   0.012532
+    1SOL     O4    4   0.088657   0.095099  -0.007939
+    1SOL     H5    5   0.097424   0.142771  -0.090480
+    1SOL     H6    6   0.130679   0.151539   0.056952
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062328   0.098440  -0.082222
+    0SOL     H2    2   0.142816   0.050362  -0.062921
+    0SOL     H3    3  -0.005762   0.051627  -0.033904
+    1SOL     O4    4  -0.065553  -0.088991   0.073108
+    1SOL     H5    5  -0.033305  -0.058948   0.158077
+    1SOL     H6    6  -0.058381  -0.184359   0.077070
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016328  -0.026205  -0.139390
+    0SOL     H2    2  -0.013817   0.011433  -0.051416
+    0SOL     H3    3  -0.077277  -0.099674  -0.132330
+    1SOL     O4    4   0.020775   0.027185   0.126675
+    1SOL     H5    5   0.019054  -0.037965   0.196781
+    1SOL     H6    6   0.004978   0.110546   0.170987
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108865   0.000312   0.075211
+    0SOL     H2    2   0.202178   0.021397   0.071982
+    0SOL     H3    3   0.104426  -0.081379   0.124902
+    1SOL     O4    4  -0.118233   0.007767  -0.080960
+    1SOL     H5    5  -0.033035   0.025121  -0.040927
+    1SOL     H6    6  -0.131704  -0.086232  -0.068925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090294   0.003254   0.099117
+    0SOL     H2    2   0.036010   0.046203   0.165230
+    0SOL     H3    3   0.170102   0.055989   0.095643
+    1SOL     O4    4  -0.091187  -0.012365  -0.108437
+    1SOL     H5    5  -0.039671  -0.016098  -0.027849
+    1SOL     H6    6  -0.156773   0.055360  -0.091879
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.005645   0.135459  -0.045360
+    0SOL     H2    2   0.014210   0.042798  -0.022937
+    0SOL     H3    3   0.092429   0.160630  -0.076940
+    1SOL     O4    4  -0.010316  -0.125686   0.047260
+    1SOL     H5    5  -0.090077  -0.172289   0.022184
+    1SOL     H6    6   0.058024  -0.192697   0.046032
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036622   0.123328  -0.064746
+    0SOL     H2    2  -0.018182   0.045280  -0.012489
+    0SOL     H3    3  -0.005694   0.101245  -0.152599
+    1SOL     O4    4   0.038876  -0.113668   0.062828
+    1SOL     H5    5   0.017085  -0.107779   0.155849
+    1SOL     H6    6  -0.017049  -0.183827   0.029474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036231   0.073461   0.108903
+    0SOL     H2    2   0.026048   0.137094   0.144036
+    0SOL     H3    3  -0.032768   0.000087   0.170276
+    1SOL     O4    4   0.037789  -0.077496  -0.115255
+    1SOL     H5    5  -0.027772  -0.061452  -0.183127
+    1SOL     H6    6   0.012338  -0.019854  -0.043200
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.142905   0.015000   0.017751
+    0SOL     H2    2  -0.047443   0.007999   0.018385
+    0SOL     H3    3  -0.168228  -0.010202  -0.071051
+    1SOL     O4    4   0.134028  -0.008230  -0.013828
+    1SOL     H5    5   0.160358  -0.042868   0.071432
+    1SOL     H6    6   0.187709  -0.056266  -0.076863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050338   0.131634   0.029742
+    0SOL     H2    2  -0.079757   0.121218   0.120231
+    0SOL     H3    3  -0.018766   0.044831   0.004628
+    1SOL     O4    4   0.044780  -0.125188  -0.030174
+    1SOL     H5    5   0.132754  -0.139930   0.004546
+    1SOL     H6    6   0.055252  -0.130595  -0.125166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132704  -0.017292  -0.014198
+    0SOL     H2    2  -0.204534   0.025102   0.032765
+    0SOL     H3    3  -0.166370  -0.104155  -0.036191
+    1SOL     O4    4   0.142353   0.016110   0.016057
+    1SOL     H5    5   0.047582   0.016522   0.029499
+    1SOL     H6    6   0.157411   0.083014  -0.050722
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060720  -0.068928   0.102684
+    0SOL     H2    2   0.021340  -0.090703   0.146892
+    0SOL     H3    3  -0.102420  -0.004482   0.159869
+    1SOL     O4    4   0.062358   0.065068  -0.114226
+    1SOL     H5    5   0.045929   0.150126  -0.073513
+    1SOL     H6    6   0.006816   0.004087  -0.065659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124793   0.002526  -0.056398
+    0SOL     H2    2   0.217702   0.024539  -0.049650
+    0SOL     H3    3   0.092107   0.057868  -0.127328
+    1SOL     O4    4  -0.133112  -0.009540   0.061391
+    1SOL     H5    5  -0.076305   0.039992   0.120398
+    1SOL     H6    6  -0.090727  -0.002617  -0.024154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035780   0.115808   0.064183
+    0SOL     H2    2   0.106125   0.173021   0.033514
+    0SOL     H3    3   0.069861   0.076936   0.144741
+    1SOL     O4    4  -0.039961  -0.121493  -0.072167
+    1SOL     H5    5  -0.130621  -0.096780  -0.053938
+    1SOL     H6    6   0.011613  -0.072476  -0.008137
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103864  -0.086448   0.049725
+    0SOL     H2    2  -0.191861  -0.076105   0.013506
+    0SOL     H3    3  -0.060640  -0.002905   0.031986
+    1SOL     O4    4   0.101356   0.081388  -0.043808
+    1SOL     H5    5   0.108266   0.067381  -0.138245
+    1SOL     H6    6   0.191667   0.094146  -0.014767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122957   0.057335  -0.058247
+    0SOL     H2    2  -0.061251  -0.009831  -0.029207
+    0SOL     H3    3  -0.149989   0.101507   0.022255
+    1SOL     O4    4   0.117438  -0.050931   0.048742
+    1SOL     H5    5   0.104051  -0.144823   0.035802
+    1SOL     H6    6   0.189600  -0.045387   0.111386
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082888  -0.113581  -0.032882
+    0SOL     H2    2  -0.003603  -0.069631  -0.002149
+    0SOL     H3    3  -0.052321  -0.198269  -0.065377
+    1SOL     O4    4   0.072927   0.110918   0.036292
+    1SOL     H5    5   0.048829   0.151385  -0.047039
+    1SOL     H6    6   0.152594   0.156730   0.063066
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073721   0.127370  -0.005176
+    0SOL     H2    2  -0.158880   0.116425  -0.047490
+    0SOL     H3    3  -0.037487   0.038875  -0.000920
+    1SOL     O4    4   0.070571  -0.118849   0.006598
+    1SOL     H5    5   0.146336  -0.108991  -0.051063
+    1SOL     H6    6   0.103033  -0.170682   0.080231
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110623   0.084165   0.035479
+    0SOL     H2    2  -0.046461   0.146538   0.069468
+    0SOL     H3    3  -0.143588   0.038932   0.113129
+    1SOL     O4    4   0.112957  -0.089127  -0.038869
+    1SOL     H5    5   0.041949  -0.034636  -0.004944
+    1SOL     H6    6   0.108764  -0.077644  -0.133805
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054992   0.138402  -0.003423
+    0SOL     H2    2   0.021130   0.191659  -0.026478
+    0SOL     H3    3  -0.025671   0.048098  -0.015579
+    1SOL     O4    4   0.050906  -0.130512   0.005430
+    1SOL     H5    5  -0.015776  -0.170209  -0.050605
+    1SOL     H6    6   0.081213  -0.202203   0.061147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062349  -0.026643  -0.133224
+    0SOL     H2    2  -0.104760  -0.111291  -0.119139
+    0SOL     H3    3  -0.023986  -0.004603  -0.048343
+    1SOL     O4    4   0.060934   0.034209   0.122990
+    1SOL     H5    5   0.005579  -0.007721   0.188868
+    1SOL     H6    6   0.149242   0.002711   0.142273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039234  -0.044663   0.134831
+    0SOL     H2    2   0.065419   0.010572   0.208491
+    0SOL     H3    3  -0.003122   0.015491   0.073595
+    1SOL     O4    4  -0.042473   0.042413  -0.130727
+    1SOL     H5    5  -0.046247  -0.048979  -0.158932
+    1SOL     H6    6   0.029297   0.080258  -0.181511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.089408  -0.033641   0.111050
+    0SOL     H2    2   0.021889   0.030351   0.088497
+    0SOL     H3    3   0.142348   0.009873   0.177880
+    1SOL     O4    4  -0.085820   0.025672  -0.107272
+    1SOL     H5    5  -0.035138   0.045627  -0.185984
+    1SOL     H6    6  -0.176706   0.042027  -0.132462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090613  -0.064294  -0.103627
+    0SOL     H2    2   0.054291   0.017652  -0.070044
+    0SOL     H3    3   0.109810  -0.115905  -0.025331
+    1SOL     O4    4  -0.087679   0.060535   0.091388
+    1SOL     H5    5  -0.137658   0.138794   0.114626
+    1SOL     H6    6  -0.070608   0.017246   0.175035
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089227   0.090217  -0.060915
+    0SOL     H2    2  -0.111086   0.175955  -0.024397
+    0SOL     H3    3  -0.159281   0.072276  -0.123628
+    1SOL     O4    4   0.095015  -0.092707   0.069011
+    1SOL     H5    5   0.126054  -0.174943   0.031114
+    1SOL     H6    6   0.061710  -0.042933  -0.005659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.138134   0.030488  -0.055407
+    0SOL     H2    2  -0.202937   0.089805  -0.017400
+    0SOL     H3    3  -0.074837   0.015868   0.014893
+    1SOL     O4    4   0.140306  -0.038971   0.047540
+    1SOL     H5    5   0.119850   0.035020  -0.009636
+    1SOL     H6    6   0.121229  -0.007117   0.135765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012693  -0.083583  -0.122172
+    0SOL     H2    2   0.060625  -0.144585  -0.114084
+    0SOL     H3    3   0.015939  -0.020238  -0.187974
+    1SOL     O4    4   0.010133   0.088219   0.127712
+    1SOL     H5    5   0.011843   0.052579   0.038891
+    1SOL     H6    6  -0.050277   0.031213   0.175286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061601  -0.037227   0.130689
+    0SOL     H2    2   0.023958  -0.076457   0.148096
+    0SOL     H3    3  -0.122402  -0.111156   0.130960
+    1SOL     O4    4   0.062379   0.046882  -0.137488
+    1SOL     H5    5  -0.024666   0.012209  -0.117909
+    1SOL     H6    6   0.113977   0.027836  -0.059148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025933  -0.108072  -0.114160
+    0SOL     H2    2  -0.057426  -0.092374  -0.069809
+    0SOL     H3    3   0.067455  -0.021931  -0.118405
+    1SOL     O4    4  -0.027952   0.105550   0.115194
+    1SOL     H5    5   0.025310   0.032960   0.147692
+    1SOL     H6    6  -0.001636   0.115547   0.023707
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045124  -0.126634  -0.084808
+    0SOL     H2    2  -0.037114  -0.068424  -0.009246
+    0SOL     H3    3  -0.004855  -0.078135  -0.156839
+    1SOL     O4    4   0.047682   0.117825   0.080470
+    1SOL     H5    5  -0.044449   0.127568   0.056399
+    1SOL     H6    6   0.051849   0.146692   0.171638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003364  -0.047240   0.139954
+    0SOL     H2    2   0.020191  -0.013871   0.228077
+    0SOL     H3    3  -0.078618  -0.095990   0.148001
+    1SOL     O4    4   0.003705   0.049272  -0.151830
+    1SOL     H5    5  -0.073947   0.093741  -0.117843
+    1SOL     H6    6   0.028490  -0.012012  -0.082604
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023151   0.118308  -0.098233
+    0SOL     H2    2  -0.066848   0.140034  -0.073933
+    0SOL     H3    3   0.077027   0.179040  -0.047524
+    1SOL     O4    4  -0.019263  -0.124569   0.100362
+    1SOL     H5    5  -0.082302  -0.172554   0.046641
+    1SOL     H6    6   0.006797  -0.050161   0.046080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.100322  -0.075134  -0.094055
+    0SOL     H2    2   0.011512  -0.078978  -0.058553
+    0SOL     H3    3   0.095805  -0.125245  -0.175485
+    1SOL     O4    4  -0.098559   0.072361   0.093349
+    1SOL     H5    5  -0.021861   0.070266   0.150580
+    1SOL     H6    6  -0.122920   0.164838   0.089242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083602  -0.003548  -0.127487
+    0SOL     H2    2   0.060228   0.032294  -0.213110
+    0SOL     H3    3   0.114153  -0.092319  -0.146157
+    1SOL     O4    4  -0.089656   0.010667   0.133068
+    1SOL     H5    5  -0.082534  -0.081719   0.157078
+    1SOL     H6    6   0.000024   0.037117   0.112567
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042925  -0.065121  -0.140325
+    0SOL     H2    2  -0.113319  -0.126495  -0.119343
+    0SOL     H3    3   0.014772  -0.067772  -0.063995
+    1SOL     O4    4   0.048518   0.065474   0.131565
+    1SOL     H5    5   0.049174   0.160668   0.141566
+    1SOL     H6    6  -0.031837   0.037303   0.175289
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059334   0.144981  -0.043483
+    0SOL     H2    2  -0.026343   0.056466  -0.028027
+    0SOL     H3    3  -0.153364   0.138824  -0.026665
+    1SOL     O4    4   0.061600  -0.134573   0.037789
+    1SOL     H5    5   0.041049  -0.141810   0.130996
+    1SOL     H6    6   0.102012  -0.218443   0.015541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037361  -0.029154   0.154468
+    0SOL     H2    2   0.078699  -0.110716   0.182771
+    0SOL     H3    3   0.043542  -0.030997   0.058966
+    1SOL     O4    4  -0.036247   0.039786  -0.148203
+    1SOL     H5    5  -0.008248  -0.033163  -0.203492
+    1SOL     H6    6  -0.126914   0.019214  -0.125427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007354  -0.077130  -0.141815
+    0SOL     H2    2   0.051338  -0.045825  -0.062773
+    0SOL     H3    3   0.047717  -0.027476  -0.213003
+    1SOL     O4    4  -0.018717   0.074597   0.139549
+    1SOL     H5    5   0.010265  -0.016434   0.145519
+    1SOL     H6    6   0.057420   0.125854   0.166721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075917  -0.145201  -0.007951
+    0SOL     H2    2   0.090441  -0.167346   0.084033
+    0SOL     H3    3   0.124396  -0.063697  -0.020958
+    1SOL     O4    4  -0.078711   0.145552   0.008550
+    1SOL     H5    5  -0.062549   0.051219   0.006983
+    1SOL     H6    6  -0.110456   0.165926  -0.079424
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057164  -0.121383  -0.087008
+    0SOL     H2    2   0.028012  -0.150200  -0.119826
+    0SOL     H3    3  -0.114687  -0.124643  -0.163446
+    1SOL     O4    4   0.054372   0.130247   0.094409
+    1SOL     H5    5   0.118006   0.076131   0.141148
+    1SOL     H6    6   0.007371   0.068770   0.038072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026865   0.009347  -0.158509
+    0SOL     H2    2   0.065577  -0.014808  -0.152750
+    0SOL     H3    3  -0.054064  -0.020345  -0.245348
+    1SOL     O4    4   0.022001   0.000120   0.165798
+    1SOL     H5    5  -0.043831  -0.068478   0.154724
+    1SOL     H6    6   0.103101  -0.038975   0.133292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051313   0.150456  -0.050254
+    0SOL     H2    2   0.066056   0.055898  -0.052173
+    0SOL     H3    3   0.062806   0.178384  -0.141085
+    1SOL     O4    4  -0.049604  -0.143424   0.051216
+    1SOL     H5    5  -0.138191  -0.133441   0.086074
+    1SOL     H6    6  -0.014251  -0.219688   0.097000
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042264   0.013916   0.153787
+    0SOL     H2    2   0.093919   0.010619   0.234305
+    0SOL     H3    3  -0.034990   0.065477   0.176929
+    1SOL     O4    4  -0.042165  -0.019969  -0.165797
+    1SOL     H5    5   0.025798  -0.046009  -0.103627
+    1SOL     H6    6  -0.081658   0.058062  -0.126889
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122114  -0.100385  -0.058081
+    0SOL     H2    2   0.162175  -0.097896  -0.144979
+    0SOL     H3    3   0.072743  -0.018601  -0.052064
+    1SOL     O4    4  -0.116848   0.099145   0.062416
+    1SOL     H5    5  -0.146597   0.047922   0.137606
+    1SOL     H6    6  -0.179537   0.078595  -0.006939
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084684  -0.096742  -0.123499
+    0SOL     H2    2   0.001543  -0.106986  -0.083221
+    0SOL     H3    3  -0.137771  -0.054313  -0.056091
+    1SOL     O4    4   0.076650   0.093913   0.116514
+    1SOL     H5    5   0.144845   0.091694   0.049382
+    1SOL     H6    6   0.123134   0.115991   0.197223
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128045   0.097838   0.076481
+    0SOL     H2    2   0.167607   0.010969   0.083627
+    0SOL     H3    3   0.122076   0.113815  -0.017708
+    1SOL     O4    4  -0.127231  -0.093438  -0.078294
+    1SOL     H5    5  -0.164347  -0.023811  -0.024101
+    1SOL     H6    6  -0.135075  -0.172343  -0.024677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025610   0.127382   0.127067
+    0SOL     H2    2   0.101006   0.077930   0.094938
+    0SOL     H3    3   0.050319   0.219114   0.115359
+    1SOL     O4    4  -0.034894  -0.129439  -0.129269
+    1SOL     H5    5  -0.057159  -0.176031  -0.048672
+    1SOL     H6    6   0.052805  -0.094535  -0.113366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085097  -0.135013  -0.112862
+    0SOL     H2    2   0.014535  -0.195651  -0.090357
+    0SOL     H3    3   0.135522  -0.125806  -0.032024
+    1SOL     O4    4  -0.088533   0.133226   0.110593
+    1SOL     H5    5  -0.100261   0.227111   0.096091
+    1SOL     H6    6  -0.003337   0.113396   0.071726
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092875   0.172371  -0.025898
+    0SOL     H2    2  -0.091876   0.256402   0.019929
+    0SOL     H3    3  -0.140602   0.113639   0.032710
+    1SOL     O4    4   0.098269  -0.171037   0.024608
+    1SOL     H5    5   0.066649  -0.261290   0.020489
+    1SOL     H6    6   0.080541  -0.135400  -0.062443
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017957   0.120331  -0.156025
+    0SOL     H2    2  -0.055437   0.068996  -0.189793
+    0SOL     H3    3  -0.011933   0.211125  -0.161059
+    1SOL     O4    4  -0.013815  -0.125066   0.163416
+    1SOL     H5    5   0.027279  -0.168177   0.088482
+    1SOL     H6    6  -0.020941  -0.033244   0.137336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046962  -0.165318  -0.106091
+    0SOL     H2    2   0.083267  -0.143048  -0.020368
+    0SOL     H3    3   0.118936  -0.150085  -0.167328
+    1SOL     O4    4  -0.048895   0.159339   0.108847
+    1SOL     H5    5  -0.073277   0.251793   0.113321
+    1SOL     H6    6  -0.094222   0.126292   0.031287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025506   0.136937  -0.166288
+    0SOL     H2    2   0.024352   0.075376  -0.220016
+    0SOL     H3    3  -0.009146   0.108909  -0.076237
+    1SOL     O4    4   0.015977  -0.131716   0.166055
+    1SOL     H5    5   0.076476  -0.061687   0.141596
+    1SOL     H6    6   0.067826  -0.211849   0.158791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015096  -0.172723   0.148155
+    0SOL     H2    2  -0.056501  -0.121830   0.110126
+    0SOL     H3    3   0.093068  -0.143393   0.101013
+    1SOL     O4    4  -0.014785   0.162607  -0.140274
+    1SOL     H5    5   0.055339   0.205799  -0.189053
+    1SOL     H6    6  -0.089748   0.221518  -0.148783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040765   0.110231  -0.182769
+    0SOL     H2    2   0.101466   0.182110  -0.200409
+    0SOL     H3    3   0.032041   0.065042  -0.266698
+    1SOL     O4    4  -0.049009  -0.109510   0.191533
+    1SOL     H5    5   0.010331  -0.174437   0.229290
+    1SOL     H6    6  -0.010742  -0.088726   0.106292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060284   0.121857  -0.181675
+    0SOL     H2    2   0.149088   0.086211  -0.179299
+    0SOL     H3    3   0.068292   0.208857  -0.142570
+    1SOL     O4    4  -0.062325  -0.121189   0.183567
+    1SOL     H5    5  -0.041909  -0.208924   0.151193
+    1SOL     H6    6  -0.144123  -0.097845   0.139677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062647  -0.070824  -0.204137
+    0SOL     H2    2  -0.009120  -0.132586  -0.190096
+    0SOL     H3    3   0.104158  -0.100294  -0.285197
+    1SOL     O4    4  -0.063769   0.078716   0.213136
+    1SOL     H5    5  -0.100263   0.013087   0.153778
+    1SOL     H6    6   0.024193   0.095423   0.179284
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111541   0.198708  -0.081069
+    0SOL     H2    2   0.170496   0.125727  -0.100051
+    0SOL     H3    3   0.035790   0.158047  -0.038989
+    1SOL     O4    4  -0.114512  -0.190944   0.084802
+    1SOL     H5    5  -0.038167  -0.248278   0.091629
+    1SOL     H6    6  -0.118711  -0.167511  -0.007911
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030518  -0.022721   0.259259
+    0SOL     H2    2   0.068678  -0.000772   0.174263
+    0SOL     H3    3   0.077632   0.032461   0.321688
+    1SOL     O4    4  -0.033771   0.016389  -0.251803
+    1SOL     H5    5  -0.005843  -0.022667  -0.334609
+    1SOL     H6    6  -0.094395   0.085934  -0.277310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067355  -0.202554  -0.155717
+    0SOL     H2    2   0.039792  -0.288786  -0.124625
+    0SOL     H3    3   0.162752  -0.208327  -0.161042
+    1SOL     O4    4  -0.069332   0.202218   0.155356
+    1SOL     H5    5  -0.011345   0.275764   0.135585
+    1SOL     H6    6  -0.157355   0.239752   0.153001
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039961   0.110855  -0.246597
+    0SOL     H2    2   0.107015   0.051055  -0.279612
+    0SOL     H3    3   0.059655   0.194562  -0.288639
+    1SOL     O4    4  -0.045773  -0.118842   0.247446
+    1SOL     H5    5  -0.103544  -0.082953   0.314802
+    1SOL     H6    6   0.023061  -0.053097   0.237350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088863   0.268713   0.038780
+    0SOL     H2    2   0.168786   0.281883   0.089782
+    0SOL     H3    3   0.022562   0.320697   0.084213
+    1SOL     O4    4  -0.093032  -0.270768  -0.050332
+    1SOL     H5    5   0.001399  -0.269190  -0.034758
+    1SOL     H6    6  -0.130137  -0.305721   0.030685
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023357  -0.292945   0.030482
+    0SOL     H2    2  -0.114145  -0.262921   0.026182
+    0SOL     H3    3  -0.012983  -0.349088  -0.046347
+    1SOL     O4    4   0.030932   0.295430  -0.019292
+    1SOL     H5    5  -0.011447   0.360797  -0.074911
+    1SOL     H6    6   0.025484   0.214083  -0.069443
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044346  -0.004707  -0.293359
+    0SOL     H2    2  -0.030328  -0.048854  -0.377125
+    0SOL     H3    3  -0.075677  -0.073668  -0.234834
+    1SOL     O4    4   0.041894   0.006485   0.299214
+    1SOL     H5    5   0.081781  -0.022626   0.217215
+    1SOL     H6    6   0.060375   0.100332   0.302901
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015142  -0.031020   0.293774
+    0SOL     H2    2  -0.076289  -0.046516   0.270056
+    0SOL     H3    3   0.012321  -0.008434   0.386748
+    1SOL     O4    4  -0.008420   0.036858  -0.300009
+    1SOL     H5    5  -0.091254  -0.005949  -0.278366
+    1SOL     H6    6   0.057762  -0.031119  -0.287301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004620   0.249003   0.244125
+    0SOL     H2    2   0.013927   0.281465   0.333690
+    0SOL     H3    3   0.002554   0.153738   0.253220
+    1SOL     O4    4   0.000730  -0.243171  -0.248109
+    1SOL     H5    5  -0.071909  -0.246874  -0.185883
+    1SOL     H6    6  -0.034832  -0.280496  -0.328760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018717   0.133752  -0.338263
+    0SOL     H2    2  -0.015843   0.055372  -0.380976
+    0SOL     H3    3  -0.019503   0.132098  -0.250520
+    1SOL     O4    4  -0.017155  -0.131488   0.329197
+    1SOL     H5    5   0.031518  -0.050425   0.344101
+    1SOL     H6    6  -0.023320  -0.172026   0.415689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.152897  -0.243656   0.232212
+    0SOL     H2    2   0.198409  -0.308486   0.285952
+    0SOL     H3    3   0.097352  -0.295486   0.173981
+    1SOL     O4    4  -0.157821   0.252347  -0.234834
+    1SOL     H5    5  -0.148177   0.207875  -0.150623
+    1SOL     H6    6  -0.068782   0.257499  -0.269589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085663   0.165049  -0.345376
+    0SOL     H2    2  -0.087050   0.157062  -0.250000
+    0SOL     H3    3  -0.060925   0.256104  -0.361477
+    1SOL     O4    4   0.086645  -0.167079   0.336390
+    1SOL     H5    5   0.012910  -0.135262   0.388479
+    1SOL     H6    6   0.112903  -0.248553   0.379225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.325701  -0.048764  -0.222493
+    0SOL     H2    2  -0.272989   0.005684  -0.164020
+    0SOL     H3    3  -0.282201  -0.134024  -0.221601
+    1SOL     O4    4   0.321412   0.049207   0.212616
+    1SOL     H5    5   0.325452  -0.017983   0.280671
+    1SOL     H6    6   0.304011   0.130465   0.260120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013718   0.508861  -0.133194
+    0SOL     H2    2  -0.029974   0.597108  -0.166517
+    0SOL     H3    3  -0.098208   0.464483  -0.140565
+    1SOL     O4    4   0.020039  -0.515384   0.140470
+    1SOL     H5    5  -0.059964  -0.475455   0.106301
+    1SOL     H6    6   0.089769  -0.480966   0.084654
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099572  -0.520771  -0.217849
+    0SOL     H2    2  -0.033300  -0.452680  -0.206276
+    0SOL     H3    3  -0.174170  -0.490726  -0.165938
+    1SOL     O4    4   0.098328   0.511381   0.218623
+    1SOL     H5    5   0.038866   0.567346   0.168678
+    1SOL     H6    6   0.185466   0.533722   0.185909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062477   0.360252  -0.493009
+    0SOL     H2    2   0.062172   0.264951  -0.501950
+    0SOL     H3    3   0.056421   0.392801  -0.582821
+    1SOL     O4    4  -0.057284  -0.359520   0.495811
+    1SOL     H5    5  -0.086040  -0.269389   0.481257
+    1SOL     H6    6  -0.124326  -0.397192   0.552807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.619860   0.128661   0.144428
+    0SOL     H2    2  -0.599478   0.035718   0.134018
+    0SOL     H3    3  -0.691175   0.144660   0.082617
+    1SOL     O4    4   0.618930  -0.130022  -0.143556
+    1SOL     H5    5   0.670778  -0.064099  -0.189689
+    1SOL     H6    6   0.629182  -0.108118  -0.050941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139509  -0.688284   0.141478
+    0SOL     H2    2   0.228277  -0.663323   0.167159
+    0SOL     H3    3   0.115260  -0.757437   0.203059
+    1SOL     O4    4  -0.147565   0.686314  -0.143412
+    1SOL     H5    5  -0.054761   0.691336  -0.120512
+    1SOL     H6    6  -0.159228   0.752997  -0.211085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.368207   0.570314   0.309675
+    0SOL     H2    2  -0.330831   0.504396   0.251193
+    0SOL     H3    3  -0.456885   0.584333   0.276480
+    1SOL     O4    4   0.368521  -0.571619  -0.309477
+    1SOL     H5    5   0.359625  -0.476326  -0.307886
+    1SOL     H6    6   0.416041  -0.592631  -0.229086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.566011   0.430295  -0.508065
+    0SOL     H2    2   0.488375   0.459132  -0.556058
+    0SOL     H3    3   0.630429   0.499545  -0.522797
+    1SOL     O4    4  -0.565216  -0.440144   0.516612
+    1SOL     H5    5  -0.637915  -0.386622   0.484793
+    1SOL     H6    6  -0.492020  -0.417829   0.459108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.940375  -0.086723   0.273346
+    0SOL     H2    2  -0.894957  -0.164960   0.242066
+    0SOL     H3    3  -1.033323  -0.107514   0.263830
+    1SOL     O4    4   0.944180   0.085390  -0.267962
+    1SOL     H5    5   0.984800   0.118753  -0.347957
+    1SOL     H6    6   0.882756   0.153992  -0.241824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.899652  -0.510614   0.126969
+    0SOL     H2    2   0.865090  -0.573927   0.064046
+    0SOL     H3    3   0.990661  -0.497549   0.100342
+    1SOL     O4    4  -0.906773   0.509153  -0.118512
+    1SOL     H5    5  -0.834282   0.563324  -0.087320
+    1SOL     H6    6  -0.908708   0.523793  -0.213086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/370K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   1.015810  -0.261134   0.151825
+    0SOL     H2    2   1.038808  -0.281532   0.242475
+    0SOL     H3    3   0.965278  -0.180040   0.157552
+    1SOL     O4    4  -1.013697   0.253560  -0.160823
+    1SOL     H5    5  -1.050092   0.247904  -0.072473
+    1SOL     H6    6  -0.990652   0.345858  -0.171421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001738  -0.035221   0.123399
+    0SOL     H2    2   0.073174   0.015144   0.155242
+    0SOL     H3    3   0.034932  -0.120414   0.099739
+    1SOL     O4    4  -0.010334   0.037151  -0.128432
+    1SOL     H5    5  -0.012734   0.024741  -0.033550
+    1SOL     H6    6   0.082003   0.052726  -0.148270
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021183  -0.013709   0.134978
+    0SOL     H2    2   0.072738  -0.091130   0.112389
+    0SOL     H3    3   0.000700   0.026897   0.050752
+    1SOL     O4    4  -0.019917   0.015761  -0.123112
+    1SOL     H5    5  -0.095495  -0.037308  -0.148290
+    1SOL     H6    6  -0.006662   0.075204  -0.196957
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021413  -0.111484   0.053769
+    0SOL     H2    2  -0.034786  -0.134771   0.127673
+    0SOL     H3    3   0.091415  -0.176749   0.055353
+    1SOL     O4    4  -0.022968   0.118672  -0.063485
+    1SOL     H5    5  -0.006363   0.027264  -0.040435
+    1SOL     H6    6  -0.027534   0.164177   0.020603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040561  -0.064421  -0.113070
+    0SOL     H2    2   0.061579   0.014781  -0.162543
+    0SOL     H3    3   0.040961  -0.036367  -0.021554
+    1SOL     O4    4  -0.035596   0.056281   0.113798
+    1SOL     H5    5  -0.114797   0.004769   0.098431
+    1SOL     H6    6  -0.057852   0.144215   0.083226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002431   0.128074   0.018176
+    0SOL     H2    2  -0.083292   0.118371   0.068471
+    0SOL     H3    3   0.053936   0.182102   0.073548
+    1SOL     O4    4   0.007712  -0.135703  -0.022723
+    1SOL     H5    5  -0.072300  -0.140441  -0.075048
+    1SOL     H6    6   0.018365  -0.042530  -0.003548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009808   0.124694   0.031958
+    0SOL     H2    2  -0.064637   0.184615   0.026496
+    0SOL     H3    3   0.042618   0.135260   0.121256
+    1SOL     O4    4  -0.012163  -0.134431  -0.036602
+    1SOL     H5    5   0.074210  -0.133366  -0.077842
+    1SOL     H6    6  -0.022519  -0.046462  -0.000318
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.096846  -0.092349   0.004210
+    0SOL     H2    2   0.087887  -0.132422  -0.082255
+    0SOL     H3    3   0.034704  -0.139966   0.059285
+    1SOL     O4    4  -0.096566   0.096246   0.003194
+    1SOL     H5    5  -0.006912   0.066863  -0.012964
+    1SOL     H6    6  -0.121227   0.143050  -0.076577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119114  -0.055270  -0.006058
+    0SOL     H2    2  -0.199639  -0.032399   0.040363
+    0SOL     H3    3  -0.136363  -0.031519  -0.097166
+    1SOL     O4    4   0.126566   0.051480   0.001425
+    1SOL     H5    5   0.043982   0.020526   0.038627
+    1SOL     H6    6   0.165758   0.104515   0.070806
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075998  -0.003001   0.112918
+    0SOL     H2    2   0.054184   0.019066   0.203470
+    0SOL     H3    3  -0.008539  -0.007260   0.068223
+    1SOL     O4    4  -0.076023   0.001837  -0.113422
+    1SOL     H5    5  -0.025083   0.081956  -0.125601
+    1SOL     H6    6  -0.016604  -0.068565  -0.139411
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006996  -0.117976  -0.053291
+    0SOL     H2    2   0.050456  -0.187765  -0.021808
+    0SOL     H3    3  -0.024367  -0.140583  -0.144667
+    1SOL     O4    4   0.007425   0.127083   0.062891
+    1SOL     H5    5  -0.041675   0.162156  -0.011416
+    1SOL     H6    6   0.015487   0.033528   0.044320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069895   0.089191   0.068623
+    0SOL     H2    2   0.154921   0.046333   0.058825
+    0SOL     H3    3   0.084666   0.178925   0.038757
+    1SOL     O4    4  -0.075553  -0.096535  -0.071018
+    1SOL     H5    5  -0.154753  -0.053815  -0.038389
+    1SOL     H6    6  -0.004764  -0.059146  -0.018548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048024  -0.114913   0.063437
+    0SOL     H2    2  -0.023494  -0.199030   0.024903
+    0SOL     H3    3   0.005733  -0.050694   0.017085
+    1SOL     O4    4   0.046754   0.109917  -0.057510
+    1SOL     H5    5   0.033080   0.177231   0.009155
+    1SOL     H6    6   0.003996   0.144635  -0.135796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085030  -0.023436   0.110340
+    0SOL     H2    2   0.098391  -0.116857   0.126350
+    0SOL     H3    3   0.024112  -0.020200   0.036578
+    1SOL     O4    4  -0.078589   0.030368  -0.101200
+    1SOL     H5    5  -0.059767  -0.031232  -0.172007
+    1SOL     H6    6  -0.163319   0.068401  -0.124368
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119468  -0.075574   0.012805
+    0SOL     H2    2  -0.032466  -0.042327  -0.009279
+    0SOL     H3    3  -0.103510  -0.163291   0.047639
+    1SOL     O4    4   0.107668   0.077792  -0.017124
+    1SOL     H5    5   0.112654   0.088238   0.077893
+    1SOL     H6    6   0.198433   0.084420  -0.046792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094418  -0.109468  -0.007833
+    0SOL     H2    2  -0.137375  -0.063539   0.064331
+    0SOL     H3    3  -0.014975  -0.058785  -0.024633
+    1SOL     O4    4   0.091270   0.096887   0.002037
+    1SOL     H5    5   0.069553   0.178160  -0.043629
+    1SOL     H6    6   0.126487   0.125406   0.086350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056237   0.095545  -0.089527
+    0SOL     H2    2   0.031818   0.017234  -0.040197
+    0SOL     H3    3  -0.005752   0.098296  -0.162411
+    1SOL     O4    4  -0.048722  -0.088450   0.086532
+    1SOL     H5    5  -0.060030  -0.062297   0.177914
+    1SOL     H6    6  -0.092707  -0.173230   0.080214
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044627  -0.132956   0.020244
+    0SOL     H2    2  -0.010135  -0.204256  -0.033505
+    0SOL     H3    3  -0.058282  -0.060938  -0.041313
+    1SOL     O4    4   0.039141   0.136318  -0.010817
+    1SOL     H5    5   0.074492   0.145878  -0.099255
+    1SOL     H6    6   0.084508   0.060043   0.025046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071823   0.086682  -0.086560
+    0SOL     H2    2   0.033353   0.005391  -0.119336
+    0SOL     H3    3   0.007403   0.154118  -0.108115
+    1SOL     O4    4  -0.072147  -0.087182   0.087080
+    1SOL     H5    5  -0.025540  -0.139129   0.152591
+    1SOL     H6    6  -0.011851  -0.016029   0.065538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051876  -0.003297   0.126532
+    0SOL     H2    2   0.031017   0.077098   0.174112
+    0SOL     H3    3   0.002891  -0.071645   0.172263
+    1SOL     O4    4  -0.047092   0.004584  -0.138627
+    1SOL     H5    5  -0.121433  -0.020069  -0.083600
+    1SOL     H6    6   0.029153  -0.004632  -0.081494
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.086882  -0.102049   0.055128
+    0SOL     H2    2   0.174266  -0.063066   0.052545
+    0SOL     H3    3   0.027326  -0.028384   0.041390
+    1SOL     O4    4  -0.085755   0.089484  -0.056084
+    1SOL     H5    5  -0.168151   0.110572  -0.012168
+    1SOL     H6    6  -0.043566   0.174278  -0.069953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062737  -0.035557   0.123793
+    0SOL     H2    2  -0.069162   0.028972   0.194200
+    0SOL     H3    3  -0.023381   0.012339   0.050859
+    1SOL     O4    4   0.055258   0.032839  -0.123146
+    1SOL     H5    5   0.072353  -0.060817  -0.133078
+    1SOL     H6    6   0.141886   0.073466  -0.125855
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010911  -0.126906  -0.049298
+    0SOL     H2    2  -0.010775  -0.092473  -0.135937
+    0SOL     H3    3   0.055147  -0.209954  -0.066861
+    1SOL     O4    4  -0.018270   0.131782   0.052729
+    1SOL     H5    5   0.021817   0.166194   0.132549
+    1SOL     H6    6   0.044406   0.067075   0.020370
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074308   0.121188  -0.034628
+    0SOL     H2    2  -0.044930   0.135066  -0.124665
+    0SOL     H3    3  -0.036571   0.036794  -0.009810
+    1SOL     O4    4   0.067399  -0.111437   0.038635
+    1SOL     H5    5   0.045434  -0.184750  -0.018855
+    1SOL     H6    6   0.144553  -0.141079   0.086915
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024067  -0.085756   0.115556
+    0SOL     H2    2   0.002395  -0.042854   0.032779
+    0SOL     H3    3  -0.042876  -0.153407   0.125771
+    1SOL     O4    4  -0.021149   0.086782  -0.104636
+    1SOL     H5    5  -0.052077   0.042912  -0.183891
+    1SOL     H6    6   0.054064   0.138425  -0.133589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030266  -0.130839   0.054622
+    0SOL     H2    2  -0.110926  -0.159749   0.097289
+    0SOL     H3    3  -0.038130  -0.035532   0.050494
+    1SOL     O4    4   0.028100   0.127051  -0.058075
+    1SOL     H5    5   0.074100   0.189146  -0.001590
+    1SOL     H6    6   0.096726   0.068751  -0.090539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067292   0.113946  -0.048039
+    0SOL     H2    2   0.117240   0.145485   0.027280
+    0SOL     H3    3   0.133801   0.089092  -0.112236
+    1SOL     O4    4  -0.071014  -0.119812   0.050687
+    1SOL     H5    5  -0.159410  -0.083938   0.042835
+    1SOL     H6    6  -0.015798  -0.058377   0.002322
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018090  -0.038269   0.142629
+    0SOL     H2    2  -0.018370  -0.017103   0.049279
+    0SOL     H3    3   0.049772   0.018076   0.179809
+    1SOL     O4    4   0.014052   0.036157  -0.133613
+    1SOL     H5    5  -0.047890   0.054791  -0.204170
+    1SOL     H6    6   0.077978  -0.023292  -0.172875
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020774  -0.024923  -0.135626
+    0SOL     H2    2  -0.007912   0.043753  -0.201053
+    0SOL     H3    3  -0.110603  -0.054877  -0.149617
+    1SOL     O4    4   0.021383   0.018608   0.144545
+    1SOL     H5    5   0.088640   0.082353   0.168532
+    1SOL     H6    6   0.018185   0.021922   0.048936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016714  -0.101301  -0.093509
+    0SOL     H2    2  -0.101030  -0.146054  -0.100600
+    0SOL     H3    3   0.048171  -0.169415  -0.111194
+    1SOL     O4    4   0.023565   0.108674   0.097931
+    1SOL     H5    5  -0.049214   0.170456   0.090966
+    1SOL     H6    6  -0.007800   0.029597   0.054054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100362  -0.064482  -0.089588
+    0SOL     H2    2  -0.177270  -0.007638  -0.093618
+    0SOL     H3    3  -0.037003  -0.015455  -0.037202
+    1SOL     O4    4   0.097335   0.057836   0.080624
+    1SOL     H5    5   0.103249  -0.011612   0.146231
+    1SOL     H6    6   0.152068   0.128307   0.115273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.130974   0.033085   0.037947
+    0SOL     H2    2   0.144530   0.112906  -0.013114
+    0SOL     H3    3   0.164637   0.054281   0.125009
+    1SOL     O4    4  -0.139339  -0.042078  -0.038452
+    1SOL     H5    5  -0.107114  -0.022894  -0.126519
+    1SOL     H6    6  -0.072348  -0.006455   0.019905
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052668  -0.016301   0.137216
+    0SOL     H2    2   0.014885   0.013264   0.054386
+    0SOL     H3    3   0.064009   0.063807   0.188368
+    1SOL     O4    4  -0.045371   0.008265  -0.131164
+    1SOL     H5    5  -0.119564  -0.047940  -0.153496
+    1SOL     H6    6  -0.063921   0.091156  -0.175292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064286  -0.125077  -0.044432
+    0SOL     H2    2   0.119864  -0.172225   0.017621
+    0SOL     H3    3   0.016952  -0.061510   0.009243
+    1SOL     O4    4  -0.064433   0.118015   0.039563
+    1SOL     H5    5  -0.011775   0.188516   0.077233
+    1SOL     H6    6  -0.122675   0.162017  -0.022356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061543  -0.134321  -0.023865
+    0SOL     H2    2  -0.016763  -0.050444  -0.012835
+    0SOL     H3    3  -0.046694  -0.180488   0.058661
+    1SOL     O4    4   0.063428   0.128776   0.016074
+    1SOL     H5    5   0.065093   0.198603   0.081524
+    1SOL     H6    6  -0.028963   0.120073  -0.007389
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.117180   0.027933   0.090341
+    0SOL     H2    2  -0.072901   0.063218   0.167521
+    0SOL     H3    3  -0.048597   0.022305   0.023804
+    1SOL     O4    4   0.108735  -0.027295  -0.083927
+    1SOL     H5    5   0.084325  -0.110994  -0.123434
+    1SOL     H6    6   0.156364   0.018843  -0.152957
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126808   0.028934  -0.066145
+    0SOL     H2    2  -0.070417   0.082331  -0.122103
+    0SOL     H3    3  -0.136956  -0.053405  -0.113891
+    1SOL     O4    4   0.126301  -0.028956   0.077854
+    1SOL     H5    5   0.182999  -0.002406   0.005447
+    1SOL     H6    6   0.038074  -0.028302   0.040733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047200   0.140764   0.007457
+    0SOL     H2    2  -0.013046   0.214535  -0.002048
+    0SOL     H3    3  -0.005126   0.063945  -0.015417
+    1SOL     O4    4  -0.034905  -0.137386  -0.008132
+    1SOL     H5    5  -0.119799  -0.150344  -0.050410
+    1SOL     H6    6  -0.044211  -0.178904   0.077612
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028306   0.017415   0.149779
+    0SOL     H2    2  -0.081031   0.075597   0.095032
+    0SOL     H3    3   0.025881  -0.031340   0.087739
+    1SOL     O4    4   0.034209  -0.019721  -0.139051
+    1SOL     H5    5  -0.035459   0.041183  -0.114569
+    1SOL     H6    6   0.009001  -0.051408  -0.225786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.121314  -0.075513   0.030980
+    0SOL     H2    2  -0.143313  -0.149447  -0.025696
+    0SOL     H3    3  -0.055162  -0.110070   0.090913
+    1SOL     O4    4   0.125244   0.079835  -0.033633
+    1SOL     H5    5   0.105116   0.140320   0.037772
+    1SOL     H6    6   0.040545   0.042554  -0.058100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002749   0.141803   0.010686
+    0SOL     H2    2   0.027641   0.184248  -0.071419
+    0SOL     H3    3   0.003059   0.212445   0.075277
+    1SOL     O4    4  -0.005660  -0.152119  -0.004167
+    1SOL     H5    5   0.011830  -0.058013  -0.004812
+    1SOL     H6    6   0.001640  -0.178515  -0.095886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037511  -0.038928   0.144630
+    0SOL     H2    2   0.030047   0.027907   0.133169
+    0SOL     H3    3  -0.085292  -0.039224   0.061689
+    1SOL     O4    4   0.030788   0.036446  -0.137302
+    1SOL     H5    5   0.063450  -0.050067  -0.162022
+    1SOL     H6    6   0.102184   0.096260  -0.159373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022434  -0.032552   0.143152
+    0SOL     H2    2  -0.023648   0.047203   0.169187
+    0SOL     H3    3  -0.042338  -0.102231   0.153726
+    1SOL     O4    4  -0.021431   0.032023  -0.146219
+    1SOL     H5    5   0.044702   0.054367  -0.211712
+    1SOL     H6    6   0.028878   0.010568  -0.067663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013659   0.095968  -0.120138
+    0SOL     H2    2  -0.002894   0.038637  -0.045295
+    0SOL     H3    3   0.010089   0.184463  -0.083832
+    1SOL     O4    4  -0.011510  -0.092006   0.109035
+    1SOL     H5    5  -0.060142  -0.099890   0.191102
+    1SOL     H6    6   0.024476  -0.179415   0.093971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030015   0.019641   0.152581
+    0SOL     H2    2   0.121942   0.006975   0.129103
+    0SOL     H3    3  -0.015513   0.026180   0.068636
+    1SOL     O4    4  -0.036082  -0.019107  -0.141055
+    1SOL     H5    5   0.029048  -0.083848  -0.168056
+    1SOL     H6    6  -0.039349   0.043320  -0.213543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052355  -0.001653   0.138816
+    0SOL     H2    2   0.003906  -0.077588   0.171201
+    0SOL     H3    3   0.025913   0.070050   0.196451
+    1SOL     O4    4  -0.047204  -0.004406  -0.146008
+    1SOL     H5    5  -0.053847   0.031474  -0.057517
+    1SOL     H6    6  -0.052145   0.072078  -0.203350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088180  -0.021722  -0.128461
+    0SOL     H2    2  -0.061749  -0.064512  -0.047020
+    0SOL     H3    3  -0.107875   0.068402  -0.102924
+    1SOL     O4    4   0.085273   0.024370   0.120120
+    1SOL     H5    5   0.146335  -0.036959   0.079225
+    1SOL     H6    6   0.070230  -0.011478   0.207590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038730  -0.126047   0.086189
+    0SOL     H2    2  -0.082305  -0.051487   0.044906
+    0SOL     H3    3   0.033926  -0.087349   0.135034
+    1SOL     O4    4   0.042762   0.119533  -0.081590
+    1SOL     H5    5  -0.046365   0.151970  -0.068688
+    1SOL     H6    6   0.045186   0.091801  -0.173172
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099676   0.110464  -0.008380
+    0SOL     H2    2  -0.037639   0.181854  -0.023115
+    0SOL     H3    3  -0.156262   0.142004   0.062087
+    1SOL     O4    4   0.095487  -0.119480   0.002247
+    1SOL     H5    5   0.074833  -0.027504   0.018865
+    1SOL     H6    6   0.177143  -0.134713   0.049813
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046916   0.054028   0.142966
+    0SOL     H2    2  -0.131650   0.025017   0.109189
+    0SOL     H3    3   0.016543   0.023154   0.078297
+    1SOL     O4    4   0.042803  -0.051178  -0.133901
+    1SOL     H5    5   0.102524  -0.122096  -0.157699
+    1SOL     H6    6   0.083153   0.027498  -0.170564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.143601   0.056115   0.011789
+    0SOL     H2    2  -0.092225   0.001255  -0.047484
+    0SOL     H3    3  -0.234446   0.041285  -0.014472
+    1SOL     O4    4   0.144013  -0.047874  -0.012019
+    1SOL     H5    5   0.098516  -0.122916   0.026205
+    1SOL     H6    6   0.224341  -0.039772   0.039402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.082296  -0.121938  -0.059470
+    0SOL     H2    2   0.054199  -0.045573  -0.009058
+    0SOL     H3    3   0.155089  -0.090024  -0.112810
+    1SOL     O4    4  -0.086491   0.110110   0.062340
+    1SOL     H5    5  -0.031541   0.179962   0.097887
+    1SOL     H6    6  -0.115053   0.143056  -0.022872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005005   0.139768  -0.080034
+    0SOL     H2    2   0.038483   0.076779  -0.022558
+    0SOL     H3    3  -0.028737   0.212427  -0.022416
+    1SOL     O4    4   0.008613  -0.135626   0.073051
+    1SOL     H5    5  -0.056603  -0.148493   0.141925
+    1SOL     H6    6  -0.010476  -0.204006   0.008848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043295  -0.036581  -0.144281
+    0SOL     H2    2  -0.082778   0.030874  -0.199536
+    0SOL     H3    3   0.016609  -0.083284  -0.202528
+    1SOL     O4    4   0.043852   0.031847   0.156439
+    1SOL     H5    5   0.018227   0.123954   0.151745
+    1SOL     H6    6   0.040977   0.001483   0.065708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.143742  -0.018665  -0.083369
+    0SOL     H2    2  -0.080633   0.032097  -0.032351
+    0SOL     H3    3  -0.119001  -0.003077  -0.174512
+    1SOL     O4    4   0.139562   0.011352   0.079622
+    1SOL     H5    5   0.089558  -0.023960   0.153209
+    1SOL     H6    6   0.169331   0.097168   0.109814
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084844  -0.148421   0.012859
+    0SOL     H2    2  -0.059182  -0.081731   0.076549
+    0SOL     H3    3  -0.054465  -0.114246  -0.071234
+    1SOL     O4    4   0.085179   0.142801  -0.006252
+    1SOL     H5    5   0.027852   0.211254  -0.040750
+    1SOL     H6    6   0.076901   0.070799  -0.068779
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006835  -0.168508   0.027088
+    0SOL     H2    2  -0.097710  -0.140997   0.014954
+    0SOL     H3    3   0.038157  -0.089819   0.057849
+    1SOL     O4    4   0.008300   0.164066  -0.021706
+    1SOL     H5    5  -0.046913   0.185442  -0.096918
+    1SOL     H6    6   0.085733   0.122634  -0.059783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035052  -0.156960   0.047833
+    0SOL     H2    2  -0.022293  -0.093908   0.118713
+    0SOL     H3    3   0.043297  -0.211898   0.050191
+    1SOL     O4    4   0.034302   0.159986  -0.048535
+    1SOL     H5    5  -0.005620   0.075182  -0.029124
+    1SOL     H6    6  -0.004893   0.186479  -0.131747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032031  -0.147696   0.086156
+    0SOL     H2    2   0.043747  -0.108585   0.172732
+    0SOL     H3    3   0.086601  -0.094523   0.028216
+    1SOL     O4    4  -0.030027   0.139827  -0.086475
+    1SOL     H5    5  -0.050566   0.213741  -0.143722
+    1SOL     H6    6  -0.115255   0.108608  -0.056079
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018705   0.173093  -0.003093
+    0SOL     H2    2  -0.048217   0.106371  -0.065057
+    0SOL     H3    3  -0.099258   0.214909   0.027319
+    1SOL     O4    4   0.025965  -0.167248  -0.000422
+    1SOL     H5    5  -0.046960  -0.222584   0.027543
+    1SOL     H6    6   0.094765  -0.183831   0.064028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.165842   0.060479  -0.019958
+    0SOL     H2    2   0.086848   0.039098  -0.069608
+    0SOL     H3    3   0.237923   0.031719  -0.075989
+    1SOL     O4    4  -0.163106  -0.055746   0.032084
+    1SOL     H5    5  -0.235390  -0.114674   0.010523
+    1SOL     H6    6  -0.129465  -0.026977  -0.052786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094476  -0.149361   0.049531
+    0SOL     H2    2   0.035167  -0.108123  -0.013271
+    0SOL     H3    3   0.055068  -0.131661   0.134948
+    1SOL     O4    4  -0.085491   0.144717  -0.046345
+    1SOL     H5    5  -0.071630   0.204873  -0.119499
+    1SOL     H6    6  -0.176315   0.116001  -0.055766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135299   0.100631  -0.064025
+    0SOL     H2    2   0.131466   0.009440  -0.035183
+    0SOL     H3    3   0.219940   0.108337  -0.108058
+    1SOL     O4    4  -0.134970  -0.097155   0.060118
+    1SOL     H5    5  -0.137003  -0.124724   0.151759
+    1SOL     H6    6  -0.215311  -0.046426   0.048530
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085689   0.104598   0.125486
+    0SOL     H2    2   0.041331   0.182306   0.091485
+    0SOL     H3    3   0.071862   0.108550   0.220119
+    1SOL     O4    4  -0.081605  -0.110199  -0.135025
+    1SOL     H5    5  -0.028719  -0.134400  -0.059000
+    1SOL     H6    6  -0.154723  -0.060369  -0.098514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019079   0.119178  -0.145396
+    0SOL     H2    2  -0.032856   0.054302  -0.214415
+    0SOL     H3    3  -0.099984   0.117379  -0.094274
+    1SOL     O4    4   0.024514  -0.112399   0.152487
+    1SOL     H5    5  -0.006995  -0.199531   0.128458
+    1SOL     H6    6   0.057049  -0.075194   0.070514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031554  -0.105841   0.158996
+    0SOL     H2    2   0.043221  -0.163618   0.143737
+    0SOL     H3    3  -0.031221  -0.045934   0.084341
+    1SOL     O4    4   0.028558   0.100215  -0.151111
+    1SOL     H5    5   0.009132   0.184330  -0.109764
+    1SOL     H6    6   0.027707   0.118856  -0.244994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115338   0.153308   0.034223
+    0SOL     H2    2  -0.160859   0.096204   0.096104
+    0SOL     H3    3  -0.052654   0.095887  -0.009776
+    1SOL     O4    4   0.109293  -0.150785  -0.033369
+    1SOL     H5    5   0.141930  -0.073247   0.012293
+    1SOL     H6    6   0.170335  -0.163316  -0.106027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085191   0.042047  -0.169912
+    0SOL     H2    2   0.091015   0.038848  -0.265401
+    0SOL     H3    3   0.118207  -0.043018  -0.140992
+    1SOL     O4    4  -0.089519  -0.035199   0.180447
+    1SOL     H5    5  -0.011312  -0.084119   0.154895
+    1SOL     H6    6  -0.134345  -0.016789   0.097900
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014843   0.116167  -0.180042
+    0SOL     H2    2  -0.063638   0.040925  -0.146575
+    0SOL     H3    3   0.044824   0.079085  -0.245058
+    1SOL     O4    4   0.017221  -0.106326   0.175851
+    1SOL     H5    5  -0.035443  -0.060522   0.241355
+    1SOL     H6    6   0.023778  -0.195978   0.208743
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022619   0.085303  -0.187837
+    0SOL     H2    2  -0.015108   0.088112  -0.283220
+    0SOL     H3    3  -0.099485   0.138870  -0.168228
+    1SOL     O4    4   0.029154  -0.085415   0.186644
+    1SOL     H5    5  -0.041008  -0.059455   0.246357
+    1SOL     H6    6   0.063530  -0.166623   0.223870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049401   0.045247  -0.217246
+    0SOL     H2    2  -0.077056   0.013353  -0.131338
+    0SOL     H3    3   0.033065  -0.000249  -0.234330
+    1SOL     O4    4   0.045397  -0.046914   0.213631
+    1SOL     H5    5   0.001139   0.014227   0.154764
+    1SOL     H6    6   0.105252   0.007802   0.264483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048515   0.133818   0.168966
+    0SOL     H2    2  -0.020236   0.149538   0.259052
+    0SOL     H3    3  -0.076154   0.042179   0.168135
+    1SOL     O4    4   0.042596  -0.130703  -0.176406
+    1SOL     H5    5   0.082127  -0.157266  -0.093376
+    1SOL     H6    6   0.112935  -0.085647  -0.223148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062492  -0.168450  -0.141406
+    0SOL     H2    2  -0.081537  -0.078293  -0.115497
+    0SOL     H3    3  -0.053976  -0.215896  -0.058709
+    1SOL     O4    4   0.069274   0.164051   0.134787
+    1SOL     H5    5  -0.009123   0.110802   0.121340
+    1SOL     H6    6   0.036015   0.252843   0.147907
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106231  -0.183879  -0.094759
+    0SOL     H2    2   0.197288  -0.183298  -0.065252
+    0SOL     H3    3   0.055181  -0.196762  -0.014820
+    1SOL     O4    4  -0.113121   0.188029   0.085252
+    1SOL     H5    5  -0.052704   0.218713   0.152858
+    1SOL     H6    6  -0.091691   0.095400   0.074163
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022299   0.208237   0.122466
+    0SOL     H2    2   0.048786   0.145660   0.108563
+    0SOL     H3    3  -0.050895   0.192472   0.212444
+    1SOL     O4    4   0.024721  -0.208949  -0.125780
+    1SOL     H5    5  -0.064098  -0.209179  -0.090094
+    1SOL     H6    6   0.032324  -0.124759  -0.170687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086159   0.033481  -0.228642
+    0SOL     H2    2  -0.050684   0.016410  -0.315891
+    0SOL     H3    3  -0.033920   0.106453  -0.195350
+    1SOL     O4    4   0.080693  -0.043221   0.230279
+    1SOL     H5    5   0.117472  -0.001344   0.308099
+    1SOL     H6    6   0.049520   0.029475   0.176373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135156  -0.192093  -0.060662
+    0SOL     H2    2  -0.158384  -0.284921  -0.063050
+    0SOL     H3    3  -0.195314  -0.150702  -0.122550
+    1SOL     O4    4   0.138851   0.193800   0.057482
+    1SOL     H5    5   0.217882   0.179196   0.109474
+    1SOL     H6    6   0.077551   0.235331   0.118144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.210157   0.033435   0.133677
+    0SOL     H2    2   0.136597   0.073728   0.087549
+    0SOL     H3    3   0.242946   0.102383   0.191413
+    1SOL     O4    4  -0.204207  -0.041945  -0.139036
+    1SOL     H5    5  -0.204643   0.044893  -0.098771
+    1SOL     H6    6  -0.269269  -0.091695  -0.089496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068948  -0.185635  -0.170671
+    0SOL     H2    2   0.056826  -0.097510  -0.135324
+    0SOL     H3    3   0.086351  -0.171956  -0.263796
+    1SOL     O4    4  -0.070428   0.177214   0.180923
+    1SOL     H5    5  -0.041862   0.126198   0.105136
+    1SOL     H6    6  -0.080506   0.266323   0.147451
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016898  -0.013125   0.277072
+    0SOL     H2    2   0.021233   0.016396   0.186121
+    0SOL     H3    3   0.039456   0.064355   0.328553
+    1SOL     O4    4  -0.018909   0.001821  -0.272857
+    1SOL     H5    5  -0.090230   0.061901  -0.294442
+    1SOL     H6    6   0.060709   0.050229  -0.294767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017968   0.195054   0.254639
+    0SOL     H2    2  -0.075440   0.209116   0.239161
+    0SOL     H3    3   0.044411   0.268429   0.310130
+    1SOL     O4    4  -0.014887  -0.203718  -0.260672
+    1SOL     H5    5  -0.043071  -0.112556  -0.268253
+    1SOL     H6    6   0.023493  -0.209775  -0.173193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036608   0.215289   0.243485
+    0SOL     H2    2   0.031236   0.221040   0.338881
+    0SOL     H3    3  -0.021393   0.142689   0.220515
+    1SOL     O4    4  -0.031664  -0.211340  -0.240800
+    1SOL     H5    5  -0.010949  -0.276266  -0.308015
+    1SOL     H6    6  -0.080132  -0.143199  -0.287383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.081658  -0.234012  -0.229015
+    0SOL     H2    2  -0.134389  -0.158524  -0.255155
+    0SOL     H3    3   0.008824  -0.203430  -0.235340
+    1SOL     O4    4   0.079621   0.225289   0.224960
+    1SOL     H5    5   0.151894   0.219959   0.287495
+    1SOL     H6    6   0.016280   0.283864   0.266423
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056184   0.330175   0.073356
+    0SOL     H2    2   0.065365   0.398001   0.006441
+    0SOL     H3    3  -0.037276   0.329338   0.094015
+    1SOL     O4    4  -0.052752  -0.329103  -0.066925
+    1SOL     H5    5  -0.057295  -0.333915  -0.162416
+    1SOL     H6    6  -0.023785  -0.416226  -0.039856
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028076  -0.006616   0.391353
+    0SOL     H2    2  -0.097910   0.014140   0.329266
+    0SOL     H3    3   0.051607  -0.007801   0.338330
+    1SOL     O4    4   0.029371   0.000012  -0.387989
+    1SOL     H5    5  -0.031010   0.003062  -0.313779
+    1SOL     H6    6   0.056705   0.090897  -0.400439
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029187  -0.382048  -0.056335
+    0SOL     H2    2   0.076558  -0.456237  -0.018728
+    0SOL     H3    3   0.076439  -0.361849  -0.137091
+    1SOL     O4    4  -0.037928   0.389611   0.054834
+    1SOL     H5    5   0.024620   0.408509   0.124783
+    1SOL     H6    6  -0.040831   0.294038   0.050410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118206   0.329033   0.194441
+    0SOL     H2    2  -0.065479   0.399713   0.157203
+    0SOL     H3    3  -0.133414   0.269296   0.121212
+    1SOL     O4    4   0.112636  -0.329316  -0.182593
+    1SOL     H5    5   0.150085  -0.409448  -0.219181
+    1SOL     H6    6   0.135294  -0.261166  -0.245874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036121  -0.412528   0.286863
+    0SOL     H2    2  -0.090407  -0.378221   0.357845
+    0SOL     H3    3  -0.004069  -0.496560   0.319628
+    1SOL     O4    4   0.032907   0.412332  -0.296398
+    1SOL     H5    5   0.124373   0.387964  -0.282166
+    1SOL     H6    6   0.023133   0.496221  -0.251348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.447058   0.342263  -0.151552
+    0SOL     H2    2   0.521255   0.297672  -0.110702
+    0SOL     H3    3   0.421435   0.284951  -0.223808
+    1SOL     O4    4  -0.455074  -0.340677   0.154792
+    1SOL     H5    5  -0.363343  -0.353247   0.179079
+    1SOL     H6    6  -0.455844  -0.258555   0.105621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.629957  -0.451823   0.094974
+    0SOL     H2    2   0.580304  -0.373475   0.071340
+    0SOL     H3    3   0.570577  -0.524479   0.076064
+    1SOL     O4    4  -0.627740   0.446980  -0.093667
+    1SOL     H5    5  -0.532701   0.452394  -0.103688
+    1SOL     H6    6  -0.653638   0.533907  -0.063084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/380K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.716251  -0.515583   0.212285
+    0SOL     H2    2  -0.639325  -0.542433   0.162048
+    0SOL     H3    3  -0.680409  -0.471954   0.289578
+    1SOL     O4    4   0.713866   0.521052  -0.212071
+    1SOL     H5    5   0.745410   0.434109  -0.187408
+    1SOL     H6    6   0.635750   0.504188  -0.264757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003144  -0.047778   0.108406
+    0SOL     H2    2   0.098840  -0.049915   0.108227
+    0SOL     H3    3  -0.022869  -0.138888   0.121991
+    1SOL     O4    4  -0.011238   0.054715  -0.114577
+    1SOL     H5    5  -0.036746   0.016823  -0.030459
+    1SOL     H6    6   0.082726   0.070884  -0.106110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070183   0.013623   0.102947
+    0SOL     H2    2  -0.027089   0.023452   0.187850
+    0SOL     H3    3  -0.157558  -0.019279   0.124048
+    1SOL     O4    4   0.070106  -0.016781  -0.112776
+    1SOL     H5    5   0.043771   0.015954  -0.026769
+    1SOL     H6    6   0.146206   0.036268  -0.136375
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019914   0.098886   0.093781
+    0SOL     H2    2  -0.013297   0.059216   0.174315
+    0SOL     H3    3   0.018417   0.027845   0.029646
+    1SOL     O4    4  -0.020275  -0.093462  -0.088434
+    1SOL     H5    5  -0.053397  -0.035366  -0.156919
+    1SOL     H6    6   0.057046  -0.134532  -0.127127
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097359  -0.071697   0.047487
+    0SOL     H2    2   0.168342  -0.031210  -0.002359
+    0SOL     H3    3   0.110217  -0.165784   0.035461
+    1SOL     O4    4  -0.103898   0.077623  -0.049766
+    1SOL     H5    5  -0.026871   0.025385  -0.027396
+    1SOL     H6    6  -0.154225   0.082202   0.031527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071426  -0.111944   0.036137
+    0SOL     H2    2  -0.133072  -0.116793   0.109203
+    0SOL     H3    3  -0.052097  -0.018622   0.027200
+    1SOL     O4    4   0.074743   0.101111  -0.036602
+    1SOL     H5    5   0.051917   0.117285  -0.128142
+    1SOL     H6    6   0.079270   0.188245   0.002760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009147  -0.116857   0.060364
+    0SOL     H2    2  -0.008365  -0.195939   0.009357
+    0SOL     H3    3   0.103294  -0.119659   0.077421
+    1SOL     O4    4  -0.008072   0.123318  -0.061295
+    1SOL     H5    5  -0.027591   0.039203  -0.019993
+    1SOL     H6    6  -0.088129   0.174618  -0.050272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000179   0.130568   0.003504
+    0SOL     H2    2  -0.092163   0.156203   0.010151
+    0SOL     H3    3   0.046540   0.194719   0.057023
+    1SOL     O4    4  -0.004455  -0.138090  -0.007370
+    1SOL     H5    5   0.074191  -0.190652   0.007272
+    1SOL     H6    6   0.027960  -0.048524  -0.016839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055124   0.051406  -0.108311
+    0SOL     H2    2   0.091873   0.124360  -0.058415
+    0SOL     H3    3   0.125400   0.025191  -0.167778
+    1SOL     O4    4  -0.063955  -0.060867   0.110446
+    1SOL     H5    5  -0.012575  -0.029623   0.035972
+    1SOL     H6    6  -0.078861   0.017218   0.163765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067783   0.001025   0.120780
+    0SOL     H2    2  -0.024783  -0.084430   0.124049
+    0SOL     H3    3  -0.136363  -0.009127   0.054780
+    1SOL     O4    4   0.069573   0.009781  -0.120412
+    1SOL     H5    5   0.039654  -0.002915  -0.030379
+    1SOL     H6    6   0.093871  -0.077876  -0.150213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080834  -0.042707   0.102913
+    0SOL     H2    2   0.006896  -0.098786   0.126378
+    0SOL     H3    3   0.057469   0.043483   0.137376
+    1SOL     O4    4  -0.077340   0.047373  -0.106661
+    1SOL     H5    5   0.004493   0.017835  -0.066746
+    1SOL     H6    6  -0.118198  -0.032650  -0.139664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014042  -0.048397  -0.120803
+    0SOL     H2    2   0.016522  -0.011056  -0.203469
+    0SOL     H3    3  -0.008135  -0.143074  -0.133597
+    1SOL     O4    4   0.007656   0.049690   0.131559
+    1SOL     H5    5  -0.004414   0.026047   0.039594
+    1SOL     H6    6   0.088890   0.100303   0.132863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027715  -0.126786   0.030222
+    0SOL     H2    2  -0.040995  -0.187040  -0.042958
+    0SOL     H3    3   0.040322  -0.168165   0.083336
+    1SOL     O4    4   0.019098   0.136261  -0.030644
+    1SOL     H5    5   0.024402   0.059684   0.026541
+    1SOL     H6    6   0.108083   0.147442  -0.064094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000189   0.091884  -0.106228
+    0SOL     H2    2   0.012889   0.001938  -0.076211
+    0SOL     H3    3  -0.073714   0.086363  -0.167268
+    1SOL     O4    4   0.002096  -0.086389   0.101289
+    1SOL     H5    5   0.049234  -0.155103   0.148392
+    1SOL     H6    6  -0.012274  -0.017987   0.166688
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091795   0.049739  -0.096801
+    0SOL     H2    2   0.070560   0.005056  -0.178745
+    0SOL     H3    3   0.009330   0.051253  -0.048224
+    1SOL     O4    4  -0.090009  -0.041883   0.096082
+    1SOL     H5    5  -0.046058  -0.046165   0.181007
+    1SOL     H6    6  -0.066453  -0.123895   0.052706
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006351  -0.115664  -0.075078
+    0SOL     H2    2   0.003872  -0.174448   0.000425
+    0SOL     H3    3  -0.085245  -0.106371  -0.101275
+    1SOL     O4    4   0.000642   0.124705   0.070849
+    1SOL     H5    5  -0.012873   0.050406   0.012032
+    1SOL     H6    6  -0.018116   0.089997   0.158060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.129056   0.036374  -0.023919
+    0SOL     H2    2  -0.108860   0.127753  -0.044029
+    0SOL     H3    3  -0.190007   0.009573  -0.092686
+    1SOL     O4    4   0.133685  -0.046434   0.028824
+    1SOL     H5    5   0.182037   0.036123   0.031775
+    1SOL     H6    6   0.042429  -0.020367   0.016372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071959  -0.024805   0.120704
+    0SOL     H2    2   0.033328  -0.030397   0.033304
+    0SOL     H3    3   0.166386  -0.022950   0.105131
+    1SOL     O4    4  -0.072273   0.019920  -0.111694
+    1SOL     H5    5  -0.035518   0.055385  -0.192649
+    1SOL     H6    6  -0.151186   0.071886  -0.096381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087900   0.107899  -0.029672
+    0SOL     H2    2  -0.032236   0.048354  -0.079854
+    0SOL     H3    3  -0.173801   0.065674  -0.029078
+    1SOL     O4    4   0.085946  -0.096708   0.031386
+    1SOL     H5    5   0.166231  -0.107408   0.082398
+    1SOL     H6    6   0.069456  -0.183328  -0.005861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062316   0.054155   0.104930
+    0SOL     H2    2  -0.070160  -0.008160   0.177164
+    0SOL     H3    3  -0.106315   0.133101   0.136455
+    1SOL     O4    4   0.061676  -0.058111  -0.116359
+    1SOL     H5    5   0.155949  -0.063057  -0.100538
+    1SOL     H6    6   0.028085  -0.004395  -0.044606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075591   0.020768   0.122283
+    0SOL     H2    2   0.011259   0.012139   0.051933
+    0SOL     H3    3   0.133222   0.091587   0.093550
+    1SOL     O4    4  -0.072314  -0.021494  -0.111058
+    1SOL     H5    5  -0.065964   0.006398  -0.202404
+    1SOL     H6    6  -0.126414  -0.100413  -0.113768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028448   0.139198  -0.022481
+    0SOL     H2    2  -0.026341   0.043823  -0.014639
+    0SOL     H3    3  -0.121561   0.160815  -0.027481
+    1SOL     O4    4   0.033689  -0.128755   0.018293
+    1SOL     H5    5   0.113351  -0.171669   0.049514
+    1SOL     H6    6  -0.037623  -0.182292   0.053089
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067899  -0.115437  -0.055014
+    0SOL     H2    2  -0.126494  -0.153753   0.010261
+    0SOL     H3    3  -0.014738  -0.052895  -0.005772
+    1SOL     O4    4   0.074686   0.112047   0.046197
+    1SOL     H5    5   0.013248   0.065411   0.102879
+    1SOL     H6    6   0.027753   0.191237   0.019955
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076349   0.100342  -0.064793
+    0SOL     H2    2  -0.155718   0.095719  -0.011487
+    0SOL     H3    3  -0.080092   0.022393  -0.120220
+    1SOL     O4    4   0.088760  -0.094469   0.063870
+    1SOL     H5    5   0.037333  -0.169407   0.093904
+    1SOL     H6    6   0.023780  -0.026720   0.045161
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039117   0.038894   0.137051
+    0SOL     H2    2   0.025216   0.042059   0.066244
+    0SOL     H3    3  -0.094385  -0.036346   0.115914
+    1SOL     O4    4   0.039301  -0.034914  -0.124357
+    1SOL     H5    5   0.102036  -0.004706  -0.190040
+    1SOL     H6    6  -0.037023  -0.062640  -0.175034
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038255  -0.139154  -0.005854
+    0SOL     H2    2   0.036541  -0.192270   0.073758
+    0SOL     H3    3  -0.008011  -0.058798   0.017908
+    1SOL     O4    4  -0.037629   0.133847   0.005467
+    1SOL     H5    5   0.031846   0.114861  -0.057580
+    1SOL     H6    6  -0.073866   0.217654  -0.023267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063333  -0.080754   0.093714
+    0SOL     H2    2  -0.077353  -0.155610   0.035728
+    0SOL     H3    3  -0.035747  -0.119559   0.176753
+    1SOL     O4    4   0.065877   0.093689  -0.096584
+    1SOL     H5    5   0.062010   0.045307  -0.014082
+    1SOL     H6    6   0.011721   0.042727  -0.156853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072623   0.114493   0.064766
+    0SOL     H2    2  -0.062356   0.075626  -0.022104
+    0SOL     H3    3  -0.001163   0.077158   0.116359
+    1SOL     O4    4   0.063468  -0.105184  -0.064566
+    1SOL     H5    5   0.149631  -0.121340  -0.103003
+    1SOL     H6    6   0.053155  -0.174108   0.001049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065326   0.118312   0.055498
+    0SOL     H2    2   0.141981   0.069775   0.024995
+    0SOL     H3    3   0.041143   0.173970  -0.018527
+    1SOL     O4    4  -0.067773  -0.124219  -0.045981
+    1SOL     H5    5  -0.004827  -0.052195  -0.049528
+    1SOL     H6    6  -0.139867  -0.095875  -0.102206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083762   0.071684  -0.094213
+    0SOL     H2    2  -0.110300   0.007529  -0.028318
+    0SOL     H3    3  -0.137556   0.051194  -0.170689
+    1SOL     O4    4   0.094388  -0.068699   0.095845
+    1SOL     H5    5   0.051094  -0.063791   0.010617
+    1SOL     H6    6   0.029289  -0.035685   0.157769
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056908  -0.057237  -0.115943
+    0SOL     H2    2   0.005415  -0.112322  -0.163313
+    0SOL     H3    3  -0.084568   0.008272  -0.180019
+    1SOL     O4    4   0.060945   0.055831   0.125743
+    1SOL     H5    5  -0.005869   0.121780   0.144426
+    1SOL     H6    6   0.022842   0.002063   0.056321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024239   0.025066  -0.148682
+    0SOL     H2    2  -0.026279   0.056000  -0.073494
+    0SOL     H3    3   0.079148  -0.045008  -0.113511
+    1SOL     O4    4  -0.022643  -0.017058   0.146253
+    1SOL     H5    5   0.033983  -0.087378   0.114457
+    1SOL     H6    6  -0.109125  -0.038109   0.111040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027927  -0.120476   0.088765
+    0SOL     H2    2   0.056462  -0.185866   0.024952
+    0SOL     H3    3  -0.002785  -0.046966   0.035704
+    1SOL     O4    4  -0.032450   0.115408  -0.078529
+    1SOL     H5    5  -0.000083   0.108316  -0.168331
+    1SOL     H6    6   0.011789   0.192543  -0.043096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020901  -0.054644  -0.130709
+    0SOL     H2    2  -0.088114  -0.013736  -0.185218
+    0SOL     H3    3   0.060053  -0.044485  -0.180764
+    1SOL     O4    4   0.020472   0.045968   0.141606
+    1SOL     H5    5   0.011446   0.138592   0.164004
+    1SOL     H6    6   0.025112   0.044737   0.046006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057526  -0.111128   0.070577
+    0SOL     H2    2   0.103356  -0.158033   0.140304
+    0SOL     H3    3   0.014426  -0.179835   0.019743
+    1SOL     O4    4  -0.058067   0.123955  -0.071955
+    1SOL     H5    5  -0.004463   0.072637  -0.011495
+    1SOL     H6    6  -0.103429   0.058610  -0.125196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007692   0.026170   0.143575
+    0SOL     H2    2  -0.083391   0.019676   0.172283
+    0SOL     H3    3   0.052030  -0.046183   0.187863
+    1SOL     O4    4  -0.008837  -0.017189  -0.152531
+    1SOL     H5    5   0.016226  -0.108262  -0.168018
+    1SOL     H6    6   0.031156   0.004730  -0.068374
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125242  -0.088067  -0.016437
+    0SOL     H2    2  -0.106173  -0.161263   0.042224
+    0SOL     H3    3  -0.080849  -0.013199   0.023392
+    1SOL     O4    4   0.115738   0.085347   0.011560
+    1SOL     H5    5   0.158807   0.143535   0.074181
+    1SOL     H6    6   0.179141   0.075360  -0.059451
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086996  -0.098305  -0.081384
+    0SOL     H2    2  -0.036601  -0.026905  -0.042335
+    0SOL     H3    3  -0.030933  -0.131766  -0.151381
+    1SOL     O4    4   0.080726   0.090415   0.080375
+    1SOL     H5    5   0.009535   0.146870   0.110494
+    1SOL     H6    6   0.160465   0.138805   0.101880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061434  -0.104271  -0.094178
+    0SOL     H2    2  -0.015630  -0.034239  -0.140651
+    0SOL     H3    3  -0.147035  -0.067034  -0.073004
+    1SOL     O4    4   0.064987   0.097809   0.088600
+    1SOL     H5    5   0.086769   0.168235   0.149658
+    1SOL     H6    6   0.025949   0.029740   0.143417
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033216   0.039709   0.141648
+    0SOL     H2    2   0.002262   0.128478   0.136781
+    0SOL     H3    3   0.040305  -0.013926   0.171317
+    1SOL     O4    4   0.025433  -0.046265  -0.148138
+    1SOL     H5    5   0.065852   0.040141  -0.156050
+    1SOL     H6    6   0.005113  -0.054817  -0.054991
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088745   0.099592  -0.078720
+    0SOL     H2    2  -0.022845   0.037549  -0.047573
+    0SOL     H3    3  -0.038868   0.165060  -0.127593
+    1SOL     O4    4   0.085057  -0.097145   0.075091
+    1SOL     H5    5   0.036336  -0.051852   0.143918
+    1SOL     H6    6   0.067397  -0.189983   0.090308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137989   0.029546  -0.059782
+    0SOL     H2    2  -0.161599   0.111868  -0.102537
+    0SOL     H3    3  -0.058104   0.049831  -0.011108
+    1SOL     O4    4   0.135556  -0.039153   0.053664
+    1SOL     H5    5   0.135179   0.056041   0.063675
+    1SOL     H6    6   0.123735  -0.072677   0.142539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037541  -0.131604   0.071718
+    0SOL     H2    2  -0.041472  -0.060136   0.008164
+    0SOL     H3    3  -0.121856  -0.128201   0.116904
+    1SOL     O4    4   0.042228   0.122475  -0.066634
+    1SOL     H5    5   0.012880   0.212161  -0.050590
+    1SOL     H6    6   0.075575   0.123823  -0.156348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044353   0.041485  -0.136806
+    0SOL     H2    2  -0.118253   0.086106  -0.095453
+    0SOL     H3    3  -0.077685   0.013942  -0.222203
+    1SOL     O4    4   0.049872  -0.044099   0.145915
+    1SOL     H5    5   0.125244  -0.005572   0.101226
+    1SOL     H6    6  -0.016255  -0.053833   0.077396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024908  -0.147336   0.015218
+    0SOL     H2    2   0.016005  -0.206828   0.089674
+    0SOL     H3    3   0.114955  -0.159742  -0.014780
+    1SOL     O4    4  -0.027924   0.158035  -0.016882
+    1SOL     H5    5  -0.080043   0.121542  -0.088395
+    1SOL     H6    6  -0.007394   0.082827   0.038657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042955   0.144002   0.016762
+    0SOL     H2    2  -0.099534   0.221090   0.021071
+    0SOL     H3    3   0.042386   0.175154   0.046909
+    1SOL     O4    4   0.045662  -0.155361  -0.021840
+    1SOL     H5    5  -0.019611  -0.099312  -0.063796
+    1SOL     H6    6   0.041083  -0.132233   0.070931
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119206  -0.075608   0.055612
+    0SOL     H2    2   0.203305  -0.095046   0.096987
+    0SOL     H3    3   0.077644  -0.161102   0.044405
+    1SOL     O4    4  -0.123426   0.087627  -0.055539
+    1SOL     H5    5  -0.036056   0.048856  -0.050481
+    1SOL     H6    6  -0.178249   0.018490  -0.092646
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161075  -0.005216   0.030594
+    0SOL     H2    2  -0.092414  -0.051058   0.079034
+    0SOL     H3    3  -0.138433   0.087428   0.038752
+    1SOL     O4    4   0.152241  -0.003441  -0.031881
+    1SOL     H5    5   0.109891   0.079282  -0.054809
+    1SOL     H6    6   0.245619   0.012932  -0.045099
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048037   0.010462   0.155987
+    0SOL     H2    2  -0.013631  -0.013840   0.070033
+    0SOL     H3    3   0.007670  -0.036283   0.218228
+    1SOL     O4    4   0.041619  -0.004006  -0.148831
+    1SOL     H5    5  -0.015078  -0.047012  -0.212847
+    1SOL     H6    6   0.129200  -0.009053  -0.187124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003561   0.046930   0.153030
+    0SOL     H2    2   0.060405  -0.027826   0.171541
+    0SOL     H3    3  -0.077920   0.027133   0.199195
+    1SOL     O4    4  -0.006722  -0.040614  -0.161592
+    1SOL     H5    5   0.079223   0.001524  -0.161151
+    1SOL     H6    6  -0.008717  -0.091904  -0.080798
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133074  -0.090493   0.048228
+    0SOL     H2    2   0.101751  -0.038518   0.122253
+    0SOL     H3    3   0.055386  -0.104352  -0.005946
+    1SOL     O4    4  -0.123372   0.083387  -0.050175
+    1SOL     H5    5  -0.161717   0.136820  -0.119723
+    1SOL     H6    6  -0.157699   0.121160   0.030801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017987   0.109767   0.113844
+    0SOL     H2    2  -0.047728   0.184699   0.062240
+    0SOL     H3    3   0.048317   0.145928   0.172653
+    1SOL     O4    4   0.013085  -0.120484  -0.118512
+    1SOL     H5    5  -0.031074  -0.076026  -0.046154
+    1SOL     H6    6   0.103019  -0.087857  -0.115420
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126150   0.074726  -0.070054
+    0SOL     H2    2   0.198365   0.044368  -0.015047
+    0SOL     H3    3   0.100612   0.158729  -0.031928
+    1SOL     O4    4  -0.129697  -0.083721   0.067576
+    1SOL     H5    5  -0.051334  -0.043412   0.030203
+    1SOL     H6    6  -0.200213  -0.022156   0.047587
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097895   0.098107  -0.083088
+    0SOL     H2    2  -0.167211   0.159552  -0.058959
+    0SOL     H3    3  -0.017697   0.150314  -0.080848
+    1SOL     O4    4   0.102392  -0.103760   0.086222
+    1SOL     H5    5   0.095552  -0.162318   0.010814
+    1SOL     H6    6   0.022846  -0.050638   0.082649
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079803   0.113358  -0.099336
+    0SOL     H2    2  -0.155376   0.065874  -0.133924
+    0SOL     H3    3  -0.013470   0.045825  -0.085144
+    1SOL     O4    4   0.076087  -0.111010   0.098021
+    1SOL     H5    5   0.170897  -0.106573   0.085627
+    1SOL     H6    6   0.056086  -0.037940   0.156527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000617  -0.077974  -0.145852
+    0SOL     H2    2  -0.066017  -0.110728  -0.085442
+    0SOL     H3    3   0.020502  -0.152597  -0.202405
+    1SOL     O4    4  -0.000155   0.085220   0.151942
+    1SOL     H5    5  -0.005948   0.141199   0.074514
+    1SOL     H6    6   0.045790   0.006932   0.121573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061696   0.161079   0.012971
+    0SOL     H2    2  -0.043936   0.231790  -0.049052
+    0SOL     H3    3   0.007009   0.096587  -0.003844
+    1SOL     O4    4   0.054381  -0.157837  -0.003488
+    1SOL     H5    5   0.144112  -0.152678  -0.036412
+    1SOL     H6    6   0.013436  -0.226544  -0.056073
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115264  -0.060419   0.116123
+    0SOL     H2    2  -0.073541  -0.075528   0.031310
+    0SOL     H3    3  -0.093703  -0.138145   0.167661
+    1SOL     O4    4   0.111827   0.061793  -0.120211
+    1SOL     H5    5   0.159946   0.047190  -0.038764
+    1SOL     H6    6   0.060957   0.141263  -0.104112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004572  -0.102709   0.146441
+    0SOL     H2    2  -0.049204  -0.075104   0.220660
+    0SOL     H3    3  -0.018240  -0.041725   0.076278
+    1SOL     O4    4   0.002003   0.092593  -0.144161
+    1SOL     H5    5   0.004203   0.179219  -0.103500
+    1SOL     H6    6  -0.043105   0.106320  -0.227462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.096391   0.094066  -0.111734
+    0SOL     H2    2   0.169769   0.117459  -0.168574
+    0SOL     H3    3   0.046162   0.030267  -0.162419
+    1SOL     O4    4  -0.100881  -0.096520   0.114949
+    1SOL     H5    5  -0.133538  -0.024403   0.168754
+    1SOL     H6    6  -0.006378  -0.082058   0.110230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072209   0.094316   0.133478
+    0SOL     H2    2  -0.131133   0.051867   0.071121
+    0SOL     H3    3  -0.096887   0.057841   0.218466
+    1SOL     O4    4   0.077830  -0.093566  -0.130298
+    1SOL     H5    5   0.025661  -0.105247  -0.209697
+    1SOL     H6    6   0.116500  -0.006499  -0.139584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036253   0.059471  -0.163591
+    0SOL     H2    2   0.006939   0.071259  -0.253946
+    0SOL     H3    3   0.061976   0.147149  -0.135074
+    1SOL     O4    4  -0.029026  -0.065441   0.165930
+    1SOL     H5    5  -0.087922  -0.023775   0.103020
+    1SOL     H6    6  -0.085933  -0.091871   0.238217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.008310  -0.149701  -0.104017
+    0SOL     H2    2  -0.086519  -0.204232  -0.095528
+    0SOL     H3    3   0.009579  -0.147867  -0.198032
+    1SOL     O4    4   0.013975   0.159145   0.107197
+    1SOL     H5    5   0.028760   0.118051   0.192373
+    1SOL     H6    6  -0.034190   0.093472   0.056903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019005  -0.180860   0.052458
+    0SOL     H2    2   0.023231  -0.147052  -0.026507
+    0SOL     H3    3   0.039177  -0.250532   0.082839
+    1SOL     O4    4   0.007611   0.185886  -0.048867
+    1SOL     H5    5   0.017243   0.090652  -0.048729
+    1SOL     H6    6   0.096619   0.218992  -0.060862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049295  -0.134094  -0.115004
+    0SOL     H2    2   0.024885  -0.194195  -0.121892
+    0SOL     H3    3  -0.124184  -0.184692  -0.146528
+    1SOL     O4    4   0.048809   0.147831   0.119857
+    1SOL     H5    5  -0.001344   0.070388   0.145345
+    1SOL     H6    6   0.109593   0.116140   0.053049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076728  -0.176324   0.034000
+    0SOL     H2    2  -0.083745  -0.267895   0.060980
+    0SOL     H3    3  -0.147811  -0.132113   0.080420
+    1SOL     O4    4   0.080524   0.185737  -0.036599
+    1SOL     H5    5   0.115240   0.113203   0.015322
+    1SOL     H6    6   0.054103   0.145529  -0.119348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096740   0.154877   0.075116
+    0SOL     H2    2  -0.074882   0.245564   0.053658
+    0SOL     H3    3  -0.191942   0.154848   0.085066
+    1SOL     O4    4   0.097287  -0.157071  -0.079175
+    1SOL     H5    5   0.086839  -0.247467  -0.049480
+    1SOL     H6    6   0.166838  -0.121522  -0.023847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.177647  -0.005788   0.113491
+    0SOL     H2    2  -0.230037   0.068067   0.144523
+    0SOL     H3    3  -0.102162  -0.008058   0.172305
+    1SOL     O4    4   0.182299   0.003310  -0.117048
+    1SOL     H5    5   0.144909  -0.081563  -0.140729
+    1SOL     H6    6   0.108660   0.064247  -0.122177
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081541   0.203832  -0.075570
+    0SOL     H2    2   0.005980   0.160415  -0.035973
+    0SOL     H3    3   0.124136   0.135458  -0.127271
+    1SOL     O4    4  -0.077811  -0.190811   0.076655
+    1SOL     H5    5  -0.079481  -0.249656   0.001179
+    1SOL     H6    6  -0.109630  -0.244222   0.149437
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037620   0.223230   0.065668
+    0SOL     H2    2  -0.056382   0.308669   0.026802
+    0SOL     H3    3   0.042150   0.193846   0.021671
+    1SOL     O4    4   0.031228  -0.232309  -0.057997
+    1SOL     H5    5   0.078629  -0.229492  -0.141109
+    1SOL     H6    6   0.033678  -0.142162  -0.025906
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.103035   0.227851  -0.046676
+    0SOL     H2    2   0.050008   0.202047   0.028720
+    0SOL     H3    3   0.073932   0.170214  -0.117339
+    1SOL     O4    4  -0.093759  -0.228577   0.046264
+    1SOL     H5    5  -0.080234  -0.137420   0.072147
+    1SOL     H6    6  -0.187546  -0.234713   0.028131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080480  -0.178131  -0.153628
+    0SOL     H2    2   0.108872  -0.269151  -0.145176
+    0SOL     H3    3   0.001803  -0.182482  -0.207972
+    1SOL     O4    4  -0.079402   0.189161   0.153001
+    1SOL     H5    5  -0.054051   0.104444   0.116359
+    1SOL     H6    6  -0.075390   0.176479   0.247792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046273  -0.140687  -0.219496
+    0SOL     H2    2  -0.019900  -0.117614  -0.130421
+    0SOL     H3    3   0.032275  -0.126287  -0.272271
+    1SOL     O4    4   0.035601   0.135730   0.221030
+    1SOL     H5    5   0.075229   0.220711   0.240271
+    1SOL     H6    6   0.084354   0.103089   0.145398
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046898   0.213389   0.155183
+    0SOL     H2    2   0.004723   0.130817   0.131404
+    0SOL     H3    3   0.001988   0.279366   0.102340
+    1SOL     O4    4  -0.042383  -0.206485  -0.147285
+    1SOL     H5    5  -0.077880  -0.292381  -0.124393
+    1SOL     H6    6   0.006462  -0.221497  -0.228224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096880  -0.120069   0.222165
+    0SOL     H2    2  -0.003099  -0.133076   0.236245
+    0SOL     H3    3  -0.118703  -0.178979   0.149945
+    1SOL     O4    4   0.093088   0.117559  -0.217799
+    1SOL     H5    5   0.164908   0.180412  -0.225121
+    1SOL     H6    6   0.014025   0.169763  -0.231441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.129178  -0.233123   0.054877
+    0SOL     H2    2  -0.107284  -0.316450   0.096586
+    0SOL     H3    3  -0.167730  -0.257769  -0.029198
+    1SOL     O4    4   0.129903   0.232650  -0.056480
+    1SOL     H5    5   0.138107   0.322592  -0.088188
+    1SOL     H6    6   0.123634   0.241217   0.038649
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046903   0.188346  -0.204513
+    0SOL     H2    2   0.030656   0.233802  -0.121857
+    0SOL     H3    3   0.026043   0.252990  -0.271955
+    1SOL     O4    4  -0.049883  -0.195915   0.199388
+    1SOL     H5    5  -0.038944  -0.216623   0.292199
+    1SOL     H6    6   0.026971  -0.143295   0.177320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.191275  -0.199327  -0.106381
+    0SOL     H2    2  -0.177312  -0.260996  -0.034518
+    0SOL     H3    3  -0.187810  -0.113081  -0.065007
+    1SOL     O4    4   0.187994   0.192727   0.099571
+    1SOL     H5    5   0.167294   0.270462   0.047696
+    1SOL     H6    6   0.254534   0.222343   0.161681
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072332  -0.143085   0.243521
+    0SOL     H2    2  -0.055576  -0.074856   0.308531
+    0SOL     H3    3  -0.166512  -0.159164   0.249334
+    1SOL     O4    4   0.071053   0.137776  -0.245872
+    1SOL     H5    5   0.145295   0.092783  -0.286197
+    1SOL     H6    6   0.100528   0.228265  -0.235605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.184770  -0.232361   0.043656
+    0SOL     H2    2  -0.242961  -0.254821  -0.028951
+    0SOL     H3    3  -0.124933  -0.306773   0.050356
+    1SOL     O4    4   0.183342   0.231753  -0.037011
+    1SOL     H5    5   0.152390   0.315183  -0.001744
+    1SOL     H6    6   0.236610   0.255998  -0.112754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002793   0.200809  -0.235917
+    0SOL     H2    2   0.043399   0.259487  -0.176038
+    0SOL     H3    3   0.022587   0.112923  -0.207736
+    1SOL     O4    4  -0.000339  -0.194281   0.235201
+    1SOL     H5    5   0.035726  -0.282447   0.244602
+    1SOL     H6    6  -0.049463  -0.197075   0.153096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042950   0.183073   0.243554
+    0SOL     H2    2   0.009033   0.230035   0.308782
+    0SOL     H3    3   0.017940   0.119901   0.205292
+    1SOL     O4    4   0.032980  -0.184409  -0.240593
+    1SOL     H5    5   0.034748  -0.202556  -0.334561
+    1SOL     H6    6   0.110359  -0.130220  -0.225157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.194401   0.246892   0.066380
+    0SOL     H2    2   0.289696   0.254616   0.061731
+    0SOL     H3    3   0.167925   0.222717  -0.022372
+    1SOL     O4    4  -0.199020  -0.251686  -0.059509
+    1SOL     H5    5  -0.140685  -0.217988  -0.127507
+    1SOL     H6    6  -0.240345  -0.173671  -0.022518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004183  -0.386290   0.065280
+    0SOL     H2    2   0.079194  -0.363667   0.024065
+    0SOL     H3    3  -0.058379  -0.308163   0.054262
+    1SOL     O4    4   0.003631   0.385549  -0.065956
+    1SOL     H5    5  -0.080447   0.344628  -0.045497
+    1SOL     H6    6   0.068280   0.331634  -0.020394
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056493   0.325855   0.224566
+    0SOL     H2    2   0.087256   0.259300   0.163032
+    0SOL     H3    3   0.004387   0.385740   0.171077
+    1SOL     O4    4  -0.058444  -0.324699  -0.224568
+    1SOL     H5    5  -0.030991  -0.255491  -0.164410
+    1SOL     H6    6  -0.034012  -0.406008  -0.180362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046909  -0.220131   0.560563
+    0SOL     H2    2  -0.122362  -0.161345   0.556905
+    0SOL     H3    3   0.028781  -0.161749   0.565545
+    1SOL     O4    4   0.046411   0.220048  -0.559263
+    1SOL     H5    5   0.007716   0.174262  -0.633887
+    1SOL     H6    6   0.093804   0.152074  -0.511349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.385584   0.698396   0.151290
+    0SOL     H2    2   0.328561   0.751227   0.095436
+    0SOL     H3    3   0.474012   0.728914   0.131004
+    1SOL     O4    4  -0.385200  -0.701029  -0.153279
+    1SOL     H5    5  -0.352296  -0.769179  -0.094668
+    1SOL     H6    6  -0.457008  -0.660315  -0.104821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.591245   0.398914  -0.503426
+    0SOL     H2    2  -0.588371   0.494590  -0.503952
+    0SOL     H3    3  -0.620179   0.375289  -0.591556
+    1SOL     O4    4   0.591060  -0.396744   0.509783
+    1SOL     H5    5   0.676417  -0.428827   0.480672
+    1SOL     H6    6   0.536954  -0.475399   0.516729
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.843325   0.203570  -0.174911
+    0SOL     H2    2  -0.760937   0.249259  -0.157968
+    0SOL     H3    3  -0.889834   0.206149  -0.091289
+    1SOL     O4    4   0.842086  -0.205049   0.176108
+    1SOL     H5    5   0.763035  -0.222961   0.125192
+    1SOL     H6    6   0.912877  -0.206108   0.111688
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.696735  -0.406623   0.574179
+    0SOL     H2    2   0.763810  -0.415944   0.641828
+    0SOL     H3    3   0.666603  -0.495985   0.557785
+    1SOL     O4    4  -0.698298   0.413917  -0.570068
+    1SOL     H5    5  -0.683307   0.326043  -0.604936
+    1SOL     H6    6  -0.718745   0.467091  -0.646989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/390K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -1.217877  -0.199263  -0.543652
+    0SOL     H2    2  -1.263366  -0.207264  -0.459812
+    0SOL     H3    3  -1.140323  -0.254575  -0.534251
+    1SOL     O4    4   1.213932   0.203303   0.544604
+    1SOL     H5    5   1.181666   0.251341   0.468358
+    1SOL     H6    6   1.283203   0.147048   0.509975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087864  -0.078409  -0.050366
+    0SOL     H2    2  -0.005394  -0.033318  -0.032260
+    0SOL     H3    3  -0.073483  -0.167953  -0.019749
+    1SOL     O4    4   0.084541   0.075316   0.048147
+    1SOL     H5    5   0.091240   0.133857  -0.027287
+    1SOL     H6    6   0.033117   0.124478   0.112186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111461   0.067256  -0.001655
+    0SOL     H2    2  -0.187666   0.019844   0.031620
+    0SOL     H3    3  -0.037071   0.010707   0.019097
+    1SOL     O4    4   0.107042  -0.057999   0.002322
+    1SOL     H5    5   0.201282  -0.043239  -0.005628
+    1SOL     H6    6   0.092308  -0.142468  -0.040224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041329   0.097889   0.084040
+    0SOL     H2    2  -0.007796   0.058027   0.164345
+    0SOL     H3    3  -0.012907   0.038852   0.014261
+    1SOL     O4    4   0.035113  -0.088567  -0.080475
+    1SOL     H5    5   0.065627  -0.065902  -0.168324
+    1SOL     H6    6   0.053157  -0.182208  -0.072218
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117230  -0.041312  -0.054303
+    0SOL     H2    2   0.186756  -0.038676   0.011436
+    0SOL     H3    3   0.036660  -0.027142  -0.004604
+    1SOL     O4    4  -0.115086   0.035284   0.044658
+    1SOL     H5    5  -0.072932   0.121214   0.043497
+    1SOL     H6    6  -0.188680   0.045469   0.105010
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100108   0.032624   0.088633
+    0SOL     H2    2  -0.019155   0.000794   0.048687
+    0SOL     H3    3  -0.169718  -0.013394   0.041739
+    1SOL     O4    4   0.100203  -0.034247  -0.080916
+    1SOL     H5    5   0.081565  -0.012159  -0.172169
+    1SOL     H6    6   0.115257   0.050172  -0.038383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047623   0.015511  -0.127655
+    0SOL     H2    2  -0.025638   0.035251  -0.186011
+    0SOL     H3    3   0.006466  -0.017478  -0.047780
+    1SOL     O4    4  -0.043876  -0.019327   0.122365
+    1SOL     H5    5  -0.060395   0.074531   0.131320
+    1SOL     H6    6   0.023549  -0.038163   0.187645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083690   0.025997   0.106371
+    0SOL     H2    2  -0.023957   0.023751   0.031610
+    0SOL     H3    3  -0.121782   0.113780   0.104025
+    1SOL     O4    4   0.084760  -0.025155  -0.099418
+    1SOL     H5    5   0.023761  -0.038423  -0.171981
+    1SOL     H6    6   0.108667  -0.113596  -0.071687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093575  -0.063713   0.062833
+    0SOL     H2    2  -0.123144  -0.029625   0.147249
+    0SOL     H3    3  -0.171873  -0.102678   0.023929
+    1SOL     O4    4   0.106589   0.062169  -0.065777
+    1SOL     H5    5   0.029825   0.011550  -0.039180
+    1SOL     H6    6   0.071451   0.147525  -0.091115
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031334   0.124678   0.022125
+    0SOL     H2    2  -0.003422   0.203777   0.063329
+    0SOL     H3    3   0.044302   0.149074  -0.069521
+    1SOL     O4    4  -0.033999  -0.132109  -0.024125
+    1SOL     H5    5   0.015801  -0.195828   0.027082
+    1SOL     H6    6  -0.011758  -0.047484   0.014686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061386  -0.110743  -0.052185
+    0SOL     H2    2   0.030891  -0.136178  -0.052684
+    0SOL     H3    3  -0.090953  -0.129443   0.036913
+    1SOL     O4    4   0.053710   0.117534   0.049542
+    1SOL     H5    5   0.148415   0.127479   0.039834
+    1SOL     H6    6   0.035138   0.030068   0.015379
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042815  -0.107510  -0.077420
+    0SOL     H2    2   0.085335  -0.174413  -0.023771
+    0SOL     H3    3   0.033827  -0.032131  -0.019114
+    1SOL     O4    4  -0.040976   0.102299   0.073371
+    1SOL     H5    5  -0.011475   0.173474   0.016572
+    1SOL     H6    6  -0.135543   0.115129   0.080775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047346  -0.086868  -0.098873
+    0SOL     H2    2  -0.078041  -0.046865  -0.180236
+    0SOL     H3    3  -0.044957  -0.014687  -0.036052
+    1SOL     O4    4   0.042224   0.080414   0.098476
+    1SOL     H5    5   0.086249   0.086812   0.183230
+    1SOL     H6    6   0.112536   0.089497   0.034164
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007797  -0.042973  -0.127979
+    0SOL     H2    2   0.031747   0.045187  -0.099405
+    0SOL     H3    3   0.031911  -0.045569  -0.220575
+    1SOL     O4    4  -0.005251   0.042430   0.133049
+    1SOL     H5    5  -0.090367   0.042887   0.176838
+    1SOL     H6    6  -0.011320  -0.028927   0.069538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049871  -0.098715  -0.072763
+    0SOL     H2    2   0.036623  -0.118831  -0.108490
+    0SOL     H3    3  -0.103961  -0.173837  -0.097118
+    1SOL     O4    4   0.052408   0.103255   0.081646
+    1SOL     H5    5   0.006474   0.037822   0.029007
+    1SOL     H6    6   0.020643   0.187273   0.048567
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066016   0.117482  -0.039324
+    0SOL     H2    2  -0.135456   0.113927  -0.105109
+    0SOL     H3    3  -0.061577   0.028518  -0.004282
+    1SOL     O4    4   0.068198  -0.107759   0.045390
+    1SOL     H5    5   0.020715  -0.170671  -0.008922
+    1SOL     H6    6   0.160289  -0.121688   0.023310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080672   0.017246   0.105132
+    0SOL     H2    2   0.038869   0.071471   0.172023
+    0SOL     H3    3   0.168508   0.054123   0.095790
+    1SOL     O4    4  -0.090820  -0.024514  -0.110088
+    1SOL     H5    5  -0.046916  -0.018297  -0.025258
+    1SOL     H6    6  -0.022552  -0.004084  -0.173997
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041979   0.004950   0.135122
+    0SOL     H2    2   0.075460   0.088945   0.166526
+    0SOL     H3    3   0.003221   0.024911   0.049906
+    1SOL     O4    4  -0.045770  -0.007627  -0.128130
+    1SOL     H5    5   0.025035   0.028398  -0.181525
+    1SOL     H6    6  -0.044241  -0.101564  -0.146458
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036654  -0.075211  -0.117787
+    0SOL     H2    2   0.014821  -0.036496  -0.046979
+    0SOL     H3    3  -0.083925  -0.001386  -0.156228
+    1SOL     O4    4   0.030570   0.065615   0.115264
+    1SOL     H5    5   0.054043   0.156397   0.096031
+    1SOL     H6    6   0.112254   0.025470   0.144903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088953   0.100427   0.007069
+    0SOL     H2    2  -0.095117   0.195821   0.002142
+    0SOL     H3    3  -0.137684   0.077282   0.086139
+    1SOL     O4    4   0.091885  -0.110455  -0.007702
+    1SOL     H5    5   0.039423  -0.031317   0.004437
+    1SOL     H6    6   0.149224  -0.090135  -0.081605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048773   0.117095  -0.071083
+    0SOL     H2    2  -0.006851   0.170248  -0.003411
+    0SOL     H3    3  -0.032979   0.026710  -0.043820
+    1SOL     O4    4   0.043556  -0.114792   0.059420
+    1SOL     H5    5   0.117111  -0.069936   0.101134
+    1SOL     H6    6   0.005178  -0.167936   0.129171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000371  -0.142297  -0.025140
+    0SOL     H2    2   0.021612  -0.050136  -0.011520
+    0SOL     H3    3   0.069538  -0.190436   0.019106
+    1SOL     O4    4  -0.009285   0.134869   0.022433
+    1SOL     H5    5   0.052143   0.163775   0.089912
+    1SOL     H6    6   0.008823   0.191693  -0.052436
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140542  -0.021712  -0.013346
+    0SOL     H2    2   0.205361   0.011584   0.048719
+    0SOL     H3    3   0.078218   0.050176  -0.023835
+    1SOL     O4    4  -0.134624   0.013859   0.011074
+    1SOL     H5    5  -0.213106  -0.040907   0.012930
+    1SOL     H6    6  -0.167468   0.102330  -0.004945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011075   0.134225  -0.059796
+    0SOL     H2    2  -0.039341   0.045417  -0.037965
+    0SOL     H3    3   0.083159   0.134228  -0.042998
+    1SOL     O4    4   0.003884  -0.125052   0.056401
+    1SOL     H5    5  -0.015121  -0.201617   0.110614
+    1SOL     H6    6   0.094086  -0.138139   0.027168
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000239  -0.120247  -0.068900
+    0SOL     H2    2  -0.050757  -0.127305  -0.149896
+    0SOL     H3    3  -0.041243  -0.183104  -0.009487
+    1SOL     O4    4  -0.000183   0.125650   0.073847
+    1SOL     H5    5   0.024783   0.045438   0.027967
+    1SOL     H6    6   0.072105   0.186198   0.057395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131123   0.059452   0.023403
+    0SOL     H2    2   0.158946   0.017320  -0.057918
+    0SOL     H3    3   0.065533   0.123556  -0.004001
+    1SOL     O4    4  -0.134248  -0.060527  -0.013317
+    1SOL     H5    5  -0.105158  -0.002475  -0.083646
+    1SOL     H6    6  -0.065052  -0.126293  -0.006319
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054022   0.089646   0.103522
+    0SOL     H2    2  -0.071553   0.070616   0.011365
+    0SOL     H3    3   0.015852   0.155040   0.101652
+    1SOL     O4    4   0.052642  -0.086584  -0.093874
+    1SOL     H5    5   0.009754  -0.093543  -0.179165
+    1SOL     H6    6   0.071561  -0.177078  -0.069071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021206  -0.147490   0.006110
+    0SOL     H2    2  -0.061332  -0.177304  -0.075519
+    0SOL     H3    3  -0.011114  -0.052981  -0.005228
+    1SOL     O4    4   0.021474   0.137866  -0.002740
+    1SOL     H5    5   0.059651   0.160249   0.082136
+    1SOL     H6    6   0.011321   0.221917  -0.047403
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051432  -0.139453   0.000395
+    0SOL     H2    2  -0.024259  -0.173438   0.085653
+    0SOL     H3    3   0.007175  -0.065516  -0.015755
+    1SOL     O4    4   0.051766   0.133147  -0.000023
+    1SOL     H5    5   0.065153   0.174623  -0.085245
+    1SOL     H6    6  -0.032663   0.166772   0.030033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012120  -0.031296  -0.147714
+    0SOL     H2    2   0.011948   0.006156  -0.059625
+    0SOL     H3    3   0.094483  -0.001480  -0.186308
+    1SOL     O4    4  -0.011227   0.030173   0.142329
+    1SOL     H5    5  -0.102276   0.047271   0.118243
+    1SOL     H6    6  -0.016712  -0.035216   0.212017
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010368   0.007083  -0.155128
+    0SOL     H2    2   0.041740   0.000628  -0.075094
+    0SOL     H3    3  -0.101101   0.008276  -0.124659
+    1SOL     O4    4   0.008848  -0.004634   0.142706
+    1SOL     H5    5   0.042277  -0.091655   0.164432
+    1SOL     H6    6   0.034344   0.050101   0.216978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118578  -0.027826   0.080573
+    0SOL     H2    2  -0.142572   0.050064   0.130771
+    0SOL     H3    3  -0.201395  -0.073669   0.066358
+    1SOL     O4    4   0.124782   0.024767  -0.089460
+    1SOL     H5    5   0.199166   0.042939  -0.032020
+    1SOL     H6    6   0.048649   0.026708  -0.031475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.109870  -0.091212  -0.059659
+    0SOL     H2    2  -0.091838  -0.184863  -0.051489
+    0SOL     H3    3  -0.044403  -0.049211  -0.003871
+    1SOL     O4    4   0.103619   0.087764   0.056414
+    1SOL     H5    5   0.190997   0.126819   0.057863
+    1SOL     H6    6   0.044198   0.162231   0.047136
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104829   0.106936   0.007959
+    0SOL     H2    2  -0.194099   0.072679   0.012391
+    0SOL     H3    3  -0.092724   0.130549  -0.084009
+    1SOL     O4    4   0.116503  -0.104666  -0.003180
+    1SOL     H5    5   0.044575  -0.058393   0.039803
+    1SOL     H6    6   0.074988  -0.180252  -0.044721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066977   0.008008  -0.132737
+    0SOL     H2    2   0.160003  -0.013617  -0.126338
+    0SOL     H3    3   0.064486   0.087964  -0.185303
+    1SOL     O4    4  -0.077550  -0.009298   0.136593
+    1SOL     H5    5  -0.039108  -0.017945   0.049360
+    1SOL     H6    6  -0.008781  -0.039014   0.196177
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013886  -0.075852  -0.144640
+    0SOL     H2    2   0.021843   0.009983  -0.186248
+    0SOL     H3    3  -0.004008  -0.056363  -0.052649
+    1SOL     O4    4  -0.015297   0.063483   0.143103
+    1SOL     H5    5  -0.065429   0.138522   0.111192
+    1SOL     H6    6   0.074275   0.096214   0.151341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139818   0.086828   0.006051
+    0SOL     H2    2  -0.079743   0.141637   0.056542
+    0SOL     H3    3  -0.090818   0.006235  -0.010260
+    1SOL     O4    4   0.128497  -0.088267  -0.009613
+    1SOL     H5    5   0.165060  -0.078374   0.078294
+    1SOL     H6    6   0.186346  -0.036518  -0.065629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064754   0.142310   0.001642
+    0SOL     H2    2  -0.150747   0.101212   0.010497
+    0SOL     H3    3  -0.067426   0.185389  -0.083794
+    1SOL     O4    4   0.069141  -0.146748   0.008138
+    1SOL     H5    5   0.097878  -0.171334  -0.079794
+    1SOL     H6    6   0.055195  -0.052175   0.003261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004992  -0.128974  -0.089781
+    0SOL     H2    2  -0.094063  -0.127586  -0.054755
+    0SOL     H3    3  -0.016594  -0.132840  -0.184717
+    1SOL     O4    4   0.016465   0.133770   0.093979
+    1SOL     H5    5   0.015546   0.052236   0.043843
+    1SOL     H6    6  -0.069747   0.137442   0.135408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101583  -0.105636   0.063606
+    0SOL     H2    2   0.192769  -0.125576   0.042396
+    0SOL     H3    3   0.099713  -0.010554   0.074482
+    1SOL     O4    4  -0.105717   0.094928  -0.065670
+    1SOL     H5    5  -0.112065   0.176787  -0.114875
+    1SOL     H6    6  -0.105201   0.122077   0.026117
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044004   0.068607  -0.137080
+    0SOL     H2    2   0.047344   0.075883  -0.109422
+    0SOL     H3    3  -0.044394   0.100646  -0.227277
+    1SOL     O4    4   0.036428  -0.065630   0.144619
+    1SOL     H5    5   0.118704  -0.059277   0.096115
+    1SOL     H6    6   0.000717  -0.151022   0.120222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055898   0.115295   0.107856
+    0SOL     H2    2  -0.145139   0.089414   0.130847
+    0SOL     H3    3  -0.037177   0.067650   0.026975
+    1SOL     O4    4   0.058886  -0.109573  -0.098465
+    1SOL     H5    5   0.129671  -0.087599  -0.159037
+    1SOL     H6    6  -0.000367  -0.164557  -0.149731
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089177   0.000553   0.140622
+    0SOL     H2    2  -0.102517   0.043961   0.056360
+    0SOL     H3    3  -0.156590   0.037556   0.197618
+    1SOL     O4    4   0.094688  -0.002711  -0.132990
+    1SOL     H5    5   0.040333  -0.077314  -0.158330
+    1SOL     H6    6   0.122763   0.035819  -0.215994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007090   0.153937   0.083537
+    0SOL     H2    2   0.010643   0.132360  -0.008018
+    0SOL     H3    3  -0.101428   0.141070   0.093388
+    1SOL     O4    4   0.017709  -0.154153  -0.078224
+    1SOL     H5    5  -0.033103  -0.103267  -0.015049
+    1SOL     H6    6  -0.042452  -0.168731  -0.151234
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056771   0.147641   0.072305
+    0SOL     H2    2  -0.144707   0.151789   0.034725
+    0SOL     H3    3   0.001402   0.170615  -0.000154
+    1SOL     O4    4   0.058847  -0.153894  -0.069973
+    1SOL     H5    5   0.016743  -0.157661   0.015907
+    1SOL     H6    6   0.094377  -0.065179  -0.075411
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073479   0.089816   0.124321
+    0SOL     H2    2  -0.010106   0.157098   0.099436
+    0SOL     H3    3  -0.156793   0.136510   0.130709
+    1SOL     O4    4   0.074483  -0.092872  -0.128912
+    1SOL     H5    5   0.073715  -0.056822  -0.040243
+    1SOL     H6    6   0.076844  -0.187720  -0.116236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018033  -0.126277  -0.133174
+    0SOL     H2    2   0.034649  -0.155698  -0.058868
+    0SOL     H3    3  -0.026100  -0.031688  -0.120918
+    1SOL     O4    4   0.014700   0.116421   0.126289
+    1SOL     H5    5   0.082171   0.178013   0.097716
+    1SOL     H6    6  -0.040851   0.167353   0.185300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067417   0.097530   0.135801
+    0SOL     H2    2   0.095254   0.011064   0.105617
+    0SOL     H3    3   0.147377   0.150142   0.134932
+    1SOL     O4    4  -0.074288  -0.093396  -0.127246
+    1SOL     H5    5  -0.091561  -0.179691  -0.164892
+    1SOL     H6    6  -0.051995  -0.038456  -0.202391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013286  -0.018364  -0.179196
+    0SOL     H2    2   0.008286   0.054229  -0.117006
+    0SOL     H3    3   0.037923   0.022693  -0.262079
+    1SOL     O4    4  -0.017297   0.005566   0.180600
+    1SOL     H5    5   0.052801   0.034019   0.239244
+    1SOL     H6    6  -0.031333   0.080009   0.122088
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055088  -0.149982   0.094008
+    0SOL     H2    2   0.032710  -0.071050   0.044700
+    0SOL     H3    3   0.000570  -0.145472   0.172557
+    1SOL     O4    4  -0.045831   0.147012  -0.091135
+    1SOL     H5    5  -0.044822   0.154639  -0.186545
+    1SOL     H6    6  -0.134254   0.116777  -0.070410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034770   0.084620  -0.150070
+    0SOL     H2    2   0.020818   0.119175  -0.238238
+    0SOL     H3    3   0.062618   0.160440  -0.098707
+    1SOL     O4    4  -0.041759  -0.090060   0.155366
+    1SOL     H5    5  -0.014811  -0.068993   0.065967
+    1SOL     H6    6   0.034521  -0.133180   0.193894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040810   0.100276  -0.146594
+    0SOL     H2    2   0.001122   0.182858  -0.174295
+    0SOL     H3    3  -0.033358   0.041188  -0.133554
+    1SOL     O4    4  -0.030551  -0.097252   0.150435
+    1SOL     H5    5  -0.124983  -0.088760   0.137288
+    1SOL     H6    6  -0.008112  -0.181006   0.109887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.154972  -0.110411  -0.027968
+    0SOL     H2    2  -0.095325  -0.102465  -0.102409
+    0SOL     H3    3  -0.130311  -0.038598   0.030316
+    1SOL     O4    4   0.149041   0.112464   0.028876
+    1SOL     H5    5   0.155813   0.051887  -0.044927
+    1SOL     H6    6   0.156794   0.056826   0.106379
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062356  -0.062591  -0.160343
+    0SOL     H2    2   0.082922   0.025479  -0.128988
+    0SOL     H3    3   0.124328  -0.077739  -0.231704
+    1SOL     O4    4  -0.068283   0.062738   0.167118
+    1SOL     H5    5  -0.020617   0.068368   0.084302
+    1SOL     H6    6  -0.101269  -0.027080   0.169765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023265   0.178397  -0.050526
+    0SOL     H2    2   0.080969   0.104719  -0.030426
+    0SOL     H3    3   0.065480   0.222531  -0.124230
+    1SOL     O4    4  -0.022365  -0.177787   0.053101
+    1SOL     H5    5  -0.075590  -0.117165   0.001580
+    1SOL     H6    6  -0.084437  -0.219260   0.113012
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024274  -0.158434  -0.103328
+    0SOL     H2    2  -0.099361  -0.182215  -0.048934
+    0SOL     H3    3   0.024932  -0.239935  -0.113264
+    1SOL     O4    4   0.028480   0.159055   0.105003
+    1SOL     H5    5   0.001482   0.151658   0.013468
+    1SOL     H6    6   0.005589   0.248681   0.129608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146321   0.117603  -0.071843
+    0SOL     H2    2  -0.147885   0.205984  -0.108567
+    0SOL     H3    3  -0.055396   0.104369  -0.045011
+    1SOL     O4    4   0.139684  -0.115235   0.073206
+    1SOL     H5    5   0.150083  -0.179364   0.143503
+    1SOL     H6    6   0.161576  -0.163344  -0.006598
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149437  -0.126773  -0.056906
+    0SOL     H2    2   0.079741  -0.135263  -0.121966
+    0SOL     H3    3   0.133329  -0.198019   0.004955
+    1SOL     O4    4  -0.146746   0.128394   0.051304
+    1SOL     H5    5  -0.064903   0.110624   0.097653
+    1SOL     H6    6  -0.189285   0.196756   0.103068
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124642  -0.031625  -0.158327
+    0SOL     H2    2   0.148435  -0.074943  -0.240301
+    0SOL     H3    3   0.040208   0.009599  -0.176596
+    1SOL     O4    4  -0.120231   0.031937   0.169889
+    1SOL     H5    5  -0.189532  -0.011663   0.120303
+    1SOL     H6    6  -0.065888   0.074017   0.103268
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.157601   0.019057   0.130083
+    0SOL     H2    2  -0.083198   0.058230   0.175822
+    0SOL     H3    3  -0.234218   0.048289   0.179456
+    1SOL     O4    4   0.158237  -0.029728  -0.134493
+    1SOL     H5    5   0.135260   0.040088  -0.073173
+    1SOL     H6    6   0.162838   0.013696  -0.219672
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132860   0.188540   0.003203
+    0SOL     H2    2  -0.094247   0.200689  -0.083537
+    0SOL     H3    3  -0.099770   0.103643   0.032525
+    1SOL     O4    4   0.124574  -0.178539  -0.002015
+    1SOL     H5    5   0.210853  -0.176918   0.039404
+    1SOL     H6    6   0.101701  -0.271392  -0.006196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124933   0.144043   0.107168
+    0SOL     H2    2  -0.111887   0.195678   0.186704
+    0SOL     H3    3  -0.212497   0.168191   0.076972
+    1SOL     O4    4   0.132278  -0.150508  -0.114720
+    1SOL     H5    5   0.122563  -0.060290  -0.084245
+    1SOL     H6    6   0.078974  -0.202134  -0.054256
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.219820   0.027295   0.064876
+    0SOL     H2    2   0.176363   0.106857   0.034155
+    0SOL     H3    3   0.279304   0.003458  -0.006228
+    1SOL     O4    4  -0.226512  -0.028975  -0.060390
+    1SOL     H5    5  -0.148863   0.026967  -0.062224
+    1SOL     H6    6  -0.194317  -0.113718  -0.029659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116336   0.059755   0.196433
+    0SOL     H2    2  -0.113160  -0.035886   0.194192
+    0SOL     H3    3  -0.209661   0.080571   0.200849
+    1SOL     O4    4   0.119504  -0.049263  -0.197343
+    1SOL     H5    5   0.202957  -0.089044  -0.222151
+    1SOL     H6    6   0.069828  -0.120654  -0.157372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034621   0.062145   0.233858
+    0SOL     H2    2   0.034223  -0.018621   0.285228
+    0SOL     H3    3   0.050971   0.033378   0.144039
+    1SOL     O4    4  -0.037822  -0.053662  -0.238214
+    1SOL     H5    5  -0.090706  -0.056199  -0.158470
+    1SOL     H6    6   0.047748  -0.087094  -0.211337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035112   0.174416   0.156314
+    0SOL     H2    2   0.081249   0.130266   0.227620
+    0SOL     H3    3   0.029371   0.265753   0.184365
+    1SOL     O4    4  -0.035038  -0.178578  -0.168103
+    1SOL     H5    5  -0.090416  -0.103943  -0.145188
+    1SOL     H6    6  -0.023194  -0.225862  -0.085724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061770  -0.205045   0.104433
+    0SOL     H2    2   0.049151  -0.232852   0.195152
+    0SOL     H3    3   0.067354  -0.286731   0.054849
+    1SOL     O4    4  -0.062811   0.206157  -0.103683
+    1SOL     H5    5  -0.032590   0.290179  -0.069197
+    1SOL     H6    6  -0.065819   0.218821  -0.198513
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036106  -0.040766   0.233879
+    0SOL     H2    2   0.040304   0.037124   0.289358
+    0SOL     H3    3  -0.008755  -0.106085   0.287573
+    1SOL     O4    4  -0.030300   0.034661  -0.243694
+    1SOL     H5    5  -0.108571   0.037803  -0.188685
+    1SOL     H6    6  -0.004870   0.126306  -0.254505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094004   0.238421  -0.014667
+    0SOL     H2    2   0.040240   0.167369  -0.049643
+    0SOL     H3    3   0.074782   0.313168  -0.071286
+    1SOL     O4    4  -0.090368  -0.243897   0.015169
+    1SOL     H5    5  -0.022204  -0.177073   0.022280
+    1SOL     H6    6  -0.148213  -0.227187   0.089581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047353   0.248871  -0.007304
+    0SOL     H2    2  -0.050349   0.344543  -0.006912
+    0SOL     H3    3  -0.096935   0.222990   0.070376
+    1SOL     O4    4   0.047968  -0.258192   0.000609
+    1SOL     H5    5   0.132233  -0.213892  -0.009359
+    1SOL     H6    6  -0.001032  -0.203104   0.061656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077793  -0.197066   0.150362
+    0SOL     H2    2  -0.155700  -0.233328   0.192527
+    0SOL     H3    3  -0.004740  -0.244467   0.190093
+    1SOL     O4    4   0.079641   0.207801  -0.154036
+    1SOL     H5    5   0.107715   0.138811  -0.093915
+    1SOL     H6    6   0.022565   0.163289  -0.216672
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062581   0.275950  -0.017739
+    0SOL     H2    2   0.015714   0.222168  -0.029559
+    0SOL     H3    3  -0.114871   0.228358   0.046783
+    1SOL     O4    4   0.057628  -0.265795   0.018767
+    1SOL     H5    5   0.143135  -0.307210   0.030412
+    1SOL     H6    6   0.033116  -0.286308  -0.071459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104860   0.000761   0.277456
+    0SOL     H2    2   0.014453   0.030940   0.286296
+    0SOL     H3    3   0.135851  -0.008894   0.367504
+    1SOL     O4    4  -0.099704   0.002510  -0.286658
+    1SOL     H5    5  -0.056380  -0.028829  -0.207266
+    1SOL     H6    6  -0.180977  -0.047860  -0.291124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003572  -0.021880   0.309169
+    0SOL     H2    2  -0.052987  -0.082807   0.261721
+    0SOL     H3    3  -0.004957   0.060762   0.261630
+    1SOL     O4    4  -0.003473   0.025931  -0.304965
+    1SOL     H5    5   0.090534   0.023877  -0.287059
+    1SOL     H6    6  -0.030665  -0.065761  -0.301014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122210   0.303359   0.177224
+    0SOL     H2    2  -0.120169   0.287506   0.271600
+    0SOL     H3    3  -0.206022   0.267050   0.148597
+    1SOL     O4    4   0.122316  -0.304299  -0.182469
+    1SOL     H5    5   0.209256  -0.300099  -0.222296
+    1SOL     H6    6   0.122235  -0.233960  -0.117548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.176453  -0.234498   0.261675
+    0SOL     H2    2   0.202517  -0.185327   0.339554
+    0SOL     H3    3   0.087461  -0.264176   0.280699
+    1SOL     O4    4  -0.171094   0.237814  -0.270935
+    1SOL     H5    5  -0.161754   0.238774  -0.175676
+    1SOL     H6    6  -0.213441   0.154126  -0.290054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116649  -0.353231  -0.135362
+    0SOL     H2    2  -0.124839  -0.395174  -0.221013
+    0SOL     H3    3  -0.025932  -0.369263  -0.109366
+    1SOL     O4    4   0.112588   0.359082   0.132021
+    1SOL     H5    5   0.189842   0.345247   0.186818
+    1SOL     H6    6   0.039218   0.330046   0.186207
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065004  -0.400857  -0.077742
+    0SOL     H2    2  -0.114404  -0.325588  -0.045236
+    0SOL     H3    3   0.007323  -0.410652  -0.015813
+    1SOL     O4    4   0.060329   0.402466   0.076213
+    1SOL     H5    5   0.056779   0.382254  -0.017281
+    1SOL     H6    6   0.123100   0.339672   0.111975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009383  -0.413201  -0.081272
+    0SOL     H2    2   0.099381  -0.444314  -0.091000
+    0SOL     H3    3  -0.044705  -0.487186  -0.108897
+    1SOL     O4    4  -0.006731   0.419693   0.077850
+    1SOL     H5    5  -0.032790   0.341132   0.125928
+    1SOL     H6    6  -0.051253   0.491365   0.123052
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097725  -0.418472  -0.029277
+    0SOL     H2    2   0.035769  -0.382038  -0.092495
+    0SOL     H3    3   0.128596  -0.499472  -0.069877
+    1SOL     O4    4  -0.100334   0.421950   0.029439
+    1SOL     H5    5  -0.046408   0.487795   0.073242
+    1SOL     H6    6  -0.084239   0.341300   0.078416
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108864  -0.058111  -0.413055
+    0SOL     H2    2   0.178783   0.007000  -0.418910
+    0SOL     H3    3   0.114604  -0.106941  -0.495183
+    1SOL     O4    4  -0.118772   0.054573   0.418835
+    1SOL     H5    5  -0.094670   0.146124   0.432974
+    1SOL     H6    6  -0.038232   0.013041   0.388002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015979   0.216630  -0.374224
+    0SOL     H2    2   0.022451   0.141508  -0.419414
+    0SOL     H3    3  -0.061959   0.264975  -0.442860
+    1SOL     O4    4   0.015227  -0.217804   0.374452
+    1SOL     H5    5   0.093599  -0.231236   0.427741
+    1SOL     H6    6  -0.040857  -0.161662   0.427978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.198056  -0.308911  -0.276921
+    0SOL     H2    2   0.142145  -0.257636  -0.335290
+    0SOL     H3    3   0.176485  -0.399999  -0.296920
+    1SOL     O4    4  -0.191019   0.306227   0.282883
+    1SOL     H5    5  -0.225486   0.371800   0.343501
+    1SOL     H6    6  -0.211245   0.340896   0.195984
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.138799  -0.223428   0.458598
+    0SOL     H2    2  -0.127799  -0.128379   0.461246
+    0SOL     H3    3  -0.123886  -0.246770   0.366974
+    1SOL     O4    4   0.141306   0.224884  -0.455259
+    1SOL     H5    5   0.070951   0.219772  -0.390557
+    1SOL     H6    6   0.146768   0.136583  -0.491801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.161762  -0.103141  -0.508872
+    0SOL     H2    2   0.148776  -0.160110  -0.584688
+    0SOL     H3    3   0.090217  -0.125655  -0.449401
+    1SOL     O4    4  -0.156667   0.103619   0.515892
+    1SOL     H5    5  -0.085798   0.146982   0.468357
+    1SOL     H6    6  -0.235174   0.122664   0.464547
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010330  -0.027043   0.542835
+    0SOL     H2    2   0.076184  -0.008906   0.579561
+    0SOL     H3    3  -0.049549  -0.089721   0.603626
+    1SOL     O4    4   0.010682   0.025586  -0.552285
+    1SOL     H5    5  -0.048162   0.005958  -0.479385
+    1SOL     H6    6   0.012585   0.121193  -0.556518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.365756   0.484576  -0.338345
+    0SOL     H2    2  -0.380668   0.413795  -0.401034
+    0SOL     H3    3  -0.270675   0.495481  -0.336632
+    1SOL     O4    4   0.361508  -0.479817   0.348334
+    1SOL     H5    5   0.363798  -0.418929   0.274512
+    1SOL     H6    6   0.359485  -0.566536   0.307863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.814055   0.341367  -0.077551
+    0SOL     H2    2  -0.797873   0.435637  -0.073859
+    0SOL     H3    3  -0.762775   0.305362  -0.005188
+    1SOL     O4    4   0.811392  -0.342309   0.066878
+    1SOL     H5    5   0.726912  -0.378629   0.093455
+    1SOL     H6    6   0.866195  -0.349337   0.145042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.848883   0.534711   0.138491
+    0SOL     H2    2   0.836288   0.443110   0.113733
+    0SOL     H3    3   0.920959   0.564831   0.083172
+    1SOL     O4    4  -0.853627  -0.525476  -0.130204
+    1SOL     H5    5  -0.770690  -0.549784  -0.171350
+    1SOL     H6    6  -0.913434  -0.596699  -0.152850
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   1.059026   0.357539  -0.355201
+    0SOL     H2    2   0.977993   0.352313  -0.304519
+    0SOL     H3    3   1.085972   0.449105  -0.348001
+    1SOL     O4    4  -1.053200  -0.357555   0.348479
+    1SOL     H5    5  -1.024761  -0.445812   0.372234
+    1SOL     H6    6  -1.137952  -0.347191   0.391746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/400K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   1.169952   0.131060  -0.045462
+    0SOL     H2    2   1.219196   0.152998  -0.124557
+    0SOL     H3    3   1.115382   0.207971  -0.029061
+    1SOL     O4    4  -1.175691  -0.136941   0.049731
+    1SOL     H5    5  -1.114038  -0.184876   0.105080
+    1SOL     H6    6  -1.120389  -0.090034  -0.012749
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120062  -0.034304  -0.039081
+    0SOL     H2    2   0.036947  -0.011772   0.002710
+    0SOL     H3    3   0.116454  -0.129331  -0.049991
+    1SOL     O4    4  -0.109809   0.034936   0.033799
+    1SOL     H5    5  -0.107848   0.128031   0.055976
+    1SOL     H6    6  -0.193716   0.003915   0.067854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.109897   0.037067   0.064480
+    0SOL     H2    2  -0.157544  -0.045263   0.053811
+    0SOL     H3    3  -0.025002   0.021185   0.023214
+    1SOL     O4    4   0.105851  -0.024944  -0.062939
+    1SOL     H5    5   0.092648  -0.106635  -0.111049
+    1SOL     H6    6   0.153622  -0.050935   0.015831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.100579   0.034337  -0.079303
+    0SOL     H2    2   0.021182  -0.002259  -0.040326
+    0SOL     H3    3   0.080516   0.041224  -0.172643
+    1SOL     O4    4  -0.095316  -0.026378   0.079579
+    1SOL     H5    5  -0.046805  -0.044154   0.160158
+    1SOL     H6    6  -0.131043  -0.111366   0.053831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071902   0.095719  -0.060759
+    0SOL     H2    2   0.072975   0.108020  -0.155679
+    0SOL     H3    3   0.003404   0.030558  -0.045776
+    1SOL     O4    4  -0.069087  -0.090362   0.058657
+    1SOL     H5    5  -0.105125  -0.053208   0.139175
+    1SOL     H6    6  -0.012980  -0.162023   0.088306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057367  -0.000128   0.112546
+    0SOL     H2    2   0.143867  -0.026156   0.144210
+    0SOL     H3    3  -0.003943  -0.042874   0.172347
+    1SOL     O4    4  -0.063323   0.003861  -0.123108
+    1SOL     H5    5   0.030041  -0.017204  -0.124438
+    1SOL     H6    6  -0.079615   0.035080  -0.034101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000826  -0.084002  -0.093884
+    0SOL     H2    2   0.013556  -0.069305  -0.187369
+    0SOL     H3    3   0.002056  -0.179149  -0.083827
+    1SOL     O4    4  -0.004891   0.094317   0.100661
+    1SOL     H5    5   0.084420   0.077121   0.130496
+    1SOL     H6    6  -0.021826   0.026495   0.035272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063367  -0.003163  -0.119615
+    0SOL     H2    2  -0.039560  -0.029353  -0.030679
+    0SOL     H3    3  -0.047406  -0.081200  -0.172697
+    1SOL     O4    4   0.059987   0.002331   0.116090
+    1SOL     H5    5   0.109422   0.064764   0.062981
+    1SOL     H6    6   0.032034   0.052700   0.192536
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108898   0.084988   0.005096
+    0SOL     H2    2  -0.053932   0.163276   0.008564
+    0SOL     H3    3  -0.047096   0.012747  -0.006041
+    1SOL     O4    4   0.096399  -0.088314  -0.002347
+    1SOL     H5    5   0.122364  -0.073707  -0.093313
+    1SOL     H6    6   0.167953  -0.051215   0.049287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000092   0.127326   0.053984
+    0SOL     H2    2  -0.034588   0.043667   0.022988
+    0SOL     H3    3   0.070408   0.103282   0.114316
+    1SOL     O4    4  -0.005349  -0.118216  -0.051223
+    1SOL     H5    5  -0.015953  -0.209324  -0.078592
+    1SOL     H6    6   0.065103  -0.084567  -0.106600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104964   0.069470   0.032700
+    0SOL     H2    2  -0.069641   0.151608   0.066876
+    0SOL     H3    3  -0.150801   0.030285   0.107036
+    1SOL     O4    4   0.102954  -0.076659  -0.043132
+    1SOL     H5    5   0.050600  -0.018419   0.011909
+    1SOL     H6    6   0.193654  -0.054334  -0.022217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122092   0.043669  -0.041158
+    0SOL     H2    2  -0.151046   0.132135  -0.018846
+    0SOL     H3    3  -0.031924   0.039190  -0.009347
+    1SOL     O4    4   0.114343  -0.042441   0.037275
+    1SOL     H5    5   0.200691  -0.053346  -0.002567
+    1SOL     H6    6   0.104375  -0.118737   0.094213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067418  -0.042459  -0.099642
+    0SOL     H2    2   0.095728   0.012629  -0.172623
+    0SOL     H3    3   0.038576  -0.123906  -0.140834
+    1SOL     O4    4  -0.070555   0.039508   0.110284
+    1SOL     H5    5  -0.058187   0.132260   0.130440
+    1SOL     H6    6  -0.026619   0.027167   0.026143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074039  -0.102990   0.037549
+    0SOL     H2    2   0.038390  -0.189704   0.056843
+    0SOL     H3    3   0.098029  -0.106960  -0.055031
+    1SOL     O4    4  -0.079876   0.109316  -0.035095
+    1SOL     H5    5  -0.000997   0.156437  -0.061932
+    1SOL     H6    6  -0.048282   0.042016   0.025194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118426   0.025798   0.058809
+    0SOL     H2    2   0.136135   0.002061   0.149833
+    0SOL     H3    3   0.047465   0.089822   0.064073
+    1SOL     O4    4  -0.118942  -0.025903  -0.069727
+    1SOL     H5    5  -0.024827  -0.043065  -0.066558
+    1SOL     H6    6  -0.150945  -0.051582   0.016752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098795   0.086574  -0.011547
+    0SOL     H2    2  -0.136243   0.114087  -0.095231
+    0SOL     H3    3  -0.042060   0.159175   0.014384
+    1SOL     O4    4   0.103150  -0.091814   0.010458
+    1SOL     H5    5   0.086930  -0.160178   0.075463
+    1SOL     H6    6   0.028043  -0.032987   0.018247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045717   0.102171   0.064039
+    0SOL     H2    2   0.050337   0.195780   0.083492
+    0SOL     H3    3   0.135860   0.071290   0.073147
+    1SOL     O4    4  -0.050469  -0.111579  -0.061707
+    1SOL     H5    5  -0.045761  -0.020444  -0.032816
+    1SOL     H6    6  -0.067831  -0.106098  -0.155679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087032  -0.090983  -0.040555
+    0SOL     H2    2  -0.109470  -0.183231  -0.052770
+    0SOL     H3    3  -0.101106  -0.075015   0.052769
+    1SOL     O4    4   0.088752   0.100684   0.039142
+    1SOL     H5    5   0.018230   0.050735  -0.002016
+    1SOL     H6    6   0.168507   0.053001   0.016168
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060609  -0.128096  -0.008100
+    0SOL     H2    2   0.111874  -0.074306  -0.068440
+    0SOL     H3    3   0.017019  -0.065001   0.049183
+    1SOL     O4    4  -0.055233   0.123656   0.005544
+    1SOL     H5    5  -0.075441   0.111848   0.098359
+    1SOL     H6    6  -0.133198   0.092157  -0.040188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070716  -0.096171  -0.055457
+    0SOL     H2    2  -0.139881  -0.158500  -0.033242
+    0SOL     H3    3  -0.100786  -0.054782  -0.136359
+    1SOL     O4    4   0.081994   0.098120   0.060134
+    1SOL     H5    5   0.034623   0.025209   0.020107
+    1SOL     H6    6   0.016266   0.167033   0.069785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051605   0.035669   0.117374
+    0SOL     H2    2   0.145560   0.035061   0.099086
+    0SOL     H3    3   0.042461  -0.015565   0.197710
+    1SOL     O4    4  -0.062326  -0.036005  -0.122539
+    1SOL     H5    5   0.017682  -0.033617  -0.175031
+    1SOL     H6    6  -0.039725   0.010866  -0.042198
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010356  -0.081875   0.113594
+    0SOL     H2    2  -0.020924  -0.030922   0.033254
+    0SOL     H3    3  -0.098262  -0.085780   0.151273
+    1SOL     O4    4   0.012430   0.078762  -0.106122
+    1SOL     H5    5  -0.000466   0.038547  -0.192022
+    1SOL     H6    6   0.096884   0.123301  -0.112910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066572  -0.122557   0.014034
+    0SOL     H2    2   0.037396  -0.032580   0.028700
+    0SOL     H3    3   0.130153  -0.138828   0.083713
+    1SOL     O4    4  -0.063909   0.115882  -0.013794
+    1SOL     H5    5  -0.150407   0.083787  -0.039293
+    1SOL     H6    6  -0.048821   0.191672  -0.070279
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080562   0.075837   0.072747
+    0SOL     H2    2   0.165642   0.060768   0.031557
+    0SOL     H3    3   0.101658   0.111274   0.159127
+    1SOL     O4    4  -0.086023  -0.083238  -0.077332
+    1SOL     H5    5  -0.132128  -0.011571  -0.120927
+    1SOL     H6    6  -0.045823  -0.042694  -0.000504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123307   0.051958  -0.054981
+    0SOL     H2    2  -0.031090   0.047394  -0.029734
+    0SOL     H3    3  -0.171254   0.039982   0.026995
+    1SOL     O4    4   0.117250  -0.049932   0.043248
+    1SOL     H5    5   0.087669  -0.078006   0.129845
+    1SOL     H6    6   0.212024  -0.040024   0.052307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061279  -0.117899   0.031296
+    0SOL     H2    2  -0.039174  -0.115599   0.124400
+    0SOL     H3    3  -0.155855  -0.132535   0.029439
+    1SOL     O4    4   0.066596   0.125155  -0.040023
+    1SOL     H5    5  -0.010314   0.068198  -0.038255
+    1SOL     H6    6   0.132259   0.078422   0.011616
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031240   0.069385   0.118572
+    0SOL     H2    2   0.016486   0.156495   0.155403
+    0SOL     H3    3   0.041180   0.084444   0.024568
+    1SOL     O4    4  -0.031268  -0.070303  -0.120243
+    1SOL     H5    5  -0.042704  -0.164764  -0.130673
+    1SOL     H6    6  -0.014747  -0.058312  -0.026725
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097555   0.063940   0.076231
+    0SOL     H2    2  -0.176188   0.009490   0.080031
+    0SOL     H3    3  -0.116573   0.128867   0.008518
+    1SOL     O4    4   0.105055  -0.070517  -0.070428
+    1SOL     H5    5   0.016000  -0.036499  -0.061812
+    1SOL     H6    6   0.152643  -0.001693  -0.116915
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002079  -0.079926   0.122724
+    0SOL     H2    2  -0.017981  -0.035050   0.039684
+    0SOL     H3    3  -0.027370  -0.016300   0.189615
+    1SOL     O4    4   0.006123   0.071115  -0.116313
+    1SOL     H5    5  -0.061972   0.137525  -0.127043
+    1SOL     H6    6   0.039489   0.056437  -0.204821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055890  -0.125653   0.049347
+    0SOL     H2    2  -0.004555  -0.157298   0.116484
+    0SOL     H3    3   0.025485  -0.037086   0.029503
+    1SOL     O4    4  -0.050042   0.120367  -0.045151
+    1SOL     H5    5   0.005213   0.181099  -0.094354
+    1SOL     H6    6  -0.116496   0.092103  -0.107979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086203   0.046202  -0.110312
+    0SOL     H2    2  -0.038405   0.022759  -0.030763
+    0SOL     H3    3  -0.166596   0.087455  -0.078727
+    1SOL     O4    4   0.081846  -0.046358   0.102499
+    1SOL     H5    5   0.131981  -0.009914   0.175442
+    1SOL     H6    6   0.145773  -0.096963   0.052351
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068251   0.131687  -0.001463
+    0SOL     H2    2  -0.010790   0.055140  -0.002530
+    0SOL     H3    3  -0.084785   0.150572  -0.093834
+    1SOL     O4    4   0.065296  -0.121446   0.005810
+    1SOL     H5    5   0.039482  -0.161009   0.089061
+    1SOL     H6    6   0.097025  -0.194834  -0.046820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120712  -0.092369   0.002898
+    0SOL     H2    2  -0.108303  -0.019855  -0.058339
+    0SOL     H3    3  -0.055573  -0.077341   0.071406
+    1SOL     O4    4   0.117117   0.082431   0.001775
+    1SOL     H5    5   0.090492   0.174127   0.008496
+    1SOL     H6    6   0.124199   0.066333  -0.092316
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118632   0.067465  -0.063755
+    0SOL     H2    2   0.175310   0.036549   0.006914
+    0SOL     H3    3   0.030354   0.064181  -0.026896
+    1SOL     O4    4  -0.112683  -0.062678   0.056684
+    1SOL     H5    5  -0.202895  -0.031507   0.063922
+    1SOL     H6    6  -0.114857  -0.151139   0.093186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046453  -0.028024   0.130705
+    0SOL     H2    2  -0.077497   0.013707   0.211061
+    0SOL     H3    3  -0.103311  -0.104242   0.119733
+    1SOL     O4    4   0.046105   0.029227  -0.138152
+    1SOL     H5    5   0.125745   0.075639  -0.163950
+    1SOL     H6    6   0.065300  -0.004586  -0.050684
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125357  -0.073124  -0.040282
+    0SOL     H2    2  -0.175578  -0.110089   0.032338
+    0SOL     H3    3  -0.043201  -0.044367  -0.000460
+    1SOL     O4    4   0.119322   0.073178   0.038517
+    1SOL     H5    5   0.189860   0.012148   0.017022
+    1SOL     H6    6   0.125910   0.141816  -0.027873
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088037  -0.016451   0.120759
+    0SOL     H2    2   0.116029  -0.106038   0.139544
+    0SOL     H3    3   0.039555  -0.023206   0.038503
+    1SOL     O4    4  -0.080882   0.020273  -0.114470
+    1SOL     H5    5  -0.105836  -0.000034  -0.204621
+    1SOL     H6    6  -0.157080   0.065324  -0.078046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050898  -0.055441   0.128941
+    0SOL     H2    2  -0.006708   0.012424   0.164130
+    0SOL     H3    3   0.131680  -0.009172   0.106671
+    1SOL     O4    4  -0.053213   0.048584  -0.135824
+    1SOL     H5    5  -0.073335   0.118621  -0.073759
+    1SOL     H6    6  -0.016254  -0.021357  -0.081929
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055690  -0.093094   0.097549
+    0SOL     H2    2  -0.142031  -0.052458   0.090044
+    0SOL     H3    3  -0.027276  -0.072792   0.186672
+    1SOL     O4    4   0.062942   0.086225  -0.107321
+    1SOL     H5    5   0.065967   0.179187  -0.084713
+    1SOL     H6    6  -0.006604   0.050368  -0.052185
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018109   0.101652   0.108163
+    0SOL     H2    2  -0.032613   0.040273   0.180167
+    0SOL     H3    3  -0.093735   0.160261   0.110987
+    1SOL     O4    4   0.021506  -0.107375  -0.115239
+    1SOL     H5    5   0.032552  -0.096384  -0.020796
+    1SOL     H6    6   0.035838  -0.019921  -0.151416
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.143165  -0.022923  -0.049582
+    0SOL     H2    2   0.166916   0.046570   0.011810
+    0SOL     H3    3   0.143004   0.019763  -0.135257
+    1SOL     O4    4  -0.149339   0.012429   0.054757
+    1SOL     H5    5  -0.146489   0.107152   0.041273
+    1SOL     H6    6  -0.073010  -0.020840   0.007540
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104689  -0.120667  -0.009511
+    0SOL     H2    2  -0.049386  -0.187925  -0.049265
+    0SOL     H3    3  -0.045022  -0.047963   0.008272
+    1SOL     O4    4   0.094319   0.115393   0.010582
+    1SOL     H5    5   0.175624   0.130942   0.058646
+    1SOL     H6    6   0.073480   0.199880  -0.029292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099843  -0.069751  -0.089407
+    0SOL     H2    2   0.195031  -0.066944  -0.079733
+    0SOL     H3    3   0.085179  -0.065242  -0.183890
+    1SOL     O4    4  -0.104567   0.072394   0.099839
+    1SOL     H5    5  -0.034436   0.019295   0.062098
+    1SOL     H6    6  -0.174566   0.069565   0.034613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.136541   0.025119   0.068443
+    0SOL     H2    2   0.124694  -0.025021   0.149115
+    0SOL     H3    3   0.158748   0.113382   0.098087
+    1SOL     O4    4  -0.140187  -0.024531  -0.079002
+    1SOL     H5    5  -0.051468  -0.059922  -0.085232
+    1SOL     H6    6  -0.167357  -0.043540   0.010791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077459   0.129757  -0.043100
+    0SOL     H2    2  -0.024501   0.157681   0.031587
+    0SOL     H3    3  -0.159422   0.178336  -0.033902
+    1SOL     O4    4   0.077397  -0.140927   0.039300
+    1SOL     H5    5   0.081329  -0.074198   0.107813
+    1SOL     H6    6   0.103063  -0.094852  -0.040579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073495  -0.094839  -0.113324
+    0SOL     H2    2   0.012274  -0.045117  -0.059084
+    0SOL     H3    3   0.080310  -0.179918  -0.069994
+    1SOL     O4    4  -0.071135   0.091234   0.103977
+    1SOL     H5    5  -0.125285   0.126153   0.174764
+    1SOL     H6    6  -0.000532   0.155098   0.094030
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038788   0.135299  -0.087237
+    0SOL     H2    2  -0.003059   0.142668  -0.173009
+    0SOL     H3    3   0.029015   0.043056  -0.063611
+    1SOL     O4    4  -0.033569  -0.125370   0.092980
+    1SOL     H5    5  -0.121941  -0.140338   0.059383
+    1SOL     H6    6   0.010520  -0.209740   0.082974
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077365  -0.004249  -0.146781
+    0SOL     H2    2  -0.022134  -0.044347  -0.213892
+    0SOL     H3    3  -0.017441   0.014784  -0.074606
+    1SOL     O4    4   0.070977   0.010341   0.142261
+    1SOL     H5    5   0.058902   0.015530   0.237074
+    1SOL     H6    6   0.080296  -0.083224   0.124341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000529  -0.107197   0.115751
+    0SOL     H2    2  -0.069198  -0.094740   0.180134
+    0SOL     H3    3   0.031803  -0.196337   0.131188
+    1SOL     O4    4   0.003571   0.117466  -0.117689
+    1SOL     H5    5   0.009611   0.028559  -0.082740
+    1SOL     H6    6  -0.029985   0.106069  -0.206607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.166138  -0.001357  -0.028177
+    0SOL     H2    2   0.125072   0.045248  -0.101005
+    0SOL     H3    3   0.174819  -0.091490  -0.059208
+    1SOL     O4    4  -0.171227   0.002269   0.036011
+    1SOL     H5    5  -0.118268   0.078072   0.060740
+    1SOL     H6    6  -0.114491  -0.048846  -0.021701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066898  -0.151753  -0.037472
+    0SOL     H2    2  -0.047399  -0.199500  -0.118109
+    0SOL     H3    3  -0.011820  -0.193254   0.028908
+    1SOL     O4    4   0.058320   0.155157   0.034738
+    1SOL     H5    5   0.072301   0.143531   0.128715
+    1SOL     H6    6   0.139917   0.193797   0.002936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097603   0.125956  -0.074248
+    0SOL     H2    2  -0.079684   0.150347  -0.165057
+    0SOL     H3    3  -0.030518   0.171587  -0.023457
+    1SOL     O4    4   0.096492  -0.135802   0.077158
+    1SOL     H5    5   0.125299  -0.044559   0.074479
+    1SOL     H6    6   0.000973  -0.130934   0.073323
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122142  -0.098717  -0.090947
+    0SOL     H2    2   0.054532  -0.126065  -0.028954
+    0SOL     H3    3   0.201497  -0.143109  -0.061040
+    1SOL     O4    4  -0.119722   0.108024   0.086531
+    1SOL     H5    5  -0.181634   0.086797   0.016683
+    1SOL     H6    6  -0.114211   0.028050   0.138839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079411  -0.024174   0.155364
+    0SOL     H2    2  -0.151833  -0.080925   0.181759
+    0SOL     H3    3  -0.021891  -0.021537   0.231829
+    1SOL     O4    4   0.086223   0.027384  -0.162683
+    1SOL     H5    5   0.020731  -0.037095  -0.189437
+    1SOL     H6    6   0.038117   0.088909  -0.107340
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042998   0.178604  -0.031639
+    0SOL     H2    2   0.106691   0.152200   0.034755
+    0SOL     H3    3  -0.042134   0.163739   0.009519
+    1SOL     O4    4  -0.040185  -0.170243   0.028228
+    1SOL     H5    5   0.003563  -0.220751  -0.040309
+    1SOL     H6    6  -0.113431  -0.225424   0.055657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125469   0.142377   0.009059
+    0SOL     H2    2   0.053717   0.089662   0.044203
+    0SOL     H3    3   0.145546   0.102254  -0.075496
+    1SOL     O4    4  -0.125120  -0.137382  -0.001058
+    1SOL     H5    5  -0.077390  -0.209629  -0.041856
+    1SOL     H6    6  -0.125368  -0.068322  -0.067339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079482   0.158563   0.079005
+    0SOL     H2    2   0.014422   0.145350   0.065976
+    0SOL     H3    3  -0.117949   0.144325  -0.007481
+    1SOL     O4    4   0.081767  -0.153410  -0.075258
+    1SOL     H5    5  -0.006388  -0.148661  -0.112249
+    1SOL     H6    6   0.076861  -0.223721  -0.010492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031719  -0.007600  -0.185572
+    0SOL     H2    2  -0.035653  -0.098746  -0.156602
+    0SOL     H3    3  -0.002069  -0.012561  -0.276449
+    1SOL     O4    4   0.033708   0.016519   0.193742
+    1SOL     H5    5   0.065653  -0.023027   0.112638
+    1SOL     H6    6  -0.060168  -0.002173   0.194205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002405   0.080768  -0.177606
+    0SOL     H2    2   0.009052   0.175692  -0.182132
+    0SOL     H3    3  -0.013200   0.062320  -0.084303
+    1SOL     O4    4   0.002676  -0.081601   0.166336
+    1SOL     H5    5   0.064075  -0.146621   0.200466
+    1SOL     H6    6  -0.067732  -0.078752   0.231119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000571  -0.195365   0.013677
+    0SOL     H2    2  -0.023459  -0.109606  -0.022154
+    0SOL     H3    3  -0.028455  -0.257641  -0.053453
+    1SOL     O4    4   0.003299   0.195216  -0.014916
+    1SOL     H5    5  -0.033942   0.119757   0.030706
+    1SOL     H6    6   0.038247   0.250612   0.054885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077136   0.167258   0.085033
+    0SOL     H2    2   0.164646   0.139403   0.058044
+    0SOL     H3    3   0.020848   0.144630   0.010993
+    1SOL     O4    4  -0.075080  -0.158548  -0.081412
+    1SOL     H5    5  -0.083757  -0.191899   0.007890
+    1SOL     H6    6  -0.126239  -0.219328  -0.134805
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139627  -0.120590  -0.091491
+    0SOL     H2    2  -0.217983  -0.086584  -0.048289
+    0SOL     H3    3  -0.076812  -0.133648  -0.020455
+    1SOL     O4    4   0.134174   0.116807   0.087709
+    1SOL     H5    5   0.216042   0.131889   0.134958
+    1SOL     H6    6   0.152284   0.146039  -0.001621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031011   0.203170  -0.016731
+    0SOL     H2    2   0.058446   0.224508   0.009808
+    0SOL     H3    3  -0.073956   0.175065   0.064066
+    1SOL     O4    4   0.031409  -0.196859   0.009470
+    1SOL     H5    5   0.033524  -0.263983   0.077677
+    1SOL     H6    6  -0.028448  -0.231675  -0.056615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.196729  -0.055527   0.072856
+    0SOL     H2    2  -0.170888   0.035241   0.056864
+    0SOL     H3    3  -0.114668  -0.104717   0.069904
+    1SOL     O4    4   0.188886   0.052706  -0.065976
+    1SOL     H5    5   0.138233   0.017624  -0.139228
+    1SOL     H6    6   0.263503   0.096328  -0.107106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038512   0.089667   0.183897
+    0SOL     H2    2   0.018350   0.153115   0.115120
+    0SOL     H3    3   0.069544   0.142802   0.257218
+    1SOL     O4    4  -0.036431  -0.090366  -0.186894
+    1SOL     H5    5  -0.130374  -0.106960  -0.179043
+    1SOL     H6    6   0.004861  -0.165838  -0.144926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116418  -0.026276   0.172350
+    0SOL     H2    2   0.201781  -0.068746   0.163877
+    0SOL     H3    3   0.133811   0.066235   0.154983
+    1SOL     O4    4  -0.124562   0.028542  -0.165995
+    1SOL     H5    5  -0.121380  -0.066397  -0.154215
+    1SOL     H6    6  -0.091705   0.042825  -0.254757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103137   0.065370   0.178046
+    0SOL     H2    2  -0.044945   0.140089   0.164149
+    0SOL     H3    3  -0.051625   0.004317   0.230784
+    1SOL     O4    4   0.099002  -0.062358  -0.176845
+    1SOL     H5    5   0.015018  -0.104249  -0.158025
+    1SOL     H6    6   0.128540  -0.103281  -0.258179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036693   0.150833   0.142094
+    0SOL     H2    2  -0.025818   0.239678   0.176015
+    0SOL     H3    3  -0.086998   0.105346   0.209642
+    1SOL     O4    4   0.043099  -0.156281  -0.143246
+    1SOL     H5    5   0.033990  -0.062231  -0.158542
+    1SOL     H6    6  -0.013802  -0.196854  -0.208656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033672   0.088975  -0.199666
+    0SOL     H2    2  -0.113839   0.101648  -0.148923
+    0SOL     H3    3   0.018168   0.167629  -0.182682
+    1SOL     O4    4   0.030259  -0.098111   0.197113
+    1SOL     H5    5   0.104671  -0.118955   0.140628
+    1SOL     H6    6   0.047575  -0.009093   0.227744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021194   0.207306   0.095603
+    0SOL     H2    2  -0.067443   0.237794   0.076207
+    0SOL     H3    3   0.057957   0.184513   0.010214
+    1SOL     O4    4  -0.018385  -0.212388  -0.094823
+    1SOL     H5    5   0.049472  -0.149840  -0.069415
+    1SOL     H6    6  -0.090372  -0.195738  -0.033971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091884   0.169543  -0.113689
+    0SOL     H2    2  -0.128087   0.225548  -0.045022
+    0SOL     H3    3  -0.084670   0.226811  -0.190047
+    1SOL     O4    4   0.091337  -0.180630   0.116508
+    1SOL     H5    5   0.069208  -0.088501   0.130108
+    1SOL     H6    6   0.159472  -0.179275   0.049292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001678   0.218612   0.096644
+    0SOL     H2    2  -0.047245   0.221505   0.012515
+    0SOL     H3    3   0.087308   0.247734   0.076753
+    1SOL     O4    4   0.004514  -0.216783  -0.093285
+    1SOL     H5    5  -0.063297  -0.194146  -0.029633
+    1SOL     H6    6  -0.020107  -0.303800  -0.124657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.173566   0.154199  -0.072444
+    0SOL     H2    2   0.200738   0.234290  -0.027616
+    0SOL     H3    3   0.189563   0.084486  -0.008832
+    1SOL     O4    4  -0.172411  -0.154745   0.061771
+    1SOL     H5    5  -0.196300  -0.231186   0.114195
+    1SOL     H6    6  -0.213191  -0.080912   0.107027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034235   0.209294  -0.115697
+    0SOL     H2    2  -0.010364   0.252773  -0.188380
+    0SOL     H3    3   0.125250   0.201855  -0.144389
+    1SOL     O4    4  -0.035617  -0.215470   0.116559
+    1SOL     H5    5  -0.065237  -0.124696   0.109850
+    1SOL     H6    6  -0.027199  -0.231078   0.210623
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109569  -0.072355  -0.208560
+    0SOL     H2    2   0.153565  -0.093457  -0.126211
+    0SOL     H3    3   0.171245  -0.015676  -0.254883
+    1SOL     O4    4  -0.109105   0.069735   0.204211
+    1SOL     H5    5  -0.180993   0.123929   0.171692
+    1SOL     H6    6  -0.144212   0.027971   0.282859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077858   0.152501   0.185532
+    0SOL     H2    2   0.132892   0.087489   0.141862
+    0SOL     H3    3   0.004849   0.101993   0.221320
+    1SOL     O4    4  -0.075604  -0.149936  -0.190310
+    1SOL     H5    5  -0.149575  -0.090984  -0.175637
+    1SOL     H6    6  -0.019280  -0.137231  -0.113966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.131526  -0.138651  -0.161971
+    0SOL     H2    2  -0.062464  -0.179985  -0.213781
+    0SOL     H3    3  -0.171135  -0.210697  -0.112953
+    1SOL     O4    4   0.130944   0.139305   0.159333
+    1SOL     H5    5   0.143310   0.226868   0.122697
+    1SOL     H6    6   0.095063   0.154703   0.246727
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028076   0.092039  -0.236004
+    0SOL     H2    2  -0.103849   0.104145  -0.293225
+    0SOL     H3    3  -0.062907   0.102685  -0.147484
+    1SOL     O4    4   0.034859  -0.088621   0.237717
+    1SOL     H5    5   0.095398  -0.162627   0.233186
+    1SOL     H6    6  -0.031413  -0.107729   0.171345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.217794   0.051777  -0.141862
+    0SOL     H2    2  -0.127696   0.070752  -0.168026
+    0SOL     H3    3  -0.259961   0.137574  -0.137047
+    1SOL     O4    4   0.217549  -0.054325   0.147241
+    1SOL     H5    5   0.158218  -0.030945   0.075858
+    1SOL     H6    6   0.227515  -0.149253   0.140047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075234   0.199371  -0.175965
+    0SOL     H2    2   0.093282   0.255439  -0.100513
+    0SOL     H3    3   0.023903   0.254458  -0.235066
+    1SOL     O4    4  -0.077699  -0.202535   0.170154
+    1SOL     H5    5   0.000578  -0.159830   0.204957
+    1SOL     H6    6  -0.085275  -0.283540   0.220583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031064  -0.173942  -0.243424
+    0SOL     H2    2   0.032380  -0.082585  -0.214885
+    0SOL     H3    3   0.042999  -0.169621  -0.338299
+    1SOL     O4    4  -0.030033   0.169663   0.241167
+    1SOL     H5    5  -0.114758   0.137592   0.272075
+    1SOL     H6    6   0.021315   0.182502   0.320923
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041066  -0.275168  -0.158164
+    0SOL     H2    2  -0.036839  -0.328547  -0.142553
+    0SOL     H3    3   0.077603  -0.259969  -0.071006
+    1SOL     O4    4  -0.039116   0.270134   0.153135
+    1SOL     H5    5  -0.100877   0.338999   0.177742
+    1SOL     H6    6   0.031957   0.316385   0.108730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004723  -0.344950   0.003615
+    0SOL     H2    2  -0.090918  -0.344471   0.007459
+    0SOL     H3    3   0.025081  -0.379981  -0.083106
+    1SOL     O4    4  -0.000575   0.351002   0.005683
+    1SOL     H5    5   0.026444   0.358648  -0.085826
+    1SOL     H6    6  -0.031225   0.260722   0.014193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097083  -0.089334   0.321540
+    0SOL     H2    2   0.153924  -0.016612   0.296184
+    0SOL     H3    3   0.093543  -0.084841   0.417089
+    1SOL     O4    4  -0.096020   0.083135  -0.321324
+    1SOL     H5    5  -0.093660   0.151735  -0.388038
+    1SOL     H6    6  -0.179906   0.039138  -0.335099
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023160  -0.396349   0.181784
+    0SOL     H2    2  -0.032638  -0.432172   0.112751
+    0SOL     H3    3   0.106283  -0.442789   0.171973
+    1SOL     O4    4  -0.025533   0.403383  -0.170164
+    1SOL     H5    5   0.054666   0.377477  -0.215545
+    1SOL     H6    6  -0.093930   0.397101  -0.236832
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.309198  -0.270368   0.278299
+    0SOL     H2    2  -0.242955  -0.243862   0.214491
+    0SOL     H3    3  -0.307452  -0.201476   0.344730
+    1SOL     O4    4   0.301369   0.263531  -0.274221
+    1SOL     H5    5   0.360914   0.206438  -0.322772
+    1SOL     H6    6   0.320233   0.351418  -0.307120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.282685  -0.180169  -0.394725
+    0SOL     H2    2  -0.255198  -0.190285  -0.303596
+    0SOL     H3    3  -0.210691  -0.132807  -0.436391
+    1SOL     O4    4   0.281606   0.180470   0.387537
+    1SOL     H5    5   0.194364   0.146471   0.367659
+    1SOL     H6    6   0.289378   0.172507   0.482608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.475617   0.102239  -0.205250
+    0SOL     H2    2  -0.504854   0.093803  -0.114496
+    0SOL     H3    3  -0.435125   0.188871  -0.209464
+    1SOL     O4    4   0.470822  -0.112044   0.199165
+    1SOL     H5    5   0.449122  -0.019155   0.191219
+    1SOL     H6    6   0.562262  -0.112993   0.227454
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.323337  -0.379603  -0.701422
+    0SOL     H2    2  -0.288483  -0.366307  -0.789574
+    0SOL     H3    3  -0.263597  -0.331168  -0.644436
+    1SOL     O4    4   0.322479   0.380542   0.702305
+    1SOL     H5    5   0.238364   0.388978   0.747202
+    1SOL     H6    6   0.323282   0.290607   0.669543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.843467   0.257505   0.295011
+    0SOL     H2    2   0.844003   0.333404   0.236690
+    0SOL     H3    3   0.753076   0.226097   0.292696
+    1SOL     O4    4  -0.840710  -0.253024  -0.292728
+    1SOL     H5    5  -0.894871  -0.330845  -0.305876
+    1SOL     H6    6  -0.754418  -0.287454  -0.269695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/410K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.659395  -0.738870  -0.234141
+    0SOL     H2    2  -0.729425  -0.689736  -0.277083
+    0SOL     H3    3  -0.584199  -0.679659  -0.235527
+    1SOL     O4    4   0.656803   0.735561   0.242196
+    1SOL     H5    5   0.708483   0.655341   0.234703
+    1SOL     H6    6   0.648465   0.767227   0.152251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057551  -0.017849   0.116396
+    0SOL     H2    2  -0.006048  -0.026432   0.196621
+    0SOL     H3    3   0.004346   0.015870   0.051633
+    1SOL     O4    4   0.054384   0.015241  -0.112002
+    1SOL     H5    5  -0.033686  -0.013742  -0.135794
+    1SOL     H6    6   0.083794   0.066785  -0.187106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042421  -0.059086  -0.100254
+    0SOL     H2    2  -0.114937  -0.023281  -0.151457
+    0SOL     H3    3  -0.041450  -0.152309  -0.121955
+    1SOL     O4    4   0.042577   0.067619   0.105017
+    1SOL     H5    5   0.030076  -0.006707   0.046011
+    1SOL     H6    6   0.122944   0.047086   0.152785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093485   0.101013  -0.012309
+    0SOL     H2    2  -0.003202   0.082539  -0.038194
+    0SOL     H3    3  -0.135141   0.014970  -0.007443
+    1SOL     O4    4   0.087386  -0.096804   0.008347
+    1SOL     H5    5   0.050175  -0.078238   0.094562
+    1SOL     H6    6   0.180410  -0.076148   0.017404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028721  -0.048122   0.114599
+    0SOL     H2    2   0.120291  -0.040561   0.141435
+    0SOL     H3    3   0.009153  -0.141521   0.122084
+    1SOL     O4    4  -0.027541   0.055315  -0.120554
+    1SOL     H5    5  -0.120287   0.048137  -0.143116
+    1SOL     H6    6  -0.022244   0.023560  -0.030410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054901   0.046678   0.103311
+    0SOL     H2    2  -0.040167  -0.015956   0.174179
+    0SOL     H3    3  -0.096165   0.121823   0.145889
+    1SOL     O4    4   0.053030  -0.050961  -0.113962
+    1SOL     H5    5   0.024895  -0.006476  -0.034013
+    1SOL     H6    6   0.145504  -0.027939  -0.122961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001348  -0.115400   0.063372
+    0SOL     H2    2   0.077810  -0.131440   0.008068
+    0SOL     H3    3  -0.067123  -0.171150   0.026412
+    1SOL     O4    4   0.001480   0.123212  -0.062867
+    1SOL     H5    5  -0.012623   0.152361   0.027209
+    1SOL     H6    6  -0.039458   0.036778  -0.066809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061068  -0.026281   0.113867
+    0SOL     H2    2   0.015027  -0.109993   0.119760
+    0SOL     H3    3   0.028330   0.024397   0.188179
+    1SOL     O4    4  -0.053806   0.029035  -0.125758
+    1SOL     H5    5  -0.144246   0.019605  -0.095859
+    1SOL     H6    6  -0.001381   0.023072  -0.045893
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034672   0.121338   0.037392
+    0SOL     H2    2  -0.036245   0.181096   0.013685
+    0SOL     H3    3   0.029785   0.114937   0.132773
+    1SOL     O4    4  -0.036266  -0.125122  -0.042779
+    1SOL     H5    5   0.008299  -0.051400  -0.001051
+    1SOL     H6    6   0.034346  -0.184401  -0.068514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055895  -0.084807   0.086687
+    0SOL     H2    2  -0.095342   0.000564   0.104518
+    0SOL     H3    3  -0.130425  -0.143851   0.075671
+    1SOL     O4    4   0.068140   0.085481  -0.090140
+    1SOL     H5    5   0.059889   0.006573  -0.036588
+    1SOL     H6    6  -0.019309   0.124391  -0.089176
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099194  -0.022523  -0.087860
+    0SOL     H2    2  -0.162381  -0.007371  -0.017574
+    0SOL     H3    3  -0.106775   0.054637  -0.143994
+    1SOL     O4    4   0.106485   0.022602   0.083990
+    1SOL     H5    5   0.116657  -0.013146   0.172200
+    1SOL     H6    6   0.038128  -0.031185   0.044033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045769  -0.095574  -0.083705
+    0SOL     H2    2   0.140693  -0.084653  -0.089417
+    0SOL     H3    3   0.032698  -0.152728  -0.008042
+    1SOL     O4    4  -0.057300   0.100641   0.082023
+    1SOL     H5    5   0.022304   0.152387   0.069859
+    1SOL     H6    6  -0.035422   0.014332   0.046887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067137   0.122778  -0.014295
+    0SOL     H2    2  -0.000484   0.054144  -0.017323
+    0SOL     H3    3  -0.066498   0.160744  -0.102162
+    1SOL     O4    4   0.060643  -0.119347   0.014086
+    1SOL     H5    5   0.017181  -0.145902   0.095130
+    1SOL     H6    6   0.154095  -0.124862   0.034050
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071622   0.124637   0.009285
+    0SOL     H2    2  -0.007853   0.150114   0.075969
+    0SOL     H3    3  -0.030442   0.051393  -0.036561
+    1SOL     O4    4   0.063645  -0.115555  -0.011093
+    1SOL     H5    5   0.140512  -0.146246   0.036989
+    1SOL     H6    6   0.022420  -0.195446  -0.043959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066639   0.091929  -0.074771
+    0SOL     H2    2   0.156413   0.097817  -0.042086
+    0SOL     H3    3   0.075310   0.053259  -0.161902
+    1SOL     O4    4  -0.073430  -0.085129   0.082532
+    1SOL     H5    5  -0.104711  -0.175387   0.076421
+    1SOL     H6    6  -0.013884  -0.075284   0.008238
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104065   0.089618   0.032869
+    0SOL     H2    2  -0.042645   0.034772  -0.015936
+    0SOL     H3    3  -0.171393   0.112971  -0.031037
+    1SOL     O4    4   0.104353  -0.081941  -0.029184
+    1SOL     H5    5   0.118740  -0.163463  -0.077240
+    1SOL     H6    6   0.095641  -0.109153   0.062172
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055154  -0.041816  -0.115141
+    0SOL     H2    2   0.070453  -0.124806  -0.160318
+    0SOL     H3    3   0.041623   0.021666  -0.185492
+    1SOL     O4    4  -0.061549   0.043900   0.120908
+    1SOL     H5    5  -0.001176   0.085172   0.182666
+    1SOL     H6    6  -0.006811  -0.016185   0.070354
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065762   0.124780  -0.038859
+    0SOL     H2    2  -0.002576   0.057767  -0.037710
+    0SOL     H3    3   0.086963   0.139021   0.053391
+    1SOL     O4    4  -0.057431  -0.118179   0.031415
+    1SOL     H5    5  -0.086056  -0.204058   0.000305
+    1SOL     H6    6  -0.124269  -0.092107   0.094782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104947  -0.002911  -0.103128
+    0SOL     H2    2   0.161687  -0.002640  -0.026038
+    0SOL     H3    3   0.016622   0.008217  -0.067957
+    1SOL     O4    4  -0.097006   0.002028   0.095452
+    1SOL     H5    5  -0.164472  -0.061977   0.072780
+    1SOL     H6    6  -0.143626   0.069644   0.144614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102953  -0.038208   0.091716
+    0SOL     H2    2  -0.124839   0.054767   0.085465
+    0SOL     H3    3  -0.029541  -0.041510   0.153053
+    1SOL     O4    4   0.099251   0.035987  -0.100045
+    1SOL     H5    5   0.030792  -0.006058  -0.048008
+    1SOL     H6    6   0.180701   0.013921  -0.054864
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130144  -0.038188   0.015911
+    0SOL     H2    2  -0.159906  -0.071973   0.100380
+    0SOL     H3    3  -0.168745  -0.097452  -0.048588
+    1SOL     O4    4   0.139056   0.039569  -0.014690
+    1SOL     H5    5   0.145496   0.130873  -0.042701
+    1SOL     H6    6   0.046579   0.017516  -0.025827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126440  -0.043885   0.031936
+    0SOL     H2    2  -0.139887   0.027562   0.094200
+    0SOL     H3    3  -0.212127  -0.056705  -0.008753
+    1SOL     O4    4   0.135790   0.043744  -0.027714
+    1SOL     H5    5   0.058740  -0.012668  -0.021125
+    1SOL     H6    6   0.155075   0.047181  -0.121409
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016224   0.051897   0.135542
+    0SOL     H2    2   0.089369   0.008597   0.179555
+    0SOL     H3    3   0.019039   0.018548   0.045863
+    1SOL     O4    4  -0.019418  -0.045966  -0.126434
+    1SOL     H5    5  -0.086779  -0.011867  -0.185273
+    1SOL     H6    6   0.029924  -0.108151  -0.179920
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077665   0.066905  -0.093992
+    0SOL     H2    2  -0.011541   0.040324  -0.157894
+    0SOL     H3    3  -0.094560   0.159008  -0.113839
+    1SOL     O4    4   0.079526  -0.074543   0.096164
+    1SOL     H5    5   0.085223  -0.023909   0.177195
+    1SOL     H6    6  -0.007882  -0.055544   0.062088
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060395   0.076919  -0.096748
+    0SOL     H2    2   0.145712   0.096768  -0.135341
+    0SOL     H3    3   0.018365   0.162273  -0.086242
+    1SOL     O4    4  -0.063984  -0.090012   0.101373
+    1SOL     H5    5  -0.111751  -0.007946   0.113452
+    1SOL     H6    6   0.006010  -0.068205   0.039829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061382   0.101051  -0.086733
+    0SOL     H2    2   0.041171   0.021710  -0.037147
+    0SOL     H3    3   0.149934   0.086604  -0.120083
+    1SOL     O4    4  -0.061120  -0.091762   0.080627
+    1SOL     H5    5  -0.091949  -0.059050   0.165136
+    1SOL     H6    6  -0.095810  -0.180814   0.075261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066304  -0.127346  -0.045228
+    0SOL     H2    2  -0.018613  -0.130087  -0.089319
+    0SOL     H3    3   0.068336  -0.041787  -0.002359
+    1SOL     O4    4  -0.056927   0.124832   0.048964
+    1SOL     H5    5  -0.066902   0.131551  -0.045997
+    1SOL     H6    6  -0.128281   0.067315   0.076581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024754   0.138110  -0.054809
+    0SOL     H2    2   0.063253   0.148259  -0.018560
+    0SOL     H3    3  -0.038066   0.043429  -0.059355
+    1SOL     O4    4   0.019337  -0.131304   0.046394
+    1SOL     H5    5  -0.038353  -0.182572   0.103015
+    1SOL     H6    6   0.091947  -0.105494   0.103175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084764   0.114160   0.040879
+    0SOL     H2    2  -0.031260   0.054997  -0.012030
+    0SOL     H3    3  -0.167568   0.120652  -0.006700
+    1SOL     O4    4   0.080310  -0.114869  -0.034041
+    1SOL     H5    5   0.163867  -0.132534   0.009185
+    1SOL     H6    6   0.097465  -0.038497  -0.089135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020998   0.047287   0.144197
+    0SOL     H2    2  -0.067089  -0.014543   0.087496
+    0SOL     H3    3   0.057723   0.070800   0.095080
+    1SOL     O4    4   0.016589  -0.046122  -0.132169
+    1SOL     H5    5  -0.012677   0.013190  -0.201363
+    1SOL     H6    6   0.095087  -0.087709  -0.167820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008041   0.142764  -0.012727
+    0SOL     H2    2  -0.066685   0.197480  -0.036904
+    0SOL     H3    3   0.023456   0.162642   0.079628
+    1SOL     O4    4  -0.010952  -0.149694   0.007889
+    1SOL     H5    5   0.066199  -0.193646   0.043641
+    1SOL     H6    6   0.018868  -0.060818  -0.011455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016256  -0.008532  -0.141811
+    0SOL     H2    2  -0.002621   0.073316  -0.187713
+    0SOL     H3    3   0.096898  -0.040633  -0.182168
+    1SOL     O4    4  -0.020652   0.001585   0.150212
+    1SOL     H5    5  -0.037418   0.001683   0.055972
+    1SOL     H6    6   0.020518   0.086282   0.167352
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124547  -0.060687  -0.061585
+    0SOL     H2    2   0.029866  -0.047244  -0.057448
+    0SOL     H3    3   0.138466  -0.146111  -0.020702
+    1SOL     O4    4  -0.119521   0.059027   0.055476
+    1SOL     H5    5  -0.054171   0.127046   0.071756
+    1SOL     H6    6  -0.194075   0.083795   0.110163
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006654  -0.064539  -0.130388
+    0SOL     H2    2   0.069643  -0.121651  -0.121487
+    0SOL     H3    3  -0.075769  -0.121826  -0.163608
+    1SOL     O4    4   0.007601   0.066822   0.136950
+    1SOL     H5    5  -0.018492   0.028283   0.053307
+    1SOL     H6    6   0.006854   0.161226   0.121150
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070912  -0.091750   0.092842
+    0SOL     H2    2  -0.010784  -0.166224   0.092082
+    0SOL     H3    3  -0.131536  -0.109116   0.020831
+    1SOL     O4    4   0.069973   0.093227  -0.092879
+    1SOL     H5    5   0.020725   0.102393  -0.011313
+    1SOL     H6    6   0.142532   0.155048  -0.084179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061968  -0.115035  -0.066073
+    0SOL     H2    2  -0.059146  -0.141939  -0.157891
+    0SOL     H3    3  -0.150076  -0.079577  -0.054152
+    1SOL     O4    4   0.065527   0.117648   0.076158
+    1SOL     H5    5   0.129254   0.131340   0.006060
+    1SOL     H6    6   0.004448   0.052998   0.040774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124771   0.041144  -0.077760
+    0SOL     H2    2   0.209969   0.049888  -0.035015
+    0SOL     H3    3   0.064959   0.016435  -0.007232
+    1SOL     O4    4  -0.120919  -0.041074   0.075871
+    1SOL     H5    5  -0.120566  -0.056291  -0.018631
+    1SOL     H6    6  -0.210118  -0.012224   0.095200
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011893   0.150091  -0.034790
+    0SOL     H2    2   0.103802   0.166416  -0.055967
+    0SOL     H3    3   0.007703   0.056148  -0.016916
+    1SOL     O4    4  -0.018654  -0.138744   0.033694
+    1SOL     H5    5  -0.047285  -0.218755  -0.010360
+    1SOL     H6    6   0.046827  -0.168294   0.096950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090392  -0.086115   0.075181
+    0SOL     H2    2   0.148716  -0.108732   0.147631
+    0SOL     H3    3   0.142371  -0.102544  -0.003500
+    1SOL     O4    4  -0.097199   0.091559  -0.081294
+    1SOL     H5    5  -0.027127   0.102240  -0.016966
+    1SOL     H6    6  -0.159569   0.032370  -0.039237
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.132830  -0.030073   0.079099
+    0SOL     H2    2   0.046460   0.005652   0.058454
+    0SOL     H3    3   0.152890  -0.088246   0.005778
+    1SOL     O4    4  -0.129683   0.024929  -0.071192
+    1SOL     H5    5  -0.123711   0.109798  -0.027331
+    1SOL     H6    6  -0.128248   0.046009  -0.164550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071141   0.113469  -0.084484
+    0SOL     H2    2  -0.013523   0.069213  -0.078509
+    0SOL     H3    3   0.123341   0.057724  -0.142190
+    1SOL     O4    4  -0.066310  -0.104731   0.081908
+    1SOL     H5    5  -0.112130  -0.066034   0.156510
+    1SOL     H6    6  -0.070700  -0.199093   0.097367
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139657   0.046248  -0.038001
+    0SOL     H2    2   0.127563   0.118558   0.023540
+    0SOL     H3    3   0.173944   0.087629  -0.117212
+    1SOL     O4    4  -0.144718  -0.058068   0.041979
+    1SOL     H5    5  -0.176491   0.017705  -0.007124
+    1SOL     H6    6  -0.049791  -0.046291   0.045512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044300   0.148896   0.017790
+    0SOL     H2    2   0.002596   0.200649   0.083247
+    0SOL     H3    3   0.010898   0.153247  -0.060290
+    1SOL     O4    4   0.032571  -0.154434  -0.017006
+    1SOL     H5    5   0.115162  -0.200790  -0.003141
+    1SOL     H6    6   0.058219  -0.063195  -0.030419
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019770  -0.112010  -0.118540
+    0SOL     H2    2  -0.076195  -0.159875  -0.057816
+    0SOL     H3    3  -0.016467  -0.023105  -0.083221
+    1SOL     O4    4   0.022100   0.113101   0.107758
+    1SOL     H5    5  -0.032285   0.101236   0.185629
+    1SOL     H6    6   0.095814   0.053415   0.120645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065711   0.110299   0.107253
+    0SOL     H2    2  -0.012033   0.070125   0.068470
+    0SOL     H3    3   0.138822   0.074831   0.056666
+    1SOL     O4    4  -0.062945  -0.102833  -0.096161
+    1SOL     H5    5  -0.090750  -0.193932  -0.105661
+    1SOL     H6    6  -0.084202  -0.062359  -0.180258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.151832   0.038804   0.043966
+    0SOL     H2    2  -0.062121   0.016587   0.068879
+    0SOL     H3    3  -0.176578   0.109333   0.103762
+    1SOL     O4    4   0.142686  -0.037531  -0.050735
+    1SOL     H5    5   0.163725  -0.129916  -0.064321
+    1SOL     H6    6   0.215628  -0.003691   0.001194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111794   0.011895   0.118559
+    0SOL     H2    2  -0.095919   0.044754   0.207049
+    0SOL     H3    3  -0.030156   0.028999   0.071602
+    1SOL     O4    4   0.106144  -0.018991  -0.115911
+    1SOL     H5    5   0.134098   0.071970  -0.105568
+    1SOL     H6    6   0.085631  -0.027352  -0.209032
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066838  -0.116921   0.092113
+    0SOL     H2    2   0.016873  -0.196785   0.109070
+    0SOL     H3    3   0.063670  -0.106365  -0.002970
+    1SOL     O4    4  -0.064932   0.119713  -0.081739
+    1SOL     H5    5  -0.125951   0.147939  -0.149873
+    1SOL     H6    6   0.018148   0.107212  -0.127606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148558   0.014250   0.055703
+    0SOL     H2    2   0.232392   0.016293   0.101855
+    0SOL     H3    3   0.127863   0.106282   0.039447
+    1SOL     O4    4  -0.153933  -0.013761  -0.056409
+    1SOL     H5    5  -0.065723  -0.039374  -0.083339
+    1SOL     H6    6  -0.200387  -0.096599  -0.044485
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061617   0.129402   0.089797
+    0SOL     H2    2  -0.066217   0.102712  -0.002012
+    0SOL     H3    3   0.031607   0.125763   0.111205
+    1SOL     O4    4   0.056302  -0.121817  -0.087531
+    1SOL     H5    5  -0.013170  -0.170596  -0.043299
+    1SOL     H6    6   0.128424  -0.184295  -0.095090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090067  -0.103739   0.098837
+    0SOL     H2    2   0.178666  -0.080971   0.070653
+    0SOL     H3    3   0.038172  -0.025435   0.080460
+    1SOL     O4    4  -0.088431   0.097749  -0.090906
+    1SOL     H5    5  -0.059655   0.080728  -0.180597
+    1SOL     H6    6  -0.177813   0.130709  -0.100227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036041  -0.141992  -0.072323
+    0SOL     H2    2  -0.123609  -0.171834  -0.096892
+    0SOL     H3    3  -0.017521  -0.187153   0.010017
+    1SOL     O4    4   0.040682   0.148501   0.074915
+    1SOL     H5    5   0.113500   0.110236   0.025969
+    1SOL     H6    6  -0.033555   0.144372   0.014631
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069699  -0.161975  -0.063814
+    0SOL     H2    2   0.060640  -0.199756   0.023666
+    0SOL     H3    3   0.015314  -0.083234  -0.061698
+    1SOL     O4    4  -0.068092   0.155316   0.054224
+    1SOL     H5    5   0.020177   0.178784   0.082863
+    1SOL     H6    6  -0.125953   0.209096   0.108281
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.183370  -0.080800   0.000342
+    0SOL     H2    2   0.172224   0.013134   0.014987
+    0SOL     H3    3   0.096010  -0.117664   0.013440
+    1SOL     O4    4  -0.183626   0.080301   0.000489
+    1SOL     H5    5  -0.142086  -0.002015   0.026197
+    1SOL     H6    6  -0.127129   0.115186  -0.068456
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110269   0.158923   0.043432
+    0SOL     H2    2   0.043602   0.092750   0.061841
+    0SOL     H3    3   0.106421   0.218360   0.118364
+    1SOL     O4    4  -0.108448  -0.158631  -0.042970
+    1SOL     H5    5  -0.037327  -0.214179  -0.074883
+    1SOL     H6    6  -0.134217  -0.106564  -0.119044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099450  -0.121627   0.120148
+    0SOL     H2    2  -0.184441  -0.163587   0.133493
+    0SOL     H3    3  -0.049717  -0.142464   0.199235
+    1SOL     O4    4   0.106500   0.125376  -0.120357
+    1SOL     H5    5   0.112678   0.152886  -0.211830
+    1SOL     H6    6   0.016678   0.093695  -0.110839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102181   0.174015  -0.034029
+    0SOL     H2    2  -0.038590   0.229165  -0.079603
+    0SOL     H3    3  -0.182283   0.226380  -0.032025
+    1SOL     O4    4   0.103801  -0.175958   0.031336
+    1SOL     H5    5   0.082886  -0.157663   0.122934
+    1SOL     H6    6   0.112279  -0.271212   0.027218
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038231   0.207194  -0.038968
+    0SOL     H2    2   0.120421   0.213771  -0.087587
+    0SOL     H3    3   0.037935   0.117978  -0.004289
+    1SOL     O4    4  -0.046539  -0.203264   0.046686
+    1SOL     H5    5   0.040882  -0.235386   0.024594
+    1SOL     H6    6  -0.078744  -0.163696  -0.034304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116724   0.013876  -0.173535
+    0SOL     H2    2   0.197521  -0.036673  -0.182421
+    0SOL     H3    3   0.048780  -0.042883  -0.209928
+    1SOL     O4    4  -0.115878  -0.009045   0.182547
+    1SOL     H5    5  -0.169459  -0.061114   0.122712
+    1SOL     H6    6  -0.090224   0.067601   0.131267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076885   0.149078  -0.142875
+    0SOL     H2    2  -0.054006   0.234625  -0.106537
+    0SOL     H3    3  -0.102523   0.096808  -0.066896
+    1SOL     O4    4   0.081231  -0.150213   0.140963
+    1SOL     H5    5   0.076730  -0.223345   0.079370
+    1SOL     H6    6   0.011059  -0.091247   0.113374
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119453   0.186653   0.025598
+    0SOL     H2    2  -0.148804   0.131982  -0.047285
+    0SOL     H3    3  -0.097811   0.270746  -0.014680
+    1SOL     O4    4   0.122841  -0.193810  -0.018116
+    1SOL     H5    5   0.150775  -0.121885  -0.074762
+    1SOL     H6    6   0.044706  -0.160590   0.026086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.192424   0.113923   0.005682
+    0SOL     H2    2  -0.128967   0.158880   0.061488
+    0SOL     H3    3  -0.200020   0.169672  -0.071756
+    1SOL     O4    4   0.192392  -0.125953  -0.002658
+    1SOL     H5    5   0.239203  -0.043169  -0.013511
+    1SOL     H6    6   0.100447  -0.103607  -0.017119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.156167   0.136067  -0.067497
+    0SOL     H2    2  -0.165160   0.121444  -0.161665
+    0SOL     H3    3  -0.224044   0.200237  -0.046585
+    1SOL     O4    4   0.155243  -0.143891   0.071098
+    1SOL     H5    5   0.146012  -0.048631   0.072672
+    1SOL     H6    6   0.249368  -0.159028   0.079684
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068420   0.027432   0.214496
+    0SOL     H2    2  -0.022179  -0.046511   0.253947
+    0SOL     H3    3  -0.003994   0.098217   0.213424
+    1SOL     O4    4   0.067524  -0.028006  -0.221063
+    1SOL     H5    5  -0.005232   0.034161  -0.223110
+    1SOL     H6    6   0.054573  -0.077449  -0.140131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033021  -0.218343   0.038279
+    0SOL     H2    2  -0.060812  -0.169856   0.115990
+    0SOL     H3    3   0.004739  -0.299277   0.072720
+    1SOL     O4    4   0.032830   0.217972  -0.039565
+    1SOL     H5    5  -0.040811   0.268451  -0.074079
+    1SOL     H6    6   0.095338   0.214158  -0.111956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.230691   0.028883  -0.034653
+    0SOL     H2    2   0.262147   0.093332   0.028743
+    0SOL     H3    3   0.169736   0.077559  -0.090128
+    1SOL     O4    4  -0.230097  -0.031416   0.028785
+    1SOL     H5    5  -0.259871  -0.122237   0.034024
+    1SOL     H6    6  -0.184916  -0.016147   0.111778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.103142  -0.071132  -0.198531
+    0SOL     H2    2   0.108018  -0.119299  -0.281106
+    0SOL     H3    3   0.016182  -0.031133  -0.199179
+    1SOL     O4    4  -0.096353   0.072180   0.197190
+    1SOL     H5    5  -0.159712   0.127683   0.242659
+    1SOL     H6    6  -0.073022   0.004967   0.261225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040636   0.212814  -0.101734
+    0SOL     H2    2  -0.106515   0.257090  -0.048237
+    0SOL     H3    3   0.031795   0.275164  -0.107082
+    1SOL     O4    4   0.041736  -0.224990   0.098130
+    1SOL     H5    5   0.003882  -0.181540   0.174559
+    1SOL     H6    6   0.056459  -0.154367   0.035217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037563  -0.156383  -0.198349
+    0SOL     H2    2   0.056479  -0.140372  -0.105893
+    0SOL     H3    3   0.051501  -0.071688  -0.240714
+    1SOL     O4    4  -0.039860   0.146672   0.190791
+    1SOL     H5    5   0.021407   0.219293   0.202403
+    1SOL     H6    6  -0.092967   0.147110   0.270426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002134   0.180185   0.195606
+    0SOL     H2    2  -0.054512   0.260083   0.201535
+    0SOL     H3    3   0.087937   0.209450   0.209501
+    1SOL     O4    4   0.002841  -0.181730  -0.193309
+    1SOL     H5    5  -0.038704  -0.174312  -0.279223
+    1SOL     H6    6  -0.006885  -0.274016  -0.169836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067486   0.246139  -0.177917
+    0SOL     H2    2  -0.086721   0.267586  -0.086635
+    0SOL     H3    3  -0.122819   0.170386  -0.196944
+    1SOL     O4    4   0.066994  -0.240908   0.170118
+    1SOL     H5    5   0.143499  -0.290484   0.140936
+    1SOL     H6    6   0.079017  -0.231650   0.264628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077358  -0.299684   0.030634
+    0SOL     H2    2  -0.020012  -0.327121  -0.040927
+    0SOL     H3    3  -0.165928  -0.312214  -0.003437
+    1SOL     O4    4   0.084540   0.304960  -0.023151
+    1SOL     H5    5   0.074712   0.220921  -0.067909
+    1SOL     H6    6  -0.005100   0.336097  -0.010606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107540  -0.297353  -0.058596
+    0SOL     H2    2  -0.025504  -0.271766  -0.100760
+    0SOL     H3    3  -0.108234  -0.392946  -0.063476
+    1SOL     O4    4   0.103413   0.296341   0.056612
+    1SOL     H5    5   0.173722   0.357425   0.078697
+    1SOL     H6    6   0.031046   0.321244   0.114103
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079980  -0.182388   0.265177
+    0SOL     H2    2  -0.151205  -0.226995   0.310996
+    0SOL     H3    3  -0.117604  -0.098647   0.238081
+    1SOL     O4    4   0.085362   0.174010  -0.263506
+    1SOL     H5    5   0.020803   0.222452  -0.314962
+    1SOL     H6    6   0.159876   0.233648  -0.256206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135502  -0.022077   0.337578
+    0SOL     H2    2   0.186820   0.044166   0.291311
+    0SOL     H3    3   0.087730  -0.067993   0.268499
+    1SOL     O4    4  -0.130919   0.025180  -0.328515
+    1SOL     H5    5  -0.223406   0.027876  -0.303993
+    1SOL     H6    6  -0.123335  -0.051618  -0.385144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088546  -0.078601  -0.342136
+    0SOL     H2    2   0.133006  -0.102355  -0.260764
+    0SOL     H3    3   0.135760  -0.126598  -0.410175
+    1SOL     O4    4  -0.094698   0.083344   0.347437
+    1SOL     H5    5  -0.149569   0.132285   0.286149
+    1SOL     H6    6  -0.035810   0.032548   0.291632
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121975   0.328509   0.124449
+    0SOL     H2    2   0.161813   0.319421   0.211009
+    0SOL     H3    3   0.040464   0.376083   0.140420
+    1SOL     O4    4  -0.114491  -0.328580  -0.133528
+    1SOL     H5    5  -0.205331  -0.299272  -0.140702
+    1SOL     H6    6  -0.114899  -0.390318  -0.060381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030059   0.313107   0.248581
+    0SOL     H2    2  -0.092452   0.360309   0.303731
+    0SOL     H3    3  -0.059790   0.222157   0.251135
+    1SOL     O4    4   0.036294  -0.314272  -0.257014
+    1SOL     H5    5  -0.030476  -0.320117  -0.188676
+    1SOL     H6    6   0.090304  -0.239490  -0.231461
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076283  -0.067993   0.407894
+    0SOL     H2    2   0.059897   0.005062   0.348255
+    0SOL     H3    3   0.153068  -0.111992   0.371419
+    1SOL     O4    4  -0.076418   0.061701  -0.398979
+    1SOL     H5    5  -0.054908   0.095319  -0.485982
+    1SOL     H6    6  -0.155795   0.108971  -0.373936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002257   0.153011   0.396094
+    0SOL     H2    2   0.090957   0.161866   0.415972
+    0SOL     H3    3  -0.004935   0.130581   0.303078
+    1SOL     O4    4  -0.005339  -0.153732  -0.386723
+    1SOL     H5    5  -0.026427  -0.174726  -0.477700
+    1SOL     H6    6   0.077314  -0.105711  -0.391713
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137833  -0.311130   0.264514
+    0SOL     H2    2   0.117924  -0.367579   0.339210
+    0SOL     H3    3   0.061692  -0.319532   0.207118
+    1SOL     O4    4  -0.136251   0.309841  -0.266535
+    1SOL     H5    5  -0.158250   0.400649  -0.245744
+    1SOL     H6    6  -0.041071   0.309928  -0.276692
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063537   0.449293   0.120050
+    0SOL     H2    2  -0.099849   0.528430   0.159813
+    0SOL     H3    3  -0.093935   0.378057   0.176297
+    1SOL     O4    4   0.068282  -0.454924  -0.122562
+    1SOL     H5    5   0.131391  -0.383818  -0.133672
+    1SOL     H6    6  -0.009296  -0.425870  -0.170518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095798   0.143344  -0.444107
+    0SOL     H2    2  -0.141879   0.073568  -0.397520
+    0SOL     H3    3  -0.151766   0.220275  -0.433553
+    1SOL     O4    4   0.096046  -0.140150   0.442272
+    1SOL     H5    5   0.103009  -0.232093   0.416576
+    1SOL     H6    6   0.186448  -0.108719   0.443705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.294484   0.448948  -0.021079
+    0SOL     H2    2  -0.256450   0.361788  -0.010182
+    0SOL     H3    3  -0.225264   0.508974   0.006630
+    1SOL     O4    4   0.288592  -0.443837   0.013929
+    1SOL     H5    5   0.362357  -0.465383   0.070997
+    1SOL     H6    6   0.214701  -0.492123   0.050955
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101895  -0.508093  -0.212136
+    0SOL     H2    2  -0.117427  -0.413656  -0.210500
+    0SOL     H3    3  -0.019056  -0.517981  -0.259064
+    1SOL     O4    4   0.103036   0.508794   0.215905
+    1SOL     H5    5   0.096884   0.460163   0.133688
+    1SOL     H6    6   0.034710   0.471032   0.271293
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012037   0.566999  -0.091192
+    0SOL     H2    2  -0.083450   0.560647  -0.093249
+    0SOL     H3    3   0.037162   0.524403  -0.009236
+    1SOL     O4    4  -0.003542  -0.569264   0.087494
+    1SOL     H5    5  -0.044991  -0.537125   0.007423
+    1SOL     H6    6  -0.046998  -0.521220   0.157962
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039079   0.634419  -0.355678
+    0SOL     H2    2  -0.066745   0.546757  -0.382368
+    0SOL     H3    3  -0.060747   0.639111  -0.262561
+    1SOL     O4    4   0.046276  -0.629409   0.347697
+    1SOL     H5    5  -0.048389  -0.623066   0.335025
+    1SOL     H6    6   0.057103  -0.641509   0.442030
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.163904   0.625549   0.357354
+    0SOL     H2    2   0.094096   0.638479   0.293151
+    0SOL     H3    3   0.230979   0.689368   0.333055
+    1SOL     O4    4  -0.168458  -0.627660  -0.355898
+    1SOL     H5    5  -0.107090  -0.577259  -0.302456
+    1SOL     H6    6  -0.144536  -0.719004  -0.340205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.551786  -0.599997  -0.062222
+    0SOL     H2    2  -0.456080  -0.600158  -0.063855
+    0SOL     H3    3  -0.577333  -0.628558  -0.149938
+    1SOL     O4    4   0.546228   0.606982   0.064799
+    1SOL     H5    5   0.629768   0.560948   0.056787
+    1SOL     H6    6   0.492625   0.550007   0.119961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.633642  -0.304376  -0.545841
+    0SOL     H2    2  -0.638577  -0.245616  -0.470440
+    0SOL     H3    3  -0.718444  -0.348749  -0.547276
+    1SOL     O4    4   0.637675   0.309861   0.542641
+    1SOL     H5    5   0.651567   0.239783   0.606347
+    1SOL     H6    6   0.630097   0.264717   0.458576
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/420K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.311517  -0.770823   0.323168
+    0SOL     H2    2   0.224276  -0.810208   0.323590
+    0SOL     H3    3   0.371297  -0.845012   0.313976
+    1SOL     O4    4  -0.306803   0.778768  -0.328348
+    1SOL     H5    5  -0.288427   0.818371  -0.243165
+    1SOL     H6    6  -0.376087   0.715104  -0.310771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063545  -0.028425  -0.109754
+    0SOL     H2    2   0.111190   0.054246  -0.117357
+    0SOL     H3    3   0.127030  -0.089332  -0.072042
+    1SOL     O4    4  -0.067616   0.027028   0.114663
+    1SOL     H5    5  -0.151836   0.060978   0.084386
+    1SOL     H6    6  -0.023760  -0.002875   0.035009
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027064   0.090851  -0.096728
+    0SOL     H2    2  -0.010600   0.042099  -0.016016
+    0SOL     H3    3  -0.100392   0.148553  -0.075377
+    1SOL     O4    4   0.029855  -0.085164   0.088167
+    1SOL     H5    5   0.112641  -0.132607   0.095785
+    1SOL     H6    6  -0.035984  -0.146342   0.121103
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099269  -0.084087   0.013888
+    0SOL     H2    2   0.042915  -0.134105   0.072921
+    0SOL     H3    3   0.169055  -0.050440   0.070102
+    1SOL     O4    4  -0.104681   0.088607  -0.024769
+    1SOL     H5    5  -0.084434   0.093325   0.068666
+    1SOL     H6    6  -0.040745   0.026741  -0.060086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116612  -0.033035  -0.062571
+    0SOL     H2    2   0.141499  -0.125246  -0.068912
+    0SOL     H3    3   0.052051  -0.030404   0.008050
+    1SOL     O4    4  -0.107372   0.036916   0.058300
+    1SOL     H5    5  -0.158852   0.030383   0.138733
+    1SOL     H6    6  -0.171620   0.057013  -0.009748
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048513   0.009957  -0.119691
+    0SOL     H2    2  -0.135354  -0.022120  -0.095361
+    0SOL     H3    3  -0.064446   0.068634  -0.193619
+    1SOL     O4    4   0.049660  -0.009519   0.127420
+    1SOL     H5    5   0.126662  -0.066112   0.132912
+    1SOL     H6    6   0.046413   0.017757   0.035726
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027779   0.093285   0.103220
+    0SOL     H2    2  -0.048072   0.023464   0.040966
+    0SOL     H3    3   0.059857   0.072069   0.135348
+    1SOL     O4    4   0.020564  -0.082059  -0.099277
+    1SOL     H5    5   0.032331  -0.165761  -0.054355
+    1SOL     H6    6   0.065216  -0.093370  -0.183185
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106936  -0.072735   0.025135
+    0SOL     H2    2   0.135384  -0.151434  -0.021335
+    0SOL     H3    3   0.185777  -0.041086   0.069234
+    1SOL     O4    4  -0.118751   0.077795  -0.023200
+    1SOL     H5    5  -0.076056   0.086055  -0.108472
+    1SOL     H6    6  -0.057381   0.026632   0.029510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097819   0.026653   0.087513
+    0SOL     H2    2  -0.106068   0.099115   0.149510
+    0SOL     H3    3  -0.186863   0.012204   0.055500
+    1SOL     O4    4   0.109392  -0.032977  -0.090288
+    1SOL     H5    5   0.039055  -0.023998  -0.154587
+    1SOL     H6    6   0.074604   0.007536  -0.010848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035014   0.114987  -0.059486
+    0SOL     H2    2   0.119169   0.129860  -0.102602
+    0SOL     H3    3   0.009165   0.201205  -0.026920
+    1SOL     O4    4  -0.035823  -0.127385   0.059529
+    1SOL     H5    5  -0.012853  -0.048865   0.009836
+    1SOL     H6    6  -0.104634  -0.098557   0.119499
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028397   0.136653  -0.037822
+    0SOL     H2    2  -0.035077   0.041670  -0.028021
+    0SOL     H3    3  -0.119033   0.167388  -0.036116
+    1SOL     O4    4   0.026359  -0.132422   0.036958
+    1SOL     H5    5   0.071790  -0.213189   0.012977
+    1SOL     H6    6   0.095964  -0.073405   0.065845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107547   0.033391   0.078939
+    0SOL     H2    2  -0.054758   0.086799   0.138296
+    0SOL     H3    3  -0.192735   0.026650   0.122066
+    1SOL     O4    4   0.111031  -0.042150  -0.083827
+    1SOL     H5    5   0.151032   0.022677  -0.141790
+    1SOL     H6    6   0.037637   0.003988  -0.043244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124867  -0.037108  -0.042038
+    0SOL     H2    2  -0.135508  -0.131929  -0.049657
+    0SOL     H3    3  -0.195958  -0.000667  -0.094768
+    1SOL     O4    4   0.134515   0.036432   0.047442
+    1SOL     H5    5   0.139657   0.131712   0.039849
+    1SOL     H6    6   0.044800   0.015118   0.021767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042724  -0.109196  -0.073792
+    0SOL     H2    2   0.071864  -0.196662  -0.048046
+    0SOL     H3    3   0.112773  -0.076151  -0.130036
+    1SOL     O4    4  -0.044984   0.117082   0.080146
+    1SOL     H5    5  -0.126568   0.137067   0.034243
+    1SOL     H6    6  -0.027560   0.025307   0.059264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111274   0.074355   0.058867
+    0SOL     H2    2   0.104943   0.011401   0.130693
+    0SOL     H3    3   0.033263   0.129071   0.067965
+    1SOL     O4    4  -0.108964  -0.068373  -0.065060
+    1SOL     H5    5  -0.148568  -0.154986  -0.074657
+    1SOL     H6    6  -0.024065  -0.085202  -0.024179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037716  -0.119716  -0.068784
+    0SOL     H2    2  -0.061322  -0.113381   0.023763
+    0SOL     H3    3  -0.116158  -0.154459  -0.111235
+    1SOL     O4    4   0.049081   0.122693   0.063082
+    1SOL     H5    5  -0.009341   0.048217   0.048847
+    1SOL     H6    6   0.006812   0.173454   0.132357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030064   0.134532   0.057802
+    0SOL     H2    2   0.055816   0.157880   0.093042
+    0SOL     H3    3  -0.016423   0.049726   0.015561
+    1SOL     O4    4   0.025484  -0.125920  -0.052883
+    1SOL     H5    5  -0.001421  -0.215596  -0.032969
+    1SOL     H6    6   0.034315  -0.124114  -0.148178
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045810   0.017839   0.142393
+    0SOL     H2    2  -0.006316   0.012576   0.055360
+    0SOL     H3    3  -0.131847  -0.022856   0.132207
+    1SOL     O4    4   0.048365  -0.011814  -0.130774
+    1SOL     H5    5   0.078102   0.016499  -0.217240
+    1SOL     H6    6   0.018693  -0.101867  -0.143900
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095750  -0.050411  -0.091259
+    0SOL     H2    2  -0.121471  -0.073333  -0.180564
+    0SOL     H3    3  -0.102273  -0.132566  -0.042571
+    1SOL     O4    4   0.098962   0.058974   0.099231
+    1SOL     H5    5   0.023237   0.075598   0.043091
+    1SOL     H6    6   0.147294  -0.010430   0.054404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.069527  -0.045976   0.113264
+    0SOL     H2    2  -0.090465  -0.013982   0.201015
+    0SOL     H3    3  -0.114730  -0.130115   0.106977
+    1SOL     O4    4   0.077101   0.054680  -0.119014
+    1SOL     H5    5   0.032565   0.020854  -0.041331
+    1SOL     H6    6   0.059223  -0.010198  -0.187085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.081660  -0.082316   0.091385
+    0SOL     H2    2  -0.119851  -0.016096   0.148993
+    0SOL     H3    3  -0.145576  -0.092521   0.020866
+    1SOL     O4    4   0.086331   0.083800  -0.096897
+    1SOL     H5    5   0.043211   0.091167  -0.011757
+    1SOL     H6    6   0.143129   0.007213  -0.088484
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074800   0.132149   0.018278
+    0SOL     H2    2  -0.063014   0.037959   0.005970
+    0SOL     H3    3  -0.090611   0.166072  -0.069822
+    1SOL     O4    4   0.068744  -0.127639  -0.013871
+    1SOL     H5    5   0.135632  -0.144823  -0.080151
+    1SOL     H6    6   0.116061  -0.130521   0.069286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032536  -0.083812  -0.126547
+    0SOL     H2    2  -0.051449  -0.157550  -0.068518
+    0SOL     H3    3  -0.037385  -0.006821  -0.069880
+    1SOL     O4    4   0.032908   0.077955   0.123484
+    1SOL     H5    5   0.113256   0.097892   0.075431
+    1SOL     H6    6  -0.026430   0.149902   0.101922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019858  -0.151471   0.003630
+    0SOL     H2    2   0.038139  -0.214932  -0.038457
+    0SOL     H3    3   0.025292  -0.067620  -0.006008
+    1SOL     O4    4   0.014090   0.144869  -0.004724
+    1SOL     H5    5  -0.051957   0.214132  -0.006417
+    1SOL     H6    6   0.068755   0.165683   0.071044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118762  -0.062826   0.065096
+    0SOL     H2    2   0.130165  -0.014457   0.146905
+    0SOL     H3    3   0.068917  -0.140662   0.089984
+    1SOL     O4    4  -0.117888   0.071730  -0.072912
+    1SOL     H5    5  -0.033536   0.028479  -0.059633
+    1SOL     H6    6  -0.182395   0.001450  -0.065044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030453   0.139552  -0.053485
+    0SOL     H2    2  -0.109986   0.192179  -0.045289
+    0SOL     H3    3  -0.038555   0.073017   0.014850
+    1SOL     O4    4   0.036170  -0.131679   0.048504
+    1SOL     H5    5  -0.041470  -0.187624   0.050622
+    1SOL     H6    6   0.109826  -0.192804   0.049376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111985   0.076269   0.081051
+    0SOL     H2    2  -0.156676   0.042401   0.003476
+    0SOL     H3    3  -0.024183   0.038411   0.076608
+    1SOL     O4    4   0.103724  -0.073819  -0.078313
+    1SOL     H5    5   0.149681  -0.099921   0.001493
+    1SOL     H6    6   0.164150  -0.014053  -0.122347
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076503  -0.085919   0.103742
+    0SOL     H2    2   0.066257  -0.049861   0.191817
+    0SOL     H3    3   0.043897  -0.017136   0.045707
+    1SOL     O4    4  -0.076003   0.074336  -0.102015
+    1SOL     H5    5  -0.065025   0.164137  -0.070746
+    1SOL     H6    6  -0.053526   0.078376  -0.194971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010304  -0.074235   0.126322
+    0SOL     H2    2   0.026520  -0.150881   0.170274
+    0SOL     H3    3  -0.085655  -0.049682   0.180004
+    1SOL     O4    4   0.018151   0.077382  -0.135199
+    1SOL     H5    5  -0.001553   0.095610  -0.043320
+    1SOL     H6    6  -0.067344   0.062465  -0.175576
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043670   0.084554   0.122821
+    0SOL     H2    2  -0.006953   0.135964   0.185723
+    0SOL     H3    3   0.017289  -0.006009   0.139088
+    1SOL     O4    4  -0.032824  -0.085127  -0.127962
+    1SOL     H5    5  -0.062473  -0.017976  -0.066529
+    1SOL     H6    6  -0.110004  -0.104866  -0.181027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073686  -0.089812  -0.097690
+    0SOL     H2    2  -0.147418  -0.150397  -0.105129
+    0SOL     H3    3  -0.080093  -0.034535  -0.175572
+    1SOL     O4    4   0.082457   0.089498   0.105954
+    1SOL     H5    5   0.041803   0.169830   0.073451
+    1SOL     H6    6   0.034886   0.019034   0.061974
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104643  -0.084659  -0.093434
+    0SOL     H2    2   0.036561  -0.019260  -0.077621
+    0SOL     H3    3   0.185065  -0.043806  -0.061407
+    1SOL     O4    4  -0.106296   0.075022   0.086053
+    1SOL     H5    5  -0.104240   0.053524   0.179305
+    1SOL     H6    6  -0.088441   0.169002   0.082692
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137720   0.050632  -0.059359
+    0SOL     H2    2   0.231717   0.067831  -0.064940
+    0SOL     H3    3   0.124942   0.015490   0.028755
+    1SOL     O4    4  -0.138147  -0.053218   0.059328
+    1SOL     H5    5  -0.133648  -0.065121  -0.035543
+    1SOL     H6    6  -0.203960   0.015152   0.071842
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031962  -0.101583  -0.112197
+    0SOL     H2    2   0.027593  -0.113887  -0.186117
+    0SOL     H3    3  -0.053127  -0.190378  -0.083393
+    1SOL     O4    4   0.035899   0.109339   0.115633
+    1SOL     H5    5  -0.035739   0.139557   0.171465
+    1SOL     H6    6  -0.006034   0.051328   0.052082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090168   0.079866   0.099338
+    0SOL     H2    2   0.162027   0.110102   0.043801
+    0SOL     H3    3   0.068697   0.155415   0.154051
+    1SOL     O4    4  -0.099053  -0.084477  -0.099352
+    1SOL     H5    5  -0.027267  -0.038077  -0.056268
+    1SOL     H6    6  -0.056723  -0.157395  -0.144667
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.048958   0.126846  -0.075969
+    0SOL     H2    2   0.019428   0.109033  -0.165260
+    0SOL     H3    3   0.100250   0.207334  -0.083262
+    1SOL     O4    4  -0.049236  -0.135811   0.084666
+    1SOL     H5    5   0.007000  -0.098321   0.016885
+    1SOL     H6    6  -0.121509  -0.073606   0.093002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119325  -0.118654   0.016476
+    0SOL     H2    2   0.072911  -0.132858   0.098976
+    0SOL     H3    3   0.056686  -0.071582  -0.038504
+    1SOL     O4    4  -0.112939   0.110471  -0.022036
+    1SOL     H5    5  -0.071854   0.127598   0.062705
+    1SOL     H6    6  -0.155019   0.193192  -0.045461
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000598   0.143051  -0.065844
+    0SOL     H2    2   0.023497   0.170747  -0.154245
+    0SOL     H3    3  -0.062886   0.209351  -0.036063
+    1SOL     O4    4  -0.003508  -0.149035   0.070660
+    1SOL     H5    5   0.052170  -0.071438   0.064260
+    1SOL     H6    6   0.055351  -0.222353   0.052708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.103476  -0.131483  -0.017903
+    0SOL     H2    2   0.103181  -0.174663   0.067524
+    0SOL     H3    3   0.080639  -0.040495   0.001119
+    1SOL     O4    4  -0.098098   0.123526   0.012607
+    1SOL     H5    5  -0.164264   0.138204  -0.054987
+    1SOL     H6    6  -0.101094   0.202463   0.066665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002327  -0.018454   0.163106
+    0SOL     H2    2   0.036637   0.068840   0.182208
+    0SOL     H3    3   0.080125  -0.073724   0.155688
+    1SOL     O4    4  -0.013620   0.012818  -0.162356
+    1SOL     H5    5   0.075516  -0.008541  -0.134772
+    1SOL     H6    6  -0.004571   0.094282  -0.211795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034604   0.122212  -0.099652
+    0SOL     H2    2  -0.016498   0.192892  -0.161611
+    0SOL     H3    3  -0.058513   0.166980  -0.018495
+    1SOL     O4    4   0.037178  -0.124805   0.103538
+    1SOL     H5    5   0.084150  -0.152885   0.025005
+    1SOL     H6    6  -0.050506  -0.161887   0.093602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093965  -0.029011   0.134146
+    0SOL     H2    2  -0.108773  -0.068301   0.048127
+    0SOL     H3    3  -0.179776  -0.030965   0.176515
+    1SOL     O4    4   0.093039   0.030224  -0.132375
+    1SOL     H5    5   0.147641   0.018828  -0.054586
+    1SOL     H6    6   0.153602   0.060679  -0.199954
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054078   0.120507  -0.109591
+    0SOL     H2    2  -0.069797   0.191939  -0.047844
+    0SOL     H3    3  -0.140038   0.102220  -0.147521
+    1SOL     O4    4   0.061590  -0.128283   0.111457
+    1SOL     H5    5   0.007094  -0.133690   0.032950
+    1SOL     H6    6   0.070435  -0.034439   0.128114
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122346   0.077441  -0.092143
+    0SOL     H2    2   0.195993   0.085835  -0.031580
+    0SOL     H3    3   0.155872   0.110609  -0.175439
+    1SOL     O4    4  -0.128601  -0.085277   0.097676
+    1SOL     H5    5  -0.105360  -0.081996   0.004878
+    1SOL     H6    6  -0.141022   0.006314   0.122558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047275  -0.121934   0.130102
+    0SOL     H2    2   0.045216  -0.118964   0.154572
+    0SOL     H3    3  -0.049357  -0.089310   0.040137
+    1SOL     O4    4   0.036566   0.122245  -0.127988
+    1SOL     H5    5   0.069275   0.032996  -0.139261
+    1SOL     H6    6   0.112365   0.171861  -0.097085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125161  -0.020131  -0.126274
+    0SOL     H2    2  -0.062864  -0.092407  -0.118686
+    0SOL     H3    3  -0.144357  -0.014722  -0.219893
+    1SOL     O4    4   0.126313   0.019673   0.128265
+    1SOL     H5    5   0.095170   0.102821   0.092502
+    1SOL     H6    6   0.091461   0.017323   0.217383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.134216   0.055607  -0.113541
+    0SOL     H2    2   0.127261   0.027630  -0.204817
+    0SOL     H3    3   0.058086   0.111992  -0.099856
+    1SOL     O4    4  -0.133913  -0.052198   0.116890
+    1SOL     H5    5  -0.154777  -0.143439   0.136937
+    1SOL     H6    6  -0.038541  -0.050587   0.108892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146082   0.066753  -0.092201
+    0SOL     H2    2  -0.138545   0.158723  -0.117635
+    0SOL     H3    3  -0.140733   0.067765   0.003364
+    1SOL     O4    4   0.150978  -0.074322   0.089471
+    1SOL     H5    5   0.129826   0.011676   0.053151
+    1SOL     H6    6   0.066032  -0.116593   0.102102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072423   0.172043   0.021897
+    0SOL     H2    2   0.016424   0.178566  -0.013119
+    0SOL     H3    3  -0.061015   0.174514   0.116903
+    1SOL     O4    4   0.071854  -0.173151  -0.022016
+    1SOL     H5    5   0.029921  -0.091483  -0.049114
+    1SOL     H6    6   0.017305  -0.241942  -0.060154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153353  -0.010319   0.112931
+    0SOL     H2    2   0.111308  -0.026462   0.028468
+    0SOL     H3    3   0.199052   0.073001   0.101455
+    1SOL     O4    4  -0.148241   0.006535  -0.103381
+    1SOL     H5    5  -0.149728   0.006575  -0.199090
+    1SOL     H6    6  -0.240342   0.000791  -0.077952
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.007203  -0.082516  -0.173613
+    0SOL     H2    2  -0.032950  -0.035528  -0.100523
+    0SOL     H3    3   0.019565  -0.171640  -0.140956
+    1SOL     O4    4  -0.006122   0.078071   0.169547
+    1SOL     H5    5  -0.061615   0.120322   0.103990
+    1SOL     H6    6   0.049914   0.148353   0.202451
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.158289   0.111830   0.001740
+    0SOL     H2    2  -0.068753   0.145648   0.003172
+    0SOL     H3    3  -0.187918   0.126156  -0.088145
+    1SOL     O4    4   0.154839  -0.109253   0.007554
+    1SOL     H5    5   0.109027  -0.123279  -0.075312
+    1SOL     H6    6   0.203033  -0.190611   0.022403
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.143711   0.124600   0.006976
+    0SOL     H2    2   0.236366   0.113735   0.028406
+    0SOL     H3    3   0.142389   0.137774  -0.087824
+    1SOL     O4    4  -0.152768  -0.129736   0.000136
+    1SOL     H5    5  -0.179024  -0.038385  -0.011175
+    1SOL     H6    6  -0.062087  -0.132597  -0.030376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.189495  -0.017806  -0.033810
+    0SOL     H2    2  -0.271811   0.008154  -0.075192
+    0SOL     H3    3  -0.121994   0.007119  -0.096935
+    1SOL     O4    4   0.192648   0.019797   0.044182
+    1SOL     H5    5   0.193908   0.011533  -0.051172
+    1SOL     H6    6   0.152656  -0.061601   0.074798
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128598   0.148169  -0.002225
+    0SOL     H2    2   0.189667   0.194875  -0.059247
+    0SOL     H3    3   0.068746   0.215846   0.029395
+    1SOL     O4    4  -0.122456  -0.155475   0.007394
+    1SOL     H5    5  -0.165554  -0.219070  -0.049706
+    1SOL     H6    6  -0.179125  -0.078386   0.004540
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133891  -0.063421  -0.152831
+    0SOL     H2    2   0.056744  -0.015874  -0.183650
+    0SOL     H3    3   0.131110  -0.054502  -0.057568
+    1SOL     O4    4  -0.123225   0.059190   0.145351
+    1SOL     H5    5  -0.196424   0.118196   0.127393
+    1SOL     H6    6  -0.147756   0.014480   0.226355
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121934  -0.126575  -0.100582
+    0SOL     H2    2   0.107061  -0.217739  -0.075478
+    0SOL     H3    3   0.102748  -0.124060  -0.194325
+    1SOL     O4    4  -0.120918   0.124968   0.101556
+    1SOL     H5    5  -0.173682   0.201939   0.080257
+    1SOL     H6    6  -0.057619   0.156382   0.166122
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108113  -0.167096  -0.040718
+    0SOL     H2    2  -0.183903  -0.173146  -0.098870
+    0SOL     H3    3  -0.105368  -0.251679   0.004008
+    1SOL     O4    4   0.106563   0.171943   0.044608
+    1SOL     H5    5   0.180385   0.223516   0.077056
+    1SOL     H6    6   0.138760   0.132227  -0.036313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.132612   0.159514   0.026021
+    0SOL     H2    2   0.199790   0.169721   0.093439
+    0SOL     H3    3   0.050172   0.176844   0.071470
+    1SOL     O4    4  -0.133020  -0.163544  -0.039190
+    1SOL     H5    5  -0.184715  -0.100821   0.011366
+    1SOL     H6    6  -0.058949  -0.184866   0.017566
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066315  -0.042484  -0.192410
+    0SOL     H2    2   0.128859   0.027963  -0.175446
+    0SOL     H3    3   0.018876  -0.014153  -0.270572
+    1SOL     O4    4  -0.071266   0.030844   0.198340
+    1SOL     H5    5  -0.043809   0.056123   0.110196
+    1SOL     H6    6  -0.030312   0.095588   0.255727
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102459  -0.010513   0.180556
+    0SOL     H2    2  -0.168073  -0.074988   0.207013
+    0SOL     H3    3  -0.098752   0.051296   0.253551
+    1SOL     O4    4   0.107974   0.016117  -0.183807
+    1SOL     H5    5   0.049563  -0.049748  -0.146227
+    1SOL     H6    6   0.132138  -0.019272  -0.269400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062183  -0.064103  -0.202893
+    0SOL     H2    2  -0.069015  -0.017718  -0.119442
+    0SOL     H3    3   0.002080  -0.133185  -0.186762
+    1SOL     O4    4   0.053852   0.062638   0.195423
+    1SOL     H5    5   0.095559   0.141740   0.161280
+    1SOL     H6    6   0.109032   0.036290   0.269066
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116200  -0.081701  -0.165705
+    0SOL     H2    2   0.134010  -0.160723  -0.114707
+    0SOL     H3    3   0.026576  -0.093213  -0.197287
+    1SOL     O4    4  -0.118730   0.084871   0.166668
+    1SOL     H5    5  -0.054111   0.141105   0.209381
+    1SOL     H6    6  -0.075834   0.055881   0.086158
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024044  -0.072506  -0.222224
+    0SOL     H2    2  -0.066084  -0.006645  -0.166931
+    0SOL     H3    3   0.065894  -0.077200  -0.189797
+    1SOL     O4    4   0.017711   0.074970   0.216383
+    1SOL     H5    5   0.106286   0.066986   0.251782
+    1SOL     H6    6  -0.009241  -0.015141   0.198607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096497   0.192430  -0.081006
+    0SOL     H2    2  -0.060144   0.117946  -0.128891
+    0SOL     H3    3  -0.069266   0.269038  -0.131522
+    1SOL     O4    4   0.087931  -0.196946   0.084329
+    1SOL     H5    5   0.179291  -0.218714   0.102813
+    1SOL     H6    6   0.079638  -0.104938   0.109391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076523   0.099282   0.205172
+    0SOL     H2    2   0.048235   0.008597   0.216935
+    0SOL     H3    3   0.138962   0.095737   0.132708
+    1SOL     O4    4  -0.084753  -0.096264  -0.203253
+    1SOL     H5    5  -0.003733  -0.137320  -0.233460
+    1SOL     H6    6  -0.055754  -0.020886  -0.151876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071300   0.010418   0.237737
+    0SOL     H2    2   0.071375  -0.070782   0.187053
+    0SOL     H3    3   0.069769   0.079834   0.171847
+    1SOL     O4    4  -0.075274  -0.007703  -0.237511
+    1SOL     H5    5   0.008521  -0.053969  -0.237226
+    1SOL     H6    6  -0.095210   0.006410  -0.144960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061879   0.003806  -0.244534
+    0SOL     H2    2   0.060335   0.075338  -0.308120
+    0SOL     H3    3  -0.020272   0.012844  -0.196245
+    1SOL     O4    4  -0.055227  -0.001180   0.243315
+    1SOL     H5    5  -0.003955  -0.071338   0.283458
+    1SOL     H6    6  -0.143802  -0.036882   0.236824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003041  -0.114500  -0.249910
+    0SOL     H2    2   0.078830  -0.172708  -0.255412
+    0SOL     H3    3   0.038222  -0.032504  -0.215251
+    1SOL     O4    4  -0.010519   0.105973   0.245574
+    1SOL     H5    5  -0.030829   0.191498   0.207689
+    1SOL     H6    6   0.031489   0.126128   0.329189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040340   0.274579   0.018780
+    0SOL     H2    2   0.122587   0.232659  -0.006528
+    0SOL     H3    3   0.046641   0.284383   0.113788
+    1SOL     O4    4  -0.042697  -0.276534  -0.027579
+    1SOL     H5    5  -0.039212  -0.303076   0.064321
+    1SOL     H6    6  -0.078841  -0.187922  -0.025614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021447   0.121499  -0.258624
+    0SOL     H2    2   0.047110   0.083229  -0.203874
+    0SOL     H3    3  -0.050794   0.049352  -0.314264
+    1SOL     O4    4   0.013858  -0.113940   0.257805
+    1SOL     H5    5   0.074784  -0.087588   0.326769
+    1SOL     H6    6   0.063709  -0.175380   0.203932
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134044  -0.221468  -0.149738
+    0SOL     H2    2  -0.072608  -0.281351  -0.192187
+    0SOL     H3    3  -0.147221  -0.258495  -0.062459
+    1SOL     O4    4   0.133043   0.225527   0.152986
+    1SOL     H5    5   0.179890   0.273666   0.084792
+    1SOL     H6    6   0.044918   0.213468   0.117619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.220197   0.212620   0.088291
+    0SOL     H2    2   0.257044   0.124942   0.099113
+    0SOL     H3    3   0.278092   0.255360   0.025173
+    1SOL     O4    4  -0.223354  -0.212768  -0.091194
+    1SOL     H5    5  -0.282755  -0.139681  -0.074101
+    1SOL     H6    6  -0.197978  -0.243894  -0.004306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023227  -0.015230  -0.348172
+    0SOL     H2    2  -0.088719   0.011731  -0.412564
+    0SOL     H3    3  -0.022213   0.055650  -0.283851
+    1SOL     O4    4   0.029088   0.009730   0.354044
+    1SOL     H5    5  -0.053192   0.043910   0.319058
+    1SOL     H6    6   0.071960  -0.031203   0.278886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041079   0.335645  -0.131432
+    0SOL     H2    2  -0.048338   0.247302  -0.095307
+    0SOL     H3    3  -0.102598   0.387788  -0.079868
+    1SOL     O4    4   0.049606  -0.334483   0.121643
+    1SOL     H5    5   0.020202  -0.393087   0.191380
+    1SOL     H6    6  -0.002228  -0.254922   0.133707
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.199115  -0.018728  -0.326127
+    0SOL     H2    2   0.167735  -0.105034  -0.299129
+    0SOL     H3    3   0.136350   0.042646  -0.287966
+    1SOL     O4    4  -0.196215   0.018984   0.315813
+    1SOL     H5    5  -0.241571   0.001877   0.398351
+    1SOL     H6    6  -0.111405   0.054807   0.342012
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.186887   0.066452   0.340634
+    0SOL     H2    2   0.244327   0.058453   0.264484
+    0SOL     H3    3   0.109594   0.112302   0.307681
+    1SOL     O4    4  -0.191426  -0.065761  -0.333101
+    1SOL     H5    5  -0.106253  -0.023480  -0.344063
+    1SOL     H6    6  -0.173187  -0.159260  -0.342465
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030846  -0.040639   0.422783
+    0SOL     H2    2   0.110434   0.010641   0.408700
+    0SOL     H3    3  -0.022062  -0.024792   0.344604
+    1SOL     O4    4  -0.030225   0.042412  -0.416705
+    1SOL     H5    5  -0.059747   0.008630  -0.501259
+    1SOL     H6    6  -0.046529  -0.029146  -0.355255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.251731   0.342649  -0.096457
+    0SOL     H2    2  -0.346781   0.346322  -0.085765
+    0SOL     H3    3  -0.237867   0.278308  -0.165958
+    1SOL     O4    4   0.253903  -0.336303   0.094139
+    1SOL     H5    5   0.253227  -0.429439   0.116219
+    1SOL     H6    6   0.283540  -0.292890   0.174134
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.313652   0.334723  -0.165376
+    0SOL     H2    2  -0.266905   0.405150  -0.210288
+    0SOL     H3    3  -0.291409   0.255825  -0.214799
+    1SOL     O4    4   0.314247  -0.331222   0.174188
+    1SOL     H5    5   0.262621  -0.285666   0.107692
+    1SOL     H6    6   0.292938  -0.423727   0.161903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106655   0.422326   0.240795
+    0SOL     H2    2  -0.178375   0.460917   0.291086
+    0SOL     H3    3  -0.141882   0.339378   0.208529
+    1SOL     O4    4   0.108349  -0.424805  -0.240586
+    1SOL     H5    5   0.180978  -0.392346  -0.187353
+    1SOL     H6    6   0.112178  -0.372655  -0.320761
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099608   0.432642  -0.241047
+    0SOL     H2    2   0.019134   0.457576  -0.286485
+    0SOL     H3    3   0.069628   0.386744  -0.162581
+    1SOL     O4    4  -0.099220  -0.428944   0.242017
+    1SOL     H5    5  -0.041656  -0.391565   0.175297
+    1SOL     H6    6  -0.062760  -0.515749   0.259273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.452147   0.209929   0.109909
+    0SOL     H2    2   0.503842   0.289211   0.124207
+    0SOL     H3    3   0.465765   0.157806   0.189030
+    1SOL     O4    4  -0.451944  -0.208763  -0.113140
+    1SOL     H5    5  -0.464006  -0.303557  -0.118693
+    1SOL     H6    6  -0.527138  -0.172230  -0.159761
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109693   0.184096   0.479856
+    0SOL     H2    2   0.161319   0.241146   0.422914
+    0SOL     H3    3   0.100486   0.233484   0.561331
+    1SOL     O4    4  -0.107310  -0.193844  -0.480138
+    1SOL     H5    5  -0.111320  -0.130889  -0.552130
+    1SOL     H6    6  -0.189039  -0.180607  -0.432101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003498   0.008229  -0.570281
+    0SOL     H2    2  -0.062863   0.013912  -0.501533
+    0SOL     H3    3   0.035872   0.097798  -0.579850
+    1SOL     O4    4  -0.003831  -0.018883   0.569113
+    1SOL     H5    5  -0.049402   0.047766   0.517698
+    1SOL     H6    6   0.083989   0.016849   0.582272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.516435   0.153919   0.178731
+    0SOL     H2    2  -0.475472   0.237541   0.200907
+    0SOL     H3    3  -0.610298   0.169763   0.188781
+    1SOL     O4    4   0.517960  -0.164470  -0.177562
+    1SOL     H5    5   0.465629  -0.084631  -0.170523
+    1SOL     H6    6   0.589245  -0.141270  -0.237080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.365306   0.382171  -0.549147
+    0SOL     H2    2  -0.443602   0.396460  -0.495971
+    0SOL     H3    3  -0.376231   0.293986  -0.584735
+    1SOL     O4    4   0.369475  -0.385068   0.548541
+    1SOL     H5    5   0.446950  -0.334220   0.572511
+    1SOL     H6    6   0.307460  -0.320127   0.515388
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.843477  -0.225804   0.042214
+    0SOL     H2    2   0.886042  -0.222410  -0.043454
+    0SOL     H3    3   0.822175  -0.318274   0.054780
+    1SOL     O4    4  -0.839451   0.234925  -0.040643
+    1SOL     H5    5  -0.902729   0.251494   0.029240
+    1SOL     H6    6  -0.859627   0.146342  -0.070781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041702  -0.980238   0.374868
+    0SOL     H2    2  -0.055316  -1.001266   0.467252
+    0SOL     H3    3  -0.031212  -1.065274   0.332193
+    1SOL     O4    4   0.037913   0.990126  -0.373546
+    1SOL     H5    5   0.130187   0.966071  -0.365229
+    1SOL     H6    6   0.009218   0.947605  -0.454360
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -1.018078   0.398168  -0.262409
+    0SOL     H2    2  -1.090269   0.392997  -0.325052
+    0SOL     H3    3  -1.048178   0.460385  -0.196187
+    1SOL     O4    4   1.028374  -0.407013   0.263437
+    1SOL     H5    5   0.941029  -0.403163   0.224470
+    1SOL     H6    6   1.048651  -0.316204   0.285907
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/430K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039610   0.837126  -0.766029
+    0SOL     H2    2  -0.030528   0.747584  -0.798619
+    0SOL     H3    3   0.042256   0.880100  -0.790798
+    1SOL     O4    4   0.029421  -0.831993   0.765683
+    1SOL     H5    5   0.041002  -0.831772   0.860699
+    1SOL     H6    6   0.107379  -0.876238   0.732108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014370  -0.120127   0.014439
+    0SOL     H2    2   0.057354  -0.181405   0.030655
+    0SOL     H3    3  -0.080602  -0.142896   0.079687
+    1SOL     O4    4   0.019394   0.126857  -0.017850
+    1SOL     H5    5  -0.050112   0.181230  -0.054930
+    1SOL     H6    6  -0.020917   0.040777  -0.006561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016793   0.115549   0.064245
+    0SOL     H2    2  -0.001345   0.026248   0.033438
+    0SOL     H3    3  -0.079349   0.152042   0.001657
+    1SOL     O4    4   0.017383  -0.109346  -0.053775
+    1SOL     H5    5   0.105656  -0.129553  -0.084788
+    1SOL     H6    6  -0.040468  -0.144601  -0.121397
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060418  -0.118318   0.021514
+    0SOL     H2    2   0.002106  -0.042494   0.025090
+    0SOL     H3    3   0.098543  -0.115156  -0.066229
+    1SOL     O4    4  -0.058602   0.113232  -0.011066
+    1SOL     H5    5  -0.137259   0.096861  -0.063098
+    1SOL     H6    6   0.005015   0.147468  -0.073859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073873   0.005101  -0.099796
+    0SOL     H2    2  -0.158015  -0.016115  -0.059393
+    0SOL     H3    3  -0.095699   0.027783  -0.190192
+    1SOL     O4    4   0.078830  -0.008434   0.108419
+    1SOL     H5    5   0.153336   0.048303   0.088620
+    1SOL     H6    6   0.027388  -0.009535   0.027705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112450   0.026685  -0.056871
+    0SOL     H2    2  -0.067423   0.041142  -0.140093
+    0SOL     H3    3  -0.181428   0.093025  -0.055065
+    1SOL     O4    4   0.117081  -0.029003   0.067914
+    1SOL     H5    5   0.032696  -0.004381   0.030029
+    1SOL     H6    6   0.150652  -0.097042   0.009553
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045820   0.031819   0.125950
+    0SOL     H2    2  -0.060689   0.126178   0.119824
+    0SOL     H3    3   0.016465   0.012735   0.055817
+    1SOL     O4    4   0.043154  -0.030891  -0.116539
+    1SOL     H5    5  -0.027790  -0.093926  -0.129024
+    1SOL     H6    6   0.110851  -0.058393  -0.178369
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056473   0.095374  -0.078761
+    0SOL     H2    2  -0.002397   0.049488  -0.014475
+    0SOL     H3    3   0.001025   0.162989  -0.114600
+    1SOL     O4    4   0.051077  -0.092409   0.070990
+    1SOL     H5    5   0.069580  -0.068163   0.161721
+    1SOL     H6    6   0.021045  -0.183155   0.076046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047108   0.115836  -0.031927
+    0SOL     H2    2   0.101899   0.193245  -0.018963
+    0SOL     H3    3  -0.030157   0.148564  -0.077986
+    1SOL     O4    4  -0.050966  -0.121222   0.036635
+    1SOL     H5    5  -0.011435  -0.204503   0.010870
+    1SOL     H6    6   0.010743  -0.054830   0.005873
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068490  -0.028428  -0.118500
+    0SOL     H2    2   0.090006   0.062758  -0.138109
+    0SOL     H3    3   0.028530  -0.025498  -0.031570
+    1SOL     O4    4  -0.064831   0.022847   0.108580
+    1SOL     H5    5  -0.021753   0.007164   0.192607
+    1SOL     H6    6  -0.157110   0.035145   0.130845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112676  -0.062946  -0.005686
+    0SOL     H2    2  -0.102215  -0.157949  -0.010917
+    0SOL     H3    3  -0.205622  -0.048045  -0.023046
+    1SOL     O4    4   0.117771   0.073530   0.005751
+    1SOL     H5    5   0.190435   0.012209   0.016799
+    1SOL     H6    6   0.039244   0.019967   0.017009
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014788  -0.102333   0.081783
+    0SOL     H2    2  -0.034701  -0.184252   0.036450
+    0SOL     H3    3  -0.090565  -0.087121   0.138253
+    1SOL     O4    4   0.013886   0.107237  -0.083404
+    1SOL     H5    5   0.092289   0.158421  -0.103293
+    1SOL     H6    6   0.046768   0.029589  -0.038106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002530  -0.069791   0.120658
+    0SOL     H2    2   0.010796  -0.004365   0.052072
+    0SOL     H3    3   0.079538  -0.069974   0.169923
+    1SOL     O4    4  -0.001113   0.063777  -0.113055
+    1SOL     H5    5  -0.079710   0.035755  -0.159955
+    1SOL     H6    6   0.042277   0.124450  -0.173043
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.100438  -0.047181  -0.076311
+    0SOL     H2    2   0.088609  -0.142001  -0.070680
+    0SOL     H3    3   0.175297  -0.028921  -0.019523
+    1SOL     O4    4  -0.103245   0.054822   0.078846
+    1SOL     H5    5  -0.182984   0.033164   0.030526
+    1SOL     H6    6  -0.032243   0.020486   0.024606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076514  -0.050830  -0.105444
+    0SOL     H2    2  -0.105083  -0.140891  -0.090108
+    0SOL     H3    3  -0.018722  -0.031104  -0.031733
+    1SOL     O4    4   0.077601   0.055368   0.094484
+    1SOL     H5    5   0.081780  -0.025861   0.144949
+    1SOL     H6    6   0.028735   0.115829   0.150330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010341   0.089830  -0.096932
+    0SOL     H2    2  -0.088613   0.144365  -0.089072
+    0SOL     H3    3  -0.006784   0.066172  -0.189614
+    1SOL     O4    4   0.014043  -0.098306   0.104824
+    1SOL     H5    5   0.000561  -0.076124   0.012691
+    1SOL     H6    6   0.033690  -0.014665   0.147019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050539  -0.122745  -0.012392
+    0SOL     H2    2  -0.144301  -0.116608  -0.030653
+    0SOL     H3    3  -0.020659  -0.196953  -0.064954
+    1SOL     O4    4   0.058379   0.131656   0.014677
+    1SOL     H5    5   0.083246   0.039400   0.020401
+    1SOL     H6    6  -0.034744   0.132827   0.036790
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033524   0.101762  -0.082210
+    0SOL     H2    2   0.043861   0.115766  -0.136778
+    0SOL     H3    3  -0.050663   0.187156  -0.042505
+    1SOL     O4    4   0.035978  -0.106698   0.085839
+    1SOL     H5    5   0.003147  -0.056950   0.010942
+    1SOL     H6    6  -0.033945  -0.168939   0.105818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005954   0.127285  -0.041448
+    0SOL     H2    2  -0.006571   0.176276   0.040783
+    0SOL     H3    3  -0.045477   0.186810  -0.105143
+    1SOL     O4    4   0.004771  -0.132728   0.046491
+    1SOL     H5    5   0.016964  -0.063065  -0.018012
+    1SOL     H6    6   0.046992  -0.209247   0.007445
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014352  -0.139968  -0.026107
+    0SOL     H2    2   0.034558  -0.046422  -0.027887
+    0SOL     H3    3  -0.052737  -0.151314  -0.093432
+    1SOL     O4    4  -0.011676   0.129221   0.032496
+    1SOL     H5    5   0.062684   0.178748  -0.001855
+    1SOL     H6    6  -0.086458   0.188111   0.022394
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065979   0.042797   0.109224
+    0SOL     H2    2  -0.025903  -0.024840   0.163826
+    0SOL     H3    3  -0.154225   0.053203   0.144814
+    1SOL     O4    4   0.067291  -0.039445  -0.121975
+    1SOL     H5    5   0.145487  -0.073020  -0.078151
+    1SOL     H6    6   0.013491  -0.003954  -0.051206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034560   0.129648   0.011164
+    0SOL     H2    2   0.059325   0.148865   0.101606
+    0SOL     H3    3   0.076521   0.198542  -0.040364
+    1SOL     O4    4  -0.036031  -0.140256  -0.016415
+    1SOL     H5    5  -0.033710  -0.051804  -0.052929
+    1SOL     H6    6  -0.082769  -0.130741   0.066575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065546   0.130650  -0.014043
+    0SOL     H2    2  -0.027371   0.048690   0.017384
+    0SOL     H3    3  -0.033370   0.139254  -0.103782
+    1SOL     O4    4   0.056153  -0.124835   0.013241
+    1SOL     H5    5   0.064197  -0.204227   0.066103
+    1SOL     H6    6   0.131581  -0.071528   0.038368
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118364   0.050328   0.067687
+    0SOL     H2    2   0.037315   0.002828   0.049326
+    0SOL     H3    3   0.093847   0.114912   0.133945
+    1SOL     O4    4  -0.111361  -0.044583  -0.070172
+    1SOL     H5    5  -0.085684  -0.102961  -0.141551
+    1SOL     H6    6  -0.147475  -0.102827  -0.003345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127173  -0.024636  -0.052003
+    0SOL     H2    2  -0.156922   0.032631  -0.122698
+    0SOL     H3    3  -0.128088  -0.112394  -0.090214
+    1SOL     O4    4   0.127028   0.032088   0.062299
+    1SOL     H5    5   0.213741  -0.007601   0.054069
+    1SOL     H6    6   0.070918  -0.020873   0.005649
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083753  -0.119255   0.028738
+    0SOL     H2    2  -0.030855  -0.039580   0.024731
+    0SOL     H3    3  -0.164555  -0.092245   0.072371
+    1SOL     O4    4   0.079859   0.114982  -0.027013
+    1SOL     H5    5   0.104853   0.146792  -0.113764
+    1SOL     H6    6   0.143104   0.045780  -0.007686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088870  -0.069436  -0.100587
+    0SOL     H2    2  -0.002076  -0.063561  -0.071318
+    0SOL     H3    3   0.137628  -0.015403  -0.038414
+    1SOL     O4    4  -0.080183   0.064875   0.094609
+    1SOL     H5    5  -0.136503   0.020191   0.157805
+    1SOL     H6    6  -0.137147   0.129854   0.053438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095888  -0.085913   0.069901
+    0SOL     H2    2   0.115437  -0.062852  -0.020920
+    0SOL     H3    3   0.062326  -0.175435   0.065239
+    1SOL     O4    4  -0.090577   0.089395  -0.070282
+    1SOL     H5    5  -0.080355   0.048045   0.015438
+    1SOL     H6    6  -0.181030   0.120696  -0.071195
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032339  -0.011052  -0.137373
+    0SOL     H2    2  -0.059558   0.015652  -0.135315
+    0SOL     H3    3   0.049891  -0.029560  -0.229632
+    1SOL     O4    4  -0.035055   0.009098   0.144611
+    1SOL     H5    5   0.027499   0.063034   0.192987
+    1SOL     H6    6   0.012142  -0.017431   0.065674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127083   0.008115   0.080212
+    0SOL     H2    2   0.050238  -0.007979   0.025457
+    0SOL     H3    3   0.094818  -0.000338   0.169933
+    1SOL     O4    4  -0.113828  -0.007730  -0.081419
+    1SOL     H5    5  -0.164781   0.069166  -0.055862
+    1SOL     H6    6  -0.175868  -0.062865  -0.129100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043740   0.089440   0.114386
+    0SOL     H2    2   0.030709   0.049528   0.028366
+    0SOL     H3    3  -0.044708   0.108362   0.145710
+    1SOL     O4    4  -0.036648  -0.082808  -0.115059
+    1SOL     H5    5  -0.120241  -0.110884  -0.077826
+    1SOL     H6    6   0.026526  -0.147538  -0.083733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042171  -0.089743   0.101387
+    0SOL     H2    2  -0.000458  -0.104048   0.186344
+    0SOL     H3    3  -0.127174  -0.133128   0.108779
+    1SOL     O4    4   0.046254   0.093875  -0.113373
+    1SOL     H5    5   0.036736   0.009051  -0.070054
+    1SOL     H6    6   0.027905   0.158053  -0.044767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056736   0.132798   0.055452
+    0SOL     H2    2  -0.115568   0.070099   0.097523
+    0SOL     H3    3  -0.018443   0.084405  -0.017720
+    1SOL     O4    4   0.051386  -0.125901  -0.054266
+    1SOL     H5    5   0.115357  -0.081618  -0.110024
+    1SOL     H6    6   0.104200  -0.172052   0.010873
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080342  -0.104593  -0.066837
+    0SOL     H2    2   0.135999  -0.170503  -0.025356
+    0SOL     H3    3  -0.008944  -0.135543  -0.051593
+    1SOL     O4    4  -0.080236   0.114839   0.066366
+    1SOL     H5    5  -0.117022   0.074673  -0.012346
+    1SOL     H6    6  -0.003090   0.061880   0.086521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076459   0.054892   0.123435
+    0SOL     H2    2  -0.010027   0.065726   0.055378
+    0SOL     H3    3  -0.150174   0.013407   0.078631
+    1SOL     O4    4   0.078477  -0.050412  -0.110628
+    1SOL     H5    5   0.110066  -0.022333  -0.196511
+    1SOL     H6    6   0.022473  -0.125802  -0.129128
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123858  -0.058256  -0.073268
+    0SOL     H2    2  -0.065266  -0.009731  -0.131360
+    0SOL     H3    3  -0.067087  -0.090162  -0.003116
+    1SOL     O4    4   0.118127   0.054006   0.067075
+    1SOL     H5    5   0.129336   0.147449   0.084539
+    1SOL     H6    6   0.095446   0.016259   0.152063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047732  -0.037996   0.141798
+    0SOL     H2    2  -0.012470  -0.019171   0.054824
+    0SOL     H3    3   0.024100  -0.017713   0.201723
+    1SOL     O4    4   0.038463   0.035025  -0.134330
+    1SOL     H5    5   0.040768  -0.026687  -0.207464
+    1SOL     H6    6   0.091780   0.108934  -0.163606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101077  -0.090546  -0.076403
+    0SOL     H2    2   0.029102  -0.153392  -0.070726
+    0SOL     H3    3   0.058071  -0.005154  -0.080987
+    1SOL     O4    4  -0.089100   0.092638   0.074002
+    1SOL     H5    5  -0.105423   0.059419   0.162276
+    1SOL     H6    6  -0.165472   0.064885   0.023412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032446  -0.006315   0.156091
+    0SOL     H2    2  -0.051669  -0.042158   0.069442
+    0SOL     H3    3   0.018529   0.072787   0.138572
+    1SOL     O4    4   0.025223  -0.002035  -0.149213
+    1SOL     H5    5   0.118562  -0.007719  -0.128773
+    1SOL     H6    6   0.010719   0.090339  -0.169682
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027899  -0.119905   0.082703
+    0SOL     H2    2   0.029874  -0.196125   0.086594
+    0SOL     H3    3  -0.109049  -0.153232   0.044411
+    1SOL     O4    4   0.025735   0.130932  -0.084609
+    1SOL     H5    5  -0.010082   0.060044  -0.031182
+    1SOL     H6    6   0.120580   0.123218  -0.074257
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.117525  -0.071863   0.073860
+    0SOL     H2    2  -0.096577  -0.076800   0.167129
+    0SOL     H3    3  -0.044191  -0.023934   0.035297
+    1SOL     O4    4   0.113559   0.069760  -0.071338
+    1SOL     H5    5   0.032245   0.094766  -0.115212
+    1SOL     H6    6   0.171708   0.042468  -0.142304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063119   0.041671   0.127265
+    0SOL     H2    2   0.006742   0.063224   0.201558
+    0SOL     H3    3   0.151772   0.042595   0.163350
+    1SOL     O4    4  -0.071425  -0.047373  -0.137196
+    1SOL     H5    5  -0.018375   0.011884  -0.190456
+    1SOL     H6    6  -0.032786  -0.042156  -0.049776
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068093   0.124289   0.055399
+    0SOL     H2    2  -0.112115   0.204039   0.026001
+    0SOL     H3    3  -0.032039   0.146983   0.141116
+    1SOL     O4    4   0.069320  -0.138147  -0.058149
+    1SOL     H5    5   0.117448  -0.081489  -0.118447
+    1SOL     H6    6   0.010715  -0.078853  -0.011116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029689  -0.092087   0.133964
+    0SOL     H2    2   0.036093  -0.031680   0.168402
+    0SOL     H3    3  -0.037507  -0.068852   0.041436
+    1SOL     O4    4   0.027068   0.081676  -0.132015
+    1SOL     H5    5  -0.045765   0.140055  -0.153220
+    1SOL     H6    6   0.086483   0.135463  -0.079678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044404   0.143684   0.063708
+    0SOL     H2    2  -0.050574   0.150047   0.053664
+    0SOL     H3    3   0.075848   0.116103  -0.022391
+    1SOL     O4    4  -0.038887  -0.145141  -0.063935
+    1SOL     H5    5  -0.128257  -0.123430  -0.037402
+    1SOL     H6    6   0.015177  -0.119854   0.010899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096474   0.067192   0.113844
+    0SOL     H2    2  -0.107030  -0.010039   0.169400
+    0SOL     H3    3  -0.015194   0.051302   0.065851
+    1SOL     O4    4   0.091725  -0.059454  -0.107259
+    1SOL     H5    5   0.116616  -0.006769  -0.183200
+    1SOL     H6    6   0.076465  -0.147025  -0.142765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125616   0.060040  -0.085588
+    0SOL     H2    2   0.213640   0.022474  -0.087318
+    0SOL     H3    3   0.076128   0.002540  -0.027218
+    1SOL     O4    4  -0.121461  -0.053984   0.080572
+    1SOL     H5    5  -0.183553   0.014724   0.104783
+    1SOL     H6    6  -0.168856  -0.135697   0.096031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052622   0.141736   0.044523
+    0SOL     H2    2   0.027868   0.233024   0.059225
+    0SOL     H3    3   0.116696   0.122903   0.113095
+    1SOL     O4    4  -0.053735  -0.149581  -0.054069
+    1SOL     H5    5  -0.093302  -0.167353   0.031260
+    1SOL     H6    6  -0.026834  -0.057837  -0.049408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141117   0.074840   0.005961
+    0SOL     H2    2  -0.223479   0.048635   0.047097
+    0SOL     H3    3  -0.105295   0.141652   0.064401
+    1SOL     O4    4   0.143191  -0.083048  -0.016210
+    1SOL     H5    5   0.222040  -0.053107   0.029052
+    1SOL     H6    6   0.075027  -0.021688   0.011193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044092   0.142367  -0.080919
+    0SOL     H2    2  -0.011003   0.054694  -0.061403
+    0SOL     H3    3  -0.039640   0.188849   0.002639
+    1SOL     O4    4   0.045867  -0.136135   0.073500
+    1SOL     H5    5   0.028060  -0.169483   0.161439
+    1SOL     H6    6  -0.014743  -0.184002   0.016953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002249   0.148753  -0.091493
+    0SOL     H2    2   0.008810   0.056930  -0.117722
+    0SOL     H3    3  -0.052224   0.147399  -0.012796
+    1SOL     O4    4   0.004473  -0.143529   0.083285
+    1SOL     H5    5   0.013767  -0.088989   0.161396
+    1SOL     H6    6  -0.074820  -0.194766   0.099086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044450  -0.007654   0.167239
+    0SOL     H2    2  -0.033600  -0.030430   0.217753
+    0SOL     H3    3   0.050367  -0.075729   0.100209
+    1SOL     O4    4  -0.040709   0.018274  -0.163165
+    1SOL     H5    5   0.032054  -0.018946  -0.212989
+    1SOL     H6    6  -0.110695  -0.046577  -0.170821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134977  -0.114965   0.046441
+    0SOL     H2    2  -0.065885  -0.052543   0.024259
+    0SOL     H3    3  -0.177212  -0.077542   0.123759
+    1SOL     O4    4   0.132659   0.102651  -0.047083
+    1SOL     H5    5   0.065515   0.163544  -0.077839
+    1SOL     H6    6   0.214500   0.151860  -0.053636
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.129210  -0.121312   0.051564
+    0SOL     H2    2  -0.108415  -0.055060  -0.014320
+    0SOL     H3    3  -0.069382  -0.193593   0.032629
+    1SOL     O4    4   0.118614   0.118760  -0.048479
+    1SOL     H5    5   0.155800   0.111566   0.039429
+    1SOL     H6    6   0.181030   0.173114  -0.096565
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124598   0.119392   0.065049
+    0SOL     H2    2   0.067146   0.050934   0.030770
+    0SOL     H3    3   0.067651   0.173208   0.120033
+    1SOL     O4    4  -0.119208  -0.115093  -0.071763
+    1SOL     H5    5  -0.060668  -0.188899  -0.054790
+    1SOL     H6    6  -0.169281  -0.105066   0.009197
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108784  -0.096467   0.095093
+    0SOL     H2    2   0.151290  -0.167042   0.046362
+    0SOL     H3    3   0.147073  -0.101338   0.182686
+    1SOL     O4    4  -0.113963   0.105408  -0.091273
+    1SOL     H5    5  -0.179799   0.094640  -0.159917
+    1SOL     H6    6  -0.042550   0.047165  -0.117163
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103632   0.096258   0.124896
+    0SOL     H2    2  -0.096279   0.093829   0.029489
+    0SOL     H3    3  -0.013439   0.105133   0.155698
+    1SOL     O4    4   0.099457  -0.095470  -0.113775
+    1SOL     H5    5   0.164003  -0.099251  -0.184357
+    1SOL     H6    6   0.015427  -0.109845  -0.157302
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032594  -0.174959  -0.066231
+    0SOL     H2    2   0.000585  -0.102929  -0.119834
+    0SOL     H3    3  -0.021113  -0.145021   0.023959
+    1SOL     O4    4   0.034429   0.164884   0.066439
+    1SOL     H5    5   0.062345   0.252281   0.039148
+    1SOL     H6    6  -0.061070   0.167207   0.060366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146389   0.070376  -0.081709
+    0SOL     H2    2  -0.102040   0.008520  -0.139754
+    0SOL     H3    3  -0.239625   0.054718  -0.096683
+    1SOL     O4    4   0.149264  -0.063093   0.080332
+    1SOL     H5    5   0.094145  -0.041327   0.155502
+    1SOL     H6    6   0.210361  -0.128836   0.113609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081115   0.157765  -0.083376
+    0SOL     H2    2   0.099325   0.076605  -0.130745
+    0SOL     H3    3   0.101923   0.137504   0.007831
+    1SOL     O4    4  -0.083144  -0.153279   0.073680
+    1SOL     H5    5  -0.016854  -0.110820   0.128134
+    1SOL     H6    6  -0.154967  -0.172543   0.133951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.129964  -0.151738  -0.010097
+    0SOL     H2    2  -0.174553  -0.075884  -0.047786
+    0SOL     H3    3  -0.060857  -0.114265   0.044513
+    1SOL     O4    4   0.131647   0.144529   0.003086
+    1SOL     H5    5   0.073866   0.216470   0.028549
+    1SOL     H6    6   0.133462   0.086988   0.079558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065755   0.037781  -0.178732
+    0SOL     H2    2   0.126737   0.004247  -0.244451
+    0SOL     H3    3   0.098619   0.003319  -0.095698
+    1SOL     O4    4  -0.064204  -0.033180   0.176489
+    1SOL     H5    5  -0.109947  -0.019422   0.259439
+    1SOL     H6    6  -0.133251  -0.057217   0.114707
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.174245  -0.054672   0.079174
+    0SOL     H2    2   0.098663  -0.043076   0.136751
+    0SOL     H3    3   0.149391  -0.126621   0.021141
+    1SOL     O4    4  -0.174215   0.061900  -0.076594
+    1SOL     H5    5  -0.089185   0.095299  -0.105171
+    1SOL     H6    6  -0.168196  -0.032821  -0.089003
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127757  -0.032995   0.158693
+    0SOL     H2    2   0.104160  -0.121071   0.129570
+    0SOL     H3    3   0.175565   0.004701   0.084830
+    1SOL     O4    4  -0.125720   0.042057  -0.152049
+    1SOL     H5    5  -0.217906   0.020455  -0.137999
+    1SOL     H6    6  -0.086780  -0.039042  -0.184745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140010  -0.142899   0.079279
+    0SOL     H2    2   0.091492  -0.157128  -0.001997
+    0SOL     H3    3   0.100989  -0.064070   0.117036
+    1SOL     O4    4  -0.132154   0.134245  -0.071986
+    1SOL     H5    5  -0.224012   0.152515  -0.091751
+    1SOL     H6    6  -0.083149   0.195187  -0.127186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084782   0.153018   0.129505
+    0SOL     H2    2  -0.146149   0.086230   0.160097
+    0SOL     H3    3  -0.021364   0.161738   0.200670
+    1SOL     O4    4   0.078944  -0.148860  -0.130998
+    1SOL     H5    5   0.072487  -0.181302  -0.220821
+    1SOL     H6    6   0.172430  -0.133051  -0.117855
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024666   0.121922   0.172279
+    0SOL     H2    2  -0.027413   0.093222   0.263554
+    0SOL     H3    3  -0.046849   0.214973   0.175702
+    1SOL     O4    4   0.029660  -0.131787  -0.178330
+    1SOL     H5    5  -0.062783  -0.114672  -0.196320
+    1SOL     H6    6   0.064635  -0.047311  -0.149994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098096   0.171719   0.109468
+    0SOL     H2    2  -0.146167   0.139452   0.185694
+    0SOL     H3    3  -0.030949   0.105374   0.093593
+    1SOL     O4    4   0.093091  -0.169040  -0.117828
+    1SOL     H5    5   0.142270  -0.086934  -0.119317
+    1SOL     H6    6   0.108445  -0.204628  -0.030306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.166535  -0.028898  -0.137917
+    0SOL     H2    2   0.194972  -0.113743  -0.171903
+    0SOL     H3    3   0.240922   0.002520  -0.086518
+    1SOL     O4    4  -0.174202   0.027315   0.140646
+    1SOL     H5    5  -0.194646   0.036928   0.047630
+    1SOL     H6    6  -0.135360   0.111202   0.165475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043333  -0.077213  -0.211772
+    0SOL     H2    2  -0.095998   0.001692  -0.199015
+    0SOL     H3    3   0.044651  -0.052155  -0.183607
+    1SOL     O4    4   0.042259   0.073694   0.203566
+    1SOL     H5    5   0.080859  -0.004930   0.242175
+    1SOL     H6    6  -0.017640   0.106450   0.270659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061839   0.130171  -0.180312
+    0SOL     H2    2   0.076857   0.036188  -0.170108
+    0SOL     H3    3   0.071283   0.145923  -0.274254
+    1SOL     O4    4  -0.061093  -0.122465   0.179662
+    1SOL     H5    5  -0.147104  -0.126602   0.221462
+    1SOL     H6    6  -0.005983  -0.180309   0.232381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065814   0.219457   0.058894
+    0SOL     H2    2  -0.020124   0.223397  -0.025125
+    0SOL     H3    3  -0.158455   0.227628   0.036239
+    1SOL     O4    4   0.065050  -0.222909  -0.058267
+    1SOL     H5    5   0.033981  -0.205001   0.030482
+    1SOL     H6    6   0.155562  -0.191772  -0.058748
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.230111  -0.058828   0.116132
+    0SOL     H2    2  -0.237811  -0.013274   0.199964
+    0SOL     H3    3  -0.296403  -0.017994   0.060452
+    1SOL     O4    4   0.231933   0.060376  -0.122208
+    1SOL     H5    5   0.219486  -0.034256  -0.129432
+    1SOL     H6    6   0.265470   0.073469  -0.033516
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.216450   0.168702   0.051305
+    0SOL     H2    2   0.165457   0.096812   0.088642
+    0SOL     H3    3   0.273741   0.197027   0.122563
+    1SOL     O4    4  -0.217328  -0.168748  -0.062993
+    1SOL     H5    5  -0.264874  -0.190796   0.017104
+    1SOL     H6    6  -0.155580  -0.100661  -0.036278
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000771   0.156101  -0.238740
+    0SOL     H2    2   0.090328   0.180328  -0.222119
+    0SOL     H3    3  -0.034456   0.129295  -0.153246
+    1SOL     O4    4  -0.005588  -0.160877   0.230552
+    1SOL     H5    5   0.077079  -0.161848   0.278796
+    1SOL     H6    6  -0.028771  -0.068203   0.224525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115758   0.237673   0.116966
+    0SOL     H2    2  -0.137035   0.194900   0.199912
+    0SOL     H3    3  -0.112811   0.166318   0.053231
+    1SOL     O4    4   0.117179  -0.233310  -0.124045
+    1SOL     H5    5   0.103043  -0.146376  -0.086563
+    1SOL     H6    6   0.123554  -0.291388  -0.048225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011397  -0.012473  -0.291131
+    0SOL     H2    2  -0.077167   0.023836  -0.291771
+    0SOL     H3    3   0.068561   0.063497  -0.302231
+    1SOL     O4    4  -0.012495   0.008972   0.286597
+    1SOL     H5    5   0.070488   0.031421   0.328695
+    1SOL     H6    6  -0.044921  -0.066279   0.336077
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.089038   0.284667  -0.166117
+    0SOL     H2    2   0.127475   0.367829  -0.193847
+    0SOL     H3    3  -0.001792   0.289061  -0.195999
+    1SOL     O4    4  -0.081599  -0.291407   0.165292
+    1SOL     H5    5  -0.175430  -0.308185   0.156542
+    1SOL     H6    6  -0.073156  -0.245216   0.248704
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089731   0.265525   0.261592
+    0SOL     H2    2  -0.128534   0.194435   0.312610
+    0SOL     H3    3  -0.011804   0.226734   0.221780
+    1SOL     O4    4   0.086850  -0.265336  -0.258162
+    1SOL     H5    5   0.097254  -0.258582  -0.353075
+    1SOL     H6    6   0.087317  -0.174676  -0.227456
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.193218   0.017753  -0.335645
+    0SOL     H2    2   0.139063   0.033220  -0.258248
+    0SOL     H3    3   0.276300  -0.014519  -0.300744
+    1SOL     O4    4  -0.190919  -0.021961   0.333319
+    1SOL     H5    5  -0.271084   0.022967   0.360102
+    1SOL     H6    6  -0.168587   0.017116   0.248840
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128185  -0.113009   0.439327
+    0SOL     H2    2  -0.058083  -0.060505   0.477944
+    0SOL     H3    3  -0.165640  -0.161054   0.513159
+    1SOL     O4    4   0.130380   0.111854  -0.451983
+    1SOL     H5    5   0.040591   0.079987  -0.442773
+    1SOL     H6    6   0.147713   0.158703  -0.370331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.340035   0.221724   0.250266
+    0SOL     H2    2  -0.368983   0.217198   0.159140
+    0SOL     H3    3  -0.338750   0.315289   0.270420
+    1SOL     O4    4   0.345795  -0.227462  -0.240837
+    1SOL     H5    5   0.363792  -0.254971  -0.330735
+    1SOL     H6    6   0.256246  -0.193757  -0.243526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.393880  -0.014414  -0.279837
+    0SOL     H2    2  -0.443899  -0.090145  -0.249418
+    0SOL     H3    3  -0.343027   0.012988  -0.203513
+    1SOL     O4    4   0.394781   0.011672   0.271712
+    1SOL     H5    5   0.458611   0.082970   0.273863
+    1SOL     H6    6   0.318025   0.046807   0.316837
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.130748  -0.450105  -0.118611
+    0SOL     H2    2   0.185552  -0.487784  -0.187452
+    0SOL     H3    3   0.077760  -0.384220  -0.163486
+    1SOL     O4    4  -0.129365   0.454378   0.122005
+    1SOL     H5    5  -0.182675   0.444385   0.200875
+    1SOL     H6    6  -0.102410   0.365255   0.099806
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075461   0.302763   0.380953
+    0SOL     H2    2  -0.089400   0.221642   0.429814
+    0SOL     H3    3   0.012114   0.293446   0.343454
+    1SOL     O4    4   0.072292  -0.300452  -0.375842
+    1SOL     H5    5   0.003086  -0.239946  -0.402524
+    1SOL     H6    6   0.124611  -0.313454  -0.454937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.447103   0.271564  -0.211456
+    0SOL     H2    2  -0.432028   0.189598  -0.258537
+    0SOL     H3    3  -0.520542   0.252553  -0.153081
+    1SOL     O4    4   0.451462  -0.266850   0.216820
+    1SOL     H5    5   0.491349  -0.192562   0.171513
+    1SOL     H6    6   0.404523  -0.314381   0.148264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.240671  -0.268886  -0.485121
+    0SOL     H2    2  -0.176259  -0.304962  -0.424195
+    0SOL     H3    3  -0.202645  -0.283580  -0.571726
+    1SOL     O4    4   0.238043   0.271852   0.492075
+    1SOL     H5    5   0.277602   0.262930   0.405369
+    1SOL     H6    6   0.143812   0.273802   0.475376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.340298   0.510252   0.264308
+    0SOL     H2    2   0.433566   0.517476   0.284585
+    0SOL     H3    3   0.297804   0.501419   0.349623
+    1SOL     O4    4  -0.348711  -0.508104  -0.273097
+    1SOL     H5    5  -0.269110  -0.544894  -0.311469
+    1SOL     H6    6  -0.332111  -0.508069  -0.178828
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.698929   0.263012   0.100812
+    0SOL     H2    2  -0.687334   0.175217   0.137144
+    0SOL     H3    3  -0.788500   0.287123   0.124435
+    1SOL     O4    4   0.703265  -0.255684  -0.109037
+    1SOL     H5    5   0.756125  -0.255346  -0.029237
+    1SOL     H6    6   0.649023  -0.334196  -0.101561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.552719  -0.556679  -0.015912
+    0SOL     H2    2   0.625999  -0.511239  -0.057476
+    0SOL     H3    3   0.515322  -0.492095   0.044027
+    1SOL     O4    4  -0.554377   0.549610   0.020440
+    1SOL     H5    5  -0.544736   0.628447  -0.032984
+    1SOL     H6    6  -0.574041   0.480225  -0.042499
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/440K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.352853   0.727194   0.033302
+    0SOL     H2    2  -0.315150   0.790509  -0.027788
+    0SOL     H3    3  -0.286528   0.658578   0.040724
+    1SOL     O4    4   0.347261  -0.720571  -0.027083
+    1SOL     H5    5   0.361362  -0.739090  -0.119929
+    1SOL     H6    6   0.328238  -0.805945   0.011798
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059628   0.087440   0.050884
+    0SOL     H2    2  -0.100019   0.047138   0.127739
+    0SOL     H3    3  -0.116185   0.161871   0.030302
+    1SOL     O4    4   0.071121  -0.089135  -0.058182
+    1SOL     H5    5   0.023772  -0.170607  -0.041369
+    1SOL     H6    6   0.022915  -0.022748  -0.008874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018777   0.094645  -0.076947
+    0SOL     H2    2  -0.108353   0.108892  -0.107531
+    0SOL     H3    3   0.030947   0.075388  -0.156439
+    1SOL     O4    4   0.022960  -0.101042   0.082637
+    1SOL     H5    5   0.007718  -0.037259   0.012911
+    1SOL     H6    6   0.006616  -0.052538   0.163523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001349  -0.060613   0.118382
+    0SOL     H2    2  -0.019553  -0.009564   0.039484
+    0SOL     H3    3   0.091297  -0.044689   0.136424
+    1SOL     O4    4  -0.008404   0.057924  -0.110970
+    1SOL     H5    5   0.073789   0.106977  -0.111549
+    1SOL     H6    6   0.003965  -0.010409  -0.176848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043124   0.118955   0.044327
+    0SOL     H2    2  -0.006199   0.034984   0.016982
+    0SOL     H3    3  -0.088555   0.151624  -0.033334
+    1SOL     O4    4   0.038848  -0.114544  -0.042096
+    1SOL     H5    5   0.034511  -0.165927   0.038547
+    1SOL     H6    6   0.132333  -0.099173  -0.055760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016820   0.101473   0.084810
+    0SOL     H2    2   0.047470   0.118670   0.153610
+    0SOL     H3    3   0.024417   0.035149   0.029466
+    1SOL     O4    4   0.011900  -0.092870  -0.081985
+    1SOL     H5    5   0.012682  -0.182491  -0.048370
+    1SOL     H6    6  -0.010062  -0.102198  -0.174683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130836  -0.030651  -0.043211
+    0SOL     H2    2  -0.037394  -0.041214  -0.061079
+    0SOL     H3    3  -0.134375   0.006176   0.045070
+    1SOL     O4    4   0.121696   0.025674   0.043066
+    1SOL     H5    5   0.176300  -0.007099  -0.028395
+    1SOL     H6    6   0.131356   0.120816   0.038960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002667   0.114507   0.057038
+    0SOL     H2    2   0.068981   0.145015   0.112700
+    0SOL     H3    3  -0.077221   0.169219   0.081746
+    1SOL     O4    4   0.001876  -0.125086  -0.066448
+    1SOL     H5    5   0.059268  -0.126689   0.010141
+    1SOL     H6    6  -0.035586  -0.037001  -0.066526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024358   0.044322   0.125666
+    0SOL     H2    2  -0.002347  -0.019426   0.191889
+    0SOL     H3    3   0.113277   0.018216   0.101704
+    1SOL     O4    4  -0.028749  -0.035532  -0.133606
+    1SOL     H5    5  -0.012895  -0.003954  -0.044647
+    1SOL     H6    6  -0.029104  -0.130908  -0.125509
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106126  -0.078556  -0.008736
+    0SOL     H2    2   0.190211  -0.034313   0.002862
+    0SOL     H3    3   0.113184  -0.157831   0.044443
+    1SOL     O4    4  -0.111778   0.086133   0.002368
+    1SOL     H5    5  -0.177088   0.043852   0.058130
+    1SOL     H6    6  -0.040137   0.022869  -0.002888
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062168  -0.082697  -0.097081
+    0SOL     H2    2  -0.123265  -0.034933  -0.153188
+    0SOL     H3    3  -0.009061  -0.014518  -0.055928
+    1SOL     O4    4   0.064996   0.072770   0.092377
+    1SOL     H5    5   0.030379   0.038393   0.174731
+    1SOL     H6    6   0.058732   0.167844   0.101537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028902   0.104964   0.082062
+    0SOL     H2    2   0.108061   0.070300   0.040896
+    0SOL     H3    3   0.058349   0.137414   0.167164
+    1SOL     O4    4  -0.040746  -0.108703  -0.084216
+    1SOL     H5    5  -0.019987  -0.022125  -0.049064
+    1SOL     H6    6   0.037083  -0.133672  -0.134030
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093719  -0.031499  -0.089704
+    0SOL     H2    2   0.187681  -0.021244  -0.104813
+    0SOL     H3    3   0.062111  -0.079071  -0.166516
+    1SOL     O4    4  -0.097475   0.038238   0.100289
+    1SOL     H5    5  -0.029123   0.017440   0.036589
+    1SOL     H6    6  -0.170726  -0.018509   0.076279
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081277   0.078500  -0.090624
+    0SOL     H2    2   0.045151   0.027997  -0.017777
+    0SOL     H3    3   0.038602   0.163931  -0.084095
+    1SOL     O4    4  -0.079773  -0.076616   0.081887
+    1SOL     H5    5  -0.042552  -0.052333   0.166664
+    1SOL     H6    6  -0.063209  -0.170597   0.074437
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105151  -0.073596  -0.072235
+    0SOL     H2    2   0.038167  -0.072899  -0.003861
+    0SOL     H3    3   0.135596   0.017032  -0.076930
+    1SOL     O4    4  -0.096898   0.066181   0.071357
+    1SOL     H5    5  -0.178181   0.016195   0.063817
+    1SOL     H6    6  -0.117329   0.151226   0.032468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131626  -0.055676   0.032729
+    0SOL     H2    2   0.157349   0.021442   0.083261
+    0SOL     H3    3   0.052979  -0.028304  -0.014470
+    1SOL     O4    4  -0.121787   0.047935  -0.034559
+    1SOL     H5    5  -0.162243   0.133677  -0.047746
+    1SOL     H6    6  -0.190286  -0.004870   0.006449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122487   0.057930   0.051380
+    0SOL     H2    2   0.054506   0.022558  -0.005976
+    0SOL     H3    3   0.195928  -0.002705   0.041781
+    1SOL     O4    4  -0.122428  -0.047059  -0.052484
+    1SOL     H5    5  -0.138933  -0.040271   0.041558
+    1SOL     H6    6  -0.110038  -0.140701  -0.067977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.069670  -0.128524  -0.010797
+    0SOL     H2    2  -0.008509  -0.055004  -0.014871
+    0SOL     H3    3  -0.035618  -0.184217   0.059212
+    1SOL     O4    4   0.069353   0.124349   0.004030
+    1SOL     H5    5   0.062707   0.162845   0.091415
+    1SOL     H6    6  -0.018496   0.133343  -0.032902
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128437  -0.040642  -0.032449
+    0SOL     H2    2  -0.119689  -0.116167   0.025703
+    0SOL     H3    3  -0.204141  -0.061221  -0.087291
+    1SOL     O4    4   0.134845   0.051050   0.026863
+    1SOL     H5    5   0.174695   0.031381   0.111641
+    1SOL     H6    6   0.054702  -0.001267   0.025300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065994  -0.127475  -0.041043
+    0SOL     H2    2  -0.023621  -0.117863  -0.126334
+    0SOL     H3    3  -0.062540  -0.039914  -0.002526
+    1SOL     O4    4   0.062651   0.116103   0.039586
+    1SOL     H5    5   0.096338   0.202089   0.014407
+    1SOL     H6    6   0.040408   0.125232   0.132237
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052586   0.092429  -0.088569
+    0SOL     H2    2  -0.008740   0.134760  -0.148649
+    0SOL     H3    3   0.137998   0.102147  -0.130671
+    1SOL     O4    4  -0.051759  -0.100989   0.095326
+    1SOL     H5    5  -0.103909  -0.051764   0.158726
+    1SOL     H6    6  -0.045909  -0.043334   0.019142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125911  -0.036250   0.071073
+    0SOL     H2    2   0.043282  -0.009821   0.030623
+    0SOL     H3    3   0.104119  -0.050277   0.163217
+    1SOL     O4    4  -0.119440   0.031407  -0.068337
+    1SOL     H5    5  -0.144057   0.123904  -0.067553
+    1SOL     H6    6  -0.112141   0.009302  -0.161183
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039734   0.077870   0.112035
+    0SOL     H2    2   0.052907   0.127325   0.031146
+    0SOL     H3    3   0.048195   0.143023   0.181646
+    1SOL     O4    4  -0.040374  -0.087776  -0.118020
+    1SOL     H5    5  -0.086845  -0.008483  -0.091276
+    1SOL     H6    6  -0.004086  -0.122904  -0.036708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016901  -0.063498  -0.127613
+    0SOL     H2    2  -0.039646  -0.144829  -0.172672
+    0SOL     H3    3  -0.099599  -0.032640  -0.090585
+    1SOL     O4    4   0.017804   0.070020   0.128535
+    1SOL     H5    5   0.077857   0.057110   0.055122
+    1SOL     H6    6   0.051094   0.012253   0.197216
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018216  -0.142298   0.015574
+    0SOL     H2    2   0.025483  -0.161420   0.098562
+    0SOL     H3    3  -0.110861  -0.134727   0.038422
+    1SOL     O4    4   0.016980   0.146044  -0.025583
+    1SOL     H5    5   0.028319   0.051823  -0.013087
+    1SOL     H6    6   0.075935   0.186000   0.038371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071080   0.114756   0.045184
+    0SOL     H2    2  -0.056065   0.194471  -0.005634
+    0SOL     H3    3  -0.036741   0.134956   0.132219
+    1SOL     O4    4   0.067347  -0.126629  -0.046610
+    1SOL     H5    5   0.132167  -0.080653  -0.099966
+    1SOL     H6    6   0.023383  -0.057369   0.002712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.147321   0.032834   0.021243
+    0SOL     H2    2  -0.138728   0.092130  -0.053407
+    0SOL     H3    3  -0.062481  -0.011131   0.026858
+    1SOL     O4    4   0.137204  -0.029774  -0.019818
+    1SOL     H5    5   0.153842  -0.121980  -0.039402
+    1SOL     H6    6   0.205961  -0.005636   0.042248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137276  -0.000420  -0.031734
+    0SOL     H2    2  -0.177526  -0.061165  -0.093800
+    0SOL     H3    3  -0.193928   0.076714  -0.033475
+    1SOL     O4    4   0.148130   0.003697   0.035047
+    1SOL     H5    5   0.132194  -0.064220   0.100588
+    1SOL     H6    6   0.073459  -0.002448  -0.024526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067416   0.108245   0.075336
+    0SOL     H2    2  -0.039907   0.018954   0.096138
+    0SOL     H3    3  -0.024591   0.162577   0.141490
+    1SOL     O4    4   0.063507  -0.100525  -0.076550
+    1SOL     H5    5   0.131414  -0.130796  -0.136838
+    1SOL     H6    6  -0.004866  -0.167297  -0.081934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093352   0.071417  -0.096826
+    0SOL     H2    2  -0.034579   0.057024  -0.170994
+    0SOL     H3    3  -0.076391  -0.002257  -0.038116
+    1SOL     O4    4   0.090492  -0.071072   0.095236
+    1SOL     H5    5   0.139572   0.011065   0.097883
+    1SOL     H6    6   0.009504  -0.052174   0.142628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006900  -0.103731   0.115266
+    0SOL     H2    2   0.011727  -0.130774   0.023572
+    0SOL     H3    3   0.042290  -0.014797   0.115952
+    1SOL     O4    4  -0.008006   0.094307  -0.112288
+    1SOL     H5    5   0.049995   0.169427  -0.099833
+    1SOL     H6    6  -0.090778   0.121009  -0.072313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113831   0.092153   0.012082
+    0SOL     H2    2   0.189620   0.069315  -0.041741
+    0SOL     H3    3   0.071220   0.163450  -0.035493
+    1SOL     O4    4  -0.120310  -0.091713  -0.010557
+    1SOL     H5    5  -0.024778  -0.092747  -0.016474
+    1SOL     H6    6  -0.140105  -0.143926   0.067188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136258  -0.021177   0.052365
+    0SOL     H2    2  -0.199643   0.048794   0.068138
+    0SOL     H3    3  -0.158064  -0.054106  -0.034827
+    1SOL     O4    4   0.144180   0.023486  -0.050521
+    1SOL     H5    5   0.051060   0.003035  -0.059051
+    1SOL     H6    6   0.180138  -0.049156   0.000395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006270  -0.014158   0.154480
+    0SOL     H2    2   0.033057   0.068321   0.182994
+    0SOL     H3    3   0.004953  -0.014497   0.059421
+    1SOL     O4    4   0.006931   0.005167  -0.147378
+    1SOL     H5    5   0.024088   0.098241  -0.161702
+    1SOL     H6    6  -0.075607  -0.011314  -0.192965
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030291   0.146845   0.010264
+    0SOL     H2    2   0.084231   0.133048   0.088126
+    0SOL     H3    3  -0.057393   0.164090   0.044562
+    1SOL     O4    4  -0.023436  -0.149087  -0.012476
+    1SOL     H5    5  -0.092893  -0.198965  -0.055489
+    1SOL     H6    6  -0.031103  -0.060915  -0.048933
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078716   0.126125   0.031407
+    0SOL     H2    2   0.160670   0.145998  -0.013880
+    0SOL     H3    3   0.097820   0.047185   0.082062
+    1SOL     O4    4  -0.089735  -0.125647  -0.035175
+    1SOL     H5    5  -0.042952  -0.154178   0.043309
+    1SOL     H6    6  -0.051839  -0.040249  -0.055989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054148  -0.016715   0.140335
+    0SOL     H2    2  -0.040793   0.077959   0.135766
+    0SOL     H3    3  -0.149222  -0.027658   0.138467
+    1SOL     O4    4   0.063870   0.014793  -0.143899
+    1SOL     H5    5   0.044252  -0.075644  -0.119432
+    1SOL     H6    6  -0.004292   0.066570  -0.101057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080002   0.087828   0.093236
+    0SOL     H2    2  -0.134208   0.138761   0.032987
+    0SOL     H3    3  -0.133746   0.011796   0.115441
+    1SOL     O4    4   0.085613  -0.093009  -0.090437
+    1SOL     H5    5   0.084159  -0.028952  -0.019325
+    1SOL     H6    6   0.103252  -0.041251  -0.169001
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040184  -0.088189   0.125145
+    0SOL     H2    2   0.114346  -0.070680   0.067217
+    0SOL     H3    3  -0.035105  -0.094818   0.066409
+    1SOL     O4    4  -0.039992   0.094207  -0.115521
+    1SOL     H5    5   0.007429   0.060219  -0.191405
+    1SOL     H6    6  -0.090348   0.019475  -0.083245
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113652   0.096758  -0.036158
+    0SOL     H2    2   0.063988   0.151777  -0.096728
+    0SOL     H3    3   0.133338   0.017612  -0.086265
+    1SOL     O4    4  -0.114586  -0.102301   0.042638
+    1SOL     H5    5  -0.045409  -0.070925  -0.015606
+    1SOL     H6    6  -0.140215  -0.025165   0.093191
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.143598  -0.020217  -0.045786
+    0SOL     H2    2   0.219898   0.014701   0.000272
+    0SOL     H3    3   0.168723  -0.109448  -0.069636
+    1SOL     O4    4  -0.152867   0.020890   0.039247
+    1SOL     H5    5  -0.063073   0.054022   0.037972
+    1SOL     H6    6  -0.183251   0.037338   0.128514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063565   0.050787   0.132171
+    0SOL     H2    2   0.027462   0.064302   0.158511
+    0SOL     H3    3  -0.109458   0.030867   0.213776
+    1SOL     O4    4   0.068015  -0.048123  -0.138008
+    1SOL     H5    5  -0.000999  -0.038873  -0.072329
+    1SOL     H6    6   0.026405  -0.095481  -0.210037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033957  -0.154288   0.013250
+    0SOL     H2    2   0.118574  -0.198258   0.021551
+    0SOL     H3    3   0.026135  -0.102029   0.093063
+    1SOL     O4    4  -0.044496   0.154113  -0.017307
+    1SOL     H5    5   0.018323   0.098640   0.028941
+    1SOL     H6    6   0.008849   0.205117  -0.078260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114948   0.105613   0.042135
+    0SOL     H2    2  -0.170493   0.092998   0.119063
+    0SOL     H3    3  -0.074238   0.020199   0.027662
+    1SOL     O4    4   0.118520  -0.104225  -0.041104
+    1SOL     H5    5   0.039655  -0.119981  -0.093010
+    1SOL     H6    6   0.146857  -0.016411  -0.066558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127417   0.097214   0.000675
+    0SOL     H2    2   0.044348   0.115751  -0.043122
+    0SOL     H3    3   0.139363   0.170251   0.061381
+    1SOL     O4    4  -0.127503  -0.102977  -0.007126
+    1SOL     H5    5  -0.140252  -0.063126   0.078965
+    1SOL     H6    6  -0.039723  -0.140948  -0.003233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067446  -0.095159   0.115980
+    0SOL     H2    2  -0.050414  -0.033937   0.044398
+    0SOL     H3    3  -0.134116  -0.154523   0.081436
+    1SOL     O4    4   0.073994   0.089443  -0.112179
+    1SOL     H5    5   0.002551   0.127344  -0.163381
+    1SOL     H6    6   0.078917   0.144081  -0.033739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.117780  -0.099118  -0.056925
+    0SOL     H2    2  -0.046581  -0.133940  -0.110594
+    0SOL     H3    3  -0.136567  -0.013229  -0.094774
+    1SOL     O4    4   0.118441   0.090921   0.064362
+    1SOL     H5    5   0.035384   0.086171   0.017019
+    1SOL     H6    6   0.133433   0.184586   0.077184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066860  -0.086277  -0.124447
+    0SOL     H2    2   0.125345  -0.099766  -0.049883
+    0SOL     H3    3  -0.014392  -0.130294  -0.099487
+    1SOL     O4    4  -0.069140   0.094144   0.117048
+    1SOL     H5    5  -0.017758   0.032383   0.065012
+    1SOL     H6    6  -0.054352   0.067253   0.207714
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003878   0.061309  -0.158707
+    0SOL     H2    2  -0.014140   0.001545  -0.086140
+    0SOL     H3    3  -0.016705   0.010597  -0.237237
+    1SOL     O4    4  -0.000147  -0.058427   0.153927
+    1SOL     H5    5   0.034793   0.023502   0.188987
+    1SOL     H6    6  -0.067039  -0.084950   0.217049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029643  -0.170634  -0.028523
+    0SOL     H2    2  -0.034560  -0.144759   0.063502
+    0SOL     H3    3  -0.088718  -0.110303  -0.073606
+    1SOL     O4    4   0.037015   0.170151   0.022726
+    1SOL     H5    5   0.062313   0.112151   0.094547
+    1SOL     H6    6  -0.054160   0.147413   0.004493
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068254  -0.116705   0.108275
+    0SOL     H2    2   0.067720  -0.093213   0.201066
+    0SOL     H3    3   0.072149  -0.212344   0.107755
+    1SOL     O4    4  -0.064104   0.124156  -0.116417
+    1SOL     H5    5  -0.154907   0.147901  -0.097626
+    1SOL     H6    6  -0.052687   0.038497  -0.075251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089674  -0.106726   0.117304
+    0SOL     H2    2  -0.072261  -0.125417   0.209552
+    0SOL     H3    3  -0.092263  -0.011175   0.112251
+    1SOL     O4    4   0.090392   0.102507  -0.116526
+    1SOL     H5    5   0.145680   0.090510  -0.193738
+    1SOL     H6    6   0.001814   0.111680  -0.151627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044500  -0.178043  -0.024371
+    0SOL     H2    2   0.060866  -0.248903   0.037865
+    0SOL     H3    3   0.037550  -0.099529   0.029939
+    1SOL     O4    4  -0.042809   0.182328   0.013003
+    1SOL     H5    5  -0.131670   0.172606   0.047231
+    1SOL     H6    6   0.007863   0.114924   0.058295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102620   0.122037   0.097960
+    0SOL     H2    2  -0.085611   0.070380   0.019191
+    0SOL     H3    3  -0.084367   0.212305   0.071868
+    1SOL     O4    4   0.103331  -0.119756  -0.088426
+    1SOL     H5    5   0.073424  -0.106425  -0.178371
+    1SOL     H6    6   0.089684  -0.213096  -0.072183
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.155806  -0.102961   0.038967
+    0SOL     H2    2  -0.146506  -0.154624  -0.041076
+    0SOL     H3    3  -0.066282  -0.092108   0.071062
+    1SOL     O4    4   0.150524   0.099534  -0.033099
+    1SOL     H5    5   0.101496   0.114373  -0.113960
+    1SOL     H6    6   0.183245   0.186100  -0.008645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.090486   0.161434  -0.008556
+    0SOL     H2    2  -0.134017   0.195927   0.069403
+    0SOL     H3    3  -0.158324   0.111183  -0.053668
+    1SOL     O4    4   0.101660  -0.161189   0.011022
+    1SOL     H5    5   0.033364  -0.223037  -0.014917
+    1SOL     H6    6   0.086541  -0.084298  -0.043948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.184021  -0.031730   0.030714
+    0SOL     H2    2  -0.236618  -0.016250  -0.047748
+    0SOL     H3    3  -0.156075   0.055511   0.058470
+    1SOL     O4    4   0.189532   0.020056  -0.028318
+    1SOL     H5    5   0.202462   0.107052  -0.066092
+    1SOL     H6    6   0.107065   0.026803   0.019807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.182019  -0.042525   0.011963
+    0SOL     H2    2   0.255301  -0.028504   0.071926
+    0SOL     H3    3   0.217751  -0.022820  -0.074623
+    1SOL     O4    4  -0.193288   0.035987  -0.009660
+    1SOL     H5    5  -0.103205   0.030563   0.022244
+    1SOL     H6    6  -0.197651   0.120158  -0.055032
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077126  -0.174759  -0.069147
+    0SOL     H2    2   0.171898  -0.178817  -0.081957
+    0SOL     H3    3   0.064818  -0.107468  -0.002194
+    1SOL     O4    4  -0.076771   0.167846   0.068216
+    1SOL     H5    5  -0.077438   0.239798   0.005090
+    1SOL     H6    6  -0.168784   0.155541   0.091551
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000983  -0.025567   0.198348
+    0SOL     H2    2  -0.006660  -0.033667   0.293555
+    0SOL     H3    3  -0.090015  -0.042390   0.167481
+    1SOL     O4    4   0.006302   0.020301  -0.201638
+    1SOL     H5    5   0.060443   0.080809  -0.252332
+    1SOL     H6    6  -0.053817   0.076797  -0.153097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024199   0.186878  -0.074070
+    0SOL     H2    2  -0.067760   0.207330  -0.091032
+    0SOL     H3    3   0.063741   0.180269  -0.160990
+    1SOL     O4    4  -0.016706  -0.189320   0.081038
+    1SOL     H5    5  -0.042882  -0.131347   0.009510
+    1SOL     H6    6  -0.098673  -0.211365   0.125283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017930   0.051215   0.197117
+    0SOL     H2    2   0.019633  -0.008479   0.261831
+    0SOL     H3    3   0.027620   0.134136   0.211668
+    1SOL     O4    4   0.012784  -0.050803  -0.195470
+    1SOL     H5    5  -0.059812  -0.079972  -0.250618
+    1SOL     H6    6   0.089087  -0.052749  -0.253230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033632   0.040294   0.203087
+    0SOL     H2    2  -0.026136   0.120823   0.151889
+    0SOL     H3    3  -0.124159   0.039967   0.234185
+    1SOL     O4    4   0.034579  -0.041102  -0.206173
+    1SOL     H5    5   0.101125  -0.107124  -0.225537
+    1SOL     H6    6   0.030461  -0.038498  -0.110577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043084  -0.209247  -0.002820
+    0SOL     H2    2   0.042039  -0.236878  -0.036776
+    0SOL     H3    3  -0.072654  -0.141913  -0.064090
+    1SOL     O4    4   0.040588   0.209794   0.003322
+    1SOL     H5    5   0.108232   0.173326   0.060389
+    1SOL     H6    6  -0.041739   0.189782   0.047866
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070682  -0.185561   0.086884
+    0SOL     H2    2  -0.042499  -0.200757  -0.003323
+    0SOL     H3    3  -0.040771  -0.096830   0.106747
+    1SOL     O4    4   0.065598   0.187785  -0.084474
+    1SOL     H5    5   0.057759   0.111009  -0.141098
+    1SOL     H6    6   0.111899   0.155854  -0.007020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.131974   0.134202  -0.097577
+    0SOL     H2    2  -0.054639   0.142737  -0.041820
+    0SOL     H3    3  -0.196425   0.193142  -0.058406
+    1SOL     O4    4   0.137286  -0.142017   0.093757
+    1SOL     H5    5   0.135742  -0.050297   0.066418
+    1SOL     H6    6   0.045206  -0.164775   0.106630
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135131  -0.026148   0.163198
+    0SOL     H2    2  -0.145039  -0.011659   0.069101
+    0SOL     H3    3  -0.210639  -0.079814   0.187298
+    1SOL     O4    4   0.139359   0.034660  -0.159638
+    1SOL     H5    5   0.119128  -0.018563  -0.082694
+    1SOL     H6    6   0.175988  -0.027311  -0.222728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.164145   0.143805   0.007885
+    0SOL     H2    2   0.140244   0.103693  -0.075674
+    0SOL     H3    3   0.088921   0.198437   0.030667
+    1SOL     O4    4  -0.157972  -0.150113  -0.007550
+    1SOL     H5    5  -0.183223  -0.061957  -0.034994
+    1SOL     H6    6  -0.133960  -0.140600   0.084619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045518  -0.197703   0.068031
+    0SOL     H2    2  -0.073394  -0.275182   0.116839
+    0SOL     H3    3  -0.107856  -0.129641   0.093405
+    1SOL     O4    4   0.050199   0.203588  -0.076089
+    1SOL     H5    5   0.126270   0.146283  -0.066514
+    1SOL     H6    6  -0.015704   0.165933  -0.017770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.172859   0.047030  -0.125838
+    0SOL     H2    2   0.244922   0.070861  -0.067518
+    0SOL     H3    3   0.205875   0.065815  -0.213698
+    1SOL     O4    4  -0.180882  -0.044998   0.123522
+    1SOL     H5    5  -0.214593  -0.072392   0.208818
+    1SOL     H6    6  -0.106010  -0.102501   0.107713
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061253  -0.186731  -0.108619
+    0SOL     H2    2  -0.108014  -0.269334  -0.120958
+    0SOL     H3    3   0.007902  -0.207459  -0.045767
+    1SOL     O4    4   0.062455   0.187251   0.101833
+    1SOL     H5    5  -0.007289   0.179093   0.166882
+    1SOL     H6    6   0.088400   0.279299   0.105879
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032295   0.111086   0.203945
+    0SOL     H2    2  -0.060725   0.122568   0.223379
+    0SOL     H3    3   0.042995   0.016625   0.192767
+    1SOL     O4    4  -0.027223  -0.111591  -0.199523
+    1SOL     H5    5   0.008403  -0.118116  -0.288126
+    1SOL     H6    6  -0.069926  -0.025959  -0.197074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039920   0.136826  -0.197065
+    0SOL     H2    2  -0.000624   0.051571  -0.178363
+    0SOL     H3    3  -0.113403   0.143282  -0.136067
+    1SOL     O4    4   0.036929  -0.134957   0.195577
+    1SOL     H5    5   0.121891  -0.105611   0.228480
+    1SOL     H6    6   0.040147  -0.117164   0.101581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020638   0.231702   0.011586
+    0SOL     H2    2  -0.072306   0.252779   0.020500
+    0SOL     H3    3   0.066088   0.308396   0.046438
+    1SOL     O4    4  -0.020473  -0.233944  -0.008227
+    1SOL     H5    5   0.016771  -0.186977  -0.082855
+    1SOL     H6    6  -0.016401  -0.326187  -0.033467
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057892  -0.042255  -0.225055
+    0SOL     H2    2  -0.040837  -0.132276  -0.252760
+    0SOL     H3    3  -0.038785   0.010707  -0.302465
+    1SOL     O4    4   0.054534   0.049645   0.234238
+    1SOL     H5    5   0.121248  -0.016545   0.252417
+    1SOL     H6    6   0.010084   0.017955   0.155611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039390   0.150065  -0.193674
+    0SOL     H2    2   0.131101   0.157849  -0.219961
+    0SOL     H3    3  -0.008138   0.205284  -0.255756
+    1SOL     O4    4  -0.037734  -0.147584   0.200863
+    1SOL     H5    5  -0.052462  -0.224896   0.255344
+    1SOL     H6    6  -0.085338  -0.165884   0.119861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102648   0.215615  -0.090574
+    0SOL     H2    2  -0.047922   0.148446  -0.131265
+    0SOL     H3    3  -0.071119   0.298007  -0.127719
+    1SOL     O4    4   0.092990  -0.213080   0.092320
+    1SOL     H5    5   0.175349  -0.229989   0.046567
+    1SOL     H6    6   0.103752  -0.255354   0.177523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050501   0.120852  -0.233298
+    0SOL     H2    2   0.086633   0.102192  -0.146646
+    0SOL     H3    3  -0.029603   0.170233  -0.215773
+    1SOL     O4    4  -0.047166  -0.118838   0.232670
+    1SOL     H5    5  -0.118560  -0.179140   0.211960
+    1SOL     H6    6   0.011182  -0.123821   0.156954
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.239594  -0.128971   0.044139
+    0SOL     H2    2   0.147310  -0.129756   0.018733
+    0SOL     H3    3   0.285217  -0.093680  -0.032251
+    1SOL     O4    4  -0.236937   0.123190  -0.044118
+    1SOL     H5    5  -0.312204   0.172028  -0.010772
+    1SOL     H6    6  -0.165989   0.143984   0.016680
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128869  -0.006004  -0.246200
+    0SOL     H2    2  -0.173943  -0.043267  -0.321977
+    0SOL     H3    3  -0.130654  -0.075659  -0.180570
+    1SOL     O4    4   0.132598   0.007238   0.244953
+    1SOL     H5    5   0.186021   0.048736   0.312675
+    1SOL     H6    6   0.069209   0.074430   0.219865
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.156591  -0.067500  -0.222040
+    0SOL     H2    2   0.170005   0.006530  -0.281218
+    0SOL     H3    3   0.229675  -0.062519  -0.160426
+    1SOL     O4    4  -0.165687   0.060517   0.225617
+    1SOL     H5    5  -0.154016   0.050858   0.131104
+    1SOL     H6    6  -0.096010   0.120434   0.252403
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.271360  -0.084576   0.006445
+    0SOL     H2    2  -0.356558  -0.128039   0.002618
+    0SOL     H3    3  -0.276762  -0.015335  -0.059426
+    1SOL     O4    4   0.274356   0.087855  -0.005874
+    1SOL     H5    5   0.347381   0.030246  -0.028478
+    1SOL     H6    6   0.243687   0.055603   0.078870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021382   0.309742  -0.045595
+    0SOL     H2    2  -0.073109   0.338066   0.029799
+    0SOL     H3    3   0.038287   0.243727  -0.010325
+    1SOL     O4    4   0.024709  -0.312329   0.035200
+    1SOL     H5    5   0.055336  -0.259805   0.109130
+    1SOL     H6    6  -0.065960  -0.284626   0.022008
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.206749   0.291501  -0.079752
+    0SOL     H2    2   0.203694   0.312519   0.013582
+    0SOL     H3    3   0.264516   0.357880  -0.117422
+    1SOL     O4    4  -0.216165  -0.296860   0.074479
+    1SOL     H5    5  -0.166261  -0.216141   0.086984
+    1SOL     H6    6  -0.153159  -0.366898   0.091429
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097398  -0.356388  -0.106000
+    0SOL     H2    2  -0.053233  -0.439009  -0.086369
+    0SOL     H3    3  -0.044154  -0.316471  -0.174804
+    1SOL     O4    4   0.086134   0.363055   0.109487
+    1SOL     H5    5   0.105745   0.310288   0.032070
+    1SOL     H6    6   0.160998   0.349270   0.167519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.393551   0.023168   0.036760
+    0SOL     H2    2  -0.384967  -0.068248   0.063813
+    0SOL     H3    3  -0.411468   0.018818  -0.057167
+    1SOL     O4    4   0.389696  -0.013500  -0.035637
+    1SOL     H5    5   0.453294   0.006707   0.032988
+    1SOL     H6    6   0.403855  -0.106178  -0.054943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104246   0.232388   0.356811
+    0SOL     H2    2   0.046158   0.170671   0.401298
+    0SOL     H3    3   0.106247   0.202252   0.265981
+    1SOL     O4    4  -0.097515  -0.226852  -0.349763
+    1SOL     H5    5  -0.184001  -0.267806  -0.352063
+    1SOL     H6    6  -0.081131  -0.200277  -0.440248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111640   0.406151  -0.163876
+    0SOL     H2    2   0.144742   0.488038  -0.126983
+    0SOL     H3    3   0.071664   0.360818  -0.089652
+    1SOL     O4    4  -0.110165  -0.404536   0.152377
+    1SOL     H5    5  -0.065934  -0.487283   0.171319
+    1SOL     H6    6  -0.174605  -0.395160   0.222533
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.323305   0.486543   0.196638
+    0SOL     H2    2   0.387769   0.546336   0.234473
+    0SOL     H3    3   0.263837   0.466503   0.268918
+    1SOL     O4    4  -0.326575  -0.482943  -0.202861
+    1SOL     H5    5  -0.363024  -0.563816  -0.166897
+    1SOL     H6    6  -0.236151  -0.505159  -0.225047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.651408   0.033219   0.211568
+    0SOL     H2    2   0.730639  -0.020484   0.212481
+    0SOL     H3    3   0.581941  -0.026950   0.184805
+    1SOL     O4    4  -0.651764  -0.027342  -0.216680
+    1SOL     H5    5  -0.575828  -0.005954  -0.162471
+    1SOL     H6    6  -0.724600  -0.032919  -0.154825
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/450K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161011   0.340381   0.711047
+    0SOL     H2    2  -0.182753   0.293767   0.791773
+    0SOL     H3    3  -0.172284   0.275164   0.641896
+    1SOL     O4    4   0.161515  -0.340711  -0.710384
+    1SOL     H5    5   0.181224  -0.293482  -0.791275
+    1SOL     H6    6   0.162786  -0.273377  -0.642363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117382  -0.040007  -0.057708
+    0SOL     H2    2   0.068510   0.021631  -0.112249
+    0SOL     H3    3   0.060976  -0.054839   0.018191
+    1SOL     O4    4  -0.109462   0.034811   0.049315
+    1SOL     H5    5  -0.144974  -0.017267   0.121351
+    1SOL     H6    6  -0.098487   0.122455   0.086199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116484   0.062672  -0.029211
+    0SOL     H2    2   0.163682  -0.020064  -0.019749
+    0SOL     H3    3   0.024640   0.039646  -0.015183
+    1SOL     O4    4  -0.114330  -0.051044   0.024919
+    1SOL     H5    5  -0.101929  -0.069410   0.118038
+    1SOL     H6    6  -0.121671  -0.137361  -0.015797
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021541   0.066189   0.116313
+    0SOL     H2    2  -0.003091   0.029681   0.031326
+    0SOL     H3    3   0.117203   0.068960   0.114426
+    1SOL     O4    4  -0.021810  -0.059850  -0.114266
+    1SOL     H5    5  -0.117449  -0.063344  -0.112474
+    1SOL     H6    6   0.005898  -0.131564  -0.057242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099664   0.079457   0.006485
+    0SOL     H2    2  -0.144683   0.097148  -0.076115
+    0SOL     H3    3  -0.167901   0.045033   0.064114
+    1SOL     O4    4   0.108501  -0.083541   0.000296
+    1SOL     H5    5   0.047967  -0.010753   0.014429
+    1SOL     H6    6   0.129675  -0.079384  -0.092960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033701  -0.084974  -0.093533
+    0SOL     H2    2  -0.086699  -0.148496  -0.045384
+    0SOL     H3    3   0.052379  -0.126189  -0.100867
+    1SOL     O4    4   0.034992   0.094921   0.095804
+    1SOL     H5    5   0.059376   0.072591   0.005976
+    1SOL     H6    6  -0.054176   0.061489   0.105483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053443   0.015416  -0.126205
+    0SOL     H2    2   0.040706   0.013777  -0.031351
+    0SOL     H3    3   0.039147   0.106821  -0.150762
+    1SOL     O4    4  -0.046880  -0.016362   0.121418
+    1SOL     H5    5  -0.140615  -0.003985   0.106492
+    1SOL     H6    6  -0.037877  -0.109509   0.141542
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063245  -0.107838   0.037666
+    0SOL     H2    2   0.144080  -0.155290   0.018266
+    0SOL     H3    3   0.058106  -0.107259   0.133246
+    1SOL     O4    4  -0.068037   0.116172  -0.037370
+    1SOL     H5    5  -0.101952   0.110855  -0.126722
+    1SOL     H6    6  -0.025952   0.031480  -0.022595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126985   0.037308  -0.043552
+    0SOL     H2    2   0.052758   0.026908   0.015985
+    0SOL     H3    3   0.202017   0.052144   0.014002
+    1SOL     O4    4  -0.129859  -0.031752   0.035684
+    1SOL     H5    5  -0.117404  -0.106755  -0.022467
+    1SOL     H6    6  -0.093675  -0.060189   0.119615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008250   0.116982   0.067036
+    0SOL     H2    2   0.094104   0.087709   0.097606
+    0SOL     H3    3  -0.041473   0.133321   0.147179
+    1SOL     O4    4  -0.004673  -0.119789  -0.077038
+    1SOL     H5    5  -0.090500  -0.154899  -0.053302
+    1SOL     H6    6  -0.008942  -0.027358  -0.052531
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011438  -0.120642  -0.059580
+    0SOL     H2    2   0.102146  -0.151120  -0.057224
+    0SOL     H3    3  -0.035336  -0.179931  -0.000764
+    1SOL     O4    4  -0.008252   0.128475   0.057991
+    1SOL     H5    5  -0.094058   0.170680   0.062282
+    1SOL     H6    6  -0.025937   0.041810   0.021402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026694   0.079849   0.102243
+    0SOL     H2    2   0.091617   0.148147   0.119056
+    0SOL     H3    3  -0.028803   0.079770   0.180232
+    1SOL     O4    4  -0.025550  -0.081093  -0.113149
+    1SOL     H5    5  -0.020719  -0.033796  -0.030071
+    1SOL     H6    6  -0.057485  -0.168143  -0.089385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025677   0.105930  -0.091910
+    0SOL     H2    2   0.009960   0.051519  -0.014743
+    0SOL     H3    3  -0.061787   0.128178  -0.123806
+    1SOL     O4    4  -0.023415  -0.100229   0.085459
+    1SOL     H5    5   0.033228  -0.173739   0.062001
+    1SOL     H6    6  -0.022277  -0.098642   0.181159
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066222  -0.093738   0.090465
+    0SOL     H2    2   0.082459  -0.021375   0.150981
+    0SOL     H3    3   0.016380  -0.054398   0.018837
+    1SOL     O4    4  -0.059857   0.083287  -0.086717
+    1SOL     H5    5  -0.135137   0.126165  -0.046013
+    1SOL     H6    6  -0.063654   0.110179  -0.178503
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033412   0.129180   0.036339
+    0SOL     H2    2   0.046828   0.114883   0.086533
+    0SOL     H3    3  -0.092715   0.172517   0.097718
+    1SOL     O4    4   0.036684  -0.135094  -0.048009
+    1SOL     H5    5   0.002095  -0.048028  -0.067641
+    1SOL     H6    6  -0.001256  -0.157384   0.036996
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113746  -0.062611   0.042959
+    0SOL     H2    2  -0.207859  -0.045408   0.045976
+    0SOL     H3    3  -0.089492  -0.079423   0.134017
+    1SOL     O4    4   0.124489   0.063228  -0.048542
+    1SOL     H5    5   0.062728   0.121094  -0.093259
+    1SOL     H6    6   0.069803  -0.005677  -0.010809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119388   0.053676  -0.056550
+    0SOL     H2    2  -0.049023   0.055597   0.008315
+    0SOL     H3    3  -0.167558   0.135124  -0.042122
+    1SOL     O4    4   0.117712  -0.051425   0.050567
+    1SOL     H5    5   0.143303  -0.120643  -0.010395
+    1SOL     H6    6   0.105975  -0.096313   0.134290
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035268  -0.124364   0.057715
+    0SOL     H2    2  -0.088138  -0.199379   0.030513
+    0SOL     H3    3   0.047902  -0.135675   0.011702
+    1SOL     O4    4   0.027927   0.131907  -0.057436
+    1SOL     H5    5   0.086348   0.177618   0.003060
+    1SOL     H6    6   0.056971   0.040745  -0.054573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029669  -0.048406   0.125639
+    0SOL     H2    2   0.124341  -0.041534   0.137983
+    0SOL     H3    3  -0.000345  -0.101593   0.199345
+    1SOL     O4    4  -0.035327   0.057578  -0.132372
+    1SOL     H5    5  -0.039347  -0.022045  -0.185346
+    1SOL     H6    6   0.003672   0.029405  -0.049621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056765  -0.069007   0.117997
+    0SOL     H2    2  -0.008627  -0.057657   0.199949
+    0SOL     H3    3  -0.003495  -0.023987   0.052439
+    1SOL     O4    4   0.044884   0.066930  -0.116142
+    1SOL     H5    5   0.072970  -0.012933  -0.160813
+    1SOL     H6    6   0.121202   0.124587  -0.119813
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013983   0.103120   0.095377
+    0SOL     H2    2  -0.008354   0.188117   0.051717
+    0SOL     H3    3  -0.094017   0.108237   0.147634
+    1SOL     O4    4   0.013424  -0.107957  -0.100948
+    1SOL     H5    5   0.097004  -0.154488  -0.097563
+    1SOL     H6    6   0.009511  -0.059614  -0.018425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032550   0.026304   0.136442
+    0SOL     H2    2  -0.102859  -0.032430   0.164176
+    0SOL     H3    3  -0.073933   0.112454   0.131147
+    1SOL     O4    4   0.034000  -0.030510  -0.140314
+    1SOL     H5    5   0.116549  -0.017233  -0.186916
+    1SOL     H6    6   0.048336   0.009074  -0.054349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.053462  -0.128364   0.041396
+    0SOL     H2    2  -0.120838  -0.176907   0.089002
+    0SOL     H3    3  -0.077680  -0.036438   0.052602
+    1SOL     O4    4   0.059596   0.127585  -0.038853
+    1SOL     H5    5   0.066595   0.040174  -0.077227
+    1SOL     H6    6   0.039900   0.184836  -0.112994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017595   0.099580   0.113804
+    0SOL     H2    2   0.048842   0.051606   0.037094
+    0SOL     H3    3  -0.068565   0.062105   0.132091
+    1SOL     O4    4  -0.019085  -0.089270  -0.107569
+    1SOL     H5    5  -0.037142  -0.183054  -0.101178
+    1SOL     H6    6   0.063017  -0.083917  -0.156486
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008235  -0.034289  -0.136607
+    0SOL     H2    2   0.032119   0.040142  -0.191850
+    0SOL     H3    3   0.044561  -0.110405  -0.181873
+    1SOL     O4    4  -0.014558   0.033849   0.147572
+    1SOL     H5    5  -0.021855  -0.027235   0.074238
+    1SOL     H6    6   0.048185   0.099717   0.117789
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123648   0.076907  -0.015241
+    0SOL     H2    2   0.168092   0.147376   0.031888
+    0SOL     H3    3   0.040565   0.115378  -0.043158
+    1SOL     O4    4  -0.125092  -0.079999   0.008621
+    1SOL     H5    5  -0.054950  -0.144757   0.001643
+    1SOL     H6    6  -0.134369  -0.064708   0.102655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089747  -0.116480  -0.008566
+    0SOL     H2    2  -0.033487  -0.123688  -0.085671
+    0SOL     H3    3  -0.059281  -0.185843   0.049940
+    1SOL     O4    4   0.087593   0.125721   0.013115
+    1SOL     H5    5   0.115905   0.085882  -0.069186
+    1SOL     H6    6   0.003618   0.083994   0.032337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094344  -0.088401   0.074323
+    0SOL     H2    2  -0.132356  -0.012650   0.029834
+    0SOL     H3    3  -0.114757  -0.162487   0.017253
+    1SOL     O4    4   0.098883   0.094032  -0.073073
+    1SOL     H5    5   0.160782   0.031201  -0.035882
+    1SOL     H6    6   0.013817   0.067467  -0.038138
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009673   0.143310  -0.025129
+    0SOL     H2    2  -0.025587   0.202927   0.040937
+    0SOL     H3    3   0.086876   0.188370  -0.059358
+    1SOL     O4    4  -0.013229  -0.154610   0.019872
+    1SOL     H5    5   0.012046  -0.146599   0.111847
+    1SOL     H6    6  -0.020016  -0.064295  -0.011105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003145  -0.132293  -0.083567
+    0SOL     H2    2  -0.088126  -0.107405  -0.047220
+    0SOL     H3    3   0.047713  -0.161446  -0.007897
+    1SOL     O4    4  -0.000427   0.131666   0.079797
+    1SOL     H5    5   0.084834   0.094937   0.103117
+    1SOL     H6    6   0.016476   0.183496   0.001119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063364  -0.042090  -0.138700
+    0SOL     H2    2  -0.019842  -0.055936  -0.183947
+    0SOL     H3    3   0.040330  -0.041368  -0.045795
+    1SOL     O4    4  -0.050922   0.042807   0.134334
+    1SOL     H5    5  -0.098675  -0.023634   0.184008
+    1SOL     H6    6  -0.116614   0.109389   0.113995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010130  -0.076319  -0.137113
+    0SOL     H2    2   0.033384  -0.016320  -0.207977
+    0SOL     H3    3  -0.014165  -0.019163  -0.064276
+    1SOL     O4    4  -0.007753   0.064944   0.131939
+    1SOL     H5    5   0.034849   0.144594   0.163612
+    1SOL     H6    6  -0.090103   0.060816   0.180558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133438   0.066224   0.004241
+    0SOL     H2    2   0.178331  -0.015789  -0.016270
+    0SOL     H3    3   0.196020   0.115130   0.057664
+    1SOL     O4    4  -0.143675  -0.063280  -0.000941
+    1SOL     H5    5  -0.168817  -0.096871  -0.086975
+    1SOL     H6    6  -0.049755  -0.046333  -0.008303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052721  -0.134312  -0.070398
+    0SOL     H2    2  -0.039923  -0.124112  -0.048596
+    0SOL     H3    3   0.094924  -0.057205  -0.032505
+    1SOL     O4    4  -0.050992   0.122589   0.066940
+    1SOL     H5    5  -0.005311   0.178128   0.003765
+    1SOL     H6    6  -0.078451   0.182638   0.136238
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052864  -0.093052   0.118573
+    0SOL     H2    2   0.148266  -0.096069   0.125759
+    0SOL     H3    3   0.036441  -0.047001   0.036281
+    1SOL     O4    4  -0.059559   0.092133  -0.108528
+    1SOL     H5    5   0.009384   0.137989  -0.156552
+    1SOL     H6    6  -0.083660   0.018883  -0.165237
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040904  -0.030491  -0.142159
+    0SOL     H2    2   0.000063  -0.036841  -0.228436
+    0SOL     H3    3  -0.087714  -0.113322  -0.131664
+    1SOL     O4    4   0.045892   0.035256   0.151762
+    1SOL     H5    5   0.054389   0.017989   0.057997
+    1SOL     H6    6  -0.042559   0.070452   0.161764
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032662  -0.113576  -0.112989
+    0SOL     H2    2  -0.043992  -0.047093  -0.180916
+    0SOL     H3    3   0.003320  -0.065702  -0.038318
+    1SOL     O4    4   0.035022   0.104561   0.107064
+    1SOL     H5    5   0.012634   0.057453   0.187325
+    1SOL     H6    6  -0.007757   0.189672   0.116465
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120785   0.062164   0.078138
+    0SOL     H2    2  -0.063571   0.124110   0.123432
+    0SOL     H3    3  -0.180522   0.117248   0.027545
+    1SOL     O4    4   0.124816  -0.064884  -0.082401
+    1SOL     H5    5   0.133044  -0.155136  -0.051589
+    1SOL     H6    6   0.047455  -0.031083  -0.037289
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050947   0.090544   0.113163
+    0SOL     H2    2  -0.050380   0.045614   0.197681
+    0SOL     H3    3  -0.100834   0.170700   0.128930
+    1SOL     O4    4   0.055153  -0.096094  -0.124120
+    1SOL     H5    5  -0.005067  -0.021926  -0.118207
+    1SOL     H6    6   0.087894  -0.107595  -0.034913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022586  -0.099016  -0.128931
+    0SOL     H2    2   0.117145  -0.109317  -0.118220
+    0SOL     H3    3  -0.003644  -0.041801  -0.056814
+    1SOL     O4    4  -0.024230   0.096996   0.117976
+    1SOL     H5    5  -0.092693   0.036407   0.146329
+    1SOL     H6    6   0.001619   0.143058   0.197803
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146973  -0.050536  -0.038264
+    0SOL     H2    2  -0.151620  -0.054070  -0.133806
+    0SOL     H3    3  -0.102852  -0.131750  -0.013364
+    1SOL     O4    4   0.149239   0.058330   0.045236
+    1SOL     H5    5   0.112873  -0.027145   0.068339
+    1SOL     H6    6   0.104961   0.082018  -0.036254
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013842  -0.002089   0.168899
+    0SOL     H2    2   0.001126   0.079386   0.120294
+    0SOL     H3    3  -0.018982  -0.070333   0.110353
+    1SOL     O4    4  -0.003876   0.002618  -0.163824
+    1SOL     H5    5  -0.043483  -0.058489  -0.101699
+    1SOL     H6    6  -0.078259   0.046959  -0.204609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149846  -0.061521   0.030131
+    0SOL     H2    2   0.077986  -0.124710   0.032502
+    0SOL     H3    3   0.175189  -0.057448  -0.062084
+    1SOL     O4    4  -0.152344   0.066462  -0.029114
+    1SOL     H5    5  -0.060037   0.081769  -0.049296
+    1SOL     H6    6  -0.151635   0.027231   0.058195
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.160719   0.003601   0.041460
+    0SOL     H2    2   0.070621   0.027427   0.019620
+    0SOL     H3    3   0.186392   0.066275   0.109100
+    1SOL     O4    4  -0.153467  -0.014068  -0.040080
+    1SOL     H5    5  -0.211971   0.053990  -0.006799
+    1SOL     H6    6  -0.149347   0.001833  -0.134380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066336   0.143484   0.047157
+    0SOL     H2    2  -0.148746   0.148705  -0.001253
+    0SOL     H3    3  -0.081538   0.075883   0.113197
+    1SOL     O4    4   0.073376  -0.139254  -0.055135
+    1SOL     H5    5   0.013877  -0.199694  -0.010759
+    1SOL     H6    6   0.111756  -0.087212   0.015440
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100610  -0.121902   0.033926
+    0SOL     H2    2  -0.042601  -0.191439   0.064940
+    0SOL     H3    3  -0.188158  -0.150060   0.060476
+    1SOL     O4    4   0.100702   0.132835  -0.039779
+    1SOL     H5    5   0.085505   0.044441  -0.073214
+    1SOL     H6    6   0.149915   0.119708   0.041265
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041927  -0.161708  -0.056766
+    0SOL     H2    2   0.060665  -0.080130  -0.103201
+    0SOL     H3    3   0.031606  -0.135434   0.034698
+    1SOL     O4    4  -0.044685   0.149112   0.054135
+    1SOL     H5    5  -0.086851   0.227915   0.019866
+    1SOL     H6    6   0.038501   0.180060   0.089979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134516   0.001302  -0.097000
+    0SOL     H2    2  -0.181188  -0.040810  -0.169185
+    0SOL     H3    3  -0.116446   0.089858  -0.128523
+    1SOL     O4    4   0.139566   0.001667   0.103131
+    1SOL     H5    5   0.137953  -0.064099   0.033600
+    1SOL     H6    6   0.080841  -0.032987   0.170308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087075   0.141378  -0.067317
+    0SOL     H2    2  -0.004236   0.102782  -0.038848
+    0SOL     H3    3  -0.154011   0.092695  -0.019235
+    1SOL     O4    4   0.087825  -0.130582   0.062247
+    1SOL     H5    5   0.000627  -0.161992   0.086169
+    1SOL     H6    6   0.140648  -0.210026   0.054453
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077703   0.143676   0.060937
+    0SOL     H2    2  -0.082530   0.177557   0.150330
+    0SOL     H3    3   0.009611   0.104963   0.054627
+    1SOL     O4    4   0.075646  -0.146551  -0.070444
+    1SOL     H5    5   0.117553  -0.091324  -0.004443
+    1SOL     H6    6  -0.017550  -0.143214  -0.048866
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018354  -0.107414  -0.139616
+    0SOL     H2    2  -0.088490  -0.172458  -0.143163
+    0SOL     H3    3  -0.050974  -0.040185  -0.079795
+    1SOL     O4    4   0.019670   0.104765   0.132399
+    1SOL     H5    5   0.114900   0.097536   0.138817
+    1SOL     H6    6  -0.005433   0.158531   0.207508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.096248   0.152150  -0.023855
+    0SOL     H2    2   0.165498   0.122626  -0.082975
+    0SOL     H3    3   0.019049   0.160855  -0.079773
+    1SOL     O4    4  -0.102620  -0.150657   0.028153
+    1SOL     H5    5  -0.064455  -0.184346   0.109214
+    1SOL     H6    6  -0.027494  -0.121091  -0.023269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.159169   0.020000   0.082446
+    0SOL     H2    2   0.080229  -0.015681   0.123160
+    0SOL     H3    3   0.230222  -0.034814   0.115750
+    1SOL     O4    4  -0.151986  -0.017466  -0.084254
+    1SOL     H5    5  -0.207170   0.048311  -0.041942
+    1SOL     H6    6  -0.202495  -0.045721  -0.160496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.171431   0.041218  -0.061867
+    0SOL     H2    2  -0.134599   0.123335  -0.094462
+    0SOL     H3    3  -0.095451  -0.009464  -0.033217
+    1SOL     O4    4   0.169706  -0.039279   0.060193
+    1SOL     H5    5   0.120926  -0.032872   0.142301
+    1SOL     H6    6   0.134794  -0.117560   0.017584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098477  -0.150724  -0.057955
+    0SOL     H2    2  -0.044387  -0.221738  -0.092502
+    0SOL     H3    3  -0.120824  -0.098062  -0.134699
+    1SOL     O4    4   0.099076   0.147809   0.060461
+    1SOL     H5    5   0.124745   0.172614   0.149276
+    1SOL     H6    6   0.023540   0.203266   0.040939
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.145821  -0.107045  -0.037101
+    0SOL     H2    2  -0.170443  -0.187219  -0.083234
+    0SOL     H3    3  -0.214743  -0.094792   0.028183
+    1SOL     O4    4   0.150251   0.104159   0.037063
+    1SOL     H5    5   0.197755   0.165570   0.093049
+    1SOL     H6    6   0.121068   0.157030  -0.037201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.169956   0.072057  -0.056906
+    0SOL     H2    2   0.225892   0.120686  -0.117476
+    0SOL     H3    3   0.111452   0.021658  -0.113471
+    1SOL     O4    4  -0.168745  -0.066166   0.059479
+    1SOL     H5    5  -0.132919  -0.151502   0.035054
+    1SOL     H6    6  -0.224535  -0.084318   0.135112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063039  -0.175228  -0.059280
+    0SOL     H2    2   0.032634  -0.201590   0.027571
+    0SOL     H3    3  -0.005836  -0.204794  -0.118815
+    1SOL     O4    4  -0.051785   0.177926   0.056999
+    1SOL     H5    5  -0.106887   0.244259   0.098543
+    1SOL     H6    6  -0.113076   0.109994   0.028877
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097445   0.140103   0.118503
+    0SOL     H2    2  -0.049983   0.193892   0.055128
+    0SOL     H3    3  -0.112882   0.057345   0.072949
+    1SOL     O4    4   0.088890  -0.135892  -0.112564
+    1SOL     H5    5   0.133049  -0.197828  -0.170669
+    1SOL     H6    6   0.154936  -0.113091  -0.047139
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021899  -0.142724  -0.147682
+    0SOL     H2    2  -0.034755  -0.133523  -0.053277
+    0SOL     H3    3   0.073105  -0.141017  -0.159244
+    1SOL     O4    4   0.015071   0.141092   0.137453
+    1SOL     H5    5   0.003358   0.090393   0.217795
+    1SOL     H6    6   0.073596   0.212574   0.162502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119850  -0.154445   0.064430
+    0SOL     H2    2   0.087416  -0.066846   0.043532
+    0SOL     H3    3   0.182540  -0.140524   0.135412
+    1SOL     O4    4  -0.122555   0.141726  -0.064695
+    1SOL     H5    5  -0.178942   0.218368  -0.054260
+    1SOL     H6    6  -0.049226   0.172924  -0.117722
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000777  -0.170708   0.113045
+    0SOL     H2    2   0.004992  -0.113687   0.189710
+    0SOL     H3    3   0.010642  -0.259097   0.147963
+    1SOL     O4    4   0.002784   0.173246  -0.126420
+    1SOL     H5    5   0.045536   0.147537  -0.044728
+    1SOL     H6    6  -0.089138   0.185348  -0.102626
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.188306  -0.066375   0.078969
+    0SOL     H2    2  -0.227349  -0.153228   0.069249
+    0SOL     H3    3  -0.204074  -0.023428  -0.005110
+    1SOL     O4    4   0.190047   0.074720  -0.076640
+    1SOL     H5    5   0.126685   0.009764  -0.046170
+    1SOL     H6    6   0.275267   0.037896  -0.053319
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070382   0.208371  -0.025855
+    0SOL     H2    2   0.011211   0.185041  -0.097387
+    0SOL     H3    3   0.014705   0.253495   0.037598
+    1SOL     O4    4  -0.064294  -0.203517   0.023064
+    1SOL     H5    5  -0.029237  -0.226842   0.109025
+    1SOL     H6    6  -0.099035  -0.285627  -0.011771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058218   0.211536  -0.072308
+    0SOL     H2    2   0.100339   0.137766  -0.116422
+    0SOL     H3    3   0.062777   0.189625   0.020759
+    1SOL     O4    4  -0.056330  -0.204401   0.073724
+    1SOL     H5    5  -0.132009  -0.149331   0.053666
+    1SOL     H6    6  -0.066338  -0.280634   0.016710
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141727  -0.175781  -0.005273
+    0SOL     H2    2  -0.157828  -0.244167  -0.070284
+    0SOL     H3    3  -0.096736  -0.220768   0.066241
+    1SOL     O4    4   0.142071   0.182377  -0.000952
+    1SOL     H5    5   0.080896   0.245045   0.037682
+    1SOL     H6    6   0.164935   0.123633   0.071081
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075493  -0.178735   0.121564
+    0SOL     H2    2   0.024512  -0.231144   0.059785
+    0SOL     H3    3   0.153073  -0.231779   0.139727
+    1SOL     O4    4  -0.080806   0.180392  -0.121878
+    1SOL     H5    5  -0.087544   0.213239  -0.032223
+    1SOL     H6    6  -0.011081   0.232706  -0.161427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126443  -0.115971   0.166890
+    0SOL     H2    2  -0.183938  -0.192014   0.175501
+    0SOL     H3    3  -0.153966  -0.074194   0.085284
+    1SOL     O4    4   0.127554   0.122628  -0.160359
+    1SOL     H5    5   0.137361   0.092241  -0.250596
+    1SOL     H6    6   0.189022   0.069082  -0.110190
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063324  -0.202043   0.114794
+    0SOL     H2    2  -0.037982  -0.292720   0.132046
+    0SOL     H3    3  -0.044890  -0.155983   0.196654
+    1SOL     O4    4   0.059594   0.197935  -0.121923
+    1SOL     H5    5   0.144371   0.238136  -0.102976
+    1SOL     H6    6  -0.003057   0.270048  -0.115841
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030917  -0.246601   0.016920
+    0SOL     H2    2  -0.013580  -0.152977   0.007110
+    0SOL     H3    3   0.016547  -0.287507  -0.055442
+    1SOL     O4    4   0.022418   0.247344  -0.010357
+    1SOL     H5    5   0.067326   0.252117  -0.094754
+    1SOL     H6    6   0.068158   0.178057   0.037281
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046067  -0.081300  -0.244865
+    0SOL     H2    2  -0.131452  -0.041896  -0.262727
+    0SOL     H3    3  -0.066421  -0.169147  -0.212754
+    1SOL     O4    4   0.052367   0.077673   0.246684
+    1SOL     H5    5   0.048345   0.099045   0.153467
+    1SOL     H6    6   0.036830   0.161024   0.291107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123844  -0.034581  -0.233660
+    0SOL     H2    2   0.205542   0.015103  -0.238049
+    0SOL     H3    3   0.121303  -0.068741  -0.144279
+    1SOL     O4    4  -0.128219   0.034085   0.222669
+    1SOL     H5    5  -0.179370   0.087334   0.283582
+    1SOL     H6    6  -0.080876  -0.027526   0.278571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023276  -0.151846  -0.261889
+    0SOL     H2    2  -0.012273  -0.110980  -0.176032
+    0SOL     H3    3  -0.088000  -0.097139  -0.306389
+    1SOL     O4    4   0.022081   0.149769   0.262540
+    1SOL     H5    5  -0.000274   0.081538   0.199238
+    1SOL     H6    6   0.117783   0.151465   0.263205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084541  -0.205526  -0.204644
+    0SOL     H2    2   0.042857  -0.221431  -0.289330
+    0SOL     H3    3   0.135677  -0.284674  -0.187824
+    1SOL     O4    4  -0.087836   0.217017   0.210472
+    1SOL     H5    5  -0.135835   0.139657   0.180910
+    1SOL     H6    6   0.004249   0.191269   0.206040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.167132   0.140823  -0.210915
+    0SOL     H2    2  -0.193416   0.178272  -0.294992
+    0SOL     H3    3  -0.241702   0.087073  -0.184222
+    1SOL     O4    4   0.177976  -0.137593   0.211644
+    1SOL     H5    5   0.094105  -0.094204   0.227306
+    1SOL     H6    6   0.167679  -0.224465   0.250496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.204342  -0.012409   0.225003
+    0SOL     H2    2  -0.296577  -0.037239   0.231211
+    0SOL     H3    3  -0.163709  -0.051495   0.302357
+    1SOL     O4    4   0.209398   0.022155  -0.229068
+    1SOL     H5    5   0.238247  -0.045577  -0.290243
+    1SOL     H6    6   0.137131  -0.018162  -0.180960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011947  -0.080431  -0.303431
+    0SOL     H2    2   0.038151  -0.015170  -0.254507
+    0SOL     H3    3   0.045055  -0.104683  -0.376403
+    1SOL     O4    4   0.003595   0.076083   0.299686
+    1SOL     H5    5   0.043265   0.020802   0.367010
+    1SOL     H6    6   0.021709   0.165585   0.328383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043372  -0.212272  -0.320780
+    0SOL     H2    2  -0.023363  -0.247365  -0.234002
+    0SOL     H3    3  -0.129061  -0.170815  -0.310728
+    1SOL     O4    4   0.052301   0.208730   0.312138
+    1SOL     H5    5  -0.027891   0.167404   0.344134
+    1SOL     H6    6   0.041723   0.301422   0.333551
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006792  -0.178777  -0.366120
+    0SOL     H2    2  -0.086821  -0.165669  -0.381191
+    0SOL     H3    3   0.016982  -0.172100  -0.271179
+    1SOL     O4    4  -0.007890   0.178511   0.364819
+    1SOL     H5    5   0.014294   0.192668   0.272788
+    1SOL     H6    6   0.073695   0.148405   0.404815
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135688  -0.298676   0.314257
+    0SOL     H2    2   0.199417  -0.367513   0.295217
+    0SOL     H3    3   0.094936  -0.325786   0.396516
+    1SOL     O4    4  -0.135711   0.297053  -0.319095
+    1SOL     H5    5  -0.176814   0.339521  -0.243800
+    1SOL     H6    6  -0.112051   0.369201  -0.377380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.318234   0.206484   0.261027
+    0SOL     H2    2  -0.359417   0.145167   0.321909
+    0SOL     H3    3  -0.236269   0.231331   0.303765
+    1SOL     O4    4   0.321980  -0.202268  -0.267386
+    1SOL     H5    5   0.295061  -0.294107  -0.265579
+    1SOL     H6    6   0.239807  -0.153179  -0.267848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097995  -0.462353   0.067604
+    0SOL     H2    2  -0.056189  -0.516868   0.000951
+    0SOL     H3    3  -0.039108  -0.387589   0.077853
+    1SOL     O4    4   0.098927   0.461172  -0.065125
+    1SOL     H5    5   0.046259   0.454401   0.014515
+    1SOL     H6    6   0.034876   0.472313  -0.135380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.205877  -0.150855  -0.405891
+    0SOL     H2    2  -0.249415  -0.126996  -0.324053
+    0SOL     H3    3  -0.196058  -0.068042  -0.452880
+    1SOL     O4    4   0.209256   0.141384   0.399030
+    1SOL     H5    5   0.148166   0.117414   0.468713
+    1SOL     H6    6   0.243709   0.226645   0.425598
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.284000   0.039170  -0.411637
+    0SOL     H2    2  -0.375583   0.015332  -0.397267
+    0SOL     H3    3  -0.240965  -0.043331  -0.434087
+    1SOL     O4    4   0.284497  -0.036374   0.405804
+    1SOL     H5    5   0.354109   0.028395   0.416826
+    1SOL     H6    6   0.246588  -0.045965   0.493172
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.355831  -0.359802  -0.134649
+    0SOL     H2    2   0.390034  -0.437811  -0.090978
+    0SOL     H3    3   0.420804  -0.339549  -0.201959
+    1SOL     O4    4  -0.363964   0.362540   0.142209
+    1SOL     H5    5  -0.328292   0.294596   0.084995
+    1SOL     H6    6  -0.358891   0.442768   0.090248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.488503   0.175631  -0.136002
+    0SOL     H2    2   0.502917   0.134816  -0.221376
+    0SOL     H3    3   0.458552   0.104063  -0.079937
+    1SOL     O4    4  -0.493082  -0.166958   0.140870
+    1SOL     H5    5  -0.488777  -0.213316   0.057236
+    1SOL     H6    6  -0.402844  -0.166620   0.172795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104689  -0.566065   0.246413
+    0SOL     H2    2   0.088836  -0.645043   0.298118
+    0SOL     H3    3   0.197522  -0.570595   0.223529
+    1SOL     O4    4  -0.108021   0.576922  -0.251194
+    1SOL     H5    5  -0.140008   0.495954  -0.290986
+    1SOL     H6    6  -0.099528   0.556201  -0.158131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.577387  -0.148493  -0.415783
+    0SOL     H2    2   0.564937  -0.054064  -0.406266
+    0SOL     H3    3   0.553901  -0.184534  -0.330274
+    1SOL     O4    4  -0.572901   0.140192   0.413522
+    1SOL     H5    5  -0.627787   0.152983   0.336151
+    1SOL     H6    6  -0.567385   0.226925   0.453638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.709166  -0.258583   0.011426
+    0SOL     H2    2  -0.682249  -0.237898  -0.078072
+    0SOL     H3    3  -0.802755  -0.277464   0.004582
+    1SOL     O4    4   0.719082   0.257989  -0.003373
+    1SOL     H5    5   0.637931   0.222816   0.033229
+    1SOL     H6    6   0.692090   0.301308  -0.084350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.458610  -0.650408  -0.055430
+    0SOL     H2    2   0.481395  -0.641671  -0.147987
+    0SOL     H3    3   0.428299  -0.740772  -0.046603
+    1SOL     O4    4  -0.463704   0.652632   0.058268
+    1SOL     H5    5  -0.386634   0.678597   0.007787
+    1SOL     H6    6  -0.442359   0.676289   0.148529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/460K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.173876  -0.637619  -0.638473
+    0SOL     H2    2   0.159309  -0.623824  -0.732067
+    0SOL     H3    3   0.245689  -0.700776  -0.634416
+    1SOL     O4    4  -0.182552   0.642109   0.640994
+    1SOL     H5    5  -0.115104   0.696851   0.681200
+    1SOL     H6    6  -0.147196   0.553272   0.645503
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076059  -0.109476   0.014923
+    0SOL     H2    2   0.027703  -0.027081   0.020850
+    0SOL     H3    3   0.010026  -0.177173   0.029723
+    1SOL     O4    4  -0.064720   0.104886  -0.013055
+    1SOL     H5    5  -0.072692   0.200160  -0.017698
+    1SOL     H6    6  -0.141670   0.072069  -0.059574
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014953  -0.107990  -0.071558
+    0SOL     H2    2   0.052878  -0.164892  -0.035179
+    0SOL     H3    3   0.031348  -0.052623  -0.134432
+    1SOL     O4    4   0.002716   0.112043   0.075484
+    1SOL     H5    5  -0.000746   0.020804   0.046749
+    1SOL     H6    6   0.095278   0.135642   0.069346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118746   0.022108   0.031886
+    0SOL     H2    2  -0.196941  -0.019880   0.067732
+    0SOL     H3    3  -0.128921   0.114673   0.054034
+    1SOL     O4    4   0.127609  -0.023200  -0.039215
+    1SOL     H5    5   0.042543   0.014295  -0.016407
+    1SOL     H6    6   0.135886  -0.100041   0.017258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055751  -0.071807   0.086935
+    0SOL     H2    2  -0.127397  -0.082486   0.149506
+    0SOL     H3    3  -0.027600  -0.161142   0.067209
+    1SOL     O4    4   0.057890   0.079412  -0.096709
+    1SOL     H5    5   0.004491   0.021898  -0.041909
+    1SOL     H6    6   0.122295   0.116834  -0.036594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003535  -0.120276  -0.058765
+    0SOL     H2    2  -0.062184  -0.152184  -0.127354
+    0SOL     H3    3   0.064048  -0.071445  -0.105780
+    1SOL     O4    4   0.005409   0.125101   0.062096
+    1SOL     H5    5  -0.021564   0.115271   0.153409
+    1SOL     H6    6  -0.006342   0.038037   0.024095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005124  -0.124420  -0.061889
+    0SOL     H2    2   0.065301  -0.144707  -0.123461
+    0SOL     H3    3  -0.004688  -0.028911  -0.055551
+    1SOL     O4    4   0.003260   0.116894   0.059638
+    1SOL     H5    5  -0.066915   0.181038   0.070737
+    1SOL     H6    6   0.034920   0.100351   0.148443
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000106   0.091713  -0.091047
+    0SOL     H2    2   0.072878   0.116333  -0.148147
+    0SOL     H3    3  -0.070306   0.152170  -0.114487
+    1SOL     O4    4  -0.002397  -0.096105   0.102027
+    1SOL     H5    5   0.034765  -0.032461   0.040947
+    1SOL     H6    6  -0.001452  -0.178878   0.053964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103112   0.066710   0.061306
+    0SOL     H2    2  -0.035703   0.133998   0.051789
+    0SOL     H3    3  -0.089745   0.031635   0.149360
+    1SOL     O4    4   0.100523  -0.069265  -0.072161
+    1SOL     H5    5   0.016101  -0.031423  -0.047600
+    1SOL     H6    6   0.141100  -0.093473   0.011084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125757   0.025573   0.031211
+    0SOL     H2    2   0.203440  -0.016417   0.068149
+    0SOL     H3    3   0.159711   0.081968  -0.038280
+    1SOL     O4    4  -0.138648  -0.024644  -0.025246
+    1SOL     H5    5  -0.046116  -0.018625  -0.001496
+    1SOL     H6    6  -0.138491  -0.063454  -0.112745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053841  -0.111040  -0.051886
+    0SOL     H2    2   0.050574  -0.178083   0.016356
+    0SOL     H3    3   0.024770  -0.156078  -0.131187
+    1SOL     O4    4  -0.048944   0.123123   0.053802
+    1SOL     H5    5  -0.135051   0.093340   0.083146
+    1SOL     H6    6  -0.014880   0.050419   0.001686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027218   0.015076  -0.137800
+    0SOL     H2    2   0.113988   0.045678  -0.164199
+    0SOL     H3    3   0.038548  -0.014072  -0.047332
+    1SOL     O4    4  -0.026440  -0.016405   0.131390
+    1SOL     H5    5  -0.084714  -0.080683   0.171821
+    1SOL     H6    6  -0.068094   0.068012   0.148745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025836  -0.086879  -0.104006
+    0SOL     H2    2  -0.038411  -0.033625  -0.182543
+    0SOL     H3    3   0.065962  -0.113748  -0.107673
+    1SOL     O4    4   0.025604   0.085647   0.114210
+    1SOL     H5    5   0.012216   0.015545   0.050423
+    1SOL     H6    6  -0.038246   0.152700   0.089934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016806   0.126365  -0.073347
+    0SOL     H2    2  -0.021013   0.088470   0.006000
+    0SOL     H3    3   0.065724   0.054455  -0.113326
+    1SOL     O4    4  -0.018404  -0.117440   0.064966
+    1SOL     H5    5   0.045990  -0.184348   0.088182
+    1SOL     H6    6  -0.061652  -0.096045   0.147636
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023098  -0.027864  -0.131170
+    0SOL     H2    2  -0.101575   0.018103  -0.161015
+    0SOL     H3    3   0.045785   0.000841  -0.191115
+    1SOL     O4    4   0.029571   0.022241   0.139302
+    1SOL     H5    5   0.006146  -0.006039   0.050906
+    1SOL     H6    6  -0.047787   0.068968   0.170840
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008319  -0.007158   0.135845
+    0SOL     H2    2   0.031026  -0.100051   0.140043
+    0SOL     H3    3   0.044062   0.029954   0.216514
+    1SOL     O4    4  -0.013804   0.016507  -0.142890
+    1SOL     H5    5   0.000392  -0.010169  -0.052065
+    1SOL     H6    6   0.007221  -0.061415  -0.194354
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037675  -0.022550  -0.139979
+    0SOL     H2    2  -0.004842  -0.005222  -0.051751
+    0SOL     H3    3  -0.132947  -0.020511  -0.130961
+    1SOL     O4    4   0.039008   0.022044   0.128706
+    1SOL     H5    5   0.066242  -0.058142   0.173325
+    1SOL     H6    6   0.058241   0.091980   0.191167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102922  -0.103885   0.021100
+    0SOL     H2    2  -0.067087  -0.015142   0.022800
+    0SOL     H3    3  -0.159862  -0.105304  -0.055830
+    1SOL     O4    4   0.101358   0.098858  -0.022929
+    1SOL     H5    5   0.099919   0.170941   0.040034
+    1SOL     H6    6   0.150429   0.029483   0.021133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.045941   0.081846   0.103074
+    0SOL     H2    2  -0.068234   0.174049   0.115875
+    0SOL     H3    3  -0.068190   0.040006   0.186241
+    1SOL     O4    4   0.046933  -0.089602  -0.112651
+    1SOL     H5    5   0.132075  -0.061117  -0.079461
+    1SOL     H6    6  -0.016131  -0.031824  -0.069674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009185  -0.021318   0.140907
+    0SOL     H2    2   0.104549  -0.026495   0.134476
+    0SOL     H3    3  -0.006831   0.025840   0.222649
+    1SOL     O4    4  -0.017590   0.024329  -0.146985
+    1SOL     H5    5   0.016368  -0.047957  -0.199747
+    1SOL     H6    6   0.015844   0.007508  -0.058885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018721  -0.087234  -0.112257
+    0SOL     H2    2  -0.035516  -0.135920  -0.174308
+    0SOL     H3    3   0.043356  -0.007577  -0.159270
+    1SOL     O4    4  -0.015459   0.092721   0.120931
+    1SOL     H5    5  -0.018708   0.060255   0.030944
+    1SOL     H6    6  -0.034773   0.016013   0.174831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072140  -0.118414   0.034411
+    0SOL     H2    2  -0.031815  -0.176334  -0.030252
+    0SOL     H3    3  -0.150229  -0.165543   0.063452
+    1SOL     O4    4   0.078802   0.121025  -0.035600
+    1SOL     H5    5   0.046475   0.210964  -0.040912
+    1SOL     H6    6   0.020361   0.078172   0.026935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035577  -0.036145  -0.139953
+    0SOL     H2    2  -0.120931  -0.042319  -0.182835
+    0SOL     H3    3  -0.055579  -0.037631  -0.046358
+    1SOL     O4    4   0.044726   0.034811   0.130807
+    1SOL     H5    5   0.031464  -0.015355   0.211242
+    1SOL     H6    6   0.003701   0.119505   0.148307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139817  -0.057398   0.018042
+    0SOL     H2    2  -0.184816   0.019956   0.052009
+    0SOL     H3    3  -0.057757  -0.023607  -0.017828
+    1SOL     O4    4   0.141812   0.050200  -0.023855
+    1SOL     H5    5   0.100400  -0.006521   0.041184
+    1SOL     H6    6   0.123184   0.139061   0.006459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028697   0.045460  -0.144495
+    0SOL     H2    2  -0.020518  -0.023265  -0.078372
+    0SOL     H3    3   0.025954   0.116897  -0.111747
+    1SOL     O4    4   0.022527  -0.040394   0.138472
+    1SOL     H5    5  -0.012356  -0.127287   0.158346
+    1SOL     H6    6   0.117497  -0.052314   0.137459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001166   0.127378   0.061995
+    0SOL     H2    2   0.020835   0.171403   0.144682
+    0SOL     H3    3  -0.025575   0.197883   0.003035
+    1SOL     O4    4   0.002365  -0.141344  -0.062691
+    1SOL     H5    5   0.028098  -0.057048  -0.025350
+    1SOL     H6    6  -0.074307  -0.121393  -0.116410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011486   0.003237   0.153442
+    0SOL     H2    2  -0.016504   0.006852   0.057923
+    0SOL     H3    3   0.060576  -0.057146   0.171421
+    1SOL     O4    4   0.005794  -0.000475  -0.142955
+    1SOL     H5    5   0.061067   0.066118  -0.183852
+    1SOL     H6    6  -0.019208  -0.058418  -0.214926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071410   0.122565   0.057910
+    0SOL     H2    2  -0.006187   0.181094   0.096415
+    0SOL     H3    3  -0.020118   0.051602   0.019235
+    1SOL     O4    4   0.061932  -0.116413  -0.060583
+    1SOL     H5    5   0.107117  -0.125108   0.023353
+    1SOL     H6    6   0.069316  -0.202920  -0.100887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110199   0.093422  -0.010735
+    0SOL     H2    2  -0.173735   0.136802   0.046218
+    0SOL     H3    3  -0.115254   0.141516  -0.093341
+    1SOL     O4    4   0.119604  -0.099562   0.008757
+    1SOL     H5    5   0.076723  -0.014138   0.013877
+    1SOL     H6    6   0.062167  -0.158234   0.057961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059728  -0.089917  -0.109990
+    0SOL     H2    2  -0.018880  -0.011068  -0.074261
+    0SOL     H3    3   0.008114  -0.129361  -0.164799
+    1SOL     O4    4   0.050103   0.083961   0.106643
+    1SOL     H5    5   0.103971   0.057630   0.181256
+    1SOL     H6    6   0.048116   0.179560   0.111027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111566  -0.093159   0.023642
+    0SOL     H2    2  -0.109008  -0.151156   0.099747
+    0SOL     H3    3  -0.155915  -0.144306  -0.044029
+    1SOL     O4    4   0.116738   0.102926  -0.028465
+    1SOL     H5    5   0.035279   0.053842  -0.039302
+    1SOL     H6    6   0.147520   0.079321   0.059042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030498  -0.005469  -0.155021
+    0SOL     H2    2  -0.077658   0.071430  -0.123009
+    0SOL     H3    3  -0.043008  -0.071420  -0.086784
+    1SOL     O4    4   0.027310   0.003616   0.147108
+    1SOL     H5    5   0.093244   0.072408   0.138015
+    1SOL     H6    6   0.059273  -0.050910   0.218994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032613   0.126905  -0.090052
+    0SOL     H2    2  -0.018189   0.047210  -0.074879
+    0SOL     H3    3   0.039983   0.167477  -0.003670
+    1SOL     O4    4  -0.030220  -0.120244   0.079102
+    1SOL     H5    5   0.013664  -0.205245   0.082469
+    1SOL     H6    6  -0.073738  -0.112323   0.163988
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008756   0.131673  -0.069047
+    0SOL     H2    2  -0.040503   0.115336  -0.149476
+    0SOL     H3    3   0.013040   0.227072  -0.062487
+    1SOL     O4    4  -0.001790  -0.139823   0.076518
+    1SOL     H5    5  -0.095896  -0.155041   0.067880
+    1SOL     H6    6   0.014511  -0.060610   0.025313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072780   0.135514  -0.048471
+    0SOL     H2    2  -0.087588   0.058646   0.006614
+    0SOL     H3    3   0.006322   0.114570  -0.098135
+    1SOL     O4    4   0.065326  -0.131618   0.053830
+    1SOL     H5    5   0.072735  -0.183999  -0.025943
+    1SOL     H6    6   0.117585  -0.053402   0.036121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.148026   0.059180   0.015220
+    0SOL     H2    2  -0.052927   0.065946   0.006695
+    0SOL     H3    3  -0.174675   0.002759  -0.057367
+    1SOL     O4    4   0.145083  -0.050450  -0.008478
+    1SOL     H5    5   0.194068  -0.090640  -0.080224
+    1SOL     H6    6   0.084796  -0.118840   0.020689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011949  -0.014670  -0.149662
+    0SOL     H2    2   0.008115  -0.090781  -0.207582
+    0SOL     H3    3   0.079782   0.041090  -0.187763
+    1SOL     O4    4  -0.014269   0.020971   0.159167
+    1SOL     H5    5  -0.008713   0.021579   0.063610
+    1SOL     H6    6  -0.035824  -0.069608   0.181377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128233  -0.063750   0.082080
+    0SOL     H2    2   0.111699   0.029294   0.066858
+    0SOL     H3    3   0.067222  -0.108831   0.023705
+    1SOL     O4    4  -0.126151   0.059342  -0.084224
+    1SOL     H5    5  -0.085769  -0.003435  -0.024301
+    1SOL     H6    6  -0.125313   0.142205  -0.036315
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014513  -0.126599  -0.093770
+    0SOL     H2    2   0.003878  -0.203345  -0.149978
+    0SOL     H3    3   0.017539  -0.162140  -0.004945
+    1SOL     O4    4  -0.010982   0.135298   0.086004
+    1SOL     H5    5  -0.083751   0.073600   0.093769
+    1SOL     H6    6   0.009416   0.159830   0.176250
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014968   0.042817  -0.167675
+    0SOL     H2    2  -0.012698  -0.045264  -0.192947
+    0SOL     H3    3   0.016786   0.040872  -0.071992
+    1SOL     O4    4  -0.016239  -0.032958   0.159902
+    1SOL     H5    5  -0.038419  -0.125446   0.170687
+    1SOL     H6    6   0.059008  -0.019449   0.217502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064945   0.126717  -0.102869
+    0SOL     H2    2  -0.022894   0.145839  -0.019033
+    0SOL     H3    3  -0.003485   0.068759  -0.147878
+    1SOL     O4    4   0.055241  -0.124872   0.106241
+    1SOL     H5    5   0.087225  -0.202406   0.060112
+    1SOL     H6    6   0.095978  -0.051269   0.060573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099269  -0.070607   0.125178
+    0SOL     H2    2  -0.053335  -0.024815   0.195572
+    0SOL     H3    3  -0.149673  -0.002278   0.080986
+    1SOL     O4    4   0.105179   0.060957  -0.129326
+    1SOL     H5    5   0.084500   0.154098  -0.121617
+    1SOL     H6    6   0.030008   0.016374  -0.090287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135154  -0.105779  -0.009364
+    0SOL     H2    2  -0.196793  -0.062228  -0.068239
+    0SOL     H3    3  -0.091999  -0.171406  -0.064073
+    1SOL     O4    4   0.134820   0.113081   0.013217
+    1SOL     H5    5   0.219351   0.084317   0.047705
+    1SOL     H6    6   0.075555   0.040037   0.030950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030375   0.038992  -0.174457
+    0SOL     H2    2  -0.054056   0.001268  -0.149746
+    0SOL     H3    3   0.095012  -0.024326  -0.143228
+    1SOL     O4    4  -0.029917  -0.038761   0.172780
+    1SOL     H5    5   0.021478   0.029297   0.216242
+    1SOL     H6    6  -0.068063   0.004922   0.096630
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044917   0.167795   0.061815
+    0SOL     H2    2  -0.036354   0.152430   0.013635
+    0SOL     H3    3   0.094439   0.086484   0.051890
+    1SOL     O4    4  -0.036503  -0.158373  -0.056713
+    1SOL     H5    5  -0.086528  -0.215715   0.001354
+    1SOL     H6    6  -0.088721  -0.153868  -0.136810
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007035  -0.003374  -0.177465
+    0SOL     H2    2   0.054331  -0.058089  -0.226486
+    0SOL     H3    3  -0.092875  -0.041898  -0.195063
+    1SOL     O4    4   0.014362   0.011020   0.185381
+    1SOL     H5    5   0.006046  -0.071132   0.136964
+    1SOL     H6    6  -0.067394   0.057605   0.167826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024942  -0.140728  -0.119307
+    0SOL     H2    2   0.041605  -0.110586  -0.181156
+    0SOL     H3    3   0.002869  -0.105158  -0.034906
+    1SOL     O4    4   0.020382   0.144466   0.116437
+    1SOL     H5    5   0.089938   0.079422   0.106767
+    1SOL     H6    6  -0.054493   0.094807   0.149451
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161913   0.066285   0.051302
+    0SOL     H2    2  -0.098538   0.134605   0.073173
+    0SOL     H3    3  -0.203563   0.097067  -0.029197
+    1SOL     O4    4   0.165858  -0.073884  -0.045081
+    1SOL     H5    5   0.086716  -0.039094  -0.003988
+    1SOL     H6    6   0.147448  -0.070898  -0.138967
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.176947   0.007375   0.021692
+    0SOL     H2    2   0.153978   0.055446   0.101215
+    0SOL     H3    3   0.269176  -0.015482   0.033261
+    1SOL     O4    4  -0.179348  -0.016131  -0.025975
+    1SOL     H5    5  -0.253409   0.037047   0.003169
+    1SOL     H6    6  -0.121375   0.045749  -0.070387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141545   0.050041  -0.107868
+    0SOL     H2    2  -0.236665   0.044984  -0.098431
+    0SOL     H3    3  -0.107333   0.006731  -0.029663
+    1SOL     O4    4   0.140453  -0.052607   0.104087
+    1SOL     H5    5   0.174583  -0.014406   0.023228
+    1SOL     H6    6   0.183299  -0.003150   0.173948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.142493  -0.115849  -0.022730
+    0SOL     H2    2  -0.106587  -0.085633  -0.106157
+    0SOL     H3    3  -0.169584  -0.206103  -0.039543
+    1SOL     O4    4   0.141540   0.118580   0.021203
+    1SOL     H5    5   0.152712   0.046642   0.083350
+    1SOL     H6    6   0.135627   0.196882   0.075940
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031989  -0.046130   0.180221
+    0SOL     H2    2   0.118890  -0.068889   0.213275
+    0SOL     H3    3   0.024543   0.048118   0.195195
+    1SOL     O4    4  -0.031294   0.037329  -0.181442
+    1SOL     H5    5  -0.030232   0.131102  -0.162261
+    1SOL     H6    6  -0.115676   0.022521  -0.224137
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095976  -0.106661   0.128261
+    0SOL     H2    2   0.076534  -0.024431   0.173234
+    0SOL     H3    3   0.025746  -0.165893   0.155124
+    1SOL     O4    4  -0.093507   0.105094  -0.126714
+    1SOL     H5    5  -0.013669   0.062809  -0.158340
+    1SOL     H6    6  -0.128671   0.150362  -0.203373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.178754   0.029276  -0.073750
+    0SOL     H2    2  -0.165980  -0.021067  -0.154153
+    0SOL     H3    3  -0.118972   0.103554  -0.082189
+    1SOL     O4    4   0.167846  -0.030765   0.076123
+    1SOL     H5    5   0.196557  -0.000872   0.162404
+    1SOL     H6    6   0.248195  -0.059376   0.032674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122317  -0.161528   0.004071
+    0SOL     H2    2   0.162844  -0.112585  -0.067515
+    0SOL     H3    3   0.043691  -0.111477   0.025868
+    1SOL     O4    4  -0.114998   0.150535  -0.001098
+    1SOL     H5    5  -0.116039   0.232394   0.048504
+    1SOL     H6    6  -0.197575   0.150756  -0.049507
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119821  -0.147378   0.055959
+    0SOL     H2    2   0.127089  -0.204938   0.132094
+    0SOL     H3    3   0.029850  -0.114845   0.058971
+    1SOL     O4    4  -0.116440   0.144152  -0.056896
+    1SOL     H5    5  -0.157607   0.168281  -0.139874
+    1SOL     H6    6  -0.050099   0.211636  -0.042502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040088  -0.131680   0.140263
+    0SOL     H2    2   0.037099  -0.223719   0.166383
+    0SOL     H3    3   0.096560  -0.130487   0.062985
+    1SOL     O4    4  -0.037581   0.138612  -0.139206
+    1SOL     H5    5  -0.121032   0.145114  -0.185639
+    1SOL     H6    6  -0.058627   0.091677  -0.058481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.150412   0.110330  -0.067645
+    0SOL     H2    2   0.163671   0.018986  -0.042293
+    0SOL     H3    3   0.227013   0.131827  -0.120866
+    1SOL     O4    4  -0.157700  -0.111876   0.073073
+    1SOL     H5    5  -0.105161  -0.117071  -0.006771
+    1SOL     H6    6  -0.170627  -0.018096   0.087235
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.170350   0.106191  -0.009517
+    0SOL     H2    2  -0.255672   0.074941   0.020581
+    0SOL     H3    3  -0.166539   0.080550  -0.101660
+    1SOL     O4    4   0.176389  -0.101159   0.007783
+    1SOL     H5    5   0.108090  -0.061414   0.061801
+    1SOL     H6    6   0.209444  -0.173863   0.060544
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047303  -0.193737  -0.058437
+    0SOL     H2    2  -0.047615  -0.142844  -0.139506
+    0SOL     H3    3  -0.116069  -0.154086  -0.004945
+    1SOL     O4    4   0.047031   0.192039   0.056175
+    1SOL     H5    5   0.024014   0.144843   0.136206
+    1SOL     H6    6   0.141067   0.177411   0.045890
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136337  -0.114859   0.108738
+    0SOL     H2    2  -0.151583  -0.072583   0.024224
+    0SOL     H3    3  -0.131879  -0.042541   0.171289
+    1SOL     O4    4   0.141349   0.112159  -0.111158
+    1SOL     H5    5   0.115665   0.119574  -0.019246
+    1SOL     H6    6   0.091884   0.037042  -0.143913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025632   0.043443  -0.203609
+    0SOL     H2    2  -0.069588   0.115097  -0.249390
+    0SOL     H3    3  -0.075777   0.032219  -0.122852
+    1SOL     O4    4   0.025802  -0.047157   0.198664
+    1SOL     H5    5   0.054177  -0.082032   0.283168
+    1SOL     H6    6   0.105515  -0.011564   0.159404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.202940  -0.043141  -0.066040
+    0SOL     H2    2   0.130445  -0.105644  -0.066505
+    0SOL     H3    3   0.281434  -0.097374  -0.073778
+    1SOL     O4    4  -0.197419   0.053332   0.067854
+    1SOL     H5    5  -0.217356  -0.039461   0.080268
+    1SOL     H6    6  -0.278252   0.090770   0.032829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.167286   0.139922   0.039368
+    0SOL     H2    2  -0.204259   0.226713   0.023164
+    0SOL     H3    3  -0.108654   0.152365   0.114000
+    1SOL     O4    4   0.161432  -0.148860  -0.043971
+    1SOL     H5    5   0.161724  -0.054121  -0.030305
+    1SOL     H6    6   0.252696  -0.175118  -0.031982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024124  -0.188065   0.131302
+    0SOL     H2    2  -0.040807  -0.102765   0.091203
+    0SOL     H3    3  -0.017296  -0.169622   0.224980
+    1SOL     O4    4   0.025729   0.176671  -0.129809
+    1SOL     H5    5  -0.009997   0.264110  -0.114304
+    1SOL     H6    6   0.045102   0.174935  -0.223532
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055970  -0.199246   0.121588
+    0SOL     H2    2   0.022111  -0.235760   0.079967
+    0SOL     H3    3  -0.071706  -0.255996   0.197048
+    1SOL     O4    4   0.055971   0.200106  -0.119549
+    1SOL     H5    5   0.031471   0.290405  -0.099346
+    1SOL     H6    6   0.021359   0.184952  -0.207496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052742  -0.208417   0.119755
+    0SOL     H2    2  -0.051409  -0.288910   0.171538
+    0SOL     H3    3  -0.136338  -0.211206   0.073211
+    1SOL     O4    4   0.053707   0.217227  -0.121434
+    1SOL     H5    5   0.065189   0.133951  -0.167213
+    1SOL     H6    6   0.114977   0.212902  -0.048020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.182329  -0.107682   0.168591
+    0SOL     H2    2   0.102220  -0.150099   0.137839
+    0SOL     H3    3   0.158513  -0.015464   0.178130
+    1SOL     O4    4  -0.181624   0.102985  -0.171514
+    1SOL     H5    5  -0.177217   0.165747  -0.099376
+    1SOL     H6    6  -0.094071   0.064473  -0.175199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015368  -0.281069   0.085897
+    0SOL     H2    2  -0.037855  -0.212976   0.127043
+    0SOL     H3    3   0.095257  -0.235913   0.058677
+    1SOL     O4    4  -0.022699   0.276001  -0.084496
+    1SOL     H5    5   0.012649   0.327427  -0.157078
+    1SOL     H6    6   0.051583   0.224325  -0.053285
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.160178  -0.056955   0.255937
+    0SOL     H2    2  -0.099847  -0.063773   0.181937
+    0SOL     H3    3  -0.112337  -0.005928   0.321281
+    1SOL     O4    4   0.155747   0.051875  -0.250062
+    1SOL     H5    5   0.135036   0.007134  -0.332109
+    1SOL     H6    6   0.144600   0.144841  -0.269946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022972   0.268536  -0.249798
+    0SOL     H2    2   0.021775   0.349415  -0.198616
+    0SOL     H3    3  -0.065773   0.261016  -0.284871
+    1SOL     O4    4  -0.014763  -0.277621   0.249296
+    1SOL     H5    5  -0.025809  -0.208040   0.314094
+    1SOL     H6    6  -0.067533  -0.249429   0.174577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127036  -0.341726  -0.105917
+    0SOL     H2    2   0.201404  -0.281582  -0.102110
+    0SOL     H3    3   0.079658  -0.316323  -0.185115
+    1SOL     O4    4  -0.126436   0.339604   0.104392
+    1SOL     H5    5  -0.181080   0.265438   0.130387
+    1SOL     H6    6  -0.101344   0.381028   0.186956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071991  -0.255710  -0.264687
+    0SOL     H2    2  -0.144432  -0.288255  -0.211251
+    0SOL     H3    3  -0.026501  -0.334635  -0.294077
+    1SOL     O4    4   0.071024   0.268101   0.261273
+    1SOL     H5    5   0.036074   0.179828   0.249080
+    1SOL     H6    6   0.154841   0.254821   0.305554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125886   0.391853  -0.040064
+    0SOL     H2    2  -0.147409   0.485105  -0.041846
+    0SOL     H3    3  -0.204373   0.349774  -0.004970
+    1SOL     O4    4   0.136936  -0.392723   0.039973
+    1SOL     H5    5   0.082596  -0.360544  -0.031957
+    1SOL     H6    6   0.082720  -0.458572   0.083410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.206773   0.356554   0.076878
+    0SOL     H2    2  -0.270280   0.426777   0.090949
+    0SOL     H3    3  -0.174861   0.335136   0.164544
+    1SOL     O4    4   0.202010  -0.358454  -0.082108
+    1SOL     H5    5   0.254833  -0.428291  -0.043445
+    1SOL     H6    6   0.263156  -0.310029  -0.137592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.354708   0.279405   0.127004
+    0SOL     H2    2  -0.311247   0.194734   0.116795
+    0SOL     H3    3  -0.363002   0.290864   0.221673
+    1SOL     O4    4   0.346104  -0.273570  -0.131041
+    1SOL     H5    5   0.423479  -0.217885  -0.139687
+    1SOL     H6    6   0.380275  -0.362900  -0.134887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000496   0.474369   0.092622
+    0SOL     H2    2  -0.047468   0.396436   0.062917
+    0SOL     H3    3   0.091940   0.449998   0.087726
+    1SOL     O4    4  -0.004410  -0.475103  -0.090875
+    1SOL     H5    5   0.029004  -0.420872  -0.162322
+    1SOL     H6    6  -0.001691  -0.417995  -0.014105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113369  -0.113887  -0.456145
+    0SOL     H2    2   0.099174  -0.194550  -0.505686
+    0SOL     H3    3   0.136868  -0.143545  -0.368221
+    1SOL     O4    4  -0.117035   0.122265   0.448557
+    1SOL     H5    5  -0.149213   0.119097   0.538650
+    1SOL     H6    6  -0.029151   0.084610   0.453124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.460661  -0.145988   0.212923
+    0SOL     H2    2  -0.439792  -0.173706   0.302134
+    0SOL     H3    3  -0.554064  -0.164554   0.203254
+    1SOL     O4    4   0.464130   0.141773  -0.216325
+    1SOL     H5    5   0.462050   0.211645  -0.150935
+    1SOL     H6    6   0.477870   0.187132  -0.299487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077673   0.528111  -0.030747
+    0SOL     H2    2  -0.067195   0.468098   0.043084
+    0SOL     H3    3  -0.154415   0.580701  -0.008223
+    1SOL     O4    4   0.088605  -0.527553   0.025448
+    1SOL     H5    5   0.030103  -0.517949  -0.049702
+    1SOL     H6    6   0.029959  -0.539725   0.100113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.481632   0.238325  -0.020613
+    0SOL     H2    2  -0.498081   0.300692  -0.091338
+    0SOL     H3    3  -0.526844   0.275470   0.055139
+    1SOL     O4    4   0.477833  -0.244888   0.020077
+    1SOL     H5    5   0.533905  -0.196874   0.081010
+    1SOL     H6    6   0.538547  -0.283587  -0.042999
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.286059  -0.458781   0.081007
+    0SOL     H2    2  -0.353334  -0.392021   0.067613
+    0SOL     H3    3  -0.319386  -0.535958   0.035231
+    1SOL     O4    4   0.292519   0.465703  -0.076231
+    1SOL     H5    5   0.233919   0.436244  -0.145949
+    1SOL     H6    6   0.325386   0.384924  -0.036775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.547552   0.095059   0.006694
+    0SOL     H2    2   0.545027   0.180113  -0.037144
+    0SOL     H3    3   0.619828   0.102324   0.069029
+    1SOL     O4    4  -0.553240  -0.099847  -0.013522
+    1SOL     H5    5  -0.552691  -0.177198   0.042860
+    1SOL     H6    6  -0.516063  -0.030320   0.040757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.414421  -0.436487   0.060958
+    0SOL     H2    2  -0.502626  -0.462822   0.087197
+    0SOL     H3    3  -0.389232  -0.500213  -0.005877
+    1SOL     O4    4   0.423240   0.443950  -0.056078
+    1SOL     H5    5   0.402578   0.350969  -0.065558
+    1SOL     H6    6   0.349514   0.489215  -0.097042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.577498   0.339520  -0.196727
+    0SOL     H2    2   0.613880   0.400154  -0.261242
+    0SOL     H3    3   0.483452   0.357331  -0.197418
+    1SOL     O4    4  -0.579105  -0.340928   0.204345
+    1SOL     H5    5  -0.536445  -0.307416   0.125482
+    1SOL     H6    6  -0.537641  -0.425798   0.219838
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.207305  -0.680049  -0.106349
+    0SOL     H2    2  -0.128930  -0.633421  -0.135427
+    0SOL     H3    3  -0.237899  -0.726478  -0.184263
+    1SOL     O4    4   0.203083   0.673590   0.114974
+    1SOL     H5    5   0.274403   0.708136   0.061286
+    1SOL     H6    6   0.150057   0.750273   0.136662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.556785  -0.343581  -0.348559
+    0SOL     H2    2  -0.594117  -0.333593  -0.436131
+    0SOL     H3    3  -0.555963  -0.254892  -0.312562
+    1SOL     O4    4   0.564254   0.339087   0.355944
+    1SOL     H5    5   0.517096   0.257617   0.338592
+    1SOL     H6    6   0.522371   0.403650   0.299026
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.699936   0.158904  -0.497472
+    0SOL     H2    2   0.755940   0.221526  -0.451600
+    0SOL     H3    3   0.655644   0.210936  -0.564504
+    1SOL     O4    4  -0.702163  -0.164987   0.503968
+    1SOL     H5    5  -0.613710  -0.157921   0.468072
+    1SOL     H6    6  -0.758886  -0.170658   0.427074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.417566  -0.276734  -0.727118
+    0SOL     H2    2  -0.467337  -0.201693  -0.759582
+    0SOL     H3    3  -0.351765  -0.292949  -0.794717
+    1SOL     O4    4   0.419019   0.268705   0.736664
+    1SOL     H5    5   0.383358   0.355297   0.756476
+    1SOL     H6    6   0.418984   0.264037   0.641058
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.816866   0.348152   0.085103
+    0SOL     H2    2  -0.838594   0.272583   0.139688
+    0SOL     H3    3  -0.829885   0.317478  -0.004630
+    1SOL     O4    4   0.822027  -0.348165  -0.079975
+    1SOL     H5    5   0.856651  -0.259184  -0.086746
+    1SOL     H6    6   0.734318  -0.342739  -0.117921
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/470K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.931296   0.046586   0.270800
+    0SOL     H2    2  -0.982895  -0.033279   0.259777
+    0SOL     H3    3  -0.907877   0.047409   0.363607
+    1SOL     O4    4   0.935771  -0.047237  -0.272867
+    1SOL     H5    5   0.919615  -0.026519  -0.364911
+    1SOL     H6    6   0.901388   0.028130  -0.224911
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026721  -0.024991   0.120929
+    0SOL     H2    2  -0.002505  -0.115036   0.135071
+    0SOL     H3    3   0.117965  -0.024552   0.149852
+    1SOL     O4    4  -0.026861   0.032273  -0.129933
+    1SOL     H5    5   0.002602  -0.022554  -0.057213
+    1SOL     H6    6  -0.112187   0.065426  -0.101956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046625  -0.099782  -0.080131
+    0SOL     H2    2  -0.134685  -0.122293  -0.050116
+    0SOL     H3    3  -0.023426  -0.021621  -0.029981
+    1SOL     O4    4   0.053854   0.091000   0.072918
+    1SOL     H5    5   0.049523   0.179681   0.037151
+    1SOL     H6    6  -0.002906   0.093395   0.149956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019353  -0.098898   0.076186
+    0SOL     H2    2   0.003252  -0.191292   0.065478
+    0SOL     H3    3  -0.041151  -0.090123   0.168977
+    1SOL     O4    4   0.016230   0.105680  -0.087931
+    1SOL     H5    5  -0.001755   0.027162  -0.036223
+    1SOL     H6    6   0.078229   0.155691  -0.034851
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120246  -0.041562   0.014130
+    0SOL     H2    2  -0.163973   0.000298  -0.060018
+    0SOL     H3    3  -0.191439  -0.066259   0.073153
+    1SOL     O4    4   0.128683   0.045660  -0.018324
+    1SOL     H5    5   0.186257   0.008986   0.048777
+    1SOL     H6    6   0.044740   0.001783  -0.004514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029396   0.025535   0.122987
+    0SOL     H2    2   0.018156   0.009041   0.204406
+    0SOL     H3    3  -0.078138   0.106226   0.139587
+    1SOL     O4    4   0.035411  -0.031179  -0.131459
+    1SOL     H5    5   0.022157  -0.015000  -0.038052
+    1SOL     H6    6  -0.048846  -0.010051  -0.171667
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018472   0.005009  -0.137406
+    0SOL     H2    2  -0.009706  -0.026102  -0.051380
+    0SOL     H3    3  -0.042337   0.075890  -0.158393
+    1SOL     O4    4  -0.015487  -0.010001   0.127634
+    1SOL     H5    5  -0.063583   0.055590   0.178101
+    1SOL     H6    6   0.061254  -0.029995   0.181238
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102436  -0.077384  -0.057616
+    0SOL     H2    2   0.042590  -0.142429  -0.094357
+    0SOL     H3    3   0.047896  -0.025070   0.001129
+    1SOL     O4    4  -0.094013   0.071562   0.056783
+    1SOL     H5    5  -0.118242   0.117126  -0.023835
+    1SOL     H6    6  -0.110251   0.135397   0.126236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030902   0.046382  -0.124947
+    0SOL     H2    2   0.125785   0.057686  -0.119310
+    0SOL     H3    3  -0.005043   0.120796  -0.076647
+    1SOL     O4    4  -0.028563  -0.055200   0.123536
+    1SOL     H5    5  -0.091825  -0.015307   0.183275
+    1SOL     H6    6  -0.056293  -0.026481   0.036538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104555  -0.092325   0.011971
+    0SOL     H2    2  -0.185433  -0.043555   0.027543
+    0SOL     H3    3  -0.035549  -0.026075   0.015369
+    1SOL     O4    4   0.099671   0.087522  -0.008832
+    1SOL     H5    5   0.173037   0.028894   0.009676
+    1SOL     H6    6   0.113374   0.115257  -0.099415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006671  -0.042841   0.123232
+    0SOL     H2    2   0.070195  -0.033587   0.179519
+    0SOL     H3    3  -0.080020  -0.014828   0.177982
+    1SOL     O4    4   0.012253   0.039584  -0.133910
+    1SOL     H5    5   0.001018   0.029406  -0.039398
+    1SOL     H6    6  -0.074174   0.065732  -0.165674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086436   0.109343   0.013687
+    0SOL     H2    2  -0.010252   0.053149  -0.000474
+    0SOL     H3    3  -0.054899   0.178240   0.072176
+    1SOL     O4    4   0.076656  -0.104862  -0.015884
+    1SOL     H5    5   0.128409  -0.139800   0.056664
+    1SOL     H6    6   0.095131  -0.163720  -0.089073
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008300   0.087875   0.097868
+    0SOL     H2    2   0.018401   0.023754   0.168216
+    0SOL     H3    3  -0.002979   0.171500   0.143056
+    1SOL     O4    4  -0.004254  -0.089709  -0.109857
+    1SOL     H5    5  -0.078827  -0.145503  -0.087759
+    1SOL     H6    6   0.001399  -0.027401  -0.037414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078275   0.057578  -0.105599
+    0SOL     H2    2   0.023637   0.051501  -0.027240
+    0SOL     H3    3   0.110045  -0.031611  -0.119680
+    1SOL     O4    4  -0.072744  -0.055024   0.097705
+    1SOL     H5    5  -0.165527  -0.036143   0.083664
+    1SOL     H6    6  -0.053399  -0.017679   0.183690
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030073   0.080326   0.100854
+    0SOL     H2    2   0.088621   0.100829   0.173752
+    0SOL     H3    3  -0.055136   0.114271   0.128232
+    1SOL     O4    4  -0.034567  -0.086205  -0.106965
+    1SOL     H5    5  -0.003275  -0.047021  -0.025431
+    1SOL     H6    6   0.036345  -0.071313  -0.169512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034724  -0.100064  -0.077606
+    0SOL     H2    2  -0.089151  -0.090289  -0.155738
+    0SOL     H3    3  -0.006159  -0.191402  -0.079530
+    1SOL     O4    4   0.038023   0.104012   0.088220
+    1SOL     H5    5   0.046438   0.182116   0.033527
+    1SOL     H6    6  -0.005819   0.040038   0.032118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100713  -0.076392  -0.044817
+    0SOL     H2    2  -0.084169  -0.141558  -0.112949
+    0SOL     H3    3  -0.157516  -0.121136   0.017902
+    1SOL     O4    4   0.101861   0.089521   0.043918
+    1SOL     H5    5   0.185587   0.047472   0.063518
+    1SOL     H6    6   0.038103   0.018155   0.045964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035020   0.070463   0.121847
+    0SOL     H2    2  -0.016182   0.046013   0.031240
+    0SOL     H3    3   0.037375   0.033333   0.172271
+    1SOL     O4    4   0.027103  -0.062446  -0.115915
+    1SOL     H5    5   0.052983  -0.060716  -0.208054
+    1SOL     H6    6   0.054745  -0.148657  -0.084837
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009964   0.132127  -0.013180
+    0SOL     H2    2  -0.059486   0.211421   0.007373
+    0SOL     H3    3   0.066146   0.163372  -0.062103
+    1SOL     O4    4   0.012388  -0.142862   0.019463
+    1SOL     H5    5  -0.047966  -0.171897  -0.048923
+    1SOL     H6    6   0.007477  -0.047304   0.016816
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029241  -0.097801   0.098757
+    0SOL     H2    2   0.035692  -0.147519   0.148497
+    0SOL     H3    3   0.022080  -0.048989   0.034369
+    1SOL     O4    4   0.025675   0.095617  -0.093537
+    1SOL     H5    5  -0.001959   0.052251  -0.174271
+    1SOL     H6    6  -0.014603   0.182342  -0.097881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106339   0.040301   0.080948
+    0SOL     H2    2  -0.134043   0.057984   0.170849
+    0SOL     H3    3  -0.010865   0.035444   0.085773
+    1SOL     O4    4   0.106805  -0.039425  -0.081471
+    1SOL     H5    5   0.092255  -0.125954  -0.119725
+    1SOL     H6    6   0.044592   0.017569  -0.126677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012389   0.055870   0.134456
+    0SOL     H2    2  -0.034888   0.036376   0.043483
+    0SOL     H3    3   0.015766  -0.028112   0.170740
+    1SOL     O4    4   0.010303  -0.043171  -0.127381
+    1SOL     H5    5  -0.024096  -0.131063  -0.111442
+    1SOL     H6    6   0.072336  -0.054376  -0.199414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085332  -0.072019   0.084831
+    0SOL     H2    2  -0.094445  -0.051807  -0.008286
+    0SOL     H3    3  -0.172364  -0.056279   0.121436
+    1SOL     O4    4   0.085743   0.070745  -0.086391
+    1SOL     H5    5   0.168711   0.024370  -0.097706
+    1SOL     H6    6   0.088850   0.103946   0.003332
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085737  -0.111070  -0.002505
+    0SOL     H2    2   0.147607  -0.101733  -0.074943
+    0SOL     H3    3   0.017710  -0.169260  -0.036396
+    1SOL     O4    4  -0.086418   0.119412   0.004743
+    1SOL     H5    5  -0.002397   0.082978   0.032587
+    1SOL     H6    6  -0.151591   0.057982   0.038524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111680   0.051955   0.061003
+    0SOL     H2    2  -0.179296   0.110547   0.026985
+    0SOL     H3    3  -0.086652   0.090405   0.145012
+    1SOL     O4    4   0.117888  -0.057535  -0.070798
+    1SOL     H5    5   0.122598  -0.127142  -0.005261
+    1SOL     H6    6   0.059704   0.007914  -0.032153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020858  -0.052077   0.126354
+    0SOL     H2    2  -0.014702   0.013692   0.195628
+    0SOL     H3    3  -0.076052  -0.120919   0.163458
+    1SOL     O4    4   0.029566   0.054729  -0.133002
+    1SOL     H5    5  -0.041329   0.057049  -0.197274
+    1SOL     H6    6  -0.008346   0.010518  -0.057039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073858   0.065478   0.096194
+    0SOL     H2    2   0.105439   0.028424   0.178608
+    0SOL     H3    3   0.125990   0.144827   0.084020
+    1SOL     O4    4  -0.084346  -0.069703  -0.099315
+    1SOL     H5    5  -0.027016  -0.082969  -0.174811
+    1SOL     H6    6  -0.029582  -0.024282  -0.035282
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020660  -0.127080   0.057031
+    0SOL     H2    2   0.010919  -0.212470   0.086587
+    0SOL     H3    3  -0.067024  -0.145592  -0.024639
+    1SOL     O4    4   0.018159   0.133817  -0.059188
+    1SOL     H5    5   0.058133   0.202387  -0.005686
+    1SOL     H6    6   0.041157   0.052224  -0.014735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036156   0.129000  -0.035618
+    0SOL     H2    2   0.020639   0.205348  -0.045996
+    0SOL     H3    3  -0.124918   0.163763  -0.044283
+    1SOL     O4    4   0.034948  -0.141995   0.036270
+    1SOL     H5    5   0.013986  -0.061444  -0.011000
+    1SOL     H6    6   0.109139  -0.118501   0.092002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047442   0.138073  -0.044539
+    0SOL     H2    2   0.044723   0.119238  -0.062233
+    0SOL     H3    3  -0.083878   0.054460  -0.015494
+    1SOL     O4    4   0.047513  -0.131069   0.038149
+    1SOL     H5    5  -0.017351  -0.199149   0.056039
+    1SOL     H6    6   0.054131  -0.082091   0.120124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020188  -0.146665  -0.001674
+    0SOL     H2    2  -0.022528  -0.062948   0.016467
+    0SOL     H3    3  -0.050537  -0.211045   0.002264
+    1SOL     O4    4  -0.009123   0.140165   0.003143
+    1SOL     H5    5  -0.014671   0.173428  -0.086440
+    1SOL     H6    6  -0.074393   0.190707   0.051595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.134349   0.062875   0.005067
+    0SOL     H2    2   0.162515   0.124248  -0.062774
+    0SOL     H3    3   0.038864   0.061934  -0.001567
+    1SOL     O4    4  -0.126545  -0.060159  -0.002018
+    1SOL     H5    5  -0.218953  -0.076040  -0.021278
+    1SOL     H6    6  -0.095654  -0.142108   0.036613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122987  -0.050351   0.046883
+    0SOL     H2    2   0.164130  -0.109540   0.109860
+    0SOL     H3    3   0.162240  -0.073746  -0.037226
+    1SOL     O4    4  -0.133000   0.057285  -0.043282
+    1SOL     H5    5  -0.061568   0.007014  -0.004131
+    1SOL     H6    6  -0.105716   0.071112  -0.133983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.075129   0.093943  -0.078455
+    0SOL     H2    2   0.159589   0.087062  -0.033942
+    0SOL     H3    3   0.048310   0.184856  -0.065122
+    1SOL     O4    4  -0.084908  -0.097734   0.078612
+    1SOL     H5    5  -0.034656  -0.178423   0.067375
+    1SOL     H6    6  -0.033814  -0.031053   0.032726
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126055   0.032611   0.064249
+    0SOL     H2    2   0.153518   0.109945   0.113520
+    0SOL     H3    3   0.075345  -0.019008   0.126910
+    1SOL     O4    4  -0.129681  -0.030384  -0.071563
+    1SOL     H5    5  -0.049593  -0.008368  -0.023986
+    1SOL     H6    6  -0.113237  -0.117725  -0.107109
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.081954  -0.129477  -0.010791
+    0SOL     H2    2  -0.009076  -0.074223  -0.039043
+    0SOL     H3    3  -0.138494  -0.070797   0.039431
+    1SOL     O4    4   0.075717   0.124708   0.012916
+    1SOL     H5    5   0.164202   0.115156   0.048150
+    1SOL     H6    6   0.085262   0.107849  -0.080823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047757   0.053435  -0.122627
+    0SOL     H2    2  -0.071455   0.140869  -0.153546
+    0SOL     H3    3  -0.104607  -0.005694  -0.171965
+    1SOL     O4    4   0.057064  -0.059407   0.128633
+    1SOL     H5    5   0.047628  -0.007235   0.048938
+    1SOL     H6    6  -0.017159  -0.033469   0.183226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136664  -0.025461  -0.048371
+    0SOL     H2    2  -0.205679   0.028812  -0.086499
+    0SOL     H3    3  -0.071837  -0.034424  -0.118223
+    1SOL     O4    4   0.142444   0.022600   0.058539
+    1SOL     H5    5   0.119109   0.090085  -0.005208
+    1SOL     H6    6   0.069630  -0.039460   0.055529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040529  -0.122313  -0.084621
+    0SOL     H2    2   0.031449  -0.089198   0.004729
+    0SOL     H3    3  -0.049439  -0.133988  -0.115146
+    1SOL     O4    4  -0.040979   0.117419   0.080388
+    1SOL     H5    5   0.023460   0.121196   0.151068
+    1SOL     H6    6  -0.003289   0.171080   0.010658
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063840   0.079112   0.106363
+    0SOL     H2    2  -0.081424   0.126887   0.187422
+    0SOL     H3    3  -0.140679   0.023337   0.094227
+    1SOL     O4    4   0.069957  -0.084029  -0.107240
+    1SOL     H5    5   0.041075   0.000864  -0.073753
+    1SOL     H6    6   0.080628  -0.070327  -0.201371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025403  -0.138362   0.049007
+    0SOL     H2    2   0.053331  -0.141554   0.103348
+    0SOL     H3    3  -0.095820  -0.167224   0.107065
+    1SOL     O4    4   0.031615   0.141648  -0.054351
+    1SOL     H5    5  -0.035975   0.194241  -0.097104
+    1SOL     H6    6  -0.013502   0.061471  -0.027923
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073079  -0.104582  -0.076720
+    0SOL     H2    2  -0.122342  -0.139909  -0.002642
+    0SOL     H3    3  -0.138380  -0.093347  -0.145799
+    1SOL     O4    4   0.085003   0.107350   0.081040
+    1SOL     H5    5   0.074634   0.028718   0.027451
+    1SOL     H6    6   0.007407   0.159962   0.061722
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135624   0.057147  -0.014911
+    0SOL     H2    2  -0.211337   0.036959   0.040064
+    0SOL     H3    3  -0.153947   0.144332  -0.049916
+    1SOL     O4    4   0.146716  -0.064171   0.016938
+    1SOL     H5    5   0.097781   0.013319   0.044560
+    1SOL     H6    6   0.104305  -0.091616  -0.064366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004894  -0.111116   0.106489
+    0SOL     H2    2   0.067820  -0.158228   0.147175
+    0SOL     H3    3  -0.007968  -0.144521   0.016840
+    1SOL     O4    4   0.003901   0.121753  -0.101322
+    1SOL     H5    5  -0.074958   0.077800  -0.069514
+    1SOL     H6    6   0.037521   0.064064  -0.169907
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126812  -0.012261   0.079030
+    0SOL     H2    2  -0.129545  -0.045037   0.168923
+    0SOL     H3    3  -0.192692   0.057144   0.076778
+    1SOL     O4    4   0.131770   0.017686  -0.083361
+    1SOL     H5    5   0.050314  -0.032553  -0.081539
+    1SOL     H6    6   0.199962  -0.047712  -0.098703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042525  -0.142289   0.011880
+    0SOL     H2    2  -0.001080  -0.213254   0.059049
+    0SOL     H3    3   0.115822  -0.184649  -0.032791
+    1SOL     O4    4  -0.046036   0.152454  -0.006563
+    1SOL     H5    5  -0.016526   0.061760  -0.014683
+    1SOL     H6    6  -0.047134   0.185469  -0.096403
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024093   0.042187   0.148105
+    0SOL     H2    2   0.019518   0.062552   0.230843
+    0SOL     H3    3  -0.019505  -0.053187   0.141398
+    1SOL     O4    4   0.026005  -0.038072  -0.147651
+    1SOL     H5    5   0.020972  -0.097858  -0.222234
+    1SOL     H6    6  -0.050250   0.018955  -0.157418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040366   0.126964  -0.081880
+    0SOL     H2    2   0.003540   0.205364  -0.122619
+    0SOL     H3    3   0.007751   0.054567  -0.135333
+    1SOL     O4    4  -0.036567  -0.124841   0.094163
+    1SOL     H5    5   0.038425  -0.154958   0.042865
+    1SOL     H6    6  -0.110841  -0.131249   0.034125
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004160   0.159898   0.041795
+    0SOL     H2    2  -0.005908   0.073943  -0.000288
+    0SOL     H3    3  -0.069897   0.154017   0.111123
+    1SOL     O4    4   0.012084  -0.149421  -0.044904
+    1SOL     H5    5  -0.049300  -0.199992  -0.098166
+    1SOL     H6    6   0.004158  -0.186806   0.042856
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050550   0.131487  -0.068066
+    0SOL     H2    2   0.045110   0.227048  -0.067186
+    0SOL     H3    3   0.144029   0.112692  -0.059654
+    1SOL     O4    4  -0.059814  -0.140444   0.066112
+    1SOL     H5    5  -0.034057  -0.068675   0.008249
+    1SOL     H6    6  -0.005683  -0.128914   0.144209
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003168  -0.138749  -0.092315
+    0SOL     H2    2   0.020227  -0.199001  -0.021713
+    0SOL     H3    3  -0.033697  -0.059900  -0.047447
+    1SOL     O4    4   0.006188   0.131232   0.085882
+    1SOL     H5    5  -0.060740   0.173217   0.139922
+    1SOL     H6    6   0.028199   0.196790   0.019701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016232   0.071727   0.141134
+    0SOL     H2    2   0.019751   0.006551   0.201298
+    0SOL     H3    3   0.020609   0.154874   0.170993
+    1SOL     O4    4   0.008850  -0.074213  -0.152062
+    1SOL     H5    5   0.033817   0.013985  -0.124493
+    1SOL     H6    6   0.039401  -0.131015  -0.081334
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029760   0.084759   0.145796
+    0SOL     H2    2  -0.033826   0.071205   0.075543
+    0SOL     H3    3   0.089350   0.010163   0.138951
+    1SOL     O4    4  -0.030895  -0.076710  -0.134714
+    1SOL     H5    5  -0.088391  -0.078897  -0.211211
+    1SOL     H6    6   0.049980  -0.118515  -0.164276
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054581   0.084638   0.133593
+    0SOL     H2    2  -0.033476   0.097840   0.168719
+    0SOL     H3    3   0.056170   0.136041   0.052861
+    1SOL     O4    4  -0.054957  -0.089365  -0.129582
+    1SOL     H5    5  -0.013794  -0.068710  -0.213495
+    1SOL     H6    6   0.017988  -0.095332  -0.067892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095430   0.052020  -0.124095
+    0SOL     H2    2   0.143766   0.132264  -0.143766
+    0SOL     H3    3   0.161091  -0.007154  -0.087360
+    1SOL     O4    4  -0.107752  -0.056647   0.125225
+    1SOL     H5    5  -0.098598  -0.011908   0.041101
+    1SOL     H6    6  -0.023878  -0.042564   0.169147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112356   0.046321  -0.118065
+    0SOL     H2    2   0.122035   0.009227  -0.030357
+    0SOL     H3    3   0.157170  -0.015796  -0.175472
+    1SOL     O4    4  -0.115693  -0.045615   0.120882
+    1SOL     H5    5  -0.087096   0.045146   0.131227
+    1SOL     H6    6  -0.141810  -0.052226   0.029031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000834  -0.126091  -0.117027
+    0SOL     H2    2   0.046106  -0.207269  -0.094162
+    0SOL     H3    3  -0.021359  -0.086440  -0.032780
+    1SOL     O4    4  -0.005820   0.123185   0.110385
+    1SOL     H5    5   0.075185   0.146358   0.155812
+    1SOL     H6    6  -0.031605   0.203361   0.064897
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105929  -0.044118   0.125423
+    0SOL     H2    2   0.098802   0.050128   0.110280
+    0SOL     H3    3   0.196399  -0.065339   0.102464
+    1SOL     O4    4  -0.116749   0.037848  -0.125524
+    1SOL     H5    5  -0.044035  -0.022300  -0.109488
+    1SOL     H6    6  -0.083479   0.123451  -0.098550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087394  -0.086657   0.130267
+    0SOL     H2    2   0.005067  -0.073404   0.109349
+    0SOL     H3    3  -0.131987  -0.011994   0.090277
+    1SOL     O4    4   0.084230   0.075371  -0.128950
+    1SOL     H5    5   0.015032   0.137867  -0.107313
+    1SOL     H6    6   0.165513   0.121305  -0.107843
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048095  -0.100337   0.128940
+    0SOL     H2    2   0.028812  -0.065532   0.174064
+    0SOL     H3    3  -0.114454  -0.108513   0.197439
+    1SOL     O4    4   0.052500   0.103706  -0.132264
+    1SOL     H5    5   0.010087   0.095410  -0.217673
+    1SOL     H6    6   0.015486   0.032515  -0.080072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.151789  -0.037740  -0.081279
+    0SOL     H2    2  -0.155595   0.047791  -0.124084
+    0SOL     H3    3  -0.170611  -0.019374   0.010758
+    1SOL     O4    4   0.156227   0.036192   0.080675
+    1SOL     H5    5   0.106223   0.035021  -0.000937
+    1SOL     H6    6   0.139556  -0.049348   0.120264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046462  -0.066631   0.151247
+    0SOL     H2    2  -0.019079   0.001976   0.212121
+    0SOL     H3    3  -0.130707  -0.096711   0.185309
+    1SOL     O4    4   0.053604   0.062476  -0.152150
+    1SOL     H5    5  -0.041734   0.055204  -0.156642
+    1SOL     H6    6   0.077562   0.112472  -0.230180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092819   0.161981  -0.000746
+    0SOL     H2    2  -0.058214   0.072995   0.006060
+    0SOL     H3    3  -0.185250   0.150176  -0.022645
+    1SOL     O4    4   0.099254  -0.154756   0.007276
+    1SOL     H5    5   0.087870  -0.105260  -0.073859
+    1SOL     H6    6   0.052351  -0.236808  -0.007886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.157840  -0.081046  -0.059005
+    0SOL     H2    2   0.175433   0.008561  -0.030307
+    0SOL     H3    3   0.120567  -0.071301  -0.146629
+    1SOL     O4    4  -0.152190   0.081209   0.064222
+    1SOL     H5    5  -0.184382   0.007928   0.116718
+    1SOL     H6    6  -0.194668   0.070268  -0.020857
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.173143  -0.042324  -0.035185
+    0SOL     H2    2  -0.147939  -0.128986  -0.003300
+    0SOL     H3    3  -0.239698  -0.059667  -0.101759
+    1SOL     O4    4   0.179702   0.046201   0.032424
+    1SOL     H5    5   0.146866   0.134222   0.050766
+    1SOL     H6    6   0.139285  -0.008936   0.099422
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011263  -0.128733  -0.132446
+    0SOL     H2    2  -0.035372  -0.124236  -0.048976
+    0SOL     H3    3  -0.019081  -0.210187  -0.172531
+    1SOL     O4    4  -0.009383   0.129251   0.124899
+    1SOL     H5    5   0.059627   0.193478   0.108321
+    1SOL     H6    6  -0.027587   0.137212   0.218534
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066645  -0.175119   0.001706
+    0SOL     H2    2   0.091900  -0.220637  -0.078623
+    0SOL     H3    3   0.137803  -0.193435   0.063053
+    1SOL     O4    4  -0.073312   0.181772   0.004646
+    1SOL     H5    5  -0.003034   0.201337  -0.057326
+    1SOL     H6    6  -0.116576   0.104527  -0.031736
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.193449   0.004792  -0.046753
+    0SOL     H2    2  -0.130956   0.059152   0.001225
+    0SOL     H3    3  -0.204968  -0.072729   0.008203
+    1SOL     O4    4   0.188985  -0.010271   0.043601
+    1SOL     H5    5   0.196333   0.069237   0.096391
+    1SOL     H6    6   0.209067   0.018179  -0.045560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036389  -0.189782   0.045482
+    0SOL     H2    2  -0.010764  -0.273578   0.006962
+    0SOL     H3    3  -0.004040  -0.193847   0.135479
+    1SOL     O4    4   0.027805   0.198603  -0.048948
+    1SOL     H5    5   0.034316   0.105469  -0.027829
+    1SOL     H6    6   0.118615   0.228326  -0.054644
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.136241   0.129207  -0.092462
+    0SOL     H2    2   0.108134   0.037726  -0.094351
+    0SOL     H3    3   0.058208   0.177740  -0.065671
+    1SOL     O4    4  -0.126300  -0.127603   0.086642
+    1SOL     H5    5  -0.170060  -0.196613   0.136493
+    1SOL     H6    6  -0.161876  -0.046129   0.122119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.081115   0.170582   0.114205
+    0SOL     H2    2  -0.040496   0.253686   0.138824
+    0SOL     H3    3  -0.011039   0.121358   0.071442
+    1SOL     O4    4   0.078608  -0.166835  -0.113481
+    1SOL     H5    5   0.099381  -0.249912  -0.070714
+    1SOL     H6    6  -0.008572  -0.180139  -0.150694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012065  -0.116852   0.185569
+    0SOL     H2    2  -0.038811  -0.036635   0.197367
+    0SOL     H3    3   0.093812  -0.100564   0.232627
+    1SOL     O4    4  -0.013142   0.108442  -0.182370
+    1SOL     H5    5  -0.085747   0.099435  -0.244092
+    1SOL     H6    6   0.052410   0.159647  -0.229735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071748  -0.081047   0.195382
+    0SOL     H2    2  -0.077720  -0.080021   0.290910
+    0SOL     H3    3  -0.046519   0.008266   0.171953
+    1SOL     O4    4   0.070710   0.070564  -0.202639
+    1SOL     H5    5   0.147182   0.120532  -0.174045
+    1SOL     H6    6  -0.003968   0.117875  -0.165934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.151411  -0.066409  -0.150279
+    0SOL     H2    2   0.235446  -0.023680  -0.166852
+    0SOL     H3    3   0.173430  -0.142799  -0.096969
+    1SOL     O4    4  -0.155059   0.063600   0.153932
+    1SOL     H5    5  -0.243699   0.084926   0.124770
+    1SOL     H6    6  -0.097927   0.113387   0.095455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097630   0.111801   0.188347
+    0SOL     H2    2  -0.101218   0.035845   0.130209
+    0SOL     H3    3  -0.045995   0.176448   0.140213
+    1SOL     O4    4   0.092334  -0.114829  -0.186399
+    1SOL     H5    5   0.184539  -0.094517  -0.170650
+    1SOL     H6    6   0.045313  -0.067922  -0.117471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136835  -0.076768  -0.194976
+    0SOL     H2    2  -0.151056  -0.164404  -0.230754
+    0SOL     H3    3  -0.223509  -0.036158  -0.195790
+    1SOL     O4    4   0.147626   0.082716   0.194730
+    1SOL     H5    5   0.142827   0.047659   0.283670
+    1SOL     H6    6   0.064635   0.057268   0.154392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034061   0.247925  -0.002626
+    0SOL     H2    2  -0.040806   0.321323   0.058444
+    0SOL     H3    3  -0.091548   0.271837  -0.075330
+    1SOL     O4    4   0.039047  -0.250057   0.008482
+    1SOL     H5    5   0.095151  -0.313642  -0.035921
+    1SOL     H6    6  -0.040935  -0.247814  -0.044055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.206113  -0.030551  -0.151066
+    0SOL     H2    2  -0.263792   0.045839  -0.150995
+    0SOL     H3    3  -0.243867  -0.089068  -0.216737
+    1SOL     O4    4   0.212731   0.025669   0.149575
+    1SOL     H5    5   0.224830  -0.001633   0.240518
+    1SOL     H6    6   0.184904   0.117066   0.155455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.153254  -0.242396   0.043377
+    0SOL     H2    2  -0.200957  -0.170751   0.001499
+    0SOL     H3    3  -0.123359  -0.297039  -0.029305
+    1SOL     O4    4   0.156098   0.235518  -0.034282
+    1SOL     H5    5   0.127108   0.250524  -0.124264
+    1SOL     H6    6   0.153262   0.322028   0.006588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028082  -0.063382   0.280593
+    0SOL     H2    2  -0.044463  -0.123049   0.262172
+    0SOL     H3    3   0.057688  -0.087939   0.368244
+    1SOL     O4    4  -0.030136   0.072419  -0.283980
+    1SOL     H5    5  -0.007963  -0.001503  -0.227357
+    1SOL     H6    6   0.034181   0.068564  -0.354767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.146124   0.061451  -0.286411
+    0SOL     H2    2   0.237975   0.075176  -0.309590
+    0SOL     H3    3   0.136062  -0.033695  -0.283518
+    1SOL     O4    4  -0.150353  -0.051174   0.291588
+    1SOL     H5    5  -0.220418  -0.073201   0.230204
+    1SOL     H6    6  -0.087666  -0.123028   0.283243
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.214576   0.191044  -0.155855
+    0SOL     H2    2   0.307039   0.197006  -0.179880
+    0SOL     H3    3   0.210204   0.228341  -0.067809
+    1SOL     O4    4  -0.218675  -0.192644   0.159267
+    1SOL     H5    5  -0.182011  -0.260760   0.102890
+    1SOL     H6    6  -0.268946  -0.136855   0.099914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018704   0.338491  -0.036957
+    0SOL     H2    2  -0.019145   0.426410  -0.036685
+    0SOL     H3    3   0.069221   0.333860   0.044215
+    1SOL     O4    4  -0.022344  -0.348332   0.034890
+    1SOL     H5    5   0.029043  -0.278292   0.075092
+    1SOL     H6    6  -0.024931  -0.325847  -0.058116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051666   0.118825  -0.371544
+    0SOL     H2    2  -0.060529   0.101090  -0.277900
+    0SOL     H3    3   0.017336   0.184940  -0.377022
+    1SOL     O4    4   0.045875  -0.125943   0.368985
+    1SOL     H5    5   0.016740  -0.034765   0.368573
+    1SOL     H6    6   0.130001  -0.124462   0.323347
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.413392   0.034786   0.029624
+    0SOL     H2    2   0.321896   0.049218   0.005489
+    0SOL     H3    3   0.461302   0.104536  -0.015119
+    1SOL     O4    4  -0.408682  -0.044770  -0.026956
+    1SOL     H5    5  -0.371604   0.039084  -0.054454
+    1SOL     H6    6  -0.491267  -0.021697   0.015586
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.160353  -0.367216   0.220387
+    0SOL     H2    2  -0.253121  -0.355079   0.240615
+    0SOL     H3    3  -0.115672  -0.354435   0.304069
+    1SOL     O4    4   0.168132   0.365007  -0.230272
+    1SOL     H5    5   0.078121   0.337055  -0.246975
+    1SOL     H6    6   0.164748   0.406612  -0.144133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.195408  -0.344916  -0.339948
+    0SOL     H2    2   0.288455  -0.331837  -0.358212
+    0SOL     H3    3   0.150338  -0.294132  -0.407416
+    1SOL     O4    4  -0.197498   0.340057   0.350803
+    1SOL     H5    5  -0.134494   0.381721   0.292007
+    1SOL     H6    6  -0.273400   0.321620   0.295473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001892  -0.607950   0.048549
+    0SOL     H2    2   0.032974  -0.629744  -0.037890
+    0SOL     H3    3   0.053367  -0.656638   0.109689
+    1SOL     O4    4   0.002711   0.612475  -0.043504
+    1SOL     H5    5  -0.076180   0.563599  -0.020060
+    1SOL     H6    6  -0.014250   0.644325  -0.132162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.531631  -0.393800   0.037555
+    0SOL     H2    2  -0.614977  -0.351645   0.058498
+    0SOL     H3    3  -0.485758  -0.399245   0.121391
+    1SOL     O4    4   0.533083   0.388728  -0.037538
+    1SOL     H5    5   0.608466   0.403184  -0.094729
+    1SOL     H6    6   0.460998   0.434470  -0.080823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.668772  -0.123225  -0.229824
+    0SOL     H2    2   0.656267  -0.071738  -0.309543
+    0SOL     H3    3   0.611346  -0.198994  -0.240937
+    1SOL     O4    4  -0.663728   0.127076   0.240959
+    1SOL     H5    5  -0.720969   0.054808   0.215206
+    1SOL     H6    6  -0.625843   0.158157   0.158733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/480K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113105   0.176460   0.729716
+    0SOL     H2    2  -0.062070   0.109292   0.774952
+    0SOL     H3    3  -0.202568   0.142423   0.729326
+    1SOL     O4    4   0.111542  -0.168941  -0.726193
+    1SOL     H5    5   0.139479  -0.112914  -0.798600
+    1SOL     H6    6   0.140254  -0.256729  -0.751318
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004802   0.021952   0.130087
+    0SOL     H2    2   0.024764  -0.014798   0.043986
+    0SOL     H3    3   0.003281   0.116619   0.116008
+    1SOL     O4    4   0.000561  -0.027642  -0.121848
+    1SOL     H5    5  -0.075996  -0.083053  -0.137049
+    1SOL     H6    6  -0.031406   0.061608  -0.135071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051762   0.121363  -0.017495
+    0SOL     H2    2   0.083492   0.125610  -0.107703
+    0SOL     H3    3   0.029278   0.029265  -0.004275
+    1SOL     O4    4  -0.046487  -0.112832   0.023353
+    1SOL     H5    5  -0.130067  -0.098180   0.067647
+    1SOL     H6    6  -0.064490  -0.182931  -0.039291
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000307  -0.086311   0.091800
+    0SOL     H2    2   0.056066  -0.138309   0.033925
+    0SOL     H3    3  -0.059459  -0.149935   0.131073
+    1SOL     O4    4  -0.006054   0.095737  -0.090814
+    1SOL     H5    5   0.025012   0.022069  -0.038181
+    1SOL     H6    6   0.068998   0.119743  -0.145157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062390   0.121004  -0.003602
+    0SOL     H2    2   0.038089   0.029469  -0.017503
+    0SOL     H3    3  -0.020128   0.164857   0.017133
+    1SOL     O4    4  -0.056246  -0.113600   0.008969
+    1SOL     H5    5  -0.003133  -0.192325  -0.003014
+    1SOL     H6    6  -0.110290  -0.108878  -0.069893
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076759  -0.003585  -0.100387
+    0SOL     H2    2  -0.154139  -0.059880  -0.098029
+    0SOL     H3    3  -0.095608   0.060248  -0.169179
+    1SOL     O4    4   0.079726   0.005867   0.109465
+    1SOL     H5    5   0.167591  -0.029656   0.096042
+    1SOL     H6    6   0.037007  -0.002934   0.024260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099751   0.002050   0.079944
+    0SOL     H2    2   0.136291  -0.041115   0.157171
+    0SOL     H3    3   0.170653   0.000280   0.015662
+    1SOL     O4    4  -0.106950   0.005872  -0.084197
+    1SOL     H5    5  -0.032707  -0.021370  -0.030269
+    1SOL     H6    6  -0.167592  -0.068104  -0.080679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006761  -0.140168   0.011942
+    0SOL     H2    2  -0.014520  -0.055864   0.051968
+    0SOL     H3    3   0.010159  -0.121970  -0.081971
+    1SOL     O4    4  -0.007649   0.131166  -0.003227
+    1SOL     H5    5  -0.057769   0.149002  -0.082801
+    1SOL     H6    6   0.079841   0.165254  -0.021823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065408   0.110547   0.003988
+    0SOL     H2    2  -0.025687   0.197161  -0.005108
+    0SOL     H3    3  -0.155100   0.121855  -0.027473
+    1SOL     O4    4   0.071861  -0.120815   0.000939
+    1SOL     H5    5   0.017825  -0.131084  -0.077400
+    1SOL     H6    6   0.057043  -0.030394   0.028630
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032245   0.072553   0.112750
+    0SOL     H2    2  -0.061377   0.065380   0.131349
+    0SOL     H3    3   0.067892  -0.013301   0.135566
+    1SOL     O4    4  -0.023371  -0.067351  -0.119435
+    1SOL     H5    5  -0.111178  -0.105000  -0.125336
+    1SOL     H6    6  -0.026315  -0.011664  -0.041636
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028312  -0.121498   0.065558
+    0SOL     H2    2  -0.096463  -0.160440   0.010774
+    0SOL     H3    3  -0.022541  -0.030712   0.035778
+    1SOL     O4    4   0.025860   0.114673  -0.058782
+    1SOL     H5    5   0.079929   0.168571  -0.001043
+    1SOL     H6    6   0.070219   0.118333  -0.143524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037343  -0.057655   0.114118
+    0SOL     H2    2  -0.039662  -0.112624   0.128643
+    0SOL     H3    3   0.106025  -0.098069   0.167143
+    1SOL     O4    4  -0.041215   0.067884  -0.119410
+    1SOL     H5    5   0.018223   0.017851  -0.175321
+    1SOL     H6    6  -0.024337   0.035127  -0.031067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033189  -0.129321   0.007484
+    0SOL     H2    2  -0.122123  -0.162911  -0.003690
+    0SOL     H3    3   0.009482  -0.192986   0.064827
+    1SOL     O4    4   0.032886   0.139505  -0.012347
+    1SOL     H5    5   0.115577   0.137355   0.035820
+    1SOL     H6    6   0.003437   0.048436  -0.013546
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.121109   0.047210   0.033793
+    0SOL     H2    2  -0.161669   0.063000   0.119045
+    0SOL     H3    3  -0.189510   0.004513  -0.017787
+    1SOL     O4    4   0.132608  -0.046941  -0.039392
+    1SOL     H5    5   0.105548  -0.088509   0.042475
+    1SOL     H6    6   0.063485   0.016593  -0.058040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040089   0.105024  -0.070831
+    0SOL     H2    2   0.021059   0.125869  -0.141462
+    0SOL     H3    3  -0.101476   0.178460  -0.069780
+    1SOL     O4    4   0.035685  -0.113696   0.078648
+    1SOL     H5    5   0.128461  -0.137206   0.080165
+    1SOL     H6    6   0.029660  -0.043977   0.013340
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038532   0.072711   0.114888
+    0SOL     H2    2  -0.019051   0.058508   0.207522
+    0SOL     H3    3   0.021387   0.014214   0.068519
+    1SOL     O4    4   0.028168  -0.067540  -0.113758
+    1SOL     H5    5   0.071253  -0.014084  -0.180455
+    1SOL     H6    6   0.085032  -0.143888  -0.103774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009477   0.113288  -0.090589
+    0SOL     H2    2   0.025535   0.184045  -0.028157
+    0SOL     H3    3   0.042022   0.034701  -0.046688
+    1SOL     O4    4  -0.009852  -0.115514   0.089668
+    1SOL     H5    5  -0.083171  -0.054516   0.081552
+    1SOL     H6    6   0.019034  -0.130431  -0.000362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111634   0.047046   0.076950
+    0SOL     H2    2   0.200423   0.011531   0.072763
+    0SOL     H3    3   0.064052   0.000915   0.007884
+    1SOL     O4    4  -0.111150  -0.038071  -0.077416
+    1SOL     H5    5  -0.163425  -0.012815  -0.001312
+    1SOL     H6    6  -0.109389  -0.133734  -0.074645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083696   0.092326   0.071391
+    0SOL     H2    2   0.061003   0.125179   0.158385
+    0SOL     H3    3   0.007157   0.041721   0.044129
+    1SOL     O4    4  -0.078010  -0.094687  -0.068504
+    1SOL     H5    5  -0.005515  -0.080422  -0.129358
+    1SOL     H6    6  -0.154203  -0.057290  -0.112758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121023  -0.062428  -0.019244
+    0SOL     H2    2   0.179097  -0.039141  -0.091683
+    0SOL     H3    3   0.098280  -0.154026  -0.035213
+    1SOL     O4    4  -0.127207   0.072551   0.026597
+    1SOL     H5    5  -0.032220   0.061099   0.023658
+    1SOL     H6    6  -0.162444  -0.012009  -0.001160
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028143   0.046242   0.138709
+    0SOL     H2    2  -0.106004   0.055226   0.083761
+    0SOL     H3    3   0.045197   0.051145   0.077395
+    1SOL     O4    4   0.028607  -0.048972  -0.124507
+    1SOL     H5    5   0.044479   0.037782  -0.161710
+    1SOL     H6    6   0.015155  -0.105583  -0.200511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.049485   0.073848  -0.116698
+    0SOL     H2    2  -0.000372   0.013023  -0.062137
+    0SOL     H3    3   0.110274   0.018158  -0.165335
+    1SOL     O4    4  -0.048081  -0.062362   0.113449
+    1SOL     H5    5  -0.005503  -0.142796   0.143109
+    1SOL     H6    6  -0.136939  -0.067874   0.148609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128588   0.053950   0.018670
+    0SOL     H2    2  -0.128902   0.149175   0.008946
+    0SOL     H3    3  -0.187595   0.022631  -0.049884
+    1SOL     O4    4   0.136906  -0.054820  -0.017774
+    1SOL     H5    5   0.118085  -0.138522   0.024677
+    1SOL     H6    6   0.057266  -0.003184  -0.005383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093070   0.064604   0.078902
+    0SOL     H2    2  -0.065672   0.155119   0.093689
+    0SOL     H3    3  -0.177372   0.057429   0.123667
+    1SOL     O4    4   0.095110  -0.067872  -0.088990
+    1SOL     H5    5   0.068185  -0.019106  -0.011148
+    1SOL     H6    6   0.145949  -0.141431  -0.054833
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.134162   0.007506   0.051516
+    0SOL     H2    2   0.104565   0.047295   0.133389
+    0SOL     H3    3   0.146497  -0.084984   0.072867
+    1SOL     O4    4  -0.139115  -0.002484  -0.055360
+    1SOL     H5    5  -0.054277  -0.005903  -0.011165
+    1SOL     H6    6  -0.121896  -0.036792  -0.143046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090617  -0.103546  -0.022921
+    0SOL     H2    2   0.126549  -0.119964  -0.110109
+    0SOL     H3    3   0.160061  -0.130605   0.037141
+    1SOL     O4    4  -0.099165   0.111125   0.020352
+    1SOL     H5    5  -0.145011   0.032914   0.051067
+    1SOL     H6    6  -0.011292   0.103597   0.057554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012967   0.123873  -0.069336
+    0SOL     H2    2   0.038957   0.107856  -0.148137
+    0SOL     H3    3  -0.102101   0.137126  -0.101612
+    1SOL     O4    4   0.011094  -0.124608   0.080324
+    1SOL     H5    5  -0.003208  -0.067905   0.004544
+    1SOL     H6    6   0.095783  -0.165998   0.063683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027129   0.130533   0.051501
+    0SOL     H2    2  -0.014164   0.148629   0.144597
+    0SOL     H3    3   0.053144   0.161580   0.009612
+    1SOL     O4    4   0.019382  -0.134492  -0.061139
+    1SOL     H5    5   0.105288  -0.155782  -0.024681
+    1SOL     H6    6  -0.028329  -0.094548   0.011596
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.105773   0.086579   0.047255
+    0SOL     H2    2  -0.113410   0.101186   0.141545
+    0SOL     H3    3  -0.157758   0.007894   0.030872
+    1SOL     O4    4   0.107889  -0.086877  -0.045084
+    1SOL     H5    5   0.178132  -0.095461  -0.109540
+    1SOL     H6    6   0.051999  -0.017266  -0.079623
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043037   0.123010   0.065695
+    0SOL     H2    2  -0.030550   0.096096   0.120675
+    0SOL     H3    3   0.112848   0.144126   0.127686
+    1SOL     O4    4  -0.037238  -0.126560  -0.070481
+    1SOL     H5    5  -0.125674  -0.154791  -0.093814
+    1SOL     H6    6  -0.039952  -0.031116  -0.077225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017814   0.149261   0.035920
+    0SOL     H2    2   0.000593   0.055897   0.048121
+    0SOL     H3    3   0.028796   0.159486  -0.058617
+    1SOL     O4    4  -0.018233  -0.140708  -0.025938
+    1SOL     H5    5   0.054250  -0.199455  -0.047322
+    1SOL     H6    6  -0.076788  -0.146366  -0.101447
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108840   0.111046  -0.020381
+    0SOL     H2    2   0.072940   0.024529  -0.040087
+    0SOL     H3    3   0.044136   0.151245   0.037582
+    1SOL     O4    4  -0.096543  -0.107769   0.016279
+    1SOL     H5    5  -0.127247  -0.138200   0.101682
+    1SOL     H6    6  -0.176391  -0.083994  -0.030853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007371   0.001346  -0.143378
+    0SOL     H2    2  -0.084053  -0.023786  -0.194861
+    0SOL     H3    3   0.065995  -0.006085  -0.204407
+    1SOL     O4    4   0.013591   0.001979   0.152090
+    1SOL     H5    5  -0.073178   0.006319   0.192271
+    1SOL     H6    6  -0.002595  -0.030345   0.063459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014611  -0.146258  -0.025872
+    0SOL     H2    2   0.052839  -0.204274   0.009440
+    0SOL     H3    3   0.017735  -0.121836  -0.112587
+    1SOL     O4    4   0.005867   0.152981   0.029589
+    1SOL     H5    5   0.099758   0.151668   0.011013
+    1SOL     H6    6  -0.019246   0.060672   0.032847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060883   0.013818   0.132506
+    0SOL     H2    2  -0.091186   0.024978   0.222615
+    0SOL     H3    3  -0.133786   0.044644   0.078679
+    1SOL     O4    4   0.062978  -0.012696  -0.139702
+    1SOL     H5    5   0.062348   0.005246  -0.045681
+    1SOL     H6    6   0.122845  -0.086725  -0.149607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024602   0.039444   0.152049
+    0SOL     H2    2   0.101718   0.036888   0.095401
+    0SOL     H3    3  -0.011729  -0.048976   0.147132
+    1SOL     O4    4  -0.030768  -0.033493  -0.142900
+    1SOL     H5    5   0.042376  -0.094625  -0.151568
+    1SOL     H6    6  -0.035178   0.010821  -0.227630
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.086827   0.132120   0.002201
+    0SOL     H2    2   0.029058   0.061773   0.031803
+    0SOL     H3    3   0.141099   0.152282   0.078426
+    1SOL     O4    4  -0.085576  -0.127464  -0.013731
+    1SOL     H5    5  -0.040187  -0.195704   0.035721
+    1SOL     H6    6  -0.152943  -0.095223   0.046140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016995   0.152000   0.013287
+    0SOL     H2    2  -0.041659   0.237746   0.047951
+    0SOL     H3    3   0.059550   0.169373  -0.041496
+    1SOL     O4    4   0.018048  -0.160570  -0.016427
+    1SOL     H5    5   0.002002  -0.189033   0.073543
+    1SOL     H6    6  -0.040254  -0.085645  -0.028654
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127721  -0.033088  -0.088566
+    0SOL     H2    2  -0.177065  -0.095115  -0.142233
+    0SOL     H3    3  -0.037392  -0.064516  -0.092493
+    1SOL     O4    4   0.129940   0.037491   0.088161
+    1SOL     H5    5   0.080569   0.118230   0.102513
+    1SOL     H6    6   0.089548  -0.026148   0.147160
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054034  -0.042958   0.143109
+    0SOL     H2    2  -0.135250   0.005603   0.157533
+    0SOL     H3    3   0.012147   0.005879   0.192071
+    1SOL     O4    4   0.060151   0.039108  -0.142503
+    1SOL     H5    5  -0.028288   0.007569  -0.123901
+    1SOL     H6    6   0.066547   0.037684  -0.237998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098860  -0.140792   0.022916
+    0SOL     H2    2  -0.050647  -0.139353   0.105595
+    0SOL     H3    3  -0.051195  -0.080106  -0.033720
+    1SOL     O4    4   0.087151   0.133196  -0.024963
+    1SOL     H5    5   0.151473   0.145256  -0.094817
+    1SOL     H6    6   0.121927   0.183552   0.048638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105316  -0.119070   0.038321
+    0SOL     H2    2   0.195904  -0.124547   0.068752
+    0SOL     H3    3   0.058555  -0.184478   0.090259
+    1SOL     O4    4  -0.111239   0.124244  -0.049028
+    1SOL     H5    5  -0.018051   0.107204  -0.035324
+    1SOL     H6    6  -0.148337   0.127096   0.039165
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.147087   0.082727  -0.037205
+    0SOL     H2    2   0.096255   0.076984  -0.118108
+    0SOL     H3    3   0.192460  -0.001353  -0.031351
+    1SOL     O4    4  -0.147042  -0.074419   0.046697
+    1SOL     H5    5  -0.214769  -0.131089   0.009767
+    1SOL     H6    6  -0.072624  -0.084100  -0.012721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029393   0.157908  -0.047247
+    0SOL     H2    2   0.027852   0.198948  -0.133709
+    0SOL     H3    3   0.120974   0.163035  -0.019878
+    1SOL     O4    4  -0.035704  -0.166175   0.055053
+    1SOL     H5    5  -0.098504  -0.099604   0.027003
+    1SOL     H6    6   0.046163  -0.141608   0.011966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.151266   0.021278  -0.078421
+    0SOL     H2    2   0.083866   0.086916  -0.096065
+    0SOL     H3    3   0.170054  -0.017414  -0.163932
+    1SOL     O4    4  -0.149639  -0.027929   0.089630
+    1SOL     H5    5  -0.214268   0.017435   0.035523
+    1SOL     H6    6  -0.065600   0.009306   0.062923
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033768  -0.164742   0.031049
+    0SOL     H2    2  -0.098895  -0.234223   0.021395
+    0SOL     H3    3  -0.067600  -0.109791   0.101746
+    1SOL     O4    4   0.043432   0.169838  -0.036635
+    1SOL     H5    5  -0.046484   0.152974  -0.064793
+    1SOL     H6    6   0.057805   0.108744   0.035638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137266  -0.036052  -0.106980
+    0SOL     H2    2   0.072800  -0.105379  -0.092831
+    0SOL     H3    3   0.114088   0.001281  -0.192017
+    1SOL     O4    4  -0.132789   0.036442   0.104154
+    1SOL     H5    5  -0.200207   0.009098   0.166360
+    1SOL     H6    6  -0.067224   0.080945   0.157848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083482  -0.111996  -0.110489
+    0SOL     H2    2  -0.019220  -0.151806  -0.051771
+    0SOL     H3    3  -0.136875  -0.185378  -0.140928
+    1SOL     O4    4   0.078768   0.115086   0.113261
+    1SOL     H5    5   0.153808   0.075585   0.068864
+    1SOL     H6    6   0.079876   0.206656   0.085404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080351  -0.124976  -0.110641
+    0SOL     H2    2  -0.151587  -0.154965  -0.054175
+    0SOL     H3    3  -0.056618  -0.039059  -0.075752
+    1SOL     O4    4   0.080755   0.116854   0.103818
+    1SOL     H5    5   0.096037   0.147356   0.193252
+    1SOL     H6    6   0.109127   0.189613   0.048469
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017660   0.183739  -0.019193
+    0SOL     H2    2   0.036652   0.262515  -0.070143
+    0SOL     H3    3   0.065595   0.114045  -0.063995
+    1SOL     O4    4  -0.022129  -0.182952   0.017626
+    1SOL     H5    5  -0.033166  -0.266767   0.062521
+    1SOL     H6    6   0.001188  -0.121393   0.087118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095087  -0.030496  -0.152988
+    0SOL     H2    2   0.122320   0.025798  -0.225456
+    0SOL     H3    3   0.084269  -0.116988  -0.192541
+    1SOL     O4    4  -0.090537   0.032801   0.156481
+    1SOL     H5    5  -0.117709  -0.027347   0.225809
+    1SOL     H6    6  -0.169617   0.082454   0.135430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161583   0.009272   0.103333
+    0SOL     H2    2  -0.171084  -0.027116   0.015311
+    0SOL     H3    3  -0.195083   0.098646   0.096100
+    1SOL     O4    4   0.167093  -0.017041  -0.097675
+    1SOL     H5    5   0.195863   0.066680  -0.134080
+    1SOL     H6    6   0.075882  -0.002269  -0.072683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128128  -0.076836  -0.126704
+    0SOL     H2    2  -0.052887  -0.033821  -0.086075
+    0SOL     H3    3  -0.202077  -0.019251  -0.107265
+    1SOL     O4    4   0.133976   0.066590   0.120975
+    1SOL     H5    5   0.045315   0.040453   0.145842
+    1SOL     H6    6   0.134727   0.161749   0.131295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057354  -0.163957  -0.074192
+    0SOL     H2    2   0.118353  -0.165306  -0.147947
+    0SOL     H3    3   0.033496  -0.255727  -0.061100
+    1SOL     O4    4  -0.054257   0.173540   0.080712
+    1SOL     H5    5  -0.139885   0.200312   0.047342
+    1SOL     H6    6  -0.052046   0.078720   0.067804
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084274   0.165234  -0.068115
+    0SOL     H2    2  -0.009378   0.184441  -0.063357
+    0SOL     H3    3   0.098791   0.138938  -0.159001
+    1SOL     O4    4  -0.078523  -0.159276   0.069301
+    1SOL     H5    5  -0.160609  -0.196313   0.101742
+    1SOL     H6    6  -0.010798  -0.218099   0.102701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096505  -0.151670  -0.096008
+    0SOL     H2    2  -0.053413  -0.126262  -0.014400
+    0SOL     H3    3  -0.087720  -0.075017  -0.152661
+    1SOL     O4    4   0.094551   0.149419   0.088607
+    1SOL     H5    5   0.033034   0.168298   0.159470
+    1SOL     H6    6   0.143159   0.072697   0.118826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.178240  -0.034546  -0.067379
+    0SOL     H2    2  -0.188874  -0.084642  -0.148247
+    0SOL     H3    3  -0.216843  -0.089977   0.000441
+    1SOL     O4    4   0.185620   0.044454   0.070714
+    1SOL     H5    5   0.090962   0.044887   0.084926
+    1SOL     H6    6   0.199297  -0.020944   0.002170
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012118   0.124912   0.159333
+    0SOL     H2    2   0.028546   0.066084   0.085633
+    0SOL     H3    3   0.066812   0.201441   0.141608
+    1SOL     O4    4  -0.019464  -0.122968  -0.149667
+    1SOL     H5    5   0.020816  -0.209792  -0.148410
+    1SOL     H6    6   0.002207  -0.087706  -0.235976
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003361   0.122810   0.167599
+    0SOL     H2    2  -0.066327   0.082146   0.219100
+    0SOL     H3    3  -0.042573   0.179148   0.105322
+    1SOL     O4    4   0.007541  -0.123139  -0.170943
+    1SOL     H5    5  -0.033413  -0.204941  -0.142774
+    1SOL     H6    6  -0.031571  -0.056160  -0.114851
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063118  -0.016908   0.199145
+    0SOL     H2    2  -0.079638  -0.020005   0.104912
+    0SOL     H3    3  -0.149489  -0.027531   0.239014
+    1SOL     O4    4   0.061717   0.018806  -0.197401
+    1SOL     H5    5   0.102954  -0.028700  -0.125255
+    1SOL     H6    6   0.134813   0.047442  -0.252166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006441   0.157937   0.135134
+    0SOL     H2    2  -0.037712   0.181737   0.047853
+    0SOL     H3    3  -0.052113   0.217873   0.194160
+    1SOL     O4    4   0.012553  -0.156587  -0.131367
+    1SOL     H5    5  -0.069029  -0.182603  -0.174144
+    1SOL     H6    6   0.063351  -0.237492  -0.125341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.172188  -0.050176   0.107266
+    0SOL     H2    2   0.153310  -0.141917   0.087528
+    0SOL     H3    3   0.263681  -0.050015   0.135396
+    1SOL     O4    4  -0.178115   0.057985  -0.112031
+    1SOL     H5    5  -0.132933   0.090641  -0.034221
+    1SOL     H6    6  -0.178617  -0.037135  -0.101341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.170545   0.083749   0.115929
+    0SOL     H2    2   0.259334   0.049101   0.124778
+    0SOL     H3    3   0.132671   0.034410   0.043173
+    1SOL     O4    4  -0.170909  -0.084724  -0.110211
+    1SOL     H5    5  -0.251915  -0.041075  -0.083847
+    1SOL     H6    6  -0.136344  -0.030418  -0.181052
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031908   0.072813  -0.217639
+    0SOL     H2    2   0.075500  -0.001189  -0.175382
+    0SOL     H3    3   0.008300   0.131138  -0.145506
+    1SOL     O4    4  -0.037493  -0.075840   0.211637
+    1SOL     H5    5   0.048893  -0.096520   0.175970
+    1SOL     H6    6  -0.035782   0.018890   0.225262
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.223343   0.023191   0.018946
+    0SOL     H2    2  -0.239851   0.103502   0.068341
+    0SOL     H3    3  -0.261677  -0.046248   0.072529
+    1SOL     O4    4   0.225036  -0.017678  -0.026774
+    1SOL     H5    5   0.304373  -0.060546   0.005324
+    1SOL     H6    6   0.153728  -0.075011   0.001341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.086443  -0.049348   0.208001
+    0SOL     H2    2   0.099013  -0.052608   0.302837
+    0SOL     H3    3  -0.007321  -0.064152   0.195698
+    1SOL     O4    4  -0.081457   0.055873  -0.217543
+    1SOL     H5    5  -0.016737  -0.010644  -0.194110
+    1SOL     H6    6  -0.155877   0.038281  -0.159972
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080071   0.013665  -0.215249
+    0SOL     H2    2  -0.087285   0.059023  -0.299230
+    0SOL     H3    3  -0.117813  -0.072812  -0.231360
+    1SOL     O4    4   0.076031  -0.009453   0.219150
+    1SOL     H5    5   0.155876   0.021884   0.176663
+    1SOL     H6    6   0.105875  -0.078425   0.278433
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.181166  -0.084355  -0.112669
+    0SOL     H2    2   0.216132  -0.173417  -0.109904
+    0SOL     H3    3   0.241088  -0.036824  -0.170222
+    1SOL     O4    4  -0.183327   0.087037   0.121228
+    1SOL     H5    5  -0.241452   0.149850   0.078352
+    1SOL     H6    6  -0.173704   0.016041   0.057752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.138833   0.026314  -0.196854
+    0SOL     H2    2   0.141308  -0.044830  -0.132864
+    0SOL     H3    3   0.230443   0.051687  -0.208086
+    1SOL     O4    4  -0.147774  -0.028316   0.197570
+    1SOL     H5    5  -0.173588   0.016989   0.117298
+    1SOL     H6    6  -0.058879   0.002584   0.215039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161665   0.125352   0.149118
+    0SOL     H2    2  -0.114307   0.117091   0.066346
+    0SOL     H3    3  -0.238480   0.069233   0.138523
+    1SOL     O4    4   0.160935  -0.115040  -0.145166
+    1SOL     H5    5   0.119254  -0.176665  -0.084937
+    1SOL     H6    6   0.237693  -0.161825  -0.178054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080688   0.227310  -0.085445
+    0SOL     H2    2   0.018253   0.275085  -0.140050
+    0SOL     H3    3   0.077275   0.271648  -0.000682
+    1SOL     O4    4  -0.078410  -0.236431   0.088764
+    1SOL     H5    5   0.008409  -0.215521   0.054302
+    1SOL     H6    6  -0.138994  -0.190197   0.030848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093182   0.056443   0.231316
+    0SOL     H2    2   0.028307   0.074942   0.299222
+    0SOL     H3    3   0.166337   0.114787   0.251483
+    1SOL     O4    4  -0.095553  -0.061748  -0.230719
+    1SOL     H5    5  -0.141396  -0.041796  -0.312344
+    1SOL     H6    6  -0.003184  -0.065926  -0.255474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.185643   0.120948  -0.171866
+    0SOL     H2    2  -0.092643   0.101035  -0.182670
+    0SOL     H3    3  -0.209276   0.168986  -0.251214
+    1SOL     O4    4   0.180588  -0.117416   0.174028
+    1SOL     H5    5   0.260571  -0.136273   0.223114
+    1SOL     H6    6   0.130202  -0.198699   0.178105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.152399  -0.159452   0.190305
+    0SOL     H2    2  -0.159226  -0.210344   0.109523
+    0SOL     H3    3  -0.094774  -0.086396   0.167846
+    1SOL     O4    4   0.146070   0.152720  -0.182209
+    1SOL     H5    5   0.235975   0.178909  -0.162372
+    1SOL     H6    6   0.109220   0.227336  -0.229505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002873  -0.291049   0.041406
+    0SOL     H2    2  -0.020043  -0.259361  -0.045961
+    0SOL     H3    3   0.080062  -0.240044   0.065954
+    1SOL     O4    4  -0.007873   0.289628  -0.033224
+    1SOL     H5    5   0.024699   0.200848  -0.048040
+    1SOL     H6    6  -0.007646   0.330066  -0.119982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.191030   0.028905   0.265141
+    0SOL     H2    2   0.113703   0.084736   0.273254
+    0SOL     H3    3   0.257769   0.085774   0.226747
+    1SOL     O4    4  -0.192412  -0.032372  -0.269318
+    1SOL     H5    5  -0.107135  -0.059636  -0.235453
+    1SOL     H6    6  -0.254149  -0.054687  -0.199655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153093   0.182578  -0.240132
+    0SOL     H2    2   0.185854   0.114652  -0.181182
+    0SOL     H3    3   0.077762   0.219832  -0.194309
+    1SOL     O4    4  -0.149421  -0.173982   0.236422
+    1SOL     H5    5  -0.235604  -0.215601   0.238061
+    1SOL     H6    6  -0.089569  -0.243775   0.209796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.348063   0.112915  -0.190591
+    0SOL     H2    2  -0.383395   0.047139  -0.250487
+    0SOL     H3    3  -0.340875   0.192274  -0.243628
+    1SOL     O4    4   0.355869  -0.112623   0.196789
+    1SOL     H5    5   0.290598  -0.050821   0.163887
+    1SOL     H6    6   0.304751  -0.187715   0.226964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.180549   0.146671   0.353191
+    0SOL     H2    2  -0.207115   0.227633   0.396800
+    0SOL     H3    3  -0.178393   0.169112   0.260164
+    1SOL     O4    4   0.179033  -0.152652  -0.344746
+    1SOL     H5    5   0.214531  -0.069117  -0.375146
+    1SOL     H6    6   0.190921  -0.212146  -0.418783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.155818   0.095470  -0.393853
+    0SOL     H2    2  -0.131152   0.059547  -0.479079
+    0SOL     H3    3  -0.237477   0.142592  -0.410396
+    1SOL     O4    4   0.156006  -0.090412   0.398600
+    1SOL     H5    5   0.250383  -0.105369   0.392962
+    1SOL     H6    6   0.119209  -0.176512   0.418478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.378803   0.151623   0.165158
+    0SOL     H2    2   0.469804   0.126825   0.181472
+    0SOL     H3    3   0.328173   0.099398   0.227379
+    1SOL     O4    4  -0.384086  -0.151675  -0.167336
+    1SOL     H5    5  -0.302289  -0.157551  -0.216703
+    1SOL     H6    6  -0.404350  -0.058143  -0.165512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.210870   0.301609  -0.291356
+    0SOL     H2    2  -0.150724   0.282316  -0.219436
+    0SOL     H3    3  -0.281803   0.238178  -0.280991
+    1SOL     O4    4   0.216873  -0.299009   0.291142
+    1SOL     H5    5   0.205811  -0.232911   0.222797
+    1SOL     H6    6   0.132036  -0.343086   0.295856
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135160  -0.308350  -0.384014
+    0SOL     H2    2  -0.076519  -0.245133  -0.425573
+    0SOL     H3    3  -0.082878  -0.347002  -0.313765
+    1SOL     O4    4   0.128770   0.309552   0.375722
+    1SOL     H5    5   0.053621   0.297348   0.433739
+    1SOL     H6    6   0.203567   0.277850   0.426345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.378195  -0.194272   0.283278
+    0SOL     H2    2   0.338424  -0.109732   0.304100
+    0SOL     H3    3   0.472334  -0.179309   0.292007
+    1SOL     O4    4  -0.375376   0.187972  -0.287137
+    1SOL     H5    5  -0.424285   0.140157  -0.220174
+    1SOL     H6    6  -0.428644   0.265464  -0.305016
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.354155   0.368960   0.005282
+    0SOL     H2    2  -0.317360   0.456507   0.017282
+    0SOL     H3    3  -0.410644   0.356020   0.081465
+    1SOL     O4    4   0.349242  -0.371008  -0.008105
+    1SOL     H5    5   0.423538  -0.315339  -0.031416
+    1SOL     H6    6   0.380542  -0.460246  -0.022913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.511802  -0.186939  -0.128127
+    0SOL     H2    2   0.516592  -0.241953  -0.049942
+    0SOL     H3    3   0.459772  -0.111282  -0.101085
+    1SOL     O4    4  -0.513514   0.190963   0.120339
+    1SOL     H5    5  -0.500020   0.107324   0.075789
+    1SOL     H6    6  -0.453590   0.188363   0.194935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.408900  -0.174781   0.437517
+    0SOL     H2    2   0.429921  -0.161857   0.530001
+    0SOL     H3    3   0.450502  -0.101011   0.392913
+    1SOL     O4    4  -0.415715   0.168439  -0.434982
+    1SOL     H5    5  -0.327499   0.205591  -0.434873
+    1SOL     H6    6  -0.439876   0.164247  -0.527508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.418509  -0.466732  -0.221657
+    0SOL     H2    2   0.419480  -0.505635  -0.309110
+    0SOL     H3    3   0.337436  -0.498703  -0.182067
+    1SOL     O4    4  -0.414085   0.475196   0.220874
+    1SOL     H5    5  -0.433557   0.474345   0.314589
+    1SOL     H6    6  -0.392701   0.384264   0.199980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.297172  -0.416689  -0.543035
+    0SOL     H2    2   0.319375  -0.496477  -0.591027
+    0SOL     H3    3   0.363641  -0.410671  -0.474421
+    1SOL     O4    4  -0.303379   0.417488   0.546513
+    1SOL     H5    5  -0.335825   0.406607   0.457120
+    1SOL     H6    6  -0.261140   0.503384   0.546425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.655570   0.277173  -0.335240
+    0SOL     H2    2  -0.586485   0.231981  -0.286791
+    0SOL     H3    3  -0.616826   0.361291  -0.359435
+    1SOL     O4    4   0.644710  -0.282165   0.334358
+    1SOL     H5    5   0.656463  -0.192190   0.303882
+    1SOL     H6    6   0.732839  -0.311278   0.357768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/490K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.796455   0.318578   0.526544
+    0SOL     H2    2   0.777618   0.241672   0.472758
+    0SOL     H3    3   0.891885   0.325918   0.525336
+    1SOL     O4    4  -0.802070  -0.314657  -0.517194
+    1SOL     H5    5  -0.851119  -0.368036  -0.579702
+    1SOL     H6    6  -0.738530  -0.267221  -0.570812
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085158   0.013912   0.085985
+    0SOL     H2    2  -0.135787   0.074687   0.139887
+    0SOL     H3    3  -0.137395  -0.066287   0.084727
+    1SOL     O4    4   0.097035  -0.015755  -0.086166
+    1SOL     H5    5   0.070466  -0.009242  -0.177893
+    1SOL     H6    6   0.023966   0.022094  -0.037271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113202   0.001862   0.066633
+    0SOL     H2    2   0.022211  -0.027428   0.061614
+    0SOL     H3    3   0.118126   0.050935   0.148670
+    1SOL     O4    4  -0.110605  -0.007522  -0.066418
+    1SOL     H5    5  -0.050610  -0.003009  -0.140867
+    1SOL     H6    6  -0.144964   0.081408  -0.057860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097600   0.079811   0.014400
+    0SOL     H2    2   0.173802   0.084998  -0.043294
+    0SOL     H3    3   0.045999   0.157553  -0.006949
+    1SOL     O4    4  -0.105516  -0.084540  -0.008913
+    1SOL     H5    5  -0.050899  -0.006054  -0.004531
+    1SOL     H6    6  -0.047638  -0.152114  -0.044214
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016329   0.077490   0.100108
+    0SOL     H2    2  -0.083359   0.028885   0.148138
+    0SOL     H3    3   0.053081   0.092461   0.164299
+    1SOL     O4    4   0.018618  -0.072532  -0.112319
+    1SOL     H5    5   0.017676  -0.033749  -0.024813
+    1SOL     H6    6  -0.019088  -0.159694  -0.100346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101075   0.017185   0.082703
+    0SOL     H2    2   0.183902  -0.024699   0.059301
+    0SOL     H3    3   0.096613   0.094580   0.026555
+    1SOL     O4    4  -0.110115  -0.014740  -0.076593
+    1SOL     H5    5  -0.038697  -0.043041  -0.019488
+    1SOL     H6    6  -0.098518  -0.065883  -0.156670
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102229  -0.056844   0.057084
+    0SOL     H2    2  -0.125433  -0.143351   0.023315
+    0SOL     H3    3  -0.053734  -0.074745   0.137645
+    1SOL     O4    4   0.101883   0.065951  -0.066078
+    1SOL     H5    5   0.024369   0.015323  -0.041773
+    1SOL     H6    6   0.159643   0.059399   0.009970
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050472  -0.106388  -0.067888
+    0SOL     H2    2  -0.145604  -0.116909  -0.069145
+    0SOL     H3    3  -0.036860  -0.011819  -0.062083
+    1SOL     O4    4   0.054367   0.098814   0.073626
+    1SOL     H5    5   0.117684   0.074290   0.006157
+    1SOL     H6    6   0.007916   0.173954   0.036768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060761   0.001733  -0.127947
+    0SOL     H2    2  -0.142672  -0.043917  -0.108734
+    0SOL     H3    3  -0.010500  -0.003928  -0.046682
+    1SOL     O4    4   0.063006  -0.001579   0.116541
+    1SOL     H5    5   0.039900  -0.046458   0.197870
+    1SOL     H6    6   0.075571   0.089759   0.142268
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014680  -0.142967   0.004185
+    0SOL     H2    2   0.006219  -0.047711   0.000073
+    0SOL     H3    3   0.103506  -0.157793   0.036626
+    1SOL     O4    4  -0.014724   0.133272  -0.004857
+    1SOL     H5    5  -0.029588   0.179955  -0.087089
+    1SOL     H6    6  -0.078607   0.170645   0.055842
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063606   0.025098  -0.126877
+    0SOL     H2    2   0.026116   0.010550  -0.040014
+    0SOL     H3    3  -0.007479   0.064565  -0.177392
+    1SOL     O4    4  -0.051319  -0.031698   0.123820
+    1SOL     H5    5  -0.145096  -0.047980   0.113661
+    1SOL     H6    6  -0.045548   0.060493   0.148918
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103712  -0.045137   0.094460
+    0SOL     H2    2  -0.043575  -0.022309   0.165345
+    0SOL     H3    3  -0.067174  -0.002061   0.017183
+    1SOL     O4    4   0.091345   0.043915  -0.093007
+    1SOL     H5    5   0.142187  -0.019613  -0.042592
+    1SOL     H6    6   0.149471   0.069860  -0.164495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039228   0.026579  -0.136413
+    0SOL     H2    2   0.005500  -0.000975  -0.056397
+    0SOL     H3    3   0.030778   0.058925  -0.193116
+    1SOL     O4    4   0.031668  -0.032900   0.132297
+    1SOL     H5    5  -0.027782   0.040467   0.147958
+    1SOL     H6    6   0.115657  -0.003722   0.167748
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112849   0.089215   0.013866
+    0SOL     H2    2   0.059910   0.013115   0.037713
+    0SOL     H3    3   0.152294   0.117783   0.096270
+    1SOL     O4    4  -0.113230  -0.084031  -0.014680
+    1SOL     H5    5  -0.078214  -0.171170  -0.033205
+    1SOL     H6    6  -0.125113  -0.044122  -0.100868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.081463   0.115072  -0.045482
+    0SOL     H2    2  -0.009495   0.059188  -0.016157
+    0SOL     H3    3  -0.160123   0.073252  -0.010469
+    1SOL     O4    4   0.082422  -0.102520   0.039948
+    1SOL     H5    5   0.057298  -0.142010   0.123445
+    1SOL     H6    6   0.101563  -0.177010  -0.017035
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117076  -0.044917   0.064865
+    0SOL     H2    2   0.098161   0.017612   0.134827
+    0SOL     H3    3   0.196381  -0.011117   0.023262
+    1SOL     O4    4  -0.119645   0.044598  -0.069147
+    1SOL     H5    5  -0.204832   0.006443  -0.047941
+    1SOL     H6    6  -0.056518  -0.023911  -0.047152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123833  -0.061105  -0.007356
+    0SOL     H2    2   0.155616  -0.021858  -0.088669
+    0SOL     H3    3   0.199930  -0.060962   0.050708
+    1SOL     O4    4  -0.135427   0.060111   0.012051
+    1SOL     H5    5  -0.074134  -0.010159   0.033677
+    1SOL     H6    6  -0.100557   0.098450  -0.068426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.048133   0.118087  -0.066889
+    0SOL     H2    2   0.111515   0.068407  -0.118629
+    0SOL     H3    3  -0.030158   0.121674  -0.121842
+    1SOL     O4    4  -0.047767  -0.115693   0.079140
+    1SOL     H5    5  -0.031582  -0.042746   0.019315
+    1SOL     H6    6  -0.054510  -0.192361   0.022228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.069449  -0.104382  -0.057636
+    0SOL     H2    2  -0.034510  -0.191342  -0.038155
+    0SOL     H3    3  -0.135351  -0.119617  -0.125364
+    1SOL     O4    4   0.072694   0.113322   0.055060
+    1SOL     H5    5   0.100725   0.129497   0.145144
+    1SOL     H6    6   0.013898   0.038053   0.061370
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098299   0.101795   0.040436
+    0SOL     H2    2  -0.190843   0.081656   0.026569
+    0SOL     H3    3  -0.051555   0.027968   0.001359
+    1SOL     O4    4   0.103332  -0.090439  -0.041004
+    1SOL     H5    5   0.125081  -0.114178   0.049139
+    1SOL     H6    6   0.047083  -0.161567  -0.071648
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063500  -0.126650  -0.030584
+    0SOL     H2    2  -0.152794  -0.145802  -0.001912
+    0SOL     H3    3  -0.072501  -0.050488  -0.087861
+    1SOL     O4    4   0.067461   0.129033   0.028816
+    1SOL     H5    5   0.143810   0.102761   0.080225
+    1SOL     H6    6   0.006732   0.055470   0.036729
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133549  -0.045749   0.053037
+    0SOL     H2    2  -0.158189  -0.107679  -0.015664
+    0SOL     H3    3  -0.045714  -0.016550   0.028650
+    1SOL     O4    4   0.122568   0.044550  -0.049039
+    1SOL     H5    5   0.149236   0.136469  -0.047557
+    1SOL     H6    6   0.201484  -0.003732  -0.024474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.138963   0.014093  -0.050358
+    0SOL     H2    2   0.132500  -0.080296  -0.035821
+    0SOL     H3    3   0.148826   0.051255   0.037300
+    1SOL     O4    4  -0.145415  -0.011790   0.042952
+    1SOL     H5    5  -0.109605   0.047087   0.109386
+    1SOL     H6    6  -0.069541  -0.060221   0.010397
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051852  -0.033518  -0.128093
+    0SOL     H2    2  -0.141043  -0.038071  -0.093647
+    0SOL     H3    3  -0.049983  -0.098328  -0.198510
+    1SOL     O4    4   0.060359   0.034781   0.135064
+    1SOL     H5    5   0.031424   0.125904   0.130398
+    1SOL     H6    6   0.025983  -0.005429   0.055291
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006192  -0.062156  -0.130064
+    0SOL     H2    2  -0.012144   0.015721  -0.185400
+    0SOL     H3    3   0.080968  -0.097554  -0.147744
+    1SOL     O4    4  -0.000583   0.055999   0.138987
+    1SOL     H5    5   0.005334   0.037183   0.045321
+    1SOL     H6    6   0.032195   0.145518   0.147600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116411   0.063881  -0.048973
+    0SOL     H2    2   0.117262   0.113302  -0.130943
+    0SOL     H3    3   0.190429   0.098643   0.000779
+    1SOL     O4    4  -0.127852  -0.068495   0.052253
+    1SOL     H5    5  -0.086467  -0.070673  -0.034031
+    1SOL     H6    6  -0.054689  -0.065237   0.113887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083889   0.055763  -0.104169
+    0SOL     H2    2  -0.053231   0.105686  -0.179866
+    0SOL     H3    3  -0.112048   0.122278  -0.041359
+    1SOL     O4    4   0.082518  -0.063153   0.111442
+    1SOL     H5    5   0.017918  -0.071388   0.041289
+    1SOL     H6    6   0.163287  -0.037702   0.066823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106638  -0.027315   0.096894
+    0SOL     H2    2  -0.133534   0.051993   0.143255
+    0SOL     H3    3  -0.175568  -0.041761   0.032069
+    1SOL     O4    4   0.113224   0.027872  -0.101289
+    1SOL     H5    5   0.126171   0.045936  -0.008185
+    1SOL     H6    6   0.087426  -0.064251  -0.104500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079934  -0.085439  -0.102752
+    0SOL     H2    2  -0.011279  -0.058722  -0.163867
+    0SOL     H3    3  -0.062877  -0.034307  -0.023651
+    1SOL     O4    4   0.074578   0.084071   0.095985
+    1SOL     H5    5   0.141150   0.020632   0.122553
+    1SOL     H6    6   0.016719   0.091355   0.171890
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.145850   0.032086  -0.039769
+    0SOL     H2    2   0.134310   0.118063  -0.080231
+    0SOL     H3    3   0.059033  -0.008051  -0.043521
+    1SOL     O4    4  -0.138327  -0.039601   0.046977
+    1SOL     H5    5  -0.165175  -0.053565  -0.043833
+    1SOL     H6    6  -0.139686   0.055466   0.058057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015408   0.057355   0.138877
+    0SOL     H2    2  -0.058201   0.140211   0.160461
+    0SOL     H3    3   0.048115   0.080122   0.070989
+    1SOL     O4    4   0.020369  -0.065664  -0.138641
+    1SOL     H5    5  -0.034043   0.010859  -0.157238
+    1SOL     H6    6  -0.029604  -0.115502  -0.073979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119613  -0.002679   0.093472
+    0SOL     H2    2  -0.093683  -0.018686   0.002732
+    0SOL     H3    3  -0.213317   0.016262   0.088669
+    1SOL     O4    4   0.120090   0.007513  -0.088523
+    1SOL     H5    5   0.202971  -0.003035  -0.041811
+    1SOL     H6    6   0.102051  -0.079026  -0.125236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025518   0.090194  -0.111473
+    0SOL     H2    2  -0.008364   0.184351  -0.109873
+    0SOL     H3    3  -0.039656   0.069945  -0.203952
+    1SOL     O4    4   0.028742  -0.093812   0.121975
+    1SOL     H5    5  -0.012721  -0.170934   0.083305
+    1SOL     H6    6   0.009983  -0.023030   0.060328
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136481   0.041473  -0.067236
+    0SOL     H2    2  -0.055678   0.001148  -0.035501
+    0SOL     H3    3  -0.138746   0.127264  -0.024841
+    1SOL     O4    4   0.132842  -0.038076   0.063595
+    1SOL     H5    5   0.141180  -0.090638  -0.015967
+    1SOL     H6    6   0.105114  -0.100407   0.130740
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033095  -0.151766  -0.015555
+    0SOL     H2    2  -0.058679  -0.126796  -0.004773
+    0SOL     H3    3   0.073204  -0.132990   0.069304
+    1SOL     O4    4  -0.033673   0.153259   0.006850
+    1SOL     H5    5  -0.016987   0.156970   0.101031
+    1SOL     H6    6   0.015558   0.076890  -0.023255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122811   0.050349   0.081103
+    0SOL     H2    2  -0.063284   0.023454   0.011135
+    0SOL     H3    3  -0.182922  -0.023460   0.091166
+    1SOL     O4    4   0.117373  -0.048519  -0.077119
+    1SOL     H5    5   0.179198  -0.011318  -0.014221
+    1SOL     H6    6   0.153255  -0.025158  -0.162728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.115237  -0.021869   0.089797
+    0SOL     H2    2   0.115422  -0.089554   0.157480
+    0SOL     H3    3   0.171583   0.047169   0.124743
+    1SOL     O4    4  -0.117760   0.020932  -0.102122
+    1SOL     H5    5  -0.064153  -0.019764  -0.034060
+    1SOL     H6    6  -0.183320   0.071445  -0.054033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076886  -0.075544   0.105779
+    0SOL     H2    2   0.063871  -0.167666   0.083272
+    0SOL     H3    3   0.170092  -0.060036   0.090470
+    1SOL     O4    4  -0.087327   0.078243  -0.104356
+    1SOL     H5    5  -0.044978   0.158519  -0.134763
+    1SOL     H6    6  -0.017896   0.030002  -0.059473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148374   0.002801   0.039939
+    0SOL     H2    2   0.100862  -0.079664   0.050166
+    0SOL     H3    3   0.174793   0.026461   0.128847
+    1SOL     O4    4  -0.152959  -0.001301  -0.045345
+    1SOL     H5    5  -0.126501   0.073786  -0.098488
+    1SOL     H6    6  -0.071049  -0.035196  -0.009230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098434  -0.096035  -0.074838
+    0SOL     H2    2  -0.173606  -0.131388  -0.027281
+    0SOL     H3    3  -0.041054  -0.061245  -0.006578
+    1SOL     O4    4   0.098113   0.102786   0.066178
+    1SOL     H5    5   0.141920   0.038545   0.010353
+    1SOL     H6    6   0.083517   0.056766   0.148830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072237   0.106020  -0.089759
+    0SOL     H2    2  -0.041944   0.021836  -0.055735
+    0SOL     H3    3  -0.094849   0.088269  -0.181061
+    1SOL     O4    4   0.067195  -0.102672   0.089903
+    1SOL     H5    5   0.156921  -0.081454   0.064186
+    1SOL     H6    6   0.060666  -0.073223   0.180746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082452   0.126345   0.000816
+    0SOL     H2    2  -0.144711   0.139387   0.072342
+    0SOL     H3    3  -0.136987   0.119791  -0.077576
+    1SOL     O4    4   0.090685  -0.133220  -0.001535
+    1SOL     H5    5   0.031701  -0.082030  -0.056878
+    1SOL     H6    6   0.114468  -0.073769   0.069614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003292   0.024597  -0.154638
+    0SOL     H2    2   0.029840   0.092969  -0.212861
+    0SOL     H3    3   0.011420   0.058922  -0.066504
+    1SOL     O4    4   0.001818  -0.024227   0.152564
+    1SOL     H5    5   0.058752  -0.096051   0.180173
+    1SOL     H6    6  -0.079641  -0.066979   0.126124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137618  -0.048954  -0.069458
+    0SOL     H2    2  -0.110660  -0.101796   0.005664
+    0SOL     H3    3  -0.197900   0.015775  -0.032872
+    1SOL     O4    4   0.138160   0.043434   0.065701
+    1SOL     H5    5   0.102504   0.066147  -0.020177
+    1SOL     H6    6   0.199492   0.114154   0.085690
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096462  -0.129200   0.042720
+    0SOL     H2    2  -0.070571  -0.069333  -0.027336
+    0SOL     H3    3  -0.116876  -0.072087   0.116772
+    1SOL     O4    4   0.097556   0.116925  -0.043244
+    1SOL     H5    5   0.039722   0.169434  -0.098564
+    1SOL     H6    6   0.130628   0.178502   0.022153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.155771   0.045626  -0.038211
+    0SOL     H2    2  -0.064825   0.065601  -0.016027
+    0SOL     H3    3  -0.207387   0.094112   0.026188
+    1SOL     O4    4   0.151428  -0.050128   0.027195
+    1SOL     H5    5   0.237713  -0.031322   0.064122
+    1SOL     H6    6   0.093110  -0.053598   0.103019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.141905   0.035632  -0.075442
+    0SOL     H2    2   0.111724   0.081309  -0.153960
+    0SOL     H3    3   0.139318  -0.057076  -0.099123
+    1SOL     O4    4  -0.140267  -0.038926   0.083174
+    1SOL     H5    5  -0.082546   0.031327   0.113094
+    1SOL     H6    6  -0.194414   0.001689   0.015492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046570   0.140805   0.079030
+    0SOL     H2    2   0.118154   0.198695   0.052824
+    0SOL     H3    3   0.080744   0.052504   0.064979
+    1SOL     O4    4  -0.054739  -0.132538  -0.077789
+    1SOL     H5    5   0.028425  -0.165705  -0.043938
+    1SOL     H6    6  -0.106735  -0.211072  -0.094854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005662  -0.038960  -0.164828
+    0SOL     H2    2   0.019253  -0.089237  -0.087279
+    0SOL     H3    3   0.059716  -0.062443  -0.230680
+    1SOL     O4    4  -0.004781   0.040555   0.169124
+    1SOL     H5    5   0.044365  -0.008579   0.103300
+    1SOL     H6    6   0.027571   0.130292   0.161194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084172   0.113636   0.099787
+    0SOL     H2    2   0.113694   0.109750   0.190758
+    0SOL     H3    3   0.117154   0.032878   0.060383
+    1SOL     O4    4  -0.093690  -0.109783  -0.099588
+    1SOL     H5    5  -0.029855  -0.168264  -0.140422
+    1SOL     H6    6  -0.060006  -0.021825  -0.116647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.174354   0.028772   0.036408
+    0SOL     H2    2   0.137152  -0.059406   0.034693
+    0SOL     H3    3   0.106663   0.084139  -0.002512
+    1SOL     O4    4  -0.165615  -0.031232  -0.038001
+    1SOL     H5    5  -0.166661  -0.032365   0.057707
+    1SOL     H6    6  -0.214171   0.047811  -0.061598
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.087969   0.143882   0.067682
+    0SOL     H2    2   0.009351   0.125028   0.118927
+    0SOL     H3    3   0.055704   0.158614  -0.021224
+    1SOL     O4    4  -0.080395  -0.149353  -0.062122
+    1SOL     H5    5  -0.136968  -0.139349  -0.138684
+    1SOL     H6    6  -0.046797  -0.061290  -0.045438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076022  -0.126142  -0.103831
+    0SOL     H2    2   0.023331  -0.159853  -0.176285
+    0SOL     H3    3   0.076566  -0.031287  -0.116656
+    1SOL     O4    4  -0.074376   0.128871   0.109576
+    1SOL     H5    5   0.012073   0.088009   0.113964
+    1SOL     H6    6  -0.134149   0.056582   0.090504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.100723   0.115294   0.104066
+    0SOL     H2    2   0.017893   0.090517   0.145146
+    0SOL     H3    3   0.154817   0.036527   0.109709
+    1SOL     O4    4  -0.101139  -0.110350  -0.113211
+    1SOL     H5    5  -0.034161  -0.153891  -0.060481
+    1SOL     H6    6  -0.130415  -0.037049  -0.059061
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079878   0.119695  -0.100645
+    0SOL     H2    2  -0.161319   0.136785  -0.053341
+    0SOL     H3    3  -0.076309   0.187904  -0.167705
+    1SOL     O4    4   0.078037  -0.125340   0.104006
+    1SOL     H5    5   0.107275  -0.099125   0.016712
+    1SOL     H6    6   0.158922  -0.141832   0.152461
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004971   0.002087  -0.175093
+    0SOL     H2    2  -0.089553  -0.021946  -0.212915
+    0SOL     H3    3   0.057996  -0.012983  -0.245594
+    1SOL     O4    4   0.007407  -0.002971   0.188361
+    1SOL     H5    5  -0.048658  -0.031540   0.116230
+    1SOL     H6    6   0.046547   0.078721   0.157431
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133290   0.027101   0.126101
+    0SOL     H2    2   0.209871   0.084463   0.128780
+    0SOL     H3    3   0.103625   0.030903   0.035174
+    1SOL     O4    4  -0.131899  -0.024957  -0.120259
+    1SOL     H5    5  -0.137284  -0.102884  -0.064936
+    1SOL     H6    6  -0.194613  -0.041175  -0.190731
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025154   0.174038   0.049589
+    0SOL     H2    2   0.021762   0.213304   0.123206
+    0SOL     H3    3  -0.116952   0.174378   0.076707
+    1SOL     O4    4   0.022415  -0.177746  -0.060499
+    1SOL     H5    5   0.047542  -0.231822   0.014380
+    1SOL     H6    6   0.067948  -0.094722  -0.046498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122448  -0.026369  -0.132277
+    0SOL     H2    2   0.169436  -0.077568  -0.066451
+    0SOL     H3    3   0.163579  -0.050472  -0.215281
+    1SOL     O4    4  -0.132828   0.032299   0.129521
+    1SOL     H5    5  -0.120623  -0.051561   0.174027
+    1SOL     H6    6  -0.051555   0.080169   0.145817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.166065   0.007169  -0.097536
+    0SOL     H2    2   0.115568   0.025123  -0.018227
+    0SOL     H3    3   0.183428   0.093527  -0.134995
+    1SOL     O4    4  -0.164676  -0.016756   0.090282
+    1SOL     H5    5  -0.174658   0.078241   0.084106
+    1SOL     H6    6  -0.145966  -0.032961   0.182746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125025  -0.025046   0.137602
+    0SOL     H2    2   0.205392  -0.004651   0.089773
+    0SOL     H3    3   0.120539   0.041350   0.206404
+    1SOL     O4    4  -0.129357   0.024563  -0.134707
+    1SOL     H5    5  -0.093254  -0.063654  -0.125954
+    1SOL     H6    6  -0.167242   0.026379  -0.222592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030420   0.160485   0.099420
+    0SOL     H2    2  -0.046376   0.206073   0.064978
+    0SOL     H3    3   0.014198   0.153864   0.193523
+    1SOL     O4    4  -0.029634  -0.159024  -0.104040
+    1SOL     H5    5   0.047097  -0.143294  -0.049019
+    1SOL     H6    6  -0.017772  -0.248161  -0.136848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091745   0.074602   0.159358
+    0SOL     H2    2  -0.088297   0.109967   0.248239
+    0SOL     H3    3  -0.027523   0.126112   0.110526
+    1SOL     O4    4   0.087513  -0.077839  -0.155020
+    1SOL     H5    5   0.024221  -0.072827  -0.226653
+    1SOL     H6    6   0.170458  -0.099236  -0.197737
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076397   0.052832  -0.178868
+    0SOL     H2    2   0.003007  -0.008214  -0.185905
+    0SOL     H3    3   0.153158   0.000950  -0.202917
+    1SOL     O4    4  -0.082781  -0.045749   0.179603
+    1SOL     H5    5  -0.034182  -0.121155   0.146219
+    1SOL     H6    6  -0.018150   0.004338   0.229367
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.170535   0.100614   0.049846
+    0SOL     H2    2  -0.145417   0.191163   0.031615
+    0SOL     H3    3  -0.165808   0.056824  -0.035139
+    1SOL     O4    4   0.168936  -0.107712  -0.049280
+    1SOL     H5    5   0.234824  -0.042124  -0.026495
+    1SOL     H6    6   0.100935  -0.097560   0.017317
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074869   0.154157  -0.108162
+    0SOL     H2    2  -0.079618   0.226375  -0.045517
+    0SOL     H3    3  -0.005701   0.179806  -0.169156
+    1SOL     O4    4   0.074359  -0.165532   0.108922
+    1SOL     H5    5   0.052054  -0.100024   0.175054
+    1SOL     H6    6   0.038357  -0.130570   0.027412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.153928   0.147400  -0.039723
+    0SOL     H2    2  -0.090772   0.095523  -0.089547
+    0SOL     H3    3  -0.109943   0.165435   0.043358
+    1SOL     O4    4   0.149380  -0.150981   0.041350
+    1SOL     H5    5   0.214764  -0.091659   0.004361
+    1SOL     H6    6   0.065316  -0.112701   0.016247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.115401   0.152124   0.105773
+    0SOL     H2    2   0.023397   0.132380   0.123317
+    0SOL     H3    3   0.151271   0.070459   0.071040
+    1SOL     O4    4  -0.117895  -0.145655  -0.102913
+    1SOL     H5    5  -0.048311  -0.194866  -0.059340
+    1SOL     H6    6  -0.079155  -0.117615  -0.185830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065394   0.046988  -0.196412
+    0SOL     H2    2  -0.097350   0.109378  -0.261593
+    0SOL     H3    3   0.028089   0.066074  -0.188732
+    1SOL     O4    4   0.064245  -0.047191   0.196677
+    1SOL     H5    5   0.104725  -0.128074   0.228008
+    1SOL     H6    6  -0.026987  -0.053498   0.224949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.178173   0.109902  -0.037333
+    0SOL     H2    2   0.186117   0.205245  -0.034356
+    0SOL     H3    3   0.244981   0.078342   0.023519
+    1SOL     O4    4  -0.179640  -0.110730   0.028902
+    1SOL     H5    5  -0.262203  -0.158905   0.023925
+    1SOL     H6    6  -0.154462  -0.115724   0.121116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.229707  -0.005998  -0.037273
+    0SOL     H2    2   0.178163   0.026215  -0.111219
+    0SOL     H3    3   0.165260  -0.022376   0.031580
+    1SOL     O4    4  -0.227465   0.002612   0.032402
+    1SOL     H5    5  -0.245623   0.036825   0.119936
+    1SOL     H6    6  -0.132168   0.006633   0.024356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051826   0.151629  -0.159281
+    0SOL     H2    2  -0.147111   0.159324  -0.164174
+    0SOL     H3    3  -0.026573   0.210850  -0.088447
+    1SOL     O4    4   0.060550  -0.151765   0.154568
+    1SOL     H5    5   0.003369  -0.189685   0.087824
+    1SOL     H6    6   0.025321  -0.184050   0.237508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001612   0.213019  -0.084669
+    0SOL     H2    2   0.034041   0.301982  -0.070656
+    0SOL     H3    3   0.048043   0.160062  -0.019846
+    1SOL     O4    4  -0.006644  -0.210085   0.085377
+    1SOL     H5    5  -0.062618  -0.231302   0.010683
+    1SOL     H6    6   0.065925  -0.272215   0.079399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128173  -0.037939  -0.186404
+    0SOL     H2    2  -0.150114   0.001051  -0.271025
+    0SOL     H3    3  -0.170242   0.019100  -0.122068
+    1SOL     O4    4   0.130055   0.026369   0.185139
+    1SOL     H5    5   0.081284   0.108431   0.178103
+    1SOL     H6    6   0.208641   0.049333   0.234731
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.121802  -0.196524   0.054386
+    0SOL     H2    2   0.169148  -0.180457   0.136010
+    0SOL     H3    3   0.063553  -0.121127   0.045189
+    1SOL     O4    4  -0.127348   0.190846  -0.058874
+    1SOL     H5    5  -0.057540   0.144287  -0.012817
+    1SOL     H6    6  -0.086561   0.272323  -0.088205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153441  -0.199943   0.037488
+    0SOL     H2    2   0.178187  -0.217625  -0.053272
+    0SOL     H3    3   0.057783  -0.203409   0.037391
+    1SOL     O4    4  -0.146387   0.206007  -0.028750
+    1SOL     H5    5  -0.232128   0.199893  -0.070862
+    1SOL     H6    6  -0.103899   0.122560  -0.048591
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027116   0.146643  -0.203489
+    0SOL     H2    2   0.031992   0.238910  -0.228495
+    0SOL     H3    3  -0.065211   0.123738  -0.214145
+    1SOL     O4    4  -0.019258  -0.151936   0.212221
+    1SOL     H5    5  -0.042669  -0.070371   0.167934
+    1SOL     H6    6  -0.039370  -0.220471   0.148497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019638  -0.221194  -0.137159
+    0SOL     H2    2   0.049363  -0.298751  -0.184737
+    0SOL     H3    3  -0.070321  -0.207760  -0.166979
+    1SOL     O4    4  -0.014290   0.222856   0.146937
+    1SOL     H5    5  -0.074320   0.294560   0.126509
+    1SOL     H6    6   0.010300   0.187100   0.061619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.167873  -0.202452   0.101045
+    0SOL     H2    2   0.120543  -0.166518   0.176084
+    0SOL     H3    3   0.141229  -0.147523   0.027321
+    1SOL     O4    4  -0.157973   0.199983  -0.100956
+    1SOL     H5    5  -0.214105   0.186376  -0.177287
+    1SOL     H6    6  -0.208274   0.164663  -0.027575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.175349  -0.234737  -0.033576
+    0SOL     H2    2   0.229247  -0.237945   0.045462
+    0SOL     H3    3   0.135241  -0.147844  -0.031761
+    1SOL     O4    4  -0.172798   0.232179   0.034407
+    1SOL     H5    5  -0.190983   0.282811  -0.044763
+    1SOL     H6    6  -0.212610   0.146709   0.017907
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039873   0.244535   0.148093
+    0SOL     H2    2   0.065304   0.282146   0.063826
+    0SOL     H3    3  -0.015227   0.311500   0.188614
+    1SOL     O4    4  -0.037310  -0.244065  -0.147514
+    1SOL     H5    5   0.023874  -0.297864  -0.097269
+    1SOL     H6    6  -0.112484  -0.301275  -0.162948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.173454   0.162587  -0.181021
+    0SOL     H2    2   0.156796   0.165371  -0.086803
+    0SOL     H3    3   0.268008   0.175130  -0.189056
+    1SOL     O4    4  -0.174871  -0.168048   0.179666
+    1SOL     H5    5  -0.135836  -0.120484   0.106343
+    1SOL     H6    6  -0.263300  -0.132185   0.187183
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.172739  -0.061312   0.262326
+    0SOL     H2    2  -0.119486  -0.054658   0.341585
+    0SOL     H3    3  -0.159878   0.022374   0.217676
+    1SOL     O4    4   0.169532   0.057925  -0.271218
+    1SOL     H5    5   0.230376   0.004191  -0.220493
+    1SOL     H6    6   0.104784   0.087689  -0.207310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041996  -0.275168  -0.231717
+    0SOL     H2    2  -0.036879  -0.182476  -0.208388
+    0SOL     H3    3  -0.089858  -0.315532  -0.159314
+    1SOL     O4    4   0.045093   0.266395   0.223748
+    1SOL     H5    5  -0.029617   0.325133   0.212318
+    1SOL     H6    6   0.103975   0.313632   0.282602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041100   0.193628  -0.301437
+    0SOL     H2    2  -0.114798   0.180670  -0.241745
+    0SOL     H3    3  -0.078121   0.242334  -0.375054
+    1SOL     O4    4   0.043824  -0.198571   0.297381
+    1SOL     H5    5   0.125642  -0.227291   0.337920
+    1SOL     H6    6   0.023213  -0.115853   0.340916
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.350134   0.067112  -0.238566
+    0SOL     H2    2  -0.434455   0.111298  -0.248560
+    0SOL     H3    3  -0.290968   0.114880  -0.296702
+    1SOL     O4    4   0.348129  -0.067240   0.239231
+    1SOL     H5    5   0.341039  -0.097185   0.329870
+    1SOL     H6    6   0.416544  -0.122242   0.201067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.326284  -0.009251  -0.310937
+    0SOL     H2    2   0.281551   0.034939  -0.238767
+    0SOL     H3    3   0.414407  -0.026320  -0.277694
+    1SOL     O4    4  -0.334696   0.009232   0.305534
+    1SOL     H5    5  -0.261301   0.070580   0.308978
+    1SOL     H6    6  -0.293660  -0.076832   0.297085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.489412  -0.030814   0.369242
+    0SOL     H2    2   0.539014   0.050199   0.357461
+    0SOL     H3    3   0.398062  -0.002581   0.373759
+    1SOL     O4    4  -0.483615   0.020706  -0.372998
+    1SOL     H5    5  -0.558420   0.076288  -0.394842
+    1SOL     H6    6  -0.467511   0.037536  -0.280156
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.410761  -0.068435   0.521579
+    0SOL     H2    2  -0.461255  -0.043985   0.444024
+    0SOL     H3    3  -0.355384   0.007642   0.539128
+    1SOL     O4    4   0.405646   0.060719  -0.522387
+    1SOL     H5    5   0.395475   0.085137  -0.430394
+    1SOL     H6    6   0.498866   0.073005  -0.540313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.535188  -0.173581   0.436543
+    0SOL     H2    2  -0.609311  -0.231442   0.454435
+    0SOL     H3    3  -0.466356  -0.203721   0.495840
+    1SOL     O4    4   0.536568   0.178915  -0.435278
+    1SOL     H5    5   0.498727   0.250243  -0.486684
+    1SOL     H6    6   0.549790   0.108210  -0.498431
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/500K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.677144   0.392107   0.152700
+    0SOL     H2    2   0.706994   0.451431   0.221635
+    0SOL     H3    3   0.582055   0.402975   0.151199
+    1SOL     O4    4  -0.680290  -0.394468  -0.158340
+    1SOL     H5    5  -0.654892  -0.436261  -0.076057
+    1SOL     H6    6  -0.597317  -0.372705  -0.200815
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065184   0.090394  -0.054500
+    0SOL     H2    2   0.129938   0.068566   0.012528
+    0SOL     H3    3   0.112774   0.082835  -0.137207
+    1SOL     O4    4  -0.077912  -0.090052   0.055438
+    1SOL     H5    5  -0.032668  -0.042940  -0.014531
+    1SOL     H6    6  -0.008703  -0.113392   0.117306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.049002   0.013658  -0.123269
+    0SOL     H2    2   0.004851   0.008689  -0.038485
+    0SOL     H3    3   0.112015  -0.058380  -0.121771
+    1SOL     O4    4  -0.045091  -0.012720   0.112516
+    1SOL     H5    5  -0.131167   0.025167   0.094687
+    1SOL     H6    6  -0.028830   0.007000   0.204760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013560   0.106989   0.062207
+    0SOL     H2    2  -0.088336   0.143554   0.014944
+    0SOL     H3    3  -0.019416   0.145314   0.149724
+    1SOL     O4    4   0.021735  -0.116316  -0.065301
+    1SOL     H5    5  -0.040170  -0.081391  -0.129412
+    1SOL     H6    6   0.013817  -0.057815   0.010046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001666   0.044758  -0.129419
+    0SOL     H2    2  -0.000479   0.026675  -0.035430
+    0SOL     H3    3   0.090280   0.040938  -0.155756
+    1SOL     O4    4  -0.006138  -0.043599   0.119552
+    1SOL     H5    5  -0.048804  -0.009328   0.198086
+    1SOL     H6    6   0.079031  -0.074762   0.150171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074540   0.021866   0.103660
+    0SOL     H2    2  -0.034995  -0.030384   0.173435
+    0SOL     H3    3  -0.142319   0.073219   0.147605
+    1SOL     O4    4   0.078915  -0.023615  -0.115291
+    1SOL     H5    5   0.003504  -0.065653  -0.073960
+    1SOL     H6    6   0.099893   0.049958  -0.057765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094781  -0.074911  -0.050043
+    0SOL     H2    2  -0.124655  -0.080386  -0.140817
+    0SOL     H3    3  -0.078145  -0.165713  -0.024735
+    1SOL     O4    4   0.102296   0.080829   0.052358
+    1SOL     H5    5   0.045205   0.009441   0.023955
+    1SOL     H6    6   0.044801   0.139380   0.101638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035746  -0.029879   0.123257
+    0SOL     H2    2  -0.065237   0.018108   0.200651
+    0SOL     H3    3  -0.108027  -0.089209   0.102820
+    1SOL     O4    4   0.039501   0.025435  -0.131027
+    1SOL     H5    5   0.003832   0.042591  -0.043873
+    1SOL     H6    6   0.108287   0.091064  -0.142152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059345   0.075489  -0.089172
+    0SOL     H2    2  -0.119873   0.135950  -0.132103
+    0SOL     H3    3  -0.000261   0.047112  -0.158930
+    1SOL     O4    4   0.062122  -0.082548   0.093420
+    1SOL     H5    5   0.036816  -0.070252   0.184911
+    1SOL     H6    6   0.036804  -0.000907   0.050337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095657   0.092969  -0.013656
+    0SOL     H2    2   0.179947   0.089753   0.031591
+    0SOL     H3    3   0.046366   0.160990   0.032233
+    1SOL     O4    4  -0.098946  -0.103656   0.005902
+    1SOL     H5    5  -0.014993  -0.058623  -0.003388
+    1SOL     H6    6  -0.154678  -0.041191   0.052317
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.105162  -0.080264   0.014380
+    0SOL     H2    2  -0.155496  -0.109299  -0.061685
+    0SOL     H3    3  -0.168890  -0.034649   0.069338
+    1SOL     O4    4   0.112392   0.085033  -0.010083
+    1SOL     H5    5   0.043494   0.019395   0.000264
+    1SOL     H6    6   0.170558   0.048468  -0.076732
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.032347   0.069978   0.117989
+    0SOL     H2    2   0.044403   0.116608   0.151116
+    0SOL     H3    3   0.002111   0.012627   0.049537
+    1SOL     O4    4   0.024556  -0.071756  -0.109842
+    1SOL     H5    5   0.092549  -0.103171  -0.169444
+    1SOL     H6    6  -0.011137   0.005898  -0.152949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030419  -0.136184   0.033407
+    0SOL     H2    2  -0.033786  -0.042355   0.014777
+    0SOL     H3    3   0.057301  -0.162959   0.006011
+    1SOL     O4    4   0.025819   0.125596  -0.030958
+    1SOL     H5    5   0.061154   0.186324  -0.095964
+    1SOL     H6    6  -0.011313   0.181996   0.036885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105964   0.030977   0.090446
+    0SOL     H2    2   0.012148   0.034586   0.071792
+    0SOL     H3    3   0.144636   0.095866   0.031657
+    1SOL     O4    4  -0.102725  -0.029699  -0.081357
+    1SOL     H5    5  -0.029301  -0.087983  -0.100703
+    1SOL     H6    6  -0.173316  -0.060315  -0.138294
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051414   0.124703   0.033504
+    0SOL     H2    2   0.082003   0.111900  -0.056288
+    0SOL     H3    3  -0.028991   0.175836   0.024405
+    1SOL     O4    4  -0.054059  -0.127173  -0.026460
+    1SOL     H5    5  -0.006014  -0.187986  -0.082636
+    1SOL     H6    6   0.009242  -0.058378  -0.005903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058952   0.122418  -0.011803
+    0SOL     H2    2   0.012900   0.169974  -0.053492
+    0SOL     H3    3  -0.125147   0.113969  -0.080426
+    1SOL     O4    4   0.057284  -0.127040   0.024354
+    1SOL     H5    5   0.132387  -0.149152  -0.030718
+    1SOL     H6    6   0.007098  -0.064229  -0.027593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035157   0.055384  -0.122855
+    0SOL     H2    2   0.097820   0.111930  -0.077708
+    0SOL     H3    3  -0.047001   0.104471  -0.121183
+    1SOL     O4    4  -0.034331  -0.058704   0.125338
+    1SOL     H5    5  -0.068707  -0.146458   0.108614
+    1SOL     H6    6   0.002342  -0.030897   0.041409
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058270  -0.131598  -0.004222
+    0SOL     H2    2  -0.025464  -0.149478   0.038571
+    0SOL     H3    3   0.106265  -0.077599   0.058570
+    1SOL     O4    4  -0.055659   0.131590   0.004148
+    1SOL     H5    5  -0.108635   0.172034  -0.064555
+    1SOL     H6    6  -0.015005   0.056014  -0.038253
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009103   0.129016  -0.073172
+    0SOL     H2    2  -0.066325   0.124829   0.003447
+    0SOL     H3    3   0.025442   0.040205  -0.082208
+    1SOL     O4    4   0.011055  -0.117120   0.065704
+    1SOL     H5    5  -0.062112  -0.178722   0.061944
+    1SOL     H6    6   0.073069  -0.157204   0.126612
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126386   0.017254  -0.069657
+    0SOL     H2    2  -0.092002   0.081998  -0.131206
+    0SOL     H3    3  -0.106099   0.053129   0.016736
+    1SOL     O4    4   0.125452  -0.028360   0.072422
+    1SOL     H5    5   0.049116  -0.025485   0.014744
+    1SOL     H6    6   0.166567   0.057463   0.062113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.098660   0.071139   0.064433
+    0SOL     H2    2   0.148557   0.020368   0.128424
+    0SOL     H3    3   0.165225   0.114333   0.010901
+    1SOL     O4    4  -0.111353  -0.067979  -0.067637
+    1SOL     H5    5  -0.044606  -0.018199  -0.020425
+    1SOL     H6    6  -0.076723  -0.157142  -0.071239
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006282  -0.001565   0.152720
+    0SOL     H2    2   0.047846  -0.085216   0.173628
+    0SOL     H3    3  -0.020665  -0.010345   0.061291
+    1SOL     O4    4  -0.004346   0.008693  -0.142941
+    1SOL     H5    5  -0.058966   0.058952  -0.203382
+    1SOL     H6    6   0.003197  -0.077656  -0.183554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006804  -0.116271   0.087293
+    0SOL     H2    2  -0.093240  -0.157173   0.083030
+    0SOL     H3    3   0.053170  -0.183470   0.054893
+    1SOL     O4    4   0.009455   0.129214  -0.084239
+    1SOL     H5    5  -0.020108   0.087694  -0.165260
+    1SOL     H6    6   0.019399   0.056818  -0.022415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040103   0.101931   0.098327
+    0SOL     H2    2   0.066736   0.157903   0.025389
+    0SOL     H3    3  -0.028626   0.151540   0.142796
+    1SOL     O4    4  -0.038311  -0.114088  -0.097601
+    1SOL     H5    5  -0.009277  -0.073275  -0.016031
+    1SOL     H6    6  -0.057113  -0.040520  -0.155881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133661  -0.040008   0.057275
+    0SOL     H2    2  -0.044943  -0.026373   0.090525
+    0SOL     H3    3  -0.190415  -0.000268   0.123321
+    1SOL     O4    4   0.127086   0.041605  -0.061592
+    1SOL     H5    5   0.220868   0.058964  -0.053474
+    1SOL     H6    6   0.121653  -0.051689  -0.082303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068252   0.134147  -0.009168
+    0SOL     H2    2   0.019377   0.172661  -0.009587
+    0SOL     H3    3  -0.091743   0.126943  -0.101680
+    1SOL     O4    4   0.060537  -0.138980   0.019507
+    1SOL     H5    5   0.141395  -0.167078  -0.023328
+    1SOL     H6    6   0.040878  -0.053930  -0.019766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078258  -0.049439  -0.119409
+    0SOL     H2    2  -0.013535  -0.069466  -0.137716
+    0SOL     H3    3   0.098932   0.023700  -0.177595
+    1SOL     O4    4  -0.077414   0.051451   0.118463
+    1SOL     H5    5  -0.087569   0.049140   0.213615
+    1SOL     H6    6  -0.019727  -0.022328   0.098686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100756  -0.014055   0.109987
+    0SOL     H2    2  -0.171189   0.048900   0.094551
+    0SOL     H3    3  -0.143085  -0.099620   0.102974
+    1SOL     O4    4   0.106133   0.017894  -0.114202
+    1SOL     H5    5   0.046483   0.002830  -0.040872
+    1SOL     H6    6   0.192309  -0.006531  -0.080447
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061379  -0.057769   0.134601
+    0SOL     H2    2   0.053625  -0.048052   0.039692
+    0SOL     H3    3   0.052621   0.031267   0.168636
+    1SOL     O4    4  -0.059865   0.053473  -0.125284
+    1SOL     H5    5   0.008880   0.033806  -0.188920
+    1SOL     H6    6  -0.141236   0.047992  -0.175395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.145936  -0.051987   0.024306
+    0SOL     H2    2   0.209986   0.012739  -0.005200
+    0SOL     H3    3   0.072059  -0.041721  -0.035687
+    1SOL     O4    4  -0.143894   0.053161  -0.014190
+    1SOL     H5    5  -0.120243   0.051687  -0.106931
+    1SOL     H6    6  -0.191861  -0.028510  -0.000356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088433   0.044419  -0.115079
+    0SOL     H2    2  -0.118299   0.127113  -0.152922
+    0SOL     H3    3  -0.152756   0.024548  -0.047034
+    1SOL     O4    4   0.099670  -0.045249   0.113060
+    1SOL     H5    5   0.035195  -0.035294   0.043016
+    1SOL     H6    6   0.052731  -0.091493   0.182491
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050599  -0.003648  -0.148096
+    0SOL     H2    2   0.013263  -0.028826  -0.214804
+    0SOL     H3    3   0.002413   0.024793  -0.073643
+    1SOL     O4    4   0.049705   0.005888   0.143997
+    1SOL     H5    5  -0.036854   0.042491   0.162164
+    1SOL     H6    6   0.051300  -0.076918   0.191985
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079887  -0.089995   0.087514
+    0SOL     H2    2   0.062748  -0.183788   0.079060
+    0SOL     H3    3   0.122352  -0.080953   0.172822
+    1SOL     O4    4  -0.079663   0.099901  -0.096304
+    1SOL     H5    5  -0.161132   0.050024  -0.090193
+    1SOL     H6    6  -0.024164   0.063771  -0.027189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046506  -0.071578  -0.130814
+    0SOL     H2    2  -0.140047  -0.091843  -0.132133
+    0SOL     H3    3  -0.011140  -0.126042  -0.060492
+    1SOL     O4    4   0.052123   0.081189   0.125686
+    1SOL     H5    5   0.069283   0.020892   0.198019
+    1SOL     H6    6  -0.013154   0.036281   0.071978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103780   0.021576   0.113942
+    0SOL     H2    2  -0.157444  -0.046853   0.153942
+    0SOL     H3    3  -0.033707   0.037200   0.177251
+    1SOL     O4    4   0.101694  -0.017380  -0.126625
+    1SOL     H5    5   0.035304  -0.019751  -0.057712
+    1SOL     H6    6   0.183801  -0.037070  -0.081535
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056950  -0.040117   0.137916
+    0SOL     H2    2   0.135234  -0.010238   0.184187
+    0SOL     H3    3   0.003138  -0.080994   0.205708
+    1SOL     O4    4  -0.062691   0.043999  -0.142102
+    1SOL     H5    5   0.023294   0.074723  -0.170822
+    1SOL     H6    6  -0.068403  -0.045659  -0.175133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.055663  -0.029578   0.156220
+    0SOL     H2    2  -0.123042   0.031798   0.126974
+    0SOL     H3    3   0.023199  -0.002954   0.108950
+    1SOL     O4    4   0.060327   0.027544  -0.147766
+    1SOL     H5    5   0.034908  -0.063752  -0.161224
+    1SOL     H6    6   0.002947   0.077274  -0.206048
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122217  -0.020550  -0.106288
+    0SOL     H2    2  -0.175550  -0.094639  -0.077498
+    0SOL     H3    3  -0.060588  -0.058296  -0.169052
+    1SOL     O4    4   0.125434   0.020804   0.107760
+    1SOL     H5    5   0.156268   0.103881   0.143952
+    1SOL     H6    6   0.035850   0.038820   0.079255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026911  -0.051479   0.158397
+    0SOL     H2    2   0.050562  -0.039457   0.066428
+    0SOL     H3    3   0.108184  -0.035478   0.206366
+    1SOL     O4    4  -0.027231   0.050230  -0.154149
+    1SOL     H5    5  -0.073381   0.044356  -0.237803
+    1SOL     H6    6  -0.096434   0.045556  -0.088184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104039   0.111830   0.080221
+    0SOL     H2    2  -0.127877   0.052675   0.008843
+    0SOL     H3    3  -0.035435   0.167487   0.043367
+    1SOL     O4    4   0.100616  -0.106942  -0.077966
+    1SOL     H5    5   0.056539  -0.135812   0.001947
+    1SOL     H6    6   0.170451  -0.171024  -0.091343
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032840   0.101820  -0.135482
+    0SOL     H2    2  -0.029453   0.120164  -0.065160
+    0SOL     H3    3   0.109547   0.154915  -0.114050
+    1SOL     O4    4  -0.029548  -0.100165   0.133182
+    1SOL     H5    5  -0.026625  -0.135074   0.044103
+    1SOL     H6    6  -0.095237  -0.153638   0.177769
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062570  -0.153329  -0.035451
+    0SOL     H2    2  -0.029014  -0.125774  -0.039397
+    0SOL     H3    3   0.064072  -0.238072  -0.079935
+    1SOL     O4    4  -0.061197   0.154772   0.033776
+    1SOL     H5    5  -0.080018   0.222461   0.098786
+    1SOL     H6    6   0.027686   0.125800   0.054339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080124  -0.138032  -0.052277
+    0SOL     H2    2  -0.152128  -0.085403  -0.087033
+    0SOL     H3    3  -0.121398  -0.219809  -0.024505
+    1SOL     O4    4   0.083383   0.140351   0.058695
+    1SOL     H5    5   0.078914   0.202929  -0.013598
+    1SOL     H6    6   0.139538   0.070013   0.026113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010229  -0.139082  -0.096633
+    0SOL     H2    2   0.044148  -0.223978  -0.068266
+    0SOL     H3    3   0.083310  -0.098368  -0.143149
+    1SOL     O4    4  -0.014113   0.141390   0.103828
+    1SOL     H5    5  -0.023921   0.217193   0.046209
+    1SOL     H6    6  -0.039688   0.066668   0.049746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073666   0.062283   0.151179
+    0SOL     H2    2   0.090896   0.132462   0.088407
+    0SOL     H3    3   0.008817   0.006754   0.107894
+    1SOL     O4    4  -0.074993  -0.061074  -0.150723
+    1SOL     H5    5  -0.100037  -0.077245  -0.059764
+    1SOL     H6    6   0.018361  -0.081972  -0.153990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131346   0.084830  -0.078234
+    0SOL     H2    2   0.198116   0.056678  -0.140776
+    0SOL     H3    3   0.049386   0.081657  -0.127577
+    1SOL     O4    4  -0.130350  -0.078479   0.089004
+    1SOL     H5    5  -0.095734  -0.075631  -0.000192
+    1SOL     H6    6  -0.171164  -0.164765   0.096163
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012814   0.082516  -0.159282
+    0SOL     H2    2  -0.049847   0.149339  -0.131521
+    0SOL     H3    3  -0.036937   0.000759  -0.157529
+    1SOL     O4    4  -0.006797  -0.088179   0.157045
+    1SOL     H5    5   0.064728  -0.030650   0.129900
+    1SOL     H6    6  -0.072061  -0.029176   0.194749
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.162711  -0.041027  -0.064924
+    0SOL     H2    2  -0.121372  -0.099642  -0.128309
+    0SOL     H3    3  -0.140357   0.046908  -0.095422
+    1SOL     O4    4   0.164104   0.045761   0.069147
+    1SOL     H5    5   0.187733  -0.044086   0.092203
+    1SOL     H6    6   0.070222   0.041949   0.050875
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.156224  -0.088733  -0.001972
+    0SOL     H2    2   0.194670  -0.176188  -0.007953
+    0SOL     H3    3   0.073888  -0.095354  -0.050338
+    1SOL     O4    4  -0.157693   0.088459   0.002410
+    1SOL     H5    5  -0.076171   0.123122  -0.033854
+    1SOL     H6    6  -0.173178   0.140841   0.081014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013850   0.136337  -0.122756
+    0SOL     H2    2  -0.047998   0.195159  -0.190108
+    0SOL     H3    3  -0.019478   0.049176  -0.161919
+    1SOL     O4    4   0.013131  -0.138543   0.124473
+    1SOL     H5    5   0.053207  -0.163659   0.207692
+    1SOL     H6    6   0.027222  -0.044048   0.118602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097056   0.018836   0.164099
+    0SOL     H2    2   0.031596   0.009477   0.094891
+    0SOL     H3    3   0.158476  -0.052991   0.148909
+    1SOL     O4    4  -0.100195  -0.010828  -0.154694
+    1SOL     H5    5  -0.137941  -0.078104  -0.211363
+    1SOL     H6    6  -0.008403  -0.005729  -0.181351
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044749  -0.167128   0.072734
+    0SOL     H2    2  -0.025266  -0.215586   0.152950
+    0SOL     H3    3   0.008185  -0.087644   0.079256
+    1SOL     O4    4   0.041709   0.170163  -0.081639
+    1SOL     H5    5  -0.041240   0.144214  -0.041535
+    1SOL     H6    6   0.106940   0.113216  -0.040843
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012659   0.113222   0.149740
+    0SOL     H2    2   0.004192   0.060652   0.229282
+    0SOL     H3    3   0.101829   0.096434   0.119257
+    1SOL     O4    4  -0.014628  -0.111035  -0.157811
+    1SOL     H5    5  -0.104182  -0.127581  -0.128338
+    1SOL     H6    6   0.023079  -0.055189  -0.089829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.161610   0.079164  -0.049041
+    0SOL     H2    2   0.148940  -0.014857  -0.061761
+    0SOL     H3    3   0.246560   0.097572  -0.089127
+    1SOL     O4    4  -0.162623  -0.074031   0.047307
+    1SOL     H5    5  -0.129996  -0.092206   0.135440
+    1SOL     H6    6  -0.257647  -0.068690   0.057521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.008193   0.131474   0.126136
+    0SOL     H2    2  -0.005584   0.091397   0.211964
+    0SOL     H3    3   0.033528   0.221711   0.145575
+    1SOL     O4    4  -0.004890  -0.139330  -0.129902
+    1SOL     H5    5  -0.040272  -0.060269  -0.089160
+    1SOL     H6    6  -0.038061  -0.136976  -0.219660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096954   0.044871  -0.164853
+    0SOL     H2    2  -0.075605  -0.047329  -0.150517
+    0SOL     H3    3  -0.014013   0.090955  -0.152227
+    1SOL     O4    4   0.088387  -0.046305   0.158694
+    1SOL     H5    5   0.110949  -0.067796   0.249201
+    1SOL     H6    6   0.115563   0.044873   0.148190
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076149   0.178813  -0.010285
+    0SOL     H2    2  -0.002646   0.233105  -0.007823
+    0SOL     H3    3   0.061426   0.118437  -0.083088
+    1SOL     O4    4  -0.066484  -0.182818   0.011246
+    1SOL     H5    5  -0.121805  -0.113593  -0.024945
+    1SOL     H6    6  -0.084782  -0.181509   0.105192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.176829  -0.046096   0.099417
+    0SOL     H2    2  -0.086335  -0.034475   0.070467
+    0SOL     H3    3  -0.201597  -0.132552   0.066639
+    1SOL     O4    4   0.172293   0.044916  -0.092315
+    1SOL     H5    5   0.215750   0.052874  -0.177230
+    1SOL     H6    6   0.145981   0.134290  -0.070353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120548   0.093903   0.131473
+    0SOL     H2    2  -0.201015   0.137527   0.103467
+    0SOL     H3    3  -0.079268   0.155952   0.191541
+    1SOL     O4    4   0.127280  -0.102168  -0.131207
+    1SOL     H5    5   0.039864  -0.138314  -0.116566
+    1SOL     H6    6   0.113842  -0.031852  -0.194747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014618   0.205722   0.043670
+    0SOL     H2    2   0.067982   0.182627   0.086169
+    0SOL     H3    3   0.005082   0.203333  -0.049970
+    1SOL     O4    4   0.014132  -0.201452  -0.044573
+    1SOL     H5    5  -0.034380  -0.160592   0.027117
+    1SOL     H6    6  -0.022121  -0.289823  -0.050781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028966  -0.059945   0.208926
+    0SOL     H2    2   0.053130  -0.010981   0.203923
+    0SOL     H3    3  -0.059583  -0.046364   0.298595
+    1SOL     O4    4   0.025588   0.059439  -0.209231
+    1SOL     H5    5   0.017076   0.090187  -0.299477
+    1SOL     H6    6   0.038450  -0.035078  -0.217192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012775   0.046062  -0.227505
+    0SOL     H2    2   0.046776   0.104688  -0.159909
+    0SOL     H3    3  -0.006777  -0.035323  -0.181067
+    1SOL     O4    4  -0.016984  -0.040957   0.216942
+    1SOL     H5    5   0.077428  -0.048118   0.230996
+    1SOL     H6    6  -0.054816  -0.108516   0.273216
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038149  -0.141059  -0.166498
+    0SOL     H2    2  -0.006589  -0.225407  -0.173290
+    0SOL     H3    3   0.128539  -0.159724  -0.191869
+    1SOL     O4    4  -0.040949   0.148850   0.175195
+    1SOL     H5    5   0.015431   0.082406   0.135587
+    1SOL     H6    6  -0.093883   0.181800   0.102568
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042166  -0.231897  -0.039322
+    0SOL     H2    2   0.018776  -0.141035  -0.020370
+    0SOL     H3    3  -0.023737  -0.260996  -0.102350
+    1SOL     O4    4  -0.033022   0.222764   0.041476
+    1SOL     H5    5  -0.034891   0.294415   0.104918
+    1SOL     H6    6  -0.102959   0.243698  -0.020435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050161   0.067899   0.235780
+    0SOL     H2    2  -0.031087  -0.006639   0.178837
+    0SOL     H3    3  -0.098803   0.128756   0.180168
+    1SOL     O4    4   0.048335  -0.061537  -0.227234
+    1SOL     H5    5   0.122843  -0.062118  -0.287322
+    1SOL     H6    6   0.029885  -0.154046  -0.210987
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.180357   0.113244  -0.131830
+    0SOL     H2    2   0.098950   0.097980  -0.083848
+    0SOL     H3    3   0.158031   0.095552  -0.223213
+    1SOL     O4    4  -0.179645  -0.107034   0.132654
+    1SOL     H5    5  -0.123548  -0.096883   0.209546
+    1SOL     H6    6  -0.151418  -0.189489   0.093072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013931   0.222449   0.122468
+    0SOL     H2    2  -0.071173   0.221604   0.045754
+    0SOL     H3    3   0.021335   0.133582   0.127076
+    1SOL     O4    4   0.019269  -0.218127  -0.123066
+    1SOL     H5    5   0.031768  -0.202437  -0.029472
+    1SOL     H6    6  -0.075696  -0.222671  -0.134166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.171315  -0.180854  -0.038856
+    0SOL     H2    2   0.105066  -0.125304  -0.079936
+    0SOL     H3    3   0.253773  -0.134357  -0.053039
+    1SOL     O4    4  -0.171485   0.176686   0.035207
+    1SOL     H5    5  -0.131960   0.222088   0.109631
+    1SOL     H6    6  -0.221984   0.105532   0.074568
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080241  -0.153929   0.180532
+    0SOL     H2    2   0.107477  -0.228848   0.127545
+    0SOL     H3    3  -0.013411  -0.167503   0.194939
+    1SOL     O4    4  -0.081092   0.158026  -0.173401
+    1SOL     H5    5  -0.030454   0.237757  -0.188926
+    1SOL     H6    6  -0.050434   0.096731  -0.240224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099198  -0.146289  -0.187066
+    0SOL     H2    2  -0.089845  -0.107777  -0.274197
+    0SOL     H3    3  -0.047370  -0.089507  -0.130041
+    1SOL     O4    4   0.094762   0.142089   0.181859
+    1SOL     H5    5   0.176158   0.137905   0.232053
+    1SOL     H6    6   0.026089   0.123548   0.245910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.161136  -0.032013  -0.197948
+    0SOL     H2    2   0.165455  -0.127361  -0.190710
+    0SOL     H3    3   0.231011  -0.000407  -0.140669
+    1SOL     O4    4  -0.163971   0.038318   0.199059
+    1SOL     H5    5  -0.130052   0.057735   0.111682
+    1SOL     H6    6  -0.222974  -0.035906   0.185951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093613   0.008015   0.245864
+    0SOL     H2    2  -0.027949   0.065169   0.285665
+    0SOL     H3    3  -0.061102  -0.007809   0.157236
+    1SOL     O4    4   0.088487  -0.006100  -0.237844
+    1SOL     H5    5   0.132904  -0.007172  -0.322628
+    1SOL     H6    6   0.030829  -0.082476  -0.239990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127073  -0.008076   0.222096
+    0SOL     H2    2  -0.173962  -0.088670   0.243735
+    0SOL     H3    3  -0.148732   0.052141   0.293280
+    1SOL     O4    4   0.131263   0.003296  -0.224103
+    1SOL     H5    5   0.108141   0.024321  -0.314577
+    1SOL     H6    6   0.141795   0.088424  -0.181622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118643   0.076133  -0.226769
+    0SOL     H2    2  -0.027358   0.059542  -0.203234
+    0SOL     H3    3  -0.144234  -0.000024  -0.278803
+    1SOL     O4    4   0.111927  -0.069313   0.223307
+    1SOL     H5    5   0.122321  -0.161242   0.247869
+    1SOL     H6    6   0.167903  -0.021623   0.284583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.198721   0.141066  -0.137379
+    0SOL     H2    2   0.165836   0.230919  -0.134696
+    0SOL     H3    3   0.241281   0.128544  -0.052560
+    1SOL     O4    4  -0.195942  -0.145386   0.137681
+    1SOL     H5    5  -0.264152  -0.207660   0.112549
+    1SOL     H6    6  -0.197058  -0.079324   0.068421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044038  -0.270458   0.058679
+    0SOL     H2    2   0.075641  -0.325833  -0.012715
+    0SOL     H3    3   0.113964  -0.206506   0.072204
+    1SOL     O4    4  -0.055141   0.268976  -0.060544
+    1SOL     H5    5   0.031058   0.227366  -0.059686
+    1SOL     H6    6  -0.054551   0.326973   0.015603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084447   0.013539  -0.283207
+    0SOL     H2    2   0.004080   0.034887  -0.330618
+    0SOL     H3    3   0.071454   0.050748  -0.195977
+    1SOL     O4    4  -0.073238  -0.017851   0.278322
+    1SOL     H5    5  -0.138004   0.047573   0.252103
+    1SOL     H6    6  -0.113433  -0.063016   0.352530
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.221420   0.170669  -0.109350
+    0SOL     H2    2   0.205496   0.264773  -0.102059
+    0SOL     H3    3   0.250461   0.144405  -0.022005
+    1SOL     O4    4  -0.226781  -0.176450   0.100296
+    1SOL     H5    5  -0.166702  -0.103710   0.084120
+    1SOL     H6    6  -0.201742  -0.209528   0.186559
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125475   0.073037   0.283889
+    0SOL     H2    2  -0.193554   0.098749   0.346069
+    0SOL     H3    3  -0.047155   0.061136   0.337617
+    1SOL     O4    4   0.128342  -0.072411  -0.295487
+    1SOL     H5    5   0.151958  -0.066149  -0.202937
+    1SOL     H6    6   0.038366  -0.105068  -0.295138
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.293698   0.173646   0.127311
+    0SOL     H2    2   0.353753   0.245044   0.105905
+    0SOL     H3    3   0.216200   0.217272   0.162710
+    1SOL     O4    4  -0.291716  -0.175747  -0.133140
+    1SOL     H5    5  -0.279501  -0.166989  -0.038608
+    1SOL     H6    6  -0.322234  -0.265671  -0.145165
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.353371  -0.198135  -0.061658
+    0SOL     H2    2   0.387973  -0.121812  -0.107917
+    0SOL     H3    3   0.302165  -0.161362   0.010370
+    1SOL     O4    4  -0.347810   0.197202   0.057418
+    1SOL     H5    5  -0.331095   0.105766   0.080275
+    1SOL     H6    6  -0.439400   0.211539   0.081249
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.151118  -0.365172  -0.165259
+    0SOL     H2    2  -0.230819  -0.319175  -0.138909
+    0SOL     H3    3  -0.170072  -0.397497  -0.253339
+    1SOL     O4    4   0.150266   0.363672   0.168470
+    1SOL     H5    5   0.207712   0.394068   0.238743
+    1SOL     H6    6   0.209218   0.346390   0.095065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014682   0.254266   0.365149
+    0SOL     H2    2  -0.046379   0.272468   0.293716
+    0SOL     H3    3   0.085035   0.318106   0.353438
+    1SOL     O4    4  -0.012119  -0.258685  -0.353520
+    1SOL     H5    5  -0.090483  -0.214100  -0.385669
+    1SOL     H6    6   0.019563  -0.308739  -0.428708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.143050  -0.334421   0.293298
+    0SOL     H2    2   0.126502  -0.365930   0.204440
+    0SOL     H3    3   0.075783  -0.267952   0.308107
+    1SOL     O4    4  -0.138651   0.326675  -0.286839
+    1SOL     H5    5  -0.210649   0.374470  -0.328001
+    1SOL     H6    6  -0.063588   0.385656  -0.293841
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073425  -0.447718  -0.076589
+    0SOL     H2    2  -0.102815  -0.530786  -0.039195
+    0SOL     H3    3   0.012362  -0.467362  -0.114232
+    1SOL     O4    4   0.072706   0.455985   0.070847
+    1SOL     H5    5   0.076576   0.493763   0.158712
+    1SOL     H6    6   0.022564   0.375170   0.081658
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.391832  -0.314853  -0.133245
+    0SOL     H2    2  -0.394431  -0.224597  -0.165018
+    0SOL     H3    3  -0.330232  -0.359090  -0.191648
+    1SOL     O4    4   0.390945   0.317415   0.136343
+    1SOL     H5    5   0.355656   0.246088   0.083151
+    1SOL     H6    6   0.382854   0.286370   0.226527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.224311  -0.352622  -0.307571
+    0SOL     H2    2   0.227354  -0.311735  -0.394066
+    0SOL     H3    3   0.306536  -0.326809  -0.265918
+    1SOL     O4    4  -0.224558   0.353536   0.310702
+    1SOL     H5    5  -0.307726   0.362207   0.264117
+    1SOL     H6    6  -0.223485   0.262815   0.341213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.360082   0.402883   0.027203
+    0SOL     H2    2   0.416891   0.469933  -0.010736
+    0SOL     H3    3   0.404013   0.320183   0.007375
+    1SOL     O4    4  -0.370192  -0.397725  -0.024905
+    1SOL     H5    5  -0.375739  -0.459700   0.047831
+    1SOL     H6    6  -0.288644  -0.420411  -0.069599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.332069   0.406871  -0.394781
+    0SOL     H2    2  -0.270390   0.476449  -0.417516
+    0SOL     H3    3  -0.329126   0.346891  -0.469320
+    1SOL     O4    4   0.327818  -0.409259   0.394188
+    1SOL     H5    5   0.367848  -0.329702   0.429268
+    1SOL     H6    6   0.295050  -0.455627   0.471250
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102661  -0.168916  -0.776457
+    0SOL     H2    2  -0.165604  -0.239079  -0.793118
+    0SOL     H3    3  -0.084497  -0.174745  -0.682657
+    1SOL     O4    4   0.100796   0.178225   0.768261
+    1SOL     H5    5   0.103093   0.083590   0.754074
+    1SOL     H6    6   0.166790   0.193979   0.835781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/510K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.919929   0.011485   0.507403
+    0SOL     H2    2   0.970309  -0.039802   0.444205
+    0SOL     H3    3   0.832991  -0.028563   0.506948
+    1SOL     O4    4  -0.920742  -0.001519  -0.500813
+    1SOL     H5    5  -0.869737  -0.074557  -0.465796
+    1SOL     H6    6  -0.923009  -0.016930  -0.595257
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039984   0.120393  -0.016005
+    0SOL     H2    2  -0.020214   0.028713   0.003133
+    0SOL     H3    3  -0.006723   0.168446   0.059803
+    1SOL     O4    4   0.042252  -0.112234   0.012652
+    1SOL     H5    5  -0.005005  -0.169977   0.072610
+    1SOL     H6    6   0.014975  -0.140698  -0.074572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004206   0.119836  -0.030109
+    0SOL     H2    2   0.040867   0.107641   0.057467
+    0SOL     H3    3  -0.008276   0.214415  -0.037944
+    1SOL     O4    4  -0.001510  -0.128224   0.024373
+    1SOL     H5    5  -0.078324  -0.140603   0.080129
+    1SOL     H6    6  -0.004057  -0.035636   0.000219
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108531   0.069783  -0.032808
+    0SOL     H2    2   0.029884   0.100220   0.012475
+    0SOL     H3    3   0.093342  -0.023634  -0.047126
+    1SOL     O4    4  -0.104304  -0.062006   0.037247
+    1SOL     H5    5  -0.113296  -0.038477  -0.055099
+    1SOL     H6    6  -0.078631  -0.154212   0.036130
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026660  -0.023224   0.129843
+    0SOL     H2    2   0.083616  -0.090353   0.092266
+    0SOL     H3    3  -0.016731   0.016461   0.054315
+    1SOL     O4    4  -0.029349   0.026547  -0.117854
+    1SOL     H5    5  -0.065615   0.052265  -0.202623
+    1SOL     H6    6   0.042939  -0.032329  -0.139544
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000054  -0.117163  -0.045291
+    0SOL     H2    2  -0.007727  -0.104884  -0.139909
+    0SOL     H3    3  -0.079283  -0.164963  -0.020791
+    1SOL     O4    4   0.008738   0.119803   0.056066
+    1SOL     H5    5  -0.033088   0.190053   0.006288
+    1SOL     H6    6  -0.009311   0.040543   0.005524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.004209  -0.082729  -0.103215
+    0SOL     H2    2  -0.026354  -0.016879  -0.040830
+    0SOL     H3    3  -0.034788  -0.056664  -0.186655
+    1SOL     O4    4  -0.002842   0.081373   0.098919
+    1SOL     H5    5   0.086538   0.049006   0.110138
+    1SOL     H6    6  -0.050263   0.047755   0.174968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076049   0.033697  -0.099243
+    0SOL     H2    2   0.072960  -0.037166  -0.163517
+    0SOL     H3    3   0.150873   0.012302  -0.043511
+    1SOL     O4    4  -0.081950  -0.024581   0.105243
+    1SOL     H5    5  -0.043825  -0.001019   0.020664
+    1SOL     H6    6  -0.090566  -0.119856   0.101978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026496   0.108159   0.078097
+    0SOL     H2    2   0.116539   0.109691   0.110536
+    0SOL     H3    3   0.026693   0.040981   0.009910
+    1SOL     O4    4  -0.033120  -0.102659  -0.070785
+    1SOL     H5    5   0.033626  -0.169700  -0.085372
+    1SOL     H6    6  -0.062486  -0.078517  -0.158633
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088915  -0.094432  -0.046013
+    0SOL     H2    2  -0.042043  -0.023153  -0.002600
+    0SOL     H3    3  -0.143142  -0.050928  -0.111809
+    1SOL     O4    4   0.082468   0.088903   0.048082
+    1SOL     H5    5   0.120082   0.041396  -0.026017
+    1SOL     H6    6   0.158049   0.115119   0.100642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013638   0.060724  -0.114731
+    0SOL     H2    2   0.001752   0.145861  -0.073778
+    0SOL     H3    3   0.046451   0.058707  -0.189213
+    1SOL     O4    4   0.013101  -0.063831   0.122723
+    1SOL     H5    5  -0.035967  -0.144238   0.105711
+    1SOL     H6    6   0.000995  -0.011159   0.043720
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039028  -0.130210   0.022797
+    0SOL     H2    2   0.039463  -0.184619   0.016382
+    0SOL     H3    3  -0.007903  -0.041169   0.006510
+    1SOL     O4    4   0.038484   0.123610  -0.020913
+    1SOL     H5    5  -0.000934   0.177922   0.047342
+    1SOL     H6    6  -0.017904   0.136283  -0.097216
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034969   0.119105  -0.052901
+    0SOL     H2    2  -0.008259   0.093371  -0.134335
+    0SOL     H3    3   0.124390   0.086116  -0.061735
+    1SOL     O4    4  -0.044406  -0.118489   0.056393
+    1SOL     H5    5  -0.006808  -0.035071   0.028284
+    1SOL     H6    6   0.020759  -0.155288   0.116072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108905   0.083374   0.017545
+    0SOL     H2    2  -0.021697   0.045747   0.029432
+    0SOL     H3    3  -0.093977   0.162832  -0.033698
+    1SOL     O4    4   0.098508  -0.084166  -0.011834
+    1SOL     H5    5   0.099923  -0.103193  -0.105633
+    1SOL     H6    6   0.188457  -0.099450   0.017114
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042791  -0.123970  -0.031364
+    0SOL     H2    2   0.013222  -0.183991  -0.080581
+    0SOL     H3    3  -0.056327  -0.167393   0.052860
+    1SOL     O4    4   0.042252   0.134497   0.025638
+    1SOL     H5    5   0.011206   0.047753  -0.000321
+    1SOL     H6    6   0.035351   0.134879   0.121108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060859  -0.006990   0.117984
+    0SOL     H2    2   0.156578  -0.007387   0.117698
+    0SOL     H3    3   0.037226   0.016438   0.207733
+    1SOL     O4    4  -0.071000   0.002574  -0.124623
+    1SOL     H5    5  -0.021505   0.067294  -0.174863
+    1SOL     H6    6  -0.017424  -0.013613  -0.046971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120534  -0.076396  -0.022400
+    0SOL     H2    2   0.052627  -0.013736   0.002593
+    0SOL     H3    3   0.095088  -0.105738  -0.109886
+    1SOL     O4    4  -0.110226   0.070901   0.022529
+    1SOL     H5    5  -0.203410   0.049108   0.020482
+    1SOL     H6    6  -0.105400   0.150735   0.075117
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067969   0.011073   0.124517
+    0SOL     H2    2  -0.058756   0.005385   0.029411
+    0SOL     H3    3  -0.152841   0.053254   0.137927
+    1SOL     O4    4   0.072181  -0.010878  -0.113239
+    1SOL     H5    5   0.124148   0.028988  -0.183041
+    1SOL     H6    6   0.025217  -0.082403  -0.156144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033059   0.132653   0.029203
+    0SOL     H2    2   0.000013   0.141396  -0.060206
+    0SOL     H3    3  -0.031211   0.178707   0.083154
+    1SOL     O4    4  -0.024349  -0.141060  -0.030302
+    1SOL     H5    5   0.015639  -0.060923   0.003483
+    1SOL     H6    6  -0.117740  -0.130853  -0.011968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071708  -0.124774  -0.031344
+    0SOL     H2    2  -0.085495  -0.139474   0.062230
+    0SOL     H3    3  -0.043209  -0.033594  -0.037370
+    1SOL     O4    4   0.066463   0.119568   0.020736
+    1SOL     H5    5   0.055701   0.155061   0.108978
+    1SOL     H6    6   0.157078   0.088838   0.018116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.114489   0.060984  -0.069050
+    0SOL     H2    2   0.111735  -0.032149  -0.047123
+    0SOL     H3    3   0.027264   0.080113  -0.103520
+    1SOL     O4    4  -0.112820  -0.063591   0.070827
+    1SOL     H5    5  -0.118116  -0.004197  -0.004050
+    1SOL     H6    6  -0.056055  -0.018452   0.133297
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072911  -0.059330   0.113444
+    0SOL     H2    2  -0.036444  -0.023756   0.032407
+    0SOL     H3    3  -0.028148  -0.143124   0.125150
+    1SOL     O4    4   0.062143   0.060630  -0.106210
+    1SOL     H5    5   0.090065   0.146780  -0.137207
+    1SOL     H6    6   0.135961   0.002960  -0.125888
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122249   0.073557   0.033943
+    0SOL     H2    2   0.187223   0.016589   0.075117
+    0SOL     H3    3   0.041079   0.022871   0.036112
+    1SOL     O4    4  -0.117042  -0.064868  -0.032253
+    1SOL     H5    5  -0.165793  -0.146796  -0.023682
+    1SOL     H6    6  -0.143411  -0.030049  -0.117426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028692   0.143747  -0.020591
+    0SOL     H2    2  -0.015602   0.049050  -0.025416
+    0SOL     H3    3  -0.036990   0.162089   0.072988
+    1SOL     O4    4   0.029085  -0.134120   0.018808
+    1SOL     H5    5  -0.026046  -0.210908   0.033856
+    1SOL     H6    6   0.076463  -0.154045  -0.061942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090290   0.110191  -0.050897
+    0SOL     H2    2   0.078642   0.030845   0.001361
+    0SOL     H3    3   0.002435   0.131176  -0.082574
+    1SOL     O4    4  -0.079010  -0.103082   0.045483
+    1SOL     H5    5  -0.169628  -0.077013   0.061951
+    1SOL     H6    6  -0.067977  -0.184193   0.095098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133202  -0.008012  -0.056422
+    0SOL     H2    2   0.130653  -0.077724   0.009122
+    0SOL     H3    3   0.118623  -0.052849  -0.139725
+    1SOL     O4    4  -0.134781   0.018051   0.062513
+    1SOL     H5    5  -0.043122  -0.002350   0.043948
+    1SOL     H6    6  -0.182226  -0.011958  -0.015016
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035439  -0.070341  -0.127433
+    0SOL     H2    2  -0.048433  -0.101884  -0.161093
+    0SOL     H3    3   0.015718  -0.039430  -0.039014
+    1SOL     O4    4  -0.035629   0.068390   0.121278
+    1SOL     H5    5   0.006564   0.154272   0.123810
+    1SOL     H6    6   0.026196   0.009973   0.165182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109584  -0.039824  -0.095521
+    0SOL     H2    2   0.032038  -0.006762  -0.050178
+    0SOL     H3    3   0.108008  -0.134267  -0.080013
+    1SOL     O4    4  -0.099629   0.041849   0.087614
+    1SOL     H5    5  -0.123260  -0.002089   0.169305
+    1SOL     H6    6  -0.165209   0.110857   0.077639
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122620  -0.051923  -0.069217
+    0SOL     H2    2  -0.043622  -0.011147  -0.033737
+    0SOL     H3    3  -0.166497   0.018401  -0.117089
+    1SOL     O4    4   0.121847   0.047016   0.063521
+    1SOL     H5    5   0.064920   0.092763   0.125399
+    1SOL     H6    6   0.150649  -0.031143   0.110679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105001   0.055007   0.082675
+    0SOL     H2    2   0.148848   0.090053   0.005141
+    0SOL     H3    3   0.071924   0.132254   0.128513
+    1SOL     O4    4  -0.106712  -0.066951  -0.085562
+    1SOL     H5    5  -0.034200  -0.053976  -0.024438
+    1SOL     H6    6  -0.163980   0.008391  -0.071199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.096706   0.051534   0.087933
+    0SOL     H2    2   0.161210  -0.010102   0.122610
+    0SOL     H3    3   0.107655   0.130265   0.141261
+    1SOL     O4    4  -0.106311  -0.055962  -0.091435
+    1SOL     H5    5  -0.093414  -0.005772  -0.171915
+    1SOL     H6    6  -0.026782  -0.040451  -0.040475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092193   0.095416  -0.057031
+    0SOL     H2    2   0.130812   0.012781  -0.086055
+    0SOL     H3    3   0.167198   0.149885  -0.033164
+    1SOL     O4    4  -0.097898  -0.099468   0.061586
+    1SOL     H5    5  -0.031707  -0.037928   0.030058
+    1SOL     H6    6  -0.179739  -0.068748   0.022591
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029863  -0.022798   0.146591
+    0SOL     H2    2  -0.033359   0.009087   0.056405
+    0SOL     H3    3  -0.112500  -0.069552   0.158736
+    1SOL     O4    4   0.032050   0.020369  -0.136914
+    1SOL     H5    5   0.056811   0.112437  -0.145442
+    1SOL     H6    6   0.047676  -0.016824  -0.223718
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061283  -0.072149  -0.106828
+    0SOL     H2    2  -0.082826  -0.150319  -0.157698
+    0SOL     H3    3  -0.074646   0.000520  -0.167680
+    1SOL     O4    4   0.064433   0.078956   0.114496
+    1SOL     H5    5   0.092411  -0.000392   0.160141
+    1SOL     H6    6   0.014053   0.047067   0.039615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014694   0.005670   0.153511
+    0SOL     H2    2  -0.063336   0.087399   0.142710
+    0SOL     H3    3  -0.026038  -0.040191   0.070261
+    1SOL     O4    4   0.013835  -0.012949  -0.145458
+    1SOL     H5    5   0.105430   0.000991  -0.121412
+    1SOL     H6    6  -0.004522   0.054921  -0.210412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036909   0.128362  -0.081103
+    0SOL     H2    2   0.076873   0.106321   0.003035
+    0SOL     H3    3  -0.041330   0.073403  -0.085641
+    1SOL     O4    4  -0.037897  -0.118109   0.078275
+    1SOL     H5    5  -0.079451  -0.198751   0.047741
+    1SOL     H6    6   0.055987  -0.134990   0.070328
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066973  -0.037519  -0.134446
+    0SOL     H2    2  -0.076951   0.053727  -0.161591
+    0SOL     H3    3  -0.014536  -0.033172  -0.054485
+    1SOL     O4    4   0.064640   0.031550   0.124929
+    1SOL     H5    5   0.021000  -0.031440   0.182288
+    1SOL     H6    6   0.101941   0.096476   0.184558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076872   0.013296  -0.135138
+    0SOL     H2    2   0.018470  -0.024705  -0.069506
+    0SOL     H3    3   0.163973   0.007780  -0.095826
+    1SOL     O4    4  -0.079325  -0.003765   0.127794
+    1SOL     H5    5  -0.011843  -0.042773   0.183354
+    1SOL     H6    6  -0.130599  -0.078258   0.096423
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104097  -0.004096   0.109426
+    0SOL     H2    2  -0.008445  -0.006214   0.106510
+    0SOL     H3    3  -0.126952  -0.056932   0.185900
+    1SOL     O4    4   0.105048   0.005608  -0.108263
+    1SOL     H5    5   0.087081   0.090995  -0.147613
+    1SOL     H6    6   0.047284  -0.054894  -0.154795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024649   0.134032  -0.055698
+    0SOL     H2    2   0.119714   0.143583  -0.061504
+    0SOL     H3    3  -0.005083   0.214853  -0.013909
+    1SOL     O4    4  -0.028908  -0.145438   0.050256
+    1SOL     H5    5  -0.009404  -0.132310   0.143043
+    1SOL     H6    6  -0.035950  -0.056944   0.014458
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148503  -0.015591   0.053569
+    0SOL     H2    2   0.128138   0.073764   0.081195
+    0SOL     H3    3   0.065652  -0.049799   0.019986
+    1SOL     O4    4  -0.140446   0.014491  -0.046809
+    1SOL     H5    5  -0.155477  -0.075859  -0.074618
+    1SOL     H6    6  -0.153523   0.066496  -0.126098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095419   0.066679  -0.094605
+    0SOL     H2    2   0.095349   0.039924  -0.186510
+    0SOL     H3    3   0.052442   0.152208  -0.094476
+    1SOL     O4    4  -0.098517  -0.073394   0.097015
+    1SOL     H5    5  -0.013572  -0.055749   0.056574
+    1SOL     H6    6  -0.096384  -0.024842   0.179480
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088619   0.041813   0.117906
+    0SOL     H2    2   0.074911  -0.036047   0.063941
+    0SOL     H3    3   0.115239   0.007506   0.203210
+    1SOL     O4    4  -0.083148  -0.038039  -0.120541
+    1SOL     H5    5  -0.150118  -0.086179  -0.071961
+    1SOL     H6    6  -0.126240   0.043379  -0.146550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125508   0.002900   0.082404
+    0SOL     H2    2   0.206750  -0.041694   0.058460
+    0SOL     H3    3   0.145367   0.095995   0.072342
+    1SOL     O4    4  -0.129784  -0.005171  -0.073938
+    1SOL     H5    5  -0.116808   0.061784  -0.141101
+    1SOL     H6    6  -0.164359  -0.080619  -0.121629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109329   0.106070  -0.051801
+    0SOL     H2    2   0.164557   0.065545   0.015055
+    0SOL     H3    3   0.025761   0.059872  -0.045130
+    1SOL     O4    4  -0.107611  -0.094541   0.046783
+    1SOL     H5    5  -0.053649  -0.147506   0.105479
+    1SOL     H6    6  -0.163678  -0.157903   0.002015
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045762   0.154387  -0.009109
+    0SOL     H2    2   0.061327   0.150385  -0.103470
+    0SOL     H3    3   0.013231   0.067266   0.013564
+    1SOL     O4    4  -0.039814  -0.145551   0.017085
+    1SOL     H5    5  -0.062628  -0.146484  -0.075871
+    1SOL     H6    6  -0.106181  -0.200605   0.058639
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120589   0.080221  -0.065405
+    0SOL     H2    2  -0.048601   0.019130  -0.049659
+    0SOL     H3    3  -0.103430   0.115542  -0.152699
+    1SOL     O4    4   0.110865  -0.076878   0.069930
+    1SOL     H5    5   0.132399  -0.169429   0.058401
+    1SOL     H6    6   0.195700  -0.032606   0.072237
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075202   0.117509   0.077895
+    0SOL     H2    2  -0.063749   0.070186  -0.004516
+    0SOL     H3    3  -0.156897   0.083209   0.114112
+    1SOL     O4    4   0.078438  -0.112980  -0.080533
+    1SOL     H5    5   0.023606  -0.130188  -0.003985
+    1SOL     H6    6   0.162565  -0.085461  -0.044095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048515  -0.036971  -0.150905
+    0SOL     H2    2   0.020177   0.004846  -0.098991
+    0SOL     H3    3  -0.094310  -0.093690  -0.088872
+    1SOL     O4    4   0.047162   0.042985   0.140721
+    1SOL     H5    5   0.125024   0.007231   0.183400
+    1SOL     H6    6  -0.024509  -0.012830   0.170891
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064258   0.145603  -0.047256
+    0SOL     H2    2  -0.020506   0.071308  -0.005684
+    0SOL     H3    3  -0.057976   0.216213   0.017065
+    1SOL     O4    4   0.063953  -0.138962   0.039744
+    1SOL     H5    5  -0.018597  -0.157165   0.084650
+    1SOL     H6    6   0.100182  -0.225370   0.020164
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040972  -0.157862   0.031258
+    0SOL     H2    2   0.040468  -0.064613   0.009652
+    0SOL     H3    3   0.130281  -0.175106   0.061071
+    1SOL     O4    4  -0.046991   0.147272  -0.028331
+    1SOL     H5    5  -0.018694   0.229826   0.010992
+    1SOL     H6    6  -0.062668   0.168633  -0.120311
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097204   0.095931  -0.091285
+    0SOL     H2    2  -0.030684   0.163171  -0.076580
+    0SOL     H3    3  -0.093827   0.079016  -0.185438
+    1SOL     O4    4   0.094028  -0.104795   0.097704
+    1SOL     H5    5   0.163244  -0.038717   0.099971
+    1SOL     H6    6   0.018835  -0.059486   0.059554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021674  -0.167960  -0.040523
+    0SOL     H2    2   0.025659  -0.153375  -0.135041
+    0SOL     H3    3   0.015531  -0.080147  -0.002927
+    1SOL     O4    4  -0.017993   0.156766   0.043146
+    1SOL     H5    5   0.009050   0.247471   0.028876
+    1SOL     H6    6  -0.110409   0.162800   0.067338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122035   0.033242   0.107761
+    0SOL     H2    2  -0.208548   0.044784   0.147062
+    0SOL     H3    3  -0.060723   0.050401   0.179237
+    1SOL     O4    4   0.127282  -0.032360  -0.109360
+    1SOL     H5    5   0.084521  -0.117962  -0.106877
+    1SOL     H6    6   0.089991   0.010875  -0.186187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010118  -0.003096  -0.175185
+    0SOL     H2    2  -0.065565  -0.061195  -0.182860
+    0SOL     H3    3  -0.008899   0.051101  -0.098612
+    1SOL     O4    4   0.000643   0.007636   0.171259
+    1SOL     H5    5  -0.007905  -0.070812   0.225436
+    1SOL     H6    6  -0.080073   0.010226   0.119873
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038902   0.143808  -0.084230
+    0SOL     H2    2   0.043036   0.137804   0.011212
+    0SOL     H3    3   0.109119   0.204551  -0.107519
+    1SOL     O4    4  -0.042455  -0.140588   0.078682
+    1SOL     H5    5  -0.119079  -0.184479   0.115624
+    1SOL     H6    6   0.023135  -0.209799   0.070313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065529   0.112987  -0.113003
+    0SOL     H2    2   0.026310   0.034930  -0.152134
+    0SOL     H3    3   0.030236   0.185791  -0.164152
+    1SOL     O4    4  -0.065045  -0.109857   0.113912
+    1SOL     H5    5   0.030359  -0.103359   0.118163
+    1SOL     H6    6  -0.088472  -0.167177   0.186905
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.069085  -0.146780  -0.066787
+    0SOL     H2    2  -0.078239  -0.144519   0.028467
+    0SOL     H3    3   0.008976  -0.200007  -0.082137
+    1SOL     O4    4   0.064126   0.150093   0.069024
+    1SOL     H5    5   0.092963   0.071074   0.023344
+    1SOL     H6    6   0.056861   0.216271   0.000249
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081483   0.013031  -0.157982
+    0SOL     H2    2   0.002811   0.010933  -0.103498
+    0SOL     H3    3   0.076109  -0.066505  -0.210967
+    1SOL     O4    4  -0.076975  -0.002148   0.155609
+    1SOL     H5    5   0.002050  -0.051913   0.176605
+    1SOL     H6    6  -0.148806  -0.063443   0.171275
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106291   0.143702  -0.028434
+    0SOL     H2    2  -0.145393   0.122461  -0.113182
+    0SOL     H3    3  -0.127024   0.068530   0.027079
+    1SOL     O4    4   0.106071  -0.143041   0.033654
+    1SOL     H5    5   0.194543  -0.151640  -0.001859
+    1SOL     H6    6   0.082734  -0.051531   0.018042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038863  -0.032526   0.172370
+    0SOL     H2    2  -0.061086   0.010982   0.254684
+    0SOL     H3    3  -0.099256  -0.106617   0.167320
+    1SOL     O4    4   0.039197   0.030187  -0.178444
+    1SOL     H5    5   0.043975   0.070227  -0.091633
+    1SOL     H6    6   0.112701   0.068255  -0.226510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022398  -0.157898  -0.105795
+    0SOL     H2    2  -0.070508  -0.127919  -0.028665
+    0SOL     H3    3  -0.090433  -0.183778  -0.167955
+    1SOL     O4    4   0.025409   0.151893   0.105518
+    1SOL     H5    5   0.027792   0.213011   0.031889
+    1SOL     H6    6   0.093717   0.183127   0.164854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018545   0.007506   0.195606
+    0SOL     H2    2  -0.036463  -0.038870   0.132473
+    0SOL     H3    3   0.107921  -0.006241   0.164217
+    1SOL     O4    4  -0.017506  -0.005246  -0.183942
+    1SOL     H5    5   0.000850   0.063477  -0.247994
+    1SOL     H6    6  -0.087170  -0.057319  -0.223912
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016239   0.094930  -0.162054
+    0SOL     H2    2   0.067394   0.151124  -0.220258
+    0SOL     H3    3  -0.002684   0.017058  -0.214400
+    1SOL     O4    4  -0.013849  -0.097694   0.170110
+    1SOL     H5    5  -0.003715  -0.026172   0.107308
+    1SOL     H6    6  -0.100907  -0.084511   0.207653
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044546   0.137385  -0.127585
+    0SOL     H2    2   0.130877   0.160371  -0.093220
+    0SOL     H3    3   0.044061   0.172435  -0.216656
+    1SOL     O4    4  -0.052694  -0.141550   0.136901
+    1SOL     H5    5  -0.100222  -0.151385   0.054398
+    1SOL     H6    6   0.037573  -0.123590   0.110603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131456  -0.083593  -0.125120
+    0SOL     H2    2   0.059421  -0.022385  -0.140182
+    0SOL     H3    3   0.198485  -0.057809  -0.188403
+    1SOL     O4    4  -0.124864   0.077516   0.125811
+    1SOL     H5    5  -0.166209   0.017681   0.188043
+    1SOL     H6    6  -0.182351   0.154035   0.124276
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124099  -0.044966   0.159089
+    0SOL     H2    2  -0.165641   0.037936   0.182834
+    0SOL     H3    3  -0.038479  -0.042000   0.201783
+    1SOL     O4    4   0.115159   0.038342  -0.163515
+    1SOL     H5    5   0.163703   0.091460  -0.100393
+    1SOL     H6    6   0.181743   0.006953  -0.224700
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082774  -0.072799   0.185842
+    0SOL     H2    2  -0.102223  -0.027612   0.103731
+    0SOL     H3    3  -0.160776  -0.125456   0.203316
+    1SOL     O4    4   0.090789   0.079908  -0.180378
+    1SOL     H5    5   0.130074  -0.002621  -0.151953
+    1SOL     H6    6   0.015270   0.053665  -0.233013
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003350   0.178007  -0.118943
+    0SOL     H2    2  -0.050725   0.106647  -0.161671
+    0SOL     H3    3   0.020216   0.237284  -0.190309
+    1SOL     O4    4   0.006569  -0.182866   0.120828
+    1SOL     H5    5   0.020355  -0.088863   0.109180
+    1SOL     H6    6  -0.041288  -0.190052   0.203413
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054754   0.049538  -0.207116
+    0SOL     H2    2  -0.130352  -0.009165  -0.205985
+    0SOL     H3    3  -0.092167   0.136587  -0.220722
+    1SOL     O4    4   0.056656  -0.052520   0.204047
+    1SOL     H5    5   0.113120   0.024556   0.209829
+    1SOL     H6    6   0.088889  -0.111076   0.272564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108583  -0.051914  -0.196404
+    0SOL     H2    2   0.021767  -0.058006  -0.156552
+    0SOL     H3    3   0.094571  -0.002150  -0.276961
+    1SOL     O4    4  -0.108099   0.052244   0.195504
+    1SOL     H5    5  -0.062919   0.079453   0.275384
+    1SOL     H6    6  -0.062117  -0.026979   0.167725
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009228  -0.199752  -0.112252
+    0SOL     H2    2  -0.052486  -0.129999  -0.161501
+    0SOL     H3    3  -0.079731  -0.260387  -0.089560
+    1SOL     O4    4   0.011370   0.201735   0.118157
+    1SOL     H5    5   0.066844   0.248411   0.055657
+    1SOL     H6    6   0.023343   0.109272   0.096487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.158339  -0.154514  -0.078744
+    0SOL     H2    2   0.174180  -0.247682  -0.063540
+    0SOL     H3    3   0.065413  -0.149307  -0.101102
+    1SOL     O4    4  -0.159774   0.155697   0.076989
+    1SOL     H5    5  -0.070952   0.122006   0.088731
+    1SOL     H6    6  -0.153344   0.248579   0.099213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101415   0.063268  -0.229605
+    0SOL     H2    2   0.170384   0.119301  -0.194025
+    0SOL     H3    3   0.028967   0.072123  -0.167676
+    1SOL     O4    4  -0.094872  -0.065816   0.226658
+    1SOL     H5    5  -0.153495  -0.139725   0.242878
+    1SOL     H6    6  -0.147035  -0.004805   0.174514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039248   0.251068   0.018135
+    0SOL     H2    2   0.102673   0.289612  -0.042313
+    0SOL     H3    3   0.081864   0.255573   0.103726
+    1SOL     O4    4  -0.045307  -0.255974  -0.024965
+    1SOL     H5    5  -0.044168  -0.306193   0.056516
+    1SOL     H6    6  -0.041610  -0.164548   0.003140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128233   0.185854  -0.150900
+    0SOL     H2    2   0.203318   0.204270  -0.207339
+    0SOL     H3    3   0.136743   0.248003  -0.078599
+    1SOL     O4    4  -0.135227  -0.186207   0.155160
+    1SOL     H5    5  -0.160350  -0.276605   0.136203
+    1SOL     H6    6  -0.070022  -0.164916   0.088396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.141579   0.156221  -0.180272
+    0SOL     H2    2   0.139657   0.093988  -0.107570
+    0SOL     H3    3   0.233394   0.182432  -0.187005
+    1SOL     O4    4  -0.150125  -0.150242   0.171580
+    1SOL     H5    5  -0.093709  -0.225550   0.154025
+    1SOL     H6    6  -0.152816  -0.144012   0.267059
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.150517   0.080697   0.217808
+    0SOL     H2    2  -0.233262   0.126508   0.232537
+    0SOL     H3    3  -0.114467   0.121050   0.138851
+    1SOL     O4    4   0.153203  -0.091056  -0.213365
+    1SOL     H5    5   0.219538  -0.039298  -0.259005
+    1SOL     H6    6   0.087488  -0.027070  -0.185983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002921   0.289117   0.012130
+    0SOL     H2    2   0.043851   0.281242  -0.071013
+    0SOL     H3    3  -0.084609   0.241164  -0.001651
+    1SOL     O4    4   0.002589  -0.290166  -0.002288
+    1SOL     H5    5   0.025062  -0.197516   0.006271
+    1SOL     H6    6   0.018370  -0.310267  -0.094533
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.219424  -0.019377  -0.194116
+    0SOL     H2    2   0.128516  -0.038022  -0.217575
+    0SOL     H3    3   0.230567   0.073722  -0.213371
+    1SOL     O4    4  -0.217711   0.020858   0.195558
+    1SOL     H5    5  -0.251489  -0.051018   0.248992
+    1SOL     H6    6  -0.135173  -0.012274   0.160176
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061109  -0.031503  -0.293040
+    0SOL     H2    2  -0.032587  -0.037936  -0.274548
+    0SOL     H3    3   0.101081  -0.099030  -0.238225
+    1SOL     O4    4  -0.053543   0.033428   0.285038
+    1SOL     H5    5  -0.063712   0.015329   0.378480
+    1SOL     H6    6  -0.127041   0.090874   0.263583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091069  -0.191276   0.225738
+    0SOL     H2    2   0.068861  -0.182862   0.133011
+    0SOL     H3    3   0.126340  -0.105617   0.249837
+    1SOL     O4    4  -0.090006   0.180665  -0.224951
+    1SOL     H5    5  -0.139036   0.253452  -0.263166
+    1SOL     H6    6  -0.074290   0.207258  -0.134353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.191965  -0.043530  -0.264144
+    0SOL     H2    2  -0.179993  -0.138128  -0.255769
+    0SOL     H3    3  -0.150615  -0.007085  -0.185885
+    1SOL     O4    4   0.185951   0.047627   0.264166
+    1SOL     H5    5   0.205356   0.101260   0.187295
+    1SOL     H6    6   0.235563  -0.033048   0.250286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.170785   0.049796  -0.290833
+    0SOL     H2    2   0.195745  -0.017663  -0.227677
+    0SOL     H3    3   0.253326   0.091889  -0.314865
+    1SOL     O4    4  -0.177054  -0.056020   0.288716
+    1SOL     H5    5  -0.112732   0.000709   0.331222
+    1SOL     H6    6  -0.238825   0.004392   0.247520
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.164385   0.072060  -0.296400
+    0SOL     H2    2   0.202719   0.007429  -0.237106
+    0SOL     H3    3   0.237206   0.099793  -0.351991
+    1SOL     O4    4  -0.170626  -0.071778   0.302834
+    1SOL     H5    5  -0.121555  -0.002832   0.258104
+    1SOL     H6    6  -0.230346  -0.105810   0.236218
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035255  -0.374931  -0.105163
+    0SOL     H2    2   0.078038  -0.347716  -0.186349
+    0SOL     H3    3   0.052094  -0.303275  -0.043974
+    1SOL     O4    4  -0.038260   0.366185   0.111632
+    1SOL     H5    5  -0.098022   0.354990   0.037703
+    1SOL     H6    6   0.017818   0.439496   0.086272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.251511   0.155438  -0.291009
+    0SOL     H2    2  -0.313715   0.132860  -0.221848
+    0SOL     H3    3  -0.185879   0.209814  -0.247444
+    1SOL     O4    4   0.249932  -0.160570   0.279163
+    1SOL     H5    5   0.211993  -0.172937   0.366168
+    1SOL     H6    6   0.313405  -0.089823   0.290495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084581   0.413713  -0.020498
+    0SOL     H2    2  -0.008212   0.425225  -0.040973
+    0SOL     H3    3   0.088626   0.330451   0.026549
+    1SOL     O4    4  -0.084727  -0.415097   0.018582
+    1SOL     H5    5  -0.050375  -0.352351  -0.045020
+    1SOL     H6    6  -0.044386  -0.389666   0.101577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077898  -0.154937   0.459260
+    0SOL     H2    2  -0.114376  -0.133684   0.545167
+    0SOL     H3    3  -0.056400  -0.248053   0.464684
+    1SOL     O4    4   0.078144   0.166048  -0.463893
+    1SOL     H5    5   0.052201   0.101693  -0.397956
+    1SOL     H6    6   0.112145   0.113692  -0.536454
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.486067   0.293715  -0.220548
+    0SOL     H2    2  -0.509565   0.378042  -0.181830
+    0SOL     H3    3  -0.424589   0.315738  -0.290532
+    1SOL     O4    4   0.487025  -0.300229   0.217039
+    1SOL     H5    5   0.512618  -0.243086   0.289441
+    1SOL     H6    6   0.404325  -0.339245   0.245337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/520K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.809253  -0.450992   0.025162
+    0SOL     H2    2  -0.817382  -0.381734  -0.040409
+    0SOL     H3    3  -0.716920  -0.476066   0.022265
+    1SOL     O4    4   0.802793   0.443306  -0.024852
+    1SOL     H5    5   0.746629   0.519159  -0.008905
+    1SOL     H6    6   0.884883   0.464458   0.019601
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013762   0.078267   0.102944
+    0SOL     H2    2   0.001140   0.015890   0.031886
+    0SOL     H3    3  -0.044129   0.157763   0.059119
+    1SOL     O4    4   0.012067  -0.076875  -0.091734
+    1SOL     H5    5   0.000221  -0.047036  -0.181909
+    1SOL     H6    6   0.072514  -0.150771  -0.098653
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101166   0.068983   0.045883
+    0SOL     H2    2  -0.008628   0.045361   0.052293
+    0SOL     H3    3  -0.105663   0.128254  -0.029144
+    1SOL     O4    4   0.099037  -0.067103  -0.045985
+    1SOL     H5    5   0.005140  -0.085692  -0.046432
+    1SOL     H6    6   0.133126  -0.117492   0.027914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074713  -0.022497   0.115263
+    0SOL     H2    2  -0.033801  -0.020685   0.028745
+    0SOL     H3    3  -0.043943   0.057414   0.158038
+    1SOL     O4    4   0.065523   0.021167  -0.109210
+    1SOL     H5    5   0.159573   0.024403  -0.091704
+    1SOL     H6    6   0.056678  -0.041056  -0.181407
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109723   0.049547   0.066415
+    0SOL     H2    2   0.171101  -0.021531   0.084936
+    0SOL     H3    3   0.039319   0.008077   0.016557
+    1SOL     O4    4  -0.104017  -0.043491  -0.062004
+    1SOL     H5    5  -0.130921  -0.112312  -0.122851
+    1SOL     H6    6  -0.178985   0.015908  -0.058288
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026855  -0.123428  -0.021769
+    0SOL     H2    2  -0.110967  -0.163740  -0.043274
+    0SOL     H3    3   0.038137  -0.189919  -0.044512
+    1SOL     O4    4   0.023175   0.134610   0.025357
+    1SOL     H5    5   0.010976   0.039676   0.026388
+    1SOL     H6    6   0.115901   0.146670   0.004895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.102114  -0.021694  -0.095099
+    0SOL     H2    2  -0.161255   0.042540  -0.055873
+    0SOL     H3    3  -0.020265  -0.011793  -0.046469
+    1SOL     O4    4   0.095648   0.020271   0.087060
+    1SOL     H5    5   0.119499  -0.071453   0.073638
+    1SOL     H6    6   0.163258   0.054324   0.145639
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034551   0.133548   0.019197
+    0SOL     H2    2   0.031642   0.202579   0.015266
+    0SOL     H3    3   0.015622   0.052794   0.030328
+    1SOL     O4    4   0.026798  -0.133202  -0.025762
+    1SOL     H5    5  -0.041000  -0.140746   0.041386
+    1SOL     H6    6   0.107030  -0.114826   0.023101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080070  -0.103924  -0.009318
+    0SOL     H2    2   0.057640  -0.173339   0.052656
+    0SOL     H3    3   0.174843  -0.111415  -0.020473
+    1SOL     O4    4  -0.082980   0.114084   0.002595
+    1SOL     H5    5  -0.163482   0.092881   0.049841
+    1SOL     H6    6  -0.024864   0.039985   0.019746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078656  -0.108125  -0.015948
+    0SOL     H2    2  -0.094848  -0.181080  -0.075763
+    0SOL     H3    3  -0.014207  -0.141922   0.046232
+    1SOL     O4    4   0.081966   0.113075   0.013292
+    1SOL     H5    5   0.003261   0.058849   0.008058
+    1SOL     H6    6   0.056366   0.187313   0.068024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017403   0.130284  -0.046220
+    0SOL     H2    2  -0.024542   0.212178  -0.019830
+    0SOL     H3    3  -0.011540   0.066413   0.018934
+    1SOL     O4    4  -0.017815  -0.128516   0.039873
+    1SOL     H5    5  -0.005000  -0.218445   0.009693
+    1SOL     H6    6   0.065234  -0.105029   0.081268
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126889   0.041107  -0.013283
+    0SOL     H2    2  -0.148747   0.132330   0.005769
+    0SOL     H3    3  -0.140681   0.032318  -0.107595
+    1SOL     O4    4   0.128121  -0.051706   0.019375
+    1SOL     H5    5   0.069246   0.023675   0.023107
+    1SOL     H6    6   0.211256  -0.015718  -0.011541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024502   0.081630   0.112854
+    0SOL     H2    2   0.013583   0.167146   0.132828
+    0SOL     H3    3   0.035034   0.043296   0.048447
+    1SOL     O4    4   0.023614  -0.085182  -0.104591
+    1SOL     H5    5  -0.051567  -0.137844  -0.131739
+    1SOL     H6    6   0.029099  -0.015616  -0.170111
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041594   0.128406  -0.008951
+    0SOL     H2    2   0.088759   0.113930  -0.090977
+    0SOL     H3    3   0.025573   0.222752  -0.006808
+    1SOL     O4    4  -0.048472  -0.136534   0.012788
+    1SOL     H5    5   0.027482  -0.138164  -0.045442
+    1SOL     H6    6  -0.027246  -0.069813   0.078057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033287  -0.108990  -0.081001
+    0SOL     H2    2  -0.049382  -0.193193  -0.123581
+    0SOL     H3    3  -0.032058  -0.129247   0.012543
+    1SOL     O4    4   0.040837   0.113432   0.077880
+    1SOL     H5    5   0.003259   0.182479   0.132494
+    1SOL     H6    6  -0.032019   0.083558   0.023457
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132128  -0.031020   0.059166
+    0SOL     H2    2  -0.134086  -0.058496  -0.032505
+    0SOL     H3    3  -0.059222  -0.079918   0.097323
+    1SOL     O4    4   0.123689   0.035536  -0.061417
+    1SOL     H5    5   0.213502   0.002694  -0.057255
+    1SOL     H6    6   0.105934   0.068111   0.026821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123083   0.063328   0.034723
+    0SOL     H2    2   0.215888   0.040526   0.040171
+    0SOL     H3    3   0.116150   0.146887   0.080898
+    1SOL     O4    4  -0.133786  -0.064591  -0.041398
+    1SOL     H5    5  -0.115646  -0.048806   0.051252
+    1SOL     H6    6  -0.054714  -0.107258  -0.074404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080292   0.019649   0.119473
+    0SOL     H2    2  -0.069259  -0.075294   0.114329
+    0SOL     H3    3  -0.078483   0.038976   0.213203
+    1SOL     O4    4   0.085708  -0.014613  -0.123167
+    1SOL     H5    5   0.052491  -0.044142  -0.207943
+    1SOL     H6    6   0.007140   0.004606  -0.071980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096535  -0.007519  -0.108566
+    0SOL     H2    2  -0.161529  -0.054464  -0.056277
+    0SOL     H3    3  -0.102952  -0.046709  -0.195660
+    1SOL     O4    4   0.095366   0.009084   0.114471
+    1SOL     H5    5   0.076316   0.017078   0.021008
+    1SOL     H6    6   0.186002   0.038631   0.123102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055604   0.010262  -0.135178
+    0SOL     H2    2  -0.033707   0.021393  -0.167765
+    0SOL     H3    3   0.090669  -0.063008  -0.185816
+    1SOL     O4    4  -0.049599  -0.001859   0.136695
+    1SOL     H5    5  -0.067689  -0.004633   0.230649
+    1SOL     H6    6  -0.086882  -0.083187   0.102666
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092374   0.120728  -0.013262
+    0SOL     H2    2  -0.034458   0.044648  -0.017734
+    0SOL     H3    3  -0.178330   0.086969  -0.038446
+    1SOL     O4    4   0.096359  -0.108918   0.014167
+    1SOL     H5    5   0.067412  -0.164614  -0.058098
+    1SOL     H6    6   0.085562  -0.163302   0.092194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.038426  -0.138296  -0.012157
+    0SOL     H2    2  -0.045377  -0.183831  -0.020274
+    0SOL     H3    3   0.097161  -0.202929   0.027023
+    1SOL     O4    4  -0.039818   0.147618   0.004700
+    1SOL     H5    5  -0.038008   0.055784   0.031637
+    1SOL     H6    6   0.010192   0.193431   0.072246
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001434  -0.127582   0.082157
+    0SOL     H2    2  -0.081953  -0.174432   0.060154
+    0SOL     H3    3   0.043558  -0.116538  -0.001605
+    1SOL     O4    4   0.000793   0.133287  -0.079847
+    1SOL     H5    5   0.068174   0.067376  -0.096513
+    1SOL     H6    6  -0.009685   0.133370   0.015298
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035106  -0.148362   0.023432
+    0SOL     H2    2   0.024127  -0.053300   0.021188
+    0SOL     H3    3   0.127271  -0.162394   0.001727
+    1SOL     O4    4  -0.035405   0.137915  -0.020842
+    1SOL     H5    5  -0.125305   0.148822   0.010164
+    1SOL     H6    6  -0.017322   0.217688  -0.070559
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093850   0.074022   0.085893
+    0SOL     H2    2  -0.152931   0.114853   0.149175
+    0SOL     H3    3  -0.044432   0.147035   0.048620
+    1SOL     O4    4   0.091522  -0.084430  -0.090485
+    1SOL     H5    5   0.127175  -0.000869  -0.120631
+    1SOL     H6    6   0.106590  -0.084248   0.004042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022713  -0.077790  -0.132021
+    0SOL     H2    2   0.023256  -0.057836  -0.038406
+    0SOL     H3    3   0.079435  -0.154420  -0.140555
+    1SOL     O4    4  -0.026512   0.081130   0.120318
+    1SOL     H5    5   0.042461   0.117476   0.175852
+    1SOL     H6    6  -0.089607   0.043710   0.181808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119792  -0.012190   0.090126
+    0SOL     H2    2  -0.174609  -0.083018   0.123904
+    0SOL     H3    3  -0.045397  -0.008661   0.150253
+    1SOL     O4    4   0.124128   0.016822  -0.091661
+    1SOL     H5    5   0.119403  -0.034581  -0.172270
+    1SOL     H6    6   0.035252   0.050104  -0.079178
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.087901  -0.021693  -0.132683
+    0SOL     H2    2  -0.103659  -0.009877  -0.039011
+    0SOL     H3    3  -0.003456  -0.066521  -0.137346
+    1SOL     O4    4   0.080610   0.018035   0.124198
+    1SOL     H5    5   0.172007   0.044126   0.135519
+    1SOL     H6    6   0.030171   0.091666   0.158792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006594  -0.069949   0.144782
+    0SOL     H2    2   0.016378  -0.123611   0.066124
+    0SOL     H3    3  -0.061955  -0.006968   0.122493
+    1SOL     O4    4  -0.006408   0.065743  -0.135435
+    1SOL     H5    5   0.078416   0.109317  -0.127161
+    1SOL     H6    6  -0.036469   0.088262  -0.223478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131662  -0.087448   0.018971
+    0SOL     H2    2   0.103455  -0.171167   0.055818
+    0SOL     H3    3   0.065384  -0.024844   0.048131
+    1SOL     O4    4  -0.122145   0.084610  -0.023921
+    1SOL     H5    5  -0.114780   0.165414   0.026861
+    1SOL     H6    6  -0.215027   0.078702  -0.046286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110980   0.045328  -0.099601
+    0SOL     H2    2   0.038123   0.094855  -0.062167
+    0SOL     H3    3   0.110944   0.068995  -0.192349
+    1SOL     O4    4  -0.109265  -0.047412   0.097694
+    1SOL     H5    5  -0.118755  -0.009787   0.185197
+    1SOL     H6    6  -0.054925  -0.125123   0.110750
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.145618  -0.065030   0.005912
+    0SOL     H2    2   0.196757  -0.051901   0.085754
+    0SOL     H3    3   0.059401  -0.028857   0.026415
+    1SOL     O4    4  -0.144020   0.055378  -0.011345
+    1SOL     H5    5  -0.135932   0.111363  -0.088563
+    1SOL     H6    6  -0.144565   0.116279   0.062501
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044403  -0.025714  -0.151522
+    0SOL     H2    2   0.077951  -0.059356  -0.068426
+    0SOL     H3    3  -0.018786  -0.091590  -0.180327
+    1SOL     O4    4  -0.043449   0.025372   0.151803
+    1SOL     H5    5  -0.030061   0.113102   0.187670
+    1SOL     H6    6  -0.044742   0.038163   0.056950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012120  -0.130477  -0.103510
+    0SOL     H2    2  -0.093530  -0.083218  -0.120870
+    0SOL     H3    3   0.042483  -0.067658  -0.056237
+    1SOL     O4    4   0.011794   0.119049   0.104717
+    1SOL     H5    5   0.099367   0.157330   0.099446
+    1SOL     H6    6  -0.043222   0.177757   0.052862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016637  -0.067578   0.145369
+    0SOL     H2    2   0.006038  -0.089830   0.052876
+    0SOL     H3    3  -0.007885  -0.147370   0.192212
+    1SOL     O4    4  -0.017203   0.066754  -0.142561
+    1SOL     H5    5   0.072923   0.093246  -0.124183
+    1SOL     H6    6  -0.060607   0.147271  -0.170765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.155058   0.023456  -0.000916
+    0SOL     H2    2  -0.212935  -0.029851  -0.055422
+    0SOL     H3    3  -0.181948   0.113639  -0.018418
+    1SOL     O4    4   0.164390  -0.021278   0.005662
+    1SOL     H5    5   0.131640  -0.082873   0.071205
+    1SOL     H6    6   0.110707  -0.037896  -0.071826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.105613  -0.081225  -0.084677
+    0SOL     H2    2  -0.154188  -0.069988  -0.166387
+    0SOL     H3    3  -0.032733  -0.138807  -0.107808
+    1SOL     O4    4   0.101102   0.081104   0.096604
+    1SOL     H5    5   0.064341   0.128118   0.021767
+    1SOL     H6    6   0.195140   0.077818   0.079042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071455  -0.139089   0.009677
+    0SOL     H2    2   0.081642  -0.200452   0.082431
+    0SOL     H3    3   0.059809  -0.194818  -0.067270
+    1SOL     O4    4  -0.073877   0.150487  -0.014129
+    1SOL     H5    5  -0.121158   0.115068   0.061186
+    1SOL     H6    6   0.011262   0.106807  -0.011724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102399   0.095966   0.076587
+    0SOL     H2    2   0.093681   0.187080   0.104597
+    0SOL     H3    3   0.066299   0.045001   0.149124
+    1SOL     O4    4  -0.100550  -0.094641  -0.088812
+    1SOL     H5    5  -0.018064  -0.105253  -0.041422
+    1SOL     H6    6  -0.165024  -0.141121  -0.035472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035513  -0.136760  -0.073141
+    0SOL     H2    2  -0.001509  -0.189555  -0.143883
+    0SOL     H3    3   0.025591  -0.191069   0.005054
+    1SOL     O4    4  -0.036559   0.147980   0.071566
+    1SOL     H5    5  -0.047097   0.070463   0.126725
+    1SOL     H6    6   0.050315   0.138086   0.032613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.087148  -0.046295   0.140403
+    0SOL     H2    2   0.093037  -0.024102   0.047478
+    0SOL     H3    3   0.014570  -0.108480   0.145672
+    1SOL     O4    4  -0.079291   0.044373  -0.139123
+    1SOL     H5    5  -0.064902   0.135208  -0.112584
+    1SOL     H6    6  -0.160398   0.019054  -0.095044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068751  -0.059485  -0.144348
+    0SOL     H2    2  -0.015663  -0.060323  -0.099227
+    0SOL     H3    3   0.069162  -0.140080  -0.195987
+    1SOL     O4    4  -0.057764   0.060842   0.144576
+    1SOL     H5    5  -0.078863   0.142019   0.190700
+    1SOL     H6    6  -0.140177   0.034324   0.103745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033057   0.102775   0.139283
+    0SOL     H2    2  -0.105378   0.143294   0.091427
+    0SOL     H3    3   0.025981   0.070851   0.071035
+    1SOL     O4    4   0.032035  -0.109429  -0.131721
+    1SOL     H5    5   0.116298  -0.066951  -0.115668
+    1SOL     H6    6  -0.023430  -0.040022  -0.167337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024505  -0.159064  -0.040143
+    0SOL     H2    2   0.023262  -0.152139  -0.122803
+    0SOL     H3    3  -0.054801  -0.249824  -0.037464
+    1SOL     O4    4   0.022166   0.167900   0.049194
+    1SOL     H5    5   0.085596   0.096270   0.052071
+    1SOL     H6    6  -0.012748   0.165474  -0.039898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094929  -0.145589  -0.003796
+    0SOL     H2    2  -0.165027  -0.145904   0.061385
+    0SOL     H3    3  -0.098120  -0.057901  -0.042046
+    1SOL     O4    4   0.094566   0.141146  -0.002730
+    1SOL     H5    5   0.163140   0.203917   0.020064
+    1SOL     H6    6   0.106894   0.068777   0.058695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045437   0.118992   0.120134
+    0SOL     H2    2   0.021238   0.036717   0.077618
+    0SOL     H3    3   0.088102   0.092290   0.201553
+    1SOL     O4    4  -0.045761  -0.106563  -0.118209
+    1SOL     H5    5   0.007755  -0.185920  -0.119154
+    1SOL     H6    6  -0.112981  -0.122157  -0.184545
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076314  -0.127874  -0.082847
+    0SOL     H2    2   0.134214  -0.076464  -0.139123
+    0SOL     H3    3   0.055705  -0.205822  -0.134438
+    1SOL     O4    4  -0.082373   0.134541   0.089035
+    1SOL     H5    5  -0.049831   0.086371   0.012989
+    1SOL     H6    6  -0.046975   0.087244   0.164350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.166745   0.031464   0.040316
+    0SOL     H2    2   0.247676   0.051401  -0.006748
+    0SOL     H3    3   0.113530   0.110492   0.031093
+    1SOL     O4    4  -0.170296  -0.039634  -0.042801
+    1SOL     H5    5  -0.111656   0.033142  -0.022128
+    1SOL     H6    6  -0.201651  -0.070121   0.042345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.133384   0.083628  -0.076884
+    0SOL     H2    2  -0.216225   0.051063  -0.041681
+    0SOL     H3    3  -0.110000   0.156639  -0.019569
+    1SOL     O4    4   0.136856  -0.081076   0.076919
+    1SOL     H5    5   0.084058  -0.084156  -0.002864
+    1SOL     H6    6   0.195019  -0.156796   0.070144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077085  -0.045918  -0.166031
+    0SOL     H2    2  -0.003812   0.011470  -0.188390
+    0SOL     H3    3  -0.045014  -0.098288  -0.092607
+    1SOL     O4    4   0.068943   0.050178   0.159353
+    1SOL     H5    5   0.094267  -0.039715   0.138370
+    1SOL     H6    6   0.082529   0.057509   0.253820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083036  -0.089922  -0.133017
+    0SOL     H2    2   0.130856  -0.167528  -0.162220
+    0SOL     H3    3   0.146828  -0.040322  -0.081708
+    1SOL     O4    4  -0.087389   0.085856   0.133651
+    1SOL     H5    5  -0.141317   0.108499   0.057879
+    1SOL     H6    6  -0.067287   0.169919   0.174781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047131   0.087777  -0.158097
+    0SOL     H2    2   0.050220   0.038253  -0.239951
+    0SOL     H3    3  -0.004864   0.033284  -0.099026
+    1SOL     O4    4  -0.038416  -0.080543   0.157789
+    1SOL     H5    5  -0.082705  -0.165390   0.159113
+    1SOL     H6    6  -0.103771  -0.018840   0.190708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148624  -0.075502  -0.087355
+    0SOL     H2    2   0.237539  -0.093433  -0.056778
+    0SOL     H3    3   0.114957  -0.010027  -0.026184
+    1SOL     O4    4  -0.152536   0.073592   0.075872
+    1SOL     H5    5  -0.215569   0.045672   0.142277
+    1SOL     H6    6  -0.071149   0.087381   0.124331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115172   0.079023   0.129884
+    0SOL     H2    2  -0.033947   0.087196   0.179863
+    0SOL     H3    3  -0.122407  -0.014532   0.110978
+    1SOL     O4    4   0.115925  -0.070281  -0.133182
+    1SOL     H5    5   0.078125  -0.084821  -0.046452
+    1SOL     H6    6   0.069370  -0.131455  -0.190215
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.117141   0.151703   0.025828
+    0SOL     H2    2   0.056167   0.194093   0.086223
+    0SOL     H3    3   0.065981   0.137362  -0.053792
+    1SOL     O4    4  -0.108557  -0.147717  -0.027641
+    1SOL     H5    5  -0.060353  -0.208787   0.028118
+    1SOL     H6    6  -0.196377  -0.185254  -0.034031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.184603   0.050872   0.005058
+    0SOL     H2    2  -0.243384   0.109091  -0.043083
+    0SOL     H3    3  -0.213290  -0.037277  -0.018800
+    1SOL     O4    4   0.192580  -0.045044   0.003664
+    1SOL     H5    5   0.168528  -0.137239   0.012821
+    1SOL     H6    6   0.167131  -0.022373  -0.085783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001775  -0.013401   0.207715
+    0SOL     H2    2   0.063869  -0.017266   0.134970
+    0SOL     H3    3  -0.059292  -0.085186   0.190981
+    1SOL     O4    4   0.000613   0.019018  -0.209081
+    1SOL     H5    5  -0.084798  -0.019002  -0.188543
+    1SOL     H6    6   0.042735   0.030806  -0.123939
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.167321  -0.013466  -0.114624
+    0SOL     H2    2   0.184802  -0.097149  -0.157680
+    0SOL     H3    3   0.106396   0.031417  -0.173241
+    1SOL     O4    4  -0.160388   0.019229   0.115766
+    1SOL     H5    5  -0.222394  -0.051012   0.096171
+    1SOL     H6    6  -0.166503   0.030881   0.210577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039666   0.168129  -0.110662
+    0SOL     H2    2  -0.008254   0.094059  -0.147804
+    0SOL     H3    3  -0.018585   0.243061  -0.123093
+    1SOL     O4    4  -0.030486  -0.164098   0.116515
+    1SOL     H5    5  -0.044570  -0.169877   0.022014
+    1SOL     H6    6  -0.069649  -0.244104   0.151553
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051102   0.186430   0.084514
+    0SOL     H2    2  -0.032217   0.229067   0.064454
+    0SOL     H3    3   0.033828   0.093071   0.072345
+    1SOL     O4    4  -0.041953  -0.183742  -0.076878
+    1SOL     H5    5  -0.079574  -0.105068  -0.116342
+    1SOL     H6    6  -0.060915  -0.253487  -0.139635
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048000  -0.130913   0.156263
+    0SOL     H2    2  -0.133437  -0.169214   0.136364
+    0SOL     H3    3   0.004766  -0.148122   0.078276
+    1SOL     O4    4   0.043686   0.130058  -0.148900
+    1SOL     H5    5   0.053019   0.198207  -0.215465
+    1SOL     H6    6   0.128272   0.128504  -0.104122
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030170   0.195029   0.061576
+    0SOL     H2    2   0.037106   0.232709   0.149293
+    0SOL     H3    3  -0.063980   0.187083   0.046246
+    1SOL     O4    4  -0.023471  -0.202194  -0.063545
+    1SOL     H5    5   0.021746  -0.118392  -0.073286
+    1SOL     H6    6  -0.111963  -0.185638  -0.096061
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.147352   0.171988  -0.062483
+    0SOL     H2    2  -0.071324   0.211142  -0.105485
+    0SOL     H3    3  -0.126093   0.078866  -0.056266
+    1SOL     O4    4   0.146767  -0.165636   0.060681
+    1SOL     H5    5   0.138825  -0.170462   0.155949
+    1SOL     H6    6   0.072706  -0.216595   0.027813
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.164471   0.087873   0.138979
+    0SOL     H2    2  -0.222295   0.117895   0.068855
+    0SOL     H3    3  -0.223499   0.066315   0.211182
+    1SOL     O4    4   0.175643  -0.087994  -0.134423
+    1SOL     H5    5   0.115382  -0.019016  -0.162226
+    1SOL     H6    6   0.154684  -0.162375  -0.190908
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.230215  -0.031516  -0.073263
+    0SOL     H2    2  -0.204891  -0.123055  -0.085161
+    0SOL     H3    3  -0.147231   0.016036  -0.069414
+    1SOL     O4    4   0.217707   0.032904   0.073633
+    1SOL     H5    5   0.273213   0.060014   0.000514
+    1SOL     H6    6   0.276789   0.030194   0.148895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050745   0.166175  -0.169305
+    0SOL     H2    2  -0.101232   0.084942  -0.173101
+    0SOL     H3    3  -0.035037   0.188974  -0.260934
+    1SOL     O4    4   0.051296  -0.168180   0.170923
+    1SOL     H5    5   0.007053  -0.147042   0.253131
+    1SOL     H6    6   0.116253  -0.098715   0.160078
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.250757   0.012757  -0.051163
+    0SOL     H2    2   0.209694   0.062241  -0.122068
+    0SOL     H3    3   0.180520  -0.000820   0.012434
+    1SOL     O4    4  -0.245891  -0.019037   0.046026
+    1SOL     H5    5  -0.276954   0.070569   0.058997
+    1SOL     H6    6  -0.192639  -0.037416   0.123413
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011613   0.102703  -0.231146
+    0SOL     H2    2   0.012010   0.129617  -0.142378
+    0SOL     H3    3   0.054891   0.143023  -0.286948
+    1SOL     O4    4   0.005305  -0.100329   0.227810
+    1SOL     H5    5   0.026365  -0.145123   0.309739
+    1SOL     H6    6   0.003870  -0.169912   0.162096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050254   0.037830   0.252653
+    0SOL     H2    2  -0.015451   0.026372   0.321311
+    0SOL     H3    3   0.106257  -0.039459   0.259891
+    1SOL     O4    4  -0.046860  -0.035093  -0.262175
+    1SOL     H5    5  -0.067609  -0.097226  -0.192380
+    1SOL     H6    6  -0.077112   0.049393  -0.228869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033979   0.250361  -0.093166
+    0SOL     H2    2  -0.044814   0.165527  -0.050178
+    0SOL     H3    3   0.012657   0.230356  -0.174328
+    1SOL     O4    4   0.035135  -0.250810   0.091189
+    1SOL     H5    5   0.063742  -0.215657   0.175499
+    1SOL     H6    6  -0.038004  -0.194716   0.065371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.210475   0.122253   0.129098
+    0SOL     H2    2  -0.300341   0.135856   0.099077
+    0SOL     H3    3  -0.217098   0.051738   0.193489
+    1SOL     O4    4   0.220288  -0.118805  -0.126028
+    1SOL     H5    5   0.218975  -0.064211  -0.204641
+    1SOL     H6    6   0.143818  -0.175671  -0.135022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.182688   0.051556  -0.239349
+    0SOL     H2    2   0.240238  -0.014011  -0.199962
+    0SOL     H3    3   0.219872   0.135498  -0.212265
+    1SOL     O4    4  -0.183879  -0.055346   0.230715
+    1SOL     H5    5  -0.195089   0.036295   0.255983
+    1SOL     H6    6  -0.243140  -0.103563   0.288383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.157089  -0.195372   0.205431
+    0SOL     H2    2  -0.226299  -0.136235   0.175848
+    0SOL     H3    3  -0.083776  -0.177942   0.146408
+    1SOL     O4    4   0.154898   0.187386  -0.205294
+    1SOL     H5    5   0.172488   0.281462  -0.203665
+    1SOL     H6    6   0.168840   0.158797  -0.115014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.280589  -0.006974  -0.156799
+    0SOL     H2    2  -0.200029   0.032905  -0.189694
+    0SOL     H3    3  -0.278164  -0.096763  -0.189880
+    1SOL     O4    4   0.274729   0.004444   0.165134
+    1SOL     H5    5   0.355701   0.053827   0.152199
+    1SOL     H6    6   0.214801   0.038838   0.098892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056784   0.084195  -0.311419
+    0SOL     H2    2   0.127403   0.023712  -0.288679
+    0SOL     H3    3   0.081452   0.166695  -0.269617
+    1SOL     O4    4  -0.058724  -0.088004   0.311280
+    1SOL     H5    5  -0.146396  -0.053859   0.328888
+    1SOL     H6    6  -0.048745  -0.080708   0.216361
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.321849   0.025927   0.003142
+    0SOL     H2    2   0.303182   0.073521  -0.077782
+    0SOL     H3    3   0.417410   0.022454   0.007442
+    1SOL     O4    4  -0.329557  -0.023712  -0.000992
+    1SOL     H5    5  -0.264492  -0.021608   0.069182
+    1SOL     H6    6  -0.340023  -0.116680  -0.021236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.293391  -0.121829  -0.088504
+    0SOL     H2    2  -0.291198  -0.217198  -0.080618
+    0SOL     H3    3  -0.384510  -0.098381  -0.070902
+    1SOL     O4    4   0.298993   0.124488   0.081772
+    1SOL     H5    5   0.222092   0.118422   0.138445
+    1SOL     H6    6   0.365212   0.167700   0.135717
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.008117  -0.349797   0.086612
+    0SOL     H2    2   0.028792  -0.408667   0.020776
+    0SOL     H3    3  -0.032460  -0.271251   0.037620
+    1SOL     O4    4   0.010660   0.354051  -0.078873
+    1SOL     H5    5  -0.034966   0.293935  -0.019994
+    1SOL     H6    6  -0.001599   0.316269  -0.165962
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.336838   0.064264   0.119286
+    0SOL     H2    2   0.302817   0.137244   0.067529
+    0SOL     H3    3   0.393362   0.016231   0.058786
+    1SOL     O4    4  -0.340791  -0.066700  -0.106732
+    1SOL     H5    5  -0.388899  -0.049809  -0.187742
+    1SOL     H6    6  -0.248700  -0.065483  -0.132811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.249467  -0.268193   0.073695
+    0SOL     H2    2   0.159517  -0.285569   0.101435
+    0SOL     H3    3   0.287170  -0.354908   0.058823
+    1SOL     O4    4  -0.242756   0.274371  -0.078781
+    1SOL     H5    5  -0.219838   0.248316   0.010428
+    1SOL     H6    6  -0.338236   0.281100  -0.078038
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.377729  -0.143801   0.110063
+    0SOL     H2    2  -0.287009  -0.169556   0.093664
+    0SOL     H3    3  -0.429188  -0.197501   0.049808
+    1SOL     O4    4   0.378607   0.143044  -0.102629
+    1SOL     H5    5   0.350912   0.223737  -0.059224
+    1SOL     H6    6   0.352796   0.154888  -0.194040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.232524   0.372108  -0.205818
+    0SOL     H2    2   0.167499   0.441561  -0.195309
+    0SOL     H3    3   0.276298   0.367158  -0.120837
+    1SOL     O4    4  -0.232692  -0.371170   0.195016
+    1SOL     H5    5  -0.289099  -0.438476   0.233101
+    1SOL     H6    6  -0.148900  -0.381776   0.240057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.356225   0.256402   0.232550
+    0SOL     H2    2  -0.402701   0.340056   0.234639
+    0SOL     H3    3  -0.421855   0.193212   0.203188
+    1SOL     O4    4   0.366487  -0.261072  -0.227624
+    1SOL     H5    5   0.272790  -0.251263  -0.210685
+    1SOL     H6    6   0.383032  -0.205585  -0.303846
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037578   0.487414   0.096266
+    0SOL     H2    2  -0.086263   0.465581   0.175736
+    0SOL     H3    3   0.009298   0.567936   0.118200
+    1SOL     O4    4   0.034214  -0.487519  -0.105681
+    1SOL     H5    5   0.069288  -0.575997  -0.115870
+    1SOL     H6    6   0.064342  -0.459568  -0.019233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.368808   0.097341  -0.348102
+    0SOL     H2    2  -0.362304   0.105276  -0.252933
+    0SOL     H3    3  -0.389435   0.185831  -0.378207
+    1SOL     O4    4   0.366336  -0.099418   0.348828
+    1SOL     H5    5   0.328117  -0.146356   0.274677
+    1SOL     H6    6   0.460579  -0.113897   0.340399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.443511   0.097646  -0.249366
+    0SOL     H2    2   0.536489   0.119638  -0.243550
+    0SOL     H3    3   0.409793   0.112375  -0.161000
+    1SOL     O4    4  -0.447279  -0.101752   0.239057
+    1SOL     H5    5  -0.392112  -0.028060   0.265294
+    1SOL     H6    6  -0.487457  -0.131861   0.320553
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.325848  -0.405729  -0.066361
+    0SOL     H2    2  -0.381626  -0.386742   0.009075
+    0SOL     H3    3  -0.386600  -0.434583  -0.134471
+    1SOL     O4    4   0.327705   0.403933   0.066370
+    1SOL     H5    5   0.409661   0.372689   0.104701
+    1SOL     H6    6   0.351394   0.485542   0.022312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.327390   0.435000  -0.111179
+    0SOL     H2    2   0.285051   0.365168  -0.061247
+    0SOL     H3    3   0.271386   0.447015  -0.187870
+    1SOL     O4    4  -0.327487  -0.429444   0.111640
+    1SOL     H5    5  -0.253243  -0.388472   0.156041
+    1SOL     H6    6  -0.296709  -0.517350   0.089556
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.541944  -0.031723  -0.196601
+    0SOL     H2    2   0.517848   0.040452  -0.254674
+    0SOL     H3    3   0.538650   0.006063  -0.108716
+    1SOL     O4    4  -0.539743   0.026565   0.201754
+    1SOL     H5    5  -0.476136  -0.012342   0.141732
+    1SOL     H6    6  -0.616387   0.044388   0.147253
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.650277  -0.020654   0.244243
+    0SOL     H2    2  -0.566429   0.008620   0.279948
+    0SOL     H3    3  -0.660873  -0.109678   0.277779
+    1SOL     O4    4   0.648445   0.024319  -0.241021
+    1SOL     H5    5   0.703351  -0.007338  -0.312753
+    1SOL     H6    6   0.563724   0.042302  -0.281781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/530K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.355539   0.323285   0.556439
+    0SOL     H2    2  -0.339818   0.241970   0.508448
+    0SOL     H3    3  -0.268094   0.355822   0.577820
+    1SOL     O4    4   0.353788  -0.325746  -0.554553
+    1SOL     H5    5   0.385406  -0.236369  -0.541351
+    1SOL     H6    6   0.259616  -0.316046  -0.568686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068705  -0.047309   0.087318
+    0SOL     H2    2  -0.134131  -0.097943   0.135463
+    0SOL     H3    3   0.009675  -0.051101   0.142130
+    1SOL     O4    4   0.073922   0.049003  -0.097182
+    1SOL     H5    5   0.034054  -0.004216  -0.028329
+    1SOL     H6    6   0.018101   0.126549  -0.102929
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052216   0.069367   0.101953
+    0SOL     H2    2  -0.052860   0.019949   0.019979
+    0SOL     H3    3  -0.113874   0.141087   0.087223
+    1SOL     O4    4   0.056089  -0.069906  -0.089017
+    1SOL     H5    5   0.015250  -0.141099  -0.138272
+    1SOL     H6    6   0.093568  -0.012765  -0.156044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084091   0.054708  -0.092068
+    0SOL     H2    2   0.023452   0.025393  -0.024054
+    0SOL     H3    3   0.041432   0.030562  -0.174284
+    1SOL     O4    4  -0.074281  -0.045959   0.092925
+    1SOL     H5    5  -0.159603  -0.055685   0.050642
+    1SOL     H6    6  -0.056903  -0.131643   0.131895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055413   0.124168   0.011899
+    0SOL     H2    2   0.120238   0.123545  -0.058526
+    0SOL     H3    3   0.035098   0.031797   0.026635
+    1SOL     O4    4  -0.056759  -0.116484  -0.002655
+    1SOL     H5    5  -0.004640  -0.184560  -0.045216
+    1SOL     H6    6  -0.125289  -0.095532  -0.066113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006652   0.058164   0.113158
+    0SOL     H2    2   0.067089   0.048849   0.173472
+    0SOL     H3    3  -0.044883   0.143171   0.134941
+    1SOL     O4    4   0.009082  -0.062500  -0.123671
+    1SOL     H5    5  -0.075796  -0.106327  -0.117581
+    1SOL     H6    6   0.020703  -0.020733  -0.038331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.005696   0.130852  -0.013338
+    0SOL     H2    2   0.027146   0.166458  -0.095896
+    0SOL     H3    3   0.053512   0.165955   0.053179
+    1SOL     O4    4   0.006627  -0.136402   0.011167
+    1SOL     H5    5  -0.061225  -0.188241   0.054425
+    1SOL     H6    6  -0.022041  -0.045696   0.021795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016651  -0.028063  -0.130563
+    0SOL     H2    2   0.027555   0.020306  -0.212440
+    0SOL     H3    3   0.065787   0.022698  -0.065977
+    1SOL     O4    4  -0.022454   0.016912   0.126757
+    1SOL     H5    5  -0.029267   0.112000   0.118147
+    1SOL     H6    6   0.020742   0.003487   0.211115
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061649   0.114782  -0.010302
+    0SOL     H2    2  -0.061416   0.134942  -0.103874
+    0SOL     H3    3  -0.150508   0.135650   0.018523
+    1SOL     O4    4   0.070284  -0.120508   0.019434
+    1SOL     H5    5   0.085724  -0.133798  -0.074093
+    1SOL     H6    6   0.004178  -0.051387   0.023261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040256   0.079257  -0.111997
+    0SOL     H2    2  -0.111723   0.016236  -0.102883
+    0SOL     H3    3   0.000364   0.082173  -0.025372
+    1SOL     O4    4   0.037386  -0.072807   0.109289
+    1SOL     H5    5   0.126506  -0.039737   0.098049
+    1SOL     H6    6   0.033885  -0.151378   0.054730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099663   0.055904   0.064524
+    0SOL     H2    2   0.193531   0.061045   0.046506
+    0SOL     H3    3   0.083646   0.125372   0.128397
+    1SOL     O4    4  -0.106899  -0.056988  -0.072043
+    1SOL     H5    5  -0.014381  -0.045508  -0.050344
+    1SOL     H6    6  -0.139669  -0.117962  -0.005932
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074825  -0.085371  -0.072164
+    0SOL     H2    2  -0.061418  -0.159756  -0.130895
+    0SOL     H3    3  -0.112792  -0.017383  -0.127827
+    1SOL     O4    4   0.082240   0.086849   0.080737
+    1SOL     H5    5   0.020311   0.155779   0.056742
+    1SOL     H6    6   0.036263   0.005287   0.060834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057267  -0.064541  -0.109764
+    0SOL     H2    2  -0.010643  -0.002848  -0.082478
+    0SOL     H3    3   0.059726  -0.056884  -0.205145
+    1SOL     O4    4  -0.050201   0.063707   0.108797
+    1SOL     H5    5  -0.016655   0.020966   0.187602
+    1SOL     H6    6  -0.144683   0.048641   0.111695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125174   0.010948   0.069516
+    0SOL     H2    2   0.189720   0.015412  -0.001026
+    0SOL     H3    3   0.041398  -0.000655   0.024691
+    1SOL     O4    4  -0.119028  -0.005752  -0.058599
+    1SOL     H5    5  -0.110499  -0.036940  -0.148693
+    1SOL     H6    6  -0.199149  -0.047051  -0.026391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001884  -0.138176   0.003581
+    0SOL     H2    2  -0.086093  -0.179017   0.023658
+    0SOL     H3    3   0.014555  -0.160825  -0.087957
+    1SOL     O4    4   0.007360   0.146341   0.006033
+    1SOL     H5    5  -0.023926   0.173809  -0.080158
+    1SOL     H6    6   0.013961   0.051045  -0.000080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078211   0.048007  -0.115694
+    0SOL     H2    2   0.013185   0.041169  -0.045786
+    0SOL     H3    3   0.161352   0.060661  -0.069982
+    1SOL     O4    4  -0.079727  -0.042609   0.105074
+    1SOL     H5    5  -0.064997  -0.133377   0.078497
+    1SOL     H6    6  -0.087196  -0.046432   0.200426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017105   0.070771  -0.130146
+    0SOL     H2    2  -0.045387   0.133036  -0.092997
+    0SOL     H3    3   0.013283  -0.004877  -0.071621
+    1SOL     O4    4  -0.014781  -0.066722   0.118301
+    1SOL     H5    5   0.056857  -0.128184   0.134194
+    1SOL     H6    6  -0.059076  -0.059121   0.202814
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023697   0.092975   0.111959
+    0SOL     H2    2   0.071352   0.085545   0.120489
+    0SOL     H3    3  -0.055241   0.002671   0.115485
+    1SOL     O4    4   0.024767  -0.088505  -0.117115
+    1SOL     H5    5   0.021909  -0.016533  -0.054074
+    1SOL     H6    6  -0.056774  -0.136461  -0.102501
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009273  -0.062205   0.134553
+    0SOL     H2    2   0.096332  -0.101824   0.130892
+    0SOL     H3    3   0.004206  -0.008079   0.055769
+    1SOL     O4    4  -0.015224   0.061106  -0.123085
+    1SOL     H5    5  -0.023815  -0.011391  -0.184994
+    1SOL     H6    6   0.011755   0.135537  -0.176884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091624   0.106051  -0.030542
+    0SOL     H2    2  -0.080219   0.032436  -0.090651
+    0SOL     H3    3  -0.184863   0.127065  -0.035753
+    1SOL     O4    4   0.100528  -0.102611   0.028837
+    1SOL     H5    5   0.048439  -0.178843   0.054092
+    1SOL     H6    6   0.081230  -0.037079   0.095885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140269   0.044685  -0.031952
+    0SOL     H2    2   0.141236   0.130476   0.010491
+    0SOL     H3    3   0.049432   0.015375  -0.024762
+    1SOL     O4    4  -0.133338  -0.042180   0.031600
+    1SOL     H5    5  -0.188075  -0.055697  -0.045753
+    1SOL     H6    6  -0.107296  -0.130342   0.058275
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.047642   0.118787  -0.079633
+    0SOL     H2    2  -0.007647   0.044974  -0.033652
+    0SOL     H3    3  -0.123371   0.081013  -0.124360
+    1SOL     O4    4   0.043269  -0.109641   0.076767
+    1SOL     H5    5   0.086611  -0.088931   0.159560
+    1SOL     H6    6   0.098775  -0.176543   0.036699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110532   0.005326  -0.100168
+    0SOL     H2    2   0.198930  -0.008816  -0.066284
+    0SOL     H3    3   0.053288  -0.009909  -0.024979
+    1SOL     O4    4  -0.110602  -0.001243   0.088897
+    1SOL     H5    5  -0.159822   0.043779   0.157547
+    1SOL     H6    6  -0.095963  -0.089228   0.123633
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020294  -0.119225  -0.073860
+    0SOL     H2    2  -0.011978  -0.137996  -0.167353
+    0SOL     H3    3   0.005116  -0.200774  -0.030657
+    1SOL     O4    4   0.021886   0.122640   0.082366
+    1SOL     H5    5   0.027689   0.083905  -0.004974
+    1SOL     H6    6  -0.040275   0.194764   0.072550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071605  -0.107801   0.059054
+    0SOL     H2    2   0.070641  -0.147408   0.146190
+    0SOL     H3    3   0.163337  -0.111601   0.031978
+    1SOL     O4    4  -0.082811   0.113550  -0.061435
+    1SOL     H5    5  -0.009748   0.142278  -0.116197
+    1SOL     H6    6  -0.054683   0.029083  -0.026271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011614  -0.007078   0.147295
+    0SOL     H2    2   0.103599  -0.019151   0.123730
+    0SOL     H3    3   0.011204   0.070423   0.203471
+    1SOL     O4    4  -0.016331  -0.002201  -0.153600
+    1SOL     H5    5  -0.004771   0.089763  -0.177500
+    1SOL     H6    6  -0.040496  -0.000078  -0.061004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066444  -0.102815  -0.090986
+    0SOL     H2    2   0.006062  -0.048868  -0.059444
+    0SOL     H3    3  -0.028496  -0.155107  -0.161610
+    1SOL     O4    4   0.061201   0.097831   0.089662
+    1SOL     H5    5  -0.005110   0.104184   0.158398
+    1SOL     H6    6   0.106632   0.182042   0.092286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106656  -0.069068  -0.093377
+    0SOL     H2    2  -0.134597   0.009829  -0.046935
+    0SOL     H3    3  -0.011040  -0.066449  -0.089765
+    1SOL     O4    4   0.097387   0.061218   0.089464
+    1SOL     H5    5   0.112997   0.154893   0.077482
+    1SOL     H6    6   0.180245   0.027207   0.123230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.087334   0.121929   0.017469
+    0SOL     H2    2   0.107527   0.163835  -0.066187
+    0SOL     H3    3   0.008370   0.166470   0.048181
+    1SOL     O4    4  -0.090270  -0.128114  -0.013053
+    1SOL     H5    5  -0.022600  -0.084178   0.038452
+    1SOL     H6    6  -0.046429  -0.152279  -0.094639
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037222   0.117022  -0.100369
+    0SOL     H2    2   0.071049   0.072985  -0.022402
+    0SOL     H3    3  -0.053701   0.137675  -0.078718
+    1SOL     O4    4  -0.028003  -0.112983   0.094495
+    1SOL     H5    5  -0.077970  -0.135523   0.172965
+    1SOL     H6    6  -0.083205  -0.141788   0.021795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040777   0.144525   0.049146
+    0SOL     H2    2   0.025168   0.155482   0.117655
+    0SOL     H3    3  -0.056319   0.050139   0.045672
+    1SOL     O4    4   0.034273  -0.138980  -0.048916
+    1SOL     H5    5   0.129340  -0.149704  -0.045819
+    1SOL     H6    6   0.012051  -0.148520  -0.141530
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044784  -0.145740   0.023894
+    0SOL     H2    2   0.102433  -0.161296   0.098707
+    0SOL     H3    3   0.102899  -0.113104  -0.044807
+    1SOL     O4    4  -0.051129   0.151344  -0.022613
+    1SOL     H5    5  -0.023867   0.082110   0.037601
+    1SOL     H6    6  -0.064080   0.106667  -0.106270
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074013   0.131610  -0.051082
+    0SOL     H2    2   0.136298   0.151956   0.018696
+    0SOL     H3    3   0.024208   0.056959  -0.017779
+    1SOL     O4    4  -0.073367  -0.121845   0.045711
+    1SOL     H5    5  -0.070762  -0.189340   0.113534
+    1SOL     H6    6  -0.101686  -0.168136  -0.033140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021707   0.024479  -0.149702
+    0SOL     H2    2   0.046285  -0.023141  -0.197364
+    0SOL     H3    3  -0.006305   0.116427  -0.171400
+    1SOL     O4    4   0.013686  -0.023793   0.158687
+    1SOL     H5    5   0.062653  -0.105991   0.161528
+    1SOL     H6    6   0.019907   0.004710   0.067521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024239   0.107609   0.111082
+    0SOL     H2    2   0.067560   0.110086   0.138083
+    0SOL     H3    3  -0.064801   0.043784   0.169762
+    1SOL     O4    4   0.026611  -0.108142  -0.114488
+    1SOL     H5    5  -0.013735  -0.042511  -0.057680
+    1SOL     H6    6  -0.027731  -0.108343  -0.193287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070253  -0.131625   0.038862
+    0SOL     H2    2  -0.093353  -0.131135   0.131751
+    0SOL     H3    3  -0.154351  -0.129288  -0.006794
+    1SOL     O4    4   0.080592   0.136678  -0.040656
+    1SOL     H5    5   0.078083   0.055781   0.010448
+    1SOL     H6    6   0.008310   0.128052  -0.102811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118566  -0.004566   0.105893
+    0SOL     H2    2   0.206592   0.012379   0.072329
+    0SOL     H3    3   0.066890   0.070542   0.076727
+    1SOL     O4    4  -0.114003   0.001596  -0.103019
+    1SOL     H5    5  -0.152175  -0.073279  -0.148833
+    1SOL     H6    6  -0.185140   0.035173  -0.048482
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090804  -0.038943  -0.130098
+    0SOL     H2    2   0.147106   0.030573  -0.096043
+    0SOL     H3    3   0.006583   0.003821  -0.145607
+    1SOL     O4    4  -0.088137   0.033682   0.135864
+    1SOL     H5    5  -0.099911  -0.051458   0.093735
+    1SOL     H6    6  -0.096868   0.097089   0.064690
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020427  -0.119471  -0.099387
+    0SOL     H2    2   0.100820  -0.171336  -0.102415
+    0SOL     H3    3  -0.049955  -0.184337  -0.098329
+    1SOL     O4    4  -0.024653   0.127319   0.105569
+    1SOL     H5    5  -0.012264   0.179722   0.026431
+    1SOL     H6    6   0.022733   0.045993   0.088164
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153076   0.032951   0.022384
+    0SOL     H2    2   0.132940   0.120001  -0.011954
+    0SOL     H3    3   0.244325   0.017925  -0.002317
+    1SOL     O4    4  -0.162319  -0.039285  -0.016627
+    1SOL     H5    5  -0.088782  -0.000394   0.030724
+    1SOL     H6    6  -0.135576  -0.037051  -0.108508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137149   0.090977  -0.040238
+    0SOL     H2    2  -0.093953   0.009773  -0.066739
+    0SOL     H3    3  -0.072932   0.135341   0.015174
+    1SOL     O4    4   0.124853  -0.089611   0.036222
+    1SOL     H5    5   0.204637  -0.086774  -0.016587
+    1SOL     H6    6   0.155079  -0.076505   0.126093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050761   0.029009   0.146538
+    0SOL     H2    2   0.127608   0.068664   0.187577
+    0SOL     H3    3  -0.020971   0.047285   0.207225
+    1SOL     O4    4  -0.055952  -0.034098  -0.156886
+    1SOL     H5    5  -0.059360   0.038228  -0.094279
+    1SOL     H6    6   0.027997  -0.076762  -0.139721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023206  -0.050647   0.151872
+    0SOL     H2    2   0.112621  -0.030919   0.179765
+    0SOL     H3    3  -0.030916   0.013866   0.197383
+    1SOL     O4    4  -0.030245   0.044198  -0.156391
+    1SOL     H5    5   0.018001   0.108123  -0.208813
+    1SOL     H6    6   0.026865   0.026450  -0.081653
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140184  -0.080644  -0.054549
+    0SOL     H2    2   0.064847  -0.046012  -0.006725
+    0SOL     H3    3   0.145863  -0.026194  -0.133068
+    1SOL     O4    4  -0.137634   0.069512   0.054039
+    1SOL     H5    5  -0.115810   0.148005   0.003791
+    1SOL     H6    6  -0.139305   0.098996   0.145089
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096926   0.039783   0.125883
+    0SOL     H2    2  -0.171239   0.088167   0.161924
+    0SOL     H3    3  -0.034201   0.107507   0.100559
+    1SOL     O4    4   0.101323  -0.048328  -0.121384
+    1SOL     H5    5   0.122712   0.008964  -0.195022
+    1SOL     H6    6   0.010812  -0.075097  -0.137306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053671  -0.049242  -0.145376
+    0SOL     H2    2   0.106239  -0.106129  -0.089138
+    0SOL     H3    3   0.109687  -0.031888  -0.221029
+    1SOL     O4    4  -0.061677   0.046152   0.148355
+    1SOL     H5    5  -0.103857   0.130323   0.165630
+    1SOL     H6    6   0.012540   0.067647   0.091857
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038410   0.140147   0.069753
+    0SOL     H2    2   0.020551   0.165073   0.140920
+    0SOL     H3    3  -0.110148   0.203319   0.074784
+    1SOL     O4    4   0.041683  -0.143121  -0.069440
+    1SOL     H5    5   0.030208  -0.234363  -0.096001
+    1SOL     H6    6   0.000696  -0.092393  -0.139505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051200   0.167727   0.012359
+    0SOL     H2    2  -0.086672   0.097501  -0.042160
+    0SOL     H3    3  -0.026426   0.124482   0.094080
+    1SOL     O4    4   0.051892  -0.167435  -0.012669
+    1SOL     H5    5   0.095405  -0.095049   0.032379
+    1SOL     H6    6   0.004725  -0.125890  -0.084860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.150707   0.054290  -0.066983
+    0SOL     H2    2   0.159229   0.050819   0.028294
+    0SOL     H3    3   0.079115   0.115916  -0.082445
+    1SOL     O4    4  -0.142959  -0.059316   0.067607
+    1SOL     H5    5  -0.212653  -0.110934   0.027103
+    1SOL     H6    6  -0.141389   0.022297   0.017615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025336   0.099154   0.138127
+    0SOL     H2    2   0.095731   0.162328   0.152820
+    0SOL     H3    3   0.019907   0.090986   0.042911
+    1SOL     O4    4  -0.023328  -0.096776  -0.136291
+    1SOL     H5    5  -0.030440  -0.150972  -0.057713
+    1SOL     H6    6  -0.099203  -0.121243  -0.189268
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004429  -0.015809   0.173405
+    0SOL     H2    2  -0.064068  -0.090586   0.169691
+    0SOL     H3    3  -0.053678   0.056151   0.133927
+    1SOL     O4    4   0.014379   0.020701  -0.167230
+    1SOL     H5    5  -0.046469  -0.044953  -0.133329
+    1SOL     H6    6   0.021775   0.000657  -0.260535
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132188  -0.009201   0.122913
+    0SOL     H2    2  -0.112904   0.066725   0.067907
+    0SOL     H3    3  -0.185606  -0.066065   0.067458
+    1SOL     O4    4   0.139003   0.005462  -0.118008
+    1SOL     H5    5   0.051323  -0.025095  -0.141263
+    1SOL     H6    6   0.125344   0.093823  -0.083833
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070386  -0.156665  -0.040010
+    0SOL     H2    2   0.022303  -0.177101  -0.052399
+    0SOL     H3    3  -0.116019  -0.213771  -0.101807
+    1SOL     O4    4   0.061476   0.160013   0.040666
+    1SOL     H5    5   0.096271   0.113138   0.116523
+    1SOL     H6    6   0.123388   0.231568   0.026202
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.098918  -0.151806   0.003326
+    0SOL     H2    2  -0.028637  -0.125383  -0.056044
+    0SOL     H3    3  -0.151948  -0.212832  -0.047917
+    1SOL     O4    4   0.100355   0.149969   0.000045
+    1SOL     H5    5   0.006530   0.165600   0.010760
+    1SOL     H6    6   0.142034   0.212668   0.059155
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.048083  -0.036662   0.172966
+    0SOL     H2    2   0.107905  -0.111316   0.176192
+    0SOL     H3    3   0.100018   0.034073   0.134736
+    1SOL     O4    4  -0.060528   0.034179  -0.171986
+    1SOL     H5    5  -0.004225   0.080952  -0.233667
+    1SOL     H6    6  -0.008654   0.028439  -0.091746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013251   0.064178   0.170615
+    0SOL     H2    2   0.078180   0.006952   0.129729
+    0SOL     H3    3   0.041531   0.071267   0.261787
+    1SOL     O4    4  -0.016633  -0.066997  -0.173923
+    1SOL     H5    5   0.016515   0.007121  -0.224619
+    1SOL     H6    6  -0.086027  -0.029746  -0.119524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.122683   0.045719  -0.132211
+    0SOL     H2    2  -0.170280   0.069275  -0.052575
+    0SOL     H3    3  -0.188495   0.049794  -0.201597
+    1SOL     O4    4   0.129730  -0.044438   0.136289
+    1SOL     H5    5   0.171919  -0.124570   0.105285
+    1SOL     H6    6   0.064525  -0.024149   0.069213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068692   0.150746  -0.101647
+    0SOL     H2    2  -0.116159   0.071831  -0.075540
+    0SOL     H3    3  -0.032458   0.129598  -0.187683
+    1SOL     O4    4   0.066847  -0.141483   0.108834
+    1SOL     H5    5   0.149744  -0.188968   0.114796
+    1SOL     H6    6   0.026758  -0.173250   0.027926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065410   0.181863   0.013373
+    0SOL     H2    2   0.028400   0.199793  -0.073063
+    0SOL     H3    3   0.151691   0.144577  -0.004729
+    1SOL     O4    4  -0.070188  -0.177826  -0.011721
+    1SOL     H5    5   0.013725  -0.161505   0.031342
+    1SOL     H6    6  -0.109213  -0.249587   0.038176
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080146   0.124156  -0.128037
+    0SOL     H2    2   0.008728   0.140560  -0.096498
+    0SOL     H3    3  -0.100008   0.199257  -0.183963
+    1SOL     O4    4   0.072739  -0.130408   0.133629
+    1SOL     H5    5   0.163547  -0.157654   0.120441
+    1SOL     H6    6   0.057867  -0.063377   0.066936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.169706   0.023661  -0.106225
+    0SOL     H2    2  -0.140341  -0.015593  -0.188438
+    0SOL     H3    3  -0.134380  -0.033740  -0.038258
+    1SOL     O4    4   0.160211  -0.020906   0.104402
+    1SOL     H5    5   0.219946  -0.059897   0.168227
+    1SOL     H6    6   0.197186   0.065579   0.086638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.082660   0.096422  -0.152148
+    0SOL     H2    2   0.154874   0.091430  -0.089518
+    0SOL     H3    3   0.074441   0.189718  -0.171913
+    1SOL     O4    4  -0.087476  -0.107987   0.153782
+    1SOL     H5    5  -0.137041  -0.026222   0.158286
+    1SOL     H6    6  -0.020295  -0.091709   0.087570
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033005  -0.179078   0.072409
+    0SOL     H2    2  -0.085123  -0.230885   0.011074
+    0SOL     H3    3  -0.057244  -0.212564   0.158743
+    1SOL     O4    4   0.039794   0.186897  -0.078910
+    1SOL     H5    5  -0.038879   0.211187  -0.030096
+    1SOL     H6    6   0.073768   0.110088  -0.032994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094590  -0.043458   0.185408
+    0SOL     H2    2  -0.123471  -0.010961   0.270684
+    0SOL     H3    3  -0.172066  -0.085708   0.148331
+    1SOL     O4    4   0.106020   0.043371  -0.186722
+    1SOL     H5    5   0.041585   0.094184  -0.137441
+    1SOL     H6    6   0.055532   0.002091  -0.256787
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080728   0.136993  -0.147798
+    0SOL     H2    2   0.041139   0.113407  -0.231694
+    0SOL     H3    3   0.152877   0.075016  -0.137039
+    1SOL     O4    4  -0.077385  -0.129102   0.155661
+    1SOL     H5    5  -0.163870  -0.157353   0.185403
+    1SOL     H6    6  -0.075449  -0.151634   0.062651
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.213724  -0.047106   0.002295
+    0SOL     H2    2  -0.218875   0.039008   0.043770
+    0SOL     H3    3  -0.191444  -0.106838   0.073696
+    1SOL     O4    4   0.214845   0.039841  -0.007558
+    1SOL     H5    5   0.126249   0.067987  -0.030379
+    1SOL     H6    6   0.263308   0.121349   0.005486
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.167713  -0.164244   0.045494
+    0SOL     H2    2   0.072091  -0.160290   0.047275
+    0SOL     H3    3   0.193504  -0.094389  -0.014652
+    1SOL     O4    4  -0.160588   0.165530  -0.039268
+    1SOL     H5    5  -0.186972   0.080874  -0.003220
+    1SOL     H6    6  -0.189619   0.162890  -0.130441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.175515   0.096212   0.130181
+    0SOL     H2    2   0.121920   0.016907   0.131002
+    0SOL     H3    3   0.244267   0.079382   0.194620
+    1SOL     O4    4  -0.182642  -0.090709  -0.131096
+    1SOL     H5    5  -0.153086  -0.134916  -0.210686
+    1SOL     H6    6  -0.102731  -0.054880  -0.092459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.156007   0.169383   0.089685
+    0SOL     H2    2  -0.162158   0.127394   0.003886
+    0SOL     H3    3  -0.210720   0.247560   0.082122
+    1SOL     O4    4   0.157126  -0.170255  -0.089694
+    1SOL     H5    5   0.189297  -0.257500  -0.066987
+    1SOL     H6    6   0.175008  -0.117136  -0.012099
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.134704   0.176930   0.097085
+    0SOL     H2    2   0.228141   0.175754   0.117829
+    0SOL     H3    3   0.118910   0.264762   0.062466
+    1SOL     O4    4  -0.140987  -0.186969  -0.090920
+    1SOL     H5    5  -0.192222  -0.172906  -0.170541
+    1SOL     H6    6  -0.066766  -0.127102  -0.099255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.157215  -0.197710  -0.028461
+    0SOL     H2    2   0.065568  -0.216718  -0.008415
+    0SOL     H3    3   0.157805  -0.178622  -0.122256
+    1SOL     O4    4  -0.148923   0.203297   0.032295
+    1SOL     H5    5  -0.235217   0.175924   0.001209
+    1SOL     H6    6  -0.112786   0.125357   0.074506
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010608   0.244321  -0.068882
+    0SOL     H2    2   0.048659   0.208334  -0.149003
+    0SOL     H3    3  -0.031690   0.325532  -0.096777
+    1SOL     O4    4  -0.012042  -0.243533   0.080209
+    1SOL     H5    5  -0.060411  -0.257509  -0.001200
+    1SOL     H6    6   0.068232  -0.294559   0.069492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014193   0.143925   0.211897
+    0SOL     H2    2   0.095965   0.181906   0.244040
+    0SOL     H3    3  -0.025238   0.103106   0.288977
+    1SOL     O4    4  -0.020983  -0.144719  -0.219448
+    1SOL     H5    5  -0.003325  -0.072494  -0.159165
+    1SOL     H6    6   0.060045  -0.195672  -0.220241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.131110   0.195176   0.146690
+    0SOL     H2    2  -0.211007   0.146992   0.125310
+    0SOL     H3    3  -0.070262   0.173266   0.076122
+    1SOL     O4    4   0.134224  -0.184939  -0.138929
+    1SOL     H5    5   0.190481  -0.247154  -0.185045
+    1SOL     H6    6   0.048000  -0.226499  -0.138233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126817   0.252441  -0.030142
+    0SOL     H2    2   0.166635   0.275694  -0.114024
+    0SOL     H3    3   0.185958   0.187095   0.007202
+    1SOL     O4    4  -0.133504  -0.255109   0.028606
+    1SOL     H5    5  -0.080808  -0.259922   0.108370
+    1SOL     H6    6  -0.158853  -0.163035   0.022110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017532  -0.277205  -0.084749
+    0SOL     H2    2   0.041028  -0.248801   0.003588
+    0SOL     H3    3   0.038690  -0.370544  -0.086369
+    1SOL     O4    4  -0.016452   0.274469   0.082318
+    1SOL     H5    5  -0.107162   0.282614   0.052862
+    1SOL     H6    6   0.015725   0.364539   0.086120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022158   0.211597  -0.209540
+    0SOL     H2    2  -0.017520   0.193914  -0.115582
+    0SOL     H3    3  -0.022792   0.307098  -0.215985
+    1SOL     O4    4   0.019068  -0.217863   0.209576
+    1SOL     H5    5   0.048862  -0.129976   0.186113
+    1SOL     H6    6   0.044912  -0.272564   0.135400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.170072  -0.270761   0.026850
+    0SOL     H2    2  -0.221316  -0.279783  -0.053492
+    0SOL     H3    3  -0.095423  -0.216370   0.001723
+    1SOL     O4    4   0.173805   0.263418  -0.021762
+    1SOL     H5    5   0.123778   0.285749   0.056730
+    1SOL     H6    6   0.141318   0.323496  -0.088826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.297725  -0.011870  -0.155485
+    0SOL     H2    2   0.282459   0.054866  -0.222384
+    0SOL     H3    3   0.254429   0.022249  -0.077231
+    1SOL     O4    4  -0.294661   0.007666   0.149025
+    1SOL     H5    5  -0.224292  -0.024697   0.205267
+    1SOL     H6    6  -0.367197   0.025136   0.208989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056446   0.143347   0.305654
+    0SOL     H2    2   0.035116   0.157854   0.329490
+    0SOL     H3    3  -0.098497   0.228274   0.319128
+    1SOL     O4    4   0.055365  -0.149828  -0.313496
+    1SOL     H5    5   0.076035  -0.206243  -0.238981
+    1SOL     H6    6   0.000702  -0.080438  -0.276626
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113670  -0.326690   0.127919
+    0SOL     H2    2  -0.020165  -0.309055   0.138323
+    0SOL     H3    3  -0.147168  -0.250988   0.079862
+    1SOL     O4    4   0.105223   0.319903  -0.122819
+    1SOL     H5    5   0.119456   0.392899  -0.183079
+    1SOL     H6    6   0.189979   0.275652  -0.118283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.180596  -0.099257   0.306488
+    0SOL     H2    2   0.106280  -0.127491   0.359799
+    0SOL     H3    3   0.249148  -0.163459   0.324958
+    1SOL     O4    4  -0.180846   0.098494  -0.313870
+    1SOL     H5    5  -0.245938   0.151685  -0.268087
+    1SOL     H6    6  -0.099875   0.149184  -0.307816
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017974  -0.381809   0.097073
+    0SOL     H2    2   0.104878  -0.388747   0.057552
+    0SOL     H3    3  -0.030879  -0.455670   0.060738
+    1SOL     O4    4  -0.023067   0.386884  -0.098625
+    1SOL     H5    5   0.048233   0.439311  -0.062155
+    1SOL     H6    6  -0.045448   0.325094  -0.029031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056484  -0.336168   0.274852
+    0SOL     H2    2  -0.025503  -0.290102   0.196875
+    0SOL     H3    3  -0.149672  -0.314880   0.279864
+    1SOL     O4    4   0.061133   0.326274  -0.269695
+    1SOL     H5    5   0.013150   0.367084  -0.341768
+    1SOL     H6    6   0.082335   0.398765  -0.210892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.212678   0.185793  -0.329955
+    0SOL     H2    2   0.120355   0.208653  -0.340738
+    0SOL     H3    3   0.248925   0.189951  -0.418448
+    1SOL     O4    4  -0.202819  -0.189246   0.338261
+    1SOL     H5    5  -0.257314  -0.117064   0.369604
+    1SOL     H6    6  -0.251450  -0.225669   0.264296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.357719  -0.230399   0.208379
+    0SOL     H2    2  -0.368215  -0.311026   0.258892
+    0SOL     H3    3  -0.428967  -0.232656   0.144496
+    1SOL     O4    4   0.365665   0.239373  -0.205951
+    1SOL     H5    5   0.319035   0.224368  -0.288187
+    1SOL     H6    6   0.343907   0.163479  -0.151832
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.373099  -0.274570  -0.248759
+    0SOL     H2    2   0.277785  -0.268318  -0.242564
+    0SOL     H3    3   0.390629  -0.368455  -0.255120
+    1SOL     O4    4  -0.371222   0.278436   0.254963
+    1SOL     H5    5  -0.280668   0.267835   0.225808
+    1SOL     H6    6  -0.416606   0.315553   0.179300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.330912  -0.204660   0.420171
+    0SOL     H2    2  -0.299981  -0.136205   0.479495
+    0SOL     H3    3  -0.286884  -0.284161   0.450231
+    1SOL     O4    4   0.322739   0.204673  -0.420709
+    1SOL     H5    5   0.415662   0.227031  -0.415441
+    1SOL     H6    6   0.306599   0.191007  -0.514063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.561919   0.295493   0.085453
+    0SOL     H2    2   0.544952   0.347949   0.163702
+    0SOL     H3    3   0.537278   0.352446   0.012573
+    1SOL     O4    4  -0.563793  -0.306172  -0.087077
+    1SOL     H5    5  -0.513571  -0.288320  -0.007571
+    1SOL     H6    6  -0.544135  -0.232491  -0.144931
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.619436   0.073248   0.232655
+    0SOL     H2    2  -0.615462  -0.016627   0.199958
+    0SOL     H3    3  -0.704703   0.105610   0.203594
+    1SOL     O4    4   0.624834  -0.070229  -0.236408
+    1SOL     H5    5   0.548319  -0.095296  -0.184644
+    1SOL     H6    6   0.685139  -0.031566  -0.172920
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/540K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.164715  -0.527107   0.399801
+    0SOL     H2    2   0.176157  -0.567045   0.313567
+    0SOL     H3    3   0.144738  -0.600576   0.457815
+    1SOL     O4    4  -0.169659   0.530360  -0.402664
+    1SOL     H5    5  -0.165936   0.586275  -0.325063
+    1SOL     H6    6  -0.081529   0.493758  -0.410121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115191  -0.044100   0.003510
+    0SOL     H2    2  -0.126957  -0.058818  -0.090338
+    0SOL     H3    3  -0.121906  -0.131262   0.042498
+    1SOL     O4    4   0.121431   0.047919   0.003014
+    1SOL     H5    5   0.115111   0.129352  -0.046895
+    1SOL     H6    6   0.035990   0.006235  -0.008152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089424   0.084846   0.001151
+    0SOL     H2    2  -0.179907   0.105838   0.024271
+    0SOL     H3    3  -0.066585   0.148481  -0.066608
+    1SOL     O4    4   0.096471  -0.093008   0.007516
+    1SOL     H5    5   0.107794  -0.127651  -0.080994
+    1SOL     H6    6   0.040740  -0.016012  -0.003796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010837   0.126291  -0.040167
+    0SOL     H2    2  -0.080289   0.151596  -0.054934
+    0SOL     H3    3   0.022072   0.046143  -0.091279
+    1SOL     O4    4  -0.000285  -0.124256   0.041734
+    1SOL     H5    5  -0.051999  -0.183299   0.096525
+    1SOL     H6    6  -0.060767  -0.053723   0.018730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110771   0.008782   0.069192
+    0SOL     H2    2  -0.090827   0.036367   0.158655
+    0SOL     H3    3  -0.149395  -0.078253   0.078962
+    1SOL     O4    4   0.116913  -0.002171  -0.075337
+    1SOL     H5    5   0.028707   0.030912  -0.058378
+    1SOL     H6    6   0.104493  -0.095275  -0.093768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012898  -0.124324  -0.054772
+    0SOL     H2    2  -0.097912  -0.119258  -0.011077
+    0SOL     H3    3  -0.029926  -0.094086  -0.143980
+    1SOL     O4    4   0.023135   0.126310   0.054385
+    1SOL     H5    5   0.003223   0.035620   0.031122
+    1SOL     H6    6  -0.020309   0.139565   0.138643
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075716   0.006308  -0.118864
+    0SOL     H2    2  -0.026236   0.030088  -0.040452
+    0SOL     H3    3  -0.013128  -0.041687  -0.173100
+    1SOL     O4    4   0.065981  -0.009356   0.115112
+    1SOL     H5    5   0.042029   0.065446   0.169822
+    1SOL     H6    6   0.161336  -0.004537   0.108282
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078618  -0.082911   0.067848
+    0SOL     H2    2  -0.102780  -0.162271   0.020093
+    0SOL     H3    3  -0.161868  -0.047290   0.098878
+    1SOL     O4    4   0.085930   0.082605  -0.073192
+    1SOL     H5    5   0.038360   0.036835  -0.003877
+    1SOL     H6    6   0.101599   0.170141  -0.037777
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067562  -0.096256   0.078382
+    0SOL     H2    2   0.006526  -0.029645   0.046761
+    0SOL     H3    3   0.076935  -0.077790   0.171835
+    1SOL     O4    4  -0.067731   0.090632  -0.075937
+    1SOL     H5    5  -0.084834   0.042822  -0.157079
+    1SOL     H6    6   0.005196   0.148837  -0.097293
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000589   0.101385  -0.087014
+    0SOL     H2    2  -0.092457   0.087052  -0.109755
+    0SOL     H3    3   0.013611   0.194812  -0.102245
+    1SOL     O4    4  -0.000281  -0.110464   0.090149
+    1SOL     H5    5   0.084124  -0.116556   0.134882
+    1SOL     H6    6   0.007685  -0.033139   0.034295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019312  -0.063297   0.117607
+    0SOL     H2    2   0.090393  -0.020948   0.165737
+    0SOL     H3    3  -0.042228  -0.091269   0.185376
+    1SOL     O4    4  -0.019687   0.065928  -0.130088
+    1SOL     H5    5   0.010359  -0.023266  -0.112652
+    1SOL     H6    6  -0.055681   0.095878  -0.046603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110400   0.060150  -0.056286
+    0SOL     H2    2  -0.156821   0.049904   0.026794
+    0SOL     H3    3  -0.122821   0.152171  -0.079527
+    1SOL     O4    4   0.119965  -0.067736   0.055421
+    1SOL     H5    5   0.032270  -0.078156   0.092345
+    1SOL     H6    6   0.107440  -0.010750  -0.020460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094342  -0.076497   0.074365
+    0SOL     H2    2   0.174436  -0.122486   0.049220
+    0SOL     H3    3   0.050341  -0.057835  -0.008568
+    1SOL     O4    4  -0.096982   0.071444  -0.064298
+    1SOL     H5    5  -0.080008   0.080262  -0.158088
+    1SOL     H6    6  -0.101299   0.161489  -0.032120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054165  -0.080489   0.099872
+    0SOL     H2    2  -0.107209  -0.101137   0.022916
+    0SOL     H3    3  -0.025098  -0.165640   0.132534
+    1SOL     O4    4   0.051067   0.087375  -0.103273
+    1SOL     H5    5   0.124282   0.146791  -0.086795
+    1SOL     H6    6   0.050787   0.028192  -0.028043
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073972  -0.055228  -0.113801
+    0SOL     H2    2   0.026489  -0.031358  -0.034190
+    0SOL     H3    3   0.142528   0.011110  -0.121657
+    1SOL     O4    4  -0.074260   0.055189   0.104903
+    1SOL     H5    5  -0.009378   0.003305   0.152449
+    1SOL     H6    6  -0.158554   0.025351   0.139058
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024109   0.045490   0.127568
+    0SOL     H2    2   0.064613   0.080819   0.134085
+    0SOL     H3    3  -0.046939   0.021246   0.217309
+    1SOL     O4    4   0.024390  -0.042461  -0.137016
+    1SOL     H5    5  -0.007549  -0.024049  -0.048680
+    1SOL     H6    6  -0.013525  -0.127560  -0.158991
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055979  -0.136741  -0.026032
+    0SOL     H2    2   0.047080  -0.050545   0.014629
+    0SOL     H3    3  -0.018700  -0.186684   0.007000
+    1SOL     O4    4  -0.051789   0.128233   0.021391
+    1SOL     H5    5  -0.055524   0.176588   0.103914
+    1SOL     H6    6  -0.043726   0.195962  -0.045767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007714  -0.124255  -0.064129
+    0SOL     H2    2  -0.089991  -0.132591  -0.112331
+    0SOL     H3    3   0.013503  -0.213635  -0.037231
+    1SOL     O4    4   0.014491   0.130841   0.071468
+    1SOL     H5    5  -0.032708   0.195711   0.019252
+    1SOL     H6    6   0.012298   0.051167   0.018462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058094   0.129387  -0.047582
+    0SOL     H2    2   0.143981   0.123060  -0.089364
+    0SOL     H3    3   0.016723   0.044812  -0.064838
+    1SOL     O4    4  -0.060553  -0.117136   0.049450
+    1SOL     H5    5  -0.102578  -0.157279   0.125508
+    1SOL     H6    6  -0.020468  -0.190424   0.002714
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083117  -0.011517  -0.115835
+    0SOL     H2    2   0.158304  -0.052494  -0.073054
+    0SOL     H3    3   0.085442  -0.044842  -0.205537
+    1SOL     O4    4  -0.089087   0.012555   0.124432
+    1SOL     H5    5  -0.050357  -0.027204   0.046447
+    1SOL     H6    6  -0.101048   0.104594   0.101024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046135   0.010721   0.137219
+    0SOL     H2    2  -0.030115  -0.025251   0.182543
+    0SOL     H3    3   0.063300   0.093876   0.181411
+    1SOL     O4    4  -0.048010  -0.009275  -0.143941
+    1SOL     H5    5   0.033078   0.012343  -0.097901
+    1SOL     H6    6  -0.039433  -0.102182  -0.165318
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.010046  -0.073411   0.133164
+    0SOL     H2    2  -0.033889   0.010451   0.147278
+    0SOL     H3    3  -0.057252  -0.129592   0.094731
+    1SOL     O4    4  -0.009725   0.071996  -0.131836
+    1SOL     H5    5   0.049370   0.032553  -0.195980
+    1SOL     H6    6   0.048294   0.108617  -0.065090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053134   0.137395   0.034860
+    0SOL     H2    2  -0.019901   0.113327  -0.022139
+    0SOL     H3    3   0.118849   0.173841  -0.024432
+    1SOL     O4    4  -0.059469  -0.135118  -0.029750
+    1SOL     H5    5   0.019257  -0.085783  -0.006715
+    1SOL     H6    6  -0.030543  -0.226303  -0.033041
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101639   0.071791   0.088781
+    0SOL     H2    2   0.053538   0.037380   0.013518
+    0SOL     H3    3   0.191465   0.081870   0.057285
+    1SOL     O4    4  -0.098669  -0.066744  -0.084127
+    1SOL     H5    5  -0.103337  -0.160154  -0.063753
+    1SOL     H6    6  -0.190004  -0.038283  -0.087321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082682  -0.011334   0.130289
+    0SOL     H2    2  -0.127992   0.072787   0.136034
+    0SOL     H3    3  -0.064182  -0.022307   0.037017
+    1SOL     O4    4   0.078849   0.005167  -0.123577
+    1SOL     H5    5   0.115726   0.093418  -0.119829
+    1SOL     H6    6   0.150126  -0.049224  -0.157095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099803   0.093718  -0.056451
+    0SOL     H2    2  -0.012981   0.133344  -0.049097
+    0SOL     H3    3  -0.145213   0.147311  -0.121474
+    1SOL     O4    4   0.100433  -0.099644   0.064689
+    1SOL     H5    5   0.073207  -0.169967   0.005734
+    1SOL     H6    6   0.060812  -0.020707   0.027792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.105958   0.106517   0.009251
+    0SOL     H2    2  -0.144125   0.045523   0.072380
+    0SOL     H3    3  -0.077776   0.181208   0.062066
+    1SOL     O4    4   0.110425  -0.106579  -0.010970
+    1SOL     H5    5   0.039066  -0.053570  -0.046470
+    1SOL     H6    6   0.116258  -0.181644  -0.070076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037775   0.032846  -0.151848
+    0SOL     H2    2  -0.017091  -0.060613  -0.151592
+    0SOL     H3    3  -0.013585   0.063019  -0.064288
+    1SOL     O4    4   0.028195  -0.030200   0.147547
+    1SOL     H5    5   0.091338  -0.086472   0.102729
+    1SOL     H6    6   0.080324   0.043178   0.180113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.096475   0.089085  -0.072340
+    0SOL     H2    2   0.145724   0.101123   0.008851
+    0SOL     H3    3   0.110328   0.170296  -0.121077
+    1SOL     O4    4  -0.102187  -0.095467   0.076395
+    1SOL     H5    5  -0.047483  -0.021523   0.049896
+    1SOL     H6    6  -0.115961  -0.145228  -0.004206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024453  -0.151351  -0.044455
+    0SOL     H2    2  -0.033703  -0.171369   0.048690
+    0SOL     H3    3  -0.077777  -0.072947  -0.057563
+    1SOL     O4    4   0.023455   0.143801   0.037545
+    1SOL     H5    5   0.026214   0.239151   0.029607
+    1SOL     H6    6   0.102469   0.121520   0.086766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050463  -0.143593   0.044396
+    0SOL     H2    2  -0.012061  -0.212290   0.067499
+    0SOL     H3    3  -0.002064  -0.077535  -0.000765
+    1SOL     O4    4  -0.037066   0.145603  -0.042195
+    1SOL     H5    5  -0.107809   0.143434   0.022249
+    1SOL     H6    6  -0.077565   0.114954  -0.123329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025865   0.158872   0.015931
+    0SOL     H2    2   0.029349   0.085425  -0.045353
+    0SOL     H3    3   0.078291   0.130231   0.090721
+    1SOL     O4    4  -0.024769  -0.150904  -0.011989
+    1SOL     H5    5  -0.032859  -0.241542  -0.041682
+    1SOL     H6    6  -0.088943  -0.102735  -0.064179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.156999  -0.028982   0.024458
+    0SOL     H2    2  -0.199671   0.011521  -0.051047
+    0SOL     H3    3  -0.064111  -0.030792   0.001415
+    1SOL     O4    4   0.150663   0.032408  -0.021439
+    1SOL     H5    5   0.178639  -0.047460  -0.066170
+    1SOL     H6    6   0.178494   0.020091   0.069314
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085134  -0.128297  -0.053945
+    0SOL     H2    2  -0.057023  -0.188997   0.014521
+    0SOL     H3    3  -0.013244  -0.065535  -0.061370
+    1SOL     O4    4   0.077326   0.129535   0.043576
+    1SOL     H5    5   0.070528   0.193406   0.114546
+    1SOL     H6    6   0.115728   0.052054   0.084617
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059615  -0.093149  -0.123858
+    0SOL     H2    2  -0.033847  -0.075750  -0.112702
+    0SOL     H3    3   0.093366  -0.101082  -0.034638
+    1SOL     O4    4  -0.059692   0.087269   0.119526
+    1SOL     H5    5  -0.045276   0.125688   0.033047
+    1SOL     H6    6  -0.011407   0.144207   0.179433
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140058  -0.010081   0.084521
+    0SOL     H2    2  -0.093093   0.033861   0.013629
+    0SOL     H3    3  -0.188440  -0.080438   0.041261
+    1SOL     O4    4   0.141959   0.018616  -0.075441
+    1SOL     H5    5   0.124007  -0.054147  -0.015896
+    1SOL     H6    6   0.130295  -0.018504  -0.162896
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069078   0.088411   0.108503
+    0SOL     H2    2   0.054512   0.182213   0.096200
+    0SOL     H3    3   0.162268   0.081095   0.129105
+    1SOL     O4    4  -0.079799  -0.090512  -0.109863
+    1SOL     H5    5  -0.012749  -0.054667  -0.051711
+    1SOL     H6    6  -0.037338  -0.165008  -0.152404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122863  -0.070676  -0.072509
+    0SOL     H2    2   0.182548  -0.048764  -0.144062
+    0SOL     H3    3   0.156745  -0.022145   0.002718
+    1SOL     O4    4  -0.129989   0.062738   0.076507
+    1SOL     H5    5  -0.159797   0.070274  -0.014141
+    1SOL     H6    6  -0.063131   0.130645   0.085509
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061505   0.026163  -0.140937
+    0SOL     H2    2   0.001463   0.054369  -0.207283
+    0SOL     H3    3  -0.138663  -0.000543  -0.190896
+    1SOL     O4    4   0.067240  -0.031533   0.149156
+    1SOL     H5    5   0.021919  -0.020847   0.065525
+    1SOL     H6    6   0.034190   0.039877   0.203659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063733   0.048696  -0.142709
+    0SOL     H2    2  -0.057113  -0.035130  -0.188445
+    0SOL     H3    3   0.026869   0.078082  -0.133227
+    1SOL     O4    4   0.058111  -0.051576   0.141082
+    1SOL     H5    5  -0.017776   0.005637   0.152495
+    1SOL     H6    6   0.127663  -0.009567   0.191678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.110217   0.048159   0.102645
+    0SOL     H2    2   0.111736   0.119841   0.166062
+    0SOL     H3    3   0.132101  -0.029677   0.153879
+    1SOL     O4    4  -0.111596  -0.042525  -0.111191
+    1SOL     H5    5  -0.039339  -0.105272  -0.113193
+    1SOL     H6    6  -0.182042  -0.088494  -0.065513
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079107  -0.069603  -0.131372
+    0SOL     H2    2  -0.011551  -0.132828  -0.155888
+    0SOL     H3    3  -0.045713  -0.028507  -0.051633
+    1SOL     O4    4   0.075096   0.065043   0.125620
+    1SOL     H5    5   0.100662   0.152796   0.097193
+    1SOL     H6    6   0.015205   0.080012   0.198773
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.170634  -0.044105   0.003394
+    0SOL     H2    2   0.078251  -0.020349   0.011357
+    0SOL     H3    3   0.207039   0.020912  -0.056687
+    1SOL     O4    4  -0.168490   0.036236  -0.005872
+    1SOL     H5    5  -0.165621  -0.005555   0.080195
+    1SOL     H6    6  -0.151846   0.128819   0.011837
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136765  -0.032911  -0.104927
+    0SOL     H2    2  -0.193446   0.044077  -0.109667
+    0SOL     H3    3  -0.054692  -0.000064  -0.068220
+    1SOL     O4    4   0.136293   0.026226   0.097519
+    1SOL     H5    5   0.178772   0.097895   0.144651
+    1SOL     H6    6   0.087862  -0.021450   0.164927
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.146226   0.007503   0.089153
+    0SOL     H2    2   0.149270  -0.011490   0.182921
+    0SOL     H3    3   0.147308   0.103077   0.083979
+    1SOL     O4    4  -0.147815  -0.015566  -0.099606
+    1SOL     H5    5  -0.122703   0.076445  -0.091494
+    1SOL     H6    6  -0.148237  -0.048346  -0.009675
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067178  -0.113596   0.109386
+    0SOL     H2    2   0.140959  -0.166880   0.079729
+    0SOL     H3    3   0.102139  -0.062840   0.182624
+    1SOL     O4    4  -0.073663   0.115641  -0.118081
+    1SOL     H5    5  -0.106149   0.163603  -0.041880
+    1SOL     H6    6  -0.044455   0.031567  -0.082856
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051328   0.133405   0.102141
+    0SOL     H2    2   0.103119   0.156467   0.025017
+    0SOL     H3    3   0.114775   0.096224   0.163414
+    1SOL     O4    4  -0.052653  -0.130570  -0.102296
+    1SOL     H5    5  -0.099598  -0.198811  -0.150272
+    1SOL     H6    6  -0.114843  -0.100805  -0.035898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.142756  -0.086067   0.070650
+    0SOL     H2    2  -0.162983   0.004170   0.045942
+    0SOL     H3    3  -0.108649  -0.125816  -0.009469
+    1SOL     O4    4   0.141614   0.080562  -0.060122
+    1SOL     H5    5   0.074050   0.121188  -0.114407
+    1SOL     H6    6   0.222821   0.093661  -0.109072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034357   0.003520   0.171615
+    0SOL     H2    2  -0.062139   0.095087   0.169193
+    0SOL     H3    3  -0.086246  -0.035449   0.241980
+    1SOL     O4    4   0.034184  -0.007612  -0.170673
+    1SOL     H5    5   0.039477  -0.048996  -0.256823
+    1SOL     H6    6   0.109583   0.051279  -0.167665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.173684   0.043823  -0.042564
+    0SOL     H2    2   0.078308   0.039127  -0.035960
+    0SOL     H3    3   0.194330  -0.001379  -0.124373
+    1SOL     O4    4  -0.166376  -0.034337   0.047642
+    1SOL     H5    5  -0.225335  -0.064722  -0.021372
+    1SOL     H6    6  -0.155292  -0.110251   0.104882
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089341   0.079399  -0.134969
+    0SOL     H2    2  -0.024211   0.012659  -0.156560
+    0SOL     H3    3  -0.073513   0.149661  -0.198017
+    1SOL     O4    4   0.081311  -0.082752   0.145388
+    1SOL     H5    5   0.042429  -0.035744   0.071627
+    1SOL     H6    6   0.175677  -0.077165   0.130349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001573   0.147228  -0.112038
+    0SOL     H2    2  -0.065489   0.186703  -0.056300
+    0SOL     H3    3  -0.044208   0.077452  -0.158917
+    1SOL     O4    4   0.004650  -0.148326   0.106652
+    1SOL     H5    5  -0.002529  -0.053744   0.119499
+    1SOL     H6    6   0.019668  -0.183397   0.194440
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112994  -0.142195  -0.070394
+    0SOL     H2    2   0.124797  -0.080086  -0.142265
+    0SOL     H3    3   0.021729  -0.131035  -0.043776
+    1SOL     O4    4  -0.106262   0.140355   0.067871
+    1SOL     H5    5  -0.198447   0.127551   0.090240
+    1SOL     H6    6  -0.058343   0.108131   0.144210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.144043  -0.064454  -0.107157
+    0SOL     H2    2   0.193266  -0.061740  -0.189205
+    0SOL     H3    3   0.056951  -0.032210  -0.130342
+    1SOL     O4    4  -0.137550   0.057071   0.114763
+    1SOL     H5    5  -0.115047   0.149266   0.102274
+    1SOL     H6    6  -0.233056   0.054663   0.108831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.143870  -0.143327  -0.008407
+    0SOL     H2    2  -0.209906  -0.108894  -0.068540
+    0SOL     H3    3  -0.104043  -0.065522   0.030612
+    1SOL     O4    4   0.138947   0.139294   0.011139
+    1SOL     H5    5   0.169854   0.082443  -0.059394
+    1SOL     H6    6   0.217198   0.157833   0.063055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.159386   0.117735  -0.061180
+    0SOL     H2    2   0.217018   0.043987  -0.081233
+    0SOL     H3    3   0.071856   0.079258  -0.056680
+    1SOL     O4    4  -0.157590  -0.111545   0.056441
+    1SOL     H5    5  -0.123841  -0.054909   0.125836
+    1SOL     H6    6  -0.206054  -0.179908   0.102702
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.160176  -0.116843  -0.044907
+    0SOL     H2    2  -0.242443  -0.165447  -0.039247
+    0SOL     H3    3  -0.182485  -0.028430  -0.015793
+    1SOL     O4    4   0.161050   0.115451   0.044366
+    1SOL     H5    5   0.191880   0.045034  -0.012672
+    1SOL     H6    6   0.240236   0.163986   0.067523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.197161   0.078947   0.004354
+    0SOL     H2    2   0.280452   0.039772  -0.021921
+    0SOL     H3    3   0.155634   0.012456   0.059278
+    1SOL     O4    4  -0.199658  -0.073799   0.001064
+    1SOL     H5    5  -0.251004  -0.012285  -0.051299
+    1SOL     H6    6  -0.147253  -0.121913  -0.062975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026965   0.072884  -0.207428
+    0SOL     H2    2  -0.003093  -0.018530  -0.192070
+    0SOL     H3    3  -0.078968   0.097297  -0.130864
+    1SOL     O4    4   0.032393  -0.063821   0.200938
+    1SOL     H5    5   0.020644  -0.142739   0.148060
+    1SOL     H6    6  -0.027689  -0.075118   0.274592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123692  -0.115471  -0.127172
+    0SOL     H2    2  -0.211097  -0.107219  -0.165311
+    0SOL     H3    3  -0.134543  -0.178128  -0.055628
+    1SOL     O4    4   0.123389   0.115862   0.124453
+    1SOL     H5    5   0.184268   0.129865   0.051927
+    1SOL     H6    6   0.168675   0.151291   0.200980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.169663  -0.128310   0.009104
+    0SOL     H2    2  -0.113039  -0.193905   0.049764
+    0SOL     H3    3  -0.218769  -0.176797  -0.057229
+    1SOL     O4    4   0.166477   0.137976  -0.012943
+    1SOL     H5    5   0.115333   0.093460   0.054622
+    1SOL     H6    6   0.257626   0.121648   0.011296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000560  -0.015662   0.211064
+    0SOL     H2    2   0.093858  -0.024656   0.198153
+    0SOL     H3    3  -0.010389   0.002351   0.304559
+    1SOL     O4    4  -0.009227   0.013847  -0.221280
+    1SOL     H5    5  -0.014047   0.079753  -0.152031
+    1SOL     H6    6   0.073209  -0.032019  -0.205062
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.021420  -0.202317  -0.093026
+    0SOL     H2    2   0.069863  -0.203544  -0.064249
+    0SOL     H3    3  -0.059994  -0.280665  -0.053834
+    1SOL     O4    4   0.020045   0.206697   0.095513
+    1SOL     H5    5  -0.047233   0.153287   0.053283
+    1SOL     H6    6   0.059930   0.256101   0.023883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.176249   0.124189  -0.050149
+    0SOL     H2    2   0.167427   0.219502  -0.050160
+    0SOL     H3    3   0.270337   0.108796  -0.058676
+    1SOL     O4    4  -0.175835  -0.125538   0.049015
+    1SOL     H5    5  -0.206085  -0.210583   0.017161
+    1SOL     H6    6  -0.242964  -0.098041   0.111465
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019012  -0.159979  -0.158554
+    0SOL     H2    2   0.053109  -0.162162  -0.247969
+    0SOL     H3    3  -0.075010  -0.145436  -0.169072
+    1SOL     O4    4  -0.013628   0.160659   0.157327
+    1SOL     H5    5   0.012517   0.202545   0.239328
+    1SOL     H6    6  -0.080972   0.097654   0.182968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063873  -0.211921   0.081958
+    0SOL     H2    2  -0.034524  -0.266726   0.009176
+    0SOL     H3    3   0.011927  -0.157397   0.103029
+    1SOL     O4    4   0.058208   0.205429  -0.077932
+    1SOL     H5    5   0.088345   0.278141  -0.023461
+    1SOL     H6    6   0.011476   0.247339  -0.150195
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.142176  -0.190709   0.024507
+    0SOL     H2    2   0.065408  -0.196354  -0.032390
+    0SOL     H3    3   0.204171  -0.136388  -0.024157
+    1SOL     O4    4  -0.135353   0.186618  -0.013484
+    1SOL     H5    5  -0.136238   0.230249  -0.098678
+    1SOL     H6    6  -0.226309   0.160610   0.001105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091142   0.182217   0.151508
+    0SOL     H2    2  -0.093347   0.104627   0.095497
+    0SOL     H3    3  -0.166596   0.172084   0.209529
+    1SOL     O4    4   0.096929  -0.182562  -0.147344
+    1SOL     H5    5   0.068544  -0.093805  -0.125465
+    1SOL     H6    6   0.100262  -0.183798  -0.242998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135196  -0.207711  -0.027898
+    0SOL     H2    2  -0.191632  -0.196051  -0.104327
+    0SOL     H3    3  -0.195833  -0.222453   0.044684
+    1SOL     O4    4   0.144420   0.211121   0.033074
+    1SOL     H5    5   0.164944   0.218729  -0.060110
+    1SOL     H6    6   0.078446   0.141913   0.037544
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000700  -0.249838   0.074866
+    0SOL     H2    2  -0.030177  -0.170716   0.029774
+    0SOL     H3    3   0.078723  -0.222965   0.121043
+    1SOL     O4    4   0.002277   0.238447  -0.072641
+    1SOL     H5    5   0.030825   0.327357  -0.093673
+    1SOL     H6    6  -0.092341   0.239575  -0.087085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111998   0.187345  -0.158938
+    0SOL     H2    2  -0.018346   0.193224  -0.140038
+    0SOL     H3    3  -0.128905   0.093521  -0.167519
+    1SOL     O4    4   0.109399  -0.176625   0.152978
+    1SOL     H5    5   0.135407  -0.268660   0.156909
+    1SOL     H6    6   0.051145  -0.164921   0.228023
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.152973  -0.093879  -0.197228
+    0SOL     H2    2  -0.132994  -0.184915  -0.175419
+    0SOL     H3    3  -0.228754  -0.099227  -0.255460
+    1SOL     O4    4   0.162834   0.098161   0.199346
+    1SOL     H5    5   0.096889   0.051225   0.250440
+    1SOL     H6    6   0.112382   0.157959   0.144200
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137715  -0.095044  -0.215533
+    0SOL     H2    2   0.110132  -0.148894  -0.141361
+    0SOL     H3    3   0.085812  -0.127285  -0.289214
+    1SOL     O4    4  -0.128729   0.104073   0.220702
+    1SOL     H5    5  -0.112746   0.016007   0.186771
+    1SOL     H6    6  -0.198667   0.138796   0.165337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.217192   0.153856  -0.139384
+    0SOL     H2    2  -0.211958   0.059963  -0.157246
+    0SOL     H3    3  -0.196412   0.161769  -0.046283
+    1SOL     O4    4   0.210890  -0.152907   0.138548
+    1SOL     H5    5   0.288577  -0.113592   0.178315
+    1SOL     H6    6   0.218626  -0.132380   0.045376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.158136   0.252749  -0.005729
+    0SOL     H2    2   0.230235   0.288754   0.045920
+    0SOL     H3    3   0.104966   0.204554   0.057615
+    1SOL     O4    4  -0.162642  -0.256268  -0.001185
+    1SOL     H5    5  -0.170521  -0.162578  -0.019142
+    1SOL     H6    6  -0.076741  -0.265672   0.039984
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072125  -0.215809   0.203256
+    0SOL     H2    2   0.007465  -0.173683   0.235708
+    0SOL     H3    3  -0.118914  -0.242811   0.282275
+    1SOL     O4    4   0.068026   0.213564  -0.215672
+    1SOL     H5    5   0.153939   0.185868  -0.183824
+    1SOL     H6    6   0.034992   0.272253  -0.147652
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064723  -0.301514  -0.123749
+    0SOL     H2    2  -0.064796  -0.363702  -0.050983
+    0SOL     H3    3  -0.136843  -0.241674  -0.104250
+    1SOL     O4    4   0.072638   0.301022   0.121761
+    1SOL     H5    5   0.067510   0.362748   0.048782
+    1SOL     H6    6  -0.011395   0.255210   0.120396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.208719   0.247142  -0.097623
+    0SOL     H2    2  -0.179422   0.337820  -0.106650
+    0SOL     H3    3  -0.129512   0.194943  -0.110423
+    1SOL     O4    4   0.206407  -0.243962   0.102559
+    1SOL     H5    5   0.166169  -0.232209   0.016507
+    1SOL     H6    6   0.194329  -0.336861   0.122213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.235646  -0.200502  -0.135632
+    0SOL     H2    2   0.165006  -0.139868  -0.157898
+    0SOL     H3    3   0.278877  -0.218665  -0.219079
+    1SOL     O4    4  -0.233466   0.202465   0.146334
+    1SOL     H5    5  -0.273663   0.213629   0.060184
+    1SOL     H6    6  -0.206878   0.110542   0.148680
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134748  -0.059302   0.311737
+    0SOL     H2    2  -0.054988  -0.043031   0.261380
+    0SOL     H3    3  -0.192433   0.013808   0.289609
+    1SOL     O4    4   0.129937   0.059903  -0.307528
+    1SOL     H5    5   0.179597   0.019808  -0.236194
+    1SOL     H6    6   0.143385   0.001318  -0.382022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.324403   0.069386   0.111720
+    0SOL     H2    2   0.310556   0.134790   0.180224
+    0SOL     H3    3   0.406107   0.025933   0.136188
+    1SOL     O4    4  -0.329520  -0.067610  -0.111609
+    1SOL     H5    5  -0.246385  -0.111625  -0.129315
+    1SOL     H6    6  -0.381072  -0.080782  -0.191178
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.354371  -0.017261   0.040500
+    0SOL     H2    2   0.437713  -0.055278   0.012732
+    0SOL     H3    3   0.289390  -0.084610   0.020400
+    1SOL     O4    4  -0.358120   0.024292  -0.032649
+    1SOL     H5    5  -0.343507  -0.061678  -0.072120
+    1SOL     H6    6  -0.317262   0.085883  -0.093473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.174912   0.077772   0.341243
+    0SOL     H2    2  -0.250014   0.029110   0.375214
+    0SOL     H3    3  -0.160097   0.041224   0.254024
+    1SOL     O4    4   0.181591  -0.067399  -0.339693
+    1SOL     H5    5   0.179992  -0.124120  -0.262606
+    1SOL     H6    6   0.121785  -0.109310  -0.401572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.379048  -0.021019  -0.164352
+    0SOL     H2    2   0.431398  -0.090698  -0.203934
+    0SOL     H3    3   0.406909  -0.019129  -0.072797
+    1SOL     O4    4  -0.382665   0.030705   0.163453
+    1SOL     H5    5  -0.425912  -0.043682   0.205389
+    1SOL     H6    6  -0.366433   0.001568   0.073732
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.354783  -0.178521  -0.144805
+    0SOL     H2    2   0.274972  -0.127878  -0.129716
+    0SOL     H3    3   0.419672  -0.113560  -0.171857
+    1SOL     O4    4  -0.355352   0.168538   0.148884
+    1SOL     H5    5  -0.402740   0.245858   0.118254
+    1SOL     H6    6  -0.273170   0.169760   0.099824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.184247   0.331334  -0.251318
+    0SOL     H2    2   0.246278   0.385372  -0.300250
+    0SOL     H3    3   0.144603   0.391441  -0.188248
+    1SOL     O4    4  -0.184840  -0.337554   0.257468
+    1SOL     H5    5  -0.261991  -0.361962   0.206338
+    1SOL     H6    6  -0.118549  -0.315739   0.191955
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.397231   0.254110   0.043597
+    0SOL     H2    2  -0.336607   0.326660   0.028644
+    0SOL     H3    3  -0.358301   0.204801   0.115814
+    1SOL     O4    4   0.390976  -0.259078  -0.051469
+    1SOL     H5    5   0.374176  -0.165462  -0.040687
+    1SOL     H6    6   0.425383  -0.287206   0.033309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116320  -0.454912  -0.137429
+    0SOL     H2    2   0.119700  -0.431520  -0.044673
+    0SOL     H3    3   0.207575  -0.452225  -0.166197
+    1SOL     O4    4  -0.117776   0.448677   0.130837
+    1SOL     H5    5  -0.094312   0.493536   0.212075
+    1SOL     H6    6  -0.200323   0.489085   0.104089
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.286733   0.423090  -0.019769
+    0SOL     H2    2  -0.379493   0.399909  -0.015246
+    0SOL     H3    3  -0.266493   0.422941  -0.113324
+    1SOL     O4    4   0.289743  -0.427066   0.028018
+    1SOL     H5    5   0.348240  -0.356306   0.055100
+    1SOL     H6    6   0.250367  -0.395804  -0.053435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.108581   0.124162   0.550193
+    0SOL     H2    2  -0.096656   0.154812   0.460300
+    0SOL     H3    3  -0.090188   0.200911   0.604355
+    1SOL     O4    4   0.112485  -0.132739  -0.549803
+    1SOL     H5    5   0.051704  -0.149512  -0.477785
+    1SOL     H6    6   0.073846  -0.059069  -0.597153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/550K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.475417   0.404610   0.071872
+    0SOL     H2    2   0.513340   0.462594   0.005826
+    0SOL     H3    3   0.533548   0.328576   0.073278
+    1SOL     O4    4  -0.485597  -0.407184  -0.064718
+    1SOL     H5    5  -0.505408  -0.330138  -0.117951
+    1SOL     H6    6  -0.390644  -0.417233  -0.071446
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026663  -0.110841  -0.068396
+    0SOL     H2    2   0.041441  -0.031654  -0.120100
+    0SOL     H3    3   0.112423  -0.153155  -0.064259
+    1SOL     O4    4  -0.035507   0.114263   0.071819
+    1SOL     H5    5  -0.055937   0.038762   0.016642
+    1SOL     H6    6   0.048804   0.092730   0.111698
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049507   0.112698   0.056003
+    0SOL     H2    2  -0.009087   0.145577  -0.024293
+    0SOL     H3    3   0.021141   0.113687   0.120580
+    1SOL     O4    4   0.042113  -0.119523  -0.058694
+    1SOL     H5    5   0.125489  -0.118949  -0.011680
+    1SOL     H6    6   0.003502  -0.033926  -0.040128
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118257  -0.064775   0.035277
+    0SOL     H2    2   0.093790  -0.154109   0.011128
+    0SOL     H3    3   0.046265  -0.010605   0.002948
+    1SOL     O4    4  -0.110777   0.065929  -0.038105
+    1SOL     H5    5  -0.167742   0.006893   0.011211
+    1SOL     H6    6  -0.088864   0.135487   0.023894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033830  -0.065791   0.109159
+    0SOL     H2    2  -0.005538  -0.046302   0.198501
+    0SOL     H3    3  -0.123633  -0.032958   0.104722
+    1SOL     O4    4   0.035148   0.067565  -0.116849
+    1SOL     H5    5   0.092003   0.001761  -0.156845
+    1SOL     H6    6   0.023902   0.037872  -0.026548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006588   0.083031   0.112794
+    0SOL     H2    2  -0.088744   0.105341   0.069033
+    0SOL     H3    3  -0.031625   0.019575   0.179942
+    1SOL     O4    4   0.011732  -0.076572  -0.118529
+    1SOL     H5    5  -0.009363  -0.065490  -0.025823
+    1SOL     H6    6   0.037138  -0.168511  -0.126537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035647  -0.100555  -0.089238
+    0SOL     H2    2  -0.126077  -0.131569  -0.084478
+    0SOL     H3    3  -0.028137  -0.061765  -0.176424
+    1SOL     O4    4   0.044816   0.101022   0.098311
+    1SOL     H5    5   0.041788   0.034503   0.029548
+    1SOL     H6    6  -0.038896   0.146868   0.091056
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091099   0.107539  -0.046321
+    0SOL     H2    2   0.069690   0.148793   0.037358
+    0SOL     H3    3   0.074573   0.014342  -0.032054
+    1SOL     O4    4  -0.084090  -0.100968   0.044155
+    1SOL     H5    5  -0.090600  -0.194478   0.024766
+    1SOL     H6    6  -0.163783  -0.063149   0.006993
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097819   0.040078   0.093954
+    0SOL     H2    2   0.192901   0.029235   0.091961
+    0SOL     H3    3   0.066234  -0.034428   0.145077
+    1SOL     O4    4  -0.107273  -0.035747  -0.099050
+    1SOL     H5    5  -0.054233  -0.113556  -0.081879
+    1SOL     H6    6  -0.051474   0.037551  -0.073046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.139724  -0.017820  -0.036620
+    0SOL     H2    2  -0.073187   0.032198   0.010638
+    0SOL     H3    3  -0.215693  -0.017708   0.021612
+    1SOL     O4    4   0.133984   0.014668   0.033337
+    1SOL     H5    5   0.171527  -0.037237  -0.037788
+    1SOL     H6    6   0.204861   0.072994   0.060482
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095527   0.076511  -0.071740
+    0SOL     H2    2  -0.018044   0.070904  -0.127662
+    0SOL     H3    3  -0.169261   0.076024  -0.132776
+    1SOL     O4    4   0.097665  -0.078833   0.083830
+    1SOL     H5    5   0.119162  -0.093178  -0.008336
+    1SOL     H6    6   0.026723  -0.014591   0.082209
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.020930  -0.059215   0.137397
+    0SOL     H2    2   0.031684  -0.019126   0.068210
+    0SOL     H3    3  -0.048158  -0.143483   0.101066
+    1SOL     O4    4   0.018853   0.063264  -0.124065
+    1SOL     H5    5   0.007029  -0.020625  -0.168619
+    1SOL     H6    6   0.039357   0.125034  -0.194253
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093635  -0.091771   0.058246
+    0SOL     H2    2   0.132032  -0.048507   0.134511
+    0SOL     H3    3   0.168795  -0.124725   0.008979
+    1SOL     O4    4  -0.100452   0.091744  -0.066501
+    1SOL     H5    5  -0.042725   0.035046  -0.015362
+    1SOL     H6    6  -0.146213   0.144621  -0.001139
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019896  -0.025021   0.149022
+    0SOL     H2    2   0.047185   0.005728   0.062581
+    0SOL     H3    3   0.008401  -0.119451   0.138377
+    1SOL     O4    4  -0.015843   0.025842  -0.142279
+    1SOL     H5    5  -0.107558  -0.001496  -0.140452
+    1SOL     H6    6  -0.018545   0.116989  -0.171387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070527   0.102649   0.087020
+    0SOL     H2    2  -0.017028   0.062562   0.018513
+    0SOL     H3    3  -0.156804   0.113286   0.046952
+    1SOL     O4    4   0.070455  -0.094503  -0.083269
+    1SOL     H5    5   0.155840  -0.136416  -0.093985
+    1SOL     H6    6   0.015929  -0.161372  -0.041824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120465   0.027614   0.086426
+    0SOL     H2    2   0.105622   0.028609   0.180983
+    0SOL     H3    3   0.033456   0.039524   0.048348
+    1SOL     O4    4  -0.113132  -0.023382  -0.088419
+    1SOL     H5    5  -0.170889  -0.074586  -0.031810
+    1SOL     H6    6  -0.097633  -0.079776  -0.164194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108312  -0.002120  -0.107976
+    0SOL     H2    2   0.160454   0.065783  -0.065166
+    0SOL     H3    3   0.017644   0.020833  -0.087610
+    1SOL     O4    4  -0.110371   0.000402   0.106080
+    1SOL     H5    5  -0.018509  -0.002467   0.132829
+    1SOL     H6    6  -0.118898  -0.070120   0.041922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043875  -0.124185  -0.054317
+    0SOL     H2    2  -0.133875  -0.154931  -0.043504
+    0SOL     H3    3  -0.019349  -0.152268  -0.142477
+    1SOL     O4    4   0.053605   0.128117   0.061172
+    1SOL     H5    5   0.014204   0.057864   0.009457
+    1SOL     H6    6  -0.016084   0.193077   0.070441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.053292   0.132148   0.033515
+    0SOL     H2    2   0.107322   0.211157   0.034333
+    0SOL     H3    3   0.071533   0.091476  -0.051193
+    1SOL     O4    4  -0.059597  -0.136062  -0.034708
+    1SOL     H5    5   0.013441  -0.174564   0.013721
+    1SOL     H6    6  -0.092653  -0.066939   0.022666
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113099   0.097272   0.010073
+    0SOL     H2    2   0.133198   0.177268   0.058642
+    0SOL     H3    3   0.031054   0.066018   0.048207
+    1SOL     O4    4  -0.106343  -0.095190  -0.020416
+    1SOL     H5    5  -0.062856  -0.158851   0.036317
+    1SOL     H6    6  -0.198840  -0.100953   0.003527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029968   0.017463   0.147864
+    0SOL     H2    2   0.024768  -0.036750   0.204672
+    0SOL     H3    3   0.026486   0.039060   0.073642
+    1SOL     O4    4   0.020347  -0.009632  -0.144773
+    1SOL     H5    5   0.034317  -0.089285  -0.093561
+    1SOL     H6    6   0.063679  -0.026929  -0.228352
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065673   0.102666  -0.083260
+    0SOL     H2    2  -0.108610   0.133194  -0.003343
+    0SOL     H3    3  -0.026368   0.181384  -0.120956
+    1SOL     O4    4   0.068248  -0.114085   0.081574
+    1SOL     H5    5   0.022498  -0.081011   0.004274
+    1SOL     H6    6   0.063584  -0.042329   0.144754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068503   0.128165   0.032029
+    0SOL     H2    2  -0.137187   0.100909   0.092872
+    0SOL     H3    3  -0.004766   0.174027   0.086770
+    1SOL     O4    4   0.075415  -0.129489  -0.040356
+    1SOL     H5    5   0.036257  -0.049058  -0.006299
+    1SOL     H6    6   0.010159  -0.197270  -0.022760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085184  -0.065404   0.114049
+    0SOL     H2    2  -0.077338  -0.013462   0.034032
+    0SOL     H3    3  -0.015873  -0.131038   0.106947
+    1SOL     O4    4   0.074701   0.067210  -0.108977
+    1SOL     H5    5   0.145121   0.131607  -0.101477
+    1SOL     H6    6   0.119771  -0.016250  -0.121843
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042802   0.120464   0.082047
+    0SOL     H2    2  -0.015491   0.192308   0.106598
+    0SOL     H3    3  -0.006117   0.041227   0.104202
+    1SOL     O4    4  -0.039395  -0.125665  -0.081107
+    1SOL     H5    5  -0.072026  -0.035797  -0.076489
+    1SOL     H6    6   0.032690  -0.121822  -0.143966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104918   0.067299   0.095837
+    0SOL     H2    2   0.017619   0.073600   0.057089
+    0SOL     H3    3   0.108186  -0.020658   0.133456
+    1SOL     O4    4  -0.100568  -0.055844  -0.094800
+    1SOL     H5    5  -0.029060  -0.118179  -0.082022
+    1SOL     H6    6  -0.172129  -0.108412  -0.130549
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127284  -0.020371   0.083914
+    0SOL     H2    2  -0.153565  -0.109433   0.107142
+    0SOL     H3    3  -0.034922  -0.028071   0.059994
+    1SOL     O4    4   0.120620   0.025051  -0.079226
+    1SOL     H5    5   0.090318   0.053122  -0.165575
+    1SOL     H6    6   0.215548   0.017036  -0.088541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048080   0.130837  -0.050174
+    0SOL     H2    2  -0.077650   0.115342  -0.139884
+    0SOL     H3    3  -0.058798   0.225081  -0.037314
+    1SOL     O4    4   0.044257  -0.135687   0.057042
+    1SOL     H5    5   0.090796  -0.193780  -0.003138
+    1SOL     H6    6   0.093409  -0.053607   0.053990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020989   0.138417   0.076536
+    0SOL     H2    2  -0.011030   0.182711  -0.002046
+    0SOL     H3    3  -0.002529   0.046542   0.063563
+    1SOL     O4    4  -0.013546  -0.135499  -0.076205
+    1SOL     H5    5  -0.104970  -0.109068  -0.086471
+    1SOL     H6    6  -0.008325  -0.169685   0.013050
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025233  -0.149896   0.035681
+    0SOL     H2    2   0.066073  -0.184641  -0.043611
+    0SOL     H3    3   0.084469  -0.080567   0.064782
+    1SOL     O4    4  -0.025068   0.150397  -0.035826
+    1SOL     H5    5  -0.085537   0.200412   0.018986
+    1SOL     H6    6  -0.061681   0.061971  -0.037441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025217  -0.048031   0.151578
+    0SOL     H2    2   0.013821  -0.077692   0.061286
+    0SOL     H3    3   0.023248   0.047499   0.145887
+    1SOL     O4    4  -0.027532   0.047021  -0.140587
+    1SOL     H5    5   0.051890   0.074790  -0.186231
+    1SOL     H6    6  -0.060046  -0.026983  -0.191857
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.140132  -0.034917  -0.064157
+    0SOL     H2    2   0.232501  -0.029689  -0.039602
+    0SOL     H3    3   0.093810   0.008944   0.007206
+    1SOL     O4    4  -0.141144   0.028779   0.052065
+    1SOL     H5    5  -0.209384   0.002847   0.113977
+    1SOL     H6    6  -0.103906   0.108639   0.089455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073135   0.101312  -0.107401
+    0SOL     H2    2   0.073663   0.007797  -0.086980
+    0SOL     H3    3  -0.007807   0.133996  -0.068127
+    1SOL     O4    4  -0.073780  -0.101364   0.103703
+    1SOL     H5    5  -0.047940  -0.042103   0.174292
+    1SOL     H6    6  -0.001644  -0.096832   0.040949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068688  -0.121335  -0.084890
+    0SOL     H2    2  -0.025767  -0.046944  -0.042628
+    0SOL     H3    3  -0.065286  -0.191262  -0.019613
+    1SOL     O4    4   0.071256   0.120025   0.074993
+    1SOL     H5    5   0.002858   0.186283   0.065305
+    1SOL     H6    6   0.049482   0.074796   0.156495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026265  -0.035060   0.153568
+    0SOL     H2    2  -0.025654  -0.130772   0.154684
+    0SOL     H3    3   0.065634  -0.010600   0.142680
+    1SOL     O4    4   0.018636   0.042057  -0.157292
+    1SOL     H5    5   0.113131   0.033762  -0.144478
+    1SOL     H6    6  -0.019741  -0.013940  -0.089809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.060566  -0.106948  -0.116571
+    0SOL     H2    2  -0.014878  -0.163495  -0.054304
+    0SOL     H3    3  -0.038979  -0.018009  -0.088533
+    1SOL     O4    4   0.051155   0.106424   0.109522
+    1SOL     H5    5   0.072990   0.090557   0.201358
+    1SOL     H6    6   0.134063   0.095595   0.062925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067695  -0.088507  -0.117686
+    0SOL     H2    2  -0.029770  -0.167138  -0.078428
+    0SOL     H3    3  -0.075712  -0.109603  -0.210708
+    1SOL     O4    4   0.061183   0.093067   0.123135
+    1SOL     H5    5   0.080507   0.113099   0.031551
+    1SOL     H6    6   0.147071   0.086058   0.164806
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.154579   0.066452  -0.011587
+    0SOL     H2    2  -0.189209   0.101602  -0.093609
+    0SOL     H3    3  -0.077556   0.015989  -0.037725
+    1SOL     O4    4   0.149223  -0.060003   0.016311
+    1SOL     H5    5   0.236775  -0.074096   0.052344
+    1SOL     H6    6   0.117806  -0.147767  -0.005432
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013318  -0.161893  -0.003866
+    0SOL     H2    2   0.075712  -0.195412  -0.014467
+    0SOL     H3    3  -0.067740  -0.221716  -0.055070
+    1SOL     O4    4   0.014759   0.169669   0.008055
+    1SOL     H5    5  -0.062130   0.144871   0.059391
+    1SOL     H6    6   0.006667   0.119485  -0.073053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082097   0.139621   0.027107
+    0SOL     H2    2  -0.159947   0.193460   0.012856
+    0SOL     H3    3  -0.072728   0.135694   0.122287
+    1SOL     O4    4   0.081464  -0.147649  -0.033764
+    1SOL     H5    5   0.067266  -0.053004  -0.035545
+    1SOL     H6    6   0.171104  -0.157871  -0.001786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.037757   0.126329   0.104330
+    0SOL     H2    2  -0.025664   0.125221   0.009383
+    0SOL     H3    3  -0.053043   0.218418   0.125502
+    1SOL     O4    4   0.040148  -0.135939  -0.096372
+    1SOL     H5    5   0.079480  -0.048674  -0.096918
+    1SOL     H6    6  -0.029230  -0.131405  -0.162163
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099454  -0.129858  -0.001140
+    0SOL     H2    2  -0.156820  -0.130892   0.075479
+    0SOL     H3    3  -0.138755  -0.192996  -0.061400
+    1SOL     O4    4   0.107231   0.139624   0.000021
+    1SOL     H5    5   0.122476   0.062933  -0.055192
+    1SOL     H6    6   0.048736   0.108286   0.069003
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099071   0.133998   0.062390
+    0SOL     H2    2  -0.031527   0.132802  -0.005424
+    0SOL     H3    3  -0.089985   0.049693   0.106801
+    1SOL     O4    4   0.093629  -0.128317  -0.055325
+    1SOL     H5    5   0.076094  -0.072166  -0.130836
+    1SOL     H6    6   0.135448  -0.206027  -0.092400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069397  -0.069488   0.143208
+    0SOL     H2    2   0.010839  -0.108598   0.078372
+    0SOL     H3    3   0.050956  -0.117233   0.224094
+    1SOL     O4    4  -0.065566   0.068624  -0.148734
+    1SOL     H5    5  -0.019774   0.077029  -0.065100
+    1SOL     H6    6  -0.103669   0.155091  -0.164028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063019  -0.103614   0.134089
+    0SOL     H2    2  -0.002254  -0.049680   0.083483
+    0SOL     H3    3  -0.119084  -0.144757   0.068314
+    1SOL     O4    4   0.064579   0.109336  -0.129558
+    1SOL     H5    5  -0.020199   0.066753  -0.116838
+    1SOL     H6    6   0.128314   0.046567  -0.095497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083061  -0.132224  -0.064228
+    0SOL     H2    2   0.087040  -0.158749  -0.156114
+    0SOL     H3    3   0.101735  -0.212341  -0.015291
+    1SOL     O4    4  -0.090015   0.140221   0.064795
+    1SOL     H5    5  -0.056893   0.133391   0.154341
+    1SOL     H6    6  -0.017238   0.110870   0.009983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074734  -0.053284   0.156562
+    0SOL     H2    2   0.006211  -0.092963   0.102779
+    0SOL     H3    3   0.146849  -0.037382   0.095662
+    1SOL     O4    4  -0.074282   0.049707  -0.145472
+    1SOL     H5    5  -0.153784   0.089974  -0.180406
+    1SOL     H6    6  -0.002826   0.094228  -0.191015
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153335   0.044273  -0.080433
+    0SOL     H2    2   0.164338  -0.048663  -0.100535
+    0SOL     H3    3   0.091158   0.075815  -0.146018
+    1SOL     O4    4  -0.153681  -0.043343   0.090251
+    1SOL     H5    5  -0.179556   0.017784   0.021284
+    1SOL     H6    6  -0.058579  -0.050183   0.081816
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029805   0.146078   0.109437
+    0SOL     H2    2  -0.111800   0.102317   0.086544
+    0SOL     H3    3   0.027946   0.129324   0.034963
+    1SOL     O4    4   0.025854  -0.139379  -0.103124
+    1SOL     H5    5   0.111407  -0.109363  -0.072432
+    1SOL     H6    6   0.042651  -0.226112  -0.139969
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058445  -0.104875  -0.134048
+    0SOL     H2    2   0.086067  -0.160887  -0.061509
+    0SOL     H3    3  -0.031947  -0.131071  -0.151524
+    1SOL     O4    4  -0.049918   0.113495   0.132471
+    1SOL     H5    5  -0.071343   0.042013   0.192417
+    1SOL     H6    6  -0.113338   0.104943   0.061287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043874   0.169202  -0.069440
+    0SOL     H2    2   0.059552   0.117556   0.009612
+    0SOL     H3    3  -0.051229   0.179471  -0.072930
+    1SOL     O4    4  -0.042628  -0.168025   0.070665
+    1SOL     H5    5   0.031452  -0.217660   0.035868
+    1SOL     H6    6  -0.058664  -0.099899   0.005365
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083549  -0.036500  -0.160816
+    0SOL     H2    2   0.144654  -0.093604  -0.114258
+    0SOL     H3    3   0.122052   0.050835  -0.153571
+    1SOL     O4    4  -0.086954   0.038911   0.162824
+    1SOL     H5    5  -0.154134  -0.029040   0.168460
+    1SOL     H6    6  -0.055048   0.033699   0.072729
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057849   0.059355  -0.162693
+    0SOL     H2    2   0.019674   0.121925  -0.224256
+    0SOL     H3    3   0.022506  -0.025425  -0.189629
+    1SOL     O4    4  -0.059212  -0.055151   0.168207
+    1SOL     H5    5   0.017752  -0.030069   0.219292
+    1SOL     H6    6  -0.029713  -0.129139   0.115123
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.071322  -0.157627   0.063057
+    0SOL     H2    2  -0.106855  -0.241481   0.092522
+    0SOL     H3    3  -0.138394  -0.093531   0.086623
+    1SOL     O4    4   0.081138   0.158277  -0.070424
+    1SOL     H5    5   0.047542   0.232172  -0.019698
+    1SOL     H6    6   0.036120   0.081921  -0.034294
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094282  -0.074083  -0.156647
+    0SOL     H2    2  -0.107801  -0.073809  -0.061887
+    0SOL     H3    3  -0.011469  -0.120485  -0.168941
+    1SOL     O4    4   0.095719   0.078283   0.154295
+    1SOL     H5    5   0.009660   0.059284   0.191647
+    1SOL     H6    6   0.082231   0.074156   0.059620
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029553  -0.181869  -0.061651
+    0SOL     H2    2  -0.091430  -0.118300  -0.025700
+    0SOL     H3    3  -0.038109  -0.172670  -0.156543
+    1SOL     O4    4   0.029414   0.180413   0.060786
+    1SOL     H5    5   0.013375   0.166434   0.154112
+    1SOL     H6    6   0.118399   0.148111   0.046626
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.153067  -0.063404  -0.109557
+    0SOL     H2    2  -0.102448  -0.138944  -0.079661
+    0SOL     H3    3  -0.185913  -0.023181  -0.029148
+    1SOL     O4    4   0.151210   0.067657   0.109887
+    1SOL     H5    5   0.158541  -0.023942   0.083089
+    1SOL     H6    6   0.158934   0.117206   0.028355
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.177809   0.014005  -0.093767
+    0SOL     H2    2   0.097314   0.027961  -0.043886
+    0SOL     H3    3   0.203009  -0.076180  -0.073921
+    1SOL     O4    4  -0.180210  -0.007859   0.086279
+    1SOL     H5    5  -0.107185   0.047773   0.113385
+    1SOL     H6    6  -0.159165  -0.094155   0.121950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082891   0.079522   0.157742
+    0SOL     H2    2  -0.053457   0.170565   0.160407
+    0SOL     H3    3  -0.170710   0.083790   0.119901
+    1SOL     O4    4   0.085354  -0.083204  -0.162515
+    1SOL     H5    5   0.139331  -0.036441  -0.098781
+    1SOL     H6    6   0.046517  -0.155214  -0.112830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030518  -0.042887   0.185983
+    0SOL     H2    2   0.114576  -0.068192   0.147823
+    0SOL     H3    3   0.022357  -0.097314   0.264299
+    1SOL     O4    4  -0.029941   0.050499  -0.190827
+    1SOL     H5    5  -0.050283   0.022351  -0.101629
+    1SOL     H6    6  -0.108394   0.028973  -0.241266
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.174620  -0.036649  -0.077905
+    0SOL     H2    2   0.189304  -0.085319  -0.159010
+    0SOL     H3    3   0.250814   0.020781  -0.070250
+    1SOL     O4    4  -0.173986   0.037698   0.078143
+    1SOL     H5    5  -0.228219   0.100019   0.126489
+    1SOL     H6    6  -0.213559  -0.047576   0.096161
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069517   0.016100   0.196003
+    0SOL     H2    2   0.124690   0.089044   0.167763
+    0SOL     H3    3   0.004650   0.006666   0.126250
+    1SOL     O4    4  -0.070766  -0.025973  -0.193761
+    1SOL     H5    5  -0.126819   0.035040  -0.145825
+    1SOL     H6    6   0.014707   0.017032  -0.196472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.182278   0.002566   0.106161
+    0SOL     H2    2   0.148162  -0.077664   0.145677
+    0SOL     H3    3   0.105358   0.045412   0.068612
+    1SOL     O4    4  -0.178037  -0.004309  -0.111710
+    1SOL     H5    5  -0.187142  -0.030042  -0.019965
+    1SOL     H6    6  -0.136474   0.081855  -0.108457
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006792  -0.068777   0.198648
+    0SOL     H2    2  -0.028229   0.017024   0.174690
+    0SOL     H3    3   0.078886  -0.049394   0.258558
+    1SOL     O4    4  -0.009658   0.068316  -0.201858
+    1SOL     H5    5   0.052565   0.027330  -0.141768
+    1SOL     H6    6  -0.058686  -0.004897  -0.239255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101052  -0.179706   0.018821
+    0SOL     H2    2   0.163473  -0.246279   0.047699
+    0SOL     H3    3   0.033008  -0.228924  -0.027113
+    1SOL     O4    4  -0.101535   0.179495  -0.017769
+    1SOL     H5    5  -0.048262   0.230238   0.043464
+    1SOL     H6    6  -0.138788   0.244810  -0.077000
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.151737  -0.109869   0.110953
+    0SOL     H2    2   0.087801  -0.155805   0.056506
+    0SOL     H3    3   0.192562  -0.178790   0.163350
+    1SOL     O4    4  -0.148813   0.121477  -0.114468
+    1SOL     H5    5  -0.215577   0.114033  -0.046281
+    1SOL     H6    6  -0.112390   0.033289  -0.122121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132395   0.081838   0.158203
+    0SOL     H2    2  -0.151245   0.072867   0.251619
+    0SOL     H3    3  -0.036875   0.085518   0.153240
+    1SOL     O4    4   0.131969  -0.077973  -0.160464
+    1SOL     H5    5   0.076921  -0.142200  -0.115664
+    1SOL     H6    6   0.105913  -0.083984  -0.252373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.185412  -0.038789   0.110977
+    0SOL     H2    2  -0.219308   0.009561   0.186314
+    0SOL     H3    3  -0.263463  -0.072526   0.067021
+    1SOL     O4    4   0.187702   0.035143  -0.115322
+    1SOL     H5    5   0.205704   0.128937  -0.108922
+    1SOL     H6    6   0.263186  -0.006664  -0.073890
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.215547  -0.088466   0.012365
+    0SOL     H2    2   0.223591  -0.101943   0.106790
+    0SOL     H3    3   0.156899  -0.013308   0.003760
+    1SOL     O4    4  -0.218940   0.083813  -0.015174
+    1SOL     H5    5  -0.138886   0.088723   0.037071
+    1SOL     H6    6  -0.190347   0.102099  -0.104675
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.177524  -0.140230   0.063569
+    0SOL     H2    2   0.164396  -0.118997   0.155977
+    0SOL     H3    3   0.171944  -0.055942   0.018550
+    1SOL     O4    4  -0.174754   0.129191  -0.065048
+    1SOL     H5    5  -0.151301   0.183747  -0.140120
+    1SOL     H6    6  -0.233313   0.184059  -0.012869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140061   0.154829  -0.114080
+    0SOL     H2    2  -0.125672   0.061661  -0.130661
+    0SOL     H3    3  -0.208669   0.157017  -0.047368
+    1SOL     O4    4   0.142600  -0.146491   0.106068
+    1SOL     H5    5   0.217748  -0.190428   0.145876
+    1SOL     H6    6   0.068541  -0.170371   0.161810
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.152503   0.155331  -0.084885
+    0SOL     H2    2   0.103963   0.235560  -0.065660
+    0SOL     H3    3   0.186694   0.168571  -0.173304
+    1SOL     O4    4  -0.158087  -0.157594   0.088549
+    1SOL     H5    5  -0.091007  -0.159377   0.020288
+    1SOL     H6    6  -0.118819  -0.204732   0.162022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009799   0.205818  -0.111976
+    0SOL     H2    2   0.102604   0.189594  -0.095052
+    0SOL     H3    3   0.007422   0.293253  -0.150859
+    1SOL     O4    4  -0.019789  -0.213996   0.108896
+    1SOL     H5    5   0.069350  -0.180486   0.099220
+    1SOL     H6    6  -0.043388  -0.193640   0.199401
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.212160  -0.112642   0.017967
+    0SOL     H2    2  -0.301448  -0.080257   0.006085
+    0SOL     H3    3  -0.158184  -0.033649   0.020994
+    1SOL     O4    4   0.210106   0.104189  -0.021950
+    1SOL     H5    5   0.296882   0.071128   0.001272
+    1SOL     H6    6   0.197933   0.180958   0.033912
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006426  -0.186365   0.145906
+    0SOL     H2    2   0.044337  -0.155248   0.228106
+    0SOL     H3    3   0.059992  -0.261966   0.121874
+    1SOL     O4    4  -0.014786   0.182664  -0.147697
+    1SOL     H5    5   0.078389   0.183969  -0.169584
+    1SOL     H6    6  -0.040382   0.274886  -0.146210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.252108  -0.028963  -0.004288
+    0SOL     H2    2  -0.229055  -0.103413   0.051283
+    0SOL     H3    3  -0.168017   0.009666  -0.028758
+    1SOL     O4    4   0.238790   0.030647   0.003848
+    1SOL     H5    5   0.280209   0.039906  -0.081949
+    1SOL     H6    6   0.311617   0.032191   0.065946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.156283  -0.160628  -0.107789
+    0SOL     H2    2  -0.243131  -0.120384  -0.108241
+    0SOL     H3    3  -0.170350  -0.247646  -0.070475
+    1SOL     O4    4   0.167193   0.159620   0.105685
+    1SOL     H5    5   0.125854   0.200718   0.181609
+    1SOL     H6    6   0.108416   0.179338   0.032754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.215863  -0.053134   0.128730
+    0SOL     H2    2  -0.162032  -0.044670   0.207425
+    0SOL     H3    3  -0.219395   0.035369   0.092437
+    1SOL     O4    4   0.212439   0.041477  -0.136003
+    1SOL     H5    5   0.154030   0.051970  -0.060899
+    1SOL     H6    6   0.270986   0.117077  -0.131620
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.023487   0.028436   0.258408
+    0SOL     H2    2   0.102966  -0.023487   0.270630
+    0SOL     H3    3   0.030436   0.062304   0.169150
+    1SOL     O4    4  -0.026867  -0.026554  -0.247584
+    1SOL     H5    5  -0.002582   0.025137  -0.324399
+    1SOL     H6    6  -0.082668  -0.096204  -0.282190
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058948   0.209902   0.155999
+    0SOL     H2    2   0.093540   0.167781   0.077313
+    0SOL     H3    3  -0.035085   0.217489   0.139793
+    1SOL     O4    4  -0.061772  -0.207419  -0.153561
+    1SOL     H5    5  -0.041932  -0.242303  -0.066660
+    1SOL     H6    6   0.023287  -0.181549  -0.189029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.254022  -0.040362   0.068000
+    0SOL     H2    2   0.323881  -0.098308   0.037598
+    0SOL     H3    3   0.231475   0.012323  -0.008670
+    1SOL     O4    4  -0.261081   0.036713  -0.058695
+    1SOL     H5    5  -0.168797   0.054841  -0.040882
+    1SOL     H6    6  -0.282249   0.091803  -0.134056
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.219972  -0.091567   0.140883
+    0SOL     H2    2   0.260741  -0.022654   0.088431
+    0SOL     H3    3   0.173884  -0.146136   0.077161
+    1SOL     O4    4  -0.212968   0.088692  -0.133894
+    1SOL     H5    5  -0.291882   0.037410  -0.116430
+    1SOL     H6    6  -0.245162   0.177192  -0.151032
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.342597  -0.130792  -0.002259
+    0SOL     H2    2  -0.365214  -0.091967  -0.086777
+    0SOL     H3    3  -0.354958  -0.224855  -0.014981
+    1SOL     O4    4   0.344156   0.140537   0.010738
+    1SOL     H5    5   0.393478   0.106475  -0.063891
+    1SOL     H6    6   0.301733   0.063548   0.048622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039686  -0.066129  -0.381318
+    0SOL     H2    2  -0.099557  -0.110484  -0.441406
+    0SOL     H3    3   0.016149  -0.135973  -0.347164
+    1SOL     O4    4   0.036588   0.069665   0.377341
+    1SOL     H5    5   0.022936   0.160391   0.404631
+    1SOL     H6    6   0.101729   0.035691   0.438699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007000  -0.136771   0.371810
+    0SOL     H2    2   0.008811  -0.211884   0.314623
+    0SOL     H3    3   0.068820  -0.134682   0.430198
+    1SOL     O4    4   0.001249   0.144300  -0.377371
+    1SOL     H5    5  -0.012621   0.171176  -0.286555
+    1SOL     H6    6   0.024727   0.051679  -0.371670
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062878  -0.442484   0.024727
+    0SOL     H2    2   0.045347  -0.453414  -0.068737
+    0SOL     H3    3   0.083808  -0.349595   0.034517
+    1SOL     O4    4  -0.059140   0.440218  -0.024550
+    1SOL     H5    5  -0.047869   0.446256   0.070312
+    1SOL     H6    6  -0.138710   0.388260  -0.036004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161570  -0.322784   0.300804
+    0SOL     H2    2  -0.178727  -0.245106   0.247569
+    0SOL     H3    3  -0.181561  -0.396400   0.242982
+    1SOL     O4    4   0.162635   0.323200  -0.300614
+    1SOL     H5    5   0.217868   0.254393  -0.263503
+    1SOL     H6    6   0.131218   0.372312  -0.224698
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000337   0.474576   0.091760
+    0SOL     H2    2  -0.036614   0.392024   0.060420
+    0SOL     H3    3   0.094845   0.464369   0.080519
+    1SOL     O4    4  -0.005978  -0.475800  -0.089660
+    1SOL     H5    5   0.025139  -0.419384  -0.160450
+    1SOL     H6    6  -0.000486  -0.421166  -0.011255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.162571   0.231792  -0.459265
+    0SOL     H2    2  -0.192766   0.182928  -0.382696
+    0SOL     H3    3  -0.144081   0.164583  -0.524866
+    1SOL     O4    4   0.159875  -0.230617   0.458456
+    1SOL     H5    5   0.130166  -0.143013   0.483059
+    1SOL     H6    6   0.252511  -0.219428   0.437110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.414871  -0.448311  -0.030162
+    0SOL     H2    2   0.478949  -0.395308  -0.077564
+    0SOL     H3    3   0.387297  -0.514771  -0.093289
+    1SOL     O4    4  -0.410831   0.451335   0.035185
+    1SOL     H5    5  -0.441586   0.365027   0.062889
+    1SOL     H6    6  -0.490788   0.502518   0.022959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/560K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.481729  -0.405994   0.029504
+    0SOL     H2    2  -0.437835  -0.451153  -0.042581
+    0SOL     H3    3  -0.574009  -0.404312   0.004127
+    1SOL     O4    4   0.490018   0.411097  -0.020691
+    1SOL     H5    5   0.472003   0.319870  -0.043394
+    1SOL     H6    6   0.413709   0.459284  -0.052585
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007620  -0.066891   0.102013
+    0SOL     H2    2   0.083464  -0.040318   0.114658
+    0SOL     H3    3  -0.002211  -0.157680   0.072175
+    1SOL     O4    4   0.004499   0.069895  -0.107194
+    1SOL     H5    5  -0.012195   0.008384  -0.035779
+    1SOL     H6    6  -0.030611   0.153224  -0.075794
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054359   0.098094   0.055551
+    0SOL     H2    2  -0.016441   0.163334  -0.003341
+    0SOL     H3    3   0.020830   0.060526   0.101351
+    1SOL     O4    4   0.054196  -0.099651  -0.055938
+    1SOL     H5    5   0.004412  -0.181255  -0.050982
+    1SOL     H6    6  -0.010912  -0.030922  -0.041807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060305  -0.069803   0.089285
+    0SOL     H2    2  -0.021514  -0.105029   0.124313
+    0SOL     H3    3   0.073370   0.012277   0.136766
+    1SOL     O4    4  -0.053828   0.071636  -0.097971
+    1SOL     H5    5  -0.026827   0.041249  -0.011312
+    1SOL     H6    6  -0.135223   0.024472  -0.115656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111462  -0.035767  -0.036834
+    0SOL     H2    2  -0.121161  -0.105400  -0.101792
+    0SOL     H3    3  -0.200873  -0.006019  -0.020009
+    1SOL     O4    4   0.120982   0.034206   0.035706
+    1SOL     H5    5   0.025983   0.045401   0.032217
+    1SOL     H6    6   0.149136   0.090418   0.107886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091306   0.042719   0.093456
+    0SOL     H2    2   0.047605  -0.024806   0.041563
+    0SOL     H3    3   0.046337   0.123889   0.069971
+    1SOL     O4    4  -0.084119  -0.038471  -0.090865
+    1SOL     H5    5  -0.036452  -0.121462  -0.092493
+    1SOL     H6    6  -0.168673  -0.060128  -0.051571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019890  -0.078488  -0.111898
+    0SOL     H2    2  -0.046687  -0.011393  -0.049108
+    0SOL     H3    3   0.052902  -0.123636  -0.069175
+    1SOL     O4    4   0.012250   0.075410   0.100316
+    1SOL     H5    5   0.009876   0.049611   0.192463
+    1SOL     H6    6   0.091690   0.128192   0.092211
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077359  -0.098610  -0.060861
+    0SOL     H2    2   0.079959  -0.033387   0.009150
+    0SOL     H3    3   0.004521  -0.071139  -0.116559
+    1SOL     O4    4  -0.070290   0.091141   0.052975
+    1SOL     H5    5  -0.116890   0.029280   0.109226
+    1SOL     H6    6  -0.068414   0.172575   0.103248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054425  -0.110092   0.061232
+    0SOL     H2    2  -0.149127  -0.096203   0.062163
+    0SOL     H3    3  -0.018060  -0.025730   0.034342
+    1SOL     O4    4   0.055191   0.097420  -0.057746
+    1SOL     H5    5   0.044070   0.143451  -0.140932
+    1SOL     H6    6   0.105666   0.157926  -0.003399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047351   0.005842   0.118424
+    0SOL     H2    2  -0.020825  -0.002011   0.185153
+    0SOL     H3    3   0.099184   0.081493   0.145858
+    1SOL     O4    4  -0.049282  -0.005746  -0.124416
+    1SOL     H5    5  -0.008008  -0.040458  -0.045335
+    1SOL     H6    6  -0.028088  -0.069564  -0.192537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114114   0.048641   0.040744
+    0SOL     H2    2  -0.150086   0.039799   0.129006
+    0SOL     H3    3  -0.155279  -0.021931  -0.009129
+    1SOL     O4    4   0.119085  -0.049713  -0.044735
+    1SOL     H5    5   0.181871   0.019698  -0.064798
+    1SOL     H6    6   0.051245  -0.006455   0.007118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123753   0.049125   0.051817
+    0SOL     H2    2  -0.169102  -0.033713   0.036212
+    0SOL     H3    3  -0.060021   0.055369  -0.019328
+    1SOL     O4    4   0.117050  -0.045447  -0.047587
+    1SOL     H5    5   0.181072  -0.116559  -0.050131
+    1SOL     H6    6   0.168977   0.032970  -0.029795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110753   0.083989   0.032595
+    0SOL     H2    2  -0.041758   0.018522   0.021818
+    0SOL     H3    3  -0.191321   0.032892   0.040348
+    1SOL     O4    4   0.105376  -0.075732  -0.031455
+    1SOL     H5    5   0.169809  -0.113467   0.028434
+    1SOL     H6    6   0.154538  -0.058284  -0.111711
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.033186   0.137369  -0.021196
+    0SOL     H2    2  -0.038797   0.041833  -0.019262
+    0SOL     H3    3  -0.091851   0.166275   0.048698
+    1SOL     O4    4   0.041138  -0.130300   0.015196
+    1SOL     H5    5   0.006212  -0.213056  -0.017878
+    1SOL     H6    6  -0.011400  -0.111447   0.092956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006070  -0.125835   0.066282
+    0SOL     H2    2  -0.022236  -0.129364  -0.025089
+    0SOL     H3    3   0.101460  -0.119402   0.061623
+    1SOL     O4    4  -0.015132   0.124579  -0.057399
+    1SOL     H5    5  -0.006637   0.182653  -0.133014
+    1SOL     H6    6   0.071840   0.086014  -0.046867
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054040  -0.059107  -0.112295
+    0SOL     H2    2  -0.010904  -0.144114  -0.120980
+    0SOL     H3    3  -0.147128  -0.080090  -0.104770
+    1SOL     O4    4   0.057682   0.071185   0.113567
+    1SOL     H5    5   0.059870  -0.002700   0.174383
+    1SOL     H6    6   0.034163   0.032253   0.029344
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113393  -0.056428   0.066436
+    0SOL     H2    2   0.183777  -0.005252   0.106303
+    0SOL     H3    3   0.057887   0.008580   0.023360
+    1SOL     O4    4  -0.110372   0.055380  -0.064911
+    1SOL     H5    5  -0.088266  -0.023280  -0.114774
+    1SOL     H6    6  -0.200318   0.040740  -0.035624
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134958  -0.055594  -0.007324
+    0SOL     H2    2  -0.046764  -0.021903   0.008456
+    0SOL     H3    3  -0.177724   0.012498  -0.059256
+    1SOL     O4    4   0.127833   0.046980   0.010434
+    1SOL     H5    5   0.171848   0.109667   0.067840
+    1SOL     H6    6   0.184994   0.040239  -0.066048
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031043  -0.000940  -0.136174
+    0SOL     H2    2   0.039338   0.088117  -0.170269
+    0SOL     H3    3  -0.048773  -0.034821  -0.176719
+    1SOL     O4    4  -0.026048  -0.005681   0.146526
+    1SOL     H5    5  -0.090317   0.062805   0.128049
+    1SOL     H6    6   0.022193  -0.016081   0.064508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109183  -0.048838   0.085223
+    0SOL     H2    2   0.165180  -0.092014   0.020706
+    0SOL     H3    3   0.043707  -0.002502   0.032990
+    1SOL     O4    4  -0.102488   0.052134  -0.077339
+    1SOL     H5    5  -0.166662   0.073273  -0.145141
+    1SOL     H6    6  -0.141498  -0.020894  -0.029304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018950  -0.034485  -0.143392
+    0SOL     H2    2  -0.057813  -0.120313  -0.126493
+    0SOL     H3    3  -0.049510   0.020345  -0.071128
+    1SOL     O4    4   0.015814   0.035348   0.141228
+    1SOL     H5    5   0.061516  -0.008482   0.069446
+    1SOL     H6    6   0.080835   0.095122   0.178129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125990  -0.028359  -0.075079
+    0SOL     H2    2   0.046729  -0.001874  -0.028403
+    0SOL     H3    3   0.101914  -0.024052  -0.167622
+    1SOL     O4    4  -0.114833   0.029924   0.074370
+    1SOL     H5    5  -0.166391  -0.045170   0.044961
+    1SOL     H6    6  -0.144406   0.045706   0.164028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016236  -0.046706   0.140326
+    0SOL     H2    2   0.053420  -0.016415   0.057488
+    0SOL     H3    3   0.080658  -0.108843   0.174253
+    1SOL     O4    4  -0.017026   0.052654  -0.135813
+    1SOL     H5    5  -0.109731   0.053135  -0.111983
+    1SOL     H6    6  -0.007504  -0.023025  -0.193642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.005826   0.108755  -0.109760
+    0SOL     H2    2   0.086144   0.143533  -0.071005
+    0SOL     H3    3  -0.020784   0.038310  -0.050669
+    1SOL     O4    4  -0.009933  -0.099839   0.100596
+    1SOL     H5    5  -0.015059  -0.185365   0.057919
+    1SOL     H6    6   0.007884  -0.119897   0.192479
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.029015  -0.141852   0.000091
+    0SOL     H2    2   0.089946  -0.169879  -0.068204
+    0SOL     H3    3  -0.011554  -0.222927   0.030803
+    1SOL     O4    4  -0.025529   0.151801   0.004092
+    1SOL     H5    5  -0.046444   0.060906   0.025610
+    1SOL     H6    6  -0.096248   0.179561  -0.054137
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031349  -0.061559  -0.130885
+    0SOL     H2    2   0.060898  -0.046863  -0.151785
+    0SOL     H3    3  -0.045204  -0.154772  -0.147668
+    1SOL     O4    4   0.020538   0.065033   0.133056
+    1SOL     H5    5   0.068581   0.126392   0.077474
+    1SOL     H6    6   0.086563   0.030142   0.192936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102487   0.103800  -0.023715
+    0SOL     H2    2   0.171200   0.119620   0.041019
+    0SOL     H3    3   0.147964   0.063324  -0.097580
+    1SOL     O4    4  -0.106364  -0.108029   0.025568
+    1SOL     H5    5  -0.193054  -0.082139  -0.005685
+    1SOL     H6    6  -0.057081  -0.026103   0.030236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046038  -0.087858   0.107436
+    0SOL     H2    2   0.090883  -0.161097   0.149712
+    0SOL     H3    3  -0.013561  -0.054325   0.174413
+    1SOL     O4    4  -0.049297   0.094120  -0.116520
+    1SOL     H5    5   0.044902   0.109236  -0.108757
+    1SOL     H6    6  -0.063608   0.009533  -0.074063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.042505  -0.044083  -0.143124
+    0SOL     H2    2   0.008635  -0.007254  -0.061523
+    0SOL     H3    3   0.039589   0.028632  -0.205304
+    1SOL     O4    4  -0.035294   0.033173   0.144087
+    1SOL     H5    5  -0.125036   0.007269   0.123164
+    1SOL     H6    6  -0.033947   0.127950   0.130757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126005  -0.074693  -0.051402
+    0SOL     H2    2   0.086521   0.009256  -0.027826
+    0SOL     H3    3   0.167141  -0.058848  -0.136367
+    1SOL     O4    4  -0.123729   0.072260   0.049647
+    1SOL     H5    5  -0.101372  -0.013851   0.084965
+    1SOL     H6    6  -0.191373   0.105561   0.108619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078480  -0.107945   0.066394
+    0SOL     H2    2  -0.108630  -0.195223   0.091613
+    0SOL     H3    3  -0.068521  -0.061116   0.149281
+    1SOL     O4    4   0.084908   0.107358  -0.073316
+    1SOL     H5    5   0.063523   0.200341  -0.081015
+    1SOL     H6    6   0.003053   0.066111  -0.045734
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130330  -0.011719   0.076617
+    0SOL     H2    2  -0.104837   0.067462   0.123976
+    0SOL     H3    3  -0.210835   0.012548   0.030875
+    1SOL     O4    4   0.139860   0.006697  -0.079110
+    1SOL     H5    5   0.108082   0.005640   0.011175
+    1SOL     H6    6   0.060438   0.005444  -0.132523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137742   0.056043  -0.018915
+    0SOL     H2    2  -0.218906   0.041178   0.029601
+    0SOL     H3    3  -0.160925   0.121210  -0.085082
+    1SOL     O4    4   0.143561  -0.063011   0.024913
+    1SOL     H5    5   0.208104   0.001717  -0.003493
+    1SOL     H6    6   0.071137  -0.053425  -0.036936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015228   0.130605   0.076260
+    0SOL     H2    2  -0.079501   0.133103   0.062756
+    0SOL     H3    3   0.031902   0.198239   0.141910
+    1SOL     O4    4  -0.012754  -0.137563  -0.072994
+    1SOL     H5    5  -0.027482  -0.044941  -0.092140
+    1SOL     H6    6   0.026812  -0.172573  -0.152813
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009392  -0.141264   0.072044
+    0SOL     H2    2  -0.063550  -0.161222   0.130725
+    0SOL     H3    3  -0.028553  -0.084351   0.005086
+    1SOL     O4    4   0.000569   0.133117  -0.069863
+    1SOL     H5    5   0.012907   0.189201  -0.146444
+    1SOL     H6    6  -0.071371   0.173856  -0.021621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035851   0.109163  -0.105138
+    0SOL     H2    2  -0.034512   0.025355  -0.151363
+    0SOL     H3    3  -0.089565   0.166101  -0.160231
+    1SOL     O4    4   0.037962  -0.110393   0.104359
+    1SOL     H5    5   0.075368  -0.145521   0.185163
+    1SOL     H6    6   0.007674  -0.022739   0.128057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041302   0.161007   0.014780
+    0SOL     H2    2  -0.046720   0.090260  -0.049467
+    0SOL     H3    3   0.004071   0.122105   0.089548
+    1SOL     O4    4   0.041767  -0.149024  -0.012257
+    1SOL     H5    5  -0.049514  -0.163717  -0.037041
+    1SOL     H6    6   0.087059  -0.229010  -0.038961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.163372   0.004820  -0.023666
+    0SOL     H2    2   0.067721   0.007005  -0.020741
+    0SOL     H3    3   0.188579  -0.046128   0.053349
+    1SOL     O4    4  -0.153548  -0.001877   0.021732
+    1SOL     H5    5  -0.215600  -0.074729   0.023841
+    1SOL     H6    6  -0.198297   0.066320  -0.028359
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027718  -0.053691   0.148140
+    0SOL     H2    2  -0.009944  -0.128561   0.101897
+    0SOL     H3    3   0.118664  -0.078765   0.164341
+    1SOL     O4    4  -0.037334   0.060268  -0.147384
+    1SOL     H5    5   0.019426   0.094717  -0.078435
+    1SOL     H6    6   0.020412   0.006098  -0.201173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075040   0.002449   0.136815
+    0SOL     H2    2  -0.090822  -0.077175   0.187543
+    0SOL     H3    3  -0.062598   0.070790   0.202671
+    1SOL     O4    4   0.079864   0.003299  -0.143638
+    1SOL     H5    5   0.070034  -0.073304  -0.200187
+    1SOL     H6    6   0.010523  -0.006037  -0.078316
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000260  -0.145141   0.081112
+    0SOL     H2    2   0.020158  -0.131276   0.173709
+    0SOL     H3    3  -0.009811  -0.056960   0.045265
+    1SOL     O4    4  -0.005111   0.136692  -0.080020
+    1SOL     H5    5   0.076588   0.100962  -0.114820
+    1SOL     H6    6  -0.017614   0.218778  -0.127641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015243   0.015959  -0.166449
+    0SOL     H2    2   0.078454   0.087335  -0.157956
+    0SOL     H3    3   0.031702  -0.039845  -0.090441
+    1SOL     O4    4  -0.017120  -0.020207   0.157206
+    1SOL     H5    5  -0.031394  -0.043369   0.248978
+    1SOL     H6    6  -0.048479   0.069947   0.150052
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097577   0.101971  -0.074536
+    0SOL     H2    2  -0.190845   0.088166  -0.091053
+    0SOL     H3    3  -0.060349   0.120109  -0.160834
+    1SOL     O4    4   0.104017  -0.104791   0.075697
+    1SOL     H5    5   0.124991  -0.094100   0.168477
+    1SOL     H6    6   0.018132  -0.063749   0.065624
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104354  -0.115630   0.069936
+    0SOL     H2    2   0.015972  -0.137973   0.040751
+    0SOL     H3    3   0.099583  -0.022576   0.091856
+    1SOL     O4    4  -0.096180   0.107296  -0.070279
+    1SOL     H5    5  -0.188341   0.124335  -0.089730
+    1SOL     H6    6  -0.064016   0.189275  -0.032766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059113   0.128441  -0.092047
+    0SOL     H2    2   0.009905   0.164934  -0.165594
+    0SOL     H3    3   0.010344   0.049933  -0.067139
+    1SOL     O4    4  -0.047608  -0.123274   0.095361
+    1SOL     H5    5  -0.075720  -0.180360   0.023853
+    1SOL     H6    6  -0.124408  -0.116234   0.152058
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070273   0.142109   0.036535
+    0SOL     H2    2   0.009394   0.193841   0.024730
+    0SOL     H3    3  -0.118829   0.188105   0.105011
+    1SOL     O4    4   0.068150  -0.153212  -0.036683
+    1SOL     H5    5   0.111291  -0.072604  -0.008337
+    1SOL     H6    6   0.034167  -0.132879  -0.123827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.143570  -0.043988   0.080504
+    0SOL     H2    2  -0.048850  -0.048495   0.093546
+    0SOL     H3    3  -0.180677  -0.072741   0.163923
+    1SOL     O4    4   0.139977   0.050262  -0.080696
+    1SOL     H5    5   0.067334   0.002311  -0.120524
+    1SOL     H6    6   0.216494   0.025270  -0.132492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032529  -0.171805  -0.004751
+    0SOL     H2    2   0.022991  -0.076606  -0.001841
+    0SOL     H3    3   0.098756  -0.187240  -0.072116
+    1SOL     O4    4  -0.029557   0.165975   0.010803
+    1SOL     H5    5  -0.063306   0.145214  -0.076331
+    1SOL     H6    6  -0.101650   0.211575   0.054225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093445  -0.026998   0.137223
+    0SOL     H2    2  -0.165177  -0.023173   0.200486
+    0SOL     H3    3  -0.037420   0.047211   0.159950
+    1SOL     O4    4   0.099637   0.022811  -0.138771
+    1SOL     H5    5   0.011421   0.037555  -0.104668
+    1SOL     H6    6   0.086804   0.006271  -0.232173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084166  -0.146055  -0.016463
+    0SOL     H2    2   0.130590  -0.165537  -0.097873
+    0SOL     H3    3   0.152673  -0.117515   0.043990
+    1SOL     O4    4  -0.085662   0.150736   0.015724
+    1SOL     H5    5  -0.073905   0.056135   0.007086
+    1SOL     H6    6  -0.172548   0.160668   0.054641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038896  -0.141429  -0.101843
+    0SOL     H2    2   0.012683  -0.089222  -0.040391
+    0SOL     H3    3  -0.069523  -0.078410  -0.167057
+    1SOL     O4    4   0.041162   0.133884   0.095878
+    1SOL     H5    5  -0.051395   0.153734   0.110071
+    1SOL     H6    6   0.079369   0.133555   0.183641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069363  -0.163662   0.026229
+    0SOL     H2    2   0.056191  -0.074635   0.058833
+    0SOL     H3    3  -0.015774  -0.206040   0.037095
+    1SOL     O4    4  -0.060340   0.165794  -0.025955
+    1SOL     H5    5  -0.048248   0.073044  -0.046295
+    1SOL     H6    6  -0.151784   0.183482  -0.048032
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016693  -0.124171  -0.125112
+    0SOL     H2    2  -0.070282  -0.056823  -0.083222
+    0SOL     H3    3  -0.073426  -0.201181  -0.128717
+    1SOL     O4    4   0.017510   0.120330   0.121578
+    1SOL     H5    5   0.010744   0.215715   0.125860
+    1SOL     H6    6   0.108111   0.101573   0.146113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109309   0.132068  -0.008949
+    0SOL     H2    2   0.166678   0.174635   0.054764
+    0SOL     H3    3   0.067612   0.204392  -0.055778
+    1SOL     O4    4  -0.115385  -0.136562   0.009806
+    1SOL     H5    5  -0.029130  -0.106010   0.037894
+    1SOL     H6    6  -0.096904  -0.201907  -0.057654
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.029802  -0.158172   0.060084
+    0SOL     H2    2  -0.032455  -0.253801   0.056851
+    0SOL     H3    3  -0.098609  -0.134342   0.122212
+    1SOL     O4    4   0.039243   0.165590  -0.064571
+    1SOL     H5    5   0.030816   0.077993  -0.026912
+    1SOL     H6    6  -0.050526   0.191520  -0.085342
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.018536   0.011987   0.175470
+    0SOL     H2    2   0.025407  -0.078733   0.145722
+    0SOL     H3    3   0.093628   0.023930   0.233615
+    1SOL     O4    4  -0.028741  -0.007174  -0.174738
+    1SOL     H5    5  -0.005029  -0.057320  -0.252747
+    1SOL     H6    6   0.054727   0.024751  -0.140441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.146986  -0.020268   0.111593
+    0SOL     H2    2   0.139311   0.027115   0.028778
+    0SOL     H3    3   0.060545  -0.012265   0.151920
+    1SOL     O4    4  -0.141651   0.021343  -0.104520
+    1SOL     H5    5  -0.091566   0.019944  -0.186079
+    1SOL     H6    6  -0.195992  -0.057362  -0.108375
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076029   0.018397  -0.163347
+    0SOL     H2    2  -0.027097   0.100116  -0.153867
+    0SOL     H3    3  -0.011811  -0.044308  -0.196611
+    1SOL     O4    4   0.077135  -0.019467   0.163828
+    1SOL     H5    5   0.009997  -0.046300   0.101100
+    1SOL     H6    6   0.027921   0.012693   0.239366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.068642   0.173427  -0.011752
+    0SOL     H2    2  -0.108109   0.132784   0.065403
+    0SOL     H3    3  -0.094068   0.116605  -0.084464
+    1SOL     O4    4   0.074937  -0.164487   0.006164
+    1SOL     H5    5   0.063348  -0.259116   0.014729
+    1SOL     H6    6   0.040012  -0.128552   0.087719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.112795  -0.041268  -0.147873
+    0SOL     H2    2  -0.027742  -0.060280  -0.187456
+    0SOL     H3    3  -0.101699   0.044710  -0.107291
+    1SOL     O4    4   0.112597   0.041822   0.146415
+    1SOL     H5    5   0.075300   0.018830   0.231519
+    1SOL     H6    6   0.064947  -0.012698   0.083810
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028682   0.160896  -0.096813
+    0SOL     H2    2  -0.053591   0.153257  -0.004707
+    0SOL     H3    3  -0.087274   0.227891  -0.132042
+    1SOL     O4    4   0.027383  -0.167499   0.096412
+    1SOL     H5    5   0.087930  -0.113011   0.146685
+    1SOL     H6    6   0.056279  -0.158028   0.005651
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099111   0.152269  -0.039860
+    0SOL     H2    2  -0.102037   0.158229  -0.135349
+    0SOL     H3    3  -0.090870   0.242967  -0.010394
+    1SOL     O4    4   0.099895  -0.164172   0.040070
+    1SOL     H5    5   0.162136  -0.125497   0.101654
+    1SOL     H6    6   0.024935  -0.104656   0.041153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092717   0.153330   0.073154
+    0SOL     H2    2   0.171215   0.099685   0.084229
+    0SOL     H3    3   0.113423   0.211322  -0.000130
+    1SOL     O4    4  -0.098525  -0.147551  -0.073196
+    1SOL     H5    5  -0.138378  -0.231376  -0.096592
+    1SOL     H6    6  -0.055991  -0.163865   0.010988
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.147717  -0.041546  -0.136482
+    0SOL     H2    2  -0.168119  -0.134551  -0.146286
+    0SOL     H3    3  -0.057875  -0.040033  -0.103490
+    1SOL     O4    4   0.138135   0.044582   0.134991
+    1SOL     H5    5   0.183855   0.078532   0.058053
+    1SOL     H6    6   0.195132   0.066920   0.208575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.192376  -0.073442   0.000889
+    0SOL     H2    2   0.241981  -0.032416  -0.069952
+    0SOL     H3    3   0.166294  -0.000596   0.057241
+    1SOL     O4    4  -0.195207   0.065249  -0.005829
+    1SOL     H5    5  -0.189970   0.157313   0.019842
+    1SOL     H6    6  -0.170050   0.016921   0.072872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.143657  -0.006515  -0.163991
+    0SOL     H2    2  -0.090587  -0.032697  -0.088755
+    0SOL     H3    3  -0.098990   0.070454  -0.199246
+    1SOL     O4    4   0.141954   0.001921   0.166795
+    1SOL     H5    5   0.140807  -0.040941   0.081215
+    1SOL     H6    6   0.068701   0.063462   0.163796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.065936   0.137220  -0.146458
+    0SOL     H2    2  -0.131028   0.207353  -0.143885
+    0SOL     H3    3  -0.117160   0.056666  -0.139422
+    1SOL     O4    4   0.077078  -0.135916   0.140987
+    1SOL     H5    5   0.003745  -0.078536   0.163172
+    1SOL     H6    6   0.068879  -0.209761   0.201337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.187884  -0.093495   0.068262
+    0SOL     H2    2  -0.241621  -0.060833  -0.003903
+    0SOL     H3    3  -0.169910  -0.016152   0.121716
+    1SOL     O4    4   0.185078   0.089919  -0.071273
+    1SOL     H5    5   0.273991   0.122429  -0.057134
+    1SOL     H6    6   0.177978   0.013691  -0.013817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.201187  -0.073271   0.072281
+    0SOL     H2    2   0.126101  -0.111942   0.117324
+    0SOL     H3    3   0.186773   0.021164   0.078329
+    1SOL     O4    4  -0.202296   0.073685  -0.073370
+    1SOL     H5    5  -0.159089   0.005951  -0.021335
+    1SOL     H6    6  -0.147880   0.082169  -0.151659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123045   0.125388  -0.146673
+    0SOL     H2    2   0.039746   0.156957  -0.181701
+    0SOL     H3    3   0.113956   0.133941  -0.051770
+    1SOL     O4    4  -0.117588  -0.128519   0.150071
+    1SOL     H5    5  -0.053812  -0.164193   0.088246
+    1SOL     H6    6  -0.179904  -0.080712   0.095357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.169394   0.078735   0.136256
+    0SOL     H2    2  -0.203810  -0.002064   0.098186
+    0SOL     H3    3  -0.109973   0.049326   0.205296
+    1SOL     O4    4   0.167834  -0.078220  -0.136490
+    1SOL     H5    5   0.188676   0.000031  -0.085452
+    1SOL     H6    6   0.144097  -0.044829  -0.223000
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.149937  -0.170794  -0.056007
+    0SOL     H2    2  -0.153613  -0.141399   0.035013
+    0SOL     H3    3  -0.172356  -0.093109  -0.107239
+    1SOL     O4    4   0.146860   0.160096   0.054866
+    1SOL     H5    5   0.151621   0.222481  -0.017575
+    1SOL     H6    6   0.217211   0.186671   0.114086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.175251   0.113603  -0.101339
+    0SOL     H2    2  -0.150892   0.164883  -0.024272
+    0SOL     H3    3  -0.255747   0.154607  -0.132986
+    1SOL     O4    4   0.175530  -0.113081   0.097847
+    1SOL     H5    5   0.220086  -0.146461   0.175711
+    1SOL     H6    6   0.180737  -0.184769   0.034632
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046557  -0.183848  -0.142350
+    0SOL     H2    2   0.137320  -0.153845  -0.137421
+    0SOL     H3    3   0.049412  -0.274214  -0.110916
+    1SOL     O4    4  -0.047374   0.192319   0.138875
+    1SOL     H5    5  -0.107377   0.158966   0.072170
+    1SOL     H6    6  -0.076031   0.150433   0.220033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062217  -0.233350   0.012685
+    0SOL     H2    2   0.010803  -0.172719   0.000262
+    0SOL     H3    3  -0.021504  -0.313567   0.045398
+    1SOL     O4    4   0.058924   0.230225  -0.012190
+    1SOL     H5    5   0.049219   0.259820  -0.102701
+    1SOL     H6    6   0.007191   0.292357   0.039052
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.205531   0.137257   0.008920
+    0SOL     H2    2   0.187959   0.072830  -0.059656
+    0SOL     H3    3   0.195802   0.088501   0.090716
+    1SOL     O4    4  -0.202765  -0.127993  -0.002522
+    1SOL     H5    5  -0.136664  -0.149600  -0.068296
+    1SOL     H6    6  -0.286334  -0.144894  -0.046028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.246568   0.054781  -0.016383
+    0SOL     H2    2  -0.152826   0.035694  -0.013132
+    0SOL     H3    3  -0.273776   0.026626  -0.103729
+    1SOL     O4    4   0.246498  -0.053276   0.026903
+    1SOL     H5    5   0.263792   0.009074  -0.043636
+    1SOL     H6    6   0.167307  -0.099406  -0.000721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015162  -0.266162  -0.024965
+    0SOL     H2    2   0.037666  -0.175818  -0.002743
+    0SOL     H3    3  -0.036416  -0.297062   0.049515
+    1SOL     O4    4  -0.015177   0.262572   0.026417
+    1SOL     H5    5   0.073259   0.266216  -0.010026
+    1SOL     H6    6  -0.072753   0.265183  -0.050005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.095968   0.214877  -0.135894
+    0SOL     H2    2  -0.190841   0.202231  -0.137082
+    0SOL     H3    3  -0.063198   0.145327  -0.078875
+    1SOL     O4    4   0.101439  -0.206608   0.127577
+    1SOL     H5    5   0.147202  -0.281457   0.165861
+    1SOL     H6    6   0.021066  -0.198772   0.178970
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097046  -0.117102   0.247983
+    0SOL     H2    2   0.084403  -0.063654   0.169588
+    0SOL     H3    3   0.099258  -0.207132   0.215549
+    1SOL     O4    4  -0.092805   0.125005  -0.239749
+    1SOL     H5    5  -0.118055   0.054863  -0.179709
+    1SOL     H6    6  -0.126911   0.097254  -0.324773
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.282716   0.011302   0.050251
+    0SOL     H2    2   0.346344   0.040640  -0.014964
+    0SOL     H3    3   0.231110   0.089397   0.070257
+    1SOL     O4    4  -0.280663  -0.012040  -0.044648
+    1SOL     H5    5  -0.268080  -0.038445  -0.135790
+    1SOL     H6    6  -0.339259  -0.078430  -0.008300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065046  -0.225675  -0.157633
+    0SOL     H2    2   0.088603  -0.196795  -0.245800
+    0SOL     H3    3   0.042083  -0.318024  -0.167963
+    1SOL     O4    4  -0.067292   0.232390   0.167372
+    1SOL     H5    5   0.021714   0.224034   0.133161
+    1SOL     H6    6  -0.119369   0.172734   0.113601
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.275199  -0.032951   0.095254
+    0SOL     H2    2  -0.312316   0.051701   0.070378
+    0SOL     H3    3  -0.317627  -0.054266   0.178368
+    1SOL     O4    4   0.282000   0.030527  -0.104239
+    1SOL     H5    5   0.194536  -0.003750  -0.085872
+    1SOL     H6    6   0.320661   0.045157  -0.017904
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.022873  -0.260485   0.157876
+    0SOL     H2    2  -0.047197  -0.195766   0.149881
+    0SOL     H3    3   0.005418  -0.323511   0.087980
+    1SOL     O4    4  -0.024528   0.262470  -0.153357
+    1SOL     H5    5   0.004245   0.171335  -0.148001
+    1SOL     H6    6   0.055365   0.311808  -0.171936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.194399   0.199105   0.141108
+    0SOL     H2    2  -0.270429   0.147181   0.167293
+    0SOL     H3    3  -0.226376   0.254102   0.069588
+    1SOL     O4    4   0.200336  -0.199496  -0.144690
+    1SOL     H5    5   0.264143  -0.157342  -0.087123
+    1SOL     H6    6   0.135049  -0.236399  -0.085207
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006523   0.313551   0.097675
+    0SOL     H2    2   0.013247   0.311744   0.002208
+    0SOL     H3    3  -0.087583   0.315468   0.115073
+    1SOL     O4    4   0.003037  -0.308897  -0.091764
+    1SOL     H5    5  -0.076736  -0.331435  -0.043904
+    1SOL     H6    6   0.002144  -0.366360  -0.168311
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102954  -0.115220   0.304930
+    0SOL     H2    2   0.051745  -0.055691   0.359667
+    0SOL     H3    3   0.192364  -0.107516   0.338231
+    1SOL     O4    4  -0.103684   0.105789  -0.312339
+    1SOL     H5    5  -0.065963   0.148079  -0.235196
+    1SOL     H6    6  -0.170704   0.166935  -0.342865
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102056   0.156698  -0.341002
+    0SOL     H2    2   0.032050   0.184741  -0.399953
+    0SOL     H3    3   0.182486   0.187006  -0.383130
+    1SOL     O4    4  -0.106402  -0.165707   0.347674
+    1SOL     H5    5  -0.132656  -0.074140   0.338264
+    1SOL     H6    6  -0.010759  -0.163708   0.344398
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.260812  -0.200924  -0.266062
+    0SOL     H2    2  -0.266019  -0.105429  -0.262086
+    0SOL     H3    3  -0.272242  -0.229379  -0.175387
+    1SOL     O4    4   0.261887   0.197648   0.267530
+    1SOL     H5    5   0.220866   0.133075   0.209997
+    1SOL     H6    6   0.301324   0.261298   0.207900
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.312680  -0.305474  -0.185666
+    0SOL     H2    2  -0.257705  -0.245990  -0.134659
+    0SOL     H3    3  -0.357771  -0.248773  -0.248229
+    1SOL     O4    4   0.307679   0.300726   0.189720
+    1SOL     H5    5   0.394852   0.333936   0.168266
+    1SOL     H6    6   0.305922   0.212385   0.152908
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/570K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.383716  -0.453614  -0.039697
+    0SOL     H2    2   0.465528  -0.485515  -0.001599
+    0SOL     H3    3   0.389046  -0.358378  -0.031693
+    1SOL     O4    4  -0.384661   0.451169   0.032372
+    1SOL     H5    5  -0.365968   0.415474   0.119198
+    1SOL     H6    6  -0.480176   0.456092   0.028503
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052301  -0.107071  -0.012272
+    0SOL     H2    2   0.015200  -0.039575  -0.019372
+    0SOL     H3    3  -0.018658  -0.180199  -0.064067
+    1SOL     O4    4   0.052065   0.103761   0.016153
+    1SOL     H5    5   0.023623   0.153289  -0.060660
+    1SOL     H6    6  -0.016173   0.119425   0.081426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088200   0.009713   0.085958
+    0SOL     H2    2   0.049760   0.055778   0.160541
+    0SOL     H3    3   0.113193  -0.075835   0.120878
+    1SOL     O4    4  -0.090147  -0.005643  -0.098212
+    1SOL     H5    5  -0.009980   0.025825  -0.056436
+    1SOL     H6    6  -0.125715  -0.069744  -0.036662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093362   0.022884   0.092193
+    0SOL     H2    2   0.053921   0.017693   0.179255
+    0SOL     H3    3   0.019645   0.013537   0.031855
+    1SOL     O4    4  -0.084361  -0.026618  -0.089528
+    1SOL     H5    5  -0.077687  -0.026941  -0.185014
+    1SOL     H6    6  -0.131928   0.053887  -0.069067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089393  -0.082504   0.028359
+    0SOL     H2    2  -0.037731  -0.162281   0.017005
+    0SOL     H3    3  -0.139367  -0.097494   0.108610
+    1SOL     O4    4   0.092757   0.086838  -0.038227
+    1SOL     H5    5   0.098594   0.169944   0.008908
+    1SOL     H6    6   0.025992   0.037099   0.009005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089115   0.041366  -0.096160
+    0SOL     H2    2  -0.015347   0.032522  -0.035808
+    0SOL     H3    3  -0.072235  -0.023623  -0.164379
+    1SOL     O4    4   0.082108  -0.035526   0.091199
+    1SOL     H5    5   0.061449  -0.115429   0.139686
+    1SOL     H6    6   0.142135   0.012375   0.148335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083781   0.039424   0.100553
+    0SOL     H2    2  -0.052512   0.051600   0.190199
+    0SOL     H3    3  -0.005548   0.049329   0.046296
+    1SOL     O4    4   0.082042  -0.037146  -0.098226
+    1SOL     H5    5   0.003489  -0.085237  -0.072167
+    1SOL     H6    6   0.085980  -0.047341  -0.193320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.081988  -0.014074   0.099612
+    0SOL     H2    2   0.164651   0.030821   0.117320
+    0SOL     H3    3   0.041167  -0.024004   0.185620
+    1SOL     O4    4  -0.084324   0.008168  -0.111479
+    1SOL     H5    5  -0.133408   0.088889  -0.096079
+    1SOL     H6    6  -0.038165  -0.007923  -0.029182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067407  -0.099179  -0.078265
+    0SOL     H2    2  -0.043331  -0.120366   0.011922
+    0SOL     H3    3  -0.026433  -0.014252  -0.094723
+    1SOL     O4    4   0.060776   0.089307   0.074144
+    1SOL     H5    5   0.071115   0.155246   0.142755
+    1SOL     H6    6   0.097890   0.130071  -0.004107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.076872   0.080382  -0.089757
+    0SOL     H2    2   0.021148   0.054537  -0.016345
+    0SOL     H3    3   0.143576   0.011898  -0.094526
+    1SOL     O4    4  -0.077231  -0.079064   0.080198
+    1SOL     H5    5  -0.016797  -0.066711   0.153393
+    1SOL     H6    6  -0.144514  -0.012211   0.093084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019863   0.061487  -0.118360
+    0SOL     H2    2  -0.059988   0.024667  -0.156181
+    0SOL     H3    3   0.086345   0.049325  -0.186143
+    1SOL     O4    4  -0.015376  -0.060867   0.129079
+    1SOL     H5    5  -0.110889  -0.054977   0.126870
+    1SOL     H6    6   0.012627  -0.028939   0.043296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016085  -0.057510  -0.126736
+    0SOL     H2    2   0.045389  -0.147463  -0.112177
+    0SOL     H3    3   0.096661  -0.005845  -0.127491
+    1SOL     O4    4  -0.016338   0.058130   0.128703
+    1SOL     H5    5  -0.055867   0.020132   0.050243
+    1SOL     H6    6  -0.078688   0.125018   0.157000
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.084376   0.081030  -0.067739
+    0SOL     H2    2  -0.126936   0.164123  -0.046609
+    0SOL     H3    3  -0.086597   0.076556  -0.163329
+    1SOL     O4    4   0.090416  -0.086457   0.077860
+    1SOL     H5    5   0.038555  -0.009964   0.052926
+    1SOL     H6    6   0.084440  -0.145119   0.002459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103768  -0.061122   0.077431
+    0SOL     H2    2  -0.061500   0.009425   0.028452
+    0SOL     H3    3  -0.181687  -0.020583   0.115478
+    1SOL     O4    4   0.101547   0.055869  -0.072102
+    1SOL     H5    5   0.143734  -0.024945  -0.101284
+    1SOL     H6    6   0.135942   0.123375  -0.130602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065694  -0.064910   0.115766
+    0SOL     H2    2  -0.015201  -0.021186   0.089186
+    0SOL     H3    3   0.124378  -0.054398   0.040879
+    1SOL     O4    4  -0.063817   0.059554  -0.103812
+    1SOL     H5    5  -0.042828   0.018591  -0.187740
+    1SOL     H6    6  -0.102572   0.143871  -0.127286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097058  -0.056357   0.092411
+    0SOL     H2    2  -0.038825  -0.044968   0.017301
+    0SOL     H3    3  -0.164530  -0.116817   0.061516
+    1SOL     O4    4   0.094324   0.056243  -0.083465
+    1SOL     H5    5   0.102869   0.052933  -0.178746
+    1SOL     H6    6   0.157627   0.122573  -0.055983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056357   0.073778  -0.103479
+    0SOL     H2    2   0.109048   0.097600  -0.179757
+    0SOL     H3    3   0.095811   0.122241  -0.030974
+    1SOL     O4    4  -0.064945  -0.072237   0.106580
+    1SOL     H5    5  -0.031385  -0.078321   0.017143
+    1SOL     H6    6  -0.033285  -0.151696   0.149549
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101631   0.026221  -0.097891
+    0SOL     H2    2  -0.056966   0.020043  -0.182325
+    0SOL     H3    3  -0.092735   0.118138  -0.072703
+    1SOL     O4    4   0.095850  -0.028168   0.105440
+    1SOL     H5    5   0.064607  -0.094492   0.043899
+    1SOL     H6    6   0.187233  -0.013771   0.080859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086163   0.101567  -0.062233
+    0SOL     H2    2  -0.064185   0.049602   0.015090
+    0SOL     H3    3  -0.069543   0.192065  -0.035846
+    1SOL     O4    4   0.081067  -0.108142   0.052488
+    1SOL     H5    5   0.125865  -0.026246   0.031309
+    1SOL     H6    6   0.088993  -0.115940   0.147560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.114609  -0.011883   0.091144
+    0SOL     H2    2   0.149749  -0.095462   0.121838
+    0SOL     H3    3   0.051010  -0.035886   0.023755
+    1SOL     O4    4  -0.108138   0.017966  -0.085108
+    1SOL     H5    5  -0.170179  -0.049688  -0.112242
+    1SOL     H6    6  -0.135738   0.096310  -0.132677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034592   0.077649  -0.122280
+    0SOL     H2    2   0.017888   0.005082  -0.062136
+    0SOL     H3    3   0.121419   0.059504  -0.158253
+    1SOL     O4    4  -0.043639  -0.068902   0.116686
+    1SOL     H5    5  -0.024050  -0.162016   0.127100
+    1SOL     H6    6   0.018202  -0.024714   0.174870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123749   0.058175  -0.050455
+    0SOL     H2    2   0.102739   0.047908  -0.143275
+    0SOL     H3    3   0.082136   0.140658  -0.025411
+    1SOL     O4    4  -0.121275  -0.058465   0.048789
+    1SOL     H5    5  -0.184096  -0.117520   0.090362
+    1SOL     H6    6  -0.042435  -0.065548   0.102608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013472  -0.150171   0.026975
+    0SOL     H2    2   0.000693  -0.059058   0.053382
+    0SOL     H3    3   0.024433  -0.146308  -0.068037
+    1SOL     O4    4  -0.010274   0.141296  -0.028264
+    1SOL     H5    5  -0.096777   0.182219  -0.030470
+    1SOL     H6    6   0.020489   0.155019   0.061333
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123201   0.072524   0.024973
+    0SOL     H2    2   0.108367   0.167079   0.026241
+    0SOL     H3    3   0.187714   0.059282  -0.044490
+    1SOL     O4    4  -0.133047  -0.080045  -0.021043
+    1SOL     H5    5  -0.072618  -0.063514  -0.093413
+    1SOL     H6    6  -0.087681  -0.046442   0.056255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127217   0.031061  -0.061936
+    0SOL     H2    2  -0.221864   0.025741  -0.075203
+    0SOL     H3    3  -0.090154   0.022531  -0.149776
+    1SOL     O4    4   0.133710  -0.033903   0.071262
+    1SOL     H5    5   0.148611  -0.007106  -0.019415
+    1SOL     H6    6   0.051867   0.009200   0.095883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052266  -0.063354   0.129377
+    0SOL     H2    2  -0.000739  -0.057335   0.208854
+    0SOL     H3    3   0.004372  -0.011638   0.064616
+    1SOL     O4    4  -0.045603   0.056427  -0.124564
+    1SOL     H5    5   0.000280   0.031628  -0.204826
+    1SOL     H6    6  -0.090451   0.138017  -0.146789
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118975  -0.083855   0.018611
+    0SOL     H2    2   0.201886  -0.131049   0.026403
+    0SOL     H3    3   0.052404  -0.148061   0.043273
+    1SOL     O4    4  -0.121138   0.096211  -0.019746
+    1SOL     H5    5  -0.034082   0.058683  -0.032980
+    1SOL     H6    6  -0.179894   0.020657  -0.018426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110956  -0.063070  -0.069607
+    0SOL     H2    2  -0.200767  -0.065068  -0.102656
+    0SOL     H3    3  -0.069697  -0.140672  -0.107527
+    1SOL     O4    4   0.117477   0.072224   0.076434
+    1SOL     H5    5   0.147572   0.001197   0.019761
+    1SOL     H6    6   0.022815   0.059479   0.082671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064308  -0.135255  -0.010262
+    0SOL     H2    2   0.065306  -0.143499   0.085097
+    0SOL     H3    3   0.156346  -0.141340  -0.035841
+    1SOL     O4    4  -0.076585   0.134289   0.005085
+    1SOL     H5    5  -0.046451   0.220742   0.033015
+    1SOL     H6    6   0.003676   0.083316  -0.005975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002681   0.051780  -0.138996
+    0SOL     H2    2  -0.016280   0.038196  -0.232766
+    0SOL     H3    3   0.043430   0.135468  -0.133309
+    1SOL     O4    4  -0.002032  -0.061230   0.143186
+    1SOL     H5    5   0.059786  -0.035189   0.211470
+    1SOL     H6    6  -0.007343   0.014848   0.085339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058488   0.034308   0.135924
+    0SOL     H2    2  -0.121923  -0.037307   0.132808
+    0SOL     H3    3  -0.110673   0.113238   0.121463
+    1SOL     O4    4   0.062158  -0.035000  -0.139125
+    1SOL     H5    5   0.040352  -0.004554  -0.051035
+    1SOL     H6    6   0.154679  -0.058999  -0.134005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035527  -0.147546   0.050802
+    0SOL     H2    2  -0.025398  -0.096714   0.131275
+    0SOL     H3    3  -0.013904  -0.086063  -0.019302
+    1SOL     O4    4   0.035422   0.134930  -0.050050
+    1SOL     H5    5   0.042097   0.180991  -0.133693
+    1SOL     H6    6  -0.003782   0.198825   0.009471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051512   0.044195  -0.144930
+    0SOL     H2    2  -0.037580   0.130883  -0.106805
+    0SOL     H3    3  -0.010304  -0.016128  -0.083081
+    1SOL     O4    4   0.050052  -0.040397   0.134708
+    1SOL     H5    5  -0.021258  -0.042302   0.198532
+    1SOL     H6    6   0.093239  -0.125266   0.144435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076700   0.036192   0.128283
+    0SOL     H2    2   0.009842  -0.002900   0.140304
+    0SOL     H3    3  -0.134606  -0.016224   0.183617
+    1SOL     O4    4   0.082238  -0.031270  -0.130457
+    1SOL     H5    5   0.008711  -0.051364  -0.072557
+    1SOL     H6    6   0.041400  -0.006805  -0.213500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113247  -0.008841  -0.103839
+    0SOL     H2    2  -0.150801  -0.049298  -0.182039
+    0SOL     H3    3  -0.019103  -0.006363  -0.120955
+    1SOL     O4    4   0.104696   0.012041   0.114586
+    1SOL     H5    5   0.127006  -0.069577   0.069830
+    1SOL     H6    6   0.163001   0.077347   0.075883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.002628   0.136415   0.065056
+    0SOL     H2    2   0.071810   0.195307   0.034925
+    0SOL     H3    3  -0.077326   0.188811   0.060124
+    1SOL     O4    4   0.003466  -0.147046  -0.063904
+    1SOL     H5    5  -0.003251  -0.067395  -0.011245
+    1SOL     H6    6  -0.083996  -0.158738  -0.100998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.086397  -0.045015  -0.118716
+    0SOL     H2    2   0.174657  -0.067465  -0.148186
+    0SOL     H3    3   0.053428  -0.125299  -0.078345
+    1SOL     O4    4  -0.090504   0.048942   0.124744
+    1SOL     H5    5  -0.008006   0.070541   0.081271
+    1SOL     H6    6  -0.155433   0.049023   0.054412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124279   0.094578   0.041035
+    0SOL     H2    2   0.101034   0.173847  -0.007322
+    0SOL     H3    3   0.060912   0.029114   0.011687
+    1SOL     O4    4  -0.113326  -0.094132  -0.033671
+    1SOL     H5    5  -0.139905  -0.169730  -0.086025
+    1SOL     H6    6  -0.190860  -0.038046  -0.031418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.147711  -0.014876  -0.068472
+    0SOL     H2    2  -0.105133   0.061711  -0.106993
+    0SOL     H3    3  -0.111007  -0.020915   0.019725
+    1SOL     O4    4   0.139020   0.007246   0.065058
+    1SOL     H5    5   0.173550   0.043798   0.146507
+    1SOL     H6    6   0.191804   0.047805  -0.003726
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064018  -0.144796   0.023138
+    0SOL     H2    2   0.117753  -0.134667  -0.055425
+    0SOL     H3    3   0.127205  -0.151652   0.094712
+    1SOL     O4    4  -0.069134   0.146528  -0.029363
+    1SOL     H5    5  -0.029869   0.073467   0.018413
+    1SOL     H6    6  -0.124758   0.190240   0.035116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022839   0.096918  -0.129373
+    0SOL     H2    2   0.036423   0.134598  -0.064330
+    0SOL     H3    3  -0.024422   0.161060  -0.200406
+    1SOL     O4    4   0.020444  -0.102565   0.136468
+    1SOL     H5    5  -0.043529  -0.053116   0.085238
+    1SOL     H6    6   0.065970  -0.156826   0.072083
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109198  -0.017019   0.126491
+    0SOL     H2    2   0.082143  -0.042319   0.214753
+    0SOL     H3    3   0.070141   0.069361   0.113252
+    1SOL     O4    4  -0.113067   0.014613  -0.130601
+    1SOL     H5    5  -0.063920  -0.053265  -0.084345
+    1SOL     H6    6  -0.045877   0.070437  -0.169734
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126912   0.119605   0.011227
+    0SOL     H2    2  -0.062054   0.062593  -0.030070
+    0SOL     H3    3  -0.161726   0.067751   0.083764
+    1SOL     O4    4   0.119405  -0.115304  -0.015437
+    1SOL     H5    5   0.129204  -0.053827   0.057274
+    1SOL     H6    6   0.208966  -0.132688  -0.044402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.174219  -0.037478  -0.039299
+    0SOL     H2    2   0.234997  -0.111326  -0.043174
+    0SOL     H3    3   0.088881  -0.077483  -0.022586
+    1SOL     O4    4  -0.173721   0.040602   0.031862
+    1SOL     H5    5  -0.148895   0.123935   0.071882
+    1SOL     H6    6  -0.187024  -0.018566   0.105919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.030395   0.176299  -0.045473
+    0SOL     H2    2   0.123004   0.199560  -0.038773
+    0SOL     H3    3   0.014075   0.120593   0.030638
+    1SOL     O4    4  -0.039852  -0.171910   0.043677
+    1SOL     H5    5   0.034730  -0.219378   0.080374
+    1SOL     H6    6  -0.024166  -0.171869  -0.050749
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.160400   0.002402   0.098850
+    0SOL     H2    2  -0.148629  -0.008041   0.004432
+    0SOL     H3    3  -0.082953  -0.038593   0.137370
+    1SOL     O4    4   0.158730   0.005130  -0.098589
+    1SOL     H5    5   0.131829  -0.003733  -0.007156
+    1SOL     H6    6   0.125757  -0.074046  -0.141090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.157269   0.089011  -0.053458
+    0SOL     H2    2   0.080053   0.067369  -0.105723
+    0SOL     H3    3   0.124637   0.094700   0.036348
+    1SOL     O4    4  -0.151447  -0.089148   0.045379
+    1SOL     H5    5  -0.136950  -0.009236   0.096037
+    1SOL     H6    6  -0.176174  -0.154732   0.110568
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057724  -0.149538   0.098213
+    0SOL     H2    2  -0.051446  -0.084819   0.027968
+    0SOL     H3    3   0.029792  -0.187971   0.103327
+    1SOL     O4    4   0.052665   0.141264  -0.095304
+    1SOL     H5    5   0.065677   0.206553  -0.164082
+    1SOL     H6    6   0.033020   0.192569  -0.016919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078929  -0.113474   0.118782
+    0SOL     H2    2   0.168762  -0.120880   0.150991
+    0SOL     H3    3   0.075996  -0.171083   0.042396
+    1SOL     O4    4  -0.079552   0.116132  -0.121524
+    1SOL     H5    5  -0.084298   0.064746  -0.040906
+    1SOL     H6    6  -0.149636   0.180762  -0.112949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.043251   0.139496   0.116011
+    0SOL     H2    2   0.052323   0.096927   0.030760
+    0SOL     H3    3   0.089679   0.222646   0.106378
+    1SOL     O4    4  -0.045722  -0.147486  -0.107023
+    1SOL     H5    5  -0.125027  -0.093890  -0.106309
+    1SOL     H6    6   0.015907  -0.098432  -0.161409
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.123607  -0.074195   0.120577
+    0SOL     H2    2   0.080349  -0.055173   0.037335
+    0SOL     H3    3   0.197769  -0.129892   0.096906
+    1SOL     O4    4  -0.123790   0.071631  -0.110483
+    1SOL     H5    5  -0.156250   0.160349  -0.095062
+    1SOL     H6    6  -0.118624   0.064192  -0.205774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.141630   0.131130  -0.014212
+    0SOL     H2    2   0.125343   0.123488  -0.108226
+    0SOL     H3    3   0.075320   0.192858   0.016692
+    1SOL     O4    4  -0.141556  -0.133103   0.022437
+    1SOL     H5    5  -0.051694  -0.162594   0.037183
+    1SOL     H6    6  -0.148715  -0.124558  -0.072631
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.051750   0.177889  -0.080185
+    0SOL     H2    2   0.028762   0.164735   0.011798
+    0SOL     H3    3   0.024574   0.267699  -0.099108
+    1SOL     O4    4  -0.054022  -0.179546   0.073825
+    1SOL     H5    5  -0.047573  -0.263777   0.118835
+    1SOL     H6    6   0.036714  -0.154957   0.055804
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125583  -0.134564  -0.085870
+    0SOL     H2    2   0.117738  -0.091488  -0.170989
+    0SOL     H3    3   0.217414  -0.122966  -0.061477
+    1SOL     O4    4  -0.132439   0.138942   0.087535
+    1SOL     H5    5  -0.123211   0.101658   0.175211
+    1SOL     H6    6  -0.118751   0.064917   0.028414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062815  -0.026890   0.195238
+    0SOL     H2    2  -0.105112   0.030512   0.259099
+    0SOL     H3    3  -0.034369   0.031902   0.125262
+    1SOL     O4    4   0.064284   0.027068  -0.194559
+    1SOL     H5    5   0.073111  -0.035684  -0.122819
+    1SOL     H6    6   0.049413  -0.027058  -0.272094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.142643  -0.124360  -0.075761
+    0SOL     H2    2  -0.107161  -0.206230  -0.110410
+    0SOL     H3    3  -0.234843  -0.125384  -0.101459
+    1SOL     O4    4   0.145319   0.125651   0.084833
+    1SOL     H5    5   0.094984   0.113970   0.004259
+    1SOL     H6    6   0.202342   0.200407   0.066883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.011137  -0.181377  -0.094935
+    0SOL     H2    2   0.045443  -0.148436  -0.164763
+    0SOL     H3    3  -0.039408  -0.267536  -0.125591
+    1SOL     O4    4   0.012674   0.179127   0.101351
+    1SOL     H5    5   0.006598   0.259950   0.152274
+    1SOL     H6    6  -0.043336   0.194440   0.025255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021467  -0.199056   0.086594
+    0SOL     H2    2   0.074636  -0.182184   0.008808
+    0SOL     H3    3  -0.053724  -0.140537   0.077423
+    1SOL     O4    4  -0.022576   0.191296  -0.076754
+    1SOL     H5    5   0.029236   0.154902  -0.148541
+    1SOL     H6    6  -0.027411   0.284989  -0.095743
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.156880  -0.105603  -0.084850
+    0SOL     H2    2  -0.204748  -0.164833  -0.142839
+    0SOL     H3    3  -0.153083  -0.151852  -0.001130
+    1SOL     O4    4   0.165720   0.115067   0.083292
+    1SOL     H5    5   0.149456   0.021737   0.069602
+    1SOL     H6    6   0.078520   0.153650   0.091648
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050280  -0.170668  -0.123951
+    0SOL     H2    2   0.015758  -0.187316  -0.036239
+    0SOL     H3    3   0.116496  -0.238553  -0.136963
+    1SOL     O4    4  -0.055639   0.178902   0.115637
+    1SOL     H5    5  -0.084201   0.102277   0.165388
+    1SOL     H6    6   0.036285   0.190287   0.139774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.036722   0.063914   0.211412
+    0SOL     H2    2  -0.019121  -0.020935   0.252072
+    0SOL     H3    3   0.006945   0.059287   0.126358
+    1SOL     O4    4   0.032757  -0.065957  -0.208335
+    1SOL     H5    5   0.082550  -0.010240  -0.148514
+    1SOL     H6    6  -0.014819  -0.004583  -0.264300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.163984  -0.146068  -0.043270
+    0SOL     H2    2   0.136121  -0.228474  -0.003330
+    0SOL     H3    3   0.100938  -0.131011  -0.113703
+    1SOL     O4    4  -0.159456   0.143687   0.043232
+    1SOL     H5    5  -0.190687   0.182720   0.124861
+    1SOL     H6    6  -0.119866   0.216538  -0.004598
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.227478   0.021192  -0.046117
+    0SOL     H2    2   0.140084  -0.010904  -0.068352
+    0SOL     H3    3   0.227156   0.027474   0.049396
+    1SOL     O4    4  -0.224293  -0.023013   0.036328
+    1SOL     H5    5  -0.231338   0.070168   0.057062
+    1SOL     H6    6  -0.196281  -0.063782   0.118276
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.219197   0.024101  -0.054436
+    0SOL     H2    2   0.310397  -0.004500  -0.049240
+    0SOL     H3    3   0.183313  -0.023598  -0.129265
+    1SOL     O4    4  -0.217848  -0.015401   0.057620
+    1SOL     H5    5  -0.262654  -0.049436   0.135055
+    1SOL     H6    6  -0.249583  -0.069921  -0.014372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.214734  -0.008773  -0.084054
+    0SOL     H2    2  -0.188236   0.073400  -0.042729
+    0SOL     H3    3  -0.287842   0.015436  -0.140900
+    1SOL     O4    4   0.222437   0.005425   0.088873
+    1SOL     H5    5   0.154810   0.053591   0.041239
+    1SOL     H6    6   0.204251  -0.086607   0.069858
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.240363  -0.015209   0.030982
+    0SOL     H2    2   0.195406  -0.005287  -0.052939
+    0SOL     H3    3   0.257565  -0.109106   0.038038
+    1SOL     O4    4  -0.243481   0.020493  -0.023463
+    1SOL     H5    5  -0.185723   0.093297  -0.046395
+    1SOL     H6    6  -0.200237  -0.056802  -0.059764
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.232582  -0.083115  -0.019058
+    0SOL     H2    2   0.232042  -0.024558  -0.094775
+    0SOL     H3    3   0.140188  -0.094205   0.003363
+    1SOL     O4    4  -0.222727   0.083184   0.025736
+    1SOL     H5    5  -0.252646   0.105600  -0.062381
+    1SOL     H6    6  -0.273292   0.005364   0.049177
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088410  -0.156894   0.174236
+    0SOL     H2    2  -0.001099  -0.136608   0.207814
+    0SOL     H3    3  -0.109848  -0.083194   0.117044
+    1SOL     O4    4   0.085568   0.153078  -0.167444
+    1SOL     H5    5   0.110858   0.197661  -0.248284
+    1SOL     H6    6   0.038932   0.074806  -0.196785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.133785   0.037739   0.209063
+    0SOL     H2    2   0.104679   0.048497   0.118512
+    0SOL     H3    3   0.059657  -0.003564   0.253352
+    1SOL     O4    4  -0.122694  -0.031086  -0.207061
+    1SOL     H5    5  -0.109418  -0.125818  -0.210509
+    1SOL     H6    6  -0.216508  -0.020560  -0.191234
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.125408   0.123078   0.167019
+    0SOL     H2    2  -0.136707   0.059472   0.237651
+    0SOL     H3    3  -0.076549   0.194988   0.207069
+    1SOL     O4    4   0.125381  -0.126307  -0.178303
+    1SOL     H5    5   0.173036  -0.099382  -0.099777
+    1SOL     H6    6   0.033948  -0.105340  -0.159258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.114503   0.157436  -0.158556
+    0SOL     H2    2   0.028043   0.188426  -0.185513
+    0SOL     H3    3   0.096630   0.093127  -0.089947
+    1SOL     O4    4  -0.109691  -0.151171   0.150770
+    1SOL     H5    5  -0.090147  -0.244727   0.145523
+    1SOL     H6    6  -0.110376  -0.132020   0.244552
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006506  -0.084935  -0.231975
+    0SOL     H2    2   0.099138  -0.066528  -0.247559
+    0SOL     H3    3  -0.039933  -0.027892  -0.293228
+    1SOL     O4    4  -0.015334   0.083349   0.236558
+    1SOL     H5    5   0.061850   0.123517   0.276451
+    1SOL     H6    6   0.018696   0.006862   0.190148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104134  -0.068680  -0.214914
+    0SOL     H2    2   0.064209  -0.155676  -0.215169
+    0SOL     H3    3   0.133520  -0.055496  -0.305052
+    1SOL     O4    4  -0.105556   0.077751   0.220940
+    1SOL     H5    5  -0.082200   0.001406   0.273744
+    1SOL     H6    6  -0.092856   0.049158   0.130478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.048320   0.075664  -0.258639
+    0SOL     H2    2  -0.136352   0.061529  -0.223813
+    0SOL     H3    3  -0.006203   0.133206  -0.194784
+    1SOL     O4    4   0.052335  -0.073056   0.248730
+    1SOL     H5    5   0.075306  -0.165457   0.238898
+    1SOL     H6    6   0.007962  -0.068236   0.333406
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.150622  -0.113809   0.185834
+    0SOL     H2    2   0.194206  -0.052334   0.244856
+    0SOL     H3    3   0.117421  -0.182797   0.243284
+    1SOL     O4    4  -0.153938   0.116002  -0.187230
+    1SOL     H5    5  -0.188476   0.092646  -0.273391
+    1SOL     H6    6  -0.059057   0.107060  -0.196178
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.097210  -0.237881  -0.121356
+    0SOL     H2    2   0.157255  -0.258954  -0.192860
+    0SOL     H3    3   0.131375  -0.156388  -0.084558
+    1SOL     O4    4  -0.101947   0.230055   0.127649
+    1SOL     H5    5  -0.174285   0.253337   0.069446
+    1SOL     H6    6  -0.032102   0.291409   0.104853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032313   0.073457   0.276700
+    0SOL     H2    2   0.035027   0.065456   0.181354
+    0SOL     H3    3  -0.060392   0.085747   0.297122
+    1SOL     O4    4  -0.031764  -0.073728  -0.276699
+    1SOL     H5    5   0.038627  -0.009347  -0.268798
+    1SOL     H6    6  -0.015748  -0.135659  -0.205493
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.013076   0.163496   0.250579
+    0SOL     H2    2   0.034995   0.071996   0.232983
+    0SOL     H3    3  -0.027767   0.194370   0.169703
+    1SOL     O4    4  -0.011286  -0.165598  -0.249454
+    1SOL     H5    5  -0.065587  -0.086916  -0.254241
+    1SOL     H6    6   0.035782  -0.157264  -0.166524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.158617  -0.112353   0.238871
+    0SOL     H2    2  -0.186043  -0.082295   0.325512
+    0SOL     H3    3  -0.239117  -0.112961   0.187086
+    1SOL     O4    4   0.162243   0.110908  -0.246326
+    1SOL     H5    5   0.118788   0.137724  -0.165363
+    1SOL     H6    6   0.248600   0.080582  -0.218304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.168474   0.278322  -0.046101
+    0SOL     H2    2  -0.100787   0.265619   0.020378
+    0SOL     H3    3  -0.181768   0.373070  -0.049015
+    1SOL     O4    4   0.164215  -0.289585   0.045229
+    1SOL     H5    5   0.188758  -0.276560  -0.046370
+    1SOL     H6    6   0.154306  -0.201051   0.080241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.210122  -0.163660  -0.208599
+    0SOL     H2    2   0.305044  -0.175492  -0.205116
+    0SOL     H3    3   0.185067  -0.195991  -0.295139
+    1SOL     O4    4  -0.213527   0.160656   0.208639
+    1SOL     H5    5  -0.139805   0.204064   0.251572
+    1SOL     H6    6  -0.290647   0.208280   0.239407
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139782   0.207147  -0.246161
+    0SOL     H2    2   0.077372   0.138364  -0.269321
+    0SOL     H3    3   0.206488   0.203093  -0.314690
+    1SOL     O4    4  -0.135203  -0.205248   0.254475
+    1SOL     H5    5  -0.208075  -0.157597   0.294243
+    1SOL     H6    6  -0.158621  -0.212020   0.161912
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.153385  -0.320279   0.078251
+    0SOL     H2    2   0.097586  -0.398049   0.079020
+    0SOL     H3    3   0.124051  -0.270449   0.001969
+    1SOL     O4    4  -0.153970   0.321025  -0.076031
+    1SOL     H5    5  -0.103847   0.255696  -0.027224
+    1SOL     H6    6  -0.096024   0.397062  -0.080830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043587  -0.324754   0.151349
+    0SOL     H2    2   0.000153  -0.409151   0.162582
+    0SOL     H3    3  -0.039868  -0.308144   0.057154
+    1SOL     O4    4   0.038603   0.326345  -0.152546
+    1SOL     H5    5   0.088758   0.272753  -0.091108
+    1SOL     H6    6   0.029028   0.410773  -0.108473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090734   0.101591  -0.359065
+    0SOL     H2    2   0.144418   0.032871  -0.319594
+    0SOL     H3    3   0.153043   0.170563  -0.381928
+    1SOL     O4    4  -0.099938  -0.106412   0.354951
+    1SOL     H5    5  -0.006548  -0.101021   0.375241
+    1SOL     H6    6  -0.137829  -0.028372   0.395402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.275583  -0.219970   0.153515
+    0SOL     H2    2   0.240685  -0.225440   0.242478
+    0SOL     H3    3   0.282647  -0.311029   0.124866
+    1SOL     O4    4  -0.276636   0.221895  -0.161473
+    1SOL     H5    5  -0.184659   0.247838  -0.156053
+    1SOL     H6    6  -0.317237   0.261145  -0.084186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120416   0.172255  -0.342506
+    0SOL     H2    2  -0.097194   0.232750  -0.412957
+    0SOL     H3    3  -0.180903   0.110183  -0.383136
+    1SOL     O4    4   0.126214  -0.175463   0.354188
+    1SOL     H5    5   0.066534  -0.101406   0.364965
+    1SOL     H6    6   0.125266  -0.193569   0.260201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.311920   0.199335   0.200119
+    0SOL     H2    2   0.217977   0.182712   0.207910
+    0SOL     H3    3   0.348623   0.169030   0.283166
+    1SOL     O4    4  -0.309599  -0.192743  -0.200477
+    1SOL     H5    5  -0.337993  -0.284088  -0.196991
+    1SOL     H6    6  -0.267241  -0.184020  -0.285870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.323315   0.044691  -0.394516
+    0SOL     H2    2  -0.348111   0.032739  -0.302839
+    0SOL     H3    3  -0.346486  -0.038084  -0.436631
+    1SOL     O4    4   0.330922  -0.040463   0.387518
+    1SOL     H5    5   0.337782   0.022177   0.459570
+    1SOL     H6    6   0.241435  -0.073950   0.393269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.396774  -0.083025   0.351726
+    0SOL     H2    2  -0.312903  -0.063326   0.393439
+    0SOL     H3    3  -0.462348  -0.059264   0.417283
+    1SOL     O4    4   0.389849   0.079049  -0.359141
+    1SOL     H5    5   0.423763   0.074662  -0.269738
+    1SOL     H6    6   0.462467   0.114191  -0.410657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/580K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.284543   0.254441   0.514215
+    0SOL     H2    2  -0.315640   0.307333   0.587685
+    0SOL     H3    3  -0.231784   0.314754   0.461859
+    1SOL     O4    4   0.281896  -0.255617  -0.515751
+    1SOL     H5    5   0.287223  -0.309531  -0.436838
+    1SOL     H6    6   0.305368  -0.315029  -0.587036
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039774   0.058474   0.116378
+    0SOL     H2    2  -0.012712  -0.004728   0.165500
+    0SOL     H3    3   0.039872   0.025031   0.026690
+    1SOL     O4    4  -0.033226  -0.051127  -0.109061
+    1SOL     H5    5  -0.044959  -0.140644  -0.140861
+    1SOL     H6    6  -0.085358   0.002568  -0.168738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065282   0.040414   0.108377
+    0SOL     H2    2   0.153279   0.038270   0.070769
+    0SOL     H3    3   0.065950  -0.028367   0.174942
+    1SOL     O4    4  -0.070328  -0.036804  -0.116953
+    1SOL     H5    5   0.005639  -0.020710  -0.060985
+    1SOL     H6    6  -0.143300  -0.047363  -0.055914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073377  -0.092062  -0.059914
+    0SOL     H2    2  -0.082900  -0.127581   0.028460
+    0SOL     H3    3  -0.158792  -0.106127  -0.100764
+    1SOL     O4    4   0.077531   0.093326   0.062965
+    1SOL     H5    5   0.028601   0.070447  -0.016060
+    1SOL     H6    6   0.150643   0.146430   0.031391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003288   0.098947   0.084461
+    0SOL     H2    2   0.069767   0.120406   0.142468
+    0SOL     H3    3  -0.052113   0.180848   0.076052
+    1SOL     O4    4   0.000141  -0.105624  -0.093434
+    1SOL     H5    5  -0.006421  -0.165071  -0.018698
+    1SOL     H6    6   0.039082  -0.025960  -0.057384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057434   0.085424  -0.093216
+    0SOL     H2    2  -0.042533   0.002674  -0.047470
+    0SOL     H3    3  -0.141118   0.073314  -0.138080
+    1SOL     O4    4   0.057159  -0.074372   0.095102
+    1SOL     H5    5   0.142450  -0.097059   0.132157
+    1SOL     H6    6   0.043965  -0.137805   0.024642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092019   0.072689   0.082578
+    0SOL     H2    2  -0.017907   0.059998   0.023344
+    0SOL     H3    3  -0.153635   0.003290   0.059135
+    1SOL     O4    4   0.088287  -0.062536  -0.076722
+    1SOL     H5    5   0.090718  -0.118687  -0.154204
+    1SOL     H6    6   0.145288  -0.106355  -0.013531
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.117618  -0.078443  -0.016677
+    0SOL     H2    2  -0.094281   0.008805   0.015033
+    0SOL     H3    3  -0.075625  -0.084829  -0.102456
+    1SOL     O4    4   0.111392   0.069876   0.024400
+    1SOL     H5    5   0.140399   0.161072   0.026461
+    1SOL     H6    6   0.127058   0.041742  -0.065741
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003624  -0.069627   0.115032
+    0SOL     H2    2   0.042281  -0.147920   0.084613
+    0SOL     H3    3  -0.089606  -0.101407   0.142592
+    1SOL     O4    4   0.002705   0.077462  -0.121464
+    1SOL     H5    5  -0.020640   0.011799  -0.055845
+    1SOL     H6    6   0.075035   0.126173  -0.081995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.077063  -0.078467  -0.085443
+    0SOL     H2    2   0.138086  -0.149246  -0.064731
+    0SOL     H3    3   0.000285  -0.096316  -0.031139
+    1SOL     O4    4  -0.070035   0.080230   0.079912
+    1SOL     H5    5  -0.133293   0.112706   0.015833
+    1SOL     H6    6  -0.109823   0.099508   0.164809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130652  -0.039959  -0.046188
+    0SOL     H2    2  -0.038468  -0.016412  -0.035701
+    0SOL     H3    3  -0.138720  -0.125088  -0.003174
+    1SOL     O4    4   0.121212   0.043334   0.039391
+    1SOL     H5    5   0.189093  -0.023882   0.045427
+    1SOL     H6    6   0.144636   0.107212   0.106720
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140288   0.002804   0.004748
+    0SOL     H2    2  -0.119475  -0.017916   0.095852
+    0SOL     H3    3  -0.166437   0.094868   0.006446
+    1SOL     O4    4   0.142254  -0.013218  -0.009524
+    1SOL     H5    5   0.062989   0.014675  -0.055365
+    1SOL     H6    6   0.185279   0.068429   0.015871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056405  -0.020937  -0.126064
+    0SOL     H2    2   0.027710  -0.010004  -0.170420
+    0SOL     H3    3  -0.101110   0.062796  -0.138415
+    1SOL     O4    4   0.059863   0.012637   0.128820
+    1SOL     H5    5  -0.013625   0.016025   0.067580
+    1SOL     H6    6   0.032531   0.067717   0.202178
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034467   0.035592  -0.125939
+    0SOL     H2    2   0.041272   0.037846  -0.184426
+    0SOL     H3    3  -0.109288   0.053595  -0.182859
+    1SOL     O4    4   0.032751  -0.035607   0.138169
+    1SOL     H5    5   0.121942  -0.063223   0.117083
+    1SOL     H6    6  -0.011920  -0.032116   0.053584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058777  -0.101281  -0.085864
+    0SOL     H2    2   0.033363  -0.067445  -0.000007
+    0SOL     H3    3  -0.013703  -0.158252  -0.111621
+    1SOL     O4    4  -0.060247   0.103259   0.080703
+    1SOL     H5    5  -0.024741   0.062297   0.159594
+    1SOL     H6    6   0.016881   0.131225   0.031393
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124504   0.050102   0.062165
+    0SOL     H2    2  -0.034519   0.063331   0.032329
+    0SOL     H3    3  -0.120841  -0.029771   0.114789
+    1SOL     O4    4   0.111366  -0.046923  -0.059772
+    1SOL     H5    5   0.152367   0.037032  -0.080580
+    1SOL     H6    6   0.170132  -0.112350  -0.097563
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104951  -0.078087  -0.056639
+    0SOL     H2    2  -0.118542  -0.115547   0.030392
+    0SOL     H3    3  -0.170022  -0.008185  -0.063107
+    1SOL     O4    4   0.111213   0.079938   0.058245
+    1SOL     H5    5   0.054613   0.002987   0.052124
+    1SOL     H6    6   0.135906   0.098830  -0.032285
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099571  -0.030524   0.090723
+    0SOL     H2    2  -0.183669   0.004971   0.119530
+    0SOL     H3    3  -0.097683  -0.119458   0.126072
+    1SOL     O4    4   0.108323   0.028386  -0.095433
+    1SOL     H5    5   0.053383   0.049539  -0.019959
+    1SOL     H6    6   0.093657   0.100421  -0.156736
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014285  -0.070389  -0.133470
+    0SOL     H2    2  -0.108185  -0.080702  -0.118013
+    0SOL     H3    3   0.014980  -0.010780  -0.064531
+    1SOL     O4    4   0.019452   0.062518   0.123196
+    1SOL     H5    5   0.003125   0.046756   0.216187
+    1SOL     H6    6   0.014894   0.157668   0.113821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017422  -0.037566  -0.134159
+    0SOL     H2    2   0.040308  -0.122857  -0.171090
+    0SOL     H3    3   0.023926   0.023062  -0.207945
+    1SOL     O4    4  -0.021491   0.045419   0.141330
+    1SOL     H5    5   0.029291   0.006866   0.069936
+    1SOL     H6    6  -0.032534  -0.025928   0.204179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043243  -0.138419   0.044945
+    0SOL     H2    2   0.015416  -0.082756  -0.006271
+    0SOL     H3    3  -0.124853  -0.139696  -0.005060
+    1SOL     O4    4   0.047259   0.130954  -0.034245
+    1SOL     H5    5  -0.029977   0.119875  -0.089690
+    1SOL     H6    6   0.082864   0.216159  -0.059439
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007897   0.111860  -0.105145
+    0SOL     H2    2  -0.010543   0.021050  -0.074996
+    0SOL     H3    3  -0.088756   0.150629  -0.071663
+    1SOL     O4    4   0.007085  -0.109848   0.100134
+    1SOL     H5    5   0.087951  -0.157375   0.081047
+    1SOL     H6    6   0.034616  -0.037046   0.155850
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.040401   0.001301  -0.152955
+    0SOL     H2    2   0.063353  -0.082358  -0.112499
+    0SOL     H3    3   0.011413   0.056082  -0.080010
+    1SOL     O4    4  -0.043392  -0.002972   0.141378
+    1SOL     H5    5  -0.054356   0.090147   0.160637
+    1SOL     H6    6   0.025762  -0.031818   0.200943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.097632  -0.102731   0.059020
+    0SOL     H2    2  -0.066272  -0.045114  -0.010687
+    0SOL     H3    3  -0.152635  -0.166948   0.014151
+    1SOL     O4    4   0.093999   0.101626  -0.048641
+    1SOL     H5    5   0.126197   0.043627  -0.117647
+    1SOL     H6    6   0.144138   0.182391  -0.059839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006922   0.150096   0.001079
+    0SOL     H2    2   0.073016   0.208990   0.037485
+    0SOL     H3    3   0.039722   0.128195  -0.086138
+    1SOL     O4    4  -0.018922  -0.153548   0.000305
+    1SOL     H5    5   0.052114  -0.213722   0.022562
+    1SOL     H6    6   0.018014  -0.066429   0.014742
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.025085   0.152905   0.022110
+    0SOL     H2    2   0.055196   0.200367   0.043666
+    0SOL     H3    3   0.005127   0.067733  -0.009440
+    1SOL     O4    4   0.012967  -0.152392  -0.020283
+    1SOL     H5    5   0.088687  -0.141396   0.037230
+    1SOL     H6    6   0.046886  -0.135313  -0.108147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.159889   0.006992  -0.011753
+    0SOL     H2    2  -0.125730  -0.081683  -0.000254
+    0SOL     H3    3  -0.082653   0.060154  -0.031005
+    1SOL     O4    4   0.152703  -0.001054   0.008016
+    1SOL     H5    5   0.144116  -0.096323   0.004520
+    1SOL     H6    6   0.187897   0.016685   0.095246
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106115  -0.024467   0.114769
+    0SOL     H2    2   0.033113  -0.070737   0.073632
+    0SOL     H3    3   0.183507  -0.054633   0.067200
+    1SOL     O4    4  -0.110000   0.023783  -0.107070
+    1SOL     H5    5  -0.057962   0.028988  -0.187241
+    1SOL     H6    6  -0.101868   0.110562  -0.067504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.131759   0.074481   0.036009
+    0SOL     H2    2  -0.038295   0.094557   0.040889
+    0SOL     H3    3  -0.167203   0.104744   0.119616
+    1SOL     O4    4   0.130984  -0.072757  -0.044992
+    1SOL     H5    5   0.038507  -0.097462  -0.044775
+    1SOL     H6    6   0.172663  -0.135265   0.014319
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.094534  -0.053683  -0.107958
+    0SOL     H2    2   0.079173   0.033575  -0.144185
+    0SOL     H3    3   0.065385  -0.113653  -0.176633
+    1SOL     O4    4  -0.090908   0.054810   0.109279
+    1SOL     H5    5  -0.033741  -0.010763   0.149209
+    1SOL     H6    6  -0.164684   0.062374   0.169796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.017041  -0.070810  -0.131961
+    0SOL     H2    2  -0.048411  -0.044034  -0.196470
+    0SOL     H3    3   0.100876  -0.059707  -0.176803
+    1SOL     O4    4  -0.022253   0.065471   0.142628
+    1SOL     H5    5   0.024023   0.147749   0.158476
+    1SOL     H6    6   0.005680   0.038705   0.055075
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115028  -0.097315  -0.023058
+    0SOL     H2    2  -0.196309  -0.047046  -0.028402
+    0SOL     H3    3  -0.129832  -0.159364   0.048308
+    1SOL     O4    4   0.123656   0.103607   0.019445
+    1SOL     H5    5   0.142508   0.025439  -0.032486
+    1SOL     H6    6   0.047817   0.079396   0.072592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073743  -0.065822  -0.113602
+    0SOL     H2    2   0.154517  -0.017462  -0.096306
+    0SOL     H3    3   0.099264  -0.133545  -0.176248
+    1SOL     O4    4  -0.081683   0.062397   0.121342
+    1SOL     H5    5  -0.082258   0.052886   0.026098
+    1SOL     H6    6  -0.058019   0.153952   0.136175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006328  -0.025422   0.157626
+    0SOL     H2    2  -0.022603  -0.026350   0.063304
+    0SOL     H3    3  -0.093045  -0.015196   0.196843
+    1SOL     O4    4   0.006691   0.028143  -0.153434
+    1SOL     H5    5   0.029074  -0.029900  -0.226183
+    1SOL     H6    6   0.084994   0.028918  -0.098385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.032868   0.149462  -0.028466
+    0SOL     H2    2   0.074241   0.167400   0.055966
+    0SOL     H3    3  -0.048016   0.200625  -0.026908
+    1SOL     O4    4  -0.024493  -0.153243   0.025214
+    1SOL     H5    5  -0.098283  -0.151954   0.086171
+    1SOL     H6    6  -0.064677  -0.145141  -0.061285
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065759   0.132704   0.078932
+    0SOL     H2    2  -0.024081   0.117011   0.049866
+    0SOL     H3    3   0.104180   0.045350   0.086374
+    1SOL     O4    4  -0.056791  -0.131122  -0.076027
+    1SOL     H5    5  -0.147085  -0.151993  -0.052074
+    1SOL     H6    6  -0.063094  -0.048219  -0.123457
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131156  -0.065622   0.056139
+    0SOL     H2    2   0.209425  -0.051339   0.109358
+    0SOL     H3    3   0.082749  -0.133954   0.102506
+    1SOL     O4    4  -0.132686   0.075062  -0.063329
+    1SOL     H5    5  -0.056003   0.022344  -0.040906
+    1SOL     H6    6  -0.206370   0.014341  -0.056550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013837   0.039571  -0.162072
+    0SOL     H2    2  -0.034233   0.122410  -0.118665
+    0SOL     H3    3   0.054936   0.000519  -0.108150
+    1SOL     O4    4   0.014766  -0.043145   0.162135
+    1SOL     H5    5  -0.002326  -0.106137   0.092119
+    1SOL     H6    6  -0.030934   0.036327   0.134600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057234   0.147442  -0.005192
+    0SOL     H2    2  -0.122887   0.171777  -0.070459
+    0SOL     H3    3  -0.035821   0.229560   0.039084
+    1SOL     O4    4   0.064441  -0.153279   0.006442
+    1SOL     H5    5   0.005489  -0.228329   0.013830
+    1SOL     H6    6   0.006431  -0.078531  -0.008047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046250   0.151235   0.065007
+    0SOL     H2    2  -0.116406   0.207332   0.031936
+    0SOL     H3    3  -0.013423   0.105649  -0.012496
+    1SOL     O4    4   0.052629  -0.147087  -0.060226
+    1SOL     H5    5   0.081308  -0.236737  -0.042823
+    1SOL     H6    6  -0.042834  -0.150855  -0.054315
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004539   0.099515   0.140508
+    0SOL     H2    2   0.023641   0.069831   0.053980
+    0SOL     H3    3  -0.029492   0.191011   0.127541
+    1SOL     O4    4   0.002539  -0.098094  -0.140928
+    1SOL     H5    5  -0.056873  -0.141162  -0.079465
+    1SOL     H6    6   0.089682  -0.128128  -0.115112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096610  -0.027017  -0.140452
+    0SOL     H2    2  -0.167917  -0.089696  -0.128246
+    0SOL     H3    3  -0.105151   0.033668  -0.066922
+    1SOL     O4    4   0.094835   0.028335   0.133161
+    1SOL     H5    5   0.123975  -0.047694   0.183487
+    1SOL     H6    6   0.173895   0.080964   0.121244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101827  -0.074168  -0.122179
+    0SOL     H2    2  -0.044946  -0.000213  -0.100789
+    0SOL     H3    3  -0.063073  -0.112242  -0.200988
+    1SOL     O4    4   0.095886   0.076853   0.120734
+    1SOL     H5    5   0.079567   0.092236   0.213790
+    1SOL     H6    6   0.120507  -0.015506   0.115634
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093631   0.097746   0.106421
+    0SOL     H2    2  -0.117569   0.083559   0.198007
+    0SOL     H3    3  -0.163371   0.055216   0.056523
+    1SOL     O4    4   0.098332  -0.100259  -0.113047
+    1SOL     H5    5   0.051808  -0.087164  -0.030425
+    1SOL     H6    6   0.154078  -0.022931  -0.121715
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.003374  -0.141942  -0.095207
+    0SOL     H2    2   0.086533  -0.174784  -0.094460
+    0SOL     H3    3  -0.026340  -0.136976  -0.187998
+    1SOL     O4    4  -0.000205   0.140287   0.094918
+    1SOL     H5    5   0.050450   0.215766   0.124909
+    1SOL     H6    6  -0.059345   0.120670   0.167581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028600   0.180490   0.001579
+    0SOL     H2    2   0.046037   0.164104  -0.056068
+    0SOL     H3    3  -0.034951   0.101723   0.055594
+    1SOL     O4    4   0.020912  -0.171107   0.003595
+    1SOL     H5    5   0.106536  -0.152635  -0.035002
+    1SOL     H6    6  -0.007357  -0.252312  -0.038464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057389  -0.164162  -0.024419
+    0SOL     H2    2   0.125050  -0.114709   0.021828
+    0SOL     H3    3   0.067989  -0.254102   0.006575
+    1SOL     O4    4  -0.066888   0.171495   0.020835
+    1SOL     H5    5  -0.001161   0.136190   0.080800
+    1SOL     H6    6  -0.050484   0.126415  -0.061996
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.113063   0.149699   0.003829
+    0SOL     H2    2  -0.059817   0.070173   0.002161
+    0SOL     H3    3  -0.073307   0.206585  -0.062094
+    1SOL     O4    4   0.107046  -0.143104  -0.003732
+    1SOL     H5    5   0.089600  -0.147511   0.090282
+    1SOL     H6    6   0.135080  -0.231589  -0.027112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.164352   0.060149   0.036894
+    0SOL     H2    2   0.184239   0.024672   0.123544
+    0SOL     H3    3   0.246594   0.099375   0.007569
+    1SOL     O4    4  -0.174495  -0.058533  -0.035788
+    1SOL     H5    5  -0.168967  -0.016031  -0.121376
+    1SOL     H6    6  -0.109503  -0.128703  -0.039595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.163774  -0.080226   0.014228
+    0SOL     H2    2   0.181250   0.007866   0.047345
+    0SOL     H3    3   0.245850  -0.107058  -0.027075
+    1SOL     O4    4  -0.165470   0.070879  -0.011741
+    1SOL     H5    5  -0.255936   0.092370   0.010982
+    1SOL     H6    6  -0.136757   0.143450  -0.067160
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.151518   0.121894  -0.004145
+    0SOL     H2    2   0.144625   0.165403   0.080836
+    0SOL     H3    3   0.098476   0.042746   0.005044
+    1SOL     O4    4  -0.147297  -0.118031  -0.007405
+    1SOL     H5    5  -0.227836  -0.131886   0.042433
+    1SOL     H6    6  -0.077077  -0.139363   0.054049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148765  -0.114546   0.015545
+    0SOL     H2    2   0.078288  -0.136277   0.076562
+    0SOL     H3    3   0.213416  -0.184059   0.027816
+    1SOL     O4    4  -0.146794   0.125978  -0.016787
+    1SOL     H5    5  -0.151730   0.103547  -0.109711
+    1SOL     H6    6  -0.164031   0.043564   0.028744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.183450   0.018113   0.027829
+    0SOL     H2    2  -0.237946  -0.015126  -0.043499
+    0SOL     H3    3  -0.232971  -0.001992   0.107238
+    1SOL     O4    4   0.192292  -0.019147  -0.023719
+    1SOL     H5    5   0.225377   0.039164  -0.092039
+    1SOL     H6    6   0.097214  -0.017394  -0.034642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069646  -0.089735   0.158996
+    0SOL     H2    2   0.155619  -0.051715   0.177037
+    0SOL     H3    3   0.048236  -0.059810   0.070631
+    1SOL     O4    4  -0.073161   0.079601  -0.154925
+    1SOL     H5    5  -0.004145   0.142802  -0.134809
+    1SOL     H6    6  -0.149968   0.133315  -0.174365
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.163713   0.022765   0.111506
+    0SOL     H2    2   0.151526   0.041935   0.204492
+    0SOL     H3    3   0.105289  -0.051096   0.094372
+    1SOL     O4    4  -0.159008  -0.021536  -0.122022
+    1SOL     H5    5  -0.153628   0.065933  -0.083520
+    1SOL     H6    6  -0.179736  -0.078972  -0.048308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.161010  -0.042580  -0.138904
+    0SOL     H2    2  -0.085425  -0.084718  -0.179814
+    0SOL     H3    3  -0.139873  -0.040769  -0.045565
+    1SOL     O4    4   0.156579   0.048888   0.140539
+    1SOL     H5    5   0.165995   0.065814   0.046799
+    1SOL     H6    6   0.132530  -0.043605   0.145928
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054897  -0.081567  -0.183978
+    0SOL     H2    2   0.009805  -0.101906  -0.251523
+    0SOL     H3    3  -0.126157  -0.143544  -0.199568
+    1SOL     O4    4   0.052612   0.092912   0.188904
+    1SOL     H5    5   0.019550   0.015389   0.143524
+    1SOL     H6    6   0.126720   0.060848   0.240307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.172498   0.135731   0.014929
+    0SOL     H2    2   0.083215   0.163050  -0.006152
+    0SOL     H3    3   0.197819   0.078504  -0.057503
+    1SOL     O4    4  -0.168355  -0.127240  -0.009680
+    1SOL     H5    5  -0.099078  -0.192426   0.000982
+    1SOL     H6    6  -0.248321  -0.178741  -0.020425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059910  -0.116036   0.165776
+    0SOL     H2    2  -0.030929  -0.150873   0.250089
+    0SOL     H3    3  -0.125577  -0.178628   0.135240
+    1SOL     O4    4   0.065923   0.121367  -0.163994
+    1SOL     H5    5  -0.021380   0.082202  -0.166584
+    1SOL     H6    6   0.076693   0.161709  -0.250127
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.189159  -0.036390  -0.107346
+    0SOL     H2    2  -0.256921  -0.049277  -0.040979
+    0SOL     H3    3  -0.135819   0.035538  -0.073530
+    1SOL     O4    4   0.186179   0.035696   0.096914
+    1SOL     H5    5   0.156148   0.012593   0.184816
+    1SOL     H6    6   0.279307   0.013568   0.096782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.056441   0.026458  -0.205208
+    0SOL     H2    2  -0.017245   0.034926  -0.292124
+    0SOL     H3    3  -0.113559   0.102839  -0.197095
+    1SOL     O4    4   0.064093  -0.034711   0.211226
+    1SOL     H5    5   0.041799   0.056876   0.194576
+    1SOL     H6    6  -0.019764  -0.080764   0.208154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.148355  -0.129322  -0.107315
+    0SOL     H2    2  -0.230965  -0.115004  -0.061132
+    0SOL     H3    3  -0.081026  -0.117303  -0.040347
+    1SOL     O4    4   0.151588   0.126613   0.094519
+    1SOL     H5    5   0.102459   0.203213   0.124202
+    1SOL     H6    6   0.155027   0.069184   0.171019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118796  -0.017345   0.194093
+    0SOL     H2    2  -0.026479  -0.002169   0.214332
+    0SOL     H3    3  -0.125143  -0.003985   0.099522
+    1SOL     O4    4   0.118354   0.021889  -0.191692
+    1SOL     H5    5   0.025092   0.010476  -0.209979
+    1SOL     H6    6   0.146431  -0.062599  -0.156539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104041   0.174076   0.112909
+    0SOL     H2    2   0.046355   0.104543   0.144530
+    0SOL     H3    3   0.066254   0.200285   0.028959
+    1SOL     O4    4  -0.097001  -0.171782  -0.115997
+    1SOL     H5    5  -0.043517  -0.178783  -0.036922
+    1SOL     H6    6  -0.186759  -0.164060  -0.083654
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077216  -0.205556  -0.079258
+    0SOL     H2    2  -0.136932  -0.143785  -0.037060
+    0SOL     H3    3   0.008572  -0.185304  -0.041939
+    1SOL     O4    4   0.079453   0.199755   0.079109
+    1SOL     H5    5   0.024227   0.275578   0.060050
+    1SOL     H6    6   0.059110   0.137170   0.009599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028385  -0.036489  -0.223890
+    0SOL     H2    2  -0.050841   0.017031  -0.219294
+    0SOL     H3    3  -0.003750  -0.126402  -0.230624
+    1SOL     O4    4  -0.022968   0.035020   0.229597
+    1SOL     H5    5   0.054997   0.089474   0.218706
+    1SOL     H6    6  -0.069525   0.042839   0.146329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146736   0.082927   0.148944
+    0SOL     H2    2  -0.240688   0.098140   0.159137
+    0SOL     H3    3  -0.105530   0.149522   0.203986
+    1SOL     O4    4   0.156048  -0.089051  -0.150736
+    1SOL     H5    5   0.125759  -0.095447  -0.241312
+    1SOL     H6    6   0.078459  -0.062636  -0.101294
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146600   0.086115  -0.167893
+    0SOL     H2    2  -0.143714   0.155009  -0.101502
+    0SOL     H3    3  -0.085378   0.019695  -0.136229
+    1SOL     O4    4   0.148087  -0.085565   0.168418
+    1SOL     H5    5   0.137990  -0.151229   0.099507
+    1SOL     H6    6   0.078004  -0.022490   0.151919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077953  -0.143933  -0.176914
+    0SOL     H2    2  -0.102544  -0.053334  -0.195609
+    0SOL     H3    3  -0.063580  -0.145863  -0.082299
+    1SOL     O4    4   0.081815   0.144255   0.169818
+    1SOL     H5    5   0.046775   0.067306   0.124947
+    1SOL     H6    6   0.060526   0.130021   0.262048
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.168772   0.048863   0.157328
+    0SOL     H2    2  -0.139113   0.112732   0.222162
+    0SOL     H3    3  -0.135253  -0.034962   0.189142
+    1SOL     O4    4   0.168496  -0.045845  -0.156526
+    1SOL     H5    5   0.175987  -0.132007  -0.197541
+    1SOL     H6    6   0.111684   0.003884  -0.215362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.109833   0.171978   0.119035
+    0SOL     H2    2  -0.181684   0.147856   0.060572
+    0SOL     H3    3  -0.134421   0.258005   0.153050
+    1SOL     O4    4   0.112897  -0.180734  -0.119754
+    1SOL     H5    5   0.064022  -0.098462  -0.121964
+    1SOL     H6    6   0.197766  -0.157231  -0.082243
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.181324   0.059154  -0.146616
+    0SOL     H2    2   0.191837   0.074623  -0.240491
+    0SOL     H3    3   0.173876   0.146666  -0.108558
+    1SOL     O4    4  -0.175785  -0.062901   0.150762
+    1SOL     H5    5  -0.214326  -0.104741   0.073779
+    1SOL     H6    6  -0.245497  -0.064436   0.216338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.236077   0.062043   0.015271
+    0SOL     H2    2   0.150955   0.099951  -0.006628
+    0SOL     H3    3   0.289295   0.136751   0.042636
+    1SOL     O4    4  -0.236142  -0.074872  -0.011944
+    1SOL     H5    5  -0.224946  -0.061596  -0.106076
+    1SOL     H6    6  -0.217120   0.010576   0.026774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042044   0.136971   0.198977
+    0SOL     H2    2  -0.077259   0.206945   0.253985
+    0SOL     H3    3  -0.018971   0.180338   0.116823
+    1SOL     O4    4   0.047620  -0.137459  -0.197827
+    1SOL     H5    5   0.048950  -0.228724  -0.168996
+    1SOL     H6    6  -0.042643  -0.122489  -0.225949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.223652  -0.064893  -0.098279
+    0SOL     H2    2  -0.269732  -0.090454  -0.018369
+    0SOL     H3    3  -0.218061   0.030532  -0.093277
+    1SOL     O4    4   0.225893   0.057350   0.088367
+    1SOL     H5    5   0.166127   0.043789   0.161895
+    1SOL     H6    6   0.280861   0.130914   0.115373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.011747   0.071020   0.245358
+    0SOL     H2    2  -0.068573   0.033405   0.281361
+    0SOL     H3    3   0.064705  -0.004753   0.220533
+    1SOL     O4    4  -0.003772  -0.064139  -0.245143
+    1SOL     H5    5  -0.060179  -0.134912  -0.213972
+    1SOL     H6    6  -0.062981  -0.004899  -0.291481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.092419   0.162754   0.179355
+    0SOL     H2    2  -0.133712   0.086159   0.219236
+    0SOL     H3    3  -0.133008   0.169633   0.092940
+    1SOL     O4    4   0.099396  -0.155126  -0.172673
+    1SOL     H5    5   0.084030  -0.249588  -0.174473
+    1SOL     H6    6   0.064564  -0.123553  -0.256053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080809  -0.127298   0.222837
+    0SOL     H2    2  -0.010275  -0.155588   0.230935
+    0SOL     H3    3   0.101414  -0.088141   0.307716
+    1SOL     O4    4  -0.079722   0.120549  -0.227752
+    1SOL     H5    5  -0.098392   0.205780  -0.188389
+    1SOL     H6    6  -0.003551   0.136077  -0.283602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.092096   0.152237  -0.272040
+    0SOL     H2    2   0.061388   0.105289  -0.194482
+    0SOL     H3    3   0.168847   0.200825  -0.241859
+    1SOL     O4    4  -0.091231  -0.154802   0.260936
+    1SOL     H5    5  -0.135448  -0.070516   0.271091
+    1SOL     H6    6  -0.105539  -0.199607   0.344303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.173048   0.207313  -0.184822
+    0SOL     H2    2   0.205447   0.195080  -0.095586
+    0SOL     H3    3   0.080488   0.229155  -0.173965
+    1SOL     O4    4  -0.173799  -0.203644   0.181931
+    1SOL     H5    5  -0.185970  -0.296319   0.161305
+    1SOL     H6    6  -0.087897  -0.182061   0.145636
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079268  -0.248028  -0.196020
+    0SOL     H2    2   0.162473  -0.290381  -0.174918
+    0SOL     H3    3   0.054985  -0.201586  -0.115921
+    1SOL     O4    4  -0.083927   0.243655   0.196099
+    1SOL     H5    5  -0.021858   0.228305   0.124866
+    1SOL     H6    6  -0.126601   0.326265   0.173363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.095693   0.001143   0.329266
+    0SOL     H2    2   0.086841   0.038708   0.241671
+    0SOL     H3    3   0.190028  -0.000056   0.345443
+    1SOL     O4    4  -0.102526  -0.008839  -0.328057
+    1SOL     H5    5  -0.117176   0.082976  -0.350809
+    1SOL     H6    6  -0.042165  -0.005833  -0.253829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.154656   0.071815   0.306796
+    0SOL     H2    2  -0.190330  -0.013937   0.283641
+    0SOL     H3    3  -0.129354   0.110688   0.223064
+    1SOL     O4    4   0.149997  -0.065425  -0.303517
+    1SOL     H5    5   0.216569  -0.043326  -0.238385
+    1SOL     H6    6   0.173269  -0.153580  -0.332662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.339519  -0.096285   0.018886
+    0SOL     H2    2   0.307346  -0.010756   0.047380
+    0SOL     H3    3   0.343522  -0.148361   0.099100
+    1SOL     O4    4  -0.340068   0.087634  -0.021950
+    1SOL     H5    5  -0.393444   0.160273  -0.054153
+    1SOL     H6    6  -0.250326   0.120834  -0.024475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072864   0.297776   0.196293
+    0SOL     H2    2   0.125468   0.250735   0.260963
+    0SOL     H3    3   0.000468   0.238382   0.176456
+    1SOL     O4    4  -0.068561  -0.286675  -0.198700
+    1SOL     H5    5  -0.129194  -0.317945  -0.131557
+    1SOL     H6    6  -0.075136  -0.351340  -0.268967
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.130475   0.251989  -0.231691
+    0SOL     H2    2   0.133247   0.296048  -0.146760
+    0SOL     H3    3   0.142467   0.159295  -0.211044
+    1SOL     O4    4  -0.135050  -0.252824   0.221783
+    1SOL     H5    5  -0.154419  -0.209224   0.304766
+    1SOL     H6    6  -0.045903  -0.225269   0.200431
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116177  -0.343850  -0.143795
+    0SOL     H2    2  -0.189116  -0.385803  -0.098163
+    0SOL     H3    3  -0.139865  -0.348652  -0.236413
+    1SOL     O4    4   0.123353   0.342468   0.141689
+    1SOL     H5    5   0.063595   0.317543   0.212187
+    1SOL     H6    6   0.142353   0.434875   0.157880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.383618  -0.052962  -0.063403
+    0SOL     H2    2  -0.346880  -0.062801  -0.151243
+    0SOL     H3    3  -0.478376  -0.056350  -0.076503
+    1SOL     O4    4   0.384534   0.048910   0.073637
+    1SOL     H5    5   0.444845   0.120346   0.094177
+    1SOL     H6    6   0.365957   0.059271  -0.019690
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.145783  -0.033978  -0.366893
+    0SOL     H2    2   0.074785  -0.085431  -0.328499
+    0SOL     H3    3   0.152665  -0.065956  -0.456851
+    1SOL     O4    4  -0.139367   0.045383   0.370680
+    1SOL     H5    5  -0.164423  -0.017767   0.438108
+    1SOL     H6    6  -0.156413   0.000250   0.288008
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.357306  -0.192695  -0.156463
+    0SOL     H2    2  -0.343905  -0.175739  -0.063215
+    0SOL     H3    3  -0.452226  -0.188772  -0.168170
+    1SOL     O4    4   0.362458   0.198932   0.153081
+    1SOL     H5    5   0.286362   0.146400   0.177823
+    1SOL     H6    6   0.426619   0.135070   0.121979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/590K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.107591  -0.495564  -0.192710
+    0SOL     H2    2   0.156777  -0.413554  -0.188543
+    0SOL     H3    3   0.106313  -0.527394  -0.102446
+    1SOL     O4    4  -0.105521   0.496753   0.187117
+    1SOL     H5    5  -0.194460   0.511415   0.219325
+    1SOL     H6    6  -0.106516   0.406981   0.153915
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009943   0.100222  -0.066842
+    0SOL     H2    2   0.019134   0.035899  -0.137130
+    0SOL     H3    3  -0.057834   0.160234  -0.097942
+    1SOL     O4    4  -0.008966  -0.103269   0.078616
+    1SOL     H5    5  -0.028250  -0.012234   0.056185
+    1SOL     H6    6   0.036961  -0.137653   0.001995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.016650   0.033961  -0.127955
+    0SOL     H2    2   0.046071  -0.021914  -0.173849
+    0SOL     H3    3  -0.023925  -0.004750  -0.040715
+    1SOL     O4    4   0.013886  -0.029386   0.119500
+    1SOL     H5    5  -0.064136  -0.018235   0.173819
+    1SOL     H6    6   0.086463  -0.031420   0.181876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130431  -0.028863  -0.018913
+    0SOL     H2    2  -0.148737   0.007101  -0.105710
+    0SOL     H3    3  -0.036450  -0.015423  -0.006699
+    1SOL     O4    4   0.120170   0.026302   0.022013
+    1SOL     H5    5   0.172509   0.106272   0.016755
+    1SOL     H6    6   0.184558  -0.043994   0.030673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.062114  -0.112786   0.024359
+    0SOL     H2    2   0.036580  -0.163139  -0.052939
+    0SOL     H3    3   0.153893  -0.090290   0.009104
+    1SOL     O4    4  -0.071829   0.116179  -0.019068
+    1SOL     H5    5  -0.027362   0.044701   0.026495
+    1SOL     H6    6  -0.004836   0.153466  -0.076373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057099   0.013062   0.121285
+    0SOL     H2    2  -0.148332   0.012622   0.092325
+    0SOL     H3    3  -0.052909  -0.055019   0.188440
+    1SOL     O4    4   0.068348  -0.008993  -0.124720
+    1SOL     H5    5  -0.005765   0.013518  -0.180960
+    1SOL     H6    6   0.028292  -0.040001  -0.043501
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118867  -0.064262   0.022281
+    0SOL     H2    2  -0.185759  -0.017287   0.072092
+    0SOL     H3    3  -0.076731  -0.121318   0.086557
+    1SOL     O4    4   0.126029   0.063113  -0.031893
+    1SOL     H5    5   0.047628   0.010791  -0.015219
+    1SOL     H6    6   0.108107   0.147249   0.010086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020835  -0.136562  -0.007550
+    0SOL     H2    2   0.031598  -0.067213  -0.072645
+    0SOL     H3    3   0.049470  -0.216166  -0.052333
+    1SOL     O4    4  -0.017904   0.132513   0.012578
+    1SOL     H5    5  -0.021135   0.198612   0.081735
+    1SOL     H6    6  -0.102254   0.140277  -0.032000
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112140  -0.092792   0.021112
+    0SOL     H2    2   0.084856  -0.168238  -0.031098
+    0SOL     H3    3   0.041191  -0.029406   0.010590
+    1SOL     O4    4  -0.100093   0.091902  -0.017575
+    1SOL     H5    5  -0.158649   0.101487   0.057536
+    1SOL     H6    6  -0.153890   0.115587  -0.093121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002351   0.143194  -0.006284
+    0SOL     H2    2  -0.017347   0.111890   0.082921
+    0SOL     H3    3   0.081500   0.189144  -0.001814
+    1SOL     O4    4  -0.005291  -0.147612   0.005979
+    1SOL     H5    5  -0.032446  -0.071579  -0.045440
+    1SOL     H6    6   0.083146  -0.167176  -0.024981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082796  -0.116216   0.023862
+    0SOL     H2    2   0.003286  -0.118378  -0.017943
+    0SOL     H3    3  -0.142921  -0.148345  -0.043333
+    1SOL     O4    4   0.085817   0.119069  -0.023101
+    1SOL     H5    5   0.099797   0.142992   0.068521
+    1SOL     H6    6  -0.001060   0.078906  -0.024430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.148436   0.003317   0.012244
+    0SOL     H2    2  -0.193580   0.073205  -0.035085
+    0SOL     H3    3  -0.057461   0.009494  -0.016872
+    1SOL     O4    4   0.143397  -0.006147  -0.012853
+    1SOL     H5    5   0.117336   0.016582   0.076403
+    1SOL     H6    6   0.222153  -0.059460  -0.002019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.042425  -0.032918  -0.142309
+    0SOL     H2    2  -0.032666  -0.014144  -0.048957
+    0SOL     H3    3   0.045020  -0.019328  -0.178791
+    1SOL     O4    4   0.029947   0.030855   0.137925
+    1SOL     H5    5   0.092477   0.087858   0.093170
+    1SOL     H6    6   0.083602  -0.021731   0.197240
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000394  -0.015363   0.150776
+    0SOL     H2    2   0.049122  -0.014779   0.068389
+    0SOL     H3    3  -0.053018  -0.094680   0.146505
+    1SOL     O4    4   0.003095   0.024404  -0.141195
+    1SOL     H5    5  -0.086971  -0.007899  -0.143830
+    1SOL     H6    6   0.045506  -0.016583  -0.216585
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071917  -0.114847   0.055147
+    0SOL     H2    2   0.121697  -0.039724   0.087407
+    0SOL     H3    3   0.103296  -0.188656   0.107395
+    1SOL     O4    4  -0.078228   0.118974  -0.055499
+    1SOL     H5    5  -0.094308   0.024614  -0.055518
+    1SOL     H6    6  -0.035100   0.135986  -0.139241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009546   0.007232  -0.154091
+    0SOL     H2    2  -0.020820   0.096800  -0.168851
+    0SOL     H3    3   0.020831   0.001042  -0.059240
+    1SOL     O4    4  -0.008136  -0.014963   0.144873
+    1SOL     H5    5  -0.086269  -0.011483   0.200058
+    1SOL     H6    6   0.053407   0.045331   0.186579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124465   0.061187  -0.074608
+    0SOL     H2    2  -0.056718   0.128256  -0.065983
+    0SOL     H3    3  -0.075990  -0.020715  -0.084831
+    1SOL     O4    4   0.122577  -0.062698   0.072824
+    1SOL     H5    5   0.105530   0.031412   0.076715
+    1SOL     H6    6   0.041563  -0.103068   0.103959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.052324   0.140203  -0.017585
+    0SOL     H2    2  -0.090956   0.062960   0.023687
+    0SOL     H3    3  -0.127391   0.193677  -0.043429
+    1SOL     O4    4   0.057420  -0.133357   0.018415
+    1SOL     H5    5   0.109786  -0.198407   0.065199
+    1SOL     H6    6   0.033005  -0.176564  -0.063435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085439  -0.121361  -0.038444
+    0SOL     H2    2   0.163717  -0.085605   0.003466
+    0SOL     H3    3   0.038392  -0.165497   0.032273
+    1SOL     O4    4  -0.088386   0.127604   0.035592
+    1SOL     H5    5  -0.056352   0.042507   0.065504
+    1SOL     H6    6  -0.097077   0.117990  -0.059246
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.129889   0.091223  -0.008184
+    0SOL     H2    2   0.078848   0.010928   0.002299
+    0SOL     H3    3   0.118091   0.115335  -0.100063
+    1SOL     O4    4  -0.122977  -0.081820   0.014525
+    1SOL     H5    5  -0.152700  -0.109226  -0.072237
+    1SOL     H6    6  -0.147370  -0.154197   0.072221
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.147082  -0.041030  -0.001402
+    0SOL     H2    2   0.147324   0.054015   0.009940
+    0SOL     H3    3   0.221238  -0.058472  -0.059359
+    1SOL     O4    4  -0.155919   0.039444   0.000423
+    1SOL     H5    5  -0.102428   0.080799   0.068179
+    1SOL     H6    6  -0.126511  -0.051634  -0.001107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130732  -0.065986   0.032316
+    0SOL     H2    2  -0.194582  -0.118002   0.081100
+    0SOL     H3    3  -0.175897  -0.042371  -0.048707
+    1SOL     O4    4   0.141188   0.065867  -0.035437
+    1SOL     H5    5   0.055259   0.031690  -0.010731
+    1SOL     H6    6   0.160884   0.131719   0.031181
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070834   0.134226   0.026713
+    0SOL     H2    2  -0.011049   0.122111   0.074784
+    0SOL     H3    3   0.128321   0.179664   0.088300
+    1SOL     O4    4  -0.065450  -0.133131  -0.038415
+    1SOL     H5    5  -0.158854  -0.153839  -0.035377
+    1SOL     H6    6  -0.032470  -0.158300   0.047847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079147   0.035658   0.125878
+    0SOL     H2    2  -0.155999   0.007103   0.175282
+    0SOL     H3    3  -0.108165   0.114326   0.079709
+    1SOL     O4    4   0.087291  -0.042312  -0.131461
+    1SOL     H5    5   0.102976   0.051119  -0.117788
+    1SOL     H6    6   0.033662  -0.068830  -0.056742
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.136672  -0.023453   0.062383
+    0SOL     H2    2  -0.191070  -0.083237   0.011109
+    0SOL     H3    3  -0.199276   0.031974   0.108976
+    1SOL     O4    4   0.145363   0.023131  -0.068689
+    1SOL     H5    5   0.057629   0.049778  -0.041212
+    1SOL     H6    6   0.191269   0.003787   0.013047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009134   0.158192   0.023947
+    0SOL     H2    2   0.034958   0.120879  -0.052381
+    0SOL     H3    3   0.058485   0.161210   0.091629
+    1SOL     O4    4   0.003951  -0.158206  -0.028696
+    1SOL     H5    5   0.065406  -0.133915   0.040553
+    1SOL     H6    6  -0.082472  -0.142163   0.009199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.073926  -0.006847  -0.143392
+    0SOL     H2    2   0.021419  -0.044033  -0.214261
+    0SOL     H3    3   0.016268  -0.009205  -0.067022
+    1SOL     O4    4  -0.066988   0.006239   0.137981
+    1SOL     H5    5  -0.093608   0.097850   0.145792
+    1SOL     H6    6  -0.049736  -0.021496   0.227956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119023  -0.112594   0.002806
+    0SOL     H2    2  -0.091743  -0.116576   0.094470
+    0SOL     H3    3  -0.077707  -0.033186  -0.031102
+    1SOL     O4    4   0.112315   0.108240  -0.000139
+    1SOL     H5    5   0.099978   0.052557  -0.077013
+    1SOL     H6    6   0.179674   0.170939  -0.026482
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126743   0.055098  -0.067866
+    0SOL     H2    2  -0.170853   0.099285   0.004688
+    0SOL     H3    3  -0.195931   0.039647  -0.132182
+    1SOL     O4    4   0.133262  -0.062535   0.071167
+    1SOL     H5    5   0.205713  -0.025187   0.020985
+    1SOL     H6    6   0.059246  -0.004549   0.053239
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028913   0.151292   0.067587
+    0SOL     H2    2   0.012659   0.065102   0.069886
+    0SOL     H3    3  -0.119459   0.133590   0.042083
+    1SOL     O4    4   0.031392  -0.139495  -0.062896
+    1SOL     H5    5  -0.031067  -0.170429  -0.128503
+    1SOL     H6    6   0.099037  -0.207172  -0.060372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104858   0.124259  -0.027117
+    0SOL     H2    2  -0.090721   0.038529   0.013041
+    0SOL     H3    3  -0.185375   0.156680   0.013235
+    1SOL     O4    4   0.101857  -0.119532   0.024822
+    1SOL     H5    5   0.175387  -0.064828  -0.002801
+    1SOL     H6    6   0.136253  -0.208833   0.022690
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.111379  -0.096001   0.061157
+    0SOL     H2    2  -0.114929  -0.176309   0.113122
+    0SOL     H3    3  -0.176672  -0.038596   0.101205
+    1SOL     O4    4   0.117770   0.101056  -0.061894
+    1SOL     H5    5   0.026844   0.071385  -0.065677
+    1SOL     H6    6   0.160825   0.055781  -0.134412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.143375   0.058075   0.059335
+    0SOL     H2    2   0.093048  -0.018875   0.085945
+    0SOL     H3    3   0.134030   0.119282   0.132333
+    1SOL     O4    4  -0.146723  -0.057893  -0.063521
+    1SOL     H5    5  -0.076199  -0.045722   0.000044
+    1SOL     H6    6  -0.101861  -0.068412  -0.147420
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.107204   0.098324   0.065911
+    0SOL     H2    2  -0.160445   0.082072   0.143780
+    0SOL     H3    3  -0.082844   0.190669   0.072340
+    1SOL     O4    4   0.114882  -0.104000  -0.067258
+    1SOL     H5    5   0.112374  -0.085678  -0.161175
+    1SOL     H6    6   0.023772  -0.096465  -0.038895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.164572  -0.045516   0.006613
+    0SOL     H2    2  -0.072397  -0.021369  -0.002504
+    0SOL     H3    3  -0.188702  -0.015458   0.094229
+    1SOL     O4    4   0.155799   0.039484  -0.012785
+    1SOL     H5    5   0.184128   0.053056   0.077634
+    1SOL     H6    6   0.222336   0.083534  -0.065649
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109756  -0.098662   0.078897
+    0SOL     H2    2   0.072660  -0.020652   0.120134
+    0SOL     H3    3   0.082436  -0.170955   0.135374
+    1SOL     O4    4  -0.101130   0.101698  -0.081055
+    1SOL     H5    5  -0.195492   0.113794  -0.091637
+    1SOL     H6    6  -0.079779   0.028135  -0.138455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079079  -0.117443   0.104413
+    0SOL     H2    2   0.154481  -0.058478   0.104789
+    0SOL     H3    3   0.026172  -0.088273   0.030168
+    1SOL     O4    4  -0.076055   0.108484  -0.097091
+    1SOL     H5    5  -0.054289   0.182990  -0.153104
+    1SOL     H6    6  -0.171709   0.105031  -0.097843
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.159142   0.035418   0.037471
+    0SOL     H2    2   0.188599   0.098746   0.102925
+    0SOL     H3    3   0.225507  -0.033538   0.039225
+    1SOL     O4    4  -0.169367  -0.035488  -0.038662
+    1SOL     H5    5  -0.106609  -0.102083  -0.066750
+    1SOL     H6    6  -0.127007   0.047756  -0.059600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135674  -0.093713   0.042444
+    0SOL     H2    2   0.156029  -0.049895  -0.040188
+    0SOL     H3    3   0.217438  -0.136645   0.067619
+    1SOL     O4    4  -0.141403   0.097641  -0.045013
+    1SOL     H5    5  -0.069507   0.082815   0.016415
+    1SOL     H6    6  -0.213086   0.043775  -0.011512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046416   0.089525  -0.144479
+    0SOL     H2    2   0.123520   0.046157  -0.107920
+    0SOL     H3    3   0.045206   0.175609  -0.102642
+    1SOL     O4    4  -0.051714  -0.098313   0.138257
+    1SOL     H5    5  -0.113095  -0.026667   0.122086
+    1SOL     H6    6   0.023294  -0.056559   0.180596
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056721  -0.157916  -0.033487
+    0SOL     H2    2   0.119693  -0.159602  -0.105557
+    0SOL     H3    3   0.103505  -0.197237   0.040184
+    1SOL     O4    4  -0.062012   0.166566   0.035017
+    1SOL     H5    5  -0.144684   0.118356   0.036889
+    1SOL     H6    6   0.003445   0.101029   0.010875
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091596  -0.119100  -0.099427
+    0SOL     H2    2  -0.030812  -0.062470  -0.051882
+    0SOL     H3    3  -0.066905  -0.207888  -0.073556
+    1SOL     O4    4   0.081924   0.118965   0.091124
+    1SOL     H5    5   0.091038   0.100712   0.184644
+    1SOL     H6    6   0.155748   0.176318   0.070560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120775  -0.092128   0.077402
+    0SOL     H2    2   0.132269  -0.185952   0.062327
+    0SOL     H3    3   0.187422  -0.069927   0.142423
+    1SOL     O4    4  -0.124073   0.093881  -0.085021
+    1SOL     H5    5  -0.212507   0.098311  -0.048661
+    1SOL     H6    6  -0.069365   0.138837  -0.020613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012102   0.144646  -0.116338
+    0SOL     H2    2  -0.002453   0.070568  -0.057491
+    0SOL     H3    3   0.054162   0.210915  -0.061550
+    1SOL     O4    4  -0.014384  -0.138265   0.111173
+    1SOL     H5    5  -0.076681  -0.204595   0.081477
+    1SOL     H6    6   0.063480  -0.187981   0.136229
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.127126   0.079867   0.111905
+    0SOL     H2    2  -0.139839   0.064116   0.018349
+    0SOL     H3    3  -0.114539  -0.007290   0.149422
+    1SOL     O4    4   0.125621  -0.071859  -0.103292
+    1SOL     H5    5   0.128208  -0.030883  -0.189759
+    1SOL     H6    6   0.154605  -0.161811  -0.118486
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034667  -0.021865  -0.182148
+    0SOL     H2    2   0.110603  -0.012867  -0.124571
+    0SOL     H3    3   0.005992   0.068024  -0.198274
+    1SOL     O4    4  -0.033162   0.012663   0.175671
+    1SOL     H5    5  -0.013937   0.086846   0.233026
+    1SOL     H6    6  -0.127892   0.000843   0.182660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018237   0.113876   0.140208
+    0SOL     H2    2  -0.042718   0.201235   0.170728
+    0SOL     H3    3  -0.100831   0.074009   0.112801
+    1SOL     O4    4   0.025175  -0.117680  -0.147057
+    1SOL     H5    5   0.006316  -0.180580  -0.077414
+    1SOL     H6    6   0.042348  -0.035467  -0.101139
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058273   0.021123  -0.177248
+    0SOL     H2    2  -0.126798  -0.044893  -0.166830
+    0SOL     H3    3   0.022075  -0.023176  -0.149970
+    1SOL     O4    4   0.058823  -0.013578   0.169164
+    1SOL     H5    5  -0.027323  -0.033690   0.205725
+    1SOL     H6    6   0.119755  -0.029195   0.241315
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.147445  -0.100263  -0.024011
+    0SOL     H2    2   0.233655  -0.059242  -0.030904
+    0SOL     H3    3   0.158573  -0.186408  -0.064229
+    1SOL     O4    4  -0.153465   0.102931   0.032970
+    1SOL     H5    5  -0.222060   0.117935  -0.032082
+    1SOL     H6    6  -0.074244   0.088114  -0.018671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134219   0.115284  -0.059096
+    0SOL     H2    2  -0.211146   0.121075  -0.115762
+    0SOL     H3    3  -0.166541   0.074283   0.021131
+    1SOL     O4    4   0.141577  -0.106862   0.059135
+    1SOL     H5    5   0.097313  -0.172215   0.113284
+    1SOL     H6    6   0.163302  -0.153368  -0.021658
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.184527   0.025375  -0.026113
+    0SOL     H2    2  -0.178938   0.105363   0.026166
+    0SOL     H3    3  -0.234979  -0.035259   0.028112
+    1SOL     O4    4   0.181840  -0.023396   0.021954
+    1SOL     H5    5   0.189352  -0.117305   0.005013
+    1SOL     H6    6   0.271147   0.009842   0.012909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.188405  -0.021850   0.040234
+    0SOL     H2    2   0.156907   0.015066  -0.042273
+    0SOL     H3    3   0.257931  -0.082378   0.014451
+    1SOL     O4    4  -0.188333   0.030093  -0.031800
+    1SOL     H5    5  -0.136395  -0.031245  -0.083785
+    1SOL     H6    6  -0.271330  -0.015247  -0.017034
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059808   0.102889   0.163311
+    0SOL     H2    2   0.141318   0.056858   0.143325
+    0SOL     H3    3  -0.008744   0.047832   0.125473
+    1SOL     O4    4  -0.059088  -0.094585  -0.153970
+    1SOL     H5    5  -0.136881  -0.146231  -0.175023
+    1SOL     H6    6  -0.008083  -0.093916  -0.234966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.188305   0.043553  -0.006198
+    0SOL     H2    2  -0.212169   0.043789  -0.098895
+    0SOL     H3    3  -0.218606   0.128220   0.026600
+    1SOL     O4    4   0.189556  -0.054604   0.009630
+    1SOL     H5    5   0.128516   0.017905   0.023004
+    1SOL     H6    6   0.273651  -0.012295  -0.007701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148865   0.112235   0.081591
+    0SOL     H2    2   0.076993   0.106278   0.144529
+    0SOL     H3    3   0.105686   0.119794  -0.003501
+    1SOL     O4    4  -0.142662  -0.106374  -0.081430
+    1SOL     H5    5  -0.130258  -0.144694   0.005404
+    1SOL     H6    6  -0.133245  -0.180088  -0.141761
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006155  -0.130436   0.153028
+    0SOL     H2    2  -0.086609  -0.119529   0.203729
+    0SOL     H3    3   0.020800  -0.041198   0.131295
+    1SOL     O4    4   0.012719   0.120335  -0.153859
+    1SOL     H5    5  -0.027610   0.181059  -0.091822
+    1SOL     H6    6  -0.016834   0.150600  -0.239725
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.072819   0.151260  -0.110062
+    0SOL     H2    2  -0.034407   0.233776  -0.080432
+    0SOL     H3    3  -0.098936   0.106651  -0.029500
+    1SOL     O4    4   0.069010  -0.158142   0.107556
+    1SOL     H5    5   0.151756  -0.115859   0.130523
+    1SOL     H6    6   0.042878  -0.116672   0.025338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149446  -0.074049   0.120411
+    0SOL     H2    2   0.139721  -0.020305   0.199019
+    0SOL     H3    3   0.197872  -0.018578   0.059253
+    1SOL     O4    4  -0.148987   0.062626  -0.124037
+    1SOL     H5    5  -0.226693   0.108820  -0.155504
+    1SOL     H6    6  -0.122904   0.110406  -0.045303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079326   0.083350  -0.173452
+    0SOL     H2    2   0.166686   0.122191  -0.178148
+    0SOL     H3    3   0.062088   0.074312  -0.079732
+    1SOL     O4    4  -0.079420  -0.079126   0.166557
+    1SOL     H5    5  -0.076438  -0.116233   0.254742
+    1SOL     H6    6  -0.138672  -0.136741   0.118267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127201  -0.127591   0.094981
+    0SOL     H2    2   0.133649  -0.081839   0.178811
+    0SOL     H3    3   0.100317  -0.216486   0.118162
+    1SOL     O4    4  -0.132187   0.128621  -0.101481
+    1SOL     H5    5  -0.088283   0.208133  -0.071273
+    1SOL     H6    6  -0.063182   0.062309  -0.103275
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.177729   0.095437  -0.053975
+    0SOL     H2    2   0.192609   0.167365  -0.115353
+    0SOL     H3    3   0.101299   0.049557  -0.088843
+    1SOL     O4    4  -0.170705  -0.096687   0.065332
+    1SOL     H5    5  -0.227533  -0.030613   0.025746
+    1SOL     H6    6  -0.174426  -0.170845   0.004925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128929   0.128889  -0.103380
+    0SOL     H2    2   0.081501   0.207802  -0.129566
+    0SOL     H3    3   0.149811   0.142973  -0.011034
+    1SOL     O4    4  -0.122818  -0.137311   0.105037
+    1SOL     H5    5  -0.205410  -0.089760   0.113968
+    1SOL     H6    6  -0.107926  -0.142018   0.010600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.192496   0.025506  -0.075754
+    0SOL     H2    2   0.278464   0.066964  -0.083040
+    0SOL     H3    3   0.210667  -0.061221  -0.039553
+    1SOL     O4    4  -0.200168  -0.027710   0.077004
+    1SOL     H5    5  -0.110385   0.005183   0.081419
+    1SOL     H6    6  -0.245355   0.033578   0.019002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.175838   0.087802   0.103255
+    0SOL     H2    2  -0.164852   0.026424   0.030630
+    0SOL     H3    3  -0.114597   0.158835   0.084117
+    1SOL     O4    4   0.167641  -0.089963  -0.091966
+    1SOL     H5    5   0.179023  -0.008541  -0.140988
+    1SOL     H6    6   0.220651  -0.154085  -0.139301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059043  -0.052484  -0.210540
+    0SOL     H2    2   0.034671  -0.033039  -0.209144
+    0SOL     H3    3  -0.097225   0.008891  -0.147790
+    1SOL     O4    4   0.050341   0.045841   0.203101
+    1SOL     H5    5   0.098698  -0.002934   0.269771
+    1SOL     H6    6   0.095359   0.130139   0.197664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080274  -0.194171   0.044875
+    0SOL     H2    2   0.050372  -0.274284   0.001863
+    0SOL     H3    3   0.175117  -0.204825   0.052191
+    1SOL     O4    4  -0.081598   0.204542  -0.041362
+    1SOL     H5    5  -0.172252   0.175409  -0.051134
+    1SOL     H6    6  -0.029168   0.127153  -0.061963
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.184264   0.066071  -0.119945
+    0SOL     H2    2  -0.211984   0.157684  -0.120919
+    0SOL     H3    3  -0.173378   0.045277  -0.027147
+    1SOL     O4    4   0.187754  -0.073849   0.118726
+    1SOL     H5    5   0.210511   0.016900   0.098499
+    1SOL     H6    6   0.110742  -0.091867   0.064812
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113537  -0.115379   0.172024
+    0SOL     H2    2   0.022520  -0.141122   0.186707
+    0SOL     H3    3   0.108367  -0.024174   0.143438
+    1SOL     O4    4  -0.107104   0.117613  -0.171355
+    1SOL     H5    5  -0.160378   0.077632  -0.102611
+    1SOL     H6    6  -0.090067   0.046389  -0.232992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.115330  -0.096664  -0.175004
+    0SOL     H2    2   0.048278  -0.149456  -0.218356
+    0SOL     H3    3   0.146459  -0.036878  -0.242966
+    1SOL     O4    4  -0.111035   0.097602   0.186985
+    1SOL     H5    5  -0.074065   0.122802   0.102366
+    1SOL     H6    6  -0.190165   0.048467   0.164928
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.166746  -0.014630  -0.176537
+    0SOL     H2    2   0.090580   0.042435  -0.166311
+    0SOL     H3    3   0.168402  -0.067027  -0.096449
+    1SOL     O4    4  -0.162460   0.017196   0.165271
+    1SOL     H5    5  -0.096934   0.021468   0.234916
+    1SOL     H6    6  -0.234232  -0.033719   0.202937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.093256   0.112841   0.199546
+    0SOL     H2    2   0.101991   0.141609   0.108670
+    0SOL     H3    3   0.008762   0.147848   0.227785
+    1SOL     O4    4  -0.087303  -0.114612  -0.202053
+    1SOL     H5    5  -0.159446  -0.078002  -0.150893
+    1SOL     H6    6  -0.048990  -0.181372  -0.145153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.126237   0.079621  -0.193874
+    0SOL     H2    2  -0.200281   0.045446  -0.243994
+    0SOL     H3    3  -0.158615   0.085130  -0.103965
+    1SOL     O4    4   0.135705  -0.080188   0.187603
+    1SOL     H5    5   0.160977  -0.049503   0.274678
+    1SOL     H6    6   0.040740  -0.068550   0.184683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.030153   0.214974  -0.114096
+    0SOL     H2    2   0.020639   0.207304  -0.033326
+    0SOL     H3    3  -0.010779   0.302984  -0.146363
+    1SOL     O4    4   0.025172  -0.217593   0.105557
+    1SOL     H5    5  -0.034980  -0.220162   0.179971
+    1SOL     H6    6   0.108651  -0.248079   0.141114
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.186622   0.065462  -0.158087
+    0SOL     H2    2  -0.152575  -0.003080  -0.215578
+    0SOL     H3    3  -0.267648   0.094090  -0.200248
+    1SOL     O4    4   0.189272  -0.067220   0.168901
+    1SOL     H5    5   0.111157  -0.030837   0.127227
+    1SOL     H6    6   0.262164  -0.033526   0.116806
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.141947  -0.174187  -0.129170
+    0SOL     H2    2  -0.090310  -0.144932  -0.204271
+    0SOL     H3    3  -0.181972  -0.256201  -0.158050
+    1SOL     O4    4   0.140328   0.181652   0.139582
+    1SOL     H5    5   0.192524   0.187119   0.059531
+    1SOL     H6    6   0.101488   0.094204   0.136981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.219714  -0.118056  -0.103023
+    0SOL     H2    2  -0.197011  -0.094146  -0.013161
+    0SOL     H3    3  -0.306993  -0.156767  -0.096236
+    1SOL     O4    4   0.226423   0.121387   0.092166
+    1SOL     H5    5   0.215185   0.158694   0.179598
+    1SOL     H6    6   0.181799   0.036804   0.096248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.260068  -0.046331   0.078993
+    0SOL     H2    2   0.336045  -0.060427   0.135482
+    0SOL     H3    3   0.247981  -0.129815   0.033752
+    1SOL     O4    4  -0.266291   0.055024  -0.085339
+    1SOL     H5    5  -0.232658   0.100009  -0.007830
+    1SOL     H6    6  -0.263668  -0.037826  -0.062225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.279042  -0.033933   0.018274
+    0SOL     H2    2  -0.304349   0.038203   0.075878
+    0SOL     H3    3  -0.349522  -0.098014   0.027678
+    1SOL     O4    4   0.287861   0.035839  -0.025689
+    1SOL     H5    5   0.208844  -0.014452  -0.045424
+    1SOL     H6    6   0.288286   0.043405   0.069730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017525  -0.120868   0.264374
+    0SOL     H2    2  -0.016906  -0.025406   0.257385
+    0SOL     H3    3   0.049457  -0.140572   0.329853
+    1SOL     O4    4   0.014531   0.121825  -0.265937
+    1SOL     H5    5   0.065178   0.042772  -0.247285
+    1SOL     H6    6  -0.056342   0.092024  -0.322956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.003179  -0.140036   0.263159
+    0SOL     H2    2  -0.084148  -0.139116   0.302344
+    0SOL     H3    3   0.004237  -0.218777   0.208744
+    1SOL     O4    4   0.000602   0.149139  -0.257611
+    1SOL     H5    5   0.062520   0.076800  -0.247834
+    1SOL     H6    6  -0.037413   0.136605  -0.344560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009585  -0.164564   0.251663
+    0SOL     H2    2  -0.063602  -0.085906   0.244083
+    0SOL     H3    3   0.064064  -0.137889   0.306676
+    1SOL     O4    4   0.006711   0.151940  -0.253539
+    1SOL     H5    5  -0.025513   0.215024  -0.317916
+    1SOL     H6    6   0.069728   0.201287  -0.201042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037047  -0.067756  -0.294612
+    0SOL     H2    2  -0.021657  -0.005198  -0.337069
+    0SOL     H3    3   0.086592  -0.106834  -0.366589
+    1SOL     O4    4  -0.032079   0.062094   0.304788
+    1SOL     H5    5  -0.017290   0.107911   0.222058
+    1SOL     H6    6  -0.120980   0.086740   0.330312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.194050   0.189967   0.172344
+    0SOL     H2    2  -0.202217   0.221049   0.262507
+    0SOL     H3    3  -0.246871   0.110188   0.169583
+    1SOL     O4    4   0.203801  -0.186520  -0.176110
+    1SOL     H5    5   0.143437  -0.238797  -0.123331
+    1SOL     H6    6   0.148619  -0.147007  -0.243608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113441   0.258334   0.163775
+    0SOL     H2    2   0.206999   0.266372   0.182339
+    0SOL     H3    3   0.082237   0.348652   0.158181
+    1SOL     O4    4  -0.120391  -0.263534  -0.169889
+    1SOL     H5    5  -0.051222  -0.325902  -0.147794
+    1SOL     H6    6  -0.128805  -0.208460  -0.092053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140271  -0.269038  -0.146183
+    0SOL     H2    2  -0.190679  -0.348885  -0.130507
+    0SOL     H3    3  -0.146015  -0.255203  -0.240724
+    1SOL     O4    4   0.148715   0.271990   0.153771
+    1SOL     H5    5   0.140277   0.299713   0.062543
+    1SOL     H6    6   0.059124   0.252628   0.181354
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.329053  -0.008535  -0.139253
+    0SOL     H2    2  -0.312796  -0.102578  -0.131912
+    0SOL     H3    3  -0.267145   0.021396  -0.205840
+    1SOL     O4    4   0.323913   0.013994   0.148924
+    1SOL     H5    5   0.381727   0.044912   0.079182
+    1SOL     H6    6   0.278127  -0.060879   0.110714
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.253212  -0.167324   0.183388
+    0SOL     H2    2   0.164181  -0.195475   0.204443
+    0SOL     H3    3   0.300383  -0.172744   0.266502
+    1SOL     O4    4  -0.245613   0.170104  -0.188933
+    1SOL     H5    5  -0.302107   0.202541  -0.259066
+    1SOL     H6    6  -0.303528   0.117364  -0.133918
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.219161  -0.270887  -0.102008
+    0SOL     H2    2  -0.238030  -0.195772  -0.158258
+    0SOL     H3    3  -0.225620  -0.236400  -0.012950
+    1SOL     O4    4   0.221011   0.258283   0.096840
+    1SOL     H5    5   0.160301   0.328850   0.074548
+    1SOL     H6    6   0.273574   0.293623   0.168607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.177809   0.332102  -0.229599
+    0SOL     H2    2   0.217478   0.301282  -0.311078
+    0SOL     H3    3   0.203981   0.423967  -0.223412
+    1SOL     O4    4  -0.182650  -0.333433   0.228354
+    1SOL     H5    5  -0.205174  -0.419942   0.262578
+    1SOL     H6    6  -0.139261  -0.289291   0.301368
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.355153   0.286843  -0.148307
+    0SOL     H2    2   0.320061   0.357798  -0.094490
+    0SOL     H3    3   0.444054   0.314905  -0.170020
+    1SOL     O4    4  -0.359435  -0.289902   0.152547
+    1SOL     H5    5  -0.347416  -0.381649   0.128044
+    1SOL     H6    6  -0.353596  -0.242019   0.069870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/600K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.265785  -0.061190  -0.417911
+    0SOL     H2    2  -0.213157   0.007190  -0.459345
+    0SOL     H3    3  -0.310594  -0.104368  -0.490644
+    1SOL     O4    4   0.260644   0.055773   0.426279
+    1SOL     H5    5   0.252715   0.144658   0.391654
+    1SOL     H6    6   0.354918   0.039440   0.429107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017087  -0.115134   0.043649
+    0SOL     H2    2  -0.068957  -0.097101   0.122050
+    0SOL     H3    3   0.045112  -0.182552   0.071006
+    1SOL     O4    4   0.009413   0.121168  -0.049833
+    1SOL     H5    5   0.089873   0.168952  -0.069961
+    1SOL     H6    6   0.038768   0.032516  -0.028823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.072037  -0.071491   0.076273
+    0SOL     H2    2   0.159168  -0.076332   0.036939
+    0SOL     H3    3   0.042168  -0.162367   0.079695
+    1SOL     O4    4  -0.081108   0.079660  -0.073750
+    1SOL     H5    5  -0.026420   0.044043  -0.003728
+    1SOL     H6    6  -0.030840   0.064130  -0.153714
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063685  -0.119956  -0.014803
+    0SOL     H2    2   0.044717  -0.143435  -0.105639
+    0SOL     H3    3   0.000414  -0.051185   0.005924
+    1SOL     O4    4  -0.063900   0.112795   0.016484
+    1SOL     H5    5  -0.026517   0.119309   0.104361
+    1SOL     H6    6  -0.020699   0.182286  -0.033186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.057139  -0.050198   0.106471
+    0SOL     H2    2   0.151688  -0.036228   0.101204
+    0SOL     H3    3   0.031830  -0.011702   0.190375
+    1SOL     O4    4  -0.065337   0.045284  -0.115277
+    1SOL     H5    5  -0.022890   0.130905  -0.109838
+    1SOL     H6    6  -0.026798  -0.005200  -0.043664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021307  -0.112257   0.065981
+    0SOL     H2    2  -0.056387  -0.148334   0.023267
+    0SOL     H3    3   0.051763  -0.182375   0.123586
+    1SOL     O4    4  -0.017856   0.121020  -0.072112
+    1SOL     H5    5   0.023216   0.039929  -0.042118
+    1SOL     H6    6  -0.080312   0.143254  -0.003067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.015175   0.087496   0.106246
+    0SOL     H2    2   0.066694   0.136869   0.110954
+    0SOL     H3    3  -0.078649   0.141758   0.153032
+    1SOL     O4    4   0.014380  -0.093826  -0.115077
+    1SOL     H5    5  -0.037857  -0.024185  -0.075281
+    1SOL     H6    6   0.063209  -0.131900  -0.042081
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021066   0.140073   0.053336
+    0SOL     H2    2   0.009282   0.065516  -0.005526
+    0SOL     H3    3  -0.032980   0.119257   0.129547
+    1SOL     O4    4  -0.018110  -0.127008  -0.051874
+    1SOL     H5    5  -0.011962  -0.206747   0.000721
+    1SOL     H6    6  -0.006369  -0.156795  -0.142081
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031744   0.126744   0.070864
+    0SOL     H2    2   0.015258   0.086574   0.156170
+    0SOL     H3    3  -0.041180   0.097618   0.016128
+    1SOL     O4    4  -0.029093  -0.125705  -0.078146
+    1SOL     H5    5   0.058329  -0.129313  -0.039329
+    1SOL     H6    6  -0.081763  -0.077700  -0.014241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058620   0.004390  -0.140392
+    0SOL     H2    2  -0.060640   0.005479  -0.044699
+    0SOL     H3    3   0.029019   0.035612  -0.162903
+    1SOL     O4    4   0.057583  -0.004730   0.132240
+    1SOL     H5    5   0.013537   0.048514   0.198478
+    1SOL     H6    6   0.020448  -0.092266   0.143230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110103   0.055835   0.069274
+    0SOL     H2    2  -0.184644   0.078606   0.124838
+    0SOL     H3    3  -0.111459   0.121173  -0.000664
+    1SOL     O4    4   0.114604  -0.060270  -0.074761
+    1SOL     H5    5   0.040245  -0.048440  -0.015658
+    1SOL     H6    6   0.186468  -0.087600  -0.017745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.080761   0.016846  -0.124104
+    0SOL     H2    2   0.046542   0.070880  -0.052889
+    0SOL     H3    3   0.077326   0.073623  -0.201091
+    1SOL     O4    4  -0.079676  -0.018585   0.120211
+    1SOL     H5    5  -0.139675  -0.055794   0.184849
+    1SOL     H6    6   0.001882  -0.067187   0.132399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074066  -0.130801   0.001715
+    0SOL     H2    2   0.090972  -0.039116  -0.019970
+    0SOL     H3    3   0.153313  -0.159780   0.046909
+    1SOL     O4    4  -0.080963   0.125395  -0.009205
+    1SOL     H5    5  -0.079480   0.215953   0.021767
+    1SOL     H6    6  -0.055616   0.073506   0.067133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037806  -0.090875   0.111969
+    0SOL     H2    2   0.049157  -0.179379   0.077319
+    0SOL     H3    3  -0.033448  -0.098885   0.175380
+    1SOL     O4    4  -0.036486   0.102794  -0.113714
+    1SOL     H5    5  -0.001090   0.054280  -0.188251
+    1SOL     H6    6  -0.032184   0.041070  -0.040679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.045426   0.102610   0.111886
+    0SOL     H2    2  -0.019623   0.106391   0.041767
+    0SOL     H3    3   0.129130   0.092934   0.066473
+    1SOL     O4    4  -0.041533  -0.107505  -0.103936
+    1SOL     H5    5  -0.118124  -0.080112  -0.053480
+    1SOL     H6    6  -0.040277  -0.048725  -0.179471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079535   0.125403  -0.054858
+    0SOL     H2    2  -0.004337   0.164699  -0.010547
+    0SOL     H3    3  -0.120887   0.070737   0.011956
+    1SOL     O4    4   0.082024  -0.127442   0.043942
+    1SOL     H5    5   0.036495  -0.171904   0.115444
+    1SOL     H6    6   0.059867  -0.035003   0.055187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074054  -0.100430  -0.087767
+    0SOL     H2    2   0.068725  -0.155403  -0.009588
+    0SOL     H3    3   0.041330  -0.156031  -0.158478
+    1SOL     O4    4  -0.075511   0.103203   0.089161
+    1SOL     H5    5  -0.070820   0.195864   0.112703
+    1SOL     H6    6  -0.007386   0.091799   0.022895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025079   0.070456  -0.131302
+    0SOL     H2    2   0.006150   0.085821  -0.223865
+    0SOL     H3    3   0.109693   0.025703  -0.131217
+    1SOL     O4    4  -0.025147  -0.071783   0.140572
+    1SOL     H5    5  -0.120836  -0.073955   0.139438
+    1SOL     H6    6  -0.001812  -0.007343   0.073749
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006999   0.129812  -0.080317
+    0SOL     H2    2  -0.056264   0.196637  -0.127958
+    0SOL     H3    3   0.069030   0.112017  -0.135680
+    1SOL     O4    4   0.002365  -0.133975   0.081111
+    1SOL     H5    5   0.061549  -0.190152   0.131148
+    1SOL     H6    6   0.003440  -0.050399   0.127760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.158093   0.051806  -0.015428
+    0SOL     H2    2  -0.138007  -0.014622   0.050498
+    0SOL     H3    3  -0.089822   0.041271  -0.081688
+    1SOL     O4    4   0.147971  -0.048451   0.019559
+    1SOL     H5    5   0.155569  -0.071282  -0.073088
+    1SOL     H6    6   0.225582   0.004571   0.037653
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050319  -0.083018   0.129642
+    0SOL     H2    2  -0.071680  -0.041095   0.046284
+    0SOL     H3    3  -0.106710  -0.160301   0.132782
+    1SOL     O4    4   0.049711   0.084610  -0.129918
+    1SOL     H5    5   0.064152   0.148602  -0.060213
+    1SOL     H6    6   0.119972   0.020587  -0.118655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019284  -0.154825  -0.057076
+    0SOL     H2    2  -0.000952  -0.078310  -0.002564
+    0SOL     H3    3  -0.081367  -0.123209  -0.122715
+    1SOL     O4    4   0.016216   0.144598   0.056827
+    1SOL     H5    5   0.027643   0.239633   0.057224
+    1SOL     H6    6   0.103010   0.109905   0.077455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.036415  -0.158641   0.036781
+    0SOL     H2    2   0.101217  -0.143984   0.105688
+    0SOL     H3    3  -0.013346  -0.076965   0.032868
+    1SOL     O4    4  -0.031457   0.151443  -0.041754
+    1SOL     H5    5  -0.103780   0.151859  -0.104457
+    1SOL     H6    6  -0.071094   0.179346   0.040785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018374  -0.146454  -0.060202
+    0SOL     H2    2  -0.087629  -0.210615  -0.044413
+    0SOL     H3    3   0.057010  -0.180095  -0.011747
+    1SOL     O4    4   0.016515   0.156999   0.052734
+    1SOL     H5    5  -0.028538   0.072664   0.057219
+    1SOL     H6    6   0.086906   0.150062   0.117226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.154912   0.020039   0.058506
+    0SOL     H2    2  -0.073165   0.051263   0.019714
+    0SOL     H3    3  -0.219731   0.029448  -0.011296
+    1SOL     O4    4   0.148223  -0.022196  -0.055231
+    1SOL     H5    5   0.194126   0.052382  -0.016589
+    1SOL     H6    6   0.208421  -0.095789  -0.044154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.150975  -0.057349   0.002908
+    0SOL     H2    2   0.226012  -0.109134  -0.026248
+    0SOL     H3    3   0.134334   0.003454  -0.069123
+    1SOL     O4    4  -0.153696   0.062922   0.001448
+    1SOL     H5    5  -0.228298   0.005081  -0.014407
+    1SOL     H6    6  -0.089638   0.007721   0.046301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041097   0.153403  -0.012365
+    0SOL     H2    2   0.063414   0.231137   0.038836
+    0SOL     H3    3   0.046493   0.182302  -0.103458
+    1SOL     O4    4  -0.048095  -0.157862   0.016830
+    1SOL     H5    5   0.010446  -0.100174  -0.032236
+    1SOL     H6    6  -0.001619  -0.241446   0.020827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139435   0.000468   0.102953
+    0SOL     H2    2   0.087328  -0.073306   0.134649
+    0SOL     H3    3   0.143116  -0.011751   0.008088
+    1SOL     O4    4  -0.139399  -0.000657  -0.102531
+    1SOL     H5    5  -0.093777  -0.002330  -0.018399
+    1SOL     H6    6  -0.141009   0.091837  -0.127123
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062343  -0.144839   0.048483
+    0SOL     H2    2  -0.074743  -0.112500   0.137717
+    0SOL     H3    3  -0.130641  -0.210949   0.037208
+    1SOL     O4    4   0.064586   0.149986  -0.047635
+    1SOL     H5    5   0.055268   0.056251  -0.064642
+    1SOL     H6    6   0.112339   0.183514  -0.123516
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112744  -0.113190   0.064577
+    0SOL     H2    2   0.093048  -0.054553  -0.008471
+    0SOL     H3    3   0.204390  -0.137630   0.051696
+    1SOL     O4    4  -0.115238   0.107572  -0.053959
+    1SOL     H5    5  -0.204063   0.115735  -0.088684
+    1SOL     H6    6  -0.061316   0.159625  -0.113500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123455   0.005619   0.125125
+    0SOL     H2    2  -0.120998   0.091886   0.166528
+    0SOL     H3    3  -0.031645  -0.020822   0.119284
+    1SOL     O4    4   0.113404  -0.006349  -0.125249
+    1SOL     H5    5   0.119020  -0.095788  -0.158887
+    1SOL     H6    6   0.203171   0.026599  -0.129578
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149626  -0.104137  -0.023848
+    0SOL     H2    2   0.091889  -0.030233  -0.004691
+    0SOL     H3    3   0.090251  -0.177645  -0.039126
+    1SOL     O4    4  -0.137817   0.105284   0.022190
+    1SOL     H5    5  -0.214933   0.098330  -0.034086
+    1SOL     H6    6  -0.170967   0.088841   0.110468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113014  -0.132951   0.034660
+    0SOL     H2    2   0.177045  -0.175185   0.091920
+    0SOL     H3    3   0.031627  -0.133651   0.085038
+    1SOL     O4    4  -0.109596   0.130477  -0.036558
+    1SOL     H5    5  -0.177195   0.195948  -0.019056
+    1SOL     H6    6  -0.081960   0.147973  -0.126516
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.099633  -0.080438   0.133324
+    0SOL     H2    2   0.161131  -0.048148   0.199186
+    0SOL     H3    3   0.111664  -0.021930   0.058529
+    1SOL     O4    4  -0.097797   0.072207  -0.132836
+    1SOL     H5    5  -0.119697   0.157128  -0.094482
+    1SOL     H6    6  -0.179086   0.042738  -0.173896
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050036   0.049298   0.166297
+    0SOL     H2    2  -0.105740  -0.028222   0.159221
+    0SOL     H3    3  -0.095444   0.105859   0.228757
+    1SOL     O4    4   0.057487  -0.042014  -0.169267
+    1SOL     H5    5   0.069345  -0.105287  -0.240106
+    1SOL     H6    6   0.010554  -0.090506  -0.101383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.023366  -0.183279   0.010614
+    0SOL     H2    2  -0.017863  -0.132095  -0.070084
+    0SOL     H3    3  -0.077764  -0.258601  -0.012403
+    1SOL     O4    4   0.022743   0.178749  -0.006631
+    1SOL     H5    5  -0.006603   0.240676   0.060198
+    1SOL     H6    6   0.101018   0.219159  -0.044078
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114185   0.050855   0.137748
+    0SOL     H2    2  -0.039493   0.032934   0.194864
+    0SOL     H3    3  -0.133230   0.143641   0.151547
+    1SOL     O4    4   0.116629  -0.058402  -0.143265
+    1SOL     H5    5   0.090790   0.031386  -0.164068
+    1SOL     H6    6   0.044548  -0.092454  -0.090283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068755   0.067510  -0.162965
+    0SOL     H2    2   0.117804   0.145480  -0.188987
+    0SOL     H3    3   0.027117   0.091837  -0.080280
+    1SOL     O4    4  -0.069101  -0.069086   0.163494
+    1SOL     H5    5  -0.060552  -0.062403   0.068391
+    1SOL     H6    6  -0.076628  -0.163006   0.180371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039466   0.185341  -0.032194
+    0SOL     H2    2   0.005713   0.208675  -0.113291
+    0SOL     H3    3   0.030622   0.160124   0.027923
+    1SOL     O4    4   0.037541  -0.184240   0.028174
+    1SOL     H5    5   0.063015  -0.235766   0.104715
+    1SOL     H6    6  -0.050667  -0.153105   0.048479
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104463  -0.153908   0.007239
+    0SOL     H2    2   0.088607  -0.246385  -0.011705
+    0SOL     H3    3   0.197145  -0.149786   0.030806
+    1SOL     O4    4  -0.105690   0.157947  -0.002133
+    1SOL     H5    5  -0.187615   0.116337  -0.028949
+    1SOL     H6    6  -0.077007   0.206519  -0.079467
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.007926   0.180712   0.067321
+    0SOL     H2    2   0.022297   0.214067   0.151798
+    0SOL     H3    3  -0.020970   0.086996   0.081799
+    1SOL     O4    4   0.006054  -0.179421  -0.065175
+    1SOL     H5    5   0.059006  -0.108936  -0.102462
+    1SOL     H6    6  -0.032976  -0.222823  -0.141039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.106895  -0.076915   0.146091
+    0SOL     H2    2  -0.030933  -0.088103   0.203247
+    0SOL     H3    3  -0.075307  -0.101422   0.059120
+    1SOL     O4    4   0.099987   0.084320  -0.141135
+    1SOL     H5    5   0.179703   0.031375  -0.139015
+    1SOL     H6    6   0.041723   0.037586  -0.200998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002473   0.034100   0.187742
+    0SOL     H2    2   0.091936   0.018681   0.191154
+    0SOL     H3    3  -0.040434  -0.038348   0.237467
+    1SOL     O4    4  -0.002076  -0.031012  -0.196611
+    1SOL     H5    5  -0.061380  -0.022468  -0.121962
+    1SOL     H6    6   0.082046   0.001205  -0.164241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.165194  -0.111946  -0.037204
+    0SOL     H2    2  -0.166519  -0.031914   0.015289
+    0SOL     H3    3  -0.073229  -0.138475  -0.038196
+    1SOL     O4    4   0.159194   0.113997   0.038435
+    1SOL     H5    5   0.198605   0.029051   0.058268
+    1SOL     H6    6   0.140164   0.110324  -0.055303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.090450   0.108623   0.141594
+    0SOL     H2    2  -0.003316   0.143134   0.161060
+    0SOL     H3    3  -0.106899   0.134703   0.050977
+    1SOL     O4    4   0.089201  -0.114809  -0.144424
+    1SOL     H5    5   0.144095  -0.086331  -0.071363
+    1SOL     H6    6   0.000209  -0.091277  -0.118175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.144425   0.033380  -0.125551
+    0SOL     H2    2  -0.122908   0.096332  -0.194373
+    0SOL     H3    3  -0.156470  -0.049555  -0.171801
+    1SOL     O4    4   0.144015  -0.034966   0.126595
+    1SOL     H5    5   0.134072   0.058633   0.143994
+    1SOL     H6    6   0.150120  -0.074984   0.213334
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.150447   0.132388  -0.043112
+    0SOL     H2    2  -0.184563   0.177170   0.034302
+    0SOL     H3    3  -0.055628   0.130843  -0.030105
+    1SOL     O4    4   0.151281  -0.130977   0.037622
+    1SOL     H5    5   0.147018  -0.205934   0.096998
+    1SOL     H6    6   0.072174  -0.138143  -0.015792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.156816   0.053342   0.119440
+    0SOL     H2    2   0.161974   0.112535   0.194486
+    0SOL     H3    3   0.097174   0.096917   0.058559
+    1SOL     O4    4  -0.152701  -0.058080  -0.126806
+    1SOL     H5    5  -0.103649  -0.023432  -0.052269
+    1SOL     H6    6  -0.221300  -0.111983  -0.087424
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.125876  -0.160640  -0.047868
+    0SOL     H2    2   0.069082  -0.083622  -0.050078
+    0SOL     H3    3   0.077096  -0.227806  -0.095529
+    1SOL     O4    4  -0.120231   0.163208   0.044711
+    1SOL     H5    5  -0.172702   0.093698   0.084429
+    1SOL     H6    6  -0.056701   0.186904   0.112274
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.006607  -0.070606   0.194522
+    0SOL     H2    2  -0.022001  -0.075800   0.288853
+    0SOL     H3    3  -0.088977  -0.037700   0.158540
+    1SOL     O4    4   0.017054   0.067402  -0.194844
+    1SOL     H5    5  -0.008063   0.036056  -0.281729
+    1SOL     H6    6  -0.051365   0.130037  -0.171224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067399  -0.182384  -0.063993
+    0SOL     H2    2   0.101951  -0.223776  -0.143083
+    0SOL     H3    3   0.107230  -0.231256   0.008030
+    1SOL     O4    4  -0.068056   0.191177   0.060438
+    1SOL     H5    5  -0.048984   0.100554   0.084646
+    1SOL     H6    6  -0.146976   0.213142   0.109951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070161  -0.180325  -0.089483
+    0SOL     H2    2  -0.015117  -0.181866  -0.046037
+    0SOL     H3    3   0.130642  -0.216915  -0.024941
+    1SOL     O4    4  -0.066753   0.182461   0.078056
+    1SOL     H5    5  -0.122609   0.242582   0.127330
+    1SOL     H6    6  -0.047245   0.111866   0.139684
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101030  -0.085135  -0.172977
+    0SOL     H2    2   0.058627  -0.004973  -0.142346
+    0SOL     H3    3   0.182256  -0.090084  -0.122578
+    1SOL     O4    4  -0.099143   0.084793   0.163383
+    1SOL     H5    5  -0.152578   0.122165   0.233457
+    1SOL     H6    6  -0.108993  -0.009871   0.173575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126612   0.082337  -0.160406
+    0SOL     H2    2   0.199197   0.124073  -0.114018
+    0SOL     H3    3   0.089095   0.021635  -0.096608
+    1SOL     O4    4  -0.132935  -0.083702   0.150862
+    1SOL     H5    5  -0.057628  -0.123781   0.194277
+    1SOL     H6    6  -0.121499   0.010292   0.164886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043209  -0.177962   0.118258
+    0SOL     H2    2  -0.057662  -0.136072   0.203103
+    0SOL     H3    3   0.051798  -0.188008   0.112327
+    1SOL     O4    4   0.034202   0.176643  -0.127928
+    1SOL     H5    5   0.031203   0.204074  -0.036272
+    1SOL     H6    6   0.121045   0.137808  -0.138527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146793   0.062541   0.156357
+    0SOL     H2    2  -0.076034   0.099105   0.209446
+    0SOL     H3    3  -0.117209   0.073651   0.066004
+    1SOL     O4    4   0.140358  -0.066753  -0.148384
+    1SOL     H5    5   0.171950  -0.123755  -0.218491
+    1SOL     H6    6   0.129977   0.018864  -0.189909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.186261  -0.107379  -0.055823
+    0SOL     H2    2  -0.155105  -0.195086  -0.033483
+    0SOL     H3    3  -0.154323  -0.092512  -0.144824
+    1SOL     O4    4   0.183526   0.108690   0.053439
+    1SOL     H5    5   0.169400   0.203180   0.059292
+    1SOL     H6    6   0.181911   0.078511   0.144263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.078564   0.174910   0.121816
+    0SOL     H2    2  -0.038324   0.088062   0.121103
+    0SOL     H3    3  -0.022089   0.227060   0.178854
+    1SOL     O4    4   0.065580  -0.171700  -0.125169
+    1SOL     H5    5   0.108395  -0.256738  -0.135047
+    1SOL     H6    6   0.137716  -0.109087  -0.118978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076244  -0.134400  -0.180719
+    0SOL     H2    2  -0.000835  -0.101833  -0.229864
+    0SOL     H3    3  -0.147378  -0.074519  -0.203445
+    1SOL     O4    4   0.079537   0.126874   0.190519
+    1SOL     H5    5   0.107094   0.130423   0.098920
+    1SOL     H6    6  -0.006920   0.167948   0.191179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028621   0.221244  -0.092907
+    0SOL     H2    2   0.041950   0.251777  -0.149915
+    0SOL     H3    3  -0.108867   0.242505  -0.140561
+    1SOL     O4    4   0.028957  -0.229659   0.095486
+    1SOL     H5    5  -0.034721  -0.205142   0.162615
+    1SOL     H6    6   0.094427  -0.159872   0.097882
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.226474  -0.102911   0.021427
+    0SOL     H2    2  -0.183976  -0.185440   0.044775
+    0SOL     H3    3  -0.199431  -0.041770   0.089931
+    1SOL     O4    4   0.216984   0.107188  -0.024405
+    1SOL     H5    5   0.296142   0.145382  -0.062319
+    1SOL     H6    6   0.238455   0.014717  -0.012144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.127222  -0.098960  -0.189453
+    0SOL     H2    2   0.057714  -0.097742  -0.123655
+    0SOL     H3    3   0.103561  -0.170872  -0.248029
+    1SOL     O4    4  -0.126416   0.097632   0.188924
+    1SOL     H5    5  -0.112356   0.161760   0.258582
+    1SOL     H6    6  -0.066947   0.124739   0.118988
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.235017   0.074595  -0.068081
+    0SOL     H2    2   0.186248   0.064036  -0.149766
+    0SOL     H3    3   0.176666   0.125358  -0.011684
+    1SOL     O4    4  -0.224672  -0.079823   0.065570
+    1SOL     H5    5  -0.212853  -0.023578   0.142114
+    1SOL     H6    6  -0.319519  -0.084241   0.053450
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.135204   0.206367   0.008656
+    0SOL     H2    2  -0.212559   0.258986  -0.011588
+    0SOL     H3    3  -0.091188   0.254399   0.078783
+    1SOL     O4    4   0.137477  -0.216126  -0.015969
+    1SOL     H5    5   0.086344  -0.135353  -0.011138
+    1SOL     H6    6   0.185277  -0.219263   0.066903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.206200   0.061816  -0.127713
+    0SOL     H2    2   0.268004   0.037524  -0.058775
+    0SOL     H3    3   0.216895   0.156454  -0.137276
+    1SOL     O4    4  -0.211185  -0.063462   0.117473
+    1SOL     H5    5  -0.133477  -0.066305   0.173292
+    1SOL     H6    6  -0.280047  -0.104066   0.170119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.254296   0.033449  -0.036709
+    0SOL     H2    2   0.219282  -0.027601   0.028170
+    0SOL     H3    3   0.214995   0.117728  -0.014021
+    1SOL     O4    4  -0.252258  -0.031388   0.026723
+    1SOL     H5    5  -0.258419  -0.016061   0.121006
+    1SOL     H6    6  -0.201139  -0.111925   0.018791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.088906   0.118914  -0.228080
+    0SOL     H2    2  -0.058131   0.175785  -0.298656
+    0SOL     H3    3  -0.080157   0.172019  -0.148924
+    1SOL     O4    4   0.086033  -0.119716   0.224155
+    1SOL     H5    5   0.020830  -0.157409   0.283232
+    1SOL     H6    6   0.159523  -0.180967   0.227302
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126077   0.241924   0.061733
+    0SOL     H2    2   0.031173   0.229795   0.058839
+    0SOL     H3    3   0.157665   0.170848   0.117525
+    1SOL     O4    4  -0.127962  -0.234319  -0.061114
+    1SOL     H5    5  -0.123591  -0.264797  -0.151747
+    1SOL     H6    6  -0.043543  -0.259053  -0.023380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.034641   0.272034  -0.046538
+    0SOL     H2    2  -0.019027   0.235716   0.040637
+    0SOL     H3    3   0.051909   0.299239  -0.077056
+    1SOL     O4    4   0.034486  -0.275422   0.040685
+    1SOL     H5    5  -0.055307  -0.264925   0.009232
+    1SOL     H6    6   0.041579  -0.214183   0.113910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.205523  -0.010507  -0.183402
+    0SOL     H2    2   0.273704   0.002967  -0.249221
+    0SOL     H3    3   0.253274  -0.020091  -0.100999
+    1SOL     O4    4  -0.216311   0.008381   0.178864
+    1SOL     H5    5  -0.207612   0.091869   0.224867
+    1SOL     H6    6  -0.137157  -0.040177   0.202086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.124447  -0.190959   0.184293
+    0SOL     H2    2  -0.059010  -0.127643   0.154775
+    0SOL     H3    3  -0.099903  -0.272760   0.141066
+    1SOL     O4    4   0.115784   0.188392  -0.183781
+    1SOL     H5    5   0.091145   0.254594  -0.119186
+    1SOL     H6    6   0.211477   0.190404  -0.184904
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.271722  -0.146723  -0.019567
+    0SOL     H2    2  -0.176786  -0.146053  -0.007361
+    0SOL     H3    3  -0.284772  -0.112833  -0.108130
+    1SOL     O4    4   0.268742   0.142581   0.018812
+    1SOL     H5    5   0.252184   0.095719   0.100617
+    1SOL     H6    6   0.242754   0.232855   0.037184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.150885  -0.255256  -0.064777
+    0SOL     H2    2  -0.150887  -0.323912   0.001922
+    0SOL     H3    3  -0.241488  -0.251578  -0.095434
+    1SOL     O4    4   0.150845   0.258144   0.061341
+    1SOL     H5    5   0.189268   0.253918   0.148909
+    1SOL     H6    6   0.224210   0.280285   0.003986
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.142722  -0.274369  -0.013708
+    0SOL     H2    2   0.202126  -0.348709  -0.003365
+    0SOL     H3    3   0.162697  -0.217194   0.060416
+    1SOL     O4    4  -0.146231   0.274470   0.002796
+    1SOL     H5    5  -0.134166   0.208791   0.071374
+    1SOL     H6    6  -0.165163   0.355451   0.050187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.028158   0.198784   0.245014
+    0SOL     H2    2   0.039055   0.150933   0.327196
+    0SOL     H3    3   0.116374   0.203611   0.208176
+    1SOL     O4    4  -0.030206  -0.200969  -0.250246
+    1SOL     H5    5  -0.108691  -0.151096  -0.272942
+    1SOL     H6    6  -0.005755  -0.169025  -0.163390
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.249207  -0.101480  -0.214142
+    0SOL     H2    2  -0.251430  -0.167021  -0.283869
+    0SOL     H3    3  -0.218566  -0.149384  -0.137145
+    1SOL     O4    4   0.245343   0.106038   0.218829
+    1SOL     H5    5   0.302223   0.057185   0.159328
+    1SOL     H6    6   0.231536   0.190114   0.175207
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.325479   0.132973  -0.041012
+    0SOL     H2    2  -0.341307   0.145965   0.052492
+    0SOL     H3    3  -0.412702   0.133609  -0.080433
+    1SOL     O4    4   0.327758  -0.137970   0.037164
+    1SOL     H5    5   0.368890  -0.112023   0.119609
+    1SOL     H6    6   0.355105  -0.070926  -0.025442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.222508   0.116594  -0.269191
+    0SOL     H2    2  -0.229490   0.071604  -0.184992
+    0SOL     H3    3  -0.129069   0.114479  -0.289855
+    1SOL     O4    4   0.216392  -0.116460   0.259121
+    1SOL     H5    5   0.298367  -0.094744   0.303515
+    1SOL     H6    6   0.148031  -0.090196   0.320759
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.067485   0.304766   0.229563
+    0SOL     H2    2  -0.117351   0.350448   0.297304
+    0SOL     H3    3  -0.068374   0.213026   0.256865
+    1SOL     O4    4   0.071989  -0.297521  -0.239356
+    1SOL     H5    5   0.092854  -0.301613  -0.146028
+    1SOL     H6    6   0.023801  -0.378379  -0.256742
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.093180   0.178223  -0.341858
+    0SOL     H2    2  -0.060140   0.247642  -0.284835
+    0SOL     H3    3  -0.065358   0.097049  -0.299444
+    1SOL     O4    4   0.089445  -0.171477   0.337485
+    1SOL     H5    5   0.163210  -0.232348   0.333509
+    1SOL     H6    6   0.015099  -0.221650   0.304054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.250250   0.099613   0.279602
+    0SOL     H2    2  -0.316847   0.039252   0.246681
+    0SOL     H3    3  -0.240605   0.076624   0.372018
+    1SOL     O4    4   0.253815  -0.101207  -0.284408
+    1SOL     H5    5   0.325947  -0.046724  -0.252928
+    1SOL     H6    6   0.180140  -0.040737  -0.293221
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.046481   0.412611  -0.050205
+    0SOL     H2    2  -0.048676   0.408585  -0.040658
+    0SOL     H3    3   0.063864   0.371513  -0.134887
+    1SOL     O4    4  -0.044242  -0.408577   0.047585
+    1SOL     H5    5  -0.095959  -0.459387   0.110083
+    1SOL     H6    6   0.036732  -0.388212   0.094392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.298246  -0.181703   0.256160
+    0SOL     H2    2   0.323249  -0.119188   0.188123
+    0SOL     H3    3   0.368770  -0.246423   0.256373
+    1SOL     O4    4  -0.300120   0.185094  -0.256304
+    1SOL     H5    5  -0.276117   0.111272  -0.200299
+    1SOL     H6    6  -0.392744   0.200316  -0.237560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.231370  -0.299588  -0.208472
+    0SOL     H2    2   0.240851  -0.266378  -0.297744
+    0SOL     H3    3   0.315150  -0.341844  -0.189561
+    1SOL     O4    4  -0.231649   0.302184   0.208438
+    1SOL     H5    5  -0.301546   0.348735   0.254369
+    1SOL     H6    6  -0.242091   0.210848   0.235105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.318055  -0.139093  -0.283327
+    0SOL     H2    2  -0.382659  -0.068543  -0.279969
+    0SOL     H3    3  -0.236408  -0.098257  -0.254541
+    1SOL     O4    4   0.315421   0.138878   0.278638
+    1SOL     H5    5   0.374489   0.071220   0.245537
+    1SOL     H6    6   0.292307   0.109534   0.366768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009335  -0.328635   0.313125
+    0SOL     H2    2  -0.028762  -0.339151   0.219989
+    0SOL     H3    3  -0.080650  -0.374236   0.357814
+    1SOL     O4    4   0.015855   0.331610  -0.303938
+    1SOL     H5    5  -0.072138   0.339140  -0.340857
+    1SOL     H6    6   0.073185   0.323027  -0.380108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.317807  -0.337581   0.055838
+    0SOL     H2    2   0.341585  -0.426175   0.083188
+    0SOL     H3    3   0.340240  -0.334341  -0.037160
+    1SOL     O4    4  -0.321043   0.346498  -0.047341
+    1SOL     H5    5  -0.323537   0.250861  -0.044204
+    1SOL     H6    6  -0.305447   0.367087  -0.139511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.456303   0.038679   0.267409
+    0SOL     H2    2   0.450395   0.041461   0.171912
+    0SOL     H3    3   0.366978   0.020241   0.296453
+    1SOL     O4    4  -0.455972  -0.038960  -0.259117
+    1SOL     H5    5  -0.447242  -0.084453  -0.342882
+    1SOL     H6    6  -0.383954   0.024088  -0.258428
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.008670  -0.284762   0.452640
+    0SOL     H2    2   0.043579  -0.364563   0.460646
+    0SOL     H3    3  -0.091845  -0.314162   0.415493
+    1SOL     O4    4   0.008877   0.295246  -0.454993
+    1SOL     H5    5  -0.044802   0.240233  -0.397945
+    1SOL     H6    6   0.098093   0.262886  -0.442519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.077846  -0.307595  -0.435667
+    0SOL     H2    2   0.005624  -0.274948  -0.402063
+    0SOL     H3    3  -0.058244  -0.336261  -0.524865
+    1SOL     O4    4   0.068842   0.305461   0.445061
+    1SOL     H5    5   0.096846   0.249657   0.372507
+    1SOL     H6    6   0.092203   0.394117   0.417551
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/610K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.109691  -0.553931   0.246374
+    0SOL     H2    2  -0.187536  -0.596460   0.282343
+    0SOL     H3    3  -0.049512  -0.625958   0.227588
+    1SOL     O4    4   0.113078   0.556560  -0.242711
+    1SOL     H5    5   0.128865   0.547629  -0.336697
+    1SOL     H6    6   0.047047   0.625524  -0.235914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.009174   0.124880  -0.000756
+    0SOL     H2    2   0.065374   0.184534  -0.007569
+    0SOL     H3    3  -0.085441   0.182389   0.005436
+    1SOL     O4    4   0.010628  -0.135126  -0.004921
+    1SOL     H5    5  -0.002010  -0.040438   0.001133
+    1SOL     H6    6   0.002077  -0.166288   0.085180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119624   0.039488  -0.023996
+    0SOL     H2    2  -0.107793   0.121630   0.023702
+    0SOL     H3    3  -0.152274   0.066131  -0.109941
+    1SOL     O4    4   0.126242  -0.048214   0.023342
+    1SOL     H5    5   0.036594  -0.070114  -0.002072
+    1SOL     H6    6   0.116245   0.012883   0.096345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.025051   0.064104  -0.108891
+    0SOL     H2    2  -0.068898   0.082394  -0.110122
+    0SOL     H3    3   0.063546   0.132556  -0.163615
+    1SOL     O4    4  -0.020202  -0.068524   0.117847
+    1SOL     H5    5   0.025327  -0.036367   0.040031
+    1SOL     H6    6  -0.099710  -0.109594   0.083876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.044019   0.109734  -0.050126
+    0SOL     H2    2  -0.009417   0.184308  -0.077430
+    0SOL     H3    3   0.120500   0.149106  -0.008138
+    1SOL     O4    4  -0.050582  -0.119385   0.052399
+    1SOL     H5    5  -0.038132  -0.024501   0.054462
+    1SOL     H6    6   0.025766  -0.152587   0.005166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.071940  -0.082584  -0.073812
+    0SOL     H2    2   0.115072  -0.152579  -0.024795
+    0SOL     H3    3   0.130443  -0.065385  -0.147595
+    1SOL     O4    4  -0.076444   0.091248   0.078011
+    1SOL     H5    5  -0.011084   0.032735   0.039715
+    1SOL     H6    6  -0.158937   0.043283   0.070492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066938   0.109775   0.024416
+    0SOL     H2    2   0.094087   0.175422  -0.039738
+    0SOL     H3    3   0.099131   0.143259   0.108110
+    1SOL     O4    4  -0.076559  -0.116845  -0.028118
+    1SOL     H5    5  -0.028367  -0.035384  -0.013834
+    1SOL     H6    6  -0.017556  -0.185431   0.003138
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017146  -0.058731  -0.120651
+    0SOL     H2    2  -0.072071  -0.102607  -0.055686
+    0SOL     H3    3  -0.005564  -0.123630  -0.190050
+    1SOL     O4    4   0.024358   0.067529   0.125475
+    1SOL     H5    5  -0.070334   0.057110   0.134808
+    1SOL     H6    6   0.043172   0.037403   0.036589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040521   0.112600   0.062325
+    0SOL     H2    2  -0.003949   0.176894   0.001570
+    0SOL     H3    3  -0.124984   0.149422   0.088257
+    1SOL     O4    4   0.048858  -0.115892  -0.062648
+    1SOL     H5    5   0.012385  -0.203802  -0.072836
+    1SOL     H6    6  -0.018002  -0.067658  -0.014012
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.090859   0.092043  -0.061670
+    0SOL     H2    2   0.142563   0.062241  -0.136508
+    0SOL     H3    3   0.037720   0.016191  -0.037482
+    1SOL     O4    4  -0.086732  -0.085914   0.059902
+    1SOL     H5    5  -0.096824  -0.156718   0.123520
+    1SOL     H6    6  -0.153201  -0.021673   0.084747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.124070   0.029061   0.048048
+    0SOL     H2    2   0.194047   0.061559  -0.008604
+    0SOL     H3    3   0.111922   0.098120   0.113207
+    1SOL     O4    4  -0.132242  -0.040231  -0.048221
+    1SOL     H5    5  -0.133612   0.033975  -0.108668
+    1SOL     H6    6  -0.050907  -0.029513   0.001095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064379   0.055248  -0.109707
+    0SOL     H2    2  -0.085521  -0.002097  -0.183375
+    0SOL     H3    3   0.008088   0.109205  -0.141324
+    1SOL     O4    4   0.062460  -0.059406   0.114623
+    1SOL     H5    5   0.012403  -0.034822   0.192419
+    1SOL     H6    6   0.080171   0.023552   0.070276
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085591  -0.116096  -0.002983
+    0SOL     H2    2   0.126592  -0.074782  -0.078972
+    0SOL     H3    3   0.000657  -0.146416  -0.035064
+    1SOL     O4    4  -0.084696   0.119046   0.003889
+    1SOL     H5    5  -0.022971   0.046120   0.009737
+    1SOL     H6    6  -0.118704   0.128894   0.092820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.132378   0.061011   0.004875
+    0SOL     H2    2  -0.041557   0.033802   0.018051
+    0SOL     H3    3  -0.161191   0.091009   0.091085
+    1SOL     O4    4   0.123081  -0.057351  -0.008876
+    1SOL     H5    5   0.198650  -0.028704  -0.060168
+    1SOL     H6    6   0.146248  -0.145318   0.020913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.120502   0.062747  -0.056669
+    0SOL     H2    2   0.159868   0.121972   0.007402
+    0SOL     H3    3   0.040622   0.031273  -0.014350
+    1SOL     O4    4  -0.118145  -0.059700   0.044451
+    1SOL     H5    5  -0.049979  -0.125913   0.055923
+    1SOL     H6    6  -0.173246  -0.068253   0.122252
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.135482  -0.016033   0.045136
+    0SOL     H2    2   0.165530  -0.087204  -0.011380
+    0SOL     H3    3   0.143344   0.062532  -0.008977
+    1SOL     O4    4  -0.138364   0.016644  -0.046426
+    1SOL     H5    5  -0.205142  -0.005843   0.018361
+    1SOL     H6    6  -0.057289   0.023357   0.004014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104929   0.070830   0.079122
+    0SOL     H2    2  -0.101955   0.163347   0.054748
+    0SOL     H3    3  -0.014490   0.040757   0.070248
+    1SOL     O4    4   0.104826  -0.070484  -0.078074
+    1SOL     H5    5   0.097755  -0.159110  -0.042611
+    1SOL     H6    6   0.015052  -0.046657  -0.101206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.119563   0.034676  -0.088736
+    0SOL     H2    2   0.030547   0.002735  -0.073964
+    0SOL     H3    3   0.137860   0.090540  -0.013193
+    1SOL     O4    4  -0.111977  -0.031732   0.079508
+    1SOL     H5    5  -0.177162  -0.095062   0.049465
+    1SOL     H6    6  -0.110569  -0.042047   0.174660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074027  -0.016696  -0.126446
+    0SOL     H2    2   0.160280  -0.048803  -0.152752
+    0SOL     H3    3   0.082362   0.000377  -0.032631
+    1SOL     O4    4  -0.075907   0.012263   0.121870
+    1SOL     H5    5  -0.068561   0.065060   0.201374
+    1SOL     H6    6  -0.139912   0.058780   0.068001
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.002150  -0.140894  -0.020669
+    0SOL     H2    2   0.052118  -0.146147  -0.099344
+    0SOL     H3    3   0.022756  -0.217637   0.030833
+    1SOL     O4    4   0.001715   0.148503   0.018740
+    1SOL     H5    5  -0.026838   0.173705   0.106557
+    1SOL     H6    6  -0.054517   0.074608  -0.004495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022811  -0.138498  -0.027753
+    0SOL     H2    2  -0.023493  -0.234181  -0.030330
+    0SOL     H3    3  -0.039357  -0.111936  -0.118213
+    1SOL     O4    4   0.022506   0.145080   0.026599
+    1SOL     H5    5  -0.019260   0.066829   0.062582
+    1SOL     H6    6   0.083174   0.173494   0.094969
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031235   0.114850   0.081880
+    0SOL     H2    2   0.099647   0.090441   0.144221
+    0SOL     H3    3   0.070309   0.184834   0.029556
+    1SOL     O4    4  -0.041948  -0.118036  -0.086926
+    1SOL     H5    5  -0.034786  -0.049230  -0.020769
+    1SOL     H6    6   0.033426  -0.174786  -0.070787
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.000910  -0.083037   0.128582
+    0SOL     H2    2   0.012709  -0.031392   0.049149
+    0SOL     H3    3  -0.092062  -0.111756   0.123201
+    1SOL     O4    4   0.003005   0.076866  -0.119989
+    1SOL     H5    5   0.001554   0.170319  -0.099330
+    1SOL     H6    6   0.044826   0.071937  -0.205948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.109761  -0.014259   0.089955
+    0SOL     H2    2   0.157818  -0.088972   0.054308
+    0SOL     H3    3   0.148315   0.000046   0.176392
+    1SOL     O4    4  -0.113418   0.022377  -0.098707
+    1SOL     H5    5  -0.054688  -0.012608  -0.031705
+    1SOL     H6    6  -0.199820  -0.011140  -0.074758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039965  -0.148610   0.006678
+    0SOL     H2    2   0.017727  -0.172172   0.079334
+    0SOL     H3    3  -0.042349  -0.052929   0.007983
+    1SOL     O4    4   0.035567   0.137027  -0.009352
+    1SOL     H5    5  -0.024349   0.207797  -0.033097
+    1SOL     H6    6   0.121543   0.178864  -0.004863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103028  -0.005976   0.114469
+    0SOL     H2    2  -0.053679  -0.087362   0.104311
+    0SOL     H3    3  -0.037401   0.058856   0.140006
+    1SOL     O4    4   0.102243   0.004657  -0.114023
+    1SOL     H5    5   0.080944   0.076035  -0.174138
+    1SOL     H6    6   0.017330  -0.026371  -0.082566
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.116566  -0.063489   0.056990
+    0SOL     H2    2   0.199494  -0.066419   0.009275
+    0SOL     H3    3   0.127505  -0.126704   0.128028
+    1SOL     O4    4  -0.127945   0.065330  -0.060520
+    1SOL     H5    5  -0.058892   0.020514  -0.011677
+    1SOL     H6    6  -0.091496   0.151708  -0.079824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.051943   0.059619   0.119897
+    0SOL     H2    2  -0.118346   0.128468   0.123477
+    0SOL     H3    3  -0.010514   0.061725   0.206161
+    1SOL     O4    4   0.055378  -0.065152  -0.132035
+    1SOL     H5    5   0.102198  -0.089241  -0.052098
+    1SOL     H6    6  -0.025128  -0.023626  -0.101105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089771  -0.036046  -0.123383
+    0SOL     H2    2  -0.043732  -0.008091  -0.044255
+    0SOL     H3    3  -0.020953  -0.070559  -0.180262
+    1SOL     O4    4   0.079579   0.035599   0.116662
+    1SOL     H5    5   0.110410  -0.028719   0.180498
+    1SOL     H6    6   0.115555   0.118876   0.147206
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084856  -0.015124  -0.123557
+    0SOL     H2    2   0.133807  -0.028639  -0.042419
+    0SOL     H3    3   0.137882   0.046959  -0.173519
+    1SOL     O4    4  -0.089377   0.009887   0.127890
+    1SOL     H5    5  -0.085564  -0.038441   0.045354
+    1SOL     H6    6  -0.120100   0.097122   0.103224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.014575   0.115606  -0.107787
+    0SOL     H2    2  -0.058173   0.073521  -0.153601
+    0SOL     H3    3   0.003370   0.089923  -0.016261
+    1SOL     O4    4  -0.010668  -0.106017   0.102294
+    1SOL     H5    5   0.071359  -0.149656   0.125305
+    1SOL     H6    6  -0.078988  -0.164758   0.134607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.057503  -0.072437   0.128337
+    0SOL     H2    2   0.019024  -0.089961   0.183098
+    0SOL     H3    3  -0.024689  -0.015472   0.058762
+    1SOL     O4    4   0.046300   0.069324  -0.127133
+    1SOL     H5    5   0.091935   0.151740  -0.110181
+    1SOL     H6    6   0.114760   0.009841  -0.157747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021253   0.102477   0.113855
+    0SOL     H2    2   0.116071   0.093634   0.123531
+    0SOL     H3    3  -0.015071   0.033358   0.169220
+    1SOL     O4    4  -0.020754  -0.101445  -0.120899
+    1SOL     H5    5   0.002955  -0.028830  -0.063217
+    1SOL     H6    6  -0.116274  -0.097875  -0.125956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.085165  -0.069649  -0.118328
+    0SOL     H2    2  -0.136508  -0.124976  -0.059464
+    0SOL     H3    3  -0.037398  -0.010540  -0.060131
+    1SOL     O4    4   0.082295   0.074465   0.107501
+    1SOL     H5    5   0.152269   0.013433   0.084241
+    1SOL     H6    6   0.058970   0.051118   0.197352
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.035714   0.110375   0.099381
+    0SOL     H2    2   0.006223   0.095199   0.184077
+    0SOL     H3    3  -0.000274   0.194204   0.069732
+    1SOL     O4    4   0.033866  -0.116837  -0.098148
+    1SOL     H5    5  -0.029192  -0.044825  -0.098388
+    1SOL     H6    6   0.043240  -0.140836  -0.190335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.123834   0.042147   0.096279
+    0SOL     H2    2  -0.046091   0.097974   0.097591
+    0SOL     H3    3  -0.090648  -0.044678   0.073422
+    1SOL     O4    4   0.113605  -0.044388  -0.092907
+    1SOL     H5    5   0.165858   0.019083  -0.043882
+    1SOL     H6    6   0.147498  -0.039443  -0.182289
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.015793  -0.139496  -0.069785
+    0SOL     H2    2  -0.051438  -0.203551  -0.046566
+    0SOL     H3    3  -0.027627  -0.080340  -0.131247
+    1SOL     O4    4  -0.011399   0.142348   0.065989
+    1SOL     H5    5  -0.002442   0.184124   0.151644
+    1SOL     H6    6   0.011768   0.050764   0.081415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126317  -0.103124  -0.006884
+    0SOL     H2    2   0.084229  -0.018186  -0.020166
+    0SOL     H3    3   0.201558  -0.084124   0.049153
+    1SOL     O4    4  -0.123614   0.092449   0.003690
+    1SOL     H5    5  -0.202210   0.118339  -0.044422
+    1SOL     H6    6  -0.113984   0.159194   0.071622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.059590   0.145421   0.024682
+    0SOL     H2    2  -0.116134   0.220681   0.042035
+    0SOL     H3    3   0.016391   0.158926   0.081310
+    1SOL     O4    4   0.063096  -0.154079  -0.028526
+    1SOL     H5    5  -0.029831  -0.173338  -0.016038
+    1SOL     H6    6   0.066135  -0.059724  -0.044344
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.111315  -0.103044  -0.074040
+    0SOL     H2    2   0.061670  -0.042480  -0.018999
+    0SOL     H3    3   0.064340  -0.103687  -0.157438
+    1SOL     O4    4  -0.105017   0.101411   0.069751
+    1SOL     H5    5  -0.164999   0.035548   0.104773
+    1SOL     H6    6  -0.056529   0.132732   0.146107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021869   0.060970   0.160772
+    0SOL     H2    2  -0.041590   0.017945   0.103464
+    0SOL     H3    3  -0.031374   0.102654   0.228521
+    1SOL     O4    4  -0.009995  -0.064812  -0.161792
+    1SOL     H5    5  -0.083912  -0.060754  -0.101111
+    1SOL     H6    6  -0.026121   0.006098  -0.224033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.063416   0.106335  -0.113592
+    0SOL     H2    2   0.138050   0.166248  -0.115218
+    0SOL     H3    3  -0.007258   0.154878  -0.156148
+    1SOL     O4    4  -0.064117  -0.106752   0.119191
+    1SOL     H5    5   0.011196  -0.132466   0.066002
+    1SOL     H6    6  -0.123088  -0.182048   0.115281
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.149044   0.060886   0.049874
+    0SOL     H2    2  -0.215983   0.117931   0.012094
+    0SOL     H3    3  -0.128496   0.100738   0.134443
+    1SOL     O4    4   0.156654  -0.070254  -0.055931
+    1SOL     H5    5   0.170402  -0.029213   0.029445
+    1SOL     H6    6   0.065699  -0.050073  -0.077891
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.012893   0.034881   0.173930
+    0SOL     H2    2   0.066533  -0.014297   0.111748
+    0SOL     H3    3  -0.055932  -0.026351   0.199929
+    1SOL     O4    4  -0.016595  -0.023265  -0.173177
+    1SOL     H5    5  -0.034094  -0.112694  -0.143879
+    1SOL     H6    6   0.078715  -0.018718  -0.180779
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.081395   0.114615   0.114491
+    0SOL     H2    2  -0.006349   0.171433   0.131870
+    0SOL     H3    3  -0.056400   0.065016   0.036533
+    1SOL     O4    4   0.074405  -0.108742  -0.109026
+    1SOL     H5    5   0.067061  -0.150708  -0.194742
+    1SOL     H6    6   0.096325  -0.180134  -0.049151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035914  -0.026907   0.167027
+    0SOL     H2    2   0.049140  -0.041289   0.260731
+    0SOL     H3    3  -0.058575  -0.035695   0.154499
+    1SOL     O4    4  -0.036402   0.023211  -0.173800
+    1SOL     H5    5   0.007765   0.033870  -0.089550
+    1SOL     H6    6  -0.003958   0.095692  -0.227244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066300  -0.137569  -0.078575
+    0SOL     H2    2   0.139656  -0.194568  -0.101649
+    0SOL     H3    3  -0.009384  -0.177190  -0.121754
+    1SOL     O4    4  -0.065968   0.146256   0.086560
+    1SOL     H5    5   0.013399   0.110479   0.046770
+    1SOL     H6    6  -0.137549   0.108627   0.035349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.152310   0.097052  -0.035771
+    0SOL     H2    2   0.076249   0.133560  -0.080987
+    0SOL     H3    3   0.117846   0.021721   0.012184
+    1SOL     O4    4  -0.141300  -0.097685   0.039576
+    1SOL     H5    5  -0.163305  -0.120810  -0.050664
+    1SOL     H6    6  -0.199443  -0.024576   0.060475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.109816  -0.048119  -0.134444
+    0SOL     H2    2  -0.122714   0.045788  -0.121120
+    0SOL     H3    3  -0.179150  -0.089408  -0.082962
+    1SOL     O4    4   0.121645   0.045856   0.130009
+    1SOL     H5    5   0.060085   0.098833   0.180666
+    1SOL     H6    6   0.067507  -0.022247   0.090091
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116237   0.032280   0.143195
+    0SOL     H2    2  -0.131389   0.005278   0.052621
+    0SOL     H3    3  -0.052543  -0.030822   0.176714
+    1SOL     O4    4   0.109236  -0.024327  -0.134462
+    1SOL     H5    5   0.141752  -0.112888  -0.150646
+    1SOL     H6    6   0.140215   0.026665  -0.209311
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016093   0.104902   0.153404
+    0SOL     H2    2  -0.043216   0.179642   0.145747
+    0SOL     H3    3   0.015354   0.064682   0.066548
+    1SOL     O4    4  -0.007382  -0.110806  -0.145172
+    1SOL     H5    5  -0.002543  -0.025957  -0.189213
+    1SOL     H6    6  -0.100558  -0.132728  -0.145485
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.101570   0.153148   0.012594
+    0SOL     H2    2   0.187659   0.192658  -0.001190
+    0SOL     H3    3   0.044951   0.226620   0.036227
+    1SOL     O4    4  -0.102872  -0.163475  -0.007709
+    1SOL     H5    5  -0.102547  -0.070034  -0.028469
+    1SOL     H6    6  -0.117619  -0.206697  -0.091833
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106018   0.019152   0.165801
+    0SOL     H2    2   0.138950  -0.070529   0.159868
+    0SOL     H3    3   0.059154   0.033003   0.083496
+    1SOL     O4    4  -0.107412  -0.008916  -0.156758
+    1SOL     H5    5  -0.130080  -0.100913  -0.143155
+    1SOL     H6    6  -0.045976  -0.009937  -0.230154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.164071   0.093259   0.049974
+    0SOL     H2    2   0.223692   0.018686   0.043158
+    0SOL     H3    3   0.122664   0.098831  -0.036147
+    1SOL     O4    4  -0.169914  -0.084839  -0.048268
+    1SOL     H5    5  -0.116372  -0.066627   0.028959
+    1SOL     H6    6  -0.148812  -0.175317  -0.071307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.181167  -0.035647  -0.035998
+    0SOL     H2    2   0.216868   0.025450   0.028461
+    0SOL     H3    3   0.246055  -0.105837  -0.041044
+    1SOL     O4    4  -0.193449   0.036446   0.035504
+    1SOL     H5    5  -0.145064  -0.039259   0.002489
+    1SOL     H6    6  -0.132974   0.109926   0.025219
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033141   0.099156  -0.166061
+    0SOL     H2    2   0.098505   0.068947  -0.102996
+    0SOL     H3    3   0.003446   0.183295  -0.131405
+    1SOL     O4    4  -0.035658  -0.099470   0.167474
+    1SOL     H5    5  -0.053509  -0.048101   0.088704
+    1SOL     H6    6  -0.007311  -0.184775   0.134582
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.083700   0.141761   0.111167
+    0SOL     H2    2   0.013792   0.080146   0.089281
+    0SOL     H3    3   0.047248   0.195392   0.181574
+    1SOL     O4    4  -0.075737  -0.136973  -0.110383
+    1SOL     H5    5  -0.147595  -0.195553  -0.086566
+    1SOL     H6    6  -0.050466  -0.164577  -0.198483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.107837  -0.010314  -0.172708
+    0SOL     H2    2   0.070408  -0.077707  -0.229450
+    0SOL     H3    3   0.038995   0.055780  -0.165312
+    1SOL     O4    4  -0.096905   0.014165   0.178133
+    1SOL     H5    5  -0.189280   0.019185   0.202710
+    1SOL     H6    6  -0.093974  -0.052221   0.109238
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.200120  -0.021178  -0.016276
+    0SOL     H2    2   0.240284  -0.017257   0.070522
+    0SOL     H3    3   0.262713  -0.070300  -0.069487
+    1SOL     O4    4  -0.207778   0.017624   0.015802
+    1SOL     H5    5  -0.219666   0.056524  -0.070846
+    1SOL     H6    6  -0.172262   0.088604   0.069307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.167156   0.124534   0.052677
+    0SOL     H2    2   0.079308   0.143195   0.019558
+    0SOL     H3    3   0.223450   0.129306  -0.024593
+    1SOL     O4    4  -0.162027  -0.121177  -0.050102
+    1SOL     H5    5  -0.218143  -0.102240   0.025096
+    1SOL     H6    6  -0.163423  -0.216587  -0.057665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.046581   0.142269  -0.148438
+    0SOL     H2    2  -0.070756   0.228595  -0.181991
+    0SOL     H3    3  -0.007527   0.097439  -0.223454
+    1SOL     O4    4   0.048215  -0.149903   0.154855
+    1SOL     H5    5  -0.001145  -0.114685   0.080791
+    1SOL     H6    6   0.050049  -0.078515   0.218594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110159   0.085192   0.161990
+    0SOL     H2    2  -0.121331   0.156760   0.224564
+    0SOL     H3    3  -0.171628   0.017908   0.191260
+    1SOL     O4    4   0.108748  -0.087129  -0.164304
+    1SOL     H5    5   0.170485  -0.018219  -0.139765
+    1SOL     H6    6   0.146796  -0.126614  -0.242761
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.176801   0.059824  -0.113196
+    0SOL     H2    2   0.252282   0.029713  -0.163776
+    0SOL     H3    3   0.182781   0.012093  -0.030441
+    1SOL     O4    4  -0.184901  -0.051507   0.114748
+    1SOL     H5    5  -0.213726  -0.121619   0.056303
+    1SOL     H6    6  -0.089375  -0.053132   0.108888
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146615  -0.126501   0.101850
+    0SOL     H2    2  -0.161844  -0.202820   0.046120
+    0SOL     H3    3  -0.226780  -0.074768   0.094130
+    1SOL     O4    4   0.154545   0.130901  -0.093879
+    1SOL     H5    5   0.088139   0.062888  -0.082616
+    1SOL     H6    6   0.161581   0.142109  -0.188680
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.084977  -0.155495  -0.135242
+    0SOL     H2    2   0.017995  -0.121572  -0.194613
+    0SOL     H3    3   0.037252  -0.213348  -0.075763
+    1SOL     O4    4  -0.074144   0.155166   0.131006
+    1SOL     H5    5  -0.070122   0.137661   0.225025
+    1SOL     H6    6  -0.155942   0.203422   0.119057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.013723   0.121145  -0.196983
+    0SOL     H2    2   0.061217   0.074021  -0.160572
+    0SOL     H3    3  -0.079924   0.117977  -0.127920
+    1SOL     O4    4   0.006790  -0.118385   0.190271
+    1SOL     H5    5   0.066420  -0.043523   0.191808
+    1SOL     H6    6   0.062066  -0.193539   0.211689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.067825   0.212618  -0.036210
+    0SOL     H2    2   0.154908   0.213190  -0.075940
+    0SOL     H3    3   0.008207   0.196314  -0.109300
+    1SOL     O4    4  -0.070272  -0.207834   0.037940
+    1SOL     H5    5  -0.053879  -0.178210   0.127472
+    1SOL     H6    6  -0.077550  -0.303008   0.045106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.185630   0.139472   0.058997
+    0SOL     H2    2  -0.168828   0.190186  -0.020427
+    0SOL     H3    3  -0.273003   0.102632   0.045913
+    1SOL     O4    4   0.186546  -0.136795  -0.059803
+    1SOL     H5    5   0.249540  -0.208830  -0.062058
+    1SOL     H6    6   0.172049  -0.120500   0.033399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010133  -0.198832  -0.137759
+    0SOL     H2    2  -0.032514  -0.200230  -0.230815
+    0SOL     H3    3  -0.090042  -0.169023  -0.094303
+    1SOL     O4    4   0.015269   0.192293   0.143343
+    1SOL     H5    5   0.085033   0.219239   0.083600
+    1SOL     H6    6  -0.046561   0.265360   0.142547
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054851   0.175860   0.156254
+    0SOL     H2    2  -0.026698   0.214010   0.188758
+    0SOL     H3    3   0.082319   0.115529   0.225305
+    1SOL     O4    4  -0.045115  -0.177276  -0.162746
+    1SOL     H5    5  -0.070962  -0.085783  -0.151635
+    1SOL     H6    6  -0.127782  -0.225486  -0.164808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.144481  -0.051199  -0.197271
+    0SOL     H2    2   0.068672  -0.058351  -0.255273
+    0SOL     H3    3   0.107032  -0.046414  -0.109310
+    1SOL     O4    4  -0.140934   0.046270   0.191244
+    1SOL     H5    5  -0.182624   0.131374   0.204720
+    1SOL     H6    6  -0.062729   0.048859   0.246376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.175001   0.120278   0.114811
+    0SOL     H2    2   0.259591   0.103678   0.073203
+    0SOL     H3    3   0.193533   0.186700   0.181196
+    1SOL     O4    4  -0.180048  -0.128688  -0.117374
+    1SOL     H5    5  -0.201727  -0.055982  -0.175737
+    1SOL     H6    6  -0.156638  -0.086814  -0.034544
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.074044  -0.094039   0.215535
+    0SOL     H2    2  -0.001063  -0.049098   0.258155
+    0SOL     H3    3  -0.094068  -0.167567   0.273457
+    1SOL     O4    4   0.073747   0.094552  -0.226303
+    1SOL     H5    5   0.116211   0.131897  -0.149073
+    1SOL     H6    6  -0.017961   0.084531  -0.200778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.080213   0.021611   0.238695
+    0SOL     H2    2  -0.018313  -0.051082   0.245510
+    0SOL     H3    3  -0.038020   0.093546   0.285678
+    1SOL     O4    4   0.068302  -0.018017  -0.240097
+    1SOL     H5    5   0.081012  -0.099366  -0.288915
+    1SOL     H6    6   0.156571   0.008515  -0.214272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.175240   0.113937  -0.162160
+    0SOL     H2    2   0.125313   0.195595  -0.163455
+    0SOL     H3    3   0.109288   0.045319  -0.172367
+    1SOL     O4    4  -0.167129  -0.119602   0.157483
+    1SOL     H5    5  -0.141608  -0.126585   0.249473
+    1SOL     H6    6  -0.213480  -0.036052   0.151712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.066353  -0.065389  -0.262126
+    0SOL     H2    2  -0.081584   0.029093  -0.264017
+    0SOL     H3    3   0.017751  -0.077028  -0.306323
+    1SOL     O4    4   0.056424   0.058746   0.268730
+    1SOL     H5    5   0.097097   0.011750   0.195933
+    1SOL     H6    6   0.110286   0.137096   0.279800
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.068361   0.080106   0.266475
+    0SOL     H2    2   0.025233   0.165168   0.258306
+    0SOL     H3    3  -0.002995   0.018525   0.283163
+    1SOL     O4    4  -0.063727  -0.087477  -0.267491
+    1SOL     H5    5  -0.030177  -0.027188  -0.333838
+    1SOL     H6    6  -0.077966  -0.032702  -0.190295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.031121   0.220882  -0.195451
+    0SOL     H2    2   0.003965   0.307093  -0.217790
+    0SOL     H3    3   0.038790   0.178737  -0.145465
+    1SOL     O4    4   0.018932  -0.225684   0.192053
+    1SOL     H5    5   0.103547  -0.263316   0.167836
+    1SOL     H6    6   0.040835  -0.152541   0.249783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010405  -0.295373  -0.047035
+    0SOL     H2    2   0.022928  -0.363198   0.011711
+    0SOL     H3    3  -0.018944  -0.339086  -0.131761
+    1SOL     O4    4   0.003909   0.304468   0.053032
+    1SOL     H5    5   0.050004   0.353408  -0.015103
+    1SOL     H6    6   0.038122   0.215358   0.045886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.180955   0.250362   0.008516
+    0SOL     H2    2  -0.137183   0.182737  -0.043187
+    0SOL     H3    3  -0.216702   0.310875  -0.056466
+    1SOL     O4    4   0.179640  -0.243175  -0.000422
+    1SOL     H5    5   0.237667  -0.281032  -0.066468
+    1SOL     H6    6   0.133095  -0.318233   0.036487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.129423   0.216096  -0.192249
+    0SOL     H2    2   0.069390   0.246214  -0.124049
+    0SOL     H3    3   0.172667   0.295746  -0.223041
+    1SOL     O4    4  -0.131834  -0.228050   0.192132
+    1SOL     H5    5  -0.067571  -0.175845   0.240165
+    1SOL     H6    6  -0.134454  -0.188616   0.104952
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.306576  -0.105453   0.027850
+    0SOL     H2    2  -0.343386  -0.175974  -0.025386
+    0SOL     H3    3  -0.343204  -0.119653   0.115137
+    1SOL     O4    4   0.311754   0.110405  -0.035763
+    1SOL     H5    5   0.329292   0.043535   0.030442
+    1SOL     H6    6   0.271666   0.182425   0.012903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.094444  -0.194913   0.308593
+    0SOL     H2    2  -0.020463  -0.134814   0.299802
+    0SOL     H3    3  -0.152923  -0.152012   0.371059
+    1SOL     O4    4   0.095630   0.192939  -0.305712
+    1SOL     H5    5   0.147497   0.141070  -0.367208
+    1SOL     H6    6   0.005628   0.184567  -0.337207
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096743  -0.109044  -0.346165
+    0SOL     H2    2  -0.118676  -0.026321  -0.389039
+    0SOL     H3    3  -0.071608  -0.167297  -0.417839
+    1SOL     O4    4   0.099787   0.110113   0.348198
+    1SOL     H5    5   0.052510   0.026924   0.345588
+    1SOL     H6    6   0.085764   0.142908   0.437025
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.367411  -0.078695  -0.026148
+    0SOL     H2    2  -0.435027  -0.049445  -0.087262
+    0SOL     H3    3  -0.415806  -0.121353   0.044566
+    1SOL     O4    4   0.370309   0.082226   0.030062
+    1SOL     H5    5   0.363338  -0.010386   0.006894
+    1SOL     H6    6   0.438261   0.116446  -0.028023
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113129  -0.353200  -0.114993
+    0SOL     H2    2   0.167195  -0.280782  -0.083454
+    0SOL     H3    3   0.096146  -0.332244  -0.206834
+    1SOL     O4    4  -0.121640   0.349956   0.120130
+    1SOL     H5    5  -0.093522   0.296323   0.046001
+    1SOL     H6    6  -0.040666   0.370898   0.166681
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027402   0.357881   0.147679
+    0SOL     H2    2  -0.048427   0.312685   0.110671
+    0SOL     H3    3   0.011395   0.358291   0.242050
+    1SOL     O4    4  -0.028230  -0.350645  -0.150710
+    1SOL     H5    5   0.001236  -0.409460  -0.220243
+    1SOL     H6    6   0.030366  -0.369032  -0.077289
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.200112  -0.115747   0.332232
+    0SOL     H2    2   0.139935  -0.044031   0.352178
+    0SOL     H3    3   0.149979  -0.173965   0.275137
+    1SOL     O4    4  -0.199190   0.110629  -0.329959
+    1SOL     H5    5  -0.134899   0.116280  -0.400648
+    1SOL     H6    6  -0.170202   0.175585  -0.265906
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.338685  -0.130536   0.170093
+    0SOL     H2    2   0.422567  -0.160145   0.134745
+    0SOL     H3    3   0.326769  -0.182005   0.249913
+    1SOL     O4    4  -0.343286   0.130800  -0.166644
+    1SOL     H5    5  -0.280346   0.201694  -0.179866
+    1SOL     H6    6  -0.393842   0.128129  -0.247880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.014515   0.417956   0.097830
+    0SOL     H2    2  -0.023705   0.397765   0.190944
+    0SOL     H3    3  -0.072476   0.355695   0.053938
+    1SOL     O4    4   0.014007  -0.416903  -0.099394
+    1SOL     H5    5   0.028962  -0.378182  -0.185645
+    1SOL     H6    6   0.083984  -0.381297  -0.044642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/620K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.019150   0.134546   0.410747
+    0SOL     H2    2  -0.004018   0.149116   0.504133
+    0SOL     H3    3   0.063921   0.099988   0.378079
+    1SOL     O4    4   0.010026  -0.135692  -0.411031
+    1SOL     H5    5   0.055537  -0.053825  -0.391314
+    1SOL     H6    6   0.059142  -0.173486  -0.483980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.043168  -0.018593  -0.129399
+    0SOL     H2    2   0.008361  -0.009713  -0.049223
+    0SOL     H3    3   0.018868  -0.051920  -0.194230
+    1SOL     O4    4   0.041247   0.016646   0.126403
+    1SOL     H5    5   0.037142   0.111618   0.137619
+    1SOL     H6    6  -0.046013  -0.014199   0.150829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102571  -0.004283   0.078468
+    0SOL     H2    2   0.174185   0.050354   0.110850
+    0SOL     H3    3   0.100948  -0.079371   0.137810
+    1SOL     O4    4  -0.111896   0.003601  -0.083983
+    1SOL     H5    5  -0.045895   0.010228  -0.014974
+    1SOL     H6    6  -0.069261   0.040048  -0.161548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.079560  -0.020572   0.111568
+    0SOL     H2    2  -0.001930  -0.049816   0.063812
+    0SOL     H3    3  -0.145919  -0.086831   0.092374
+    1SOL     O4    4   0.081453   0.024621  -0.101354
+    1SOL     H5    5  -0.000539   0.071868  -0.115756
+    1SOL     H6    6   0.114059   0.005762  -0.189351
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.113578  -0.001816   0.063422
+    0SOL     H2    2   0.195044   0.047757   0.071670
+    0SOL     H3    3   0.113366  -0.060402   0.139119
+    1SOL     O4    4  -0.120623  -0.000551  -0.073811
+    1SOL     H5    5  -0.171349   0.037538  -0.002129
+    1SOL     H6    6  -0.029341   0.014666  -0.049348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.027667  -0.088910  -0.100821
+    0SOL     H2    2   0.076036  -0.169446  -0.119171
+    0SOL     H3    3   0.093302  -0.019525  -0.107150
+    1SOL     O4    4  -0.035287   0.092070   0.107553
+    1SOL     H5    5  -0.012859   0.000770   0.089561
+    1SOL     H6    6  -0.008430   0.139352   0.028779
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028497  -0.127833   0.064283
+    0SOL     H2    2  -0.041672  -0.038011   0.033941
+    0SOL     H3    3   0.063778  -0.145921   0.046377
+    1SOL     O4    4   0.029396   0.122629  -0.058073
+    1SOL     H5    5   0.031986   0.130608  -0.153425
+    1SOL     H6    6  -0.062397   0.137298  -0.035247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126197   0.056716  -0.047682
+    0SOL     H2    2   0.169877   0.036834   0.035138
+    0SOL     H3    3   0.044201   0.007468  -0.043996
+    1SOL     O4    4  -0.120129  -0.046994   0.039389
+    1SOL     H5    5  -0.109413  -0.076640   0.129769
+    1SOL     H6    6  -0.186766  -0.105155   0.002795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114005  -0.064463   0.068610
+    0SOL     H2    2  -0.034065  -0.085797   0.020477
+    0SOL     H3    3  -0.133754   0.025779   0.043537
+    1SOL     O4    4   0.113338   0.055810  -0.060793
+    1SOL     H5    5   0.069358   0.052034  -0.145727
+    1SOL     H6    6   0.102620   0.146538  -0.032230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.122481  -0.014724   0.070496
+    0SOL     H2    2   0.213743  -0.041344   0.059317
+    0SOL     H3    3   0.085429  -0.018426  -0.017684
+    1SOL     O4    4  -0.124136   0.012035  -0.070018
+    1SOL     H5    5  -0.173207  -0.006536   0.010041
+    1SOL     H6    6  -0.096592   0.103229  -0.060674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.040944  -0.113340  -0.078630
+    0SOL     H2    2  -0.075775  -0.157391  -0.001115
+    0SOL     H3    3  -0.102751  -0.042257  -0.095641
+    1SOL     O4    4   0.043419   0.115827   0.080322
+    1SOL     H5    5  -0.005749   0.080412   0.006223
+    1SOL     H6    6   0.132768   0.084095   0.067202
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.126133   0.040067  -0.053776
+    0SOL     H2    2   0.118500   0.132464  -0.077584
+    0SOL     H3    3   0.150053   0.041062   0.038901
+    1SOL     O4    4  -0.130933  -0.040177   0.051058
+    1SOL     H5    5  -0.038159  -0.051008   0.071986
+    1SOL     H6    6  -0.154592  -0.120465   0.004621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076387  -0.086366   0.075289
+    0SOL     H2    2  -0.061714  -0.157809   0.137280
+    0SOL     H3    3  -0.161634  -0.050416   0.099842
+    1SOL     O4    4   0.081009   0.093765  -0.078248
+    1SOL     H5    5   0.027768   0.022255  -0.043405
+    1SOL     H6    6   0.119307   0.058284  -0.158476
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112770   0.066215   0.067900
+    0SOL     H2    2   0.093261   0.158385   0.084822
+    0SOL     H3    3   0.050110   0.040443   0.000284
+    1SOL     O4    4  -0.103850  -0.068034  -0.060019
+    1SOL     H5    5  -0.175341  -0.024739  -0.106677
+    1SOL     H6    6  -0.099585  -0.155558  -0.098536
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.134917  -0.020844  -0.041946
+    0SOL     H2    2   0.137980  -0.115870  -0.053039
+    0SOL     H3    3   0.114430   0.012851  -0.129165
+    1SOL     O4    4  -0.139425   0.026311   0.046549
+    1SOL     H5    5  -0.110264   0.033930   0.137400
+    1SOL     H6    6  -0.062285  -0.004684  -0.000896
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.054267   0.007188   0.133922
+    0SOL     H2    2  -0.019418   0.062804   0.108630
+    0SOL     H3    3   0.123938   0.068658   0.156939
+    1SOL     O4    4  -0.050061  -0.011061  -0.138341
+    1SOL     H5    5  -0.030027  -0.025006  -0.045785
+    1SOL     H6    6  -0.135915  -0.051548  -0.150677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.062854  -0.102938   0.084543
+    0SOL     H2    2   0.000888  -0.041808   0.047634
+    0SOL     H3    3  -0.009837  -0.168061   0.130483
+    1SOL     O4    4   0.062207   0.103290  -0.079688
+    1SOL     H5    5   0.057009   0.052566  -0.160696
+    1SOL     H6    6  -0.020504   0.151336  -0.076108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096456  -0.078858  -0.061284
+    0SOL     H2    2  -0.140697  -0.022575  -0.124824
+    0SOL     H3    3  -0.145075  -0.161258  -0.064268
+    1SOL     O4    4   0.100583   0.086348   0.065654
+    1SOL     H5    5   0.183930   0.039280   0.065205
+    1SOL     H6    6   0.034846   0.018911   0.048529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.104711   0.061716   0.072726
+    0SOL     H2    2  -0.035951   0.042221   0.136399
+    0SOL     H3    3  -0.184117   0.071252   0.125318
+    1SOL     O4    4   0.108415  -0.058526  -0.072849
+    1SOL     H5    5   0.026694  -0.032586  -0.115407
+    1SOL     H6    6   0.142067  -0.129918  -0.127006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.091952  -0.118021  -0.034261
+    0SOL     H2    2  -0.125370  -0.069086  -0.109434
+    0SOL     H3    3  -0.045077  -0.052855   0.017879
+    1SOL     O4    4   0.085633   0.108180   0.035960
+    1SOL     H5    5   0.164745   0.101150   0.089385
+    1SOL     H6    6   0.105282   0.177544  -0.027006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.001182   0.099716  -0.116853
+    0SOL     H2    2  -0.027269   0.019863  -0.072396
+    0SOL     H3    3   0.006219   0.165368  -0.047378
+    1SOL     O4    4  -0.003410  -0.101370   0.105260
+    1SOL     H5    5   0.090735  -0.100946   0.122546
+    1SOL     H6    6  -0.042132  -0.059695   0.182241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.006291   0.052722  -0.144470
+    0SOL     H2    2   0.026183   0.038990  -0.051852
+    0SOL     H3    3  -0.083220   0.020431  -0.154834
+    1SOL     O4    4  -0.004215  -0.045023   0.136797
+    1SOL     H5    5   0.064419  -0.033995   0.202602
+    1SOL     H6    6  -0.021613  -0.139143   0.135807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.120833   0.049672   0.069712
+    0SOL     H2    2  -0.117946   0.116866   0.001603
+    0SOL     H3    3  -0.193079  -0.007571   0.043905
+    1SOL     O4    4   0.125267  -0.055855  -0.068492
+    1SOL     H5    5   0.155860   0.033742  -0.082590
+    1SOL     H6    6   0.078858  -0.052485   0.015157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089257   0.078667  -0.096186
+    0SOL     H2    2  -0.069318  -0.009112  -0.128738
+    0SOL     H3    3  -0.135857   0.063743  -0.013918
+    1SOL     O4    4   0.083999  -0.074249   0.092501
+    1SOL     H5    5   0.157744  -0.122056   0.130426
+    1SOL     H6    6   0.121685   0.008740   0.063262
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.116966   0.088869  -0.041516
+    0SOL     H2    2  -0.050526   0.021641  -0.026405
+    0SOL     H3    3  -0.179950   0.047522  -0.100556
+    1SOL     O4    4   0.114125  -0.087178   0.041198
+    1SOL     H5    5   0.185993  -0.028983   0.016485
+    1SOL     H6    6   0.085656  -0.055146   0.126789
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.100681   0.033907   0.113912
+    0SOL     H2    2  -0.123562   0.028924   0.021101
+    0SOL     H3    3  -0.017690  -0.013298   0.120737
+    1SOL     O4    4   0.096020  -0.035055  -0.104254
+    1SOL     H5    5   0.076545   0.058158  -0.113971
+    1SOL     H6    6   0.141220  -0.058699  -0.185248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.050095   0.141175  -0.048606
+    0SOL     H2    2   0.005981   0.128647  -0.125162
+    0SOL     H3    3  -0.056471   0.054246  -0.009045
+    1SOL     O4    4   0.045848  -0.130642   0.046549
+    1SOL     H5    5   0.126595  -0.181353   0.054954
+    1SOL     H6    6  -0.008449  -0.159652   0.119847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000192  -0.117518   0.090205
+    0SOL     H2    2  -0.034503  -0.160725   0.012156
+    0SOL     H3    3   0.050103  -0.185691   0.135190
+    1SOL     O4    4   0.000204   0.125827  -0.094968
+    1SOL     H5    5  -0.070276   0.157538  -0.038493
+    1SOL     H6    6   0.047164   0.062043  -0.041221
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064104   0.079714   0.120090
+    0SOL     H2    2   0.051482   0.163576   0.075704
+    0SOL     H3    3   0.038183   0.014152   0.055344
+    1SOL     O4    4  -0.061814  -0.080109  -0.106415
+    1SOL     H5    5  -0.135044  -0.092341  -0.166830
+    1SOL     H6    6   0.014765  -0.070844  -0.163090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.041195  -0.023985  -0.152281
+    0SOL     H2    2   0.046879  -0.060600  -0.160320
+    0SOL     H3    3  -0.054730  -0.014503  -0.057998
+    1SOL     O4    4   0.039667   0.023304   0.141080
+    1SOL     H5    5   0.077417   0.046822   0.225839
+    1SOL     H6    6  -0.053910   0.040971   0.150752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.033773  -0.076653  -0.132464
+    0SOL     H2    2  -0.057060  -0.059879  -0.107360
+    0SOL     H3    3   0.060781  -0.150015  -0.077228
+    1SOL     O4    4  -0.033369   0.080122   0.131157
+    1SOL     H5    5   0.023519   0.006122   0.109943
+    1SOL     H6    6  -0.007055   0.148918   0.070026
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.049094   0.139963   0.052145
+    0SOL     H2    2  -0.047559   0.055854   0.097815
+    0SOL     H3    3  -0.140802   0.152306   0.027660
+    1SOL     O4    4   0.047819  -0.135659  -0.054680
+    1SOL     H5    5   0.100893  -0.213464  -0.037598
+    1SOL     H6    6   0.109541  -0.062735  -0.048780
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.130165  -0.077837   0.035022
+    0SOL     H2    2   0.200183  -0.020679   0.003514
+    0SOL     H3    3   0.172761  -0.162368   0.049242
+    1SOL     O4    4  -0.133225   0.084954  -0.035808
+    1SOL     H5    5  -0.208252   0.039972  -0.074665
+    1SOL     H6    6  -0.103191   0.026099   0.033448
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.024370   0.135876   0.093298
+    0SOL     H2    2   0.056202   0.131383   0.144778
+    0SOL     H3    3  -0.015064   0.066459   0.028052
+    1SOL     O4    4   0.016530  -0.126820  -0.094807
+    1SOL     H5    5   0.108690  -0.148212  -0.109340
+    1SOL     H6    6  -0.015427  -0.196255  -0.037189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079124  -0.097060  -0.107805
+    0SOL     H2    2  -0.012998  -0.121365  -0.117027
+    0SOL     H3    3   0.106256  -0.136780  -0.025049
+    1SOL     O4    4  -0.070410   0.097591   0.101263
+    1SOL     H5    5  -0.142280   0.130289   0.047153
+    1SOL     H6    6  -0.096267   0.118889   0.190930
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.146511   0.067313   0.055684
+    0SOL     H2    2  -0.082719   0.128217   0.018487
+    0SOL     H3    3  -0.111193  -0.019440   0.035967
+    1SOL     O4    4   0.135292  -0.066583  -0.048286
+    1SOL     H5    5   0.204482  -0.001326  -0.037491
+    1SOL     H6    6   0.155806  -0.109821  -0.131184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.019494  -0.056024  -0.155647
+    0SOL     H2    2   0.112196  -0.049341  -0.178537
+    0SOL     H3    3  -0.002247   0.029426  -0.118392
+    1SOL     O4    4  -0.029405   0.053737   0.156307
+    1SOL     H5    5  -0.022947  -0.036632   0.125420
+    1SOL     H6    6   0.061276   0.084008   0.161074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.099028   0.136527  -0.053744
+    0SOL     H2    2  -0.130001   0.157799   0.034293
+    0SOL     H3    3  -0.062108   0.048590  -0.045601
+    1SOL     O4    4   0.091357  -0.133335   0.047213
+    1SOL     H5    5   0.140336  -0.153795   0.126867
+    1SOL     H6    6   0.157840  -0.103455  -0.014831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.148061  -0.079293   0.050227
+    0SOL     H2    2   0.055004  -0.057330   0.054751
+    0SOL     H3    3   0.149749  -0.174210   0.037978
+    1SOL     O4    4  -0.140043   0.083926  -0.044780
+    1SOL     H5    5  -0.177194   0.004860  -0.083904
+    1SOL     H6    6  -0.161175   0.153637  -0.106879
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140627  -0.082951   0.044565
+    0SOL     H2    2  -0.097272  -0.130394   0.115501
+    0SOL     H3    3  -0.233230  -0.105347   0.053802
+    1SOL     O4    4   0.149320   0.084537  -0.043824
+    1SOL     H5    5   0.057085   0.059734  -0.050145
+    1SOL     H6    6   0.162608   0.146107  -0.115899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.142173  -0.090815   0.043910
+    0SOL     H2    2   0.185733  -0.008980   0.020077
+    0SOL     H3    3   0.181799  -0.115655   0.127427
+    1SOL     O4    4  -0.149284   0.088323  -0.055065
+    1SOL     H5    5  -0.106080   0.017733  -0.006974
+    1SOL     H6    6  -0.155767   0.159938   0.008113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.163836  -0.054551  -0.020732
+    0SOL     H2    2   0.167356  -0.146304   0.006312
+    0SOL     H3    3   0.194057  -0.055125  -0.111554
+    1SOL     O4    4  -0.172697   0.058024   0.023580
+    1SOL     H5    5  -0.101743   0.001141   0.053449
+    1SOL     H6    6  -0.130688   0.142602   0.007955
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.064460  -0.163180  -0.037290
+    0SOL     H2    2   0.024437  -0.195328  -0.022249
+    0SOL     H3    3  -0.064617  -0.134951  -0.128753
+    1SOL     O4    4   0.062918   0.160420   0.044782
+    1SOL     H5    5  -0.032752   0.159307   0.041906
+    1SOL     H6    6   0.088189   0.224329  -0.021846
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.145628   0.074865  -0.062317
+    0SOL     H2    2  -0.209628   0.036729  -0.122417
+    0SOL     H3    3  -0.195151   0.091964   0.017792
+    1SOL     O4    4   0.152543  -0.078306   0.066480
+    1SOL     H5    5   0.219584  -0.016715   0.036912
+    1SOL     H6    6   0.077091  -0.060414   0.010363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.060790  -0.071002   0.153291
+    0SOL     H2    2   0.132835  -0.133062   0.142315
+    0SOL     H3    3   0.100766   0.014865   0.139467
+    1SOL     O4    4  -0.073223   0.072698  -0.153362
+    1SOL     H5    5  -0.013368   0.096723  -0.082634
+    1SOL     H6    6  -0.028362   0.002037  -0.199804
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.178599  -0.005217   0.035902
+    0SOL     H2    2   0.100087  -0.021252  -0.016453
+    0SOL     H3    3   0.240556  -0.072401   0.007444
+    1SOL     O4    4  -0.173812   0.012855  -0.036343
+    1SOL     H5    5  -0.215514   0.056449   0.037972
+    1SOL     H6    6  -0.190820  -0.080270  -0.022169
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102860   0.025617  -0.141240
+    0SOL     H2    2   0.113224   0.075178  -0.222472
+    0SOL     H3    3   0.191534  -0.002679  -0.118912
+    1SOL     O4    4  -0.113334  -0.028942   0.147135
+    1SOL     H5    5  -0.067310  -0.064236   0.070987
+    1SOL     H6    6  -0.060536   0.046086   0.174438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.170412   0.054082   0.048189
+    0SOL     H2    2   0.097384   0.053331   0.110065
+    0SOL     H3    3   0.216471  -0.028242   0.064425
+    1SOL     O4    4  -0.170267  -0.044098  -0.049981
+    1SOL     H5    5  -0.211912  -0.127935  -0.029994
+    1SOL     H6    6  -0.103689  -0.065362  -0.115384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.147893   0.089529  -0.053366
+    0SOL     H2    2   0.230275   0.120171  -0.091268
+    0SOL     H3    3   0.173551   0.018862   0.005881
+    1SOL     O4    4  -0.151979  -0.092708   0.050752
+    1SOL     H5    5  -0.113274  -0.007386   0.031143
+    1SOL     H6    6  -0.234798  -0.072100   0.094095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.136681  -0.069293   0.103770
+    0SOL     H2    2   0.144854  -0.162932   0.121858
+    0SOL     H3    3   0.066945  -0.039559   0.162209
+    1SOL     O4    4  -0.136758   0.069824  -0.113723
+    1SOL     H5    5  -0.177374   0.095121  -0.030821
+    1SOL     H6    6  -0.043146   0.084350  -0.100001
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.160257  -0.107133   0.020911
+    0SOL     H2    2   0.152616  -0.086419  -0.072229
+    0SOL     H3    3   0.070476  -0.103036   0.053850
+    1SOL     O4    4  -0.154062   0.105284  -0.023434
+    1SOL     H5    5  -0.235754   0.126290   0.021815
+    1SOL     H6    6  -0.090212   0.092939   0.046802
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.091593   0.128417   0.119677
+    0SOL     H2    2   0.038221   0.066419   0.169376
+    0SOL     H3    3   0.084029   0.099171   0.028849
+    1SOL     O4    4  -0.089197  -0.125150  -0.111665
+    1SOL     H5    5  -0.008344  -0.137268  -0.161446
+    1SOL     H6    6  -0.145479  -0.073641  -0.169471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.131424   0.072872   0.130403
+    0SOL     H2    2   0.081233  -0.007379   0.144651
+    0SOL     H3    3   0.079913   0.141301   0.173140
+    1SOL     O4    4  -0.124699  -0.079386  -0.132935
+    1SOL     H5    5  -0.202858  -0.027203  -0.114761
+    1SOL     H6    6  -0.059940  -0.015810  -0.163378
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.028355   0.173683   0.097746
+    0SOL     H2    2   0.043716   0.133875   0.146566
+    0SOL     H3    3   0.012661   0.244149   0.047600
+    1SOL     O4    4   0.027607  -0.177607  -0.096411
+    1SOL     H5    5   0.006049  -0.112536  -0.163219
+    1SOL     H6    6  -0.056290  -0.198575  -0.055376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.155098   0.085164  -0.114747
+    0SOL     H2    2   0.216909   0.014189  -0.097307
+    0SOL     H3    3   0.078470   0.063884  -0.061477
+    1SOL     O4    4  -0.147816  -0.079885   0.110199
+    1SOL     H5    5  -0.199543  -0.067777   0.189823
+    1SOL     H6    6  -0.212639  -0.096582   0.041777
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128608   0.084937  -0.148490
+    0SOL     H2    2  -0.035671   0.064204  -0.158242
+    0SOL     H3    3  -0.156205   0.035676  -0.071198
+    1SOL     O4    4   0.118655  -0.080876   0.143805
+    1SOL     H5    5   0.172439  -0.152168   0.178256
+    1SOL     H6    6   0.181274  -0.011644   0.122635
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.088332   0.182419   0.036071
+    0SOL     H2    2   0.031175   0.230357   0.096049
+    0SOL     H3    3   0.163111   0.156376   0.089850
+    1SOL     O4    4  -0.094815  -0.187226  -0.041978
+    1SOL     H5    5  -0.030446  -0.191519   0.028737
+    1SOL     H6    6  -0.060605  -0.120574  -0.101556
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.193074   0.028834   0.089858
+    0SOL     H2    2   0.227048  -0.041479   0.034504
+    0SOL     H3    3   0.115819   0.060844   0.043282
+    1SOL     O4    4  -0.191573  -0.032214  -0.080756
+    1SOL     H5    5  -0.109184   0.012488  -0.100147
+    1SOL     H6    6  -0.258632   0.021932  -0.122392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139047   0.118497  -0.103532
+    0SOL     H2    2   0.199125   0.156523  -0.167618
+    0SOL     H3    3   0.193721   0.100666  -0.027013
+    1SOL     O4    4  -0.142613  -0.123027   0.107451
+    1SOL     H5    5  -0.232492  -0.090115   0.108352
+    1SOL     H6    6  -0.109148  -0.099074   0.021030
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.168717  -0.134632   0.037241
+    0SOL     H2    2   0.236830  -0.075618   0.069494
+    0SOL     H3    3   0.093789  -0.077630   0.019956
+    1SOL     O4    4  -0.171348   0.123553  -0.042510
+    1SOL     H5    5  -0.190730   0.141387   0.049515
+    1SOL     H6    6  -0.100663   0.184287  -0.064355
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.188289  -0.039092  -0.106423
+    0SOL     H2    2   0.134666  -0.079142  -0.174854
+    0SOL     H3    3   0.198368  -0.107796  -0.040541
+    1SOL     O4    4  -0.186200   0.045950   0.113666
+    1SOL     H5    5  -0.251682  -0.006215   0.067262
+    1SOL     H6    6  -0.120186   0.066113   0.047349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.096292  -0.203834   0.033881
+    0SOL     H2    2  -0.097026  -0.129376   0.094030
+    0SOL     H3    3  -0.102665  -0.164457  -0.053132
+    1SOL     O4    4   0.093991   0.193586  -0.025972
+    1SOL     H5    5   0.121827   0.152195  -0.107668
+    1SOL     H6    6   0.109255   0.287034  -0.039997
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.038015  -0.201307   0.096603
+    0SOL     H2    2  -0.089792  -0.254546   0.036211
+    0SOL     H3    3  -0.012719  -0.124560   0.045296
+    1SOL     O4    4   0.038988   0.199217  -0.083204
+    1SOL     H5    5   0.096191   0.150982  -0.142899
+    1SOL     H6    6  -0.007581   0.261155  -0.139395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.176410  -0.137754  -0.055179
+    0SOL     H2    2   0.102326  -0.082788  -0.080726
+    0SOL     H3    3   0.206167  -0.100800   0.027955
+    1SOL     O4    4  -0.171496   0.135297   0.046116
+    1SOL     H5    5  -0.171470   0.167100   0.136398
+    1SOL     H6    6  -0.214556   0.049935   0.050753
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001719  -0.014582  -0.225543
+    0SOL     H2    2   0.072723   0.006944  -0.281734
+    0SOL     H3    3   0.036771  -0.028555  -0.139023
+    1SOL     O4    4  -0.003766   0.019521   0.224436
+    1SOL     H5    5  -0.087941  -0.025910   0.228056
+    1SOL     H6    6   0.060910  -0.050466   0.215434
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.137948   0.011960  -0.185887
+    0SOL     H2    2   0.064468  -0.042778  -0.158195
+    0SOL     H3    3   0.119818   0.097719  -0.147429
+    1SOL     O4    4  -0.136388  -0.009909   0.186894
+    1SOL     H5    5  -0.074313  -0.080108   0.206416
+    1SOL     H6    6  -0.137909  -0.005112   0.091307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070326   0.103744  -0.184650
+    0SOL     H2    2  -0.088750   0.153657  -0.264222
+    0SOL     H3    3  -0.120903   0.147859  -0.116399
+    1SOL     O4    4   0.072662  -0.102455   0.183847
+    1SOL     H5    5   0.144583  -0.158196   0.154137
+    1SOL     H6    6   0.020804  -0.158776   0.241302
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110328  -0.041816  -0.186592
+    0SOL     H2    2  -0.171879  -0.100493  -0.230533
+    0SOL     H3    3  -0.060592  -0.001538  -0.257770
+    1SOL     O4    4   0.110229   0.040419   0.188490
+    1SOL     H5    5   0.136781  -0.000050   0.271071
+    1SOL     H6    6   0.105345   0.133982   0.208094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.086824   0.161791   0.135262
+    0SOL     H2    2  -0.167111   0.125872   0.097498
+    0SOL     H3    3  -0.062908   0.233729   0.076822
+    1SOL     O4    4   0.094717  -0.164890  -0.134122
+    1SOL     H5    5   0.065367  -0.078099  -0.106403
+    1SOL     H6    6   0.032952  -0.225371  -0.093020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.075365   0.172694  -0.133046
+    0SOL     H2    2  -0.134345   0.207823  -0.199752
+    0SOL     H3    3  -0.132765   0.125507  -0.072706
+    1SOL     O4    4   0.086836  -0.170329   0.137074
+    1SOL     H5    5   0.063786  -0.257019   0.103667
+    1SOL     H6    6   0.014009  -0.114207   0.110449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.105199   0.109135  -0.192653
+    0SOL     H2    2   0.187959   0.061521  -0.185873
+    0SOL     H3    3   0.051433   0.055617  -0.251025
+    1SOL     O4    4  -0.111490  -0.102400   0.190256
+    1SOL     H5    5  -0.129746  -0.145477   0.273763
+    1SOL     H6    6  -0.017105  -0.086526   0.191570
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.103850   0.055147   0.219602
+    0SOL     H2    2   0.173790   0.120470   0.221501
+    0SOL     H3    3   0.037452   0.092752   0.161815
+    1SOL     O4    4  -0.102292  -0.056439  -0.220984
+    1SOL     H5    5  -0.045511  -0.114966  -0.170856
+    1SOL     H6    6  -0.190784  -0.077553  -0.191226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.225567  -0.114622   0.028479
+    0SOL     H2    2  -0.151744  -0.075107   0.074857
+    0SOL     H3    3  -0.221114  -0.077605  -0.059681
+    1SOL     O4    4   0.215973   0.109608  -0.022422
+    1SOL     H5    5   0.276618   0.041302  -0.051034
+    1SOL     H6    6   0.255254   0.191155  -0.053557
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.243179   0.041607   0.044608
+    0SOL     H2    2   0.305499  -0.014478   0.090793
+    0SOL     H3    3   0.168120   0.047811   0.103684
+    1SOL     O4    4  -0.246461  -0.043460  -0.046995
+    1SOL     H5    5  -0.162307  -0.056761  -0.090625
+    1SOL     H6    6  -0.266763   0.048924  -0.061669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.106490   0.073482   0.215819
+    0SOL     H2    2   0.085554   0.143932   0.277144
+    0SOL     H3    3   0.076608   0.105939   0.130872
+    1SOL     O4    4  -0.109174  -0.077935  -0.210549
+    1SOL     H5    5  -0.064655  -0.010853  -0.262322
+    1SOL     H6    6  -0.060376  -0.158328  -0.228384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.145739  -0.009172   0.206069
+    0SOL     H2    2   0.163541   0.055595   0.137873
+    0SOL     H3    3   0.204151  -0.082201   0.185644
+    1SOL     O4    4  -0.156717   0.012870  -0.200589
+    1SOL     H5    5  -0.133029  -0.079494  -0.192216
+    1SOL     H6    6  -0.074952   0.056547  -0.224443
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149732  -0.188519   0.084806
+    0SOL     H2    2   0.111279  -0.101106   0.078269
+    0SOL     H3    3   0.236450  -0.173826   0.122575
+    1SOL     O4    4  -0.153680   0.182931  -0.079926
+    1SOL     H5    5  -0.179611   0.112943  -0.139856
+    1SOL     H6    6  -0.109132   0.246857  -0.135525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.054840   0.066109  -0.237505
+    0SOL     H2    2  -0.121703   0.003115  -0.210609
+    0SOL     H3    3  -0.103547   0.134915  -0.282844
+    1SOL     O4    4   0.062231  -0.060281   0.238446
+    1SOL     H5    5   0.088065  -0.120015   0.168255
+    1SOL     H6    6   0.029709  -0.117530   0.307924
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.065734   0.208853  -0.132439
+    0SOL     H2    2   0.119253   0.282838  -0.161151
+    0SOL     H3    3  -0.019188   0.222998  -0.174277
+    1SOL     O4    4  -0.064947  -0.219435   0.137311
+    1SOL     H5    5  -0.020334  -0.160408   0.198038
+    1SOL     H6    6  -0.082956  -0.165514   0.060301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.216025   0.125967   0.097834
+    0SOL     H2    2   0.167511   0.182431   0.037664
+    0SOL     H3    3   0.258224   0.061283   0.041287
+    1SOL     O4    4  -0.211708  -0.130159  -0.093612
+    1SOL     H5    5  -0.228904  -0.112210  -0.001176
+    1SOL     H6    6  -0.264519  -0.065760  -0.140793
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.026423   0.130983  -0.226672
+    0SOL     H2    2   0.022425   0.206491  -0.193888
+    0SOL     H3    3  -0.103900   0.168757  -0.268299
+    1SOL     O4    4   0.028809  -0.132115   0.223620
+    1SOL     H5    5   0.018664  -0.224747   0.201741
+    1SOL     H6    6   0.027940  -0.129823   0.319309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.058781   0.250081  -0.076266
+    0SOL     H2    2  -0.035879   0.287149  -0.161494
+    0SOL     H3    3  -0.016675   0.308045  -0.012788
+    1SOL     O4    4   0.055950  -0.260465   0.073933
+    1SOL     H5    5   0.021671  -0.174797   0.048472
+    1SOL     H6    6   0.074735  -0.251982   0.167407
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.139655   0.171368   0.184089
+    0SOL     H2    2   0.065891   0.160552   0.244125
+    0SOL     H3    3   0.148385   0.086233   0.141214
+    1SOL     O4    4  -0.131220  -0.167336  -0.188389
+    1SOL     H5    5  -0.141095  -0.185116  -0.094855
+    1SOL     H6    6  -0.216782  -0.134227  -0.215689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.058877   0.020166  -0.289852
+    0SOL     H2    2  -0.005098  -0.001556  -0.222046
+    0SOL     H3    3   0.021445   0.095952  -0.334770
+    1SOL     O4    4  -0.060144  -0.025464   0.290113
+    1SOL     H5    5   0.018334  -0.076299   0.269637
+    1SOL     H6    6  -0.030269   0.065470   0.291044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.281843  -0.140582  -0.035341
+    0SOL     H2    2   0.246396  -0.060543   0.003383
+    0SOL     H3    3   0.362323  -0.157361   0.013687
+    1SOL     O4    4  -0.288878   0.133772   0.026884
+    1SOL     H5    5  -0.199867   0.152052  -0.003200
+    1SOL     H6    6  -0.292756   0.171573   0.114739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056614   0.130661   0.281930
+    0SOL     H2    2   0.110526   0.196792   0.238541
+    0SOL     H3    3   0.037780   0.167820   0.368109
+    1SOL     O4    4  -0.059175  -0.133727  -0.280752
+    1SOL     H5    5  -0.119866  -0.154398  -0.351827
+    1SOL     H6    6   0.019138  -0.185161  -0.300345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020788  -0.117002   0.319518
+    0SOL     H2    2   0.039187  -0.182090   0.387248
+    0SOL     H3    3   0.102983  -0.108799   0.271156
+    1SOL     O4    4  -0.032361   0.118274  -0.321372
+    1SOL     H5    5  -0.007046   0.178557  -0.251462
+    1SOL     H6    6   0.049902   0.096381  -0.365142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.010529  -0.141853   0.318455
+    0SOL     H2    2  -0.032847  -0.096794   0.237006
+    0SOL     H3    3  -0.058093  -0.093851   0.386247
+    1SOL     O4    4   0.018120   0.134556  -0.323657
+    1SOL     H5    5   0.049753   0.187904  -0.250748
+    1SOL     H6    6  -0.075061   0.122114  -0.305631
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.078192   0.210339  -0.277485
+    0SOL     H2    2   0.116538   0.215517  -0.189934
+    0SOL     H3    3  -0.013934   0.232964  -0.264711
+    1SOL     O4    4  -0.070067  -0.212242   0.274549
+    1SOL     H5    5  -0.149052  -0.166229   0.302948
+    1SOL     H6    6  -0.093629  -0.250431   0.189999
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.207498   0.276746   0.160683
+    0SOL     H2    2  -0.274677   0.305174   0.222660
+    0SOL     H3    3  -0.238899   0.192318   0.128308
+    1SOL     O4    4   0.210358  -0.276268  -0.157356
+    1SOL     H5    5   0.289334  -0.304843  -0.203276
+    1SOL     H6    6   0.186284  -0.193989  -0.199935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/630K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.074174   0.057216   0.389114
+    0SOL     H2    2   0.125074  -0.004396   0.441796
+    0SOL     H3    3   0.081968   0.140590   0.435486
+    1SOL     O4    4  -0.075322  -0.054273  -0.391744
+    1SOL     H5    5  -0.040079  -0.092036  -0.472331
+    1SOL     H6    6  -0.159817  -0.097653  -0.379863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/00/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.050332   0.091016   0.092865
+    0SOL     H2    2   0.083417   0.134182   0.014097
+    0SOL     H3    3  -0.009392   0.023774   0.060093
+    1SOL     O4    4  -0.046031  -0.091658  -0.081029
+    1SOL     H5    5  -0.009084  -0.040216  -0.152800
+    1SOL     H6    6  -0.136353  -0.108707  -0.107741
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/01/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.114816  -0.079989  -0.021652
+    0SOL     H2    2   0.122179   0.011878  -0.047507
+    0SOL     H3    3   0.023895  -0.089745   0.006639
+    1SOL     O4    4  -0.105508   0.074176   0.025429
+    1SOL     H5    5  -0.114170   0.150014  -0.032329
+    1SOL     H6    6  -0.181544   0.019707   0.005084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/02/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.004359  -0.125684  -0.026351
+    0SOL     H2    2  -0.062560  -0.149228  -0.098605
+    0SOL     H3    3   0.038954  -0.207707  -0.002719
+    1SOL     O4    4   0.004510   0.134173   0.023601
+    1SOL     H5    5  -0.024062   0.174720   0.105467
+    1SOL     H6    6   0.045138   0.051791   0.050524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/03/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.118816   0.056219  -0.045569
+    0SOL     H2    2  -0.132610   0.007720  -0.126932
+    0SOL     H3    3  -0.026160   0.080182  -0.047329
+    1SOL     O4    4   0.118081  -0.058037   0.044316
+    1SOL     H5    5   0.136106   0.025907   0.086634
+    1SOL     H6    6   0.042721  -0.093139   0.091761
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/04/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.076055  -0.108746  -0.044610
+    0SOL     H2    2  -0.006452  -0.157106  -0.089097
+    0SOL     H3    3  -0.074479  -0.021926  -0.084886
+    1SOL     O4    4   0.077139   0.109996   0.045950
+    1SOL     H5    5   0.067543   0.016304   0.063041
+    1SOL     H6    6  -0.001008   0.149559   0.084552
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/05/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.039607  -0.062967   0.108995
+    0SOL     H2    2   0.025938  -0.153287   0.080399
+    0SOL     H3    3   0.087834  -0.070889   0.191298
+    1SOL     O4    4  -0.042427   0.074633  -0.113992
+    1SOL     H5    5  -0.056013  -0.007506  -0.161225
+    1SOL     H6    6  -0.012635   0.047707  -0.027103
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/06/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.079913  -0.083143  -0.085663
+    0SOL     H2    2   0.019147  -0.027285  -0.037189
+    0SOL     H3    3   0.028328  -0.160422  -0.108667
+    1SOL     O4    4  -0.075801   0.078835   0.081178
+    1SOL     H5    5  -0.013924   0.080393   0.154193
+    1SOL     H6    6  -0.088873   0.170987   0.058829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/07/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.016637   0.078198  -0.111438
+    0SOL     H2    2   0.080674   0.007334  -0.117760
+    0SOL     H3    3   0.062377   0.155000  -0.145668
+    1SOL     O4    4  -0.027418  -0.083963   0.112566
+    1SOL     H5    5   0.027625  -0.069053   0.189444
+    1SOL     H6    6  -0.011663  -0.007886   0.056652
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/08/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128431  -0.022410   0.034187
+    0SOL     H2    2   0.165341  -0.110432   0.026973
+    0SOL     H3    3   0.171003   0.015226   0.111216
+    1SOL     O4    4  -0.138682   0.023348  -0.034734
+    1SOL     H5    5  -0.136301   0.049959  -0.126649
+    1SOL     H6    6  -0.047593   0.028740  -0.005821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/09/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.147030  -0.008853   0.000703
+    0SOL     H2    2   0.097745   0.047912   0.059958
+    0SOL     H3    3   0.080864  -0.065832  -0.038512
+    1SOL     O4    4  -0.140060   0.006481   0.003841
+    1SOL     H5    5  -0.154050  -0.037094  -0.080230
+    1SOL     H6    6  -0.139026   0.099813  -0.017382
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/10/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.044496  -0.125587   0.067467
+    0SOL     H2    2  -0.107456  -0.065167   0.028125
+    0SOL     H3    3   0.040849  -0.093992   0.037798
+    1SOL     O4    4   0.040389   0.125252  -0.060223
+    1SOL     H5    5   0.005763   0.081675  -0.138098
+    1SOL     H6    6   0.122388   0.079519  -0.041594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/11/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.070261   0.016699  -0.127208
+    0SOL     H2    2  -0.101888   0.106887  -0.132514
+    0SOL     H3    3  -0.033195   0.009401  -0.039258
+    1SOL     O4    4   0.066747  -0.019042   0.117274
+    1SOL     H5    5   0.142733  -0.077246   0.118159
+    1SOL     H6    6   0.048169  -0.002422   0.209691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/12/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020639   0.133436  -0.053030
+    0SOL     H2    2   0.050503   0.205117   0.002936
+    0SOL     H3    3   0.009947   0.059306   0.006574
+    1SOL     O4    4  -0.022683  -0.128326   0.048657
+    1SOL     H5    5   0.061878  -0.163637   0.021001
+    1SOL     H6    6  -0.084840  -0.199235   0.032204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/13/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.130330   0.047564  -0.016486
+    0SOL     H2    2  -0.138640   0.129780  -0.064795
+    0SOL     H3    3  -0.147978   0.071328   0.074543
+    1SOL     O4    4   0.135308  -0.059545   0.011621
+    1SOL     H5    5   0.174236   0.023015   0.040446
+    1SOL     H6    6   0.040998  -0.046220   0.021129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/14/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.115352   0.070557  -0.060188
+    0SOL     H2    2  -0.186532   0.006563  -0.059615
+    0SOL     H3    3  -0.037532   0.020108  -0.036496
+    1SOL     O4    4   0.110193  -0.059602   0.057803
+    1SOL     H5    5   0.184764  -0.073177  -0.000654
+    1SOL     H6    6   0.130906  -0.111439   0.135561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/15/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.144099   0.019701  -0.007427
+    0SOL     H2    2  -0.134580   0.058500   0.079558
+    0SOL     H3    3  -0.114797   0.088154  -0.067575
+    1SOL     O4    4   0.147803  -0.023644   0.004380
+    1SOL     H5    5   0.069610   0.023771   0.032663
+    1SOL     H6    6   0.122417  -0.115880   0.007608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/16/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.020103  -0.135114   0.053294
+    0SOL     H2    2  -0.072751  -0.141267   0.030872
+    0SOL     H3    3   0.065832  -0.150885  -0.029304
+    1SOL     O4    4  -0.023518   0.136873  -0.050597
+    1SOL     H5    5  -0.002447   0.082287   0.025158
+    1SOL     H6    6   0.057899   0.183258  -0.070141
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/17/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.066474  -0.104611   0.068857
+    0SOL     H2    2   0.141583  -0.138204   0.117769
+    0SOL     H3    3  -0.004406  -0.101174   0.133095
+    1SOL     O4    4  -0.070518   0.104981  -0.079338
+    1SOL     H5    5  -0.053255   0.193602  -0.047547
+    1SOL     H6    6  -0.003280   0.051036  -0.037728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/18/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047711   0.128789  -0.046210
+    0SOL     H2    2   0.063988   0.057411  -0.107874
+    0SOL     H3    3   0.118951   0.190766  -0.061892
+    1SOL     O4    4  -0.053733  -0.130818   0.045985
+    1SOL     H5    5  -0.097368  -0.050245   0.073666
+    1SOL     H6    6   0.008818  -0.149502   0.115989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/19/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.107093   0.073924  -0.079377
+    0SOL     H2    2   0.176196   0.007718  -0.081361
+    0SOL     H3    3   0.026092   0.023795  -0.069989
+    1SOL     O4    4  -0.104378  -0.067270   0.072143
+    1SOL     H5    5  -0.093574  -0.138824   0.134797
+    1SOL     H6    6  -0.151587   0.000307   0.120795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/20/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.012086   0.142530   0.006011
+    0SOL     H2    2  -0.088356   0.161450  -0.048644
+    0SOL     H3    3   0.026998   0.228208   0.023160
+    1SOL     O4    4   0.009823  -0.151815   0.000119
+    1SOL     H5    5   0.084347  -0.179848  -0.053010
+    1SOL     H6    6   0.002282  -0.057900  -0.016775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/21/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.035890   0.073659   0.132221
+    0SOL     H2    2   0.094697   0.051385   0.060055
+    0SOL     H3    3  -0.048982   0.088181   0.090410
+    1SOL     O4    4  -0.032355  -0.068012  -0.123843
+    1SOL     H5    5  -0.108326  -0.114633  -0.088955
+    1SOL     H6    6   0.000805  -0.124814  -0.193386
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/22/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.112447   0.025406  -0.097824
+    0SOL     H2    2   0.059776   0.029081  -0.017983
+    0SOL     H3    3   0.177352   0.094919  -0.086977
+    1SOL     O4    4  -0.109015  -0.030856   0.096925
+    1SOL     H5    5  -0.196601   0.007037   0.104355
+    1SOL     H6    6  -0.103533  -0.061028   0.006251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/23/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047826   0.080044  -0.116817
+    0SOL     H2    2   0.010112   0.097919  -0.030675
+    0SOL     H3    3   0.035499   0.161378  -0.165758
+    1SOL     O4    4  -0.045114  -0.081695   0.109801
+    1SOL     H5    5   0.023880  -0.142643   0.136023
+    1SOL     H6    6  -0.113538  -0.093083   0.175762
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/24/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.024005   0.045666   0.133701
+    0SOL     H2    2   0.078407   0.117837   0.165230
+    0SOL     H3    3  -0.021290   0.013862   0.211798
+    1SOL     O4    4  -0.030177  -0.052539  -0.140405
+    1SOL     H5    5   0.030022  -0.029594  -0.211200
+    1SOL     H6    6   0.000791  -0.002000  -0.065244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/25/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.047463   0.134255   0.056138
+    0SOL     H2    2  -0.000372   0.052529   0.042175
+    0SOL     H3    3  -0.019936   0.202187   0.053947
+    1SOL     O4    4  -0.040185  -0.126992  -0.054319
+    1SOL     H5    5   0.000972  -0.203436  -0.014010
+    1SOL     H6    6  -0.108344  -0.163419  -0.110796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/26/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.089242   0.114044  -0.007057
+    0SOL     H2    2   0.151941   0.099149  -0.077833
+    0SOL     H3    3   0.123307   0.190426   0.039502
+    1SOL     O4    4  -0.096061  -0.124490   0.007883
+    1SOL     H5    5  -0.164014  -0.060548   0.029242
+    1SOL     H6    6  -0.015715  -0.072866   0.001410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/27/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.052770   0.079722  -0.133778
+    0SOL     H2    2   0.118229   0.010191  -0.127225
+    0SOL     H3    3  -0.025746   0.042638  -0.093501
+    1SOL     O4    4  -0.046995  -0.070395   0.132115
+    1SOL     H5    5  -0.046056  -0.166047   0.128644
+    1SOL     H6    6  -0.139558  -0.047034   0.125142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/28/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.128539   0.078601   0.072215
+    0SOL     H2    2  -0.059275   0.090010   0.137290
+    0SOL     H3    3  -0.081959   0.065943  -0.010444
+    1SOL     O4    4   0.121754  -0.075428  -0.066358
+    1SOL     H5    5   0.110665  -0.170102  -0.075093
+    1SOL     H6    6   0.126970  -0.043465  -0.156433
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/29/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.063769  -0.010796  -0.157459
+    0SOL     H2    2  -0.129168   0.046076  -0.116828
+    0SOL     H3    3   0.018007   0.010847  -0.112665
+    1SOL     O4    4   0.059951   0.004706   0.157215
+    1SOL     H5    5   0.149555   0.038022   0.152368
+    1SOL     H6    6   0.031697  -0.001527   0.065973
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/30/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.021471  -0.097294  -0.132326
+    0SOL     H2    2  -0.041758  -0.169088  -0.135472
+    0SOL     H3    3  -0.031942  -0.018030  -0.137482
+    1SOL     O4    4  -0.022339   0.097578   0.131964
+    1SOL     H5    5   0.037375   0.033399   0.093524
+    1SOL     H6    6   0.033639   0.152705   0.186643
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/31/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.034090  -0.096931  -0.134361
+    0SOL     H2    2   0.019468  -0.011849  -0.093013
+    0SOL     H3    3   0.121846  -0.122610  -0.106046
+    1SOL     O4    4  -0.037215   0.092363   0.124257
+    1SOL     H5    5  -0.033985   0.176169   0.170392
+    1SOL     H6    6  -0.065292   0.029452   0.190712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/32/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.104152   0.082596   0.103141
+    0SOL     H2    2   0.039022   0.115399   0.041138
+    0SOL     H3    3   0.126752   0.158652   0.156687
+    1SOL     O4    4  -0.104490  -0.084498  -0.107861
+    1SOL     H5    5  -0.145766  -0.114910  -0.027030
+    1SOL     H6    6  -0.018373  -0.126285  -0.108028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/33/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.022087  -0.013697   0.172337
+    0SOL     H2    2  -0.024735  -0.105289   0.200020
+    0SOL     H3    3   0.050608  -0.009497   0.110207
+    1SOL     O4    4   0.023818   0.020405  -0.167885
+    1SOL     H5    5   0.008030  -0.064768  -0.208610
+    1SOL     H6    6  -0.060347   0.065651  -0.173478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/34/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.037502  -0.166712  -0.032702
+    0SOL     H2    2   0.007652  -0.246871   0.010260
+    0SOL     H3    3   0.021600  -0.097649   0.031638
+    1SOL     O4    4  -0.028502   0.167370   0.027639
+    1SOL     H5    5  -0.100093   0.199412   0.082505
+    1SOL     H6    6  -0.071924   0.129797  -0.048945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/35/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.103652  -0.062358  -0.115503
+    0SOL     H2    2  -0.062935  -0.061773  -0.202129
+    0SOL     H3    3  -0.189492  -0.102296  -0.129603
+    1SOL     O4    4   0.112144   0.068334   0.120830
+    1SOL     H5    5   0.104082  -0.026684   0.129134
+    1SOL     H6    6   0.021886   0.099651   0.114917
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/36/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.055113  -0.114556   0.108136
+    0SOL     H2    2   0.008371  -0.198076   0.106767
+    0SOL     H3    3   0.118866  -0.123892   0.178922
+    1SOL     O4    4  -0.062048   0.117485  -0.114280
+    1SOL     H5    5   0.001020   0.081065  -0.052163
+    1SOL     H6    6  -0.023103   0.200339  -0.142223
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/37/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.134406   0.106672   0.046807
+    0SOL     H2    2  -0.087463   0.130652  -0.033091
+    0SOL     H3    3  -0.076235   0.133713   0.117851
+    1SOL     O4    4   0.127852  -0.103713  -0.049611
+    1SOL     H5    5   0.173801  -0.121722   0.032406
+    1SOL     H6    6   0.096934  -0.189366  -0.079105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/38/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.064157   0.045550   0.160008
+    0SOL     H2    2   0.021144  -0.030961   0.121819
+    0SOL     H3    3   0.143693   0.010742   0.200315
+    1SOL     O4    4  -0.061578  -0.041744  -0.161603
+    1SOL     H5    5  -0.114868  -0.049968  -0.082515
+    1SOL     H6    6  -0.107762   0.022853  -0.215051
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/39/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.136571  -0.085254  -0.071562
+    0SOL     H2    2   0.132788  -0.080454  -0.167086
+    0SOL     H3    3   0.221096  -0.046463  -0.048912
+    1SOL     O4    4  -0.138156   0.087347   0.079210
+    1SOL     H5    5  -0.101226   0.036812   0.006790
+    1SOL     H6    6  -0.227794   0.054902   0.087860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/40/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.108160   0.115665  -0.076829
+    0SOL     H2    2   0.107463   0.199651  -0.030915
+    0SOL     H3    3   0.200541   0.090802  -0.079978
+    1SOL     O4    4  -0.116583  -0.124182   0.072104
+    1SOL     H5    5  -0.030462  -0.118659   0.113515
+    1SOL     H6    6  -0.147218  -0.033578   0.068258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/41/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.149437   0.090083  -0.058519
+    0SOL     H2    2   0.129089   0.163213  -0.116831
+    0SOL     H3    3   0.065927   0.044800  -0.046774
+    1SOL     O4    4  -0.143571  -0.090199   0.067327
+    1SOL     H5    5  -0.157872  -0.031617  -0.007009
+    1SOL     H6    6  -0.117430  -0.173317   0.027699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/42/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.137061   0.032767   0.120090
+    0SOL     H2    2  -0.135932  -0.041239   0.059392
+    0SOL     H3    3  -0.087479   0.002248   0.196068
+    1SOL     O4    4   0.128875  -0.024058  -0.117680
+    1SOL     H5    5   0.131335  -0.092474  -0.184580
+    1SOL     H6    6   0.217115   0.013036  -0.118033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/43/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.140462  -0.016000  -0.120983
+    0SOL     H2    2  -0.225093  -0.012988  -0.076366
+    0SOL     H3    3  -0.076648   0.005179  -0.052855
+    1SOL     O4    4   0.137118   0.019278   0.111130
+    1SOL     H5    5   0.123601  -0.014747   0.199572
+    1SOL     H6    6   0.220290  -0.018961   0.083157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/44/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.061002  -0.112761   0.127963
+    0SOL     H2    2   0.125495  -0.153453   0.070108
+    0SOL     H3    3   0.008422  -0.185847   0.160461
+    1SOL     O4    4  -0.057681   0.119597  -0.132046
+    1SOL     H5    5  -0.042705   0.083637  -0.044611
+    1SOL     H6    6  -0.144316   0.159971  -0.126874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/45/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.102590  -0.114470   0.096890
+    0SOL     H2    2   0.074131  -0.180911   0.159643
+    0SOL     H3    3   0.167149  -0.062409   0.144682
+    1SOL     O4    4  -0.109236   0.115745  -0.107789
+    1SOL     H5    5  -0.125381   0.132612  -0.014960
+    1SOL     H6    6  -0.016454   0.092628  -0.112198
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/46/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.059878  -0.164932   0.053451
+    0SOL     H2    2   0.140135  -0.194311   0.096555
+    0SOL     H3    3  -0.010186  -0.189513   0.113859
+    1SOL     O4    4  -0.057035   0.167769  -0.052730
+    1SOL     H5    5  -0.069073   0.093531  -0.111943
+    1SOL     H6    6  -0.092573   0.242655  -0.100599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/47/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000431  -0.126796  -0.141800
+    0SOL     H2    2   0.039339  -0.101324  -0.058135
+    0SOL     H3    3   0.069102  -0.109953  -0.206320
+    1SOL     O4    4  -0.006584   0.118215   0.139815
+    1SOL     H5    5  -0.041430   0.195609   0.095563
+    1SOL     H6    6   0.055126   0.153097   0.204138
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/48/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.186936  -0.030880  -0.040440
+    0SOL     H2    2  -0.162816  -0.099173  -0.103022
+    0SOL     H3    3  -0.103883   0.010409  -0.016781
+    1SOL     O4    4   0.181923   0.026282   0.042784
+    1SOL     H5    5   0.175907   0.090454   0.113551
+    1SOL     H6    6   0.173478   0.078016  -0.037307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/49/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.039635  -0.151012  -0.099335
+    0SOL     H2    2  -0.047285  -0.078921  -0.161838
+    0SOL     H3    3  -0.080841  -0.225378  -0.143312
+    1SOL     O4    4   0.043240   0.155091   0.110264
+    1SOL     H5    5  -0.038536   0.142773   0.062064
+    1SOL     H6    6   0.103586   0.091530   0.071784
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/50/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.128166  -0.135895   0.037010
+    0SOL     H2    2   0.194227  -0.069633   0.057197
+    0SOL     H3    3   0.076157  -0.143095   0.117044
+    1SOL     O4    4  -0.135101   0.131503  -0.042047
+    1SOL     H5    5  -0.076611   0.204728  -0.022571
+    1SOL     H6    6  -0.078956   0.066536  -0.084349
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/51/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.189334  -0.009491  -0.048698
+    0SOL     H2    2  -0.170993  -0.044947   0.038301
+    0SOL     H3    3  -0.154832  -0.075195  -0.109154
+    1SOL     O4    4   0.190632   0.011014   0.046728
+    1SOL     H5    5   0.141041   0.037820   0.124087
+    1SOL     H6    6   0.157261   0.066664  -0.023642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/52/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.070118  -0.098708  -0.150664
+    0SOL     H2    2   0.046937  -0.175316  -0.203163
+    0SOL     H3    3   0.139890  -0.129482  -0.092809
+    1SOL     O4    4  -0.072964   0.099482   0.155024
+    1SOL     H5    5   0.000731   0.158369   0.138785
+    1SOL     H6    6  -0.138853   0.125138   0.090505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/53/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.073562   0.110811   0.140518
+    0SOL     H2    2  -0.077651   0.115805   0.236020
+    0SOL     H3    3  -0.165085   0.111745   0.112498
+    1SOL     O4    4   0.082072  -0.110356  -0.149494
+    1SOL     H5    5   0.082811  -0.053290  -0.072648
+    1SOL     H6    6   0.023022  -0.181845  -0.125731
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/54/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.110497   0.163563   0.028329
+    0SOL     H2    2  -0.137621   0.183166   0.118008
+    0SOL     H3    3  -0.146324   0.076528   0.010903
+    1SOL     O4    4   0.117624  -0.162306  -0.037264
+    1SOL     H5    5   0.066734  -0.207656   0.029937
+    1SOL     H6    6   0.104803  -0.069340  -0.018420
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/55/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.056956   0.078586  -0.181061
+    0SOL     H2    2   0.143362   0.059568  -0.144528
+    0SOL     H3    3  -0.004576   0.045716  -0.115519
+    1SOL     O4    4  -0.058953  -0.071237   0.170567
+    1SOL     H5    5  -0.122117  -0.126159   0.217003
+    1SOL     H6    6   0.025836  -0.095422   0.207826
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/56/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.069435   0.094279  -0.168949
+    0SOL     H2    2   0.028133   0.023916  -0.219003
+    0SOL     H3    3   0.119837   0.049163  -0.101224
+    1SOL     O4    4  -0.064418  -0.089432   0.171958
+    1SOL     H5    5  -0.067114  -0.072280   0.077826
+    1SOL     H6    6  -0.156178  -0.088367   0.199184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/57/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.101744  -0.075673   0.171104
+    0SOL     H2    2  -0.139167  -0.143191   0.114509
+    0SOL     H3    3  -0.076609  -0.005371   0.111202
+    1SOL     O4    4   0.101072   0.069603  -0.166452
+    1SOL     H5    5   0.085641   0.149424  -0.216978
+    1SOL     H6    6   0.144606   0.099721  -0.086702
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/58/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.206964  -0.018391  -0.015906
+    0SOL     H2    2   0.280925  -0.019839  -0.076652
+    0SOL     H3    3   0.139194   0.031253  -0.061786
+    1SOL     O4    4  -0.201125   0.016149   0.020857
+    1SOL     H5    5  -0.255348  -0.061494   0.006939
+    1SOL     H6    6  -0.261466   0.081553   0.056124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/59/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.027959  -0.140342   0.150068
+    0SOL     H2    2   0.025694  -0.157426   0.072662
+    0SOL     H3    3  -0.071481  -0.223694   0.167974
+    1SOL     O4    4   0.029606   0.148454  -0.152500
+    1SOL     H5    5   0.030907   0.189129  -0.065862
+    1SOL     H6    6  -0.012002   0.063401  -0.138459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/60/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.206629   0.028149   0.017371
+    0SOL     H2    2   0.170591  -0.059335   0.031862
+    0SOL     H3    3   0.299753   0.019416   0.037716
+    1SOL     O4    4  -0.210439  -0.024403  -0.012729
+    1SOL     H5    5  -0.133320   0.014512  -0.053968
+    1SOL     H6    6  -0.269459  -0.043675  -0.085582
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/61/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.017116  -0.072367  -0.207041
+    0SOL     H2    2   0.043641  -0.058918  -0.134308
+    0SOL     H3    3  -0.091629  -0.015779  -0.186844
+    1SOL     O4    4   0.015533   0.067128   0.194581
+    1SOL     H5    5  -0.035700   0.063110   0.275335
+    1SOL     H6    6   0.103837   0.090346   0.223313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/62/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.195965  -0.059968  -0.039980
+    0SOL     H2    2  -0.276544  -0.015777  -0.013213
+    0SOL     H3    3  -0.216614  -0.097843  -0.125428
+    1SOL     O4    4   0.199894   0.059833   0.036323
+    1SOL     H5    5   0.160306   0.003293   0.102642
+    1SOL     H6    6   0.266129   0.109924   0.083927
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/63/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.162052   0.047414   0.133414
+    0SOL     H2    2   0.212550   0.096091   0.198550
+    0SOL     H3    3   0.089659   0.009071   0.182924
+    1SOL     O4    4  -0.157150  -0.042778  -0.138323
+    1SOL     H5    5  -0.140709  -0.107660  -0.206752
+    1SOL     H6    6  -0.239454  -0.070601  -0.098147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/64/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.026642  -0.153375  -0.151866
+    0SOL     H2    2   0.101915  -0.126886  -0.099001
+    0SOL     H3    3   0.037348  -0.247812  -0.163243
+    1SOL     O4    4  -0.028922   0.159409   0.155169
+    1SOL     H5    5  -0.053070   0.214538   0.080738
+    1SOL     H6    6  -0.052763   0.070747   0.128096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/65/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.118960  -0.143545   0.128327
+    0SOL     H2    2   0.103009  -0.190228   0.046300
+    0SOL     H3    3   0.051014  -0.076185   0.131209
+    1SOL     O4    4  -0.107560   0.140909  -0.127221
+    1SOL     H5    5  -0.119857   0.172832  -0.037823
+    1SOL     H6    6  -0.196349   0.126948  -0.160144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/66/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.214741   0.042131  -0.002186
+    0SOL     H2    2   0.271621   0.076436   0.066735
+    0SOL     H3    3   0.204382  -0.050596   0.019186
+    1SOL     O4    4  -0.211673  -0.041208  -0.004226
+    1SOL     H5    5  -0.297145  -0.075245  -0.030652
+    1SOL     H6    6  -0.231502   0.023584   0.063384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/67/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.119915   0.155922   0.106066
+    0SOL     H2    2  -0.036467   0.202810   0.106567
+    0SOL     H3    3  -0.102384   0.075213   0.154450
+    1SOL     O4    4   0.112268  -0.152984  -0.101985
+    1SOL     H5    5   0.192153  -0.121098  -0.143986
+    1SOL     H6    6   0.069136  -0.205627  -0.169295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/68/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.223020  -0.003029   0.049350
+    0SOL     H2    2  -0.141681   0.036807   0.080322
+    0SOL     H3    3  -0.216410   0.000012  -0.046093
+    1SOL     O4    4   0.211947   0.002443  -0.040528
+    1SOL     H5    5   0.296458   0.046137  -0.051067
+    1SOL     H6    6   0.215181  -0.071135  -0.101667
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/69/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.200793  -0.016723  -0.092179
+    0SOL     H2    2  -0.214933   0.077493  -0.101446
+    0SOL     H3    3  -0.256113  -0.056046  -0.159674
+    1SOL     O4    4   0.208558   0.014969   0.093744
+    1SOL     H5    5   0.182763   0.056301   0.176136
+    1SOL     H6    6   0.150552  -0.060746   0.085686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/70/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.009130   0.233149  -0.020492
+    0SOL     H2    2  -0.014724   0.170165   0.047526
+    0SOL     H3    3  -0.025024   0.195145  -0.101433
+    1SOL     O4    4   0.000906  -0.226222   0.025079
+    1SOL     H5    5  -0.037034  -0.178044  -0.048417
+    1SOL     H6    6  -0.065146  -0.291789   0.047452
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/71/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.061923   0.200768  -0.089469
+    0SOL     H2    2  -0.071562   0.256382  -0.012161
+    0SOL     H3    3  -0.092949   0.254946  -0.162026
+    1SOL     O4    4   0.063931  -0.207766   0.095884
+    1SOL     H5    5   0.019707  -0.144706   0.039052
+    1SOL     H6    6   0.114898  -0.262385   0.036039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/72/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.219694  -0.040130   0.095764
+    0SOL     H2    2   0.131150  -0.071950   0.078167
+    0SOL     H3    3   0.250705  -0.007511   0.011285
+    1SOL     O4    4  -0.214832   0.035296  -0.094556
+    1SOL     H5    5  -0.158477   0.102611  -0.056410
+    1SOL     H6    6  -0.301615   0.053351  -0.058429
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/73/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.213621  -0.024521   0.111172
+    0SOL     H2    2  -0.147692   0.025627   0.063205
+    0SOL     H3    3  -0.188612  -0.015277   0.203103
+    1SOL     O4    4   0.212763   0.024083  -0.112950
+    1SOL     H5    5   0.120669   0.050147  -0.114225
+    1SOL     H6    6   0.210926  -0.071054  -0.123336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/74/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.018485   0.055786  -0.241171
+    0SOL     H2    2   0.031320   0.063953  -0.159838
+    0SOL     H3    3  -0.109166   0.044350  -0.212737
+    1SOL     O4    4   0.021673  -0.057489   0.227278
+    1SOL     H5    5  -0.030652  -0.102193   0.293806
+    1SOL     H6    6   0.062082   0.015780   0.273765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/75/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.162210  -0.056505   0.192198
+    0SOL     H2    2   0.134839   0.013671   0.133135
+    0SOL     H3    3   0.175051  -0.013202   0.276591
+    1SOL     O4    4  -0.161971   0.046294  -0.189216
+    1SOL     H5    5  -0.085697   0.064230  -0.244197
+    1SOL     H6    6  -0.227430   0.110192  -0.217401
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/76/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.083597   0.248098   0.016652
+    0SOL     H2    2  -0.132101   0.267423   0.096878
+    0SOL     H3    3  -0.140943   0.189282  -0.032485
+    1SOL     O4    4   0.087952  -0.252536  -0.017062
+    1SOL     H5    5   0.086836  -0.178022   0.043012
+    1SOL     H6    6   0.115674  -0.215419  -0.100824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/77/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.031831   0.128954  -0.245332
+    0SOL     H2    2   0.009765   0.086878  -0.162235
+    0SOL     H3    3  -0.028744   0.202797  -0.251672
+    1SOL     O4    4  -0.027557  -0.130576   0.247295
+    1SOL     H5    5  -0.051874  -0.063135   0.183871
+    1SOL     H6    6   0.007201  -0.202149   0.194082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/78/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.085306   0.227202  -0.152757
+    0SOL     H2    2   0.138129   0.306823  -0.158468
+    0SOL     H3    3   0.083866   0.206000  -0.059426
+    1SOL     O4    4  -0.088486  -0.227231   0.142412
+    1SOL     H5    5  -0.116764  -0.197056   0.228737
+    1SOL     H6    6  -0.059179  -0.317203   0.156852
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/79/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.212218  -0.180439  -0.096223
+    0SOL     H2    2   0.131440  -0.135170  -0.071974
+    0SOL     H3    3   0.187097  -0.236823  -0.169381
+    1SOL     O4    4  -0.200550   0.177624   0.099670
+    1SOL     H5    5  -0.245331   0.230280   0.165884
+    1SOL     H6    6  -0.254813   0.186392   0.021306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/80/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.162762  -0.191554   0.163890
+    0SOL     H2    2   0.216797  -0.167535   0.088619
+    0SOL     H3    3   0.112381  -0.112551   0.183451
+    1SOL     O4    4  -0.159565   0.190569  -0.158658
+    1SOL     H5    5  -0.213160   0.196325  -0.237758
+    1SOL     H6    6  -0.177549   0.103261  -0.123785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/81/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.089455  -0.029567   0.281028
+    0SOL     H2    2  -0.057852  -0.043670   0.370273
+    0SOL     H3    3  -0.043240  -0.094964   0.228589
+    1SOL     O4    4   0.084710   0.033270  -0.289745
+    1SOL     H5    5   0.020836   0.019926  -0.219715
+    1SOL     H6    6   0.165561   0.056931  -0.244296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/82/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.276465  -0.137180   0.013205
+    0SOL     H2    2  -0.283002  -0.051438   0.055252
+    0SOL     H3    3  -0.190331  -0.170037   0.038964
+    1SOL     O4    4   0.270233   0.140478  -0.017066
+    1SOL     H5    5   0.340407   0.101198  -0.068978
+    1SOL     H6    6   0.235837   0.068179   0.035395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/83/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.001324   0.110395   0.282645
+    0SOL     H2    2  -0.078258   0.131752   0.335441
+    0SOL     H3    3   0.035862   0.195356   0.258954
+    1SOL     O4    4   0.000621  -0.120512  -0.289557
+    1SOL     H5    5  -0.019517  -0.036118  -0.249129
+    1SOL     H6    6   0.078851  -0.151064  -0.243634
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/84/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.082618  -0.097853  -0.296649
+    0SOL     H2    2  -0.068303  -0.179547  -0.248863
+    0SOL     H3    3  -0.139995  -0.122267  -0.369272
+    1SOL     O4    4   0.079288   0.100356   0.298764
+    1SOL     H5    5   0.162459   0.072944   0.260118
+    1SOL     H6    6   0.093650   0.191420   0.324520
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/85/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.276698  -0.186547  -0.096395
+    0SOL     H2    2   0.276563  -0.219798  -0.186155
+    0SOL     H3    3   0.268594  -0.091650  -0.105944
+    1SOL     O4    4  -0.275874   0.189579   0.101032
+    1SOL     H5    5  -0.277317   0.139322   0.182485
+    1SOL     H6    6  -0.281248   0.123515   0.031974
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/86/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.041667   0.371804   0.012065
+    0SOL     H2    2   0.096326   0.441485   0.048386
+    0SOL     H3    3  -0.046689   0.392152   0.042748
+    1SOL     O4    4  -0.038092  -0.383317  -0.013729
+    1SOL     H5    5  -0.027236  -0.342802  -0.099770
+    1SOL     H6    6  -0.074898  -0.313940   0.040993
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/87/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1  -0.114538   0.188113   0.340970
+    0SOL     H2    2  -0.089116   0.236753   0.262547
+    0SOL     H3    3  -0.101488   0.096236   0.317508
+    1SOL     O4    4   0.114605  -0.188136  -0.338801
+    1SOL     H5    5   0.135245  -0.101376  -0.304029
+    1SOL     H6    6   0.041989  -0.219046  -0.284637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/88/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.366874   0.237131  -0.014541
+    0SOL     H2    2   0.396399   0.211800  -0.101999
+    0SOL     H3    3   0.382874   0.159782   0.039529
+    1SOL     O4    4  -0.366288  -0.229569   0.022689
+    1SOL     H5    5  -0.421235  -0.171108  -0.029518
+    1SOL     H6    6  -0.366466  -0.312191  -0.025642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/VLE/640K/89/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.086487  -0.089979   0.445221
+    0SOL     H2    2   0.074942   0.004922   0.449993
+    0SOL     H3    3   0.142918  -0.103491   0.369094
+    1SOL     O4    4  -0.094939   0.085957  -0.438509
+    1SOL     H5    5  -0.050780   0.001040  -0.439681
+    1SOL     H6    6  -0.032154   0.146210  -0.478382
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/000/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002107   0.000543   0.095695
+    0SOL     H3    3  -0.080836   0.044158  -0.026036
+    1SOL     O4    4  -0.015917  -0.245317  -0.128249
+    1SOL     H5    5  -0.095676  -0.292740  -0.104760
+    1SOL     H6    6  -0.027467  -0.158416  -0.089817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/001/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001106  -0.006528  -0.095491
+    0SOL     H3    3   0.076690  -0.049774   0.028347
+    1SOL     O4    4   0.200208  -0.148198   0.106595
+    1SOL     H5    5   0.186082  -0.156903   0.200866
+    1SOL     H6    6   0.278462  -0.093601   0.098994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/002/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072766   0.053771  -0.031242
+    0SOL     H3    3   0.014301  -0.007243   0.094368
+    1SOL     O4    4   0.016813  -0.011508   0.277880
+    1SOL     H5    5   0.085340   0.043507   0.315823
+    1SOL     H6    6   0.013170  -0.088173   0.335077
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/003/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077734   0.045648  -0.032186
+    0SOL     H3    3  -0.008903  -0.089182  -0.033610
+    1SOL     O4    4  -0.204994   0.123105  -0.103192
+    1SOL     H5    5  -0.283258   0.084581  -0.063785
+    1SOL     H6    6  -0.209215   0.215709  -0.079339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/004/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014608  -0.004794  -0.094477
+    0SOL     H3    3  -0.088507  -0.034290   0.012370
+    1SOL     O4    4   0.219595  -0.126735   0.136775
+    1SOL     H5    5   0.137254  -0.083142   0.114823
+    1SOL     H6    6   0.286745  -0.074956   0.092366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/005/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014547  -0.089307  -0.031224
+    0SOL     H3    3   0.009708  -0.005926   0.095042
+    1SOL     O4    4  -0.209062   0.130242  -0.092486
+    1SOL     H5    5  -0.133752   0.083157  -0.056799
+    1SOL     H6    6  -0.182772   0.153606  -0.181510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/006/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006004   0.000954   0.095527
+    0SOL     H3    3  -0.006598  -0.092754  -0.022706
+    1SOL     O4    4  -0.010257  -0.250409  -0.115074
+    1SOL     H5    5  -0.009163  -0.260007  -0.210305
+    1SOL     H6    6  -0.064303  -0.323147  -0.084242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/007/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070722  -0.041912  -0.049032
+    0SOL     H3    3   0.078285  -0.049828  -0.023472
+    1SOL     O4    4   0.223198  -0.112686  -0.106515
+    1SOL     H5    5   0.214902  -0.200614  -0.069608
+    1SOL     H6    6   0.294883  -0.072666  -0.057301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/008/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075648   0.020781   0.054844
+    0SOL     H3    3   0.072664   0.047473   0.040355
+    1SOL     O4    4   0.223485   0.126885   0.116587
+    1SOL     H5    5   0.298400   0.091004   0.069020
+    1SOL     H6    6   0.217585   0.217743   0.087053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/009/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007947   0.088725  -0.035030
+    0SOL     H3    3  -0.079961  -0.044277  -0.028429
+    1SOL     O4    4  -0.225855  -0.130814  -0.108718
+    1SOL     H5    5  -0.213799  -0.137837  -0.203416
+    1SOL     H6    6  -0.308520  -0.083654  -0.098482
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/010/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018042  -0.001876   0.093985
+    0SOL     H3    3   0.030739  -0.084801  -0.032036
+    1SOL     O4    4  -0.251686   0.106264  -0.101654
+    1SOL     H5    5  -0.247820   0.200563  -0.085687
+    1SOL     H6    6  -0.166990   0.073339  -0.071572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/011/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087616  -0.028814  -0.025602
+    0SOL     H3    3   0.009578   0.086332  -0.040217
+    1SOL     O4    4  -0.216580  -0.113454  -0.083752
+    1SOL     H5    5  -0.292513  -0.063840  -0.053175
+    1SOL     H6    6  -0.227064  -0.200067  -0.044375
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/012/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066666   0.046376  -0.050667
+    0SOL     H3    3   0.083191   0.030387  -0.036308
+    1SOL     O4    4  -0.222266   0.137779  -0.080939
+    1SOL     H5    5  -0.306035   0.094305  -0.064971
+    1SOL     H6    6  -0.230812   0.222875  -0.037950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/013/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015037   0.094152  -0.008464
+    0SOL     H3    3  -0.081084  -0.040156  -0.031230
+    1SOL     O4    4   0.233825  -0.138120  -0.063143
+    1SOL     H5    5   0.156184  -0.088996  -0.036290
+    1SOL     H6    6   0.225254  -0.222590  -0.018944
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/014/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079774   0.035666  -0.039068
+    0SOL     H3    3   0.004684   0.025920   0.092025
+    1SOL     O4    4  -0.007704  -0.240916  -0.120627
+    1SOL     H5    5  -0.003760  -0.151400  -0.086957
+    1SOL     H6    6   0.057313  -0.288783  -0.069208
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/015/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076297  -0.038290   0.043301
+    0SOL     H3    3   0.008989   0.094201   0.014411
+    1SOL     O4    4  -0.235746  -0.081769   0.118771
+    1SOL     H5    5  -0.229484  -0.170100   0.082428
+    1SOL     H6    6  -0.154076  -0.039225   0.092650
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/016/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016476  -0.013398   0.093335
+    0SOL     H3    3   0.004498  -0.087738  -0.038001
+    1SOL     O4    4   0.048155  -0.264504  -0.073760
+    1SOL     H5    5   0.052250  -0.271952  -0.169102
+    1SOL     H6    6  -0.035770  -0.304038  -0.050183
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/017/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080204  -0.030947  -0.042094
+    0SOL     H3    3  -0.069967  -0.050122  -0.041890
+    1SOL     O4    4   0.203827  -0.147865  -0.098060
+    1SOL     H5    5   0.284198  -0.108298  -0.064336
+    1SOL     H6    6   0.206389  -0.238146  -0.066359
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/018/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004762  -0.027138   0.091669
+    0SOL     H3    3  -0.082726   0.047693  -0.006643
+    1SOL     O4    4   0.026836  -0.260816  -0.106787
+    1SOL     H5    5   0.017460  -0.166437  -0.093858
+    1SOL     H6    6  -0.055831  -0.297640  -0.075604
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/019/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083877  -0.024761   0.038907
+    0SOL     H3    3   0.009438  -0.021183  -0.092868
+    1SOL     O4    4   0.229571  -0.080661   0.132873
+    1SOL     H5    5   0.229231  -0.077545   0.228542
+    1SOL     H6    6   0.311952  -0.038869   0.107793
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/020/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079952  -0.029488   0.043595
+    0SOL     H3    3   0.008416   0.092018   0.024984
+    1SOL     O4    4  -0.013556   0.015149  -0.257786
+    1SOL     H5    5   0.002635   0.019329  -0.163539
+    1SOL     H6    6   0.060927  -0.033734  -0.292788
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/021/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026951   0.007554   0.091536
+    0SOL     H3    3   0.000263   0.090052  -0.032449
+    1SOL     O4    4  -0.236161  -0.159255  -0.111106
+    1SOL     H5    5  -0.148512  -0.121944  -0.101737
+    1SOL     H6    6  -0.226994  -0.249804  -0.081456
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/022/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087398  -0.023364  -0.031273
+    0SOL     H3    3   0.013128   0.089829  -0.030345
+    1SOL     O4    4  -0.223608  -0.114694  -0.101068
+    1SOL     H5    5  -0.263845  -0.198929  -0.079909
+    1SOL     H6    6  -0.251194  -0.096827  -0.190968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/023/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005585  -0.026018  -0.091947
+    0SOL     H3    3   0.087511   0.032550   0.021088
+    1SOL     O4    4   0.233750   0.091048   0.085384
+    1SOL     H5    5   0.242107   0.083340   0.180426
+    1SOL     H6    6   0.320558   0.068754   0.051773
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/024/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081671  -0.029574  -0.040218
+    0SOL     H3    3   0.068512  -0.030959  -0.059245
+    1SOL     O4    4   0.215166  -0.099979  -0.137375
+    1SOL     H5    5   0.239772  -0.100850  -0.229874
+    1SOL     H6    6   0.206963  -0.192401  -0.113852
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/025/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005232   0.000782   0.095574
+    0SOL     H3    3  -0.076153   0.054319  -0.020311
+    1SOL     O4    4  -0.201052   0.124727  -0.094041
+    1SOL     H5    5  -0.267870   0.080758  -0.041464
+    1SOL     H6    6  -0.198902   0.214223  -0.060157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/026/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064047  -0.061666  -0.035462
+    0SOL     H3    3   0.006057  -0.011026   0.094890
+    1SOL     O4    4  -0.012783   0.266335  -0.092817
+    1SOL     H5    5  -0.018980   0.178515  -0.055247
+    1SOL     H6    6   0.068202   0.302274  -0.056594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/027/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001059   0.035104  -0.089044
+    0SOL     H3    3  -0.012629   0.076513   0.056112
+    1SOL     O4    4  -0.225062  -0.145717   0.124221
+    1SOL     H5    5  -0.221592  -0.227589   0.074750
+    1SOL     H6    6  -0.155243  -0.092040   0.086720
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/028/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073299  -0.039927   0.046856
+    0SOL     H3    3   0.077968  -0.036704   0.041667
+    1SOL     O4    4   0.241021  -0.055912   0.119052
+    1SOL     H5    5   0.253938  -0.049060   0.213648
+    1SOL     H6    6   0.313730  -0.006442   0.081256
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/029/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071726  -0.053030  -0.034721
+    0SOL     H3    3   0.076818  -0.027989  -0.049779
+    1SOL     O4    4   0.224470  -0.062915  -0.107363
+    1SOL     H5    5   0.242285  -0.076858  -0.200372
+    1SOL     H6    6   0.305579  -0.025736  -0.072703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/030/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082574   0.030182  -0.037854
+    0SOL     H3    3   0.021242  -0.079440  -0.048993
+    1SOL     O4    4   0.210366   0.139409  -0.072454
+    1SOL     H5    5   0.217886   0.228587  -0.038498
+    1SOL     H6    6   0.126721   0.107724  -0.038369
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/031/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076630   0.044751  -0.035882
+    0SOL     H3    3  -0.000278  -0.085811  -0.042410
+    1SOL     O4    4  -0.041982  -0.225322  -0.135240
+    1SOL     H5    5  -0.066100  -0.221916  -0.227809
+    1SOL     H6    6  -0.117617  -0.265172  -0.092186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/032/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025190   0.011022  -0.091686
+    0SOL     H3    3  -0.077443  -0.037645   0.041807
+    1SOL     O4    4   0.007997   0.269547   0.085947
+    1SOL     H5    5   0.011626   0.183408   0.044362
+    1SOL     H6    6   0.092363   0.309756   0.065259
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/033/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031111   0.017543  -0.088807
+    0SOL     H3    3   0.023142  -0.091510   0.015897
+    1SOL     O4    4   0.022758  -0.271133   0.079142
+    1SOL     H5    5   0.032003  -0.287235   0.173044
+    1SOL     H6    6   0.098441  -0.314551   0.039782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/034/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081967   0.033533  -0.036322
+    0SOL     H3    3   0.068247   0.050790  -0.043876
+    1SOL     O4    4   0.025766  -0.245148  -0.109312
+    1SOL     H5    5   0.013167  -0.198186  -0.191763
+    1SOL     H6    6   0.034720  -0.176185  -0.043539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/035/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031357   0.008683   0.090020
+    0SOL     H3    3  -0.014479  -0.093927  -0.011414
+    1SOL     O4    4  -0.202083   0.387037   0.023038
+    1SOL     H5    5  -0.285349   0.425085  -0.004917
+    1SOL     H6    6  -0.135634   0.446452  -0.011843
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/036/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010059  -0.006993   0.094933
+    0SOL     H3    3   0.078175   0.046998  -0.029020
+    1SOL     O4    4   0.025219   0.010020   0.258059
+    1SOL     H5    5   0.042423  -0.070204   0.307359
+    1SOL     H6    6  -0.055950   0.044256   0.295499
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/037/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003705   0.005356   0.095498
+    0SOL     H3    3  -0.000983  -0.093860  -0.018753
+    1SOL     O4    4  -0.198401   0.169401  -0.106078
+    1SOL     H5    5  -0.277929   0.120774  -0.084331
+    1SOL     H6    6  -0.126920   0.110147  -0.082801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/038/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072628  -0.055342   0.028719
+    0SOL     H3    3   0.008560   0.079807   0.052153
+    1SOL     O4    4   0.047632   0.242168   0.138747
+    1SOL     H5    5  -0.020720   0.288860   0.090682
+    1SOL     H6    6   0.129505   0.272201   0.099286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/039/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013620  -0.004121   0.094656
+    0SOL     H3    3  -0.040756   0.082442  -0.026543
+    1SOL     O4    4   0.231345  -0.134799  -0.127357
+    1SOL     H5    5   0.160248  -0.094103  -0.077845
+    1SOL     H6    6   0.214835  -0.228811  -0.120190
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/040/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076148   0.047169  -0.033747
+    0SOL     H3    3   0.001321  -0.081947  -0.049450
+    1SOL     O4    4   0.010941  -0.001989   0.272529
+    1SOL     H5    5   0.009772  -0.009824   0.177137
+    1SOL     H6    6   0.023074  -0.091631   0.303824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/041/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003607  -0.012259  -0.094863
+    0SOL     H3    3  -0.083179  -0.035012   0.031903
+    1SOL     O4    4   0.006411   0.001046  -0.278899
+    1SOL     H5    5   0.097374  -0.010578  -0.306338
+    1SOL     H6    6  -0.017477   0.087934  -0.311182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/042/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009813   0.084149   0.044553
+    0SOL     H3    3   0.084942  -0.042830   0.010624
+    1SOL     O4    4   0.216213  -0.130295   0.122236
+    1SOL     H5    5   0.302873  -0.091058   0.111614
+    1SOL     H6    6   0.229775  -0.223464   0.104980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/043/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053818   0.062119   0.049063
+    0SOL     H3    3  -0.087728   0.009786   0.037019
+    1SOL     O4    4   0.004268   0.001165  -0.249734
+    1SOL     H5    5  -0.000471  -0.002425  -0.154199
+    1SOL     H6    6  -0.078188   0.041852  -0.276340
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/044/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010022   0.003082   0.095144
+    0SOL     H3    3   0.072025   0.060267  -0.018510
+    1SOL     O4    4  -0.209843   0.128625  -0.095692
+    1SOL     H5    5  -0.276539   0.064238  -0.071853
+    1SOL     H6    6  -0.129039   0.094927  -0.056994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/045/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005668  -0.015171   0.094340
+    0SOL     H3    3  -0.012294   0.094554  -0.008405
+    1SOL     O4    4   0.221521  -0.114585  -0.104622
+    1SOL     H5    5   0.218490  -0.202362  -0.066565
+    1SOL     H6    6   0.140642  -0.072799  -0.075045
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/046/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081109  -0.044451  -0.024652
+    0SOL     H3    3   0.069195  -0.051721  -0.041222
+    1SOL     O4    4  -0.025251   0.029431   0.281847
+    1SOL     H5    5  -0.014029   0.003004   0.190535
+    1SOL     H6    6  -0.015225   0.124617   0.280689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/047/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079911  -0.050989  -0.013293
+    0SOL     H3    3   0.070582  -0.058251  -0.028058
+    1SOL     O4    4  -0.213080  -0.135410  -0.039675
+    1SOL     H5    5  -0.238874  -0.149059  -0.130838
+    1SOL     H6    6  -0.291131  -0.099088   0.002170
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/048/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023829  -0.089445   0.024373
+    0SOL     H3    3  -0.078254   0.018941   0.051767
+    1SOL     O4    4   0.014076  -0.247345   0.139447
+    1SOL     H5    5   0.097698  -0.284415   0.111242
+    1SOL     H6    6   0.017822  -0.249676   0.235065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/049/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075129  -0.052341   0.027899
+    0SOL     H3    3   0.006896   0.080850   0.050775
+    1SOL     O4    4   0.019027   0.253018   0.074021
+    1SOL     H5    5  -0.054190   0.291686   0.025996
+    1SOL     H6    6   0.094381   0.307199   0.050597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/050/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005369   0.026273  -0.091887
+    0SOL     H3    3  -0.089629  -0.024188   0.023320
+    1SOL     O4    4   0.240616  -0.148430   0.073391
+    1SOL     H5    5   0.167120  -0.090114   0.054422
+    1SOL     H6    6   0.318154  -0.098329   0.048092
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/051/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081938  -0.030084   0.039287
+    0SOL     H3    3   0.009593   0.090189   0.030598
+    1SOL     O4    4   0.231394   0.378446  -0.025245
+    1SOL     H5    5   0.320681   0.356364   0.001259
+    1SOL     H6    6   0.214453   0.463242   0.015801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/052/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000630  -0.006452   0.095500
+    0SOL     H3    3  -0.084051   0.040837  -0.020740
+    1SOL     O4    4  -0.012632   0.039067   0.281350
+    1SOL     H5    5  -0.005030  -0.050661   0.313806
+    1SOL     H6    6  -0.099156   0.067863   0.310447
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/053/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001518  -0.010148   0.095169
+    0SOL     H3    3   0.062639  -0.065798  -0.030154
+    1SOL     O4    4  -0.023543   0.247079  -0.092755
+    1SOL     H5    5  -0.023527   0.159284  -0.054618
+    1SOL     H6    6   0.050124   0.291495  -0.050770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/054/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017844  -0.093644   0.008647
+    0SOL     H3    3   0.078117   0.014573   0.053363
+    1SOL     O4    4  -0.017351  -0.022722  -0.271071
+    1SOL     H5    5  -0.026879  -0.116426  -0.288136
+    1SOL     H6    6  -0.000688  -0.017036  -0.176985
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/055/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011214   0.022039   0.092471
+    0SOL     H3    3   0.075431   0.039784  -0.043472
+    1SOL     O4    4   0.007501  -0.253451  -0.113925
+    1SOL     H5    5  -0.079890  -0.292471  -0.112337
+    1SOL     H6    6  -0.002888  -0.169491  -0.069147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/056/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063480  -0.059065   0.040544
+    0SOL     H3    3  -0.011187   0.082879   0.046565
+    1SOL     O4    4   0.001706  -0.005339  -0.284092
+    1SOL     H5    5  -0.008297  -0.008011  -0.188933
+    1SOL     H6    6   0.017789   0.086907  -0.303951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/057/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075262  -0.040336  -0.043255
+    0SOL     H3    3   0.076080  -0.042217  -0.039899
+    1SOL     O4    4   0.182493  -0.160036  -0.125042
+    1SOL     H5    5   0.197243  -0.177567  -0.217980
+    1SOL     H6    6   0.183656  -0.246428  -0.083844
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/058/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015361  -0.080742   0.049061
+    0SOL     H3    3   0.069775   0.059021   0.028465
+    1SOL     O4    4   0.032602  -0.228716   0.140612
+    1SOL     H5    5   0.111810  -0.281878   0.132720
+    1SOL     H6    6   0.016233  -0.223876   0.234798
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/059/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010419  -0.090124   0.030520
+    0SOL     H3    3   0.077714   0.045473   0.032482
+    1SOL     O4    4   0.208273   0.128710   0.074074
+    1SOL     H5    5   0.280965   0.078329   0.037469
+    1SOL     H6    6   0.206632   0.209368   0.022558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/060/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006893  -0.018107  -0.093739
+    0SOL     H3    3  -0.067611  -0.054664   0.040037
+    1SOL     O4    4   0.246796  -0.100315   0.061475
+    1SOL     H5    5   0.172362  -0.050462   0.027762
+    1SOL     H6    6   0.323098  -0.061313   0.018823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/061/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008385   0.009530  -0.094875
+    0SOL     H3    3  -0.083991   0.030108   0.034660
+    1SOL     O4    4  -0.234025   0.111448   0.069502
+    1SOL     H5    5  -0.319119   0.084242   0.035133
+    1SOL     H6    6  -0.213768   0.192197   0.022263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/062/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022310   0.028831  -0.088506
+    0SOL     H3    3   0.081918   0.045273   0.020053
+    1SOL     O4    4   0.184899   0.367377  -0.023377
+    1SOL     H5    5   0.181566   0.359667  -0.118728
+    1SOL     H6    6   0.178111   0.277284   0.008237
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/063/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008781   0.017180  -0.093755
+    0SOL     H3    3  -0.000347  -0.095465   0.006976
+    1SOL     O4    4   0.052214  -0.001354  -0.274427
+    1SOL     H5    5  -0.029101   0.040807  -0.302225
+    1SOL     H6    6   0.121488   0.053574  -0.311119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/064/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001979  -0.021126  -0.093339
+    0SOL     H3    3   0.074893  -0.048900   0.034091
+    1SOL     O4    4  -0.224441  -0.089820   0.113830
+    1SOL     H5    5  -0.296023  -0.043809   0.069997
+    1SOL     H6    6  -0.145063  -0.054655   0.073521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/065/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010425  -0.005689   0.094980
+    0SOL     H3    3   0.080154   0.050847  -0.012343
+    1SOL     O4    4   0.241343   0.119527  -0.053460
+    1SOL     H5    5   0.255501   0.126892  -0.147840
+    1SOL     H6    6   0.325894   0.091219  -0.018646
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/066/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006179   0.017509  -0.093902
+    0SOL     H3    3   0.072258   0.055151   0.029992
+    1SOL     O4    4   0.201998   0.132678   0.119616
+    1SOL     H5    5   0.209914   0.142902   0.214458
+    1SOL     H6    6   0.265076   0.064158   0.097516
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/067/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015936  -0.003760   0.094309
+    0SOL     H3    3  -0.018778  -0.090526  -0.024794
+    1SOL     O4    4  -0.019945  -0.014257   0.257304
+    1SOL     H5    5  -0.089033   0.047963   0.280058
+    1SOL     H6    6  -0.046428  -0.096005   0.299474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/068/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068761  -0.052346  -0.041160
+    0SOL     H3    3   0.081703  -0.039308  -0.030690
+    1SOL     O4    4   0.223810  -0.143224  -0.086452
+    1SOL     H5    5   0.213649  -0.151379  -0.181281
+    1SOL     H6    6   0.221906  -0.233353  -0.054273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/069/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012102  -0.001185   0.094945
+    0SOL     H3    3  -0.085747   0.024442  -0.034819
+    1SOL     O4    4   0.205394   0.116994  -0.121148
+    1SOL     H5    5   0.129695   0.070898  -0.084994
+    1SOL     H6    6   0.209801   0.198633  -0.071368
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/070/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000086  -0.020460   0.093508
+    0SOL     H3    3   0.083757  -0.033530  -0.031981
+    1SOL     O4    4   0.235485  -0.112589  -0.113644
+    1SOL     H5    5   0.223805  -0.100978  -0.207937
+    1SOL     H6    6   0.319370  -0.070645  -0.094508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/071/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070186   0.060309  -0.024475
+    0SOL     H3    3   0.080315   0.044216  -0.027508
+    1SOL     O4    4   0.044395  -0.252904  -0.088080
+    1SOL     H5    5  -0.027167  -0.314174  -0.071136
+    1SOL     H6    6   0.008822  -0.167284  -0.064287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/072/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073280   0.036124   0.049874
+    0SOL     H3    3  -0.011285  -0.094859   0.006065
+    1SOL     O4    4  -0.031083  -0.261409   0.076122
+    1SOL     H5    5  -0.036457  -0.261186   0.171691
+    1SOL     H6    6  -0.102183  -0.319104   0.048222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/073/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087356   0.022347   0.032121
+    0SOL     H3    3  -0.006307   0.009201  -0.095068
+    1SOL     O4    4   0.017617  -0.277757   0.089039
+    1SOL     H5    5   0.026464  -0.259271   0.182539
+    1SOL     H6    6   0.022007  -0.191841   0.047068
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/074/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006994  -0.010649  -0.094868
+    0SOL     H3    3   0.094120   0.004893   0.016726
+    1SOL     O4    4   0.242238   0.081825   0.068050
+    1SOL     H5    5   0.328615   0.050566   0.041140
+    1SOL     H6    6   0.247381   0.087376   0.163471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/075/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007904   0.008175  -0.095042
+    0SOL     H3    3   0.028067  -0.089561   0.018800
+    1SOL     O4    4  -0.175510   0.109048  -0.344540
+    1SOL     H5    5  -0.186188   0.111300  -0.439636
+    1SOL     H6    6  -0.201586   0.196412  -0.315387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/076/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088836   0.022116   0.027954
+    0SOL     H3    3   0.056582   0.055260   0.053918
+    1SOL     O4    4  -0.003700  -0.289392   0.061536
+    1SOL     H5    5  -0.094333  -0.314556   0.043792
+    1SOL     H6    6  -0.000417  -0.195839   0.041553
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/077/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009197   0.011393  -0.094593
+    0SOL     H3    3  -0.017972   0.086656   0.036469
+    1SOL     O4    4   0.233909  -0.118419   0.085648
+    1SOL     H5    5   0.148557  -0.100867   0.046035
+    1SOL     H6    6   0.245966  -0.212866   0.075812
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/078/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074834  -0.058344   0.012576
+    0SOL     H3    3  -0.029649   0.084623   0.033501
+    1SOL     O4    4   0.016692   0.284480   0.074921
+    1SOL     H5    5   0.023625   0.284744   0.170389
+    1SOL     H6    6   0.103470   0.311040   0.044484
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/079/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001309  -0.003957  -0.095629
+    0SOL     H3    3  -0.071360   0.059688   0.022528
+    1SOL     O4    4  -0.001641  -0.012909  -0.294855
+    1SOL     H5    5  -0.002235  -0.089218  -0.352638
+    1SOL     H6    6   0.080552   0.031818  -0.315012
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/080/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006322   0.000825  -0.095507
+    0SOL     H3    3   0.087623  -0.024617   0.029639
+    1SOL     O4    4  -0.023259   0.271610   0.083513
+    1SOL     H5    5   0.012376   0.276913   0.172194
+    1SOL     H6    6   0.001355   0.184307   0.052939
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/081/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001847  -0.090812  -0.030201
+    0SOL     H3    3   0.083829   0.033998  -0.031293
+    1SOL     O4    4  -0.022670  -0.249516  -0.082182
+    1SOL     H5    5  -0.022770  -0.271531  -0.175336
+    1SOL     H6    6  -0.083320  -0.312139  -0.042658
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/082/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009354  -0.086536  -0.039829
+    0SOL     H3    3  -0.079454   0.036068  -0.039350
+    1SOL     O4    4  -0.006538  -0.289193  -0.084161
+    1SOL     H5    5  -0.063430  -0.340755  -0.027005
+    1SOL     H6    6   0.081950  -0.306891  -0.052239
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/083/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078688  -0.043913  -0.032283
+    0SOL     H3    3  -0.009363   0.090639  -0.029312
+    1SOL     O4    4  -0.228961  -0.137942  -0.056767
+    1SOL     H5    5  -0.233178  -0.108604  -0.147782
+    1SOL     H6    6  -0.311826  -0.109206  -0.018426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/084/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013183  -0.087159   0.037307
+    0SOL     H3    3   0.084142   0.028785   0.035409
+    1SOL     O4    4   0.244662   0.090817   0.078808
+    1SOL     H5    5   0.325168   0.044452   0.055757
+    1SOL     H6    6   0.261771   0.181926   0.054959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/085/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004124   0.020278   0.093456
+    0SOL     H3    3   0.081649  -0.046571  -0.018078
+    1SOL     O4    4  -0.034670   0.021443   0.268463
+    1SOL     H5    5  -0.110321  -0.027444   0.300856
+    1SOL     H6    6  -0.012445   0.081295   0.339780
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/086/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004543  -0.029433  -0.090969
+    0SOL     H3    3  -0.074331  -0.042557   0.042734
+    1SOL     O4    4   0.021199   0.264426   0.058365
+    1SOL     H5    5   0.026399   0.169904   0.044189
+    1SOL     H6    6   0.091000   0.300744   0.003857
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/087/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013536  -0.005769   0.094582
+    0SOL     H3    3   0.011498   0.093505  -0.016939
+    1SOL     O4    4   0.015949   0.002761   0.300436
+    1SOL     H5    5  -0.050076  -0.054609   0.339315
+    1SOL     H6    6   0.099586  -0.035022   0.327632
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/088/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005988   0.002054   0.095510
+    0SOL     H3    3   0.091964  -0.019643  -0.017863
+    1SOL     O4    4   0.002073  -0.030450   0.281799
+    1SOL     H5    5  -0.078149  -0.082562   0.285149
+    1SOL     H6    6  -0.016161   0.045276   0.337435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/089/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001434  -0.085233  -0.043538
+    0SOL     H3    3   0.079447   0.042273  -0.032611
+    1SOL     O4    4  -0.006819   0.028140   0.287961
+    1SOL     H5    5  -0.020840   0.021761   0.193489
+    1SOL     H6    6  -0.094356   0.041298   0.324380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/090/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005188  -0.013073   0.094681
+    0SOL     H3    3   0.060943   0.071657  -0.017708
+    1SOL     O4    4  -0.000307   0.018693   0.323024
+    1SOL     H5    5   0.030530  -0.062426   0.363410
+    1SOL     H6    6   0.068906   0.082305   0.341067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/091/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014962  -0.000862   0.094539
+    0SOL     H3    3   0.004779  -0.092027  -0.025894
+    1SOL     O4    4  -0.237288   0.128711  -0.065230
+    1SOL     H5    5  -0.314414   0.086334  -0.027573
+    1SOL     H6    6  -0.166032   0.066590  -0.050198
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/092/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020030  -0.090600  -0.023510
+    0SOL     H3    3   0.084393   0.045006  -0.003829
+    1SOL     O4    4  -0.025149  -0.012989   0.258674
+    1SOL     H5    5  -0.036825  -0.015405   0.163699
+    1SOL     H6    6   0.059327   0.030194   0.271377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/093/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049459  -0.005928  -0.081737
+    0SOL     H3    3  -0.012311  -0.085257   0.041737
+    1SOL     O4    4   0.004381  -0.241858   0.129936
+    1SOL     H5    5   0.090211  -0.283146   0.120404
+    1SOL     H6    6  -0.016538  -0.251164   0.222877
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/094/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008613  -0.004739   0.095214
+    0SOL     H3    3   0.005888   0.093420  -0.020009
+    1SOL     O4    4   0.244804  -0.094288  -0.078676
+    1SOL     H5    5   0.160891  -0.052929  -0.058420
+    1SOL     H6    6   0.309482  -0.041588  -0.031753
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/095/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063141  -0.058152  -0.042354
+    0SOL     H3    3  -0.024636   0.087688  -0.029432
+    1SOL     O4    4   0.011903  -0.027113   0.267095
+    1SOL     H5    5   0.026970  -0.040482   0.173519
+    1SOL     H6    6   0.087368  -0.067848   0.309614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/096/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009260  -0.002669  -0.095234
+    0SOL     H3    3  -0.010804  -0.090979   0.027722
+    1SOL     O4    4   0.006444  -0.274445   0.026371
+    1SOL     H5    5  -0.012504  -0.275162   0.120194
+    1SOL     H6    6  -0.072038  -0.311232  -0.014244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/097/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005958   0.003498  -0.095470
+    0SOL     H3    3  -0.016999   0.090448   0.026315
+    1SOL     O4    4  -0.010344   0.024110  -0.292468
+    1SOL     H5    5  -0.069388  -0.040359  -0.331453
+    1SOL     H6    6   0.077240  -0.005427  -0.317346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/098/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073465   0.051052  -0.034043
+    0SOL     H3    3   0.077631   0.050289  -0.024633
+    1SOL     O4    4   0.010427  -0.029457  -0.443626
+    1SOL     H5    5   0.076694   0.028763  -0.406458
+    1SOL     H6    6   0.011738  -0.106585  -0.386953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/099/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081473  -0.042635   0.026583
+    0SOL     H3    3   0.008766   0.090073   0.031181
+    1SOL     O4    4  -0.214775  -0.122905   0.120290
+    1SOL     H5    5  -0.199002  -0.210341   0.084674
+    1SOL     H6    6  -0.142057  -0.070094   0.087345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/100/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000408   0.095316   0.008775
+    0SOL     H3    3   0.001121  -0.015399  -0.094467
+    1SOL     O4    4  -0.010294   0.268219   0.070942
+    1SOL     H5    5  -0.089297   0.321876   0.064480
+    1SOL     H6    6   0.006174   0.260976   0.164956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/101/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074052  -0.042904   0.042870
+    0SOL     H3    3  -0.000933   0.088459   0.036557
+    1SOL     O4    4   0.038870  -0.002370  -0.273223
+    1SOL     H5    5   0.045162   0.002727  -0.177846
+    1SOL     H6    6   0.116460  -0.051729  -0.299789
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/102/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009362   0.011936  -0.094510
+    0SOL     H3    3  -0.076231   0.052932   0.023440
+    1SOL     O4    4   0.012979   0.010383  -0.273935
+    1SOL     H5    5   0.092041   0.049151  -0.311465
+    1SOL     H6    6   0.006595  -0.075766  -0.315164
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/103/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008340   0.001932  -0.095336
+    0SOL     H3    3  -0.030350   0.087761   0.023219
+    1SOL     O4    4  -0.048535   0.260785   0.084741
+    1SOL     H5    5  -0.070486   0.256152   0.177795
+    1SOL     H6    6  -0.110260   0.324431   0.048663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/104/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013146  -0.013880  -0.093791
+    0SOL     H3    3   0.084524   0.044512   0.006058
+    1SOL     O4    4  -0.233242   0.119738   0.097350
+    1SOL     H5    5  -0.161346   0.074060   0.053684
+    1SOL     H6    6  -0.228423   0.209377   0.064122
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/105/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077115  -0.056693  -0.001205
+    0SOL     H3    3   0.022989   0.011211  -0.092240
+    1SOL     O4    4  -0.014559  -0.029408  -0.282332
+    1SOL     H5    5   0.061792  -0.075347  -0.317294
+    1SOL     H6    6  -0.089248  -0.082529  -0.309938
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/106/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078865  -0.050454   0.019928
+    0SOL     H3    3  -0.004469   0.015232  -0.094395
+    1SOL     O4    4   0.384262   0.008968  -0.032584
+    1SOL     H5    5   0.317780  -0.041305   0.014481
+    1SOL     H6    6   0.371056   0.099240  -0.003621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/107/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082068   0.026854  -0.041304
+    0SOL     H3    3   0.011943  -0.090975  -0.027263
+    1SOL     O4    4  -0.222013   0.128676  -0.101839
+    1SOL     H5    5  -0.294266   0.086616  -0.055227
+    1SOL     H6    6  -0.218529   0.217275  -0.065775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/108/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000649  -0.084488  -0.044985
+    0SOL     H3    3   0.076697   0.045967  -0.034160
+    1SOL     O4    4  -0.025189  -0.240521  -0.111613
+    1SOL     H5    5  -0.036648  -0.241780  -0.206636
+    1SOL     H6    6  -0.108156  -0.273392  -0.076997
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/109/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077252  -0.044888   0.034346
+    0SOL     H3    3   0.073820  -0.042338   0.043822
+    1SOL     O4    4   0.022294   0.019836  -0.262050
+    1SOL     H5    5   0.050097   0.025928  -0.170660
+    1SOL     H6    6   0.015858   0.110754  -0.291288
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/110/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085239  -0.042663  -0.008746
+    0SOL     H3    3   0.060045  -0.056050  -0.049146
+    1SOL     O4    4   0.216008  -0.126476  -0.078278
+    1SOL     H5    5   0.298238  -0.087814  -0.048182
+    1SOL     H6    6   0.215045  -0.214000  -0.039538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/111/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081102  -0.042069   0.028547
+    0SOL     H3    3  -0.004404   0.088182   0.036971
+    1SOL     O4    4  -0.213140  -0.122710   0.131012
+    1SOL     H5    5  -0.208307  -0.124756   0.226588
+    1SOL     H6    6  -0.205863  -0.214439   0.104647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/112/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021114   0.028727   0.088833
+    0SOL     H3    3  -0.072787   0.031770  -0.053434
+    1SOL     O4    4   0.254699   0.073948  -0.098574
+    1SOL     H5    5   0.164963   0.062542  -0.067272
+    1SOL     H6    6   0.273408   0.166762  -0.084505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/113/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032501   0.087132  -0.022671
+    0SOL     H3    3   0.070820  -0.059308  -0.025089
+    1SOL     O4    4  -0.019113   0.008314   0.271519
+    1SOL     H5    5   0.000474   0.005359   0.177872
+    1SOL     H6    6  -0.096598  -0.046977   0.281587
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/114/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001044   0.024150  -0.092617
+    0SOL     H3    3   0.083438   0.032177   0.034134
+    1SOL     O4    4  -0.033058  -0.254306   0.076348
+    1SOL     H5    5  -0.027255  -0.269430   0.170688
+    1SOL     H6    6  -0.000805  -0.164988   0.064334
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/115/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039432  -0.006932  -0.086945
+    0SOL     H3    3   0.054015  -0.056341   0.055411
+    1SOL     O4    4  -0.245479  -0.119191   0.084874
+    1SOL     H5    5  -0.326825  -0.081825   0.050978
+    1SOL     H6    6  -0.176894  -0.081118   0.030020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/116/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012558  -0.002292  -0.094865
+    0SOL     H3    3  -0.009311  -0.091165   0.027650
+    1SOL     O4    4  -0.032632  -0.258615   0.087328
+    1SOL     H5    5  -0.106903  -0.304700   0.048310
+    1SOL     H6    6   0.042790  -0.314522   0.068670
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/117/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008455  -0.006205   0.095144
+    0SOL     H3    3  -0.072048   0.057024  -0.026828
+    1SOL     O4    4  -0.012812  -0.272595  -0.072081
+    1SOL     H5    5  -0.005686  -0.273343  -0.167533
+    1SOL     H6    6  -0.020432  -0.179935  -0.049311
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/118/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078604  -0.044913  -0.031090
+    0SOL     H3    3   0.001298  -0.012288   0.094919
+    1SOL     O4    4   0.213058  -0.113585  -0.098312
+    1SOL     H5    5   0.210237  -0.203811  -0.066476
+    1SOL     H6    6   0.297222  -0.079911  -0.067576
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/119/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011860  -0.011839   0.094242
+    0SOL     H3    3  -0.022115  -0.087256  -0.032554
+    1SOL     O4    4  -0.201492   0.160637  -0.090690
+    1SOL     H5    5  -0.277730   0.116031  -0.053807
+    1SOL     H6    6  -0.126386   0.112784  -0.055599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/120/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080949   0.047794   0.018036
+    0SOL     H3    3   0.069327   0.056452   0.034195
+    1SOL     O4    4   0.031168  -0.271897   0.116265
+    1SOL     H5    5  -0.058047  -0.304409   0.104185
+    1SOL     H6    6   0.037726  -0.197152   0.056830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/121/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009236  -0.017867  -0.093583
+    0SOL     H3    3  -0.076694  -0.041040   0.039951
+    1SOL     O4    4  -0.206656  -0.126684   0.151605
+    1SOL     H5    5  -0.284834  -0.080852   0.120785
+    1SOL     H6    6  -0.212061  -0.213251   0.111119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/122/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011428   0.017657  -0.093381
+    0SOL     H3    3   0.022429   0.084977   0.037923
+    1SOL     O4    4   0.029746   0.255409   0.035452
+    1SOL     H5    5   0.034408   0.243847   0.130357
+    1SOL     H6    6   0.107882   0.306196   0.013595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/123/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007575   0.005112  -0.095283
+    0SOL     H3    3   0.090349   0.003117   0.031458
+    1SOL     O4    4  -0.014265   0.004972  -0.259999
+    1SOL     H5    5   0.068075  -0.029746  -0.294307
+    1SOL     H6    6  -0.014651   0.096827  -0.286922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/124/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088674  -0.029033   0.021360
+    0SOL     H3    3   0.057110  -0.063432   0.043326
+    1SOL     O4    4   0.218840   0.396948   0.026312
+    1SOL     H5    5   0.214194   0.484419   0.064906
+    1SOL     H6    6   0.135940   0.355630   0.050454
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/125/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084792  -0.015310  -0.041693
+    0SOL     H3    3   0.063003  -0.044470  -0.056704
+    1SOL     O4    4  -0.223447  -0.111122  -0.122282
+    1SOL     H5    5  -0.217657  -0.122958  -0.217090
+    1SOL     H6    6  -0.219266  -0.199891  -0.086715
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/126/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018603   0.002241  -0.093868
+    0SOL     H3    3  -0.008203  -0.092326   0.023894
+    1SOL     O4    4  -0.018759  -0.241941   0.119083
+    1SOL     H5    5  -0.090174  -0.287320   0.074329
+    1SOL     H6    6   0.060257  -0.288282   0.091313
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/127/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073682  -0.040895  -0.045397
+    0SOL     H3    3  -0.004433   0.092217  -0.025273
+    1SOL     O4    4   0.002442  -0.005233   0.265218
+    1SOL     H5    5   0.005679  -0.018739   0.170511
+    1SOL     H6    6  -0.006153   0.089526   0.275665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/128/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016511   0.019224  -0.092305
+    0SOL     H3    3   0.059271   0.058165   0.047603
+    1SOL     O4    4  -0.019083  -0.267429   0.086116
+    1SOL     H5    5   0.070912  -0.299545   0.080475
+    1SOL     H6    6  -0.015592  -0.179502   0.048448
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/129/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007440   0.004165  -0.095339
+    0SOL     H3    3  -0.082287  -0.039528   0.028789
+    1SOL     O4    4   0.238346  -0.115640   0.089757
+    1SOL     H5    5   0.156475  -0.077954   0.057519
+    1SOL     H6    6   0.305782  -0.053423   0.062485
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/130/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010408  -0.038405  -0.087058
+    0SOL     H3    3   0.074750  -0.046273   0.037863
+    1SOL     O4    4  -0.050529  -0.022789  -0.291538
+    1SOL     H5    5  -0.138961  -0.056960  -0.304748
+    1SOL     H6    6  -0.052945   0.065215  -0.329112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/131/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015015  -0.006103  -0.094338
+    0SOL     H3    3   0.000177   0.093954   0.018300
+    1SOL     O4    4  -0.014791   0.254913   0.076777
+    1SOL     H5    5  -0.020725   0.252140   0.172272
+    1SOL     H6    6  -0.078134   0.321782   0.050728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/132/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016137  -0.016004  -0.092983
+    0SOL     H3    3   0.077439   0.047630   0.029947
+    1SOL     O4    4  -0.010522  -0.311855   0.055077
+    1SOL     H5    5  -0.036869  -0.232390   0.008671
+    1SOL     H6    6  -0.079225  -0.375359   0.034841
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/133/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001605  -0.088040   0.037534
+    0SOL     H3    3   0.069260   0.045325   0.048073
+    1SOL     O4    4   0.014217  -0.267095   0.076484
+    1SOL     H5    5   0.038227  -0.255350   0.168396
+    1SOL     H6    6  -0.050435  -0.337675   0.077400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/134/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083744   0.040108   0.023250
+    0SOL     H3    3   0.064606   0.047125   0.052608
+    1SOL     O4    4   0.000992  -0.270776   0.043675
+    1SOL     H5    5   0.016593  -0.267694   0.138065
+    1SOL     H6    6  -0.000661  -0.178976   0.016614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/135/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012700  -0.002561  -0.094839
+    0SOL     H3    3   0.081358   0.048981   0.012004
+    1SOL     O4    4  -0.019351  -0.253890   0.147674
+    1SOL     H5    5  -0.102747  -0.289977   0.117588
+    1SOL     H6    6  -0.012353  -0.169382   0.103267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/136/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006342  -0.009599  -0.095026
+    0SOL     H3    3   0.076357  -0.052329   0.024363
+    1SOL     O4    4   0.001025   0.260591   0.123760
+    1SOL     H5    5  -0.077570   0.294641   0.081031
+    1SOL     H6    6  -0.002654   0.166090   0.108981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/137/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003803   0.006941   0.095392
+    0SOL     H3    3   0.084285   0.034104  -0.029923
+    1SOL     O4    4   0.001477  -0.248262  -0.122986
+    1SOL     H5    5  -0.083026  -0.286511  -0.099351
+    1SOL     H6    6   0.002099  -0.162864  -0.079753
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/138/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018867  -0.090418   0.025117
+    0SOL     H3    3   0.009152   0.000848  -0.095278
+    1SOL     O4    4   0.216051   0.386314  -0.037115
+    1SOL     H5    5   0.304671   0.421642  -0.044907
+    1SOL     H6    6   0.227454   0.302618   0.007911
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/139/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004136   0.006464   0.095412
+    0SOL     H3    3   0.077157  -0.051341  -0.023942
+    1SOL     O4    4   0.028350   0.014512   0.264763
+    1SOL     H5    5   0.109109  -0.019515   0.303266
+    1SOL     H6    6   0.029325   0.107928   0.285613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/140/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016707   0.016706  -0.092758
+    0SOL     H3    3  -0.021514   0.085892   0.036360
+    1SOL     O4    4   0.223631  -0.138548   0.103570
+    1SOL     H5    5   0.157763  -0.085249   0.059040
+    1SOL     H6    6   0.204824  -0.127066   0.196719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/141/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027908   0.016937  -0.089981
+    0SOL     H3    3   0.016467  -0.094255   0.002680
+    1SOL     O4    4   0.010597  -0.262008   0.039644
+    1SOL     H5    5   0.019506  -0.301177   0.126528
+    1SOL     H6    6   0.082328  -0.299841  -0.011205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/142/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073235   0.050209  -0.035750
+    0SOL     H3    3   0.075716   0.057743  -0.009753
+    1SOL     O4    4   0.203223   0.129699  -0.069019
+    1SOL     H5    5   0.210932   0.140123  -0.163857
+    1SOL     H6    6   0.225532   0.215750  -0.033525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/143/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018947   0.020833   0.091484
+    0SOL     H3    3  -0.077287  -0.047682  -0.030258
+    1SOL     O4    4   0.021730   0.022934   0.273902
+    1SOL     H5    5  -0.057828  -0.019277   0.306323
+    1SOL     H6    6   0.006092   0.116521   0.286521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/144/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022374   0.013071   0.092146
+    0SOL     H3    3   0.079228   0.024742  -0.047677
+    1SOL     O4    4   0.020143  -0.269381  -0.079600
+    1SOL     H5    5  -0.010636  -0.184359  -0.048194
+    1SOL     H6    6  -0.057219  -0.325649  -0.076232
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/145/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005661  -0.004738  -0.095435
+    0SOL     H3    3  -0.009006   0.093177   0.019979
+    1SOL     O4    4  -0.265652  -0.130567   0.055901
+    1SOL     H5    5  -0.343959  -0.094501   0.014312
+    1SOL     H6    6  -0.198864  -0.063052   0.043932
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/146/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001352  -0.092025   0.026303
+    0SOL     H3    3   0.082157   0.033911   0.035533
+    1SOL     O4    4  -0.253429   0.103647   0.088188
+    1SOL     H5    5  -0.170514   0.074480   0.050285
+    1SOL     H6    6  -0.263228   0.193916   0.057892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/147/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076088   0.051866  -0.026132
+    0SOL     H3    3   0.075287   0.053610  -0.024902
+    1SOL     O4    4   0.256380   0.124707  -0.090921
+    1SOL     H5    5   0.241713   0.125014  -0.185510
+    1SOL     H6    6   0.248393   0.216531  -0.065098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/148/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007018  -0.019372   0.093476
+    0SOL     H3    3   0.079740   0.048848  -0.020439
+    1SOL     O4    4  -0.007062  -0.254542  -0.084430
+    1SOL     H5    5   0.086659  -0.263018  -0.066911
+    1SOL     H6    6  -0.031307  -0.170638  -0.045254
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/149/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089639   0.030400  -0.014246
+    0SOL     H3    3   0.019002   0.023080   0.090931
+    1SOL     O4    4   0.034475   0.037931   0.266072
+    1SOL     H5    5   0.027212  -0.052566   0.296403
+    1SOL     H6    6   0.119455   0.067453   0.298770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/150/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012412   0.007640   0.094604
+    0SOL     H3    3   0.082824  -0.035503  -0.032282
+    1SOL     O4    4   0.006909   0.270447  -0.073485
+    1SOL     H5    5  -0.066536   0.329375  -0.056290
+    1SOL     H6    6  -0.015331   0.190048  -0.026542
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/151/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000458  -0.019027   0.093809
+    0SOL     H3    3  -0.018593   0.093742  -0.005383
+    1SOL     O4    4  -0.208322  -0.138771  -0.103484
+    1SOL     H5    5  -0.200917  -0.145246  -0.198697
+    1SOL     H6    6  -0.140959  -0.075555  -0.078418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/152/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082235   0.042521  -0.024325
+    0SOL     H3    3   0.067936   0.055249  -0.038659
+    1SOL     O4    4   0.205677   0.149362  -0.095603
+    1SOL     H5    5   0.190922   0.149476  -0.190179
+    1SOL     H6    6   0.209667   0.241995  -0.071825
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/153/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012226   0.023780  -0.091909
+    0SOL     H3    3   0.072724  -0.059149   0.019363
+    1SOL     O4    4   0.015922   0.041200  -0.298827
+    1SOL     H5    5  -0.057780  -0.018576  -0.311367
+    1SOL     H6    6   0.090011  -0.003027  -0.340264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/154/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080834   0.043793   0.026653
+    0SOL     H3    3   0.007368  -0.088216   0.036414
+    1SOL     O4    4  -0.000987  -0.241423   0.093111
+    1SOL     H5    5  -0.066899  -0.308358   0.074738
+    1SOL     H6    6   0.081861  -0.289313   0.095396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/155/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017504   0.006765   0.093863
+    0SOL     H3    3   0.024631   0.085525  -0.035231
+    1SOL     O4    4   0.049070   0.246787  -0.108809
+    1SOL     H5    5  -0.028017   0.292410  -0.075067
+    1SOL     H6    6   0.120087   0.310455  -0.100726
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/156/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082985  -0.039094   0.027340
+    0SOL     H3    3  -0.000767   0.087509   0.038781
+    1SOL     O4    4   0.421238   0.037058  -0.026221
+    1SOL     H5    5   0.361877  -0.012353   0.030323
+    1SOL     H6    6   0.431883   0.121307   0.017951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/157/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010878  -0.017051  -0.093559
+    0SOL     H3    3  -0.084802   0.034323   0.028158
+    1SOL     O4    4   0.219953   0.107437   0.111737
+    1SOL     H5    5   0.146011   0.063729   0.069494
+    1SOL     H6    6   0.297188   0.062496   0.077424
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/158/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077804   0.048855  -0.026870
+    0SOL     H3    3  -0.012948  -0.087612  -0.036315
+    1SOL     O4    4  -0.030640  -0.252838  -0.130236
+    1SOL     H5    5  -0.028217  -0.238903  -0.224906
+    1SOL     H6    6  -0.100654  -0.316789  -0.117176
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/159/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070827   0.053437  -0.035921
+    0SOL     H3    3   0.079227   0.051289  -0.015966
+    1SOL     O4    4  -0.207161   0.111247  -0.124332
+    1SOL     H5    5  -0.202502   0.112359  -0.219933
+    1SOL     H6    6  -0.282687   0.055841  -0.104628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/160/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069822   0.060901  -0.024047
+    0SOL     H3    3   0.080842   0.046210  -0.022171
+    1SOL     O4    4   0.003645   0.027763   0.295977
+    1SOL     H5    5  -0.002194   0.014826   0.201315
+    1SOL     H6    6   0.031244  -0.057277   0.330164
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/161/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017365  -0.011600  -0.093414
+    0SOL     H3    3  -0.076900  -0.036873   0.043465
+    1SOL     O4    4  -0.024425  -0.034289  -0.283497
+    1SOL     H5    5  -0.090791  -0.086999  -0.327988
+    1SOL     H6    6   0.058978  -0.069117  -0.315014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/162/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009621  -0.001715   0.095220
+    0SOL     H3    3  -0.010057  -0.091912  -0.024764
+    1SOL     O4    4  -0.029008  -0.235894  -0.103531
+    1SOL     H5    5   0.005972  -0.224587  -0.191911
+    1SOL     H6    6   0.038529  -0.285380  -0.057140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/163/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019503  -0.001499   0.093700
+    0SOL     H3    3  -0.072957  -0.046939  -0.040453
+    1SOL     O4    4   0.221257  -0.109775  -0.061637
+    1SOL     H5    5   0.246868  -0.100412  -0.153391
+    1SOL     H6    6   0.143832  -0.054231  -0.052545
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/164/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034404   0.015630  -0.087945
+    0SOL     H3    3  -0.069165  -0.049000   0.044469
+    1SOL     O4    4  -0.217078  -0.157774   0.079248
+    1SOL     H5    5  -0.305990  -0.124566   0.066824
+    1SOL     H6    6  -0.224077  -0.251820   0.062860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/165/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018869  -0.010359  -0.093268
+    0SOL     H3    3   0.015206  -0.086811   0.037348
+    1SOL     O4    4   0.033656  -0.000090  -0.251990
+    1SOL     H5    5  -0.041671   0.050904  -0.281786
+    1SOL     H6    6   0.109659   0.047926  -0.284861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/166/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039861   0.017352   0.085278
+    0SOL     H3    3   0.048282   0.055900  -0.060880
+    1SOL     O4    4   0.208529   0.140167  -0.118406
+    1SOL     H5    5   0.222518   0.138072  -0.213076
+    1SOL     H6    6   0.224249   0.231334  -0.093836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/167/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075532  -0.055552  -0.019267
+    0SOL     H3    3   0.075516  -0.058062  -0.009407
+    1SOL     O4    4  -0.207233  -0.360743  -0.003279
+    1SOL     H5    5  -0.293558  -0.396526  -0.024013
+    1SOL     H6    6  -0.145701  -0.427780  -0.032982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/168/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083548  -0.027632   0.037663
+    0SOL     H3    3  -0.008552   0.091893   0.025396
+    1SOL     O4    4   0.021408   0.247367   0.085291
+    1SOL     H5    5   0.012679   0.257994   0.180018
+    1SOL     H6    6  -0.054043   0.293676   0.048893
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/169/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084626  -0.035889   0.026698
+    0SOL     H3    3   0.064419  -0.060336   0.037043
+    1SOL     O4    4  -0.036442  -0.005260  -0.273985
+    1SOL     H5    5  -0.020701  -0.002884  -0.179598
+    1SOL     H6    6  -0.112000  -0.063119  -0.284265
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/170/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010632  -0.080375  -0.050883
+    0SOL     H3    3  -0.029501  -0.023254   0.088041
+    1SOL     O4    4  -0.004375  -0.015828   0.264778
+    1SOL     H5    5  -0.077729   0.039115   0.292396
+    1SOL     H6    6  -0.002233  -0.086958   0.328795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/171/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000282  -0.027953  -0.091547
+    0SOL     H3    3  -0.084943   0.042340   0.012426
+    1SOL     O4    4   0.225460   0.116479   0.120091
+    1SOL     H5    5   0.217376   0.102024   0.214367
+    1SOL     H6    6   0.141185   0.088657   0.084232
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/172/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073427   0.051515  -0.033421
+    0SOL     H3    3  -0.007822  -0.084486  -0.044308
+    1SOL     O4    4   0.031127  -0.006528   0.297607
+    1SOL     H5    5   0.018880  -0.020889   0.203766
+    1SOL     H6    6   0.103577   0.055788   0.303094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/173/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068062   0.055370  -0.038263
+    0SOL     H3    3   0.082218   0.040076  -0.028220
+    1SOL     O4    4  -0.203336   0.143931  -0.080263
+    1SOL     H5    5  -0.206393   0.140866  -0.175885
+    1SOL     H6    6  -0.286003   0.104580  -0.052335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/174/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005067  -0.093918  -0.017778
+    0SOL     H3    3   0.083119   0.027323  -0.038819
+    1SOL     O4    4   0.017615  -0.256148  -0.094518
+    1SOL     H5    5  -0.020421  -0.265940  -0.181808
+    1SOL     H6    6   0.099384  -0.305768  -0.098266
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/175/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010211  -0.005591   0.095009
+    0SOL     H3    3  -0.071325   0.057130  -0.028481
+    1SOL     O4    4   0.269140   0.110029  -0.085587
+    1SOL     H5    5   0.184432   0.068785  -0.068683
+    1SOL     H6    6   0.259492   0.199222  -0.052212
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/176/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074720   0.048402  -0.035164
+    0SOL     H3    3   0.076606   0.044224  -0.036581
+    1SOL     O4    4   0.003215  -0.282182  -0.081438
+    1SOL     H5    5   0.085373  -0.324914  -0.057222
+    1SOL     H6    6   0.004658  -0.198912  -0.034254
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/177/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002450   0.011740  -0.094966
+    0SOL     H3    3   0.007628   0.088777   0.034968
+    1SOL     O4    4   0.021538   0.258130   0.062992
+    1SOL     H5    5  -0.063949   0.300249   0.054031
+    1SOL     H6    6   0.084067   0.324139   0.033072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/178/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079178   0.025974  -0.047102
+    0SOL     H3    3   0.017874  -0.089002  -0.030355
+    1SOL     O4    4  -0.225363   0.121113  -0.078257
+    1SOL     H5    5  -0.236306   0.102619  -0.171534
+    1SOL     H6    6  -0.295334   0.071637  -0.035611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/179/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024463  -0.088323  -0.027621
+    0SOL     H3    3   0.084430   0.015830  -0.042229
+    1SOL     O4    4  -0.016781   0.028795   0.265409
+    1SOL     H5    5  -0.020309   0.021391   0.170041
+    1SOL     H6    6  -0.095484   0.078102   0.288580
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/180/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084302   0.040267   0.020836
+    0SOL     H3    3  -0.008391  -0.090365   0.030433
+    1SOL     O4    4   0.000009  -0.263435   0.087298
+    1SOL     H5    5   0.006315  -0.256639   0.182568
+    1SOL     H6    6   0.086808  -0.292712   0.059529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/181/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003518  -0.007843  -0.095333
+    0SOL     H3    3   0.019062   0.092210   0.017214
+    1SOL     O4    4   0.067552   0.264302   0.056675
+    1SOL     H5    5   0.070138   0.268864   0.152251
+    1SOL     H6    6   0.151036   0.301775   0.028593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/182/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003224  -0.011473   0.094975
+    0SOL     H3    3   0.083949   0.043064  -0.016135
+    1SOL     O4    4   0.040053  -0.002781   0.283906
+    1SOL     H5    5  -0.036190   0.041126   0.321608
+    1SOL     H6    6   0.029409  -0.094680   0.308475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/183/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053865  -0.003004   0.079069
+    0SOL     H3    3  -0.080842  -0.045123   0.024306
+    1SOL     O4    4   0.003816  -0.022487   0.273429
+    1SOL     H5    5   0.083196  -0.059220   0.312312
+    1SOL     H6    6  -0.004095   0.064469   0.312650
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/184/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008314  -0.091331  -0.027421
+    0SOL     H3    3   0.063531   0.047120  -0.053906
+    1SOL     O4    4  -0.029186   0.034534   0.269786
+    1SOL     H5    5  -0.017129   0.023230   0.175503
+    1SOL     H6    6   0.044572   0.089118   0.297038
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/185/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071101   0.049507  -0.040694
+    0SOL     H3    3  -0.006762  -0.087508  -0.038197
+    1SOL     O4    4  -0.225796   0.111510  -0.129430
+    1SOL     H5    5  -0.219737   0.205287  -0.111225
+    1SOL     H6    6  -0.306640   0.083860  -0.086280
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/186/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013263   0.029341  -0.090142
+    0SOL     H3    3   0.005529  -0.095441  -0.004769
+    1SOL     O4    4   0.028332   0.055103  -0.266773
+    1SOL     H5    5  -0.044755   0.113874  -0.285922
+    1SOL     H6    6   0.104695   0.098633  -0.304669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/187/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087759  -0.033634   0.018149
+    0SOL     H3    3   0.008634  -0.005583  -0.095166
+    1SOL     O4    4  -0.001005  -0.015268  -0.279865
+    1SOL     H5    5   0.079259  -0.045348  -0.322470
+    1SOL     H6    6  -0.071581  -0.049659  -0.334624
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/188/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081420  -0.042834   0.026428
+    0SOL     H3    3  -0.000195   0.082843   0.047951
+    1SOL     O4    4   0.022382   0.019060  -0.278830
+    1SOL     H5    5   0.013796   0.030044  -0.184130
+    1SOL     H6    6  -0.052368  -0.035380  -0.303549
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/189/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062278  -0.068355  -0.024724
+    0SOL     H3    3   0.085980  -0.039815  -0.013588
+    1SOL     O4    4   0.014312  -0.039643   0.298655
+    1SOL     H5    5   0.011692  -0.021361   0.204733
+    1SOL     H6    6   0.093609  -0.091877   0.310734
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/190/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012569  -0.083443  -0.045184
+    0SOL     H3    3   0.061231   0.059892  -0.042732
+    1SOL     O4    4   0.197792   0.135494  -0.143045
+    1SOL     H5    5   0.187595   0.108858  -0.234418
+    1SOL     H6    6   0.291347   0.125509  -0.125435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/191/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004791   0.003041  -0.095552
+    0SOL     H3    3  -0.083797   0.041148   0.021149
+    1SOL     O4    4   0.465607  -0.014824  -0.022285
+    1SOL     H5    5   0.486364  -0.029367  -0.114589
+    1SOL     H6    6   0.549114   0.009791   0.017502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/192/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071822   0.055266  -0.030816
+    0SOL     H3    3   0.078918   0.041752  -0.034511
+    1SOL     O4    4  -0.228409   0.151607  -0.065962
+    1SOL     H5    5  -0.306671   0.120932  -0.020176
+    1SOL     H6    6  -0.222954   0.244714  -0.044430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/193/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064591  -0.069944   0.009907
+    0SOL     H3    3  -0.042621   0.077412   0.036784
+    1SOL     O4    4  -0.214700  -0.159788   0.079037
+    1SOL     H5    5  -0.203087  -0.158647   0.174043
+    1SOL     H6    6  -0.221843  -0.252626   0.056846
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/194/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052600  -0.059886   0.053002
+    0SOL     H3    3   0.083440  -0.045391  -0.011820
+    1SOL     O4    4   0.059693   0.224420   0.122083
+    1SOL     H5    5   0.042531   0.148736   0.066049
+    1SOL     H6    6   0.132857   0.269440   0.079863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/195/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013941  -0.092404   0.020725
+    0SOL     H3    3   0.084287   0.041623   0.018041
+    1SOL     O4    4   0.004530  -0.265764   0.076542
+    1SOL     H5    5   0.033990  -0.278689   0.166694
+    1SOL     H6    6   0.071994  -0.307558   0.023024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/196/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001424  -0.011621  -0.095001
+    0SOL     H3    3   0.075219  -0.051414   0.029342
+    1SOL     O4    4   0.192480  -0.164753   0.118748
+    1SOL     H5    5   0.178736  -0.247319   0.072313
+    1SOL     H6    6   0.283417  -0.141510   0.099972
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/197/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077415  -0.054043  -0.015765
+    0SOL     H3    3   0.023683   0.086323  -0.033909
+    1SOL     O4    4   0.004404   0.265176  -0.118647
+    1SOL     H5    5   0.089064   0.302881  -0.094701
+    1SOL     H6    6  -0.059988   0.327668  -0.085320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/198/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002121   0.007463  -0.095405
+    0SOL     H3    3  -0.013824  -0.093273   0.016474
+    1SOL     O4    4   0.209052  -0.377017   0.012347
+    1SOL     H5    5   0.206600  -0.470920   0.030751
+    1SOL     H6    6   0.296617  -0.349515   0.039518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/199/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011801   0.002619   0.094954
+    0SOL     H3    3   0.000087   0.091916  -0.026717
+    1SOL     O4    4  -0.225993  -0.118201  -0.111622
+    1SOL     H5    5  -0.230290  -0.121545  -0.207187
+    1SOL     H6    6  -0.141844  -0.076633  -0.092823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/200/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073885   0.049960  -0.034745
+    0SOL     H3    3  -0.012772  -0.088545  -0.034044
+    1SOL     O4    4  -0.001798   0.010748   0.266660
+    1SOL     H5    5   0.007445   0.016151   0.171540
+    1SOL     H6    6   0.066741   0.068225   0.300735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/201/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003846  -0.024631  -0.092417
+    0SOL     H3    3   0.082170  -0.037677   0.031479
+    1SOL     O4    4  -0.012690  -0.018028  -0.275747
+    1SOL     H5    5  -0.095020  -0.063023  -0.294711
+    1SOL     H6    6   0.054357  -0.072002  -0.317625
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/202/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018715  -0.085389   0.038998
+    0SOL     H3    3  -0.075576   0.054012   0.023091
+    1SOL     O4    4   0.225084   0.118992   0.131125
+    1SOL     H5    5   0.145094   0.075172   0.102078
+    1SOL     H6    6   0.294923   0.077474   0.080517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/203/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092430  -0.019045   0.016006
+    0SOL     H3    3  -0.010843   0.091058   0.027444
+    1SOL     O4    4   0.026798   0.309302   0.086403
+    1SOL     H5    5   0.045351   0.321997   0.179446
+    1SOL     H6    6   0.104479   0.342842   0.041647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/204/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079050   0.034237   0.041729
+    0SOL     H3    3   0.015527  -0.083966   0.043255
+    1SOL     O4    4   0.204820   0.172982   0.091021
+    1SOL     H5    5   0.131524   0.115029   0.070249
+    1SOL     H6    6   0.282244   0.125565   0.060701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/205/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000588   0.001860   0.095700
+    0SOL     H3    3   0.077074   0.050730  -0.025464
+    1SOL     O4    4  -0.010729  -0.256441  -0.093264
+    1SOL     H5    5  -0.085252  -0.312176  -0.070853
+    1SOL     H6    6  -0.026794  -0.174752  -0.046030
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/206/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008256   0.003775   0.095289
+    0SOL     H3    3  -0.008457   0.091004  -0.028445
+    1SOL     O4    4  -0.016016   0.276837  -0.060939
+    1SOL     H5    5  -0.024505   0.289916  -0.155381
+    1SOL     H6    6   0.063330   0.324781  -0.037108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/207/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007948   0.003930  -0.095308
+    0SOL     H3    3  -0.015918   0.089779   0.029132
+    1SOL     O4    4   0.004094   0.021168  -0.271992
+    1SOL     H5    5   0.087727  -0.001524  -0.312648
+    1SOL     H6    6  -0.013576   0.110441  -0.301665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/208/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018550  -0.021148   0.091493
+    0SOL     H3    3  -0.079305  -0.025585  -0.047100
+    1SOL     O4    4  -0.015747   0.004764   0.273339
+    1SOL     H5    5  -0.100501  -0.037903   0.285927
+    1SOL     H6    6   0.048220  -0.059270   0.304488
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/209/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011054   0.027502  -0.091015
+    0SOL     H3    3   0.081029   0.042431   0.028219
+    1SOL     O4    4  -0.233908   0.073437   0.146189
+    1SOL     H5    5  -0.160347   0.036892   0.097042
+    1SOL     H6    6  -0.241036   0.163701   0.115142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/210/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077004   0.035496  -0.044416
+    0SOL     H3    3   0.008588  -0.088963  -0.034267
+    1SOL     O4    4   0.216988   0.144785  -0.101544
+    1SOL     H5    5   0.140104   0.101852  -0.064021
+    1SOL     H6    6   0.290020   0.087125  -0.079096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/211/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009932   0.010320   0.094642
+    0SOL     H3    3  -0.038283   0.079563  -0.036965
+    1SOL     O4    4   0.210669  -0.139924  -0.077489
+    1SOL     H5    5   0.126363  -0.107065  -0.046261
+    1SOL     H6    6   0.224262  -0.221215  -0.028814
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/212/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083570   0.037312   0.028039
+    0SOL     H3    3  -0.002239  -0.090326   0.031599
+    1SOL     O4    4   0.410275  -0.016278  -0.018393
+    1SOL     H5    5   0.421160  -0.020723  -0.113388
+    1SOL     H6    6   0.474334   0.048899   0.010080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/213/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085293  -0.040537  -0.015630
+    0SOL     H3    3   0.013436  -0.008013   0.094433
+    1SOL     O4    4   0.030883   0.257426  -0.082968
+    1SOL     H5    5  -0.041764   0.298397  -0.035998
+    1SOL     H6    6   0.036978   0.169462  -0.045719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/214/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006158   0.006766   0.095282
+    0SOL     H3    3  -0.077738  -0.053721  -0.015270
+    1SOL     O4    4  -0.195829  -0.166248  -0.079715
+    1SOL     H5    5  -0.275364  -0.128736  -0.041909
+    1SOL     H6    6  -0.198329  -0.258478  -0.054227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/215/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072404  -0.045211  -0.043313
+    0SOL     H3    3  -0.005029   0.084876  -0.043966
+    1SOL     O4    4  -0.045899   0.256612  -0.066132
+    1SOL     H5    5  -0.120285   0.306397  -0.032214
+    1SOL     H6    6   0.030539   0.296092  -0.024170
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/216/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007849   0.005876  -0.095217
+    0SOL     H3    3  -0.086162  -0.029561   0.029404
+    1SOL     O4    4   0.175621  -0.119689   0.307769
+    1SOL     H5    5   0.177650  -0.136983   0.213646
+    1SOL     H6    6   0.096032  -0.068183   0.320995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/217/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024057   0.018250   0.090832
+    0SOL     H3    3   0.027974   0.084633  -0.034886
+    1SOL     O4    4  -0.247651  -0.089906  -0.107700
+    1SOL     H5    5  -0.317894  -0.046901  -0.058927
+    1SOL     H6    6  -0.167687  -0.046604  -0.077814
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/218/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067683  -0.037550  -0.056314
+    0SOL     H3    3  -0.028707   0.078751  -0.046222
+    1SOL     O4    4   0.196755  -0.140413  -0.156192
+    1SOL     H5    5   0.187051  -0.218717  -0.102001
+    1SOL     H6    6   0.272670  -0.095097  -0.119508
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/219/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073245  -0.057558  -0.022013
+    0SOL     H3    3   0.017205   0.080491  -0.048861
+    1SOL     O4    4   0.046523  -0.042517   0.266783
+    1SOL     H5    5   0.025700  -0.050542   0.173700
+    1SOL     H6    6   0.045013   0.051688   0.283678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/220/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000595   0.023746   0.092726
+    0SOL     H3    3   0.083422  -0.044855  -0.013822
+    1SOL     O4    4  -0.242652  -0.082714  -0.088627
+    1SOL     H5    5  -0.250648  -0.054998  -0.179898
+    1SOL     H6    6  -0.158416  -0.047326  -0.060092
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/221/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087295  -0.023726  -0.031289
+    0SOL     H3    3   0.002218   0.095551  -0.005228
+    1SOL     O4    4   0.007759   0.047388   0.259121
+    1SOL     H5    5  -0.010285   0.012080   0.172000
+    1SOL     H6    6   0.076173  -0.009520   0.294383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/222/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012810  -0.092406  -0.021434
+    0SOL     H3    3   0.088355   0.019810  -0.031037
+    1SOL     O4    4  -0.211383   0.154382  -0.087230
+    1SOL     H5    5  -0.232248   0.154789  -0.180647
+    1SOL     H6    6  -0.134964   0.097201  -0.079957
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/223/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078003   0.048393  -0.027131
+    0SOL     H3    3   0.073205   0.055783  -0.026298
+    1SOL     O4    4   0.209452   0.145400  -0.123673
+    1SOL     H5    5   0.214896   0.142415  -0.219192
+    1SOL     H6    6   0.202696   0.238599  -0.102922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/224/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006113  -0.007710  -0.095213
+    0SOL     H3    3   0.075733  -0.048414   0.032909
+    1SOL     O4    4  -0.026504   0.248875   0.329106
+    1SOL     H5    5  -0.015526   0.264001   0.235228
+    1SOL     H6    6   0.040435   0.303568   0.370216
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/225/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011543  -0.004661  -0.094907
+    0SOL     H3    3  -0.083098   0.034543   0.032615
+    1SOL     O4    4   0.230737   0.147069   0.099053
+    1SOL     H5    5   0.228331   0.235115   0.061577
+    1SOL     H6    6   0.158088   0.101087   0.056981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/226/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008895  -0.002647  -0.095269
+    0SOL     H3    3   0.078037  -0.052329   0.018280
+    1SOL     O4    4  -0.021332   0.260289   0.094531
+    1SOL     H5    5   0.007771   0.176125   0.059435
+    1SOL     H6    6   0.049397   0.321055   0.072912
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/227/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077879  -0.054576   0.010893
+    0SOL     H3    3   0.070124  -0.049524   0.042336
+    1SOL     O4    4  -0.213713  -0.135633   0.065905
+    1SOL     H5    5  -0.229023  -0.146471   0.159769
+    1SOL     H6    6  -0.279746  -0.072212   0.037983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/228/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006543  -0.017473  -0.093884
+    0SOL     H3    3   0.083871   0.040071   0.022856
+    1SOL     O4    4   0.006532  -0.260510   0.092824
+    1SOL     H5    5   0.086108  -0.294486   0.051890
+    1SOL     H6    6   0.003528  -0.168471   0.066708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/229/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066592  -0.037907  -0.057366
+    0SOL     H3    3  -0.013219   0.088564  -0.033824
+    1SOL     O4    4   0.177486   0.384237   0.035568
+    1SOL     H5    5   0.105016   0.336318  -0.004609
+    1SOL     H6    6   0.165498   0.474654   0.006527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/230/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010831  -0.008348   0.094738
+    0SOL     H3    3   0.031154   0.089600  -0.012791
+    1SOL     O4    4  -0.005021   0.258743  -0.062442
+    1SOL     H5    5  -0.085852   0.306857  -0.044730
+    1SOL     H6    6   0.064502   0.323487  -0.050736
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/231/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001778  -0.090726   0.030462
+    0SOL     H3    3   0.087619   0.033458   0.019124
+    1SOL     O4    4  -0.251249   0.112148   0.084970
+    1SOL     H5    5  -0.167952   0.065400   0.078750
+    1SOL     H6    6  -0.235736   0.194971   0.039562
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/232/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061094  -0.052931   0.051265
+    0SOL     H3    3   0.007423   0.087917   0.037118
+    1SOL     O4    4   0.005051   0.258654   0.094062
+    1SOL     H5    5   0.016926   0.234183   0.185836
+    1SOL     H6    6  -0.079270   0.303910   0.092009
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/233/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003930   0.013852  -0.094631
+    0SOL     H3    3   0.087167  -0.032025   0.023207
+    1SOL     O4    4   0.188807  -0.325282  -0.232194
+    1SOL     H5    5   0.104813  -0.357248  -0.265142
+    1SOL     H6    6   0.196348  -0.236691  -0.267651
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/234/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088437  -0.031751  -0.018250
+    0SOL     H3    3  -0.008181   0.095369  -0.000405
+    1SOL     O4    4   0.021950  -0.020207   0.286400
+    1SOL     H5    5   0.034024  -0.036123   0.192788
+    1SOL     H6    6   0.102458  -0.052560   0.326824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/235/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075465  -0.049916  -0.031237
+    0SOL     H3    3   0.073864  -0.034079  -0.050449
+    1SOL     O4    4  -0.023799   0.036002   0.282279
+    1SOL     H5    5  -0.006978   0.024766   0.188721
+    1SOL     H6    6  -0.036107   0.130286   0.293296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/236/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072280  -0.058601   0.022446
+    0SOL     H3    3  -0.003745   0.007291  -0.095368
+    1SOL     O4    4  -0.002310  -0.033313  -0.271072
+    1SOL     H5    5  -0.079601  -0.081798  -0.300015
+    1SOL     H6    6  -0.012659   0.053640  -0.309730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/237/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085608  -0.039180  -0.017279
+    0SOL     H3    3  -0.007954   0.089978  -0.031670
+    1SOL     O4    4  -0.217601  -0.154336  -0.085715
+    1SOL     H5    5  -0.221347  -0.166008  -0.180647
+    1SOL     H6    6  -0.309119  -0.146011  -0.058929
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/238/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012068   0.093193   0.018214
+    0SOL     H3    3   0.001102  -0.006124  -0.095518
+    1SOL     O4    4  -0.233337  -0.117512   0.053759
+    1SOL     H5    5  -0.229647  -0.104968   0.148582
+    1SOL     H6    6  -0.150153  -0.082669   0.021687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/239/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087927   0.035197   0.013869
+    0SOL     H3    3  -0.001848  -0.024159  -0.092603
+    1SOL     O4    4   0.012617  -0.044280  -0.272338
+    1SOL     H5    5   0.089800  -0.020435  -0.323686
+    1SOL     H6    6  -0.058662   0.006434  -0.311194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/240/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077407  -0.044921  -0.033949
+    0SOL     H3    3   0.072501  -0.059613  -0.018766
+    1SOL     O4    4   0.202031  -0.142498  -0.036562
+    1SOL     H5    5   0.226349  -0.234372  -0.025161
+    1SOL     H6    6   0.284186  -0.094470  -0.026256
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/241/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083354   0.029779   0.036437
+    0SOL     H3    3   0.014156  -0.085983   0.039609
+    1SOL     O4    4  -0.029535   0.059716  -0.280010
+    1SOL     H5    5  -0.028676   0.035589  -0.187385
+    1SOL     H6    6  -0.017064  -0.023033  -0.326480
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/242/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079237  -0.038763   0.037166
+    0SOL     H3    3  -0.012374   0.081159   0.049218
+    1SOL     O4    4  -0.009125   0.246517   0.127195
+    1SOL     H5    5  -0.085436   0.272629   0.075647
+    1SOL     H6    6   0.063458   0.296244   0.089497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/243/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087264   0.035487  -0.016969
+    0SOL     H3    3  -0.001822  -0.087619  -0.038495
+    1SOL     O4    4  -0.032598  -0.251196  -0.115739
+    1SOL     H5    5  -0.038888  -0.260093  -0.210836
+    1SOL     H6    6  -0.109353  -0.297503  -0.082174
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/244/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077628   0.041345  -0.037773
+    0SOL     H3    3  -0.011582  -0.093375  -0.017589
+    1SOL     O4    4  -0.214318   0.106298  -0.079811
+    1SOL     H5    5  -0.299279   0.085913  -0.040717
+    1SOL     H6    6  -0.189840   0.190515  -0.041460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/245/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018618  -0.027421  -0.089799
+    0SOL     H3    3   0.081952   0.038744   0.030741
+    1SOL     O4    4   0.039158  -0.258342   0.075802
+    1SOL     H5    5   0.130485  -0.285125   0.065586
+    1SOL     H6    6   0.038364  -0.165865   0.051110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/246/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077035   0.052714   0.021194
+    0SOL     H3    3   0.071760   0.042348   0.047112
+    1SOL     O4    4  -0.060324  -0.245943   0.065234
+    1SOL     H5    5  -0.149221  -0.279465   0.053580
+    1SOL     H6    6  -0.061674  -0.159531   0.024082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/247/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012663  -0.078838  -0.052787
+    0SOL     H3    3   0.074866   0.044043  -0.040220
+    1SOL     O4    4   0.015785  -0.006352   0.253820
+    1SOL     H5    5   0.020574   0.002406   0.158622
+    1SOL     H6    6   0.106505   0.001740   0.283258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/248/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075573  -0.039088  -0.043854
+    0SOL     H3    3   0.074443  -0.022587  -0.055771
+    1SOL     O4    4  -0.250355  -0.123588  -0.080491
+    1SOL     H5    5  -0.329346  -0.077128  -0.052847
+    1SOL     H6    6  -0.253444  -0.121375  -0.176136
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/249/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010728   0.012239   0.094326
+    0SOL     H3    3  -0.075863   0.053774  -0.022703
+    1SOL     O4    4   0.187749   0.166589  -0.073531
+    1SOL     H5    5   0.102009   0.125568  -0.062209
+    1SOL     H6    6   0.246697   0.114406  -0.019085
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/250/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087001  -0.035561   0.018130
+    0SOL     H3    3   0.004540   0.090869   0.029742
+    1SOL     O4    4   0.030595   0.256739   0.081500
+    1SOL     H5    5   0.031664   0.273439   0.175746
+    1SOL     H6    6  -0.049547   0.298951   0.050555
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/251/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070252  -0.050010   0.041545
+    0SOL     H3    3   0.078412  -0.022683   0.049994
+    1SOL     O4    4  -0.071533   0.257302   0.105970
+    1SOL     H5    5  -0.056294   0.249858   0.200175
+    1SOL     H6    6  -0.052329   0.170059   0.071585
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/252/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066526   0.061375   0.031141
+    0SOL     H3    3   0.079478   0.052749  -0.007943
+    1SOL     O4    4  -0.006270  -0.257000   0.063544
+    1SOL     H5    5  -0.081416  -0.294776   0.017845
+    1SOL     H6    6  -0.005849  -0.165012   0.037080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/253/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013875  -0.021317  -0.092279
+    0SOL     H3    3  -0.020646  -0.083910   0.041173
+    1SOL     O4    4  -0.025253  -0.243781   0.114634
+    1SOL     H5    5  -0.000188  -0.213503   0.201911
+    1SOL     H6    6   0.056969  -0.271790   0.074417
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/254/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092914   0.022548  -0.004572
+    0SOL     H3    3  -0.043637   0.067356  -0.052166
+    1SOL     O4    4   0.042843   0.016017   0.268636
+    1SOL     H5    5   0.062070  -0.073561   0.296355
+    1SOL     H6    6   0.013587   0.007308   0.177913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/255/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013496  -0.093005  -0.018173
+    0SOL     H3    3   0.079071   0.042632  -0.033053
+    1SOL     O4    4  -0.200290   0.139762  -0.098517
+    1SOL     H5    5  -0.278605   0.091805  -0.071513
+    1SOL     H6    6  -0.128104   0.094116  -0.055298
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/256/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013992   0.010100  -0.094152
+    0SOL     H3    3   0.073070   0.046903   0.040288
+    1SOL     O4    4  -0.015190  -0.034120  -0.273552
+    1SOL     H5    5  -0.018288  -0.122003  -0.311359
+    1SOL     H6    6   0.060661   0.007124  -0.314879
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/257/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075169  -0.038871   0.044732
+    0SOL     H3    3   0.020582  -0.008257  -0.093116
+    1SOL     O4    4   0.010477   0.004643  -0.286902
+    1SOL     H5    5  -0.050580  -0.063965  -0.313870
+    1SOL     H6    6   0.096241  -0.027076  -0.315201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/258/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071616   0.056454  -0.029094
+    0SOL     H3    3   0.077555   0.035165  -0.043714
+    1SOL     O4    4   0.216582   0.139493  -0.103817
+    1SOL     H5    5   0.225932   0.124564  -0.197902
+    1SOL     H6    6   0.289755   0.091871  -0.064572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/259/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072868  -0.053544  -0.031395
+    0SOL     H3    3   0.012938   0.085082  -0.041905
+    1SOL     O4    4  -0.215552  -0.150094  -0.076085
+    1SOL     H5    5  -0.230822  -0.132688  -0.168962
+    1SOL     H6    6  -0.158208  -0.079000  -0.047456
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/260/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011940   0.017135  -0.093414
+    0SOL     H3    3   0.082427   0.027473   0.040167
+    1SOL     O4    4   0.008748   0.022825  -0.270108
+    1SOL     H5    5  -0.007431  -0.069811  -0.287973
+    1SOL     H6    6  -0.074389   0.065953  -0.289872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/261/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003187   0.004481   0.095562
+    0SOL     H3    3   0.072635   0.055161  -0.029048
+    1SOL     O4    4   0.016912  -0.244609  -0.161196
+    1SOL     H5    5   0.069215  -0.315990  -0.124707
+    1SOL     H6    6   0.047648  -0.166440  -0.115293
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/262/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066993   0.055515  -0.039903
+    0SOL     H3    3  -0.012768  -0.085829  -0.040406
+    1SOL     O4    4   0.228345   0.101515  -0.122851
+    1SOL     H5    5   0.159946   0.048720  -0.081660
+    1SOL     H6    6   0.199907   0.191988  -0.109881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/263/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006816  -0.007833   0.095155
+    0SOL     H3    3   0.002983  -0.090240  -0.031784
+    1SOL     O4    4  -0.250596   0.115258  -0.135719
+    1SOL     H5    5  -0.169108   0.079937  -0.100020
+    1SOL     H6    6  -0.254940   0.204632  -0.101723
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/264/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007448   0.019133  -0.093492
+    0SOL     H3    3   0.074717   0.044773   0.039686
+    1SOL     O4    4   0.231842   0.099440   0.084011
+    1SOL     H5    5   0.214209   0.066138   0.172002
+    1SOL     H6    6   0.316637   0.061697   0.060612
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/265/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013006   0.008865  -0.094417
+    0SOL     H3    3   0.077018   0.041500   0.038836
+    1SOL     O4    4   0.223010   0.160388   0.053391
+    1SOL     H5    5   0.247293   0.160480   0.145980
+    1SOL     H6    6   0.292520   0.110565   0.010400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/266/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075876  -0.040183  -0.042315
+    0SOL     H3    3   0.010377   0.093775  -0.016154
+    1SOL     O4    4  -0.002511   0.269495  -0.062340
+    1SOL     H5    5  -0.082259   0.317062  -0.039100
+    1SOL     H6    6   0.068122   0.332365  -0.047488
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/267/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006916  -0.019194  -0.093521
+    0SOL     H3    3  -0.078424  -0.039203   0.038408
+    1SOL     O4    4   0.013085  -0.006667  -0.289814
+    1SOL     H5    5   0.021453   0.085468  -0.314379
+    1SOL     H6    6   0.089646  -0.048929  -0.328733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/268/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000331  -0.088746  -0.035867
+    0SOL     H3    3   0.075588   0.042533  -0.040494
+    1SOL     O4    4  -0.026381   0.003153   0.286809
+    1SOL     H5    5  -0.000248  -0.001016   0.194819
+    1SOL     H6    6   0.031442   0.069057   0.325221
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/269/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068396   0.054237   0.039277
+    0SOL     H3    3   0.081578   0.045697   0.020471
+    1SOL     O4    4   0.210497   0.133415   0.099765
+    1SOL     H5    5   0.291412   0.097114   0.063747
+    1SOL     H6    6   0.213916   0.226439   0.077469
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/270/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017092   0.004020  -0.094096
+    0SOL     H3    3  -0.077096   0.040101   0.040130
+    1SOL     O4    4  -0.218209   0.098179   0.090481
+    1SOL     H5    5  -0.226452   0.117721   0.183821
+    1SOL     H6    6  -0.235931   0.181517   0.046857
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/271/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015999  -0.018114   0.092619
+    0SOL     H3    3  -0.013061  -0.086246  -0.039413
+    1SOL     O4    4   0.020840  -0.259631  -0.146124
+    1SOL     H5    5  -0.045194  -0.301856  -0.091179
+    1SOL     H6    6   0.103527  -0.299767  -0.119400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/272/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017350  -0.089663  -0.028666
+    0SOL     H3    3  -0.089040   0.018030  -0.030151
+    1SOL     O4    4  -0.022958  -0.023263   0.275537
+    1SOL     H5    5  -0.033889  -0.019957   0.180501
+    1SOL     H6    6   0.060682   0.020422   0.291608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/273/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090277   0.027327   0.016298
+    0SOL     H3    3   0.001677  -0.092704   0.023779
+    1SOL     O4    4  -0.010979  -0.252755   0.075365
+    1SOL     H5    5  -0.083215  -0.307167   0.044003
+    1SOL     H6    6   0.067126  -0.291402   0.035763
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/274/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080739   0.035243   0.037435
+    0SOL     H3    3   0.001837  -0.091334   0.028583
+    1SOL     O4    4   0.222746   0.173888   0.087177
+    1SOL     H5    5   0.167448   0.100967   0.059125
+    1SOL     H6    6   0.198236   0.246189   0.029434
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/275/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078436  -0.037532  -0.040018
+    0SOL     H3    3  -0.001344   0.092032  -0.026278
+    1SOL     O4    4   0.042236   0.028482   0.251838
+    1SOL     H5    5   0.029970   0.009332   0.158859
+    1SOL     H6    6   0.109956  -0.032909   0.280255
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/276/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073981  -0.051543   0.032133
+    0SOL     H3    3   0.077153  -0.051625   0.023336
+    1SOL     O4    4   0.005768  -0.006024   0.435119
+    1SOL     H5    5   0.077877  -0.059412   0.401767
+    1SOL     H6    6   0.014697  -0.010410   0.530320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/277/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086568  -0.022217   0.034273
+    0SOL     H3    3   0.020247   0.084953   0.039184
+    1SOL     O4    4  -0.240192  -0.104161   0.071440
+    1SOL     H5    5  -0.261679  -0.091452   0.163847
+    1SOL     H6    6  -0.312303  -0.062667   0.024106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/278/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072714   0.044499   0.043530
+    0SOL     H3    3   0.003944  -0.086036   0.041768
+    1SOL     O4    4  -0.211696   0.329148   0.072664
+    1SOL     H5    5  -0.292680   0.375778   0.093389
+    1SOL     H6    6  -0.142556   0.382616   0.111691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/279/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044452   0.012948   0.083777
+    0SOL     H3    3  -0.008678   0.088090  -0.036430
+    1SOL     O4    4  -0.193734  -0.099367   0.315722
+    1SOL     H5    5  -0.224359  -0.085129   0.405286
+    1SOL     H6    6  -0.267284  -0.072523   0.260657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/280/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067210  -0.045920  -0.050364
+    0SOL     H3    3   0.074800  -0.059726   0.000247
+    1SOL     O4    4  -0.057999   0.015286   0.296126
+    1SOL     H5    5  -0.133526  -0.042734   0.305701
+    1SOL     H6    6  -0.039690   0.015539   0.202174
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/281/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016479   0.006909   0.094037
+    0SOL     H3    3   0.080626   0.049671  -0.013949
+    1SOL     O4    4   0.232934   0.134815  -0.096412
+    1SOL     H5    5   0.311766   0.092305  -0.062636
+    1SOL     H6    6   0.244505   0.227374  -0.074936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/282/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078321   0.049518  -0.024002
+    0SOL     H3    3   0.072896   0.056639  -0.025308
+    1SOL     O4    4  -0.214526   0.165292  -0.070796
+    1SOL     H5    5  -0.213044   0.152977  -0.165709
+    1SOL     H6    6  -0.294876   0.121831  -0.042208
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/283/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027740  -0.086605   0.029872
+    0SOL     H3    3   0.010440  -0.002935  -0.095104
+    1SOL     O4    4  -0.211236   0.156431   0.081186
+    1SOL     H5    5  -0.291904   0.113466   0.052744
+    1SOL     H6    6  -0.142290   0.092637   0.062772
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/284/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011067   0.004888   0.094952
+    0SOL     H3    3  -0.011783  -0.092688  -0.020794
+    1SOL     O4    4  -0.064098  -0.023953   0.291423
+    1SOL     H5    5  -0.142663   0.018341   0.326080
+    1SOL     H6    6   0.008338   0.029094   0.324611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/285/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011475   0.014679   0.093889
+    0SOL     H3    3   0.076966  -0.056569  -0.006215
+    1SOL     O4    4   0.057322   0.030288   0.276083
+    1SOL     H5    5   0.127601  -0.022934   0.313372
+    1SOL     H6    6   0.066319   0.115384   0.318977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/286/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000317   0.094710   0.013862
+    0SOL     H3    3   0.092470  -0.024469   0.003586
+    1SOL     O4    4  -0.205266  -0.148669   0.121480
+    1SOL     H5    5  -0.132226  -0.092128   0.096370
+    1SOL     H6    6  -0.281905  -0.108448   0.080602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/287/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003643  -0.001726   0.095635
+    0SOL     H3    3   0.076747   0.053544  -0.020130
+    1SOL     O4    4   0.011600  -0.001174   0.274797
+    1SOL     H5    5  -0.058586   0.055795   0.306273
+    1SOL     H6    6   0.090369   0.031544   0.318241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/288/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072383  -0.036900  -0.050610
+    0SOL     H3    3   0.078734  -0.029033  -0.046048
+    1SOL     O4    4   0.233291  -0.088793  -0.110409
+    1SOL     H5    5   0.244342  -0.109324  -0.203246
+    1SOL     H6    6   0.318191  -0.053888  -0.083278
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/289/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083324  -0.032247  -0.034345
+    0SOL     H3    3   0.006440   0.089652  -0.032915
+    1SOL     O4    4   0.041221   0.010164   0.304253
+    1SOL     H5    5   0.019727  -0.015197   0.214491
+    1SOL     H6    6   0.031654   0.105400   0.305226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/290/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081008  -0.050179   0.009060
+    0SOL     H3    3  -0.027572   0.091441   0.006367
+    1SOL     O4    4  -0.213180  -0.141648   0.053410
+    1SOL     H5    5  -0.221922  -0.232240   0.023762
+    1SOL     H6    6  -0.186405  -0.148857   0.145025
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/291/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070083   0.054211   0.036220
+    0SOL     H3    3   0.080599   0.045441   0.024521
+    1SOL     O4    4   0.251498   0.136523   0.064343
+    1SOL     H5    5   0.342377   0.106866   0.059465
+    1SOL     H6    6   0.254784   0.228423   0.037775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/292/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070405   0.053572   0.036545
+    0SOL     H3    3   0.079654   0.033996   0.040765
+    1SOL     O4    4   0.228250   0.115058   0.086680
+    1SOL     H5    5   0.306754   0.079742   0.044820
+    1SOL     H6    6   0.236456   0.209924   0.076913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/293/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010990  -0.000765  -0.095084
+    0SOL     H3    3   0.003758   0.092625   0.023848
+    1SOL     O4    4   0.227021  -0.130826   0.056989
+    1SOL     H5    5   0.151251  -0.074244   0.042166
+    1SOL     H6    6   0.301114  -0.081387   0.021941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/294/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012046  -0.019440  -0.092948
+    0SOL     H3    3   0.085231   0.032555   0.028952
+    1SOL     O4    4   0.231278   0.104763   0.081363
+    1SOL     H5    5   0.295407   0.059166   0.026859
+    1SOL     H6    6   0.250913   0.076130   0.170565
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/295/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033615  -0.003086   0.089570
+    0SOL     H3    3   0.063231   0.053908  -0.047519
+    1SOL     O4    4  -0.236829   0.120943  -0.088366
+    1SOL     H5    5  -0.240771   0.210002  -0.053505
+    1SOL     H6    6  -0.161131   0.081533  -0.045019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/296/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084954   0.015117   0.041433
+    0SOL     H3    3   0.019447  -0.004687  -0.093606
+    1SOL     O4    4  -0.073700   0.010006  -0.269811
+    1SOL     H5    5  -0.150912   0.064900  -0.283498
+    1SOL     H6    6  -0.001077   0.061563  -0.304885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/297/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071726  -0.054560   0.032263
+    0SOL     H3    3   0.078733  -0.038851   0.038132
+    1SOL     O4    4  -0.027507   0.286575   0.042345
+    1SOL     H5    5  -0.107175   0.311792  -0.004339
+    1SOL     H6    6  -0.022863   0.191500   0.032272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/298/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083795   0.038013  -0.026378
+    0SOL     H3    3   0.065739   0.059770  -0.035613
+    1SOL     O4    4  -0.075819   0.021529   0.265708
+    1SOL     H5    5  -0.046595   0.021471   0.174558
+    1SOL     H6    6  -0.082873  -0.071119   0.288708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/299/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085123  -0.030551  -0.031355
+    0SOL     H3    3   0.005471   0.090734  -0.029995
+    1SOL     O4    4  -0.235156  -0.117519  -0.067591
+    1SOL     H5    5  -0.227315  -0.102071  -0.161730
+    1SOL     H6    6  -0.305490  -0.059010  -0.039446
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/300/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000439   0.033640   0.089613
+    0SOL     H3    3   0.077084   0.039429  -0.040813
+    1SOL     O4    4  -0.208045   0.112077  -0.125646
+    1SOL     H5    5  -0.189474   0.129156  -0.217981
+    1SOL     H6    6  -0.135651   0.056675  -0.096455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/301/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079010  -0.041758   0.034293
+    0SOL     H3    3  -0.008474   0.091900   0.025396
+    1SOL     O4    4   0.222747  -0.136420   0.111332
+    1SOL     H5    5   0.141159  -0.088207   0.097871
+    1SOL     H6    6   0.215009  -0.213035   0.054476
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/302/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088562   0.017314   0.031928
+    0SOL     H3    3   0.010963  -0.094588   0.009755
+    1SOL     O4    4   0.223754   0.123387   0.047548
+    1SOL     H5    5   0.145010   0.073392   0.026054
+    1SOL     H6    6   0.292822   0.083210  -0.005157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/303/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001019   0.010727   0.095112
+    0SOL     H3    3   0.079950   0.043320  -0.029895
+    1SOL     O4    4   0.239937   0.113546  -0.079807
+    1SOL     H5    5   0.237552   0.108914  -0.175385
+    1SOL     H6    6   0.304249   0.047445  -0.054174
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/304/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068420   0.057953  -0.033503
+    0SOL     H3    3  -0.081654   0.047019  -0.016856
+    1SOL     O4    4  -0.022462  -0.266861  -0.077124
+    1SOL     H5    5   0.060354  -0.308053  -0.052488
+    1SOL     H6    6  -0.016249  -0.177861  -0.042445
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/305/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083537   0.039070   0.025642
+    0SOL     H3    3  -0.009428  -0.092866   0.021198
+    1SOL     O4    4   0.230229   0.148473   0.078818
+    1SOL     H5    5   0.145002   0.110182   0.058022
+    1SOL     H6    6   0.293113   0.094536   0.030873
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/306/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004149  -0.094120  -0.016928
+    0SOL     H3    3   0.065463   0.032626  -0.061746
+    1SOL     O4    4  -0.038382  -0.251793  -0.080162
+    1SOL     H5    5  -0.046886  -0.245900  -0.175321
+    1SOL     H6    6  -0.125913  -0.275698  -0.049680
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/307/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067932  -0.054383   0.039875
+    0SOL     H3    3   0.032095   0.089628   0.009952
+    1SOL     O4    4   0.202053  -0.157631   0.113402
+    1SOL     H5    5   0.198374  -0.118097   0.200499
+    1SOL     H6    6   0.270058  -0.108315   0.067515
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/308/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016689   0.018060  -0.092507
+    0SOL     H3    3  -0.067533   0.049265   0.046633
+    1SOL     O4    4   0.239010   0.112491   0.079668
+    1SOL     H5    5   0.160423   0.072367   0.042567
+    1SOL     H6    6   0.309038   0.088810   0.018860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/309/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006869  -0.010316  -0.094914
+    0SOL     H3    3   0.018202   0.092696   0.015445
+    1SOL     O4    4  -0.197914  -0.145459   0.106986
+    1SOL     H5    5  -0.189015  -0.131922   0.201325
+    1SOL     H6    6  -0.122059  -0.101035   0.069106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/310/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002918  -0.077540  -0.056048
+    0SOL     H3    3   0.075282   0.052334  -0.027497
+    1SOL     O4    4  -0.442993  -0.016290  -0.019322
+    1SOL     H5    5  -0.509258   0.026324  -0.073684
+    1SOL     H6    6  -0.434344  -0.104096  -0.056439
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/311/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025006   0.000644  -0.092394
+    0SOL     H3    3   0.024463  -0.090851   0.017608
+    1SOL     O4    4   0.025375  -0.246636   0.087499
+    1SOL     H5    5  -0.003964  -0.218677   0.174217
+    1SOL     H6    6   0.112646  -0.283071   0.102282
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/312/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009234   0.009099   0.094838
+    0SOL     H3    3   0.080654   0.037237  -0.035647
+    1SOL     O4    4   0.259806   0.121511  -0.077191
+    1SOL     H5    5   0.222167   0.113330  -0.164819
+    1SOL     H6    6   0.222253   0.202390  -0.042396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/313/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010157   0.020226  -0.093006
+    0SOL     H3    3  -0.081956  -0.049195   0.005050
+    1SOL     O4    4   0.003467   0.049418  -0.286521
+    1SOL     H5    5   0.076535  -0.011670  -0.296095
+    1SOL     H6    6   0.037900   0.133099  -0.317732
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/314/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001548   0.094121  -0.017352
+    0SOL     H3    3   0.069867  -0.035668  -0.054851
+    1SOL     O4    4   0.234348  -0.124356  -0.093416
+    1SOL     H5    5   0.230836  -0.208724  -0.048338
+    1SOL     H6    6   0.300963  -0.074575  -0.046018
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/315/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073580  -0.048193  -0.037759
+    0SOL     H3    3  -0.002568   0.085400  -0.043157
+    1SOL     O4    4  -0.254558  -0.124984  -0.062287
+    1SOL     H5    5  -0.258142  -0.124997  -0.157940
+    1SOL     H6    6  -0.273671  -0.215453  -0.037543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/316/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002152   0.011457  -0.095007
+    0SOL     H3    3  -0.026743   0.085437   0.033876
+    1SOL     O4    4   0.216130  -0.121168   0.141117
+    1SOL     H5    5   0.145261  -0.081803   0.090222
+    1SOL     H6    6   0.295828  -0.097141   0.093861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/317/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003733   0.008105   0.095303
+    0SOL     H3    3   0.081592  -0.047110  -0.016901
+    1SOL     O4    4   0.250212  -0.106653  -0.050609
+    1SOL     H5    5   0.261433  -0.101564  -0.145533
+    1SOL     H6    6   0.276016  -0.196052  -0.028152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/318/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008918  -0.025133  -0.091930
+    0SOL     H3    3  -0.069261  -0.048425   0.044947
+    1SOL     O4    4   0.228761  -0.150907   0.051046
+    1SOL     H5    5   0.157284  -0.087921   0.041765
+    1SOL     H6    6   0.302707  -0.110102   0.005998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/319/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051417  -0.064228  -0.048923
+    0SOL     H3    3  -0.012297   0.082016  -0.047796
+    1SOL     O4    4   0.009695   0.240586  -0.122874
+    1SOL     H5    5  -0.052984   0.295603  -0.075898
+    1SOL     H6    6   0.095428   0.271694  -0.093814
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/320/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070138  -0.049369  -0.042493
+    0SOL     H3    3  -0.010382   0.089380  -0.032645
+    1SOL     O4    4  -0.032260   0.031352   0.269519
+    1SOL     H5    5  -0.015655   0.054292   0.178084
+    1SOL     H6    6   0.034579  -0.033904   0.290409
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/321/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077671  -0.046325  -0.031360
+    0SOL     H3    3  -0.011312   0.089746  -0.031304
+    1SOL     O4    4  -0.209939  -0.159799  -0.094127
+    1SOL     H5    5  -0.203057  -0.130154  -0.184881
+    1SOL     H6    6  -0.190826  -0.253512  -0.097977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/322/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000148  -0.024572  -0.092512
+    0SOL     H3    3  -0.012578  -0.082578   0.046744
+    1SOL     O4    4  -0.249552   0.113087   0.071874
+    1SOL     H5    5  -0.319736   0.070300   0.022827
+    1SOL     H6    6  -0.168954   0.080292   0.031988
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/323/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044632  -0.018769  -0.082571
+    0SOL     H3    3   0.072322  -0.062634   0.002966
+    1SOL     O4    4  -0.086407  -0.060113  -0.233574
+    1SOL     H5    5  -0.158669  -0.115813  -0.262524
+    1SOL     H6    6  -0.007538  -0.107177  -0.260538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/324/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008235  -0.002058   0.095343
+    0SOL     H3    3  -0.064696   0.064627  -0.028286
+    1SOL     O4    4  -0.015746  -0.248941  -0.094830
+    1SOL     H5    5  -0.098806  -0.287901  -0.067528
+    1SOL     H6    6  -0.022591  -0.157101  -0.068735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/325/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002699   0.004262   0.095587
+    0SOL     H3    3  -0.086483  -0.032509  -0.025024
+    1SOL     O4    4   0.190974  -0.142601  -0.166229
+    1SOL     H5    5   0.117454  -0.112409  -0.112885
+    1SOL     H6    6   0.266797  -0.095771  -0.131297
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/326/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080612  -0.037617  -0.035340
+    0SOL     H3    3  -0.070017  -0.052323  -0.039016
+    1SOL     O4    4   0.029682   0.247631  -0.058123
+    1SOL     H5    5   0.109746   0.276563  -0.014363
+    1SOL     H6    6   0.027719   0.152919  -0.044408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/327/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015317   0.008476   0.094106
+    0SOL     H3    3   0.000874  -0.094360  -0.016054
+    1SOL     O4    4  -0.207600   0.144126  -0.114457
+    1SOL     H5    5  -0.121210   0.111086  -0.089810
+    1SOL     H6    6  -0.214587   0.228582  -0.069952
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/328/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009458  -0.091438  -0.026684
+    0SOL     H3    3   0.085047   0.039516  -0.019177
+    1SOL     O4    4  -0.245910   0.147678  -0.081219
+    1SOL     H5    5  -0.258425   0.149279  -0.176104
+    1SOL     H6    6  -0.162670   0.102090  -0.068757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/329/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083247   0.045488   0.012771
+    0SOL     H3    3   0.066535   0.067488   0.013446
+    1SOL     O4    4  -0.013272  -0.036000  -0.274683
+    1SOL     H5    5  -0.003504  -0.000082  -0.186497
+    1SOL     H6    6  -0.070062   0.026417  -0.319865
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/330/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074879  -0.049266  -0.033589
+    0SOL     H3    3   0.017045   0.090450  -0.026278
+    1SOL     O4    4  -0.225128  -0.106607  -0.057841
+    1SOL     H5    5  -0.301706  -0.049820  -0.049270
+    1SOL     H6    6  -0.151693  -0.052374  -0.029060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/331/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073747  -0.048766  -0.036683
+    0SOL     H3    3  -0.003236   0.085007  -0.043882
+    1SOL     O4    4   0.002636  -0.057895   0.265703
+    1SOL     H5    5  -0.024413  -0.041044   0.175444
+    1SOL     H6    6  -0.077192  -0.087279   0.309592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/332/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007449  -0.089822   0.032231
+    0SOL     H3    3   0.085823   0.029410   0.030525
+    1SOL     O4    4   0.245524   0.111688  -0.011804
+    1SOL     H5    5   0.338091   0.088531  -0.019377
+    1SOL     H6    6   0.235313   0.188464  -0.068049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/333/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089347  -0.027769   0.020206
+    0SOL     H3    3   0.004259   0.095619  -0.001110
+    1SOL     O4    4   0.026329  -0.011326  -0.271109
+    1SOL     H5    5   0.005898  -0.014536  -0.177650
+    1SOL     H6    6  -0.052236  -0.045207  -0.314027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/334/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026566   0.031466  -0.086408
+    0SOL     H3    3  -0.079746  -0.037382   0.037490
+    1SOL     O4    4   0.173146  -0.122448   0.315890
+    1SOL     H5    5   0.212469  -0.182009   0.379674
+    1SOL     H6    6   0.184576  -0.166508   0.231686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/335/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001997  -0.001014  -0.095694
+    0SOL     H3    3   0.019859   0.090651   0.023459
+    1SOL     O4    4   0.156346  -0.157418   0.372312
+    1SOL     H5    5   0.159241  -0.166352   0.277054
+    1SOL     H6    6   0.081502  -0.100062   0.388773
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/336/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083538  -0.043700   0.016553
+    0SOL     H3    3   0.004498   0.007873  -0.095290
+    1SOL     O4    4  -0.012023   0.266943   0.094401
+    1SOL     H5    5  -0.095285   0.304111   0.065276
+    1SOL     H6    6  -0.009777   0.179576   0.055358
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/337/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066692  -0.055041  -0.041050
+    0SOL     H3    3   0.018316   0.088156  -0.032485
+    1SOL     O4    4  -0.237044  -0.094129  -0.117628
+    1SOL     H5    5  -0.251169  -0.180859  -0.079670
+    1SOL     H6    6  -0.155906  -0.063222  -0.077333
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/338/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003344   0.048450   0.082485
+    0SOL     H3    3  -0.081444   0.028616  -0.041356
+    1SOL     O4    4  -0.235578   0.289047  -0.033263
+    1SOL     H5    5  -0.245250   0.208416  -0.083934
+    1SOL     H6    6  -0.297639   0.350042  -0.073142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/339/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066933  -0.038492   0.056574
+    0SOL     H3    3   0.004291   0.091761   0.026904
+    1SOL     O4    4   0.258715  -0.093083   0.069808
+    1SOL     H5    5   0.279799  -0.095327   0.163150
+    1SOL     H6    6   0.170637  -0.055800   0.065990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/340/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070535   0.037905  -0.052445
+    0SOL     H3    3   0.022521  -0.081292  -0.045241
+    1SOL     O4    4  -0.013965  -0.047437   0.276620
+    1SOL     H5    5   0.003198  -0.037351   0.182992
+    1SOL     H6    6  -0.011416  -0.141969   0.291438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/341/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028752  -0.087574   0.025814
+    0SOL     H3    3   0.079522   0.053199   0.002916
+    1SOL     O4    4   0.003789  -0.265149   0.073917
+    1SOL     H5    5   0.005876  -0.248400   0.168137
+    1SOL     H6    6   0.092405  -0.294531   0.052797
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/342/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012593   0.025361  -0.091436
+    0SOL     H3    3  -0.015342   0.080448   0.049549
+    1SOL     O4    4   0.231366  -0.101003   0.078977
+    1SOL     H5    5   0.205841  -0.100035   0.171226
+    1SOL     H6    6   0.153168  -0.071797   0.032132
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/343/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004223  -0.028826   0.091179
+    0SOL     H3    3  -0.083544   0.046236  -0.006707
+    1SOL     O4    4   0.019270  -0.070820   0.279431
+    1SOL     H5    5  -0.055097  -0.018091   0.308612
+    1SOL     H6    6   0.094382  -0.034355   0.326238
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/344/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030839  -0.007315  -0.090320
+    0SOL     H3    3  -0.007136  -0.090508   0.030327
+    1SOL     O4    4  -0.021269  -0.025279  -0.277287
+    1SOL     H5    5  -0.003868  -0.119358  -0.280245
+    1SOL     H6    6   0.056254   0.014716  -0.316693
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/345/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080044  -0.029965   0.043098
+    0SOL     H3    3  -0.020609   0.083119   0.042765
+    1SOL     O4    4   0.195352  -0.144016   0.091597
+    1SOL     H5    5   0.177947  -0.238138   0.092229
+    1SOL     H6    6   0.280505  -0.135645   0.048687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/346/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075213  -0.056166   0.018728
+    0SOL     H3    3   0.074475  -0.045864   0.038889
+    1SOL     O4    4   0.249079  -0.067781   0.081174
+    1SOL     H5    5   0.269803  -0.059146   0.174224
+    1SOL     H6    6   0.234634  -0.161539   0.068405
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/347/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008083   0.089413  -0.033201
+    0SOL     H3    3  -0.012613   0.010467   0.094306
+    1SOL     O4    4   0.009162   0.264056  -0.107251
+    1SOL     H5    5  -0.059949   0.319986  -0.071787
+    1SOL     H6    6   0.090600   0.306781  -0.080703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/348/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015924   0.043570  -0.083728
+    0SOL     H3    3  -0.081716   0.038347   0.031849
+    1SOL     O4    4   0.242578   0.127666   0.098658
+    1SOL     H5    5   0.262081   0.104970   0.189580
+    1SOL     H6    6   0.176727   0.063703   0.071552
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/349/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075828  -0.042579  -0.039993
+    0SOL     H3    3  -0.004335   0.085828  -0.042156
+    1SOL     O4    4   0.222021  -0.180753  -0.066121
+    1SOL     H5    5   0.216111  -0.160549  -0.159498
+    1SOL     H6    6   0.307499  -0.146813  -0.039587
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/350/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009350   0.094319  -0.013371
+    0SOL     H3    3  -0.003357  -0.010543   0.095078
+    1SOL     O4    4   0.013589   0.035453   0.282850
+    1SOL     H5    5   0.019054   0.129792   0.298100
+    1SOL     H6    6   0.092161  -0.000155   0.324335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/351/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069957  -0.047356  -0.045008
+    0SOL     H3    3   0.016903   0.076200  -0.055409
+    1SOL     O4    4   0.010899   0.241690  -0.134624
+    1SOL     H5    5   0.004649   0.245667  -0.230057
+    1SOL     H6    6  -0.065156   0.290791  -0.103527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/352/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024831  -0.001387   0.092433
+    0SOL     H3    3  -0.074777   0.040059  -0.044339
+    1SOL     O4    4  -0.080710  -0.016431   0.258251
+    1SOL     H5    5  -0.169855   0.013664   0.275848
+    1SOL     H6    6  -0.068548  -0.091057   0.316948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/353/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003752   0.024108   0.092558
+    0SOL     H3    3  -0.082948   0.036398  -0.030936
+    1SOL     O4    4  -0.050916  -0.012236   0.281538
+    1SOL     H5    5  -0.047077  -0.105391   0.303210
+    1SOL     H6    6   0.018623   0.027486   0.333967
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/354/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069079  -0.045482  -0.048185
+    0SOL     H3    3   0.003507   0.090041  -0.032289
+    1SOL     O4    4   0.006875   0.260874  -0.056162
+    1SOL     H5    5   0.007892   0.265771  -0.151751
+    1SOL     H6    6   0.068022   0.328918  -0.027994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/355/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001403  -0.018231  -0.093957
+    0SOL     H3    3  -0.064379  -0.060332   0.037117
+    1SOL     O4    4  -0.017087   0.262485   0.115136
+    1SOL     H5    5  -0.102577   0.282671   0.077106
+    1SOL     H6    6   0.005541   0.176722   0.079152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/356/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005256  -0.013892   0.094561
+    0SOL     H3    3   0.000930  -0.088192  -0.037197
+    1SOL     O4    4   0.253369   0.108231  -0.078207
+    1SOL     H5    5   0.232795   0.198979  -0.055760
+    1SOL     H6    6   0.182059   0.057243  -0.039770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/357/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018880  -0.093464  -0.008389
+    0SOL     H3    3   0.033212   0.009860   0.089230
+    1SOL     O4    4  -0.206032   0.142330  -0.077441
+    1SOL     H5    5  -0.136507   0.092431  -0.034562
+    1SOL     H6    6  -0.187501   0.133819  -0.170964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/358/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011938   0.013282  -0.094039
+    0SOL     H3    3   0.020429   0.084983   0.039024
+    1SOL     O4    4  -0.212497  -0.157405   0.081569
+    1SOL     H5    5  -0.282329  -0.094656   0.062906
+    1SOL     H6    6  -0.132191  -0.112487   0.055193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/359/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085995   0.033078   0.025941
+    0SOL     H3    3  -0.062151   0.052960   0.049948
+    1SOL     O4    4   0.023738  -0.283843   0.057051
+    1SOL     H5    5  -0.042505  -0.337666   0.013724
+    1SOL     H6    6  -0.006597  -0.193899   0.044717
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/360/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078036  -0.034027   0.043760
+    0SOL     H3    3   0.020040  -0.006603  -0.093365
+    1SOL     O4    4   0.194476  -0.140765   0.130423
+    1SOL     H5    5   0.188410  -0.148213   0.225659
+    1SOL     H6    6   0.286048  -0.118322   0.113891
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/361/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006519  -0.004437  -0.095395
+    0SOL     H3    3   0.006995   0.093298   0.020220
+    1SOL     O4    4   0.202703  -0.117267   0.130916
+    1SOL     H5    5   0.129088  -0.068762   0.093628
+    1SOL     H6    6   0.202802  -0.200634   0.083881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/362/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072623   0.030722   0.054263
+    0SOL     H3    3   0.063208   0.071865   0.001573
+    1SOL     O4    4  -0.028116   0.049748  -0.277641
+    1SOL     H5    5  -0.024548   0.031483  -0.183747
+    1SOL     H6    6  -0.022100  -0.036328  -0.319078
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/363/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068614   0.058007   0.033009
+    0SOL     H3    3   0.081140   0.035988   0.035826
+    1SOL     O4    4   0.245632   0.113876   0.120571
+    1SOL     H5    5   0.299321   0.055917   0.066528
+    1SOL     H6    6   0.256099   0.200304   0.080785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/364/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071927  -0.051858  -0.036049
+    0SOL     H3    3  -0.020984   0.090208  -0.024177
+    1SOL     O4    4  -0.074285  -0.039928   0.298595
+    1SOL     H5    5  -0.053586  -0.033660   0.205350
+    1SOL     H6    6  -0.003275  -0.092470   0.335463
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/365/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013794  -0.020577  -0.092459
+    0SOL     H3    3   0.066289  -0.051353   0.046164
+    1SOL     O4    4  -0.064265   0.270814   0.056773
+    1SOL     H5    5  -0.097482   0.265968   0.146414
+    1SOL     H6    6  -0.045969   0.179913   0.033012
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/366/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067206   0.050508  -0.045767
+    0SOL     H3    3  -0.078338   0.054834  -0.004326
+    1SOL     O4    4   0.022299   0.083596   0.284089
+    1SOL     H5    5   0.039481   0.064489   0.191883
+    1SOL     H6    6   0.107887   0.106755   0.320152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/367/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075149  -0.057887  -0.012806
+    0SOL     H3    3  -0.032114   0.086788  -0.024470
+    1SOL     O4    4  -0.235727  -0.151503  -0.042184
+    1SOL     H5    5  -0.216766  -0.153660  -0.135982
+    1SOL     H6    6  -0.227694  -0.242618  -0.013974
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/368/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087397   0.037237   0.011726
+    0SOL     H3    3  -0.014537  -0.094521  -0.004092
+    1SOL     O4    4  -0.224162   0.131184   0.044981
+    1SOL     H5    5  -0.255052   0.155409   0.132281
+    1SOL     H6    6  -0.212279   0.214677  -0.000296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/369/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005774  -0.012345   0.094745
+    0SOL     H3    3  -0.073982  -0.049494  -0.035203
+    1SOL     O4    4  -0.189613  -0.145946  -0.116081
+    1SOL     H5    5  -0.210469  -0.153592  -0.209188
+    1SOL     H6    6  -0.192946  -0.235809  -0.083282
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/370/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003211  -0.005295   0.095520
+    0SOL     H3    3  -0.078278   0.049621  -0.023930
+    1SOL     O4    4   0.232162   0.124551  -0.092002
+    1SOL     H5    5   0.153610   0.074414  -0.070133
+    1SOL     H6    6   0.215841   0.211687  -0.055901
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/371/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081940  -0.034513  -0.035454
+    0SOL     H3    3  -0.002185   0.091188  -0.029023
+    1SOL     O4    4   0.216353  -0.138559  -0.147016
+    1SOL     H5    5   0.300588  -0.114922  -0.108181
+    1SOL     H6    6   0.207846  -0.232469  -0.130558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/372/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054790  -0.015008  -0.077040
+    0SOL     H3    3   0.083552  -0.041447  -0.021529
+    1SOL     O4    4  -0.023045  -0.029299  -0.284047
+    1SOL     H5    5  -0.080892   0.027873  -0.334520
+    1SOL     H6    6  -0.023876  -0.112341  -0.331646
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/373/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002850   0.094914   0.012066
+    0SOL     H3    3  -0.075774  -0.032647   0.048527
+    1SOL     O4    4  -0.019625   0.271029   0.064291
+    1SOL     H5    5   0.070596   0.302961   0.062616
+    1SOL     H6    6  -0.028837   0.229620   0.150097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/374/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004510   0.032574   0.089894
+    0SOL     H3    3  -0.085253  -0.040844  -0.015031
+    1SOL     O4    4   0.007805   0.045414  -0.390552
+    1SOL     H5    5  -0.005838   0.136077  -0.363050
+    1SOL     H6    6  -0.077704   0.003848  -0.379469
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/375/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005896   0.006397  -0.095324
+    0SOL     H3    3  -0.005193  -0.093845   0.018122
+    1SOL     O4    4   0.233035   0.116853   0.076023
+    1SOL     H5    5   0.149453   0.077831   0.050455
+    1SOL     H6    6   0.226912   0.207858   0.046990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/376/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019230  -0.086558   0.036058
+    0SOL     H3    3   0.006937  -0.011405  -0.094785
+    1SOL     O4    4  -0.026524   0.022453  -0.278369
+    1SOL     H5    5  -0.093383   0.060942  -0.335034
+    1SOL     H6    6  -0.019693  -0.068431  -0.307622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/377/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051319   0.071013  -0.038546
+    0SOL     H3    3  -0.088162   0.012253  -0.035208
+    1SOL     O4    4   0.041385  -0.287703  -0.114320
+    1SOL     H5    5   0.044096  -0.204214  -0.067580
+    1SOL     H6    6  -0.034369  -0.333292  -0.077642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/378/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081811   0.041133  -0.027880
+    0SOL     H3    3  -0.013392  -0.093400  -0.016105
+    1SOL     O4    4   0.256437   0.117133  -0.037315
+    1SOL     H5    5   0.273908   0.132137  -0.130223
+    1SOL     H6    6   0.177343   0.063233  -0.036167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/379/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004679   0.004465  -0.095501
+    0SOL     H3    3   0.070672  -0.062088   0.017689
+    1SOL     O4    4   0.158125  -0.180682   0.334081
+    1SOL     H5    5   0.166643  -0.163842   0.240240
+    1SOL     H6    6   0.173566  -0.274718   0.343086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/380/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019475  -0.090613  -0.023922
+    0SOL     H3    3  -0.084136   0.045169  -0.006570
+    1SOL     O4    4  -0.225672   0.124887  -0.081112
+    1SOL     H5    5  -0.197284   0.110530  -0.171391
+    1SOL     H6    6  -0.217632   0.219386  -0.068166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/381/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084427  -0.029683  -0.033960
+    0SOL     H3    3  -0.063751  -0.060437  -0.038021
+    1SOL     O4    4  -0.016600  -0.010228   0.305602
+    1SOL     H5    5   0.075994   0.002873   0.326023
+    1SOL     H6    6  -0.020591  -0.008317   0.209984
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/382/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004809   0.009165   0.095159
+    0SOL     H3    3   0.068967   0.057499  -0.033163
+    1SOL     O4    4   0.233131   0.142985  -0.073107
+    1SOL     H5    5   0.234297   0.149093  -0.168625
+    1SOL     H6    6   0.223603   0.233474  -0.043387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/383/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023681  -0.033187   0.086603
+    0SOL     H3    3   0.082188   0.032917  -0.036385
+    1SOL     O4    4  -0.201666   0.077490  -0.162421
+    1SOL     H5    5  -0.184512   0.075955  -0.256579
+    1SOL     H6    6  -0.117097   0.057490  -0.122291
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/384/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078746  -0.027686  -0.046849
+    0SOL     H3    3   0.009015   0.092942  -0.021043
+    1SOL     O4    4   0.058991   0.265658  -0.095138
+    1SOL     H5    5   0.057624   0.226932  -0.182664
+    1SOL     H6    6  -0.029139   0.301045  -0.083173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/385/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076824   0.056964  -0.003920
+    0SOL     H3    3   0.074537   0.059928  -0.003898
+    1SOL     O4    4  -0.004958  -0.262532   0.102200
+    1SOL     H5    5   0.000746  -0.177419   0.058776
+    1SOL     H6    6   0.077855  -0.305741   0.081287
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/386/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014372  -0.084701  -0.042209
+    0SOL     H3    3   0.078694   0.050579  -0.020280
+    1SOL     O4    4   0.019422   0.033916   0.281893
+    1SOL     H5    5   0.028255   0.039432   0.186742
+    1SOL     H6    6   0.103377   0.065141   0.315640
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/387/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069676   0.050145   0.042345
+    0SOL     H3    3   0.080307   0.029559   0.042888
+    1SOL     O4    4  -0.022528  -0.064815  -0.269329
+    1SOL     H5    5  -0.008776  -0.053952  -0.175227
+    1SOL     H6    6  -0.108626  -0.026286  -0.285606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/388/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094342   0.008143   0.013987
+    0SOL     H3    3  -0.020308  -0.090085   0.025190
+    1SOL     O4    4  -0.234171   0.106465   0.069224
+    1SOL     H5    5  -0.242343   0.094155   0.163797
+    1SOL     H6    6  -0.140670   0.095938   0.051644
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/389/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000435  -0.034634  -0.089233
+    0SOL     H3    3  -0.066267  -0.051909   0.045568
+    1SOL     O4    4  -0.189691  -0.107418   0.162925
+    1SOL     H5    5  -0.212466  -0.100902   0.255667
+    1SOL     H6    6  -0.267362  -0.075683   0.116853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/390/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020960   0.009799  -0.092881
+    0SOL     H3    3   0.029134   0.081959   0.039953
+    1SOL     O4    4   0.045194   0.055603  -0.256968
+    1SOL     H5    5   0.117256   0.027063  -0.313137
+    1SOL     H6    6   0.030083   0.146804  -0.281797
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/391/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025526   0.016711   0.090728
+    0SOL     H3    3   0.060368  -0.074093   0.005312
+    1SOL     O4    4  -0.298410  -0.356658  -0.018748
+    1SOL     H5    5  -0.218783  -0.404003  -0.042836
+    1SOL     H6    6  -0.282934  -0.266992  -0.048460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/392/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080011   0.044983   0.027150
+    0SOL     H3    3   0.002992  -0.084014   0.045771
+    1SOL     O4    4   0.148678   0.183735  -0.326671
+    1SOL     H5    5   0.060800   0.149489  -0.310328
+    1SOL     H6    6   0.141431   0.277618  -0.309475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/393/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075965   0.057936  -0.005924
+    0SOL     H3    3   0.074191   0.055071  -0.025005
+    1SOL     O4    4   0.240701   0.114945  -0.070167
+    1SOL     H5    5   0.312977   0.072298  -0.024127
+    1SOL     H6    6   0.246625   0.206884  -0.044197
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/394/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020016  -0.019741   0.091499
+    0SOL     H3    3  -0.001723   0.095617  -0.004100
+    1SOL     O4    4   0.026443   0.024849   0.276696
+    1SOL     H5    5   0.022885   0.118617   0.295595
+    1SOL     H6    6   0.096175  -0.008396   0.333217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/395/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053132  -0.065916  -0.044658
+    0SOL     H3    3   0.083991  -0.001769  -0.045878
+    1SOL     O4    4  -0.229977  -0.174627  -0.074801
+    1SOL     H5    5  -0.298462  -0.118110  -0.039053
+    1SOL     H6    6  -0.242005  -0.258278  -0.029853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/396/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074114  -0.052000  -0.031070
+    0SOL     H3    3  -0.012916   0.086209  -0.039540
+    1SOL     O4    4  -0.032229   0.049323   0.288157
+    1SOL     H5    5  -0.004055   0.063869   0.197842
+    1SOL     H6    6   0.038064  -0.002645   0.327151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/397/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078989  -0.021619   0.049555
+    0SOL     H3    3  -0.024731  -0.082013  -0.042714
+    1SOL     O4    4  -0.013056  -0.280703  -0.117350
+    1SOL     H5    5  -0.013399  -0.285326  -0.212957
+    1SOL     H6    6  -0.096269  -0.320072  -0.091120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/398/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005912   0.093180  -0.021093
+    0SOL     H3    3   0.073987  -0.031687  -0.051810
+    1SOL     O4    4   0.265116  -0.023337  -0.092781
+    1SOL     H5    5   0.250471  -0.023939  -0.187373
+    1SOL     H6    6   0.291313  -0.113022  -0.071982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/399/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001282   0.029403  -0.091083
+    0SOL     H3    3   0.060455   0.059963   0.043726
+    1SOL     O4    4   0.022402   0.059988  -0.283383
+    1SOL     H5    5  -0.056560   0.096781  -0.323051
+    1SOL     H6    6   0.093794   0.113661  -0.317801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/400/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000675  -0.090011   0.032555
+    0SOL     H3    3   0.068828   0.044061   0.049836
+    1SOL     O4    4   0.016781  -0.019531   0.421857
+    1SOL     H5    5   0.013760  -0.051665   0.511972
+    1SOL     H6    6  -0.066381   0.026342   0.409936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/401/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020597   0.045273   0.081783
+    0SOL     H3    3  -0.073525   0.049063  -0.036731
+    1SOL     O4    4   0.235629   0.117082  -0.071493
+    1SOL     H5    5   0.152334   0.072035  -0.057526
+    1SOL     H6    6   0.298608   0.067990  -0.018710
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/402/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084363  -0.043498  -0.012378
+    0SOL     H3    3  -0.053196  -0.029307  -0.073984
+    1SOL     O4    4   0.194957   0.356671   0.284413
+    1SOL     H5    5   0.125283   0.309505   0.330056
+    1SOL     H6    6   0.185431   0.447423   0.313321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/403/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055637   0.035413  -0.069374
+    0SOL     H3    3   0.023766  -0.087520  -0.030623
+    1SOL     O4    4   0.081509  -0.253431  -0.049342
+    1SOL     H5    5   0.052615  -0.263263  -0.140066
+    1SOL     H6    6   0.155557  -0.313524  -0.041092
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/404/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017055  -0.078793  -0.051605
+    0SOL     H3    3  -0.061292   0.064967  -0.034424
+    1SOL     O4    4  -0.002710   0.054733   0.268195
+    1SOL     H5    5  -0.001824   0.035825   0.174365
+    1SOL     H6    6  -0.089897   0.090666   0.284613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/405/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013093   0.003498  -0.094756
+    0SOL     H3    3   0.075597   0.046078   0.036390
+    1SOL     O4    4   0.004414  -0.272597   0.078022
+    1SOL     H5    5   0.003720  -0.272445   0.173739
+    1SOL     H6    6   0.008542  -0.180057   0.053905
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/406/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008285   0.001242   0.095353
+    0SOL     H3    3  -0.087416  -0.023145  -0.031386
+    1SOL     O4    4   0.041531  -0.010497   0.267791
+    1SOL     H5    5   0.123674  -0.055452   0.287639
+    1SOL     H6    6   0.061416   0.082334   0.280013
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/407/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080689  -0.042780  -0.028662
+    0SOL     H3    3  -0.069824  -0.059047  -0.028292
+    1SOL     O4    4   0.200306  -0.170596  -0.054162
+    1SOL     H5    5   0.232813  -0.196232  -0.140466
+    1SOL     H6    6   0.203531  -0.251066  -0.002427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/408/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048761  -0.076237  -0.031187
+    0SOL     H3    3  -0.012989  -0.016388   0.093408
+    1SOL     O4    4  -0.026640  -0.037968   0.265605
+    1SOL     H5    5   0.024783  -0.086479   0.330139
+    1SOL     H6    6  -0.035331   0.049765   0.302884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/409/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003732   0.007865   0.095323
+    0SOL     H3    3   0.081959  -0.043381  -0.023728
+    1SOL     O4    4   0.058980   0.276755  -0.063007
+    1SOL     H5    5   0.052261   0.186270  -0.032517
+    1SOL     H6    6  -0.018953   0.319782  -0.027829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/410/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012909  -0.090161   0.029441
+    0SOL     H3    3   0.013656  -0.007321  -0.094458
+    1SOL     O4    4  -0.035354  -0.267972   0.075531
+    1SOL     H5    5   0.027854  -0.331886   0.042636
+    1SOL     H6    6  -0.120673  -0.303829   0.051093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/411/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007406   0.019604   0.093398
+    0SOL     H3    3   0.032446   0.081144  -0.039055
+    1SOL     O4    4   0.059215   0.256021  -0.143818
+    1SOL     H5    5   0.032553   0.230486  -0.232132
+    1SOL     H6    6   0.138683   0.307785  -0.156765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/412/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006960  -0.013764  -0.094469
+    0SOL     H3    3   0.087521   0.036683   0.012524
+    1SOL     O4    4   0.042006   0.457049   0.055691
+    1SOL     H5    5   0.045135   0.458777   0.151344
+    1SOL     H6    6   0.132354   0.440064   0.029027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/413/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073542  -0.042208  -0.044411
+    0SOL     H3    3   0.074730  -0.014805  -0.057954
+    1SOL     O4    4   0.230818  -0.117064  -0.106206
+    1SOL     H5    5   0.294703  -0.068202  -0.054307
+    1SOL     H6    6   0.248965  -0.208922  -0.086325
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/414/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080714  -0.048017  -0.018495
+    0SOL     H3    3   0.017607   0.089090  -0.030253
+    1SOL     O4    4  -0.241137  -0.131574  -0.080883
+    1SOL     H5    5  -0.173322  -0.078711  -0.038822
+    1SOL     H6    6  -0.225487  -0.120491  -0.174662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/415/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077607   0.054042   0.014797
+    0SOL     H3    3   0.073109   0.054525   0.029058
+    1SOL     O4    4  -0.234838   0.099867   0.065123
+    1SOL     H5    5  -0.305832   0.042722   0.035856
+    1SOL     H6    6  -0.248916   0.181829   0.017728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/416/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004327  -0.084960   0.043879
+    0SOL     H3    3   0.005991  -0.020811  -0.093238
+    1SOL     O4    4  -0.013972  -0.068207  -0.276450
+    1SOL     H5    5  -0.087306  -0.009006  -0.293172
+    1SOL     H6    6   0.063305  -0.019239  -0.304608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/417/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023792   0.014602   0.091559
+    0SOL     H3    3   0.005167   0.086689  -0.040258
+    1SOL     O4    4  -0.197291  -0.101498  -0.111153
+    1SOL     H5    5  -0.121670  -0.061495  -0.068218
+    1SOL     H6    6  -0.163533  -0.132580  -0.195157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/418/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080090   0.048237   0.020520
+    0SOL     H3    3  -0.012702  -0.030493  -0.089840
+    1SOL     O4    4   0.193728   0.167016   0.100232
+    1SOL     H5    5   0.134156   0.239797   0.118020
+    1SOL     H6    6   0.137411   0.097846   0.065500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/419/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071685  -0.048215   0.041217
+    0SOL     H3    3   0.079370  -0.039659   0.035916
+    1SOL     O4    4  -0.194880  -0.183221   0.083559
+    1SOL     H5    5  -0.285102  -0.154247   0.070041
+    1SOL     H6    6  -0.190235  -0.268348   0.040037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/420/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084560  -0.040701   0.018853
+    0SOL     H3    3   0.064606  -0.065132   0.027317
+    1SOL     O4    4   0.029863   0.259510   0.096479
+    1SOL     H5    5   0.110460   0.290792   0.055394
+    1SOL     H6    6   0.026341   0.166394   0.074585
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/421/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066743  -0.051336  -0.045523
+    0SOL     H3    3   0.017112  -0.015395   0.092911
+    1SOL     O4    4   0.288885   0.286057   0.213031
+    1SOL     H5    5   0.292813   0.288818   0.117431
+    1SOL     H6    6   0.298011   0.377423   0.240074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/422/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060266   0.005724  -0.074146
+    0SOL     H3    3  -0.023835   0.073838   0.056055
+    1SOL     O4    4   0.215330   0.136491  -0.124997
+    1SOL     H5    5   0.148460   0.085649  -0.079109
+    1SOL     H6    6   0.297227   0.113641  -0.081031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/423/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057902   0.041178  -0.064140
+    0SOL     H3    3   0.023292  -0.084145  -0.039234
+    1SOL     O4    4   0.223071   0.133199  -0.044210
+    1SOL     H5    5   0.197256   0.222332  -0.020734
+    1SOL     H6    6   0.141278   0.083487  -0.043257
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/424/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001937  -0.000038  -0.095700
+    0SOL     H3    3  -0.014069  -0.091502   0.024325
+    1SOL     O4    4  -0.037624  -0.271109   0.065489
+    1SOL     H5    5  -0.120402  -0.312967   0.041864
+    1SOL     H6    6   0.029555  -0.333296   0.037522
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/425/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083384   0.029014  -0.036982
+    0SOL     H3    3   0.010244  -0.089823  -0.031452
+    1SOL     O4    4   0.153612   0.447927  -0.021205
+    1SOL     H5    5   0.145572   0.426077   0.071640
+    1SOL     H6    6   0.063410   0.450640  -0.053120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/426/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004134   0.089020  -0.034937
+    0SOL     H3    3  -0.086548  -0.036810  -0.017799
+    1SOL     O4    4  -0.245255  -0.171606  -0.020781
+    1SOL     H5    5  -0.306252  -0.130676   0.040590
+    1SOL     H6    6  -0.264996  -0.130766  -0.105070
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/427/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007698  -0.081849   0.049028
+    0SOL     H3    3   0.032617  -0.021248  -0.087447
+    1SOL     O4    4  -0.190452   0.156069   0.095936
+    1SOL     H5    5  -0.116894   0.110822   0.054654
+    1SOL     H6    6  -0.182971   0.246581   0.065706
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/428/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082863  -0.025051  -0.040847
+    0SOL     H3    3   0.011901  -0.020243   0.092795
+    1SOL     O4    4  -0.063009   0.249940  -0.105374
+    1SOL     H5    5  -0.116624   0.312810  -0.057051
+    1SOL     H6    6  -0.045875   0.179753  -0.042584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/429/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063771   0.043585   0.056532
+    0SOL     H3    3  -0.078406   0.054610   0.005709
+    1SOL     O4    4  -0.227343   0.152602   0.021515
+    1SOL     H5    5  -0.305417   0.116420  -0.020409
+    1SOL     H6    6  -0.237139   0.247413   0.012725
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/430/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076857   0.042066  -0.038547
+    0SOL     H3    3  -0.006713  -0.083980  -0.045438
+    1SOL     O4    4   0.014067   0.027308   0.295693
+    1SOL     H5    5   0.020897   0.017782   0.200693
+    1SOL     H6    6  -0.065004  -0.021311   0.319065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/431/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067434   0.053133   0.042331
+    0SOL     H3    3   0.081444   0.025680   0.043241
+    1SOL     O4    4   0.253330   0.356429   0.005444
+    1SOL     H5    5   0.328230   0.380020   0.060178
+    1SOL     H6    6   0.278494   0.383803  -0.082759
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/432/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004736   0.014171  -0.094547
+    0SOL     H3    3  -0.084482   0.030489   0.033099
+    1SOL     O4    4  -0.073330   0.056169  -0.257658
+    1SOL     H5    5  -0.053452  -0.028757  -0.297088
+    1SOL     H6    6  -0.161255   0.077231  -0.289091
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/433/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003878  -0.007315  -0.095361
+    0SOL     H3    3   0.076557  -0.051760   0.024946
+    1SOL     O4    4  -0.263768  -0.180564   0.038122
+    1SOL     H5    5  -0.262582  -0.182050   0.133824
+    1SOL     H6    6  -0.204114  -0.109537   0.014483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/434/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004833  -0.005116   0.095461
+    0SOL     H3    3   0.018207  -0.089720  -0.027950
+    1SOL     O4    4  -0.230671   0.065047  -0.117416
+    1SOL     H5    5  -0.149397   0.030759  -0.080251
+    1SOL     H6    6  -0.215306   0.066061  -0.211889
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/435/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080686  -0.022198   0.046469
+    0SOL     H3    3  -0.003799   0.095053  -0.010624
+    1SOL     O4    4   0.262091  -0.058244   0.042973
+    1SOL     H5    5   0.253949  -0.086218   0.134151
+    1SOL     H6    6   0.174054  -0.029544   0.018722
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/436/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016459   0.018287  -0.092504
+    0SOL     H3    3  -0.047225  -0.081479   0.017128
+    1SOL     O4    4  -0.082869   0.071988  -0.266821
+    1SOL     H5    5  -0.090988  -0.016989  -0.301165
+    1SOL     H6    6   0.000976   0.103267  -0.300791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/437/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071845  -0.060508  -0.018423
+    0SOL     H3    3  -0.015627   0.029173   0.089817
+    1SOL     O4    4   0.035275  -0.014377   0.298261
+    1SOL     H5    5  -0.060166  -0.018364   0.292131
+    1SOL     H6    6   0.062936  -0.105941   0.301891
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/438/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042930   0.083825   0.017108
+    0SOL     H3    3   0.076431  -0.000022   0.057625
+    1SOL     O4    4   0.249660  -0.033513   0.100908
+    1SOL     H5    5   0.277877  -0.059343   0.188652
+    1SOL     H6    6   0.233824  -0.116256   0.055463
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/439/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006683   0.025418  -0.092041
+    0SOL     H3    3  -0.066392   0.052791   0.044357
+    1SOL     O4    4  -0.256176   0.159902   0.023334
+    1SOL     H5    5  -0.252737   0.155892   0.118909
+    1SOL     H6    6  -0.303019   0.080476  -0.002347
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/440/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080469   0.016140   0.049261
+    0SOL     H3    3  -0.070272   0.025289   0.059872
+    1SOL     O4    4  -0.018474  -0.265798   0.102447
+    1SOL     H5    5   0.069546  -0.299774   0.086306
+    1SOL     H6    6  -0.014935  -0.174888   0.072698
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/441/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006204  -0.086650  -0.040195
+    0SOL     H3    3   0.059189   0.048822  -0.057232
+    1SOL     O4    4  -0.247195   0.110042  -0.068197
+    1SOL     H5    5  -0.154828   0.088857  -0.054714
+    1SOL     H6    6  -0.247924   0.204141  -0.085721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/442/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001280  -0.037638   0.088000
+    0SOL     H3    3   0.075960  -0.040167  -0.042178
+    1SOL     O4    4  -0.034818  -0.087385   0.260533
+    1SOL     H5    5  -0.126977  -0.112848   0.265065
+    1SOL     H6    6  -0.033429   0.003269   0.291230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/443/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012402  -0.091129   0.026534
+    0SOL     H3    3   0.045054   0.040633   0.074036
+    1SOL     O4    4  -0.224145   0.147279   0.063336
+    1SOL     H5    5  -0.157688   0.090551   0.024248
+    1SOL     H6    6  -0.200343   0.151851   0.155937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/444/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023847  -0.090671  -0.019298
+    0SOL     H3    3   0.056859   0.025821  -0.072544
+    1SOL     O4    4  -0.052808  -0.262926  -0.058593
+    1SOL     H5    5  -0.047816  -0.296855  -0.147958
+    1SOL     H6    6  -0.139348  -0.289611  -0.027590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/445/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088410  -0.035586   0.008930
+    0SOL     H3    3   0.023503   0.028333   0.088358
+    1SOL     O4    4   0.191151  -0.130966  -0.141673
+    1SOL     H5    5   0.141186  -0.067050  -0.090873
+    1SOL     H6    6   0.157546  -0.215908  -0.113072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/446/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081244  -0.042234   0.027892
+    0SOL     H3    3   0.005927   0.088899   0.034988
+    1SOL     O4    4  -0.232338  -0.123206   0.075853
+    1SOL     H5    5  -0.217846  -0.132049   0.170056
+    1SOL     H6    6  -0.157331  -0.072564   0.044683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/447/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079252  -0.025122   0.047437
+    0SOL     H3    3  -0.069100  -0.053931   0.038457
+    1SOL     O4    4  -0.014274   0.014643  -0.297583
+    1SOL     H5    5   0.057821   0.077530  -0.300721
+    1SOL     H6    6  -0.032546   0.003719  -0.204260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/448/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077564   0.050758  -0.023869
+    0SOL     H3    3   0.072470   0.062123  -0.007152
+    1SOL     O4    4  -0.150775   0.133326  -0.312559
+    1SOL     H5    5  -0.081413   0.081648  -0.353553
+    1SOL     H6    6  -0.135847   0.222574  -0.343774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/449/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029570  -0.029578   0.086099
+    0SOL     H3    3   0.079897   0.028555  -0.044311
+    1SOL     O4    4   0.032495  -0.085404   0.251339
+    1SOL     H5    5  -0.045750  -0.066059   0.302970
+    1SOL     H6    6   0.103019  -0.038823   0.296271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/450/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036733   0.072652   0.050346
+    0SOL     H3    3  -0.083308   0.033491  -0.033174
+    1SOL     O4    4  -0.210427   0.119143  -0.113451
+    1SOL     H5    5  -0.236249   0.089988  -0.200890
+    1SOL     H6    6  -0.181454   0.209524  -0.125872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/451/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011391  -0.000968  -0.095035
+    0SOL     H3    3  -0.088094  -0.034738   0.013967
+    1SOL     O4    4   0.187077  -0.152614   0.162218
+    1SOL     H5    5   0.157932  -0.072624   0.118462
+    1SOL     H6    6   0.280713  -0.157716   0.143020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/452/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073156  -0.031142   0.053298
+    0SOL     H3    3   0.019221   0.092491  -0.015440
+    1SOL     O4    4  -0.036839  -0.147364  -0.241008
+    1SOL     H5    5   0.046744  -0.107018  -0.264425
+    1SOL     H6    6  -0.045395  -0.131966  -0.146923
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/453/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087950   0.036212  -0.010764
+    0SOL     H3    3  -0.008112  -0.061462   0.072931
+    1SOL     O4    4   0.001252  -0.180875   0.196749
+    1SOL     H5    5  -0.007018  -0.196901   0.290755
+    1SOL     H6    6  -0.062593  -0.239846   0.156643
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/454/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066408  -0.043157   0.053756
+    0SOL     H3    3   0.083206  -0.024029   0.040764
+    1SOL     O4    4  -0.031175  -0.046836  -0.260748
+    1SOL     H5    5  -0.039018  -0.036578  -0.165903
+    1SOL     H6    6  -0.115821  -0.018204  -0.295064
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/455/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093597   0.018898  -0.006699
+    0SOL     H3    3   0.023186   0.024984   0.089446
+    1SOL     O4    4  -0.251135   0.055946  -0.012110
+    1SOL     H5    5  -0.268550   0.059693   0.081937
+    1SOL     H6    6  -0.326803   0.010162  -0.048723
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/456/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071643  -0.049582   0.039639
+    0SOL     H3    3  -0.064275  -0.066426  -0.024872
+    1SOL     O4    4  -0.065156   0.250702   0.093734
+    1SOL     H5    5  -0.159546   0.265063   0.100561
+    1SOL     H6    6  -0.055955   0.155947   0.083779
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/457/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073856   0.059838   0.011269
+    0SOL     H3    3  -0.020370  -0.048467  -0.079990
+    1SOL     O4    4  -0.282437   0.168654   0.229362
+    1SOL     H5    5  -0.363780   0.118403   0.233894
+    1SOL     H6    6  -0.308136   0.258016   0.252084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/458/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000004   0.095562  -0.005491
+    0SOL     H3    3  -0.004447  -0.018650   0.093780
+    1SOL     O4    4  -0.072701   0.013315   0.268679
+    1SOL     H5    5  -0.161748   0.044791   0.284240
+    1SOL     H6    6  -0.062041  -0.059670   0.329686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/459/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009125   0.080124   0.051567
+    0SOL     H3    3   0.082578  -0.046572   0.013203
+    1SOL     O4    4  -0.324330  -0.119516   0.032781
+    1SOL     H5    5  -0.348648  -0.190555  -0.026587
+    1SOL     H6    6  -0.228834  -0.123921   0.037629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/460/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091671  -0.023877   0.013736
+    0SOL     H3    3   0.049636  -0.069359   0.043450
+    1SOL     O4    4   0.087464  -0.239779   0.096471
+    1SOL     H5    5   0.022183  -0.280904   0.039819
+    1SOL     H6    6   0.169618  -0.283511   0.074098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/461/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000508   0.091766   0.027224
+    0SOL     H3    3  -0.044866   0.000299  -0.084554
+    1SOL     O4    4   0.018069   0.262013   0.075024
+    1SOL     H5    5  -0.024595   0.336630   0.032901
+    1SOL     H6    6   0.022747   0.286127   0.167538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/462/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089863   0.013693  -0.029989
+    0SOL     H3    3   0.006076  -0.073193   0.061385
+    1SOL     O4    4   0.229748   0.061248  -0.116615
+    1SOL     H5    5   0.301384   0.099606  -0.066027
+    1SOL     H6    6   0.272971   0.016913  -0.189613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/463/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036619   0.040662  -0.078536
+    0SOL     H3    3  -0.094114   0.016331  -0.006178
+    1SOL     O4    4   0.115672  -0.162869   0.199441
+    1SOL     H5    5   0.089862  -0.093490   0.138756
+    1SOL     H6    6   0.203736  -0.187762   0.171380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/464/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048751  -0.066299   0.048889
+    0SOL     H3    3   0.091965  -0.020956   0.016299
+    1SOL     O4    4   0.217684  -0.173921   0.060589
+    1SOL     H5    5   0.255902  -0.123627   0.132507
+    1SOL     H6    6   0.217802  -0.264391   0.091853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/465/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004903  -0.020152   0.093446
+    0SOL     H3    3  -0.093371  -0.004344  -0.020621
+    1SOL     O4    4  -0.322195   0.034662  -0.054672
+    1SOL     H5    5  -0.400500  -0.007357  -0.019106
+    1SOL     H6    6  -0.342421   0.048736  -0.147166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/466/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061293  -0.010748  -0.072732
+    0SOL     H3    3   0.086450  -0.010600  -0.039703
+    1SOL     O4    4  -0.112977  -0.006383  -0.241208
+    1SOL     H5    5  -0.107990   0.073330  -0.293964
+    1SOL     H6    6  -0.204230  -0.034339  -0.248531
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/467/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023408   0.092615  -0.006072
+    0SOL     H3    3   0.036393  -0.021240  -0.085946
+    1SOL     O4    4  -0.021282   0.257127  -0.098182
+    1SOL     H5    5  -0.092462   0.250400  -0.161825
+    1SOL     H6    6   0.058068   0.240545  -0.149083
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/468/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048330   0.012993   0.081595
+    0SOL     H3    3  -0.051966  -0.063911  -0.048757
+    1SOL     O4    4   0.266071  -0.005687  -0.065387
+    1SOL     H5    5   0.261929   0.085701  -0.037223
+    1SOL     H6    6   0.182387  -0.043107  -0.037835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/469/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022126   0.000622  -0.093126
+    0SOL     H3    3  -0.078744  -0.054133   0.005597
+    1SOL     O4    4  -0.143958   0.060666   0.374986
+    1SOL     H5    5  -0.093347  -0.020297   0.381754
+    1SOL     H6    6  -0.078276   0.128966   0.361449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/470/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082910  -0.043309  -0.020313
+    0SOL     H3    3  -0.065984  -0.068633  -0.009900
+    1SOL     O4    4  -0.171697  -0.239458  -0.015503
+    1SOL     H5    5  -0.215313  -0.194658  -0.087980
+    1SOL     H6    6  -0.242998  -0.266711   0.042253
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/471/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000623  -0.093253  -0.021585
+    0SOL     H3    3  -0.090310   0.017982   0.026135
+    1SOL     O4    4   0.252762   0.078124   0.068274
+    1SOL     H5    5   0.290584   0.003658   0.115036
+    1SOL     H6    6   0.165743   0.048215   0.041903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/472/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017072  -0.018048  -0.092440
+    0SOL     H3    3  -0.037128   0.086989   0.014723
+    1SOL     O4    4  -0.039913   0.272187   0.095633
+    1SOL     H5    5  -0.119974   0.302457   0.052780
+    1SOL     H6    6   0.028286   0.331154   0.063475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/473/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049495  -0.005815  -0.081723
+    0SOL     H3    3  -0.057205  -0.076738  -0.001076
+    1SOL     O4    4  -0.207605  -0.156290   0.088522
+    1SOL     H5    5  -0.300972  -0.143442   0.071788
+    1SOL     H6    6  -0.200117  -0.248455   0.113256
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/474/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018555   0.093709   0.006054
+    0SOL     H3    3  -0.083077  -0.011052   0.046243
+    1SOL     O4    4   0.084191  -0.183223   0.378421
+    1SOL     H5    5   0.026051  -0.238417   0.326117
+    1SOL     H6    6   0.026171  -0.118545   0.418580
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/475/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007985  -0.043640   0.084818
+    0SOL     H3    3   0.087113  -0.024278  -0.031374
+    1SOL     O4    4  -0.022872   0.297941   0.076324
+    1SOL     H5    5   0.047675   0.361083   0.090416
+    1SOL     H6    6   0.022005   0.214613   0.062014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/476/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074773   0.050060  -0.032639
+    0SOL     H3    3   0.046784   0.061104   0.056920
+    1SOL     O4    4   0.064059  -0.151598  -0.336233
+    1SOL     H5    5   0.014787  -0.212194  -0.280891
+    1SOL     H6    6   0.144364  -0.198904  -0.358042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/477/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042136   0.085582  -0.007913
+    0SOL     H3    3   0.010984  -0.012722   0.094233
+    1SOL     O4    4  -0.252064  -0.170024  -0.015518
+    1SOL     H5    5  -0.282802  -0.184545   0.073961
+    1SOL     H6    6  -0.165762  -0.129966  -0.005044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/478/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032259   0.054477   0.071791
+    0SOL     H3    3   0.024920   0.047528  -0.079262
+    1SOL     O4    4   0.119629   0.148668  -0.214193
+    1SOL     H5    5   0.082536   0.111619  -0.294279
+    1SOL     H6    6   0.212784   0.127123  -0.218688
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/479/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086682  -0.000488  -0.040598
+    0SOL     H3    3  -0.017224  -0.011169   0.093493
+    1SOL     O4    4  -0.214956  -0.006886  -0.134917
+    1SOL     H5    5  -0.273956   0.001627  -0.060025
+    1SOL     H6    6  -0.207751  -0.101262  -0.149186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/480/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065376   0.048784   0.050085
+    0SOL     H3    3  -0.025989   0.011875  -0.091356
+    1SOL     O4    4  -0.026034   0.361582   0.003687
+    1SOL     H5    5  -0.088490   0.290559   0.018433
+    1SOL     H6    6  -0.063391   0.436434   0.050205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/481/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080343   0.051731  -0.005590
+    0SOL     H3    3  -0.028647  -0.085398   0.032386
+    1SOL     O4    4  -0.196846  -0.188110   0.058695
+    1SOL     H5    5  -0.248705  -0.264657   0.033928
+    1SOL     H6    6  -0.257253  -0.114367   0.050017
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/482/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025248   0.024205  -0.089101
+    0SOL     H3    3  -0.018733   0.077969   0.052271
+    1SOL     O4    4   0.030064  -0.239797   0.122105
+    1SOL     H5    5  -0.058810  -0.261015   0.093582
+    1SOL     H6    6   0.048989  -0.155475   0.080947
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/483/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031226   0.084158  -0.033236
+    0SOL     H3    3  -0.042116  -0.041416  -0.075321
+    1SOL     O4    4   0.095298  -0.177966   0.241425
+    1SOL     H5    5   0.038273  -0.230164   0.184982
+    1SOL     H6    6   0.098700  -0.092095   0.199273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/484/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025598   0.092227  -0.001071
+    0SOL     H3    3   0.059857  -0.042237  -0.061607
+    1SOL     O4    4   0.118219   0.258916  -0.051970
+    1SOL     H5    5   0.205150   0.247338  -0.013614
+    1SOL     H6    6   0.091146   0.346394  -0.024097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/485/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062475  -0.033562  -0.064287
+    0SOL     H3    3   0.054123   0.027294   0.074081
+    1SOL     O4    4   0.232831  -0.098547  -0.166128
+    1SOL     H5    5   0.305423  -0.060317  -0.215436
+    1SOL     H6    6   0.240799  -0.192787  -0.180877
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/486/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006713  -0.031506  -0.090137
+    0SOL     H3    3  -0.016302   0.094118  -0.006198
+    1SOL     O4    4   0.148848   0.405577   0.077794
+    1SOL     H5    5   0.169277   0.494309   0.048270
+    1SOL     H6    6   0.087902   0.371872   0.012129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/487/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042902  -0.081920   0.024714
+    0SOL     H3    3   0.053791   0.034750  -0.071143
+    1SOL     O4    4   0.159941  -0.259192   0.042110
+    1SOL     H5    5   0.170182  -0.251305   0.136953
+    1SOL     H6    6   0.076747  -0.305135   0.030694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/488/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017631  -0.025748  -0.090490
+    0SOL     H3    3   0.095431  -0.001620   0.007253
+    1SOL     O4    4   0.055667  -0.266091   0.034413
+    1SOL     H5    5   0.066073  -0.268451   0.129537
+    1SOL     H6    6   0.022190  -0.178305   0.016104
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/489/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046137  -0.078286  -0.030082
+    0SOL     H3    3  -0.069284   0.064171   0.015624
+    1SOL     O4    4   0.080924  -0.057449   0.257317
+    1SOL     H5    5   0.025222   0.000696   0.309074
+    1SOL     H6    6   0.062979  -0.033268   0.166456
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/490/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064423   0.062936   0.032421
+    0SOL     H3    3   0.082333   0.048782  -0.001949
+    1SOL     O4    4  -0.057280  -0.260651   0.085899
+    1SOL     H5    5  -0.032793  -0.245023   0.177105
+    1SOL     H6    6  -0.058070  -0.173640   0.046016
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/491/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083100  -0.025174   0.040286
+    0SOL     H3    3   0.014234   0.089656  -0.030357
+    1SOL     O4    4  -0.237566  -0.161049   0.092538
+    1SOL     H5    5  -0.209408  -0.252234   0.099940
+    1SOL     H6    6  -0.156444  -0.111831   0.079924
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/492/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000687  -0.054747  -0.078515
+    0SOL     H3    3  -0.009781  -0.061803   0.072437
+    1SOL     O4    4  -0.006632   0.253545   0.122693
+    1SOL     H5    5   0.002784   0.174686   0.069261
+    1SOL     H6    6  -0.039372   0.319905   0.061975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/493/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073810  -0.023963   0.056038
+    0SOL     H3    3  -0.010620   0.094198   0.013276
+    1SOL     O4    4   0.374988  -0.088161  -0.168345
+    1SOL     H5    5   0.331135  -0.123349  -0.245811
+    1SOL     H6    6   0.460532  -0.059357  -0.200201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/494/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071616  -0.037953   0.050921
+    0SOL     H3    3  -0.010824   0.094563   0.010146
+    1SOL     O4    4  -0.047214   0.254042   0.067326
+    1SOL     H5    5  -0.085393   0.248940   0.154953
+    1SOL     H6    6  -0.116516   0.291726   0.013109
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/495/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025374   0.043491  -0.081406
+    0SOL     H3    3   0.069232  -0.060832  -0.025860
+    1SOL     O4    4   0.148570  -0.206534  -0.128914
+    1SOL     H5    5   0.187796  -0.257166  -0.057780
+    1SOL     H6    6   0.129632  -0.271264  -0.196839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/496/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000420   0.053917   0.079089
+    0SOL     H3    3   0.088414   0.009891  -0.035319
+    1SOL     O4    4  -0.228582  -0.104866  -0.103937
+    1SOL     H5    5  -0.136663  -0.082417  -0.089473
+    1SOL     H6    6  -0.277383  -0.031637  -0.066277
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/497/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073978  -0.029237  -0.053243
+    0SOL     H3    3  -0.037782   0.017049   0.086280
+    1SOL     O4    4  -0.215344  -0.085620  -0.137415
+    1SOL     H5    5  -0.261319  -0.156331  -0.092153
+    1SOL     H6    6  -0.209557  -0.115075  -0.228306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/498/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072086   0.050927   0.037046
+    0SOL     H3    3  -0.013605  -0.071268   0.062435
+    1SOL     O4    4  -0.201218   0.169835   0.068715
+    1SOL     H5    5  -0.120461   0.127344   0.039818
+    1SOL     H6    6  -0.186629   0.262958   0.052053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/499/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063403   0.062464   0.035223
+    0SOL     H3    3  -0.085304   0.036946   0.022815
+    1SOL     O4    4  -0.264710   0.052507   0.091540
+    1SOL     H5    5  -0.318330   0.063802   0.013056
+    1SOL     H6    6  -0.260654   0.139800   0.130601
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/500/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013523   0.093555  -0.015062
+    0SOL     H3    3  -0.026829  -0.041620  -0.081916
+    1SOL     O4    4  -0.217348   0.133574  -0.320394
+    1SOL     H5    5  -0.169399   0.050870  -0.315574
+    1SOL     H6    6  -0.225023   0.151437  -0.414119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/501/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010816   0.092159  -0.023494
+    0SOL     H3    3  -0.085815  -0.023801  -0.035093
+    1SOL     O4    4   0.339308   0.036827  -0.220048
+    1SOL     H5    5   0.333035   0.080883  -0.135300
+    1SOL     H6    6   0.295159  -0.047066  -0.206810
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/502/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009013  -0.025191   0.091905
+    0SOL     H3    3   0.052822   0.079799   0.002058
+    1SOL     O4    4   0.009983  -0.060807   0.265733
+    1SOL     H5    5  -0.079160  -0.041843   0.294995
+    1SOL     H6    6   0.059260   0.018769   0.285776
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/503/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094248  -0.016503  -0.002695
+    0SOL     H3    3   0.008200   0.085455   0.042339
+    1SOL     O4    4   0.203826  -0.167613  -0.162159
+    1SOL     H5    5   0.144414  -0.094972  -0.143294
+    1SOL     H6    6   0.179713  -0.196063  -0.250315
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/504/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072566   0.009869   0.061637
+    0SOL     H3    3  -0.042203  -0.016520  -0.084311
+    1SOL     O4    4  -0.221157  -0.114152  -0.192982
+    1SOL     H5    5  -0.296952  -0.056524  -0.183153
+    1SOL     H6    6  -0.258440  -0.202156  -0.198225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/505/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023003  -0.088121  -0.029459
+    0SOL     H3    3  -0.080067   0.021206  -0.047978
+    1SOL     O4    4   0.162942   0.260644  -0.099021
+    1SOL     H5    5   0.135715   0.173509  -0.070238
+    1SOL     H6    6   0.118272   0.320681  -0.039336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/506/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065992  -0.027140   0.063802
+    0SOL     H3    3  -0.035196   0.080396  -0.038210
+    1SOL     O4    4  -0.225976  -0.036453   0.151471
+    1SOL     H5    5  -0.303236   0.018414   0.164994
+    1SOL     H6    6  -0.259929  -0.125945   0.150716
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/507/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022994  -0.091504  -0.016144
+    0SOL     H3    3  -0.067672   0.050136  -0.045488
+    1SOL     O4    4   0.247144   0.021646  -0.141547
+    1SOL     H5    5   0.307968  -0.045999  -0.111766
+    1SOL     H6    6   0.176913   0.021088  -0.076512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/508/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059065   0.060864   0.044376
+    0SOL     H3    3   0.078060   0.051980  -0.019160
+    1SOL     O4    4  -0.214926   0.194570   0.085299
+    1SOL     H5    5  -0.303603   0.160611   0.097356
+    1SOL     H6    6  -0.226159   0.271937   0.030068
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/509/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029849  -0.054413   0.072874
+    0SOL     H3    3   0.078381   0.014092  -0.053105
+    1SOL     O4    4  -0.002650  -0.092205   0.254720
+    1SOL     H5    5   0.080769  -0.055943   0.284530
+    1SOL     H6    6   0.017494  -0.182877   0.231588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/510/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009919  -0.092179   0.023810
+    0SOL     H3    3  -0.020248  -0.001421  -0.093543
+    1SOL     O4    4   0.097323   0.007435  -0.300133
+    1SOL     H5    5   0.185652  -0.029163  -0.295563
+    1SOL     H6    6   0.110301   0.098016  -0.328223
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/511/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085347   0.016899  -0.039909
+    0SOL     H3    3   0.017067  -0.067847   0.065328
+    1SOL     O4    4   0.032852  -0.203169   0.181125
+    1SOL     H5    5   0.087872  -0.266312   0.134778
+    1SOL     H6    6  -0.025684  -0.256940   0.234459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/512/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048237   0.009127   0.082171
+    0SOL     H3    3  -0.042640  -0.085446   0.006567
+    1SOL     O4    4   0.052304   0.076229   0.274704
+    1SOL     H5    5   0.082350  -0.005398   0.314660
+    1SOL     H6    6   0.110933   0.143194   0.309927
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/513/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082202   0.044936   0.019645
+    0SOL     H3    3   0.002974  -0.015272  -0.094447
+    1SOL     O4    4   0.096826  -0.056266  -0.264409
+    1SOL     H5    5   0.148485   0.004966  -0.316796
+    1SOL     H6    6   0.161813  -0.112165  -0.221813
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/514/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051564   0.034464   0.072909
+    0SOL     H3    3  -0.065118  -0.031945  -0.062462
+    1SOL     O4    4   0.237297  -0.136487   0.073594
+    1SOL     H5    5   0.222403  -0.229827   0.088701
+    1SOL     H6    6   0.158278  -0.106545   0.028630
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/515/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059843   0.065671   0.035615
+    0SOL     H3    3   0.031108  -0.082966   0.036212
+    1SOL     O4    4   0.253747  -0.044807   0.178196
+    1SOL     H5    5   0.275400  -0.121932   0.230592
+    1SOL     H6    6   0.336441  -0.019810   0.136975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/516/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067224  -0.055106  -0.040082
+    0SOL     H3    3  -0.009054   0.084612  -0.043831
+    1SOL     O4    4  -0.181507  -0.084852  -0.203030
+    1SOL     H5    5  -0.181833  -0.005148  -0.256034
+    1SOL     H6    6  -0.268571  -0.087642  -0.163352
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/517/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040380  -0.061779   0.060952
+    0SOL     H3    3  -0.048559   0.081498   0.012745
+    1SOL     O4    4  -0.157865  -0.157509   0.164963
+    1SOL     H5    5  -0.124040  -0.134143   0.251405
+    1SOL     H6    6  -0.111582  -0.238107   0.142065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/518/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043945  -0.047170   0.070754
+    0SOL     H3    3   0.055362  -0.014743  -0.076681
+    1SOL     O4    4  -0.047615   0.276355   0.054877
+    1SOL     H5    5  -0.036388   0.181317   0.052875
+    1SOL     H6    6  -0.121404   0.290560   0.114171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/519/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006898  -0.015223  -0.094250
+    0SOL     H3    3  -0.023192   0.092546   0.007728
+    1SOL     O4    4  -0.164385  -0.220671   0.073150
+    1SOL     H5    5  -0.117114  -0.140436   0.051010
+    1SOL     H6    6  -0.229033  -0.193262   0.138202
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/520/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055170   0.078214  -0.001043
+    0SOL     H3    3   0.058198   0.012680   0.074930
+    1SOL     O4    4   0.198264  -0.037407   0.199648
+    1SOL     H5    5   0.193464  -0.083989   0.283131
+    1SOL     H6    6   0.291555  -0.036028   0.178265
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/521/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072641  -0.033771  -0.052394
+    0SOL     H3    3  -0.010615  -0.041756   0.085476
+    1SOL     O4    4  -0.074202  -0.120726   0.273339
+    1SOL     H5    5  -0.081932  -0.214559   0.256074
+    1SOL     H6    6  -0.162737  -0.093365   0.297327
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/522/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006188   0.007850   0.095197
+    0SOL     H3    3  -0.054507   0.071177  -0.033543
+    1SOL     O4    4   0.035281  -0.229456  -0.159174
+    1SOL     H5    5  -0.016462  -0.305562  -0.132851
+    1SOL     H6    6   0.004247  -0.158651  -0.102730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/523/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033916  -0.086657  -0.022417
+    0SOL     H3    3  -0.073053   0.043803   0.043668
+    1SOL     O4    4   0.035407  -0.215203  -0.182387
+    1SOL     H5    5  -0.014298  -0.206202  -0.263693
+    1SOL     H6    6  -0.007134  -0.287397  -0.136120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/524/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011718   0.092136   0.023149
+    0SOL     H3    3  -0.061379  -0.046934   0.056499
+    1SOL     O4    4  -0.176524  -0.081947   0.348994
+    1SOL     H5    5  -0.224667  -0.067591   0.267517
+    1SOL     H6    6  -0.194192  -0.173283   0.371534
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/525/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038718   0.034301   0.080540
+    0SOL     H3    3  -0.005548   0.075829  -0.058150
+    1SOL     O4    4   0.308634   0.200772  -0.141816
+    1SOL     H5    5   0.364945   0.134651  -0.101574
+    1SOL     H6    6   0.285844   0.259812  -0.070003
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/526/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027709   0.053048  -0.074702
+    0SOL     H3    3  -0.027624  -0.083149  -0.038542
+    1SOL     O4    4   0.115590   0.067407  -0.251647
+    1SOL     H5    5   0.148976   0.150951  -0.284329
+    1SOL     H6    6   0.178138   0.002397  -0.283645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/527/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028200   0.090513  -0.013210
+    0SOL     H3    3   0.084267  -0.005699  -0.045042
+    1SOL     O4    4  -0.113723   0.244514  -0.095272
+    1SOL     H5    5  -0.146854   0.263325  -0.183084
+    1SOL     H6    6  -0.185591   0.268632  -0.036830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/528/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044817  -0.076770  -0.035497
+    0SOL     H3    3   0.069925   0.053149   0.038052
+    1SOL     O4    4   0.190683   0.127598   0.167525
+    1SOL     H5    5   0.121930   0.151066   0.229853
+    1SOL     H6    6   0.215570   0.038390   0.191711
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/529/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030008   0.066742   0.061704
+    0SOL     H3    3  -0.011723  -0.078548   0.053434
+    1SOL     O4    4   0.089892   0.221455   0.134423
+    1SOL     H5    5   0.052935   0.226798   0.222559
+    1SOL     H6    6   0.177286   0.184572   0.147241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/530/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004432   0.064352  -0.070721
+    0SOL     H3    3  -0.087285   0.001441   0.039263
+    1SOL     O4    4  -0.070120  -0.261388  -0.106386
+    1SOL     H5    5  -0.037725  -0.175934  -0.077919
+    1SOL     H6    6  -0.094812  -0.305912  -0.025328
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/531/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053256   0.076164   0.022918
+    0SOL     H3    3   0.089316   0.025252   0.023394
+    1SOL     O4    4  -0.186026   0.206610   0.064549
+    1SOL     H5    5  -0.215592   0.297487   0.059108
+    1SOL     H6    6  -0.222608   0.174362   0.146914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/532/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018833   0.093587   0.007007
+    0SOL     H3    3  -0.080616  -0.042915   0.028664
+    1SOL     O4    4   0.123731  -0.045574  -0.227059
+    1SOL     H5    5   0.202438  -0.095465  -0.205185
+    1SOL     H6    6   0.084672  -0.024018  -0.142371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/533/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060693  -0.001258   0.074007
+    0SOL     H3    3   0.081432   0.034798   0.036334
+    1SOL     O4    4   0.205265   0.141051   0.214394
+    1SOL     H5    5   0.238538   0.228756   0.195340
+    1SOL     H6    6   0.192074   0.140459   0.309199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/534/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085075  -0.026359  -0.035067
+    0SOL     H3    3   0.023423   0.078150  -0.050062
+    1SOL     O4    4   0.130450  -0.235196   0.059659
+    1SOL     H5    5   0.214092  -0.236124   0.013125
+    1SOL     H6    6   0.099937  -0.144762   0.052377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/535/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035684   0.062094   0.063508
+    0SOL     H3    3   0.076011  -0.049634  -0.030352
+    1SOL     O4    4  -0.125412  -0.286590   0.204496
+    1SOL     H5    5  -0.142101  -0.280581   0.110434
+    1SOL     H6    6  -0.161526  -0.205585   0.240500
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/536/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046710   0.082231  -0.014782
+    0SOL     H3    3  -0.046859  -0.064151  -0.053396
+    1SOL     O4    4   0.208275   0.019245  -0.162954
+    1SOL     H5    5   0.145388   0.032731  -0.092062
+    1SOL     H6    6   0.276652   0.084323  -0.147082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/537/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049863  -0.041272   0.070517
+    0SOL     H3    3   0.042523  -0.030140  -0.080285
+    1SOL     O4    4  -0.043633   0.176722  -0.365194
+    1SOL     H5    5  -0.056898   0.140654  -0.452860
+    1SOL     H6    6   0.016469   0.115419  -0.322862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/538/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024414  -0.088633  -0.026656
+    0SOL     H3    3   0.022658  -0.008185   0.092639
+    1SOL     O4    4  -0.164927  -0.213012  -0.105454
+    1SOL     H5    5  -0.220291  -0.134954  -0.103434
+    1SOL     H6    6  -0.197213  -0.267203  -0.033459
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/539/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050403   0.023468  -0.077917
+    0SOL     H3    3   0.033244  -0.087839  -0.018479
+    1SOL     O4    4   0.331906   0.223305  -0.164664
+    1SOL     H5    5   0.417277   0.262270  -0.145801
+    1SOL     H6    6   0.331779   0.140984  -0.115823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/540/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092581   0.001042   0.024288
+    0SOL     H3    3  -0.039768   0.068236   0.054080
+    1SOL     O4    4  -0.069250  -0.273728  -0.017546
+    1SOL     H5    5  -0.032044  -0.186230  -0.006494
+    1SOL     H6    6  -0.163759  -0.260799  -0.009598
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/541/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079839   0.039315   0.035248
+    0SOL     H3    3  -0.058333   0.074223  -0.015829
+    1SOL     O4    4   0.148568   0.205006   0.102865
+    1SOL     H5    5   0.125159   0.290010   0.140131
+    1SOL     H6    6   0.214457   0.169872   0.162752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/542/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089168   0.032403   0.012708
+    0SOL     H3    3  -0.022766   0.026682  -0.089063
+    1SOL     O4    4  -0.079347   0.379486  -0.149611
+    1SOL     H5    5   0.011292   0.348716  -0.149661
+    1SOL     H6    6  -0.074052   0.469793  -0.180898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/543/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094071  -0.004149   0.017198
+    0SOL     H3    3   0.014298   0.088305  -0.034061
+    1SOL     O4    4   0.113834   0.064303   0.226160
+    1SOL     H5    5   0.098601   0.047140   0.133232
+    1SOL     H6    6   0.184403   0.128963   0.227369
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/544/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073895   0.024019  -0.055901
+    0SOL     H3    3  -0.009496   0.055426   0.077460
+    1SOL     O4    4   0.144992   0.109217   0.234360
+    1SOL     H5    5   0.163318   0.190501   0.281471
+    1SOL     H6    6   0.227339   0.087805   0.190510
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/545/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057916   0.073226   0.021121
+    0SOL     H3    3  -0.015530  -0.016848  -0.092937
+    1SOL     O4    4  -0.188607   0.198796  -0.020884
+    1SOL     H5    5  -0.130298   0.270099  -0.046925
+    1SOL     H6    6  -0.276454   0.236417  -0.026357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/546/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016897   0.067819  -0.065402
+    0SOL     H3    3   0.017794   0.048355   0.080669
+    1SOL     O4    4   0.075105   0.079459   0.266593
+    1SOL     H5    5  -0.016358   0.090681   0.292494
+    1SOL     H6    6   0.112966   0.167092   0.273629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/547/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082648   0.041162  -0.025245
+    0SOL     H3    3   0.042639  -0.021132  -0.083053
+    1SOL     O4    4   0.162248  -0.091620  -0.196185
+    1SOL     H5    5   0.228909  -0.027449  -0.171676
+    1SOL     H6    6   0.146392  -0.075427  -0.289184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/548/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067654   0.024079  -0.063289
+    0SOL     H3    3   0.079004  -0.011956  -0.052705
+    1SOL     O4    4   0.022295   0.108092   0.262205
+    1SOL     H5    5   0.037047   0.103581   0.167737
+    1SOL     H6    6  -0.058437   0.158672   0.271499
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/549/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081009   0.049882  -0.010569
+    0SOL     H3    3   0.067845   0.056198  -0.037432
+    1SOL     O4    4   0.227443   0.142192  -0.071906
+    1SOL     H5    5   0.279205   0.105174  -0.143408
+    1SOL     H6    6   0.266384   0.105444   0.007438
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/550/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092244  -0.024976  -0.005432
+    0SOL     H3    3  -0.009570   0.037597   0.087505
+    1SOL     O4    4  -0.133348   0.173404  -0.179074
+    1SOL     H5    5  -0.124140   0.138117  -0.267574
+    1SOL     H6    6  -0.088575   0.109922  -0.123148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/551/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014985   0.017226  -0.092957
+    0SOL     H3    3   0.077410  -0.056274   0.001805
+    1SOL     O4    4  -0.314627  -0.156340  -0.241043
+    1SOL     H5    5  -0.255115  -0.231188  -0.245321
+    1SOL     H6    6  -0.281046  -0.095202  -0.306593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/552/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057323  -0.067974  -0.035439
+    0SOL     H3    3   0.037722   0.082094  -0.031623
+    1SOL     O4    4   0.191968  -0.281434   0.140871
+    1SOL     H5    5   0.109052  -0.237121   0.122880
+    1SOL     H6    6   0.258599  -0.223789   0.103458
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/553/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054086  -0.045830  -0.064317
+    0SOL     H3    3   0.089994  -0.020567  -0.025307
+    1SOL     O4    4  -0.154044  -0.147159  -0.194870
+    1SOL     H5    5  -0.176223  -0.078717  -0.258006
+    1SOL     H6    6  -0.236647  -0.192843  -0.178991
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/554/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081045   0.047769   0.017666
+    0SOL     H3    3  -0.063448   0.036817   0.061491
+    1SOL     O4    4  -0.074294   0.097184  -0.256888
+    1SOL     H5    5  -0.050328   0.058499  -0.172678
+    1SOL     H6    6  -0.017537   0.173822  -0.265114
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/555/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019542  -0.078635   0.050960
+    0SOL     H3    3  -0.027205   0.072466   0.056310
+    1SOL     O4    4  -0.067815   0.225780   0.147174
+    1SOL     H5    5  -0.060207   0.211983   0.241589
+    1SOL     H6    6  -0.034741   0.314502   0.133144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/556/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030327  -0.042464   0.080246
+    0SOL     H3    3  -0.080274   0.025719  -0.045354
+    1SOL     O4    4   0.191866   0.179031   0.031904
+    1SOL     H5    5   0.123484   0.113406   0.045303
+    1SOL     H6    6   0.225199   0.161341  -0.056064
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/557/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017138   0.055628   0.075988
+    0SOL     H3    3  -0.083397  -0.043810  -0.016968
+    1SOL     O4    4   0.201269  -0.225249   0.066691
+    1SOL     H5    5   0.118472  -0.179983   0.082752
+    1SOL     H6    6   0.191989  -0.309050   0.112008
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/558/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090788  -0.014476   0.026651
+    0SOL     H3    3   0.051931  -0.028786   0.075079
+    1SOL     O4    4  -0.260630   0.002486   0.094936
+    1SOL     H5    5  -0.262710   0.019222   0.189158
+    1SOL     H6    6  -0.349639  -0.025490   0.073560
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/559/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043688  -0.056241   0.063958
+    0SOL     H3    3  -0.087633  -0.037444  -0.008983
+    1SOL     O4    4   0.094086  -0.162231   0.226112
+    1SOL     H5    5   0.182237  -0.125515   0.232714
+    1SOL     H6    6   0.102436  -0.251071   0.260755
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/560/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005420  -0.024381  -0.092404
+    0SOL     H3    3   0.059981  -0.064049   0.038241
+    1SOL     O4    4  -0.085438   0.255289   0.070194
+    1SOL     H5    5  -0.072284   0.239729   0.163720
+    1SOL     H6    6  -0.081564   0.168227   0.030602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/561/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074493  -0.005196   0.059885
+    0SOL     H3    3  -0.030876   0.090260   0.007880
+    1SOL     O4    4  -0.209002   0.048943  -0.260175
+    1SOL     H5    5  -0.216577   0.142011  -0.281228
+    1SOL     H6    6  -0.281550   0.031948  -0.200089
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/562/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008142   0.082764  -0.047394
+    0SOL     H3    3  -0.088967  -0.029829  -0.018905
+    1SOL     O4    4  -0.001376   0.233566  -0.182126
+    1SOL     H5    5  -0.029464   0.218316  -0.272352
+    1SOL     H6    6  -0.081369   0.258853  -0.136038
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/563/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048518   0.072698  -0.039029
+    0SOL     H3    3  -0.041122  -0.044073  -0.074356
+    1SOL     O4    4  -0.048426  -0.252420   0.206512
+    1SOL     H5    5  -0.008876  -0.294521   0.282838
+    1SOL     H6    6  -0.085335  -0.324653   0.155696
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/564/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017747  -0.021142   0.091653
+    0SOL     H3    3  -0.036605  -0.080537  -0.036554
+    1SOL     O4    4  -0.120164   0.229349  -0.034469
+    1SOL     H5    5  -0.213493   0.226475  -0.055534
+    1SOL     H6    6  -0.100054   0.141389  -0.002517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/565/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005551  -0.095432   0.004929
+    0SOL     H3    3   0.090622   0.017489  -0.025380
+    1SOL     O4    4  -0.049497   0.151209  -0.246888
+    1SOL     H5    5  -0.040434   0.097426  -0.168227
+    1SOL     H6    6  -0.135081   0.193062  -0.237614
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/566/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054230  -0.017759  -0.076851
+    0SOL     H3    3   0.030204  -0.086240   0.028507
+    1SOL     O4    4   0.071276   0.272224  -0.000671
+    1SOL     H5    5   0.058538   0.177598   0.006110
+    1SOL     H6    6   0.121590   0.283952  -0.081251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/567/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047683   0.074538  -0.036505
+    0SOL     H3    3  -0.061975  -0.072793  -0.004755
+    1SOL     O4    4  -0.154967  -0.218399  -0.066756
+    1SOL     H5    5  -0.162356  -0.232145  -0.161195
+    1SOL     H6    6  -0.244858  -0.224721  -0.034478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/568/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092681  -0.007980  -0.022558
+    0SOL     H3    3   0.046386  -0.030973  -0.077790
+    1SOL     O4    4  -0.281562   0.013153  -0.039172
+    1SOL     H5    5  -0.334434   0.089152  -0.014862
+    1SOL     H6    6  -0.344668  -0.049842  -0.073980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/569/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089313  -0.033054  -0.009643
+    0SOL     H3    3   0.049535  -0.074364   0.034329
+    1SOL     O4    4   0.104525   0.251343   0.004345
+    1SOL     H5    5   0.070153   0.162933  -0.008479
+    1SOL     H6    6   0.199575   0.241052  -0.000335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/570/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062306   0.062037   0.037838
+    0SOL     H3    3   0.046200  -0.036622   0.075410
+    1SOL     O4    4  -0.175895  -0.273299  -0.129824
+    1SOL     H5    5  -0.126493  -0.280180  -0.211522
+    1SOL     H6    6  -0.114552  -0.302031  -0.062194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/571/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020080  -0.089392   0.027716
+    0SOL     H3    3  -0.016999   0.000310  -0.094198
+    1SOL     O4    4  -0.042206  -0.254446   0.072118
+    1SOL     H5    5  -0.085522  -0.336858   0.049884
+    1SOL     H6    6   0.018458  -0.277446   0.142498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/572/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073778  -0.035303  -0.049728
+    0SOL     H3    3   0.050623   0.049745  -0.064226
+    1SOL     O4    4   0.190247   0.153783  -0.134436
+    1SOL     H5    5   0.238029   0.105086  -0.201576
+    1SOL     H6    6   0.156504   0.230833  -0.180121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/573/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008239   0.088112   0.036479
+    0SOL     H3    3   0.026165   0.014049  -0.090996
+    1SOL     O4    4   0.113977  -0.238609   0.092931
+    1SOL     H5    5   0.175012  -0.274512   0.028526
+    1SOL     H6    6   0.101053  -0.147757   0.065705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/574/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031514  -0.023000  -0.087408
+    0SOL     H3    3   0.047150   0.082375  -0.012394
+    1SOL     O4    4  -0.120733  -0.157176  -0.215338
+    1SOL     H5    5  -0.097348  -0.248734  -0.230591
+    1SOL     H6    6  -0.215421  -0.158594  -0.201394
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/575/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063291  -0.029152  -0.065626
+    0SOL     H3    3  -0.025403  -0.046068   0.079967
+    1SOL     O4    4  -0.036498   0.263613   0.053583
+    1SOL     H5    5  -0.038939   0.319127  -0.024356
+    1SOL     H6    6   0.001637   0.181245   0.023194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/576/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027167  -0.086430   0.030890
+    0SOL     H3    3  -0.051430  -0.017735  -0.078758
+    1SOL     O4    4  -0.181739   0.119957   0.158666
+    1SOL     H5    5  -0.217645   0.200610   0.121678
+    1SOL     H6    6  -0.105859   0.100095   0.103803
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/577/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001645   0.059836  -0.074695
+    0SOL     H3    3  -0.053458   0.044861   0.065514
+    1SOL     O4    4   0.035331   0.100997  -0.255829
+    1SOL     H5    5   0.073309   0.013134  -0.256268
+    1SOL     H6    6   0.110864   0.159792  -0.256241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/578/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024287   0.004519  -0.092477
+    0SOL     H3    3   0.092368  -0.025100  -0.000645
+    1SOL     O4    4  -0.177953  -0.074987   0.220802
+    1SOL     H5    5  -0.142153  -0.030215   0.144146
+    1SOL     H6    6  -0.155034  -0.166999   0.207732
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/579/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063813   0.068340  -0.020490
+    0SOL     H3    3  -0.081118   0.047525   0.017990
+    1SOL     O4    4   0.086221  -0.121042   0.243330
+    1SOL     H5    5   0.130581  -0.048193   0.286776
+    1SOL     H6    6   0.071672  -0.090345   0.153840
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/580/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057609   0.033816  -0.068557
+    0SOL     H3    3  -0.006974  -0.095165  -0.007573
+    1SOL     O4    4  -0.217064   0.024681  -0.158509
+    1SOL     H5    5  -0.254505  -0.059761  -0.133407
+    1SOL     H6    6  -0.190883   0.013122  -0.249851
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/581/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036014  -0.076797   0.044356
+    0SOL     H3    3   0.082740   0.017096   0.044990
+    1SOL     O4    4   0.252501   0.039798   0.109738
+    1SOL     H5    5   0.278204  -0.047962   0.081454
+    1SOL     H6    6   0.218527   0.027458   0.198371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/582/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077131  -0.046512   0.032402
+    0SOL     H3    3   0.060174   0.001449   0.074426
+    1SOL     O4    4   0.159211  -0.031777   0.255001
+    1SOL     H5    5   0.172124   0.056840   0.288805
+    1SOL     H6    6   0.124342  -0.080975   0.329338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/583/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014120   0.086549   0.038368
+    0SOL     H3    3  -0.000157  -0.059689   0.074830
+    1SOL     O4    4   0.025468  -0.133462   0.243544
+    1SOL     H5    5   0.063108  -0.208530   0.289482
+    1SOL     H6    6  -0.067402  -0.135285   0.266655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/584/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078989   0.052073  -0.014541
+    0SOL     H3    3  -0.012256  -0.038470   0.086788
+    1SOL     O4    4  -0.048868  -0.104658   0.274576
+    1SOL     H5    5  -0.000468  -0.053520   0.339420
+    1SOL     H6    6   0.006273  -0.181199   0.258355
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/585/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094468   0.012256  -0.009379
+    0SOL     H3    3   0.029011   0.075429   0.051294
+    1SOL     O4    4   0.130167  -0.138572  -0.183760
+    1SOL     H5    5   0.078211  -0.097022  -0.114937
+    1SOL     H6    6   0.172980  -0.212326  -0.140291
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/586/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036129  -0.069195  -0.055400
+    0SOL     H3    3  -0.015358  -0.030403   0.089455
+    1SOL     O4    4  -0.125304  -0.166207   0.312772
+    1SOL     H5    5  -0.184123  -0.181423   0.238805
+    1SOL     H6    6  -0.051418  -0.225028   0.297175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/587/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017883  -0.048389  -0.080629
+    0SOL     H3    3  -0.052706  -0.044087   0.066639
+    1SOL     O4    4  -0.175725  -0.019001   0.230985
+    1SOL     H5    5  -0.249001  -0.080587   0.230978
+    1SOL     H6    6  -0.135911  -0.029083   0.317447
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/588/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052439  -0.080077  -0.000476
+    0SOL     H3    3  -0.053684  -0.005998  -0.079021
+    1SOL     O4    4   0.190612  -0.227716   0.002703
+    1SOL     H5    5   0.237401  -0.146982   0.024037
+    1SOL     H6    6   0.176657  -0.270417   0.087227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/589/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086937  -0.020291   0.034533
+    0SOL     H3    3  -0.051525  -0.078893   0.016837
+    1SOL     O4    4  -0.098203   0.240854  -0.040606
+    1SOL     H5    5  -0.059144   0.155884  -0.020191
+    1SOL     H6    6  -0.087158   0.292194   0.039422
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/590/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064054   0.067206   0.023297
+    0SOL     H3    3  -0.013607  -0.049266   0.080932
+    1SOL     O4    4   0.037878  -0.166852   0.252072
+    1SOL     H5    5   0.117410  -0.154762   0.303945
+    1SOL     H6    6  -0.030063  -0.120656   0.301187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/591/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073987   0.037545  -0.047735
+    0SOL     H3    3  -0.006276   0.052572   0.079744
+    1SOL     O4    4   0.386139  -0.154683   0.281730
+    1SOL     H5    5   0.383383  -0.222401   0.214137
+    1SOL     H6    6   0.321039  -0.182442   0.346180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/592/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051924   0.063030   0.049934
+    0SOL     H3    3  -0.018812   0.044511  -0.082627
+    1SOL     O4    4   0.130713  -0.276780  -0.002273
+    1SOL     H5    5   0.154216  -0.250093  -0.091142
+    1SOL     H6    6   0.067648  -0.210855   0.026694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/593/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047861  -0.078575   0.026412
+    0SOL     H3    3   0.019223  -0.013657  -0.092770
+    1SOL     O4    4  -0.160810  -0.208567   0.049094
+    1SOL     H5    5  -0.114657  -0.279454   0.093896
+    1SOL     H6    6  -0.240713  -0.195856   0.100244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/594/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088072  -0.035724  -0.011380
+    0SOL     H3    3   0.013960   0.092946   0.018124
+    1SOL     O4    4   0.302125  -0.054869   0.018211
+    1SOL     H5    5   0.290312  -0.146559  -0.006604
+    1SOL     H6    6   0.302879  -0.055816   0.113923
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/595/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077102   0.056653  -0.002839
+    0SOL     H3    3  -0.005570  -0.037375  -0.087945
+    1SOL     O4    4  -0.170556   0.186570   0.081980
+    1SOL     H5    5  -0.127321   0.107613   0.049441
+    1SOL     H6    6  -0.236408   0.154260   0.143478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/596/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087643   0.029568  -0.024635
+    0SOL     H3    3  -0.010922  -0.037126   0.087548
+    1SOL     O4    4  -0.220790   0.104918  -0.146324
+    1SOL     H5    5  -0.300720   0.069279  -0.107549
+    1SOL     H6    6  -0.202425   0.047386  -0.220588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/597/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054699  -0.048751  -0.061593
+    0SOL     H3    3   0.053294   0.006831   0.079218
+    1SOL     O4    4   0.117847   0.054292   0.240481
+    1SOL     H5    5   0.140796   0.145588   0.257823
+    1SOL     H6    6   0.201668   0.011268   0.223591
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/598/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084093  -0.011322  -0.044301
+    0SOL     H3    3  -0.002404  -0.062563   0.072405
+    1SOL     O4    4  -0.194410  -0.057555  -0.161035
+    1SOL     H5    5  -0.205386  -0.015611  -0.246373
+    1SOL     H6    6  -0.283709  -0.072941  -0.130194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/599/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034102   0.076430  -0.046452
+    0SOL     H3    3   0.008123   0.022631   0.092651
+    1SOL     O4    4   0.121077  -0.018995   0.286958
+    1SOL     H5    5   0.091800   0.072134   0.287759
+    1SOL     H6    6   0.080867  -0.057803   0.364672
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/000/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071856  -0.054827  -0.031511
+    0SOL     H3    3  -0.014940   0.085125  -0.041144
+    1SOL     O4    4   0.286367  -0.060441  -0.010420
+    1SOL     H5    5   0.192025  -0.044352  -0.008696
+    1SOL     H6    6   0.324596   0.016406   0.031953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/001/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065894   0.066405   0.020267
+    0SOL     H3    3   0.023940  -0.074976   0.054477
+    1SOL     O4    4  -0.236790   0.104512   0.046088
+    1SOL     H5    5  -0.153601   0.057165   0.046279
+    1SOL     H6    6  -0.303363   0.036035   0.039663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/002/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080998  -0.045784   0.022483
+    0SOL     H3    3  -0.006872  -0.008674  -0.095078
+    1SOL     O4    4  -0.161845  -0.274053  -0.078817
+    1SOL     H5    5  -0.235865  -0.332859  -0.093826
+    1SOL     H6    6  -0.193406  -0.188124  -0.106788
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/003/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078377  -0.054636   0.005853
+    0SOL     H3    3  -0.031868   0.084307  -0.032235
+    1SOL     O4    4  -0.220614  -0.154978  -0.032644
+    1SOL     H5    5  -0.210808  -0.249493  -0.021106
+    1SOL     H6    6  -0.297677  -0.132314   0.019415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/004/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094878  -0.012630   0.001000
+    0SOL     H3    3  -0.033640  -0.074737  -0.049447
+    1SOL     O4    4   0.250439  -0.101366  -0.026246
+    1SOL     H5    5   0.332178  -0.053201  -0.013547
+    1SOL     H6    6   0.266730  -0.187085   0.013114
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/005/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077163   0.055209  -0.012659
+    0SOL     H3    3   0.030500  -0.071400   0.055983
+    1SOL     O4    4   0.196008   0.185428   0.011601
+    1SOL     H5    5   0.180127   0.279677   0.006380
+    1SOL     H6    6   0.283695   0.173804  -0.024981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/006/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079503  -0.053252   0.002413
+    0SOL     H3    3  -0.027642   0.082608  -0.039676
+    1SOL     O4    4  -0.213276  -0.177831  -0.014811
+    1SOL     H5    5  -0.206620  -0.272153   0.000067
+    1SOL     H6    6  -0.295673  -0.152708   0.026923
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/007/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083304  -0.047120   0.001606
+    0SOL     H3    3  -0.064137  -0.065571  -0.027372
+    1SOL     O4    4  -0.141170  -0.221898  -0.141277
+    1SOL     H5    5  -0.221293  -0.269377  -0.119176
+    1SOL     H6    6  -0.156688  -0.188446  -0.229608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/008/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068991  -0.065604  -0.009931
+    0SOL     H3    3  -0.037965   0.080331  -0.035608
+    1SOL     O4    4  -0.104566   0.218577  -0.157065
+    1SOL     H5    5  -0.111842   0.306506  -0.119945
+    1SOL     H6    6  -0.070447   0.232566  -0.245397
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/009/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075260   0.059049   0.003381
+    0SOL     H3    3   0.030205  -0.079877   0.043240
+    1SOL     O4    4  -0.271637   0.063548   0.015131
+    1SOL     H5    5  -0.182380   0.033052  -0.001163
+    1SOL     H6    6  -0.325788   0.012586  -0.045143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/010/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088619  -0.032882  -0.015092
+    0SOL     H3    3   0.002152   0.084594  -0.044738
+    1SOL     O4    4   0.069209   0.020295   0.266772
+    1SOL     H5    5  -0.005247  -0.029573   0.300416
+    1SOL     H6    6   0.055994   0.022144   0.171987
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/011/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070011   0.065180  -0.003523
+    0SOL     H3    3   0.038501  -0.074067   0.046842
+    1SOL     O4    4   0.099323  -0.220098   0.132922
+    1SOL     H5    5   0.072043  -0.305900   0.100426
+    1SOL     H6    6   0.082908  -0.223794   0.227152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/012/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075282  -0.057194   0.014958
+    0SOL     H3    3   0.012752  -0.001428  -0.094856
+    1SOL     O4    4  -0.104135  -0.024105   0.339038
+    1SOL     H5    5  -0.185894  -0.073806   0.341772
+    1SOL     H6    6  -0.130595   0.064229   0.313362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/013/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053387   0.078491   0.012302
+    0SOL     H3    3   0.044778  -0.067679   0.050762
+    1SOL     O4    4   0.169602   0.104126   0.322683
+    1SOL     H5    5   0.178433   0.192600   0.358131
+    1SOL     H6    6   0.178995   0.115134   0.228063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/014/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082905  -0.032949   0.034689
+    0SOL     H3    3  -0.021211   0.030051  -0.088370
+    1SOL     O4    4   0.205382  -0.149027   0.053474
+    1SOL     H5    5   0.134788  -0.104269   0.006832
+    1SOL     H6    6   0.195053  -0.121665   0.144616
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/015/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086762   0.038658  -0.011843
+    0SOL     H3    3   0.056167   0.073848   0.023538
+    1SOL     O4    4  -0.257408   0.092136   0.023435
+    1SOL     H5    5  -0.324372   0.024252   0.015076
+    1SOL     H6    6  -0.292645   0.166715  -0.025131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/016/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081548  -0.044761   0.022554
+    0SOL     H3    3  -0.012329   0.028096  -0.090670
+    1SOL     O4    4   0.207544  -0.170424   0.044194
+    1SOL     H5    5   0.130854  -0.119340   0.018283
+    1SOL     H6    6   0.213388  -0.158536   0.138993
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/017/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067158   0.014239   0.066703
+    0SOL     H3    3   0.009979  -0.095111  -0.004088
+    1SOL     O4    4   0.200719   0.175904   0.017629
+    1SOL     H5    5   0.126422   0.115602   0.015195
+    1SOL     H6    6   0.167696   0.256303  -0.022468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/018/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077003  -0.036290   0.043771
+    0SOL     H3    3  -0.024739   0.004390  -0.092364
+    1SOL     O4    4  -0.081524  -0.005728  -0.257907
+    1SOL     H5    5  -0.154141  -0.068000  -0.261254
+    1SOL     H6    6  -0.112616   0.070079  -0.307395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/019/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066218   0.069089   0.002044
+    0SOL     H3    3   0.038456  -0.071603   0.050561
+    1SOL     O4    4   0.289530  -0.100542  -0.155620
+    1SOL     H5    5   0.217200  -0.162962  -0.149751
+    1SOL     H6    6   0.256254  -0.030452  -0.211679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/020/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027100   0.087883   0.026543
+    0SOL     H3    3   0.012548  -0.001350  -0.094884
+    1SOL     O4    4   0.030972   0.064653  -0.288457
+    1SOL     H5    5   0.024246   0.159989  -0.283158
+    1SOL     H6    6   0.119187   0.048645  -0.321985
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/021/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091412   0.027286   0.007856
+    0SOL     H3    3   0.048774   0.064447   0.051283
+    1SOL     O4    4  -0.244874   0.096170   0.024991
+    1SOL     H5    5  -0.314598   0.030637   0.022476
+    1SOL     H6    6  -0.284770   0.175079  -0.011669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/022/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080763   0.047910  -0.018557
+    0SOL     H3    3   0.029432  -0.083237   0.036983
+    1SOL     O4    4  -0.086586   0.006791  -0.238802
+    1SOL     H5    5  -0.024621   0.069991  -0.275249
+    1SOL     H6    6  -0.059594  -0.003386  -0.147532
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/023/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061753   0.072362   0.010613
+    0SOL     H3    3   0.044997  -0.075659   0.037594
+    1SOL     O4    4  -0.108630   0.006584  -0.278141
+    1SOL     H5    5  -0.036076   0.040554  -0.330528
+    1SOL     H6    6  -0.078264   0.013669  -0.187642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/024/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016766  -0.081164  -0.047892
+    0SOL     H3    3  -0.008054  -0.024436   0.092197
+    1SOL     O4    4  -0.109707   0.243089  -0.113284
+    1SOL     H5    5  -0.037758   0.306011  -0.108144
+    1SOL     H6    6  -0.077184   0.165644  -0.067384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/025/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075085  -0.058601   0.009508
+    0SOL     H3    3  -0.033652   0.074155  -0.050307
+    1SOL     O4    4  -0.223577  -0.166837  -0.026010
+    1SOL     H5    5  -0.194314  -0.257864  -0.030490
+    1SOL     H6    6  -0.308765  -0.171124   0.017429
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/026/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066604  -0.068730   0.001526
+    0SOL     H3    3  -0.036774   0.067801  -0.056683
+    1SOL     O4    4  -0.243731  -0.172516  -0.018035
+    1SOL     H5    5  -0.212717  -0.262671  -0.026557
+    1SOL     H6    6  -0.316887  -0.178015   0.043449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/027/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074266  -0.059191   0.011967
+    0SOL     H3    3  -0.037325   0.076948  -0.042990
+    1SOL     O4    4  -0.168089  -0.097262  -0.292117
+    1SOL     H5    5  -0.191848  -0.185085  -0.321864
+    1SOL     H6    6  -0.170635  -0.102772  -0.196590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/028/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005378  -0.089645  -0.033124
+    0SOL     H3    3  -0.003595  -0.009334   0.095196
+    1SOL     O4    4   0.166895   0.083926  -0.321558
+    1SOL     H5    5   0.103696   0.012103  -0.318465
+    1SOL     H6    6   0.125195   0.150233  -0.376575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/029/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005990  -0.082578  -0.048034
+    0SOL     H3    3  -0.035786  -0.019911   0.086517
+    1SOL     O4    4   0.264131   0.120245  -0.042648
+    1SOL     H5    5   0.187572   0.079562  -0.002078
+    1SOL     H6    6   0.237583   0.136380  -0.133187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/030/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060092   0.074124   0.007542
+    0SOL     H3    3   0.026307  -0.059465   0.070244
+    1SOL     O4    4   0.184103   0.185551   0.058684
+    1SOL     H5    5   0.269036   0.180015   0.014889
+    1SOL     H6    6   0.161466   0.278501   0.055487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/031/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080982  -0.050856  -0.004234
+    0SOL     H3    3  -0.024312   0.086608  -0.032716
+    1SOL     O4    4  -0.147300  -0.069307  -0.294581
+    1SOL     H5    5  -0.153547  -0.162530  -0.315383
+    1SOL     H6    6  -0.176699  -0.062972  -0.203709
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/032/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078546  -0.041271   0.035909
+    0SOL     H3    3  -0.016075   0.004235  -0.094266
+    1SOL     O4    4  -0.253263  -0.113790   0.037222
+    1SOL     H5    5  -0.279687  -0.201484   0.009404
+    1SOL     H6    6  -0.280154  -0.108587   0.128940
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/033/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002064  -0.080972  -0.051006
+    0SOL     H3    3  -0.017167  -0.028587   0.089724
+    1SOL     O4    4  -0.180298   0.215537   0.230075
+    1SOL     H5    5  -0.107327   0.260781   0.187760
+    1SOL     H6    6  -0.150832   0.201381   0.320040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/034/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080236   0.051184  -0.010228
+    0SOL     H3    3   0.030002  -0.086074   0.029213
+    1SOL     O4    4   0.160768   0.053101   0.276644
+    1SOL     H5    5   0.170038   0.146443   0.295713
+    1SOL     H6    6   0.213117   0.039423   0.197684
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/035/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090935   0.029092   0.006846
+    0SOL     H3    3   0.050375   0.067955   0.044798
+    1SOL     O4    4   0.120329   0.225944   0.124459
+    1SOL     H5    5   0.203703   0.264668   0.097785
+    1SOL     H6    6   0.132344   0.204475   0.216964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/036/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063396  -0.071488  -0.005718
+    0SOL     H3    3  -0.050886   0.078789  -0.019110
+    1SOL     O4    4   0.143872   0.282996   0.093590
+    1SOL     H5    5   0.212615   0.226611   0.129049
+    1SOL     H6    6   0.134754   0.255287   0.002423
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/037/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077370   0.036851  -0.042640
+    0SOL     H3    3   0.022584  -0.002153   0.092993
+    1SOL     O4    4   0.064927  -0.000180   0.285280
+    1SOL     H5    5   0.127814   0.071970   0.286679
+    1SOL     H6    6   0.111956  -0.073769   0.324462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/038/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075158  -0.030172   0.051022
+    0SOL     H3    3  -0.030788  -0.000434  -0.090632
+    1SOL     O4    4  -0.265256  -0.085696   0.027111
+    1SOL     H5    5  -0.274745  -0.170098  -0.017032
+    1SOL     H6    6  -0.281691  -0.104915   0.119430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/039/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069388   0.060871   0.025345
+    0SOL     H3    3   0.016348  -0.078279   0.052607
+    1SOL     O4    4  -0.183475  -0.288290  -0.058439
+    1SOL     H5    5  -0.252621  -0.240332  -0.104059
+    1SOL     H6    6  -0.180187  -0.248635   0.028618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/040/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095557  -0.004306  -0.003541
+    0SOL     H3    3  -0.029347  -0.067072  -0.061663
+    1SOL     O4    4  -0.037283   0.261907  -0.043445
+    1SOL     H5    5  -0.120421   0.292273  -0.006999
+    1SOL     H6    6  -0.048022   0.167181  -0.052045
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/041/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073454   0.061210   0.004503
+    0SOL     H3    3   0.029161  -0.076205   0.050048
+    1SOL     O4    4   0.107682  -0.212173   0.127744
+    1SOL     H5    5   0.106910  -0.298619   0.086648
+    1SOL     H6    6   0.075727  -0.227579   0.216648
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/042/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090271  -0.024824  -0.019933
+    0SOL     H3    3  -0.053401  -0.065125  -0.045491
+    1SOL     O4    4  -0.236731  -0.197268   0.214869
+    1SOL     H5    5  -0.314886  -0.251962   0.206961
+    1SOL     H6    6  -0.262109  -0.113425   0.176285
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/043/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064456  -0.068525  -0.017664
+    0SOL     H3    3  -0.036773   0.078551  -0.040496
+    1SOL     O4    4   0.084152  -0.003963   0.259140
+    1SOL     H5    5   0.016666  -0.050885   0.308194
+    1SOL     H6    6   0.043996   0.013838   0.174093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/044/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001186  -0.092495  -0.024607
+    0SOL     H3    3  -0.031005   0.000346   0.090559
+    1SOL     O4    4  -0.141978   0.183180  -0.138299
+    1SOL     H5    5  -0.089623   0.261019  -0.157332
+    1SOL     H6    6  -0.085005   0.128600  -0.084101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/045/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025638  -0.087102   0.030301
+    0SOL     H3    3  -0.092221   0.007734   0.024451
+    1SOL     O4    4  -0.252897   0.077106   0.068511
+    1SOL     H5    5  -0.334550   0.029397   0.083304
+    1SOL     H6    6  -0.278183   0.151643   0.014039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/046/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059945   0.060662  -0.043464
+    0SOL     H3    3   0.034270  -0.007951   0.089021
+    1SOL     O4    4   0.261702   0.127038  -0.043194
+    1SOL     H5    5   0.271939   0.221992  -0.036781
+    1SOL     H6    6   0.269835   0.108285  -0.136706
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/047/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064352  -0.070837  -0.001782
+    0SOL     H3    3  -0.048771   0.077440  -0.028050
+    1SOL     O4    4  -0.032064   0.282188   0.211327
+    1SOL     H5    5   0.056454   0.257717   0.184347
+    1SOL     H6    6  -0.037335   0.376168   0.193940
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/048/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007328  -0.083420  -0.046366
+    0SOL     H3    3  -0.004448  -0.023576   0.092665
+    1SOL     O4    4   0.247855   0.115729  -0.061390
+    1SOL     H5    5   0.171202   0.068906  -0.028311
+    1SOL     H6    6   0.229070   0.130006  -0.154157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/049/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081198   0.026282  -0.043340
+    0SOL     H3    3   0.025243  -0.015216   0.091069
+    1SOL     O4    4   0.142375  -0.268366   0.044712
+    1SOL     H5    5   0.137199  -0.362276   0.026919
+    1SOL     H6    6   0.061546  -0.248397   0.091937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/050/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092735  -0.020956  -0.011107
+    0SOL     H3    3  -0.046208  -0.073451  -0.040400
+    1SOL     O4    4   0.271937  -0.054795  -0.050825
+    1SOL     H5    5   0.331355   0.014390  -0.079898
+    1SOL     H6    6   0.327386  -0.114525  -0.000625
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/051/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078152  -0.030953   0.045787
+    0SOL     H3    3  -0.032831   0.033952  -0.083257
+    1SOL     O4    4   0.133553   0.207954   0.130770
+    1SOL     H5    5   0.222998   0.175123   0.121605
+    1SOL     H6    6   0.078886   0.140004   0.091316
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/052/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083683  -0.045968   0.006807
+    0SOL     H3    3  -0.022572   0.085711  -0.036146
+    1SOL     O4    4  -0.226528  -0.163164  -0.012027
+    1SOL     H5    5  -0.212860  -0.256261   0.005535
+    1SOL     H6    6  -0.311552  -0.143548   0.027324
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/053/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084043   0.043649  -0.013922
+    0SOL     H3    3   0.023272  -0.089004   0.026439
+    1SOL     O4    4  -0.262229   0.097939   0.025881
+    1SOL     H5    5  -0.174764   0.063787   0.007282
+    1SOL     H6    6  -0.321337   0.026109   0.003321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/054/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007208   0.094451   0.013764
+    0SOL     H3    3   0.026145  -0.013033  -0.091153
+    1SOL     O4    4  -0.244041  -0.089138   0.076466
+    1SOL     H5    5  -0.162987  -0.039863   0.063642
+    1SOL     H6    6  -0.238832  -0.120863   0.166626
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/055/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077444  -0.045194   0.033500
+    0SOL     H3    3  -0.016329   0.009234  -0.093864
+    1SOL     O4    4   0.215491  -0.164570   0.068411
+    1SOL     H5    5   0.147439  -0.123478   0.015095
+    1SOL     H6    6   0.197672  -0.134406   0.157489
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/056/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088422  -0.032234   0.017458
+    0SOL     H3    3  -0.002441   0.028486  -0.091350
+    1SOL     O4    4   0.150638   0.167833   0.170051
+    1SOL     H5    5   0.234578   0.122260   0.176321
+    1SOL     H6    6   0.103003   0.121065   0.101450
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/057/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087338   0.025804   0.029471
+    0SOL     H3    3  -0.007563  -0.092067   0.025076
+    1SOL     O4    4  -0.285993   0.057548   0.008934
+    1SOL     H5    5  -0.191530   0.053800  -0.006067
+    1SOL     H6    6  -0.322302  -0.008495  -0.050077
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/058/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025986  -0.091986  -0.005060
+    0SOL     H3    3  -0.004057   0.020986   0.093303
+    1SOL     O4    4  -0.133789   0.215699  -0.141458
+    1SOL     H5    5  -0.053749   0.264761  -0.122781
+    1SOL     H6    6  -0.121431   0.131811  -0.097047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/059/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086344  -0.035233   0.021579
+    0SOL     H3    3  -0.004190   0.017938  -0.093931
+    1SOL     O4    4   0.224316  -0.141372   0.085188
+    1SOL     H5    5   0.146751  -0.088453   0.066599
+    1SOL     H6    6   0.231687  -0.140455   0.180619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/060/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017350  -0.091197   0.023334
+    0SOL     H3    3  -0.084702   0.019351   0.040167
+    1SOL     O4    4   0.048067  -0.263393   0.054466
+    1SOL     H5    5   0.133000  -0.302386   0.033769
+    1SOL     H6    6  -0.015900  -0.323802   0.016766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/061/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090552  -0.027974  -0.013423
+    0SOL     H3    3  -0.051088  -0.054562  -0.059794
+    1SOL     O4    4   0.258699  -0.090704  -0.075125
+    1SOL     H5    5   0.320523  -0.017680  -0.072377
+    1SOL     H6    6   0.291251  -0.152196  -0.009387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/062/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082125  -0.032269   0.037101
+    0SOL     H3    3  -0.014525  -0.000623  -0.094609
+    1SOL     O4    4   0.224334  -0.158498   0.051863
+    1SOL     H5    5   0.140877  -0.118674   0.027138
+    1SOL     H6    6   0.246091  -0.118353   0.135990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/063/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078127  -0.055166  -0.003910
+    0SOL     H3    3  -0.029264   0.085350  -0.031957
+    1SOL     O4    4  -0.086236   0.264586   0.206751
+    1SOL     H5    5  -0.115625   0.354832   0.219169
+    1SOL     H6    6   0.004363   0.272735   0.176956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/064/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085356   0.040998  -0.013992
+    0SOL     H3    3   0.052265   0.067538   0.043236
+    1SOL     O4    4   0.141319   0.183451   0.114924
+    1SOL     H5    5   0.220677   0.236763   0.110195
+    1SOL     H6    6   0.130566   0.164639   0.208159
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/065/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.041139  -0.085628  -0.011740
+    0SOL     H3    3  -0.011592   0.019651   0.092961
+    1SOL     O4    4   0.241652   0.115267  -0.058015
+    1SOL     H5    5   0.167066   0.063676  -0.027395
+    1SOL     H6    6   0.223333   0.131340  -0.150580
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/066/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017612  -0.093278  -0.012305
+    0SOL     H3    3  -0.006169   0.013314   0.094589
+    1SOL     O4    4   0.246658   0.112096  -0.056708
+    1SOL     H5    5   0.162930   0.083325  -0.020319
+    1SOL     H6    6   0.224284   0.148981  -0.142155
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/067/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007760   0.069712   0.065133
+    0SOL     H3    3   0.024074   0.045256  -0.080837
+    1SOL     O4    4  -0.172935   0.426162  -0.004562
+    1SOL     H5    5  -0.253465   0.378083   0.014559
+    1SOL     H6    6  -0.164507   0.421941  -0.099817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/068/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081564  -0.039340   0.031016
+    0SOL     H3    3  -0.012308   0.009441  -0.094455
+    1SOL     O4    4  -0.252410  -0.107241   0.063163
+    1SOL     H5    5  -0.255115  -0.194924   0.024868
+    1SOL     H6    6  -0.270364  -0.121103   0.156157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/069/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068477   0.065471   0.013669
+    0SOL     H3    3   0.025242  -0.073230   0.056237
+    1SOL     O4    4  -0.123431  -0.030195  -0.278685
+    1SOL     H5    5  -0.033430  -0.003423  -0.297270
+    1SOL     H6    6  -0.126746  -0.038715  -0.183403
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/070/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007910   0.095392   0.000214
+    0SOL     H3    3   0.077112  -0.017566  -0.053921
+    1SOL     O4    4   0.238651   0.204021   0.178081
+    1SOL     H5    5   0.273305   0.115181   0.186375
+    1SOL     H6    6   0.158196   0.203336   0.229934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/071/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088832   0.027325  -0.022902
+    0SOL     H3    3   0.008769   0.022144   0.092710
+    1SOL     O4    4  -0.219625   0.159921   0.004418
+    1SOL     H5    5  -0.309664   0.128437   0.012417
+    1SOL     H6    6  -0.209543   0.180436  -0.088533
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/072/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066421   0.038398  -0.057238
+    0SOL     H3    3   0.044628  -0.012087   0.083813
+    1SOL     O4    4  -0.205191   0.195400  -0.023279
+    1SOL     H5    5  -0.137017   0.129970  -0.007997
+    1SOL     H6    6  -0.242168   0.172091  -0.108436
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/073/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069823  -0.044160   0.048341
+    0SOL     H3    3   0.004877  -0.036836  -0.088214
+    1SOL     O4    4   0.049482  -0.070687  -0.262117
+    1SOL     H5    5   0.134613  -0.114341  -0.259069
+    1SOL     H6    6  -0.011295  -0.138628  -0.291315
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/074/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092532  -0.023867  -0.005516
+    0SOL     H3    3  -0.043060  -0.055707  -0.064845
+    1SOL     O4    4   0.269517  -0.056288  -0.065110
+    1SOL     H5    5   0.327105   0.018836  -0.050887
+    1SOL     H6    6   0.317736  -0.130669  -0.028989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/075/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035837   0.086656  -0.019202
+    0SOL     H3    3   0.083533  -0.002307  -0.046682
+    1SOL     O4    4  -0.032205   0.275091  -0.065296
+    1SOL     H5    5  -0.123244   0.293276  -0.041983
+    1SOL     H6    6   0.016850   0.349453  -0.030279
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/076/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083479  -0.045676   0.010355
+    0SOL     H3    3  -0.058991  -0.065842  -0.036706
+    1SOL     O4    4  -0.038637   0.289602   0.019816
+    1SOL     H5    5  -0.019940   0.197214   0.003167
+    1SOL     H6    6  -0.115932   0.288650   0.076269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/077/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029899   0.075702   0.050374
+    0SOL     H3    3   0.038150   0.012417  -0.086906
+    1SOL     O4    4   0.145374  -0.223014   0.139103
+    1SOL     H5    5   0.066678  -0.276980   0.146649
+    1SOL     H6    6   0.112712  -0.136041   0.116055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/078/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072572   0.051145  -0.035775
+    0SOL     H3    3  -0.011254   0.005495   0.094897
+    1SOL     O4    4  -0.036334   0.024834   0.257098
+    1SOL     H5    5  -0.124846   0.060723   0.263419
+    1SOL     H6    6   0.020527   0.095798   0.286986
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/079/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019497   0.093706   0.001184
+    0SOL     H3    3   0.067058  -0.009708  -0.067612
+    1SOL     O4    4  -0.208894  -0.160684  -0.003879
+    1SOL     H5    5  -0.133158  -0.102149  -0.003841
+    1SOL     H6    6  -0.172895  -0.246519   0.018455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/080/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002064  -0.083807  -0.046201
+    0SOL     H3    3  -0.000692  -0.023697   0.092738
+    1SOL     O4    4  -0.037770  -0.271913  -0.036382
+    1SOL     H5    5   0.027853  -0.329424   0.002966
+    1SOL     H6    6  -0.045733  -0.302802  -0.126631
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/081/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075429   0.058734  -0.004802
+    0SOL     H3    3   0.036265  -0.083198   0.030419
+    1SOL     O4    4   0.136276  -0.229998   0.131999
+    1SOL     H5    5   0.124717  -0.320458   0.102918
+    1SOL     H6    6   0.112447  -0.231359   0.224696
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/082/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019890  -0.090176   0.025199
+    0SOL     H3    3  -0.082617   0.019600   0.044189
+    1SOL     O4    4  -0.244972   0.032440   0.152461
+    1SOL     H5    5  -0.317940   0.076287   0.108696
+    1SOL     H6    6  -0.259699   0.048564   0.245656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/083/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069212   0.048799  -0.044616
+    0SOL     H3    3  -0.017693   0.013013   0.093166
+    1SOL     O4    4  -0.206738   0.181728  -0.024135
+    1SOL     H5    5  -0.285726   0.141739   0.012254
+    1SOL     H6    6  -0.229901   0.202568  -0.114642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/084/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000928  -0.090479  -0.031224
+    0SOL     H3    3  -0.074290   0.040173  -0.045049
+    1SOL     O4    4   0.260374   0.083822  -0.062919
+    1SOL     H5    5   0.227533   0.130268  -0.139903
+    1SOL     H6    6   0.181823   0.049754  -0.020124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/085/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072396   0.048447  -0.039673
+    0SOL     H3    3  -0.012360   0.011291   0.094245
+    1SOL     O4    4  -0.020299  -0.267768  -0.030207
+    1SOL     H5    5  -0.025667  -0.174540  -0.009181
+    1SOL     H6    6  -0.016754  -0.270641  -0.125818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/086/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007085  -0.090622  -0.029997
+    0SOL     H3    3  -0.026604  -0.007077   0.091676
+    1SOL     O4    4   0.266607   0.071929  -0.053406
+    1SOL     H5    5   0.178628   0.050157  -0.022618
+    1SOL     H6    6   0.253586   0.103719  -0.142748
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/087/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077775  -0.052651   0.018475
+    0SOL     H3    3  -0.013756  -0.009753  -0.094223
+    1SOL     O4    4  -0.244657   0.010338   0.136983
+    1SOL     H5    5  -0.274994   0.100068   0.150787
+    1SOL     H6    6  -0.157511   0.020104   0.098611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/088/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066670   0.053951  -0.042506
+    0SOL     H3    3  -0.010409   0.018149   0.093406
+    1SOL     O4    4  -0.233933   0.193650  -0.026724
+    1SOL     H5    5  -0.298784   0.124395  -0.014057
+    1SOL     H6    6  -0.223362   0.199553  -0.121675
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/089/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082344  -0.034407   0.034612
+    0SOL     H3    3  -0.004083  -0.033219  -0.089678
+    1SOL     O4    4  -0.219517   0.015048   0.146539
+    1SOL     H5    5  -0.255688   0.103393   0.153545
+    1SOL     H6    6  -0.142135   0.025123   0.091107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/090/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014451   0.092078   0.021798
+    0SOL     H3    3   0.087845  -0.002175  -0.037957
+    1SOL     O4    4   0.220895  -0.009372  -0.145968
+    1SOL     H5    5   0.286447  -0.075030  -0.122425
+    1SOL     H6    6   0.213743  -0.015677  -0.241211
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/091/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072527   0.062286   0.004749
+    0SOL     H3    3   0.020912  -0.066252   0.065846
+    1SOL     O4    4  -0.099785  -0.026087  -0.262362
+    1SOL     H5    5  -0.011526  -0.002500  -0.290933
+    1SOL     H6    6  -0.090613  -0.044584  -0.168896
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/092/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086580  -0.029707  -0.027996
+    0SOL     H3    3  -0.059272  -0.070262  -0.026691
+    1SOL     O4    4  -0.113124  -0.227979  -0.134805
+    1SOL     H5    5  -0.196604  -0.261961  -0.102576
+    1SOL     H6    6  -0.134817  -0.186073  -0.218086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/093/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071311  -0.063840   0.001222
+    0SOL     H3    3  -0.077863  -0.051402  -0.021390
+    1SOL     O4    4  -0.162650  -0.209100  -0.177494
+    1SOL     H5    5  -0.250357  -0.239259  -0.153824
+    1SOL     H6    6  -0.164791  -0.201580  -0.272894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/094/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081881  -0.012160   0.048062
+    0SOL     H3    3   0.061775  -0.059591   0.042369
+    1SOL     O4    4   0.223040  -0.157512   0.040135
+    1SOL     H5    5   0.297261  -0.113591  -0.001392
+    1SOL     H6    6   0.241662  -0.152629   0.133899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/095/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087732   0.036722   0.010810
+    0SOL     H3    3   0.057093   0.059555   0.048538
+    1SOL     O4    4   0.320260  -0.023754  -0.079165
+    1SOL     H5    5   0.323571  -0.119150  -0.086299
+    1SOL     H6    6   0.305549  -0.007147   0.013949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/096/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063957  -0.059479   0.039168
+    0SOL     H3    3  -0.003263  -0.025589  -0.092178
+    1SOL     O4    4   0.006111   0.200447  -0.257897
+    1SOL     H5    5   0.021281   0.105954  -0.259735
+    1SOL     H6    6  -0.086405   0.209460  -0.235053
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066157   0.047097  -0.050670
+    0SOL     H3    3  -0.009098   0.034152   0.088956
+    1SOL     O4    4  -0.051732   0.076037   0.257633
+    1SOL     H5    5  -0.142046   0.107124   0.263898
+    1SOL     H6    6   0.001239   0.150068   0.287228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/098/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073866  -0.056194   0.023419
+    0SOL     H3    3  -0.030541  -0.034272  -0.083994
+    1SOL     O4    4   0.202520  -0.215760   0.026840
+    1SOL     H5    5   0.281211  -0.173565  -0.007651
+    1SOL     H6    6   0.227691  -0.245743   0.114189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/099/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018838   0.087236  -0.034603
+    0SOL     H3    3   0.076131  -0.029670  -0.049861
+    1SOL     O4    4  -0.033769   0.251352  -0.040996
+    1SOL     H5    5  -0.122446   0.267733  -0.008896
+    1SOL     H6    6   0.021650   0.309816   0.010704
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/100/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079367   0.019214   0.049940
+    0SOL     H3    3   0.000814  -0.095381  -0.008008
+    1SOL     O4    4   0.004784   0.070249  -0.289198
+    1SOL     H5    5   0.022419  -0.018998  -0.318968
+    1SOL     H6    6   0.001684   0.063542  -0.193764
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/101/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083207  -0.032422   0.034463
+    0SOL     H3    3  -0.001276  -0.029280  -0.091123
+    1SOL     O4    4   0.021942  -0.046636  -0.256007
+    1SOL     H5    5   0.110243  -0.083389  -0.252205
+    1SOL     H6    6  -0.030124  -0.113786  -0.300079
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/102/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001497   0.081989   0.049375
+    0SOL     H3    3   0.025585   0.024985  -0.088789
+    1SOL     O4    4   0.029852   0.267524   0.065517
+    1SOL     H5    5  -0.052841   0.302547   0.032388
+    1SOL     H6    6   0.033692   0.297054   0.156487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/103/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062989   0.054239  -0.047465
+    0SOL     H3    3   0.034725  -0.004731   0.089073
+    1SOL     O4    4   0.033625   0.010157   0.282960
+    1SOL     H5    5   0.108218   0.066454   0.303668
+    1SOL     H6    6   0.054982  -0.073868   0.323532
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/104/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087560  -0.035404   0.015557
+    0SOL     H3    3   0.057259  -0.076705   0.000053
+    1SOL     O4    4   0.305757   0.101735  -0.189991
+    1SOL     H5    5   0.303946   0.079313  -0.096952
+    1SOL     H6    6   0.391275   0.142670  -0.203152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/105/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011134  -0.095043  -0.002289
+    0SOL     H3    3  -0.090430   0.012887   0.028611
+    1SOL     O4    4   0.039999  -0.283865   0.045289
+    1SOL     H5    5   0.120417  -0.334623   0.034388
+    1SOL     H6    6  -0.028482  -0.338964   0.007384
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/106/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022677  -0.092828   0.005573
+    0SOL     H3    3  -0.076358   0.009511   0.056933
+    1SOL     O4    4  -0.236604   0.023613   0.152376
+    1SOL     H5    5  -0.318755   0.065519   0.126736
+    1SOL     H6    6  -0.221927   0.052649   0.242398
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/107/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090746   0.029892   0.005834
+    0SOL     H3    3   0.049977   0.065311   0.048980
+    1SOL     O4    4  -0.168416   0.114937   0.299421
+    1SOL     H5    5  -0.254322   0.089968   0.333466
+    1SOL     H6    6  -0.185326   0.142111   0.209210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/108/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081555  -0.048930   0.010818
+    0SOL     H3    3  -0.061948  -0.064039  -0.034984
+    1SOL     O4    4  -0.065567   0.280651  -0.007945
+    1SOL     H5    5  -0.149783   0.282998   0.037490
+    1SOL     H6    6  -0.053905   0.188778  -0.032143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/109/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084900   0.043972   0.004555
+    0SOL     H3    3   0.059962   0.058769   0.045967
+    1SOL     O4    4   0.140588   0.191212   0.165681
+    1SOL     H5    5   0.218711   0.237794   0.135864
+    1SOL     H6    6   0.157336   0.172997   0.258148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/110/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016734  -0.094246   0.000153
+    0SOL     H3    3  -0.091618   0.008150   0.026495
+    1SOL     O4    4   0.026004  -0.165671  -0.288385
+    1SOL     H5    5   0.089243  -0.222320  -0.244181
+    1SOL     H6    6   0.012135  -0.207071  -0.373567
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/111/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013550  -0.094755   0.000481
+    0SOL     H3    3  -0.082801   0.036243   0.031508
+    1SOL     O4    4   0.224525   0.158092   0.033339
+    1SOL     H5    5   0.148598   0.101544   0.019204
+    1SOL     H6    6   0.199279   0.242158  -0.004842
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/112/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074973   0.057467  -0.015453
+    0SOL     H3    3  -0.003508  -0.009809   0.095151
+    1SOL     O4    4   0.069638   0.002794   0.278855
+    1SOL     H5    5   0.141139   0.066099   0.285366
+    1SOL     H6    6   0.097276  -0.070383   0.334024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/113/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089012   0.030823   0.017001
+    0SOL     H3    3   0.056217   0.071890   0.028876
+    1SOL     O4    4   0.041502  -0.064608  -0.266881
+    1SOL     H5    5  -0.018301   0.000876  -0.302904
+    1SOL     H6    6   0.056461  -0.036388  -0.176647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/114/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079911  -0.026575  -0.045501
+    0SOL     H3    3  -0.009212   0.093134  -0.020087
+    1SOL     O4    4  -0.063119   0.255918  -0.060083
+    1SOL     H5    5  -0.157434   0.270422  -0.052548
+    1SOL     H6    6  -0.023663   0.331564  -0.016685
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/115/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031117  -0.089123   0.015846
+    0SOL     H3    3  -0.092454  -0.002114   0.024699
+    1SOL     O4    4   0.030651  -0.262537   0.075727
+    1SOL     H5    5   0.114118  -0.290986   0.038494
+    1SOL     H6    6  -0.034664  -0.318572   0.033818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/116/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091592  -0.027806  -0.000319
+    0SOL     H3    3  -0.046389  -0.069658  -0.046456
+    1SOL     O4    4  -0.173643  -0.218098  -0.144627
+    1SOL     H5    5  -0.244676  -0.278842  -0.123969
+    1SOL     H6    6  -0.197815  -0.180855  -0.229427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/117/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010868  -0.088125  -0.035751
+    0SOL     H3    3  -0.028906  -0.014074   0.090159
+    1SOL     O4    4  -0.013284  -0.077937   0.275474
+    1SOL     H5    5  -0.011896  -0.172774   0.262573
+    1SOL     H6    6  -0.095391  -0.061211   0.321744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/118/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022930   0.023346  -0.089953
+    0SOL     H3    3  -0.080887  -0.035394   0.036971
+    1SOL     O4    4  -0.249840  -0.080990   0.047878
+    1SOL     H5    5  -0.252039  -0.169192   0.010758
+    1SOL     H6    6  -0.284857  -0.091312   0.136363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/119/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017269   0.094072  -0.003815
+    0SOL     H3    3   0.079058  -0.012039  -0.052605
+    1SOL     O4    4  -0.226520  -0.145958   0.011524
+    1SOL     H5    5  -0.141957  -0.101121   0.010438
+    1SOL     H6    6  -0.207365  -0.232441   0.047801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/120/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079955   0.037817  -0.036596
+    0SOL     H3    3   0.003259   0.033029   0.089782
+    1SOL     O4    4  -0.037367  -0.258015  -0.040360
+    1SOL     H5    5  -0.033246  -0.165970  -0.014418
+    1SOL     H6    6  -0.012241  -0.258065  -0.132724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/121/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009634   0.090778   0.028789
+    0SOL     H3    3   0.020830   0.002106  -0.093402
+    1SOL     O4    4   0.023364   0.078217  -0.259473
+    1SOL     H5    5  -0.000540   0.170636  -0.252423
+    1SOL     H6    6   0.100168   0.077584  -0.316597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/122/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022051  -0.091236   0.018764
+    0SOL     H3    3  -0.078335   0.017004   0.052314
+    1SOL     O4    4  -0.243006   0.006473   0.167403
+    1SOL     H5    5  -0.321034   0.055990   0.142465
+    1SOL     H6    6  -0.233545   0.022295   0.261331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/123/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085535   0.014450   0.040463
+    0SOL     H3    3   0.002747  -0.094092  -0.017362
+    1SOL     O4    4   0.046925  -0.276575   0.017956
+    1SOL     H5    5   0.138976  -0.297448   0.002042
+    1SOL     H6    6  -0.001405  -0.335512  -0.039948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/124/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020096  -0.086318  -0.036163
+    0SOL     H3    3  -0.016879  -0.008760   0.093812
+    1SOL     O4    4  -0.054368  -0.265579  -0.054964
+    1SOL     H5    5   0.021870  -0.321541  -0.040187
+    1SOL     H6    6  -0.066251  -0.265798  -0.149943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/125/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024002   0.075775   0.053333
+    0SOL     H3    3   0.035370   0.019552  -0.086770
+    1SOL     O4    4   0.053747   0.279547   0.047300
+    1SOL     H5    5  -0.029538   0.317942   0.019881
+    1SOL     H6    6   0.067178   0.312347   0.136216
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/126/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082242  -0.038085   0.030791
+    0SOL     H3    3  -0.002446  -0.020527  -0.093461
+    1SOL     O4    4   0.040516  -0.052760  -0.265316
+    1SOL     H5    5   0.129918  -0.086438  -0.271255
+    1SOL     H6    6  -0.009759  -0.107349  -0.325771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/127/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090334   0.021000  -0.023687
+    0SOL     H3    3   0.004477  -0.024353   0.092462
+    1SOL     O4    4   0.274639   0.063362  -0.038238
+    1SOL     H5    5   0.270518   0.154000  -0.007743
+    1SOL     H6    6   0.284209   0.070408  -0.133217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/128/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074735  -0.034024   0.049188
+    0SOL     H3    3  -0.029446   0.000528  -0.091077
+    1SOL     O4    4  -0.272475  -0.067946   0.081253
+    1SOL     H5    5  -0.287919  -0.157275   0.050526
+    1SOL     H6    6  -0.291139  -0.071276   0.175077
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/129/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076050   0.058081  -0.002304
+    0SOL     H3    3   0.023678  -0.068056   0.063009
+    1SOL     O4    4   0.146471  -0.213145   0.133235
+    1SOL     H5    5   0.130214  -0.242277   0.222953
+    1SOL     H6    6   0.117130  -0.286082   0.078631
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/130/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002613  -0.091086  -0.029307
+    0SOL     H3    3  -0.008317  -0.005646   0.095191
+    1SOL     O4    4  -0.328889   0.028051   0.027272
+    1SOL     H5    5  -0.421592   0.051876   0.028297
+    1SOL     H6    6  -0.286636   0.093657   0.082705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/131/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091270  -0.028499   0.004461
+    0SOL     H3    3  -0.044859  -0.070392  -0.046851
+    1SOL     O4    4  -0.331692  -0.027039   0.049307
+    1SOL     H5    5  -0.311673   0.062372   0.077009
+    1SOL     H6    6  -0.324090  -0.024878  -0.046086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/132/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088474   0.036066   0.005825
+    0SOL     H3    3   0.052711   0.056486   0.056509
+    1SOL     O4    4   0.037976  -0.093937  -0.285743
+    1SOL     H5    5  -0.035934  -0.045589  -0.322649
+    1SOL     H6    6   0.048985  -0.057561  -0.197892
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081306   0.033906   0.037443
+    0SOL     H3    3   0.067768   0.059668   0.031774
+    1SOL     O4    4   0.270678  -0.090926   0.238824
+    1SOL     H5    5   0.287074  -0.185173   0.242141
+    1SOL     H6    6   0.182676  -0.080587   0.275033
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/134/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083767  -0.045966   0.005702
+    0SOL     H3    3  -0.024584  -0.006276  -0.092296
+    1SOL     O4    4   0.042934   0.270671   0.039960
+    1SOL     H5    5   0.030795   0.180825   0.009258
+    1SOL     H6    6   0.019682   0.267666   0.132765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/135/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076281  -0.048867   0.030912
+    0SOL     H3    3  -0.003134  -0.017392  -0.094075
+    1SOL     O4    4  -0.227497   0.011700   0.145703
+    1SOL     H5    5  -0.264363   0.098214   0.127857
+    1SOL     H6    6  -0.145293   0.010067   0.096692
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/136/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006529   0.095491  -0.001040
+    0SOL     H3    3   0.086393  -0.018550  -0.036803
+    1SOL     O4    4  -0.018834   0.276339  -0.038045
+    1SOL     H5    5  -0.106164   0.308979  -0.016354
+    1SOL     H6    6   0.040963   0.336262   0.006629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/137/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016320   0.092938   0.016080
+    0SOL     H3    3   0.019283  -0.012016  -0.092984
+    1SOL     O4    4   0.073290   0.087012  -0.258702
+    1SOL     H5    5   0.165428   0.093835  -0.283727
+    1SOL     H6    6   0.040539   0.176853  -0.262994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/138/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016017   0.086925  -0.036739
+    0SOL     H3    3  -0.080474  -0.048724  -0.017672
+    1SOL     O4    4  -0.215346  -0.166975  -0.035446
+    1SOL     H5    5  -0.181954  -0.256667  -0.033764
+    1SOL     H6    6  -0.226153  -0.147130  -0.128460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/139/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077054   0.049108  -0.028521
+    0SOL     H3    3   0.035552  -0.079557   0.039612
+    1SOL     O4    4   0.176232   0.109260   0.244831
+    1SOL     H5    5   0.166585   0.198607   0.277792
+    1SOL     H6    6   0.205258   0.120094   0.154263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/140/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082613   0.044057   0.019908
+    0SOL     H3    3   0.066353   0.051579   0.045817
+    1SOL     O4    4   0.146129   0.211595   0.148992
+    1SOL     H5    5   0.232618   0.234190   0.114766
+    1SOL     H6    6   0.157851   0.208904   0.243954
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/141/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086325   0.037341  -0.017773
+    0SOL     H3    3   0.003380  -0.025440   0.092215
+    1SOL     O4    4   0.253656   0.093315  -0.002216
+    1SOL     H5    5   0.266580   0.181752   0.032052
+    1SOL     H6    6   0.275914   0.100066  -0.095067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/142/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030291   0.089170  -0.017132
+    0SOL     H3    3   0.082592  -0.006906  -0.047887
+    1SOL     O4    4  -0.041282  -0.085994   0.268123
+    1SOL     H5    5  -0.020930   0.005501   0.287536
+    1SOL     H6    6  -0.004259  -0.100875   0.181116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/143/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071632  -0.063383   0.003706
+    0SOL     H3    3  -0.036053   0.074144  -0.048634
+    1SOL     O4    4  -0.092268   0.216362  -0.138634
+    1SOL     H5    5  -0.099450   0.311115  -0.127119
+    1SOL     H6    6  -0.087484   0.204000  -0.233431
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/144/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091300   0.028749  -0.000318
+    0SOL     H3    3   0.047044   0.069996   0.045274
+    1SOL     O4    4   0.022641  -0.278168   0.023959
+    1SOL     H5    5  -0.005974  -0.186911   0.027928
+    1SOL     H6    6   0.105960  -0.275169  -0.023065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/145/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093679  -0.015110  -0.012576
+    0SOL     H3    3  -0.042330  -0.056905  -0.064283
+    1SOL     O4    4  -0.145218  -0.191247  -0.150129
+    1SOL     H5    5  -0.218666  -0.226765  -0.100067
+    1SOL     H6    6  -0.182779  -0.168948  -0.235301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/146/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059011   0.058532  -0.047476
+    0SOL     H3    3   0.003122   0.035846   0.088700
+    1SOL     O4    4  -0.035686   0.063757   0.272132
+    1SOL     H5    5  -0.130598   0.072255   0.263078
+    1SOL     H6    6  -0.007114   0.148615   0.305971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/147/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094572   0.013988  -0.004782
+    0SOL     H3    3   0.033890   0.079181   0.041762
+    1SOL     O4    4  -0.189038   0.080531   0.321901
+    1SOL     H5    5  -0.269980   0.039103   0.351810
+    1SOL     H6    6  -0.188213   0.165784   0.365415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/148/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017073   0.076833   0.054475
+    0SOL     H3    3   0.013331   0.030718  -0.089672
+    1SOL     O4    4  -0.265974  -0.124412   0.016611
+    1SOL     H5    5  -0.192715  -0.064576   0.001945
+    1SOL     H6    6  -0.251842  -0.158454   0.104949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/149/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094846   0.007065   0.010804
+    0SOL     H3    3   0.034907   0.078263   0.042646
+    1SOL     O4    4   0.321636  -0.010552  -0.053047
+    1SOL     H5    5   0.314016  -0.102990  -0.076699
+    1SOL     H6    6   0.292834  -0.006663   0.038154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/150/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015836  -0.088323  -0.033326
+    0SOL     H3    3   0.001281  -0.010132   0.095174
+    1SOL     O4    4  -0.278487  -0.037794  -0.186698
+    1SOL     H5    5  -0.327588   0.027568  -0.236490
+    1SOL     H6    6  -0.287867  -0.010468  -0.095442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/151/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069009  -0.015060  -0.064601
+    0SOL     H3    3  -0.017968   0.093856  -0.005515
+    1SOL     O4    4  -0.072790   0.258859  -0.012382
+    1SOL     H5    5  -0.162591   0.291142  -0.019871
+    1SOL     H6    6  -0.020484   0.337174   0.004738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/152/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067420  -0.063995   0.022837
+    0SOL     H3    3  -0.012624  -0.011033  -0.094240
+    1SOL     O4    4  -0.155784  -0.313343  -0.032933
+    1SOL     H5    5  -0.226250  -0.375520  -0.051119
+    1SOL     H6    6  -0.178847  -0.235451  -0.083562
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/153/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003026   0.075160   0.059196
+    0SOL     H3    3   0.034285   0.033357  -0.082911
+    1SOL     O4    4   0.039393   0.080216  -0.245904
+    1SOL     H5    5   0.015526   0.172811  -0.250253
+    1SOL     H6    6   0.121595   0.074308  -0.294589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/154/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005163  -0.079975  -0.052341
+    0SOL     H3    3  -0.026075  -0.029958   0.087091
+    1SOL     O4    4   0.257278   0.094960  -0.041343
+    1SOL     H5    5   0.172171   0.061138  -0.013502
+    1SOL     H6    6   0.249630   0.103931  -0.136334
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/155/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094785  -0.010643   0.008055
+    0SOL     H3    3  -0.026843  -0.069071  -0.060589
+    1SOL     O4    4  -0.060642   0.069304   0.248268
+    1SOL     H5    5   0.002892   0.003287   0.275971
+    1SOL     H6    6  -0.067688   0.057565   0.153532
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/156/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087930  -0.037623   0.003900
+    0SOL     H3    3  -0.049769  -0.060913  -0.054543
+    1SOL     O4    4  -0.054077   0.067544   0.264545
+    1SOL     H5    5   0.020349   0.033261   0.314020
+    1SOL     H6    6  -0.046716   0.026317   0.178472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/157/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010682   0.093034  -0.019820
+    0SOL     H3    3   0.016243  -0.044299  -0.083283
+    1SOL     O4    4   0.335136   0.019967  -0.091098
+    1SOL     H5    5   0.426360  -0.006954  -0.080336
+    1SOL     H6    6   0.296338  -0.048140  -0.146040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/158/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075495  -0.045587   0.037210
+    0SOL     H3    3   0.020153   0.007641  -0.093262
+    1SOL     O4    4  -0.246042   0.015496   0.140657
+    1SOL     H5    5  -0.233023   0.108755   0.157848
+    1SOL     H6    6  -0.166497  -0.011815   0.094950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/159/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065531  -0.069399   0.007203
+    0SOL     H3    3  -0.048612   0.075582  -0.032963
+    1SOL     O4    4   0.122807   0.287145   0.041573
+    1SOL     H5    5   0.205269   0.245688   0.066943
+    1SOL     H6    6   0.106557   0.255790  -0.047393
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/160/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034269   0.085685  -0.025416
+    0SOL     H3    3   0.070416  -0.017191  -0.062517
+    1SOL     O4    4   0.248063   0.180394   0.122896
+    1SOL     H5    5   0.267526   0.090043   0.147802
+    1SOL     H6    6   0.169322   0.202559   0.172605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/161/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006971  -0.087425  -0.038349
+    0SOL     H3    3  -0.019785  -0.012839   0.092769
+    1SOL     O4    4   0.251734   0.126076  -0.039633
+    1SOL     H5    5   0.175554   0.086270   0.002492
+    1SOL     H6    6   0.222672   0.144985  -0.128852
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/162/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088842   0.016043   0.031812
+    0SOL     H3    3   0.052444   0.069948   0.038976
+    1SOL     O4    4   0.042124  -0.081618  -0.259631
+    1SOL     H5    5  -0.035252  -0.037178  -0.294277
+    1SOL     H6    6   0.047887  -0.052364  -0.168674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/163/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082511  -0.033154   0.035427
+    0SOL     H3    3  -0.019657   0.020543  -0.091400
+    1SOL     O4    4  -0.242384  -0.115985   0.027640
+    1SOL     H5    5  -0.247097  -0.206152  -0.004141
+    1SOL     H6    6  -0.262317  -0.122388   0.121042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/164/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007336   0.012208  -0.094654
+    0SOL     H3    3  -0.088086  -0.025029   0.027868
+    1SOL     O4    4   0.085736   0.205430   0.150226
+    1SOL     H5    5   0.175200   0.176389   0.132473
+    1SOL     H6    6   0.030378   0.140639   0.106637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/165/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068461   0.063944  -0.019664
+    0SOL     H3    3   0.047574  -0.078607   0.026833
+    1SOL     O4    4   0.111318  -0.235544   0.118531
+    1SOL     H5    5   0.074987  -0.317764   0.085632
+    1SOL     H6    6   0.081738  -0.230914   0.209449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/166/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081880  -0.040311   0.028862
+    0SOL     H3    3  -0.003719  -0.017848  -0.093968
+    1SOL     O4    4   0.055779   0.190925   0.321746
+    1SOL     H5    5   0.068525   0.098705   0.344004
+    1SOL     H6    6  -0.027089   0.214454   0.363479
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/167/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082963  -0.044033   0.018453
+    0SOL     H3    3  -0.025283   0.082157  -0.042112
+    1SOL     O4    4   0.086224   0.009231  -0.315159
+    1SOL     H5    5   0.020502  -0.037041  -0.263182
+    1SOL     H6    6   0.057692  -0.002398  -0.405785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/168/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087583  -0.028117   0.026475
+    0SOL     H3    3   0.000894  -0.005492  -0.095558
+    1SOL     O4    4   0.044851  -0.042779  -0.263695
+    1SOL     H5    5   0.137723  -0.063291  -0.252917
+    1SOL     H6    6   0.011274  -0.112449  -0.320095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/169/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082133  -0.030118   0.038852
+    0SOL     H3    3   0.009938  -0.017374  -0.093604
+    1SOL     O4    4   0.040953  -0.067446  -0.258804
+    1SOL     H5    5   0.131410  -0.097868  -0.266178
+    1SOL     H6    6  -0.006589  -0.117165  -0.325362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/170/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004738   0.094763  -0.012640
+    0SOL     H3    3   0.077223  -0.027009  -0.049694
+    1SOL     O4    4  -0.048078  -0.091990   0.266911
+    1SOL     H5    5  -0.018233  -0.010162   0.306608
+    1SOL     H6    6  -0.022431  -0.084815   0.174971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/171/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089412   0.027559   0.020207
+    0SOL     H3    3   0.020441  -0.065773   0.066471
+    1SOL     O4    4  -0.243513   0.097234   0.002273
+    1SOL     H5    5  -0.288340   0.020027  -0.032253
+    1SOL     H6    6  -0.281936   0.170693  -0.045578
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/172/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080194  -0.033354   0.040233
+    0SOL     H3    3  -0.018332  -0.000376  -0.093947
+    1SOL     O4    4  -0.239748  -0.100803  -0.004112
+    1SOL     H5    5  -0.249567  -0.176033  -0.062476
+    1SOL     H6    6  -0.254556  -0.136328   0.083529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/173/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074771  -0.052373   0.028786
+    0SOL     H3    3  -0.011875  -0.023652  -0.091989
+    1SOL     O4    4  -0.178566  -0.276602  -0.032816
+    1SOL     H5    5  -0.260016  -0.326868  -0.034042
+    1SOL     H6    6  -0.197542  -0.198871  -0.085353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/174/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022200  -0.090845  -0.020412
+    0SOL     H3    3  -0.043780   0.017257   0.083353
+    1SOL     O4    4  -0.015772  -0.082083  -0.360710
+    1SOL     H5    5  -0.000621  -0.176589  -0.361834
+    1SOL     H6    6  -0.077164  -0.068476  -0.288542
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/175/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012522  -0.091288  -0.025922
+    0SOL     H3    3  -0.031957   0.003951   0.090141
+    1SOL     O4    4   0.240703   0.104882  -0.045056
+    1SOL     H5    5   0.166943   0.065509   0.001543
+    1SOL     H6    6   0.204842   0.129487  -0.130326
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/176/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016535   0.092533   0.018070
+    0SOL     H3    3  -0.014827  -0.003723  -0.094491
+    1SOL     O4    4   0.062049   0.278317   0.043017
+    1SOL     H5    5  -0.015778   0.330279   0.022890
+    1SOL     H6    6   0.058865   0.266091   0.137900
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/177/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094800   0.012924   0.002890
+    0SOL     H3    3   0.036554   0.087557   0.012646
+    1SOL     O4    4   0.042305  -0.083496   0.346682
+    1SOL     H5    5  -0.044553  -0.052634   0.320883
+    1SOL     H6    6   0.054212  -0.050094   0.435592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/178/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012269  -0.094503   0.008999
+    0SOL     H3    3  -0.084976   0.017141   0.040591
+    1SOL     O4    4   0.052947  -0.251035   0.041147
+    1SOL     H5    5   0.145272  -0.274165   0.030976
+    1SOL     H6    6   0.005674  -0.332080   0.022193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/179/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041497  -0.060692   0.061293
+    0SOL     H3    3   0.026509   0.086773   0.030496
+    1SOL     O4    4   0.057763   0.068122  -0.262227
+    1SOL     H5    5   0.151217   0.059279  -0.280948
+    1SOL     H6    6   0.049743   0.046473  -0.169333
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/180/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002813   0.084442   0.044989
+    0SOL     H3    3  -0.003134   0.022262  -0.093042
+    1SOL     O4    4   0.030649   0.278540   0.064583
+    1SOL     H5    5  -0.029359   0.350144   0.043745
+    1SOL     H6    6   0.041124   0.282898   0.159629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/181/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025080  -0.089248  -0.023837
+    0SOL     H3    3  -0.010700   0.003356   0.095061
+    1SOL     O4    4  -0.277080  -0.048186  -0.226568
+    1SOL     H5    5  -0.341235   0.009184  -0.268463
+    1SOL     H6    6  -0.281766  -0.025622  -0.133664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/182/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.041421  -0.077703  -0.037534
+    0SOL     H3    3   0.091869  -0.024619   0.010784
+    1SOL     O4    4  -0.067144   0.286797  -0.034992
+    1SOL     H5    5  -0.055439   0.192939  -0.020296
+    1SOL     H6    6  -0.145464   0.309363   0.015199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/183/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006385   0.007869   0.095182
+    0SOL     H3    3   0.091843  -0.021567  -0.016190
+    1SOL     O4    4  -0.012168   0.059266   0.262196
+    1SOL     H5    5  -0.094548   0.062303   0.310844
+    1SOL     H6    6   0.029760  -0.021805   0.291036
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/184/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002519  -0.024202   0.092576
+    0SOL     H3    3  -0.005723  -0.083480  -0.046482
+    1SOL     O4    4   0.250647   0.113849  -0.044666
+    1SOL     H5    5   0.174659   0.076118  -0.000343
+    1SOL     H6    6   0.216718   0.144115  -0.128898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/185/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084724   0.042914  -0.011940
+    0SOL     H3    3   0.022533   0.016432   0.091567
+    1SOL     O4    4   0.222709  -0.024447  -0.180223
+    1SOL     H5    5   0.254600  -0.111983  -0.158251
+    1SOL     H6    6   0.137125  -0.018721  -0.137740
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/186/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016923   0.093922   0.007381
+    0SOL     H3    3   0.093928  -0.006169  -0.017371
+    1SOL     O4    4  -0.209206  -0.164668  -0.026125
+    1SOL     H5    5  -0.129449  -0.111962  -0.021311
+    1SOL     H6    6  -0.195206  -0.235207   0.037046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/187/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021333  -0.090300  -0.023517
+    0SOL     H3    3  -0.037701   0.011634   0.087210
+    1SOL     O4    4  -0.059393  -0.079048   0.276947
+    1SOL     H5    5  -0.021803  -0.166024   0.263367
+    1SOL     H6    6  -0.144516  -0.095744   0.317415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/188/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001388   0.092622   0.024116
+    0SOL     H3    3  -0.016943  -0.000019  -0.094209
+    1SOL     O4    4   0.297684  -0.030411  -0.072573
+    1SOL     H5    5   0.378261  -0.081517  -0.080180
+    1SOL     H6    6   0.231095  -0.084044  -0.115605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/189/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078678   0.045227  -0.030440
+    0SOL     H3    3  -0.001811   0.010110   0.095167
+    1SOL     O4    4   0.100667   0.247357  -0.204158
+    1SOL     H5    5   0.180321   0.261463  -0.255330
+    1SOL     H6    6   0.132081   0.222684  -0.117171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/190/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082227  -0.046610   0.015115
+    0SOL     H3    3  -0.060794  -0.067643  -0.029847
+    1SOL     O4    4  -0.033752   0.074284   0.265092
+    1SOL     H5    5   0.033278   0.019297   0.305659
+    1SOL     H6    6  -0.037209   0.044728   0.174115
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/191/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074765  -0.027052   0.053298
+    0SOL     H3    3   0.022498  -0.027822  -0.088781
+    1SOL     O4    4   0.001925   0.159848  -0.341873
+    1SOL     H5    5   0.017906   0.070327  -0.311993
+    1SOL     H6    6  -0.069487   0.191270  -0.286416
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/192/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013429   0.094773   0.000070
+    0SOL     H3    3   0.082300  -0.012542  -0.047241
+    1SOL     O4    4   0.221669   0.006685  -0.179078
+    1SOL     H5    5   0.298174  -0.026041  -0.131768
+    1SOL     H6    6   0.232443  -0.026691  -0.268142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/193/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071850  -0.042958   0.046416
+    0SOL     H3    3   0.006701   0.092061   0.025341
+    1SOL     O4    4   0.026392   0.065541   0.343068
+    1SOL     H5    5   0.029695   0.029020   0.431485
+    1SOL     H6    6  -0.052912   0.028191   0.304622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/194/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077392  -0.055091   0.011743
+    0SOL     H3    3  -0.035115   0.087452  -0.016776
+    1SOL     O4    4   0.108620   0.055042  -0.322021
+    1SOL     H5    5   0.043091   0.012579  -0.266656
+    1SOL     H6    6   0.076288   0.042677  -0.411263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/195/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018600  -0.012455   0.093066
+    0SOL     H3    3  -0.011577  -0.086816  -0.038616
+    1SOL     O4    4  -0.038054  -0.087249   0.254398
+    1SOL     H5    5  -0.050281  -0.181430   0.242451
+    1SOL     H6    6  -0.126850  -0.052256   0.261693
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/196/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064244   0.066235  -0.025456
+    0SOL     H3    3   0.012764   0.013772   0.093860
+    1SOL     O4    4   0.234115  -0.017806  -0.173598
+    1SOL     H5    5   0.238515  -0.113419  -0.174634
+    1SOL     H6    6   0.155484   0.002051  -0.122754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/197/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087540   0.001190   0.038699
+    0SOL     H3    3   0.028364  -0.091105   0.007603
+    1SOL     O4    4  -0.277901   0.095818  -0.191595
+    1SOL     H5    5  -0.373231   0.104385  -0.190480
+    1SOL     H6    6  -0.246204   0.174656  -0.147526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/198/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065811   0.053746  -0.044075
+    0SOL     H3    3  -0.006352   0.025060   0.092163
+    1SOL     O4    4  -0.213596   0.161077  -0.044903
+    1SOL     H5    5  -0.290884   0.120196  -0.005946
+    1SOL     H6    6  -0.236030   0.171574  -0.137363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/199/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082849   0.046016  -0.013450
+    0SOL     H3    3   0.009162  -0.041322   0.085854
+    1SOL     O4    4  -0.228199   0.187952  -0.024803
+    1SOL     H5    5  -0.155119   0.159458   0.030058
+    1SOL     H6    6  -0.201697   0.165035  -0.113880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/200/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039707  -0.076243   0.042102
+    0SOL     H3    3   0.061555   0.071385   0.016658
+    1SOL     O4    4  -0.057045   0.023194  -0.269184
+    1SOL     H5    5   0.021442   0.072782  -0.292487
+    1SOL     H6    6  -0.041629  -0.005187  -0.179078
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/201/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006086  -0.088080  -0.036976
+    0SOL     H3    3  -0.025009  -0.013988   0.091330
+    1SOL     O4    4   0.235511   0.114817  -0.065061
+    1SOL     H5    5   0.155211   0.069332  -0.039657
+    1SOL     H6    6   0.236577   0.110047  -0.160656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/202/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081607   0.039066  -0.031249
+    0SOL     H3    3   0.002016   0.020230   0.093536
+    1SOL     O4    4  -0.049164   0.056871   0.266864
+    1SOL     H5    5  -0.010409   0.137696   0.300446
+    1SOL     H6    6  -0.143544   0.072610   0.269498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/203/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025096   0.089294  -0.023645
+    0SOL     H3    3   0.082283  -0.014932  -0.046571
+    1SOL     O4    4   0.245029  -0.029970  -0.166371
+    1SOL     H5    5   0.251121  -0.068257  -0.253889
+    1SOL     H6    6   0.324508  -0.059248  -0.121782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/204/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060173   0.061016   0.042645
+    0SOL     H3    3   0.016807  -0.084030   0.042647
+    1SOL     O4    4   0.212626   0.144450   0.103248
+    1SOL     H5    5   0.281119   0.107030   0.047833
+    1SOL     H6    6   0.217336   0.238648   0.086914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/205/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071684  -0.049527   0.039632
+    0SOL     H3    3   0.009409  -0.015243  -0.094029
+    1SOL     O4    4   0.037996   0.258052   0.084992
+    1SOL     H5    5   0.057842   0.169950   0.053267
+    1SOL     H6    6   0.024671   0.247216   0.179158
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/206/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005713   0.090307  -0.031214
+    0SOL     H3    3   0.085015  -0.030884  -0.031319
+    1SOL     O4    4  -0.085761   0.255835  -0.052537
+    1SOL     H5    5  -0.174044   0.287160  -0.032858
+    1SOL     H6    6  -0.028021   0.325212  -0.020673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/207/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005750  -0.093100   0.021485
+    0SOL     H3    3  -0.069048   0.033598   0.057148
+    1SOL     O4    4  -0.259935  -0.176629  -0.172611
+    1SOL     H5    5  -0.269835  -0.081425  -0.173265
+    1SOL     H6    6  -0.182966  -0.193128  -0.227071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/208/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014676   0.088676   0.032917
+    0SOL     H3    3   0.029090   0.003112  -0.091139
+    1SOL     O4    4   0.037551   0.264935   0.054791
+    1SOL     H5    5  -0.033906   0.309357   0.009151
+    1SOL     H6    6   0.019818   0.280079   0.147627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/209/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002823   0.089104   0.034854
+    0SOL     H3    3   0.018732   0.011266  -0.093191
+    1SOL     O4    4   0.015973   0.276244   0.065471
+    1SOL     H5    5  -0.067042   0.313410   0.035645
+    1SOL     H6    6   0.021421   0.300734   0.157844
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/210/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081220   0.006604   0.050219
+    0SOL     H3    3   0.060401   0.059752   0.044088
+    1SOL     O4    4  -0.237572  -0.019995   0.147926
+    1SOL     H5    5  -0.309753   0.029377   0.109010
+    1SOL     H6    6  -0.241749   0.000923   0.241239
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/211/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060746  -0.062463   0.039632
+    0SOL     H3    3  -0.022651  -0.038862  -0.084492
+    1SOL     O4    4   0.054866   0.286501   0.035951
+    1SOL     H5    5   0.034281   0.197961   0.005965
+    1SOL     H6    6   0.031489   0.286445   0.128773
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/212/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061794  -0.072735  -0.007311
+    0SOL     H3    3  -0.026554   0.061055  -0.068771
+    1SOL     O4    4  -0.212170  -0.227831  -0.024294
+    1SOL     H5    5  -0.211229  -0.323403  -0.019057
+    1SOL     H6    6  -0.291296  -0.201985   0.022965
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/213/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091554  -0.027637   0.004055
+    0SOL     H3    3  -0.043902  -0.069509  -0.049025
+    1SOL     O4    4  -0.008411   0.109465   0.280517
+    1SOL     H5    5   0.065634   0.055966   0.309109
+    1SOL     H6    6  -0.027362   0.078787   0.191849
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/214/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078369   0.022696  -0.050055
+    0SOL     H3    3   0.030127  -0.005190   0.090707
+    1SOL     O4    4  -0.145750  -0.203910  -0.114507
+    1SOL     H5    5  -0.223457  -0.154151  -0.139966
+    1SOL     H6    6  -0.082034  -0.137331  -0.088628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/215/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015967  -0.092494  -0.018766
+    0SOL     H3    3  -0.027261   0.001516   0.091743
+    1SOL     O4    4   0.265940   0.093864  -0.001486
+    1SOL     H5    5   0.248753   0.118288  -0.092428
+    1SOL     H6    6   0.186013   0.049551   0.026979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/216/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089501   0.031130   0.013517
+    0SOL     H3    3   0.055017   0.066217   0.041842
+    1SOL     O4    4   0.083819   0.200652   0.159384
+    1SOL     H5    5   0.165341   0.236012   0.123799
+    1SOL     H6    6   0.106831   0.171376   0.247564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/217/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047349  -0.058416   0.059228
+    0SOL     H3    3   0.010192  -0.039985  -0.086369
+    1SOL     O4    4   0.026894   0.270927   0.038795
+    1SOL     H5    5   0.006477   0.185169   0.001497
+    1SOL     H6    6  -0.006994   0.266887   0.128224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/218/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071494  -0.063645   0.000480
+    0SOL     H3    3  -0.037334   0.077719  -0.041573
+    1SOL     O4    4   0.165189   0.277036   0.088873
+    1SOL     H5    5   0.234443   0.222774   0.126580
+    1SOL     H6    6   0.175884   0.267269  -0.005745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/219/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006476   0.084706   0.044106
+    0SOL     H3    3   0.018526   0.019317  -0.091902
+    1SOL     O4    4   0.070086   0.269091   0.057151
+    1SOL     H5    5   0.008862   0.328222   0.013362
+    1SOL     H6    6   0.052505   0.281144   0.150468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/220/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004174  -0.084645  -0.044498
+    0SOL     H3    3  -0.019735  -0.019992   0.091505
+    1SOL     O4    4  -0.052212  -0.030117   0.259463
+    1SOL     H5    5  -0.140832  -0.007349   0.287577
+    1SOL     H6    6  -0.049673  -0.125731   0.263192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/221/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063647   0.049164  -0.051907
+    0SOL     H3    3   0.032997   0.005261   0.089699
+    1SOL     O4    4  -0.187942  -0.181848  -0.095255
+    1SOL     H5    5  -0.271091  -0.140278  -0.118072
+    1SOL     H6    6  -0.131238  -0.109313  -0.069070
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/222/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090338  -0.016953   0.026719
+    0SOL     H3    3  -0.006145   0.021599  -0.093049
+    1SOL     O4    4  -0.267597  -0.088925   0.031959
+    1SOL     H5    5  -0.270994  -0.164770  -0.026337
+    1SOL     H6    6  -0.268113  -0.126334   0.120065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/223/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074133  -0.041587   0.044013
+    0SOL     H3    3   0.007540  -0.027899  -0.091253
+    1SOL     O4    4  -0.145763  -0.271016  -0.079664
+    1SOL     H5    5  -0.222592  -0.327877  -0.074532
+    1SOL     H6    6  -0.178448  -0.189981  -0.118745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/224/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069073  -0.051523   0.041673
+    0SOL     H3    3   0.002738  -0.026180  -0.092029
+    1SOL     O4    4   0.194837  -0.180367   0.079764
+    1SOL     H5    5   0.266927  -0.128682   0.043791
+    1SOL     H6    6   0.213175  -0.185086   0.173592
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/225/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003850   0.090978   0.029505
+    0SOL     H3    3  -0.021252   0.004090  -0.093241
+    1SOL     O4    4   0.004454   0.266517   0.068161
+    1SOL     H5    5  -0.083670   0.302796   0.059200
+    1SOL     H6    6   0.031054   0.289784   0.157118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/226/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071446   0.063087  -0.008819
+    0SOL     H3    3   0.043051  -0.081603   0.025493
+    1SOL     O4    4  -0.054049  -0.027633  -0.275617
+    1SOL     H5    5   0.009780   0.037789  -0.304045
+    1SOL     H6    6  -0.037477  -0.038209  -0.181938
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/227/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022006   0.092319  -0.012458
+    0SOL     H3    3   0.084380  -0.010695  -0.043909
+    1SOL     O4    4  -0.033543  -0.029963   0.263024
+    1SOL     H5    5  -0.034995   0.062494   0.287761
+    1SOL     H6    6  -0.017581  -0.029307   0.168647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/228/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066787   0.063732   0.025298
+    0SOL     H3    3   0.033444  -0.083789   0.031988
+    1SOL     O4    4   0.199668   0.174885   0.058451
+    1SOL     H5    5   0.287422   0.153844   0.026531
+    1SOL     H6    6   0.186560   0.266494   0.033993
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/229/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093652   0.015931   0.011736
+    0SOL     H3    3   0.042072   0.053616   0.067213
+    1SOL     O4    4  -0.208537   0.047227  -0.298445
+    1SOL     H5    5  -0.275794  -0.012676  -0.266034
+    1SOL     H6    6  -0.239935   0.074117  -0.384777
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/230/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082087   0.047325  -0.013579
+    0SOL     H3    3  -0.001565  -0.018905   0.093822
+    1SOL     O4    4  -0.147389  -0.154627  -0.178469
+    1SOL     H5    5  -0.237551  -0.137784  -0.151093
+    1SOL     H6    6  -0.094310  -0.098118  -0.122329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/231/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069591   0.048565  -0.044282
+    0SOL     H3    3  -0.014610   0.016670   0.093118
+    1SOL     O4    4  -0.034243  -0.255998  -0.064701
+    1SOL     H5    5  -0.012585  -0.167752  -0.034603
+    1SOL     H6    6  -0.020872  -0.253001  -0.159435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/232/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083240  -0.028510  -0.037690
+    0SOL     H3    3  -0.066399  -0.048465  -0.049037
+    1SOL     O4    4  -0.001094   0.092363   0.252855
+    1SOL     H5    5   0.074316   0.046291   0.289638
+    1SOL     H6    6  -0.010228   0.056722   0.164488
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/233/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075945   0.057863  -0.006817
+    0SOL     H3    3   0.034520  -0.080445   0.038720
+    1SOL     O4    4   0.137102  -0.188328   0.150940
+    1SOL     H5    5   0.132622  -0.269245   0.100002
+    1SOL     H6    6   0.117101  -0.215266   0.240588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/234/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026577   0.091182   0.011911
+    0SOL     H3    3   0.089254   0.005286  -0.034179
+    1SOL     O4    4  -0.026778  -0.060728   0.247155
+    1SOL     H5    5  -0.036636   0.032802   0.264965
+    1SOL     H6    6  -0.004312  -0.065224   0.154217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/235/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035656  -0.055884   0.069050
+    0SOL     H3    3   0.057596   0.076444  -0.001141
+    1SOL     O4    4  -0.244607   0.085248   0.026330
+    1SOL     H5    5  -0.282589   0.083723  -0.061518
+    1SOL     H6    6  -0.153015   0.060682   0.013305
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/236/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069715   0.048111  -0.044581
+    0SOL     H3    3  -0.016074   0.015249   0.093120
+    1SOL     O4    4  -0.087216   0.045633   0.268977
+    1SOL     H5    5  -0.176998   0.078800   0.270128
+    1SOL     H6    6  -0.035319   0.115471   0.308874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/237/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022947  -0.082389  -0.042986
+    0SOL     H3    3  -0.025827  -0.012565   0.091310
+    1SOL     O4    4  -0.053955  -0.281386  -0.031956
+    1SOL     H5    5   0.022140  -0.338905  -0.023990
+    1SOL     H6    6  -0.071767  -0.278030  -0.125944
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/238/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024245  -0.005158  -0.092455
+    0SOL     H3    3  -0.093227  -0.021646   0.001607
+    1SOL     O4    4   0.363400   0.007591  -0.062879
+    1SOL     H5    5   0.456954  -0.011956  -0.068158
+    1SOL     H6    6   0.320650  -0.069312  -0.100571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/239/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023908   0.090916  -0.018029
+    0SOL     H3    3   0.076479  -0.016113  -0.055259
+    1SOL     O4    4   0.207824  -0.010266  -0.185167
+    1SOL     H5    5   0.285776  -0.065776  -0.183052
+    1SOL     H6    6   0.190020   0.002563  -0.278338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/240/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004355   0.095072   0.010236
+    0SOL     H3    3   0.083679  -0.015617  -0.043775
+    1SOL     O4    4   0.010592  -0.058552   0.292047
+    1SOL     H5    5   0.017840   0.032753   0.319852
+    1SOL     H6    6   0.028586  -0.056516   0.198055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/241/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050875   0.078476   0.020387
+    0SOL     H3    3   0.030934  -0.065564   0.062504
+    1SOL     O4    4  -0.035091   0.053260  -0.260186
+    1SOL     H5    5  -0.020827   0.044227  -0.165967
+    1SOL     H6    6   0.048776   0.084342  -0.294284
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/242/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075449   0.040632  -0.042648
+    0SOL     H3    3  -0.020527   0.003415   0.093431
+    1SOL     O4    4  -0.044690   0.034587   0.259305
+    1SOL     H5    5  -0.134880   0.060340   0.278406
+    1SOL     H6    6   0.008703   0.104786   0.296501
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/243/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056373  -0.076150  -0.013621
+    0SOL     H3    3  -0.039404   0.068905  -0.053495
+    1SOL     O4    4  -0.240043  -0.117297  -0.047999
+    1SOL     H5    5  -0.232396  -0.211046  -0.030253
+    1SOL     H6    6  -0.266640  -0.079128   0.035655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/244/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078652   0.054475   0.002942
+    0SOL     H3    3   0.070455   0.057995   0.028897
+    1SOL     O4    4   0.198069   0.204862  -0.162425
+    1SOL     H5    5   0.254315   0.130662  -0.140217
+    1SOL     H6    6   0.253119   0.281843  -0.148086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/245/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021715   0.090572   0.022081
+    0SOL     H3    3   0.001432  -0.002380  -0.095680
+    1SOL     O4    4  -0.262551  -0.071948  -0.000068
+    1SOL     H5    5  -0.181164  -0.024824  -0.017891
+    1SOL     H6    6  -0.264491  -0.081321   0.095173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/246/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016155  -0.055757   0.076109
+    0SOL     H3    3  -0.013098   0.087446   0.036660
+    1SOL     O4    4   0.011443   0.063410  -0.260244
+    1SOL     H5    5   0.089364   0.031696  -0.305903
+    1SOL     H6    6   0.018214   0.026006  -0.172395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/247/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028040   0.007450   0.091217
+    0SOL     H3    3   0.095525   0.004789   0.003790
+    1SOL     O4    4  -0.103742   0.220846  -0.147353
+    1SOL     H5    5  -0.073599   0.135907  -0.115118
+    1SOL     H6    6  -0.023904   0.272932  -0.156028
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/248/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014900  -0.088617  -0.032976
+    0SOL     H3    3  -0.031352  -0.002448   0.090407
+    1SOL     O4    4   0.282916   0.070235  -0.039813
+    1SOL     H5    5   0.256558   0.091522  -0.129337
+    1SOL     H6    6   0.202782   0.038635   0.001926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/249/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086966  -0.038019   0.012401
+    0SOL     H3    3  -0.056224  -0.074783  -0.020216
+    1SOL     O4    4  -0.057851   0.101134   0.275285
+    1SOL     H5    5   0.002388   0.036444   0.312011
+    1SOL     H6    6  -0.063026   0.079033   0.182295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/250/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024508  -0.090691  -0.018352
+    0SOL     H3    3  -0.006010   0.007685   0.095222
+    1SOL     O4    4  -0.132971   0.195503  -0.153066
+    1SOL     H5    5  -0.068394   0.254652  -0.114420
+    1SOL     H6    6  -0.105878   0.108311  -0.124329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/251/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089444  -0.033020   0.008474
+    0SOL     H3    3   0.003523   0.037435  -0.088026
+    1SOL     O4    4   0.210087  -0.208342   0.031905
+    1SOL     H5    5   0.137139  -0.154613   0.001017
+    1SOL     H6    6   0.221626  -0.182811   0.123433
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/252/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086072   0.040194  -0.011759
+    0SOL     H3    3   0.006699  -0.047214   0.082996
+    1SOL     O4    4   0.166322  -0.261552   0.070206
+    1SOL     H5    5   0.073602  -0.264956   0.093739
+    1SOL     H6    6   0.197517  -0.351202   0.082534
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/253/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044389  -0.081909   0.021975
+    0SOL     H3    3  -0.093224  -0.020803   0.006234
+    1SOL     O4    4   0.077551   0.028316   0.356649
+    1SOL     H5    5   0.079176  -0.066980   0.347798
+    1SOL     H6    6   0.055252   0.043511   0.448487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/254/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095015   0.009633   0.006460
+    0SOL     H3    3  -0.014707  -0.034291  -0.088148
+    1SOL     O4    4  -0.047449   0.181051   0.330518
+    1SOL     H5    5  -0.102687   0.208113   0.403857
+    1SOL     H6    6  -0.027846   0.088992   0.347930
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/255/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084122   0.040831  -0.020459
+    0SOL     H3    3   0.018323   0.026634   0.090096
+    1SOL     O4    4  -0.033382  -0.277682  -0.061679
+    1SOL     H5    5  -0.019513  -0.186442  -0.036278
+    1SOL     H6    6  -0.034323  -0.276073  -0.157381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/256/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005573  -0.089105  -0.034520
+    0SOL     H3    3  -0.011082  -0.011477   0.094381
+    1SOL     O4    4  -0.114790   0.182447  -0.217578
+    1SOL     H5    5  -0.041194   0.243255  -0.224530
+    1SOL     H6    6  -0.086953   0.118471  -0.152045
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/257/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017042  -0.093323   0.012753
+    0SOL     H3    3  -0.089447   0.012608   0.031663
+    1SOL     O4    4   0.017664   0.064265  -0.256542
+    1SOL     H5    5   0.031709  -0.027173  -0.281120
+    1SOL     H6    6  -0.000513   0.061346  -0.162609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/258/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090027  -0.021220  -0.024640
+    0SOL     H3    3  -0.054004  -0.055293  -0.056467
+    1SOL     O4    4   0.171085  -0.069995   0.247325
+    1SOL     H5    5   0.239915  -0.023321   0.199931
+    1SOL     H6    6   0.213792  -0.101171   0.327115
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/259/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006239   0.094909  -0.010759
+    0SOL     H3    3   0.090738  -0.020768  -0.022306
+    1SOL     O4    4  -0.191825  -0.193417  -0.006623
+    1SOL     H5    5  -0.114954  -0.136437  -0.009178
+    1SOL     H6    6  -0.158720  -0.276910   0.026472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/260/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073282   0.050884  -0.034682
+    0SOL     H3    3   0.000886   0.019939   0.093616
+    1SOL     O4    4  -0.071677   0.075132   0.266618
+    1SOL     H5    5  -0.150705   0.129141   0.266726
+    1SOL     H6    6  -0.003615   0.132118   0.302429
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/261/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082784  -0.040391  -0.026033
+    0SOL     H3    3  -0.005613   0.089666  -0.033029
+    1SOL     O4    4   0.116295  -0.016244  -0.319518
+    1SOL     H5    5   0.150821  -0.007443  -0.408359
+    1SOL     H6    6   0.027032  -0.048639  -0.331559
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/262/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027645  -0.089943   0.017562
+    0SOL     H3    3  -0.076137   0.013170   0.056498
+    1SOL     O4    4   0.233932   0.143113   0.004777
+    1SOL     H5    5   0.184774   0.209206  -0.043982
+    1SOL     H6    6   0.177793   0.065597   0.003414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/263/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084888   0.034095  -0.028175
+    0SOL     H3    3   0.011958  -0.020523   0.092726
+    1SOL     O4    4   0.233883   0.098427  -0.100192
+    1SOL     H5    5   0.259844   0.181157  -0.059645
+    1SOL     H6    6   0.282196   0.095982  -0.182788
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/264/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053364   0.078577   0.011841
+    0SOL     H3    3   0.054977  -0.071426   0.032220
+    1SOL     O4    4   0.172073   0.203523   0.067158
+    1SOL     H5    5   0.129947   0.289029   0.058413
+    1SOL     H6    6   0.248443   0.208403   0.009659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/265/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016307  -0.004894   0.094194
+    0SOL     H3    3   0.078441   0.041559  -0.035808
+    1SOL     O4    4  -0.182906   0.187544  -0.021035
+    1SOL     H5    5  -0.129584   0.110792  -0.000341
+    1SOL     H6    6  -0.271664   0.153122  -0.031008
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/266/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089108  -0.033599  -0.009650
+    0SOL     H3    3  -0.055799  -0.069710  -0.034485
+    1SOL     O4    4  -0.134840  -0.220171  -0.158590
+    1SOL     H5    5  -0.218683  -0.244733  -0.119482
+    1SOL     H6    6  -0.157226  -0.190893  -0.246931
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/267/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089585   0.029902   0.015579
+    0SOL     H3    3   0.053295   0.051117   0.060902
+    1SOL     O4    4   0.055088  -0.066871  -0.274250
+    1SOL     H5    5  -0.010858  -0.025710  -0.330099
+    1SOL     H6    6   0.034048  -0.036553  -0.185929
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/268/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064086   0.067657  -0.021860
+    0SOL     H3    3   0.054215  -0.007958  -0.078484
+    1SOL     O4    4  -0.100451   0.258874  -0.076849
+    1SOL     H5    5  -0.190476   0.290188  -0.085634
+    1SOL     H6    6  -0.049898   0.337072  -0.054674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/269/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002294  -0.092437  -0.024750
+    0SOL     H3    3  -0.044415   0.003268   0.084729
+    1SOL     O4    4  -0.217902   0.177925   0.228348
+    1SOL     H5    5  -0.160589   0.239592   0.182798
+    1SOL     H6    6  -0.185191   0.176715   0.318298
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/270/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036680  -0.086026   0.020406
+    0SOL     H3    3  -0.009681  -0.000014  -0.095229
+    1SOL     O4    4   0.115650   0.214495   0.124099
+    1SOL     H5    5   0.166799   0.182680   0.198490
+    1SOL     H6    6   0.079819   0.135313   0.083992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/271/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045108  -0.070594   0.046304
+    0SOL     H3    3  -0.046363   0.007455  -0.083410
+    1SOL     O4    4   0.180276   0.165314   0.144167
+    1SOL     H5    5   0.265068   0.121147   0.139489
+    1SOL     H6    6   0.122225   0.111588   0.090260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/272/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080191  -0.040740   0.032741
+    0SOL     H3    3  -0.007010  -0.006366  -0.095251
+    1SOL     O4    4   0.125438   0.212588   0.156587
+    1SOL     H5    5   0.219395   0.203420   0.140765
+    1SOL     H6    6   0.085131   0.145796   0.101120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/273/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002776  -0.094107  -0.017277
+    0SOL     H3    3  -0.083741   0.019126   0.042237
+    1SOL     O4    4   0.046903  -0.262371   0.007760
+    1SOL     H5    5   0.005759  -0.332064  -0.043352
+    1SOL     H6    6   0.140794  -0.274429  -0.006437
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/274/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013619  -0.093920  -0.012484
+    0SOL     H3    3  -0.032485   0.017427   0.088337
+    1SOL     O4    4   0.190163   0.108676   0.292009
+    1SOL     H5    5   0.104997   0.065073   0.289216
+    1SOL     H6    6   0.175910   0.192067   0.247229
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/275/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076784  -0.056238  -0.010191
+    0SOL     H3    3  -0.031711   0.087901  -0.020740
+    1SOL     O4    4  -0.207080  -0.153167  -0.063368
+    1SOL     H5    5  -0.295546  -0.148506  -0.027114
+    1SOL     H6    6  -0.189440  -0.246883  -0.071637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/276/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016058  -0.075156  -0.057062
+    0SOL     H3    3   0.093544  -0.004453   0.019798
+    1SOL     O4    4   0.289109  -0.101891   0.017003
+    1SOL     H5    5   0.291906  -0.188439   0.057794
+    1SOL     H6    6   0.380934  -0.075942   0.009449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/277/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078489   0.039374  -0.038098
+    0SOL     H3    3   0.027182  -0.027936   0.087425
+    1SOL     O4    4   0.260900   0.100055  -0.021793
+    1SOL     H5    5   0.269176   0.187407   0.016464
+    1SOL     H6    6   0.275123   0.113449  -0.115498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/278/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061252   0.061278  -0.040689
+    0SOL     H3    3  -0.008172   0.016693   0.093898
+    1SOL     O4    4  -0.174961   0.194931  -0.067814
+    1SOL     H5    5  -0.267242   0.186052  -0.043989
+    1SOL     H6    6  -0.174176   0.189128  -0.163355
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/279/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005021  -0.079854  -0.052540
+    0SOL     H3    3  -0.008141  -0.031072   0.090170
+    1SOL     O4    4  -0.015065  -0.288524  -0.043006
+    1SOL     H5    5   0.066956  -0.329674  -0.015776
+    1SOL     H6    6  -0.021583  -0.307609  -0.136577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/280/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085378  -0.042325   0.009025
+    0SOL     H3    3   0.011607   0.010731  -0.094406
+    1SOL     O4    4   0.247562  -0.169003   0.023067
+    1SOL     H5    5   0.169342  -0.133091  -0.018818
+    1SOL     H6    6   0.235500  -0.150593   0.116222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/281/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067001   0.050402  -0.046183
+    0SOL     H3    3   0.043778  -0.031206   0.079196
+    1SOL     O4    4   0.104146  -0.055438   0.249620
+    1SOL     H5    5   0.182113  -0.001014   0.260641
+    1SOL     H6    6   0.122719  -0.134509   0.300267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/282/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030908  -0.003619  -0.090520
+    0SOL     H3    3   0.010588   0.091700   0.025326
+    1SOL     O4    4   0.059714   0.037224  -0.266879
+    1SOL     H5    5   0.032587   0.127897  -0.281190
+    1SOL     H6    6   0.147423   0.032133  -0.304874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/283/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077817   0.049450  -0.025721
+    0SOL     H3    3   0.008726   0.016142   0.093945
+    1SOL     O4    4   0.129279   0.287221   0.037755
+    1SOL     H5    5   0.130136   0.274102  -0.057058
+    1SOL     H6    6   0.132591   0.198793   0.074249
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/284/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068174   0.050392  -0.044443
+    0SOL     H3    3  -0.077212   0.056511  -0.002678
+    1SOL     O4    4  -0.025681   0.184142  -0.263900
+    1SOL     H5    5  -0.039345   0.216699  -0.352869
+    1SOL     H6    6   0.024030   0.103149  -0.275353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/285/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070469  -0.040797  -0.050319
+    0SOL     H3    3  -0.071439  -0.063648  -0.002789
+    1SOL     O4    4  -0.208152  -0.187487  -0.026630
+    1SOL     H5    5  -0.292471  -0.174609   0.016806
+    1SOL     H6    6  -0.193004  -0.281893  -0.022123
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/286/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020255   0.067672   0.064595
+    0SOL     H3    3  -0.088690  -0.028456   0.022059
+    1SOL     O4    4   0.210831  -0.169301   0.038484
+    1SOL     H5    5   0.195549  -0.131810   0.125221
+    1SOL     H6    6   0.143070  -0.130349  -0.016774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/287/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095264   0.003867  -0.008490
+    0SOL     H3    3   0.024719   0.086529   0.032620
+    1SOL     O4    4   0.118789   0.228596   0.095265
+    1SOL     H5    5   0.185011   0.266817   0.037679
+    1SOL     H6    6   0.157214   0.233775   0.182781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/288/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065274  -0.060166  -0.035801
+    0SOL     H3    3   0.020605   0.004992   0.093343
+    1SOL     O4    4   0.074195   0.231338  -0.135014
+    1SOL     H5    5   0.042184   0.148489  -0.099325
+    1SOL     H6    6   0.004922   0.294358  -0.115215
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/289/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008160   0.093058   0.020879
+    0SOL     H3    3   0.013282  -0.004606  -0.094682
+    1SOL     O4    4  -0.260226  -0.086098   0.014970
+    1SOL     H5    5  -0.224333  -0.124433   0.094997
+    1SOL     H6    6  -0.190019  -0.030302  -0.018496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/290/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083247   0.034418  -0.032369
+    0SOL     H3    3   0.013681  -0.011382   0.094051
+    1SOL     O4    4   0.241484   0.108152  -0.081113
+    1SOL     H5    5   0.251334   0.202406  -0.067638
+    1SOL     H6    6   0.296502   0.088885  -0.157035
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/291/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013798   0.091634   0.023981
+    0SOL     H3    3   0.005298  -0.000856  -0.095570
+    1SOL     O4    4   0.133826  -0.209201   0.172543
+    1SOL     H5    5   0.070119  -0.280526   0.168485
+    1SOL     H6    6   0.096034  -0.140140   0.118094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/292/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001701   0.024892  -0.092411
+    0SOL     H3    3  -0.055678  -0.077703   0.004953
+    1SOL     O4    4  -0.061009  -0.018593   0.349710
+    1SOL     H5    5  -0.093251  -0.106669   0.330591
+    1SOL     H6    6  -0.098423   0.036167   0.280689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/293/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073161   0.057530  -0.022362
+    0SOL     H3    3   0.000762  -0.003720   0.095645
+    1SOL     O4    4   0.169356  -0.199405  -0.182684
+    1SOL     H5    5   0.174097  -0.287990  -0.218637
+    1SOL     H6    6   0.152443  -0.212258  -0.089352
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/294/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068693   0.060375  -0.028256
+    0SOL     H3    3   0.003995   0.010961   0.095006
+    1SOL     O4    4  -0.019518  -0.277598  -0.042200
+    1SOL     H5    5  -0.011271  -0.193412   0.002599
+    1SOL     H6    6  -0.005743  -0.257030  -0.134664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/295/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072860  -0.051271  -0.035001
+    0SOL     H3    3   0.076797  -0.055729  -0.012601
+    1SOL     O4    4  -0.131001  -0.213513  -0.135346
+    1SOL     H5    5  -0.138645  -0.217147  -0.230691
+    1SOL     H6    6  -0.209260  -0.258336  -0.103271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/296/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052601   0.067502   0.042882
+    0SOL     H3    3  -0.089993   0.019481   0.026155
+    1SOL     O4    4  -0.257712   0.091989   0.107072
+    1SOL     H5    5  -0.223421   0.090968   0.196433
+    1SOL     H6    6  -0.310449   0.012363   0.100692
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/297/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002803  -0.092374  -0.024931
+    0SOL     H3    3  -0.026780  -0.000746   0.091895
+    1SOL     O4    4  -0.026781  -0.293967  -0.074488
+    1SOL     H5    5   0.046133  -0.333422  -0.026644
+    1SOL     H6    6  -0.006117  -0.309348  -0.166677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/298/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079244   0.030824   0.043961
+    0SOL     H3    3   0.026196  -0.011620  -0.091329
+    1SOL     O4    4  -0.346126  -0.070168  -0.062686
+    1SOL     H5    5  -0.301910  -0.014467   0.001381
+    1SOL     H6    6  -0.438727  -0.047376  -0.054447
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/299/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093366   0.014705   0.015127
+    0SOL     H3    3   0.041651   0.082459   0.025061
+    1SOL     O4    4  -0.082434   0.355256   0.117237
+    1SOL     H5    5  -0.004856   0.309643   0.149846
+    1SOL     H6    6  -0.082638   0.337966   0.023092
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/300/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051872  -0.015925   0.078855
+    0SOL     H3    3  -0.075936   0.049464   0.030810
+    1SOL     O4    4  -0.092108  -0.267752   0.195980
+    1SOL     H5    5  -0.099516  -0.258690   0.290981
+    1SOL     H6    6  -0.004329  -0.235493   0.175567
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/301/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074342  -0.052381   0.029864
+    0SOL     H3    3  -0.020500   0.021007  -0.091109
+    1SOL     O4    4  -0.169716   0.210163   0.178158
+    1SOL     H5    5  -0.179266   0.305181   0.184686
+    1SOL     H6    6  -0.139804   0.195155   0.088478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/302/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087286   0.039110   0.003736
+    0SOL     H3    3   0.006741  -0.078915   0.053752
+    1SOL     O4    4   0.181724  -0.243679   0.125499
+    1SOL     H5    5   0.146194  -0.325238   0.090171
+    1SOL     H6    6   0.161367  -0.247131   0.218966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/303/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028805  -0.075820  -0.050832
+    0SOL     H3    3  -0.077933   0.055116   0.007143
+    1SOL     O4    4  -0.215512   0.131317   0.010770
+    1SOL     H5    5  -0.247987   0.156673  -0.075629
+    1SOL     H6    6  -0.287911   0.082777   0.050325
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/304/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052623  -0.069718   0.039148
+    0SOL     H3    3  -0.021854  -0.002861  -0.093148
+    1SOL     O4    4  -0.239379  -0.139085  -0.003586
+    1SOL     H5    5  -0.261268  -0.224088  -0.041765
+    1SOL     H6    6  -0.260196  -0.148452   0.089372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/305/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057938   0.065681   0.038620
+    0SOL     H3    3  -0.080257   0.047928  -0.020591
+    1SOL     O4    4  -0.127213   0.157469  -0.336479
+    1SOL     H5    5  -0.140681   0.182802  -0.427798
+    1SOL     H6    6  -0.215031   0.137930  -0.303792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/306/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018247   0.007886  -0.093633
+    0SOL     H3    3  -0.080348  -0.036449   0.037122
+    1SOL     O4    4  -0.080173   0.013300  -0.269008
+    1SOL     H5    5  -0.123873  -0.067489  -0.295947
+    1SOL     H6    6  -0.132589   0.083153  -0.308192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/307/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002785   0.016386   0.094266
+    0SOL     H3    3  -0.077002   0.048024  -0.030442
+    1SOL     O4    4  -0.047452  -0.284154  -0.055851
+    1SOL     H5    5  -0.046184  -0.211419   0.006362
+    1SOL     H6    6  -0.036367  -0.242732  -0.141429
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/308/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008336   0.087586   0.037704
+    0SOL     H3    3   0.007952   0.013656  -0.094407
+    1SOL     O4    4   0.247857   0.074120   0.200011
+    1SOL     H5    5   0.283028   0.162966   0.194380
+    1SOL     H6    6   0.312506   0.025942   0.251603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/309/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019490   0.091514   0.020191
+    0SOL     H3    3   0.004212  -0.004928  -0.095500
+    1SOL     O4    4   0.051154   0.275653   0.047972
+    1SOL     H5    5  -0.017187   0.328330   0.006534
+    1SOL     H6    6   0.051014   0.303825   0.139452
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/310/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045901  -0.077322  -0.032814
+    0SOL     H3    3  -0.045730   0.073891  -0.040140
+    1SOL     O4    4  -0.160687  -0.198242  -0.101181
+    1SOL     H5    5  -0.255445  -0.186278  -0.094846
+    1SOL     H6    6  -0.148106  -0.293021  -0.096605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/311/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014934  -0.091373  -0.024297
+    0SOL     H3    3  -0.019381   0.003399   0.093676
+    1SOL     O4    4  -0.035396  -0.087001   0.287024
+    1SOL     H5    5  -0.116038  -0.051925   0.324824
+    1SOL     H6    6  -0.049496  -0.181628   0.283979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/312/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084915   0.039215  -0.020347
+    0SOL     H3    3   0.010814  -0.036406   0.087863
+    1SOL     O4    4  -0.232556   0.149847  -0.102564
+    1SOL     H5    5  -0.149332   0.138304  -0.056707
+    1SOL     H6    6  -0.214644   0.121643  -0.192264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/313/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076847  -0.057068   0.000029
+    0SOL     H3    3  -0.024586   0.073332  -0.056395
+    1SOL     O4    4  -0.237035  -0.168558  -0.073731
+    1SOL     H5    5  -0.320546  -0.175337  -0.027446
+    1SOL     H6    6  -0.195995  -0.254215  -0.061861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/314/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078921   0.049360   0.022302
+    0SOL     H3    3   0.070044   0.043476   0.048641
+    1SOL     O4    4   0.008906  -0.251021   0.080739
+    1SOL     H5    5  -0.023708  -0.161313   0.073588
+    1SOL     H6    6   0.085760  -0.253233   0.023724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/315/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082161   0.033057  -0.036320
+    0SOL     H3    3  -0.003234   0.024170   0.092562
+    1SOL     O4    4   0.018194   0.034228   0.258823
+    1SOL     H5    5  -0.072827   0.056552   0.278297
+    1SOL     H6    6   0.069389   0.103159   0.301129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/316/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018908   0.074258  -0.057364
+    0SOL     H3    3  -0.033204  -0.076137  -0.047570
+    1SOL     O4    4  -0.009982   0.069467   0.253708
+    1SOL     H5    5  -0.019837   0.031986   0.166185
+    1SOL     H6    6   0.003114   0.163044   0.238406
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/317/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032680  -0.002687  -0.089928
+    0SOL     H3    3  -0.087035  -0.039536  -0.004903
+    1SOL     O4    4   0.212786  -0.207509  -0.025743
+    1SOL     H5    5   0.301036  -0.184610  -0.054894
+    1SOL     H6    6   0.155239  -0.149469  -0.075564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/318/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004681   0.094919  -0.011436
+    0SOL     H3    3  -0.086465  -0.024495   0.032958
+    1SOL     O4    4   0.346798   0.283450   0.124870
+    1SOL     H5    5   0.431768   0.251075   0.154778
+    1SOL     H6    6   0.349236   0.272942   0.029760
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/319/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072837  -0.010423   0.061224
+    0SOL     H3    3   0.033833  -0.032734  -0.083344
+    1SOL     O4    4   0.083926   0.284116   0.037956
+    1SOL     H5    5   0.057486   0.208235  -0.014057
+    1SOL     H6    6   0.053764   0.264152   0.126579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/320/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014886  -0.094220   0.007952
+    0SOL     H3    3  -0.079380   0.016143   0.050995
+    1SOL     O4    4  -0.258274   0.003217   0.122981
+    1SOL     H5    5  -0.255766  -0.001734   0.218540
+    1SOL     H6    6  -0.286869  -0.083800   0.095184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/321/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086441  -0.040619  -0.006355
+    0SOL     H3    3  -0.059373  -0.063539  -0.040000
+    1SOL     O4    4   0.279818  -0.082934  -0.058431
+    1SOL     H5    5   0.317008  -0.012327  -0.005574
+    1SOL     H6    6   0.307072  -0.163161  -0.013899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/322/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065527  -0.067001   0.019477
+    0SOL     H3    3  -0.051095   0.078354  -0.020305
+    1SOL     O4    4   0.075360   0.022546   0.314622
+    1SOL     H5    5  -0.013592  -0.006307   0.335048
+    1SOL     H6    6   0.074465   0.038056   0.220171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/323/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091881   0.022700   0.014312
+    0SOL     H3    3   0.016617   0.023605  -0.091263
+    1SOL     O4    4   0.123988   0.071298  -0.240108
+    1SOL     H5    5   0.130507   0.149932  -0.294297
+    1SOL     H6    6   0.134371  -0.001227  -0.301709
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/324/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061282   0.057920  -0.045301
+    0SOL     H3    3  -0.001855   0.029566   0.091020
+    1SOL     O4    4  -0.232237   0.162410  -0.037125
+    1SOL     H5    5  -0.278915   0.081800  -0.015088
+    1SOL     H6    6  -0.241061   0.170044  -0.132131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/325/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084888   0.040558   0.017649
+    0SOL     H3    3   0.062485   0.072402   0.003998
+    1SOL     O4    4   0.160201   0.237294   0.114139
+    1SOL     H5    5   0.222302   0.285751   0.059754
+    1SOL     H6    6   0.210837   0.211411   0.191135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/326/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089682  -0.002756   0.033345
+    0SOL     H3    3   0.023592  -0.091847  -0.013030
+    1SOL     O4    4  -0.261708  -0.016982   0.096466
+    1SOL     H5    5  -0.324211   0.041107   0.053091
+    1SOL     H6    6  -0.265031   0.008704   0.188616
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/327/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044612   0.073087   0.042784
+    0SOL     H3    3  -0.092098   0.025999  -0.002072
+    1SOL     O4    4   0.159887   0.205934   0.092997
+    1SOL     H5    5   0.221932   0.235229   0.026255
+    1SOL     H6    6   0.207661   0.214337   0.175515
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/328/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081846   0.037128  -0.032939
+    0SOL     H3    3   0.023861  -0.040490   0.083388
+    1SOL     O4    4   0.290350   0.091043  -0.024599
+    1SOL     H5    5   0.260695   0.174177   0.012438
+    1SOL     H6    6   0.293864   0.106705  -0.118964
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/329/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015183   0.091111   0.025112
+    0SOL     H3    3  -0.095011  -0.010661   0.004652
+    1SOL     O4    4   0.328931  -0.008663  -0.056449
+    1SOL     H5    5   0.335592  -0.101151  -0.080198
+    1SOL     H6    6   0.304197  -0.009350   0.036017
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/330/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036292   0.084527   0.026465
+    0SOL     H3    3   0.071315  -0.062246   0.014212
+    1SOL     O4    4   0.219388  -0.177066   0.058346
+    1SOL     H5    5   0.264142  -0.195818   0.140855
+    1SOL     H6    6   0.166398  -0.254988   0.041537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/331/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046150  -0.082160  -0.016801
+    0SOL     H3    3  -0.050660   0.066073  -0.047227
+    1SOL     O4    4  -0.055131  -0.204333   0.259091
+    1SOL     H5    5  -0.042441  -0.253359   0.177865
+    1SOL     H6    6  -0.034472  -0.267007   0.328427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/332/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072645  -0.062169  -0.004483
+    0SOL     H3    3   0.074983  -0.048147  -0.034954
+    1SOL     O4    4   0.062960   0.011636   0.272621
+    1SOL     H5    5   0.062663   0.004890   0.177140
+    1SOL     H6    6   0.021001  -0.069038   0.302511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/333/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069592  -0.027743   0.059579
+    0SOL     H3    3   0.027602  -0.032223  -0.085803
+    1SOL     O4    4  -0.048910  -0.267678   0.179644
+    1SOL     H5    5  -0.124629  -0.291274   0.233238
+    1SOL     H6    6  -0.081975  -0.268244   0.089818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/334/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087711  -0.033697  -0.018266
+    0SOL     H3    3  -0.058168  -0.054517  -0.052979
+    1SOL     O4    4   0.274081  -0.050798  -0.032871
+    1SOL     H5    5   0.364145  -0.075895  -0.012353
+    1SOL     H6    6   0.267568   0.040434  -0.004647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/335/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089933  -0.030212   0.012715
+    0SOL     H3    3  -0.020579  -0.023322  -0.090526
+    1SOL     O4    4   0.240450  -0.123268   0.057622
+    1SOL     H5    5   0.274479  -0.110263   0.146138
+    1SOL     H6    6   0.310355  -0.091988   0.000200
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/336/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018791   0.000608  -0.093855
+    0SOL     H3    3   0.062914  -0.071231   0.011418
+    1SOL     O4    4   0.036491  -0.261854   0.077572
+    1SOL     H5    5  -0.009892  -0.317283   0.014813
+    1SOL     H6    6   0.125204  -0.297701   0.080271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/337/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086123   0.019852  -0.036756
+    0SOL     H3    3   0.013969  -0.000996   0.094690
+    1SOL     O4    4  -0.138754  -0.235716  -0.074543
+    1SOL     H5    5  -0.218917  -0.184351  -0.064652
+    1SOL     H6    6  -0.070574  -0.181735  -0.034545
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/338/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014713  -0.031091  -0.089326
+    0SOL     H3    3   0.007901   0.095197  -0.006116
+    1SOL     O4    4   0.055349   0.266679   0.055515
+    1SOL     H5    5   0.150035   0.280381   0.052474
+    1SOL     H6    6   0.033453   0.270996   0.148597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/339/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055621   0.067571   0.038766
+    0SOL     H3    3  -0.086962   0.039812  -0.003879
+    1SOL     O4    4   0.132519   0.218596   0.109379
+    1SOL     H5    5   0.203036   0.261961   0.061325
+    1SOL     H6    6   0.165102   0.212114   0.199148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/340/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069642  -0.021593   0.062016
+    0SOL     H3    3   0.032598   0.076810  -0.046904
+    1SOL     O4    4  -0.205479  -0.177022   0.012600
+    1SOL     H5    5  -0.283607  -0.140095   0.053767
+    1SOL     H6    6  -0.140581  -0.106799   0.016975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/341/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060897   0.057702  -0.046091
+    0SOL     H3    3   0.070037   0.057991   0.029905
+    1SOL     O4    4  -0.180577   0.169385  -0.169868
+    1SOL     H5    5  -0.127289   0.248626  -0.176469
+    1SOL     H6    6  -0.210811   0.153281  -0.259248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/342/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045793   0.067380  -0.050253
+    0SOL     H3    3   0.092846   0.017973  -0.014796
+    1SOL     O4    4   0.141218  -0.008598  -0.371954
+    1SOL     H5    5   0.175952  -0.089915  -0.335303
+    1SOL     H6    6   0.149626   0.055187  -0.301080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/343/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011207   0.086971   0.038378
+    0SOL     H3    3   0.002213   0.015007  -0.094510
+    1SOL     O4    4  -0.004370   0.271670   0.060938
+    1SOL     H5    5  -0.083646   0.313112   0.026877
+    1SOL     H6    6  -0.009963   0.283476   0.155762
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/344/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005037   0.004905  -0.095461
+    0SOL     H3    3  -0.085320  -0.034116   0.026813
+    1SOL     O4    4  -0.272378  -0.056681   0.040401
+    1SOL     H5    5  -0.295544  -0.084958   0.128866
+    1SOL     H6    6  -0.290038  -0.133014  -0.014588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/345/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015212   0.050701   0.079752
+    0SOL     H3    3  -0.076607   0.040941  -0.040219
+    1SOL     O4    4   0.261116  -0.175768   0.167381
+    1SOL     H5    5   0.200551  -0.199033   0.237758
+    1SOL     H6    6   0.324566  -0.247416   0.165660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/346/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084553   0.044867  -0.000376
+    0SOL     H3    3  -0.001790  -0.048518  -0.082493
+    1SOL     O4    4   0.291450  -0.148321  -0.165653
+    1SOL     H5    5   0.250577  -0.230581  -0.192580
+    1SOL     H6    6   0.228560  -0.080808  -0.191129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/347/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087780  -0.031426  -0.021665
+    0SOL     H3    3  -0.004553   0.087284  -0.039026
+    1SOL     O4    4  -0.007864   0.252432  -0.141850
+    1SOL     H5    5  -0.082170   0.309149  -0.121256
+    1SOL     H6    6  -0.037358   0.200431  -0.216605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/348/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077486  -0.036806  -0.042469
+    0SOL     H3    3  -0.055353  -0.075798   0.018787
+    1SOL     O4    4  -0.208427  -0.184387   0.040846
+    1SOL     H5    5  -0.259824  -0.185538   0.121589
+    1SOL     H6    6  -0.250869  -0.249052  -0.015541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/349/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065183   0.046489  -0.052463
+    0SOL     H3    3   0.040181  -0.008141   0.086496
+    1SOL     O4    4   0.197106  -0.211822  -0.188991
+    1SOL     H5    5   0.274004  -0.213148  -0.245976
+    1SOL     H6    6   0.228875  -0.174717  -0.106673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/350/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015410  -0.027932  -0.090248
+    0SOL     H3    3   0.057527  -0.055648   0.052500
+    1SOL     O4    4   0.154507  -0.187039   0.114181
+    1SOL     H5    5   0.097142  -0.263342   0.107154
+    1SOL     H6    6   0.242613  -0.223807   0.121081
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/351/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013545  -0.094527   0.006598
+    0SOL     H3    3  -0.085192   0.014956   0.041001
+    1SOL     O4    4   0.074514   0.048672  -0.271500
+    1SOL     H5    5   0.168870   0.064365  -0.275099
+    1SOL     H6    6   0.050159   0.069419  -0.181285
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/352/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047235   0.067542  -0.048675
+    0SOL     H3    3  -0.041108  -0.082150  -0.026906
+    1SOL     O4    4  -0.356823  -0.074584   0.149038
+    1SOL     H5    5  -0.279169  -0.124164   0.175002
+    1SOL     H6    6  -0.322151   0.002792   0.104618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/353/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091556  -0.025551  -0.011269
+    0SOL     H3    3  -0.049220  -0.081235  -0.011858
+    1SOL     O4    4   0.254332   0.203959   0.022452
+    1SOL     H5    5   0.179275   0.258301  -0.001544
+    1SOL     H6    6   0.268505   0.222273   0.115328
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/354/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070016   0.045674   0.046626
+    0SOL     H3    3  -0.015949   0.053517  -0.077743
+    1SOL     O4    4   0.197886   0.150118   0.088043
+    1SOL     H5    5   0.229610   0.111796   0.169819
+    1SOL     H6    6   0.197564   0.244450   0.104284
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/355/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045996  -0.057911  -0.060770
+    0SOL     H3    3   0.051833  -0.003528   0.080394
+    1SOL     O4    4   0.258662  -0.133022   0.089368
+    1SOL     H5    5   0.268383  -0.047998   0.132249
+    1SOL     H6    6   0.306649  -0.124005   0.007038
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/356/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015585   0.094379   0.003481
+    0SOL     H3    3  -0.083059  -0.036950  -0.029971
+    1SOL     O4    4  -0.011439  -0.055531  -0.331832
+    1SOL     H5    5  -0.106407  -0.047167  -0.340398
+    1SOL     H6    6   0.020756  -0.056939  -0.421965
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/357/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089484  -0.007703  -0.033099
+    0SOL     H3    3   0.047781  -0.070732  -0.043316
+    1SOL     O4    4   0.217893  -0.135312  -0.079322
+    1SOL     H5    5   0.198690  -0.226723  -0.058402
+    1SOL     H6    6   0.228913  -0.134255  -0.174399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/358/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094086   0.016767   0.005387
+    0SOL     H3    3   0.023138  -0.034833   0.086102
+    1SOL     O4    4   0.068063  -0.124379   0.220759
+    1SOL     H5    5   0.033482  -0.191986   0.279031
+    1SOL     H6    6   0.116872  -0.065635   0.278458
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/359/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060984  -0.004614   0.073634
+    0SOL     H3    3  -0.085422  -0.019963   0.038300
+    1SOL     O4    4  -0.214533  -0.069452   0.150711
+    1SOL     H5    5  -0.204530  -0.093881   0.242719
+    1SOL     H6    6  -0.254490   0.017494   0.153173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/360/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091331   0.003419  -0.028448
+    0SOL     H3    3   0.034473   0.087153  -0.019451
+    1SOL     O4    4  -0.242944  -0.135735  -0.067685
+    1SOL     H5    5  -0.333738  -0.127586  -0.038489
+    1SOL     H6    6  -0.216866  -0.223788  -0.040688
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/361/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055021  -0.051429  -0.059076
+    0SOL     H3    3  -0.019408   0.091041  -0.022297
+    1SOL     O4    4  -0.196646  -0.002251   0.190638
+    1SOL     H5    5  -0.201680  -0.095036   0.213615
+    1SOL     H6    6  -0.126255   0.002672   0.125961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/362/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000943   0.076929   0.056950
+    0SOL     H3    3   0.026056   0.033372  -0.085847
+    1SOL     O4    4   0.050470   0.279202   0.021964
+    1SOL     H5    5  -0.033793   0.321210   0.004716
+    1SOL     H6    6   0.067413   0.296524   0.114566
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/363/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033028  -0.006677   0.089593
+    0SOL     H3    3   0.094155  -0.015306   0.007929
+    1SOL     O4    4  -0.104052   0.025417   0.264742
+    1SOL     H5    5  -0.080920   0.001651   0.354533
+    1SOL     H6    6  -0.186619   0.073124   0.273057
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/364/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083391  -0.042710   0.019598
+    0SOL     H3    3  -0.023723  -0.032404  -0.086888
+    1SOL     O4    4  -0.010714   0.275837   0.043016
+    1SOL     H5    5  -0.016057   0.274275   0.138574
+    1SOL     H6    6  -0.005200   0.183668   0.017779
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/365/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069637   0.057812   0.031158
+    0SOL     H3    3  -0.071848   0.059037  -0.022689
+    1SOL     O4    4   0.073374  -0.098693  -0.240088
+    1SOL     H5    5  -0.002250  -0.154792  -0.257298
+    1SOL     H6    6   0.058506  -0.064781  -0.151820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/366/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090819   0.029759   0.005345
+    0SOL     H3    3   0.051116   0.072262   0.036438
+    1SOL     O4    4   0.166286   0.208434  -0.237937
+    1SOL     H5    5   0.251845   0.250128  -0.227767
+    1SOL     H6    6   0.174357   0.125350  -0.191095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/367/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014168  -0.072355   0.061044
+    0SOL     H3    3  -0.064511  -0.033448  -0.062305
+    1SOL     O4    4  -0.292974  -0.219196   0.063173
+    1SOL     H5    5  -0.284503  -0.124290   0.072314
+    1SOL     H6    6  -0.253292  -0.238768  -0.021706
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/368/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021435   0.018140  -0.091508
+    0SOL     H3    3  -0.084870  -0.012035   0.042598
+    1SOL     O4    4  -0.133347   0.042158  -0.233499
+    1SOL     H5    5  -0.223695   0.073670  -0.230932
+    1SOL     H6    6  -0.113763   0.033005  -0.326746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/369/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008291  -0.093538  -0.018552
+    0SOL     H3    3  -0.001406   0.005482   0.095552
+    1SOL     O4    4  -0.110990   0.194985  -0.167353
+    1SOL     H5    5  -0.043418   0.261977  -0.177769
+    1SOL     H6    6  -0.070843   0.128987  -0.110831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/370/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051078   0.062143   0.051881
+    0SOL     H3    3  -0.089795   0.032797   0.004843
+    1SOL     O4    4  -0.010407  -0.245026   0.136547
+    1SOL     H5    5   0.013312  -0.158580   0.102977
+    1SOL     H6    6  -0.001450  -0.237174   0.231523
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/371/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004292  -0.056635   0.077048
+    0SOL     H3    3   0.088500  -0.012670  -0.034198
+    1SOL     O4    4  -0.035210   0.259195   0.106392
+    1SOL     H5    5  -0.126924   0.275366   0.084273
+    1SOL     H6    6  -0.012227   0.180314   0.057280
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/372/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082091   0.020007  -0.044978
+    0SOL     H3    3   0.030682  -0.080911  -0.040918
+    1SOL     O4    4   0.127448  -0.260854  -0.010814
+    1SOL     H5    5   0.171118  -0.343543  -0.031252
+    1SOL     H6    6   0.109476  -0.265770   0.083075
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/373/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053537   0.037671  -0.069835
+    0SOL     H3    3  -0.006578  -0.094592  -0.013090
+    1SOL     O4    4   0.247476   0.103495  -0.060895
+    1SOL     H5    5   0.246944   0.197507  -0.042900
+    1SOL     H6    6   0.162858   0.072419  -0.028701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/374/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035401  -0.080657  -0.037464
+    0SOL     H3    3   0.093060  -0.018343   0.012873
+    1SOL     O4    4   0.270193  -0.016543  -0.029649
+    1SOL     H5    5   0.351650   0.033659  -0.027042
+    1SOL     H6    6   0.295412  -0.104654  -0.002031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/375/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046898   0.073605   0.039309
+    0SOL     H3    3   0.030376   0.033252  -0.084462
+    1SOL     O4    4   0.166850  -0.204218   0.060245
+    1SOL     H5    5   0.167589  -0.213181   0.155541
+    1SOL     H6    6   0.111418  -0.127948   0.043742
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/376/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020642   0.091729   0.017946
+    0SOL     H3    3   0.047006  -0.048842   0.067581
+    1SOL     O4    4   0.068559   0.276864  -0.039621
+    1SOL     H5    5   0.093073   0.324094  -0.119187
+    1SOL     H6    6   0.025263   0.342552   0.014903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/377/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032940  -0.045097   0.077740
+    0SOL     H3    3   0.014452   0.092857   0.018194
+    1SOL     O4    4  -0.205820  -0.042968  -0.296636
+    1SOL     H5    5  -0.209553   0.016069  -0.371889
+    1SOL     H6    6  -0.186217  -0.128728  -0.334363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/378/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044822   0.067696   0.050700
+    0SOL     H3    3  -0.093029   0.015191   0.016651
+    1SOL     O4    4  -0.261702  -0.065160   0.045448
+    1SOL     H5    5  -0.331492  -0.011048   0.008520
+    1SOL     H6    6  -0.252629  -0.034369   0.135625
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/379/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057994  -0.054191   0.053501
+    0SOL     H3    3  -0.017910  -0.053272  -0.077483
+    1SOL     O4    4  -0.024972   0.266946   0.048320
+    1SOL     H5    5  -0.011530   0.183902   0.002655
+    1SOL     H6    6  -0.046117   0.241755   0.138212
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/380/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072123   0.031730   0.054349
+    0SOL     H3    3   0.040441  -0.019529  -0.084531
+    1SOL     O4    4   0.051482  -0.021697  -0.259073
+    1SOL     H5    5   0.076999   0.049814  -0.317359
+    1SOL     H6    6   0.073201  -0.101221  -0.307721
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/381/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011330  -0.091689   0.025043
+    0SOL     H3    3   0.004591   0.048178   0.082584
+    1SOL     O4    4  -0.269456  -0.022835  -0.013868
+    1SOL     H5    5  -0.173814  -0.022424  -0.017705
+    1SOL     H6    6  -0.295366  -0.096717  -0.068936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/382/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093242  -0.006104  -0.020762
+    0SOL     H3    3  -0.019345   0.093669  -0.003777
+    1SOL     O4    4  -0.268700  -0.107290  -0.051784
+    1SOL     H5    5  -0.267280  -0.189374  -0.002565
+    1SOL     H6    6  -0.185734  -0.064810  -0.030004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/383/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005063   0.047963  -0.082682
+    0SOL     H3    3  -0.000232   0.068077   0.067288
+    1SOL     O4    4  -0.205388  -0.165195   0.063685
+    1SOL     H5    5  -0.136515  -0.100616   0.047924
+    1SOL     H6    6  -0.192721  -0.192069   0.154677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/384/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002012   0.077856  -0.055649
+    0SOL     H3    3  -0.090517  -0.011041   0.029105
+    1SOL     O4    4   0.351108   0.158115   0.016542
+    1SOL     H5    5   0.353713   0.151452  -0.078910
+    1SOL     H6    6   0.263754   0.127085   0.040391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/385/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081915  -0.029401   0.039848
+    0SOL     H3    3  -0.042497  -0.080476  -0.029664
+    1SOL     O4    4  -0.124548  -0.163101   0.219806
+    1SOL     H5    5  -0.033393  -0.144720   0.242506
+    1SOL     H6    6  -0.147733  -0.095048   0.156611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/386/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074567   0.059228  -0.009703
+    0SOL     H3    3   0.063260   0.049402   0.052153
+    1SOL     O4    4  -0.227769   0.128526  -0.099184
+    1SOL     H5    5  -0.222531   0.198864  -0.034473
+    1SOL     H6    6  -0.183560   0.163675  -0.176466
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/387/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034281  -0.062624   0.063760
+    0SOL     H3    3   0.010586   0.085320   0.042080
+    1SOL     O4    4   0.022815  -0.023311  -0.276050
+    1SOL     H5    5   0.021011   0.004823  -0.184576
+    1SOL     H6    6   0.100367  -0.079049  -0.282490
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/388/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079039  -0.035169  -0.040966
+    0SOL     H3    3   0.014977  -0.056573   0.075747
+    1SOL     O4    4   0.227003   0.122999  -0.183189
+    1SOL     H5    5   0.256895   0.104502  -0.094157
+    1SOL     H6    6   0.135418   0.148849  -0.172870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/389/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045793   0.074242   0.039414
+    0SOL     H3    3  -0.089705   0.007059   0.032643
+    1SOL     O4    4   0.123485   0.200951   0.135703
+    1SOL     H5    5   0.133980   0.190223   0.230239
+    1SOL     H6    6   0.183262   0.272131   0.112845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/390/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050336  -0.018043  -0.079392
+    0SOL     H3    3   0.060639  -0.018764   0.071646
+    1SOL     O4    4  -0.084806   0.216703   0.173614
+    1SOL     H5    5  -0.161813   0.273550   0.172793
+    1SOL     H6    6  -0.088422   0.170187   0.090035
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/391/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069323  -0.065616   0.007157
+    0SOL     H3    3  -0.037561   0.068685  -0.055081
+    1SOL     O4    4  -0.220568   0.232431   0.124718
+    1SOL     H5    5  -0.139663   0.283530   0.122337
+    1SOL     H6    6  -0.283627   0.289372   0.168805
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/392/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094574   0.008976  -0.011729
+    0SOL     H3    3  -0.032614   0.089976   0.001740
+    1SOL     O4    4  -0.190754   0.179759   0.323233
+    1SOL     H5    5  -0.196147   0.270353   0.353661
+    1SOL     H6    6  -0.280691   0.147373   0.328220
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/393/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071581   0.019697  -0.060419
+    0SOL     H3    3  -0.070738  -0.031740  -0.056134
+    1SOL     O4    4   0.219520  -0.040254  -0.250116
+    1SOL     H5    5   0.298559   0.003499  -0.218479
+    1SOL     H6    6   0.249290  -0.092871  -0.324330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/394/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040609   0.044023   0.074667
+    0SOL     H3    3  -0.054127  -0.068580   0.039107
+    1SOL     O4    4  -0.110084  -0.119703   0.230713
+    1SOL     H5    5  -0.193243  -0.115441   0.277922
+    1SOL     H6    6  -0.086986  -0.212593   0.231126
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/395/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062473  -0.053144   0.049347
+    0SOL     H3    3   0.043078   0.084936  -0.009617
+    1SOL     O4    4   0.238327  -0.167665  -0.225652
+    1SOL     H5    5   0.304656  -0.226998  -0.260901
+    1SOL     H6    6   0.191648  -0.219890  -0.160414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/396/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078572  -0.005339  -0.054408
+    0SOL     H3    3   0.029348  -0.026420   0.087195
+    1SOL     O4    4  -0.016846  -0.073002   0.263684
+    1SOL     H5    5   0.003959  -0.164145   0.284233
+    1SOL     H6    6  -0.006868  -0.026759   0.346897
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/397/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016039   0.008110   0.094018
+    0SOL     H3    3   0.088311   0.034793  -0.012369
+    1SOL     O4    4  -0.089066  -0.245006  -0.081759
+    1SOL     H5    5  -0.176839  -0.232274  -0.117761
+    1SOL     H6    6  -0.049818  -0.157709  -0.082769
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/398/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023371   0.075142  -0.054495
+    0SOL     H3    3  -0.019708   0.028102   0.089354
+    1SOL     O4    4   0.182366  -0.300393  -0.118286
+    1SOL     H5    5   0.241712  -0.373321  -0.136222
+    1SOL     H6    6   0.117577  -0.336498  -0.057778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/399/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082689   0.033191   0.034975
+    0SOL     H3    3  -0.022897  -0.035931  -0.085715
+    1SOL     O4    4  -0.220670   0.088529   0.152554
+    1SOL     H5    5  -0.288237   0.038188   0.197973
+    1SOL     H6    6  -0.267674   0.162464   0.113999
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/400/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084133  -0.027144  -0.036704
+    0SOL     H3    3   0.004331   0.095605   0.001811
+    1SOL     O4    4  -0.156309   0.116736   0.324468
+    1SOL     H5    5  -0.072962   0.137072   0.282018
+    1SOL     H6    6  -0.132075   0.065583   0.401659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/401/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005864  -0.036032  -0.088485
+    0SOL     H3    3   0.043848  -0.064729   0.055225
+    1SOL     O4    4   0.188174   0.208644  -0.007794
+    1SOL     H5    5   0.249331   0.154570   0.042187
+    1SOL     H6    6   0.109911   0.154276  -0.016811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/402/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032708   0.086211   0.025693
+    0SOL     H3    3   0.047755   0.015746  -0.081448
+    1SOL     O4    4  -0.222889  -0.139266   0.069296
+    1SOL     H5    5  -0.201832  -0.166949   0.158473
+    1SOL     H6    6  -0.151583  -0.080196   0.045036
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/403/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003216  -0.095518   0.005320
+    0SOL     H3    3   0.009649   0.019179  -0.093281
+    1SOL     O4    4  -0.147964  -0.251036  -0.192121
+    1SOL     H5    5  -0.137430  -0.298508  -0.274569
+    1SOL     H6    6  -0.108674  -0.308316  -0.126259
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/404/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070712   0.020823  -0.061062
+    0SOL     H3    3   0.029672  -0.087081  -0.026436
+    1SOL     O4    4   0.114958  -0.238765  -0.052401
+    1SOL     H5    5   0.150920  -0.221162   0.034543
+    1SOL     H6    6   0.188371  -0.224346  -0.112107
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/405/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086012   0.034660   0.023726
+    0SOL     H3    3  -0.000481  -0.001961  -0.095699
+    1SOL     O4    4   0.258178   0.082493   0.041863
+    1SOL     H5    5   0.263304   0.154248  -0.021282
+    1SOL     H6    6   0.166343   0.055554   0.040175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/406/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019812   0.082285   0.044710
+    0SOL     H3    3   0.084668  -0.030671  -0.032449
+    1SOL     O4    4   0.275346  -0.027726  -0.110652
+    1SOL     H5    5   0.325145  -0.109403  -0.107299
+    1SOL     H6    6   0.251172  -0.018121  -0.202770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/407/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081469  -0.042424  -0.026931
+    0SOL     H3    3  -0.055999  -0.004182  -0.077517
+    1SOL     O4    4  -0.253295  -0.049638  -0.137934
+    1SOL     H5    5  -0.311758   0.018998  -0.105788
+    1SOL     H6    6  -0.285145  -0.068938  -0.226112
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/408/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024302   0.082485   0.042047
+    0SOL     H3    3  -0.095552  -0.002329   0.005162
+    1SOL     O4    4   0.111843  -0.193139   0.141007
+    1SOL     H5    5   0.096550  -0.111336   0.093714
+    1SOL     H6    6   0.168841  -0.168458   0.213838
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/409/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035523   0.087647   0.014779
+    0SOL     H3    3   0.075383  -0.052095  -0.027674
+    1SOL     O4    4   0.214717  -0.149298  -0.079234
+    1SOL     H5    5   0.260466  -0.071269  -0.110551
+    1SOL     H6    6   0.220436  -0.211277  -0.151954
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/410/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094106  -0.008258  -0.015432
+    0SOL     H3    3  -0.039666  -0.064566  -0.058482
+    1SOL     O4    4  -0.156359  -0.213973  -0.127181
+    1SOL     H5    5  -0.195578  -0.210930  -0.214445
+    1SOL     H6    6  -0.221851  -0.257935  -0.072955
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/411/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018536   0.065298   0.067490
+    0SOL     H3    3  -0.086009  -0.034912   0.023364
+    1SOL     O4    4   0.099656   0.047811  -0.241144
+    1SOL     H5    5   0.047058   0.120199  -0.275142
+    1SOL     H6    6   0.065841   0.032983  -0.152832
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/412/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059462  -0.045190  -0.059871
+    0SOL     H3    3  -0.007685  -0.058814   0.075128
+    1SOL     O4    4  -0.146191  -0.338992  -0.047428
+    1SOL     H5    5  -0.153651  -0.355955   0.046481
+    1SOL     H6    6  -0.057640  -0.304409  -0.058609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/413/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049353  -0.039035  -0.072131
+    0SOL     H3    3  -0.025108   0.086579  -0.032187
+    1SOL     O4    4  -0.261203   0.209051   0.086492
+    1SOL     H5    5  -0.198162   0.250539   0.145372
+    1SOL     H6    6  -0.342258   0.258253   0.099593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/414/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030912   0.026160  -0.086732
+    0SOL     H3    3  -0.035426   0.066405   0.059141
+    1SOL     O4    4   0.246393  -0.052770   0.086200
+    1SOL     H5    5   0.223149  -0.020381   0.173223
+    1SOL     H6    6   0.171815  -0.029086   0.031067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/415/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016563   0.075949   0.055855
+    0SOL     H3    3   0.055879  -0.068889   0.035975
+    1SOL     O4    4   0.031197   0.110251  -0.253387
+    1SOL     H5    5  -0.008873   0.197059  -0.248788
+    1SOL     H6    6   0.027928   0.077519  -0.163497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/416/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082901  -0.033118   0.034538
+    0SOL     H3    3   0.067106  -0.046814   0.049675
+    1SOL     O4    4   0.057757  -0.075353  -0.254494
+    1SOL     H5    5   0.137549  -0.120952  -0.281259
+    1SOL     H6    6   0.061482  -0.074598  -0.158850
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/417/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079092  -0.010896  -0.052802
+    0SOL     H3    3  -0.060973   0.046372  -0.057396
+    1SOL     O4    4  -0.081952  -0.063243   0.235037
+    1SOL     H5    5  -0.160720  -0.013491   0.257006
+    1SOL     H6    6  -0.063826  -0.040454   0.143853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/418/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071241  -0.009253   0.063257
+    0SOL     H3    3   0.071053  -0.053126   0.035936
+    1SOL     O4    4  -0.350733  -0.063031  -0.081945
+    1SOL     H5    5  -0.309329  -0.005002  -0.145824
+    1SOL     H6    6  -0.322452  -0.150854  -0.107434
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/419/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062768  -0.026282   0.067318
+    0SOL     H3    3   0.081710  -0.042970   0.025287
+    1SOL     O4    4   0.166709   0.204530   0.174981
+    1SOL     H5    5   0.203954   0.116639   0.182067
+    1SOL     H6    6   0.075520   0.189991   0.149771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/420/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095217  -0.002500   0.009477
+    0SOL     H3    3  -0.027224  -0.091501   0.006986
+    1SOL     O4    4   0.284863  -0.019752   0.005747
+    1SOL     H5    5   0.296487   0.055876   0.063259
+    1SOL     H6    6   0.327321   0.005659  -0.076192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/421/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002326  -0.036947   0.088271
+    0SOL     H3    3   0.086029  -0.024556  -0.034035
+    1SOL     O4    4   0.278642  -0.031040  -0.074911
+    1SOL     H5    5   0.313330  -0.055314  -0.160759
+    1SOL     H6    6   0.327671  -0.085171  -0.013037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/422/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031364  -0.000278   0.090435
+    0SOL     H3    3   0.066967   0.048245  -0.048478
+    1SOL     O4    4   0.116479   0.215138  -0.125067
+    1SOL     H5    5   0.176556   0.260710  -0.184028
+    1SOL     H6    6   0.045880   0.277884  -0.109544
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/423/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004511  -0.036249   0.088476
+    0SOL     H3    3   0.063490   0.071338   0.006501
+    1SOL     O4    4   0.188252   0.193269  -0.039480
+    1SOL     H5    5   0.167528   0.216013  -0.130120
+    1SOL     H6    6   0.229584   0.271912  -0.003853
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/424/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059308   0.074808  -0.006971
+    0SOL     H3    3  -0.026477  -0.044180   0.080681
+    1SOL     O4    4   0.273019   0.116851   0.101452
+    1SOL     H5    5   0.362066   0.099801   0.132148
+    1SOL     H6    6   0.235857   0.029974   0.086167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/425/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075207   0.005253  -0.058980
+    0SOL     H3    3  -0.051087   0.078640  -0.019191
+    1SOL     O4    4   0.165862   0.275326   0.057297
+    1SOL     H5    5   0.093642   0.326991   0.093036
+    1SOL     H6    6   0.184207   0.209883   0.124699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/426/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048506  -0.079313   0.022780
+    0SOL     H3    3  -0.066174  -0.029477  -0.062566
+    1SOL     O4    4  -0.276228  -0.105353   0.163929
+    1SOL     H5    5  -0.290264  -0.026977   0.110801
+    1SOL     H6    6  -0.353272  -0.159687   0.147365
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/427/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031052  -0.047697   0.076961
+    0SOL     H3    3  -0.031605  -0.051286  -0.074385
+    1SOL     O4    4  -0.068297  -0.108468  -0.250374
+    1SOL     H5    5  -0.147145  -0.071114  -0.289744
+    1SOL     H6    6   0.003961  -0.068218  -0.298550
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/428/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004902   0.056072   0.077423
+    0SOL     H3    3  -0.065271  -0.066306   0.022483
+    1SOL     O4    4  -0.101285  -0.192025  -0.223677
+    1SOL     H5    5  -0.063551  -0.234515  -0.300703
+    1SOL     H6    6  -0.181991  -0.240578  -0.206607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/429/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.029963  -0.083857   0.035109
+    0SOL     H3    3  -0.023958   0.064012   0.067014
+    1SOL     O4    4   0.069874   0.085799  -0.262072
+    1SOL     H5    5   0.039859   0.078906  -0.171441
+    1SOL     H6    6   0.057295   0.177982  -0.284573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/430/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039621  -0.072992   0.047588
+    0SOL     H3    3  -0.038393  -0.004770  -0.087553
+    1SOL     O4    4  -0.140447  -0.214491   0.112719
+    1SOL     H5    5  -0.233447  -0.218442   0.090411
+    1SOL     H6    6  -0.132494  -0.267612   0.191947
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/431/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000683  -0.017968  -0.094016
+    0SOL     H3    3   0.091570   0.017415   0.021770
+    1SOL     O4    4  -0.178122  -0.245065  -0.155417
+    1SOL     H5    5  -0.262816  -0.276675  -0.123953
+    1SOL     H6    6  -0.138619  -0.320957  -0.198338
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/432/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046524   0.055745   0.062372
+    0SOL     H3    3   0.000367  -0.086759   0.040437
+    1SOL     O4    4   0.103423   0.046823  -0.257886
+    1SOL     H5    5   0.078347   0.030174  -0.167021
+    1SOL     H6    6   0.062898  -0.024373  -0.307395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/433/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091075   0.007722   0.028426
+    0SOL     H3    3   0.004544   0.051842  -0.080337
+    1SOL     O4    4   0.119315   0.146558  -0.204157
+    1SOL     H5    5   0.073743   0.229054  -0.187427
+    1SOL     H6    6   0.071473   0.107067  -0.277054
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076839  -0.007910  -0.056529
+    0SOL     H3    3  -0.059363  -0.068637  -0.030451
+    1SOL     O4    4  -0.114308   0.248543  -0.104296
+    1SOL     H5    5  -0.206271   0.251346  -0.077890
+    1SOL     H6    6  -0.078595   0.172264  -0.058815
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031755  -0.001162   0.090292
+    0SOL     H3    3   0.008168   0.091428  -0.027137
+    1SOL     O4    4   0.144466  -0.162019  -0.161146
+    1SOL     H5    5   0.080345  -0.233028  -0.158225
+    1SOL     H6    6   0.106361  -0.093026  -0.106828
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/436/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071426  -0.063003  -0.009550
+    0SOL     H3    3  -0.026653   0.074782  -0.053475
+    1SOL     O4    4  -0.183883  -0.214012  -0.027894
+    1SOL     H5    5  -0.240756  -0.216128   0.049068
+    1SOL     H6    6  -0.243427  -0.224908  -0.102043
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/437/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087415  -0.033844   0.019377
+    0SOL     H3    3   0.000135   0.088751   0.035855
+    1SOL     O4    4   0.263586  -0.111209   0.077299
+    1SOL     H5    5   0.234226  -0.171690   0.145434
+    1SOL     H6    6   0.289180  -0.167748   0.004425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/438/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093692   0.012149  -0.015381
+    0SOL     H3    3  -0.040273   0.080604  -0.032302
+    1SOL     O4    4   0.099581  -0.037381  -0.306617
+    1SOL     H5    5   0.175875   0.015344  -0.282918
+    1SOL     H6    6   0.109949  -0.118391  -0.256695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/439/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009878   0.032630  -0.089443
+    0SOL     H3    3   0.088379  -0.036673   0.002544
+    1SOL     O4    4  -0.161222   0.014052   0.317121
+    1SOL     H5    5  -0.175190   0.084111   0.253411
+    1SOL     H6    6  -0.092999   0.047702   0.375222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/440/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078523  -0.027812   0.047147
+    0SOL     H3    3   0.049705  -0.080676  -0.013530
+    1SOL     O4    4   0.133031   0.210871   0.085228
+    1SOL     H5    5   0.104568   0.239298   0.172085
+    1SOL     H6    6   0.080885   0.132629   0.067300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/441/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033104   0.082784  -0.034832
+    0SOL     H3    3   0.051541  -0.067156  -0.044675
+    1SOL     O4    4  -0.129266   0.183093  -0.207415
+    1SOL     H5    5  -0.165757   0.222817  -0.128341
+    1SOL     H6    6  -0.155299   0.091124  -0.202278
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/442/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056592   0.035536  -0.068533
+    0SOL     H3    3  -0.078623  -0.028838  -0.046358
+    1SOL     O4    4  -0.253646  -0.044190  -0.077512
+    1SOL     H5    5  -0.279351  -0.130229  -0.110663
+    1SOL     H6    6  -0.321432  -0.021809  -0.013744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/443/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024616   0.047415   0.079424
+    0SOL     H3    3  -0.068426   0.053794  -0.039830
+    1SOL     O4    4  -0.224839  -0.067826   0.323423
+    1SOL     H5    5  -0.160334  -0.138098   0.315476
+    1SOL     H6    6  -0.293288  -0.104311   0.379512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/444/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033479  -0.084474   0.030095
+    0SOL     H3    3  -0.022000  -0.014320  -0.092050
+    1SOL     O4    4   0.221315   0.161280   0.017066
+    1SOL     H5    5   0.136755   0.129160  -0.014242
+    1SOL     H6    6   0.235196   0.242968  -0.030859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/445/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090311   0.011814  -0.029439
+    0SOL     H3    3   0.028373  -0.081372  -0.041665
+    1SOL     O4    4   0.262883   0.225914   0.116870
+    1SOL     H5    5   0.245991   0.307156   0.069155
+    1SOL     H6    6   0.176426   0.196509   0.145555
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/446/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001341  -0.042479   0.085767
+    0SOL     H3    3  -0.035914  -0.065541  -0.059806
+    1SOL     O4    4  -0.148283  -0.207544  -0.139095
+    1SOL     H5    5  -0.236431  -0.170562  -0.134141
+    1SOL     H6    6  -0.145407  -0.251416  -0.224121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/447/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043739   0.056339   0.063836
+    0SOL     H3    3   0.087223   0.038163  -0.009903
+    1SOL     O4    4  -0.221819   0.037064   0.242943
+    1SOL     H5    5  -0.251775   0.053260   0.332400
+    1SOL     H6    6  -0.271285  -0.039835   0.214623
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/448/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002563   0.095474  -0.006365
+    0SOL     H3    3  -0.080503  -0.029078  -0.042850
+    1SOL     O4    4  -0.145358   0.015702   0.237215
+    1SOL     H5    5  -0.128195  -0.015311   0.148299
+    1SOL     H6    6  -0.235672  -0.010676   0.254817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/449/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036578   0.009778  -0.087913
+    0SOL     H3    3   0.007067   0.087230   0.038772
+    1SOL     O4    4   0.037651   0.055741   0.325348
+    1SOL     H5    5  -0.029707   0.000792   0.285275
+    1SOL     H6    6   0.118410   0.031651   0.279961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/450/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067688  -0.033491   0.058813
+    0SOL     H3    3  -0.034296  -0.016371  -0.087853
+    1SOL     O4    4   0.268678  -0.165346   0.063250
+    1SOL     H5    5   0.227660  -0.160692   0.149611
+    1SOL     H6    6   0.346817  -0.218985   0.076655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/451/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089799  -0.032139   0.008103
+    0SOL     H3    3   0.021784  -0.012674  -0.092343
+    1SOL     O4    4   0.043576  -0.274692   0.023010
+    1SOL     H5    5   0.018896  -0.311677   0.107777
+    1SOL     H6    6   0.048668  -0.180378   0.038543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/452/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033388  -0.088196  -0.016400
+    0SOL     H3    3   0.077649   0.051260   0.022481
+    1SOL     O4    4   0.118442  -0.250327  -0.006182
+    1SOL     H5    5   0.094400  -0.342962  -0.007972
+    1SOL     H6    6   0.169854  -0.240421   0.073949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/453/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090587   0.010767  -0.028990
+    0SOL     H3    3  -0.001265   0.024861   0.092426
+    1SOL     O4    4   0.019407   0.099990   0.311166
+    1SOL     H5    5   0.083625   0.166981   0.287700
+    1SOL     H6    6   0.067078   0.017335   0.303555
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/454/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027779   0.004523   0.091489
+    0SOL     H3    3  -0.047537   0.071055  -0.043055
+    1SOL     O4    4  -0.061034  -0.141704   0.243821
+    1SOL     H5    5  -0.117559  -0.145601   0.320970
+    1SOL     H6    6  -0.050786  -0.232999   0.216942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/455/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028779   0.012308   0.090458
+    0SOL     H3    3  -0.080865   0.000670  -0.051213
+    1SOL     O4    4  -0.019564  -0.216893  -0.243186
+    1SOL     H5    5  -0.021668  -0.296767  -0.295893
+    1SOL     H6    6   0.070665  -0.185759  -0.250386
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/456/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068970   0.037963  -0.054445
+    0SOL     H3    3   0.029833   0.014143   0.089846
+    1SOL     O4    4   0.119040   0.046788  -0.243653
+    1SOL     H5    5   0.210039   0.017112  -0.242660
+    1SOL     H6    6   0.079739   0.001191  -0.318075
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/457/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028206  -0.091072   0.008526
+    0SOL     H3    3   0.081460   0.049847  -0.006473
+    1SOL     O4    4   0.186370   0.195985   0.016152
+    1SOL     H5    5   0.250960   0.258591  -0.016572
+    1SOL     H6    6   0.165244   0.227097   0.104175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/458/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091122   0.023247   0.017853
+    0SOL     H3    3  -0.000218  -0.095571  -0.005341
+    1SOL     O4    4  -0.041718   0.126242  -0.246782
+    1SOL     H5    5  -0.091229   0.202995  -0.218148
+    1SOL     H6    6   0.009394   0.100642  -0.170006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/459/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011186  -0.042055  -0.085256
+    0SOL     H3    3   0.030245   0.088438  -0.020648
+    1SOL     O4    4  -0.243129   0.000442   0.113640
+    1SOL     H5    5  -0.156017   0.001199   0.073974
+    1SOL     H6    6  -0.240371  -0.071929   0.176227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/460/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083753  -0.021453   0.041080
+    0SOL     H3    3   0.019269   0.075280  -0.055892
+    1SOL     O4    4  -0.216708  -0.156621   0.165246
+    1SOL     H5    5  -0.266042  -0.194560   0.237972
+    1SOL     H6    6  -0.176498  -0.077913   0.201995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/461/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045419   0.036389   0.075995
+    0SOL     H3    3  -0.064517   0.066660  -0.023588
+    1SOL     O4    4  -0.137224   0.243433  -0.059550
+    1SOL     H5    5  -0.226355   0.211273  -0.045988
+    1SOL     H6    6  -0.129264   0.252767  -0.154480
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/462/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060724   0.068892  -0.026995
+    0SOL     H3    3  -0.016048  -0.010754   0.093750
+    1SOL     O4    4   0.152285   0.152245   0.279862
+    1SOL     H5    5   0.147451   0.061055   0.251169
+    1SOL     H6    6   0.175161   0.147024   0.372661
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/463/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016260  -0.088489  -0.032676
+    0SOL     H3    3  -0.024211   0.057279  -0.072768
+    1SOL     O4    4  -0.377518   0.056357  -0.016115
+    1SOL     H5    5  -0.339175   0.069245   0.070638
+    1SOL     H6    6  -0.362334  -0.036128  -0.035565
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018241  -0.040476   0.084801
+    0SOL     H3    3  -0.020497  -0.073517  -0.057770
+    1SOL     O4    4  -0.038772  -0.233864  -0.166020
+    1SOL     H5    5   0.013616  -0.261541  -0.241198
+    1SOL     H6    6  -0.127186  -0.264832  -0.185673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/465/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027013  -0.000268   0.091829
+    0SOL     H3    3   0.082008   0.004877  -0.049125
+    1SOL     O4    4  -0.033804   0.272478  -0.069103
+    1SOL     H5    5   0.025424   0.312851  -0.005666
+    1SOL     H6    6  -0.075555   0.201093  -0.020903
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/466/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024700  -0.073828  -0.055692
+    0SOL     H3    3   0.095571  -0.003739   0.003817
+    1SOL     O4    4   0.000546  -0.111934   0.236502
+    1SOL     H5    5   0.082677  -0.160182   0.227072
+    1SOL     H6    6  -0.006457  -0.060522   0.156065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/467/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052645  -0.064069  -0.047812
+    0SOL     H3    3  -0.080356  -0.046921   0.022442
+    1SOL     O4    4   0.163378  -0.249344   0.182643
+    1SOL     H5    5   0.255705  -0.256093   0.206984
+    1SOL     H6    6   0.164110  -0.243538   0.087102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/468/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053979  -0.019703   0.076553
+    0SOL     H3    3  -0.089519  -0.018616   0.028322
+    1SOL     O4    4   0.264047   0.009804  -0.228793
+    1SOL     H5    5   0.298442  -0.077159  -0.208379
+    1SOL     H6    6   0.287117   0.063191  -0.152767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/469/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087191   0.033346   0.021170
+    0SOL     H3    3   0.058430   0.074296   0.015112
+    1SOL     O4    4  -0.217198   0.148296   0.017944
+    1SOL     H5    5  -0.225325   0.201385  -0.061289
+    1SOL     H6    6  -0.275113   0.073599   0.002828
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/470/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064559  -0.024886  -0.066145
+    0SOL     H3    3  -0.024992  -0.049773   0.077848
+    1SOL     O4    4   0.051401  -0.216513  -0.234257
+    1SOL     H5    5  -0.028871  -0.164724  -0.240307
+    1SOL     H6    6   0.060754  -0.235466  -0.140900
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/471/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001157   0.070024  -0.065251
+    0SOL     H3    3   0.079389   0.016042   0.051013
+    1SOL     O4    4   0.130426   0.323529  -0.035569
+    1SOL     H5    5   0.194938   0.381473  -0.076103
+    1SOL     H6    6   0.148975   0.237269  -0.072685
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/472/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049593  -0.020880   0.079163
+    0SOL     H3    3   0.066339   0.027280  -0.063382
+    1SOL     O4    4   0.142697   0.246453  -0.288354
+    1SOL     H5    5   0.128265   0.268806  -0.380302
+    1SOL     H6    6   0.216741   0.300965  -0.261741
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/473/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011274   0.080973   0.049785
+    0SOL     H3    3  -0.086513  -0.040953   0.000874
+    1SOL     O4    4  -0.081823   0.264270   0.107266
+    1SOL     H5    5  -0.037668   0.334034   0.155698
+    1SOL     H6    6  -0.148469   0.231573   0.167694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/474/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066920  -0.048656   0.048132
+    0SOL     H3    3   0.041173   0.055829   0.065956
+    1SOL     O4    4  -0.163902   0.155539  -0.202692
+    1SOL     H5    5  -0.104728   0.118260  -0.137340
+    1SOL     H6    6  -0.106611   0.181806  -0.274735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/475/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034931   0.051339   0.072845
+    0SOL     H3    3   0.074890  -0.013219  -0.058130
+    1SOL     O4    4  -0.192260  -0.244815   0.013691
+    1SOL     H5    5  -0.165558  -0.321580   0.064252
+    1SOL     H6    6  -0.110817  -0.197173  -0.002420
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/476/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012629   0.083900   0.044314
+    0SOL     H3    3  -0.088623  -0.030232  -0.019855
+    1SOL     O4    4  -0.209556  -0.148201  -0.108917
+    1SOL     H5    5  -0.294690  -0.111579  -0.084971
+    1SOL     H6    6  -0.192262  -0.113500  -0.196433
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/477/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054522   0.062777  -0.047420
+    0SOL     H3    3  -0.006918  -0.075105  -0.058939
+    1SOL     O4    4  -0.032476  -0.000811   0.277053
+    1SOL     H5    5  -0.029641   0.021126   0.183924
+    1SOL     H6    6  -0.012322   0.081424   0.321703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/478/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055342   0.021065  -0.075205
+    0SOL     H3    3   0.026973   0.085101   0.034533
+    1SOL     O4    4   0.088521   0.226613   0.120689
+    1SOL     H5    5   0.171033   0.187005   0.148711
+    1SOL     H6    6   0.114699   0.305160   0.072653
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/479/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058511   0.068610  -0.032118
+    0SOL     H3    3   0.087631   0.029874  -0.024302
+    1SOL     O4    4  -0.015510  -0.077394   0.252615
+    1SOL     H5    5  -0.032220  -0.056243   0.160769
+    1SOL     H6    6   0.079894  -0.081197   0.259393
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/480/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008572   0.024394  -0.092162
+    0SOL     H3    3   0.055766  -0.077193   0.009680
+    1SOL     O4    4   0.228162   0.193007  -0.150794
+    1SOL     H5    5   0.174786   0.230436  -0.220883
+    1SOL     H6    6   0.175569   0.204766  -0.071687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/481/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082195  -0.049053   0.000237
+    0SOL     H3    3   0.058661  -0.051196   0.055680
+    1SOL     O4    4   0.281174   0.138347  -0.132662
+    1SOL     H5    5   0.281025   0.217549  -0.186414
+    1SOL     H6    6   0.275815   0.066536  -0.195724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/482/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076996   0.055857   0.010675
+    0SOL     H3    3   0.002820  -0.052522   0.079974
+    1SOL     O4    4  -0.043881  -0.167411  -0.201774
+    1SOL     H5    5  -0.013706  -0.107423  -0.133560
+    1SOL     H6    6   0.033322  -0.182533  -0.256303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/483/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021689  -0.063378   0.068375
+    0SOL     H3    3  -0.072639  -0.040101  -0.047726
+    1SOL     O4    4   0.007000   0.170507   0.265352
+    1SOL     H5    5  -0.071049   0.115562   0.258157
+    1SOL     H6    6   0.027606   0.194864   0.175106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/484/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019549  -0.006323  -0.093489
+    0SOL     H3    3   0.069486  -0.050275   0.042502
+    1SOL     O4    4  -0.273756  -0.010979  -0.000751
+    1SOL     H5    5  -0.178531  -0.004199   0.006223
+    1SOL     H6    6  -0.306843   0.063912   0.048835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/485/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009979   0.071552   0.062793
+    0SOL     H3    3   0.040910   0.032555  -0.080180
+    1SOL     O4    4  -0.277724   0.038559  -0.237567
+    1SOL     H5    5  -0.263927   0.091706  -0.159161
+    1SOL     H6    6  -0.191775   0.000904  -0.256464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/486/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044206   0.074803  -0.040158
+    0SOL     H3    3  -0.003033  -0.066066  -0.069198
+    1SOL     O4    4   0.127218   0.287971  -0.006689
+    1SOL     H5    5   0.135376   0.228126   0.067570
+    1SOL     H6    6   0.050772   0.341703   0.014076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/487/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005203   0.079399   0.053207
+    0SOL     H3    3   0.090286  -0.031365  -0.005198
+    1SOL     O4    4  -0.007167   0.205648   0.169675
+    1SOL     H5    5  -0.001690   0.162552   0.254969
+    1SOL     H6    6  -0.098131   0.234751   0.163288
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/488/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090643  -0.026872   0.014966
+    0SOL     H3    3   0.004364   0.095197  -0.008990
+    1SOL     O4    4  -0.375179   0.002651   0.032027
+    1SOL     H5    5  -0.450520   0.050835   0.066150
+    1SOL     H6    6  -0.413331  -0.072246  -0.013768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/489/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056134   0.048777   0.060267
+    0SOL     H3    3  -0.087994   0.033922   0.016390
+    1SOL     O4    4  -0.272888   0.000526   0.064467
+    1SOL     H5    5  -0.328728  -0.046287   0.002396
+    1SOL     H6    6  -0.219306  -0.067778   0.104787
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/490/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049778   0.059310  -0.056274
+    0SOL     H3    3   0.006188  -0.081227  -0.050261
+    1SOL     O4    4  -0.171250  -0.118490   0.188853
+    1SOL     H5    5  -0.247885  -0.148156   0.139766
+    1SOL     H6    6  -0.096973  -0.138935   0.132044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/491/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059478  -0.063457   0.039973
+    0SOL     H3    3  -0.005162   0.076843   0.056840
+    1SOL     O4    4  -0.032641   0.174419   0.216565
+    1SOL     H5    5  -0.006222   0.260653   0.248629
+    1SOL     H6    6  -0.118542   0.159419   0.256042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/492/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070859  -0.064264   0.003373
+    0SOL     H3    3   0.011269   0.028086   0.090810
+    1SOL     O4    4  -0.238420  -0.157693  -0.001301
+    1SOL     H5    5  -0.253343  -0.099178  -0.075569
+    1SOL     H6    6  -0.210842  -0.240309  -0.041004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/493/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038205  -0.072567  -0.049363
+    0SOL     H3    3  -0.075757  -0.038310   0.044222
+    1SOL     O4    4  -0.188132   0.076304  -0.242037
+    1SOL     H5    5  -0.096577   0.086253  -0.215943
+    1SOL     H6    6  -0.235695   0.066695  -0.159528
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/494/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004493  -0.080903  -0.050959
+    0SOL     H3    3  -0.004461  -0.028790   0.091179
+    1SOL     O4    4  -0.298422  -0.061707   0.272979
+    1SOL     H5    5  -0.325914   0.024746   0.303514
+    1SOL     H6    6  -0.356128  -0.080484   0.198954
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/495/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005022  -0.017892   0.093899
+    0SOL     H3    3   0.013245  -0.085890  -0.040122
+    1SOL     O4    4  -0.330098   0.069922   0.101173
+    1SOL     H5    5  -0.288975   0.138015   0.154413
+    1SOL     H6    6  -0.416819   0.104749   0.080466
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/496/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036531   0.062458  -0.062664
+    0SOL     H3    3  -0.075141  -0.051834   0.028799
+    1SOL     O4    4   0.097298  -0.183638  -0.154617
+    1SOL     H5    5   0.087552  -0.119343  -0.084379
+    1SOL     H6    6   0.072887  -0.136228  -0.234108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/497/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018730  -0.014482   0.092746
+    0SOL     H3    3   0.013726  -0.087747  -0.035698
+    1SOL     O4    4  -0.344070   0.107331   0.131811
+    1SOL     H5    5  -0.313774   0.058237   0.208193
+    1SOL     H6    6  -0.290070   0.186361   0.131113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/498/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050995   0.015309  -0.079546
+    0SOL     H3    3   0.026217   0.087408   0.028893
+    1SOL     O4    4  -0.153282  -0.066454   0.209710
+    1SOL     H5    5  -0.102307  -0.063503   0.128746
+    1SOL     H6    6  -0.099338  -0.020056   0.273738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/499/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015129   0.094453   0.003471
+    0SOL     H3    3   0.067611  -0.032975  -0.059192
+    1SOL     O4    4  -0.181287   0.028263  -0.311027
+    1SOL     H5    5  -0.150725  -0.061582  -0.298533
+    1SOL     H6    6  -0.102185   0.081709  -0.304042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/500/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045881  -0.038204  -0.074818
+    0SOL     H3    3  -0.003234   0.094399  -0.015516
+    1SOL     O4    4  -0.153504   0.050713   0.237087
+    1SOL     H5    5  -0.066237   0.022535   0.264527
+    1SOL     H6    6  -0.166474   0.009086   0.151874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/501/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072323   0.061735  -0.010977
+    0SOL     H3    3  -0.058913   0.018816  -0.073058
+    1SOL     O4    4  -0.075736  -0.249171   0.008508
+    1SOL     H5    5  -0.026708  -0.305626   0.068269
+    1SOL     H6    6  -0.030776  -0.164782   0.012904
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/502/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048312  -0.004634   0.082503
+    0SOL     H3    3   0.089883  -0.023049   0.023496
+    1SOL     O4    4   0.007747  -0.043414   0.275925
+    1SOL     H5    5   0.038557   0.014194   0.345885
+    1SOL     H6    6   0.025818  -0.131802   0.307914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/503/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093701   0.017446  -0.008840
+    0SOL     H3    3  -0.008215  -0.094403  -0.013522
+    1SOL     O4    4  -0.164187   0.039233   0.211328
+    1SOL     H5    5  -0.204616   0.122562   0.187160
+    1SOL     H6    6  -0.114104   0.013512   0.133917
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/504/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019696  -0.047197   0.080913
+    0SOL     H3    3  -0.062893   0.072140  -0.001620
+    1SOL     O4    4  -0.005993   0.276591  -0.080297
+    1SOL     H5    5   0.071712   0.263323  -0.134595
+    1SOL     H6    6  -0.073342   0.306096  -0.141583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/505/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003750   0.021157   0.093277
+    0SOL     H3    3  -0.074491   0.050227  -0.033025
+    1SOL     O4    4  -0.166789   0.182211  -0.201834
+    1SOL     H5    5  -0.122108   0.247794  -0.148309
+    1SOL     H6    6  -0.105480   0.163415  -0.272899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/506/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037387   0.074212   0.047509
+    0SOL     H3    3   0.034865   0.008302  -0.088757
+    1SOL     O4    4  -0.270504  -0.057950   0.059186
+    1SOL     H5    5  -0.257519  -0.085349   0.149977
+    1SOL     H6    6  -0.181965  -0.046019   0.024823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/507/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083277   0.015295  -0.044646
+    0SOL     H3    3  -0.030025  -0.084491  -0.033498
+    1SOL     O4    4   0.293927   0.052565  -0.021028
+    1SOL     H5    5   0.310486   0.136719  -0.063527
+    1SOL     H6    6   0.357478  -0.007161  -0.060478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/508/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026673   0.022443  -0.089147
+    0SOL     H3    3  -0.071315  -0.062824  -0.011385
+    1SOL     O4    4  -0.115435   0.224294   0.090144
+    1SOL     H5    5  -0.134511   0.183376   0.174549
+    1SOL     H6    6  -0.061705   0.159980   0.043894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/509/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077574  -0.047915   0.029133
+    0SOL     H3    3  -0.071057  -0.063922   0.005225
+    1SOL     O4    4   0.157182   0.006856  -0.223165
+    1SOL     H5    5   0.222314   0.069929  -0.192473
+    1SOL     H6    6   0.093438   0.001608  -0.151951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/510/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055507   0.033442  -0.070448
+    0SOL     H3    3  -0.089407   0.015178  -0.030632
+    1SOL     O4    4   0.093610  -0.228769   0.104967
+    1SOL     H5    5   0.050281  -0.156535   0.059501
+    1SOL     H6    6   0.171770  -0.246606   0.052667
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/511/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012275   0.045456   0.083339
+    0SOL     H3    3   0.069270  -0.063728   0.017399
+    1SOL     O4    4   0.172136   0.114207  -0.197671
+    1SOL     H5    5   0.223336   0.053315  -0.250896
+    1SOL     H6    6   0.113318   0.058199  -0.147016
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/512/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053442  -0.008869  -0.078915
+    0SOL     H3    3  -0.024854  -0.089692   0.022358
+    1SOL     O4    4   0.224609   0.069714   0.138192
+    1SOL     H5    5   0.131679   0.066776   0.115439
+    1SOL     H6    6   0.226735   0.053700   0.232539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/513/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028673   0.089692   0.017191
+    0SOL     H3    3   0.005202  -0.009038  -0.095150
+    1SOL     O4    4  -0.111623  -0.187932   0.191244
+    1SOL     H5    5  -0.142984  -0.139094   0.115128
+    1SOL     H6    6  -0.030290  -0.144005   0.216098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/514/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092649   0.023765  -0.003703
+    0SOL     H3    3   0.002322  -0.091813  -0.026969
+    1SOL     O4    4   0.080537   0.120787  -0.239053
+    1SOL     H5    5   0.079210   0.216276  -0.232539
+    1SOL     H6    6   0.053686   0.090440  -0.152333
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/515/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069136  -0.066096  -0.003722
+    0SOL     H3    3   0.059320  -0.023271  -0.071428
+    1SOL     O4    4   0.187665  -0.047482  -0.158181
+    1SOL     H5    5   0.239575  -0.098085  -0.095676
+    1SOL     H6    6   0.238571   0.032280  -0.172637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/516/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076938  -0.025355  -0.050990
+    0SOL     H3    3   0.001396  -0.058108   0.076052
+    1SOL     O4    4   0.180086  -0.027989  -0.173428
+    1SOL     H5    5   0.237317  -0.098348  -0.142824
+    1SOL     H6    6   0.225584   0.052477  -0.148581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/517/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028740   0.080233  -0.043577
+    0SOL     H3    3  -0.015924  -0.061715  -0.071415
+    1SOL     O4    4  -0.034603  -0.040960   0.267220
+    1SOL     H5    5   0.005027   0.003622   0.342081
+    1SOL     H6    6  -0.011139   0.013196   0.191861
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/518/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038063  -0.053100  -0.069957
+    0SOL     H3    3   0.092991  -0.022688  -0.000538
+    1SOL     O4    4  -0.072331   0.009727   0.272063
+    1SOL     H5    5  -0.045912   0.013184   0.180126
+    1SOL     H6    6  -0.096682   0.099796   0.293439
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/519/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052721   0.053451  -0.059378
+    0SOL     H3    3  -0.063109  -0.058210   0.042322
+    1SOL     O4    4  -0.169731  -0.179597   0.110040
+    1SOL     H5    5  -0.164423  -0.274464   0.098446
+    1SOL     H6    6  -0.259284  -0.157289   0.084645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/520/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080324   0.049358   0.016558
+    0SOL     H3    3   0.011263  -0.081359   0.049155
+    1SOL     O4    4   0.023104  -0.209866  -0.312253
+    1SOL     H5    5   0.113994  -0.194209  -0.286639
+    1SOL     H6    6   0.011101  -0.157405  -0.391411
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/521/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046105  -0.013085   0.082858
+    0SOL     H3    3   0.060851   0.071792   0.017474
+    1SOL     O4    4  -0.222864   0.151577  -0.101258
+    1SOL     H5    5  -0.173097   0.202591  -0.165157
+    1SOL     H6    6  -0.160546   0.086685  -0.068580
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/522/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065521  -0.055829  -0.041862
+    0SOL     H3    3  -0.050568   0.071447   0.038736
+    1SOL     O4    4  -0.008286   0.085636  -0.354746
+    1SOL     H5    5  -0.012073   0.152854  -0.422789
+    1SOL     H6    6  -0.099334   0.073673  -0.327737
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/523/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048598   0.041621  -0.071191
+    0SOL     H3    3  -0.064851   0.065347   0.026202
+    1SOL     O4    4  -0.061569  -0.265042  -0.091607
+    1SOL     H5    5  -0.025035  -0.177110  -0.081833
+    1SOL     H6    6  -0.007126  -0.306334  -0.158640
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/524/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036403   0.086778  -0.017514
+    0SOL     H3    3   0.076544  -0.056767   0.008990
+    1SOL     O4    4  -0.093233  -0.266953  -0.116042
+    1SOL     H5    5  -0.046442  -0.297906  -0.038487
+    1SOL     H6    6  -0.109962  -0.346127  -0.167168
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/525/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074619   0.041318  -0.043442
+    0SOL     H3    3  -0.029874  -0.015296   0.089643
+    1SOL     O4    4   0.166940  -0.176267  -0.146880
+    1SOL     H5    5   0.136816  -0.144939  -0.232165
+    1SOL     H6    6   0.112134  -0.129910  -0.083559
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/526/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030692   0.083912  -0.034338
+    0SOL     H3    3  -0.095243   0.003894  -0.008715
+    1SOL     O4    4  -0.250686  -0.111972  -0.153967
+    1SOL     H5    5  -0.276606  -0.058085  -0.228711
+    1SOL     H6    6  -0.322638  -0.102615  -0.091535
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/527/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092217  -0.012601   0.022349
+    0SOL     H3    3  -0.020143  -0.071718  -0.060110
+    1SOL     O4    4   0.273446   0.000775   0.094468
+    1SOL     H5    5   0.328465  -0.074940   0.114532
+    1SOL     H6    6   0.269380   0.049903   0.176519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/528/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026344   0.086728  -0.030767
+    0SOL     H3    3   0.031056  -0.059982  -0.067824
+    1SOL     O4    4  -0.277954  -0.052432  -0.069490
+    1SOL     H5    5  -0.300358   0.014936  -0.005287
+    1SOL     H6    6  -0.185290  -0.070626  -0.053842
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/529/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048814  -0.075171   0.033599
+    0SOL     H3    3   0.066808   0.066491  -0.016672
+    1SOL     O4    4   0.039948  -0.053904   0.324740
+    1SOL     H5    5   0.001870   0.018007   0.274330
+    1SOL     H6    6   0.014245  -0.132851   0.277105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/530/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078534   0.049999   0.022243
+    0SOL     H3    3   0.032356  -0.073756  -0.051724
+    1SOL     O4    4   0.180917   0.110058   0.188343
+    1SOL     H5    5   0.269209   0.142192   0.170058
+    1SOL     H6    6   0.178885   0.098190   0.283303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/531/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094364  -0.010407  -0.012224
+    0SOL     H3    3  -0.035074   0.006993  -0.088787
+    1SOL     O4    4  -0.086227   0.017499  -0.280236
+    1SOL     H5    5  -0.180517   0.021122  -0.296317
+    1SOL     H6    6  -0.058499  -0.065650  -0.318703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/532/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067224   0.068042  -0.003661
+    0SOL     H3    3  -0.043683   0.004822  -0.085035
+    1SOL     O4    4   0.102978  -0.188587   0.245901
+    1SOL     H5    5   0.156402  -0.136352   0.186070
+    1SOL     H6    6   0.160154  -0.260611   0.272468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/533/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091837  -0.020767  -0.017234
+    0SOL     H3    3  -0.045631  -0.083654  -0.009064
+    1SOL     O4    4  -0.107427  -0.272127   0.022100
+    1SOL     H5    5  -0.187061  -0.288250  -0.028505
+    1SOL     H6    6  -0.042284  -0.330797  -0.016325
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/534/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031381   0.018761  -0.088462
+    0SOL     H3    3   0.093583  -0.016951  -0.010825
+    1SOL     O4    4   0.267184  -0.042857  -0.040013
+    1SOL     H5    5   0.293207  -0.001417  -0.122280
+    1SOL     H6    6   0.319437  -0.122951  -0.035906
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/535/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038871  -0.016933  -0.085817
+    0SOL     H3    3   0.058928  -0.043034   0.061951
+    1SOL     O4    4  -0.253929  -0.011104  -0.076493
+    1SOL     H5    5  -0.227729   0.048019  -0.147065
+    1SOL     H6    6  -0.175976  -0.018843  -0.021486
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/536/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027301   0.066873   0.062809
+    0SOL     H3    3   0.002064   0.045543  -0.084166
+    1SOL     O4    4  -0.006251   0.208288  -0.186016
+    1SOL     H5    5  -0.092779   0.215252  -0.226349
+    1SOL     H6    6   0.004275   0.290133  -0.137509
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/537/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037408   0.085888  -0.019654
+    0SOL     H3    3  -0.075089  -0.053623   0.025465
+    1SOL     O4    4   0.186832   0.159709  -0.209035
+    1SOL     H5    5   0.175233   0.151420  -0.114383
+    1SOL     H6    6   0.177906   0.253456  -0.226188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/538/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095263  -0.005651   0.007444
+    0SOL     H3    3   0.023688  -0.071164  -0.059472
+    1SOL     O4    4   0.011338   0.256057  -0.092175
+    1SOL     H5    5   0.065173   0.303223  -0.028617
+    1SOL     H6    6   0.016682   0.164468  -0.064877
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/539/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038096   0.022960   0.084758
+    0SOL     H3    3   0.085912   0.042207   0.000078
+    1SOL     O4    4  -0.045420  -0.276568  -0.140225
+    1SOL     H5    5  -0.039152  -0.369127  -0.116649
+    1SOL     H6    6  -0.054130  -0.276620  -0.235548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/540/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024032  -0.063289   0.067670
+    0SOL     H3    3  -0.083545   0.028164  -0.037274
+    1SOL     O4    4  -0.263406   0.027936   0.194364
+    1SOL     H5    5  -0.229172  -0.060578   0.181886
+    1SOL     H6    6  -0.327712   0.038891   0.124314
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/541/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093799   0.004407  -0.018564
+    0SOL     H3    3   0.022358   0.087558   0.031561
+    1SOL     O4    4   0.136575  -0.228521  -0.273718
+    1SOL     H5    5   0.049150  -0.210742  -0.308405
+    1SOL     H6    6   0.180772  -0.276741  -0.343602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/542/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026766   0.026221  -0.088081
+    0SOL     H3    3  -0.081479   0.047770   0.015541
+    1SOL     O4    4   0.317378  -0.115916   0.091952
+    1SOL     H5    5   0.387242  -0.180036   0.078914
+    1SOL     H6    6   0.239259  -0.168621   0.108743
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/543/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063714   0.018847  -0.068903
+    0SOL     H3    3  -0.061915   0.072890  -0.003975
+    1SOL     O4    4   0.180842   0.062073   0.186341
+    1SOL     H5    5   0.127691   0.051451   0.107446
+    1SOL     H6    6   0.133622   0.126944   0.238536
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/544/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073840   0.060744   0.004497
+    0SOL     H3    3   0.048895   0.027365  -0.077606
+    1SOL     O4    4  -0.027498   0.294283  -0.168579
+    1SOL     H5    5  -0.045940   0.366885  -0.108988
+    1SOL     H6    6   0.067644   0.284251  -0.165462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/545/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024798   0.018935  -0.090492
+    0SOL     H3    3  -0.066051   0.044787   0.052856
+    1SOL     O4    4  -0.033111   0.030942  -0.256729
+    1SOL     H5    5  -0.020995   0.124632  -0.241311
+    1SOL     H6    6   0.001120   0.016513  -0.344946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/546/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003406  -0.010779  -0.095050
+    0SOL     H3    3  -0.013792  -0.088153   0.034658
+    1SOL     O4    4   0.044469  -0.031602  -0.265287
+    1SOL     H5    5   0.138458  -0.015467  -0.257047
+    1SOL     H6    6   0.006804   0.054562  -0.283160
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/547/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088143   0.031771   0.019588
+    0SOL     H3    3   0.013670  -0.072989  -0.060399
+    1SOL     O4    4   0.026846  -0.201749  -0.165183
+    1SOL     H5    5   0.096462  -0.226578  -0.226005
+    1SOL     H6    6  -0.051374  -0.194548  -0.219883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/548/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009000  -0.042079  -0.085502
+    0SOL     H3    3  -0.020477  -0.069078   0.063018
+    1SOL     O4    4   0.287595   0.051535  -0.036288
+    1SOL     H5    5   0.330823  -0.026464  -0.001505
+    1SOL     H6    6   0.195512   0.040524  -0.012583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/549/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074271   0.044000  -0.041354
+    0SOL     H3    3   0.006111  -0.090699  -0.029979
+    1SOL     O4    4  -0.055668   0.025719   0.275331
+    1SOL     H5    5   0.039501   0.021069   0.284473
+    1SOL     H6    6  -0.071980   0.004974   0.183321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/550/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084911  -0.010904   0.042820
+    0SOL     H3    3  -0.054221  -0.070188   0.036001
+    1SOL     O4    4   0.106527   0.135649  -0.229545
+    1SOL     H5    5   0.200382   0.134597  -0.248318
+    1SOL     H6    6   0.096445   0.077332  -0.154314
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/551/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030542  -0.084079   0.034062
+    0SOL     H3    3   0.057186   0.064778   0.041181
+    1SOL     O4    4  -0.078181   0.168728  -0.221329
+    1SOL     H5    5  -0.048787   0.102514  -0.158767
+    1SOL     H6    6  -0.152422   0.128160  -0.266103
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/552/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074553  -0.022970   0.055466
+    0SOL     H3    3   0.017057   0.090244  -0.026970
+    1SOL     O4    4   0.177035  -0.090014   0.209920
+    1SOL     H5    5   0.185778  -0.025973   0.280521
+    1SOL     H6    6   0.265850  -0.100342   0.175751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/553/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063650   0.060092  -0.038728
+    0SOL     H3    3   0.003045   0.024585   0.092459
+    1SOL     O4    4   0.271455   0.133528  -0.092669
+    1SOL     H5    5   0.221266   0.084341  -0.157662
+    1SOL     H6    6   0.352056   0.158036  -0.138113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/554/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015784  -0.015173  -0.093182
+    0SOL     H3    3  -0.049302  -0.076822   0.028810
+    1SOL     O4    4   0.216347  -0.163787   0.230399
+    1SOL     H5    5   0.154404  -0.201533   0.292854
+    1SOL     H6    6   0.291334  -0.137601   0.283818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/555/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022077   0.002937  -0.093093
+    0SOL     H3    3   0.057360   0.075440   0.013453
+    1SOL     O4    4  -0.200983   0.117466   0.173693
+    1SOL     H5    5  -0.133242   0.057243   0.142923
+    1SOL     H6    6  -0.263038   0.122940   0.101019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/556/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055872  -0.060700   0.048540
+    0SOL     H3    3   0.055646   0.032446  -0.070803
+    1SOL     O4    4   0.080322   0.151521  -0.211521
+    1SOL     H5    5   0.174178   0.162845  -0.226521
+    1SOL     H6    6   0.044507   0.240198  -0.215529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/557/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018330  -0.048375   0.080537
+    0SOL     H3    3  -0.062260   0.067762   0.026349
+    1SOL     O4    4   0.200075   0.015233  -0.174979
+    1SOL     H5    5   0.133493  -0.009267  -0.110722
+    1SOL     H6    6   0.228321  -0.067879  -0.213150
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/558/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015358  -0.092426  -0.019593
+    0SOL     H3    3   0.057276   0.018598   0.074403
+    1SOL     O4    4  -0.218100   0.139771  -0.033134
+    1SOL     H5    5  -0.266629   0.120808  -0.113431
+    1SOL     H6    6  -0.145481   0.077414  -0.033688
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/559/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012946  -0.031035  -0.089619
+    0SOL     H3    3   0.068437   0.066524  -0.007292
+    1SOL     O4    4   0.088377  -0.152321   0.217922
+    1SOL     H5    5   0.025309  -0.192980   0.277349
+    1SOL     H6    6   0.034821  -0.115331   0.147738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/560/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008480  -0.029018  -0.090820
+    0SOL     H3    3  -0.093099   0.019718   0.010300
+    1SOL     O4    4  -0.287846   0.051007  -0.130223
+    1SOL     H5    5  -0.255231   0.140805  -0.124312
+    1SOL     H6    6  -0.382871   0.059422  -0.122368
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/561/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055265  -0.051690   0.058620
+    0SOL     H3    3   0.057223   0.022387  -0.073394
+    1SOL     O4    4  -0.175746  -0.066971   0.239597
+    1SOL     H5    5  -0.177605  -0.151695   0.195093
+    1SOL     H6    6  -0.087107  -0.060470   0.275138
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/562/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025980  -0.043682   0.081113
+    0SOL     H3    3  -0.077347   0.051052   0.023947
+    1SOL     O4    4  -0.132500  -0.230816  -0.113457
+    1SOL     H5    5  -0.166937  -0.191246  -0.193523
+    1SOL     H6    6  -0.079109  -0.162017  -0.073728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/563/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081794  -0.022590  -0.044291
+    0SOL     H3    3   0.019414   0.081615   0.046092
+    1SOL     O4    4  -0.137353   0.156125  -0.193665
+    1SOL     H5    5  -0.224519   0.135763  -0.227573
+    1SOL     H6    6  -0.102710   0.071842  -0.164364
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/564/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010706  -0.095115   0.000918
+    0SOL     H3    3   0.058918   0.018226   0.073204
+    1SOL     O4    4   0.304522  -0.046770   0.008045
+    1SOL     H5    5   0.283957   0.032781  -0.041059
+    1SOL     H6    6   0.380006  -0.022918   0.061855
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/565/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090600   0.003408   0.030697
+    0SOL     H3    3  -0.040692  -0.068626   0.052886
+    1SOL     O4    4  -0.086595   0.237822   0.078983
+    1SOL     H5    5  -0.080524   0.146817   0.049941
+    1SOL     H6    6  -0.045944   0.288264   0.008517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/566/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063325  -0.003822  -0.071678
+    0SOL     H3    3   0.019572   0.093185   0.009788
+    1SOL     O4    4   0.251039  -0.147693  -0.122332
+    1SOL     H5    5   0.177513  -0.144240  -0.061140
+    1SOL     H6    6   0.285829  -0.236384  -0.113065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/567/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091525  -0.010983   0.025785
+    0SOL     H3    3   0.047070  -0.067136   0.049391
+    1SOL     O4    4  -0.092466  -0.176331   0.209009
+    1SOL     H5    5  -0.057380  -0.102197   0.258360
+    1SOL     H6    6  -0.052864  -0.253283   0.249902
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/568/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009742   0.094654  -0.010398
+    0SOL     H3    3  -0.032926  -0.011082   0.089193
+    1SOL     O4    4   0.255340  -0.104337   0.008131
+    1SOL     H5    5   0.172666  -0.062029  -0.015048
+    1SOL     H6    6   0.321309  -0.057996  -0.043472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/569/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053500  -0.037418  -0.070000
+    0SOL     H3    3  -0.000760  -0.066433   0.068909
+    1SOL     O4    4  -0.140940  -0.079076  -0.211597
+    1SOL     H5    5  -0.224344  -0.119635  -0.187908
+    1SOL     H6    6  -0.086485  -0.151892  -0.241511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/570/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058652  -0.070384   0.027721
+    0SOL     H3    3  -0.012124  -0.014428  -0.093846
+    1SOL     O4    4   0.137571  -0.222266   0.079758
+    1SOL     H5    5   0.227241  -0.241029   0.052018
+    1SOL     H6    6   0.088858  -0.302019   0.059047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/571/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055377  -0.076621  -0.015000
+    0SOL     H3    3  -0.068813  -0.031252   0.058740
+    1SOL     O4    4   0.085552   0.391207   0.016394
+    1SOL     H5    5   0.008164   0.382007  -0.039184
+    1SOL     H6    6   0.148255   0.439373  -0.037555
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/572/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060477  -0.071634  -0.019327
+    0SOL     H3    3   0.056395   0.076356   0.012319
+    1SOL     O4    4   0.103862  -0.253788  -0.009529
+    1SOL     H5    5   0.189279  -0.278795   0.025698
+    1SOL     H6    6   0.040851  -0.287279   0.054269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/573/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043314  -0.018817  -0.083260
+    0SOL     H3    3   0.045004  -0.081408   0.022576
+    1SOL     O4    4  -0.185920  -0.029665  -0.203953
+    1SOL     H5    5  -0.171327   0.007008  -0.291156
+    1SOL     H6    6  -0.212281  -0.120253  -0.220119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/574/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095133  -0.008984   0.005589
+    0SOL     H3    3   0.013669   0.074721  -0.058244
+    1SOL     O4    4  -0.136705  -0.267772  -0.152865
+    1SOL     H5    5  -0.177822  -0.212498  -0.086407
+    1SOL     H6    6  -0.142669  -0.216697  -0.233600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/575/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082190  -0.037649   0.031459
+    0SOL     H3    3   0.052333  -0.075561  -0.026724
+    1SOL     O4    4   0.173195   0.078164   0.206289
+    1SOL     H5    5   0.109644   0.051551   0.139841
+    1SOL     H6    6   0.153568   0.170404   0.222687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/576/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045073  -0.074907  -0.038984
+    0SOL     H3    3  -0.040045   0.045217  -0.074257
+    1SOL     O4    4   0.113756  -0.217384  -0.101715
+    1SOL     H5    5   0.066192  -0.288177  -0.058261
+    1SOL     H6    6   0.203523  -0.225463  -0.069481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/577/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062462   0.044200  -0.057508
+    0SOL     H3    3  -0.041497  -0.083750   0.020647
+    1SOL     O4    4  -0.112849  -0.231938   0.058154
+    1SOL     H5    5  -0.066944  -0.314683   0.043725
+    1SOL     H6    6  -0.159667  -0.244541   0.140686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/578/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078662  -0.005694   0.054241
+    0SOL     H3    3   0.058479   0.058172   0.048564
+    1SOL     O4    4  -0.276068  -0.041675  -0.108699
+    1SOL     H5    5  -0.300048  -0.132411  -0.127523
+    1SOL     H6    6  -0.189554  -0.031017  -0.148247
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/579/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052279   0.079349  -0.011529
+    0SOL     H3    3  -0.051433   0.016421   0.079040
+    1SOL     O4    4  -0.021949  -0.276317   0.081685
+    1SOL     H5    5  -0.117581  -0.279136   0.084674
+    1SOL     H6    6  -0.001708  -0.192768   0.039588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/580/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023334   0.053742  -0.075694
+    0SOL     H3    3  -0.095169  -0.008811  -0.005246
+    1SOL     O4    4  -0.027812   0.086703   0.266859
+    1SOL     H5    5   0.042934   0.140185   0.302874
+    1SOL     H6    6   0.004713   0.058242   0.181452
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/581/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093968  -0.016646   0.007428
+    0SOL     H3    3   0.040196  -0.086735   0.004870
+    1SOL     O4    4  -0.168063   0.263864   0.041153
+    1SOL     H5    5  -0.261859   0.282951   0.041667
+    1SOL     H6    6  -0.148382   0.242689  -0.050097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/582/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083903  -0.000332  -0.046071
+    0SOL     H3    3  -0.048960  -0.072535  -0.038781
+    1SOL     O4    4  -0.133772   0.257092   0.090011
+    1SOL     H5    5  -0.135120   0.256328   0.185718
+    1SOL     H6    6  -0.116998   0.166092   0.065519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/583/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049214  -0.081629   0.008778
+    0SOL     H3    3   0.067064   0.068220  -0.003293
+    1SOL     O4    4  -0.184122  -0.260510   0.031301
+    1SOL     H5    5  -0.218823  -0.268867   0.120118
+    1SOL     H6    6  -0.089259  -0.255332   0.042988
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/584/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085678  -0.022246   0.036424
+    0SOL     H3    3  -0.015027   0.006748  -0.094292
+    1SOL     O4    4  -0.234612  -0.278652   0.195524
+    1SOL     H5    5  -0.267042  -0.217627   0.261755
+    1SOL     H6    6  -0.311109  -0.298225   0.141418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/585/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033101  -0.089696  -0.004608
+    0SOL     H3    3   0.093631  -0.008007  -0.018207
+    1SOL     O4    4   0.069052  -0.200455  -0.242167
+    1SOL     H5    5   0.100616  -0.114879  -0.271196
+    1SOL     H6    6  -0.026320  -0.193644  -0.246654
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/586/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084847  -0.034108   0.028284
+    0SOL     H3    3  -0.036552  -0.069239  -0.055067
+    1SOL     O4    4  -0.050813  -0.219019  -0.148651
+    1SOL     H5    5   0.029038  -0.189836  -0.192634
+    1SOL     H6    6  -0.116653  -0.222190  -0.218058
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/587/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011203   0.015803   0.093739
+    0SOL     H3    3  -0.092222  -0.023828  -0.009468
+    1SOL     O4    4   0.090164   0.310913  -0.085141
+    1SOL     H5    5   0.156160   0.260528  -0.037516
+    1SOL     H6    6   0.124574   0.400222  -0.086575
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/588/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058528  -0.038671  -0.065125
+    0SOL     H3    3  -0.013083  -0.069332   0.064685
+    1SOL     O4    4   0.065392   0.192594   0.176408
+    1SOL     H5    5   0.062221   0.126898   0.106864
+    1SOL     H6    6  -0.022707   0.192192   0.213835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/589/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022742  -0.091064  -0.018774
+    0SOL     H3    3   0.042917   0.018733   0.083484
+    1SOL     O4    4   0.126642   0.105351   0.223553
+    1SOL     H5    5   0.100704   0.196753   0.211931
+    1SOL     H6    6   0.104814   0.085606   0.314635
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/590/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050986   0.006148   0.080777
+    0SOL     H3    3  -0.018829  -0.093373  -0.009447
+    1SOL     O4    4   0.121844  -0.013503   0.234914
+    1SOL     H5    5   0.158402   0.074756   0.240938
+    1SOL     H6    6   0.051032  -0.014595   0.299309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/591/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014567  -0.061296  -0.072062
+    0SOL     H3    3  -0.085466  -0.024514   0.035453
+    1SOL     O4    4  -0.271872  -0.047394   0.012621
+    1SOL     H5    5  -0.307735  -0.135871   0.005694
+    1SOL     H6    6  -0.321019  -0.007113   0.084205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/592/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070304   0.063089  -0.015475
+    0SOL     H3    3   0.065599   0.048880   0.049698
+    1SOL     O4    4   0.178696   0.164184   0.116694
+    1SOL     H5    5   0.129576   0.245760   0.126434
+    1SOL     H6    6   0.232479   0.177723   0.038678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/593/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040481  -0.055744   0.066454
+    0SOL     H3    3  -0.010180  -0.048807  -0.081710
+    1SOL     O4    4   0.014830  -0.137088  -0.226130
+    1SOL     H5    5   0.033088  -0.143470  -0.319875
+    1SOL     H6    6   0.097140  -0.161695  -0.183919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/594/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010625   0.010526   0.094544
+    0SOL     H3    3  -0.031953   0.085035  -0.030174
+    1SOL     O4    4  -0.256572   0.014639  -0.361599
+    1SOL     H5    5  -0.218742  -0.043228  -0.295397
+    1SOL     H6    6  -0.350938  -0.000103  -0.355260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/595/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037195   0.088186   0.001456
+    0SOL     H3    3   0.064134  -0.052306  -0.048096
+    1SOL     O4    4   0.087697  -0.252230  -0.086348
+    1SOL     H5    5  -0.007909  -0.254515  -0.082270
+    1SOL     H6    6   0.108096  -0.265632  -0.178904
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/596/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084142   0.020526  -0.040756
+    0SOL     H3    3  -0.063574   0.007361  -0.071180
+    1SOL     O4    4  -0.078177   0.338431   0.058723
+    1SOL     H5    5  -0.129192   0.386695  -0.006319
+    1SOL     H6    6  -0.064140   0.401202   0.129611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/597/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008756  -0.026273   0.091626
+    0SOL     H3    3  -0.090046   0.011299  -0.030436
+    1SOL     O4    4  -0.073329  -0.135084   0.227242
+    1SOL     H5    5  -0.019756  -0.214396   0.228599
+    1SOL     H6    6  -0.031399  -0.076716   0.290467
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/598/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000231   0.009744  -0.095223
+    0SOL     H3    3  -0.090110   0.018781   0.026264
+    1SOL     O4    4  -0.193401   0.180178   0.095511
+    1SOL     H5    5  -0.277779   0.182208   0.050360
+    1SOL     H6    6  -0.145456   0.255104   0.060159
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/599/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013839  -0.094242   0.009447
+    0SOL     H3    3  -0.035189   0.020868  -0.086537
+    1SOL     O4    4  -0.060012   0.140851  -0.222494
+    1SOL     H5    5  -0.091614   0.091187  -0.297974
+    1SOL     H6    6   0.034643   0.146644  -0.235501
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/000/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092820   0.010331  -0.020978
+    0SOL     H3    3  -0.045011   0.012359  -0.083568
+    1SOL     O4    4  -0.191050   0.052168  -0.195749
+    1SOL     H5    5  -0.200274   0.147056  -0.187175
+    1SOL     H6    6  -0.271566   0.016723  -0.158025
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/001/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025940  -0.061429  -0.068673
+    0SOL     H3    3  -0.063326  -0.014461   0.070306
+    1SOL     O4    4  -0.042868  -0.202860  -0.176324
+    1SOL     H5    5  -0.134643  -0.228118  -0.186409
+    1SOL     H6    6  -0.008882  -0.199692  -0.265751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/002/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024472   0.074402  -0.055025
+    0SOL     H3    3   0.044600   0.015968   0.083175
+    1SOL     O4    4   0.019918   0.182007  -0.204207
+    1SOL     H5    5   0.113104   0.172024  -0.223674
+    1SOL     H6    6  -0.024230   0.159956  -0.286226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/003/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018666   0.072824   0.059250
+    0SOL     H3    3   0.095361  -0.008179   0.001324
+    1SOL     O4    4   0.052304   0.316168  -0.112817
+    1SOL     H5    5   0.052999   0.260390  -0.190603
+    1SOL     H6    6   0.115243   0.275285  -0.053406
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/004/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072429   0.039240  -0.048751
+    0SOL     H3    3  -0.075895   0.010192  -0.057432
+    1SOL     O4    4   0.018122   0.220408   0.165868
+    1SOL     H5    5  -0.037935   0.226013   0.243253
+    1SOL     H6    6  -0.001878   0.134850   0.127891
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/005/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019598   0.086601  -0.035756
+    0SOL     H3    3  -0.078441   0.013209   0.053243
+    1SOL     O4    4   0.190942  -0.045177   0.178252
+    1SOL     H5    5   0.278032  -0.046739   0.138564
+    1SOL     H6    6   0.130733  -0.053950   0.104358
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/006/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008706   0.094269  -0.014139
+    0SOL     H3    3  -0.064360  -0.020123   0.067936
+    1SOL     O4    4  -0.013296   0.277343  -0.030559
+    1SOL     H5    5  -0.082119   0.306243   0.029362
+    1SOL     H6    6  -0.023627   0.333116  -0.107662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/007/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084750   0.040931  -0.017445
+    0SOL     H3    3   0.047283   0.006414  -0.082979
+    1SOL     O4    4  -0.011781  -0.271143  -0.010457
+    1SOL     H5    5   0.001523  -0.177752   0.005773
+    1SOL     H6    6   0.037056  -0.288720  -0.090883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/008/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087401   0.025328   0.029697
+    0SOL     H3    3  -0.009346  -0.091379  -0.026925
+    1SOL     O4    4   0.182830   0.030285   0.195776
+    1SOL     H5    5   0.191275   0.125288   0.203857
+    1SOL     H6    6   0.118968   0.017752   0.125584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/009/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023395  -0.071982  -0.058597
+    0SOL     H3    3  -0.043564  -0.021143   0.082568
+    1SOL     O4    4  -0.052794  -0.185018  -0.219859
+    1SOL     H5    5  -0.147206  -0.180116  -0.204870
+    1SOL     H6    6  -0.027056  -0.269661  -0.183317
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/010/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093921  -0.007096  -0.017053
+    0SOL     H3    3  -0.039613  -0.067170  -0.055510
+    1SOL     O4    4   0.256003   0.038200  -0.030014
+    1SOL     H5    5   0.285038   0.106049  -0.090972
+    1SOL     H6    6   0.303570   0.056735   0.050956
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/011/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009133  -0.060944  -0.073245
+    0SOL     H3    3  -0.061359  -0.032373   0.065950
+    1SOL     O4    4  -0.040900  -0.158778  -0.212570
+    1SOL     H5    5  -0.133002  -0.134782  -0.202387
+    1SOL     H6    6  -0.011788  -0.110061  -0.289651
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056791   0.030001  -0.070972
+    0SOL     H3    3  -0.018281   0.059958   0.072341
+    1SOL     O4    4  -0.187204   0.066905  -0.173826
+    1SOL     H5    5  -0.268116   0.033266  -0.135302
+    1SOL     H6    6  -0.172894   0.012269  -0.251108
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020152  -0.092951   0.010783
+    0SOL     H3    3  -0.009180   0.036894   0.087846
+    1SOL     O4    4  -0.373743  -0.028102  -0.045228
+    1SOL     H5    5  -0.348712  -0.104670   0.006473
+    1SOL     H6    6  -0.297752  -0.010776  -0.100793
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015315   0.093038  -0.016482
+    0SOL     H3    3  -0.037713  -0.044358  -0.075977
+    1SOL     O4    4  -0.033275   0.275042  -0.028320
+    1SOL     H5    5   0.047089   0.299921   0.017341
+    1SOL     H6    6  -0.101052   0.277689   0.039220
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017704  -0.058876  -0.073366
+    0SOL     H3    3  -0.085406   0.013558   0.041041
+    1SOL     O4    4   0.031207  -0.179112  -0.195708
+    1SOL     H5    5   0.019725  -0.266969  -0.159492
+    1SOL     H6    6  -0.028015  -0.176202  -0.270852
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/016/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060024  -0.001532  -0.074546
+    0SOL     H3    3  -0.055604   0.020508   0.075166
+    1SOL     O4    4  -0.194042   0.030532  -0.191232
+    1SOL     H5    5  -0.186959   0.125760  -0.197850
+    1SOL     H6    6  -0.281103   0.015443  -0.154421
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001065   0.081265  -0.050569
+    0SOL     H3    3   0.029792  -0.066500  -0.062068
+    1SOL     O4    4   0.060450  -0.170016  -0.218275
+    1SOL     H5    5   0.030628  -0.142747  -0.305047
+    1SOL     H6    6   0.034996  -0.262075  -0.211983
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006069   0.095482  -0.002928
+    0SOL     H3    3  -0.061867  -0.017955   0.070799
+    1SOL     O4    4   0.041869  -0.210025  -0.144387
+    1SOL     H5    5   0.019075  -0.122304  -0.113600
+    1SOL     H6    6  -0.016717  -0.225423  -0.218501
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065745   0.027319  -0.063981
+    0SOL     H3    3  -0.021012   0.050027   0.078855
+    1SOL     O4    4   0.249987  -0.029238  -0.055031
+    1SOL     H5    5   0.155873  -0.016136  -0.066574
+    1SOL     H6    6   0.286662  -0.018438  -0.142784
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/020/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082143  -0.020178   0.044808
+    0SOL     H3    3   0.067913  -0.018709   0.064808
+    1SOL     O4    4   0.049547  -0.210271  -0.131892
+    1SOL     H5    5   0.028990  -0.134189  -0.077565
+    1SOL     H6    6   0.145071  -0.210289  -0.138005
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087693  -0.021677   0.031660
+    0SOL     H3    3   0.043631   0.039625   0.075422
+    1SOL     O4    4  -0.112182  -0.190900   0.365637
+    1SOL     H5    5  -0.137724  -0.105781   0.330075
+    1SOL     H6    6  -0.016599  -0.187577   0.369536
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024842  -0.062989  -0.067658
+    0SOL     H3    3   0.045970  -0.029736   0.078516
+    1SOL     O4    4  -0.212873  -0.051862   0.185158
+    1SOL     H5    5  -0.306376  -0.052657   0.164693
+    1SOL     H6    6  -0.171031  -0.020430   0.105011
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006266  -0.050880   0.080835
+    0SOL     H3    3  -0.074260  -0.029466  -0.052721
+    1SOL     O4    4  -0.177519  -0.057085  -0.196397
+    1SOL     H5    5  -0.273117  -0.053339  -0.193326
+    1SOL     H6    6  -0.153844  -0.003868  -0.272355
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001329  -0.055177  -0.078205
+    0SOL     H3    3  -0.039001   0.082702  -0.028313
+    1SOL     O4    4   0.267362  -0.024473   0.021664
+    1SOL     H5    5   0.173255  -0.008477   0.028750
+    1SOL     H6    6   0.297648   0.038900  -0.043366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/025/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018372   0.090338   0.025764
+    0SOL     H3    3   0.014673  -0.051111   0.079591
+    1SOL     O4    4  -0.020498  -0.365689   0.027405
+    1SOL     H5    5  -0.007171  -0.460126   0.035557
+    1SOL     H6    6   0.049094  -0.336631  -0.031543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/026/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095480   0.005394  -0.004092
+    0SOL     H3    3  -0.021792  -0.078384  -0.050432
+    1SOL     O4    4  -0.046461  -0.209761  -0.180329
+    1SOL     H5    5  -0.125323  -0.178207  -0.224460
+    1SOL     H6    6  -0.054594  -0.305121  -0.181925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/027/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018286   0.083704   0.042680
+    0SOL     H3    3  -0.068337  -0.008472  -0.066488
+    1SOL     O4    4  -0.105753   0.113988   0.284778
+    1SOL     H5    5  -0.128183   0.033772   0.331945
+    1SOL     H6    6  -0.182719   0.132504   0.230966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/028/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047853  -0.076240  -0.032554
+    0SOL     H3    3  -0.044435   0.023201   0.081545
+    1SOL     O4    4  -0.194149   0.085171   0.159714
+    1SOL     H5    5  -0.189540   0.177633   0.184041
+    1SOL     H6    6  -0.216818   0.040060   0.241037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/029/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041288   0.056784  -0.065063
+    0SOL     H3    3   0.048259   0.017120   0.080872
+    1SOL     O4    4  -0.252257   0.043258   0.030506
+    1SOL     H5    5  -0.157439   0.030862   0.026251
+    1SOL     H6    6  -0.288616  -0.035950  -0.009075
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/030/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022863   0.081221  -0.045197
+    0SOL     H3    3  -0.095578   0.001412   0.005016
+    1SOL     O4    4  -0.141728   0.136252   0.306899
+    1SOL     H5    5  -0.102692   0.187655   0.236215
+    1SOL     H6    6  -0.083446   0.149992   0.381576
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/031/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021018   0.092439  -0.013248
+    0SOL     H3    3  -0.029814  -0.043108  -0.080095
+    1SOL     O4    4   0.120142   0.099812  -0.358958
+    1SOL     H5    5   0.039399   0.089890  -0.308516
+    1SOL     H6    6   0.140018   0.011494  -0.390056
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/032/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031885  -0.084671  -0.031251
+    0SOL     H3    3  -0.010906   0.052330  -0.079404
+    1SOL     O4    4   0.025280   0.386062   0.004638
+    1SOL     H5    5   0.115018   0.356426   0.019840
+    1SOL     H6    6  -0.021732   0.362208   0.084532
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/033/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030659   0.075955  -0.049530
+    0SOL     H3    3   0.076292  -0.028092   0.050525
+    1SOL     O4    4   0.222542  -0.049826   0.156461
+    1SOL     H5    5   0.216811  -0.145122   0.149524
+    1SOL     H6    6   0.291012  -0.025308   0.094227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/034/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032011   0.063592  -0.063981
+    0SOL     H3    3  -0.043533   0.024203   0.081740
+    1SOL     O4    4   0.128146  -0.329901   0.104764
+    1SOL     H5    5   0.138138  -0.265902   0.175238
+    1SOL     H6    6   0.033983  -0.332354   0.087747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/035/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003379   0.093976   0.017874
+    0SOL     H3    3   0.071977  -0.015392  -0.061194
+    1SOL     O4    4  -0.181859  -0.060162  -0.225174
+    1SOL     H5    5  -0.169027  -0.154864  -0.219769
+    1SOL     H6    6  -0.138184  -0.025546  -0.147350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/036/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014840   0.064261  -0.069373
+    0SOL     H3    3  -0.092671   0.009437   0.022031
+    1SOL     O4    4  -0.278716  -0.027119   0.037120
+    1SOL     H5    5  -0.340111  -0.010399   0.108628
+    1SOL     H6    6  -0.310439  -0.107846  -0.003366
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/037/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015754   0.064344  -0.069094
+    0SOL     H3    3  -0.005946  -0.084671  -0.044247
+    1SOL     O4    4   0.046726  -0.313096   0.124114
+    1SOL     H5    5   0.070655  -0.237839   0.178207
+    1SOL     H6    6   0.116909  -0.319367   0.059326
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/038/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027917   0.091540  -0.001814
+    0SOL     H3    3  -0.071044  -0.004696  -0.063977
+    1SOL     O4    4   0.045029   0.291784  -0.026029
+    1SOL     H5    5  -0.007942   0.308359  -0.104014
+    1SOL     H6    6  -0.001102   0.337276   0.044431
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/039/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081589   0.009347  -0.049175
+    0SOL     H3    3  -0.010682   0.057931   0.075447
+    1SOL     O4    4   0.034041   0.204256   0.186306
+    1SOL     H5    5   0.129255   0.200757   0.195484
+    1SOL     H6    6   0.018398   0.276925   0.125999
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/040/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086567  -0.008524  -0.039948
+    0SOL     H3    3   0.006616   0.077907   0.055217
+    1SOL     O4    4  -0.081352  -0.205393   0.176460
+    1SOL     H5    5  -0.039929  -0.147262   0.112685
+    1SOL     H6    6  -0.031334  -0.192193   0.256998
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/041/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010568   0.090030   0.030744
+    0SOL     H3    3   0.023058  -0.054030   0.075574
+    1SOL     O4    4   0.035183   0.262763   0.025771
+    1SOL     H5    5  -0.040244   0.296025  -0.022878
+    1SOL     H6    6   0.110074   0.280111  -0.031263
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093512   0.016976  -0.011384
+    0SOL     H3    3   0.003688  -0.076519   0.057389
+    1SOL     O4    4  -0.150396  -0.165268  -0.302475
+    1SOL     H5    5  -0.152904  -0.070201  -0.291601
+    1SOL     H6    6  -0.085370  -0.179857  -0.371184
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032175  -0.084421  -0.031626
+    0SOL     H3    3  -0.069931  -0.022439   0.061388
+    1SOL     O4    4   0.191051  -0.006355   0.223422
+    1SOL     H5    5   0.168002   0.079884   0.257975
+    1SOL     H6    6   0.144946  -0.011775   0.139713
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030969  -0.085403  -0.030158
+    0SOL     H3    3  -0.025016   0.046102  -0.080070
+    1SOL     O4    4   0.133948  -0.099760  -0.321602
+    1SOL     H5    5   0.148299  -0.182761  -0.367068
+    1SOL     H6    6   0.147193  -0.032951  -0.388860
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088975   0.027510   0.022112
+    0SOL     H3    3  -0.003150  -0.095638   0.002423
+    1SOL     O4    4  -0.271244   0.018430  -0.004283
+    1SOL     H5    5  -0.273675  -0.062487  -0.055360
+    1SOL     H6    6  -0.294295   0.087047  -0.066915
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058576  -0.034017  -0.067632
+    0SOL     H3    3   0.017989  -0.054210   0.076812
+    1SOL     O4    4  -0.184704  -0.312558  -0.150745
+    1SOL     H5    5  -0.165750  -0.242644  -0.213316
+    1SOL     H6    6  -0.280180  -0.319380  -0.150577
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019820  -0.074279   0.057028
+    0SOL     H3    3   0.068169  -0.002440  -0.067152
+    1SOL     O4    4   0.052181  -0.192847   0.181194
+    1SOL     H5    5   0.070809  -0.286095   0.170236
+    1SOL     H6    6  -0.018558  -0.189914   0.245613
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050338   0.025934   0.077174
+    0SOL     H3    3   0.089407  -0.011177   0.032307
+    1SOL     O4    4  -0.049873  -0.212363  -0.149191
+    1SOL     H5    5  -0.038686  -0.301879  -0.117192
+    1SOL     H6    6  -0.022426  -0.157110  -0.076005
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085285  -0.024359  -0.035992
+    0SOL     H3    3  -0.061064  -0.012039  -0.072723
+    1SOL     O4    4   0.109270  -0.378663  -0.119618
+    1SOL     H5    5   0.142049  -0.434783  -0.189892
+    1SOL     H6    6   0.164001  -0.400292  -0.044127
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/050/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030406  -0.090328  -0.008866
+    0SOL     H3    3   0.031727   0.043860  -0.078943
+    1SOL     O4    4  -0.122267   0.269916   0.151255
+    1SOL     H5    5  -0.110511   0.181762   0.186653
+    1SOL     H6    6  -0.060277   0.275026   0.078498
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/051/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014683   0.094152  -0.009066
+    0SOL     H3    3   0.039918  -0.038153  -0.078187
+    1SOL     O4    4   0.029484   0.287187   0.006621
+    1SOL     H5    5   0.038174   0.341089   0.085243
+    1SOL     H6    6   0.094742   0.322368  -0.053927
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/052/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021796  -0.055921  -0.074566
+    0SOL     H3    3   0.072734  -0.011991   0.061060
+    1SOL     O4    4   0.322882   0.076416  -0.146790
+    1SOL     H5    5   0.313961  -0.003667  -0.095122
+    1SOL     H6    6   0.342029   0.144548  -0.082341
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007298  -0.093774   0.017760
+    0SOL     H3    3   0.093252   0.014149  -0.016316
+    1SOL     O4    4  -0.091806   0.141668   0.204362
+    1SOL     H5    5  -0.187228   0.134765   0.207418
+    1SOL     H6    6  -0.067230   0.098496   0.122541
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/054/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006633  -0.093406   0.019838
+    0SOL     H3    3  -0.081331   0.008241  -0.049797
+    1SOL     O4    4  -0.205162   0.059649  -0.145791
+    1SOL     H5    5  -0.294308   0.053815  -0.111422
+    1SOL     H6    6  -0.199312   0.147865  -0.182479
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015660  -0.092654  -0.018229
+    0SOL     H3    3   0.058499   0.020320   0.072988
+    1SOL     O4    4   0.036719   0.161467  -0.201522
+    1SOL     H5    5  -0.015961   0.139483  -0.278359
+    1SOL     H6    6   0.012862   0.095501  -0.136395
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091555  -0.016693   0.022389
+    0SOL     H3    3  -0.049184  -0.029215   0.076745
+    1SOL     O4    4   0.290741  -0.027278   0.015526
+    1SOL     H5    5   0.323593  -0.100850  -0.036148
+    1SOL     H6    6   0.341634  -0.030233   0.096542
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013459   0.069354   0.064585
+    0SOL     H3    3  -0.084739   0.020243  -0.039646
+    1SOL     O4    4  -0.203333   0.079296  -0.148604
+    1SOL     H5    5  -0.175000   0.163074  -0.185222
+    1SOL     H6    6  -0.195922   0.017561  -0.221379
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005473  -0.054490   0.078506
+    0SOL     H3    3   0.020101   0.087597   0.032940
+    1SOL     O4    4  -0.034033  -0.213780   0.172705
+    1SOL     H5    5   0.022251  -0.236063   0.246853
+    1SOL     H6    6  -0.013422  -0.279573   0.106307
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092698  -0.012536   0.020305
+    0SOL     H3    3   0.003237   0.083399  -0.046866
+    1SOL     O4    4  -0.261211  -0.018016  -0.023718
+    1SOL     H5    5  -0.272907  -0.091452  -0.083989
+    1SOL     H6    6  -0.302419  -0.046977   0.057679
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/060/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026467  -0.080287   0.044897
+    0SOL     H3    3  -0.095633  -0.000663   0.004026
+    1SOL     O4    4   0.206756   0.046545  -0.198926
+    1SOL     H5    5   0.128259   0.033730  -0.145668
+    1SOL     H6    6   0.203390  -0.023654  -0.263911
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024629   0.084484   0.037659
+    0SOL     H3    3   0.003411  -0.059562   0.074854
+    1SOL     O4    4  -0.183338  -0.082330  -0.203281
+    1SOL     H5    5  -0.169823  -0.023540  -0.277601
+    1SOL     H6    6  -0.132624  -0.043168  -0.132170
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055164  -0.036799  -0.069030
+    0SOL     H3    3   0.089124  -0.024493  -0.024888
+    1SOL     O4    4  -0.212381   0.305221  -0.158050
+    1SOL     H5    5  -0.267988   0.290197  -0.081600
+    1SOL     H6    6  -0.225987   0.397421  -0.179875
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012030   0.092560   0.021221
+    0SOL     H3    3   0.009409  -0.045258   0.083818
+    1SOL     O4    4  -0.012197   0.277286  -0.001877
+    1SOL     H5    5   0.010216   0.343110   0.063905
+    1SOL     H6    6   0.048446   0.293871  -0.074055
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047225  -0.053859  -0.063493
+    0SOL     H3    3  -0.052529  -0.005407   0.079836
+    1SOL     O4    4   0.291639   0.001746   0.005239
+    1SOL     H5    5   0.197414   0.010577   0.019589
+    1SOL     H6    6   0.313934   0.074290  -0.053092
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/065/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094275  -0.006284  -0.015335
+    0SOL     H3    3  -0.036101  -0.079288  -0.039653
+    1SOL     O4    4  -0.106990  -0.342486   0.111542
+    1SOL     H5    5  -0.108512  -0.435242   0.135128
+    1SOL     H6    6  -0.173162  -0.334093   0.042889
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091843  -0.023196  -0.013751
+    0SOL     H3    3   0.032457   0.022250  -0.087257
+    1SOL     O4    4  -0.263023  -0.035477  -0.031961
+    1SOL     H5    5  -0.290812  -0.124964  -0.012410
+    1SOL     H6    6  -0.320362  -0.007600  -0.103358
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/067/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065791   0.031112  -0.062177
+    0SOL     H3    3   0.040877  -0.075423   0.042458
+    1SOL     O4    4  -0.271564  -0.025105   0.013687
+    1SOL     H5    5  -0.176799  -0.036994   0.007323
+    1SOL     H6    6  -0.307288  -0.113744   0.008278
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021922   0.077714  -0.051403
+    0SOL     H3    3   0.065041  -0.001465   0.070213
+    1SOL     O4    4   0.379891  -0.015110  -0.021441
+    1SOL     H5    5   0.349303  -0.082737  -0.081884
+    1SOL     H6    6   0.321071  -0.021769   0.053780
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089739  -0.010187   0.031709
+    0SOL     H3    3   0.050258   0.024549   0.077677
+    1SOL     O4    4  -0.251495  -0.015018   0.034945
+    1SOL     H5    5  -0.295454  -0.003849   0.119238
+    1SOL     H6    6  -0.278560   0.061031  -0.016498
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076148   0.037511   0.044235
+    0SOL     H3    3  -0.073443   0.019023   0.058365
+    1SOL     O4    4  -0.036468  -0.267263   0.044977
+    1SOL     H5    5  -0.040163  -0.173040   0.028527
+    1SOL     H6    6  -0.085136  -0.279316   0.126516
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/071/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080778  -0.036526  -0.036098
+    0SOL     H3    3   0.066565  -0.018978  -0.066116
+    1SOL     O4    4   0.032079  -0.216198   0.187970
+    1SOL     H5    5   0.127042  -0.228182   0.188754
+    1SOL     H6    6   0.018589  -0.134550   0.139867
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094754   0.013561  -0.000053
+    0SOL     H3    3   0.030719   0.044934  -0.078738
+    1SOL     O4    4   0.080551   0.154829  -0.205038
+    1SOL     H5    5   0.175462   0.142678  -0.202469
+    1SOL     H6    6   0.067139   0.245177  -0.176410
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086179  -0.021578   0.035636
+    0SOL     H3    3   0.007378  -0.053511  -0.079022
+    1SOL     O4    4   0.150406  -0.089336   0.189444
+    1SOL     H5    5   0.104762  -0.063314   0.109433
+    1SOL     H6    6   0.133339  -0.018100   0.251060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/074/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033864   0.084805   0.028701
+    0SOL     H3    3  -0.014022  -0.058013   0.074834
+    1SOL     O4    4  -0.057765   0.213255   0.141757
+    1SOL     H5    5  -0.060688   0.308633   0.134214
+    1SOL     H6    6   0.010794   0.196383   0.206389
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/075/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005444  -0.080663   0.051246
+    0SOL     H3    3   0.021665   0.067726   0.064079
+    1SOL     O4    4   0.281851  -0.000559  -0.048600
+    1SOL     H5    5   0.289742  -0.078383   0.006569
+    1SOL     H6    6   0.187630   0.010167  -0.061630
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046372   0.025192  -0.079858
+    0SOL     H3    3  -0.045749   0.046551   0.070017
+    1SOL     O4    4  -0.052306  -0.289616   0.019281
+    1SOL     H5    5  -0.027235  -0.197238   0.018835
+    1SOL     H6    6  -0.131784  -0.293170  -0.033944
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020195  -0.062960  -0.069214
+    0SOL     H3    3   0.087573  -0.024477   0.029903
+    1SOL     O4    4  -0.004761   0.268290   0.015300
+    1SOL     H5    5  -0.005498   0.178059  -0.016639
+    1SOL     H6    6  -0.012840   0.321769  -0.063675
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005693   0.094407   0.014741
+    0SOL     H3    3  -0.010819  -0.038560   0.086939
+    1SOL     O4    4   0.216048  -0.061511  -0.143615
+    1SOL     H5    5   0.153288  -0.050652  -0.072162
+    1SOL     H6    6   0.190764   0.004629  -0.208024
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081989   0.011382   0.048068
+    0SOL     H3    3   0.000512  -0.091858  -0.026912
+    1SOL     O4    4   0.022970  -0.297168   0.017853
+    1SOL     H5    5   0.114992  -0.318323   0.033557
+    1SOL     H6    6  -0.017779  -0.301629   0.104351
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013456  -0.082163   0.047228
+    0SOL     H3    3  -0.091885  -0.002444  -0.026713
+    1SOL     O4    4   0.210765   0.011548  -0.168122
+    1SOL     H5    5   0.120282   0.000007  -0.139108
+    1SOL     H6    6   0.219540  -0.047097  -0.243262
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007599  -0.095388   0.002392
+    0SOL     H3    3  -0.075589   0.028821  -0.051167
+    1SOL     O4    4  -0.193588   0.048834  -0.161990
+    1SOL     H5    5  -0.283539   0.017153  -0.153773
+    1SOL     H6    6  -0.199236   0.121191  -0.224399
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009602   0.093126  -0.019942
+    0SOL     H3    3  -0.077126  -0.004615   0.056503
+    1SOL     O4    4   0.021015  -0.221096  -0.169686
+    1SOL     H5    5   0.113336  -0.236392  -0.149556
+    1SOL     H6    6   0.002765  -0.134155  -0.134044
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085966  -0.032377  -0.026905
+    0SOL     H3    3  -0.055804  -0.013584  -0.076575
+    1SOL     O4    4   0.213422  -0.082969  -0.150986
+    1SOL     H5    5   0.187979  -0.142245  -0.221706
+    1SOL     H6    6   0.213966   0.003790  -0.191419
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090421   0.019913   0.024288
+    0SOL     H3    3   0.049111   0.007894   0.081781
+    1SOL     O4    4   0.213017  -0.028547   0.177922
+    1SOL     H5    5   0.227549  -0.122689   0.187320
+    1SOL     H6    6   0.249317   0.009445   0.257930
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/085/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085673  -0.036011   0.022928
+    0SOL     H3    3  -0.050628  -0.005033   0.081079
+    1SOL     O4    4   0.270815  -0.049895   0.048415
+    1SOL     H5    5   0.322141  -0.080967   0.122997
+    1SOL     H6    6   0.293063  -0.109956  -0.022719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/086/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004677   0.063499  -0.071473
+    0SOL     H3    3  -0.074107   0.021932   0.056475
+    1SOL     O4    4  -0.003954   0.228323  -0.170876
+    1SOL     H5    5  -0.098624   0.233118  -0.184176
+    1SOL     H6    6   0.015362   0.299582  -0.109954
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/087/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008565   0.095236   0.004366
+    0SOL     H3    3  -0.071172  -0.020500   0.060635
+    1SOL     O4    4   0.335832   0.052802  -0.129987
+    1SOL     H5    5   0.350018  -0.034223  -0.092733
+    1SOL     H6    6   0.370456   0.113031  -0.064139
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/088/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092126  -0.025632  -0.004256
+    0SOL     H3    3  -0.022125  -0.005340   0.092975
+    1SOL     O4    4   0.065034  -0.372796   0.123540
+    1SOL     H5    5  -0.028961  -0.387833   0.113488
+    1SOL     H6    6   0.071728  -0.309898   0.195383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/089/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008980   0.095275   0.002094
+    0SOL     H3    3  -0.059940  -0.028243  -0.069079
+    1SOL     O4    4  -0.322556   0.083206   0.154403
+    1SOL     H5    5  -0.318574  -0.004757   0.116867
+    1SOL     H6    6  -0.346528   0.139611   0.080876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/090/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079175  -0.021189   0.049444
+    0SOL     H3    3   0.017613  -0.078483  -0.051890
+    1SOL     O4    4  -0.203299  -0.036164   0.194351
+    1SOL     H5    5  -0.297776  -0.025341   0.183434
+    1SOL     H6    6  -0.194245  -0.114167   0.249086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/091/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034038  -0.024346   0.086087
+    0SOL     H3    3   0.095133  -0.004007   0.009798
+    1SOL     O4    4  -0.200100   0.017115   0.204632
+    1SOL     H5    5  -0.254558  -0.024646   0.137904
+    1SOL     H6    6  -0.204659   0.110542   0.184308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/092/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094868   0.008759  -0.009252
+    0SOL     H3    3  -0.027137   0.079721   0.045502
+    1SOL     O4    4  -0.059133  -0.158624   0.198453
+    1SOL     H5    5  -0.040908  -0.250859   0.180484
+    1SOL     H6    6  -0.052595  -0.115798   0.113098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/093/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047908  -0.016076   0.081294
+    0SOL     H3    3   0.091992  -0.011983   0.023585
+    1SOL     O4    4  -0.186727   0.008833   0.185898
+    1SOL     H5    5  -0.268107  -0.007349   0.138171
+    1SOL     H6    6  -0.191910  -0.048563   0.262326
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/094/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065811  -0.014448  -0.067989
+    0SOL     H3    3   0.004734   0.093809   0.018435
+    1SOL     O4    4   0.013844  -0.169691   0.216630
+    1SOL     H5    5   0.007814  -0.116816   0.137068
+    1SOL     H6    6   0.020635  -0.259812   0.185095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/095/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027629   0.083564   0.037629
+    0SOL     H3    3   0.085559   0.018284  -0.038830
+    1SOL     O4    4  -0.233393  -0.036140  -0.174427
+    1SOL     H5    5  -0.207685  -0.128173  -0.180027
+    1SOL     H6    6  -0.174290   0.001357  -0.109135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/096/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023578  -0.063998  -0.067161
+    0SOL     H3    3  -0.053773  -0.023615   0.075585
+    1SOL     O4    4  -0.009681   0.270574  -0.048297
+    1SOL     H5    5  -0.001444   0.176152  -0.061678
+    1SOL     H6    6  -0.083473   0.279927   0.011948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/097/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095380  -0.005102  -0.006236
+    0SOL     H3    3   0.023014  -0.063223   0.068084
+    1SOL     O4    4   0.209696   0.071895  -0.152283
+    1SOL     H5    5   0.148902   0.026720  -0.093755
+    1SOL     H6    6   0.236311   0.005085  -0.215453
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/098/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006594   0.092409  -0.024073
+    0SOL     H3    3  -0.087931  -0.023391   0.029719
+    1SOL     O4    4   0.180516  -0.027776   0.197649
+    1SOL     H5    5   0.114839  -0.018691   0.128610
+    1SOL     H6    6   0.157286   0.039313   0.261849
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/099/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064729   0.004012  -0.070402
+    0SOL     H3    3   0.013627  -0.085761   0.040271
+    1SOL     O4    4  -0.079073  -0.284338  -0.127070
+    1SOL     H5    5  -0.144213  -0.255933  -0.062943
+    1SOL     H6    6  -0.088648  -0.222893  -0.199837
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/100/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070699   0.026134   0.059000
+    0SOL     H3    3   0.080192   0.020632   0.048020
+    1SOL     O4    4  -0.004516   0.212928  -0.156058
+    1SOL     H5    5  -0.020497   0.125125  -0.121450
+    1SOL     H6    6   0.008503   0.267335  -0.078387
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/101/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093134  -0.006682  -0.021067
+    0SOL     H3    3  -0.004367   0.066605   0.068608
+    1SOL     O4    4  -0.136177   0.063524  -0.228469
+    1SOL     H5    5  -0.139704   0.155374  -0.255181
+    1SOL     H6    6  -0.067834   0.060611  -0.161513
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/102/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094824   0.011729   0.005752
+    0SOL     H3    3  -0.020687  -0.062628   0.069369
+    1SOL     O4    4   0.255922   0.037230   0.031452
+    1SOL     H5    5   0.279998   0.122726   0.067134
+    1SOL     H6    6   0.328446   0.014167  -0.026604
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/103/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031096   0.050073  -0.075419
+    0SOL     H3    3   0.070209   0.007809   0.064592
+    1SOL     O4    4  -0.007687  -0.278885   0.009279
+    1SOL     H5    5   0.001263  -0.184122  -0.000833
+    1SOL     H6    6  -0.078853  -0.289672   0.072376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/104/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022868   0.092521   0.008905
+    0SOL     H3    3   0.002212  -0.033986   0.089456
+    1SOL     O4    4  -0.199187  -0.057362  -0.180710
+    1SOL     H5    5  -0.208888  -0.013899  -0.265441
+    1SOL     H6    6  -0.122125  -0.016389  -0.141404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/105/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070882  -0.036825  -0.052744
+    0SOL     H3    3   0.016671   0.094257   0.000149
+    1SOL     O4    4  -0.056791  -0.387469  -0.029362
+    1SOL     H5    5   0.031774  -0.393639  -0.065147
+    1SOL     H6    6  -0.113779  -0.387124  -0.106268
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/106/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091436   0.012710  -0.025304
+    0SOL     H3    3   0.050229   0.029064  -0.076122
+    1SOL     O4    4  -0.318673   0.202216   0.092312
+    1SOL     H5    5  -0.324091   0.267883   0.022881
+    1SOL     H6    6  -0.408215   0.194728   0.125303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/107/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019128   0.087758  -0.033089
+    0SOL     H3    3  -0.079258  -0.025683   0.047126
+    1SOL     O4    4   0.061565  -0.195718  -0.179256
+    1SOL     H5    5   0.155276  -0.195026  -0.198751
+    1SOL     H6    6   0.048327  -0.119881  -0.122371
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/108/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023695  -0.090758   0.019075
+    0SOL     H3    3  -0.041730   0.050824   0.069555
+    1SOL     O4    4  -0.040488   0.172855   0.230698
+    1SOL     H5    5  -0.133104   0.158196   0.249928
+    1SOL     H6    6   0.005353   0.142946   0.309224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/109/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084339  -0.030418  -0.033525
+    0SOL     H3    3  -0.011448  -0.047157   0.082508
+    1SOL     O4    4  -0.285848   0.083967   0.115426
+    1SOL     H5    5  -0.210369   0.116751   0.164318
+    1SOL     H6    6  -0.291470   0.141086   0.038822
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/110/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093567  -0.012958  -0.015477
+    0SOL     H3    3  -0.042266  -0.033424  -0.079113
+    1SOL     O4    4  -0.189341  -0.066294  -0.165387
+    1SOL     H5    5  -0.195198  -0.154161  -0.202902
+    1SOL     H6    6  -0.230533  -0.009575  -0.230567
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/111/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020015  -0.076923  -0.053335
+    0SOL     H3    3   0.002824   0.072455  -0.062487
+    1SOL     O4    4   0.147220   0.018631   0.195413
+    1SOL     H5    5   0.091350  -0.029698   0.256283
+    1SOL     H6    6   0.106699   0.005117   0.109752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/112/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094441   0.006850  -0.014013
+    0SOL     H3    3   0.010004  -0.073390   0.060631
+    1SOL     O4    4  -0.268404  -0.004648  -0.020502
+    1SOL     H5    5  -0.328107   0.010225  -0.093829
+    1SOL     H6    6  -0.297158   0.057088   0.046759
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/113/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093948   0.011266   0.014462
+    0SOL     H3    3   0.023162   0.069023  -0.062142
+    1SOL     O4    4   0.078695  -0.156165  -0.192984
+    1SOL     H5    5   0.011699  -0.141080  -0.259664
+    1SOL     H6    6   0.040277  -0.122058  -0.112218
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/114/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014833  -0.093857   0.011543
+    0SOL     H3    3   0.074030   0.005342  -0.060443
+    1SOL     O4    4   0.333841  -0.052691   0.145334
+    1SOL     H5    5   0.338777   0.042745   0.139851
+    1SOL     H6    6   0.263159  -0.069525   0.207647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/115/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033701   0.068537   0.057700
+    0SOL     H3    3  -0.061154  -0.001609  -0.073620
+    1SOL     O4    4  -0.039871  -0.204376   0.163928
+    1SOL     H5    5  -0.036359  -0.122619   0.114272
+    1SOL     H6    6  -0.108146  -0.189770   0.229408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/116/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031134   0.088612   0.018466
+    0SOL     H3    3   0.060819  -0.033569  -0.065852
+    1SOL     O4    4   0.031167   0.254509   0.074369
+    1SOL     H5    5   0.051175   0.300940   0.155647
+    1SOL     H6    6   0.111893   0.259805   0.023208
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/117/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034708  -0.056659  -0.068901
+    0SOL     H3    3   0.060016  -0.012158   0.073570
+    1SOL     O4    4   0.196746  -0.025439   0.188894
+    1SOL     H5    5   0.202908   0.064583   0.220838
+    1SOL     H6    6   0.194993  -0.078984   0.268217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/118/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049933   0.048044   0.066036
+    0SOL     H3    3  -0.022446   0.042580  -0.082737
+    1SOL     O4    4  -0.050493   0.204176  -0.192525
+    1SOL     H5    5  -0.140855   0.229205  -0.211774
+    1SOL     H6    6  -0.003306   0.219850  -0.274317
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/119/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026945   0.091133  -0.011449
+    0SOL     H3    3   0.066295  -0.050696  -0.046874
+    1SOL     O4    4  -0.182467  -0.047195  -0.210029
+    1SOL     H5    5  -0.172519   0.008144  -0.287494
+    1SOL     H6    6  -0.116442  -0.014808  -0.148759
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/120/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043223   0.044133  -0.073119
+    0SOL     H3    3  -0.093426   0.006865  -0.019666
+    1SOL     O4    4   0.196714   0.086688  -0.183484
+    1SOL     H5    5   0.199684   0.179949  -0.204839
+    1SOL     H6    6   0.277545   0.070633  -0.134791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/121/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016523  -0.087566  -0.034950
+    0SOL     H3    3   0.026876   0.051521  -0.076063
+    1SOL     O4    4  -0.089536  -0.165022   0.315340
+    1SOL     H5    5  -0.126718  -0.083622   0.281373
+    1SOL     H6    6  -0.123202  -0.232987   0.256947
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/122/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072272   0.004124  -0.062626
+    0SOL     H3    3  -0.022480   0.064683   0.066881
+    1SOL     O4    4  -0.002599  -0.265630   0.029976
+    1SOL     H5    5   0.079911  -0.296102  -0.007784
+    1SOL     H6    6   0.010274  -0.171697   0.043137
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/123/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094851  -0.004888  -0.011905
+    0SOL     H3    3   0.017492   0.092827   0.015479
+    1SOL     O4    4  -0.275012   0.042855  -0.025524
+    1SOL     H5    5  -0.279504   0.127059   0.019773
+    1SOL     H6    6  -0.318997   0.058210  -0.109142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/124/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019318   0.069643   0.062762
+    0SOL     H3    3   0.094449  -0.013592   0.007552
+    1SOL     O4    4  -0.212460  -0.074409  -0.151174
+    1SOL     H5    5  -0.140997  -0.038037  -0.098901
+    1SOL     H6    6  -0.229234  -0.008212  -0.218248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/125/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001093  -0.085066  -0.043874
+    0SOL     H3    3  -0.071255  -0.004947   0.063723
+    1SOL     O4    4   0.100024  -0.328064   0.080209
+    1SOL     H5    5   0.171900  -0.303470   0.021975
+    1SOL     H6    6   0.117725  -0.280725   0.161498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/126/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033154  -0.089050   0.011544
+    0SOL     H3    3   0.014906   0.042307   0.084559
+    1SOL     O4    4   0.182270   0.047002  -0.200583
+    1SOL     H5    5   0.155953  -0.014644  -0.268917
+    1SOL     H6    6   0.114978   0.038171  -0.133084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/127/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094890  -0.011943  -0.003958
+    0SOL     H3    3   0.012521   0.072609   0.061103
+    1SOL     O4    4   0.200292   0.100903  -0.175820
+    1SOL     H5    5   0.203737   0.196170  -0.167180
+    1SOL     H6    6   0.111238   0.077628  -0.149555
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/128/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020736  -0.083807   0.041337
+    0SOL     H3    3   0.003908   0.063606   0.071424
+    1SOL     O4    4   0.213442   0.002606  -0.173867
+    1SOL     H5    5   0.143195  -0.002441  -0.109042
+    1SOL     H6    6   0.293998  -0.001130  -0.122301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/129/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094970   0.008886  -0.008004
+    0SOL     H3    3   0.012608  -0.083983   0.044161
+    1SOL     O4    4  -0.263721  -0.011739   0.045895
+    1SOL     H5    5  -0.323911   0.000651  -0.027494
+    1SOL     H6    6  -0.299477   0.043044   0.115771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/130/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092113  -0.012435  -0.022866
+    0SOL     H3    3  -0.001357   0.081037   0.050927
+    1SOL     O4    4  -0.024924   0.202091   0.169755
+    1SOL     H5    5  -0.103197   0.179997   0.220228
+    1SOL     H6    6   0.045806   0.202810   0.234245
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/131/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028904  -0.055183  -0.072675
+    0SOL     H3    3  -0.060474  -0.020580   0.071286
+    1SOL     O4    4  -0.180054  -0.053753   0.183030
+    1SOL     H5    5  -0.178612  -0.011429   0.268872
+    1SOL     H6    6  -0.259220  -0.020130   0.141022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/132/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092404  -0.002182   0.024879
+    0SOL     H3    3  -0.047332  -0.010281   0.082561
+    1SOL     O4    4   0.284325  -0.013592   0.014065
+    1SOL     H5    5   0.311103  -0.079992  -0.049467
+    1SOL     H6    6   0.287938   0.068858  -0.034426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/133/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006891  -0.095030  -0.009170
+    0SOL     H3    3   0.013983   0.033726  -0.088484
+    1SOL     O4    4  -0.226760   0.042402   0.156015
+    1SOL     H5    5  -0.164109   0.046417   0.083758
+    1SOL     H6    6  -0.184005  -0.012390   0.221834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/134/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036581  -0.079766   0.038229
+    0SOL     H3    3  -0.094792  -0.011367   0.006899
+    1SOL     O4    4   0.177495   0.062944  -0.193271
+    1SOL     H5    5   0.095924   0.048194  -0.145407
+    1SOL     H6    6   0.173495   0.001900  -0.266892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/135/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031229  -0.086208   0.027481
+    0SOL     H3    3  -0.050350   0.019708  -0.078986
+    1SOL     O4    4  -0.193411   0.044974  -0.182054
+    1SOL     H5    5  -0.190356   0.138902  -0.200235
+    1SOL     H6    6  -0.180246   0.003579  -0.267350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/136/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093951   0.000810  -0.018302
+    0SOL     H3    3  -0.041157   0.015112  -0.085089
+    1SOL     O4    4   0.041449  -0.257577   0.029898
+    1SOL     H5    5   0.001396  -0.170651   0.031278
+    1SOL     H6    6  -0.030822  -0.317596   0.048253
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/137/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022680   0.092564  -0.008937
+    0SOL     H3    3  -0.009401  -0.035650  -0.088335
+    1SOL     O4    4  -0.216680  -0.077593   0.148555
+    1SOL     H5    5  -0.193387  -0.158862   0.193444
+    1SOL     H6    6  -0.140983  -0.058158   0.093286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/138/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021474  -0.073261   0.057740
+    0SOL     H3    3  -0.094954  -0.005106  -0.010949
+    1SOL     O4    4   0.231300   0.068338  -0.146315
+    1SOL     H5    5   0.143619   0.040472  -0.119898
+    1SOL     H6    6   0.257789   0.004576  -0.212611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/139/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084013  -0.010555  -0.044640
+    0SOL     H3    3   0.013905   0.072964   0.060376
+    1SOL     O4    4  -0.187557  -0.059116  -0.181521
+    1SOL     H5    5  -0.124988  -0.027877  -0.116165
+    1SOL     H6    6  -0.184242   0.006449  -0.251182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/140/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062674  -0.028661   0.066429
+    0SOL     H3    3  -0.027244  -0.045270  -0.079817
+    1SOL     O4    4   0.034682  -0.359138  -0.075474
+    1SOL     H5    5  -0.004787  -0.445219  -0.061525
+    1SOL     H6    6   0.086612  -0.343482   0.003396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/141/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017291  -0.030887  -0.088934
+    0SOL     H3    3   0.094566  -0.010016   0.010923
+    1SOL     O4    4  -0.186133  -0.043769   0.204081
+    1SOL     H5    5  -0.173109   0.011588   0.281077
+    1SOL     H6    6  -0.119808  -0.014160   0.141739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/142/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090340   0.026481  -0.017311
+    0SOL     H3    3   0.045827   0.015611  -0.082574
+    1SOL     O4    4  -0.053649   0.377711  -0.152824
+    1SOL     H5    5   0.041652   0.368810  -0.153751
+    1SOL     H6    6  -0.073332   0.432924  -0.228497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/143/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079949   0.009398  -0.051789
+    0SOL     H3    3   0.070962   0.014895  -0.062489
+    1SOL     O4    4   0.320255  -0.046400   0.108115
+    1SOL     H5    5   0.316819   0.042663   0.073211
+    1SOL     H6    6   0.318990  -0.102603   0.030642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/144/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093352  -0.012952  -0.016735
+    0SOL     H3    3   0.012658  -0.030121   0.089971
+    1SOL     O4    4   0.058116   0.201973  -0.174486
+    1SOL     H5    5   0.068369   0.137157  -0.104801
+    1SOL     H6    6  -0.003515   0.161816  -0.235734
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/145/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034464  -0.089299   0.000446
+    0SOL     H3    3   0.054410   0.046406  -0.063627
+    1SOL     O4    4   0.199707   0.118995  -0.154027
+    1SOL     H5    5   0.192130   0.214165  -0.147127
+    1SOL     H6    6   0.267710   0.095689  -0.090823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/146/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080702  -0.029938  -0.041872
+    0SOL     H3    3  -0.011908  -0.059220   0.074253
+    1SOL     O4    4   0.220766  -0.033498  -0.192421
+    1SOL     H5    5   0.316306  -0.037544  -0.188172
+    1SOL     H6    6   0.202133   0.050747  -0.233870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/147/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086735   0.023026  -0.033304
+    0SOL     H3    3  -0.055344  -0.004097  -0.077991
+    1SOL     O4    4   0.267102   0.065105   0.032166
+    1SOL     H5    5   0.298754   0.147026   0.070239
+    1SOL     H6    6   0.279034   0.000222   0.101521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/148/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079954  -0.027598   0.044810
+    0SOL     H3    3   0.015179  -0.067742  -0.065901
+    1SOL     O4    4  -0.273430   0.019858  -0.127743
+    1SOL     H5    5  -0.343842   0.075052  -0.161773
+    1SOL     H6    6  -0.232705   0.072573  -0.059005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/149/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060633  -0.009859  -0.073408
+    0SOL     H3    3   0.036987  -0.054818   0.069205
+    1SOL     O4    4   0.052721  -0.165888   0.193443
+    1SOL     H5    5   0.144971  -0.153277   0.215651
+    1SOL     H6    6   0.005192  -0.138504   0.271887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/150/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006507  -0.095493   0.001042
+    0SOL     H3    3  -0.072933   0.028424  -0.055093
+    1SOL     O4    4   0.023117   0.186140   0.210736
+    1SOL     H5    5   0.013421   0.093703   0.187852
+    1SOL     H6    6  -0.004481   0.233336   0.132166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/151/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055892  -0.052911  -0.056910
+    0SOL     H3    3   0.003282  -0.044309   0.084783
+    1SOL     O4    4   0.036403   0.269167  -0.036050
+    1SOL     H5    5   0.130003   0.278483  -0.053785
+    1SOL     H6    6   0.022266   0.174643  -0.030789
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049712   0.017034  -0.080005
+    0SOL     H3    3  -0.042226   0.054351   0.066522
+    1SOL     O4    4   0.134748   0.126137  -0.348431
+    1SOL     H5    5   0.073238   0.162309  -0.412231
+    1SOL     H6    6   0.220056   0.131768  -0.391480
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001589   0.092751  -0.023601
+    0SOL     H3    3  -0.080946  -0.010667   0.049964
+    1SOL     O4    4   0.202100  -0.026122   0.170765
+    1SOL     H5    5   0.180215  -0.118878   0.179683
+    1SOL     H6    6   0.134106   0.009168   0.113374
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/154/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019676   0.081602  -0.046002
+    0SOL     H3    3  -0.060435  -0.000881   0.074223
+    1SOL     O4    4  -0.026000  -0.204731  -0.166340
+    1SOL     H5    5  -0.115674  -0.199472  -0.199403
+    1SOL     H6    6  -0.019679  -0.133527  -0.102681
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079006  -0.012836  -0.052494
+    0SOL     H3    3   0.008701  -0.062353   0.072102
+    1SOL     O4    4  -0.003707  -0.206728   0.189581
+    1SOL     H5    5   0.024341  -0.270424   0.123865
+    1SOL     H6    6  -0.097127  -0.223945   0.201353
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090919  -0.017296  -0.024430
+    0SOL     H3    3   0.006006   0.063204   0.071634
+    1SOL     O4    4   0.107050  -0.313224  -0.152923
+    1SOL     H5    5   0.170374  -0.303645  -0.081785
+    1SOL     H6    6   0.119586  -0.235164  -0.206884
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014717  -0.027639   0.090453
+    0SOL     H3    3  -0.002120  -0.081245  -0.050567
+    1SOL     O4    4  -0.287011   0.034111  -0.073894
+    1SOL     H5    5  -0.200240   0.020555  -0.035821
+    1SOL     H6    6  -0.347373   0.023831  -0.000320
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094499  -0.008044   0.012943
+    0SOL     H3    3  -0.018473  -0.054512  -0.076482
+    1SOL     O4    4  -0.048793  -0.180387  -0.209156
+    1SOL     H5    5  -0.046785  -0.275936  -0.214508
+    1SOL     H6    6  -0.003037  -0.150972  -0.287918
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/159/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089493   0.008973   0.032754
+    0SOL     H3    3  -0.055053   0.009220   0.077760
+    1SOL     O4    4   0.013742  -0.309184   0.147618
+    1SOL     H5    5  -0.081865  -0.305849   0.144388
+    1SOL     H6    6   0.037876  -0.243176   0.212602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/160/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039329   0.074894  -0.044793
+    0SOL     H3    3   0.067772  -0.030047   0.060551
+    1SOL     O4    4   0.095722   0.194980  -0.138679
+    1SOL     H5    5   0.076755   0.288787  -0.136977
+    1SOL     H6    6   0.174770   0.187444  -0.192129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/161/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.029415   0.056207  -0.071679
+    0SOL     H3    3  -0.003661  -0.088636  -0.035953
+    1SOL     O4    4   0.281012   0.036930  -0.009358
+    1SOL     H5    5   0.338765   0.055656   0.064644
+    1SOL     H6    6   0.192732   0.041353   0.027377
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/162/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094434  -0.003930   0.015137
+    0SOL     H3    3  -0.016898  -0.068925  -0.064235
+    1SOL     O4    4   0.127590   0.129456  -0.328581
+    1SOL     H5    5   0.163830   0.040924  -0.325268
+    1SOL     H6    6   0.174326   0.177102  -0.259967
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/163/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024983  -0.090930  -0.016430
+    0SOL     H3    3  -0.028425   0.047214  -0.078263
+    1SOL     O4    4  -0.198135   0.048034   0.195327
+    1SOL     H5    5  -0.181656   0.139952   0.216344
+    1SOL     H6    6  -0.120945   0.020514   0.145862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/164/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010545   0.093110   0.019533
+    0SOL     H3    3  -0.094688  -0.012707  -0.005914
+    1SOL     O4    4  -0.278447  -0.048367  -0.041139
+    1SOL     H5    5  -0.296724  -0.138010  -0.012989
+    1SOL     H6    6  -0.348544  -0.027881  -0.103018
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/165/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055372  -0.022551  -0.074751
+    0SOL     H3    3  -0.012567  -0.082777   0.046394
+    1SOL     O4    4  -0.023614   0.289657   0.001340
+    1SOL     H5    5  -0.044995   0.198590   0.021636
+    1SOL     H6    6  -0.038608   0.336681   0.083354
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/166/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066053  -0.010449  -0.068485
+    0SOL     H3    3  -0.006814  -0.079878   0.052302
+    1SOL     O4    4  -0.198375  -0.069484  -0.177893
+    1SOL     H5    5  -0.169428  -0.160300  -0.186659
+    1SOL     H6    6  -0.272801  -0.073707  -0.117850
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/167/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002510   0.090924   0.029815
+    0SOL     H3    3  -0.084086  -0.008188  -0.044997
+    1SOL     O4    4   0.371985   0.040764  -0.002476
+    1SOL     H5    5   0.330897   0.027236  -0.087864
+    1SOL     H6    6   0.341950  -0.033035   0.050571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/168/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008264  -0.095115  -0.006873
+    0SOL     H3    3  -0.090659   0.014311   0.027175
+    1SOL     O4    4   0.186269   0.101591   0.185105
+    1SOL     H5    5   0.173573   0.196288   0.179313
+    1SOL     H6    6   0.117683   0.064732   0.129429
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/169/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095286   0.008777  -0.002431
+    0SOL     H3    3  -0.015899  -0.072318   0.060660
+    1SOL     O4    4   0.005502   0.191937   0.196470
+    1SOL     H5    5  -0.014746   0.281843   0.170601
+    1SOL     H6    6  -0.011110   0.140008   0.117795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/170/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022771   0.092625   0.008025
+    0SOL     H3    3   0.026301  -0.038509   0.083592
+    1SOL     O4    4  -0.286035  -0.012019  -0.018587
+    1SOL     H5    5  -0.190781  -0.019018  -0.024929
+    1SOL     H6    6  -0.317673  -0.035305  -0.105874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/171/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001635   0.095339   0.008372
+    0SOL     H3    3   0.022415  -0.032147   0.087330
+    1SOL     O4    4  -0.281123   0.015262   0.007345
+    1SOL     H5    5  -0.342586  -0.013881  -0.059999
+    1SOL     H6    6  -0.194709   0.001508  -0.031460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/172/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013573  -0.089302   0.031673
+    0SOL     H3    3   0.024307   0.055658   0.073984
+    1SOL     O4    4  -0.213888   0.053540  -0.194435
+    1SOL     H5    5  -0.199397  -0.006477  -0.267580
+    1SOL     H6    6  -0.137985   0.040786  -0.137528
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/173/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045838   0.059850  -0.058984
+    0SOL     H3    3   0.056269  -0.005345   0.077249
+    1SOL     O4    4  -0.278717   0.016913  -0.005252
+    1SOL     H5    5  -0.268900   0.090906  -0.065176
+    1SOL     H6    6  -0.197555   0.016192   0.045488
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/174/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094288   0.006530  -0.015147
+    0SOL     H3    3   0.007987  -0.053908   0.078692
+    1SOL     O4    4   0.157182  -0.036147  -0.235593
+    1SOL     H5    5   0.091845  -0.016091  -0.168576
+    1SOL     H6    6   0.143685   0.030489  -0.302971
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/175/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086935   0.015292   0.037025
+    0SOL     H3    3  -0.060540   0.024625   0.069934
+    1SOL     O4    4   0.119104  -0.135111  -0.290933
+    1SOL     H5    5   0.031039  -0.100852  -0.275662
+    1SOL     H6    6   0.167271  -0.114000  -0.210953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/176/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074294  -0.036192   0.048299
+    0SOL     H3    3  -0.007581   0.094695   0.011735
+    1SOL     O4    4   0.083951  -0.194985  -0.175670
+    1SOL     H5    5   0.070487  -0.118827  -0.119269
+    1SOL     H6    6   0.178143  -0.211522  -0.171583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/177/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013560   0.094665   0.004116
+    0SOL     H3    3  -0.080526  -0.014886   0.049560
+    1SOL     O4    4  -0.231046  -0.001980   0.162989
+    1SOL     H5    5  -0.322907  -0.023641   0.178950
+    1SOL     H6    6  -0.206809   0.055044   0.235949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/178/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024878  -0.059167   0.071012
+    0SOL     H3    3  -0.047103   0.081182   0.018790
+    1SOL     O4    4  -0.073393  -0.171958   0.208951
+    1SOL     H5    5  -0.161112  -0.143079   0.234124
+    1SOL     H6    6  -0.086491  -0.259467   0.172443
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/179/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006123   0.090304   0.031146
+    0SOL     H3    3  -0.012824  -0.053358   0.078427
+    1SOL     O4    4   0.192762  -0.049490  -0.192989
+    1SOL     H5    5   0.272454  -0.024211  -0.146379
+    1SOL     H6    6   0.124843  -0.050600  -0.125549
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/180/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076139   0.023800   0.052903
+    0SOL     H3    3  -0.008773   0.071544  -0.062982
+    1SOL     O4    4  -0.064295   0.208657  -0.154921
+    1SOL     H5    5  -0.157765   0.212545  -0.175183
+    1SOL     H6    6  -0.049816   0.281376  -0.094385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/181/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026412  -0.059638  -0.070058
+    0SOL     H3    3  -0.070344  -0.006234   0.064616
+    1SOL     O4    4  -0.015352  -0.157432  -0.215903
+    1SOL     H5    5   0.076657  -0.141090  -0.236630
+    1SOL     H6    6  -0.018306  -0.249816  -0.191029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/182/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015432   0.063401   0.070032
+    0SOL     H3    3  -0.017983  -0.082219   0.045595
+    1SOL     O4    4   0.037997   0.149766   0.209500
+    1SOL     H5    5   0.011067   0.232536   0.169672
+    1SOL     H6    6   0.133298   0.148745   0.200616
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/183/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081626  -0.010783  -0.048819
+    0SOL     H3    3  -0.068633  -0.005429  -0.066501
+    1SOL     O4    4  -0.299017   0.064775   0.113500
+    1SOL     H5    5  -0.270191  -0.025439   0.099614
+    1SOL     H6    6  -0.378425   0.056732   0.166340
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/184/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083724  -0.037248   0.027663
+    0SOL     H3    3   0.060225  -0.020603   0.071490
+    1SOL     O4    4  -0.285627  -0.063413   0.021194
+    1SOL     H5    5  -0.291323   0.031470   0.009925
+    1SOL     H6    6  -0.308603  -0.099188  -0.064565
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/185/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024910  -0.079680   0.046829
+    0SOL     H3    3  -0.027718   0.071305   0.057529
+    1SOL     O4    4  -0.054801   0.196719   0.185995
+    1SOL     H5    5  -0.140867   0.163161   0.211072
+    1SOL     H6    6   0.001783   0.175526   0.260233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/186/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036505   0.087179  -0.015151
+    0SOL     H3    3   0.094467   0.014242   0.005960
+    1SOL     O4    4  -0.186327  -0.082495   0.182084
+    1SOL     H5    5  -0.207927  -0.175742   0.181253
+    1SOL     H6    6  -0.124202  -0.071610   0.110082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/187/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060248  -0.031450  -0.067405
+    0SOL     H3    3  -0.000242  -0.069188   0.066146
+    1SOL     O4    4   0.012482  -0.195483   0.197421
+    1SOL     H5    5   0.105492  -0.207998   0.216260
+    1SOL     H6    6  -0.027414  -0.179650   0.282978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/188/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092383   0.018823   0.016535
+    0SOL     H3    3   0.021708   0.052298  -0.077175
+    1SOL     O4    4  -0.282757  -0.051231   0.024361
+    1SOL     H5    5  -0.348049  -0.052068   0.094351
+    1SOL     H6    6  -0.312624   0.017227  -0.035504
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/189/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007178  -0.091819   0.026077
+    0SOL     H3    3   0.004927   0.048095   0.082613
+    1SOL     O4    4  -0.019045  -0.267757  -0.050062
+    1SOL     H5    5  -0.097700  -0.267218  -0.104609
+    1SOL     H6    6   0.049042  -0.304395  -0.106490
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/190/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057773  -0.033279  -0.068681
+    0SOL     H3    3  -0.003903   0.094366  -0.015561
+    1SOL     O4    4  -0.086116  -0.199461   0.153231
+    1SOL     H5    5  -0.179521  -0.189390   0.171575
+    1SOL     H6    6  -0.057654  -0.112484   0.125175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/191/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021982   0.081067   0.045905
+    0SOL     H3    3  -0.024038  -0.069530   0.061237
+    1SOL     O4    4  -0.045175   0.224173   0.178947
+    1SOL     H5    5  -0.041035   0.316510   0.154067
+    1SOL     H6    6  -0.132999   0.213043   0.215353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/192/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019774   0.074640  -0.056570
+    0SOL     H3    3   0.061734   0.007980   0.072716
+    1SOL     O4    4  -0.135832  -0.114504   0.283602
+    1SOL     H5    5  -0.222125  -0.151941   0.301335
+    1SOL     H6    6  -0.097482  -0.172644   0.217941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/193/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089812  -0.003532   0.032918
+    0SOL     H3    3  -0.054522  -0.013286   0.077545
+    1SOL     O4    4  -0.192578   0.011921   0.175300
+    1SOL     H5    5  -0.211050  -0.047133   0.248332
+    1SOL     H6    6  -0.263450  -0.004079   0.112982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/194/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015467   0.059118   0.073676
+    0SOL     H3    3  -0.074357   0.038450  -0.046421
+    1SOL     O4    4   0.155320   0.024487  -0.220967
+    1SOL     H5    5   0.122765  -0.054360  -0.264392
+    1SOL     H6    6   0.125032   0.016322  -0.130534
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/195/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033050  -0.089280   0.009958
+    0SOL     H3    3   0.051167   0.051618   0.062288
+    1SOL     O4    4   0.101662   0.199364   0.144490
+    1SOL     H5    5   0.042539   0.216955   0.217684
+    1SOL     H6    6   0.080590   0.266774   0.079883
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/196/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063722   0.022405   0.067822
+    0SOL     H3    3   0.084912   0.006824   0.043654
+    1SOL     O4    4  -0.100931   0.207090  -0.150602
+    1SOL     H5    5  -0.192252   0.178516  -0.148093
+    1SOL     H6    6  -0.051854   0.133920  -0.113186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/197/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079063  -0.019970   0.050126
+    0SOL     H3    3   0.071096  -0.039230   0.050682
+    1SOL     O4    4  -0.281435   0.028598  -0.001065
+    1SOL     H5    5  -0.273312   0.121848  -0.021083
+    1SOL     H6    6  -0.284861  -0.014113  -0.086659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/198/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020014  -0.088708   0.029878
+    0SOL     H3    3  -0.067386   0.019128  -0.065235
+    1SOL     O4    4  -0.175610   0.079866  -0.211949
+    1SOL     H5    5  -0.254208   0.059768  -0.161148
+    1SOL     H6    6  -0.160114   0.001242  -0.264299
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/199/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093173  -0.012690  -0.017891
+    0SOL     H3    3  -0.024539   0.075748  -0.053126
+    1SOL     O4    4  -0.051794  -0.215585  -0.165371
+    1SOL     H5    5  -0.054662  -0.148349  -0.097302
+    1SOL     H6    6  -0.093249  -0.174636  -0.241312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/200/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000089  -0.088874   0.035548
+    0SOL     H3    3  -0.002412   0.056682   0.077095
+    1SOL     O4    4  -0.056372   0.181007   0.218802
+    1SOL     H5    5  -0.129955   0.128732   0.250665
+    1SOL     H6    6   0.017469   0.154409   0.273596
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/201/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056150  -0.035280  -0.069027
+    0SOL     H3    3   0.029931  -0.043480   0.079849
+    1SOL     O4    4   0.075767  -0.142877   0.214873
+    1SOL     H5    5   0.166579  -0.127337   0.240833
+    1SOL     H6    6   0.024369  -0.119428   0.292144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/202/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066268   0.002357  -0.069031
+    0SOL     H3    3   0.032677  -0.064779   0.062436
+    1SOL     O4    4  -0.271032   0.035443  -0.062359
+    1SOL     H5    5  -0.181893   0.013282  -0.089295
+    1SOL     H6    6  -0.320546   0.039395  -0.144182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/203/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028350  -0.048754  -0.077341
+    0SOL     H3    3  -0.003436  -0.063862   0.071219
+    1SOL     O4    4  -0.028325   0.231888   0.171882
+    1SOL     H5    5  -0.115221   0.235294   0.211880
+    1SOL     H6    6  -0.037193   0.168658   0.100569
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/204/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021369  -0.090108   0.024211
+    0SOL     H3    3   0.052554   0.053853   0.059163
+    1SOL     O4    4   0.288271  -0.008813  -0.061839
+    1SOL     H5    5   0.262580   0.065286  -0.006961
+    1SOL     H6    6   0.229149  -0.004646  -0.137002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/205/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082684   0.024427  -0.041582
+    0SOL     H3    3  -0.064403   0.003565  -0.070724
+    1SOL     O4    4  -0.388819   0.022177  -0.045455
+    1SOL     H5    5  -0.357321  -0.051745   0.006561
+    1SOL     H6    6  -0.372677   0.098834   0.009548
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/206/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072041  -0.011250  -0.062015
+    0SOL     H3    3  -0.015390   0.094453   0.002030
+    1SOL     O4    4  -0.018774  -0.181238   0.211782
+    1SOL     H5    5   0.021262  -0.108636   0.163944
+    1SOL     H6    6   0.048197  -0.208475   0.274514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/207/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089506  -0.031159   0.013419
+    0SOL     H3    3   0.014690   0.062209   0.071250
+    1SOL     O4    4   0.104255   0.172294   0.177891
+    1SOL     H5    5   0.097894   0.260570   0.141432
+    1SOL     H6    6   0.045595   0.173282   0.253524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/208/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092784  -0.015539  -0.017662
+    0SOL     H3    3  -0.003585   0.090182   0.031885
+    1SOL     O4    4  -0.066912  -0.194718   0.175705
+    1SOL     H5    5  -0.069421  -0.122038   0.113467
+    1SOL     H6    6   0.013049  -0.180244   0.226292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/209/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064551   0.036815   0.060333
+    0SOL     H3    3  -0.006178   0.064259  -0.070675
+    1SOL     O4    4   0.120184  -0.110759  -0.300516
+    1SOL     H5    5   0.137782  -0.201766  -0.324400
+    1SOL     H6    6   0.119063  -0.063840  -0.383941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/210/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093674   0.019456  -0.002988
+    0SOL     H3    3  -0.018876  -0.012914   0.092948
+    1SOL     O4    4  -0.186526  -0.030324  -0.184170
+    1SOL     H5    5  -0.105501  -0.008307  -0.138207
+    1SOL     H6    6  -0.192341  -0.125682  -0.178217
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/211/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048858  -0.011115  -0.081558
+    0SOL     H3    3  -0.090164  -0.022693  -0.022755
+    1SOL     O4    4  -0.262674  -0.030668   0.008573
+    1SOL     H5    5  -0.339827  -0.008612  -0.043613
+    1SOL     H6    6  -0.262686  -0.126320   0.012184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/212/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093374   0.016114   0.013564
+    0SOL     H3    3  -0.003889  -0.087479  -0.038661
+    1SOL     O4    4  -0.180812   0.088236   0.187038
+    1SOL     H5    5  -0.114347   0.042819   0.135249
+    1SOL     H6    6  -0.185617   0.038610   0.268748
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/213/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083603   0.017626  -0.043153
+    0SOL     H3    3   0.066079   0.024755  -0.064676
+    1SOL     O4    4   0.132268  -0.115959   0.296755
+    1SOL     H5    5   0.179542  -0.076371   0.223541
+    1SOL     H6    6   0.042509  -0.125635   0.264942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/214/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006501   0.093425  -0.019792
+    0SOL     H3    3  -0.001198  -0.042807  -0.085606
+    1SOL     O4    4  -0.211456  -0.074107   0.168171
+    1SOL     H5    5  -0.193958  -0.014881   0.241304
+    1SOL     H6    6  -0.133324  -0.068100   0.113201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/215/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095535  -0.005809   0.001271
+    0SOL     H3    3   0.020012   0.048868  -0.079836
+    1SOL     O4    4   0.099031   0.202750  -0.150395
+    1SOL     H5    5   0.067288   0.253355  -0.075602
+    1SOL     H6    6   0.028508   0.208409  -0.214868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/216/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094743   0.011629   0.007136
+    0SOL     H3    3   0.034543   0.032987   0.082952
+    1SOL     O4    4   0.006727   0.329075  -0.023508
+    1SOL     H5    5   0.077542   0.303138   0.035439
+    1SOL     H6    6   0.024587   0.281735  -0.104763
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/217/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087562  -0.033343  -0.019583
+    0SOL     H3    3  -0.053874  -0.029456  -0.073432
+    1SOL     O4    4   0.100661  -0.146275  -0.249902
+    1SOL     H5    5   0.184951  -0.166583  -0.290462
+    1SOL     H6    6   0.084463  -0.219409  -0.190310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/218/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001234   0.072028   0.063029
+    0SOL     H3    3  -0.081113   0.012586  -0.049240
+    1SOL     O4    4   0.001533   0.171639   0.200323
+    1SOL     H5    5   0.009709   0.266995   0.198677
+    1SOL     H6    6  -0.074316   0.155018   0.256296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/219/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017751  -0.093269  -0.012171
+    0SOL     H3    3  -0.062727   0.003266   0.072229
+    1SOL     O4    4  -0.166556   0.026340   0.228515
+    1SOL     H5    5  -0.144485   0.112862   0.262999
+    1SOL     H6    6  -0.139945  -0.034481   0.297472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/220/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010754  -0.092406  -0.022537
+    0SOL     H3    3   0.066023   0.016103   0.067409
+    1SOL     O4    4   0.097313  -0.275167  -0.037160
+    1SOL     H5    5   0.186356  -0.305427  -0.054989
+    1SOL     H6    6   0.041351  -0.347910  -0.064346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/221/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056367  -0.002978   0.077306
+    0SOL     H3    3  -0.088620  -0.010952   0.034480
+    1SOL     O4    4   0.142130  -0.034988   0.206875
+    1SOL     H5    5   0.146462   0.044968   0.259320
+    1SOL     H6    6   0.224625  -0.036357   0.158346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/222/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091586  -0.024845   0.012533
+    0SOL     H3    3   0.037851  -0.002744   0.087875
+    1SOL     O4    4  -0.292846  -0.006891  -0.011457
+    1SOL     H5    5  -0.302740  -0.082617  -0.069163
+    1SOL     H6    6  -0.357422  -0.020893   0.057798
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/223/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019426  -0.092990   0.011741
+    0SOL     H3    3   0.093442   0.002583  -0.020596
+    1SOL     O4    4   0.255946   0.208657   0.180557
+    1SOL     H5    5   0.255802   0.300760   0.154492
+    1SOL     H6    6   0.224338   0.161804   0.103304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/224/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093025  -0.010148   0.020141
+    0SOL     H3    3  -0.003796   0.075796  -0.058334
+    1SOL     O4    4  -0.054005  -0.242263  -0.200542
+    1SOL     H5    5  -0.074124  -0.333187  -0.178397
+    1SOL     H6    6  -0.080932  -0.192271  -0.123483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/225/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031458  -0.075614   0.049550
+    0SOL     H3    3   0.072013   0.021492  -0.059284
+    1SOL     O4    4   0.081568  -0.200369   0.196582
+    1SOL     H5    5   0.109285  -0.287492   0.168236
+    1SOL     H6    6   0.160315  -0.161262   0.234423
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/226/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071649   0.016225   0.061364
+    0SOL     H3    3  -0.022529  -0.083132  -0.041759
+    1SOL     O4    4  -0.198354   0.085067   0.170263
+    1SOL     H5    5  -0.192864   0.180483   0.164984
+    1SOL     H6    6  -0.273873   0.062336   0.116017
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/227/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095569   0.003479   0.004093
+    0SOL     H3    3  -0.019484  -0.088378  -0.031177
+    1SOL     O4    4   0.278356  -0.012309  -0.028481
+    1SOL     H5    5   0.300536   0.030342  -0.111253
+    1SOL     H6    6   0.343484   0.020396   0.033576
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/228/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012039  -0.094960   0.000286
+    0SOL     H3    3  -0.079963   0.013901  -0.050745
+    1SOL     O4    4   0.024393  -0.260230   0.000658
+    1SOL     H5    5   0.090087  -0.293640  -0.060419
+    1SOL     H6    6   0.022993  -0.324265   0.071791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/229/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054671  -0.037255   0.069177
+    0SOL     H3    3  -0.025381  -0.047750  -0.078981
+    1SOL     O4    4   0.271802   0.025545   0.047527
+    1SOL     H5    5   0.179640   0.004940   0.031909
+    1SOL     H6    6   0.289909   0.099758  -0.010151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/230/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057770  -0.073605   0.020182
+    0SOL     H3    3   0.029639   0.070318   0.057786
+    1SOL     O4    4  -0.291978  -0.080587   0.158241
+    1SOL     H5    5  -0.288282   0.002086   0.110138
+    1SOL     H6    6  -0.367121  -0.070970   0.216750
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/231/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084308  -0.017346  -0.041875
+    0SOL     H3    3  -0.064919  -0.021145  -0.067087
+    1SOL     O4    4  -0.165677  -0.080446  -0.201971
+    1SOL     H5    5  -0.256354  -0.049827  -0.200395
+    1SOL     H6    6  -0.125114  -0.031658  -0.273641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/232/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091089  -0.026584  -0.012584
+    0SOL     H3    3   0.005635   0.086357   0.040903
+    1SOL     O4    4  -0.067828  -0.178841   0.196021
+    1SOL     H5    5  -0.049476  -0.118410   0.124094
+    1SOL     H6    6   0.000565  -0.160848   0.260526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/233/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093229   0.018368  -0.011545
+    0SOL     H3    3  -0.012267  -0.086866  -0.038290
+    1SOL     O4    4   0.267906   0.006922   0.004792
+    1SOL     H5    5   0.307500   0.066166  -0.059120
+    1SOL     H6    6   0.318138   0.021131   0.085025
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/234/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084137  -0.034508   0.029874
+    0SOL     H3    3  -0.060756  -0.019890   0.071242
+    1SOL     O4    4   0.068443   0.255717  -0.017728
+    1SOL     H5    5  -0.001814   0.293056   0.035489
+    1SOL     H6    6   0.046121   0.162942  -0.025269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/235/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093814  -0.016935  -0.008628
+    0SOL     H3    3   0.027871  -0.055760   0.072638
+    1SOL     O4    4  -0.041688   0.266459  -0.010623
+    1SOL     H5    5  -0.013328   0.175226  -0.004748
+    1SOL     H6    6   0.011311   0.312311   0.054576
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/236/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009952   0.092358   0.023094
+    0SOL     H3    3  -0.071704  -0.044013   0.045647
+    1SOL     O4    4   0.093055  -0.225208  -0.131182
+    1SOL     H5    5   0.184745  -0.243315  -0.151858
+    1SOL     H6    6   0.094293  -0.138607  -0.090428
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/237/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094649  -0.012044  -0.007671
+    0SOL     H3    3   0.010149   0.069684   0.064834
+    1SOL     O4    4   0.215103   0.061855  -0.187234
+    1SOL     H5    5   0.142840   0.029741  -0.133299
+    1SOL     H6    6   0.212458   0.007309  -0.265847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/238/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005158  -0.046944  -0.083258
+    0SOL     H3    3   0.089644  -0.000722   0.033552
+    1SOL     O4    4   0.274378   0.022585  -0.000004
+    1SOL     H5    5   0.293061   0.111330  -0.030626
+    1SOL     H6    6   0.339003   0.006846   0.068830
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/239/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084506  -0.017284  -0.041501
+    0SOL     H3    3   0.011846  -0.072463   0.061410
+    1SOL     O4    4  -0.303125   0.065156   0.097591
+    1SOL     H5    5  -0.218707   0.080178   0.140137
+    1SOL     H6    6  -0.298031   0.114855   0.015943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/240/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012945   0.093101  -0.018080
+    0SOL     H3    3   0.032672  -0.044411  -0.078246
+    1SOL     O4    4   0.080494  -0.220893  -0.140303
+    1SOL     H5    5   0.171312  -0.215670  -0.170088
+    1SOL     H6    6   0.083032  -0.281202  -0.066015
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/241/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052111   0.018258  -0.078188
+    0SOL     H3    3  -0.030272   0.063934   0.064485
+    1SOL     O4    4   0.165618  -0.334728  -0.148604
+    1SOL     H5    5   0.160936  -0.422735  -0.185955
+    1SOL     H6    6   0.157518  -0.348265  -0.054193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/242/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012252   0.093791   0.014678
+    0SOL     H3    3   0.031337  -0.006278  -0.090227
+    1SOL     O4    4  -0.260156  -0.069476  -0.066486
+    1SOL     H5    5  -0.285677  -0.119522   0.011014
+    1SOL     H6    6  -0.173655  -0.034527  -0.045074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/243/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008376   0.094920  -0.009072
+    0SOL     H3    3  -0.021195  -0.034367  -0.086787
+    1SOL     O4    4   0.280502   0.198334  -0.158988
+    1SOL     H5    5   0.200779   0.211989  -0.210174
+    1SOL     H6    6   0.256685   0.131362  -0.094880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/244/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074514  -0.027858   0.053235
+    0SOL     H3    3  -0.001129   0.095568   0.005278
+    1SOL     O4    4  -0.277440   0.046491  -0.148309
+    1SOL     H5    5  -0.245723   0.098044  -0.074156
+    1SOL     H6    6  -0.250967  -0.043272  -0.128205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/245/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043275  -0.004822   0.085243
+    0SOL     H3    3   0.009567  -0.087855  -0.036774
+    1SOL     O4    4   0.048774  -0.210095  -0.145444
+    1SOL     H5    5   0.137961  -0.186012  -0.170506
+    1SOL     H6    6  -0.003907  -0.191196  -0.223097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/246/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020812   0.079737  -0.048695
+    0SOL     H3    3  -0.075167  -0.037310  -0.046046
+    1SOL     O4    4   0.195397  -0.021035  -0.180107
+    1SOL     H5    5   0.287534  -0.046979  -0.180321
+    1SOL     H6    6   0.161231  -0.054516  -0.097197
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/247/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005137   0.095473  -0.004576
+    0SOL     H3    3  -0.066005  -0.030594  -0.062207
+    1SOL     O4    4  -0.010950  -0.169035   0.217221
+    1SOL     H5    5  -0.003084  -0.101586   0.149760
+    1SOL     H6    6  -0.105169  -0.183653   0.225671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/248/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004176  -0.093451  -0.020294
+    0SOL     H3    3  -0.064281   0.012285   0.069852
+    1SOL     O4    4   0.170395   0.032474   0.199241
+    1SOL     H5    5   0.146352   0.118945   0.232514
+    1SOL     H6    6   0.103874   0.012791   0.133288
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/249/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014328   0.092222  -0.021265
+    0SOL     H3    3  -0.056060  -0.016119   0.075894
+    1SOL     O4    4   0.259298   0.033240   0.039681
+    1SOL     H5    5   0.169568   0.001522   0.049920
+    1SOL     H6    6   0.252331   0.105075  -0.023196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/250/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084722  -0.043374   0.010157
+    0SOL     H3    3   0.058321  -0.046999   0.059599
+    1SOL     O4    4   0.216242  -0.080881   0.163942
+    1SOL     H5    5   0.284474  -0.054514   0.102204
+    1SOL     H6    6   0.214811  -0.011050   0.229392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/251/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090957  -0.025385   0.015643
+    0SOL     H3    3   0.005250   0.067775  -0.067389
+    1SOL     O4    4   0.105458   0.306458   0.139853
+    1SOL     H5    5   0.013601   0.307686   0.112963
+    1SOL     H6    6   0.153689   0.333629   0.061765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/252/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051690   0.033563   0.073239
+    0SOL     H3    3   0.000494   0.070965  -0.064235
+    1SOL     O4    4   0.182288   0.032937   0.200212
+    1SOL     H5    5   0.272117   0.010357   0.176064
+    1SOL     H6    6   0.161094  -0.026562   0.272135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/253/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005887  -0.054278   0.078623
+    0SOL     H3    3  -0.093956   0.011331  -0.014360
+    1SOL     O4    4   0.059006   0.203534   0.167239
+    1SOL     H5    5   0.055004   0.295367   0.140537
+    1SOL     H6    6   0.048942   0.154379   0.085723
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/254/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088966  -0.003713   0.035123
+    0SOL     H3    3   0.054040   0.026823   0.074314
+    1SOL     O4    4   0.008253  -0.284329  -0.034304
+    1SOL     H5    5  -0.081522  -0.305864  -0.009023
+    1SOL     H6    6   0.007396  -0.189520  -0.047448
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/255/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018894   0.013976  -0.092790
+    0SOL     H3    3  -0.044598  -0.081922   0.021499
+    1SOL     O4    4   0.181111   0.132764   0.248895
+    1SOL     H5    5   0.227589   0.199938   0.198996
+    1SOL     H6    6   0.188682   0.053674   0.195512
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/256/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095042   0.001995   0.011196
+    0SOL     H3    3   0.033868  -0.023223   0.086464
+    1SOL     O4    4   0.307815   0.081168  -0.138182
+    1SOL     H5    5   0.383910   0.116236  -0.184466
+    1SOL     H6    6   0.307666  -0.012148  -0.159498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/257/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078406  -0.000457  -0.054905
+    0SOL     H3    3  -0.012854   0.092093   0.022715
+    1SOL     O4    4  -0.174514  -0.099543  -0.209625
+    1SOL     H5    5  -0.132572  -0.041029  -0.146544
+    1SOL     H6    6  -0.132532  -0.078875  -0.293127
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/258/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080472   0.033940   0.039174
+    0SOL     H3    3   0.017656  -0.092976  -0.014355
+    1SOL     O4    4   0.213695  -0.031379   0.161736
+    1SOL     H5    5   0.309131  -0.027811   0.155283
+    1SOL     H6    6   0.196845  -0.087175   0.237665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/259/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090546   0.015970  -0.026622
+    0SOL     H3    3   0.010738   0.050942   0.080324
+    1SOL     O4    4   0.035037  -0.251765  -0.057247
+    1SOL     H5    5   0.054196  -0.160200  -0.036971
+    1SOL     H6    6   0.108088  -0.279945  -0.112307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/260/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002403  -0.092980   0.022613
+    0SOL     H3    3   0.005140   0.045308   0.084161
+    1SOL     O4    4   0.077169  -0.121440   0.290827
+    1SOL     H5    5  -0.018219  -0.125047   0.297924
+    1SOL     H6    6   0.108121  -0.192434   0.347079
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/261/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036690  -0.068582  -0.055791
+    0SOL     H3    3  -0.073869   0.029858   0.053050
+    1SOL     O4    4  -0.082635  -0.197792  -0.157364
+    1SOL     H5    5  -0.057179  -0.289942  -0.162129
+    1SOL     H6    6  -0.142082  -0.185459  -0.231367
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/262/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002043   0.092240  -0.025496
+    0SOL     H3    3  -0.018388  -0.047683  -0.080935
+    1SOL     O4    4  -0.042210  -0.215716  -0.198515
+    1SOL     H5    5  -0.024561  -0.286106  -0.136096
+    1SOL     H6    6   0.040091  -0.204665  -0.246126
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/263/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060504  -0.066670   0.032508
+    0SOL     H3    3  -0.030177   0.081451   0.040217
+    1SOL     O4    4  -0.182575  -0.059545  -0.196379
+    1SOL     H5    5  -0.258375  -0.045508  -0.139638
+    1SOL     H6    6  -0.107577  -0.032657  -0.143326
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/264/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018829   0.062856   0.069692
+    0SOL     H3    3   0.062421  -0.061157   0.039062
+    1SOL     O4    4  -0.056049   0.189590   0.210351
+    1SOL     H5    5  -0.148025   0.180784   0.235355
+    1SOL     H6    6  -0.056498   0.253941   0.139493
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/265/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078526   0.019940   0.050974
+    0SOL     H3    3  -0.071537   0.004308   0.063453
+    1SOL     O4    4   0.096036  -0.155843  -0.236632
+    1SOL     H5    5   0.007791  -0.140781  -0.202746
+    1SOL     H6    6   0.153943  -0.131819  -0.164299
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/266/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077915   0.019467   0.052083
+    0SOL     H3    3  -0.000484  -0.095407  -0.007722
+    1SOL     O4    4   0.198720   0.015816   0.180646
+    1SOL     H5    5   0.287616  -0.007944   0.154276
+    1SOL     H6    6   0.210130   0.091725   0.237830
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012221  -0.094906  -0.002410
+    0SOL     H3    3   0.074307   0.032482   0.050851
+    1SOL     O4    4  -0.105838   0.197960  -0.152249
+    1SOL     H5    5  -0.077957   0.287187  -0.131671
+    1SOL     H6    6  -0.069880   0.144630  -0.081360
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095005   0.009180  -0.007212
+    0SOL     H3    3   0.034562   0.084220  -0.029577
+    1SOL     O4    4  -0.139193  -0.345637   0.083117
+    1SOL     H5    5  -0.043506  -0.343284   0.082248
+    1SOL     H6    6  -0.163639  -0.361473  -0.008064
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073678  -0.024341  -0.056048
+    0SOL     H3    3  -0.016941   0.091192   0.023652
+    1SOL     O4    4  -0.085893  -0.215057   0.148626
+    1SOL     H5    5  -0.176873  -0.185414   0.151159
+    1SOL     H6    6  -0.039921  -0.147227   0.099149
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068587  -0.014477  -0.065181
+    0SOL     H3    3  -0.013370  -0.069267   0.064696
+    1SOL     O4    4  -0.018430  -0.181831   0.218832
+    1SOL     H5    5  -0.105883  -0.151257   0.242906
+    1SOL     H6    6  -0.033748  -0.263864   0.171948
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048833   0.028760  -0.077140
+    0SOL     H3    3  -0.025805   0.061196   0.068931
+    1SOL     O4    4  -0.034892   0.152888   0.219259
+    1SOL     H5    5  -0.011875   0.235712   0.177154
+    1SOL     H6    6  -0.130022   0.156634   0.229182
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004153  -0.054054  -0.078887
+    0SOL     H3    3  -0.060115  -0.042332   0.061290
+    1SOL     O4    4  -0.067023   0.279770   0.017848
+    1SOL     H5    5   0.003651   0.313283   0.073024
+    1SOL     H6    6  -0.046738   0.186897   0.006644
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091066   0.005621   0.028942
+    0SOL     H3    3  -0.051124   0.003237   0.080859
+    1SOL     O4    4   0.157482   0.088025   0.251363
+    1SOL     H5    5   0.156791   0.000187   0.289394
+    1SOL     H6    6   0.237460   0.128228   0.285269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/274/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082073  -0.016713   0.046337
+    0SOL     H3    3   0.015668  -0.079738  -0.050584
+    1SOL     O4    4  -0.027704   0.258136  -0.042418
+    1SOL     H5    5  -0.016868   0.163610  -0.052887
+    1SOL     H6    6  -0.008771   0.294202  -0.129039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/275/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004695  -0.067719  -0.067486
+    0SOL     H3    3   0.070073  -0.022289   0.061280
+    1SOL     O4    4   0.098010   0.151115  -0.345531
+    1SOL     H5    5   0.138026   0.225114  -0.391194
+    1SOL     H6    6   0.163544   0.124408  -0.281076
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056415  -0.008408   0.076870
+    0SOL     H3    3   0.018295   0.087697  -0.033718
+    1SOL     O4    4  -0.222371   0.010195   0.164810
+    1SOL     H5    5  -0.153436   0.001043   0.099034
+    1SOL     H6    6  -0.189196   0.076579   0.225265
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/277/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034379   0.087697  -0.017018
+    0SOL     H3    3  -0.033597  -0.053342  -0.072029
+    1SOL     O4    4  -0.081401  -0.149268  -0.214934
+    1SOL     H5    5  -0.169147  -0.122114  -0.241870
+    1SOL     H6    6  -0.040343  -0.180986  -0.295373
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057176   0.002038  -0.076740
+    0SOL     H3    3   0.088029   0.012902  -0.035310
+    1SOL     O4    4   0.271641   0.046586  -0.023587
+    1SOL     H5    5   0.290421   0.129670   0.020078
+    1SOL     H6    6   0.333367   0.043397  -0.096677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/279/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085317  -0.015985  -0.040345
+    0SOL     H3    3  -0.063397  -0.025280  -0.067112
+    1SOL     O4    4   0.003735   0.240118   0.170661
+    1SOL     H5    5  -0.008482   0.328825   0.136837
+    1SOL     H6    6   0.005610   0.184723   0.092621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/280/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001014   0.038584   0.087593
+    0SOL     H3    3   0.038361  -0.086924   0.011620
+    1SOL     O4    4  -0.273739   0.113453   0.137728
+    1SOL     H5    5  -0.277639   0.184320   0.073502
+    1SOL     H6    6  -0.235550   0.153789   0.215682
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/281/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070034   0.060838  -0.023585
+    0SOL     H3    3   0.003530  -0.061950  -0.072884
+    1SOL     O4    4  -0.014059   0.395976   0.066475
+    1SOL     H5    5  -0.066470   0.345161   0.128388
+    1SOL     H6    6   0.070408   0.351017   0.063975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/282/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042195  -0.082926   0.022478
+    0SOL     H3    3  -0.041705  -0.016443  -0.084573
+    1SOL     O4    4   0.013001   0.221971   0.195368
+    1SOL     H5    5   0.055221   0.190306   0.275225
+    1SOL     H6    6   0.001513   0.143613   0.141606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/283/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047158   0.054299  -0.063167
+    0SOL     H3    3  -0.056961  -0.002325   0.076892
+    1SOL     O4    4  -0.161148   0.086295  -0.215690
+    1SOL     H5    5  -0.246261   0.107395  -0.177310
+    1SOL     H6    6  -0.150142   0.150085  -0.286203
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/284/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043333  -0.009534   0.084815
+    0SOL     H3    3   0.090819  -0.025359   0.016466
+    1SOL     O4    4  -0.176273   0.013017   0.212537
+    1SOL     H5    5  -0.233967   0.031095   0.138329
+    1SOL     H6    6  -0.224282  -0.050840   0.265261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/285/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034584  -0.031639   0.083458
+    0SOL     H3    3   0.069689  -0.017811  -0.063155
+    1SOL     O4    4  -0.142956  -0.140268  -0.266349
+    1SOL     H5    5  -0.161922  -0.210302  -0.203915
+    1SOL     H6    6  -0.055376  -0.160512  -0.299245
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/286/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088851  -0.018717   0.030289
+    0SOL     H3    3  -0.056379  -0.028583   0.071880
+    1SOL     O4    4  -0.082115  -0.203813  -0.161434
+    1SOL     H5    5  -0.044172  -0.145859  -0.095373
+    1SOL     H6    6  -0.079010  -0.290822  -0.121659
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/287/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006642  -0.090835  -0.029447
+    0SOL     H3    3   0.033307   0.051540  -0.073462
+    1SOL     O4    4   0.050021   0.122504  -0.243379
+    1SOL     H5    5  -0.008627   0.115739  -0.318725
+    1SOL     H6    6   0.135048   0.145083  -0.281102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/288/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034155   0.062046   0.064390
+    0SOL     H3    3  -0.004060  -0.084914   0.043994
+    1SOL     O4    4  -0.114099   0.065699   0.247494
+    1SOL     H5    5  -0.091952   0.035255   0.335500
+    1SOL     H6    6  -0.104348   0.160822   0.251844
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/289/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087586   0.031248  -0.022682
+    0SOL     H3    3  -0.011272  -0.079614  -0.051932
+    1SOL     O4    4  -0.207175   0.110356   0.159330
+    1SOL     H5    5  -0.125551   0.106643   0.109469
+    1SOL     H6    6  -0.212540   0.025322   0.202950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/290/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091626   0.006864   0.026832
+    0SOL     H3    3  -0.046499  -0.025481   0.079692
+    1SOL     O4    4   0.287874   0.010269   0.025283
+    1SOL     H5    5   0.353284  -0.009125   0.092423
+    1SOL     H6    6   0.299356  -0.058739  -0.040051
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/291/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003015  -0.095348   0.007875
+    0SOL     H3    3  -0.084057   0.023505  -0.039298
+    1SOL     O4    4  -0.233652   0.073152  -0.142049
+    1SOL     H5    5  -0.328957   0.064321  -0.140876
+    1SOL     H6    6  -0.218216   0.162687  -0.172174
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/292/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023244   0.068194   0.063021
+    0SOL     H3    3  -0.062201  -0.070712   0.017124
+    1SOL     O4    4   0.121927  -0.001729  -0.230832
+    1SOL     H5    5   0.083547  -0.016027  -0.144316
+    1SOL     H6    6   0.092475  -0.076517  -0.282809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/293/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053469   0.008374   0.078951
+    0SOL     H3    3  -0.050212  -0.058324  -0.056915
+    1SOL     O4    4   0.159204  -0.255729  -0.050746
+    1SOL     H5    5   0.199116  -0.254532  -0.137740
+    1SOL     H6    6   0.118004  -0.169767  -0.042060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/294/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008429   0.094054  -0.015654
+    0SOL     H3    3  -0.038310  -0.006430   0.087483
+    1SOL     O4    4   0.143957  -0.248310   0.070514
+    1SOL     H5    5   0.236226  -0.273577   0.073728
+    1SOL     H6    6   0.124872  -0.238960  -0.022817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/295/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089685   0.009595   0.032044
+    0SOL     H3    3  -0.053169  -0.007169   0.079271
+    1SOL     O4    4   0.181992  -0.067881   0.276339
+    1SOL     H5    5   0.166365   0.024122   0.297638
+    1SOL     H6    6   0.109565  -0.114751   0.317810
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/296/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025812   0.088443  -0.025961
+    0SOL     H3    3  -0.026867  -0.042102  -0.081657
+    1SOL     O4    4   0.402393   0.041595   0.047028
+    1SOL     H5    5   0.387009   0.115555  -0.011757
+    1SOL     H6    6   0.342445   0.056226   0.120202
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039317   0.080299   0.034183
+    0SOL     H3    3  -0.064131  -0.033280  -0.062785
+    1SOL     O4    4  -0.194954  -0.045331  -0.188290
+    1SOL     H5    5  -0.151982  -0.028346  -0.272119
+    1SOL     H6    6  -0.196897  -0.140770  -0.181220
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/298/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000538  -0.062570   0.072436
+    0SOL     H3    3  -0.055269  -0.040875  -0.066610
+    1SOL     O4    4  -0.044529   0.226029   0.125300
+    1SOL     H5    5  -0.011951   0.307185   0.086379
+    1SOL     H6    6  -0.029603   0.159508   0.058109
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/299/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002305  -0.095419  -0.007221
+    0SOL     H3    3  -0.040700   0.029262  -0.081545
+    1SOL     O4    4   0.297080   0.029845  -0.084704
+    1SOL     H5    5   0.317051  -0.063041  -0.096350
+    1SOL     H6    6   0.218431   0.030826  -0.030155
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068632  -0.039075  -0.054084
+    0SOL     H3    3   0.018892   0.093827  -0.001342
+    1SOL     O4    4   0.030119   0.286775  -0.103238
+    1SOL     H5    5  -0.048635   0.274524  -0.156248
+    1SOL     H6    6  -0.000685   0.331681  -0.024518
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034518   0.053889  -0.071181
+    0SOL     H3    3  -0.040494  -0.085751  -0.013011
+    1SOL     O4    4  -0.136659   0.119032  -0.189015
+    1SOL     H5    5  -0.218504   0.126625  -0.139962
+    1SOL     H6    6  -0.159194   0.065611  -0.265177
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093275   0.018746  -0.010521
+    0SOL     H3    3   0.038341   0.020353  -0.085312
+    1SOL     O4    4   0.106176  -0.309719  -0.139708
+    1SOL     H5    5   0.094769  -0.260302  -0.220888
+    1SOL     H6    6   0.114873  -0.400735  -0.168037
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028825  -0.024802   0.087843
+    0SOL     H3    3   0.050755   0.080088   0.013116
+    1SOL     O4    4   0.126510  -0.231948  -0.069441
+    1SOL     H5    5   0.074532  -0.153211  -0.053283
+    1SOL     H6    6   0.066101  -0.292055  -0.113033
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056309   0.074876  -0.019627
+    0SOL     H3    3   0.081033   0.017740  -0.047762
+    1SOL     O4    4  -0.013138  -0.257586   0.209111
+    1SOL     H5    5   0.014975  -0.343018   0.241875
+    1SOL     H6    6  -0.044223  -0.274998   0.120270
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000113  -0.066921   0.068439
+    0SOL     H3    3   0.058155  -0.034866  -0.067562
+    1SOL     O4    4  -0.208053  -0.051909  -0.163923
+    1SOL     H5    5  -0.156030  -0.027002  -0.087533
+    1SOL     H6    6  -0.298771  -0.047200  -0.133750
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/306/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052492   0.022318  -0.076869
+    0SOL     H3    3   0.005433  -0.095553  -0.001568
+    1SOL     O4    4  -0.131917   0.069193  -0.212715
+    1SOL     H5    5  -0.061503   0.131108  -0.231966
+    1SOL     H6    6  -0.137883   0.014517  -0.291056
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/307/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093082  -0.003487  -0.022045
+    0SOL     H3    3  -0.044605   0.003147  -0.084634
+    1SOL     O4    4  -0.099425  -0.189777   0.184716
+    1SOL     H5    5  -0.080480  -0.178457   0.091574
+    1SOL     H6    6  -0.120692  -0.282665   0.193764
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/308/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091551  -0.017993  -0.021376
+    0SOL     H3    3   0.003932   0.068995   0.066231
+    1SOL     O4    4   0.246862  -0.007959  -0.062974
+    1SOL     H5    5   0.296903  -0.064355  -0.004002
+    1SOL     H6    6   0.296439   0.073875  -0.065738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/309/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000115   0.095718  -0.000661
+    0SOL     H3    3   0.052786  -0.024460  -0.076011
+    1SOL     O4    4   0.211263   0.067324   0.204344
+    1SOL     H5    5   0.189682   0.021688   0.123018
+    1SOL     H6    6   0.303930   0.048159   0.218755
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/310/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083078  -0.017535  -0.044191
+    0SOL     H3    3  -0.017571  -0.079417   0.050463
+    1SOL     O4    4   0.220600  -0.023233  -0.159971
+    1SOL     H5    5   0.204982   0.023818  -0.241852
+    1SOL     H6    6   0.298586  -0.076019  -0.177124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/311/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084541  -0.036095  -0.026690
+    0SOL     H3    3  -0.059791  -0.024071  -0.070767
+    1SOL     O4    4  -0.026743  -0.132357   0.251109
+    1SOL     H5    5   0.045208  -0.193496   0.235381
+    1SOL     H6    6  -0.035927  -0.084411   0.168774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/312/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014324  -0.092055   0.021978
+    0SOL     H3    3  -0.008011   0.043923   0.084670
+    1SOL     O4    4   0.279087   0.018497   0.001854
+    1SOL     H5    5   0.184447   0.022524  -0.011903
+    1SOL     H6    6   0.295122   0.077227   0.075719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/313/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085681  -0.005162   0.042361
+    0SOL     H3    3  -0.008955  -0.053507  -0.078862
+    1SOL     O4    4  -0.253391  -0.001372   0.102544
+    1SOL     H5    5  -0.326911   0.053125   0.074486
+    1SOL     H6    6  -0.287135  -0.050475   0.177461
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/314/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002120   0.093256  -0.021474
+    0SOL     H3    3   0.070436  -0.011548   0.063779
+    1SOL     O4    4   0.017576   0.270219   0.031531
+    1SOL     H5    5   0.013729   0.346141  -0.026636
+    1SOL     H6    6   0.078402   0.296087   0.100765
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/315/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044848  -0.076658   0.035700
+    0SOL     H3    3   0.044508  -0.032516  -0.078256
+    1SOL     O4    4   0.090916  -0.177801  -0.186457
+    1SOL     H5    5   0.014094  -0.192374  -0.241668
+    1SOL     H6    6   0.165431  -0.195768  -0.243790
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/316/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051112   0.045223  -0.067117
+    0SOL     H3    3   0.060659   0.066399   0.032772
+    1SOL     O4    4  -0.167367   0.062716  -0.197823
+    1SOL     H5    5  -0.147882   0.153346  -0.221673
+    1SOL     H6    6  -0.134241   0.010938  -0.271199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/317/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016460  -0.084328   0.042192
+    0SOL     H3    3  -0.006534   0.063985   0.070891
+    1SOL     O4    4   0.278544  -0.086433   0.061669
+    1SOL     H5    5   0.312944  -0.162528   0.014888
+    1SOL     H6    6   0.185883  -0.083488   0.037847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/318/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079139  -0.051973  -0.014075
+    0SOL     H3    3  -0.036623   0.012154  -0.087597
+    1SOL     O4    4  -0.157682   0.012424  -0.222165
+    1SOL     H5    5  -0.222807  -0.056518  -0.209204
+    1SOL     H6    6  -0.127500   0.000309  -0.312191
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/319/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003048   0.095660   0.001503
+    0SOL     H3    3   0.003057  -0.025366   0.092247
+    1SOL     O4    4   0.212753   0.216425   0.256176
+    1SOL     H5    5   0.291498   0.216910   0.310595
+    1SOL     H6    6   0.212726   0.301976   0.213242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/320/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011241  -0.094640  -0.008897
+    0SOL     H3    3  -0.041100   0.021277   0.083788
+    1SOL     O4    4  -0.195791   0.105919  -0.151500
+    1SOL     H5    5  -0.124969   0.078505  -0.093232
+    1SOL     H6    6  -0.194865   0.201532  -0.147065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/321/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060382  -0.030231  -0.067841
+    0SOL     H3    3  -0.008086  -0.074318   0.059781
+    1SOL     O4    4  -0.234159  -0.045733  -0.150845
+    1SOL     H5    5  -0.192061  -0.016591  -0.069969
+    1SOL     H6    6  -0.196286   0.009818  -0.218978
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/322/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075916   0.058068  -0.005216
+    0SOL     H3    3  -0.009293  -0.044125   0.084433
+    1SOL     O4    4  -0.039964  -0.122298   0.231221
+    1SOL     H5    5   0.021481  -0.070269   0.282987
+    1SOL     H6    6  -0.035106  -0.210011   0.269236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/323/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003446   0.075623  -0.058580
+    0SOL     H3    3  -0.013864   0.037594   0.086930
+    1SOL     O4    4  -0.257227  -0.104557  -0.048278
+    1SOL     H5    5  -0.175227  -0.059066  -0.029072
+    1SOL     H6    6  -0.256067  -0.117081  -0.143168
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/324/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010381   0.065050   0.069448
+    0SOL     H3    3  -0.088254  -0.034232  -0.014205
+    1SOL     O4    4   0.164271   0.124731  -0.190526
+    1SOL     H5    5   0.236134   0.075695  -0.230445
+    1SOL     H6    6   0.128725   0.065526  -0.124242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/325/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015986  -0.094348   0.002288
+    0SOL     H3    3  -0.039475   0.029042  -0.082223
+    1SOL     O4    4  -0.130092  -0.298066   0.040044
+    1SOL     H5    5  -0.214920  -0.260505   0.016469
+    1SOL     H6    6  -0.147414  -0.391589   0.050806
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/326/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072688   0.034195  -0.052052
+    0SOL     H3    3   0.068846  -0.018197  -0.063964
+    1SOL     O4    4   0.060569   0.185983   0.184590
+    1SOL     H5    5   0.041002   0.124215   0.114133
+    1SOL     H6    6   0.096467   0.262687   0.139979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/327/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056795  -0.041312  -0.065038
+    0SOL     H3    3  -0.030648   0.090567   0.004556
+    1SOL     O4    4  -0.349381   0.007566  -0.058974
+    1SOL     H5    5  -0.278706   0.014083  -0.123199
+    1SOL     H6    6  -0.429470   0.007017  -0.111393
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/328/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042280   0.084383  -0.015945
+    0SOL     H3    3  -0.032558   0.006060   0.089809
+    1SOL     O4    4  -0.086394   0.078978   0.251499
+    1SOL     H5    5  -0.033558   0.036408   0.319016
+    1SOL     H6    6  -0.176663   0.056219   0.273767
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/329/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091693   0.013651   0.023840
+    0SOL     H3    3  -0.007614  -0.094535  -0.012941
+    1SOL     O4    4  -0.098990   0.210614   0.216043
+    1SOL     H5    5  -0.120519   0.286513   0.270248
+    1SOL     H6    6  -0.030566   0.241986   0.156913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/330/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075467  -0.042987   0.040239
+    0SOL     H3    3   0.038323  -0.066920  -0.056704
+    1SOL     O4    4   0.024694   0.249275   0.099474
+    1SOL     H5    5   0.043556   0.170564   0.048374
+    1SOL     H6    6   0.045937   0.321738   0.040651
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/331/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012075   0.086527   0.039111
+    0SOL     H3    3   0.009815  -0.060974   0.073131
+    1SOL     O4    4   0.206501  -0.052021  -0.174493
+    1SOL     H5    5   0.227527  -0.126722  -0.118458
+    1SOL     H6    6   0.128289  -0.013583  -0.134898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/332/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036100  -0.028953   0.083790
+    0SOL     H3    3  -0.049775  -0.048686  -0.065684
+    1SOL     O4    4   0.236255  -0.086452  -0.042858
+    1SOL     H5    5   0.154388  -0.046512  -0.013449
+    1SOL     H6    6   0.209096  -0.153421  -0.105626
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/333/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048115  -0.070825   0.042791
+    0SOL     H3    3  -0.038351   0.080085   0.035747
+    1SOL     O4    4  -0.199362  -0.065640  -0.206524
+    1SOL     H5    5  -0.242054   0.010497  -0.245804
+    1SOL     H6    6  -0.133312  -0.028577  -0.147992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/334/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003358   0.094285  -0.016165
+    0SOL     H3    3  -0.076615  -0.030019  -0.048901
+    1SOL     O4    4   0.043239  -0.395814  -0.017062
+    1SOL     H5    5  -0.019437  -0.376332  -0.086737
+    1SOL     H6    6   0.025785  -0.329838   0.050056
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000812  -0.088466  -0.036544
+    0SOL     H3    3  -0.092426   0.023808   0.007280
+    1SOL     O4    4   0.157308   0.119655   0.221647
+    1SOL     H5    5   0.073771   0.093969   0.182607
+    1SOL     H6    6   0.169544   0.058687   0.294418
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023567  -0.088197  -0.028777
+    0SOL     H3    3  -0.044615   0.010551   0.084027
+    1SOL     O4    4  -0.189428   0.015695   0.201813
+    1SOL     H5    5  -0.270395  -0.000348   0.153344
+    1SOL     H6    6  -0.180616  -0.060118   0.259581
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/337/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049149  -0.053213  -0.062571
+    0SOL     H3    3  -0.041840  -0.017343   0.084327
+    1SOL     O4    4  -0.081963  -0.167707  -0.205544
+    1SOL     H5    5  -0.027159  -0.239935  -0.174852
+    1SOL     H6    6  -0.021343  -0.109234  -0.251024
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011080   0.072203   0.061857
+    0SOL     H3    3   0.028407  -0.077583   0.048334
+    1SOL     O4    4   0.179772   0.034348  -0.200294
+    1SOL     H5    5   0.117015   0.029157  -0.128204
+    1SOL     H6    6   0.130451   0.073730  -0.272258
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083832   0.015525   0.043514
+    0SOL     H3    3  -0.065732   0.025263   0.064833
+    1SOL     O4    4   0.154437  -0.055979  -0.254577
+    1SOL     H5    5   0.135513  -0.146003  -0.281034
+    1SOL     H6    6   0.103251  -0.043173  -0.174713
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/340/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074094  -0.011136  -0.059568
+    0SOL     H3    3  -0.032183  -0.031469   0.084477
+    1SOL     O4    4   0.000725   0.121597  -0.349806
+    1SOL     H5    5  -0.028890   0.134264  -0.439944
+    1SOL     H6    6   0.002307   0.209716  -0.312457
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/341/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040886   0.078404  -0.036654
+    0SOL     H3    3   0.082193   0.031244   0.037820
+    1SOL     O4    4  -0.103241   0.229656  -0.112835
+    1SOL     H5    5  -0.120174   0.182615  -0.194460
+    1SOL     H6    6  -0.041132   0.298313  -0.137145
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/342/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010967  -0.090618  -0.028816
+    0SOL     H3    3   0.089602   0.022478  -0.025071
+    1SOL     O4    4   0.029624  -0.248323   0.293961
+    1SOL     H5    5   0.101378  -0.270580   0.234646
+    1SOL     H6    6  -0.049695  -0.266689   0.243628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/343/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092077  -0.016190  -0.020544
+    0SOL     H3    3   0.001871   0.090018   0.032490
+    1SOL     O4    4   0.043594   0.217912  -0.216072
+    1SOL     H5    5  -0.040221   0.200074  -0.258723
+    1SOL     H6    6   0.025493   0.208204  -0.122582
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/344/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092255   0.022177  -0.012627
+    0SOL     H3    3   0.047620   0.065346  -0.051230
+    1SOL     O4    4  -0.267576  -0.049089   0.015575
+    1SOL     H5    5  -0.276321  -0.125952   0.071947
+    1SOL     H6    6  -0.284983  -0.081918  -0.072638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/345/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092574   0.003753   0.024049
+    0SOL     H3    3  -0.044530  -0.027423   0.080171
+    1SOL     O4    4   0.103048   0.109066  -0.295358
+    1SOL     H5    5   0.090695   0.161784  -0.374292
+    1SOL     H6    6   0.138554   0.026086  -0.327233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/346/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036962  -0.008478   0.087888
+    0SOL     H3    3   0.040645  -0.070744  -0.050055
+    1SOL     O4    4   0.094598  -0.188845  -0.161529
+    1SOL     H5    5   0.188507  -0.205845  -0.154149
+    1SOL     H6    6   0.065456  -0.245660  -0.232839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/347/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015350   0.057317   0.075110
+    0SOL     H3    3  -0.011571  -0.088500   0.034586
+    1SOL     O4    4  -0.070603   0.139305   0.213816
+    1SOL     H5    5  -0.161653   0.131235   0.242224
+    1SOL     H6    6  -0.067644   0.222159   0.165974
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/348/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093963   0.016846   0.007037
+    0SOL     H3    3  -0.006609  -0.074589  -0.059625
+    1SOL     O4    4  -0.105705   0.156902  -0.191458
+    1SOL     H5    5  -0.043966   0.149758  -0.264256
+    1SOL     H6    6  -0.075607   0.091873  -0.127995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/349/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039220   0.083129   0.026715
+    0SOL     H3    3  -0.074426  -0.059132  -0.011251
+    1SOL     O4    4  -0.244886  -0.127338   0.006184
+    1SOL     H5    5  -0.214682  -0.209620   0.044652
+    1SOL     H6    6  -0.318938  -0.101049   0.060841
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075265   0.012983  -0.057697
+    0SOL     H3    3  -0.000771   0.076173   0.057960
+    1SOL     O4    4  -0.183646   0.083799  -0.186006
+    1SOL     H5    5  -0.185577   0.172910  -0.220905
+    1SOL     H6    6  -0.145565   0.031280  -0.256390
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/351/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004554  -0.074856   0.059482
+    0SOL     H3    3  -0.060842  -0.021733  -0.070627
+    1SOL     O4    4   0.233429   0.150683  -0.056134
+    1SOL     H5    5   0.309654   0.121069  -0.105885
+    1SOL     H6    6   0.170339   0.079132  -0.064031
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/352/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063574  -0.058502  -0.041209
+    0SOL     H3    3  -0.052277   0.054928   0.058415
+    1SOL     O4    4   0.017045   0.270134  -0.194812
+    1SOL     H5    5   0.018691   0.347903  -0.250594
+    1SOL     H6    6   0.053334   0.200533  -0.249594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/353/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025477   0.023065   0.089338
+    0SOL     H3    3  -0.033883  -0.088647  -0.012489
+    1SOL     O4    4  -0.089248   0.191760  -0.160167
+    1SOL     H5    5  -0.023410   0.196513  -0.229485
+    1SOL     H6    6  -0.063245   0.116171  -0.107513
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/354/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017083   0.092266  -0.018908
+    0SOL     H3    3  -0.030046  -0.046466  -0.078106
+    1SOL     O4    4   0.262351  -0.015694   0.090767
+    1SOL     H5    5   0.184775  -0.025450   0.035548
+    1SOL     H6    6   0.277485   0.078752   0.094420
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/355/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036428  -0.025049  -0.084899
+    0SOL     H3    3   0.020359   0.093082  -0.009142
+    1SOL     O4    4   0.028703  -0.241951   0.148649
+    1SOL     H5    5   0.061228  -0.305283   0.084669
+    1SOL     H6    6   0.039408  -0.156985   0.105889
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/356/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091972  -0.016214   0.020989
+    0SOL     H3    3  -0.047578  -0.026150   0.078834
+    1SOL     O4    4   0.261853  -0.059808   0.052558
+    1SOL     H5    5   0.260105  -0.152034   0.078123
+    1SOL     H6    6   0.307723  -0.059058  -0.031453
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/357/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038224   0.048373  -0.073221
+    0SOL     H3    3  -0.069297  -0.002360   0.065990
+    1SOL     O4    4  -0.012677  -0.238449  -0.160498
+    1SOL     H5    5   0.045102  -0.236130  -0.236777
+    1SOL     H6    6   0.009384  -0.159378  -0.111269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/358/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036564  -0.087145  -0.015204
+    0SOL     H3    3   0.023260   0.049792  -0.078371
+    1SOL     O4    4   0.073668  -0.267965   0.022507
+    1SOL     H5    5   0.070405  -0.343837  -0.035760
+    1SOL     H6    6   0.012478  -0.289184   0.092990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/359/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052916   0.013438   0.078624
+    0SOL     H3    3   0.032763   0.087189  -0.022068
+    1SOL     O4    4  -0.109269  -0.064050   0.231355
+    1SOL     H5    5  -0.091641  -0.156753   0.247410
+    1SOL     H6    6  -0.204131  -0.055640   0.240990
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/360/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036865  -0.018382  -0.086403
+    0SOL     H3    3   0.094727  -0.005249  -0.012713
+    1SOL     O4    4   0.130533   0.081062  -0.399617
+    1SOL     H5    5   0.189362   0.097180  -0.473384
+    1SOL     H6    6   0.164646   0.136223  -0.329219
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/361/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061626  -0.072238   0.012092
+    0SOL     H3    3  -0.053575   0.078890   0.008274
+    1SOL     O4    4  -0.128362   0.216644   0.055228
+    1SOL     H5    5  -0.088930   0.240621   0.139088
+    1SOL     H6    6  -0.216396   0.186610   0.077817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/362/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055699   0.039287   0.067204
+    0SOL     H3    3  -0.083711  -0.014960   0.043944
+    1SOL     O4    4   0.139737   0.118616   0.206859
+    1SOL     H5    5   0.108066   0.076240   0.286631
+    1SOL     H6    6   0.106886   0.208334   0.212679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/363/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082367   0.033677  -0.035268
+    0SOL     H3    3  -0.008736   0.042506   0.085318
+    1SOL     O4    4   0.076040  -0.256084   0.106000
+    1SOL     H5    5   0.146844  -0.218203   0.158097
+    1SOL     H6    6   0.021239  -0.181348   0.082044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/364/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038491   0.081125  -0.033160
+    0SOL     H3    3   0.070327   0.028833   0.058182
+    1SOL     O4    4   0.131344  -0.250834  -0.032795
+    1SOL     H5    5   0.218157  -0.213845  -0.048848
+    1SOL     H6    6   0.072057  -0.175832  -0.037503
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/365/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026676  -0.053667  -0.074636
+    0SOL     H3    3  -0.082171   0.040517  -0.027725
+    1SOL     O4    4   0.232789  -0.081418  -0.166593
+    1SOL     H5    5   0.268603  -0.118336  -0.247319
+    1SOL     H6    6   0.246230   0.012950  -0.175331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/366/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046483  -0.072451  -0.041862
+    0SOL     H3    3   0.020580   0.076199  -0.054153
+    1SOL     O4    4   0.114413  -0.071114   0.242020
+    1SOL     H5    5   0.043254  -0.132008   0.222255
+    1SOL     H6    6   0.108121  -0.003985   0.174076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/367/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034052   0.040868  -0.079578
+    0SOL     H3    3  -0.000182   0.070247   0.065021
+    1SOL     O4    4  -0.107639   0.147704  -0.208196
+    1SOL     H5    5  -0.195977   0.153307  -0.171764
+    1SOL     H6    6  -0.104664   0.062074  -0.250868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/368/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024360   0.091428  -0.014487
+    0SOL     H3    3   0.083484  -0.045898   0.009278
+    1SOL     O4    4  -0.213215  -0.080332  -0.143487
+    1SOL     H5    5  -0.295353  -0.034300  -0.126259
+    1SOL     H6    6  -0.148079  -0.033575  -0.091204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/369/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052374   0.035092  -0.072026
+    0SOL     H3    3  -0.063515  -0.017985   0.069316
+    1SOL     O4    4   0.189948   0.183776  -0.002189
+    1SOL     H5    5   0.201860   0.236813   0.076598
+    1SOL     H6    6   0.124935   0.118081   0.022708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/370/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080708   0.015689   0.049014
+    0SOL     H3    3  -0.029467  -0.033768  -0.084580
+    1SOL     O4    4   0.232068  -0.034865   0.176529
+    1SOL     H5    5   0.150883  -0.002992   0.137090
+    1SOL     H6    6   0.299951  -0.013047   0.112669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/371/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027121  -0.027062  -0.087718
+    0SOL     H3    3  -0.036190  -0.079337   0.039475
+    1SOL     O4    4  -0.115481   0.005017   0.293206
+    1SOL     H5    5  -0.180345  -0.046025   0.244734
+    1SOL     H6    6  -0.050358  -0.059311   0.321192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/372/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034160   0.077532  -0.044545
+    0SOL     H3    3  -0.093895   0.016585   0.008431
+    1SOL     O4    4  -0.259258   0.087262   0.024623
+    1SOL     H5    5  -0.312631   0.038427  -0.038058
+    1SOL     H6    6  -0.302684   0.172242   0.032040
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/373/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019710  -0.092013   0.017531
+    0SOL     H3    3   0.085206   0.039831  -0.017771
+    1SOL     O4    4   0.067156  -0.251668   0.027107
+    1SOL     H5    5   0.027137  -0.312437  -0.035086
+    1SOL     H6    6   0.071449  -0.300708   0.109198
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/374/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055622  -0.024037   0.074099
+    0SOL     H3    3  -0.006766  -0.080133  -0.051916
+    1SOL     O4    4   0.198714   0.232383   0.101220
+    1SOL     H5    5   0.259113   0.277769   0.159995
+    1SOL     H6    6   0.131425   0.297410   0.081071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/375/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045969   0.080572   0.023607
+    0SOL     H3    3  -0.061893  -0.047600  -0.055369
+    1SOL     O4    4   0.111711  -0.061153   0.222408
+    1SOL     H5    5   0.147804   0.007784   0.278151
+    1SOL     H6    6   0.073577  -0.014413   0.148087
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/376/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000659   0.091749   0.027277
+    0SOL     H3    3   0.091558  -0.027354   0.005581
+    1SOL     O4    4  -0.083812   0.281589   0.024632
+    1SOL     H5    5  -0.139881   0.283438  -0.052925
+    1SOL     H6    6  -0.143317   0.298511   0.097674
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071154   0.062947   0.011711
+    0SOL     H3    3   0.023750  -0.026197   0.088949
+    1SOL     O4    4  -0.145360   0.137652  -0.318357
+    1SOL     H5    5  -0.098682   0.054258  -0.312978
+    1SOL     H6    6  -0.237381   0.113078  -0.327873
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018565   0.010911   0.093266
+    0SOL     H3    3   0.083777  -0.046231  -0.002546
+    1SOL     O4    4   0.253490  -0.102302  -0.046097
+    1SOL     H5    5   0.217512  -0.123229  -0.132295
+    1SOL     H6    6   0.276964  -0.009676  -0.051733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/379/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012028   0.051144  -0.080012
+    0SOL     H3    3  -0.032677  -0.084699  -0.030342
+    1SOL     O4    4   0.089194   0.213226  -0.173856
+    1SOL     H5    5   0.071127   0.303673  -0.148259
+    1SOL     H6    6   0.098869   0.216693  -0.269023
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/380/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060852  -0.053165   0.051310
+    0SOL     H3    3   0.067687  -0.061512  -0.028231
+    1SOL     O4    4  -0.220795  -0.072312   0.113453
+    1SOL     H5    5  -0.277715  -0.049507   0.039952
+    1SOL     H6    6  -0.224455  -0.167858   0.117896
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017614   0.050385   0.079457
+    0SOL     H3    3  -0.014094   0.066151  -0.067733
+    1SOL     O4    4   0.016569   0.093944   0.289920
+    1SOL     H5    5   0.078040   0.081567   0.362241
+    1SOL     H6    6  -0.064486   0.052883   0.320024
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076959   0.056827  -0.003212
+    0SOL     H3    3   0.029723  -0.082809  -0.037703
+    1SOL     O4    4  -0.092780  -0.045057   0.284443
+    1SOL     H5    5  -0.061482  -0.075481   0.199255
+    1SOL     H6    6  -0.122858   0.044390   0.268414
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016510   0.059698   0.072979
+    0SOL     H3    3   0.083600  -0.004927  -0.046359
+    1SOL     O4    4   0.269627   0.043227  -0.074012
+    1SOL     H5    5   0.304224   0.098084  -0.003612
+    1SOL     H6    6   0.328484   0.058974  -0.147837
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006034  -0.055254  -0.077929
+    0SOL     H3    3   0.066135  -0.035216   0.059568
+    1SOL     O4    4  -0.205871   0.298080  -0.047695
+    1SOL     H5    5  -0.204225   0.288266  -0.142897
+    1SOL     H6    6  -0.114695   0.286795  -0.020826
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059971   0.043983   0.060260
+    0SOL     H3    3   0.057084  -0.041245  -0.064828
+    1SOL     O4    4   0.167903  -0.129574  -0.174975
+    1SOL     H5    5   0.194281  -0.193760  -0.109045
+    1SOL     H6    6   0.118518  -0.180275  -0.239418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/386/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022049   0.089295   0.026505
+    0SOL     H3    3   0.084547  -0.044042  -0.008627
+    1SOL     O4    4   0.007174   0.245336   0.058073
+    1SOL     H5    5   0.069710   0.311476   0.087688
+    1SOL     H6    6  -0.074508   0.267906   0.102581
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/387/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079358  -0.049058  -0.021398
+    0SOL     H3    3  -0.041571   0.016491  -0.084630
+    1SOL     O4    4  -0.169756  -0.248335  -0.225525
+    1SOL     H5    5  -0.205650  -0.311777  -0.163484
+    1SOL     H6    6  -0.075205  -0.263011  -0.222856
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074487   0.019371   0.056910
+    0SOL     H3    3  -0.018925   0.047085  -0.081161
+    1SOL     O4    4  -0.112667   0.133721  -0.203495
+    1SOL     H5    5  -0.064767   0.215175  -0.188225
+    1SOL     H6    6  -0.204433   0.156763  -0.188990
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049177  -0.044278  -0.069162
+    0SOL     H3    3   0.022809  -0.047556   0.079878
+    1SOL     O4    4  -0.177859   0.293698  -0.178486
+    1SOL     H5    5  -0.199656   0.374324  -0.225248
+    1SOL     H6    6  -0.141755   0.235954  -0.245751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/390/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061292   0.012494   0.072454
+    0SOL     H3    3   0.064777  -0.061859   0.033759
+    1SOL     O4    4  -0.233631  -0.262711   0.059887
+    1SOL     H5    5  -0.263483  -0.352515   0.074251
+    1SOL     H6    6  -0.139490  -0.270867   0.044616
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007503  -0.048557   0.082148
+    0SOL     H3    3  -0.088287  -0.019498  -0.031425
+    1SOL     O4    4   0.205663  -0.118962  -0.173497
+    1SOL     H5    5   0.138763  -0.100818  -0.107486
+    1SOL     H6    6   0.194069  -0.050110  -0.238974
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019575   0.034242  -0.087216
+    0SOL     H3    3  -0.094810   0.009724   0.008877
+    1SOL     O4    4  -0.144728   0.225669  -0.182485
+    1SOL     H5    5  -0.183674   0.214663  -0.269228
+    1SOL     H6    6  -0.050958   0.212438  -0.196425
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057306   0.070961   0.029032
+    0SOL     H3    3   0.012773  -0.003909  -0.094783
+    1SOL     O4    4   0.177812  -0.212699  -0.010045
+    1SOL     H5    5   0.183186  -0.308254  -0.008428
+    1SOL     H6    6   0.085058  -0.194123  -0.024667
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/394/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095362  -0.006538   0.005066
+    0SOL     H3    3  -0.015963   0.081016  -0.048415
+    1SOL     O4    4  -0.031244  -0.280654   0.178972
+    1SOL     H5    5   0.046097  -0.240599   0.218675
+    1SOL     H6    6  -0.032955  -0.369633   0.214215
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024172   0.089098   0.025288
+    0SOL     H3    3  -0.004986   0.002690  -0.095552
+    1SOL     O4    4  -0.014375   0.249466  -0.144701
+    1SOL     H5    5   0.062539   0.277228  -0.094943
+    1SOL     H6    6  -0.070403   0.327023  -0.147534
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/396/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092567  -0.019737  -0.014286
+    0SOL     H3    3  -0.000974   0.091509   0.028062
+    1SOL     O4    4   0.099865  -0.110747  -0.331608
+    1SOL     H5    5   0.189986  -0.141806  -0.340310
+    1SOL     H6    6   0.068163  -0.151373  -0.250942
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062186   0.033968  -0.064354
+    0SOL     H3    3  -0.011058   0.056711   0.076315
+    1SOL     O4    4  -0.137542  -0.229866   0.067514
+    1SOL     H5    5  -0.106977  -0.140770   0.050486
+    1SOL     H6    6  -0.195630  -0.249756  -0.005920
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/398/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015609  -0.092862  -0.017186
+    0SOL     H3    3   0.059686   0.000857   0.074828
+    1SOL     O4    4   0.188065   0.081271   0.171192
+    1SOL     H5    5   0.264962   0.107304   0.120483
+    1SOL     H6    6   0.179133   0.149340   0.237894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/399/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054154   0.033803   0.071323
+    0SOL     H3    3  -0.049385  -0.071923   0.039377
+    1SOL     O4    4   0.122317   0.166690  -0.182722
+    1SOL     H5    5   0.059189   0.124897  -0.124152
+    1SOL     H6    6   0.133464   0.104295  -0.254451
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/400/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005821  -0.095541   0.000599
+    0SOL     H3    3   0.092138   0.018315  -0.018369
+    1SOL     O4    4  -0.071484  -0.264009   0.039751
+    1SOL     H5    5  -0.024008  -0.320354   0.100854
+    1SOL     H6    6  -0.162785  -0.291671   0.047588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/401/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043328   0.085258   0.004011
+    0SOL     H3    3  -0.065215  -0.061653   0.033290
+    1SOL     O4    4   0.148238   0.128422  -0.276919
+    1SOL     H5    5   0.182993   0.163731  -0.358820
+    1SOL     H6    6   0.102732   0.048267  -0.302739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/402/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082831   0.047965   0.000797
+    0SOL     H3    3  -0.025473  -0.091714  -0.010101
+    1SOL     O4    4  -0.131221  -0.063336  -0.337143
+    1SOL     H5    5  -0.157647  -0.152214  -0.313381
+    1SOL     H6    6  -0.164497  -0.008582  -0.266030
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/403/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049264   0.081118   0.012460
+    0SOL     H3    3   0.058762  -0.056258  -0.050442
+    1SOL     O4    4   0.134484   0.247952  -0.007815
+    1SOL     H5    5   0.134746   0.289019  -0.094278
+    1SOL     H6    6   0.218024   0.273648   0.031211
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/404/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000754  -0.092991  -0.022680
+    0SOL     H3    3  -0.091068   0.027819  -0.009748
+    1SOL     O4    4   0.084140   0.229784   0.223031
+    1SOL     H5    5  -0.001308   0.203964   0.257590
+    1SOL     H6    6   0.141211   0.232665   0.299822
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/405/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.029814   0.070268   0.057757
+    0SOL     H3    3   0.089744   0.024188  -0.022875
+    1SOL     O4    4   0.037265   0.215881   0.184883
+    1SOL     H5    5  -0.046990   0.205585   0.229127
+    1SOL     H6    6   0.101675   0.184355   0.248284
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/406/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095626   0.001245   0.004048
+    0SOL     H3    3   0.020799   0.034606  -0.086788
+    1SOL     O4    4  -0.132827  -0.183337  -0.297946
+    1SOL     H5    5  -0.068754  -0.230796  -0.244987
+    1SOL     H6    6  -0.087476  -0.103334  -0.324496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/407/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007814  -0.016729   0.093922
+    0SOL     H3    3  -0.090381   0.003980  -0.031269
+    1SOL     O4    4  -0.028694  -0.272360  -0.070626
+    1SOL     H5    5   0.016388  -0.295316  -0.151885
+    1SOL     H6    6  -0.013068  -0.178501  -0.060203
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052718   0.045495   0.065675
+    0SOL     H3    3  -0.014811   0.049056  -0.080849
+    1SOL     O4    4  -0.026007  -0.017056   0.338284
+    1SOL     H5    5  -0.037539  -0.025804   0.432903
+    1SOL     H6    6  -0.071768   0.063989   0.315922
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052252  -0.053106   0.060099
+    0SOL     H3    3   0.064538   0.046852  -0.052934
+    1SOL     O4    4  -0.215817  -0.164684  -0.086961
+    1SOL     H5    5  -0.248143  -0.159812  -0.176926
+    1SOL     H6    6  -0.162528  -0.085887  -0.076307
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006991  -0.033767  -0.089293
+    0SOL     H3    3  -0.014490  -0.077709   0.053978
+    1SOL     O4    4  -0.029986  -0.122723  -0.248856
+    1SOL     H5    5   0.030383  -0.141189  -0.320806
+    1SOL     H6    6  -0.116821  -0.125708  -0.289021
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023917  -0.079453   0.047724
+    0SOL     H3    3   0.083421   0.035761  -0.030405
+    1SOL     O4    4  -0.185052   0.007180  -0.204252
+    1SOL     H5    5  -0.246137  -0.063711  -0.184119
+    1SOL     H6    6  -0.132256   0.016609  -0.124968
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018939  -0.029590   0.089040
+    0SOL     H3    3   0.081174  -0.015629  -0.048259
+    1SOL     O4    4   0.075318  -0.070680   0.247626
+    1SOL     H5    5   0.068120  -0.150672   0.299701
+    1SOL     H6    6   0.163182  -0.074469   0.209838
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/413/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032936  -0.050959  -0.074032
+    0SOL     H3    3   0.042602   0.075770  -0.040079
+    1SOL     O4    4   0.148252  -0.230518   0.030866
+    1SOL     H5    5   0.068820  -0.283726   0.026200
+    1SOL     H6    6   0.116492  -0.140342   0.035556
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/414/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089986   0.013694  -0.029619
+    0SOL     H3    3  -0.050649  -0.009412  -0.080675
+    1SOL     O4    4  -0.392903   0.018404  -0.022406
+    1SOL     H5    5  -0.382654   0.113552  -0.020383
+    1SOL     H6    6  -0.487512   0.004371  -0.018595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/415/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044803  -0.063735  -0.055614
+    0SOL     H3    3  -0.092666  -0.022912  -0.007089
+    1SOL     O4    4   0.071149   0.053392   0.259736
+    1SOL     H5    5   0.046534  -0.009320   0.327734
+    1SOL     H6    6   0.043227   0.012279   0.177929
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/416/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015292  -0.011578  -0.093779
+    0SOL     H3    3   0.049850  -0.070493   0.041327
+    1SOL     O4    4  -0.331993  -0.078616   0.036886
+    1SOL     H5    5  -0.281368  -0.144244  -0.010991
+    1SOL     H6    6  -0.417009  -0.077124  -0.007073
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/417/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039152   0.085247   0.019036
+    0SOL     H3    3   0.055077  -0.036814  -0.069091
+    1SOL     O4    4   0.052698  -0.186381   0.189907
+    1SOL     H5    5   0.031309  -0.106819   0.141176
+    1SOL     H6    6   0.085819  -0.154846   0.273995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/418/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077314   0.022402   0.051798
+    0SOL     H3    3  -0.060736   0.072453   0.014970
+    1SOL     O4    4   0.321902  -0.100605  -0.025000
+    1SOL     H5    5   0.340963  -0.185341  -0.065234
+    1SOL     H6    6   0.406299  -0.070488   0.008651
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/419/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040886   0.023223   0.083375
+    0SOL     H3    3   0.017631   0.084031  -0.042312
+    1SOL     O4    4   0.208911   0.016143   0.255036
+    1SOL     H5    5   0.237392   0.047998   0.169384
+    1SOL     H6    6   0.130553  -0.035631   0.236545
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/420/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072290  -0.028942  -0.055667
+    0SOL     H3    3   0.042216   0.048709   0.070764
+    1SOL     O4    4   0.280206  -0.165491   0.176074
+    1SOL     H5    5   0.309078  -0.086374   0.130585
+    1SOL     H6    6   0.314914  -0.237480   0.123395
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/421/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029688  -0.081075  -0.041325
+    0SOL     H3    3  -0.095375  -0.002683  -0.007666
+    1SOL     O4    4  -0.258621  -0.120365  -0.186014
+    1SOL     H5    5  -0.232917  -0.046120  -0.240689
+    1SOL     H6    6  -0.350006  -0.103027  -0.163418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/422/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053530  -0.079179  -0.005251
+    0SOL     H3    3  -0.055276   0.063347   0.045761
+    1SOL     O4    4  -0.207007   0.165787   0.090054
+    1SOL     H5    5  -0.169882   0.253528   0.080794
+    1SOL     H6    6  -0.241319   0.163552   0.179385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/423/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031796  -0.026321   0.086363
+    0SOL     H3    3   0.062377   0.070385   0.017818
+    1SOL     O4    4   0.005022   0.363949  -0.214034
+    1SOL     H5    5  -0.047140   0.380197  -0.135437
+    1SOL     H6    6  -0.028669   0.281260  -0.248526
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/424/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092485   0.016312  -0.018514
+    0SOL     H3    3  -0.039844  -0.012649  -0.086109
+    1SOL     O4    4   0.232493   0.038933  -0.134926
+    1SOL     H5    5   0.308594   0.021943  -0.079408
+    1SOL     H6    6   0.238871  -0.026038  -0.204929
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/425/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088017  -0.006506   0.037053
+    0SOL     H3    3   0.010215   0.056934  -0.076266
+    1SOL     O4    4   0.092029  -0.237069   0.204406
+    1SOL     H5    5   0.167132  -0.189501   0.168920
+    1SOL     H6    6   0.079157  -0.199930   0.291683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/426/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089562   0.008973   0.032565
+    0SOL     H3    3   0.005302   0.061726  -0.072966
+    1SOL     O4    4   0.143676  -0.015784   0.243035
+    1SOL     H5    5   0.213120  -0.079414   0.260094
+    1SOL     H6    6   0.122636  -0.027483   0.150391
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/427/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079668  -0.051908   0.010996
+    0SOL     H3    3  -0.011566   0.074500   0.058977
+    1SOL     O4    4  -0.284175   0.099909   0.031535
+    1SOL     H5    5  -0.309309   0.079381   0.121586
+    1SOL     H6    6  -0.335790   0.039729  -0.022100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/428/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051012   0.024343  -0.077250
+    0SOL     H3    3   0.065444  -0.015032   0.068216
+    1SOL     O4    4  -0.237872  -0.152716  -0.013610
+    1SOL     H5    5  -0.218196  -0.245760  -0.024467
+    1SOL     H6    6  -0.153284  -0.108997  -0.023404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/429/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040709   0.003184   0.086573
+    0SOL     H3    3  -0.079160  -0.052316   0.012613
+    1SOL     O4    4   0.060333  -0.325247   0.103823
+    1SOL     H5    5   0.049879  -0.272453   0.182980
+    1SOL     H6    6   0.154823  -0.327328   0.088670
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/430/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035007   0.065552  -0.060330
+    0SOL     H3    3   0.068957  -0.011732   0.065342
+    1SOL     O4    4   0.160656   0.285802   0.161961
+    1SOL     H5    5   0.211778   0.259113   0.085564
+    1SOL     H6    6   0.177910   0.217982   0.227268
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/431/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037329  -0.069736  -0.053905
+    0SOL     H3    3  -0.094410  -0.015563  -0.002630
+    1SOL     O4    4  -0.271955  -0.012345  -0.000184
+    1SOL     H5    5  -0.301108  -0.100306   0.023801
+    1SOL     H6    6  -0.314381   0.045190   0.063472
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/432/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046993  -0.032022  -0.076997
+    0SOL     H3    3  -0.023963  -0.060950   0.069808
+    1SOL     O4    4  -0.004685  -0.191659   0.169469
+    1SOL     H5    5   0.065885  -0.235256   0.121704
+    1SOL     H6    6  -0.063838  -0.262509   0.194834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/433/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077235   0.056038   0.007539
+    0SOL     H3    3   0.038052  -0.000364   0.087831
+    1SOL     O4    4   0.076451   0.264563  -0.093500
+    1SOL     H5    5   0.026410   0.250456  -0.173870
+    1SOL     H6    6   0.083318   0.177671  -0.053941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/434/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032559  -0.078887  -0.043348
+    0SOL     H3    3   0.025368   0.058070  -0.071740
+    1SOL     O4    4   0.227274   0.037033   0.159484
+    1SOL     H5    5   0.157026   0.005471   0.102639
+    1SOL     H6    6   0.307481   0.020627   0.109886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/435/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027305  -0.072232   0.056562
+    0SOL     H3    3   0.093988   0.008718   0.015892
+    1SOL     O4    4   0.265111  -0.005732   0.029979
+    1SOL     H5    5   0.279294   0.075697  -0.018295
+    1SOL     H6    6   0.301349  -0.073843  -0.026679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/436/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061979   0.068981  -0.023718
+    0SOL     H3    3   0.052150  -0.013642  -0.079099
+    1SOL     O4    4   0.162375   0.286454   0.057132
+    1SOL     H5    5   0.120225   0.231077   0.122852
+    1SOL     H6    6   0.100813   0.287823  -0.016151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/437/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077063  -0.049233   0.028281
+    0SOL     H3    3  -0.070453  -0.030902   0.056954
+    1SOL     O4    4   0.128346  -0.277519  -0.065823
+    1SOL     H5    5   0.120742  -0.326416  -0.147759
+    1SOL     H6    6   0.222429  -0.274168  -0.048518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/438/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017797  -0.092997   0.014042
+    0SOL     H3    3  -0.043666   0.044065   0.072896
+    1SOL     O4    4  -0.045009   0.200896   0.191018
+    1SOL     H5    5   0.001936   0.267105   0.140275
+    1SOL     H6    6   0.020500   0.166131   0.251534
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/439/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028130   0.060746  -0.068417
+    0SOL     H3    3   0.074694  -0.005246   0.059629
+    1SOL     O4    4   0.130862  -0.060010   0.263718
+    1SOL     H5    5   0.124983  -0.146721   0.223605
+    1SOL     H6    6   0.219496  -0.056153   0.299657
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/440/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019317   0.056351   0.074925
+    0SOL     H3    3  -0.091878   0.017641  -0.020239
+    1SOL     O4    4  -0.033892  -0.258543   0.045746
+    1SOL     H5    5   0.051062  -0.290496   0.076146
+    1SOL     H6    6  -0.017037  -0.168623   0.017593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/441/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095044   0.011157  -0.002133
+    0SOL     H3    3   0.012999  -0.094816   0.001803
+    1SOL     O4    4   0.029232  -0.269380   0.084652
+    1SOL     H5    5   0.012207  -0.288797   0.176823
+    1SOL     H6    6  -0.018755  -0.336871   0.036647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/442/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031614  -0.066801   0.060831
+    0SOL     H3    3  -0.079435   0.036340  -0.039139
+    1SOL     O4    4   0.210359  -0.167049  -0.133251
+    1SOL     H5    5   0.293212  -0.150689  -0.178308
+    1SOL     H6    6   0.180949  -0.080479  -0.104914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/443/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007286   0.042514   0.085450
+    0SOL     H3    3  -0.090032   0.017036  -0.027682
+    1SOL     O4    4   0.064241   0.074548   0.264694
+    1SOL     H5    5  -0.021636   0.051973   0.300440
+    1SOL     H6    6   0.125382   0.017529   0.311308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/444/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077446  -0.015212  -0.054157
+    0SOL     H3    3   0.033510   0.084738  -0.029306
+    1SOL     O4    4   0.102323   0.112869  -0.324894
+    1SOL     H5    5   0.087778   0.192097  -0.376602
+    1SOL     H6    6   0.030111   0.054862  -0.349037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/445/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071371   0.053415  -0.034862
+    0SOL     H3    3   0.017307  -0.004766   0.094022
+    1SOL     O4    4  -0.105591  -0.216245  -0.160301
+    1SOL     H5    5  -0.085052  -0.149641  -0.094694
+    1SOL     H6    6  -0.200976  -0.223835  -0.157747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/446/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045651   0.048906   0.068458
+    0SOL     H3    3  -0.067986  -0.020651  -0.064139
+    1SOL     O4    4  -0.051999   0.133949   0.196712
+    1SOL     H5    5  -0.072540   0.077366   0.271134
+    1SOL     H6    6   0.042629   0.147315   0.202126
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/447/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074512   0.055441   0.023165
+    0SOL     H3    3   0.065600   0.060901  -0.033913
+    1SOL     O4    4  -0.165568   0.148637   0.145103
+    1SOL     H5    5  -0.125763   0.086850   0.206424
+    1SOL     H6    6  -0.251578   0.167604   0.182584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/448/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052163   0.033240  -0.073051
+    0SOL     H3    3   0.083669   0.045902  -0.007412
+    1SOL     O4    4   0.162183   0.188852   0.142433
+    1SOL     H5    5   0.076048   0.227749   0.127267
+    1SOL     H6    6   0.151630   0.137700   0.222648
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/449/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047771   0.082797  -0.004986
+    0SOL     H3    3   0.063032   0.012891   0.070874
+    1SOL     O4    4  -0.090057  -0.201946  -0.187298
+    1SOL     H5    5  -0.114674  -0.174096  -0.275506
+    1SOL     H6    6  -0.063292  -0.121284  -0.143257
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010282   0.063131  -0.071211
+    0SOL     H3    3   0.062811   0.040954   0.059497
+    1SOL     O4    4   0.064623  -0.234744   0.129510
+    1SOL     H5    5   0.032052  -0.209782   0.215987
+    1SOL     H6    6   0.037160  -0.163333   0.071989
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/451/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062827  -0.066115  -0.029048
+    0SOL     H3    3  -0.081480  -0.023081  -0.044616
+    1SOL     O4    4  -0.044744  -0.223084   0.206976
+    1SOL     H5    5  -0.017129  -0.308531   0.240120
+    1SOL     H6    6   0.036407  -0.172877   0.199490
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/452/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072354  -0.062666   0.000555
+    0SOL     H3    3  -0.063382  -0.035973   0.062057
+    1SOL     O4    4  -0.173666   0.050917  -0.228948
+    1SOL     H5    5  -0.238564   0.088946  -0.169751
+    1SOL     H6    6  -0.093720   0.045446  -0.176594
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/453/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057112   0.076545   0.006436
+    0SOL     H3    3  -0.057681   0.006627   0.076101
+    1SOL     O4    4   0.108231   0.141700   0.252132
+    1SOL     H5    5   0.200453   0.142022   0.226493
+    1SOL     H6    6   0.099746   0.066127   0.310261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/454/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080363   0.049713  -0.015253
+    0SOL     H3    3  -0.050659   0.010995  -0.080468
+    1SOL     O4    4  -0.213240  -0.028698  -0.234376
+    1SOL     H5    5  -0.245159  -0.068436  -0.315397
+    1SOL     H6    6  -0.278809  -0.052134  -0.168697
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/455/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037042  -0.038600   0.079374
+    0SOL     H3    3   0.052671   0.073505   0.031386
+    1SOL     O4    4  -0.060632  -0.291978  -0.028236
+    1SOL     H5    5  -0.079271  -0.378703  -0.064204
+    1SOL     H6    6  -0.141707  -0.266279   0.015681
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038366   0.025488   0.083909
+    0SOL     H3    3  -0.031692  -0.089100  -0.014803
+    1SOL     O4    4  -0.095681  -0.254789  -0.045395
+    1SOL     H5    5  -0.148328  -0.217683  -0.116204
+    1SOL     H6    6  -0.013798  -0.280915  -0.087525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/457/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037670  -0.014782  -0.086746
+    0SOL     H3    3  -0.022102   0.090826   0.020603
+    1SOL     O4    4   0.142437  -0.211110   0.050000
+    1SOL     H5    5   0.146429  -0.236891   0.142096
+    1SOL     H6    6   0.097754  -0.126462   0.050689
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001257   0.061947  -0.072961
+    0SOL     H3    3   0.005894  -0.085993  -0.041627
+    1SOL     O4    4   0.218899  -0.139031   0.139690
+    1SOL     H5    5   0.243994  -0.085082   0.214670
+    1SOL     H6    6   0.141809  -0.095377   0.103444
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/459/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017593   0.010278   0.093526
+    0SOL     H3    3   0.086307  -0.012684  -0.039403
+    1SOL     O4    4   0.079355  -0.019662   0.292571
+    1SOL     H5    5   0.095677   0.067578   0.328419
+    1SOL     H6    6   0.116258  -0.079566   0.357471
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/460/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091434   0.026721  -0.009389
+    0SOL     H3    3  -0.007719  -0.078573  -0.054121
+    1SOL     O4    4  -0.146570   0.155711  -0.196132
+    1SOL     H5    5  -0.079326   0.223617  -0.201542
+    1SOL     H6    6  -0.114616   0.095601  -0.128842
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066454  -0.067770   0.012390
+    0SOL     H3    3   0.024829   0.025780   0.088776
+    1SOL     O4    4   0.260158  -0.070074  -0.019246
+    1SOL     H5    5   0.303700   0.009287  -0.050361
+    1SOL     H6    6   0.167077  -0.047758  -0.018756
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/462/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048370  -0.066917  -0.048423
+    0SOL     H3    3  -0.033636  -0.006057   0.089411
+    1SOL     O4    4  -0.161640  -0.197268  -0.072962
+    1SOL     H5    5  -0.214527  -0.212997  -0.151179
+    1SOL     H6    6  -0.218660  -0.221813  -0.000103
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/463/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000715   0.068653  -0.066697
+    0SOL     H3    3   0.075297   0.019839   0.055670
+    1SOL     O4    4   0.245254  -0.223189   0.115571
+    1SOL     H5    5   0.168185  -0.265981   0.078267
+    1SOL     H6    6   0.307717  -0.294327   0.129708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/464/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088245   0.036388  -0.007147
+    0SOL     H3    3  -0.008418  -0.089827  -0.031978
+    1SOL     O4    4  -0.270593   0.013828   0.130211
+    1SOL     H5    5  -0.277251   0.019738   0.225516
+    1SOL     H6    6  -0.303156   0.098107   0.098606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/465/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037967  -0.016745   0.086258
+    0SOL     H3    3   0.090964   0.023736   0.018014
+    1SOL     O4    4  -0.080142   0.219487  -0.150403
+    1SOL     H5    5  -0.173863   0.230750  -0.134531
+    1SOL     H6    6  -0.055601   0.144119  -0.096739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/466/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019482  -0.091686   0.019401
+    0SOL     H3    3  -0.050247   0.049434   0.064760
+    1SOL     O4    4  -0.028890  -0.279544   0.076320
+    1SOL     H5    5   0.060701  -0.283533   0.042857
+    1SOL     H6    6  -0.072728  -0.354780   0.036570
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/467/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002997   0.094559  -0.014559
+    0SOL     H3    3   0.017210  -0.010431   0.093581
+    1SOL     O4    4  -0.129564  -0.272726   0.101714
+    1SOL     H5    5  -0.192458  -0.296691   0.169775
+    1SOL     H6    6  -0.124384  -0.350045   0.045525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/468/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005342   0.084921  -0.043843
+    0SOL     H3    3  -0.023294  -0.063489  -0.067741
+    1SOL     O4    4  -0.041866  -0.186128  -0.193530
+    1SOL     H5    5   0.052349  -0.197249  -0.206262
+    1SOL     H6    6  -0.077748  -0.182068  -0.282177
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/469/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094684   0.011233   0.008430
+    0SOL     H3    3   0.021578  -0.069378   0.062317
+    1SOL     O4    4   0.143414   0.121074   0.267872
+    1SOL     H5    5   0.188317   0.051966   0.316556
+    1SOL     H6    6   0.193105   0.200479   0.287572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/470/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087805  -0.011049   0.036477
+    0SOL     H3    3  -0.007734   0.094079  -0.015862
+    1SOL     O4    4  -0.002480   0.283996  -0.008471
+    1SOL     H5    5  -0.083883   0.332857   0.003714
+    1SOL     H6    6   0.050648   0.306441   0.067922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/471/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015641  -0.013003   0.093534
+    0SOL     H3    3   0.084427  -0.018305  -0.041223
+    1SOL     O4    4   0.093571  -0.033295   0.289767
+    1SOL     H5    5   0.074585   0.032671   0.356478
+    1SOL     H6    6   0.168319  -0.081867   0.324634
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/472/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001178   0.013772   0.094717
+    0SOL     H3    3  -0.051652   0.072962  -0.034219
+    1SOL     O4    4  -0.173995   0.189239  -0.123749
+    1SOL     H5    5  -0.129930   0.272612  -0.140164
+    1SOL     H6    6  -0.176971   0.146415  -0.209303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/473/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086519  -0.025886  -0.031729
+    0SOL     H3    3   0.061314  -0.044201  -0.058730
+    1SOL     O4    4  -0.208797   0.152090  -0.226909
+    1SOL     H5    5  -0.170944   0.220310  -0.282366
+    1SOL     H6    6  -0.157049   0.073935  -0.246308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/474/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014048   0.061136   0.072300
+    0SOL     H3    3  -0.057516  -0.073962   0.019593
+    1SOL     O4    4  -0.236744   0.140258   0.235100
+    1SOL     H5    5  -0.312353   0.192937   0.209205
+    1SOL     H6    6  -0.250706   0.055678   0.192514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/475/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000013   0.094268   0.016609
+    0SOL     H3    3   0.072090  -0.033727   0.053177
+    1SOL     O4    4   0.032250   0.293534   0.039417
+    1SOL     H5    5  -0.010210   0.330503  -0.037996
+    1SOL     H6    6  -0.019792   0.325740   0.113016
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/476/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014042  -0.082654   0.046189
+    0SOL     H3    3   0.081738  -0.012970  -0.048094
+    1SOL     O4    4  -0.266645   0.098964  -0.120151
+    1SOL     H5    5  -0.192743   0.039460  -0.132802
+    1SOL     H6    6  -0.228704   0.175512  -0.076986
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/477/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070108  -0.047346  -0.044783
+    0SOL     H3    3  -0.045509   0.060648   0.058421
+    1SOL     O4    4  -0.200548  -0.167356  -0.118609
+    1SOL     H5    5  -0.152559  -0.180613  -0.200362
+    1SOL     H6    6  -0.193137  -0.250967  -0.072602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/478/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054102   0.074632   0.025795
+    0SOL     H3    3   0.058467  -0.055223  -0.051907
+    1SOL     O4    4   0.118512  -0.225072  -0.172203
+    1SOL     H5    5   0.193242  -0.275250  -0.204759
+    1SOL     H6    6   0.043671  -0.283768  -0.182966
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/479/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065950   0.035798   0.059425
+    0SOL     H3    3  -0.083654   0.021199   0.041412
+    1SOL     O4    4  -0.194644   0.008330   0.179519
+    1SOL     H5    5  -0.155612  -0.026089   0.259857
+    1SOL     H6    6  -0.234946   0.091034   0.205939
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/480/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061015   0.058933   0.044344
+    0SOL     H3    3   0.020355  -0.067005   0.065255
+    1SOL     O4    4   0.207031   0.189240   0.012395
+    1SOL     H5    5   0.138917   0.121991   0.011767
+    1SOL     H6    6   0.184097   0.247305  -0.060164
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006205   0.036616   0.088222
+    0SOL     H3    3   0.080150   0.028856  -0.043653
+    1SOL     O4    4  -0.187254  -0.195607  -0.063848
+    1SOL     H5    5  -0.214393  -0.160650  -0.148723
+    1SOL     H6    6  -0.121464  -0.133648  -0.032301
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054008  -0.036943   0.069862
+    0SOL     H3    3   0.049612  -0.074499  -0.033924
+    1SOL     O4    4  -0.057114   0.055875  -0.264692
+    1SOL     H5    5  -0.082213   0.148244  -0.263990
+    1SOL     H6    6  -0.036615   0.035881  -0.173356
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007359  -0.076674  -0.056827
+    0SOL     H3    3   0.093592   0.020031   0.001277
+    1SOL     O4    4  -0.248966   0.076886  -0.085208
+    1SOL     H5    5  -0.296432  -0.006113  -0.080680
+    1SOL     H6    6  -0.156668   0.052064  -0.079980
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063987   0.057685   0.041718
+    0SOL     H3    3  -0.031041   0.049462  -0.075844
+    1SOL     O4    4  -0.088020   0.212983   0.214739
+    1SOL     H5    5   0.002166   0.213332   0.182667
+    1SOL     H6    6  -0.092090   0.286650   0.275722
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042358   0.059301   0.062061
+    0SOL     H3    3  -0.038866  -0.068244   0.054722
+    1SOL     O4    4   0.180828   0.241529  -0.142872
+    1SOL     H5    5   0.171538   0.242177  -0.238138
+    1SOL     H6    6   0.237425   0.166481  -0.124788
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/486/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081290   0.047248  -0.017941
+    0SOL     H3    3   0.067416   0.049823  -0.046207
+    1SOL     O4    4   0.036921   0.124605   0.255867
+    1SOL     H5    5   0.009952   0.091581   0.170167
+    1SOL     H6    6   0.036579   0.219823   0.246087
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/487/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001518   0.095484  -0.006550
+    0SOL     H3    3  -0.085644  -0.025072  -0.034623
+    1SOL     O4    4  -0.206378   0.105112  -0.188749
+    1SOL     H5    5  -0.200971   0.011639  -0.168851
+    1SOL     H6    6  -0.138932   0.119456  -0.255140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/488/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036142  -0.070224   0.054081
+    0SOL     H3    3   0.015182   0.079673   0.050833
+    1SOL     O4    4   0.102729  -0.241074   0.100786
+    1SOL     H5    5   0.043515  -0.304365   0.060162
+    1SOL     H6    6   0.120558  -0.277193   0.187618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/489/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003219   0.048325   0.082563
+    0SOL     H3    3  -0.063411   0.044414  -0.056292
+    1SOL     O4    4   0.103970  -0.271368   0.050848
+    1SOL     H5    5   0.103320  -0.278907  -0.044572
+    1SOL     H6    6   0.070808  -0.183267   0.068188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/490/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086338  -0.022229   0.034842
+    0SOL     H3    3  -0.061655  -0.039870   0.061412
+    1SOL     O4    4   0.021810   0.260315   0.080666
+    1SOL     H5    5  -0.017886   0.186760   0.034016
+    1SOL     H6    6  -0.052325   0.307443   0.118683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/491/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092559  -0.000601  -0.024389
+    0SOL     H3    3   0.000411   0.002287   0.095692
+    1SOL     O4    4  -0.019367  -0.000268   0.276465
+    1SOL     H5    5   0.011105  -0.089194   0.258411
+    1SOL     H6    6   0.060289   0.048703   0.296936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/492/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026633   0.091341  -0.010484
+    0SOL     H3    3   0.095643   0.003012   0.002386
+    1SOL     O4    4  -0.309820  -0.042755  -0.148311
+    1SOL     H5    5  -0.271049  -0.127140  -0.125109
+    1SOL     H6    6  -0.402888  -0.061607  -0.160362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/493/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026971  -0.069335   0.060229
+    0SOL     H3    3  -0.002340   0.079056   0.053917
+    1SOL     O4    4   0.146112   0.146345  -0.164960
+    1SOL     H5    5   0.101811   0.071963  -0.124129
+    1SOL     H6    6   0.167681   0.115979  -0.253136
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/494/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023645  -0.081682  -0.043946
+    0SOL     H3    3   0.039849  -0.007012   0.086748
+    1SOL     O4    4   0.188215   0.250016   0.089172
+    1SOL     H5    5   0.094385   0.247733   0.070380
+    1SOL     H6    6   0.222315   0.319393   0.032724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/495/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001339   0.015201   0.094496
+    0SOL     H3    3   0.078954  -0.052049  -0.014818
+    1SOL     O4    4  -0.077061   0.184458  -0.340943
+    1SOL     H5    5  -0.048918   0.270148  -0.372999
+    1SOL     H6    6  -0.118427   0.142928  -0.416615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/496/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054258   0.032213  -0.071977
+    0SOL     H3    3  -0.044848   0.029896   0.079103
+    1SOL     O4    4  -0.383993  -0.137560   0.124662
+    1SOL     H5    5  -0.307216  -0.100147   0.167882
+    1SOL     H6    6  -0.437976  -0.061867   0.101888
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/497/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090852  -0.013273   0.027058
+    0SOL     H3    3  -0.036234   0.059280   0.065843
+    1SOL     O4    4   0.138521  -0.264387  -0.077945
+    1SOL     H5    5   0.134758  -0.277149   0.016846
+    1SOL     H6    6   0.231355  -0.272945  -0.099646
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/498/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022662  -0.004380  -0.092895
+    0SOL     H3    3  -0.005457   0.093660   0.018981
+    1SOL     O4    4   0.043076   0.035345  -0.271890
+    1SOL     H5    5   0.085642   0.103570  -0.323811
+    1SOL     H6    6  -0.031224   0.007346  -0.325350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/499/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022404   0.059953  -0.071176
+    0SOL     H3    3   0.068315   0.014000   0.065570
+    1SOL     O4    4  -0.274455   0.052241   0.020745
+    1SOL     H5    5  -0.296606  -0.007589   0.092104
+    1SOL     H6    6  -0.179393   0.045122   0.012094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/500/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094001   0.014403   0.010891
+    0SOL     H3    3   0.028825   0.071517  -0.056716
+    1SOL     O4    4   0.074694   0.272990   0.149200
+    1SOL     H5    5   0.042750   0.263949   0.238978
+    1SOL     H6    6  -0.003643   0.292260   0.097680
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/501/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063455  -0.071239  -0.007797
+    0SOL     H3    3   0.061166  -0.029615   0.067409
+    1SOL     O4    4  -0.136107   0.215807   0.099894
+    1SOL     H5    5  -0.069923   0.147782   0.087460
+    1SOL     H6    6  -0.198092   0.177879   0.162198
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/502/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078753  -0.041697  -0.034951
+    0SOL     H3    3  -0.050801  -0.072073   0.037243
+    1SOL     O4    4   0.205482  -0.183699   0.169949
+    1SOL     H5    5   0.195727  -0.174554   0.075167
+    1SOL     H6    6   0.148648  -0.257207   0.192943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/503/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014499   0.086461   0.038427
+    0SOL     H3    3   0.056604  -0.058462   0.050403
+    1SOL     O4    4   0.201363   0.098763   0.269143
+    1SOL     H5    5   0.199786   0.191465   0.292937
+    1SOL     H6    6   0.118382   0.064143   0.301975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/504/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056998  -0.016578  -0.075091
+    0SOL     H3    3  -0.077729   0.041366  -0.037541
+    1SOL     O4    4   0.161166   0.159805   0.138147
+    1SOL     H5    5   0.101907   0.101756   0.090387
+    1SOL     H6    6   0.205046   0.102702   0.201204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/505/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057160   0.058317   0.049942
+    0SOL     H3    3  -0.058197  -0.042451  -0.063035
+    1SOL     O4    4  -0.024835   0.223450  -0.212662
+    1SOL     H5    5  -0.016196   0.162835  -0.139085
+    1SOL     H6    6  -0.117566   0.219686  -0.236096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/506/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018201  -0.080985   0.047671
+    0SOL     H3    3   0.078963   0.015621  -0.051798
+    1SOL     O4    4   0.245552   0.096171  -0.090137
+    1SOL     H5    5   0.301066   0.054645  -0.156138
+    1SOL     H6    6   0.293946   0.085937  -0.008188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/507/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067045   0.006982  -0.067960
+    0SOL     H3    3  -0.008826  -0.094055   0.015431
+    1SOL     O4    4   0.185934   0.068900  -0.178337
+    1SOL     H5    5   0.170937   0.162852  -0.188844
+    1SOL     H6    6   0.262974   0.063066  -0.121829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/508/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089032  -0.015081   0.031753
+    0SOL     H3    3   0.037673  -0.087600  -0.008317
+    1SOL     O4    4   0.025649  -0.279768   0.001069
+    1SOL     H5    5   0.031048  -0.310146   0.091679
+    1SOL     H6    6   0.106426  -0.311120  -0.039607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/509/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089717  -0.032569   0.007237
+    0SOL     H3    3  -0.004294   0.067258  -0.067973
+    1SOL     O4    4   0.216574  -0.153406  -0.025362
+    1SOL     H5    5   0.134648  -0.103933  -0.027027
+    1SOL     H6    6   0.264574  -0.117835   0.049425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/510/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026309   0.022779   0.089170
+    0SOL     H3    3   0.003902  -0.095640  -0.000178
+    1SOL     O4    4   0.226406   0.160275   0.051108
+    1SOL     H5    5   0.149457   0.104256   0.040955
+    1SOL     H6    6   0.300778   0.100485   0.043599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/511/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009280   0.065591   0.069094
+    0SOL     H3    3   0.059568   0.040087  -0.063301
+    1SOL     O4    4  -0.111913   0.137557   0.216190
+    1SOL     H5    5  -0.121884   0.086593   0.296599
+    1SOL     H6    6  -0.200607   0.166738   0.195118
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/512/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040281   0.038147   0.078004
+    0SOL     H3    3   0.038939  -0.087167  -0.006930
+    1SOL     O4    4   0.133750   0.190022  -0.152951
+    1SOL     H5    5   0.110327   0.282037  -0.140834
+    1SOL     H6    6   0.063948   0.141495  -0.108960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/513/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059883   0.049700   0.055734
+    0SOL     H3    3  -0.023890  -0.091514   0.014723
+    1SOL     O4    4   0.172095   0.316741  -0.066046
+    1SOL     H5    5   0.085184   0.314653  -0.025992
+    1SOL     H6    6   0.228483   0.271362  -0.003408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/514/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042433  -0.081257  -0.027550
+    0SOL     H3    3   0.023456   0.043766  -0.081833
+    1SOL     O4    4  -0.166437   0.192575   0.066477
+    1SOL     H5    5  -0.104120   0.126199   0.036927
+    1SOL     H6    6  -0.237451   0.189042   0.002392
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/515/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045091  -0.073315  -0.041881
+    0SOL     H3    3   0.065336   0.027814  -0.064186
+    1SOL     O4    4   0.178468   0.070564  -0.191097
+    1SOL     H5    5   0.226246  -0.001016  -0.233000
+    1SOL     H6    6   0.103930   0.086757  -0.248927
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/516/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012469  -0.056880   0.075970
+    0SOL     H3    3  -0.068416   0.066431   0.008271
+    1SOL     O4    4  -0.137329   0.222384   0.039983
+    1SOL     H5    5  -0.088801   0.285701   0.092882
+    1SOL     H6    6  -0.189065   0.275977  -0.020129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/517/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018930  -0.089895  -0.026885
+    0SOL     H3    3  -0.067014  -0.008828   0.067775
+    1SOL     O4    4   0.164419   0.096423  -0.259914
+    1SOL     H5    5   0.162819   0.190501  -0.277492
+    1SOL     H6    6   0.132959   0.088293  -0.169877
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/518/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035026  -0.038053   0.080544
+    0SOL     H3    3  -0.004874  -0.070891  -0.064133
+    1SOL     O4    4   0.044576  -0.238832  -0.128755
+    1SOL     H5    5  -0.022010  -0.209743  -0.191063
+    1SOL     H6    6   0.127426  -0.228359  -0.175537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/519/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055529   0.072813  -0.027878
+    0SOL     H3    3  -0.046419  -0.038486   0.074340
+    1SOL     O4    4   0.249002  -0.049357   0.070607
+    1SOL     H5    5   0.265660  -0.016705   0.159030
+    1SOL     H6    6   0.161006  -0.018055   0.049647
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/520/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001535  -0.089628   0.033566
+    0SOL     H3    3  -0.077051   0.003072  -0.056709
+    1SOL     O4    4  -0.249453  -0.077127  -0.145186
+    1SOL     H5    5  -0.327803  -0.048254  -0.098388
+    1SOL     H6    6  -0.246089  -0.021463  -0.222984
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/521/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017863  -0.059387  -0.072914
+    0SOL     H3    3  -0.031160   0.085277  -0.030318
+    1SOL     O4    4   0.280844  -0.028479  -0.144537
+    1SOL     H5    5   0.207354  -0.077990  -0.180734
+    1SOL     H6    6   0.240909   0.050442  -0.107944
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/522/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078786   0.034331  -0.042149
+    0SOL     H3    3  -0.014699   0.014167   0.093518
+    1SOL     O4    4   0.102104  -0.229862  -0.091330
+    1SOL     H5    5   0.067278  -0.246601  -0.178904
+    1SOL     H6    6   0.045507  -0.161392  -0.055679
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086864   0.000576  -0.040208
+    0SOL     H3    3   0.015971   0.021314   0.091940
+    1SOL     O4    4  -0.258130   0.005009  -0.070068
+    1SOL     H5    5  -0.174271  -0.041119  -0.071574
+    1SOL     H6    6  -0.240964   0.084359  -0.019362
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020284   0.091970   0.017097
+    0SOL     H3    3   0.013678  -0.038086   0.086745
+    1SOL     O4    4   0.242073  -0.003619  -0.193105
+    1SOL     H5    5   0.198262   0.040064  -0.120066
+    1SOL     H6    6   0.185336   0.012823  -0.268423
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052640  -0.044969   0.066099
+    0SOL     H3    3  -0.043538  -0.070443  -0.048005
+    1SOL     O4    4   0.155202  -0.215928   0.100241
+    1SOL     H5    5   0.173787  -0.255374   0.015030
+    1SOL     H6    6   0.240865  -0.189068   0.133449
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095085  -0.001816  -0.010855
+    0SOL     H3    3  -0.030925  -0.077902  -0.046231
+    1SOL     O4    4  -0.175199  -0.168499  -0.094561
+    1SOL     H5    5  -0.155226  -0.194108  -0.184603
+    1SOL     H6    6  -0.270830  -0.167630  -0.090509
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042542  -0.015914   0.084257
+    0SOL     H3    3   0.068634   0.038203  -0.054702
+    1SOL     O4    4   0.114702  -0.074912   0.247810
+    1SOL     H5    5   0.044737  -0.139907   0.254359
+    1SOL     H6    6   0.192995  -0.120777   0.278289
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/528/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051820   0.062959  -0.050131
+    0SOL     H3    3  -0.057170   0.054011   0.054559
+    1SOL     O4    4  -0.275392   0.178301  -0.119657
+    1SOL     H5    5  -0.331386   0.197709  -0.194826
+    1SOL     H6    6  -0.194134   0.145429  -0.158113
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033628   0.046167  -0.076812
+    0SOL     H3    3  -0.015444  -0.089381  -0.030576
+    1SOL     O4    4   0.339242   0.140570   0.140002
+    1SOL     H5    5   0.280916   0.155663   0.065620
+    1SOL     H6    6   0.347848   0.045359   0.144817
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079040   0.053891   0.003293
+    0SOL     H3    3   0.004200  -0.041725   0.086045
+    1SOL     O4    4  -0.230040   0.122568  -0.065105
+    1SOL     H5    5  -0.301143   0.075070  -0.022085
+    1SOL     H6    6  -0.234546   0.094808  -0.156600
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044173   0.010495   0.084267
+    0SOL     H3    3   0.069363   0.065957   0.000885
+    1SOL     O4    4  -0.098959  -0.088582   0.247782
+    1SOL     H5    5  -0.080389  -0.065489   0.338799
+    1SOL     H6    6  -0.192763  -0.107594   0.246505
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003635   0.093673   0.019351
+    0SOL     H3    3  -0.088104  -0.031961   0.019455
+    1SOL     O4    4  -0.253825  -0.141914   0.041173
+    1SOL     H5    5  -0.315888  -0.104967   0.103986
+    1SOL     H6    6  -0.299558  -0.138099  -0.042829
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038762  -0.011194  -0.086802
+    0SOL     H3    3  -0.049281  -0.080701   0.014865
+    1SOL     O4    4  -0.209534   0.213238   0.036952
+    1SOL     H5    5  -0.299949   0.181851   0.038440
+    1SOL     H6    6  -0.157107   0.134667   0.021451
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050824  -0.062049   0.052242
+    0SOL     H3    3   0.012589   0.084189   0.043773
+    1SOL     O4    4   0.070633   0.207662   0.152286
+    1SOL     H5    5   0.117831   0.286052   0.124187
+    1SOL     H6    6   0.107381   0.187038   0.238231
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087253  -0.039197  -0.003589
+    0SOL     H3    3  -0.034749  -0.010639  -0.088553
+    1SOL     O4    4  -0.088018  -0.007711  -0.252742
+    1SOL     H5    5  -0.181102   0.013676  -0.259075
+    1SOL     H6    6  -0.044960   0.055114  -0.310719
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043676  -0.069242   0.049602
+    0SOL     H3    3   0.082544  -0.039254  -0.028426
+    1SOL     O4    4  -0.125398   0.084121   0.339462
+    1SOL     H5    5  -0.117898   0.162180   0.394352
+    1SOL     H6    6  -0.048557   0.031598   0.361805
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021968  -0.074310   0.056194
+    0SOL     H3    3  -0.046113   0.060900   0.057681
+    1SOL     O4    4  -0.208807  -0.093846  -0.146854
+    1SOL     H5    5  -0.137237  -0.087386  -0.083623
+    1SOL     H6    6  -0.215504  -0.006123  -0.184567
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007611  -0.080085  -0.051873
+    0SOL     H3    3  -0.010445  -0.029017   0.090616
+    1SOL     O4    4  -0.161865   0.153924  -0.148029
+    1SOL     H5    5  -0.225886   0.184190  -0.083627
+    1SOL     H6    6  -0.113027   0.085127  -0.102818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/539/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003709  -0.009484  -0.095177
+    0SOL     H3    3  -0.084972  -0.036646   0.024476
+    1SOL     O4    4  -0.177018   0.244201   0.122023
+    1SOL     H5    5  -0.087147   0.257109   0.091708
+    1SOL     H6    6  -0.230510   0.294549   0.060655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/540/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019245  -0.084396  -0.040857
+    0SOL     H3    3  -0.085090   0.032242   0.029706
+    1SOL     O4    4  -0.282047  -0.192014  -0.156078
+    1SOL     H5    5  -0.312254  -0.259642  -0.095445
+    1SOL     H6    6  -0.330804  -0.113614  -0.130809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/541/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084007  -0.045388  -0.006718
+    0SOL     H3    3  -0.062784  -0.068841   0.021942
+    1SOL     O4    4  -0.219183  -0.158044   0.116501
+    1SOL     H5    5  -0.225543  -0.125597   0.206329
+    1SOL     H6    6  -0.308918  -0.181819   0.093162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/542/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040669   0.055428   0.066604
+    0SOL     H3    3  -0.065455  -0.050893   0.047831
+    1SOL     O4    4   0.243351  -0.062453  -0.125063
+    1SOL     H5    5   0.164566  -0.045046  -0.073564
+    1SOL     H6    6   0.210516  -0.087923  -0.211292
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053019  -0.025308   0.075570
+    0SOL     H3    3  -0.056143  -0.017284  -0.075575
+    1SOL     O4    4  -0.126251  -0.049062  -0.228856
+    1SOL     H5    5  -0.162900   0.030362  -0.267728
+    1SOL     H6    6  -0.147083  -0.118297  -0.291584
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+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/544/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044836  -0.048652   0.069175
+    0SOL     H3    3  -0.069431   0.049713  -0.043246
+    1SOL     O4    4   0.193758  -0.080950  -0.173966
+    1SOL     H5    5   0.249810  -0.003384  -0.175988
+    1SOL     H6    6   0.125373  -0.059495  -0.110519
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032626   0.068302   0.058589
+    0SOL     H3    3  -0.068044   0.043178  -0.051653
+    1SOL     O4    4  -0.095781  -0.221897   0.109617
+    1SOL     H5    5  -0.043672  -0.156564   0.062942
+    1SOL     H6    6  -0.033353  -0.290968   0.131848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/546/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049640   0.045010  -0.068354
+    0SOL     H3    3   0.080424   0.051142   0.008877
+    1SOL     O4    4  -0.200742  -0.124798   0.149379
+    1SOL     H5    5  -0.114302  -0.092148   0.124390
+    1SOL     H6    6  -0.228054  -0.067818   0.221280
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/547/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078843   0.053891  -0.006468
+    0SOL     H3    3  -0.070363   0.056481  -0.031956
+    1SOL     O4    4   0.207711   0.133801  -0.064376
+    1SOL     H5    5   0.200443   0.184021  -0.145540
+    1SOL     H6    6   0.273520   0.066930  -0.083342
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/548/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035632  -0.027821  -0.084372
+    0SOL     H3    3  -0.090974  -0.029732  -0.001390
+    1SOL     O4    4  -0.250970  -0.068460  -0.113810
+    1SOL     H5    5  -0.227455  -0.153445  -0.151050
+    1SOL     H6    6  -0.332636  -0.084713  -0.066600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/549/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015600   0.094377  -0.003455
+    0SOL     H3    3   0.065995  -0.010925   0.068467
+    1SOL     O4    4  -0.182761  -0.187841   0.050890
+    1SOL     H5    5  -0.143941  -0.248330   0.114107
+    1SOL     H6    6  -0.111993  -0.127163   0.029156
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/550/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047089  -0.070699   0.044120
+    0SOL     H3    3   0.091302  -0.012029   0.026105
+    1SOL     O4    4  -0.130736  -0.157768  -0.214835
+    1SOL     H5    5  -0.101149  -0.100433  -0.144126
+    1SOL     H6    6  -0.082322  -0.127884  -0.291812
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080741  -0.045865   0.023228
+    0SOL     H3    3  -0.043609  -0.058202  -0.062234
+    1SOL     O4    4  -0.148565  -0.196863  -0.163250
+    1SOL     H5    5  -0.123504  -0.286386  -0.186056
+    1SOL     H6    6  -0.184352  -0.203769  -0.074741
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/552/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084490   0.023357  -0.038447
+    0SOL     H3    3   0.064694   0.033242  -0.062226
+    1SOL     O4    4   0.127440  -0.259181   0.172393
+    1SOL     H5    5   0.101146  -0.178175   0.216085
+    1SOL     H6    6   0.073981  -0.262095   0.093046
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021658  -0.012220   0.092433
+    0SOL     H3    3  -0.040140  -0.082792  -0.026393
+    1SOL     O4    4  -0.080912  -0.221462  -0.164184
+    1SOL     H5    5  -0.081495  -0.191032  -0.254936
+    1SOL     H6    6  -0.015528  -0.291356  -0.162727
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030623   0.026375   0.086769
+    0SOL     H3    3   0.017857   0.075704  -0.055788
+    1SOL     O4    4  -0.236731  -0.127334   0.033577
+    1SOL     H5    5  -0.160132  -0.079438   0.001938
+    1SOL     H6    6  -0.301671  -0.117427  -0.036043
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026321  -0.040930  -0.082427
+    0SOL     H3    3  -0.082408   0.017982   0.045254
+    1SOL     O4    4  -0.070345  -0.364697  -0.019449
+    1SOL     H5    5  -0.068236  -0.341817   0.073473
+    1SOL     H6    6  -0.151201  -0.414830  -0.029991
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011044  -0.094997  -0.003984
+    0SOL     H3    3  -0.038688   0.025162   0.083860
+    1SOL     O4    4  -0.089868   0.134490   0.218663
+    1SOL     H5    5  -0.135965   0.209039   0.180196
+    1SOL     H6    6  -0.148684   0.102639   0.287136
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026968   0.091629  -0.006255
+    0SOL     H3    3   0.060187  -0.038433   0.063740
+    1SOL     O4    4   0.022378  -0.221326  -0.205106
+    1SOL     H5    5   0.033802  -0.126980  -0.193673
+    1SOL     H6    6  -0.040613  -0.246242  -0.137477
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042754  -0.084901   0.011233
+    0SOL     H3    3  -0.055775  -0.011215  -0.076979
+    1SOL     O4    4   0.328524   0.063040  -0.049646
+    1SOL     H5    5   0.305151   0.071218   0.042816
+    1SOL     H6    6   0.247415   0.082276  -0.096695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/559/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074238  -0.056190   0.022220
+    0SOL     H3    3  -0.064506  -0.059474  -0.038264
+    1SOL     O4    4   0.158986  -0.208177   0.107678
+    1SOL     H5    5   0.237197  -0.156537   0.127138
+    1SOL     H6    6   0.099304  -0.189586   0.180167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/560/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070182   0.008075  -0.064588
+    0SOL     H3    3   0.080587   0.008758  -0.050905
+    1SOL     O4    4  -0.077719   0.223708   0.134499
+    1SOL     H5    5  -0.043800   0.144587   0.092645
+    1SOL     H6    6  -0.011617   0.246498   0.199871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/561/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068778  -0.057738  -0.033139
+    0SOL     H3    3   0.077652  -0.023582  -0.050757
+    1SOL     O4    4   0.076727   0.024005   0.238731
+    1SOL     H5    5   0.150966  -0.036250   0.243226
+    1SOL     H6    6   0.042644   0.013509   0.149902
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/562/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033649   0.064249   0.062467
+    0SOL     H3    3  -0.047356  -0.080592   0.020608
+    1SOL     O4    4  -0.147498  -0.132299   0.201678
+    1SOL     H5    5  -0.159326  -0.213003   0.151584
+    1SOL     H6    6  -0.071517  -0.149495   0.257297
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/563/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017193  -0.015281   0.092915
+    0SOL     H3    3  -0.086802   0.003701  -0.040176
+    1SOL     O4    4  -0.063215  -0.027365   0.275593
+    1SOL     H5    5  -0.025714   0.047005   0.322764
+    1SOL     H6    6  -0.157872  -0.015182   0.282941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/564/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079098   0.051427  -0.016155
+    0SOL     H3    3  -0.021419  -0.053631   0.076337
+    1SOL     O4    4  -0.260183   0.146529  -0.057907
+    1SOL     H5    5  -0.287775   0.166631   0.031519
+    1SOL     H6    6  -0.339735   0.115503  -0.101165
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/565/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087061   0.009879  -0.038538
+    0SOL     H3    3   0.005285   0.069593   0.065508
+    1SOL     O4    4  -0.026434   0.204230   0.179941
+    1SOL     H5    5   0.035784   0.275109   0.163583
+    1SOL     H6    6  -0.004009   0.172309   0.267351
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/566/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029609   0.011672   0.090274
+    0SOL     H3    3  -0.090271  -0.030776   0.008141
+    1SOL     O4    4  -0.141000  -0.340324   0.126185
+    1SOL     H5    5  -0.172232  -0.273297   0.065405
+    1SOL     H6    6  -0.220099  -0.386991   0.153162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/567/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086829  -0.030293  -0.026560
+    0SOL     H3    3  -0.011366   0.029074   0.090486
+    1SOL     O4    4   0.006780   0.077257   0.276918
+    1SOL     H5    5   0.070062   0.147480   0.261870
+    1SOL     H6    6  -0.046455   0.108220   0.350195
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/568/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086555  -0.028739  -0.029062
+    0SOL     H3    3  -0.016785   0.079807   0.050115
+    1SOL     O4    4   0.156488  -0.214186  -0.103309
+    1SOL     H5    5   0.122826  -0.145744  -0.045474
+    1SOL     H6    6   0.207496  -0.271242  -0.045820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/569/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043078  -0.077732   0.035556
+    0SOL     H3    3   0.026198   0.070922   0.058702
+    1SOL     O4    4   0.050394  -0.018569  -0.275397
+    1SOL     H5    5   0.121228  -0.082835  -0.271545
+    1SOL     H6    6   0.030360   0.000585  -0.183778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/570/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010470   0.003619   0.095077
+    0SOL     H3    3   0.072118   0.052891  -0.034116
+    1SOL     O4    4  -0.284971   0.049454  -0.014667
+    1SOL     H5    5  -0.284021  -0.040269   0.018667
+    1SOL     H6    6  -0.193182   0.069044  -0.033464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/571/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033298  -0.087573   0.019610
+    0SOL     H3    3  -0.054454   0.030705  -0.072487
+    1SOL     O4    4   0.133296  -0.269760   0.264419
+    1SOL     H5    5   0.147524  -0.364413   0.263562
+    1SOL     H6    6   0.054838  -0.256802   0.211140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/572/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074452  -0.040628   0.044369
+    0SOL     H3    3  -0.017789   0.079252   0.050645
+    1SOL     O4    4  -0.111535  -0.215565   0.304633
+    1SOL     H5    5  -0.049387  -0.207351   0.232297
+    1SOL     H6    6  -0.179461  -0.150934   0.285370
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/573/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048221   0.006671   0.082417
+    0SOL     H3    3   0.076153   0.056717   0.012093
+    1SOL     O4    4  -0.118892   0.017382   0.238011
+    1SOL     H5    5  -0.209837   0.046439   0.231143
+    1SOL     H6    6  -0.124993  -0.075321   0.261060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/574/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030787  -0.090531  -0.004312
+    0SOL     H3    3   0.065864   0.050066  -0.048143
+    1SOL     O4    4  -0.250433   0.086801  -0.079247
+    1SOL     H5    5  -0.245358   0.182325  -0.082665
+    1SOL     H6    6  -0.159438   0.058207  -0.071199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/575/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005532  -0.029015  -0.091048
+    0SOL     H3    3   0.002751   0.095529  -0.005380
+    1SOL     O4    4  -0.225008  -0.051209   0.092544
+    1SOL     H5    5  -0.301022  -0.021053   0.042797
+    1SOL     H6    6  -0.150453  -0.007719   0.051162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/576/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086880  -0.030855   0.025730
+    0SOL     H3    3   0.059012  -0.036928   0.065697
+    1SOL     O4    4   0.172751  -0.312523  -0.017905
+    1SOL     H5    5   0.160383  -0.280592  -0.107290
+    1SOL     H6    6   0.083972  -0.323538   0.016144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/577/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070377  -0.002365  -0.064837
+    0SOL     H3    3  -0.036189  -0.088613  -0.000619
+    1SOL     O4    4   0.097171   0.120653   0.225466
+    1SOL     H5    5   0.053558   0.062562   0.163131
+    1SOL     H6    6   0.089839   0.075487   0.309540
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/578/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037622   0.013295  -0.087007
+    0SOL     H3    3  -0.023364   0.079092   0.048590
+    1SOL     O4    4  -0.130268   0.060512  -0.232780
+    1SOL     H5    5  -0.154343  -0.022543  -0.273823
+    1SOL     H6    6  -0.213692   0.105076  -0.218054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/579/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038006  -0.081544  -0.032686
+    0SOL     H3    3  -0.071131   0.063763  -0.006085
+    1SOL     O4    4   0.171173   0.185689  -0.091440
+    1SOL     H5    5   0.106775   0.240140  -0.136720
+    1SOL     H6    6   0.125651   0.103036  -0.075358
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/580/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003020   0.015154  -0.094465
+    0SOL     H3    3  -0.093358  -0.001625   0.021072
+    1SOL     O4    4   0.235726  -0.107243   0.120635
+    1SOL     H5    5   0.278323  -0.190811   0.101549
+    1SOL     H6    6   0.144319  -0.120625   0.095574
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/581/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023285   0.090760   0.019564
+    0SOL     H3    3   0.071828  -0.051623   0.036580
+    1SOL     O4    4  -0.023131   0.053994  -0.263753
+    1SOL     H5    5  -0.044320  -0.024506  -0.314261
+    1SOL     H6    6  -0.015589   0.023126  -0.173461
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/582/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057428  -0.076550  -0.002116
+    0SOL     H3    3   0.060285  -0.013195  -0.073171
+    1SOL     O4    4  -0.116074  -0.202073  -0.112299
+    1SOL     H5    5  -0.049323  -0.266911  -0.134720
+    1SOL     H6    6  -0.135957  -0.158462  -0.195155
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/583/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024230  -0.014198   0.091508
+    0SOL     H3    3   0.065104  -0.049249  -0.049984
+    1SOL     O4    4   0.121931  -0.058323  -0.245589
+    1SOL     H5    5   0.076095  -0.026742  -0.323461
+    1SOL     H6    6   0.188532  -0.118108  -0.279536
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/584/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056214   0.017235  -0.075533
+    0SOL     H3    3   0.022459   0.086806   0.033505
+    1SOL     O4    4   0.004877   0.237585   0.139493
+    1SOL     H5    5   0.010586   0.249272   0.234325
+    1SOL     H6    6  -0.080359   0.274193   0.115890
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/585/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054811   0.077794   0.010306
+    0SOL     H3    3   0.085947   0.026709   0.032591
+    1SOL     O4    4   0.061582   0.011563  -0.295836
+    1SOL     H5    5   0.052182  -0.033671  -0.212003
+    1SOL     H6    6  -0.021220  -0.004390  -0.341130
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/586/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005535  -0.090238  -0.031445
+    0SOL     H3    3  -0.083324   0.015006   0.044658
+    1SOL     O4    4   0.169006   0.190075   0.144330
+    1SOL     H5    5   0.139342   0.185891   0.235241
+    1SOL     H6    6   0.123087   0.118265   0.100774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/587/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007800  -0.060227   0.073988
+    0SOL     H3    3   0.048751  -0.042346  -0.070657
+    1SOL     O4    4  -0.173819   0.191412  -0.277719
+    1SOL     H5    5  -0.133838   0.277062  -0.292817
+    1SOL     H6    6  -0.220621   0.201059  -0.194780
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/588/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047059  -0.083353  -0.000018
+    0SOL     H3    3   0.067445   0.065641  -0.017457
+    1SOL     O4    4  -0.046650   0.041390   0.248549
+    1SOL     H5    5   0.025941  -0.018742   0.265192
+    1SOL     H6    6  -0.060899   0.036232   0.154036
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/589/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086281   0.037316   0.018042
+    0SOL     H3    3  -0.016022   0.020068  -0.092211
+    1SOL     O4    4  -0.095178   0.291359  -0.106110
+    1SOL     H5    5  -0.083108   0.196803  -0.097403
+    1SOL     H6    6  -0.175984   0.300692  -0.156564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/590/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053688   0.073191   0.030382
+    0SOL     H3    3   0.015592  -0.052529   0.078485
+    1SOL     O4    4   0.004868  -0.091096  -0.252792
+    1SOL     H5    5   0.021127  -0.047831  -0.168970
+    1SOL     H6    6  -0.089056  -0.109549  -0.252455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/591/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011813  -0.092053   0.023429
+    0SOL     H3    3   0.086386   0.028444  -0.029845
+    1SOL     O4    4  -0.006000  -0.274838  -0.004095
+    1SOL     H5    5  -0.079156  -0.325162  -0.039844
+    1SOL     H6    6   0.066151  -0.337549   0.000794
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/592/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086315  -0.004194  -0.041163
+    0SOL     H3    3  -0.059873  -0.034527  -0.066223
+    1SOL     O4    4  -0.004719  -0.141816  -0.242277
+    1SOL     H5    5   0.003623  -0.068523  -0.303277
+    1SOL     H6    6  -0.069110  -0.199744  -0.283026
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/593/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056805  -0.062718  -0.044743
+    0SOL     H3    3  -0.021517   0.084415  -0.039668
+    1SOL     O4    4  -0.082729   0.238807  -0.141378
+    1SOL     H5    5  -0.155519   0.268540  -0.086790
+    1SOL     H6    6  -0.038334   0.319288  -0.168098
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/594/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025090   0.011715   0.091627
+    0SOL     H3    3  -0.041930   0.082590  -0.024149
+    1SOL     O4    4  -0.157342   0.228240   0.014172
+    1SOL     H5    5  -0.124596   0.317380   0.026175
+    1SOL     H6    6  -0.212278   0.212316   0.090923
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/595/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051601   0.068272   0.042879
+    0SOL     H3    3  -0.017502   0.034557  -0.087531
+    1SOL     O4    4   0.167967   0.201769   0.136540
+    1SOL     H5    5   0.091944   0.244101   0.176425
+    1SOL     H6    6   0.206584   0.150173   0.207314
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086612  -0.005060  -0.040436
+    0SOL     H3    3   0.014973  -0.022843   0.091741
+    1SOL     O4    4   0.244935  -0.065315  -0.091959
+    1SOL     H5    5   0.310361  -0.095397  -0.028896
+    1SOL     H6    6   0.238604  -0.136416  -0.155731
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062326   0.054935  -0.047539
+    0SOL     H3    3   0.078286  -0.000656  -0.055074
+    1SOL     O4    4  -0.135269  -0.225409   0.022606
+    1SOL     H5    5  -0.099768  -0.145570  -0.016481
+    1SOL     H6    6  -0.154175  -0.282305  -0.052012
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035608  -0.049851   0.073548
+    0SOL     H3    3  -0.074625   0.049499  -0.033812
+    1SOL     O4    4   0.052580  -0.061113  -0.270190
+    1SOL     H5    5   0.068362  -0.046994  -0.176841
+    1SOL     H6    6   0.138001  -0.086032  -0.305470
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039043   0.086293  -0.013836
+    0SOL     H3    3  -0.057910  -0.060296  -0.046617
+    1SOL     O4    4  -0.097230   0.246126  -0.000384
+    1SOL     H5    5  -0.140298   0.215536   0.079439
+    1SOL     H6    6  -0.019943   0.293322   0.030624
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038568  -0.074164   0.046632
+    0SOL     H3    3   0.001285  -0.026233  -0.092046
+    1SOL     O4    4   0.227676   0.149629   0.042651
+    1SOL     H5    5   0.148463   0.108214   0.008412
+    1SOL     H6    6   0.269050   0.081812   0.096050
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023091   0.037011  -0.085202
+    0SOL     H3    3   0.016205   0.070951   0.062174
+    1SOL     O4    4   0.024349   0.137348   0.226468
+    1SOL     H5    5  -0.068081   0.162223   0.226961
+    1SOL     H6    6   0.031835   0.071445   0.295484
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025051  -0.065611  -0.065038
+    0SOL     H3    3  -0.057739   0.074330  -0.017425
+    1SOL     O4    4  -0.342689  -0.124445   0.029439
+    1SOL     H5    5  -0.287098  -0.078582   0.092436
+    1SOL     H6    6  -0.338290  -0.070977  -0.049833
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003666  -0.034125   0.089355
+    0SOL     H3    3   0.087989   0.033955  -0.016351
+    1SOL     O4    4  -0.121939  -0.327185   0.111643
+    1SOL     H5    5  -0.084628  -0.253977   0.160743
+    1SOL     H6    6  -0.203115  -0.292420   0.074709
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/004/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088919  -0.008908   0.034297
+    0SOL     H3    3   0.046375   0.050913   0.066479
+    1SOL     O4    4   0.187549  -0.187212   0.060845
+    1SOL     H5    5   0.149377  -0.262814   0.105449
+    1SOL     H6    6   0.112439  -0.132623   0.037592
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082646  -0.043400   0.021176
+    0SOL     H3    3   0.064305  -0.070851  -0.002719
+    1SOL     O4    4   0.053826   0.141999   0.219384
+    1SOL     H5    5   0.119920   0.211041   0.224593
+    1SOL     H6    6   0.062050   0.107565   0.130452
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/006/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095390  -0.001952  -0.007694
+    0SOL     H3    3  -0.018435  -0.046258   0.081748
+    1SOL     O4    4  -0.026887  -0.172591  -0.222778
+    1SOL     H5    5  -0.027920  -0.135755  -0.134436
+    1SOL     H6    6  -0.041478  -0.097468  -0.280276
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016704   0.032832   0.088348
+    0SOL     H3    3  -0.045301  -0.084259  -0.003254
+    1SOL     O4    4   0.101474  -0.247044   0.228874
+    1SOL     H5    5   0.072275  -0.320470   0.282897
+    1SOL     H6    6   0.103854  -0.282188   0.139871
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078678   0.050110   0.021471
+    0SOL     H3    3   0.015424  -0.054645   0.077061
+    1SOL     O4    4  -0.057918  -0.111664   0.249226
+    1SOL     H5    5  -0.089196  -0.057476   0.321667
+    1SOL     H6    6  -0.001742  -0.177116   0.290731
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002842  -0.038482  -0.087598
+    0SOL     H3    3  -0.091341   0.020134   0.020343
+    1SOL     O4    4  -0.259358   0.035189   0.098480
+    1SOL     H5    5  -0.291413  -0.040075   0.148179
+    1SOL     H6    6  -0.338615   0.078879   0.067304
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/010/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060354   0.071787  -0.019141
+    0SOL     H3    3  -0.014250  -0.019271   0.092671
+    1SOL     O4    4  -0.054855  -0.159217  -0.239802
+    1SOL     H5    5  -0.065603  -0.117882  -0.154138
+    1SOL     H6    6   0.038683  -0.178735  -0.245463
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017355   0.067443  -0.065670
+    0SOL     H3    3  -0.074689  -0.059521  -0.006410
+    1SOL     O4    4  -0.068299   0.130044   0.229871
+    1SOL     H5    5  -0.021748   0.082574   0.161010
+    1SOL     H6    6   0.000949   0.170101   0.282430
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009066  -0.041575  -0.085742
+    0SOL     H3    3  -0.073589   0.060348  -0.010251
+    1SOL     O4    4  -0.052868  -0.152645   0.217982
+    1SOL     H5    5  -0.025614  -0.090815   0.285780
+    1SOL     H6    6  -0.052169  -0.101433   0.137116
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/013/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054326   0.059061   0.052180
+    0SOL     H3    3  -0.075269  -0.019105   0.055964
+    1SOL     O4    4   0.263113  -0.193847   0.038424
+    1SOL     H5    5   0.251227  -0.127198   0.106091
+    1SOL     H6    6   0.339955  -0.243387   0.066768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/014/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030345   0.023628   0.087654
+    0SOL     H3    3   0.003553   0.083097  -0.047377
+    1SOL     O4    4   0.022855   0.255908  -0.155425
+    1SOL     H5    5   0.110121   0.241103  -0.191865
+    1SOL     H6    6  -0.028397   0.289714  -0.228860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/015/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026535  -0.054487   0.074090
+    0SOL     H3    3   0.060120   0.074451   0.002216
+    1SOL     O4    4  -0.108549   0.219569  -0.260233
+    1SOL     H5    5  -0.120480   0.248338  -0.169722
+    1SOL     H6    6  -0.013706   0.219723  -0.273161
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/016/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015992   0.068212  -0.065221
+    0SOL     H3    3  -0.055858   0.041974   0.065424
+    1SOL     O4    4  -0.242678   0.080930   0.099881
+    1SOL     H5    5  -0.270949   0.141319   0.031207
+    1SOL     H6    6  -0.295633   0.002397   0.086073
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033323  -0.033100  -0.083404
+    0SOL     H3    3   0.070690   0.054844   0.034020
+    1SOL     O4    4  -0.006549  -0.108282   0.267758
+    1SOL     H5    5  -0.001967  -0.038542   0.333161
+    1SOL     H6    6  -0.018157  -0.062422   0.184545
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088564   0.021405   0.029336
+    0SOL     H3    3   0.030713  -0.065766   0.062401
+    1SOL     O4    4   0.315432  -0.108392   0.039970
+    1SOL     H5    5   0.345834  -0.187979   0.083603
+    1SOL     H6    6   0.235202  -0.134850  -0.005035
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/019/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021742   0.047431  -0.080249
+    0SOL     H3    3   0.080122  -0.047371   0.022334
+    1SOL     O4    4   0.064013   0.117476  -0.224527
+    1SOL     H5    5   0.148458   0.162464  -0.227256
+    1SOL     H6    6   0.064146   0.061456  -0.302142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/020/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075987  -0.026137  -0.052011
+    0SOL     H3    3  -0.054815   0.049573  -0.060829
+    1SOL     O4    4  -0.239078  -0.112373  -0.045981
+    1SOL     H5    5  -0.307177  -0.121027   0.020727
+    1SOL     H6    6  -0.162931  -0.079233   0.001619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/021/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091928   0.014290  -0.022525
+    0SOL     H3    3   0.001495  -0.086471   0.041022
+    1SOL     O4    4   0.237984  -0.090334  -0.081679
+    1SOL     H5    5   0.147821  -0.058210  -0.082718
+    1SOL     H6    6   0.254160  -0.119346  -0.171450
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/022/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090854  -0.028052   0.010998
+    0SOL     H3    3  -0.033325   0.008962   0.089283
+    1SOL     O4    4  -0.160050   0.321003   0.156193
+    1SOL     H5    5  -0.246708   0.296831   0.123507
+    1SOL     H6    6  -0.175269   0.399551   0.208737
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/023/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083870  -0.017787  -0.042564
+    0SOL     H3    3  -0.013281   0.083242   0.045352
+    1SOL     O4    4   0.247051   0.060321  -0.092134
+    1SOL     H5    5   0.152476   0.045565  -0.091750
+    1SOL     H6    6   0.265420   0.096000  -0.179036
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/024/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003900   0.067587   0.067669
+    0SOL     H3    3   0.027024   0.044740  -0.080190
+    1SOL     O4    4   0.041586   0.120718  -0.247973
+    1SOL     H5    5   0.081849   0.079747  -0.324541
+    1SOL     H6    6  -0.029523   0.173847  -0.283793
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076333  -0.055040   0.017499
+    0SOL     H3    3   0.036747   0.085028  -0.024130
+    1SOL     O4    4  -0.251943   0.065618   0.059801
+    1SOL     H5    5  -0.158997   0.042838   0.057687
+    1SOL     H6    6  -0.264475   0.107423   0.144992
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031334  -0.062378  -0.065494
+    0SOL     H3    3  -0.078049   0.023193   0.050326
+    1SOL     O4    4  -0.135959  -0.183740  -0.146280
+    1SOL     H5    5  -0.188266  -0.116348  -0.189693
+    1SOL     H6    6  -0.115779  -0.246733  -0.215468
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019782   0.080602  -0.047690
+    0SOL     H3    3   0.085622  -0.034682   0.025067
+    1SOL     O4    4  -0.027112   0.246894  -0.162083
+    1SOL     H5    5  -0.042726   0.190282  -0.237671
+    1SOL     H6    6  -0.109385   0.294365  -0.150252
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081139   0.033159  -0.038461
+    0SOL     H3    3  -0.027521  -0.074260   0.053762
+    1SOL     O4    4  -0.209625   0.166819  -0.136546
+    1SOL     H5    5  -0.192851   0.229510  -0.066184
+    1SOL     H6    6  -0.217122   0.220631  -0.215352
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081243   0.041512   0.028959
+    0SOL     H3    3   0.067426   0.066316   0.014774
+    1SOL     O4    4  -0.255398   0.029085   0.068015
+    1SOL     H5    5  -0.332232   0.067488   0.025777
+    1SOL     H6    6  -0.291303  -0.026479   0.137194
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066850  -0.046458  -0.050349
+    0SOL     H3    3   0.038296  -0.067013   0.056612
+    1SOL     O4    4   0.041625   0.209421   0.147923
+    1SOL     H5    5   0.010845   0.132571   0.099871
+    1SOL     H6    6   0.127932   0.227904   0.110885
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058105  -0.072758   0.022190
+    0SOL     H3    3   0.006153   0.059321   0.074870
+    1SOL     O4    4   0.075720   0.063147  -0.255538
+    1SOL     H5    5   0.032206   0.024578  -0.179503
+    1SOL     H6    6   0.084825  -0.009386  -0.317332
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+    6
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+    0SOL     H2    2   0.001250   0.055607   0.077902
+    0SOL     H3    3   0.059923  -0.071705   0.020734
+    1SOL     O4    4   0.176460  -0.182120   0.103198
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+    1SOL     H6    6   0.254257  -0.190485   0.048062
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+    6
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+    1SOL     H5    5   0.294932  -0.162158  -0.084279
+    1SOL     H6    6   0.195324  -0.125696  -0.192296
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+    6
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+    0SOL     H2    2   0.001254   0.006072   0.095519
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+    1SOL     H5    5   0.280432   0.018127  -0.139737
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+    6
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+    1SOL     H5    5  -0.229109  -0.206278   0.033582
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+    6
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+    0SOL     H2    2   0.080040  -0.033304   0.040580
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+    6
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+    6
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+    1SOL     H5    5  -0.239055  -0.195944   0.067090
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+    6
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+    1SOL     H5    5  -0.034218   0.114155  -0.154255
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+    6
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+    6
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+    6
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+    1SOL     H5    5   0.277856  -0.121665  -0.147606
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+    0SOL     H2    2  -0.095215   0.005251  -0.008304
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+    1SOL     H5    5   0.056991   0.176113  -0.247250
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+    6
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+    0SOL     H2    2   0.014250   0.028595  -0.090231
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+    6
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+    6
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+    0SOL     H2    2  -0.091194   0.026169  -0.012690
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+    6
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+    6
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+    6
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+    6
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+    6
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+    6
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+    6
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+    0SOL     H2    2  -0.092764   0.023010   0.005259
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+    6
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+    1SOL     O4    4   0.060161   0.232779  -0.146236
+    1SOL     H5    5   0.013105   0.274957  -0.218132
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+    6
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+    0SOL     H2    2  -0.068693  -0.048058  -0.046196
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+    6
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+    6
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+    6
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+    6
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+    6
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+    1SOL     H5    5   0.047850  -0.291416  -0.178673
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+    6
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+    1SOL     H5    5   0.044824  -0.084926  -0.150182
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+    6
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+    1SOL     H5    5  -0.100216   0.247139  -0.213787
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
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+    0SOL     H3    3   0.015971   0.077877  -0.053315
+    1SOL     O4    4   0.190706  -0.207598   0.031273
+    1SOL     H5    5   0.269567  -0.156097   0.014218
+    1SOL     H6    6   0.120025  -0.143104   0.033897
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007042   0.029482  -0.090794
+    0SOL     H3    3   0.009363   0.080616   0.050751
+    1SOL     O4    4   0.156102  -0.206712   0.055637
+    1SOL     H5    5   0.102859  -0.127393   0.049646
+    1SOL     H6    6   0.244488  -0.178084   0.032605
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026337   0.053153   0.075123
+    0SOL     H3    3  -0.093476   0.017791  -0.010395
+    1SOL     O4    4   0.011418   0.092917  -0.278874
+    1SOL     H5    5   0.016055   0.021814  -0.214959
+    1SOL     H6    6  -0.071486   0.136850  -0.259926
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003428   0.057545  -0.076415
+    0SOL     H3    3  -0.030336   0.054595   0.072536
+    1SOL     O4    4  -0.162626  -0.182777  -0.104011
+    1SOL     H5    5  -0.085018  -0.141768  -0.065834
+    1SOL     H6    6  -0.129520  -0.230773  -0.179923
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091212  -0.021748  -0.019231
+    0SOL     H3    3  -0.003027   0.090251   0.031748
+    1SOL     O4    4   0.021285   0.299574  -0.175875
+    1SOL     H5    5   0.076573   0.345284  -0.112502
+    1SOL     H6    6  -0.002225   0.366646  -0.239991
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012765  -0.068340  -0.065795
+    0SOL     H3    3  -0.005037  -0.046076   0.083749
+    1SOL     O4    4  -0.178338   0.202404  -0.069181
+    1SOL     H5    5  -0.169243   0.263292   0.004114
+    1SOL     H6    6  -0.114750   0.133221  -0.050940
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091317  -0.019447   0.021101
+    0SOL     H3    3   0.002872   0.085909  -0.042115
+    1SOL     O4    4  -0.240113   0.066272   0.123421
+    1SOL     H5    5  -0.149292   0.065288   0.093206
+    1SOL     H6    6  -0.288422   0.109249   0.052841
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005312   0.068953   0.066179
+    0SOL     H3    3   0.033904   0.044074  -0.077912
+    1SOL     O4    4   0.000392   0.157411   0.219458
+    1SOL     H5    5   0.025872   0.099698   0.291446
+    1SOL     H6    6  -0.075828   0.204896   0.252594
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089177  -0.026970   0.021964
+    0SOL     H3    3   0.050693  -0.081180   0.001550
+    1SOL     O4    4   0.018153   0.216368   0.181563
+    1SOL     H5    5   0.033122   0.168247   0.100183
+    1SOL     H6    6   0.095050   0.272639   0.190661
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/077/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039236  -0.080283  -0.034314
+    0SOL     H3    3   0.068053   0.038176   0.055442
+    1SOL     O4    4  -0.007323  -0.245736  -0.168248
+    1SOL     H5    5   0.067957  -0.304156  -0.159183
+    1SOL     H6    6   0.001624  -0.208496  -0.255972
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069997  -0.051736  -0.039825
+    0SOL     H3    3   0.058946  -0.064909   0.038399
+    1SOL     O4    4   0.311024   0.084367   0.051042
+    1SOL     H5    5   0.298528   0.058769   0.142425
+    1SOL     H6    6   0.321987   0.001604   0.004220
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000062  -0.047280   0.083228
+    0SOL     H3    3   0.090610   0.028684  -0.011373
+    1SOL     O4    4   0.133825   0.232319  -0.272791
+    1SOL     H5    5   0.128938   0.289149  -0.349660
+    1SOL     H6    6   0.054588   0.178817  -0.277424
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032228  -0.061187   0.066180
+    0SOL     H3    3   0.066507   0.051690   0.045467
+    1SOL     O4    4  -0.128791   0.151573  -0.186143
+    1SOL     H5    5  -0.104012   0.102591  -0.107727
+    1SOL     H6    6  -0.151304   0.238816  -0.153829
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004606  -0.075540   0.058607
+    0SOL     H3    3  -0.089204   0.034680  -0.001506
+    1SOL     O4    4   0.280741  -0.207395   0.024221
+    1SOL     H5    5   0.343358  -0.278903   0.035535
+    1SOL     H6    6   0.199097  -0.250705  -0.000695
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/082/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062881   0.072019  -0.004644
+    0SOL     H3    3   0.085613   0.042804  -0.000787
+    1SOL     O4    4   0.275105  -0.000519  -0.021716
+    1SOL     H5    5   0.276227  -0.045943  -0.105965
+    1SOL     H6    6   0.273947  -0.070695   0.043371
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/083/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015845   0.064375  -0.069045
+    0SOL     H3    3  -0.094218  -0.016479  -0.003716
+    1SOL     O4    4   0.197598  -0.178348   0.054056
+    1SOL     H5    5   0.130676  -0.111997   0.037284
+    1SOL     H6    6   0.165825  -0.256463   0.008771
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/084/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028053  -0.059314  -0.069693
+    0SOL     H3    3  -0.019019  -0.057427   0.074180
+    1SOL     O4    4  -0.150752  -0.302279   0.021859
+    1SOL     H5    5  -0.155120  -0.351360   0.103922
+    1SOL     H6    6  -0.057511  -0.284565   0.009424
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082787  -0.009187   0.047161
+    0SOL     H3    3  -0.062156   0.030122   0.066269
+    1SOL     O4    4   0.233567  -0.021503   0.112906
+    1SOL     H5    5   0.276041   0.028253   0.182782
+    1SOL     H6    6   0.301101  -0.030992   0.045739
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/086/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067679  -0.047987  -0.047741
+    0SOL     H3    3   0.079167  -0.011491  -0.052563
+    1SOL     O4    4   0.257425   0.020332  -0.077847
+    1SOL     H5    5   0.275137   0.086727  -0.011212
+    1SOL     H6    6   0.264172   0.067343  -0.160955
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+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/087/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068635   0.049777   0.044427
+    0SOL     H3    3  -0.075530   0.005768   0.058518
+    1SOL     O4    4  -0.005403  -0.191802  -0.205394
+    1SOL     H5    5   0.012993  -0.166590  -0.295883
+    1SOL     H6    6   0.006058  -0.111110  -0.155196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/088/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026600   0.003190  -0.091895
+    0SOL     H3    3   0.042440   0.084359   0.015641
+    1SOL     O4    4   0.056465   0.248399   0.135682
+    1SOL     H5    5   0.129454   0.281147   0.188241
+    1SOL     H6    6  -0.009376   0.221911   0.199913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/089/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051466  -0.056007   0.058110
+    0SOL     H3    3  -0.074932   0.027157   0.053009
+    1SOL     O4    4  -0.013004   0.261042   0.189401
+    1SOL     H5    5  -0.080405   0.310702   0.142997
+    1SOL     H6    6   0.030784   0.325815   0.244622
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/090/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054294   0.033009  -0.071588
+    0SOL     H3    3   0.074564  -0.041334  -0.043521
+    1SOL     O4    4   0.136810  -0.348374  -0.041771
+    1SOL     H5    5   0.201802  -0.286107  -0.009196
+    1SOL     H6    6   0.176029  -0.384651  -0.121195
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/091/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039728   0.030734   0.081483
+    0SOL     H3    3   0.060381  -0.069073   0.027301
+    1SOL     O4    4  -0.137705  -0.222079  -0.145797
+    1SOL     H5    5  -0.178605  -0.169311  -0.214391
+    1SOL     H6    6  -0.076275  -0.162413  -0.103035
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/092/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093044  -0.020649  -0.008871
+    0SOL     H3    3  -0.005883   0.049677   0.081608
+    1SOL     O4    4   0.046079   0.074027   0.268899
+    1SOL     H5    5  -0.017191   0.069450   0.340581
+    1SOL     H6    6   0.108756   0.004171   0.287714
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/093/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024251   0.056801   0.073129
+    0SOL     H3    3   0.050987  -0.079844   0.013696
+    1SOL     O4    4  -0.323826  -0.016566  -0.002017
+    1SOL     H5    5  -0.396558  -0.074484  -0.024777
+    1SOL     H6    6  -0.248649  -0.075048   0.007499
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/094/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080554   0.028519  -0.043128
+    0SOL     H3    3  -0.029045  -0.063331   0.065634
+    1SOL     O4    4  -0.034609  -0.203659   0.177461
+    1SOL     H5    5   0.048653  -0.250797   0.180258
+    1SOL     H6    6  -0.100760  -0.272291   0.168744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/095/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091865  -0.004792   0.026462
+    0SOL     H3    3   0.011398   0.089851  -0.030970
+    1SOL     O4    4  -0.256439   0.010873   0.061363
+    1SOL     H5    5  -0.261451   0.078114  -0.006578
+    1SOL     H6    6  -0.273164   0.057957   0.143007
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/096/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035484  -0.073457   0.050073
+    0SOL     H3    3  -0.069057  -0.038746  -0.053780
+    1SOL     O4    4  -0.043567   0.231189   0.156970
+    1SOL     H5    5  -0.120372   0.284103   0.135445
+    1SOL     H6    6  -0.040729   0.164133   0.088723
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/097/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042865  -0.084621   0.012813
+    0SOL     H3    3  -0.017119   0.048080   0.080979
+    1SOL     O4    4   0.006418   0.235969  -0.132576
+    1SOL     H5    5  -0.051099   0.258271  -0.205765
+    1SOL     H6    6  -0.021739   0.148518  -0.105709
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/098/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085646   0.041105   0.011728
+    0SOL     H3    3   0.055970   0.070202  -0.033187
+    1SOL     O4    4  -0.239740   0.088452   0.099072
+    1SOL     H5    5  -0.283167   0.029702   0.160917
+    1SOL     H6    6  -0.311426   0.132795   0.053716
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092084   0.023050  -0.012309
+    0SOL     H3    3   0.025010   0.043722   0.081396
+    1SOL     O4    4  -0.022293  -0.107035  -0.362043
+    1SOL     H5    5   0.025525  -0.042183  -0.310371
+    1SOL     H6    6   0.033766  -0.184615  -0.361010
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009275   0.076403   0.056911
+    0SOL     H3    3   0.021190  -0.074516   0.056220
+    1SOL     O4    4   0.253588  -0.012602  -0.066449
+    1SOL     H5    5   0.157974  -0.010491  -0.062470
+    1SOL     H6    6   0.281264   0.066921  -0.020924
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087552  -0.033618  -0.019153
+    0SOL     H3    3   0.041227  -0.068800   0.052243
+    1SOL     O4    4  -0.195669  -0.176917  -0.055534
+    1SOL     H5    5  -0.276889  -0.126582  -0.061195
+    1SOL     H6    6  -0.213588  -0.244065   0.010288
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/102/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080345  -0.018458   0.048645
+    0SOL     H3    3   0.048115  -0.082744   0.000851
+    1SOL     O4    4   0.163918  -0.221108   0.002874
+    1SOL     H5    5   0.238157  -0.210288   0.062320
+    1SOL     H6    6   0.120026  -0.300470   0.033491
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009160  -0.071930   0.062486
+    0SOL     H3    3  -0.043850   0.074000   0.041994
+    1SOL     O4    4   0.068643   0.313416  -0.142202
+    1SOL     H5    5  -0.002540   0.255927  -0.170316
+    1SOL     H6    6   0.108020   0.344487  -0.223727
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007370  -0.093082  -0.021063
+    0SOL     H3    3  -0.066883   0.032965  -0.060019
+    1SOL     O4    4  -0.224111   0.056878  -0.164544
+    1SOL     H5    5  -0.253232   0.118634  -0.231630
+    1SOL     H6    6  -0.305078   0.022831  -0.126497
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+    6
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+    0SOL     H2    2  -0.085458  -0.041465  -0.011830
+    0SOL     H3    3   0.040736  -0.003868  -0.086533
+    1SOL     O4    4   0.263623   0.027279   0.232872
+    1SOL     H5    5   0.339297   0.080368   0.208027
+    1SOL     H6    6   0.258937  -0.040749   0.165696
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093901  -0.013213   0.013050
+    0SOL     H3    3   0.006354   0.046074  -0.083661
+    1SOL     O4    4   0.175292  -0.203846   0.011964
+    1SOL     H5    5   0.116616  -0.129322   0.024831
+    1SOL     H6    6   0.260321  -0.173159   0.043439
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088345   0.020033  -0.030923
+    0SOL     H3    3  -0.024249   0.075349   0.053822
+    1SOL     O4    4   0.264824   0.071086  -0.035142
+    1SOL     H5    5   0.322197   0.107978   0.032012
+    1SOL     H6    6   0.277535   0.127670  -0.111294
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092753  -0.016434   0.017005
+    0SOL     H3    3   0.015874  -0.038837  -0.086035
+    1SOL     O4    4   0.100835   0.214273   0.336021
+    1SOL     H5    5   0.101240   0.284907   0.400619
+    1SOL     H6    6   0.145377   0.141625   0.379616
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088000  -0.037514   0.003318
+    0SOL     H3    3   0.011016   0.027338  -0.091069
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+    1SOL     H5    5  -0.284834  -0.163199  -0.191300
+    1SOL     H6    6  -0.187156  -0.237676  -0.102806
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076639  -0.014989  -0.055354
+    0SOL     H3    3  -0.008221   0.091098   0.028212
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+    1SOL     H5    5  -0.048919  -0.228864   0.178363
+    1SOL     H6    6  -0.000168  -0.087588   0.154207
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+    6
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+    0SOL     H2    2   0.004692  -0.063133  -0.071795
+    0SOL     H3    3   0.090653   0.010131   0.029012
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+    1SOL     H5    5  -0.178667  -0.030357   0.035966
+    1SOL     H6    6  -0.315773   0.027087   0.007315
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+    6
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+    0SOL     H2    2   0.055163   0.066099  -0.041837
+    0SOL     H3    3   0.056976  -0.041187   0.064959
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+    1SOL     H5    5   0.331705  -0.204315   0.024065
+    1SOL     H6    6   0.293739  -0.070452   0.083715
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058041   0.056719  -0.050760
+    0SOL     H3    3   0.083593   0.046600   0.001743
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+    1SOL     H5    5   0.030831  -0.201208   0.178805
+    1SOL     H6    6  -0.066983  -0.107143   0.111699
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060582   0.062860   0.039252
+    0SOL     H3    3   0.062068   0.053897  -0.049040
+    1SOL     O4    4   0.154632  -0.166449   0.201851
+    1SOL     H5    5   0.123566  -0.202014   0.285112
+    1SOL     H6    6   0.095890  -0.093090   0.183679
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074838  -0.018936   0.056595
+    0SOL     H3    3  -0.001157  -0.069811  -0.065478
+    1SOL     O4    4   0.114919  -0.031025   0.289869
+    1SOL     H5    5   0.067790  -0.105139   0.251813
+    1SOL     H6    6   0.048086   0.036511   0.301471
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043051  -0.085170   0.007417
+    0SOL     H3    3   0.093151  -0.019168   0.010856
+    1SOL     O4    4  -0.212892   0.082336   0.177974
+    1SOL     H5    5  -0.137600   0.076664   0.119141
+    1SOL     H6    6  -0.230866   0.176092   0.184978
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066210   0.066455  -0.019034
+    0SOL     H3    3  -0.027558  -0.038151   0.083351
+    1SOL     O4    4   0.006026  -0.138135  -0.235250
+    1SOL     H5    5  -0.015773  -0.071622  -0.300543
+    1SOL     H6    6  -0.001828  -0.092832  -0.151296
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026958  -0.027484  -0.087637
+    0SOL     H3    3  -0.088345   0.034869  -0.011899
+    1SOL     O4    4   0.050042   0.011063  -0.265146
+    1SOL     H5    5   0.012060   0.096861  -0.284075
+    1SOL     H6    6   0.140162   0.029953  -0.238993
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008748   0.016376  -0.093902
+    0SOL     H3    3  -0.012648   0.085757   0.040597
+    1SOL     O4    4   0.133689   0.383025  -0.045967
+    1SOL     H5    5   0.107036   0.337376   0.033833
+    1SOL     H6    6   0.183223   0.317807  -0.095517
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034456   0.051274   0.073117
+    0SOL     H3    3   0.008763  -0.091025   0.028285
+    1SOL     O4    4   0.256611   0.091049   0.138158
+    1SOL     H5    5   0.206760   0.172681   0.134496
+    1SOL     H6    6   0.320015   0.104786   0.208539
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045848   0.084015   0.001345
+    0SOL     H3    3   0.091999   0.022645   0.013626
+    1SOL     O4    4   0.168948   0.232664  -0.172664
+    1SOL     H5    5   0.256615   0.205947  -0.200286
+    1SOL     H6    6   0.138698   0.291183  -0.242111
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002255   0.068695   0.066620
+    0SOL     H3    3  -0.010179   0.046670  -0.082950
+    1SOL     O4    4  -0.060030   0.079027  -0.255049
+    1SOL     H5    5  -0.139152   0.132842  -0.257490
+    1SOL     H6    6  -0.084146  -0.001215  -0.301330
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066474  -0.068337  -0.008581
+    0SOL     H3    3   0.046017   0.073227   0.041019
+    1SOL     O4    4   0.131265   0.057605   0.298315
+    1SOL     H5    5   0.216702   0.016814   0.284209
+    1SOL     H6    6   0.069504  -0.015524   0.298562
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066061   0.045002  -0.052661
+    0SOL     H3    3  -0.046660  -0.073934   0.038974
+    1SOL     O4    4  -0.192223   0.130769  -0.110978
+    1SOL     H5    5  -0.265175   0.086494  -0.154338
+    1SOL     H6    6  -0.233800   0.196389  -0.055052
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060041   0.028166  -0.069022
+    0SOL     H3    3   0.016853  -0.092282  -0.019036
+    1SOL     O4    4   0.174963   0.003629   0.233372
+    1SOL     H5    5   0.139433   0.039223   0.151928
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000399   0.005110  -0.095583
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+    1SOL     H5    5  -0.050595  -0.079118  -0.292904
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056653   0.028126  -0.071845
+    0SOL     H3    3   0.086284  -0.010367  -0.040124
+    1SOL     O4    4  -0.015397  -0.288741  -0.214784
+    1SOL     H5    5   0.005329  -0.309477  -0.305904
+    1SOL     H6    6  -0.104001  -0.322633  -0.202015
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059716   0.055468  -0.050196
+    0SOL     H3    3  -0.052001  -0.077202   0.022318
+    1SOL     O4    4  -0.097478  -0.095318  -0.301424
+    1SOL     H5    5  -0.038632  -0.033627  -0.257908
+    1SOL     H6    6  -0.072940  -0.180848  -0.266142
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071279  -0.046790  -0.043501
+    0SOL     H3    3  -0.043204   0.071575   0.046612
+    1SOL     O4    4  -0.015236   0.219428   0.148220
+    1SOL     H5    5   0.076511   0.246507   0.151601
+    1SOL     H6    6  -0.030101   0.174567   0.231460
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084760  -0.043750  -0.008002
+    0SOL     H3    3  -0.064285  -0.070225  -0.009910
+    1SOL     O4    4  -0.137427   0.108157  -0.205868
+    1SOL     H5    5  -0.077273   0.065138  -0.145096
+    1SOL     H6    6  -0.080673   0.158677  -0.264084
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082385  -0.043839   0.021286
+    0SOL     H3    3  -0.027236  -0.039094  -0.083019
+    1SOL     O4    4  -0.143302  -0.153713   0.252725
+    1SOL     H5    5  -0.115517  -0.185288   0.338709
+    1SOL     H6    6  -0.238930  -0.153700   0.256914
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079283  -0.036570  -0.039231
+    0SOL     H3    3   0.020128   0.006290   0.093368
+    1SOL     O4    4   0.066328   0.242090  -0.097974
+    1SOL     H5    5   0.160674   0.258066  -0.095539
+    1SOL     H6    6   0.056353   0.152360  -0.066173
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015827   0.092379   0.019441
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+    1SOL     O4    4   0.001504  -0.083410  -0.256889
+    1SOL     H5    5   0.073637  -0.141575  -0.232890
+    1SOL     H6    6  -0.061053  -0.140105  -0.301995
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085792   0.041566   0.008621
+    0SOL     H3    3  -0.019353  -0.093280  -0.009304
+    1SOL     O4    4   0.218108   0.174552  -0.208821
+    1SOL     H5    5   0.301618   0.163608  -0.163339
+    1SOL     H6    6   0.200922   0.089081  -0.248340
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036216   0.065337  -0.059848
+    0SOL     H3    3  -0.035048   0.023989   0.085781
+    1SOL     O4    4  -0.148341   0.164913  -0.140493
+    1SOL     H5    5  -0.232200   0.120920  -0.154438
+    1SOL     H6    6  -0.156699   0.247932  -0.187402
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037565   0.026339   0.084009
+    0SOL     H3    3   0.094628   0.002386   0.014221
+    1SOL     O4    4   0.006788   0.194562  -0.204523
+    1SOL     H5    5   0.087212   0.176849  -0.253314
+    1SOL     H6    6  -0.006963   0.116005  -0.151588
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075398   0.004660  -0.058785
+    0SOL     H3    3   0.073523   0.031208  -0.052751
+    1SOL     O4    4  -0.006490  -0.236512   0.121388
+    1SOL     H5    5  -0.000632  -0.162963   0.060408
+    1SOL     H6    6  -0.074742  -0.210883   0.183413
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024582   0.088883   0.025647
+    0SOL     H3    3  -0.075959  -0.033004  -0.047993
+    1SOL     O4    4   0.241478  -0.110010  -0.020380
+    1SOL     H5    5   0.166888  -0.050914  -0.030694
+    1SOL     H6    6   0.301287  -0.085727  -0.091060
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067879   0.007096   0.067115
+    0SOL     H3    3   0.048022  -0.017378  -0.080958
+    1SOL     O4    4   0.364765   0.041821   0.027408
+    1SOL     H5    5   0.450037   0.032967   0.069982
+    1SOL     H6    6   0.378633   0.107716  -0.040621
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059584   0.059474   0.045551
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+    1SOL     O4    4  -0.250210   0.043840   0.209698
+    1SOL     H5    5  -0.209242  -0.042306   0.201766
+    1SOL     H6    6  -0.216599   0.078895   0.292184
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093725   0.019161  -0.003273
+    0SOL     H3    3  -0.041326   0.074932  -0.042891
+    1SOL     O4    4   0.163149   0.184194  -0.177567
+    1SOL     H5    5   0.143378   0.199190  -0.270015
+    1SOL     H6    6   0.199417   0.095654  -0.174838
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/142/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062906   0.041301   0.059156
+    0SOL     H3    3  -0.016715  -0.085854   0.038884
+    1SOL     O4    4  -0.192832   0.126850  -0.134965
+    1SOL     H5    5  -0.225229   0.208509  -0.096958
+    1SOL     H6    6  -0.127091   0.095818  -0.072695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/143/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008081   0.091094   0.028264
+    0SOL     H3    3  -0.015727   0.002671  -0.094381
+    1SOL     O4    4   0.158590  -0.237786  -0.071107
+    1SOL     H5    5   0.224069  -0.304530  -0.050612
+    1SOL     H6    6   0.137842  -0.197790   0.013345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/144/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066035  -0.039002  -0.057276
+    0SOL     H3    3  -0.003718  -0.052356   0.080046
+    1SOL     O4    4  -0.031405   0.167810   0.290359
+    1SOL     H5    5  -0.035057   0.189651   0.383483
+    1SOL     H6    6  -0.015714   0.073404   0.288449
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/145/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072424  -0.014839   0.060802
+    0SOL     H3    3  -0.022094  -0.087190  -0.032743
+    1SOL     O4    4  -0.176875   0.198593  -0.104578
+    1SOL     H5    5  -0.109635   0.140857  -0.068417
+    1SOL     H6    6  -0.222055   0.144960  -0.169727
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/146/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021062  -0.009316   0.092908
+    0SOL     H3    3  -0.075570  -0.057217  -0.013331
+    1SOL     O4    4  -0.156879   0.286581   0.060848
+    1SOL     H5    5  -0.131110   0.238925   0.139761
+    1SOL     H6    6  -0.211170   0.224651   0.012068
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/147/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081823   0.048306   0.011567
+    0SOL     H3    3  -0.064918   0.050742   0.048715
+    1SOL     O4    4  -0.049187  -0.170421   0.193577
+    1SOL     H5    5  -0.031435  -0.102433   0.128579
+    1SOL     H6    6  -0.080367  -0.122609   0.270415
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/148/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037725  -0.055833   0.067984
+    0SOL     H3    3  -0.059449  -0.057580  -0.048090
+    1SOL     O4    4   0.214799   0.112623  -0.132212
+    1SOL     H5    5   0.126457   0.092785  -0.101155
+    1SOL     H6    6   0.202256   0.180578  -0.198448
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/149/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095713   0.000893   0.000788
+    0SOL     H3    3   0.024464   0.083961  -0.038914
+    1SOL     O4    4   0.025112   0.139656   0.228188
+    1SOL     H5    5   0.025378   0.092063   0.145139
+    1SOL     H6    6   0.020563   0.231885   0.202980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/150/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073976   0.058447   0.016546
+    0SOL     H3    3   0.039015  -0.076945  -0.041468
+    1SOL     O4    4   0.179474   0.190156   0.029746
+    1SOL     H5    5   0.157319   0.248474   0.102344
+    1SOL     H6    6   0.263352   0.151439   0.054802
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/151/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011985  -0.094962  -0.000971
+    0SOL     H3    3  -0.087468   0.012776   0.036721
+    1SOL     O4    4   0.175272   0.134924   0.189182
+    1SOL     H5    5   0.145326   0.059828   0.137935
+    1SOL     H6    6   0.268344   0.118243   0.204065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/152/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004467   0.058133   0.075914
+    0SOL     H3    3   0.062458   0.037088  -0.062336
+    1SOL     O4    4  -0.057955  -0.312229   0.145592
+    1SOL     H5    5  -0.071626  -0.406709   0.152588
+    1SOL     H6    6  -0.005435  -0.289826   0.222417
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/153/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092537   0.023587  -0.006551
+    0SOL     H3    3  -0.022628  -0.032789  -0.087035
+    1SOL     O4    4   0.074024  -0.054562  -0.278343
+    1SOL     H5    5   0.155405  -0.005184  -0.268282
+    1SOL     H6    6   0.012514   0.008067  -0.316505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/154/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037530  -0.034347  -0.081081
+    0SOL     H3    3  -0.090951   0.019924  -0.022208
+    1SOL     O4    4   0.188036  -0.199175  -0.134532
+    1SOL     H5    5   0.220142  -0.289140  -0.128385
+    1SOL     H6    6   0.243210  -0.149806  -0.073862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/155/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003959   0.007503   0.095343
+    0SOL     H3    3  -0.084896   0.037443  -0.023516
+    1SOL     O4    4  -0.164232   0.173650   0.193436
+    1SOL     H5    5  -0.238287   0.230006   0.215844
+    1SOL     H6    6  -0.190972   0.086338   0.222139
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/156/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087488  -0.001387   0.038811
+    0SOL     H3    3   0.047332   0.066581   0.049889
+    1SOL     O4    4   0.007371  -0.014463   0.331649
+    1SOL     H5    5  -0.039969   0.058307   0.291328
+    1SOL     H6    6   0.099633   0.009988   0.324428
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/157/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095533   0.002023  -0.005630
+    0SOL     H3    3   0.028888   0.071751  -0.056388
+    1SOL     O4    4   0.238134   0.104329  -0.156850
+    1SOL     H5    5   0.242523   0.199223  -0.168597
+    1SOL     H6    6   0.321318   0.081404  -0.115410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/158/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020333   0.093031  -0.009706
+    0SOL     H3    3   0.026103  -0.009430   0.091608
+    1SOL     O4    4  -0.326761  -0.094249   0.103953
+    1SOL     H5    5  -0.279372  -0.066854   0.025428
+    1SOL     H6    6  -0.309720  -0.024895   0.167686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/159/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023938  -0.006370  -0.092459
+    0SOL     H3    3   0.051690  -0.078773   0.016890
+    1SOL     O4    4  -0.031989  -0.065351  -0.279556
+    1SOL     H5    5  -0.104590  -0.005933  -0.298556
+    1SOL     H6    6   0.042131  -0.028918  -0.327942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/160/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047125   0.026693  -0.078924
+    0SOL     H3    3  -0.066573  -0.000235   0.068777
+    1SOL     O4    4  -0.105177  -0.064127   0.239169
+    1SOL     H5    5  -0.181595  -0.006521   0.241211
+    1SOL     H6    6  -0.139199  -0.150023   0.264205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/161/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069322  -0.047043   0.046300
+    0SOL     H3    3   0.038418   0.057422   0.066250
+    1SOL     O4    4   0.135677   0.164533   0.196651
+    1SOL     H5    5   0.073803   0.138482   0.264880
+    1SOL     H6    6   0.121268   0.258539   0.185809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/162/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051810  -0.043192   0.067915
+    0SOL     H3    3   0.046415  -0.019246  -0.081471
+    1SOL     O4    4  -0.291446  -0.038191   0.198560
+    1SOL     H5    5  -0.239121   0.000299   0.268866
+    1SOL     H6    6  -0.317263   0.036323   0.144306
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/163/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047762  -0.065528   0.050864
+    0SOL     H3    3   0.039649   0.083431   0.025090
+    1SOL     O4    4   0.156707   0.113137  -0.301183
+    1SOL     H5    5   0.199900   0.111428  -0.386586
+    1SOL     H6    6   0.063639   0.122421  -0.321541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/164/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051086  -0.080030  -0.012155
+    0SOL     H3    3  -0.091121  -0.028302  -0.007638
+    1SOL     O4    4   0.169631  -0.200822  -0.030220
+    1SOL     H5    5   0.141790  -0.289971  -0.009251
+    1SOL     H6    6   0.249854  -0.188190   0.020446
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/165/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089806   0.031291  -0.010867
+    0SOL     H3    3  -0.024904  -0.032044  -0.086691
+    1SOL     O4    4   0.067268  -0.247020   0.127056
+    1SOL     H5    5   0.020335  -0.314473   0.077966
+    1SOL     H6    6   0.030882  -0.164432   0.095157
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/166/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032867   0.043081  -0.078906
+    0SOL     H3    3  -0.090139   0.031059   0.008524
+    1SOL     O4    4  -0.237703   0.145748  -0.064092
+    1SOL     H5    5  -0.324136   0.107222  -0.049692
+    1SOL     H6    6  -0.215494   0.121905  -0.154096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/167/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075996  -0.039050   0.043151
+    0SOL     H3    3  -0.034212   0.078843  -0.042139
+    1SOL     O4    4  -0.257697  -0.063941   0.084565
+    1SOL     H5    5  -0.258614  -0.137195   0.146171
+    1SOL     H6    6  -0.307692  -0.095325   0.009214
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/168/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013993  -0.017890  -0.092986
+    0SOL     H3    3   0.070678  -0.059311   0.025479
+    1SOL     O4    4   0.001013  -0.077181  -0.279453
+    1SOL     H5    5  -0.019106  -0.162921  -0.316953
+    1SOL     H6    6  -0.028402  -0.014556  -0.345599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/169/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054069  -0.074537  -0.026138
+    0SOL     H3    3   0.053668   0.047501   0.063448
+    1SOL     O4    4   0.102487   0.105587   0.258528
+    1SOL     H5    5   0.192317   0.086057   0.285202
+    1SOL     H6    6   0.047966   0.060382   0.322921
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/170/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011783  -0.091368   0.025988
+    0SOL     H3    3   0.055531   0.037433   0.068391
+    1SOL     O4    4  -0.267346   0.055000  -0.009835
+    1SOL     H5    5  -0.301704  -0.000730   0.059994
+    1SOL     H6    6  -0.173060   0.038496  -0.009511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/171/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019315   0.077864   0.052215
+    0SOL     H3    3  -0.083352  -0.031980   0.034527
+    1SOL     O4    4   0.088858   0.243805   0.086336
+    1SOL     H5    5   0.151958   0.253114   0.014963
+    1SOL     H6    6   0.013680   0.296324   0.058907
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/172/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002946  -0.021756  -0.093168
+    0SOL     H3    3  -0.087570   0.036243   0.013424
+    1SOL     O4    4  -0.271120   0.085442   0.090029
+    1SOL     H5    5  -0.283762   0.152492   0.157162
+    1SOL     H6    6  -0.340849   0.101654   0.026489
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/173/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054367  -0.068668   0.038617
+    0SOL     H3    3  -0.085942  -0.011844   0.040448
+    1SOL     O4    4  -0.262783   0.012533  -0.251725
+    1SOL     H5    5  -0.325873   0.052045  -0.311899
+    1SOL     H6    6  -0.302940  -0.070438  -0.225928
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/174/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062368   0.016799  -0.070642
+    0SOL     H3    3   0.027039  -0.084325   0.036338
+    1SOL     O4    4   0.163385   0.094372  -0.212236
+    1SOL     H5    5   0.220502   0.020596  -0.190860
+    1SOL     H6    6   0.179200   0.157968  -0.142466
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/175/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024622  -0.075330   0.053680
+    0SOL     H3    3  -0.040452   0.061135   0.061551
+    1SOL     O4    4   0.200272   0.059065  -0.171703
+    1SOL     H5    5   0.134844   0.058256  -0.101841
+    1SOL     H6    6   0.149058   0.057871  -0.252561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/176/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090009   0.024427   0.021543
+    0SOL     H3    3  -0.000420  -0.095652   0.003578
+    1SOL     O4    4  -0.178028   0.178918   0.101509
+    1SOL     H5    5  -0.152685   0.244413   0.166551
+    1SOL     H6    6  -0.110149   0.111690   0.107439
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/177/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070081  -0.065090   0.003766
+    0SOL     H3    3   0.033199   0.073980   0.050863
+    1SOL     O4    4   0.123911   0.196269   0.115401
+    1SOL     H5    5   0.047739   0.253758   0.107968
+    1SOL     H6    6   0.191934   0.239796   0.064013
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071763  -0.045533   0.044036
+    0SOL     H3    3  -0.011188   0.091836   0.024561
+    1SOL     O4    4  -0.038587  -0.127844  -0.236916
+    1SOL     H5    5  -0.131372  -0.108438  -0.250209
+    1SOL     H6    6  -0.017428  -0.087416  -0.152772
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VB-Mc8/179/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062148  -0.035139   0.063759
+    0SOL     H3    3  -0.043922  -0.010157  -0.084439
+    1SOL     O4    4  -0.161539  -0.101025   0.187109
+    1SOL     H5    5  -0.118967  -0.180259   0.219850
+    1SOL     H6    6  -0.156148  -0.039070   0.259874
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023514  -0.071290   0.059390
+    0SOL     H3    3   0.057022   0.072454   0.025715
+    1SOL     O4    4  -0.210485   0.174796   0.017382
+    1SOL     H5    5  -0.134166   0.118974   0.002493
+    1SOL     H6    6  -0.261476   0.128504   0.083859
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/001/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026010   0.057568  -0.071915
+    0SOL     H3    3   0.084102  -0.036416  -0.027625
+    1SOL     O4    4  -0.091434   0.115040  -0.212246
+    1SOL     H5    5  -0.042195   0.160823  -0.280376
+    1SOL     H6    6  -0.144655   0.051283  -0.259836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/002/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074132  -0.058592   0.015289
+    0SOL     H3    3  -0.076980  -0.052430   0.022080
+    1SOL     O4    4   0.104241   0.128911   0.221470
+    1SOL     H5    5   0.054937   0.102074   0.143938
+    1SOL     H6    6   0.038295   0.165664   0.280314
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/003/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054160  -0.074166  -0.026989
+    0SOL     H3    3  -0.006232   0.054873  -0.078182
+    1SOL     O4    4  -0.105144   0.114911  -0.220347
+    1SOL     H5    5  -0.045180   0.161437  -0.278674
+    1SOL     H6    6  -0.169022   0.074362  -0.278979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/004/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065805   0.064906   0.024885
+    0SOL     H3    3   0.045310  -0.020783   0.081715
+    1SOL     O4    4  -0.218714   0.175680   0.021505
+    1SOL     H5    5  -0.280029   0.107145  -0.005062
+    1SOL     H6    6  -0.245675   0.252708  -0.028514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/005/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086831   0.039115  -0.009625
+    0SOL     H3    3  -0.059973   0.065715  -0.035314
+    1SOL     O4    4   0.222069   0.154969   0.004671
+    1SOL     H5    5   0.300895   0.131209  -0.044157
+    1SOL     H6    6   0.254756   0.199798   0.082673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/006/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009831   0.063478   0.070967
+    0SOL     H3    3  -0.083119  -0.047449  -0.001443
+    1SOL     O4    4  -0.111551   0.265458  -0.145325
+    1SOL     H5    5  -0.118705   0.183229  -0.193797
+    1SOL     H6    6  -0.023766   0.297746  -0.165664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/007/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014932   0.030821   0.089384
+    0SOL     H3    3  -0.076120  -0.057625   0.006886
+    1SOL     O4    4  -0.190291  -0.092616   0.284157
+    1SOL     H5    5  -0.192128   0.000028   0.260155
+    1SOL     H6    6  -0.275037  -0.126551   0.255370
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/008/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072387  -0.002203  -0.062591
+    0SOL     H3    3  -0.061025   0.064284  -0.036137
+    1SOL     O4    4  -0.203376  -0.156302   0.045099
+    1SOL     H5    5  -0.116783  -0.116815   0.034860
+    1SOL     H6    6  -0.197174  -0.240009  -0.000911
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/009/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074147  -0.060035   0.007766
+    0SOL     H3    3  -0.077178  -0.056375   0.005263
+    1SOL     O4    4   0.099408   0.243213   0.136012
+    1SOL     H5    5   0.016833   0.290101   0.148067
+    1SOL     H6    6   0.076423   0.167642   0.081947
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/010/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068268  -0.067082  -0.001322
+    0SOL     H3    3  -0.019876   0.015835  -0.092285
+    1SOL     O4    4  -0.070314  -0.338868   0.044140
+    1SOL     H5    5   0.003553  -0.399411   0.050497
+    1SOL     H6    6  -0.070557  -0.292433   0.127842
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/011/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062530  -0.065154  -0.031737
+    0SOL     H3    3  -0.023037   0.050981  -0.077669
+    1SOL     O4    4  -0.127580   0.155979  -0.186132
+    1SOL     H5    5  -0.203208   0.180240  -0.132709
+    1SOL     H6    6  -0.164802   0.132351  -0.271094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/012/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064754  -0.017066   0.068396
+    0SOL     H3    3  -0.050110   0.040084  -0.071025
+    1SOL     O4    4   0.153019   0.132946   0.183194
+    1SOL     H5    5   0.196850   0.215629   0.163080
+    1SOL     H6    6   0.124063   0.099833   0.098180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/013/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075799   0.042451   0.040183
+    0SOL     H3    3   0.063849   0.070439  -0.011140
+    1SOL     O4    4  -0.121327  -0.103349  -0.237155
+    1SOL     H5    5  -0.197265  -0.157610  -0.258403
+    1SOL     H6    6  -0.115985  -0.105900  -0.141618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/014/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072303  -0.062683   0.002356
+    0SOL     H3    3   0.078102  -0.053910  -0.012492
+    1SOL     O4    4  -0.084303   0.123109  -0.219667
+    1SOL     H5    5  -0.052151   0.082822  -0.139010
+    1SOL     H6    6  -0.132032   0.200728  -0.190351
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/015/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057727  -0.021866   0.073156
+    0SOL     H3    3   0.056972   0.068919   0.034156
+    1SOL     O4    4  -0.097133   0.098935  -0.234875
+    1SOL     H5    5  -0.056895   0.057316  -0.158645
+    1SOL     H6    6  -0.177887   0.137750  -0.201193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/016/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082326  -0.041795  -0.025257
+    0SOL     H3    3  -0.007554   0.075413  -0.058464
+    1SOL     O4    4   0.273479   0.171544  -0.081900
+    1SOL     H5    5   0.304719   0.089862  -0.042986
+    1SOL     H6    6   0.244257   0.146709  -0.169602
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/017/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072903   0.061951   0.003101
+    0SOL     H3    3   0.014494  -0.057883   0.074845
+    1SOL     O4    4   0.083847  -0.121004   0.226328
+    1SOL     H5    5   0.021271  -0.161992   0.286048
+    1SOL     H6    6   0.124416  -0.051462   0.278101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/018/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085561   0.007219  -0.042303
+    0SOL     H3    3  -0.053419   0.067249  -0.042265
+    1SOL     O4    4  -0.286373   0.156803   0.188328
+    1SOL     H5    5  -0.272674   0.090297   0.120862
+    1SOL     H6    6  -0.357443   0.211178   0.154345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/019/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067312  -0.038191   0.056329
+    0SOL     H3    3   0.065989  -0.068805  -0.008575
+    1SOL     O4    4   0.148614   0.134903   0.175111
+    1SOL     H5    5   0.101197   0.090131   0.105044
+    1SOL     H6    6   0.191402   0.064540   0.223901
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/020/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085885   0.039685   0.014531
+    0SOL     H3    3   0.046316   0.062693  -0.055559
+    1SOL     O4    4   0.104993  -0.134319   0.225668
+    1SOL     H5    5   0.016978  -0.171923   0.224413
+    1SOL     H6    6   0.109742  -0.081681   0.145862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/021/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068308  -0.024476  -0.062428
+    0SOL     H3    3  -0.060780   0.053753  -0.050782
+    1SOL     O4    4   0.063108   0.140773   0.221179
+    1SOL     H5    5   0.052244   0.087481   0.142412
+    1SOL     H6    6   0.147239   0.184766   0.208974
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/022/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049429   0.051448  -0.063814
+    0SOL     H3    3  -0.061745  -0.066677   0.030068
+    1SOL     O4    4  -0.157289   0.130025  -0.178559
+    1SOL     H5    5  -0.081699   0.155076  -0.231671
+    1SOL     H6    6  -0.189932   0.049921  -0.219547
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/023/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070875  -0.016477   0.062190
+    0SOL     H3    3   0.052530  -0.079999   0.001732
+    1SOL     O4    4  -0.109410   0.092573  -0.237662
+    1SOL     H5    5  -0.062110   0.174230  -0.253699
+    1SOL     H6    6  -0.086086   0.068541  -0.147992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/024/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024921  -0.065011   0.065688
+    0SOL     H3    3   0.044381   0.080204   0.027569
+    1SOL     O4    4   0.150981  -0.070542  -0.207494
+    1SOL     H5    5   0.075075  -0.038427  -0.158819
+    1SOL     H6    6   0.113900  -0.110313  -0.286270
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/025/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065713   0.021488  -0.066200
+    0SOL     H3    3  -0.037155  -0.083241  -0.029201
+    1SOL     O4    4  -0.248002  -0.149218   0.122897
+    1SOL     H5    5  -0.249063  -0.113165   0.211561
+    1SOL     H6    6  -0.183673  -0.220006   0.126542
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/026/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069787   0.064816  -0.009537
+    0SOL     H3    3   0.030577  -0.058116   0.069642
+    1SOL     O4    4  -0.226335   0.194448  -0.052848
+    1SOL     H5    5  -0.217194   0.282222  -0.015773
+    1SOL     H6    6  -0.164509   0.140855  -0.003173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/027/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008715  -0.058282  -0.075429
+    0SOL     H3    3  -0.077993   0.055392  -0.003334
+    1SOL     O4    4  -0.275362  -0.174738   0.117994
+    1SOL     H5    5  -0.255744  -0.094742   0.166760
+    1SOL     H6    6  -0.349465  -0.213612   0.164468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/028/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018781  -0.048220  -0.080526
+    0SOL     H3    3   0.075498   0.054652  -0.021808
+    1SOL     O4    4   0.122818  -0.154251   0.186541
+    1SOL     H5    5   0.079046  -0.099190   0.121621
+    1SOL     H6    6   0.054826  -0.174113   0.250922
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/029/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032238   0.052407  -0.073325
+    0SOL     H3    3  -0.078473  -0.040628   0.036792
+    1SOL     O4    4   0.008216  -0.250835   0.255581
+    1SOL     H5    5   0.080092  -0.187872   0.249939
+    1SOL     H6    6   0.006680  -0.293254   0.169787
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/030/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073178  -0.037775  -0.048789
+    0SOL     H3    3   0.041364   0.054796   0.066699
+    1SOL     O4    4   0.108459   0.144347   0.216022
+    1SOL     H5    5   0.018215   0.175850   0.210930
+    1SOL     H6    6   0.118688   0.115384   0.306680
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/031/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048365  -0.006951   0.082309
+    0SOL     H3    3  -0.058096   0.049369  -0.057878
+    1SOL     O4    4   0.161783   0.161981   0.179154
+    1SOL     H5    5   0.210972   0.233385   0.138605
+    1SOL     H6    6   0.116814   0.119355   0.106194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/032/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068943  -0.037935  -0.054498
+    0SOL     H3    3   0.044948   0.027388   0.079949
+    1SOL     O4    4  -0.160845   0.136774  -0.177526
+    1SOL     H5    5  -0.211395   0.201034  -0.127751
+    1SOL     H6    6  -0.123700   0.078764  -0.111062
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/033/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044854   0.067994   0.050272
+    0SOL     H3    3  -0.044293   0.047448  -0.070350
+    1SOL     O4    4  -0.116044   0.128453  -0.217789
+    1SOL     H5    5  -0.111682   0.087571  -0.304230
+    1SOL     H6    6  -0.204975   0.163421  -0.212240
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/034/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045902   0.081937  -0.018486
+    0SOL     H3    3  -0.035447  -0.027271  -0.084629
+    1SOL     O4    4  -0.131417  -0.157975  -0.185169
+    1SOL     H5    5  -0.179599  -0.121639  -0.259469
+    1SOL     H6    6  -0.063555  -0.212525  -0.224935
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075052  -0.032663   0.049625
+    0SOL     H3    3  -0.036628   0.026129  -0.084487
+    1SOL     O4    4  -0.096522   0.102319  -0.248023
+    1SOL     H5    5  -0.121279   0.027430  -0.302254
+    1SOL     H6    6  -0.172079   0.160941  -0.252125
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/036/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068613  -0.063145  -0.021618
+    0SOL     H3    3  -0.022029   0.041067  -0.083610
+    1SOL     O4    4  -0.370411  -0.023747  -0.061140
+    1SOL     H5    5  -0.416718   0.008144  -0.138605
+    1SOL     H6    6  -0.325378   0.053361  -0.026662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/037/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068336  -0.042209  -0.052066
+    0SOL     H3    3   0.062389   0.033109  -0.064605
+    1SOL     O4    4   0.248101   0.229016   0.121848
+    1SOL     H5    5   0.296723   0.173117   0.061238
+    1SOL     H6    6   0.207038   0.167984   0.183095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/038/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052248  -0.069654  -0.039760
+    0SOL     H3    3   0.044097  -0.042191   0.073741
+    1SOL     O4    4   0.148867   0.072085  -0.215891
+    1SOL     H5    5   0.239571   0.097396  -0.198729
+    1SOL     H6    6   0.115702   0.042657  -0.131059
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/039/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046244   0.075928   0.035480
+    0SOL     H3    3  -0.034876   0.030181  -0.083875
+    1SOL     O4    4   0.231105  -0.157229  -0.035556
+    1SOL     H5    5   0.141815  -0.122827  -0.033095
+    1SOL     H6    6   0.251091  -0.165459  -0.128804
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/040/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035445   0.022200  -0.086099
+    0SOL     H3    3   0.063999  -0.069004  -0.017459
+    1SOL     O4    4  -0.254522  -0.236576  -0.137025
+    1SOL     H5    5  -0.193550  -0.213678  -0.207171
+    1SOL     H6    6  -0.198969  -0.271793  -0.067485
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/041/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038836   0.044830  -0.075129
+    0SOL     H3    3  -0.074914  -0.027982   0.052604
+    1SOL     O4    4  -0.223689  -0.196459  -0.135015
+    1SOL     H5    5  -0.202167  -0.247300  -0.056821
+    1SOL     H6    6  -0.302311  -0.147473  -0.110902
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/042/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049386  -0.077971  -0.025373
+    0SOL     H3    3   0.066838   0.066723   0.015592
+    1SOL     O4    4   0.160819  -0.217040  -0.081264
+    1SOL     H5    5   0.211543  -0.259248  -0.011926
+    1SOL     H6    6   0.113785  -0.288813  -0.123676
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/043/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003909  -0.061780   0.073009
+    0SOL     H3    3   0.070828   0.062036   0.017239
+    1SOL     O4    4   0.204093   0.174638   0.057465
+    1SOL     H5    5   0.167953   0.203211   0.141368
+    1SOL     H6    6   0.169773   0.237452  -0.006088
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/044/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070193  -0.037110  -0.053462
+    0SOL     H3    3  -0.053975  -0.075219   0.024314
+    1SOL     O4    4   0.036804  -0.349474  -0.050011
+    1SOL     H5    5  -0.038452  -0.377606   0.002021
+    1SOL     H6    6  -0.001402  -0.314456  -0.130486
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/045/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071426  -0.051410   0.037651
+    0SOL     H3    3   0.042904   0.077075  -0.037163
+    1SOL     O4    4   0.031806   0.245463   0.224318
+    1SOL     H5    5   0.116407   0.202990   0.238499
+    1SOL     H6    6  -0.032686   0.180163   0.251502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/046/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060729   0.036407   0.064412
+    0SOL     H3    3   0.038573  -0.075961   0.043639
+    1SOL     O4    4  -0.087316  -0.119797  -0.239680
+    1SOL     H5    5  -0.068911  -0.062853  -0.164974
+    1SOL     H6    6  -0.082629  -0.061870  -0.315738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/047/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070150   0.064898   0.005443
+    0SOL     H3    3  -0.027205  -0.058900  -0.070378
+    1SOL     O4    4  -0.165540  -0.162205  -0.185536
+    1SOL     H5    5  -0.204272  -0.084797  -0.226404
+    1SOL     H6    6  -0.086179  -0.178999  -0.236352
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/048/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065203   0.069854   0.005586
+    0SOL     H3    3  -0.054381   0.011645   0.077906
+    1SOL     O4    4  -0.128538  -0.176472  -0.166778
+    1SOL     H5    5  -0.096329  -0.096013  -0.126142
+    1SOL     H6    6  -0.167111  -0.147778  -0.249549
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/049/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063653  -0.063188  -0.033436
+    0SOL     H3    3   0.052513   0.063436   0.048792
+    1SOL     O4    4  -0.171243  -0.088425   0.230861
+    1SOL     H5    5  -0.109953  -0.140565   0.282701
+    1SOL     H6    6  -0.124645  -0.070869   0.149113
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/050/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066660   0.022045  -0.065060
+    0SOL     H3    3   0.046339  -0.053051   0.064812
+    1SOL     O4    4  -0.190812   0.197987   0.081417
+    1SOL     H5    5  -0.135792   0.123334   0.057710
+    1SOL     H6    6  -0.130397   0.260631   0.121267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/051/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038241   0.026155   0.083761
+    0SOL     H3    3  -0.059619  -0.071541   0.022133
+    1SOL     O4    4   0.143916   0.146734   0.191719
+    1SOL     H5    5   0.088599   0.217741   0.224282
+    1SOL     H6    6   0.182325   0.108191   0.270469
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/052/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090977   0.019284  -0.022664
+    0SOL     H3    3  -0.022968  -0.075094  -0.054733
+    1SOL     O4    4  -0.087681  -0.237481  -0.108459
+    1SOL     H5    5  -0.137354  -0.247245  -0.027221
+    1SOL     H6    6  -0.147994  -0.193415  -0.168317
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/053/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059770   0.061241  -0.042888
+    0SOL     H3    3   0.056509  -0.070448   0.031720
+    1SOL     O4    4   0.152162   0.205430  -0.102844
+    1SOL     H5    5   0.208252   0.249750  -0.039189
+    1SOL     H6    6   0.102547   0.275990  -0.144341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/054/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040229   0.035349   0.079337
+    0SOL     H3    3   0.066305   0.064674  -0.024150
+    1SOL     O4    4  -0.043788   0.360509   0.052068
+    1SOL     H5    5   0.003448   0.391585  -0.025168
+    1SOL     H6    6  -0.101007   0.433373   0.076133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/055/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053698   0.065107  -0.045166
+    0SOL     H3    3  -0.043826  -0.047921  -0.070322
+    1SOL     O4    4  -0.098471   0.314514   0.127225
+    1SOL     H5    5  -0.137731   0.273492   0.050166
+    1SOL     H6    6  -0.165929   0.374192   0.159634
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/056/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078875  -0.009485   0.053395
+    0SOL     H3    3  -0.031879   0.031813  -0.084463
+    1SOL     O4    4  -0.153515   0.148372  -0.214717
+    1SOL     H5    5  -0.089789   0.213804  -0.243353
+    1SOL     H6    6  -0.195170   0.187450  -0.137905
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/057/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050116  -0.062468   0.052426
+    0SOL     H3    3   0.056827   0.076733  -0.006709
+    1SOL     O4    4   0.024540   0.249923  -0.314605
+    1SOL     H5    5   0.060054   0.319697  -0.259536
+    1SOL     H6    6  -0.024681   0.295790  -0.382692
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/058/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060176  -0.039538   0.063070
+    0SOL     H3    3   0.061144  -0.070245  -0.022120
+    1SOL     O4    4   0.098231   0.219148   0.159091
+    1SOL     H5    5   0.180552   0.252097   0.123037
+    1SOL     H6    6   0.076185   0.144114   0.103898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/059/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084250   0.013259  -0.043457
+    0SOL     H3    3  -0.052923  -0.047346  -0.064186
+    1SOL     O4    4  -0.188511  -0.144204  -0.164736
+    1SOL     H5    5  -0.237718  -0.226149  -0.169842
+    1SOL     H6    6  -0.118617  -0.154114  -0.229380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/060/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070852   0.026753  -0.058538
+    0SOL     H3    3   0.044363  -0.041513   0.073965
+    1SOL     O4    4   0.045487  -0.373474   0.015113
+    1SOL     H5    5  -0.017520  -0.362713   0.086364
+    1SOL     H6    6   0.114206  -0.428951   0.052020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/061/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080406   0.046374   0.023381
+    0SOL     H3    3   0.016323  -0.058526   0.073963
+    1SOL     O4    4  -0.100344  -0.140030  -0.197255
+    1SOL     H5    5  -0.021152  -0.161503  -0.246550
+    1SOL     H6    6  -0.069263  -0.087191  -0.123741
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/062/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056475   0.074174  -0.021704
+    0SOL     H3    3   0.058173  -0.062678   0.043008
+    1SOL     O4    4  -0.216231   0.034584   0.155842
+    1SOL     H5    5  -0.192819  -0.011249   0.236548
+    1SOL     H6    6  -0.136084   0.033512   0.103520
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/063/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052118   0.058246   0.055258
+    0SOL     H3    3   0.062094  -0.066238  -0.030317
+    1SOL     O4    4   0.086863   0.234266   0.113593
+    1SOL     H5    5   0.168322   0.279121   0.090904
+    1SOL     H6    6   0.017781   0.293806   0.084524
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/064/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084616  -0.044656  -0.002882
+    0SOL     H3    3   0.011061   0.076080  -0.057024
+    1SOL     O4    4  -0.036925   0.241133  -0.143784
+    1SOL     H5    5  -0.114217   0.293777  -0.123369
+    1SOL     H6    6   0.024619   0.303068  -0.183010
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/065/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073728  -0.017586  -0.058457
+    0SOL     H3    3   0.038880   0.045684   0.074590
+    1SOL     O4    4  -0.247243   0.159872   0.162317
+    1SOL     H5    5  -0.262932   0.132623   0.071909
+    1SOL     H6    6  -0.174696   0.222034   0.156401
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/066/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095552  -0.004190   0.003824
+    0SOL     H3    3   0.023722   0.066374   0.064761
+    1SOL     O4    4  -0.253171  -0.169846   0.022948
+    1SOL     H5    5  -0.187346  -0.220018   0.071032
+    1SOL     H6    6  -0.270071  -0.221652  -0.055747
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/067/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021644  -0.047536   0.080213
+    0SOL     H3    3  -0.037084  -0.066480  -0.058030
+    1SOL     O4    4  -0.135011  -0.188872  -0.186799
+    1SOL     H5    5  -0.183569  -0.254947  -0.137418
+    1SOL     H6    6  -0.201641  -0.144113  -0.238948
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/068/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028858   0.063716   0.065343
+    0SOL     H3    3   0.075617  -0.057305  -0.012672
+    1SOL     O4    4   0.101809  -0.358263  -0.120494
+    1SOL     H5    5   0.044672  -0.370605  -0.044696
+    1SOL     H6    6   0.155062  -0.437742  -0.123600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/069/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043463   0.015807  -0.083806
+    0SOL     H3    3  -0.069570  -0.031938   0.057466
+    1SOL     O4    4   0.153287   0.165491   0.176332
+    1SOL     H5    5   0.074070   0.181550   0.227605
+    1SOL     H6    6   0.121581   0.127185   0.094541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/070/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060823   0.017521   0.071805
+    0SOL     H3    3  -0.052767  -0.045604  -0.065561
+    1SOL     O4    4  -0.101791   0.307173   0.024075
+    1SOL     H5    5  -0.026896   0.341324  -0.024780
+    1SOL     H6    6  -0.062892   0.254800   0.094119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/071/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068934  -0.034732   0.056605
+    0SOL     H3    3  -0.046136   0.030180  -0.078249
+    1SOL     O4    4  -0.153808  -0.228150  -0.129908
+    1SOL     H5    5  -0.098640  -0.168151  -0.180096
+    1SOL     H6    6  -0.171598  -0.300424  -0.190094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/072/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059657  -0.065729  -0.035819
+    0SOL     H3    3   0.057491   0.068126   0.034870
+    1SOL     O4    4   0.149667  -0.214157  -0.068180
+    1SOL     H5    5   0.206068  -0.258604  -0.004889
+    1SOL     H6    6   0.105500  -0.285064  -0.114912
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/073/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035755  -0.033446  -0.082251
+    0SOL     H3    3   0.051144   0.076779  -0.025525
+    1SOL     O4    4   0.185667   0.176377  -0.012423
+    1SOL     H5    5   0.200744   0.267012   0.014416
+    1SOL     H6    6   0.258345   0.127505   0.026199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/074/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072751   0.059209  -0.019076
+    0SOL     H3    3  -0.000002  -0.062228  -0.072732
+    1SOL     O4    4   0.103294  -0.303004   0.140613
+    1SOL     H5    5   0.025640  -0.358951   0.142022
+    1SOL     H6    6   0.075994  -0.222923   0.185380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/075/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085660   0.028591   0.031738
+    0SOL     H3    3   0.035315  -0.053471   0.071106
+    1SOL     O4    4  -0.067342  -0.133297  -0.220534
+    1SOL     H5    5  -0.063520  -0.074154  -0.145369
+    1SOL     H6    6  -0.129795  -0.201046  -0.194612
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/076/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055992   0.027486   0.072607
+    0SOL     H3    3   0.057190   0.075080  -0.015957
+    1SOL     O4    4  -0.078257  -0.138436  -0.207958
+    1SOL     H5    5  -0.074143  -0.088352  -0.126490
+    1SOL     H6    6  -0.152521  -0.197635  -0.196011
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/077/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073037   0.059863   0.015632
+    0SOL     H3    3   0.014216  -0.071820   0.061661
+    1SOL     O4    4   0.105677  -0.216230   0.125216
+    1SOL     H5    5   0.139990  -0.193351   0.211595
+    1SOL     H6    6   0.181811  -0.248313   0.076877
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/078/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070323   0.063025  -0.015647
+    0SOL     H3    3   0.062398   0.015574  -0.070896
+    1SOL     O4    4   0.159317   0.081009  -0.202159
+    1SOL     H5    5   0.133598   0.011116  -0.262290
+    1SOL     H6    6   0.248697   0.103339  -0.228139
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/079/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050998  -0.038820   0.071096
+    0SOL     H3    3   0.075474   0.039678   0.043493
+    1SOL     O4    4   0.216738  -0.176175  -0.043538
+    1SOL     H5    5   0.124829  -0.151065  -0.034350
+    1SOL     H6    6   0.221201  -0.264618  -0.007204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/080/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071811   0.024538   0.058338
+    0SOL     H3    3  -0.043150  -0.038246  -0.076405
+    1SOL     O4    4  -0.175657   0.089284   0.182549
+    1SOL     H5    5  -0.249745   0.143955   0.156390
+    1SOL     H6    6  -0.106269   0.151604   0.204088
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/081/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071943   0.018498   0.060369
+    0SOL     H3    3  -0.043009  -0.020608  -0.082993
+    1SOL     O4    4  -0.086648  -0.097117  -0.252747
+    1SOL     H5    5  -0.093551  -0.055702  -0.338767
+    1SOL     H6    6  -0.025115  -0.169281  -0.265724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/082/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026420   0.046259  -0.079526
+    0SOL     H3    3   0.014918   0.063011   0.070494
+    1SOL     O4    4  -0.223890  -0.172179   0.031420
+    1SOL     H5    5  -0.157061  -0.103652   0.030816
+    1SOL     H6    6  -0.282441  -0.147968   0.103168
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/083/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081766   0.049251  -0.007139
+    0SOL     H3    3   0.012219  -0.075307  -0.057809
+    1SOL     O4    4   0.172148  -0.061568   0.261691
+    1SOL     H5    5   0.217512  -0.111889   0.329309
+    1SOL     H6    6   0.238622  -0.046211   0.194552
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/084/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057588   0.004958  -0.076298
+    0SOL     H3    3   0.048643  -0.052697   0.063398
+    1SOL     O4    4  -0.096159  -0.219263  -0.140694
+    1SOL     H5    5  -0.183027  -0.254001  -0.120457
+    1SOL     H6    6  -0.089156  -0.139813  -0.087770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/085/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039291   0.076304  -0.042383
+    0SOL     H3    3  -0.051418   0.036400   0.072067
+    1SOL     O4    4  -0.223004   0.025454   0.179148
+    1SOL     H5    5  -0.288791   0.092814   0.196383
+    1SOL     H6    6  -0.264463  -0.032874   0.115576
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/086/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005849   0.025392  -0.092105
+    0SOL     H3    3  -0.083044  -0.047133   0.006673
+    1SOL     O4    4  -0.257404   0.061320  -0.292966
+    1SOL     H5    5  -0.216919  -0.024440  -0.305944
+    1SOL     H6    6  -0.328676   0.045108  -0.231162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/087/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015472  -0.087966   0.034422
+    0SOL     H3    3   0.065858   0.054534   0.043025
+    1SOL     O4    4   0.161398  -0.098675  -0.206467
+    1SOL     H5    5   0.102002  -0.064897  -0.139433
+    1SOL     H6    6   0.104732  -0.147014  -0.266588
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/088/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008991   0.065682  -0.069046
+    0SOL     H3    3   0.079512  -0.048135  -0.022873
+    1SOL     O4    4  -0.101532   0.214327  -0.129655
+    1SOL     H5    5  -0.049074   0.293859  -0.138888
+    1SOL     H6    6  -0.166386   0.235997  -0.062673
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/089/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071627   0.026680   0.057620
+    0SOL     H3    3   0.055821   0.077497  -0.006359
+    1SOL     O4    4   0.095231  -0.195254   0.149492
+    1SOL     H5    5   0.176828  -0.238503   0.124316
+    1SOL     H6    6   0.085525  -0.123805   0.086539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/090/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030845   0.055847   0.071359
+    0SOL     H3    3  -0.070952   0.049849  -0.040536
+    1SOL     O4    4  -0.211961  -0.150780   0.040292
+    1SOL     H5    5  -0.240045  -0.144609   0.131591
+    1SOL     H6    6  -0.127737  -0.105355   0.037969
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/091/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078561   0.053734  -0.010153
+    0SOL     H3    3   0.072591   0.060494  -0.015276
+    1SOL     O4    4   0.189516   0.174506   0.006746
+    1SOL     H5    5   0.164049   0.256187  -0.036173
+    1SOL     H6    6   0.161486   0.185393   0.097620
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/092/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017184  -0.042514   0.084021
+    0SOL     H3    3   0.083892   0.038815  -0.024858
+    1SOL     O4    4   0.081327  -0.106282   0.223849
+    1SOL     H5    5   0.136268  -0.052328   0.280705
+    1SOL     H6    6   0.132805  -0.185598   0.208970
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/093/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078453  -0.017811   0.051868
+    0SOL     H3    3  -0.028135   0.064795  -0.064594
+    1SOL     O4    4   0.158016   0.176535   0.138036
+    1SOL     H5    5   0.098550   0.152727   0.066907
+    1SOL     H6    6   0.172644   0.094704   0.185492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/094/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084882  -0.044151  -0.002823
+    0SOL     H3    3   0.028507   0.003062  -0.091325
+    1SOL     O4    4  -0.205369  -0.164530   0.029428
+    1SOL     H5    5  -0.277515  -0.143254   0.088627
+    1SOL     H6    6  -0.248126  -0.197080  -0.049785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/095/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056894   0.070920  -0.029928
+    0SOL     H3    3  -0.051793  -0.023350  -0.077036
+    1SOL     O4    4  -0.157225  -0.152383  -0.159929
+    1SOL     H5    5  -0.232937  -0.187496  -0.113055
+    1SOL     H6    6  -0.190953  -0.130047  -0.246681
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/096/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047549  -0.045353   0.069602
+    0SOL     H3    3   0.056084   0.062454   0.046005
+    1SOL     O4    4  -0.129690  -0.087282   0.218820
+    1SOL     H5    5  -0.148011  -0.009095   0.270911
+    1SOL     H6    6  -0.210153  -0.138881   0.223869
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/097/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056430   0.077317   0.000266
+    0SOL     H3    3   0.041536   0.000307   0.086238
+    1SOL     O4    4  -0.263553  -0.129199   0.149000
+    1SOL     H5    5  -0.184344  -0.182079   0.158589
+    1SOL     H6    6  -0.334430  -0.193167   0.142154
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/098/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024276   0.076536  -0.052109
+    0SOL     H3    3  -0.043673   0.013402   0.084115
+    1SOL     O4    4   0.182990  -0.192899  -0.032240
+    1SOL     H5    5   0.234259  -0.166525  -0.108648
+    1SOL     H6    6   0.129543  -0.116227  -0.011573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/099/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051322  -0.033280  -0.073626
+    0SOL     H3    3   0.039113  -0.078065   0.039223
+    1SOL     O4    4   0.198890   0.222001  -0.076144
+    1SOL     H5    5   0.128665   0.171973  -0.034574
+    1SOL     H6    6   0.237649   0.272758  -0.004844
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/100/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068071  -0.057885  -0.034321
+    0SOL     H3    3  -0.036006   0.043252  -0.077428
+    1SOL     O4    4   0.138874   0.172039   0.208453
+    1SOL     H5    5   0.113883   0.104304   0.145607
+    1SOL     H6    6   0.206540   0.131015   0.262312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/101/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061907   0.024730  -0.068689
+    0SOL     H3    3  -0.055986  -0.066057  -0.040798
+    1SOL     O4    4   0.148971   0.049458  -0.230315
+    1SOL     H5    5   0.091609   0.125919  -0.235392
+    1SOL     H6    6   0.235580   0.082837  -0.253702
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/102/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038661   0.071533  -0.050504
+    0SOL     H3    3  -0.068990  -0.066197   0.004536
+    1SOL     O4    4   0.251561   0.180050  -0.022395
+    1SOL     H5    5   0.166657   0.223893  -0.016788
+    1SOL     H6    6   0.315609   0.250118  -0.010120
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/103/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058123   0.059759  -0.047041
+    0SOL     H3    3   0.040525   0.054238   0.067663
+    1SOL     O4    4  -0.144116  -0.216086   0.074311
+    1SOL     H5    5  -0.099474  -0.140550   0.036052
+    1SOL     H6    6  -0.225678  -0.180456   0.109529
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/104/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092290  -0.021887   0.012874
+    0SOL     H3    3  -0.043479  -0.084614  -0.010597
+    1SOL     O4    4   0.253082   0.210205  -0.056598
+    1SOL     H5    5   0.312556   0.283815  -0.070975
+    1SOL     H6    6   0.223485   0.185784  -0.144291
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/105/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072653   0.061687   0.008864
+    0SOL     H3    3  -0.078297   0.052670   0.016055
+    1SOL     O4    4   0.223933   0.158544   0.027076
+    1SOL     H5    5   0.223282   0.220577   0.099972
+    1SOL     H6    6   0.301324   0.104336   0.042385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/106/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042421  -0.081249   0.027593
+    0SOL     H3    3   0.057395  -0.026146  -0.072003
+    1SOL     O4    4  -0.065338   0.231099  -0.121013
+    1SOL     H5    5  -0.152859   0.254453  -0.090076
+    1SOL     H6    6  -0.044302   0.150076  -0.074590
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/107/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048163  -0.076046   0.032551
+    0SOL     H3    3   0.039538   0.038618   0.078152
+    1SOL     O4    4   0.194294  -0.222608   0.156143
+    1SOL     H5    5   0.242740  -0.289358   0.204720
+    1SOL     H6    6   0.154445  -0.270161   0.083252
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/108/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085764  -0.040579   0.012655
+    0SOL     H3    3  -0.053217  -0.068492  -0.040485
+    1SOL     O4    4  -0.170051   0.030156   0.194586
+    1SOL     H5    5  -0.134934   0.063954   0.276968
+    1SOL     H6    6  -0.092886   0.015099   0.139986
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/109/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022705   0.046871  -0.080311
+    0SOL     H3    3   0.062829  -0.066562  -0.028006
+    1SOL     O4    4  -0.210373  -0.193058  -0.082717
+    1SOL     H5    5  -0.290028  -0.140945  -0.092792
+    1SOL     H6    6  -0.150277  -0.136016  -0.034790
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/110/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047080   0.005200  -0.083179
+    0SOL     H3    3  -0.081247  -0.045936  -0.021241
+    1SOL     O4    4   0.189240  -0.189400   0.022536
+    1SOL     H5    5   0.118655  -0.128683   0.044748
+    1SOL     H6    6   0.174789  -0.210271  -0.069756
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067059  -0.058095   0.035922
+    0SOL     H3    3   0.034962   0.027489  -0.084760
+    1SOL     O4    4   0.196655  -0.187675   0.033988
+    1SOL     H5    5   0.225606  -0.241250   0.107838
+    1SOL     H6    6   0.192320  -0.248662  -0.039661
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/112/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060248   0.039256  -0.063178
+    0SOL     H3    3  -0.067857   0.066280   0.012834
+    1SOL     O4    4   0.172492   0.074747  -0.204569
+    1SOL     H5    5   0.113450   0.136538  -0.247676
+    1SOL     H6    6   0.255175   0.122277  -0.196396
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/113/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005887   0.067831  -0.067281
+    0SOL     H3    3   0.084680  -0.041861  -0.015469
+    1SOL     O4    4   0.244552   0.200854  -0.033592
+    1SOL     H5    5   0.197139   0.185000  -0.115219
+    1SOL     H6    6   0.176013   0.209784   0.032627
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032075   0.085468   0.028789
+    0SOL     H3    3   0.069591   0.020295  -0.062510
+    1SOL     O4    4  -0.122325   0.210183   0.078402
+    1SOL     H5    5  -0.180519   0.147443   0.121290
+    1SOL     H6    6  -0.176444   0.250655   0.010611
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085637   0.027956   0.032359
+    0SOL     H3    3  -0.019496  -0.050557  -0.078906
+    1SOL     O4    4   0.244160   0.145521  -0.005471
+    1SOL     H5    5   0.159543   0.101071  -0.010616
+    1SOL     H6    6   0.305361   0.077455   0.022527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/116/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028855  -0.044938   0.079437
+    0SOL     H3    3  -0.082966   0.041018   0.024423
+    1SOL     O4    4   0.194260   0.192535   0.084904
+    1SOL     H5    5   0.136574   0.122113   0.055317
+    1SOL     H6    6   0.280495   0.151583   0.091885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/117/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042974  -0.044447  -0.073076
+    0SOL     H3    3   0.043528  -0.070120   0.048486
+    1SOL     O4    4   0.155175   0.218574  -0.071350
+    1SOL     H5    5   0.102558   0.140935  -0.052219
+    1SOL     H6    6   0.227612   0.185918  -0.124724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/118/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053731  -0.068380   0.039994
+    0SOL     H3    3  -0.046651  -0.044459  -0.070777
+    1SOL     O4    4   0.122818  -0.173479   0.170729
+    1SOL     H5    5   0.160595  -0.259981   0.154839
+    1SOL     H6    6   0.049014  -0.189934   0.229418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/119/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054466  -0.026850   0.073992
+    0SOL     H3    3   0.056966  -0.075158  -0.016386
+    1SOL     O4    4  -0.088733   0.143273  -0.241787
+    1SOL     H5    5  -0.073671   0.084696  -0.167598
+    1SOL     H6    6  -0.118826   0.085708  -0.312093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/120/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038207   0.070744  -0.051940
+    0SOL     H3    3  -0.061126  -0.072955  -0.010176
+    1SOL     O4    4  -0.162582   0.061525   0.204782
+    1SOL     H5    5  -0.098739   0.044291   0.135577
+    1SOL     H6    6  -0.113186   0.108797   0.271772
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/121/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071737   0.063311   0.002800
+    0SOL     H3    3  -0.023521  -0.065827   0.065390
+    1SOL     O4    4   0.201943   0.157953   0.093432
+    1SOL     H5    5   0.213531   0.213439   0.170564
+    1SOL     H6    6   0.124173   0.105670   0.112945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/122/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080980   0.047939  -0.017504
+    0SOL     H3    3   0.011052  -0.057028  -0.076079
+    1SOL     O4    4  -0.223091   0.147141  -0.046539
+    1SOL     H5    5  -0.194344   0.179647  -0.131858
+    1SOL     H6    6  -0.293869   0.085958  -0.066774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/123/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034688  -0.056838   0.068764
+    0SOL     H3    3  -0.043299  -0.059761  -0.060961
+    1SOL     O4    4   0.169081   0.184882   0.178931
+    1SOL     H5    5   0.209806   0.250974   0.234927
+    1SOL     H6    6   0.141638   0.233114   0.100938
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/124/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050145  -0.077492   0.025354
+    0SOL     H3    3  -0.055463   0.044589  -0.064016
+    1SOL     O4    4  -0.136505   0.255829   0.210204
+    1SOL     H5    5  -0.087713   0.292379   0.136408
+    1SOL     H6    6  -0.120373   0.316810   0.282200
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/125/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049299  -0.072963   0.037527
+    0SOL     H3    3  -0.029922  -0.032423  -0.084946
+    1SOL     O4    4   0.077413  -0.264526   0.154266
+    1SOL     H5    5   0.162103  -0.308574   0.147210
+    1SOL     H6    6   0.013955  -0.329565   0.124177
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/126/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079851   0.052406  -0.006299
+    0SOL     H3    3  -0.007384  -0.063633  -0.071124
+    1SOL     O4    4   0.186690   0.204001   0.062166
+    1SOL     H5    5   0.166291   0.294329   0.037937
+    1SOL     H6    6   0.133550   0.150705   0.003022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/127/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069482  -0.034180  -0.056270
+    0SOL     H3    3   0.046264   0.046614   0.069636
+    1SOL     O4    4  -0.167361   0.175892  -0.152263
+    1SOL     H5    5  -0.135520   0.136214  -0.071182
+    1SOL     H6    6  -0.226617   0.245289  -0.123365
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/128/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067639  -0.025054  -0.062925
+    0SOL     H3    3  -0.052779   0.065156  -0.046168
+    1SOL     O4    4  -0.210582  -0.154400   0.042215
+    1SOL     H5    5  -0.123722  -0.115485   0.052371
+    1SOL     H6    6  -0.194421  -0.238184  -0.001161
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/129/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075872   0.006500   0.057996
+    0SOL     H3    3  -0.032352  -0.047378  -0.076622
+    1SOL     O4    4  -0.104510  -0.134791  -0.204805
+    1SOL     H5    5  -0.034307  -0.199780  -0.208013
+    1SOL     H6    6  -0.184948  -0.185891  -0.213795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/130/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068017   0.066285   0.011930
+    0SOL     H3    3  -0.035540  -0.059192  -0.066299
+    1SOL     O4    4  -0.180797   0.188021   0.015558
+    1SOL     H5    5  -0.243071   0.162331   0.083560
+    1SOL     H6    6  -0.129428   0.258296   0.055369
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/131/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085370  -0.039631   0.017429
+    0SOL     H3    3   0.005473   0.004187  -0.095472
+    1SOL     O4    4   0.077917   0.230044   0.095995
+    1SOL     H5    5   0.143842   0.254594   0.031084
+    1SOL     H6    6   0.044661   0.145568   0.065660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/132/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015934  -0.064330   0.069065
+    0SOL     H3    3  -0.093556   0.019249   0.006253
+    1SOL     O4    4  -0.095708  -0.264942  -0.167738
+    1SOL     H5    5  -0.028775  -0.327140  -0.139214
+    1SOL     H6    6  -0.160045  -0.318521  -0.214133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/133/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057226  -0.072552  -0.024974
+    0SOL     H3    3  -0.017338   0.013256   0.093199
+    1SOL     O4    4  -0.189627   0.064040   0.229835
+    1SOL     H5    5  -0.228488   0.131806   0.174519
+    1SOL     H6    6  -0.251817  -0.008625   0.226034
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/134/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066612  -0.043665   0.053090
+    0SOL     H3    3  -0.045346   0.023275  -0.081021
+    1SOL     O4    4   0.165871   0.153576   0.179028
+    1SOL     H5    5   0.123045   0.100110   0.112173
+    1SOL     H6    6   0.229611   0.094790   0.219571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/135/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068173  -0.065714  -0.014015
+    0SOL     H3    3  -0.075241  -0.049887   0.031818
+    1SOL     O4    4   0.032760  -0.234283   0.278525
+    1SOL     H5    5   0.102480  -0.221588   0.214180
+    1SOL     H6    6   0.076952  -0.271751   0.354718
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/136/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053084  -0.026791   0.075011
+    0SOL     H3    3  -0.033793   0.086254   0.024097
+    1SOL     O4    4   0.228687   0.021752  -0.150434
+    1SOL     H5    5   0.150578   0.020015  -0.095132
+    1SOL     H6    6   0.280365  -0.053384  -0.121344
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/137/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021154  -0.055032  -0.075408
+    0SOL     H3    3  -0.062481   0.072355  -0.004814
+    1SOL     O4    4  -0.113268  -0.329059   0.067030
+    1SOL     H5    5  -0.060160  -0.382459   0.126109
+    1SOL     H6    6  -0.153915  -0.392171   0.007640
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/138/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078723   0.051085  -0.018850
+    0SOL     H3    3  -0.028940  -0.031911  -0.085478
+    1SOL     O4    4  -0.270674  -0.138756   0.200245
+    1SOL     H5    5  -0.234998  -0.203611   0.139554
+    1SOL     H6    6  -0.359090  -0.169975   0.219483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/139/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009632   0.045965  -0.083407
+    0SOL     H3    3   0.080436  -0.050949  -0.009824
+    1SOL     O4    4   0.180995  -0.195796   0.027029
+    1SOL     H5    5   0.260325  -0.147920   0.003008
+    1SOL     H6    6   0.185013  -0.276321  -0.024564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/140/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083013   0.038647   0.027886
+    0SOL     H3    3  -0.023708  -0.058358  -0.072074
+    1SOL     O4    4   0.080705  -0.276121  -0.180331
+    1SOL     H5    5   0.059580  -0.302209  -0.090690
+    1SOL     H6    6   0.166850  -0.234927  -0.173668
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/141/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069909   0.061280   0.022799
+    0SOL     H3    3   0.025252  -0.039693   0.083361
+    1SOL     O4    4   0.099567  -0.089887   0.211450
+    1SOL     H5    5   0.182013  -0.137438   0.221634
+    1SOL     H6    6   0.031936  -0.154446   0.231959
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/142/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064721   0.067547  -0.020271
+    0SOL     H3    3  -0.038033  -0.080795  -0.034467
+    1SOL     O4    4  -0.152272  -0.038985   0.230327
+    1SOL     H5    5  -0.094710  -0.007002   0.160858
+    1SOL     H6    6  -0.094282  -0.087279   0.289210
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065444  -0.021909   0.066328
+    0SOL     H3    3  -0.048740   0.048219  -0.066795
+    1SOL     O4    4  -0.252929  -0.005958   0.157627
+    1SOL     H5    5  -0.209487   0.038899   0.230173
+    1SOL     H6    6  -0.288435   0.064618   0.103584
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/144/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049871   0.073358   0.035969
+    0SOL     H3    3  -0.089523   0.033099  -0.007246
+    1SOL     O4    4   0.128253  -0.069129  -0.242404
+    1SOL     H5    5   0.070363  -0.047828  -0.169211
+    1SOL     H6    6   0.185055   0.007420  -0.251140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/145/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018653   0.070917  -0.061523
+    0SOL     H3    3  -0.060469  -0.069899  -0.024900
+    1SOL     O4    4   0.218884  -0.178877  -0.015470
+    1SOL     H5    5   0.234858  -0.216501   0.071084
+    1SOL     H6    6   0.157751  -0.106980   0.000525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/146/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033339  -0.035473  -0.082417
+    0SOL     H3    3  -0.076623   0.003769   0.057245
+    1SOL     O4    4  -0.176130  -0.126575  -0.176389
+    1SOL     H5    5  -0.220222  -0.099258  -0.256838
+    1SOL     H6    6  -0.246635  -0.158349  -0.119982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/147/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021443  -0.056788  -0.074011
+    0SOL     H3    3   0.012058  -0.060011   0.073591
+    1SOL     O4    4   0.254205  -0.121576  -0.180323
+    1SOL     H5    5   0.304501  -0.069219  -0.117942
+    1SOL     H6    6   0.319289  -0.153492  -0.242835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/148/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085508   0.043016  -0.000508
+    0SOL     H3    3  -0.014203  -0.081058   0.048890
+    1SOL     O4    4  -0.152761  -0.263828  -0.168000
+    1SOL     H5    5  -0.200073  -0.194544  -0.214083
+    1SOL     H6    6  -0.166943  -0.244968  -0.075234
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/149/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076279   0.015512   0.055707
+    0SOL     H3    3  -0.034564  -0.048161  -0.075154
+    1SOL     O4    4   0.139673  -0.157331   0.191077
+    1SOL     H5    5   0.181817  -0.239512   0.165929
+    1SOL     H6    6   0.113066  -0.117643   0.108135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/150/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050136   0.039138  -0.071532
+    0SOL     H3    3   0.037179   0.074689   0.046920
+    1SOL     O4    4   0.313542   0.021949   0.105811
+    1SOL     H5    5   0.383637  -0.030936   0.067705
+    1SOL     H6    6   0.276009   0.069185   0.031498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/151/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058099  -0.045664   0.060841
+    0SOL     H3    3   0.053509   0.056496   0.055743
+    1SOL     O4    4   0.218864  -0.154642   0.002460
+    1SOL     H5    5   0.148439  -0.093124  -0.017990
+    1SOL     H6    6   0.288424  -0.100128   0.039230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/152/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060658  -0.060606   0.042541
+    0SOL     H3    3   0.039037   0.049427   0.072079
+    1SOL     O4    4  -0.184129  -0.186522   0.088313
+    1SOL     H5    5  -0.254457  -0.167628   0.150437
+    1SOL     H6    6  -0.227844  -0.229925   0.015049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/153/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045803   0.071153   0.044741
+    0SOL     H3    3  -0.082519  -0.009123   0.047642
+    1SOL     O4    4   0.155356  -0.220788  -0.064564
+    1SOL     H5    5   0.107154  -0.289864  -0.110033
+    1SOL     H6    6   0.089690  -0.153479  -0.046683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/154/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054578  -0.038739   0.068432
+    0SOL     H3    3   0.050634   0.067580   0.045071
+    1SOL     O4    4   0.230313  -0.149111  -0.002350
+    1SOL     H5    5   0.155043  -0.090663  -0.011320
+    1SOL     H6    6   0.303289  -0.091101   0.019367
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/155/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051267  -0.057486   0.056828
+    0SOL     H3    3  -0.035656  -0.058189  -0.067119
+    1SOL     O4    4  -0.152511   0.195313   0.104759
+    1SOL     H5    5  -0.104105   0.128997   0.055552
+    1SOL     H6    6  -0.187464   0.254119   0.037807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/156/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066552   0.068175   0.009242
+    0SOL     H3    3  -0.040504  -0.065534  -0.056807
+    1SOL     O4    4   0.299109   0.019803   0.047295
+    1SOL     H5    5   0.265878  -0.063669   0.014271
+    1SOL     H6    6   0.349726  -0.003607   0.125091
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/157/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069975  -0.065218  -0.003520
+    0SOL     H3    3  -0.040879  -0.013254   0.085531
+    1SOL     O4    4  -0.171474   0.148032  -0.175879
+    1SOL     H5    5  -0.122768   0.079736  -0.129773
+    1SOL     H6    6  -0.216948   0.101736  -0.246242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/158/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048840   0.048646   0.066412
+    0SOL     H3    3   0.058781  -0.056567   0.050073
+    1SOL     O4    4   0.158749  -0.122257   0.171056
+    1SOL     H5    5   0.093021  -0.139067   0.238580
+    1SOL     H6    6   0.224699  -0.068301   0.214664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/159/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064649   0.069444  -0.012661
+    0SOL     H3    3  -0.047771  -0.003715  -0.082864
+    1SOL     O4    4  -0.233330  -0.005776   0.161245
+    1SOL     H5    5  -0.149945   0.019824   0.121825
+    1SOL     H6    6  -0.279765   0.076801   0.174925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/160/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054404  -0.055102  -0.056271
+    0SOL     H3    3   0.051214   0.079967   0.012033
+    1SOL     O4    4   0.235021  -0.079710   0.257185
+    1SOL     H5    5   0.152504  -0.127905   0.251666
+    1SOL     H6    6   0.265320  -0.073549   0.166597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/161/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023111   0.077453  -0.051275
+    0SOL     H3    3  -0.034055   0.018168   0.087593
+    1SOL     O4    4   0.233374   0.029270   0.310869
+    1SOL     H5    5   0.162816  -0.034334   0.322632
+    1SOL     H6    6   0.256804   0.055841   0.399792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/162/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019103  -0.074999  -0.056325
+    0SOL     H3    3  -0.068879  -0.001728   0.066446
+    1SOL     O4    4  -0.194825  -0.020884   0.168267
+    1SOL     H5    5  -0.145040  -0.054286   0.242887
+    1SOL     H6    6  -0.229368  -0.099222   0.125462
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/163/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091036  -0.029572  -0.000517
+    0SOL     H3    3   0.022479   0.010097  -0.092493
+    1SOL     O4    4  -0.205488  -0.193261   0.032849
+    1SOL     H5    5  -0.273885  -0.149456   0.083499
+    1SOL     H6    6  -0.247381  -0.214750  -0.050491
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/164/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057364  -0.043415   0.063141
+    0SOL     H3    3   0.073947  -0.059888  -0.010378
+    1SOL     O4    4  -0.066563   0.139526  -0.211230
+    1SOL     H5    5  -0.059376   0.092341  -0.128259
+    1SOL     H6    6  -0.138149   0.201556  -0.197440
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/165/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045783  -0.061091  -0.057743
+    0SOL     H3    3   0.043529  -0.055876   0.064385
+    1SOL     O4    4  -0.201895   0.047306  -0.275323
+    1SOL     H5    5  -0.115876   0.088446  -0.266924
+    1SOL     H6    6  -0.187811  -0.025663  -0.335651
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/166/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055529  -0.048803   0.060804
+    0SOL     H3    3   0.060766   0.035116  -0.065089
+    1SOL     O4    4  -0.069826  -0.232293  -0.100870
+    1SOL     H5    5  -0.158888  -0.267337  -0.102375
+    1SOL     H6    6  -0.074711  -0.156850  -0.042161
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/167/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068105  -0.058316  -0.033517
+    0SOL     H3    3   0.079067  -0.053925   0.001700
+    1SOL     O4    4   0.113040   0.102120  -0.312400
+    1SOL     H5    5   0.152748   0.125366  -0.228464
+    1SOL     H6    6   0.038768   0.046375  -0.289194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/168/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092792   0.019456   0.013167
+    0SOL     H3    3   0.010271  -0.090004   0.030920
+    1SOL     O4    4   0.122300  -0.086801  -0.230356
+    1SOL     H5    5   0.063577  -0.044155  -0.167944
+    1SOL     H6    6   0.166234  -0.154838  -0.179335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/169/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.029590  -0.032921  -0.084871
+    0SOL     H3    3  -0.080628   0.022228   0.046555
+    1SOL     O4    4   0.170627  -0.183344   0.154638
+    1SOL     H5    5   0.132674  -0.126648   0.087501
+    1SOL     H6    6   0.221843  -0.124233   0.209820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/170/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051906  -0.041683   0.068779
+    0SOL     H3    3  -0.048723   0.079383  -0.022059
+    1SOL     O4    4   0.287032  -0.230506  -0.068416
+    1SOL     H5    5   0.248333  -0.185717  -0.143640
+    1SOL     H6    6   0.216972  -0.232857  -0.003236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/171/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050878   0.040181   0.070422
+    0SOL     H3    3   0.064865   0.066318  -0.023596
+    1SOL     O4    4   0.187294   0.210228  -0.082419
+    1SOL     H5    5   0.257115   0.201885  -0.147363
+    1SOL     H6    6   0.125971   0.272778  -0.121011
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/172/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060770  -0.023446  -0.070140
+    0SOL     H3    3   0.055570   0.037317   0.068423
+    1SOL     O4    4   0.129926  -0.056389  -0.231377
+    1SOL     H5    5   0.222296  -0.081023  -0.236198
+    1SOL     H6    6   0.129197   0.037635  -0.249303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/173/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063879  -0.065490  -0.028159
+    0SOL     H3    3   0.084461  -0.044599  -0.006295
+    1SOL     O4    4  -0.080430   0.232327  -0.102028
+    1SOL     H5    5  -0.019532   0.297462  -0.136827
+    1SOL     H6    6  -0.024572   0.168658  -0.057437
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/174/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010128   0.053849   0.078486
+    0SOL     H3    3  -0.076343  -0.057739   0.000495
+    1SOL     O4    4  -0.086087   0.112918  -0.222739
+    1SOL     H5    5  -0.153546   0.180603  -0.228253
+    1SOL     H6    6  -0.064637   0.107947  -0.129586
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/175/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003211  -0.056690  -0.077060
+    0SOL     H3    3  -0.066748   0.066615  -0.016415
+    1SOL     O4    4  -0.288096  -0.133593   0.183359
+    1SOL     H5    5  -0.234498  -0.196811   0.135472
+    1SOL     H6    6  -0.224993  -0.072145   0.220836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/176/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039310   0.067244   0.055636
+    0SOL     H3    3  -0.053163   0.048889  -0.062817
+    1SOL     O4    4   0.155598   0.165622   0.169441
+    1SOL     H5    5   0.211936   0.174579   0.092576
+    1SOL     H6    6   0.212939   0.129755   0.237175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/177/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065538   0.066101   0.022311
+    0SOL     H3    3   0.051990   0.040271  -0.069552
+    1SOL     O4    4  -0.137853   0.217637   0.063999
+    1SOL     H5    5  -0.091786   0.287659   0.110227
+    1SOL     H6    6  -0.212647   0.197024   0.120064
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/178/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085826   0.038184   0.018391
+    0SOL     H3    3   0.060995   0.073403   0.007341
+    1SOL     O4    4   0.099837   0.294477  -0.178047
+    1SOL     H5    5   0.171225   0.336723  -0.225811
+    1SOL     H6    6   0.037920   0.365194  -0.159946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/179/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065668   0.021849  -0.066126
+    0SOL     H3    3  -0.044581   0.082807   0.017827
+    1SOL     O4    4   0.210936  -0.016771  -0.167501
+    1SOL     H5    5   0.262658  -0.078995  -0.116360
+    1SOL     H6    6   0.178369  -0.067841  -0.241619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/180/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061360  -0.024928   0.069108
+    0SOL     H3    3   0.041603   0.079845   0.032500
+    1SOL     O4    4  -0.177853   0.140808  -0.184978
+    1SOL     H5    5  -0.128856   0.065741  -0.151414
+    1SOL     H6    6  -0.229487   0.105345  -0.257356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/181/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061588   0.039188  -0.061916
+    0SOL     H3    3  -0.043783  -0.068862  -0.050034
+    1SOL     O4    4   0.169218   0.086295  -0.241177
+    1SOL     H5    5   0.251738   0.132522  -0.255873
+    1SOL     H6    6   0.102216   0.154425  -0.246783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/182/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086871   0.038792   0.010529
+    0SOL     H3    3  -0.000950  -0.076835   0.057078
+    1SOL     O4    4   0.196538   0.196392   0.011264
+    1SOL     H5    5   0.218799   0.246192   0.089920
+    1SOL     H6    6   0.129848   0.134180   0.040321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/183/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021473   0.074070   0.056700
+    0SOL     H3    3  -0.022240   0.039845  -0.084143
+    1SOL     O4    4  -0.087483   0.129616  -0.234339
+    1SOL     H5    5  -0.090768   0.071052  -0.309981
+    1SOL     H6    6  -0.154742   0.195399  -0.251979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/184/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073133  -0.053764   0.030386
+    0SOL     H3    3   0.063437  -0.062946  -0.034291
+    1SOL     O4    4   0.225765  -0.129722  -0.057639
+    1SOL     H5    5   0.230668  -0.163186  -0.147184
+    1SOL     H6    6   0.301745  -0.072095  -0.049361
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/185/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039763   0.070748   0.050754
+    0SOL     H3    3   0.059069  -0.074344   0.012092
+    1SOL     O4    4   0.119836   0.216704   0.103566
+    1SOL     H5    5   0.066330   0.292699   0.126463
+    1SOL     H6    6   0.185612   0.251012   0.043078
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/186/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041509  -0.072562   0.046627
+    0SOL     H3    3  -0.085345  -0.034240  -0.026575
+    1SOL     O4    4   0.168059   0.059541  -0.214215
+    1SOL     H5    5   0.228383  -0.013985  -0.225041
+    1SOL     H6    6   0.108150   0.031447  -0.145049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/187/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069045  -0.052292  -0.040751
+    0SOL     H3    3  -0.059238  -0.064456   0.038713
+    1SOL     O4    4  -0.074888   0.234652  -0.151074
+    1SOL     H5    5  -0.060528   0.217496  -0.244142
+    1SOL     H6    6  -0.052655   0.152235  -0.107768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/188/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081155   0.050702   0.002363
+    0SOL     H3    3  -0.018767  -0.077794   0.052519
+    1SOL     O4    4   0.088280  -0.239579   0.148829
+    1SOL     H5    5   0.031872  -0.314925   0.166248
+    1SOL     H6    6   0.155758  -0.273239   0.089871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/189/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038467  -0.087651  -0.000143
+    0SOL     H3    3   0.077752  -0.007824  -0.055279
+    1SOL     O4    4  -0.212598  -0.163903  -0.008501
+    1SOL     H5    5  -0.281753  -0.166856   0.057614
+    1SOL     H6    6  -0.235962  -0.089777  -0.064374
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/190/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045883   0.080993   0.022297
+    0SOL     H3    3   0.047687   0.020774  -0.080354
+    1SOL     O4    4   0.170216   0.038387  -0.198039
+    1SOL     H5    5   0.221356   0.105468  -0.243284
+    1SOL     H6    6   0.123499  -0.007383  -0.267931
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/191/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044832  -0.079182  -0.029710
+    0SOL     H3    3  -0.064261  -0.031267   0.063681
+    1SOL     O4    4  -0.092513  -0.341586   0.079078
+    1SOL     H5    5  -0.103266  -0.291585   0.159990
+    1SOL     H6    6  -0.172379  -0.393926   0.072418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/192/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049265  -0.081401   0.010450
+    0SOL     H3    3   0.056264  -0.015569  -0.075857
+    1SOL     O4    4   0.086052  -0.359311  -0.094956
+    1SOL     H5    5   0.167942  -0.407552  -0.106320
+    1SOL     H6    6   0.083435  -0.298696  -0.168992
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/193/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061427   0.072823   0.009267
+    0SOL     H3    3   0.002820  -0.040214   0.086817
+    1SOL     O4    4   0.114221  -0.319967  -0.023710
+    1SOL     H5    5   0.180619  -0.259791  -0.057362
+    1SOL     H6    6   0.164184  -0.393905   0.010919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/194/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050536  -0.055601   0.059304
+    0SOL     H3    3  -0.051169  -0.061387  -0.052685
+    1SOL     O4    4   0.247291  -0.238368  -0.080600
+    1SOL     H5    5   0.279743  -0.200555  -0.162328
+    1SOL     H6    6   0.245458  -0.164926  -0.019240
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/195/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055202   0.055223  -0.055367
+    0SOL     H3    3  -0.057457  -0.027336   0.071510
+    1SOL     O4    4   0.114456   0.190885   0.151185
+    1SOL     H5    5   0.099407   0.106659   0.108268
+    1SOL     H6    6   0.040357   0.245143   0.124211
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/196/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016335  -0.054019  -0.077314
+    0SOL     H3    3   0.079778   0.051878   0.010321
+    1SOL     O4    4   0.250122  -0.168005  -0.204108
+    1SOL     H5    5   0.328583  -0.192830  -0.252995
+    1SOL     H6    6   0.283500  -0.130072  -0.122811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/197/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075949  -0.043261   0.039020
+    0SOL     H3    3   0.022291   0.069660   0.061748
+    1SOL     O4    4  -0.009004  -0.215537   0.274749
+    1SOL     H5    5  -0.077625  -0.222630   0.341105
+    1SOL     H6    6  -0.046331  -0.257202   0.197076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/198/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063946  -0.017456  -0.069054
+    0SOL     H3    3  -0.050987   0.074123  -0.032686
+    1SOL     O4    4  -0.001975  -0.248820  -0.255786
+    1SOL     H5    5   0.079985  -0.225252  -0.299255
+    1SOL     H6    6   0.024959  -0.302535  -0.181278
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/199/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016238   0.094229   0.004425
+    0SOL     H3    3   0.056242  -0.011087  -0.076656
+    1SOL     O4    4  -0.212467   0.052382  -0.243558
+    1SOL     H5    5  -0.130101   0.097639  -0.261724
+    1SOL     H6    6  -0.279816   0.109165  -0.281002
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/200/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047780   0.058165  -0.059129
+    0SOL     H3    3  -0.061603  -0.017870   0.071050
+    1SOL     O4    4   0.146914  -0.235454  -0.067598
+    1SOL     H5    5   0.097933  -0.160130  -0.034592
+    1SOL     H6    6   0.196855  -0.266561   0.007904
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/201/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039370   0.065482   0.057658
+    0SOL     H3    3  -0.078334  -0.029093   0.046687
+    1SOL     O4    4   0.218845  -0.168607  -0.009091
+    1SOL     H5    5   0.133795  -0.124750  -0.006763
+    1SOL     H6    6   0.275422  -0.114175   0.045668
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/202/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021568   0.052428  -0.077126
+    0SOL     H3    3  -0.065109  -0.070165   0.000296
+    1SOL     O4    4   0.195551  -0.212439   0.080290
+    1SOL     H5    5   0.284603  -0.177870   0.086386
+    1SOL     H6    6   0.143062  -0.138336   0.050027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/203/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074813   0.028579   0.052427
+    0SOL     H3    3   0.057100  -0.045055   0.062225
+    1SOL     O4    4   0.172381  -0.121530   0.194333
+    1SOL     H5    5   0.225149  -0.194936   0.162877
+    1SOL     H6    6   0.235695  -0.061771   0.234116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/204/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015719   0.078905   0.051858
+    0SOL     H3    3  -0.020517   0.032572  -0.087638
+    1SOL     O4    4  -0.071181   0.138396  -0.209964
+    1SOL     H5    5  -0.056003   0.075567  -0.280565
+    1SOL     H6    6   0.007292   0.193205  -0.209332
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/205/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081632   0.028513  -0.041055
+    0SOL     H3    3   0.026338  -0.031441   0.086487
+    1SOL     O4    4  -0.045059   0.289707  -0.221959
+    1SOL     H5    5  -0.054524   0.341115  -0.302146
+    1SOL     H6    6   0.029047   0.231650  -0.239279
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/206/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044048  -0.044233   0.072564
+    0SOL     H3    3  -0.054213  -0.067909  -0.040144
+    1SOL     O4    4  -0.106582  -0.202150  -0.167641
+    1SOL     H5    5  -0.176334  -0.263974  -0.145850
+    1SOL     H6    6  -0.115017  -0.188750  -0.262042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/207/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095049   0.010112  -0.005084
+    0SOL     H3    3   0.033368   0.089512   0.006040
+    1SOL     O4    4  -0.238297   0.126356   0.022013
+    1SOL     H5    5  -0.315381   0.089402   0.065079
+    1SOL     H6    6  -0.190953   0.171328   0.092001
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/208/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048406   0.026534   0.078199
+    0SOL     H3    3  -0.025999   0.082378  -0.041234
+    1SOL     O4    4  -0.148560  -0.224123   0.073231
+    1SOL     H5    5  -0.098837  -0.146773   0.046645
+    1SOL     H6    6  -0.221133  -0.189354   0.125063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/209/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.029188  -0.053065   0.074125
+    0SOL     H3    3  -0.066840   0.067970  -0.008651
+    1SOL     O4    4   0.243165   0.135233  -0.021532
+    1SOL     H5    5   0.203926   0.197669  -0.082560
+    1SOL     H6    6   0.175384   0.069000  -0.008071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/210/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055042   0.072728   0.029041
+    0SOL     H3    3   0.061441   0.039593  -0.061804
+    1SOL     O4    4  -0.100050  -0.231307  -0.123163
+    1SOL     H5    5  -0.085547  -0.154417  -0.068027
+    1SOL     H6    6  -0.075201  -0.202812  -0.211100
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/211/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036459   0.087608  -0.012565
+    0SOL     H3    3   0.094389   0.014113   0.007338
+    1SOL     O4    4  -0.136076  -0.086296   0.238789
+    1SOL     H5    5  -0.071113  -0.035185   0.190521
+    1SOL     H6    6  -0.192340  -0.123741   0.171006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/212/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020092   0.019095  -0.091619
+    0SOL     H3    3   0.060678  -0.073941  -0.003645
+    1SOL     O4    4  -0.173959  -0.195578  -0.052509
+    1SOL     H5    5  -0.264527  -0.165015  -0.047457
+    1SOL     H6    6  -0.123279  -0.128002  -0.007482
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/213/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060502   0.046959   0.057417
+    0SOL     H3    3   0.070503  -0.028911   0.057929
+    1SOL     O4    4  -0.326335   0.007679  -0.115874
+    1SOL     H5    5  -0.271285   0.035687  -0.189000
+    1SOL     H6    6  -0.382285  -0.060669  -0.152758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/214/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050528  -0.081285  -0.001372
+    0SOL     H3    3  -0.079365  -0.021898   0.048826
+    1SOL     O4    4   0.151115  -0.215328  -0.070564
+    1SOL     H5    5   0.217223  -0.187205  -0.133819
+    1SOL     H6    6   0.106895  -0.288784  -0.113121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/215/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062911   0.018361  -0.069766
+    0SOL     H3    3  -0.068956  -0.050881  -0.042645
+    1SOL     O4    4  -0.199067   0.177630   0.116254
+    1SOL     H5    5  -0.179794   0.090924   0.080577
+    1SOL     H6    6  -0.267129   0.162053   0.181731
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/216/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060882  -0.058113   0.045591
+    0SOL     H3    3   0.048888   0.081433  -0.011872
+    1SOL     O4    4  -0.108697   0.330049   0.012692
+    1SOL     H5    5  -0.137529   0.312584  -0.076896
+    1SOL     H6    6  -0.035336   0.390748   0.002890
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/217/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085672   0.040001  -0.014917
+    0SOL     H3    3  -0.010800  -0.061387  -0.072645
+    1SOL     O4    4  -0.191071  -0.036517   0.193338
+    1SOL     H5    5  -0.239645  -0.113480   0.163682
+    1SOL     H6    6  -0.134187  -0.014181   0.119665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/218/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043359  -0.041926   0.074327
+    0SOL     H3    3   0.068711   0.008723  -0.066069
+    1SOL     O4    4   0.158855  -0.113690   0.193140
+    1SOL     H5    5   0.227521  -0.148446   0.136224
+    1SOL     H6    6   0.205305  -0.083921   0.271361
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/219/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049743   0.076770  -0.028183
+    0SOL     H3    3  -0.039946  -0.033509  -0.080273
+    1SOL     O4    4   0.156615   0.189229  -0.120794
+    1SOL     H5    5   0.142120   0.269216  -0.171334
+    1SOL     H6    6   0.230735   0.146696  -0.163915
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/220/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085882  -0.042158  -0.003050
+    0SOL     H3    3   0.058414  -0.067069   0.035382
+    1SOL     O4    4   0.193298  -0.200489   0.049112
+    1SOL     H5    5   0.191329  -0.256006   0.127063
+    1SOL     H6    6   0.256243  -0.131566   0.070320
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/221/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061690  -0.030228   0.066655
+    0SOL     H3    3   0.069893  -0.065399   0.000565
+    1SOL     O4    4   0.136047   0.136550   0.184840
+    1SOL     H5    5   0.094498   0.115370   0.101249
+    1SOL     H6    6   0.188392   0.214570   0.166535
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/222/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012660  -0.079301  -0.052090
+    0SOL     H3    3  -0.044316  -0.018366   0.082832
+    1SOL     O4    4   0.190792   0.002050   0.263821
+    1SOL     H5    5   0.143643   0.080384   0.292159
+    1SOL     H6    6   0.243063  -0.023331   0.339886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/223/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057124   0.040729  -0.065118
+    0SOL     H3    3  -0.060027  -0.038815   0.063658
+    1SOL     O4    4   0.077215   0.284960  -0.215728
+    1SOL     H5    5  -0.018096   0.276573  -0.212928
+    1SOL     H6    6   0.095857   0.363950  -0.164979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/224/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036275  -0.083067  -0.030762
+    0SOL     H3    3  -0.065283   0.023558  -0.065920
+    1SOL     O4    4  -0.188148   0.111383  -0.140773
+    1SOL     H5    5  -0.134653   0.186242  -0.167169
+    1SOL     H6    6  -0.202285   0.062262  -0.221703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/225/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074783   0.028244  -0.052651
+    0SOL     H3    3   0.038909  -0.034727   0.080265
+    1SOL     O4    4   0.163618   0.194960   0.164014
+    1SOL     H5    5   0.122351   0.254602   0.101547
+    1SOL     H6    6   0.094639   0.175009   0.227309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/226/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078179   0.020302   0.051363
+    0SOL     H3    3  -0.033763  -0.038180  -0.081022
+    1SOL     O4    4   0.191913   0.090443   0.221167
+    1SOL     H5    5   0.101848   0.121614   0.230051
+    1SOL     H6    6   0.197364   0.015571   0.280554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/227/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057583  -0.068356   0.034263
+    0SOL     H3    3  -0.059302   0.070396  -0.026266
+    1SOL     O4    4   0.045236  -0.082135   0.362123
+    1SOL     H5    5  -0.027164  -0.019922   0.369201
+    1SOL     H6    6   0.032600  -0.142128   0.435632
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/228/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058464  -0.046844   0.059581
+    0SOL     H3    3  -0.028538  -0.066402  -0.062759
+    1SOL     O4    4   0.181131   0.149873  -0.058655
+    1SOL     H5    5   0.095936   0.116874  -0.030103
+    1SOL     H6    6   0.185996   0.238317  -0.022376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/229/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024199  -0.080274  -0.046183
+    0SOL     H3    3  -0.049446   0.068984  -0.044257
+    1SOL     O4    4  -0.193053  -0.080971   0.203028
+    1SOL     H5    5  -0.115347  -0.060201   0.151136
+    1SOL     H6    6  -0.158430  -0.115088   0.285487
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/230/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050487   0.072186   0.037452
+    0SOL     H3    3  -0.048952   0.039771  -0.072002
+    1SOL     O4    4   0.127450   0.158359   0.203229
+    1SOL     H5    5   0.055819   0.205148   0.246149
+    1SOL     H6    6   0.185297   0.227447   0.170935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/231/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067627  -0.028128  -0.061626
+    0SOL     H3    3  -0.046195   0.070386  -0.045543
+    1SOL     O4    4   0.208033  -0.192898   0.132830
+    1SOL     H5    5   0.135367  -0.175473   0.192649
+    1SOL     H6    6   0.166234  -0.225672   0.053199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/232/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073856  -0.059297   0.013839
+    0SOL     H3    3  -0.031311   0.020311   0.088144
+    1SOL     O4    4  -0.132613   0.093009   0.224600
+    1SOL     H5    5  -0.112535   0.048495   0.306926
+    1SOL     H6    6  -0.100246   0.182227   0.237044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/233/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093925   0.009966   0.015527
+    0SOL     H3    3   0.021838  -0.084826   0.038600
+    1SOL     O4    4   0.177063   0.191111   0.013007
+    1SOL     H5    5   0.156790   0.246010  -0.062739
+    1SOL     H6    6   0.106495   0.126484   0.015381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/234/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073158   0.021232  -0.057961
+    0SOL     H3    3   0.039575  -0.007511   0.086832
+    1SOL     O4    4   0.067055  -0.132908   0.226372
+    1SOL     H5    5   0.069354  -0.076877   0.303945
+    1SOL     H6    6   0.141701  -0.191855   0.237124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/235/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022825   0.079359   0.048409
+    0SOL     H3    3   0.050109   0.006245  -0.081316
+    1SOL     O4    4   0.148465  -0.214558   0.082395
+    1SOL     H5    5   0.129693  -0.254347  -0.002615
+    1SOL     H6    6   0.085715  -0.142636   0.089611
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/236/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045700  -0.083695  -0.008307
+    0SOL     H3    3  -0.020878   0.024982  -0.090013
+    1SOL     O4    4  -0.165506   0.181277  -0.165339
+    1SOL     H5    5  -0.098994   0.247514  -0.184080
+    1SOL     H6    6  -0.201629   0.158622  -0.251037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/237/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077921  -0.055004  -0.008068
+    0SOL     H3    3   0.004875   0.059629  -0.074719
+    1SOL     O4    4   0.044152  -0.172917   0.316289
+    1SOL     H5    5   0.111904  -0.105407   0.312486
+    1SOL     H6    6   0.085877  -0.246273   0.361458
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/238/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084779   0.028200  -0.034344
+    0SOL     H3    3  -0.021988  -0.077788  -0.051263
+    1SOL     O4    4  -0.193016   0.199407   0.006853
+    1SOL     H5    5  -0.213199   0.240071  -0.077417
+    1SOL     H6    6  -0.125611   0.134516  -0.013344
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/239/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062087   0.045592   0.056824
+    0SOL     H3    3  -0.005139   0.054489  -0.078530
+    1SOL     O4    4   0.136662   0.105326   0.196276
+    1SOL     H5    5   0.048965   0.131269   0.224534
+    1SOL     H6    6   0.156329   0.027109   0.247827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/240/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060335   0.030870   0.067595
+    0SOL     H3    3  -0.054876  -0.011942  -0.077513
+    1SOL     O4    4  -0.160183   0.086842   0.249406
+    1SOL     H5    5  -0.248218   0.115552   0.273654
+    1SOL     H6    6  -0.103555   0.160181   0.273427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/241/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022641  -0.033593  -0.086725
+    0SOL     H3    3   0.011569  -0.074868   0.058508
+    1SOL     O4    4   0.190021   0.174161   0.066895
+    1SOL     H5    5   0.140325   0.092597   0.073206
+    1SOL     H6    6   0.175217   0.217835   0.150775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/242/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065025  -0.002613  -0.070194
+    0SOL     H3    3   0.032879  -0.061596   0.065477
+    1SOL     O4    4  -0.160630  -0.171209  -0.143443
+    1SOL     H5    5  -0.108099  -0.121737  -0.080552
+    1SOL     H6    6  -0.198051  -0.104602  -0.201109
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/243/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090723  -0.030117   0.004965
+    0SOL     H3    3   0.004569   0.081907  -0.049322
+    1SOL     O4    4   0.146171   0.270968   0.122117
+    1SOL     H5    5   0.054404   0.296966   0.130192
+    1SOL     H6    6   0.149820   0.183480   0.160780
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/244/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082444  -0.022789   0.042964
+    0SOL     H3    3  -0.025706   0.056658  -0.072742
+    1SOL     O4    4  -0.078009   0.162459  -0.195532
+    1SOL     H5    5  -0.079134   0.104277  -0.271532
+    1SOL     H6    6  -0.000077   0.216635  -0.207935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/245/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020096  -0.030232   0.088569
+    0SOL     H3    3  -0.008309  -0.078233  -0.054525
+    1SOL     O4    4  -0.056896  -0.233945  -0.149816
+    1SOL     H5    5   0.025860  -0.280273  -0.162754
+    1SOL     H6    6  -0.122820  -0.291146  -0.189116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/246/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063257   0.038443   0.060687
+    0SOL     H3    3  -0.053285  -0.050595  -0.061344
+    1SOL     O4    4   0.147662   0.247608  -0.018777
+    1SOL     H5    5   0.107952   0.164477   0.007198
+    1SOL     H6    6   0.202721   0.272170   0.055570
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/247/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068849   0.044150   0.049728
+    0SOL     H3    3   0.040097  -0.081956  -0.028945
+    1SOL     O4    4  -0.163855  -0.105323   0.188344
+    1SOL     H5    5  -0.126605  -0.068424   0.108262
+    1SOL     H6    6  -0.243983  -0.149087   0.159593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/248/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012649   0.085608   0.040910
+    0SOL     H3    3   0.072772  -0.039162   0.048300
+    1SOL     O4    4   0.161320   0.084515  -0.226680
+    1SOL     H5    5   0.115670   0.125024  -0.300419
+    1SOL     H6    6   0.092506   0.039578  -0.177613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/249/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083818   0.029656  -0.035459
+    0SOL     H3    3  -0.015546  -0.084344  -0.042505
+    1SOL     O4    4  -0.083478  -0.257395  -0.124140
+    1SOL     H5    5  -0.162983  -0.310685  -0.122953
+    1SOL     H6    6  -0.068785  -0.238273  -0.216772
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/250/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007224   0.011819   0.094712
+    0SOL     H3    3   0.076303  -0.056666  -0.011363
+    1SOL     O4    4   0.205715  -0.164473  -0.004613
+    1SOL     H5    5   0.284278  -0.120643  -0.037310
+    1SOL     H6    6   0.187904  -0.233007  -0.069019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/251/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003982  -0.054674  -0.078468
+    0SOL     H3    3   0.039122  -0.056482   0.066645
+    1SOL     O4    4  -0.171436   0.204548  -0.046565
+    1SOL     H5    5  -0.264438   0.182006  -0.044385
+    1SOL     H6    6  -0.126666   0.124355  -0.019600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/252/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008446   0.086458  -0.040200
+    0SOL     H3    3   0.084113  -0.042538  -0.016670
+    1SOL     O4    4  -0.180201   0.075543   0.204159
+    1SOL     H5    5  -0.225702  -0.004156   0.231361
+    1SOL     H6    6  -0.130426   0.049498   0.126658
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/253/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065384  -0.026616   0.064645
+    0SOL     H3    3   0.064431  -0.070787   0.000487
+    1SOL     O4    4   0.221937  -0.190457  -0.027649
+    1SOL     H5    5   0.259851  -0.250739   0.036311
+    1SOL     H6    6   0.279260  -0.113834  -0.025328
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/254/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066800   0.043775   0.052763
+    0SOL     H3    3   0.050105  -0.051874   0.062935
+    1SOL     O4    4  -0.266188  -0.236848   0.069111
+    1SOL     H5    5  -0.176082  -0.267515   0.058971
+    1SOL     H6    6  -0.277986  -0.227872   0.163676
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/255/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082291   0.041513  -0.025828
+    0SOL     H3    3  -0.024345  -0.053903  -0.075261
+    1SOL     O4    4  -0.174739   0.216467  -0.041156
+    1SOL     H5    5  -0.188945   0.252991  -0.128485
+    1SOL     H6    6  -0.109954   0.147247  -0.054340
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/256/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069342  -0.019589  -0.063010
+    0SOL     H3    3  -0.055423   0.064131  -0.044473
+    1SOL     O4    4   0.114450  -0.068783  -0.238328
+    1SOL     H5    5   0.200957  -0.109560  -0.242353
+    1SOL     H6    6   0.118913   0.003231  -0.301227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/257/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047019  -0.018500  -0.081297
+    0SOL     H3    3   0.025878  -0.070559   0.059279
+    1SOL     O4    4  -0.195784   0.198973   0.024649
+    1SOL     H5    5  -0.129748   0.218202   0.091221
+    1SOL     H6    6  -0.162563   0.121313  -0.020380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/258/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069653   0.062913   0.018781
+    0SOL     H3    3  -0.042159  -0.067198  -0.053566
+    1SOL     O4    4  -0.184102   0.176339   0.077457
+    1SOL     H5    5  -0.245992   0.198370   0.007839
+    1SOL     H6    6  -0.148487   0.260653   0.105474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/259/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029578  -0.066297   0.062387
+    0SOL     H3    3  -0.089239   0.020847   0.027641
+    1SOL     O4    4   0.089826  -0.310842  -0.058089
+    1SOL     H5    5   0.150116  -0.265855  -0.117281
+    1SOL     H6    6   0.046240  -0.375908  -0.113126
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/260/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037997   0.045499   0.075155
+    0SOL     H3    3  -0.052416   0.066650  -0.044415
+    1SOL     O4    4   0.175575  -0.042752  -0.193795
+    1SOL     H5    5   0.113108  -0.104272  -0.232208
+    1SOL     H6    6   0.140503  -0.024190  -0.106688
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/261/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018718   0.083611   0.042675
+    0SOL     H3    3   0.069069  -0.058668   0.030821
+    1SOL     O4    4  -0.395908   0.081818  -0.080645
+    1SOL     H5    5  -0.366504   0.105091   0.007424
+    1SOL     H6    6  -0.462717   0.014706  -0.066687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/262/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064629  -0.048484  -0.051329
+    0SOL     H3    3  -0.060185   0.036078  -0.065104
+    1SOL     O4    4   0.029856   0.138195   0.230488
+    1SOL     H5    5   0.036818   0.089374   0.148449
+    1SOL     H6    6   0.108190   0.193171   0.232421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/263/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011897   0.061985   0.071963
+    0SOL     H3    3   0.038002   0.043957  -0.076065
+    1SOL     O4    4  -0.189222  -0.188893  -0.027458
+    1SOL     H5    5  -0.113931  -0.132468  -0.045059
+    1SOL     H6    6  -0.253239  -0.131192   0.014192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/264/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055800  -0.060776   0.048528
+    0SOL     H3    3   0.056775   0.035172  -0.068570
+    1SOL     O4    4  -0.291061  -0.121226   0.123722
+    1SOL     H5    5  -0.214580  -0.176297   0.140460
+    1SOL     H6    6  -0.271449  -0.077454   0.040886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/265/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006488   0.051521   0.080410
+    0SOL     H3    3  -0.080595  -0.050592   0.010351
+    1SOL     O4    4   0.057527   0.197878   0.176697
+    1SOL     H5    5   0.112091   0.244957   0.113699
+    1SOL     H6    6   0.021138   0.266353   0.232816
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/266/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077480   0.054481  -0.013819
+    0SOL     H3    3  -0.001790  -0.021029   0.093364
+    1SOL     O4    4  -0.118405  -0.046444   0.246219
+    1SOL     H5    5  -0.176824  -0.110795   0.206113
+    1SOL     H6    6  -0.072788  -0.094995   0.314952
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/267/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047334  -0.080426   0.021297
+    0SOL     H3    3  -0.056876   0.045612  -0.062023
+    1SOL     O4    4   0.135500   0.187566   0.134893
+    1SOL     H5    5   0.067958   0.129412   0.099983
+    1SOL     H6    6   0.181252   0.134688   0.200261
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/268/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083307   0.042098  -0.021213
+    0SOL     H3    3  -0.013809  -0.062918  -0.070802
+    1SOL     O4    4  -0.075640  -0.241086  -0.157798
+    1SOL     H5    5  -0.120942  -0.186358  -0.221946
+    1SOL     H6    6  -0.137632  -0.249451  -0.085345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/269/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085900  -0.042192  -0.001816
+    0SOL     H3    3  -0.062419  -0.072513  -0.002848
+    1SOL     O4    4   0.257716  -0.136107   0.006455
+    1SOL     H5    5   0.310367  -0.173403   0.077161
+    1SOL     H6    6   0.321298  -0.113373  -0.061389
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/270/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016553   0.062964   0.070170
+    0SOL     H3    3   0.047936   0.034739  -0.075217
+    1SOL     O4    4   0.134917   0.045070  -0.217812
+    1SOL     H5    5   0.098055   0.074659  -0.301046
+    1SOL     H6    6   0.182447   0.121073  -0.184244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/271/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033425  -0.008859   0.089256
+    0SOL     H3    3   0.063014   0.057330  -0.043644
+    1SOL     O4    4   0.097328  -0.010057   0.243338
+    1SOL     H5    5   0.098755   0.054962   0.313572
+    1SOL     H6    6   0.172603   0.012153   0.188541
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/272/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077017  -0.049481   0.027970
+    0SOL     H3    3  -0.000784   0.078557   0.054685
+    1SOL     O4    4   0.111053  -0.302545  -0.207336
+    1SOL     H5    5   0.070642  -0.238978  -0.266400
+    1SOL     H6    6   0.041523  -0.365668  -0.188807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/273/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030832   0.024159  -0.087339
+    0SOL     H3    3  -0.072660  -0.060221  -0.016006
+    1SOL     O4    4   0.206482  -0.189520   0.057323
+    1SOL     H5    5   0.184059  -0.234655  -0.024054
+    1SOL     H6    6   0.132092  -0.131620   0.073936
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/274/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075355   0.038685  -0.044580
+    0SOL     H3    3  -0.020953  -0.077916  -0.051502
+    1SOL     O4    4  -0.264105  -0.127768   0.195168
+    1SOL     H5    5  -0.299558  -0.089084   0.115112
+    1SOL     H6    6  -0.181568  -0.167870   0.167934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/275/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047724  -0.082974  -0.000190
+    0SOL     H3    3   0.061077   0.062727   0.038694
+    1SOL     O4    4   0.150314  -0.229500  -0.021746
+    1SOL     H5    5   0.177432  -0.282082   0.053500
+    1SOL     H6    6   0.105025  -0.291291  -0.079133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/276/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082833  -0.047749   0.004580
+    0SOL     H3    3   0.066456  -0.068146  -0.010103
+    1SOL     O4    4  -0.204182  -0.176227   0.041398
+    1SOL     H5    5  -0.268142  -0.171579   0.112460
+    1SOL     H6    6  -0.156000  -0.257306   0.057740
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/277/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093065  -0.021146  -0.007353
+    0SOL     H3    3  -0.012145   0.075295  -0.057840
+    1SOL     O4    4  -0.124498   0.221263  -0.115000
+    1SOL     H5    5  -0.182250   0.184267  -0.181771
+    1SOL     H6    6  -0.179863   0.229671  -0.037370
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/278/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069292   0.020604   0.062741
+    0SOL     H3    3   0.041401  -0.078881   0.035015
+    1SOL     O4    4   0.213888   0.151710  -0.070247
+    1SOL     H5    5   0.263433   0.078691  -0.033154
+    1SOL     H6    6   0.122597   0.131768  -0.049495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/279/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075316  -0.055189   0.021069
+    0SOL     H3    3  -0.049493   0.005294   0.081760
+    1SOL     O4    4  -0.090265   0.219605  -0.123896
+    1SOL     H5    5  -0.155049   0.249286  -0.059987
+    1SOL     H6    6  -0.043034   0.149294  -0.079310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/280/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024349   0.059596   0.070836
+    0SOL     H3    3   0.049916   0.030915  -0.075597
+    1SOL     O4    4  -0.100620   0.266948  -0.105716
+    1SOL     H5    5  -0.162797   0.329637  -0.142681
+    1SOL     H6    6  -0.147918   0.226167  -0.033175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/281/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082722  -0.005188  -0.047880
+    0SOL     H3    3  -0.038709   0.082982  -0.027892
+    1SOL     O4    4  -0.165379  -0.190625   0.068046
+    1SOL     H5    5  -0.110464  -0.246384   0.123161
+    1SOL     H6    6  -0.109094  -0.116682   0.045094
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/282/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015306  -0.038051  -0.086488
+    0SOL     H3    3  -0.078078   0.052625   0.017226
+    1SOL     O4    4  -0.065939  -0.067223  -0.260929
+    1SOL     H5    5  -0.011847  -0.092537  -0.335732
+    1SOL     H6    6  -0.115367   0.008762  -0.291677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/283/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079678   0.043211  -0.030765
+    0SOL     H3    3  -0.028346  -0.053617  -0.074054
+    1SOL     O4    4  -0.098365  -0.221189  -0.146677
+    1SOL     H5    5  -0.060135  -0.306191  -0.168482
+    1SOL     H6    6  -0.134478  -0.189199  -0.229350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/284/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038097  -0.029294   0.082781
+    0SOL     H3    3  -0.059655  -0.070475  -0.025234
+    1SOL     O4    4  -0.186402  -0.161951  -0.130707
+    1SOL     H5    5  -0.133741  -0.199124  -0.201469
+    1SOL     H6    6  -0.245491  -0.232742  -0.105029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/285/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072777   0.054373   0.030156
+    0SOL     H3    3   0.041624  -0.079542  -0.033209
+    1SOL     O4    4  -0.181880   0.004301   0.203614
+    1SOL     H5    5  -0.223876   0.080175   0.163096
+    1SOL     H6    6  -0.111880  -0.019661   0.142884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/286/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021572   0.058199  -0.072869
+    0SOL     H3    3  -0.077919  -0.054481   0.011079
+    1SOL     O4    4  -0.166036  -0.199116  -0.050200
+    1SOL     H5    5  -0.252002  -0.165386  -0.025010
+    1SOL     H6    6  -0.152076  -0.274472   0.007149
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/287/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023919   0.029362   0.087909
+    0SOL     H3    3  -0.069306  -0.061304  -0.024512
+    1SOL     O4    4  -0.124377   0.210765  -0.152687
+    1SOL     H5    5  -0.205207   0.235571  -0.107815
+    1SOL     H6    6  -0.084420   0.145125  -0.095615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/288/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071762  -0.052076   0.036065
+    0SOL     H3    3  -0.038844   0.043250   0.076046
+    1SOL     O4    4   0.245642   0.144438  -0.032599
+    1SOL     H5    5   0.295241   0.084855   0.023545
+    1SOL     H6    6   0.154166   0.119878  -0.018766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/289/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074743   0.002396  -0.059751
+    0SOL     H3    3  -0.058490   0.068699  -0.031965
+    1SOL     O4    4   0.031343  -0.201526   0.352662
+    1SOL     H5    5   0.035137  -0.275762   0.412968
+    1SOL     H6    6  -0.035266  -0.143740   0.389895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/290/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068145  -0.064647   0.018420
+    0SOL     H3    3  -0.081884  -0.049297   0.005209
+    1SOL     O4    4  -0.205730  -0.183395  -0.021558
+    1SOL     H5    5  -0.300002  -0.168089  -0.027948
+    1SOL     H6    6  -0.197350  -0.256111   0.040123
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/291/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005344   0.033197   0.089620
+    0SOL     H3    3   0.050441  -0.081338   0.001489
+    1SOL     O4    4   0.048748   0.105134   0.243877
+    1SOL     H5    5   0.093486   0.038366   0.295867
+    1SOL     H6    6   0.110926   0.177776   0.239479
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/292/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063838   0.023971   0.067174
+    0SOL     H3    3   0.058610  -0.061870   0.043581
+    1SOL     O4    4   0.225329   0.151001  -0.088423
+    1SOL     H5    5   0.144714   0.101376  -0.074248
+    1SOL     H6    6   0.224335   0.218335  -0.020398
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/293/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071805  -0.062745  -0.008335
+    0SOL     H3    3  -0.014170   0.032219  -0.089014
+    1SOL     O4    4   0.167443  -0.193857  -0.086462
+    1SOL     H5    5   0.227675  -0.169425  -0.156730
+    1SOL     H6    6   0.216391  -0.257029  -0.033778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/294/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017996  -0.025724   0.090425
+    0SOL     H3    3   0.083969   0.031952  -0.033025
+    1SOL     O4    4  -0.205426   0.169099  -0.064203
+    1SOL     H5    5  -0.197983   0.211109  -0.149890
+    1SOL     H6    6  -0.128524   0.112388  -0.058519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/295/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068496  -0.066860   0.000565
+    0SOL     H3    3  -0.011607   0.023245   0.092126
+    1SOL     O4    4  -0.184423  -0.188325  -0.020249
+    1SOL     H5    5  -0.271153  -0.156409   0.004683
+    1SOL     H6    6  -0.125989  -0.114301  -0.003870
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/296/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071138   0.025890  -0.058579
+    0SOL     H3    3   0.043448  -0.046855   0.071269
+    1SOL     O4    4  -0.182729   0.177377   0.062289
+    1SOL     H5    5  -0.190453   0.210682   0.151695
+    1SOL     H6    6  -0.097276   0.134309   0.060022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/297/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082768  -0.047919  -0.003953
+    0SOL     H3    3  -0.007191   0.042566  -0.085432
+    1SOL     O4    4  -0.070931  -0.264497   0.203827
+    1SOL     H5    5  -0.007430  -0.324879   0.165305
+    1SOL     H6    6  -0.122838  -0.233656   0.129552
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/298/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084456  -0.037568   0.024863
+    0SOL     H3    3  -0.059290  -0.075021  -0.004351
+    1SOL     O4    4   0.237547  -0.170359  -0.018886
+    1SOL     H5    5   0.249551  -0.199467   0.071507
+    1SOL     H6    6   0.275544  -0.082531  -0.021063
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/299/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092640   0.021305   0.011239
+    0SOL     H3    3   0.012288  -0.080734   0.049933
+    1SOL     O4    4  -0.196038  -0.065855  -0.275173
+    1SOL     H5    5  -0.125792  -0.000865  -0.277208
+    1SOL     H6    6  -0.254573  -0.035756  -0.205675
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/300/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063890   0.018880   0.068731
+    0SOL     H3    3  -0.047866  -0.053665  -0.063176
+    1SOL     O4    4  -0.057879  -0.140300  -0.233278
+    1SOL     H5    5  -0.083812  -0.097618  -0.314936
+    1SOL     H6    6   0.014000  -0.198343  -0.258312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/301/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087310  -0.039162   0.002383
+    0SOL     H3    3  -0.002664   0.068654   0.066647
+    1SOL     O4    4   0.016707  -0.092688   0.354261
+    1SOL     H5    5   0.099001  -0.043800   0.354186
+    1SOL     H6    6  -0.048706  -0.029613   0.324180
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/302/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056122  -0.073212  -0.025547
+    0SOL     H3    3   0.060828   0.067507   0.030084
+    1SOL     O4    4   0.233859  -0.142941  -0.049268
+    1SOL     H5    5   0.249904  -0.219822   0.005451
+    1SOL     H6    6   0.294296  -0.152811  -0.122836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/303/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051801  -0.062945   0.050169
+    0SOL     H3    3  -0.070035   0.026413   0.059664
+    1SOL     O4    4  -0.290360  -0.177374   0.054463
+    1SOL     H5    5  -0.212762  -0.232204   0.042863
+    1SOL     H6    6  -0.285179  -0.113166  -0.016339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/304/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085971   0.042077   0.000907
+    0SOL     H3    3  -0.059446   0.067569  -0.032602
+    1SOL     O4    4  -0.190132   0.161551  -0.094865
+    1SOL     H5    5  -0.189507   0.221035  -0.169856
+    1SOL     H6    6  -0.268186   0.107639  -0.107648
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/305/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.041465   0.079698  -0.033033
+    0SOL     H3    3  -0.072317  -0.061618   0.011653
+    1SOL     O4    4   0.067980   0.311342  -0.036291
+    1SOL     H5    5  -0.001926   0.309520   0.029070
+    1SOL     H6    6   0.028128   0.352619  -0.112909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/306/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047546  -0.034997  -0.075345
+    0SOL     H3    3   0.064423   0.053606   0.046243
+    1SOL     O4    4   0.131888   0.179895   0.156081
+    1SOL     H5    5   0.051035   0.211343   0.196530
+    1SOL     H6    6   0.177256   0.133221   0.226263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/307/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074009  -0.055346  -0.024935
+    0SOL     H3    3  -0.077156  -0.054104  -0.016793
+    1SOL     O4    4  -0.180376  -0.181335  -0.077675
+    1SOL     H5    5  -0.272509  -0.155958  -0.072197
+    1SOL     H6    6  -0.166528  -0.201610  -0.170192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/308/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035487   0.049540   0.073816
+    0SOL     H3    3   0.076865  -0.025109  -0.051221
+    1SOL     O4    4  -0.299518  -0.058221  -0.077696
+    1SOL     H5    5  -0.298189  -0.117669  -0.002686
+    1SOL     H6    6  -0.223699  -0.084026  -0.130116
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/309/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061351   0.041047  -0.060939
+    0SOL     H3    3  -0.050397  -0.060854  -0.054031
+    1SOL     O4    4  -0.124017  -0.271198   0.243442
+    1SOL     H5    5  -0.203668  -0.218220   0.246802
+    1SOL     H6    6  -0.054146  -0.211158   0.269434
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/310/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065324   0.069044  -0.011315
+    0SOL     H3    3   0.082576   0.046853   0.012182
+    1SOL     O4    4   0.121739  -0.083815  -0.294711
+    1SOL     H5    5   0.178446  -0.114535  -0.223980
+    1SOL     H6    6   0.062249  -0.021796  -0.252557
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/311/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070562   0.035185   0.054271
+    0SOL     H3    3  -0.015483   0.067572  -0.066005
+    1SOL     O4    4   0.186641   0.004573   0.223637
+    1SOL     H5    5   0.122899  -0.055240   0.262646
+    1SOL     H6    6   0.146295   0.091028   0.231385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/312/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064462   0.062024   0.034059
+    0SOL     H3    3   0.075321   0.009205   0.058347
+    1SOL     O4    4   0.199606   0.020158   0.203473
+    1SOL     H5    5   0.128220   0.006514   0.265765
+    1SOL     H6    6   0.244987  -0.064055   0.200156
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/313/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009353   0.092388  -0.023224
+    0SOL     H3    3   0.030861  -0.047400  -0.077222
+    1SOL     O4    4   0.050243  -0.168638   0.189903
+    1SOL     H5    5  -0.023756  -0.229346   0.190828
+    1SOL     H6    6   0.031997  -0.109673   0.116742
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/314/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070086  -0.061371   0.021997
+    0SOL     H3    3   0.039824   0.022125   0.084183
+    1SOL     O4    4  -0.216866  -0.159427   0.042795
+    1SOL     H5    5  -0.233067  -0.233657  -0.015426
+    1SOL     H6    6  -0.255540  -0.185580   0.126357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/315/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067327   0.067537  -0.008254
+    0SOL     H3    3  -0.081561   0.048722   0.011676
+    1SOL     O4    4  -0.076501  -0.103104  -0.222030
+    1SOL     H5    5  -0.027477  -0.069200  -0.147133
+    1SOL     H6    6  -0.010054  -0.143264  -0.278014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/316/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032487   0.064340   0.062986
+    0SOL     H3    3  -0.075533  -0.039870   0.043215
+    1SOL     O4    4   0.088742   0.217120   0.165624
+    1SOL     H5    5   0.056778   0.172410   0.243993
+    1SOL     H6    6   0.182516   0.228528   0.181068
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/317/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085678  -0.039489   0.016192
+    0SOL     H3    3  -0.004124   0.085049   0.043726
+    1SOL     O4    4   0.237457  -0.146548   0.071149
+    1SOL     H5    5   0.160638  -0.090450   0.081831
+    1SOL     H6    6   0.250633  -0.185881   0.157414
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/318/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078608  -0.052860   0.013747
+    0SOL     H3    3   0.013499   0.045063   0.083363
+    1SOL     O4    4  -0.194445  -0.198536  -0.046723
+    1SOL     H5    5  -0.278189  -0.152189  -0.045565
+    1SOL     H6    6  -0.173569  -0.208060  -0.139652
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/319/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081515  -0.048173  -0.014033
+    0SOL     H3    3   0.066296  -0.067993   0.012005
+    1SOL     O4    4   0.216751  -0.167542  -0.029764
+    1SOL     H5    5   0.200723  -0.198271  -0.118989
+    1SOL     H6    6   0.277021  -0.093915  -0.040202
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/320/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045509  -0.039874   0.074171
+    0SOL     H3    3  -0.022091  -0.073649  -0.057010
+    1SOL     O4    4   0.331236  -0.159948  -0.077484
+    1SOL     H5    5   0.402806  -0.190334  -0.133311
+    1SOL     H6    6   0.266483  -0.230353  -0.081029
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/321/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015178   0.019060  -0.092567
+    0SOL     H3    3   0.047954  -0.082841  -0.000104
+    1SOL     O4    4  -0.163252  -0.197930  -0.066822
+    1SOL     H5    5  -0.137542  -0.118757  -0.019567
+    1SOL     H6    6  -0.100872  -0.204021  -0.139168
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/322/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089128  -0.018841   0.029385
+    0SOL     H3    3   0.010130   0.071034  -0.063355
+    1SOL     O4    4  -0.022796  -0.111487  -0.379943
+    1SOL     H5    5  -0.048545  -0.155458  -0.460973
+    1SOL     H6    6  -0.099097  -0.058948  -0.355858
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/323/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085512  -0.042897   0.003152
+    0SOL     H3    3  -0.020170   0.093508  -0.003421
+    1SOL     O4    4   0.140199   0.005210   0.226689
+    1SOL     H5    5   0.059613   0.040591   0.264325
+    1SOL     H6    6   0.115239  -0.022938   0.138671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/324/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075065   0.054087   0.024540
+    0SOL     H3    3  -0.038601  -0.077685  -0.040463
+    1SOL     O4    4  -0.247079   0.156705   0.059017
+    1SOL     H5    5  -0.214061   0.246365   0.064788
+    1SOL     H6    6  -0.274837   0.147171  -0.032092
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/325/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042535   0.085714  -0.002491
+    0SOL     H3    3  -0.092544   0.019551   0.014685
+    1SOL     O4    4  -0.204701  -0.256275   0.192255
+    1SOL     H5    5  -0.243415  -0.169934   0.206707
+    1SOL     H6    6  -0.235659  -0.309080   0.265845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/326/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038580   0.020193   0.085242
+    0SOL     H3    3   0.089716   0.032847   0.005875
+    1SOL     O4    4   0.237321   0.117184   0.058861
+    1SOL     H5    5   0.196429   0.194331   0.098085
+    1SOL     H6    6   0.253600   0.058493   0.132703
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/327/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002415   0.057530  -0.076464
+    0SOL     H3    3   0.071477  -0.061029  -0.018132
+    1SOL     O4    4   0.294006   0.174563  -0.134680
+    1SOL     H5    5   0.336305   0.195736  -0.217895
+    1SOL     H6    6   0.243951   0.253090  -0.112537
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/328/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002022   0.091614   0.027660
+    0SOL     H3    3  -0.028848  -0.047894   0.077693
+    1SOL     O4    4   0.158176  -0.077841   0.264157
+    1SOL     H5    5   0.197199   0.002576   0.229912
+    1SOL     H6    6   0.179887  -0.144635   0.199122
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065652   0.065525  -0.023634
+    0SOL     H3    3  -0.028143  -0.037035  -0.083658
+    1SOL     O4    4   0.209370   0.156748  -0.082006
+    1SOL     H5    5   0.214234   0.223938  -0.014005
+    1SOL     H6    6   0.264358   0.085528  -0.049350
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/330/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055575  -0.060311  -0.049360
+    0SOL     H3    3   0.043906  -0.055277   0.064646
+    1SOL     O4    4   0.197832   0.207161   0.095123
+    1SOL     H5    5   0.149608   0.165526   0.166560
+    1SOL     H6    6   0.132871   0.261913   0.051025
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/331/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089478   0.031292   0.013296
+    0SOL     H3    3   0.010093  -0.081099  -0.049834
+    1SOL     O4    4  -0.013358  -0.218039  -0.168324
+    1SOL     H5    5  -0.063267  -0.193196  -0.246133
+    1SOL     H6    6   0.032878  -0.297842  -0.193937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/332/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083982  -0.045742  -0.004115
+    0SOL     H3    3   0.047422  -0.043236   0.071022
+    1SOL     O4    4  -0.264153  -0.103313  -0.002022
+    1SOL     H5    5  -0.244771  -0.171847  -0.065973
+    1SOL     H6    6  -0.256311  -0.146805   0.082885
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/333/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076630   0.039073  -0.041993
+    0SOL     H3    3   0.047580  -0.042299  -0.071479
+    1SOL     O4    4  -0.102040  -0.162674   0.197107
+    1SOL     H5    5  -0.077938  -0.087131   0.143491
+    1SOL     H6    6  -0.196760  -0.154816   0.208445
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/334/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033126  -0.088449   0.015548
+    0SOL     H3    3   0.034124   0.023588  -0.086264
+    1SOL     O4    4  -0.067768   0.027478   0.360293
+    1SOL     H5    5  -0.097922  -0.059878   0.385232
+    1SOL     H6    6  -0.096004   0.084040   0.432167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/335/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039233  -0.080867  -0.032917
+    0SOL     H3    3   0.007903  -0.006499   0.095171
+    1SOL     O4    4  -0.319819   0.139060   0.147086
+    1SOL     H5    5  -0.273507   0.202967   0.201247
+    1SOL     H6    6  -0.291581   0.054053   0.180831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/336/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052817   0.066025   0.044871
+    0SOL     H3    3  -0.040997   0.047243  -0.072454
+    1SOL     O4    4  -0.134481   0.129696  -0.210692
+    1SOL     H5    5  -0.146467   0.090109  -0.297015
+    1SOL     H6    6  -0.212396   0.183853  -0.198099
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/337/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063615  -0.050156   0.050989
+    0SOL     H3    3   0.051314   0.047310   0.065505
+    1SOL     O4    4   0.181337  -0.147475  -0.156451
+    1SOL     H5    5   0.212830  -0.083049  -0.219853
+    1SOL     H6    6   0.114715  -0.100860  -0.105945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/338/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048972   0.011464   0.081441
+    0SOL     H3    3  -0.057286   0.076551  -0.004535
+    1SOL     O4    4   0.176421  -0.078584  -0.217374
+    1SOL     H5    5   0.204101  -0.101792  -0.128731
+    1SOL     H6    6   0.114762  -0.006399  -0.205136
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/339/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065635  -0.069594  -0.003316
+    0SOL     H3    3   0.014029   0.042200   0.084762
+    1SOL     O4    4   0.167682   0.083384   0.202693
+    1SOL     H5    5   0.207649   0.166485   0.177017
+    1SOL     H6    6   0.225366   0.049087   0.270947
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/340/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056297   0.068081  -0.036850
+    0SOL     H3    3  -0.037495  -0.044023  -0.076279
+    1SOL     O4    4   0.140649  -0.180159  -0.229434
+    1SOL     H5    5   0.200761  -0.242775  -0.269783
+    1SOL     H6    6   0.059504  -0.189174  -0.279400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/341/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017722   0.078294  -0.052137
+    0SOL     H3    3  -0.078301  -0.054049  -0.010489
+    1SOL     O4    4  -0.181876  -0.069956   0.251717
+    1SOL     H5    5  -0.203963   0.013382   0.210133
+    1SOL     H6    6  -0.240982  -0.133408   0.211189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/342/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043548  -0.066037   0.053898
+    0SOL     H3    3  -0.062225   0.042139   0.059285
+    1SOL     O4    4  -0.079877  -0.151100  -0.194401
+    1SOL     H5    5  -0.055172  -0.081868  -0.133090
+    1SOL     H6    6  -0.093426  -0.105761  -0.277606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/343/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010150   0.093116  -0.019714
+    0SOL     H3    3  -0.054160  -0.014135   0.077648
+    1SOL     O4    4   0.239466  -0.097538   0.076735
+    1SOL     H5    5   0.151547  -0.066572   0.054970
+    1SOL     H6    6   0.292860  -0.073300   0.001078
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/344/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058081  -0.022131  -0.072795
+    0SOL     H3    3   0.027524   0.089943  -0.017748
+    1SOL     O4    4  -0.158832  -0.089409  -0.198443
+    1SOL     H5    5  -0.143713  -0.030431  -0.272303
+    1SOL     H6    6  -0.129468  -0.174994  -0.229672
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/345/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076632  -0.046805  -0.033153
+    0SOL     H3    3   0.024801   0.027071   0.088399
+    1SOL     O4    4  -0.027772  -0.010890  -0.327024
+    1SOL     H5    5  -0.030828  -0.097126  -0.285596
+    1SOL     H6    6  -0.112424  -0.002319  -0.370876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/346/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007305  -0.095021   0.008946
+    0SOL     H3    3  -0.063590   0.022676  -0.067856
+    1SOL     O4    4   0.200187  -0.238685   0.154685
+    1SOL     H5    5   0.267307  -0.171948   0.168945
+    1SOL     H6    6   0.240488  -0.320089   0.184877
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/347/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062236  -0.044746   0.057331
+    0SOL     H3    3  -0.013492   0.093056   0.017914
+    1SOL     O4    4   0.265868  -0.045769   0.010540
+    1SOL     H5    5   0.178353  -0.020827  -0.019148
+    1SOL     H6    6   0.305170  -0.089719  -0.064866
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/348/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018006  -0.052836   0.077759
+    0SOL     H3    3  -0.008425  -0.063747  -0.070906
+    1SOL     O4    4  -0.088013  -0.223006  -0.210294
+    1SOL     H5    5  -0.153913  -0.158841  -0.236800
+    1SOL     H6    6  -0.020636  -0.217606  -0.278069
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/349/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040435   0.027306  -0.082351
+    0SOL     H3    3  -0.019727  -0.093433   0.006600
+    1SOL     O4    4  -0.016227  -0.244456  -0.175193
+    1SOL     H5    5   0.058969  -0.272484  -0.123018
+    1SOL     H6    6  -0.080104  -0.315022  -0.165067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/350/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028443   0.004119   0.091304
+    0SOL     H3    3  -0.029871   0.082533  -0.038188
+    1SOL     O4    4  -0.240231  -0.154593   0.047932
+    1SOL     H5    5  -0.152536  -0.116827   0.054689
+    1SOL     H6    6  -0.255658  -0.162757  -0.046184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/351/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086572  -0.018363   0.036476
+    0SOL     H3    3   0.060669  -0.018544   0.071678
+    1SOL     O4    4   0.247271  -0.211385  -0.055580
+    1SOL     H5    5   0.277687  -0.120748  -0.060295
+    1SOL     H6    6   0.198339  -0.216037   0.026556
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/352/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062416  -0.037397   0.062193
+    0SOL     H3    3   0.049888   0.063543   0.051340
+    1SOL     O4    4   0.245319  -0.151013  -0.068487
+    1SOL     H5    5   0.288356  -0.077414  -0.024976
+    1SOL     H6    6   0.155168  -0.121687  -0.081719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/353/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041194  -0.076534  -0.040098
+    0SOL     H3    3  -0.026425   0.054590  -0.074054
+    1SOL     O4    4   0.117269  -0.221329  -0.052343
+    1SOL     H5    5   0.100287  -0.286899  -0.119977
+    1SOL     H6    6   0.118055  -0.270935   0.029516
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/354/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086512  -0.021279  -0.035002
+    0SOL     H3    3   0.014527   0.012827   0.093738
+    1SOL     O4    4  -0.002418  -0.225252  -0.229367
+    1SOL     H5    5  -0.015496  -0.303900  -0.282336
+    1SOL     H6    6   0.057682  -0.252687  -0.160102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/355/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018716  -0.064720  -0.067996
+    0SOL     H3    3  -0.031254   0.082813  -0.036436
+    1SOL     O4    4   0.207219  -0.066486   0.211186
+    1SOL     H5    5   0.149210  -0.045257   0.138066
+    1SOL     H6    6   0.294852  -0.044771   0.179385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/356/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066240   0.041083  -0.055558
+    0SOL     H3    3  -0.050242  -0.045768   0.067405
+    1SOL     O4    4   0.073994  -0.191157  -0.221926
+    1SOL     H5    5   0.042475  -0.102875  -0.241295
+    1SOL     H6    6   0.155276  -0.199111  -0.271848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/357/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024264  -0.012330   0.091769
+    0SOL     H3    3  -0.009325   0.094756  -0.009835
+    1SOL     O4    4   0.040566  -0.057327   0.261145
+    1SOL     H5    5   0.021648  -0.151156   0.261902
+    1SOL     H6    6   0.136134  -0.052101   0.262473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/358/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054682   0.071741  -0.032021
+    0SOL     H3    3   0.059254  -0.053705   0.052603
+    1SOL     O4    4  -0.243750   0.056002   0.084887
+    1SOL     H5    5  -0.151337   0.037263   0.068429
+    1SOL     H6    6  -0.268620   0.116965   0.015408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/359/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077951   0.017258   0.052803
+    0SOL     H3    3   0.027815  -0.087750   0.026239
+    1SOL     O4    4   0.078326  -0.222558   0.151149
+    1SOL     H5    5   0.144526  -0.280382   0.113251
+    1SOL     H6    6   0.062815  -0.257977   0.238712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/360/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017344   0.037450  -0.086365
+    0SOL     H3    3   0.080293  -0.050811  -0.011559
+    1SOL     O4    4  -0.118284   0.149516  -0.191192
+    1SOL     H5    5  -0.169738   0.213529  -0.142027
+    1SOL     H6    6  -0.052149   0.201697  -0.236642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/361/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.089437   0.031884   0.012117
+    0SOL     H3    3  -0.003204  -0.028336  -0.091374
+    1SOL     O4    4   0.249347   0.106382  -0.060790
+    1SOL     H5    5   0.237287   0.190969  -0.017639
+    1SOL     H6    6   0.223965   0.122009  -0.151751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/362/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025604  -0.059876  -0.070154
+    0SOL     H3    3   0.029085  -0.057246   0.070988
+    1SOL     O4    4  -0.113734  -0.198329  -0.172531
+    1SOL     H5    5  -0.170492  -0.172387  -0.245110
+    1SOL     H6    6  -0.116659  -0.294004  -0.172789
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/363/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030515   0.075313  -0.050588
+    0SOL     H3    3   0.078967  -0.051614   0.016201
+    1SOL     O4    4   0.236300   0.169218  -0.088805
+    1SOL     H5    5   0.243520   0.225745  -0.011896
+    1SOL     H6    6   0.149760   0.188623  -0.124812
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/364/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011893   0.044814  -0.083741
+    0SOL     H3    3   0.064378   0.053208   0.046763
+    1SOL     O4    4  -0.016914   0.276466   0.300330
+    1SOL     H5    5   0.050808   0.316593   0.354789
+    1SOL     H6    6   0.003837   0.183026   0.301194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/365/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011624   0.082613  -0.046928
+    0SOL     H3    3  -0.040621  -0.058446  -0.064002
+    1SOL     O4    4  -0.175649  -0.093484  -0.156818
+    1SOL     H5    5  -0.243326  -0.119774  -0.094441
+    1SOL     H6    6  -0.207437  -0.010908  -0.193330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/366/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078253  -0.051663   0.019228
+    0SOL     H3    3   0.072735  -0.060833   0.013091
+    1SOL     O4    4   0.017220   0.259061  -0.110755
+    1SOL     H5    5   0.009747   0.166864  -0.086135
+    1SOL     H6    6  -0.055312   0.273637  -0.171491
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/367/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063616   0.070319   0.013058
+    0SOL     H3    3  -0.045002  -0.062910  -0.056387
+    1SOL     O4    4  -0.021028   0.065912  -0.347092
+    1SOL     H5    5   0.032044  -0.007521  -0.316217
+    1SOL     H6    6  -0.110797   0.042022  -0.324004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/368/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031125  -0.044746   0.078685
+    0SOL     H3    3  -0.007858   0.093133   0.020659
+    1SOL     O4    4  -0.068405  -0.159792  -0.209438
+    1SOL     H5    5  -0.007360  -0.220798  -0.250841
+    1SOL     H6    6  -0.013258  -0.104563  -0.154023
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/369/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024942   0.029974   0.087417
+    0SOL     H3    3  -0.026613   0.071131  -0.058262
+    1SOL     O4    4  -0.130806  -0.261367  -0.022395
+    1SOL     H5    5  -0.102034  -0.171787  -0.004790
+    1SOL     H6    6  -0.201274  -0.251785  -0.086465
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/370/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005644   0.086202   0.041227
+    0SOL     H3    3  -0.087528  -0.037333   0.010359
+    1SOL     O4    4  -0.205012  -0.172045  -0.008499
+    1SOL     H5    5  -0.157957  -0.239631   0.040289
+    1SOL     H6    6  -0.278793  -0.148744   0.047854
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/371/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056482   0.068615  -0.035554
+    0SOL     H3    3  -0.056453  -0.077106   0.005488
+    1SOL     O4    4   0.105085   0.189527   0.165521
+    1SOL     H5    5   0.019426   0.228318   0.183412
+    1SOL     H6    6   0.087473   0.121293   0.100743
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/372/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082790   0.044134   0.018982
+    0SOL     H3    3   0.060206   0.070776  -0.022985
+    1SOL     O4    4   0.141185  -0.260328   0.163466
+    1SOL     H5    5   0.203203  -0.333139   0.159647
+    1SOL     H6    6   0.060429  -0.295603   0.126097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/373/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007479   0.071875  -0.062772
+    0SOL     H3    3   0.090304  -0.027477   0.015893
+    1SOL     O4    4  -0.086761  -0.136976  -0.271820
+    1SOL     H5    5  -0.115532  -0.113594  -0.360069
+    1SOL     H6    6  -0.132969  -0.075795  -0.214514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/374/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029324   0.087191   0.026461
+    0SOL     H3    3  -0.027188   0.010469  -0.091178
+    1SOL     O4    4  -0.281502  -0.036539  -0.001703
+    1SOL     H5    5  -0.336423  -0.076077   0.065993
+    1SOL     H6    6  -0.192513  -0.063835   0.020617
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/375/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089476  -0.033857   0.003188
+    0SOL     H3    3   0.048348  -0.054040   0.062486
+    1SOL     O4    4   0.230279   0.129485  -0.061182
+    1SOL     H5    5   0.151618   0.076496  -0.074106
+    1SOL     H6    6   0.212297   0.210969  -0.108079
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/376/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007361   0.061786  -0.072736
+    0SOL     H3    3   0.088320  -0.036033  -0.007964
+    1SOL     O4    4  -0.023005  -0.213654   0.244736
+    1SOL     H5    5   0.061188  -0.168129   0.245907
+    1SOL     H6    6  -0.051016  -0.214665   0.336260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/377/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066926  -0.006012  -0.068169
+    0SOL     H3    3   0.045065  -0.026271   0.080258
+    1SOL     O4    4   0.084297   0.333888  -0.065723
+    1SOL     H5    5   0.148327   0.401210  -0.088747
+    1SOL     H6    6   0.124095   0.286999   0.007624
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/378/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058191   0.074083   0.016966
+    0SOL     H3    3   0.022269  -0.063985   0.067618
+    1SOL     O4    4   0.107249   0.241893   0.048642
+    1SOL     H5    5   0.086817   0.309861  -0.015585
+    1SOL     H6    6   0.039428   0.250960   0.115579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/379/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070380  -0.022340   0.060910
+    0SOL     H3    3  -0.045086   0.033228  -0.077624
+    1SOL     O4    4   0.251776  -0.017222  -0.114973
+    1SOL     H5    5   0.318404   0.050913  -0.105993
+    1SOL     H6    6   0.174724   0.018604  -0.070908
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/380/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030487  -0.066464  -0.061769
+    0SOL     H3    3  -0.046783  -0.019453   0.081211
+    1SOL     O4    4   0.177279   0.153632  -0.206686
+    1SOL     H5    5   0.120013   0.138146  -0.131565
+    1SOL     H6    6   0.132456   0.111625  -0.280093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/381/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058129  -0.070257  -0.029109
+    0SOL     H3    3   0.039426   0.079854  -0.035088
+    1SOL     O4    4   0.162255  -0.215800  -0.062556
+    1SOL     H5    5   0.135513  -0.214848  -0.154459
+    1SOL     H6    6   0.102259  -0.277560  -0.020742
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/382/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028494  -0.069330  -0.059530
+    0SOL     H3    3   0.026648   0.071648  -0.057609
+    1SOL     O4    4  -0.125970  -0.208815  -0.125639
+    1SOL     H5    5  -0.141988  -0.303160  -0.123425
+    1SOL     H6    6  -0.060398  -0.197214  -0.194400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/383/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068447  -0.044179  -0.050255
+    0SOL     H3    3  -0.059646   0.034917  -0.066223
+    1SOL     O4    4  -0.138338  -0.228851   0.193686
+    1SOL     H5    5  -0.131068  -0.254923   0.285500
+    1SOL     H6    6  -0.049259  -0.236382   0.159474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/384/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023228   0.042007  -0.082814
+    0SOL     H3    3  -0.082275  -0.036929   0.032083
+    1SOL     O4    4  -0.243549  -0.165129   0.044029
+    1SOL     H5    5  -0.286516  -0.092522  -0.001187
+    1SOL     H6    6  -0.240690  -0.235466  -0.020831
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/385/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022121   0.077960   0.050943
+    0SOL     H3    3   0.040739  -0.059215   0.063216
+    1SOL     O4    4   0.118764  -0.170922   0.167269
+    1SOL     H5    5   0.174729  -0.120133   0.226011
+    1SOL     H6    6   0.178818  -0.230458   0.122422
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/386/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006825  -0.054168  -0.078623
+    0SOL     H3    3  -0.085932  -0.021268   0.036410
+    1SOL     O4    4   0.085705  -0.142857  -0.198114
+    1SOL     H5    5   0.180279  -0.133348  -0.209413
+    1SOL     H6    6   0.050828  -0.143485  -0.287251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/387/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034656  -0.010520  -0.088604
+    0SOL     H3    3   0.085389   0.041443  -0.012392
+    1SOL     O4    4  -0.090937   0.266434   0.040855
+    1SOL     H5    5  -0.184295   0.269559   0.019955
+    1SOL     H6    6  -0.064331   0.177225   0.018582
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/388/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035838  -0.002446   0.088724
+    0SOL     H3    3   0.046914  -0.082923  -0.009228
+    1SOL     O4    4  -0.243501  -0.152331  -0.103851
+    1SOL     H5    5  -0.322299  -0.147780  -0.158004
+    1SOL     H6    6  -0.204361  -0.065278  -0.111067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/389/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003198   0.092136   0.025750
+    0SOL     H3    3  -0.073306  -0.010528  -0.060644
+    1SOL     O4    4  -0.133208   0.167965  -0.217589
+    1SOL     H5    5  -0.059155   0.213965  -0.178061
+    1SOL     H6    6  -0.093239   0.097528  -0.268613
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/390/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000041  -0.040254  -0.086844
+    0SOL     H3    3  -0.002785   0.094125  -0.017176
+    1SOL     O4    4   0.201718  -0.180064   0.089876
+    1SOL     H5    5   0.144721  -0.243436   0.133438
+    1SOL     H6    6   0.142216  -0.112177   0.058048
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/391/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025187  -0.060258  -0.069978
+    0SOL     H3    3   0.023790  -0.056865   0.073230
+    1SOL     O4    4  -0.240760   0.127614   0.101118
+    1SOL     H5    5  -0.168038   0.065376   0.101683
+    1SOL     H6    6  -0.298658   0.097507   0.171144
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/392/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095415  -0.001783   0.007424
+    0SOL     H3    3   0.022611  -0.084398  -0.039090
+    1SOL     O4    4   0.088836  -0.223082  -0.135106
+    1SOL     H5    5   0.027884  -0.235591  -0.207843
+    1SOL     H6    6   0.110957  -0.311806  -0.106802
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/393/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063478  -0.070542   0.012519
+    0SOL     H3    3   0.041694   0.058928  -0.062860
+    1SOL     O4    4   0.033237   0.203931  -0.167796
+    1SOL     H5    5  -0.025203   0.278013  -0.151701
+    1SOL     H6    6   0.086524   0.231187  -0.242495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/394/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047776  -0.080338   0.020629
+    0SOL     H3    3   0.036535  -0.015500  -0.087105
+    1SOL     O4    4   0.190687   0.080705   0.149186
+    1SOL     H5    5   0.175564   0.154379   0.208397
+    1SOL     H6    6   0.106848   0.068007   0.104778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/395/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021662   0.030045   0.088263
+    0SOL     H3    3  -0.068602   0.037102  -0.055493
+    1SOL     O4    4  -0.019107   0.295688   0.225820
+    1SOL     H5    5  -0.079090   0.222106   0.238063
+    1SOL     H6    6  -0.063335   0.369839   0.267148
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/396/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080336  -0.028688  -0.043421
+    0SOL     H3    3   0.000807  -0.047747   0.082957
+    1SOL     O4    4  -0.011157  -0.123195   0.225288
+    1SOL     H5    5   0.063591  -0.175684   0.253926
+    1SOL     H6    6  -0.038129  -0.075139   0.303554
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/397/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058256  -0.047988   0.058870
+    0SOL     H3    3   0.050229   0.009578  -0.080918
+    1SOL     O4    4  -0.179618   0.196659   0.079946
+    1SOL     H5    5  -0.151133   0.251189   0.153276
+    1SOL     H6    6  -0.106208   0.137267   0.064269
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/398/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065433   0.059506   0.036606
+    0SOL     H3    3   0.073637   0.004867   0.060961
+    1SOL     O4    4   0.224848   0.005087   0.137668
+    1SOL     H5    5   0.278885  -0.061228   0.180618
+    1SOL     H6    6   0.230970   0.081683   0.194746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/399/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080486   0.033395  -0.039611
+    0SOL     H3    3  -0.013366   0.010705   0.094176
+    1SOL     O4    4   0.163458   0.179959  -0.140114
+    1SOL     H5    5   0.221692   0.130578  -0.197842
+    1SOL     H6    6   0.127631   0.114344  -0.080335
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/400/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052780  -0.075102  -0.027135
+    0SOL     H3    3  -0.026871   0.041345  -0.082042
+    1SOL     O4    4  -0.301569   0.033986   0.137666
+    1SOL     H5    5  -0.386609   0.030537   0.181468
+    1SOL     H6    6  -0.321123   0.066616   0.049829
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/401/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067934  -0.067342   0.003517
+    0SOL     H3    3   0.082034  -0.048065   0.011068
+    1SOL     O4    4  -0.222884  -0.205213  -0.026913
+    1SOL     H5    5  -0.231573  -0.152739  -0.106495
+    1SOL     H6    6  -0.256484  -0.148857   0.042781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/402/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008217  -0.068233   0.066626
+    0SOL     H3    3   0.069901  -0.019010  -0.062568
+    1SOL     O4    4   0.265142  -0.051970  -0.139550
+    1SOL     H5    5   0.252912   0.008805  -0.212483
+    1SOL     H6    6   0.341018  -0.104642  -0.164668
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/403/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065702  -0.061451  -0.032702
+    0SOL     H3    3  -0.003370  -0.009661   0.095171
+    1SOL     O4    4   0.029671   0.259496  -0.104461
+    1SOL     H5    5   0.060923   0.193185  -0.042909
+    1SOL     H6    6  -0.031763   0.212694  -0.161009
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/404/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048987   0.080738   0.015619
+    0SOL     H3    3  -0.089858   0.021177   0.025285
+    1SOL     O4    4   0.185398   0.188836   0.074497
+    1SOL     H5    5   0.201668   0.152750   0.161648
+    1SOL     H6    6   0.210586   0.280912   0.081562
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/405/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045573  -0.072375  -0.042979
+    0SOL     H3    3  -0.077555   0.015007  -0.054059
+    1SOL     O4    4  -0.016121   0.269946   0.058082
+    1SOL     H5    5   0.007434   0.177171   0.057579
+    1SOL     H6    6  -0.043030   0.287385   0.148271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/406/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057804   0.061564  -0.045066
+    0SOL     H3    3   0.035464  -0.055096  -0.069779
+    1SOL     O4    4   0.127178  -0.279976  -0.037119
+    1SOL     H5    5   0.072696  -0.278486  -0.115807
+    1SOL     H6    6   0.172899  -0.363973  -0.041171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/407/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048525  -0.049633  -0.065911
+    0SOL     H3    3   0.064754   0.019717   0.067679
+    1SOL     O4    4  -0.236468   0.105350   0.152026
+    1SOL     H5    5  -0.176500   0.078541   0.082403
+    1SOL     H6    6  -0.181267   0.112209   0.229925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/408/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071312   0.026885  -0.057915
+    0SOL     H3    3   0.078420   0.004774  -0.054680
+    1SOL     O4    4  -0.225258   0.116983  -0.105800
+    1SOL     H5    5  -0.252908   0.108989  -0.197090
+    1SOL     H6    6  -0.307023   0.119606  -0.056101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/409/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029354  -0.081840  -0.040037
+    0SOL     H3    3  -0.083924  -0.021853   0.040515
+    1SOL     O4    4  -0.008466   0.117395  -0.308437
+    1SOL     H5    5  -0.043897   0.045046  -0.256740
+    1SOL     H6    6  -0.085662   0.163087  -0.341833
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/410/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010723   0.069329   0.065122
+    0SOL     H3    3   0.087571  -0.037350  -0.009931
+    1SOL     O4    4  -0.218221  -0.158319   0.083724
+    1SOL     H5    5  -0.244355  -0.132326  -0.004614
+    1SOL     H6    6  -0.136389  -0.111196   0.099385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/411/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018953   0.002443  -0.093793
+    0SOL     H3    3  -0.017813   0.091125   0.023266
+    1SOL     O4    4   0.052138   0.004607  -0.266381
+    1SOL     H5    5   0.017722   0.052168  -0.341984
+    1SOL     H6    6   0.120555  -0.051712  -0.302571
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/412/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028080  -0.079975   0.044473
+    0SOL     H3    3   0.013592  -0.018211  -0.092983
+    1SOL     O4    4  -0.134245   0.273454   0.019936
+    1SOL     H5    5  -0.122917   0.368193   0.012275
+    1SOL     H6    6  -0.057448   0.236501  -0.023641
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/413/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013003   0.035950   0.087754
+    0SOL     H3    3   0.027344   0.074982  -0.052843
+    1SOL     O4    4   0.370644   0.004424   0.007539
+    1SOL     H5    5   0.326429  -0.008142  -0.076422
+    1SOL     H6    6   0.404768   0.093767   0.003557
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/414/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090025   0.006010  -0.031965
+    0SOL     H3    3   0.047146   0.067991  -0.048133
+    1SOL     O4    4  -0.015509  -0.064229   0.272950
+    1SOL     H5    5   0.007226  -0.045782   0.181818
+    1SOL     H6    6   0.026753   0.005673   0.322850
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/415/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013375  -0.046501  -0.082590
+    0SOL     H3    3  -0.033902   0.085681  -0.025918
+    1SOL     O4    4  -0.029185   0.085375   0.274722
+    1SOL     H5    5   0.000632   0.047912   0.191837
+    1SOL     H6    6  -0.094288   0.150830   0.249432
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/416/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081505  -0.004545   0.049985
+    0SOL     H3    3   0.025401  -0.022737  -0.089443
+    1SOL     O4    4  -0.126034   0.229688  -0.030896
+    1SOL     H5    5  -0.083568   0.143922  -0.032659
+    1SOL     H6    6  -0.054132   0.291839  -0.019505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/417/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091649  -0.015140  -0.023098
+    0SOL     H3    3  -0.003729   0.055947   0.077578
+    1SOL     O4    4  -0.329867  -0.156655   0.099163
+    1SOL     H5    5  -0.326895  -0.159110   0.194806
+    1SOL     H6    6  -0.376565  -0.236502   0.074546
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/418/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021133  -0.012663  -0.092495
+    0SOL     H3    3   0.045882  -0.080100   0.025319
+    1SOL     O4    4  -0.011580  -0.078787  -0.274545
+    1SOL     H5    5   0.080459  -0.101822  -0.287214
+    1SOL     H6    6  -0.030318  -0.015703  -0.344055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/419/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039117   0.087317  -0.002807
+    0SOL     H3    3  -0.019278  -0.032113   0.088087
+    1SOL     O4    4  -0.058875   0.254475  -0.108709
+    1SOL     H5    5   0.004884   0.317241  -0.074686
+    1SOL     H6    6  -0.031355   0.238891  -0.199053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/000/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023336   0.061909  -0.069174
+    0SOL     H3    3   0.095495  -0.005354  -0.003799
+    1SOL     O4    4   0.265451  -0.015561   0.000046
+    1SOL     H5    5   0.283407  -0.108363  -0.015044
+    1SOL     H6    6   0.322664   0.030270  -0.061505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/001/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021536   0.083651   0.041243
+    0SOL     H3    3   0.059784  -0.006119  -0.074504
+    1SOL     O4    4  -0.266676  -0.005094  -0.016355
+    1SOL     H5    5  -0.289737   0.069853   0.038540
+    1SOL     H6    6  -0.170972  -0.006719  -0.015781
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/002/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042130   0.011851  -0.085129
+    0SOL     H3    3  -0.093105  -0.008950  -0.020338
+    1SOL     O4    4   0.336068  -0.010691  -0.013283
+    1SOL     H5    5   0.309400  -0.096941   0.018531
+    1SOL     H6    6   0.298164  -0.004683  -0.100973
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/003/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094175   0.012646   0.011556
+    0SOL     H3    3  -0.033756  -0.011453   0.088835
+    1SOL     O4    4  -0.040314   0.309793   0.138993
+    1SOL     H5    5  -0.004904   0.235926   0.188512
+    1SOL     H6    6   0.014657   0.314821   0.060794
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/004/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025873   0.086330  -0.032251
+    0SOL     H3    3   0.095383  -0.000999  -0.007967
+    1SOL     O4    4  -0.169368  -0.183199  -0.150387
+    1SOL     H5    5  -0.104670  -0.146776  -0.089973
+    1SOL     H6    6  -0.251652  -0.140942  -0.125769
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/005/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093116   0.021916   0.003383
+    0SOL     H3    3   0.022969   0.007077  -0.092653
+    1SOL     O4    4   0.170457  -0.187371   0.137014
+    1SOL     H5    5   0.096658  -0.161169   0.081973
+    1SOL     H6    6   0.159392  -0.136920   0.217603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/006/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003139  -0.040916   0.086477
+    0SOL     H3    3  -0.080937  -0.028000  -0.042749
+    1SOL     O4    4   0.172518  -0.190374  -0.163222
+    1SOL     H5    5   0.120721  -0.112193  -0.144060
+    1SOL     H6    6   0.135274  -0.258232  -0.106914
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/007/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010790  -0.094875  -0.006686
+    0SOL     H3    3   0.063749   0.035816  -0.061771
+    1SOL     O4    4  -0.140996  -0.152700   0.274672
+    1SOL     H5    5  -0.151553  -0.241533   0.240620
+    1SOL     H6    6  -0.047937  -0.146112   0.296095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/008/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074701  -0.051109  -0.031144
+    0SOL     H3    3   0.017357  -0.033930   0.087806
+    1SOL     O4    4   0.011855   0.286199  -0.012649
+    1SOL     H5    5   0.082086   0.309009  -0.073555
+    1SOL     H6    6   0.006058   0.190771  -0.017357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/009/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011688   0.081508   0.048807
+    0SOL     H3    3   0.094831  -0.008900  -0.009494
+    1SOL     O4    4  -0.155348   0.168687   0.132567
+    1SOL     H5    5  -0.232294   0.128103   0.092634
+    1SOL     H6    6  -0.153848   0.134491   0.221957
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/010/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070348   0.046147  -0.045650
+    0SOL     H3    3   0.020654   0.055846   0.074946
+    1SOL     O4    4  -0.181298   0.149683  -0.142352
+    1SOL     H5    5  -0.140938   0.230349  -0.110315
+    1SOL     H6    6  -0.147254   0.139470  -0.231229
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/011/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031280   0.073110   0.053280
+    0SOL     H3    3  -0.035155  -0.077889   0.043125
+    1SOL     O4    4  -0.150432  -0.180385   0.142028
+    1SOL     H5    5  -0.152481  -0.151841   0.233370
+    1SOL     H6    6  -0.222149  -0.132621   0.100344
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/012/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089522  -0.030569   0.014619
+    0SOL     H3    3   0.035337   0.013698   0.087898
+    1SOL     O4    4  -0.287752   0.014774   0.004666
+    1SOL     H5    5  -0.334389   0.080909  -0.046456
+    1SOL     H6    6  -0.313963  -0.068608  -0.034357
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/013/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093148   0.019211  -0.010808
+    0SOL     H3    3   0.036981   0.010412  -0.087672
+    1SOL     O4    4   0.184535  -0.168667   0.147290
+    1SOL     H5    5   0.100731  -0.143478   0.108500
+    1SOL     H6    6   0.172885  -0.260370   0.172132
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/014/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005150  -0.095146  -0.009108
+    0SOL     H3    3   0.022899   0.033675  -0.086625
+    1SOL     O4    4  -0.139545  -0.165955   0.311607
+    1SOL     H5    5  -0.190311  -0.234249   0.355435
+    1SOL     H6    6  -0.165002  -0.172464   0.219564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/015/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018075  -0.093801   0.006078
+    0SOL     H3    3  -0.001923   0.030733   0.090632
+    1SOL     O4    4  -0.133050  -0.152693   0.293992
+    1SOL     H5    5  -0.165299  -0.077763   0.243913
+    1SOL     H6    6  -0.185682  -0.152569   0.373942
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/016/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074031   0.044725   0.041005
+    0SOL     H3    3   0.012271  -0.092241   0.022434
+    1SOL     O4    4  -0.167320   0.178964   0.133178
+    1SOL     H5    5  -0.117509   0.103888   0.100854
+    1SOL     H6    6  -0.127045   0.254627   0.090570
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/017/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093800  -0.002382   0.018924
+    0SOL     H3    3   0.041958  -0.015405   0.084644
+    1SOL     O4    4  -0.136682   0.137541   0.268654
+    1SOL     H5    5  -0.054506   0.173933   0.235716
+    1SOL     H6    6  -0.120312   0.043465   0.275296
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/018/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077099   0.012211  -0.055398
+    0SOL     H3    3  -0.003289  -0.094298   0.016103
+    1SOL     O4    4   0.135985  -0.153152   0.268544
+    1SOL     H5    5   0.157803  -0.228528   0.213728
+    1SOL     H6    6   0.042136  -0.140024   0.255044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/019/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033515  -0.070205  -0.055770
+    0SOL     H3    3   0.095040  -0.011257  -0.001755
+    1SOL     O4    4   0.114916  -0.154400   0.306883
+    1SOL     H5    5   0.044487  -0.171686   0.244406
+    1SOL     H6    6   0.085969  -0.196371   0.387894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/020/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018306  -0.075207   0.056312
+    0SOL     H3    3  -0.090194  -0.013260  -0.029182
+    1SOL     O4    4  -0.154659   0.108493   0.249776
+    1SOL     H5    5  -0.075643   0.138218   0.294888
+    1SOL     H6    6  -0.226649   0.148300   0.298717
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/021/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064834   0.036830  -0.060020
+    0SOL     H3    3   0.016189   0.044604   0.083131
+    1SOL     O4    4   0.143054   0.170290  -0.170382
+    1SOL     H5    5   0.237296   0.187045  -0.170815
+    1SOL     H6    6   0.118194   0.170632  -0.262817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/022/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019679   0.083833  -0.041798
+    0SOL     H3    3   0.036756   0.007861   0.088032
+    1SOL     O4    4  -0.256842   0.019808   0.003572
+    1SOL     H5    5  -0.311290  -0.034021  -0.053876
+    1SOL     H6    6  -0.167076  -0.006093  -0.017250
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/023/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035753  -0.055039   0.069676
+    0SOL     H3    3   0.094732  -0.012408   0.005839
+    1SOL     O4    4   0.285662  -0.008092   0.035851
+    1SOL     H5    5   0.330330  -0.084436   0.072437
+    1SOL     H6    6   0.311387   0.064369   0.092860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/024/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043540  -0.056386  -0.063931
+    0SOL     H3    3  -0.056187  -0.003640   0.077408
+    1SOL     O4    4   0.285657   0.004534   0.014386
+    1SOL     H5    5   0.329079  -0.057695  -0.043960
+    1SOL     H6    6   0.192417  -0.015135   0.005345
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/025/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083557  -0.027702  -0.037591
+    0SOL     H3    3   0.013901   0.091450   0.024616
+    1SOL     O4    4  -0.169847  -0.164432  -0.113183
+    1SOL     H5    5  -0.137676  -0.252252  -0.092813
+    1SOL     H6    6  -0.116033  -0.106138  -0.059628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/026/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001737  -0.048837   0.082306
+    0SOL     H3    3  -0.067279  -0.041518  -0.053965
+    1SOL     O4    4   0.167129  -0.145081  -0.122015
+    1SOL     H5    5   0.128969  -0.072504  -0.072631
+    1SOL     H6    6   0.128226  -0.223514  -0.083323
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/027/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033106   0.073470  -0.051658
+    0SOL     H3    3  -0.042615  -0.076975  -0.037697
+    1SOL     O4    4   0.292107   0.025163  -0.017608
+    1SOL     H5    5   0.331379   0.107106  -0.047698
+    1SOL     H6    6   0.205126   0.050240   0.013501
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/028/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034814  -0.076013   0.046608
+    0SOL     H3    3  -0.091726   0.004735   0.026949
+    1SOL     O4    4   0.156540   0.185721   0.110383
+    1SOL     H5    5   0.100641   0.129032   0.057241
+    1SOL     H6    6   0.157174   0.144594   0.196815
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/029/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066382  -0.052838  -0.044316
+    0SOL     H3    3  -0.007218  -0.024768   0.092178
+    1SOL     O4    4   0.173732  -0.158705  -0.154052
+    1SOL     H5    5   0.139917  -0.085880  -0.101942
+    1SOL     H6    6   0.268142  -0.143469  -0.158162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/030/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062585   0.016241  -0.070581
+    0SOL     H3    3  -0.014772  -0.094545  -0.002307
+    1SOL     O4    4  -0.001731  -0.271460   0.002363
+    1SOL     H5    5   0.045797  -0.319701  -0.065285
+    1SOL     H6    6   0.002112  -0.328114   0.079421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/031/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075393  -0.040502  -0.042870
+    0SOL     H3    3   0.075976  -0.038201  -0.043939
+    1SOL     O4    4   0.177239  -0.176585  -0.129132
+    1SOL     H5    5   0.268837  -0.204119  -0.132876
+    1SOL     H6    6   0.145762  -0.185640  -0.219074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/032/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068646  -0.010847   0.065821
+    0SOL     H3    3   0.021355  -0.064163  -0.067745
+    1SOL     O4    4  -0.151367  -0.010200   0.217586
+    1SOL     H5    5  -0.103870  -0.076002   0.268345
+    1SOL     H6    6  -0.123043  -0.024507   0.127279
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/033/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067893  -0.052348  -0.042575
+    0SOL     H3    3   0.077015  -0.010580  -0.055849
+    1SOL     O4    4   0.127888   0.171660   0.276535
+    1SOL     H5    5   0.138183   0.256285   0.233005
+    1SOL     H6    6   0.033186   0.159719   0.283694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/034/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031775   0.076914  -0.047295
+    0SOL     H3    3   0.049626  -0.000038   0.081851
+    1SOL     O4    4  -0.271595  -0.020795  -0.025024
+    1SOL     H5    5  -0.297598   0.070751  -0.035302
+    1SOL     H6    6  -0.175898  -0.018742  -0.025346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/035/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012593  -0.040697   0.085718
+    0SOL     H3    3  -0.075693  -0.028249  -0.051331
+    1SOL     O4    4  -0.000791   0.255881   0.009246
+    1SOL     H5    5   0.071972   0.290211  -0.042613
+    1SOL     H6    6   0.015148   0.161593   0.013489
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/036/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079383   0.031526  -0.043206
+    0SOL     H3    3  -0.070570   0.051833  -0.038672
+    1SOL     O4    4   0.129840  -0.150901  -0.321761
+    1SOL     H5    5   0.183240  -0.144528  -0.242577
+    1SOL     H6    6   0.157291  -0.076438  -0.375277
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/037/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024920   0.092319   0.004299
+    0SOL     H3    3   0.024441  -0.035461   0.085484
+    1SOL     O4    4   0.178738  -0.167945  -0.109689
+    1SOL     H5    5   0.155461  -0.104902  -0.041526
+    1SOL     H6    6   0.274380  -0.165697  -0.112808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/038/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032156   0.079387  -0.042732
+    0SOL     H3    3   0.095325   0.008294  -0.002567
+    1SOL     O4    4  -0.018320  -0.290484   0.146914
+    1SOL     H5    5  -0.001646  -0.372558   0.193260
+    1SOL     H6    6   0.017681  -0.222809   0.204241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/039/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042734  -0.020411  -0.083184
+    0SOL     H3    3  -0.092373  -0.020200  -0.014882
+    1SOL     O4    4   0.195706   0.181854   0.113871
+    1SOL     H5    5   0.106024   0.162673   0.086456
+    1SOL     H6    6   0.250468   0.130763   0.054263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/040/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031961  -0.005237   0.090074
+    0SOL     H3    3  -0.033144  -0.079434  -0.041882
+    1SOL     O4    4  -0.174507  -0.158458  -0.129238
+    1SOL     H5    5  -0.157738  -0.246184  -0.163665
+    1SOL     H6    6  -0.178521  -0.102581  -0.206852
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/041/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066314   0.028967   0.062656
+    0SOL     H3    3   0.008322  -0.095347  -0.001390
+    1SOL     O4    4  -0.131162  -0.128260   0.305911
+    1SOL     H5    5  -0.182973  -0.198648   0.344942
+    1SOL     H6    6  -0.160447  -0.124560   0.214855
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/042/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035468   0.071978  -0.052188
+    0SOL     H3    3  -0.094579   0.014736   0.000064
+    1SOL     O4    4  -0.120230  -0.174374  -0.295179
+    1SOL     H5    5  -0.053809  -0.214650  -0.351112
+    1SOL     H6    6  -0.111765  -0.080467  -0.311678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/043/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030148   0.084025  -0.034542
+    0SOL     H3    3  -0.043318  -0.065420  -0.054828
+    1SOL     O4    4  -0.159459  -0.181068  -0.145571
+    1SOL     H5    5  -0.164979  -0.276372  -0.152565
+    1SOL     H6    6  -0.160714  -0.150242  -0.236183
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/044/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083321  -0.005651   0.046776
+    0SOL     H3    3  -0.009133   0.092796  -0.021631
+    1SOL     O4    4  -0.204956  -0.157388   0.149352
+    1SOL     H5    5  -0.183473  -0.248187   0.127987
+    1SOL     H6    6  -0.141626  -0.105449   0.099816
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/045/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057174  -0.066642   0.038110
+    0SOL     H3    3   0.028432   0.081977   0.040419
+    1SOL     O4    4  -0.119884   0.337414   0.040648
+    1SOL     H5    5  -0.191802   0.335052  -0.022476
+    1SOL     H6    6  -0.139188   0.266259   0.101694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/046/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052371   0.056586  -0.056724
+    0SOL     H3    3   0.013461  -0.088089  -0.034950
+    1SOL     O4    4   0.003645  -0.259811  -0.016011
+    1SOL     H5    5   0.075563  -0.299446  -0.065195
+    1SOL     H6    6   0.010615  -0.297858   0.071546
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/047/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060487   0.055724   0.048975
+    0SOL     H3    3  -0.015688  -0.088105   0.033965
+    1SOL     O4    4  -0.158284  -0.205503   0.166582
+    1SOL     H5    5  -0.141658  -0.297935   0.185079
+    1SOL     H6    6  -0.153248  -0.162647   0.252024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/048/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028049  -0.073721   0.054229
+    0SOL     H3    3   0.057187   0.072163   0.026162
+    1SOL     O4    4   0.180975   0.156996   0.164736
+    1SOL     H5    5   0.247148   0.125668   0.103077
+    1SOL     H6    6   0.177779   0.251597   0.150497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/049/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060325  -0.039692  -0.062831
+    0SOL     H3    3  -0.008324   0.094179  -0.014943
+    1SOL     O4    4  -0.140990   0.118313   0.291851
+    1SOL     H5    5  -0.189129   0.179896   0.236601
+    1SOL     H6    6  -0.186439   0.121024   0.376049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/050/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094492   0.015187   0.001709
+    0SOL     H3    3  -0.028237   0.014265   0.090341
+    1SOL     O4    4  -0.200568   0.154378  -0.121142
+    1SOL     H5    5  -0.124601   0.125520  -0.070560
+    1SOL     H6    6  -0.197517   0.101853  -0.201106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/051/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086401  -0.005975  -0.040761
+    0SOL     H3    3   0.007764  -0.051433   0.080353
+    1SOL     O4    4   0.296403  -0.087181   0.047763
+    1SOL     H5    5   0.370464  -0.114562  -0.006345
+    1SOL     H6    6   0.306248   0.007702   0.055678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/052/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057795  -0.066867  -0.036754
+    0SOL     H3    3   0.031409   0.082203  -0.037662
+    1SOL     O4    4   0.022195   0.323691   0.157751
+    1SOL     H5    5  -0.005761   0.413549   0.175251
+    1SOL     H6    6  -0.014277   0.272694   0.230080
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/053/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033506  -0.089654   0.001378
+    0SOL     H3    3  -0.071113   0.052758   0.036358
+    1SOL     O4    4  -0.190629   0.152294   0.134992
+    1SOL     H5    5  -0.177294   0.228257   0.078298
+    1SOL     H6    6  -0.285436   0.148008   0.147467
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/054/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077286  -0.020522  -0.052612
+    0SOL     H3    3  -0.006989   0.095388  -0.003812
+    1SOL     O4    4  -0.011496   0.275795  -0.029477
+    1SOL     H5    5   0.059234   0.327008  -0.068679
+    1SOL     H6    6  -0.091652   0.318439  -0.059789
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/055/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077469  -0.041204  -0.038251
+    0SOL     H3    3  -0.021855  -0.055106   0.075153
+    1SOL     O4    4   0.005253   0.265931  -0.018969
+    1SOL     H5    5   0.015696   0.171395  -0.008193
+    1SOL     H6    6   0.051042   0.303840   0.056055
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/056/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031565  -0.071935  -0.054693
+    0SOL     H3    3  -0.094516   0.001878  -0.015016
+    1SOL     O4    4  -0.277006   0.005326   0.003438
+    1SOL     H5    5  -0.308927   0.093752  -0.014570
+    1SOL     H6    6  -0.337587  -0.052070  -0.043445
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/057/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042053  -0.058361  -0.063149
+    0SOL     H3    3  -0.044215  -0.018446   0.082868
+    1SOL     O4    4  -0.169071   0.192266  -0.140014
+    1SOL     H5    5  -0.166127   0.287869  -0.136293
+    1SOL     H6    6  -0.131718   0.163841  -0.056593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/058/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021439  -0.044763   0.081847
+    0SOL     H3    3  -0.095640   0.003811  -0.000930
+    1SOL     O4    4   0.041732   0.274960  -0.143817
+    1SOL     H5    5   0.005888   0.339245  -0.205013
+    1SOL     H6    6   0.007150   0.191032  -0.174188
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/059/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039016   0.075440  -0.044146
+    0SOL     H3    3   0.041948  -0.001807   0.086020
+    1SOL     O4    4  -0.141572   0.127074   0.269491
+    1SOL     H5    5  -0.061576   0.162257   0.230438
+    1SOL     H6    6  -0.212512   0.170537   0.222153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/060/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005772  -0.081745   0.049465
+    0SOL     H3    3   0.008387   0.067973   0.066870
+    1SOL     O4    4  -0.152822   0.007399  -0.229819
+    1SOL     H5    5  -0.245367  -0.004310  -0.208356
+    1SOL     H6    6  -0.108680   0.010296  -0.144935
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/061/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083998  -0.037077   0.027054
+    0SOL     H3    3   0.012894   0.094722   0.004873
+    1SOL     O4    4  -0.159095  -0.191157   0.126765
+    1SOL     H5    5  -0.123362  -0.114048   0.082723
+    1SOL     H6    6  -0.252864  -0.173351   0.134020
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/062/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019326   0.087324   0.034107
+    0SOL     H3    3  -0.095599  -0.004371  -0.001989
+    1SOL     O4    4   0.184243  -0.165564   0.113345
+    1SOL     H5    5   0.259095  -0.117889   0.077476
+    1SOL     H6    6   0.108290  -0.127987   0.068833
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/063/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066811  -0.010335   0.067763
+    0SOL     H3    3  -0.026056   0.078876  -0.047560
+    1SOL     O4    4  -0.174762  -0.000254   0.216795
+    1SOL     H5    5  -0.134362   0.070828   0.266570
+    1SOL     H6    6  -0.268885   0.014827   0.225502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/064/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094027  -0.003743  -0.017528
+    0SOL     H3    3   0.040515   0.001972  -0.086700
+    1SOL     O4    4   0.156624   0.152941   0.147823
+    1SOL     H5    5   0.238918   0.136650   0.101731
+    1SOL     H6    6   0.094366   0.092104   0.108007
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/065/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050367   0.070492  -0.040698
+    0SOL     H3    3   0.034010  -0.005322   0.089316
+    1SOL     O4    4   0.178197   0.020887   0.230467
+    1SOL     H5    5   0.249719   0.002172   0.169667
+    1SOL     H6    6   0.178308  -0.053130   0.291162
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/066/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073580  -0.052806   0.030981
+    0SOL     H3    3   0.077253  -0.053564   0.018031
+    1SOL     O4    4   0.169448  -0.183848   0.134814
+    1SOL     H5    5   0.122764  -0.177192   0.218112
+    1SOL     H6    6   0.118427  -0.246637   0.083660
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/067/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071041  -0.035268   0.053588
+    0SOL     H3    3  -0.015554  -0.067137  -0.066431
+    1SOL     O4    4   0.156131  -0.014376   0.221689
+    1SOL     H5    5   0.133413   0.069879   0.261025
+    1SOL     H6    6   0.248432  -0.005640   0.197887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/068/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043466   0.062923  -0.057565
+    0SOL     H3    3   0.065249  -0.020244   0.067046
+    1SOL     O4    4   0.180975   0.013570   0.217914
+    1SOL     H5    5   0.255169   0.021538   0.157963
+    1SOL     H6    6   0.193228  -0.071478   0.260093
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/069/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074900  -0.012737   0.058224
+    0SOL     H3    3  -0.005665  -0.072239  -0.062544
+    1SOL     O4    4  -0.160771  -0.297693   0.054527
+    1SOL     H5    5  -0.192521  -0.379548   0.016394
+    1SOL     H6    6  -0.065728  -0.308342   0.058491
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/070/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083202   0.000284   0.047325
+    0SOL     H3    3  -0.005336   0.075671  -0.058376
+    1SOL     O4    4  -0.153971   0.034072   0.221019
+    1SOL     H5    5  -0.117851  -0.045018   0.261050
+    1SOL     H6    6  -0.097708   0.104786   0.252582
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/071/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024196  -0.068549   0.062273
+    0SOL     H3    3   0.000588   0.080609   0.051616
+    1SOL     O4    4   0.193176  -0.008902  -0.195064
+    1SOL     H5    5   0.286567  -0.019305  -0.176833
+    1SOL     H6    6   0.152195  -0.004579  -0.108668
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/072/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028596  -0.091191   0.005372
+    0SOL     H3    3  -0.001332   0.030944   0.090570
+    1SOL     O4    4  -0.032253   0.345622   0.017375
+    1SOL     H5    5   0.043487   0.302711  -0.022430
+    1SOL     H6    6  -0.034057   0.312635   0.107213
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/073/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069500  -0.011648  -0.064780
+    0SOL     H3    3  -0.026690   0.091420  -0.009611
+    1SOL     O4    4  -0.164175  -0.183269  -0.140597
+    1SOL     H5    5  -0.104401  -0.237506  -0.089141
+    1SOL     H6    6  -0.154005  -0.095280  -0.104308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/074/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081363  -0.024740   0.043935
+    0SOL     H3    3   0.001281   0.095630   0.003936
+    1SOL     O4    4   0.016021  -0.167046  -0.222462
+    1SOL     H5    5   0.024724  -0.229203  -0.150191
+    1SOL     H6    6   0.000947  -0.082665  -0.179860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/075/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078600  -0.032399   0.043986
+    0SOL     H3    3   0.014870   0.094080  -0.009500
+    1SOL     O4    4   0.166589  -0.206835   0.123401
+    1SOL     H5    5   0.129947  -0.256734   0.050396
+    1SOL     H6    6   0.261085  -0.220623   0.116862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/076/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022815  -0.018471  -0.091108
+    0SOL     H3    3  -0.095592  -0.004448   0.002177
+    1SOL     O4    4  -0.124271   0.278940   0.072762
+    1SOL     H5    5  -0.118509   0.213402   0.142288
+    1SOL     H6    6  -0.047681   0.262401   0.017782
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/077/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087895   0.035082  -0.014356
+    0SOL     H3    3   0.018556   0.018670   0.092030
+    1SOL     O4    4   0.165056   0.177678  -0.192801
+    1SOL     H5    5   0.087424   0.148004  -0.145314
+    1SOL     H6    6   0.161471   0.130926  -0.276250
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/078/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076043   0.021497   0.054016
+    0SOL     H3    3  -0.009680   0.074960  -0.058733
+    1SOL     O4    4  -0.149816   0.016060   0.210597
+    1SOL     H5    5  -0.106103   0.096407   0.238807
+    1SOL     H6    6  -0.113193  -0.002064   0.124037
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/079/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095656  -0.002195   0.002739
+    0SOL     H3    3   0.020647   0.071219  -0.060530
+    1SOL     O4    4  -0.149094  -0.096745   0.288478
+    1SOL     H5    5  -0.230240  -0.110152   0.239509
+    1SOL     H6    6  -0.134937  -0.002110   0.286019
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/080/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075313   0.022469   0.054639
+    0SOL     H3    3  -0.016938   0.043807  -0.083405
+    1SOL     O4    4   0.008748  -0.272771  -0.006617
+    1SOL     H5    5   0.086199  -0.284452   0.048403
+    1SOL     H6    6   0.008253  -0.179439  -0.027857
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/081/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067903  -0.027736  -0.061500
+    0SOL     H3    3  -0.012372  -0.075376   0.057686
+    1SOL     O4    4  -0.166665  -0.313053  -0.053097
+    1SOL     H5    5  -0.223829  -0.380067  -0.015631
+    1SOL     H6    6  -0.192800  -0.307882  -0.145035
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/082/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052324  -0.073534   0.031894
+    0SOL     H3    3  -0.035829   0.019141  -0.086673
+    1SOL     O4    4   0.122630  -0.309169   0.024190
+    1SOL     H5    5   0.195207  -0.326487  -0.035768
+    1SOL     H6    6   0.114001  -0.389640   0.075301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/083/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057580  -0.012079  -0.075505
+    0SOL     H3    3   0.088402  -0.002178  -0.036643
+    1SOL     O4    4   0.167362   0.002187  -0.218211
+    1SOL     H5    5   0.133716  -0.078135  -0.257943
+    1SOL     H6    6   0.262541  -0.007363  -0.221691
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/084/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082979  -0.013224  -0.045848
+    0SOL     H3    3   0.003598  -0.060521   0.074071
+    1SOL     O4    4   0.016285   0.177955   0.206965
+    1SOL     H5    5  -0.008001   0.270516   0.204702
+    1SOL     H6    6  -0.009246   0.144338   0.121056
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/085/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045949  -0.011071  -0.083237
+    0SOL     H3    3   0.016856  -0.081253   0.047709
+    1SOL     O4    4   0.201558   0.153930   0.122915
+    1SOL     H5    5   0.136092   0.108032   0.070286
+    1SOL     H6    6   0.179921   0.246606   0.112656
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/086/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090813  -0.023987  -0.018437
+    0SOL     H3    3   0.041642  -0.082084   0.026278
+    1SOL     O4    4  -0.277469  -0.032460  -0.002063
+    1SOL     H5    5  -0.292394  -0.116524   0.041212
+    1SOL     H6    6  -0.344995  -0.027993  -0.069758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/087/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006678   0.045541   0.083927
+    0SOL     H3    3   0.009955  -0.092604   0.022087
+    1SOL     O4    4  -0.100616  -0.107011  -0.269217
+    1SOL     H5    5  -0.133787  -0.073444  -0.185938
+    1SOL     H6    6  -0.161982  -0.176425  -0.293264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/088/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003424   0.024771  -0.092396
+    0SOL     H3    3  -0.013061  -0.094825  -0.000076
+    1SOL     O4    4   0.180930   0.171343   0.123104
+    1SOL     H5    5   0.125310   0.106252   0.080303
+    1SOL     H6    6   0.269176   0.134624   0.117940
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/089/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076894   0.026860   0.050282
+    0SOL     H3    3   0.004811  -0.094803   0.012314
+    1SOL     O4    4   0.175409   0.169704   0.150556
+    1SOL     H5    5   0.140466   0.093999   0.103545
+    1SOL     H6    6   0.270397   0.161462   0.142090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/090/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064920  -0.039516  -0.058191
+    0SOL     H3    3   0.022470   0.093035   0.001367
+    1SOL     O4    4   0.019845   0.275890  -0.020192
+    1SOL     H5    5   0.088196   0.321945  -0.068867
+    1SOL     H6    6  -0.061759   0.317029  -0.048663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/091/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076803  -0.008301   0.056522
+    0SOL     H3    3   0.011122  -0.068595  -0.065828
+    1SOL     O4    4   0.023965   0.172264  -0.208889
+    1SOL     H5    5  -0.058329   0.154176  -0.254308
+    1SOL     H6    6   0.018812   0.120671  -0.128428
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/092/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042171   0.078880  -0.034086
+    0SOL     H3    3   0.035949  -0.043350  -0.077400
+    1SOL     O4    4   0.013150  -0.175017  -0.244975
+    1SOL     H5    5   0.058821  -0.137757  -0.320396
+    1SOL     H6    6   0.003278  -0.267800  -0.266333
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/093/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077999  -0.024590  -0.049737
+    0SOL     H3    3   0.018392  -0.076155   0.054995
+    1SOL     O4    4  -0.166996  -0.201937  -0.132506
+    1SOL     H5    5  -0.135154  -0.264503  -0.067438
+    1SOL     H6    6  -0.105160  -0.209348  -0.205196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/094/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022576   0.056390   0.073979
+    0SOL     H3    3  -0.063691   0.050752  -0.050300
+    1SOL     O4    4   0.142433  -0.137171  -0.296797
+    1SOL     H5    5   0.189734  -0.214149  -0.328410
+    1SOL     H6    6   0.192189  -0.062797  -0.330784
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/095/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070576   0.030787   0.056864
+    0SOL     H3    3  -0.013018   0.047327  -0.082177
+    1SOL     O4    4  -0.024396  -0.267380   0.001409
+    1SOL     H5    5  -0.005682  -0.174500  -0.012206
+    1SOL     H6    6  -0.031262  -0.303673  -0.086898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/096/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002037  -0.044832   0.084547
+    0SOL     H3    3   0.085843  -0.021484  -0.036494
+    1SOL     O4    4   0.305154   0.140586   0.081226
+    1SOL     H5    5   0.380291   0.160225   0.025270
+    1SOL     H6    6   0.309167   0.045864   0.094421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/097/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080864  -0.008323  -0.050538
+    0SOL     H3    3  -0.008948  -0.064281   0.070357
+    1SOL     O4    4   0.035661  -0.153295   0.206474
+    1SOL     H5    5  -0.022548  -0.112005   0.270264
+    1SOL     H6    6   0.022337  -0.247237   0.219110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/098/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071219   0.004626  -0.063787
+    0SOL     H3    3   0.015959  -0.081301   0.047935
+    1SOL     O4    4  -0.044645  -0.193193   0.204400
+    1SOL     H5    5  -0.117490  -0.167116   0.260755
+    1SOL     H6    6  -0.028103  -0.284640   0.227334
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/099/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072487  -0.046348  -0.041950
+    0SOL     H3    3  -0.008036  -0.040967   0.086137
+    1SOL     O4    4  -0.013355  -0.163033   0.210636
+    1SOL     H5    5  -0.077077  -0.181383   0.279666
+    1SOL     H6    6  -0.026843  -0.232694   0.146390
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/100/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083043  -0.000424  -0.047602
+    0SOL     H3    3   0.010162   0.069181   0.065369
+    1SOL     O4    4  -0.171405   0.009737  -0.219561
+    1SOL     H5    5  -0.133824   0.086015  -0.263513
+    1SOL     H6    6  -0.118365  -0.001017  -0.140609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/101/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007925  -0.095359  -0.002467
+    0SOL     H3    3  -0.083083   0.031906  -0.035237
+    1SOL     O4    4  -0.022027  -0.262206  -0.020376
+    1SOL     H5    5   0.041057  -0.303267  -0.079509
+    1SOL     H6    6  -0.017805  -0.314794   0.059493
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/102/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024655   0.047356  -0.079447
+    0SOL     H3    3   0.067378   0.023466   0.063811
+    1SOL     O4    4  -0.183747   0.135034   0.148249
+    1SOL     H5    5  -0.136005   0.090212   0.078435
+    1SOL     H6    6  -0.120081   0.143562   0.219215
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/103/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082215  -0.009168   0.048156
+    0SOL     H3    3  -0.002284  -0.070252  -0.064975
+    1SOL     O4    4  -0.128752  -0.322129   0.081864
+    1SOL     H5    5  -0.175774  -0.247551   0.044590
+    1SOL     H6    6  -0.164866  -0.398335   0.036579
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/104/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075259   0.005804   0.058862
+    0SOL     H3    3   0.020591   0.060440  -0.071311
+    1SOL     O4    4  -0.165232   0.018951   0.228417
+    1SOL     H5    5  -0.260204   0.019017   0.216474
+    1SOL     H6    6  -0.129951   0.007737   0.140146
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/105/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058272  -0.057136  -0.050022
+    0SOL     H3    3   0.028219  -0.053516   0.074176
+    1SOL     O4    4  -0.142940  -0.165908  -0.173271
+    1SOL     H5    5  -0.115468  -0.243534  -0.124468
+    1SOL     H6    6  -0.110602  -0.180739  -0.262134
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/106/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065046  -0.024325  -0.065875
+    0SOL     H3    3  -0.003884   0.095580   0.003412
+    1SOL     O4    4  -0.171409   0.150494  -0.326309
+    1SOL     H5    5  -0.196516   0.228755  -0.375372
+    1SOL     H6    6  -0.215244   0.160086  -0.241758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/107/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071414   0.010000   0.062947
+    0SOL     H3    3   0.009359   0.074796  -0.058994
+    1SOL     O4    4  -0.169416  -0.012333   0.217600
+    1SOL     H5    5  -0.131291  -0.086573   0.264476
+    1SOL     H6    6  -0.130829  -0.016813   0.130117
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/108/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065841  -0.024245   0.065111
+    0SOL     H3    3  -0.007914  -0.077205  -0.056027
+    1SOL     O4    4   0.291809  -0.038737  -0.127531
+    1SOL     H5    5   0.256524  -0.014816  -0.041828
+    1SOL     H6    6   0.362453   0.024029  -0.142769
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/109/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079440   0.040013   0.035362
+    0SOL     H3    3  -0.016233  -0.094193   0.005153
+    1SOL     O4    4  -0.162544   0.191626   0.107043
+    1SOL     H5    5  -0.127130   0.260754   0.051101
+    1SOL     H6    6  -0.257381   0.197709   0.095587
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/110/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001082   0.080411  -0.051915
+    0SOL     H3    3  -0.079033   0.005078   0.053761
+    1SOL     O4    4   0.111319   0.304975   0.046046
+    1SOL     H5    5   0.148155   0.390284   0.023073
+    1SOL     H6    6   0.131489   0.294373   0.139014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/111/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005143  -0.030989   0.090419
+    0SOL     H3    3  -0.071449  -0.050604  -0.038685
+    1SOL     O4    4   0.030208  -0.201187   0.178598
+    1SOL     H5    5  -0.049079  -0.202261   0.232214
+    1SOL     H6    6   0.018298  -0.273222   0.116700
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/112/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066778  -0.031039   0.061152
+    0SOL     H3    3  -0.005248   0.095437   0.005146
+    1SOL     O4    4  -0.001871   0.257624  -0.034169
+    1SOL     H5    5  -0.013595   0.310034  -0.113403
+    1SOL     H6    6   0.073160   0.297377   0.010016
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/113/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000523   0.094781  -0.013368
+    0SOL     H3    3  -0.011069  -0.036555  -0.087770
+    1SOL     O4    4  -0.013774   0.258662   0.014227
+    1SOL     H5    5  -0.046046   0.312097   0.086791
+    1SOL     H6    6   0.000551   0.321013  -0.056973
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/114/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017976  -0.073242  -0.058947
+    0SOL     H3    3   0.095148  -0.000394   0.010444
+    1SOL     O4    4  -0.161430   0.184055  -0.136914
+    1SOL     H5    5  -0.113210   0.145375  -0.063832
+    1SOL     H6    6  -0.153775   0.278508  -0.123407
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/115/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069636  -0.004510  -0.065520
+    0SOL     H3    3   0.005143  -0.083629   0.046283
+    1SOL     O4    4   0.132594  -0.022632  -0.232801
+    1SOL     H5    5   0.105701   0.052664  -0.285428
+    1SOL     H6    6   0.079993  -0.095286  -0.266221
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/116/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038798  -0.072449  -0.049074
+    0SOL     H3    3   0.052028   0.076405  -0.024855
+    1SOL     O4    4   0.176195   0.004941   0.218301
+    1SOL     H5    5   0.099515  -0.010285   0.163069
+    1SOL     H6    6   0.166233   0.095101   0.248867
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/117/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071232  -0.019861  -0.060778
+    0SOL     H3    3  -0.001951   0.095605   0.004267
+    1SOL     O4    4  -0.141722   0.120094   0.230581
+    1SOL     H5    5  -0.190175   0.059808   0.174187
+    1SOL     H6    6  -0.195239   0.127275   0.309618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/118/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021590  -0.089266  -0.026978
+    0SOL     H3    3   0.095680   0.002729  -0.000453
+    1SOL     O4    4  -0.173039   0.150329  -0.157461
+    1SOL     H5    5  -0.253977   0.122445  -0.114639
+    1SOL     H6    6  -0.105003   0.095725  -0.118067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/119/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001980   0.083516  -0.046727
+    0SOL     H3    3  -0.020543  -0.064750  -0.067437
+    1SOL     O4    4  -0.147531  -0.021145   0.226124
+    1SOL     H5    5  -0.112458   0.044595   0.286211
+    1SOL     H6    6  -0.114122   0.004618   0.140204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/120/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076961  -0.049437  -0.028201
+    0SOL     H3    3  -0.007177  -0.018161   0.093707
+    1SOL     O4    4   0.154361   0.122541   0.276267
+    1SOL     H5    5   0.178489   0.196415   0.220385
+    1SOL     H6    6   0.058652   0.123521   0.277348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/121/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.002772  -0.071440   0.063647
+    0SOL     H3    3  -0.076368  -0.019270  -0.054396
+    1SOL     O4    4  -0.141978   0.143269  -0.320589
+    1SOL     H5    5  -0.157875   0.081176  -0.391680
+    1SOL     H6    6  -0.047608   0.159077  -0.323185
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/122/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077350   0.015668  -0.054165
+    0SOL     H3    3  -0.070357   0.047377  -0.044358
+    1SOL     O4    4   0.001773   0.165930   0.227509
+    1SOL     H5    5  -0.011291   0.087740   0.173863
+    1SOL     H6    6  -0.009585   0.238950   0.166669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/123/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064579  -0.060070   0.037194
+    0SOL     H3    3   0.012937  -0.031135  -0.089585
+    1SOL     O4    4   0.171176  -0.176566   0.152730
+    1SOL     H5    5   0.149031  -0.111633   0.085980
+    1SOL     H6    6   0.266041  -0.187059   0.145464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/124/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067530  -0.022264  -0.064081
+    0SOL     H3    3   0.033208   0.078492   0.043572
+    1SOL     O4    4  -0.156662   0.070233  -0.220769
+    1SOL     H5    5  -0.119041   0.146605  -0.264522
+    1SOL     H6    6  -0.111688   0.066357  -0.136361
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/125/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019193   0.034139   0.087341
+    0SOL     H3    3  -0.071940   0.054544  -0.031812
+    1SOL     O4    4  -0.001877   0.157666   0.238233
+    1SOL     H5    5   0.082488   0.156504   0.283439
+    1SOL     H6    6   0.007375   0.226060   0.171909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/126/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007537  -0.070492   0.064315
+    0SOL     H3    3  -0.001493   0.080151   0.052306
+    1SOL     O4    4  -0.028326  -0.155456   0.239931
+    1SOL     H5    5  -0.108223  -0.111640   0.269240
+    1SOL     H6    6  -0.051611  -0.248247   0.236795
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/127/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095701   0.001385  -0.001312
+    0SOL     H3    3  -0.025413   0.092114  -0.005620
+    1SOL     O4    4  -0.156094  -0.023564   0.217209
+    1SOL     H5    5  -0.162262  -0.104350   0.268179
+    1SOL     H6    6  -0.093707  -0.043868   0.147509
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/128/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036841  -0.069160  -0.054972
+    0SOL     H3    3  -0.034257   0.081183  -0.037390
+    1SOL     O4    4   0.090081  -0.300183  -0.054900
+    1SOL     H5    5   0.095706  -0.231237  -0.121060
+    1SOL     H6    6   0.086793  -0.381534  -0.105234
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/129/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072377  -0.029184   0.055427
+    0SOL     H3    3   0.005806  -0.066317  -0.068780
+    1SOL     O4    4   0.148067   0.015384   0.203394
+    1SOL     H5    5   0.132439  -0.073101   0.236384
+    1SOL     H6    6   0.114049   0.014000   0.113934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/130/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036320  -0.088175   0.008268
+    0SOL     H3    3   0.001966   0.035207   0.088988
+    1SOL     O4    4   0.028160   0.165288   0.192393
+    1SOL     H5    5   0.015188   0.235084   0.128185
+    1SOL     H6    6  -0.049935   0.168682   0.247637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/131/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009640  -0.035516   0.088363
+    0SOL     H3    3  -0.069375  -0.052723  -0.039620
+    1SOL     O4    4   0.028008  -0.166925   0.210679
+    1SOL     H5    5   0.082795  -0.189428   0.285874
+    1SOL     H6    6   0.043614  -0.237297   0.147699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/132/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095186  -0.009290  -0.003953
+    0SOL     H3    3   0.019781   0.004804   0.093531
+    1SOL     O4    4  -0.257876  -0.013709  -0.018676
+    1SOL     H5    5  -0.271296   0.069600  -0.063863
+    1SOL     H6    6  -0.321558  -0.073099  -0.058422
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/133/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076834  -0.017822  -0.054233
+    0SOL     H3    3   0.074447  -0.013993  -0.058516
+    1SOL     O4    4  -0.175100  -0.020331  -0.211846
+    1SOL     H5    5  -0.149811  -0.096204  -0.264441
+    1SOL     H6    6  -0.270423  -0.016431  -0.219628
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/134/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079521   0.020153   0.049321
+    0SOL     H3    3  -0.068869   0.049695   0.044157
+    1SOL     O4    4  -0.154451  -0.137879   0.302156
+    1SOL     H5    5  -0.193181  -0.066257   0.352482
+    1SOL     H6    6  -0.175876  -0.216655   0.352133
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/135/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031327   0.007006   0.090177
+    0SOL     H3    3  -0.055380  -0.067355  -0.039480
+    1SOL     O4    4  -0.151476  -0.166062  -0.159708
+    1SOL     H5    5  -0.141278  -0.261091  -0.154443
+    1SOL     H6    6  -0.156152  -0.147587  -0.253511
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/136/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027995  -0.072718  -0.055594
+    0SOL     H3    3   0.050301  -0.010760   0.080724
+    1SOL     O4    4   0.160753  -0.012340   0.207642
+    1SOL     H5    5   0.170738  -0.069998   0.283393
+    1SOL     H6    6   0.142617   0.073787   0.245264
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/137/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040508   0.073112   0.046648
+    0SOL     H3    3   0.042736  -0.000450  -0.085649
+    1SOL     O4    4   0.195142   0.014690  -0.196903
+    1SOL     H5    5   0.268966   0.014823  -0.135973
+    1SOL     H6    6   0.205021   0.095806  -0.246751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/138/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063122   0.029767   0.065513
+    0SOL     H3    3  -0.011745  -0.094941  -0.003242
+    1SOL     O4    4  -0.163597   0.151780   0.196884
+    1SOL     H5    5  -0.259062   0.145094   0.194893
+    1SOL     H6    6  -0.140750   0.141641   0.289283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/139/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038613  -0.034517  -0.080498
+    0SOL     H3    3  -0.003278   0.095069  -0.010656
+    1SOL     O4    4  -0.016472  -0.156619  -0.216613
+    1SOL     H5    5  -0.092031  -0.185847  -0.267592
+    1SOL     H6    6   0.052868  -0.144233  -0.281427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/140/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024060  -0.068062  -0.062856
+    0SOL     H3    3   0.072472   0.001642   0.062509
+    1SOL     O4    4   0.175755   0.026698   0.204696
+    1SOL     H5    5   0.270482   0.022600   0.217822
+    1SOL     H6    6   0.140152  -0.036876   0.266770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/141/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042171   0.071675   0.047398
+    0SOL     H3    3  -0.093310   0.010596   0.018530
+    1SOL     O4    4   0.013907  -0.284244   0.042662
+    1SOL     H5    5  -0.075817  -0.315628   0.053927
+    1SOL     H6    6   0.005108  -0.189444   0.032768
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/142/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074389   0.035806  -0.048441
+    0SOL     H3    3   0.010284  -0.094912  -0.006942
+    1SOL     O4    4  -0.012424   0.165091   0.211666
+    1SOL     H5    5  -0.019072   0.245337   0.159909
+    1SOL     H6    6  -0.015419   0.094539   0.147046
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/143/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073942  -0.011590   0.059670
+    0SOL     H3    3  -0.076867   0.001391   0.057025
+    1SOL     O4    4  -0.199792  -0.047892   0.238509
+    1SOL     H5    5  -0.166237  -0.115224   0.297693
+    1SOL     H6    6  -0.294247  -0.047226   0.254006
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/144/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093271   0.016250  -0.014101
+    0SOL     H3    3  -0.002741  -0.063604   0.071480
+    1SOL     O4    4   0.288041   0.185451   0.071806
+    1SOL     H5    5   0.363349   0.212052   0.019048
+    1SOL     H6    6   0.303939   0.093137   0.091496
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/145/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020969   0.024492   0.090126
+    0SOL     H3    3   0.011262  -0.095009   0.002952
+    1SOL     O4    4   0.199833   0.158006  -0.106961
+    1SOL     H5    5   0.161177   0.162890  -0.194392
+    1SOL     H6    6   0.150027   0.089415  -0.062498
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/146/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080283  -0.010807   0.050991
+    0SOL     H3    3  -0.001658  -0.072098  -0.062940
+    1SOL     O4    4  -0.168304  -0.009648   0.212894
+    1SOL     H5    5  -0.128130   0.057943   0.267482
+    1SOL     H6    6  -0.256866  -0.019277   0.247913
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/147/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060953   0.009475  -0.073193
+    0SOL     H3    3   0.032114  -0.076165   0.048268
+    1SOL     O4    4  -0.134458  -0.297957  -0.082392
+    1SOL     H5    5  -0.171043  -0.223844  -0.034108
+    1SOL     H6    6  -0.040078  -0.292011  -0.067583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/148/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001632  -0.041142   0.086412
+    0SOL     H3    3   0.066775  -0.048551  -0.048438
+    1SOL     O4    4  -0.025610   0.269583  -0.001989
+    1SOL     H5    5  -0.099243   0.303679  -0.052763
+    1SOL     H6    6  -0.030124   0.174715  -0.013906
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/149/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010919   0.094940   0.005424
+    0SOL     H3    3  -0.011065  -0.028112   0.090827
+    1SOL     O4    4   0.337332   0.165302  -0.018343
+    1SOL     H5    5   0.284322   0.166396  -0.098037
+    1SOL     H6    6   0.427756   0.167909  -0.049629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/150/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004718   0.036782  -0.088245
+    0SOL     H3    3   0.006327  -0.094522  -0.013705
+    1SOL     O4    4   0.016201   0.135076  -0.252212
+    1SOL     H5    5   0.091655   0.143287  -0.310536
+    1SOL     H6    6   0.015344   0.216825  -0.202426
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/151/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090059   0.030792  -0.010174
+    0SOL     H3    3   0.027165   0.033131   0.085596
+    1SOL     O4    4   0.064096  -0.274386   0.147346
+    1SOL     H5    5   0.024051  -0.198090   0.189030
+    1SOL     H6    6   0.158116  -0.256633   0.150065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/152/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042053   0.063110  -0.058404
+    0SOL     H3    3  -0.092323   0.001788  -0.025211
+    1SOL     O4    4  -0.294084  -0.027492  -0.034521
+    1SOL     H5    5  -0.362000  -0.083416  -0.072234
+    1SOL     H6    6  -0.322292  -0.013070   0.055804
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/153/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061293   0.022017  -0.070148
+    0SOL     H3    3   0.006353   0.073250   0.061289
+    1SOL     O4    4  -0.000766   0.185219   0.249226
+    1SOL     H5    5   0.078384   0.172627   0.301562
+    1SOL     H6    6  -0.002525   0.279088   0.230578
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/154/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071495   0.023675  -0.059079
+    0SOL     H3    3  -0.076844   0.043839  -0.036543
+    1SOL     O4    4   0.170909   0.175241  -0.140725
+    1SOL     H5    5   0.133671   0.252031  -0.097378
+    1SOL     H6    6   0.134901   0.177906  -0.229374
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/155/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071195   0.008210  -0.063452
+    0SOL     H3    3  -0.079785   0.005930  -0.052550
+    1SOL     O4    4   0.016212  -0.168067   0.208968
+    1SOL     H5    5  -0.014066  -0.125183   0.128928
+    1SOL     H6    6   0.083920  -0.109760   0.243295
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/156/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070644   0.036992   0.052946
+    0SOL     H3    3  -0.080222   0.031555   0.041605
+    1SOL     O4    4   0.286172  -0.162284   0.071897
+    1SOL     H5    5   0.349199  -0.169236   0.143602
+    1SOL     H6    6   0.200704  -0.170679   0.114171
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/157/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093912   0.016846  -0.007684
+    0SOL     H3    3   0.019588   0.015019   0.092483
+    1SOL     O4    4   0.030457  -0.266032   0.131153
+    1SOL     H5    5  -0.006344  -0.192509   0.180166
+    1SOL     H6    6   0.125209  -0.255803   0.140086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/158/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066172   0.051963   0.045645
+    0SOL     H3    3   0.006186  -0.086906   0.039641
+    1SOL     O4    4   0.171836  -0.151831   0.176994
+    1SOL     H5    5   0.178151  -0.121123   0.267434
+    1SOL     H6    6   0.169198  -0.247245   0.184175
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/159/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069950  -0.045149  -0.047232
+    0SOL     H3    3   0.003742  -0.036017   0.088606
+    1SOL     O4    4   0.276834   0.106255  -0.071206
+    1SOL     H5    5   0.353448   0.111708  -0.128328
+    1SOL     H6    6   0.278352   0.187840  -0.021167
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/160/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037237  -0.073207  -0.049158
+    0SOL     H3    3   0.043468   0.077454  -0.035689
+    1SOL     O4    4   0.180564  -0.001725   0.201171
+    1SOL     H5    5   0.102108   0.005509   0.146813
+    1SOL     H6    6   0.179972   0.077535   0.254834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/161/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082472  -0.001307   0.048569
+    0SOL     H3    3  -0.009383  -0.069542  -0.065101
+    1SOL     O4    4  -0.158488  -0.013595   0.219414
+    1SOL     H5    5  -0.118583  -0.091874   0.257392
+    1SOL     H6    6  -0.252345  -0.032377   0.218833
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/162/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001999   0.095697   0.000693
+    0SOL     H3    3  -0.072535  -0.022910   0.058105
+    1SOL     O4    4  -0.154710  -0.184506   0.139133
+    1SOL     H5    5  -0.098412  -0.259647   0.120513
+    1SOL     H6    6  -0.135782  -0.162347   0.230309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/163/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004999   0.093544  -0.019671
+    0SOL     H3    3  -0.005806  -0.042265  -0.085687
+    1SOL     O4    4   0.018599  -0.165621  -0.194962
+    1SOL     H5    5  -0.045327  -0.183520  -0.263921
+    1SOL     H6    6   0.099698  -0.146079  -0.241902
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/164/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022390  -0.083778  -0.040525
+    0SOL     H3    3   0.061966   0.008958   0.072404
+    1SOL     O4    4   0.134038  -0.183131  -0.156963
+    1SOL     H5    5   0.112842  -0.275478  -0.170571
+    1SOL     H6    6   0.136376  -0.145809  -0.245076
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/165/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029560   0.086612  -0.028050
+    0SOL     H3    3  -0.094325   0.009865   0.012950
+    1SOL     O4    4   0.183546  -0.181628  -0.120031
+    1SOL     H5    5   0.255198  -0.189952  -0.057110
+    1SOL     H6    6   0.126422  -0.114552  -0.082615
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/166/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011022  -0.052558  -0.079237
+    0SOL     H3    3   0.024174   0.086907  -0.032017
+    1SOL     O4    4   0.184795  -0.160244   0.128800
+    1SOL     H5    5   0.136666  -0.234310   0.091918
+    1SOL     H6    6   0.155989  -0.084871   0.077309
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/167/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071956   0.055561  -0.029962
+    0SOL     H3    3  -0.077282   0.034721  -0.044545
+    1SOL     O4    4  -0.193054   0.164380  -0.116652
+    1SOL     H5    5  -0.177943   0.238266  -0.057704
+    1SOL     H6    6  -0.288037   0.152522  -0.116410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/168/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094538  -0.009793   0.011355
+    0SOL     H3    3  -0.010516   0.086093  -0.040494
+    1SOL     O4    4  -0.143747   0.050488   0.224917
+    1SOL     H5    5  -0.228200   0.060013   0.180880
+    1SOL     H6    6  -0.085972   0.013348   0.158246
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/169/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015515   0.052493  -0.078524
+    0SOL     H3    3  -0.010971  -0.090528  -0.029096
+    1SOL     O4    4  -0.205002   0.172699   0.116189
+    1SOL     H5    5  -0.166470   0.091121   0.084209
+    1SOL     H6    6  -0.171234   0.181882   0.205283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/170/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056245   0.062508   0.045734
+    0SOL     H3    3   0.018879   0.041732  -0.084049
+    1SOL     O4    4   0.008575   0.159730  -0.196909
+    1SOL     H5    5  -0.057355   0.206148  -0.248493
+    1SOL     H6    6   0.081314   0.146092  -0.257616
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/171/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074534   0.010900  -0.059061
+    0SOL     H3    3   0.011029   0.068896   0.065528
+    1SOL     O4    4   0.193723   0.010288  -0.187091
+    1SOL     H5    5   0.176558  -0.053503  -0.256362
+    1SOL     H6    6   0.289162   0.013413  -0.180457
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/172/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020182   0.075048   0.055882
+    0SOL     H3    3   0.092837   0.010031  -0.021049
+    1SOL     O4    4  -0.209708  -0.025215  -0.211431
+    1SOL     H5    5  -0.126580  -0.014722  -0.165150
+    1SOL     H6    6  -0.203893   0.035427  -0.285262
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/173/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052232  -0.070814   0.037676
+    0SOL     H3    3  -0.039574   0.016052  -0.085665
+    1SOL     O4    4  -0.147240  -0.005460  -0.242652
+    1SOL     H5    5  -0.226097  -0.002686  -0.188464
+    1SOL     H6    6  -0.146271   0.078857  -0.287951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/174/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065200  -0.026598  -0.064837
+    0SOL     H3    3   0.007291   0.094829  -0.010802
+    1SOL     O4    4   0.134283   0.109953   0.319953
+    1SOL     H5    5   0.184813   0.169470   0.264574
+    1SOL     H6    6   0.043491   0.138201   0.308949
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/175/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048451   0.046808   0.067998
+    0SOL     H3    3  -0.059747  -0.068989  -0.028864
+    1SOL     O4    4  -0.146243  -0.204407  -0.161168
+    1SOL     H5    5  -0.163657  -0.175133  -0.250623
+    1SOL     H6    6  -0.171938  -0.296612  -0.160661
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/176/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038224  -0.075623  -0.044524
+    0SOL     H3    3   0.094410  -0.015453  -0.003211
+    1SOL     O4    4   0.128659   0.129666  -0.244686
+    1SOL     H5    5   0.049197   0.165271  -0.284441
+    1SOL     H6    6   0.128237   0.163980  -0.155329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/177/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081464   0.009390  -0.049373
+    0SOL     H3    3   0.067869  -0.008154  -0.067005
+    1SOL     O4    4  -0.025007   0.171360   0.217045
+    1SOL     H5    5  -0.016113   0.261032   0.184762
+    1SOL     H6    6  -0.021731   0.117063   0.138283
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/178/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023566  -0.082490  -0.042454
+    0SOL     H3    3   0.095411   0.003976  -0.006577
+    1SOL     O4    4  -0.127913  -0.185516  -0.145585
+    1SOL     H5    5  -0.106944  -0.154596  -0.233712
+    1SOL     H6    6  -0.210953  -0.142913  -0.124330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/179/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019679  -0.073266   0.058371
+    0SOL     H3    3   0.073426  -0.030727  -0.053168
+    1SOL     O4    4  -0.069927   0.143768   0.230098
+    1SOL     H5    5  -0.053690   0.147408   0.135835
+    1SOL     H6    6  -0.081446   0.235190   0.256013
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/180/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077032   0.019287   0.053445
+    0SOL     H3    3   0.025602   0.024804  -0.088835
+    1SOL     O4    4   0.033297   0.174207  -0.218716
+    1SOL     H5    5  -0.041567   0.175941  -0.278337
+    1SOL     H6    6   0.107136   0.203633  -0.272047
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/181/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069607   0.005092  -0.065508
+    0SOL     H3    3  -0.078313   0.030569  -0.045770
+    1SOL     O4    4   0.294542   0.161054   0.040005
+    1SOL     H5    5   0.374549   0.199927   0.004648
+    1SOL     H6    6   0.284976   0.200496   0.126695
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/182/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093034  -0.002518  -0.022374
+    0SOL     H3    3  -0.045117  -0.007610  -0.084076
+    1SOL     O4    4   0.143886   0.338688   0.018308
+    1SOL     H5    5   0.072472   0.350250  -0.044372
+    1SOL     H6    6   0.222559   0.332357  -0.035847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/183/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095476  -0.006184  -0.002906
+    0SOL     H3    3   0.026407  -0.066241   0.063852
+    1SOL     O4    4  -0.267377  -0.001289  -0.019480
+    1SOL     H5    5  -0.297634   0.087614  -0.000956
+    1SOL     H6    6  -0.305416  -0.022304  -0.104766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/184/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093888   0.010171  -0.015620
+    0SOL     H3    3  -0.010121   0.012491   0.094360
+    1SOL     O4    4   0.107421  -0.112075  -0.279248
+    1SOL     H5    5   0.030221  -0.144872  -0.325364
+    1SOL     H6    6   0.181559  -0.146930  -0.328757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/185/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070300   0.053395   0.037003
+    0SOL     H3    3   0.080197   0.036971   0.036931
+    1SOL     O4    4   0.143788  -0.118276   0.282595
+    1SOL     H5    5   0.151114  -0.035693   0.330434
+    1SOL     H6    6   0.054248  -0.118548   0.248758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/186/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074705  -0.043243   0.041371
+    0SOL     H3    3  -0.011902  -0.046609  -0.082754
+    1SOL     O4    4  -0.117202   0.182029   0.255713
+    1SOL     H5    5  -0.022375   0.170434   0.249728
+    1SOL     H6    6  -0.149662   0.159714   0.168474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/187/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070913  -0.020026   0.061096
+    0SOL     H3    3  -0.003108   0.095633  -0.002645
+    1SOL     O4    4  -0.144197   0.115611  -0.289340
+    1SOL     H5    5  -0.175934   0.205906  -0.287944
+    1SOL     H6    6  -0.192530   0.072097  -0.219106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/188/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074295   0.006384   0.060015
+    0SOL     H3    3   0.025877  -0.067097  -0.063173
+    1SOL     O4    4   0.305023  -0.127577  -0.056879
+    1SOL     H5    5   0.389670  -0.169448  -0.041263
+    1SOL     H6    6   0.317601  -0.036881  -0.028981
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/189/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010842   0.094561   0.010143
+    0SOL     H3    3   0.021251  -0.031288   0.087930
+    1SOL     O4    4  -0.028642   0.274292   0.021001
+    1SOL     H5    5  -0.106980   0.311422  -0.019580
+    1SOL     H6    6  -0.018230   0.323439   0.102478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/190/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031505  -0.085174   0.030251
+    0SOL     H3    3  -0.056617   0.063496   0.043876
+    1SOL     O4    4   0.124922   0.145411  -0.289145
+    1SOL     H5    5   0.197942   0.189447  -0.245655
+    1SOL     H6    6   0.046892   0.179308  -0.245275
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/191/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078896  -0.022849   0.049149
+    0SOL     H3    3  -0.068013  -0.056948   0.035964
+    1SOL     O4    4  -0.314931  -0.070862  -0.177381
+    1SOL     H5    5  -0.274417  -0.156479  -0.191188
+    1SOL     H6    6  -0.304821  -0.054364  -0.083637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/192/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064822  -0.055977   0.042744
+    0SOL     H3    3  -0.031470   0.008778  -0.089972
+    1SOL     O4    4   0.116604  -0.151659  -0.266521
+    1SOL     H5    5   0.179487  -0.196057  -0.209627
+    1SOL     H6    6   0.135120  -0.185802  -0.354007
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/193/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036262  -0.060420   0.064783
+    0SOL     H3    3  -0.024388  -0.037892  -0.084450
+    1SOL     O4    4   0.152943  -0.303323   0.096263
+    1SOL     H5    5   0.227518  -0.303058   0.036256
+    1SOL     H6    6   0.174619  -0.370237   0.161186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/194/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047257  -0.064942   0.052073
+    0SOL     H3    3  -0.044246  -0.000490  -0.084879
+    1SOL     O4    4  -0.130846   0.184700   0.135316
+    1SOL     H5    5  -0.205054   0.159841   0.080203
+    1SOL     H6    6  -0.057918   0.132076   0.102538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/195/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094102  -0.016171  -0.006754
+    0SOL     H3    3   0.018725  -0.006038   0.093676
+    1SOL     O4    4   0.194511   0.138954  -0.141977
+    1SOL     H5    5   0.204517   0.101378  -0.229443
+    1SOL     H6    6   0.109592   0.106852  -0.111637
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/196/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059067   0.061740  -0.043146
+    0SOL     H3    3   0.043189  -0.020591   0.082904
+    1SOL     O4    4   0.169834   0.001156   0.226962
+    1SOL     H5    5   0.209443   0.074495   0.274024
+    1SOL     H6    6   0.225704  -0.011089   0.150210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/197/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037309   0.031809  -0.082211
+    0SOL     H3    3  -0.094207   0.014151  -0.009335
+    1SOL     O4    4   0.131730   0.175524   0.148686
+    1SOL     H5    5   0.148543   0.138342   0.235272
+    1SOL     H6    6   0.069232   0.115243   0.108406
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/198/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086430   0.021300  -0.035193
+    0SOL     H3    3   0.015319   0.066011   0.067603
+    1SOL     O4    4  -0.119734  -0.143513   0.263867
+    1SOL     H5    5  -0.024086  -0.145164   0.267186
+    1SOL     H6    6  -0.147127  -0.156564   0.354650
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/199/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081568   0.032765  -0.037887
+    0SOL     H3    3  -0.065096   0.066691  -0.021842
+    1SOL     O4    4   0.001948  -0.289443   0.030650
+    1SOL     H5    5   0.004238  -0.200083   0.064882
+    1SOL     H6    6  -0.008473  -0.344587   0.108192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/200/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031261  -0.017667  -0.088729
+    0SOL     H3    3  -0.048674  -0.078722   0.024415
+    1SOL     O4    4   0.156971  -0.206625   0.139399
+    1SOL     H5    5   0.247578  -0.232469   0.122522
+    1SOL     H6    6   0.148129  -0.121172   0.097187
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/201/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068027   0.006920   0.066984
+    0SOL     H3    3  -0.032548  -0.066691  -0.060459
+    1SOL     O4    4  -0.022264   0.203531  -0.211935
+    1SOL     H5    5  -0.006654   0.163816  -0.126254
+    1SOL     H6    6  -0.107756   0.169870  -0.238774
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/202/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009269   0.093857   0.016350
+    0SOL     H3    3   0.002907  -0.039910   0.086954
+    1SOL     O4    4   0.294394  -0.053699   0.136639
+    1SOL     H5    5   0.375993  -0.012670   0.165283
+    1SOL     H6    6   0.227740  -0.018177   0.195441
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/203/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034486   0.005343  -0.089132
+    0SOL     H3    3  -0.012614  -0.091486   0.025169
+    1SOL     O4    4   0.098158   0.109186  -0.282024
+    1SOL     H5    5   0.172671   0.168125  -0.270350
+    1SOL     H6    6   0.023364   0.157930  -0.247497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/204/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094337  -0.016055   0.002272
+    0SOL     H3    3  -0.029446  -0.017289   0.089422
+    1SOL     O4    4   0.154723  -0.118672   0.274632
+    1SOL     H5    5   0.140506  -0.025751   0.292683
+    1SOL     H6    6   0.143329  -0.161608   0.359419
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/205/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.026998   0.070335  -0.059046
+    0SOL     H3    3  -0.094545   0.011575   0.009463
+    1SOL     O4    4   0.185417  -0.149192  -0.180177
+    1SOL     H5    5   0.276589  -0.123606  -0.166203
+    1SOL     H6    6   0.141702  -0.128289  -0.097627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/206/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020592   0.084664  -0.039626
+    0SOL     H3    3  -0.046707  -0.063763  -0.053991
+    1SOL     O4    4   0.140864  -0.279413  -0.053931
+    1SOL     H5    5   0.066241  -0.267521   0.004824
+    1SOL     H6    6   0.117518  -0.355361  -0.107308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/207/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074398   0.002957   0.060154
+    0SOL     H3    3   0.014400   0.073495  -0.059610
+    1SOL     O4    4  -0.009731   0.171065  -0.219043
+    1SOL     H5    5  -0.058445   0.120132  -0.283813
+    1SOL     H6    6   0.081423   0.165432  -0.247705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/208/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077364  -0.007198  -0.055905
+    0SOL     H3    3  -0.073942  -0.005227  -0.060561
+    1SOL     O4    4  -0.157094  -0.040765  -0.215094
+    1SOL     H5    5  -0.112471  -0.116209  -0.253556
+    1SOL     H6    6  -0.143226   0.029985  -0.278058
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/209/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041774  -0.068221  -0.052566
+    0SOL     H3    3   0.051883   0.003521   0.080362
+    1SOL     O4    4   0.156604   0.204570  -0.154375
+    1SOL     H5    5   0.167663   0.299386  -0.147312
+    1SOL     H6    6   0.077148   0.185885  -0.104376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/210/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039417   0.017873   0.085377
+    0SOL     H3    3   0.094079   0.010221   0.014389
+    1SOL     O4    4   0.253360   0.050761   0.021499
+    1SOL     H5    5   0.299409   0.051657   0.105409
+    1SOL     H6    6   0.287914   0.126559  -0.025649
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/211/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024853  -0.076504   0.051883
+    0SOL     H3    3   0.094472   0.008188   0.013052
+    1SOL     O4    4  -0.180147  -0.173931   0.129411
+    1SOL     H5    5  -0.252341  -0.119216   0.098481
+    1SOL     H6    6  -0.158605  -0.138681   0.215757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/212/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050869  -0.060874   0.053564
+    0SOL     H3    3  -0.039275  -0.006067  -0.087081
+    1SOL     O4    4  -0.157098  -0.014318  -0.238835
+    1SOL     H5    5  -0.234437   0.014014  -0.190068
+    1SOL     H6    6  -0.147709   0.050454  -0.308682
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/213/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.084053  -0.019005  -0.041669
+    0SOL     H3    3   0.020808   0.064318   0.067768
+    1SOL     O4    4   0.017052   0.185618   0.207965
+    1SOL     H5    5  -0.064731   0.156333   0.248166
+    1SOL     H6    6   0.084433   0.164678   0.272646
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/214/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082781  -0.034087   0.033877
+    0SOL     H3    3  -0.012975  -0.046349  -0.082739
+    1SOL     O4    4   0.002126  -0.168149  -0.209913
+    1SOL     H5    5   0.074700  -0.182663  -0.270615
+    1SOL     H6    6   0.007016  -0.241552  -0.148672
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/215/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023785  -0.056501  -0.073513
+    0SOL     H3    3  -0.057327  -0.028035   0.071344
+    1SOL     O4    4  -0.062551   0.293933   0.122669
+    1SOL     H5    5  -0.005419   0.227163   0.160617
+    1SOL     H6    6  -0.017162   0.322017   0.043212
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/216/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044952   0.069907  -0.047484
+    0SOL     H3    3   0.051519  -0.011779   0.079808
+    1SOL     O4    4  -0.129209  -0.322008  -0.088651
+    1SOL     H5    5  -0.074123  -0.330009  -0.010781
+    1SOL     H6    6  -0.133657  -0.410800  -0.124128
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/217/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043362  -0.001226   0.085326
+    0SOL     H3    3   0.089692   0.027470   0.019054
+    1SOL     O4    4   0.142606   0.330021  -0.082433
+    1SOL     H5    5   0.213758   0.342585  -0.019649
+    1SOL     H6    6   0.155907   0.398644  -0.147827
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/218/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062123  -0.059960   0.041327
+    0SOL     H3    3  -0.032817   0.087263   0.021691
+    1SOL     O4    4  -0.193432  -0.152006   0.107297
+    1SOL     H5    5  -0.200384  -0.247380   0.103063
+    1SOL     H6    6  -0.177406  -0.133194   0.199772
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/219/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059583   0.055903  -0.049870
+    0SOL     H3    3   0.087428   0.027165  -0.027941
+    1SOL     O4    4  -0.306740   0.054391   0.089052
+    1SOL     H5    5  -0.369018   0.005781   0.143098
+    1SOL     H6    6  -0.319283   0.019571   0.000776
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/220/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049461   0.021700   0.079026
+    0SOL     H3    3   0.012216   0.075570  -0.057465
+    1SOL     O4    4   0.149905  -0.272479   0.065250
+    1SOL     H5    5   0.204078  -0.193814   0.058983
+    1SOL     H6    6   0.182499  -0.317939   0.142925
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/221/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066155   0.042224  -0.054799
+    0SOL     H3    3  -0.000175   0.050996   0.081004
+    1SOL     O4    4  -0.180485   0.183400  -0.099058
+    1SOL     H5    5  -0.137915   0.103829  -0.067141
+    1SOL     H6    6  -0.270084   0.156309  -0.119068
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/222/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017288  -0.078091  -0.052585
+    0SOL     H3    3  -0.023652  -0.025415   0.089202
+    1SOL     O4    4   0.278386  -0.015848   0.004994
+    1SOL     H5    5   0.276357  -0.101491  -0.037708
+    1SOL     H6    6   0.186621   0.011056   0.009192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/223/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082818   0.041913  -0.023384
+    0SOL     H3    3  -0.066721   0.065382  -0.020876
+    1SOL     O4    4  -0.172275   0.183800  -0.093234
+    1SOL     H5    5  -0.267841   0.187687  -0.089447
+    1SOL     H6    6  -0.152059   0.180965  -0.186752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/224/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025709  -0.083751  -0.038564
+    0SOL     H3    3  -0.095481  -0.004289   0.005231
+    1SOL     O4    4   0.037939  -0.309361   0.159932
+    1SOL     H5    5   0.031869  -0.294411   0.065582
+    1SOL     H6    6   0.131929  -0.310969   0.177977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/225/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091861   0.002508  -0.026788
+    0SOL     H3    3  -0.047407  -0.025372  -0.079190
+    1SOL     O4    4  -0.063171   0.266316  -0.193169
+    1SOL     H5    5  -0.153927   0.269633  -0.162928
+    1SOL     H6    6  -0.011154   0.264614  -0.112834
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/226/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083711   0.023745  -0.039886
+    0SOL     H3    3  -0.017674   0.070394   0.062407
+    1SOL     O4    4   0.011129   0.184096   0.192460
+    1SOL     H5    5   0.073964   0.163299   0.261609
+    1SOL     H6    6  -0.001019   0.278832   0.198771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/227/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051463   0.013701   0.079537
+    0SOL     H3    3   0.045573   0.050798  -0.067119
+    1SOL     O4    4   0.169244  -0.046494   0.232375
+    1SOL     H5    5   0.244743  -0.060078   0.175124
+    1SOL     H6    6   0.184525  -0.105044   0.306543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/228/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016221   0.094287  -0.003023
+    0SOL     H3    3  -0.090745  -0.009678  -0.028880
+    1SOL     O4    4  -0.001044  -0.215999   0.196328
+    1SOL     H5    5   0.033941  -0.144179   0.143601
+    1SOL     H6    6  -0.002793  -0.290883   0.136733
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/229/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032935   0.084750   0.029916
+    0SOL     H3    3   0.094871   0.011603  -0.005212
+    1SOL     O4    4  -0.149103   0.175166   0.149420
+    1SOL     H5    5  -0.233889   0.150647   0.112372
+    1SOL     H6    6  -0.139389   0.119033   0.226343
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/230/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054400  -0.007074   0.078441
+    0SOL     H3    3  -0.033515   0.077220  -0.045564
+    1SOL     O4    4  -0.200371   0.178708  -0.101364
+    1SOL     H5    5  -0.177062   0.159282  -0.192147
+    1SOL     H6    6  -0.208330   0.274054  -0.098506
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/231/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077099  -0.017171   0.054066
+    0SOL     H3    3   0.029829   0.063893  -0.064732
+    1SOL     O4    4  -0.148595  -0.359001   0.064435
+    1SOL     H5    5  -0.165183  -0.427171  -0.000681
+    1SOL     H6    6  -0.053546  -0.359235   0.075745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/232/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017652   0.071433  -0.061221
+    0SOL     H3    3  -0.095250  -0.000517   0.009456
+    1SOL     O4    4   0.144767  -0.204471  -0.133383
+    1SOL     H5    5   0.082046  -0.177792  -0.066178
+    1SOL     H6    6   0.147644  -0.299934  -0.126982
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/233/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007171  -0.073900   0.060413
+    0SOL     H3    3   0.069213  -0.025503  -0.061004
+    1SOL     O4    4  -0.113703  -0.307833  -0.074404
+    1SOL     H5    5  -0.145511  -0.313406  -0.164512
+    1SOL     H6    6  -0.157876  -0.379520  -0.028884
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/234/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074975  -0.039853   0.044190
+    0SOL     H3    3  -0.001000  -0.037924  -0.087881
+    1SOL     O4    4  -0.133290   0.104041  -0.305566
+    1SOL     H5    5  -0.042790   0.131486  -0.320356
+    1SOL     H6    6  -0.174356   0.178988  -0.262452
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/235/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092835   0.005496   0.022667
+    0SOL     H3    3   0.030994  -0.078765   0.044696
+    1SOL     O4    4   0.173920  -0.162710   0.140094
+    1SOL     H5    5   0.268932  -0.154936   0.131455
+    1SOL     H6    6   0.157635  -0.154719   0.234079
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/236/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078840   0.008962   0.053537
+    0SOL     H3    3   0.013510   0.060503  -0.072932
+    1SOL     O4    4  -0.020176  -0.188972  -0.228843
+    1SOL     H5    5   0.043916  -0.136538  -0.276857
+    1SOL     H6    6  -0.026857  -0.146365  -0.143390
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/237/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073162  -0.029313  -0.054318
+    0SOL     H3    3  -0.004311  -0.055356   0.077970
+    1SOL     O4    4  -0.007365   0.281122   0.008219
+    1SOL     H5    5  -0.026127   0.190514   0.032722
+    1SOL     H6    6  -0.028835   0.332055   0.086367
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/238/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070944   0.038641   0.051343
+    0SOL     H3    3   0.079788   0.025449   0.046353
+    1SOL     O4    4   0.303463  -0.182533   0.111707
+    1SOL     H5    5   0.225105  -0.178178   0.166509
+    1SOL     H6    6   0.282328  -0.247577   0.044738
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/239/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021870   0.073345   0.057485
+    0SOL     H3    3   0.095410   0.002764  -0.007190
+    1SOL     O4    4   0.144232   0.269728   0.079993
+    1SOL     H5    5   0.228226   0.292102   0.039909
+    1SOL     H6    6   0.079690   0.286197   0.011251
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/240/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023936   0.076950  -0.051654
+    0SOL     H3    3  -0.057141   0.003857   0.076696
+    1SOL     O4    4  -0.043535  -0.266839   0.145037
+    1SOL     H5    5  -0.020634  -0.320490   0.220928
+    1SOL     H6    6   0.004489  -0.306408   0.072303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/241/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011567  -0.077996  -0.054269
+    0SOL     H3    3  -0.006765  -0.033708   0.089333
+    1SOL     O4    4   0.104013  -0.186653  -0.241468
+    1SOL     H5    5   0.121097  -0.277047  -0.267914
+    1SOL     H6    6   0.178086  -0.137045  -0.276316
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/242/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067831   0.015655  -0.065698
+    0SOL     H3    3  -0.081647  -0.002396  -0.049904
+    1SOL     O4    4  -0.158288  -0.327511  -0.060728
+    1SOL     H5    5  -0.191360  -0.412828  -0.032630
+    1SOL     H6    6  -0.190770  -0.266259   0.005267
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/243/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069650   0.032710   0.056932
+    0SOL     H3    3  -0.080928   0.020899   0.046650
+    1SOL     O4    4  -0.098235  -0.158785  -0.219662
+    1SOL     H5    5  -0.104508  -0.086911  -0.156756
+    1SOL     H6    6  -0.004482  -0.167478  -0.236899
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/244/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014518  -0.091634  -0.023552
+    0SOL     H3    3   0.005178   0.045809  -0.083887
+    1SOL     O4    4   0.157685   0.173369   0.115419
+    1SOL     H5    5   0.120543   0.184072   0.202988
+    1SOL     H6    6   0.105915   0.103282   0.075796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/245/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035281   0.024947   0.085412
+    0SOL     H3    3   0.090436   0.031335   0.001309
+    1SOL     O4    4   0.079440  -0.109376  -0.292480
+    1SOL     H5    5   0.109345  -0.130134  -0.381008
+    1SOL     H6    6   0.141660  -0.043861  -0.260876
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/246/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081882  -0.009739  -0.048608
+    0SOL     H3    3   0.067088   0.009362  -0.067630
+    1SOL     O4    4  -0.191303   0.000042  -0.194325
+    1SOL     H5    5  -0.180321   0.074743  -0.253160
+    1SOL     H6    6  -0.286105  -0.009950  -0.185662
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/247/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048363  -0.058763   0.058054
+    0SOL     H3    3  -0.005078  -0.041701  -0.086009
+    1SOL     O4    4  -0.016701   0.257741   0.014184
+    1SOL     H5    5   0.065987   0.279943   0.056986
+    1SOL     H6    6  -0.011886   0.163160   0.000272
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/248/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013347   0.031410   0.089429
+    0SOL     H3    3   0.085244  -0.043479   0.002306
+    1SOL     O4    4  -0.148769  -0.217563   0.175956
+    1SOL     H5    5  -0.072606  -0.181705   0.130396
+    1SOL     H6    6  -0.138028  -0.312468   0.169638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/249/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062021  -0.037990   0.062229
+    0SOL     H3    3  -0.015037  -0.048195  -0.081324
+    1SOL     O4    4  -0.102825   0.165749   0.299509
+    1SOL     H5    5  -0.141129   0.088621   0.341299
+    1SOL     H6    6  -0.010154   0.162364   0.323233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/250/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006941   0.077916   0.055166
+    0SOL     H3    3  -0.005600  -0.072804   0.061891
+    1SOL     O4    4  -0.017578   0.171654   0.215811
+    1SOL     H5    5  -0.023777   0.266142   0.229805
+    1SOL     H6    6  -0.094559   0.135756   0.259943
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/251/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061451  -0.042961   0.059502
+    0SOL     H3    3  -0.022342  -0.034372  -0.086497
+    1SOL     O4    4  -0.010324  -0.159190  -0.228137
+    1SOL     H5    5  -0.007658  -0.227661  -0.161303
+    1SOL     H6    6   0.056758  -0.184808  -0.291430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/252/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092502  -0.024387   0.003311
+    0SOL     H3    3   0.023726   0.016587   0.091237
+    1SOL     O4    4  -0.273777  -0.021371   0.026464
+    1SOL     H5    5  -0.297267  -0.080145   0.098270
+    1SOL     H6    6  -0.330112  -0.048375  -0.046059
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/253/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015376   0.093961   0.009864
+    0SOL     H3    3  -0.071926  -0.019001   0.060232
+    1SOL     O4    4   0.017259  -0.139007  -0.228343
+    1SOL     H5    5   0.013218  -0.213992  -0.168986
+    1SOL     H6    6   0.002753  -0.062994  -0.172005
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/254/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043633   0.075528   0.039421
+    0SOL     H3    3  -0.056984  -0.025454  -0.072576
+    1SOL     O4    4  -0.196050   0.008598  -0.215099
+    1SOL     H5    5  -0.201011  -0.055397  -0.286108
+    1SOL     H6    6  -0.184436   0.092683  -0.259339
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/255/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013389  -0.078633   0.052915
+    0SOL     H3    3  -0.070972  -0.001904  -0.064201
+    1SOL     O4    4  -0.004027  -0.191072   0.225022
+    1SOL     H5    5  -0.087294  -0.168496   0.266487
+    1SOL     H6    6   0.061499  -0.141700   0.274327
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/256/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075394   0.045210  -0.037870
+    0SOL     H3    3   0.004640   0.032303   0.089985
+    1SOL     O4    4   0.010494   0.150928   0.242203
+    1SOL     H5    5   0.091902   0.170559   0.288568
+    1SOL     H6    6  -0.012581   0.232887   0.198471
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/257/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017962  -0.074455  -0.057412
+    0SOL     H3    3   0.065842  -0.006595   0.069164
+    1SOL     O4    4  -0.129630  -0.319832  -0.086963
+    1SOL     H5    5  -0.207743  -0.305807  -0.033447
+    1SOL     H6    6  -0.124941  -0.242580  -0.143288
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/258/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004110  -0.030573   0.090613
+    0SOL     H3    3   0.006680   0.095224   0.007081
+    1SOL     O4    4   0.091488   0.077873  -0.275332
+    1SOL     H5    5  -0.004152   0.079393  -0.271726
+    1SOL     H6    6   0.119145   0.091968  -0.184785
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/259/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084933  -0.027786  -0.034303
+    0SOL     H3    3  -0.001366   0.095456  -0.006970
+    1SOL     O4    4   0.039554   0.280059  -0.017056
+    1SOL     H5    5  -0.038001   0.319491  -0.056964
+    1SOL     H6    6   0.035705   0.307084   0.074689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/260/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079990  -0.015860   0.050124
+    0SOL     H3    3   0.019089   0.092750   0.013981
+    1SOL     O4    4  -0.120450   0.136820  -0.289531
+    1SOL     H5    5  -0.024931   0.143016  -0.289606
+    1SOL     H6    6  -0.150314   0.226626  -0.275204
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/261/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095302  -0.008799  -0.001561
+    0SOL     H3    3  -0.024537   0.011597  -0.091792
+    1SOL     O4    4  -0.136428   0.049362  -0.211770
+    1SOL     H5    5  -0.210746   0.017355  -0.160636
+    1SOL     H6    6  -0.122367  -0.017928  -0.278379
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/262/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060906   0.073829   0.001424
+    0SOL     H3    3   0.010893  -0.041750   0.085444
+    1SOL     O4    4  -0.112142   0.165673  -0.283567
+    1SOL     H5    5  -0.113576   0.206774  -0.197132
+    1SOL     H6    6  -0.035631   0.203527  -0.326875
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/263/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066620  -0.010208   0.067969
+    0SOL     H3    3   0.008127  -0.087077  -0.038909
+    1SOL     O4    4   0.316709   0.117123  -0.072260
+    1SOL     H5    5   0.328464   0.187976  -0.135537
+    1SOL     H6    6   0.241775   0.144412  -0.019321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/264/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049124   0.040814  -0.071297
+    0SOL     H3    3   0.002969  -0.093693  -0.019370
+    1SOL     O4    4   0.290149  -0.141860  -0.109077
+    1SOL     H5    5   0.370526  -0.145437  -0.160934
+    1SOL     H6    6   0.292769  -0.056105  -0.066632
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/265/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007850   0.090062  -0.031456
+    0SOL     H3    3  -0.002259  -0.053431  -0.079387
+    1SOL     O4    4   0.009481   0.149682  -0.269207
+    1SOL     H5    5   0.095934   0.116977  -0.294077
+    1SOL     H6    6   0.022723   0.243224  -0.253817
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/266/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003331  -0.058223   0.075903
+    0SOL     H3    3   0.012285   0.087314   0.037251
+    1SOL     O4    4   0.012110   0.258532  -0.013254
+    1SOL     H5    5   0.093995   0.300153  -0.040178
+    1SOL     H6    6  -0.000795   0.287212   0.077151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/267/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028756   0.079948   0.044089
+    0SOL     H3    3   0.011428  -0.063577   0.070637
+    1SOL     O4    4  -0.315412   0.128206   0.055161
+    1SOL     H5    5  -0.237355   0.162112   0.011346
+    1SOL     H6    6  -0.305032   0.033089   0.052476
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/268/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001358   0.095690  -0.001989
+    0SOL     H3    3  -0.021359  -0.026171  -0.089561
+    1SOL     O4    4  -0.176663  -0.215922   0.134447
+    1SOL     H5    5  -0.168999  -0.133416   0.086527
+    1SOL     H6    6  -0.137467  -0.197791   0.219871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/269/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082203  -0.014087  -0.046973
+    0SOL     H3    3   0.023091   0.059250   0.071544
+    1SOL     O4    4   0.013453   0.186359   0.224532
+    1SOL     H5    5   0.077763   0.136424   0.274861
+    1SOL     H6    6   0.031076   0.277717   0.247013
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/270/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007558  -0.046681  -0.083223
+    0SOL     H3    3  -0.007703   0.092136  -0.024778
+    1SOL     O4    4   0.302928  -0.034137  -0.120055
+    1SOL     H5    5   0.212949  -0.018437  -0.148683
+    1SOL     H6    6   0.307592   0.005187  -0.032910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/271/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005337   0.000477  -0.095570
+    0SOL     H3    3  -0.052321  -0.077428   0.020729
+    1SOL     O4    4   0.116576   0.105856  -0.238380
+    1SOL     H5    5   0.024295   0.119673  -0.217037
+    1SOL     H6    6   0.164167   0.159427  -0.174916
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/272/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079954  -0.038703  -0.035663
+    0SOL     H3    3   0.070964  -0.049322  -0.041156
+    1SOL     O4    4  -0.262359  -0.016487   0.141753
+    1SOL     H5    5  -0.343521   0.024380   0.171837
+    1SOL     H6    6  -0.192912   0.034682   0.183241
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/273/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021041  -0.086706  -0.034664
+    0SOL     H3    3   0.091667  -0.006462   0.026791
+    1SOL     O4    4  -0.177239  -0.198563  -0.086676
+    1SOL     H5    5  -0.257444  -0.169794  -0.043065
+    1SOL     H6    6  -0.182059  -0.294149  -0.085160
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/274/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008674   0.052755   0.079398
+    0SOL     H3    3   0.052839   0.053832  -0.058928
+    1SOL     O4    4   0.148918   0.170861  -0.152080
+    1SOL     H5    5   0.242985   0.158511  -0.139379
+    1SOL     H6    6   0.128255   0.250234  -0.102730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/275/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065381  -0.038574  -0.058307
+    0SOL     H3    3   0.019293  -0.037582   0.085894
+    1SOL     O4    4   0.033112  -0.168908   0.219619
+    1SOL     H5    5   0.010409  -0.241848   0.161942
+    1SOL     H6    6   0.016548  -0.202048   0.307878
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/276/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068508  -0.043330   0.050906
+    0SOL     H3    3  -0.044749   0.031502  -0.078533
+    1SOL     O4    4  -0.174455   0.223365   0.121283
+    1SOL     H5    5  -0.156579   0.178452   0.203899
+    1SOL     H6    6  -0.090005   0.225312   0.076263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/277/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004000  -0.039292   0.087192
+    0SOL     H3    3  -0.068247  -0.045030  -0.049769
+    1SOL     O4    4  -0.295741   0.114249  -0.058359
+    1SOL     H5    5  -0.219917   0.110422  -0.116656
+    1SOL     H6    6  -0.277295   0.187672   0.000216
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/278/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092515  -0.005493   0.023939
+    0SOL     H3    3   0.014141   0.092515  -0.020083
+    1SOL     O4    4   0.042612  -0.185569  -0.209060
+    1SOL     H5    5   0.045023  -0.275707  -0.176942
+    1SOL     H6    6   0.025237  -0.132780  -0.131126
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/279/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035506   0.040313   0.079224
+    0SOL     H3    3  -0.074613   0.055119  -0.023604
+    1SOL     O4    4   0.004435   0.216878   0.189644
+    1SOL     H5    5   0.013866   0.267267   0.108808
+    1SOL     H6    6  -0.055195   0.268879   0.243519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/280/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077797   0.054120   0.013451
+    0SOL     H3    3  -0.035160   0.029016  -0.084167
+    1SOL     O4    4   0.168304   0.190722   0.116455
+    1SOL     H5    5   0.258699   0.174792   0.143607
+    1SOL     H6    6   0.118174   0.189430   0.197988
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/281/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002951  -0.095025  -0.011133
+    0SOL     H3    3   0.028799   0.012689   0.090399
+    1SOL     O4    4   0.127707   0.018905   0.291699
+    1SOL     H5    5   0.054348  -0.042575   0.290728
+    1SOL     H6    6   0.086578   0.105339   0.292003
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/282/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095547   0.005383   0.002049
+    0SOL     H3    3  -0.029305   0.072309   0.055452
+    1SOL     O4    4  -0.189431   0.143399   0.156743
+    1SOL     H5    5  -0.210525   0.235674   0.170985
+    1SOL     H6    6  -0.200485   0.102715   0.242678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/283/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055145  -0.075279   0.021318
+    0SOL     H3    3  -0.025756   0.067242   0.063067
+    1SOL     O4    4  -0.141776   0.083366  -0.214732
+    1SOL     H5    5  -0.190281   0.159374  -0.182603
+    1SOL     H6    6  -0.100913   0.046180  -0.136568
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/284/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042362   0.023289  -0.082616
+    0SOL     H3    3  -0.044429  -0.082783  -0.018313
+    1SOL     O4    4   0.130865   0.132438  -0.194028
+    1SOL     H5    5   0.225533   0.146585  -0.193628
+    1SOL     H6    6   0.108995   0.119023  -0.286245
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/285/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010165  -0.015374  -0.093929
+    0SOL     H3    3  -0.027402   0.091482   0.006517
+    1SOL     O4    4   0.108165   0.209591   0.283099
+    1SOL     H5    5   0.161310   0.259464   0.345152
+    1SOL     H6    6   0.163411   0.201381   0.205363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/286/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052932  -0.046590  -0.064730
+    0SOL     H3    3   0.001982   0.091320  -0.028619
+    1SOL     O4    4   0.130928  -0.180192  -0.145919
+    1SOL     H5    5   0.140637  -0.138052  -0.231314
+    1SOL     H6    6   0.166085  -0.268326  -0.158513
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/287/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017266   0.006571   0.093920
+    0SOL     H3    3  -0.002601  -0.094090  -0.017397
+    1SOL     O4    4  -0.317377  -0.098360  -0.077682
+    1SOL     H5    5  -0.330785  -0.148413   0.002799
+    1SOL     H6    6  -0.314466  -0.007091  -0.048979
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/288/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063887  -0.035966   0.061541
+    0SOL     H3    3  -0.008594   0.094888   0.009205
+    1SOL     O4    4  -0.016728  -0.167980  -0.242727
+    1SOL     H5    5  -0.099774  -0.161262  -0.289850
+    1SOL     H6    6  -0.016018  -0.092080  -0.184410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/289/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070519  -0.021550  -0.061033
+    0SOL     H3    3   0.008099   0.094392   0.013668
+    1SOL     O4    4  -0.291673   0.119883  -0.027169
+    1SOL     H5    5  -0.203227   0.119713  -0.063769
+    1SOL     H6    6  -0.287042   0.059632   0.047065
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/290/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068640   0.038249   0.054662
+    0SOL     H3    3  -0.006342   0.047212  -0.083025
+    1SOL     O4    4  -0.018717   0.187694  -0.243876
+    1SOL     H5    5  -0.099623   0.191807  -0.294864
+    1SOL     H6    6   0.051085   0.192390  -0.309205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/291/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029365   0.003608  -0.091033
+    0SOL     H3    3   0.046378  -0.075006   0.037222
+    1SOL     O4    4   0.140626  -0.218213   0.141659
+    1SOL     H5    5   0.156681  -0.307094   0.109963
+    1SOL     H6    6   0.222692  -0.192541   0.183713
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/292/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037345   0.082357   0.031385
+    0SOL     H3    3  -0.033839  -0.066208   0.060280
+    1SOL     O4    4   0.106344  -0.309773   0.103675
+    1SOL     H5    5   0.125841  -0.387371   0.156217
+    1SOL     H6    6   0.116384  -0.236501   0.164442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/293/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077790  -0.002774  -0.055708
+    0SOL     H3    3   0.019640   0.067159   0.065316
+    1SOL     O4    4  -0.146579   0.268576  -0.038776
+    1SOL     H5    5  -0.191114   0.289385  -0.120909
+    1SOL     H6    6  -0.188907   0.324544   0.026325
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/294/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062731  -0.070405  -0.016437
+    0SOL     H3    3   0.027218  -0.012838   0.090866
+    1SOL     O4    4   0.036676   0.284918  -0.038989
+    1SOL     H5    5   0.032158   0.189916  -0.028191
+    1SOL     H6    6   0.027998   0.319603   0.049803
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/295/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013595   0.057954   0.074959
+    0SOL     H3    3   0.065319   0.027986  -0.064129
+    1SOL     O4    4  -0.295226  -0.188334  -0.079338
+    1SOL     H5    5  -0.316188  -0.233033   0.002668
+    1SOL     H6    6  -0.379733  -0.177225  -0.122897
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/296/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053599  -0.052788  -0.059186
+    0SOL     H3    3  -0.032176   0.089379  -0.011766
+    1SOL     O4    4   0.180020   0.333251  -0.094826
+    1SOL     H5    5   0.267524   0.359216  -0.065994
+    1SOL     H6    6   0.135669   0.305310  -0.014734
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/297/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031305   0.012636  -0.089569
+    0SOL     H3    3   0.050579  -0.074336   0.032838
+    1SOL     O4    4  -0.084336   0.138769   0.292781
+    1SOL     H5    5  -0.094500   0.045137   0.275688
+    1SOL     H6    6  -0.118222   0.181356   0.214039
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/298/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094258   0.002036  -0.016540
+    0SOL     H3    3  -0.038111   0.050055  -0.072142
+    1SOL     O4    4  -0.167935  -0.190058  -0.176812
+    1SOL     H5    5  -0.080859  -0.169774  -0.142627
+    1SOL     H6    6  -0.227268  -0.135362  -0.125331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/299/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021392  -0.041519   0.083552
+    0SOL     H3    3   0.000457   0.093769   0.019220
+    1SOL     O4    4  -0.021877   0.202329   0.230931
+    1SOL     H5    5  -0.102693   0.165162   0.266283
+    1SOL     H6    6  -0.033562   0.297008   0.238778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/300/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017673   0.093933   0.005157
+    0SOL     H3    3  -0.010038  -0.027569   0.091113
+    1SOL     O4    4  -0.002974  -0.176120   0.200521
+    1SOL     H5    5  -0.079104  -0.166914   0.257808
+    1SOL     H6    6  -0.028302  -0.243678   0.137619
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/301/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000860   0.019219   0.093767
+    0SOL     H3    3  -0.020280  -0.093383  -0.005544
+    1SOL     O4    4  -0.238324  -0.169772  -0.218432
+    1SOL     H5    5  -0.144738  -0.158417  -0.235018
+    1SOL     H6    6  -0.277888  -0.173213  -0.305525
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/302/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086530   0.037557   0.016259
+    0SOL     H3    3  -0.022308   0.028582  -0.088587
+    1SOL     O4    4  -0.120345  -0.148805  -0.250155
+    1SOL     H5    5  -0.203276  -0.164529  -0.295296
+    1SOL     H6    6  -0.109427  -0.053738  -0.252440
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/303/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006562  -0.065495  -0.069496
+    0SOL     H3    3  -0.062547  -0.037183   0.062191
+    1SOL     O4    4   0.021464  -0.162865  -0.211031
+    1SOL     H5    5   0.104077  -0.130757  -0.247178
+    1SOL     H6    6   0.023669  -0.257326  -0.226348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/304/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070599  -0.025904  -0.059220
+    0SOL     H3    3   0.073597  -0.056131  -0.024396
+    1SOL     O4    4  -0.048228  -0.164885   0.202597
+    1SOL     H5    5   0.002663  -0.167743   0.283617
+    1SOL     H6    6  -0.013892  -0.089048   0.155352
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/305/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018805  -0.043762   0.083028
+    0SOL     H3    3   0.094358  -0.010755  -0.011965
+    1SOL     O4    4  -0.180184  -0.063130   0.198423
+    1SOL     H5    5  -0.170225  -0.144590   0.247692
+    1SOL     H6    6  -0.253549  -0.079708   0.139219
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/306/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066186   0.055407  -0.041373
+    0SOL     H3    3   0.038231   0.055168   0.068243
+    1SOL     O4    4  -0.043181  -0.279149   0.048111
+    1SOL     H5    5  -0.062303  -0.321369  -0.035640
+    1SOL     H6    6  -0.014511  -0.190924   0.024518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/307/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009425  -0.047537   0.082545
+    0SOL     H3    3   0.047755   0.081797   0.013824
+    1SOL     O4    4  -0.012353   0.110073  -0.296745
+    1SOL     H5    5   0.077973   0.141521  -0.300545
+    1SOL     H6    6  -0.056010   0.169761  -0.235968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/308/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087975   0.022568  -0.030222
+    0SOL     H3    3  -0.009865  -0.092658  -0.021896
+    1SOL     O4    4  -0.039166   0.066870   0.240552
+    1SOL     H5    5  -0.012424   0.040723   0.152441
+    1SOL     H6    6   0.043095   0.079601   0.287812
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/309/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003357  -0.043323  -0.085289
+    0SOL     H3    3   0.020076   0.091370  -0.020268
+    1SOL     O4    4   0.268232   0.153041   0.065545
+    1SOL     H5    5   0.278436   0.225641   0.004002
+    1SOL     H6    6   0.293447   0.075437   0.015505
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/310/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073059   0.033385  -0.052059
+    0SOL     H3    3  -0.005580   0.047908   0.082680
+    1SOL     O4    4   0.148260  -0.129422   0.250115
+    1SOL     H5    5   0.156131  -0.086629   0.335374
+    1SOL     H6    6   0.198896  -0.210162   0.259022
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+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/311/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.009966  -0.065531   0.069056
+    0SOL     H3    3   0.077596  -0.011047  -0.054947
+    1SOL     O4    4  -0.001483  -0.188484   0.205963
+    1SOL     H5    5  -0.076902  -0.188113   0.264904
+    1SOL     H6    6  -0.018808  -0.260449   0.145273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/312/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059504   0.030605  -0.068447
+    0SOL     H3    3   0.002064  -0.095418  -0.007309
+    1SOL     O4    4  -0.315319   0.050520   0.118076
+    1SOL     H5    5  -0.340034   0.017732   0.031610
+    1SOL     H6    6  -0.249957  -0.011888   0.149625
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/313/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093687  -0.016375   0.010811
+    0SOL     H3    3   0.039155  -0.029443   0.082234
+    1SOL     O4    4  -0.008569   0.266791   0.022946
+    1SOL     H5    5  -0.084349   0.287427   0.077662
+    1SOL     H6    6  -0.014255   0.172304   0.008723
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/314/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071134   0.012903   0.062736
+    0SOL     H3    3  -0.079701   0.016635   0.050332
+    1SOL     O4    4   0.020403  -0.170072  -0.235167
+    1SOL     H5    5  -0.003082  -0.259687  -0.211088
+    1SOL     H6    6   0.032225  -0.125061  -0.151522
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/315/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052033   0.071313   0.037006
+    0SOL     H3    3  -0.012154   0.008013  -0.094607
+    1SOL     O4    4  -0.118120   0.070075  -0.262485
+    1SOL     H5    5  -0.205753   0.031687  -0.259489
+    1SOL     H6    6  -0.061611  -0.001376  -0.291874
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/316/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001043  -0.080994   0.051002
+    0SOL     H3    3   0.092915   0.019896  -0.011545
+    1SOL     O4    4  -0.184715   0.172473   0.100593
+    1SOL     H5    5  -0.109543   0.132513   0.056836
+    1SOL     H6    6  -0.159110   0.263768   0.113705
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/317/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077102   0.020211   0.053002
+    0SOL     H3    3   0.007619  -0.095329   0.004092
+    1SOL     O4    4  -0.045243  -0.249933   0.049595
+    1SOL     H5    5  -0.121196  -0.301011   0.077602
+    1SOL     H6    6   0.030191  -0.301841   0.077478
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/318/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047389  -0.072690  -0.040408
+    0SOL     H3    3  -0.089839  -0.009354  -0.031682
+    1SOL     O4    4  -0.109804  -0.287439  -0.059143
+    1SOL     H5    5  -0.035785  -0.297618   0.000689
+    1SOL     H6    6  -0.186748  -0.286624  -0.002210
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033948   0.068950  -0.057058
+    0SOL     H3    3  -0.001891  -0.078976  -0.054051
+    1SOL     O4    4  -0.212629   0.025916   0.195946
+    1SOL     H5    5  -0.208661  -0.052976   0.250008
+    1SOL     H6    6  -0.145949   0.012266   0.128642
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/320/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047010   0.055861   0.061903
+    0SOL     H3    3  -0.092263   0.021708   0.013367
+    1SOL     O4    4  -0.118856   0.152451   0.288022
+    1SOL     H5    5  -0.201335   0.184936   0.324138
+    1SOL     H6    6  -0.052709   0.178361   0.352175
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019293   0.093359   0.008610
+    0SOL     H3    3   0.075287  -0.035827  -0.047016
+    1SOL     O4    4   0.026779   0.274508  -0.128807
+    1SOL     H5    5   0.120511   0.268100  -0.147125
+    1SOL     H6    6  -0.013060   0.206886  -0.183600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/322/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029331  -0.015380  -0.089808
+    0SOL     H3    3   0.045690  -0.066234   0.051844
+    1SOL     O4    4   0.121828  -0.166970   0.166250
+    1SOL     H5    5   0.118500  -0.200660   0.255784
+    1SOL     H6    6   0.193459  -0.215298   0.125071
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/323/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087007  -0.024291  -0.031656
+    0SOL     H3    3  -0.052286   0.010821  -0.079444
+    1SOL     O4    4  -0.158394  -0.314139  -0.045867
+    1SOL     H5    5  -0.195704  -0.226434  -0.037037
+    1SOL     H6    6  -0.064884  -0.299151  -0.059778
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/324/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.014286   0.053817  -0.077859
+    0SOL     H3    3   0.087315   0.024641   0.030516
+    1SOL     O4    4   0.321199   0.044995  -0.193850
+    1SOL     H5    5   0.301715   0.137422  -0.178360
+    1SOL     H6    6   0.365062   0.015983  -0.113871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/325/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023017  -0.092413  -0.009608
+    0SOL     H3    3   0.074221   0.012519  -0.059134
+    1SOL     O4    4  -0.017660  -0.264386  -0.003512
+    1SOL     H5    5   0.010175  -0.310988   0.075328
+    1SOL     H6    6  -0.095084  -0.312031  -0.033476
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/326/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095609  -0.001565  -0.004331
+    0SOL     H3    3  -0.027928  -0.067669  -0.061670
+    1SOL     O4    4  -0.165590  -0.149962  -0.188805
+    1SOL     H5    5  -0.132500  -0.097048  -0.261382
+    1SOL     H6    6  -0.236165  -0.201963  -0.227244
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/327/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032113  -0.002167  -0.090146
+    0SOL     H3    3   0.093141   0.020492  -0.008190
+    1SOL     O4    4   0.072817  -0.191890  -0.214082
+    1SOL     H5    5   0.022511  -0.254112  -0.266618
+    1SOL     H6    6   0.068904  -0.110038  -0.263552
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/328/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015835  -0.078575   0.052321
+    0SOL     H3    3   0.037621   0.071238   0.051693
+    1SOL     O4    4   0.140091  -0.046786  -0.235259
+    1SOL     H5    5   0.191125  -0.036118  -0.154984
+    1SOL     H6    6   0.048917  -0.041137  -0.206663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/329/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030697   0.040059  -0.081335
+    0SOL     H3    3   0.067164  -0.064637   0.021757
+    1SOL     O4    4   0.001614  -0.231645  -0.178910
+    1SOL     H5    5   0.094394  -0.254148  -0.171989
+    1SOL     H6    6   0.001123  -0.139062  -0.203209
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/330/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047664   0.031146   0.076944
+    0SOL     H3    3  -0.058988   0.017257  -0.073382
+    1SOL     O4    4  -0.190407   0.022374  -0.211888
+    1SOL     H5    5  -0.158992  -0.045333  -0.271814
+    1SOL     H6    6  -0.213494   0.095872  -0.268698
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/331/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089557   0.025261  -0.022443
+    0SOL     H3    3   0.001990  -0.094893  -0.012394
+    1SOL     O4    4   0.051949   0.176554   0.227455
+    1SOL     H5    5  -0.017820   0.151168   0.287871
+    1SOL     H6    6   0.054787   0.105845   0.162999
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/332/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048969  -0.058772  -0.057534
+    0SOL     H3    3  -0.091309  -0.026745  -0.010469
+    1SOL     O4    4   0.195342   0.219549   0.126659
+    1SOL     H5    5   0.267843   0.225648   0.188858
+    1SOL     H6    6   0.226942   0.264800   0.048454
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/333/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062660   0.069595  -0.019815
+    0SOL     H3    3   0.085587   0.042527  -0.005350
+    1SOL     O4    4  -0.314125  -0.022938  -0.163663
+    1SOL     H5    5  -0.266171  -0.105001  -0.152332
+    1SOL     H6    6  -0.405326  -0.049779  -0.174808
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/334/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058580  -0.074876   0.011150
+    0SOL     H3    3   0.036563   0.067755   0.056875
+    1SOL     O4    4   0.210975  -0.125549   0.125856
+    1SOL     H5    5   0.280408  -0.084520   0.074301
+    1SOL     H6    6   0.233533  -0.218569   0.126766
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/335/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087161   0.025375  -0.030353
+    0SOL     H3    3   0.005742  -0.094654   0.013038
+    1SOL     O4    4  -0.006373  -0.276205  -0.015831
+    1SOL     H5    5   0.022413  -0.323191   0.062438
+    1SOL     H6    6   0.060891  -0.295098  -0.081260
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/336/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.025938  -0.090877   0.015197
+    0SOL     H3    3   0.043370   0.023961  -0.081897
+    1SOL     O4    4   0.075238  -0.272599   0.029785
+    1SOL     H5    5   0.011661  -0.334775   0.065204
+    1SOL     H6    6   0.104292  -0.312173  -0.052386
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/337/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022780  -0.071949   0.058879
+    0SOL     H3    3   0.013190   0.078998   0.052417
+    1SOL     O4    4   0.187420  -0.053482  -0.205527
+    1SOL     H5    5   0.104308  -0.028804  -0.164959
+    1SOL     H6    6   0.244455  -0.075535  -0.131887
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/338/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094634   0.014237   0.002024
+    0SOL     H3    3   0.029252   0.020463   0.088814
+    1SOL     O4    4   0.041293   0.305687   0.151835
+    1SOL     H5    5   0.015548   0.218540   0.181917
+    1SOL     H6    6   0.136948   0.302999   0.149549
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/339/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035532  -0.004361  -0.088774
+    0SOL     H3    3  -0.094843   0.004020  -0.012283
+    1SOL     O4    4  -0.017489  -0.282093  -0.113877
+    1SOL     H5    5  -0.035893  -0.207489  -0.170955
+    1SOL     H6    6   0.074390  -0.271386  -0.089263
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/340/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028788  -0.067030  -0.061972
+    0SOL     H3    3   0.063104   0.071186  -0.010615
+    1SOL     O4    4   0.114999  -0.286934  -0.106970
+    1SOL     H5    5   0.164641  -0.291492  -0.025256
+    1SOL     H6    6   0.026856  -0.315661  -0.083136
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/341/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046309  -0.032587  -0.077174
+    0SOL     H3    3  -0.008357  -0.076426   0.057023
+    1SOL     O4    4   0.139657   0.067407  -0.290815
+    1SOL     H5    5   0.177582   0.146551  -0.329028
+    1SOL     H6    6   0.175214  -0.004121  -0.343556
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/342/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080081   0.005694   0.052124
+    0SOL     H3    3  -0.012476   0.063849  -0.070214
+    1SOL     O4    4  -0.039359  -0.127171  -0.243199
+    1SOL     H5    5   0.034073  -0.074996  -0.275568
+    1SOL     H6    6  -0.057244  -0.091939  -0.156015
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/343/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074191  -0.055829  -0.023264
+    0SOL     H3    3  -0.076610  -0.046855  -0.033133
+    1SOL     O4    4   0.286978  -0.037881   0.140586
+    1SOL     H5    5   0.370031  -0.009275   0.178618
+    1SOL     H6    6   0.275284   0.017956   0.063724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/344/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007495   0.056244  -0.077089
+    0SOL     H3    3   0.088085  -0.037014  -0.005771
+    1SOL     O4    4   0.117914   0.291768  -0.043602
+    1SOL     H5    5   0.050618   0.291090   0.024465
+    1SOL     H6    6   0.108764   0.207066  -0.087239
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/345/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033771   0.089429   0.004935
+    0SOL     H3    3   0.041455  -0.037041  -0.077922
+    1SOL     O4    4  -0.266315   0.003072  -0.035784
+    1SOL     H5    5  -0.171054   0.001995  -0.026486
+    1SOL     H6    6  -0.297628   0.047337   0.043099
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/346/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054336   0.049416  -0.061384
+    0SOL     H3    3  -0.005831   0.056044   0.077378
+    1SOL     O4    4  -0.213756   0.165586  -0.144757
+    1SOL     H5    5  -0.193413   0.091195  -0.088060
+    1SOL     H6    6  -0.303898   0.150242  -0.173064
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036575  -0.002591  -0.088419
+    0SOL     H3    3   0.090165  -0.030395  -0.010426
+    1SOL     O4    4  -0.220941   0.004789  -0.197931
+    1SOL     H5    5  -0.220747  -0.072620  -0.254234
+    1SOL     H6    6  -0.221164   0.078702  -0.258752
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059845  -0.016870   0.072776
+    0SOL     H3    3   0.023233  -0.065473  -0.065847
+    1SOL     O4    4  -0.038766   0.261431   0.020757
+    1SOL     H5    5  -0.110159   0.262645   0.084507
+    1SOL     H6    6  -0.034709   0.170545  -0.009003
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/349/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027219  -0.065078  -0.064702
+    0SOL     H3    3  -0.075079   0.008239   0.058801
+    1SOL     O4    4   0.125229   0.151779  -0.319763
+    1SOL     H5    5   0.179895   0.147948  -0.241281
+    1SOL     H6    6   0.035459   0.149719  -0.286606
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/350/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.043230  -0.070357  -0.048409
+    0SOL     H3    3   0.047462  -0.044723   0.070068
+    1SOL     O4    4   0.129973  -0.089624   0.244348
+    1SOL     H5    5   0.108220  -0.006568   0.286666
+    1SOL     H6    6   0.083308  -0.155625   0.295617
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048775  -0.051016  -0.064658
+    0SOL     H3    3   0.014091  -0.060618   0.072727
+    1SOL     O4    4  -0.002726  -0.171203   0.215692
+    1SOL     H5    5   0.072642  -0.133207   0.260838
+    1SOL     H6    6  -0.077589  -0.148893   0.271010
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+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/352/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056233  -0.002288  -0.077427
+    0SOL     H3    3  -0.026451  -0.076468   0.051139
+    1SOL     O4    4  -0.085821  -0.168543   0.201043
+    1SOL     H5    5  -0.091507  -0.104020   0.271518
+    1SOL     H6    6  -0.173232  -0.169249   0.162042
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088474  -0.031453  -0.018582
+    0SOL     H3    3   0.013164   0.080034   0.050829
+    1SOL     O4    4   0.110403   0.218437  -0.218419
+    1SOL     H5    5   0.049744   0.231027  -0.291386
+    1SOL     H6    6   0.133292   0.125562  -0.221990
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094269  -0.008658   0.014167
+    0SOL     H3    3   0.021764   0.086239   0.035376
+    1SOL     O4    4   0.190009   0.175762   0.196168
+    1SOL     H5    5   0.213015   0.143953   0.283469
+    1SOL     H6    6   0.202900   0.270488   0.200972
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015348  -0.035544   0.087541
+    0SOL     H3    3   0.070477  -0.053977  -0.035801
+    1SOL     O4    4  -0.076419  -0.155609   0.197517
+    1SOL     H5    5  -0.167047  -0.127258   0.209559
+    1SOL     H6    6  -0.039599  -0.156459   0.285868
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+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/356/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075756   0.013400   0.056955
+    0SOL     H3    3   0.051587  -0.067464   0.044156
+    1SOL     O4    4  -0.203484   0.112071   0.114637
+    1SOL     H5    5  -0.189995   0.162251   0.195026
+    1SOL     H6    6  -0.286976   0.143832   0.080246
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+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/357/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010569  -0.006925   0.094882
+    0SOL     H3    3   0.094075  -0.010139  -0.014472
+    1SOL     O4    4  -0.080413  -0.171146  -0.215609
+    1SOL     H5    5  -0.072499  -0.120207  -0.134956
+    1SOL     H6    6  -0.149843  -0.127415  -0.264898
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/358/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006886  -0.047389   0.082881
+    0SOL     H3    3  -0.082242  -0.018723  -0.045255
+    1SOL     O4    4   0.213691  -0.053609  -0.142523
+    1SOL     H5    5   0.189765  -0.145119  -0.127836
+    1SOL     H6    6   0.143366  -0.003492  -0.101231
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044552  -0.084686  -0.002379
+    0SOL     H3    3  -0.069137   0.062920   0.020578
+    1SOL     O4    4  -0.060075   0.248408  -0.341173
+    1SOL     H5    5  -0.143545   0.269910  -0.299548
+    1SOL     H6    6  -0.081351   0.178354  -0.402835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/360/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005395   0.095565  -0.000787
+    0SOL     H3    3  -0.092408  -0.018685   0.016550
+    1SOL     O4    4   0.161538  -0.030421   0.210986
+    1SOL     H5    5   0.085816  -0.022108   0.153025
+    1SOL     H6    6   0.158577   0.048037   0.265739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/361/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051332   0.078524  -0.019009
+    0SOL     H3    3   0.018178  -0.018850   0.092068
+    1SOL     O4    4   0.263176  -0.091050  -0.110170
+    1SOL     H5    5   0.260047  -0.022032  -0.043920
+    1SOL     H6    6   0.235639  -0.170117  -0.063776
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/362/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058028  -0.067391   0.035405
+    0SOL     H3    3  -0.064076   0.015387   0.069425
+    1SOL     O4    4  -0.227097  -0.022679   0.191878
+    1SOL     H5    5  -0.240451   0.020296   0.276359
+    1SOL     H6    6  -0.234504  -0.116163   0.211070
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/363/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041768   0.070725  -0.049150
+    0SOL     H3    3  -0.043837  -0.052906  -0.066645
+    1SOL     O4    4   0.262104  -0.061025   0.006109
+    1SOL     H5    5   0.310063  -0.030189   0.082995
+    1SOL     H6    6   0.171988  -0.032371   0.020951
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/364/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035835   0.037768  -0.080323
+    0SOL     H3    3  -0.068567   0.013314   0.065449
+    1SOL     O4    4  -0.028264  -0.286604   0.010049
+    1SOL     H5    5  -0.053169  -0.333102  -0.069826
+    1SOL     H6    6  -0.014844  -0.196095  -0.018064
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/365/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081847   0.010673  -0.048472
+    0SOL     H3    3   0.068568   0.013944  -0.065317
+    1SOL     O4    4   0.078320   0.211299   0.189941
+    1SOL     H5    5   0.014558   0.170004   0.131704
+    1SOL     H6    6   0.045744   0.300522   0.201786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/366/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077258  -0.044084  -0.035357
+    0SOL     H3    3  -0.011863  -0.003236   0.094927
+    1SOL     O4    4   0.015682  -0.056723   0.257063
+    1SOL     H5    5  -0.003966  -0.111012   0.333411
+    1SOL     H6    6   0.060748   0.019727   0.292934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/367/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041646  -0.011743   0.085382
+    0SOL     H3    3  -0.022316   0.093026  -0.003225
+    1SOL     O4    4  -0.298400   0.013508  -0.092150
+    1SOL     H5    5  -0.294295  -0.080869  -0.107596
+    1SOL     H6    6  -0.288620   0.022763   0.002618
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/368/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084934   0.039895   0.018890
+    0SOL     H3    3   0.059948   0.040312   0.062797
+    1SOL     O4    4  -0.251110   0.042525  -0.150948
+    1SOL     H5    5  -0.222237  -0.037023  -0.195678
+    1SOL     H6    6  -0.327371   0.071784  -0.200852
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/369/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011632  -0.009450   0.094539
+    0SOL     H3    3   0.019395   0.092880  -0.012628
+    1SOL     O4    4   0.122452   0.205069  -0.153189
+    1SOL     H5    5   0.127222   0.165914  -0.240403
+    1SOL     H6    6   0.147384   0.296515  -0.166540
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/370/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045361  -0.076421   0.035560
+    0SOL     H3    3  -0.092286  -0.025369  -0.001399
+    1SOL     O4    4   0.154285   0.015753  -0.218153
+    1SOL     H5    5   0.130659  -0.076398  -0.228752
+    1SOL     H6    6   0.108978   0.043124  -0.138400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/371/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017197  -0.083964   0.042621
+    0SOL     H3    3   0.060186  -0.021187  -0.071352
+    1SOL     O4    4   0.299634  -0.113260   0.075973
+    1SOL     H5    5   0.335009  -0.033550   0.036511
+    1SOL     H6    6   0.273332  -0.086771   0.164114
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/372/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091628   0.004300   0.027351
+    0SOL     H3    3   0.014052  -0.091982  -0.022451
+    1SOL     O4    4  -0.000588  -0.239051   0.197808
+    1SOL     H5    5   0.090398  -0.224935   0.223973
+    1SOL     H6    6  -0.048770  -0.167218   0.238807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/373/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055563  -0.028661  -0.072482
+    0SOL     H3    3   0.057053  -0.003423   0.076782
+    1SOL     O4    4   0.299207   0.074915  -0.093961
+    1SOL     H5    5   0.334008   0.134520  -0.160282
+    1SOL     H6    6   0.312079   0.121065  -0.011095
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/374/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050336  -0.064030   0.050287
+    0SOL     H3    3   0.088810  -0.006341   0.035141
+    1SOL     O4    4  -0.150117  -0.160518   0.166752
+    1SOL     H5    5  -0.149940  -0.226810   0.097704
+    1SOL     H6    6  -0.241189  -0.131514   0.171941
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/375/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079235   0.052152  -0.012820
+    0SOL     H3    3   0.028286  -0.073722   0.054105
+    1SOL     O4    4  -0.147221   0.134851   0.184876
+    1SOL     H5    5  -0.180706   0.215035   0.144731
+    1SOL     H6    6  -0.083286   0.101411   0.121976
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/376/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065553  -0.064633  -0.026224
+    0SOL     H3    3   0.083828  -0.040324  -0.022566
+    1SOL     O4    4   0.093453   0.264618   0.043463
+    1SOL     H5    5   0.048466   0.277430   0.126975
+    1SOL     H6    6   0.076130   0.173288   0.020636
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/377/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010258   0.039122   0.086756
+    0SOL     H3    3  -0.019005   0.074036  -0.057617
+    1SOL     O4    4   0.065582  -0.149497  -0.323372
+    1SOL     H5    5   0.103320  -0.070070  -0.285564
+    1SOL     H6    6  -0.029020  -0.137217  -0.315502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/378/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092067   0.018292  -0.018746
+    0SOL     H3    3  -0.038866   0.086065   0.015639
+    1SOL     O4    4  -0.098762  -0.270629  -0.159996
+    1SOL     H5    5  -0.023577  -0.268771  -0.100784
+    1SOL     H6    6  -0.071947  -0.216884  -0.234526
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005426  -0.023130  -0.092725
+    0SOL     H3    3   0.084845   0.043393   0.008984
+    1SOL     O4    4  -0.070442   0.004558  -0.297903
+    1SOL     H5    5  -0.082184  -0.046481  -0.378024
+    1SOL     H6    6   0.019171   0.037732  -0.303497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/380/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008814  -0.049751  -0.081298
+    0SOL     H3    3  -0.093694   0.018347   0.006871
+    1SOL     O4    4   0.173958   0.196806   0.090640
+    1SOL     H5    5   0.122275   0.146444   0.027753
+    1SOL     H6    6   0.264645   0.184232   0.062709
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095664  -0.000255   0.003267
+    0SOL     H3    3  -0.026802  -0.048799   0.077863
+    1SOL     O4    4  -0.218627   0.194177   0.117418
+    1SOL     H5    5  -0.287112   0.135784   0.084823
+    1SOL     H6    6  -0.138359   0.162497   0.075996
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015729   0.002259   0.094392
+    0SOL     H3    3   0.086088   0.015061  -0.039042
+    1SOL     O4    4  -0.165667   0.158739  -0.160167
+    1SOL     H5    5  -0.205413   0.209417  -0.089355
+    1SOL     H6    6  -0.122483   0.085602  -0.116026
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037582   0.067384   0.056651
+    0SOL     H3    3  -0.091939  -0.004836   0.026195
+    1SOL     O4    4   0.200860  -0.193429   0.149480
+    1SOL     H5    5   0.124842  -0.155302   0.105550
+    1SOL     H6    6   0.275225  -0.142454   0.117329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/384/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023158  -0.087218   0.031922
+    0SOL     H3    3  -0.087795  -0.010401  -0.036690
+    1SOL     O4    4  -0.117782   0.148756   0.216631
+    1SOL     H5    5  -0.119475   0.187998   0.129341
+    1SOL     H6    6  -0.076522   0.063351   0.203752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/385/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042038  -0.057047   0.064349
+    0SOL     H3    3   0.007709  -0.054077  -0.078604
+    1SOL     O4    4   0.014932  -0.182747  -0.210452
+    1SOL     H5    5  -0.059385  -0.149707  -0.260926
+    1SOL     H6    6  -0.023013  -0.248421  -0.152061
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/386/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085017   0.043199   0.008262
+    0SOL     H3    3  -0.018261   0.000732  -0.093959
+    1SOL     O4    4  -0.106720  -0.055421  -0.257138
+    1SOL     H5    5  -0.176763  -0.093370  -0.310206
+    1SOL     H6    6  -0.043477  -0.022389  -0.320945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/387/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042034  -0.001612  -0.085982
+    0SOL     H3    3   0.091188   0.022642  -0.018287
+    1SOL     O4    4  -0.191421  -0.007544  -0.197159
+    1SOL     H5    5  -0.213603  -0.033465  -0.286592
+    1SOL     H6    6  -0.241871   0.072401  -0.182131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/388/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036431   0.040250   0.078835
+    0SOL     H3    3   0.018497  -0.093383   0.009990
+    1SOL     O4    4   0.215134  -0.191836   0.199604
+    1SOL     H5    5   0.192748  -0.216871   0.109969
+    1SOL     H6    6   0.130719  -0.183121   0.243880
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/389/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030532  -0.073616   0.053017
+    0SOL     H3    3  -0.054196   0.073793   0.027924
+    1SOL     O4    4   0.267209   0.051704   0.017509
+    1SOL     H5    5   0.345877   0.000736   0.036898
+    1SOL     H6    6   0.194775  -0.004788   0.044422
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/390/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000573   0.094267   0.016605
+    0SOL     H3    3  -0.092135  -0.021163  -0.015022
+    1SOL     O4    4   0.367500  -0.038667  -0.092523
+    1SOL     H5    5   0.316821  -0.104773  -0.045365
+    1SOL     H6    6   0.372962  -0.071996  -0.182086
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/391/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078126  -0.001148  -0.055293
+    0SOL     H3    3  -0.005750   0.082642   0.047953
+    1SOL     O4    4  -0.172088  -0.082968  -0.236690
+    1SOL     H5    5  -0.266239  -0.065865  -0.239009
+    1SOL     H6    6  -0.152090  -0.118913  -0.323121
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/392/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050683  -0.053885   0.060746
+    0SOL     H3    3   0.002638  -0.048121  -0.082703
+    1SOL     O4    4  -0.134642   0.111812   0.325465
+    1SOL     H5    5  -0.158556   0.032027   0.372633
+    1SOL     H6    6  -0.177228   0.102960   0.240199
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/393/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093484   0.013869   0.015190
+    0SOL     H3    3   0.004017  -0.047892  -0.082780
+    1SOL     O4    4   0.067371   0.243153  -0.121551
+    1SOL     H5    5   0.001206   0.290899  -0.071503
+    1SOL     H6    6   0.058110   0.152265  -0.092986
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/394/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086538  -0.038570   0.013632
+    0SOL     H3    3  -0.015695   0.094419  -0.000996
+    1SOL     O4    4  -0.014510   0.259860  -0.060546
+    1SOL     H5    5  -0.091704   0.229162  -0.108097
+    1SOL     H6    6  -0.048898   0.292144   0.022746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/395/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039041  -0.037897  -0.078753
+    0SOL     H3    3  -0.060923  -0.022648   0.070269
+    1SOL     O4    4   0.272318   0.023369  -0.046096
+    1SOL     H5    5   0.180529   0.026488  -0.019127
+    1SOL     H6    6   0.282601   0.098173  -0.104926
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/396/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087037   0.031722  -0.024094
+    0SOL     H3    3  -0.037331   0.070346   0.053105
+    1SOL     O4    4  -0.112419   0.166113   0.175250
+    1SOL     H5    5  -0.204254   0.145487   0.192662
+    1SOL     H6    6  -0.113253   0.257690   0.147405
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/397/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083464   0.046852  -0.000976
+    0SOL     H3    3   0.016729  -0.079875  -0.050025
+    1SOL     O4    4   0.158075  -0.184763  -0.165809
+    1SOL     H5    5   0.203398  -0.126385  -0.226638
+    1SOL     H6    6   0.106052  -0.242235  -0.221960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/398/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067141  -0.022979  -0.064236
+    0SOL     H3    3  -0.072969   0.033119  -0.052355
+    1SOL     O4    4  -0.109496   0.109823   0.217523
+    1SOL     H5    5  -0.055743   0.120970   0.295936
+    1SOL     H6    6  -0.055948   0.056078   0.159159
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/399/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077548   0.020590   0.052199
+    0SOL     H3    3  -0.007883  -0.095249   0.005273
+    1SOL     O4    4  -0.016871  -0.036810  -0.275895
+    1SOL     H5    5  -0.034086   0.050962  -0.309986
+    1SOL     H6    6  -0.006178  -0.024261  -0.181605
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/400/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024630   0.067048  -0.063720
+    0SOL     H3    3  -0.091647   0.018715   0.020319
+    1SOL     O4    4   0.071141   0.234425  -0.091591
+    1SOL     H5    5   0.058114   0.280368  -0.174548
+    1SOL     H6    6   0.031171   0.291536  -0.025994
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/401/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095460  -0.000257   0.007048
+    0SOL     H3    3   0.024577  -0.092442   0.003575
+    1SOL     O4    4  -0.273329   0.041079   0.016672
+    1SOL     H5    5  -0.317166   0.069872  -0.063400
+    1SOL     H6    6  -0.344711   0.020007   0.076863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/402/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012320  -0.065936  -0.068286
+    0SOL     H3    3  -0.091464  -0.009702   0.026507
+    1SOL     O4    4   0.098312  -0.213938   0.142970
+    1SOL     H5    5   0.062244  -0.133770   0.105094
+    1SOL     H6    6   0.085588  -0.203753   0.237292
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/403/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074767  -0.051840   0.029748
+    0SOL     H3    3   0.036546   0.059399  -0.065563
+    1SOL     O4    4   0.287313   0.040343  -0.168824
+    1SOL     H5    5   0.254538   0.129975  -0.176182
+    1SOL     H6    6   0.264198  -0.000583  -0.252209
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/404/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073522   0.056521   0.023711
+    0SOL     H3    3  -0.074893   0.059305  -0.006027
+    1SOL     O4    4   0.252582   0.130592   0.009492
+    1SOL     H5    5   0.313500   0.178601   0.065585
+    1SOL     H6    6   0.195531   0.198089  -0.027271
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/405/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010663   0.074203  -0.059519
+    0SOL     H3    3  -0.055631   0.021174   0.074961
+    1SOL     O4    4   0.044433  -0.394838  -0.049273
+    1SOL     H5    5   0.034546  -0.375022  -0.142397
+    1SOL     H6    6   0.136019  -0.421039  -0.039904
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/406/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051442  -0.060636   0.053286
+    0SOL     H3    3  -0.002000  -0.037712  -0.087955
+    1SOL     O4    4   0.061099   0.277265  -0.010741
+    1SOL     H5    5   0.026633   0.189526   0.005879
+    1SOL     H6    6   0.020737   0.303639  -0.093431
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/407/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.041353   0.066936  -0.054514
+    0SOL     H3    3  -0.000162   0.037356   0.088130
+    1SOL     O4    4  -0.059729   0.216366   0.153782
+    1SOL     H5    5  -0.129043   0.254514   0.099905
+    1SOL     H6    6  -0.106151   0.163741   0.218881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/408/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091869  -0.019590  -0.018401
+    0SOL     H3    3  -0.001375   0.087696   0.038340
+    1SOL     O4    4   0.090319   0.172770   0.336373
+    1SOL     H5    5   0.086983   0.202221   0.245358
+    1SOL     H6    6   0.015594   0.215545   0.378193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/409/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074923  -0.039372   0.044707
+    0SOL     H3    3   0.057566  -0.073832  -0.019933
+    1SOL     O4    4  -0.198105  -0.174305   0.081988
+    1SOL     H5    5  -0.272958  -0.196061   0.026436
+    1SOL     H6    6  -0.231406  -0.107689   0.142119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/410/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060148  -0.001940   0.074436
+    0SOL     H3    3   0.003373  -0.090668  -0.030499
+    1SOL     O4    4  -0.168258   0.058797   0.200107
+    1SOL     H5    5  -0.182373  -0.020519   0.251798
+    1SOL     H6    6  -0.163854   0.129166   0.264845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/411/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083732   0.044571   0.012832
+    0SOL     H3    3  -0.060851   0.046167   0.057690
+    1SOL     O4    4  -0.019614   0.280768  -0.134844
+    1SOL     H5    5   0.037964   0.351358  -0.164240
+    1SOL     H6    6   0.027877   0.200507  -0.156413
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/412/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045933   0.054510   0.063884
+    0SOL     H3    3   0.023516  -0.089713   0.023683
+    1SOL     O4    4  -0.016058   0.227005  -0.202697
+    1SOL     H5    5  -0.002297   0.229945  -0.297377
+    1SOL     H6    6   0.014674   0.140171  -0.176665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/413/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079158   0.038007   0.038101
+    0SOL     H3    3  -0.005044   0.037995  -0.087711
+    1SOL     O4    4  -0.102350  -0.212942  -0.295044
+    1SOL     H5    5  -0.128452  -0.171104  -0.377084
+    1SOL     H6    6  -0.016338  -0.175785  -0.275460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/414/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095468   0.001977  -0.006652
+    0SOL     H3    3   0.029335  -0.032187  -0.085240
+    1SOL     O4    4   0.063048  -0.112996  -0.240949
+    1SOL     H5    5   0.087505  -0.042406  -0.300792
+    1SOL     H6    6  -0.031143  -0.123964  -0.253995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/415/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051815   0.080148   0.007333
+    0SOL     H3    3  -0.088202   0.025921   0.026663
+    1SOL     O4    4   0.045950   0.251627   0.108318
+    1SOL     H5    5   0.118398   0.266235   0.047488
+    1SOL     H6    6   0.088040   0.240734   0.193595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/416/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076190   0.027905  -0.050781
+    0SOL     H3    3   0.021697   0.075769   0.054320
+    1SOL     O4    4   0.143342   0.189705   0.141116
+    1SOL     H5    5   0.110989   0.202213   0.230330
+    1SOL     H6    6   0.208935   0.120424   0.148868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/417/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022419   0.025111   0.089606
+    0SOL     H3    3  -0.032982   0.071813  -0.054013
+    1SOL     O4    4  -0.009452   0.161145  -0.205775
+    1SOL     H5    5   0.013150   0.248753  -0.174530
+    1SOL     H6    6   0.054919   0.142712  -0.274178
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/418/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020067  -0.059855  -0.071952
+    0SOL     H3    3   0.053494  -0.031349   0.072924
+    1SOL     O4    4   0.153917   0.177424  -0.068368
+    1SOL     H5    5   0.079544   0.119767  -0.050862
+    1SOL     H6    6   0.133230   0.218457  -0.152336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/419/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025807  -0.036219  -0.084761
+    0SOL     H3    3   0.090689   0.027972  -0.012463
+    1SOL     O4    4   0.257877   0.091755   0.035070
+    1SOL     H5    5   0.319680   0.070410   0.104977
+    1SOL     H6    6   0.272027   0.184897   0.018140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/420/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032576  -0.077718   0.045398
+    0SOL     H3    3   0.049948   0.072471   0.037623
+    1SOL     O4    4   0.280510   0.082862   0.170224
+    1SOL     H5    5   0.349921   0.105845   0.108449
+    1SOL     H6    6   0.257095   0.165768   0.211945
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/421/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009913   0.076628   0.056500
+    0SOL     H3    3  -0.050250  -0.068731   0.043741
+    1SOL     O4    4  -0.124388   0.075367  -0.227351
+    1SOL     H5    5  -0.093082   0.040731  -0.143789
+    1SOL     H6    6  -0.219677   0.077073  -0.218435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/422/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020855   0.039781  -0.084528
+    0SOL     H3    3   0.089971   0.027362   0.017856
+    1SOL     O4    4  -0.215931  -0.100671   0.122100
+    1SOL     H5    5  -0.138485  -0.069572   0.075225
+    1SOL     H6    6  -0.221568  -0.044256   0.199222
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/423/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028761   0.088902  -0.020773
+    0SOL     H3    3  -0.055065  -0.056354  -0.054355
+    1SOL     O4    4   0.181250  -0.140322  -0.151991
+    1SOL     H5    5   0.106154  -0.085538  -0.129151
+    1SOL     H6    6   0.198964  -0.119708  -0.243771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/424/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070134   0.057973   0.029710
+    0SOL     H3    3   0.080602   0.044257   0.026590
+    1SOL     O4    4  -0.165110   0.145366   0.133662
+    1SOL     H5    5  -0.219123   0.092826   0.192692
+    1SOL     H6    6  -0.098804   0.184680   0.190410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/425/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044694  -0.078278   0.032208
+    0SOL     H3    3   0.043388   0.072577   0.044860
+    1SOL     O4    4  -0.263348  -0.011741   0.038540
+    1SOL     H5    5  -0.300207   0.009860  -0.047117
+    1SOL     H6    6  -0.168833  -0.001683   0.027224
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/426/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056480   0.029134  -0.071579
+    0SOL     H3    3  -0.078875   0.053587  -0.008333
+    1SOL     O4    4   0.038392  -0.291839  -0.081761
+    1SOL     H5    5   0.085941  -0.273071  -0.162688
+    1SOL     H6    6   0.017308  -0.205680  -0.045783
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/427/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051560  -0.073347  -0.033528
+    0SOL     H3    3   0.061439   0.049903   0.053826
+    1SOL     O4    4  -0.073751   0.227580  -0.112368
+    1SOL     H5    5  -0.033456   0.147631  -0.078504
+    1SOL     H6    6   0.000196   0.283777  -0.135521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/428/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018054   0.039871  -0.085127
+    0SOL     H3    3   0.072310  -0.060462  -0.016670
+    1SOL     O4    4  -0.233716   0.186433  -0.163417
+    1SOL     H5    5  -0.182509   0.225674  -0.234130
+    1SOL     H6    6  -0.230220   0.250816  -0.092672
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/429/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032524   0.068846  -0.058007
+    0SOL     H3    3  -0.050419  -0.057799  -0.057267
+    1SOL     O4    4  -0.106407  -0.216954  -0.126799
+    1SOL     H5    5  -0.162926  -0.284396  -0.089123
+    1SOL     H6    6  -0.152467  -0.188362  -0.205686
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/430/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030434  -0.008339   0.090369
+    0SOL     H3    3   0.043081  -0.071694  -0.046544
+    1SOL     O4    4  -0.123116  -0.308476  -0.093080
+    1SOL     H5    5  -0.082679  -0.333751  -0.010083
+    1SOL     H6    6  -0.164982  -0.388522  -0.124737
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/431/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044992   0.006107   0.084266
+    0SOL     H3    3   0.091935  -0.013762   0.022823
+    1SOL     O4    4  -0.136663   0.118825   0.224577
+    1SOL     H5    5  -0.089503   0.121776   0.307821
+    1SOL     H6    6  -0.168111   0.208299   0.211625
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/432/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074304  -0.052198  -0.030275
+    0SOL     H3    3  -0.037736   0.060919   0.063461
+    1SOL     O4    4  -0.172090  -0.141320  -0.132007
+    1SOL     H5    5  -0.185729  -0.209775  -0.066507
+    1SOL     H6    6  -0.115499  -0.181886  -0.197689
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/433/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034523   0.037994   0.080789
+    0SOL     H3    3  -0.075219  -0.003104  -0.059117
+    1SOL     O4    4   0.038540  -0.279201   0.154353
+    1SOL     H5    5   0.016935  -0.342049   0.085464
+    1SOL     H6    6   0.016373  -0.193955   0.116881
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/434/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053555  -0.079270  -0.003238
+    0SOL     H3    3   0.002663   0.030880  -0.090563
+    1SOL     O4    4  -0.006537  -0.178709   0.273796
+    1SOL     H5    5   0.056028  -0.205770   0.206598
+    1SOL     H6    6   0.001966  -0.244798   0.342514
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/435/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032217  -0.076913   0.046997
+    0SOL     H3    3   0.062573   0.040396   0.060126
+    1SOL     O4    4   0.082172   0.282443   0.082461
+    1SOL     H5    5   0.122557   0.367538   0.099497
+    1SOL     H6    6   0.139962   0.240826   0.018502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/436/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022578   0.080095  -0.047301
+    0SOL     H3    3  -0.017808  -0.064231  -0.068699
+    1SOL     O4    4  -0.119577  -0.180440   0.204957
+    1SOL     H5    5  -0.081603  -0.190908   0.292196
+    1SOL     H6    6  -0.087104  -0.095645   0.174665
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/437/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004795  -0.035944   0.088585
+    0SOL     H3    3  -0.012965   0.094131   0.011561
+    1SOL     O4    4   0.208385  -0.165819  -0.073972
+    1SOL     H5    5   0.133213  -0.106661  -0.077398
+    1SOL     H6    6   0.183779  -0.239178  -0.130323
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/438/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001303   0.031316   0.090443
+    0SOL     H3    3  -0.050674  -0.081182   0.001980
+    1SOL     O4    4   0.044126   0.097628   0.252812
+    1SOL     H5    5   0.076317   0.174905   0.299227
+    1SOL     H6    6  -0.037578   0.075188   0.297346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/439/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001701  -0.073422  -0.061390
+    0SOL     H3    3   0.086266  -0.005127   0.041161
+    1SOL     O4    4   0.084106   0.082003  -0.307301
+    1SOL     H5    5  -0.011352   0.086815  -0.302105
+    1SOL     H6    6   0.110005   0.163940  -0.349464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/440/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060479   0.069367   0.026322
+    0SOL     H3    3   0.064136  -0.004116   0.070936
+    1SOL     O4    4  -0.212914   0.175711   0.022281
+    1SOL     H5    5  -0.302010   0.142066   0.012676
+    1SOL     H6    6  -0.214022   0.259912  -0.023230
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/441/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080127   0.006609   0.051944
+    0SOL     H3    3  -0.021368   0.043231  -0.082685
+    1SOL     O4    4   0.267542   0.000112   0.047921
+    1SOL     H5    5   0.271014  -0.051376   0.128539
+    1SOL     H6    6   0.174444   0.018240   0.035014
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/442/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042022   0.019994  -0.083646
+    0SOL     H3    3  -0.065428   0.023242   0.065888
+    1SOL     O4    4  -0.059434  -0.004096  -0.278051
+    1SOL     H5    5  -0.155076  -0.005229  -0.274354
+    1SOL     H6    6  -0.037007   0.088055  -0.290995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/443/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038241   0.044923   0.075378
+    0SOL     H3    3   0.024870   0.053805  -0.075158
+    1SOL     O4    4   0.019702   0.100404   0.260228
+    1SOL     H5    5   0.043428   0.017045   0.300857
+    1SOL     H6    6   0.096710   0.155898   0.272577
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/444/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.003350  -0.028411  -0.091345
+    0SOL     H3    3   0.001258   0.095604  -0.004541
+    1SOL     O4    4   0.018383  -0.324587  -0.082787
+    1SOL     H5    5  -0.018811  -0.408871  -0.056806
+    1SOL     H6    6   0.065409  -0.294157  -0.005166
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/445/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004111   0.042631  -0.085604
+    0SOL     H3    3  -0.030964   0.066534   0.061455
+    1SOL     O4    4   0.133734  -0.026537   0.381676
+    1SOL     H5    5   0.159144   0.021086   0.460725
+    1SOL     H6    6   0.202344  -0.005978   0.318176
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/446/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093409   0.000202   0.020905
+    0SOL     H3    3  -0.041999  -0.035985   0.078124
+    1SOL     O4    4   0.245408   0.015098   0.087944
+    1SOL     H5    5   0.231501   0.091770   0.143534
+    1SOL     H6    6   0.314441   0.041697   0.027205
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/447/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020546   0.083029  -0.042969
+    0SOL     H3    3  -0.033164  -0.066879  -0.059913
+    1SOL     O4    4   0.237960   0.102970   0.111296
+    1SOL     H5    5   0.252498   0.181572   0.058640
+    1SOL     H6    6   0.158467   0.064039   0.074860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/448/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000846   0.068839  -0.066504
+    0SOL     H3    3  -0.055981   0.033575   0.070008
+    1SOL     O4    4   0.036650   0.223301  -0.144856
+    1SOL     H5    5  -0.037492   0.224291  -0.205389
+    1SOL     H6    6   0.048509   0.314956  -0.119934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/449/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018221   0.008442   0.093590
+    0SOL     H3    3  -0.033067   0.081248  -0.038311
+    1SOL     O4    4  -0.093410   0.207185  -0.158116
+    1SOL     H5    5  -0.034464   0.270576  -0.117259
+    1SOL     H6    6  -0.088108   0.226364  -0.251745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/450/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021459  -0.023998   0.090144
+    0SOL     H3    3  -0.012060   0.094907  -0.003088
+    1SOL     O4    4  -0.198764  -0.033429  -0.192733
+    1SOL     H5    5  -0.147548  -0.028842  -0.111998
+    1SOL     H6    6  -0.179381  -0.120048  -0.228561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/451/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049884   0.045157  -0.068078
+    0SOL     H3    3  -0.026466   0.042715   0.081470
+    1SOL     O4    4   0.252715  -0.082951  -0.002215
+    1SOL     H5    5   0.268472  -0.103211   0.090000
+    1SOL     H6    6   0.164304  -0.046308  -0.003968
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/452/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021014   0.092301  -0.014186
+    0SOL     H3    3   0.038452  -0.045187  -0.075113
+    1SOL     O4    4   0.053610   0.229145  -0.169484
+    1SOL     H5    5   0.047939   0.320696  -0.142125
+    1SOL     H6    6   0.143994   0.218518  -0.199152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/453/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018541  -0.031455  -0.088482
+    0SOL     H3    3  -0.031382   0.090429   0.000390
+    1SOL     O4    4   0.098625   0.111172  -0.367104
+    1SOL     H5    5   0.070437   0.022812  -0.343435
+    1SOL     H6    6   0.191495   0.113715  -0.344060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/454/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047007  -0.050665   0.066225
+    0SOL     H3    3  -0.000099  -0.056114  -0.077547
+    1SOL     O4    4   0.039095   0.269376  -0.009569
+    1SOL     H5    5  -0.010606   0.331373   0.043802
+    1SOL     H6    6  -0.007241   0.186261   0.000786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/455/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015285  -0.051175  -0.079434
+    0SOL     H3    3  -0.089873  -0.021154   0.025253
+    1SOL     O4    4   0.176970  -0.250824   0.098725
+    1SOL     H5    5   0.131103  -0.174509   0.063588
+    1SOL     H6    6   0.135515  -0.325631   0.055740
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/456/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053439   0.069384  -0.038633
+    0SOL     H3    3   0.062054  -0.070396   0.018868
+    1SOL     O4    4  -0.294361   0.233926   0.056721
+    1SOL     H5    5  -0.240019   0.226932  -0.021767
+    1SOL     H6    6  -0.260190   0.310538   0.102821
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/457/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004420   0.044526   0.084618
+    0SOL     H3    3  -0.093642  -0.007095  -0.018522
+    1SOL     O4    4   0.253002  -0.093440  -0.039930
+    1SOL     H5    5   0.174253  -0.039089  -0.037316
+    1SOL     H6    6   0.324959  -0.032178  -0.024712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/458/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061867  -0.073034  -0.000884
+    0SOL     H3    3   0.014796   0.020038  -0.092422
+    1SOL     O4    4   0.075908  -0.233310  -0.273128
+    1SOL     H5    5   0.156774  -0.194387  -0.239841
+    1SOL     H6    6   0.051752  -0.178370  -0.347696
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/459/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028838  -0.086863   0.028026
+    0SOL     H3    3   0.015243  -0.008967  -0.094072
+    1SOL     O4    4   0.240940   0.077920   0.097470
+    1SOL     H5    5   0.168598   0.045910   0.043579
+    1SOL     H6    6   0.208194   0.159338   0.135693
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/460/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086707  -0.004849  -0.040258
+    0SOL     H3    3  -0.021489  -0.090717   0.021703
+    1SOL     O4    4   0.108552   0.279741   0.180727
+    1SOL     H5    5   0.132807   0.372218   0.185415
+    1SOL     H6    6   0.017570   0.280271   0.150989
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/461/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033812  -0.080596   0.039029
+    0SOL     H3    3  -0.077890   0.046082  -0.031176
+    1SOL     O4    4  -0.205537   0.138930  -0.104246
+    1SOL     H5    5  -0.151048   0.201053  -0.152557
+    1SOL     H6    6  -0.266043   0.104099  -0.169730
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/462/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077593   0.051899  -0.021170
+    0SOL     H3    3   0.053802   0.003921  -0.079072
+    1SOL     O4    4  -0.040448  -0.226455   0.156306
+    1SOL     H5    5  -0.013820  -0.148194   0.108051
+    1SOL     H6    6  -0.013574  -0.209300   0.246561
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/463/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062377   0.008325  -0.072126
+    0SOL     H3    3  -0.077853   0.046872  -0.030070
+    1SOL     O4    4  -0.265084   0.082764  -0.018906
+    1SOL     H5    5  -0.302101   0.162799  -0.056142
+    1SOL     H6    6  -0.341252   0.029844   0.004763
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/464/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086783  -0.016303   0.036949
+    0SOL     H3    3   0.043311   0.056124   0.064317
+    1SOL     O4    4   0.083629   0.185451   0.221002
+    1SOL     H5    5   0.179175   0.184591   0.215305
+    1SOL     H6    6   0.064857   0.164670   0.312533
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/465/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.093057  -0.019377  -0.011278
+    0SOL     H3    3   0.005393   0.095447  -0.004802
+    1SOL     O4    4  -0.112232  -0.225715   0.227821
+    1SOL     H5    5  -0.147913  -0.233351   0.139329
+    1SOL     H6    6  -0.106899  -0.131438   0.243495
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/466/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017427  -0.081659   0.046802
+    0SOL     H3    3   0.070348   0.006106  -0.064623
+    1SOL     O4    4   0.193055   0.055401  -0.179621
+    1SOL     H5    5   0.288087   0.044198  -0.181993
+    1SOL     H6    6   0.162837   0.022007  -0.264084
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/467/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082314   0.029741  -0.038757
+    0SOL     H3    3   0.026272  -0.046233   0.079590
+    1SOL     O4    4   0.130868  -0.212061   0.132724
+    1SOL     H5    5   0.214380  -0.167833   0.117493
+    1SOL     H6    6   0.091831  -0.164942   0.206332
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/468/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017838  -0.075614   0.055917
+    0SOL     H3    3   0.095060   0.010623   0.003608
+    1SOL     O4    4   0.030810  -0.130966  -0.258598
+    1SOL     H5    5   0.022462  -0.161652  -0.348881
+    1SOL     H6    6  -0.058999  -0.128917  -0.225546
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/469/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051179   0.005464   0.080704
+    0SOL     H3    3   0.026849   0.090187  -0.017544
+    1SOL     O4    4   0.229509  -0.245074   0.131068
+    1SOL     H5    5   0.194632  -0.259479   0.043100
+    1SOL     H6    6   0.275801  -0.161502   0.125143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/470/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043871   0.031638  -0.078973
+    0SOL     H3    3   0.070672  -0.034673   0.054457
+    1SOL     O4    4  -0.106815  -0.177378  -0.193406
+    1SOL     H5    5  -0.066560  -0.142301  -0.113960
+    1SOL     H6    6  -0.047646  -0.151092  -0.263907
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/471/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027469  -0.022521   0.088885
+    0SOL     H3    3   0.073494  -0.026548  -0.055283
+    1SOL     O4    4   0.167985  -0.076133  -0.211754
+    1SOL     H5    5   0.200427   0.003321  -0.254143
+    1SOL     H6    6   0.246824  -0.126690  -0.191987
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/472/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007788  -0.039028   0.087054
+    0SOL     H3    3   0.074448  -0.045021  -0.039912
+    1SOL     O4    4   0.055886   0.301838  -0.004319
+    1SOL     H5    5   0.083380   0.216025   0.027969
+    1SOL     H6    6  -0.027028   0.285175  -0.049151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/473/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080575  -0.016019   0.049126
+    0SOL     H3    3  -0.038777   0.076835   0.041894
+    1SOL     O4    4   0.218283  -0.010003   0.172187
+    1SOL     H5    5   0.282556  -0.080506   0.179977
+    1SOL     H6    6   0.255356   0.062012   0.223194
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/474/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094818   0.002511  -0.012867
+    0SOL     H3    3  -0.035388  -0.021180  -0.086379
+    1SOL     O4    4   0.147434   0.252016  -0.170572
+    1SOL     H5    5   0.150149   0.283294  -0.080147
+    1SOL     H6    6   0.068668   0.292001  -0.207442
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/475/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074909  -0.023059  -0.054947
+    0SOL     H3    3   0.066306  -0.065767  -0.020989
+    1SOL     O4    4   0.315070   0.034596   0.152396
+    1SOL     H5    5   0.288460   0.080112   0.072505
+    1SOL     H6    6   0.367946  -0.039012   0.121601
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/476/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067199  -0.063787  -0.024038
+    0SOL     H3    3  -0.048756   0.072988   0.038183
+    1SOL     O4    4  -0.207564  -0.184275  -0.056126
+    1SOL     H5    5  -0.187006  -0.261636  -0.003638
+    1SOL     H6    6  -0.284544  -0.209600  -0.107067
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/477/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080536   0.043075  -0.028651
+    0SOL     H3    3  -0.070158   0.057431  -0.030689
+    1SOL     O4    4   0.106053   0.244602  -0.186547
+    1SOL     H5    5   0.160012   0.253163  -0.265144
+    1SOL     H6    6   0.050094   0.168926  -0.203980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/478/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093517   0.008233  -0.018686
+    0SOL     H3    3  -0.042298   0.007245  -0.085561
+    1SOL     O4    4  -0.228246   0.019091  -0.170194
+    1SOL     H5    5  -0.233184  -0.012190  -0.260524
+    1SOL     H6    6  -0.234271   0.114347  -0.177421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/479/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058997  -0.067268   0.034011
+    0SOL     H3    3   0.057514   0.072996  -0.022935
+    1SOL     O4    4  -0.112014   0.112147   0.292049
+    1SOL     H5    5  -0.059222   0.147385   0.220399
+    1SOL     H6    6  -0.185713   0.069153   0.248664
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/480/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076311   0.046115  -0.034818
+    0SOL     H3    3   0.036499  -0.064359   0.060730
+    1SOL     O4    4  -0.254656   0.034669   0.156139
+    1SOL     H5    5  -0.254483   0.100904   0.225242
+    1SOL     H6    6  -0.173283   0.049904   0.108090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/481/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086951  -0.019043  -0.035203
+    0SOL     H3    3  -0.035872  -0.085708   0.023016
+    1SOL     O4    4   0.059746   0.052019  -0.337817
+    1SOL     H5    5   0.069554   0.017530  -0.426568
+    1SOL     H6    6   0.131734   0.012517  -0.288627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/482/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039130   0.070637  -0.051397
+    0SOL     H3    3   0.052611  -0.003538   0.079887
+    1SOL     O4    4  -0.217140   0.094424   0.129549
+    1SOL     H5    5  -0.242110   0.174758   0.083884
+    1SOL     H6    6  -0.138178   0.064682   0.084353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/483/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030038  -0.080324   0.042523
+    0SOL     H3    3  -0.048796   0.003287  -0.082283
+    1SOL     O4    4  -0.340457   0.109259   0.244478
+    1SOL     H5    5  -0.349864   0.086035   0.336860
+    1SOL     H6    6  -0.247322   0.128702   0.233983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/484/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063668  -0.025596   0.066735
+    0SOL     H3    3   0.048000   0.059817  -0.057274
+    1SOL     O4    4  -0.177947   0.263274  -0.187874
+    1SOL     H5    5  -0.137361   0.290757  -0.105657
+    1SOL     H6    6  -0.198726   0.345136  -0.232921
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/485/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018829   0.072269  -0.059874
+    0SOL     H3    3  -0.080183  -0.010197   0.051274
+    1SOL     O4    4  -0.229072  -0.024710   0.146921
+    1SOL     H5    5  -0.205747   0.023851   0.226042
+    1SOL     H6    6  -0.186220  -0.109660   0.157393
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/486/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014185   0.093932   0.011740
+    0SOL     H3    3  -0.027785  -0.031031   0.086182
+    1SOL     O4    4   0.056399   0.293153   0.006670
+    1SOL     H5    5   0.128602   0.294421   0.069499
+    1SOL     H6    6   0.097307   0.313983  -0.077324
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/487/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002487  -0.059888  -0.074630
+    0SOL     H3    3   0.046748  -0.048409   0.068070
+    1SOL     O4    4   0.136177  -0.121126   0.201710
+    1SOL     H5    5   0.145326  -0.215229   0.216652
+    1SOL     H6    6   0.175677  -0.080616   0.278918
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/488/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013221  -0.089740  -0.030565
+    0SOL     H3    3  -0.053242  -0.009159   0.079017
+    1SOL     O4    4  -0.288094  -0.016119  -0.168264
+    1SOL     H5    5  -0.292112  -0.092402  -0.110584
+    1SOL     H6    6  -0.358977  -0.029797  -0.231119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/489/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050785   0.061854  -0.052510
+    0SOL     H3    3  -0.013617  -0.075052  -0.057829
+    1SOL     O4    4   0.248227  -0.126073  -0.137837
+    1SOL     H5    5   0.194074  -0.095486  -0.210598
+    1SOL     H6    6   0.212248  -0.211937  -0.115583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/490/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059760  -0.071011  -0.023420
+    0SOL     H3    3  -0.081005  -0.020409  -0.046733
+    1SOL     O4    4   0.072674   0.042917   0.260783
+    1SOL     H5    5   0.069471   0.136255   0.281761
+    1SOL     H6    6   0.046082   0.038032   0.168960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/491/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082634   0.021713  -0.043157
+    0SOL     H3    3  -0.008148  -0.094837  -0.010088
+    1SOL     O4    4   0.283946  -0.191529   0.073249
+    1SOL     H5    5   0.295691  -0.108329   0.119099
+    1SOL     H6    6   0.257696  -0.166601  -0.015362
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/492/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017786  -0.093776   0.007217
+    0SOL     H3    3   0.056005   0.019654   0.075097
+    1SOL     O4    4  -0.110953   0.015762  -0.317618
+    1SOL     H5    5  -0.151010   0.090110  -0.272563
+    1SOL     H6    6  -0.172191  -0.005437  -0.388066
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/493/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081585  -0.021471   0.045223
+    0SOL     H3    3  -0.000912  -0.057557  -0.076477
+    1SOL     O4    4   0.286005  -0.056793   0.067980
+    1SOL     H5    5   0.341582  -0.087396  -0.003693
+    1SOL     H6    6   0.329351   0.022382   0.099836
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/494/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061298   0.013364  -0.072293
+    0SOL     H3    3  -0.081842   0.039277  -0.030358
+    1SOL     O4    4  -0.260440  -0.138358   0.098420
+    1SOL     H5    5  -0.292828  -0.221806   0.132328
+    1SOL     H6    6  -0.210310  -0.161998   0.020379
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/495/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091628  -0.026277   0.008724
+    0SOL     H3    3  -0.012521   0.012530  -0.094067
+    1SOL     O4    4  -0.058128   0.056178  -0.267381
+    1SOL     H5    5  -0.001722   0.132166  -0.281750
+    1SOL     H6    6  -0.142546   0.093425  -0.241918
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/496/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087918  -0.017839  -0.033383
+    0SOL     H3    3  -0.051794  -0.075801  -0.027089
+    1SOL     O4    4   0.256395   0.048196  -0.054388
+    1SOL     H5    5   0.325893   0.010767  -0.000245
+    1SOL     H6    6   0.238629   0.133596  -0.014975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/497/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049886   0.059479  -0.055999
+    0SOL     H3    3   0.063757  -0.065629   0.028111
+    1SOL     O4    4  -0.154043  -0.060862  -0.240805
+    1SOL     H5    5  -0.123134  -0.032313  -0.154829
+    1SOL     H6    6  -0.225259  -0.121886  -0.221658
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/498/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.001679  -0.082079   0.049219
+    0SOL     H3    3   0.002649   0.068253   0.067059
+    1SOL     O4    4  -0.237242   0.065656  -0.122072
+    1SOL     H5    5  -0.161952   0.034663  -0.071742
+    1SOL     H6    6  -0.221296   0.034076  -0.211015
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/499/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060471   0.007066   0.073863
+    0SOL     H3    3   0.022510  -0.092959  -0.003779
+    1SOL     O4    4   0.114288  -0.238635  -0.060405
+    1SOL     H5    5   0.025917  -0.273098  -0.047554
+    1SOL     H6    6   0.120683  -0.223542  -0.154711
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/500/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014133  -0.085671   0.040287
+    0SOL     H3    3  -0.047459  -0.019064  -0.080911
+    1SOL     O4    4  -0.026967   0.341056  -0.225763
+    1SOL     H5    5   0.025389   0.279625  -0.277216
+    1SOL     H6    6   0.004120   0.427492  -0.252683
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/501/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012846  -0.042212  -0.084944
+    0SOL     H3    3  -0.086328  -0.029716   0.028755
+    1SOL     O4    4   0.144896  -0.017694   0.238233
+    1SOL     H5    5   0.103692  -0.025739   0.152211
+    1SOL     H6    6   0.210424   0.051187   0.227108
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/502/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041139  -0.000386  -0.086428
+    0SOL     H3    3  -0.093981  -0.000618  -0.018153
+    1SOL     O4    4   0.232301  -0.022828   0.341255
+    1SOL     H5    5   0.312819  -0.047883   0.386547
+    1SOL     H6    6   0.197184  -0.105189   0.307405
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/503/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036219   0.062237  -0.063064
+    0SOL     H3    3   0.052934   0.012153   0.078820
+    1SOL     O4    4   0.170530  -0.216412  -0.060144
+    1SOL     H5    5   0.086886  -0.171451  -0.048124
+    1SOL     H6    6   0.154511  -0.278247  -0.131432
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/504/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033383   0.089524  -0.005776
+    0SOL     H3    3   0.059709   0.001432   0.074801
+    1SOL     O4    4   0.041401  -0.299814   0.002939
+    1SOL     H5    5   0.040143  -0.213962   0.045251
+    1SOL     H6    6  -0.045422  -0.336289   0.020074
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/505/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041014   0.003376   0.086422
+    0SOL     H3    3   0.053717   0.057667  -0.054326
+    1SOL     O4    4   0.133470   0.171643  -0.150389
+    1SOL     H5    5   0.215803   0.153967  -0.104879
+    1SOL     H6    6   0.150227   0.146097  -0.241102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/506/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060123   0.034105  -0.066214
+    0SOL     H3    3   0.052249  -0.062928   0.049723
+    1SOL     O4    4   0.027421  -0.397962  -0.141466
+    1SOL     H5    5  -0.025465  -0.404798  -0.220957
+    1SOL     H6    6  -0.032452  -0.362406  -0.075791
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/507/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045609  -0.003576  -0.084080
+    0SOL     H3    3  -0.032559  -0.089003   0.013445
+    1SOL     O4    4   0.064418   0.133881   0.224815
+    1SOL     H5    5   0.160037   0.137689   0.226977
+    1SOL     H6    6   0.044231   0.081587   0.147226
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/508/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020648   0.039070  -0.084909
+    0SOL     H3    3  -0.086415   0.034770   0.022040
+    1SOL     O4    4  -0.253670   0.065675   0.061351
+    1SOL     H5    5  -0.328423   0.008502   0.078834
+    1SOL     H6    6  -0.292559   0.151410   0.044045
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/509/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030436   0.007941  -0.090404
+    0SOL     H3    3   0.016387   0.090114   0.027808
+    1SOL     O4    4   0.236277   0.142573   0.261734
+    1SOL     H5    5   0.294344   0.192859   0.204621
+    1SOL     H6    6   0.148406   0.173735   0.240054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/510/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042993  -0.045350   0.072508
+    0SOL     H3    3   0.048189   0.071481   0.041600
+    1SOL     O4    4  -0.182819   0.115711  -0.154581
+    1SOL     H5    5  -0.208562   0.084364  -0.241281
+    1SOL     H6    6  -0.121266   0.049787  -0.122527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/511/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033815  -0.081794  -0.036449
+    0SOL     H3    3  -0.026928  -0.001708   0.091838
+    1SOL     O4    4  -0.200875   0.161593  -0.042638
+    1SOL     H5    5  -0.141820   0.233128  -0.066252
+    1SOL     H6    6  -0.146130   0.083149  -0.046082
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/512/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010656  -0.061043   0.072956
+    0SOL     H3    3  -0.093062   0.022385   0.000836
+    1SOL     O4    4  -0.268584   0.074056   0.048733
+    1SOL     H5    5  -0.337809   0.129620   0.084550
+    1SOL     H6    6  -0.269088   0.092615  -0.045169
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/513/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024257  -0.092086  -0.009705
+    0SOL     H3    3   0.042918   0.022345  -0.082590
+    1SOL     O4    4   0.193569   0.057944  -0.182665
+    1SOL     H5    5   0.213943   0.149955  -0.199430
+    1SOL     H6    6   0.270735   0.024176  -0.137196
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/514/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020551  -0.086573  -0.035287
+    0SOL     H3    3   0.002850  -0.012790   0.094819
+    1SOL     O4    4   0.004596  -0.259120  -0.118198
+    1SOL     H5    5   0.010531  -0.248122  -0.213099
+    1SOL     H6    6  -0.012149  -0.352554  -0.105868
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/515/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010592   0.084977   0.042766
+    0SOL     H3    3   0.085926  -0.041509   0.007483
+    1SOL     O4    4   0.006901   0.256205   0.073027
+    1SOL     H5    5   0.055362   0.336394   0.053442
+    1SOL     H6    6  -0.045937   0.278227   0.149744
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/516/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050882  -0.063928  -0.049865
+    0SOL     H3    3  -0.090995  -0.018160  -0.023503
+    1SOL     O4    4  -0.115752   0.293763   0.088705
+    1SOL     H5    5  -0.038789   0.274017   0.035328
+    1SOL     H6    6  -0.095881   0.378212   0.129151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/517/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037358  -0.035893   0.080488
+    0SOL     H3    3   0.022884  -0.063782  -0.067605
+    1SOL     O4    4   0.078074  -0.106149  -0.239879
+    1SOL     H5    5   0.124192  -0.022276  -0.238994
+    1SOL     H6    6   0.147332  -0.171706  -0.231629
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/518/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027122  -0.075663  -0.051979
+    0SOL     H3    3   0.087028  -0.023132   0.032455
+    1SOL     O4    4  -0.139511   0.180858  -0.183503
+    1SOL     H5    5  -0.189016   0.195914  -0.102974
+    1SOL     H6    6  -0.074438   0.114825  -0.159679
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/519/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044955   0.010414  -0.083862
+    0SOL     H3    3  -0.049593  -0.081342  -0.009294
+    1SOL     O4    4  -0.040950   0.261485   0.022782
+    1SOL     H5    5  -0.017517   0.170135   0.006400
+    1SOL     H6    6  -0.106637   0.257318   0.092281
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/520/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032170  -0.064500   0.062986
+    0SOL     H3    3  -0.013771  -0.049887  -0.080523
+    1SOL     O4    4  -0.067595  -0.095232  -0.241422
+    1SOL     H5    5  -0.159106  -0.121201  -0.252087
+    1SOL     H6    6  -0.063625  -0.006310  -0.276627
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/521/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019676  -0.044429   0.082469
+    0SOL     H3    3  -0.041444  -0.067171  -0.054155
+    1SOL     O4    4  -0.045666   0.236790   0.151572
+    1SOL     H5    5  -0.013808   0.149066   0.172829
+    1SOL     H6    6  -0.017921   0.251127   0.061090
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/522/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067591  -0.041396   0.053667
+    0SOL     H3    3  -0.032453  -0.070359  -0.056202
+    1SOL     O4    4   0.216023   0.040683   0.195484
+    1SOL     H5    5   0.195591  -0.052753   0.199302
+    1SOL     H6    6   0.155225   0.081093   0.257394
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/523/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086871   0.034665  -0.020347
+    0SOL     H3    3   0.054723   0.077674   0.011596
+    1SOL     O4    4  -0.225623   0.199723  -0.128730
+    1SOL     H5    5  -0.295347   0.135625  -0.114862
+    1SOL     H6    6  -0.228406   0.255420  -0.050933
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/524/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087213  -0.004038   0.039242
+    0SOL     H3    3  -0.005332   0.071874  -0.062993
+    1SOL     O4    4  -0.125837   0.249710   0.207180
+    1SOL     H5    5  -0.190585   0.217911   0.270099
+    1SOL     H6    6  -0.066203   0.175880   0.194724
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/525/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052618  -0.074143  -0.029942
+    0SOL     H3    3  -0.060336   0.074299  -0.001231
+    1SOL     O4    4  -0.260076   0.303584  -0.124866
+    1SOL     H5    5  -0.251217   0.266534  -0.037053
+    1SOL     H6    6  -0.295181   0.391453  -0.110410
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/526/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028717   0.020564  -0.088965
+    0SOL     H3    3  -0.021118  -0.092686   0.011214
+    1SOL     O4    4  -0.176861   0.105959  -0.196841
+    1SOL     H5    5  -0.111346   0.164895  -0.234212
+    1SOL     H6    6  -0.161883   0.022349  -0.240970
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/527/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040531   0.082715   0.026035
+    0SOL     H3    3  -0.090848   0.022912  -0.019596
+    1SOL     O4    4  -0.253584  -0.021121  -0.178499
+    1SOL     H5    5  -0.294652   0.022808  -0.252970
+    1SOL     H6    6  -0.323484  -0.074338  -0.140497
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/528/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075451  -0.058299  -0.008408
+    0SOL     H3    3  -0.034369   0.077465   0.044500
+    1SOL     O4    4  -0.051917   0.190290   0.191690
+    1SOL     H5    5   0.011157   0.177835   0.262605
+    1SOL     H6    6  -0.047749   0.283876   0.172025
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/529/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092985   0.006477  -0.021773
+    0SOL     H3    3  -0.023427  -0.090305  -0.021412
+    1SOL     O4    4   0.254909  -0.021383  -0.061209
+    1SOL     H5    5   0.249678  -0.030704  -0.156330
+    1SOL     H6    6   0.295403   0.064288  -0.047681
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/530/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002635   0.034762  -0.089146
+    0SOL     H3    3  -0.076605  -0.057103   0.005765
+    1SOL     O4    4   0.195236  -0.173632   0.087207
+    1SOL     H5    5   0.171960  -0.085289   0.058640
+    1SOL     H6    6   0.113365  -0.222936   0.081858
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/531/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078586  -0.048782  -0.024634
+    0SOL     H3    3  -0.023769  -0.034634   0.086011
+    1SOL     O4    4   0.131614   0.212289   0.185663
+    1SOL     H5    5   0.151469   0.206792   0.092186
+    1SOL     H6    6   0.161509   0.128718   0.221502
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/532/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032160   0.074148   0.051285
+    0SOL     H3    3  -0.001473   0.031008  -0.090547
+    1SOL     O4    4  -0.138185   0.199568   0.201534
+    1SOL     H5    5  -0.230650   0.191153   0.178256
+    1SOL     H6    6  -0.101666   0.257136   0.134344
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/533/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037094   0.064314  -0.060416
+    0SOL     H3    3  -0.043366  -0.082212  -0.022867
+    1SOL     O4    4  -0.166752  -0.189059  -0.102372
+    1SOL     H5    5  -0.173160  -0.236497  -0.019482
+    1SOL     H6    6  -0.108197  -0.242419  -0.156097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/534/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002352  -0.084403  -0.045088
+    0SOL     H3    3   0.092624   0.024129   0.000948
+    1SOL     O4    4  -0.108548  -0.107699   0.224990
+    1SOL     H5    5  -0.087598  -0.082394   0.135085
+    1SOL     H6    6  -0.199377  -0.137636   0.220950
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/535/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020590   0.037655   0.085560
+    0SOL     H3    3  -0.014375   0.075748  -0.056726
+    1SOL     O4    4  -0.241399  -0.091754   0.081896
+    1SOL     H5    5  -0.152985  -0.069313   0.052883
+    1SOL     H6    6  -0.258769  -0.177079   0.042142
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/536/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086000   0.017506  -0.038207
+    0SOL     H3    3   0.050171  -0.039900  -0.071086
+    1SOL     O4    4  -0.196315   0.260451  -0.032266
+    1SOL     H5    5  -0.122366   0.290692   0.020453
+    1SOL     H6    6  -0.214906   0.333276  -0.091538
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/537/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.005588  -0.084039   0.045481
+    0SOL     H3    3  -0.076050   0.000938  -0.058119
+    1SOL     O4    4   0.191094  -0.234078  -0.124915
+    1SOL     H5    5   0.249459  -0.300726  -0.161163
+    1SOL     H6    6   0.106347  -0.277932  -0.117365
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/538/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.081715   0.047810   0.014116
+    0SOL     H3    3   0.049983   0.013615   0.080490
+    1SOL     O4    4  -0.006699   0.337069  -0.082148
+    1SOL     H5    5   0.061044   0.288401  -0.035195
+    1SOL     H6    6  -0.030706   0.280241  -0.155337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/539/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011494   0.055818  -0.076906
+    0SOL     H3    3   0.029146   0.054030   0.073441
+    1SOL     O4    4   0.176909  -0.224009  -0.026301
+    1SOL     H5    5   0.259403  -0.209130  -0.072515
+    1SOL     H6    6   0.134628  -0.138153  -0.024425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/540/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021833   0.014205   0.092108
+    0SOL     H3    3  -0.075957  -0.058212   0.002043
+    1SOL     O4    4  -0.143190  -0.233725   0.076520
+    1SOL     H5    5  -0.184680  -0.223585   0.162183
+    1SOL     H6    6  -0.215360  -0.254659   0.017227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/541/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061135   0.010014   0.072969
+    0SOL     H3    3  -0.050705   0.024669  -0.077349
+    1SOL     O4    4   0.051781  -0.012048   0.271844
+    1SOL     H5    5   0.072010   0.081256   0.264957
+    1SOL     H6    6   0.106736  -0.043277   0.343727
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/542/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.092926  -0.022516  -0.004493
+    0SOL     H3    3   0.025135  -0.019716   0.090232
+    1SOL     O4    4   0.083166  -0.165685  -0.204519
+    1SOL     H5    5   0.029073  -0.242335  -0.185518
+    1SOL     H6    6   0.052117  -0.098701  -0.143597
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/543/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082253  -0.047138  -0.013222
+    0SOL     H3    3  -0.006150   0.059061  -0.075075
+    1SOL     O4    4   0.043167   0.127350   0.229640
+    1SOL     H5    5   0.034547   0.052335   0.170811
+    1SOL     H6    6   0.032044   0.090515   0.317286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/544/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045761   0.046392  -0.070114
+    0SOL     H3    3   0.028358   0.043796   0.080250
+    1SOL     O4    4   0.106155  -0.327957  -0.064857
+    1SOL     H5    5   0.025681  -0.376167  -0.045831
+    1SOL     H6    6   0.077171  -0.251675  -0.114891
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/545/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082953  -0.015265  -0.045255
+    0SOL     H3    3  -0.012516  -0.038563   0.086710
+    1SOL     O4    4  -0.186654  -0.117634  -0.167572
+    1SOL     H5    5  -0.198971  -0.082584  -0.255788
+    1SOL     H6    6  -0.148373  -0.204284  -0.181305
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/546/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.015672   0.032184  -0.088775
+    0SOL     H3    3  -0.090013   0.026109   0.019451
+    1SOL     O4    4   0.313318  -0.055420   0.132594
+    1SOL     H5    5   0.240640  -0.117710   0.133109
+    1SOL     H6    6   0.321925  -0.027829   0.223847
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/547/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012687   0.050049   0.080600
+    0SOL     H3    3   0.016401  -0.089516   0.029667
+    1SOL     O4    4   0.056584   0.111101  -0.302273
+    1SOL     H5    5   0.057850   0.032360  -0.247862
+    1SOL     H6    6   0.147892   0.139670  -0.305273
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/548/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030152  -0.090738   0.004440
+    0SOL     H3    3   0.025526   0.021227   0.089778
+    1SOL     O4    4  -0.064405  -0.257676   0.042858
+    1SOL     H5    5  -0.014662  -0.279894   0.121562
+    1SOL     H6    6  -0.153149  -0.240815   0.074519
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/549/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007318   0.080509  -0.051255
+    0SOL     H3    3   0.073586  -0.053807  -0.029193
+    1SOL     O4    4   0.145800  -0.265786   0.026457
+    1SOL     H5    5   0.064780  -0.295381   0.067957
+    1SOL     H6    6   0.180169  -0.343657  -0.017329
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/550/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087908  -0.013637   0.035334
+    0SOL     H3    3  -0.054454  -0.064072   0.045737
+    1SOL     O4    4  -0.093058   0.116845  -0.228300
+    1SOL     H5    5  -0.048268   0.080140  -0.152084
+    1SOL     H6    6  -0.028795   0.175745  -0.267839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/551/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025868  -0.063514  -0.066777
+    0SOL     H3    3  -0.054075  -0.021664   0.075953
+    1SOL     O4    4   0.082491   0.181391  -0.194169
+    1SOL     H5    5   0.035511   0.141945  -0.120690
+    1SOL     H6    6   0.013571   0.215183  -0.251356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/552/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053263  -0.074702  -0.027294
+    0SOL     H3    3   0.018054   0.047514  -0.081110
+    1SOL     O4    4   0.262720  -0.078526   0.085065
+    1SOL     H5    5   0.318546  -0.130158   0.026928
+    1SOL     H6    6   0.191994  -0.047090   0.028745
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/553/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081925   0.024684   0.042911
+    0SOL     H3    3  -0.029495  -0.077706   0.047478
+    1SOL     O4    4  -0.263503   0.133659   0.014544
+    1SOL     H5    5  -0.174289   0.099796   0.022065
+    1SOL     H6    6  -0.257329   0.224393   0.044402
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/554/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030495  -0.080419   0.042014
+    0SOL     H3    3   0.035257   0.052670   0.071730
+    1SOL     O4    4  -0.317411  -0.139954   0.024610
+    1SOL     H5    5  -0.354436  -0.054824   0.047945
+    1SOL     H6    6  -0.384826  -0.203123   0.049653
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/555/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071844   0.052844   0.034759
+    0SOL     H3    3   0.015507  -0.087673   0.035148
+    1SOL     O4    4  -0.215550  -0.278985  -0.061558
+    1SOL     H5    5  -0.270191  -0.285547   0.016760
+    1SOL     H6    6  -0.129422  -0.309812  -0.033383
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/556/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044261   0.032345   0.078467
+    0SOL     H3    3  -0.000853  -0.095243   0.009503
+    1SOL     O4    4  -0.244982  -0.003209  -0.158224
+    1SOL     H5    5  -0.279267  -0.067098  -0.095733
+    1SOL     H6    6  -0.156042   0.014806  -0.127770
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/557/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090910   0.015062  -0.025900
+    0SOL     H3    3  -0.005693  -0.032152   0.089979
+    1SOL     O4    4   0.137594   0.207266   0.091276
+    1SOL     H5    5   0.088503   0.268040   0.146583
+    1SOL     H6    6   0.072558   0.143271   0.062336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/558/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079727  -0.045961  -0.026334
+    0SOL     H3    3  -0.001181  -0.002787   0.095672
+    1SOL     O4    4  -0.045468   0.001844   0.271837
+    1SOL     H5    5  -0.099746  -0.006673   0.350219
+    1SOL     H6    6   0.018405   0.069564   0.294119
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/559/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027985  -0.021873  -0.088886
+    0SOL     H3    3   0.077529   0.038613   0.040751
+    1SOL     O4    4   0.194259   0.148081   0.103842
+    1SOL     H5    5   0.235728   0.169714   0.020327
+    1SOL     H6    6   0.180223   0.232713   0.146301
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/560/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064751  -0.033795  -0.061868
+    0SOL     H3    3   0.070527   0.033836  -0.055166
+    1SOL     O4    4   0.225767   0.138120  -0.071196
+    1SOL     H5    5   0.172651   0.206185  -0.112524
+    1SOL     H6    6   0.290297   0.114308  -0.137764
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/561/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027604   0.062244   0.067276
+    0SOL     H3    3  -0.031659   0.054774  -0.071832
+    1SOL     O4    4   0.122644   0.168701   0.163512
+    1SOL     H5    5   0.125768   0.244795   0.105527
+    1SOL     H6    6   0.210298   0.130651   0.157919
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/562/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004942   0.019387   0.093606
+    0SOL     H3    3   0.090099   0.021402  -0.024216
+    1SOL     O4    4  -0.298537  -0.013525   0.148116
+    1SOL     H5    5  -0.365720  -0.081701   0.147216
+    1SOL     H6    6  -0.286748   0.009768   0.056024
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/563/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021979   0.047377  -0.080216
+    0SOL     H3    3  -0.064862  -0.070220   0.004936
+    1SOL     O4    4  -0.253838   0.192564   0.043908
+    1SOL     H5    5  -0.330951   0.234129   0.082486
+    1SOL     H6    6  -0.196516   0.265511   0.020346
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/564/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014438   0.003609  -0.094556
+    0SOL     H3    3   0.004013   0.091324   0.028393
+    1SOL     O4    4  -0.260718  -0.132373   0.061831
+    1SOL     H5    5  -0.263033  -0.218741   0.020629
+    1SOL     H6    6  -0.170778  -0.102153   0.049183
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/565/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069456   0.059525   0.028196
+    0SOL     H3    3  -0.045839  -0.080205  -0.025065
+    1SOL     O4    4   0.076482  -0.139950   0.228239
+    1SOL     H5    5   0.105939  -0.096520   0.148186
+    1SOL     H6    6   0.046142  -0.225938   0.199121
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021505   0.092042   0.015102
+    0SOL     H3    3  -0.060374  -0.022468   0.070799
+    1SOL     O4    4  -0.061042   0.302400   0.017811
+    1SOL     H5    5  -0.136090   0.343086  -0.025489
+    1SOL     H6    6  -0.088038   0.293410   0.109204
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026956  -0.031928   0.086118
+    0SOL     H3    3   0.034702   0.087635   0.016678
+    1SOL     O4    4  -0.207995   0.164703  -0.116556
+    1SOL     H5    5  -0.151646   0.107981  -0.063928
+    1SOL     H6    6  -0.290824   0.117135  -0.122788
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001988   0.013254  -0.094777
+    0SOL     H3    3   0.024212  -0.091967   0.010869
+    1SOL     O4    4   0.016337   0.023078  -0.291733
+    1SOL     H5    5   0.094226  -0.032205  -0.298019
+    1SOL     H6    6  -0.057034  -0.037679  -0.301091
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086665  -0.015945  -0.037380
+    0SOL     H3    3   0.004249   0.089742   0.033024
+    1SOL     O4    4   0.005995  -0.209506   0.160957
+    1SOL     H5    5  -0.003370  -0.149507   0.086966
+    1SOL     H6    6   0.028414  -0.293555   0.121012
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052227  -0.075099   0.028192
+    0SOL     H3    3   0.001950   0.059948   0.074597
+    1SOL     O4    4   0.216296   0.074378  -0.125497
+    1SOL     H5    5   0.266637   0.004068  -0.166543
+    1SOL     H6    6   0.156628   0.029403  -0.065671
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006405   0.090474  -0.030591
+    0SOL     H3    3  -0.071360  -0.045547  -0.044672
+    1SOL     O4    4  -0.197850  -0.096457  -0.165345
+    1SOL     H5    5  -0.179430  -0.185588  -0.194989
+    1SOL     H6    6  -0.280690  -0.103577  -0.117919
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079237   0.046530  -0.026812
+    0SOL     H3    3  -0.062455   0.016251  -0.070693
+    1SOL     O4    4   0.221880  -0.308716  -0.058682
+    1SOL     H5    5   0.232067  -0.277325  -0.148533
+    1SOL     H6    6   0.130273  -0.290998  -0.037312
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030463  -0.044997  -0.078801
+    0SOL     H3    3  -0.093399  -0.020417   0.004704
+    1SOL     O4    4  -0.089764   0.227673   0.190886
+    1SOL     H5    5  -0.001415   0.219086   0.155067
+    1SOL     H6    6  -0.092243   0.315983   0.227730
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087369  -0.028078   0.027216
+    0SOL     H3    3   0.007130   0.012241  -0.094666
+    1SOL     O4    4   0.214671  -0.072543   0.141703
+    1SOL     H5    5   0.276028  -0.137793   0.107940
+    1SOL     H6    6   0.168068  -0.117602   0.212131
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047093   0.017745  -0.081423
+    0SOL     H3    3   0.075745  -0.051965  -0.026921
+    1SOL     O4    4  -0.204855  -0.098113   0.199429
+    1SOL     H5    5  -0.279079  -0.079261   0.142004
+    1SOL     H6    6  -0.129063  -0.062290   0.153227
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/576/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028817  -0.090449   0.012285
+    0SOL     H3    3   0.046794  -0.000852  -0.083498
+    1SOL     O4    4   0.197185  -0.041220   0.204011
+    1SOL     H5    5   0.179079  -0.055904   0.111173
+    1SOL     H6    6   0.112635  -0.016249   0.241294
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030276  -0.032414  -0.084823
+    0SOL     H3    3   0.089050  -0.034104   0.008329
+    1SOL     O4    4  -0.013456  -0.235839   0.119033
+    1SOL     H5    5  -0.012092  -0.145005   0.088870
+    1SOL     H6    6   0.078685  -0.261634   0.121676
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083896  -0.045647   0.006332
+    0SOL     H3    3   0.021340   0.023626   0.090270
+    1SOL     O4    4   0.132567  -0.015617   0.236981
+    1SOL     H5    5   0.201189  -0.032267   0.172358
+    1SOL     H6    6   0.083622  -0.097741   0.241713
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017291   0.082166   0.045958
+    0SOL     H3    3   0.004054  -0.066987   0.068254
+    1SOL     O4    4  -0.094227  -0.103514  -0.215897
+    1SOL     H5    5  -0.043904  -0.071626  -0.140976
+    1SOL     H6    6  -0.185654  -0.090851  -0.190539
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/580/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046582   0.021889  -0.080705
+    0SOL     H3    3   0.007110  -0.095217   0.006742
+    1SOL     O4    4   0.086352   0.054674  -0.249208
+    1SOL     H5    5   0.063496  -0.019769  -0.304869
+    1SOL     H6    6   0.123465   0.119162  -0.309427
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076586  -0.025583   0.051404
+    0SOL     H3    3  -0.012469   0.093410  -0.016777
+    1SOL     O4    4  -0.041236   0.266010   0.095773
+    1SOL     H5    5  -0.013938   0.337416   0.038168
+    1SOL     H6    6  -0.133163   0.284497   0.115004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/582/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011238  -0.068772   0.065623
+    0SOL     H3    3  -0.077546   0.055280   0.009647
+    1SOL     O4    4  -0.133499  -0.300253   0.024408
+    1SOL     H5    5  -0.205524  -0.238775   0.038382
+    1SOL     H6    6  -0.110511  -0.289704  -0.067909
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/583/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.028599  -0.091346   0.000478
+    0SOL     H3    3   0.016921   0.020332   0.091993
+    1SOL     O4    4   0.248314   0.017579  -0.106858
+    1SOL     H5    5   0.251067  -0.044924  -0.179301
+    1SOL     H6    6   0.160421   0.007960  -0.070189
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/584/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050541   0.051844  -0.062611
+    0SOL     H3    3   0.089449   0.001795  -0.034030
+    1SOL     O4    4   0.256730  -0.017005  -0.099852
+    1SOL     H5    5   0.276192  -0.101882  -0.139594
+    1SOL     H6    6   0.339855   0.011274  -0.061737
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/585/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.022824   0.085669  -0.036087
+    0SOL     H3    3   0.081502  -0.050065  -0.003649
+    1SOL     O4    4   0.268461  -0.121955  -0.064497
+    1SOL     H5    5   0.217744  -0.193068  -0.103651
+    1SOL     H6    6   0.267819  -0.140857   0.029336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/586/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019213   0.091989   0.018200
+    0SOL     H3    3  -0.009700  -0.008228  -0.094871
+    1SOL     O4    4   0.317242   0.156810   0.051137
+    1SOL     H5    5   0.248841   0.215859   0.019564
+    1SOL     H6    6   0.346507   0.195842   0.133492
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/587/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042964  -0.083515   0.018484
+    0SOL     H3    3  -0.046442   0.034522  -0.076248
+    1SOL     O4    4  -0.146917   0.083794  -0.246432
+    1SOL     H5    5  -0.136669   0.169788  -0.287204
+    1SOL     H6    6  -0.104095   0.023272  -0.306977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/588/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068874  -0.042463   0.051142
+    0SOL     H3    3   0.001985  -0.048490  -0.082505
+    1SOL     O4    4  -0.186236   0.265372   0.070513
+    1SOL     H5    5  -0.139838   0.189486   0.105880
+    1SOL     H6    6  -0.136130   0.340770   0.101607
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/589/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085070  -0.027748   0.033993
+    0SOL     H3    3   0.056973   0.002307   0.076884
+    1SOL     O4    4  -0.058590  -0.320476  -0.079089
+    1SOL     H5    5  -0.129908  -0.273460  -0.122281
+    1SOL     H6    6   0.019779  -0.295375  -0.127983
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/590/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019793   0.048472   0.080131
+    0SOL     H3    3   0.058377   0.057754  -0.049183
+    1SOL     O4    4  -0.230664  -0.191979   0.191798
+    1SOL     H5    5  -0.271262  -0.109496   0.165142
+    1SOL     H6    6  -0.232791  -0.189957   0.287473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/591/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.002368  -0.058775   0.075513
+    0SOL     H3    3  -0.060506  -0.039297  -0.062906
+    1SOL     O4    4   0.214394   0.026312  -0.177213
+    1SOL     H5    5   0.135479   0.034246  -0.123624
+    1SOL     H6    6   0.182510   0.028981  -0.267427
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/592/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019002   0.007005   0.093553
+    0SOL     H3    3  -0.025429  -0.091424  -0.012544
+    1SOL     O4    4   0.153159   0.046541   0.227007
+    1SOL     H5    5   0.157781   0.029757   0.321131
+    1SOL     H6    6   0.232704   0.006773   0.191603
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/593/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.090615  -0.026386   0.015968
+    0SOL     H3    3  -0.006539   0.087606   0.038010
+    1SOL     O4    4  -0.032420   0.236084   0.125894
+    1SOL     H5    5   0.018273   0.302567   0.079282
+    1SOL     H6    6  -0.112214   0.225988   0.073997
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/594/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091332  -0.028648   0.000266
+    0SOL     H3    3   0.001517   0.075890   0.058316
+    1SOL     O4    4  -0.197602   0.193659  -0.132003
+    1SOL     H5    5  -0.187884   0.228730  -0.043471
+    1SOL     H6    6  -0.290927   0.202674  -0.151277
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/595/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039653  -0.024621  -0.083569
+    0SOL     H3    3  -0.036129  -0.081688   0.034412
+    1SOL     O4    4   0.222428   0.092326   0.120703
+    1SOL     H5    5   0.168873   0.038833   0.062114
+    1SOL     H6    6   0.165420   0.110515   0.195413
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/596/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.018136   0.025401  -0.090489
+    0SOL     H3    3   0.055478  -0.076544   0.015019
+    1SOL     O4    4   0.176174  -0.208911   0.062014
+    1SOL     H5    5   0.150930  -0.252846  -0.019194
+    1SOL     H6    6   0.210047  -0.279013   0.117698
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/597/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015325   0.026400  -0.090722
+    0SOL     H3    3   0.085170  -0.043650  -0.001768
+    1SOL     O4    4   0.178668  -0.211892   0.053653
+    1SOL     H5    5   0.138075  -0.228397   0.138753
+    1SOL     H6    6   0.255952  -0.159118   0.073759
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/598/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014516  -0.090965   0.026020
+    0SOL     H3    3  -0.056715  -0.005791  -0.076891
+    1SOL     O4    4  -0.238085   0.055939  -0.148270
+    1SOL     H5    5  -0.249881   0.150308  -0.159115
+    1SOL     H6    6  -0.273430   0.017936  -0.228699
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/599/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.017124   0.072962   0.059545
+    0SOL     H3    3  -0.039503   0.026923  -0.082928
+    1SOL     O4    4   0.087277  -0.241010  -0.046003
+    1SOL     H5    5   0.057212  -0.150429  -0.038689
+    1SOL     H6    6   0.154940  -0.238449  -0.113661
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052626  -0.052050   0.060693
+    0SOL     H3    3  -0.061225  -0.062688  -0.038523
+    1SOL     O4    4   0.167046   0.150800   0.181696
+    1SOL     H5    5   0.220132   0.074715   0.158132
+    1SOL     H6    6   0.106581   0.118164   0.248338
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058771  -0.054347   0.052485
+    0SOL     H3    3  -0.052527  -0.062632  -0.049804
+    1SOL     O4    4   0.017742  -0.343162   0.011913
+    1SOL     H5    5  -0.046149  -0.296626   0.065900
+    1SOL     H6    6   0.068795  -0.273859  -0.029956
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037626  -0.070353   0.052888
+    0SOL     H3    3  -0.050392  -0.045182  -0.067687
+    1SOL     O4    4  -0.331039  -0.005577  -0.021797
+    1SOL     H5    5  -0.283037  -0.072549   0.026916
+    1SOL     H6    6  -0.381105  -0.054596  -0.087011
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040044  -0.067712  -0.054533
+    0SOL     H3    3  -0.064652   0.041611  -0.057017
+    1SOL     O4    4  -0.155488  -0.130932   0.188701
+    1SOL     H5    5  -0.106072  -0.094011   0.115507
+    1SOL     H6    6  -0.220097  -0.188310   0.147522
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064061  -0.042880   0.056744
+    0SOL     H3    3   0.040491   0.066604   0.055559
+    1SOL     O4    4   0.165238  -0.158846  -0.162789
+    1SOL     H5    5   0.111591  -0.091934  -0.120280
+    1SOL     H6    6   0.207234  -0.113193  -0.235690
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/005/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068607   0.042098   0.051799
+    0SOL     H3    3   0.033583  -0.069495   0.056612
+    1SOL     O4    4  -0.317070   0.003589  -0.001718
+    1SOL     H5    5  -0.279657  -0.081760   0.020146
+    1SOL     H6    6  -0.384549  -0.015746  -0.066796
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/006/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050703  -0.060310   0.054353
+    0SOL     H3    3  -0.044478  -0.056358  -0.063307
+    1SOL     O4    4  -0.182050  -0.174601  -0.174694
+    1SOL     H5    5  -0.128354  -0.219502  -0.239986
+    1SOL     H6    6  -0.229174  -0.107661  -0.224299
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/007/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047764  -0.073935  -0.037611
+    0SOL     H3    3   0.066253   0.049198   0.048502
+    1SOL     O4    4   0.161437   0.154302   0.142498
+    1SOL     H5    5   0.179865   0.077571   0.196673
+    1SOL     H6    6   0.247293   0.182717   0.111134
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/008/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.021294   0.080280   0.047581
+    0SOL     H3    3   0.048536  -0.053143   0.063107
+    1SOL     O4    4   0.161532  -0.164210  -0.151429
+    1SOL     H5    5   0.115061  -0.106901  -0.212409
+    1SOL     H6    6   0.225677  -0.107185  -0.109051
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/009/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068264   0.048800  -0.046054
+    0SOL     H3    3   0.046504   0.066227   0.051124
+    1SOL     O4    4  -0.180031   0.162428   0.153413
+    1SOL     H5    5  -0.250909   0.200504   0.205267
+    1SOL     H6    6  -0.123399   0.119860   0.217780
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/010/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040464  -0.072758   0.047236
+    0SOL     H3    3  -0.074525  -0.039343  -0.045393
+    1SOL     O4    4  -0.344052  -0.004603  -0.007629
+    1SOL     H5    5  -0.284925  -0.054916   0.048361
+    1SOL     H6    6  -0.401372  -0.070290  -0.047152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/011/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058823  -0.063169  -0.041375
+    0SOL     H3    3   0.056752   0.051859   0.057028
+    1SOL     O4    4  -0.143332  -0.176342  -0.159262
+    1SOL     H5    5  -0.195718  -0.106069  -0.120794
+    1SOL     H6    6  -0.204210  -0.223119  -0.216430
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/012/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067724   0.042029  -0.053004
+    0SOL     H3    3  -0.046361  -0.031514   0.077587
+    1SOL     O4    4   0.128131  -0.162308  -0.152032
+    1SOL     H5    5   0.096920  -0.110597  -0.077774
+    1SOL     H6    6   0.187142  -0.103476  -0.199135
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/013/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049862   0.057823  -0.057729
+    0SOL     H3    3   0.064802   0.057204   0.041118
+    1SOL     O4    4   0.168510   0.154513  -0.149212
+    1SOL     H5    5   0.207481   0.227901  -0.196728
+    1SOL     H6    6   0.118132   0.107121  -0.215381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/014/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046664   0.048981   0.067718
+    0SOL     H3    3   0.050233   0.066347  -0.047297
+    1SOL     O4    4  -0.349559   0.003493   0.004737
+    1SOL     H5    5  -0.281134   0.062220  -0.027381
+    1SOL     H6    6  -0.375168  -0.047731  -0.071961
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/015/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059099   0.040235  -0.063646
+    0SOL     H3    3   0.063894  -0.047417  -0.053212
+    1SOL     O4    4  -0.183909  -0.151757  -0.183113
+    1SOL     H5    5  -0.111332  -0.132529  -0.242486
+    1SOL     H6    6  -0.241490  -0.209316  -0.233448
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/016/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055842  -0.056850  -0.053029
+    0SOL     H3    3  -0.025883   0.070425  -0.059437
+    1SOL     O4    4   0.167412  -0.145611  -0.161048
+    1SOL     H5    5   0.233687  -0.199074  -0.117326
+    1SOL     H6    6   0.217504  -0.086584  -0.217341
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/017/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052888   0.058702  -0.054030
+    0SOL     H3    3  -0.050435  -0.051591  -0.062905
+    1SOL     O4    4   0.162339   0.159917   0.145571
+    1SOL     H5    5   0.122463   0.244491   0.125088
+    1SOL     H6    6   0.097499   0.115396   0.200124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/018/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068738   0.056536  -0.035229
+    0SOL     H3    3  -0.005321  -0.072769  -0.061957
+    1SOL     O4    4  -0.163574  -0.198675   0.178969
+    1SOL     H5    5  -0.210190  -0.148456   0.112130
+    1SOL     H6    6  -0.098526  -0.249092   0.130091
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/019/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078306  -0.026882   0.048040
+    0SOL     H3    3   0.033359   0.034988  -0.082615
+    1SOL     O4    4   0.170599  -0.181718   0.161428
+    1SOL     H5    5   0.227787  -0.238249   0.109504
+    1SOL     H6    6   0.230498  -0.124100   0.208910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/020/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043437  -0.053006  -0.066827
+    0SOL     H3    3   0.070721   0.028074   0.058074
+    1SOL     O4    4  -0.324794   0.017692   0.010841
+    1SOL     H5    5  -0.375795   0.080865  -0.039857
+    1SOL     H6    6  -0.259904   0.070782   0.057027
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/021/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054162  -0.058288  -0.053210
+    0SOL     H3    3  -0.066160   0.033289  -0.060638
+    1SOL     O4    4   0.177117  -0.170823  -0.198934
+    1SOL     H5    5   0.240828  -0.206860  -0.137254
+    1SOL     H6    6   0.227845  -0.110654  -0.253421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/022/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.065028   0.044930  -0.053991
+    0SOL     H3    3  -0.049945  -0.034447   0.074036
+    1SOL     O4    4  -0.150429  -0.197529  -0.145734
+    1SOL     H5    5  -0.214575  -0.135460  -0.111164
+    1SOL     H6    6  -0.088974  -0.143417  -0.195307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/023/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052101  -0.037475   0.071017
+    0SOL     H3    3   0.062522   0.051422  -0.051079
+    1SOL     O4    4   0.153097  -0.144801   0.165461
+    1SOL     H5    5   0.197472  -0.204428   0.105147
+    1SOL     H6    6   0.222520  -0.087458   0.197934
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/024/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066698  -0.046887   0.050152
+    0SOL     H3    3   0.049318   0.063197  -0.052309
+    1SOL     O4    4   0.186129   0.159704   0.158383
+    1SOL     H5    5   0.247945   0.119722   0.097207
+    1SOL     H6    6   0.134406   0.219593   0.104527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/025/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059228   0.051840  -0.054470
+    0SOL     H3    3   0.046109   0.064596   0.053513
+    1SOL     O4    4   0.149499  -0.185115   0.149902
+    1SOL     H5    5   0.099146  -0.138421   0.216585
+    1SOL     H6    6   0.178839  -0.116715   0.089712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/026/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067039  -0.038666   0.056330
+    0SOL     H3    3   0.039920   0.068442   0.053707
+    1SOL     O4    4   0.165056  -0.154050   0.168388
+    1SOL     H5    5   0.204106  -0.230267   0.211147
+    1SOL     H6    6   0.096404  -0.190444   0.112490
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/027/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072037  -0.035841  -0.051850
+    0SOL     H3    3  -0.055271   0.045216  -0.063741
+    1SOL     O4    4   0.172125   0.147170   0.154986
+    1SOL     H5    5   0.132767   0.222021   0.199825
+    1SOL     H6    6   0.099215   0.086897   0.140373
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/028/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068357   0.032770  -0.058445
+    0SOL     H3    3  -0.040481  -0.074085   0.045111
+    1SOL     O4    4   0.186888   0.170218   0.186031
+    1SOL     H5    5   0.224796   0.092383   0.226863
+    1SOL     H6    6   0.126689   0.135798   0.120049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/029/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052436  -0.051730  -0.061130
+    0SOL     H3    3  -0.052101   0.057649  -0.055897
+    1SOL     O4    4   0.186367   0.152762  -0.169264
+    1SOL     H5    5   0.139906   0.180381  -0.090265
+    1SOL     H6    6   0.124743   0.095097  -0.214425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/030/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068088  -0.064193  -0.020141
+    0SOL     H3    3  -0.044073  -0.035224   0.077325
+    1SOL     O4    4  -0.194962  -0.151391  -0.153116
+    1SOL     H5    5  -0.139164  -0.117610  -0.223172
+    1SOL     H6    6  -0.261842  -0.202781  -0.198375
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/031/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056045   0.058017   0.051529
+    0SOL     H3    3   0.059208   0.059014  -0.046627
+    1SOL     O4    4  -0.151433  -0.154513   0.181268
+    1SOL     H5    5  -0.103496  -0.206874   0.117060
+    1SOL     H6    6  -0.221669  -0.113277   0.130980
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/032/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055473   0.057819  -0.052364
+    0SOL     H3    3  -0.042568  -0.056938  -0.064096
+    1SOL     O4    4  -0.009023  -0.325618  -0.021526
+    1SOL     H5    5   0.054676  -0.288696  -0.082693
+    1SOL     H6    6  -0.046563  -0.400312  -0.068151
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/033/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056503  -0.053178  -0.056052
+    0SOL     H3    3  -0.039264   0.064026  -0.059341
+    1SOL     O4    4  -0.169321  -0.171323  -0.179398
+    1SOL     H5    5  -0.228047  -0.117125  -0.126709
+    1SOL     H6    6  -0.123982  -0.109192  -0.236375
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/034/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043193  -0.051590   0.068082
+    0SOL     H3    3  -0.064281  -0.059740  -0.038228
+    1SOL     O4    4  -0.166062   0.153074   0.204509
+    1SOL     H5    5  -0.118163   0.091903   0.148597
+    1SOL     H6    6  -0.099143   0.190877   0.261563
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045860   0.060965   0.057814
+    0SOL     H3    3   0.073828   0.050365  -0.034280
+    1SOL     O4    4  -0.146851  -0.155175  -0.173395
+    1SOL     H5    5  -0.199530  -0.202109  -0.108707
+    1SOL     H6    6  -0.105255  -0.084627  -0.123846
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/036/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050487  -0.055770   0.059186
+    0SOL     H3    3  -0.060119  -0.060030  -0.044095
+    1SOL     O4    4   0.168612   0.159685   0.162383
+    1SOL     H5    5   0.102466   0.110944   0.211489
+    1SOL     H6    6   0.196261   0.229316   0.221960
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/037/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059546  -0.045228  -0.059758
+    0SOL     H3    3   0.056519   0.058426   0.050540
+    1SOL     O4    4   0.162471   0.164065  -0.163857
+    1SOL     H5    5   0.222224   0.216268  -0.217399
+    1SOL     H6    6   0.128629   0.097443  -0.223677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/038/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062062   0.026741   0.067791
+    0SOL     H3    3   0.043681  -0.076971   0.036466
+    1SOL     O4    4   0.157533   0.150775   0.178643
+    1SOL     H5    5   0.197189   0.078598   0.129856
+    1SOL     H6    6   0.089627   0.109319   0.231865
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/039/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070523  -0.057109  -0.030453
+    0SOL     H3    3   0.034868   0.041102   0.079102
+    1SOL     O4    4  -0.137926   0.164531   0.171285
+    1SOL     H5    5  -0.195514   0.224547   0.218655
+    1SOL     H6    6  -0.196343   0.096282   0.138242
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068958   0.051065  -0.042422
+    0SOL     H3    3  -0.043773  -0.043126   0.073392
+    1SOL     O4    4   0.163377   0.157321   0.156685
+    1SOL     H5    5   0.104825   0.205095   0.215436
+    1SOL     H6    6   0.104987   0.103956   0.102787
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024582   0.065347  -0.065481
+    0SOL     H3    3  -0.059024  -0.059406  -0.046361
+    1SOL     O4    4  -0.159861   0.167571  -0.142889
+    1SOL     H5    5  -0.127238   0.108938  -0.211155
+    1SOL     H6    6  -0.220147   0.113630  -0.091719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/042/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034346  -0.068097   0.057840
+    0SOL     H3    3  -0.052934  -0.047425  -0.064119
+    1SOL     O4    4  -0.163032  -0.158716  -0.184031
+    1SOL     H5    5  -0.111225  -0.229244  -0.222815
+    1SOL     H6    6  -0.221792  -0.202983  -0.122793
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033047   0.043698  -0.078490
+    0SOL     H3    3  -0.077320  -0.040534   0.039254
+    1SOL     O4    4  -0.020685   0.307793   0.012885
+    1SOL     H5    5  -0.068685   0.347398  -0.059846
+    1SOL     H6    6   0.010831   0.382203   0.064190
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/044/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049848   0.051445  -0.063489
+    0SOL     H3    3  -0.053154  -0.059043  -0.053394
+    1SOL     O4    4  -0.165908   0.166878   0.184829
+    1SOL     H5    5  -0.100595   0.132872   0.123672
+    1SOL     H6    6  -0.236187   0.200001   0.128918
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/045/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055622   0.036577  -0.068780
+    0SOL     H3    3  -0.056402  -0.062232   0.045917
+    1SOL     O4    4   0.179857   0.155804  -0.178296
+    1SOL     H5    5   0.110770   0.212665  -0.144296
+    1SOL     H6    6   0.214120   0.110844  -0.101049
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/046/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058868   0.041033   0.063349
+    0SOL     H3    3  -0.054569  -0.064241  -0.045361
+    1SOL     O4    4  -0.155818  -0.171565  -0.152336
+    1SOL     H5    5  -0.218547  -0.126102  -0.208554
+    1SOL     H6    6  -0.208924  -0.207462  -0.081248
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072547  -0.018936   0.059503
+    0SOL     H3    3   0.041969   0.034599  -0.078764
+    1SOL     O4    4  -0.192481   0.153727   0.156865
+    1SOL     H5    5  -0.149396   0.097136   0.092806
+    1SOL     H6    6  -0.248660   0.210844   0.104483
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/048/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046175   0.055934  -0.062462
+    0SOL     H3    3  -0.075086  -0.033679  -0.048889
+    1SOL     O4    4   0.193736   0.164452  -0.165955
+    1SOL     H5    5   0.245813   0.094909  -0.206130
+    1SOL     H6    6   0.254018   0.207676  -0.105457
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/049/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056639   0.059038  -0.049687
+    0SOL     H3    3   0.041865   0.056158   0.065237
+    1SOL     O4    4  -0.155385   0.168693  -0.156439
+    1SOL     H5    5  -0.193666   0.226532  -0.090472
+    1SOL     H6    6  -0.227898   0.112768  -0.184307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/050/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062644   0.043778  -0.057633
+    0SOL     H3    3  -0.043620  -0.064041  -0.056199
+    1SOL     O4    4   0.182043   0.166894  -0.153617
+    1SOL     H5    5   0.139569   0.229243  -0.212530
+    1SOL     H6    6   0.241903   0.220235  -0.101330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/051/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061252   0.056575   0.047008
+    0SOL     H3    3   0.046914  -0.047058   0.068898
+    1SOL     O4    4   0.166680  -0.156328  -0.168176
+    1SOL     H5    5   0.101154  -0.099058  -0.208034
+    1SOL     H6    6   0.115674  -0.225711  -0.126381
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/052/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042589   0.075097  -0.041338
+    0SOL     H3    3   0.059700   0.038563   0.064119
+    1SOL     O4    4   0.162573  -0.156341   0.176742
+    1SOL     H5    5   0.221785  -0.207593   0.231784
+    1SOL     H6    6   0.219292  -0.092624   0.133321
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/053/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068233   0.040328   0.053668
+    0SOL     H3    3   0.037674  -0.067825   0.056061
+    1SOL     O4    4   0.165958  -0.192990  -0.159190
+    1SOL     H5    5   0.104806  -0.234507  -0.098370
+    1SOL     H6    6   0.216551  -0.132575  -0.104851
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/054/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046489  -0.051241   0.066147
+    0SOL     H3    3  -0.045403  -0.065230  -0.053348
+    1SOL     O4    4   0.005405  -0.336712   0.008314
+    1SOL     H5    5   0.052047  -0.413267   0.041872
+    1SOL     H6    6   0.062509  -0.301940  -0.060186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/055/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038224   0.057594   0.066213
+    0SOL     H3    3   0.069865  -0.046471   0.046061
+    1SOL     O4    4   0.180763   0.145899   0.149559
+    1SOL     H5    5   0.118284   0.202366   0.104059
+    1SOL     H6    6   0.242225   0.206531   0.190894
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/056/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064827   0.043293   0.055547
+    0SOL     H3    3   0.050204   0.071737  -0.038675
+    1SOL     O4    4  -0.174346   0.164427  -0.154012
+    1SOL     H5    5  -0.126822   0.122823  -0.225935
+    1SOL     H6    6  -0.222289   0.236254  -0.195300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/057/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059031  -0.044336  -0.060926
+    0SOL     H3    3   0.058109   0.047038   0.059775
+    1SOL     O4    4   0.186321   0.163101  -0.158782
+    1SOL     H5    5   0.219461   0.224395  -0.224411
+    1SOL     H6    6   0.112164   0.120107  -0.201379
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/058/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053044  -0.037181   0.070471
+    0SOL     H3    3   0.069209   0.048413   0.045040
+    1SOL     O4    4   0.180087   0.180473   0.158636
+    1SOL     H5    5   0.233964   0.133456   0.222268
+    1SOL     H6    6   0.242238   0.234470   0.109811
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/059/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048688   0.047620  -0.067262
+    0SOL     H3    3  -0.065392  -0.055992   0.041846
+    1SOL     O4    4  -0.003177  -0.026211  -0.367386
+    1SOL     H5    5   0.068280  -0.061300  -0.420537
+    1SOL     H6    6  -0.037693   0.046800  -0.418771
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/060/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073754  -0.050913   0.033624
+    0SOL     H3    3  -0.040243  -0.056652  -0.065828
+    1SOL     O4    4   0.176041   0.158988   0.144866
+    1SOL     H5    5   0.131326   0.093270   0.198196
+    1SOL     H6    6   0.236908   0.201536   0.205258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/061/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055632   0.067299  -0.039221
+    0SOL     H3    3   0.062633   0.048798   0.053462
+    1SOL     O4    4   0.152385  -0.192768  -0.151369
+    1SOL     H5    5   0.116531  -0.131944  -0.086737
+    1SOL     H6    6   0.214356  -0.246471  -0.101995
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/062/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056534  -0.063039  -0.044635
+    0SOL     H3    3   0.059096   0.048886   0.057272
+    1SOL     O4    4   0.131106   0.186847   0.159101
+    1SOL     H5    5   0.073597   0.238036   0.215975
+    1SOL     H6    6   0.187627   0.138513   0.219364
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/063/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046908  -0.065125   0.052161
+    0SOL     H3    3  -0.069292  -0.049577  -0.043624
+    1SOL     O4    4   0.148464  -0.176247  -0.158639
+    1SOL     H5    5   0.113242  -0.130787  -0.235157
+    1SOL     H6    6   0.196059  -0.108663  -0.110374
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/064/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068125  -0.052899   0.041510
+    0SOL     H3    3   0.047859   0.061098  -0.056025
+    1SOL     O4    4   0.165630   0.176055  -0.176939
+    1SOL     H5    5   0.235951   0.122598  -0.213813
+    1SOL     H6    6   0.210631   0.240739  -0.122596
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/065/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067643   0.034154   0.058483
+    0SOL     H3    3  -0.046671  -0.059895  -0.058281
+    1SOL     O4    4  -0.171740   0.187658  -0.183903
+    1SOL     H5    5  -0.110940   0.134255  -0.235029
+    1SOL     H6    6  -0.224773   0.124179  -0.135734
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/066/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049282   0.049301  -0.065597
+    0SOL     H3    3  -0.067997  -0.045152  -0.050001
+    1SOL     O4    4   0.135449  -0.153336  -0.177402
+    1SOL     H5    5   0.193448  -0.223878  -0.206077
+    1SOL     H6    6   0.082775  -0.192419  -0.107687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/067/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069137  -0.050315  -0.043021
+    0SOL     H3    3  -0.046216  -0.064067   0.054053
+    1SOL     O4    4   0.153307   0.180183   0.169819
+    1SOL     H5    5   0.178493   0.123149   0.242449
+    1SOL     H6    6   0.105649   0.122903   0.109737
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059196  -0.038044  -0.064890
+    0SOL     H3    3  -0.029099  -0.074526   0.052549
+    1SOL     O4    4  -0.190495   0.173259   0.189438
+    1SOL     H5    5  -0.124538   0.110331   0.218628
+    1SOL     H6    6  -0.243151   0.125009   0.125707
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031213  -0.078540  -0.044939
+    0SOL     H3    3   0.074773   0.029097   0.052198
+    1SOL     O4    4   0.158747   0.163677  -0.143142
+    1SOL     H5    5   0.209002   0.140322  -0.065095
+    1SOL     H6    6   0.102414   0.087925  -0.158969
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035167   0.055456   0.069644
+    0SOL     H3    3   0.053870  -0.064613   0.045667
+    1SOL     O4    4   0.157249   0.170444  -0.171218
+    1SOL     H5    5   0.216865   0.121514  -0.227911
+    1SOL     H6    6   0.113687   0.103374  -0.118622
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049025  -0.053857  -0.062115
+    0SOL     H3    3   0.064671   0.061397   0.034790
+    1SOL     O4    4  -0.148503   0.181082  -0.161828
+    1SOL     H5    5  -0.104448   0.106167  -0.121716
+    1SOL     H6    6  -0.213732   0.142189  -0.220094
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055202  -0.066617   0.040954
+    0SOL     H3    3   0.059231   0.028243   0.069687
+    1SOL     O4    4   0.152407  -0.166553  -0.177149
+    1SOL     H5    5   0.097265  -0.113181  -0.119938
+    1SOL     H6    6   0.090547  -0.218965  -0.228028
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053070  -0.051665   0.060635
+    0SOL     H3    3   0.051329   0.057887   0.056363
+    1SOL     O4    4  -0.187571   0.177130   0.167278
+    1SOL     H5    5  -0.232879   0.231658   0.231592
+    1SOL     H6    6  -0.130429   0.120854   0.219528
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050188  -0.043022   0.069229
+    0SOL     H3    3   0.058744   0.059613   0.046451
+    1SOL     O4    4   0.162903   0.159123  -0.145326
+    1SOL     H5    5   0.204080   0.197847  -0.222574
+    1SOL     H6    6   0.093138   0.103823  -0.180498
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029368  -0.062948  -0.065859
+    0SOL     H3    3  -0.071935   0.047026  -0.042145
+    1SOL     O4    4   0.149171  -0.152792  -0.187155
+    1SOL     H5    5   0.215154  -0.196361  -0.133208
+    1SOL     H6    6   0.199438  -0.094913  -0.244475
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046672   0.055792   0.062220
+    0SOL     H3    3  -0.068665  -0.051873  -0.041913
+    1SOL     O4    4   0.171247  -0.164255   0.181729
+    1SOL     H5    5   0.122755  -0.096666   0.134374
+    1SOL     H6    6   0.237121  -0.115993   0.231666
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052905   0.036777  -0.070787
+    0SOL     H3    3  -0.055601  -0.067483   0.038947
+    1SOL     O4    4  -0.332701   0.015833  -0.004203
+    1SOL     H5    5  -0.380863   0.072998  -0.063994
+    1SOL     H6    6  -0.400054  -0.038982   0.036061
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/078/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020144  -0.070045   0.062050
+    0SOL     H3    3   0.085490   0.030176  -0.030711
+    1SOL     O4    4   0.152784   0.186214   0.178815
+    1SOL     H5    5   0.100812   0.134572   0.240413
+    1SOL     H6    6   0.216506   0.231979   0.233655
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/079/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046772   0.054684  -0.063122
+    0SOL     H3    3  -0.059267  -0.052925  -0.053373
+    1SOL     O4    4   0.166075   0.173234  -0.153603
+    1SOL     H5    5   0.221705   0.128383  -0.217289
+    1SOL     H6    6   0.108833   0.228706  -0.206599
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/080/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057634   0.036760   0.067003
+    0SOL     H3    3   0.036351   0.076326  -0.044891
+    1SOL     O4    4  -0.157181  -0.144760   0.182017
+    1SOL     H5    5  -0.101244  -0.183923   0.114937
+    1SOL     H6    6  -0.205852  -0.076499   0.135824
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/081/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045591   0.055195  -0.063539
+    0SOL     H3    3  -0.067115  -0.060335   0.031899
+    1SOL     O4    4   0.168307  -0.174706   0.166107
+    1SOL     H5    5   0.109694  -0.118257   0.216508
+    1SOL     H6    6   0.109769  -0.229543   0.113872
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/082/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056533   0.060887  -0.047530
+    0SOL     H3    3  -0.057526  -0.040447   0.064940
+    1SOL     O4    4  -0.173747   0.173467   0.185608
+    1SOL     H5    5  -0.127409   0.136499   0.260764
+    1SOL     H6    6  -0.229486   0.102201   0.154356
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/083/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069262   0.062351   0.021852
+    0SOL     H3    3   0.057443   0.047902  -0.059733
+    1SOL     O4    4  -0.191932  -0.134166   0.176631
+    1SOL     H5    5  -0.124062  -0.161951   0.115118
+    1SOL     H6    6  -0.231924  -0.215764   0.206708
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/084/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020283  -0.062565   0.069545
+    0SOL     H3    3   0.065099   0.058572   0.038649
+    1SOL     O4    4   0.173049  -0.149578   0.161476
+    1SOL     H5    5   0.224231  -0.202988   0.222222
+    1SOL     H6    6   0.233526  -0.081103   0.132910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/085/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030832   0.076259   0.048952
+    0SOL     H3    3  -0.079402  -0.049874  -0.019241
+    1SOL     O4    4  -0.162057   0.188496   0.161065
+    1SOL     H5    5  -0.236769   0.144155   0.201245
+    1SOL     H6    6  -0.115152   0.227913   0.234608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/086/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061863   0.045489  -0.057149
+    0SOL     H3    3   0.045201   0.070054   0.047028
+    1SOL     O4    4  -0.162646  -0.159222  -0.177062
+    1SOL     H5    5  -0.109708  -0.226338  -0.133989
+    1SOL     H6    6  -0.217996  -0.207862  -0.238159
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/087/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060119  -0.048513  -0.056520
+    0SOL     H3    3  -0.047842   0.057571  -0.059658
+    1SOL     O4    4  -0.156053   0.191693  -0.158838
+    1SOL     H5    5  -0.096103   0.223454  -0.226363
+    1SOL     H6    6  -0.205265   0.121549  -0.201503
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/088/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056204  -0.054087   0.055480
+    0SOL     H3    3   0.060856   0.054147  -0.050269
+    1SOL     O4    4  -0.173164   0.171683   0.194751
+    1SOL     H5    5  -0.100657   0.118630   0.161729
+    1SOL     H6    6  -0.199354   0.225628   0.120143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/089/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033990   0.056828  -0.069120
+    0SOL     H3    3  -0.076966  -0.041609  -0.038823
+    1SOL     O4    4  -0.187968  -0.145101   0.162925
+    1SOL     H5    5  -0.129114  -0.201409   0.112646
+    1SOL     H6    6  -0.232342  -0.204630   0.223337
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/090/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057776   0.045861  -0.061000
+    0SOL     H3    3   0.039970  -0.069424  -0.052393
+    1SOL     O4    4   0.176899  -0.157058   0.179308
+    1SOL     H5    5   0.152236  -0.086876   0.239546
+    1SOL     H6    6   0.240449  -0.116709   0.120184
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/091/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061967   0.047144   0.055675
+    0SOL     H3    3   0.040684  -0.064098   0.058298
+    1SOL     O4    4   0.151489  -0.164702  -0.190440
+    1SOL     H5    5   0.104021  -0.232784  -0.142755
+    1SOL     H6    6   0.209751  -0.125868  -0.125173
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/092/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044629  -0.069464  -0.048428
+    0SOL     H3    3   0.052295   0.011336   0.079367
+    1SOL     O4    4   0.167382   0.150207  -0.169108
+    1SOL     H5    5   0.225786   0.087654  -0.126231
+    1SOL     H6    6   0.100948   0.095860  -0.211479
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/093/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049771   0.048634   0.065726
+    0SOL     H3    3   0.072830  -0.038536   0.048714
+    1SOL     O4    4  -0.163109  -0.147930   0.182311
+    1SOL     H5    5  -0.111565  -0.208022   0.128511
+    1SOL     H6    6  -0.208787  -0.092353   0.119169
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/094/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077065   0.046817  -0.032116
+    0SOL     H3    3  -0.030595  -0.045675   0.078358
+    1SOL     O4    4  -0.165032  -0.147153   0.182175
+    1SOL     H5    5  -0.219825  -0.098170   0.243500
+    1SOL     H6    6  -0.119688  -0.211503   0.236631
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/095/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065646  -0.062243  -0.031286
+    0SOL     H3    3  -0.065644  -0.054277   0.043671
+    1SOL     O4    4  -0.005477  -0.023702   0.322698
+    1SOL     H5    5  -0.063772   0.023962   0.263604
+    1SOL     H6    6   0.045606   0.044548   0.366228
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/096/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031383  -0.072358   0.054238
+    0SOL     H3    3   0.052635   0.053471   0.059437
+    1SOL     O4    4   0.175720  -0.147916   0.191283
+    1SOL     H5    5   0.123814  -0.189625   0.122519
+    1SOL     H6    6   0.241352  -0.096676   0.144069
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/097/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045829   0.056926   0.061818
+    0SOL     H3    3   0.057870  -0.053139   0.054677
+    1SOL     O4    4   0.165224  -0.155348   0.157749
+    1SOL     H5    5   0.097542  -0.206957   0.201544
+    1SOL     H6    6   0.221003  -0.123690   0.228804
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/098/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033192  -0.075719   0.048241
+    0SOL     H3    3   0.079731   0.025101   0.046639
+    1SOL     O4    4   0.159999  -0.183038  -0.154237
+    1SOL     H5    5   0.134866  -0.125077  -0.082326
+    1SOL     H6    6   0.199654  -0.258812  -0.111246
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/099/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055591   0.067660   0.038653
+    0SOL     H3    3  -0.057150  -0.045621  -0.061765
+    1SOL     O4    4   0.168513  -0.181256  -0.150888
+    1SOL     H5    5   0.233818  -0.215880  -0.211706
+    1SOL     H6    6   0.136081  -0.101757  -0.193201
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/100/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072461  -0.037184   0.050290
+    0SOL     H3    3   0.032484   0.071856   0.054257
+    1SOL     O4    4  -0.189778  -0.138834  -0.165136
+    1SOL     H5    5  -0.253542  -0.096512  -0.107644
+    1SOL     H6    6  -0.144430  -0.201451  -0.108701
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/101/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035571  -0.061878   0.063781
+    0SOL     H3    3  -0.062396  -0.051487  -0.051168
+    1SOL     O4    4   0.145117  -0.166780   0.178039
+    1SOL     H5    5   0.207187  -0.233963   0.149824
+    1SOL     H6    6   0.198250  -0.104135   0.227179
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/102/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076078   0.047820  -0.032981
+    0SOL     H3    3   0.051782   0.066069   0.045998
+    1SOL     O4    4  -0.336902  -0.011628  -0.008405
+    1SOL     H5    5  -0.281683  -0.064754  -0.065770
+    1SOL     H6    6  -0.277882   0.018257   0.060775
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/103/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051838   0.073923  -0.031787
+    0SOL     H3    3   0.061345   0.038781   0.062411
+    1SOL     O4    4   0.327343   0.012951   0.033271
+    1SOL     H5    5   0.371334  -0.046694  -0.027307
+    1SOL     H6    6   0.396789   0.070940   0.064527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/104/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024914   0.074936   0.054094
+    0SOL     H3    3   0.052864  -0.054890   0.057921
+    1SOL     O4    4   0.154934  -0.171506   0.152692
+    1SOL     H5    5   0.197875  -0.212117   0.077399
+    1SOL     H6    6   0.104760  -0.242444   0.192849
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/105/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053656   0.054622   0.057444
+    0SOL     H3    3   0.065754   0.059838  -0.035471
+    1SOL     O4    4  -0.157723   0.170280   0.167390
+    1SOL     H5    5  -0.225629   0.193317   0.103983
+    1SOL     H6    6  -0.200616   0.109266   0.227388
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/106/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049387  -0.066415  -0.048086
+    0SOL     H3    3   0.061285   0.032354   0.066028
+    1SOL     O4    4   0.172058   0.149691  -0.169440
+    1SOL     H5    5   0.126576   0.208410  -0.109059
+    1SOL     H6    6   0.207968   0.207554  -0.236706
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/107/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070875  -0.039652   0.050663
+    0SOL     H3    3   0.042553   0.069052  -0.050827
+    1SOL     O4    4  -0.164430  -0.183272   0.183848
+    1SOL     H5    5  -0.212352  -0.126831   0.123184
+    1SOL     H6    6  -0.232472  -0.224739   0.236886
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/108/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063352   0.050930   0.050547
+    0SOL     H3    3  -0.049129  -0.030522  -0.076270
+    1SOL     O4    4  -0.139404   0.157694  -0.175542
+    1SOL     H5    5  -0.198202   0.130260  -0.105168
+    1SOL     H6    6  -0.096726   0.236459  -0.141823
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/109/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048805  -0.071751   0.040401
+    0SOL     H3    3   0.067555   0.022154   0.064092
+    1SOL     O4    4  -0.168082   0.185664   0.154659
+    1SOL     H5    5  -0.119303   0.111616   0.190711
+    1SOL     H6    6  -0.101134   0.241637   0.115322
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/110/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079169   0.042421  -0.033090
+    0SOL     H3    3  -0.035635  -0.046631  -0.075618
+    1SOL     O4    4  -0.162854  -0.173984  -0.158604
+    1SOL     H5    5  -0.090609  -0.205640  -0.212834
+    1SOL     H6    6  -0.202107  -0.253340  -0.122215
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/111/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066056   0.059651   0.035225
+    0SOL     H3    3  -0.043355  -0.042988  -0.073720
+    1SOL     O4    4   0.151528   0.164679   0.166512
+    1SOL     H5    5   0.185280   0.096516   0.108401
+    1SOL     H6    6   0.229223   0.199696   0.210096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/112/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033940  -0.070083   0.055667
+    0SOL     H3    3   0.051899   0.054572   0.059082
+    1SOL     O4    4   0.172320  -0.167377  -0.144342
+    1SOL     H5    5   0.122691  -0.105807  -0.090412
+    1SOL     H6    6   0.238547  -0.113447  -0.187560
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2   0.042018  -0.038191  -0.077060
+    0SOL     H3    3  -0.074082   0.049431  -0.035082
+    1SOL     O4    4   0.151620  -0.173800   0.180346
+    1SOL     H5    5   0.101514  -0.116422   0.238307
+    1SOL     H6    6   0.201255  -0.114021   0.124443
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066491  -0.063475   0.026685
+    0SOL     H3    3   0.046294   0.021715   0.080918
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+    1SOL     H5    5   0.216236   0.110178   0.260944
+    1SOL     H6    6   0.175388   0.210259   0.154953
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+    6
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+    0SOL     H2    2   0.066169  -0.044157  -0.053237
+    0SOL     H3    3  -0.047392  -0.071068   0.043192
+    1SOL     O4    4   0.170228   0.170762   0.167240
+    1SOL     H5    5   0.228491   0.128609   0.230413
+    1SOL     H6    6   0.119518   0.098813   0.129636
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051579   0.053185  -0.060608
+    0SOL     H3    3  -0.055763  -0.053491  -0.056494
+    1SOL     O4    4   0.182009   0.191211  -0.164187
+    1SOL     H5    5   0.129320   0.253609  -0.214113
+    1SOL     H6    6   0.217479   0.242469  -0.091546
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+    6
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+    0SOL     H2    2  -0.079913  -0.036981   0.037533
+    0SOL     H3    3   0.035728   0.055373   0.069424
+    1SOL     O4    4   0.171866   0.192087   0.171335
+    1SOL     H5    5   0.115059   0.261018   0.205742
+    1SOL     H6    6   0.213639   0.154508   0.248828
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064326   0.054985  -0.044733
+    0SOL     H3    3   0.045803   0.059831   0.059031
+    1SOL     O4    4  -0.007010  -0.311532  -0.016638
+    1SOL     H5    5  -0.048175  -0.235068  -0.056898
+    1SOL     H6    6  -0.080311  -0.367176   0.009687
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045324  -0.053692   0.065002
+    0SOL     H3    3  -0.054745  -0.061905  -0.048302
+    1SOL     O4    4   0.155791  -0.177480  -0.155047
+    1SOL     H5    5   0.239065  -0.193114  -0.199583
+    1SOL     H6    6   0.116982  -0.103620  -0.201960
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073892   0.053742   0.028531
+    0SOL     H3    3  -0.038101  -0.062254  -0.061928
+    1SOL     O4    4   0.162008   0.183491  -0.191621
+    1SOL     H5    5   0.083322   0.144038  -0.154013
+    1SOL     H6    6   0.206776   0.223495  -0.117070
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054877  -0.059078   0.051581
+    0SOL     H3    3   0.061749   0.048255  -0.054962
+    1SOL     O4    4  -0.173515  -0.175777   0.158407
+    1SOL     H5    5  -0.241540  -0.210735   0.215963
+    1SOL     H6    6  -0.111041  -0.134015   0.217697
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063512  -0.021458  -0.068323
+    0SOL     H3    3  -0.055938  -0.077446   0.005947
+    1SOL     O4    4   0.019921  -0.030793   0.312905
+    1SOL     H5    5  -0.014985  -0.086718   0.382304
+    1SOL     H6    6   0.077220   0.030945   0.358376
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+    6
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+    0SOL     H2    2  -0.059943   0.026927  -0.069599
+    0SOL     H3    3   0.065894  -0.053377  -0.044398
+    1SOL     O4    4   0.177639  -0.152586   0.132720
+    1SOL     H5    5   0.112492  -0.105569   0.184755
+    1SOL     H6    6   0.235311  -0.193167   0.197447
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066745   0.062641   0.027992
+    0SOL     H3    3  -0.037690  -0.042373  -0.077113
+    1SOL     O4    4   0.160056  -0.154293   0.161490
+    1SOL     H5    5   0.217235  -0.221509   0.124412
+    1SOL     H6    6   0.120070  -0.112163   0.085408
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052580  -0.051077  -0.061553
+    0SOL     H3    3  -0.060253   0.049667  -0.055363
+    1SOL     O4    4   0.163190  -0.181147   0.150502
+    1SOL     H5    5   0.111551  -0.118206   0.200842
+    1SOL     H6    6   0.218987  -0.127120   0.094555
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047804   0.060092  -0.057149
+    0SOL     H3    3   0.043270   0.056811   0.063738
+    1SOL     O4    4   0.177260  -0.166273   0.177513
+    1SOL     H5    5   0.124966  -0.098136   0.219763
+    1SOL     H6    6   0.114744  -0.214304   0.123225
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/127/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082514   0.021687  -0.043398
+    0SOL     H3    3  -0.022877  -0.069527   0.061684
+    1SOL     O4    4  -0.221490   0.145338   0.191907
+    1SOL     H5    5  -0.157073   0.094875   0.241567
+    1SOL     H6    6  -0.170115   0.212918   0.147682
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/128/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035316   0.067805   0.057598
+    0SOL     H3    3   0.022762   0.046411  -0.080562
+    1SOL     O4    4   0.159194   0.183948   0.135632
+    1SOL     H5    5   0.208796   0.114274   0.092650
+    1SOL     H6    6   0.224544   0.232224   0.186238
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/129/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061736  -0.041262   0.060402
+    0SOL     H3    3   0.052564   0.057872   0.055228
+    1SOL     O4    4   0.151279   0.155256   0.163407
+    1SOL     H5    5   0.082844   0.205264   0.207885
+    1SOL     H6    6   0.205364   0.221533   0.120460
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/130/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048863  -0.015499   0.080836
+    0SOL     H3    3   0.004364  -0.083262  -0.047019
+    1SOL     O4    4   0.163033   0.167749  -0.141132
+    1SOL     H5    5   0.109691   0.209864  -0.208535
+    1SOL     H6    6   0.116141   0.086904  -0.120455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/131/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050934   0.019174  -0.078743
+    0SOL     H3    3  -0.079836  -0.041554  -0.032587
+    1SOL     O4    4   0.161438  -0.179523   0.131933
+    1SOL     H5    5   0.244407  -0.184176   0.084426
+    1SOL     H6    6   0.110826  -0.112943   0.085373
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050486  -0.051536   0.062909
+    0SOL     H3    3   0.067729   0.042478   0.052637
+    1SOL     O4    4   0.172916   0.163358   0.184971
+    1SOL     H5    5   0.117131   0.212046   0.245633
+    1SOL     H6    6   0.246191   0.133217   0.238678
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2   0.066278  -0.049547  -0.048110
+    0SOL     H3    3   0.050223   0.057039   0.058194
+    1SOL     O4    4   0.164807   0.192778   0.189752
+    1SOL     H5    5   0.202285   0.123822   0.244550
+    1SOL     H6    6   0.235291   0.216514   0.129495
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2   0.056852  -0.059922  -0.048368
+    0SOL     H3    3  -0.043589  -0.055335   0.064810
+    1SOL     O4    4   0.189094  -0.147141  -0.151499
+    1SOL     H5    5   0.257075  -0.195488  -0.104557
+    1SOL     H6    6   0.237098  -0.083057  -0.203951
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045742  -0.040633  -0.073613
+    0SOL     H3    3  -0.058621   0.063918  -0.040502
+    1SOL     O4    4   0.168516   0.152477   0.201517
+    1SOL     H5    5   0.103405   0.212059   0.238569
+    1SOL     H6    6   0.122211   0.107122   0.131082
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055270   0.049382   0.060572
+    0SOL     H3    3   0.056188  -0.052989   0.056546
+    1SOL     O4    4  -0.158681  -0.151380   0.183162
+    1SOL     H5    5  -0.213353  -0.092975   0.130605
+    1SOL     H6    6  -0.213949  -0.175574   0.257475
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/137/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.057984  -0.050094  -0.057365
+    0SOL     H3    3   0.047572   0.081269   0.017161
+    1SOL     O4    4   0.183506  -0.170631   0.138306
+    1SOL     H5    5   0.132935  -0.108636   0.190855
+    1SOL     H6    6   0.119135  -0.210636   0.079840
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053554  -0.059607  -0.052357
+    0SOL     H3    3  -0.069498  -0.055282   0.035725
+    1SOL     O4    4   0.014584   0.002602  -0.313565
+    1SOL     H5    5   0.079433  -0.040758  -0.369034
+    1SOL     H6    6   0.065731   0.062519  -0.259193
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/139/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078458  -0.046778   0.028611
+    0SOL     H3    3   0.033411   0.076226  -0.047283
+    1SOL     O4    4   0.181425  -0.172160   0.167365
+    1SOL     H5    5   0.115336  -0.213426   0.222968
+    1SOL     H6    6   0.215396  -0.099853   0.220091
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078460   0.029589   0.046162
+    0SOL     H3    3   0.050301  -0.047480   0.066165
+    1SOL     O4    4  -0.013074  -0.000790  -0.299516
+    1SOL     H5    5   0.052811  -0.055487  -0.256740
+    1SOL     H6    6  -0.068080  -0.062644  -0.347586
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2  -0.041361  -0.082238  -0.026239
+    0SOL     H3    3   0.055873  -0.023777   0.073995
+    1SOL     O4    4   0.164551   0.127601  -0.145171
+    1SOL     H5    5   0.116682   0.177491  -0.211366
+    1SOL     H6    6   0.098857   0.069586  -0.106686
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.063907  -0.050095  -0.050683
+    0SOL     H3    3  -0.051582  -0.066331   0.045845
+    1SOL     O4    4  -0.147316  -0.177591  -0.155203
+    1SOL     H5    5  -0.111491  -0.241644  -0.093753
+    1SOL     H6    6  -0.073814  -0.155486  -0.212396
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066778   0.068067   0.008365
+    0SOL     H3    3   0.061176   0.034275  -0.065154
+    1SOL     O4    4  -0.029473  -0.015358   0.325387
+    1SOL     H5    5   0.048695   0.033226   0.299087
+    1SOL     H6    6  -0.060710  -0.056112   0.244606
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+    6
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+    0SOL     H2    2  -0.060380   0.031199   0.067403
+    0SOL     H3    3   0.045670  -0.073529   0.040866
+    1SOL     O4    4  -0.189693  -0.195214  -0.151278
+    1SOL     H5    5  -0.138959  -0.237586  -0.220509
+    1SOL     H6    6  -0.124418  -0.149541  -0.098216
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053843   0.064278  -0.046169
+    0SOL     H3    3   0.060378   0.052545   0.052496
+    1SOL     O4    4   0.143378  -0.156416   0.180651
+    1SOL     H5    5   0.196973  -0.235188   0.189867
+    1SOL     H6    6   0.096447  -0.168837   0.098155
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051925   0.067922   0.043042
+    0SOL     H3    3   0.036547   0.043084  -0.077268
+    1SOL     O4    4   0.140372   0.169427   0.179198
+    1SOL     H5    5   0.184914   0.115178   0.114119
+    1SOL     H6    6   0.066750   0.208143   0.131834
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040742   0.061105   0.061389
+    0SOL     H3    3   0.003392   0.047872  -0.082819
+    1SOL     O4    4  -0.148459  -0.179932   0.160182
+    1SOL     H5    5  -0.167647  -0.109662   0.098082
+    1SOL     H6    6  -0.232167  -0.197506   0.203151
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059378  -0.057402   0.048390
+    0SOL     H3    3   0.043243   0.052237   0.067555
+    1SOL     O4    4  -0.163264   0.148676   0.158784
+    1SOL     H5    5  -0.196611   0.224188   0.207243
+    1SOL     H6    6  -0.105134   0.186328   0.092711
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054238  -0.057818  -0.053644
+    0SOL     H3    3  -0.066810   0.032869  -0.060154
+    1SOL     O4    4  -0.156923  -0.187745  -0.153616
+    1SOL     H5    5  -0.084994  -0.249653  -0.141128
+    1SOL     H6    6  -0.128054  -0.131613  -0.225575
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+    6
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+    0SOL     H2    2  -0.010111  -0.055518   0.077317
+    0SOL     H3    3   0.094619   0.010928  -0.009491
+    1SOL     O4    4  -0.167160   0.180715   0.182348
+    1SOL     H5    5  -0.121756   0.126361   0.117956
+    1SOL     H6    6  -0.212487   0.118157   0.238867
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069921  -0.033398   0.056196
+    0SOL     H3    3   0.044090   0.060187  -0.059966
+    1SOL     O4    4  -0.160253  -0.189201  -0.172327
+    1SOL     H5    5  -0.208357  -0.110021  -0.196389
+    1SOL     H6    6  -0.107529  -0.163223  -0.096779
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062620   0.060242  -0.040149
+    0SOL     H3    3  -0.048867  -0.041594   0.071023
+    1SOL     O4    4  -0.181594   0.175846  -0.150966
+    1SOL     H5    5  -0.163573   0.255251  -0.201290
+    1SOL     H6    6  -0.247735   0.129414  -0.202266
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.038836   0.057434  -0.065996
+    0SOL     H3    3  -0.074678  -0.044662   0.039886
+    1SOL     O4    4   0.161688   0.158205   0.165770
+    1SOL     H5    5   0.115710   0.218519   0.224170
+    1SOL     H6    6   0.095586   0.131623   0.101847
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+    6
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+    0SOL     H2    2   0.042385  -0.073923  -0.043604
+    0SOL     H3    3   0.065034   0.031267   0.062891
+    1SOL     O4    4   0.013979  -0.008823  -0.299686
+    1SOL     H5    5  -0.006079  -0.081161  -0.240296
+    1SOL     H6    6   0.070381   0.049238  -0.248597
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057332  -0.056387   0.051923
+    0SOL     H3    3   0.042503   0.056744   0.064311
+    1SOL     O4    4  -0.193043  -0.180798  -0.128789
+    1SOL     H5    5  -0.241826  -0.141801  -0.056251
+    1SOL     H6    6  -0.140119  -0.249345  -0.088013
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074474   0.038898  -0.045858
+    0SOL     H3    3  -0.042826  -0.054696  -0.065852
+    1SOL     O4    4  -0.162039   0.164099  -0.176173
+    1SOL     H5    5  -0.111546   0.109682  -0.236601
+    1SOL     H6    6  -0.096189   0.215410  -0.129341
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069739  -0.049949  -0.042471
+    0SOL     H3    3  -0.046971   0.041784  -0.072181
+    1SOL     O4    4  -0.013318  -0.014045   0.321088
+    1SOL     H5    5  -0.054829   0.058686   0.274725
+    1SOL     H6    6   0.042405   0.027946   0.386617
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028883  -0.058085   0.070386
+    0SOL     H3    3  -0.080818  -0.039818  -0.032332
+    1SOL     O4    4   0.183451  -0.185720  -0.152553
+    1SOL     H5    5   0.120644  -0.146226  -0.213032
+    1SOL     H6    6   0.236299  -0.112219  -0.121455
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052201   0.030084   0.074380
+    0SOL     H3    3   0.042880  -0.079606   0.031408
+    1SOL     O4    4   0.184795   0.165101  -0.138256
+    1SOL     H5    5   0.126452   0.214136  -0.196170
+    1SOL     H6    6   0.126072   0.112481  -0.083986
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056991  -0.044772   0.062528
+    0SOL     H3    3  -0.055175  -0.069376  -0.036125
+    1SOL     O4    4  -0.152203  -0.144437  -0.198622
+    1SOL     H5    5  -0.099223  -0.204879  -0.250605
+    1SOL     H6    6  -0.199160  -0.091883  -0.263395
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066034  -0.057210  -0.039100
+    0SOL     H3    3  -0.044506  -0.055177   0.064320
+    1SOL     O4    4  -0.171782   0.173355   0.173512
+    1SOL     H5    5  -0.125283   0.109620   0.227715
+    1SOL     H6    6  -0.102514   0.226071   0.133696
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.079105   0.048001   0.024507
+    0SOL     H3    3   0.042526   0.055571  -0.065312
+    1SOL     O4    4   0.139756  -0.145408   0.192932
+    1SOL     H5    5   0.095029  -0.093493   0.126099
+    1SOL     H6    6   0.211918  -0.187563   0.146264
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073375  -0.013655   0.059932
+    0SOL     H3    3   0.047213   0.074829   0.036523
+    1SOL     O4    4   0.151950  -0.159498  -0.165191
+    1SOL     H5    5   0.109410  -0.112099  -0.093734
+    1SOL     H6    6   0.080591  -0.205730  -0.209154
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042945  -0.055086  -0.065449
+    0SOL     H3    3   0.071601   0.047776   0.041869
+    1SOL     O4    4   0.174246   0.183162  -0.153327
+    1SOL     H5    5   0.121143   0.254957  -0.118860
+    1SOL     H6    6   0.223914   0.222381  -0.225142
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055009   0.061110  -0.049010
+    0SOL     H3    3   0.055418   0.055941   0.054422
+    1SOL     O4    4   0.012053  -0.334574   0.015312
+    1SOL     H5    5   0.081523  -0.375750  -0.036076
+    1SOL     H6    6  -0.056318  -0.314408  -0.048572
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/166/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045182  -0.048740  -0.068887
+    0SOL     H3    3  -0.023211  -0.066294   0.065028
+    1SOL     O4    4   0.166713  -0.158039  -0.152251
+    1SOL     H5    5   0.222833  -0.211278  -0.095874
+    1SOL     H6    6   0.118985  -0.221635  -0.205542
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035746  -0.073326   0.050078
+    0SOL     H3    3   0.074256   0.032958  -0.050617
+    1SOL     O4    4  -0.157713   0.152613   0.170076
+    1SOL     H5    5  -0.096498   0.090245   0.131020
+    1SOL     H6    6  -0.215276   0.098872   0.224489
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019534   0.077664  -0.052431
+    0SOL     H3    3  -0.058950  -0.051771  -0.054837
+    1SOL     O4    4  -0.008528   0.009239  -0.314710
+    1SOL     H5    5  -0.050087   0.074289  -0.258109
+    1SOL     H6    6  -0.076771  -0.015320  -0.377177
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070113  -0.046368   0.045787
+    0SOL     H3    3   0.040660   0.054547   0.067332
+    1SOL     O4    4  -0.122610   0.167849  -0.166606
+    1SOL     H5    5  -0.099807   0.088950  -0.117441
+    1SOL     H6    6  -0.212563   0.152846  -0.195686
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056201  -0.046376   0.062073
+    0SOL     H3    3   0.038122   0.071515   0.050938
+    1SOL     O4    4  -0.184566  -0.158455   0.168249
+    1SOL     H5    5  -0.253683  -0.116810   0.219736
+    1SOL     H6    6  -0.130839  -0.204310   0.232849
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/171/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047417  -0.057678   0.059893
+    0SOL     H3    3  -0.083892  -0.043858  -0.014173
+    1SOL     O4    4   0.145083   0.172676  -0.141819
+    1SOL     H5    5   0.082047   0.230663  -0.184555
+    1SOL     H6    6   0.093320   0.124134  -0.077581
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071588   0.038156  -0.050809
+    0SOL     H3    3  -0.043558  -0.050233   0.068860
+    1SOL     O4    4   0.167380  -0.185036   0.166546
+    1SOL     H5    5   0.127078  -0.128944   0.232816
+    1SOL     H6    6   0.224023  -0.126247   0.116569
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065367  -0.056599  -0.041061
+    0SOL     H3    3   0.046764   0.042389   0.071963
+    1SOL     O4    4  -0.170560   0.167099  -0.187014
+    1SOL     H5    5  -0.122669   0.097903  -0.141400
+    1SOL     H6    6  -0.105885   0.236444  -0.200083
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056745   0.062616  -0.044963
+    0SOL     H3    3  -0.060359  -0.058551   0.045727
+    1SOL     O4    4   0.028206  -0.001260   0.324079
+    1SOL     H5    5   0.079351  -0.064513   0.273625
+    1SOL     H6    6  -0.061651  -0.033921   0.319467
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066294   0.056463  -0.039741
+    0SOL     H3    3  -0.039368  -0.046447  -0.073859
+    1SOL     O4    4  -0.155618  -0.181358   0.192687
+    1SOL     H5    5  -0.114954  -0.219927   0.115091
+    1SOL     H6    6  -0.223831  -0.243737   0.217550
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067503  -0.059874  -0.031949
+    0SOL     H3    3  -0.075776  -0.017247  -0.055882
+    1SOL     O4    4  -0.018340  -0.041421   0.324576
+    1SOL     H5    5  -0.061795   0.003113   0.251839
+    1SOL     H6    6   0.042160   0.023784   0.359937
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053816   0.008896   0.078657
+    0SOL     H3    3  -0.042518  -0.085228   0.009524
+    1SOL     O4    4  -0.164964  -0.181446  -0.158317
+    1SOL     H5    5  -0.213487  -0.107400  -0.194720
+    1SOL     H6    6  -0.231534  -0.234686  -0.114772
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078110   0.049782   0.024144
+    0SOL     H3    3   0.041266   0.052036  -0.068932
+    1SOL     O4    4  -0.170933   0.154442  -0.186101
+    1SOL     H5    5  -0.114042   0.104056  -0.244299
+    1SOL     H6    6  -0.200196   0.228440  -0.239301
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051645   0.064314   0.048569
+    0SOL     H3    3  -0.064099  -0.064307  -0.030303
+    1SOL     O4    4   0.170846  -0.188695  -0.145863
+    1SOL     H5    5   0.238949  -0.241396  -0.187660
+    1SOL     H6    6   0.122552  -0.149717  -0.218737
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.047104  -0.061332  -0.056408
+    0SOL     H3    3   0.067483   0.036840   0.057020
+    1SOL     O4    4   0.178483  -0.166912   0.171920
+    1SOL     H5    5   0.119964  -0.117497   0.229332
+    1SOL     H6    6   0.123269  -0.235790   0.134913
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046511   0.052929  -0.064789
+    0SOL     H3    3  -0.068372  -0.052410   0.041724
+    1SOL     O4    4   0.143429  -0.184520  -0.166176
+    1SOL     H5    5   0.076762  -0.127037  -0.128580
+    1SOL     H6    6   0.095877  -0.238122  -0.229642
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059011  -0.061073  -0.044159
+    0SOL     H3    3  -0.056262   0.033673  -0.069735
+    1SOL     O4    4  -0.182277  -0.164797   0.124388
+    1SOL     H5    5  -0.112235  -0.210249   0.171191
+    1SOL     H6    6  -0.139481  -0.088685   0.085176
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+    6
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+    0SOL     H2    2   0.034719  -0.056703  -0.068860
+    0SOL     H3    3  -0.056290  -0.057248   0.052119
+    1SOL     O4    4   0.156287  -0.162738   0.173796
+    1SOL     H5    5   0.200373  -0.089684   0.130416
+    1SOL     H6    6   0.105443  -0.204708   0.104400
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+    6
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+    0SOL     H2    2   0.046690   0.038054  -0.074393
+    0SOL     H3    3  -0.054045  -0.069061  -0.038367
+    1SOL     O4    4  -0.148248   0.175198  -0.166237
+    1SOL     H5    5  -0.197597   0.230102  -0.227167
+    1SOL     H6    6  -0.215070   0.124608  -0.120001
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+    6
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+    0SOL     H2    2   0.033706  -0.059207  -0.067236
+    0SOL     H3    3  -0.050612  -0.056411   0.058468
+    1SOL     O4    4   0.122816   0.192518   0.138431
+    1SOL     H5    5   0.175529   0.234882   0.070689
+    1SOL     H6    6   0.071957   0.126433   0.091438
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052096   0.052926   0.060392
+    0SOL     H3    3   0.040670   0.063681  -0.058762
+    1SOL     O4    4  -0.166702   0.172302  -0.173919
+    1SOL     H5    5  -0.242262   0.190811  -0.229690
+    1SOL     H6    6  -0.196324   0.102201  -0.115862
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037589  -0.064713   0.059679
+    0SOL     H3    3  -0.062543  -0.049572  -0.052852
+    1SOL     O4    4  -0.158038  -0.158921   0.158548
+    1SOL     H5    5  -0.219361  -0.111682   0.102242
+    1SOL     H6    6  -0.213807  -0.208022   0.218890
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.007252  -0.085908  -0.041588
+    0SOL     H3    3  -0.055463   0.050744  -0.059256
+    1SOL     O4    4  -0.179585   0.138122   0.165501
+    1SOL     H5    5  -0.122947   0.087074   0.223367
+    1SOL     H6    6  -0.125004   0.211428   0.137049
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053380   0.046303   0.064567
+    0SOL     H3    3   0.042100  -0.070222   0.049586
+    1SOL     O4    4  -0.021049   0.009387   0.323909
+    1SOL     H5    5  -0.068122   0.074697   0.375688
+    1SOL     H6    6   0.003510  -0.058185   0.387101
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/190/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044501  -0.074850   0.039742
+    0SOL     H3    3  -0.056265  -0.038451  -0.067216
+    1SOL     O4    4  -0.182333   0.150978  -0.145111
+    1SOL     H5    5  -0.121208   0.113113  -0.208297
+    1SOL     H6    6  -0.126503   0.196057  -0.081761
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+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/191/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.075625  -0.025030  -0.053072
+    0SOL     H3    3  -0.063522   0.033753  -0.063151
+    1SOL     O4    4   0.190598   0.164148  -0.157339
+    1SOL     H5    5   0.258502   0.100853  -0.133992
+    1SOL     H6    6   0.126560   0.113361  -0.207161
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042772   0.073664   0.043664
+    0SOL     H3    3  -0.064522  -0.030973  -0.063560
+    1SOL     O4    4  -0.147480  -0.175506   0.150074
+    1SOL     H5    5  -0.224008  -0.196258   0.203694
+    1SOL     H6    6  -0.105217  -0.102750   0.195712
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040675   0.070197   0.050796
+    0SOL     H3    3   0.054126   0.045384  -0.064599
+    1SOL     O4    4   0.006457  -0.315601  -0.021728
+    1SOL     H5    5  -0.066847  -0.265429   0.013932
+    1SOL     H6    6   0.030989  -0.375603   0.048702
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/194/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059282  -0.060044  -0.045197
+    0SOL     H3    3  -0.053063  -0.056447   0.056217
+    1SOL     O4    4   0.189520   0.169235  -0.175765
+    1SOL     H5    5   0.242462   0.227463  -0.230253
+    1SOL     H6    6   0.137947   0.118229  -0.238223
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/195/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.043010  -0.052681  -0.067359
+    0SOL     H3    3  -0.059429   0.057193  -0.048574
+    1SOL     O4    4   0.128380   0.188009  -0.193739
+    1SOL     H5    5   0.082795   0.231896  -0.121918
+    1SOL     H6    6   0.200314   0.141133  -0.151424
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060169  -0.051878   0.053392
+    0SOL     H3    3  -0.055277  -0.064794  -0.043687
+    1SOL     O4    4  -0.160511  -0.141657   0.178489
+    1SOL     H5    5  -0.097292  -0.203628   0.142086
+    1SOL     H6    6  -0.217723  -0.195229   0.233435
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/197/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.051288  -0.066339   0.046163
+    0SOL     H3    3  -0.043959  -0.048134  -0.070093
+    1SOL     O4    4  -0.183994  -0.156584  -0.187755
+    1SOL     H5    5  -0.139003  -0.208157  -0.254676
+    1SOL     H6    6  -0.258543  -0.117708  -0.233508
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080564  -0.029906   0.042159
+    0SOL     H3    3  -0.045212  -0.080516  -0.025206
+    1SOL     O4    4  -0.144340  -0.145936   0.209969
+    1SOL     H5    5  -0.098203  -0.218636   0.168155
+    1SOL     H6    6  -0.223779  -0.185427   0.245917
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/199/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053914   0.044966  -0.065067
+    0SOL     H3    3  -0.065696  -0.046841  -0.051501
+    1SOL     O4    4   0.171864   0.148958  -0.146176
+    1SOL     H5    5   0.123967   0.190001  -0.218174
+    1SOL     H6    6   0.235166   0.215247  -0.118593
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/200/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083300  -0.034543  -0.032096
+    0SOL     H3    3   0.024185   0.056991   0.073003
+    1SOL     O4    4  -0.161858  -0.168261  -0.177325
+    1SOL     H5    5  -0.221797  -0.101509  -0.143951
+    1SOL     H6    6  -0.126724  -0.210355  -0.098865
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061596   0.048558   0.054867
+    0SOL     H3    3  -0.049201  -0.019635  -0.079725
+    1SOL     O4    4   0.004724  -0.311437   0.002850
+    1SOL     H5    5  -0.052632  -0.262610   0.061914
+    1SOL     H6    6   0.049612  -0.244030  -0.048176
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051693   0.057374   0.056554
+    0SOL     H3    3  -0.064267  -0.040613  -0.058160
+    1SOL     O4    4   0.140530   0.138049  -0.193670
+    1SOL     H5    5   0.075468   0.182712  -0.247841
+    1SOL     H6    6   0.089804   0.099102  -0.122450
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/203/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067388  -0.051500  -0.044373
+    0SOL     H3    3  -0.033272   0.059195  -0.067463
+    1SOL     O4    4   0.176543   0.151187  -0.182036
+    1SOL     H5    5   0.233675   0.224166  -0.205961
+    1SOL     H6    6   0.128188   0.131281  -0.262210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/204/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.045882   0.066815   0.050921
+    0SOL     H3    3  -0.065509  -0.032159  -0.061941
+    1SOL     O4    4  -0.192894   0.143747   0.158005
+    1SOL     H5    5  -0.227565   0.203440   0.091696
+    1SOL     H6    6  -0.270524   0.108642   0.201636
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/205/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055642   0.061689   0.047548
+    0SOL     H3    3   0.059523   0.055386  -0.050515
+    1SOL     O4    4   0.203685   0.148383   0.179828
+    1SOL     H5    5   0.276420   0.150430   0.242018
+    1SOL     H6    6   0.239208   0.104024   0.102804
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/206/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087184  -0.034944   0.018445
+    0SOL     H3    3   0.015511   0.072444  -0.060611
+    1SOL     O4    4  -0.007057  -0.346465  -0.017215
+    1SOL     H5    5  -0.047475  -0.285548   0.044573
+    1SOL     H6    6   0.057510  -0.293681  -0.064197
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/207/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024920  -0.073112  -0.056533
+    0SOL     H3    3  -0.086392  -0.023959   0.033537
+    1SOL     O4    4   0.159275  -0.184511   0.120386
+    1SOL     H5    5   0.201820  -0.123986   0.059649
+    1SOL     H6    6   0.098166  -0.234146   0.065940
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/208/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050095   0.048575   0.065523
+    0SOL     H3    3   0.029392   0.066705  -0.062039
+    1SOL     O4    4  -0.348432   0.004623  -0.006480
+    1SOL     H5    5  -0.419582   0.055488   0.032413
+    1SOL     H6    6  -0.315551  -0.049455   0.065330
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/209/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.069662   0.015683   0.063746
+    0SOL     H3    3  -0.002273   0.076593  -0.057365
+    1SOL     O4    4  -0.169346  -0.158237   0.142853
+    1SOL     H5    5  -0.136731  -0.224336   0.081784
+    1SOL     H6    6  -0.226416  -0.102635   0.089809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/210/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013587  -0.087724   0.035808
+    0SOL     H3    3  -0.054945  -0.013817  -0.077152
+    1SOL     O4    4  -0.195525  -0.175936  -0.168446
+    1SOL     H5    5  -0.237948  -0.111312  -0.224895
+    1SOL     H6    6  -0.264961  -0.205736  -0.109685
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/211/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053068  -0.045045  -0.065705
+    0SOL     H3    3  -0.044668  -0.070341   0.047108
+    1SOL     O4    4   0.163709   0.158708  -0.192090
+    1SOL     H5    5   0.219604   0.095839  -0.146423
+    1SOL     H6    6   0.224419   0.211694  -0.243754
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/212/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048313  -0.012096   0.081743
+    0SOL     H3    3   0.035589   0.088652   0.006051
+    1SOL     O4    4   0.315003   0.024127   0.027662
+    1SOL     H5    5   0.383632  -0.005275  -0.032237
+    1SOL     H6    6   0.273468  -0.056584   0.058042
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/213/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018193   0.054328   0.076680
+    0SOL     H3    3   0.063422   0.050617  -0.050773
+    1SOL     O4    4   0.034781   0.004417   0.324659
+    1SOL     H5    5  -0.033294   0.053737   0.370436
+    1SOL     H6    6   0.085124   0.070917   0.277694
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/214/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051823  -0.047040   0.065299
+    0SOL     H3    3   0.053273   0.060989   0.051035
+    1SOL     O4    4   0.157615   0.153721   0.164935
+    1SOL     H5    5   0.106474   0.216989   0.215373
+    1SOL     H6    6   0.223417   0.121497   0.226530
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/215/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.047861  -0.051978   0.064575
+    0SOL     H3    3   0.024933   0.079589   0.046970
+    1SOL     O4    4  -0.196224  -0.122964  -0.168492
+    1SOL     H5    5  -0.130543  -0.066746  -0.127409
+    1SOL     H6    6  -0.184329  -0.109061  -0.262448
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/216/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.059055   0.070684  -0.026050
+    0SOL     H3    3   0.057190  -0.075778   0.012217
+    1SOL     O4    4   0.190644  -0.163153   0.149851
+    1SOL     H5    5   0.140111  -0.167568   0.231025
+    1SOL     H6    6   0.263055  -0.224292   0.163305
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056404  -0.046995  -0.061420
+    0SOL     H3    3  -0.045524  -0.068940   0.048344
+    1SOL     O4    4   0.182534   0.189834  -0.185906
+    1SOL     H5    5   0.236089   0.130417  -0.133335
+    1SOL     H6    6   0.245867   0.245526  -0.231177
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065428  -0.043282  -0.054847
+    0SOL     H3    3  -0.079254   0.001269  -0.053662
+    1SOL     O4    4  -0.216131  -0.171242   0.214725
+    1SOL     H5    5  -0.150111  -0.229518   0.252244
+    1SOL     H6    6  -0.171766  -0.128869   0.141250
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.041862   0.019738  -0.083788
+    0SOL     H3    3   0.070751  -0.060532  -0.022191
+    1SOL     O4    4   0.188345   0.158084  -0.160809
+    1SOL     H5    5   0.098115   0.184882  -0.143408
+    1SOL     H6    6   0.180811   0.068718  -0.194264
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049847   0.081490   0.006091
+    0SOL     H3    3  -0.056745  -0.059211  -0.049360
+    1SOL     O4    4   0.246619  -0.127820  -0.120301
+    1SOL     H5    5   0.256552  -0.070976  -0.196672
+    1SOL     H6    6   0.175405  -0.187318  -0.143769
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017657  -0.065686  -0.067349
+    0SOL     H3    3  -0.059787  -0.043460   0.060820
+    1SOL     O4    4   0.188363  -0.159219  -0.167915
+    1SOL     H5    5   0.257017  -0.177475  -0.103761
+    1SOL     H6    6   0.228515  -0.097569  -0.229147
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053286  -0.002652   0.079473
+    0SOL     H3    3  -0.050033  -0.050453  -0.064136
+    1SOL     O4    4  -0.157606  -0.186606  -0.192586
+    1SOL     H5    5  -0.202786  -0.114416  -0.236285
+    1SOL     H6    6  -0.223295  -0.223983  -0.133847
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077181  -0.046429   0.032400
+    0SOL     H3    3   0.034384   0.061272  -0.065006
+    1SOL     O4    4  -0.210207   0.173262   0.142692
+    1SOL     H5    5  -0.151324   0.141324   0.074318
+    1SOL     H6    6  -0.160096   0.241295   0.187666
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.054472  -0.021683   0.075664
+    0SOL     H3    3  -0.013230  -0.083558  -0.044781
+    1SOL     O4    4   0.365243   0.003006  -0.007412
+    1SOL     H5    5   0.437798  -0.041927   0.035937
+    1SOL     H6    6   0.407224   0.070661  -0.060543
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/225/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021003   0.004892  -0.093259
+    0SOL     H3    3  -0.075223  -0.059014   0.004596
+    1SOL     O4    4  -0.291989  -0.143453   0.079530
+    1SOL     H5    5  -0.320912  -0.111665   0.165059
+    1SOL     H6    6  -0.365391  -0.195749   0.047286
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/226/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019950   0.080114  -0.048436
+    0SOL     H3    3  -0.006017  -0.069682  -0.065350
+    1SOL     O4    4   0.018590   0.021131  -0.314937
+    1SOL     H5    5   0.035926   0.108898  -0.280897
+    1SOL     H6    6   0.051603   0.023274  -0.404758
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/227/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034915  -0.082437  -0.033874
+    0SOL     H3    3   0.054601   0.019718   0.076107
+    1SOL     O4    4   0.138043  -0.196972  -0.159546
+    1SOL     H5    5   0.179281  -0.206023  -0.073640
+    1SOL     H6    6   0.156141  -0.106620  -0.185455
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/228/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036544  -0.039042   0.079389
+    0SOL     H3    3  -0.079328  -0.050682  -0.017344
+    1SOL     O4    4   0.173642  -0.109438  -0.179733
+    1SOL     H5    5   0.104087  -0.073436  -0.124703
+    1SOL     H6    6   0.205478  -0.185661  -0.131372
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/229/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.007498  -0.022093   0.092833
+    0SOL     H3    3  -0.003754  -0.084336  -0.045119
+    1SOL     O4    4   0.141382  -0.195761  -0.140489
+    1SOL     H5    5   0.083578  -0.253941  -0.091132
+    1SOL     H6    6   0.182918  -0.141016  -0.073855
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/230/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020404   0.064311   0.067897
+    0SOL     H3    3   0.035681   0.051787  -0.072162
+    1SOL     O4    4  -0.016344   0.352245   0.022231
+    1SOL     H5    5   0.058224   0.293342   0.033731
+    1SOL     H6    6   0.013450   0.416364  -0.042293
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/231/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.033212  -0.069121  -0.057285
+    0SOL     H3    3   0.078015   0.035197   0.042862
+    1SOL     O4    4  -0.154693   0.164630  -0.186368
+    1SOL     H5    5  -0.200201   0.114291  -0.253876
+    1SOL     H6    6  -0.076047   0.113526  -0.167249
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/232/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032593   0.052820  -0.072870
+    0SOL     H3    3  -0.064863  -0.058164  -0.039649
+    1SOL     O4    4   0.166892  -0.178540  -0.108088
+    1SOL     H5    5   0.126223  -0.163583  -0.193438
+    1SOL     H6    6   0.119239  -0.120881  -0.048363
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/233/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055636  -0.049630   0.060033
+    0SOL     H3    3  -0.035960  -0.065882  -0.059404
+    1SOL     O4    4   0.172520  -0.174968   0.120822
+    1SOL     H5    5   0.134982  -0.246345   0.172383
+    1SOL     H6    6   0.203789  -0.112179   0.185953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/234/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051391   0.075025  -0.029874
+    0SOL     H3    3   0.069675   0.038324   0.053281
+    1SOL     O4    4   0.159685   0.145969   0.177265
+    1SOL     H5    5   0.070854   0.161032   0.209584
+    1SOL     H6    6   0.185337   0.229335   0.137838
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/235/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073348  -0.059153   0.016830
+    0SOL     H3    3  -0.013253  -0.004539  -0.094689
+    1SOL     O4    4   0.187755  -0.108848  -0.227986
+    1SOL     H5    5   0.247306  -0.170728  -0.270258
+    1SOL     H6    6   0.160265  -0.050096  -0.298376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/236/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053197   0.077202   0.019293
+    0SOL     H3    3   0.082248   0.035379  -0.033851
+    1SOL     O4    4   0.158492   0.183005  -0.129822
+    1SOL     H5    5   0.220493   0.255883  -0.132485
+    1SOL     H6    6   0.183066   0.127865  -0.204106
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/237/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029518   0.050441  -0.075807
+    0SOL     H3    3  -0.052506  -0.070826  -0.037270
+    1SOL     O4    4  -0.018538  -0.304363   0.002266
+    1SOL     H5    5  -0.084249  -0.288109   0.069942
+    1SOL     H6    6  -0.052249  -0.379621  -0.046336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/238/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056825   0.040293  -0.065648
+    0SOL     H3    3  -0.057593  -0.057635  -0.050236
+    1SOL     O4    4   0.177600  -0.177277   0.163582
+    1SOL     H5    5   0.161113  -0.192782   0.070576
+    1SOL     H6    6   0.266659  -0.209333   0.177837
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/239/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046895  -0.074359  -0.037868
+    0SOL     H3    3   0.059983   0.035240   0.065746
+    1SOL     O4    4  -0.032761  -0.003430  -0.348519
+    1SOL     H5    5  -0.114569  -0.049018  -0.328732
+    1SOL     H6    6  -0.023538   0.060908  -0.278249
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/240/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.060348  -0.050520  -0.054481
+    0SOL     H3    3  -0.025538   0.074149  -0.054882
+    1SOL     O4    4   0.009832  -0.000625   0.310211
+    1SOL     H5    5   0.071172   0.070671   0.292421
+    1SOL     H6    6  -0.021684  -0.027280   0.223848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/241/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.076861   0.010728   0.056032
+    0SOL     H3    3  -0.066982  -0.036440   0.057861
+    1SOL     O4    4   0.206160  -0.117141   0.197981
+    1SOL     H5    5   0.251444  -0.196272   0.168828
+    1SOL     H6    6   0.258310  -0.085433   0.271719
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/242/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070708   0.049063   0.041898
+    0SOL     H3    3   0.045853   0.064867  -0.053405
+    1SOL     O4    4   0.153768  -0.177897   0.190820
+    1SOL     H5    5   0.213061  -0.123023   0.242157
+    1SOL     H6    6   0.152631  -0.137398   0.104097
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/243/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.064259   0.026211  -0.065924
+    0SOL     H3    3  -0.060430  -0.057519  -0.046927
+    1SOL     O4    4  -0.203556   0.127345  -0.243607
+    1SOL     H5    5  -0.239229   0.206654  -0.283606
+    1SOL     H6    6  -0.180772   0.153607  -0.154425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/244/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063643   0.022012   0.068025
+    0SOL     H3    3   0.031443   0.084652  -0.031743
+    1SOL     O4    4  -0.191493  -0.115438  -0.210137
+    1SOL     H5    5  -0.254578  -0.110442  -0.281954
+    1SOL     H6    6  -0.146120  -0.031179  -0.212146
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/245/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042871  -0.070973   0.047825
+    0SOL     H3    3  -0.020298   0.078700   0.050564
+    1SOL     O4    4   0.188928  -0.170121  -0.071203
+    1SOL     H5    5   0.224284  -0.173698  -0.160082
+    1SOL     H6    6   0.124394  -0.099477  -0.073871
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/246/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032976  -0.073838  -0.051215
+    0SOL     H3    3   0.072011   0.022378   0.058957
+    1SOL     O4    4  -0.236571   0.118493  -0.117605
+    1SOL     H5    5  -0.142248   0.110103  -0.131570
+    1SOL     H6    6  -0.268049   0.166203  -0.194385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/247/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073466  -0.042129   0.044613
+    0SOL     H3    3   0.025264   0.071858   0.057970
+    1SOL     O4    4  -0.169361  -0.131175   0.160194
+    1SOL     H5    5  -0.240371  -0.091665   0.210780
+    1SOL     H6    6  -0.120634  -0.183364   0.223946
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/248/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.039987  -0.033275   0.080350
+    0SOL     H3    3   0.019252  -0.066775  -0.065824
+    1SOL     O4    4   0.186858  -0.139023  -0.144467
+    1SOL     H5    5   0.166864  -0.203765  -0.076857
+    1SOL     H6    6   0.244667  -0.076196  -0.101186
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/249/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.056447   0.060684   0.047890
+    0SOL     H3    3  -0.060394  -0.052905  -0.052115
+    1SOL     O4    4   0.172317  -0.145839  -0.159166
+    1SOL     H5    5   0.153817  -0.085279  -0.087384
+    1SOL     H6    6   0.260856  -0.123082  -0.187547
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/250/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067736  -0.033929  -0.058506
+    0SOL     H3    3   0.045602   0.063494   0.055238
+    1SOL     O4    4   0.214187   0.172235   0.141365
+    1SOL     H5    5   0.138477   0.220167   0.175019
+    1SOL     H6    6   0.247377   0.226796   0.070064
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/251/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077366  -0.042621   0.036881
+    0SOL     H3    3  -0.025873   0.091523  -0.010791
+    1SOL     O4    4   0.214692  -0.119469   0.097046
+    1SOL     H5    5   0.158539  -0.055702   0.052966
+    1SOL     H6    6   0.281807  -0.066576   0.140177
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/252/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066571   0.048185   0.049080
+    0SOL     H3    3   0.065350  -0.024220   0.065613
+    1SOL     O4    4   0.269338  -0.060676   0.031301
+    1SOL     H5    5   0.283676  -0.154986   0.039198
+    1SOL     H6    6   0.354112  -0.025730   0.003835
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/253/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041462  -0.071846   0.047763
+    0SOL     H3    3  -0.050675   0.046832   0.066341
+    1SOL     O4    4  -0.134496   0.121569   0.200125
+    1SOL     H5    5  -0.099691   0.097709   0.286041
+    1SOL     H6    6  -0.221184   0.081081   0.197262
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/254/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068295   0.030823   0.059565
+    0SOL     H3    3  -0.047187  -0.049133  -0.067243
+    1SOL     O4    4   0.234070  -0.083053   0.129915
+    1SOL     H5    5   0.321706  -0.051449   0.107926
+    1SOL     H6    6   0.176931  -0.042797   0.064517
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/255/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061541  -0.069281  -0.023981
+    0SOL     H3    3   0.044074  -0.033084   0.078264
+    1SOL     O4    4   0.133106  -0.215441  -0.155633
+    1SOL     H5    5   0.054789  -0.169790  -0.186369
+    1SOL     H6    6   0.204664  -0.154002  -0.171975
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/256/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088784   0.021532  -0.028568
+    0SOL     H3    3  -0.002668   0.008735   0.095283
+    1SOL     O4    4  -0.210056   0.092269   0.186490
+    1SOL     H5    5  -0.252575   0.096669   0.272135
+    1SOL     H6    6  -0.272923   0.046325   0.130818
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/257/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.028405   0.073188   0.054763
+    0SOL     H3    3  -0.003522   0.036223  -0.088531
+    1SOL     O4    4   0.171201  -0.185942  -0.121412
+    1SOL     H5    5   0.181770  -0.153385  -0.210803
+    1SOL     H6    6   0.133444  -0.112276  -0.073348
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/258/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000653  -0.093081   0.022312
+    0SOL     H3    3  -0.007729   0.044911   0.084176
+    1SOL     O4    4  -0.213562   0.158045   0.241166
+    1SOL     H5    5  -0.284568   0.194718   0.293849
+    1SOL     H6    6  -0.175455   0.233560   0.196358
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060195   0.030693   0.067800
+    0SOL     H3    3  -0.055968  -0.045321  -0.063055
+    1SOL     O4    4  -0.235464   0.114532   0.062873
+    1SOL     H5    5  -0.223856   0.152454   0.149991
+    1SOL     H6    6  -0.320910   0.146547   0.033953
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/260/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026785  -0.053162   0.074958
+    0SOL     H3    3  -0.081852   0.035364  -0.034813
+    1SOL     O4    4  -0.176242   0.119407  -0.150825
+    1SOL     H5    5  -0.223761   0.197894  -0.178100
+    1SOL     H6    6  -0.237916   0.047694  -0.165518
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074937  -0.031329   0.050648
+    0SOL     H3    3   0.028639  -0.005556  -0.091166
+    1SOL     O4    4   0.188909  -0.087023   0.167694
+    1SOL     H5    5   0.163319  -0.158525   0.225960
+    1SOL     H6    6   0.243914  -0.128657   0.101336
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.055461   0.038345  -0.067942
+    0SOL     H3    3  -0.058139  -0.059000   0.047970
+    1SOL     O4    4  -0.213464   0.116839  -0.104910
+    1SOL     H5    5  -0.238068   0.150172  -0.018620
+    1SOL     H6    6  -0.205539   0.195071  -0.159492
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.054508   0.019973  -0.076107
+    0SOL     H3    3  -0.039943   0.049238   0.071712
+    1SOL     O4    4   0.190211  -0.183866  -0.083788
+    1SOL     H5    5   0.096738  -0.175595  -0.064901
+    1SOL     H6    6   0.196458  -0.260356  -0.140995
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040935   0.060506   0.061852
+    0SOL     H3    3   0.027016   0.055273  -0.073330
+    1SOL     O4    4   0.263631  -0.118932   0.048917
+    1SOL     H5    5   0.219404  -0.059818   0.109842
+    1SOL     H6    6   0.198251  -0.137138  -0.018583
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/265/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041805   0.071459  -0.048045
+    0SOL     H3    3   0.070630  -0.038671   0.051752
+    1SOL     O4    4   0.142724  -0.135481  -0.237078
+    1SOL     H5    5   0.167779  -0.060794  -0.182706
+    1SOL     H6    6   0.156300  -0.105385  -0.326924
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/266/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095566  -0.001125   0.005303
+    0SOL     H3    3  -0.026074   0.075520   0.052718
+    1SOL     O4    4   0.246896  -0.007796   0.054657
+    1SOL     H5    5   0.303922  -0.038858  -0.015667
+    1SOL     H6    6   0.306962   0.018879   0.124248
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/267/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068450   0.064816  -0.016608
+    0SOL     H3    3  -0.039946  -0.061991   0.061022
+    1SOL     O4    4  -0.169228  -0.134279   0.163243
+    1SOL     H5    5  -0.140835  -0.113677   0.252303
+    1SOL     H6    6  -0.240312  -0.072583   0.145839
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/268/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004741   0.032218   0.090010
+    0SOL     H3    3  -0.052031  -0.080342   0.000496
+    1SOL     O4    4  -0.021756   0.344232  -0.000227
+    1SOL     H5    5  -0.003234   0.310113  -0.087720
+    1SOL     H6    6  -0.034958   0.438120  -0.013380
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/269/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048621   0.014252   0.081211
+    0SOL     H3    3  -0.091078  -0.009429   0.027897
+    1SOL     O4    4   0.145044  -0.224135  -0.193504
+    1SOL     H5    5   0.059009  -0.248895  -0.159633
+    1SOL     H6    6   0.201403  -0.221418  -0.116182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/270/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094486  -0.013309  -0.007583
+    0SOL     H3    3   0.010669   0.051170   0.080188
+    1SOL     O4    4   0.231718   0.211251  -0.023394
+    1SOL     H5    5   0.243841   0.265564  -0.101276
+    1SOL     H6    6   0.145727   0.236434   0.010277
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/271/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.035015   0.029466  -0.084071
+    0SOL     H3    3  -0.091256   0.028884  -0.000561
+    1SOL     O4    4   0.021992   0.316446   0.043299
+    1SOL     H5    5  -0.016035   0.392432  -0.000774
+    1SOL     H6    6   0.060436   0.264499  -0.027312
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/272/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.080028   0.038139   0.036101
+    0SOL     H3    3   0.014582  -0.078958   0.052109
+    1SOL     O4    4   0.245604   0.055629  -0.097124
+    1SOL     H5    5   0.167371   0.025694  -0.050802
+    1SOL     H6    6   0.214833   0.127666  -0.152134
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/273/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.083007  -0.046900   0.008519
+    0SOL     H3    3  -0.017689   0.000587  -0.094070
+    1SOL     O4    4  -0.193661  -0.131815   0.119304
+    1SOL     H5    5  -0.122394  -0.092782   0.068710
+    1SOL     H6    6  -0.171959  -0.224951   0.123424
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/274/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012082  -0.010119   0.094414
+    0SOL     H3    3   0.022480  -0.085633  -0.036386
+    1SOL     O4    4   0.182680  -0.197232  -0.160741
+    1SOL     H5    5   0.242934  -0.181079  -0.088140
+    1SOL     H6    6   0.205853  -0.131409  -0.226259
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/275/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023861   0.037425   0.084808
+    0SOL     H3    3   0.037793   0.060072  -0.064229
+    1SOL     O4    4   0.099738  -0.233282  -0.107967
+    1SOL     H5    5   0.061620  -0.146011  -0.098307
+    1SOL     H6    6   0.177253  -0.231961  -0.051825
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/276/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079670  -0.018780   0.049622
+    0SOL     H3    3  -0.061629   0.033273   0.065247
+    1SOL     O4    4  -0.183009   0.181128  -0.129742
+    1SOL     H5    5  -0.109182   0.123134  -0.148409
+    1SOL     H6    6  -0.227319   0.140377  -0.055322
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/277/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077541   0.012986  -0.054599
+    0SOL     H3    3  -0.027361   0.027560   0.087488
+    1SOL     O4    4  -0.249126  -0.098066  -0.290525
+    1SOL     H5    5  -0.254075  -0.011212  -0.330453
+    1SOL     H6    6  -0.168374  -0.135903  -0.325308
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/278/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071203  -0.023509   0.059496
+    0SOL     H3    3   0.042013   0.075362   0.041447
+    1SOL     O4    4   0.202779  -0.115281   0.159738
+    1SOL     H5    5   0.210022  -0.044674   0.223961
+    1SOL     H6    6   0.126509  -0.091882   0.106845
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/279/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.091173  -0.028155  -0.007554
+    0SOL     H3    3  -0.000325   0.090784  -0.030340
+    1SOL     O4    4   0.211930  -0.059725   0.148186
+    1SOL     H5    5   0.126748  -0.043130   0.107801
+    1SOL     H6    6   0.259719   0.022596   0.138096
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/280/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.044569   0.021017   0.082062
+    0SOL     H3    3   0.070146  -0.027462  -0.059056
+    1SOL     O4    4  -0.171996  -0.094358   0.195160
+    1SOL     H5    5  -0.151604  -0.183174   0.224455
+    1SOL     H6    6  -0.109516  -0.077404   0.124653
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/281/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.052536   0.064690  -0.047091
+    0SOL     H3    3   0.022190  -0.083510  -0.041182
+    1SOL     O4    4   0.011994   0.063741   0.307285
+    1SOL     H5    5  -0.017569   0.039624   0.219497
+    1SOL     H6    6   0.038554  -0.019078   0.347259
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/282/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.061319   0.035892   0.064141
+    0SOL     H3    3  -0.041416  -0.073642   0.044988
+    1SOL     O4    4   0.177803  -0.086587  -0.189495
+    1SOL     H5    5   0.122741  -0.067705  -0.113509
+    1SOL     H6    6   0.144863  -0.028459  -0.258041
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/283/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015893   0.091730  -0.022256
+    0SOL     H3    3  -0.087358  -0.038536   0.006770
+    1SOL     O4    4  -0.134041  -0.188518  -0.137015
+    1SOL     H5    5  -0.066503  -0.253324  -0.157046
+    1SOL     H6    6  -0.154314  -0.148118  -0.221390
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/284/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084354  -0.016123  -0.042270
+    0SOL     H3    3   0.053177  -0.076292  -0.022675
+    1SOL     O4    4  -0.015288   0.275044  -0.027437
+    1SOL     H5    5  -0.020812   0.180568  -0.013082
+    1SOL     H6    6  -0.004055   0.312009   0.060140
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/285/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052668   0.079857   0.003356
+    0SOL     H3    3   0.079224   0.021414   0.049268
+    1SOL     O4    4  -0.039624  -0.290497   0.200871
+    1SOL     H5    5   0.015636  -0.221030   0.236690
+    1SOL     H6    6  -0.062343  -0.344517   0.276555
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/286/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.082644   0.030009  -0.037838
+    0SOL     H3    3  -0.051049  -0.030524  -0.074997
+    1SOL     O4    4   0.008348  -0.173650   0.224718
+    1SOL     H5    5  -0.077965  -0.204594   0.197244
+    1SOL     H6    6   0.047254  -0.137307   0.145170
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/287/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063718  -0.011975  -0.070419
+    0SOL     H3    3  -0.015094   0.089259   0.031101
+    1SOL     O4    4   0.159243   0.216119   0.083029
+    1SOL     H5    5   0.095748   0.261824   0.138181
+    1SOL     H6    6   0.207910   0.160293   0.143669
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/288/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018369  -0.036939   0.086374
+    0SOL     H3    3   0.002595   0.094593   0.014410
+    1SOL     O4    4  -0.063397   0.273865   0.057776
+    1SOL     H5    5  -0.157716   0.274830   0.041488
+    1SOL     H6    6  -0.052352   0.325067   0.137892
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/289/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.000507  -0.052731   0.079884
+    0SOL     H3    3   0.060467   0.071734   0.018979
+    1SOL     O4    4  -0.094888  -0.188590   0.166713
+    1SOL     H5    5  -0.163413  -0.128909   0.196794
+    1SOL     H6    6  -0.077413  -0.244989   0.242053
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/290/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.000767   0.095513  -0.006242
+    0SOL     H3    3  -0.053634  -0.028456  -0.074000
+    1SOL     O4    4   0.150967  -0.157078   0.209943
+    1SOL     H5    5   0.163664  -0.110346   0.127377
+    1SOL     H6    6   0.215594  -0.118875   0.269326
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/291/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.064999  -0.062241   0.032613
+    0SOL     H3    3  -0.016841   0.080315   0.049276
+    1SOL     O4    4  -0.134265  -0.189699   0.125313
+    1SOL     H5    5  -0.190532  -0.234586   0.062214
+    1SOL     H6    6  -0.069840  -0.255607   0.151155
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048057   0.057044  -0.059990
+    0SOL     H3    3   0.051541  -0.080605   0.002933
+    1SOL     O4    4   0.143692  -0.215126   0.083923
+    1SOL     H5    5   0.140807  -0.298800   0.037525
+    1SOL     H6    6   0.220694  -0.170671   0.048474
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.033633  -0.004736  -0.089492
+    0SOL     H3    3  -0.003827   0.093035   0.022183
+    1SOL     O4    4  -0.041735   0.036733   0.291231
+    1SOL     H5    5  -0.019871   0.053882   0.382829
+    1SOL     H6    6   0.042892   0.024185   0.248300
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/294/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004418   0.094344   0.015554
+    0SOL     H3    3  -0.036772  -0.008118  -0.088001
+    1SOL     O4    4  -0.176183   0.257435   0.026718
+    1SOL     H5    5  -0.161053   0.194481   0.097217
+    1SOL     H6    6  -0.200138   0.203651  -0.048752
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/295/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.072436  -0.049398   0.038409
+    0SOL     H3    3   0.038953   0.083530  -0.025842
+    1SOL     O4    4   0.181314  -0.061604  -0.194803
+    1SOL     H5    5   0.113821  -0.065132  -0.127019
+    1SOL     H6    6   0.253953  -0.014550  -0.153916
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/296/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031618  -0.086587   0.025794
+    0SOL     H3    3   0.049405  -0.015493  -0.080507
+    1SOL     O4    4  -0.124751  -0.183159   0.123859
+    1SOL     H5    5  -0.189790  -0.115286   0.141901
+    1SOL     H6    6  -0.093302  -0.209830   0.210242
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/297/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020685  -0.005663  -0.093287
+    0SOL     H3    3   0.053685   0.078850   0.007934
+    1SOL     O4    4  -0.285601   0.192331  -0.085462
+    1SOL     H5    5  -0.297720   0.106368  -0.045141
+    1SOL     H6    6  -0.198110   0.188592  -0.124109
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031034   0.074718  -0.051152
+    0SOL     H3    3  -0.035854   0.014325   0.087587
+    1SOL     O4    4  -0.124374   0.171390  -0.192951
+    1SOL     H5    5  -0.212946   0.199335  -0.216113
+    1SOL     H6    6  -0.068118   0.242949  -0.222560
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011632  -0.079486   0.052049
+    0SOL     H3    3  -0.063387   0.061901   0.036231
+    1SOL     O4    4  -0.092868  -0.091785   0.243914
+    1SOL     H5    5  -0.147181  -0.128116   0.173967
+    1SOL     H6    6  -0.151448  -0.033137   0.291780
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018303  -0.073556  -0.058454
+    0SOL     H3    3  -0.022739   0.077597  -0.051225
+    1SOL     O4    4  -0.119946  -0.150237  -0.215658
+    1SOL     H5    5  -0.083622  -0.220785  -0.269190
+    1SOL     H6    6  -0.092766  -0.069944  -0.260118
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046897   0.076868  -0.032468
+    0SOL     H3    3  -0.074791  -0.009187  -0.059027
+    1SOL     O4    4   0.216344   0.197010  -0.064948
+    1SOL     H5    5   0.230450   0.291565  -0.060164
+    1SOL     H6    6   0.274474   0.160665   0.001852
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039025   0.028733  -0.082546
+    0SOL     H3    3  -0.055807   0.038452   0.067597
+    1SOL     O4    4  -0.166754   0.159346   0.146273
+    1SOL     H5    5  -0.257530   0.177168   0.121689
+    1SOL     H6    6  -0.140442   0.235585   0.197825
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.073640   0.060911  -0.005403
+    0SOL     H3    3   0.069104   0.041234  -0.051833
+    1SOL     O4    4  -0.306106  -0.013480   0.073716
+    1SOL     H5    5  -0.242361  -0.054225   0.132357
+    1SOL     H6    6  -0.337385   0.063154   0.121792
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+    6
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+    0SOL     H2    2   0.007289  -0.051903   0.080095
+    0SOL     H3    3  -0.093986   0.014727  -0.010584
+    1SOL     O4    4  -0.162725  -0.069469   0.227037
+    1SOL     H5    5  -0.127393  -0.138698   0.282905
+    1SOL     H6    6  -0.246655  -0.103829   0.196421
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015767   0.083840  -0.043411
+    0SOL     H3    3   0.079780   0.014013   0.051002
+    1SOL     O4    4  -0.252433   0.092324   0.116185
+    1SOL     H5    5  -0.275827   0.176086   0.076199
+    1SOL     H6    6  -0.157393   0.096498   0.126776
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+    6
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+    0SOL     H2    2  -0.086468  -0.004897  -0.040764
+    0SOL     H3    3   0.024409   0.092326  -0.006515
+    1SOL     O4    4   0.306229   0.073437  -0.113069
+    1SOL     H5    5   0.401815   0.073272  -0.108020
+    1SOL     H6    6   0.281255  -0.017771  -0.098249
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022958  -0.066519  -0.064889
+    0SOL     H3    3   0.071223  -0.039277   0.050467
+    1SOL     O4    4  -0.188981   0.189266  -0.175537
+    1SOL     H5    5  -0.238599   0.266162  -0.203597
+    1SOL     H6    6  -0.226022   0.166621  -0.090229
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018641  -0.057012   0.074595
+    0SOL     H3    3  -0.075724  -0.010350  -0.057629
+    1SOL     O4    4  -0.015756   0.270061   0.035383
+    1SOL     H5    5  -0.022681   0.174804   0.029019
+    1SOL     H6    6   0.044028   0.294548  -0.035247
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.036349   0.079008   0.039985
+    0SOL     H3    3   0.078850  -0.018600   0.050981
+    1SOL     O4    4   0.275342   0.085981   0.187318
+    1SOL     H5    5   0.369206   0.104495   0.184298
+    1SOL     H6    6   0.255034   0.080092   0.280674
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.019999   0.076707  -0.053651
+    0SOL     H3    3  -0.094819  -0.010605  -0.007691
+    1SOL     O4    4   0.183011  -0.172796  -0.203618
+    1SOL     H5    5   0.184501  -0.096088  -0.260854
+    1SOL     H6    6   0.099073  -0.214919  -0.222122
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088823  -0.018642  -0.030417
+    0SOL     H3    3  -0.000197   0.094154   0.017241
+    1SOL     O4    4   0.044890  -0.288238  -0.070184
+    1SOL     H5    5   0.071862  -0.319066   0.016329
+    1SOL     H6    6  -0.042943  -0.252667  -0.056678
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/312/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030490  -0.035950   0.083309
+    0SOL     H3    3   0.003147   0.094885   0.012219
+    1SOL     O4    4   0.280963  -0.089476   0.024863
+    1SOL     H5    5   0.356714  -0.122550   0.073135
+    1SOL     H6    6   0.294924  -0.119246  -0.065032
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014860   0.092069   0.021560
+    0SOL     H3    3  -0.073593   0.001258  -0.061195
+    1SOL     O4    4  -0.096977  -0.003498   0.281717
+    1SOL     H5    5  -0.068454  -0.023279   0.192513
+    1SOL     H6    6  -0.116379   0.090227   0.280481
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2   0.044744   0.051072  -0.067468
+    0SOL     H3    3  -0.037659  -0.074293  -0.047166
+    1SOL     O4    4   0.113855  -0.326292  -0.022807
+    1SOL     H5    5   0.152445  -0.406341   0.012762
+    1SOL     H6    6   0.019471  -0.338597  -0.012683
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003237  -0.046843  -0.083412
+    0SOL     H3    3   0.058996   0.073637  -0.016103
+    1SOL     O4    4   0.195664   0.092914  -0.114463
+    1SOL     H5    5   0.210251   0.021055  -0.175991
+    1SOL     H6    6   0.209234   0.172140  -0.166438
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050893  -0.074467  -0.032046
+    0SOL     H3    3  -0.083538  -0.037968   0.027242
+    1SOL     O4    4   0.218283  -0.168399  -0.089632
+    1SOL     H5    5   0.264518  -0.110988  -0.028570
+    1SOL     H6    6   0.217971  -0.120202  -0.172332
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.081968   0.040208  -0.028756
+    0SOL     H3    3   0.023852  -0.090067   0.021937
+    1SOL     O4    4   0.024926  -0.276907   0.035573
+    1SOL     H5    5   0.046391  -0.322731  -0.045678
+    1SOL     H6    6   0.040845  -0.341444   0.104449
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2  -0.092132  -0.007876   0.024737
+    0SOL     H3    3   0.042324   0.038141   0.076917
+    1SOL     O4    4   0.007305  -0.139703   0.281105
+    1SOL     H5    5   0.059609  -0.177078   0.210184
+    1SOL     H6    6   0.070437  -0.122419   0.350947
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+    6
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+    0SOL     H2    2  -0.014417  -0.020321   0.092420
+    0SOL     H3    3  -0.054139  -0.063265  -0.047211
+    1SOL     O4    4  -0.066827   0.010508   0.293609
+    1SOL     H5    5  -0.028441  -0.034626   0.368787
+    1SOL     H6    6  -0.161012  -0.004164   0.302335
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011919   0.075923   0.057061
+    0SOL     H3    3  -0.065465   0.028076  -0.063941
+    1SOL     O4    4  -0.024530  -0.044692   0.331441
+    1SOL     H5    5   0.065330  -0.076654   0.323322
+    1SOL     H6    6  -0.031233  -0.014693   0.422091
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004409  -0.008632  -0.095228
+    0SOL     H3    3  -0.032704  -0.083603   0.033215
+    1SOL     O4    4   0.261332  -0.013045  -0.002751
+    1SOL     H5    5   0.167574  -0.016653   0.016190
+    1SOL     H6    6   0.302505   0.001174   0.082484
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010576  -0.069040  -0.065451
+    0SOL     H3    3   0.059950   0.062597  -0.040619
+    1SOL     O4    4   0.188168  -0.107491   0.194866
+    1SOL     H5    5   0.100868  -0.088011   0.228947
+    1SOL     H6    6   0.231825  -0.022410   0.190661
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/323/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022372  -0.058831  -0.072116
+    0SOL     H3    3   0.062839   0.061509  -0.037818
+    1SOL     O4    4  -0.002573  -0.282716   0.122032
+    1SOL     H5    5   0.051512  -0.304224   0.198022
+    1SOL     H6    6  -0.082299  -0.334334   0.133937
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/324/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004590   0.000657  -0.095608
+    0SOL     H3    3  -0.073765   0.054225   0.027941
+    1SOL     O4    4   0.163899  -0.185992  -0.151602
+    1SOL     H5    5   0.082403  -0.182409  -0.201681
+    1SOL     H6    6   0.223174  -0.237947  -0.205910
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078619  -0.050792   0.020040
+    0SOL     H3    3   0.051677  -0.002994   0.080516
+    1SOL     O4    4   0.176210   0.217326   0.070529
+    1SOL     H5    5   0.151187   0.214998  -0.021833
+    1SOL     H6    6   0.225685   0.298725   0.079945
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.021495   0.089306  -0.026922
+    0SOL     H3    3  -0.049235  -0.036097  -0.073724
+    1SOL     O4    4  -0.074277   0.230266  -0.245409
+    1SOL     H5    5  -0.087752   0.300453  -0.309084
+    1SOL     H6    6   0.002840   0.183394  -0.277317
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.067694   0.059053   0.033054
+    0SOL     H3    3  -0.008924   0.023086  -0.092465
+    1SOL     O4    4   0.042371   0.280337  -0.097249
+    1SOL     H5    5   0.000844   0.350234  -0.147767
+    1SOL     H6    6  -0.001826   0.282559  -0.012372
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2  -0.070863  -0.005328  -0.064127
+    0SOL     H3    3   0.075871  -0.037253  -0.044923
+    1SOL     O4    4  -0.235038   0.213636   0.087380
+    1SOL     H5    5  -0.202004   0.159515   0.159088
+    1SOL     H6    6  -0.179132   0.291328   0.088228
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2  -0.016102  -0.050297  -0.079833
+    0SOL     H3    3   0.076020  -0.042200   0.040030
+    1SOL     O4    4   0.043044  -0.212431  -0.218507
+    1SOL     H5    5   0.096922  -0.135456  -0.236792
+    1SOL     H6    6   0.086665  -0.255316  -0.144884
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+    6
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+    0SOL     H2    2  -0.062236  -0.017820   0.070508
+    0SOL     H3    3   0.032666  -0.086270  -0.025550
+    1SOL     O4    4  -0.230685   0.000424   0.142220
+    1SOL     H5    5  -0.319238  -0.025099   0.116350
+    1SOL     H6    6  -0.225465  -0.021885   0.235157
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+    6
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+    0SOL     H2    2  -0.066818  -0.052809   0.043690
+    0SOL     H3    3  -0.015016   0.088960   0.031984
+    1SOL     O4    4  -0.123167  -0.164583   0.168980
+    1SOL     H5    5  -0.072400  -0.238225   0.134893
+    1SOL     H6    6  -0.069737  -0.129548   0.240256
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042077   0.052452   0.068122
+    0SOL     H3    3   0.070260  -0.019702  -0.061949
+    1SOL     O4    4   0.132593  -0.139963  -0.185052
+    1SOL     H5    5   0.224196  -0.112916  -0.191341
+    1SOL     H6    6   0.097628  -0.126977  -0.273206
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042713   0.080198  -0.030102
+    0SOL     H3    3   0.028477  -0.043619  -0.080304
+    1SOL     O4    4  -0.123900  -0.193849  -0.175189
+    1SOL     H5    5  -0.148930  -0.101462  -0.175850
+    1SOL     H6    6  -0.083574  -0.207175  -0.089407
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+    6
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+    0SOL     H3    3  -0.056936   0.074815  -0.017984
+    1SOL     O4    4  -0.044726  -0.341661   0.127860
+    1SOL     H5    5  -0.121265  -0.368034   0.076786
+    1SOL     H6    6  -0.037077  -0.408542   0.195910
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+    6
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+    0SOL     H2    2   0.066768   0.033184   0.060027
+    0SOL     H3    3   0.038384  -0.079489  -0.037021
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+    1SOL     H5    5   0.251694  -0.014180  -0.085998
+    1SOL     H6    6   0.130173   0.069713  -0.119367
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+    6
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+    0SOL     H2    2   0.034795  -0.081812   0.035475
+    0SOL     H3    3   0.036751   0.068125   0.056308
+    1SOL     O4    4  -0.295497  -0.197746  -0.096808
+    1SOL     H5    5  -0.349952  -0.266210  -0.135661
+    1SOL     H6    6  -0.290454  -0.220842  -0.004053
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+    6
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+    0SOL     H2    2  -0.050803  -0.029362  -0.075626
+    0SOL     H3    3   0.089260  -0.029409  -0.018168
+    1SOL     O4    4   0.068409   0.214546   0.142739
+    1SOL     H5    5   0.027946   0.265305   0.072393
+    1SOL     H6    6   0.051935   0.123287   0.119021
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+    6
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+    0SOL     H2    2  -0.016641   0.033745   0.088015
+    0SOL     H3    3   0.075041   0.050523  -0.031282
+    1SOL     O4    4   0.027470  -0.262166   0.023078
+    1SOL     H5    5  -0.027549  -0.288528  -0.050681
+    1SOL     H6    6   0.032708  -0.166834   0.016243
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+    6
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+    0SOL     H2    2   0.038354   0.081622  -0.032080
+    0SOL     H3    3   0.072253  -0.062761  -0.001692
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+    1SOL     H5    5  -0.245076  -0.134919   0.038227
+    1SOL     H6    6  -0.147690  -0.050919  -0.041641
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+    6
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+    0SOL     H2    2   0.017719  -0.034090  -0.087671
+    0SOL     H3    3  -0.072472  -0.053507   0.032361
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+    1SOL     H5    5   0.239491  -0.271869   0.037020
+    1SOL     H6    6   0.158117  -0.144222   0.035161
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+    6
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+    0SOL     H2    2  -0.077418   0.044698   0.034219
+    0SOL     H3    3  -0.012853  -0.091833   0.023746
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+    1SOL     H5    5   0.154208   0.210691   0.199956
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+    6
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+    0SOL     H2    2   0.041189  -0.071014   0.049222
+    0SOL     H3    3   0.072877   0.044985  -0.042751
+    1SOL     O4    4   0.146872   0.137585  -0.170054
+    1SOL     H5    5   0.121450   0.176395  -0.253779
+    1SOL     H6    6   0.213920   0.196589  -0.135625
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+    6
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+    0SOL     H2    2   0.043691  -0.029142  -0.080026
+    0SOL     H3    3  -0.034278  -0.080300   0.039233
+    1SOL     O4    4   0.133100   0.052800  -0.225284
+    1SOL     H5    5   0.164628   0.116176  -0.160849
+    1SOL     H6    6   0.054049   0.092764  -0.261563
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+    6
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+    0SOL     H2    2  -0.017150  -0.089201  -0.030189
+    0SOL     H3    3  -0.002277   0.053127  -0.079590
+    1SOL     O4    4  -0.245059   0.265120   0.137945
+    1SOL     H5    5  -0.250012   0.250713   0.043445
+    1SOL     H6    6  -0.180966   0.335476   0.148168
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+    6
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+    0SOL     H2    2  -0.053172   0.066020   0.044457
+    0SOL     H3    3  -0.020578   0.011133  -0.092817
+    1SOL     O4    4   0.262074   0.049009   0.061742
+    1SOL     H5    5   0.306604   0.020893   0.141673
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+    6
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+    0SOL     H2    2   0.004704  -0.069875   0.065251
+    0SOL     H3    3  -0.093727   0.014690  -0.012717
+    1SOL     O4    4  -0.232524   0.133880  -0.035111
+    1SOL     H5    5  -0.185455   0.155363  -0.115642
+    1SOL     H6    6  -0.300937   0.200529  -0.028793
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+    6
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+    0SOL     H2    2  -0.005927  -0.075545  -0.058482
+    0SOL     H3    3  -0.085981   0.004801   0.041792
+    1SOL     O4    4  -0.229260   0.033103   0.112213
+    1SOL     H5    5  -0.293600  -0.018678   0.063825
+    1SOL     H6    6  -0.247742   0.014420   0.204255
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+    6
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+    0SOL     H2    2   0.051366  -0.061429  -0.052443
+    0SOL     H3    3  -0.043610  -0.054785   0.065262
+    1SOL     O4    4   0.075566   0.179696   0.176834
+    1SOL     H5    5   0.106435   0.265648   0.148169
+    1SOL     H6    6   0.081465   0.124779   0.098657
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013930   0.093772   0.013234
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+    1SOL     O4    4  -0.093014   0.070777   0.249329
+    1SOL     H5    5  -0.003738   0.067146   0.283665
+    1SOL     H6    6  -0.138175   0.132931   0.306422
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+    6
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+    0SOL     H2    2  -0.048357   0.007617   0.082255
+    0SOL     H3    3   0.088252   0.030452   0.021135
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+    1SOL     H5    5  -0.162663  -0.028675   0.246973
+    1SOL     H6    6  -0.255812   0.009501   0.133903
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+    6
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+    0SOL     H2    2   0.032112   0.076665   0.047473
+    0SOL     H3    3   0.030693  -0.074667   0.051431
+    1SOL     O4    4   0.254465   0.035233  -0.102471
+    1SOL     H5    5   0.276185   0.123850  -0.131411
+    1SOL     H6    6   0.172492   0.045211  -0.054064
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2   0.088897   0.029041  -0.020404
+    0SOL     H3    3   0.007789  -0.043169   0.085077
+    1SOL     O4    4   0.065192  -0.156885  -0.214129
+    1SOL     H5    5  -0.001367  -0.122679  -0.154445
+    1SOL     H6    6   0.021455  -0.160739  -0.299185
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2  -0.077016  -0.054033  -0.017645
+    0SOL     H3    3   0.074157  -0.054788  -0.025715
+    1SOL     O4    4   0.249812   0.144657  -0.111642
+    1SOL     H5    5   0.315517   0.154989  -0.042805
+    1SOL     H6    6   0.249722   0.050885  -0.130852
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+    6
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+    0SOL     H2    2   0.000538   0.012797  -0.094859
+    0SOL     H3    3  -0.015038  -0.093833   0.011473
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+    1SOL     H5    5   0.048098   0.056533  -0.288890
+    1SOL     H6    6   0.047911  -0.042778  -0.403154
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+    6
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+    0SOL     H2    2   0.065479   0.034488  -0.060707
+    0SOL     H3    3  -0.081544   0.043075  -0.025642
+    1SOL     O4    4   0.230968  -0.140080   0.156933
+    1SOL     H5    5   0.247381  -0.160118   0.064784
+    1SOL     H6    6   0.169396  -0.066818   0.154964
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+    6
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+    0SOL     H2    2  -0.043173  -0.036840   0.077079
+    0SOL     H3    3   0.093084  -0.000055   0.022308
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+    1SOL     H6    6   0.058329  -0.003670  -0.324471
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+    6
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+    0SOL     H2    2   0.048724   0.067900   0.046667
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+    1SOL     O4    4  -0.012645   0.052549   0.311526
+    1SOL     H5    5  -0.048982  -0.014017   0.253123
+    1SOL     H6    6   0.014612   0.003914   0.389333
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+    6
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+    0SOL     H2    2   0.095258  -0.009129   0.002230
+    0SOL     H3    3  -0.032412  -0.074054   0.051262
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+    1SOL     H5    5   0.251784   0.160849  -0.066760
+    1SOL     H6    6   0.324036   0.033456  -0.105093
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2   0.016169   0.093938   0.008746
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+    1SOL     O4    4  -0.285088   0.037032   0.000934
+    1SOL     H5    5  -0.328273   0.024028  -0.083495
+    1SOL     H6    6  -0.280281  -0.050585   0.039178
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+    6
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+    0SOL     H2    2   0.093695   0.005574  -0.018775
+    0SOL     H3    3  -0.039922   0.065290  -0.057495
+    1SOL     O4    4   0.260948   0.010568   0.016257
+    1SOL     H5    5   0.288470   0.090725   0.060750
+    1SOL     H6    6   0.286788   0.023677  -0.074972
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2   0.036005   0.037799   0.080232
+    0SOL     H3    3   0.076038  -0.012833  -0.056708
+    1SOL     O4    4   0.288445   0.120876  -0.123052
+    1SOL     H5    5   0.371782   0.075654  -0.136172
+    1SOL     H6    6   0.291540   0.151034  -0.032259
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H2    2   0.042490   0.037420   0.077180
+    0SOL     H3    3  -0.086979  -0.025715   0.030588
+    1SOL     O4    4   0.104494   0.157189   0.207101
+    1SOL     H5    5   0.067202   0.130340   0.291071
+    1SOL     H6    6   0.084958   0.250692   0.200965
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+    6
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+    0SOL     H2    2  -0.013482  -0.045040  -0.083378
+    0SOL     H3    3   0.063193  -0.054569   0.046810
+    1SOL     O4    4   0.042354   0.263393   0.061166
+    1SOL     H5    5  -0.047394   0.296030   0.067673
+    1SOL     H6    6   0.032941   0.168327   0.055143
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+    6
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+    0SOL     H2    2   0.071960   0.002427  -0.063072
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+    1SOL     O4    4  -0.146555  -0.208990  -0.162681
+    1SOL     H5    5  -0.088687  -0.281801  -0.140050
+    1SOL     H6    6  -0.110292  -0.173903  -0.244022
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+    6
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+    0SOL     H2    2   0.046132   0.001702   0.083853
+    0SOL     H3    3   0.067537   0.019567  -0.064948
+    1SOL     O4    4   0.041215  -0.103078  -0.287800
+    1SOL     H5    5  -0.032882  -0.163219  -0.280381
+    1SOL     H6    6   0.072951  -0.115025  -0.377312
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+    6
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+    0SOL     H2    2   0.032980  -0.004878  -0.089726
+    0SOL     H3    3   0.026942  -0.082683   0.040000
+    1SOL     O4    4   0.205606  -0.207107   0.029260
+    1SOL     H5    5   0.248715  -0.234658   0.110161
+    1SOL     H6    6   0.150962  -0.281720   0.004574
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+    6
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+    0SOL     H2    2  -0.076460  -0.004900   0.057378
+    0SOL     H3    3  -0.018356  -0.062809  -0.069860
+    1SOL     O4    4  -0.038499   0.228927  -0.205701
+    1SOL     H5    5   0.037413   0.177809  -0.233747
+    1SOL     H6    6  -0.042628   0.215764  -0.110980
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+    6
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+    0SOL     H2    2  -0.074615  -0.019985  -0.056529
+    0SOL     H3    3   0.024879  -0.084418   0.037643
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+    1SOL     H5    5  -0.103112  -0.055271  -0.386678
+    1SOL     H6    6  -0.086131   0.030796  -0.263296
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038613  -0.014633   0.086356
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+    1SOL     O4    4  -0.056769   0.215992  -0.195300
+    1SOL     H5    5  -0.090439   0.127359  -0.182149
+    1SOL     H6    6  -0.130119   0.264087  -0.233627
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+    6
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+    1SOL     O4    4  -0.251538   0.095446   0.000440
+    1SOL     H5    5  -0.256266   0.154559  -0.074698
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049709  -0.038433  -0.072209
+    0SOL     H3    3   0.066673   0.035193   0.058979
+    1SOL     O4    4  -0.171390  -0.258123  -0.076321
+    1SOL     H5    5  -0.170997  -0.169475  -0.112428
+    1SOL     H6    6  -0.085333  -0.267811  -0.035547
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.079688   0.049228   0.019716
+    0SOL     H3    3   0.028164  -0.091462  -0.001976
+    1SOL     O4    4   0.235157   0.089932   0.088547
+    1SOL     H5    5   0.290175   0.096113   0.010463
+    1SOL     H6    6   0.192694   0.175488   0.094820
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092416   0.011691   0.022020
+    0SOL     H3    3  -0.044294  -0.005799   0.084656
+    1SOL     O4    4  -0.166714  -0.075917  -0.218960
+    1SOL     H5    5  -0.136458  -0.000624  -0.168189
+    1SOL     H6    6  -0.218674  -0.037815  -0.289747
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085551  -0.042923   0.001004
+    0SOL     H3    3  -0.054363  -0.053480   0.057853
+    1SOL     O4    4   0.270402  -0.019304  -0.002313
+    1SOL     H5    5   0.246969  -0.030655   0.089798
+    1SOL     H6    6   0.321978  -0.097049  -0.023712
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/375/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.087195   0.038064   0.010511
+    0SOL     H3    3   0.029802  -0.016769   0.089403
+    1SOL     O4    4   0.121497   0.185209  -0.166241
+    1SOL     H5    5   0.044247   0.167905  -0.112432
+    1SOL     H6    6   0.116643   0.278783  -0.185807
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/376/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.065335  -0.069834  -0.004110
+    0SOL     H3    3  -0.084098  -0.045581  -0.003486
+    1SOL     O4    4   0.073721   0.251652   0.083234
+    1SOL     H5    5   0.054390   0.172459   0.033063
+    1SOL     H6    6   0.135232   0.300373   0.028416
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/377/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058724   0.024046   0.071663
+    0SOL     H3    3   0.038617   0.040929  -0.077433
+    1SOL     O4    4  -0.184598  -0.111015  -0.241466
+    1SOL     H5    5  -0.238717  -0.165535  -0.298570
+    1SOL     H6    6  -0.163227  -0.167711  -0.167363
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.037762  -0.013229  -0.086956
+    0SOL     H3    3  -0.055918   0.077094  -0.009594
+    1SOL     O4    4  -0.258691  -0.131913   0.055466
+    1SOL     H5    5  -0.210382  -0.082735   0.121875
+    1SOL     H6    6  -0.263405  -0.220964   0.090251
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080281   0.052079   0.002258
+    0SOL     H3    3   0.005081  -0.048367  -0.082445
+    1SOL     O4    4  -0.030917  -0.106354   0.282257
+    1SOL     H5    5  -0.083953  -0.089795   0.204313
+    1SOL     H6    6  -0.085303  -0.076386   0.355102
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/380/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038656   0.087552   0.001624
+    0SOL     H3    3   0.041942  -0.043377  -0.074307
+    1SOL     O4    4   0.239855  -0.113677  -0.109996
+    1SOL     H5    5   0.267206  -0.066108  -0.188427
+    1SOL     H6    6   0.293927  -0.192661  -0.109755
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094682   0.003517   0.013614
+    0SOL     H3    3  -0.012994  -0.074056  -0.059239
+    1SOL     O4    4  -0.258910   0.069772   0.081927
+    1SOL     H5    5  -0.232515   0.017225   0.006399
+    1SOL     H6    6  -0.176639   0.092661   0.125169
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.082131  -0.027893  -0.040483
+    0SOL     H3    3  -0.024681   0.026378   0.088642
+    1SOL     O4    4  -0.066946   0.115569   0.224355
+    1SOL     H5    5  -0.160530   0.107306   0.242684
+    1SOL     H6    6  -0.024313   0.095605   0.307698
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/383/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013653  -0.017404   0.093129
+    0SOL     H3    3  -0.032938  -0.082658  -0.035285
+    1SOL     O4    4  -0.303435   0.027568  -0.060770
+    1SOL     H5    5  -0.255877  -0.039009  -0.011091
+    1SOL     H6    6  -0.395616   0.003957  -0.050408
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/384/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031457   0.088331  -0.019247
+    0SOL     H3    3  -0.069481  -0.039229   0.052875
+    1SOL     O4    4  -0.175668  -0.102832   0.188539
+    1SOL     H5    5  -0.192871  -0.188610   0.227378
+    1SOL     H6    6  -0.260420  -0.058368   0.190058
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/385/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073663   0.060942  -0.004707
+    0SOL     H3    3  -0.006879  -0.022208   0.092854
+    1SOL     O4    4  -0.149434   0.256476  -0.150832
+    1SOL     H5    5  -0.076361   0.266186  -0.089773
+    1SOL     H6    6  -0.227367   0.256923  -0.095258
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/386/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034278  -0.086128  -0.023861
+    0SOL     H3    3   0.071803   0.015124  -0.061465
+    1SOL     O4    4   0.050466   0.090118   0.232138
+    1SOL     H5    5   0.032454   0.060459   0.142929
+    1SOL     H6    6  -0.033286   0.081479   0.277671
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/387/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.023437   0.077720  -0.050721
+    0SOL     H3    3   0.047139  -0.071583  -0.042616
+    1SOL     O4    4   0.111635  -0.218467  -0.114212
+    1SOL     H5    5   0.187561  -0.193971  -0.167104
+    1SOL     H6    6   0.037887  -0.215230  -0.175146
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/388/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066099  -0.063321   0.027995
+    0SOL     H3    3   0.030939   0.083790   0.034414
+    1SOL     O4    4  -0.051624   0.125746   0.303915
+    1SOL     H5    5  -0.142741   0.141044   0.328934
+    1SOL     H6    6  -0.045128   0.160041   0.214786
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/389/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072486  -0.046602  -0.041670
+    0SOL     H3    3   0.021430   0.070546  -0.061044
+    1SOL     O4    4  -0.181344  -0.154845  -0.050652
+    1SOL     H5    5  -0.251686  -0.163417  -0.115002
+    1SOL     H6    6  -0.192234  -0.230458   0.007022
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/390/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.066422   0.051284  -0.046048
+    0SOL     H3    3  -0.039604  -0.054532  -0.067972
+    1SOL     O4    4  -0.142192  -0.149645  -0.189076
+    1SOL     H5    5  -0.234730  -0.134301  -0.208146
+    1SOL     H6    6  -0.118313  -0.224052  -0.244353
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/391/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.016268   0.064486  -0.068842
+    0SOL     H3    3  -0.088271   0.019943   0.031190
+    1SOL     O4    4   0.095421   0.269272   0.021757
+    1SOL     H5    5   0.167559   0.215858   0.055006
+    1SOL     H6    6   0.136493   0.328599  -0.041136
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/392/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086583   0.018196  -0.036533
+    0SOL     H3    3   0.004049   0.033974   0.089396
+    1SOL     O4    4   0.244814   0.090559  -0.112985
+    1SOL     H5    5   0.333913   0.057990  -0.125752
+    1SOL     H6    6   0.243745   0.175476  -0.157147
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/393/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.045033   0.070905  -0.045899
+    0SOL     H3    3   0.022164   0.013196   0.092179
+    1SOL     O4    4  -0.238968   0.114385  -0.093153
+    1SOL     H5    5  -0.156147   0.071541  -0.071533
+    1SOL     H6    6  -0.234753   0.128414  -0.187746
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/394/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024129   0.003465   0.092564
+    0SOL     H3    3  -0.083352   0.005423  -0.046747
+    1SOL     O4    4   0.247101  -0.077188  -0.090264
+    1SOL     H5    5   0.293949  -0.134806  -0.029867
+    1SOL     H6    6   0.154633  -0.090951  -0.069704
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/395/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.073447   0.051857  -0.032844
+    0SOL     H3    3  -0.070334   0.015366  -0.063082
+    1SOL     O4    4   0.272554  -0.147391   0.101040
+    1SOL     H5    5   0.360869  -0.176857   0.078802
+    1SOL     H6    6   0.249660  -0.085631   0.031586
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/396/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072426  -0.054135   0.031405
+    0SOL     H3    3   0.077937  -0.053830   0.013800
+    1SOL     O4    4  -0.266216   0.045328  -0.180313
+    1SOL     H5    5  -0.359485   0.024142  -0.176524
+    1SOL     H6    6  -0.258707   0.128929  -0.134304
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/397/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.048860   0.025067   0.078401
+    0SOL     H3    3  -0.057603  -0.061378  -0.045574
+    1SOL     O4    4  -0.184202  -0.193947  -0.066322
+    1SOL     H5    5  -0.213988  -0.235884   0.014403
+    1SOL     H6    6  -0.263636  -0.157004  -0.104895
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/398/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076847   0.054162  -0.017981
+    0SOL     H3    3   0.074513   0.056994  -0.019024
+    1SOL     O4    4  -0.229451   0.118891  -0.099497
+    1SOL     H5    5  -0.298621   0.057521  -0.124225
+    1SOL     H6    6  -0.272569   0.181473  -0.041303
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/399/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080523  -0.051634   0.003508
+    0SOL     H3    3   0.027565   0.088975   0.022042
+    1SOL     O4    4  -0.176831  -0.179682  -0.122317
+    1SOL     H5    5  -0.239688  -0.164641  -0.051712
+    1SOL     H6    6  -0.099288  -0.129892  -0.096425
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/400/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012885  -0.047098   0.082329
+    0SOL     H3    3  -0.037061  -0.057748  -0.066739
+    1SOL     O4    4  -0.134800  -0.169619  -0.229606
+    1SOL     H5    5  -0.120073  -0.263522  -0.240905
+    1SOL     H6    6  -0.166184  -0.160908  -0.139598
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/401/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027475   0.044230  -0.080319
+    0SOL     H3    3  -0.058754  -0.069464  -0.029750
+    1SOL     O4    4   0.243769   0.166253  -0.087468
+    1SOL     H5    5   0.330413   0.199052  -0.111538
+    1SOL     H6    6   0.185257   0.240766  -0.101124
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/402/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.037279   0.034191  -0.081263
+    0SOL     H3    3  -0.049852   0.043245   0.069333
+    1SOL     O4    4   0.253148   0.089148   0.013015
+    1SOL     H5    5   0.159121   0.071636   0.009188
+    1SOL     H6    6   0.270149   0.108917   0.105115
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077414   0.031970   0.046339
+    0SOL     H3    3   0.021705  -0.090187  -0.023613
+    1SOL     O4    4  -0.211286   0.147067   0.125461
+    1SOL     H5    5  -0.205559   0.115173   0.215529
+    1SOL     H6    6  -0.174070   0.076480   0.072594
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044133   0.077681  -0.034355
+    0SOL     H3    3   0.089293   0.029241   0.018274
+    1SOL     O4    4  -0.037297  -0.233590   0.135113
+    1SOL     H5    5  -0.116091  -0.283209   0.112938
+    1SOL     H6    6  -0.050967  -0.147709   0.095115
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/405/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.068002  -0.045577  -0.049607
+    0SOL     H3    3  -0.020553   0.092858  -0.010833
+    1SOL     O4    4  -0.181217  -0.110043  -0.177310
+    1SOL     H5    5  -0.229702  -0.027517  -0.178342
+    1SOL     H6    6  -0.130245  -0.108945  -0.258322
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.095146   0.010223   0.002232
+    0SOL     H3    3  -0.033310   0.088524  -0.014705
+    1SOL     O4    4   0.077587   0.116820  -0.250298
+    1SOL     H5    5   0.021493   0.045354  -0.280438
+    1SOL     H6    6   0.073890   0.111585  -0.154792
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/407/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.086283   0.023857   0.033888
+    0SOL     H3    3   0.009258   0.005347  -0.095121
+    1SOL     O4    4  -0.155846   0.175884   0.132119
+    1SOL     H5    5  -0.110536   0.202537   0.212111
+    1SOL     H6    6  -0.109723   0.097024   0.103552
+  3.000000   3.000000   3.000000
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+    6
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+    0SOL     H3    3   0.076774   0.010502   0.056195
+    1SOL     O4    4  -0.292115  -0.051867  -0.017723
+    1SOL     H5    5  -0.311281  -0.018399  -0.105330
+    1SOL     H6    6  -0.257907  -0.140009  -0.032658
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+    6
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+    0SOL     H2    2   0.037222   0.016704   0.086590
+    0SOL     H3    3  -0.077613   0.055883  -0.003946
+    1SOL     O4    4   0.031157  -0.135221  -0.210997
+    1SOL     H5    5  -0.045111  -0.135475  -0.268837
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+    6
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+    0SOL     H2    2   0.026943  -0.022774   0.088982
+    0SOL     H3    3   0.054549  -0.054853  -0.056372
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+    1SOL     H5    5  -0.204449   0.058539  -0.370144
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+    6
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+    0SOL     H2    2   0.082839  -0.047784   0.004093
+    0SOL     H3    3  -0.026834  -0.006298  -0.091666
+    1SOL     O4    4   0.074244   0.263730  -0.021645
+    1SOL     H5    5   0.128762   0.281245  -0.098348
+    1SOL     H6    6   0.065959   0.168397  -0.019355
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+    6
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+    0SOL     H2    2  -0.069359  -0.065948  -0.001587
+    0SOL     H3    3   0.002596   0.034253  -0.089344
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+    1SOL     H5    5   0.123966  -0.042533   0.121556
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+    6
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+    0SOL     H2    2   0.052963  -0.079653  -0.003551
+    0SOL     H3    3  -0.045540   0.002310  -0.084161
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+    1SOL     H5    5  -0.067066  -0.053815   0.144728
+    1SOL     H6    6  -0.207830  -0.097821   0.178901
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+    6
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+    0SOL     H2    2   0.091616  -0.001554   0.027683
+    0SOL     H3    3   0.003791   0.012500  -0.094825
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+    1SOL     H5    5  -0.004350   0.299345  -0.106237
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+    6
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+    0SOL     H2    2  -0.034993  -0.078025  -0.043012
+    0SOL     H3    3   0.046867   0.046594  -0.069245
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+    1SOL     H5    5   0.308927  -0.148983  -0.000782
+    1SOL     H6    6   0.165956  -0.101483   0.014117
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+    6
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+    0SOL     H3    3  -0.078063   0.043191   0.034684
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+    1SOL     H5    5   0.084799  -0.015975  -0.321936
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+    6
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+    0SOL     H2    2   0.049714  -0.018794  -0.079609
+    0SOL     H3    3  -0.091171  -0.016174  -0.024260
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+    1SOL     H5    5  -0.289187  -0.173789   0.064652
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+    6
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+    0SOL     H2    2  -0.076529  -0.038011  -0.043137
+    0SOL     H3    3   0.074766  -0.035675  -0.047954
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+    1SOL     H5    5   0.200908   0.101723   0.033878
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+    6
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+    0SOL     H2    2  -0.030337   0.090598  -0.005834
+    0SOL     H3    3   0.083835   0.005669   0.045847
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+    1SOL     H5    5   0.209888  -0.316316  -0.224785
+    1SOL     H6    6   0.116270  -0.264595  -0.117642
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+    6
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+    0SOL     H2    2   0.026045   0.031224   0.086655
+    0SOL     H3    3   0.062196  -0.069958  -0.019995
+    1SOL     O4    4   0.134857   0.180879  -0.152885
+    1SOL     H5    5   0.075553   0.170584  -0.078459
+    1SOL     H6    6   0.097388   0.125379  -0.221282
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+    6
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+    0SOL     H2    2  -0.076559   0.057454  -0.000368
+    0SOL     H3    3   0.010726  -0.026275  -0.091416
+    1SOL     O4    4  -0.038892  -0.216666   0.180889
+    1SOL     H5    5  -0.090148  -0.142856   0.213862
+    1SOL     H6    6   0.016069  -0.178937   0.112201
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+    6
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+    0SOL     H2    2  -0.036487  -0.046332   0.075395
+    0SOL     H3    3  -0.027295   0.090931   0.012202
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+    1SOL     H5    5   0.120766  -0.012570   0.236414
+    1SOL     H6    6   0.171925   0.049297   0.108062
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+    6
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+    0SOL     H2    2  -0.071093  -0.020365   0.060774
+    0SOL     H3    3  -0.028669   0.079673  -0.044638
+    1SOL     O4    4   0.044585  -0.347580   0.053712
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+    1SOL     H6    6  -0.037483  -0.379710   0.091061
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+    6
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+    0SOL     H2    2   0.016319   0.086971  -0.036498
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+    1SOL     H5    5   0.125507  -0.159482  -0.181239
+    1SOL     H6    6   0.153227  -0.265726  -0.077015
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+    6
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+    0SOL     H2    2  -0.000496   0.095717   0.000625
+    0SOL     H3    3   0.065252  -0.023230  -0.066067
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+    1SOL     H5    5   0.191545  -0.273690  -0.109205
+    1SOL     H6    6   0.064665  -0.234941  -0.182136
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.077899   0.027460  -0.048373
+    0SOL     H3    3   0.026724   0.002394   0.091883
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+    1SOL     H5    5   0.295308   0.035847  -0.277293
+    1SOL     H6    6   0.149177   0.015357  -0.243457
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+    6
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+    0SOL     H2    2  -0.007495   0.095426  -0.000165
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+    1SOL     H5    5   0.028698   0.008139   0.366345
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+    6
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+    6
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+    0SOL     H2    2  -0.044942   0.058897  -0.060610
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+    6
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+    0SOL     H2    2   0.034889  -0.064372  -0.061655
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+    6
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+    0SOL     H2    2  -0.044365  -0.004631  -0.084692
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+    6
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+    0SOL     H2    2   0.039607   0.059095   0.064042
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+    1SOL     H5    5  -0.000153   0.144743  -0.310068
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+    6
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+    0SOL     H2    2   0.046698   0.082710   0.011861
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+    1SOL     O4    4  -0.228944   0.129323   0.007458
+    1SOL     H5    5  -0.300777   0.066081   0.005777
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+    6
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+    0SOL     H2    2   0.050323   0.001248   0.081415
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+    1SOL     H6    6   0.216251  -0.036492   0.280703
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+    6
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+    1SOL     O4    4  -0.273861   0.001230   0.129889
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+    6
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+    0SOL     H2    2   0.063257   0.071397  -0.007962
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+    1SOL     H6    6   0.073269  -0.135174  -0.320263
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+    6
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+    1SOL     H5    5  -0.033984   0.078104   0.206449
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+    6
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+    0SOL     H2    2   0.093245   0.004469  -0.021159
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+    1SOL     H5    5   0.114155   0.265310  -0.057433
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+    6
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+    0SOL     H2    2   0.003172   0.067998  -0.067294
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+    1SOL     H5    5  -0.117906  -0.047105   0.268681
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+    6
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+    0SOL     H2    2   0.075752  -0.057355  -0.011588
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+    1SOL     H5    5   0.044511   0.210739   0.096792
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+    6
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+    1SOL     H5    5  -0.101547  -0.184428  -0.175111
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+    6
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+    1SOL     O4    4   0.294949  -0.002822  -0.009437
+    1SOL     H5    5   0.389202   0.009990   0.001259
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+    6
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+    1SOL     O4    4   0.229540   0.039300  -0.137682
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+    6
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+    0SOL     H2    2  -0.086752   0.006111  -0.039989
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+    1SOL     O4    4   0.322824  -0.009339   0.049135
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+    6
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+    0SOL     H2    2  -0.087022   0.026820   0.029500
+    0SOL     H3    3   0.059107   0.030339   0.068908
+    1SOL     O4    4   0.077886  -0.237546   0.205196
+    1SOL     H5    5   0.124580  -0.210611   0.126097
+    1SOL     H6    6   0.123355  -0.192548   0.276401
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.093839   0.016942  -0.008333
+    0SOL     H3    3  -0.033147   0.003876  -0.089714
+    1SOL     O4    4   0.185078   0.165344   0.199453
+    1SOL     H5    5   0.203472   0.072051   0.188477
+    1SOL     H6    6   0.097843   0.177189   0.161876
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058864  -0.029949   0.069285
+    0SOL     H3    3  -0.004539  -0.068557  -0.066646
+    1SOL     O4    4   0.179370  -0.184923  -0.010521
+    1SOL     H5    5   0.189210  -0.165532  -0.103738
+    1SOL     H6    6   0.102415  -0.134784   0.016429
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.050990  -0.042449  -0.068996
+    0SOL     H3    3   0.083850  -0.046167  -0.000270
+    1SOL     O4    4  -0.073548  -0.085311   0.229315
+    1SOL     H5    5  -0.075962  -0.039067   0.145541
+    1SOL     H6    6  -0.151013  -0.054193   0.276146
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.027969   0.019600   0.089420
+    0SOL     H3    3  -0.042430  -0.085568   0.006338
+    1SOL     O4    4   0.092567  -0.210786   0.140578
+    1SOL     H5    5   0.081367  -0.305848   0.140932
+    1SOL     H6    6   0.179511  -0.196725   0.178064
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.011246  -0.079896  -0.051502
+    0SOL     H3    3  -0.080918   0.038817  -0.033284
+    1SOL     O4    4  -0.263881  -0.022373   0.135168
+    1SOL     H5    5  -0.316460  -0.079446   0.191207
+    1SOL     H6    6  -0.189869  -0.076764   0.108223
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068191   0.063187   0.022798
+    0SOL     H3    3  -0.063786   0.050631  -0.050300
+    1SOL     O4    4  -0.017338  -0.152715  -0.296851
+    1SOL     H5    5   0.016020  -0.169086  -0.208638
+    1SOL     H6    6  -0.023694  -0.239557  -0.336605
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042582  -0.085456   0.006809
+    0SOL     H3    3   0.015621   0.011630  -0.093718
+    1SOL     O4    4   0.025738   0.092999  -0.235196
+    1SOL     H5    5   0.062052   0.179914  -0.252208
+    1SOL     H6    6   0.044914   0.043025  -0.314550
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.053028  -0.055618   0.057071
+    0SOL     H3    3   0.084538   0.006314   0.044451
+    1SOL     O4    4   0.208602  -0.003340  -0.229796
+    1SOL     H5    5   0.208303  -0.010529  -0.134347
+    1SOL     H6    6   0.267425  -0.073009  -0.258926
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040391   0.080451   0.032535
+    0SOL     H3    3   0.035409  -0.042390   0.078176
+    1SOL     O4    4   0.142128   0.004273  -0.286880
+    1SOL     H5    5   0.123573   0.036516  -0.198684
+    1SOL     H6    6   0.162134  -0.088548  -0.274783
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.012779   0.012664  -0.094014
+    0SOL     H3    3   0.084428   0.022710   0.038969
+    1SOL     O4    4  -0.304604   0.085540   0.070674
+    1SOL     H5    5  -0.235474   0.076286   0.136231
+    1SOL     H6    6  -0.261792   0.064936  -0.012422
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011392   0.055134  -0.077413
+    0SOL     H3    3  -0.023586  -0.087954  -0.029497
+    1SOL     O4    4  -0.098241  -0.066346   0.273059
+    1SOL     H5    5  -0.065840  -0.102147   0.190410
+    1SOL     H6    6  -0.112705  -0.143080   0.328421
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071891   0.058792  -0.023184
+    0SOL     H3    3  -0.033690   0.034698   0.082604
+    1SOL     O4    4   0.206447   0.176719   0.164522
+    1SOL     H5    5   0.162557   0.130514   0.235944
+    1SOL     H6    6   0.259138   0.243716   0.208081
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.087256  -0.026946   0.028680
+    0SOL     H3    3  -0.046118  -0.082144  -0.016963
+    1SOL     O4    4  -0.296991   0.103711  -0.065062
+    1SOL     H5    5  -0.382596   0.138706  -0.040375
+    1SOL     H6    6  -0.250304   0.178528  -0.102278
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.017422   0.087167   0.035505
+    0SOL     H3    3  -0.095029  -0.002829  -0.011123
+    1SOL     O4    4  -0.050416  -0.075582   0.263313
+    1SOL     H5    5  -0.069816   0.009398   0.302867
+    1SOL     H6    6  -0.036242  -0.056246   0.170645
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053906   0.024260   0.075285
+    0SOL     H3    3  -0.011625   0.081692  -0.048514
+    1SOL     O4    4   0.226606  -0.158737  -0.077933
+    1SOL     H5    5   0.260419  -0.147853   0.010952
+    1SOL     H6    6   0.175509  -0.079417  -0.094052
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.059290   0.075078  -0.003213
+    0SOL     H3    3  -0.040824  -0.060172   0.062250
+    1SOL     O4    4   0.103906  -0.244571  -0.116010
+    1SOL     H5    5   0.139352  -0.187217  -0.183954
+    1SOL     H6    6   0.045248  -0.188382  -0.065371
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034898   0.012602   0.088236
+    0SOL     H3    3   0.084061   0.045777   0.000675
+    1SOL     O4    4   0.301048  -0.047746   0.032175
+    1SOL     H5    5   0.368015  -0.114015   0.015262
+    1SOL     H6    6   0.341974   0.012400   0.094383
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030840   0.076360  -0.048789
+    0SOL     H3    3   0.066566   0.034735   0.059370
+    1SOL     O4    4   0.012487  -0.246736   0.085198
+    1SOL     H5    5   0.004925  -0.168656   0.030347
+    1SOL     H6    6   0.028289  -0.318069   0.023357
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062998   0.063912  -0.033300
+    0SOL     H3    3  -0.036346  -0.027997   0.084008
+    1SOL     O4    4  -0.005248  -0.011556   0.278865
+    1SOL     H5    5  -0.031131  -0.096133   0.315460
+    1SOL     H6    6  -0.045670   0.053040   0.336795
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088872  -0.035435   0.002898
+    0SOL     H3    3   0.022033   0.017056   0.091575
+    1SOL     O4    4   0.143167   0.050433   0.223808
+    1SOL     H5    5   0.121516   0.078657   0.312673
+    1SOL     H6    6   0.223594  -0.000511   0.233733
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016358   0.093777   0.010027
+    0SOL     H3    3  -0.086046  -0.040619   0.010415
+    1SOL     O4    4   0.072924   0.255007   0.030251
+    1SOL     H5    5   0.149458   0.247608  -0.026758
+    1SOL     H6    6   0.107055   0.239679   0.118356
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.026811  -0.027308   0.087737
+    0SOL     H3    3  -0.076788  -0.016386  -0.054748
+    1SOL     O4    4   0.082438   0.248270   0.059920
+    1SOL     H5    5   0.024332   0.320104   0.034902
+    1SOL     H6    6   0.051005   0.173277   0.009420
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/468/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036924  -0.080954  -0.035291
+    0SOL     H3    3   0.024084   0.067173  -0.063797
+    1SOL     O4    4   0.132574   0.193299   0.172386
+    1SOL     H5    5   0.164899   0.226170   0.088499
+    1SOL     H6    6   0.062265   0.132724   0.148941
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029655  -0.025859  -0.087259
+    0SOL     H3    3   0.080396   0.021592   0.047250
+    1SOL     O4    4   0.160035   0.270707  -0.129502
+    1SOL     H5    5   0.153078   0.177603  -0.150610
+    1SOL     H6    6   0.252154   0.291911  -0.144559
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.095487   0.006630   0.000727
+    0SOL     H3    3   0.025454   0.010056   0.091724
+    1SOL     O4    4   0.132679   0.240657  -0.016450
+    1SOL     H5    5   0.221486   0.243427   0.019157
+    1SOL     H6    6   0.091440   0.166390   0.027666
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070065  -0.064094  -0.012047
+    0SOL     H3    3  -0.079876  -0.052477   0.005318
+    1SOL     O4    4  -0.299766   0.130581  -0.085818
+    1SOL     H5    5  -0.362368   0.200979  -0.102773
+    1SOL     H6    6  -0.278331   0.139379   0.007055
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.008354  -0.082683   0.047497
+    0SOL     H3    3  -0.090214   0.027939  -0.015594
+    1SOL     O4    4  -0.040300  -0.013108  -0.268729
+    1SOL     H5    5  -0.062979  -0.082683  -0.207025
+    1SOL     H6    6   0.017933   0.044671  -0.219406
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.091813   0.002172   0.026982
+    0SOL     H3    3  -0.012504  -0.088007  -0.035507
+    1SOL     O4    4   0.005407  -0.236660  -0.167727
+    1SOL     H5    5  -0.009385  -0.330975  -0.160779
+    1SOL     H6    6   0.025575  -0.222278  -0.260186
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.070093  -0.060481   0.024320
+    0SOL     H3    3  -0.009634   0.057380   0.076007
+    1SOL     O4    4  -0.066356   0.161427  -0.216994
+    1SOL     H5    5  -0.095290   0.133282  -0.303786
+    1SOL     H6    6  -0.045393   0.080067  -0.171131
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.008290  -0.091135   0.028070
+    0SOL     H3    3   0.088359   0.024889  -0.027122
+    1SOL     O4    4   0.279010   0.132846   0.171708
+    1SOL     H5    5   0.252522   0.215713   0.211629
+    1SOL     H6    6   0.313502   0.157494   0.085888
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.089637   0.019918  -0.027033
+    0SOL     H3    3   0.054955   0.049325  -0.060904
+    1SOL     O4    4   0.016449   0.196488   0.204370
+    1SOL     H5    5   0.064108   0.204037   0.121703
+    1SOL     H6    6  -0.075184   0.186810   0.178447
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.049242   0.016177  -0.080473
+    0SOL     H3    3  -0.047251   0.048986   0.067306
+    1SOL     O4    4  -0.106298   0.184328   0.169926
+    1SOL     H5    5  -0.047885   0.225050   0.233895
+    1SOL     H6    6  -0.185600   0.163850   0.219465
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.061618  -0.038765   0.062151
+    0SOL     H3    3  -0.055343   0.036694  -0.068942
+    1SOL     O4    4   0.049851  -0.241857  -0.048764
+    1SOL     H5    5   0.134353  -0.265468  -0.087029
+    1SOL     H6    6   0.050713  -0.146184  -0.045864
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039267   0.076599   0.041869
+    0SOL     H3    3   0.041235  -0.048079   0.071767
+    1SOL     O4    4   0.034246   0.300832  -0.172712
+    1SOL     H5    5  -0.040937   0.325024  -0.118633
+    1SOL     H6    6   0.064314   0.383531  -0.210384
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.055593   0.050384  -0.059440
+    0SOL     H3    3  -0.001196  -0.088180  -0.037218
+    1SOL     O4    4  -0.159652   0.276466   0.071562
+    1SOL     H5    5  -0.238475   0.315489   0.033793
+    1SOL     H6    6  -0.114281   0.237109  -0.002968
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071350  -0.062210   0.014191
+    0SOL     H3    3   0.074994  -0.054515  -0.023796
+    1SOL     O4    4   0.112455  -0.253686   0.005314
+    1SOL     H5    5   0.112755  -0.337309   0.051890
+    1SOL     H6    6   0.166381  -0.269211  -0.072230
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.024773   0.042856  -0.081926
+    0SOL     H3    3  -0.053093  -0.074866  -0.027178
+    1SOL     O4    4  -0.173511  -0.221379   0.027331
+    1SOL     H5    5  -0.232930  -0.223858   0.102335
+    1SOL     H6    6  -0.131230  -0.307255   0.027361
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005933  -0.091229   0.028361
+    0SOL     H3    3  -0.010513   0.049714   0.081119
+    1SOL     O4    4   0.201466   0.072213  -0.175950
+    1SOL     H5    5   0.165428   0.079005  -0.264366
+    1SOL     H6    6   0.124924   0.060580  -0.119663
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/484/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.030589   0.000112   0.090701
+    0SOL     H3    3   0.063739   0.071304  -0.003919
+    1SOL     O4    4   0.190811   0.017262   0.257003
+    1SOL     H5    5   0.150495   0.053023   0.336112
+    1SOL     H6    6   0.200332   0.092618   0.198753
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/485/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.031241  -0.085867   0.028516
+    0SOL     H3    3  -0.070570   0.060240   0.023522
+    1SOL     O4    4   0.202129  -0.109462   0.278364
+    1SOL     H5    5   0.284007  -0.059935   0.276056
+    1SOL     H6    6   0.164329  -0.089364   0.363977
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/486/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.068487  -0.065931   0.011182
+    0SOL     H3    3   0.045472   0.083691   0.009510
+    1SOL     O4    4  -0.196233   0.222996   0.011055
+    1SOL     H5    5  -0.227336   0.133028   0.021084
+    1SOL     H6    6  -0.109067   0.222803   0.050608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/487/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.046456   0.028481   0.078695
+    0SOL     H3    3  -0.048571  -0.076806  -0.030066
+    1SOL     O4    4   0.152295   0.023738  -0.227825
+    1SOL     H5    5   0.098842   0.030764  -0.148732
+    1SOL     H6    6   0.188830  -0.064666  -0.224326
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/488/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.094361  -0.012325   0.010318
+    0SOL     H3    3   0.014865   0.091744   0.022898
+    1SOL     O4    4   0.144171   0.007098  -0.241478
+    1SOL     H5    5   0.088008  -0.024709  -0.170793
+    1SOL     H6    6   0.145075   0.102179  -0.230473
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/489/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031184  -0.056501   0.070693
+    0SOL     H3    3   0.070502  -0.001419  -0.064728
+    1SOL     O4    4   0.193564  -0.092930  -0.150733
+    1SOL     H5    5   0.222838  -0.180117  -0.124205
+    1SOL     H6    6   0.140075  -0.108242  -0.228623
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/490/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003499  -0.050499  -0.081240
+    0SOL     H3    3  -0.037685  -0.058143   0.066042
+    1SOL     O4    4  -0.207117   0.173563  -0.008550
+    1SOL     H5    5  -0.149215   0.099452  -0.026361
+    1SOL     H6    6  -0.261285   0.181118  -0.087105
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/491/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060049   0.042459   0.061267
+    0SOL     H3    3   0.071227   0.062939  -0.011300
+    1SOL     O4    4   0.183268  -0.217568  -0.067791
+    1SOL     H5    5   0.144641  -0.287047  -0.014472
+    1SOL     H6    6   0.125324  -0.142463  -0.054984
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.005135   0.035182  -0.088872
+    0SOL     H3    3  -0.002767  -0.094938  -0.011895
+    1SOL     O4    4  -0.089430   0.192388  -0.192314
+    1SOL     H5    5  -0.059682   0.248384  -0.264020
+    1SOL     H6    6  -0.184010   0.206595  -0.188421
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/493/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.070874   0.015080  -0.062544
+    0SOL     H3    3  -0.015837  -0.088301   0.033385
+    1SOL     O4    4   0.208899  -0.089706  -0.132708
+    1SOL     H5    5   0.208318  -0.183101  -0.111746
+    1SOL     H6    6   0.126411  -0.056619  -0.097165
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/494/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.018166  -0.091066  -0.023224
+    0SOL     H3    3   0.083078  -0.003440   0.047419
+    1SOL     O4    4   0.242037  -0.061178   0.089361
+    1SOL     H5    5   0.297285  -0.002293   0.037957
+    1SOL     H6    6   0.250752  -0.146123   0.046110
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/495/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.015700   0.081202  -0.048187
+    0SOL     H3    3  -0.018883   0.022170   0.091182
+    1SOL     O4    4  -0.059459   0.262310  -0.100423
+    1SOL     H5    5   0.034418   0.279111  -0.108624
+    1SOL     H6    6  -0.090304   0.328268  -0.038290
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/496/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.036978  -0.027063  -0.084039
+    0SOL     H3    3  -0.025571   0.091276  -0.013310
+    1SOL     O4    4   0.198541   0.084833   0.197598
+    1SOL     H5    5   0.137364   0.032069   0.146259
+    1SOL     H6    6   0.285130   0.054233   0.170609
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/497/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.074271   0.060383   0.000152
+    0SOL     H3    3   0.058953   0.034638  -0.066986
+    1SOL     O4    4  -0.153780   0.235755  -0.037245
+    1SOL     H5    5  -0.109964   0.304891  -0.086871
+    1SOL     H6    6  -0.138413   0.258596   0.054431
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/498/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.035760   0.082067  -0.033889
+    0SOL     H3    3   0.078322  -0.015647  -0.052755
+    1SOL     O4    4   0.312831   0.144847   0.040540
+    1SOL     H5    5   0.263927   0.219289   0.075597
+    1SOL     H6    6   0.363240   0.181351  -0.032182
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/499/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078729   0.051600   0.017364
+    0SOL     H3    3  -0.026872  -0.063025  -0.066844
+    1SOL     O4    4   0.289436  -0.056761  -0.166015
+    1SOL     H5    5   0.286034  -0.092790  -0.077399
+    1SOL     H6    6   0.198938  -0.032427  -0.185518
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/500/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050046   0.074882   0.032409
+    0SOL     H3    3   0.042895  -0.023768  -0.082203
+    1SOL     O4    4   0.000012   0.396912  -0.035141
+    1SOL     H5    5  -0.092463   0.408364  -0.057041
+    1SOL     H6    6   0.022923   0.475675   0.014192
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/501/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039285   0.049900  -0.071617
+    0SOL     H3    3   0.087453   0.037537   0.010258
+    1SOL     O4    4  -0.052421   0.090027  -0.234315
+    1SOL     H5    5  -0.129578   0.070396  -0.287453
+    1SOL     H6    6   0.003390   0.142658  -0.291564
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/502/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048838  -0.073783  -0.036514
+    0SOL     H3    3  -0.091848  -0.025783  -0.007837
+    1SOL     O4    4  -0.048015   0.052143  -0.319011
+    1SOL     H5    5  -0.103304   0.111496  -0.268190
+    1SOL     H6    6  -0.109763  -0.001601  -0.368621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/503/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.069157   0.044477   0.049005
+    0SOL     H3    3  -0.080960   0.041597   0.029622
+    1SOL     O4    4   0.236715   0.042291   0.126806
+    1SOL     H5    5   0.255563  -0.038614   0.174362
+    1SOL     H6    6   0.264009   0.024177   0.036866
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/504/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.078563  -0.007987   0.054096
+    0SOL     H3    3  -0.051062  -0.078425   0.020112
+    1SOL     O4    4  -0.211862   0.142866   0.088040
+    1SOL     H5    5  -0.153716   0.073066   0.057883
+    1SOL     H6    6  -0.287651   0.137807   0.029793
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/505/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042656   0.003875   0.085602
+    0SOL     H3    3  -0.067806  -0.066822   0.009978
+    1SOL     O4    4   0.044310   0.061053  -0.277421
+    1SOL     H5    5   0.025650   0.146041  -0.317310
+    1SOL     H6    6  -0.030773   0.044267  -0.220474
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/506/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.032294   0.017463  -0.088399
+    0SOL     H3    3   0.013520   0.086728   0.038180
+    1SOL     O4    4  -0.014737  -0.230434   0.147182
+    1SOL     H5    5   0.004356  -0.273751   0.063987
+    1SOL     H6    6  -0.002938  -0.137208   0.128962
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/507/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014917   0.032363  -0.088840
+    0SOL     H3    3   0.015789  -0.094229  -0.005817
+    1SOL     O4    4  -0.088653  -0.138493   0.223691
+    1SOL     H5    5  -0.182646  -0.156596   0.223866
+    1SOL     H6    6  -0.047979  -0.222585   0.244582
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/508/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.019286  -0.070363   0.061963
+    0SOL     H3    3  -0.081259   0.050319  -0.005225
+    1SOL     O4    4  -0.101067  -0.196696   0.181772
+    1SOL     H5    5  -0.085127  -0.167892   0.271653
+    1SOL     H6    6  -0.031455  -0.259989   0.164152
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/509/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077057  -0.032939   0.046255
+    0SOL     H3    3   0.073239  -0.019487   0.058469
+    1SOL     O4    4   0.071054  -0.296794   0.092771
+    1SOL     H5    5   0.037511  -0.258338   0.011787
+    1SOL     H6    6   0.162604  -0.269082   0.096376
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/510/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.058817   0.057855   0.048535
+    0SOL     H3    3  -0.087653   0.024617   0.029550
+    1SOL     O4    4  -0.092262  -0.307221   0.031585
+    1SOL     H5    5  -0.150581  -0.234820   0.008796
+    1SOL     H6    6  -0.044139  -0.276059   0.108236
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/511/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004211   0.015021   0.094440
+    0SOL     H3    3  -0.077419  -0.052853  -0.019370
+    1SOL     O4    4  -0.190049  -0.156384   0.094256
+    1SOL     H5    5  -0.109060  -0.206728   0.102536
+    1SOL     H6    6  -0.198957  -0.111277   0.178210
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/512/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.006746   0.087936  -0.037204
+    0SOL     H3    3  -0.083796  -0.013879   0.044136
+    1SOL     O4    4   0.092230   0.263357  -0.056526
+    1SOL     H5    5   0.173120   0.234057  -0.014567
+    1SOL     H6    6   0.118455   0.286602  -0.145600
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/513/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094466   0.015418  -0.000931
+    0SOL     H3    3  -0.032739   0.046968  -0.076711
+    1SOL     O4    4  -0.025429  -0.250072   0.135675
+    1SOL     H5    5  -0.088144  -0.321581   0.146430
+    1SOL     H6    6  -0.060924  -0.197611   0.063910
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/514/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.038324   0.068230  -0.055121
+    0SOL     H3    3   0.007614   0.034061   0.089130
+    1SOL     O4    4   0.221548   0.036521  -0.140295
+    1SOL     H5    5   0.195549   0.124391  -0.167960
+    1SOL     H6    6   0.316921   0.040781  -0.133358
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/515/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.085830   0.020190  -0.037254
+    0SOL     H3    3   0.014246   0.000314   0.094654
+    1SOL     O4    4   0.225475   0.059737  -0.195476
+    1SOL     H5    5   0.294100   0.123760  -0.214291
+    1SOL     H6    6   0.271245  -0.024270  -0.192297
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/516/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.041328   0.051683   0.069161
+    0SOL     H3    3  -0.054463  -0.063375   0.046689
+    1SOL     O4    4   0.227038   0.204842  -0.002801
+    1SOL     H5    5   0.289345   0.217525   0.068748
+    1SOL     H6    6   0.251352   0.120574  -0.041143
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/517/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.046419   0.026466  -0.079417
+    0SOL     H3    3  -0.051545   0.076872   0.024415
+    1SOL     O4    4  -0.177887   0.189547   0.045714
+    1SOL     H5    5  -0.191718   0.250819  -0.026513
+    1SOL     H6    6  -0.192261   0.241810   0.124608
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/518/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076377   0.054830  -0.017958
+    0SOL     H3    3  -0.035488  -0.088468   0.008741
+    1SOL     O4    4   0.056673  -0.197393   0.166623
+    1SOL     H5    5  -0.029669  -0.202987   0.207563
+    1SOL     H6    6   0.092107  -0.113706   0.196677
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/519/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.067594   0.024265   0.063282
+    0SOL     H3    3   0.078979   0.044247   0.031094
+    1SOL     O4    4   0.139617   0.064481  -0.237414
+    1SOL     H5    5   0.213924   0.007296  -0.218160
+    1SOL     H6    6   0.071935   0.037624  -0.175284
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062494   0.025827  -0.067748
+    0SOL     H3    3   0.024863  -0.089609   0.022682
+    1SOL     O4    4  -0.027890   0.133014   0.228166
+    1SOL     H5    5  -0.102924   0.192025   0.235240
+    1SOL     H6    6  -0.028783   0.103880   0.136992
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075623   0.055689  -0.018498
+    0SOL     H3    3   0.070466   0.036711  -0.053377
+    1SOL     O4    4   0.237939   0.124199  -0.075604
+    1SOL     H5    5   0.326865   0.090688  -0.087076
+    1SOL     H6    6   0.249050   0.205184  -0.025801
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/522/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.088001  -0.025691  -0.027533
+    0SOL     H3    3  -0.011682   0.034611   0.088475
+    1SOL     O4    4  -0.264688   0.012370  -0.103735
+    1SOL     H5    5  -0.334241  -0.017947  -0.045378
+    1SOL     H6    6  -0.262500  -0.052429  -0.174153
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/523/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.001508   0.092632   0.024068
+    0SOL     H3    3  -0.092273  -0.024693  -0.006188
+    1SOL     O4    4  -0.113960   0.279339  -0.042655
+    1SOL     H5    5  -0.139962   0.362200  -0.002403
+    1SOL     H6    6  -0.181929   0.261914  -0.107761
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032332  -0.028257   0.085548
+    0SOL     H3    3  -0.066004   0.066372   0.020016
+    1SOL     O4    4   0.030472  -0.226700   0.232144
+    1SOL     H5    5   0.089634  -0.161196   0.269176
+    1SOL     H6    6   0.079383  -0.308823   0.237233
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/525/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.080644  -0.048384   0.017830
+    0SOL     H3    3   0.029673   0.086369  -0.028674
+    1SOL     O4    4  -0.032947  -0.175369  -0.219370
+    1SOL     H5    5  -0.047162  -0.107658  -0.153223
+    1SOL     H6    6   0.054605  -0.157428  -0.253649
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/526/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.074807  -0.027365  -0.053079
+    0SOL     H3    3  -0.027215   0.083479  -0.038117
+    1SOL     O4    4   0.258238  -0.196921   0.160566
+    1SOL     H5    5   0.321847  -0.181974   0.090617
+    1SOL     H6    6   0.268158  -0.289532   0.182638
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/527/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.075805  -0.045149  -0.037115
+    0SOL     H3    3  -0.036520   0.055648   0.068789
+    1SOL     O4    4  -0.187571  -0.194108  -0.092472
+    1SOL     H5    5  -0.213888  -0.255742  -0.024127
+    1SOL     H6    6  -0.258287  -0.198042  -0.156862
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/528/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012921  -0.087234   0.037224
+    0SOL     H3    3   0.088787   0.024358   0.026190
+    1SOL     O4    4   0.109011  -0.165724  -0.249573
+    1SOL     H5    5   0.175468  -0.152269  -0.317136
+    1SOL     H6    6   0.117092  -0.089368  -0.192418
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/529/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.051090   0.079384   0.015821
+    0SOL     H3    3  -0.063809  -0.063533  -0.032470
+    1SOL     O4    4   0.240301   0.167125   0.070620
+    1SOL     H5    5   0.278567   0.254597   0.063787
+    1SOL     H6    6   0.158719   0.180325   0.118914
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.084147  -0.039720   0.022450
+    0SOL     H3    3  -0.007967   0.022290  -0.092747
+    1SOL     O4    4   0.051286   0.058170  -0.254573
+    1SOL     H5    5   0.034839  -0.005236  -0.324369
+    1SOL     H6    6   0.011170   0.139250  -0.285863
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/531/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.057487  -0.069180  -0.032736
+    0SOL     H3    3  -0.058406   0.059476   0.047049
+    1SOL     O4    4  -0.207542   0.149906   0.090434
+    1SOL     H5    5  -0.279074   0.096169   0.056408
+    1SOL     H6    6  -0.229183   0.163005   0.182751
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/532/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.086730   0.040467   0.001617
+    0SOL     H3    3   0.051792   0.056526  -0.057312
+    1SOL     O4    4  -0.005807   0.243473   0.190172
+    1SOL     H5    5   0.013476   0.154964   0.159242
+    1SOL     H6    6  -0.099711   0.254248   0.175060
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/533/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.042059  -0.082179   0.025298
+    0SOL     H3    3  -0.061830   0.040972  -0.060503
+    1SOL     O4    4  -0.083814  -0.228642   0.070856
+    1SOL     H5    5  -0.146581  -0.296225   0.045261
+    1SOL     H6    6  -0.000149  -0.274722   0.077111
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/534/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066316  -0.067070  -0.016311
+    0SOL     H3    3  -0.045254   0.066322   0.052113
+    1SOL     O4    4   0.215319  -0.190554   0.004352
+    1SOL     H5    5   0.181511  -0.227409   0.085967
+    1SOL     H6    6   0.165844  -0.109500  -0.007687
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/535/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.029496   0.008063  -0.090704
+    0SOL     H3    3   0.035502   0.077382   0.043749
+    1SOL     O4    4  -0.197952   0.232777   0.196150
+    1SOL     H5    5  -0.225745   0.147875   0.161778
+    1SOL     H6    6  -0.276040   0.287812   0.190181
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/536/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020652   0.092529  -0.013201
+    0SOL     H3    3  -0.009402  -0.009202   0.094812
+    1SOL     O4    4   0.189149  -0.178985  -0.104260
+    1SOL     H5    5   0.127513  -0.196838  -0.033234
+    1SOL     H6    6   0.209566  -0.085881  -0.095481
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/537/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.027256   0.003417   0.091694
+    0SOL     H3    3  -0.077771  -0.030001  -0.047052
+    1SOL     O4    4  -0.158183   0.032633   0.190921
+    1SOL     H5    5  -0.123071   0.069545   0.271957
+    1SOL     H6    6  -0.241115  -0.007547   0.216809
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/538/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.013808   0.088006  -0.035024
+    0SOL     H3    3   0.019450  -0.053638  -0.076857
+    1SOL     O4    4   0.116506  -0.271728   0.079868
+    1SOL     H5    5   0.113940  -0.337892   0.148991
+    1SOL     H6    6   0.025512  -0.263209   0.051411
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/539/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.072496   0.057877  -0.023601
+    0SOL     H3    3   0.057217   0.054151   0.054371
+    1SOL     O4    4  -0.110541   0.242207   0.040942
+    1SOL     H5    5  -0.188178   0.297034   0.029593
+    1SOL     H6    6  -0.037900   0.304302   0.046400
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/540/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.034131  -0.008020   0.089068
+    0SOL     H3    3  -0.031094   0.085408  -0.030016
+    1SOL     O4    4  -0.096765   0.251193  -0.037643
+    1SOL     H5    5  -0.133308   0.329252   0.003994
+    1SOL     H6    6  -0.023516   0.283909  -0.089860
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/541/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.062604   0.018456   0.070018
+    0SOL     H3    3   0.077368  -0.033627   0.045231
+    1SOL     O4    4  -0.108860   0.084957   0.227251
+    1SOL     H5    5  -0.110539  -0.003041   0.264879
+    1SOL     H6    6  -0.197075   0.097845   0.192404
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/542/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044733   0.065329   0.053791
+    0SOL     H3    3  -0.035145   0.013264  -0.088041
+    1SOL     O4    4  -0.083152   0.243112   0.212948
+    1SOL     H5    5  -0.015334   0.285036   0.159982
+    1SOL     H6    6  -0.162879   0.251138   0.160589
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/543/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.092920   0.007742  -0.021640
+    0SOL     H3    3  -0.020911  -0.091934  -0.016528
+    1SOL     O4    4  -0.178347   0.182056   0.029636
+    1SOL     H5    5  -0.122430   0.253570  -0.000717
+    1SOL     H6    6  -0.130401   0.102555   0.006331
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/544/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.004401   0.075091  -0.059198
+    0SOL     H3    3   0.083755  -0.044811  -0.011810
+    1SOL     O4    4   0.265244  -0.113956   0.033185
+    1SOL     H5    5   0.335556  -0.134577  -0.028406
+    1SOL     H6    6   0.301427  -0.135744   0.119083
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/545/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.012870   0.094827  -0.002146
+    0SOL     H3    3   0.069733  -0.013307   0.064207
+    1SOL     O4    4   0.154705   0.097718  -0.216309
+    1SOL     H5    5   0.149261   0.033367  -0.145658
+    1SOL     H6    6   0.230587   0.151592  -0.193906
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/546/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.040786  -0.078133  -0.037336
+    0SOL     H3    3   0.088199  -0.028218   0.024229
+    1SOL     O4    4   0.258110  -0.145119  -0.003710
+    1SOL     H5    5   0.228657  -0.234766   0.012361
+    1SOL     H6    6   0.353575  -0.149954   0.001336
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/547/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.006747  -0.080804   0.050867
+    0SOL     H3    3   0.083533   0.044467   0.014398
+    1SOL     O4    4  -0.265544  -0.087134  -0.046183
+    1SOL     H5    5  -0.228600  -0.163315  -0.090836
+    1SOL     H6    6  -0.190879  -0.028844  -0.032411
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/548/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.050890  -0.031527   0.074690
+    0SOL     H3    3   0.052351  -0.023866  -0.076499
+    1SOL     O4    4  -0.188447   0.058145   0.174390
+    1SOL     H5    5  -0.220428  -0.029827   0.154380
+    1SOL     H6    6  -0.130619   0.079866   0.101270
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/549/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004839  -0.053129   0.079475
+    0SOL     H3    3   0.092907   0.021158  -0.009104
+    1SOL     O4    4   0.148908  -0.129366  -0.228012
+    1SOL     H5    5   0.083775  -0.177405  -0.279122
+    1SOL     H6    6   0.115535  -0.039710  -0.224807
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.034924  -0.088442   0.010984
+    0SOL     H3    3  -0.046488  -0.002769  -0.083627
+    1SOL     O4    4  -0.088202  -0.051243   0.260311
+    1SOL     H5    5  -0.160700   0.010206   0.248888
+    1SOL     H6    6  -0.079140  -0.093785   0.175045
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.048466  -0.077298  -0.028955
+    0SOL     H3    3  -0.043980   0.031694  -0.078890
+    1SOL     O4    4   0.226247   0.119918   0.065082
+    1SOL     H5    5   0.264177   0.032569   0.074767
+    1SOL     H6    6   0.131916   0.104642   0.059558
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/552/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.085392  -0.011910  -0.041578
+    0SOL     H3    3   0.059549   0.019004  -0.072492
+    1SOL     O4    4   0.234570  -0.316304  -0.130965
+    1SOL     H5    5   0.265843  -0.277997  -0.212921
+    1SOL     H6    6   0.255742  -0.250950  -0.064310
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/553/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056919   0.069199   0.033675
+    0SOL     H3    3   0.040699  -0.081275   0.030005
+    1SOL     O4    4  -0.001405  -0.250450   0.164984
+    1SOL     H5    5   0.070271  -0.260767   0.227581
+    1SOL     H6    6  -0.072724  -0.302962   0.201294
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/554/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.030894   0.080334   0.041886
+    0SOL     H3    3   0.053978  -0.008369  -0.078605
+    1SOL     O4    4  -0.019604   0.234102   0.125151
+    1SOL     H5    5   0.009464   0.324775   0.134938
+    1SOL     H6    6  -0.086678   0.222998   0.192531
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/555/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062105   0.072750  -0.003582
+    0SOL     H3    3   0.050525  -0.072941   0.035904
+    1SOL     O4    4  -0.110869  -0.105462  -0.301866
+    1SOL     H5    5  -0.115333  -0.187398  -0.351149
+    1SOL     H6    6  -0.017202  -0.089458  -0.290347
+  3.000000   3.000000   3.000000
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.010619   0.074743   0.058847
+    0SOL     H3    3  -0.087974  -0.032843   0.018553
+    1SOL     O4    4   0.008857  -0.173369  -0.229391
+    1SOL     H5    5   0.022787  -0.105405  -0.163443
+    1SOL     H6    6   0.096576  -0.206530  -0.248578
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+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.009891   0.094808  -0.008718
+    0SOL     H3    3   0.092195  -0.012544   0.022471
+    1SOL     O4    4  -0.085109  -0.067167  -0.244914
+    1SOL     H5    5  -0.023197  -0.126467  -0.287490
+    1SOL     H6    6  -0.051856  -0.057805  -0.155645
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/558/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040839  -0.010262  -0.085960
+    0SOL     H3    3  -0.039812  -0.085171   0.017977
+    1SOL     O4    4   0.140543   0.003071  -0.259612
+    1SOL     H5    5   0.114828   0.092085  -0.283645
+    1SOL     H6    6   0.111330  -0.050990  -0.333004
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/559/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.029549   0.077429  -0.047895
+    0SOL     H3    3   0.095026  -0.000516  -0.011497
+    1SOL     O4    4   0.023314  -0.052882  -0.296082
+    1SOL     H5    5   0.021437  -0.132640  -0.243191
+    1SOL     H6    6   0.016896   0.018297  -0.232406
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/560/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.040093   0.010927  -0.086229
+    0SOL     H3    3  -0.093224  -0.011842  -0.018206
+    1SOL     O4    4   0.018193   0.227564   0.173023
+    1SOL     H5    5   0.008174   0.294729   0.105563
+    1SOL     H6    6  -0.016382   0.147858   0.132851
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/561/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.020546  -0.081585   0.045652
+    0SOL     H3    3  -0.023028  -0.027331  -0.088798
+    1SOL     O4    4  -0.243159   0.137690   0.022620
+    1SOL     H5    5  -0.165276   0.094391   0.057575
+    1SOL     H6    6  -0.222542   0.153448  -0.069515
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/562/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020785  -0.091171   0.020449
+    0SOL     H3    3  -0.083205   0.046328   0.009644
+    1SOL     O4    4  -0.303772  -0.119143  -0.054164
+    1SOL     H5    5  -0.282207  -0.195675  -0.000871
+    1SOL     H6    6  -0.399251  -0.113457  -0.050468
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/563/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.004416   0.031917   0.090134
+    0SOL     H3    3   0.007473  -0.095045   0.008536
+    1SOL     O4    4  -0.015048  -0.198288  -0.241604
+    1SOL     H5    5  -0.008584  -0.230258  -0.331595
+    1SOL     H6    6  -0.091577  -0.243144  -0.205639
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/564/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.053146   0.001500   0.079596
+    0SOL     H3    3   0.059668   0.028434  -0.069236
+    1SOL     O4    4   0.301221   0.320636  -0.003700
+    1SOL     H5    5   0.269863   0.252155  -0.062771
+    1SOL     H6    6   0.240782   0.393602  -0.017318
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/565/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.083410  -0.024623   0.039984
+    0SOL     H3    3  -0.018435   0.082336  -0.045202
+    1SOL     O4    4  -0.067853   0.164511  -0.208368
+    1SOL     H5    5  -0.149798   0.167344  -0.257756
+    1SOL     H6    6  -0.019603   0.090970  -0.246131
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/566/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090253   0.022671  -0.022423
+    0SOL     H3    3   0.051811   0.031805  -0.073935
+    1SOL     O4    4   0.104720  -0.240424   0.009504
+    1SOL     H5    5   0.052358  -0.263114   0.086352
+    1SOL     H6    6   0.078531  -0.150852  -0.011787
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/567/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.066515  -0.068684  -0.004534
+    0SOL     H3    3   0.083096  -0.046332  -0.010526
+    1SOL     O4    4   0.183452   0.018480  -0.277409
+    1SOL     H5    5   0.252036   0.014127  -0.210778
+    1SOL     H6    6   0.230416   0.035127  -0.359138
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/568/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.077858  -0.005304  -0.055429
+    0SOL     H3    3   0.012438  -0.089169   0.032505
+    1SOL     O4    4   0.307001  -0.030208   0.163613
+    1SOL     H5    5   0.325137  -0.038610   0.257223
+    1SOL     H6    6   0.378339   0.024125   0.130129
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/569/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.071624   0.032594  -0.054497
+    0SOL     H3    3  -0.045328  -0.063533  -0.055419
+    1SOL     O4    4   0.002018   0.171450   0.198744
+    1SOL     H5    5   0.017746   0.262779   0.174786
+    1SOL     H6    6   0.003920   0.124146   0.115551
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/570/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.031313  -0.090386  -0.003477
+    0SOL     H3    3  -0.002165   0.028182  -0.091452
+    1SOL     O4    4  -0.002874  -0.042396  -0.295214
+    1SOL     H5    5  -0.000862  -0.120509  -0.350500
+    1SOL     H6    6   0.004777   0.030653  -0.356595
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/571/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.014452  -0.001157  -0.094616
+    0SOL     H3    3   0.084029   0.027363   0.036779
+    1SOL     O4    4   0.241951   0.094143   0.040088
+    1SOL     H5    5   0.217132   0.091422   0.132494
+    1SOL     H6    6   0.248474   0.187445   0.019728
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/572/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.052965   0.022203   0.076578
+    0SOL     H3    3  -0.049242   0.035056  -0.074220
+    1SOL     O4    4  -0.164075   0.074666   0.172431
+    1SOL     H5    5  -0.135286   0.011044   0.237897
+    1SOL     H6    6  -0.243612   0.036531   0.135257
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/573/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.062767   0.062411  -0.036435
+    0SOL     H3    3   0.014475  -0.080445  -0.049814
+    1SOL     O4    4   0.152077  -0.146428   0.211944
+    1SOL     H5    5   0.242534  -0.121604   0.192876
+    1SOL     H6    6   0.099169  -0.087302   0.158397
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/574/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.042470   0.076304   0.039196
+    0SOL     H3    3  -0.038783  -0.046576   0.074087
+    1SOL     O4    4   0.051670  -0.164865  -0.233072
+    1SOL     H5    5   0.048888  -0.260129  -0.224154
+    1SOL     H6    6   0.017769  -0.131968  -0.149820
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/575/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.025011  -0.092376  -0.001851
+    0SOL     H3    3  -0.031798   0.031783   0.084504
+    1SOL     O4    4  -0.057424   0.223831   0.196567
+    1SOL     H5    5  -0.147204   0.227376   0.229570
+    1SOL     H6    6  -0.010961   0.168448   0.259307
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/576/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.076937   0.049660   0.027874
+    0SOL     H3    3  -0.012210  -0.086782   0.038498
+    1SOL     O4    4   0.149862   0.130230  -0.225597
+    1SOL     H5    5   0.204189   0.097343  -0.153978
+    1SOL     H6    6   0.193542   0.210555  -0.253921
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/577/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013609   0.005338  -0.094597
+    0SOL     H3    3  -0.095023  -0.005136   0.010324
+    1SOL     O4    4  -0.274078   0.075196   0.024154
+    1SOL     H5    5  -0.333607   0.015561   0.069567
+    1SOL     H6    6  -0.263252   0.148787   0.084399
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/578/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.044730   0.029857   0.079184
+    0SOL     H3    3  -0.040495  -0.084378  -0.020070
+    1SOL     O4    4  -0.120431  -0.240733   0.061715
+    1SOL     H5    5  -0.094892  -0.313551   0.005080
+    1SOL     H6    6  -0.122264  -0.278290   0.149739
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/579/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.016532  -0.060759  -0.072093
+    0SOL     H3    3   0.093779  -0.008249   0.017312
+    1SOL     O4    4  -0.297875  -0.213785  -0.068676
+    1SOL     H5    5  -0.294415  -0.178762   0.020339
+    1SOL     H6    6  -0.288860  -0.136961  -0.125059
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/580/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.011935   0.086971  -0.038157
+    0SOL     H3    3   0.029083   0.016896   0.089616
+    1SOL     O4    4  -0.140690  -0.226009   0.084697
+    1SOL     H5    5  -0.098456  -0.149606   0.045441
+    1SOL     H6    6  -0.203423  -0.255349   0.018621
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/581/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.060176   0.073077  -0.014173
+    0SOL     H3    3  -0.048952  -0.061054   0.055121
+    1SOL     O4    4  -0.040598  -0.135874   0.212992
+    1SOL     H5    5   0.044925  -0.178721   0.209490
+    1SOL     H6    6  -0.103318  -0.206013   0.195412
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/582/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.058836   0.075501   0.000455
+    0SOL     H3    3   0.007955  -0.024782   0.092114
+    1SOL     O4    4   0.145067   0.231475  -0.099457
+    1SOL     H5    5   0.097328   0.269426  -0.025680
+    1SOL     H6    6   0.229562   0.276450  -0.099054
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/583/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.049952   0.072111   0.038303
+    0SOL     H3    3  -0.045947  -0.039413   0.074147
+    1SOL     O4    4  -0.162470  -0.022049   0.198412
+    1SOL     H5    5  -0.254924  -0.046530   0.202327
+    1SOL     H6    6  -0.154285   0.050730   0.260044
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/584/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.023479   0.087476   0.030967
+    0SOL     H3    3   0.037302   0.014531  -0.086947
+    1SOL     O4    4  -0.078802   0.231730   0.088687
+    1SOL     H5    5  -0.168466   0.208780   0.064275
+    1SOL     H6    6  -0.083829   0.252134   0.182072
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/585/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.013448  -0.078435  -0.053192
+    0SOL     H3    3   0.031417  -0.024374   0.087070
+    1SOL     O4    4   0.014560  -0.127592  -0.231114
+    1SOL     H5    5   0.101385  -0.091300  -0.248629
+    1SOL     H6    6  -0.046218  -0.061124  -0.263521
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/586/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.094187   0.016265   0.005157
+    0SOL     H3    3  -0.023183   0.021652  -0.090311
+    1SOL     O4    4  -0.128683   0.217160   0.107461
+    1SOL     H5    5  -0.074913   0.146094   0.072521
+    1SOL     H6    6  -0.202555   0.223362   0.046907
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/587/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.063962   0.070336  -0.011138
+    0SOL     H3    3   0.084282   0.044957   0.006143
+    1SOL     O4    4  -0.160336   0.019581   0.292088
+    1SOL     H5    5  -0.073140   0.011525   0.253431
+    1SOL     H6    6  -0.143971   0.038278   0.384527
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/588/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.056526  -0.019181  -0.074828
+    0SOL     H3    3   0.059383   0.034356   0.066751
+    1SOL     O4    4  -0.104011   0.262182  -0.165569
+    1SOL     H5    5  -0.084794   0.352749  -0.189876
+    1SOL     H6    6  -0.035641   0.210780  -0.208531
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/589/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.039602  -0.086677   0.009006
+    0SOL     H3    3   0.074129  -0.013500  -0.059034
+    1SOL     O4    4   0.066106   0.305481   0.080124
+    1SOL     H5    5   0.128636   0.236032   0.100840
+    1SOL     H6    6  -0.019685   0.265868   0.095389
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/590/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.022741  -0.037814   0.084943
+    0SOL     H3    3   0.095561  -0.004341  -0.003392
+    1SOL     O4    4  -0.168673   0.044839   0.243934
+    1SOL     H5    5  -0.163435  -0.007957   0.323605
+    1SOL     H6    6  -0.111115   0.119446   0.260757
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/591/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.078955   0.051062   0.017921
+    0SOL     H3    3   0.023704  -0.038022   0.084586
+    1SOL     O4    4   0.256967  -0.079324   0.174165
+    1SOL     H5    5   0.278269  -0.128775   0.253305
+    1SOL     H6    6   0.200333  -0.008442   0.204674
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/592/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.032467   0.076877   0.046885
+    0SOL     H3    3   0.073816  -0.060938  -0.000192
+    1SOL     O4    4  -0.233033  -0.181312   0.017509
+    1SOL     H5    5  -0.204882  -0.132516  -0.059878
+    1SOL     H6    6  -0.208405  -0.125554   0.091311
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/593/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.003320   0.031835  -0.090210
+    0SOL     H3    3   0.004788  -0.095237  -0.008321
+    1SOL     O4    4   0.244709   0.050975   0.069122
+    1SOL     H5    5   0.295366  -0.019844   0.029362
+    1SOL     H6    6   0.156562   0.040463   0.033316
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/594/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.071874  -0.021490  -0.059453
+    0SOL     H3    3   0.078100  -0.034416  -0.043338
+    1SOL     O4    4   0.226981  -0.058513  -0.103017
+    1SOL     H5    5   0.223440   0.013883  -0.165536
+    1SOL     H6    6   0.225314  -0.137276  -0.157385
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/595/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.020699   0.093349   0.004454
+    0SOL     H3    3  -0.009063  -0.030919   0.090134
+    1SOL     O4    4   0.239177  -0.094043   0.008111
+    1SOL     H5    5   0.167834  -0.030232   0.007389
+    1SOL     H6    6   0.316698  -0.043105   0.031735
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/596/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.090913   0.003476   0.029750
+    0SOL     H3    3   0.043832   0.069876   0.048565
+    1SOL     O4    4  -0.227949  -0.090406  -0.165745
+    1SOL     H5    5  -0.261619  -0.065845  -0.079574
+    1SOL     H6    6  -0.226533  -0.186109  -0.164573
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/597/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2   0.088187   0.023666   0.028728
+    0SOL     H3    3   0.008654  -0.089512  -0.032788
+    1SOL     O4    4  -0.165692   0.231785  -0.034221
+    1SOL     H5    5  -0.071001   0.217905  -0.032440
+    1SOL     H6    6  -0.198542   0.165396  -0.094848
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/598/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.010269  -0.077998   0.054527
+    0SOL     H3    3   0.073575  -0.020555  -0.057676
+    1SOL     O4    4   0.147093  -0.096297  -0.236753
+    1SOL     H5    5   0.155131  -0.069641  -0.328335
+    1SOL     H6    6   0.237362  -0.102198  -0.205464
+  3.000000   3.000000   3.000000
+Generated by ForceBalance from calcs/cluster-02/IceVII/VII/599/qchem.out: Frame 1 of 1
+    6
+    0SOL     O1    1   0.000000   0.000000   0.000000
+    0SOL     H2    2  -0.024371   0.003230  -0.092509
+    0SOL     H3    3  -0.014004   0.089248   0.031638
+    1SOL     O4    4   0.152190  -0.018174  -0.275311
+    1SOL     H5    5   0.163464  -0.059596  -0.189757
+    1SOL     H6    6   0.227276  -0.048136  -0.326563
+  3.000000   3.000000   3.000000
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/input.sdf b/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/input.sdf
new file mode 100644
index 000000000..6e873ce0c
--- /dev/null
+++ b/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/input.sdf
@@ -0,0 +1,11 @@
+
+  -OEChem-04012114442D
+
+  3  2  0     0  0  0  0  0  0999 V2000
+    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
+    0.7500    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.3750   -0.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  1  3  1  0  0  0  0
+M  END
+$$$$
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/qdata.txt b/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/qdata.txt
new file mode 100644
index 000000000..2f22aa16b
--- /dev/null
+++ b/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/qdata.txt
@@ -0,0 +1,36000 @@
+JOB 0
+COORDS  3.5216500000e-01 -7.8911000000e-02 -1.1804680000e+00  1.3612400000e-01 -1.0054360000e+00 -1.2858660000e+00 -2.3084000000e-01  3.7425000000e-01 -1.7895500000e+00 -2.5011700000e-01  1.2282500000e-01  1.2734860000e+00 -1.6090600000e-01 -6.8114000000e-02  3.3977500000e-01 -1.1927470000e+00  8.8939000000e-02  1.4363760000e+00
+ENERGY -1.526531302629e+02
+FORCES -4.5584000000e-03  2.8331000000e-03  1.0695200000e-02 -1.7058000000e-03  7.4662000000e-03  5.6202000000e-03  2.3209000000e-03 -3.8125000000e-03  4.3021000000e-03  5.6422000000e-03  3.1000000000e-06 -2.3512700000e-02 -4.5328000000e-03 -6.2378000000e-03  6.9465000000e-03  2.8339000000e-03 -2.5210000000e-04 -4.0514000000e-03
+
+JOB 1
+COORDS -6.8329000000e-01  9.7053200000e-01  3.7448700000e-01 -1.4703220000e+00  7.3895000000e-01 -1.1864800000e-01 -1.0012950000e+00  1.1665760000e+00  1.2557770000e+00  8.1188800000e-01 -9.5895400000e-01 -4.3931200000e-01  4.4696000000e-01 -1.7720490000e+00 -9.0119000000e-02  2.2548500000e-01 -2.7467100000e-01 -1.1663300000e-01
+ENERGY -1.526559628751e+02
+FORCES  6.0634000000e-03 -9.1897000000e-03 -8.2310000000e-04  6.3519000000e-03 -1.7801000000e-03  3.8187000000e-03 -6.5600000000e-05 -1.2865000000e-03 -5.5128000000e-03 -1.1486000000e-02  1.5615500000e-02  9.5280000000e-03 -7.6370000000e-04  3.5825000000e-03 -2.6770000000e-04 -1.0010000000e-04 -6.9418000000e-03 -6.7431000000e-03
+
+JOB 2
+COORDS  2.2498900000e-01 -1.2400430000e+00  1.5191700000e-01  4.8805000000e-02 -1.9013490000e+00  8.2114400000e-01 -6.7522000000e-02 -1.6423530000e+00 -6.6589400000e-01 -2.5241300000e-01  1.3361600000e+00 -1.0805400000e-01 -3.7922000000e-02  4.0382100000e-01 -7.6917000000e-02  4.2237100000e-01  1.7190630000e+00 -6.6866400000e-01
+ENERGY -1.526585233898e+02
+FORCES -3.9958000000e-03  7.1673000000e-03  2.1209000000e-03  8.4110000000e-04  1.2867000000e-03 -5.1036000000e-03  1.4961000000e-03  3.3770000000e-03  4.6494000000e-03  4.7098000000e-03 -1.5757400000e-02  3.2242000000e-03 -1.4332000000e-03  7.0594000000e-03 -5.9418000000e-03 -1.6180000000e-03 -3.1331000000e-03  1.0510000000e-03
+
+JOB 3
+COORDS  5.4421800000e-01 -1.2553130000e+00  8.8419000000e-02  2.7167700000e-01 -3.3817000000e-01  6.0110000000e-02  1.2009290000e+00 -1.2891610000e+00  7.8398900000e-01 -5.7240000000e-01  1.1364590000e+00 -1.5238300000e-01 -9.0526700000e-01  1.4770440000e+00  6.7793800000e-01 -1.3963800000e-01  1.8851980000e+00 -5.6267300000e-01
+ENERGY -1.526591375278e+02
+FORCES -5.9708000000e-03  1.5395500000e-02 -1.2981000000e-03  5.0274000000e-03 -8.6922000000e-03  2.7170000000e-03 -2.6534000000e-03  2.2454000000e-03 -1.6577000000e-03  2.5214000000e-03 -3.5902000000e-03  1.2333000000e-03  3.3591000000e-03 -1.5926000000e-03 -4.4384000000e-03 -2.2836000000e-03 -3.7659000000e-03  3.4439000000e-03
+
+JOB 4
+COORDS  5.7161800000e-01 -9.6598200000e-01  8.1667700000e-01  9.9028000000e-02 -2.4906300000e-01  3.9369100000e-01  1.4502750000e+00 -9.3024200000e-01  4.3863600000e-01 -5.8690800000e-01  8.7480300000e-01 -7.2013500000e-01 -4.7637800000e-01  7.6625000000e-01 -1.6647140000e+00 -8.3205900000e-01  1.7936460000e+00 -6.1122200000e-01
+ENERGY -1.526592048686e+02
+FORCES -5.0294000000e-03  1.2398000000e-02 -9.9033000000e-03  2.7722000000e-03 -5.3012000000e-03  4.7156000000e-03 -2.3452000000e-03 -1.8940000000e-04  2.0330000000e-04  3.6095000000e-03 -4.8244000000e-03  2.5716000000e-03 -4.3080000000e-04  2.4659000000e-03  4.5500000000e-03  1.4237000000e-03 -4.5489000000e-03 -2.1372000000e-03
+
+JOB 5
+COORDS -1.2519220000e+00  2.9806100000e-01  1.2407700000e-01 -1.7774660000e+00 -3.1721900000e-01  6.3541300000e-01 -1.6386140000e+00  1.1542270000e+00  3.0760000000e-01  1.3412990000e+00 -2.6605100000e-01 -1.2939600000e-01  1.5929860000e+00 -9.9805000000e-01 -6.9248000000e-01  3.8505000000e-01 -3.0044700000e-01 -1.0414600000e-01
+ENERGY -1.526589644775e+02
+FORCES  6.1265000000e-03  3.0777000000e-03  1.4675000000e-03  3.5697000000e-03  2.9068000000e-03 -2.7914000000e-03 -6.3560000000e-04 -5.0797000000e-03 -2.5900000000e-05 -1.3435800000e-02  3.3336000000e-03 -4.0000000000e-06 -3.1784000000e-03  1.9018000000e-03  1.9073000000e-03  7.5536000000e-03 -6.1403000000e-03 -5.5360000000e-04
+
+JOB 6
+COORDS  9.4080600000e-01 -1.2910000000e-02  1.0149850000e+00  1.8624460000e+00  3.3795000000e-02  7.6075800000e-01  4.6356000000e-01 -2.9346000000e-02  1.8540800000e-01 -9.2695400000e-01 -4.2725000000e-02 -9.4398900000e-01 -1.7393910000e+00  2.0776300000e-01 -5.0417800000e-01 -7.7022600000e-01  6.5865000000e-01 -1.5762390000e+00
+ENERGY -1.526600696682e+02
+FORCES -8.6859000000e-03 -1.4874000000e-03 -1.0990200000e-02 -3.8729000000e-03  3.1860000000e-04 -1.5272000000e-03  9.0875000000e-03  2.1028000000e-03  6.5977000000e-03 -1.1891000000e-03  3.1893000000e-03  4.9992000000e-03  4.0382000000e-03 -6.4660000000e-04 -3.6094000000e-03  6.2220000000e-04 -3.4767000000e-03  4.5300000000e-03
+
+JOB 7
+COORDS -2.1701100000e-01  6.2226700000e-01 -1.1152950000e+00 -9.9029600000e-01  6.0993900000e-01 -1.6793080000e+00  2.0301000000e-01  1.4618330000e+00 -1.3022250000e+00  2.0956200000e-01 -6.8016800000e-01  1.2221690000e+00 -1.2498000000e-01 -2.1727700000e-01  4.5402400000e-01  1.0515240000e+00 -1.0370950000e+00  9.3944400000e-01
+ENERGY -1.526602654351e+02
+FORCES  6.5390000000e-04  2.1520000000e-04  3.8382000000e-03  4.2812000000e-03  1.0164000000e-03  2.8041000000e-03 -2.7503000000e-03 -4.3081000000e-03 -5.8580000000e-04 -2.4710000000e-04  6.0331000000e-03 -1.4410500000e-02 -3.1300000000e-04 -3.9877000000e-03  7.0912000000e-03 -1.6247000000e-03  1.0312000000e-03  1.2628000000e-03
+
+JOB 8
+COORDS  4.7374800000e-01  9.2287200000e-01 -7.8869200000e-01 -2.8776900000e-01  1.1715470000e+00 -1.3126050000e+00  1.2208080000e+00  1.2881660000e+00 -1.2627100000e+00 -4.6887700000e-01 -1.0247650000e+00  8.3546400000e-01 -8.7998900000e-01 -5.4689800000e-01  1.5557840000e+00 -1.1122800000e-01 -3.4208300000e-01  2.6778100000e-01
+ENERGY -1.526598941771e+02
+FORCES  3.4890000000e-04 -3.8972000000e-03  1.0450000000e-03  4.3281000000e-03 -1.4662000000e-03  3.2820000000e-03 -5.0488000000e-03 -2.1380000000e-04  7.9700000000e-04  6.2528000000e-03  1.0725100000e-02 -5.7958000000e-03  9.5160000000e-04 -5.7360000000e-04 -2.7674000000e-03 -6.8325000000e-03 -4.5743000000e-03  3.4393000000e-03
+
+JOB 9
+COORDS  3.4308700000e-01  5.5463100000e-01  1.2526750000e+00  9.2537900000e-01 -1.3034200000e-01  1.5812770000e+00 -1.9486000000e-02  1.9367200000e-01  4.4367500000e-01 -3.8574000000e-01 -4.7688000000e-01 -1.1650870000e+00 -1.9404000000e-02 -1.2992390000e+00 -1.4902870000e+00 -2.3381500000e-01  1.4985700000e-01 -1.8724420000e+00
+ENERGY -1.526600117336e+02
+FORCES -2.8625000000e-03 -8.2529000000e-03 -1.2696500000e-02 -1.5038000000e-03  1.3546000000e-03 -1.3246000000e-03  1.8647000000e-03  4.9256000000e-03  7.8666000000e-03  4.3317000000e-03  1.5440000000e-03  1.9145000000e-03 -1.3611000000e-03  4.5275000000e-03  8.6990000000e-04 -4.6910000000e-04 -4.0988000000e-03  3.3701000000e-03
+
+JOB 10
+COORDS  3.3204500000e-01 -4.2317000000e-01  1.2166950000e+00  3.0110100000e-01 -1.3790570000e+00  1.1772690000e+00 -3.8315400000e-01 -1.8401600000e-01  1.8062100000e+00 -2.3709400000e-01  4.7889500000e-01 -1.2830130000e+00 -2.9812900000e-01  1.7835800000e-01 -3.7626900000e-01 -1.1459090000e+00  5.4054200000e-01 -1.5770970000e+00
+ENERGY -1.526584725552e+02
+FORCES  2.9300000000e-05 -2.4911000000e-03 -3.4110000000e-04 -1.2332000000e-03  5.8313000000e-03 -8.1400000000e-05  2.4494000000e-03 -1.1138000000e-03 -6.3362000000e-03  2.4346000000e-03 -4.0313000000e-03  1.2473100000e-02 -6.3752000000e-03  2.9250000000e-03 -9.2560000000e-03  2.6950000000e-03 -1.1201000000e-03  3.5416000000e-03
+
+JOB 11
+COORDS -6.8773000000e-02  1.0316150000e+00 -8.5040200000e-01 -3.4376800000e-01  3.7294300000e-01 -1.4881810000e+00  4.7656000000e-01  1.6379710000e+00 -1.3515770000e+00  9.8788000000e-02 -1.0592040000e+00  9.5243200000e-01 -8.4734100000e-01 -1.1880600000e+00  8.8558400000e-01  2.9591600000e-01 -3.8601400000e-01  3.0113500000e-01
+ENERGY -1.526579653737e+02
+FORCES  1.0628000000e-03 -3.1080000000e-04 -1.9071000000e-03  2.7690000000e-03  1.6733000000e-03  6.5097000000e-03 -3.2900000000e-03 -3.5956000000e-03  1.8224000000e-03 -2.5932000000e-03  1.1703800000e-02 -5.9245000000e-03  2.8356000000e-03 -2.9420000000e-04 -1.0490000000e-03 -7.8420000000e-04 -9.1766000000e-03  5.4850000000e-04
+
+JOB 12
+COORDS -7.7771000000e-02 -1.0123790000e+00  8.4847600000e-01 -1.1018000000e-01 -1.7305010000e+00  2.1643000000e-01 -5.6383400000e-01 -1.3375240000e+00  1.6062720000e+00  5.9301000000e-02  1.1183600000e+00 -8.6282500000e-01 -1.6996000000e-02  2.9380300000e-01 -3.8270300000e-01  9.5157500000e-01  1.1126440000e+00 -1.2093010000e+00
+ENERGY -1.526583148829e+02
+FORCES -3.0850000000e-03  2.1059000000e-03  8.4300000000e-04  1.6940000000e-04  6.5605000000e-03  1.8725000000e-03  2.9791000000e-03 -5.6470000000e-04 -4.0400000000e-03  1.3278000000e-03 -8.4676000000e-03  9.5404000000e-03  1.3957000000e-03  1.6917000000e-03 -9.4365000000e-03 -2.7870000000e-03 -1.3258000000e-03  1.2206000000e-03
+
+JOB 13
+COORDS  4.1370100000e-01 -6.4393800000e-01  1.1704050000e+00  9.6125500000e-01 -1.4261480000e+00  1.1028440000e+00  4.3677700000e-01 -2.5846100000e-01  2.9455800000e-01 -4.1248300000e-01  6.0935600000e-01 -1.1183800000e+00 -6.8171000000e-02  1.5023630000e+00 -1.1331590000e+00 -1.3622200000e+00  7.1907700000e-01 -1.0715570000e+00
+ENERGY -1.526603787012e+02
+FORCES -2.8536000000e-03  3.8261000000e-03 -1.1283200000e-02 -1.9200000000e-03  2.9528000000e-03 -1.5027000000e-03  5.9005000000e-03 -3.2201000000e-03  8.3638000000e-03 -4.4363000000e-03  4.8430000000e-04  4.8577000000e-03 -1.3205000000e-03 -5.1234000000e-03  1.2750000000e-03  4.6300000000e-03  1.0803000000e-03 -1.7106000000e-03
+
+JOB 14
+COORDS  6.9619400000e-01 -3.0654600000e-01  1.0893390000e+00  5.3722800000e-01 -1.2497600000e+00  1.0531540000e+00  1.6311810000e+00 -2.2784100000e-01  1.2786470000e+00 -8.1030200000e-01  3.7264900000e-01 -1.1102160000e+00 -8.0885000000e-02  4.4364400000e-01 -1.7259610000e+00 -4.0691500000e-01  7.9802000000e-02 -2.9305500000e-01
+ENERGY -1.526584415635e+02
+FORCES  2.0592000000e-03  6.1920000000e-04 -3.1183000000e-03  5.5600000000e-05  6.4520000000e-03 -2.2848000000e-03 -4.4207000000e-03 -2.0022000000e-03 -5.1720000000e-04  1.1093300000e-02 -1.0387000000e-03  9.8031000000e-03 -1.9937000000e-03 -3.0760000000e-04  1.1354000000e-03 -6.7938000000e-03 -3.7227000000e-03 -5.0181000000e-03
+
+JOB 15
+COORDS  5.0391100000e-01  1.2832560000e+00  4.0288500000e-01 -1.1304800000e-01  6.0653800000e-01  1.2423200000e-01  1.3642950000e+00  9.3396100000e-01  1.7058400000e-01 -5.6577300000e-01 -1.1650000000e+00 -3.7261600000e-01 -1.2087100000e-01 -1.5516570000e+00  3.8156500000e-01 -2.3676900000e-01 -1.6581690000e+00 -1.1241300000e+00
+ENERGY -1.526587966808e+02
+FORCES -3.4365000000e-03 -1.1846400000e-02 -6.9924000000e-03  2.6869000000e-03  5.9715000000e-03  5.7641000000e-03 -1.6264000000e-03  7.3390000000e-04  1.4339000000e-03  4.1840000000e-03 -3.8260000000e-04 -1.3840000000e-04 -1.2045000000e-03  3.7256000000e-03 -4.6831000000e-03 -6.0350000000e-04  1.7981000000e-03  4.6157000000e-03
+
+JOB 16
+COORDS  7.0417300000e-01 -8.2636400000e-01 -9.1075400000e-01  2.6263100000e-01 -6.7554000000e-01 -1.7465320000e+00  2.4791400000e-01 -2.5614400000e-01 -2.9195800000e-01 -6.4619800000e-01  7.1902200000e-01  9.0267300000e-01 -6.7463200000e-01  1.1165020000e+00  1.7729790000e+00 -7.4956900000e-01  1.4548640000e+00  2.9928000000e-01
+ENERGY -1.526579127815e+02
+FORCES -6.9011000000e-03  5.1057000000e-03  8.3415000000e-03  6.6390000000e-04  1.3642000000e-03  3.4822000000e-03  2.1339000000e-03 -5.0800000000e-05 -9.4832000000e-03  3.1900000000e-03 -1.1380000000e-04  9.4160000000e-04 -1.1774000000e-03 -1.6680000000e-04 -4.9060000000e-03  2.0907000000e-03 -6.1385000000e-03  1.6239000000e-03
+
+JOB 17
+COORDS  3.2647200000e-01 -6.5122000000e-01  1.1413760000e+00 -3.1401100000e-01 -2.3969800000e-01  1.7216010000e+00  1.1741570000e+00 -3.4627500000e-01  1.4649060000e+00 -3.3566400000e-01  6.8271200000e-01 -1.1797810000e+00 -5.2813800000e-01  2.6565600000e-01 -2.0195730000e+00 -2.1264500000e-01 -4.6651000000e-02 -5.7222300000e-01
+ENERGY -1.526611479680e+02
+FORCES  1.5699000000e-03  6.2838000000e-03  6.4230000000e-04  3.4031000000e-03 -2.0669000000e-03 -3.2783000000e-03 -4.3691000000e-03 -1.6949000000e-03 -2.0120000000e-04  2.9229000000e-03 -7.0921000000e-03  7.7285000000e-03  1.1189000000e-03 -2.0200000000e-04  3.9542000000e-03 -4.6457000000e-03  4.7721000000e-03 -8.8455000000e-03
+
+JOB 18
+COORDS  4.8034700000e-01  6.3773600000e-01  1.1604970000e+00 -5.4327000000e-02  3.5829100000e-01  4.1735100000e-01  5.3281400000e-01  1.5895700000e+00  1.0739420000e+00 -4.2206700000e-01 -6.1587700000e-01 -1.1178680000e+00 -1.3671970000e+00 -7.5383900000e-01 -1.0552070000e+00 -5.2141000000e-02 -1.4982290000e+00 -1.1468910000e+00
+ENERGY -1.526599151358e+02
+FORCES -3.4021000000e-03 -3.6991000000e-03 -1.2004800000e-02 -5.1030000000e-04  5.2207000000e-03  9.4183000000e-03 -1.0136000000e-03 -3.1946000000e-03 -8.6330000000e-04  2.6315000000e-03 -4.2783000000e-03  2.2212000000e-03  5.6604000000e-03  1.9328000000e-03  1.9520000000e-03 -3.3658000000e-03  4.0185000000e-03 -7.2340000000e-04
+
+JOB 19
+COORDS  5.1815000000e-01 -1.1956100000e+00 -5.7229600000e-01  9.4466300000e-01 -8.8332700000e-01 -1.3702930000e+00  5.9933000000e-02 -4.2846900000e-01 -2.2913100000e-01 -5.1844700000e-01  1.0627710000e+00  5.7649000000e-01 -6.5640100000e-01  1.4090300000e+00  1.4581390000e+00 -3.3662100000e-01  1.8351000000e+00  4.1065000000e-02
+ENERGY -1.526592193715e+02
+FORCES -4.2781000000e-03  1.1310300000e-02  4.9888000000e-03 -1.6823000000e-03  5.4200000000e-04  2.5749000000e-03  3.0310000000e-03 -5.8819000000e-03 -6.3727000000e-03  2.8816000000e-03 -2.3319000000e-03  1.1143000000e-03  4.7940000000e-04  6.3440000000e-04 -4.9059000000e-03 -4.3160000000e-04 -4.2729000000e-03  2.6007000000e-03
+
+JOB 20
+COORDS -4.8368000000e-02  1.3530500000e+00 -3.7879400000e-01  2.4319200000e-01  4.7496700000e-01 -1.3344800000e-01  7.3113800000e-01  1.9002510000e+00 -2.8301500000e-01  3.0129000000e-02 -1.2858230000e+00  3.3033100000e-01 -6.4386600000e-01 -1.8133840000e+00 -9.8204000000e-02  2.1800000000e-03 -1.5594280000e+00  1.2471680000e+00
+ENERGY -1.526608443932e+02
+FORCES  1.8850000000e-03 -1.1274500000e-02  3.0308000000e-03  1.3462000000e-03  1.0105000000e-02 -2.6276000000e-03 -1.8305000000e-03 -3.3754000000e-03  7.8840000000e-04 -4.5724000000e-03  2.7285000000e-03 -2.1800000000e-05  3.3257000000e-03  1.2667000000e-03  3.3950000000e-03 -1.5400000000e-04  5.4970000000e-04 -4.5649000000e-03
+
+JOB 21
+COORDS -1.0414900000e-01  8.3721100000e-01 -1.0593930000e+00 -7.7283500000e-01  3.2006000000e-01 -1.5084430000e+00 -5.0977100000e-01  1.6947150000e+00 -9.3136800000e-01  1.1358200000e-01 -8.6391600000e-01  1.1208900000e+00  1.6365900000e-01 -3.1953200000e-01  3.3516100000e-01  9.6138500000e-01 -1.3065000000e+00  1.1606430000e+00
+ENERGY -1.526613473896e+02
+FORCES -4.0997000000e-03  1.4004000000e-03  2.1387000000e-03  3.9924000000e-03  2.2456000000e-03  4.0476000000e-03  1.2719000000e-03 -4.4353000000e-03 -1.9193000000e-03  2.0581000000e-03  8.1099000000e-03 -9.2233000000e-03 -7.8450000000e-04 -9.2702000000e-03  6.2601000000e-03 -2.4382000000e-03  1.9497000000e-03 -1.3038000000e-03
+
+JOB 22
+COORDS  8.9377400000e-01 -4.7596200000e-01 -9.9875000000e-01  3.0500600000e-01 -2.5179100000e-01 -2.7810400000e-01  1.3309630000e+00 -1.2774060000e+00 -7.1102600000e-01 -8.9873800000e-01  5.4718900000e-01  8.8494100000e-01 -4.0180000000e-01  8.0987500000e-01  1.6597190000e+00 -1.1548740000e+00 -3.5838400000e-01  1.0597650000e+00
+ENERGY -1.526571634711e+02
+FORCES -6.6875000000e-03  4.7792000000e-03  8.1388000000e-03  5.2371000000e-03 -9.2925000000e-03 -3.8798000000e-03 -3.0738000000e-03  3.1136000000e-03  1.0003000000e-03  2.7360000000e-04 -3.5100000000e-05  3.5894000000e-03 -2.1884000000e-03 -2.7809000000e-03 -4.7430000000e-03  6.4391000000e-03  4.2156000000e-03 -4.1058000000e-03
+
+JOB 23
+COORDS  5.4827400000e-01 -9.3832600000e-01 -7.9850100000e-01  1.3985020000e+00 -9.4965300000e-01 -3.5893800000e-01  2.8293000000e-01 -1.8574200000e+00 -8.3154000000e-01 -6.4080400000e-01  9.8675800000e-01  8.0475900000e-01 -1.2081500000e-01  1.7805390000e+00  6.7924400000e-01 -1.0009500000e-01  2.8564200000e-01  4.4102400000e-01
+ENERGY -1.526577843032e+02
+FORCES -1.2729000000e-03 -3.0766000000e-03  6.0830000000e-04 -7.1414000000e-03  2.8113000000e-03  2.4040000000e-04  2.4555000000e-03  4.6502000000e-03  1.8270000000e-04  5.1189000000e-03 -7.1672000000e-03 -9.4109000000e-03 -5.1010000000e-04 -3.3766000000e-03  1.7840000000e-04  1.3501000000e-03  6.1590000000e-03  8.2010000000e-03
+
+JOB 24
+COORDS -3.9238700000e-01  1.3659040000e+00  1.5887000000e-02 -9.9854900000e-01  1.5274280000e+00 -7.0710000000e-01 -2.1031300000e-01  4.2724000000e-01 -2.8744000000e-02  3.6913300000e-01 -1.2871490000e+00 -5.4180000000e-03  2.1150100000e-01 -1.9055300000e+00  7.0801700000e-01  1.3157330000e+00 -1.3171590000e+00 -1.4426700000e-01
+ENERGY -1.526618174297e+02
+FORCES  1.5008000000e-03 -1.2718000000e-02 -1.4313000000e-03  1.9180000000e-03 -1.5085000000e-03  1.9115000000e-03 -1.9215000000e-03  1.0430000000e-02 -9.1970000000e-04  1.5856000000e-03  1.7206000000e-03  2.9156000000e-03  2.0156000000e-03  2.4251000000e-03 -3.8141000000e-03 -5.0985000000e-03 -3.4940000000e-04  1.3380000000e-03
+
+JOB 25
+COORDS  7.6782800000e-01 -7.0778800000e-01  8.6150400000e-01  5.2458300000e-01 -9.7883700000e-01  1.7467140000e+00  1.4567490000e+00 -5.5961000000e-02  9.9089500000e-01 -7.6259900000e-01  7.1858200000e-01 -9.7303800000e-01 -3.8892300000e-01  3.5024000000e-02 -4.1684800000e-01 -1.6479790000e+00  8.4743800000e-01 -6.3284700000e-01
+ENERGY -1.526608093074e+02
+FORCES  4.0470000000e-04  4.5056000000e-03  1.6026000000e-03  1.3985000000e-03  2.0740000000e-03 -3.9230000000e-03 -3.5704000000e-03 -4.0055000000e-03  4.0240000000e-04  3.7079000000e-03 -7.2767000000e-03  9.1194000000e-03 -4.8011000000e-03  5.5216000000e-03 -7.0176000000e-03  2.8605000000e-03 -8.1890000000e-04 -1.8390000000e-04
+
+JOB 26
+COORDS -6.8472500000e-01 -1.8799200000e-01 -1.1550300000e+00 -1.4416090000e+00 -7.4629600000e-01 -1.3329440000e+00 -1.0169340000e+00  7.0452700000e-01 -1.2513540000e+00  7.3595500000e-01  1.4635900000e-01  1.2303530000e+00  2.6966300000e-01 -1.0835600000e-01  4.3415900000e-01  1.3829240000e+00  7.8701400000e-01  9.3501500000e-01
+ENERGY -1.526608960045e+02
+FORCES -3.2357000000e-03  1.1982000000e-03  1.6058000000e-03  3.2101000000e-03  3.7567000000e-03  5.1080000000e-04  2.1062000000e-03 -4.8558000000e-03  8.5660000000e-04 -4.0325000000e-03 -1.8856000000e-03 -1.1908200000e-02  4.6587000000e-03  2.9755000000e-03  8.5609000000e-03 -2.7068000000e-03 -1.1890000000e-03  3.7410000000e-04
+
+JOB 27
+COORDS -6.1247300000e-01  5.3213700000e-01 -1.1093820000e+00 -4.3468300000e-01 -2.4915400000e-01 -1.6330300000e+00 -1.0524400000e-01  1.2250300000e+00 -1.5322890000e+00  5.9869800000e-01 -4.9809300000e-01  1.2188380000e+00  7.1748800000e-01 -1.4062860000e+00  9.4080100000e-01  8.0629000000e-02 -9.8943000000e-02  5.1990000000e-01
+ENERGY -1.526596894787e+02
+FORCES  4.3704000000e-03  2.6470000000e-04 -2.7352000000e-03  1.7230000000e-04  3.3663000000e-03  4.7109000000e-03 -2.6881000000e-03 -4.1882000000e-03  1.5255000000e-03 -6.2231000000e-03  3.3149000000e-03 -1.0465900000e-02 -6.1290000000e-04  2.9541000000e-03 -5.4520000000e-04  4.9814000000e-03 -5.7118000000e-03  7.5099000000e-03
+
+JOB 28
+COORDS -3.0740000000e-03  7.5303900000e-01  1.2276010000e+00  9.1764600000e-01  8.8810900000e-01  1.4517930000e+00  1.9416000000e-02  2.4432800000e-01  4.1708300000e-01 -6.7380000000e-02 -7.3646300000e-01 -1.1325830000e+00 -4.4168200000e-01 -1.9500800000e-01 -1.8275330000e+00  6.6212500000e-01 -1.1935440000e+00 -1.5510710000e+00
+ENERGY -1.526609574554e+02
+FORCES  2.4017000000e-03 -7.3692000000e-03 -1.0024200000e-02 -2.3464000000e-03 -8.7750000000e-04 -1.2993000000e-03 -5.8740000000e-04  7.0226000000e-03  7.7658000000e-03  1.3884000000e-03  1.2243000000e-03 -1.3684000000e-03  2.8810000000e-03 -2.8867000000e-03  3.7026000000e-03 -3.7373000000e-03  2.8864000000e-03  1.2234000000e-03
+
+JOB 29
+COORDS  1.3352030000e+00  3.3432000000e-02 -5.1698100000e-01  4.8575800000e-01  2.2278300000e-01 -1.1845600000e-01  1.8584540000e+00  8.1750400000e-01 -3.5063700000e-01 -1.3025810000e+00 -2.5566000000e-02  4.6490600000e-01 -8.2743700000e-01 -5.9557800000e-01  1.0695190000e+00 -2.0341890000e+00 -5.5998700000e-01  1.5607700000e-01
+ENERGY -1.526590652006e+02
+FORCES -8.7579000000e-03  3.5647000000e-03  9.9850000000e-04  9.4379000000e-03 -2.9605000000e-03  3.7862000000e-03 -2.9127000000e-03 -2.4022000000e-03  1.5360000000e-04 -1.0841000000e-03 -5.4001000000e-03 -2.2739000000e-03  4.5790000000e-04  5.2482000000e-03 -5.7834000000e-03  2.8589000000e-03  1.9499000000e-03  3.1190000000e-03
+
+JOB 30
+COORDS -2.7108000000e-02 -1.3953950000e+00  4.4166600000e-01  2.3163700000e-01 -4.8172500000e-01  3.2129200000e-01 -5.6085200000e-01 -1.5969240000e+00 -3.2692700000e-01 -1.0779000000e-02  1.3140750000e+00 -3.8610900000e-01  6.2528700000e-01  1.3841840000e+00 -1.0979630000e+00  3.0728500000e-01  1.9226720000e+00  2.8073200000e-01
+ENERGY -1.526595968421e+02
+FORCES -3.0699000000e-03  1.2336000000e-02 -6.0208000000e-03  3.4904000000e-03 -7.8182000000e-03  3.6548000000e-03  1.9208000000e-03 -8.1810000000e-04  1.7793000000e-03  1.5945000000e-03  2.6576000000e-03 -5.2290000000e-04 -3.1862000000e-03 -1.7372000000e-03  4.5657000000e-03 -7.4970000000e-04 -4.6201000000e-03 -3.4561000000e-03
+
+JOB 31
+COORDS  1.2819400000e-01  1.2823720000e+00 -4.4400300000e-01 -8.2477200000e-01  1.2107470000e+00 -3.8962300000e-01  2.9923100000e-01  2.2240730000e+00 -4.3065200000e-01 -9.1121000000e-02 -1.3941900000e+00  3.9033000000e-01 -1.6290700000e-01 -1.4272350000e+00  1.3442620000e+00  1.5646200000e-01 -4.8947100000e-01  1.9949300000e-01
+ENERGY -1.526598214537e+02
+FORCES -1.3253000000e-03  1.9061000000e-03  9.1700000000e-05  6.5518000000e-03 -7.0330000000e-04  1.5776000000e-03 -2.7160000000e-03 -3.8456000000e-03 -4.3170000000e-04  4.3019000000e-03  8.3998000000e-03  5.1260000000e-04 -2.2250000000e-04  8.4110000000e-04 -3.1640000000e-03 -6.5899000000e-03 -6.5980000000e-03  1.4138000000e-03
+
+JOB 32
+COORDS -1.2332030000e+00 -7.6446000000e-01 -4.5067000000e-02 -1.3077030000e+00 -1.0244660000e+00 -9.6326000000e-01 -4.6893700000e-01 -1.8870200000e-01 -1.9932000000e-02  1.1325880000e+00  7.5520200000e-01  1.3092300000e-01  1.3381220000e+00  1.0529470000e+00 -7.5526800000e-01  1.9355240000e+00  3.3128000000e-01  4.3393400000e-01
+ENERGY -1.526603617862e+02
+FORCES  1.0359200000e-02  6.0849000000e-03 -5.8140000000e-04  1.2828000000e-03  1.5383000000e-03  2.4439000000e-03 -9.2709000000e-03 -4.9718000000e-03 -2.9798000000e-03  3.0111000000e-03 -2.4330000000e-03 -5.1570000000e-04 -2.0486000000e-03 -3.1681000000e-03  4.2165000000e-03 -3.3336000000e-03  2.9497000000e-03 -2.5834000000e-03
+
+JOB 33
+COORDS  9.7902200000e-01 -8.4864200000e-01 -6.7710300000e-01  3.2359000000e-01 -5.6702300000e-01 -3.8878000000e-02  4.6894700000e-01 -1.2190920000e+00 -1.3973960000e+00 -9.2232400000e-01  7.9664400000e-01  7.1350700000e-01 -3.2615200000e-01  1.4685010000e+00  1.0442910000e+00 -1.2197900000e+00  1.1345780000e+00 -1.3120900000e-01
+ENERGY -1.526602136396e+02
+FORCES -9.1466000000e-03  3.1406000000e-03  4.9540000000e-03  6.9747000000e-03 -4.5502000000e-03 -5.8163000000e-03  9.6420000000e-04  2.3180000000e-03  2.2125000000e-03  2.5123000000e-03  5.7352000000e-03 -3.3229000000e-03 -3.0297000000e-03 -3.7606000000e-03 -1.8893000000e-03  1.7251000000e-03 -2.8831000000e-03  3.8620000000e-03
+
+JOB 34
+COORDS  7.2281400000e-01  6.5688000000e-01  9.7454800000e-01  1.2330230000e+00  1.3619230000e+00  5.7600800000e-01  1.9675400000e-01  1.0912780000e+00  1.6459580000e+00 -7.9052000000e-01 -7.2180400000e-01 -9.9257500000e-01 -1.8844500000e-01 -1.0650800000e+00 -1.6528020000e+00 -2.2178100000e-01 -4.0277900000e-01 -2.9186800000e-01
+ENERGY -1.526614304811e+02
+FORCES -2.1083000000e-03  4.3417000000e-03 -5.9010000000e-04 -2.4620000000e-03 -3.3722000000e-03  2.2835000000e-03  3.2317000000e-03 -1.4029000000e-03 -3.4435000000e-03  7.8488000000e-03  3.9267000000e-03  7.0602000000e-03 -1.0490000000e-03  1.9155000000e-03  2.2805000000e-03 -5.4613000000e-03 -5.4087000000e-03 -7.5906000000e-03
+
+JOB 35
+COORDS -8.9092100000e-01 -1.0158630000e+00 -5.0669900000e-01 -8.0493500000e-01 -1.9360960000e+00 -2.5768100000e-01 -1.5373500000e-01 -5.8129600000e-01 -7.7816000000e-02  8.7009100000e-01  9.9719800000e-01  4.4169300000e-01  3.6919000000e-01  1.0468580000e+00  1.2558570000e+00  8.6977400000e-01  1.8931150000e+00  1.0470100000e-01
+ENERGY -1.526596344976e+02
+FORCES  7.4385000000e-03  4.4158000000e-03  1.5429000000e-03  8.1420000000e-04  4.0362000000e-03  2.5670000000e-04 -7.1670000000e-03 -7.5146000000e-03  1.8629000000e-03 -3.5219000000e-03  4.8931000000e-03 -1.7177000000e-03  1.9726000000e-03 -2.6050000000e-03 -5.2014000000e-03  4.6350000000e-04 -3.2255000000e-03  3.2566000000e-03
+
+JOB 36
+COORDS  2.6378000000e-01  5.0404900000e-01 -1.3485430000e+00  9.3811800000e-01  1.1787620000e+00 -1.2694120000e+00  6.9309000000e-02  2.5207400000e-01 -4.4581300000e-01 -2.6594000000e-01 -4.9655700000e-01  1.2309000000e+00  2.1690700000e-01 -1.1087920000e+00  1.7861100000e+00 -1.1300690000e+00 -4.3383900000e-01  1.6378160000e+00
+ENERGY -1.526614317893e+02
+FORCES -1.9110000000e-04 -2.3921000000e-03  1.0636600000e-02 -1.8006000000e-03 -2.2440000000e-03  3.5540000000e-04  7.4480000000e-04  4.5447000000e-03 -8.5393000000e-03  1.1650000000e-04 -1.9443000000e-03 -2.2530000000e-04 -3.5069000000e-03  2.9635000000e-03 -1.0679000000e-03  4.6372000000e-03 -9.2790000000e-04 -1.1595000000e-03
+
+JOB 37
+COORDS -6.5725300000e-01 -1.2213090000e+00  3.2091200000e-01  5.5050000000e-03 -1.3242220000e+00  1.0038420000e+00 -2.9727500000e-01 -1.6856270000e+00 -4.3477100000e-01  6.2547700000e-01  1.2826870000e+00 -3.6822300000e-01  8.1396800000e-01  1.4418950000e+00  5.5663100000e-01  3.5622000000e-02  5.2883000000e-01 -3.6661600000e-01
+ENERGY -1.526587945326e+02
+FORCES  5.0691000000e-03 -3.7688000000e-03  1.0535000000e-03 -3.1564000000e-03  2.2066000000e-03 -3.7271000000e-03 -1.5440000000e-03  4.9971000000e-03  3.5921000000e-03 -7.1116000000e-03 -7.9727000000e-03  5.8665000000e-03  4.0970000000e-04 -9.8910000000e-04 -2.5607000000e-03  6.3331000000e-03  5.5269000000e-03 -4.2244000000e-03
+
+JOB 38
+COORDS  1.4494000000e-01  2.0315000000e-02 -1.3613040000e+00 -5.3562200000e-01 -6.1144100000e-01 -1.5935790000e+00  5.6672100000e-01  2.3542600000e-01 -2.1932060000e+00 -1.4925500000e-01  5.9470000000e-02  1.4452580000e+00 -4.3718000000e-01 -8.1952600000e-01  1.6916250000e+00  4.9189000000e-01 -8.4298000000e-02  7.4920000000e-01
+ENERGY -1.526571371290e+02
+FORCES -3.8745000000e-03 -8.3640000000e-04 -1.9852000000e-03  4.0963000000e-03  2.0676000000e-03  4.3200000000e-04 -2.3975000000e-03 -9.9010000000e-04  4.0612000000e-03  2.5810000000e-03 -2.1578000000e-03 -8.4634000000e-03  3.2130000000e-04  2.8745000000e-03 -1.8960000000e-03 -7.2650000000e-04 -9.5780000000e-04  7.8514000000e-03
+
+JOB 39
+COORDS -3.5980000000e-03  5.9757100000e-01  1.3331670000e+00  2.0804500000e-01  3.1847600000e-01  4.4235500000e-01  7.6779300000e-01  3.6134600000e-01  1.8483210000e+00 -1.9705000000e-02 -5.0959600000e-01 -1.3186780000e+00 -9.6923600000e-01 -5.9222200000e-01 -1.2303850000e+00  3.0318700000e-01 -1.4102590000e+00 -1.2907890000e+00
+ENERGY -1.526611854746e+02
+FORCES  3.7193000000e-03 -3.5018000000e-03 -8.9760000000e-03 -1.7526000000e-03  3.0809000000e-03  1.0486900000e-02 -2.2135000000e-03 -1.2720000000e-04 -2.5122000000e-03 -4.1538000000e-03 -4.6518000000e-03  5.1400000000e-05  5.8976000000e-03  4.9060000000e-04  2.5690000000e-04 -1.4970000000e-03  4.7093000000e-03  6.9300000000e-04
+
+JOB 40
+COORDS  1.0373610000e+00 -9.0197300000e-01 -3.0647500000e-01  1.7952730000e+00 -8.4287800000e-01  2.7516700000e-01  5.1000200000e-01 -1.6128150000e+00  5.7981000000e-02 -1.0525480000e+00  9.9766900000e-01  2.1593400000e-01 -3.9319900000e-01  3.0655400000e-01  1.5387800000e-01 -1.6657340000e+00  6.8530900000e-01  8.8126600000e-01
+ENERGY -1.526587116685e+02
+FORCES  3.5772000000e-03 -2.7879000000e-03  2.0748000000e-03 -4.6989000000e-03 -7.6260000000e-04 -2.6586000000e-03  5.7650000000e-04  7.3594000000e-03 -3.9510000000e-04  7.1439000000e-03 -6.5559000000e-03 -1.1854000000e-03 -9.8574000000e-03  3.3988000000e-03  4.4957000000e-03  3.2588000000e-03 -6.5180000000e-04 -2.3313000000e-03
+
+JOB 41
+COORDS -6.9583000000e-02 -9.6027100000e-01  1.1368390000e+00  9.7177000000e-02 -5.8231500000e-01  2.7337400000e-01 -7.7918900000e-01 -4.2919700000e-01  1.4982950000e+00  1.0896300000e-01  8.4669900000e-01 -1.1223880000e+00  7.5958500000e-01  1.4348170000e+00 -7.3893000000e-01 -6.7900300000e-01  1.3834200000e+00 -1.2076720000e+00
+ENERGY -1.526599901654e+02
+FORCES -2.3846000000e-03  7.7483000000e-03 -8.8521000000e-03  1.6683000000e-03 -5.2153000000e-03  7.6597000000e-03  1.8983000000e-03 -1.3547000000e-03 -3.3790000000e-04 -1.1570000000e-03  4.6748000000e-03  1.4243000000e-03 -4.1116000000e-03 -3.6248000000e-03 -1.1931000000e-03  4.0866000000e-03 -2.2283000000e-03  1.2991000000e-03
+
+JOB 42
+COORDS -1.4307500000e+00 -3.6307200000e-01 -2.9725000000e-02 -1.6813750000e+00 -4.0126200000e-01 -9.5274200000e-01 -5.1875600000e-01 -7.2584000000e-02 -4.0501000000e-02  1.3260470000e+00  3.7002300000e-01  8.8370000000e-02  1.9702380000e+00  4.0092100000e-01 -6.1894500000e-01  1.7865410000e+00 -5.1211000000e-02  8.1413800000e-01
+ENERGY -1.526613964658e+02
+FORCES  1.0199900000e-02  3.2553000000e-03 -2.4440000000e-03  1.3621000000e-03  2.3310000000e-04  2.4088000000e-03 -9.8982000000e-03 -2.9112000000e-03  3.8070000000e-04  2.2569000000e-03 -2.3146000000e-03  1.0950000000e-04 -2.4284000000e-03 -4.7830000000e-04  3.8432000000e-03 -1.4923000000e-03  2.2157000000e-03 -4.2981000000e-03
+
+JOB 43
+COORDS -2.0417000000e-01 -7.2720300000e-01  1.2854200000e+00 -1.7367100000e-01 -3.3547500000e-01  4.1257900000e-01  2.9982100000e-01 -1.2741200000e-01  1.8353970000e+00  2.1454800000e-01  6.6658200000e-01 -1.2071760000e+00  2.2267600000e-01  6.8468000000e-02 -1.9544540000e+00 -4.6203200000e-01  1.3089480000e+00 -1.4212750000e+00
+ENERGY -1.526616159004e+02
+FORCES  4.0012000000e-03  7.6511000000e-03 -8.3278000000e-03 -2.9520000000e-03 -6.0013000000e-03  7.7830000000e-03 -1.8090000000e-03 -1.6676000000e-03 -1.0277000000e-03 -1.6950000000e-03  6.7240000000e-04 -3.8469000000e-03 -9.5460000000e-04  3.1426000000e-03  4.3239000000e-03  3.4095000000e-03 -3.7972000000e-03  1.0955000000e-03
+
+JOB 44
+COORDS  5.3132900000e-01  1.0958610000e+00 -8.7337600000e-01  8.7396900000e-01  1.4422180000e+00 -4.9443000000e-02 -7.5056000000e-02  4.0396600000e-01 -6.0915800000e-01 -4.6341700000e-01 -1.0462510000e+00  7.8001700000e-01 -1.2769710000e+00 -1.3836020000e+00  4.0510800000e-01 -5.4039900000e-01 -1.2218650000e+00  1.7178150000e+00
+ENERGY -1.526578059967e+02
+FORCES -1.8856000000e-03 -7.2570000000e-03  1.0211600000e-02  4.4000000000e-05  9.7510000000e-04 -2.8643000000e-03 -1.4887000000e-03  3.2399000000e-03 -6.6714000000e-03 -1.2246000000e-03 -8.5410000000e-04  2.9621000000e-03  4.5808000000e-03  3.6299000000e-03  8.2660000000e-04 -2.5900000000e-05  2.6630000000e-04 -4.4647000000e-03
+
+JOB 45
+COORDS  1.0701290000e+00 -5.8644800000e-01 -6.8487000000e-01  9.0233200000e-01 -1.5273810000e+00 -7.3702700000e-01  1.9368180000e+00 -5.1907800000e-01 -2.8419200000e-01 -1.1055980000e+00  6.7966300000e-01  7.2440800000e-01 -1.8680050000e+00  5.3266500000e-01  1.6462400000e-01 -4.0481500000e-01  1.7364800000e-01  3.1320900000e-01
+ENERGY -1.526611800640e+02
+FORCES  4.0380000000e-03 -2.1162000000e-03  1.0593000000e-03 -5.4100000000e-05  5.4140000000e-03  1.0856000000e-03 -4.5254000000e-03 -1.2957000000e-03 -2.1271000000e-03  6.7030000000e-03 -4.2849000000e-03 -7.6838000000e-03  2.4934000000e-03 -3.5560000000e-04  1.5515000000e-03 -8.6550000000e-03  2.6384000000e-03  6.1145000000e-03
+
+JOB 46
+COORDS  3.3769300000e-01  1.0287920000e+00 -1.0422400000e+00  9.9487000000e-02  1.6710800000e+00 -3.7369300000e-01  1.2444000000e-02  1.9561100000e-01 -7.0127700000e-01 -3.5639200000e-01 -9.8858900000e-01  9.4862900000e-01  1.4662200000e-01 -6.0508800000e-01  1.6670560000e+00  4.4420000000e-03 -1.8692520000e+00  8.4634300000e-01
+ENERGY -1.526597922327e+02
+FORCES -4.9863000000e-03 -5.9141000000e-03  8.7533000000e-03  1.6763000000e-03 -1.1102000000e-03 -1.7098000000e-03  2.9711000000e-03  4.8360000000e-03 -6.8866000000e-03  4.4495000000e-03 -9.6750000000e-04  3.3613000000e-03 -2.7379000000e-03 -1.6630000000e-03 -3.5427000000e-03 -1.3727000000e-03  4.8187000000e-03  2.4600000000e-05
+
+JOB 47
+COORDS -1.3380070000e+00  4.1255200000e-01 -1.9437600000e-01 -1.6475460000e+00  5.9867900000e-01  6.9206300000e-01 -1.5648300000e+00  1.1949480000e+00 -6.9700800000e-01  1.4299500000e+00 -4.6233900000e-01  1.3905300000e-01  1.2656290000e+00 -9.9425500000e-01  9.1770300000e-01  5.8136900000e-01 -7.0510000000e-02 -6.7375000000e-02
+ENERGY -1.526607801365e+02
+FORCES -2.9747000000e-03  3.6732000000e-03  1.2439000000e-03  2.3596000000e-03 -1.0538000000e-03 -4.4498000000e-03  1.2194000000e-03 -3.7923000000e-03  3.1578000000e-03 -1.0974700000e-02  9.7510000000e-04 -3.7000000000e-06  4.2600000000e-04  1.9401000000e-03 -1.7455000000e-03  9.9444000000e-03 -1.7423000000e-03  1.7973000000e-03
+
+JOB 48
+COORDS  8.5114900000e-01  1.0857840000e+00  5.7433400000e-01  3.2510800000e-01  1.5849200000e+00  1.1991360000e+00  2.7058900000e-01  3.8489200000e-01  2.7780200000e-01 -8.2928900000e-01 -1.0429690000e+00 -5.5489200000e-01 -6.5504100000e-01 -8.4569200000e-01 -1.4751920000e+00 -2.7179000000e-01 -1.7965860000e+00 -3.6127300000e-01
+ENERGY -1.526618552456e+02
+FORCES -8.5731000000e-03 -5.6061000000e-03 -1.2647000000e-03  1.4438000000e-03 -1.7510000000e-03 -2.0011000000e-03  8.1909000000e-03  6.7725000000e-03  2.8957000000e-03  1.1740000000e-03 -4.0735000000e-03 -4.5575000000e-03 -6.3500000000e-05 -6.7970000000e-04  5.7063000000e-03 -2.1720000000e-03  5.3378000000e-03 -7.7870000000e-04
+
+JOB 49
+COORDS -4.4159900000e-01  1.2598230000e+00 -4.8973400000e-01 -2.6631900000e-01  2.2001490000e+00 -5.2574200000e-01 -1.3016670000e+00  1.1917250000e+00 -7.5153000000e-02  4.4452400000e-01 -1.3719820000e+00  4.7188200000e-01  1.0266000000e-01 -4.7855900000e-01  5.0587000000e-01  1.3904980000e+00 -1.2634050000e+00  3.7402500000e-01
+ENERGY -1.526581078903e+02
+FORCES -2.4623000000e-03  4.0420000000e-03 -5.5820000000e-04 -1.3494000000e-03 -4.4780000000e-03 -1.9300000000e-04  6.3818000000e-03 -1.1788000000e-03 -2.6200000000e-04  2.1997000000e-03  9.5192000000e-03 -4.1324000000e-03 -2.3025000000e-03 -6.6412000000e-03  4.3262000000e-03 -2.4674000000e-03 -1.2632000000e-03  8.1950000000e-04
+
+JOB 50
+COORDS -3.0946900000e-01 -1.4659700000e+00  8.8342000000e-02 -1.6831600000e-01 -5.6923800000e-01 -2.1527000000e-01 -4.7581000000e-01 -1.9664180000e+00 -7.1047900000e-01  3.2267700000e-01  1.3733280000e+00 -1.9087000000e-02  4.3061000000e-02  1.8457120000e+00 -8.0324300000e-01  4.1128300000e-01  2.0513670000e+00  6.5072200000e-01
+ENERGY -1.526596079544e+02
+FORCES  1.9078000000e-03  7.1850000000e-03 -1.7432000000e-03 -2.8897000000e-03 -9.2537000000e-03 -2.8779000000e-03  6.1620000000e-04  3.0575000000e-03  2.0948000000e-03 -3.1150000000e-04  3.8666000000e-03  3.3260000000e-03  9.1700000000e-04 -3.4745000000e-03  3.5452000000e-03 -2.3970000000e-04 -1.3808000000e-03 -4.3449000000e-03
+
+JOB 51
+COORDS  8.2955100000e-01 -6.8973200000e-01 -9.3621900000e-01  1.1289940000e+00 -1.5359000000e+00 -1.2687330000e+00  3.1817200000e-01 -3.1699900000e-01 -1.6544070000e+00 -8.6422300000e-01  7.1347700000e-01  1.0483510000e+00 -4.2882300000e-01  7.9550000000e-03  5.6991800000e-01 -4.9429300000e-01  1.5163400000e+00  6.8120600000e-01
+ENERGY -1.526600918969e+02
+FORCES  4.7420000000e-04 -2.5481000000e-03 -4.5929000000e-03 -1.6420000000e-03  4.3183000000e-03  6.7190000000e-04  2.1382000000e-03 -1.5700000000e-03  4.7933000000e-03  7.8460000000e-03 -2.8161000000e-03 -5.1551000000e-03 -6.6006000000e-03  4.6015000000e-03  3.7192000000e-03 -2.2158000000e-03 -1.9856000000e-03  5.6360000000e-04
+
+JOB 52
+COORDS -5.1070100000e-01  1.2875310000e+00 -3.4036600000e-01 -1.1597800000e+00  1.6539390000e+00 -9.4092700000e-01 -5.3635800000e-01  1.8652960000e+00  4.2236600000e-01  5.6253400000e-01 -1.3407440000e+00  3.9588300000e-01  2.2854000000e-02 -7.2308500000e-01 -9.7549000000e-02  8.5496400000e-01 -1.9778410000e+00 -2.5590300000e-01
+ENERGY -1.526604418219e+02
+FORCES -1.1932000000e-03  4.3492000000e-03  2.8897000000e-03  3.0306000000e-03 -1.7979000000e-03  2.8577000000e-03 -8.8110000000e-04 -1.4908000000e-03 -4.4663000000e-03 -2.3679000000e-03  5.5311000000e-03 -4.6570000000e-03  2.8998000000e-03 -9.2713000000e-03  1.8383000000e-03 -1.4881000000e-03  2.6797000000e-03  1.5376000000e-03
+
+JOB 53
+COORDS  7.2031800000e-01  2.7045500000e-01  1.3395940000e+00  5.6578000000e-02  9.4786200000e-01  1.4692100000e+00  3.9824800000e-01 -2.4239200000e-01  5.9831800000e-01 -6.0369500000e-01 -2.7235800000e-01 -1.2682880000e+00 -1.4855910000e+00 -4.0567200000e-01 -9.2084100000e-01 -7.1616600000e-01 -2.8248300000e-01 -2.2188030000e+00
+ENERGY -1.526583811924e+02
+FORCES -4.0839000000e-03  9.9190000000e-04 -8.3424000000e-03  1.5408000000e-03 -2.3839000000e-03  6.4760000000e-04  4.2340000000e-04  1.6330000000e-04  7.9398000000e-03 -2.2138000000e-03 -2.2600000000e-05 -4.3036000000e-03  5.2898000000e-03  1.0150000000e-03 -2.8770000000e-04 -9.5630000000e-04  2.3620000000e-04  4.3462000000e-03
+
+JOB 54
+COORDS -8.3295000000e-01 -2.2738600000e-01  1.2609540000e+00 -2.0158500000e-01 -2.7884000000e-02  5.6971600000e-01 -1.2894070000e+00  5.9973100000e-01  1.4150780000e+00  8.3164400000e-01  2.0006000000e-01 -1.1713360000e+00  2.1976200000e-01  4.2304400000e-01 -1.8728410000e+00  1.2905710000e+00 -5.7671700000e-01 -1.4910790000e+00
+ENERGY -1.526615886625e+02
+FORCES  5.0003000000e-03  4.1463000000e-03 -6.5193000000e-03 -6.3869000000e-03 -1.5307000000e-03  8.4334000000e-03  1.2744000000e-03 -2.5032000000e-03 -1.2316000000e-03 -3.9790000000e-04 -3.0154000000e-03 -5.1728000000e-03  3.0440000000e-03 -1.0774000000e-03  3.5460000000e-03 -2.5340000000e-03  3.9804000000e-03  9.4440000000e-04
+
+JOB 55
+COORDS -5.4736100000e-01 -1.2303380000e+00 -5.2402000000e-01 -1.2366530000e+00 -1.0129450000e+00 -1.1515940000e+00 -1.7482700000e-01 -2.0492670000e+00 -8.5083200000e-01  6.1131900000e-01  1.2955160000e+00  5.4675600000e-01  2.2648600000e-01  1.5902610000e+00  1.3721410000e+00  1.6916900000e-01  4.6783800000e-01  3.5785600000e-01
+ENERGY -1.526615328118e+02
+FORCES  4.4520000000e-04 -2.9817000000e-03 -4.3352000000e-03  3.3053000000e-03 -1.4012000000e-03  3.1079000000e-03 -3.0427000000e-03  3.1891000000e-03  5.3990000000e-04 -3.5976000000e-03 -6.9032000000e-03 -1.2700000000e-05  7.5320000000e-04 -1.4270000000e-03 -2.8976000000e-03  2.1366000000e-03  9.5240000000e-03  3.5978000000e-03
+
+JOB 56
+COORDS -1.4537000000e-01  5.1017800000e-01 -1.4073250000e+00 -1.0903590000e+00  6.5681600000e-01 -1.4488420000e+00  2.1952800000e-01  1.3625180000e+00 -1.1694240000e+00  1.3516200000e-01 -5.5422800000e-01  1.4392850000e+00  1.2969000000e-01 -3.7448500000e-01  4.9912900000e-01  9.7465000000e-01 -9.8655400000e-01  1.5960830000e+00
+ENERGY -1.526615542626e+02
+FORCES -3.5183000000e-03  5.9753000000e-03 -2.1404000000e-03  5.0834000000e-03 -6.6020000000e-04  7.2560000000e-04 -1.7511000000e-03 -5.1370000000e-03 -3.3060000000e-04  2.0435000000e-03 -2.9440000000e-04 -7.7845000000e-03  7.1410000000e-04 -1.7734000000e-03  1.0481500000e-02 -2.5717000000e-03  1.8899000000e-03 -9.5170000000e-04
+
+JOB 57
+COORDS -1.1172060000e+00  7.7922400000e-01  7.0629800000e-01 -3.3196800000e-01  4.8400900000e-01  1.1672540000e+00 -1.0860370000e+00  1.7340290000e+00  7.6635000000e-01  1.0192730000e+00 -8.7225500000e-01 -7.3410300000e-01  1.1731930000e+00 -2.6834500000e-01 -1.4606250000e+00  1.6491200000e+00 -6.0693000000e-01 -6.3933000000e-02
+ENERGY -1.526513224595e+02
+FORCES  4.8858000000e-03 -6.0870000000e-04  7.1090000000e-04 -2.2844000000e-03  2.7306000000e-03  4.4690000000e-04  6.1340000000e-04 -4.1647000000e-03 -1.2208000000e-03  5.2160000000e-04  5.1940000000e-03 -1.7619000000e-03  6.1090000000e-04 -2.9214000000e-03  2.8091000000e-03 -4.3473000000e-03 -2.2970000000e-04 -9.8410000000e-04
+
+JOB 58
+COORDS -4.3430000000e-01 -1.1593400000e-01 -1.4276700000e+00 -2.5422900000e-01 -7.8210900000e-01 -2.0910080000e+00 -1.3885570000e+00 -1.0252300000e-01 -1.3538810000e+00  4.5838700000e-01  2.1434900000e-01  1.5027930000e+00  1.0574490000e+00 -4.6317500000e-01  1.8163480000e+00  2.5935500000e-01 -3.9639000000e-02  6.0162300000e-01
+ENERGY -1.526609634523e+02
+FORCES -3.8176000000e-03 -1.9110000000e-03 -4.8617000000e-03 -1.3769000000e-03  2.9975000000e-03  3.0706000000e-03  5.0972000000e-03 -7.5610000000e-04 -2.2550000000e-04  6.8670000000e-04 -3.0147000000e-03 -6.8127000000e-03 -1.9957000000e-03  1.9803000000e-03 -1.4159000000e-03  1.4063000000e-03  7.0400000000e-04  1.0245200000e-02
+
+JOB 59
+COORDS  7.1596300000e-01 -1.4554330000e+00 -2.9116600000e-01  5.1387300000e-01 -5.2244600000e-01 -2.2097600000e-01 -6.7559000000e-02 -1.8419420000e+00 -6.8223700000e-01 -6.2224700000e-01  1.4229490000e+00  2.4710400000e-01 -4.4054600000e-01  1.9996070000e+00  9.8918300000e-01 -1.3360010000e+00  8.6108600000e-01  5.4892700000e-01
+ENERGY -1.526593612407e+02
+FORCES -3.4058000000e-03  5.5944000000e-03 -1.7452000000e-03  1.3983000000e-03 -9.0419000000e-03 -4.0490000000e-04  2.1619000000e-03  1.4976000000e-03  2.1087000000e-03 -3.2270000000e-03  3.1903000000e-03  5.7474000000e-03 -1.5124000000e-03 -2.6277000000e-03 -3.3683000000e-03  4.5849000000e-03  1.3874000000e-03 -2.3376000000e-03
+
+JOB 60
+COORDS -1.0270100000e+00  2.3890200000e-01 -1.2029700000e+00 -9.0200900000e-01  2.0359000000e-02 -2.1264660000e+00 -2.5987100000e-01  7.6386400000e-01 -9.7461800000e-01  9.7860000000e-01 -3.2751700000e-01  1.2546820000e+00  1.5667350000e+00  2.2506500000e-01  7.3991700000e-01  3.1923000000e-01  2.7657600000e-01  1.5960560000e+00
+ENERGY -1.526518058945e+02
+FORCES  4.8414000000e-03 -9.1690000000e-04 -1.7798000000e-03 -2.8890000000e-04  9.9690000000e-04  3.9006000000e-03 -2.7232000000e-03  8.5800000000e-05 -5.0180000000e-04 -2.0221000000e-03  3.1976000000e-03 -3.0720000000e-04 -3.7489000000e-03 -1.6786000000e-03  5.6310000000e-04  3.9418000000e-03 -1.6849000000e-03 -1.8748000000e-03
+
+JOB 61
+COORDS -2.8482300000e-01  1.3730390000e+00 -8.9223100000e-01 -5.5121100000e-01  8.7522300000e-01 -1.6651790000e+00  2.3411100000e-01  7.5589500000e-01 -3.7641000000e-01  2.1838400000e-01 -1.2924730000e+00  8.6662200000e-01  1.0546420000e+00 -1.6719020000e+00  5.9655200000e-01  2.7937700000e-01 -1.2311490000e+00  1.8199060000e+00
+ENERGY -1.526585105932e+02
+FORCES -5.3900000000e-05 -7.9615000000e-03  1.6575000000e-03  1.2001000000e-03  2.3220000000e-03  1.8787000000e-03  5.4880000000e-04  6.6186000000e-03 -4.6615000000e-03  1.9857000000e-03 -3.8284000000e-03  5.3316000000e-03 -3.9780000000e-03  3.3716000000e-03  4.4150000000e-04  2.9750000000e-04 -5.2230000000e-04 -4.6478000000e-03
+
+JOB 62
+COORDS  5.7581600000e-01 -9.2371600000e-01 -1.3387390000e+00  8.8790600000e-01 -1.2157290000e+00 -4.8225800000e-01  6.4561600000e-01  3.0410000000e-02 -1.3070770000e+00 -5.4565100000e-01  8.9629500000e-01  1.3263570000e+00 -1.1587120000e+00  1.6673100000e-01  1.4165040000e+00 -8.4820400000e-01  1.3696380000e+00  5.5134700000e-01
+ENERGY -1.526561812382e+02
+FORCES  2.7342000000e-03  3.6309000000e-03  5.8098000000e-03 -1.3991000000e-03 -6.6900000000e-04 -4.2872000000e-03 -1.5016000000e-03 -2.9617000000e-03 -1.7694000000e-03 -5.7741000000e-03 -1.2047000000e-03 -2.5506000000e-03  3.1843000000e-03  3.0935000000e-03  2.1750000000e-04  2.7563000000e-03 -1.8891000000e-03  2.5799000000e-03
+
+JOB 63
+COORDS -7.5943300000e-01  9.2302800000e-01  1.1247850000e+00 -4.2862400000e-01  1.7894030000e+00  1.3618300000e+00 -7.7576500000e-01  4.3832600000e-01  1.9500300000e+00  7.3968200000e-01 -1.0134750000e+00 -1.2009940000e+00  1.2695550000e+00 -3.5613300000e-01 -1.6519560000e+00  2.6564800000e-01 -5.2108800000e-01 -5.3086000000e-01
+ENERGY -1.526597952862e+02
+FORCES -7.5400000000e-05  3.4089000000e-03  6.2955000000e-03 -1.4735000000e-03 -3.9793000000e-03 -8.0210000000e-04  4.3720000000e-04  2.3274000000e-03 -4.0837000000e-03 -1.6465000000e-03  6.3663000000e-03  2.5514000000e-03 -1.4225000000e-03 -2.3707000000e-03  1.2983000000e-03  4.1806000000e-03 -5.7527000000e-03 -5.2595000000e-03
+
+JOB 64
+COORDS  9.1815600000e-01 -1.4998520000e+00 -2.6487000000e-02  5.5767200000e-01 -6.2441800000e-01 -1.6754500000e-01  2.4834600000e-01 -1.9559800000e+00  4.8295700000e-01 -7.9761200000e-01  1.4898040000e+00  2.1682000000e-02 -1.5306370000e+00  1.2714610000e+00  5.9721000000e-01 -1.1715160000e+00  1.4748790000e+00 -8.5934300000e-01
+ENERGY -1.526584520350e+02
+FORCES -4.4068000000e-03  4.5019000000e-03  2.1212000000e-03  2.8636000000e-03 -7.7944000000e-03 -1.0753000000e-03  2.1610000000e-03  1.2980000000e-03 -1.8582000000e-03 -6.5853000000e-03  2.9823000000e-03 -6.7700000000e-04  3.6632000000e-03  1.2980000000e-04 -2.9634000000e-03  2.3044000000e-03 -1.1177000000e-03  4.4528000000e-03
+
+JOB 65
+COORDS -1.3338700000e+00 -6.7659800000e-01  7.1960600000e-01 -1.7568530000e+00 -1.4022570000e+00  2.6054600000e-01 -1.6934210000e+00 -7.1122000000e-01  1.6060350000e+00  1.3962370000e+00  7.1715800000e-01 -6.7360500000e-01  1.6246000000e+00  9.8454000000e-02 -1.3673540000e+00  8.7626200000e-01  1.3897440000e+00 -1.1134740000e+00
+ENERGY -1.526521709829e+02
+FORCES -2.2659000000e-03 -3.1693000000e-03  2.3195000000e-03  2.0160000000e-03  3.2319000000e-03  1.4108000000e-03  1.4663000000e-03  3.2150000000e-04 -3.8728000000e-03 -3.6418000000e-03 -7.2330000000e-04 -3.4895000000e-03 -5.1350000000e-04  2.3941000000e-03  2.4564000000e-03  2.9389000000e-03 -2.0549000000e-03  1.1757000000e-03
+
+JOB 66
+COORDS -1.3940170000e+00 -5.7335500000e-01 -1.0259790000e+00 -1.2020920000e+00 -7.7462200000e-01 -1.1007100000e-01 -5.9647600000e-01 -8.1485400000e-01 -1.4969760000e+00  1.3690340000e+00  5.9990400000e-01  9.3707600000e-01  7.1492100000e-01 -3.1600000000e-02  1.2363580000e+00  1.4256730000e+00  1.2408500000e+00  1.6457450000e+00
+ENERGY -1.526527096406e+02
+FORCES  5.2887000000e-03 -5.9910000000e-04  9.4960000000e-04 -5.9700000000e-05  6.7280000000e-04 -1.9768000000e-03 -4.2141000000e-03  4.1900000000e-05  1.8715000000e-03 -2.3092000000e-03  1.5924000000e-03  4.6746000000e-03  1.4198000000e-03  1.2462000000e-03 -2.5393000000e-03 -1.2550000000e-04 -2.9541000000e-03 -2.9796000000e-03
+
+JOB 67
+COORDS  3.5101100000e-01  1.6268350000e+00 -6.4096900000e-01  1.0185670000e+00  1.1646480000e+00 -1.1479060000e+00  7.6934500000e-01  1.8039660000e+00  2.0155900000e-01 -4.1116000000e-01 -1.6238350000e+00  6.8423600000e-01 -9.7913100000e-01 -1.0145860000e+00  2.1258300000e-01  1.4537300000e-01 -2.0069540000e+00  6.2070000000e-03
+ENERGY -1.526562588965e+02
+FORCES  5.5368000000e-03 -5.0640000000e-04  2.5372000000e-03 -3.2293000000e-03  1.2923000000e-03  1.7173000000e-03 -1.6779000000e-03 -3.8500000000e-05 -4.0855000000e-03 -7.9140000000e-04  2.4583000000e-03 -5.3302000000e-03  1.7192000000e-03 -4.6737000000e-03  2.4947000000e-03 -1.5574000000e-03  1.4681000000e-03  2.6666000000e-03
+
+JOB 68
+COORDS  1.2854700000e+00  2.8542900000e-01 -1.1407210000e+00  2.0150330000e+00  4.2460900000e-01 -1.7445400000e+00  7.3937900000e-01  1.0652310000e+00 -1.2403530000e+00 -1.2859630000e+00 -2.9853100000e-01  1.1330970000e+00 -6.6627900000e-01 -5.7348900000e-01  1.8088360000e+00 -2.0859110000e+00 -7.8667300000e-01  1.3281140000e+00
+ENERGY -1.526545522817e+02
+FORCES -9.1550000000e-04  4.0863000000e-03 -2.5729000000e-03 -3.0474000000e-03 -8.3560000000e-04  2.6226000000e-03  3.6901000000e-03 -2.5727000000e-03 -5.9630000000e-04  5.4150000000e-04 -4.0335000000e-03  3.2132000000e-03 -3.4593000000e-03  1.2911000000e-03 -1.8238000000e-03  3.1906000000e-03  2.0644000000e-03 -8.4270000000e-04
+
+JOB 69
+COORDS  2.3226400000e-01 -1.2667200000e+00 -1.3043810000e+00  3.8488700000e-01 -1.9737650000e+00 -1.9312990000e+00 -2.7025800000e-01 -6.1585200000e-01 -1.7943540000e+00 -2.3066500000e-01  1.1986550000e+00  1.3790480000e+00  2.7339200000e-01  1.7835050000e+00  1.9448310000e+00 -4.3164300000e-01  1.7266190000e+00  6.0633000000e-01
+ENERGY -1.526521505151e+02
+FORCES -1.7988000000e-03 -3.2430000000e-04 -4.1693000000e-03 -4.8590000000e-04  2.9496000000e-03  2.8825000000e-03  2.1591000000e-03 -2.0756000000e-03  1.8741000000e-03  2.0417000000e-03  3.9656000000e-03 -1.1229000000e-03 -2.1976000000e-03 -2.4576000000e-03 -2.1829000000e-03  2.8150000000e-04 -2.0578000000e-03  2.7186000000e-03
+
+JOB 70
+COORDS  1.7600830000e+00 -6.4194500000e-01  5.1280000000e-02  2.3472440000e+00 -1.2759090000e+00 -3.6050100000e-01  1.8238000000e+00 -8.2893300000e-01  9.8787400000e-01 -1.8416180000e+00  7.1091900000e-01 -1.2562000000e-01 -1.5150950000e+00  1.1700060000e+00  6.4823600000e-01 -1.4083210000e+00 -1.4218600000e-01 -9.9191000000e-02
+ENERGY -1.526554792861e+02
+FORCES  4.6100000000e-03 -3.3417000000e-03  1.4121000000e-03 -2.5403000000e-03  2.6483000000e-03  2.0180000000e-03 -1.2832000000e-03  9.3850000000e-04 -4.0084000000e-03  5.2989000000e-03 -1.7754000000e-03  2.3875000000e-03 -2.0163000000e-03 -1.5965000000e-03 -2.3751000000e-03 -4.0691000000e-03  3.1269000000e-03  5.6590000000e-04
+
+JOB 71
+COORDS  3.9734100000e-01  1.7959910000e+00  9.6760300000e-01  8.1874800000e-01  9.8767000000e-01  6.7560200000e-01  7.4469000000e-02  2.2023870000e+00  1.6334700000e-01 -4.6018100000e-01 -1.8025780000e+00 -9.1419000000e-01  2.0680200000e-01 -1.5161290000e+00 -1.5381390000e+00 -1.0326600000e-01 -1.5690330000e+00 -5.7276000000e-02
+ENERGY -1.526530815705e+02
+FORCES -2.2160000000e-04 -8.2770000000e-04 -4.8775000000e-03 -1.7352000000e-03  2.0547000000e-03  1.3547000000e-03  1.8471000000e-03 -1.5843000000e-03  3.5312000000e-03  3.5219000000e-03  7.2380000000e-04  1.0353000000e-03 -2.8085000000e-03 -4.0980000000e-04  3.1747000000e-03 -6.0370000000e-04  4.3300000000e-05 -4.2183000000e-03
+
+JOB 72
+COORDS -3.3030300000e-01 -1.9367590000e+00  7.9325000000e-01  4.4529600000e-01 -1.4247120000e+00  5.6415200000e-01 -8.3869300000e-01 -1.9777270000e+00 -1.6745000000e-02  3.0321100000e-01  1.8967810000e+00 -6.6331300000e-01  8.4169200000e-01  2.5588940000e+00 -1.0967600000e+00 -9.3226000000e-02  1.4025460000e+00 -1.3808100000e+00
+ENERGY -1.526543955157e+02
+FORCES  1.3621000000e-03  3.0184000000e-03 -3.5965000000e-03 -3.2588000000e-03 -3.5311000000e-03  5.2310000000e-04  1.9782000000e-03  1.4640000000e-04  2.8420000000e-03  1.9330000000e-04  2.2089000000e-03 -4.8337000000e-03 -2.3208000000e-03 -2.9518000000e-03  1.8205000000e-03  2.0460000000e-03  1.1092000000e-03  3.2445000000e-03
+
+JOB 73
+COORDS  4.8492100000e-01  1.2242450000e+00 -1.5929920000e+00  9.3303700000e-01  1.7488780000e+00 -9.2952900000e-01  6.5522600000e-01  1.6819880000e+00 -2.4162170000e+00 -4.8858200000e-01 -1.2571060000e+00  1.6616470000e+00 -2.6721800000e-01 -2.0162770000e+00  1.1223060000e+00 -1.2635120000e+00 -8.8277800000e-01  1.2426070000e+00
+ENERGY -1.526553312317e+02
+FORCES  3.0381000000e-03  4.1438000000e-03 -2.2650000000e-04 -1.9609000000e-03 -1.7385000000e-03 -3.3154000000e-03 -7.1820000000e-04 -1.9320000000e-03  3.3747000000e-03 -2.0779000000e-03 -1.1968000000e-03 -5.1564000000e-03 -9.7380000000e-04  2.4980000000e-03  2.7271000000e-03  2.6927000000e-03 -1.7746000000e-03  2.5964000000e-03
+
+JOB 74
+COORDS -1.0691800000e-01 -2.1108690000e+00  5.1589600000e-01  8.1003000000e-02 -1.2591370000e+00  9.1019400000e-01 -8.9926300000e-01 -2.4117060000e+00  9.6077600000e-01  1.3749600000e-01  2.0608930000e+00 -6.3023500000e-01  2.1809700000e-01  2.9262980000e+00 -2.2922500000e-01  1.1336000000e-01  1.4546390000e+00  1.1010700000e-01
+ENERGY -1.526523120121e+02
+FORCES -2.7248000000e-03  1.5400000000e-03  3.2454000000e-03 -8.4730000000e-04 -2.1498000000e-03 -1.7600000000e-03  3.5209000000e-03  1.3487000000e-03 -1.8180000000e-03  3.3230000000e-04  1.4445000000e-03  4.2798000000e-03 -4.0880000000e-04 -3.7919000000e-03 -1.7391000000e-03  1.2760000000e-04  1.6085000000e-03 -2.2082000000e-03
+
+JOB 75
+COORDS -4.1439800000e-01  2.0004480000e+00  1.4657250000e+00 -6.3041000000e-02  1.2447810000e+00  9.9482400000e-01  5.6711000000e-02  2.0042510000e+00  2.2989560000e+00  3.6319500000e-01 -1.8921120000e+00 -1.4679430000e+00  5.4198200000e-01 -2.6835460000e+00 -9.6010500000e-01  2.3151300000e-01 -2.2057250000e+00 -2.3626710000e+00
+ENERGY -1.526551883799e+02
+FORCES  3.3445000000e-03 -3.4788000000e-03  7.2760000000e-04 -1.4050000000e-03  3.7470000000e-03  2.8821000000e-03 -1.8836000000e-03  6.3000000000e-06 -3.1705000000e-03 -5.7800000000e-05 -4.7848000000e-03 -2.2998000000e-03 -6.4810000000e-04  3.4432000000e-03 -1.8912000000e-03  6.5010000000e-04  1.0670000000e-03  3.7518000000e-03
+
+JOB 76
+COORDS -2.6029300000e-01 -2.1182610000e+00 -1.1726810000e+00 -4.5865000000e-01 -2.9836150000e+00 -8.1484200000e-01  4.2898300000e-01 -2.2774430000e+00 -1.8175000000e+00  2.2450000000e-01  2.2257230000e+00  1.2423120000e+00  9.6693000000e-01  2.0902860000e+00  6.5351100000e-01 -4.3450500000e-01  1.5979610000e+00  9.4590100000e-01
+ENERGY -1.526553186425e+02
+FORCES  1.8692000000e-03 -4.8216000000e-03 -1.3176000000e-03  8.6360000000e-04  3.5892000000e-03 -1.5634000000e-03 -2.7729000000e-03  8.2570000000e-04  2.7378000000e-03  1.2960000000e-04 -3.8528000000e-03 -3.9195000000e-03 -2.6158000000e-03  9.9160000000e-04  2.4233000000e-03  2.5264000000e-03  3.2679000000e-03  1.6393000000e-03
+
+JOB 77
+COORDS -3.7708500000e-01 -1.2235340000e+00 -2.0974740000e+00 -3.8942800000e-01 -2.1480470000e+00 -1.8497750000e+00  1.5400500000e-01 -1.1953800000e+00 -2.8933270000e+00  3.9846700000e-01  1.3136780000e+00  2.1441550000e+00 -1.2763400000e-01  7.7100100000e-01  2.7314810000e+00 -2.9736000000e-02  1.2300230000e+00  1.2921720000e+00
+ENERGY -1.526551893254e+02
+FORCES  2.4079000000e-03 -3.8726000000e-03 -2.6993000000e-03 -6.6600000000e-05  3.8527000000e-03 -9.1700000000e-04 -2.2798000000e-03 -2.1260000000e-04  3.2501000000e-03 -3.9548000000e-03 -2.7483000000e-03 -1.8072000000e-03  2.1365000000e-03  2.1347000000e-03 -2.0829000000e-03  1.7568000000e-03  8.4610000000e-04  4.2563000000e-03
+
+JOB 78
+COORDS -4.4557000000e-01 -3.0410000000e-03 -2.5887920000e+00  5.9724000000e-02  7.2029500000e-01 -2.2177180000e+00 -4.0995900000e-01 -6.8801200000e-01 -1.9211260000e+00  4.3205500000e-01 -5.4958000000e-02  2.5100460000e+00 -1.7793800000e-01  1.7462800000e-01  3.2110670000e+00  7.5313700000e-01  7.8660000000e-01  2.1861350000e+00
+ENERGY -1.526546220679e+02
+FORCES  2.2142000000e-03 -2.6750000000e-04  4.5626000000e-03 -2.0024000000e-03 -2.5720000000e-03 -1.5399000000e-03 -1.9920000000e-04  2.9400000000e-03 -3.2306000000e-03 -1.2209000000e-03  4.3936000000e-03  2.4365000000e-03  2.6036000000e-03 -9.0050000000e-04 -2.9678000000e-03 -1.3953000000e-03 -3.5935000000e-03  7.3920000000e-04
+
+JOB 79
+COORDS  9.2829300000e-01 -2.3526460000e+00  8.4141300000e-01  4.2618600000e-01 -2.9742280000e+00  1.3684390000e+00  3.0541400000e-01 -1.6562080000e+00  6.3350100000e-01 -8.6919700000e-01  2.4074290000e+00 -8.8417400000e-01 -4.9497500000e-01  2.1721670000e+00 -3.5150000000e-02 -1.0673530000e+00  1.5683080000e+00 -1.2999160000e+00
+ENERGY -1.526533557693e+02
+FORCES -4.5112000000e-03 -2.9990000000e-04  1.5330000000e-03  2.0904000000e-03  2.7214000000e-03 -2.2632000000e-03  2.4755000000e-03 -2.2116000000e-03  6.2490000000e-04  9.8770000000e-04 -3.8377000000e-03  1.4440000000e-03 -1.8299000000e-03  4.6200000000e-04 -3.5341000000e-03  7.8750000000e-04  3.1658000000e-03  2.1954000000e-03
+
+JOB 80
+COORDS  1.1345370000e+00 -2.1883460000e+00  9.3713200000e-01  2.0575440000e+00 -2.4221500000e+00  8.3902600000e-01  6.7378400000e-01 -2.7717860000e+00  3.3419200000e-01 -1.1823550000e+00  2.1960300000e+00 -9.5048700000e-01 -1.0368130000e+00  1.8808280000e+00 -5.8468000000e-02 -9.0639900000e-01  3.1123430000e+00 -9.2924800000e-01
+ENERGY -1.526547197944e+02
+FORCES  1.8958000000e-03 -3.4452000000e-03 -3.2040000000e-03 -3.7324000000e-03  9.3250000000e-04  4.9800000000e-04  1.9447000000e-03  2.2743000000e-03  2.6519000000e-03  1.9865000000e-03  2.0312000000e-03  4.0126000000e-03 -9.6250000000e-04  1.8064000000e-03 -3.7970000000e-03 -1.1321000000e-03 -3.5992000000e-03 -1.6160000000e-04
+
+JOB 81
+COORDS -7.4009000000e-01  2.0218150000e+00 -1.8379810000e+00 -9.7491600000e-01  2.3112640000e+00 -9.5633000000e-01 -1.1293790000e+00  1.1508640000e+00 -1.9162830000e+00  7.7514900000e-01 -2.0534360000e+00  1.7778590000e+00  8.3165000000e-02 -1.5279570000e+00  2.1794330000e+00  1.4836780000e+00 -1.4313770000e+00  1.6127500000e+00
+ENERGY -1.526540873164e+02
+FORCES -2.7805000000e-03 -2.4315000000e-03  2.8803000000e-03  1.1519000000e-03 -1.2861000000e-03 -3.3828000000e-03  1.6266000000e-03  3.7722000000e-03  4.8570000000e-04  5.1980000000e-04  4.5140000000e-03  1.1842000000e-03  2.6259000000e-03 -2.0130000000e-03 -1.9030000000e-03 -3.1438000000e-03 -2.5557000000e-03  7.3560000000e-04
+
+JOB 82
+COORDS -6.2841600000e-01 -2.4973320000e+00  1.3709790000e+00 -2.7441500000e-01 -2.4127630000e+00  4.8567500000e-01 -3.0986900000e-01 -3.3466220000e+00  1.6767020000e+00  5.9301900000e-01  2.4733330000e+00 -1.3405680000e+00  2.6732300000e-01  3.0327720000e+00 -2.0456800000e+00  8.3517000000e-01  3.0826510000e+00 -6.4319700000e-01
+ENERGY -1.526543358669e+02
+FORCES  2.8392000000e-03 -2.7081000000e-03 -2.6756000000e-03 -1.5162000000e-03 -8.4110000000e-04  3.7821000000e-03 -1.3080000000e-03  3.3995000000e-03 -1.1647000000e-03 -5.1010000000e-04  4.8519000000e-03  2.5390000000e-04  1.3777000000e-03 -2.3102000000e-03  2.8101000000e-03 -8.8260000000e-04 -2.3920000000e-03 -3.0058000000e-03
+
+JOB 83
+COORDS -6.4532800000e-01  2.0704110000e+00 -2.3289490000e+00 -4.0469400000e-01  2.2705630000e+00 -1.4243680000e+00 -2.9948000000e-02  1.3873990000e+00 -2.5954710000e+00  6.4428900000e-01 -1.9924440000e+00  2.3121100000e+00  7.5027700000e-01 -2.9412830000e+00  2.2435420000e+00 -2.6507600000e-01 -1.8336290000e+00  2.0590000000e+00
+ENERGY -1.526544519598e+02
+FORCES  3.7741000000e-03 -1.8365000000e-03  2.6339000000e-03 -1.1967000000e-03 -8.3420000000e-04 -3.7210000000e-03 -2.6586000000e-03  2.7207000000e-03  9.9580000000e-04 -3.3572000000e-03 -3.5002000000e-03 -1.0069000000e-03 -4.2200000000e-04  3.9277000000e-03  2.1550000000e-04  3.8605000000e-03 -4.7750000000e-04  8.8270000000e-04
+
+JOB 84
+COORDS  1.7301500000e-01  2.0428370000e+00  2.5236530000e+00 -7.8411200000e-01  2.0335990000e+00  2.5162440000e+00  4.2127700000e-01  1.1219940000e+00  2.6051740000e+00 -1.3730300000e-01 -1.9677520000e+00 -2.4658030000e+00 -8.5630200000e-01 -2.0352390000e+00 -3.0940690000e+00  6.3612900000e-01 -2.2479820000e+00 -2.9551960000e+00
+ENERGY -1.526543301976e+02
+FORCES -2.8960000000e-03 -4.0726000000e-03 -1.4040000000e-04  3.8106000000e-03  1.9840000000e-04  2.1740000000e-04 -9.4180000000e-04  3.8636000000e-03  8.5000000000e-06  3.2710000000e-04 -1.2909000000e-03 -4.7163000000e-03  2.8914000000e-03  2.3500000000e-04  2.6119000000e-03 -3.1912000000e-03  1.0664000000e-03  2.0189000000e-03
+
+JOB 85
+COORDS -4.3857900000e-01 -3.1504300000e+00  9.3664800000e-01 -1.3292000000e+00 -3.4888980000e+00  8.4463700000e-01  4.6536000000e-02 -3.5523230000e+00  2.1597000000e-01  5.1023100000e-01  3.2207050000e+00 -9.2005500000e-01  5.5840700000e-01  2.4888250000e+00 -3.0502300000e-01 -4.0723100000e-01  3.4927480000e+00 -8.9796400000e-01
+ENERGY -1.526544842373e+02
+FORCES -1.5878000000e-03 -3.3251000000e-03 -3.2977000000e-03  3.6189000000e-03  1.4903000000e-03  3.6760000000e-04 -2.0294000000e-03  1.7200000000e-03  2.9636000000e-03 -3.5164000000e-03 -2.0569000000e-03  2.7714000000e-03 -1.6900000000e-04  3.1913000000e-03 -2.6322000000e-03  3.6837000000e-03 -1.0196000000e-03 -1.7280000000e-04
+
+JOB 86
+COORDS -2.5440700000e-01  3.3498890000e+00  4.0661000000e-01  3.0582000000e-01  3.4039610000e+00  1.1808540000e+00 -9.5096000000e-01  2.7426940000e+00  6.5633000000e-01  2.8201300000e-01 -3.3810760000e+00 -4.5723700000e-01 -6.1678700000e-01 -3.0531280000e+00 -4.2824600000e-01  8.1482000000e-01 -2.6056910000e+00 -6.3366300000e-01
+ENERGY -1.526540870305e+02
+FORCES -6.1600000000e-04 -1.8409000000e-03  4.3694000000e-03 -2.3035000000e-03 -3.5670000000e-04 -3.2567000000e-03  2.9396000000e-03  2.2260000000e-03 -1.1742000000e-03 -1.4102000000e-03  4.4523000000e-03 -8.7610000000e-04  3.6342000000e-03 -1.2786000000e-03  3.9700000000e-05 -2.2442000000e-03 -3.2020000000e-03  8.9790000000e-04
+
+JOB 87
+COORDS -2.5147000000e-01  3.2284740000e+00 -1.2030280000e+00 -3.3449500000e-01  3.4608310000e+00 -2.1278790000e+00 -6.1236000000e-02  2.2903780000e+00 -1.2074090000e+00  2.4945700000e-01 -3.1864020000e+00  1.1947480000e+00  3.7898800000e-01 -3.9493310000e+00  1.7581250000e+00  4.7959000000e-02 -2.4726550000e+00  1.7998890000e+00
+ENERGY -1.526544019177e+02
+FORCES  4.6910000000e-04 -2.9824000000e-03 -3.9125000000e-03  3.2740000000e-04 -8.7620000000e-04  3.7622000000e-03 -8.1020000000e-04  3.9454000000e-03  1.5060000000e-04 -3.0180000000e-04 -3.5710000000e-04  4.9246000000e-03 -5.3080000000e-04  3.1176000000e-03 -2.3015000000e-03  8.4630000000e-04 -2.8474000000e-03 -2.6234000000e-03
+
+JOB 88
+COORDS -8.6000000000e-03  3.7193850000e+00  2.0312560000e+00 -7.8515800000e-01  3.1598120000e+00  2.0230780000e+00  7.1676700000e-01  3.1261150000e+00  1.8360510000e+00  3.4069000000e-02 -3.5861840000e+00 -2.0310590000e+00  5.3820300000e-01 -4.3189910000e+00 -1.6773990000e+00 -8.4040900000e-01 -3.9459890000e+00 -2.1795890000e+00
+ENERGY -1.526542657083e+02
+FORCES -1.8410000000e-04 -4.7990000000e-03 -9.9140000000e-04  3.1060000000e-03  2.3355000000e-03  1.2670000000e-04 -2.9261000000e-03  2.4859000000e-03  9.0130000000e-04 -1.4934000000e-03 -4.5724000000e-03  6.7960000000e-04 -2.0673000000e-03  3.0396000000e-03 -1.3867000000e-03  3.5648000000e-03  1.5103000000e-03  6.7050000000e-04
+
+JOB 89
+COORDS  4.3000100000e-01 -3.1700340000e+00  4.1505110000e+00  1.1524480000e+00 -3.0508310000e+00  4.7670270000e+00 -3.0335500000e-01 -3.4595980000e+00  4.6932570000e+00 -4.3902500000e-01  3.1170460000e+00 -4.2386180000e+00  3.8837900000e-01  3.5320620000e+00 -3.9949030000e+00 -1.1014350000e+00  3.7885750000e+00 -4.0758490000e+00
+ENERGY -1.526539957991e+02
+FORCES -6.1000000000e-05 -7.1420000000e-04  4.6911000000e-03 -2.9432000000e-03 -4.7300000000e-04 -2.5076000000e-03  2.9997000000e-03  1.1893000000e-03 -2.1969000000e-03  6.8450000000e-04  4.3668000000e-03  1.7414000000e-03 -3.3753000000e-03 -1.6541000000e-03 -1.0337000000e-03  2.6953000000e-03 -2.7148000000e-03 -6.9420000000e-04
+
+JOB 0
+COORDS -6.6112000000e-01 -5.6940600000e-01  1.0200830000e+00 -4.3355600000e-01 -1.4711670000e+00  7.9364600000e-01 -2.2559800000e-01 -3.7507000000e-02  3.5402300000e-01  5.6025700000e-01  5.9558200000e-01 -9.5862000000e-01  9.9664100000e-01 -1.3033700000e-01 -1.4045390000e+00  1.2638590000e+00  1.2138940000e+00 -7.6147300000e-01
+ENERGY -1.526566047844e+02
+FORCES  1.0379800000e-02  8.8689000000e-03 -1.7368500000e-02  3.7030000000e-04  2.5939000000e-03 -7.8150000000e-04 -2.9433000000e-03 -4.2936000000e-03  6.9848000000e-03 -1.8861000000e-03 -6.1958000000e-03  8.1235000000e-03 -2.2245000000e-03  3.5301000000e-03  3.9506000000e-03 -3.6962000000e-03 -4.5035000000e-03 -9.0890000000e-04
+
+JOB 1
+COORDS  3.9570000000e-01  7.9377400000e-01  1.0134920000e+00  4.3181000000e-02  1.7091000000e-01  3.7787900000e-01  1.3440930000e+00  6.7262200000e-01  9.6763300000e-01 -4.3579400000e-01 -7.1214800000e-01 -9.0377700000e-01 -6.1445500000e-01 -1.6404690000e+00 -1.0538790000e+00 -1.9477700000e-01 -3.7177300000e-01 -1.7653390000e+00
+ENERGY -1.526575744964e+02
+FORCES -4.9540000000e-03 -1.3568100000e-02 -1.4484100000e-02  2.0047000000e-03  4.9992000000e-03  3.7742000000e-03 -2.4360000000e-03 -7.9800000000e-05 -1.0521000000e-03  4.7897000000e-03  7.2489000000e-03  9.0119000000e-03  1.5614000000e-03  5.1193000000e-03 -1.3229000000e-03 -9.6580000000e-04 -3.7194000000e-03  4.0730000000e-03
+
+JOB 2
+COORDS -2.1783600000e-01 -1.1982770000e+00 -3.8199000000e-01 -7.9016600000e-01 -1.2533570000e+00 -1.1472590000e+00  6.3082100000e-01 -1.5124900000e+00 -6.9389100000e-01  2.6005300000e-01  1.2455600000e+00  4.6345000000e-01  9.4854000000e-02  3.4029100000e-01  1.9995800000e-01 -5.7201900000e-01  1.6945860000e+00  3.1424100000e-01
+ENERGY -1.526582606067e+02
+FORCES  2.1515000000e-03  8.7215000000e-03 -1.1027000000e-03  3.5158000000e-03  4.1950000000e-04  3.8996000000e-03 -5.1872000000e-03  3.1589000000e-03  1.5383000000e-03 -6.6046000000e-03 -1.8386500000e-02 -6.0020000000e-03  4.4608000000e-03  8.2066000000e-03  2.2223000000e-03  1.6636000000e-03 -2.1200000000e-03 -5.5560000000e-04
+
+JOB 3
+COORDS  1.1342500000e-01 -1.0778760000e+00  6.1538000000e-01  4.9478400000e-01 -1.8158500000e+00  1.3978400000e-01  3.3991800000e-01 -1.2397640000e+00  1.5311990000e+00 -1.4888200000e-01  1.1427550000e+00 -7.0779000000e-01 -2.9907900000e-01  3.2414700000e-01 -2.3497600000e-01 -4.6592000000e-02  1.8013990000e+00 -2.0799000000e-02
+ENERGY -1.526568438228e+02
+FORCES  1.5635000000e-03  1.0110300000e-02 -5.8190000000e-03 -1.7822000000e-03  2.9959000000e-03  3.9164000000e-03 -5.3000000000e-05 -2.8120000000e-04 -4.7685000000e-03  2.6977000000e-03 -1.4865900000e-02  1.2324900000e-02 -2.2190000000e-03  4.1531000000e-03 -4.6214000000e-03 -2.0690000000e-04 -2.1122000000e-03 -1.0324000000e-03
+
+JOB 4
+COORDS -7.7012000000e-01  4.2838200000e-01 -1.0052390000e+00 -7.9735000000e-02  4.8696800000e-01 -3.4480900000e-01 -4.3444100000e-01  9.2959300000e-01 -1.7484330000e+00  7.1953600000e-01 -3.9368000000e-01  9.8996100000e-01  1.1801660000e+00 -1.1604820000e+00  6.4927700000e-01  1.2272000000e-01 -7.4596600000e-01  1.6502160000e+00
+ENERGY -1.526588299759e+02
+FORCES  8.9389000000e-03 -3.3507000000e-03  1.1989500000e-02 -4.3401000000e-03  4.1631000000e-03 -8.1813000000e-03  1.5328000000e-03 -2.4484000000e-03  3.9088000000e-03 -8.0261000000e-03 -2.7200000000e-03 -7.0822000000e-03 -1.9056000000e-03  3.5857000000e-03  2.2431000000e-03  3.8001000000e-03  7.7030000000e-04 -2.8779000000e-03
+
+JOB 5
+COORDS  2.6336500000e-01  4.4707700000e-01 -1.1662890000e+00 -6.0103500000e-01  6.9524900000e-01 -1.4940910000e+00  8.5774600000e-01  1.0973600000e+00 -1.5405550000e+00 -2.8069500000e-01 -5.6567700000e-01  1.2123380000e+00  1.7501000000e-02 -1.1507900000e-01  4.2222800000e-01 -7.0614000000e-02  3.6735000000e-02  1.9259180000e+00
+ENERGY -1.526594351054e+02
+FORCES -2.1005000000e-03 -8.9300000000e-04  5.6239000000e-03  5.5278000000e-03 -3.3430000000e-04  2.1179000000e-03 -4.2631000000e-03 -2.5890000000e-03  1.3246000000e-03  5.5220000000e-03  7.4584000000e-03 -1.3517200000e-02 -4.7084000000e-03 -3.0015000000e-03  7.7673000000e-03  2.2200000000e-05 -6.4060000000e-04 -3.3165000000e-03
+
+JOB 6
+COORDS -1.0752160000e+00  8.5886000000e-02  7.1578200000e-01 -1.0832390000e+00 -5.5219600000e-01  1.4292370000e+00 -1.7842720000e+00 -1.9301300000e-01  1.3639800000e-01  1.1195910000e+00  1.6138000000e-02 -7.7623000000e-01  5.5068400000e-01  1.6980000000e-03 -6.5770000000e-03  1.6691360000e+00 -7.6203700000e-01 -6.8308700000e-01
+ENERGY -1.526578284236e+02
+FORCES  1.2833000000e-03 -2.6750000000e-03 -7.6812000000e-03  2.5370000000e-03  2.4480000000e-03 -5.2891000000e-03  2.4732000000e-03  7.0290000000e-04  4.8293000000e-03 -1.2391000000e-02  6.6600000000e-05  9.5665000000e-03  9.7082000000e-03 -2.3787000000e-03 -2.8572000000e-03 -3.6106000000e-03  1.8362000000e-03  1.4317000000e-03
+
+JOB 7
+COORDS  7.3732600000e-01 -9.4105200000e-01  6.5023600000e-01  5.9628400000e-01 -1.9311800000e-01  6.9777000000e-02  1.1131640000e+00 -1.6159660000e+00  8.5021000000e-02 -7.0472200000e-01  9.2887000000e-01 -5.3593900000e-01 -5.7959100000e-01  1.0290660000e+00 -1.4796200000e+00 -1.6540920000e+00  9.5194200000e-01 -4.1595000000e-01
+ENERGY -1.526558443249e+02
+FORCES -8.1972000000e-03  9.7039000000e-03 -7.2779000000e-03  7.5488000000e-03 -4.4824000000e-03 -5.3800000000e-05 -2.2065000000e-03  3.4741000000e-03  1.9230000000e-04 -1.9117000000e-03 -7.6250000000e-03  4.6884000000e-03  8.9130000000e-04 -2.6473000000e-03  5.2580000000e-03  3.8753000000e-03  1.5766000000e-03 -2.8069000000e-03
+
+JOB 8
+COORDS  2.2557800000e-01  1.1658780000e+00  4.9960700000e-01 -8.0982000000e-02  2.0725170000e+00  5.1562800000e-01  1.3604500000e-01  8.6624700000e-01  1.4042820000e+00 -1.7049200000e-01 -1.2534050000e+00 -5.2169000000e-01  4.9113000000e-02 -3.2646400000e-01 -4.2796100000e-01 -9.3582300000e-01 -1.2617840000e+00 -1.0965210000e+00
+ENERGY -1.526596239045e+02
+FORCES -3.1452000000e-03 -6.1201000000e-03 -5.9300000000e-05  7.7260000000e-04 -4.4997000000e-03  1.5264000000e-03  3.8660000000e-04  3.2680000000e-03 -4.6898000000e-03  1.5670000000e-04  1.4689200000e-02  2.5643000000e-03 -2.4130000000e-04 -8.3800000000e-03 -1.0674000000e-03  2.0706000000e-03  1.0425000000e-03  1.7258000000e-03
+
+JOB 9
+COORDS  8.3198000000e-02 -1.0115140000e+00 -8.1451500000e-01  4.0339400000e-01 -1.4683890000e+00 -1.5923140000e+00 -8.6204300000e-01 -9.4268400000e-01 -9.4873100000e-01 -5.0800000000e-04  1.0424870000e+00  9.0957700000e-01 -7.6644700000e-01  1.5805570000e+00  7.0945400000e-01 -5.0767000000e-02  3.1388900000e-01  2.9082600000e-01
+ENERGY -1.526552447550e+02
+FORCES  1.8592000000e-03  3.9968000000e-03  4.5420000000e-04 -3.7256000000e-03  1.1815000000e-03  3.3582000000e-03  6.2909000000e-03  3.8780000000e-03  3.0621000000e-03  2.2728000000e-03 -8.4735000000e-03 -9.1200000000e-03  1.7603000000e-03 -3.7104000000e-03 -9.2160000000e-04 -8.4574000000e-03  3.1276000000e-03  3.1671000000e-03
+
+JOB 10
+COORDS  1.8403300000e-01  6.8435000000e-01 -1.0784540000e+00  4.8165100000e-01  6.7848800000e-01 -1.9881900000e+00  5.2251000000e-01  1.5050430000e+00 -7.2050200000e-01 -1.9167600000e-01 -7.8485400000e-01  1.1433480000e+00 -9.4078900000e-01 -2.4134100000e-01  1.3875930000e+00  8.8119000000e-02 -4.4069000000e-01  2.9511700000e-01
+ENERGY -1.526594628201e+02
+FORCES  1.1354000000e-03 -1.6498000000e-03  3.2101000000e-03 -1.1077000000e-03  1.5597000000e-03  4.8335000000e-03 -2.0214000000e-03 -4.7106000000e-03 -2.1557000000e-03 -8.7850000000e-04  8.0008000000e-03 -1.3536700000e-02  2.4154000000e-03 -6.9750000000e-04  1.4210000000e-04  4.5670000000e-04 -2.5027000000e-03  7.5067000000e-03
+
+JOB 11
+COORDS  1.2745660000e+00 -3.9289000000e-02 -5.7133400000e-01  4.0980500000e-01 -1.2213000000e-01 -1.6939300000e-01  1.1357100000e+00  5.3712900000e-01 -1.3227940000e+00 -1.1925510000e+00 -3.2953000000e-02  5.4452700000e-01 -1.3780520000e+00 -2.1084000000e-01  1.4665780000e+00 -1.3760360000e+00  9.0050100000e-01  4.3856500000e-01
+ENERGY -1.526592977674e+02
+FORCES -1.4855100000e-02 -8.9470000000e-04  4.8939000000e-03  8.5730000000e-03  2.8254000000e-03 -4.8040000000e-03 -1.0073000000e-03 -7.9310000000e-04  3.0431000000e-03  4.4361000000e-03  2.0872000000e-03  1.7614000000e-03  3.2370000000e-04  2.0485000000e-03 -4.8114000000e-03  2.5295000000e-03 -5.2733000000e-03 -8.3000000000e-05
+
+JOB 12
+COORDS  7.6975000000e-01 -2.3440100000e-01  1.1225950000e+00  1.3835040000e+00  4.9275000000e-01  1.2264640000e+00  4.9961500000e-01 -1.9127700000e-01  2.0531700000e-01 -7.3059800000e-01  1.8153000000e-01 -1.1142050000e+00 -1.4129390000e+00 -4.5171000000e-01 -8.9138100000e-01 -1.0479470000e+00  1.0114920000e+00 -7.5827800000e-01
+ENERGY -1.526597251344e+02
+FORCES -4.6649000000e-03  2.7630000000e-03 -1.3374100000e-02 -3.1425000000e-03 -1.2840000000e-03 -1.4017000000e-03  4.1956000000e-03 -1.3044000000e-03  9.5160000000e-03 -3.3884000000e-03  6.6850000000e-04  7.5585000000e-03  4.3518000000e-03  3.4320000000e-03 -6.9910000000e-04  2.6483000000e-03 -4.2750000000e-03 -1.5996000000e-03
+
+JOB 13
+COORDS  3.8517700000e-01 -1.2649540000e+00  3.9546800000e-01  1.9421700000e-01 -3.2742300000e-01  4.2377100000e-01  1.2273640000e+00 -1.3519170000e+00  8.4200000000e-01 -3.9716100000e-01  1.1558490000e+00 -3.9451100000e-01 -7.3202100000e-01  1.9339350000e+00  5.1226000000e-02 -4.8515700000e-01  1.3565290000e+00 -1.3262920000e+00
+ENERGY -1.526590954492e+02
+FORCES -2.6180000000e-03  1.2318800000e-02 -3.4213000000e-03  2.9231000000e-03 -6.6785000000e-03  5.1154000000e-03 -2.7608000000e-03  2.1748000000e-03 -1.4831000000e-03  9.9870000000e-04 -5.7029000000e-03 -2.6338000000e-03  2.0098000000e-03 -3.9346000000e-03 -2.4129000000e-03 -5.5270000000e-04  1.8224000000e-03  4.8357000000e-03
+
+JOB 14
+COORDS  7.8900000000e-02  2.2238400000e-01 -1.3684520000e+00 -1.4187600000e-01  2.3661200000e-01 -4.3717000000e-01  2.3014300000e-01  1.1404280000e+00 -1.5932900000e+00 -1.0786900000e-01 -2.2705900000e-01  1.2769470000e+00  8.1849500000e-01 -2.5619600000e-01  1.5161770000e+00 -5.2092500000e-01 -8.8511500000e-01  1.8360350000e+00
+ENERGY -1.526601270638e+02
+FORCES -3.0100000000e-03 -1.1621000000e-03  1.2749500000e-02  3.0698000000e-03  3.6906000000e-03 -8.5369000000e-03 -3.4300000000e-05 -2.7815000000e-03  2.7316000000e-03  1.5044000000e-03 -2.9392000000e-03 -4.9784000000e-03 -5.1573000000e-03  2.8960000000e-04 -6.0530000000e-04  3.6275000000e-03  2.9026000000e-03 -1.3605000000e-03
+
+JOB 15
+COORDS  5.1878700000e-01 -5.8264900000e-01  1.0397080000e+00  4.2021500000e-01 -1.5345470000e+00  1.0598770000e+00  1.4184850000e+00 -4.2838900000e-01  1.3277690000e+00 -5.5651000000e-01  6.9435900000e-01 -1.0663250000e+00 -1.6373900000e-01  9.8010000000e-02 -4.2888400000e-01 -1.1686920000e+00  1.4868300000e-01 -1.5599880000e+00
+ENERGY -1.526591527935e+02
+FORCES  1.2842000000e-03  2.2037000000e-03 -3.0366000000e-03  4.7720000000e-04  5.4350000000e-03 -1.5861000000e-03 -4.7736000000e-03 -2.2657000000e-03 -8.7570000000e-04  5.2304000000e-03 -7.5150000000e-03  1.1635400000e-02 -4.6745000000e-03  2.1997000000e-03 -9.0699000000e-03  2.4563000000e-03 -5.7800000000e-05  2.9329000000e-03
+
+JOB 16
+COORDS -2.4550700000e-01  6.7163900000e-01 -1.1120200000e+00 -4.4755500000e-01  1.5932040000e+00 -1.2736590000e+00  6.8632600000e-01  5.9097800000e-01 -1.3155220000e+00  2.1262400000e-01 -7.0265800000e-01  1.2010070000e+00  4.3847000000e-02 -1.5608200000e-01  4.3354300000e-01  2.1673200000e-01 -1.5977790000e+00  8.6193000000e-01
+ENERGY -1.526592457748e+02
+FORCES  1.4336000000e-03  2.0143000000e-03  2.3466000000e-03  2.1924000000e-03 -4.7609000000e-03 -3.0400000000e-05 -5.8455000000e-03 -7.3480000000e-04  4.4252000000e-03 -5.8129000000e-03  5.4741000000e-03 -1.2152400000e-02  7.2741000000e-03 -5.0631000000e-03  5.3958000000e-03  7.5830000000e-04  3.0703000000e-03  1.5200000000e-05
+
+JOB 17
+COORDS -2.5354100000e-01 -6.5849000000e-01  1.1150870000e+00 -5.5640400000e-01 -4.3456000000e-02  1.7830980000e+00 -9.8272800000e-01 -1.2681740000e+00  1.0019390000e+00  2.9578100000e-01  7.1884700000e-01 -1.1697260000e+00  6.6006600000e-01 -2.5129000000e-02 -1.6493380000e+00  2.0880500000e-01  4.0481500000e-01 -2.6969800000e-01
+ENERGY -1.526593409105e+02
+FORCES -4.1057000000e-03  1.0221000000e-03 -4.4783000000e-03  1.5488000000e-03 -2.3781000000e-03 -5.3571000000e-03  3.6707000000e-03  2.8579000000e-03  1.8213000000e-03 -1.2694000000e-03 -1.1039200000e-02  1.2235900000e-02 -1.5009000000e-03  1.7658000000e-03  6.8150000000e-04  1.6564000000e-03  7.7715000000e-03 -4.9032000000e-03
+
+JOB 18
+COORDS  7.3180300000e-01  8.7371900000e-01  8.3284700000e-01  6.7150900000e-01  1.5324950000e+00  1.4103000000e-01  2.7470300000e-01  1.1102400000e-01  4.7846400000e-01 -7.2843500000e-01 -8.2909600000e-01 -7.3005600000e-01 -2.3069800000e-01 -1.6295350000e+00 -5.6336300000e-01 -7.8543600000e-01 -7.7623300000e-01 -1.6840940000e+00
+ENERGY -1.526569321414e+02
+FORCES -1.0111100000e-02 -5.9611000000e-03 -1.2088500000e-02  1.2364000000e-03 -3.6830000000e-04  2.0061000000e-03  5.6760000000e-03 -2.4827000000e-03  6.3074000000e-03  3.9978000000e-03  2.7123000000e-03 -1.8367000000e-03 -1.0706000000e-03  7.1536000000e-03  9.6020000000e-04  2.7160000000e-04 -1.0537000000e-03  4.6515000000e-03
+
+JOB 19
+COORDS -1.2630810000e+00 -1.3364400000e-01 -6.3028400000e-01 -1.3534270000e+00 -1.0009810000e+00 -2.3557400000e-01 -3.2883200000e-01  6.3960000000e-02 -5.6421300000e-01  1.1654820000e+00  1.2889700000e-01  5.8224500000e-01  1.0520980000e+00  9.8926500000e-01  9.8615400000e-01  2.1138360000e+00  4.8120000000e-03  5.4404400000e-01
+ENERGY -1.526596364134e+02
+FORCES  1.2746700000e-02 -3.1759000000e-03  6.6319000000e-03 -1.2367000000e-03  1.8626000000e-03 -1.5793000000e-03 -6.4779000000e-03  2.8572000000e-03 -3.0564000000e-03 -1.4709000000e-03  1.9208000000e-03  4.7100000000e-04  1.3794000000e-03 -4.5256000000e-03 -3.4173000000e-03 -4.9407000000e-03  1.0607000000e-03  9.5010000000e-04
+
+JOB 20
+COORDS -4.2561900000e-01  6.2107600000e-01 -1.1959340000e+00 -7.4906300000e-01  1.4654470000e+00 -8.8184300000e-01 -1.5800500000e-01  1.5655400000e-01 -4.0294400000e-01  4.2957400000e-01 -6.2095200000e-01  1.0564210000e+00 -3.0556900000e-01 -7.3078600000e-01  1.6595240000e+00  1.1952230000e+00 -9.0152800000e-01  1.5577100000e+00
+ENERGY -1.526593980850e+02
+FORCES  5.7074000000e-03 -4.1261000000e-03  1.1766000000e-02  6.1210000000e-04 -2.8464000000e-03  1.0250000000e-04 -6.2564000000e-03  3.2225000000e-03 -5.0239000000e-03  8.7190000000e-04  1.5853000000e-03 -3.3428000000e-03  4.1303000000e-03  1.4514000000e-03 -3.3018000000e-03 -5.0653000000e-03  7.1330000000e-04 -2.0000000000e-04
+
+JOB 21
+COORDS -3.3394000000e-01  5.5780100000e-01 -1.2343290000e+00 -1.2356800000e-01  1.4770730000e+00 -1.3983850000e+00  1.2744700000e-01  3.4719900000e-01 -4.2254100000e-01  2.6774500000e-01 -5.3471000000e-01  1.1947270000e+00  1.1441190000e+00 -7.3228400000e-01  1.5251300000e+00 -8.8956000000e-02 -1.3848280000e+00  9.3724600000e-01
+ENERGY -1.526606246737e+02
+FORCES  3.4081000000e-03 -2.0467000000e-03  1.2025900000e-02  4.2310000000e-04 -2.9605000000e-03  1.9778000000e-03 -1.3964000000e-03  2.7576000000e-03 -1.0439400000e-02 -1.3743000000e-03 -3.8624000000e-03 -2.0971000000e-03 -4.4063000000e-03  1.2537000000e-03 -2.7680000000e-03  3.3458000000e-03  4.8583000000e-03  1.3008000000e-03
+
+JOB 22
+COORDS  4.7448200000e-01  8.6374500000e-01 -8.8835700000e-01 -2.0153700000e-01  1.5408320000e+00 -9.1634300000e-01  1.2913760000e+00  1.3454490000e+00 -7.5844700000e-01 -5.2382400000e-01 -9.8820300000e-01  8.6390500000e-01 -1.5019500000e-01 -3.2325700000e-01  2.8556300000e-01 -2.2323700000e-01 -7.4176500000e-01  1.7386320000e+00
+ENERGY -1.526602293830e+02
+FORCES -9.2100000000e-05  7.8440000000e-04  2.3335000000e-03  4.2051000000e-03 -4.0273000000e-03  1.6471000000e-03 -4.9467000000e-03 -1.5448000000e-03 -3.2160000000e-04  7.2589000000e-03  9.8343000000e-03 -7.6219000000e-03 -6.1229000000e-03 -5.3301000000e-03  6.9758000000e-03 -3.0240000000e-04  2.8360000000e-04 -3.0128000000e-03
+
+JOB 23
+COORDS -2.6241000000e-02  1.2596670000e+00 -5.4512200000e-01 -5.8494800000e-01  1.1386900000e+00 -1.3128740000e+00 -6.3843300000e-01  1.3571490000e+00  1.8422700000e-01  5.8136000000e-02 -1.3189870000e+00  5.4888000000e-01 -2.6711800000e-01 -4.1958400000e-01  5.8783800000e-01  1.0079070000e+00 -1.2276230000e+00  4.7259800000e-01
+ENERGY -1.526519262225e+02
+FORCES -4.4587000000e-03 -4.0698000000e-03 -2.0404000000e-03  2.6150000000e-03  1.2188000000e-03  4.2600000000e-03  4.8286000000e-03 -8.2719000000e-03 -1.5231000000e-03  5.5201000000e-03  1.2349100000e-02 -6.6969000000e-03 -5.9879000000e-03  1.5068000000e-03  4.6934000000e-03 -2.5171000000e-03 -2.7329000000e-03  1.3070000000e-03
+
+JOB 24
+COORDS -1.8415000000e-01 -1.3805930000e+00  3.5972900000e-01 -2.9016500000e-01 -9.6845900000e-01  1.2171300000e+00 -1.3555100000e-01 -6.4794400000e-01 -2.5435200000e-01  1.4652000000e-01  1.2850880000e+00 -4.0953700000e-01  1.0615760000e+00  1.4399490000e+00 -6.4389100000e-01  5.8447000000e-02  1.6528480000e+00  4.6979700000e-01
+ENERGY -1.526579779178e+02
+FORCES  5.1250000000e-04  1.4653600000e-02 -2.2471000000e-03  4.0880000000e-04 -1.1265000000e-03 -1.0502000000e-03  1.5270000000e-04 -8.3832000000e-03  6.6210000000e-04  3.0683000000e-03 -7.9670000000e-04  4.7693000000e-03 -4.8300000000e-03 -1.4656000000e-03  1.6114000000e-03  6.8770000000e-04 -2.8815000000e-03 -3.7455000000e-03
+
+JOB 25
+COORDS -8.3302400000e-01  8.4822800000e-01 -7.6324900000e-01 -7.6999900000e-01  1.7331390000e+00 -4.0381600000e-01 -2.6055600000e-01  3.2137200000e-01 -2.0563400000e-01  7.3560400000e-01 -8.7553800000e-01  7.0793800000e-01  1.2410540000e+00 -2.7632800000e-01  1.2572100000e+00  1.3949880000e+00 -1.3579580000e+00  2.0922300000e-01
+ENERGY -1.526594741466e+02
+FORCES  7.2348000000e-03 -8.0922000000e-03  7.9938000000e-03  1.3325000000e-03 -3.5694000000e-03  2.7350000000e-04 -4.3610000000e-03  9.6910000000e-03 -4.2482000000e-03  2.6755000000e-03  2.8990000000e-04 -2.6104000000e-03 -3.9954000000e-03 -1.3208000000e-03 -4.8912000000e-03 -2.8864000000e-03  3.0016000000e-03  3.4826000000e-03
+
+JOB 26
+COORDS -9.7975100000e-01 -9.3874400000e-01  3.9587000000e-01 -1.7380070000e+00 -4.4336400000e-01  7.0551200000e-01 -3.1534000000e-01 -2.7342200000e-01  2.1660200000e-01  9.2115900000e-01  8.5643300000e-01 -4.2961900000e-01  1.1762460000e+00  1.6735880000e+00 -1.3440000000e-03  1.7165360000e+00  3.2391800000e-01 -4.2368700000e-01
+ENERGY -1.526603791057e+02
+FORCES  7.3247000000e-03  1.1711100000e-02 -4.1018000000e-03  2.6228000000e-03 -5.3500000000e-04 -7.1400000000e-04 -4.7956000000e-03 -8.4574000000e-03  3.6998000000e-03  9.1920000000e-04 -1.2508000000e-03  2.1163000000e-03 -9.0480000000e-04 -4.4804000000e-03 -2.1857000000e-03 -5.1663000000e-03  3.0125000000e-03  1.1854000000e-03
+
+JOB 27
+COORDS -5.3742500000e-01  3.6632300000e-01  1.1390710000e+00 -1.2805540000e+00  7.7696000000e-02  1.6688690000e+00  7.8277000000e-02  7.3724800000e-01  1.7711770000e+00  5.7335300000e-01 -3.2748500000e-01 -1.2582260000e+00  2.0984200000e-01 -1.1350600000e-01 -3.9897900000e-01  4.7921100000e-01 -1.2774240000e+00 -1.3288340000e+00
+ENERGY -1.526604003736e+02
+FORCES  6.0110000000e-04 -1.6779000000e-03 -1.9896000000e-03  4.3623000000e-03  1.9572000000e-03 -8.8790000000e-04 -3.7909000000e-03 -2.4544000000e-03 -2.8428000000e-03 -6.7010000000e-03  8.0600000000e-04  1.1961000000e-02  5.7945000000e-03 -1.1860000000e-03 -6.9497000000e-03 -2.6610000000e-04  2.5551000000e-03  7.0900000000e-04
+
+JOB 28
+COORDS  7.5099300000e-01  2.8920100000e-01  1.1123800000e+00  3.6204800000e-01  1.0270780000e+00  1.5819430000e+00  1.4168890000e+00  6.8617500000e-01  5.5092900000e-01 -8.0628500000e-01 -4.0547000000e-01 -1.1331680000e+00 -3.0365600000e-01 -4.1975200000e-01 -3.1867900000e-01 -6.1992300000e-01  4.5218600000e-01 -1.5151710000e+00
+ENERGY -1.526588914422e+02
+FORCES -7.0550000000e-04  4.5814000000e-03 -8.5600000000e-04  2.6620000000e-03 -3.1524000000e-03 -3.1943000000e-03 -5.5921000000e-03 -2.0607000000e-03  1.2737000000e-03  6.7421000000e-03  4.9437000000e-03  1.0494800000e-02 -3.2148000000e-03 -2.2438000000e-03 -8.7384000000e-03  1.0830000000e-04 -2.0681000000e-03  1.0203000000e-03
+
+JOB 29
+COORDS -4.7302300000e-01 -1.0531910000e+00 -7.2368700000e-01 -4.2466700000e-01 -8.8429800000e-01 -1.6646270000e+00 -1.4047820000e+00 -1.1893480000e+00 -5.5187600000e-01  5.4166700000e-01  1.0598300000e+00  8.2824700000e-01  6.6774600000e-01  1.6412200000e+00  7.8366000000e-02  1.0698000000e-02  3.4007700000e-01  4.8728000000e-01
+ENERGY -1.526587662257e+02
+FORCES -3.1180000000e-04  1.3078000000e-03 -3.5495000000e-03 -1.0223000000e-03 -6.1710000000e-04  4.7985000000e-03  5.5815000000e-03  2.7664000000e-03 -1.5700000000e-05 -3.7346000000e-03 -8.8549000000e-03 -9.9964000000e-03 -1.9380000000e-04 -1.2334000000e-03  1.8874000000e-03 -3.1910000000e-04  6.6312000000e-03  6.8757000000e-03
+
+JOB 30
+COORDS  1.7393300000e-01  1.0814830000e+00  8.5456500000e-01  2.5356200000e-01  1.6855990000e+00  1.1636900000e-01 -7.4353200000e-01  1.1461660000e+00  1.1197190000e+00 -1.5687400000e-01 -1.1497800000e+00 -8.8364800000e-01  6.1997300000e-01 -1.4615010000e+00 -4.1935200000e-01 -4.3256900000e-01 -3.7361000000e-01 -3.9601600000e-01
+ENERGY -1.526569742759e+02
+FORCES -7.2090000000e-04  3.1703000000e-03 -1.4663000000e-03 -1.7797000000e-03 -5.1802000000e-03  3.2773000000e-03  4.7266000000e-03 -3.3458000000e-03 -4.6323000000e-03  5.4622000000e-03  8.0481000000e-03  1.0788600000e-02 -1.9624000000e-03 -1.1994000000e-03 -2.8887000000e-03 -5.7258000000e-03 -1.4929000000e-03 -5.0786000000e-03
+
+JOB 31
+COORDS  1.2653500000e-01 -8.5352000000e-01 -1.1393550000e+00 -1.7889700000e-01 -2.1015200000e-01 -4.9980700000e-01  2.4528500000e-01 -3.5223700000e-01 -1.9461050000e+00 -1.2924300000e-01  7.4157100000e-01  1.1133420000e+00  6.3300000000e-02  7.0173800000e-01  2.0501300000e+00 -7.3249000000e-02  1.6721300000e+00  8.9618500000e-01
+ENERGY -1.526583738729e+02
+FORCES -7.7170000000e-04  6.6058000000e-03  8.2151000000e-03 -4.3920000000e-04 -1.6651000000e-03 -9.1605000000e-03 -4.7330000000e-04 -1.2550000000e-04  3.6761000000e-03  2.8235000000e-03 -2.1531000000e-03  1.2392000000e-03 -8.3370000000e-04  2.5044000000e-03 -3.8714000000e-03 -3.0570000000e-04 -5.1664000000e-03 -9.8500000000e-05
+
+JOB 32
+COORDS -7.3222600000e-01 -8.3550800000e-01  9.0507100000e-01 -3.5503400000e-01 -3.0848400000e-01  2.0065300000e-01 -1.6529630000e+00 -9.3558100000e-01  6.6328300000e-01  6.9834400000e-01  8.0919200000e-01 -8.5184100000e-01  1.3113260000e+00  1.9713500000e-01 -1.2591160000e+00  1.2563530000e+00  1.4557420000e+00 -4.1960200000e-01
+ENERGY -1.526616792841e+02
+FORCES  3.4977000000e-03  7.9382000000e-03 -8.0311000000e-03 -4.9244000000e-03 -8.6193000000e-03  5.3400000000e-03  3.2050000000e-03  9.4710000000e-04 -2.6130000000e-04  3.7866000000e-03  3.3580000000e-04  3.0732000000e-03 -3.7756000000e-03  2.7864000000e-03  3.1059000000e-03 -1.7893000000e-03 -3.3882000000e-03 -3.2268000000e-03
+
+JOB 33
+COORDS  7.6450500000e-01 -3.1135400000e-01 -1.0879280000e+00  9.6812000000e-01 -1.2421080000e+00 -1.1799530000e+00  1.6125810000e+00  1.0606300000e-01 -9.3705300000e-01 -8.8244400000e-01  3.4366500000e-01  1.0743120000e+00 -2.2888100000e-01  7.7087000000e-02  4.2776500000e-01 -3.7758000000e-01  5.1509100000e-01  1.8692690000e+00
+ENERGY -1.526601283841e+02
+FORCES  2.2759000000e-03 -1.6731000000e-03 -6.2500000000e-04 -4.7380000000e-04  5.4034000000e-03  1.2859000000e-03 -5.1656000000e-03 -2.7661000000e-03  1.2125000000e-03  7.9336000000e-03 -2.8059000000e-03 -8.6519000000e-03 -4.4658000000e-03  2.6141000000e-03  1.0382700000e-02 -1.0430000000e-04 -7.7240000000e-04 -3.6041000000e-03
+
+JOB 34
+COORDS  7.4438000000e-02  1.0139390000e+00 -8.9005300000e-01  7.8379400000e-01  1.0852330000e+00 -1.5287720000e+00  5.4068000000e-02  1.8677020000e+00 -4.5772800000e-01 -6.6823000000e-02 -1.1162510000e+00  8.9487600000e-01 -7.8046000000e-01 -1.0430230000e+00  1.5285900000e+00 -1.3160600000e-01 -3.2011000000e-01  3.6743500000e-01
+ENERGY -1.526606586187e+02
+FORCES  4.2715000000e-03 -7.0090000000e-04 -2.1200000000e-04 -3.7021000000e-03  1.6349000000e-03  2.9622000000e-03  1.0050000000e-04 -5.0273000000e-03 -1.5010000000e-03 -1.0246000000e-03  8.7977000000e-03 -7.5108000000e-03  2.1552000000e-03  1.5634000000e-03 -2.5033000000e-03 -1.8004000000e-03 -6.2679000000e-03  8.7650000000e-03
+
+JOB 35
+COORDS -9.1757000000e-02 -5.0036400000e-01 -1.2594610000e+00 -8.8845300000e-01 -1.0206710000e+00 -1.1555930000e+00 -2.1830800000e-01 -2.9529000000e-02 -2.0831910000e+00  1.5956200000e-01  5.6969600000e-01  1.3109360000e+00  5.5527800000e-01 -5.6730000000e-02  7.0494100000e-01 -5.2991800000e-01  7.3772000000e-02  1.7524200000e+00
+ENERGY -1.526555000123e+02
+FORCES -4.0407000000e-03  4.6922000000e-03  8.8280000000e-04  3.7802000000e-03  1.9056000000e-03  4.4000000000e-04 -3.1480000000e-04 -2.8170000000e-03  3.0355000000e-03 -1.7490000000e-03 -5.8704000000e-03 -9.6954000000e-03  6.2110000000e-04  7.5780000000e-04  7.3888000000e-03  1.7032000000e-03  1.3317000000e-03 -2.0517000000e-03
+
+JOB 36
+COORDS  6.5584000000e-01  7.5029600000e-01  1.0124700000e+00  1.0557500000e-01  3.1705000000e-02  7.0091300000e-01  3.8313300000e-01  8.8531900000e-01  1.9200120000e+00 -5.7127100000e-01 -7.6599800000e-01 -1.0062530000e+00 -1.4974400000e+00 -5.4214300000e-01 -9.1497600000e-01 -2.6691800000e-01 -2.3335600000e-01 -1.7410280000e+00
+ENERGY -1.526595676834e+02
+FORCES -3.8592000000e-03 -6.6763000000e-03 -4.7536000000e-03  1.6825000000e-03  6.0885000000e-03  8.4854000000e-03 -8.1910000000e-04 -1.6372000000e-03 -4.1040000000e-03  6.3060000000e-04  6.0851000000e-03 -3.9254000000e-03  5.1727000000e-03 -4.9640000000e-04  1.6917000000e-03 -2.8075000000e-03 -3.3637000000e-03  2.6060000000e-03
+
+JOB 37
+COORDS -6.0832500000e-01 -1.1880800000e+00  2.1952900000e-01 -1.3911420000e+00 -1.7316900000e+00  1.3053900000e-01  1.1887400000e-01 -1.7824520000e+00  3.4773000000e-02  6.3007900000e-01  1.2733740000e+00 -2.6739200000e-01  8.6632200000e-01  1.7469110000e+00  5.3022000000e-01  8.9149000000e-02  5.4484100000e-01  3.7346000000e-02
+ENERGY -1.526614162190e+02
+FORCES  2.8660000000e-04 -9.7420000000e-04 -2.5567000000e-03  4.5421000000e-03  7.4820000000e-04  3.7700000000e-04 -4.4371000000e-03  2.4104000000e-03  1.2841000000e-03 -5.8299000000e-03 -7.1365000000e-03  3.8322000000e-03 -1.0749000000e-03 -2.3590000000e-03 -2.0625000000e-03  6.5132000000e-03  7.3111000000e-03 -8.7390000000e-04
+
+JOB 38
+COORDS  4.4372700000e-01  1.1895630000e+00  4.8796500000e-01  1.3854150000e+00  1.1040220000e+00  6.3675200000e-01  1.3411300000e-01  1.7303620000e+00  1.2145380000e+00 -5.3643200000e-01 -1.2024680000e+00 -5.7542800000e-01 -1.0986600000e-01 -2.0502830000e+00 -4.5100100000e-01 -1.1999000000e-02 -5.9166300000e-01 -5.7626000000e-02
+ENERGY -1.526587872132e+02
+FORCES -8.6350000000e-04  2.3996000000e-03  2.4344000000e-03 -5.7672000000e-03 -2.1994000000e-03 -5.3260000000e-04  2.8424000000e-03 -1.9833000000e-03 -3.5419000000e-03  3.4251000000e-03  7.6282000000e-03  4.5680000000e-03 -8.7900000000e-05  4.2065000000e-03  5.2400000000e-04  4.5110000000e-04 -1.0051600000e-02 -3.4519000000e-03
+
+JOB 39
+COORDS -1.4200980000e+00  4.4480000000e-03 -2.2176400000e-01 -5.6393500000e-01  1.6326400000e-01  1.7572100000e-01 -2.0454730000e+00  1.5553300000e-01  4.8697500000e-01  1.3806840000e+00  1.4568000000e-02  2.0320100000e-01  1.7030140000e+00  3.1425300000e-01 -6.4681300000e-01  1.5257660000e+00 -9.3153700000e-01  1.9490300000e-01
+ENERGY -1.526618084771e+02
+FORCES  8.9176000000e-03  1.6075000000e-03  3.8539000000e-03 -1.1183400000e-02 -7.9190000000e-04 -1.5401000000e-03  3.4856000000e-03 -5.9300000000e-04 -1.4813000000e-03  1.0542000000e-03 -3.2475000000e-03 -5.2587000000e-03 -1.3898000000e-03 -1.9682000000e-03  4.3875000000e-03 -8.8430000000e-04  4.9930000000e-03  3.8700000000e-05
+
+JOB 40
+COORDS  4.0907800000e-01 -1.2806970000e+00  1.9525300000e-01  1.3432130000e+00 -1.1714970000e+00  3.7329400000e-01  2.7171200000e-01 -2.2279200000e+00  2.0670700000e-01 -4.5045400000e-01  1.3544420000e+00 -2.6254800000e-01 -6.6308200000e-01  1.7931270000e+00  5.6120900000e-01 -3.0113500000e-01  4.4148700000e-01 -1.6684000000e-02
+ENERGY -1.526610844515e+02
+FORCES  9.1510000000e-04 -8.7330000000e-04 -1.0020000000e-03 -5.0526000000e-03 -1.2064000000e-03 -2.7540000000e-04  2.6378000000e-03  3.8488000000e-03  3.9720000000e-04  6.5450000000e-04 -9.2867000000e-03  3.4132000000e-03  1.1870000000e-03 -2.0626000000e-03 -2.1686000000e-03 -3.4180000000e-04  9.5802000000e-03 -3.6430000000e-04
+
+JOB 41
+COORDS -3.5221700000e-01 -5.0493900000e-01  1.2144030000e+00  2.5279900000e-01 -2.6589500000e-01  1.9165740000e+00 -1.1726100000e+00 -7.0867300000e-01  1.6634910000e+00  3.4623800000e-01  5.0475700000e-01 -1.3408040000e+00  1.1484460000e+00  8.7859300000e-01 -9.7619300000e-01 -9.8356000000e-02  1.1177200000e-01 -5.8971800000e-01
+ENERGY -1.526599728500e+02
+FORCES  5.8540000000e-04  1.4685000000e-03  1.6691000000e-03 -3.3413000000e-03 -1.1737000000e-03 -2.8563000000e-03  4.4391000000e-03  1.1283000000e-03 -1.4397000000e-03 -9.3970000000e-04 -3.3741000000e-03  1.1904200000e-02 -1.6637000000e-03 -7.1310000000e-04 -1.1070000000e-03  9.2020000000e-04  2.6641000000e-03 -8.1702000000e-03
+
+JOB 42
+COORDS -1.6995900000e-01 -1.4493450000e+00 -2.9316500000e-01 -4.6330000000e-01 -1.4874850000e+00  6.1718000000e-01  3.2711000000e-02 -5.2568200000e-01 -4.4150000000e-01  1.6515600000e-01  1.3762770000e+00  1.8464300000e-01  9.6814000000e-01  1.3958940000e+00  7.0528000000e-01 -5.0230400000e-01  1.7520370000e+00  7.5869300000e-01
+ENERGY -1.526596784157e+02
+FORCES -4.4370000000e-04  1.1768400000e-02  3.9685000000e-03  7.1850000000e-04 -8.8470000000e-04 -1.9479000000e-03  1.2503000000e-03 -8.5200000000e-03 -2.0704000000e-03 -7.2020000000e-04  8.2910000000e-04  4.2455000000e-03 -4.7415000000e-03 -1.1339000000e-03 -2.3379000000e-03  3.9366000000e-03 -2.0589000000e-03 -1.8580000000e-03
+
+JOB 43
+COORDS -4.6104400000e-01  1.2089570000e+00  6.4270500000e-01 -4.9239800000e-01  1.4018060000e+00  1.5797520000e+00 -2.9373800000e-01  2.6760600000e-01  5.9688900000e-01  4.9686500000e-01 -1.1127070000e+00 -6.8313800000e-01 -8.6387000000e-02 -1.2340750000e+00 -1.4323500000e+00  3.5148400000e-01 -1.8860170000e+00 -1.3807900000e-01
+ENERGY -1.526578139009e+02
+FORCES  4.0240000000e-03 -7.1882000000e-03 -2.3072000000e-03  7.3710000000e-04 -2.5637000000e-03 -3.4230000000e-03 -5.1503000000e-03  5.4890000000e-03  6.7728000000e-03 -1.8378000000e-03 -1.9625000000e-03 -4.6775000000e-03  2.9376000000e-03 -2.3200000000e-04  4.3164000000e-03 -7.1060000000e-04  6.4573000000e-03 -6.8140000000e-04
+
+JOB 44
+COORDS  1.0702120000e+00  1.2739500000e-01  1.0201500000e+00  1.5719320000e+00  8.5955700000e-01  6.6175500000e-01  4.2193200000e-01 -7.2647000000e-02  3.4491100000e-01 -9.9620000000e-01 -1.5499000000e-01 -9.7625300000e-01 -1.6643110000e+00 -7.6960700000e-01 -1.2797390000e+00 -1.4217950000e+00  3.3346700000e-01 -2.7161800000e-01
+ENERGY -1.526596976832e+02
+FORCES -2.5414000000e-03 -1.0336000000e-03 -9.2687000000e-03 -2.1642000000e-03 -2.0279000000e-03  1.3593000000e-03  1.1307000000e-03  5.0171000000e-03  8.5173000000e-03 -4.5266000000e-03 -1.9294000000e-03  4.0650000000e-04  2.1046000000e-03  3.9897000000e-03  1.5975000000e-03  5.9969000000e-03 -4.0159000000e-03 -2.6120000000e-03
+
+JOB 45
+COORDS -9.9684200000e-01 -9.7051800000e-01 -1.0930200000e-01 -1.6996550000e+00 -1.2845140000e+00  4.5963700000e-01 -1.4487000000e+00 -6.0958800000e-01 -8.7205000000e-01  1.1348550000e+00  9.5562600000e-01  1.1217200000e-01  7.2034000000e-01  1.7526070000e+00  4.4267200000e-01  4.0658100000e-01  3.5625900000e-01 -5.0951000000e-02
+ENERGY -1.526596799339e+02
+FORCES -3.6702000000e-03 -1.0898000000e-03  1.8964000000e-03  2.2165000000e-03  1.3736000000e-03 -4.0058000000e-03  3.7006000000e-03  1.3420000000e-04  5.1142000000e-03 -8.5546000000e-03 -5.4568000000e-03  1.9308000000e-03  7.7260000000e-04 -2.5633000000e-03 -1.2705000000e-03  5.5351000000e-03  7.6021000000e-03 -3.6651000000e-03
+
+JOB 46
+COORDS -1.4608100000e-01 -1.0181280000e+00  1.0664990000e+00  4.2319500000e-01 -8.1051300000e-01  1.8074800000e+00  1.0915000000e-02 -3.1314700000e-01  4.3833900000e-01  6.8727000000e-02  9.2960200000e-01 -1.0295260000e+00  3.4361300000e-01  6.8833200000e-01 -1.9140920000e+00  4.3116900000e-01  1.8054230000e+00 -8.9608600000e-01
+ENERGY -1.526612237059e+02
+FORCES  2.1062000000e-03  7.6335000000e-03 -5.9742000000e-03 -1.5241000000e-03  3.4500000000e-04 -2.7655000000e-03 -1.0860000000e-04 -6.6550000000e-03  8.4270000000e-03  1.6456000000e-03  6.6930000000e-04 -2.9408000000e-03 -9.7260000000e-04  2.6176000000e-03  4.0689000000e-03 -1.1465000000e-03 -4.6105000000e-03 -8.1540000000e-04
+
+JOB 47
+COORDS -2.2569200000e-01  1.4979970000e+00 -1.8948000000e-02  6.1109600000e-01  1.3207500000e+00  4.1070300000e-01 -6.1889300000e-01  6.3430700000e-01 -1.4410900000e-01  2.0904000000e-01 -1.3840720000e+00  4.3229000000e-02  7.0351900000e-01 -1.5858030000e+00 -7.5114300000e-01 -4.1729200000e-01 -2.1032560000e+00  1.2516800000e-01
+ENERGY -1.526594323728e+02
+FORCES  3.1931000000e-03 -1.1468200000e-02  2.7239000000e-03 -1.2333000000e-03  3.1977000000e-03 -1.6171000000e-03 -2.8936000000e-03  6.5039000000e-03 -1.6230000000e-03  1.1225000000e-03 -3.4921000000e-03 -2.4574000000e-03 -2.7196000000e-03  1.0372000000e-03  4.1138000000e-03  2.5309000000e-03  4.2214000000e-03 -1.1402000000e-03
+
+JOB 48
+COORDS  3.1076100000e-01 -1.3236630000e+00 -3.1322100000e-01  1.1940820000e+00 -1.6266340000e+00 -5.2342400000e-01 -2.5776500000e-01 -1.8071660000e+00 -9.1258300000e-01 -2.9795500000e-01  1.4271030000e+00  3.9943800000e-01  1.3751200000e-01  6.2762400000e-01  1.0374700000e-01 -1.2019060000e+00  1.3331960000e+00  9.8963000000e-02
+ENERGY -1.526600431250e+02
+FORCES -2.6820000000e-04 -2.7798000000e-03 -2.6065000000e-03 -4.6570000000e-03  1.9608000000e-03  6.7660000000e-04  3.0943000000e-03  2.0187000000e-03  2.7818000000e-03 -7.1520000000e-04 -1.1052000000e-02 -3.3629000000e-03  4.7720000000e-04  8.9341000000e-03  1.7928000000e-03  2.0689000000e-03  9.1820000000e-04  7.1820000000e-04
+
+JOB 49
+COORDS -6.1245600000e-01  1.2060570000e+00 -3.9459000000e-01 -8.9666300000e-01  1.8762760000e+00  2.2691200000e-01  4.5277000000e-02  1.6435230000e+00 -9.3518500000e-01  5.5768100000e-01 -1.3330050000e+00  4.1826600000e-01  1.3208980000e+00 -1.2836610000e+00 -1.5731700000e-01  2.9671100000e-01 -4.2146100000e-01  5.4946900000e-01
+ENERGY -1.526579263609e+02
+FORCES  2.0200000000e-05  4.1724000000e-03 -2.4322000000e-03  2.4365000000e-03 -4.3437000000e-03 -2.5020000000e-03 -2.5216000000e-03 -2.8077000000e-03  3.5302000000e-03 -2.5453000000e-03  9.4824000000e-03 -4.6164000000e-03 -2.1061000000e-03 -1.1100000000e-05  1.6179000000e-03  4.7162000000e-03 -6.4923000000e-03  4.4025000000e-03
+
+JOB 50
+COORDS  7.1658600000e-01  1.1266000000e+00  6.3523700000e-01  7.1814000000e-02  4.2767800000e-01  5.2564900000e-01  4.3260400000e-01  1.5940860000e+00  1.4207580000e+00 -6.1901600000e-01 -1.1142350000e+00 -6.2177000000e-01 -4.7717500000e-01 -1.4101040000e+00 -1.5209780000e+00 -1.5213140000e+00 -7.9482200000e-01 -6.1373200000e-01
+ENERGY -1.526583579498e+02
+FORCES -3.2724000000e-03 -6.3287000000e-03 -1.3393000000e-03  9.7500000000e-05  8.2596000000e-03  5.3031000000e-03 -3.9550000000e-04 -2.6855000000e-03 -3.2790000000e-03  3.3890000000e-04  1.3340000000e-04 -6.3296000000e-03 -2.3644000000e-03  3.4870000000e-04  3.8576000000e-03  5.5959000000e-03  2.7250000000e-04  1.7872000000e-03
+
+JOB 51
+COORDS -6.8182800000e-01  7.3197200000e-01 -1.1453090000e+00 -1.4153080000e+00  1.1877100000e-01 -1.1924690000e+00 -1.0269300000e-01  3.6258900000e-01 -4.7868300000e-01  7.1433500000e-01 -6.0856700000e-01  1.0949200000e+00 -1.2997500000e-01 -8.6475400000e-01  1.4660550000e+00  1.1690230000e+00 -1.4363180000e+00  9.3897500000e-01
+ENERGY -1.526599864174e+02
+FORCES  4.0693000000e-03 -5.8478000000e-03  6.5543000000e-03  2.2309000000e-03  1.6131000000e-03  9.7330000000e-04 -6.8057000000e-03  3.8980000000e-03 -6.8123000000e-03 -1.3090000000e-04 -5.0397000000e-03  2.6375000000e-03  3.7703000000e-03  1.4578000000e-03 -4.2819000000e-03 -3.1339000000e-03  3.9186000000e-03  9.2890000000e-04
+
+JOB 52
+COORDS  3.5813700000e-01  1.4791910000e+00 -5.1578000000e-02  2.3070900000e-01  5.3174100000e-01 -9.9868000000e-02 -4.1459600000e-01  1.8474120000e+00 -4.7998100000e-01 -2.6806800000e-01 -1.4076250000e+00  3.4075000000e-02 -1.2006380000e+00 -1.3138250000e+00  2.2835700000e-01  1.9272000000e-02 -2.1371300000e+00  5.8315700000e-01
+ENERGY -1.526605043549e+02
+FORCES -2.3608000000e-03 -8.2944000000e-03 -1.6551000000e-03 -5.8660000000e-04  1.0312500000e-02 -5.0670000000e-04  1.7803000000e-03 -1.9926000000e-03  1.8277000000e-03 -1.1159000000e-03 -3.4755000000e-03  4.1784000000e-03  5.0113000000e-03  7.6270000000e-04 -1.2321000000e-03 -2.7283000000e-03  2.6873000000e-03 -2.6121000000e-03
+
+JOB 53
+COORDS -6.7426900000e-01  1.3192660000e+00  3.6593000000e-02 -5.6844400000e-01  1.5325270000e+00  9.6371400000e-01 -8.2010000000e-03  1.8437260000e+00 -4.0784600000e-01  6.1022600000e-01 -1.4200000000e+00 -3.4424000000e-02  1.0338800000e-01 -6.2796300000e-01 -2.1337700000e-01  1.4503040000e+00 -1.2704530000e+00 -4.6817100000e-01
+ENERGY -1.526602564244e+02
+FORCES  2.0791000000e-03  5.0527000000e-03  4.1052000000e-03 -2.3900000000e-04 -5.0880000000e-04 -5.0930000000e-03 -2.3815000000e-03 -4.1919000000e-03  2.0799000000e-03 -2.4297000000e-03  7.9264000000e-03 -2.0814000000e-03  5.7539000000e-03 -8.6207000000e-03 -5.2070000000e-04 -2.7828000000e-03  3.4230000000e-04  1.5100000000e-03
+
+JOB 54
+COORDS -1.0507380000e+00  6.5408600000e-01  9.1695700000e-01 -5.7870800000e-01  1.2389510000e+00  1.5097080000e+00 -3.6591600000e-01  2.4409100000e-01  3.8860600000e-01  9.6714800000e-01 -5.9479100000e-01 -9.1251000000e-01  4.5486600000e-01 -1.2872850000e+00 -1.3299440000e+00  1.7749130000e+00 -1.0274280000e+00 -6.3579400000e-01
+ENERGY -1.526615127940e+02
+FORCES  8.3292000000e-03 -1.1766000000e-03 -3.8525000000e-03 -1.1788000000e-03 -2.0169000000e-03 -1.6396000000e-03 -8.1888000000e-03  2.9282000000e-03  5.9631000000e-03  2.3220000000e-03 -5.0770000000e-03 -1.8754000000e-03  2.6963000000e-03  3.5438000000e-03  3.0250000000e-03 -3.9800000000e-03  1.7984000000e-03 -1.6206000000e-03
+
+JOB 55
+COORDS -7.9271000000e-01 -1.1872240000e+00 -5.6746000000e-01 -4.8926900000e-01 -4.6938600000e-01 -1.1705000000e-02 -1.0295720000e+00 -1.8823930000e+00  4.6436000000e-02  7.6719700000e-01  1.1459860000e+00  5.5463400000e-01  1.5030680000e+00  1.0233270000e+00 -4.5100000000e-02  3.8733800000e-01  1.9867630000e+00  2.9961900000e-01
+ENERGY -1.526618147307e+02
+FORCES  2.6413000000e-03  4.1755000000e-03  6.0625000000e-03 -5.2525000000e-03 -7.8896000000e-03 -4.6759000000e-03  1.0791000000e-03  2.6860000000e-03 -1.6742000000e-03  3.6811000000e-03  4.3061000000e-03 -3.7582000000e-03 -3.9303000000e-03  1.0894000000e-03  3.1155000000e-03  1.7814000000e-03 -4.3674000000e-03  9.3020000000e-04
+
+JOB 56
+COORDS  3.9933600000e-01  5.5372600000e-01  1.3074070000e+00  1.2522480000e+00  1.3299500000e-01  1.4158460000e+00 -7.2300000000e-04  5.1258800000e-01  2.1760220000e+00 -4.1162100000e-01 -5.9273600000e-01 -1.3723850000e+00  2.1743000000e-02 -1.8731000000e-02 -7.4076400000e-01 -1.0601730000e+00 -3.3186000000e-02 -1.7996040000e+00
+ENERGY -1.526593484731e+02
+FORCES -7.5600000000e-04 -3.0066000000e-03  5.2879000000e-03 -4.3508000000e-03  2.0124000000e-03 -1.5959000000e-03  2.9422000000e-03  5.0020000000e-04 -2.8680000000e-03 -6.7780000000e-04  5.9470000000e-03  5.7898000000e-03  9.1770000000e-04 -3.5322000000e-03 -8.0454000000e-03  1.9247000000e-03 -1.9209000000e-03  1.4316000000e-03
+
+JOB 57
+COORDS  6.7366100000e-01  1.3139130000e+00  1.3375500000e-01  3.5043100000e-01  1.8628340000e+00 -5.8069600000e-01  1.6201720000e+00  1.2743820000e+00 -3.3080000000e-03 -7.0093200000e-01 -1.3926500000e+00 -1.2619800000e-01 -1.2055900000e+00 -1.4231710000e+00  6.8658800000e-01 -3.6805900000e-01 -4.9619000000e-01 -1.6848200000e-01
+ENERGY -1.526612757899e+02
+FORCES  5.1178000000e-03  3.5550000000e-03 -2.0931000000e-03  1.2254000000e-03 -4.1585000000e-03  3.2899000000e-03 -4.7904000000e-03  9.8690000000e-04  2.3330000000e-04  2.4779000000e-03  7.8639000000e-03  4.1683000000e-03  1.3197000000e-03 -2.0200000000e-04 -2.6565000000e-03 -5.3504000000e-03 -8.0453000000e-03 -2.9419000000e-03
+
+JOB 58
+COORDS  1.1396280000e+00 -1.0603290000e+00 -6.5713000000e-02  6.7721500000e-01 -1.0383100000e+00  7.7209400000e-01  4.9928900000e-01 -1.4122170000e+00 -6.8407600000e-01 -1.0674830000e+00  1.1370170000e+00  8.9631000000e-02 -7.1286500000e-01  9.4805100000e-01 -7.7914400000e-01 -1.5473360000e+00  3.4459100000e-01  3.3053600000e-01
+ENERGY -1.526523325117e+02
+FORCES -4.9971000000e-03  9.6120000000e-04  2.9740000000e-03  1.3043000000e-03 -2.1123000000e-03 -3.6936000000e-03  1.5113000000e-03  3.1026000000e-03  2.0446000000e-03  2.7794000000e-03 -4.3877000000e-03 -3.6717000000e-03 -3.6682000000e-03  5.0680000000e-04  2.6646000000e-03  3.0704000000e-03  1.9294000000e-03 -3.1790000000e-04
+
+JOB 59
+COORDS  8.3732800000e-01  4.7331400000e-01 -1.1851850000e+00  1.6197840000e+00 -7.7382000000e-02 -1.1581900000e+00  9.5641700000e-01  1.0948610000e+00 -4.6704200000e-01 -8.4392600000e-01 -5.1609900000e-01  1.1675590000e+00 -9.3033500000e-01 -1.5327300000e-01  2.8601400000e-01 -1.6148740000e+00 -1.9553300000e-01  1.6356490000e+00
+ENERGY -1.526589249130e+02
+FORCES  6.1044000000e-03 -1.1083000000e-03  4.1070000000e-03 -2.7192000000e-03  3.0683000000e-03 -7.9400000000e-04 -2.2002000000e-03 -2.5073000000e-03 -3.8559000000e-03 -2.1730000000e-03  1.1114000000e-03 -4.6761000000e-03 -2.4184000000e-03 -1.4710000000e-04  7.7438000000e-03  3.4064000000e-03 -4.1710000000e-04 -2.5248000000e-03
+
+JOB 60
+COORDS -2.6369000000e-02  1.2437390000e+00  9.8017100000e-01  1.4906100000e-01  4.8623300000e-01  4.2192300000e-01 -3.7081500000e-01  8.6960100000e-01  1.7911020000e+00  4.8158000000e-02 -1.1147680000e+00 -9.5862400000e-01 -6.7368900000e-01 -1.2941090000e+00 -1.5611220000e+00  5.8828500000e-01 -1.9044170000e+00 -9.8942400000e-01
+ENERGY -1.526612353618e+02
+FORCES -5.6130000000e-04 -7.6241000000e-03 -2.5995000000e-03  2.3070000000e-04  7.3043000000e-03  6.3361000000e-03  1.0822000000e-03  1.2171000000e-03 -2.4055000000e-03 -1.4675000000e-03 -3.5387000000e-03 -3.6573000000e-03  3.8049000000e-03 -5.7690000000e-04  2.4477000000e-03 -3.0890000000e-03  3.2183000000e-03 -1.2150000000e-04
+
+JOB 61
+COORDS -7.4823200000e-01  1.3278390000e+00 -1.9076800000e-01  2.0025000000e-02  1.8414600000e+00  5.8643000000e-02 -1.4098770000e+00  1.5525960000e+00  4.6340500000e-01  7.8947600000e-01 -1.4033950000e+00  1.8429600000e-01  3.9532000000e-01 -1.7571200000e+00 -6.1304400000e-01  4.4483900000e-01 -5.1263700000e-01  2.4759800000e-01
+ENERGY -1.526598660671e+02
+FORCES -2.3657000000e-03  5.9672000000e-03  2.6298000000e-03 -3.3454000000e-03 -5.0309000000e-03 -4.2920000000e-04  3.6465000000e-03 -9.0810000000e-04 -3.1100000000e-03 -6.2640000000e-03  5.2521000000e-03 -4.2413000000e-03  1.9010000000e-03 -4.4900000000e-05  2.6841000000e-03  6.4275000000e-03 -5.2355000000e-03  2.4665000000e-03
+
+JOB 62
+COORDS  1.1122840000e+00  2.8239000000e-01 -1.0279170000e+00  9.9380400000e-01  1.1517950000e+00 -6.4538900000e-01  1.2629070000e+00  4.4815900000e-01 -1.9585440000e+00 -1.1747220000e+00 -3.6063400000e-01  1.0661840000e+00 -4.0348000000e-01 -8.8018200000e-01  1.2930920000e+00 -8.2011300000e-01  4.7346100000e-01  7.5833600000e-01
+ENERGY -1.526536548855e+02
+FORCES  1.2830000000e-04  3.5942000000e-03 -4.1854000000e-03 -1.7008000000e-03 -4.6989000000e-03  4.2630000000e-04 -4.8260000000e-04 -5.6020000000e-04  4.2408000000e-03  7.3197000000e-03 -1.9800000000e-04 -4.2431000000e-03 -3.9422000000e-03  1.7784000000e-03  1.4272000000e-03 -1.3224000000e-03  8.4500000000e-05  2.3343000000e-03
+
+JOB 63
+COORDS -7.5974600000e-01 -1.1877250000e+00  8.5683000000e-01 -6.1945000000e-02 -1.2963580000e+00  2.1068400000e-01 -1.2544070000e+00 -4.2771200000e-01  5.5036300000e-01  6.9184700000e-01  1.1605870000e+00 -8.2909300000e-01  1.1614740000e+00  1.6931230000e+00 -1.8715300000e-01  1.2360340000e+00  3.8070600000e-01 -9.3808300000e-01
+ENERGY -1.526553174531e+02
+FORCES  9.5060000000e-04  6.1957000000e-03 -5.7539000000e-03 -6.0000000000e-05 -1.0109000000e-03  1.9068000000e-03 -1.6250000000e-04 -4.5456000000e-03  2.8893000000e-03  5.5361000000e-03  2.4830000000e-04  3.0114000000e-03 -2.1037000000e-03 -2.2268000000e-03 -3.2711000000e-03 -4.1605000000e-03  1.3394000000e-03  1.2175000000e-03
+
+JOB 64
+COORDS  6.6409400000e-01  8.6221000000e-01  1.0978670000e+00  6.3449300000e-01  1.3177880000e+00  1.9391780000e+00  1.3720990000e+00  2.2534000000e-01  1.1946040000e+00 -6.5464500000e-01 -8.7140000000e-01 -1.1880560000e+00 -1.6010550000e+00 -9.8509000000e-01 -1.2753160000e+00 -5.4539700000e-01 -3.8948600000e-01 -3.6826600000e-01
+ENERGY -1.526600078852e+02
+FORCES  4.3336000000e-03  1.2283000000e-03  4.8541000000e-03  9.0520000000e-04 -2.1221000000e-03 -3.5451000000e-03 -4.4034000000e-03  2.8166000000e-03 -1.3170000000e-04 -2.1106000000e-03  4.0974000000e-03  4.4883000000e-03  3.2096000000e-03  5.3740000000e-04  5.3650000000e-04 -1.9344000000e-03 -6.5576000000e-03 -6.2021000000e-03
+
+JOB 65
+COORDS  5.4467500000e-01  4.0501900000e-01  1.5280040000e+00 -1.9140200000e-01  1.8547200000e-01  9.5684600000e-01  1.3057990000e+00  1.2895000000e-02  1.1000300000e+00 -5.4324600000e-01 -3.8234100000e-01 -1.4088910000e+00 -3.6790200000e-01  4.5799800000e-01 -1.8323500000e+00 -7.5330300000e-01 -9.7539000000e-01 -2.1302790000e+00
+ENERGY -1.526594056492e+02
+FORCES -1.0658000000e-03 -4.5856000000e-03 -6.6656000000e-03  2.6574000000e-03  3.2656000000e-03  5.5223000000e-03 -1.2622000000e-03  2.1423000000e-03  2.6353000000e-03 -8.3570000000e-04  2.2870000000e-04 -6.1173000000e-03 -7.9350000000e-04 -4.1744000000e-03  2.0661000000e-03  1.2998000000e-03  3.1234000000e-03  2.5592000000e-03
+
+JOB 66
+COORDS  1.3730300000e-01  1.1261040000e+00  1.2128700000e+00 -6.8576800000e-01  1.0284020000e+00  1.6916610000e+00  1.1386900000e-01  4.3438700000e-01  5.5165100000e-01 -6.7056000000e-02 -1.1138100000e+00 -1.1512560000e+00 -9.7950100000e-01 -8.3822600000e-01 -1.2391660000e+00  3.3914200000e-01 -8.6756100000e-01 -1.9822780000e+00
+ENERGY -1.526593143581e+02
+FORCES -1.6112000000e-03 -5.8277000000e-03 -2.2701000000e-03  2.4842000000e-03  2.8170000000e-04 -2.3733000000e-03 -1.9755000000e-03  7.2962000000e-03  5.8680000000e-03 -1.5085000000e-03 -4.4510000000e-04 -7.4646000000e-03  5.0608000000e-03 -1.5000000000e-05  2.3665000000e-03 -2.4497000000e-03 -1.2902000000e-03  3.8735000000e-03
+
+JOB 67
+COORDS -5.9243000000e-02 -8.3619400000e-01 -1.4860340000e+00  5.8403100000e-01 -4.4907400000e-01 -2.0798090000e+00 -5.4958000000e-02 -2.6201900000e-01 -7.2017700000e-01  2.4996000000e-02  7.2216700000e-01  1.4534100000e+00  1.1301100000e-01  1.5692730000e+00  1.0164930000e+00 -1.1089100000e-01  9.4064100000e-01  2.3753840000e+00
+ENERGY -1.526573104124e+02
+FORCES  2.4487000000e-03  2.9595000000e-03  3.5987000000e-03 -2.5189000000e-03 -8.8640000000e-04  2.3860000000e-03  2.2980000000e-04 -8.5950000000e-04 -7.9801000000e-03 -7.9260000000e-04  3.9260000000e-03  5.8310000000e-03 -3.2040000000e-04 -5.2546000000e-03  1.4120000000e-04  9.5350000000e-04  1.1510000000e-04 -3.9768000000e-03
+
+JOB 68
+COORDS  2.1266400000e-01 -1.4718080000e+00  8.3793200000e-01  5.5138500000e-01 -1.7841340000e+00  1.6769500000e+00  2.7445500000e-01 -5.1826000000e-01  8.9415500000e-01 -2.6804500000e-01  1.3857800000e+00 -8.6736400000e-01  6.5972600000e-01  1.4365050000e+00 -1.0973640000e+00 -6.1074900000e-01  2.2588630000e+00 -1.0584440000e+00
+ENERGY -1.526566252416e+02
+FORCES -9.3800000000e-05  3.9925000000e-03  2.6408000000e-03 -1.2891000000e-03  1.4748000000e-03 -3.3653000000e-03  2.5628000000e-03 -6.2510000000e-03  1.7735000000e-03  1.1164000000e-03  4.7341000000e-03 -4.1059000000e-03 -4.0888000000e-03 -2.0350000000e-04  2.5552000000e-03  1.7925000000e-03 -3.7468000000e-03  5.0170000000e-04
+
+JOB 69
+COORDS  1.1138930000e+00  1.1807200000e+00  8.6758500000e-01  4.8017700000e-01  4.8106100000e-01  7.0911600000e-01  8.2393600000e-01  1.5866420000e+00  1.6845210000e+00 -1.0660750000e+00 -1.2004410000e+00 -8.4312600000e-01 -1.6479180000e+00 -5.0035700000e-01 -1.1390510000e+00 -4.3874800000e-01 -1.3093090000e+00 -1.5578570000e+00
+ENERGY -1.526582966980e+02
+FORCES -4.1040000000e-03 -2.7292000000e-03  2.5195000000e-03  4.3400000000e-03  5.7898000000e-03  1.7546000000e-03  9.0230000000e-04 -1.4038000000e-03 -3.1914000000e-03 -1.2005000000e-03  4.9900000000e-04 -6.7105000000e-03  2.9856000000e-03 -2.8545000000e-03  2.0682000000e-03 -2.9235000000e-03  6.9870000000e-04  3.5597000000e-03
+
+JOB 70
+COORDS  9.4449600000e-01  1.3083400000e-01  1.6453950000e+00  8.3621800000e-01  1.0906300000e-01  6.9458800000e-01  1.2069240000e+00 -7.5994600000e-01  1.8775070000e+00 -9.3061400000e-01 -9.2596000000e-02 -1.5389860000e+00 -1.3004440000e+00 -7.0696500000e-01 -2.1730270000e+00 -9.5198500000e-01  7.5420600000e-01 -1.9847450000e+00
+ENERGY -1.526572079259e+02
+FORCES -1.0172000000e-03 -4.0582000000e-03 -4.4230000000e-03  3.0086000000e-03  1.1096000000e-03  5.8186000000e-03 -6.6850000000e-04  3.2556000000e-03 -4.7400000000e-04 -3.3184000000e-03  7.0660000000e-04 -5.2574000000e-03  1.4861000000e-03  2.8334000000e-03  2.4474000000e-03  5.0950000000e-04 -3.8471000000e-03  1.8883000000e-03
+
+JOB 71
+COORDS  8.3574000000e-02  1.9289790000e+00  3.5449700000e-01  5.0039300000e-01  1.2941120000e+00  9.3711000000e-01 -7.2745000000e-02  1.4443690000e+00 -4.5602700000e-01 -1.4658200000e-01 -1.8262250000e+00 -3.0244400000e-01  3.6299000000e-02 -2.7641400000e+00 -2.4673600000e-01  4.6240200000e-01 -1.5019690000e+00 -9.6594200000e-01
+ENERGY -1.526551052149e+02
+FORCES -3.3890000000e-04 -5.9605000000e-03 -1.2190000000e-04 -6.3090000000e-04  3.8161000000e-03 -2.3864000000e-03  1.7259000000e-03  2.5561000000e-03  2.1616000000e-03  2.7400000000e-03 -4.6238000000e-03 -2.6811000000e-03 -6.6400000000e-04  4.0869000000e-03 -3.3210000000e-04 -2.8322000000e-03  1.2520000000e-04  3.3598000000e-03
+
+JOB 72
+COORDS  1.7516060000e+00  4.8697500000e-01 -8.4073800000e-01  2.3264990000e+00 -2.4790000000e-01 -6.2698900000e-01  1.2968090000e+00  6.8209500000e-01 -2.1396000000e-02 -1.8031060000e+00 -4.7471500000e-01  8.2932200000e-01 -1.0647290000e+00  1.3012600000e-01  9.0142200000e-01 -1.8023890000e+00 -7.4596100000e-01 -8.8642000000e-02
+ENERGY -1.526535636249e+02
+FORCES  2.4216000000e-03 -2.2653000000e-03  4.2388000000e-03 -2.6412000000e-03  3.3552000000e-03 -1.0711000000e-03 -3.2630000000e-04 -1.1409000000e-03 -3.4079000000e-03  2.2904000000e-03  1.3635000000e-03 -4.5777000000e-03 -1.3640000000e-03 -2.2171000000e-03  3.3480000000e-04 -3.8050000000e-04  9.0460000000e-04  4.4831000000e-03
+
+JOB 73
+COORDS  2.1570200000e-01  1.7510630000e+00 -1.0929230000e+00  5.9218700000e-01  8.9825000000e-01 -1.3101800000e+00 -6.4332700000e-01  1.5470190000e+00 -7.2323800000e-01 -1.8410700000e-01 -1.6885700000e+00  1.0247860000e+00 -8.1571800000e-01 -2.2789900000e+00  1.4355220000e+00  2.5156100000e-01 -1.2550630000e+00  1.7586100000e+00
+ENERGY -1.526564577343e+02
+FORCES -2.3066000000e-03 -5.6925000000e-03  7.4830000000e-04 -7.8770000000e-04  4.4598000000e-03  2.0960000000e-04  3.1430000000e-03  2.0627000000e-03 -1.5238000000e-03 -5.5440000000e-04 -1.5652000000e-03  5.4246000000e-03  2.6071000000e-03  2.6346000000e-03 -1.6062000000e-03 -2.1013000000e-03 -1.8995000000e-03 -3.2525000000e-03
+
+JOB 74
+COORDS  4.1320000000e-02  5.2919800000e-01  2.2181680000e+00 -8.6500200000e-01  2.2134000000e-01  2.2121790000e+00  5.0176400000e-01 -6.8698000000e-02  1.6293180000e+00  3.0677000000e-02 -4.3854700000e-01 -2.1930680000e+00 -8.0472300000e-01 -3.0756300000e-01 -1.7445340000e+00 -6.9110000000e-03 -1.3403090000e+00 -2.5118850000e+00
+ENERGY -1.526542688134e+02
+FORCES -1.0272000000e-03 -3.5600000000e-03 -2.5485000000e-03  3.4769000000e-03  1.2257000000e-03 -3.4110000000e-04 -2.5304000000e-03  2.2835000000e-03  3.1499000000e-03 -3.8552000000e-03 -2.6808000000e-03 -7.6440000000e-04  3.7430000000e-03 -1.0575000000e-03 -1.2375000000e-03  1.9290000000e-04  3.7892000000e-03  1.7416000000e-03
+
+JOB 75
+COORDS  1.2543070000e+00 -1.8399460000e+00 -4.2054100000e-01  8.3065400000e-01 -2.4002990000e+00  2.2965400000e-01  6.5971800000e-01 -1.8507700000e+00 -1.1705930000e+00 -1.1947330000e+00  1.9411550000e+00  4.1747000000e-01 -1.0539660000e+00  1.4012770000e+00  1.1952550000e+00 -1.3879710000e+00  1.3132900000e+00 -2.7871700000e-01
+ENERGY -1.526538251042e+02
+FORCES -3.2238000000e-03 -3.1070000000e-03 -8.4410000000e-04  1.4430000000e-03  2.8359000000e-03 -2.6205000000e-03  2.0093000000e-03  4.8420000000e-04  3.4694000000e-03  8.6500000000e-04 -5.0069000000e-03  3.5660000000e-04 -1.2573000000e-03  2.3180000000e-03 -2.9379000000e-03  1.6380000000e-04  2.4759000000e-03  2.5765000000e-03
+
+JOB 76
+COORDS -1.6279500000e-01  2.4905160000e+00  5.9376200000e-01 -7.4673200000e-01  2.1168420000e+00 -6.6251000000e-02 -3.5401000000e-02  1.7853220000e+00  1.2283520000e+00  1.4535200000e-01 -2.4620830000e+00 -6.3094800000e-01  2.3637500000e-01 -2.4764440000e+00  3.2180600000e-01  7.9828000000e-01 -1.8268410000e+00 -9.2485900000e-01
+ENERGY -1.526542089559e+02
+FORCES -2.5375000000e-03 -4.0728000000e-03 -5.0500000000e-05  2.7940000000e-03  1.5944000000e-03  2.7731000000e-03 -9.1600000000e-05  2.6318000000e-03 -2.6827000000e-03  3.6208000000e-03  1.6905000000e-03  2.3824000000e-03 -6.2610000000e-04  5.5760000000e-04 -3.8922000000e-03 -3.1596000000e-03 -2.4015000000e-03  1.4699000000e-03
+
+JOB 77
+COORDS  8.1710800000e-01  8.3612900000e-01 -2.2570450000e+00  1.3414240000e+00  9.2140300000e-01 -1.4607700000e+00  8.6440700000e-01 -9.4245000000e-02 -2.4770420000e+00 -8.3835400000e-01 -7.6511800000e-01  2.1680780000e+00 -1.6575410000e+00 -9.1435900000e-01  2.6401910000e+00 -1.5582300000e-01 -1.0498050000e+00  2.7758100000e+00
+ENERGY -1.526543143917e+02
+FORCES  1.6258000000e-03 -3.7060000000e-03  3.2534000000e-03 -1.4584000000e-03 -1.0850000000e-04 -3.6740000000e-03  1.0080000000e-04  3.7488000000e-03  4.2080000000e-04 -1.1766000000e-03 -1.6375000000e-03  4.5601000000e-03  3.4824000000e-03  4.9890000000e-04 -1.8164000000e-03 -2.5740000000e-03  1.2044000000e-03 -2.7438000000e-03
+
+JOB 78
+COORDS  4.8021300000e-01  2.6689400000e+00  9.2627000000e-02 -1.9584000000e-01  2.3765070000e+00 -5.1865600000e-01  1.0595020000e+00  3.2185540000e+00 -4.3518100000e-01 -4.9643900000e-01 -2.7464420000e+00 -3.8581000000e-02 -1.0220590000e+00 -1.9604950000e+00 -1.8772100000e-01  3.7440100000e-01 -2.4148030000e+00  1.8024300000e-01
+ENERGY -1.526543281413e+02
+FORCES -2.9800000000e-04  1.8650000000e-03 -4.6759000000e-03  2.8014000000e-03  5.8780000000e-04  2.6458000000e-03 -2.4337000000e-03 -2.3822000000e-03  2.1778000000e-03  1.5924000000e-03  4.6936000000e-03  7.6270000000e-04  1.9402000000e-03 -3.1562000000e-03  2.2960000000e-04 -3.6023000000e-03 -1.6080000000e-03 -1.1400000000e-03
+
+JOB 79
+COORDS -7.0022600000e-01 -2.7700650000e+00 -4.7943000000e-01 -2.0657000000e-01 -1.9882920000e+00 -2.3170400000e-01 -1.6012550000e+00 -2.5770380000e+00 -2.2035700000e-01  6.9575400000e-01  2.6530380000e+00  4.6691200000e-01  4.8191600000e-01  3.5222840000e+00  8.0590500000e-01  1.3933960000e+00  2.8086700000e+00 -1.6972500000e-01
+ENERGY -1.526549696900e+02
+FORCES -1.6034000000e-03  4.4382000000e-03  2.2376000000e-03 -1.9131000000e-03 -3.6718000000e-03 -1.2028000000e-03  3.4753000000e-03 -1.0341000000e-03 -1.0969000000e-03  2.0586000000e-03  4.5784000000e-03 -1.1447000000e-03  8.9510000000e-04 -3.5523000000e-03 -1.4262000000e-03 -2.9125000000e-03 -7.5840000000e-04  2.6330000000e-03
+
+JOB 80
+COORDS -6.1093400000e-01  1.4472140000e+00 -2.5552570000e+00  2.7177800000e-01  1.6565360000e+00 -2.8606030000e+00 -7.4205100000e-01  2.0128180000e+00 -1.7942500000e+00  5.5360900000e-01 -1.5446440000e+00  2.4873900000e+00 -5.5555000000e-02 -9.3951100000e-01  2.9104330000e+00  1.4197130000e+00 -1.2470270000e+00  2.7658160000e+00
+ENERGY -1.526536988648e+02
+FORCES  3.1687000000e-03  2.8178000000e-03  1.9920000000e-03 -3.6135000000e-03 -7.1260000000e-04  1.1924000000e-03  4.8370000000e-04 -2.1247000000e-03 -3.0895000000e-03  9.3260000000e-04  3.4970000000e-03  2.8136000000e-03  2.5615000000e-03 -2.3536000000e-03 -1.7266000000e-03 -3.5330000000e-03 -1.1240000000e-03 -1.1820000000e-03
+
+JOB 81
+COORDS  1.6709980000e+00  2.4425700000e+00  4.7523800000e-01  1.9758160000e+00  2.2946180000e+00  1.3704640000e+00  2.3835340000e+00  2.1209790000e+00 -7.7124000000e-02 -1.7562730000e+00 -2.4313990000e+00 -4.3208900000e-01 -8.9140700000e-01 -2.6648670000e+00 -7.6933000000e-01 -2.1701550000e+00 -1.9479130000e+00 -1.1470540000e+00
+ENERGY -1.526540374681e+02
+FORCES  4.0505000000e-03 -1.9145000000e-03  1.6927000000e-03 -1.1148000000e-03  6.7630000000e-04 -3.7401000000e-03 -2.9560000000e-03  1.2233000000e-03  2.1152000000e-03  1.8405000000e-03  1.4729000000e-03 -4.2546000000e-03 -3.4360000000e-03  7.5830000000e-04  1.3710000000e-03  1.6158000000e-03 -2.2163000000e-03  2.8158000000e-03
+
+JOB 82
+COORDS -1.3784030000e+00 -2.6310860000e+00  1.5642440000e+00 -2.0953770000e+00 -2.8700550000e+00  2.1516740000e+00 -9.3205000000e-01 -1.9115740000e+00  2.0106790000e+00  1.3881780000e+00  2.5454130000e+00 -1.5817650000e+00  9.0529700000e-01  3.3506190000e+00 -1.3954760000e+00  1.9016030000e+00  2.7489000000e+00 -2.3635710000e+00
+ENERGY -1.526540239468e+02
+FORCES -8.8780000000e-04  2.2043000000e-03  4.0335000000e-03  2.8689000000e-03  9.3520000000e-04 -2.3839000000e-03 -1.9759000000e-03 -3.1040000000e-03 -1.5914000000e-03  8.7200000000e-05  3.9915000000e-03 -2.6340000000e-03  1.9818000000e-03 -3.2729000000e-03 -6.5250000000e-04 -2.0742000000e-03 -7.5400000000e-04  3.2283000000e-03
+
+JOB 83
+COORDS  1.4939700000e-01  2.6624750000e+00 -2.3734810000e+00  5.4141600000e-01  1.8099950000e+00 -2.1841940000e+00 -5.2863700000e-01  2.4759510000e+00 -3.0228740000e+00 -1.4573100000e-01 -2.6595780000e+00  2.4302740000e+00 -5.9248600000e-01 -2.3243680000e+00  1.6529220000e+00  5.0302300000e-01 -1.9884740000e+00  2.6423310000e+00
+ENERGY -1.526539292771e+02
+FORCES -1.1164000000e-03 -4.0471000000e-03 -2.1935000000e-03 -1.6926000000e-03  3.3757000000e-03 -5.1310000000e-04  2.7849000000e-03  6.8950000000e-04  2.7698000000e-03  7.4970000000e-04  4.1644000000e-03 -2.0607000000e-03  1.9084000000e-03 -1.3866000000e-03  3.0034000000e-03 -2.6339000000e-03 -2.7959000000e-03 -1.0059000000e-03
+
+JOB 84
+COORDS  2.1022200000e-01  1.1318320000e+00 -3.4379810000e+00 -8.1229000000e-02  9.3745300000e-01 -2.5471920000e+00  7.8440400000e-01  4.0115000000e-01 -3.6674390000e+00 -1.8542900000e-01 -1.0752980000e+00  3.3503110000e+00 -9.1687100000e-01 -1.6864400000e+00  3.4382300000e+00 -1.8622100000e-01 -5.8058500000e-01  4.1697560000e+00
+ENERGY -1.526544678519e+02
+FORCES  1.2395000000e-03 -3.7934000000e-03  2.9529000000e-03  1.0816000000e-03  8.4220000000e-04 -3.8366000000e-03 -2.3399000000e-03  2.9588000000e-03  7.8400000000e-04 -2.9489000000e-03 -4.7810000000e-04  3.9439000000e-03  2.9893000000e-03  2.5124000000e-03 -4.6720000000e-04 -2.1500000000e-05 -2.0419000000e-03 -3.3770000000e-03
+
+JOB 85
+COORDS -7.9292900000e-01 -1.7403240000e+00 -3.3185140000e+00 -6.4470100000e-01 -1.4485070000e+00 -4.2180160000e+00  7.6605000000e-02 -1.9789380000e+00 -2.9972550000e+00  7.7125300000e-01  1.6839100000e+00  3.3301270000e+00  1.7665000000e-01  2.2453630000e+00  2.8326830000e+00  7.6463400000e-01  2.0509730000e+00  4.2141250000e+00
+ENERGY -1.526541686648e+02
+FORCES  4.2412000000e-03  1.7230000000e-04 -2.2176000000e-03 -6.4100000000e-04 -1.1596000000e-03  3.6398000000e-03 -3.5807000000e-03  9.6040000000e-04 -1.4417000000e-03 -2.5990000000e-03  3.7334000000e-03  1.5301000000e-03  2.5146000000e-03 -2.2219000000e-03  2.0806000000e-03  6.4900000000e-05 -1.4847000000e-03 -3.5912000000e-03
+
+JOB 86
+COORDS  6.1662300000e-01 -2.0940410000e+00  3.5271880000e+00  7.9392000000e-02 -1.3580820000e+00  3.2339670000e+00  1.5133710000e+00 -1.7599230000e+00  3.5062200000e+00 -6.1176600000e-01  1.9796340000e+00 -3.4709680000e+00 -1.4453360000e+00  1.9971700000e+00 -3.9411660000e+00 -2.1767800000e-01  2.8335400000e+00 -3.6492140000e+00
+ENERGY -1.526542161583e+02
+FORCES  1.4512000000e-03  4.3977000000e-03 -1.5269000000e-03  2.1680000000e-03 -3.0072000000e-03  1.3648000000e-03 -3.6115000000e-03 -1.3784000000e-03  1.9960000000e-04 -1.8221000000e-03  3.5068000000e-03 -2.7930000000e-03  3.4091000000e-03 -3.9000000000e-05  1.9570000000e-03 -1.5947000000e-03 -3.4800000000e-03  7.9850000000e-04
+
+JOB 87
+COORDS  5.1672000000e-01  3.0334470000e+00 -2.8247520000e+00  1.1245890000e+00  3.4121410000e+00 -2.1896790000e+00 -2.6470800000e-01  3.5831610000e+00 -2.7663070000e+00 -4.6297300000e-01 -3.0439240000e+00  2.7557120000e+00 -3.5565500000e-01 -3.9859780000e+00  2.8870480000e+00 -1.3344210000e+00 -2.8511310000e+00  3.1016040000e+00
+ENERGY -1.526539821494e+02
+FORCES -6.7990000000e-04  3.6402000000e-03  2.9777000000e-03 -2.4787000000e-03 -1.4423000000e-03 -2.6628000000e-03  3.1620000000e-03 -2.1998000000e-03 -2.8650000000e-04 -3.1239000000e-03 -3.0824000000e-03  1.8209000000e-03 -4.3670000000e-04  3.8466000000e-03 -4.9060000000e-04  3.5573000000e-03 -7.6230000000e-04 -1.3588000000e-03
+
+JOB 88
+COORDS  1.6286500000e-01  1.6998500000e-01 -4.2012140000e+00  1.9663400000e-01 -7.8605800000e-01 -4.2339660000e+00 -7.3098100000e-01  3.6914800000e-01 -3.9226360000e+00 -1.7498600000e-01 -1.4875100000e-01  4.1667700000e+00  1.0704000000e-02  4.8496200000e-01  4.8597050000e+00  6.8664400000e-01 -3.9947400000e-01  3.8336580000e+00
+ENERGY -1.526542121150e+02
+FORCES -3.5919000000e-03 -3.0797000000e-03  1.0686000000e-03 -8.4500000000e-05  3.8857000000e-03  1.0890000000e-04  3.6688000000e-03 -8.0600000000e-04 -1.2039000000e-03  4.3268000000e-03  1.6250000000e-03  1.4610000000e-03 -7.7370000000e-04 -2.5980000000e-03 -2.8087000000e-03 -3.5454000000e-03  9.7300000000e-04  1.3741000000e-03
+
+JOB 89
+COORDS -5.3216100000e-01  3.6831340000e+00  2.1551310000e+00 -7.8271700000e-01  3.5291110000e+00  3.0660270000e+00  4.1438400000e-01  3.8219920000e+00  2.1867850000e+00  4.3803500000e-01 -3.6520520000e+00 -2.1708640000e+00  4.6663700000e-01 -4.5035360000e+00 -2.6071990000e+00  1.3251040000e+00 -3.3047030000e+00 -2.2640800000e+00
+ENERGY -1.526539386361e+02
+FORCES  2.7905000000e-03 -1.9490000000e-04  3.8209000000e-03  1.0410000000e-03  6.9040000000e-04 -3.6948000000e-03 -3.8316000000e-03 -5.2310000000e-04 -1.3130000000e-04  3.6930000000e-03 -1.9646000000e-03 -2.1864000000e-03 -1.1080000000e-04  3.4584000000e-03  1.7961000000e-03 -3.5821000000e-03 -1.4662000000e-03  3.9550000000e-04
+
+JOB 0
+COORDS -1.9317000000e-02 -9.5229100000e-01  8.3146700000e-01 -9.7388100000e-01 -9.9926700000e-01  7.7823300000e-01  2.8814700000e-01 -1.4557620000e+00  7.7667000000e-02  3.3720000000e-03  9.9468200000e-01 -8.2563100000e-01  8.4544100000e-01  1.4471280000e+00 -7.7619600000e-01  4.6658000000e-02  3.3116700000e-01 -1.3707700000e-01
+ENERGY -1.526548444836e+02
+FORCES -2.6858000000e-03  7.0090000000e-03 -1.0364700000e-02  7.0346000000e-03  3.0991000000e-03 -1.9313000000e-03 -1.6875000000e-03  8.2701000000e-03  2.9604000000e-03  1.6960000000e-03 -1.5694700000e-02  1.9014500000e-02 -1.6201000000e-03 -3.2933000000e-03  9.9670000000e-04 -2.7372000000e-03  6.0980000000e-04 -1.0675500000e-02
+
+JOB 1
+COORDS  9.9358200000e-01 -7.7709300000e-01  2.5317400000e-01  1.3594100000e+00 -8.0078200000e-01  1.1373920000e+00  3.7264100000e-01 -4.8816000000e-02  2.6979300000e-01 -9.2862900000e-01  7.7369200000e-01 -2.6974900000e-01 -1.6175460000e+00  2.2508100000e-01  1.0528700000e-01 -1.0696830000e+00  7.2325400000e-01 -1.2151540000e+00
+ENERGY -1.526563229100e+02
+FORCES -1.5639300000e-02  1.5630200000e-02 -5.6496000000e-03 -4.4440000000e-03  2.5016000000e-03 -2.1515000000e-03  4.7137000000e-03 -7.4357000000e-03  5.0996000000e-03  1.0950300000e-02 -1.3172900000e-02 -1.1894000000e-03  5.4086000000e-03  2.3595000000e-03 -1.4032000000e-03 -9.8930000000e-04  1.1720000000e-04  5.2942000000e-03
+
+JOB 2
+COORDS -6.5527600000e-01  8.6652000000e-01 -8.0955900000e-01 -8.6140000000e-03  2.3484900000e-01 -4.9483400000e-01 -1.3841440000e+00  7.9085500000e-01 -1.9372000000e-01  6.8451200000e-01 -8.0122300000e-01  6.8382600000e-01  7.1804800000e-01 -3.1688100000e-01  1.5087630000e+00  2.3316900000e-01 -1.6165420000e+00  9.0240500000e-01
+ENERGY -1.526564815875e+02
+FORCES  8.8914000000e-03 -1.4921200000e-02  1.3148300000e-02 -2.0789000000e-03  5.3927000000e-03 -4.4627000000e-03  1.2473000000e-03  5.3670000000e-04 -7.8420000000e-04 -7.7840000000e-03  6.8767000000e-03 -3.5313000000e-03 -1.7287000000e-03 -3.1978000000e-03 -4.3390000000e-03  1.4529000000e-03  5.3129000000e-03 -3.1100000000e-05
+
+JOB 3
+COORDS -3.7169200000e-01 -2.5659100000e-01 -1.1625900000e+00 -1.2412230000e+00 -3.7489800000e-01 -1.5448880000e+00  9.3274000000e-02 -1.0675940000e+00 -1.3682910000e+00  3.8049200000e-01  3.1243600000e-01  1.2626780000e+00 -1.0208500000e-01 -1.4044400000e-01  5.7112100000e-01  1.1304880000e+00  7.0404500000e-01  8.1504000000e-01
+ENERGY -1.526561092874e+02
+FORCES  1.5424000000e-03  1.2302000000e-03  5.9364000000e-03  5.1163000000e-03 -2.6750000000e-04  2.8254000000e-03 -2.8879000000e-03  4.9633000000e-03  3.5871000000e-03 -5.1062000000e-03 -1.0890000000e-03 -2.0812800000e-02  1.5359000000e-03 -3.5387000000e-03  6.2860000000e-03 -2.0060000000e-04 -1.2983000000e-03  2.1779000000e-03
+
+JOB 4
+COORDS  7.9161200000e-01  7.1254000000e-01  8.7109800000e-01  2.4597500000e-01  9.9228600000e-01  1.6061180000e+00  1.7799100000e-01  3.1109200000e-01  2.5584100000e-01 -6.5917400000e-01 -6.8413000000e-01 -8.6001100000e-01 -1.3561480000e+00 -1.1950000000e-01 -1.1941550000e+00 -1.0594100000e+00 -1.5518260000e+00 -8.0392000000e-01
+ENERGY -1.526581222833e+02
+FORCES -9.4260000000e-03 -9.7520000000e-03 -8.8211000000e-03  2.1360000000e-04 -1.4902000000e-03 -3.1245000000e-03  2.1966000000e-03  8.6257000000e-03  3.8437000000e-03  2.4689000000e-03  9.3400000000e-05  5.5050000000e-03  4.2051000000e-03 -2.4905000000e-03  4.3073000000e-03  3.4180000000e-04  5.0136000000e-03 -1.7103000000e-03
+
+JOB 5
+COORDS -5.5570300000e-01 -1.1779300000e+00  1.9363100000e-01  8.7011000000e-02 -1.3928020000e+00  8.6963500000e-01 -4.5935800000e-01 -1.8720420000e+00 -4.5841100000e-01  5.7181800000e-01  1.2391760000e+00 -2.2157900000e-01  2.8893000000e-02  1.9152880000e+00  1.8380600000e-01  6.7614000000e-02  4.3220500000e-01 -1.1762400000e-01
+ENERGY -1.526607290400e+02
+FORCES  4.8679000000e-03  1.1258000000e-03 -1.7758000000e-03 -3.2959000000e-03  2.5537000000e-03 -4.8324000000e-03  1.8620000000e-04  3.0241000000e-03  4.2401000000e-03 -9.1251000000e-03 -1.2164600000e-02  1.2389000000e-03  9.1920000000e-04 -3.2174000000e-03 -5.2080000000e-04  6.4477000000e-03  8.6785000000e-03  1.6500000000e-03
+
+JOB 6
+COORDS  3.3478700000e-01  1.4490800000e-01  1.3385900000e+00  1.0728000000e-01  1.7370000000e-03  4.1990900000e-01 -8.2086000000e-02 -5.7972400000e-01  1.8048060000e+00 -2.6657400000e-01 -1.3404000000e-01 -1.2734900000e+00  8.6611000000e-02  7.2292500000e-01 -1.5124520000e+00 -1.1145920000e+00 -1.7584500000e-01 -1.7154730000e+00
+ENERGY -1.526596241109e+02
+FORCES -5.3793000000e-03 -5.3040000000e-03 -1.4156200000e-02  4.7871000000e-03  4.8477000000e-03  7.1782000000e-03  4.5220000000e-04  1.7988000000e-03 -1.7981000000e-03 -1.8584000000e-03  2.9435000000e-03  4.0772000000e-03 -2.7154000000e-03 -5.1323000000e-03  3.4629000000e-03  4.7140000000e-03  8.4630000000e-04  1.2359000000e-03
+
+JOB 7
+COORDS  6.9348800000e-01  7.2441600000e-01  8.2403800000e-01  1.5845800000e+00  1.0647990000e+00  9.0358000000e-01  2.7975800000e-01  9.3716300000e-01  1.6605770000e+00 -7.5150900000e-01 -8.0770000000e-01 -8.5075200000e-01 -6.5051900000e-01 -4.9758000000e-01 -1.7506730000e+00 -2.8499000000e-01 -1.6162200000e-01 -3.2049300000e-01
+ENERGY -1.526598782704e+02
+FORCES -1.3879000000e-03 -3.6983000000e-03 -2.8634000000e-03 -4.5401000000e-03 -5.8170000000e-04  1.4721000000e-03  3.1487000000e-03 -6.1140000000e-04 -4.1286000000e-03  8.5946000000e-03  8.9705000000e-03  6.6837000000e-03  7.6140000000e-04 -2.5110000000e-04  2.8855000000e-03 -6.5768000000e-03 -3.8281000000e-03 -4.0493000000e-03
+
+JOB 8
+COORDS  5.6561300000e-01  1.1583920000e+00 -8.0990000000e-02 -1.4433500000e-01  1.7827320000e+00 -2.3067700000e-01  1.3370830000e+00  1.7041990000e+00  7.1195000000e-02 -5.6509200000e-01 -1.2919320000e+00  9.3343000000e-02  8.4659000000e-02 -6.0070600000e-01  2.2086200000e-01 -1.3291320000e+00 -8.4000300000e-01 -2.6475800000e-01
+ENERGY -1.526578067930e+02
+FORCES -3.3969000000e-03 -2.1494000000e-03  2.1510000000e-04  3.7124000000e-03 -2.8016000000e-03  5.2480000000e-04 -4.4436000000e-03 -2.0604000000e-03 -8.9620000000e-04  4.9832000000e-03  1.4560100000e-02 -2.1868000000e-03 -1.7515000000e-03 -6.5544000000e-03  1.3963000000e-03  8.9630000000e-04 -9.9430000000e-04  9.4680000000e-04
+
+JOB 9
+COORDS  9.5549300000e-01 -7.2965700000e-01  5.6536200000e-01  1.4277660000e+00 -3.8616400000e-01  1.3237830000e+00  3.1649900000e-01 -1.3383470000e+00  9.3605900000e-01 -9.6233800000e-01  8.0100800000e-01 -6.6586300000e-01 -1.5491660000e+00  8.2182000000e-02 -4.3101200000e-01 -1.1745300000e-01  5.5360500000e-01 -2.9010700000e-01
+ENERGY -1.526576577671e+02
+FORCES -4.3809000000e-03 -2.2400000000e-04  2.3405000000e-03 -3.5081000000e-03 -1.1158000000e-03 -4.2545000000e-03  2.2307000000e-03  4.1078000000e-03 -2.1669000000e-03  1.0073100000e-02 -1.0393700000e-02  6.6855000000e-03  1.0059000000e-03  1.3154000000e-03 -3.5100000000e-05 -5.4207000000e-03  6.3103000000e-03 -2.5696000000e-03
+
+JOB 10
+COORDS  1.4700600000e-01  1.6846000000e-01 -1.3859940000e+00  1.0358100000e-01  1.4347200000e-01 -4.3010600000e-01 -7.2168900000e-01 -1.1288300000e-01 -1.6731290000e+00 -1.0604800000e-01 -1.4519500000e-01  1.2860860000e+00  5.4146400000e-01  2.7231100000e-01  1.8541070000e+00 -6.1919300000e-01 -6.9947700000e-01  1.8740370000e+00
+ENERGY -1.526593221252e+02
+FORCES -4.5484000000e-03 -3.0191000000e-03  1.4374500000e-02  3.0113000000e-03  3.1943000000e-03 -6.5694000000e-03  2.0641000000e-03  3.1120000000e-04  7.9800000000e-04  3.5100000000e-05 -1.2064000000e-03 -4.8945000000e-03 -3.7025000000e-03 -2.6895000000e-03 -2.6282000000e-03  3.1403000000e-03  3.4095000000e-03 -1.0804000000e-03
+
+JOB 11
+COORDS -1.9407700000e-01 -1.1563760000e+00 -6.1292200000e-01  3.8983500000e-01 -1.5293650000e+00 -1.2733450000e+00 -8.4183000000e-02 -1.7219260000e+00  1.5147800000e-01  2.1749400000e-01  1.2384190000e+00  6.1638300000e-01 -6.3816100000e-01  1.6201290000e+00  8.1230200000e-01  2.0838000000e-02  3.5340600000e-01  3.0928200000e-01
+ENERGY -1.526591680373e+02
+FORCES  4.6506000000e-03  2.0133000000e-03 -1.0343000000e-03 -3.3774000000e-03  2.5300000000e-05  3.9242000000e-03  3.7900000000e-05  6.3747000000e-03 -3.2066000000e-03 -4.1693000000e-03 -1.0921700000e-02 -8.3004000000e-03  2.1592000000e-03 -2.3431000000e-03 -7.2680000000e-04  6.9910000000e-04  4.8514000000e-03  9.3439000000e-03
+
+JOB 12
+COORDS  1.4097650000e+00  9.5854000000e-02 -6.6658000000e-02  1.5519790000e+00 -5.1544000000e-01  6.5606300000e-01  4.7514400000e-01  2.4762000000e-02 -2.6072700000e-01 -1.3375400000e+00 -1.0120100000e-01 -7.9990000000e-03 -1.7088430000e+00  7.5536300000e-01 -2.1934000000e-01 -1.4381300000e+00 -1.7890800000e-01  9.4072300000e-01
+ENERGY -1.526593862042e+02
+FORCES -1.4989300000e-02 -4.0530000000e-03  8.9740000000e-04 -9.6640000000e-04  2.0466000000e-03 -1.2065000000e-03  9.5728000000e-03  2.5737000000e-03 -2.4660000000e-04  2.0196000000e-03  3.6184000000e-03  4.1307000000e-03  2.9779000000e-03 -4.5516000000e-03  1.4258000000e-03  1.3854000000e-03  3.6590000000e-04 -5.0007000000e-03
+
+JOB 13
+COORDS  1.1203100000e+00 -4.4110500000e-01  7.5035600000e-01  3.0351000000e-01 -1.7253800000e-01  3.2971200000e-01  1.7626990000e+00 -4.5399600000e-01  4.0847000000e-02 -1.0560100000e+00  3.8953500000e-01 -6.5714100000e-01 -1.9521080000e+00  8.1791000000e-02 -7.9328100000e-01 -1.0627370000e+00  1.2940680000e+00 -9.7020000000e-01
+ENERGY -1.526605298826e+02
+FORCES -1.0363000000e-02  3.2696000000e-03 -9.2799000000e-03  7.0448000000e-03 -1.5857000000e-03  4.4065000000e-03 -1.7196000000e-03  6.8520000000e-04  1.7112000000e-03  1.9868000000e-03 -6.0180000000e-04  2.6752000000e-03  3.9419000000e-03  3.1740000000e-03 -3.3140000000e-04 -8.9090000000e-04 -4.9413000000e-03  8.1840000000e-04
+
+JOB 14
+COORDS -5.8003000000e-02  3.1810400000e-01  1.3809070000e+00  1.0378500000e-01 -1.2190500000e-01  5.4637200000e-01 -1.0117140000e+00  3.7012300000e-01  1.4438490000e+00  1.0707900000e-01 -3.4580900000e-01 -1.2911770000e+00  8.2327200000e-01  2.5182100000e-01 -1.5059710000e+00 -6.1366800000e-01 -6.9980000000e-02 -1.8574580000e+00
+ENERGY -1.526593827607e+02
+FORCES -3.2302000000e-03 -4.7740000000e-03 -1.3935000000e-02  3.2214000000e-03  2.7900000000e-03  8.2228000000e-03  2.2960000000e-03  2.8190000000e-04 -1.0870000000e-04 -1.9311000000e-03  5.9089000000e-03  1.5314000000e-03 -4.2245000000e-03 -3.2936000000e-03  2.0747000000e-03  3.8684000000e-03 -9.1300000000e-04  2.2148000000e-03
+
+JOB 15
+COORDS  3.7933800000e-01 -5.9878300000e-01  1.1239870000e+00  9.7929700000e-01 -1.3427240000e+00  1.0707700000e+00 -4.2437600000e-01 -9.6458900000e-01  1.4933950000e+00 -3.6494100000e-01  6.3119900000e-01 -1.2037040000e+00 -2.1009100000e-01  2.7449200000e-01 -3.2905300000e-01 -5.4053400000e-01  1.5605300000e+00 -1.0562460000e+00
+ENERGY -1.526605784606e+02
+FORCES  8.7560000000e-04 -2.9245000000e-03 -3.8887000000e-03 -3.8482000000e-03  2.9733000000e-03  1.7838000000e-03  3.9707000000e-03  2.6424000000e-03 -3.6282000000e-03  5.0183000000e-03 -4.1084000000e-03  1.2158400000e-02 -6.4953000000e-03  4.6320000000e-03 -7.4473000000e-03  4.7900000000e-04 -3.2148000000e-03  1.0221000000e-03
+
+JOB 16
+COORDS -7.8632800000e-01 -1.0951390000e+00  4.2395400000e-01 -1.6773150000e+00 -7.8051000000e-01  5.7687100000e-01 -3.0980300000e-01 -3.2508100000e-01  1.1384800000e-01  7.6563600000e-01  9.7886900000e-01 -3.8954300000e-01  1.6905940000e+00  1.1178600000e+00 -1.8615500000e-01  5.4821700000e-01  1.6769750000e+00 -1.0072870000e+00
+ENERGY -1.526603419948e+02
+FORCES  6.3928000000e-03  1.1321800000e-02 -3.4537000000e-03  2.8450000000e-03  2.7730000000e-04 -1.2309000000e-03 -5.9984000000e-03 -6.3378000000e-03  2.3954000000e-03 -7.9730000000e-04 -3.6771000000e-03  1.2446000000e-03 -4.3615000000e-03  1.2087000000e-03 -2.3686000000e-03  1.9194000000e-03 -2.7928000000e-03  3.4132000000e-03
+
+JOB 17
+COORDS  5.7839700000e-01  1.2517490000e+00  4.2295000000e-01  2.8383600000e-01  3.7419700000e-01  6.6660800000e-01  3.0290800000e-01  1.3530200000e+00 -4.8813800000e-01 -5.5927200000e-01 -1.1428330000e+00 -3.5604600000e-01  1.4081100000e-01 -1.3544690000e+00 -9.7356200000e-01 -1.0023560000e+00 -1.9769300000e+00 -2.0051000000e-01
+ENERGY -1.526586256000e+02
+FORCES -8.3926000000e-03 -9.9530000000e-03 -4.3400000000e-03  4.7899000000e-03  4.5666000000e-03  2.2316000000e-03  2.8410000000e-03  7.7960000000e-04  1.2634000000e-03  1.7901000000e-03 -1.0833000000e-03 -1.4104000000e-03 -3.8862000000e-03  1.7678000000e-03  3.3212000000e-03  2.8578000000e-03  3.9223000000e-03 -1.0659000000e-03
+
+JOB 18
+COORDS  3.2881700000e-01  1.3718020000e+00 -5.8395000000e-02 -3.0445000000e-02  4.9042300000e-01  4.3260000000e-02  1.9248200000e-01  1.7862700000e+00  7.9357900000e-01 -2.6556000000e-01 -1.2931410000e+00 -1.5752000000e-02  4.6231000000e-02 -2.0973770000e+00  3.9924500000e-01 -1.2134270000e+00 -1.4090240000e+00 -8.1720000000e-02
+ENERGY -1.526591509840e+02
+FORCES -1.6161000000e-03 -1.2278600000e-02  2.6039000000e-03 -2.8497000000e-03  9.2532000000e-03 -9.1740000000e-04 -1.9100000000e-05 -2.3900000000e-03 -2.2431000000e-03  2.3636000000e-03  4.7920000000e-04  1.4503000000e-03 -3.3502000000e-03  2.7828000000e-03 -2.3950000000e-03  5.4716000000e-03  2.1534000000e-03  1.5013000000e-03
+
+JOB 19
+COORDS  5.4603800000e-01  1.0195610000e+00 -8.4627200000e-01  1.6025800000e-01  6.0105000000e-01 -7.6691000000e-02  6.8200000000e-02  6.4663600000e-01 -1.5871020000e+00 -5.0453200000e-01 -9.1140200000e-01  8.7319200000e-01 -1.1813030000e+00 -1.5349880000e+00  6.0984400000e-01  3.1856000000e-01 -1.3295810000e+00  6.2045400000e-01
+ENERGY -1.526587775219e+02
+FORCES -9.4341000000e-03 -7.9359000000e-03  5.7834000000e-03  7.5894000000e-03  2.8876000000e-03 -3.5737000000e-03  2.0673000000e-03  6.9190000000e-04  1.3815000000e-03  7.2680000000e-04 -2.3409000000e-03 -4.3090000000e-03  4.1267000000e-03  2.3063000000e-03  6.3890000000e-04 -5.0761000000e-03  4.3910000000e-03  7.8900000000e-05
+
+JOB 20
+COORDS -8.6108700000e-01  8.4688200000e-01  5.6605000000e-01 -3.6595100000e-01  1.4881470000e+00  5.6293000000e-02 -1.1518040000e+00  1.3286670000e+00  1.3403870000e+00  8.2389100000e-01 -9.6020700000e-01 -6.2602500000e-01  1.6882740000e+00 -5.5419100000e-01 -6.9102000000e-01  4.3158200000e-01 -5.6606900000e-01  1.5306500000e-01
+ENERGY -1.526580466513e+02
+FORCES  7.7450000000e-04  2.8595000000e-03 -2.9471000000e-03 -9.1780000000e-04 -3.4824000000e-03  4.5777000000e-03  2.1846000000e-03 -2.1112000000e-03 -4.3294000000e-03 -4.8966000000e-03  5.5920000000e-03  7.0950000000e-03 -3.9923000000e-03  4.8820000000e-04  3.0960000000e-04  6.8476000000e-03 -3.3462000000e-03 -4.7057000000e-03
+
+JOB 21
+COORDS -5.4023000000e-01 -6.5996000000e-02  1.3209200000e+00 -1.1761200000e-01  2.3203000000e-02  4.6671300000e-01 -1.2293290000e+00 -7.1547500000e-01  1.1810910000e+00  4.9851300000e-01  9.2070000000e-02 -1.2262660000e+00  9.7277700000e-01  9.0511800000e-01 -1.4002140000e+00  1.0286860000e+00 -5.8846100000e-01 -1.6410260000e+00
+ENERGY -1.526609724597e+02
+FORCES  3.1238000000e-03 -1.1599000000e-03 -1.4059900000e-02 -2.7946000000e-03  1.3313000000e-03  9.1700000000e-03  2.1172000000e-03  1.2414000000e-03  3.2470000000e-04  1.8739000000e-03 -6.0190000000e-04  2.0585000000e-03 -1.9021000000e-03 -4.9878000000e-03  1.2056000000e-03 -2.4181000000e-03  4.1769000000e-03  1.3010000000e-03
+
+JOB 22
+COORDS  1.1975500000e+00  7.2521600000e-01 -2.6710100000e-01  2.5128100000e-01  5.9702300000e-01 -2.0097200000e-01  1.5220300000e+00  5.8050300000e-01  6.2172000000e-01 -1.1487910000e+00 -6.5098700000e-01  1.7450500000e-01 -1.4541520000e+00 -1.4976440000e+00 -1.5131500000e-01 -1.0936880000e+00 -7.6467800000e-01  1.1233300000e+00
+ENERGY -1.526569986863e+02
+FORCES -1.0667800000e-02 -7.6545000000e-03  3.3124000000e-03  5.5127000000e-03  5.8549000000e-03  1.2289000000e-03 -1.3570000000e-03  1.9460000000e-04 -2.0151000000e-03  4.7127000000e-03 -3.0159000000e-03 -1.0027000000e-03  6.7800000000e-04  3.2985000000e-03  3.1891000000e-03  1.1214000000e-03  1.3224000000e-03 -4.7126000000e-03
+
+JOB 23
+COORDS  1.7938200000e-01  4.0553200000e-01 -1.3642510000e+00  3.5550700000e-01  3.4004500000e-01 -4.2567600000e-01  2.2446000000e-02 -4.9678400000e-01 -1.6425090000e+00 -1.3289700000e-01 -3.1613800000e-01  1.2987130000e+00 -9.3007900000e-01  3.8454000000e-02  1.6924080000e+00 -2.0818200000e-01 -1.2631680000e+00  1.4157510000e+00
+ENERGY -1.526590102304e+02
+FORCES -1.7732000000e-03 -6.4429000000e-03  1.2876700000e-02  2.1581000000e-03  3.3349000000e-03 -7.5133000000e-03  3.4730000000e-04  2.0312000000e-03  1.4820000000e-04 -4.2224000000e-03 -6.8210000000e-04 -3.2180000000e-03  3.8524000000e-03 -2.7489000000e-03 -1.2516000000e-03 -3.6220000000e-04  4.5079000000e-03 -1.0419000000e-03
+
+JOB 24
+COORDS -5.1930000000e-03 -8.9150900000e-01 -1.1080480000e+00  9.0323400000e-01 -9.4025000000e-01 -1.4057330000e+00  2.5248000000e-02 -3.2650200000e-01 -3.3599100000e-01 -8.7601000000e-02  8.8596300000e-01  1.0407560000e+00 -2.4742900000e-01  2.8225300000e-01  1.7661670000e+00  8.4455400000e-01  1.0944160000e+00  1.1029470000e+00
+ENERGY -1.526588819112e+02
+FORCES  5.4030000000e-04  9.6883000000e-03  9.1244000000e-03 -2.4053000000e-03  1.2939000000e-03  2.4277000000e-03  3.3121000000e-03 -9.1250000000e-03 -6.2790000000e-03  1.7243000000e-03 -4.9180000000e-04  2.9806000000e-03  1.8396000000e-03  2.3053000000e-03 -5.8894000000e-03 -5.0111000000e-03 -3.6707000000e-03 -2.3643000000e-03
+
+JOB 25
+COORDS  1.2319000000e-01 -6.3389500000e-01 -1.2206090000e+00  1.5655300000e-01  1.6860100000e-01 -1.7412990000e+00 -7.9862800000e-01 -8.9132300000e-01 -1.2352510000e+00 -5.5681000000e-02  5.9992600000e-01  1.3230610000e+00  4.0324000000e-02 -5.5802000000e-02  6.3238400000e-01 -4.3921300000e-01  1.3582040000e+00  8.8243700000e-01
+ENERGY -1.526580262814e+02
+FORCES -2.3443000000e-03  3.9212000000e-03 -2.4577000000e-03 -1.3055000000e-03 -3.6866000000e-03  3.5190000000e-03  5.2938000000e-03  3.0292000000e-03  2.7425000000e-03  1.4482000000e-03 -3.9117000000e-03 -1.2886500000e-02 -3.8376000000e-03  2.5495000000e-03  8.2471000000e-03  7.4540000000e-04 -1.9016000000e-03  8.3560000000e-04
+
+JOB 26
+COORDS  1.8096000000e-01 -1.3013470000e+00  1.9831000000e-01 -4.4308900000e-01 -1.6779180000e+00  8.1878500000e-01  9.6686200000e-01 -1.8397290000e+00  2.9176500000e-01 -2.4698000000e-01  1.4002240000e+00 -2.3837000000e-01  6.6188500000e-01  1.6446710000e+00 -4.1284900000e-01 -2.2002300000e-01  4.5209100000e-01 -1.0972100000e-01
+ENERGY -1.526599024163e+02
+FORCES  1.6981000000e-03  2.1554000000e-03  1.3980000000e-03  3.6578000000e-03  2.1563000000e-03 -3.2238000000e-03 -4.3581000000e-03  1.4065000000e-03  4.3040000000e-04  5.8408000000e-03 -1.2757200000e-02  1.1541000000e-03 -2.1455000000e-03 -2.2480000000e-04  3.5020000000e-04 -4.6929000000e-03  7.2639000000e-03 -1.0880000000e-04
+
+JOB 27
+COORDS  8.1039400000e-01 -9.2022500000e-01 -5.0575400000e-01  4.7262100000e-01 -1.6870270000e+00 -9.6852300000e-01  1.7596610000e+00 -9.7127400000e-01 -6.1763900000e-01 -8.7435600000e-01  9.7398400000e-01  6.0153800000e-01 -8.8211800000e-01  1.6055080000e+00 -1.1773200000e-01 -3.6424800000e-01  2.3610300000e-01  2.6754200000e-01
+ENERGY -1.526606923155e+02
+FORCES  5.0080000000e-04  1.6668000000e-03  1.1400000000e-03  2.4535000000e-03  3.9598000000e-03  2.0255000000e-03 -4.6237000000e-03 -1.4221000000e-03 -1.0160000000e-03  8.5312000000e-03 -6.8946000000e-03 -7.1305000000e-03 -2.3600000000e-05 -1.5035000000e-03  1.8993000000e-03 -6.8382000000e-03  4.1935000000e-03  3.0817000000e-03
+
+JOB 28
+COORDS -1.0845540000e+00 -2.9951000000e-02  9.2202400000e-01 -1.1608860000e+00  8.0446400000e-01  1.3847970000e+00 -6.4926300000e-01  1.9118600000e-01  9.8706000000e-02  1.0284480000e+00  8.5870000000e-03 -9.3783900000e-01  1.5767890000e+00  2.2068700000e-01 -1.8247900000e-01  1.0845300000e+00 -9.4382900000e-01 -1.0152330000e+00
+ENERGY -1.526600917697e+02
+FORCES  6.1364000000e-03  3.3865000000e-03 -8.2660000000e-03  1.9313000000e-03 -2.6140000000e-03 -2.0026000000e-03 -6.3160000000e-03 -7.0800000000e-04  7.7950000000e-03  2.3313000000e-03 -5.0028000000e-03  5.8188000000e-03 -3.4957000000e-03 -1.3390000000e-04 -3.7219000000e-03 -5.8740000000e-04  5.0722000000e-03  3.7670000000e-04
+
+JOB 29
+COORDS  2.0715500000e-01 -5.3219300000e-01 -1.3258060000e+00 -1.1765600000e-01 -1.9508000000e-01 -4.9089100000e-01  8.5658800000e-01 -1.1917520000e+00 -1.0819820000e+00 -2.5522200000e-01  5.3551600000e-01  1.2094080000e+00  3.7460500000e-01  1.2281380000e+00  1.4089680000e+00 -3.2413200000e-01  3.2685000000e-02  2.0209770000e+00
+ENERGY -1.526606963186e+02
+FORCES -8.4410000000e-04  2.7615000000e-03  1.3008300000e-02  1.0522000000e-03 -2.9502000000e-03 -8.8646000000e-03 -1.5837000000e-03  1.6771000000e-03 -5.9020000000e-04  2.9957000000e-03 -2.4210000000e-04 -1.1990000000e-04 -3.1161000000e-03 -4.0986000000e-03  2.8230000000e-04  1.4961000000e-03  2.8524000000e-03 -3.7159000000e-03
+
+JOB 30
+COORDS -7.0351800000e-01  8.6876900000e-01  8.9050500000e-01 -8.9951100000e-01  4.0943000000e-01  1.7071000000e+00 -3.5835100000e-01  1.9017700000e-01  3.1032900000e-01  6.3506400000e-01 -8.2379400000e-01 -9.0540900000e-01  1.3424110000e+00 -1.1052650000e+00 -3.2518000000e-01  1.0367930000e+00 -1.6446800000e-01 -1.4712140000e+00
+ENERGY -1.526608364332e+02
+FORCES  3.6804000000e-03 -9.4870000000e-03 -7.0049000000e-03  1.8367000000e-03  3.1790000000e-04 -3.0163000000e-03 -3.1672000000e-03  7.1801000000e-03  8.4162000000e-03  4.6581000000e-03  3.2237000000e-03 -3.1990000000e-04 -4.9458000000e-03  2.3946000000e-03 -1.8472000000e-03 -2.0622000000e-03 -3.6293000000e-03  3.7722000000e-03
+
+JOB 31
+COORDS -3.1292900000e-01 -6.7818000000e-02  1.3168430000e+00  2.0445700000e-01 -8.7312300000e-01  1.3221380000e+00 -1.0824900000e-01  3.5442200000e-01  2.1511400000e+00  2.9509100000e-01  3.6503000000e-02 -1.4029830000e+00  1.0851000000e-01  9.3437700000e-01 -1.6772880000e+00  5.7099000000e-02  1.4369000000e-02 -4.7610500000e-01
+ENERGY -1.526593078422e+02
+FORCES  3.5149000000e-03  7.7230000000e-04  9.2020000000e-04 -2.5437000000e-03  6.2710000000e-03 -2.9685000000e-03 -9.8810000000e-04 -3.3323000000e-03 -3.1382000000e-03 -4.4125000000e-03  4.7375000000e-03  1.0861900000e-02  7.2090000000e-04 -2.3016000000e-03  5.9630000000e-04  3.7086000000e-03 -6.1469000000e-03 -6.2717000000e-03
+
+JOB 32
+COORDS -2.4159000000e-01 -1.2289260000e+00  7.1473200000e-01  5.4989000000e-02 -3.8640200000e-01  3.7060200000e-01 -1.0366840000e+00 -1.0212150000e+00  1.2055620000e+00  2.7946800000e-01  1.0962700000e+00 -7.1286900000e-01 -5.2117600000e-01  1.6093030000e+00 -6.0333500000e-01  9.3906000000e-01  1.7354240000e+00 -9.8241300000e-01
+ENERGY -1.526593165662e+02
+FORCES  1.9934000000e-03  1.0136100000e-02 -4.9354000000e-03 -4.1762000000e-03 -6.5293000000e-03  5.5823000000e-03  2.1865000000e-03  6.5510000000e-04 -2.2869000000e-03  7.6300000000e-05  7.3930000000e-04  1.7060000000e-04  4.3996000000e-03 -2.9431000000e-03  7.4770000000e-04 -4.4798000000e-03 -2.0582000000e-03  7.2180000000e-04
+
+JOB 33
+COORDS -6.4577600000e-01  1.2097960000e+00  8.0915000000e-02 -1.5012480000e+00  8.1731600000e-01 -9.3321000000e-02 -7.0357900000e-01  1.5198800000e+00  9.8465100000e-01  7.6328700000e-01 -1.2103520000e+00 -1.2186600000e-01  1.1508100000e-01 -1.8939660000e+00 -2.9137400000e-01  2.4534700000e-01 -4.1702100000e-01  1.4504000000e-02
+ENERGY -1.526590342618e+02
+FORCES -2.6171000000e-03  9.8930000000e-04  2.4300000000e-03  6.6531000000e-03 -9.3820000000e-04  1.6433000000e-03  1.0000000000e-07 -2.7475000000e-03 -5.0790000000e-03 -6.6317000000e-03  1.0394100000e-02  2.3420000000e-04  6.3670000000e-04  3.6223000000e-03  6.6520000000e-04  1.9589000000e-03 -1.1320000000e-02  1.0620000000e-04
+
+JOB 34
+COORDS  1.4144000000e-01  8.7376100000e-01 -1.0973260000e+00 -4.4381000000e-01  5.4143900000e-01 -4.1668100000e-01 -4.4069200000e-01  1.2950680000e+00 -1.7296660000e+00 -7.5406000000e-02 -8.3083100000e-01  1.0440200000e+00 -6.4078800000e-01 -8.4060000000e-01  1.8163410000e+00  4.4489300000e-01 -1.6309210000e+00  1.1173510000e+00
+ENERGY -1.526576436838e+02
+FORCES -2.4765000000e-03 -4.8956000000e-03  6.0712000000e-03 -1.5483000000e-03  6.4205000000e-03 -5.7740000000e-03  1.1771000000e-03 -2.4106000000e-03  3.5182000000e-03  3.8490000000e-03 -2.8591000000e-03 -8.7220000000e-04  2.0240000000e-03  7.7940000000e-04 -4.6177000000e-03 -3.0255000000e-03  2.9655000000e-03  1.6745000000e-03
+
+JOB 35
+COORDS  1.6181600000e-01  1.3883320000e+00 -3.1826100000e-01 -5.1601000000e-02  5.3738400000e-01  6.4588000000e-02  1.0126400000e-01  2.0026180000e+00  4.1332500000e-01 -8.7380000000e-02 -1.3348860000e+00  2.5216800000e-01 -6.1513100000e-01 -1.6307690000e+00 -4.8956100000e-01 -5.1576900000e-01 -1.7159160000e+00  1.0186740000e+00
+ENERGY -1.526606185271e+02
+FORCES -2.7220000000e-04 -1.0324900000e-02  4.8964000000e-03 -1.3101000000e-03  1.0819100000e-02 -2.6544000000e-03 -1.5840000000e-04 -3.2144000000e-03 -1.3772000000e-03 -2.2666000000e-03 -2.0813000000e-03 -1.6850000000e-03  2.2681000000e-03  2.0885000000e-03  4.9043000000e-03  1.7392000000e-03  2.7130000000e-03 -4.0841000000e-03
+
+JOB 36
+COORDS -3.4781000000e-02  3.7313500000e-01  1.4162680000e+00  1.4630200000e-01  2.5886500000e-01  4.8332500000e-01 -6.4920200000e-01 -3.2925400000e-01  1.6292680000e+00  5.4430000000e-02 -3.8362800000e-01 -1.3339740000e+00  7.7477400000e-01 -1.0965400000e-01 -1.9016660000e+00 -5.6477800000e-01  3.4573400000e-01 -1.3630380000e+00
+ENERGY -1.526588490389e+02
+FORCES  7.7370000000e-04 -7.9830000000e-03 -9.7059000000e-03 -3.5634000000e-03  7.3684000000e-03  5.3143000000e-03  1.1446000000e-03  2.8664000000e-03 -2.5730000000e-04  1.6920000000e-04  2.2403000000e-03 -3.5166000000e-03 -4.0845000000e-03 -6.4330000000e-04  3.5234000000e-03  5.5603000000e-03 -3.8488000000e-03  4.6421000000e-03
+
+JOB 37
+COORDS -9.2398900000e-01 -1.1183840000e+00 -1.5229700000e-01 -3.3170400000e-01 -3.6651800000e-01 -1.6361000000e-01 -4.2199700000e-01 -1.8129410000e+00  2.7411400000e-01  8.1042400000e-01  1.0918500000e+00  8.4453000000e-02  7.5051300000e-01  1.2820040000e+00  1.0206600000e+00  1.7199920000e+00  1.2857470000e+00 -1.4209200000e-01
+ENERGY -1.526608627138e+02
+FORCES  9.3992000000e-03  7.0861000000e-03  4.1680000000e-04 -7.0308000000e-03 -6.8151000000e-03  1.5550000000e-03 -1.2338000000e-03  2.3051000000e-03 -7.8250000000e-04  1.9613000000e-03 -2.0250000000e-04  1.2412000000e-03  1.0111000000e-03 -2.0266000000e-03 -5.0624000000e-03 -4.1071000000e-03 -3.4700000000e-04  2.6319000000e-03
+
+JOB 38
+COORDS  4.1134900000e-01 -1.2653910000e+00 -3.5789700000e-01  1.3657720000e+00 -1.2993790000e+00 -2.9345600000e-01  1.0813700000e-01 -1.9938770000e+00  1.8395400000e-01 -4.3473000000e-01  1.3680820000e+00  3.1998000000e-01  6.1276000000e-02  6.4173400000e-01 -5.7681000000e-02 -1.1655960000e+00  9.4900900000e-01  7.7434200000e-01
+ENERGY -1.526589867073e+02
+FORCES  1.0780000000e-04 -1.8839000000e-03  3.9329000000e-03 -5.4891000000e-03  1.7657000000e-03  1.8910000000e-04  1.9475000000e-03  3.1762000000e-03 -2.6595000000e-03  3.3370000000e-04 -1.3558100000e-02 -2.0737000000e-03  1.9425000000e-03  8.3779000000e-03  8.5100000000e-04  1.1576000000e-03  2.1222000000e-03 -2.3970000000e-04
+
+JOB 39
+COORDS -9.3976900000e-01 -8.2954700000e-01  7.2590400000e-01 -1.7082800000e+00 -3.4389300000e-01  1.0255080000e+00 -3.5128400000e-01 -1.5825300000e-01  3.8053300000e-01  9.0486800000e-01  7.2070100000e-01 -7.3251000000e-01  1.6753070000e+00  6.4921200000e-01 -1.6899800000e-01  9.9131700000e-01  1.5778990000e+00 -1.1496070000e+00
+ENERGY -1.526599740890e+02
+FORCES  4.0392000000e-03  7.9710000000e-03 -6.0767000000e-03  2.6658000000e-03 -8.1350000000e-04 -1.3419000000e-03 -3.1943000000e-03 -5.6954000000e-03  7.9092000000e-03  1.5790000000e-03  1.9902000000e-03 -7.4880000000e-04 -5.8137000000e-03  6.8040000000e-04 -1.9862000000e-03  7.2410000000e-04 -4.1326000000e-03  2.2445000000e-03
+
+JOB 40
+COORDS  3.6996000000e-01  9.2573900000e-01 -9.8348500000e-01  6.5958000000e-01  1.6614890000e+00 -4.4401800000e-01 -4.9972600000e-01  1.1813240000e+00 -1.2909810000e+00 -3.5537500000e-01 -1.0564850000e+00  9.7666500000e-01 -4.7252000000e-02 -4.3781000000e-01  1.6388840000e+00 -4.1071000000e-01 -5.3978800000e-01  1.7280300000e-01
+ENERGY -1.526570879522e+02
+FORCES  3.6540000000e-04  4.5730000000e-03  1.6670000000e-03 -2.1409000000e-03 -4.0003000000e-03 -2.0958000000e-03  3.9027000000e-03 -3.9864000000e-03  4.1747000000e-03  5.5448000000e-03  9.7232000000e-03 -6.6024000000e-03 -1.1478000000e-03 -1.7105000000e-03 -9.9600000000e-04 -6.5242000000e-03 -4.5989000000e-03  3.8525000000e-03
+
+JOB 41
+COORDS  1.0966100000e+00 -6.1097700000e-01  5.3963800000e-01  1.4295160000e+00 -1.5010890000e+00  4.2515500000e-01  1.8793510000e+00 -6.0025000000e-02  5.3863700000e-01 -1.2216500000e+00  5.9731700000e-01 -5.4090900000e-01 -1.0331470000e+00  1.5285550000e+00 -6.5707000000e-01 -3.8007300000e-01  2.1039700000e-01 -2.9951300000e-01
+ENERGY -1.526604659840e+02
+FORCES  1.7394000000e-03 -1.8291000000e-03 -7.0400000000e-04 -3.1420000000e-04  4.8562000000e-03  1.0152000000e-03 -4.2999000000e-03 -2.6304000000e-03 -7.1070000000e-04  9.5941000000e-03 -3.2375000000e-03  4.3396000000e-03  6.2860000000e-04 -2.9777000000e-03  6.9330000000e-04 -7.3480000000e-03  5.8184000000e-03 -4.6334000000e-03
+
+JOB 42
+COORDS -1.0878410000e+00  8.2088700000e-01  2.0728900000e-01 -2.0114700000e+00  9.0348400000e-01  4.4460600000e-01 -1.0036340000e+00  1.3184050000e+00 -6.0611000000e-01  1.1673370000e+00 -8.9187800000e-01 -1.3281100000e-01  1.3942600000e+00 -6.8802400000e-01 -1.0401040000e+00  3.5396100000e-01 -4.1244800000e-01  2.4664000000e-02
+ENERGY -1.526596408584e+02
+FORCES -2.7178000000e-03  5.9660000000e-04 -7.3090000000e-04  4.1842000000e-03  1.1682000000e-03 -2.1134000000e-03  1.5380000000e-04 -3.9793000000e-03  3.6324000000e-03 -8.3498000000e-03  5.7023000000e-03  1.4970000000e-04 -1.4340000000e-03  3.8580000000e-04  2.6560000000e-03  8.1635000000e-03 -3.8735000000e-03 -3.5938000000e-03
+
+JOB 43
+COORDS -1.3604300000e-01 -6.7666600000e-01 -1.2954720000e+00  9.0460000000e-03 -2.2834500000e-01 -4.6229200000e-01  6.1447300000e-01 -4.2865100000e-01 -1.8353290000e+00  9.6316000000e-02  6.6503500000e-01  1.2207910000e+00  4.9973500000e-01  8.1279100000e-01  2.0761580000e+00 -5.6521500000e-01 -8.0910000000e-03  1.3805070000e+00
+ENERGY -1.526586099285e+02
+FORCES  5.6591000000e-03  6.8324000000e-03  5.2373000000e-03 -6.4764000000e-03 -6.2191000000e-03 -2.0821000000e-03 -2.1978000000e-03 -1.0396000000e-03  1.2472000000e-03  4.0300000000e-04 -1.7644000000e-03  3.7483000000e-03 -3.1409000000e-03 -6.6330000000e-04 -3.1861000000e-03  5.7530000000e-03  2.8540000000e-03 -4.9647000000e-03
+
+JOB 44
+COORDS -5.2688700000e-01  2.1015400000e-01 -1.3399130000e+00 -1.9494400000e-01 -2.0092600000e-01 -5.4175300000e-01 -6.5639300000e-01 -5.1723400000e-01 -1.9484900000e+00  5.4805900000e-01 -1.6276000000e-01  1.2766190000e+00  7.6874800000e-01  5.9585300000e-01  1.8170210000e+00 -2.3102500000e-01 -5.3392700000e-01  1.6907390000e+00
+ENERGY -1.526597640072e+02
+FORCES  5.0949000000e-03 -2.4300000000e-03  6.8171000000e-03 -6.9071000000e-03 -1.8809000000e-03 -7.9245000000e-03  7.4150000000e-04  1.6720000000e-03  3.5998000000e-03 -1.0900000000e-03  5.4058000000e-03  2.7656000000e-03 -1.2708000000e-03 -4.4906000000e-03 -7.4910000000e-04  3.4315000000e-03  1.7237000000e-03 -4.5089000000e-03
+
+JOB 45
+COORDS  8.5673600000e-01 -1.0137540000e+00 -3.9022100000e-01  5.0339600000e-01 -1.8835510000e+00 -5.7686200000e-01  1.6001800000e+00 -1.1762520000e+00  1.9039700000e-01 -8.7711500000e-01  1.1425370000e+00  3.5683600000e-01 -2.4933900000e-01  4.6543500000e-01  1.0452500000e-01 -1.5833430000e+00  6.6488400000e-01  7.9194600000e-01
+ENERGY -1.526611626838e+02
+FORCES  3.3560000000e-04 -3.0218000000e-03  1.1500000000e-03  2.3123000000e-03  3.8442000000e-03  1.7791000000e-03 -4.2997000000e-03  1.8750000000e-04 -2.8359000000e-03  4.9497000000e-03 -1.0150200000e-02 -2.1576000000e-03 -5.2454000000e-03  8.0907000000e-03  3.3810000000e-03  1.9474000000e-03  1.0495000000e-03 -1.3167000000e-03
+
+JOB 46
+COORDS  5.2595400000e-01  9.6028300000e-01  8.5333700000e-01  8.6327700000e-01  1.6341820000e+00  2.6316300000e-01  3.4401100000e-01  1.4255370000e+00  1.6698340000e+00 -5.9114500000e-01 -1.0445870000e+00 -8.9944300000e-01  2.5380400000e-01 -1.4900180000e+00 -8.3711600000e-01 -4.8440900000e-01 -2.5266500000e-01 -3.7247100000e-01
+ENERGY -1.526606208903e+02
+FORCES  4.0950000000e-04  3.2466000000e-03  1.9534000000e-03 -2.5815000000e-03 -3.9806000000e-03  2.7884000000e-03  1.6869000000e-03 -1.3633000000e-03 -4.2921000000e-03  6.1411000000e-03  5.1891000000e-03  8.2862000000e-03 -2.4616000000e-03  5.5030000000e-04 -1.4623000000e-03 -3.1943000000e-03 -3.6420000000e-03 -7.2736000000e-03
+
+JOB 47
+COORDS -1.2488830000e+00 -3.7485200000e-01  4.9432900000e-01 -1.2409050000e+00 -3.3217900000e-01  1.4505440000e+00 -2.0387480000e+00  1.0196900000e-01  2.3940500000e-01  1.3527110000e+00  3.2238800000e-01 -5.0723000000e-01  4.5175300000e-01  1.9116100000e-01 -2.1179000000e-01  1.2699490000e+00  8.4436500000e-01 -1.3053050000e+00
+ENERGY -1.526612525523e+02
+FORCES -2.6051000000e-03  1.1461000000e-03  3.0213000000e-03 -4.4860000000e-04  4.0530000000e-04 -5.3110000000e-03  4.2403000000e-03 -1.9997000000e-03  1.5102000000e-03 -1.0439500000e-02 -1.8215000000e-03  1.1502000000e-03  9.9750000000e-03  3.7544000000e-03 -2.9070000000e-03 -7.2220000000e-04 -1.4845000000e-03  2.5362000000e-03
+
+JOB 48
+COORDS  1.1056900000e+00 -1.0052020000e+00  5.7530000000e-03  4.7798100000e-01 -2.8358000000e-01  4.4147000000e-02  5.7362800000e-01 -1.7924930000e+00  1.2113800000e-01 -9.8314200000e-01  1.0018180000e+00  1.9796000000e-02 -1.0960450000e+00  1.3802670000e+00 -8.5213400000e-01 -1.8596280000e+00  7.0945500000e-01  2.6985100000e-01
+ENERGY -1.526610960992e+02
+FORCES -9.6533000000e-03  5.7051000000e-03  1.0732000000e-03  7.8024000000e-03 -6.7474000000e-03 -1.0715000000e-03  1.2334000000e-03  2.2219000000e-03 -3.0920000000e-04 -3.6676000000e-03  1.7400000000e-05 -2.3092000000e-03  9.1100000000e-05 -2.4346000000e-03  4.6074000000e-03  4.1941000000e-03  1.2375000000e-03 -1.9907000000e-03
+
+JOB 49
+COORDS  5.3543800000e-01  1.1745680000e+00  7.4687600000e-01  1.4828070000e+00  1.0442740000e+00  7.8866400000e-01  1.9018900000e-01  3.3234800000e-01  4.5073500000e-01 -5.1492500000e-01 -1.0860960000e+00 -7.0959000000e-01 -9.9450000000e-01 -1.8009010000e+00 -2.9090900000e-01 -1.0047880000e+00 -9.0606100000e-01 -1.5119940000e+00
+ENERGY -1.526615496325e+02
+FORCES -9.4150000000e-04 -8.6968000000e-03 -5.2640000000e-03 -2.9072000000e-03  1.1240000000e-04 -1.8070000000e-04  3.5104000000e-03  6.9527000000e-03  6.6283000000e-03 -3.5764000000e-03  3.0150000000e-04 -2.9236000000e-03  2.2150000000e-03  3.9015000000e-03 -2.0500000000e-03  1.6998000000e-03 -2.5713000000e-03  3.7900000000e-03
+
+JOB 50
+COORDS  3.0458700000e-01  1.3608840000e+00 -5.4969200000e-01  8.5305000000e-02  4.5040100000e-01 -3.5178300000e-01  8.1571400000e-01  1.6540540000e+00  2.0465000000e-01 -2.7325900000e-01 -1.2897300000e+00  4.6668000000e-01 -9.7208200000e-01 -1.0048750000e+00  1.0555230000e+00 -3.9997000000e-01 -2.2348430000e+00  3.8339100000e-01
+ENERGY -1.526606436518e+02
+FORCES  1.5494000000e-03 -8.8235000000e-03  3.8992000000e-03 -9.4700000000e-04  9.2019000000e-03 -5.5420000000e-04 -2.1834000000e-03 -5.7000000000e-04 -1.9247000000e-03 -2.1769000000e-03 -3.2209000000e-03  2.2740000000e-04  4.1618000000e-03 -7.8890000000e-04 -3.6526000000e-03 -4.0400000000e-04  4.2016000000e-03  2.0049000000e-03
+
+JOB 51
+COORDS  3.7459900000e-01  5.3471700000e-01  1.3358740000e+00  8.7804000000e-02  1.9663200000e-01  4.8753600000e-01  7.1309700000e-01 -2.3223100000e-01  1.7978710000e+00 -3.1013800000e-01 -4.7116200000e-01 -1.3016970000e+00 -9.2961100000e-01  2.2183200000e-01 -1.5302660000e+00 -8.2805600000e-01 -1.2755750000e+00 -1.3318930000e+00
+ENERGY -1.526608061938e+02
+FORCES -1.9000000000e-04 -6.9312000000e-03 -8.9960000000e-03 -3.3300000000e-04  5.6020000000e-03  9.1412000000e-03 -1.3792000000e-03  1.9584000000e-03 -1.3294000000e-03 -4.2164000000e-03 -1.0575000000e-03 -2.7549000000e-03  3.5603000000e-03 -3.9494000000e-03  3.3482000000e-03  2.5583000000e-03  4.3778000000e-03  5.9090000000e-04
+
+JOB 52
+COORDS  1.3922130000e+00  4.4837400000e-01  2.2123700000e-01  1.5222130000e+00  1.2380870000e+00  7.4629500000e-01  4.5137000000e-01  2.7932700000e-01  2.7093100000e-01 -1.3001280000e+00 -4.4795300000e-01 -2.9770100000e-01 -1.2581810000e+00 -1.3803270000e+00 -8.5215000000e-02 -2.0657860000e+00 -1.2738500000e-01  1.7899200000e-01
+ENERGY -1.526606219208e+02
+FORCES -9.3461000000e-03 -2.8270000000e-04 -1.0557000000e-03 -1.7836000000e-03 -2.5850000000e-03 -1.5659000000e-03  1.0122600000e-02  2.5454000000e-03  4.0916000000e-03 -3.3490000000e-03 -3.7744000000e-03  4.9910000000e-04 -3.0400000000e-04  5.5606000000e-03 -2.6170000000e-04  4.6599000000e-03 -1.4640000000e-03 -1.7074000000e-03
+
+JOB 53
+COORDS -7.7199100000e-01  1.1223710000e+00  3.6174900000e-01 -9.1951600000e-01  1.3170510000e+00  1.2872580000e+00 -1.6324660000e+00  1.2241240000e+00 -4.5019000000e-02  8.8613300000e-01 -1.1300510000e+00 -4.3589800000e-01  6.5757100000e-01 -1.9355860000e+00  2.7895000000e-02  2.1601500000e-01 -5.0092300000e-01 -1.6874300000e-01
+ENERGY -1.526610638301e+02
+FORCES -2.8328000000e-03  2.6381000000e-03  2.3423000000e-03 -2.6180000000e-04 -1.1225000000e-03 -4.7748000000e-03  4.2577000000e-03 -1.1309000000e-03  2.7086000000e-03 -6.1816000000e-03  5.7786000000e-03  3.9370000000e-03  1.1130000000e-04  3.1001000000e-03 -9.5730000000e-04  4.9071000000e-03 -9.2634000000e-03 -3.2558000000e-03
+
+JOB 54
+COORDS -5.0007800000e-01  1.2918710000e+00  2.7438800000e-01 -5.3796100000e-01  1.9767850000e+00  9.4198800000e-01 -4.5188300000e-01  1.7674670000e+00 -5.5490000000e-01  5.1463900000e-01 -1.4008090000e+00 -2.1636600000e-01  7.6517800000e-01 -1.4400290000e+00 -1.1393630000e+00 -2.8250000000e-03 -5.9897600000e-01 -1.4201800000e-01
+ENERGY -1.526593850358e+02
+FORCES  1.4128000000e-03  3.5459000000e-03  2.1726000000e-03 -1.0360000000e-04 -1.5158000000e-03 -4.2213000000e-03  4.1000000000e-05 -3.2543000000e-03  3.6542000000e-03 -2.7116000000e-03  8.1308000000e-03  1.3180000000e-04 -1.1010000000e-03  1.1550000000e-03  2.8028000000e-03  2.4623000000e-03 -8.0616000000e-03 -4.5402000000e-03
+
+JOB 55
+COORDS -1.1861000000e-01 -1.2993830000e+00  5.6267900000e-01  5.7079000000e-02 -1.2344870000e+00  1.5013770000e+00 -8.6994900000e-01 -1.8890520000e+00  4.9935000000e-01  1.8070400000e-01  1.3834040000e+00 -5.6643500000e-01  5.1810000000e-03  4.6707600000e-01 -3.5250300000e-01 -6.5016000000e-02  1.4660410000e+00 -1.4878600000e+00
+ENERGY -1.526617333326e+02
+FORCES -1.7681000000e-03 -1.5872000000e-03  4.4337000000e-03 -1.5967000000e-03 -1.1836000000e-03 -4.5976000000e-03  3.6078000000e-03  2.6959000000e-03  7.0320000000e-04 -1.4408000000e-03 -8.8404000000e-03  5.3810000000e-04  9.1700000000e-04  1.0006400000e-02 -4.0328000000e-03  2.8080000000e-04 -1.0911000000e-03  2.9555000000e-03
+
+JOB 56
+COORDS  1.1605740000e+00  9.7333900000e-01 -2.2986900000e-01  3.5724400000e-01  5.4381300000e-01  6.4069000000e-02  1.7490390000e+00  2.5298100000e-01 -4.5575500000e-01 -1.1092520000e+00 -8.6609800000e-01  2.7238400000e-01 -1.9911960000e+00 -7.0218200000e-01 -6.1590000000e-02 -8.4600100000e-01 -1.6893140000e+00 -1.3901100000e-01
+ENERGY -1.526604842443e+02
+FORCES -6.2130000000e-03 -8.0509000000e-03  1.8375000000e-03  7.2546000000e-03  6.2114000000e-03 -1.7076000000e-03 -1.5673000000e-03  1.8830000000e-03  2.9800000000e-04 -2.7958000000e-03 -2.8338000000e-03 -3.5735000000e-03  4.3315000000e-03 -1.4293000000e-03  1.4213000000e-03 -1.0100000000e-03  4.2196000000e-03  1.7242000000e-03
+
+JOB 57
+COORDS  1.2960450000e+00 -3.8821000000e-01  4.6749900000e-01  1.6176720000e+00 -1.2705190000e+00  2.8224700000e-01  2.0566830000e+00  7.6047000000e-02  8.1696700000e-01 -1.4054930000e+00  4.0757600000e-01 -5.3490200000e-01 -1.4856940000e+00  9.0575400000e-01  2.7849700000e-01 -5.6698100000e-01 -4.7299000000e-02 -4.5604500000e-01
+ENERGY -1.526600648423e+02
+FORCES  4.4450000000e-03  2.7440000000e-04  1.0376000000e-03 -1.7993000000e-03  4.5615000000e-03  4.3150000000e-04 -2.8667000000e-03 -3.1764000000e-03 -1.0034000000e-03  8.5211000000e-03 -5.3890000000e-04  6.0671000000e-03 -1.1899000000e-03 -5.2120000000e-04 -2.6415000000e-03 -7.1103000000e-03 -5.9940000000e-04 -3.8913000000e-03
+
+JOB 58
+COORDS  1.1218230000e+00 -9.9875000000e-01  3.6705900000e-01  3.6627900000e-01 -4.5191500000e-01  1.5175100000e-01  1.8593220000e+00 -5.7130600000e-01 -6.8394000000e-02 -1.1294190000e+00  9.6025800000e-01 -2.6584200000e-01 -1.4878860000e+00  2.1565600000e-01 -7.4885400000e-01 -6.2337600000e-01  1.4471070000e+00 -9.1632700000e-01
+ENERGY -1.526580663681e+02
+FORCES -3.6836000000e-03  8.0111000000e-03 -1.0228000000e-03  5.3400000000e-03 -7.9467000000e-03 -2.3063000000e-03 -2.8975000000e-03 -1.1896000000e-03  8.9350000000e-04 -3.0269000000e-03  2.3895000000e-03 -5.4792000000e-03  5.3915000000e-03  2.7782000000e-03  4.0136000000e-03 -1.1234000000e-03 -4.0425000000e-03  3.9011000000e-03
+
+JOB 59
+COORDS  4.2078700000e-01 -1.4756180000e+00 -3.4208600000e-01 -4.7191400000e-01 -1.1884890000e+00 -1.5005700000e-01  9.6898800000e-01 -7.2568300000e-01 -1.1121000000e-01 -3.4802700000e-01  1.3967100000e+00  2.7497000000e-01 -3.1993400000e-01  1.6977800000e+00  1.1831550000e+00 -1.2801140000e+00  1.3742420000e+00  5.8312000000e-02
+ENERGY -1.526572054214e+02
+FORCES -2.2005000000e-03  1.0436200000e-02  2.4311000000e-03  9.6400000000e-05 -3.5117000000e-03 -1.0971000000e-03  1.6806000000e-03 -5.5748000000e-03 -4.8710000000e-04 -4.0141000000e-03  2.3144000000e-03  1.9623000000e-03  8.8100000000e-05 -2.1843000000e-03 -4.3499000000e-03  4.3495000000e-03 -1.4797000000e-03  1.5408000000e-03
+
+JOB 60
+COORDS -9.5777000000e-01  9.1338700000e-01 -7.5478100000e-01 -1.6577130000e+00  1.4827510000e+00 -4.3519300000e-01 -5.4615300000e-01  5.7065600000e-01  3.8528000000e-02  9.7734800000e-01 -9.3307200000e-01  6.1750100000e-01  5.5375500000e-01 -1.5424630000e+00  1.2220210000e+00  1.3478440000e+00 -2.5417900000e-01  1.1814780000e+00
+ENERGY -1.526565650796e+02
+FORCES  2.2144000000e-03 -3.1545000000e-03  4.1922000000e-03  3.2855000000e-03 -2.8910000000e-03 -1.8130000000e-04 -5.0347000000e-03  7.2407000000e-03 -1.4213000000e-03  3.1146000000e-03 -3.3236000000e-03  3.8018000000e-03  1.4215000000e-03  4.1360000000e-03 -2.8880000000e-03 -5.0012000000e-03 -2.0078000000e-03 -3.5034000000e-03
+
+JOB 61
+COORDS  6.4023500000e-01  9.7393300000e-01  1.0083160000e+00  4.2174100000e-01  4.5463800000e-01  2.3447700000e-01  1.4037910000e+00  1.4875700000e+00  7.4489500000e-01 -6.8727500000e-01 -9.4716000000e-01 -8.8158400000e-01  2.6813000000e-02 -1.5165430000e+00 -1.1681380000e+00 -1.2333930000e+00 -8.3690200000e-01 -1.6599360000e+00
+ENERGY -1.526596039674e+02
+FORCES -2.1346000000e-03 -2.8236000000e-03 -5.9280000000e-03  7.1198000000e-03  5.1179000000e-03  5.6305000000e-03 -2.7797000000e-03 -2.4623000000e-03  4.4400000000e-05 -2.6093000000e-03 -3.2295000000e-03 -4.6683000000e-03 -2.6192000000e-03  4.7724000000e-03  1.5937000000e-03  3.0230000000e-03 -1.3749000000e-03  3.3276000000e-03
+
+JOB 62
+COORDS  6.8460300000e-01  1.0944490000e+00  8.8755000000e-01  4.6998000000e-01  4.4681800000e-01  2.1617700000e-01  2.7839200000e-01  7.5641400000e-01  1.6856460000e+00 -6.7422200000e-01 -1.0212750000e+00 -8.3211200000e-01 -3.6586700000e-01 -4.7814200000e-01 -1.5574780000e+00 -6.0064100000e-01 -1.9189070000e+00 -1.1562650000e+00
+ENERGY -1.526585173740e+02
+FORCES -5.4211000000e-03 -8.2260000000e-03 -1.2750000000e-04  3.5449000000e-03  7.0442000000e-03 -1.0277000000e-03  2.0878000000e-03  2.1185000000e-03 -1.4531000000e-03 -8.9300000000e-05 -3.5784000000e-03 -4.9221000000e-03  7.7790000000e-04 -1.7887000000e-03  6.6314000000e-03 -9.0020000000e-04  4.4305000000e-03  8.9900000000e-04
+
+JOB 63
+COORDS -1.5687600000e-01  1.0195990000e+00 -1.1664850000e+00  1.5259600000e-01  3.5947200000e-01 -5.4625100000e-01  5.3412000000e-01  1.6819080000e+00 -1.1767250000e+00  1.5426000000e-01 -9.9040300000e-01  1.1007960000e+00 -5.6001600000e-01 -5.0457200000e-01  1.5131190000e+00 -8.3712000000e-02 -1.9104310000e+00  1.2154730000e+00
+ENERGY -1.526613176145e+02
+FORCES  4.6515000000e-03 -3.8729000000e-03  3.9453000000e-03 -2.6527000000e-03  8.1497000000e-03 -5.1846000000e-03 -2.3548000000e-03 -2.3818000000e-03  5.1940000000e-04 -4.2736000000e-03 -3.8656000000e-03  3.0281000000e-03  4.0641000000e-03 -2.3362000000e-03 -2.9383000000e-03  5.6550000000e-04  4.3068000000e-03  6.3000000000e-04
+
+JOB 64
+COORDS  1.2519150000e+00 -1.2549400000e-01 -8.4168800000e-01  1.2336070000e+00 -1.0549160000e+00 -1.0698810000e+00  1.0683060000e+00  3.2736300000e-01 -1.6647550000e+00 -1.2799520000e+00  9.4056000000e-02  8.9003700000e-01 -4.1568600000e-01  2.9445000000e-01  5.3070700000e-01 -1.4852590000e+00  8.4112600000e-01  1.4521470000e+00
+ENERGY -1.526611756637e+02
+FORCES  2.1760000000e-04 -3.9220000000e-03 -5.8968000000e-03  5.2740000000e-04  4.7190000000e-03  4.2510000000e-04  6.4270000000e-04 -1.9854000000e-03  4.1655000000e-03  6.1471000000e-03  2.2275000000e-03 -1.3850000000e-03 -8.8887000000e-03  1.1625000000e-03  5.1750000000e-03  1.3539000000e-03 -2.2017000000e-03 -2.4838000000e-03
+
+JOB 65
+COORDS -5.5439200000e-01 -1.3759810000e+00  5.5828800000e-01 -1.1206300000e-01 -2.0760580000e+00  7.8216000000e-02 -3.3684800000e-01 -5.7894200000e-01  7.4930000000e-02  5.5328600000e-01  1.3441360000e+00 -4.5447600000e-01  5.7928300000e-01  1.2783770000e+00 -1.4090610000e+00 -2.1617500000e-01  1.8834330000e+00 -2.7193800000e-01
+ENERGY -1.526593648575e+02
+FORCES  5.5521000000e-03  4.6976000000e-03 -3.7416000000e-03 -1.5803000000e-03  2.5341000000e-03  1.1299000000e-03 -5.8421000000e-03 -7.9891000000e-03  1.4493000000e-03 -6.8520000000e-04  6.5086000000e-03 -2.8215000000e-03 -9.6800000000e-04 -1.4404000000e-03  5.3021000000e-03  3.5234000000e-03 -4.3108000000e-03 -1.3182000000e-03
+
+JOB 66
+COORDS -3.7679000000e-01  1.0272610000e+00  1.1383660000e+00 -1.6287300000e-01  5.7448100000e-01  3.2260700000e-01 -5.0275500000e-01  1.9403250000e+00  8.8014400000e-01  3.4197000000e-01 -9.8846700000e-01 -1.0756660000e+00 -8.4307000000e-02 -1.8298090000e+00 -9.1237900000e-01  1.2551850000e+00 -1.2128100000e+00 -1.2543840000e+00
+ENERGY -1.526615913290e+02
+FORCES  1.2736000000e-03 -1.7951000000e-03 -6.7526000000e-03 -2.5864000000e-03  6.9650000000e-03  7.3257000000e-03  7.3320000000e-04 -3.2118000000e-03  3.9330000000e-04  2.2960000000e-03 -6.0015000000e-03 -1.7300000000e-04  2.6481000000e-03  3.5511000000e-03 -1.3071000000e-03 -4.3644000000e-03  4.9230000000e-04  5.1360000000e-04
+
+JOB 67
+COORDS -9.3713100000e-01 -1.1136340000e+00 -4.1368200000e-01 -5.8037900000e-01 -1.1839190000e+00 -1.2991310000e+00 -1.8834760000e+00 -1.1998590000e+00 -5.2869100000e-01  9.8743600000e-01  1.1694390000e+00  4.2609800000e-01  1.3330630000e+00  1.0796860000e+00  1.3141960000e+00  3.6261300000e-01  4.4968800000e-01  3.3786400000e-01
+ENERGY -1.526614532359e+02
+FORCES -4.2504000000e-03 -1.6524000000e-03 -4.7564000000e-03 -2.0064000000e-03  7.4370000000e-04  4.6803000000e-03  4.3138000000e-03 -4.0430000000e-04 -3.1200000000e-04 -4.0408000000e-03 -5.6234000000e-03  2.2109000000e-03 -1.3482000000e-03  2.1540000000e-04 -2.8672000000e-03  7.3319000000e-03  6.7210000000e-03  1.0444000000e-03
+
+JOB 68
+COORDS -5.5145800000e-01 -6.1101600000e-01 -1.3861330000e+00 -5.2841600000e-01  7.1470000000e-03 -6.5567100000e-01 -1.2615160000e+00 -2.9555300000e-01 -1.9451790000e+00  5.8990400000e-01  5.1392100000e-01  1.3236690000e+00  3.6337400000e-01  3.5579900000e-01  2.2401370000e+00  7.6601700000e-01  1.4537040000e+00  1.2786910000e+00
+ENERGY -1.526584717306e+02
+FORCES -6.7830000000e-04  3.4261000000e-03  4.0554000000e-03 -3.2191000000e-03 -1.6883000000e-03 -8.3758000000e-03  2.7127000000e-03 -6.3960000000e-04  2.6108000000e-03  1.8581000000e-03  1.9482000000e-03  6.2333000000e-03  1.3911000000e-03  1.4574000000e-03 -3.9785000000e-03 -2.0645000000e-03 -4.5039000000e-03 -5.4520000000e-04
+
+JOB 69
+COORDS -7.5339600000e-01  2.1939100000e-01  1.3842610000e+00  3.9826000000e-02  7.1769900000e-01  1.1874850000e+00 -1.2042760000e+00  7.3895300000e-01  2.0498390000e+00  7.4494700000e-01 -2.4485100000e-01 -1.4722410000e+00  9.2277200000e-01  1.1707700000e-01 -6.0412900000e-01  4.0866600000e-01 -1.1245630000e+00 -1.3012080000e+00
+ENERGY -1.526524011445e+02
+FORCES -1.8960000000e-04  5.6173000000e-03  2.6858000000e-03 -9.9690000000e-04 -4.3763000000e-03 -2.3172000000e-03  1.9211000000e-03 -2.4362000000e-03 -3.0415000000e-03 -3.5001000000e-03 -3.5480000000e-03  5.4224000000e-03  1.9810000000e-04  1.6217000000e-03 -5.4260000000e-04  2.5674000000e-03  3.1214000000e-03 -2.2068000000e-03
+
+JOB 70
+COORDS -7.3266200000e-01 -6.6329800000e-01 -1.3339970000e+00 -6.3702400000e-01  7.3147000000e-02 -1.9379290000e+00  1.1799600000e-01 -7.2996000000e-01 -9.0021100000e-01  6.7680100000e-01  5.9959100000e-01  1.2785840000e+00  1.3255060000e+00  3.7956300000e-01  1.9471660000e+00  8.2796000000e-02  1.2118200000e+00  1.7128250000e+00
+ENERGY -1.526571792754e+02
+FORCES  5.3334000000e-03  4.0666000000e-03  2.6881000000e-03 -8.8600000000e-04 -2.6269000000e-03  1.7319000000e-03 -3.1657000000e-03 -2.4769000000e-03 -5.2869000000e-03 -1.9677000000e-03  2.4285000000e-03  5.1801000000e-03 -2.8382000000e-03  6.3620000000e-04 -3.2250000000e-03  3.5242000000e-03 -2.0275000000e-03 -1.0882000000e-03
+
+JOB 71
+COORDS  3.6992800000e-01  2.3612100000e-01  1.6205400000e+00  1.2130500000e-01  3.5487000000e-01  7.0385300000e-01  1.0005490000e+00  9.3582200000e-01  1.7907380000e+00 -4.1374300000e-01 -2.9906600000e-01 -1.5136790000e+00  2.2037900000e-01  3.6879000000e-01 -1.7746180000e+00 -6.9240000000e-01 -7.0010100000e-01 -2.3369370000e+00
+ENERGY -1.526565600366e+02
+FORCES -3.2800000000e-04  1.2980000000e-03 -4.3711000000e-03  3.8559000000e-03  3.0769000000e-03  5.9165000000e-03 -2.3117000000e-03 -2.6147000000e-03 -1.4544000000e-03 -1.6100000000e-05 -1.5962000000e-03 -6.6308000000e-03 -2.9548000000e-03 -2.4067000000e-03  3.6697000000e-03  1.7546000000e-03  2.2426000000e-03  2.8701000000e-03
+
+JOB 72
+COORDS  7.9785100000e-01  1.5071160000e+00 -1.2647200000e-01  1.4582830000e+00  8.4489300000e-01  7.7299000000e-02 -2.6037000000e-02  1.0211880000e+00 -1.6272300000e-01 -7.5201400000e-01 -1.4085690000e+00  6.4931000000e-02 -1.4370780000e+00 -2.0583750000e+00 -9.2139000000e-02 -7.1350400000e-01 -1.3259770000e+00  1.0177840000e+00
+ENERGY -1.526582934215e+02
+FORCES -1.6664000000e-03 -7.2597000000e-03 -1.3370000000e-03 -1.5292000000e-03  3.3647000000e-03  4.4450000000e-04  3.5639000000e-03  5.4699000000e-03  1.9129000000e-03 -3.6813000000e-03 -4.9974000000e-03  2.6169000000e-03  3.0985000000e-03  2.6658000000e-03  1.3163000000e-03  2.1450000000e-04  7.5670000000e-04 -4.9536000000e-03
+
+JOB 73
+COORDS -3.4106400000e-01 -9.6217000000e-01 -1.3007310000e+00  2.6138000000e-02 -6.4955400000e-01 -2.1275720000e+00 -1.1044660000e+00 -4.0445100000e-01 -1.1510710000e+00  3.5031100000e-01  9.1262000000e-01  1.4062290000e+00  1.1319090000e+00  5.7449900000e-01  9.6918200000e-01 -1.9903100000e-01  1.2417370000e+00  6.9479600000e-01
+ENERGY -1.526541417886e+02
+FORCES -3.2781000000e-03  1.6126000000e-03 -3.1261000000e-03 -1.0767000000e-03 -6.9890000000e-04  4.5492000000e-03  4.2650000000e-03 -8.4060000000e-04 -4.0150000000e-04  1.5177000000e-03 -2.9562000000e-03 -6.5945000000e-03 -1.7911000000e-03  3.1441000000e-03  3.0715000000e-03  3.6320000000e-04 -2.6110000000e-04  2.5014000000e-03
+
+JOB 74
+COORDS -2.5957600000e-01 -1.1108200000e-01  1.6975300000e+00 -8.8290700000e-01 -8.3296000000e-01  1.7786700000e+00  4.0790400000e-01 -2.9492700000e-01  2.3585160000e+00  2.8026700000e-01  2.2770600000e-01 -1.7310710000e+00 -1.8706200000e-01 -2.0677100000e-01 -2.4445590000e+00  4.0263300000e-01 -4.5629500000e-01 -1.0727380000e+00
+ENERGY -1.526550469066e+02
+FORCES -7.2050000000e-04 -2.1733000000e-03  5.2519000000e-03  3.3063000000e-03  2.7451000000e-03 -1.3356000000e-03 -2.9271000000e-03  5.4260000000e-04 -3.3219000000e-03 -1.4313000000e-03 -3.8595000000e-03  2.1875000000e-03  1.5901000000e-03  1.5818000000e-03  3.0616000000e-03  1.8240000000e-04  1.1633000000e-03 -5.8436000000e-03
+
+JOB 75
+COORDS  4.6864200000e-01 -1.1124300000e+00  1.3550430000e+00  1.3294270000e+00 -8.4049500000e-01  1.0367130000e+00  1.0481600000e-01 -3.2705900000e-01  1.7637670000e+00 -5.5125500000e-01  1.0330640000e+00 -1.3328770000e+00  2.8177300000e-01  1.2137560000e+00 -8.9739100000e-01 -3.6820900000e-01  1.1611210000e+00 -2.2636440000e+00
+ENERGY -1.526524864778e+02
+FORCES  5.5630000000e-04  3.8760000000e-03 -5.2100000000e-05 -3.4732000000e-03 -2.8280000000e-04  8.9600000000e-04  2.5736000000e-03 -3.0443000000e-03 -1.5055000000e-03  3.9988000000e-03  2.0160000000e-04 -2.3528000000e-03 -2.9824000000e-03 -1.5000000000e-04 -9.7550000000e-04 -6.7310000000e-04 -6.0060000000e-04  3.9898000000e-03
+
+JOB 76
+COORDS  1.1055470000e+00 -1.3195620000e+00  4.4738200000e-01  5.3528000000e-01 -1.6049270000e+00  1.1612410000e+00  1.9926040000e+00 -1.4358170000e+00  7.8774200000e-01 -1.0860370000e+00  1.3922580000e+00 -4.7756300000e-01 -9.1870400000e-01  4.5599900000e-01 -3.6962200000e-01 -1.8722240000e+00  1.4343380000e+00 -1.0219630000e+00
+ENERGY -1.526562376353e+02
+FORCES  3.9616000000e-03 -1.5533000000e-03  4.8274000000e-03  1.4823000000e-03  1.7631000000e-03 -3.8812000000e-03 -3.8021000000e-03 -3.0550000000e-04 -1.0889000000e-03 -5.9410000000e-04 -4.4558000000e-03 -2.0680000000e-03 -4.0966000000e-03  4.8181000000e-03 -1.7000000000e-05  3.0489000000e-03 -2.6670000000e-04  2.2278000000e-03
+
+JOB 77
+COORDS  9.9093600000e-01 -1.0129010000e+00  1.2993730000e+00  8.6252100000e-01 -9.2347700000e-01  3.5505100000e-01  3.0834800000e-01 -4.6534800000e-01  1.6873070000e+00 -9.3991500000e-01  1.0433600000e+00 -1.2578410000e+00 -1.7339280000e+00  5.0905100000e-01 -1.2408570000e+00 -2.3512600000e-01  4.2031200000e-01 -1.4348020000e+00
+ENERGY -1.526535108063e+02
+FORCES -3.6253000000e-03  4.0390000000e-03 -1.5925000000e-03  4.2560000000e-04 -7.9240000000e-04  1.9425000000e-03  3.0117000000e-03 -3.3572000000e-03 -1.0816000000e-03 -1.3708000000e-03 -3.7495000000e-03 -2.8125000000e-03  4.0057000000e-03  2.2966000000e-03  5.2520000000e-04 -2.4469000000e-03  1.5636000000e-03  3.0189000000e-03
+
+JOB 78
+COORDS -1.0770710000e+00  1.3774140000e+00 -9.4703300000e-01 -1.2093270000e+00  1.9945620000e+00 -2.2740200000e-01 -1.2063430000e+00  5.1564500000e-01 -5.5096000000e-01  1.0259980000e+00 -1.3591860000e+00  8.7226600000e-01  1.7142350000e+00 -7.6022600000e-01  5.8276600000e-01  1.4899710000e+00 -2.0409690000e+00  1.3582010000e+00
+ENERGY -1.526567182871e+02
+FORCES -1.2954000000e-03 -2.1086000000e-03  4.9739000000e-03  6.6280000000e-04 -2.0437000000e-03 -2.9674000000e-03 -3.3670000000e-04  4.8956000000e-03 -2.5175000000e-03  5.5124000000e-03 -8.3730000000e-04  6.8220000000e-04 -2.8633000000e-03 -2.8604000000e-03  1.8142000000e-03 -1.6797000000e-03  2.9545000000e-03 -1.9854000000e-03
+
+JOB 79
+COORDS -8.0892200000e-01 -1.4734640000e+00 -1.1707300000e+00 -8.5429900000e-01 -7.2699100000e-01 -1.7681830000e+00 -1.4804390000e+00 -2.0767750000e+00 -1.4890280000e+00  8.9327000000e-01  1.4293020000e+00  1.1872540000e+00  9.9797100000e-01  2.3396840000e+00  1.4637930000e+00  9.3963000000e-02  1.1360290000e+00  1.6246680000e+00
+ENERGY -1.526543708808e+02
+FORCES -2.1085000000e-03  9.2120000000e-04 -4.1892000000e-03 -5.5750000000e-04 -3.4964000000e-03  2.2243000000e-03  2.7177000000e-03  2.5285000000e-03  1.4895000000e-03 -2.9959000000e-03  1.5422000000e-03  3.2445000000e-03 -4.5170000000e-04 -3.7041000000e-03 -1.3437000000e-03  3.3959000000e-03  2.2087000000e-03 -1.4254000000e-03
+
+JOB 80
+COORDS  3.8773000000e-02 -1.4777480000e+00  1.5742690000e+00  9.8666400000e-01 -1.4978420000e+00  1.7059170000e+00 -1.5942200000e-01 -5.5827500000e-01  1.3967300000e+00 -6.0693000000e-02  1.4327970000e+00 -1.5069660000e+00  1.2544100000e-01  1.8779090000e+00 -2.3336830000e+00 -6.5905800000e-01  7.2464200000e-01 -1.7450980000e+00
+ENERGY -1.526559797023e+02
+FORCES  3.5669000000e-03  4.4474000000e-03 -2.9120000000e-04 -3.7464000000e-03 -3.4970000000e-04 -2.2110000000e-04  1.2410000000e-04 -4.6785000000e-03  1.1003000000e-03 -1.6122000000e-03 -8.2870000000e-04 -5.2432000000e-03 -8.4120000000e-04 -1.9057000000e-03  3.2714000000e-03  2.5088000000e-03  3.3153000000e-03  1.3838000000e-03
+
+JOB 81
+COORDS  4.3545900000e-01 -1.1571430000e+00  1.7428660000e+00  8.6185000000e-02 -1.1321180000e+00  2.6337160000e+00  5.3224100000e-01 -2.0895250000e+00  1.5491410000e+00 -4.3383900000e-01  1.2494000000e+00 -1.7320450000e+00  2.8924500000e-01  6.2681300000e-01 -1.8079890000e+00 -9.1710000000e-01  1.1572600000e+00 -2.5531420000e+00
+ENERGY -1.526537845958e+02
+FORCES -1.6776000000e-03 -3.2113000000e-03  3.3142000000e-03  1.6143000000e-03 -3.9730000000e-04 -3.5444000000e-03 -2.1900000000e-04  3.8756000000e-03  4.1600000000e-04  1.3815000000e-03 -3.4292000000e-03 -2.6440000000e-03 -2.9410000000e-03  2.7920000000e-03 -8.6340000000e-04  1.8418000000e-03  3.7020000000e-04  3.3216000000e-03
+
+JOB 82
+COORDS  2.9316000000e-02 -1.9131680000e+00 -1.3935240000e+00 -9.1558600000e-01 -1.9863700000e+00 -1.2592350000e+00  3.9050100000e-01 -2.7045150000e+00 -9.9409100000e-01 -1.2567000000e-02  1.9236330000e+00  1.4115840000e+00  5.4016000000e-02  1.7001940000e+00  4.8321200000e-01  1.6877500000e-01  2.8628690000e+00  1.4459750000e+00
+ENERGY -1.526551451549e+02
+FORCES -2.2799000000e-03 -4.1063000000e-03  2.5047000000e-03  3.9205000000e-03  5.2320000000e-04 -7.3450000000e-04 -1.5541000000e-03  3.1122000000e-03 -1.8700000000e-03  1.3660000000e-03  2.4439000000e-03 -4.0377000000e-03 -6.9250000000e-04  1.7444000000e-03  4.2282000000e-03 -7.6000000000e-04 -3.7175000000e-03 -9.0700000000e-05
+
+JOB 83
+COORDS  6.3036200000e-01 -2.3474280000e+00  4.1965700000e-01  6.7408500000e-01 -1.9713650000e+00 -4.5948800000e-01 -1.3987500000e-01 -1.9407390000e+00  8.1661000000e-01 -6.2850100000e-01  2.2502910000e+00 -4.0504100000e-01  3.1938900000e-01  2.1786740000e+00 -2.9275800000e-01 -8.1165100000e-01  3.1848500000e+00 -3.0867600000e-01
+ENERGY -1.526551779470e+02
+FORCES -3.6580000000e-03  3.2717000000e-03 -2.1212000000e-03  3.9950000000e-04 -1.5981000000e-03  3.5876000000e-03  3.4688000000e-03 -2.0422000000e-03 -1.3440000000e-03  3.0192000000e-03  4.2701000000e-03  9.0350000000e-04 -4.0753000000e-03 -6.8400000000e-05 -6.2870000000e-04  8.4580000000e-04 -3.8332000000e-03 -3.9730000000e-04
+
+JOB 84
+COORDS  3.3977200000e-01 -1.4091610000e+00  2.0165070000e+00  1.3571700000e-01 -6.7148200000e-01  2.5913300000e+00  1.2961620000e+00 -1.4299530000e+00  1.9830670000e+00 -3.5300200000e-01  1.3302780000e+00 -2.0002740000e+00 -6.7292000000e-01  2.2226840000e+00 -1.8679990000e+00 -5.1410800000e-01  1.1524610000e+00 -2.9269120000e+00
+ENERGY -1.526535449716e+02
+FORCES  3.0543000000e-03  3.4945000000e-03  1.3026000000e-03  7.8920000000e-04 -3.1066000000e-03 -1.9076000000e-03 -3.7740000000e-03 -1.8260000000e-04  5.1820000000e-04 -2.2390000000e-03  2.5114000000e-03 -3.2395000000e-03  1.4226000000e-03 -3.5726000000e-03 -4.1900000000e-04  7.4690000000e-04  8.5590000000e-04  3.7453000000e-03
+
+JOB 85
+COORDS -6.1570300000e-01  2.8938350000e+00 -1.3306680000e+00 -1.5361000000e-02  2.2056540000e+00 -1.0439120000e+00 -1.1932410000e+00  2.4616380000e+00 -1.9598630000e+00  6.3745500000e-01 -2.7754860000e+00  1.3288070000e+00  1.1225940000e+00 -3.4951760000e+00  1.7324380000e+00 -2.5861300000e-01 -3.1032590000e+00  1.2522690000e+00
+ENERGY -1.526545162193e+02
+FORCES  2.9350000000e-04 -4.7743000000e-03 -1.1948000000e-03 -2.5534000000e-03  3.0540000000e-03 -1.3641000000e-03  2.2161000000e-03  1.8140000000e-03  2.4746000000e-03 -1.5908000000e-03 -4.4403000000e-03  1.6135000000e-03 -2.0256000000e-03  2.9217000000e-03 -1.6909000000e-03  3.6602000000e-03  1.4250000000e-03  1.6160000000e-04
+
+JOB 86
+COORDS  2.3557500000e-01  2.7517560000e+00  1.7321020000e+00  9.0574000000e-01  3.3264410000e+00  2.1020310000e+00 -2.4269900000e-01  3.3064630000e+00  1.1158340000e+00 -2.7317800000e-01 -2.8684970000e+00 -1.7544890000e+00 -7.1377200000e-01 -2.4404710000e+00 -1.0203900000e+00  5.9550200000e-01 -2.4672780000e+00 -1.7799800000e+00
+ENERGY -1.526545737395e+02
+FORCES  7.5450000000e-04  4.8624000000e-03 -8.0830000000e-04 -2.7308000000e-03 -2.3776000000e-03 -1.5680000000e-03  1.9890000000e-03 -2.3879000000e-03  2.4648000000e-03  1.7833000000e-03  3.5315000000e-03  3.1455000000e-03  1.6734000000e-03 -1.8968000000e-03 -3.1461000000e-03 -3.4694000000e-03 -1.7317000000e-03 -8.7800000000e-05
+
+JOB 87
+COORDS  4.2491000000e-01 -3.3893090000e+00 -1.6110100000e-01  9.2447000000e-02 -3.0255550000e+00 -9.8170100000e-01 -3.3172800000e-01 -3.3897600000e+00  4.2518400000e-01 -3.9152700000e-01  3.4319410000e+00  1.8254200000e-01 -5.3492500000e-01  2.8360210000e+00 -5.5267800000e-01  1.8923100000e-01  2.9506170000e+00  7.7184500000e-01
+ENERGY -1.526540824152e+02
+FORCES -4.5214000000e-03  1.0159000000e-03 -9.8550000000e-04  1.4128000000e-03 -1.2187000000e-03  3.4313000000e-03  3.1666000000e-03  1.9260000000e-04 -2.4325000000e-03  2.0098000000e-03 -4.3071000000e-03 -5.5430000000e-04  4.4140000000e-04  2.3429000000e-03  2.9700000000e-03 -2.5091000000e-03  1.9745000000e-03 -2.4290000000e-03
+
+JOB 88
+COORDS  9.7152000000e-01 -2.6768950000e+00  3.0365310000e+00  1.9565500000e-01 -3.2372190000e+00  3.0539140000e+00  1.6106430000e+00 -3.1349680000e+00  3.5823530000e+00 -9.1374300000e-01  2.7829330000e+00 -3.0570910000e+00 -8.0055900000e-01  1.9208840000e+00 -3.4574550000e+00 -1.8437930000e+00  2.8239030000e+00 -2.8344660000e+00
+ENERGY -1.526539991987e+02
+FORCES -4.9270000000e-04 -4.1055000000e-03  2.3560000000e-03  3.1358000000e-03  2.2861000000e-03 -1.2000000000e-04 -2.6305000000e-03  1.8462000000e-03 -2.2389000000e-03 -3.2405000000e-03 -3.4549000000e-03 -5.4220000000e-04 -5.1520000000e-04  3.5548000000e-03  1.5196000000e-03  3.7431000000e-03 -1.2660000000e-04 -9.7440000000e-04
+
+JOB 89
+COORDS  1.4233430000e+00 -4.2223620000e+00  9.4213400000e-01  2.0171280000e+00 -3.6335080000e+00  1.4078610000e+00  1.3691200000e+00 -3.8587880000e+00  5.8332000000e-02 -1.4437460000e+00  4.1765900000e+00 -9.8039100000e-01 -1.8489950000e+00  4.7614180000e+00 -3.4009300000e-01 -1.2448940000e+00  3.3810280000e+00 -4.8666000000e-01
+ENERGY -1.526540661502e+02
+FORCES  2.2844000000e-03  3.7747000000e-03 -1.7704000000e-03 -2.4830000000e-03 -2.3470000000e-03 -1.8785000000e-03  1.8400000000e-04 -1.4292000000e-03  3.6619000000e-03 -9.5170000000e-04 -7.9740000000e-04  4.6420000000e-03  1.6875000000e-03 -2.4004000000e-03 -2.6146000000e-03 -7.2120000000e-04  3.1993000000e-03 -2.0405000000e-03
+
+JOB 0
+COORDS -9.9906800000e-01 -6.9679400000e-01  2.2094300000e-01 -7.9229300000e-01 -1.1453120000e+00  1.0408870000e+00 -1.4129340000e+00 -1.3678130000e+00 -3.2190200000e-01  1.0641330000e+00  7.9665800000e-01 -1.9975300000e-01  1.0965860000e+00  4.4952800000e-01 -1.0912010000e+00  1.8773000000e-01  5.7265600000e-01  1.1325600000e-01
+ENERGY -1.526546819411e+02
+FORCES  1.1716000000e-02  4.3948000000e-03 -3.3101000000e-03 -1.3535000000e-03  2.8567000000e-03 -4.5341000000e-03  2.7602000000e-03  1.9232000000e-03  3.3581000000e-03 -1.7129100000e-02 -1.3692600000e-02 -1.5513000000e-03  1.3739000000e-03  1.2982000000e-03  9.6370000000e-04  2.6325000000e-03  3.2196000000e-03  5.0737000000e-03
+
+JOB 1
+COORDS -1.1123720000e+00  2.6075400000e-01  4.9460000000e-01 -1.1914300000e+00 -5.0032300000e-01  1.0697020000e+00 -1.4116360000e+00  9.9690200000e-01  1.0282290000e+00  1.1917950000e+00 -2.7636400000e-01 -5.2627000000e-01  2.8243400000e-01 -1.9346900000e-01 -2.3917700000e-01  1.1656360000e+00 -8.6513000000e-02 -1.4640890000e+00
+ENERGY -1.526562786387e+02
+FORCES  1.3034400000e-02  1.6760000000e-03 -2.1878000000e-03  2.9815000000e-03  4.6240000000e-03 -4.4542000000e-03 -4.3990000000e-04 -5.0889000000e-03 -1.3443000000e-03 -1.8126000000e-02  6.7929000000e-03  5.8121000000e-03  3.8529000000e-03 -8.2362000000e-03 -6.9520000000e-04 -1.3029000000e-03  2.3230000000e-04  2.8693000000e-03
+
+JOB 2
+COORDS  2.1092100000e-01 -3.0997500000e-01  1.2641100000e+00  9.4643500000e-01 -8.6753800000e-01  1.5178310000e+00  3.7402800000e-01 -1.0139000000e-01  3.4426200000e-01 -1.9023300000e-01  3.3171600000e-01 -1.2389880000e+00 -8.0603800000e-01  1.0244420000e+00 -9.9993300000e-01 -7.2944300000e-01 -4.5638400000e-01 -1.3051920000e+00
+ENERGY -1.526589776910e+02
+FORCES  3.9750000000e-04  5.2346000000e-03 -1.6640900000e-02 -2.1094000000e-03  1.5846000000e-03 -3.9055000000e-03 -1.1610000000e-03 -4.6004000000e-03  1.0020200000e-02 -5.1904000000e-03 -1.7870000000e-03  9.2923000000e-03  3.6838000000e-03 -4.4339000000e-03 -8.0070000000e-04  4.3795000000e-03  4.0021000000e-03  2.0346000000e-03
+
+JOB 3
+COORDS -1.1439570000e+00  1.2494400000e-01 -4.5589800000e-01 -1.4135460000e+00  5.9583300000e-01 -1.2444520000e+00 -1.9654690000e+00 -1.2246000000e-01 -3.1468000000e-02  1.2599580000e+00 -1.6228500000e-01  4.4204100000e-01  3.7556700000e-01 -5.9617000000e-02  9.0553000000e-02  1.2000580000e+00  1.6139900000e-01  1.3408580000e+00
+ENERGY -1.526576341691e+02
+FORCES  1.1819800000e-02 -1.5125000000e-03  4.5786000000e-03 -6.4240000000e-04 -2.8742000000e-03  4.6429000000e-03  3.1431000000e-03  2.6701000000e-03 -3.2793000000e-03 -1.9078500000e-02  3.3244000000e-03 -5.4730000000e-03  5.9890000000e-03 -5.4030000000e-04  1.7178000000e-03 -1.2309000000e-03 -1.0675000000e-03 -2.1871000000e-03
+
+JOB 4
+COORDS  1.2556580000e+00  1.5848500000e-01 -5.3806700000e-01  1.6919160000e+00  2.8626900000e-01  3.0430000000e-01  3.2268800000e-01  1.4032700000e-01 -3.2483400000e-01 -1.1669480000e+00 -1.8461800000e-01  4.3890600000e-01 -2.0751110000e+00 -3.5483200000e-01  1.8890800000e-01 -1.2316590000e+00  3.1317900000e-01  1.2539170000e+00
+ENERGY -1.526574297114e+02
+FORCES -1.5644200000e-02 -3.3868000000e-03  7.4331000000e-03 -2.1892000000e-03  2.2190000000e-04 -1.4908000000e-03  6.9433000000e-03  2.7673000000e-03 -9.8200000000e-04  5.9424000000e-03  1.7049000000e-03 -3.3031000000e-03  4.2040000000e-03  1.3345000000e-03  3.0337000000e-03  7.4370000000e-04 -2.6419000000e-03 -4.6909000000e-03
+
+JOB 5
+COORDS  6.9859000000e-02 -2.6260900000e-01  1.2603060000e+00 -4.9685800000e-01 -8.8260900000e-01  1.7192890000e+00 -2.2509000000e-01  5.9795000000e-01  1.5580900000e+00 -8.0398000000e-02  2.3687800000e-01 -1.3452670000e+00  7.1659500000e-01  7.1543700000e-01 -1.5733310000e+00  4.1945000000e-02 -1.0033000000e-02 -4.2858900000e-01
+ENERGY -1.526597061269e+02
+FORCES -4.2442000000e-03  1.0967000000e-03 -5.6072000000e-03  2.5169000000e-03  4.4009000000e-03 -1.4780000000e-03  1.6143000000e-03 -5.0603000000e-03 -2.8376000000e-03  3.1190000000e-03 -4.9302000000e-03  1.6112300000e-02 -2.2487000000e-03 -9.1510000000e-04  2.5654000000e-03 -7.5730000000e-04  5.4081000000e-03 -8.7549000000e-03
+
+JOB 6
+COORDS  1.3482190000e+00  1.9285900000e-01  2.0623600000e-01  1.7899840000e+00 -5.2538600000e-01 -2.4675300000e-01  4.1686600000e-01  4.1148000000e-02  4.5617000000e-02 -1.2534800000e+00 -1.5286100000e-01 -1.3960500000e-01 -2.0844420000e+00 -5.6627600000e-01  9.4536000000e-02 -1.4806160000e+00  4.6656200000e-01 -8.3311500000e-01
+ENERGY -1.526586147464e+02
+FORCES -1.4468600000e-02 -5.2367000000e-03 -1.1986000000e-03 -2.1310000000e-03  1.6958000000e-03  9.4230000000e-04  6.0925000000e-03  4.3494000000e-03 -3.4373000000e-03  6.2137000000e-03 -4.6700000000e-05  2.8609000000e-03  2.5418000000e-03  3.2561000000e-03 -3.1743000000e-03  1.7516000000e-03 -4.0179000000e-03  4.0071000000e-03
+
+JOB 7
+COORDS  6.9191900000e-01  9.1567900000e-01  7.7052800000e-01  2.9039200000e-01  3.2077000000e-01  1.3721000000e-01  8.6975900000e-01  3.6788200000e-01  1.5350690000e+00 -6.2781200000e-01 -8.1816100000e-01 -7.5364900000e-01 -1.5502410000e+00 -5.6487100000e-01 -7.8827700000e-01 -6.0626500000e-01 -1.6980550000e+00 -1.1298860000e+00
+ENERGY -1.526593053345e+02
+FORCES -6.4395000000e-03 -1.3124900000e-02 -7.4546000000e-03  8.2490000000e-04  6.5108000000e-03  3.4933000000e-03 -3.8390000000e-04  1.1851000000e-03 -1.8748000000e-03  3.5244000000e-03  3.8019000000e-03  4.1111000000e-03  4.9498000000e-03 -2.4211000000e-03 -2.1480000000e-04 -2.4757000000e-03  4.0482000000e-03  1.9398000000e-03
+
+JOB 8
+COORDS -3.9580200000e-01 -2.9575200000e-01 -1.2976710000e+00 -7.9159000000e-02  9.2460000000e-03 -4.4740900000e-01 -4.6676900000e-01 -1.2453860000e+00 -1.2007690000e+00  3.3820400000e-01  3.0667400000e-01  1.2087600000e+00  4.9014900000e-01  1.2118050000e+00  1.4805740000e+00  1.0401230000e+00 -1.9091600000e-01  1.6282190000e+00
+ENERGY -1.526594503262e+02
+FORCES  3.8640000000e-03  1.4742000000e-03  1.6728500000e-02 -1.9404000000e-03 -6.5800000000e-04 -8.6002000000e-03  9.2100000000e-04  2.2047000000e-03  1.2920000000e-04  7.8820000000e-04 -7.9310000000e-04 -5.1554000000e-03  1.0180000000e-04 -5.3036000000e-03 -1.3489000000e-03 -3.7346000000e-03  3.0757000000e-03 -1.7532000000e-03
+
+JOB 9
+COORDS -9.5027500000e-01  4.4972000000e-01 -8.8830000000e-01 -1.8293200000e-01  1.1499500000e-01 -4.2421300000e-01 -5.8938500000e-01  1.0040930000e+00 -1.5801540000e+00  8.3044000000e-01 -4.8886300000e-01  8.6297600000e-01  1.7182000000e+00 -3.1018400000e-01  5.5283400000e-01  8.4824300000e-01 -2.5300900000e-01  1.7904930000e+00
+ENERGY -1.526578612741e+02
+FORCES  9.9094000000e-03 -4.8695000000e-03  1.0063300000e-02 -2.3711000000e-03  3.4741000000e-03 -9.4126000000e-03  1.2385000000e-03 -2.3246000000e-03  3.3892000000e-03 -4.7099000000e-03  4.7761000000e-03  3.7370000000e-04 -6.3282000000e-03  7.8890000000e-04  8.0000000000e-07  2.2613000000e-03 -1.8451000000e-03 -4.4144000000e-03
+
+JOB 10
+COORDS  5.5262000000e-01 -8.1684100000e-01 -8.6128700000e-01  1.4297010000e+00 -1.1647230000e+00 -1.0223400000e+00  4.9302000000e-02 -1.5693710000e+00 -5.5047700000e-01 -5.5211400000e-01  8.8693800000e-01  9.1753900000e-01 -1.3550600000e+00  1.2463880000e+00  5.4030400000e-01 -1.3500000000e-01  4.1986100000e-01  1.9360100000e-01
+ENERGY -1.526604306629e+02
+FORCES  4.3070000000e-04  6.2740000000e-04  5.2827000000e-03 -4.9307000000e-03 -1.9230000000e-04  6.9910000000e-04  2.8689000000e-03  4.6846000000e-03 -1.6855000000e-03  6.1408000000e-03 -6.1107000000e-03 -1.0703300000e-02  2.5559000000e-03 -2.4689000000e-03  1.1750000000e-04 -7.0656000000e-03  3.4599000000e-03  6.2895000000e-03
+
+JOB 11
+COORDS -3.3550900000e-01 -7.1770500000e-01 -1.0683610000e+00  7.3120000000e-03 -1.5605720000e+00 -7.7124200000e-01  2.6270600000e-01 -4.4742700000e-01 -1.7650100000e+00  3.1511300000e-01  7.2854600000e-01  1.1430050000e+00  1.6775700000e-01  2.9186200000e-01  3.0406300000e-01 -1.6331900000e-01  1.5544660000e+00  1.0709500000e+00
+ENERGY -1.526598660191e+02
+FORCES  2.5797000000e-03 -1.8275000000e-03  1.7560000000e-03 -8.1210000000e-04  6.3258000000e-03 -1.2560000000e-03 -2.6148000000e-03 -3.1130000000e-04  5.9055000000e-03 -6.7633000000e-03 -6.2661000000e-03 -1.3338700000e-02  6.1408000000e-03  4.4448000000e-03  7.7916000000e-03  1.4697000000e-03 -2.3657000000e-03 -8.5840000000e-04
+
+JOB 12
+COORDS -9.6052800000e-01 -8.4039800000e-01  1.4553600000e-01 -1.2900540000e+00 -1.4677340000e+00 -4.9796500000e-01 -1.4284020000e+00 -1.0559940000e+00  9.5228500000e-01  9.9542600000e-01  9.5621700000e-01 -1.3450500000e-01  4.7259400000e-01  1.6307000000e-01 -1.7047000000e-02  1.7543940000e+00  6.7025800000e-01 -6.4286200000e-01
+ENERGY -1.526593920604e+02
+FORCES  2.7572000000e-03  3.5581000000e-03 -2.8690000000e-04  1.1573000000e-03  2.4121000000e-03  4.0642000000e-03  1.3584000000e-03 -6.3500000000e-05 -4.9300000000e-03 -9.3382000000e-03 -1.0146900000e-02  1.0268000000e-03  7.5590000000e-03  4.9821000000e-03 -9.1540000000e-04 -3.4937000000e-03 -7.4180000000e-04  1.0413000000e-03
+
+JOB 13
+COORDS  1.0575300000e+00 -8.1657100000e-01 -3.6979600000e-01  3.0715300000e-01 -3.8619200000e-01  4.0009000000e-02  1.0961990000e+00 -1.6781960000e+00  4.5342000000e-02 -9.6977400000e-01  8.8713900000e-01  3.1055500000e-01 -1.6977200000e+00  6.2523800000e-01 -2.5312400000e-01 -1.0606060000e+00  3.3906500000e-01  1.0900390000e+00
+ENERGY -1.526545464833e+02
+FORCES -8.6631000000e-03  8.2988000000e-03  2.5362000000e-03  3.0805000000e-03 -9.6144000000e-03  3.9235000000e-03 -2.7918000000e-03  4.4381000000e-03 -1.0390000000e-04 -2.2720000000e-03 -2.2709000000e-03 -1.9416000000e-03  4.5858000000e-03  4.9760000000e-04  3.7690000000e-03  6.0606000000e-03 -1.3492000000e-03 -8.1832000000e-03
+
+JOB 14
+COORDS  1.0183310000e+00  4.1145400000e-01  7.3586800000e-01  1.7941900000e+00  5.0352900000e-01  1.8288000000e-01  1.2834530000e+00 -2.0206300000e-01  1.4210970000e+00 -1.0813720000e+00 -4.4802900000e-01 -7.6152200000e-01 -4.1306000000e-01 -1.6330000000e-02 -2.2933200000e-01 -1.7138610000e+00  2.4270300000e-01 -9.5920500000e-01
+ENERGY -1.526614090960e+02
+FORCES -5.1980000000e-04 -4.8320000000e-03 -2.1628000000e-03 -3.9694000000e-03 -8.6700000000e-04  3.2545000000e-03 -5.3600000000e-05  3.4203000000e-03 -3.8263000000e-03  9.6325000000e-03  5.9532000000e-03  8.2972000000e-03 -8.2050000000e-03 -2.6128000000e-03 -6.8513000000e-03  3.1153000000e-03 -1.0617000000e-03  1.2887000000e-03
+
+JOB 15
+COORDS -4.3644500000e-01 -7.2377000000e-02 -1.3276650000e+00 -3.9529200000e-01  7.6549800000e-01 -1.7886470000e+00 -2.6334600000e-01  1.4845400000e-01 -4.1251400000e-01  4.3315100000e-01 -1.4003000000e-02  1.2388050000e+00 -2.4190500000e-01 -2.0955100000e-01  1.8886450000e+00  9.6647200000e-01  6.6926900000e-01  1.6449330000e+00
+ENERGY -1.526595002513e+02
+FORCES  5.1816000000e-03  1.9751000000e-03  1.2514000000e-02  7.0080000000e-04 -1.9432000000e-03  2.9240000000e-03 -5.5415000000e-03  6.9630000000e-04 -8.8864000000e-03 -3.8640000000e-04  5.1210000000e-04 -7.9080000000e-04  3.5833000000e-03  2.0852000000e-03 -3.9817000000e-03 -3.5378000000e-03 -3.3255000000e-03 -1.7792000000e-03
+
+JOB 16
+COORDS  1.9858400000e-01 -3.8955500000e-01 -1.2345530000e+00  1.8363300000e-01 -1.3412690000e+00 -1.1333180000e+00  6.8919300000e-01 -2.4189600000e-01 -2.0430900000e+00 -2.3162000000e-01  3.7436100000e-01  1.3163970000e+00 -2.5654300000e-01  1.2799890000e+00  1.6253460000e+00 -1.3709700000e-01  4.4730100000e-01  3.6667200000e-01
+ENERGY -1.526604251036e+02
+FORCES  1.1579000000e-03 -2.0793000000e-03  4.2998000000e-03  6.8440000000e-04  4.6161000000e-03 -2.5823000000e-03 -2.0793000000e-03 -1.8358000000e-03  3.4486000000e-03  2.0239000000e-03 -8.3430000000e-04 -1.1116100000e-02  6.4460000000e-04 -2.3838000000e-03 -2.9029000000e-03 -2.4315000000e-03  2.5171000000e-03  8.8529000000e-03
+
+JOB 17
+COORDS  5.4844100000e-01 -1.1640440000e+00  2.4760000000e-01  1.4300370000e+00 -1.2247870000e+00  6.1547500000e-01  4.9209400000e-01 -1.8989200000e+00 -3.6314800000e-01 -5.6739700000e-01  1.2500370000e+00 -2.7980800000e-01 -3.2062300000e-01  3.8016000000e-01  3.4276000000e-02 -1.3513580000e+00  1.4729500000e+00  2.2213500000e-01
+ENERGY -1.526609815553e+02
+FORCES  8.3110000000e-04  3.8042000000e-03 -3.0585000000e-03 -4.1063000000e-03 -1.3500000000e-03 -2.3007000000e-03  1.5213000000e-03  2.8039000000e-03  3.6492000000e-03  4.2424000000e-03 -1.1537200000e-02  3.4257000000e-03 -5.1814000000e-03  8.6099000000e-03 -8.1690000000e-04  2.6930000000e-03 -2.3308000000e-03 -8.9880000000e-04
+
+JOB 18
+COORDS -5.1694500000e-01 -5.4155100000e-01  1.2066170000e+00 -8.3805500000e-01 -1.3876080000e+00  8.9467600000e-01 -3.8070100000e-01 -2.8152000000e-02  4.1031800000e-01  5.1376200000e-01  5.3098500000e-01 -1.0725720000e+00  2.3300900000e-01  2.5855200000e-01 -1.9461800000e+00  1.0419930000e+00  1.3147780000e+00 -1.2238050000e+00
+ENERGY -1.526589468055e+02
+FORCES  5.2616000000e-03  3.4560000000e-03 -1.2545800000e-02  7.6170000000e-04  2.5164000000e-03  7.8300000000e-05 -4.8151000000e-03 -2.9511000000e-03  6.4243000000e-03 -9.6900000000e-05 -2.4270000000e-04  2.3448000000e-03  1.5686000000e-03  1.4187000000e-03  4.5115000000e-03 -2.6799000000e-03 -4.1973000000e-03 -8.1310000000e-04
+
+JOB 19
+COORDS -1.3804670000e+00  2.9489100000e-01 -2.8338000000e-01 -5.6893200000e-01 -2.0151600000e-01 -1.7744100000e-01 -1.1502510000e+00  1.1883810000e+00 -2.8607000000e-02  1.2923550000e+00 -2.6448400000e-01  2.2251200000e-01  1.7378890000e+00 -1.6673400000e-01  1.0640440000e+00  1.2865550000e+00 -1.2081500000e+00  6.2223000000e-02
+ENERGY -1.526572172501e+02
+FORCES  1.5155700000e-02  2.0165000000e-03  3.7173000000e-03 -5.6748000000e-03 -5.5857000000e-03 -2.9825000000e-03 -2.7599000000e-03 -1.2203000000e-03 -3.8150000000e-04 -1.1059000000e-03 -6.6170000000e-04  3.2496000000e-03 -1.6937000000e-03 -6.8570000000e-04 -4.5880000000e-03 -3.9215000000e-03  6.1369000000e-03  9.8510000000e-04
+
+JOB 20
+COORDS -1.8516400000e-01  1.8646800000e-01 -1.3084710000e+00 -1.5444000000e-01 -5.5596000000e-01 -1.9118690000e+00  4.9744200000e-01  7.7943000000e-01 -1.6225990000e+00  1.1984100000e-01 -1.3233800000e-01  1.4060080000e+00  7.7059900000e-01 -8.0814400000e-01  1.5958260000e+00 -9.3754000000e-02 -2.5779800000e-01  4.8141700000e-01
+ENERGY -1.526599311158e+02
+FORCES  4.0448000000e-03  2.1605000000e-03  8.2840000000e-04  9.3430000000e-04  3.3493000000e-03  4.2847000000e-03 -3.4526000000e-03 -4.0043000000e-03 -6.2400000000e-05 -6.4810000000e-04 -2.3460000000e-04 -1.2955400000e-02 -1.8441000000e-03  1.9535000000e-03 -1.9990000000e-03  9.6560000000e-04 -3.2243000000e-03  9.9037000000e-03
+
+JOB 21
+COORDS  1.2077210000e+00  2.5213800000e-01 -6.6284500000e-01  2.0366310000e+00 -1.3071500000e-01 -3.7550500000e-01  5.5449700000e-01 -1.1523500000e-01 -6.7390000000e-02 -1.2410520000e+00 -1.8671200000e-01  5.5394700000e-01 -1.0447140000e+00 -1.0947970000e+00  7.8430400000e-01 -1.0460000000e+00  3.1000800000e-01  1.3485880000e+00
+ENERGY -1.526554599928e+02
+FORCES -9.4630000000e-03 -1.9698000000e-03  4.2185000000e-03 -5.0612000000e-03  4.1750000000e-04  7.3860000000e-04  1.0061300000e-02 -2.0640000000e-03  5.2280000000e-04 -1.0293000000e-03  6.5560000000e-04  2.7224000000e-03  3.9775000000e-03  6.7298000000e-03 -2.8413000000e-03  1.5146000000e-03 -3.7691000000e-03 -5.3610000000e-03
+
+JOB 22
+COORDS  1.1285250000e+00  2.2691800000e-01 -8.4090300000e-01  4.0035500000e-01 -6.4028000000e-02 -2.9194900000e-01  1.7502360000e+00  6.1827100000e-01 -2.2726700000e-01 -1.0539060000e+00 -2.5237600000e-01  7.9007400000e-01 -1.3818110000e+00  6.3537900000e-01  6.4653700000e-01 -1.8116090000e+00 -8.1617900000e-01  6.3437100000e-01
+ENERGY -1.526609365489e+02
+FORCES -8.0397000000e-03 -4.0995000000e-03  9.7001000000e-03  6.6604000000e-03  5.2427000000e-03 -6.0816000000e-03 -2.7070000000e-03 -5.6670000000e-04 -1.4113000000e-03 -1.9600000000e-03  9.0180000000e-04 -2.9878000000e-03  2.9322000000e-03 -5.3882000000e-03 -5.5400000000e-05  3.1141000000e-03  3.9099000000e-03  8.3600000000e-04
+
+JOB 23
+COORDS -3.1327700000e-01 -8.1909900000e-01  1.1225500000e+00 -1.9984900000e-01 -2.5291300000e-01  3.5913700000e-01 -1.0608600000e-01 -2.5834900000e-01  1.8701220000e+00  2.4459500000e-01  7.8966300000e-01 -1.0855180000e+00  1.8652200000e-01  5.4465800000e-01 -2.0090070000e+00  1.0772270000e+00  4.2044800000e-01 -7.9117600000e-01
+ENERGY -1.526583160930e+02
+FORCES -1.6629000000e-03  8.9161000000e-03 -7.4404000000e-03  7.0463000000e-03 -5.3452000000e-03  6.6710000000e-03  4.8110000000e-04 -1.3542000000e-03 -3.4116000000e-03  1.4693000000e-03 -3.5240000000e-03 -2.6566000000e-03  1.5109000000e-03  1.4001000000e-03  4.6523000000e-03 -8.8446000000e-03 -9.2800000000e-05  2.1853000000e-03
+
+JOB 24
+COORDS  7.1513800000e-01 -4.1650900000e-01 -1.0526060000e+00  6.0671700000e-01 -1.3652200000e+00 -1.1191210000e+00  1.5802790000e+00 -2.4709900000e-01 -1.4255200000e+00 -7.8680100000e-01  4.0645800000e-01  1.1052430000e+00 -8.6143600000e-01  1.3085130000e+00  1.4166250000e+00 -2.4654200000e-01  4.6841700000e-01  3.1751700000e-01
+ENERGY -1.526606500212e+02
+FORCES -1.7870000000e-04 -3.4538000000e-03  2.7776000000e-03  2.1412000000e-03  4.4250000000e-03 -1.2180000000e-03 -3.8725000000e-03 -1.4062000000e-03  1.5903000000e-03  5.9130000000e-03 -9.8920000000e-04 -8.1732000000e-03  1.6421000000e-03 -2.5964000000e-03 -2.3213000000e-03 -5.6452000000e-03  4.0205000000e-03  7.3446000000e-03
+
+JOB 25
+COORDS  4.2089100000e-01  1.2310670000e+00  2.7610600000e-01  1.2526090000e+00  1.2884120000e+00  7.4641300000e-01  1.9345500000e-01  2.1397400000e+00  7.9083000000e-02 -4.4593900000e-01 -1.3002740000e+00 -3.5705200000e-01 -7.1298600000e-01 -1.9326120000e+00  3.1008000000e-01 -4.3246800000e-01 -4.5973500000e-01  1.0070800000e-01
+ENERGY -1.526597367488e+02
+FORCES  1.9127000000e-03 -6.2760000000e-04 -1.2706000000e-03 -4.2785000000e-03  9.8590000000e-04 -1.7771000000e-03  2.2325000000e-03 -3.8532000000e-03  1.3326000000e-03  1.7787000000e-03  9.1018000000e-03  3.4228000000e-03  1.6445000000e-03  3.3839000000e-03 -1.2361000000e-03 -3.2900000000e-03 -8.9907000000e-03 -4.7170000000e-04
+
+JOB 26
+COORDS -9.3566800000e-01 -6.8270600000e-01  7.3690100000e-01 -1.8404560000e+00 -3.7152600000e-01  7.6443600000e-01 -9.5288200000e-01 -1.4166120000e+00  1.2263900000e-01  1.0463490000e+00  7.2409400000e-01 -6.7606100000e-01  8.1249200000e-01  6.7949200000e-01 -1.6031820000e+00  2.4654400000e-01  4.7222600000e-01 -2.1442700000e-01
+ENERGY -1.526595437371e+02
+FORCES -1.5449000000e-03 -3.6336000000e-03 -1.4637000000e-03  5.4308000000e-03 -1.0595000000e-03 -1.6276000000e-03 -4.4670000000e-04  5.4391000000e-03  2.1435000000e-03 -9.3518000000e-03 -4.7065000000e-03  4.9395000000e-03 -2.9050000000e-04 -1.0417000000e-03  3.3741000000e-03  6.2031000000e-03  5.0023000000e-03 -7.3657000000e-03
+
+JOB 27
+COORDS  2.2013000000e-01  3.5695900000e-01  1.3770190000e+00 -1.2508600000e-01 -9.9282000000e-02  6.0962000000e-01  2.3372400000e-01 -3.0788500000e-01  2.0655160000e+00 -1.3526400000e-01 -2.9204800000e-01 -1.3685260000e+00 -6.8431500000e-01  4.9050700000e-01 -1.4173260000e+00 -7.5582200000e-01 -1.0208380000e+00 -1.3661620000e+00
+ENERGY -1.526574016581e+02
+FORCES  5.8310000000e-04 -4.9767000000e-03 -8.4239000000e-03 -3.9371000000e-03  2.2796000000e-03  9.2154000000e-03 -5.3400000000e-04  1.2933000000e-03 -3.7903000000e-03 -2.6240000000e-03  2.5589000000e-03 -3.5042000000e-03  2.7612000000e-03 -5.5249000000e-03  2.6052000000e-03  3.7508000000e-03  4.3698000000e-03  3.8978000000e-03
+
+JOB 28
+COORDS -4.2305300000e-01 -8.8749100000e-01  9.7145100000e-01 -3.3359900000e-01 -4.5060200000e-01  1.8184210000e+00  1.8185600000e-01 -1.6278470000e+00  1.0182360000e+00  4.1168400000e-01  8.7677100000e-01 -1.0743270000e+00  2.5151700000e-01  1.8070220000e+00 -9.1554900000e-01  8.4233000000e-02  4.3931200000e-01 -2.8842800000e-01
+ENERGY -1.526605324515e+02
+FORCES  3.5778000000e-03 -3.0708000000e-03  1.5356000000e-03  3.2920000000e-04 -7.6570000000e-04 -5.7342000000e-03 -3.3131000000e-03  3.9922000000e-03  9.3200000000e-04 -4.7359000000e-03 -5.6013000000e-03  8.0321000000e-03  7.5200000000e-05 -3.5512000000e-03  1.2509000000e-03  4.0668000000e-03  8.9968000000e-03 -6.0164000000e-03
+
+JOB 29
+COORDS -9.8886500000e-01 -6.3421500000e-01  7.5040300000e-01 -1.5902040000e+00 -9.5552600000e-01  7.8554000000e-02 -1.4618190000e+00  8.2879000000e-02  1.1726860000e+00  1.0698150000e+00  6.7895600000e-01 -7.2271200000e-01  4.8702300000e-01  1.2809600000e-01 -2.0008700000e-01  1.2962820000e+00  1.3838000000e-01 -1.4794960000e+00
+ENERGY -1.526611650392e+02
+FORCES -4.5266000000e-03  3.1473000000e-03 -1.0498000000e-03  3.8088000000e-03  2.0142000000e-03  2.8674000000e-03  2.1794000000e-03 -4.0309000000e-03 -2.6705000000e-03 -6.8042000000e-03 -7.5840000000e-03  5.0772000000e-03  7.2395000000e-03  5.4008000000e-03 -6.6652000000e-03 -1.8968000000e-03  1.0526000000e-03  2.4409000000e-03
+
+JOB 30
+COORDS -5.9888800000e-01  2.7342200000e-01 -1.2325970000e+00 -8.3005400000e-01  1.1978190000e+00 -1.3236130000e+00 -1.4161220000e+00 -1.5426000000e-01 -9.7676800000e-01  7.3181400000e-01 -3.0732800000e-01  1.2437710000e+00  3.8295300000e-01 -8.7501000000e-02  3.7994000000e-01 -4.3241000000e-02 -4.7205400000e-01  1.7807870000e+00
+ENERGY -1.526599223548e+02
+FORCES -4.1512000000e-03  2.2969000000e-03 -4.0160000000e-04  6.8660000000e-04 -5.2546000000e-03  1.1488000000e-03  5.2754000000e-03  2.6890000000e-03  9.6590000000e-04 -6.4028000000e-03  2.2395000000e-03 -9.3876000000e-03  3.0256000000e-03 -2.4972000000e-03  1.0119600000e-02  1.5665000000e-03  5.2650000000e-04 -2.4451000000e-03
+
+JOB 31
+COORDS  1.2315780000e+00 -6.0360200000e-01  2.5051400000e-01  2.1420560000e+00 -3.3994500000e-01  1.1729600000e-01  9.8910300000e-01 -1.0480010000e+00 -5.6185700000e-01 -1.3002560000e+00  5.8457600000e-01 -2.4672500000e-01 -1.5892110000e+00  1.3763380000e+00  2.0698100000e-01 -5.0053600000e-01  3.2435500000e-01  2.1040100000e-01
+ENERGY -1.526611763788e+02
+FORCES  2.2104000000e-03  2.8000000000e-04 -4.9211000000e-03 -3.7911000000e-03 -2.0407000000e-03 -5.4000000000e-05  1.0868000000e-03  3.2724000000e-03  5.0013000000e-03  7.7362000000e-03 -5.2450000000e-04  4.7764000000e-03  1.9291000000e-03 -2.4165000000e-03 -1.0072000000e-03 -9.1715000000e-03  1.4293000000e-03 -3.7955000000e-03
+
+JOB 32
+COORDS -8.9541900000e-01 -1.1500250000e+00 -2.6510000000e-02 -4.0362500000e-01 -3.3236000000e-01  4.9620000000e-02 -1.7530170000e+00 -8.8425600000e-01 -3.5836000000e-01  8.5490500000e-01  1.0965720000e+00  5.3121000000e-02  1.2970950000e+00  1.2933400000e+00 -7.7270100000e-01  1.5521730000e+00  7.8582100000e-01  6.3060100000e-01
+ENERGY -1.526618779585e+02
+FORCES  4.1621000000e-03  1.0526700000e-02 -4.4340000000e-04 -5.9024000000e-03 -9.2727000000e-03  1.0256000000e-03  2.9831000000e-03 -1.3830000000e-04  5.4200000000e-04  4.2970000000e-03 -1.5428000000e-03 -1.9789000000e-03 -1.6069000000e-03 -6.9780000000e-04  4.5063000000e-03 -3.9329000000e-03  1.1249000000e-03 -3.6516000000e-03
+
+JOB 33
+COORDS  1.4028190000e+00 -4.0419900000e-01 -1.7888400000e-01  1.3004320000e+00 -1.3491710000e+00 -6.5847000000e-02  5.3576100000e-01 -4.4715000000e-02  8.7640000000e-03 -1.3344620000e+00  4.0653000000e-01  2.2971200000e-01 -1.1606300000e+00  1.3010920000e+00 -6.3159000000e-02 -1.7297780000e+00 -2.1987000000e-02 -5.2945200000e-01
+ENERGY -1.526600720586e+02
+FORCES -1.1713800000e-02 -4.4670000000e-04  4.2677000000e-03  2.3590000000e-04  2.5914000000e-03 -1.0577000000e-03  9.4635000000e-03  6.8020000000e-04 -4.2037000000e-03 -2.9795000000e-03  1.7520000000e-03 -4.3716000000e-03  1.7309000000e-03 -6.5441000000e-03  1.2810000000e-03  3.2629000000e-03  1.9673000000e-03  4.0843000000e-03
+
+JOB 34
+COORDS -1.3434080000e+00 -5.4235700000e-01 -3.0920900000e-01 -4.3034000000e-01 -3.2857300000e-01 -1.1728500000e-01 -1.8238500000e+00  2.6305800000e-01 -1.1759600000e-01  1.2688970000e+00  4.4577600000e-01  3.1767500000e-01  1.8481480000e+00  9.2169000000e-02 -3.5735300000e-01  1.5405620000e+00  1.3586630000e+00  4.1289300000e-01
+ENERGY -1.526604075364e+02
+FORCES  9.0389000000e-03  7.2794000000e-03  4.3060000000e-03 -6.4721000000e-03 -5.6702000000e-03 -4.0869000000e-03  7.7110000000e-04 -2.1289000000e-03 -7.2120000000e-04  1.1437000000e-03  3.0779000000e-03 -1.8979000000e-03 -4.1503000000e-03  1.9379000000e-03  3.2679000000e-03 -3.3120000000e-04 -4.4960000000e-03 -8.6790000000e-04
+
+JOB 35
+COORDS -9.4920200000e-01 -8.2288100000e-01 -6.7148600000e-01 -8.0586600000e-01 -4.3134200000e-01 -1.5331030000e+00 -3.6624400000e-01 -1.5818560000e+00 -6.5279200000e-01  9.4592100000e-01  8.2149700000e-01  7.7473800000e-01  1.4625300000e-01  4.2628200000e-01  4.2750900000e-01  1.0917330000e+00  1.5910870000e+00  2.2455600000e-01
+ENERGY -1.526602759886e+02
+FORCES  4.0594000000e-03 -3.4847000000e-03 -4.0720000000e-03  2.0710000000e-04 -6.2140000000e-04  5.3223000000e-03 -3.1617000000e-03  4.5113000000e-03 -2.6580000000e-04 -8.3146000000e-03 -3.0039000000e-03 -5.5030000000e-03  8.1282000000e-03  5.7201000000e-03  3.7598000000e-03 -9.1840000000e-04 -3.1214000000e-03  7.5860000000e-04
+
+JOB 36
+COORDS -3.3085300000e-01 -1.2462310000e+00  7.2048500000e-01  1.6270000000e-02 -4.3524300000e-01  3.4895200000e-01 -9.1335100000e-01 -1.5903690000e+00  4.3362000000e-02  3.8154100000e-01  1.1841870000e+00 -6.2567100000e-01  3.5194000000e-02  9.9990700000e-01 -1.4987780000e+00  6.7412000000e-02  2.0655960000e+00 -4.2399200000e-01
+ENERGY -1.526601541062e+02
+FORCES  1.6011000000e-03  9.2917000000e-03 -6.2114000000e-03 -2.4998000000e-03 -9.3649000000e-03  3.0041000000e-03  1.8264000000e-03  1.4542000000e-03  1.3077000000e-03 -3.1144000000e-03  2.6993000000e-03 -9.8080000000e-04  7.6540000000e-04 -8.9000000000e-06  5.2576000000e-03  1.4212000000e-03 -4.0714000000e-03 -2.3771000000e-03
+
+JOB 37
+COORDS  4.0147000000e-02 -1.2387570000e+00 -6.7068800000e-01 -6.8301100000e-01 -1.8652130000e+00 -6.4194100000e-01 -6.0655000000e-02 -7.9432900000e-01 -1.5124450000e+00 -2.8170000000e-02  1.3061520000e+00  6.9958300000e-01  7.7894500000e-01  1.2222450000e+00  1.2072800000e+00 -2.5567500000e-01  4.0769700000e-01  4.6030800000e-01
+ENERGY -1.526609218759e+02
+FORCES -9.6470000000e-04 -6.4630000000e-04 -5.2547000000e-03  3.1323000000e-03  4.3527000000e-03  2.8060000000e-04 -4.9140000000e-04 -2.5883000000e-03  5.1475000000e-03  3.0872000000e-03 -1.0698400000e-02 -1.8388000000e-03 -2.4327000000e-03  8.1380000000e-04 -1.3353000000e-03 -2.3308000000e-03  8.7665000000e-03  3.0008000000e-03
+
+JOB 38
+COORDS -4.3855200000e-01  7.8665100000e-01  1.1730340000e+00 -2.6074700000e-01  2.0141400000e-01  4.3674900000e-01 -9.8259000000e-01  1.4811400000e+00  8.0163200000e-01  4.2122300000e-01 -7.7433300000e-01 -1.0494070000e+00  1.0093030000e+00 -2.4911100000e-01 -1.5921190000e+00  4.4219600000e-01 -1.6451730000e+00 -1.4461820000e+00
+ENERGY -1.526612274796e+02
+FORCES  6.3080000000e-04 -5.0577000000e-03 -8.5634000000e-03 -2.2941000000e-03  6.6700000000e-03  6.5446000000e-03  2.1670000000e-03 -2.0400000000e-03  4.7620000000e-04  1.7130000000e-03 -1.0202000000e-03 -7.4770000000e-04 -3.3087000000e-03 -3.0848000000e-03  1.9156000000e-03  1.0919000000e-03  4.5328000000e-03  3.7470000000e-04
+
+JOB 39
+COORDS  1.4108010000e+00 -4.3482900000e-01  8.1285000000e-02  1.3159670000e+00 -1.2502540000e+00  5.7354600000e-01  5.7757300000e-01 -3.3404100000e-01 -3.7893700000e-01 -1.3215420000e+00  4.8051100000e-01 -2.0184000000e-02 -1.5846940000e+00 -3.3057700000e-01 -4.5506300000e-01 -1.6511210000e+00  1.1758830000e+00 -5.8945200000e-01
+ENERGY -1.526546053747e+02
+FORCES -9.8632000000e-03  2.1117000000e-03  2.0939000000e-03 -2.0220000000e-04  2.5225000000e-03 -2.2480000000e-03  4.8103000000e-03 -5.8603000000e-03 -2.7237000000e-03 -3.0908000000e-03  1.7045000000e-03 -1.6176000000e-03  6.3606000000e-03  3.5165000000e-03  1.8304000000e-03  1.9854000000e-03 -3.9949000000e-03  2.6650000000e-03
+
+JOB 40
+COORDS -5.4300800000e-01 -1.0063740000e+00  7.7225700000e-01 -6.6714500000e-01 -1.6572920000e+00  8.1513000000e-02 -9.1260100000e-01 -1.4140950000e+00  1.5554540000e+00  5.5812800000e-01  1.1319120000e+00 -7.6335400000e-01  1.3204690000e+00  7.8357400000e-01 -1.2256620000e+00  3.1570000000e-02  3.6057500000e-01 -5.5357200000e-01
+ENERGY -1.526562219380e+02
+FORCES -1.4408000000e-03 -1.4135000000e-03  3.2339000000e-03  1.7487000000e-03  6.1560000000e-03  1.7059000000e-03  1.9142000000e-03  4.0800000000e-04 -4.0622000000e-03 -1.1580000000e-03 -7.1986000000e-03  5.4015000000e-03 -3.0184000000e-03  4.1710000000e-04  1.4583000000e-03  1.9544000000e-03  1.6309000000e-03 -7.7375000000e-03
+
+JOB 41
+COORDS  7.8538100000e-01 -8.4927400000e-01  8.3589000000e-01  8.5211700000e-01 -5.7688500000e-01  1.7510850000e+00 -2.6388000000e-02 -1.3547970000e+00  7.9454000000e-01 -8.1298500000e-01  8.7079300000e-01 -8.6665900000e-01 -3.3729200000e-01  1.2714630000e+00 -1.5942650000e+00 -1.5819400000e-01  3.3669900000e-01 -4.1696500000e-01
+ENERGY -1.526611645027e+02
+FORCES -2.3996000000e-03 -1.0966000000e-03  5.5864000000e-03 -5.5230000000e-04 -2.1098000000e-03 -4.3164000000e-03  4.1559000000e-03  5.5004000000e-03 -1.4032000000e-03  8.4851000000e-03 -3.2622000000e-03  3.2175000000e-03 -9.5390000000e-04 -1.4751000000e-03  2.6856000000e-03 -8.7352000000e-03  2.4434000000e-03 -5.7700000000e-03
+
+JOB 42
+COORDS  5.9242500000e-01  1.3308850000e+00  4.8083000000e-02  1.0272000000e-01  5.9417700000e-01 -3.1754200000e-01  9.1195100000e-01  1.8098180000e+00 -7.1661200000e-01 -5.4681800000e-01 -1.2788850000e+00  5.8809000000e-02 -2.5931100000e-01 -1.8649370000e+00 -6.4127300000e-01 -1.5020300000e+00 -1.3389620000e+00  4.4945000000e-02
+ENERGY -1.526589262973e+02
+FORCES -3.3619000000e-03 -7.7546000000e-03 -1.5654000000e-03  3.2588000000e-03  9.8910000000e-03 -2.4858000000e-03 -1.5734000000e-03 -3.2864000000e-03  1.9972000000e-03 -1.9326000000e-03 -4.1851000000e-03  9.4200000000e-05 -1.6817000000e-03  4.3754000000e-03  2.8081000000e-03  5.2908000000e-03  9.5970000000e-04 -8.4830000000e-04
+
+JOB 43
+COORDS -2.5987500000e-01 -3.7990400000e-01 -1.4332030000e+00  5.6423200000e-01 -3.7740100000e-01 -9.4630100000e-01 -8.2238000000e-01  2.3014100000e-01 -9.5606200000e-01  3.0969000000e-01  3.6302000000e-01  1.4047100000e+00 -2.3200300000e-01  8.6737500000e-01  7.9772900000e-01 -2.2624100000e-01 -3.9757100000e-01  1.6294580000e+00
+ENERGY -1.526519722585e+02
+FORCES  3.7107000000e-03  2.4388000000e-03  7.3299000000e-03 -4.0908000000e-03 -2.2070000000e-04 -4.3503000000e-03  1.9940000000e-03 -1.3590000000e-04  2.4752000000e-03 -5.8805000000e-03 -2.2522000000e-03 -1.4069000000e-03  1.4847000000e-03 -3.8177000000e-03 -2.6843000000e-03  2.7818000000e-03  3.9877000000e-03 -1.3635000000e-03
+
+JOB 44
+COORDS -8.2503600000e-01 -9.7970700000e-01  6.1900900000e-01 -4.7917200000e-01 -1.2475970000e+00  1.4703880000e+00 -1.5267310000e+00 -3.6320000000e-01  8.2823700000e-01  8.4252600000e-01  1.0010700000e+00 -7.3924300000e-01  2.7240400000e-01  2.6773800000e-01 -5.0812300000e-01  1.4782310000e+00  1.0452050000e+00 -2.4986000000e-02
+ENERGY -1.526603073160e+02
+FORCES -1.2553000000e-03  1.2061000000e-03  5.1770000000e-03 -1.7933000000e-03  1.9737000000e-03 -3.8868000000e-03  4.7814000000e-03 -2.7612000000e-03 -1.4271000000e-03 -3.1751000000e-03 -8.6973000000e-03  6.6455000000e-03  3.0987000000e-03  7.9071000000e-03 -4.6542000000e-03 -1.6565000000e-03  3.7170000000e-04 -1.8545000000e-03
+
+JOB 45
+COORDS -1.0703300000e+00  7.0665700000e-01  7.6812800000e-01 -3.6474800000e-01  2.0817600000e-01  3.5593400000e-01 -6.6776400000e-01  1.0950000000e+00  1.5448920000e+00  9.7970400000e-01 -6.4848300000e-01 -7.4504300000e-01  5.6500200000e-01 -1.4571960000e+00 -1.0454400000e+00  1.8571390000e+00 -6.7256000000e-01 -1.1268280000e+00
+ENERGY -1.526607634872e+02
+FORCES  9.0992000000e-03 -2.3864000000e-03 -2.5623000000e-03 -8.1739000000e-03  1.1312000000e-03  4.3674000000e-03 -1.0151000000e-03 -1.0180000000e-03 -2.3760000000e-03  1.8545000000e-03 -5.3800000000e-04 -2.2009000000e-03  2.2383000000e-03  4.3891000000e-03  1.8779000000e-03 -4.0030000000e-03 -1.5779000000e-03  8.9390000000e-04
+
+JOB 46
+COORDS -8.4364800000e-01  4.4761000000e-01 -1.1581730000e+00 -2.5262100000e-01  5.0390500000e-01 -1.9090060000e+00 -2.9264400000e-01  1.3135100000e-01 -4.4220800000e-01  7.2115500000e-01 -3.9904500000e-01  1.1548640000e+00  1.5998320000e+00 -1.9411000000e-02  1.1609500000e+00  8.6592200000e-01 -1.3406950000e+00  1.2474350000e+00
+ENERGY -1.526611425399e+02
+FORCES  6.7769000000e-03 -2.8720000000e-03  6.5417000000e-03 -1.1073000000e-03 -3.3390000000e-04  2.9023000000e-03 -4.9898000000e-03  2.8517000000e-03 -9.6016000000e-03  3.7589000000e-03 -2.2069000000e-03  2.0931000000e-03 -4.4261000000e-03 -2.5563000000e-03 -9.9840000000e-04 -1.2600000000e-05  5.1174000000e-03 -9.3720000000e-04
+
+JOB 47
+COORDS -1.1623590000e+00 -8.4444200000e-01  1.1921200000e-01 -1.7753720000e+00 -2.4224200000e-01  5.4087700000e-01 -1.4524050000e+00 -8.8299900000e-01 -7.9217100000e-01  1.2372260000e+00  8.5152900000e-01 -4.2627000000e-02  1.5971300000e+00  7.7310900000e-01 -9.2611500000e-01  4.9454300000e-01  2.4776500000e-01 -3.1570000000e-02
+ENERGY -1.526608113008e+02
+FORCES -6.0645000000e-03  1.2215000000e-03 -7.2340000000e-04  3.7554000000e-03 -2.9400000000e-03 -2.9452000000e-03  3.0411000000e-03  1.3571000000e-03  4.5111000000e-03 -6.4114000000e-03 -7.3726000000e-03 -1.1773000000e-03 -2.1578000000e-03 -1.7380000000e-04  2.4453000000e-03  7.8372000000e-03  7.9079000000e-03 -2.1104000000e-03
+
+JOB 48
+COORDS -2.5947800000e-01 -9.7827800000e-01 -1.1143440000e+00  5.5839500000e-01 -1.1586560000e+00 -1.5777860000e+00  1.3810000000e-02 -5.5018700000e-01 -3.0299700000e-01  1.9208700000e-01  8.9292200000e-01  1.0813920000e+00  8.9426400000e-01  1.5010910000e+00  8.5050200000e-01 -4.8159300000e-01  1.4441720000e+00  1.4795270000e+00
+ENERGY -1.526605015682e+02
+FORCES  3.2191000000e-03  4.9203000000e-03  6.6494000000e-03 -2.1626000000e-03  1.5648000000e-03  1.9976000000e-03  3.4030000000e-04 -6.7222000000e-03 -7.7620000000e-03 -2.3404000000e-03  4.6786000000e-03 -5.5850000000e-04 -3.2311000000e-03 -3.1142000000e-03  9.3530000000e-04  4.1748000000e-03 -1.3273000000e-03 -1.2618000000e-03
+
+JOB 49
+COORDS -3.4903700000e-01 -1.3513380000e+00  2.3942400000e-01  2.6107800000e-01 -1.8331180000e+00 -3.1903800000e-01 -1.0813180000e+00 -1.9537010000e+00  3.7040100000e-01  3.6678700000e-01  1.4724010000e+00 -1.8443600000e-01 -7.7334000000e-02  6.9816300000e-01  1.6131600000e-01  6.5078000000e-01  1.2145600000e+00 -1.0614180000e+00
+ENERGY -1.526600226176e+02
+FORCES  1.7300000000e-04 -3.8221000000e-03 -1.4924000000e-03 -3.5373000000e-03  2.1610000000e-03  2.0366000000e-03  3.9385000000e-03  2.1367000000e-03 -1.0719000000e-03 -2.7920000000e-03 -9.7303000000e-03 -8.1350000000e-04  2.1627000000e-03  8.2679000000e-03 -8.9090000000e-04  5.5200000000e-05  9.8680000000e-04  2.2321000000e-03
+
+JOB 50
+COORDS  3.3479300000e-01 -1.3940690000e+00  3.3177500000e-01  1.1154410000e+00 -1.4547450000e+00 -2.1880500000e-01 -3.6097200000e-01 -1.7886370000e+00 -1.9401900000e-01 -3.4951100000e-01  1.4696800000e+00 -2.1848300000e-01 -5.4327300000e-01  1.5328060000e+00 -1.1537390000e+00  1.9159000000e-02  5.9321100000e-01 -1.0840300000e-01
+ENERGY -1.526590422125e+02
+FORCES -3.9500000000e-04 -6.1036000000e-03 -2.2122000000e-03 -5.3704000000e-03  3.1040000000e-03  2.0397000000e-03  4.1807000000e-03  3.3438000000e-03  1.7896000000e-03  1.6987000000e-03 -8.3449000000e-03  2.5200000000e-04  8.4410000000e-04 -1.4693000000e-03  3.1524000000e-03 -9.5810000000e-04  9.4701000000e-03 -5.0215000000e-03
+
+JOB 51
+COORDS  1.2008960000e+00 -7.9815500000e-01  1.9714400000e-01  1.7413160000e+00 -5.0796400000e-01  9.3197000000e-01  1.6514980000e+00 -4.6446100000e-01 -5.7863800000e-01 -1.2319010000e+00  8.2065000000e-01 -1.7559200000e-01 -8.5274900000e-01 -5.4392000000e-02 -9.3269000000e-02 -2.0844380000e+00  6.7517900000e-01 -5.8577500000e-01
+ENERGY -1.526600915024e+02
+FORCES  4.3815000000e-03  5.0066000000e-03  4.7250000000e-04 -1.3682000000e-03 -1.6749000000e-03 -3.5698000000e-03 -1.7963000000e-03 -2.2069000000e-03  3.5074000000e-03  2.5514000000e-03 -5.7326000000e-03  8.7860000000e-04 -7.6565000000e-03  5.0808000000e-03 -2.5419000000e-03  3.8880000000e-03 -4.7290000000e-04  1.2532000000e-03
+
+JOB 52
+COORDS  5.1836000000e-02 -7.8909300000e-01 -1.2606830000e+00  3.9164200000e-01  1.4130000000e-02 -1.6551410000e+00  8.3259500000e-01 -1.2967120000e+00 -1.0393900000e+00 -7.4781000000e-02  7.6718400000e-01  1.3216240000e+00 -6.8190900000e-01  1.4645300000e+00  1.0739630000e+00 -2.0626100000e-01  8.8256000000e-02  6.5980700000e-01
+ENERGY -1.526603786056e+02
+FORCES  6.1790000000e-03  1.0451000000e-03 -3.4754000000e-03 -2.3669000000e-03 -3.7675000000e-03  2.7055000000e-03 -4.4490000000e-03  3.1650000000e-03  2.7100000000e-05 -3.9791000000e-03 -3.5905000000e-03 -7.5197000000e-03  2.5642000000e-03 -1.9128000000e-03  3.3500000000e-04  2.0518000000e-03  5.0607000000e-03  7.9276000000e-03
+
+JOB 53
+COORDS  4.5171800000e-01  1.4644420000e+00  5.0586000000e-02  1.9497700000e-01  5.4466800000e-01 -1.5226000000e-02 -3.7491000000e-01  1.9465380000e+00  2.8185000000e-02 -4.1242700000e-01 -1.3763130000e+00 -5.2570000000e-02 -2.1552500000e-01 -2.0039430000e+00 -7.4794100000e-01 -1.8046700000e-01 -1.8332640000e+00  7.5589900000e-01
+ENERGY -1.526621926391e+02
+FORCES -5.5191000000e-03 -7.5567000000e-03 -1.0570000000e-03  3.3922000000e-03  9.7679000000e-03  1.3853000000e-03  2.4985000000e-03 -1.4140000000e-03  1.2120000000e-04  1.6408000000e-03 -4.9471000000e-03 -3.5200000000e-05 -1.0394000000e-03  2.1712000000e-03  4.0409000000e-03 -9.7310000000e-04  1.9787000000e-03 -4.4551000000e-03
+
+JOB 54
+COORDS  9.2910800000e-01 -2.8915600000e-01  1.1943830000e+00  4.7821000000e-01  4.9121000000e-02  4.2076100000e-01  1.1568880000e+00 -1.1900260000e+00  9.6464100000e-01 -8.8307200000e-01  2.6341300000e-01 -1.1721670000e+00 -7.4412000000e-01  1.2025960000e+00 -1.2940680000e+00 -1.5667540000e+00  2.0661300000e-01 -5.0464700000e-01
+ENERGY -1.526601463312e+02
+FORCES -2.8312000000e-03 -2.1462000000e-03 -9.3245000000e-03  2.9994000000e-03  1.1065000000e-03  8.7527000000e-03 -6.7200000000e-04  2.7017000000e-03  1.5721000000e-03 -5.7238000000e-03  3.3108000000e-03 -7.5540000000e-04  5.1620000000e-04 -5.4331000000e-03  2.4295000000e-03  5.7114000000e-03  4.6030000000e-04 -2.6744000000e-03
+
+JOB 55
+COORDS  1.6223200000e-01  1.7942400000e-01 -1.5108930000e+00 -1.5415400000e-01 -5.3776000000e-01 -2.0602370000e+00 -5.0030000000e-02 -9.0923000000e-02 -6.1753500000e-01 -1.4954700000e-01 -5.4421000000e-02  1.4598620000e+00 -7.2013600000e-01 -7.7418600000e-01  1.7293010000e+00  7.3449800000e-01 -3.5999000000e-01  1.6631470000e+00
+ENERGY -1.526601186465e+02
+FORCES -2.8417000000e-03 -1.9336000000e-03  6.9753000000e-03  8.1800000000e-04  1.9448000000e-03  3.0314000000e-03  2.1350000000e-03 -1.6757000000e-03 -1.0785600000e-02  1.8732000000e-03 -2.3115000000e-03  5.9462000000e-03  3.2583000000e-03  3.1740000000e-03 -3.0382000000e-03 -5.2427000000e-03  8.0190000000e-04 -2.1292000000e-03
+
+JOB 56
+COORDS  1.1723340000e+00  6.8486900000e-01  5.5481000000e-01  1.1664280000e+00  1.5382630000e+00  9.8830300000e-01  1.6224730000e+00  1.0619400000e-01  1.1702290000e+00 -1.1978060000e+00 -7.4112000000e-01 -6.7385300000e-01 -4.5783800000e-01 -2.6612100000e-01 -2.9562600000e-01 -1.9381170000e+00 -5.2200200000e-01 -1.0802900000e-01
+ENERGY -1.526613381293e+02
+FORCES  3.2064000000e-03  2.0834000000e-03  4.1718000000e-03  3.5500000000e-04 -4.4296000000e-03 -1.2721000000e-03 -2.6742000000e-03  3.3227000000e-03 -2.6413000000e-03  4.5738000000e-03  5.4651000000e-03  4.8670000000e-03 -7.8117000000e-03 -5.8673000000e-03 -3.5478000000e-03  2.3508000000e-03 -5.7430000000e-04 -1.5777000000e-03
+
+JOB 57
+COORDS -9.2741600000e-01 -8.8675300000e-01  8.9135200000e-01 -9.0503700000e-01 -3.7051300000e-01  1.6970980000e+00 -6.1374200000e-01 -2.8779300000e-01  2.1379100000e-01  9.3340900000e-01  8.0407700000e-01 -8.4317800000e-01  4.1204000000e-01  1.5825870000e+00 -1.0389540000e+00  1.0106010000e+00  3.4972700000e-01 -1.6821300000e+00
+ENERGY -1.526589930490e+02
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+
+JOB 58
+COORDS  8.4229200000e-01  4.3020300000e-01 -1.2078900000e+00  1.5585000000e-01 -1.5824400000e-01 -8.9363000000e-01  1.2420740000e+00 -3.7404000000e-02 -1.9412040000e+00 -8.2193900000e-01 -3.1090600000e-01  1.2081260000e+00 -1.5318800000e-01 -8.3682600000e-01  1.6467730000e+00 -1.5919590000e+00 -8.7868300000e-01  1.1776470000e+00
+ENERGY -1.526575389865e+02
+FORCES -4.0303000000e-03 -3.1214000000e-03  1.8180000000e-03  5.3585000000e-03  6.1560000000e-04 -6.8116000000e-03 -1.9979000000e-03  1.0414000000e-03  3.5925000000e-03  8.3000000000e-05 -2.6899000000e-03  5.7449000000e-03 -3.7954000000e-03  1.6921000000e-03 -2.8889000000e-03  4.3820000000e-03  2.4622000000e-03 -1.4550000000e-03
+
+JOB 59
+COORDS -2.1249700000e-01  5.9503700000e-01 -1.4228040000e+00  6.7482300000e-01  2.3603300000e-01 -1.4193420000e+00 -7.8050600000e-01 -1.6988600000e-01 -1.5149500000e+00  1.3963400000e-01 -5.6505400000e-01  1.4487490000e+00  9.9624000000e-01 -4.8850000000e-01  1.8689840000e+00  1.9928000000e-01 -9.1800000000e-04  6.7776000000e-01
+ENERGY -1.526581434524e+02
+FORCES -6.1850000000e-04 -5.4030000000e-03 -5.0000000000e-03 -4.5920000000e-03  2.3418000000e-03  4.2359000000e-03  3.4055000000e-03  4.3879000000e-03  1.0478000000e-03  1.2526000000e-03  5.2299000000e-03 -2.7510000000e-03 -2.9137000000e-03 -5.8400000000e-05 -2.8285000000e-03  3.4661000000e-03 -6.4980000000e-03  5.2958000000e-03
+
+JOB 60
+COORDS -9.5534500000e-01  1.0921050000e+00  6.6862500000e-01 -4.7493500000e-01  4.6198700000e-01  1.3160600000e-01 -7.0409900000e-01  1.9467460000e+00  3.1834500000e-01  9.1222000000e-01 -1.0757540000e+00 -5.5799600000e-01  5.4879400000e-01 -1.9294240000e+00 -7.9337200000e-01  1.2409110000e+00 -7.1906500000e-01 -1.3832030000e+00
+ENERGY -1.526598856600e+02
+FORCES  5.7165000000e-03 -3.1280000000e-03 -3.5817000000e-03 -6.3899000000e-03  7.8058000000e-03  2.0705000000e-03 -5.2550000000e-04 -3.1321000000e-03  6.1340000000e-04  2.0666000000e-03 -5.3043000000e-03 -4.0884000000e-03  2.0028000000e-03  4.4311000000e-03  6.1050000000e-04 -2.8706000000e-03 -6.7250000000e-04  4.3757000000e-03
+
+JOB 61
+COORDS  1.0269000000e-01 -1.3969880000e+00 -8.2493800000e-01  4.6296700000e-01 -1.6769610000e+00  1.6517000000e-02 -1.7428000000e-01 -4.9252700000e-01 -6.7841100000e-01 -1.5410300000e-01  1.3979100000e+00  7.2308400000e-01  7.9024700000e-01  1.2693000000e+00  6.3423000000e-01 -3.8734200000e-01  9.2111700000e-01  1.5196390000e+00
+ENERGY -1.526576074310e+02
+FORCES -1.5777000000e-03  5.2258000000e-03  4.5622000000e-03 -7.7300000000e-04  1.4107000000e-03 -2.5486000000e-03  3.1456000000e-03 -7.1892000000e-03 -2.3888000000e-03  3.2581000000e-03  9.0730000000e-04  5.5922000000e-03 -5.6761000000e-03 -1.3973000000e-03 -4.1400000000e-04  1.6232000000e-03  1.0427000000e-03 -4.8031000000e-03
+
+JOB 62
+COORDS -8.7301000000e-01 -1.2018410000e+00  5.2541200000e-01 -4.0547600000e-01 -2.0268130000e+00  3.9477900000e-01 -6.8934400000e-01 -9.6317400000e-01  1.4340030000e+00  8.0632400000e-01  1.2067850000e+00 -6.2400200000e-01  4.2039500000e-01  1.2460770000e+00  2.5106700000e-01  1.6460400000e+00  1.6578290000e+00 -5.3642900000e-01
+ENERGY -1.526525483356e+02
+FORCES  4.0566000000e-03 -3.4799000000e-03  9.8780000000e-04 -2.6005000000e-03  2.8508000000e-03  1.2445000000e-03 -1.9920000000e-04  1.1318000000e-03 -4.2343000000e-03 -6.7200000000e-04  4.3880000000e-04  4.2868000000e-03  2.8740000000e-03  1.8628000000e-03 -2.0953000000e-03 -3.4588000000e-03 -2.8044000000e-03 -1.8960000000e-04
+
+JOB 63
+COORDS -1.4199270000e+00  5.6653600000e-01  5.6795500000e-01 -1.3532770000e+00  1.1254230000e+00  1.3421870000e+00 -5.2087900000e-01  4.9136600000e-01  2.4812100000e-01  1.3420770000e+00 -5.7872400000e-01 -5.3631700000e-01  2.2169470000e+00 -3.5638000000e-01 -8.5474700000e-01  9.3987300000e-01 -1.0624830000e+00 -1.2577330000e+00
+ENERGY -1.526603417263e+02
+FORCES  6.8039000000e-03  4.0430000000e-04  1.2561000000e-03 -1.9440000000e-04 -1.6681000000e-03 -2.6461000000e-03 -8.7182000000e-03  2.4117000000e-03  1.7537000000e-03  3.8324000000e-03 -2.7406000000e-03 -4.8133000000e-03 -3.8429000000e-03 -1.5620000000e-03  1.0945000000e-03  2.1193000000e-03  3.1547000000e-03  3.3551000000e-03
+
+JOB 64
+COORDS -7.9220500000e-01 -1.0750390000e+00  8.0670800000e-01 -1.6336370000e+00 -1.3603890000e+00  4.5061800000e-01 -9.6845300000e-01 -9.0504000000e-01  1.7320560000e+00  8.6926000000e-01  1.0907260000e+00 -9.0107900000e-01  9.8906100000e-01  1.6776980000e+00 -1.5452400000e-01  4.2285200000e-01  3.2658000000e-01 -5.3634200000e-01
+ENERGY -1.526602700339e+02
+FORCES -5.2313000000e-03 -1.6249000000e-03  3.6223000000e-03  3.8783000000e-03  1.4112000000e-03  2.0359000000e-03  3.7750000000e-04 -7.7770000000e-04 -4.2197000000e-03 -3.1180000000e-03 -3.5895000000e-03  6.4772000000e-03 -8.9000000000e-05 -1.2894000000e-03 -2.4958000000e-03  4.1825000000e-03  5.8704000000e-03 -5.4198000000e-03
+
+JOB 65
+COORDS  3.1185800000e-01 -1.6107590000e+00 -1.7734200000e-01  7.1140000000e-02 -8.7031200000e-01  3.7945700000e-01  1.0492460000e+00 -2.0210460000e+00  2.7449500000e-01 -3.8903800000e-01  1.5527940000e+00  8.3148000000e-02  3.7698700000e-01  1.2608760000e+00  5.7733500000e-01 -3.6156600000e-01  2.5079140000e+00  1.3992100000e-01
+ENERGY -1.526530701438e+02
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+
+JOB 66
+COORDS -2.3072600000e-01 -1.6198890000e+00  2.0398000000e-01  4.7976200000e-01 -1.6874650000e+00  8.4184600000e-01 -9.1004200000e-01 -1.1174170000e+00  6.5373900000e-01  1.9576600000e-01  1.5886660000e+00 -2.1019400000e-01 -3.1003000000e-02  2.1652650000e+00 -9.3981200000e-01  9.9570200000e-01  1.1460400000e+00 -4.9377200000e-01
+ENERGY -1.526558729724e+02
+FORCES -1.3160000000e-03  4.4113000000e-03  4.6125000000e-03 -1.9859000000e-03  3.9390000000e-04 -3.1078000000e-03  2.0367000000e-03 -4.5280000000e-03 -1.0318000000e-03  2.4937000000e-03 -1.4765000000e-03 -5.2320000000e-03  8.3050000000e-04 -2.3495000000e-03  2.9160000000e-03 -2.0591000000e-03  3.5487000000e-03  1.8430000000e-03
+
+JOB 67
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+ENERGY -1.526566490390e+02
+FORCES -6.0841000000e-03  7.4080000000e-04 -3.2433000000e-03  4.6474000000e-03  3.7869000000e-03 -7.7600000000e-04  2.6064000000e-03 -3.1985000000e-03  1.9925000000e-03 -1.7880000000e-04 -4.6470000000e-03 -3.8303000000e-03 -2.5899000000e-03  2.0358000000e-03 -1.5943000000e-03  1.5992000000e-03  1.2821000000e-03  7.4513000000e-03
+
+JOB 68
+COORDS  9.1577300000e-01 -4.5964200000e-01  1.2972460000e+00  1.3868120000e+00  3.0586800000e-01  1.6264090000e+00  1.5293030000e+00 -8.7734600000e-01  6.9281500000e-01 -9.5192000000e-01  4.9601600000e-01 -1.2547280000e+00 -5.4306600000e-01 -3.6872700000e-01 -1.2906550000e+00 -1.8026840000e+00  3.7695800000e-01 -1.6769340000e+00
+ENERGY -1.526533531265e+02
+FORCES  3.9392000000e-03  3.7963000000e-03 -7.6650000000e-04 -1.2915000000e-03 -3.7698000000e-03 -6.5480000000e-04 -3.6620000000e-03  1.1899000000e-03  1.3601000000e-03 -1.3559000000e-03 -4.9376000000e-03  4.6010000000e-04 -1.0873000000e-03  3.1583000000e-03 -2.3585000000e-03  3.4574000000e-03  5.6290000000e-04  1.9595000000e-03
+
+JOB 69
+COORDS -4.2413000000e-02 -7.3872300000e-01  1.5782660000e+00 -3.0025400000e-01  8.9716000000e-02  1.1739900000e+00  6.6142500000e-01 -1.0693290000e+00  1.0201050000e+00  5.0792000000e-02  6.8635900000e-01 -1.4822600000e+00 -4.1482100000e-01  2.9230800000e-01 -2.2199320000e+00 -1.8824100000e-01  1.6126620000e+00 -1.5147930000e+00
+ENERGY -1.526578937725e+02
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+
+JOB 70
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+ENERGY -1.526571809149e+02
+FORCES -2.2173000000e-03  2.4900000000e-05 -5.7504000000e-03 -9.0650000000e-04  2.1695000000e-03  2.9202000000e-03  2.5487000000e-03 -3.3367000000e-03  3.0128000000e-03  5.0574000000e-03 -2.6259000000e-03  2.6909000000e-03 -1.2160000000e-03  2.6493000000e-03 -4.2730000000e-03 -3.2663000000e-03  1.1190000000e-03  1.3995000000e-03
+
+JOB 71
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+ENERGY -1.526578023680e+02
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+
+JOB 72
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+ENERGY -1.526564885120e+02
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+
+JOB 73
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+ENERGY -1.526533087857e+02
+FORCES  4.4240000000e-03 -3.6050000000e-04 -1.3579000000e-03  1.0110000000e-04  1.6057000000e-03  2.7913000000e-03 -4.0735000000e-03 -1.3852000000e-03 -1.5088000000e-03 -4.0325000000e-03 -2.5160000000e-04 -1.7221000000e-03 -4.2340000000e-04 -1.2201000000e-03  3.3177000000e-03  4.0043000000e-03  1.6117000000e-03 -1.5202000000e-03
+
+JOB 74
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+ENERGY -1.526539608146e+02
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+JOB 75
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+ENERGY -1.526561531716e+02
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+JOB 76
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+ENERGY -1.526546951657e+02
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+JOB 77
+COORDS  5.7558800000e-01 -1.6066710000e+00  1.4300420000e+00  7.7233400000e-01 -1.5528420000e+00  2.3652560000e+00  6.4508600000e-01 -2.5387210000e+00  1.2234400000e+00 -6.0204900000e-01  1.5869880000e+00 -1.4838650000e+00 -1.4387200000e-01  2.0099300000e+00 -7.5762400000e-01 -8.8311800000e-01  2.3103980000e+00 -2.0441420000e+00
+ENERGY -1.526536485038e+02
+FORCES  7.7370000000e-04 -4.0280000000e-03  2.4244000000e-03 -7.6300000000e-04  8.0800000000e-05 -3.8606000000e-03 -1.5160000000e-04  3.7434000000e-03  1.1605000000e-03  1.0780000000e-03  4.1308000000e-03  1.4443000000e-03 -2.0223000000e-03 -8.9300000000e-04 -3.3738000000e-03  1.0851000000e-03 -3.0339000000e-03  2.2052000000e-03
+
+JOB 78
+COORDS  4.5409000000e-01  2.3673440000e+00 -3.6626100000e-01 -1.3973300000e-01  1.6364370000e+00 -5.3766600000e-01  1.2730260000e+00  2.1165180000e+00 -7.9365100000e-01 -4.4426200000e-01 -2.2824530000e+00  3.5242000000e-01 -1.3584760000e+00 -2.5344670000e+00  4.8254900000e-01 -6.0350000000e-03 -2.5422180000e+00  1.1627970000e+00
+ENERGY -1.526554738570e+02
+FORCES  8.4650000000e-04 -4.8885000000e-03 -2.3772000000e-03  2.1528000000e-03  3.9775000000e-03  5.0810000000e-04 -3.0282000000e-03  1.4214000000e-03  1.6618000000e-03 -1.8869000000e-03 -2.7060000000e-03  4.2720000000e-03  3.7854000000e-03  1.2125000000e-03 -6.1510000000e-04 -1.8696000000e-03  9.8310000000e-04 -3.4496000000e-03
+
+JOB 79
+COORDS -8.9763000000e-02  5.2328500000e-01 -2.4389900000e+00 -7.0413000000e-01 -1.8225400000e-01 -2.2365100000e+00  2.7970300000e-01  7.7043800000e-01 -1.5912630000e+00  1.4347700000e-01 -4.4286500000e-01  2.3821300000e+00 -2.1507200000e-01 -9.2534400000e-01  1.6372220000e+00 -1.8725600000e-01 -9.0767700000e-01  3.1507640000e+00
+ENERGY -1.526539390035e+02
+FORCES -7.6590000000e-04 -1.2331000000e-03  4.1869000000e-03  2.5569000000e-03  2.6225000000e-03 -4.6820000000e-04 -1.8616000000e-03 -1.6092000000e-03 -3.7709000000e-03 -2.8033000000e-03 -4.2243000000e-03  1.1084000000e-03  1.5165000000e-03  2.5392000000e-03  2.2485000000e-03  1.3574000000e-03  1.9049000000e-03 -3.3046000000e-03
+
+JOB 80
+COORDS  1.1008000000e-01  2.4826730000e+00 -2.9931800000e-01  8.4772800000e-01  2.7987140000e+00 -8.2107000000e-01 -4.1474600000e-01  1.9682490000e+00 -9.1263500000e-01 -9.0093000000e-02 -2.4181750000e+00  3.8983500000e-01 -9.1525100000e-01 -2.4624520000e+00 -9.3264000000e-02  2.7436600000e-01 -3.3008010000e+00  3.2371900000e-01
+ENERGY -1.526535822915e+02
+FORCES  1.2093000000e-03 -1.6030000000e-03 -4.3600000000e-03 -3.0448000000e-03 -1.0313000000e-03  2.0416000000e-03  1.7597000000e-03  2.4607000000e-03  2.2099000000e-03 -1.8782000000e-03 -3.8990000000e-03 -1.8075000000e-03  3.4413000000e-03  4.0000000000e-04  1.7026000000e-03 -1.4873000000e-03  3.6726000000e-03  2.1330000000e-04
+
+JOB 81
+COORDS -1.6053770000e+00  2.6279900000e-01  2.4612410000e+00 -1.0005500000e+00 -1.0465900000e-01  3.1057500000e+00 -1.4164230000e+00 -2.1625600000e-01  1.6543740000e+00  1.5763530000e+00 -2.0155500000e-01 -2.3852660000e+00  2.1627070000e+00 -3.4625400000e-01 -3.1278850000e+00  6.9724100000e-01 -2.4699700000e-01 -2.7612050000e+00
+ENERGY -1.526544062446e+02
+FORCES  3.7300000000e-03 -3.3415000000e-03 -8.2860000000e-04 -2.6185000000e-03  1.4431000000e-03 -2.4315000000e-03 -1.2264000000e-03  1.8533000000e-03  3.2947000000e-03 -9.5120000000e-04 -5.0130000000e-04 -4.8756000000e-03 -2.4401000000e-03  5.4850000000e-04  3.0387000000e-03  3.5062000000e-03 -2.2000000000e-06  1.8022000000e-03
+
+JOB 82
+COORDS  5.5271900000e-01 -3.2014000000e+00  1.2131970000e+00  2.3242000000e-01 -3.2981420000e+00  3.1637900000e-01  6.0769700000e-01 -2.2552860000e+00  1.3476470000e+00 -5.5600200000e-01  3.0844890000e+00 -1.1808010000e+00 -9.3038300000e-01  3.8811230000e+00 -1.5568910000e+00  1.2751100000e-01  3.3971570000e+00 -5.8811200000e-01
+ENERGY -1.526544638498e+02
+FORCES -1.2487000000e-03  3.6303000000e-03 -3.2650000000e-03  1.3631000000e-03  2.1440000000e-04  3.6771000000e-03 -6.2700000000e-05 -3.9118000000e-03 -3.6040000000e-04  1.1556000000e-03  4.7858000000e-03  7.5230000000e-04  1.5660000000e-03 -3.2589000000e-03  1.5595000000e-03 -2.7733000000e-03 -1.4598000000e-03 -2.3636000000e-03
+
+JOB 83
+COORDS -2.7151600000e-01  7.9021100000e-01  3.4776540000e+00  4.5498700000e-01  1.2657460000e+00  3.0748000000e+00 -9.4854100000e-01  1.4537620000e+00  3.6102010000e+00  2.3758900000e-01 -8.8303200000e-01 -3.5071260000e+00  1.1829450000e+00 -7.3417000000e-01 -3.4877770000e+00 -8.7196000000e-02 -4.6743700000e-01 -2.7083610000e+00
+ENERGY -1.526540394092e+02
+FORCES  1.5040000000e-04  4.6974000000e-03 -7.4240000000e-04 -2.9880000000e-03 -2.0186000000e-03  1.4122000000e-03  2.8170000000e-03 -2.7325000000e-03 -6.5720000000e-04  2.4782000000e-03  2.1046000000e-03  3.4541000000e-03 -3.8395000000e-03 -5.1970000000e-04 -1.0030000000e-04  1.3818000000e-03 -1.5312000000e-03 -3.3663000000e-03
+
+JOB 84
+COORDS  1.2369100000e+00  3.7150030000e+00  5.1491000000e-02  1.4890640000e+00  4.1994150000e+00  8.3761700000e-01  1.7690960000e+00  4.0966700000e+00 -6.4660700000e-01 -1.2812930000e+00 -3.7766960000e+00 -1.2525300000e-01 -5.6015500000e-01 -3.8456180000e+00  5.0040000000e-01 -2.0236530000e+00 -3.4723490000e+00  3.9676800000e-01
+ENERGY -1.526540639479e+02
+FORCES  3.2049000000e-03  3.5354000000e-03  2.2570000000e-04 -1.0449000000e-03 -2.0149000000e-03 -3.1601000000e-03 -2.1589000000e-03 -1.5260000000e-03  2.8982000000e-03 -2.6500000000e-05  1.2586000000e-03  4.6562000000e-03 -2.9420000000e-03  1.2810000000e-04 -2.5213000000e-03  2.9674000000e-03 -1.3812000000e-03 -2.0988000000e-03
+
+JOB 85
+COORDS  9.4857800000e-01  4.0051110000e+00 -6.6741100000e-01  1.6248900000e-01  3.4647240000e+00 -7.4663600000e-01  1.3226010000e+00  3.7619640000e+00  1.7947700000e-01 -9.0710800000e-01 -4.0078900000e+00  6.6556400000e-01 -3.9840200000e-01 -3.6155630000e+00 -4.4034000000e-02 -1.7449910000e+00 -3.5455810000e+00  6.4422200000e-01
+ENERGY -1.526539709808e+02
+FORCES -1.6338000000e-03 -3.0560000000e-03  3.2146000000e-03  3.1979000000e-03  2.0967000000e-03  2.7850000000e-04 -1.5683000000e-03  9.4080000000e-04 -3.5147000000e-03 -1.3681000000e-03  3.2820000000e-03 -3.0621000000e-03 -2.1006000000e-03 -1.4874000000e-03  2.9690000000e-03  3.4729000000e-03 -1.7762000000e-03  1.1480000000e-04
+
+JOB 86
+COORDS -5.4721000000e-01  8.1433800000e-01 -4.1816780000e+00 -1.1755870000e+00  7.4130700000e-01 -4.9000380000e+00 -1.8709000000e-02  1.8650000000e-02 -4.2433070000e+00  5.9972700000e-01 -7.8945200000e-01  4.2638060000e+00  6.7307500000e-01 -5.3224300000e-01  3.3447330000e+00 -3.0242000000e-01 -5.7545200000e-01  4.5016420000e+00
+ENERGY -1.526542424964e+02
+FORCES -3.8190000000e-04 -3.5074000000e-03 -3.3376000000e-03  2.5553000000e-03  2.8430000000e-04  2.9659000000e-03 -2.1783000000e-03  3.2440000000e-03  3.4220000000e-04 -3.3927000000e-03  2.0253000000e-03 -2.8385000000e-03 -2.6850000000e-04 -1.1314000000e-03  3.7884000000e-03  3.6662000000e-03 -9.1490000000e-04 -9.2040000000e-04
+
+JOB 87
+COORDS -3.4285100000e-01 -3.4178420000e+00 -2.7587940000e+00 -6.1720600000e-01 -2.5498650000e+00 -3.0547270000e+00 -9.5085300000e-01 -3.6335900000e+00 -2.0516740000e+00  3.5589700000e-01  3.3741950000e+00  2.6806120000e+00  2.2977800000e-01  3.9357060000e+00  3.4454860000e+00  1.1602760000e+00  2.8903970000e+00  2.8680800000e+00
+ENERGY -1.526542369945e+02
+FORCES -3.6244000000e-03  2.7669000000e-03  1.7073000000e-03  1.1284000000e-03 -3.5978000000e-03  1.1572000000e-03  2.4884000000e-03  8.0710000000e-04 -2.8829000000e-03  2.8342000000e-03  3.6670000000e-04  3.9079000000e-03  4.9630000000e-04 -2.3032000000e-03 -3.1210000000e-03 -3.3229000000e-03  1.9604000000e-03 -7.6850000000e-04
+
+JOB 88
+COORDS -1.1858400000e-01 -2.6995700000e+00 -4.2214740000e+00 -3.5343100000e-01 -2.5437310000e+00 -5.1362380000e+00  3.6232900000e-01 -1.9143260000e+00 -3.9600440000e+00  8.0629000000e-02  2.5940830000e+00  4.2918030000e+00  1.0135880000e+00  2.7434470000e+00  4.1384770000e+00 -3.4997400000e-01  3.3636690000e+00  3.9195810000e+00
+ENERGY -1.526539922667e+02
+FORCES  9.7910000000e-04  3.8255000000e-03 -2.6202000000e-03  9.6670000000e-04 -6.2800000000e-04  3.7275000000e-03 -1.9429000000e-03 -3.1874000000e-03 -1.0987000000e-03  2.0322000000e-03  3.7235000000e-03 -2.1031000000e-03 -3.8071000000e-03 -5.9780000000e-04  5.9790000000e-04  1.7721000000e-03 -3.1359000000e-03  1.4966000000e-03
+
+JOB 89
+COORDS  1.2029940000e+00 -6.2623030000e+00  2.5839100000e+00  1.5562280000e+00 -6.1200630000e+00  1.7057160000e+00  7.0576200000e-01 -7.0771870000e+00  2.5135020000e+00 -1.2343390000e+00  6.2771910000e+00 -2.5854090000e+00 -3.0597300000e-01  6.1141150000e+00 -2.4187510000e+00 -1.5197400000e+00  6.8155280000e+00 -1.8471880000e+00
+ENERGY -1.526540985986e+02
+FORCES -6.0580000000e-04 -2.7473000000e-03 -3.8809000000e-03 -1.4286000000e-03 -5.7670000000e-04  3.5886000000e-03  2.0344000000e-03  3.3214000000e-03  2.9260000000e-04  2.6195000000e-03  1.5243000000e-03  3.7150000000e-03 -3.7831000000e-03  6.6650000000e-04 -6.9480000000e-04  1.1635000000e-03 -2.1882000000e-03 -3.0205000000e-03
+
+JOB 0
+COORDS -1.1972260000e+00 -3.2723900000e-01  7.6919000000e-02 -1.5312480000e+00 -3.8309300000e-01 -8.1836900000e-01 -1.7312960000e+00  3.5099200000e-01  4.9044500000e-01  1.2841050000e+00  3.3329000000e-01 -8.6924000000e-02  1.6807710000e+00 -3.5753500000e-01  4.4378100000e-01  3.4287500000e-01  2.3662500000e-01  5.7902000000e-02
+ENERGY -1.526573512613e+02
+FORCES  1.0040400000e-02  2.8146000000e-03 -4.1230000000e-03  1.3232000000e-03  1.4218000000e-03  5.7035000000e-03  5.3405000000e-03 -2.8030000000e-03 -3.2989000000e-03 -2.1895400000e-02 -8.3440000000e-03  3.0764000000e-03 -1.5875000000e-03  1.4902000000e-03 -1.1229000000e-03  6.7788000000e-03  5.4204000000e-03 -2.3510000000e-04
+
+JOB 1
+COORDS -9.4596100000e-01  8.5894600000e-01  1.1857500000e-01 -1.6974630000e+00  5.6055000000e-01 -3.9371100000e-01 -6.7178600000e-01  1.6707520000e+00 -3.0807500000e-01  1.0069360000e+00 -9.0666800000e-01 -1.1730600000e-01  1.1496740000e+00 -1.2596090000e+00  7.6092500000e-01  2.9690900000e-01 -2.7389500000e-01 -9.1750000000e-03
+ENERGY -1.526601058507e+02
+FORCES  4.7051000000e-03 -3.8463000000e-03 -3.6591000000e-03  4.9938000000e-03  1.8987000000e-03  2.3018000000e-03 -1.7608000000e-03 -5.3486000000e-03  1.6402000000e-03 -1.3961700000e-02  1.2308100000e-02  4.2027000000e-03 -1.4203000000e-03  1.6344000000e-03 -2.0293000000e-03  7.4439000000e-03 -6.6463000000e-03 -2.4564000000e-03
+
+JOB 2
+COORDS -2.4112800000e-01  1.2332660000e+00  2.3556000000e-01 -1.0607090000e+00  1.7258770000e+00  1.9250600000e-01  3.7711500000e-01  1.7504210000e+00 -2.8073400000e-01  2.4890000000e-01 -1.3340650000e+00 -2.5515100000e-01  5.1731100000e-01 -1.4968960000e+00  6.4910100000e-01  1.4297000000e-02 -4.0622100000e-01 -2.7247300000e-01
+ENERGY -1.526592805332e+02
+FORCES -2.8510000000e-04 -4.4531000000e-03 -2.0217000000e-03  5.1509000000e-03 -1.7223000000e-03 -1.7300000000e-04 -4.2601000000e-03 -4.0432000000e-03  2.0962000000e-03 -3.9134000000e-03  1.6688300000e-02  6.7330000000e-03 -3.0920000000e-04 -2.8390000000e-04 -2.2073000000e-03  3.6169000000e-03 -6.1857000000e-03 -4.4272000000e-03
+
+JOB 3
+COORDS -5.7703300000e-01 -7.5619700000e-01 -8.5142900000e-01 -1.1253860000e+00 -6.2870200000e-01 -1.6255640000e+00 -4.0903000000e-02 -1.5211250000e+00 -1.0604330000e+00  5.7422400000e-01  8.6237500000e-01  9.2109000000e-01  1.1753770000e+00  2.4306300000e-01  1.3349740000e+00  3.4984000000e-02  3.2320800000e-01  3.4251400000e-01
+ENERGY -1.526584831959e+02
+FORCES  4.7223000000e-03  5.0849000000e-03  2.7990000000e-03  3.3735000000e-03 -2.2603000000e-03  3.0794000000e-03 -3.1575000000e-03  3.6291000000e-03  5.6860000000e-04 -6.6587000000e-03 -1.1124900000e-02 -1.0401000000e-02 -1.6101000000e-03  7.1570000000e-04 -2.0723000000e-03  3.3304000000e-03  3.9555000000e-03  6.0264000000e-03
+
+JOB 4
+COORDS -1.0232700000e+00 -7.5399600000e-01 -5.5797900000e-01 -5.5179400000e-01 -1.0709470000e+00 -1.3283580000e+00 -3.5341700000e-01 -3.2299200000e-01 -2.7165000000e-02  9.5892900000e-01  6.8951000000e-01  5.3199900000e-01  8.7514800000e-01  1.6023390000e+00  2.5640000000e-01  1.0284250000e+00  7.3218100000e-01  1.4857190000e+00
+ENERGY -1.526601397026e+02
+FORCES  1.4649300000e-02  7.7935000000e-03  5.3174000000e-03 -1.2061000000e-03  1.3355000000e-03  1.7131000000e-03 -7.6779000000e-03 -5.0712000000e-03 -1.8988000000e-03 -5.1708000000e-03  6.0750000000e-04 -2.0693000000e-03  9.9640000000e-04 -4.7273000000e-03  2.4361000000e-03 -1.5910000000e-03  6.2000000000e-05 -5.4985000000e-03
+
+JOB 5
+COORDS  4.3943800000e-01 -1.2500670000e+00 -3.2446500000e-01  1.4687000000e-01 -3.4083000000e-01 -3.8711200000e-01  8.2662600000e-01 -1.4370500000e+00 -1.1796580000e+00 -4.1484800000e-01  1.1652710000e+00  4.0669300000e-01 -1.3187070000e+00  1.4521960000e+00  5.3686300000e-01 -8.1758000000e-02  1.7302450000e+00 -2.9050700000e-01
+ENERGY -1.526562390808e+02
+FORCES -5.1003000000e-03  1.1631200000e-02  4.1138000000e-03  5.4850000000e-03 -5.1100000000e-03 -7.3411000000e-03 -1.9291000000e-03  3.7983000000e-03  2.7465000000e-03 -2.0108000000e-03 -2.4727000000e-03 -2.9340000000e-04  5.2189000000e-03 -3.7700000000e-04 -9.8360000000e-04 -1.6637000000e-03 -7.4696000000e-03  1.7579000000e-03
+
+JOB 6
+COORDS  7.2530900000e-01  6.6221100000e-01 -8.4099300000e-01  8.0135000000e-01  7.5326600000e-01 -1.7908130000e+00  1.6165350000e+00  7.8904900000e-01 -5.1563100000e-01 -7.8578700000e-01 -6.4337700000e-01  9.3136400000e-01 -1.1109780000e+00 -1.5132510000e+00  6.9941500000e-01 -2.9239200000e-01 -3.5863400000e-01  1.6213400000e-01
+ENERGY -1.526599807478e+02
+FORCES -9.5080000000e-04 -2.1126000000e-03  3.3840000000e-03  8.2220000000e-04 -4.5230000000e-04  4.8684000000e-03 -4.2931000000e-03 -5.7160000000e-04 -3.2532000000e-03  7.0558000000e-03  5.6732000000e-03 -1.0482100000e-02  1.7927000000e-03  3.0885000000e-03 -1.1204000000e-03 -4.4268000000e-03 -5.6252000000e-03  6.6033000000e-03
+
+JOB 7
+COORDS  4.6289800000e-01 -1.2305060000e+00  2.7370000000e-03  1.4023210000e+00 -1.2097110000e+00  1.8517700000e-01  3.9455400000e-01 -1.6453420000e+00 -8.5718900000e-01 -5.7209900000e-01  1.2773140000e+00  5.9033000000e-02  1.7202700000e-01  1.7626660000e+00 -2.9725700000e-01 -3.2397000000e-01  3.5726100000e-01 -3.1330000000e-02
+ENERGY -1.526592402125e+02
+FORCES  2.0114000000e-03  3.8110000000e-03 -4.7020000000e-04 -4.7899000000e-03 -1.3470000000e-04 -2.3703000000e-03  7.8800000000e-04  3.8471000000e-03  4.4782000000e-03  7.9395000000e-03 -1.4255900000e-02 -8.2890000000e-04 -1.3709000000e-03 -1.9275000000e-03  1.0097000000e-03 -4.5780000000e-03  8.6600000000e-03 -1.8184000000e-03
+
+JOB 8
+COORDS  7.5448000000e-01 -9.5559900000e-01 -5.4994400000e-01 -1.5828000000e-02 -1.2194450000e+00 -1.0531760000e+00  9.5449200000e-01 -1.7143860000e+00 -1.7920000000e-03 -7.5047900000e-01  1.0026640000e+00  6.0331500000e-01 -6.7628700000e-01  1.8574290000e+00  1.7892800000e-01 -2.8628800000e-01  4.0341600000e-01  1.8799000000e-02
+ENERGY -1.526578860866e+02
+FORCES -2.2555000000e-03 -1.9007000000e-03  5.6253000000e-03  2.6900000000e-03  5.9554000000e-03  5.3140000000e-03 -1.1339000000e-03  2.7400000000e-03 -4.2139000000e-03  1.0077700000e-02 -7.3446000000e-03 -5.1076000000e-03  5.3450000000e-04 -3.7819000000e-03  1.0230000000e-04 -9.9128000000e-03  4.3319000000e-03 -1.7201000000e-03
+
+JOB 9
+COORDS -1.9362700000e-01  6.1337900000e-01 -1.1508340000e+00  3.3751300000e-01  4.8019000000e-02 -1.7116290000e+00 -1.0094080000e+00  7.3508700000e-01 -1.6365500000e+00  1.7986800000e-01 -6.2794800000e-01  1.2597800000e+00 -1.8731100000e-01 -2.6677800000e-01  4.5295400000e-01  1.0784310000e+00 -2.9888300000e-01  1.2828720000e+00
+ENERGY -1.526597773430e+02
+FORCES  3.2610000000e-04 -2.7449000000e-03 -3.3080000000e-04 -3.1682000000e-03  2.8366000000e-03  3.8360000000e-03  4.5077000000e-03 -1.6501000000e-03  2.5287000000e-03 -4.9790000000e-04  9.6516000000e-03 -1.2429200000e-02  5.6210000000e-04 -6.2237000000e-03  6.6274000000e-03 -1.7297000000e-03 -1.8695000000e-03 -2.3220000000e-04
+
+JOB 10
+COORDS  1.1389960000e+00  4.8171000000e-01 -5.0837300000e-01  1.4227670000e+00  5.3274800000e-01  4.0437000000e-01  1.3951210000e+00  1.3228360000e+00 -8.8671100000e-01 -1.1873660000e+00 -5.9266500000e-01  4.4420400000e-01 -4.0247700000e-01 -5.6952000000e-02  3.2934600000e-01 -1.7234450000e+00 -1.0240800000e-01  1.0675010000e+00
+ENERGY -1.526554883724e+02
+FORCES -1.5620000000e-04  2.1422000000e-03 -2.5580000000e-04 -8.3764000000e-03 -6.0560000000e-04 -4.4154000000e-03 -5.4540000000e-04 -4.4082000000e-03  2.6446000000e-03  7.6476000000e-03  6.1782000000e-03 -5.4438000000e-03 -2.1979000000e-03 -2.9003000000e-03  9.8564000000e-03  3.6283000000e-03 -4.0630000000e-04 -2.3860000000e-03
+
+JOB 11
+COORDS  1.8208300000e-01 -4.5852700000e-01 -1.3090500000e+00  2.9139300000e-01 -2.8510500000e-01 -3.7405900000e-01  4.0794900000e-01 -1.3832430000e+00 -1.4096270000e+00 -1.9064300000e-01  4.7586300000e-01  1.2033860000e+00 -5.5257400000e-01  3.1463000000e-02  1.9700320000e+00 -2.2920000000e-02  1.3699560000e+00  1.5012070000e+00
+ENERGY -1.526594565751e+02
+FORCES -1.1889000000e-03  2.9930000000e-03  1.1759600000e-02  2.5755000000e-03 -4.0682000000e-03 -7.9467000000e-03 -1.1422000000e-03  2.7783000000e-03  2.1971000000e-03 -7.3700000000e-04  1.3720000000e-04 -2.9908000000e-03  2.0267000000e-03  2.8453000000e-03 -3.1002000000e-03 -1.5340000000e-03 -4.6855000000e-03  8.0900000000e-05
+
+JOB 12
+COORDS -2.9119700000e-01 -1.0279140000e+00  7.9522600000e-01 -1.1956260000e+00 -1.3357210000e+00  7.3609800000e-01  2.3530500000e-01 -1.8272750000e+00  7.8813000000e-01  2.9201500000e-01  1.1406330000e+00 -8.2854000000e-01 -2.7012700000e-01  4.4868400000e-01 -4.8006700000e-01  1.1681210000e+00  9.2017600000e-01 -5.1220300000e-01
+ENERGY -1.526575290549e+02
+FORCES  1.4443000000e-03 -1.5010000000e-03 -1.9691000000e-03  5.0879000000e-03  2.9251000000e-03 -1.6532000000e-03 -2.7542000000e-03  3.9802000000e-03  4.9060000000e-04  5.8210000000e-04 -1.1946700000e-02  1.0292500000e-02 -3.8975000000e-03  4.7195000000e-03 -4.8962000000e-03 -4.6240000000e-04  1.8228000000e-03 -2.2646000000e-03
+
+JOB 13
+COORDS -5.2282800000e-01  3.7281800000e-01 -1.1863400000e+00 -1.2223780000e+00  1.0247390000e+00 -1.2294740000e+00 -9.6009100000e-01 -4.6037500000e-01 -1.3619070000e+00  5.9039400000e-01 -4.3354800000e-01  1.2208550000e+00  5.8044600000e-01 -6.6513000000e-02  3.3687600000e-01  5.4095200000e-01  3.2866800000e-01  1.7977550000e+00
+ENERGY -1.526592948569e+02
+FORCES -4.3028000000e-03 -2.3368000000e-03  4.9048000000e-03  2.5436000000e-03 -3.3333000000e-03 -1.6040000000e-04  2.1763000000e-03  4.6107000000e-03  2.8060000000e-04 -4.6479000000e-03  7.5191000000e-03 -9.5531000000e-03  4.4677000000e-03 -4.4552000000e-03  6.3218000000e-03 -2.3690000000e-04 -2.0045000000e-03 -1.7938000000e-03
+
+JOB 14
+COORDS -1.0344350000e+00 -7.9668300000e-01  3.5869500000e-01 -1.8088770000e+00 -2.4954300000e-01  4.8949500000e-01 -1.2160220000e+00 -1.2810140000e+00 -4.4671200000e-01  1.0879530000e+00  8.3828900000e-01 -3.5813700000e-01  1.8713340000e+00  5.8864900000e-01  1.3199200000e-01  4.2071800000e-01  2.1089100000e-01 -7.9926000000e-02
+ENERGY -1.526617398357e+02
+FORCES -2.4911000000e-03  2.5185000000e-03 -2.5124000000e-03  3.8849000000e-03 -3.3820000000e-03 -1.4316000000e-03  1.6184000000e-03  3.7067000000e-03  4.1493000000e-03 -8.4700000000e-03 -8.6212000000e-03  5.7737000000e-03 -2.9296000000e-03 -1.1690000000e-04 -1.1360000000e-03  8.3874000000e-03  5.8949000000e-03 -4.8430000000e-03
+
+JOB 15
+COORDS -5.3113700000e-01  8.2998900000e-01 -9.4826100000e-01 -1.4744970000e+00  9.7401400000e-01 -8.7369800000e-01 -4.5024900000e-01  4.6201000000e-02 -1.4917360000e+00  5.9242100000e-01 -8.6222600000e-01  9.6484200000e-01  1.0070710000e+00 -3.4345700000e-01  1.6541710000e+00  5.7561000000e-02 -2.3352500000e-01  4.8018600000e-01
+ENERGY -1.526603484711e+02
+FORCES -1.2548000000e-03 -2.5686000000e-03 -3.5834000000e-03  5.4265000000e-03 -1.9113000000e-03  8.4770000000e-04 -1.0586000000e-03  3.8721000000e-03  5.9921000000e-03 -3.5147000000e-03  1.1002900000e-02 -5.6583000000e-03 -1.7572000000e-03 -1.0892000000e-03 -2.0792000000e-03  2.1589000000e-03 -9.3059000000e-03  4.4810000000e-03
+
+JOB 16
+COORDS -1.2804380000e+00  6.4096000000e-01  1.9437200000e-01 -9.4167400000e-01  1.2656530000e+00 -4.4690000000e-01 -6.3112700000e-01 -6.2148000000e-02  2.1067100000e-01  1.2381040000e+00 -5.7405000000e-01 -1.7071300000e-01  1.4100640000e+00 -1.0259000000e+00  6.5541900000e-01  8.5100600000e-01 -1.2437720000e+00 -7.3450300000e-01
+ENERGY -1.526567148359e+02
+FORCES  1.4635800000e-02 -1.7361000000e-03 -3.3583000000e-03 -3.0863000000e-03 -9.4400000000e-04  1.1688000000e-03 -7.4662000000e-03 -3.2647000000e-03  1.0180000000e-03  8.1740000000e-04 -2.2931000000e-03  8.7920000000e-04 -3.4506000000e-03  2.6274000000e-03 -4.6186000000e-03 -1.4501000000e-03  5.6105000000e-03  4.9109000000e-03
+
+JOB 17
+COORDS -5.5665100000e-01  1.2949490000e+00  2.4671600000e-01 -6.1637000000e-01  1.8568520000e+00 -5.2589700000e-01 -3.0936900000e-01  4.3724400000e-01 -9.8863000000e-02  4.8846400000e-01 -1.2648150000e+00 -2.0557200000e-01  8.3202500000e-01 -1.1786980000e+00  6.8368700000e-01  1.2284670000e+00 -1.5899830000e+00 -7.1830200000e-01
+ENERGY -1.526610408662e+02
+FORCES  3.1139000000e-03 -8.8439000000e-03 -5.9835000000e-03  6.5750000000e-04 -2.3439000000e-03  1.7869000000e-03 -2.7691000000e-03  8.4898000000e-03  5.2073000000e-03  4.2156000000e-03  9.9170000000e-04  1.6528000000e-03 -2.2049000000e-03  5.6310000000e-04 -5.8840000000e-03 -3.0130000000e-03  1.1432000000e-03  3.2205000000e-03
+
+JOB 18
+COORDS  4.0197300000e-01 -4.9824000000e-02  1.2971630000e+00 -9.2933000000e-02  6.7322200000e-01  1.6825260000e+00  9.8899900000e-01 -3.3821900000e-01  1.9960630000e+00 -3.7869600000e-01  9.9300000000e-03 -1.4183810000e+00 -1.2545400000e+00  3.7175300000e-01 -1.2834220000e+00 -1.5484000000e-02 -7.4573000000e-02 -5.3681000000e-01
+ENERGY -1.526599334054e+02
+FORCES  1.0985000000e-03  5.1000000000e-04  9.3940000000e-04  2.1326000000e-03 -3.9011000000e-03 -2.2759000000e-03 -3.5607000000e-03  2.5736000000e-03 -1.8371000000e-03  1.4868000000e-03 -8.9480000000e-04  1.0710300000e-02  2.7535000000e-03 -3.9520000000e-04  3.7920000000e-04 -3.9108000000e-03  2.1074000000e-03 -7.9159000000e-03
+
+JOB 19
+COORDS -4.2906000000e-01 -1.1026770000e+00 -7.6882900000e-01 -1.3364610000e+00 -8.8713700000e-01 -5.5342700000e-01 -3.1487800000e-01 -7.9064900000e-01 -1.6665100000e+00  4.5264600000e-01  1.1417090000e+00  7.8086800000e-01  4.7397100000e-01  8.1433900000e-01  1.6800930000e+00  7.1313700000e-01  3.9171300000e-01  2.4618800000e-01
+ENERGY -1.526587196378e+02
+FORCES -5.8395000000e-03  5.0741000000e-03 -2.8870000000e-04  3.6390000000e-03 -2.5073000000e-03 -1.8326000000e-03  6.2050000000e-04 -4.7390000000e-04  5.0313000000e-03 -9.7420000000e-04 -1.0519900000e-02 -2.4210000000e-03 -7.4510000000e-04  1.1435000000e-03 -2.9219000000e-03  3.2994000000e-03  7.2835000000e-03  2.4330000000e-03
+
+JOB 20
+COORDS  3.2461900000e-01  1.3292030000e+00 -1.3866600000e-01 -3.8900300000e-01  1.9195210000e+00 -3.8053500000e-01  9.7635200000e-01  1.4446060000e+00 -8.3015600000e-01 -3.1694200000e-01 -1.3983550000e+00  2.6136600000e-01 -3.1451800000e-01 -1.8931230000e+00 -5.5804200000e-01 -3.3535600000e-01 -4.8123800000e-01 -1.2111000000e-02
+ENERGY -1.526596666436e+02
+FORCES  2.4842000000e-03  2.3443000000e-03 -2.1751000000e-03  3.3733000000e-03 -4.7444000000e-03  5.8480000000e-04 -4.2955000000e-03 -5.2500000000e-04  2.9187000000e-03  2.4466000000e-03  1.0088900000e-02 -3.2395000000e-03  5.1350000000e-04  2.7447000000e-03  2.0658000000e-03 -4.5221000000e-03 -9.9085000000e-03 -1.5470000000e-04
+
+JOB 21
+COORDS  1.2388540000e+00  6.3721900000e-01 -2.2695500000e-01  1.8748870000e+00  1.1221900000e-01  2.5891300000e-01  1.0488820000e+00  1.3777160000e+00  3.4907200000e-01 -1.3006320000e+00 -6.9974200000e-01  1.2989300000e-01 -3.6386900000e-01 -5.0305600000e-01  1.3454600000e-01 -1.6903680000e+00 -2.4605000000e-02  6.8534600000e-01
+ENERGY -1.526577729621e+02
+FORCES  2.4691000000e-03  3.6982000000e-03  2.2831000000e-03 -6.1739000000e-03  1.5654000000e-03 -1.9808000000e-03 -3.0950000000e-04 -5.1759000000e-03 -2.1877000000e-03  9.0283000000e-03  7.3651000000e-03 -1.1298000000e-03 -6.6517000000e-03 -5.7777000000e-03  4.4792000000e-03  1.6377000000e-03 -1.6750000000e-03 -1.4640000000e-03
+
+JOB 22
+COORDS  1.2185670000e+00  4.5511100000e-01 -6.7895500000e-01  1.2425630000e+00  1.3991860000e+00 -8.3509100000e-01  4.2686100000e-01  3.1794600000e-01 -1.5874300000e-01 -1.1743100000e+00 -4.4275500000e-01  6.1725000000e-01 -1.4651650000e+00 -1.3213500000e+00  3.7290200000e-01 -9.2132800000e-01 -5.2086900000e-01  1.5371040000e+00
+ENERGY -1.526613495104e+02
+FORCES -9.6015000000e-03 -8.1430000000e-04  3.3652000000e-03 -9.0380000000e-04 -3.0129000000e-03  1.2352000000e-03  1.0078300000e-02  4.3124000000e-03 -1.9390000000e-03 -3.2550000000e-04 -5.4635000000e-03  2.4530000000e-04  7.5880000000e-04  4.0831000000e-03  2.6714000000e-03 -6.3000000000e-06  8.9510000000e-04 -5.5781000000e-03
+
+JOB 23
+COORDS  1.0573860000e+00  9.0082700000e-01  2.2363200000e-01  1.6782090000e+00  4.6771200000e-01 -3.6221900000e-01  1.4421350000e+00  8.0435400000e-01  1.0947770000e+00 -1.1294150000e+00 -8.6002400000e-01 -3.0414400000e-01 -6.0341500000e-01 -2.9189900000e-01  2.5869600000e-01 -1.5157460000e+00 -1.4994930000e+00  2.9423700000e-01
+ENERGY -1.526594233720e+02
+FORCES  5.1318000000e-03 -2.3690000000e-03 -2.8363000000e-03 -2.0923000000e-03  2.6865000000e-03  4.0081000000e-03 -3.7447000000e-03 -1.2023000000e-03 -4.0678000000e-03  5.1800000000e-03  5.4948000000e-03  3.6342000000e-03 -7.2668000000e-03 -7.6051000000e-03  3.2620000000e-04  2.7921000000e-03  2.9950000000e-03 -1.0643000000e-03
+
+JOB 24
+COORDS -1.1238310000e+00 -2.6651000000e-02 -9.4552500000e-01 -3.0971500000e-01  1.2678500000e-01 -4.6604200000e-01 -9.5658400000e-01  3.2336800000e-01 -1.8205940000e+00  1.0279430000e+00 -1.7029000000e-02  9.1942900000e-01  1.9749730000e+00  1.1829600000e-01  8.8697400000e-01  7.9546400000e-01  1.3218800000e-01  1.8359000000e+00
+ENERGY -1.526610985631e+02
+FORCES  8.3401000000e-03  8.7370000000e-04  4.2186000000e-03 -7.6396000000e-03  7.6730000000e-04 -6.8923000000e-03  6.6040000000e-04 -9.9990000000e-04  3.0890000000e-03  3.8530000000e-04  3.1880000000e-04  2.7663000000e-03 -4.4149000000e-03 -3.8500000000e-04  8.9770000000e-04  2.6687000000e-03 -5.7490000000e-04 -4.0793000000e-03
+
+JOB 25
+COORDS  1.2091500000e+00 -3.2720500000e-01 -6.5006900000e-01  1.1035210000e+00 -1.2589190000e+00 -4.5776300000e-01  1.2745900000e+00 -2.8498300000e-01 -1.6040950000e+00 -1.2307580000e+00  3.7073200000e-01  7.6443800000e-01 -4.3571100000e-01  3.4846000000e-02  3.5053900000e-01 -1.6517840000e+00  8.9631000000e-01  8.4191000000e-02
+ENERGY -1.526594155619e+02
+FORCES  9.7550000000e-04 -2.3315000000e-03 -4.2525000000e-03 -2.3345000000e-03  6.6161000000e-03 -1.6690000000e-04 -3.1220000000e-04 -7.0870000000e-04  4.7815000000e-03  8.5756000000e-03  1.0502000000e-03 -7.9578000000e-03 -7.5955000000e-03 -3.0302000000e-03  5.6494000000e-03  6.9110000000e-04 -1.5958000000e-03  1.9463000000e-03
+
+JOB 26
+COORDS  8.0697300000e-01 -6.3899000000e-01  1.0695040000e+00  4.9307300000e-01 -1.5422010000e+00  1.1131960000e+00  4.9140500000e-01 -3.1581000000e-01  2.2558300000e-01 -7.2072700000e-01  6.3155400000e-01 -1.0476910000e+00 -8.7414000000e-01  1.5572280000e+00 -1.2369660000e+00 -1.4173830000e+00  3.9297900000e-01 -4.3614800000e-01
+ENERGY -1.526601177624e+02
+FORCES -2.3114000000e-03  1.5454000000e-03 -8.0681000000e-03 -3.7540000000e-04  3.7611000000e-03 -5.7410000000e-04  9.8020000000e-04 -5.5678000000e-03  8.3395000000e-03 -2.8769000000e-03  4.7678000000e-03  2.2237000000e-03 -6.9670000000e-04 -4.4132000000e-03  8.8520000000e-04  5.2801000000e-03 -9.3300000000e-05 -2.8062000000e-03
+
+JOB 27
+COORDS  6.4127900000e-01  3.2941800000e-01 -1.2306890000e+00  1.4322390000e+00 -1.0778000000e-01 -9.1529500000e-01  8.8666800000e-01  1.2523900000e+00 -1.2950120000e+00 -7.2709800000e-01 -4.1918700000e-01  1.2426900000e+00 -4.0551900000e-01 -2.6370000000e-01  3.5463500000e-01 -6.7175700000e-01  4.3506300000e-01  1.6709710000e+00
+ENERGY -1.526603325689e+02
+FORCES  4.7390000000e-03  2.8354000000e-03  1.3370000000e-04 -5.5888000000e-03  2.6408000000e-03 -2.8090000000e-04 -7.4270000000e-04 -4.6794000000e-03  9.3740000000e-04  3.1708000000e-03  6.1469000000e-03 -8.6218000000e-03 -1.7714000000e-03 -4.4749000000e-03  8.8577000000e-03  1.9310000000e-04 -2.4687000000e-03 -1.0261000000e-03
+
+JOB 28
+COORDS -6.6793700000e-01 -7.7886700000e-01 -1.0565900000e+00 -1.4936000000e-02 -2.2650500000e-01 -6.2680200000e-01 -1.8461100000e-01 -1.2250830000e+00 -1.7519450000e+00  5.9189400000e-01  7.8952000000e-01  1.0096680000e+00  4.3968000000e-02  1.0868250000e+00  1.7360420000e+00  1.2425820000e+00  2.1845700000e-01  1.4179880000e+00
+ENERGY -1.526601691840e+02
+FORCES  4.6921000000e-03  5.1530000000e-03  4.1599000000e-03 -1.9116000000e-03 -6.8582000000e-03 -7.7406000000e-03 -3.5560000000e-04  1.9444000000e-03  3.4963000000e-03 -3.2047000000e-03 -1.4340000000e-03  5.0377000000e-03  3.9513000000e-03 -1.1251000000e-03 -2.0614000000e-03 -3.1715000000e-03  2.3199000000e-03 -2.8919000000e-03
+
+JOB 29
+COORDS -4.9621400000e-01 -1.3064280000e+00  3.1850200000e-01 -8.4508100000e-01 -1.4715450000e+00 -5.5743200000e-01 -1.2699510000e+00 -1.1457020000e+00  8.5862200000e-01  6.2376100000e-01  1.3135900000e+00 -3.2657900000e-01  2.6104200000e-01  5.4876900000e-01  1.2031600000e-01 -7.7897000000e-02  1.9639990000e+00 -2.9698400000e-01
+ENERGY -1.526599403816e+02
+FORCES -4.2284000000e-03 -2.8102000000e-03 -3.4281000000e-03  1.0035000000e-03  1.2857000000e-03  5.2376000000e-03  4.5443000000e-03  1.5933000000e-03 -3.4052000000e-03 -4.6964000000e-03 -7.4003000000e-03  3.6053000000e-03  1.8660000000e-03  1.0521500000e-02 -2.0660000000e-03  1.5110000000e-03 -3.1901000000e-03  5.6300000000e-05
+
+JOB 30
+COORDS  1.0048580000e+00 -1.0332600000e+00 -4.4110800000e-01  1.4716630000e+00 -2.1405800000e-01 -6.0612900000e-01  8.3733000000e-02 -8.1839000000e-01 -5.8804500000e-01 -9.1478300000e-01  9.8885900000e-01  4.7712100000e-01 -1.5428510000e+00  1.4238980000e+00 -9.9511000000e-02 -1.3725760000e+00  2.0607000000e-01  7.8355200000e-01
+ENERGY -1.526553597780e+02
+FORCES -4.3580000000e-03  1.1173700000e-02  1.3033000000e-03  9.5620000000e-04 -4.1475000000e-03 -8.9860000000e-04  5.5100000000e-05 -5.2716000000e-03  9.0000000000e-05 -3.5520000000e-03 -1.2073000000e-03  2.3237000000e-03  4.0493000000e-03 -3.2633000000e-03  1.7016000000e-03  2.8495000000e-03  2.7160000000e-03 -4.5200000000e-03
+
+JOB 31
+COORDS  1.2846600000e+00 -4.7671800000e-01  2.8481100000e-01  1.3971500000e+00 -1.3807650000e+00  5.7854100000e-01  1.8923540000e+00  2.8478000000e-02  8.2492000000e-01 -1.3799500000e+00  4.8031000000e-01 -2.8906500000e-01 -4.5725700000e-01  2.2949100000e-01 -2.4479500000e-01 -1.4395390000e+00  1.0403530000e+00 -1.0630380000e+00
+ENERGY -1.526619365497e+02
+FORCES  9.0790000000e-04 -1.6311000000e-03  3.8834000000e-03  7.5460000000e-04  4.5872000000e-03 -7.9410000000e-04 -2.2616000000e-03 -3.1529000000e-03 -2.4514000000e-03  8.9808000000e-03 -2.0424000000e-03 -3.1860000000e-04 -9.5605000000e-03  3.9346000000e-03 -2.8710000000e-03  1.1788000000e-03 -1.6953000000e-03  2.5518000000e-03
+
+JOB 32
+COORDS  6.3696000000e-02 -1.1715480000e+00  9.4327400000e-01 -3.2476000000e-01 -1.8263820000e+00  3.6316500000e-01  1.5600000000e-01 -3.9123600000e-01  3.9662500000e-01 -2.4315000000e-02  1.1047010000e+00 -8.8027600000e-01  4.8289900000e-01  1.9090260000e+00 -7.7060300000e-01 -9.3549800000e-01  1.3969510000e+00 -9.0411500000e-01
+ENERGY -1.526617232950e+02
+FORCES -1.8230000000e-04  6.0981000000e-03 -8.7748000000e-03  5.3710000000e-04  2.0025000000e-03  1.8829000000e-03 -2.0090000000e-04 -7.5285000000e-03  6.9953000000e-03 -1.7621000000e-03  4.4047000000e-03  2.9480000000e-04 -3.2362000000e-03 -3.6370000000e-03 -4.7780000000e-04  4.8445000000e-03 -1.3398000000e-03  7.9500000000e-05
+
+JOB 33
+COORDS -2.6625500000e-01 -1.4472640000e+00  3.4524500000e-01  5.8185400000e-01 -1.8429160000e+00  1.4424300000e-01 -5.0540000000e-02 -5.8615200000e-01  7.0327600000e-01  2.3811800000e-01  1.4416560000e+00 -2.9918600000e-01  5.5423500000e-01  1.2509040000e+00 -1.1823150000e+00 -7.0105700000e-01  1.2604950000e+00 -3.3612000000e-01
+ENERGY -1.526582789022e+02
+FORCES  6.8706000000e-03  5.9794000000e-03  3.2810000000e-04 -3.1487000000e-03  9.7800000000e-04  1.8260000000e-04 -4.7893000000e-03 -5.5714000000e-03 -7.5000000000e-05 -3.3054000000e-03 -2.8446000000e-03 -6.9048000000e-03 -7.5820000000e-04  1.4833000000e-03  3.8775000000e-03  5.1311000000e-03 -2.4600000000e-05  2.5915000000e-03
+
+JOB 34
+COORDS  3.0728400000e-01  1.2759820000e+00  5.9760200000e-01  8.0565200000e-01  1.8679840000e+00  3.4224000000e-02 -4.7752300000e-01  1.7714490000e+00  8.3174500000e-01 -3.1584400000e-01 -1.3658470000e+00 -6.3560000000e-01 -2.4543400000e-01 -1.6896630000e+00  2.6240700000e-01  4.9209000000e-02 -4.8166100000e-01 -6.0119700000e-01
+ENERGY -1.526598863458e+02
+FORCES -2.6732000000e-03  4.7975000000e-03  6.7800000000e-04 -3.1199000000e-03 -4.1470000000e-03  1.6388000000e-03  4.3510000000e-03 -1.7620000000e-03 -1.0147000000e-03  2.9325000000e-03  7.8026000000e-03  7.5356000000e-03 -1.0131000000e-03 -7.5570000000e-04 -2.9619000000e-03 -4.7730000000e-04 -5.9353000000e-03 -5.8758000000e-03
+
+JOB 35
+COORDS  1.0609200000e-01  1.1363200000e+00  9.2384400000e-01  9.3174800000e-01  8.1896800000e-01  1.2896470000e+00  3.6112100000e-01  1.8506540000e+00  3.3996100000e-01 -1.7617000000e-01 -1.1714030000e+00 -9.7933200000e-01 -3.2835100000e-01 -1.8281710000e+00 -2.9982600000e-01  2.6909000000e-02 -3.6983600000e-01 -4.9716900000e-01
+ENERGY -1.526595042264e+02
+FORCES  3.5779000000e-03  4.7238000000e-03  2.0957000000e-03 -4.9095000000e-03 -5.7600000000e-05 -3.7777000000e-03 -1.0395000000e-03 -5.5028000000e-03  2.1171000000e-03 -1.6479000000e-03  5.5770000000e-03  8.8104000000e-03  1.2093000000e-03  1.5442000000e-03 -2.2735000000e-03  2.8097000000e-03 -6.2846000000e-03 -6.9721000000e-03
+
+JOB 36
+COORDS  2.4943900000e-01  1.0464080000e+00 -9.6385400000e-01  1.1802610000e+00  1.1654740000e+00 -7.7510500000e-01 -6.8229000000e-02  1.9257430000e+00 -1.1690080000e+00 -3.0496900000e-01 -1.1285170000e+00  1.0240810000e+00 -5.0838900000e-01 -2.5844900000e-01  6.8081200000e-01  2.5321300000e-01 -1.5257690000e+00  3.5560800000e-01
+ENERGY -1.526596454578e+02
+FORCES  3.3280000000e-03  4.1345000000e-03 -1.1516000000e-03 -4.7418000000e-03 -8.9970000000e-04 -9.9060000000e-04  1.7427000000e-03 -4.0769000000e-03  1.5500000000e-03  1.3499000000e-03  5.5196000000e-03 -8.7811000000e-03 -1.1930000000e-03 -4.5416000000e-03  6.1201000000e-03 -4.8590000000e-04 -1.3580000000e-04  3.2532000000e-03
+
+JOB 37
+COORDS -3.2634200000e-01 -1.3103950000e+00  5.1112300000e-01 -6.8113500000e-01 -2.0602680000e+00  3.3583000000e-02 -8.3668300000e-01 -1.2778840000e+00  1.3202750000e+00  4.0824400000e-01  1.4044270000e+00 -5.2988400000e-01 -4.5789000000e-01  1.3127430000e+00 -9.2691900000e-01  5.9050200000e-01  5.4477700000e-01 -1.5038900000e-01
+ENERGY -1.526601283639e+02
+FORCES -3.3060000000e-03 -2.6804000000e-03  1.3813000000e-03  7.4350000000e-04  3.5788000000e-03  2.6168000000e-03  1.9669000000e-03 -6.8130000000e-04 -4.1959000000e-03 -4.4616000000e-03 -9.3341000000e-03  1.6198000000e-03  2.1847000000e-03  2.0291000000e-03  2.4720000000e-04  2.8725000000e-03  7.0880000000e-03 -1.6692000000e-03
+
+JOB 38
+COORDS -3.8346000000e-02 -9.7334400000e-01 -1.1552280000e+00 -4.5320000000e-02 -5.4250000000e-02 -8.8792600000e-01 -6.3003200000e-01 -1.0091900000e+00 -1.9067970000e+00  1.0049900000e-01  8.8312600000e-01  1.1297420000e+00 -6.8924600000e-01  6.7580600000e-01  1.6292950000e+00  4.3808600000e-01  1.6818580000e+00  1.5350730000e+00
+ENERGY -1.526589063970e+02
+FORCES -2.5070000000e-04  5.7806000000e-03  1.8197000000e-03 -1.5729000000e-03 -5.7038000000e-03 -6.7183000000e-03  1.7655000000e-03  7.9120000000e-04  3.4502000000e-03 -1.5695000000e-03  5.6570000000e-04  5.2705000000e-03  3.4949000000e-03  2.2928000000e-03 -2.1810000000e-03 -1.8673000000e-03 -3.7264000000e-03 -1.6412000000e-03
+
+JOB 39
+COORDS -6.7774800000e-01  7.9008500000e-01 -1.0056940000e+00 -2.7034000000e-01  6.1706100000e-01 -1.8544070000e+00 -1.5383350000e+00  1.1493870000e+00 -1.2213890000e+00  7.0047800000e-01 -7.7892500000e-01  1.1321040000e+00  4.4174900000e-01 -2.9223200000e-01  3.4953100000e-01  1.0106830000e+00 -1.6211020000e+00  7.9932400000e-01
+ENERGY -1.526594349377e+02
+FORCES -4.6627000000e-03  1.8032000000e-03 -2.3218000000e-03 -1.4245000000e-03 -3.4510000000e-04  4.9473000000e-03  4.1913000000e-03 -1.2156000000e-03 -9.5220000000e-04 -3.6904000000e-03  2.1311000000e-03 -6.3473000000e-03  6.6787000000e-03 -5.4713000000e-03  4.3625000000e-03 -1.0923000000e-03  3.0978000000e-03  3.1160000000e-04
+
+JOB 40
+COORDS  1.5421000000e-01  1.3457510000e+00 -6.7731300000e-01 -4.5686900000e-01  6.2176300000e-01 -5.4073000000e-01 -3.7228800000e-01  2.0292130000e+00 -1.0919350000e+00 -1.4872000000e-01 -1.3160110000e+00  6.8008900000e-01  5.8961200000e-01 -9.2087100000e-01  1.1437280000e+00  1.6538700000e-01 -2.1829750000e+00  4.2329700000e-01
+ENERGY -1.526604701899e+02
+FORCES -4.4446000000e-03 -3.3457000000e-03 -4.6400000000e-05  2.1311000000e-03  8.1982000000e-03 -2.4454000000e-03  1.3297000000e-03 -3.2930000000e-03  1.4867000000e-03  5.9151000000e-03 -2.0669000000e-03  1.3368000000e-03 -3.9232000000e-03 -3.0297000000e-03 -1.8571000000e-03 -1.0081000000e-03  3.5370000000e-03  1.5254000000e-03
+
+JOB 41
+COORDS -1.2749500000e+00 -7.4118800000e-01 -5.3245400000e-01 -1.7237750000e+00  8.6840000000e-02 -3.6169700000e-01 -3.8655200000e-01 -4.8581400000e-01 -7.8098000000e-01  1.2485200000e+00  6.1748500000e-01  5.1482000000e-01  6.6635800000e-01  1.3386630000e+00  2.7561200000e-01  1.8454300000e+00  9.9508500000e-01  1.1608450000e+00
+ENERGY -1.526543528876e+02
+FORCES  5.2096000000e-03  3.5192000000e-03  2.2373000000e-03  2.2508000000e-03 -2.1364000000e-03 -7.4450000000e-04 -6.2190000000e-03  7.3150000000e-04 -1.7018000000e-03  6.7450000000e-04  3.6350000000e-03  3.7013000000e-03  1.2520000000e-03 -4.6259000000e-03 -8.6300000000e-04 -3.1678000000e-03 -1.1235000000e-03 -2.6293000000e-03
+
+JOB 42
+COORDS -7.8449900000e-01  8.3184300000e-01 -9.4108100000e-01 -2.6517200000e-01  1.6153690000e+00 -1.1216840000e+00 -1.6423750000e+00  1.1672720000e+00 -6.8075800000e-01  8.7014200000e-01 -9.0038700000e-01  9.3957200000e-01  3.0345900000e-01 -6.3473100000e-01  2.1532800000e-01  2.6759400000e-01 -1.0891770000e+00  1.6589650000e+00
+ENERGY -1.526604506670e+02
+FORCES -7.3770000000e-04  5.9043000000e-03  6.3300000000e-04 -3.3219000000e-03 -3.2711000000e-03  5.0130000000e-04  3.9806000000e-03 -1.1962000000e-03 -1.0271000000e-03 -7.1509000000e-03  3.4458000000e-03 -3.4098000000e-03  5.4158000000e-03 -5.5422000000e-03  5.4004000000e-03  1.8141000000e-03  6.5950000000e-04 -2.0977000000e-03
+
+JOB 43
+COORDS -6.7294500000e-01  1.9530300000e-01  1.4076500000e+00 -1.6031350000e+00 -1.6189000000e-02  1.3286010000e+00 -3.5866700000e-01  2.3678400000e-01  5.0446600000e-01  6.7170500000e-01 -2.1367700000e-01 -1.3066530000e+00  9.0395900000e-01 -4.6768700000e-01 -2.1998320000e+00  1.1649150000e+00  5.9162300000e-01 -1.1502320000e+00
+ENERGY -1.526586434924e+02
+FORCES -1.3887000000e-03 -3.2498000000e-03 -7.2270000000e-03  2.8940000000e-03  7.9120000000e-04  7.1330000000e-04 -4.5660000000e-04  4.7701000000e-03  6.7556000000e-03  3.5520000000e-03 -5.7900000000e-05 -4.6384000000e-03 -5.1000000000e-06  1.7046000000e-03  3.7821000000e-03 -4.5956000000e-03 -3.9583000000e-03  6.1450000000e-04
+
+JOB 44
+COORDS  7.0682100000e-01 -8.0989900000e-01  1.1999440000e+00 -9.4049000000e-02 -3.1342900000e-01  1.0315500000e+00  1.2108400000e+00 -7.3437000000e-01  3.8970200000e-01 -7.1806100000e-01  7.1145200000e-01 -1.1284470000e+00  1.0239300000e-01  9.3051100000e-01 -1.5701470000e+00 -1.0589650000e+00  1.5526330000e+00 -8.2442200000e-01
+ENERGY -1.526570723179e+02
+FORCES -4.3551000000e-03  3.4590000000e-03 -8.2539000000e-03  2.9134000000e-03 -1.6114000000e-03  5.5487000000e-03  9.3920000000e-04 -4.1440000000e-04  2.7331000000e-03  1.7208000000e-03  5.0792000000e-03 -2.7560000000e-03 -3.1237000000e-03 -1.8458000000e-03  3.0090000000e-03  1.9054000000e-03 -4.6665000000e-03 -2.8090000000e-04
+
+JOB 45
+COORDS  6.6152300000e-01  3.4767600000e-01  1.3780560000e+00 -2.5677600000e-01  1.7758700000e-01  1.1682290000e+00  1.0202990000e+00 -5.1171700000e-01  1.5993140000e+00 -6.1344900000e-01 -3.4761100000e-01 -1.3933620000e+00 -1.4659210000e+00  7.5690000000e-02 -1.4950430000e+00 -4.3804000000e-02  3.3982200000e-01 -1.0481490000e+00
+ENERGY -1.526579486943e+02
+FORCES -2.7840000000e-03 -7.2267000000e-03  3.6930000000e-04  4.1258000000e-03  3.5463000000e-03  1.6640000000e-04 -1.1200000000e-03  3.9665000000e-03 -1.6860000000e-04  1.7823000000e-03  5.0626000000e-03 -5.2840000000e-04  3.6785000000e-03 -1.8153000000e-03  2.2384000000e-03 -5.6825000000e-03 -3.5333000000e-03 -2.0771000000e-03
+
+JOB 46
+COORDS  1.0419220000e+00  1.1685990000e+00  5.8703000000e-02  1.0855600000e+00  1.7531390000e+00  8.1543400000e-01  5.4764200000e-01  4.1011400000e-01  3.6953900000e-01 -9.9699900000e-01 -1.0962680000e+00 -1.4194800000e-01 -6.6309500000e-01 -1.5985990000e+00  6.0129100000e-01 -1.6153880000e+00 -1.6867280000e+00 -5.7227900000e-01
+ENERGY -1.526560434748e+02
+FORCES -4.9946000000e-03 -2.4051000000e-03  1.7416000000e-03 -4.5340000000e-04 -2.7007000000e-03 -2.6289000000e-03  5.9088000000e-03  3.0304000000e-03  3.3703000000e-03 -3.1228000000e-03 -4.9712000000e-03 -1.9974000000e-03  1.3700000000e-04  5.1910000000e-03 -3.1321000000e-03  2.5249000000e-03  1.8557000000e-03  2.6466000000e-03
+
+JOB 47
+COORDS -3.5012900000e-01  1.4751500000e+00  5.6943000000e-01 -7.7664400000e-01  6.5161200000e-01  8.0629000000e-01  5.4685200000e-01  1.2256170000e+00  3.4719000000e-01  2.9730600000e-01 -1.3818960000e+00 -5.1580000000e-01  7.6602600000e-01 -2.2158520000e+00 -5.4821900000e-01  2.5993900000e-01 -1.0920110000e+00 -1.4272830000e+00
+ENERGY -1.526588198114e+02
+FORCES  2.8916000000e-03 -8.5600000000e-03 -7.1100000000e-05 -6.8880000000e-04  5.4293000000e-03  4.4530000000e-04 -2.3621000000e-03  3.8673000000e-03  1.3120000000e-04  1.0681000000e-03 -3.1564000000e-03 -4.6916000000e-03 -1.9206000000e-03  3.9735000000e-03 -2.2660000000e-04  1.0119000000e-03 -1.5537000000e-03  4.4128000000e-03
+
+JOB 48
+COORDS  9.0322000000e-01 -1.1492210000e+00 -6.6613000000e-01  6.2789700000e-01 -4.3997900000e-01 -8.5265000000e-02  2.8942500000e-01 -1.8607240000e+00 -4.8378100000e-01 -7.9321300000e-01  1.1354260000e+00  5.7481900000e-01 -1.7109020000e+00  8.8412600000e-01  4.7029100000e-01 -7.7046000000e-01  1.6242720000e+00  1.3974630000e+00
+ENERGY -1.526598573348e+02
+FORCES -5.4092000000e-03  3.9536000000e-03  4.4199000000e-03  5.0067000000e-03 -7.0486000000e-03 -3.1676000000e-03  1.7066000000e-03  2.1122000000e-03 -8.6930000000e-04 -5.1499000000e-03  2.6181000000e-03  2.1606000000e-03  4.3107000000e-03  9.4910000000e-04  1.3075000000e-03 -4.6480000000e-04 -2.5844000000e-03 -3.8511000000e-03
+
+JOB 49
+COORDS  1.6960100000e-01 -1.5008810000e+00 -4.3924400000e-01 -3.4631500000e-01 -7.0568200000e-01 -3.0612500000e-01 -4.7050800000e-01 -2.1602040000e+00 -7.0717100000e-01 -1.4800100000e-01  1.4588630000e+00  4.9071100000e-01  7.9889900000e-01  1.5622580000e+00  5.8517200000e-01 -3.6001500000e-01  1.9201440000e+00 -3.2077000000e-01
+ENERGY -1.526596949733e+02
+FORCES -4.2782000000e-03  3.5401000000e-03  1.8869000000e-03  1.3278000000e-03 -8.0456000000e-03 -4.5957000000e-03  1.8214000000e-03  3.2049000000e-03  9.4280000000e-04  5.5000000000e-03  4.6440000000e-03 -8.6890000000e-04 -4.8881000000e-03  4.6110000000e-04 -6.8170000000e-04  5.1710000000e-04 -3.8044000000e-03  3.3167000000e-03
+
+JOB 50
+COORDS  5.4739600000e-01  1.3709250000e+00  2.3138000000e-01  1.3587790000e+00  1.8551720000e+00  3.8433000000e-01 -7.5493000000e-02  2.0341380000e+00 -6.5926000000e-02 -5.2795500000e-01 -1.4606530000e+00 -2.8028000000e-01 -2.9143000000e-01 -7.0337800000e-01  2.5527800000e-01 -1.2631010000e+00 -1.8620560000e+00  1.8304300000e-01
+ENERGY -1.526596936742e+02
+FORCES  2.0139000000e-03  5.0286000000e-03 -1.9328000000e-03 -3.9260000000e-03 -1.0650000000e-03 -9.3530000000e-04  2.9772000000e-03 -2.5642000000e-03  2.0142000000e-03  8.4430000000e-04  4.4751000000e-03  3.7804000000e-03 -4.4300000000e-03 -8.0619000000e-03 -1.4049000000e-03  2.5205000000e-03  2.1874000000e-03 -1.5217000000e-03
+
+JOB 51
+COORDS  4.6322200000e-01 -1.5533910000e+00  2.1738400000e-01  1.3757160000e+00 -1.4100780000e+00  4.6847500000e-01  8.4033000000e-02 -6.7532300000e-01  1.7936400000e-01 -4.3435000000e-01  1.4833880000e+00 -2.5636600000e-01 -5.9033600000e-01  2.0277560000e+00  5.1536100000e-01 -1.3016080000e+00  1.1614530000e+00 -5.0223700000e-01
+ENERGY -1.526596719512e+02
+FORCES  2.4327000000e-03  8.1274000000e-03 -3.2460000000e-04 -2.8720000000e-03 -1.2109000000e-03 -3.6330000000e-04 -7.4390000000e-04 -8.8338000000e-03  1.1089000000e-03 -5.0425000000e-03  5.1863000000e-03  7.1800000000e-04  7.5120000000e-04 -3.0705000000e-03 -3.7031000000e-03  5.4744000000e-03 -1.9850000000e-04  2.5641000000e-03
+
+JOB 52
+COORDS  2.2886100000e-01 -1.4631610000e+00  1.0097890000e+00  6.6711400000e-01 -6.1298200000e-01  1.0466910000e+00 -6.9475800000e-01 -1.2638950000e+00  1.1629290000e+00 -2.1201400000e-01  1.4298770000e+00 -1.0787070000e+00 -2.1575600000e-01  1.8450050000e+00 -2.1621900000e-01 -5.7820000000e-03  5.1194800000e-01 -9.0234100000e-01
+ENERGY -1.526542100113e+02
+FORCES -2.0105000000e-03  2.4616000000e-03  3.6883000000e-03 -3.1491000000e-03 -2.9074000000e-03 -2.7057000000e-03  4.8307000000e-03 -3.0780000000e-04 -1.4499000000e-03  6.0800000000e-04 -2.3768000000e-03  2.7230000000e-03  3.2850000000e-04 -2.8987000000e-03 -3.0007000000e-03 -6.0760000000e-04  6.0290000000e-03  7.4500000000e-04
+
+JOB 53
+COORDS  1.3347720000e+00  2.1257600000e-01  1.0028640000e+00  1.2393940000e+00  5.7999100000e-01  1.8815800000e+00  2.2509000000e+00 -6.0669000000e-02  9.5513200000e-01 -1.3683210000e+00 -2.7812600000e-01 -1.0357310000e+00 -8.4306200000e-01  5.0884500000e-01 -8.9077700000e-01 -2.1744280000e+00  4.2512000000e-02 -1.4402250000e+00
+ENERGY -1.526556596954e+02
+FORCES  3.8811000000e-03 -1.1563000000e-03  4.1393000000e-03  5.1440000000e-04 -1.1482000000e-03 -3.8979000000e-03 -3.7521000000e-03  1.4238000000e-03  5.0990000000e-04  9.3800000000e-04  4.5527000000e-03  5.2200000000e-05 -4.8250000000e-03 -2.4186000000e-03 -2.6936000000e-03  3.2435000000e-03 -1.2535000000e-03  1.8902000000e-03
+
+JOB 54
+COORDS  1.2493910000e+00 -1.2389140000e+00 -4.7469900000e-01  8.4896700000e-01 -2.0663400000e+00 -2.0775300000e-01  5.2140400000e-01 -7.1869800000e-01 -8.1476100000e-01 -1.1504950000e+00  1.2702450000e+00  4.2346200000e-01 -7.3185700000e-01  1.0046110000e+00  1.2422490000e+00 -2.0858420000e+00  1.2859250000e+00  6.2622600000e-01
+ENERGY -1.526575180119e+02
+FORCES -5.3608000000e-03 -1.1390000000e-04 -1.3354000000e-03  1.5810000000e-03  3.1907000000e-03 -5.7980000000e-04  4.7484000000e-03 -4.3890000000e-03  1.0337000000e-03 -2.2446000000e-03  7.3580000000e-04  5.4758000000e-03 -2.8068000000e-03  9.6910000000e-04 -3.8360000000e-03  4.0829000000e-03 -3.9280000000e-04 -7.5830000000e-04
+
+JOB 55
+COORDS -1.4476800000e-01 -9.5661600000e-01 -1.5410600000e+00  1.7596200000e-01 -1.7400100000e-01 -1.0928650000e+00 -7.3580100000e-01 -6.2172400000e-01 -2.2154200000e+00  1.3653600000e-01  9.4434000000e-01  1.5295170000e+00  1.0079150000e+00  7.7167300000e-01  1.8860520000e+00 -3.2668200000e-01  1.1093000000e-01  1.6137140000e+00
+ENERGY -1.526580892572e+02
+FORCES -8.0260000000e-04  5.6797000000e-03 -9.8090000000e-04 -1.3636000000e-03 -5.3952000000e-03 -3.3850000000e-03  2.2595000000e-03 -1.4196000000e-03  2.5762000000e-03  1.0541000000e-03 -4.0097000000e-03  4.6799000000e-03 -3.7367000000e-03  7.1540000000e-04 -2.0756000000e-03  2.5893000000e-03  4.4294000000e-03 -8.1460000000e-04
+
+JOB 56
+COORDS  1.0268200000e+00  1.6498000000e-02  1.4821990000e+00  3.7792200000e-01 -3.5746100000e-01  2.0782840000e+00  1.4314790000e+00 -7.4208100000e-01  1.0614360000e+00 -9.5240600000e-01  2.9220000000e-02 -1.5095830000e+00 -1.7163490000e+00  5.3422000000e-02 -2.0858100000e+00 -1.2788000000e+00  3.4007600000e-01 -6.6514900000e-01
+ENERGY -1.526553626574e+02
+FORCES  6.9210000000e-04 -5.3793000000e-03 -3.4000000000e-06  1.8073000000e-03  2.0764000000e-03 -2.9736000000e-03 -1.3741000000e-03  3.0606000000e-03  2.9919000000e-03 -3.6229000000e-03  2.5114000000e-03  1.8074000000e-03  3.1580000000e-03 -1.6470000000e-04  2.5581000000e-03 -6.6040000000e-04 -2.1043000000e-03 -4.3804000000e-03
+
+JOB 57
+COORDS -3.3756800000e-01  1.0650120000e+00 -1.6255890000e+00 -1.1099760000e+00  5.0776800000e-01 -1.7209580000e+00 -1.5952400000e-01  1.0694990000e+00 -6.8510400000e-01  4.2617400000e-01 -1.0151200000e+00  1.5367480000e+00 -3.5901500000e-01 -1.4884570000e+00  1.2616790000e+00  2.8767600000e-01 -8.4109400000e-01  2.4677500000e+00
+ENERGY -1.526556667559e+02
+FORCES -1.1049000000e-03 -2.7178000000e-03  4.4484000000e-03  2.6703000000e-03  1.9533000000e-03  3.5470000000e-04 -2.1780000000e-03  1.4433000000e-03 -5.3107000000e-03 -2.7870000000e-03 -3.1812000000e-03  4.1019000000e-03  2.9803000000e-03  3.0828000000e-03  7.1280000000e-04  4.1930000000e-04 -5.8030000000e-04 -4.3071000000e-03
+
+JOB 58
+COORDS  2.1111000000e-02  1.8864670000e+00  1.3662600000e-01 -7.9983100000e-01  2.0484120000e+00  6.0144700000e-01  5.3078900000e-01  2.6866460000e+00  2.6380400000e-01 -1.2774000000e-02 -1.9993490000e+00 -1.8651200000e-01 -5.6977400000e-01 -1.2538330000e+00 -4.1054300000e-01  6.7567600000e-01 -1.6274400000e+00  3.6480700000e-01
+ENERGY -1.526565637899e+02
+FORCES -7.1890000000e-04  5.6136000000e-03  2.1899000000e-03  3.4968000000e-03 -1.3408000000e-03 -2.1388000000e-03 -2.3688000000e-03 -3.2722000000e-03 -2.7840000000e-04  1.2306000000e-03  6.3987000000e-03  8.7210000000e-04  7.6450000000e-04 -4.4671000000e-03  9.6570000000e-04 -2.4042000000e-03 -2.9321000000e-03 -1.6105000000e-03
+
+JOB 59
+COORDS -4.8460000000e-03 -2.0372900000e-01 -1.9278260000e+00  2.7774000000e-02 -1.0981560000e+00 -2.2671900000e+00 -9.3908600000e-01 -6.5010000000e-03 -1.8605410000e+00  1.9365000000e-02  1.8876900000e-01  1.9637120000e+00  8.4681700000e-01  1.7624700000e-01  1.4826740000e+00 -1.6142900000e-01  1.1178960000e+00  2.1060800000e+00
+ENERGY -1.526555440153e+02
+FORCES -4.5430000000e-03 -3.2446000000e-03 -6.1380000000e-04  4.4800000000e-05  3.6721000000e-03  1.2171000000e-03  3.8611000000e-03 -5.1620000000e-04 -1.1155000000e-03  3.2077000000e-03  3.5668000000e-03 -2.7732000000e-03 -2.9501000000e-03  1.2660000000e-04  3.6680000000e-03  3.7950000000e-04 -3.6047000000e-03 -3.8260000000e-04
+
+JOB 60
+COORDS -1.2838100000e+00  3.5168500000e-01 -1.5153920000e+00 -1.7419430000e+00  7.0666400000e-01 -7.5359500000e-01 -7.5555200000e-01 -3.6555000000e-01 -1.1650360000e+00  1.2996140000e+00 -2.7101500000e-01  1.4769300000e+00  1.5440000000e+00 -1.1463010000e+00  1.7775670000e+00  7.3220300000e-01 -4.2634300000e-01  7.2184700000e-01
+ENERGY -1.526521790298e+02
+FORCES -1.0265000000e-03 -8.3880000000e-04  3.7144000000e-03  2.4779000000e-03 -2.1212000000e-03 -3.5128000000e-03 -7.0800000000e-04  3.2971000000e-03  4.5470000000e-04 -2.0880000000e-04 -4.1464000000e-03 -1.4912000000e-03 -1.2912000000e-03  3.9215000000e-03 -1.5089000000e-03  7.5650000000e-04 -1.1220000000e-04  2.3439000000e-03
+
+JOB 61
+COORDS -5.1917600000e-01 -9.5858400000e-01  1.6560510000e+00 -1.2950200000e+00 -3.9943600000e-01  1.6154080000e+00  1.8058000000e-02 -5.7364900000e-01  2.3484640000e+00  5.7278600000e-01  9.2517400000e-01 -1.7365110000e+00 -1.3487600000e-01  1.4130450000e+00 -1.3152890000e+00  5.0100800000e-01  4.0592000000e-02 -1.3779090000e+00
+ENERGY -1.526558041615e+02
+FORCES -9.9700000000e-04  3.2209000000e-03  4.6306000000e-03  3.6380000000e-03 -1.9773000000e-03 -7.7860000000e-04 -2.5797000000e-03 -1.6031000000e-03 -3.0452000000e-03 -3.0697000000e-03 -2.7197000000e-03  3.9735000000e-03  2.4801000000e-03 -1.2952000000e-03 -1.6958000000e-03  5.2820000000e-04  4.3744000000e-03 -3.0845000000e-03
+
+JOB 62
+COORDS  4.9874200000e-01  1.6887580000e+00 -9.6489100000e-01  1.3977030000e+00  1.9388500000e+00 -7.5145600000e-01  5.6828300000e-01  7.8649200000e-01 -1.2768410000e+00 -5.2972600000e-01 -1.6155360000e+00  1.0205040000e+00 -1.0027620000e+00 -2.4462220000e+00  1.0698000000e+00 -3.6934800000e-01 -1.4857950000e+00  8.5797000000e-02
+ENERGY -1.526525981998e+02
+FORCES  4.4493000000e-03 -2.1692000000e-03  4.9410000000e-04 -3.7858000000e-03 -8.6820000000e-04 -1.3105000000e-03 -1.0282000000e-03  2.5018000000e-03  1.2884000000e-03 -2.1494000000e-03 -2.7336000000e-03 -3.3626000000e-03  2.0824000000e-03  3.5750000000e-03 -1.1910000000e-04  4.3170000000e-04 -3.0580000000e-04  3.0096000000e-03
+
+JOB 63
+COORDS -1.0426080000e+00  8.4309000000e-01  1.4571900000e+00 -1.7100420000e+00  1.2896120000e+00  1.9781330000e+00 -1.3425700000e+00 -6.4669000000e-02  1.4099940000e+00  1.1498170000e+00 -8.6632400000e-01 -1.4756420000e+00  6.5593700000e-01 -6.9766700000e-01 -2.2780570000e+00  8.2475100000e-01 -2.1634600000e-01 -8.5267100000e-01
+ENERGY -1.526565398560e+02
+FORCES -4.6534000000e-03 -1.2832000000e-03  3.4424000000e-03  2.5720000000e-03 -2.1416000000e-03 -2.0745000000e-03  1.5555000000e-03  4.2590000000e-03 -4.8130000000e-04 -2.9808000000e-03  4.4765000000e-03 -3.7000000000e-04  1.8725000000e-03 -9.8640000000e-04  3.0396000000e-03  1.6342000000e-03 -4.3242000000e-03 -3.5562000000e-03
+
+JOB 64
+COORDS -1.1228260000e+00  8.0143300000e-01 -1.4647560000e+00 -2.0159610000e+00  9.4047400000e-01 -1.1497800000e+00 -6.8709700000e-01  1.6429900000e+00 -1.3300220000e+00  1.1801530000e+00 -8.7823200000e-01  1.4987250000e+00  1.4974510000e+00 -2.6469700000e-01  8.3605700000e-01  3.4675300000e-01 -1.1964440000e+00  1.1517130000e+00
+ENERGY -1.526559520116e+02
+FORCES -2.9695000000e-03  4.9285000000e-03  8.0580000000e-04  3.9499000000e-03 -7.7230000000e-04 -1.2133000000e-03 -1.3726000000e-03 -3.9908000000e-03 -2.3560000000e-04 -2.7395000000e-03  1.0550000000e-03 -5.4745000000e-03 -3.0470000000e-04 -1.8530000000e-03  3.3609000000e-03  3.4365000000e-03  6.3260000000e-04  2.7568000000e-03
+
+JOB 65
+COORDS  3.4820200000e-01 -1.8439980000e+00  8.6674700000e-01 -4.9584600000e-01 -2.2254300000e+00  1.1082530000e+00  4.9832400000e-01 -1.1604650000e+00  1.5197990000e+00 -2.7998400000e-01  1.8869680000e+00 -9.3026600000e-01 -9.7307000000e-02  1.0454210000e+00 -1.3481900000e+00 -9.6657700000e-01  1.6938650000e+00 -2.9188300000e-01
+ENERGY -1.526553583410e+02
+FORCES -1.8928000000e-03  2.2170000000e-04  4.7350000000e-03  3.3697000000e-03  2.1051000000e-03 -1.3117000000e-03 -1.2900000000e-03 -2.8800000000e-03 -3.0924000000e-03 -1.8174000000e-03 -5.1096000000e-03  3.7810000000e-04 -1.0445000000e-03  4.5353000000e-03  1.2819000000e-03  2.6750000000e-03  1.1275000000e-03 -1.9909000000e-03
+
+JOB 66
+COORDS  1.5180330000e+00 -1.3935850000e+00  2.3411500000e-01  1.2671320000e+00 -1.4011870000e+00  1.1578150000e+00  2.2735010000e+00 -1.9793900000e+00  1.8580800000e-01 -1.5483620000e+00  1.4722930000e+00 -3.2686300000e-01 -1.3959820000e+00  1.5782550000e+00  6.1217100000e-01 -1.6574080000e+00  5.2898800000e-01 -4.4735300000e-01
+ENERGY -1.526541589738e+02
+FORCES  3.1411000000e-03 -2.5191000000e-03  3.2972000000e-03  3.2250000000e-04  2.3920000000e-04 -3.8850000000e-03 -3.2040000000e-03  2.4290000000e-03  3.3140000000e-04  1.3844000000e-03 -4.0775000000e-03  2.7463000000e-03 -9.1380000000e-04 -3.1510000000e-04 -3.3725000000e-03 -7.3020000000e-04  4.2434000000e-03  8.8260000000e-04
+
+JOB 67
+COORDS  6.1886200000e-01 -1.5748460000e+00 -1.2473500000e+00  1.4014610000e+00 -2.0088950000e+00 -9.0768500000e-01  4.6984000000e-02 -2.2916220000e+00 -1.5219760000e+00 -5.9243800000e-01  1.6746050000e+00  1.2882950000e+00 -8.8438700000e-01  7.6724000000e-01  1.3759660000e+00 -9.4994200000e-01  1.9616140000e+00  4.4802800000e-01
+ENERGY -1.526551102715e+02
+FORCES  1.9382000000e-03 -4.9161000000e-03 -1.3180000000e-04 -3.5037000000e-03  1.5378000000e-03 -1.4934000000e-03  2.0906000000e-03  3.2257000000e-03  1.4064000000e-03 -1.8758000000e-03 -3.4851000000e-03 -4.2715000000e-03  4.7340000000e-04  4.0296000000e-03  7.8220000000e-04  8.7730000000e-04 -3.9190000000e-04  3.7081000000e-03
+
+JOB 68
+COORDS  9.5819500000e-01  1.1291720000e+00  1.6242330000e+00  7.9980500000e-01  1.6714520000e+00  2.3969400000e+00  1.8891620000e+00  1.2467440000e+00  1.4352650000e+00 -1.0138530000e+00 -1.0971850000e+00 -1.6556200000e+00 -4.4580800000e-01 -1.5730370000e+00 -2.2615260000e+00 -1.3576630000e+00 -1.7712740000e+00 -1.0694200000e+00
+ENERGY -1.526532170859e+02
+FORCES  3.0644000000e-03  2.9210000000e-03  1.7857000000e-03  5.7820000000e-04 -2.3553000000e-03 -3.1139000000e-03 -3.6788000000e-03 -5.6330000000e-04  9.8900000000e-04  1.2148000000e-03 -4.3702000000e-03  9.0810000000e-04 -2.2498000000e-03  1.9700000000e-03  2.2737000000e-03  1.0713000000e-03  2.3979000000e-03 -2.8427000000e-03
+
+JOB 69
+COORDS -1.0191250000e+00 -2.1181900000e+00  3.9042900000e-01 -1.3678480000e+00 -2.3626460000e+00  1.2476720000e+00 -1.9750300000e-01 -1.6673950000e+00  5.8524300000e-01  9.9093800000e-01  2.0527810000e+00 -4.0115800000e-01  3.7132800000e-01  2.2642430000e+00 -1.0994410000e+00  1.6623380000e+00  2.7322900000e+00 -4.6216600000e-01
+ENERGY -1.526553145581e+02
+FORCES  2.3540000000e-03  1.5477000000e-03  4.2498000000e-03  1.2835000000e-03  8.0860000000e-04 -3.3893000000e-03 -3.6762000000e-03 -2.8636000000e-03 -6.1760000000e-04 -2.6000000000e-05  3.8909000000e-03 -3.4332000000e-03  2.8186000000e-03 -6.2100000000e-04  2.9241000000e-03 -2.7539000000e-03 -2.7626000000e-03  2.6620000000e-04
+
+JOB 70
+COORDS  1.6307000000e-02 -1.7373600000e-01  2.3794130000e+00 -2.7873000000e-02  2.8175600000e-01  3.2201310000e+00  6.6980700000e-01 -8.6035900000e-01  2.5125220000e+00 -2.1754000000e-02  2.1121000000e-01 -2.4871870000e+00  3.4677300000e-01  1.1566000000e-01 -1.6089560000e+00 -9.1517200000e-01 -1.2363800000e-01 -2.4102850000e+00
+ENERGY -1.526554126492e+02
+FORCES  2.3275000000e-03 -6.7880000000e-04  4.8413000000e-03  2.5320000000e-04 -2.0589000000e-03 -3.3949000000e-03 -2.7071000000e-03  2.8948000000e-03 -9.3750000000e-04 -2.3767000000e-03 -1.4524000000e-03  4.7243000000e-03 -9.9110000000e-04  9.2000000000e-05 -4.4347000000e-03  3.4941000000e-03  1.2033000000e-03 -7.9850000000e-04
+
+JOB 71
+COORDS -8.2573800000e-01  1.3259880000e+00 -1.9651870000e+00 -1.1514900000e-01  1.6303290000e+00 -1.4006770000e+00 -1.6190570000e+00  1.6831930000e+00 -1.5660880000e+00  8.2644800000e-01 -1.3133250000e+00  1.9657640000e+00  1.3284650000e+00 -2.1271740000e+00  1.9226150000e+00  3.5603500000e-01 -1.2770810000e+00  1.1329200000e+00
+ENERGY -1.526550443896e+02
+FORCES -4.2450000000e-04  3.6280000000e-03  3.5507000000e-03 -3.0647000000e-03 -1.8187000000e-03 -2.3340000000e-03  3.3040000000e-03 -1.7130000000e-03 -1.6207000000e-03  5.1900000000e-05 -3.6440000000e-03 -3.6670000000e-03 -2.0086000000e-03  3.3241000000e-03  2.4670000000e-04  2.1420000000e-03  2.2370000000e-04  3.8244000000e-03
+
+JOB 72
+COORDS  8.8626700000e-01  1.9574320000e+00  1.3208100000e+00  1.7973910000e+00  1.6747630000e+00  1.2421780000e+00  9.3312400000e-01  2.7907890000e+00  1.7893740000e+00 -9.1681400000e-01 -2.0575300000e+00 -1.3424050000e+00 -1.7461300000e+00 -1.6993670000e+00 -1.0258840000e+00 -4.3576800000e-01 -1.2969220000e+00 -1.6684460000e+00
+ENERGY -1.526547929250e+02
+FORCES  4.0743000000e-03  2.2339000000e-03  2.0553000000e-03 -3.7951000000e-03  1.2910000000e-03  9.2800000000e-05 -1.8200000000e-04 -3.4082000000e-03 -1.9597000000e-03 -1.3815000000e-03  5.1500000000e-03  5.3850000000e-04  3.0654000000e-03 -1.8021000000e-03 -1.5568000000e-03 -1.7811000000e-03 -3.4646000000e-03  8.2980000000e-04
+
+JOB 73
+COORDS -5.4925000000e-01 -6.1762600000e-01  2.4802030000e+00  2.7860000000e-01 -9.2708500000e-01  2.8478050000e+00 -7.9185700000e-01  1.2794000000e-01  3.0292990000e+00  5.2648600000e-01  5.4171800000e-01 -2.4947110000e+00  1.0697660000e+00  1.3257820000e+00 -2.5742220000e+00 -2.1025900000e-01  6.9935700000e-01 -3.0851250000e+00
+ENERGY -1.526534097373e+02
+FORCES  2.6850000000e-03  1.7899000000e-03  3.2279000000e-03 -3.4498000000e-03  1.2446000000e-03 -1.2221000000e-03  8.9450000000e-04 -3.0088000000e-03 -2.1629000000e-03 -1.1508000000e-03  3.7392000000e-03 -2.3707000000e-03 -2.0909000000e-03 -3.1806000000e-03  2.9540000000e-04  3.1120000000e-03 -5.8430000000e-04  2.2324000000e-03
+
+JOB 74
+COORDS  5.3345100000e-01 -1.9176930000e+00 -1.7475130000e+00 -3.2245600000e-01 -2.3460350000e+00 -1.7341470000e+00  1.0496360000e+00 -2.3925090000e+00 -1.0961030000e+00 -5.4197500000e-01  2.0199950000e+00  1.7464360000e+00  1.3355300000e-01  1.4377730000e+00  2.0941600000e+00 -6.9756800000e-01  1.7027240000e+00  8.5685100000e-01
+ENERGY -1.526547082432e+02
+FORCES -1.2220000000e-03 -4.4352000000e-03  2.0600000000e-03  3.5642000000e-03  2.0342000000e-03  1.5310000000e-04 -2.2364000000e-03  2.2947000000e-03 -2.4505000000e-03  2.3614000000e-03 -3.6204000000e-03 -2.7101000000e-03 -2.7692000000e-03  2.2688000000e-03 -1.0832000000e-03  3.0200000000e-04  1.4579000000e-03  4.0308000000e-03
+
+JOB 75
+COORDS  1.5688800000e-01 -2.7036110000e+00 -5.6254000000e-02  2.0090000000e-03 -2.5459260000e+00 -9.8758600000e-01 -6.3929600000e-01 -2.3936220000e+00  3.7528800000e-01 -7.0927000000e-02  2.6930800000e+00  1.3058100000e-01 -4.2858000000e-01  3.3052720000e+00 -5.1248800000e-01 -3.8163600000e-01  1.8345130000e+00 -1.5673900000e-01
+ENERGY -1.526535973594e+02
+FORCES -3.7271000000e-03  1.2237000000e-03 -1.8290000000e-03  5.2820000000e-04 -2.4270000000e-04  3.9216000000e-03  3.3173000000e-03 -8.7650000000e-04 -2.0673000000e-03 -2.3845000000e-03 -9.5370000000e-04 -3.7591000000e-03  1.4220000000e-03 -2.6137000000e-03  2.6374000000e-03  8.4420000000e-04  3.4630000000e-03  1.0965000000e-03
+
+JOB 76
+COORDS  5.5242200000e-01 -8.3673800000e-01  2.7847670000e+00  5.0163000000e-02 -4.8344900000e-01  2.0504960000e+00  1.4316520000e+00 -4.7627900000e-01  2.6696330000e+00 -5.4302300000e-01  7.7251500000e-01 -2.6864400000e+00 -1.4651770000e+00  1.0290360000e+00 -2.6785720000e+00 -2.5507900000e-01  9.3964900000e-01 -3.5838730000e+00
+ENERGY -1.526547958531e+02
+FORCES  1.5819000000e-03  2.8970000000e-03 -4.0068000000e-03  1.8391000000e-03 -1.4339000000e-03  3.4800000000e-03 -3.4372000000e-03 -1.4605000000e-03  7.5380000000e-04 -2.5920000000e-03  1.6635000000e-03 -4.0665000000e-03  3.8324000000e-03 -1.0381000000e-03  1.5210000000e-04 -1.2241000000e-03 -6.2810000000e-04  3.6874000000e-03
+
+JOB 77
+COORDS -1.6750730000e+00 -1.6701300000e-01 -2.4184200000e+00 -1.7836640000e+00  3.7369100000e-01 -1.6360650000e+00 -2.1403560000e+00 -9.7859000000e-01 -2.2157230000e+00  1.6632280000e+00  1.9902900000e-01  2.3190330000e+00  1.9791300000e+00  7.1891400000e-01  3.0580580000e+00  2.1617770000e+00 -6.1656900000e-01  2.3688400000e+00
+ENERGY -1.526544339329e+02
+FORCES -1.9484000000e-03 -9.7120000000e-04  4.4597000000e-03  2.3600000000e-05 -2.1760000000e-03 -3.5176000000e-03  1.7774000000e-03  3.1743000000e-03 -9.7520000000e-04  3.6319000000e-03 -1.2089000000e-03  3.0977000000e-03 -1.3612000000e-03 -2.1346000000e-03 -2.9956000000e-03 -2.1233000000e-03  3.3164000000e-03 -6.8900000000e-05
+
+JOB 78
+COORDS  6.9120400000e-01  2.9333460000e+00  4.6918900000e-01  1.4347990000e+00  2.3438610000e+00  3.4347100000e-01  1.8614300000e-01  2.5347860000e+00  1.1779160000e+00 -7.4887200000e-01 -2.8440270000e+00 -4.6638400000e-01  1.8043000000e-01 -2.6369470000e+00 -5.6511300000e-01 -8.7770700000e-01 -3.6289990000e+00 -9.9878700000e-01
+ENERGY -1.526540716854e+02
+FORCES  6.2960000000e-04 -4.1391000000e-03  2.4026000000e-03 -2.8609000000e-03  2.3408000000e-03  4.3830000000e-04  2.2729000000e-03  1.7749000000e-03 -2.8329000000e-03  3.0680000000e-03 -2.5355000000e-03 -2.8601000000e-03 -3.6956000000e-03 -6.4760000000e-04  6.2520000000e-04  5.8600000000e-04  3.2065000000e-03  2.2269000000e-03
+
+JOB 79
+COORDS -3.9798500000e-01  1.2813600000e-01 -3.3770540000e+00 -8.9414000000e-02 -1.7236500000e-01 -4.2318730000e+00 -1.3461730000e+00  2.0999600000e-01 -3.4793760000e+00  3.9177800000e-01 -1.2660300000e-01  3.4895630000e+00  8.8710900000e-01  6.6867100000e-01  3.2935540000e+00  6.1105700000e-01 -7.2753100000e-01  2.7774990000e+00
+ENERGY -1.526544731880e+02
+FORCES -2.7274000000e-03 -8.4640000000e-04 -4.0179000000e-03 -1.2334000000e-03  1.2136000000e-03  3.5179000000e-03  3.9194000000e-03 -3.5270000000e-04  4.0960000000e-04  2.8832000000e-03  8.3840000000e-04 -4.0178000000e-03 -1.9758000000e-03 -3.1894000000e-03  9.8530000000e-04 -8.6590000000e-04  2.3365000000e-03  3.1229000000e-03
+
+JOB 80
+COORDS -9.4565500000e-01  3.5008880000e+00  6.5234300000e-01 -1.4298120000e+00  4.0529090000e+00  3.8261000000e-02 -2.7185000000e-02  3.7268160000e+00  5.0537600000e-01  8.9571700000e-01 -3.5221500000e+00 -6.6590100000e-01  4.4706800000e-01 -3.6961840000e+00  1.6154000000e-01  1.8077610000e+00 -3.7599720000e+00 -4.9902100000e-01
+ENERGY -1.526540596720e+02
+FORCES  1.7884000000e-03  3.0174000000e-03 -3.2832000000e-03  1.9577000000e-03 -2.1782000000e-03  2.5576000000e-03 -3.7292000000e-03 -8.3480000000e-04  6.9210000000e-04  1.7526000000e-03 -1.5335000000e-03  4.1674000000e-03  1.8973000000e-03  5.6970000000e-04 -3.4079000000e-03 -3.6668000000e-03  9.5940000000e-04 -7.2590000000e-04
+
+JOB 81
+COORDS  2.5543800000e-01 -3.1764840000e+00 -2.2054290000e+00  1.1425090000e+00 -2.9699340000e+00 -1.9110240000e+00 -2.8633000000e-01 -2.4738280000e+00 -1.8462710000e+00 -2.7429800000e-01  3.1852920000e+00  2.2035220000e+00 -7.5490000000e-02  3.0393680000e+00  1.2786360000e+00 -4.4596100000e-01  2.3108450000e+00  2.5529600000e+00
+ENERGY -1.526537418436e+02
+FORCES  1.4427000000e-03  3.5406000000e-03  2.5349000000e-03 -3.7122000000e-03 -7.3860000000e-04 -1.1384000000e-03  2.2593000000e-03 -2.7505000000e-03 -1.3588000000e-03  5.6300000000e-05 -3.9874000000e-03 -2.2229000000e-03 -7.9750000000e-04  4.2740000000e-04  3.7591000000e-03  7.5140000000e-04  3.5084000000e-03 -1.5739000000e-03
+
+JOB 82
+COORDS  4.6674000000e-02  3.3972140000e+00  1.9689410000e+00  8.5558500000e-01  3.8640820000e+00  2.1785320000e+00 -5.9387600000e-01  3.7336870000e+00  2.5956110000e+00 -5.1891000000e-02 -3.3809570000e+00 -1.9968700000e+00  1.3277500000e-01 -4.1689130000e+00 -1.4857380000e+00 -2.8544000000e-01 -3.7077590000e+00 -2.8657120000e+00
+ENERGY -1.526537607967e+02
+FORCES  6.9740000000e-04  3.1630000000e-03  3.3363000000e-03 -3.3058000000e-03 -1.8674000000e-03 -8.2920000000e-04  2.6109000000e-03 -1.3460000000e-03 -2.5393000000e-03 -2.1500000000e-04 -4.4328000000e-03 -1.3892000000e-03 -7.4660000000e-04  3.1732000000e-03 -2.1101000000e-03  9.5910000000e-04  1.3099000000e-03  3.5314000000e-03
+
+JOB 83
+COORDS -4.0230000000e-03  3.8653070000e+00  8.4081100000e-01  1.6222500000e-01  4.7354050000e+00  1.2034720000e+00 -7.5252600000e-01  3.9877030000e+00  2.5686300000e-01  8.3175000000e-02 -3.9181500000e+00 -7.7233200000e-01  2.7282000000e-01 -4.1737810000e+00 -1.6750610000e+00 -8.5520400000e-01 -3.7293060000e+00 -7.6847400000e-01
+ENERGY -1.526538768659e+02
+FORCES -2.3133000000e-03  4.0089000000e-03 -8.6940000000e-04 -6.9450000000e-04 -3.5449000000e-03 -1.4931000000e-03  3.0208000000e-03 -5.0520000000e-04  2.3626000000e-03 -3.0091000000e-03 -9.6100000000e-05 -3.6078000000e-03 -7.8930000000e-04  9.9270000000e-04  3.6650000000e-03  3.7853000000e-03 -8.5550000000e-04 -5.7400000000e-05
+
+JOB 84
+COORDS -4.9420700000e-01  4.1321170000e+00 -1.3298650000e+00 -1.3692830000e+00  3.7579470000e+00 -1.2275390000e+00 -2.5849000000e-01  4.4346200000e+00 -4.5284600000e-01  5.0349000000e-01 -4.0729860000e+00  1.3074260000e+00  1.3997770000e+00 -4.2343410000e+00  1.0126930000e+00  2.3821000000e-02 -4.8638620000e+00  1.0611250000e+00
+ENERGY -1.526541683385e+02
+FORCES -2.5941000000e-03 -4.5530000000e-04  4.0749000000e-03  3.5302000000e-03  1.6143000000e-03 -4.6990000000e-04 -9.5280000000e-04 -1.1432000000e-03 -3.5974000000e-03  1.7538000000e-03 -3.8741000000e-03 -2.2708000000e-03 -3.6672000000e-03  6.3100000000e-04  1.2391000000e-03  1.9301000000e-03  3.2274000000e-03  1.0241000000e-03
+
+JOB 85
+COORDS  5.4635700000e-01 -3.8804140000e+00 -1.9905820000e+00  5.3528900000e-01 -4.7884420000e+00 -2.2932300000e+00  1.0453890000e+00 -3.9056330000e+00 -1.1741490000e+00 -5.5918200000e-01  3.8834610000e+00  1.9185890000e+00 -7.1572200000e-01  4.7842790000e+00  1.6352980000e+00 -7.0443800000e-01  3.9006970000e+00  2.8645460000e+00
+ENERGY -1.526539529638e+02
+FORCES  1.9918000000e-03 -3.6684000000e-03  2.1744000000e-03  3.6400000000e-05  3.6852000000e-03  1.2121000000e-03 -2.0201000000e-03 -5.4000000000e-06 -3.3611000000e-03 -1.2788000000e-03  3.7306000000e-03  2.6178000000e-03  6.5280000000e-04 -3.6600000000e-03  1.1926000000e-03  6.1800000000e-04 -8.1900000000e-05 -3.8358000000e-03
+
+JOB 86
+COORDS  6.1791000000e-01  4.3507290000e+00  1.5987590000e+00  2.9172700000e-01  5.0111400000e+00  2.2100650000e+00  1.3012370000e+00  3.8898620000e+00  2.0854810000e+00 -6.8288000000e-01 -4.3122780000e+00 -1.6336950000e+00 -7.0976000000e-02 -4.8519230000e+00 -1.1331060000e+00 -5.6035700000e-01 -4.5898160000e+00 -2.5415450000e+00
+ENERGY -1.526539618652e+02
+FORCES  1.3962000000e-03  7.0910000000e-04  4.4668000000e-03  1.3484000000e-03 -2.6642000000e-03 -2.4943000000e-03 -2.7457000000e-03  1.9328000000e-03 -1.9701000000e-03  2.9948000000e-03 -3.2539000000e-03 -1.6974000000e-03 -2.4939000000e-03  2.1836000000e-03 -2.0200000000e-03 -4.9990000000e-04  1.0927000000e-03  3.7150000000e-03
+
+JOB 87
+COORDS -1.9815220000e+00  4.5756750000e+00  1.0450560000e+00 -2.0339790000e+00  3.7106400000e+00  6.3861400000e-01 -1.0545460000e+00  4.6854640000e+00  1.2569380000e+00  1.9634830000e+00 -4.4782110000e+00 -1.0079870000e+00  1.7279390000e+00 -4.6292460000e+00 -1.9233770000e+00  1.5824720000e+00 -5.2191520000e+00 -5.3674600000e-01
+ENERGY -1.526541993080e+02
+FORCES  3.6225000000e-03 -3.1326000000e-03 -7.8440000000e-04  1.6030000000e-04  3.5526000000e-03  1.6428000000e-03 -3.7952000000e-03 -4.0260000000e-04 -8.5870000000e-04 -2.4646000000e-03 -3.7343000000e-03 -1.8212000000e-03  9.3970000000e-04  6.6170000000e-04  3.7433000000e-03  1.5373000000e-03  3.0551000000e-03 -1.9218000000e-03
+
+JOB 88
+COORDS -8.3361400000e-01  4.5701100000e-01  5.0504350000e+00 -6.9834600000e-01  1.2613310000e+00  5.5514380000e+00 -1.4828350000e+00 -3.3451000000e-02  5.5546070000e+00  9.0716100000e-01 -4.4801500000e-01 -5.0630990000e+00  8.2401900000e-01 -2.1104600000e-01 -5.9867690000e+00  2.4768800000e-01 -1.1288480000e+00 -4.9297080000e+00
+ENERGY -1.526539881553e+02
+FORCES -2.0560000000e-03  1.3103000000e-03  4.0684000000e-03 -5.7070000000e-04 -3.2925000000e-03 -2.0220000000e-03  2.6359000000e-03  1.9887000000e-03 -2.0584000000e-03 -3.0516000000e-03 -1.8166000000e-03 -3.1295000000e-03  3.4860000000e-04 -9.6030000000e-04  3.7500000000e-03  2.6939000000e-03  2.7704000000e-03 -6.0860000000e-04
+
+JOB 89
+COORDS -8.4388960000e+00 -9.5964500000e+00 -6.5304680000e+00 -8.0215600000e+00 -8.8011270000e+00 -6.8614120000e+00 -7.8650760000e+00 -1.0306312000e+01 -6.8186670000e+00  8.4163290000e+00  9.5358200000e+00  6.5403400000e+00  7.5516630000e+00  9.5736360000e+00  6.9491850000e+00  8.7229720000e+00  1.0442569000e+01  6.5431240000e+00
+ENERGY -1.526540776709e+02
+FORCES  4.0458000000e-03  3.4870000000e-04 -2.5242000000e-03 -1.7039000000e-03 -3.2440000000e-03  1.3492000000e-03 -2.3419000000e-03  2.8952000000e-03  1.1748000000e-03 -2.2764000000e-03  3.8533000000e-03  1.6817000000e-03  3.5272000000e-03 -1.5440000000e-04 -1.6690000000e-03 -1.2507000000e-03 -3.6989000000e-03 -1.2500000000e-05
+
+JOB 0
+COORDS  6.0092900000e-01 -1.0376130000e+00 -3.0652400000e-01  1.0243820000e+00 -1.6668810000e+00  2.7737800000e-01  6.0024200000e-01 -1.4668870000e+00 -1.1620670000e+00 -6.7205700000e-01  1.1206070000e+00  3.7311400000e-01 -2.7524200000e-01  1.6542970000e+00 -3.1532300000e-01 -2.9782800000e-01  2.4872500000e-01  2.4659800000e-01
+ENERGY -1.526575786865e+02
+FORCES -6.5061000000e-03  8.6269000000e-03  1.9341000000e-03 -2.4212000000e-03  2.6459000000e-03 -4.1707000000e-03  1.7411000000e-03  1.2297000000e-03  4.8788000000e-03  1.1436200000e-02 -1.5296100000e-02 -7.1204000000e-03 -1.3772000000e-03 -1.1005000000e-03  9.5120000000e-04 -2.8728000000e-03  3.8941000000e-03  3.5269000000e-03
+
+JOB 1
+COORDS  1.0648830000e+00  5.9843000000e-01  5.5496200000e-01  7.5342900000e-01  1.2020030000e+00  1.2294460000e+00  2.6917900000e-01  2.9779800000e-01  1.1597800000e-01 -1.0170600000e+00 -5.6062800000e-01 -5.2515700000e-01 -9.8443100000e-01 -1.4880260000e+00 -2.9042300000e-01 -7.6081400000e-01 -5.3727300000e-01 -1.4471240000e+00
+ENERGY -1.526587486297e+02
+FORCES -1.7702500000e-02 -7.6020000000e-03 -6.3518000000e-03 -5.5000000000e-04 -2.3124000000e-03 -2.1140000000e-03  9.0200000000e-03  4.8463000000e-03  1.1650000000e-04  8.8107000000e-03 -4.3220000000e-04  3.9147000000e-03 -3.7710000000e-04  4.9292000000e-03 -2.4782000000e-03  7.9890000000e-04  5.7100000000e-04  6.9128000000e-03
+
+JOB 2
+COORDS  1.0536890000e+00  6.9616100000e-01 -1.2639600000e-01  7.1138200000e-01  1.5722010000e+00  5.1400000000e-02  1.7262920000e+00  5.6127100000e-01  5.4116800000e-01 -1.1371030000e+00 -7.1190800000e-01  8.5975000000e-02 -9.2365600000e-01 -1.6446170000e+00  1.1290900000e-01 -3.1299900000e-01 -2.8372000000e-01 -1.4584100000e-01
+ENERGY -1.526585250160e+02
+FORCES -8.6873000000e-03 -4.2636000000e-03  5.8201000000e-03  1.9890000000e-03 -5.4762000000e-03 -4.7050000000e-04 -3.2180000000e-03  1.5706000000e-03 -3.3328000000e-03  1.7601200000e-02  8.2558000000e-03 -2.3537000000e-03  1.3566000000e-03  3.0907000000e-03  2.9000000000e-04 -9.0415000000e-03 -3.1774000000e-03  4.6900000000e-05
+
+JOB 3
+COORDS -7.1871800000e-01 -7.7755100000e-01 -7.1016000000e-01 -7.9547000000e-01 -1.4877200000e+00 -7.2977000000e-02 -1.6088670000e+00 -6.5333600000e-01 -1.0394570000e+00  7.7501600000e-01  7.9601200000e-01  7.6230100000e-01  1.3372580000e+00  1.3932260000e+00  2.6889300000e-01  1.6425800000e-01  4.4910900000e-01  1.1202000000e-01
+ENERGY -1.526598065844e+02
+FORCES  3.0113000000e-03  1.9003000000e-03  7.0812000000e-03 -1.1468000000e-03  4.1868000000e-03 -4.0943000000e-03  4.6714000000e-03 -6.8390000000e-04  2.4610000000e-03 -8.9278000000e-03 -8.8069000000e-03 -1.1445200000e-02 -2.8712000000e-03 -2.1897000000e-03 -1.8860000000e-04  5.2632000000e-03  5.5934000000e-03  6.1859000000e-03
+
+JOB 4
+COORDS  1.6819100000e-01 -6.2220500000e-01  1.1005050000e+00  7.8649200000e-01 -1.3389040000e+00  9.5810200000e-01  5.8998800000e-01 -6.8322000000e-02  1.7574160000e+00 -2.5344700000e-01  6.1059300000e-01 -1.2006450000e+00 -1.0593300000e-01  2.9136000000e-02 -4.5473600000e-01 -6.0158000000e-02  1.4857780000e+00 -8.6460600000e-01
+ENERGY -1.526573125335e+02
+FORCES  1.8377000000e-03  5.9148000000e-03 -5.4565000000e-03 -3.4471000000e-03  5.4152000000e-03 -6.8240000000e-04 -1.5779000000e-03 -3.2500000000e-03 -3.6761000000e-03  2.7580000000e-03 -6.5536000000e-03  1.9111100000e-02  5.6880000000e-04  3.6560000000e-04 -8.8615000000e-03 -1.3960000000e-04 -1.8920000000e-03 -4.3460000000e-04
+
+JOB 5
+COORDS  1.2758640000e+00 -5.7987000000e-02  1.1961000000e-01  1.6193070000e+00 -3.9159600000e-01  9.4845400000e-01  1.4170170000e+00  8.8767900000e-01  1.6459900000e-01 -1.3610400000e+00  6.6410000000e-02 -1.6591800000e-01 -4.2419600000e-01  2.4166000000e-01 -7.7359000000e-02 -1.4121690000e+00 -8.6696700000e-01 -3.7189300000e-01
+ENERGY -1.526561798802e+02
+FORCES -6.4324000000e-03 -1.6430000000e-04  3.5584000000e-03 -1.2042000000e-03  2.1986000000e-03 -4.7015000000e-03 -6.0773000000e-03 -6.1377000000e-03  2.1300000000e-05  1.9328100000e-02 -6.0250000000e-03  9.5060000000e-04 -4.3668000000e-03  8.3107000000e-03 -7.5040000000e-04 -1.2474000000e-03  1.8176000000e-03  9.2170000000e-04
+
+JOB 6
+COORDS  9.5011700000e-01 -9.6025100000e-01  2.6829100000e-01  2.2163300000e-01 -3.3950100000e-01  2.5372500000e-01  1.5409610000e+00 -6.5306000000e-01 -4.1929200000e-01 -9.2772800000e-01  8.9151700000e-01 -1.6493000000e-01 -5.5151500000e-01  1.5890940000e+00 -7.0166300000e-01 -1.5475400000e+00  4.4983400000e-01 -7.4543100000e-01
+ENERGY -1.526582212469e+02
+FORCES -1.1439600000e-02  1.4582900000e-02 -3.8713000000e-03  4.8819000000e-03 -8.0412000000e-03  7.0290000000e-04 -1.7857000000e-03 -2.1900000000e-04  1.3065000000e-03  5.2230000000e-03 -3.7286000000e-03 -2.9801000000e-03 -1.7789000000e-03 -4.7016000000e-03  1.8971000000e-03  4.8993000000e-03  2.1075000000e-03  2.9448000000e-03
+
+JOB 7
+COORDS  4.4256000000e-01 -1.1248160000e+00 -5.2119000000e-01 -4.7560600000e-01 -1.3856350000e+00 -4.4925000000e-01  8.7361400000e-01 -1.5583630000e+00  2.1533000000e-01 -4.0501200000e-01  1.1831930000e+00  5.3795000000e-01 -1.1143700000e-01  4.0332600000e-01  6.6937000000e-02 -8.6611400000e-01  1.7021800000e+00 -1.2104100000e-01
+ENERGY -1.526580973536e+02
+FORCES -1.6203000000e-03  1.3062000000e-03  6.2520000000e-03  5.2240000000e-03  6.7895000000e-03  8.2020000000e-04 -3.3299000000e-03  2.6940000000e-03 -4.0208000000e-03  7.6454000000e-03 -1.2148800000e-02 -8.9567000000e-03 -9.1669000000e-03  5.0344000000e-03  4.9700000000e-03  1.2476000000e-03 -3.6754000000e-03  9.3530000000e-04
+
+JOB 8
+COORDS -5.5170900000e-01  1.1330320000e+00 -5.8668000000e-02 -1.4226840000e+00  1.2455890000e+00 -4.3941200000e-01 -2.9917800000e-01  2.0111520000e+00  2.2657800000e-01  6.4769700000e-01 -1.1976960000e+00  8.0760000000e-02  1.9255200000e-01 -3.8106700000e-01 -1.2464900000e-01 -1.9573000000e-02 -1.8764280000e+00 -2.0759000000e-02
+ENERGY -1.526577991703e+02
+FORCES  5.5401000000e-03 -6.6686000000e-03  1.6826000000e-03  4.5220000000e-03 -4.4990000000e-04  2.3128000000e-03 -3.6340000000e-03 -3.2707000000e-03 -2.0992000000e-03 -8.5645000000e-03  1.4541900000e-02 -2.8230000000e-04  1.5806000000e-03 -7.4653000000e-03 -1.3715000000e-03  5.5580000000e-04  3.3125000000e-03 -2.4240000000e-04
+
+JOB 9
+COORDS  4.1645400000e-01 -1.0780900000e+00  5.7957600000e-01 -2.2177900000e-01 -1.7808090000e+00  4.5678800000e-01  4.4153300000e-01 -9.3940400000e-01  1.5263440000e+00 -4.1735400000e-01  1.1342630000e+00 -6.8008600000e-01 -1.2963000000e-02  1.6574690000e+00  1.1980000000e-02 -1.9189800000e-01  2.3031500000e-01 -4.6036200000e-01
+ENERGY -1.526573499414e+02
+FORCES -4.2219000000e-03  6.1977000000e-03  1.3380000000e-03  2.7024000000e-03  5.6352000000e-03 -1.2800000000e-04 -2.0750000000e-04 -1.1400000000e-03 -4.7514000000e-03  8.3592000000e-03 -1.3405700000e-02  1.0802300000e-02 -1.4359000000e-03 -3.4830000000e-04 -1.1898000000e-03 -5.1963000000e-03  3.0611000000e-03 -6.0711000000e-03
+
+JOB 10
+COORDS  9.5425000000e-02 -6.4076100000e-01 -1.2417490000e+00  1.3725200000e-01 -4.2340600000e-01 -3.1049200000e-01 -1.5817700000e-01  1.7786200000e-01 -1.6680980000e+00 -8.9348000000e-02  5.4249500000e-01  1.1645510000e+00 -2.4752000000e-02  3.3486200000e-01  2.0967250000e+00 -4.2531000000e-02  1.4978370000e+00  1.1276700000e+00
+ENERGY -1.526584383428e+02
+FORCES -2.2613000000e-03  8.7149000000e-03  1.3464300000e-02  1.1359000000e-03 -3.9786000000e-03 -5.9213000000e-03  9.4960000000e-04 -1.4699000000e-03  8.2750000000e-04  1.0254000000e-03 -8.6080000000e-04 -4.8291000000e-03 -2.7310000000e-04  2.2832000000e-03 -4.5227000000e-03 -5.7650000000e-04 -4.6888000000e-03  9.8130000000e-04
+
+JOB 11
+COORDS  6.0157600000e-01  5.6264300000e-01  1.1321960000e+00  5.2537000000e-02  3.7670900000e-01  3.7047600000e-01  1.4599860000e+00  7.7186300000e-01  7.6396800000e-01 -6.2931200000e-01 -5.0558600000e-01 -1.0543370000e+00 -8.3910500000e-01 -1.2565020000e+00 -4.9904900000e-01 -2.2402000000e-01 -8.8831700000e-01 -1.8324680000e+00
+ENERGY -1.526589741000e+02
+FORCES -3.1629000000e-03 -3.0023000000e-03 -1.4642700000e-02  1.2890000000e-04 -4.7960000000e-04  9.1513000000e-03 -1.9455000000e-03 -7.1790000000e-04  1.1388000000e-03  5.1539000000e-03 -2.1659000000e-03  2.7377000000e-03  2.1188000000e-03  5.7269000000e-03 -2.3428000000e-03 -2.2932000000e-03  6.3880000000e-04  3.9577000000e-03
+
+JOB 12
+COORDS -1.8454900000e-01  2.8673100000e-01  1.2620220000e+00  6.6684300000e-01  5.1560500000e-01  1.6348240000e+00 -8.1518700000e-01  5.1843300000e-01  1.9438150000e+00  1.2157100000e-01 -3.4589900000e-01 -1.3638960000e+00  3.1929000000e-02 -5.5972000000e-02 -4.5607600000e-01  1.0144970000e+00 -1.0123200000e-01 -1.6069050000e+00
+ENERGY -1.526589127522e+02
+FORCES -1.3711000000e-03 -3.1790000000e-04 -2.8565000000e-03 -4.4093000000e-03 -8.1360000000e-04 -2.7977000000e-03  4.7729000000e-03 -7.9850000000e-04 -1.4932000000e-03 -1.3351000000e-03  3.6628000000e-03  1.2308900000e-02  4.6401000000e-03 -1.4119000000e-03 -7.7310000000e-03 -2.2975000000e-03 -3.2100000000e-04  2.5694000000e-03
+
+JOB 13
+COORDS  5.4031000000e-02  2.0194400000e-01 -1.3174030000e+00 -8.0810000000e-02  1.1396730000e+00 -1.4542060000e+00  7.2031100000e-01 -4.1004000000e-02 -1.9602700000e+00 -4.1476000000e-02 -2.5307600000e-01  1.4069070000e+00 -9.8850100000e-01 -1.1487400000e-01  1.4235220000e+00  2.0320100000e-01 -1.2837300000e-01  4.8994800000e-01
+ENERGY -1.526604456561e+02
+FORCES  1.2877000000e-03  1.5572000000e-03  4.8360000000e-04  9.0830000000e-04 -5.2627000000e-03  9.1760000000e-04 -3.3491000000e-03  2.2216000000e-03  3.3233000000e-03 -2.2398000000e-03  1.1033000000e-03 -1.4369100000e-02  2.4121000000e-03  4.5760000000e-04  4.9640000000e-04  9.8080000000e-04 -7.7100000000e-05  9.1482000000e-03
+
+JOB 14
+COORDS  6.5752100000e-01 -1.1416350000e+00  2.9030300000e-01  1.6948000000e-01 -1.7690360000e+00 -2.4300500000e-01  6.1855400000e-01 -1.4992020000e+00  1.1773540000e+00 -6.8026200000e-01  1.2060980000e+00 -3.5150500000e-01 -2.7781000000e-01  1.8715670000e+00  2.0653900000e-01 -1.4902300000e-01  4.2224700000e-01 -2.1152500000e-01
+ENERGY -1.526606574995e+02
+FORCES -4.2254000000e-03 -4.3950000000e-04  2.3552000000e-03  1.9652000000e-03  4.5791000000e-03  3.1982000000e-03  3.9870000000e-04  7.2120000000e-04 -4.7111000000e-03  8.8804000000e-03 -9.3056000000e-03  5.2093000000e-03 -1.1167000000e-03 -2.1664000000e-03 -9.7200000000e-04 -5.9022000000e-03  6.6111000000e-03 -5.0796000000e-03
+
+JOB 15
+COORDS  3.1614000000e-02  1.3720620000e+00  3.4950000000e-03  4.6844000000e-01  1.2615470000e+00  8.4800800000e-01 -8.0959200000e-01  1.7746070000e+00  2.1927800000e-01  7.3630000000e-03 -1.4149830000e+00  9.7000000000e-04 -1.3120000000e-03 -4.9239800000e-01 -2.5396800000e-01 -2.5715000000e-01 -1.8849830000e+00 -7.8983000000e-01
+ENERGY -1.526614256990e+02
+FORCES -2.0684000000e-03 -2.8160000000e-04  5.4481000000e-03 -3.1893000000e-03 -5.9770000000e-04 -5.4352000000e-03  4.3369000000e-03 -1.9565000000e-03 -7.4400000000e-04 -6.8450000000e-04  1.0722500000e-02 -3.6228000000e-03  1.3407000000e-03 -1.0786000000e-02  2.3734000000e-03  2.6460000000e-04  2.8993000000e-03  1.9806000000e-03
+
+JOB 16
+COORDS  8.5432800000e-01  9.0880000000e-03  1.0305700000e+00  5.4004400000e-01  3.7590400000e-01  1.8569500000e+00  1.3109570000e+00 -7.9355600000e-01  1.2825340000e+00 -8.6399300000e-01 -3.3511000000e-02 -1.1412640000e+00 -1.7698300000e-01  7.5088000000e-02 -4.8365100000e-01 -1.4967020000e+00  6.5703300000e-01 -9.4362800000e-01
+ENERGY -1.526603218234e+02
+FORCES -3.4126000000e-03 -2.8350000000e-03  1.8450000000e-04  1.8301000000e-03 -2.1904000000e-03 -3.6037000000e-03 -2.1831000000e-03  4.4269000000e-03  8.4000000000e-05  7.0981000000e-03  2.1334000000e-03  1.1035000000e-02 -5.3160000000e-03  3.0600000000e-04 -8.0578000000e-03  1.9836000000e-03 -1.8410000000e-03  3.5810000000e-04
+
+JOB 17
+COORDS  8.3233900000e-01  1.0047520000e+00  3.8696200000e-01  4.3671700000e-01  1.2368400000e+00  1.2271110000e+00  8.4514600000e-01  1.8246040000e+00 -1.0691100000e-01 -7.9554800000e-01 -1.1298320000e+00 -4.1400200000e-01 -3.9220000000e-01 -4.8922500000e-01  1.7180000000e-01 -1.4645610000e+00 -6.3479100000e-01 -8.8685200000e-01
+ENERGY -1.526561372164e+02
+FORCES -9.3580000000e-04  2.9388000000e-03 -3.0944000000e-03 -7.4290000000e-04 -4.3313000000e-03 -6.1340000000e-03 -2.0150000000e-04 -3.4712000000e-03  3.3396000000e-03  6.2932000000e-03  1.1658900000e-02  9.2600000000e-04 -6.2079000000e-03 -5.3480000000e-03  3.6578000000e-03  1.7949000000e-03 -1.4473000000e-03  1.3051000000e-03
+
+JOB 18
+COORDS  9.3153000000e-02  1.1594110000e+00 -6.5793200000e-01  4.6798000000e-01  1.1290960000e+00 -1.5381700000e+00  3.0150000000e-02  2.0929320000e+00 -4.5594000000e-01 -6.6297000000e-02 -1.2504200000e+00  6.7248700000e-01 -3.2482000000e-01 -3.9296700000e-01  3.3459300000e-01 -6.2176500000e-01 -1.3830880000e+00  1.4406570000e+00
+ENERGY -1.526601144171e+02
+FORCES  2.4132000000e-03 -1.4862000000e-03 -7.5630000000e-04 -1.8447000000e-03  2.1106000000e-03  3.9788000000e-03  5.7540000000e-04 -4.0608000000e-03 -1.6716000000e-03 -6.8300000000e-04  9.5010000000e-03 -3.5735000000e-03 -2.0137000000e-03 -8.2486000000e-03  4.6157000000e-03  1.5529000000e-03  2.1840000000e-03 -2.5931000000e-03
+
+JOB 19
+COORDS  1.2707030000e+00 -6.1902000000e-01  2.3114200000e-01  4.0430500000e-01 -3.3989000000e-01 -6.4954000000e-02  1.7457980000e+00 -8.2208600000e-01 -5.7463700000e-01 -1.2530510000e+00  5.5254000000e-01 -1.3905600000e-01 -1.0037380000e+00  1.3602460000e+00  3.1003800000e-01 -1.4243010000e+00  8.2262600000e-01 -1.0412530000e+00
+ENERGY -1.526606415830e+02
+FORCES -1.0667600000e-02  2.9140000000e-03 -3.5841000000e-03  1.1261000000e-02 -2.6633000000e-03  4.7430000000e-04 -2.8863000000e-03  1.4369000000e-03  1.7526000000e-03  5.8270000000e-04  4.8632000000e-03  3.1270000000e-04 -9.2850000000e-04 -4.7359000000e-03 -3.5019000000e-03  2.6385000000e-03 -1.8148000000e-03  4.5465000000e-03
+
+JOB 20
+COORDS -7.1550900000e-01  7.4120100000e-01  1.0096040000e+00 -1.4329890000e+00  1.1806500000e+00  5.5316300000e-01 -2.4192300000e-01  2.7566300000e-01  3.2024000000e-01  6.7195300000e-01 -7.1104100000e-01 -9.2129100000e-01  8.6966800000e-01 -1.6380420000e+00 -1.0547430000e+00  1.4814700000e+00 -2.5691400000e-01 -1.1551360000e+00
+ENERGY -1.526613260366e+02
+FORCES  3.5313000000e-03 -6.4283000000e-03 -9.4261000000e-03  2.4389000000e-03 -1.4462000000e-03  7.3470000000e-04 -3.2570000000e-03  7.4858000000e-03  5.7414000000e-03  9.2370000000e-04 -1.7462000000e-03  2.2930000000e-03  6.9260000000e-04  4.7896000000e-03 -7.7350000000e-04 -4.3295000000e-03 -2.6546000000e-03  1.4305000000e-03
+
+JOB 21
+COORDS -4.3418100000e-01  3.6303000000e-02 -1.2775980000e+00 -9.2876500000e-01  7.4412400000e-01 -1.6906450000e+00 -6.8450700000e-01 -7.4804900000e-01 -1.7658200000e+00  4.5915100000e-01  3.1146000000e-02  1.3696780000e+00  6.4404400000e-01 -8.5487700000e-01  1.6811420000e+00  5.4607900000e-01 -2.5941000000e-02  4.1814500000e-01
+ENERGY -1.526587082250e+02
+FORCES -3.2372000000e-03  1.0776000000e-03  1.5671000000e-03  1.7050000000e-03 -4.1934000000e-03  5.3880000000e-04  9.9730000000e-04  3.6770000000e-03  2.2031000000e-03 -3.0114000000e-03 -2.1136000000e-03 -1.0008000000e-02 -9.6360000000e-04  2.3698000000e-03 -1.9509000000e-03  4.5099000000e-03 -8.1740000000e-04  7.6499000000e-03
+
+JOB 22
+COORDS  1.2844830000e+00 -4.8287800000e-01 -3.9280000000e-02  1.7277040000e+00  2.6458500000e-01 -4.4063400000e-01  1.4803840000e+00 -1.2181720000e+00 -6.1996800000e-01 -1.3213530000e+00  5.5058000000e-01  9.6130000000e-02 -2.0901720000e+00  2.2224000000e-02  3.1058300000e-01 -6.2053700000e-01 -8.7935000000e-02 -3.5731000000e-02
+ENERGY -1.526604120323e+02
+FORCES  3.0105000000e-03  3.5625000000e-03 -2.6503000000e-03 -1.7724000000e-03 -4.9147000000e-03  1.4415000000e-03 -2.7312000000e-03  3.9676000000e-03  2.6722000000e-03  8.3974000000e-03 -5.6478000000e-03  9.4410000000e-04  3.7381000000e-03  3.3530000000e-04 -9.6350000000e-04 -1.0642300000e-02  2.6971000000e-03 -1.4440000000e-03
+
+JOB 23
+COORDS  6.7882100000e-01 -4.5673000000e-02 -1.2046130000e+00  2.8967800000e-01 -2.3416300000e-01 -2.0585870000e+00  8.2281600000e-01  9.0061800000e-01 -1.2100990000e+00 -6.8184900000e-01 -4.4712000000e-02  1.3067430000e+00 -9.7445100000e-01  8.6205100000e-01  1.2151060000e+00 -9.6109000000e-02 -1.8423400000e-01  5.6265100000e-01
+ENERGY -1.526592339786e+02
+FORCES -3.0362000000e-03  1.4451000000e-03 -3.0787000000e-03  2.5868000000e-03  2.2497000000e-03  3.4912000000e-03 -2.4174000000e-03 -4.8873000000e-03  1.6040000000e-03  4.1855000000e-03  9.8960000000e-04 -1.0852800000e-02  1.3489000000e-03 -2.1696000000e-03 -8.5300000000e-05 -2.6676000000e-03  2.3725000000e-03  8.9217000000e-03
+
+JOB 24
+COORDS -4.4920000000e-01  2.1091500000e-01  1.3977750000e+00 -5.3194200000e-01  2.4475400000e-01  4.4475900000e-01  4.5173500000e-01 -7.4093000000e-02  1.5504770000e+00  3.9478100000e-01 -1.5248200000e-01 -1.2867660000e+00  7.3046100000e-01 -1.0448240000e+00 -1.3720670000e+00  1.2717000000e-01  8.9042000000e-02 -2.1734920000e+00
+ENERGY -1.526597275183e+02
+FORCES  6.2479000000e-03 -9.6890000000e-04 -1.1104500000e-02 -4.0274000000e-03  1.0955000000e-03  6.8387000000e-03 -2.4342000000e-03 -2.9200000000e-04  1.0964000000e-03  2.9550000000e-04 -2.7331000000e-03 -1.3774000000e-03 -1.2297000000e-03  4.7138000000e-03  1.6740000000e-04  1.1479000000e-03 -1.8153000000e-03  4.3795000000e-03
+
+JOB 25
+COORDS -4.3802100000e-01 -7.4835500000e-01  1.0401150000e+00 -3.2814600000e-01 -1.6967410000e+00  1.1088430000e+00 -8.5224700000e-01 -4.9436200000e-01  1.8648190000e+00  4.3417800000e-01  8.4364800000e-01 -1.1056780000e+00  1.3174700000e-01  2.4706400000e-01 -4.2094800000e-01  1.1439140000e+00  3.7046100000e-01 -1.5399600000e+00
+ENERGY -1.526608523686e+02
+FORCES -4.1380000000e-04  1.0542000000e-03  8.4530000000e-04 -5.1590000000e-04  4.5925000000e-03  4.0270000000e-04  1.8395000000e-03 -3.1958000000e-03 -3.1737000000e-03 -1.8013000000e-03 -7.4120000000e-03  8.1221000000e-03  3.2075000000e-03  4.4671000000e-03 -7.8987000000e-03 -2.3159000000e-03  4.9400000000e-04  1.7023000000e-03
+
+JOB 26
+COORDS  7.8235600000e-01 -3.4493300000e-01 -1.1358070000e+00  1.4887030000e+00 -8.7948100000e-01 -7.7308700000e-01  1.1320620000e+00  5.4609800000e-01 -1.1369940000e+00 -8.4556700000e-01  3.8712300000e-01  1.1117620000e+00 -6.8932600000e-01 -2.4731200000e-01  4.1225400000e-01 -9.4873500000e-01 -1.4561300000e-01  1.9002920000e+00
+ENERGY -1.526594048419e+02
+FORCES  4.6603000000e-03  5.0209000000e-03  3.4190000000e-03 -3.8738000000e-03  2.0202000000e-03 -9.1820000000e-04 -5.9030000000e-04 -4.8362000000e-03 -1.2200000000e-03  2.8790000000e-03 -5.0313000000e-03 -5.7234000000e-03 -4.6400000000e-03  1.8331000000e-03  8.0197000000e-03  1.5649000000e-03  9.9320000000e-04 -3.5770000000e-03
+
+JOB 27
+COORDS  1.0064120000e+00  2.0431000000e-02 -9.7035000000e-01  1.7808070000e+00 -1.5966000000e-02 -4.0890700000e-01  1.2422760000e+00 -4.9964500000e-01 -1.7385430000e+00 -1.1229780000e+00  4.3976000000e-02  9.9392200000e-01 -7.2243000000e-01 -5.7845500000e-01  1.6008590000e+00 -5.0641100000e-01  9.7796000000e-02  2.6373000000e-01
+ENERGY -1.526605312442e+02
+FORCES  2.5714000000e-03 -2.3022000000e-03 -1.4111000000e-03 -4.5645000000e-03 -8.3920000000e-04 -2.3825000000e-03  4.5960000000e-04  2.5144000000e-03  4.0448000000e-03  7.7733000000e-03 -2.3993000000e-03 -6.5430000000e-03 -5.9160000000e-04  2.0649000000e-03 -1.5729000000e-03 -5.6482000000e-03  9.6150000000e-04  7.8647000000e-03
+
+JOB 28
+COORDS  2.3932100000e-01 -4.9089700000e-01  1.3939300000e+00  5.6954000000e-02  2.9088500000e-01  1.9152650000e+00  3.6041900000e-01 -1.6240100000e-01  5.0305600000e-01 -2.4004000000e-01  4.7499100000e-01 -1.3309500000e+00  5.3829200000e-01  1.4742000000e-02 -1.6449590000e+00 -9.7271800000e-01  1.3080000000e-02 -1.7384460000e+00
+ENERGY -1.526588874070e+02
+FORCES -3.3182000000e-03  7.3371000000e-03 -7.4336000000e-03  6.0580000000e-04 -2.7039000000e-03 -1.1369000000e-03  5.8638000000e-03 -4.7854000000e-03  5.4200000000e-03 -3.3500000000e-03 -4.0204000000e-03 -3.4567000000e-03 -3.9146000000e-03  1.6358000000e-03  5.7717000000e-03  4.1133000000e-03  2.5367000000e-03  8.3540000000e-04
+
+JOB 29
+COORDS  3.3622200000e-01  5.2363100000e-01 -1.3598420000e+00  1.1674300000e-01  1.0814500000e-01 -5.2591600000e-01 -4.3057100000e-01  3.7240100000e-01 -1.9124630000e+00 -2.3609700000e-01 -4.9025900000e-01  1.2911170000e+00 -9.7001200000e-01 -1.0614130000e+00  1.5177980000e+00 -1.9530300000e-01  1.4369000000e-01  2.0071310000e+00
+ENERGY -1.526614262034e+02
+FORCES -4.0870000000e-03 -4.3795000000e-03  8.0232000000e-03  1.8450000000e-03  3.5989000000e-03 -9.7339000000e-03  1.9532000000e-03  5.0200000000e-05  2.1656000000e-03 -1.8527000000e-03  1.3427000000e-03  3.1326000000e-03  3.1915000000e-03  3.3190000000e-03 -7.8330000000e-04 -1.0499000000e-03 -3.9313000000e-03 -2.8041000000e-03
+
+JOB 30
+COORDS -8.6684000000e-01 -9.3433000000e-01 -5.6040800000e-01 -6.3011500000e-01 -1.8281960000e+00 -8.0779000000e-01 -1.7555070000e+00 -8.1952300000e-01 -8.9704100000e-01  9.5794000000e-01  1.0074030000e+00  5.5521300000e-01  2.4079800000e-01  4.4803700000e-01  2.5680200000e-01  8.3348900000e-01  1.0725080000e+00  1.5020530000e+00
+ENERGY -1.526615631203e+02
+FORCES  5.7400000000e-05 -2.5198000000e-03 -2.1810000000e-03 -2.9130000000e-03  3.6557000000e-03  5.7780000000e-04  4.1226000000e-03 -1.4611000000e-03  1.5085000000e-03 -6.5848000000e-03 -6.3925000000e-03 -1.2107000000e-03  5.3730000000e-03  7.2791000000e-03  4.2913000000e-03 -5.5200000000e-05 -5.6150000000e-04 -2.9859000000e-03
+
+JOB 31
+COORDS  9.8521400000e-01  9.4521000000e-01 -5.9339400000e-01  5.3069500000e-01  1.5305200000e-01 -3.0681200000e-01  1.8933350000e+00  6.6925300000e-01 -7.1747500000e-01 -9.7858700000e-01 -8.4712500000e-01  5.4920900000e-01 -1.3783740000e+00 -6.8019300000e-01  1.4027520000e+00 -1.1909190000e+00 -1.7609630000e+00  3.5934700000e-01
+ENERGY -1.526607693045e+02
+FORCES -3.7477000000e-03 -6.4545000000e-03  3.1976000000e-03  7.7021000000e-03  5.0783000000e-03 -4.6167000000e-03 -3.4498000000e-03 -1.1480000000e-04  7.1070000000e-04 -2.7574000000e-03 -3.1740000000e-04  3.2667000000e-03  9.5950000000e-04 -2.4413000000e-03 -3.9284000000e-03  1.2934000000e-03  4.2497000000e-03  1.3702000000e-03
+
+JOB 32
+COORDS -5.3342000000e-01 -1.4239070000e+00 -2.2375000000e-02 -1.7417700000e-01 -1.6027540000e+00  8.4664200000e-01 -4.2869900000e-01 -4.7921200000e-01 -1.3558400000e-01  4.5005000000e-01  1.3784060000e+00  2.3397000000e-02  1.3435570000e+00  1.1444300000e+00  2.7466000000e-01  5.2067700000e-01  1.6458420000e+00 -8.9296600000e-01
+ENERGY -1.526602689916e+02
+FORCES  2.7112000000e-03  9.8001000000e-03  3.7957000000e-03 -3.3570000000e-04  2.5000000000e-06 -2.7789000000e-03 -2.3018000000e-03 -9.1456000000e-03 -2.3793000000e-03  5.6674000000e-03  1.5546000000e-03 -2.2463000000e-03 -4.9758000000e-03  4.8420000000e-04 -1.1316000000e-03 -7.6530000000e-04 -2.6959000000e-03  4.7404000000e-03
+
+JOB 33
+COORDS -1.9604200000e-01 -1.3223520000e+00  5.0375000000e-01  7.4907000000e-01 -1.3395840000e+00  6.5441000000e-01 -5.6310600000e-01 -1.8365350000e+00  1.2228550000e+00  2.1471500000e-01  1.3555860000e+00 -5.9649100000e-01 -3.0522000000e-01  2.1029630000e+00 -3.0097800000e-01 -1.8884500000e-01  5.9916400000e-01 -1.7081800000e-01
+ENERGY -1.526612655709e+02
+FORCES  2.6554000000e-03 -3.1498000000e-03  3.1981000000e-03 -5.7211000000e-03  4.9840000000e-04 -1.3810000000e-04  2.5395000000e-03  1.9364000000e-03 -3.0309000000e-03 -4.8882000000e-03 -5.0426000000e-03  3.6645000000e-03  1.3089000000e-03 -2.9627000000e-03 -5.0450000000e-04  4.1055000000e-03  8.7202000000e-03 -3.1892000000e-03
+
+JOB 34
+COORDS  7.7491100000e-01 -6.3715000000e-02  1.2893890000e+00  3.7295100000e-01  1.0902500000e-01  4.3802400000e-01  1.2637110000e+00  7.3435700000e-01  1.4903560000e+00 -7.1168900000e-01  1.5465000000e-02 -1.2403060000e+00 -1.2702100000e+00 -7.6122600000e-01 -1.2725010000e+00 -1.3013780000e+00  7.4341700000e-01 -1.4367360000e+00
+ENERGY -1.526617287814e+02
+FORCES -2.8365000000e-03  2.5415000000e-03 -8.1544000000e-03  5.3398000000e-03  1.0690000000e-04  9.6532000000e-03 -2.1539000000e-03 -2.0159000000e-03 -1.3284000000e-03 -5.2156000000e-03 -1.5193000000e-03 -8.7300000000e-04  2.1194000000e-03  4.5066000000e-03 -3.7480000000e-04  2.7468000000e-03 -3.6197000000e-03  1.0774000000e-03
+
+JOB 35
+COORDS -2.0321200000e-01  1.4056610000e+00 -2.1482500000e-01  2.7078700000e-01  1.4514990000e+00 -1.0451600000e+00 -9.5814100000e-01  1.9812490000e+00 -3.3734900000e-01  2.4775200000e-01 -1.4529630000e+00  3.3374700000e-01  2.5619100000e-01 -2.0868790000e+00 -3.8340700000e-01 -2.1979100000e-01 -6.9641100000e-01 -2.0180000000e-02
+ENERGY -1.526589971652e+02
+FORCES  6.9650000000e-04  5.1660000000e-03 -2.5306000000e-03 -3.7023000000e-03 -1.6484000000e-03  3.7666000000e-03  3.8550000000e-03 -3.1222000000e-03  1.3030000000e-04 -2.9127000000e-03  5.9506000000e-03 -2.4713000000e-03  7.1000000000e-06  3.4946000000e-03  1.7824000000e-03  2.0564000000e-03 -9.8407000000e-03 -6.7740000000e-04
+
+JOB 36
+COORDS -2.8386200000e-01  5.1224000000e-01  1.3087670000e+00 -5.5182200000e-01  1.1896000000e-01  2.1392850000e+00  3.0587000000e-01  1.2233880000e+00  1.5592000000e+00  2.7421400000e-01 -4.7899600000e-01 -1.4134340000e+00  4.2160900000e-01 -1.4145270000e+00 -1.5523160000e+00  4.7920000000e-03 -4.1188700000e-01 -4.9738800000e-01
+ENERGY -1.526611381425e+02
+FORCES  1.9551000000e-03  2.8858000000e-03  3.6007000000e-03  1.7410000000e-03  1.9402000000e-03 -3.6352000000e-03 -3.2682000000e-03 -3.5179000000e-03  3.6970000000e-04 -1.7136000000e-03 -1.6340000000e-04  7.6452000000e-03 -7.1400000000e-04  2.9588000000e-03  1.3646000000e-03  1.9997000000e-03 -4.1035000000e-03 -9.3451000000e-03
+
+JOB 37
+COORDS -1.2872500000e-01 -1.3908800000e+00  6.8965300000e-01  5.2047300000e-01 -7.2203100000e-01  4.7190300000e-01 -9.4855300000e-01 -1.0572220000e+00  3.2525500000e-01  7.7144000000e-02  1.2948770000e+00 -6.7232700000e-01  9.2578600000e-01  1.3151370000e+00 -1.1146250000e+00  1.5890600000e-01  1.9364580000e+00  3.3308000000e-02
+ENERGY -1.526580609181e+02
+FORCES -1.6461000000e-03  9.5822000000e-03 -6.0785000000e-03  2.1904000000e-03 -4.5876000000e-03  3.0800000000e-03  7.3090000000e-04 -3.7126000000e-03  2.7167000000e-03  2.3356000000e-03  4.2543000000e-03 -2.9490000000e-04 -3.7114000000e-03 -1.4028000000e-03  3.6887000000e-03  1.0060000000e-04 -4.1335000000e-03 -3.1121000000e-03
+
+JOB 38
+COORDS -6.6371900000e-01  6.0519600000e-01 -1.1506440000e+00 -1.6140070000e+00  4.9068000000e-01 -1.1421970000e+00 -5.3659800000e-01  1.5496560000e+00 -1.2404610000e+00  7.3207300000e-01 -6.0990700000e-01  1.2027600000e+00  7.5635900000e-01 -1.5667950000e+00  1.1999670000e+00  2.9898000000e-01 -3.7843500000e-01  3.8112600000e-01
+ENERGY -1.526617272662e+02
+FORCES -3.2181000000e-03  5.0851000000e-03 -4.5960000000e-04  4.6260000000e-03  6.0300000000e-04 -4.4100000000e-05 -1.6758000000e-03 -4.4109000000e-03 -1.3850000000e-04 -3.3137000000e-03  6.4710000000e-04 -7.3857000000e-03 -8.1620000000e-04  3.1570000000e-03 -5.1260000000e-04  4.3977000000e-03 -5.0813000000e-03  8.5405000000e-03
+
+JOB 39
+COORDS  4.5968300000e-01  1.2676500000e+00 -7.7132700000e-01  5.1535700000e-01  3.7676700000e-01 -4.2569800000e-01  3.1070900000e-01  1.8152450000e+00 -4.9800000000e-04 -4.0235000000e-01 -1.2350910000e+00  6.7158400000e-01 -3.9125100000e-01 -1.7917060000e+00  1.4502300000e+00 -1.3080000000e+00 -9.3223100000e-01  6.0597300000e-01
+ENERGY -1.526604015496e+02
+FORCES  5.9200000000e-05 -5.3510000000e-03  6.7184000000e-03  3.6690000000e-04  7.0492000000e-03 -4.6925000000e-03 -1.9030000000e-04 -1.1220000000e-03 -2.7780000000e-03 -3.7901000000e-03 -1.9611000000e-03  2.7657000000e-03 -1.2596000000e-03  2.7445000000e-03 -3.2557000000e-03  4.8139000000e-03 -1.3596000000e-03  1.2421000000e-03
+
+JOB 40
+COORDS  5.0373800000e-01 -9.5532500000e-01 -9.6548300000e-01  5.2485000000e-02 -1.0584180000e+00 -1.8033220000e+00  1.1990700000e+00 -1.6128730000e+00 -9.8489800000e-01 -5.0760000000e-01  1.0688440000e+00  1.0071080000e+00 -9.1951300000e-01  5.8837600000e-01  1.7252380000e+00 -2.4902300000e-01  3.9137700000e-01  3.8228200000e-01
+ENERGY -1.526614549803e+02
+FORCES  2.2922000000e-03 -2.7767000000e-03 -2.9835000000e-03  2.5056000000e-03 -1.6120000000e-04  3.9509000000e-03 -3.6059000000e-03  2.2397000000e-03 -1.2589000000e-03  1.9679000000e-03 -7.4030000000e-03 -3.1700000000e-03  1.3668000000e-03  1.3564000000e-03 -2.2172000000e-03 -4.5267000000e-03  6.7449000000e-03  5.6787000000e-03
+
+JOB 41
+COORDS  6.8209000000e-02 -3.2553000000e-02 -1.5514050000e+00  9.4859600000e-01  1.9543800000e-01 -1.8500200000e+00  1.0761400000e-01  5.5092000000e-02 -5.9904100000e-01 -1.3687200000e-01  4.0595000000e-02  1.4474500000e+00  6.7817000000e-01  2.0690300000e-01  1.9210320000e+00 -6.4630300000e-01 -5.1742900000e-01  2.0350900000e+00
+ENERGY -1.526607207976e+02
+FORCES  1.3893000000e-03  8.6060000000e-04  7.6130000000e-03 -2.5685000000e-03 -6.6820000000e-04  1.8312000000e-03  2.4646000000e-03  5.4390000000e-04 -1.0131700000e-02 -8.4400000000e-04 -2.7509000000e-03  4.7677000000e-03 -3.6276000000e-03 -1.0590000000e-03 -2.8212000000e-03  3.1862000000e-03  3.0735000000e-03 -1.2589000000e-03
+
+JOB 42
+COORDS  3.2318500000e-01 -1.0050950000e+00 -1.2044710000e+00  3.4681800000e-01 -2.5729000000e-01 -6.0742700000e-01 -4.4408000000e-01 -1.5072430000e+00 -9.2991000000e-01 -2.7276800000e-01  9.3363200000e-01  1.1248670000e+00 -1.0774800000e-01  1.1243760000e+00  2.0482400000e+00 -5.5045100000e-01  1.7707040000e+00  7.5279800000e-01
+ENERGY -1.526603313660e+02
+FORCES -3.4935000000e-03  2.8472000000e-03  7.8764000000e-03  1.0903000000e-03 -3.0336000000e-03 -7.6997000000e-03  2.3555000000e-03  6.3930000000e-04 -1.9772000000e-03 -1.6840000000e-04  3.8188000000e-03  4.4819000000e-03 -1.6477000000e-03  1.7530000000e-04 -4.0913000000e-03  1.8637000000e-03 -4.4470000000e-03  1.4099000000e-03
+
+JOB 43
+COORDS  5.5286000000e-02 -2.1110100000e-01  1.6026900000e+00  5.7111100000e-01  3.7725400000e-01  1.0513330000e+00 -4.1857600000e-01 -7.6634300000e-01  9.8350200000e-01 -3.6044000000e-02  1.8927300000e-01 -1.5892660000e+00  3.1300200000e-01  9.4116000000e-01 -1.1106590000e+00 -7.5157700000e-01 -1.3296300000e-01 -1.0411710000e+00
+ENERGY -1.526507962286e+02
+FORCES  2.4926000000e-03 -1.8339000000e-03 -5.9087000000e-03 -3.3623000000e-03  1.9210000000e-04  1.0074000000e-03 -7.1350000000e-04  3.8938000000e-03  7.5210000000e-04 -2.7517000000e-03  3.2848000000e-03  3.4360000000e-03 -1.7790000000e-04 -4.6574000000e-03  3.3210000000e-04  4.5127000000e-03 -8.7950000000e-04  3.8110000000e-04
+
+JOB 44
+COORDS -8.8332900000e-01  1.2920190000e+00 -3.5351400000e-01 -1.5947220000e+00  1.0888330000e+00  2.5383000000e-01 -1.5586500000e-01  7.4145600000e-01 -6.3841000000e-02  8.4956700000e-01 -1.2253110000e+00  3.5427800000e-01  6.3084600000e-01 -2.0284590000e+00 -1.1831700000e-01  1.6367190000e+00 -8.9766100000e-01 -8.0772000000e-02
+ENERGY -1.526593094073e+02
+FORCES  1.5012000000e-03 -7.3669000000e-03  5.1558000000e-03  1.5286000000e-03  1.3665000000e-03 -2.3869000000e-03 -1.4645000000e-03  7.6554000000e-03 -2.9677000000e-03  1.9247000000e-03 -5.1373000000e-03 -4.2190000000e-03  1.8554000000e-03  3.2558000000e-03  2.5015000000e-03 -5.3453000000e-03  2.2660000000e-04  1.9162000000e-03
+
+JOB 45
+COORDS -1.1499090000e+00  2.1728000000e-02  1.1291890000e+00 -4.2015600000e-01  5.7146500000e-01  8.4373800000e-01 -1.7596030000e+00  3.0073000000e-02  3.9133000000e-01  1.1489170000e+00  1.1368000000e-02 -1.0797110000e+00  5.0034600000e-01 -6.2443900000e-01 -1.3819310000e+00  1.7097770000e+00 -4.8340700000e-01 -4.8233000000e-01
+ENERGY -1.526577921333e+02
+FORCES  2.4784000000e-03  4.0278000000e-03 -6.1319000000e-03 -4.2841000000e-03 -2.4532000000e-03  4.4153000000e-03  2.0420000000e-03 -1.2392000000e-03  2.4604000000e-03  1.1910000000e-04 -7.1352000000e-03  7.9750000000e-04  2.1192000000e-03  3.6912000000e-03  8.4940000000e-04 -2.4746000000e-03  3.1086000000e-03 -2.3906000000e-03
+
+JOB 46
+COORDS -6.9620600000e-01 -1.3682590000e+00 -1.0703000000e-01 -1.5900030000e+00 -1.2768650000e+00 -4.3718900000e-01 -6.1906500000e-01 -2.2940420000e+00  1.2363800000e-01  7.4142000000e-01  1.4696630000e+00  7.9318000000e-02  1.1399390000e+00  1.2820580000e+00  9.2915300000e-01  2.9112700000e-01  6.5923200000e-01 -1.5873500000e-01
+ENERGY -1.526602544043e+02
+FORCES -3.0160000000e-03 -5.2270000000e-03  5.1000000000e-06  4.4298000000e-03 -4.3530000000e-04  1.4866000000e-03 -1.4660000000e-03  3.7555000000e-03 -1.0415000000e-03 -1.4003000000e-03 -7.7214000000e-03  2.5117000000e-03 -6.6510000000e-04  1.4537000000e-03 -2.5191000000e-03  2.1176000000e-03  8.1746000000e-03 -4.4270000000e-04
+
+JOB 47
+COORDS -9.4991500000e-01 -9.6495200000e-01  9.6144200000e-01 -1.3915770000e+00 -2.1373500000e-01  1.3574730000e+00 -1.0219870000e+00 -8.1608500000e-01  1.8640000000e-02  9.5318600000e-01  8.8677900000e-01 -9.8210700000e-01  1.3510290000e+00  1.7563610000e+00 -1.0243050000e+00  9.6737700000e-01  6.6125500000e-01 -5.1962000000e-02
+ENERGY -1.526584037305e+02
+FORCES -4.5588000000e-03  2.3310000000e-03 -3.6872000000e-03  3.0249000000e-03 -2.7126000000e-03 -1.2916000000e-03  5.6160000000e-04 -1.1007000000e-03  5.9700000000e-03  3.0685000000e-03  1.9273000000e-03  3.8619000000e-03 -1.7279000000e-03 -3.5320000000e-03  8.4550000000e-04 -3.6830000000e-04  3.0868000000e-03 -5.6986000000e-03
+
+JOB 48
+COORDS  9.9799900000e-01  1.2804770000e+00 -3.4441000000e-01  6.4107500000e-01  4.1145600000e-01 -5.2781900000e-01  1.9462360000e+00  1.1701360000e+00 -4.1443800000e-01 -9.6185800000e-01 -1.2203620000e+00  3.7497600000e-01 -1.7042140000e+00 -8.3867200000e-01  8.4343300000e-01 -1.3566070000e+00 -1.6819610000e+00 -3.6484200000e-01
+ENERGY -1.526587929801e+02
+FORCES  2.9270000000e-04 -6.1090000000e-03  6.4710000000e-04  4.5869000000e-03  6.4542000000e-03 -2.8486000000e-03 -3.4675000000e-03  1.5770000000e-04  1.2580000000e-04 -6.7472000000e-03 -5.5150000000e-04  1.6820000000e-03  2.7360000000e-03 -2.7627000000e-03 -2.3933000000e-03  2.5990000000e-03  2.8113000000e-03  2.7871000000e-03
+
+JOB 49
+COORDS -4.7157600000e-01 -7.8023200000e-01  1.3914890000e+00 -1.8292900000e-01 -1.6253690000e+00  1.0470200000e+00  3.1022600000e-01 -4.0752700000e-01  1.7990530000e+00  4.1722500000e-01  7.8179000000e-01 -1.4606090000e+00  2.9651000000e-01  3.0523700000e-01 -6.3929400000e-01  4.2061000000e-01  1.7041230000e+00 -1.2046370000e+00
+ENERGY -1.526578412756e+02
+FORCES  2.3835000000e-03 -4.9444000000e-03  4.4595000000e-03 -8.3360000000e-04  5.3910000000e-03  7.8720000000e-04 -3.6811000000e-03 -7.3590000000e-04 -4.2593000000e-03 -3.1909000000e-03  9.7670000000e-04  6.0553000000e-03  4.7604000000e-03  2.6145000000e-03 -6.1559000000e-03  5.6170000000e-04 -3.3019000000e-03 -8.8680000000e-04
+
+JOB 50
+COORDS  5.0712000000e-01 -1.0047500000e+00 -1.2212620000e+00  1.2844270000e+00 -4.5899100000e-01 -1.1022110000e+00  7.7937300000e-01 -1.8761690000e+00 -9.3361900000e-01 -5.3342000000e-01  9.8919300000e-01  1.2424800000e+00 -8.1333500000e-01  1.9045490000e+00  1.2408000000e+00 -8.9656400000e-01  6.2570400000e-01  4.3487000000e-01
+ENERGY -1.526582322416e+02
+FORCES  5.7739000000e-03 -2.0260000000e-03  2.3806000000e-03 -3.4188000000e-03 -2.5413000000e-03 -1.5687000000e-03 -8.9490000000e-04  3.4845000000e-03 -1.6300000000e-03 -3.0200000000e-03  2.5190000000e-04 -4.2233000000e-03  1.4172000000e-03 -3.5767000000e-03 -4.2940000000e-04  1.4270000000e-04  4.4075000000e-03  5.4708000000e-03
+
+JOB 51
+COORDS -3.6225200000e-01  5.8081300000e-01  1.4775280000e+00 -3.3914100000e-01  1.1349910000e+00  2.2576460000e+00 -1.9773300000e-01 -3.0305600000e-01  1.8060720000e+00  3.4458300000e-01 -6.1679000000e-01 -1.5873920000e+00 -1.3403700000e-01  2.1151900000e-01 -1.6199370000e+00  9.3263900000e-01 -5.2487100000e-01 -8.3774400000e-01
+ENERGY -1.526570938593e+02
+FORCES -6.9960000000e-04 -1.4867000000e-03  5.8010000000e-03 -1.5200000000e-04 -2.5961000000e-03 -3.4185000000e-03  5.1330000000e-04  4.3124000000e-03 -1.6028000000e-03 -6.2770000000e-04  5.8700000000e-03  4.9492000000e-03  1.9236000000e-03 -3.4331000000e-03 -2.3386000000e-03 -9.5770000000e-04 -2.6665000000e-03 -3.3902000000e-03
+
+JOB 52
+COORDS -3.0012600000e-01  1.6611100000e+00 -4.2978200000e-01  2.1858700000e-01  2.0285430000e+00  2.8587300000e-01 -1.1991430000e+00  1.9258570000e+00 -2.3508100000e-01  3.6769900000e-01 -1.7007300000e+00  4.1537200000e-01  3.8834300000e-01 -1.8832430000e+00 -5.2404000000e-01 -5.4530000000e-01 -1.4774050000e+00  5.9645200000e-01
+ENERGY -1.526546428952e+02
+FORCES  1.4090000000e-04  2.7889000000e-03  4.2869000000e-03 -2.7374000000e-03 -6.4790000000e-04 -3.1628000000e-03  3.4795000000e-03 -2.0807000000e-03 -7.1230000000e-04 -3.8975000000e-03  2.9922000000e-03 -4.6218000000e-03  7.1000000000e-05 -8.0470000000e-04  3.8097000000e-03  2.9436000000e-03 -2.2478000000e-03  4.0020000000e-04
+
+JOB 53
+COORDS  1.1156690000e+00  1.3267440000e+00  6.6567600000e-01  6.3994100000e-01  5.0508400000e-01  5.4406000000e-01  1.1547810000e+00  1.4431670000e+00  1.6149640000e+00 -1.0891460000e+00 -1.2282760000e+00 -7.4799900000e-01 -7.4129400000e-01 -2.0796220000e+00 -1.0134020000e+00 -1.4636120000e+00 -1.3818670000e+00  1.1942100000e-01
+ENERGY -1.526562458147e+02
+FORCES -2.5308000000e-03 -3.4134000000e-03  1.4419000000e-03  3.6611000000e-03  4.6835000000e-03  3.8224000000e-03 -4.6020000000e-04 -8.0540000000e-04 -3.6506000000e-03 -2.3690000000e-03 -6.0007000000e-03  3.2600000000e-05 -1.6184000000e-03  3.9138000000e-03  1.6034000000e-03  3.3173000000e-03  1.6222000000e-03 -3.2497000000e-03
+
+JOB 54
+COORDS -9.6425600000e-01  1.0094400000e-01 -1.6063410000e+00 -4.7176500000e-01  1.3211400000e-01 -7.8615100000e-01 -1.4532910000e+00 -7.2068300000e-01 -1.5615470000e+00  9.0536300000e-01 -7.4692000000e-02  1.5480750000e+00  1.3990660000e+00 -2.1510000000e-02  2.3664030000e+00  1.5146690000e+00  2.3818400000e-01  8.7943000000e-01
+ENERGY -1.526567389574e+02
+FORCES -7.6530000000e-04 -3.6260000000e-03  5.2083000000e-03 -4.1830000000e-04  7.3490000000e-04 -5.9552000000e-03  1.6420000000e-03  3.1713000000e-03 -9.0200000000e-04  5.6740000000e-03  1.5254000000e-03  3.3102000000e-03 -1.6078000000e-03 -2.6360000000e-04 -3.5859000000e-03 -4.5246000000e-03 -1.5420000000e-03  1.9246000000e-03
+
+JOB 55
+COORDS  1.5101030000e+00 -1.1019690000e+00  4.4402000000e-02  1.5887220000e+00 -1.8410070000e+00  6.4762200000e-01  8.5083900000e-01 -5.3482900000e-01  4.4434500000e-01 -1.4845860000e+00  1.1757610000e+00 -1.3585600000e-01 -1.0265970000e+00  9.9554000000e-01  6.8511900000e-01 -1.7936990000e+00  3.1935000000e-01 -4.3122200000e-01
+ENERGY -1.526526131036e+02
+FORCES -1.4147000000e-03 -3.7440000000e-04  3.6182000000e-03 -7.7510000000e-04  3.3910000000e-03 -2.6853000000e-03  1.5361000000e-03 -2.6631000000e-03 -2.1490000000e-04 -1.1039000000e-03 -3.4528000000e-03  1.2665000000e-03  3.2900000000e-05 -8.7740000000e-04 -4.1060000000e-03  1.7247000000e-03  3.9767000000e-03  2.1215000000e-03
+
+JOB 56
+COORDS -1.8240580000e+00  1.9089000000e-02 -4.5980600000e-01 -1.9175790000e+00 -7.4437600000e-01  1.0993700000e-01 -1.2612490000e+00 -2.8145700000e-01 -1.1733530000e+00  1.7348710000e+00  4.1648000000e-02  4.6326400000e-01  2.3438680000e+00 -6.4661900000e-01  1.9560400000e-01  2.2935150000e+00  7.2743900000e-01  8.2910600000e-01
+ENERGY -1.526541779824e+02
+FORCES  4.6426000000e-03 -3.9402000000e-03  4.5450000000e-04 -7.4610000000e-04  2.5762000000e-03 -2.4569000000e-03 -3.6579000000e-03  6.4370000000e-04  1.6247000000e-03  5.0149000000e-03  1.2894000000e-03  1.1619000000e-03 -3.2306000000e-03  2.6119000000e-03  7.6200000000e-04 -2.0230000000e-03 -3.1810000000e-03 -1.5462000000e-03
+
+JOB 57
+COORDS  1.1948890000e+00  1.3714050000e+00 -4.5061200000e-01  1.4781610000e+00  6.2110700000e-01 -9.7314600000e-01  1.9485330000e+00  1.9615340000e+00 -4.4979000000e-01 -1.2270770000e+00 -1.4191720000e+00  4.4454200000e-01 -1.9376810000e+00 -8.1655400000e-01  2.2516600000e-01 -8.8323800000e-01 -1.0922720000e+00  1.2758920000e+00
+ENERGY -1.526559306518e+02
+FORCES  4.1568000000e-03 -1.3629000000e-03 -2.7798000000e-03 -3.0960000000e-04  4.0721000000e-03  2.0138000000e-03 -3.1170000000e-03 -2.4976000000e-03  1.2470000000e-04 -1.1010000000e-03  5.2867000000e-03  2.6304000000e-03  2.2040000000e-03 -3.0981000000e-03  8.8110000000e-04 -1.8332000000e-03 -2.4002000000e-03 -2.8702000000e-03
+
+JOB 58
+COORDS -1.2923320000e+00  1.4275710000e+00  9.7058000000e-02 -1.9276120000e+00  7.8945900000e-01 -2.2769500000e-01 -1.5424040000e+00  1.5720860000e+00  1.0096430000e+00  1.2936800000e+00 -1.4434520000e+00 -1.3367000000e-01  1.3085290000e+00 -5.7846800000e-01  2.7598100000e-01  2.1560260000e+00 -1.5315520000e+00 -5.3966200000e-01
+ENERGY -1.526561770036e+02
+FORCES -4.9341000000e-03 -2.2510000000e-03  1.5717000000e-03  2.2402000000e-03  3.3591000000e-03  1.6624000000e-03  1.5927000000e-03 -7.0990000000e-04 -3.6843000000e-03  2.9781000000e-03  4.3394000000e-03 -2.5980000000e-04  1.4452000000e-03 -5.0181000000e-03 -9.1020000000e-04 -3.3220000000e-03  2.8050000000e-04  1.6201000000e-03
+
+JOB 59
+COORDS  3.1381600000e-01 -1.0392140000e+00 -1.6071320000e+00 -4.4010000000e-02 -1.4000710000e+00 -2.4182880000e+00  5.2717000000e-02 -1.1838200000e-01 -1.6184060000e+00 -2.3084600000e-01  1.0372880000e+00  1.6128340000e+00 -5.4136300000e-01  1.3205760000e+00  2.4728110000e+00 -7.2398600000e-01  2.3725500000e-01  1.4311970000e+00
+ENERGY -1.526557139814e+02
+FORCES -1.4861000000e-03  2.9522000000e-03 -3.9250000000e-03  1.4016000000e-03  1.4732000000e-03  3.4180000000e-03  2.6400000000e-04 -4.9039000000e-03 -3.1570000000e-04 -2.7156000000e-03 -2.8612000000e-03  3.4129000000e-03  1.1866000000e-03 -1.2296000000e-03 -3.4549000000e-03  1.3496000000e-03  4.5693000000e-03  8.6480000000e-04
+
+JOB 60
+COORDS -4.5979200000e-01  1.2628380000e+00  1.4946730000e+00 -3.5464100000e-01  2.2103660000e+00  1.5804930000e+00 -1.8956600000e-01  1.0717610000e+00  5.9650900000e-01  4.1822300000e-01 -1.2691540000e+00 -1.3959080000e+00  1.9347800000e-01 -1.0170630000e+00 -2.2915480000e+00  9.8557100000e-01 -2.0334490000e+00 -1.4969140000e+00
+ENERGY -1.526559911554e+02
+FORCES  1.8981000000e-03  1.5871000000e-03 -4.0554000000e-03 -4.2870000000e-04 -3.6497000000e-03 -4.0810000000e-04 -1.7549000000e-03  3.3109000000e-03  4.7058000000e-03  1.6896000000e-03 -3.9273000000e-03 -4.0851000000e-03  1.0452000000e-03 -5.1400000000e-04  4.0032000000e-03 -2.4492000000e-03  3.1929000000e-03 -1.6040000000e-04
+
+JOB 61
+COORDS -1.5713600000e-01  2.8693800000e-01  2.0460530000e+00  2.3247800000e-01  9.0262600000e-01  1.4252780000e+00 -9.4527000000e-02  7.2828300000e-01  2.8931220000e+00  1.5323900000e-01 -4.0778200000e-01 -2.0870670000e+00  6.5343900000e-01  3.7404000000e-01 -1.8530050000e+00 -7.5239300000e-01 -1.8745200000e-01 -1.8690810000e+00
+ENERGY -1.526533656876e+02
+FORCES  2.3191000000e-03  3.9457000000e-03  1.4915000000e-03 -1.9848000000e-03 -2.1008000000e-03  1.9362000000e-03 -2.7960000000e-04 -1.8756000000e-03 -3.6597000000e-03 -2.1195000000e-03  3.2806000000e-03  1.9463000000e-03 -2.0064000000e-03 -2.8421000000e-03 -3.6250000000e-04  4.0712000000e-03 -4.0790000000e-04 -1.3517000000e-03
+
+JOB 62
+COORDS -2.0897090000e+00  2.2839000000e-02 -2.9082900000e-01 -2.7197350000e+00 -2.8165300000e-01  3.6230400000e-01 -1.3887100000e+00 -6.2862200000e-01 -2.7005600000e-01  2.0258850000e+00  9.1980000000e-03  2.6563500000e-01  2.6504300000e+00 -4.0894100000e-01 -3.2710000000e-01  2.4952040000e+00  7.6794500000e-01  6.1244200000e-01
+ENERGY -1.526552898487e+02
+FORCES  1.7930000000e-03 -3.7148000000e-03  3.0292000000e-03  2.2827000000e-03  1.2446000000e-03 -2.5705000000e-03 -4.6082000000e-03  1.8642000000e-03 -6.4910000000e-04  4.7720000000e-03  2.5065000000e-03 -8.8740000000e-04 -2.7834000000e-03  1.5025000000e-03  2.4659000000e-03 -1.4561000000e-03 -3.4030000000e-03 -1.3881000000e-03
+
+JOB 63
+COORDS  6.9675600000e-01 -1.9872100000e+00 -5.0646600000e-01 -1.4125000000e-02 -2.4352210000e+00 -9.6490400000e-01  5.4013500000e-01 -1.0573890000e+00 -6.7118600000e-01 -7.0643900000e-01  1.9323030000e+00  5.3303700000e-01  1.4615500000e-01  1.6750530000e+00  1.8212800000e-01 -5.2257100000e-01  2.7039920000e+00  1.0686870000e+00
+ENERGY -1.526538252451e+02
+FORCES -4.7299000000e-03  1.7106000000e-03 -2.3183000000e-03  3.2424000000e-03  1.5494000000e-03  1.7187000000e-03  1.9027000000e-03 -2.8616000000e-03  6.1050000000e-04  4.3126000000e-03  3.1118000000e-03  1.9049000000e-03 -3.8559000000e-03 -3.7660000000e-04  4.6270000000e-04 -8.7190000000e-04 -3.1336000000e-03 -2.3785000000e-03
+
+JOB 64
+COORDS  1.3702700000e-01 -1.6276020000e+00  1.6090410000e+00  1.0748000000e-02 -2.2494060000e+00  8.9235000000e-01 -4.8666000000e-01 -9.2412900000e-01  1.4291200000e+00 -1.1700600000e-01  1.6577110000e+00 -1.4993300000e+00  7.7970400000e-01  1.5798980000e+00 -1.8250400000e+00 -6.4799600000e-01  1.1904870000e+00 -2.1442980000e+00
+ENERGY -1.526548839378e+02
+FORCES -3.1030000000e-03  1.2988000000e-03 -3.8468000000e-03  5.8050000000e-04  2.2077000000e-03  2.7654000000e-03  2.2367000000e-03 -3.8487000000e-03  1.2906000000e-03  2.2043000000e-03 -1.4658000000e-03 -4.4013000000e-03 -3.9817000000e-03  2.9630000000e-04  1.1107000000e-03  2.0632000000e-03  1.5118000000e-03  3.0813000000e-03
+
+JOB 65
+COORDS  2.5591000000e-02  1.7147500000e+00  1.4599750000e+00  4.3232600000e-01  2.3955520000e+00  1.9959860000e+00  3.6988000000e-01  1.8648310000e+00  5.7953600000e-01 -5.9399000000e-02 -1.7048700000e+00 -1.4737140000e+00 -8.5994900000e-01 -2.0148670000e+00 -1.0503320000e+00  5.8266300000e-01 -2.3950880000e+00 -1.3076200000e+00
+ENERGY -1.526549340554e+02
+FORCES  3.1149000000e-03  3.0110000000e-03 -2.1236000000e-03 -1.6010000000e-03 -2.7808000000e-03 -2.0887000000e-03 -1.3488000000e-03  2.2750000000e-04  4.2124000000e-03 -9.1320000000e-04 -4.1382000000e-03  3.0789000000e-03  3.2702000000e-03  9.3570000000e-04 -2.1874000000e-03 -2.5221000000e-03  2.7448000000e-03 -8.9170000000e-04
+
+JOB 66
+COORDS  1.4699190000e+00  9.3331200000e-01 -1.4585380000e+00  7.5807400000e-01  4.4853000000e-01 -1.8762640000e+00  2.2660850000e+00  5.8035800000e-01 -1.8557470000e+00 -1.4165410000e+00 -9.3670600000e-01  1.5103910000e+00 -2.2345660000e+00 -9.5302600000e-01  2.0071820000e+00 -1.5283310000e+00 -2.1854800000e-01  8.8750800000e-01
+ENERGY -1.526541477056e+02
+FORCES  1.0946000000e-03 -3.9884000000e-03 -3.1789000000e-03  2.3315000000e-03  2.4075000000e-03  1.9416000000e-03 -3.2580000000e-03  1.6406000000e-03  1.3793000000e-03 -3.3485000000e-03  3.4696000000e-03 -1.4730000000e-04  3.3372000000e-03 -1.1600000000e-05 -2.0550000000e-03 -1.5680000000e-04 -3.5176000000e-03  2.0603000000e-03
+
+JOB 67
+COORDS -5.9640100000e-01 -2.2584740000e+00 -4.9129000000e-02 -4.1416500000e-01 -1.4445120000e+00  4.2043400000e-01  2.0614300000e-01 -2.4377480000e+00 -5.3904300000e-01  5.5950800000e-01  2.2675070000e+00  7.2084000000e-02  4.2692900000e-01  1.3865950000e+00  4.2229500000e-01  2.6901000000e-01  2.2101260000e+00 -8.3816300000e-01
+ENERGY -1.526528106502e+02
+FORCES  4.0817000000e-03  1.4201000000e-03  2.0520000000e-04 -4.8290000000e-04 -2.1286000000e-03 -2.4351000000e-03 -3.5966000000e-03  1.2074000000e-03  2.1015000000e-03 -2.0491000000e-03 -3.0422000000e-03 -2.6081000000e-03  5.6580000000e-04  2.4871000000e-03 -1.3391000000e-03  1.4811000000e-03  5.6200000000e-05  4.0756000000e-03
+
+JOB 68
+COORDS -4.2499800000e-01  1.9683490000e+00 -1.0841210000e+00 -1.3821900000e+00  1.9646550000e+00 -1.0829830000e+00 -1.8796400000e-01  2.8355340000e+00 -7.5543100000e-01  4.1745300000e-01 -1.9920660000e+00  1.1194490000e+00  9.7037200000e-01 -2.7733060000e+00  1.1327370000e+00  5.6777600000e-01 -1.6063150000e+00  2.5641300000e-01
+ENERGY -1.526552313752e+02
+FORCES -3.1286000000e-03  3.9177000000e-03  1.8079000000e-03  3.9968000000e-03  4.8800000000e-05 -2.4350000000e-04 -1.0313000000e-03 -3.4290000000e-03 -1.5599000000e-03  2.8684000000e-03 -7.9990000000e-04 -3.8475000000e-03 -2.1927000000e-03  3.0627000000e-03  2.2000000000e-06 -5.1260000000e-04 -2.8003000000e-03  3.8408000000e-03
+
+JOB 69
+COORDS -6.5970400000e-01  1.6535950000e+00 -1.6116770000e+00 -1.1749500000e-01  2.0172300000e+00 -2.3116850000e+00 -8.3421400000e-01  2.3958930000e+00 -1.0330830000e+00  5.9362400000e-01 -1.7066550000e+00  1.6774560000e+00  5.7450700000e-01 -1.2448610000e+00  8.3923600000e-01  1.3189640000e+00 -2.3256390000e+00  1.5939540000e+00
+ENERGY -1.526552990007e+02
+FORCES  9.0390000000e-04  5.1668000000e-03 -7.3360000000e-04 -2.1113000000e-03 -1.6367000000e-03  2.9819000000e-03  9.1340000000e-04 -3.1273000000e-03 -2.5359000000e-03  2.3950000000e-03 -3.1900000000e-04 -4.2904000000e-03  6.8500000000e-04 -2.5122000000e-03  4.1752000000e-03 -2.7859000000e-03  2.4285000000e-03  4.0270000000e-04
+
+JOB 70
+COORDS  3.2222000000e-02 -2.3988550000e+00  6.8452200000e-01 -8.3748400000e-01 -2.7766930000e+00  5.5381900000e-01  1.3436000000e-02 -1.5776450000e+00  1.9310200000e-01  2.1370000000e-03  2.4376690000e+00 -6.5236200000e-01 -5.2846800000e-01  1.6904260000e+00 -3.7610700000e-01  8.4441100000e-01  2.0557410000e+00 -8.9921600000e-01
+ENERGY -1.526530031920e+02
+FORCES -3.7707000000e-03  1.0389000000e-03 -2.4342000000e-03  3.7352000000e-03  1.8266000000e-03  5.2240000000e-04  5.6000000000e-05 -2.5026000000e-03  1.9630000000e-03  1.5160000000e-03 -3.8221000000e-03  3.0510000000e-04  2.3877000000e-03  2.2816000000e-03 -1.4054000000e-03 -3.9242000000e-03  1.1775000000e-03  1.0491000000e-03
+
+JOB 71
+COORDS -1.0104320000e+00  2.2791810000e+00  2.7077000000e-01 -1.0789160000e+00  2.1194230000e+00  1.2120560000e+00 -1.1163890000e+00  1.4152930000e+00 -1.2760500000e-01  1.0435010000e+00 -2.1805960000e+00 -2.5300100000e-01  7.7170000000e-01 -3.0969110000e+00 -2.0082000000e-01  9.1973500000e-01 -1.9455580000e+00 -1.1726050000e+00
+ENERGY -1.526547018283e+02
+FORCES -1.4600000000e-04 -4.7015000000e-03  2.6138000000e-03 -4.9700000000e-05  1.0151000000e-03 -3.7353000000e-03 -9.6000000000e-06  3.8657000000e-03  1.0184000000e-03 -7.8310000000e-04 -3.3689000000e-03 -3.7285000000e-03  1.0032000000e-03  3.9230000000e-03 -2.0060000000e-04 -1.4700000000e-05 -7.3350000000e-04  4.0323000000e-03
+
+JOB 72
+COORDS -8.6976900000e-01 -2.2017930000e+00  7.8789200000e-01 -1.5920930000e+00 -2.5888070000e+00  2.9322000000e-01 -3.9061400000e-01 -1.6798740000e+00  1.4427500000e-01  9.2398800000e-01  2.1375450000e+00 -7.2178300000e-01  1.5869000000e-01  2.2790330000e+00 -1.2790370000e+00  1.0026090000e+00  2.9443130000e+00 -2.1268900000e-01
+ENERGY -1.526547390312e+02
+FORCES -3.5470000000e-04  9.5990000000e-04 -4.5868000000e-03  2.7799000000e-03  1.6140000000e-03  1.9606000000e-03 -2.6162000000e-03 -2.8780000000e-03  2.4952000000e-03 -2.5529000000e-03  4.5590000000e-03  2.3960000000e-04  3.0852000000e-03 -1.0457000000e-03  2.2259000000e-03 -3.4120000000e-04 -3.2091000000e-03 -2.3344000000e-03
+
+JOB 73
+COORDS -9.4875800000e-01  1.9031840000e+00 -1.1969510000e+00 -1.3320790000e+00  2.3991710000e+00 -1.9203420000e+00 -2.4640800000e-01  2.4637370000e+00 -8.6723000000e-01  9.5088700000e-01 -1.9112930000e+00  1.1705600000e+00  1.4983980000e+00 -2.3544010000e+00  1.8187260000e+00  7.3027000000e-02 -2.2637530000e+00  1.3167330000e+00
+ENERGY -1.526538607419e+02
+FORCES  1.9368000000e-03  4.0136000000e-03 -1.4125000000e-03  1.4513000000e-03 -2.0593000000e-03  2.9468000000e-03 -3.1609000000e-03 -1.8465000000e-03 -1.5042000000e-03 -1.9503000000e-03 -3.0705000000e-03  2.9203000000e-03 -2.1156000000e-03  1.9031000000e-03 -2.6567000000e-03  3.8387000000e-03  1.0595000000e-03 -2.9370000000e-04
+
+JOB 74
+COORDS  3.4622400000e-01 -6.9980600000e-01 -2.4845620000e+00  1.1013130000e+00 -7.7140200000e-01 -3.0684680000e+00 -2.9594500000e-01 -1.3102860000e+00 -2.8467290000e+00 -3.9822000000e-01  7.3271100000e-01  2.5991560000e+00 -5.2359000000e-01  3.8175700000e-01  1.7174840000e+00  4.3710200000e-01  1.1980910000e+00  2.5556760000e+00
+ENERGY -1.526552202766e+02
+FORCES  5.1680000000e-04 -2.8990000000e-03 -4.3501000000e-03 -3.1165000000e-03  2.8100000000e-04  2.4095000000e-03  2.6738000000e-03  2.5335000000e-03  1.5736000000e-03  2.9783000000e-03  3.6040000000e-04 -4.3995000000e-03  2.0850000000e-04  1.4551000000e-03  4.2517000000e-03 -3.2609000000e-03 -1.7311000000e-03  5.1480000000e-04
+
+JOB 75
+COORDS -1.3260800000e-01 -1.2693480000e+00 -2.3896160000e+00 -3.7063900000e-01 -2.1282140000e+00 -2.7387900000e+00  5.2357800000e-01 -1.4566400000e+00 -1.7183690000e+00  8.9243000000e-02  1.3211760000e+00  2.4252110000e+00  8.4909600000e-01  1.8642230000e+00  2.2155540000e+00 -2.7523000000e-01  1.0794300000e+00  1.5737710000e+00
+ENERGY -1.526545898323e+02
+FORCES  1.6604000000e-03 -4.7972000000e-03  8.6000000000e-04  1.0475000000e-03  3.5577000000e-03  1.4352000000e-03 -2.8327000000e-03  1.2472000000e-03 -2.5270000000e-03  1.2086000000e-03  1.6142000000e-03 -4.4450000000e-03 -2.9583000000e-03 -2.3719000000e-03  8.9910000000e-04  1.8744000000e-03  7.4990000000e-04  3.7777000000e-03
+
+JOB 76
+COORDS -1.2667000000e-02 -2.0448920000e+00 -1.9279730000e+00 -8.8867600000e-01 -2.3142020000e+00 -1.6517240000e+00  5.5243300000e-01 -2.7770470000e+00 -1.6813080000e+00  4.0090000000e-02  2.1125370000e+00  1.9624730000e+00 -1.1412700000e-01  1.2936670000e+00  1.4914100000e+00  3.5403000000e-02  2.7855110000e+00  1.2818000000e+00
+ENERGY -1.526547570660e+02
+FORCES -1.1490000000e-03 -4.6490000000e-03  1.6364000000e-03  3.6570000000e-03  1.4110000000e-03 -9.0630000000e-04 -2.4105000000e-03  3.1096000000e-03 -9.3470000000e-04 -4.2160000000e-04 -7.1500000000e-04 -5.0879000000e-03  3.8490000000e-04  3.3824000000e-03  2.3792000000e-03 -6.0800000000e-05 -2.5389000000e-03  2.9132000000e-03
+
+JOB 77
+COORDS -2.5914300000e-01  3.0034410000e+00 -1.1157700000e-01 -2.3354000000e-02  3.9281940000e+00 -1.8551500000e-01 -1.1697230000e+00  2.9638280000e+00 -4.0399200000e-01  2.7486000000e-01 -3.1080970000e+00  1.7168500000e-01 -1.4102300000e-01 -2.2490250000e+00  9.9099000000e-02  1.0249350000e+00 -3.0624770000e+00 -4.2122100000e-01
+ENERGY -1.526545550395e+02
+FORCES -2.7056000000e-03  4.0227000000e-03 -1.3334000000e-03 -1.0134000000e-03 -3.8001000000e-03  2.4770000000e-04  3.7815000000e-03 -8.1700000000e-05  1.1407000000e-03  1.5449000000e-03  4.0911000000e-03 -2.5537000000e-03  1.4308000000e-03 -3.8231000000e-03  1.8490000000e-04 -3.0383000000e-03 -4.0900000000e-04  2.3137000000e-03
+
+JOB 78
+COORDS  9.8337800000e-01  2.4045220000e+00 -1.6787630000e+00  1.5522420000e+00  2.1028430000e+00 -2.3870110000e+00  2.2731300000e-01  2.7865910000e+00 -2.1244330000e+00 -9.0948800000e-01 -2.4439600000e+00  1.7479560000e+00 -1.0777780000e+00 -1.5290280000e+00  1.5225440000e+00 -1.7678450000e+00 -2.7942120000e+00  1.9862380000e+00
+ENERGY -1.526543202234e+02
+FORCES -4.5000000000e-04  3.4260000000e-04 -4.8622000000e-03 -2.4086000000e-03  1.3254000000e-03  2.8696000000e-03  2.9696000000e-03 -1.6322000000e-03  1.9356000000e-03 -3.9491000000e-03  2.6065000000e-03  2.4000000000e-06  3.9640000000e-04 -4.0103000000e-03  1.0413000000e-03  3.4417000000e-03  1.3680000000e-03 -9.8680000000e-04
+
+JOB 79
+COORDS -3.6242100000e-01 -2.3811420000e+00  2.1158870000e+00 -9.2815900000e-01 -2.7172590000e+00  2.8110120000e+00  3.5991600000e-01 -1.9564970000e+00  2.5786370000e+00  3.9010500000e-01  2.3262110000e+00 -2.2075260000e+00  5.0253500000e-01  3.2649630000e+00 -2.3569830000e+00 -3.6685800000e-01  2.2649290000e+00 -1.6248740000e+00
+ENERGY -1.526540551187e+02
+FORCES  8.6500000000e-04  2.2740000000e-04  4.6468000000e-03  2.2589000000e-03  1.4364000000e-03 -2.8521000000e-03 -3.0815000000e-03 -1.6988000000e-03 -1.7963000000e-03 -2.7822000000e-03  3.2984000000e-03  1.8016000000e-03 -4.0990000000e-04 -3.7980000000e-03  6.2600000000e-04  3.1498000000e-03  5.3470000000e-04 -2.4260000000e-03
+
+JOB 80
+COORDS -1.4695450000e+00  2.8475080000e+00 -9.8873200000e-01 -2.3500240000e+00  2.5675620000e+00 -7.3849200000e-01 -1.4440150000e+00  2.7380760000e+00 -1.9393130000e+00  1.4715940000e+00 -2.7994020000e+00  9.8900100000e-01  1.9015550000e+00 -2.3671190000e+00  1.7269020000e+00  1.8054940000e+00 -3.6962630000e+00  1.0085410000e+00
+ENERGY -1.526540566019e+02
+FORCES -3.3706000000e-03 -1.9911000000e-03 -2.8497000000e-03  3.4965000000e-03  1.3219000000e-03 -1.0107000000e-03 -1.6340000000e-04  6.3200000000e-04  3.8163000000e-03  3.1662000000e-03 -1.6413000000e-03  3.1318000000e-03 -1.7292000000e-03 -1.9424000000e-03 -2.9677000000e-03 -1.3996000000e-03  3.6209000000e-03 -1.2000000000e-04
+
+JOB 81
+COORDS -1.5956000000e-02  3.0251510000e+00  2.0216890000e+00  1.1869500000e-01  2.7722570000e+00  2.9350050000e+00  5.8740800000e-01  2.4701700000e+00  1.5275440000e+00 -1.2597000000e-02 -2.9467710000e+00 -2.1017580000e+00 -6.3665200000e-01 -2.7570990000e+00 -1.4011790000e+00  4.2508100000e-01 -3.7508000000e+00 -1.8221010000e+00
+ENERGY -1.526541030472e+02
+FORCES  3.1265000000e-03 -3.1616000000e-03  1.5961000000e-03 -5.9780000000e-04  9.6250000000e-04 -3.7203000000e-03 -2.5426000000e-03  2.2092000000e-03  2.1504000000e-03 -9.4980000000e-04 -2.6180000000e-03  3.8433000000e-03  2.7029000000e-03 -7.4030000000e-04 -2.7852000000e-03 -1.7392000000e-03  3.3481000000e-03 -1.0842000000e-03
+
+JOB 82
+COORDS -7.1792000000e-02 -3.4958980000e+00 -1.4796860000e+00  1.3756400000e-01 -2.6791980000e+00 -1.0264720000e+00 -9.3600000000e-04 -3.2794120000e+00 -2.4093870000e+00  7.4421000000e-02  3.4329700000e+00  1.5675670000e+00 -7.4496900000e-01  3.1776710000e+00  1.1437110000e+00  5.9054100000e-01  3.8356710000e+00  8.6922400000e-01
+ENERGY -1.526540047472e+02
+FORCES  1.2496000000e-03  4.1338000000e-03 -1.8359000000e-03 -9.4400000000e-04 -3.2938000000e-03 -1.9778000000e-03 -3.2860000000e-04 -8.2620000000e-04  3.7866000000e-03 -1.3227000000e-03  8.7350000000e-04 -4.4218000000e-03  3.4525000000e-03  9.0170000000e-04  1.6462000000e-03 -2.1068000000e-03 -1.7890000000e-03  2.8026000000e-03
+
+JOB 83
+COORDS  9.4515900000e-01 -3.8056580000e+00 -5.3248400000e-01  6.4859400000e-01 -4.6552370000e+00 -2.0614600000e-01  1.8976300000e-01 -3.2285470000e+00 -4.2044800000e-01 -8.3890400000e-01  3.8481820000e+00  5.4376100000e-01 -1.6682480000e+00  4.2455590000e+00  2.7822000000e-01 -8.5596800000e-01  2.9740720000e+00  1.5405200000e-01
+ENERGY -1.526539236181e+02
+FORCES -4.2131000000e-03 -1.2359000000e-03  1.8706000000e-03  1.1848000000e-03  3.5015000000e-03 -1.3612000000e-03  3.0376000000e-03 -2.2253000000e-03 -5.1850000000e-04 -3.3491000000e-03 -1.8606000000e-03 -2.7365000000e-03  3.3691000000e-03 -1.6693000000e-03  1.1064000000e-03 -2.9300000000e-05  3.4897000000e-03  1.6391000000e-03
+
+JOB 84
+COORDS  3.9080000000e-03 -3.9327380000e+00 -1.7962560000e+00  3.8253600000e-01 -3.1097310000e+00 -1.4871730000e+00  2.1198000000e-01 -3.9568120000e+00 -2.7302570000e+00 -3.9646000000e-02  3.8329430000e+00  1.8813050000e+00 -4.0657200000e-01  4.7157180000e+00  1.9293240000e+00  3.3021000000e-01  3.7743730000e+00  1.0003920000e+00
+ENERGY -1.526540064345e+02
+FORCES  2.3782000000e-03  3.2611000000e-03 -2.4418000000e-03 -1.5212000000e-03 -3.3562000000e-03 -1.3610000000e-03 -8.4870000000e-04  1.1510000000e-04  3.7904000000e-03 -5.2000000000e-05  3.4507000000e-03 -3.3153000000e-03  1.5226000000e-03 -3.6166000000e-03 -2.2320000000e-04 -1.4788000000e-03  1.4590000000e-04  3.5508000000e-03
+
+JOB 85
+COORDS -2.9735500000e-01  1.0724030000e+00  4.3898100000e+00 -1.1014940000e+00  1.1249140000e+00  3.8732480000e+00  1.6820400000e-01  3.1603800000e-01  4.0328810000e+00  3.0375100000e-01 -9.7214700000e-01 -4.3259920000e+00  1.1466380000e+00 -1.3670310000e+00 -4.5492400000e+00 -3.2261400000e-01 -1.6934610000e+00 -4.3860310000e+00
+ENERGY -1.526541424049e+02
+FORCES -1.3572000000e-03 -2.8014000000e-03 -3.7005000000e-03  3.2426000000e-03 -2.4600000000e-04  2.1854000000e-03 -1.8933000000e-03  3.0308000000e-03  1.5314000000e-03  9.2310000000e-04 -4.5253000000e-03 -1.3169000000e-03 -3.4610000000e-03  1.5944000000e-03  9.6680000000e-04  2.5459000000e-03  2.9476000000e-03  3.3390000000e-04
+
+JOB 86
+COORDS  1.1498480000e+00  2.9757660000e+00  3.3525860000e+00  5.4756800000e-01  2.6784150000e+00  2.6706230000e+00  1.6315140000e+00  3.6979070000e+00  2.9491740000e+00 -1.1387770000e+00 -2.9767890000e+00 -3.2264390000e+00 -1.0253470000e+00 -2.4309670000e+00 -4.0045420000e+00 -1.3131470000e+00 -3.8526280000e+00 -3.5710150000e+00
+ENERGY -1.526541314420e+02
+FORCES -5.2110000000e-04  1.5972000000e-03 -4.4820000000e-03  2.4675000000e-03  1.3232000000e-03  2.8162000000e-03 -1.9469000000e-03 -2.8975000000e-03  1.6604000000e-03 -2.4870000000e-04 -1.4565000000e-03 -4.5838000000e-03 -4.5910000000e-04 -2.1654000000e-03  3.2012000000e-03  7.0820000000e-04  3.5990000000e-03  1.3880000000e-03
+
+JOB 87
+COORDS  6.1199500000e-01 -4.5244590000e+00 -1.1749220000e+00  1.1919750000e+00 -4.6850170000e+00 -1.9192850000e+00  5.6869000000e-01 -3.5707430000e+00 -1.1057710000e+00 -6.0972100000e-01  4.4189120000e+00  1.2062710000e+00 -3.1750500000e-01  5.1956110000e+00  1.6833260000e+00 -1.4929570000e+00  4.6378520000e+00  9.0930200000e-01
+ENERGY -1.526542083787e+02
+FORCES  2.2003000000e-03  3.3429000000e-03 -2.6863000000e-03 -2.3632000000e-03  6.0730000000e-04  3.0055000000e-03  1.6650000000e-04 -3.9713000000e-03 -3.3670000000e-04 -2.4372000000e-03  4.1009000000e-03  8.0840000000e-04 -1.1863000000e-03 -3.1686000000e-03 -1.9682000000e-03  3.6199000000e-03 -9.1130000000e-04  1.1774000000e-03
+
+JOB 88
+COORDS  7.0330000000e-02  4.1047360000e+00  3.7096870000e+00 -9.1072000000e-02  3.1942570000e+00  3.4622810000e+00 -7.0950400000e-01  4.3615710000e+00  4.2017510000e+00 -1.8631000000e-02 -4.0256050000e+00 -3.6709910000e+00  6.9390100000e-01 -4.5207220000e+00 -4.0752050000e+00 -7.9583600000e-01 -4.2698860000e+00 -4.1734960000e+00
+ENERGY -1.526541290376e+02
+FORCES -3.8281000000e-03 -2.7257000000e-03  9.3230000000e-04  6.4680000000e-04  3.7500000000e-03  1.0617000000e-03  3.1749000000e-03 -1.0213000000e-03 -1.9841000000e-03 -2.2950000000e-04 -3.0106000000e-03 -3.7368000000e-03 -2.9196000000e-03  2.0106000000e-03  1.6575000000e-03  3.1556000000e-03  9.9700000000e-04  2.0694000000e-03
+
+JOB 89
+COORDS  1.1287520000e+00  6.3074640000e+00  1.7028990000e+00  1.1143500000e+00  7.2230920000e+00  1.9815540000e+00  1.4224410000e+00  6.3382970000e+00  7.9239000000e-01 -1.1615100000e+00 -6.4203940000e+00 -1.6648170000e+00 -1.7163340000e+00 -5.6461010000e+00 -1.7590190000e+00 -2.7451200000e-01 -6.0710200000e+00 -1.5787760000e+00
+ENERGY -1.526541069165e+02
+FORCES  1.1439000000e-03  3.8999000000e-03 -2.5520000000e-03  5.8600000000e-05 -3.7429000000e-03 -1.1467000000e-03 -1.2031000000e-03 -1.5450000000e-04  3.7040000000e-03  1.3526000000e-03  4.6039000000e-03  5.3000000000e-06  2.2595000000e-03 -3.1688000000e-03  3.6120000000e-04 -3.6115000000e-03 -1.4377000000e-03 -3.7170000000e-04
+
+JOB 0
+COORDS  1.1777420000e+00 -1.1363000000e-02  3.8540600000e-01  1.9089610000e+00  6.0591500000e-01  4.0817200000e-01  9.9809100000e-01 -2.0463000000e-01  1.3055170000e+00 -1.2297860000e+00 -1.6013000000e-02 -5.0979300000e-01 -1.8198870000e+00 -1.9293000000e-02  2.4386600000e-01 -3.5244200000e-01  3.9320000000e-03 -1.2756300000e-01
+ENERGY -1.526547947822e+02
+FORCES -1.0529600000e-02  3.5659000000e-03 -4.6774000000e-03 -3.1698000000e-03 -4.3007000000e-03  2.0043000000e-03 -2.2522000000e-03  2.5530000000e-03 -6.4913000000e-03  1.9515000000e-02  1.4984000000e-03  5.9611000000e-03  4.5039000000e-03 -2.4840000000e-04 -3.4720000000e-04 -8.0672000000e-03 -3.0682000000e-03  3.5504000000e-03
+
+JOB 1
+COORDS  9.7451300000e-01 -1.1747100000e-01 -9.3333000000e-01  8.6990700000e-01 -1.0589750000e+00 -1.0706590000e+00  4.3069000000e-01  7.5544000000e-02 -1.6963300000e-01 -8.8474800000e-01  2.0755900000e-01  8.9317300000e-01 -8.4800100000e-01 -6.9838900000e-01  1.1999940000e+00 -1.7970110000e+00  3.3614800000e-01  6.3341700000e-01
+ENERGY -1.526557385007e+02
+FORCES -1.4888900000e-02  2.1939000000e-03  1.2545800000e-02 -8.6980000000e-04  2.3394000000e-03  1.8832000000e-03  7.3092000000e-03 -4.9892000000e-03 -2.4961000000e-03  2.4881000000e-03 -1.9647000000e-03 -9.7630000000e-03  1.8577000000e-03  4.6460000000e-03 -4.9453000000e-03  4.1037000000e-03 -2.2254000000e-03  2.7755000000e-03
+
+JOB 2
+COORDS  5.5231400000e-01  9.6782400000e-01 -5.8073000000e-01  8.8340900000e-01  1.7147510000e+00 -8.2025000000e-02  1.6895500000e-01  1.3555020000e+00 -1.3674780000e+00 -5.1818000000e-01 -1.0881610000e+00  5.8700600000e-01 -1.1914440000e+00 -9.0889300000e-01  1.2433670000e+00 -3.8658100000e-01 -2.5034600000e-01  1.4318200000e-01
+ENERGY -1.526575004137e+02
+FORCES -1.9210000000e-03 -4.6564000000e-03  5.2208000000e-03 -2.5098000000e-03 -3.1292000000e-03 -3.6478000000e-03  1.1130000000e-03 -2.2331000000e-03  5.5581000000e-03  6.8564000000e-03  1.4567700000e-02 -7.4647000000e-03  2.7767000000e-03  1.9274000000e-03 -2.5253000000e-03 -6.3153000000e-03 -6.4763000000e-03  2.8588000000e-03
+
+JOB 3
+COORDS -7.2086500000e-01 -9.0147200000e-01  7.3266300000e-01 -2.0894800000e-01 -2.0683800000e-01  3.1834800000e-01 -7.4324000000e-02 -1.5648960000e+00  9.7367200000e-01  6.9092200000e-01  8.5696100000e-01 -6.8795300000e-01  5.0160000000e-01  8.8451100000e-01 -1.6258390000e+00  2.3269600000e-01  1.6164670000e+00 -3.2821500000e-01
+ENERGY -1.526584112855e+02
+FORCES  1.2426400000e-02  9.0271000000e-03 -9.9212000000e-03 -6.8984000000e-03 -2.1040000000e-04  7.4963000000e-03 -1.4119000000e-03  1.8976000000e-03 -1.1049000000e-03 -5.8640000000e-03 -4.0609000000e-03 -7.9020000000e-04  1.1654000000e-03  1.2669000000e-03  5.0505000000e-03  5.8250000000e-04 -7.9203000000e-03 -7.3050000000e-04
+
+JOB 4
+COORDS  6.2310800000e-01 -3.1818400000e-01 -1.0643700000e+00  9.1908900000e-01 -1.2225340000e+00 -1.1681860000e+00  1.3233900000e+00  2.0914800000e-01 -1.4487620000e+00 -6.6578600000e-01  3.7693200000e-01  1.1507680000e+00 -1.5139830000e+00  6.1214000000e-02  8.3913500000e-01 -4.2025000000e-02  8.4877000000e-02  4.8604500000e-01
+ENERGY -1.526591857799e+02
+FORCES -1.1150000000e-03  2.2049000000e-03  4.6751000000e-03 -1.4998000000e-03  5.3693000000e-03  8.8230000000e-04 -3.2196000000e-03 -4.0252000000e-03  2.0009000000e-03  6.2877000000e-03 -4.8644000000e-03 -1.6582400000e-02  1.8882000000e-03  2.4700000000e-04  1.1875000000e-03 -2.3414000000e-03  1.0683000000e-03  7.8366000000e-03
+
+JOB 5
+COORDS -8.4926700000e-01  1.3960200000e-01  1.0950120000e+00 -4.3756000000e-01  2.5139700000e-01  2.3813900000e-01 -1.1620100000e-01  3.7760000000e-02  1.7020320000e+00  7.6177900000e-01 -8.6447000000e-02 -1.0495400000e+00  1.3458680000e+00 -1.5559200000e-01 -1.8047160000e+00  5.3293800000e-01 -9.9183400000e-01 -8.3945000000e-01
+ENERGY -1.526576147606e+02
+FORCES  9.7062000000e-03  3.7165000000e-03 -7.3531000000e-03 -2.7406000000e-03 -7.5468000000e-03  2.7095000000e-03 -2.3927000000e-03 -1.0385000000e-03 -1.6340000000e-03 -2.3575000000e-03 -3.2790000000e-04  1.7989000000e-03 -2.2965000000e-03 -2.1300000000e-03  4.2421000000e-03  8.1100000000e-05  7.3266000000e-03  2.3660000000e-04
+
+JOB 6
+COORDS  1.2426030000e+00 -6.0197600000e-01 -1.0399300000e-01  1.1885030000e+00 -1.0747290000e+00  7.2655400000e-01  4.1269400000e-01 -1.2899500000e-01 -1.6541200000e-01 -1.1529380000e+00  5.5522200000e-01  6.7042000000e-02 -1.1208080000e+00  1.2687840000e+00 -5.7016200000e-01 -1.9434230000e+00  7.2611400000e-01  5.7905900000e-01
+ENERGY -1.526570965709e+02
+FORCES -1.5617600000e-02  4.4087000000e-03  5.4960000000e-03  8.8920000000e-04  5.6050000000e-04 -1.8036000000e-03  4.8553000000e-03  2.2493000000e-03 -5.6661000000e-03  5.5221000000e-03 -2.9847000000e-03  1.6802000000e-03  1.1889000000e-03 -4.9260000000e-03  3.8308000000e-03  3.1620000000e-03  6.9220000000e-04 -3.5373000000e-03
+
+JOB 7
+COORDS -4.0417700000e-01  1.2329270000e+00 -1.1350500000e-01 -8.6736300000e-01  1.5238610000e+00 -8.9903000000e-01 -1.0546430000e+00  1.2961020000e+00  5.8587600000e-01  5.1229400000e-01 -1.2671040000e+00  1.7081900000e-01  2.5245700000e-01 -1.9305360000e+00 -4.6837900000e-01  1.1278600000e-01 -4.5762500000e-01 -1.4756600000e-01
+ENERGY -1.526594538613e+02
+FORCES -1.3995000000e-03 -2.7132000000e-03  2.5117000000e-03  2.0598000000e-03 -3.3233000000e-03  4.2669000000e-03  3.0228000000e-03 -5.9160000000e-04 -5.0459000000e-03 -4.6810000000e-03  1.3717200000e-02 -3.2128000000e-03 -4.0370000000e-04  4.0780000000e-03  9.6640000000e-04  1.4015000000e-03 -1.1167200000e-02  5.1370000000e-04
+
+JOB 8
+COORDS -7.1106900000e-01  1.1728150000e+00 -2.3944700000e-01 -2.5825200000e-01  3.4280900000e-01 -9.0184000000e-02 -6.4729300000e-01  1.6347060000e+00  5.9650900000e-01  6.6529300000e-01 -1.1060870000e+00  2.2486500000e-01  1.6699800000e-01 -1.8918260000e+00  3.5000000000e-05  1.4465780000e+00 -1.1514960000e+00 -3.2628300000e-01
+ENERGY -1.526610025043e+02
+FORCES  8.6236000000e-03 -1.3002600000e-02  5.4737000000e-03 -5.6534000000e-03  8.0628000000e-03 -3.0535000000e-03  2.6710000000e-04 -1.6732000000e-03 -2.0660000000e-03 -1.3759000000e-03  2.1134000000e-03 -3.4216000000e-03  3.0101000000e-03  4.7774000000e-03  3.9810000000e-04 -4.8714000000e-03 -2.7780000000e-04  2.6693000000e-03
+
+JOB 9
+COORDS -3.9054100000e-01 -5.9748100000e-01 -1.2192860000e+00 -1.5065100000e-01  1.4533300000e-01 -6.6528900000e-01  2.1900900000e-01 -1.2912740000e+00 -9.6762700000e-01  3.2399000000e-01  5.7471300000e-01  1.1040960000e+00  1.1854100000e-01  1.3935580000e+00  1.5552230000e+00  7.9197300000e-01  5.2593000000e-02  1.7557210000e+00
+ENERGY -1.526570179120e+02
+FORCES  5.9210000000e-03  4.5495000000e-03  1.4266800000e-02 -2.1164000000e-03  4.9760000000e-04 -6.5268000000e-03 -1.5742000000e-03  5.1850000000e-04 -1.0964000000e-03 -1.1459000000e-03 -4.3253000000e-03 -1.9119000000e-03  1.0101000000e-03 -4.3764000000e-03 -2.2763000000e-03 -2.0946000000e-03  3.1361000000e-03 -2.4555000000e-03
+
+JOB 10
+COORDS  3.8104600000e-01  1.1366760000e+00 -5.5940800000e-01 -4.6341000000e-02  1.0104010000e+00 -1.4065360000e+00  1.7392100000e-01  2.0395670000e+00 -3.1832700000e-01 -4.1099200000e-01 -1.1821090000e+00  6.1900800000e-01  2.6437800000e-01 -1.8438070000e+00  7.6821400000e-01  2.2062000000e-02 -5.1226400000e-01  8.9855000000e-02
+ENERGY -1.526590993826e+02
+FORCES -4.7368000000e-03  3.2440000000e-04  4.0511000000e-03  2.0648000000e-03 -1.2478000000e-03  5.8010000000e-03  1.0847000000e-03 -3.2850000000e-03 -3.4035000000e-03  5.7125000000e-03  1.0564300000e-02 -3.4375000000e-03 -1.2433000000e-03  3.3001000000e-03 -1.2715000000e-03 -2.8820000000e-03 -9.6560000000e-03 -1.7395000000e-03
+
+JOB 11
+COORDS  4.4304600000e-01 -9.4003500000e-01 -9.8950800000e-01  5.4477200000e-01 -2.0273200000e-01 -3.8762100000e-01 -4.9822200000e-01 -1.1136710000e+00 -9.9938000000e-01 -3.4183500000e-01  8.5375300000e-01  9.5521200000e-01 -2.2873700000e-01  1.7952320000e+00  8.2461100000e-01 -1.2888150000e+00  7.3327300000e-01  1.0255440000e+00
+ENERGY -1.526577178107e+02
+FORCES -6.7216000000e-03  9.0891000000e-03  1.0936300000e-02  4.6844000000e-03 -2.7645000000e-03 -6.0093000000e-03  1.4671000000e-03 -5.3860000000e-04 -6.9900000000e-04 -3.5627000000e-03 -1.1841000000e-03 -2.8294000000e-03 -3.8760000000e-04 -5.4827000000e-03 -3.8380000000e-04  4.5205000000e-03  8.8090000000e-04 -1.0148000000e-03
+
+JOB 12
+COORDS  5.9354900000e-01 -1.0821620000e+00  6.3042200000e-01  3.8147600000e-01 -2.0003580000e+00  4.6257300000e-01 -1.1286200000e-01 -5.9193800000e-01  2.0983200000e-01 -4.7945700000e-01  1.0940580000e+00 -5.7307300000e-01 -8.2530200000e-01  7.4921900000e-01 -1.3963040000e+00 -1.1982880000e+00  1.6102210000e+00 -2.0825900000e-01
+ENERGY -1.526567864338e+02
+FORCES -5.1030000000e-03  9.0686000000e-03 -4.3949000000e-03 -7.7720000000e-04  4.7059000000e-03 -1.2442000000e-03  1.0516000000e-03 -1.0220900000e-02  1.6488000000e-03 -3.0880000000e-04  1.2555000000e-03 -6.5290000000e-04  1.4999000000e-03 -1.0570000000e-03  6.6726000000e-03  3.6375000000e-03 -3.7521000000e-03 -2.0294000000e-03
+
+JOB 13
+COORDS  2.2173700000e-01 -6.4585200000e-01  1.2378060000e+00  2.1317200000e-01 -1.1559000000e-01  4.4095000000e-01 -3.1255000000e-01 -1.5244800000e-01  1.8601580000e+00 -1.3618500000e-01  5.9919700000e-01 -1.1863760000e+00 -2.7420100000e-01 -4.2362000000e-02 -1.8832150000e+00 -9.4480200000e-01  1.1110820000e+00 -1.1678440000e+00
+ENERGY -1.526601477193e+02
+FORCES -2.2573000000e-03  8.1510000000e-03 -1.1515700000e-02  9.6130000000e-04 -4.2070000000e-03  9.5923000000e-03  8.8090000000e-04 -6.9290000000e-04 -2.8876000000e-03 -3.4511000000e-03 -4.2661000000e-03  1.1412000000e-03 -6.9400000000e-05  4.1290000000e-03  3.1734000000e-03  3.9356000000e-03 -3.1140000000e-03  4.9650000000e-04
+
+JOB 14
+COORDS  1.3015050000e+00  4.3732300000e-01  3.3013600000e-01  1.9719650000e+00 -1.5850300000e-01 -4.0900000000e-03  4.8032500000e-01 -4.3723000000e-02  2.2771100000e-01 -1.2515730000e+00 -3.8757100000e-01 -2.4924300000e-01 -1.5219450000e+00 -9.5351500000e-01 -9.7231700000e-01 -1.6462840000e+00  4.6140200000e-01 -4.4844200000e-01
+ENERGY -1.526607202101e+02
+FORCES -1.0825500000e-02 -6.6135000000e-03 -3.2679000000e-03 -2.9940000000e-03  9.9550000000e-04  3.6940000000e-04  9.2034000000e-03  3.8937000000e-03  2.5953000000e-03  2.0941000000e-03  3.6149000000e-03 -3.2168000000e-03  1.0366000000e-03  3.3019000000e-03  3.0780000000e-03  1.4855000000e-03 -5.1926000000e-03  4.4190000000e-04
+
+JOB 15
+COORDS  1.8906800000e-01  1.1914350000e+00 -7.5069500000e-01 -1.8243200000e-01  1.0880140000e+00 -1.6267800000e+00  1.2712100000e-01  3.2008600000e-01 -3.5935700000e-01 -1.7214100000e-01 -1.0760010000e+00  7.3541200000e-01  6.0825600000e-01 -1.6245040000e+00  8.1513900000e-01 -7.6960200000e-01 -1.4099890000e+00  1.4045340000e+00
+ENERGY -1.526599955230e+02
+FORCES -3.6985000000e-03 -1.0426800000e-02  5.3815000000e-03  8.5560000000e-04 -6.6580000000e-04  2.9640000000e-03  4.3738000000e-03  5.2761000000e-03 -6.2276000000e-03 -1.3446000000e-03  3.3872000000e-03  1.0890000000e-03 -4.3008000000e-03  3.0409000000e-03 -6.3020000000e-04  4.1145000000e-03 -6.1160000000e-04 -2.5766000000e-03
+
+JOB 16
+COORDS  1.8501600000e-01 -7.6777800000e-01 -1.1405010000e+00 -6.7415600000e-01 -1.1550440000e+00 -9.7293000000e-01  7.9260800000e-01 -1.3006180000e+00 -6.2752400000e-01 -1.7191600000e-01  8.0002000000e-01  1.1619790000e+00 -7.6156000000e-02  2.8855400000e-01  3.5857100000e-01 -2.6025800000e-01  1.7045430000e+00  8.6153700000e-01
+ENERGY -1.526595721545e+02
+FORCES -1.6770000000e-04 -4.6755000000e-03  1.5166000000e-03  5.4289000000e-03  4.8503000000e-03  1.7219000000e-03 -4.8949000000e-03  5.3068000000e-03 -9.7300000000e-04  2.2486000000e-03 -2.7746000000e-03 -1.3110700000e-02 -2.6268000000e-03  1.7970000000e-04  1.0221000000e-02  1.1800000000e-05 -2.8867000000e-03  6.2420000000e-04
+
+JOB 17
+COORDS -4.2704400000e-01  1.1136390000e+00 -6.4392800000e-01  2.0039700000e-01  1.8320380000e+00 -7.2425500000e-01 -1.1177170000e+00  1.4602610000e+00 -7.9078000000e-02  4.6360100000e-01 -1.1306430000e+00  6.5710100000e-01  4.8863200000e-01 -2.0874120000e+00  6.7123300000e-01 -1.6033100000e-01 -9.1711900000e-01 -3.6692000000e-02
+ENERGY -1.526573127634e+02
+FORCES  4.4619000000e-03  1.7768000000e-03  5.0582000000e-03 -3.7312000000e-03 -1.5408000000e-03  1.0400000000e-05  2.6357000000e-03 -2.1282000000e-03 -2.8035000000e-03 -3.0565000000e-03  4.3743000000e-03 -5.5570000000e-03 -8.3210000000e-04  4.5601000000e-03 -1.2901000000e-03  5.2220000000e-04 -7.0422000000e-03  4.5820000000e-03
+
+JOB 18
+COORDS  2.1390400000e-01 -1.2983200000e+00 -2.4431300000e-01 -1.2353100000e-01 -1.9587890000e+00 -8.4941700000e-01  1.1656320000e+00 -1.3699870000e+00 -3.1718900000e-01 -2.2142000000e-01  1.3566610000e+00  3.4263800000e-01 -6.8699000000e-02  5.5768100000e-01 -1.6188100000e-01 -8.3886700000e-01  1.8607890000e+00 -1.8731200000e-01
+ENERGY -1.526593828317e+02
+FORCES  9.7380000000e-04 -1.1957000000e-03 -1.1200000000e-04  2.2839000000e-03  3.2451000000e-03  2.9396000000e-03 -5.7674000000e-03  1.4606000000e-03 -6.8040000000e-04 -7.8590000000e-04 -1.0762800000e-02 -3.9040000000e-03  1.5869000000e-03  1.0151000000e-02  7.7310000000e-04  1.7088000000e-03 -2.8982000000e-03  9.8370000000e-04
+
+JOB 19
+COORDS -1.3005680000e+00  1.6466400000e-01  6.2547700000e-01 -1.4365140000e+00 -5.0250700000e-01 -4.7303000000e-02 -3.8024700000e-01  4.1200400000e-01  5.3567500000e-01  1.2023970000e+00 -1.7545400000e-01 -6.1490100000e-01  1.8888680000e+00  3.1027600000e-01 -1.0721270000e+00  1.4408450000e+00 -1.1463200000e-01  3.1012600000e-01
+ENERGY -1.526547891538e+02
+FORCES  8.2262000000e-03 -2.6503000000e-03 -1.0405100000e-02 -2.5020000000e-03  1.2812000000e-03  3.2549000000e-03  2.3448000000e-03 -4.1270000000e-04  7.4031000000e-03  2.3569000000e-03  1.3365000000e-03  1.3117000000e-03 -3.4508000000e-03 -2.5007000000e-03  2.7762000000e-03 -6.9752000000e-03  2.9459000000e-03 -4.3408000000e-03
+
+JOB 20
+COORDS  8.8897400000e-01 -5.5982600000e-01 -1.0051590000e+00  3.6006200000e-01 -8.4748000000e-01 -1.7492950000e+00  2.5046600000e-01 -3.5158700000e-01 -3.2312100000e-01 -8.2412300000e-01  5.9452500000e-01  9.4479100000e-01 -1.5032920000e+00  8.3832000000e-02  1.3854210000e+00 -8.4111000000e-02  5.8396000000e-01  1.5518350000e+00
+ENERGY -1.526600386969e+02
+FORCES -1.0131700000e-02  4.5331000000e-03  4.5540000000e-03  1.1506000000e-03  5.7060000000e-04  2.5252000000e-03  8.6533000000e-03 -5.1367000000e-03 -3.2549000000e-03  1.1800000000e-04  2.4810000000e-04  4.4280000000e-03  4.1057000000e-03  2.0922000000e-03 -2.7772000000e-03 -3.8959000000e-03 -2.3072000000e-03 -5.4752000000e-03
+
+JOB 21
+COORDS  2.6029700000e-01 -9.5003000000e-02 -1.3809490000e+00  7.1705400000e-01 -9.2412700000e-01 -1.2389700000e+00  9.5961000000e-01  5.5388700000e-01 -1.4592800000e+00 -3.0896000000e-01  1.6566300000e-01  1.4090810000e+00 -9.1719900000e-01 -5.0396000000e-01  1.7219430000e+00  1.5100000000e-04 -1.6594500000e-01  5.6604000000e-01
+ENERGY -1.526571940186e+02
+FORCES  3.9887000000e-03  2.3686000000e-03 -2.2022000000e-03 -4.1944000000e-03  5.4651000000e-03  4.4269000000e-03 -3.6166000000e-03 -4.3451000000e-03  1.1629000000e-03 -1.4490000000e-03 -1.9510000000e-03 -1.0584400000e-02  2.5417000000e-03  1.5766000000e-03 -2.0263000000e-03  2.7296000000e-03 -3.1142000000e-03  9.2230000000e-03
+
+JOB 22
+COORDS  1.1743970000e+00 -7.4166200000e-01 -1.3531500000e-01  7.9110000000e-01 -1.6172750000e+00 -1.8648200000e-01  1.5424260000e+00 -5.8955400000e-01 -1.0057460000e+00 -1.2356020000e+00  7.7687800000e-01  1.9846600000e-01 -5.4614000000e-01  1.1290200000e-01  1.9524300000e-01 -7.8445200000e-01  1.5923760000e+00 -1.9842000000e-02
+ENERGY -1.526594802746e+02
+FORCES  5.9050000000e-04 -1.4413000000e-03 -4.7500000000e-03 -2.4920000000e-04  6.5855000000e-03  4.1960000000e-04 -1.8413000000e-03 -9.2060000000e-04  4.5187000000e-03  1.3028300000e-02 -2.9001000000e-03 -1.1239000000e-03 -9.4368000000e-03  2.4140000000e-04  9.4740000000e-04 -2.0915000000e-03 -1.5650000000e-03 -1.1900000000e-05
+
+JOB 23
+COORDS -1.4836600000e-01  6.9096700000e-01  1.1963860000e+00 -1.0722480000e+00  6.2955500000e-01  1.4390840000e+00  3.0745600000e-01  1.6219500000e-01  1.8512600000e+00  1.5058500000e-01 -6.6333100000e-01 -1.3124900000e+00 -1.0830200000e-01 -3.1107000000e-02 -6.4204100000e-01  8.7523500000e-01 -1.1484660000e+00 -9.1782700000e-01
+ENERGY -1.526594539783e+02
+FORCES -6.0250000000e-04 -3.9588000000e-03  3.1917000000e-03  5.0292000000e-03 -3.4090000000e-04 -2.3566000000e-03 -2.4225000000e-03  2.3041000000e-03 -3.2840000000e-03  1.8814000000e-03  5.3284000000e-03  1.1914900000e-02 -2.1560000000e-03 -3.6760000000e-03 -8.1145000000e-03 -1.7297000000e-03  3.4310000000e-04 -1.3515000000e-03
+
+JOB 24
+COORDS -6.3021300000e-01  4.1985900000e-01  1.1924650000e+00  6.8580000000e-03 -9.6680000000e-02  1.6859840000e+00 -3.4361200000e-01  1.3261150000e+00  1.3055620000e+00  5.9279800000e-01 -4.0117300000e-01 -1.2816580000e+00  8.5646000000e-01 -1.3166100000e+00 -1.1884470000e+00  1.3369400000e-01 -1.9945000000e-01 -4.6632800000e-01
+ENERGY -1.526600146621e+02
+FORCES  3.0667000000e-03  3.7107000000e-03  3.5042000000e-03 -2.5891000000e-03  1.7699000000e-03 -5.8455000000e-03 -1.1218000000e-03 -5.3569000000e-03 -5.3350000000e-04 -6.2429000000e-03  8.3040000000e-04  8.6266000000e-03 -9.2670000000e-04  3.2349000000e-03  1.3925000000e-03  7.8138000000e-03 -4.1889000000e-03 -7.1444000000e-03
+
+JOB 25
+COORDS -9.8374000000e-02 -4.0537600000e-01 -1.3249450000e+00 -5.0174800000e-01 -1.1479710000e+00 -1.7744710000e+00 -7.0960900000e-01  3.1852400000e-01 -1.4612960000e+00  1.1432600000e-01  3.8382900000e-01  1.4037810000e+00  8.0873900000e-01  1.0276310000e+00  1.5435680000e+00  2.0303600000e-01  1.3085000000e-01  4.8488800000e-01
+ENERGY -1.526608050385e+02
+FORCES -4.3647000000e-03 -2.3201000000e-03 -7.1680000000e-04  1.1126000000e-03  4.4889000000e-03  6.9360000000e-04  4.0760000000e-03 -3.8182000000e-03  2.3758000000e-03  2.6196000000e-03 -3.4609000000e-03 -8.4882000000e-03 -2.4515000000e-03 -1.9478000000e-03 -1.7277000000e-03 -9.9200000000e-04  7.0582000000e-03  7.8633000000e-03
+
+JOB 26
+COORDS -4.5581000000e-02 -4.7586500000e-01 -1.3793200000e+00  1.7346400000e-01 -2.1413200000e-01 -4.8503500000e-01  8.0045200000e-01 -6.4461500000e-01 -1.7940290000e+00 -6.0260000000e-03  4.6422200000e-01  1.2847350000e+00 -1.2192100000e-01 -2.1031200000e-01  1.9539160000e+00 -9.1526000000e-02  1.2907870000e+00  1.7598270000e+00
+ENERGY -1.526609244303e+02
+FORCES  2.2298000000e-03  3.9200000000e-03  8.2544000000e-03  8.8300000000e-04 -5.5500000000e-03 -8.2765000000e-03 -2.3438000000e-03  8.4950000000e-04  2.3547000000e-03 -1.9534000000e-03  1.6192000000e-03  8.9410000000e-04  9.2610000000e-04  3.7454000000e-03 -3.0089000000e-03  2.5820000000e-04 -4.5841000000e-03 -2.1770000000e-04
+
+JOB 27
+COORDS -1.9699200000e-01  1.4460470000e+00  2.8850500000e-01 -1.1225490000e+00  1.5032950000e+00  5.1232000000e-02 -5.4340000000e-03  5.0822500000e-01  2.8315100000e-01  2.2572400000e-01 -1.3708950000e+00 -2.1302900000e-01 -3.6825600000e-01 -1.7140880000e+00 -8.8059100000e-01  1.0945370000e+00 -1.4332700000e+00 -6.0989800000e-01
+ENERGY -1.526608664399e+02
+FORCES -1.6815000000e-03 -1.1419200000e-02 -1.7042000000e-03  2.5402000000e-03 -1.9350000000e-04  2.6010000000e-04  2.9750000000e-04  1.0062200000e-02  1.6083000000e-03  6.2840000000e-04 -8.4470000000e-04 -5.1219000000e-03  3.1057000000e-03  1.6958000000e-03  3.0503000000e-03 -4.8903000000e-03  6.9940000000e-04  1.9073000000e-03
+
+JOB 28
+COORDS -8.3030700000e-01  1.2367740000e+00 -9.5380000000e-02 -1.4891510000e+00  9.5361000000e-01 -7.2939400000e-01 -2.0862400000e-01  5.1008700000e-01 -5.4536000000e-02  8.3909500000e-01 -1.1074270000e+00  1.4449800000e-01  1.2842750000e+00 -1.6593930000e+00 -4.9844900000e-01  2.3911100000e-01 -1.7010670000e+00  5.9598800000e-01
+ENERGY -1.526610669625e+02
+FORCES  5.4673000000e-03 -8.7299000000e-03 -2.0314000000e-03  1.8789000000e-03  3.4070000000e-04  2.0732000000e-03 -7.2749000000e-03  7.2160000000e-03  7.7850000000e-04  1.1170000000e-04 -3.7142000000e-03 -9.1480000000e-04 -2.7942000000e-03  1.5552000000e-03  3.6144000000e-03  2.6111000000e-03  3.3323000000e-03 -3.5199000000e-03
+
+JOB 29
+COORDS  9.9885700000e-01  9.6401000000e-01 -5.5394700000e-01  1.5638060000e+00  1.2250560000e+00  1.7332200000e-01  2.8197600000e-01  4.8314500000e-01 -1.4032600000e-01 -9.7933000000e-01 -9.1908300000e-01  5.4847400000e-01 -6.6970600000e-01 -1.7825500000e+00  2.7499900000e-01 -1.4539610000e+00 -5.8251600000e-01 -2.1157800000e-01
+ENERGY -1.526596216605e+02
+FORCES -3.8385000000e-03 -5.1556000000e-03  8.2296000000e-03 -1.4993000000e-03 -9.1490000000e-04 -2.4609000000e-03  1.9213000000e-03  6.1540000000e-03 -7.4797000000e-03 -1.1180000000e-03 -5.3334000000e-03 -3.8192000000e-03 -2.0484000000e-03  4.4488000000e-03  1.3600000000e-03  6.5830000000e-03  8.0110000000e-04  4.1703000000e-03
+
+JOB 30
+COORDS -7.3759500000e-01  1.1206440000e+00 -6.5480100000e-01 -6.5680500000e-01  1.8845560000e+00 -8.3711000000e-02 -3.2249300000e-01  4.1030100000e-01 -1.6558200000e-01  7.1894300000e-01 -1.0541300000e+00  5.9200900000e-01  6.7346000000e-02 -1.5163840000e+00  1.1192420000e+00  1.1584290000e+00 -1.7438940000e+00  9.4706000000e-02
+ENERGY -1.526613834524e+02
+FORCES  6.7087000000e-03 -5.3106000000e-03  5.4422000000e-03 -2.5930000000e-04 -2.8277000000e-03 -1.2365000000e-03 -7.6916000000e-03  7.1870000000e-03 -2.4650000000e-03  8.8380000000e-04 -4.7466000000e-03 -1.8101000000e-03  2.7047000000e-03  3.4027000000e-03 -3.5380000000e-03 -2.3463000000e-03  2.2953000000e-03  3.6074000000e-03
+
+JOB 31
+COORDS -1.1816610000e+00 -6.2545800000e-01  5.2973400000e-01 -8.5646400000e-01 -1.4234090000e+00  9.4657100000e-01 -1.3333270000e+00 -2.0201000000e-02  1.2556080000e+00  1.1678610000e+00  7.1654000000e-01 -5.8661800000e-01  4.8139000000e-01  8.2539000000e-02 -3.7917400000e-01  1.9115110000e+00  1.8236500000e-01 -8.6567700000e-01
+ENERGY -1.526607200223e+02
+FORCES -1.4768000000e-03  8.5810000000e-04  6.3446000000e-03  9.2200000000e-05  4.6176000000e-03 -2.9814000000e-03  7.8090000000e-04 -3.9599000000e-03 -3.4732000000e-03 -6.3227000000e-03 -5.8249000000e-03  1.2767000000e-03  1.0228600000e-02  3.6761000000e-03 -2.8162000000e-03 -3.3022000000e-03  6.3290000000e-04  1.6495000000e-03
+
+JOB 32
+COORDS  1.2346740000e+00 -7.4007300000e-01  2.8120000000e-03  8.0539000000e-01 -1.5954090000e+00  2.1492000000e-02  1.7052340000e+00 -7.2587600000e-01 -8.3061700000e-01 -1.2340720000e+00  8.3097800000e-01 -1.5030000000e-03 -6.0437200000e-01  1.2040000000e-01  1.2011100000e-01 -1.8907650000e+00  6.8899500000e-01  6.8027900000e-01
+ENERGY -1.526585758118e+02
+FORCES  3.4222000000e-03 -1.6938000000e-03 -5.0777000000e-03 -1.0735000000e-03  6.8179000000e-03  2.2190000000e-04 -1.9055000000e-03 -1.2465000000e-03  4.4128000000e-03  6.7654000000e-03 -3.9049000000e-03  2.4427000000e-03 -1.0390300000e-02  8.4220000000e-04  2.1420000000e-04  3.1817000000e-03 -8.1490000000e-04 -2.2139000000e-03
+
+JOB 33
+COORDS  7.0039700000e-01 -1.6971000000e-01  1.2836860000e+00  2.3772600000e-01 -1.0076630000e+00  1.2851890000e+00  1.5708200000e+00 -3.7677900000e-01  9.4351400000e-01 -7.3412800000e-01  1.6255800000e-01 -1.2902220000e+00 -4.1685500000e-01  4.1049700000e-01 -4.2183500000e-01 -7.3235400000e-01  9.7971000000e-01 -1.7887110000e+00
+ENERGY -1.526610988056e+02
+FORCES  3.3929000000e-03 -6.4567000000e-03 -9.3030000000e-04  1.9277000000e-03  5.2392000000e-03 -6.8630000000e-04 -4.1693000000e-03  1.1813000000e-03  1.8056000000e-03  3.2584000000e-03  3.5589000000e-03  6.0444000000e-03 -5.2346000000e-03 -9.6360000000e-04 -8.6209000000e-03  8.2500000000e-04 -2.5591000000e-03  2.3874000000e-03
+
+JOB 34
+COORDS  3.7661700000e-01  7.5852200000e-01  1.1700610000e+00 -1.4310900000e-01  6.6510100000e-01  1.9684270000e+00  1.3410000000e-01  1.6177950000e+00  8.2500100000e-01 -3.9585300000e-01 -8.0294600000e-01 -1.1969550000e+00  2.4104700000e-01 -2.4323000000e-01 -7.5276200000e-01  1.3506700000e-01 -1.4583570000e+00 -1.6494940000e+00
+ENERGY -1.526584157021e+02
+FORCES -5.8875000000e-03  3.9480000000e-04  3.2993000000e-03  2.7761000000e-03  1.9880000000e-03 -2.5653000000e-03  1.5585000000e-03 -4.9700000000e-03  1.1790000000e-04  4.9249000000e-03  1.6223000000e-03  5.2952000000e-03 -1.9291000000e-03 -1.5490000000e-03 -8.5166000000e-03 -1.4429000000e-03  2.5139000000e-03  2.3695000000e-03
+
+JOB 35
+COORDS -3.0897900000e-01  1.3317800000e+00 -4.0947600000e-01  6.6786000000e-02  1.9459340000e+00 -1.0402270000e+00 -3.8000200000e-01  1.8345510000e+00  4.0194800000e-01  3.3251900000e-01 -1.4389760000e+00  3.6154200000e-01 -4.8478000000e-02 -6.1625600000e-01  5.4611000000e-02  3.0783000000e-02 -1.5203920000e+00  1.2662840000e+00
+ENERGY -1.526603041721e+02
+FORCES  3.1684000000e-03  3.8223000000e-03 -5.2600000000e-04 -2.1880000000e-03 -1.3555000000e-03  3.7039000000e-03  2.8120000000e-04 -2.8156000000e-03 -3.6827000000e-03 -3.1207000000e-03  8.1425000000e-03 -9.7670000000e-04  9.2430000000e-04 -9.0021000000e-03  4.1931000000e-03  9.3490000000e-04  1.2083000000e-03 -2.7116000000e-03
+
+JOB 36
+COORDS -1.1317900000e+00  1.2475700000e-01 -9.3372700000e-01 -4.5320200000e-01  2.9086300000e-01 -1.5880660000e+00 -1.7812540000e+00  8.1216800000e-01 -1.0816920000e+00  1.1874070000e+00 -1.3819900000e-01  9.9871600000e-01  4.7393200000e-01  1.0423200000e-01  4.0845200000e-01  9.7456800000e-01 -1.0281490000e+00  1.2796420000e+00
+ENERGY -1.526603219209e+02
+FORCES -2.8663000000e-03  3.3335000000e-03 -4.5243000000e-03 -2.3599000000e-03 -3.5270000000e-04  6.1964000000e-03  3.3366000000e-03 -3.3867000000e-03 -1.5420000000e-04 -8.7762000000e-03 -2.3243000000e-03 -2.6149000000e-03  9.1671000000e-03  4.9700000000e-05  1.6723000000e-03  1.4987000000e-03  2.6806000000e-03 -5.7540000000e-04
+
+JOB 37
+COORDS -1.5082200000e-01  1.3271720000e+00  8.1889700000e-01  1.4762100000e-01  1.6795850000e+00 -1.9535000000e-02 -2.1998000000e-01  3.8387800000e-01  6.7177200000e-01  1.3912600000e-01 -1.2300140000e+00 -7.8349900000e-01  8.3523700000e-01 -1.7683510000e+00 -4.0686400000e-01 -6.2968700000e-01 -1.8002280000e+00 -7.8749100000e-01
+ENERGY -1.526600771803e+02
+FORCES  1.6274000000e-03 -6.8502000000e-03 -8.2859000000e-03 -7.5980000000e-04  1.0695000000e-03  3.2916000000e-03 -1.3185000000e-03  5.1015000000e-03  6.2145000000e-03  6.1840000000e-04 -5.6079000000e-03 -1.1905000000e-03 -4.1018000000e-03  3.0434000000e-03 -1.1423000000e-03  3.9342000000e-03  3.2437000000e-03  1.1127000000e-03
+
+JOB 38
+COORDS -4.6478700000e-01 -1.5510100000e-01  1.4777280000e+00 -8.6615800000e-01 -1.0240030000e+00  1.4658290000e+00 -1.8143200000e-01 -9.2560000000e-03  5.7513700000e-01  4.3161000000e-01  2.0613700000e-01 -1.3579500000e+00  4.0586700000e-01 -4.7607500000e-01 -2.0288850000e+00  1.1082020000e+00  8.1288300000e-01 -1.6584730000e+00
+ENERGY -1.526612357900e+02
+FORCES  1.4244000000e-03 -1.3900000000e-03 -8.7278000000e-03  1.2227000000e-03  2.4266000000e-03 -1.5390000000e-04 -2.9348000000e-03 -1.0289000000e-03  9.4420000000e-03  2.8354000000e-03 -1.8000000000e-05 -3.5669000000e-03  5.6410000000e-04  3.4087000000e-03  2.6974000000e-03 -3.1118000000e-03 -3.3984000000e-03  3.0930000000e-04
+
+JOB 39
+COORDS -1.9055300000e-01  1.4331030000e+00  1.8033500000e-01  3.1158200000e-01  2.0968610000e+00  6.5311100000e-01 -1.1019430000e+00  1.6110930000e+00  4.1254300000e-01  2.2266600000e-01 -1.5212820000e+00 -1.6319300000e-01  3.4117600000e-01 -5.7192500000e-01 -1.9333700000e-01  1.1287000000e-02 -1.7654760000e+00 -1.0642590000e+00
+ENERGY -1.526611971413e+02
+FORCES -2.8539000000e-03  2.8918000000e-03  3.7437000000e-03 -2.9102000000e-03 -2.6860000000e-03 -1.9515000000e-03  4.4243000000e-03  5.9350000000e-04 -1.0536000000e-03 -6.5400000000e-04  7.7056000000e-03 -2.1026000000e-03  1.6822000000e-03 -9.5808000000e-03 -1.5965000000e-03  3.1160000000e-04  1.0760000000e-03  2.9605000000e-03
+
+JOB 40
+COORDS -5.8255300000e-01  1.3289500000e+00  3.6328100000e-01 -1.0984360000e+00  8.1843600000e-01 -2.6079600000e-01 -1.2062170000e+00  1.9507970000e+00  7.3822200000e-01  6.9143000000e-01 -1.3858270000e+00 -3.6491900000e-01  7.2808600000e-01 -4.7457800000e-01 -6.5563300000e-01 -6.7083000000e-02 -1.4214840000e+00  2.1784900000e-01
+ENERGY -1.526555081230e+02
+FORCES -4.9513000000e-03  2.5148000000e-03 -2.3100000000e-04  4.8247000000e-03  4.1990000000e-04  3.1141000000e-03  2.3865000000e-03 -3.3737000000e-03 -1.6891000000e-03 -1.1724000000e-03  6.3431000000e-03  4.7412000000e-03 -2.2509000000e-03 -4.8531000000e-03 -1.9668000000e-03  1.1634000000e-03 -1.0510000000e-03 -3.9683000000e-03
+
+JOB 41
+COORDS  2.2415000000e-01 -8.8256500000e-01  1.2238550000e+00 -7.3280600000e-01 -8.6291400000e-01  1.2328960000e+00  4.8021600000e-01 -4.8556100000e-01  2.0563500000e+00 -1.7914100000e-01  8.3699600000e-01 -1.3334960000e+00  3.9919300000e-01  5.5075300000e-01 -6.2651200000e-01 -7.6040900000e-01  1.4775610000e+00 -9.2357400000e-01
+ENERGY -1.526583810053e+02
+FORCES -4.5480000000e-03 -1.4306000000e-03  4.1398000000e-03  4.8835000000e-03  9.8670000000e-04  7.9480000000e-04 -1.3957000000e-03 -7.4900000000e-04 -4.7429000000e-03  1.8551000000e-03 -1.2363000000e-03  7.1012000000e-03 -2.2020000000e-03  5.1106000000e-03 -6.1673000000e-03  1.4072000000e-03 -2.6814000000e-03 -1.1256000000e-03
+
+JOB 42
+COORDS  1.2799600000e+00  7.8465800000e-01  5.0224400000e-01  6.7341700000e-01  1.4668120000e+00  2.1414000000e-01  9.7755700000e-01  5.4950600000e-01  1.3794480000e+00 -1.2737260000e+00 -7.8614400000e-01 -5.0319300000e-01 -3.4822700000e-01 -8.8545000000e-01 -2.7998600000e-01 -1.3443250000e+00 -1.1313180000e+00 -1.3931950000e+00
+ENERGY -1.526591244362e+02
+FORCES -4.1483000000e-03  5.0614000000e-03  2.8716000000e-03  3.8523000000e-03 -2.9015000000e-03  1.4511000000e-03  1.1693000000e-03 -4.6860000000e-04 -4.7999000000e-03  5.7971000000e-03 -1.2643000000e-03 -2.3780000000e-03 -7.1953000000e-03 -2.0024000000e-03 -4.3090000000e-04  5.2480000000e-04  1.5754000000e-03  3.2861000000e-03
+
+JOB 43
+COORDS -1.3937640000e+00 -3.8198100000e-01 -7.6445000000e-01 -1.1171570000e+00  2.3812200000e-01 -1.4391290000e+00 -7.0545900000e-01 -3.3736300000e-01 -1.0076600000e-01  1.3253740000e+00  3.8636600000e-01  7.1448500000e-01  8.7450600000e-01  4.0687200000e-01  1.5586000000e+00  1.8450740000e+00 -4.1707700000e-01  7.3945200000e-01
+ENERGY -1.526588710704e+02
+FORCES  8.1542000000e-03  4.6080000000e-03  4.6650000000e-04 -2.3674000000e-03 -2.4050000000e-03  1.2527000000e-03 -7.0918000000e-03 -3.0084000000e-03 -3.7270000000e-04  4.4880000000e-03 -1.5652000000e-03  4.7118000000e-03  3.6350000000e-04 -1.4324000000e-03 -5.9343000000e-03 -3.5464000000e-03  3.8030000000e-03 -1.2400000000e-04
+
+JOB 44
+COORDS -3.1057000000e-01 -1.5835850000e+00  3.1361800000e-01 -6.8829800000e-01 -9.0267300000e-01 -2.4307900000e-01 -4.8358800000e-01 -1.2865500000e+00  1.2069650000e+00  4.1217300000e-01  1.5292770000e+00 -3.4586400000e-01 -3.0206000000e-02  1.6602080000e+00  4.9281900000e-01 -2.9040500000e-01  1.3017200000e+00 -9.5482600000e-01
+ENERGY -1.526509856020e+02
+FORCES  5.7050000000e-04  6.4282000000e-03  1.2144000000e-03 -1.2100000000e-03 -2.1003000000e-03  9.9790000000e-04  5.2400000000e-05 -1.1114000000e-03 -3.3608000000e-03 -3.2222000000e-03  2.4830000000e-04  1.0254000000e-03  1.3603000000e-03 -1.7328000000e-03 -3.7114000000e-03  2.4490000000e-03 -1.7321000000e-03  3.8345000000e-03
+
+JOB 45
+COORDS  6.7276000000e-02  1.6055170000e+00 -7.6209000000e-02  5.5770700000e-01  1.7227560000e+00 -8.8982100000e-01 -8.3619900000e-01  1.4638740000e+00 -3.5887700000e-01 -2.1099000000e-02 -1.5761450000e+00  2.0236400000e-01 -4.8875000000e-01 -1.1476330000e+00 -5.1451200000e-01  6.0020000000e-02 -2.4885310000e+00 -7.5492000000e-02
+ENERGY -1.526516543297e+02
+FORCES -6.1840000000e-04  3.0510000000e-04 -2.9800000000e-03 -2.6137000000e-03 -9.3730000000e-04  3.2150000000e-03  4.1016000000e-03 -1.1722000000e-03  3.9020000000e-04 -1.3106000000e-03 -2.5910000000e-04 -3.7731000000e-03  3.2570000000e-04 -2.3824000000e-03  1.9612000000e-03  1.1540000000e-04  4.4458000000e-03  1.1867000000e-03
+
+JOB 46
+COORDS  9.9506100000e-01 -9.7625400000e-01  7.8960300000e-01  9.7893100000e-01 -1.0113250000e+00  1.7460240000e+00  1.9651900000e-01 -1.4295910000e+00  5.1932900000e-01 -9.5173000000e-01  1.0664570000e+00 -8.4813200000e-01 -1.5509910000e+00  3.3419700000e-01 -9.9274500000e-01 -1.9378800000e-01  6.7427000000e-01 -4.1460500000e-01
+ENERGY -1.526574672110e+02
+FORCES -1.5257000000e-03 -4.2715000000e-03  5.5044000000e-03 -6.6600000000e-05 -3.5400000000e-04 -4.6674000000e-03  2.7838000000e-03  4.7663000000e-03 -9.4300000000e-05  3.3543000000e-03 -4.4262000000e-03  2.1546000000e-03  2.5136000000e-03  1.8333000000e-03  1.2450000000e-03 -7.0594000000e-03  2.4521000000e-03 -4.1423000000e-03
+
+JOB 47
+COORDS -6.0848600000e-01 -3.8288200000e-01  1.5199300000e+00 -1.0514320000e+00 -1.2294220000e+00  1.5782380000e+00 -3.2250800000e-01 -3.2394800000e-01  6.0835200000e-01  6.2799800000e-01  4.4930500000e-01 -1.4104430000e+00  1.1181070000e+00  6.4533600000e-01 -2.2089400000e+00 -4.3914000000e-02 -1.7335800000e-01 -1.6880340000e+00
+ENERGY -1.526557207298e+02
+FORCES  1.6134000000e-03 -1.3452000000e-03 -3.7662000000e-03  1.7005000000e-03  3.3542000000e-03 -1.0344000000e-03 -5.0561000000e-03 -3.3926000000e-03  3.9173000000e-03  1.5194000000e-03  3.5230000000e-04 -6.7672000000e-03 -2.6766000000e-03 -1.0151000000e-03  2.9298000000e-03  2.8993000000e-03  2.0464000000e-03  4.7208000000e-03
+
+JOB 48
+COORDS -7.8658300000e-01  9.6235100000e-01  1.1490260000e+00 -2.8874100000e-01  2.8900600000e-01  6.8535400000e-01 -1.6794600000e+00  6.1917600000e-01  1.1841350000e+00  7.7636400000e-01 -9.3864600000e-01 -1.0741570000e+00  1.4814330000e+00 -2.9474000000e-01 -1.0071090000e+00  6.6395900000e-01 -1.0743510000e+00 -2.0149970000e+00
+ENERGY -1.526591708569e+02
+FORCES -1.2620000000e-03 -6.2234000000e-03 -3.7406000000e-03 -1.1737000000e-03  5.8990000000e-03  5.3015000000e-03  2.7412000000e-03  1.6439000000e-03  2.1680000000e-04  2.7995000000e-03  1.0829000000e-03 -6.4548000000e-03 -4.4275000000e-03 -2.7845000000e-03  7.8000000000e-04  1.3225000000e-03  3.8220000000e-04  3.8970000000e-03
+
+JOB 49
+COORDS -8.2979000000e-01  1.3295330000e+00  4.6684300000e-01 -1.7256640000e+00  1.3446410000e+00  8.0361100000e-01 -9.2469200000e-01  1.4760450000e+00 -4.7430500000e-01  8.3119200000e-01 -1.3623890000e+00 -4.6357600000e-01  9.1523700000e-01 -8.3950100000e-01  3.3376700000e-01  1.7330620000e+00 -1.5262890000e+00 -7.3925600000e-01
+ENERGY -1.526575543713e+02
+FORCES -4.7456000000e-03  1.5210000000e-04 -3.9379000000e-03  3.6089000000e-03  1.2120000000e-04 -1.3912000000e-03 -8.2000000000e-05  8.6840000000e-04  4.4147000000e-03  2.6503000000e-03  2.6843000000e-03  3.6983000000e-03  2.1660000000e-03 -4.9165000000e-03 -3.7193000000e-03 -3.5976000000e-03  1.0905000000e-03  9.3540000000e-04
+
+JOB 50
+COORDS  6.9656400000e-01 -1.1687850000e+00 -9.1912700000e-01  3.1463100000e-01 -1.8629230000e+00 -1.4562790000e+00  1.1959570000e+00 -1.6326810000e+00 -2.4708600000e-01 -6.9117000000e-01  1.2697410000e+00  8.5577400000e-01 -6.1937700000e-01  3.3228100000e-01  1.0353490000e+00 -1.0134650000e+00  1.6469050000e+00  1.6743740000e+00
+ENERGY -1.526545722818e+02
+FORCES  1.7991000000e-03 -4.9574000000e-03 -1.9241000000e-03  1.7408000000e-03  3.0484000000e-03  2.6197000000e-03 -3.4438000000e-03  2.5188000000e-03 -1.9341000000e-03 -4.2340000000e-04 -3.6060000000e-03  2.1180000000e-03 -1.2084000000e-03  4.8034000000e-03  2.5950000000e-03  1.5358000000e-03 -1.8071000000e-03 -3.4745000000e-03
+
+JOB 51
+COORDS  1.6086800000e+00 -4.7271700000e-01 -3.5415300000e-01  1.9943670000e+00 -6.2615400000e-01 -1.2166700000e+00  8.3784800000e-01 -1.0397640000e+00 -3.3163600000e-01 -1.5737950000e+00  4.6231600000e-01  3.6097800000e-01 -2.4312170000e+00  8.2384100000e-01  5.8538500000e-01 -9.5154800000e-01  9.9578000000e-01  8.5540400000e-01
+ENERGY -1.526575446968e+02
+FORCES -2.9671000000e-03 -3.0429000000e-03 -4.0444000000e-03 -1.2782000000e-03  3.7080000000e-04  3.3132000000e-03  5.4772000000e-03  1.6014000000e-03  6.1400000000e-05 -5.6420000000e-04  4.6255000000e-03  2.9394000000e-03  3.6429000000e-03 -1.1267000000e-03 -9.0860000000e-04 -4.3107000000e-03 -2.4281000000e-03 -1.3610000000e-03
+
+JOB 52
+COORDS  6.1010600000e-01  1.1628190000e+00  1.1368970000e+00  2.6001600000e-01  7.0968400000e-01  3.6986500000e-01  5.0549400000e-01  2.0925870000e+00  9.3485700000e-01 -5.7550600000e-01 -1.2455330000e+00 -1.0536240000e+00 -1.1178240000e+00 -5.1846200000e-01 -7.4786300000e-01 -2.5213500000e-01 -9.6082300000e-01 -1.9083770000e+00
+ENERGY -1.526538437632e+02
+FORCES -2.9770000000e-04  3.5040000000e-04 -3.7777000000e-03 -1.6866000000e-03  4.7926000000e-03  3.0835000000e-03  3.5800000000e-05 -4.2941000000e-03  3.2470000000e-04 -2.8736000000e-03  9.6630000000e-04 -4.1873000000e-03  6.1945000000e-03 -1.1833000000e-03 -1.8540000000e-04 -1.3723000000e-03 -6.3200000000e-04  4.7423000000e-03
+
+JOB 53
+COORDS -7.3758000000e-02  1.2819270000e+00  1.0597830000e+00 -9.9966000000e-02  1.4431520000e+00  2.0029430000e+00 -7.7736000000e-01  1.8246280000e+00  7.0390200000e-01  1.2115200000e-01 -1.3561730000e+00 -1.0426590000e+00  8.3000800000e-01 -1.2513680000e+00 -1.6773010000e+00 -6.0936600000e-01 -8.6234000000e-01 -1.4150890000e+00
+ENERGY -1.526520689798e+02
+FORCES -2.7497000000e-03  1.9731000000e-03  3.0624000000e-03  2.5090000000e-04 -5.8220000000e-04 -4.0794000000e-03  2.8785000000e-03 -2.7171000000e-03  6.0260000000e-04  2.5010000000e-04  4.5978000000e-03 -2.3371000000e-03 -2.8418000000e-03 -8.1810000000e-04  2.2479000000e-03  2.2121000000e-03 -2.4535000000e-03  5.0370000000e-04
+
+JOB 54
+COORDS  1.1451080000e+00 -1.1185670000e+00  7.6525000000e-01  8.1130400000e-01 -1.3278440000e+00 -1.0710800000e-01  3.6124000000e-01 -1.0317690000e+00  1.3076980000e+00 -1.0934800000e+00  1.1453390000e+00 -6.8541800000e-01 -1.6823410000e+00  8.7481700000e-01 -1.3898980000e+00 -2.1690100000e-01  1.0663380000e+00 -1.0617170000e+00
+ENERGY -1.526557059616e+02
+FORCES -6.5757000000e-03  5.5600000000e-05 -4.1990000000e-04  2.4344000000e-03  1.2681000000e-03  2.2273000000e-03  4.2416000000e-03 -1.6944000000e-03 -1.3755000000e-03  1.7186000000e-03  7.9010000000e-04 -4.5052000000e-03  2.9132000000e-03  3.3380000000e-04  3.2902000000e-03 -4.7321000000e-03 -7.5320000000e-04  7.8310000000e-04
+
+JOB 55
+COORDS  3.9445000000e-01 -9.3917400000e-01 -1.3723120000e+00  5.3444000000e-02 -1.4480880000e+00 -6.3681700000e-01  8.9372300000e-01 -1.5706980000e+00 -1.8901300000e+00 -3.7110800000e-01  9.4874500000e-01  1.3922190000e+00 -1.1365340000e+00  1.4360140000e+00  1.6970550000e+00 -1.2807900000e-01  1.3736680000e+00  5.6965600000e-01
+ENERGY -1.526574967310e+02
+FORCES  5.1910000000e-04 -5.0964000000e-03  1.7971000000e-03  1.7249000000e-03  1.0068000000e-03 -4.8559000000e-03 -2.1016000000e-03  2.3400000000e-03  2.2227000000e-03 -1.3538000000e-03  4.3382000000e-03 -3.0784000000e-03  3.0129000000e-03 -2.0094000000e-03 -1.2761000000e-03 -1.8015000000e-03 -5.7920000000e-04  5.1906000000e-03
+
+JOB 56
+COORDS -6.1051900000e-01  1.5246170000e+00 -8.4832600000e-01  2.1446800000e-01  1.0591920000e+00 -9.8619700000e-01 -1.1257080000e+00  9.4023500000e-01 -2.9216900000e-01  5.4900100000e-01 -1.5129780000e+00  8.1548000000e-01  9.2119600000e-01 -9.5881900000e-01  1.2946900000e-01  9.6221000000e-01 -1.2060140000e+00  1.6224890000e+00
+ENERGY -1.526537336164e+02
+FORCES -1.3870000000e-04 -4.7374000000e-03  1.8919000000e-03 -1.9888000000e-03  6.0600000000e-04  1.3628000000e-03  2.4894000000e-03  3.7765000000e-03 -2.9840000000e-03  4.7472000000e-03  2.1251000000e-03  1.6771000000e-03 -3.0344000000e-03 -4.2010000000e-04  1.9104000000e-03 -2.0747000000e-03 -1.3501000000e-03 -3.8582000000e-03
+
+JOB 57
+COORDS  6.2518800000e-01 -3.9174000000e-02  1.7425630000e+00 -2.4449000000e-02 -6.1496400000e-01  1.3392420000e+00  1.3678140000e+00 -6.1203600000e-01  1.9337920000e+00 -5.7871900000e-01  8.1961000000e-02 -1.7704660000e+00 -9.8167400000e-01  9.4999000000e-01 -1.7901080000e+00 -1.0263810000e+00 -3.7437100000e-01 -1.0580110000e+00
+ENERGY -1.526526971212e+02
+FORCES  1.7841000000e-03 -4.8617000000e-03 -1.6867000000e-03  9.6590000000e-04  2.4880000000e-03  1.0129000000e-03 -3.2436000000e-03  2.3926000000e-03 -3.4640000000e-04 -2.9764000000e-03  3.2436000000e-03  3.1646000000e-03  1.2760000000e-03 -3.9156000000e-03 -4.9560000000e-04  2.1939000000e-03  6.5320000000e-04 -1.6489000000e-03
+
+JOB 58
+COORDS -3.4557300000e-01 -1.9810600000e-01 -1.8699980000e+00 -1.1570650000e+00  2.9393100000e-01 -1.7450540000e+00 -5.6933700000e-01 -1.0960970000e+00 -1.6255110000e+00  3.7438900000e-01  1.6469800000e-01  1.8406820000e+00  4.7762900000e-01  7.1089900000e-01  2.6199360000e+00  8.2908500000e-01  6.4518800000e-01  1.1488630000e+00
+ENERGY -1.526563670785e+02
+FORCES -4.9934000000e-03 -2.6069000000e-03  1.8490000000e-03  3.5115000000e-03 -1.6146000000e-03 -8.9350000000e-04  8.9540000000e-04  3.6862000000e-03 -1.8889000000e-03  2.8714000000e-03  4.0395000000e-03 -5.0700000000e-04 -5.4260000000e-04 -2.0642000000e-03 -3.2511000000e-03 -1.7422000000e-03 -1.4399000000e-03  4.6915000000e-03
+
+JOB 59
+COORDS  2.3200200000e-01  1.0660160000e+00 -1.5137140000e+00  6.4267300000e-01  1.7464420000e+00 -9.8023400000e-01  2.5791600000e-01  1.4121660000e+00 -2.4057570000e+00 -2.3784200000e-01 -1.1087130000e+00  1.5992080000e+00 -8.4647300000e-01 -1.8009320000e+00  1.3410750000e+00  4.4761000000e-02 -7.1714300000e-01  7.7274600000e-01
+ENERGY -1.526573525587e+02
+FORCES  1.5574000000e-03  5.2261000000e-03 -3.1083000000e-03 -1.6705000000e-03 -3.5737000000e-03 -2.1473000000e-03  4.1000000000e-06 -9.6110000000e-04  3.7992000000e-03 -1.5749000000e-03 -7.7440000000e-04 -5.8801000000e-03  2.2425000000e-03  2.2434000000e-03  1.4342000000e-03 -5.5860000000e-04 -2.1603000000e-03  5.9024000000e-03
+
+JOB 60
+COORDS -1.9152760000e+00  4.6472000000e-01  2.5515400000e-01 -1.9651440000e+00 -3.9744800000e-01  6.6796300000e-01 -2.7675050000e+00  8.6404300000e-01  4.2973500000e-01  1.9194800000e+00 -4.2914100000e-01 -2.5205500000e-01  2.8461610000e+00 -3.0860700000e-01 -4.4775000000e-02  1.9155160000e+00 -7.5967800000e-01 -1.1503650000e+00
+ENERGY -1.526534348405e+02
+FORCES -2.7655000000e-03 -2.2621000000e-03  2.8725000000e-03 -7.3620000000e-04  3.5013000000e-03 -1.8668000000e-03  3.5952000000e-03 -1.4955000000e-03 -7.9970000000e-04  3.3987000000e-03 -1.1930000000e-04 -3.2751000000e-03 -3.8338000000e-03 -5.4040000000e-04 -7.5490000000e-04  3.4170000000e-04  9.1590000000e-04  3.8240000000e-03
+
+JOB 61
+COORDS -1.4020880000e+00  9.7150100000e-01 -1.1093270000e+00 -9.1913300000e-01  1.4740700000e-01 -1.0472440000e+00 -2.1225910000e+00  7.8271200000e-01 -1.7105480000e+00  1.3610940000e+00 -9.1053100000e-01  1.0997330000e+00  1.4241440000e+00 -7.0304100000e-01  2.0320440000e+00  2.2254480000e+00 -1.2522570000e+00  8.7093800000e-01
+ENERGY -1.526558991239e+02
+FORCES  8.7300000000e-05 -4.6760000000e-03 -1.2220000000e-03 -3.5207000000e-03  3.8722000000e-03 -2.0531000000e-03  2.8144000000e-03  7.5030000000e-04  2.3274000000e-03  4.1369000000e-03  8.9400000000e-05  3.8663000000e-03  1.6600000000e-04 -1.3129000000e-03 -3.7775000000e-03 -3.6839000000e-03  1.2770000000e-03  8.5890000000e-04
+
+JOB 62
+COORDS -7.3251000000e-02  1.2219360000e+00 -1.6961290000e+00  3.2791400000e-01  1.2227640000e+00 -8.2705000000e-01 -1.0107990000e+00  1.1279650000e+00 -1.5275890000e+00  6.5328000000e-02 -1.1655370000e+00  1.6588740000e+00  2.0967100000e-01 -2.0190250000e+00  2.0674760000e+00  6.0157100000e-01 -1.1851730000e+00  8.6622700000e-01
+ENERGY -1.526554389637e+02
+FORCES -3.1431000000e-03  6.7170000000e-04  4.6120000000e-03 -7.5840000000e-04 -1.1096000000e-03 -4.1608000000e-03  4.0040000000e-03  4.1790000000e-04 -1.2856000000e-03  2.8616000000e-03 -4.8589000000e-03 -1.0373000000e-03 -5.7540000000e-04  3.5113000000e-03 -1.7226000000e-03 -2.3888000000e-03  1.3676000000e-03  3.5944000000e-03
+
+JOB 63
+COORDS  5.9729100000e-01  6.8279000000e-01  1.9408230000e+00 -1.5358900000e-01  8.9633600000e-01  1.3869190000e+00  1.0342470000e+00 -3.7037000000e-02  1.4856860000e+00 -5.8884400000e-01 -7.1682900000e-01 -1.8841080000e+00 -1.5251700000e-01 -1.9542000000e-01 -2.5578910000e+00 -8.8257200000e-01 -7.5489000000e-02 -1.2370840000e+00
+ENERGY -1.526536145620e+02
+FORCES -8.6330000000e-04 -2.8476000000e-03 -3.5381000000e-03  2.7509000000e-03 -7.2040000000e-04  1.1730000000e-03 -1.9809000000e-03  3.7524000000e-03  2.1654000000e-03  1.1400000000e-05  4.7860000000e-03 -1.6980000000e-03 -1.8888000000e-03 -2.3254000000e-03  3.1476000000e-03  1.9707000000e-03 -2.6449000000e-03 -1.2499000000e-03
+
+JOB 64
+COORDS  2.8810700000e-01  7.6132500000e-01  1.8989610000e+00  1.1676350000e+00  1.0703800000e+00  1.6818270000e+00  3.5220100000e-01  4.7598600000e-01  2.8103910000e+00 -3.2596100000e-01 -7.4571400000e-01 -1.9969780000e+00 -2.9927800000e-01 -1.5984280000e+00 -1.5629280000e+00 -6.1909800000e-01 -1.3929700000e-01 -1.3168600000e+00
+ENERGY -1.526563516565e+02
+FORCES  4.2208000000e-03  5.5370000000e-04  3.7863000000e-03 -3.9008000000e-03 -1.4158000000e-03  9.4490000000e-04 -1.0330000000e-04  1.1590000000e-03 -3.8070000000e-03 -1.3505000000e-03 -6.5770000000e-04  5.6625000000e-03  8.6000000000e-06  2.8756000000e-03 -2.2492000000e-03  1.1252000000e-03 -2.5149000000e-03 -4.3375000000e-03
+
+JOB 65
+COORDS -4.6826400000e-01  1.8451290000e+00 -1.0287150000e+00  3.2202000000e-01  2.0853210000e+00 -5.4499100000e-01 -2.4187100000e-01  1.9930430000e+00 -1.9469200000e+00  3.7393300000e-01 -1.8125800000e+00  1.0631440000e+00  3.6533700000e-01 -2.3606460000e+00  2.7842600000e-01  9.8861500000e-01 -2.2483400000e+00  1.6534930000e+00
+ENERGY -1.526536466471e+02
+FORCES  4.4074000000e-03  1.0777000000e-03 -8.5860000000e-04 -3.1751000000e-03 -1.8990000000e-04 -2.4734000000e-03 -9.8590000000e-04 -7.7720000000e-04  3.5982000000e-03  1.7938000000e-03 -4.1116000000e-03 -1.2484000000e-03  3.8830000000e-04  1.9283000000e-03  3.4074000000e-03 -2.4284000000e-03  2.0727000000e-03 -2.4252000000e-03
+
+JOB 66
+COORDS  1.2214520000e+00 -1.6812130000e+00 -1.0154710000e+00  1.0203400000e+00 -1.5798640000e+00 -8.5140000000e-02  3.8032100000e-01 -1.5638370000e+00 -1.4570060000e+00 -1.1641990000e+00  1.6918740000e+00  9.2438700000e-01 -6.0207000000e-01  9.8823300000e-01  1.2486290000e+00 -1.6647360000e+00  1.9716460000e+00  1.6908220000e+00
+ENERGY -1.526536169749e+02
+FORCES -4.4278000000e-03  9.1690000000e-04  1.2524000000e-03  7.0380000000e-04  1.0700000000e-04 -3.2307000000e-03  3.7289000000e-03 -8.6660000000e-04  2.0889000000e-03  3.0890000000e-04 -8.1410000000e-04  4.8653000000e-03 -2.4527000000e-03  1.9407000000e-03 -1.6976000000e-03  2.1388000000e-03 -1.2840000000e-03 -3.2784000000e-03
+
+JOB 67
+COORDS -3.4777300000e-01  2.1954450000e+00 -6.2217200000e-01  2.3070500000e-01  1.5106610000e+00 -9.5783000000e-01 -1.0119800000e+00  2.3034770000e+00 -1.3029000000e+00  3.9784000000e-01 -2.1389310000e+00  7.0799600000e-01 -5.2552300000e-01 -2.0241740000e+00  9.3263500000e-01  3.8893600000e-01 -2.7128390000e+00 -5.8022000000e-02
+ENERGY -1.526545914186e+02
+FORCES  3.6150000000e-04 -2.5720000000e-03 -3.8424000000e-03 -2.8231000000e-03  3.4251000000e-03  7.1820000000e-04  2.5303000000e-03 -6.0300000000e-04  2.8037000000e-03 -4.0895000000e-03 -2.2296000000e-03 -1.2742000000e-03  3.9307000000e-03 -7.9360000000e-04 -1.2793000000e-03  9.0200000000e-05  2.7731000000e-03  2.8739000000e-03
+
+JOB 68
+COORDS  2.9326900000e-01 -1.6217930000e+00 -1.8021100000e+00  1.0501210000e+00 -1.3928870000e+00 -1.2626580000e+00 -4.2113300000e-01 -1.0900210000e+00 -1.4512830000e+00 -2.8316100000e-01  1.5248560000e+00  1.7057430000e+00 -7.4328200000e-01  2.3373960000e+00  1.4952650000e+00 -6.6054000000e-02  1.6056640000e+00  2.6344870000e+00
+ENERGY -1.526556602798e+02
+FORCES  9.3600000000e-05  3.6501000000e-03  4.4864000000e-03 -2.5763000000e-03 -1.4370000000e-03 -2.6594000000e-03  2.5174000000e-03 -2.5234000000e-03 -2.2859000000e-03 -1.0153000000e-03  4.0181000000e-03  3.5423000000e-03  1.8742000000e-03 -3.4835000000e-03  7.9590000000e-04 -8.9360000000e-04 -2.2430000000e-04 -3.8793000000e-03
+
+JOB 69
+COORDS -5.1012300000e-01 -2.4211840000e+00 -2.5671400000e-01  3.9148500000e-01 -2.2668740000e+00  2.5287000000e-02 -9.2655100000e-01 -1.5605350000e+00 -2.1085400000e-01  4.3967500000e-01  2.3033540000e+00  2.3459500000e-01  1.3722990000e+00  2.3428400000e+00  2.2735000000e-02  2.1282300000e-01  3.1983570000e+00  4.8706200000e-01
+ENERGY -1.526554081871e+02
+FORCES  1.8598000000e-03  4.9822000000e-03  1.4806000000e-03 -3.2753000000e-03 -1.1055000000e-03 -1.2039000000e-03  1.3704000000e-03 -4.3544000000e-03 -3.3660000000e-04  2.8318000000e-03  4.5888000000e-03  1.6780000000e-04 -3.8610000000e-03 -4.3720000000e-04  9.6120000000e-04  1.0743000000e-03 -3.6739000000e-03 -1.0691000000e-03
+
+JOB 70
+COORDS  7.8025200000e-01  6.6326000000e-01 -2.3116540000e+00  9.0182700000e-01  1.6127070000e+00 -2.3102590000e+00  6.4646000000e-01  4.3979800000e-01 -3.2327380000e+00 -7.8261600000e-01 -6.8573600000e-01  2.2955980000e+00 -1.4843000000e-02 -1.0268600000e+00  2.7542800000e+00 -1.4607920000e+00 -6.3316300000e-01  2.9690550000e+00
+ENERGY -1.526533037728e+02
+FORCES -4.4630000000e-04  2.9933000000e-03 -3.3582000000e-03 -3.1210000000e-04 -3.8435000000e-03 -1.9540000000e-04  6.2240000000e-04  8.7500000000e-04  3.7198000000e-03  6.8210000000e-04 -1.2770000000e-03  4.2626000000e-03 -3.2523000000e-03  1.4021000000e-03 -1.6306000000e-03  2.7063000000e-03 -1.4990000000e-04 -2.7982000000e-03
+
+JOB 71
+COORDS -1.3342370000e+00 -1.0701890000e+00  1.9200260000e+00 -1.7002540000e+00 -8.4341000000e-01  1.0651370000e+00 -2.0986030000e+00 -1.2296310000e+00  2.4736990000e+00  1.3687440000e+00  1.1166790000e+00 -1.9207960000e+00  2.3195460000e+00  1.0980930000e+00 -1.8118800000e+00  1.0813320000e+00  2.3855600000e-01 -1.6707430000e+00
+ENERGY -1.526543663420e+02
+FORCES -4.9450000000e-03  6.4200000000e-04 -8.8430000000e-04  1.8575000000e-03 -1.3039000000e-03  3.2500000000e-03  3.1249000000e-03  5.8890000000e-04 -2.2753000000e-03  3.0985000000e-03 -3.6667000000e-03  1.9115000000e-03 -3.8274000000e-03  1.2590000000e-04 -6.7760000000e-04  6.9150000000e-04  3.6138000000e-03 -1.3243000000e-03
+
+JOB 72
+COORDS -8.0998600000e-01 -1.6548960000e+00  1.8898300000e+00 -6.6177500000e-01 -2.5946760000e+00  1.7845730000e+00 -1.7362570000e+00 -1.5331960000e+00  1.6814020000e+00  8.7848000000e-01  1.6705740000e+00 -1.8145970000e+00  3.5884900000e-01  1.2501490000e+00 -2.4997680000e+00  9.5295400000e-01  2.5826110000e+00 -2.0954420000e+00
+ENERGY -1.526533498810e+02
+FORCES -2.9504000000e-03 -3.0379000000e-03 -1.4869000000e-03 -6.6140000000e-04  3.7868000000e-03  4.5630000000e-04  3.6627000000e-03 -6.2460000000e-04  8.9650000000e-04 -1.8207000000e-03  1.8635000000e-03 -3.6865000000e-03  2.0771000000e-03  1.7463000000e-03  2.6769000000e-03 -3.0740000000e-04 -3.7341000000e-03  1.1437000000e-03
+
+JOB 73
+COORDS  3.7895100000e-01  2.7304900000e+00  1.3294600000e-01  1.6319200000e-01  2.8732890000e+00 -7.8862200000e-01  8.9868900000e-01  1.9266890000e+00  1.3598000000e-01 -3.8538500000e-01 -2.6316040000e+00 -1.1657600000e-01 -1.1794550000e+00 -2.8819290000e+00  3.5567600000e-01  2.2502800000e-01 -3.3517360000e+00  4.1660000000e-02
+ENERGY -1.526548309395e+02
+FORCES  1.0280000000e-03 -3.3736000000e-03 -3.8111000000e-03  8.9700000000e-04 -2.4150000000e-04  3.6660000000e-03 -1.7531000000e-03  3.8374000000e-03  1.0190000000e-04 -1.0931000000e-03 -4.1591000000e-03  2.7112000000e-03  3.3398000000e-03  8.9310000000e-04 -1.9974000000e-03 -2.4187000000e-03  3.0438000000e-03 -6.7060000000e-04
+
+JOB 74
+COORDS -6.2672600000e-01  2.6201280000e+00 -2.7083800000e-01 -1.5420520000e+00  2.4317720000e+00 -4.7803600000e-01 -4.5391200000e-01  3.4624750000e+00 -6.9133600000e-01  6.5093900000e-01 -2.7226580000e+00  3.2917900000e-01  5.4381700000e-01 -1.9046810000e+00  8.1463900000e-01  1.0908080000e+00 -2.4650560000e+00 -4.8099800000e-01
+ENERGY -1.526549866636e+02
+FORCES -3.2004000000e-03  3.1046000000e-03 -2.5634000000e-03  3.8843000000e-03  6.7580000000e-04  8.5270000000e-04 -7.3610000000e-04 -3.4933000000e-03  1.6827000000e-03  1.4280000000e-03  4.8829000000e-03 -1.2717000000e-03  3.6090000000e-04 -3.8036000000e-03 -1.8290000000e-03 -1.7367000000e-03 -1.3664000000e-03  3.1287000000e-03
+
+JOB 75
+COORDS  4.2795000000e-01 -1.4748230000e+00  2.3718220000e+00  7.6480100000e-01 -7.8588600000e-01  1.7989960000e+00 -4.6605800000e-01 -1.6261650000e+00  2.0651020000e+00 -3.8097900000e-01  1.4409360000e+00 -2.3840710000e+00 -1.0173700000e+00  9.0713700000e-01 -1.9083630000e+00 -8.6277000000e-02  2.0896010000e+00 -1.7448400000e+00
+ENERGY -1.526535393877e+02
+FORCES -1.9683000000e-03  1.8068000000e-03 -3.5297000000e-03 -1.7516000000e-03 -2.5864000000e-03  2.3737000000e-03  3.6162000000e-03  9.1080000000e-04  1.1264000000e-03 -1.6475000000e-03  9.2700000000e-04  3.9595000000e-03  2.9122000000e-03  2.0065000000e-03 -1.5395000000e-03 -1.1611000000e-03 -3.0647000000e-03 -2.3905000000e-03
+
+JOB 76
+COORDS  2.2658700000e-01  2.1360930000e+00 -1.6889930000e+00  8.1237600000e-01  2.4030050000e+00 -2.3974010000e+00 -4.0747000000e-01  2.8498560000e+00 -1.6201010000e+00 -2.8693100000e-01 -2.1948940000e+00  1.6900060000e+00 -6.3119000000e-02 -2.5737240000e+00  2.5400820000e+00  5.1603000000e-01 -1.7608040000e+00  1.4018190000e+00
+ENERGY -1.526542520861e+02
+FORCES -6.1940000000e-04  4.0028000000e-03 -2.6870000000e-03 -2.2879000000e-03 -1.1232000000e-03  2.9692000000e-03  2.7480000000e-03 -2.7970000000e-03 -3.4610000000e-04  4.2459000000e-03  7.1660000000e-04  1.8576000000e-03 -9.4940000000e-04  1.4813000000e-03 -3.3838000000e-03 -3.1371000000e-03 -2.2805000000e-03  1.5902000000e-03
+
+JOB 77
+COORDS -1.8453300000e-01  2.5978570000e+00 -1.1806280000e+00  6.3924900000e-01  3.0692200000e+00 -1.0564030000e+00 -7.3781900000e-01  3.2064900000e+00 -1.6701910000e+00  1.4756600000e-01 -2.7111390000e+00  1.1642390000e+00 -3.9418200000e-01 -2.1017960000e+00  1.6656800000e+00  1.0442440000e+00 -2.4077510000e+00  1.3062130000e+00
+ENERGY -1.526541782199e+02
+FORCES  1.0042000000e-03  4.3920000000e-03 -1.8356000000e-03 -3.3383000000e-03 -1.9876000000e-03 -3.4430000000e-04  2.2971000000e-03 -2.4297000000e-03  2.0748000000e-03  1.2824000000e-03  4.2877000000e-03  2.1973000000e-03  2.2120000000e-03 -2.8044000000e-03 -1.6952000000e-03 -3.4575000000e-03 -1.4581000000e-03 -3.9690000000e-04
+
+JOB 78
+COORDS  4.5651400000e-01 -1.8169070000e+00  2.4740370000e+00 -4.9810300000e-01 -1.8257780000e+00  2.4043380000e+00  7.6380300000e-01 -1.8899200000e+00  1.5704470000e+00 -3.9998300000e-01  1.8729110000e+00 -2.4462520000e+00 -1.2906590000e+00  1.7009620000e+00 -2.1407020000e+00  9.2395000000e-02  1.0885670000e+00 -2.2041770000e+00
+ENERGY -1.526535304777e+02
+FORCES -2.5473000000e-03 -5.2360000000e-04 -3.6336000000e-03  3.9533000000e-03  1.3740000000e-04  6.4500000000e-05 -1.4171000000e-03  4.9660000000e-04  3.4803000000e-03 -1.5949000000e-03 -3.6116000000e-03  2.1683000000e-03  3.7095000000e-03  5.1980000000e-04 -1.2052000000e-03 -2.1035000000e-03  2.9814000000e-03 -8.7430000000e-04
+
+JOB 79
+COORDS -8.2502500000e-01  2.5673530000e+00 -1.5715590000e+00 -1.1184010000e+00  2.0012420000e+00 -2.2854780000e+00 -7.3807600000e-01  3.4325840000e+00 -1.9716180000e+00  8.5379900000e-01 -2.5932040000e+00  1.6997860000e+00  5.2943800000e-01 -1.7831910000e+00  1.3062110000e+00  8.7059300000e-01 -3.2210460000e+00  9.7745400000e-01
+ENERGY -1.526543902567e+02
+FORCES -9.0560000000e-04  1.6619000000e-03 -4.6061000000e-03  1.2917000000e-03  2.0772000000e-03  3.0424000000e-03 -3.8230000000e-04 -3.6038000000e-03  1.5775000000e-03 -1.2594000000e-03  1.1040000000e-03 -4.5048000000e-03  1.3337000000e-03 -3.6864000000e-03  1.6027000000e-03 -7.8000000000e-05  2.4470000000e-03  2.8882000000e-03
+
+JOB 80
+COORDS  1.1607730000e+00  2.4388640000e+00 -2.0301660000e+00  1.2535600000e+00  3.3478460000e+00 -2.3154250000e+00  1.2581250000e+00  1.9246850000e+00 -2.8316490000e+00 -1.1739120000e+00 -2.4157990000e+00  2.1382780000e+00 -4.7756400000e-01 -3.0411600000e+00  1.9376400000e+00 -1.8207060000e+00 -2.5461930000e+00  1.4448180000e+00
+ENERGY -1.526538292814e+02
+FORCES  7.7850000000e-04  1.6982000000e-03 -4.3205000000e-03 -3.7570000000e-04 -3.7340000000e-03  1.1288000000e-03 -4.2080000000e-04  2.0218000000e-03  3.2596000000e-03  3.4560000000e-04 -2.7627000000e-03 -3.8050000000e-03 -2.8814000000e-03  2.4084000000e-03  8.6570000000e-04  2.5538000000e-03  3.6830000000e-04  2.8714000000e-03
+
+JOB 81
+COORDS -1.2264260000e+00  3.2844140000e+00  1.1906330000e+00 -2.1807840000e+00  3.3579920000e+00  1.1949080000e+00 -1.0282450000e+00  2.6908030000e+00  1.9149130000e+00  1.2966630000e+00 -3.3187400000e+00 -1.2264160000e+00  1.5830090000e+00 -2.5541590000e+00 -1.7260690000e+00  5.1694800000e-01 -3.0209400000e+00 -7.5781100000e-01
+ENERGY -1.526541938587e+02
+FORCES -3.1381000000e-03 -1.8293000000e-03  3.1518000000e-03  3.9358000000e-03 -4.0540000000e-04 -6.6600000000e-05 -7.9770000000e-04  2.2780000000e-03 -3.1028000000e-03 -1.9714000000e-03  4.4416000000e-03 -2.3550000000e-04 -1.1630000000e-03 -3.2071000000e-03  2.0574000000e-03  3.1345000000e-03 -1.2778000000e-03 -1.8043000000e-03
+
+JOB 82
+COORDS -1.9084550000e+00  8.3988200000e-01  3.5023070000e+00 -1.4763280000e+00  1.2326400000e-01  3.0375940000e+00 -1.4623330000e+00  1.6289250000e+00  3.1947060000e+00  1.8316820000e+00 -7.8720100000e-01 -3.4501040000e+00  2.5050870000e+00 -9.7611900000e-01 -4.1036070000e+00  1.6948850000e+00 -1.6201510000e+00 -2.9987590000e+00
+ENERGY -1.526542014304e+02
+FORCES  3.5890000000e-03  3.8210000000e-04 -3.2877000000e-03 -1.7640000000e-03  2.8205000000e-03  1.9665000000e-03 -1.8275000000e-03 -3.2215000000e-03  1.3499000000e-03  2.2212000000e-03 -4.2027000000e-03 -1.0363000000e-03 -2.7508000000e-03  7.6520000000e-04  2.7104000000e-03  5.3210000000e-04  3.4564000000e-03 -1.7028000000e-03
+
+JOB 83
+COORDS -3.6246800000e-01  3.8880830000e+00  1.1240300000e+00  3.4937600000e-01  3.3028160000e+00  1.3828210000e+00 -2.8495300000e-01  4.6364940000e+00  1.7157250000e+00  2.9179700000e-01 -3.9540700000e+00 -1.1588940000e+00  8.7647600000e-01 -3.3780300000e+00 -6.6639000000e-01  8.1395000000e-02 -3.4611950000e+00 -1.9520120000e+00
+ENERGY -1.526540670263e+02
+FORCES  3.1415000000e-03  7.9030000000e-04  3.5755000000e-03 -2.8711000000e-03  2.2844000000e-03 -1.1524000000e-03 -2.8780000000e-04 -3.0796000000e-03 -2.4353000000e-03  1.4114000000e-03  4.4101000000e-03 -1.2781000000e-03 -2.3162000000e-03 -2.3504000000e-03 -1.9529000000e-03  9.2230000000e-04 -2.0548000000e-03  3.2431000000e-03
+
+JOB 84
+COORDS -7.2747000000e-02 -4.2475110000e+00 -1.5775190000e+00 -1.8830300000e-01 -4.5563740000e+00 -6.7891800000e-01  1.9394000000e-01 -3.3329300000e+00 -1.4845050000e+00  1.1607400000e-01  4.2373630000e+00  1.5517150000e+00 -9.1408000000e-02  4.2697420000e+00  6.1783400000e-01 -6.1818700000e-01  3.7652990000e+00  1.9444600000e+00
+ENERGY -1.526540515977e+02
+FORCES  7.2590000000e-04  2.3999000000e-03  4.0595000000e-03  4.2470000000e-04  1.2926000000e-03 -3.6757000000e-03 -1.1721000000e-03 -3.6882000000e-03 -3.9210000000e-04 -3.8937000000e-03 -1.6037000000e-03 -2.1926000000e-03  8.7170000000e-04 -2.3010000000e-04  3.8261000000e-03  3.0435000000e-03  1.8294000000e-03 -1.6251000000e-03
+
+JOB 85
+COORDS  1.4678710000e+00 -3.6868050000e+00  2.3781770000e+00  5.4744700000e-01 -3.9071070000e+00  2.5214220000e+00  1.9074560000e+00 -4.5332430000e+00  2.2973120000e+00 -1.4492500000e+00  3.8118210000e+00 -2.3640100000e+00 -1.8349290000e+00  3.3602390000e+00 -3.1147140000e+00 -8.8760600000e-01  3.1554600000e+00 -1.9517270000e+00
+ENERGY -1.526541724017e+02
+FORCES -1.9212000000e-03 -4.4053000000e-03  3.7150000000e-04  3.7460000000e-03  9.3010000000e-04 -6.5020000000e-04 -1.8104000000e-03  3.4661000000e-03  2.9500000000e-04  8.0040000000e-04 -4.5499000000e-03 -1.3217000000e-03  1.5329000000e-03  1.8509000000e-03  3.0361000000e-03 -2.3477000000e-03  2.7081000000e-03 -1.7306000000e-03
+
+JOB 86
+COORDS -4.8476200000e-01  2.7410340000e+00 -3.8186110000e+00 -2.6377800000e-01  2.5563240000e+00 -4.7314520000e+00 -1.4370700000e+00  2.8376740000e+00 -3.8170550000e+00  5.4371500000e-01 -2.7751650000e+00  3.9171780000e+00 -2.8298700000e-01 -2.2977880000e+00  3.8471320000e+00  1.0170650000e+00 -2.5543360000e+00  3.1150520000e+00
+ENERGY -1.526542077293e+02
+FORCES -2.9681000000e-03 -2.6610000000e-04 -3.8124000000e-03 -9.1060000000e-04  7.2560000000e-04  3.7507000000e-03  3.8861000000e-03 -4.4090000000e-04  4.5600000000e-05 -1.4011000000e-03  2.9316000000e-03 -3.6082000000e-03  3.3269000000e-03 -1.9858000000e-03  3.2350000000e-04 -1.9333000000e-03 -9.6440000000e-04  3.3009000000e-03
+
+JOB 87
+COORDS -1.3558350000e+00  1.1663370000e+00  4.8668330000e+00 -1.5857180000e+00  1.5618040000e+00  5.7076610000e+00 -4.7313300000e-01  1.4880660000e+00  4.6836440000e+00  1.2845060000e+00 -1.2611360000e+00 -4.9017860000e+00  9.7122800000e-01 -3.8441400000e-01 -5.1241550000e+00  2.2108860000e+00 -1.1393940000e+00 -4.6938660000e+00
+ENERGY -1.526540045004e+02
+FORCES  2.6530000000e-03  2.8838000000e-03  2.6861000000e-03  9.4310000000e-04 -1.6021000000e-03 -3.4368000000e-03 -3.5942000000e-03 -1.2875000000e-03  7.4080000000e-04  2.4491000000e-03  4.0683000000e-03 -1.4900000000e-05  1.3084000000e-03 -3.5714000000e-03  8.8360000000e-04 -3.7594000000e-03 -4.9110000000e-04 -8.5890000000e-04
+
+JOB 88
+COORDS  3.5521100000e-01  4.6683960000e+00 -2.4916450000e+00 -3.7755400000e-01  4.3240850000e+00 -1.9810220000e+00  3.8887000000e-02  4.6689750000e+00 -3.3950660000e+00 -2.9343100000e-01 -4.5969160000e+00  2.5522980000e+00  4.3437100000e-01 -5.1187120000e+00  2.2142670000e+00 -1.0745790000e+00 -5.0024900000e+00  2.1760680000e+00
+ENERGY -1.526540705101e+02
+FORCES -4.2781000000e-03 -1.4355000000e-03 -1.5369000000e-03  2.9763000000e-03  1.4333000000e-03 -2.1285000000e-03  1.2942000000e-03  2.0000000000e-06  3.6636000000e-03 -1.6460000000e-04 -3.7971000000e-03 -2.8939000000e-03 -2.9943000000e-03  2.1214000000e-03  1.3731000000e-03  3.1665000000e-03  1.6759000000e-03  1.5226000000e-03
+
+JOB 89
+COORDS  2.3223000000e-02 -4.8834680000e+00 -3.7304080000e+00 -8.2330500000e-01 -4.6096660000e+00 -4.0834740000e+00  5.7465700000e-01 -4.1039400000e+00 -3.7973990000e+00 -8.7220000000e-03  4.8158470000e+00  3.6844440000e+00 -6.3458000000e-01  4.5055740000e+00  4.3388630000e+00  6.3994200000e-01  5.3083930000e+00  4.1873010000e+00
+ENERGY -1.526541314927e+02
+FORCES -1.2009000000e-03  4.3428000000e-03 -1.6851000000e-03  3.4430000000e-03 -1.1414000000e-03  1.4260000000e-03 -2.2424000000e-03 -3.2054000000e-03  2.5240000000e-04  9.8300000000e-05  7.4160000000e-04  4.7469000000e-03  2.5480000000e-03  1.2686000000e-03 -2.6805000000e-03 -2.6460000000e-03 -2.0061000000e-03 -2.0598000000e-03
+
+JOB 0
+COORDS -2.1866500000e-01 -1.0325740000e+00  5.4475000000e-01  4.3436200000e-01 -1.4359840000e+00  1.1166300000e+00 -1.0174470000e+00 -1.0092280000e+00  1.0716590000e+00  2.0988200000e-01  1.1080110000e+00 -5.7213600000e-01  6.2563600000e-01  1.1589160000e+00 -1.4328270000e+00  1.1310400000e-01  1.7006100000e-01 -4.0746300000e-01
+ENERGY -1.526539977243e+02
+FORCES  4.0355000000e-03  2.2401200000e-02 -8.0975000000e-03 -4.3745000000e-03  1.5662000000e-03 -1.9550000000e-03  5.0566000000e-03 -1.7703000000e-03 -1.1223000000e-03 -5.0795000000e-03 -2.2109500000e-02  1.2440400000e-02 -8.6240000000e-04 -4.5668000000e-03  3.5994000000e-03  1.2244000000e-03  4.4793000000e-03 -4.8649000000e-03
+
+JOB 1
+COORDS  1.6450700000e-01  1.6624800000e-01  1.2397290000e+00 -2.4029600000e-01  6.2173100000e-01  1.9779030000e+00  5.2823200000e-01 -6.3282900000e-01  1.6210580000e+00 -2.2200600000e-01 -1.6824900000e-01 -1.3295140000e+00  1.4116000000e-02 -8.3332000000e-02 -4.0578900000e-01  5.6319300000e-01  1.0478400000e-01 -1.8040100000e+00
+ENERGY -1.526582570512e+02
+FORCES -4.7018000000e-03  2.7960000000e-04 -8.0316000000e-03  3.4074000000e-03 -3.8187000000e-03 -1.5584000000e-03 -2.1821000000e-03  4.6062000000e-03 -2.7285000000e-03  2.6439000000e-03  4.4778000000e-03  1.6029600000e-02  2.3505000000e-03 -4.8024000000e-03 -6.6944000000e-03 -1.5179000000e-03 -7.4250000000e-04  2.9833000000e-03
+
+JOB 2
+COORDS  3.5758100000e-01  9.3723600000e-01 -9.3002900000e-01  8.9640000000e-03  4.8079000000e-01 -1.6957670000e+00  1.5640000000e-01  3.5933500000e-01 -1.9396600000e-01 -2.9598400000e-01 -8.2185900000e-01  9.0082300000e-01  1.6118200000e-01 -1.6252050000e+00  1.1495530000e+00 -1.2065010000e+00 -9.7610400000e-01  1.1526180000e+00
+ENERGY -1.526585821339e+02
+FORCES -5.1548000000e-03 -1.4170000000e-02  1.1246600000e-02  4.9480000000e-04  8.4080000000e-04  1.9328000000e-03  1.3341000000e-03  5.4298000000e-03 -3.9931000000e-03  2.4657000000e-03  5.6943000000e-03 -7.2252000000e-03 -4.2643000000e-03  3.1757000000e-03 -7.2910000000e-04  5.1245000000e-03 -9.7060000000e-04 -1.2321000000e-03
+
+JOB 3
+COORDS  8.8654400000e-01  7.5579000000e-01  7.0664800000e-01  3.3254300000e-01  1.9447700000e-01  1.6420700000e-01  1.6628540000e+00  2.2536500000e-01  8.8615900000e-01 -8.9097700000e-01 -6.7398000000e-01 -6.1518900000e-01 -6.2926600000e-01 -1.4804130000e+00 -1.0594910000e+00 -1.2485320000e+00 -1.2199000000e-01 -1.3106700000e+00
+ENERGY -1.526586130021e+02
+FORCES -1.1669000000e-02 -1.1792900000e-02 -8.3740000000e-03  7.3923000000e-03  6.3672000000e-03  3.0013000000e-03 -3.0470000000e-03 -6.1400000000e-05 -1.6246000000e-03  4.8077000000e-03  3.9888000000e-03  1.0093000000e-03 -6.6160000000e-04  5.0836000000e-03  2.1795000000e-03  3.1776000000e-03 -3.5853000000e-03  3.8084000000e-03
+
+JOB 4
+COORDS -1.2168300000e-01 -7.5597700000e-01 -1.0823440000e+00  7.3186000000e-01 -1.1800300000e+00 -9.9359700000e-01  1.8300000000e-03 -1.1149400000e-01 -1.7792070000e+00  1.1198200000e-01  7.2716200000e-01  1.1702020000e+00 -5.6596100000e-01  1.4029020000e+00  1.1697730000e+00 -2.6593000000e-02  2.4766900000e-01  3.5343000000e-01
+ENERGY -1.526595771286e+02
+FORCES  4.3125000000e-03  1.7484000000e-03  1.0247000000e-03 -5.0959000000e-03  4.2757000000e-03  4.5480000000e-04 -6.1330000000e-04 -2.3093000000e-03  5.8286000000e-03 -4.8510000000e-03 -8.6115000000e-03 -1.3215500000e-02  1.8605000000e-03 -2.1738000000e-03 -1.7709000000e-03  4.3872000000e-03  7.0705000000e-03  7.6784000000e-03
+
+JOB 5
+COORDS  2.3900600000e-01  5.2776200000e-01 -1.1574390000e+00  8.9377000000e-02 -2.3553000000e-02 -1.9254850000e+00  1.0321750000e+00  1.0209590000e+00 -1.3668960000e+00 -3.3214500000e-01 -5.3660000000e-01  1.2457960000e+00  5.1222700000e-01 -4.9005300000e-01  1.6942390000e+00 -1.3044400000e-01 -3.3263600000e-01  3.3258900000e-01
+ENERGY -1.526586887633e+02
+FORCES  1.5481000000e-03 -7.5190000000e-04  4.0418000000e-03  1.4046000000e-03  2.4782000000e-03  5.1616000000e-03 -3.9707000000e-03 -3.0683000000e-03 -1.4340000000e-04  5.9652000000e-03  7.2404000000e-03 -1.3317800000e-02 -1.8921000000e-03  3.6200000000e-04 -1.5657000000e-03 -3.0552000000e-03 -6.2604000000e-03  5.8235000000e-03
+
+JOB 6
+COORDS  1.0104650000e+00  8.0753100000e-01 -2.8236400000e-01  1.2676400000e+00  5.3812100000e-01 -1.1641300000e+00  7.2878600000e-01  1.7169220000e+00 -3.8185100000e-01 -1.0737640000e+00 -8.1617700000e-01  3.3962700000e-01 -7.8145300000e-01 -1.7187260000e+00  4.6687400000e-01 -2.6858600000e-01 -3.2307000000e-01  1.8225700000e-01
+ENERGY -1.526606403713e+02
+FORCES -5.1684000000e-03  6.1490000000e-04 -2.2040000000e-03 -2.2205000000e-03  8.5880000000e-04  5.0467000000e-03  2.0642000000e-03 -4.8703000000e-03 -5.4340000000e-04  1.2499100000e-02  7.9261000000e-03 -1.6379000000e-03  7.9620000000e-04  3.2892000000e-03 -1.3875000000e-03 -7.9707000000e-03 -7.8187000000e-03  7.2600000000e-04
+
+JOB 7
+COORDS -4.2984800000e-01  5.8002800000e-01 -1.2347640000e+00 -2.5204700000e-01  1.3522240000e+00 -6.9779900000e-01 -3.2854500000e-01 -1.5840400000e-01 -6.3419100000e-01  3.5236000000e-01 -5.8045900000e-01  1.1580460000e+00  9.1880800000e-01  1.6700600000e-01  1.3495270000e+00  9.4746100000e-01 -1.3292650000e+00  1.1209480000e+00
+ENERGY -1.526573867259e+02
+FORCES  2.8358000000e-03 -4.5784000000e-03  1.4352300000e-02  7.0420000000e-04 -8.2320000000e-04 -1.5764000000e-03 -1.1808000000e-03  1.1075000000e-03 -7.9853000000e-03  4.3725000000e-03  3.1423000000e-03 -1.9040000000e-03 -3.4057000000e-03 -3.0325000000e-03 -1.7631000000e-03 -3.3259000000e-03  4.1844000000e-03 -1.1235000000e-03
+
+JOB 8
+COORDS  4.2864300000e-01  9.6866700000e-01  8.9363400000e-01  4.6710000000e-03  1.2207500000e-01  7.5306600000e-01 -9.1115000000e-02  1.3862670000e+00  1.5804340000e+00 -3.6791800000e-01 -9.4942700000e-01 -8.5554700000e-01  2.2864200000e-01 -1.2169180000e+00 -1.5546870000e+00 -1.1032560000e+00 -5.3967700000e-01 -1.3111950000e+00
+ENERGY -1.526581248057e+02
+FORCES -3.0093000000e-03 -8.4299000000e-03 -5.0047000000e-03  3.3900000000e-04  6.2231000000e-03  6.8547000000e-03  1.8190000000e-04 -2.7026000000e-03 -3.8244000000e-03  3.3477000000e-03  6.5266000000e-03 -2.0911000000e-03 -3.7148000000e-03  8.5320000000e-04  1.8763000000e-03  2.8555000000e-03 -2.4704000000e-03  2.1891000000e-03
+
+JOB 9
+COORDS  7.7236200000e-01  4.4842000000e-02  1.0515620000e+00  6.8161000000e-01 -2.7168800000e-01  1.9503420000e+00  1.7174980000e+00  8.4202000000e-02  9.0527100000e-01 -8.5331800000e-01 -8.0044000000e-02 -1.1237150000e+00 -1.8519600000e-01 -8.6389000000e-02 -4.3829200000e-01 -9.7878800000e-01  8.4665200000e-01 -1.3279770000e+00
+ENERGY -1.526601685631e+02
+FORCES -3.2438000000e-03 -2.2955000000e-03 -9.3750000000e-04  2.7417000000e-03  2.1357000000e-03 -3.8006000000e-03 -5.2997000000e-03 -3.2800000000e-04  7.4840000000e-04  7.3714000000e-03  2.8343000000e-03  1.1873000000e-02 -2.4622000000e-03  5.6000000000e-05 -8.5797000000e-03  8.9260000000e-04 -2.4025000000e-03  6.9630000000e-04
+
+JOB 10
+COORDS  4.9151900000e-01 -1.1661130000e+00 -5.0804100000e-01  5.6110500000e-01 -1.0552620000e+00 -1.4562510000e+00  1.3051060000e+00 -7.9827800000e-01 -1.6307000000e-01 -6.0500100000e-01  1.1688430000e+00  5.4299300000e-01 -3.1897500000e-01  4.4444900000e-01 -1.3491000000e-02  1.7799700000e-01  1.4179100000e+00  1.0340230000e+00
+ENERGY -1.526564867947e+02
+FORCES  3.7119000000e-03  7.1690000000e-04 -5.1170000000e-04 -1.3825000000e-03  1.7373000000e-03  6.3498000000e-03 -6.8251000000e-03  1.6471000000e-03 -1.3230000000e-03  5.6090000000e-03 -1.2226800000e-02 -3.5793000000e-03  2.2280000000e-04  1.0020600000e-02  1.3739000000e-03 -1.3361000000e-03 -1.8950000000e-03 -2.3098000000e-03
+
+JOB 11
+COORDS -1.1287210000e+00  2.8052700000e-01  6.4652800000e-01 -1.3308110000e+00 -6.9334000000e-02 -2.2122100000e-01 -1.9716240000e+00  5.8082000000e-01  9.8648500000e-01  1.2220480000e+00 -3.3080000000e-01 -6.3602800000e-01  1.3339510000e+00  5.4665300000e-01 -1.0017950000e+00  6.2075700000e-01 -2.0959600000e-01  9.8812000000e-02
+ENERGY -1.526591882715e+02
+FORCES -1.3200000000e-04 -1.0192000000e-03 -2.0675000000e-03  2.3657000000e-03  2.3929000000e-03  5.8386000000e-03  2.8867000000e-03 -1.4539000000e-03 -3.7749000000e-03 -5.0066000000e-03  6.5694000000e-03  6.9671000000e-03 -7.4910000000e-04 -3.1456000000e-03  5.4500000000e-05  6.3540000000e-04 -3.3436000000e-03 -7.0180000000e-03
+
+JOB 12
+COORDS -1.0803910000e+00 -7.1365100000e-01  5.2089400000e-01 -5.6166400000e-01 -2.8584700000e-01 -1.6038300000e-01 -1.3121810000e+00 -1.5640360000e+00  1.4759800000e-01  1.0332370000e+00  7.3876000000e-01 -3.9560500000e-01  1.0217510000e+00  1.4287450000e+00 -1.0589460000e+00  1.5661180000e+00  4.3591000000e-02 -7.8162300000e-01
+ENERGY -1.526571118186e+02
+FORCES  7.9886000000e-03  6.4041000000e-03 -4.7183000000e-03 -7.0447000000e-03 -7.5134000000e-03  1.9540000000e-04  3.0271000000e-03  3.5316000000e-03  6.2900000000e-05  2.5007000000e-03 -6.9130000000e-04  5.2000000000e-05 -9.6470000000e-04 -4.7123000000e-03  3.2865000000e-03 -5.5070000000e-03  2.9814000000e-03  1.1215000000e-03
+
+JOB 13
+COORDS  5.2682600000e-01  1.0380390000e+00 -8.2871500000e-01  1.9013900000e-01  1.6922440000e+00 -2.1643200000e-01  1.9707000000e-01  2.0404600000e-01 -4.9412700000e-01 -5.1488400000e-01 -9.6491800000e-01  7.9472900000e-01  1.8047100000e-01 -1.4536190000e+00  1.2350520000e+00 -7.9981300000e-01 -1.5400810000e+00  8.4634000000e-02
+ENERGY -1.526584391264e+02
+FORCES -6.8781000000e-03 -7.4893000000e-03  1.2084300000e-02  1.6436000000e-03 -3.6480000000e-04 -2.3443000000e-03  2.2139000000e-03  9.4260000000e-04 -8.8893000000e-03  2.5474000000e-03 -1.8049000000e-03  3.2430000000e-04 -3.8268000000e-03  2.4950000000e-03 -3.0877000000e-03  4.2999000000e-03  6.2214000000e-03  1.9126000000e-03
+
+JOB 14
+COORDS  1.1097020000e+00  4.6331600000e-01  5.9173100000e-01  1.6291980000e+00  5.0552700000e-01 -2.1112300000e-01  1.2151350000e+00  1.3266400000e+00  9.9146600000e-01 -1.1702180000e+00 -5.7185200000e-01 -5.3430700000e-01 -3.3818300000e-01 -1.1631600000e-01 -4.0609800000e-01 -1.6023780000e+00 -8.8589000000e-02 -1.2385270000e+00
+ENERGY -1.526569485137e+02
+FORCES -5.6590000000e-04  2.7620000000e-03  1.2071000000e-03 -7.6984000000e-03 -4.9820000000e-04  2.6271000000e-03  4.6920000000e-04 -4.3596000000e-03 -2.6845000000e-03  8.5792000000e-03  6.0356000000e-03  5.2840000000e-03 -3.9350000000e-03 -3.5337000000e-03 -9.1905000000e-03  3.1509000000e-03 -4.0620000000e-04  2.7567000000e-03
+
+JOB 15
+COORDS  3.2116500000e-01 -1.0290550000e+00 -9.0544500000e-01  5.1169300000e-01 -8.2412200000e-01 -1.8208320000e+00  6.3635000000e-02 -1.9133900000e-01 -5.2055300000e-01 -2.5980600000e-01  9.4747800000e-01  8.9251900000e-01 -1.0576530000e+00  1.4122230000e+00  6.4016300000e-01 -3.6407800000e-01  7.8308300000e-01  1.8297140000e+00
+ENERGY -1.526591266719e+02
+FORCES -1.0314000000e-03  8.8589000000e-03  7.3327000000e-03 -1.4700000000e-03  1.3703000000e-03  3.7436000000e-03 -4.9620000000e-04 -4.4511000000e-03 -9.5105000000e-03 -7.3220000000e-04 -4.9327000000e-03  2.7438000000e-03  4.4682000000e-03 -3.6822000000e-03 -2.9310000000e-04 -7.3830000000e-04  2.8367000000e-03 -4.0164000000e-03
+
+JOB 16
+COORDS -8.2877500000e-01  9.4143700000e-01 -6.6768500000e-01 -1.6367980000e+00  4.6844400000e-01 -8.6670500000e-01 -2.6012100000e-01  2.8578700000e-01 -2.6396800000e-01  8.1698900000e-01 -8.3702600000e-01  6.1635200000e-01  1.2805370000e+00 -1.6552920000e+00  4.3804000000e-01  8.5340300000e-01 -7.4309200000e-01  1.5682360000e+00
+ENERGY -1.526609237598e+02
+FORCES  6.1794000000e-03 -1.0186800000e-02  4.9384000000e-03  2.5419000000e-03  7.2410000000e-04  7.8040000000e-04 -5.7362000000e-03  6.4806000000e-03 -2.7285000000e-03 -1.3108000000e-03  1.3203000000e-03 -9.6010000000e-04 -2.0115000000e-03  3.4554000000e-03  2.8159000000e-03  3.3720000000e-04 -1.7936000000e-03 -4.8462000000e-03
+
+JOB 17
+COORDS -1.1622130000e+00 -7.1497400000e-01  3.6503900000e-01 -5.8386000000e-01 -4.7697000000e-02 -4.3940000000e-03 -1.8932690000e+00 -2.2047900000e-01  7.3553100000e-01  1.1543570000e+00  5.9209200000e-01 -4.0078400000e-01  1.6785970000e+00  6.5879900000e-01  3.9731000000e-01  9.0054600000e-01  1.4938710000e+00 -5.9726800000e-01
+ENERGY -1.526581747670e+02
+FORCES  8.9996000000e-03  5.9609000000e-03 -3.5699000000e-03 -1.0655000000e-02 -8.3620000000e-04  2.6641000000e-03  4.1185000000e-03  6.4400000000e-05 -1.6589000000e-03  2.3992000000e-03  6.7200000000e-05  4.5623000000e-03 -2.6653000000e-03  9.8650000000e-04 -4.5634000000e-03 -2.1970000000e-03 -6.2428000000e-03  2.5658000000e-03
+
+JOB 18
+COORDS -6.2359300000e-01 -4.6481200000e-01  1.1709580000e+00 -3.0735400000e-01 -4.4607700000e-01  2.6770100000e-01 -9.6320600000e-01 -1.3520570000e+00  1.2879730000e+00  5.7461100000e-01  4.7127300000e-01 -1.1233890000e+00  5.9440700000e-01  1.3501300000e+00 -1.5021380000e+00  1.4668290000e+00  3.2530600000e-01 -8.0894900000e-01
+ENERGY -1.526597536460e+02
+FORCES  1.9501000000e-03  2.7262000000e-03 -9.3982000000e-03 -3.7710000000e-04 -6.1614000000e-03  8.1656000000e-03  1.9884000000e-03  3.0050000000e-03 -2.1875000000e-03 -2.0440000000e-04  4.3982000000e-03  3.6510000000e-03  1.9816000000e-03 -3.9079000000e-03  1.0344000000e-03 -5.3387000000e-03 -6.0200000000e-05 -1.2653000000e-03
+
+JOB 19
+COORDS  1.1574800000e-01 -1.1565360000e+00  8.1728000000e-01 -1.5389800000e-01 -6.6092300000e-01  4.4046000000e-02 -7.0541200000e-01 -1.4001860000e+00  1.2445540000e+00 -1.3158000000e-02  1.0946780000e+00 -7.6297500000e-01 -4.1587800000e-01  1.9030350000e+00 -4.4578800000e-01 -2.3935900000e-01  1.0625440000e+00 -1.6925090000e+00
+ENERGY -1.526577997640e+02
+FORCES -2.7004000000e-03  9.4017000000e-03 -6.1356000000e-03 -7.2620000000e-04 -9.1856000000e-03  2.1937000000e-03  2.3066000000e-03  1.9903000000e-03 -1.7799000000e-03 -8.0690000000e-04  2.9163000000e-03  2.8865000000e-03  1.6226000000e-03 -3.4948000000e-03 -2.9371000000e-03  3.0420000000e-04 -1.6279000000e-03  5.7724000000e-03
+
+JOB 20
+COORDS -4.4973900000e-01 -8.4034500000e-01 -1.0582310000e+00  1.0676100000e-01 -9.3503700000e-01 -1.8312600000e+00 -7.6023000000e-02 -9.8282000000e-02 -5.8293000000e-01  3.5075300000e-01  7.7404800000e-01  1.0366710000e+00  3.7714600000e-01  1.6680210000e+00  1.3777690000e+00  1.1414840000e+00  3.6125200000e-01  1.3839110000e+00
+ENERGY -1.526600902760e+02
+FORCES  3.0767000000e-03  7.4744000000e-03  5.9505000000e-03 -7.6440000000e-04  1.1776000000e-03  3.6112000000e-03 -5.5400000000e-04 -6.6042000000e-03 -7.7204000000e-03  9.6970000000e-04 -5.2700000000e-04  1.5070000000e-03  7.7130000000e-04 -4.7250000000e-03 -9.0100000000e-04 -3.4994000000e-03  3.2042000000e-03 -2.4472000000e-03
+
+JOB 21
+COORDS -6.3889700000e-01  4.1488700000e-01  1.1133100000e+00 -1.5357580000e+00  4.3354900000e-01  1.4472620000e+00 -3.7742900000e-01  1.3349360000e+00  1.0762240000e+00  7.4048100000e-01 -4.9314800000e-01 -1.1165140000e+00  2.5547600000e-01 -5.7382600000e-01 -1.9377890000e+00  1.3852800000e-01 -4.0452000000e-02 -5.2579400000e-01
+ENERGY -1.526589610102e+02
+FORCES -1.7194000000e-03  6.0900000000e-04  1.2002000000e-03  4.6653000000e-03  9.1950000000e-04 -1.2876000000e-03 -1.7310000000e-03 -6.0577000000e-03 -2.6877000000e-03 -7.9732000000e-03  1.9552000000e-03  7.5674000000e-03  5.3830000000e-04  6.7580000000e-04  3.4053000000e-03  6.2199000000e-03  1.8983000000e-03 -8.1976000000e-03
+
+JOB 22
+COORDS  2.3306000000e-01 -1.2883100000e+00 -5.8221400000e-01  4.9710500000e-01 -4.0313300000e-01 -3.3126900000e-01 -3.3551000000e-02 -1.2086510000e+00 -1.4980760000e+00 -2.2084900000e-01  1.1856180000e+00  5.7980100000e-01  1.7848100000e-01  2.0500930000e+00  4.8258600000e-01 -7.9087000000e-01  1.2691630000e+00  1.3442140000e+00
+ENERGY -1.526585868452e+02
+FORCES -2.8325000000e-03  1.1071300000e-02  2.2621000000e-03  3.7263000000e-03 -6.1603000000e-03 -4.4742000000e-03  9.6280000000e-04  8.4300000000e-05  2.7366000000e-03 -3.0027000000e-03 -2.0432000000e-03  3.0852000000e-03 -1.7112000000e-03 -4.9129000000e-03 -1.4210000000e-04  2.8573000000e-03  1.9607000000e-03 -3.4676000000e-03
+
+JOB 23
+COORDS -1.2282490000e+00  5.8186300000e-01  1.8261100000e-01 -1.8755710000e+00  4.9129900000e-01 -5.1667800000e-01 -8.8030000000e-01  1.4669910000e+00  7.4387000000e-02  1.3004490000e+00 -6.3436800000e-01 -9.5147000000e-02  1.2338040000e+00 -8.5305200000e-01 -1.0246460000e+00  4.3220000000e-01 -3.0479500000e-01  1.3670700000e-01
+ENERGY -1.526602261090e+02
+FORCES -4.4700000000e-05  1.8996000000e-03 -3.7535000000e-03  3.6811000000e-03  1.2673000000e-03  2.9868000000e-03 -1.0404000000e-03 -6.0053000000e-03 -1.5650000000e-04 -1.2758200000e-02  3.0165000000e-03 -1.1702000000e-03  1.9360000000e-04  9.0370000000e-04  2.3232000000e-03  9.9686000000e-03 -1.0820000000e-03 -2.2980000000e-04
+
+JOB 24
+COORDS  1.1046040000e+00  8.9621000000e-01  2.0668600000e-01  5.5476200000e-01  1.7477300000e-01 -9.8984000000e-02  1.7835230000e+00  4.7413300000e-01  7.3313700000e-01 -1.0593380000e+00 -8.4867500000e-01 -1.7610400000e-01 -1.8581420000e+00 -3.7679100000e-01  5.9414000000e-02 -1.1160660000e+00 -9.5772400000e-01 -1.1253790000e+00
+ENERGY -1.526601028493e+02
+FORCES -7.6470000000e-03 -9.3398000000e-03  6.6540000000e-04  8.5403000000e-03  5.4458000000e-03 -2.6313000000e-03 -2.5449000000e-03  7.1670000000e-04 -1.7237000000e-03 -3.9155000000e-03  4.3295000000e-03  6.0620000000e-04  3.0868000000e-03 -3.4190000000e-03 -2.2550000000e-03  2.4804000000e-03  2.2667000000e-03  5.3384000000e-03
+
+JOB 25
+COORDS  1.6285000000e-01  9.8899000000e-01 -8.9164400000e-01 -1.2673100000e-01  1.8769460000e+00 -6.8209700000e-01  5.3596100000e-01  1.0593250000e+00 -1.7703210000e+00 -1.1509400000e-01 -1.0756370000e+00  9.5350000000e-01 -1.0293270000e+00 -1.3590550000e+00  9.6266000000e-01 -1.3456800000e-01 -2.1588300000e-01  5.3317300000e-01
+ENERGY -1.526591155262e+02
+FORCES  2.2222000000e-03 -2.2311000000e-03 -2.4481000000e-03  9.9350000000e-04 -5.2872000000e-03 -3.7140000000e-04 -2.3783000000e-03  2.0628000000e-03  3.6317000000e-03 -9.3470000000e-04  7.3193000000e-03 -8.4533000000e-03  2.6470000000e-03  1.4738000000e-03 -3.4370000000e-04 -2.5497000000e-03 -3.3376000000e-03  7.9848000000e-03
+
+JOB 26
+COORDS  3.6089600000e-01  7.7391700000e-01  1.0404970000e+00  3.1249100000e-01  4.8728200000e-01  1.9524890000e+00  1.1620840000e+00  1.2957130000e+00  9.9513500000e-01 -4.3781000000e-01 -7.6419200000e-01 -1.1449110000e+00 -2.2123900000e-01 -1.6755310000e+00 -9.4795800000e-01 -9.6155000000e-02 -2.6990900000e-01 -3.9980100000e-01
+ENERGY -1.526609900201e+02
+FORCES  9.0340000000e-04 -7.8340000000e-04  7.0110000000e-04  1.4413000000e-03  1.7804000000e-03 -4.3482000000e-03 -3.9728000000e-03 -3.1089000000e-03  1.1770000000e-03  4.0545000000e-03  4.7955000000e-03  1.0531000000e-02 -4.6510000000e-04  2.8440000000e-03  3.4560000000e-04 -1.9612000000e-03 -5.5276000000e-03 -8.4065000000e-03
+
+JOB 27
+COORDS -1.1860000000e-01  1.1088990000e+00 -9.5369400000e-01 -8.8376400000e-01  6.6751100000e-01 -1.3223840000e+00  2.8247700000e-01  4.5542400000e-01 -3.8068500000e-01  1.8971200000e-01 -1.0510480000e+00  8.9049900000e-01 -6.3857600000e-01 -1.5299890000e+00  9.1853300000e-01  1.9576700000e-01 -5.3471000000e-01  1.6964710000e+00
+ENERGY -1.526593411509e+02
+FORCES -3.4110000000e-04 -1.2028600000e-02  5.6413000000e-03  1.3057000000e-03  1.7833000000e-03  7.1660000000e-04  4.9360000000e-04  8.5214000000e-03 -3.1081000000e-03 -5.2083000000e-03  1.0051000000e-03  2.1629000000e-03  3.7908000000e-03  2.6064000000e-03 -1.7900000000e-05 -4.0700000000e-05 -1.8876000000e-03 -5.3947000000e-03
+
+JOB 28
+COORDS -5.8185900000e-01  1.2289480000e+00  6.2381000000e-02 -6.5912600000e-01  1.6331770000e+00  9.2659200000e-01 -4.8651300000e-01  1.9667100000e+00 -5.3998800000e-01  5.5575700000e-01 -1.3393520000e+00 -3.7448000000e-02  1.7962600000e-01 -4.9748700000e-01 -2.9439200000e-01  1.4096170000e+00 -1.3625750000e+00 -4.6944000000e-01
+ENERGY -1.526603029617e+02
+FORCES  1.0717000000e-03  8.2100000000e-04  3.9795000000e-03 -1.4360000000e-04  2.2850000000e-04 -4.9592000000e-03  3.1390000000e-04 -3.6411000000e-03  3.1477000000e-03 -2.4332000000e-03  1.0190300000e-02 -8.7730000000e-04  4.0299000000e-03 -8.7216000000e-03 -2.3467000000e-03 -2.8387000000e-03  1.1229000000e-03  1.0560000000e-03
+
+JOB 29
+COORDS -3.3875800000e-01  1.0647220000e+00 -8.3054900000e-01 -6.4226100000e-01  6.2315900000e-01 -1.6237320000e+00 -1.1384190000e+00  1.3853400000e+00 -4.1344200000e-01  3.7845800000e-01 -1.1181590000e+00  8.6398200000e-01 -5.4495000000e-02 -3.5211500000e-01  4.8720600000e-01  1.2722970000e+00 -8.2542800000e-01  1.0417260000e+00
+ENERGY -1.526596675984e+02
+FORCES -2.4539000000e-03 -1.0418000000e-03 -4.1600000000e-03  9.0990000000e-04  2.6064000000e-03  4.7204000000e-03  5.0809000000e-03 -4.6503000000e-03 -3.7140000000e-04  1.0151000000e-03  1.1084300000e-02 -6.9602000000e-03 -2.1575000000e-03 -6.4844000000e-03  6.7752000000e-03 -2.3946000000e-03 -1.5143000000e-03 -4.0000000000e-06
+
+JOB 30
+COORDS  4.7377700000e-01 -1.3634290000e+00 -2.0735400000e-01  2.4077500000e-01 -4.6296400000e-01  1.8709000000e-02  1.0025730000e+00 -1.2824330000e+00 -1.0011090000e+00 -4.5678600000e-01  1.2532440000e+00  2.1033700000e-01 -5.7746200000e-01  2.1291140000e+00 -1.5643600000e-01 -8.8790800000e-01  1.2891300000e+00  1.0641980000e+00
+ENERGY -1.526601649998e+02
+FORCES -1.9302000000e-03  1.1711400000e-02 -1.8770000000e-03  1.7872000000e-03 -8.1175000000e-03  2.4694000000e-03 -1.3832000000e-03 -3.4190000000e-04  1.9604000000e-03 -5.7950000000e-04  1.5680000000e-04 -8.9750000000e-04 -4.4760000000e-04 -3.2764000000e-03  3.0051000000e-03  2.5534000000e-03 -1.3250000000e-04 -4.6604000000e-03
+
+JOB 31
+COORDS  5.2773800000e-01 -1.2310160000e+00 -2.7798700000e-01  8.3698000000e-02 -1.9173640000e+00 -7.7597000000e-01  1.0727750000e+00 -1.7047790000e+00  3.5027600000e-01 -5.6554500000e-01  1.3046580000e+00  3.3259700000e-01 -7.0717800000e-01  1.7008820000e+00 -5.2715800000e-01  8.5667000000e-02  6.2054200000e-01  1.7722500000e-01
+ENERGY -1.526594949620e+02
+FORCES -3.9358000000e-03 -1.9211000000e-03  3.2220000000e-04  3.3045000000e-03  1.7554000000e-03  2.3927000000e-03 -2.9189000000e-03  2.4209000000e-03 -2.9997000000e-03  4.1766000000e-03 -9.0620000000e-03 -5.3488000000e-03  2.7800000000e-05 -1.4384000000e-03  2.3879000000e-03 -6.5420000000e-04  8.2453000000e-03  3.2457000000e-03
+
+JOB 32
+COORDS  1.2475510000e+00  2.3601300000e-01 -7.3247000000e-01  8.8609300000e-01  3.7963300000e-01 -1.6070860000e+00  4.9989700000e-01 -5.0412000000e-02 -2.0786900000e-01 -1.1374560000e+00 -2.6238000000e-01  7.1680000000e-01 -2.0084770000e+00 -5.4613600000e-01  9.9435400000e-01 -1.0636190000e+00  6.3586500000e-01  1.0391890000e+00
+ENERGY -1.526598180993e+02
+FORCES -9.4123000000e-03 -4.2692000000e-03  8.8260000000e-04  1.3390000000e-03  4.7100000000e-05  2.4894000000e-03  5.8539000000e-03  6.2835000000e-03 -6.8270000000e-04 -1.7524000000e-03  3.0970000000e-04  7.9930000000e-04  3.3344000000e-03  3.1668000000e-03 -5.0880000000e-04  6.3740000000e-04 -5.5379000000e-03 -2.9798000000e-03
+
+JOB 33
+COORDS -1.2497390000e+00  4.1338400000e-01  3.9463700000e-01 -1.4997770000e+00  6.2874500000e-01 -5.0388000000e-01 -2.0446700000e+00  5.6122600000e-01  9.0694500000e-01  1.3706760000e+00 -4.4821900000e-01 -3.6036600000e-01  9.0240500000e-01 -6.8076500000e-01 -1.1621610000e+00  7.3115500000e-01  4.0220000000e-02  1.5797100000e-01
+ENERGY -1.526582665998e+02
+FORCES -2.7843000000e-03  4.0150000000e-04 -6.1550000000e-04  2.2075000000e-03 -1.7205000000e-03  4.1317000000e-03  2.9169000000e-03 -6.1720000000e-04 -3.5364000000e-03 -1.0451400000e-02  1.3439000000e-03  2.4376000000e-03  1.4305000000e-03  1.3821000000e-03  1.2736000000e-03  6.6807000000e-03 -7.8980000000e-04 -3.6911000000e-03
+
+JOB 34
+COORDS -1.1372060000e+00 -7.8012500000e-01 -1.3625000000e-02 -1.4534080000e+00 -1.6826860000e+00 -5.4029000000e-02 -1.6580440000e+00 -3.7415900000e-01  6.7930400000e-01  1.2168970000e+00  8.0482700000e-01 -7.8933000000e-02  3.9541600000e-01  3.6037700000e-01  1.3050700000e-01  1.4424850000e+00  1.2812350000e+00  7.2005200000e-01
+ENERGY -1.526585768597e+02
+FORCES -8.3290000000e-04 -3.8803000000e-03  6.3800000000e-05 -4.6030000000e-04  4.6517000000e-03  8.3030000000e-04  5.3295000000e-03 -1.1435000000e-03 -2.9352000000e-03 -6.7243000000e-03 -5.5831000000e-03  1.2272000000e-03  5.0621000000e-03  8.1611000000e-03  2.9760000000e-03 -2.3742000000e-03 -2.2059000000e-03 -2.1622000000e-03
+
+JOB 35
+COORDS  1.1112370000e+00 -8.5814300000e-01  5.3644500000e-01  2.8676200000e-01 -5.4517300000e-01  1.6425900000e-01  1.2665600000e+00 -2.8771200000e-01  1.2892500000e+00 -1.0495030000e+00  7.4044400000e-01 -5.6206300000e-01 -1.9701580000e+00  1.0020130000e+00 -5.7650200000e-01 -5.6647000000e-01  1.5652170000e+00 -5.1049000000e-01
+ENERGY -1.526603905869e+02
+FORCES -8.1823000000e-03  5.0374000000e-03 -8.1790000000e-04  7.9779000000e-03 -3.2795000000e-03  2.8954000000e-03 -3.7100000000e-05 -1.0221000000e-03 -2.6408000000e-03 -1.6268000000e-03  3.2147000000e-03 -2.5750000000e-04  4.6664000000e-03  3.2280000000e-04 -1.0190000000e-04 -2.7982000000e-03 -4.2733000000e-03  9.2270000000e-04
+
+JOB 36
+COORDS  1.9890000000e-03  7.4936600000e-01  1.2081640000e+00  6.8245800000e-01  1.1693090000e+00  1.7343220000e+00 -4.7764100000e-01  1.4765660000e+00  8.1146800000e-01 -6.3137000000e-02 -8.6073400000e-01 -1.2262210000e+00  6.3302300000e-01 -6.1008500000e-01 -1.8334840000e+00  7.3777000000e-02 -3.0270400000e-01 -4.6065700000e-01
+ENERGY -1.526605602315e+02
+FORCES  7.9350000000e-04  4.0883000000e-03  2.7397000000e-03 -3.8310000000e-03 -1.0424000000e-03 -2.6749000000e-03  3.9991000000e-03 -4.7256000000e-03  5.5010000000e-04  3.5397000000e-03  4.4940000000e-03  7.0696000000e-03 -2.1656000000e-03 -1.0770000000e-04  2.4366000000e-03 -2.3357000000e-03 -2.7066000000e-03 -1.0121200000e-02
+
+JOB 37
+COORDS -9.5864600000e-01  9.3570900000e-01 -7.0128000000e-01 -1.6537940000e+00  3.0351500000e-01 -8.8384900000e-01 -2.2525200000e-01  4.0355400000e-01 -3.9277400000e-01  8.8958700000e-01 -8.8448400000e-01  6.6916800000e-01  1.1723090000e+00 -7.7087900000e-01  1.5765790000e+00  1.6624910000e+00 -6.6716500000e-01  1.4799200000e-01
+ENERGY -1.526599186604e+02
+FORCES  3.1856000000e-03 -9.0601000000e-03  5.2868000000e-03  1.6769000000e-03  2.3574000000e-03  1.7000000000e-04 -1.6511000000e-03  6.1924000000e-03 -7.1198000000e-03  3.2819000000e-03  7.4180000000e-04  4.4747000000e-03 -2.2130000000e-04 -1.2424000000e-03 -4.6721000000e-03 -6.2721000000e-03  1.0109000000e-03  1.8604000000e-03
+
+JOB 38
+COORDS -1.3721400000e-01  1.0745520000e+00 -1.0494420000e+00 -3.3329600000e-01  5.2557200000e-01 -1.8086550000e+00  2.6204000000e-02  4.5327400000e-01 -3.3983600000e-01  1.3921900000e-01 -9.6078900000e-01  1.0121800000e+00 -5.9018000000e-01 -1.5692590000e+00  1.1303870000e+00  8.2858000000e-01 -1.2985440000e+00  1.5839610000e+00
+ENERGY -1.526613809073e+02
+FORCES  1.2952000000e-03 -8.4398000000e-03  4.9373000000e-03  1.2060000000e-04  1.4963000000e-03  2.2524000000e-03 -1.4622000000e-03  6.5816000000e-03 -6.7781000000e-03 -1.7500000000e-05 -2.0891000000e-03  2.0458000000e-03  4.1834000000e-03  2.0994000000e-03 -3.2600000000e-04 -4.1195000000e-03  3.5150000000e-04 -2.1314000000e-03
+
+JOB 39
+COORDS  4.2922500000e-01 -1.2231950000e+00  6.1197000000e-01  9.1573800000e-01 -1.0216640000e+00  1.4112970000e+00  3.1742300000e-01 -2.1736260000e+00  6.3226000000e-01 -4.1761500000e-01  1.3252450000e+00 -6.8240800000e-01 -1.3614120000e+00  1.2005420000e+00 -5.8276900000e-01 -3.4712000000e-02  4.9438500000e-01 -4.0082600000e-01
+ENERGY -1.526612291586e+02
+FORCES  1.0667000000e-03 -3.1914000000e-03  2.5002000000e-03 -2.4037000000e-03 -1.6232000000e-03 -3.9348000000e-03  8.6910000000e-04  4.0946000000e-03  1.3859000000e-03 -9.2770000000e-04 -8.7629000000e-03  3.3787000000e-03  2.4884000000e-03  9.7590000000e-04 -6.1590000000e-04 -1.0927000000e-03  8.5070000000e-03 -2.7141000000e-03
+
+JOB 40
+COORDS -1.1180770000e+00 -4.5528500000e-01 -9.0882400000e-01 -7.7821500000e-01  1.3976100000e-01 -1.5771400000e+00 -1.6087430000e+00  1.0950300000e-01 -3.1175300000e-01  1.1390070000e+00  4.5191100000e-01  9.5237500000e-01  1.6792470000e+00 -3.1781200000e-01  7.7377300000e-01  3.4017800000e-01  3.0736100000e-01  4.4521800000e-01
+ENERGY -1.526577980812e+02
+FORCES -3.9629000000e-03  3.4025000000e-03 -3.4810000000e-03 -5.3130000000e-04 -3.0292000000e-03  5.3451000000e-03  6.9801000000e-03 -2.5415000000e-03 -1.5363000000e-03 -3.8273000000e-03 -7.6856000000e-03 -5.5934000000e-03 -6.4580000000e-04  3.2411000000e-03  1.0297000000e-03  1.9873000000e-03  6.6128000000e-03  4.2360000000e-03
+
+JOB 41
+COORDS  6.3223700000e-01 -1.1477990000e+00  8.2480100000e-01 -1.1550100000e-01 -1.2721430000e+00  1.4093170000e+00  4.7185300000e-01 -3.0186600000e-01  4.0658300000e-01 -5.2468700000e-01  1.0565090000e+00 -8.3011600000e-01 -4.6850300000e-01  2.0062740000e+00 -7.2512700000e-01 -1.4488100000e+00  8.8982600000e-01 -1.0157100000e+00
+ENERGY -1.526604315155e+02
+FORCES -5.2647000000e-03  7.0067000000e-03 -3.1704000000e-03  2.0210000000e-03  2.9500000000e-05 -1.8203000000e-03  4.1620000000e-03 -6.3431000000e-03  5.7688000000e-03 -4.3259000000e-03  2.2785000000e-03 -1.8856000000e-03 -7.2610000000e-04 -4.7708000000e-03 -2.0010000000e-04  4.1337000000e-03  1.7992000000e-03  1.3075000000e-03
+
+JOB 42
+COORDS  3.1666100000e-01 -5.0267700000e-01  1.3161440000e+00  1.1414500000e+00 -2.1935100000e-01  1.7107080000e+00 -1.4033900000e-01 -9.6319000000e-01  2.0199270000e+00 -3.3554500000e-01  4.9551900000e-01 -1.4436060000e+00 -2.2468600000e-01 -1.0478900000e-01 -7.0633200000e-01 -4.8573100000e-01  1.3491960000e+00 -1.0375130000e+00
+ENERGY -1.526607717291e+02
+FORCES  2.2009000000e-03 -5.2010000000e-04  4.0599000000e-03 -4.3084000000e-03 -1.4101000000e-03 -7.0880000000e-04  2.6665000000e-03  2.4229000000e-03 -2.7537000000e-03  8.4380000000e-04 -7.6610000000e-04  9.6924000000e-03 -1.8635000000e-03  1.8969000000e-03 -7.9504000000e-03  4.6070000000e-04 -1.6235000000e-03 -2.3394000000e-03
+
+JOB 43
+COORDS  5.6887800000e-01 -1.2834750000e+00  3.9989500000e-01  1.0613990000e+00 -2.1017920000e+00  3.3654900000e-01  7.1161800000e-01 -9.8641200000e-01  1.2985670000e+00 -5.7789800000e-01  1.3513460000e+00 -4.9435000000e-01 -1.4312370000e+00  1.4159730000e+00 -6.5551000000e-02 -1.5720400000e-01  5.9832800000e-01 -7.9366000000e-02
+ENERGY -1.526583172715e+02
+FORCES  3.6497000000e-03 -4.5481000000e-03  7.3910000000e-04 -2.2018000000e-03  3.2638000000e-03  1.8746000000e-03 -1.9733000000e-03  7.4880000000e-04 -5.7868000000e-03 -1.2640000000e-04 -7.3529000000e-03  1.6663000000e-03  3.2124000000e-03 -2.4820000000e-04 -8.7800000000e-04 -2.5606000000e-03  8.1365000000e-03  2.3849000000e-03
+
+JOB 44
+COORDS -5.4036400000e-01  1.3079610000e+00  4.1412600000e-01 -4.7981200000e-01  2.2112690000e+00  7.2493100000e-01 -8.0352300000e-01  8.0590900000e-01  1.1854380000e+00  5.0261400000e-01 -1.3709040000e+00 -5.0297900000e-01  4.0017300000e-01 -5.2221600000e-01 -7.2322000000e-02  1.4474300000e+00 -1.5242430000e+00 -5.0945900000e-01
+ENERGY -1.526584515223e+02
+FORCES -2.3369000000e-03  4.3798000000e-03  3.5440000000e-03 -1.1290000000e-03 -4.1940000000e-03 -8.3140000000e-04  4.2707000000e-03  1.0827000000e-03 -5.1621000000e-03  2.1680000000e-03  6.8771000000e-03  3.7760000000e-04  3.2320000000e-04 -8.9097000000e-03  1.8894000000e-03 -3.2960000000e-03  7.6400000000e-04  1.8260000000e-04
+
+JOB 45
+COORDS  8.5890900000e-01 -4.1812800000e-01  1.1372250000e+00  1.0069580000e+00  3.2238800000e-01  1.7254000000e+00  3.2054400000e-01 -1.0246030000e+00  1.6457350000e+00 -8.8576700000e-01  3.6385100000e-01 -1.2115520000e+00 -8.7509000000e-02  2.8673500000e-01 -6.8899100000e-01 -8.3624800000e-01  1.2382840000e+00 -1.5977490000e+00
+ENERGY -1.526603486686e+02
+FORCES -3.1251000000e-03 -1.2678000000e-03  5.9115000000e-03 -9.2130000000e-04 -3.0152000000e-03 -3.3023000000e-03  3.3784000000e-03  3.0265000000e-03 -1.2727000000e-03  5.7432000000e-03  2.6590000000e-04  4.0187000000e-03 -5.5161000000e-03  3.7667000000e-03 -7.6264000000e-03  4.4090000000e-04 -2.7762000000e-03  2.2712000000e-03
+
+JOB 46
+COORDS -2.9476700000e-01  1.5351620000e+00 -1.5878900000e-01 -6.8303800000e-01  1.7869080000e+00  6.7912600000e-01 -3.3973000000e-02  6.2215800000e-01 -3.7789000000e-02  3.5461100000e-01 -1.4966150000e+00  7.4904000000e-02 -5.4812200000e-01 -1.5476830000e+00 -2.3925600000e-01  2.7770900000e-01 -1.5080270000e+00  1.0289420000e+00
+ENERGY -1.526584859987e+02
+FORCES  2.6291000000e-03 -5.8421000000e-03  2.8864000000e-03  1.3214000000e-03 -2.0704000000e-03 -2.7868000000e-03 -5.7758000000e-03  8.1870000000e-03  5.2000000000e-04 -3.3269000000e-03 -5.8623000000e-03  2.1960000000e-03  5.3537000000e-03  3.0659000000e-03  2.5070000000e-03 -2.0140000000e-04  2.5219000000e-03 -5.3225000000e-03
+
+JOB 47
+COORDS  1.2468150000e+00 -6.6639600000e-01 -7.9509000000e-01  1.1555430000e+00  9.9026000000e-02 -2.2761300000e-01  3.4792300000e-01 -9.4961200000e-01 -9.6246100000e-01 -1.1604940000e+00  6.9246800000e-01  7.3255100000e-01 -2.0990190000e+00  5.8781600000e-01  8.8891600000e-01 -7.5208600000e-01 -1.1640000000e-03  1.2505360000e+00
+ENERGY -1.526569910162e+02
+FORCES -6.5108000000e-03  5.1690000000e-03  6.7900000000e-05  2.3764000000e-03 -4.7004000000e-03  1.6380000000e-04  4.1815000000e-03 -1.7265000000e-03  9.1210000000e-04 -3.6497000000e-03 -2.0614000000e-03  3.8669000000e-03  4.3078000000e-03 -2.2450000000e-04 -7.5180000000e-04 -7.0520000000e-04  3.5438000000e-03 -4.2589000000e-03
+
+JOB 48
+COORDS  6.9110600000e-01  2.3208100000e-01  1.4514350000e+00 -3.7160000000e-02 -3.5220400000e-01  1.2405490000e+00  1.4059040000e+00 -6.1888000000e-02  8.8674300000e-01 -6.4132700000e-01 -1.2772700000e-01 -1.4162770000e+00 -9.0339500000e-01 -8.3873500000e-01 -2.0011020000e+00 -1.1722410000e+00 -2.5557800000e-01 -6.3013700000e-01
+ENERGY -1.526528905553e+02
+FORCES  1.1919000000e-03 -3.4706000000e-03 -6.8379000000e-03 -6.6730000000e-04  2.4863000000e-03  1.9870000000e-04 -1.6414000000e-03  8.8630000000e-04  4.4451000000e-03 -4.5795000000e-03 -1.4923000000e-03  1.1360000000e-04  1.8055000000e-03  3.1338000000e-03  3.2140000000e-03  3.8909000000e-03 -1.5434000000e-03 -1.1335000000e-03
+
+JOB 49
+COORDS  8.0730100000e-01 -1.8603400000e-01 -1.3384160000e+00  1.5744860000e+00  2.5292500000e-01 -1.7058030000e+00  1.4952700000e-01  5.0503500000e-01 -1.2610250000e+00 -7.9414000000e-01  1.7595100000e-01  1.4004440000e+00 -9.1729600000e-01  2.5506100000e-01  4.5450300000e-01 -1.0154860000e+00 -7.3455000000e-01  1.5959590000e+00
+ENERGY -1.526515892215e+02
+FORCES  2.7476000000e-03  5.8110000000e-03 -3.8190000000e-04 -3.3288000000e-03 -2.2504000000e-03  1.2497000000e-03 -8.2830000000e-04 -4.5885000000e-03  2.9137000000e-03  1.2591000000e-03 -6.2323000000e-03 -4.1997000000e-03  1.8900000000e-05  3.2400000000e-03  1.9690000000e-04  1.3150000000e-04  4.0202000000e-03  2.2130000000e-04
+
+JOB 50
+COORDS -1.2378330000e+00  1.0211220000e+00 -1.9038600000e-01 -2.0527150000e+00  5.9612500000e-01 -4.5792600000e-01 -6.2336700000e-01  2.9942800000e-01 -5.6891000000e-02  1.2578560000e+00 -9.5224200000e-01  2.6353100000e-01  1.8267720000e+00 -6.6403300000e-01 -4.5026300000e-01  5.3139400000e-01 -1.3969270000e+00 -1.7320700000e-01
+ENERGY -1.526554828821e+02
+FORCES  1.7929000000e-03 -3.9293000000e-03  1.8644000000e-03  4.1526000000e-03  6.2630000000e-04  9.0110000000e-04 -6.7721000000e-03  7.4230000000e-04 -4.3554000000e-03  3.7678000000e-03 -2.4518000000e-03 -4.9903000000e-03 -3.2227000000e-03 -1.7443000000e-03  3.6749000000e-03  2.8150000000e-04  6.7569000000e-03  2.9054000000e-03
+
+JOB 51
+COORDS  1.6003470000e+00 -4.6430000000e-02  2.6499500000e-01  1.6826660000e+00 -1.4519500000e-01  1.2135200000e+00  8.0434700000e-01 -5.2886000000e-01  4.1662000000e-02 -1.5629180000e+00  1.3912500000e-01 -2.6871700000e-01 -1.9098400000e+00 -3.2556000000e-02 -1.1441610000e+00 -1.1979770000e+00 -6.9955500000e-01  1.3534000000e-02
+ENERGY -1.526507939639e+02
+FORCES -4.9759000000e-03  5.1160000000e-04  2.4708000000e-03 -5.2700000000e-04 -9.2700000000e-05 -4.0895000000e-03  1.4223000000e-03 -2.5596000000e-03  1.6543000000e-03 -1.5827000000e-03 -2.9961000000e-03 -3.1090000000e-03  1.8228000000e-03  7.5660000000e-04  4.3406000000e-03  3.8405000000e-03  4.3803000000e-03 -1.2672000000e-03
+
+JOB 52
+COORDS -2.7372300000e-01  1.1272150000e+00 -1.1560830000e+00  2.7615500000e-01  4.6290300000e-01 -7.4068500000e-01 -9.5828700000e-01  6.2791300000e-01 -1.6013940000e+00  3.1549100000e-01 -1.0209540000e+00  1.1284890000e+00 -1.1655800000e-01 -1.7949120000e+00  7.6716500000e-01  9.5267000000e-02 -1.0360370000e+00  2.0598890000e+00
+ENERGY -1.526576173637e+02
+FORCES  2.2930000000e-04 -6.1397000000e-03  3.7820000000e-03 -1.8521000000e-03  3.8319000000e-03 -6.6497000000e-03  2.2291000000e-03  1.4977000000e-03  1.3259000000e-03 -3.2481000000e-03 -2.1434000000e-03  4.9898000000e-03  1.7875000000e-03  4.1732000000e-03  4.7780000000e-04  8.5430000000e-04 -1.2198000000e-03 -3.9259000000e-03
+
+JOB 53
+COORDS -1.5020600000e-01  1.3567170000e+00 -9.0410100000e-01 -7.0357000000e-02  6.1634100000e-01 -3.0268700000e-01  6.0401500000e-01  1.9110310000e+00 -7.0380500000e-01  8.6406000000e-02 -1.2849670000e+00  8.3107900000e-01 -4.9414200000e-01 -1.9313690000e+00  1.2327760000e+00  9.5401400000e-01 -1.6879000000e+00  8.6472500000e-01
+ENERGY -1.526605332779e+02
+FORCES  2.2638000000e-03 -3.9723000000e-03  4.9908000000e-03  4.4650000000e-04  8.1170000000e-03 -5.2221000000e-03 -2.2003000000e-03 -2.1373000000e-03 -7.0340000000e-04 -1.3710000000e-04 -5.8108000000e-03  2.0911000000e-03  3.5891000000e-03  1.9249000000e-03 -1.3679000000e-03 -3.9619000000e-03  1.8785000000e-03  2.1130000000e-04
+
+JOB 54
+COORDS -9.6596500000e-01  1.0574560000e+00  5.6884700000e-01 -1.2809280000e+00  1.7846240000e+00  3.1951000000e-02 -1.7378220000e+00  7.6519500000e-01  1.0536690000e+00  1.0667200000e+00 -1.0528170000e+00 -6.1636700000e-01  2.3280700000e-01 -7.8279500000e-01 -2.3177900000e-01  1.3094820000e+00 -1.8424560000e+00 -1.3286900000e-01
+ENERGY -1.526586306094e+02
+FORCES -4.2424000000e-03  5.3285000000e-03 -4.7330000000e-04  6.1310000000e-04 -3.1771000000e-03  3.1678000000e-03  4.0448000000e-03  2.2260000000e-04 -2.7061000000e-03 -3.8672000000e-03  1.6994000000e-03  4.4530000000e-03  4.8254000000e-03 -6.9787000000e-03 -3.0470000000e-03 -1.3737000000e-03  2.9053000000e-03 -1.3946000000e-03
+
+JOB 55
+COORDS -1.2667320000e+00 -1.0024410000e+00  1.2229500000e-01 -9.1609500000e-01 -1.1405900000e-01  5.8556000000e-02 -2.0398480000e+00 -9.1586300000e-01  6.7999300000e-01  1.2299350000e+00  9.2166700000e-01 -1.8000500000e-01  1.5614270000e+00  1.8177770000e+00 -2.3772300000e-01  1.8405150000e+00  4.7733800000e-01  4.0820900000e-01
+ENERGY -1.526593063440e+02
+FORCES  8.2120000000e-04  5.4554000000e-03  5.5720000000e-04 -6.3581000000e-03 -5.7903000000e-03  1.5563000000e-03  3.1072000000e-03  8.8400000000e-05 -1.8921000000e-03  6.1052000000e-03  1.1028000000e-03  1.7051000000e-03 -1.3500000000e-03 -4.0324000000e-03  5.9360000000e-04 -2.3255000000e-03  3.1760000000e-03 -2.5201000000e-03
+
+JOB 56
+COORDS  5.4675700000e-01  2.9956000000e-02  1.5461760000e+00  8.3080900000e-01  8.9137800000e-01  1.2403990000e+00 -4.0740400000e-01  5.2025000000e-02  1.4732310000e+00 -4.8940500000e-01 -4.0875000000e-02 -1.4727540000e+00 -5.1706200000e-01 -9.9761000000e-01 -1.4839470000e+00 -8.0264700000e-01  2.1842300000e-01 -2.3392850000e+00
+ENERGY -1.526560825004e+02
+FORCES -3.5506000000e-03  4.5599000000e-03 -5.7326000000e-03 -1.2100000000e-04 -2.5120000000e-03  3.2862000000e-03  3.3239000000e-03 -1.0345000000e-03  2.5748000000e-03 -9.0400000000e-05 -4.4117000000e-03 -3.4691000000e-03 -1.1725000000e-03  4.2862000000e-03 -7.0950000000e-04  1.6106000000e-03 -8.8790000000e-04  4.0501000000e-03
+
+JOB 57
+COORDS  6.6450000000e-01  1.0013890000e+00  1.0914490000e+00  1.1196080000e+00  7.3257100000e-01  1.8894750000e+00 -1.3319600000e-01  1.4292590000e+00  1.4026430000e+00 -6.1555400000e-01 -1.0591180000e+00 -1.1859170000e+00 -1.5383550000e+00 -8.1761300000e-01 -1.2655800000e+00 -2.5691600000e-01 -4.3259700000e-01 -5.5736200000e-01
+ENERGY -1.526593316452e+02
+FORCES  1.0729000000e-03  1.8703000000e-03  7.0876000000e-03 -2.3960000000e-03  2.0117000000e-03 -3.2439000000e-03  3.0880000000e-03 -2.9973000000e-03 -2.2983000000e-03  2.4830000000e-04  4.8251000000e-03  3.7310000000e-03  3.1505000000e-03 -5.7490000000e-04  6.8010000000e-04 -5.1637000000e-03 -5.1349000000e-03 -5.9565000000e-03
+
+JOB 58
+COORDS -5.6917400000e-01 -1.5706160000e+00  5.3403600000e-01 -6.1550000000e-03 -7.9848600000e-01  4.7874600000e-01 -1.2783880000e+00 -1.3952700000e+00 -8.4430000000e-02  5.1510200000e-01  1.5113780000e+00 -4.7083500000e-01  8.6924400000e-01  1.2416630000e+00 -1.3182250000e+00  1.2743800000e+00  1.8331710000e+00  1.5146000000e-02
+ENERGY -1.526587329685e+02
+FORCES -7.4820000000e-04  7.0894000000e-03 -2.8904000000e-03 -1.1315000000e-03 -7.2217000000e-03  1.5771000000e-03  2.2299000000e-03 -1.8865000000e-03  1.8227000000e-03  5.1059000000e-03  3.9513000000e-03 -2.8040000000e-03 -1.9283000000e-03  4.2250000000e-04  4.5164000000e-03 -3.5278000000e-03 -2.3549000000e-03 -2.2218000000e-03
+
+JOB 59
+COORDS -1.3253740000e+00 -1.0102410000e+00 -3.9598400000e-01 -6.1343800000e-01 -6.9132500000e-01 -9.5066500000e-01 -1.5523520000e+00 -1.8641590000e+00 -7.6413600000e-01  1.2979780000e+00  1.0787540000e+00  5.1429900000e-01  1.2150160000e+00  1.4159800000e+00 -3.7768100000e-01  1.3266610000e+00  1.2772800000e-01  4.0961700000e-01
+ENERGY -1.526526354831e+02
+FORCES  4.5190000000e-04 -1.8446000000e-03 -4.0704000000e-03 -1.2466000000e-03 -1.6168000000e-03  2.7278000000e-03  1.3046000000e-03  3.9483000000e-03  1.8618000000e-03 -7.3990000000e-04 -2.4057000000e-03 -2.2382000000e-03 -1.4700000000e-04 -2.5495000000e-03  3.2953000000e-03  3.7700000000e-04  4.4683000000e-03 -1.5762000000e-03
+
+JOB 60
+COORDS -1.0187910000e+00  3.4252700000e-01 -1.4694550000e+00 -1.0259910000e+00 -1.7693000000e-01 -6.6549900000e-01 -1.4965980000e+00  1.1406510000e+00 -1.2437770000e+00  1.0023980000e+00 -3.1053800000e-01  1.4048000000e+00  1.0470190000e+00 -1.1421900000e+00  9.3300000000e-01  1.7581960000e+00 -3.2685900000e-01  1.9919420000e+00
+ENERGY -1.526553237584e+02
+FORCES -8.9430000000e-04  2.3821000000e-03  6.0373000000e-03 -6.0300000000e-04  5.8600000000e-05 -4.6815000000e-03  1.2428000000e-03 -3.0168000000e-03 -1.6283000000e-03  5.1373000000e-03 -2.9386000000e-03  6.7230000000e-04 -1.8300000000e-03  3.5878000000e-03  2.0538000000e-03 -3.0528000000e-03 -7.3100000000e-05 -2.4536000000e-03
+
+JOB 61
+COORDS -1.6759300000e-01 -1.7387710000e+00 -6.5293000000e-01 -7.7544500000e-01 -1.0227730000e+00 -4.6828300000e-01  6.9331100000e-01 -1.3213350000e+00 -6.8161800000e-01  1.5406600000e-01  1.6019720000e+00  6.3779300000e-01  1.7901100000e-01  2.2332240000e+00 -8.1326000000e-02  1.2337500000e-01  2.1402710000e+00  1.4286940000e+00
+ENERGY -1.526574702478e+02
+FORCES  1.3901000000e-03  6.6239000000e-03  2.5585000000e-03  9.4370000000e-04 -4.5855000000e-03 -2.3773000000e-03 -2.6083000000e-03 -3.0127000000e-03 -1.3011000000e-03  2.8140000000e-04  6.0867000000e-03  1.8768000000e-03 -1.8210000000e-04 -3.2512000000e-03  2.9498000000e-03  1.7510000000e-04 -1.8611000000e-03 -3.7068000000e-03
+
+JOB 62
+COORDS  8.2853500000e-01  6.7577900000e-01 -1.4649450000e+00  5.3001400000e-01  1.0471360000e+00 -2.2951320000e+00  4.1678600000e-01  1.2223830000e+00 -7.9567700000e-01 -7.7940500000e-01 -6.9053900000e-01  1.5291700000e+00 -1.6010110000e+00 -8.4378500000e-01  1.0625750000e+00 -1.2540900000e-01 -1.1806650000e+00  1.0308760000e+00
+ENERGY -1.526570750454e+02
+FORCES -2.4950000000e-03  4.6903000000e-03 -2.8970000000e-04  9.1780000000e-04 -1.5300000000e-03  3.4932000000e-03  2.0377000000e-03 -2.2250000000e-03 -4.3055000000e-03 -1.8360000000e-04 -4.0556000000e-03 -4.3640000000e-03  3.0047000000e-03  1.1426000000e-03  2.0852000000e-03 -3.2815000000e-03  1.9777000000e-03  3.3809000000e-03
+
+JOB 63
+COORDS  7.6690400000e-01 -9.5689000000e-02 -1.7386550000e+00  8.2416000000e-02 -5.3608100000e-01 -2.2424040000e+00  7.0731400000e-01 -4.8127500000e-01 -8.6458200000e-01 -6.7164000000e-01  1.8226000000e-01  1.6980970000e+00 -8.6267300000e-01 -1.9968500000e-01  2.5547510000e+00 -1.3955480000e+00 -1.0377100000e-01  1.1409830000e+00
+ENERGY -1.526553701438e+02
+FORCES -2.0246000000e-03 -2.7881000000e-03  2.7296000000e-03  2.2472000000e-03  1.8128000000e-03  2.3589000000e-03 -1.7120000000e-04  5.0520000000e-04 -5.9873000000e-03 -4.8239000000e-03 -1.3315000000e-03  2.9568000000e-03  6.9660000000e-04  1.6556000000e-03 -3.8876000000e-03  4.0758000000e-03  1.4590000000e-04  1.8296000000e-03
+
+JOB 64
+COORDS  6.3615700000e-01 -1.0663600000e+00  1.4246470000e+00  7.9722200000e-01 -1.0643240000e+00  2.3681970000e+00  9.8147600000e-01 -1.9069740000e+00  1.1240560000e+00 -7.1121900000e-01  1.0831630000e+00 -1.5005270000e+00 -4.2522400000e-01  8.7628200000e-01 -6.1078600000e-01 -1.9780100000e-01  1.8532420000e+00 -1.7446830000e+00
+ENERGY -1.526572728216e+02
+FORCES  2.2317000000e-03 -4.7428000000e-03  3.0610000000e-03 -5.0310000000e-04 -1.0640000000e-04 -3.9908000000e-03 -1.2041000000e-03  3.5148000000e-03  1.8453000000e-03  3.5339000000e-03  1.2023000000e-03  3.8539000000e-03 -2.0897000000e-03  2.9290000000e-03 -5.5566000000e-03 -1.9687000000e-03 -2.7968000000e-03  7.8710000000e-04
+
+JOB 65
+COORDS -1.6632700000e-01 -2.7552900000e-01 -1.9538720000e+00 -1.0580530000e+00 -4.1887900000e-01 -2.2709040000e+00  3.5473900000e-01 -9.4963700000e-01 -2.3901060000e+00  1.4421600000e-01  3.6759100000e-01  2.0138590000e+00  9.8270000000e-02 -5.6431600000e-01  2.2275650000e+00  9.0046500000e-01  4.4337100000e-01  1.4319850000e+00
+ENERGY -1.526546334364e+02
+FORCES -2.6662000000e-03 -2.9068000000e-03 -3.4094000000e-03  3.9090000000e-03  3.1390000000e-04  9.0700000000e-04 -1.8822000000e-03  2.7549000000e-03  2.3297000000e-03  2.6002000000e-03 -3.4554000000e-03 -3.4742000000e-03  1.8290000000e-04  3.5011000000e-03 -2.3620000000e-04 -2.1437000000e-03 -2.0770000000e-04  3.8830000000e-03
+
+JOB 66
+COORDS  1.1157560000e+00 -1.5755550000e+00 -7.9712400000e-01  6.6927500000e-01 -1.1948380000e+00 -1.5533920000e+00  2.0136120000e+00 -1.2496560000e+00 -8.5938300000e-01 -1.1292370000e+00  1.5432580000e+00  8.9369700000e-01 -1.1882500000e+00  7.3952400000e-01  3.7720800000e-01 -1.2369840000e+00  2.2476650000e+00  2.5460900000e-01
+ENERGY -1.526543197165e+02
+FORCES  3.3445000000e-03  2.4278000000e-03 -3.2324000000e-03  9.4190000000e-04 -9.9820000000e-04  3.7483000000e-03 -3.8362000000e-03 -1.5960000000e-03 -1.4200000000e-04 -4.2180000000e-04 -1.3174000000e-03 -4.1497000000e-03 -6.7100000000e-04  4.4301000000e-03  1.4217000000e-03  6.4250000000e-04 -2.9464000000e-03  2.3541000000e-03
+
+JOB 67
+COORDS  1.1506610000e+00  9.8789300000e-01  1.5128180000e+00  9.4088200000e-01  2.3816000000e-01  9.5592900000e-01  1.7991100000e+00  6.5286400000e-01  2.1320930000e+00 -1.1838820000e+00 -8.6287800000e-01 -1.5315500000e+00 -7.1782500000e-01 -1.2531920000e+00 -7.9217300000e-01 -1.5184150000e+00 -1.6109280000e+00 -2.0262620000e+00
+ENERGY -1.526526287335e+02
+FORCES  1.9901000000e-03 -3.8502000000e-03 -6.9800000000e-05  4.3800000000e-04  1.8434000000e-03  2.5628000000e-03 -2.8506000000e-03  1.3454000000e-03 -2.6495000000e-03 -4.1990000000e-04 -5.1203000000e-03  4.0000000000e-04 -5.6980000000e-04  2.5024000000e-03 -2.3436000000e-03  1.4122000000e-03  3.2794000000e-03  2.1001000000e-03
+
+JOB 68
+COORDS  7.5418800000e-01  1.9553010000e+00  4.9114100000e-01  9.1484600000e-01  1.0214620000e+00  6.2665800000e-01  5.4952900000e-01  2.2926390000e+00  1.3632360000e+00 -7.4686000000e-01 -1.9656340000e+00 -5.0506600000e-01 -1.5244050000e+00 -1.4816130000e+00 -7.8323700000e-01 -4.2274000000e-02 -1.6251750000e+00 -1.0563170000e+00
+ENERGY -1.526554380803e+02
+FORCES -2.2280000000e-04 -2.5232000000e-03  4.9121000000e-03 -2.5580000000e-04  4.2863000000e-03 -1.4362000000e-03  8.6200000000e-04 -1.1729000000e-03 -3.5908000000e-03 -1.2037000000e-03  2.8899000000e-03 -4.4669000000e-03  3.2884000000e-03 -2.3090000000e-03  1.3595000000e-03 -2.4681000000e-03 -1.1711000000e-03  3.2223000000e-03
+
+JOB 69
+COORDS -6.0056000000e-01  1.3140060000e+00  1.6525730000e+00 -1.5360640000e+00  1.1660860000e+00  1.7910860000e+00 -4.6994400000e-01  2.2384810000e+00  1.8635600000e+00  6.2156000000e-01 -1.4168170000e+00 -1.6856180000e+00  4.1545300000e-01 -5.7286000000e-01 -2.0874740000e+00  1.2744850000e+00 -1.2110020000e+00 -1.0166180000e+00
+ENERGY -1.526551067685e+02
+FORCES -3.8822000000e-03  2.9031000000e-03  1.9046000000e-03  3.9184000000e-03  9.7110000000e-04 -4.8100000000e-04 -4.1070000000e-04 -3.8358000000e-03 -1.0943000000e-03  1.4836000000e-03  4.9587000000e-03  2.2653000000e-03  8.6960000000e-04 -3.5661000000e-03  7.8930000000e-04 -1.9788000000e-03 -1.4311000000e-03 -3.3839000000e-03
+
+JOB 70
+COORDS -1.1247400000e-01  1.8746680000e+00  1.2323960000e+00  2.2333700000e-01  2.3765150000e+00  1.9751020000e+00 -2.4682400000e-01  2.5258670000e+00  5.4383100000e-01  1.1091300000e-01 -1.9316480000e+00 -1.3003820000e+00  2.2987100000e-01 -2.7741800000e+00 -8.6195200000e-01 -1.9973900000e-01 -1.3443090000e+00 -6.1135500000e-01
+ENERGY -1.526557516731e+02
+FORCES  1.1199000000e-03  5.3304000000e-03  4.0600000000e-04 -1.4518000000e-03 -1.9343000000e-03 -3.0641000000e-03  4.5610000000e-04 -2.7578000000e-03  2.9954000000e-03 -6.8280000000e-04 -3.1710000000e-04  5.1858000000e-03 -4.5080000000e-04  3.1095000000e-03 -1.8359000000e-03  1.0094000000e-03 -3.4307000000e-03 -3.6873000000e-03
+
+JOB 71
+COORDS  2.4859000000e-01  1.4379220000e+00  1.7984790000e+00 -3.2514000000e-01  1.7171150000e+00  1.0849540000e+00  6.2477000000e-02  2.0507310000e+00  2.5098570000e+00 -2.6132500000e-01 -1.4912840000e+00 -1.7724400000e+00  2.5898200000e-01 -2.2497000000e+00 -2.0376160000e+00  2.9031800000e-01 -7.3720200000e-01 -1.9804820000e+00
+ENERGY -1.526541084149e+02
+FORCES -3.6794000000e-03  3.1826000000e-03  9.8500000000e-05  2.8413000000e-03 -6.3780000000e-04  2.7463000000e-03  8.2790000000e-04 -2.4800000000e-03 -2.8831000000e-03  4.9047000000e-03 -3.4500000000e-04 -1.3276000000e-03 -2.2087000000e-03  3.0340000000e-03  8.1160000000e-04 -2.6859000000e-03 -2.7538000000e-03  5.5420000000e-04
+
+JOB 72
+COORDS  1.4157000000e-01 -2.3568490000e+00 -5.2865700000e-01  1.0048700000e+00 -1.9818960000e+00 -7.0288500000e-01 -1.2798500000e-01 -2.7373110000e+00 -1.3646120000e+00 -1.6070100000e-01  2.3896490000e+00  6.4309000000e-01 -1.2175500000e-01  2.6502170000e+00 -2.7713800000e-01 -4.8570000000e-01  1.4895120000e+00  6.2408500000e-01
+ENERGY -1.526550259239e+02
+FORCES  2.8345000000e-03 -1.1526000000e-03 -4.1363000000e-03 -4.0056000000e-03 -1.1432000000e-03  6.3440000000e-04  1.1144000000e-03  1.8212000000e-03  3.4575000000e-03 -1.6455000000e-03 -2.9945000000e-03 -3.5603000000e-03  6.7800000000e-05 -9.9220000000e-04  3.5952000000e-03  1.6344000000e-03  4.4611000000e-03  9.4000000000e-06
+
+JOB 73
+COORDS  9.5345000000e-01  2.1130510000e+00 -6.4534500000e-01  1.3172040000e+00  2.2809300000e+00 -1.5146730000e+00  6.2110800000e-01  2.9628130000e+00 -3.5606200000e-01 -9.7014400000e-01 -2.2242370000e+00  7.1415800000e-01 -2.8627900000e-01 -1.5825850000e+00  9.0610500000e-01 -1.3884490000e+00 -1.8980650000e+00 -8.2626000000e-02
+ENERGY -1.526555334050e+02
+FORCES  4.7990000000e-04  4.7631000000e-03 -2.4383000000e-03 -1.6367000000e-03 -7.2830000000e-04  3.5938000000e-03  1.3546000000e-03 -3.5704000000e-03 -1.2851000000e-03  1.4923000000e-03  4.6802000000e-03 -2.6027000000e-03 -2.9562000000e-03 -3.3720000000e-03 -3.3820000000e-04  1.2662000000e-03 -1.7725000000e-03  3.0705000000e-03
+
+JOB 74
+COORDS -1.8846020000e+00  9.9929600000e-01 -1.2133210000e+00 -2.6526990000e+00  9.8485800000e-01 -1.7843300000e+00 -1.4210740000e+00  1.8621000000e-01 -1.4139830000e+00  1.9291010000e+00 -9.7269900000e-01  1.2055710000e+00  1.9903320000e+00 -1.1113500000e-01  1.6181110000e+00  1.3574380000e+00 -1.4762130000e+00  1.7851450000e+00
+ENERGY -1.526549226456e+02
+FORCES -7.8080000000e-04 -3.4868000000e-03 -3.3118000000e-03  3.0575000000e-03  3.8700000000e-05  2.3475000000e-03 -2.5659000000e-03  3.4424000000e-03  7.2870000000e-04 -1.9888000000e-03  1.9079000000e-03  4.3685000000e-03 -2.4000000000e-05 -3.7660000000e-03 -1.5842000000e-03  2.3021000000e-03  1.8638000000e-03 -2.5488000000e-03
+
+JOB 75
+COORDS -5.6215300000e-01  3.8793900000e-01 -2.5002970000e+00 -1.4998320000e+00  2.8684200000e-01 -2.3366810000e+00 -2.0150700000e-01  6.7362000000e-01 -1.6609210000e+00  6.1380100000e-01 -3.4772000000e-01  2.5002570000e+00 -8.6586000000e-02 -2.5114900000e-01  1.8549950000e+00  9.9484900000e-01 -1.2058730000e+00  2.3142260000e+00
+ENERGY -1.526536760047e+02
+FORCES -2.2744000000e-03  1.3882000000e-03  3.4629000000e-03  4.0466000000e-03  2.1420000000e-04 -3.1730000000e-04 -1.8608000000e-03 -1.8064000000e-03 -3.0865000000e-03 -1.1372000000e-03 -3.6837000000e-03 -2.8246000000e-03  2.9127000000e-03  1.3490000000e-04  2.0253000000e-03 -1.6868000000e-03  3.7528000000e-03  7.4010000000e-04
+
+JOB 76
+COORDS  2.0176900000e-01 -1.4450130000e+00  2.0381810000e+00 -1.3693600000e-01 -2.2912980000e+00  2.3302650000e+00  8.2964900000e-01 -1.1913770000e+00  2.7146920000e+00 -1.8338300000e-01  1.4783000000e+00 -2.0319770000e+00 -4.5008000000e-02  2.0852480000e+00 -2.7590930000e+00 -8.8897200000e-01  9.0405600000e-01 -2.3296690000e+00
+ENERGY -1.526534762722e+02
+FORCES  1.4957000000e-03 -1.9803000000e-03  3.8700000000e-03  1.2699000000e-03  3.4338000000e-03 -1.3179000000e-03 -2.6280000000e-03 -1.2525000000e-03 -2.5927000000e-03 -2.4706000000e-03 -3.9270000000e-04 -3.7658000000e-03 -4.7210000000e-04 -2.4097000000e-03  3.0147000000e-03  2.8051000000e-03  2.6014000000e-03  7.9160000000e-04
+
+JOB 77
+COORDS  2.4881300000e-01  1.8414870000e+00  1.8449510000e+00 -2.6053400000e-01  2.1294970000e+00  1.0874230000e+00  2.2377000000e-02  2.4630590000e+00  2.5367650000e+00 -1.7526800000e-01 -1.9482150000e+00 -1.8613390000e+00 -1.9969900000e-01 -1.0984690000e+00 -2.3013020000e+00 -7.1189900000e-01 -1.8283110000e+00 -1.0778330000e+00
+ENERGY -1.526539273932e+02
+FORCES -2.6863000000e-03  4.1078000000e-03  1.3730000000e-04  1.9192000000e-03 -1.6165000000e-03  2.8368000000e-03  8.8960000000e-04 -2.5922000000e-03 -2.9326000000e-03 -1.8874000000e-03  3.9054000000e-03  1.8776000000e-03 -1.0290000000e-04 -3.3243000000e-03  1.6743000000e-03  1.8680000000e-03 -4.8020000000e-04 -3.5935000000e-03
+
+JOB 78
+COORDS -3.5413700000e-01 -1.6946340000e+00 -2.0002150000e+00  2.9014800000e-01 -2.3804890000e+00 -2.1755200000e+00 -1.1996860000e+00 -2.1118140000e+00 -2.1652630000e+00  3.7672500000e-01  1.8201520000e+00  2.0402900000e+00  7.3283500000e-01  1.0193290000e+00  2.4251280000e+00 -1.2892600000e-01  1.5193220000e+00  1.2852730000e+00
+ENERGY -1.526550010916e+02
+FORCES -7.4790000000e-04 -4.7199000000e-03 -1.9821000000e-03 -2.7176000000e-03  2.7959000000e-03  8.5660000000e-04  3.5039000000e-03  1.7588000000e-03  8.4420000000e-04 -5.8270000000e-04 -4.7561000000e-03 -2.1386000000e-03 -1.3367000000e-03  3.2784000000e-03 -1.1741000000e-03  1.8810000000e-03  1.6428000000e-03  3.5940000000e-03
+
+JOB 79
+COORDS -1.4457500000e+00  2.0075530000e+00 -2.0756130000e+00 -6.3188000000e-01  1.5344090000e+00 -2.2487690000e+00 -2.1261270000e+00  1.4721110000e+00 -2.4838050000e+00  1.4341100000e+00 -1.9625770000e+00  2.1711540000e+00  1.1446000000e+00 -2.5887910000e+00  1.5076250000e+00  1.7990260000e+00 -1.2333250000e+00  1.6698970000e+00
+ENERGY -1.526537679268e+02
+FORCES  3.0680000000e-04 -3.9582000000e-03 -2.4725000000e-03 -3.1914000000e-03  1.7879000000e-03  8.7630000000e-04  2.8947000000e-03  2.1444000000e-03  1.6798000000e-03  2.4880000000e-04  5.4000000000e-04 -4.5598000000e-03  1.1941000000e-03  2.5839000000e-03  2.5956000000e-03 -1.4529000000e-03 -3.0978000000e-03  1.8806000000e-03
+
+JOB 80
+COORDS -1.0405480000e+00 -1.8635380000e+00  2.6202670000e+00 -3.4690600000e-01 -2.3361610000e+00  2.1601360000e+00 -1.8006430000e+00 -2.4430660000e+00  2.5689340000e+00  1.0592700000e+00  1.9795310000e+00 -2.6109950000e+00  2.7371200000e-01  1.4915850000e+00 -2.8580580000e+00  1.5683840000e+00  1.3637680000e+00 -2.0838600000e+00
+ENERGY -1.526539783944e+02
+FORCES -3.7370000000e-04 -4.3988000000e-03 -1.7647000000e-03 -2.8022000000e-03  2.0677000000e-03  1.6671000000e-03  3.1594000000e-03  2.3989000000e-03  1.1290000000e-04 -1.2646000000e-03 -4.3867000000e-03  1.4030000000e-03  3.2621000000e-03  1.9175000000e-03  8.6930000000e-04 -1.9810000000e-03  2.4015000000e-03 -2.2876000000e-03
+
+JOB 81
+COORDS  9.8738800000e-01  2.2384150000e+00 -2.9471550000e+00  1.0563540000e+00  1.9409500000e+00 -3.8543430000e+00  1.7586170000e+00  2.7900340000e+00 -2.8161820000e+00 -1.0510780000e+00 -2.3154530000e+00  2.9995580000e+00 -6.7153900000e-01 -1.6946290000e+00  3.6214580000e+00 -1.1168450000e+00 -1.8246740000e+00  2.1803870000e+00
+ENERGY -1.526543764274e+02
+FORCES  3.4462000000e-03  1.0878000000e-03 -3.3240000000e-03 -2.7640000000e-04  1.2146000000e-03  3.7353000000e-03 -3.1577000000e-03 -2.2716000000e-03 -4.7080000000e-04  1.2850000000e-03  4.6410000000e-03 -9.7140000000e-04 -1.5286000000e-03 -2.5645000000e-03 -2.4259000000e-03  2.3150000000e-04 -2.1072000000e-03  3.4567000000e-03
+
+JOB 82
+COORDS -1.8436190000e+00  9.6564400000e-01 -3.4125920000e+00 -1.7563320000e+00  1.4397000000e-02 -3.4737620000e+00 -1.1380470000e+00  1.2340320000e+00 -2.8240620000e+00  1.8122250000e+00 -9.8813300000e-01  3.3531240000e+00  2.3768010000e+00 -4.1459600000e-01  3.8713330000e+00  9.8104000000e-01 -5.1709600000e-01  3.2940630000e+00
+ENERGY -1.526541857370e+02
+FORCES  3.3129000000e-03 -2.8775000000e-03  2.0649000000e-03 -4.0690000000e-04  3.9179000000e-03  2.5860000000e-04 -2.9386000000e-03 -1.0151000000e-03 -2.3290000000e-03 -1.0548000000e-03  4.2144000000e-03  2.1190000000e-03 -2.3217000000e-03 -2.3274000000e-03 -2.1815000000e-03  3.4091000000e-03 -1.9122000000e-03  6.8000000000e-05
+
+JOB 83
+COORDS -1.0019170000e+00  3.8451990000e+00  3.2457300000e-01 -1.3429730000e+00  3.7271260000e+00 -5.6197700000e-01 -1.4120700000e-01  4.2448570000e+00  1.9934200000e-01  9.6382600000e-01 -3.7988510000e+00 -2.6142300000e-01  5.9048900000e-01 -4.3581070000e+00 -9.4265900000e-01  1.4327180000e+00 -4.4027030000e+00  3.1454200000e-01
+ENERGY -1.526539803184e+02
+FORCES  2.2217000000e-03  8.6660000000e-04 -4.1437000000e-03  1.3249000000e-03  6.1760000000e-04  3.5928000000e-03 -3.5318000000e-03 -1.5019000000e-03  5.2140000000e-04  3.2680000000e-04 -4.7281000000e-03 -3.1160000000e-04  1.5425000000e-03  2.2986000000e-03  2.7322000000e-03 -1.8840000000e-03  2.4471000000e-03 -2.3910000000e-03
+
+JOB 84
+COORDS -6.1505000000e-01 -2.9880950000e+00  2.7353930000e+00 -1.3421280000e+00 -3.4359170000e+00  2.3029060000e+00  1.1719600000e-01 -3.0745050000e+00  2.1249990000e+00  5.9631900000e-01  3.0706830000e+00 -2.7124590000e+00  9.2196400000e-01  3.0371890000e+00 -1.8129780000e+00  5.5476100000e-01  2.1546150000e+00 -2.9869120000e+00
+ENERGY -1.526540127161e+02
+FORCES -5.3000000000e-05 -2.3534000000e-03 -4.1214000000e-03  3.0215000000e-03  1.8857000000e-03  1.7171000000e-03 -2.9775000000e-03  4.9090000000e-04  2.4135000000e-03  1.1260000000e-03 -3.7888000000e-03  2.6263000000e-03 -1.2977000000e-03  8.9400000000e-05 -3.7375000000e-03  1.8070000000e-04  3.6762000000e-03  1.1021000000e-03
+
+JOB 85
+COORDS  6.5045200000e-01  4.2665640000e+00 -9.1578900000e-01  1.3582450000e+00  4.5589040000e+00 -1.4900690000e+00  4.0001000000e-02  5.0034910000e+00 -8.9301800000e-01 -6.4671900000e-01 -4.3475950000e+00  1.0077440000e+00 -1.4047000000e-02 -3.9297640000e+00  4.2347100000e-01 -1.4709610000e+00 -4.3293970000e+00  5.2140400000e-01
+ENERGY -1.526541532409e+02
+FORCES  4.1240000000e-04  4.2783000000e-03 -2.1690000000e-03 -2.8979000000e-03 -1.2352000000e-03  2.3143000000e-03  2.4850000000e-03 -3.0254000000e-03 -1.2730000000e-04 -7.6320000000e-04  1.9784000000e-03 -4.3480000000e-03 -2.5652000000e-03 -1.8337000000e-03  2.3554000000e-03  3.3288000000e-03 -1.6230000000e-04  1.9748000000e-03
+
+JOB 86
+COORDS  1.4977630000e+00  2.1521580000e+00  4.1641410000e+00  1.1262910000e+00  2.1028240000e+00  3.2833420000e+00  9.3441800000e-01  1.5882430000e+00  4.6941170000e+00 -1.4626720000e+00 -2.1301320000e+00 -4.2164200000e+00 -7.8732600000e-01 -1.6074370000e+00 -3.7840660000e+00 -1.9623400000e+00 -2.5181860000e+00 -3.4981040000e+00
+ENERGY -1.526539353636e+02
+FORCES -3.8088000000e-03 -2.4281000000e-03 -1.3415000000e-03  1.5125000000e-03  1.3640000000e-04  3.5440000000e-03  2.2986000000e-03  2.2775000000e-03 -2.2225000000e-03  7.3860000000e-04  4.9640000000e-04  4.6127000000e-03 -2.7907000000e-03 -2.1108000000e-03 -1.7023000000e-03  2.0497000000e-03  1.6285000000e-03 -2.8905000000e-03
+
+JOB 87
+COORDS -3.5405870000e+00  1.9458820000e+00  3.0132180000e+00 -2.8919420000e+00  1.9637510000e+00  3.7169030000e+00 -4.3128210000e+00  1.5417160000e+00  3.4088660000e+00  3.5402000000e+00 -1.9412030000e+00 -3.0119620000e+00  3.7910900000e+00 -1.0813420000e+00 -3.3494900000e+00  3.4264510000e+00 -2.4819680000e+00 -3.7935410000e+00
+ENERGY -1.526540619467e+02
+FORCES -4.3570000000e-04 -1.6512000000e-03  4.4627000000e-03 -2.6798000000e-03 -2.9500000000e-05 -2.8469000000e-03  3.1216000000e-03  1.6729000000e-03 -1.6091000000e-03  4.7360000000e-04  1.3544000000e-03 -4.5590000000e-03 -9.7280000000e-04 -3.5284000000e-03  1.3676000000e-03  4.9310000000e-04  2.1818000000e-03  3.1847000000e-03
+
+JOB 88
+COORDS  1.2332100000e-01 -4.9933400000e+00 -3.0369900000e+00  2.3638000000e-01 -5.9425410000e+00 -3.0866470000e+00  9.6377100000e-01 -4.6681030000e+00 -2.7143500000e+00 -2.2376700000e-01  4.9855240000e+00  3.0265090000e+00  6.8035100000e-01  4.7924960000e+00  3.2745880000e+00 -1.9856400000e-01  5.8891550000e+00  2.7117900000e+00
+ENERGY -1.526540214555e+02
+FORCES  3.8650000000e-03 -2.5211000000e-03  1.1487000000e-03 -4.5370000000e-04  3.8680000000e-03  1.9160000000e-04 -3.4091000000e-03 -1.3414000000e-03 -1.3349000000e-03  3.7664000000e-03  2.8937000000e-03 -2.9780000000e-04 -3.6769000000e-03  7.8430000000e-04 -1.0039000000e-03 -9.1500000000e-05 -3.6836000000e-03  1.2963000000e-03
+
+JOB 89
+COORDS  9.0823280000e+00  6.9525880000e+00 -1.2673520000e+00  9.1532110000e+00  7.8300800000e+00 -8.9156400000e-01  8.2834640000e+00  6.5909790000e+00 -8.8357300000e-01 -9.0243150000e+00 -6.9655400000e+00  1.2878060000e+00 -8.4180070000e+00 -7.0906370000e+00  5.5775700000e-01 -9.8916020000e+00 -7.0969790000e+00  9.0470100000e-01
+ENERGY -1.526540803452e+02
+FORCES -2.9696000000e-03  2.1032000000e-03  3.1032000000e-03 -2.8870000000e-04 -3.5784000000e-03 -1.5350000000e-03  3.2586000000e-03  1.4755000000e-03 -1.5684000000e-03 -1.0653000000e-03 -1.0524000000e-03 -4.5418000000e-03 -2.4728000000e-03  5.1350000000e-04  2.9788000000e-03  3.5378000000e-03  5.3860000000e-04  1.5632000000e-03
+
+JOB 0
+COORDS  4.3844100000e-01 -1.0751980000e+00  6.2896000000e-01  1.8480900000e-01 -2.0896800000e-01  3.1029300000e-01  1.0761900000e+00 -8.9917400000e-01  1.3207140000e+00 -4.0385300000e-01  9.7219000000e-01 -6.5390300000e-01 -4.4609500000e-01  1.7703260000e+00 -1.2719000000e-01 -1.2639050000e+00  9.1341300000e-01 -1.0699420000e+00
+ENERGY -1.526561717585e+02
+FORCES -6.5325000000e-03  1.6412100000e-02 -1.1429900000e-02  4.0551000000e-03 -4.1279000000e-03  7.7110000000e-03 -2.7039000000e-03  2.9533000000e-03 -2.8529000000e-03 -6.6100000000e-05 -1.1264600000e-02  5.3868000000e-03  7.0820000000e-04 -6.4076000000e-03 -1.2170000000e-03  4.5393000000e-03  2.4348000000e-03  2.4020000000e-03
+
+JOB 1
+COORDS  5.4425700000e-01  1.0229540000e+00  6.1960700000e-01  3.1166200000e-01  1.3133700000e-01  3.6047000000e-01  1.4141070000e+00  9.4009400000e-01  1.0104100000e+00 -5.7740600000e-01 -9.2671500000e-01 -5.7601300000e-01 -5.4866600000e-01 -6.2721400000e-01 -1.4846960000e+00 -7.0214700000e-01 -1.8736420000e+00 -6.3926400000e-01
+ENERGY -1.526578919443e+02
+FORCES -7.4147000000e-03 -1.4910800000e-02 -6.7825000000e-03  4.4505000000e-03  6.7446000000e-03  2.0565000000e-03 -3.0517000000e-03 -2.4736000000e-03 -1.9381000000e-03  5.3217000000e-03  9.3152000000e-03  3.1132000000e-03 -2.3650000000e-04 -3.7540000000e-03  4.5572000000e-03  9.3070000000e-04  5.0787000000e-03 -1.0063000000e-03
+
+JOB 2
+COORDS  7.4581000000e-02  7.8485000000e-02 -1.2515040000e+00  5.0241200000e-01 -6.2460200000e-01 -1.7402390000e+00  7.1958200000e-01  7.8552000000e-01 -1.2339900000e+00 -9.5639000000e-02 -1.1253900000e-01  1.2943120000e+00 -3.1543700000e-01  1.8543200000e-01  4.1162700000e-01 -7.6116500000e-01  2.8626200000e-01  1.8549060000e+00
+ENERGY -1.526562147481e+02
+FORCES  3.3371000000e-03 -5.8088000000e-03  1.2116800000e-02 -7.9140000000e-04  4.8518000000e-03  5.0760000000e-04 -4.6372000000e-03 -3.7350000000e-03  2.0830000000e-03 -1.1910000000e-04 -1.0389000000e-03 -1.7409100000e-02  7.3660000000e-04  5.9040000000e-03  7.9365000000e-03  1.4740000000e-03 -1.7310000000e-04 -5.2347000000e-03
+
+JOB 3
+COORDS  4.1638500000e-01  1.1532820000e+00 -1.4126500000e-01  9.0292000000e-02  1.6196720000e+00 -9.1092500000e-01  1.0165080000e+00  1.7706270000e+00  2.7702700000e-01 -4.5483000000e-01 -1.2372060000e+00  2.1811600000e-01 -3.0894200000e-01 -1.6783470000e+00 -6.1874900000e-01 -1.9004400000e-01 -3.3087400000e-01  6.1011000000e-02
+ENERGY -1.526566110811e+02
+FORCES -3.3169000000e-03 -1.2323100000e-02  4.0369000000e-03  2.5648000000e-03 -2.6981000000e-03  4.0860000000e-03 -3.4608000000e-03 -1.0013000000e-03 -4.3230000000e-03  8.5707000000e-03  1.7914700000e-02 -2.9185000000e-03 -3.1740000000e-04  2.9478000000e-03  1.3458000000e-03 -4.0405000000e-03 -4.8400000000e-03 -2.2272000000e-03
+
+JOB 4
+COORDS -2.6690600000e-01 -3.3635500000e-01  1.1702940000e+00 -9.5712500000e-01 -8.2338000000e-01  1.6204450000e+00  5.4793400000e-01 -7.2136800000e-01  1.4928330000e+00  2.6668000000e-01  3.5950400000e-01 -1.2798510000e+00  2.3825200000e-01 -7.2476000000e-02 -4.2614400000e-01  1.9974000000e-01  1.2929600000e+00 -1.0788270000e+00
+ENERGY -1.526559154421e+02
+FORCES -1.4456000000e-03  3.9050000000e-04 -8.8124000000e-03  4.8339000000e-03  2.5032000000e-03 -6.8940000000e-04 -4.7205000000e-03  2.1952000000e-03 -5.5266000000e-03 -6.9728000000e-03 -2.3423000000e-03  1.8951700000e-02  7.7962000000e-03 -8.2400000000e-04 -2.8957000000e-03  5.0880000000e-04 -1.9227000000e-03 -1.0276000000e-03
+
+JOB 5
+COORDS  4.0106300000e-01  1.0486570000e+00 -7.4637200000e-01  1.3454440000e+00  1.1953380000e+00 -7.9986100000e-01  2.9829800000e-01  3.9717800000e-01 -5.2652000000e-02 -4.8362300000e-01 -9.7135700000e-01  7.4049200000e-01 -7.5874600000e-01 -1.4050910000e+00 -6.7230000000e-02  3.5669300000e-01 -1.3759430000e+00  9.5592300000e-01
+ENERGY -1.526569480710e+02
+FORCES -5.2548000000e-03 -1.0314200000e-02  1.0853300000e-02 -3.2141000000e-03 -3.2594000000e-03  2.1503000000e-03  7.7815000000e-03  4.2292000000e-03 -7.0786000000e-03  6.9520000000e-04  1.0000000000e-05 -7.3100000000e-03  2.8641000000e-03  2.7550000000e-03  4.9348000000e-03 -2.8718000000e-03  6.5793000000e-03 -3.5497000000e-03
+
+JOB 6
+COORDS -6.4689100000e-01 -6.3823900000e-01  9.0602600000e-01 -1.8947100000e-01 -1.1950750000e+00  1.5360510000e+00 -1.1746430000e+00 -1.2457120000e+00  3.8767600000e-01  6.2293900000e-01  7.6809800000e-01 -9.2815100000e-01  1.3688590000e+00  3.5580800000e-01 -1.3638710000e+00  3.7249400000e-01  1.4821300000e-01 -2.4313100000e-01
+ENERGY -1.526585151470e+02
+FORCES  7.5190000000e-04  8.9140000000e-04 -4.4691000000e-03 -1.5472000000e-03  2.8001000000e-03 -5.1428000000e-03  4.6800000000e-03  2.8560000000e-03  2.8601000000e-03 -6.8231000000e-03 -8.8241000000e-03  1.2371300000e-02 -3.0850000000e-03 -7.9720000000e-04  3.0858000000e-03  6.0233000000e-03  3.0738000000e-03 -8.7053000000e-03
+
+JOB 7
+COORDS  3.3180000000e-02 -8.1150300000e-01  1.0062970000e+00  8.7305700000e-01 -1.2453310000e+00  8.5585600000e-01 -8.6715000000e-02 -8.4324400000e-01  1.9554280000e+00 -1.1224200000e-01  8.7650200000e-01 -1.0822840000e+00 -3.4318600000e-01  3.3263100000e-01 -3.2922200000e-01  8.2042500000e-01  7.1142000000e-01 -1.2205270000e+00
+ENERGY -1.526578591003e+02
+FORCES  1.9933000000e-03  3.8413000000e-03 -3.1472000000e-03 -3.7925000000e-03  2.8674000000e-03  1.1083000000e-03  1.8659000000e-03 -6.6740000000e-04 -4.6303000000e-03  2.7140000000e-03 -9.4097000000e-03  1.2870300000e-02 -1.0057000000e-03  3.6063000000e-03 -6.2182000000e-03 -1.7750000000e-03 -2.3780000000e-04  1.7200000000e-05
+
+JOB 8
+COORDS -3.7054500000e-01 -1.0222420000e+00 -7.9732700000e-01 -2.5080800000e-01 -7.2834700000e-01 -1.7003890000e+00  5.0423700000e-01 -1.2873550000e+00 -5.1324400000e-01  3.6132400000e-01  1.0670130000e+00  8.4351000000e-01 -2.8412100000e-01  7.8876900000e-01  1.4932880000e+00  1.3945200000e-01  5.6939700000e-01  5.6501000000e-02
+ENERGY -1.526576891132e+02
+FORCES  4.0105000000e-03 -9.6000000000e-04  5.5230000000e-04  4.0680000000e-04  1.1519000000e-03  6.8772000000e-03 -5.3905000000e-03  5.2283000000e-03 -1.2071000000e-03 -9.4708000000e-03 -1.0999000000e-02 -6.7298000000e-03  2.7239000000e-03  1.2376000000e-03 -6.8500000000e-04  7.7201000000e-03  4.3412000000e-03  1.1925000000e-03
+
+JOB 9
+COORDS  5.6313500000e-01  8.1857400000e-01 -8.3894000000e-01  1.1124320000e+00  3.2913000000e-01 -1.4512710000e+00  4.0203000000e-01  1.6545280000e+00 -1.2765000000e+00 -5.8769300000e-01 -8.4842200000e-01  9.6387700000e-01 -3.0884000000e-02 -2.4037000000e-01  4.7759600000e-01 -1.0817600000e+00 -1.3136450000e+00  2.8882300000e-01
+ENERGY -1.526589915167e+02
+FORCES -3.1072000000e-03 -1.1066000000e-03  2.1712000000e-03 -3.7247000000e-03  2.4357000000e-03  3.0101000000e-03  1.9251000000e-03 -4.6877000000e-03  1.1710000000e-04  3.5482000000e-03  9.1706000000e-03 -1.1489600000e-02 -2.1200000000e-05 -6.1873000000e-03  4.4640000000e-03  1.3797000000e-03  3.7540000000e-04  1.7271000000e-03
+
+JOB 10
+COORDS  2.7629000000e-02  1.3067460000e+00 -7.5106000000e-02  6.2312400000e-01  1.9882280000e+00  2.3666400000e-01  6.8606000000e-02  1.3703930000e+00 -1.0293080000e+00 -7.0542000000e-02 -1.4013000000e+00  5.9515000000e-02  2.1629100000e-01 -4.8843300000e-01  3.4333000000e-02 -3.0862200000e-01 -1.5529020000e+00  9.7415500000e-01
+ENERGY -1.526594299049e+02
+FORCES  3.6930000000e-04 -1.3551000000e-03 -2.0159000000e-03 -3.2477000000e-03 -3.6522000000e-03 -2.0500000000e-03  1.4572000000e-03 -1.6692000000e-03  6.2192000000e-03 -4.0540000000e-04  1.4902700000e-02  3.6836000000e-03  7.8780000000e-04 -8.5112000000e-03 -3.6515000000e-03  1.0388000000e-03  2.8510000000e-04 -2.1855000000e-03
+
+JOB 11
+COORDS  9.2390800000e-01 -3.3141000000e-01  8.7317000000e-01  1.6759140000e+00 -6.0284100000e-01  3.4681900000e-01  1.0346590000e+00 -7.9160300000e-01  1.7051480000e+00 -9.5129900000e-01  4.0482700000e-01 -9.3749500000e-01 -1.7747050000e+00 -6.5007000000e-02 -8.0524200000e-01 -4.3952200000e-01  2.1840900000e-01 -1.5037100000e-01
+ENERGY -1.526604487570e+02
+FORCES -1.4853000000e-03 -9.1150000000e-04 -4.1421000000e-03 -3.1458000000e-03  6.7930000000e-04  4.3153000000e-03  5.2930000000e-04  1.3158000000e-03 -4.5033000000e-03  6.8516000000e-03 -4.8579000000e-03  1.0413500000e-02  2.7534000000e-03  9.4170000000e-04  6.0670000000e-04 -5.5032000000e-03  2.8325000000e-03 -6.6901000000e-03
+
+JOB 12
+COORDS  2.8875900000e-01 -1.0717900000e-01  1.3752630000e+00  1.9739400000e-01  7.8241800000e-01  1.7165850000e+00  2.1329400000e-01 -8.9810000000e-03  4.2610800000e-01 -2.7567600000e-01  1.0279200000e-01 -1.3053980000e+00  3.5993500000e-01 -1.2462200000e-01 -1.9840100000e+00 -9.2327400000e-01 -6.0135200000e-01 -1.3374820000e+00
+ENERGY -1.526614317572e+02
+FORCES -2.1990000000e-03  4.4945000000e-03 -1.3463100000e-02  2.0160000000e-04 -2.3324000000e-03 -1.4873000000e-03  8.8700000000e-04 -2.9571000000e-03  1.0120200000e-02  4.5000000000e-06 -3.3455000000e-03  5.2850000000e-04 -3.7201000000e-03  4.9970000000e-04  3.7096000000e-03  4.8260000000e-03  3.6409000000e-03  5.9220000000e-04
+
+JOB 13
+COORDS -9.8135500000e-01 -1.0433860000e+00  9.3122000000e-02 -2.2698700000e-01 -4.6739700000e-01 -3.0958000000e-02 -1.7172630000e+00 -4.4788700000e-01  2.3473100000e-01  9.7668200000e-01  9.0712400000e-01 -1.1936500000e-01  9.9710500000e-01  1.1921810000e+00  7.9417600000e-01  1.0934370000e+00  1.7117560000e+00 -6.2450500000e-01
+ENERGY -1.526598558201e+02
+FORCES  7.1003000000e-03  1.1114800000e-02 -2.9584000000e-03 -4.8682000000e-03 -6.4128000000e-03  4.3906000000e-03  1.9583000000e-03 -1.4714000000e-03  1.6470000000e-04 -2.3733000000e-03  1.2110000000e-03 -2.8210000000e-04 -1.5934000000e-03 -1.5981000000e-03 -5.3836000000e-03 -2.2370000000e-04 -2.8434000000e-03  4.0688000000e-03
+
+JOB 14
+COORDS  2.3797800000e-01  1.1645090000e+00 -6.1869200000e-01  1.1236280000e+00  1.4349050000e+00 -8.6105700000e-01 -5.0320000000e-02  1.8244370000e+00  1.1872000000e-02 -2.3107100000e-01 -1.2763300000e+00  5.8959800000e-01 -1.8217400000e-01 -4.4306700000e-01  1.2107400000e-01 -9.8303700000e-01 -1.1793620000e+00  1.1738730000e+00
+ENERGY -1.526601247924e+02
+FORCES  3.8864000000e-03 -9.3250000000e-04  2.9536000000e-03 -4.8039000000e-03  3.4330000000e-04  1.4796000000e-03  1.2956000000e-03 -4.4226000000e-03 -2.6423000000e-03  8.5530000000e-04  1.1498200000e-02 -5.8820000000e-03 -3.6856000000e-03 -8.0635000000e-03  6.0525000000e-03  2.4522000000e-03  1.5771000000e-03 -1.9614000000e-03
+
+JOB 15
+COORDS  2.1197900000e-01  1.0578230000e+00 -9.4961800000e-01 -6.9376100000e-01  1.0318210000e+00 -1.2581510000e+00  1.9750400000e-01  5.7701800000e-01 -1.2206200000e-01 -1.2517900000e-01 -9.7218100000e-01  9.0727700000e-01 -1.0729360000e+00 -1.1059040000e+00  9.1759400000e-01  2.4008700000e-01 -1.8249570000e+00  1.1430430000e+00
+ENERGY -1.526580639712e+02
+FORCES -2.6864000000e-03 -9.9559000000e-03  7.4692000000e-03  2.0811000000e-03 -2.2650000000e-04  1.3300000000e-03 -1.2738000000e-03  7.1634000000e-03 -3.9544000000e-03  6.3090000000e-04 -1.3886000000e-03 -3.3840000000e-03  4.6752000000e-03  1.2602000000e-03 -8.2290000000e-04 -3.4269000000e-03  3.1473000000e-03 -6.3800000000e-04
+
+JOB 16
+COORDS  2.6059200000e-01  1.2914590000e+00 -2.7797200000e-01  6.7719400000e-01  1.3952760000e+00 -1.1334820000e+00 -3.4560800000e-01  2.0295630000e+00 -2.1508600000e-01 -2.8605600000e-01 -1.3511610000e+00  3.8046700000e-01  9.1303000000e-02 -2.0036950000e+00 -2.0947500000e-01 -9.7710000000e-03 -5.1014600000e-01  1.6335000000e-02
+ENERGY -1.526598563198e+02
+FORCES -3.6735000000e-03  9.9780000000e-04 -4.5800000000e-05 -2.7562000000e-03 -2.0483000000e-03  4.2877000000e-03  4.1460000000e-03 -2.3833000000e-03 -1.5596000000e-03  2.7555000000e-03  1.0501200000e-02 -3.1750000000e-03 -5.3090000000e-04  3.6858000000e-03  7.9840000000e-04  5.9000000000e-05 -1.0753300000e-02 -3.0580000000e-04
+
+JOB 17
+COORDS -2.2619100000e-01 -1.4677500000e-01 -1.3390290000e+00 -6.9973700000e-01 -9.7619100000e-01 -1.2753530000e+00  4.1576300000e-01 -2.8972400000e-01 -2.0345090000e+00  2.6703900000e-01  1.5714400000e-01  1.3602970000e+00 -4.2648100000e-01  4.6487300000e-01  7.7671800000e-01  1.1208000000e-01  6.2141500000e-01  2.1828970000e+00
+ENERGY -1.526561621896e+02
+FORCES  4.9184000000e-03 -3.8583000000e-03  9.9130000000e-04  1.1046000000e-03  4.4820000000e-03  9.0200000000e-05 -3.2052000000e-03 -2.1320000000e-04  1.9026000000e-03 -2.6962000000e-03  2.3848000000e-03 -5.9034000000e-03 -4.7060000000e-04 -1.3590000000e-03  7.4290000000e-03  3.4900000000e-04 -1.4363000000e-03 -4.5096000000e-03
+
+JOB 18
+COORDS -3.3451100000e-01  1.2228260000e+00 -7.5305200000e-01 -3.5430900000e-01  4.0400300000e-01 -1.2484000000e+00  2.8214900000e-01  1.0570780000e+00 -3.9967000000e-02  2.6551800000e-01 -1.1211940000e+00  6.9657700000e-01 -9.5394000000e-02 -1.6791650000e+00  1.3855210000e+00  1.2130770000e+00 -1.2383830000e+00  7.6462500000e-01
+ENERGY -1.526562600632e+02
+FORCES  1.6551000000e-03 -1.2037100000e-02  6.2262000000e-03 -1.0750000000e-04  4.1331000000e-03 -2.0801000000e-03  1.6107000000e-03  4.5011000000e-03 -2.5058000000e-03 -5.2160000000e-04 -1.7658000000e-03  2.5782000000e-03  2.2864000000e-03  2.3734000000e-03 -3.3227000000e-03 -4.9230000000e-03  2.7953000000e-03 -8.9580000000e-04
+
+JOB 19
+COORDS -6.2457700000e-01 -9.9926200000e-01  8.3338700000e-01 -1.0342090000e+00 -6.3422400000e-01  1.6177220000e+00 -1.1981900000e-01 -2.7349800000e-01  4.6634700000e-01  5.9430800000e-01  9.7140900000e-01 -7.9940700000e-01  1.7190300000e-01  8.4008800000e-01 -1.6482650000e+00  1.4479530000e+00  5.4753200000e-01 -8.8800100000e-01
+ENERGY -1.526612679991e+02
+FORCES  3.3559000000e-03  1.0105400000e-02 -4.1068000000e-03  1.5837000000e-03 -3.4620000000e-04 -2.8113000000e-03 -1.7019000000e-03 -8.9814000000e-03  6.2571000000e-03 -5.1730000000e-04 -2.4901000000e-03 -5.2416000000e-03  3.1388000000e-03  8.5410000000e-04  4.0322000000e-03 -5.8592000000e-03  8.5810000000e-04  1.8703000000e-03
+
+JOB 20
+COORDS  5.4028800000e-01 -8.4898500000e-01  9.3115700000e-01  1.2306700000e+00 -4.6910600000e-01  1.4745690000e+00  1.8799000000e-02 -1.3742160000e+00  1.5381280000e+00 -5.9038100000e-01  9.0872200000e-01 -9.9708000000e-01 -4.5161300000e-01  3.0390800000e-01 -2.6826200000e-01 -2.5487000000e-02  5.7708600000e-01 -1.6950360000e+00
+ENERGY -1.526611396952e+02
+FORCES  1.7488000000e-03  1.4119000000e-03  2.9432000000e-03 -3.5322000000e-03 -2.9448000000e-03 -1.9853000000e-03  2.4672000000e-03  3.4913000000e-03 -2.9861000000e-03  6.4595000000e-03 -9.0303000000e-03  5.8830000000e-03 -5.5756000000e-03  5.4066000000e-03 -5.1888000000e-03 -1.5677000000e-03  1.6653000000e-03  1.3339000000e-03
+
+JOB 21
+COORDS -8.8639000000e-01  4.8938000000e-02 -1.1191670000e+00 -4.8280000000e-01  8.6279500000e-01 -1.4208020000e+00 -1.5016760000e+00  3.2375300000e-01 -4.3936400000e-01  9.1511800000e-01 -1.7772200000e-01  1.1325020000e+00  6.5613900000e-01 -8.0385000000e-02  2.1615800000e-01  9.5724600000e-01  7.1833900000e-01  1.4664660000e+00
+ENERGY -1.526569736041e+02
+FORCES -4.5880000000e-03  3.2540000000e-03  2.7459000000e-03  9.1440000000e-04 -5.1709000000e-03  4.8105000000e-03  4.0981000000e-03 -3.0940000000e-04 -3.8520000000e-03 -4.5411000000e-03  1.6795000000e-03 -8.0526000000e-03  5.6830000000e-03  3.3944000000e-03  6.6250000000e-03 -1.5665000000e-03 -2.8476000000e-03 -2.2768000000e-03
+
+JOB 22
+COORDS  7.3361700000e-01 -3.6424000000e-02  1.1985170000e+00  1.5290310000e+00 -4.9447100000e-01  9.2696300000e-01  3.2975700000e-01 -6.1806600000e-01  1.8425830000e+00 -7.8209000000e-01  4.6949000000e-02 -1.2573720000e+00 -2.4971400000e-01 -7.4873000000e-02 -4.7126300000e-01 -8.5328800000e-01  9.9657300000e-01 -1.3542110000e+00
+ENERGY -1.526615067496e+02
+FORCES  1.4149000000e-03 -3.2110000000e-03  3.2131000000e-03 -5.6788000000e-03  2.0687000000e-03  2.2430000000e-04  2.5203000000e-03  2.6242000000e-03 -3.9473000000e-03  5.3974000000e-03  3.4880000000e-03  1.0204600000e-02 -3.7597000000e-03 -2.2308000000e-03 -9.5655000000e-03  1.0600000000e-04 -2.7391000000e-03 -1.2920000000e-04
+
+JOB 23
+COORDS  4.7317000000e-01  1.1247890000e+00  7.4348100000e-01  4.7356000000e-01  6.1187000000e-01  1.5516550000e+00 -3.1132600000e-01  1.6697250000e+00  8.0547100000e-01 -4.8561100000e-01 -1.1460430000e+00 -8.2994200000e-01  3.5353400000e-01 -1.6056400000e+00 -8.0096400000e-01 -3.5485300000e-01 -3.7287100000e-01 -2.8099900000e-01
+ENERGY -1.526592839796e+02
+FORCES -1.0358000000e-03  2.7779000000e-03  4.4538000000e-03 -1.0688000000e-03  9.8140000000e-04 -6.3556000000e-03  3.5388000000e-03 -5.0910000000e-03 -1.0901000000e-03  7.7033000000e-03  8.1646000000e-03  4.3279000000e-03 -2.8677000000e-03  5.3370000000e-04  3.9290000000e-04 -6.2697000000e-03 -7.3666000000e-03 -1.7289000000e-03
+
+JOB 24
+COORDS  1.2141400000e+00 -4.9243400000e-01 -5.1948200000e-01  1.8982910000e+00  4.1317000000e-02 -1.1540300000e-01  1.2557390000e+00 -2.7171400000e-01 -1.4499570000e+00 -1.3140640000e+00  4.5283600000e-01  5.1960100000e-01 -1.1736900000e+00  5.3865900000e-01  1.4625550000e+00 -4.3947800000e-01  3.0666300000e-01  1.5909600000e-01
+ENERGY -1.526601087894e+02
+FORCES  3.7707000000e-03  5.4420000000e-04 -3.2194000000e-03 -5.3840000000e-03 -1.8688000000e-03 -1.5022000000e-03 -5.9000000000e-04 -2.4900000000e-04  5.6736000000e-03  1.0079000000e-02 -4.8286000000e-03 -1.1740000000e-03  3.7280000000e-04  2.0600000000e-05 -2.9672000000e-03 -8.2485000000e-03  6.3816000000e-03  3.1894000000e-03
+
+JOB 25
+COORDS  8.7750200000e-01  9.9425200000e-01  7.1616600000e-01  1.3902090000e+00  5.9052400000e-01  1.5905000000e-02 -1.9180000000e-03  6.3170000000e-01  6.0935400000e-01 -9.1250000000e-01 -9.2662900000e-01 -6.3730800000e-01 -2.5205400000e-01 -1.5339050000e+00 -3.0375400000e-01 -6.2382000000e-01 -7.2304500000e-01 -1.5269420000e+00
+ENERGY -1.526573984200e+02
+FORCES -6.4733000000e-03 -5.8750000000e-03 -6.3275000000e-03 -4.9880000000e-04  4.1100000000e-04  1.8331000000e-03  5.5455000000e-03  3.5525000000e-03  4.1003000000e-03  3.7342000000e-03 -2.5250000000e-03 -3.1950000000e-03 -2.2649000000e-03  5.0363000000e-03 -1.4942000000e-03 -4.2700000000e-05 -5.9980000000e-04  5.0832000000e-03
+
+JOB 26
+COORDS -6.6587700000e-01 -2.9492600000e-01 -1.1789270000e+00 -1.6499800000e-01 -4.4587100000e-01 -1.9805300000e+00 -1.4355870000e+00 -8.5701100000e-01 -1.2674650000e+00  7.5536900000e-01  3.2858500000e-01  1.2537350000e+00  2.7362600000e-01  5.6208000000e-02  4.7273100000e-01  1.0892000000e-01  7.9441100000e-01  1.7841520000e+00
+ENERGY -1.526617588303e+02
+FORCES  5.7000000000e-05 -2.3750000000e-03 -2.4953000000e-03 -3.3853000000e-03  2.6600000000e-05  3.5824000000e-03  3.7453000000e-03  2.7962000000e-03 -3.9150000000e-04 -7.2653000000e-03 -6.6210000000e-04 -7.6382000000e-03  5.3288000000e-03  1.9203000000e-03  8.4557000000e-03  1.5197000000e-03 -1.7060000000e-03 -1.5131000000e-03
+
+JOB 27
+COORDS -1.3318830000e+00  2.7339300000e-01  6.9759200000e-01 -1.0750600000e+00 -2.6896300000e-01 -4.8145000000e-02 -5.0725500000e-01  4.8747500000e-01  1.1339270000e+00  1.2927510000e+00 -2.2681500000e-01 -6.2602300000e-01  1.0011480000e+00  2.3168400000e-01 -1.4140450000e+00  1.1273450000e+00 -1.1512550000e+00 -8.1117800000e-01
+ENERGY -1.526561823310e+02
+FORCES  1.1241900000e-02 -1.5722000000e-03 -2.7169000000e-03 -3.7479000000e-03 -3.1820000000e-04 -4.5620000000e-04 -5.1783000000e-03  6.6320000000e-04  1.5439000000e-03 -5.3380000000e-04 -8.1330000000e-04 -4.1755000000e-03  9.5000000000e-06 -3.1107000000e-03  4.3401000000e-03 -1.7914000000e-03  5.1512000000e-03  1.4647000000e-03
+
+JOB 28
+COORDS  2.6855900000e-01  3.4286500000e-01  1.3501180000e+00 -3.9985300000e-01  5.7766500000e-01  1.9938000000e+00  6.7843100000e-01 -4.4536600000e-01  1.7063880000e+00 -2.6437800000e-01 -2.7894600000e-01 -1.4622460000e+00 -1.1926600000e-01 -1.2221160000e+00 -1.3873760000e+00 -2.4099400000e-01  3.9831000000e-02 -5.5998900000e-01
+ENERGY -1.526604619383e+02
+FORCES  7.4700000000e-05 -1.9476000000e-03  4.3485000000e-03  3.4550000000e-03 -1.8247000000e-03 -3.2048000000e-03 -2.9130000000e-03  3.4959000000e-03 -2.0267000000e-03  2.0596000000e-03  1.9900000000e-04  1.0312500000e-02 -1.4350000000e-04  2.5622000000e-03  3.6300000000e-05 -2.5328000000e-03 -2.4849000000e-03 -9.4657000000e-03
+
+JOB 29
+COORDS -5.8545700000e-01  2.0101600000e-01 -1.2705020000e+00 -7.6942900000e-01  8.8724200000e-01 -1.9119690000e+00  8.6468000000e-02 -3.4060000000e-01 -1.6845070000e+00  5.8537600000e-01 -1.7892000000e-01  1.3889320000e+00  3.2402700000e-01 -1.0967810000e+00  1.3150350000e+00  3.2617500000e-01  2.1232300000e-01  5.5468100000e-01
+ENERGY -1.526599100127e+02
+FORCES  3.5330000000e-04  8.4770000000e-04 -4.8794000000e-03  1.3450000000e-03 -3.8569000000e-03  2.5475000000e-03 -3.0024000000e-03  3.1129000000e-03  3.8571000000e-03 -6.6987000000e-03 -1.2850000000e-04 -8.0922000000e-03  1.9233000000e-03  2.2543000000e-03  1.5720000000e-04  6.0795000000e-03 -2.2295000000e-03  6.4098000000e-03
+
+JOB 30
+COORDS  8.0557000000e-02  5.2506700000e-01  1.4004050000e+00 -8.8989000000e-02  2.0707400000e-01  5.1363200000e-01 -7.7459500000e-01  8.1326300000e-01  1.7196060000e+00  1.8509000000e-02 -4.8185500000e-01 -1.3227540000e+00  3.4474000000e-01 -1.3048450000e+00 -1.6867480000e+00 -8.6082600000e-01 -3.8914900000e-01 -1.6893700000e+00
+ENERGY -1.526602693516e+02
+FORCES -1.4903000000e-03 -2.9299000000e-03 -8.1937000000e-03 -2.6677000000e-03  4.6448000000e-03  9.3727000000e-03  2.2695000000e-03 -1.2978000000e-03 -2.3474000000e-03  3.6620000000e-04 -4.0567000000e-03 -2.5473000000e-03 -2.5433000000e-03  4.0833000000e-03  2.5230000000e-04  4.0656000000e-03 -4.4370000000e-04  3.4634000000e-03
+
+JOB 31
+COORDS  6.9869000000e-02 -1.0457480000e+00 -9.4160600000e-01 -1.6707800000e-01 -1.8977820000e+00 -5.7537200000e-01 -2.2004400000e-01 -1.0872230000e+00 -1.8529030000e+00 -8.9239000000e-02  1.0790770000e+00  1.0178340000e+00  4.0334200000e-01  1.8997760000e+00  1.0247430000e+00  2.7855600000e-01  5.8459100000e-01  2.8541200000e-01
+ENERGY -1.526606632959e+02
+FORCES -3.7606000000e-03 -2.9111000000e-03 -2.6610000000e-04  1.0541000000e-03  3.1630000000e-03 -3.1135000000e-03  1.2958000000e-03 -6.3550000000e-04  3.9503000000e-03  2.2482000000e-03 -3.9263000000e-03 -5.9738000000e-03 -1.4474000000e-03 -3.2214000000e-03 -1.2576000000e-03  6.0990000000e-04  7.5312000000e-03  6.6607000000e-03
+
+JOB 32
+COORDS  3.6723600000e-01  1.1788850000e+00 -9.2781200000e-01  4.2784000000e-01  7.0432400000e-01 -9.8745000000e-02  2.9384000000e-01  4.9342700000e-01 -1.5918840000e+00 -3.0508600000e-01 -1.0995160000e+00  9.2594800000e-01 -7.7369000000e-01 -1.6853300000e+00  3.3142100000e-01 -9.9559000000e-01 -6.3493800000e-01  1.3988160000e+00
+ENERGY -1.526588537730e+02
+FORCES -2.7080000000e-04 -9.9893000000e-03  4.0323000000e-03  2.3340000000e-04  7.4747000000e-03 -3.0781000000e-03 -3.3660000000e-04  2.5911000000e-03  6.8550000000e-04 -6.1771000000e-03 -1.6157000000e-03 -1.1283000000e-03  2.2966000000e-03  2.9210000000e-03  2.4224000000e-03  4.2545000000e-03 -1.3818000000e-03 -2.9339000000e-03
+
+JOB 33
+COORDS  2.3209100000e-01 -1.3956200000e+00 -4.9874200000e-01  3.5647900000e-01 -4.6219700000e-01 -6.7044300000e-01 -4.4288000000e-02 -1.7595990000e+00 -1.3397930000e+00 -1.7329700000e-01  1.3314440000e+00  5.2429900000e-01 -2.2179800000e-01  2.2470980000e+00  7.9899500000e-01 -1.0097050000e+00  9.5439000000e-01  7.9721500000e-01
+ENERGY -1.526598983478e+02
+FORCES  1.2079000000e-03  5.3086000000e-03 -2.4292000000e-03 -1.4555000000e-03 -8.2124000000e-03 -1.8641000000e-03  6.3520000000e-04  2.0438000000e-03  3.1759000000e-03 -3.2847000000e-03  1.4859000000e-03  3.6304000000e-03 -7.1970000000e-04 -4.1354000000e-03 -5.4630000000e-04  3.6169000000e-03  3.5096000000e-03 -1.9668000000e-03
+
+JOB 34
+COORDS  6.7684500000e-01  1.2551410000e+00 -1.5460900000e-01  1.2880050000e+00  1.9033970000e+00 -5.0458000000e-01  1.8291000000e-01  1.7280470000e+00  5.1518100000e-01 -7.0713200000e-01 -1.3648900000e+00  9.5664000000e-02 -2.0998300000e-01 -5.7721600000e-01 -1.2489300000e-01 -7.7928200000e-01 -1.3437910000e+00  1.0499070000e+00
+ENERGY -1.526601445418e+02
+FORCES  1.4188000000e-03  4.2889000000e-03 -3.8450000000e-04 -3.2257000000e-03 -1.5885000000e-03  2.6783000000e-03  2.5644000000e-03 -3.1019000000e-03 -2.9108000000e-03  5.2209000000e-03  6.5602000000e-03  9.7090000000e-04 -5.7186000000e-03 -6.7688000000e-03  2.5034000000e-03 -2.5970000000e-04  6.1010000000e-04 -2.8573000000e-03
+
+JOB 35
+COORDS -6.0192600000e-01 -2.6810000000e-01  1.3954950000e+00 -1.2763670000e+00 -8.7008800000e-01  1.0808980000e+00 -6.3410000000e-02 -8.7225000000e-02  6.2509400000e-01  5.6789000000e-01  2.4504900000e-01 -1.3655650000e+00  1.5138420000e+00  1.8506000000e-01 -1.2321230000e+00  3.1759300000e-01  1.0667950000e+00 -9.4329000000e-01
+ENERGY -1.526579604520e+02
+FORCES  6.6880000000e-04 -3.7321000000e-03 -9.3107000000e-03  1.7091000000e-03  2.1489000000e-03  2.1589000000e-03 -1.3255000000e-03  5.0029000000e-03  6.6794000000e-03  3.6954000000e-03  4.4600000000e-03 -2.1312000000e-03 -5.7214000000e-03  9.8300000000e-05  8.3040000000e-04  9.7350000000e-04 -7.9779000000e-03  1.7732000000e-03
+
+JOB 36
+COORDS  4.7271100000e-01  8.2264400000e-01  1.1624610000e+00  1.3359400000e+00  1.0351610000e+00  8.0763000000e-01 -1.3248200000e-01  1.3764520000e+00  6.6923700000e-01 -5.2113500000e-01 -9.2484500000e-01 -1.1218160000e+00 -5.2332700000e-01 -1.7234700000e-01 -1.7134020000e+00  1.0867000000e-02 -6.4341500000e-01 -3.7750200000e-01
+ENERGY -1.526574878207e+02
+FORCES  1.5010000000e-04  6.2455000000e-03 -3.6660000000e-04 -5.3877000000e-03 -2.7361000000e-03 -2.8800000000e-05  3.9432000000e-03 -4.2321000000e-03  5.7630000000e-04  3.5432000000e-03  4.9160000000e-03  5.2185000000e-03 -2.2900000000e-05 -1.6520000000e-03  2.9349000000e-03 -2.2259000000e-03 -2.5413000000e-03 -8.3344000000e-03
+
+JOB 37
+COORDS -3.5042000000e-01  3.9811100000e-01  1.3807440000e+00 -4.5829400000e-01 -5.3471700000e-01  1.5662890000e+00 -1.2360790000e+00  7.5732300000e-01  1.4337090000e+00  4.4155900000e-01 -4.1978900000e-01 -1.4116160000e+00  5.2265000000e-01  1.0859800000e-01 -6.1759900000e-01 -2.7963900000e-01 -1.7065000000e-02 -1.8952670000e+00
+ENERGY -1.526598979210e+02
+FORCES -5.1185000000e-03 -3.8131000000e-03  1.4171000000e-03  4.3070000000e-04  5.0934000000e-03 -6.3510000000e-04  3.8526000000e-03 -1.8555000000e-03 -6.2620000000e-04 -3.6363000000e-03  5.9123000000e-03  6.0323000000e-03  2.4440000000e-03 -3.7301000000e-03 -7.5431000000e-03  2.0276000000e-03 -1.6070000000e-03  1.3549000000e-03
+
+JOB 38
+COORDS -9.2779000000e-02 -6.7991200000e-01 -1.2833980000e+00  2.1190900000e-01 -1.0439110000e+00 -2.1146030000e+00 -6.4906700000e-01  5.7655000000e-02 -1.5339400000e+00  1.0675700000e-01  7.2104400000e-01  1.3678480000e+00 -3.7221000000e-02 -8.9785000000e-02  1.8557610000e+00  2.6172200000e-01  4.3511100000e-01  4.6759200000e-01
+ENERGY -1.526598339086e+02
+FORCES -8.7870000000e-04 -2.5300000000e-04 -5.4979000000e-03 -2.5617000000e-03  1.7883000000e-03  3.2789000000e-03  4.7386000000e-03 -3.0319000000e-03  2.7577000000e-03  9.9160000000e-04 -8.0207000000e-03 -4.6977000000e-03  3.9030000000e-04  3.1703000000e-03 -3.3640000000e-04 -2.6801000000e-03  6.3470000000e-03  4.4952000000e-03
+
+JOB 39
+COORDS  1.5832300000e-01 -1.3343790000e+00 -5.6135300000e-01  7.3671700000e-01 -1.7527710000e+00 -1.1990370000e+00 -6.8567900000e-01 -1.7697920000e+00 -6.8096700000e-01 -1.9096600000e-01  1.4119930000e+00  5.6854300000e-01  1.6774400000e-01  1.5877870000e+00  1.4384020000e+00  2.9017500000e-01  6.4365000000e-01  2.6132500000e-01
+ENERGY -1.526606080173e+02
+FORCES -3.5919000000e-03 -3.2868000000e-03 -2.9177000000e-03 -2.8417000000e-03  1.7635000000e-03  2.8668000000e-03  4.6153000000e-03  4.0320000000e-04 -2.6990000000e-04  3.0393000000e-03 -6.6215000000e-03 -4.0010000000e-04 -1.0199000000e-03 -1.1106000000e-03 -3.0062000000e-03 -2.0120000000e-04  8.8522000000e-03  3.7272000000e-03
+
+JOB 40
+COORDS -3.3674000000e-01  1.1867330000e+00  9.5474900000e-01  7.0244000000e-02  4.4076000000e-01  5.1415800000e-01 -2.8666900000e-01  9.7186700000e-01  1.8861760000e+00  3.1562700000e-01 -1.1765850000e+00 -9.3393700000e-01 -4.5865500000e-01 -1.0419510000e+00 -1.4803730000e+00  9.2995400000e-01 -4.9937700000e-01 -1.2171760000e+00
+ENERGY -1.526591310430e+02
+FORCES  1.4097000000e-03 -7.7476000000e-03  5.7480000000e-04  7.1820000000e-04  8.8588000000e-03  1.8788000000e-03 -1.0190000000e-04  7.2400000000e-04 -3.3328000000e-03 -1.9206000000e-03  6.8600000000e-04 -7.0237000000e-03  4.3776000000e-03 -6.7310000000e-04  2.6886000000e-03 -4.4829000000e-03 -1.8482000000e-03  5.2143000000e-03
+
+JOB 41
+COORDS  4.1712100000e-01 -1.3601890000e+00 -4.0974400000e-01 -2.3750100000e-01 -1.8645640000e+00  7.3276000000e-02  6.9990400000e-01 -1.9450200000e+00 -1.1127650000e+00 -3.9792800000e-01  1.4653280000e+00  4.8181600000e-01  2.4143400000e-01  7.8636700000e-01  2.6627100000e-01 -1.0122110000e+00  1.4582410000e+00 -2.5224000000e-01
+ENERGY -1.526601843545e+02
+FORCES -1.4500000000e-03 -5.1056000000e-03 -5.4530000000e-04  3.2058000000e-03  1.8119000000e-03 -3.0270000000e-03 -2.0585000000e-03  2.0749000000e-03  3.2258000000e-03  1.7227000000e-03 -6.4722000000e-03 -5.7541000000e-03 -2.4046000000e-03  6.6881000000e-03  3.3478000000e-03  9.8440000000e-04  1.0029000000e-03  2.7527000000e-03
+
+JOB 42
+COORDS -3.6024000000e-02  6.3750700000e-01 -1.3372960000e+00 -3.3798600000e-01  1.3059620000e+00 -1.9522900000e+00  8.0036700000e-01  3.4130600000e-01 -1.6963880000e+00 -4.6885000000e-02 -6.7893600000e-01  1.4324680000e+00  8.9313400000e-01 -7.0595900000e-01  1.6109780000e+00 -1.1315000000e-01 -3.1491600000e-01  5.4967100000e-01
+ENERGY -1.526598825577e+02
+FORCES  1.6690000000e-04  3.2064000000e-03 -4.7120000000e-03  2.5842000000e-03 -3.1911000000e-03  1.5342000000e-03 -3.8051000000e-03  1.3212000000e-03  2.7914000000e-03  1.7410000000e-03  4.1100000000e-03 -6.0184000000e-03 -2.8040000000e-03 -1.3100000000e-04 -1.1080000000e-03  2.1170000000e-03 -5.3155000000e-03  7.5129000000e-03
+
+JOB 43
+COORDS  1.4310990000e+00 -6.1031100000e-01 -4.4547800000e-01  7.1412900000e-01 -1.1803100000e-01 -4.5671000000e-02  1.0038970000e+00 -1.3541460000e+00 -8.7026000000e-01 -1.3579390000e+00  6.9295300000e-01  4.4672200000e-01 -1.2541960000e+00  9.2766000000e-02  1.1851290000e+00 -1.6879130000e+00  1.4374500000e-01 -2.6441800000e-01
+ENERGY -1.526572016573e+02
+FORCES -6.2772000000e-03  2.1683000000e-03  1.1810000000e-04  5.7327000000e-03 -6.5219000000e-03 -1.1102000000e-03  6.7890000000e-04  2.8242000000e-03  1.8794000000e-03 -5.9378000000e-03 -3.0381000000e-03  9.2980000000e-04  2.0354000000e-03  2.6663000000e-03 -5.4437000000e-03  3.7680000000e-03  1.9012000000e-03  3.6267000000e-03
+
+JOB 44
+COORDS  1.3027510000e+00 -5.4628700000e-01  8.3473300000e-01  7.3550500000e-01 -1.1558700000e-01  1.9523200000e-01  1.2061810000e+00 -2.4233000000e-02  1.6312030000e+00 -1.2022850000e+00  4.6922500000e-01 -8.4216900000e-01 -1.9724260000e+00 -2.5524000000e-02 -5.6228000000e-01 -1.5488100000e+00  1.3189810000e+00 -1.1143220000e+00
+ENERGY -1.526604787329e+02
+FORCES -5.3823000000e-03  4.8440000000e-03 -1.8273000000e-03  7.0159000000e-03 -3.1305000000e-03  4.8897000000e-03  4.7580000000e-04 -1.8749000000e-03 -2.2829000000e-03 -6.1215000000e-03  9.5980000000e-04 -8.6920000000e-04  3.0080000000e-03  3.1551000000e-03 -1.4862000000e-03  1.0040000000e-03 -3.9534000000e-03  1.5759000000e-03
+
+JOB 45
+COORDS  1.5333000000e-02  6.0356800000e-01 -1.5251900000e+00 -2.0682700000e-01  1.2422600000e-01 -7.2699900000e-01 -3.7473900000e-01  8.8077000000e-02 -2.2311250000e+00 -2.8627000000e-02 -5.8273000000e-01  1.4776100000e+00 -2.0565100000e-01  6.4150000000e-02  2.1605750000e+00  9.2137400000e-01 -6.9829500000e-01  1.4969580000e+00
+ENERGY -1.526608672988e+02
+FORCES -2.9622000000e-03 -4.4287000000e-03  3.4481000000e-03  1.6024000000e-03  3.3798000000e-03 -8.9316000000e-03  1.3945000000e-03  1.5721000000e-03  2.7142000000e-03  3.6638000000e-03  2.0381000000e-03  6.0240000000e-03  1.1804000000e-03 -3.2443000000e-03 -2.8306000000e-03 -4.8790000000e-03  6.8310000000e-04 -4.2410000000e-04
+
+JOB 46
+COORDS -1.7805400000e-01  1.2402360000e+00  1.0157210000e+00 -3.4522700000e-01  1.7523190000e+00  1.8069580000e+00 -4.6192400000e-01  3.5381100000e-01  1.2391080000e+00  2.2190900000e-01 -1.2520120000e+00 -1.0163350000e+00 -6.5420600000e-01 -1.0114130000e+00 -1.3176090000e+00  8.0829100000e-01 -9.2704400000e-01 -1.6995510000e+00
+ENERGY -1.526560060502e+02
+FORCES -6.2190000000e-04 -3.4614000000e-03  3.5398000000e-03  8.2500000000e-04 -2.3539000000e-03 -3.3874000000e-03 -1.1176000000e-03  5.4936000000e-03  7.0970000000e-04  2.4910000000e-04  4.4864000000e-03 -4.7865000000e-03  3.1637000000e-03 -1.7519000000e-03  2.0662000000e-03 -2.4983000000e-03 -2.4128000000e-03  1.8583000000e-03
+
+JOB 47
+COORDS -3.6643000000e-02  1.3302380000e+00 -9.8322400000e-01  2.0671300000e-01  1.3541690000e+00 -1.9086630000e+00 -1.9103000000e-02  4.0095200000e-01 -7.5441800000e-01  5.0616000000e-02 -1.2099070000e+00  1.0314190000e+00  4.5165400000e-01 -2.0440810000e+00  1.2754570000e+00 -8.0556800000e-01 -1.4498330000e+00  6.7699300000e-01
+ENERGY -1.526570191498e+02
+FORCES  2.6473000000e-03 -4.7269000000e-03 -2.4580000000e-04 -9.3680000000e-04 -4.3970000000e-04  3.6033000000e-03 -3.4180000000e-03  5.2379000000e-03 -4.9503000000e-03 -1.2675000000e-03 -5.9413000000e-03  3.0957000000e-03 -2.3246000000e-03  3.6033000000e-03 -9.0340000000e-04  5.2996000000e-03  2.2667000000e-03 -5.9950000000e-04
+
+JOB 48
+COORDS -5.9410600000e-01  1.4030230000e+00 -6.0371400000e-01 -1.2776270000e+00  1.0648270000e+00 -2.5221000000e-02 -1.0713530000e+00  1.8094560000e+00 -1.3270950000e+00  6.7122800000e-01 -1.4697280000e+00  6.2657000000e-01 -1.0403600000e-01 -9.1672700000e-01  5.2968700000e-01  1.4086610000e+00 -8.7609900000e-01  4.8504400000e-01
+ENERGY -1.526553837648e+02
+FORCES -5.5948000000e-03  2.2701000000e-03 -2.4065000000e-03  4.7919000000e-03 -1.2867000000e-03 -2.0757000000e-03  1.9922000000e-03 -1.4954000000e-03  3.5062000000e-03  5.5790000000e-04  6.9900000000e-03 -3.3205000000e-03 -4.2500000000e-05 -2.7144000000e-03  2.6678000000e-03 -1.7048000000e-03 -3.7635000000e-03  1.6287000000e-03
+
+JOB 49
+COORDS -1.1296850000e+00 -6.7645000000e-01 -1.0619480000e+00 -3.6607100000e-01 -8.5714800000e-01 -1.6101040000e+00 -1.1410580000e+00 -1.3896390000e+00 -4.2362000000e-01  1.1376840000e+00  6.8912400000e-01  1.0622120000e+00  9.9913500000e-01  1.5901870000e+00  1.3539690000e+00  3.1866500000e-01  4.4846600000e-01  6.2917300000e-01
+ENERGY -1.526591036221e+02
+FORCES  1.4003000000e-03 -6.2823000000e-03 -3.2645000000e-03 -3.7796000000e-03  1.1786000000e-03  3.2806000000e-03  8.4110000000e-04  4.9352000000e-03 -2.0897000000e-03 -5.3167000000e-03  2.8586000000e-03 -1.8684000000e-03  5.3650000000e-04 -3.3527000000e-03 -1.0376000000e-03  6.3184000000e-03  6.6260000000e-04  4.9796000000e-03
+
+JOB 50
+COORDS  6.0929000000e-01 -8.3164900000e-01  1.3345430000e+00  1.3621090000e+00 -9.6828600000e-01  1.9097190000e+00  2.8586900000e-01 -1.7132500000e+00  1.1490410000e+00 -6.7662900000e-01  9.3583300000e-01 -1.3346560000e+00 -6.1951300000e-01  5.2988400000e-01 -2.1996270000e+00  1.5055000000e-02  5.1358100000e-01 -8.2523500000e-01
+ENERGY -1.526579040122e+02
+FORCES  1.5299000000e-03 -4.8813000000e-03  4.2540000000e-03 -3.4481000000e-03  1.6400000000e-04 -2.5126000000e-03  2.0939000000e-03  3.9781000000e-03  2.4660000000e-04  3.8316000000e-03 -3.3662000000e-03  9.5280000000e-04 -2.6510000000e-04  1.1396000000e-03  3.3584000000e-03 -3.7422000000e-03  2.9658000000e-03 -6.2993000000e-03
+
+JOB 51
+COORDS -1.3070490000e+00 -1.0714540000e+00  4.0124400000e-01 -4.2097600000e-01 -1.0516010000e+00  7.6278500000e-01 -1.4865660000e+00 -2.0005150000e+00  2.5684400000e-01  1.2624130000e+00  1.1090960000e+00 -4.7962000000e-01  7.7976100000e-01  1.7773870000e+00  6.8630000000e-03  1.8032240000e+00  6.7544200000e-01  1.8045500000e-01
+ENERGY -1.526533888757e+02
+FORCES  3.8889000000e-03 -3.0954000000e-03 -8.0520000000e-04 -3.6805000000e-03 -6.6550000000e-04  7.2920000000e-04  8.3450000000e-04  3.7894000000e-03  6.3510000000e-04 -5.3200000000e-04  2.4632000000e-03  3.5468000000e-03  2.9022000000e-03 -2.9179000000e-03 -1.7129000000e-03 -3.4132000000e-03  4.2610000000e-04 -2.3929000000e-03
+
+JOB 52
+COORDS  2.3568300000e-01  8.6925400000e-01 -1.5774270000e+00 -4.6675200000e-01  3.4314200000e-01 -1.1952970000e+00  8.6273100000e-01  9.8697300000e-01 -8.6385500000e-01 -1.8297200000e-01 -8.5382200000e-01  1.4727590000e+00 -4.5164100000e-01 -8.2636000000e-02  1.9720800000e+00 -7.8444700000e-01 -1.5433060000e+00  1.7539560000e+00
+ENERGY -1.526572431240e+02
+FORCES  1.9380000000e-04 -4.1049000000e-03  6.2041000000e-03  1.2337000000e-03  3.5765000000e-03 -3.6337000000e-03 -1.8593000000e-03  1.6041000000e-03 -3.3271000000e-03 -3.2774000000e-03 -1.3302000000e-03  5.2740000000e-03  1.3194000000e-03 -3.1051000000e-03 -3.2227000000e-03  2.3899000000e-03  3.3596000000e-03 -1.2946000000e-03
+
+JOB 53
+COORDS -1.4461990000e+00  3.1127800000e-01  1.0118440000e+00 -1.0707910000e+00 -4.7280800000e-01  1.4124810000e+00 -7.3560000000e-01  9.5240200000e-01  1.0273580000e+00  1.3982520000e+00 -3.1397000000e-01 -1.0980990000e+00  1.3895110000e+00 -9.3136800000e-01 -3.6667900000e-01  1.1803220000e+00  5.2993700000e-01 -7.0242100000e-01
+ENERGY -1.526516723536e+02
+FORCES  3.3774000000e-03 -9.1700000000e-04  1.6967000000e-03 -7.9730000000e-04  3.4738000000e-03 -1.9148000000e-03 -1.6161000000e-03 -3.0441000000e-03 -1.0951000000e-03 -2.4083000000e-03  6.8230000000e-04  3.9035000000e-03  1.8550000000e-04  2.7213000000e-03 -2.2996000000e-03  1.2588000000e-03 -2.9163000000e-03 -2.9080000000e-04
+
+JOB 54
+COORDS -1.5039730000e+00  1.9576600000e-01  8.7459200000e-01 -2.3910590000e+00  2.2523900000e-01  1.2329800000e+00 -1.2510960000e+00  1.1145030000e+00  7.8399100000e-01  1.5162510000e+00 -3.0098100000e-01 -9.1999700000e-01  2.4288040000e+00 -1.2088000000e-02 -9.2451200000e-01  1.0631110000e+00  3.4373000000e-01 -3.7663400000e-01
+ENERGY -1.526533754020e+02
+FORCES -4.7779000000e-03  3.1085000000e-03  1.4652000000e-03  3.7837000000e-03 -1.0800000000e-05 -1.4380000000e-03  1.1502000000e-03 -4.4307000000e-03 -2.2500000000e-04  7.6380000000e-04  2.9356000000e-03  3.0919000000e-03 -3.8876000000e-03 -1.1755000000e-03  2.4900000000e-05  2.9678000000e-03 -4.2710000000e-04 -2.9190000000e-03
+
+JOB 55
+COORDS -6.1566900000e-01 -1.6248960000e+00  6.2367100000e-01 -1.1575720000e+00 -2.0227270000e+00 -5.7727000000e-02 -4.9827500000e-01 -7.1876800000e-01  3.3839400000e-01  6.1505400000e-01  1.5742590000e+00 -5.0564400000e-01  5.9118400000e-01  1.0933380000e+00 -1.3329150000e+00  1.0436880000e+00  2.4023910000e+00 -7.2175400000e-01
+ENERGY -1.526563772640e+02
+FORCES -1.4360000000e-03  3.5449000000e-03 -2.5430000000e-03  2.4477000000e-03  1.7454000000e-03  2.2242000000e-03 -1.5473000000e-03 -6.7471000000e-03 -3.3170000000e-04  3.4828000000e-03  3.9111000000e-03 -4.0808000000e-03 -1.2235000000e-03  1.1153000000e-03  4.4879000000e-03 -1.7236000000e-03 -3.5696000000e-03  2.4340000000e-04
+
+JOB 56
+COORDS  1.1843390000e+00 -1.2203100000e+00 -5.1979700000e-01  2.0247410000e+00 -7.7394900000e-01 -4.1626300000e-01  1.2413380000e+00 -1.6435700000e+00 -1.3764380000e+00 -1.2004980000e+00  1.1764960000e+00  5.2096700000e-01 -1.8973890000e+00  1.7860530000e+00  2.7803600000e-01 -1.0584760000e+00  1.3340070000e+00  1.4543760000e+00
+ENERGY -1.526521837149e+02
+FORCES  2.7443000000e-03  1.3207000000e-03 -3.4197000000e-03 -3.0875000000e-03 -2.1546000000e-03 -6.9700000000e-05 -1.7990000000e-04  1.4931000000e-03  3.4895000000e-03 -2.0177000000e-03  2.3332000000e-03  3.2603000000e-03  3.0609000000e-03 -2.7579000000e-03  6.2810000000e-04 -5.2010000000e-04 -2.3450000000e-04 -3.8885000000e-03
+
+JOB 57
+COORDS  1.4339600000e-01  1.5003810000e+00 -1.1471320000e+00  5.5360800000e-01  1.4191990000e+00 -2.8610500000e-01 -6.4292200000e-01  9.5749200000e-01 -1.0904920000e+00 -9.2167000000e-02 -1.3958980000e+00  1.0952830000e+00  2.8858200000e-01 -2.2327860000e+00  1.3615150000e+00 -9.7495600000e-01 -1.6173460000e+00  7.9884200000e-01
+ENERGY -1.526560307578e+02
+FORCES -7.4250000000e-04 -4.3765000000e-03  5.1710000000e-03 -1.3335000000e-03  2.5068000000e-03 -4.1373000000e-03  1.7025000000e-03  2.5075000000e-03 -1.1685000000e-03 -1.3624000000e-03 -5.8922000000e-03  4.0140000000e-04 -1.9309000000e-03  3.4329000000e-03 -9.8170000000e-04  3.6668000000e-03  1.8215000000e-03  7.1500000000e-04
+
+JOB 58
+COORDS  4.2105000000e-01 -1.7875230000e+00  1.0685600000e-01  1.8136600000e-01 -1.3628820000e+00 -7.1683400000e-01  1.3470270000e+00 -2.0067640000e+00  3.2670000000e-03 -4.7960300000e-01  1.7611110000e+00  1.2268000000e-02  4.0481900000e-01  1.7203370000e+00 -3.5155700000e-01 -1.0287480000e+00  2.0358100000e+00 -7.2204300000e-01
+ENERGY -1.526529527783e+02
+FORCES  1.5777000000e-03  1.4253000000e-03 -3.3179000000e-03  1.9399000000e-03 -2.4528000000e-03  2.4598000000e-03 -3.7324000000e-03  1.4468000000e-03  3.9710000000e-04  1.6062000000e-03  1.6363000000e-03 -3.1435000000e-03 -3.8580000000e-03 -1.3590000000e-04  6.8140000000e-04  2.4667000000e-03 -1.9197000000e-03  2.9231000000e-03
+
+JOB 59
+COORDS -5.1480000000e-01 -1.2945810000e+00 -1.1037920000e+00 -9.6099000000e-02 -2.1474410000e+00 -1.2202010000e+00 -1.0347110000e+00 -1.1720600000e+00 -1.8980930000e+00  5.0084500000e-01  1.3116470000e+00  1.2137440000e+00  1.1901880000e+00  9.7416800000e-01  6.4177700000e-01  1.5085100000e-01  2.0699740000e+00  7.4611400000e-01
+ENERGY -1.526539320020e+02
+FORCES -1.4518000000e-03 -3.6749000000e-03 -3.3264000000e-03 -1.4285000000e-03  3.9206000000e-03  4.7330000000e-04  2.3762000000e-03 -2.1400000000e-04  3.3549000000e-03  2.6520000000e-04 -3.9580000000e-04 -5.8916000000e-03 -1.2040000000e-03  2.6275000000e-03  3.2757000000e-03  1.4429000000e-03 -2.2634000000e-03  2.1140000000e-03
+
+JOB 60
+COORDS  1.0826730000e+00 -6.3829400000e-01 -1.4059720000e+00  1.0221240000e+00  2.2870000000e-03 -2.1146480000e+00  1.0557960000e+00 -1.1398100000e-01 -6.0559400000e-01 -1.0517840000e+00  5.2463700000e-01  1.4517830000e+00 -1.3937750000e+00  2.7304200000e-01  5.9389400000e-01 -1.1348780000e+00  1.4779860000e+00  1.4730850000e+00
+ENERGY -1.526561613820e+02
+FORCES  1.2488000000e-03  4.3326000000e-03  1.2739000000e-03 -4.0310000000e-04 -2.4793000000e-03  3.1273000000e-03 -1.7240000000e-04 -2.1398000000e-03 -5.6284000000e-03 -4.2755000000e-03  2.2542000000e-03 -2.1435000000e-03  2.5889000000e-03  2.2277000000e-03  4.0089000000e-03  1.0133000000e-03 -4.1955000000e-03 -6.3820000000e-04
+
+JOB 61
+COORDS -5.7869000000e-02 -1.2999700000e+00 -1.3680470000e+00  5.9011700000e-01 -6.3060700000e-01 -1.1482770000e+00 -2.4279800000e-01 -1.1592600000e+00 -2.2966120000e+00  1.7152000000e-02  1.2804340000e+00  1.4697250000e+00  7.2737000000e-01  6.8564500000e-01  1.2287920000e+00 -4.5800800000e-01  1.4303420000e+00  6.5242300000e-01
+ENERGY -1.526531277560e+02
+FORCES  2.0313000000e-03  2.0772000000e-03 -4.2078000000e-03 -3.1550000000e-03 -1.8495000000e-03  6.7490000000e-04  6.9730000000e-04 -4.3020000000e-04  4.2897000000e-03 -4.1690000000e-04 -2.8395000000e-03 -3.5698000000e-03 -2.2977000000e-03  2.9306000000e-03 -3.3310000000e-04  3.1410000000e-03  1.1140000000e-04  3.1461000000e-03
+
+JOB 62
+COORDS  8.4304000000e-02  1.6478650000e+00 -1.1244740000e+00 -4.7995300000e-01  9.2826600000e-01 -8.4159100000e-01  7.7830500000e-01  1.6817200000e+00 -4.6610700000e-01 -9.6838000000e-02 -1.6284090000e+00  1.0071200000e+00 -6.3156500000e-01 -9.5247700000e-01  1.4235530000e+00  4.8293400000e-01 -1.9382560000e+00  1.7028870000e+00
+ENERGY -1.526549553607e+02
+FORCES  1.3789000000e-03 -4.5687000000e-03  3.2282000000e-03  1.0368000000e-03  4.4959000000e-03 -5.2540000000e-04 -2.9562000000e-03  8.5880000000e-04 -2.2637000000e-03  4.0640000000e-04 -5.1280000000e-04  5.7201000000e-03  2.7314000000e-03 -1.7859000000e-03 -3.2259000000e-03 -2.5973000000e-03  1.5127000000e-03 -2.9334000000e-03
+
+JOB 63
+COORDS -1.3754670000e+00 -2.2468900000e-01  1.4349230000e+00 -1.6657950000e+00 -5.1285800000e-01  5.6953300000e-01 -1.3732080000e+00  7.3100900000e-01  1.3813720000e+00  1.3414700000e+00  2.2800900000e-01 -1.3810160000e+00  1.2794440000e+00 -6.9714300000e-01 -1.1433630000e+00  2.2694560000e+00  3.6517800000e-01 -1.5714350000e+00
+ENERGY -1.526553501045e+02
+FORCES -5.7480000000e-04  3.9157000000e-03 -4.4307000000e-03  1.0698000000e-03  1.8150000000e-04  3.7078000000e-03 -8.3100000000e-04 -3.8892000000e-03  1.0363000000e-03  4.1772000000e-03 -3.3854000000e-03  8.5800000000e-04 -8.5800000000e-05  3.7451000000e-03 -1.8983000000e-03 -3.7553000000e-03 -5.6770000000e-04  7.2680000000e-04
+
+JOB 64
+COORDS -6.5293000000e-01  2.2195400000e-01 -1.8219790000e+00 -9.6728900000e-01  1.6852300000e-01 -2.7245060000e+00 -1.2927200000e-01 -5.7041200000e-01 -1.7029400000e+00  6.9113500000e-01 -1.3102700000e-01  1.8398430000e+00 -2.1321300000e-01 -2.1186600000e-01  1.5367710000e+00  7.4225400000e-01 -7.1066000000e-01  2.5998720000e+00
+ENERGY -1.526552739282e+02
+FORCES  1.7696000000e-03 -2.9851000000e-03 -3.8943000000e-03  1.3628000000e-03  1.2950000000e-04  3.6967000000e-03 -3.3091000000e-03  2.9984000000e-03 -5.3610000000e-04 -4.1093000000e-03 -1.5622000000e-03  1.9822000000e-03  4.4382000000e-03 -8.4370000000e-04  2.0066000000e-03 -1.5220000000e-04  2.2631000000e-03 -3.2550000000e-03
+
+JOB 65
+COORDS -7.6301400000e-01 -5.4789000000e-02  1.8212140000e+00  1.5992100000e-01  1.2930600000e-01  1.6464780000e+00 -7.7445800000e-01 -3.9669800000e-01  2.7151930000e+00  7.6488700000e-01  3.6519000000e-02 -1.8325280000e+00 -8.2386000000e-02  2.8080400000e-01 -1.4601230000e+00  6.9598400000e-01  2.6885900000e-01 -2.7585420000e+00
+ENERGY -1.526562455150e+02
+FORCES  4.0970000000e-03 -1.2606000000e-03  3.6004000000e-03 -4.7001000000e-03 -3.7740000000e-04  8.2940000000e-04  1.3820000000e-04  1.4965000000e-03 -3.4449000000e-03 -4.4406000000e-03  1.5751000000e-03 -2.5835000000e-03  4.6786000000e-03 -4.8270000000e-04 -2.0409000000e-03  2.2690000000e-04 -9.5090000000e-04  3.6394000000e-03
+
+JOB 66
+COORDS -3.4627200000e-01 -1.9635400000e+00  4.2810000000e-01 -9.2460000000e-02 -1.8809140000e+00  1.3473300000e+00  4.5153300000e-01 -1.7606100000e+00 -6.0326000000e-02  2.4565300000e-01  1.9476970000e+00 -4.0126900000e-01  6.3178800000e-01  1.1872500000e+00 -8.3584000000e-01  6.4215500000e-01  2.7011130000e+00 -8.3874300000e-01
+ENERGY -1.526532985085e+02
+FORCES  3.8107000000e-03  1.3147000000e-03  2.7927000000e-03 -8.7570000000e-04 -9.3480000000e-04 -3.9691000000e-03 -3.1749000000e-03  2.2200000000e-05  1.2192000000e-03  2.4103000000e-03  3.6500000000e-05 -4.0186000000e-03 -4.9690000000e-04  2.7938000000e-03  2.0371000000e-03 -1.6734000000e-03 -3.2324000000e-03  1.9388000000e-03
+
+JOB 67
+COORDS  1.2674700000e-01  1.2579130000e+00 -1.6296080000e+00  8.0559000000e-02  2.0290750000e+00 -1.0644470000e+00  5.6400200000e-01  5.9477600000e-01 -1.0954840000e+00 -1.2735300000e-01 -1.2093370000e+00  1.5505010000e+00 -9.4143300000e-01 -1.6852250000e+00  1.3860710000e+00  3.5691600000e-01 -1.7658020000e+00  2.1604690000e+00
+ENERGY -1.526567415225e+02
+FORCES  1.5168000000e-03 -3.8540000000e-04  5.7857000000e-03  1.6240000000e-04 -2.4184000000e-03 -2.6686000000e-03 -1.2088000000e-03  3.5337000000e-03 -4.0446000000e-03 -2.0709000000e-03 -4.8584000000e-03  2.5509000000e-03  3.6814000000e-03  1.8085000000e-03  9.6880000000e-04 -2.0809000000e-03  2.3201000000e-03 -2.5922000000e-03
+
+JOB 68
+COORDS -9.1738400000e-01 -4.5406400000e-01  1.9384180000e+00 -1.1302470000e+00  4.7563800000e-01  1.8573250000e+00 -1.0173200000e-01 -5.5715800000e-01  1.4481980000e+00  8.6419600000e-01  3.4481300000e-01 -1.9221010000e+00  3.8152000000e-01  1.1656880000e+00 -1.8250390000e+00  1.7726290000e+00  5.7626000000e-01 -1.7286760000e+00
+ENERGY -1.526546152599e+02
+FORCES  2.5669000000e-03  2.7802000000e-03 -3.3605000000e-03  8.2290000000e-04 -3.3898000000e-03  4.4410000000e-04 -3.2437000000e-03  7.6150000000e-04  3.4277000000e-03  1.8747000000e-03  4.5597000000e-03 -7.4680000000e-04  2.1323000000e-03 -3.5797000000e-03  3.6820000000e-04 -4.1532000000e-03 -1.1318000000e-03 -1.3260000000e-04
+
+JOB 69
+COORDS  5.4746900000e-01  1.4766610000e+00 -1.5451930000e+00  1.4733700000e+00  1.6385610000e+00 -1.3642850000e+00  3.9991700000e-01  5.7671300000e-01 -1.2544140000e+00 -5.7486100000e-01 -1.4565430000e+00  1.5835480000e+00 -1.3810560000e+00 -1.0454590000e+00  1.2716310000e+00 -2.0085000000e-02 -1.5174120000e+00  8.0589100000e-01
+ENERGY -1.526530167796e+02
+FORCES  3.7929000000e-03 -2.2974000000e-03  1.9652000000e-03 -4.0132000000e-03 -8.7320000000e-04 -9.4750000000e-04  1.0130000000e-04  2.8154000000e-03 -8.1820000000e-04 -1.7726000000e-03  1.0935000000e-03 -3.6790000000e-03  3.8942000000e-03 -1.9585000000e-03  1.0136000000e-03 -2.0026000000e-03  1.2202000000e-03  2.4659000000e-03
+
+JOB 70
+COORDS -3.8229600000e-01 -2.1694790000e+00  6.6241500000e-01 -2.7231700000e-01 -2.8303470000e+00 -2.1245000000e-02  4.3420200000e-01 -1.6701510000e+00  6.4709000000e-01  3.3872200000e-01  2.1235720000e+00 -5.9114400000e-01  3.6548000000e-02  2.9500680000e+00 -2.1454400000e-01  4.8526000000e-01  2.3207540000e+00 -1.5162800000e+00
+ENERGY -1.526545762099e+02
+FORCES  3.8424000000e-03  5.8760000000e-04 -3.0464000000e-03 -4.8510000000e-04  2.4354000000e-03  2.6831000000e-03 -3.0593000000e-03 -3.2931000000e-03  3.8980000000e-04 -1.3453000000e-03  4.4403000000e-03 -2.1255000000e-03  1.4392000000e-03 -3.2590000000e-03 -1.6836000000e-03 -3.9190000000e-04 -9.1110000000e-04  3.7828000000e-03
+
+JOB 71
+COORDS -1.1562160000e+00  9.4671600000e-01  1.7662350000e+00 -1.4212600000e+00  1.7994430000e+00  1.4215030000e+00 -1.8682690000e+00  3.5638600000e-01  1.5198170000e+00  1.1434690000e+00 -9.7895100000e-01 -1.7365140000e+00  1.8975600000e+00 -1.4961710000e+00 -2.0194660000e+00  1.5229030000e+00 -1.7207800000e-01 -1.3883520000e+00
+ENERGY -1.526546458086e+02
+FORCES -4.3012000000e-03  4.1890000000e-04 -2.6514000000e-03  1.3438000000e-03 -3.3278000000e-03  1.3787000000e-03  2.6435000000e-03  2.7762000000e-03  1.4284000000e-03  4.6456000000e-03  1.3372000000e-03  1.0340000000e-03 -3.0504000000e-03  2.0586000000e-03  1.0521000000e-03 -1.2813000000e-03 -3.2630000000e-03 -2.2419000000e-03
+
+JOB 72
+COORDS -6.2609100000e-01 -1.2978900000e-01 -2.5245810000e+00  3.0259000000e-01 -1.8778100000e-01 -2.3000380000e+00 -1.0790390000e+00 -1.5904000000e-01 -1.6818390000e+00  5.5440800000e-01  1.2525900000e-01  2.4156680000e+00  1.3422930000e+00  6.6738600000e-01  2.3760620000e+00  5.6886100000e-01 -2.5532000000e-01  3.2938380000e+00
+ENERGY -1.526552078049e+02
+FORCES  1.8750000000e-03 -4.5810000000e-04  5.0796000000e-03 -3.4613000000e-03  3.3840000000e-04 -1.3781000000e-03  1.5425000000e-03  1.3840000000e-04 -4.0889000000e-03  3.2486000000e-03  7.0660000000e-04  4.1161000000e-03 -3.2394000000e-03 -2.3552000000e-03 -1.0070000000e-04  3.4700000000e-05  1.6298000000e-03 -3.6280000000e-03
+
+JOB 73
+COORDS -1.0856020000e+00 -2.1763050000e+00 -1.1089930000e+00 -4.5401200000e-01 -2.3667030000e+00 -4.1539700000e-01 -1.2796870000e+00 -1.2444810000e+00 -1.0076600000e+00  1.0326530000e+00  2.1018740000e+00  1.0067130000e+00  1.9156480000e+00  2.4553770000e+00  1.1143570000e+00  6.2314400000e-01  2.2136950000e+00  1.8646350000e+00
+ENERGY -1.526550520293e+02
+FORCES  2.2332000000e-03  3.6763000000e-03  3.2025000000e-03 -2.6786000000e-03  2.5410000000e-04 -2.6957000000e-03  2.1610000000e-04 -4.2136000000e-03 -5.1460000000e-04  2.3279000000e-03  2.5159000000e-03  3.9375000000e-03 -3.6943000000e-03 -1.4914000000e-03 -3.1130000000e-04  1.5957000000e-03 -7.4130000000e-04 -3.6185000000e-03
+
+JOB 74
+COORDS -1.9141700000e-01  1.9985960000e+00 -1.6501660000e+00 -2.7085500000e-01  2.5146750000e+00 -2.4524030000e+00 -4.8746400000e-01  1.1227060000e+00 -1.8979670000e+00  2.0771800000e-01 -2.0122020000e+00  1.7724080000e+00  2.7013500000e-01 -2.3789290000e+00  8.9045100000e-01  2.2771100000e-01 -1.0643910000e+00  1.6401740000e+00
+ENERGY -1.526543158352e+02
+FORCES -1.6992000000e-03 -8.0160000000e-04 -4.7911000000e-03  3.1160000000e-04 -2.2339000000e-03  3.2926000000e-03  1.4810000000e-03  3.2160000000e-03  1.5265000000e-03  6.1580000000e-04  2.7206000000e-03 -3.8438000000e-03 -4.5000000000e-04  1.4671000000e-03  3.3702000000e-03 -2.5920000000e-04 -4.3682000000e-03  4.4550000000e-04
+
+JOB 75
+COORDS  7.5462300000e-01  1.5384410000e+00 -2.1007400000e+00  4.2466900000e-01  6.8067200000e-01 -1.8331710000e+00  1.4272400000e+00  1.7494970000e+00 -1.4532270000e+00 -7.9142900000e-01 -1.4358360000e+00  2.0498960000e+00 -1.7524000000e-01 -1.8799820000e+00  2.6323720000e+00 -1.0878460000e+00 -2.1188160000e+00  1.4483090000e+00
+ENERGY -1.526545410754e+02
+FORCES  1.0547000000e-03 -2.5675000000e-03  4.4115000000e-03  1.4694000000e-03  3.2696000000e-03 -1.7077000000e-03 -2.4161000000e-03 -7.5690000000e-04 -2.9145000000e-03  8.2160000000e-04 -4.9082000000e-03  6.3030000000e-04 -2.4495000000e-03  1.9121000000e-03 -2.5888000000e-03  1.5199000000e-03  3.0510000000e-03  2.1693000000e-03
+
+JOB 76
+COORDS -7.5042100000e-01  2.3918920000e+00 -8.4492700000e-01 -1.0744680000e+00  3.1641290000e+00 -3.8138200000e-01 -3.8112300000e-01  2.7372560000e+00 -1.6576840000e+00  6.8511900000e-01 -2.4691490000e+00  8.9146200000e-01  1.5129420000e+00 -2.3328800000e+00  1.3523020000e+00  9.0298900000e-01 -2.3515150000e+00 -3.3160000000e-02
+ENERGY -1.526538623736e+02
+FORCES -1.3500000000e-04  4.6096000000e-03 -1.1531000000e-03  1.4016000000e-03 -3.0775000000e-03 -2.0024000000e-03 -1.3660000000e-03 -1.5749000000e-03  3.3010000000e-03  3.9556000000e-03  1.8280000000e-03 -2.0996000000e-03 -3.2393000000e-03 -7.7960000000e-04 -1.7617000000e-03 -6.1680000000e-04 -1.0057000000e-03  3.7158000000e-03
+
+JOB 77
+COORDS -1.2128800000e-01  1.4482200000e-01 -2.9446040000e+00  7.7375000000e-02  2.8624100000e-01 -2.0189870000e+00 -9.9766100000e-01 -2.4014500000e-01 -2.9458690000e+00  1.9255500000e-01 -8.2919000000e-02  2.9205300000e+00  3.2979400000e-01 -3.8240500000e-01  2.0218050000e+00 -5.1494800000e-01 -6.3572500000e-01  3.2523070000e+00
+ENERGY -1.526535101526e+02
+FORCES -2.8551000000e-03 -6.0340000000e-04  3.4415000000e-03 -8.0430000000e-04 -1.0186000000e-03 -3.4815000000e-03  3.7112000000e-03  1.4697000000e-03  1.9270000000e-04 -2.1651000000e-03 -3.7124000000e-03 -1.7852000000e-03 -7.9420000000e-04  1.5114000000e-03  3.1826000000e-03  2.9075000000e-03  2.3534000000e-03 -1.5501000000e-03
+
+JOB 78
+COORDS  1.6809700000e-01  2.7410330000e+00  8.7056500000e-01  7.6203400000e-01  3.2125450000e+00  1.4546430000e+00  6.1098100000e-01  2.7471040000e+00  2.2008000000e-02 -2.3991500000e-01 -2.7376890000e+00 -8.0071400000e-01  3.7896700000e-01 -3.4525440000e+00 -9.4971000000e-01 -6.2704300000e-01 -2.5723200000e+00 -1.6603750000e+00
+ENERGY -1.526536409265e+02
+FORCES  4.3014000000e-03  1.4489000000e-03 -1.0404000000e-03 -2.4345000000e-03 -1.8086000000e-03 -2.3737000000e-03 -1.8275000000e-03  2.6450000000e-04  3.3574000000e-03  7.3440000000e-04 -2.1605000000e-03 -3.9858000000e-03 -2.4738000000e-03  2.9581000000e-03  6.0900000000e-04  1.7000000000e-03 -7.0240000000e-04  3.4335000000e-03
+
+JOB 79
+COORDS -1.1855600000e-01 -1.4440390000e+00 -2.5995230000e+00  6.7617900000e-01 -1.8640550000e+00 -2.2705630000e+00 -4.9528100000e-01 -1.0102950000e+00 -1.8339020000e+00  8.3485000000e-02  1.4518740000e+00  2.5971150000e+00  8.6404700000e-01  1.5748740000e+00  2.0569070000e+00 -5.9842500000e-01  1.1917120000e+00  1.9778040000e+00
+ENERGY -1.526535326929e+02
+FORCES  1.6773000000e-03 -4.0670000000e-04  4.2381000000e-03 -3.3169000000e-03  1.9657000000e-03 -1.2790000000e-03  1.6355000000e-03 -1.4001000000e-03 -2.8931000000e-03  3.7350000000e-04 -3.5300000000e-05 -4.4127000000e-03 -3.3439000000e-03 -8.2910000000e-04  2.0858000000e-03  2.9744000000e-03  7.0550000000e-04  2.2608000000e-03
+
+JOB 80
+COORDS -6.2534400000e-01 -1.5617120000e+00  2.5017750000e+00 -1.4390650000e+00 -1.8004650000e+00  2.0578310000e+00  6.6619000000e-02 -1.8830320000e+00  1.9236980000e+00  6.0983000000e-01  1.6402960000e+00 -2.4092320000e+00  1.3146900000e+00  1.0267330000e+00 -2.2020010000e+00  3.1186100000e-01  1.3781860000e+00 -3.2802910000e+00
+ENERGY -1.526537968196e+02
+FORCES -6.5990000000e-04 -1.9552000000e-03 -4.2716000000e-03  3.3574000000e-03  7.6970000000e-04  1.8743000000e-03 -2.6775000000e-03  1.1892000000e-03  2.3149000000e-03  1.7931000000e-03 -3.2664000000e-03 -2.7444000000e-03 -2.9896000000e-03  2.2944000000e-03 -8.2300000000e-04  1.1765000000e-03  9.6830000000e-04  3.6498000000e-03
+
+JOB 81
+COORDS  4.4434700000e-01 -2.8196190000e+00  6.6548300000e-01  7.7562400000e-01 -3.0764730000e+00  1.5260140000e+00  1.5546300000e-01 -3.6396110000e+00  2.6499500000e-01 -4.1729500000e-01  2.8346400000e+00 -7.3072600000e-01 -2.5982500000e-01  2.9662000000e+00  2.0422100000e-01 -1.1188310000e+00  3.4496580000e+00 -9.4480900000e-01
+ENERGY -1.526536069347e+02
+FORCES  1.6780000000e-04 -4.3315000000e-03  1.6167000000e-03 -1.3727000000e-03  1.1214000000e-03 -3.4426000000e-03  1.1825000000e-03  3.2932000000e-03  1.7166000000e-03 -2.1880000000e-03  2.5820000000e-03  3.1165000000e-03 -6.4270000000e-04 -2.1150000000e-04 -3.8148000000e-03  2.8531000000e-03 -2.4535000000e-03  8.0760000000e-04
+
+JOB 82
+COORDS -7.9345900000e-01  2.8836690000e+00  1.0802440000e+00 -4.3205100000e-01  3.1952330000e+00  2.5045900000e-01 -3.2742200000e-01  2.0656030000e+00  1.2528980000e+00  7.2471700000e-01 -2.8996600000e+00 -1.0820990000e+00  8.1010100000e-01 -2.9309180000e+00 -1.2922800000e-01  1.0372070000e+00 -2.0274460000e+00 -1.3225650000e+00
+ENERGY -1.526535619549e+02
+FORCES  3.1770000000e-03 -1.8397000000e-03 -2.6643000000e-03 -1.3829000000e-03 -1.4433000000e-03  3.4389000000e-03 -1.7476000000e-03  3.1684000000e-03 -8.0970000000e-04  1.6233000000e-03  3.0771000000e-03  2.8121000000e-03 -3.3740000000e-04  3.8350000000e-04 -3.9380000000e-03 -1.3324000000e-03 -3.3460000000e-03  1.1610000000e-03
+
+JOB 83
+COORDS -4.0155000000e-01 -2.3724970000e+00  2.1426870000e+00 -5.1858000000e-02 -2.4975020000e+00  3.0249120000e+00 -3.2895600000e-01 -3.2338190000e+00  1.7314860000e+00  4.3523000000e-01  2.4313670000e+00 -2.1364160000e+00  2.6191000000e-02  3.1362350000e+00 -2.6384910000e+00 -1.6853500000e-01  1.6936320000e+00 -2.2227120000e+00
+ENERGY -1.526540980267e+02
+FORCES  1.9379000000e-03 -3.9115000000e-03  2.0469000000e-03 -1.5002000000e-03  4.1730000000e-04 -3.5872000000e-03 -3.8590000000e-04  3.5197000000e-03  1.6007000000e-03 -4.2423000000e-03 -3.5740000000e-04 -2.0646000000e-03  1.6996000000e-03 -2.8154000000e-03  1.9900000000e-03  2.4909000000e-03  3.1473000000e-03  1.4100000000e-05
+
+JOB 84
+COORDS  4.1631000000e-01  1.0948630000e+00  3.1424110000e+00  1.3126000000e+00  1.1064630000e+00  3.4782120000e+00 -8.4461000000e-02  1.6071620000e+00  3.7772420000e+00 -4.7111500000e-01 -1.1269010000e+00 -3.2621020000e+00 -8.9490700000e-01 -1.1741870000e+00 -2.4051330000e+00  4.6380600000e-01 -1.0704430000e+00 -3.0647020000e+00
+ENERGY -1.526545210192e+02
+FORCES  1.5667000000e-03  2.2768000000e-03  4.1334000000e-03 -3.6462000000e-03 -9.7000000000e-05 -1.4468000000e-03  2.0734000000e-03 -2.1207000000e-03 -2.5941000000e-03  2.0630000000e-03  2.0210000000e-04  4.5984000000e-03  1.6406000000e-03  4.6500000000e-05 -3.7023000000e-03 -3.6976000000e-03 -3.0780000000e-04 -9.8870000000e-04
+
+JOB 85
+COORDS  8.7611600000e-01 -2.1973110000e+00 -2.7367010000e+00  7.9344000000e-02 -2.6332220000e+00 -3.0389710000e+00  6.5157200000e-01 -1.2668750000e+00 -2.7266480000e+00 -7.7786100000e-01  2.1796450000e+00  2.8043280000e+00 -7.9335400000e-01  2.6763630000e+00  1.9862430000e+00 -1.4650440000e+00  1.5217330000e+00  2.6986730000e+00
+ENERGY -1.526538296903e+02
+FORCES -4.0318000000e-03  1.9429000000e-03 -1.2552000000e-03  3.2206000000e-03  1.8434000000e-03  1.2894000000e-03  8.0330000000e-04 -3.7577000000e-03  8.2000000000e-06 -2.8045000000e-03 -7.0130000000e-04 -3.6345000000e-03  3.7200000000e-05 -2.0678000000e-03  3.2497000000e-03  2.7753000000e-03  2.7405000000e-03  3.4250000000e-04
+
+JOB 86
+COORDS -1.4129620000e+00  2.9235800000e+00 -1.5214480000e+00 -1.3316790000e+00  3.4647100000e+00 -7.3607900000e-01 -2.3543680000e+00  2.7791610000e+00 -1.6170020000e+00  1.4291830000e+00 -2.9091820000e+00  1.4372800000e+00  1.2990080000e+00 -3.8374830000e+00  1.6310430000e+00  2.1597170000e+00 -2.6472180000e+00  1.9975700000e+00
+ENERGY -1.526538307042e+02
+FORCES -3.4502000000e-03  1.3045000000e-03  2.9505000000e-03 -3.4110000000e-04 -2.0632000000e-03 -3.2370000000e-03  3.7884000000e-03  7.1140000000e-04  3.2780000000e-04  2.5138000000e-03 -2.6446000000e-03  2.9418000000e-03  4.9440000000e-04  3.7858000000e-03 -7.6580000000e-04 -3.0053000000e-03 -1.0938000000e-03 -2.2172000000e-03
+
+JOB 87
+COORDS -1.3026600000e+00  3.0384350000e+00 -2.3239340000e+00 -1.3189160000e+00  3.4846210000e+00 -1.4772420000e+00 -1.8267840000e+00  3.5958820000e+00 -2.8990670000e+00  1.3461120000e+00 -3.1169850000e+00  2.3652860000e+00  5.0375100000e-01 -2.8036630000e+00  2.0359100000e+00  1.9377450000e+00 -3.0471560000e+00  1.6160690000e+00
+ENERGY -1.526543081447e+02
+FORCES -2.2195000000e-03  4.2247000000e-03  1.0365000000e-03  7.1000000000e-05 -1.9041000000e-03 -3.4346000000e-03  2.1366000000e-03 -2.2905000000e-03  2.3633000000e-03 -1.0397000000e-03  1.6055000000e-03 -4.5264000000e-03  3.4128000000e-03 -1.3041000000e-03  1.4476000000e-03 -2.3613000000e-03 -3.3140000000e-04  3.1136000000e-03
+
+JOB 88
+COORDS  1.2885900000e-01 -4.1172220000e+00  4.4841370000e+00 -4.9997000000e-01 -3.9987440000e+00  5.1960140000e+00  9.8135300000e-01 -4.1425290000e+00  4.9187010000e+00 -1.1207200000e-01  4.0706300000e+00 -4.5945000000e+00 -3.4671100000e-01  3.8677530000e+00 -3.6889520000e+00 -3.9082200000e-01  4.9780990000e+00 -4.7170960000e+00
+ENERGY -1.526540712781e+02
+FORCES  9.2860000000e-04  3.4000000000e-04  4.6723000000e-03  2.5601000000e-03 -4.6310000000e-04 -2.9079000000e-03 -3.4867000000e-03  1.1910000000e-04 -1.7675000000e-03 -2.1010000000e-03  2.8234000000e-03  3.2160000000e-03  9.5820000000e-04  8.6820000000e-04 -3.7055000000e-03  1.1408000000e-03 -3.6876000000e-03  4.9260000000e-04
+
+JOB 89
+COORDS  2.7498680000e+00  5.3157900000e+00  4.1657290000e+00  2.1474520000e+00  4.8396950000e+00  4.7372710000e+00  2.7197340000e+00  4.8399920000e+00  3.3357050000e+00 -2.7024300000e+00 -5.2273350000e+00 -4.2081550000e+00 -2.3158260000e+00 -6.0715460000e+00 -3.9756070000e+00 -3.3242430000e+00 -5.0458590000e+00 -3.5034230000e+00
+ENERGY -1.526540720960e+02
+FORCES -2.5770000000e-03 -3.8751000000e-03 -1.0739000000e-03  2.4555000000e-03  1.9373000000e-03 -2.3234000000e-03  1.2060000000e-04  1.9364000000e-03  3.3997000000e-03 -9.7770000000e-04 -2.7342000000e-03  3.7931000000e-03 -1.5719000000e-03  3.4580000000e-03 -9.3510000000e-04  2.5505000000e-03 -7.2240000000e-04 -2.8604000000e-03
+
+JOB 0
+COORDS -2.5612200000e-01  1.2559670000e+00 -1.4492200000e-01  3.2518700000e-01  1.0577700000e+00 -8.7910900000e-01 -1.5169500000e-01  2.1968640000e+00 -3.3550000000e-03  2.5161100000e-01 -1.3339700000e+00  2.1679800000e-01 -3.0027800000e-01 -1.5946070000e+00 -5.2057500000e-01  1.3096400000e-01 -3.8677300000e-01  2.8382600000e-01
+ENERGY -1.526567095608e+02
+FORCES  2.9635000000e-03 -3.2543000000e-03  1.2840000000e-03 -3.6345000000e-03 -2.2268000000e-03  6.8216000000e-03  1.4400000000e-05 -4.6376000000e-03 -2.7902000000e-03 -6.9039000000e-03  1.2675100000e-02  4.7780000000e-04  2.7361000000e-03  1.8028000000e-03  1.0645000000e-03  4.8244000000e-03 -4.3592000000e-03 -6.8578000000e-03
+
+JOB 1
+COORDS -5.8597100000e-01 -4.6189000000e-02  1.2425170000e+00  1.5089800000e-01 -1.8818000000e-01  1.8367330000e+00 -1.8015700000e-01  1.0602900000e-01  3.8906700000e-01  5.0857400000e-01  9.0130000000e-02 -1.1785860000e+00  1.1355980000e+00 -6.3091100000e-01 -1.2349130000e+00 -1.2456000000e-02  1.8101000000e-02 -1.9783190000e+00
+ENERGY -1.526591466164e+02
+FORCES  8.0297000000e-03  2.0272000000e-03 -1.5137800000e-02 -9.7680000000e-04 -2.6170000000e-04 -3.2610000000e-03 -2.4551000000e-03 -1.2156000000e-03  9.3360000000e-03 -4.8601000000e-03 -3.8166000000e-03  4.9517000000e-03 -3.5372000000e-03  3.8389000000e-03  5.6220000000e-04  3.7995000000e-03 -5.7210000000e-04  3.5490000000e-03
+
+JOB 2
+COORDS -1.1997220000e+00 -1.9135100000e-01  6.6746100000e-01 -8.5593600000e-01  1.7269200000e-01  1.4832520000e+00 -4.6966700000e-01 -1.3109200000e-01  5.1328000000e-02  1.1070550000e+00  1.8511600000e-01 -6.2359100000e-01  8.2185900000e-01  3.5685500000e-01 -1.5210330000e+00  1.8858870000e+00 -3.6293100000e-01 -7.2000400000e-01
+ENERGY -1.526581366341e+02
+FORCES  1.7351500000e-02  3.1464000000e-03 -4.5854000000e-03 -1.5295000000e-03 -1.2720000000e-03 -1.1560000000e-03 -8.3321000000e-03  6.1760000000e-04 -2.4128000000e-03 -3.4197000000e-03 -3.4736000000e-03  2.2583000000e-03 -4.6650000000e-04 -2.8090000000e-03  6.5061000000e-03 -3.6036000000e-03  3.7906000000e-03 -6.1010000000e-04
+
+JOB 3
+COORDS -9.8690500000e-01  8.4190300000e-01  7.5291000000e-02 -9.1239000000e-01  1.7718690000e+00 -1.3881700000e-01 -1.1591960000e+00  8.2543900000e-01  1.0167140000e+00  1.0051000000e+00 -9.6137800000e-01 -1.3283500000e-01  1.6330960000e+00 -3.0669200000e-01  1.7251800000e-01  1.6722800000e-01 -4.9901000000e-01 -1.5327300000e-01
+ENERGY -1.526583301717e+02
+FORCES  5.9043000000e-03 -8.8040000000e-04  2.4950000000e-04 -5.1300000000e-04 -4.1289000000e-03  2.8786000000e-03  2.3717000000e-03  7.5300000000e-05 -5.3495000000e-03 -1.0197100000e-02  1.3939200000e-02  4.2700000000e-04 -7.9790000000e-04 -1.7727000000e-03 -2.7910000000e-04  3.2320000000e-03 -7.2325000000e-03  2.0735000000e-03
+
+JOB 4
+COORDS  1.0661800000e-01  1.2048140000e+00  4.6592800000e-01  2.3228700000e-01  1.7821920000e+00  1.2189710000e+00 -4.0336000000e-02  1.7988840000e+00 -2.7008700000e-01 -1.5835000000e-01 -1.3139280000e+00 -4.8507500000e-01  7.6658400000e-01 -1.5578510000e+00 -5.2014600000e-01 -1.5730300000e-01 -4.1580000000e-01 -1.5402100000e-01
+ENERGY -1.526596234224e+02
+FORCES -8.9160000000e-04 -3.7824000000e-03  3.3560000000e-04 -1.6430000000e-04 -7.0330000000e-04 -5.0385000000e-03  8.0680000000e-04 -3.5852000000e-03  4.3241000000e-03  4.2615000000e-03  1.2053700000e-02  6.9084000000e-03 -2.3282000000e-03  5.5860000000e-04 -5.9600000000e-05 -1.6842000000e-03 -4.5414000000e-03 -6.4700000000e-03
+
+JOB 5
+COORDS  4.4054600000e-01 -1.2419240000e+00  1.0557800000e-01  5.1463000000e-02 -1.7523870000e+00  8.1570100000e-01  2.5389100000e-01 -1.7488840000e+00 -6.8460100000e-01 -3.9777200000e-01  1.3649380000e+00 -9.9569000000e-02 -1.2409230000e+00  9.2492100000e-01 -2.0779300000e-01  2.2918500000e-01  6.5352500000e-01  3.0997000000e-02
+ENERGY -1.526586494307e+02
+FORCES -3.6401000000e-03  1.7186000000e-03 -7.1300000000e-04  9.9870000000e-04  2.1477000000e-03 -4.4158000000e-03 -1.9440000000e-04  2.1725000000e-03  4.5388000000e-03  2.2287000000e-03 -1.5652400000e-02  1.0474000000e-03  4.6140000000e-04  2.1598000000e-03 -1.0930000000e-04  1.4570000000e-04  7.4537000000e-03 -3.4810000000e-04
+
+JOB 6
+COORDS  7.0287400000e-01  8.4614500000e-01 -7.4530500000e-01  5.6025700000e-01  6.6465100000e-01 -1.6742570000e+00  2.9782600000e-01  1.7016630000e+00 -6.0298200000e-01 -7.0639400000e-01 -8.8167000000e-01  8.4677000000e-01 -1.8498600000e-01 -2.4113400000e-01  3.6295100000e-01 -5.8290800000e-01 -1.7017910000e+00  3.6887400000e-01
+ENERGY -1.526599825755e+02
+FORCES -4.5593000000e-03 -8.1900000000e-04 -1.2207000000e-03  4.7670000000e-04  1.0695000000e-03  4.9659000000e-03  1.3961000000e-03 -5.7888000000e-03 -5.9900000000e-04  9.7865000000e-03  7.2668000000e-03 -1.0225400000e-02 -6.6952000000e-03 -4.1850000000e-03  6.5963000000e-03 -4.0490000000e-04  2.4565000000e-03  4.8280000000e-04
+
+JOB 7
+COORDS  1.7229900000e-01  1.2985890000e+00 -9.8453000000e-02 -3.2692600000e-01  1.6253420000e+00  6.5003800000e-01  7.3593300000e-01  2.0305660000e+00 -3.4897200000e-01 -2.3327800000e-01 -1.3810550000e+00  8.6808000000e-02  4.1552000000e-02 -4.6619500000e-01  2.5723000000e-02  5.4841600000e-01 -1.8824590000e+00 -1.4510000000e-01
+ENERGY -1.526601276279e+02
+FORCES  1.5300000000e-04 -2.4307000000e-03  7.8110000000e-04  3.5302000000e-03 -1.7724000000e-03 -4.1531000000e-03 -3.5546000000e-03 -2.1965000000e-03  2.2403000000e-03  4.9649000000e-03  1.1850500000e-02 -2.7740000000e-03 -3.3633000000e-03 -7.6868000000e-03  3.5791000000e-03 -1.7303000000e-03  2.2360000000e-03  3.2670000000e-04
+
+JOB 8
+COORDS  7.2280800000e-01 -1.2085120000e+00 -8.7602000000e-02  1.5420200000e-01 -4.8104800000e-01  1.6481800000e-01  1.1996600000e-01 -1.9088510000e+00 -3.3727900000e-01 -6.1995200000e-01  1.2148380000e+00  2.5358000000e-02 -3.1674000000e-01  1.3459180000e+00  9.2375300000e-01 -1.5308390000e+00  9.3561700000e-01  1.1783100000e-01
+ENERGY -1.526557634089e+02
+FORCES -7.9969000000e-03  1.0608100000e-02 -2.2708000000e-03  2.7093000000e-03 -7.9623000000e-03  6.0238000000e-03  8.0290000000e-04  3.3711000000e-03  1.0302000000e-03 -1.2634000000e-03  1.0665000000e-03  1.6410000000e-03 -9.3150000000e-04 -5.5494000000e-03 -6.1438000000e-03  6.6796000000e-03 -1.5340000000e-03 -2.8030000000e-04
+
+JOB 9
+COORDS -1.1710690000e+00  7.1234700000e-01  3.1284000000e-01 -1.4315830000e+00  1.4608690000e+00 -2.2389000000e-01 -4.1333700000e-01  3.4362800000e-01 -1.4116500000e-01  1.1082960000e+00 -6.8386700000e-01 -2.3428100000e-01  1.9068840000e+00 -7.2000300000e-01 -7.6076400000e-01  9.2495600000e-01 -1.5970060000e+00 -1.3382000000e-02
+ENERGY -1.526603795246e+02
+FORCES  1.0035400000e-02 -3.7879000000e-03 -3.8507000000e-03  2.2849000000e-03 -2.5579000000e-03  8.5860000000e-04 -9.0076000000e-03  3.6708000000e-03  1.4096000000e-03 -1.6023000000e-03 -9.6260000000e-04  9.0160000000e-04 -3.6533000000e-03 -8.7980000000e-04  2.7505000000e-03  1.9430000000e-03  4.5174000000e-03 -2.0696000000e-03
+
+JOB 10
+COORDS  4.0028200000e-01 -3.0372400000e-01 -1.3269780000e+00  1.5487000000e-02 -3.8089100000e-01 -4.5393200000e-01  1.2012370000e+00 -8.2601700000e-01 -1.2832420000e+00 -3.6808900000e-01  3.3053800000e-01  1.2333870000e+00 -9.6228000000e-01  1.0808670000e+00  1.2466140000e+00 -7.3875500000e-01 -2.8037500000e-01  1.8702720000e+00
+ENERGY -1.526597541712e+02
+FORCES -1.1606000000e-03  2.0243000000e-03  1.2998100000e-02  1.3473000000e-03 -4.3849000000e-03 -8.8212000000e-03 -2.6762000000e-03  1.1832000000e-03  7.2830000000e-04 -1.9344000000e-03  3.1639000000e-03 -1.5477000000e-03  2.4418000000e-03 -4.5942000000e-03  1.1752000000e-03  1.9821000000e-03  2.6077000000e-03 -4.5326000000e-03
+
+JOB 11
+COORDS  7.6629300000e-01 -1.3129700000e-01 -1.1893210000e+00  1.2652520000e+00  6.8229700000e-01 -1.2623720000e+00  2.6088800000e-01 -3.1256000000e-02 -3.8260500000e-01 -7.0963800000e-01  8.8520000000e-02  1.1109260000e+00 -1.5730150000e+00  4.9426500000e-01  1.0322950000e+00 -8.0984300000e-01 -5.5490300000e-01  1.8124940000e+00
+ENERGY -1.526612843878e+02
+FORCES -5.6606000000e-03  2.4124000000e-03  1.1865900000e-02 -2.1128000000e-03 -1.8940000000e-03  8.1190000000e-04  4.6235000000e-03  4.6260000000e-04 -8.6704000000e-03  3.0000000000e-06 -2.5615000000e-03 -2.3288000000e-03  4.3171000000e-03 -2.3968000000e-03  1.1817000000e-03 -1.1702000000e-03  3.9772000000e-03 -2.8604000000e-03
+
+JOB 12
+COORDS  6.6769800000e-01  1.3571500000e-01  1.2346950000e+00  1.1334530000e+00 -6.3706800000e-01  1.5542400000e+00  3.9185500000e-01 -9.9587000000e-02  3.4881900000e-01 -6.3446200000e-01 -9.1947000000e-02 -1.1494550000e+00 -4.4801100000e-01  4.0561200000e-01 -1.9456350000e+00 -1.5671270000e+00 -2.9896300000e-01 -1.2087160000e+00
+ENERGY -1.526606589518e+02
+FORCES -4.9746000000e-03 -2.3081000000e-03 -1.0443100000e-02 -2.1941000000e-03  1.7526000000e-03 -2.3525000000e-03  5.9390000000e-03 -2.5620000000e-04  7.7673000000e-03 -9.8330000000e-04  2.1618000000e-03  3.4220000000e-03 -2.0639000000e-03 -2.6646000000e-03  3.3793000000e-03  4.2770000000e-03  1.3144000000e-03 -1.7730000000e-03
+
+JOB 13
+COORDS -8.5801800000e-01 -8.5087400000e-01  5.4774800000e-01 -1.5027840000e+00 -6.1948400000e-01  1.2163040000e+00 -1.3247810000e+00 -1.4443460000e+00 -4.0601000000e-02  9.4216900000e-01  9.0245200000e-01 -6.0443000000e-01  1.3594550000e+00  8.8805300000e-01  2.5690500000e-01  1.7580100000e-01  3.3688800000e-01 -5.0930400000e-01
+ENERGY -1.526592668529e+02
+FORCES -1.1638000000e-03  1.6827000000e-03  4.1830000000e-04  3.1364000000e-03 -2.0845000000e-03 -3.3253000000e-03  2.4844000000e-03  4.6347000000e-03  2.4016000000e-03 -7.7385000000e-03 -9.3307000000e-03  9.4478000000e-03  1.5430000000e-04  1.7008000000e-03 -2.1844000000e-03  3.1272000000e-03  3.3969000000e-03 -6.7580000000e-03
+
+JOB 14
+COORDS -5.3998400000e-01  7.6969200000e-01 -1.0598650000e+00 -2.6645800000e-01  1.4808700000e-01 -3.8531200000e-01 -1.3377570000e+00  3.8932000000e-01 -1.4274350000e+00  5.9590300000e-01 -7.2681600000e-01  9.7697600000e-01  1.0217050000e+00 -1.9788500000e-01  1.6516290000e+00 -2.3673200000e-01 -9.9046200000e-01  1.3686910000e+00
+ENERGY -1.526589272144e+02
+FORCES  5.6905000000e-03 -7.7295000000e-03  7.5686000000e-03 -9.1213000000e-03  3.8910000000e-03 -5.7568000000e-03  2.7693000000e-03 -2.2540000000e-04  3.1991000000e-03  2.0670000000e-04  4.1941000000e-03  3.0719000000e-03 -2.7170000000e-03 -3.6682000000e-03 -2.6422000000e-03  3.1718000000e-03  3.5380000000e-03 -5.4405000000e-03
+
+JOB 15
+COORDS  1.1277290000e+00 -4.7404300000e-01  5.3115200000e-01  1.8551830000e+00 -7.8059300000e-01 -1.0207000000e-02  9.9688000000e-01 -1.1708620000e+00  1.1742340000e+00 -1.1909870000e+00  5.0690100000e-01 -5.9617500000e-01 -3.9208200000e-01  2.1220200000e-01 -1.5898700000e-01 -1.5117790000e+00  1.2253810000e+00 -5.1097000000e-02
+ENERGY -1.526615643329e+02
+FORCES -1.2982000000e-03 -2.2081000000e-03 -2.6794000000e-03 -3.2322000000e-03  4.2750000000e-04  3.8578000000e-03  1.1738000000e-03  3.4436000000e-03 -3.5423000000e-03  1.1122800000e-02 -2.6711000000e-03  6.2263000000e-03 -9.3920000000e-03  3.5812000000e-03 -3.1490000000e-03  1.6259000000e-03 -2.5732000000e-03 -7.1340000000e-04
+
+JOB 16
+COORDS -3.5439000000e-01 -3.7732800000e-01  1.2295520000e+00 -1.3359100000e-01  9.9462000000e-02  2.0296460000e+00 -3.0705500000e-01 -1.3001570000e+00  1.4793070000e+00  3.7602000000e-01  4.1413200000e-01 -1.3419210000e+00 -4.9140500000e-01  7.6952600000e-01 -1.1482730000e+00  5.6666300000e-01 -1.6779400000e-01 -6.0622400000e-01
+ENERGY -1.526585120295e+02
+FORCES  9.1490000000e-04  9.8940000000e-04  1.9292000000e-03 -1.4724000000e-03 -2.9284000000e-03 -3.7062000000e-03  1.1929000000e-03  4.9922000000e-03 -2.3275000000e-03 -6.1801000000e-03 -2.5290000000e-03  1.3207200000e-02  1.8427000000e-03  1.0066000000e-03 -3.3094000000e-03  3.7021000000e-03 -1.5308000000e-03 -5.7933000000e-03
+
+JOB 17
+COORDS  1.3778660000e+00  3.2503600000e-01 -3.7761000000e-02  1.9224200000e+00  1.4426100000e-01 -8.0392900000e-01  5.1772200000e-01 -2.7434000000e-02 -2.6612100000e-01 -1.3352660000e+00 -2.6829700000e-01  3.1094000000e-02 -1.6098430000e+00 -1.1736100000e+00  1.7686300000e-01 -1.4690490000e+00  1.6199800000e-01  8.7559400000e-01
+ENERGY -1.526614809926e+02
+FORCES -1.0382100000e-02 -2.7554000000e-03 -2.4540000000e-03 -3.2578000000e-03 -4.6530000000e-04  1.9040000000e-03  1.1147800000e-02  1.7438000000e-03  1.5600000000e-04  2.7200000000e-04  2.4440000000e-04  5.4310000000e-03  2.0189000000e-03  4.5130000000e-03 -5.5990000000e-04  2.0110000000e-04 -3.2805000000e-03 -4.4771000000e-03
+
+JOB 18
+COORDS -4.0513900000e-01  1.0789390000e+00  7.2281000000e-01 -2.8741600000e-01  1.9210640000e+00  2.8326700000e-01 -1.3539970000e+00  9.7880400000e-01  7.9945000000e-01  4.0006400000e-01 -1.1373950000e+00 -7.3735900000e-01  1.2542000000e+00 -1.5692000000e+00 -7.5244700000e-01  5.0610400000e-01 -4.1737700000e-01 -1.1561800000e-01
+ENERGY -1.526607977352e+02
+FORCES -4.5973000000e-03 -8.1750000000e-04 -4.0383000000e-03 -6.4940000000e-04 -4.0026000000e-03  2.0601000000e-03  4.2972000000e-03  2.2459000000e-03  4.8700000000e-05 -1.1622000000e-03  7.4403000000e-03  6.1498000000e-03 -2.5361000000e-03  3.2143000000e-03  1.1402000000e-03  4.6478000000e-03 -8.0804000000e-03 -5.3605000000e-03
+
+JOB 19
+COORDS -1.1562900000e+00 -2.3652800000e-01  6.8777600000e-01 -1.6753820000e+00  1.5213500000e-01 -1.6295000000e-02 -1.4369100000e+00  2.2702400000e-01  1.4768290000e+00  1.2544900000e+00  1.8366800000e-01 -6.5048200000e-01  1.2555240000e+00  3.9280200000e-01 -1.5845560000e+00  3.3286800000e-01  3.5205000000e-02 -4.3881400000e-01
+ENERGY -1.526568204555e+02
+FORCES  2.3950000000e-04  4.3950000000e-03  3.3419000000e-03  7.4614000000e-03 -1.6296000000e-03  1.5777000000e-03 -4.4910000000e-04 -2.6003000000e-03 -4.2042000000e-03 -8.1806000000e-03 -2.2991000000e-03  4.8303000000e-03 -2.5907000000e-03 -6.8220000000e-04  3.8118000000e-03  3.5196000000e-03  2.8162000000e-03 -9.3575000000e-03
+
+JOB 20
+COORDS  6.6308000000e-02  2.8086600000e-01  1.3067790000e+00 -2.2788300000e-01  1.1555710000e+00  1.5608960000e+00  6.8906300000e-01  2.9539000000e-02  1.9888660000e+00 -9.0659000000e-02 -3.7088200000e-01 -1.4057230000e+00 -5.4755000000e-02  5.6573500000e-01 -1.5998640000e+00 -3.6867000000e-02 -4.2037700000e-01 -4.5131800000e-01
+ENERGY -1.526597233653e+02
+FORCES  5.0100000000e-04  1.8882000000e-03 -1.1405000000e-03  2.4111000000e-03 -3.9417000000e-03 -5.6440000000e-04 -3.2713000000e-03  2.0406000000e-03 -2.9775000000e-03  1.3197000000e-03  5.7622000000e-03  1.2234800000e-02 -5.9850000000e-04 -2.0151000000e-03 -4.0030000000e-04 -3.6200000000e-04 -3.7342000000e-03 -7.1521000000e-03
+
+JOB 21
+COORDS  6.2426400000e-01  3.2863300000e-01  1.2557700000e+00  1.0859440000e+00 -4.3687100000e-01  1.5979500000e+00  2.7501300000e-01  4.1026000000e-02  4.1224200000e-01 -5.7878800000e-01 -2.3723800000e-01 -1.1920940000e+00 -8.3195500000e-01 -8.9482000000e-02 -2.1033060000e+00 -1.1872270000e+00 -9.0681400000e-01 -8.7952300000e-01
+ENERGY -1.526591540709e+02
+FORCES -1.5507000000e-03 -2.1289000000e-03 -9.5845000000e-03 -2.4509000000e-03  1.7008000000e-03 -1.9931000000e-03  4.7240000000e-04 -2.6554000000e-03  9.0202000000e-03 -6.4790000000e-04  1.8823000000e-03 -9.4800000000e-04 -6.0860000000e-04 -2.3166000000e-03  4.0930000000e-03  4.7858000000e-03  3.5178000000e-03 -5.8750000000e-04
+
+JOB 22
+COORDS  9.2161300000e-01  8.6333200000e-01 -4.8861600000e-01  1.3990910000e+00  7.3775800000e-01 -1.3086630000e+00  1.5314790000e+00  1.3412520000e+00  7.3424000000e-02 -9.8041300000e-01 -9.2319100000e-01  5.5598200000e-01 -2.9992900000e-01 -3.3302800000e-01  2.3213100000e-01 -1.7067720000e+00 -8.1146300000e-01 -5.7331000000e-02
+ENERGY -1.526615536899e+02
+FORCES  1.8541000000e-03 -1.1987000000e-03  2.7330000000e-04 -1.7107000000e-03  1.6583000000e-03  4.1910000000e-03 -2.2659000000e-03 -2.4135000000e-03 -3.7584000000e-03  6.2394000000e-03  8.4862000000e-03 -6.1931000000e-03 -6.3760000000e-03 -6.0544000000e-03  4.2361000000e-03  2.2592000000e-03 -4.7790000000e-04  1.2511000000e-03
+
+JOB 23
+COORDS  1.8982800000e-01  3.0068600000e-01 -1.3410630000e+00 -2.6835700000e-01  1.0408030000e+00 -1.7392140000e+00  1.0541050000e+00  6.4581700000e-01 -1.1171430000e+00 -2.2293400000e-01 -3.8537600000e-01  1.4135400000e+00  5.1576500000e-01 -6.3918700000e-01  8.6024400000e-01 -7.3444600000e-01  2.1448700000e-01  8.7063000000e-01
+ENERGY -1.526553866932e+02
+FORCES  1.7827000000e-03  3.5405000000e-03  2.0500000000e-05  1.5986000000e-03 -3.4077000000e-03  3.4243000000e-03 -4.5801000000e-03 -3.1632000000e-03  1.0041000000e-03  2.7100000000e-04  1.5293000000e-03 -1.3347200000e-02  2.0254000000e-03  6.3970000000e-04  3.6252000000e-03 -1.0976000000e-03  8.6150000000e-04  5.2732000000e-03
+
+JOB 24
+COORDS  7.0521600000e-01 -8.9899800000e-01 -9.2618600000e-01  4.6171100000e-01 -4.6296600000e-01 -1.7427730000e+00  2.1318600000e-01 -4.3370200000e-01 -2.4969700000e-01 -6.2853200000e-01  7.9215800000e-01  9.5080500000e-01 -3.5948700000e-01  1.7098610000e+00  9.9163100000e-01 -1.5045970000e+00  8.1580400000e-01  5.6586100000e-01
+ENERGY -1.526600124189e+02
+FORCES -5.1787000000e-03  8.4648000000e-03  6.3530000000e-03  1.3730000000e-04 -9.0510000000e-04  2.6605000000e-03  1.8866000000e-03 -6.8991000000e-03 -7.7368000000e-03 -2.3040000000e-04  4.3307000000e-03 -8.4900000000e-04 -2.6773000000e-03 -4.2859000000e-03 -5.1760000000e-04  6.0626000000e-03 -7.0540000000e-04  8.9800000000e-05
+
+JOB 25
+COORDS -1.8510200000e-01  6.4688600000e-01 -1.1679200000e+00 -8.3389800000e-01  7.5451700000e-01 -1.8634130000e+00  6.0903200000e-01  1.0526870000e+00 -1.5156410000e+00  2.2840200000e-01 -6.6129400000e-01  1.2738270000e+00 -1.6170000000e-03 -3.4598600000e-01  3.9981100000e-01 -4.4526900000e-01 -1.3092190000e+00  1.4802040000e+00
+ENERGY -1.526610812505e+02
+FORCES  1.0415000000e-03  4.6610000000e-04 -1.9890000000e-04  3.7977000000e-03  2.2570000000e-04  2.3837000000e-03 -4.7117000000e-03 -1.7118000000e-03  4.9650000000e-04 -3.9967000000e-03  3.5051000000e-03 -9.3786000000e-03  2.4394000000e-03 -4.6967000000e-03  8.1633000000e-03  1.4297000000e-03  2.2116000000e-03 -1.4660000000e-03
+
+JOB 26
+COORDS  1.1739810000e+00 -9.5662000000e-02 -8.7236200000e-01  1.4641400000e+00 -9.9864200000e-01 -1.0014620000e+00  4.7288000000e-01 -1.5928000000e-01 -2.2379300000e-01 -1.1282930000e+00  9.1949000000e-02  8.2395000000e-01 -9.6677500000e-01  5.0525500000e-01  1.6720790000e+00 -1.6328220000e+00  7.4059200000e-01  3.3308900000e-01
+ENERGY -1.526622729882e+02
+FORCES -7.9460000000e-03 -2.5122000000e-03  6.4934000000e-03 -1.4527000000e-03  2.6173000000e-03  1.0702000000e-03  9.0438000000e-03  7.7000000000e-05 -6.7448000000e-03 -1.8860000000e-03  4.7427000000e-03  6.5180000000e-04 -7.4520000000e-04 -1.7676000000e-03 -4.6683000000e-03  2.9860000000e-03 -3.1572000000e-03  3.1977000000e-03
+
+JOB 27
+COORDS  6.5849000000e-01  8.2923700000e-01  1.0206790000e+00  2.4327000000e-02  9.2725600000e-01  1.7309340000e+00  3.2347900000e-01  1.0013400000e-01  4.9875200000e-01 -5.8283400000e-01 -7.9752900000e-01 -9.6607800000e-01 -6.3880200000e-01 -1.4999160000e+00 -1.6139610000e+00 -8.3095300000e-01 -7.6340000000e-03 -1.4464260000e+00
+ENERGY -1.526613755603e+02
+FORCES -4.6752000000e-03 -7.2923000000e-03 -3.0212000000e-03  1.6147000000e-03 -2.5790000000e-04 -2.7001000000e-03  2.2827000000e-03  7.6647000000e-03  4.9119000000e-03  3.8300000000e-04  4.6880000000e-04 -3.3731000000e-03 -7.6940000000e-04  4.1946000000e-03  1.6890000000e-03  1.1642000000e-03 -4.7779000000e-03  2.4935000000e-03
+
+JOB 28
+COORDS  7.9036700000e-01  8.8832600000e-01  8.9591900000e-01  1.4973570000e+00  2.5015900000e-01  9.9152200000e-01  9.3768000000e-02  4.0931200000e-01  4.4700200000e-01 -8.3961700000e-01 -7.8169800000e-01 -8.3776600000e-01 -1.5140400000e-01 -4.6114200000e-01 -1.4207230000e+00 -7.4923200000e-01 -1.7343410000e+00 -8.6084700000e-01
+ENERGY -1.526593016588e+02
+FORCES -5.3409000000e-03 -8.6304000000e-03 -2.7355000000e-03 -1.8853000000e-03  2.0198000000e-03 -1.1580000000e-03  7.1421000000e-03  6.5627000000e-03  8.6940000000e-04  2.3302000000e-03 -3.5578000000e-03 -2.9316000000e-03 -2.6892000000e-03 -1.2468000000e-03  6.4258000000e-03  4.4310000000e-04  4.8525000000e-03 -4.7000000000e-04
+
+JOB 29
+COORDS -6.0375800000e-01  6.7362700000e-01 -1.0999960000e+00  2.9702300000e-01  9.7619000000e-01 -1.2152400000e+00 -1.0950090000e+00  1.4632660000e+00 -8.7333600000e-01  6.0440700000e-01 -7.9148100000e-01  1.1137770000e+00  7.5244500000e-01  7.4562000000e-02  1.4936280000e+00  2.3808000000e-02 -6.3118900000e-01  3.6984000000e-01
+ENERGY -1.526592084844e+02
+FORCES  1.6492000000e-03  4.8111000000e-03 -2.2700000000e-05 -4.9446000000e-03 -1.8528000000e-03  2.5092000000e-03  3.3896000000e-03 -3.5009000000e-03 -6.1380000000e-04 -6.4189000000e-03  6.8211000000e-03 -5.9024000000e-03  6.0690000000e-04 -2.1847000000e-03 -1.1711000000e-03  5.7177000000e-03 -4.0938000000e-03  5.2008000000e-03
+
+JOB 30
+COORDS  1.9341800000e-01  1.3028230000e+00  6.4285100000e-01 -3.4975900000e-01  1.9985330000e+00  2.7247600000e-01  3.2396900000e-01  6.8953500000e-01 -8.0381000000e-02 -2.0173600000e-01 -1.2855130000e+00 -6.3735600000e-01  7.2804700000e-01 -1.3454820000e+00 -4.1795200000e-01 -6.5412400000e-01 -1.5880880000e+00  1.5006000000e-01
+ENERGY -1.526578591756e+02
+FORCES -4.1173000000e-03 -4.5481000000e-03 -7.4245000000e-03  1.7018000000e-03 -2.5752000000e-03  1.3289000000e-03  5.4944000000e-03  4.3812000000e-03  4.5177000000e-03 -4.6960000000e-04 -2.3762000000e-03  7.3664000000e-03 -4.9034000000e-03  4.9299000000e-03 -1.2970000000e-03  2.2941000000e-03  1.8830000000e-04 -4.4916000000e-03
+
+JOB 31
+COORDS -3.3790900000e-01  1.1912720000e+00 -6.0433900000e-01  1.8428100000e-01  1.8556700000e+00 -1.0539240000e+00 -1.1579590000e+00  1.1567810000e+00 -1.0968430000e+00  3.3812600000e-01 -1.2641300000e+00  7.1246600000e-01  1.0871140000e+00 -1.3646800000e+00  1.2498100000e-01 -1.4527600000e-01 -5.1722500000e-01  3.5935400000e-01
+ENERGY -1.526594477311e+02
+FORCES  1.8687000000e-03  1.7107000000e-03 -1.9533000000e-03 -3.4530000000e-03 -2.7758000000e-03  9.5210000000e-04  4.5420000000e-03 -7.4560000000e-04  2.7993000000e-03  5.8900000000e-04  1.0033800000e-02 -6.9938000000e-03 -1.3201000000e-03 -8.7600000000e-04  2.0353000000e-03 -2.2266000000e-03 -7.3471000000e-03  3.1604000000e-03
+
+JOB 32
+COORDS  6.9700700000e-01 -4.1335600000e-01  1.1499280000e+00  6.9461100000e-01 -9.9252600000e-01  1.9120220000e+00  1.3417760000e+00 -7.9945100000e-01  5.5710700000e-01 -7.9406000000e-01  4.9202400000e-01 -1.1785620000e+00 -5.2536500000e-01  1.7584600000e-01 -3.1596900000e-01 -7.9560000000e-03  4.1250700000e-01 -1.7188860000e+00
+ENERGY -1.526591465477e+02
+FORCES  2.1153000000e-03 -3.7736000000e-03  1.6605000000e-03  1.1921000000e-03  2.4596000000e-03 -3.9031000000e-03 -4.6117000000e-03  2.4417000000e-03  1.5894000000e-03  5.7961000000e-03 -2.2794000000e-03  7.4247000000e-03 -2.6680000000e-03  1.7309000000e-03 -8.7972000000e-03 -1.8237000000e-03 -5.7920000000e-04  2.0257000000e-03
+
+JOB 33
+COORDS -9.4896600000e-01 -5.4062400000e-01 -8.7440400000e-01 -1.7564380000e+00 -3.5986100000e-01 -1.3555970000e+00 -7.7515000000e-01 -1.4677650000e+00 -1.0369760000e+00  1.0396640000e+00  5.5850900000e-01  9.3668700000e-01  4.1065800000e-01  1.9849200000e-01  3.1141000000e-01  7.0170400000e-01  1.4301700000e+00  1.1421660000e+00
+ENERGY -1.526610454278e+02
+FORCES -2.0220000000e-03 -1.0855000000e-03 -1.4264000000e-03  3.3207000000e-03 -2.2854000000e-03  1.6037000000e-03 -1.2207000000e-03  4.8250000000e-03  5.5500000000e-04 -8.4727000000e-03 -2.2530000000e-04 -5.7009000000e-03  7.3574000000e-03  1.0504000000e-03  5.4761000000e-03  1.0374000000e-03 -2.2791000000e-03 -5.0750000000e-04
+
+JOB 34
+COORDS -4.8822000000e-01  5.7797100000e-01  1.2121680000e+00 -1.3120730000e+00  9.4001000000e-02  1.1549830000e+00 -7.5317500000e-01  1.4872850000e+00  1.3506540000e+00  5.9770200000e-01 -6.5129000000e-01 -1.2025560000e+00  2.9252300000e-01  4.4052000000e-02 -6.1980700000e-01  1.4650700000e-01 -4.8589700000e-01 -2.0303840000e+00
+ENERGY -1.526599243366e+02
+FORCES -4.7627000000e-03 -3.0250000000e-04  3.3375000000e-03  4.0770000000e-03  3.7096000000e-03 -7.1440000000e-04  1.1124000000e-03 -4.7347000000e-03 -1.9066000000e-03 -2.8746000000e-03  5.5814000000e-03  5.0383000000e-03  1.8421000000e-03 -4.2169000000e-03 -9.5133000000e-03  6.0570000000e-04 -3.6800000000e-05  3.7586000000e-03
+
+JOB 35
+COORDS  1.3365700000e-01 -1.0295640000e+00  1.1136750000e+00 -7.4833300000e-01 -1.3380250000e+00  9.0588400000e-01  3.7292200000e-01 -4.7084700000e-01  3.7420300000e-01 -4.6593000000e-02  1.0498990000e+00 -1.0160820000e+00  1.6590100000e-01  6.1431800000e-01 -1.8415200000e+00 -9.8733600000e-01  9.1107700000e-01 -9.0670700000e-01
+ENERGY -1.526581348642e+02
+FORCES -1.4615000000e-03  6.1228000000e-03 -7.1442000000e-03  2.3886000000e-03  1.6615000000e-03  1.4140000000e-04 -7.2820000000e-04 -8.0417000000e-03  5.0166000000e-03 -4.5658000000e-03  1.1570000000e-03 -3.8519000000e-03 -1.0575000000e-03  6.4220000000e-04  5.8153000000e-03  5.4244000000e-03 -1.5419000000e-03  2.2800000000e-05
+
+JOB 36
+COORDS  9.5971800000e-01 -6.3585300000e-01 -8.8321700000e-01  1.3758710000e+00  1.9351100000e-01 -1.1181720000e+00  4.6678200000e-01 -8.8679900000e-01 -1.6644160000e+00 -9.3935800000e-01  6.1149900000e-01  9.9837500000e-01 -1.7684170000e+00  8.9239300000e-01  6.1108600000e-01 -4.6766500000e-01  1.9299700000e-01  2.7824000000e-01
+ENERGY -1.526598283664e+02
+FORCES  3.7555000000e-03  6.5660000000e-04 -5.0028000000e-03 -4.2073000000e-03 -4.2037000000e-03  1.5270000000e-03  1.0048000000e-03  2.7115000000e-03  5.1428000000e-03  3.6885000000e-03 -4.6714000000e-03 -6.2755000000e-03  3.5035000000e-03 -1.4372000000e-03  4.2800000000e-05 -7.7449000000e-03  6.9442000000e-03  4.5657000000e-03
+
+JOB 37
+COORDS  1.9041200000e-01  1.1004610000e+00  8.6916000000e-01 -6.9976200000e-01  1.4264970000e+00  1.0015350000e+00  6.6543800000e-01  1.3742920000e+00  1.6537610000e+00 -2.1167400000e-01 -1.1453350000e+00 -9.5797700000e-01  5.2523500000e-01 -1.7360460000e+00 -8.0223000000e-01 -2.4243000000e-02 -3.7952100000e-01 -4.1517800000e-01
+ENERGY -1.526611018121e+02
+FORCES -7.4170000000e-04  1.0716000000e-03  3.6506000000e-03  4.8256000000e-03 -1.8841000000e-03 -5.4240000000e-04 -3.1074000000e-03 -2.4910000000e-04 -3.0115000000e-03  4.9812000000e-03  5.4297000000e-03  6.7150000000e-03 -2.0718000000e-03  1.5473000000e-03 -4.7600000000e-04 -3.8859000000e-03 -5.9154000000e-03 -6.3357000000e-03
+
+JOB 38
+COORDS  6.5915700000e-01 -1.2227300000e+00  4.5075000000e-01  8.9597700000e-01 -1.2087950000e+00  1.3780870000e+00 -1.7897500000e-01 -1.6843040000e+00  4.2400900000e-01 -6.4692000000e-01  1.3034870000e+00 -5.3563300000e-01  1.9319900000e-01  8.4475800000e-01 -5.3553100000e-01 -1.1740900000e+00  8.3893500000e-01  1.1437800000e-01
+ENERGY -1.526579186774e+02
+FORCES -2.3693000000e-03 -3.0476000000e-03  3.2639000000e-03 -1.9534000000e-03  4.8350000000e-04 -4.4583000000e-03  3.3501000000e-03  3.4754000000e-03  8.5900000000e-04  4.6418000000e-03 -8.4977000000e-03  4.4757000000e-03 -2.8829000000e-03  5.9809000000e-03 -2.4429000000e-03 -7.8630000000e-04  1.6055000000e-03 -1.6974000000e-03
+
+JOB 39
+COORDS -3.3361100000e-01  1.1365360000e+00  9.7812800000e-01 -1.2113820000e+00  7.5564400000e-01  1.0040360000e+00  2.1984500000e-01  4.4014400000e-01  6.2463500000e-01  3.3115900000e-01 -1.0908990000e+00 -8.9821800000e-01  1.2465260000e+00 -9.5568800000e-01 -1.1432780000e+00 -1.6018800000e-01 -9.1957500000e-01 -1.7016220000e+00
+ENERGY -1.526591567364e+02
+FORCES -8.7130000000e-04 -9.8828000000e-03 -5.2884000000e-03  1.6726000000e-03  2.5571000000e-03  3.3990000000e-04  1.5520000000e-03  6.4144000000e-03  4.7893000000e-03 -1.1620000000e-04  1.7103000000e-03 -5.9121000000e-03 -4.7595000000e-03  7.1700000000e-04  2.5417000000e-03  2.5225000000e-03 -1.5160000000e-03  3.5296000000e-03
+
+JOB 40
+COORDS -5.2220500000e-01 -7.0155800000e-01  1.1437840000e+00 -5.6369200000e-01  1.1980900000e-01  1.6335470000e+00 -3.7270200000e-01 -1.3714840000e+00  1.8109260000e+00  4.6940000000e-01  6.7357800000e-01 -1.2658880000e+00  1.2799680000e+00  1.1786240000e+00 -1.3302390000e+00  4.2987100000e-01  3.9890200000e-01 -3.4979800000e-01
+ENERGY -1.526576779550e+02
+FORCES -1.3437000000e-03 -2.3780000000e-03  4.9689000000e-03  3.0928000000e-03 -3.5374000000e-03 -4.8018000000e-03 -1.4017000000e-03  3.6424000000e-03 -2.4546000000e-03  8.0200000000e-04 -3.7028000000e-03  5.3854000000e-03 -3.0678000000e-03 -2.0990000000e-03  1.3521000000e-03  1.9184000000e-03  8.0748000000e-03 -4.4499000000e-03
+
+JOB 41
+COORDS  1.0254960000e+00  5.5595000000e-02 -1.0239120000e+00  1.4214160000e+00  8.6670100000e-01 -7.0518700000e-01  1.0813070000e+00  1.1978400000e-01 -1.9773250000e+00 -1.0664510000e+00 -1.5306300000e-01  1.1099380000e+00 -1.4521020000e+00  7.0561400000e-01  9.3621600000e-01 -3.8822000000e-01 -2.5118200000e-01  4.4165100000e-01
+ENERGY -1.526604621168e+02
+FORCES  2.0697000000e-03  2.4739000000e-03 -4.0069000000e-03 -3.3485000000e-03 -3.8372000000e-03 -1.5346000000e-03  7.0260000000e-04  8.5250000000e-04  4.4721000000e-03  4.0413000000e-03  1.8352000000e-03 -7.9617000000e-03  1.4151000000e-03 -2.2014000000e-03  9.6050000000e-04 -4.8802000000e-03  8.7710000000e-04  8.0706000000e-03
+
+JOB 42
+COORDS -6.7604700000e-01 -1.1330530000e+00 -7.9014200000e-01 -5.3435000000e-01 -2.3959000000e-01 -4.7728600000e-01 -1.7370600000e-01 -1.1851030000e+00 -1.6032690000e+00  6.7595200000e-01  1.0841210000e+00  7.6328900000e-01  9.2523100000e-01  8.2828000000e-01  1.6513420000e+00 -2.4362200000e-01  1.3396170000e+00  8.3635000000e-01
+ENERGY -1.526559796819e+02
+FORCES  7.4316000000e-03  5.6918000000e-03  3.6920000000e-04 -7.2908000000e-03 -1.2724000000e-03 -1.4546000000e-03 -2.1997000000e-03 -3.2960000000e-04  2.5140000000e-03 -5.5700000000e-04 -1.4620000000e-03  6.5543000000e-03 -1.0979000000e-03  2.4446000000e-03 -3.8198000000e-03  3.7138000000e-03 -5.0724000000e-03 -4.1631000000e-03
+
+JOB 43
+COORDS -1.5314600000e-01  1.3439590000e+00 -5.7185900000e-01 -1.3911000000e-01  2.2023370000e+00 -1.4851400000e-01  5.4333700000e-01  1.3880600000e+00 -1.2269920000e+00  1.1478200000e-01 -1.4010480000e+00  6.5682300000e-01  3.5907600000e-01 -6.2892000000e-01  1.4655700000e-01 -1.5044800000e-01 -2.0471840000e+00  2.3070000000e-03
+ENERGY -1.526582026865e+02
+FORCES  3.8620000000e-04  6.2801000000e-03  7.1710000000e-04  1.5420000000e-04 -3.4570000000e-03 -3.1047000000e-03 -2.9123000000e-03 -2.7247000000e-03  4.4458000000e-03 -2.3560000000e-03  5.8509000000e-03 -5.1305000000e-03  3.4635000000e-03 -8.3514000000e-03  1.1938000000e-03  1.2644000000e-03  2.4021000000e-03  1.8785000000e-03
+
+JOB 44
+COORDS -6.0834000000e-02 -1.4207250000e+00  6.4708100000e-01 -1.2813400000e-01 -5.9216300000e-01  1.7254100000e-01  3.9955300000e-01 -1.1972850000e+00  1.4560010000e+00  6.3510000000e-02  1.3219270000e+00 -6.1728900000e-01  1.4364800000e-01  1.1169950000e+00 -1.5488540000e+00 -4.5911000000e-01  2.1234630000e+00 -5.9198400000e-01
+ENERGY -1.526611436894e+02
+FORCES  1.6911000000e-03  9.4022000000e-03 -9.6500000000e-05  1.6500000000e-05 -9.3698000000e-03  1.0573000000e-03 -1.5519000000e-03 -1.3773000000e-03 -1.9705000000e-03 -1.9554000000e-03  4.2989000000e-03 -3.1841000000e-03 -1.2069000000e-03  3.1190000000e-04  5.2738000000e-03  3.0066000000e-03 -3.2658000000e-03 -1.0800000000e-03
+
+JOB 45
+COORDS -5.2630900000e-01  7.4073600000e-01  1.2795470000e+00 -1.0414320000e+00  1.3441930000e+00  7.4408500000e-01  2.3762000000e-02  2.7241900000e-01  6.5158900000e-01  5.1462200000e-01 -7.2661700000e-01 -1.1460060000e+00  3.5275000000e-01 -2.6531000000e-01 -1.9689430000e+00  8.7209500000e-01 -1.5737650000e+00 -1.4120590000e+00
+ENERGY -1.526600970434e+02
+FORCES  1.6441000000e-03 -3.0187000000e-03 -8.3456000000e-03  1.4601000000e-03 -1.3368000000e-03  1.6478000000e-03 -2.5540000000e-03  4.9965000000e-03  6.9506000000e-03  4.9550000000e-04 -2.4942000000e-03 -3.9464000000e-03  6.3070000000e-04 -2.2402000000e-03  3.7505000000e-03 -1.6764000000e-03  4.0933000000e-03 -5.6900000000e-05
+
+JOB 46
+COORDS  2.7768400000e-01 -5.7690000000e-01 -1.3262180000e+00 -5.3820000000e-01 -8.4229200000e-01 -1.7506390000e+00  9.2570400000e-01 -5.7688100000e-01 -2.0307050000e+00 -2.4831000000e-01  6.4872300000e-01  1.4099580000e+00  5.5483000000e-02  1.9635500000e-01  6.2299800000e-01 -8.6377600000e-01  3.7927000000e-02  1.8153730000e+00
+ENERGY -1.526608458914e+02
+FORCES -1.0840000000e-04 -1.5110000000e-04 -5.2380000000e-03  4.0618000000e-03  7.2530000000e-04  1.7363000000e-03 -3.7645000000e-03 -5.5380000000e-04  2.1586000000e-03  7.1560000000e-04 -5.2410000000e-03 -5.7510000000e-03 -2.4703000000e-03  3.2685000000e-03  8.7906000000e-03  1.5658000000e-03  1.9522000000e-03 -1.6965000000e-03
+
+JOB 47
+COORDS  4.8746000000e-02 -1.2103630000e+00  8.4794500000e-01 -3.9639800000e-01 -2.0129350000e+00  1.1198950000e+00  5.6627400000e-01 -9.5268000000e-01  1.6108320000e+00 -3.7017000000e-02  1.3031880000e+00 -8.9980200000e-01  1.7043200000e-01  6.9224900000e-01 -1.6068740000e+00 -5.1893900000e-01  7.7705100000e-01 -2.6170900000e-01
+ENERGY -1.526592759826e+02
+FORCES  2.1254000000e-03 -2.6807000000e-03  4.6860000000e-03  2.2415000000e-03  3.7742000000e-03 -1.2750000000e-03 -3.2451000000e-03 -1.6579000000e-03 -3.1482000000e-03 -4.8150000000e-04 -9.2943000000e-03  1.9164000000e-03 -6.4880000000e-04  3.2979000000e-03  7.9500000000e-04  8.5000000000e-06  6.5607000000e-03 -2.9742000000e-03
+
+JOB 48
+COORDS  1.5330460000e+00  2.3865800000e-01  2.5647600000e-01  1.9354310000e+00 -6.2801600000e-01  3.1298900000e-01  6.1364700000e-01  6.3751000000e-02  5.5616000000e-02 -1.4540890000e+00 -2.0795600000e-01 -2.8205200000e-01 -1.9753910000e+00  5.6030400000e-01 -5.1497400000e-01 -1.8133820000e+00 -4.9638800000e-01  5.5696400000e-01
+ENERGY -1.526615921286e+02
+FORCES -6.7067000000e-03 -3.9671000000e-03 -2.5731000000e-03 -1.6681000000e-03  2.6322000000e-03  2.1560000000e-04  1.0048000000e-02  1.2832000000e-03  3.2283000000e-03 -6.0217000000e-03  2.5058000000e-03  1.5841000000e-03  1.9641000000e-03 -4.0133000000e-03  1.6659000000e-03  2.3845000000e-03  1.5592000000e-03 -4.1207000000e-03
+
+JOB 49
+COORDS  8.2733900000e-01 -1.1412340000e+00 -6.0755700000e-01  6.6901700000e-01 -1.4168740000e+00  2.9532100000e-01  1.7745380000e+00 -1.0121950000e+00 -6.5649600000e-01 -9.1399900000e-01  1.2058640000e+00  5.6203400000e-01 -7.5541300000e-01  5.4999200000e-01  1.2409410000e+00 -3.5438400000e-01  9.3721100000e-01 -1.6658700000e-01
+ENERGY -1.526568260452e+02
+FORCES  4.1647000000e-03 -3.5090000000e-03  3.1291000000e-03 -8.7200000000e-05  3.3156000000e-03 -3.4519000000e-03 -4.9283000000e-03  7.3200000000e-05  4.9110000000e-04  4.4527000000e-03 -6.4985000000e-03 -3.0081000000e-03 -2.9380000000e-04  1.4263000000e-03 -1.1835000000e-03 -3.3082000000e-03  5.1923000000e-03  4.0233000000e-03
+
+JOB 50
+COORDS -2.4864800000e-01 -1.0685960000e+00  1.1450400000e+00 -9.4906300000e-01 -1.6884570000e+00  9.4151300000e-01 -2.9661700000e-01 -4.1479000000e-01  4.4756700000e-01  3.0070600000e-01  1.0907950000e+00 -1.0287660000e+00  9.6924100000e-01  9.3680200000e-01 -1.6962830000e+00 -5.2744000000e-01  9.0407200000e-01 -1.4709650000e+00
+ENERGY -1.526582213218e+02
+FORCES -1.7430000000e-04  3.5959000000e-03 -4.9342000000e-03  2.4564000000e-03  2.8908000000e-03 -3.1120000000e-04 -4.9245000000e-03 -6.9653000000e-03  4.7809000000e-03  2.6219000000e-03  8.1980000000e-04 -6.5965000000e-03 -3.8652000000e-03  1.3226000000e-03  2.4424000000e-03  3.8857000000e-03 -1.6638000000e-03  4.6186000000e-03
+
+JOB 51
+COORDS  5.4822300000e-01 -3.2853100000e-01  1.4952580000e+00  1.2088080000e+00 -1.0084980000e+00  1.3629550000e+00  3.8402800000e-01  2.0260000000e-02  6.1912000000e-01 -5.6084000000e-01  3.6884800000e-01 -1.3690700000e+00 -2.1405200000e-01  6.8189500000e-01 -2.2045170000e+00 -1.2128430000e+00 -2.8880600000e-01 -1.6111770000e+00
+ENERGY -1.526607320929e+02
+FORCES  3.5720000000e-04  3.0220000000e-04 -7.2149000000e-03 -2.2203000000e-03  2.0622000000e-03  4.4660000000e-04  3.1640000000e-03 -2.5300000000e-03  8.6425000000e-03 -2.7994000000e-03 -1.0068000000e-03 -5.4832000000e-03 -1.9241000000e-03 -1.9789000000e-03  3.4297000000e-03  3.4226000000e-03  3.1513000000e-03  1.7930000000e-04
+
+JOB 52
+COORDS -1.5630400000e-01  1.4176100000e-01 -1.6416180000e+00 -1.0282070000e+00  4.5719500000e-01 -1.4038800000e+00  2.0094300000e-01 -2.1268700000e-01 -8.2738700000e-01  2.1549400000e-01 -9.5052000000e-02  1.5432710000e+00  6.4905200000e-01 -8.7257100000e-01  1.8950150000e+00 -6.8604700000e-01 -1.5978700000e-01  1.8583360000e+00
+ENERGY -1.526586440413e+02
+FORCES -9.3770000000e-04  7.9170000000e-04  8.5082000000e-03  2.0344000000e-03 -1.1526000000e-03 -1.5470000000e-03 -9.9740000000e-04 -8.8770000000e-04 -8.0634000000e-03 -1.8989000000e-03 -2.4684000000e-03  6.0209000000e-03 -2.3059000000e-03  3.5542000000e-03 -2.6021000000e-03  4.1055000000e-03  1.6280000000e-04 -2.3166000000e-03
+
+JOB 53
+COORDS -1.2780930000e+00 -3.2326500000e-01 -8.6082000000e-01 -1.9762880000e+00 -7.2873600000e-01 -1.3749690000e+00 -1.2234230000e+00 -8.5647500000e-01 -6.7769000000e-02  1.3297070000e+00  3.9106900000e-01  9.0541800000e-01  8.9378900000e-01  9.4209000000e-01  2.5535400000e-01  1.4572020000e+00 -4.4774500000e-01  4.6228200000e-01
+ENERGY -1.526580192040e+02
+FORCES -4.1219000000e-03 -3.5358000000e-03  1.4550000000e-03  3.0308000000e-03  1.3014000000e-03  2.6552000000e-03  1.4300000000e-04  1.5108000000e-03 -4.8736000000e-03 -1.6654000000e-03 -1.6100000000e-05 -6.8994000000e-03  3.4199000000e-03 -1.3804000000e-03  4.4075000000e-03 -8.0640000000e-04  2.1200000000e-03  3.2553000000e-03
+
+JOB 54
+COORDS -8.4071100000e-01  1.3886350000e+00 -1.8854900000e-01 -4.0155800000e-01  6.2291200000e-01 -5.5874300000e-01 -1.7400110000e+00  1.3287080000e+00 -5.1088300000e-01  8.7670400000e-01 -1.3141340000e+00  1.6461100000e-01  1.4646670000e+00 -1.4276740000e+00  9.1136400000e-01  7.8249000000e-02 -1.7789010000e+00  4.1499800000e-01
+ENERGY -1.526581050586e+02
+FORCES  1.3475000000e-03 -4.4486000000e-03 -2.5567000000e-03 -6.0683000000e-03  5.5521000000e-03 -2.3840000000e-04  3.4218000000e-03 -7.0800000000e-04  1.5611000000e-03  8.2270000000e-04 -2.2718000000e-03  6.5750000000e-03 -2.5487000000e-03 -7.8100000000e-04 -3.1875000000e-03  3.0251000000e-03  2.6572000000e-03 -2.1535000000e-03
+
+JOB 55
+COORDS -4.2390700000e-01  7.5104400000e-01 -1.4460520000e+00  1.4081300000e-01  1.3333610000e+00 -9.3789000000e-01 -1.1082350000e+00  4.8448400000e-01 -8.3215300000e-01  4.4470100000e-01 -7.4042100000e-01  1.4473730000e+00 -3.6669200000e-01 -1.1465550000e+00  1.1425310000e+00  1.0347710000e+00 -7.8914200000e-01  6.9525900000e-01
+ENERGY -1.526560048149e+02
+FORCES -1.0834000000e-03  3.2102000000e-03  5.9744000000e-03 -1.4791000000e-03 -2.8743000000e-03 -3.2977000000e-03  2.4333000000e-03 -8.2550000000e-04 -2.9525000000e-03 -3.1000000000e-05 -3.6322000000e-03 -5.4413000000e-03  2.1470000000e-03  3.0525000000e-03  1.2948000000e-03 -1.9868000000e-03  1.0692000000e-03  4.4222000000e-03
+
+JOB 56
+COORDS  6.9999700000e-01 -4.2656100000e-01 -1.4643670000e+00  1.5918830000e+00 -6.7839100000e-01 -1.2248820000e+00  3.5595800000e-01 -1.1836320000e+00 -1.9384060000e+00 -7.3242900000e-01  4.0474900000e-01  1.4805830000e+00 -5.1222800000e-01  9.5700400000e-01  7.3041100000e-01 -8.6801500000e-01  1.0208080000e+00  2.2005270000e+00
+ENERGY -1.526565933388e+02
+FORCES  1.9398000000e-03 -5.7796000000e-03 -3.1580000000e-04 -3.3982000000e-03  1.3194000000e-03 -1.6006000000e-03  1.9243000000e-03  3.0861000000e-03  1.3437000000e-03  6.9410000000e-04  4.1441000000e-03 -2.3893000000e-03 -2.0012000000e-03 -2.7210000000e-04  5.9595000000e-03  8.4120000000e-04 -2.4979000000e-03 -2.9975000000e-03
+
+JOB 57
+COORDS -2.0612500000e-01 -1.5327800000e+00 -9.0160900000e-01 -7.2708200000e-01 -1.9431440000e+00 -2.1136500000e-01 -6.8867800000e-01 -7.3701700000e-01 -1.1255190000e+00  2.1804700000e-01  1.5462390000e+00  9.1051200000e-01  1.1735280000e+00  1.5757340000e+00  9.5969000000e-01  3.3372000000e-02  9.4889000000e-01  1.8573500000e-01
+ENERGY -1.526546326833e+02
+FORCES -5.6263000000e-03 -1.3285000000e-03  1.4870000000e-03  2.5137000000e-03  1.9284000000e-03 -3.5572000000e-03  4.4573000000e-03 -1.0170000000e-03  3.1268000000e-03  5.0186000000e-03 -3.6869000000e-03 -2.6487000000e-03 -3.9670000000e-03  6.8660000000e-04  2.0940000000e-04 -2.3963000000e-03  3.4174000000e-03  1.3828000000e-03
+
+JOB 58
+COORDS -8.3369500000e-01  1.5869650000e+00 -4.8087600000e-01 -8.9085700000e-01  8.5330500000e-01 -1.0930100000e+00 -1.5012800000e+00  1.4011400000e+00  1.7945000000e-01  8.6062000000e-01 -1.5861390000e+00  5.1890100000e-01  9.7232800000e-01 -1.6407080000e+00 -4.3019100000e-01  1.0030980000e+00 -6.6222100000e-01  7.2458700000e-01
+ENERGY -1.526561622043e+02
+FORCES -5.0118000000e-03 -3.3639000000e-03 -9.8300000000e-05  1.4837000000e-03  3.0336000000e-03  2.4474000000e-03  3.2246000000e-03  1.1644000000e-03 -2.7583000000e-03  2.2659000000e-03  4.3888000000e-03 -2.5813000000e-03 -1.3808000000e-03  1.8070000000e-04  3.4603000000e-03 -5.8160000000e-04 -5.4036000000e-03 -4.6990000000e-04
+
+JOB 59
+COORDS  9.5433300000e-01 -1.4180980000e+00  7.5032200000e-01  1.8004730000e+00 -1.0888780000e+00  1.0534600000e+00  4.2398600000e-01 -6.3210500000e-01  6.1925100000e-01 -9.4932700000e-01  1.4209890000e+00 -7.6917800000e-01 -1.5080890000e+00  1.0934640000e+00 -6.4377000000e-02 -7.9197900000e-01  6.5777300000e-01 -1.3250340000e+00
+ENERGY -1.526558545938e+02
+FORCES  2.4146000000e-03  5.5662000000e-03  1.0486000000e-03 -3.3828000000e-03 -1.7784000000e-03 -1.0804000000e-03  6.9940000000e-04 -5.1741000000e-03  4.0870000000e-04 -4.1644000000e-03 -2.8675000000e-03 -2.0083000000e-03  4.4617000000e-03  7.0900000000e-04 -2.5001000000e-03 -2.8500000000e-05  3.5448000000e-03  4.1314000000e-03
+
+JOB 60
+COORDS  4.5511900000e-01  1.3152350000e+00  1.2579520000e+00 -1.9249400000e-01  1.1236400000e+00  1.9362740000e+00  1.1490890000e+00  6.7145200000e-01  1.4000130000e+00 -4.8954800000e-01 -1.2122830000e+00 -1.2916740000e+00  3.9671600000e-01 -1.3466670000e+00 -1.6273960000e+00 -8.2429700000e-01 -2.0956900000e+00 -1.1375110000e+00
+ENERGY -1.526528523403e+02
+FORCES -1.1270000000e-03 -4.7895000000e-03  2.0395000000e-03  2.8348000000e-03  1.2002000000e-03 -1.9988000000e-03 -1.9172000000e-03  2.8835000000e-03 -2.1770000000e-04  2.3795000000e-03 -3.3967000000e-03 -1.3904000000e-03 -3.5332000000e-03  2.0400000000e-04  1.6881000000e-03  1.3631000000e-03  3.8985000000e-03 -1.2080000000e-04
+
+JOB 61
+COORDS  1.7809800000e-01  1.3486180000e+00 -1.2423820000e+00 -4.3259600000e-01  2.0852520000e+00 -1.2168060000e+00  1.0401540000e+00  1.7546020000e+00 -1.3333110000e+00 -1.8570200000e-01 -1.4480720000e+00  1.2952180000e+00 -1.9383000000e-02 -5.1280900000e-01  1.1775130000e+00 -5.4090100000e-01 -1.7363410000e+00  4.5440500000e-01
+ENERGY -1.526574803735e+02
+FORCES  1.4411000000e-03  5.7559000000e-03 -2.1100000000e-03  2.7587000000e-03 -3.3227000000e-03  2.0460000000e-04 -3.9455000000e-03 -1.6074000000e-03  6.4990000000e-04 -4.6950000000e-04  3.8828000000e-03 -5.6647000000e-03 -6.5150000000e-04 -4.4756000000e-03  3.0897000000e-03  8.6680000000e-04 -2.3300000000e-04  3.8304000000e-03
+
+JOB 62
+COORDS  1.2963700000e-01 -1.8252660000e+00 -5.8525100000e-01  4.6193200000e-01 -2.7228230000e+00 -5.9947400000e-01  3.6297000000e-01 -1.4693600000e+00 -1.4426410000e+00 -1.5325000000e-01  1.8065590000e+00  6.8432800000e-01 -8.5509700000e-01  1.8394160000e+00  3.4280000000e-02  3.7572400000e-01  2.5841040000e+00  5.0588700000e-01
+ENERGY -1.526528798117e+02
+FORCES  2.9175000000e-03 -1.7898000000e-03 -3.0647000000e-03 -1.3832000000e-03  3.7321000000e-03  1.0630000000e-04 -1.4213000000e-03 -1.5618000000e-03  3.0915000000e-03 -1.1629000000e-03  2.5189000000e-03 -3.1469000000e-03  3.0530000000e-03  4.7270000000e-04  2.3737000000e-03 -2.0030000000e-03 -3.3722000000e-03  6.4020000000e-04
+
+JOB 63
+COORDS -1.0757590000e+00 -1.6437650000e+00 -1.6499300000e-01 -1.7637100000e+00 -2.1491450000e+00 -5.9806000000e-01 -1.4415060000e+00 -1.4260250000e+00  6.9235800000e-01  1.0845360000e+00  1.6557400000e+00  1.9167100000e-01  1.1054830000e+00  1.3115170000e+00 -7.0124800000e-01  1.9247460000e+00  2.1021470000e+00  2.9655300000e-01
+ENERGY -1.526550633750e+02
+FORCES -4.2949000000e-03 -7.1650000000e-04  2.7144000000e-03  2.9088000000e-03  2.1197000000e-03  1.6135000000e-03  9.1780000000e-04 -1.7590000000e-03 -3.7320000000e-03  3.1775000000e-03 -6.6160000000e-04 -3.7418000000e-03  6.6910000000e-04  2.7723000000e-03  3.5014000000e-03 -3.3782000000e-03 -1.7548000000e-03 -3.5560000000e-04
+
+JOB 64
+COORDS  1.1666910000e+00  1.6636630000e+00 -4.7376000000e-02  1.3840420000e+00  2.3206750000e+00 -7.0868200000e-01  1.1841820000e+00  2.1423690000e+00  7.8133700000e-01 -1.1612510000e+00 -1.7596370000e+00 -1.7617000000e-02 -1.1422760000e+00 -8.0783400000e-01  8.2100000000e-02 -1.4923170000e+00 -2.0822000000e+00  8.2058300000e-01
+ENERGY -1.526553284576e+02
+FORCES  2.3001000000e-03  5.0992000000e-03  1.0730000000e-04 -9.4010000000e-04 -2.5944000000e-03  3.0166000000e-03 -5.7370000000e-04 -2.2090000000e-03 -3.4254000000e-03 -8.2200000000e-05  3.5358000000e-03  3.4180000000e-03 -1.9156000000e-03 -5.0528000000e-03  6.3100000000e-05  1.2116000000e-03  1.2213000000e-03 -3.1796000000e-03
+
+JOB 65
+COORDS -1.5939000000e-01 -1.7326830000e+00 -1.2711420000e+00  6.7825900000e-01 -1.3943920000e+00 -1.5875810000e+00 -7.7418000000e-02 -1.7226750000e+00 -3.1751100000e-01  1.3402500000e-01  1.7205570000e+00  1.1736890000e+00  2.5355000000e-01  2.3042430000e+00  1.9228600000e+00 -4.0091500000e-01  1.0024440000e+00  1.5118970000e+00
+ENERGY -1.526542414485e+02
+FORCES  4.3774000000e-03  2.3284000000e-03  2.2528000000e-03 -3.4133000000e-03 -2.1691000000e-03  9.9990000000e-04 -1.0461000000e-03 -2.0040000000e-04 -3.2559000000e-03 -2.4001000000e-03  3.7560000000e-04  4.5434000000e-03 -4.8090000000e-04 -2.5188000000e-03 -3.1724000000e-03  2.9630000000e-03  2.1842000000e-03 -1.3677000000e-03
+
+JOB 66
+COORDS -2.5133400000e-01 -6.5036900000e-01 -2.0389890000e+00  2.2040800000e-01 -1.7120800000e-01 -2.7202360000e+00 -6.2557300000e-01  3.1621000000e-02 -1.4812550000e+00  2.6951300000e-01  6.3279400000e-01  2.0126790000e+00  4.4455600000e-01 -2.9428800000e-01  1.8510870000e+00 -3.2230700000e-01  6.3770800000e-01  2.7649800000e+00
+ENERGY -1.526559771690e+02
+FORCES  4.9550000000e-04  5.4025000000e-03 -3.5940000000e-04 -1.9486000000e-03 -2.0303000000e-03  2.5188000000e-03  1.2406000000e-03 -3.5380000000e-03 -3.0308000000e-03 -1.0527000000e-03 -4.1571000000e-03  3.1416000000e-03 -1.0957000000e-03  4.3270000000e-03  9.3070000000e-04  2.3608000000e-03 -4.0000000000e-06 -3.2009000000e-03
+
+JOB 67
+COORDS  4.1398500000e-01  1.1212830000e+00 -1.8444240000e+00 -3.5748000000e-02  1.8933530000e+00 -2.1877580000e+00  1.2614520000e+00  1.4505340000e+00 -1.5450470000e+00 -3.7998900000e-01 -1.1686150000e+00  1.8108760000e+00 -7.0041400000e-01 -7.2914900000e-01  2.5985500000e+00 -1.0498130000e+00 -1.8227590000e+00  1.6117210000e+00
+ENERGY -1.526533632878e+02
+FORCES  1.8852000000e-03  4.1262000000e-03  7.1700000000e-04  1.6693000000e-03 -3.1681000000e-03  1.3439000000e-03 -3.3538000000e-03 -9.6430000000e-04 -1.7491000000e-03 -4.3693000000e-03 -7.3720000000e-04  1.4924000000e-03  1.4549000000e-03 -1.7058000000e-03 -3.0778000000e-03  2.7137000000e-03  2.4493000000e-03  1.2736000000e-03
+
+JOB 68
+COORDS  1.0205730000e+00  1.7697640000e+00  8.8116700000e-01  1.0012390000e+00  1.9713560000e+00  1.8166980000e+00  1.9100130000e+00  1.4538160000e+00  7.2208600000e-01 -1.0493700000e+00 -1.6956230000e+00 -9.2295000000e-01 -1.1339890000e+00 -2.2330980000e+00 -1.3542700000e-01 -1.2316500000e+00 -2.2972210000e+00 -1.6448130000e+00
+ENERGY -1.526530715951e+02
+FORCES  3.4286000000e-03 -9.1270000000e-04  2.6118000000e-03 -2.2200000000e-05 -8.8650000000e-04 -3.7546000000e-03 -3.4195000000e-03  1.5715000000e-03  9.1790000000e-04 -1.2194000000e-03 -4.2645000000e-03  5.8760000000e-04  3.6980000000e-04  1.9307000000e-03 -3.2913000000e-03  8.6270000000e-04  2.5617000000e-03  2.9287000000e-03
+
+JOB 69
+COORDS  7.0458400000e-01 -2.1162700000e+00 -3.5619200000e-01  6.2873700000e-01 -2.9778910000e+00  5.3793000000e-02  1.6009430000e+00 -2.0877830000e+00 -6.9080000000e-01 -7.7634000000e-01  2.2168510000e+00  3.7813000000e-01 -2.7967100000e-01  2.1412150000e+00 -4.3662900000e-01 -7.9266600000e-01  1.3278720000e+00  7.3264600000e-01
+ENERGY -1.526557195544e+02
+FORCES  3.4988000000e-03 -4.2876000000e-03  1.7320000000e-04  4.2680000000e-04  3.6128000000e-03 -1.7092000000e-03 -3.7936000000e-03  8.5200000000e-05  1.3915000000e-03  1.9781000000e-03 -4.9708000000e-03 -2.0823000000e-03 -1.8026000000e-03  1.0198000000e-03  3.0807000000e-03 -3.0770000000e-04  4.5405000000e-03 -8.5400000000e-04
+
+JOB 70
+COORDS -1.1765000000e-01  1.7999530000e+00 -1.4904430000e+00  5.4708900000e-01  1.7327650000e+00 -2.1758910000e+00 -9.0047300000e-01  2.1111010000e+00 -1.9449820000e+00  1.2038100000e-01 -1.7645160000e+00  1.5039240000e+00  7.7740200000e-01 -2.4597110000e+00  1.5394160000e+00 -4.4679900000e-01 -1.9316900000e+00  2.2566470000e+00
+ENERGY -1.526529095047e+02
+FORCES -4.5560000000e-04  3.2410000000e-04 -4.4275000000e-03 -2.6533000000e-03  4.8500000000e-04  2.6911000000e-03  3.1587000000e-03 -1.1164000000e-03  1.8861000000e-03  3.1040000000e-04 -3.0853000000e-03  3.1806000000e-03 -2.6501000000e-03  2.8204000000e-03 -2.4670000000e-04  2.2899000000e-03  5.7220000000e-04 -3.0836000000e-03
+
+JOB 71
+COORDS -2.1319400000e+00  6.0342000000e-01  1.2276450000e+00 -1.4809640000e+00  3.5125200000e-01  1.8825290000e+00 -2.4085580000e+00 -2.2376100000e-01  8.3332700000e-01  2.1085000000e+00 -4.9130000000e-01 -1.2989540000e+00  2.4417350000e+00 -1.3886190000e+00 -1.2965830000e+00  1.7900980000e+00 -3.5118500000e-01 -4.0720300000e-01
+ENERGY -1.526536119700e+02
+FORCES  8.4470000000e-04 -4.2581000000e-03  9.4700000000e-04 -2.1749000000e-03  9.2890000000e-04 -2.9751000000e-03  1.3583000000e-03  3.3732000000e-03  1.8667000000e-03  1.2000000000e-04 -2.6735000000e-03  3.5098000000e-03 -1.5397000000e-03  3.6596000000e-03  7.7700000000e-05  1.3917000000e-03 -1.0301000000e-03 -3.4261000000e-03
+
+JOB 72
+COORDS -1.8872810000e+00  7.3653800000e-01 -1.4838140000e+00 -2.7181200000e+00  1.0085610000e+00 -1.0940170000e+00 -1.3719880000e+00  1.5414760000e+00 -1.5365400000e+00  1.8969750000e+00 -8.1664000000e-01  1.4068170000e+00  2.0442750000e+00 -1.2713480000e+00  2.2361400000e+00  1.8291560000e+00  1.0710000000e-01  1.6483460000e+00
+ENERGY -1.526533129169e+02
+FORCES -1.0354000000e-03  4.1024000000e-03  1.3564000000e-03  3.3978000000e-03 -1.0741000000e-03 -1.5561000000e-03 -2.1822000000e-03 -3.1099000000e-03  3.1840000000e-04 -9.0100000000e-05  1.7807000000e-03  4.2029000000e-03 -5.4570000000e-04  1.8721000000e-03 -3.3702000000e-03  4.5550000000e-04 -3.5712000000e-03 -9.5150000000e-04
+
+JOB 73
+COORDS -6.3209900000e-01 -2.2440590000e+00 -1.2148730000e+00 -4.2136200000e-01 -3.0218160000e+00 -6.9823300000e-01 -1.1672000000e-02 -1.5803860000e+00 -9.1347700000e-01  5.4259600000e-01  2.2034600000e+00  1.1541190000e+00  1.1856080000e+00  2.2023120000e+00  1.8631790000e+00  6.6603800000e-01  3.0473550000e+00  7.1956800000e-01
+ENERGY -1.526547601797e+02
+FORCES  3.2408000000e-03  2.8130000000e-04  3.6959000000e-03 -8.0490000000e-04  2.9383000000e-03 -2.1208000000e-03 -2.3051000000e-03 -3.5289000000e-03 -1.6783000000e-03  2.8048000000e-03  4.0767000000e-03  1.2770000000e-03 -2.5722000000e-03 -2.2560000000e-04 -3.0314000000e-03 -3.6330000000e-04 -3.5419000000e-03  1.8577000000e-03
+
+JOB 74
+COORDS  1.1613480000e+00 -1.7838950000e+00  1.7510360000e+00  1.9181720000e+00 -2.2172980000e+00  1.3565610000e+00  4.0536300000e-01 -2.1773440000e+00  1.3152420000e+00 -1.1649300000e+00  1.8529140000e+00 -1.7638640000e+00 -1.8826300000e+00  1.6614290000e+00 -1.1601490000e+00 -3.7214900000e-01  1.6640680000e+00 -1.2618020000e+00
+ENERGY -1.526546565114e+02
+FORCES  2.8760000000e-04 -3.9983000000e-03 -3.0808000000e-03 -3.1868000000e-03  1.9066000000e-03  1.5799000000e-03  3.0140000000e-03  2.0246000000e-03  1.7054000000e-03  4.8630000000e-04 -1.2567000000e-03  4.8241000000e-03  2.7764000000e-03  6.1040000000e-04 -2.6032000000e-03 -3.3776000000e-03  7.1330000000e-04 -2.4254000000e-03
+
+JOB 75
+COORDS  2.7168500000e-01 -2.6223610000e+00  1.4120400000e+00  3.2119500000e-01 -2.2996730000e+00  2.3118470000e+00  2.9889400000e-01 -1.8325210000e+00  8.7199800000e-01 -2.6651700000e-01  2.4951530000e+00 -1.4440760000e+00 -7.5693600000e-01  2.9079320000e+00 -7.3320700000e-01  7.3753000000e-02  3.2276350000e+00 -1.9578060000e+00
+ENERGY -1.526545939975e+02
+FORCES  3.6650000000e-04  4.7239000000e-03  1.0547000000e-03 -2.4120000000e-04 -1.3297000000e-03 -3.5061000000e-03 -1.3470000000e-04 -3.5097000000e-03  2.6241000000e-03 -6.9520000000e-04  4.9866000000e-03  3.5370000000e-04  2.1311000000e-03 -1.9015000000e-03 -2.7266000000e-03 -1.4265000000e-03 -2.9697000000e-03  2.2000000000e-03
+
+JOB 76
+COORDS -9.4680800000e-01 -2.4342660000e+00 -1.3421500000e+00 -1.7114870000e+00 -2.6349900000e+00 -8.0251200000e-01 -1.3094340000e+00 -2.0368980000e+00 -2.1338780000e+00  1.0229760000e+00  2.3951400000e+00  1.4147380000e+00  2.3923100000e-01  2.7373470000e+00  9.8477200000e-01  1.7276990000e+00  2.5465230000e+00  7.8491300000e-01
+ENERGY -1.526538574902e+02
+FORCES -4.5767000000e-03  7.0790000000e-04 -7.3940000000e-04  3.0523000000e-03  8.0180000000e-04 -2.3616000000e-03  1.5280000000e-03 -1.4910000000e-03  3.1921000000e-03 -2.2740000000e-04  1.5682000000e-03 -4.5130000000e-03  3.0825000000e-03 -1.2272000000e-03  1.8024000000e-03 -2.8588000000e-03 -3.5970000000e-04  2.6196000000e-03
+
+JOB 77
+COORDS  1.0186720000e+00  1.3503410000e+00 -2.6026480000e+00  1.2519780000e+00  2.1719900000e+00 -3.0347290000e+00  9.9138600000e-01  7.0637000000e-01 -3.3103120000e+00 -1.0403170000e+00 -1.3316910000e+00  2.7309360000e+00 -7.4288200000e-01 -2.2235770000e+00  2.5512030000e+00 -1.1574390000e+00 -9.3887500000e-01  1.8659450000e+00
+ENERGY -1.526544498716e+02
+FORCES  1.0365000000e-03  1.0187000000e-03 -4.7489000000e-03 -9.7590000000e-04 -3.4234000000e-03  1.7035000000e-03  1.8600000000e-05  2.5164000000e-03  3.0021000000e-03  9.7530000000e-04 -1.7105000000e-03 -4.5013000000e-03 -1.2686000000e-03  3.4708000000e-03  8.0730000000e-04  2.1420000000e-04 -1.8719000000e-03  3.7372000000e-03
+
+JOB 78
+COORDS -7.9688400000e-01 -3.3849200000e+00 -1.0209200000e-01 -1.6950210000e+00 -3.0542680000e+00 -8.6205000000e-02 -4.9015300000e-01 -3.2898170000e+00  7.9963100000e-01  8.0526600000e-01  3.3361520000e+00 -7.2800000000e-03  8.6290400000e-01  4.2479080000e+00  2.7839700000e-01  1.2410400000e+00  2.8396240000e+00  6.8539100000e-01
+ENERGY -1.526539710066e+02
+FORCES -2.4843000000e-03  1.9086000000e-03  3.5853000000e-03  3.6562000000e-03 -1.4815000000e-03  2.5200000000e-05 -1.1812000000e-03 -4.0280000000e-04 -3.6068000000e-03  2.1633000000e-03  1.6829000000e-03  3.8559000000e-03 -2.7680000000e-04 -3.7429000000e-03 -1.1402000000e-03 -1.8772000000e-03  2.0357000000e-03 -2.7193000000e-03
+
+JOB 79
+COORDS -2.6323700000e-01  3.3212250000e+00  1.4666730000e+00 -6.6001500000e-01  2.7482150000e+00  8.1058000000e-01 -5.0456100000e-01  4.2053900000e+00  1.1905430000e+00  3.1238600000e-01 -3.3100810000e+00 -1.4710380000e+00  8.8851700000e-01 -3.9117020000e+00 -9.9949100000e-01 -4.8079300000e-01 -3.2690860000e+00 -9.3679100000e-01
+ENERGY -1.526541935155e+02
+FORCES -2.4725000000e-03  1.2620000000e-03 -3.9581000000e-03  1.4932000000e-03  2.3432000000e-03  2.8070000000e-03  9.5070000000e-04 -3.5862000000e-03  1.1678000000e-03 -7.4600000000e-04 -2.3914000000e-03  4.1807000000e-03 -2.3961000000e-03  2.4277000000e-03 -1.9617000000e-03  3.1707000000e-03 -5.5300000000e-05 -2.2357000000e-03
+
+JOB 80
+COORDS  1.0574140000e+00  3.6717810000e+00  2.5925000000e-01  9.1594400000e-01  4.5243190000e+00  6.7082900000e-01  1.9366940000e+00  3.4144030000e+00  5.3647600000e-01 -1.0765000000e+00 -3.7580360000e+00 -2.5606200000e-01 -1.7254160000e+00 -3.0820000000e+00 -6.0834000000e-02 -8.0936900000e-01 -3.5809510000e+00 -1.1580120000e+00
+ENERGY -1.526543113756e+02
+FORCES  3.0789000000e-03  2.4579000000e-03  2.8697000000e-03  5.5730000000e-04 -3.4806000000e-03 -1.6905000000e-03 -3.6084000000e-03  1.0642000000e-03 -1.1663000000e-03 -1.5350000000e-03  3.6838000000e-03 -2.8839000000e-03  2.5812000000e-03 -2.8860000000e-03 -7.7280000000e-04 -1.0740000000e-03 -8.3940000000e-04  3.6438000000e-03
+
+JOB 81
+COORDS  2.2695400000e+00 -3.8048100000e-01  3.5095380000e+00  1.3780120000e+00 -3.8143200000e-01  3.8579760000e+00  2.6852620000e+00 -1.1430670000e+00  3.9118670000e+00 -2.2769020000e+00  4.8153900000e-01 -3.5689820000e+00 -1.4624050000e+00  1.0028700000e-01 -3.8968150000e+00 -2.5804500000e+00 -1.3632100000e-01 -2.9038960000e+00
+ENERGY -1.526540872743e+02
+FORCES -1.8969000000e-03 -3.0140000000e-03  3.1761000000e-03  3.6232000000e-03 -5.8400000000e-05 -1.4822000000e-03 -1.7209000000e-03  3.0868000000e-03 -1.6927000000e-03  2.2255000000e-03 -4.0222000000e-03  1.4379000000e-03 -3.3865000000e-03  1.5176000000e-03  1.2767000000e-03  1.1556000000e-03  2.4901000000e-03 -2.7158000000e-03
+
+JOB 82
+COORDS -4.0189500000e-01  2.6735050000e+00  3.8555670000e+00  2.8686400000e-01  3.1770840000e+00  4.2894450000e+00 -9.2672900000e-01  3.3299130000e+00  3.3974080000e+00  3.7766100000e-01 -2.8099600000e+00 -3.8664770000e+00  1.2474900000e+00 -2.4267280000e+00 -3.7535020000e+00 -2.2398200000e-01 -2.0713630000e+00 -3.7730360000e+00
+ENERGY -1.526540819051e+02
+FORCES  6.3650000000e-04  4.7388000000e-03  1.9000000000e-05 -2.8026000000e-03 -2.0556000000e-03 -1.8150000000e-03  2.1646000000e-03 -2.6966000000e-03  1.8063000000e-03  1.0823000000e-03  4.5734000000e-03  9.8320000000e-04 -3.5288000000e-03 -1.5604000000e-03 -5.3030000000e-04  2.4479000000e-03 -2.9996000000e-03 -4.6330000000e-04
+
+JOB 83
+COORDS  9.9874000000e-01  4.6291350000e+00 -2.7070010000e+00  4.1086200000e-01  4.2236160000e+00 -2.0696740000e+00  9.2770000000e-01  5.5681590000e+00 -2.5354820000e+00 -1.0129050000e+00 -4.6876450000e+00  2.6825840000e+00 -2.3954100000e-01 -4.4474420000e+00  3.1929190000e+00 -8.2142400000e-01 -4.3789550000e+00  1.7969900000e+00
+ENERGY -1.526541003049e+02
+FORCES -2.7149000000e-03  2.2416000000e-03  3.2671000000e-03  2.4250000000e-03  1.6048000000e-03 -2.5849000000e-03  2.9740000000e-04 -3.8469000000e-03 -6.8860000000e-04  3.9681000000e-03  2.1822000000e-03 -1.5523000000e-03 -3.1721000000e-03 -9.5460000000e-04 -2.0713000000e-03 -8.0340000000e-04 -1.2271000000e-03  3.6300000000e-03
+
+JOB 84
+COORDS  9.3851700000e-01 -4.9749530000e+00  3.6962960000e+00  1.4565370000e+00 -4.9545070000e+00  2.8916410000e+00  5.8174800000e-01 -4.0901820000e+00  3.7745810000e+00 -9.5037700000e-01  4.9008850000e+00 -3.7148970000e+00 -6.3688600000e-01  4.4562940000e+00 -2.9273100000e+00 -1.2210820000e+00  5.7668900000e+00 -3.4099590000e+00
+ENERGY -1.526540367929e+02
+FORCES  6.5520000000e-04  3.6570000000e-03 -2.9768000000e-03 -2.1146000000e-03 -6.1700000000e-05  3.2939000000e-03  1.4588000000e-03 -3.5882000000e-03 -3.1660000000e-04  1.5830000000e-04  1.7688000000e-03  4.4298000000e-03 -1.2700000000e-03  1.7767000000e-03 -3.1987000000e-03  1.1122000000e-03 -3.5527000000e-03 -1.2315000000e-03
+
+JOB 85
+COORDS  4.0315700000e-01  5.2508710000e+00  3.3095480000e+00  1.2450620000e+00  5.4265460000e+00  2.8893520000e+00  1.7109700000e-01  6.0757350000e+00  3.7361380000e+00 -4.0160700000e-01 -5.3127320000e+00 -3.3645510000e+00 -2.1508300000e-01 -5.6235050000e+00 -2.4786280000e+00 -1.2670180000e+00 -4.9088460000e+00 -3.2999620000e+00
+ENERGY -1.526541257385e+02
+FORCES  2.5021000000e-03  4.0969000000e-03  1.7100000000e-05 -3.4398000000e-03 -7.2140000000e-04  1.7208000000e-03  9.4020000000e-04 -3.3692000000e-03 -1.7362000000e-03 -2.7730000000e-03  4.2090000000e-04  3.9073000000e-03 -7.5380000000e-04  1.2414000000e-03 -3.6247000000e-03  3.5243000000e-03 -1.6686000000e-03 -2.8420000000e-04
+
+JOB 86
+COORDS  4.5152590000e+00  2.6700390000e+00  3.5201280000e+00  3.8512780000e+00  1.9856000000e+00  3.6032220000e+00  5.2615400000e+00  2.2320140000e+00  3.1109460000e+00 -4.4969090000e+00 -2.5708350000e+00 -3.5477300000e+00 -4.3268920000e+00 -2.5072430000e+00 -2.6079000000e+00 -5.0973950000e+00 -3.3113110000e+00 -3.6334210000e+00
+ENERGY -1.526540553421e+02
+FORCES  3.4640000000e-04 -4.5647000000e-03 -1.3613000000e-03  2.6978000000e-03  2.7830000000e-03 -3.2310000000e-04 -3.0475000000e-03  1.7796000000e-03  1.6850000000e-03 -1.7960000000e-03 -2.7467000000e-03  3.4673000000e-03 -6.6530000000e-04 -2.6800000000e-04 -3.8254000000e-03  2.4646000000e-03  3.0168000000e-03  3.5760000000e-04
+
+JOB 87
+COORDS -8.4783810000e+00 -6.2145800000e-01  3.7184950000e+00 -8.0705480000e+00  1.4915700000e-01  3.3234550000e+00 -8.9232840000e+00 -1.0568480000e+00  2.9913580000e+00  8.5027790000e+00  6.6240300000e-01 -3.6385900000e+00  8.8754380000e+00 -1.9805800000e-01 -3.4463280000e+00  7.7360110000e+00  4.7621300000e-01 -4.1804670000e+00
+ENERGY -1.526540708647e+02
+FORCES -1.5500000000e-04  1.3767000000e-03 -4.5712000000e-03 -1.6628000000e-03 -3.1491000000e-03  1.6074000000e-03  1.8181000000e-03  1.7721000000e-03  2.9637000000e-03 -1.5983000000e-03 -4.2733000000e-03 -1.4213000000e-03 -1.5241000000e-03  3.5112000000e-03 -7.8770000000e-04  3.1222000000e-03  7.6250000000e-04  2.2091000000e-03
+
+JOB 88
+COORDS -8.3291160000e+00 -4.8734070000e+00  8.8282800000e-01 -8.4087840000e+00 -3.9686400000e+00  5.8069800000e-01 -7.5993220000e+00 -4.8562900000e+00  1.5019720000e+00  8.3135760000e+00  4.8840850000e+00 -8.8839300000e-01  8.5242060000e+00  4.3087690000e+00 -1.6238390000e+00  7.6864440000e+00  4.3849140000e+00 -3.6516800000e-01
+ENERGY -1.526540634529e+02
+FORCES  2.6371000000e-03  3.7608000000e-03  1.2988000000e-03  3.3360000000e-04 -3.6920000000e-03  1.2308000000e-03 -2.9696000000e-03 -6.9100000000e-05 -2.5301000000e-03 -1.6848000000e-03 -4.3820000000e-03 -8.6980000000e-04 -8.6650000000e-04  2.3461000000e-03  3.0032000000e-03  2.5502000000e-03  2.0362000000e-03 -2.1330000000e-03
+
+JOB 89
+COORDS  8.3036500000e+00 -9.3703400000e-01 -5.7098490000e+00  8.5310970000e+00 -1.6392000000e-02 -5.5797820000e+00  7.4155760000e+00 -9.1677300000e-01 -6.0664250000e+00 -8.2886950000e+00  9.0266800000e-01  5.7891920000e+00 -8.6313950000e+00  1.2547650000e+00  4.9677200000e+00 -7.5863420000e+00  3.0987400000e-01  5.5217440000e+00
+ENERGY -1.526540666416e+02
+FORCES -2.6826000000e-03  3.8400000000e-03 -9.2970000000e-04 -9.3450000000e-04 -3.7568000000e-03 -5.2880000000e-04  3.6167000000e-03 -8.3700000000e-05  1.4590000000e-03  1.4639000000e-03 -9.8840000000e-04 -4.4362000000e-03  1.4008000000e-03 -1.4337000000e-03  3.3486000000e-03 -2.8643000000e-03  2.4225000000e-03  1.0870000000e-03
+
+JOB 0
+COORDS -1.0348780000e+00  4.7781700000e-01 -3.9974700000e-01 -1.2348550000e+00  9.9927900000e-01 -1.1771260000e+00 -1.8282350000e+00  5.2793000000e-01  1.3345600000e-01  1.1094160000e+00 -5.8694700000e-01  4.2664600000e-01  2.8376100000e-01 -1.6330300000e-01  1.9201700000e-01  1.7365800000e+00  1.3263900000e-01  4.9800500000e-01
+ENERGY -1.526559671557e+02
+FORCES  1.5222000000e-02 -6.4919000000e-03  3.8073000000e-03 -1.3883000000e-03 -1.7555000000e-03  5.0697000000e-03  4.0782000000e-03  5.6400000000e-04 -3.9359000000e-03 -1.8316300000e-02  1.1143600000e-02 -7.7391000000e-03  2.9722000000e-03 -2.5828000000e-03  3.9233000000e-03 -2.5679000000e-03 -8.7740000000e-04 -1.1252000000e-03
+
+JOB 1
+COORDS -5.9849000000e-02  1.1031160000e+00  5.9428700000e-01 -8.0606100000e-01  1.0961830000e+00  1.1937460000e+00 -1.6819400000e-01  1.9066290000e+00  8.5505000000e-02  8.0739000000e-02 -1.1893610000e+00 -6.3835600000e-01  8.3654400000e-01 -1.3858320000e+00 -8.4831000000e-02 -1.1499300000e-01 -2.6959000000e-01 -4.5963300000e-01
+ENERGY -1.526573200043e+02
+FORCES -1.6798000000e-03 -7.3624000000e-03 -1.7930000000e-03  4.0723000000e-03  5.8920000000e-04 -4.1497000000e-03 -4.9080000000e-04 -6.4019000000e-03  1.5910000000e-03  2.1053000000e-03  1.8432600000e-02  1.1770900000e-02 -1.6105000000e-03 -1.1429000000e-03 -1.3380000000e-03 -2.3966000000e-03 -4.1145000000e-03 -6.0812000000e-03
+
+JOB 2
+COORDS  9.0618000000e-01  8.6929100000e-01  1.5142900000e-01  8.5655000000e-01  7.2828500000e-01  1.0968850000e+00  1.8282870000e+00  1.0658770000e+00 -1.3815000000e-02 -9.4080000000e-01 -9.3645300000e-01 -1.8133100000e-01 -4.4204900000e-01 -1.2529000000e-01 -8.3894000000e-02 -1.7855760000e+00 -6.5777200000e-01 -5.3477400000e-01
+ENERGY -1.526565995571e+02
+FORCES -2.8976000000e-03 -8.9012000000e-03 -2.9185000000e-03 -1.8690000000e-03 -2.9550000000e-04 -6.8617000000e-03 -3.7055000000e-03 -1.5800000000e-04  3.2841000000e-03  1.0630000000e-02  1.0771600000e-02 -1.7449000000e-03 -5.9114000000e-03 -2.4532000000e-03  7.2310000000e-03  3.7535000000e-03  1.0362000000e-03  1.0099000000e-03
+
+JOB 3
+COORDS  2.1659100000e-01  7.9717600000e-01  1.0862690000e+00  2.2254800000e-01  2.3273900000e-01  3.1321900000e-01  8.8507500000e-01  4.2417000000e-01  1.6609230000e+00 -2.3031700000e-01 -6.7900300000e-01 -1.0566150000e+00 -1.1455210000e+00 -9.5287900000e-01 -1.1168260000e+00  2.7005400000e-01 -1.4612810000e+00 -1.2887830000e+00
+ENERGY -1.526591139336e+02
+FORCES -1.6688000000e-03 -1.0237500000e-02 -1.3495500000e-02  2.6872000000e-03  4.8426000000e-03  8.0713000000e-03 -1.6997000000e-03 -5.2980000000e-04 -3.2257000000e-03 -1.7385000000e-03  2.3133000000e-03  7.2915000000e-03  5.4467000000e-03 -1.1030000000e-04 -8.1720000000e-04 -3.0268000000e-03  3.7217000000e-03  2.1756000000e-03
+
+JOB 4
+COORDS  4.5845300000e-01  3.6510000000e-02 -1.1928180000e+00  1.1058010000e+00  7.4025900000e-01 -1.1491160000e+00  6.5241400000e-01 -4.1739600000e-01 -2.0129280000e+00 -5.7973700000e-01 -6.6160000000e-02  1.2331920000e+00 -9.4872000000e-02  1.7617400000e-01  2.0221230000e+00  8.0745000000e-02 -8.0578000000e-02  5.4052500000e-01
+ENERGY -1.526563283066e+02
+FORCES -2.1189000000e-03 -1.3518000000e-03  2.4103000000e-03 -3.2118000000e-03 -5.2293000000e-03  2.5614000000e-03 -4.2910000000e-04  3.9760000000e-03  3.1800000000e-03  4.7520000000e-03 -1.4719000000e-03 -1.1533400000e-02  2.2240000000e-04 -6.6000000000e-05 -4.8221000000e-03  7.8540000000e-04  4.1430000000e-03  8.2038000000e-03
+
+JOB 5
+COORDS -6.8702100000e-01 -1.1740340000e+00 -1.7608600000e-01 -5.6663300000e-01 -2.5153400000e-01  4.9151000000e-02 -9.9571800000e-01 -1.5804790000e+00  6.3369200000e-01  6.6072800000e-01  1.1026040000e+00  1.5232600000e-01  1.5987700000e+00  1.0396060000e+00 -2.7508000000e-02  3.7201400000e-01  1.8681660000e+00 -3.4445500000e-01
+ENERGY -1.526581836004e+02
+FORCES  6.9892000000e-03  1.1825000000e-02  3.7122000000e-03 -7.7518000000e-03 -4.9113000000e-03 -1.1290000000e-03  1.8569000000e-03  2.5111000000e-03 -1.9421000000e-03  2.2225000000e-03 -7.4442000000e-03 -3.5392000000e-03 -3.9042000000e-03  3.0971000000e-03  8.5490000000e-04  5.8740000000e-04 -5.0776000000e-03  2.0431000000e-03
+
+JOB 6
+COORDS  5.8819400000e-01 -6.1560000000e-01  9.7090100000e-01  3.3151300000e-01 -1.4312070000e+00  1.4011700000e+00  8.5584000000e-01 -4.0161000000e-02  1.6874670000e+00 -5.5935600000e-01  6.8482100000e-01 -1.0521390000e+00 -1.4052330000e+00  3.9726300000e-01 -1.3956990000e+00 -2.6277300000e-01 -4.2444000000e-02 -5.0500400000e-01
+ENERGY -1.526588778053e+02
+FORCES -2.5696000000e-03  6.6035000000e-03 -9.3610000000e-04  3.0850000000e-04  4.5162000000e-03 -2.2913000000e-03 -7.4520000000e-04 -4.9346000000e-03 -1.7366000000e-03  4.9623000000e-03 -7.4733000000e-03  1.0297800000e-02  2.9587000000e-03 -8.3480000000e-04  2.6560000000e-03 -4.9147000000e-03  2.1230000000e-03 -7.9899000000e-03
+
+JOB 7
+COORDS  7.2040900000e-01  1.0506020000e+00  3.2604800000e-01  7.5763300000e-01  5.8817900000e-01  1.1633120000e+00  1.1960200000e+00  1.8666530000e+00  4.8124500000e-01 -7.5628400000e-01 -1.1402540000e+00 -3.7532100000e-01 -1.2703740000e+00 -6.2019000000e-01 -9.9295900000e-01 -1.6681800000e-01 -5.0907000000e-01  3.7435000000e-02
+ENERGY -1.526537722531e+02
+FORCES -4.2720000000e-04 -1.7053000000e-03  8.0650000000e-04 -3.2990000000e-03 -1.7869000000e-03 -8.8553000000e-03 -2.4927000000e-03 -3.9972000000e-03  1.8000000000e-04  4.1776000000e-03  1.2805700000e-02 -2.6401000000e-03  1.0400000000e-04 -2.9960000000e-03  1.0022000000e-03  1.9373000000e-03 -2.3204000000e-03  9.5067000000e-03
+
+JOB 8
+COORDS  9.6029800000e-01  9.8945500000e-01 -3.3203000000e-01  6.0749000000e-01  9.9669000000e-02 -3.2581900000e-01  1.0239630000e+00  1.2288350000e+00  5.9256500000e-01 -9.3150000000e-01 -8.8791700000e-01  3.0312100000e-01 -1.3165980000e+00 -1.1947000000e+00 -5.1774100000e-01 -7.6813800000e-01 -1.6865720000e+00  8.0481200000e-01
+ENERGY -1.526575393737e+02
+FORCES -1.0668300000e-02 -9.1433000000e-03  7.7150000000e-03  6.0482000000e-03  2.5101000000e-03 -5.0528000000e-03  1.3054000000e-03  1.8960000000e-04 -2.3642000000e-03 -1.1678000000e-03  7.9100000000e-05 -1.5693000000e-03  4.1750000000e-03  1.4476000000e-03  4.2439000000e-03  3.0750000000e-04  4.9169000000e-03 -2.9727000000e-03
+
+JOB 9
+COORDS -9.5838000000e-02  7.3177800000e-01  1.0916940000e+00  5.7469400000e-01  1.1408430000e+00  1.6387640000e+00 -6.7633900000e-01  2.9150600000e-01  1.7125090000e+00  1.4299500000e-01 -7.5657600000e-01 -1.1920580000e+00  1.4421800000e-01 -2.0248500000e-01 -4.1153800000e-01 -7.8339700000e-01 -8.6900800000e-01 -1.4051030000e+00
+ENERGY -1.526604020986e+02
+FORCES  1.5401000000e-03 -3.2966000000e-03 -4.9780000000e-04 -4.1697000000e-03 -2.4278000000e-03 -1.5865000000e-03  3.1083000000e-03  2.6014000000e-03 -3.0930000000e-03 -2.9228000000e-03  8.7908000000e-03  1.1100800000e-02  2.2800000000e-04 -5.7592000000e-03 -7.5542000000e-03  2.2160000000e-03  9.1400000000e-05  1.6307000000e-03
+
+JOB 10
+COORDS -9.2296400000e-01  8.5531000000e-01 -3.7954200000e-01 -5.9335800000e-01  1.7092260000e+00 -6.5957500000e-01 -1.6057600000e+00  6.4134600000e-01 -1.0153420000e+00  9.9428500000e-01 -9.0556600000e-01  3.9400300000e-01  8.8783300000e-01 -1.2967730000e+00  1.2611000000e+00  2.1285200000e-01 -3.6530700000e-01  2.7689100000e-01
+ENERGY -1.526611463548e+02
+FORCES  4.3896000000e-03 -1.4710000000e-03 -2.2432000000e-03 -3.1814000000e-03 -3.8535000000e-03  4.3540000000e-04  3.2849000000e-03  2.1687000000e-03  2.7701000000e-03 -9.7687000000e-03  8.0014000000e-03 -2.3252000000e-03 -1.2433000000e-03  2.0978000000e-03 -2.7540000000e-03  6.5190000000e-03 -6.9434000000e-03  4.1169000000e-03
+
+JOB 11
+COORDS  9.2660800000e-01  1.3223000000e-02 -1.0593450000e+00  2.7575400000e-01 -2.2062200000e-01 -3.9757700000e-01  8.6968600000e-01 -6.8671800000e-01 -1.7097870000e+00 -8.4654400000e-01 -1.1825000000e-02  1.0283950000e+00 -5.9089500000e-01  8.6683700000e-01  1.3091580000e+00 -1.7820120000e+00 -6.3732000000e-02  1.2244500000e+00
+ENERGY -1.526609530796e+02
+FORCES -8.6789000000e-03 -3.1892000000e-03  7.3578000000e-03  7.7004000000e-03  1.9207000000e-03 -5.9239000000e-03 -1.0447000000e-03  1.6411000000e-03  2.5376000000e-03 -1.5540000000e-04  3.3455000000e-03 -2.4379000000e-03 -2.1424000000e-03 -5.0551000000e-03 -1.6322000000e-03  4.3210000000e-03  1.3370000000e-03  9.8600000000e-05
+
+JOB 12
+COORDS  1.3419200000e-01 -4.0395000000e-01  1.3730150000e+00  1.5062900000e-01 -4.3449900000e-01  4.1644400000e-01 -6.0190600000e-01  1.7107600000e-01  1.5821480000e+00 -9.8783000000e-02  3.7284100000e-01 -1.2728830000e+00 -6.2794900000e-01 -9.3902000000e-02 -1.9196960000e+00  5.7840300000e-01  8.1124600000e-01 -1.7881030000e+00
+ENERGY -1.526601784907e+02
+FORCES -3.2017000000e-03  6.1851000000e-03 -1.2496600000e-02  7.0310000000e-04 -4.6389000000e-03  6.8676000000e-03  1.6119000000e-03 -1.8795000000e-03  7.6010000000e-04  1.9808000000e-03  5.0790000000e-04 -1.9440000000e-04  3.1070000000e-03  2.3278000000e-03  3.6276000000e-03 -4.2011000000e-03 -2.5023000000e-03  1.4357000000e-03
+
+JOB 13
+COORDS -4.1768800000e-01 -9.8332000000e-01 -7.8700000000e-01 -2.3962100000e-01 -8.3265200000e-01 -1.7153440000e+00 -2.1413200000e-01 -1.9086390000e+00 -6.5068600000e-01  3.5058700000e-01  1.0592090000e+00  8.7319000000e-01  1.2988780000e+00  1.1882790000e+00  8.5541700000e-01  1.8442700000e-01  4.0656100000e-01  1.9298900000e-01
+ENERGY -1.526600503452e+02
+FORCES  1.5665000000e-03 -1.2421000000e-03  1.7502000000e-03  4.4860000000e-04 -4.6290000000e-04  5.7273000000e-03 -9.0280000000e-04  4.4273000000e-03 -2.4450000000e-03 -1.9994000000e-03 -1.0395400000e-02 -7.7220000000e-03 -2.8640000000e-03 -1.4703000000e-03 -9.8300000000e-04  3.7511000000e-03  9.1434000000e-03  3.6725000000e-03
+
+JOB 14
+COORDS  8.0361500000e-01  4.7663100000e-01  1.0969780000e+00  5.2120000000e-02  9.1791400000e-01  1.4929030000e+00  4.3227000000e-01 -2.5473000000e-02  3.7156400000e-01 -6.9846900000e-01 -4.7356500000e-01 -1.0285040000e+00 -7.4777900000e-01 -1.0743660000e+00 -1.7720350000e+00 -1.4208490000e+00  1.3906000000e-01 -1.1666680000e+00
+ENERGY -1.526596211033e+02
+FORCES -8.3917000000e-03 -4.3673000000e-03 -8.6284000000e-03  1.7207000000e-03 -6.1760000000e-04 -1.5549000000e-03  4.1591000000e-03  2.9719000000e-03  6.4653000000e-03  4.9550000000e-04  1.9380000000e-03  2.5570000000e-04 -1.0191000000e-03  3.6748000000e-03  2.9432000000e-03  3.0354000000e-03 -3.5998000000e-03  5.1920000000e-04
+
+JOB 15
+COORDS -2.4167500000e-01 -4.7671000000e-01  1.3381260000e+00 -3.0175900000e-01 -1.7824400000e-01  4.3063600000e-01  2.8527000000e-01 -1.2745880000e+00  1.2939550000e+00  2.6179200000e-01  4.9566400000e-01 -1.2327660000e+00 -2.3378200000e-01 -1.9287300000e-01 -1.6761120000e+00 -4.1813000000e-02  1.3083060000e+00 -1.6373240000e+00
+ENERGY -1.526580554762e+02
+FORCES  5.4059000000e-03  4.1313000000e-03 -1.1064900000e-02 -4.9474000000e-03 -6.8468000000e-03  5.2321000000e-03 -2.1437000000e-03  2.0726000000e-03 -6.4060000000e-04 -1.4118000000e-03  2.2966000000e-03 -1.5018000000e-03  1.7805000000e-03  3.2012000000e-03  6.5527000000e-03  1.3166000000e-03 -4.8549000000e-03  1.4225000000e-03
+
+JOB 16
+COORDS -9.6113300000e-01 -4.3467200000e-01  9.0427700000e-01 -3.3131800000e-01 -1.1473030000e+00  1.0125500000e+00 -1.6658920000e+00 -8.1485700000e-01  3.7986600000e-01  1.0245900000e+00  4.9275300000e-01 -8.8349500000e-01  5.1602400000e-01  1.0782800000e+00 -1.4445210000e+00  3.8047400000e-01  1.1446600000e-01 -2.8495900000e-01
+ENERGY -1.526581387172e+02
+FORCES -1.3254000000e-03 -4.2508000000e-03 -8.2920000000e-04 -1.4864000000e-03  7.3085000000e-03 -4.8050000000e-03  4.6393000000e-03  2.5675000000e-03  1.9969000000e-03 -1.1807600000e-02  2.7680000000e-04  6.9252000000e-03  1.3700000000e-03 -2.0592000000e-03  1.1148000000e-03  8.6102000000e-03 -3.8428000000e-03 -4.4029000000e-03
+
+JOB 17
+COORDS -5.2675500000e-01 -1.6791500000e-01 -1.3450110000e+00 -3.0100400000e-01  2.3092800000e-01 -5.0465800000e-01 -1.9974200000e-01 -1.0651970000e+00 -1.2803530000e+00  5.2075700000e-01  1.3605600000e-01  1.2675090000e+00 -3.7725800000e-01  3.1159400000e-01  1.5485550000e+00  9.9228700000e-01  9.4904000000e-01  1.4490280000e+00
+ENERGY -1.526580154502e+02
+FORCES  8.3889000000e-03 -2.2583000000e-03  1.1364900000e-02 -7.4116000000e-03  2.6366000000e-03 -3.8229000000e-03 -2.0603000000e-03  1.8558000000e-03 -1.7760000000e-03 -2.2940000000e-04  2.0354000000e-03  2.3073000000e-03  4.8645000000e-03 -2.4620000000e-04 -6.1940000000e-03 -3.5520000000e-03 -4.0233000000e-03 -1.8793000000e-03
+
+JOB 18
+COORDS  3.3388800000e-01 -1.4107740000e+00 -3.2980000000e-02  4.3940000000e-02 -5.2957700000e-01  2.0293000000e-01  1.0358580000e+00 -1.2703740000e+00 -6.6839800000e-01 -3.0855200000e-01  1.3272060000e+00  9.2876000000e-02 -3.3877600000e-01  1.4700360000e+00 -8.5312500000e-01 -1.1575920000e+00  1.6357040000e+00  4.0940800000e-01
+ENERGY -1.526602241315e+02
+FORCES -2.6340000000e-04  1.3257800000e-02  6.7130000000e-04  1.0950000000e-03 -9.7653000000e-03 -1.3184000000e-03 -2.5057000000e-03 -1.2910000000e-04  9.3070000000e-04 -3.0378000000e-03  1.0750000000e-04 -3.1121000000e-03  4.5620000000e-04 -1.5569000000e-03  5.0800000000e-03  4.2557000000e-03 -1.9140000000e-03 -2.2516000000e-03
+
+JOB 19
+COORDS  1.3507270000e+00  8.0186000000e-02 -5.0033800000e-01  4.5529700000e-01  7.4369000000e-02 -1.6210200000e-01  1.6799510000e+00  9.5471800000e-01 -2.9288200000e-01 -1.3404110000e+00 -6.3633000000e-02  4.7786100000e-01 -7.7363500000e-01 -5.6588700000e-01  1.0632990000e+00 -1.5325890000e+00 -6.6336500000e-01 -2.4298700000e-01
+ENERGY -1.526576679558e+02
+FORCES -9.8239000000e-03  5.4114000000e-03  2.9794000000e-03  7.3732000000e-03 -6.7829000000e-03  9.2810000000e-04 -1.1478000000e-03 -3.0712000000e-03 -2.4560000000e-04 -1.3429000000e-03 -5.7361000000e-03 -5.1200000000e-05  1.3321000000e-03  5.8664000000e-03 -7.4902000000e-03  3.6094000000e-03  4.3124000000e-03  3.8794000000e-03
+
+JOB 20
+COORDS  1.3564430000e+00  9.6348000000e-02 -2.5350300000e-01  1.6198620000e+00 -3.9123100000e-01 -1.0339570000e+00  1.5703040000e+00 -4.8502600000e-01  4.7622200000e-01 -1.4414490000e+00 -7.1422000000e-02  2.1739200000e-01 -1.5751420000e+00  5.4397600000e-01  9.3825500000e-01 -4.9457800000e-01 -7.4764000000e-02  7.7186000000e-02
+ENERGY -1.526603415598e+02
+FORCES  2.6023000000e-03 -3.2211000000e-03 -1.8411000000e-03 -1.5591000000e-03  2.0342000000e-03  4.8405000000e-03 -4.5079000000e-03  3.3003000000e-03 -4.1072000000e-03  1.1542900000e-02  4.3370000000e-03 -1.5196000000e-03  1.1114000000e-03 -2.2829000000e-03 -1.7256000000e-03 -9.1896000000e-03 -4.1675000000e-03  4.3530000000e-03
+
+JOB 21
+COORDS -1.0659070000e+00  3.9951000000e-01  7.8096700000e-01 -1.1637510000e+00  1.2701180000e+00  1.1665850000e+00 -8.1378000000e-01 -1.6103100000e-01  1.5147630000e+00  1.0935550000e+00 -3.7442400000e-01 -8.8141800000e-01  3.9599600000e-01 -1.1637000000e-01 -2.7888000000e-01  1.1404970000e+00 -1.3270280000e+00 -8.0034000000e-01
+ENERGY -1.526597786774e+02
+FORCES  4.4410000000e-04  2.9859000000e-03  3.1138000000e-03  2.0800000000e-04 -5.0311000000e-03 -9.8080000000e-04  9.5230000000e-04  2.5257000000e-03 -5.9843000000e-03 -9.8843000000e-03  1.8971000000e-03  5.3972000000e-03  9.1528000000e-03 -5.5119000000e-03 -2.7649000000e-03 -8.7300000000e-04  3.1343000000e-03  1.2191000000e-03
+
+JOB 22
+COORDS  3.6701400000e-01  5.1078000000e-01  1.2054830000e+00 -1.7843400000e-01  2.4727000000e-01  1.9466180000e+00  5.1257100000e-01  1.4478260000e+00  1.3358220000e+00 -3.8671200000e-01 -5.9417200000e-01 -1.2417310000e+00  1.6744200000e-01 -4.0485000000e-02 -6.9166200000e-01 -1.4552600000e-01 -3.6005800000e-01 -2.1379740000e+00
+ENERGY -1.526592359617e+02
+FORCES -5.1762000000e-03 -1.2002000000e-03  2.1173000000e-03  3.3569000000e-03  2.8317000000e-03 -1.8334000000e-03 -8.2920000000e-04 -4.4347000000e-03 -1.6596000000e-03  3.6551000000e-03  3.9189000000e-03  6.8993000000e-03 -1.0142000000e-03 -1.8438000000e-03 -9.7659000000e-03  7.6000000000e-06  7.2810000000e-04  4.2423000000e-03
+
+JOB 23
+COORDS -8.5795700000e-01  6.8252000000e-01 -9.3409700000e-01 -5.0375600000e-01  1.3401150000e+00 -1.5327140000e+00 -8.6332000000e-02  2.4465000000e-01 -5.7479500000e-01  8.2221200000e-01 -6.3433200000e-01  9.2896400000e-01  1.0159720000e+00 -1.5048670000e+00  5.8131900000e-01  1.3092300000e-01 -7.8205200000e-01  1.5743560000e+00
+ENERGY -1.526609598970e+02
+FORCES  8.1101000000e-03 -2.5045000000e-03  5.5412000000e-03  8.1700000000e-05 -2.7378000000e-03  2.4331000000e-03 -6.2439000000e-03  2.9496000000e-03 -8.5410000000e-03 -4.2526000000e-03 -2.7130000000e-03  3.6097000000e-03 -1.9571000000e-03  5.3427000000e-03  2.0440000000e-04  4.2617000000e-03 -3.3700000000e-04 -3.2474000000e-03
+
+JOB 24
+COORDS  1.3729210000e+00 -2.0093200000e-01 -4.4913200000e-01  1.1992210000e+00 -3.8134200000e-01 -1.3729900000e+00  5.0528700000e-01 -1.3382700000e-01 -5.0459000000e-02 -1.2496890000e+00  2.2456900000e-01  4.6430800000e-01 -1.6664700000e+00  2.0718700000e-01  1.3258320000e+00 -1.9404550000e+00 -4.2983000000e-02 -1.4190200000e-01
+ENERGY -1.526603881469e+02
+FORCES -1.1770100000e-02  1.7487000000e-03  2.1007000000e-03 -2.5220000000e-04  3.9440000000e-04  2.5683000000e-03  8.6380000000e-03 -2.0603000000e-03 -3.5501000000e-03 -6.9380000000e-04 -1.2107000000e-03  4.8640000000e-04  7.1520000000e-04 -1.2800000000e-05 -4.8588000000e-03  3.3629000000e-03  1.1407000000e-03  3.2536000000e-03
+
+JOB 25
+COORDS  1.0996640000e+00  7.3508700000e-01  3.9795200000e-01  1.1002820000e+00  3.5807800000e-01  1.2777790000e+00  2.0062790000e+00  6.5446000000e-01  1.0167400000e-01 -1.1529890000e+00 -7.6465100000e-01 -4.7377400000e-01 -4.1605300000e-01 -1.8888800000e-01 -2.6967900000e-01 -1.8803050000e+00 -4.1524800000e-01  4.1163000000e-02
+ENERGY -1.526611092999e+02
+FORCES  3.5163000000e-03 -2.8562000000e-03  8.3180000000e-04 -9.8820000000e-04  1.6428000000e-03 -5.2919000000e-03 -3.9937000000e-03  3.7960000000e-04  2.7429000000e-03  7.0738000000e-03  8.0303000000e-03  2.5764000000e-03 -8.7114000000e-03 -6.2383000000e-03 -2.6240000000e-04  3.1031000000e-03 -9.5830000000e-04 -5.9680000000e-04
+
+JOB 26
+COORDS  8.5876700000e-01  9.6140400000e-01  5.0996400000e-01  1.6618600000e-01  1.4359100000e+00  5.0174000000e-02  1.0403440000e+00  1.4931840000e+00  1.2848650000e+00 -8.7993200000e-01 -9.9607500000e-01 -5.6405100000e-01 -6.8429700000e-01 -1.9221480000e+00 -4.2141200000e-01 -1.7175700000e-01 -5.2997300000e-01 -1.1967700000e-01
+ENERGY -1.526604409467e+02
+FORCES -2.5689000000e-03  3.3768000000e-03  2.0307000000e-03  3.4206000000e-03 -5.5539000000e-03  3.1651000000e-03 -9.4150000000e-04 -1.0682000000e-03 -4.2319000000e-03  7.5824000000e-03  1.5615000000e-03  5.1384000000e-03 -1.5070000000e-04  3.0011000000e-03  1.5190000000e-04 -7.3420000000e-03 -1.3172000000e-03 -6.2542000000e-03
+
+JOB 27
+COORDS  1.2424840000e+00 -9.1017000000e-02 -6.2568500000e-01  1.7092140000e+00 -3.8590600000e-01  1.5625800000e-01  1.6211550000e+00  7.6581600000e-01 -8.2235200000e-01 -1.3425720000e+00  4.1339000000e-02  6.2634700000e-01 -8.2019100000e-01  8.2965900000e-01  7.7433400000e-01 -9.0421900000e-01 -4.0447300000e-01 -9.8450000000e-02
+ENERGY -1.526577974023e+02
+FORCES  1.9341000000e-03  1.6270000000e-03  3.3637000000e-03 -2.4142000000e-03  2.2000000000e-03 -3.7669000000e-03 -2.4426000000e-03 -3.5081000000e-03  2.2362000000e-03  1.1074900000e-02  1.4206000000e-03 -6.6585000000e-03 -2.3566000000e-03 -3.1300000000e-04  1.9171000000e-03 -5.7957000000e-03 -1.4264000000e-03  2.9084000000e-03
+
+JOB 28
+COORDS -5.2788800000e-01 -1.3063490000e+00  1.0338200000e-01 -7.0564500000e-01 -1.2809210000e+00 -8.3682400000e-01  1.8679000000e-01 -1.9364070000e+00  1.9554800000e-01  4.8915100000e-01  1.3897380000e+00 -1.0175500000e-01  1.9639600000e-01  4.7840700000e-01 -1.0310900000e-01  9.3645500000e-01  1.4968650000e+00  7.3769400000e-01
+ENERGY -1.526597616275e+02
+FORCES  7.9890000000e-04 -4.3329000000e-03 -2.6367000000e-03  3.2101000000e-03  2.8178000000e-03  6.0433000000e-03 -3.3747000000e-03  4.2305000000e-03 -6.1950000000e-04 -3.3213000000e-03 -1.0308800000e-02  5.5837000000e-03  3.4390000000e-03  7.9384000000e-03 -5.7577000000e-03 -7.5200000000e-04 -3.4510000000e-04 -2.6130000000e-03
+
+JOB 29
+COORDS -2.1044600000e-01  1.9281700000e-01  1.4114480000e+00  1.4185000000e-02  1.0493960000e+00  1.7748290000e+00 -9.9248600000e-01  3.5370400000e-01  8.8347000000e-01  1.8883500000e-01 -2.2274800000e-01 -1.4259880000e+00  7.6115400000e-01 -8.5125900000e-01 -1.8660530000e+00  5.7679400000e-01 -1.1171800000e-01 -5.5800600000e-01
+ENERGY -1.526609049322e+02
+FORCES -5.6167000000e-03  3.3089000000e-03  8.1000000000e-05 -5.9540000000e-04 -3.9391000000e-03 -2.7558000000e-03  5.6743000000e-03 -1.1860000000e-04  3.1207000000e-03  3.3280000000e-03 -1.7503000000e-03  6.2002000000e-03 -1.3854000000e-03  2.2662000000e-03  2.5388000000e-03 -1.4048000000e-03  2.3290000000e-04 -9.1848000000e-03
+
+JOB 30
+COORDS  9.9345100000e-01  8.8734800000e-01 -6.1160900000e-01  1.7037600000e+00  7.3281800000e-01 -1.2343550000e+00  7.1006400000e-01  1.1682000000e-02 -3.4867800000e-01 -9.5827900000e-01 -8.1456900000e-01  6.0532900000e-01 -1.5169400000e+00 -1.5687000000e+00  4.1714000000e-01 -1.4482290000e+00 -3.0880000000e-01  1.2536950000e+00
+ENERGY -1.526597560078e+02
+FORCES -3.2937000000e-03 -6.1086000000e-03  1.6621000000e-03 -3.1352000000e-03 -7.2380000000e-04  2.1604000000e-03  7.1006000000e-03  4.8922000000e-03 -3.8450000000e-03 -3.8420000000e-03  2.3132000000e-03  1.4859000000e-03  2.1865000000e-03  3.4345000000e-03  1.0096000000e-03  9.8380000000e-04 -3.8074000000e-03 -2.4730000000e-03
+
+JOB 31
+COORDS  2.9659600000e-01 -1.3157170000e+00  6.1420000000e-01  1.5644200000e-01 -8.6048800000e-01  1.4444740000e+00 -5.6260100000e-01 -1.3153420000e+00  1.9228300000e-01 -2.0534300000e-01  1.3328920000e+00 -6.6741500000e-01 -1.1610220000e+00  1.2800990000e+00 -6.7846300000e-01  6.8284000000e-02  6.1212300000e-01 -1.0009500000e-01
+ENERGY -1.526550461211e+02
+FORCES -4.4332000000e-03 -2.4928000000e-03  2.0527000000e-03  7.6740000000e-04  8.4660000000e-04 -7.3627000000e-03  4.9982000000e-03  4.1563000000e-03  1.9630000000e-03  8.1430000000e-04 -7.1223000000e-03  2.9692000000e-03  3.7520000000e-03 -1.6613000000e-03  7.4890000000e-04 -5.8987000000e-03  6.2735000000e-03 -3.7110000000e-04
+
+JOB 32
+COORDS  3.9772500000e-01 -2.5688600000e-01  1.4212730000e+00  2.0214600000e-01 -2.0459100000e-01  4.8572700000e-01  1.2770800000e+00  1.1215000000e-01  1.5036120000e+00 -4.2828100000e-01  2.3812700000e-01 -1.3035240000e+00  8.2869000000e-02  6.0004300000e-01 -2.0273850000e+00 -1.1365770000e+00 -2.4575500000e-01 -1.7282670000e+00
+ENERGY -1.526610250291e+02
+FORCES -4.7720000000e-04  3.0297000000e-03 -9.6585000000e-03  2.8600000000e-03 -2.5540000000e-03  9.2155000000e-03 -2.4876000000e-03 -9.2840000000e-04 -7.5050000000e-04 -8.6910000000e-04 -3.2730000000e-04 -2.7985000000e-03 -2.8835000000e-03 -1.9546000000e-03  2.9183000000e-03  3.8573000000e-03  2.7346000000e-03  1.0737000000e-03
+
+JOB 33
+COORDS -4.5036100000e-01  7.6098500000e-01  1.1360070000e+00 -6.9016200000e-01  2.0137500000e-01  1.8746300000e+00 -1.2769950000e+00  9.2814500000e-01  6.8327400000e-01  5.1706600000e-01 -7.0348500000e-01 -1.2193320000e+00  6.8181600000e-01 -1.6298930000e+00 -1.0436720000e+00  3.1743400000e-01 -3.2838800000e-01 -3.6161300000e-01
+ENERGY -1.526609186115e+02
+FORCES -5.6723000000e-03  8.9290000000e-04  2.2945000000e-03  1.3320000000e-03  1.9159000000e-03 -4.6559000000e-03  5.1147000000e-03 -2.2258000000e-03  2.3005000000e-03 -7.7800000000e-04  2.4399000000e-03  8.9216000000e-03 -1.0272000000e-03  3.1879000000e-03  4.2200000000e-04  1.0307000000e-03 -6.2108000000e-03 -9.2827000000e-03
+
+JOB 34
+COORDS -5.6738400000e-01  1.3817600000e+00 -2.5497900000e-01  1.0244600000e-01  6.9934300000e-01 -2.9819500000e-01 -7.7255600000e-01  1.4579820000e+00  6.7686100000e-01  5.3760600000e-01 -1.3225480000e+00  1.4368100000e-01 -1.7004400000e-01 -1.7094340000e+00  6.5922200000e-01  1.3062110000e+00 -1.3780190000e+00  7.1148500000e-01
+ENERGY -1.526590499846e+02
+FORCES  4.1419000000e-03 -8.9732000000e-03  3.5771000000e-03 -1.8111000000e-03  8.7902000000e-03 -7.8660000000e-04  1.0070000000e-04 -1.4410000000e-04 -2.5764000000e-03 -2.3014000000e-03 -3.4200000000e-03  3.8154000000e-03  4.2585000000e-03  1.8578000000e-03 -1.5160000000e-03 -4.3886000000e-03  1.8893000000e-03 -2.5135000000e-03
+
+JOB 35
+COORDS  1.2508380000e+00  2.7800100000e-01 -8.3058700000e-01  7.5003400000e-01  2.3166000000e-02 -5.5676000000e-02  7.6675900000e-01  1.0183170000e+00 -1.1964180000e+00 -1.1313470000e+00 -3.2978900000e-01  7.9575600000e-01 -1.7217460000e+00  5.6000000000e-03  1.2108900000e-01 -1.6235230000e+00 -2.3963400000e-01  1.6117630000e+00
+ENERGY -1.526595227271e+02
+FORCES -7.3919000000e-03  3.9220000000e-04  5.7332000000e-03  6.2783000000e-03  1.8694000000e-03 -5.5560000000e-03  9.0540000000e-04 -2.4465000000e-03  3.3750000000e-04 -4.5104000000e-03  8.2210000000e-04  2.7900000000e-04  3.2482000000e-03 -4.4870000000e-04  3.6107000000e-03  1.4705000000e-03 -1.8850000000e-04 -4.4044000000e-03
+
+JOB 36
+COORDS  1.1665360000e+00  4.9864000000e-02  9.7444300000e-01  1.6511970000e+00  6.8804100000e-01  4.5093000000e-01  5.2941500000e-01 -3.2504800000e-01  3.6637200000e-01 -1.1293320000e+00 -1.1895500000e-01 -9.2013200000e-01 -1.0227860000e+00  7.1394700000e-01 -1.3796470000e+00 -1.7760600000e+00  6.3987000000e-02 -2.3858300000e-01
+ENERGY -1.526599456926e+02
+FORCES -4.9208000000e-03 -1.8900000000e-04 -8.9566000000e-03 -1.6092000000e-03 -1.3699000000e-03  1.7762000000e-03  5.9190000000e-03  8.6480000000e-04  7.1986000000e-03 -3.5262000000e-03  5.7058000000e-03  8.3400000000e-04  1.2900000000e-04 -3.9033000000e-03  2.5107000000e-03  4.0083000000e-03 -1.1084000000e-03 -3.3629000000e-03
+
+JOB 37
+COORDS  3.5021500000e-01  1.3609490000e+00 -5.4685600000e-01  3.2390300000e-01  1.0130540000e+00  3.4449600000e-01  1.1895770000e+00  1.0618850000e+00 -8.9651900000e-01 -3.5373900000e-01 -1.3500570000e+00  5.5405400000e-01 -1.1265720000e+00 -8.4951900000e-01  8.1562900000e-01 -3.8224500000e-01 -1.3530110000e+00 -4.0271700000e-01
+ENERGY -1.526571324802e+02
+FORCES  4.4601000000e-03 -6.1835000000e-03  4.6845000000e-03 -2.0599000000e-03  4.2320000000e-03 -3.1608000000e-03 -3.5988000000e-03  1.1283000000e-03  1.5310000000e-04 -4.5125000000e-03  3.3374000000e-03 -6.3097000000e-03  4.7187000000e-03 -7.7200000000e-04  3.1640000000e-04  9.9230000000e-04 -1.7422000000e-03  4.3165000000e-03
+
+JOB 38
+COORDS  1.8756300000e-01  1.0618770000e+00  9.8438300000e-01 -2.0786900000e-01  1.6304820000e+00  3.2366000000e-01  1.0924200000e+00  1.3665090000e+00  1.0526760000e+00 -2.6788700000e-01 -1.1095480000e+00 -1.0036710000e+00  3.9552300000e-01 -1.7875680000e+00 -8.7558000000e-01 -1.2022100000e-01 -4.9108800000e-01 -2.8817600000e-01
+ENERGY -1.526609207716e+02
+FORCES  2.6504000000e-03  5.9388000000e-03 -9.5560000000e-04  2.5806000000e-03 -5.2569000000e-03  2.7363000000e-03 -4.5275000000e-03 -1.5629000000e-03 -6.2040000000e-04  3.6172000000e-03  3.1894000000e-03  8.2609000000e-03 -1.7086000000e-03  2.3990000000e-03 -3.8110000000e-04 -2.6121000000e-03 -4.7075000000e-03 -9.0401000000e-03
+
+JOB 39
+COORDS  5.3764100000e-01  6.8067000000e-02  1.3968230000e+00  3.4085300000e-01  7.1615900000e-01  2.0731980000e+00 -2.0632900000e-01  1.1441400000e-01  7.9633000000e-01 -4.5155000000e-01 -1.5731300000e-01 -1.3920750000e+00 -1.3971930000e+00 -5.0741000000e-02 -1.2889590000e+00 -1.4139200000e-01  7.0545700000e-01 -1.6671410000e+00
+ENERGY -1.526560882552e+02
+FORCES -3.8663000000e-03  4.1000000000e-05 -4.6240000000e-03  8.9300000000e-05 -2.0439000000e-03 -4.0237000000e-03  4.7730000000e-04  2.5326000000e-03  8.0558000000e-03  2.0020000000e-04  3.3871000000e-03 -4.5353000000e-03  5.7090000000e-03  1.0580000000e-04  3.1277000000e-03 -2.6095000000e-03 -4.0226000000e-03  1.9996000000e-03
+
+JOB 40
+COORDS -7.3848700000e-01  5.9150200000e-01  1.0630180000e+00 -8.4984200000e-01 -1.3755100000e-01  1.6731940000e+00 -1.1301790000e+00  1.3412920000e+00  1.5109280000e+00  7.5698100000e-01 -6.5308500000e-01 -1.1421360000e+00  4.6182500000e-01 -1.6937700000e-01 -3.7068200000e-01  1.2802170000e+00 -2.1540000000e-02 -1.6357010000e+00
+ENERGY -1.526605561304e+02
+FORCES -2.7150000000e-03  9.6320000000e-04  2.8813000000e-03  1.0778000000e-03  4.0331000000e-03 -3.0683000000e-03  1.0501000000e-03 -4.0405000000e-03 -8.8050000000e-04 -2.7373000000e-03  6.9645000000e-03  4.4596000000e-03  5.0390000000e-03 -6.1894000000e-03 -4.9587000000e-03 -1.7146000000e-03 -1.7308000000e-03  1.5666000000e-03
+
+JOB 41
+COORDS -1.1778820000e+00 -6.3569900000e-01 -6.7456700000e-01 -1.7702910000e+00  1.6710000000e-03 -1.0733680000e+00 -5.1791800000e-01 -8.0359300000e-01 -1.3472420000e+00  1.2110610000e+00  6.6368900000e-01  7.1436500000e-01  4.0808000000e-01  2.9557200000e-01  3.4565900000e-01  1.4044990000e+00  1.0890100000e-01  1.4700250000e+00
+ENERGY -1.526610420086e+02
+FORCES -2.9238000000e-03  2.7820000000e-04 -6.3798000000e-03  3.4855000000e-03 -3.1676000000e-03  1.7657000000e-03 -2.4688000000e-03  2.4617000000e-03  5.4988000000e-03 -7.0726000000e-03 -4.9731000000e-03  7.1600000000e-04  9.4270000000e-03  3.6870000000e-03  1.0573000000e-03 -4.4740000000e-04  1.7139000000e-03 -2.6581000000e-03
+
+JOB 42
+COORDS  6.1597300000e-01 -5.1257000000e-01  1.3039280000e+00  1.7831400000e-01 -1.3637420000e+00  1.3178100000e+00  1.2295900000e+00 -5.7014500000e-01  5.7154000000e-01 -5.9234000000e-01  6.2530300000e-01 -1.2680540000e+00 -5.1280600000e-01 -5.1800000000e-03 -5.5223500000e-01 -1.2706740000e+00  2.5952400000e-01 -1.8357700000e+00
+ENERGY -1.526565728841e+02
+FORCES  4.8951000000e-03 -3.3661000000e-03  4.2720000000e-04  4.9460000000e-04  5.5510000000e-03 -2.4572000000e-03 -6.2800000000e-03  3.0300000000e-05  2.7716000000e-03 -2.0483000000e-03 -2.5697000000e-03  4.5031000000e-03  1.5450000000e-04 -2.4640000000e-04 -8.4246000000e-03  2.7841000000e-03  6.0080000000e-04  3.1799000000e-03
+
+JOB 43
+COORDS -6.1483600000e-01 -1.3759420000e+00  3.7232800000e-01 -6.9386300000e-01 -4.5479100000e-01  1.2440200000e-01 -8.3475000000e-01 -1.8586420000e+00 -4.2446000000e-01  6.0423400000e-01  1.3100650000e+00 -2.6639600000e-01  1.1311270000e+00  1.0750590000e+00 -1.0301950000e+00  5.2959200000e-01  2.2633330000e+00 -3.1043300000e-01
+ENERGY -1.526589137547e+02
+FORCES  4.0810000000e-04  6.0119000000e-03 -3.2054000000e-03 -3.3451000000e-03 -8.3113000000e-03  6.4360000000e-04  1.4643000000e-03  2.1202000000e-03  2.3451000000e-03  4.1475000000e-03  3.0794000000e-03 -2.5674000000e-03 -3.3574000000e-03  1.6339000000e-03  2.9356000000e-03  6.8270000000e-04 -4.5341000000e-03 -1.5150000000e-04
+
+JOB 44
+COORDS  9.3542000000e-02 -5.1910200000e-01  1.3770470000e+00  1.0315740000e+00 -6.3236000000e-01  1.5303440000e+00 -3.1106400000e-01 -1.2813390000e+00  1.7911950000e+00 -5.9791000000e-02  5.8353700000e-01 -1.4312170000e+00 -4.0621200000e-01  8.0981400000e-01 -5.6807000000e-01 -7.6928200000e-01  1.0112800000e-01 -1.8556410000e+00
+ENERGY -1.526572236564e+02
+FORCES  3.8171000000e-03 -3.9482000000e-03  1.1990000000e-04 -4.3023000000e-03  1.8940000000e-04  7.1210000000e-04  1.7626000000e-03  2.9855000000e-03 -2.0350000000e-03 -3.7971000000e-03 -3.7666000000e-03  6.7280000000e-03  2.1470000000e-04  2.8653000000e-03 -6.5024000000e-03  2.3051000000e-03  1.6745000000e-03  9.7740000000e-04
+
+JOB 45
+COORDS -9.7857300000e-01 -7.7764700000e-01  9.2029400000e-01 -2.8570400000e-01 -2.2286900000e-01  5.6198500000e-01 -5.7969600000e-01 -1.1977250000e+00  1.6823060000e+00  9.2571200000e-01  7.3941600000e-01 -8.8423500000e-01  7.1901000000e-01  1.6658690000e+00 -1.0074860000e+00  8.8500300000e-01  3.6529500000e-01 -1.7643530000e+00
+ENERGY -1.526616953785e+02
+FORCES  6.8253000000e-03  2.9582000000e-03 -2.0763000000e-03 -6.7157000000e-03 -4.5823000000e-03  6.7283000000e-03 -8.6900000000e-04  1.6201000000e-03 -2.7319000000e-03 -7.6310000000e-04  1.8143000000e-03 -6.1098000000e-03  8.3890000000e-04 -4.5829000000e-03  4.5680000000e-04  6.8350000000e-04  2.7726000000e-03  3.7330000000e-03
+
+JOB 46
+COORDS  8.6019700000e-01  8.9263900000e-01 -8.4996700000e-01 -4.5319000000e-02  1.0462910000e+00 -1.1195290000e+00  1.3854510000e+00  1.1891230000e+00 -1.5932280000e+00 -8.5742300000e-01 -9.4729400000e-01  9.5457300000e-01  8.4680000000e-03 -7.8348000000e-01  5.8090100000e-01 -1.4633480000e+00 -5.0799600000e-01  3.5782900000e-01
+ENERGY -1.526568190497e+02
+FORCES -3.3070000000e-04  3.4989000000e-03 -4.8887000000e-03  3.2483000000e-03 -2.6293000000e-03  2.0063000000e-03 -2.9587000000e-03 -9.2830000000e-04  3.2338000000e-03  4.0955000000e-03  3.6957000000e-03 -4.7707000000e-03 -5.9015000000e-03 -3.1293000000e-03  3.1885000000e-03  1.8471000000e-03 -5.0770000000e-04  1.2308000000e-03
+
+JOB 47
+COORDS -3.0504300000e-01 -3.2677100000e-01  1.4334390000e+00  3.9067600000e-01 -2.4639300000e-01  2.0859320000e+00 -6.2941800000e-01 -1.2213080000e+00  1.5374390000e+00  3.3751200000e-01  3.5400500000e-01 -1.5163530000e+00 -5.4555600000e-01  4.7918100000e-01 -1.8638480000e+00  2.7109900000e-01  6.0668600000e-01 -5.9549800000e-01
+ENERGY -1.526590313181e+02
+FORCES  9.6360000000e-04 -5.8349000000e-03  2.2579000000e-03 -2.9194000000e-03 -1.5900000000e-04 -3.4311000000e-03  1.1754000000e-03  4.0117000000e-03  9.6420000000e-04 -4.8410000000e-03 -8.2400000000e-05  6.8613000000e-03  2.9319000000e-03 -6.9320000000e-04  6.1580000000e-04  2.6895000000e-03  2.7577000000e-03 -7.2681000000e-03
+
+JOB 48
+COORDS -1.1830230000e+00  8.6403100000e-01 -5.2078300000e-01 -1.3596270000e+00  1.7976310000e+00 -6.3668500000e-01 -2.5259500000e-01  8.2138200000e-01 -3.0006600000e-01  1.1021260000e+00 -8.6958400000e-01  5.5072800000e-01  1.9615170000e+00 -7.6877000000e-01  1.4144100000e-01  8.5788500000e-01 -1.7783230000e+00  3.7530900000e-01
+ENERGY -1.526585705272e+02
+FORCES  4.9876000000e-03  2.1540000000e-04  2.5561000000e-03  1.6223000000e-03 -3.5467000000e-03  6.4140000000e-04 -5.6077000000e-03  5.4848000000e-03 -4.0930000000e-03  1.0103000000e-03 -6.5913000000e-03 -1.4723000000e-03 -4.6423000000e-03  8.2350000000e-04  1.2616000000e-03  2.6298000000e-03  3.6142000000e-03  1.1063000000e-03
+
+JOB 49
+COORDS -7.0544300000e-01 -8.0459200000e-01  1.0774840000e+00 -1.3083730000e+00 -1.4488800000e+00  7.0654000000e-01  3.4826000000e-02 -1.3226900000e+00  1.3934080000e+00  6.9025800000e-01  9.3921200000e-01 -1.1000450000e+00  1.0068400000e-01  3.5810300000e-01 -6.1947600000e-01  1.5153200000e+00  4.5646000000e-01 -1.1495940000e+00
+ENERGY -1.526593446256e+02
+FORCES -4.0850000000e-04 -5.7687000000e-03  3.7774000000e-03  3.8719000000e-03  3.6551000000e-03  8.1520000000e-04 -3.3871000000e-03  2.5075000000e-03 -2.7513000000e-03 -1.7366000000e-03 -5.5978000000e-03  5.6788000000e-03  4.2570000000e-03  3.8802000000e-03 -7.8727000000e-03 -2.5967000000e-03  1.3237000000e-03  3.5250000000e-04
+
+JOB 50
+COORDS  1.4188170000e+00 -3.3238200000e-01 -6.2298900000e-01  1.9935510000e+00  3.3163900000e-01 -1.0037630000e+00  6.2650300000e-01  1.4669000000e-01 -3.8017000000e-01 -1.3590080000e+00  2.1512900000e-01  6.2595800000e-01 -1.3504630000e+00  1.0913430000e+00  2.4072000000e-01 -2.1863580000e+00  1.7181300000e-01  1.1053820000e+00
+ENERGY -1.526554411771e+02
+FORCES -3.2868000000e-03  2.5286000000e-03  1.6124000000e-03 -3.0679000000e-03 -2.0520000000e-03  1.6906000000e-03  5.4253000000e-03  2.3472000000e-03 -4.1152000000e-03 -5.7504000000e-03  1.3418000000e-03  2.4298000000e-03  3.4439000000e-03 -5.1482000000e-03  6.6610000000e-04  3.2359000000e-03  9.8270000000e-04 -2.2837000000e-03
+
+JOB 51
+COORDS -7.6351200000e-01  1.3919760000e+00  9.8000000000e-05 -1.6519200000e+00  1.7434470000e+00  5.8670000000e-02 -3.7974800000e-01  1.5651710000e+00  8.5972600000e-01  8.4568500000e-01 -1.4577730000e+00 -4.5182000000e-02  3.2508900000e-01 -1.1424570000e+00  6.9359200000e-01  4.0091700000e-01 -1.1098090000e+00 -8.1805600000e-01
+ENERGY -1.526570691386e+02
+FORCES -1.6642000000e-03  4.4423000000e-03  3.5278000000e-03  4.0811000000e-03 -1.8919000000e-03 -1.1350000000e-04 -2.4080000000e-03 -2.0497000000e-03 -3.4495000000e-03 -5.9477000000e-03  5.7051000000e-03 -1.3218000000e-03  3.0922000000e-03 -2.1180000000e-03 -3.1700000000e-04  2.8467000000e-03 -4.0878000000e-03  1.6740000000e-03
+
+JOB 52
+COORDS  4.6915100000e-01 -1.0621260000e+00  1.2210450000e+00 -1.7553200000e-01 -4.0061500000e-01  9.7001100000e-01  1.3038010000e+00 -5.9356400000e-01  1.2273790000e+00 -4.9090400000e-01  9.3891200000e-01 -1.1807600000e+00 -1.1491730000e+00  1.5728070000e+00 -1.4655250000e+00  3.4673700000e-01  1.3684280000e+00 -1.3542700000e+00
+ENERGY -1.526572407007e+02
+FORCES -9.1180000000e-04  5.8715000000e-03 -3.9442000000e-03  3.0203000000e-03 -4.0415000000e-03  5.2328000000e-03 -2.3320000000e-03 -1.7149000000e-03  8.0200000000e-05  7.8670000000e-04  4.4435000000e-03 -4.4763000000e-03  3.1516000000e-03 -2.8671000000e-03  1.4531000000e-03 -3.7149000000e-03 -1.6915000000e-03  1.6544000000e-03
+
+JOB 53
+COORDS -6.6860800000e-01  1.4718570000e+00 -1.4016700000e-01 -1.1668270000e+00  2.0816020000e+00  4.0409500000e-01  2.1330500000e-01  1.4837500000e+00  2.3174700000e-01  6.6756600000e-01 -1.4766490000e+00  1.3932600000e-01  8.3266400000e-01 -1.2882960000e+00 -7.8452300000e-01  7.2954000000e-02 -2.2266880000e+00  1.2879900000e-01
+ENERGY -1.526549893236e+02
+FORCES  2.4423000000e-03  3.2690000000e-04  5.1153000000e-03  1.8047000000e-03 -2.5920000000e-03 -2.0189000000e-03 -3.3334000000e-03  2.2609000000e-03 -2.7886000000e-03 -4.4869000000e-03 -1.2212000000e-03 -4.3829000000e-03  7.6490000000e-04 -1.0118000000e-03  4.0000000000e-03  2.8084000000e-03  2.2372000000e-03  7.5100000000e-05
+
+JOB 54
+COORDS  1.2678720000e+00 -7.0448200000e-01  7.7774900000e-01  9.7780100000e-01 -1.2247590000e+00  1.5270180000e+00  9.9446100000e-01 -1.2114790000e+00  1.3267000000e-02 -1.2280390000e+00  7.8335100000e-01 -8.3511100000e-01 -9.0263300000e-01  1.1900950000e+00 -3.2053000000e-02 -1.6953050000e+00  3.0930000000e-03 -5.3662700000e-01
+ENERGY -1.526556491077e+02
+FORCES -1.0478000000e-03 -4.5218000000e-03 -2.0123000000e-03  1.2890000000e-04  2.8252000000e-03 -3.3779000000e-03  1.1295000000e-03  9.6750000000e-04  4.5487000000e-03  1.4830000000e-03 -9.7310000000e-04  6.4021000000e-03 -3.6805000000e-03 -3.7930000000e-04 -3.8125000000e-03  1.9870000000e-03  2.0815000000e-03 -1.7481000000e-03
+
+JOB 55
+COORDS -5.3426600000e-01  8.5966900000e-01 -1.3492260000e+00 -6.7339700000e-01  2.9653000000e-01 -2.1106390000e+00 -5.6604700000e-01  2.6364900000e-01 -6.0090700000e-01  4.9039400000e-01 -7.4967400000e-01  1.3531620000e+00  6.1391300000e-01 -1.4603670000e+00  7.2396400000e-01  1.2737140000e+00 -7.7675900000e-01  1.9026230000e+00
+ENERGY -1.526565843290e+02
+FORCES -3.3450000000e-04 -3.6908000000e-03  2.7488000000e-03  1.0620000000e-03  1.4981000000e-03  3.3949000000e-03 -1.4524000000e-03  9.8130000000e-04 -7.4206000000e-03  6.3341000000e-03 -2.2041000000e-03  2.0177000000e-03 -2.2103000000e-03  4.4162000000e-03  1.3708000000e-03 -3.3988000000e-03 -1.0006000000e-03 -2.1116000000e-03
+
+JOB 56
+COORDS  6.5638000000e-01 -1.3312770000e+00  7.1047400000e-01  3.6832100000e-01 -9.4146400000e-01  1.5358830000e+00  1.6120510000e+00 -1.3287320000e+00  7.6448500000e-01 -7.0523700000e-01  1.3776030000e+00 -7.4990000000e-01 -4.5195000000e-02  9.8414700000e-01 -1.3206620000e+00 -1.1798410000e+00  6.3204000000e-01 -3.8231500000e-01
+ENERGY -1.526568211567e+02
+FORCES  3.8090000000e-03  2.1619000000e-03  4.4867000000e-03  4.7190000000e-04 -2.0882000000e-03 -3.8149000000e-03 -3.9685000000e-03 -1.4560000000e-04 -3.7630000000e-04  2.3248000000e-03 -7.7803000000e-03 -3.7870000000e-04 -2.3408000000e-03  3.3760000000e-03  6.6590000000e-04 -2.9650000000e-04  4.4761000000e-03 -5.8280000000e-04
+
+JOB 57
+COORDS -1.3030590000e+00  4.6784300000e-01  9.3182400000e-01 -1.6434860000e+00  6.1694100000e-01  4.9718000000e-02 -1.2266110000e+00  1.3435160000e+00  1.3107490000e+00  1.3586960000e+00 -5.4680400000e-01 -9.5120700000e-01  1.5071270000e+00  1.7018500000e-01 -3.3466300000e-01  4.8811700000e-01 -8.7738800000e-01 -7.2976100000e-01
+ENERGY -1.526569267603e+02
+FORCES -3.0183000000e-03  5.4126000000e-03 -7.9270000000e-04  2.8392000000e-03 -1.7510000000e-03  3.7632000000e-03  5.3500000000e-05 -3.8787000000e-03 -1.9171000000e-03 -4.1238000000e-03  1.4175000000e-03  6.4417000000e-03  1.1969000000e-03 -1.6996000000e-03 -3.5327000000e-03  3.0524000000e-03  4.9920000000e-04 -3.9624000000e-03
+
+JOB 58
+COORDS -7.7279000000e-02 -1.6671460000e+00 -6.4625000000e-02 -2.3678000000e-02 -2.0192520000e+00 -9.5309600000e-01  6.5422300000e-01 -2.0743240000e+00  3.9942600000e-01  4.3267000000e-02  1.7566170000e+00  3.5253000000e-02 -7.3182000000e-02  1.9563700000e+00  9.6410700000e-01 -1.7049000000e-02  8.0261400000e-01 -1.4459000000e-02
+ENERGY -1.526599121183e+02
+FORCES  3.0927000000e-03 -6.2689000000e-03 -2.1890000000e-03  5.4100000000e-05  1.5551000000e-03  4.2858000000e-03 -3.3772000000e-03  2.0013000000e-03 -2.1550000000e-03 -1.4197000000e-03 -5.6873000000e-03  3.1817000000e-03  7.1230000000e-04 -4.3650000000e-04 -3.0976000000e-03  9.3780000000e-04  8.8364000000e-03 -2.5900000000e-05
+
+JOB 59
+COORDS  6.3157800000e-01  1.0378010000e+00 -1.2712700000e+00  6.9391000000e-01  5.6805900000e-01 -2.1029480000e+00 -2.8200700000e-01  9.3425500000e-01 -1.0050490000e+00 -5.7131500000e-01 -9.4680900000e-01  1.2734080000e+00 -1.2070520000e+00 -1.6284680000e+00  1.0556640000e+00 -1.2411800000e-01 -1.2759430000e+00  2.0530990000e+00
+ENERGY -1.526546548695e+02
+FORCES -4.0918000000e-03 -3.8525000000e-03  2.8450000000e-04 -2.0230000000e-04  1.7959000000e-03  2.9612000000e-03  3.1259000000e-03  2.0679000000e-03 -3.7111000000e-03  1.0095000000e-03 -4.2636000000e-03  3.4123000000e-03  2.5528000000e-03  3.3603000000e-03  1.3460000000e-04 -2.3940000000e-03  8.9210000000e-04 -3.0815000000e-03
+
+JOB 60
+COORDS -6.6293600000e-01 -1.6730000000e-02  1.6734610000e+00  2.5140400000e-01 -2.9968200000e-01  1.6858410000e+00 -1.1449000000e+00 -7.4517700000e-01  2.0650070000e+00  6.0627700000e-01  5.9560000000e-02 -1.7509920000e+00  1.5480580000e+00  8.4780000000e-03 -1.5876820000e+00  2.3559500000e-01  3.6703700000e-01 -9.2377600000e-01
+ENERGY -1.526563454046e+02
+FORCES  1.1350000000e-04 -5.5608000000e-03  3.7115000000e-03 -3.7392000000e-03  2.1318000000e-03 -1.7955000000e-03  2.4131000000e-03  3.2982000000e-03 -1.0683000000e-03  5.8880000000e-04  1.7452000000e-03  4.2662000000e-03 -3.7099000000e-03 -1.5980000000e-04  2.4600000000e-05  4.3338000000e-03 -1.4545000000e-03 -5.1385000000e-03
+
+JOB 61
+COORDS  7.2083100000e-01 -5.8578400000e-01 -1.5681190000e+00  1.1400620000e+00 -2.4125500000e-01 -2.3566480000e+00 -1.7501400000e-01 -2.5081700000e-01 -1.6067280000e+00 -7.4315200000e-01  5.1876800000e-01  1.6422520000e+00 -4.2092000000e-02  4.9565000000e-02  1.1899300000e+00 -4.7312700000e-01  1.4367280000e+00  1.6164080000e+00
+ENERGY -1.526573822543e+02
+FORCES -1.9650000000e-03  2.0476000000e-03 -5.2757000000e-03 -2.0328000000e-03 -1.3170000000e-03  3.2160000000e-03  4.8990000000e-03 -1.2078000000e-03  5.7960000000e-04  5.3861000000e-03  1.1966000000e-03 -1.4133000000e-03 -4.7703000000e-03  2.6771000000e-03  2.9550000000e-03 -1.5171000000e-03 -3.3965000000e-03 -6.1500000000e-05
+
+JOB 62
+COORDS -1.6196530000e+00  4.2300000000e-02  9.7265800000e-01 -1.1485300000e+00 -5.2837800000e-01  1.5797830000e+00 -1.9013760000e+00 -5.3911900000e-01  2.6638900000e-01  1.5632420000e+00  4.1507000000e-02 -9.2299800000e-01  1.6511620000e+00 -7.8350300000e-01 -1.4003450000e+00  2.3000880000e+00  5.7291300000e-01 -1.2244890000e+00
+ENERGY -1.526531549363e+02
+FORCES  3.0211000000e-03 -4.2303000000e-03 -1.5203000000e-03 -2.8000000000e-03  1.8549000000e-03 -1.7434000000e-03  2.0790000000e-04  1.8293000000e-03  2.9984000000e-03  3.5810000000e-03 -2.2260000000e-04 -3.3720000000e-03 -9.3730000000e-04  3.1543000000e-03  2.3391000000e-03 -3.0728000000e-03 -2.3855000000e-03  1.2983000000e-03
+
+JOB 63
+COORDS  8.2860000000e-02  3.0883400000e-01 -1.9159840000e+00  4.2756600000e-01 -4.7132700000e-01 -2.3504470000e+00 -8.6270000000e-01  2.6463200000e-01 -2.0580890000e+00 -8.2767000000e-02 -2.0506500000e-01  1.9307780000e+00  6.8957900000e-01 -1.6519500000e-01  2.4948040000e+00 -1.8190100000e-01 -1.1346030000e+00  1.7249550000e+00
+ENERGY -1.526528801822e+02
+FORCES -2.8890000000e-03 -2.7694000000e-03 -1.5955000000e-03 -1.2720000000e-03  2.9628000000e-03  2.0639000000e-03  3.9311000000e-03 -8.5600000000e-05  6.7500000000e-05  3.4472000000e-03 -3.2103000000e-03  2.6470000000e-04 -3.2170000000e-03 -2.7600000000e-04 -2.0086000000e-03 -3.0000000000e-07  3.3786000000e-03  1.2081000000e-03
+
+JOB 64
+COORDS -1.3326400000e-01  1.6164340000e+00 -1.1606660000e+00  5.5730400000e-01  2.1499020000e+00 -1.5540620000e+00 -2.8876000000e-02  1.7458370000e+00 -2.1801600000e-01  6.1843000000e-02 -1.6298630000e+00  1.0811620000e+00 -3.5124400000e-01 -2.0262760000e+00  1.8482660000e+00  9.9770400000e-01 -1.6369070000e+00  1.2820270000e+00
+ENERGY -1.526536339413e+02
+FORCES  2.7688000000e-03  1.6303000000e-03  2.9617000000e-03 -2.6485000000e-03 -2.3076000000e-03  1.5864000000e-03 -6.6000000000e-05  9.0360000000e-04 -4.1759000000e-03  2.1484000000e-03 -2.5876000000e-03  3.4412000000e-03  1.7287000000e-03  1.9042000000e-03 -3.2443000000e-03 -3.9314000000e-03  4.5710000000e-04 -5.6900000000e-04
+
+JOB 65
+COORDS -1.8905090000e+00  8.0526400000e-01 -6.5862000000e-01 -2.2314560000e+00  1.2456200000e-01 -7.8421000000e-02 -9.9759900000e-01  5.2462900000e-01 -8.5908700000e-01  1.7909070000e+00 -7.7099800000e-01  6.4395500000e-01  2.1570410000e+00  1.0771500000e-01  5.4375300000e-01  2.5526800000e+00 -1.3505610000e+00  6.3753700000e-01
+ENERGY -1.526561355352e+02
+FORCES  2.9254000000e-03 -4.8614000000e-03  2.0561000000e-03  5.1990000000e-04  2.9432000000e-03 -2.4310000000e-03 -4.0970000000e-03  2.4369000000e-03  1.6300000000e-05  5.7137000000e-03  7.2920000000e-04  3.9510000000e-04 -1.9713000000e-03 -3.8302000000e-03 -1.3400000000e-04 -3.0908000000e-03  2.5823000000e-03  9.7600000000e-05
+
+JOB 66
+COORDS  1.5447100000e+00 -1.4385340000e+00  8.8157000000e-02  1.8863610000e+00 -2.3277150000e+00 -5.9810000000e-03  5.9434100000e-01 -1.5485690000e+00  1.1855500000e-01 -1.4538620000e+00  1.5272900000e+00 -1.1347700000e-01 -2.3619770000e+00  1.6647580000e+00 -3.8303200000e-01 -1.5106960000e+00  9.0856100000e-01  6.1465500000e-01
+ENERGY -1.526532962463e+02
+FORCES -2.4596000000e-03 -3.8084000000e-03 -1.0403000000e-03 -1.3972000000e-03  3.7220000000e-03  4.0580000000e-04  3.6303000000e-03  1.7950000000e-04  9.0370000000e-04 -3.8657000000e-03 -1.0412000000e-03  2.1521000000e-03  3.8906000000e-03 -7.0350000000e-04  1.0936000000e-03  2.0150000000e-04  1.6517000000e-03 -3.5149000000e-03
+
+JOB 67
+COORDS -7.3205100000e-01 -1.9600300000e+00 -5.3399900000e-01 -1.7000800000e-01 -1.6685940000e+00  1.8391800000e-01 -1.6110800000e+00 -1.9843800000e+00 -1.5591500000e-01  7.4401200000e-01  1.9017830000e+00  4.1100400000e-01  2.9844700000e-01  1.7995870000e+00  1.2519920000e+00  1.2712610000e+00  2.6940830000e+00  5.1347600000e-01
+ENERGY -1.526537443902e+02
+FORCES -6.5110000000e-04  2.1128000000e-03  4.0094000000e-03 -2.8644000000e-03 -2.1526000000e-03 -2.2466000000e-03  3.4765000000e-03  2.2800000000e-05 -1.3358000000e-03  4.7760000000e-04  3.7454000000e-03  3.3483000000e-03  1.8538000000e-03 -4.0690000000e-04 -3.4209000000e-03 -2.2924000000e-03 -3.3215000000e-03 -3.5440000000e-04
+
+JOB 68
+COORDS  1.0589840000e+00  1.8949090000e+00 -3.2896400000e-01  1.9434770000e+00  1.6477320000e+00 -5.9134000000e-02  5.6721400000e-01  1.0737370000e+00 -3.2052300000e-01 -1.0511700000e+00 -1.7876600000e+00  2.6471600000e-01 -1.2371260000e+00 -2.7265490000e+00  2.7655500000e-01 -1.4059300000e+00 -1.4622960000e+00  1.0920710000e+00
+ENERGY -1.526562861376e+02
+FORCES  1.2489000000e-03 -5.2835000000e-03  5.5600000000e-04 -3.2787000000e-03  1.2781000000e-03 -9.0040000000e-04  2.4645000000e-03  4.9999000000e-03  4.8870000000e-04 -3.0305000000e-03 -3.7784000000e-03  3.2471000000e-03  6.2640000000e-04  3.8974000000e-03  2.5950000000e-04  1.9694000000e-03 -1.1135000000e-03 -3.6509000000e-03
+
+JOB 69
+COORDS -3.9857700000e-01 -1.9050480000e+00 -1.1287130000e+00 -1.0136050000e+00 -2.4510480000e+00 -6.3896200000e-01  6.0696000000e-02 -1.3998780000e+00 -4.5781600000e-01  3.5316600000e-01  1.9027590000e+00  1.0210780000e+00  1.1876760000e+00  1.4793730000e+00  8.1965900000e-01  4.9979800000e-01  2.3337830000e+00  1.8630690000e+00
+ENERGY -1.526542444853e+02
+FORCES -1.4673000000e-03  6.7150000000e-04  5.0342000000e-03  2.5968000000e-03  1.8456000000e-03 -2.0881000000e-03 -7.0090000000e-04 -2.7153000000e-03 -2.9588000000e-03  4.1986000000e-03  1.4663000000e-03  2.6873000000e-03 -4.0071000000e-03  6.4500000000e-04  9.0460000000e-04 -6.2010000000e-04 -1.9132000000e-03 -3.5792000000e-03
+
+JOB 70
+COORDS -4.3439100000e-01  1.2010610000e+00  1.7440180000e+00 -4.6254100000e-01  2.1420740000e+00  1.9170280000e+00 -5.5442000000e-02  8.2243500000e-01  2.5372850000e+00  3.6674900000e-01 -1.1916310000e+00 -1.7787580000e+00  6.6800400000e-01 -1.2784600000e+00 -2.6831580000e+00  8.9152500000e-01 -1.8249770000e+00 -1.2891520000e+00
+ENERGY -1.526527589126e+02
+FORCES  1.4050000000e-03  2.4079000000e-03  3.4694000000e-03  7.1600000000e-05 -3.8563000000e-03 -6.0610000000e-04 -1.4715000000e-03  1.3529000000e-03 -3.2851000000e-03  3.3378000000e-03 -2.6598000000e-03 -1.0448000000e-03 -1.3142000000e-03  4.8420000000e-04  3.6747000000e-03 -2.0287000000e-03  2.2711000000e-03 -2.2081000000e-03
+
+JOB 71
+COORDS  1.1156500000e-01  1.5913000000e-01 -2.2839730000e+00  3.4050800000e-01  1.0136040000e+00 -1.9183340000e+00  3.2630100000e-01 -4.6419800000e-01 -1.5900110000e+00 -1.2969000000e-01 -1.5680000000e-01  2.2832580000e+00 -4.4262700000e-01  3.8754300000e-01  1.5607670000e+00  2.5055000000e-02 -1.0146660000e+00  1.8878440000e+00
+ENERGY -1.526533030386e+02
+FORCES  2.6669000000e-03  1.0744000000e-03  3.2165000000e-03 -1.4773000000e-03 -3.9026000000e-03 -1.0228000000e-03 -1.5875000000e-03  2.7546000000e-03 -2.1141000000e-03 -1.5350000000e-03 -1.4692000000e-03 -3.6203000000e-03  2.2165000000e-03 -2.4218000000e-03  2.5472000000e-03 -2.8360000000e-04  3.9646000000e-03  9.9360000000e-04
+
+JOB 72
+COORDS  1.1247910000e+00 -7.0684000000e-02  2.0416690000e+00  3.8219100000e-01 -1.0831200000e-01  1.4388740000e+00  1.6962720000e+00  6.0484400000e-01  1.6765620000e+00 -1.1720950000e+00  6.5785000000e-02 -2.0291900000e+00 -1.2317950000e+00 -3.1866700000e-01 -1.1546250000e+00 -2.4820400000e-01 -1.7301000000e-02 -2.2653110000e+00
+ENERGY -1.526531101297e+02
+FORCES -5.0410000000e-04  3.3525000000e-03 -3.2198000000e-03  2.8188000000e-03 -5.5850000000e-04  1.5832000000e-03 -2.4277000000e-03 -3.1751000000e-03  1.3423000000e-03  3.0558000000e-03 -2.6232000000e-03  1.4780000000e-03  9.9820000000e-04  2.3250000000e-03 -2.7548000000e-03 -3.9410000000e-03  6.7930000000e-04  1.5711000000e-03
+
+JOB 73
+COORDS -3.2043000000e-02 -2.2879430000e+00 -1.2328500000e-01  1.1494500000e-01 -2.9197510000e+00 -8.2716300000e-01 -9.8205100000e-01 -2.1735970000e+00 -9.7952000000e-02  1.0330400000e-01  2.2841480000e+00  2.1719300000e-01  1.7948800000e-01  3.2251710000e+00  5.9385000000e-02 -4.3026100000e-01  1.9614450000e+00 -5.0903300000e-01
+ENERGY -1.526534241178e+02
+FORCES -3.1138000000e-03 -2.2817000000e-03 -2.2726000000e-03 -6.2600000000e-04  2.7225000000e-03  2.8474000000e-03  3.8678000000e-03 -2.9860000000e-04 -4.7390000000e-04 -1.5169000000e-03  1.9802000000e-03 -3.7569000000e-03 -2.8890000000e-04 -3.8667000000e-03  6.8480000000e-04  1.6778000000e-03  1.7444000000e-03  2.9713000000e-03
+
+JOB 74
+COORDS  1.4549000000e-01 -1.9343130000e+00  1.4862000000e+00  5.9280300000e-01 -1.4040050000e+00  8.2671900000e-01  3.2751000000e-01 -1.4907560000e+00  2.3146670000e+00 -2.2728000000e-01  1.8542100000e+00 -1.4620480000e+00  6.2627200000e-01  2.1812090000e+00 -1.1778800000e+00 -2.4237300000e-01  2.0115200000e+00 -2.4061130000e+00
+ENERGY -1.526543337777e+02
+FORCES  1.8710000000e-03  4.5470000000e-03  1.3240000000e-04 -1.0049000000e-03 -2.6864000000e-03  3.1936000000e-03 -5.0620000000e-04 -1.8949000000e-03 -3.1852000000e-03  2.8359000000e-03  2.5627000000e-03 -3.3372000000e-03 -3.3970000000e-03 -1.9338000000e-03 -8.1020000000e-04  2.0120000000e-04 -5.9470000000e-04  4.0066000000e-03
+
+JOB 75
+COORDS  3.5047600000e-01 -9.1427300000e-01  2.3408590000e+00  9.7227600000e-01 -1.5402330000e+00  1.9696840000e+00  1.6493800000e-01 -1.2513190000e+00  3.2173330000e+00 -3.5168900000e-01  9.4178700000e-01 -2.3141130000e+00 -1.2302900000e+00  8.7350200000e-01 -2.6877840000e+00  1.1320500000e-01  1.5378060000e+00 -2.9013670000e+00
+ENERGY -1.526534979064e+02
+FORCES  1.8965000000e-03 -3.8517000000e-03  1.4298000000e-03 -2.4623000000e-03  2.3713000000e-03  1.9464000000e-03  6.6810000000e-04  1.4441000000e-03 -3.5461000000e-03 -1.9236000000e-03  2.2981000000e-03 -3.4871000000e-03  3.6465000000e-03  2.5300000000e-04  1.3132000000e-03 -1.8252000000e-03 -2.5149000000e-03  2.3437000000e-03
+
+JOB 76
+COORDS -8.9595100000e-01  2.4823330000e+00  3.5241000000e-02 -1.5540710000e+00  1.9994330000e+00 -4.6467600000e-01 -1.3370100000e-01  2.5174680000e+00 -5.4266300000e-01  9.0101000000e-01 -2.5229650000e+00  3.2326000000e-02  1.2210980000e+00 -1.9500020000e+00 -6.6444400000e-01  4.1481600000e-01 -1.9414400000e+00  6.1685700000e-01
+ENERGY -1.526541999241e+02
+FORCES -1.8000000000e-05 -8.1340000000e-04 -4.6173000000e-03  3.0807000000e-03  1.6385000000e-03  2.2361000000e-03 -3.0650000000e-03 -6.8800000000e-04  2.5230000000e-03 -5.3310000000e-04  4.7373000000e-03  2.9900000000e-05 -1.4226000000e-03 -2.2376000000e-03  2.5881000000e-03  1.9580000000e-03 -2.6368000000e-03 -2.7597000000e-03
+
+JOB 77
+COORDS -5.4793900000e-01  2.2151880000e+00  1.3003880000e+00 -1.4374140000e+00  2.5552730000e+00  1.3973770000e+00  1.6745000000e-02  2.9404060000e+00  1.5676390000e+00  5.8478600000e-01 -2.2997920000e+00 -1.2685740000e+00  4.3257600000e-01 -1.3634310000e+00 -1.3962140000e+00  3.7001800000e-01 -2.6951970000e+00 -2.1134190000e+00
+ENERGY -1.526545212780e+02
+FORCES -1.3312000000e-03  4.3544000000e-03  2.0190000000e-03  3.6752000000e-03 -1.3405000000e-03 -5.5460000000e-04 -2.3731000000e-03 -2.9260000000e-03 -1.2194000000e-03 -1.5956000000e-03  2.7480000000e-03 -3.4748000000e-03  7.6770000000e-04 -4.3522000000e-03 -1.2640000000e-04  8.5690000000e-04  1.5164000000e-03  3.3562000000e-03
+
+JOB 78
+COORDS  3.3539000000e-01  2.9176820000e+00  1.4485100000e+00  2.4745600000e-01  3.6061630000e+00  7.8934900000e-01  1.1322510000e+00  2.4487210000e+00  1.2008820000e+00 -4.1854600000e-01 -2.8951380000e+00 -1.3599220000e+00 -4.9745800000e-01 -3.7826650000e+00 -1.7096380000e+00  4.2155300000e-01 -2.5797350000e+00 -1.6930690000e+00
+ENERGY -1.526537631792e+02
+FORCES  2.6947000000e-03  6.7370000000e-04 -3.7450000000e-03  4.3110000000e-04 -2.7497000000e-03  2.7022000000e-03 -3.1048000000e-03  2.0118000000e-03  9.8750000000e-04  2.9888000000e-03 -2.4050000000e-03 -2.7217000000e-03  3.4330000000e-04  3.6540000000e-03  1.4143000000e-03 -3.3531000000e-03 -1.1847000000e-03  1.3626000000e-03
+
+JOB 79
+COORDS  1.7408340000e+00  1.6978030000e+00  2.5756980000e+00  1.8400670000e+00  1.9526760000e+00  3.4929900000e+00  7.9956100000e-01  1.7545520000e+00  2.4113290000e+00 -1.6932710000e+00 -1.6453490000e+00 -2.6151820000e+00 -1.8883800000e+00 -2.3041030000e+00 -1.9486920000e+00 -1.4806540000e+00 -2.1523670000e+00 -3.3987380000e+00
+ENERGY -1.526540922318e+02
+FORCES -3.5305000000e-03  1.3210000000e-03  2.8442000000e-03 -3.7850000000e-04 -1.0707000000e-03 -3.7047000000e-03  3.8828000000e-03 -2.3830000000e-04  8.8290000000e-04  2.8450000000e-04 -4.7873000000e-03 -5.2560000000e-04  6.8710000000e-04  2.7268000000e-03 -2.6789000000e-03 -9.4540000000e-04  2.0484000000e-03  3.1821000000e-03
+
+JOB 80
+COORDS  7.4246700000e-01  1.9319900000e+00  2.9809730000e+00 -7.4135000000e-02  1.9509510000e+00  2.4819400000e+00  8.7790300000e-01  1.0065370000e+00  3.1845080000e+00 -6.7707800000e-01 -1.8315200000e+00 -2.9915520000e+00 -6.9576800000e-01 -2.7495870000e+00 -3.2618010000e+00 -1.1535120000e+00 -1.8159460000e+00 -2.1614920000e+00
+ENERGY -1.526538609651e+02
+FORCES -2.6547000000e-03 -3.6046000000e-03 -1.3232000000e-03  3.2619000000e-03 -1.7610000000e-04  2.1064000000e-03 -6.4250000000e-04  3.7336000000e-03 -8.0760000000e-04 -1.9999000000e-03 -3.7685000000e-03  2.0793000000e-03  6.3500000000e-05  3.7818000000e-03  1.1685000000e-03  1.9718000000e-03  3.3800000000e-05 -3.2234000000e-03
+
+JOB 81
+COORDS -3.8517400000e-01  3.6164450000e+00 -1.3522780000e+00  3.4539200000e-01  3.2356780000e+00 -8.6491600000e-01 -1.1660600000e+00  3.3193390000e+00 -8.8518200000e-01  3.8966900000e-01 -3.6396570000e+00  1.2700620000e+00 -3.6665100000e-01 -3.1199210000e+00  1.5422500000e+00  1.1456310000e+00 -3.0907860000e+00  1.4786170000e+00
+ENERGY -1.526538015287e+02
+FORCES -2.2500000000e-04 -2.6823000000e-03  3.7673000000e-03 -3.0121000000e-03  1.4834000000e-03 -1.9051000000e-03  3.2436000000e-03  1.1514000000e-03 -1.8346000000e-03  2.3300000000e-05  4.1689000000e-03  1.9861000000e-03  3.1228000000e-03 -1.9950000000e-03 -1.1410000000e-03 -3.1526000000e-03 -2.1264000000e-03 -8.7270000000e-04
+
+JOB 82
+COORDS  1.2152500000e-01 -3.6141790000e+00  1.5365080000e+00  8.0033900000e-01 -3.7322020000e+00  8.7204300000e-01  5.6797400000e-01 -3.7774830000e+00  2.3673190000e+00 -2.1696600000e-01  3.6585220000e+00 -1.6023020000e+00 -9.7352000000e-02  2.7197170000e+00 -1.4588810000e+00  1.9706500000e-01  4.0717140000e+00 -8.4462000000e-01
+ENERGY -1.526541613852e+02
+FORCES  4.5372000000e-03 -1.4128000000e-03  7.3350000000e-04 -2.7690000000e-03  6.3940000000e-04  2.7051000000e-03 -1.8036000000e-03  7.5320000000e-04 -3.4218000000e-03  2.0244000000e-03 -2.2364000000e-03  3.7558000000e-03 -3.6490000000e-04  3.8957000000e-03 -6.6210000000e-04 -1.6241000000e-03 -1.6390000000e-03 -3.1104000000e-03
+
+JOB 83
+COORDS -8.4341000000e-02  1.0107060000e+00  3.9343880000e+00  5.4733500000e-01  3.6534300000e-01  4.2517580000e+00 -9.2845700000e-01  7.0265000000e-01  4.2642380000e+00  6.2105000000e-02 -9.5212600000e-01 -4.0286500000e+00  4.8546700000e-01 -2.3051600000e-01 -3.5635960000e+00  2.3812100000e-01 -1.7221590000e+00 -3.4880040000e+00
+ENERGY -1.526541915780e+02
+FORCES -9.4590000000e-04 -3.8023000000e-03  2.8098000000e-03 -2.5552000000e-03  2.6023000000e-03 -1.4023000000e-03  3.4863000000e-03  1.2223000000e-03 -1.3867000000e-03  2.4208000000e-03 -7.6400000000e-05  4.1984000000e-03 -1.6915000000e-03 -3.0023000000e-03 -1.9837000000e-03 -7.1450000000e-04  3.0564000000e-03 -2.2356000000e-03
+
+JOB 84
+COORDS -1.0912480000e+00  4.3810020000e+00 -6.6879700000e-01 -7.1294600000e-01  3.5252250000e+00 -8.7070100000e-01 -1.2907340000e+00  4.7629060000e+00 -1.5235410000e+00  1.0862540000e+00 -4.3855590000e+00  6.6421100000e-01  4.1476700000e-01 -4.5765710000e+00  1.3190780000e+00  1.6540770000e+00 -3.7394310000e+00  1.0841250000e+00
+ENERGY -1.526541677117e+02
+FORCES  7.0330000000e-04 -1.9294000000e-03 -4.3812000000e-03 -1.5209000000e-03  3.4931000000e-03  8.9070000000e-04  8.1700000000e-04 -1.5442000000e-03  3.4999000000e-03 -4.0880000000e-04  1.7673000000e-03  4.4670000000e-03  2.7397000000e-03  8.0080000000e-04 -2.7019000000e-03 -2.3303000000e-03 -2.5876000000e-03 -1.7744000000e-03
+
+JOB 85
+COORDS -7.6087600000e-01  2.2294320000e+00 -4.1219860000e+00 -1.5996610000e+00  2.2803250000e+00 -3.6636400000e+00 -2.3716000000e-01  1.6237350000e+00 -3.5975000000e+00  7.5679900000e-01 -2.2600340000e+00  4.0894030000e+00  2.9594900000e-01 -1.4248690000e+00  4.1690760000e+00  1.5674290000e+00 -2.0438160000e+00  3.6285770000e+00
+ENERGY -1.526540000073e+02
+FORCES -1.3452000000e-03 -2.3087000000e-03  3.9185000000e-03  3.4628000000e-03 -1.8940000000e-04 -1.8266000000e-03 -2.1052000000e-03  2.5079000000e-03 -2.0767000000e-03  1.4976000000e-03  4.2564000000e-03 -1.4013000000e-03  1.8569000000e-03 -3.4062000000e-03 -4.2140000000e-04 -3.3669000000e-03 -8.6000000000e-04  1.8074000000e-03
+
+JOB 86
+COORDS -3.3179270000e+00 -1.0965000000e+00  3.8036110000e+00 -4.2157010000e+00 -1.4251610000e+00  3.7565310000e+00 -2.7750480000e+00 -1.8450610000e+00  3.5562840000e+00  3.3748340000e+00  1.2033640000e+00 -3.7795370000e+00  2.4203160000e+00  1.1509630000e+00 -3.8283190000e+00  3.6711150000e+00  3.0098100000e-01 -3.8985130000e+00
+ENERGY -1.526540300306e+02
+FORCES -1.4520000000e-03 -4.3855000000e-03 -1.1278000000e-03  3.6738000000e-03  1.3382000000e-03  1.6300000000e-04 -2.2164000000e-03  3.0539000000e-03  9.6330000000e-04 -2.7066000000e-03 -3.8521000000e-03 -6.4540000000e-04  3.9084000000e-03  1.8150000000e-04  1.6790000000e-04 -1.2071000000e-03  3.6639000000e-03  4.7900000000e-04
+
+JOB 87
+COORDS  3.7381590000e+00  1.8795000000e+00  3.5134520000e+00  4.0531890000e+00  2.4403590000e+00  2.8046320000e+00  2.9991190000e+00  2.3586680000e+00  3.8882190000e+00 -3.7169100000e+00 -1.9296550000e+00 -3.5619540000e+00 -3.6853090000e+00 -2.7149180000e+00 -3.0155150000e+00 -3.7122460000e+00 -1.2032090000e+00 -2.9386670000e+00
+ENERGY -1.526540869656e+02
+FORCES -1.6572000000e-03  4.2756000000e-03 -1.3480000000e-03 -1.3176000000e-03 -2.2986000000e-03  2.8937000000e-03  2.9787000000e-03 -1.9808000000e-03 -1.5447000000e-03  1.7380000000e-04 -2.8180000000e-04  4.7836000000e-03 -1.4890000000e-04  3.2165000000e-03 -2.2357000000e-03 -2.8700000000e-05 -2.9309000000e-03 -2.5490000000e-03
+
+JOB 88
+COORDS -5.5603180000e+00  6.2179090000e+00  1.1431440000e+00 -4.8437320000e+00  6.5029030000e+00  5.7612100000e-01 -6.3505080000e+00  6.3639130000e+00  6.2303400000e-01  5.5920300000e+00 -6.2975310000e+00 -1.0549990000e+00  4.6667380000e+00 -6.1069450000e+00 -1.2090930000e+00  6.0561750000e+00 -5.5435850000e+00 -1.4188220000e+00
+ENERGY -1.526540697207e+02
+FORCES -3.1490000000e-04  1.7755000000e-03 -4.4241000000e-03 -2.9157000000e-03 -1.1743000000e-03  2.3087000000e-03  3.2306000000e-03 -6.0200000000e-04  2.1168000000e-03 -1.8873000000e-03  3.8549000000e-03 -2.0972000000e-03  3.7783000000e-03 -7.7810000000e-04  6.1890000000e-04 -1.8910000000e-03 -3.0760000000e-03  1.4769000000e-03
+
+JOB 89
+COORDS -1.3801464000e+01  3.0351700000e-01 -1.4926620000e+00 -1.3251499000e+01  9.3644200000e-01 -1.0309500000e+00 -1.3427574000e+01 -5.4843300000e-01 -1.2676770000e+00  1.3701571000e+01 -2.6854000000e-01  1.4934870000e+00  1.4493923000e+01 -7.5190400000e-01  1.7275130000e+00  1.3745868000e+01 -1.8171100000e-01  5.4126300000e-01
+ENERGY -1.526540801287e+02
+FORCES  3.7710000000e-03 -8.9250000000e-04  2.8027000000e-03 -2.2448000000e-03 -2.5818000000e-03 -1.8841000000e-03 -1.5266000000e-03  3.4742000000e-03 -9.1870000000e-04  3.4169000000e-03 -1.6162000000e-03 -2.9296000000e-03 -3.2336000000e-03  1.9710000000e-03 -9.5460000000e-04 -1.8300000000e-04 -3.5480000000e-04  3.8843000000e-03
+
+JOB 0
+COORDS -7.7376200000e-01 -7.6355900000e-01 -7.6935000000e-01 -2.1819900000e-01 -2.9544700000e-01 -1.4609000000e-01 -8.5884200000e-01 -1.6431340000e+00 -4.0146100000e-01  7.2974800000e-01  7.2711400000e-01  6.7896500000e-01  1.2521800000e-01  1.4490680000e+00  8.5088800000e-01  1.5696960000e+00  1.0301510000e+00  1.0237670000e+00
+ENERGY -1.526567244675e+02
+FORCES  1.2835500000e-02  7.8869000000e-03  1.0625900000e-02 -7.7239000000e-03  1.1257000000e-03 -9.0260000000e-04  1.5064000000e-03  2.8609000000e-03  3.7100000000e-05 -5.1385000000e-03 -7.9265000000e-03 -8.1249000000e-03  3.7540000000e-03 -4.9170000000e-03 -1.0742000000e-03 -5.2336000000e-03  9.7010000000e-04 -5.6130000000e-04
+
+JOB 1
+COORDS  3.7360000000e-02  1.0401630000e+00 -7.2127500000e-01 -8.2868100000e-01  1.2887990000e+00 -1.0443610000e+00  2.8165200000e-01  1.7456180000e+00 -1.2220500000e-01  4.9303000000e-02 -1.1164620000e+00  7.3587800000e-01  3.9913000000e-02 -4.8689400000e-01  1.4915000000e-02 -8.7421300000e-01 -1.3076420000e+00  8.9958500000e-01
+ENERGY -1.526571743463e+02
+FORCES -8.3490000000e-04 -5.8843000000e-03  1.0344400000e-02  3.9957000000e-03 -2.1894000000e-03  3.2662000000e-03 -2.5082000000e-03 -2.4458000000e-03 -4.3132000000e-03 -1.7998000000e-03  1.6457100000e-02 -1.1906100000e-02 -9.2890000000e-04 -7.9391000000e-03  4.0137000000e-03  2.0762000000e-03  2.0015000000e-03 -1.4050000000e-03
+
+JOB 2
+COORDS -1.0226100000e+00  8.7400200000e-01 -7.2037000000e-02 -1.5445670000e+00  6.4683400000e-01 -8.4157500000e-01 -1.3550100000e-01  5.8887400000e-01 -2.9105900000e-01  9.4899600000e-01 -8.7043000000e-01  1.1533100000e-01  1.6035440000e+00 -4.2538500000e-01 -4.2293800000e-01  1.2540060000e+00 -7.4788400000e-01  1.0143210000e+00
+ENERGY -1.526522037959e+02
+FORCES  1.0447800000e-02 -1.4151800000e-02 -5.7250000000e-04  2.5476000000e-03  4.5000000000e-04  2.0929000000e-03  1.0649000000e-03  7.9026000000e-03 -3.3084000000e-03 -4.2855000000e-03  3.8578000000e-03  4.9912000000e-03 -9.0064000000e-03  2.1283000000e-03  2.3077000000e-03 -7.6840000000e-04 -1.8680000000e-04 -5.5111000000e-03
+
+JOB 3
+COORDS -5.8568500000e-01 -9.3361900000e-01 -6.2547800000e-01 -7.9202900000e-01 -1.8380710000e+00 -3.8963700000e-01 -4.2723700000e-01 -9.6182600000e-01 -1.5690510000e+00  5.8854300000e-01  1.0135310000e+00  7.3741700000e-01  1.2416000000e-01  2.7431500000e-01  3.4481200000e-01  1.0685170000e+00  1.4091710000e+00  9.8690000000e-03
+ENERGY -1.526583634151e+02
+FORCES  5.0677000000e-03  4.9462000000e-03  3.2672000000e-03  1.0450000000e-03  4.3349000000e-03 -2.7637000000e-03 -7.5880000000e-04 -9.1470000000e-04  4.7896000000e-03 -6.7581000000e-03 -1.2552400000e-02 -1.0607400000e-02  2.9306000000e-03  5.5757000000e-03  4.2783000000e-03 -1.5265000000e-03 -1.3895000000e-03  1.0361000000e-03
+
+JOB 4
+COORDS  7.8799000000e-02  6.3085700000e-01 -1.1511710000e+00  9.0968500000e-01  9.9406000000e-01 -8.4466900000e-01  2.8217200000e-01  2.5646900000e-01 -2.0083200000e+00 -1.8554700000e-01 -6.0740400000e-01  1.2374470000e+00  5.6589200000e-01 -1.1974010000e+00  1.2963950000e+00 -2.4870700000e-01 -3.9145200000e-01  3.0706700000e-01
+ENERGY -1.526592217619e+02
+FORCES  3.3763000000e-03  6.8800000000e-05  3.0219000000e-03 -4.1391000000e-03 -3.9014000000e-03 -2.2295000000e-03  3.0000000000e-06  1.3272000000e-03  5.4025000000e-03  1.0359000000e-03  3.7796000000e-03 -1.3933300000e-02 -1.5128000000e-03  2.7849000000e-03 -1.3407000000e-03  1.2367000000e-03 -4.0592000000e-03  9.0792000000e-03
+
+JOB 5
+COORDS -3.2380000000e-03 -8.1175300000e-01  1.0082070000e+00  5.5173900000e-01 -1.5894760000e+00  9.5008000000e-01 -2.0811400000e-01 -7.3221100000e-01  1.9398350000e+00 -4.5890000000e-03  8.2577600000e-01 -1.1181280000e+00  2.5644400000e-01  4.3465100000e-01 -2.8439300000e-01 -4.5747600000e-01  1.6327350000e+00 -8.7329700000e-01
+ENERGY -1.526583028461e+02
+FORCES -8.2800000000e-05  1.0563000000e-03 -2.7324000000e-03 -2.7426000000e-03  4.5375000000e-03  1.0926000000e-03  1.0639000000e-03 -9.8030000000e-04 -4.7423000000e-03 -1.8749000000e-03 -6.8869000000e-03  1.2834800000e-02  2.4329000000e-03  4.7996000000e-03 -6.6754000000e-03  1.2035000000e-03 -2.5262000000e-03  2.2270000000e-04
+
+JOB 6
+COORDS -9.4096700000e-01  3.1481900000e-01 -8.7171800000e-01 -1.6078320000e+00  8.5081500000e-01 -4.4249600000e-01 -5.8525900000e-01  8.7876800000e-01 -1.5584970000e+00  9.7363800000e-01 -4.4472400000e-01  9.1178100000e-01  1.3068910000e+00  3.9220300000e-01  1.2353970000e+00  4.5753500000e-01 -2.1491500000e-01  1.3908600000e-01
+ENERGY -1.526588902118e+02
+FORCES -3.3910000000e-04  2.0303000000e-03  4.5994000000e-03  3.6762000000e-03 -1.5719000000e-03 -3.4838000000e-03 -2.8260000000e-04 -2.7679000000e-03  5.6001000000e-03 -1.0391600000e-02  5.9154000000e-03 -9.4306000000e-03 -1.7011000000e-03 -1.8407000000e-03 -1.4872000000e-03  9.0383000000e-03 -1.7653000000e-03  4.2021000000e-03
+
+JOB 7
+COORDS  7.8168900000e-01  1.8793000000e-01 -1.0365870000e+00  4.1580300000e-01  1.9794000000e-02 -1.9049700000e+00  1.2771450000e+00  1.0006040000e+00 -1.1381610000e+00 -7.8151300000e-01 -2.6474800000e-01  1.1557710000e+00 -1.5347350000e+00  2.7990100000e-01  9.2719400000e-01 -1.8573700000e-01 -1.7472600000e-01  4.1201100000e-01
+ENERGY -1.526603135343e+02
+FORCES -2.6788000000e-03  1.3217000000e-03  1.9112000000e-03  1.9501000000e-03  2.2218000000e-03  4.2485000000e-03 -3.0601000000e-03 -4.0589000000e-03 -1.0023000000e-03  6.9146000000e-03  4.0715000000e-03 -1.2669600000e-02  1.9470000000e-03 -1.3509000000e-03  1.7440000000e-04 -5.0728000000e-03 -2.2051000000e-03  7.3379000000e-03
+
+JOB 8
+COORDS -1.1391700000e+00  7.4126300000e-01 -3.9898900000e-01 -1.6842680000e+00  1.4304800000e-01  1.1212700000e-01 -2.4881100000e-01  5.8130800000e-01 -8.6085000000e-02  1.1054140000e+00 -7.0614900000e-01  2.9010300000e-01  6.7785100000e-01 -1.1065580000e+00  1.0471340000e+00  1.7930430000e+00 -1.5638300000e-01  6.6580800000e-01
+ENERGY -1.526558685505e+02
+FORCES  1.1146900000e-02 -1.0212400000e-02  3.6022000000e-03  1.6624000000e-03  1.4797000000e-03 -6.9940000000e-04 -5.5682000000e-03  7.0668000000e-03  1.4230000000e-03 -1.3801000000e-03 -1.3873000000e-03  2.6809000000e-03  4.4710000000e-04  4.1193000000e-03 -4.4535000000e-03 -6.3081000000e-03 -1.0660000000e-03 -2.5533000000e-03
+
+JOB 9
+COORDS  1.2285060000e+00 -5.3884300000e-01  1.4994800000e-01  1.8988250000e+00  4.6271000000e-02  5.0285800000e-01  8.9037000000e-01 -1.0051640000e+00  9.1443500000e-01 -1.2806930000e+00  5.6186000000e-01 -1.7028300000e-01 -1.6548460000e+00  2.0185700000e-01 -9.7442200000e-01 -3.4465400000e-01  3.7259400000e-01 -2.3540900000e-01
+ENERGY -1.526612138040e+02
+FORCES -1.8421000000e-03 -4.8770000000e-04  4.8530000000e-03 -4.6684000000e-03 -2.4783000000e-03 -1.4772000000e-03  2.2299000000e-03  3.3587000000e-03 -4.3039000000e-03  1.2052200000e-02 -5.3101000000e-03 -2.3361000000e-03  1.7510000000e-03  5.1720000000e-04  2.5146000000e-03 -9.5227000000e-03  4.4001000000e-03  7.4950000000e-04
+
+JOB 10
+COORDS  4.5691800000e-01  9.3588400000e-01  8.3361300000e-01  1.1503360000e+00  1.5957350000e+00  8.3415600000e-01 -3.4863200000e-01  1.4343940000e+00  6.9646900000e-01 -4.3169700000e-01 -1.0635920000e+00 -8.3369100000e-01 -1.8698600000e-01 -4.5108000000e-01 -1.4002100000e-01 -1.0409030000e+00 -5.7170200000e-01 -1.3842760000e+00
+ENERGY -1.526571068132e+02
+FORCES  1.9788000000e-03  5.3180000000e-04 -4.2660000000e-03 -4.7222000000e-03 -1.5232000000e-03  7.5510000000e-04  3.8404000000e-03 -5.3310000000e-03 -1.8838000000e-03  5.2097000000e-03  9.9175000000e-03  6.1881000000e-03 -8.0860000000e-03 -3.3874000000e-03 -3.5348000000e-03  1.7794000000e-03 -2.0770000000e-04  2.7414000000e-03
+
+JOB 11
+COORDS -2.2857900000e-01  1.4034660000e+00  6.2750000000e-03 -2.0506400000e-01  4.6446000000e-01 -1.7797300000e-01 -6.2395200000e-01  1.4676190000e+00  8.7564000000e-01  2.5747100000e-01 -1.3032670000e+00 -9.1442000000e-02 -5.3790400000e-01 -1.7440470000e+00  2.0742900000e-01  9.6057500000e-01 -1.7045210000e+00  4.1931300000e-01
+ENERGY -1.526588380526e+02
+FORCES  2.6925000000e-03 -1.3918600000e-02  1.7337000000e-03 -5.3511000000e-03  7.9165000000e-03 -4.3660000000e-04  9.1150000000e-04 -8.2740000000e-04 -2.3202000000e-03  2.4193000000e-03  2.1732000000e-03  3.7113000000e-03  3.9741000000e-03  4.4331000000e-03 -6.0660000000e-04 -4.6463000000e-03  2.2330000000e-04 -2.0816000000e-03
+
+JOB 12
+COORDS -6.4721800000e-01 -1.1973930000e+00  4.1986500000e-01 -8.4519500000e-01 -1.6015480000e+00 -4.2494000000e-01 -3.1660400000e-01 -3.2696100000e-01  1.9788800000e-01  6.2608600000e-01  1.1125460000e+00 -3.8994800000e-01  1.2495210000e+00  1.2554420000e+00  3.2219000000e-01  2.2529400000e-01  1.9698330000e+00 -5.3367100000e-01
+ENERGY -1.526610313967e+02
+FORCES  5.5975000000e-03  1.0898500000e-02 -7.6347000000e-03  1.8990000000e-04  1.2118000000e-03  2.1949000000e-03 -3.3940000000e-03 -7.6943000000e-03  5.4268000000e-03 -7.1700000000e-05  6.8210000000e-04  2.3220000000e-03 -4.8472000000e-03 -7.0660000000e-04 -3.5006000000e-03  2.5255000000e-03 -4.3914000000e-03  1.1916000000e-03
+
+JOB 13
+COORDS  1.2145860000e+00  3.4135600000e-01 -3.6428100000e-01  2.0841610000e+00 -3.1918000000e-02 -2.2027700000e-01  1.3598650000e+00  1.0560220000e+00 -9.8426500000e-01 -1.2871980000e+00 -3.9167400000e-01  4.5690600000e-01 -1.9214960000e+00 -1.2142100000e-01 -2.0706800000e-01 -4.3499900000e-01 -1.8697400000e-01  7.2084000000e-02
+ENERGY -1.526600936962e+02
+FORCES -1.8797000000e-03 -1.1497000000e-03  1.4203000000e-03 -3.2456000000e-03  3.3635000000e-03 -1.7936000000e-03 -3.2900000000e-05 -3.9448000000e-03  2.7412000000e-03  1.1165500000e-02  3.5435000000e-03 -5.2037000000e-03  2.9159000000e-03  7.3200000000e-05  1.2743000000e-03 -8.9232000000e-03 -1.8857000000e-03  1.5615000000e-03
+
+JOB 14
+COORDS -2.8351300000e-01 -1.0545270000e+00 -7.7092200000e-01  3.1086500000e-01 -1.7749440000e+00 -9.8055400000e-01 -5.0407400000e-01 -6.7068100000e-01 -1.6195960000e+00  2.3590200000e-01  1.1132300000e+00  8.7532700000e-01 -1.8585900000e-01  4.5862600000e-01  3.1869100000e-01  1.1636270000e+00  1.0620740000e+00  6.4523900000e-01
+ENERGY -1.526586167396e+02
+FORCES  3.7809000000e-03  3.0670000000e-04  5.3430000000e-04 -2.9825000000e-03  3.6991000000e-03 -6.8160000000e-04  2.0174000000e-03 -7.5220000000e-04  5.5951000000e-03  8.9930000000e-04 -1.2391900000e-02 -7.9874000000e-03 -1.9661000000e-03  8.1189000000e-03  1.5652000000e-03 -1.7490000000e-03  1.0194000000e-03  9.7430000000e-04
+
+JOB 15
+COORDS -2.4571000000e-01  8.3687200000e-01 -1.1422720000e+00 -1.4542200000e-01  4.6374400000e-01 -2.6651600000e-01  6.4986000000e-01  9.3263700000e-01 -1.4663330000e+00  1.9208700000e-01 -7.5258400000e-01  1.0863580000e+00 -4.0936500000e-01 -1.0970360000e+00  1.7465400000e+00  7.0417200000e-01 -1.5121080000e+00  8.0864500000e-01
+ENERGY -1.526603934013e+02
+FORCES  3.8780000000e-03 -6.3140000000e-03  1.0508900000e-02 -9.5800000000e-04  5.8087000000e-03 -7.3611000000e-03 -2.3139000000e-03 -1.3250000000e-03  1.0790000000e-03 -1.7495000000e-03 -2.1578000000e-03 -3.2492000000e-03  3.4822000000e-03  5.0470000000e-04 -3.2605000000e-03 -2.3388000000e-03  3.4833000000e-03  2.2829000000e-03
+
+JOB 16
+COORDS -9.0136700000e-01 -2.2418200000e-01  1.0739930000e+00 -5.5174400000e-01  5.4143000000e-02  2.2751200000e-01 -1.8389660000e+00 -3.4006600000e-01  9.2001000000e-01  8.7284800000e-01  2.4595100000e-01 -1.0132490000e+00  1.0563130000e+00 -5.3944100000e-01 -1.5287420000e+00  1.7142680000e+00  4.7651300000e-01 -6.1944100000e-01
+ENERGY -1.526610884813e+02
+FORCES  5.2145000000e-03  2.6051000000e-03 -9.0459000000e-03 -7.9217000000e-03 -1.7531000000e-03  7.3806000000e-03  3.6958000000e-03  2.4610000000e-04 -1.3855000000e-03  3.0433000000e-03 -3.4039000000e-03  3.7547000000e-03 -5.9070000000e-04  3.9129000000e-03  2.3589000000e-03 -3.4412000000e-03 -1.6071000000e-03 -3.0629000000e-03
+
+JOB 17
+COORDS -1.0063590000e+00 -8.7438700000e-01  2.7333700000e-01 -1.1118510000e+00 -1.7556810000e+00  6.3170100000e-01 -1.2352400000e+00 -9.6256600000e-01 -6.5190300000e-01  1.0720400000e+00  9.6010300000e-01 -2.1066400000e-01  7.6359500000e-01  8.9916000000e-02  4.2060000000e-02  5.4388400000e-01  1.1892030000e+00 -9.7538400000e-01
+ENERGY -1.526569352519e+02
+FORCES -2.2724000000e-03 -1.5273000000e-03 -2.0964000000e-03  1.2855000000e-03  4.7040000000e-03 -2.1822000000e-03  3.1220000000e-03  1.4037000000e-03  4.4559000000e-03 -1.0567700000e-02 -7.0999000000e-03  1.6289000000e-03  6.8429000000e-03  3.4305000000e-03 -3.0718000000e-03  1.5897000000e-03 -9.1100000000e-04  1.2656000000e-03
+
+JOB 18
+COORDS -5.8585200000e-01  7.0052400000e-01 -1.0262970000e+00  2.4118600000e-01  6.1419400000e-01 -1.5004150000e+00 -7.5544900000e-01  1.6424230000e+00 -1.0091330000e+00  5.9872700000e-01 -7.3061600000e-01  1.0925870000e+00  1.5428700000e-01 -1.5757800000e+00  1.0262270000e+00  1.3204200000e-01 -1.6509100000e-01  4.7726700000e-01
+ENERGY -1.526613561432e+02
+FORCES  2.3516000000e-03  2.7728000000e-03 -1.6318000000e-03 -4.4859000000e-03  3.1450000000e-04  4.6919000000e-03  1.7077000000e-03 -4.8497000000e-03 -3.9960000000e-04 -8.6038000000e-03  4.1842000000e-03 -7.9218000000e-03  1.5154000000e-03  2.4598000000e-03 -2.4130000000e-04  7.5151000000e-03 -4.8816000000e-03  5.5026000000e-03
+
+JOB 19
+COORDS -6.3348400000e-01  5.8128700000e-01 -1.1679510000e+00 -4.7885800000e-01  3.2702300000e-01 -2.5818600000e-01 -7.6412000000e-02  1.3482690000e+00 -1.3007740000e+00  5.5096900000e-01 -5.5951600000e-01  1.0948060000e+00  1.2119690000e+00 -1.0819350000e+00  6.4050600000e-01  4.7613100000e-01 -9.6548900000e-01  1.9584130000e+00
+ENERGY -1.526610810953e+02
+FORCES  4.5207000000e-03 -1.2698000000e-03  9.8744000000e-03 -2.9305000000e-03  3.3528000000e-03 -7.7351000000e-03 -1.1361000000e-03 -2.7257000000e-03  2.5870000000e-04  8.5030000000e-04 -2.7667000000e-03 -1.8013000000e-03 -2.7271000000e-03  2.3560000000e-03  3.7688000000e-03  1.4227000000e-03  1.0534000000e-03 -4.3655000000e-03
+
+JOB 20
+COORDS  7.4544100000e-01  8.6520800000e-01  9.0564900000e-01  1.9503000000e-01  4.2578000000e-01  2.5743500000e-01  1.2255000000e+00  1.5599200000e-01  1.3331850000e+00 -7.6084500000e-01 -7.3438700000e-01 -8.7167300000e-01  2.5331000000e-02 -9.5351100000e-01 -1.3718160000e+00 -1.2150170000e+00 -1.5695940000e+00 -7.6036400000e-01
+ENERGY -1.526592974033e+02
+FORCES -7.1370000000e-03 -8.7785000000e-03 -4.5427000000e-03  8.1643000000e-03  5.0193000000e-03  1.6417000000e-03 -9.8630000000e-04  1.8225000000e-03 -1.7016000000e-03  1.4740000000e-04 -3.4119000000e-03  1.0210000000e-03 -3.3334000000e-03  2.0294000000e-03  5.3671000000e-03  3.1451000000e-03  3.3191000000e-03 -1.7856000000e-03
+
+JOB 21
+COORDS -2.4098300000e-01 -4.6179700000e-01 -1.3728270000e+00 -1.1227710000e+00 -8.9534000000e-02 -1.3627190000e+00  2.0138800000e-01 -5.1195000000e-02 -6.2989600000e-01  2.2023200000e-01  3.8820400000e-01  1.2867210000e+00  1.5183900000e-01  1.2466320000e+00  1.7046390000e+00  1.0597760000e+00  4.0843000000e-02  1.5879460000e+00
+ENERGY -1.526592713208e+02
+FORCES -1.9099000000e-03  5.3231000000e-03  1.2051900000e-02  2.0269000000e-03 -9.3690000000e-04 -1.4081000000e-03  2.3894000000e-03 -3.1300000000e-03 -7.7029000000e-03  1.2988000000e-03  7.2610000000e-04  2.1106000000e-03  3.5900000000e-04 -4.5841000000e-03 -1.9708000000e-03 -4.1641000000e-03  2.6019000000e-03 -3.0808000000e-03
+
+JOB 22
+COORDS -7.0510000000e-02  1.5147600000e-01 -1.4263140000e+00 -5.2682900000e-01  8.5327500000e-01 -1.8905160000e+00 -3.9388300000e-01  2.0860400000e-01 -5.2720400000e-01  1.6968500000e-01 -2.2463300000e-01  1.3788430000e+00 -9.4800000000e-03  7.1340100000e-01  1.4438230000e+00 -6.2090500000e-01 -6.4404800000e-01  1.7183870000e+00
+ENERGY -1.526547619333e+02
+FORCES -2.7290000000e-04 -1.2681000000e-03  7.6025000000e-03  1.6436000000e-03 -2.2507000000e-03  4.1298000000e-03 -3.3554000000e-03  5.2991000000e-03 -6.4401000000e-03 -2.9090000000e-04  8.8530000000e-04  3.6181000000e-03 -1.3067000000e-03 -5.7329000000e-03 -4.9911000000e-03  3.5823000000e-03  3.0673000000e-03 -3.9192000000e-03
+
+JOB 23
+COORDS  5.3392300000e-01 -1.2268700000e+00  5.7001700000e-01  1.4784520000e+00 -1.3264260000e+00  4.5092000000e-01  3.6424000000e-01 -3.0387100000e-01  3.8157100000e-01 -5.8245000000e-01  1.1444760000e+00 -4.9416700000e-01 -7.8687000000e-01  8.2642700000e-01 -1.3735350000e+00 -3.5439800000e-01  2.0656760000e+00 -6.1913100000e-01
+ENERGY -1.526610818536e+02
+FORCES -1.2056000000e-03  9.3517000000e-03 -2.6798000000e-03 -3.1233000000e-03  1.2719000000e-03 -2.2070000000e-04  4.3981000000e-03 -9.0178000000e-03  2.7835000000e-03 -8.3470000000e-04  1.7630000000e-04 -3.7803000000e-03  1.6601000000e-03  2.9218000000e-03  4.1821000000e-03 -8.9460000000e-04 -4.7038000000e-03 -2.8480000000e-04
+
+JOB 24
+COORDS  1.3614500000e-01  5.1492900000e-01  1.2634250000e+00  4.0527500000e-01  1.4193400000e-01  2.1028750000e+00  6.4091200000e-01  1.3246920000e+00  1.1877490000e+00 -1.3317800000e-01 -5.5518000000e-01 -1.3558480000e+00 -1.0530900000e+00 -3.2215900000e-01 -1.4811300000e+00 -6.1430000000e-03 -5.2959700000e-01 -4.0746000000e-01
+ENERGY -1.526609335781e+02
+FORCES  3.0741000000e-03  3.2535000000e-03 -5.8600000000e-05 -8.6940000000e-04  1.8225000000e-03 -4.5432000000e-03 -2.4150000000e-03 -3.9447000000e-03  2.0805000000e-03 -2.2229000000e-03  4.1482000000e-03  1.0625900000e-02  2.6753000000e-03 -6.0020000000e-04 -2.1010000000e-04 -2.4220000000e-04 -4.6792000000e-03 -7.8945000000e-03
+
+JOB 25
+COORDS -4.3660400000e-01  7.4119000000e-01 -1.0991440000e+00 -7.9781000000e-02  1.5653500000e-01 -1.7677910000e+00 -6.0640000000e-03  1.5808290000e+00 -1.2600010000e+00  3.4057800000e-01 -7.8749500000e-01  1.1836870000e+00  1.2840650000e+00 -8.1936200000e-01  1.3419540000e+00  2.4956700000e-01 -2.8055100000e-01  3.7686800000e-01
+ENERGY -1.526596564016e+02
+FORCES  5.9570000000e-04  2.5865000000e-03 -3.6246000000e-03 -1.0690000000e-04  2.7070000000e-03  6.2222000000e-03 -1.4479000000e-03 -5.0988000000e-03  6.8920000000e-04 -1.4255000000e-03  6.8228000000e-03 -7.5383000000e-03 -3.0883000000e-03  9.6250000000e-04 -1.9199000000e-03  5.4729000000e-03 -7.9800000000e-03  6.1714000000e-03
+
+JOB 26
+COORDS  1.9065000000e-02  1.3979800000e+00 -4.4260400000e-01 -5.1250200000e-01  1.5820150000e+00 -1.2170710000e+00 -1.0000000000e-05  4.4458900000e-01 -3.5945300000e-01  3.1594000000e-02 -1.3254670000e+00  5.5016200000e-01  6.2572100000e-01 -1.6965780000e+00 -1.0215900000e-01 -8.3861100000e-01 -1.4178470000e+00  1.6229500000e-01
+ENERGY -1.526565662913e+02
+FORCES -2.7640000000e-04 -8.0286000000e-03  2.5791000000e-03  1.5009000000e-03 -2.8423000000e-03  3.2061000000e-03 -2.2058000000e-03  6.6208000000e-03 -7.5318000000e-03 -1.0163000000e-03 -4.8552000000e-03 -5.1960000000e-04 -4.1218000000e-03  4.8875000000e-03  2.3593000000e-03  6.1194000000e-03  4.2178000000e-03 -9.3200000000e-05
+
+JOB 27
+COORDS  1.2687840000e+00 -7.7545000000e-01 -5.4303000000e-02  5.5544800000e-01 -1.6646600000e-01  1.3680800000e-01  9.1080500000e-01 -1.6379460000e+00  1.5589600000e-01 -1.1470710000e+00  8.1405600000e-01  2.3749000000e-02 -1.7563380000e+00  5.6439300000e-01 -6.7101300000e-01 -1.6225320000e+00  6.3620400000e-01  8.3525200000e-01
+ENERGY -1.526602628582e+02
+FORCES -1.0170600000e-02  4.2252000000e-03  6.9810000000e-04  8.3222000000e-03 -5.8031000000e-03  1.9320000000e-03  6.2590000000e-04  2.6309000000e-03 -5.6580000000e-04 -4.2159000000e-03 -1.5391000000e-03 -2.1459000000e-03  2.0266000000e-03  1.1337000000e-03  4.4545000000e-03  3.4118000000e-03 -6.4770000000e-04 -4.3729000000e-03
+
+JOB 28
+COORDS -1.4141770000e+00 -1.7965000000e-01 -4.4901100000e-01 -4.6819300000e-01 -7.9884000000e-02 -3.4227000000e-01 -1.6404960000e+00 -9.2762800000e-01  1.0374600000e-01  1.3832320000e+00  2.7496200000e-01  3.6737700000e-01  9.5014000000e-01  2.6577600000e-01  1.2209460000e+00  1.6430880000e+00 -6.3447700000e-01  2.2031500000e-01
+ENERGY -1.526579787022e+02
+FORCES  8.7401000000e-03  2.3700000000e-04  1.9647000000e-03 -9.2853000000e-03 -4.4456000000e-03  5.1580000000e-04  2.2993000000e-03  2.8767000000e-03 -1.0921000000e-03  2.6497000000e-03 -1.9362000000e-03  5.0922000000e-03  2.2710000000e-04 -1.5101000000e-03 -6.5752000000e-03 -4.6309000000e-03  4.7782000000e-03  9.4600000000e-05
+
+JOB 29
+COORDS -1.0189720000e+00  8.4779400000e-01 -5.6772700000e-01 -5.1056000000e-01  1.1347880000e+00 -1.3262670000e+00 -9.2865300000e-01  1.5601850000e+00  6.5182000000e-02  9.8147100000e-01 -9.5648800000e-01  6.1235800000e-01  1.7522960000e+00 -5.4990100000e-01  2.1644400000e-01  2.5391200000e-01 -3.8806800000e-01  3.5979800000e-01
+ENERGY -1.526594038502e+02
+FORCES  3.6480000000e-04  5.0653000000e-03 -2.9021000000e-03 -1.3960000000e-03 -1.6955000000e-03  5.0582000000e-03  1.5574000000e-03 -5.4986000000e-03 -2.9116000000e-03 -5.9428000000e-03  6.6022000000e-03 -5.7029000000e-03 -2.7086000000e-03 -6.5420000000e-04  8.8300000000e-04  8.1253000000e-03 -3.8192000000e-03  5.5754000000e-03
+
+JOB 30
+COORDS  1.9879800000e-01  9.5429200000e-01  1.1658240000e+00  1.0995040000e+00  7.0011700000e-01  9.6493800000e-01 -3.2637000000e-01  5.3652100000e-01  4.8325700000e-01 -2.1919200000e-01 -8.8299600000e-01 -1.0571030000e+00  4.9304000000e-01 -1.3466450000e+00 -1.4975420000e+00 -9.7114600000e-01 -9.8913200000e-01 -1.6397970000e+00
+ENERGY -1.526589407159e+02
+FORCES  1.1996000000e-03 -7.7121000000e-03 -8.9441000000e-03 -1.1408000000e-03  1.5648000000e-03  1.8716000000e-03 -1.8174000000e-03  5.2307000000e-03  5.1053000000e-03  1.6382000000e-03 -1.7876000000e-03 -2.4928000000e-03 -3.5572000000e-03  1.9340000000e-03  1.4725000000e-03  3.6776000000e-03  7.7030000000e-04  2.9875000000e-03
+
+JOB 31
+COORDS -4.6313700000e-01  1.0302680000e+00 -8.2653600000e-01 -4.9497300000e-01  1.0157400000e+00 -1.7830960000e+00 -3.8216700000e-01  1.9575120000e+00 -6.0316500000e-01  4.6547700000e-01 -1.0855840000e+00  9.3623600000e-01  7.9355000000e-01 -1.6864560000e+00  2.6724200000e-01  2.4573000000e-02 -3.9421700000e-01  4.4242700000e-01
+ENERGY -1.526608909609e+02
+FORCES  1.3195000000e-03  2.1463000000e-03 -1.8361000000e-03  3.5430000000e-04  1.0452000000e-03  4.2603000000e-03 -6.3360000000e-04 -4.1615000000e-03 -2.1495000000e-03 -2.4136000000e-03  5.8071000000e-03 -8.6387000000e-03 -8.9370000000e-04  1.3654000000e-03  1.8414000000e-03  2.2671000000e-03 -6.2025000000e-03  6.5226000000e-03
+
+JOB 32
+COORDS  5.5958800000e-01  1.0640280000e+00  7.3030200000e-01  7.5075300000e-01  1.9252030000e+00  3.5873200000e-01  1.1932990000e+00  9.6305600000e-01  1.4405460000e+00 -6.4383100000e-01 -1.1356560000e+00 -7.0279600000e-01 -6.2499700000e-01 -1.2794610000e+00 -1.6489450000e+00  1.1949000000e-02 -4.5525200000e-01 -5.5036700000e-01
+ENERGY -1.526595379416e+02
+FORCES  1.7925000000e-03  2.7449000000e-03  3.2999000000e-03 -4.6550000000e-04 -4.6418000000e-03  1.3712000000e-03 -2.7975000000e-03  1.3173000000e-03 -3.6608000000e-03  4.0757000000e-03  6.1828000000e-03  1.9093000000e-03  5.3400000000e-04  1.7928000000e-03  3.3731000000e-03 -3.1392000000e-03 -7.3960000000e-03 -6.2928000000e-03
+
+JOB 33
+COORDS -1.0182300000e-01 -2.7661900000e-01 -1.4081230000e+00  6.7364000000e-01 -7.4604600000e-01 -1.1006700000e+00 -4.3120400000e-01 -8.0672200000e-01 -2.1338850000e+00  1.4077300000e-01  3.5654600000e-01  1.4236000000e+00 -3.8657300000e-01  3.6338400000e-01  2.2224060000e+00 -4.3772800000e-01 -1.4406000000e-02  7.5729500000e-01
+ENERGY -1.526594426489e+02
+FORCES  4.0168000000e-03 -2.7484000000e-03 -3.2501000000e-03 -5.9310000000e-03  1.3923000000e-03 -1.2346000000e-03  1.8312000000e-03  2.2010000000e-03  3.4179000000e-03 -4.9848000000e-03 -3.3290000000e-04 -3.3373000000e-03  1.1852000000e-03 -2.3100000000e-04 -3.6221000000e-03  3.8826000000e-03 -2.8110000000e-04  8.0262000000e-03
+
+JOB 34
+COORDS -1.0817300000e+00 -1.6036200000e-01 -1.0584210000e+00 -5.4384700000e-01 -8.7587000000e-02 -1.8468480000e+00 -4.5010400000e-01 -2.2989200000e-01 -3.4256800000e-01  9.7222800000e-01  2.0068700000e-01  1.0265160000e+00  6.9659700000e-01 -2.8184300000e-01  1.8058900000e+00  1.8880650000e+00 -4.8078000000e-02  9.0164800000e-01
+ENERGY -1.526603373593e+02
+FORCES  9.3300000000e-03  2.3146000000e-03  4.5091000000e-03 -1.5715000000e-03 -4.8370000000e-04  2.0625000000e-03 -7.8696000000e-03 -3.3188000000e-03 -5.2724000000e-03  3.7314000000e-03 -1.3295000000e-03  3.1921000000e-03  1.0520000000e-03  1.8066000000e-03 -5.2396000000e-03 -4.6724000000e-03  1.0109000000e-03  7.4830000000e-04
+
+JOB 35
+COORDS  1.2204930000e+00  3.6731000000e-02  7.3481600000e-01  7.8698000000e-01  2.4335000000e-02  1.5881300000e+00  2.1363920000e+00  2.3112200000e-01  9.3374500000e-01 -1.2607900000e+00  1.2737000000e-02 -8.1153400000e-01 -5.6713300000e-01 -3.0423600000e-01 -2.3308800000e-01 -1.7060710000e+00 -7.8051500000e-01 -1.1093710000e+00
+ENERGY -1.526581091780e+02
+FORCES  3.8152000000e-03  2.6010000000e-03  1.9811000000e-03  7.4480000000e-04 -1.2242000000e-03 -5.7064000000e-03 -4.0541000000e-03 -6.3930000000e-04  6.6590000000e-04  6.0775000000e-03 -2.8203000000e-03  1.4463000000e-03 -8.7809000000e-03 -5.2130000000e-04  9.2500000000e-05  2.1975000000e-03  2.6041000000e-03  1.5206000000e-03
+
+JOB 36
+COORDS  5.8112000000e-02 -5.5291600000e-01  1.3139870000e+00 -7.2825900000e-01 -9.2909100000e-01  1.7093900000e+00  7.8153900000e-01 -9.2208500000e-01  1.8205430000e+00 -2.0125000000e-02  6.3099300000e-01 -1.4122630000e+00  3.5030700000e-01  7.9176000000e-02 -7.2341600000e-01 -9.6704500000e-01  5.6682300000e-01 -1.2879330000e+00
+ENERGY -1.526590986169e+02
+FORCES -1.3083000000e-03 -2.0269000000e-03  3.7478000000e-03  3.7680000000e-03  1.7088000000e-03 -1.5677000000e-03 -3.5882000000e-03  1.5436000000e-03 -2.7256000000e-03 -2.5146000000e-03 -4.1023000000e-03  9.6337000000e-03  1.6828000000e-03  2.3109000000e-03 -7.4580000000e-03  1.9602000000e-03  5.6600000000e-04 -1.6303000000e-03
+
+JOB 37
+COORDS -3.7261900000e-01 -8.9804600000e-01 -1.1978760000e+00 -8.9741800000e-01 -1.8375700000e-01 -1.5592760000e+00  1.7508900000e-01 -4.8080200000e-01 -5.3292900000e-01  4.1150000000e-01  8.3729800000e-01  1.1329890000e+00  4.7370700000e-01  4.0580000000e-01  1.9851460000e+00 -4.1042700000e-01  1.3263970000e+00  1.1710800000e+00
+ENERGY -1.526599792697e+02
+FORCES  2.4498000000e-03  7.6354000000e-03  5.6230000000e-03  8.5400000000e-04 -2.2080000000e-03  1.2447000000e-03 -2.5509000000e-03 -5.6643000000e-03 -6.8352000000e-03 -4.0837000000e-03  4.1410000000e-04  4.8169000000e-03 -5.4340000000e-04  2.2396000000e-03 -4.1172000000e-03  3.8741000000e-03 -2.4167000000e-03 -7.3220000000e-04
+
+JOB 38
+COORDS  3.8903400000e-01  1.0920870000e+00  8.5291300000e-01  5.5609200000e-01  1.9100430000e+00  3.8464700000e-01  8.0375700000e-01  1.2153530000e+00  1.7067530000e+00 -3.9554500000e-01 -1.2060230000e+00 -8.9880500000e-01 -1.2636510000e+00 -8.4553600000e-01 -1.0795650000e+00  2.3340000000e-03 -5.8114700000e-01 -2.9262500000e-01
+ENERGY -1.526613955060e+02
+FORCES  2.4617000000e-03  3.6266000000e-03  1.8977000000e-03 -8.6390000000e-04 -3.6445000000e-03  2.8480000000e-03 -1.7489000000e-03  6.0490000000e-04 -4.1852000000e-03 -4.1150000000e-04  7.5753000000e-03  5.6663000000e-03  2.4787000000e-03 -1.2422000000e-03 -2.6520000000e-04 -1.9161000000e-03 -6.9200000000e-03 -5.9616000000e-03
+
+JOB 39
+COORDS -9.3279000000e-01 -6.5830500000e-01 -1.0492250000e+00 -1.5484960000e+00  4.5140000000e-02 -1.2549000000e+00 -1.6176400000e-01 -2.0883600000e-01 -7.0320600000e-01  9.2903500000e-01  5.3071800000e-01  1.0112330000e+00  1.3560500000e-01  8.9361800000e-01  1.4049400000e+00  1.5946890000e+00  1.2048640000e+00  1.1478490000e+00
+ENERGY -1.526595325882e+02
+FORCES  4.7817000000e-03  4.7401000000e-03  2.4574000000e-03  2.1569000000e-03 -2.0595000000e-03  1.7547000000e-03 -7.5449000000e-03 -2.5049000000e-03 -5.1214000000e-03  3.4030000000e-04  3.5413000000e-03  4.8556000000e-03  4.0200000000e-03 -8.4980000000e-04 -3.5829000000e-03 -3.7540000000e-03 -2.8672000000e-03 -3.6330000000e-04
+
+JOB 40
+COORDS  1.0882830000e+00 -1.0258550000e+00  2.4948000000e-02  1.1414040000e+00 -1.1463120000e+00 -9.2315500000e-01  7.2702000000e-01 -1.8498470000e+00  3.5168600000e-01 -1.1074930000e+00  1.0959180000e+00 -4.8275000000e-02 -1.3073530000e+00  1.3758080000e+00  8.4500500000e-01 -3.3748000000e-01  5.3463900000e-01  4.2709000000e-02
+ENERGY -1.526614762401e+02
+FORCES  6.9000000000e-05 -6.4267000000e-03 -2.7238000000e-03 -1.1167000000e-03  1.1242000000e-03  5.1909000000e-03  1.8667000000e-03  4.0034000000e-03 -1.7249000000e-03  6.2713000000e-03 -4.2311000000e-03  3.9761000000e-03  5.5530000000e-04 -1.3269000000e-03 -2.7147000000e-03 -7.6456000000e-03  6.8571000000e-03 -2.0036000000e-03
+
+JOB 41
+COORDS  2.8158000000e-01 -3.1704700000e-01 -1.4228750000e+00  1.0873230000e+00  1.0549300000e-01 -1.7203140000e+00  2.8491100000e-01 -1.1711860000e+00 -1.8549270000e+00 -2.8967500000e-01  3.7547000000e-01  1.5083700000e+00 -1.0848600000e+00 -1.3889200000e-01  1.6474590000e+00 -9.1701000000e-02  2.6455400000e-01  5.7845800000e-01
+ENERGY -1.526610380555e+02
+FORCES  3.2182000000e-03 -3.1391000000e-03 -3.7137000000e-03 -3.9098000000e-03 -2.3513000000e-03  1.7371000000e-03  4.1850000000e-04  4.1983000000e-03  1.0502000000e-03 -1.6504000000e-03 -3.7695000000e-03 -7.9830000000e-03  2.3862000000e-03  1.3894000000e-03  9.4400000000e-05 -4.6270000000e-04  3.6723000000e-03  8.8149000000e-03
+
+JOB 42
+COORDS -1.4074940000e+00 -5.8875900000e-01 -1.5102100000e-01 -1.1729490000e+00 -3.9892700000e-01 -1.0594170000e+00 -1.9810110000e+00  1.3366200000e-01  1.0474700000e-01  1.4811090000e+00  5.6583500000e-01  2.0627000000e-01  7.0993700000e-01  8.9747800000e-01 -2.5366400000e-01  1.3000490000e+00 -3.6476800000e-01  3.3828200000e-01
+ENERGY -1.526554563446e+02
+FORCES -3.4873000000e-03  2.8443000000e-03 -1.8277000000e-03  1.3261000000e-03  6.4960000000e-04  5.4497000000e-03  3.4876000000e-03 -2.8621000000e-03 -1.8600000000e-03 -8.1741000000e-03 -4.9885000000e-03  6.4830000000e-04  2.8510000000e-03  1.2089000000e-03 -1.2566000000e-03  3.9968000000e-03  3.1478000000e-03 -1.1537000000e-03
+
+JOB 43
+COORDS -1.2775400000e-01 -4.8197600000e-01 -1.5108440000e+00 -3.6053800000e-01  4.2671200000e-01 -1.3202420000e+00  6.7518600000e-01 -6.3364800000e-01 -1.0123310000e+00  7.5390000000e-02  4.8425900000e-01  1.5165860000e+00  9.6269000000e-01  2.0711500000e-01  1.2882860000e+00 -4.9399700000e-01 -7.1282000000e-02  9.8422900000e-01
+ENERGY -1.526548684778e+02
+FORCES  3.6561000000e-03  5.2324000000e-03  1.0105000000e-03  2.0400000000e-05 -5.6142000000e-03 -1.9960000000e-04 -3.9166000000e-03  2.4500000000e-05  6.1470000000e-04  3.7780000000e-04 -5.2693000000e-03 -2.5056000000e-03 -3.6175000000e-03  1.1802000000e-03 -1.2932000000e-03  3.4798000000e-03  4.4464000000e-03  2.3732000000e-03
+
+JOB 44
+COORDS -1.1044160000e+00  6.3150800000e-01 -9.4340300000e-01 -1.9248590000e+00  1.4363700000e-01 -8.7207900000e-01 -6.6305300000e-01  4.8237400000e-01 -1.0722800000e-01  1.0816190000e+00 -6.2782200000e-01  8.5281400000e-01  9.5769000000e-01 -3.5832200000e-01  1.7628930000e+00  1.9677520000e+00 -3.3846900000e-01  6.3538400000e-01
+ENERGY -1.526583022173e+02
+FORCES  2.6089000000e-03 -5.3427000000e-03  4.9191000000e-03  2.7540000000e-03  1.8096000000e-03  8.2400000000e-05 -6.6960000000e-03  4.8386000000e-03 -3.0208000000e-03  6.5446000000e-03  3.2150000000e-04  1.4159000000e-03 -1.2121000000e-03 -1.3480000000e-04 -5.4451000000e-03 -3.9995000000e-03 -1.4922000000e-03  2.0484000000e-03
+
+JOB 45
+COORDS -1.6497700000e-01 -1.2595160000e+00 -9.7773700000e-01 -2.7046600000e-01 -3.1668700000e-01 -8.5054700000e-01 -1.0475100000e+00 -1.5758490000e+00 -1.1708730000e+00  1.7400000000e-01  1.2358800000e+00  9.4783200000e-01  2.3041300000e-01  9.0669800000e-01  1.8448770000e+00  1.0840850000e+00  1.3013340000e+00  6.5853800000e-01
+ENERGY -1.526586282726e+02
+FORCES -4.1033000000e-03  5.0243000000e-03  2.3155000000e-03  1.3417000000e-03 -5.7982000000e-03 -5.2196000000e-03  3.0796000000e-03  1.1099000000e-03  9.2730000000e-04  4.4207000000e-03 -2.3196000000e-03  5.0916000000e-03  7.4900000000e-05  2.5374000000e-03 -3.3459000000e-03 -4.8137000000e-03 -5.5380000000e-04  2.3120000000e-04
+
+JOB 46
+COORDS  4.4034900000e-01  1.3787960000e+00  5.1677700000e-01 -3.9296600000e-01  1.8475140000e+00  5.6283500000e-01  1.0846070000e+00  2.0009040000e+00  8.5463200000e-01 -4.3801100000e-01 -1.4760590000e+00 -5.8872600000e-01  2.2923400000e-01 -8.1118300000e-01 -4.1856200000e-01 -9.9763500000e-01 -1.4586420000e+00  1.8764400000e-01
+ENERGY -1.526594643542e+02
+FORCES -8.8600000000e-04  5.7891000000e-03  1.3819000000e-03  3.9518000000e-03 -1.9268000000e-03  6.0870000000e-04 -3.3127000000e-03 -2.3307000000e-03 -1.4171000000e-03  2.1165000000e-03  5.7967000000e-03  5.1227000000e-03 -2.5697000000e-03 -6.6516000000e-03 -2.7509000000e-03  7.0000000000e-04 -6.7680000000e-04 -2.9454000000e-03
+
+JOB 47
+COORDS  2.8837700000e-01  8.5509200000e-01 -1.3125020000e+00 -2.4629500000e-01  9.1579000000e-02 -1.0947750000e+00  5.3221100000e-01  7.2391700000e-01 -2.2287820000e+00 -3.2611300000e-01 -7.7051300000e-01  1.3771290000e+00 -1.8330900000e-01 -1.7060300000e+00  1.2334390000e+00  5.1015200000e-01 -3.6275300000e-01  1.1521290000e+00
+ENERGY -1.526580149385e+02
+FORCES -3.3784000000e-03 -2.8575000000e-03 -2.5021000000e-03  5.0183000000e-03  3.2665000000e-03 -3.2502000000e-03 -1.2323000000e-03 -1.3350000000e-04  4.0018000000e-03  5.5371000000e-03 -8.8230000000e-04  1.5484000000e-03 -9.7510000000e-04  4.3536000000e-03 -8.3110000000e-04 -4.9697000000e-03 -3.7468000000e-03  1.0332000000e-03
+
+JOB 48
+COORDS  4.9896800000e-01  1.5033400000e+00  1.5744000000e-01  1.2666470000e+00  1.9323690000e+00  5.3537500000e-01  7.8229500000e-01  1.2293450000e+00 -7.1484800000e-01 -5.7929800000e-01 -1.5774340000e+00 -1.2418700000e-01  1.6961200000e-01 -1.2088370000e+00  3.4432400000e-01 -8.4068500000e-01 -8.9034900000e-01 -7.3723100000e-01
+ENERGY -1.526558371692e+02
+FORCES  4.5411000000e-03  3.4923000000e-03 -1.8178000000e-03 -3.3876000000e-03 -2.4580000000e-03 -1.7381000000e-03 -2.4539000000e-03 -7.7340000000e-04  4.4553000000e-03  1.2388000000e-03  7.4951000000e-03  1.8627000000e-03 -1.5465000000e-03 -4.4119000000e-03 -2.8070000000e-03  1.6081000000e-03 -3.3441000000e-03  4.4900000000e-05
+
+JOB 49
+COORDS  3.2931000000e-02 -1.4668230000e+00  7.3351900000e-01  6.3798300000e-01 -7.6091200000e-01  9.6119100000e-01  4.6521700000e-01 -1.9317030000e+00  1.7106000000e-02 -4.0760000000e-02  1.4729730000e+00 -6.9308800000e-01 -3.2955700000e-01  6.6360700000e-01 -1.1146980000e+00 -8.5178900000e-01  1.9218270000e+00 -4.5435600000e-01
+ENERGY -1.526573229836e+02
+FORCES  5.3877000000e-03  2.3603000000e-03 -2.4900000000e-04 -2.4149000000e-03 -5.2488000000e-03 -4.4970000000e-04 -2.6229000000e-03  2.7109000000e-03  1.9183000000e-03 -6.3583000000e-03 -2.5930000000e-03 -2.3240000000e-04  2.6106000000e-03  4.1382000000e-03  1.7570000000e-04  3.3979000000e-03 -1.3676000000e-03 -1.1630000000e-03
+
+JOB 50
+COORDS  4.1352300000e-01  8.8195100000e-01  1.2964740000e+00  3.3455500000e-01  1.2083500000e+00  4.0011500000e-01  1.0558160000e+00  1.4608950000e+00  1.7069800000e+00 -4.2308700000e-01 -9.9275300000e-01 -1.2473580000e+00 -1.3379620000e+00 -7.1156900000e-01 -1.2342870000e+00  5.0620000000e-02 -2.5094500000e-01 -1.6235960000e+00
+ENERGY -1.526515184660e+02
+FORCES  2.1380000000e-03  2.3223000000e-03 -2.4336000000e-03  2.1690000000e-04  1.7300000000e-05  2.4937000000e-03 -2.7060000000e-03 -2.9040000000e-03 -2.0587000000e-03 -1.9564000000e-03  2.7312000000e-03 -4.5850000000e-04  4.2991000000e-03 -6.7960000000e-04 -4.5750000000e-04 -1.9916000000e-03 -1.4872000000e-03  2.9146000000e-03
+
+JOB 51
+COORDS -1.3955500000e+00  7.2978900000e-01 -3.4143100000e-01 -2.2508750000e+00  3.0801200000e-01 -4.2361900000e-01 -1.3360210000e+00  1.3026800000e+00 -1.1059460000e+00  1.4714960000e+00 -7.8900800000e-01  4.3125900000e-01  1.9068100000e+00 -2.3082100000e-01 -2.1307100000e-01  5.5295700000e-01 -5.2168200000e-01  3.9879200000e-01
+ENERGY -1.526594866794e+02
+FORCES -5.0498000000e-03  1.7955000000e-03 -4.1022000000e-03  3.8881000000e-03  2.1266000000e-03  1.0830000000e-04 -3.2730000000e-04 -2.6904000000e-03  3.2988000000e-03 -4.8509000000e-03  4.9389000000e-03 -3.0878000000e-03 -6.4740000000e-04 -2.0239000000e-03  1.9572000000e-03  6.9873000000e-03 -4.1468000000e-03  1.8257000000e-03
+
+JOB 52
+COORDS -1.0631100000e+00 -3.4360800000e-01 -1.2410270000e+00 -1.5408190000e+00  2.5974600000e-01 -1.8102290000e+00 -1.6383700000e-01 -1.5695000000e-02 -1.2445880000e+00  1.0008210000e+00  2.4533100000e-01  1.2317010000e+00  6.9433800000e-01  7.2632700000e-01  2.0004290000e+00  1.9197830000e+00  4.9751700000e-01  1.1414600000e+00
+ENERGY -1.526551870270e+02
+FORCES  3.6657000000e-03  3.8077000000e-03  2.3100000000e-04  1.8290000000e-03 -2.1193000000e-03  2.5501000000e-03 -4.2060000000e-03 -1.4505000000e-03 -4.0542000000e-03  1.0231000000e-03  2.6263000000e-03  5.2094000000e-03  2.1532000000e-03 -1.8682000000e-03 -3.0178000000e-03 -4.4650000000e-03 -9.9600000000e-04 -9.1860000000e-04
+
+JOB 53
+COORDS  1.0956110000e+00  9.3102000000e-02 -1.2012770000e+00  4.5278100000e-01 -2.5531600000e-01 -1.8190200000e+00  1.6348460000e+00  6.8582800000e-01 -1.7248540000e+00 -1.1425110000e+00 -1.0725600000e-01  1.2408830000e+00 -9.4173400000e-01 -2.7319700000e-01  2.1619610000e+00 -2.9116300000e-01  5.7668000000e-02  8.3562000000e-01
+ENERGY -1.526598449442e+02
+FORCES  3.4600000000e-04  1.1968000000e-03 -6.5913000000e-03  3.4353000000e-03  1.9418000000e-03  2.6705000000e-03 -2.3268000000e-03 -2.9008000000e-03  1.6214000000e-03  5.7674000000e-03  3.9400000000e-04  4.2630000000e-04 -5.4370000000e-04  7.3480000000e-04 -3.2946000000e-03 -6.6782000000e-03 -1.3666000000e-03  5.1678000000e-03
+
+JOB 54
+COORDS  1.1573900000e+00  7.0981000000e-02 -1.2269350000e+00  6.1977200000e-01 -6.6407200000e-01 -9.3215100000e-01  1.5665070000e+00 -2.3964600000e-01 -2.0346260000e+00 -1.1054230000e+00 -5.4082000000e-02  1.2301020000e+00 -1.9523950000e+00  1.1398100000e-01  8.1703500000e-01 -1.1359580000e+00  4.3950500000e-01  2.0496580000e+00
+ENERGY -1.526558547991e+02
+FORCES -1.4682000000e-03 -4.4629000000e-03  1.9280000000e-04  3.4579000000e-03  2.1071000000e-03 -4.4645000000e-03 -1.9238000000e-03  1.3251000000e-03  3.3373000000e-03 -2.8883000000e-03  4.6106000000e-03  2.4633000000e-03  3.4950000000e-03 -1.3892000000e-03  1.5692000000e-03 -6.7250000000e-04 -2.1907000000e-03 -3.0980000000e-03
+
+JOB 55
+COORDS -1.2548890000e+00 -9.2789600000e-01  8.2471400000e-01 -1.0180900000e+00 -5.5010200000e-01  1.6717260000e+00 -6.2910900000e-01 -5.4697500000e-01  2.0865500000e-01  1.1568360000e+00  8.4830100000e-01 -8.3425200000e-01  1.4460190000e+00  1.3997600000e+00 -1.5612310000e+00  1.7987030000e+00  1.0074440000e+00 -1.4221800000e-01
+ENERGY -1.526587642714e+02
+FORCES  4.4559000000e-03  4.3905000000e-03 -1.1720000000e-03 -6.7570000000e-04 -1.5406000000e-03 -2.5871000000e-03 -4.8345000000e-03 -4.1455000000e-03  5.1597000000e-03  4.7974000000e-03  4.1807000000e-03 -2.2995000000e-03 -3.4380000000e-04 -2.0732000000e-03  3.5738000000e-03 -3.3993000000e-03 -8.1200000000e-04 -2.6749000000e-03
+
+JOB 56
+COORDS  1.0907140000e+00  5.2922000000e-02 -1.3726190000e+00  5.5694200000e-01  7.6392100000e-01 -1.0179370000e+00  5.5845700000e-01 -3.1888700000e-01 -2.0759640000e+00 -1.0110220000e+00 -1.0075700000e-01  1.4527080000e+00 -1.8063180000e+00 -2.4868300000e-01  9.4099200000e-01 -4.9742900000e-01  5.1190200000e-01  9.2630200000e-01
+ENERGY -1.526510865383e+02
+FORCES -4.0904000000e-03  3.3320000000e-04 -2.5264000000e-03  8.3250000000e-04 -3.3357000000e-03  1.6334000000e-03  2.3483000000e-03  1.9003000000e-03  3.1134000000e-03  2.8400000000e-05  4.3150000000e-04 -4.4194000000e-03  3.4240000000e-03  9.7850000000e-04  1.8858000000e-03 -2.5428000000e-03 -3.0780000000e-04  3.1330000000e-04
+
+JOB 57
+COORDS -1.2961090000e+00 -1.1847240000e+00  1.2247200000e-01 -1.0491430000e+00 -1.3130150000e+00 -7.9337700000e-01 -8.6407000000e-01 -1.8996020000e+00  5.8993700000e-01  1.2358010000e+00  1.2143630000e+00 -4.5063000000e-02  1.0378480000e+00  8.6252600000e-01 -9.1296600000e-01  1.8583110000e+00  1.9226530000e+00 -2.0949900000e-01
+ENERGY -1.526524713094e+02
+FORCES  3.3873000000e-03 -3.1385000000e-03 -4.2310000000e-04 -4.2730000000e-04  1.3466000000e-03  3.1929000000e-03 -2.3064000000e-03  2.4368000000e-03 -2.2504000000e-03  6.1390000000e-04  1.4809000000e-03 -4.2518000000e-03  1.5349000000e-03  9.9920000000e-04  2.7697000000e-03 -2.8024000000e-03 -3.1250000000e-03  9.6270000000e-04
+
+JOB 58
+COORDS -7.4602600000e-01 -1.5299420000e+00  3.4752300000e-01 -8.6998800000e-01 -2.0498000000e+00  1.1416350000e+00 -1.5113850000e+00 -9.5603800000e-01  3.1447700000e-01  8.1330500000e-01  1.5603310000e+00 -3.3289900000e-01  1.3937250000e+00  1.2766380000e+00 -1.0392020000e+00 -6.0191000000e-02  1.2915960000e+00 -6.1753600000e-01
+ENERGY -1.526535478604e+02
+FORCES -2.9008000000e-03  3.7200000000e-05  4.7939000000e-03  2.8230000000e-04  1.8609000000e-03 -3.5035000000e-03  3.5364000000e-03 -1.3663000000e-03 -1.1273000000e-03 -8.9030000000e-04 -5.1105000000e-03 -3.6907000000e-03 -1.9702000000e-03  2.1301000000e-03  2.4827000000e-03  1.9427000000e-03  2.4487000000e-03  1.0450000000e-03
+
+JOB 59
+COORDS -3.2895200000e-01  1.7109390000e+00  4.2719700000e-01 -6.6808000000e-02  2.0877910000e+00  1.2671350000e+00  4.9646000000e-01  1.5226840000e+00 -1.9442000000e-02  2.1204700000e-01 -1.7544540000e+00 -4.7018200000e-01  6.3084700000e-01 -1.7477850000e+00  3.9051100000e-01  7.3899100000e-01 -1.1545940000e+00 -9.9813000000e-01
+ENERGY -1.526520181334e+02
+FORCES  3.7588000000e-03  8.9900000000e-04  1.5001000000e-03 -1.0654000000e-03 -2.0195000000e-03 -3.5417000000e-03 -2.7868000000e-03 -3.3000000000e-05  1.5305000000e-03  2.3866000000e-03  3.3260000000e-03  2.0354000000e-03 -9.0840000000e-04 -3.6730000000e-04 -3.7589000000e-03 -1.3847000000e-03 -1.8052000000e-03  2.2347000000e-03
+
+JOB 60
+COORDS -1.2726610000e+00 -8.6621300000e-01 -1.0490230000e+00 -1.2653910000e+00 -1.3298300000e-01 -4.3375700000e-01 -3.8339700000e-01 -1.2185540000e+00 -1.0129950000e+00  1.2000750000e+00  8.8089400000e-01  9.6542200000e-01  1.1967730000e+00  1.1573860000e+00  1.8818130000e+00  1.6352380000e+00  2.8369000000e-02  9.7353700000e-01
+ENERGY -1.526563971746e+02
+FORCES  4.7234000000e-03  3.5465000000e-03  3.1786000000e-03 -2.3606000000e-03 -4.1586000000e-03 -3.0690000000e-03 -3.0437000000e-03 -6.9100000000e-05 -2.3410000000e-04  3.6539000000e-03 -1.1989000000e-03  5.0817000000e-03 -6.3500000000e-05 -1.3292000000e-03 -4.1244000000e-03 -2.9095000000e-03  3.2094000000e-03 -8.3270000000e-04
+
+JOB 61
+COORDS -1.7474740000e+00 -4.2926500000e-01 -1.0840300000e-01 -1.0095000000e+00 -9.0880300000e-01 -4.8479300000e-01 -2.5223470000e+00 -8.8869300000e-01 -4.3202200000e-01  1.7956320000e+00  4.3897900000e-01  1.6172200000e-01  1.0356690000e+00  6.6734500000e-01  6.9701300000e-01  1.6920370000e+00  9.5793300000e-01 -6.3589100000e-01
+ENERGY -1.526573297215e+02
+FORCES -8.6300000000e-04 -4.7680000000e-03 -2.8442000000e-03 -4.1896000000e-03  2.8080000000e-03  1.5916000000e-03  3.3484000000e-03  1.6988000000e-03  1.0498000000e-03 -3.3012000000e-03  4.7645000000e-03  7.2800000000e-05  4.4329000000e-03 -1.6948000000e-03 -2.7487000000e-03  5.7250000000e-04 -2.8086000000e-03  2.8786000000e-03
+
+JOB 62
+COORDS -2.6614700000e-01  1.7215160000e+00  5.6717600000e-01 -2.6418000000e-01  1.7589890000e+00  1.5236400000e+00 -1.1808550000e+00  1.8632300000e+00  3.2333300000e-01  3.2712400000e-01 -1.6657780000e+00 -6.1021200000e-01  8.8980000000e-02 -2.1097660000e+00  2.0366400000e-01  2.7500800000e-01 -2.3478260000e+00 -1.2797840000e+00
+ENERGY -1.526522580755e+02
+FORCES -3.7051000000e-03 -4.9000000000e-05  2.0097000000e-03  6.3400000000e-05 -4.3940000000e-04 -3.7725000000e-03  3.6081000000e-03 -1.2350000000e-04  1.2612000000e-03 -9.4380000000e-04 -4.1500000000e-03  1.1287000000e-03  8.7390000000e-04  1.5371000000e-03 -3.3008000000e-03  1.0340000000e-04  3.2248000000e-03  2.6736000000e-03
+
+JOB 63
+COORDS -6.9156300000e-01  1.4222620000e+00 -1.0354960000e+00 -1.5611630000e+00  1.7370230000e+00 -1.2823840000e+00 -8.2311700000e-01  9.9148300000e-01 -1.9089200000e-01  7.2072900000e-01 -1.4374240000e+00  1.0668600000e+00  1.2800220000e+00 -7.0220000000e-01  8.1612800000e-01  5.1164100000e-01 -1.8726660000e+00  2.4037400000e-01
+ENERGY -1.526567694114e+02
+FORCES -4.8924000000e-03 -1.1800000000e-05  2.7119000000e-03  3.4675000000e-03 -1.3673000000e-03  1.0107000000e-03  1.2225000000e-03  2.5489000000e-03 -4.6412000000e-03  3.3244000000e-03 -1.8610000000e-04 -4.8444000000e-03 -3.5006000000e-03 -2.8091000000e-03  1.7465000000e-03  3.7850000000e-04  1.8254000000e-03  4.0166000000e-03
+
+JOB 64
+COORDS  1.8222390000e+00 -8.2265000000e-02  3.5428100000e-01  1.6847710000e+00  8.2409400000e-01  7.8877000000e-02  2.5496380000e+00 -3.6836000000e-02  9.7481200000e-01 -1.8030320000e+00 -5.1210000000e-03 -3.6681200000e-01 -2.6869850000e+00 -3.0673500000e-01 -1.5731600000e-01 -1.9279810000e+00  8.7340300000e-01 -7.2571900000e-01
+ENERGY -1.526523329052e+02
+FORCES  1.2050000000e-03  4.0500000000e-03  1.3144000000e-03  1.2741000000e-03 -3.2087000000e-03  9.1360000000e-04 -3.0971000000e-03 -4.2240000000e-04 -2.5037000000e-03 -4.2673000000e-03  1.6898000000e-03 -4.1700000000e-04  3.7200000000e-03  1.2556000000e-03 -8.8950000000e-04  1.1654000000e-03 -3.3643000000e-03  1.5822000000e-03
+
+JOB 65
+COORDS  1.8286310000e+00 -1.9613400000e-01 -7.7908200000e-01  1.4768330000e+00  6.8760000000e-01 -6.7192300000e-01  1.0696290000e+00 -7.2964700000e-01 -1.0146940000e+00 -1.7174380000e+00  2.1325400000e-01  7.5197900000e-01 -1.6874600000e+00 -6.2241800000e-01  1.2177970000e+00 -2.6195880000e+00  5.1502100000e-01  8.5825800000e-01
+ENERGY -1.526564233287e+02
+FORCES -6.0975000000e-03  2.2133000000e-03  1.1500000000e-05  2.9343000000e-03 -3.1557000000e-03 -1.0533000000e-03  3.9634000000e-03  8.8220000000e-04  5.3680000000e-04 -4.2987000000e-03 -1.9684000000e-03  3.3707000000e-03 -3.1320000000e-04  3.3964000000e-03 -2.5128000000e-03  3.8117000000e-03 -1.3678000000e-03 -3.5290000000e-04
+
+JOB 66
+COORDS -3.9622400000e-01  3.4285300000e-01  1.9090800000e+00 -5.1635800000e-01 -4.6816700000e-01  1.4150700000e+00  1.3553300000e-01  8.8041000000e-02  2.6630940000e+00  3.7675500000e-01 -2.9817200000e-01 -1.8578530000e+00 -3.5757800000e-01  9.6974000000e-02 -2.3277950000e+00  1.0539090000e+00 -4.1384600000e-01 -2.5244220000e+00
+ENERGY -1.526550428309e+02
+FORCES  2.4533000000e-03 -4.5977000000e-03 -5.7210000000e-04 -6.0820000000e-04  3.0907000000e-03  3.7879000000e-03 -2.0992000000e-03  1.0589000000e-03 -2.7312000000e-03  9.1600000000e-05  2.1762000000e-03 -4.8932000000e-03  2.9895000000e-03 -2.1290000000e-03  1.7453000000e-03 -2.8271000000e-03  4.0080000000e-04  2.6634000000e-03
+
+JOB 67
+COORDS  1.3899410000e+00 -3.8250400000e-01  1.3559090000e+00  1.3915240000e+00 -4.8800700000e-01  4.0454200000e-01  1.7717080000e+00 -1.1949880000e+00  1.6881050000e+00 -1.4029570000e+00  4.8727600000e-01 -1.2791200000e+00 -1.3282010000e+00 -4.4843900000e-01 -1.0918210000e+00 -1.6478650000e+00  5.2816600000e-01 -2.2035550000e+00
+ENERGY -1.526539548201e+02
+FORCES  1.9202000000e-03 -2.5718000000e-03 -2.7210000000e-03  7.7400000000e-05 -1.0122000000e-03  4.3350000000e-03 -1.8870000000e-03  3.2819000000e-03 -1.5188000000e-03 -2.1103000000e-03 -3.3342000000e-03 -2.6726000000e-03  7.7780000000e-04  3.8620000000e-03 -1.4232000000e-03  1.2219000000e-03 -2.2570000000e-04  4.0005000000e-03
+
+JOB 68
+COORDS  6.1892800000e-01  7.1772700000e-01  1.7637730000e+00  1.2191390000e+00  1.2192450000e+00  1.2119940000e+00  1.0751570000e+00 -1.0799400000e-01  1.9258580000e+00 -6.9530400000e-01 -7.6480500000e-01 -1.7414850000e+00 -1.0222560000e+00 -1.0823500000e-01 -1.1264640000e+00 -1.3634200000e-01 -2.7288900000e-01 -2.3429930000e+00
+ENERGY -1.526555378957e+02
+FORCES  5.1143000000e-03 -2.1566000000e-03 -7.1620000000e-04 -2.9985000000e-03 -1.8637000000e-03  1.7480000000e-03 -1.7164000000e-03  3.9106000000e-03 -3.1260000000e-04  2.7940000000e-04  4.8987000000e-03  9.4480000000e-04  1.1777000000e-03 -2.8462000000e-03 -4.1721000000e-03 -1.8564000000e-03 -1.9428000000e-03  2.5081000000e-03
+
+JOB 69
+COORDS  9.8484900000e-01 -2.1369200000e-01  1.7627210000e+00  6.1029100000e-01 -1.0265240000e+00  2.1021960000e+00  1.7341420000e+00 -4.9552000000e-01  1.2379690000e+00 -9.8991200000e-01  2.1591700000e-01 -1.7595260000e+00 -1.2257500000e+00  8.6941900000e-01 -2.4179690000e+00 -1.0637500000e+00  6.7869800000e-01 -9.2489300000e-01
+ENERGY -1.526561164023e+02
+FORCES  2.1708000000e-03 -5.1875000000e-03 -9.0670000000e-04  1.4808000000e-03  3.5038000000e-03 -1.1896000000e-03 -2.8873000000e-03  1.2847000000e-03  2.7178000000e-03 -1.0328000000e-03  4.6737000000e-03  1.6220000000e-03  9.8960000000e-04 -2.5759000000e-03  2.5807000000e-03 -7.2100000000e-04 -1.6988000000e-03 -4.8242000000e-03
+
+JOB 70
+COORDS  7.5220300000e-01 -1.1143340000e+00  1.6307310000e+00  1.2650560000e+00 -1.3494570000e+00  8.5747200000e-01  7.7658600000e-01 -1.5770600000e-01  1.6530980000e+00 -7.9845900000e-01  1.0289650000e+00 -1.5416570000e+00 -5.3758000000e-02  1.6292240000e+00 -1.5050300000e+00 -1.2258110000e+00  1.2273000000e+00 -2.3748830000e+00
+ENERGY -1.526539932056e+02
+FORCES  7.9600000000e-04  3.2121000000e-03 -4.2729000000e-03 -1.1834000000e-03  7.2910000000e-04  3.6233000000e-03  8.3400000000e-04 -3.6307000000e-03  5.6540000000e-04  2.7450000000e-04  3.4114000000e-03 -3.9432000000e-03 -2.6567000000e-03 -2.9436000000e-03  5.2980000000e-04  1.9356000000e-03 -7.7840000000e-04  3.4975000000e-03
+
+JOB 71
+COORDS  2.8813000000e-01  1.9035830000e+00  1.2687870000e+00  3.8013000000e-02  9.8889300000e-01  1.3992270000e+00  8.5292000000e-02  2.0791580000e+00  3.4995000000e-01 -2.4027400000e-01 -1.9135860000e+00 -1.1796840000e+00  3.0127400000e-01 -1.2966970000e+00 -1.6720300000e+00 -1.1389610000e+00 -1.6909080000e+00 -1.4226000000e+00
+ENERGY -1.526546010080e+02
+FORCES -1.8048000000e-03 -3.5727000000e-03 -2.7922000000e-03  9.2330000000e-04  4.6335000000e-03 -4.6680000000e-04  8.5180000000e-04 -6.6720000000e-04  3.3496000000e-03 -1.3060000000e-03  2.0830000000e-03 -4.1540000000e-03 -2.6388000000e-03 -2.0562000000e-03  2.6143000000e-03  3.9745000000e-03 -4.2040000000e-04  1.4491000000e-03
+
+JOB 72
+COORDS -3.1984300000e-01 -2.1767060000e+00  5.4636200000e-01 -1.2307660000e+00 -2.0486460000e+00  8.1103600000e-01 -3.4232900000e-01 -2.9413750000e+00 -2.8969000000e-02  3.4681000000e-01  2.1852940000e+00 -5.8989000000e-01  1.2297360000e+00  2.0209990000e+00 -2.5870900000e-01 -3.4008000000e-02  2.8004010000e+00  3.6889000000e-02
+ENERGY -1.526539841705e+02
+FORCES -4.1103000000e-03 -1.9837000000e-03 -1.8836000000e-03  3.6713000000e-03 -8.8130000000e-04 -6.9210000000e-04  1.7850000000e-04  2.9353000000e-03  2.4718000000e-03  2.3421000000e-03  8.7590000000e-04  4.2039000000e-03 -3.4184000000e-03  1.4277000000e-03 -1.5253000000e-03  1.3368000000e-03 -2.3739000000e-03 -2.5746000000e-03
+
+JOB 73
+COORDS  9.3037500000e-01 -1.8676720000e+00  1.0110930000e+00  1.7433340000e+00 -1.6652530000e+00  1.4740800000e+00  4.0687600000e-01 -2.3550350000e+00  1.6472200000e+00 -9.0576800000e-01  1.8285510000e+00 -1.0752020000e+00 -1.2183550000e+00  2.3472010000e+00 -3.3390400000e-01 -1.2870990000e+00  2.2537170000e+00 -1.8433510000e+00
+ENERGY -1.526529845491e+02
+FORCES  1.0989000000e-03 -7.8460000000e-04  4.1763000000e-03 -3.3038000000e-03 -9.4160000000e-04 -1.7855000000e-03  2.1240000000e-03  1.9641000000e-03 -2.5561000000e-03 -2.7650000000e-03  3.4615000000e-03  8.7900000000e-05  1.2437000000e-03 -1.9270000000e-03 -3.0531000000e-03  1.6023000000e-03 -1.7723000000e-03  3.1305000000e-03
+
+JOB 74
+COORDS  7.2866900000e-01  1.8781920000e+00 -1.1921940000e+00 -1.3216000000e-02  2.4503820000e+00 -9.9613900000e-01  1.4875440000e+00  2.3373510000e+00 -8.3231200000e-01 -7.0176400000e-01 -1.9277570000e+00  1.2232680000e+00 -6.9035800000e-01 -2.7628460000e+00  7.5558400000e-01 -1.1767570000e+00 -1.3337060000e+00  6.4213400000e-01
+ENERGY -1.526545253062e+02
+FORCES  7.7690000000e-04  4.3668000000e-03  2.5872000000e-03  2.7492000000e-03 -2.6667000000e-03 -8.3580000000e-04 -3.1898000000e-03 -1.6260000000e-03 -1.7203000000e-03 -1.2693000000e-03 -4.6190000000e-04 -4.9634000000e-03 -1.7670000000e-04  3.1434000000e-03  2.0547000000e-03  1.1098000000e-03 -2.7555000000e-03  2.8775000000e-03
+
+JOB 75
+COORDS -5.0413500000e-01 -2.0195050000e+00  1.2762450000e+00 -5.5366600000e-01 -1.1165860000e+00  9.6237500000e-01  3.9639500000e-01 -2.1169360000e+00  1.5857360000e+00  4.3488900000e-01  2.0066950000e+00 -1.2184860000e+00  6.2805000000e-02  1.2472800000e+00 -1.6668980000e+00  1.1520040000e+00  2.2921140000e+00 -1.7846250000e+00
+ENERGY -1.526549380766e+02
+FORCES  3.5648000000e-03  3.7842000000e-03  6.1130000000e-04 -7.4800000000e-05 -4.3508000000e-03  6.6150000000e-04 -3.6372000000e-03  9.3800000000e-05 -1.3523000000e-03  1.5465000000e-03 -1.0927000000e-03 -5.0115000000e-03  1.6026000000e-03  2.8102000000e-03  2.7208000000e-03 -3.0018000000e-03 -1.2447000000e-03  2.3702000000e-03
+
+JOB 76
+COORDS -5.1205300000e-01 -1.9595570000e+00  1.4906740000e+00 -1.5517100000e-01 -1.2429870000e+00  9.6589400000e-01 -6.6232600000e-01 -2.6656300000e+00  8.6209500000e-01  4.9738600000e-01  1.9977270000e+00 -1.3729080000e+00 -2.3043300000e-01  1.5178970000e+00 -1.7682250000e+00  1.2555350000e+00  1.7697500000e+00 -1.9109290000e+00
+ENERGY -1.526543739979e+02
+FORCES  1.0989000000e-03  4.8340000000e-04 -4.3367000000e-03 -1.8053000000e-03 -3.7541000000e-03  1.9167000000e-03  5.7050000000e-04  2.9393000000e-03  2.3731000000e-03  1.6790000000e-04 -1.6452000000e-03 -4.5299000000e-03  3.2784000000e-03  1.3650000000e-03  2.1266000000e-03 -3.3104000000e-03  6.1160000000e-04  2.4502000000e-03
+
+JOB 77
+COORDS  1.0720720000e+00 -1.4189280000e+00 -1.8290360000e+00  9.0610800000e-01 -1.9022710000e+00 -2.6383980000e+00  1.5119290000e+00 -2.0495050000e+00 -1.2588330000e+00 -1.0373160000e+00  1.4853530000e+00  1.7952890000e+00 -1.8967870000e+00  1.9055810000e+00  1.8260870000e+00 -1.0095800000e+00  9.3792200000e-01  2.5800070000e+00
+ENERGY -1.526531955470e+02
+FORCES  1.0476000000e-03 -4.2937000000e-03 -6.7320000000e-04  6.3930000000e-04  2.0033000000e-03  3.2761000000e-03 -1.7452000000e-03  2.4139000000e-03 -2.3989000000e-03 -3.3913000000e-03 -7.2150000000e-04  2.8954000000e-03  3.5013000000e-03 -1.6385000000e-03 -2.2800000000e-05 -5.1700000000e-05  2.2364000000e-03 -3.0767000000e-03
+
+JOB 78
+COORDS -9.7916500000e-01  1.7959800000e-01 -2.3765440000e+00 -1.4572170000e+00  9.0924500000e-01 -1.9824470000e+00 -5.0185000000e-01  5.7226800000e-01 -3.1074430000e+00  9.4873000000e-01 -2.6655900000e-01  2.3458700000e+00  8.9669200000e-01  6.1008200000e-01  2.7266890000e+00  1.5398230000e+00 -7.4576700000e-01  2.9265590000e+00
+ENERGY -1.526533528358e+02
+FORCES  2.7200000000e-04  4.4707000000e-03 -7.5620000000e-04  1.7617000000e-03 -2.7934000000e-03 -1.8901000000e-03 -1.9864000000e-03 -1.5984000000e-03  2.8554000000e-03  2.2467000000e-03  1.3829000000e-03  3.7410000000e-03  1.2100000000e-04 -3.4735000000e-03 -1.6139000000e-03 -2.4150000000e-03  2.0117000000e-03 -2.3362000000e-03
+
+JOB 79
+COORDS -7.6795900000e-01 -1.0782550000e+00 -3.0190270000e+00 -3.4735000000e-02 -1.3203950000e+00 -2.4533570000e+00 -1.4811230000e+00 -8.7509900000e-01 -2.4137520000e+00  7.6875000000e-01  1.1534980000e+00  2.9655650000e+00  1.2677350000e+00  4.8660900000e-01  3.4372690000e+00  2.2560600000e-01  6.5800600000e-01  2.3526100000e+00
+ENERGY -1.526536298943e+02
+FORCES  8.5200000000e-05 -7.1100000000e-05  4.4915000000e-03 -3.1064000000e-03  9.7290000000e-04 -2.0986000000e-03  3.0344000000e-03 -8.9180000000e-04 -2.2803000000e-03 -1.0720000000e-04 -4.6139000000e-03 -2.8380000000e-04 -2.1035000000e-03  2.7058000000e-03 -2.0726000000e-03  2.1976000000e-03  1.8981000000e-03  2.2437000000e-03
+
+JOB 80
+COORDS  9.7654900000e-01  1.1783130000e+00 -2.9396540000e+00  8.3544800000e-01  1.9018570000e+00 -2.3290750000e+00  7.7040100000e-01  1.5458800000e+00 -3.7990900000e+00 -9.3287800000e-01 -1.2108780000e+00  2.9041710000e+00 -1.6834160000e+00 -1.8048090000e+00  2.9172970000e+00 -6.2771100000e-01 -1.1896940000e+00  3.8111740000e+00
+ENERGY -1.526539264751e+02
+FORCES -1.5191000000e-03  4.3678000000e-03 -6.4950000000e-04  6.6190000000e-04 -2.7920000000e-03 -2.7400000000e-03  8.4960000000e-04 -1.5194000000e-03  3.4364000000e-03 -1.7494000000e-03 -2.5167000000e-03  3.5962000000e-03  3.0183000000e-03  2.4745000000e-03  3.9500000000e-05 -1.2612000000e-03 -1.4100000000e-05 -3.6827000000e-03
+
+JOB 81
+COORDS -4.6631900000e-01  3.1853380000e+00  8.7433600000e-01 -1.0874480000e+00  3.7059640000e+00  1.3836280000e+00 -7.4680200000e-01  3.2979390000e+00 -3.3894000000e-02  4.6452200000e-01 -3.2427290000e+00 -8.8998700000e-01  1.3439670000e+00 -3.6206230000e+00 -8.9216200000e-01  5.1260400000e-01 -2.5265920000e+00 -2.5668800000e-01
+ENERGY -1.526544992266e+02
+FORCES -3.7740000000e-03  2.7389000000e-03 -1.6622000000e-03  2.5527000000e-03 -2.1321000000e-03 -2.0714000000e-03  1.1945000000e-03 -4.9380000000e-04  3.7561000000e-03  3.7897000000e-03  1.5554000000e-03  2.7084000000e-03 -3.5593000000e-03  1.4593000000e-03 -4.1300000000e-05 -2.0370000000e-04 -3.1277000000e-03 -2.6895000000e-03
+
+JOB 82
+COORDS -9.5928200000e-01 -3.6734350000e+00 -1.3799890000e+00 -4.4325400000e-01 -4.3881000000e+00 -1.7530850000e+00 -5.5422900000e-01 -3.5035260000e+00 -5.2952200000e-01  9.0948700000e-01  3.6395710000e+00  1.3654800000e+00  9.8749400000e-01  4.3334160000e+00  2.0202510000e+00  8.4378600000e-01  4.1035360000e+00  5.3082300000e-01
+ENERGY -1.526541599943e+02
+FORCES  3.8057000000e-03 -2.0514000000e-03  2.0551000000e-03 -2.1172000000e-03  2.8716000000e-03  1.4769000000e-03 -1.6777000000e-03 -8.5180000000e-04 -3.5144000000e-03 -4.1500000000e-05  4.7350000000e-03 -8.1740000000e-04 -2.9210000000e-04 -2.8435000000e-03 -2.6462000000e-03  3.2280000000e-04 -1.8599000000e-03  3.4461000000e-03
+
+JOB 83
+COORDS  1.0330100000e+00  4.3792490000e+00  3.0271000000e-01  8.9277100000e-01  5.0868290000e+00  9.3191200000e-01  1.9229980000e+00  4.0741910000e+00  4.7904100000e-01 -1.0531740000e+00 -4.3568380000e+00 -3.1326100000e-01 -5.9993500000e-01 -5.1546770000e+00 -5.8576900000e-01 -1.9197100000e+00 -4.4242130000e+00 -7.1427000000e-01
+ENERGY -1.526540024873e+02
+FORCES  3.0463000000e-03  1.4836000000e-03  3.3287000000e-03  5.6690000000e-04 -2.8398000000e-03 -2.5822000000e-03 -3.5995000000e-03  1.3385000000e-03 -7.3610000000e-04 -1.7244000000e-03 -3.4280000000e-03 -2.7974000000e-03 -1.8269000000e-03  3.2365000000e-03  1.1336000000e-03  3.5376000000e-03  2.0920000000e-04  1.6535000000e-03
+
+JOB 84
+COORDS  5.5599900000e-01  1.8105720000e+00  4.3885760000e+00 -1.0169200000e-01  1.5172570000e+00  5.0191640000e+00  2.8859000000e-01  1.4124390000e+00  3.5601960000e+00 -5.1812200000e-01 -1.7932700000e+00 -4.3290050000e+00 -3.0329500000e-01 -2.1863160000e+00 -5.1749330000e+00 -3.0300600000e-01 -8.6642300000e-01 -4.4334640000e+00
+ENERGY -1.526541925443e+02
+FORCES -3.7809000000e-03 -2.8998000000e-03 -8.3240000000e-04  2.6806000000e-03  1.2255000000e-03 -2.5431000000e-03  1.1011000000e-03  1.6896000000e-03  3.3910000000e-03  1.7843000000e-03  2.1486000000e-03 -3.9548000000e-03 -8.8550000000e-04  1.6105000000e-03  3.4576000000e-03 -8.9960000000e-04 -3.7745000000e-03  4.8170000000e-04
+
+JOB 85
+COORDS  2.8739600000e-01  4.8299120000e+00 -6.9168000000e-01  9.7876700000e-01  4.1801890000e+00 -5.6480100000e-01 -4.5919200000e-01  4.3258270000e+00 -1.0153080000e+00 -3.1382400000e-01 -4.7230050000e+00  6.6503500000e-01  4.8607000000e-02 -4.6612920000e+00  1.5488150000e+00 -1.7263200000e-01 -5.6349850000e+00  4.1089100000e-01
+ENERGY -1.526542237984e+02
+FORCES -2.5910000000e-04 -4.7904000000e-03 -8.1920000000e-04 -2.7743000000e-03  2.6991000000e-03 -4.9670000000e-04  3.0399000000e-03  2.1158000000e-03  1.3164000000e-03  2.0195000000e-03 -3.5637000000e-03  2.5903000000e-03 -1.4623000000e-03 -2.0090000000e-04 -3.6251000000e-03 -5.6370000000e-04  3.7400000000e-03  1.0344000000e-03
+
+JOB 86
+COORDS -8.1250000000e-03 -4.1857270000e+00  3.2694580000e+00  3.0455100000e-01 -4.4702440000e+00  2.4106710000e+00  6.5367500000e-01 -4.5040910000e+00  3.8833770000e+00  3.3759000000e-02  4.2086080000e+00 -3.2470620000e+00 -6.3414600000e-01  3.5448020000e+00 -3.0753160000e+00 -4.5556600000e-01  4.9608340000e+00 -3.5801500000e+00
+ENERGY -1.526541170700e+02
+FORCES  4.0237000000e-03 -2.4368000000e-03 -9.8870000000e-04 -1.3070000000e-03  1.1507000000e-03  3.4941000000e-03 -2.7135000000e-03  1.2824000000e-03 -2.5004000000e-03 -4.7461000000e-03  3.5950000000e-04 -5.9920000000e-04  2.7385000000e-03  2.7065000000e-03 -7.4390000000e-04  2.0045000000e-03 -3.0623000000e-03  1.3381000000e-03
+
+JOB 87
+COORDS -3.9556320000e+00 -2.4231300000e+00 -3.0758770000e+00 -3.3124560000e+00 -2.2891000000e+00 -3.7720050000e+00 -4.0364810000e+00 -3.3741740000e+00 -3.0036960000e+00  3.9439200000e+00  2.4342110000e+00  3.1638850000e+00  4.1115000000e+00  3.3459130000e+00  2.9252430000e+00  3.4409990000e+00  2.0824210000e+00  2.4293470000e+00
+ENERGY -1.526540976039e+02
+FORCES  2.2445000000e-03 -3.3800000000e-03 -2.5512000000e-03 -2.5968000000e-03 -5.1540000000e-04  2.8552000000e-03  3.4520000000e-04  3.8942000000e-03 -3.0050000000e-04 -1.4312000000e-03  2.2905000000e-03 -3.9556000000e-03 -6.5790000000e-04 -3.7184000000e-03  9.6880000000e-04  2.0963000000e-03  1.4291000000e-03  2.9833000000e-03
+
+JOB 88
+COORDS  1.3607800000e-01  4.5281900000e+00  3.2415430000e+00 -7.4537500000e-01  4.8362030000e+00  3.0308310000e+00  5.0641600000e-01  5.2184960000e+00  3.7915970000e+00 -6.4825000000e-02 -4.6048640000e+00 -3.2203420000e+00 -8.5268300000e-01 -4.1096180000e+00 -2.9961930000e+00 -1.2376500000e-01 -4.7340320000e+00 -4.1669540000e+00
+ENERGY -1.526540287131e+02
+FORCES -2.0525000000e-03  4.0640000000e-03  1.4042000000e-03  3.5831000000e-03 -1.2618000000e-03  8.4450000000e-04 -1.5241000000e-03 -2.8096000000e-03 -2.2498000000e-03 -3.4307000000e-03  1.5551000000e-03 -2.9018000000e-03  3.1893000000e-03 -2.0559000000e-03 -9.4650000000e-04  2.3500000000e-04  5.0830000000e-04  3.8495000000e-03
+
+JOB 89
+COORDS -8.8751700000e-01  1.9865390000e+00  5.3403980000e+00 -1.7435970000e+00  1.7284610000e+00  4.9987040000e+00 -1.0550650000e+00  2.7980930000e+00  5.8195000000e+00  9.0860600000e-01 -2.0590050000e+00 -5.3900250000e+00  1.6521950000e+00 -2.2032790000e+00 -4.8047960000e+00  6.5234200000e-01 -1.1502290000e+00 -5.2329050000e+00
+ENERGY -1.526541290917e+02
+FORCES -4.1983000000e-03  2.2471000000e-03  6.1890000000e-04  3.5090000000e-03  1.0601000000e-03  1.3636000000e-03  6.9030000000e-04 -3.3062000000e-03 -1.9743000000e-03  2.0120000000e-03  3.1163000000e-03  3.0638000000e-03 -3.0368000000e-03  5.8390000000e-04 -2.4102000000e-03  1.0237000000e-03 -3.7012000000e-03 -6.6180000000e-04
+
+JOB 0
+COORDS -3.9237800000e-01 -5.5277800000e-01 -1.0713120000e+00 -1.1923690000e+00 -2.9504000000e-02 -1.0220070000e+00  1.3066600000e-01 -1.2807300000e-01 -1.7512250000e+00  3.7921400000e-01  4.7055300000e-01  1.1560900000e+00  2.8742100000e-01  2.9034900000e-01  2.2049800000e-01  1.0710690000e+00  1.1301040000e+00  1.2067040000e+00
+ENERGY -1.526537825208e+02
+FORCES -8.6370000000e-04  4.0950000000e-03  6.7951000000e-03  7.5717000000e-03 -1.3136000000e-03  1.2109000000e-03 -1.2041000000e-03  2.4480000000e-04  8.5783000000e-03 -4.5509000000e-03 -9.8891000000e-03 -1.6786400000e-02  1.5483000000e-03  9.8291000000e-03  4.4704000000e-03 -2.5014000000e-03 -2.9662000000e-03 -4.2682000000e-03
+
+JOB 1
+COORDS  6.2959900000e-01 -7.0565000000e-02  1.0961450000e+00  8.7955600000e-01 -9.8738000000e-01  9.8124500000e-01  2.2674900000e-01 -3.8584000000e-02  1.9638560000e+00 -5.9924800000e-01  8.5463000000e-02 -1.1928410000e+00 -1.3126200000e-01  1.6905200000e-01 -3.6203800000e-01 -1.4351700000e+00  5.2703100000e-01 -1.0428980000e+00
+ENERGY -1.526579220737e+02
+FORCES -7.6627000000e-03 -2.1389000000e-03 -7.6199000000e-03 -2.4836000000e-03  5.8699000000e-03  4.5710000000e-04  2.2257000000e-03 -1.3356000000e-03 -4.2771000000e-03  7.3682000000e-03  1.7191000000e-03  1.8853700000e-02 -1.8498000000e-03 -2.9883000000e-03 -8.4889000000e-03  2.4021000000e-03 -1.1263000000e-03  1.0750000000e-03
+
+JOB 2
+COORDS  5.4911600000e-01 -1.2056530000e+00  1.3145800000e-01 -1.1126900000e-01 -1.8885930000e+00  1.4343000000e-02  6.6939000000e-02 -3.8527900000e-01  2.7903000000e-02 -4.7777800000e-01  1.1280190000e+00 -1.2893600000e-01  8.2126000000e-02  1.8086130000e+00 -5.0247500000e-01 -1.1141350000e+00  1.6059220000e+00  4.0293800000e-01
+ENERGY -1.526578099377e+02
+FORCES -9.1731000000e-03  1.7955000000e-02 -2.2656000000e-03  1.9270000000e-04  3.6324000000e-03  5.8720000000e-04  2.6907000000e-03 -6.8003000000e-03 -4.1420000000e-04  7.0315000000e-03 -1.1837700000e-02  2.8094000000e-03 -4.3180000000e-03 -2.0179000000e-03  2.8896000000e-03  3.5763000000e-03 -9.3150000000e-04 -3.6064000000e-03
+
+JOB 3
+COORDS  6.0676600000e-01  2.3753100000e-01 -1.2164880000e+00  9.3762600000e-01 -6.3546800000e-01 -1.0052160000e+00  3.3531000000e-02  4.6088100000e-01 -4.8317500000e-01 -5.5640700000e-01 -1.5418800000e-01  1.1297200000e+00 -1.4949910000e+00 -3.1598900000e-01  1.0342640000e+00 -2.7518300000e-01 -7.6674900000e-01  1.8093630000e+00
+ENERGY -1.526559042477e+02
+FORCES -5.6695000000e-03 -5.8619000000e-03  1.7511200000e-02  9.9720000000e-04  8.8300000000e-04 -2.2864000000e-03 -2.8680000000e-03  3.6696000000e-03 -5.1093000000e-03  4.5042000000e-03 -1.6132000000e-03 -5.8956000000e-03  5.6480000000e-03  1.0378000000e-03 -6.0090000000e-04 -2.6119000000e-03  1.8847000000e-03 -3.6190000000e-03
+
+JOB 4
+COORDS -6.2393400000e-01 -1.1952970000e+00  1.6270600000e-01 -3.7377300000e-01 -3.1278800000e-01 -1.1084100000e-01 -1.5471060000e+00 -1.2689210000e+00 -7.9297000000e-02  6.7762100000e-01  1.0831350000e+00 -1.6004900000e-01  1.3304650000e+00  1.6628840000e+00  2.3227400000e-01 -1.4684300000e-01  1.5633330000e+00 -8.3234000000e-02
+ENERGY -1.526529965195e+02
+FORCES  8.0220000000e-03  9.0431000000e-03 -1.9521000000e-03 -9.4634000000e-03  1.6724000000e-03 -6.9060000000e-04  3.8393000000e-03  3.6361000000e-03  5.7510000000e-04 -8.0310000000e-04 -4.7955000000e-03  5.3571000000e-03 -3.9894000000e-03 -1.0280000000e-03 -2.4694000000e-03  2.3945000000e-03 -8.5280000000e-03 -8.2010000000e-04
+
+JOB 5
+COORDS  8.6617000000e-02 -7.5206800000e-01  1.0541400000e+00 -2.9185800000e-01 -1.4482300000e-01  1.6899400000e+00 -3.7912100000e-01 -1.5751910000e+00  1.2017510000e+00 -2.8035000000e-02  7.7123900000e-01 -1.1693350000e+00  5.4131000000e-02 -2.4329000000e-02 -6.4345300000e-01 -2.6388200000e-01  1.4521210000e+00 -5.3924900000e-01
+ENERGY -1.526571263740e+02
+FORCES -3.4023000000e-03  4.6161000000e-03 -1.6157000000e-03  1.4515000000e-03 -2.8239000000e-03 -3.6648000000e-03  1.9819000000e-03  4.9067000000e-03 -1.4477000000e-03  6.4360000000e-04 -8.0538000000e-03  1.5469100000e-02 -7.7520000000e-04  2.0633000000e-03 -7.5847000000e-03  1.0060000000e-04 -7.0850000000e-04 -1.1562000000e-03
+
+JOB 6
+COORDS  7.2520000000e-02  1.2915500000e+00 -2.0016000000e-02  6.2130900000e-01  1.8472330000e+00 -5.7344100000e-01 -7.3900100000e-01  1.7874700000e+00  8.8285000000e-02 -1.8048000000e-02 -1.3943020000e+00  2.5404000000e-02 -8.8598700000e-01 -1.5507790000e+00  3.9746400000e-01  8.5266000000e-02 -4.4298900000e-01  4.9092000000e-02
+ENERGY -1.526593114316e+02
+FORCES -1.1940000000e-03 -5.5673000000e-03 -2.2497000000e-03 -3.8870000000e-03 -1.4958000000e-03  2.9849000000e-03  4.3478000000e-03 -1.8112000000e-03 -9.7010000000e-04 -1.1138000000e-03  1.5908700000e-02  5.3560000000e-04  1.9124000000e-03  1.4969000000e-03 -1.0214000000e-03 -6.5300000000e-05 -8.5314000000e-03  7.2070000000e-04
+
+JOB 7
+COORDS  7.6805400000e-01  8.9229700000e-01 -7.5719200000e-01  3.5818700000e-01  2.5283400000e-01 -1.7467500000e-01  1.5217200000e-01  1.6246620000e+00 -7.8092500000e-01 -6.6080400000e-01 -8.5680800000e-01  7.4544400000e-01 -1.5951160000e+00 -6.5311100000e-01  7.0301700000e-01 -5.9618400000e-01 -1.7554650000e+00  4.2222500000e-01
+ENERGY -1.526595788960e+02
+FORCES -9.9664000000e-03 -8.6702000000e-03  9.9894000000e-03  5.6426000000e-03  5.3753000000e-03 -6.0293000000e-03  7.7570000000e-04 -2.3979000000e-03  2.7500000000e-04 -4.3480000000e-04  1.6539000000e-03 -5.4345000000e-03  4.8982000000e-03 -1.1752000000e-03 -2.5540000000e-04 -9.1530000000e-04  5.2141000000e-03  1.4549000000e-03
+
+JOB 8
+COORDS -7.2657100000e-01  4.1191400000e-01  1.1497810000e+00 -8.2592000000e-01 -5.2848400000e-01  1.2981450000e+00 -3.8540000000e-01  4.7945200000e-01  2.5800000000e-01  7.0120200000e-01 -3.2523800000e-01 -1.0504900000e+00  9.3168100000e-01  3.3029000000e-02 -1.9076700000e+00  6.7048300000e-01 -1.2722190000e+00 -1.1865600000e+00
+ENERGY -1.526578050607e+02
+FORCES  7.8348000000e-03 -6.4672000000e-03 -1.1651700000e-02 -1.6450000000e-04  1.7555000000e-03  2.7820000000e-04 -4.4711000000e-03  4.0448000000e-03  4.5531000000e-03 -1.8131000000e-03 -1.9648000000e-03  2.0174000000e-03 -1.5268000000e-03 -2.0927000000e-03  4.4949000000e-03  1.4070000000e-04  4.7244000000e-03  3.0810000000e-04
+
+JOB 9
+COORDS  1.2539800000e+00 -1.8508800000e-01 -3.8953300000e-01  1.6368910000e+00 -9.1709900000e-01  9.3966000000e-02  1.7322350000e+00  5.8383300000e-01 -7.9268000000e-02 -1.3433340000e+00  2.1872300000e-01  3.9460500000e-01 -4.0015000000e-01  1.0436900000e-01  2.7816500000e-01 -1.7337790000e+00 -2.2794400000e-01 -3.5657500000e-01
+ENERGY -1.526601150103e+02
+FORCES  3.7470000000e-04  4.4770000000e-04  1.9653000000e-03 -3.0928000000e-03  4.6927000000e-03 -1.9400000000e-03 -4.1722000000e-03 -4.8228000000e-03 -3.2130000000e-04  1.3852300000e-02 -3.7983000000e-03 -8.0078000000e-03 -7.4066000000e-03  2.6473000000e-03  6.0352000000e-03  4.4460000000e-04  8.3340000000e-04  2.2686000000e-03
+
+JOB 10
+COORDS -6.8950000000e-01  8.4061600000e-01 -7.4689000000e-01 -5.0550100000e-01  1.6196090000e+00 -1.2718150000e+00 -1.2328460000e+00  2.9252300000e-01 -1.3131070000e+00  7.7186600000e-01 -8.6418600000e-01  7.9591800000e-01  1.5677800000e-01 -1.2960740000e+00  1.3886840000e+00  2.3442100000e-01 -2.4523000000e-01  3.0167300000e-01
+ENERGY -1.526603512489e+02
+FORCES  3.9401000000e-03 -1.5242000000e-03 -5.7520000000e-04 -2.5868000000e-03 -4.1726000000e-03  1.1196000000e-03  3.0231000000e-03  2.9169000000e-03  3.3020000000e-03 -7.7141000000e-03  9.3887000000e-03 -5.7612000000e-03  6.8230000000e-04  1.5852000000e-03 -2.8680000000e-03  2.6554000000e-03 -8.1940000000e-03  4.7828000000e-03
+
+JOB 11
+COORDS -9.2487100000e-01 -1.0592410000e+00  4.6672000000e-02 -1.5172000000e+00 -8.3145300000e-01  7.6325400000e-01 -2.0235700000e-01 -4.3632900000e-01  1.2532000000e-01  8.8656800000e-01  9.5099000000e-01 -7.9395000000e-02  9.7423800000e-01  1.4277060000e+00 -9.0479600000e-01  1.3067870000e+00  1.5153950000e+00  5.6952300000e-01
+ENERGY -1.526601026613e+02
+FORCES  8.1522000000e-03  1.1517700000e-02  1.3232000000e-03  2.1664000000e-03 -1.0550000000e-04 -1.5825000000e-03 -5.1513000000e-03 -6.8293000000e-03  6.0920000000e-04 -3.8026000000e-03 -2.0905000000e-03 -1.5035000000e-03  9.2720000000e-04 -7.9590000000e-04  5.0568000000e-03 -2.2919000000e-03 -1.6965000000e-03 -3.9032000000e-03
+
+JOB 12
+COORDS  6.2327800000e-01  9.8440000000e-01 -8.2222200000e-01  1.4281580000e+00  5.0362300000e-01 -6.2921000000e-01 -5.7620000000e-02  5.1627000000e-01 -3.3904100000e-01 -6.5552800000e-01 -8.8990700000e-01  7.3107600000e-01 -3.3304500000e-01 -5.8948400000e-01  1.5807720000e+00 -5.8381300000e-01 -1.8435940000e+00  7.7069900000e-01
+ENERGY -1.526583059062e+02
+FORCES -4.5827000000e-03 -1.2693300000e-02  6.6461000000e-03 -8.8070000000e-04  2.0525000000e-03 -4.1670000000e-04  2.1106000000e-03  7.6408000000e-03 -4.8570000000e-04  3.4725000000e-03 -4.7500000000e-04 -1.5987000000e-03 -5.4900000000e-04 -1.1329000000e-03 -5.7251000000e-03  4.2920000000e-04  4.6079000000e-03  1.5800000000e-03
+
+JOB 13
+COORDS -1.6327700000e-01 -2.6205100000e-01 -1.3939010000e+00 -1.3817200000e-01  1.1433300000e-01 -5.1416400000e-01 -7.7276900000e-01 -9.9673900000e-01 -1.3233000000e+00  2.0775300000e-01  2.7184600000e-01  1.2667490000e+00  1.9053700000e-01 -3.7964600000e-01  1.9678140000e+00  4.9783000000e-02  1.1054630000e+00  1.7098740000e+00
+ENERGY -1.526594224032e+02
+FORCES  1.4770000000e-04  5.6210000000e-04  1.4102100000e-02 -1.7842000000e-03  1.1748000000e-03 -8.3094000000e-03  1.8331000000e-03  1.5500000000e-03 -7.5000000000e-06 -3.9100000000e-04 -2.8622000000e-03 -1.4285000000e-03 -3.3620000000e-04  4.3086000000e-03 -2.1293000000e-03  5.3060000000e-04 -4.7333000000e-03 -2.2274000000e-03
+
+JOB 14
+COORDS  1.0886520000e+00  3.1160000000e-03  7.5210600000e-01  2.0217810000e+00  2.1397100000e-01  7.1981900000e-01  1.0442610000e+00 -8.1379200000e-01  1.2490180000e+00 -1.1823250000e+00  7.7675000000e-02 -8.0960100000e-01 -3.3035300000e-01  2.5121100000e-01 -4.0927500000e-01 -1.3170400000e+00 -8.6232400000e-01 -6.8924700000e-01
+ENERGY -1.526593117555e+02
+FORCES -1.2426000000e-03 -2.1069000000e-03 -8.0110000000e-04 -4.4756000000e-03 -1.9719000000e-03  9.1730000000e-04  9.2990000000e-04  3.6900000000e-03 -2.9999000000e-03  1.1490400000e-02 -2.3427000000e-03  7.2990000000e-03 -6.8306000000e-03  6.0970000000e-04 -4.6882000000e-03  1.2840000000e-04  2.1218000000e-03  2.7290000000e-04
+
+JOB 15
+COORDS  9.0294500000e-01  3.2543000000e-02  9.9117400000e-01  3.6009800000e-01  4.6203300000e-01  1.6523000000e+00  1.7010230000e+00  5.5989200000e-01  9.5642600000e-01 -9.1187300000e-01 -1.2365100000e-01 -1.0843720000e+00 -3.9670600000e-01 -1.6097900000e-01 -2.7849300000e-01 -1.5677250000e+00  5.5360300000e-01 -9.1879200000e-01
+ENERGY -1.526583999130e+02
+FORCES  1.4568000000e-03  3.9574000000e-03 -3.0168000000e-03  9.4260000000e-04 -1.9070000000e-03 -6.1809000000e-03 -4.0488000000e-03 -2.1702000000e-03  2.2620000000e-03  8.5433000000e-03  1.8719000000e-03  9.5728000000e-03 -9.6934000000e-03  3.0000000000e-05 -3.6787000000e-03  2.7996000000e-03 -1.7821000000e-03  1.0416000000e-03
+
+JOB 16
+COORDS  5.6451000000e-02  1.3545940000e+00 -4.5360100000e-01  1.4210100000e-01  4.2798000000e-01 -2.2936500000e-01  9.2429000000e-01  1.6062980000e+00 -7.6940500000e-01 -1.0316300000e-01 -1.2568640000e+00  4.7260400000e-01 -9.0076700000e-01 -1.7228880000e+00  2.2184400000e-01  5.8023800000e-01 -1.9269720000e+00  4.6032000000e-01
+ENERGY -1.526608268328e+02
+FORCES  1.3890000000e-03 -1.1164000000e-02  3.8221000000e-03  1.0515000000e-03  9.6451000000e-03 -4.4553000000e-03 -2.1413000000e-03 -2.1929000000e-03  1.3225000000e-03 -1.4730000000e-03 -7.9220000000e-04 -1.6099000000e-03  4.8675000000e-03  1.3056000000e-03  1.3812000000e-03 -3.6937000000e-03  3.1983000000e-03 -4.6070000000e-04
+
+JOB 17
+COORDS -3.6621500000e-01  1.2332770000e+00 -6.4746500000e-01 -1.8182500000e-01  4.5279800000e-01 -1.2488900000e-01 -5.6936000000e-02  1.0124450000e+00 -1.5259930000e+00  3.8876400000e-01 -1.1366810000e+00  6.2828300000e-01  1.7085500000e-01 -1.0777870000e+00  1.5584870000e+00 -1.7048500000e-01 -1.8382660000e+00  2.9474000000e-01
+ENERGY -1.526605748617e+02
+FORCES  6.2102000000e-03 -1.2445900000e-02  3.8852000000e-03 -5.0785000000e-03  8.6151000000e-03 -2.9255000000e-03 -1.4286000000e-03  2.5170000000e-04  2.1317000000e-03 -2.4858000000e-03 -1.4273000000e-03  1.2263000000e-03  1.0110000000e-04  3.8570000000e-04 -5.9227000000e-03  2.6816000000e-03  4.6206000000e-03  1.6049000000e-03
+
+JOB 18
+COORDS -3.6231200000e-01  7.3460600000e-01  1.0890320000e+00  2.6048300000e-01  1.3709440000e+00  1.4403600000e+00 -3.2768400000e-01  8.7100000000e-04  1.7027630000e+00  3.7788700000e-01 -7.7495900000e-01 -1.1525500000e+00 -2.7772300000e-01 -6.1451600000e-01 -1.8312730000e+00  1.2338200000e-01 -1.9853600000e-01 -4.3199800000e-01
+ENERGY -1.526618256762e+02
+FORCES  2.9009000000e-03 -6.6170000000e-04  2.6017000000e-03 -3.1808000000e-03 -3.8494000000e-03 -1.2247000000e-03  8.0260000000e-04  3.9910000000e-03 -4.5748000000e-03 -5.2651000000e-03  8.6341000000e-03  7.6798000000e-03  1.6701000000e-03 -6.2100000000e-05  2.3915000000e-03  3.0724000000e-03 -8.0520000000e-03 -6.8734000000e-03
+
+JOB 19
+COORDS -1.4290500000e+00  1.5000500000e-01  1.7751400000e-01 -4.7443500000e-01  7.9988000000e-02  1.8384800000e-01 -1.6822800000e+00 -1.0202400000e-01 -7.1051000000e-01  1.3402850000e+00 -8.2304000000e-02 -1.3828300000e-01  1.6035800000e+00 -4.2867600000e-01  7.1432100000e-01  1.8770890000e+00 -5.6265700000e-01 -7.6862800000e-01
+ENERGY -1.526595772762e+02
+FORCES  1.2412400000e-02 -1.3718000000e-03 -6.0031000000e-03 -7.1114000000e-03  9.5000000000e-05  5.9675000000e-03  5.8000000000e-05  5.0290000000e-04  2.2446000000e-03 -3.2480000000e-04 -3.0436000000e-03 -1.0858000000e-03 -3.3736000000e-03  1.6862000000e-03 -4.9661000000e-03 -1.6606000000e-03  2.1314000000e-03  3.8430000000e-03
+
+JOB 20
+COORDS -5.0337900000e-01  1.3163420000e+00  2.9741800000e-01 -7.9757200000e-01  1.2121780000e+00  1.2023110000e+00 -1.8766500000e-01  4.4830700000e-01  4.6279000000e-02  4.4780000000e-01 -1.2518810000e+00 -3.0173900000e-01  1.3275430000e+00 -1.3993020000e+00  4.5464000000e-02  5.5252100000e-01 -1.3059460000e+00 -1.2516560000e+00
+ENERGY -1.526614008640e+02
+FORCES  2.9227000000e-03 -1.3285700000e-02 -7.1900000000e-05  1.3950000000e-03  1.4150000000e-04 -2.2846000000e-03 -2.8394000000e-03  1.0298100000e-02  3.7850000000e-04  3.2859000000e-03  6.4380000000e-04 -1.4130000000e-03 -4.6661000000e-03  8.5240000000e-04 -2.1859000000e-03 -9.8100000000e-05  1.3499000000e-03  5.5769000000e-03
+
+JOB 21
+COORDS -1.3270400000e+00 -1.7292100000e-01 -1.4198000000e-01 -2.0453430000e+00  2.5101900000e-01  3.2764500000e-01 -1.6636950000e+00 -1.0415550000e+00 -3.6191400000e-01  1.4235280000e+00  1.6109800000e-01  1.6056500000e-01  4.7582200000e-01  1.6522200000e-01  2.9498500000e-01  1.5741130000e+00  8.3014000000e-01 -5.0722200000e-01
+ENERGY -1.526607413525e+02
+FORCES  2.1390000000e-04 -3.4173000000e-03 -1.7610000000e-04  3.8704000000e-03 -2.4073000000e-03 -2.3107000000e-03 -1.9410000000e-04  4.8885000000e-03  1.3983000000e-03 -1.2191500000e-02  4.7350000000e-04 -3.4802000000e-03  8.5586000000e-03  2.1460000000e-03  2.6093000000e-03 -2.5740000000e-04 -1.6833000000e-03  1.9593000000e-03
+
+JOB 22
+COORDS -6.0720300000e-01 -6.8928000000e-01  1.0268400000e+00  2.1339600000e-01 -9.0703000000e-01  1.4689180000e+00 -1.0241990000e+00 -4.4816000000e-02  1.5986900000e+00  6.2357900000e-01  6.5068100000e-01 -1.1422580000e+00  4.5929400000e-01  1.5012620000e+00 -7.3512900000e-01  6.8163000000e-02  4.0871000000e-02 -6.5658800000e-01
+ENERGY -1.526595944982e+02
+FORCES  3.3833000000e-03  3.0805000000e-03  3.0411000000e-03 -4.5675000000e-03  1.7389000000e-03 -2.3684000000e-03  2.8933000000e-03 -2.4843000000e-03 -2.9877000000e-03 -7.6889000000e-03 -3.5397000000e-03  1.0231400000e-02  8.5310000000e-04 -1.9238000000e-03 -9.3880000000e-04  5.1268000000e-03  3.1285000000e-03 -6.9777000000e-03
+
+JOB 23
+COORDS  1.2479260000e+00  2.5257000000e-02 -5.6397500000e-01  2.1770220000e+00  2.4539300000e-01 -4.9650200000e-01  9.2106500000e-01  5.7868400000e-01 -1.2732800000e+00 -1.3311160000e+00 -9.5401000000e-02  6.1390600000e-01 -7.6304700000e-01  3.9991900000e-01  1.2039800000e+00 -9.0727100000e-01 -2.6174000000e-02 -2.4154400000e-01
+ENERGY -1.526537148539e+02
+FORCES  1.7193000000e-03  1.7724000000e-03 -1.5227000000e-03 -4.6909000000e-03 -6.4760000000e-04  1.1360000000e-04 -2.1174000000e-03 -3.7012000000e-03  5.3444000000e-03  1.2814500000e-02  4.6750000000e-04 -1.6296000000e-03 -4.2911000000e-03 -2.4590000000e-04  3.7610000000e-04 -3.4343000000e-03  2.3548000000e-03 -2.6818000000e-03
+
+JOB 24
+COORDS  3.5780000000e-01  1.1580830000e+00  6.4182500000e-01  1.0612510000e+00  1.7302140000e+00  3.3514400000e-01  6.9860900000e-01  7.6936100000e-01  1.4474150000e+00 -3.9960800000e-01 -1.2149320000e+00 -7.2166800000e-01 -1.3062100000e+00 -9.6779800000e-01 -5.3937900000e-01  1.1613200000e-01 -7.2476300000e-01 -8.1373000000e-02
+ENERGY -1.526568925398e+02
+FORCES  3.0539000000e-03  2.2844000000e-03 -1.1135000000e-03 -3.2880000000e-03 -2.8908000000e-03  2.4008000000e-03 -2.2689000000e-03 -1.4720000000e-03 -6.7644000000e-03 -2.3000000000e-04  1.2430700000e-02  5.2617000000e-03  1.9592000000e-03 -2.3728000000e-03 -8.9570000000e-04  7.7380000000e-04 -7.9795000000e-03  1.1111000000e-03
+
+JOB 25
+COORDS -1.0386400000e+00 -8.6447600000e-01  4.9724700000e-01 -1.9186150000e+00 -7.6105400000e-01  1.3506000000e-01 -6.0639700000e-01 -2.9052000000e-02  3.1986400000e-01  1.0135560000e+00  8.1387500000e-01 -4.3808100000e-01  1.0826630000e+00  6.7380600000e-01 -1.3824520000e+00  1.9166700000e+00  9.4146400000e-01 -1.4767000000e-01
+ENERGY -1.526596386051e+02
+FORCES  5.3148000000e-03  6.9379000000e-03 -2.6086000000e-03  3.8724000000e-03  4.6950000000e-04  1.3000000000e-05 -8.2192000000e-03 -4.5461000000e-03  2.0207000000e-03  2.3803000000e-03 -3.9860000000e-03 -9.6610000000e-04  5.2500000000e-05  1.5525000000e-03  4.2088000000e-03 -3.4007000000e-03 -4.2790000000e-04 -2.6678000000e-03
+
+JOB 26
+COORDS -1.2295700000e+00  5.7335300000e-01 -5.8246900000e-01 -6.1251000000e-01 -9.8315000000e-02 -2.9207200000e-01 -1.4998920000e+00  1.0150660000e+00  2.2254600000e-01  1.1743790000e+00 -5.0930900000e-01  4.8741900000e-01  1.0405060000e+00 -1.4482270000e+00  3.5802400000e-01  1.8959980000e+00 -4.5387100000e-01  1.1138570000e+00
+ENERGY -1.526563978993e+02
+FORCES  9.0605000000e-03 -9.8830000000e-04  7.7067000000e-03 -5.6707000000e-03 -3.5535000000e-03 -3.6472000000e-03 -3.3470000000e-04 -7.4100000000e-04 -2.7576000000e-03  2.3550000000e-03  1.3850000000e-04  1.6760000000e-03 -2.3457000000e-03  6.3353000000e-03  1.8000000000e-05 -3.0645000000e-03 -1.1910000000e-03 -2.9960000000e-03
+
+JOB 27
+COORDS -8.2888200000e-01 -1.1358130000e+00 -3.2881600000e-01 -3.6029000000e-02 -6.9631000000e-01 -2.1485000000e-02 -5.2320500000e-01 -1.9826880000e+00 -6.5377200000e-01  7.2927300000e-01  1.1091820000e+00  3.6291600000e-01  4.8828800000e-01  1.5138520000e+00 -4.7039100000e-01  1.5259370000e+00  1.5672970000e+00  6.3066400000e-01
+ENERGY -1.526606399297e+02
+FORCES  6.3874000000e-03  3.3567000000e-03  3.2742000000e-03 -5.5441000000e-03 -6.6189000000e-03 -4.9005000000e-03  6.6700000000e-05  3.5160000000e-03  1.3408000000e-03  1.2240000000e-04  3.4991000000e-03 -2.0551000000e-03  2.7817000000e-03 -2.3138000000e-03  4.3636000000e-03 -3.8141000000e-03 -1.4391000000e-03 -2.0230000000e-03
+
+JOB 28
+COORDS -7.3721200000e-01  1.2736960000e+00 -5.1758000000e-02 -1.5888030000e+00  1.1642480000e+00 -4.7489500000e-01 -3.7487200000e-01  3.8874900000e-01 -9.2040000000e-03  7.0570700000e-01 -1.1884900000e+00  6.5978000000e-02  1.4633600000e+00 -1.0899140000e+00 -5.1063100000e-01  1.0303340000e+00 -1.7068170000e+00  8.0231100000e-01
+ENERGY -1.526620409738e+02
+FORCES  2.4806000000e-03 -9.6232000000e-03  2.5320000000e-04  2.8937000000e-03 -4.4550000000e-04  1.2133000000e-03 -4.9783000000e-03  9.1056000000e-03 -2.1920000000e-03  3.5043000000e-03  2.2810000000e-04  1.6565000000e-03 -3.6015000000e-03 -1.0257000000e-03  3.3628000000e-03 -2.9900000000e-04  1.7606000000e-03 -4.2938000000e-03
+
+JOB 29
+COORDS -1.1062280000e+00  8.4165400000e-01  3.5479000000e-01 -4.6461100000e-01  1.4653800000e+00  6.9468200000e-01 -1.4358790000e+00  3.8932000000e-01  1.1312920000e+00  1.1295710000e+00 -8.9127500000e-01 -3.8868700000e-01  4.1949200000e-01 -3.4635800000e-01 -4.9444000000e-02  1.0876440000e+00 -7.7643800000e-01 -1.3380480000e+00
+ENERGY -1.526601278957e+02
+FORCES -1.8772000000e-03  2.5889000000e-03  4.6282000000e-03 -1.7854000000e-03 -6.2742000000e-03 -2.7305000000e-03  3.5723000000e-03  1.8367000000e-03 -4.5769000000e-03 -9.9048000000e-03  5.9866000000e-03 -1.8466000000e-03  9.1684000000e-03 -3.7837000000e-03  1.6925000000e-03  8.2670000000e-04 -3.5420000000e-04  2.8333000000e-03
+
+JOB 30
+COORDS -5.4991800000e-01  1.3840170000e+00 -3.4233000000e-02  2.1129800000e-01  1.9165870000e+00 -2.6477600000e-01 -2.5671300000e-01  4.8097500000e-01 -1.5579300000e-01  5.0906000000e-01 -1.3051240000e+00  5.4301000000e-02 -1.5776400000e-01 -1.7020940000e+00 -5.0605000000e-01  8.1213100000e-01 -2.0220250000e+00  6.1146700000e-01
+ENERGY -1.526592982665e+02
+FORCES  7.3607000000e-03 -6.9859000000e-03  1.0111000000e-03 -2.4370000000e-03 -1.3228000000e-03  7.3590000000e-04 -5.8838000000e-03  5.1762000000e-03 -4.5197000000e-03 -4.0980000000e-04 -3.1558000000e-03  3.3226000000e-03  2.9317000000e-03  4.4795000000e-03  3.2553000000e-03 -1.5618000000e-03  1.8089000000e-03 -3.8052000000e-03
+
+JOB 31
+COORDS -6.2348800000e-01 -2.6643400000e-01 -1.3322410000e+00 -1.0476010000e+00 -1.1129100000e+00 -1.1913920000e+00 -2.3986300000e-01 -4.6027000000e-02 -4.8342700000e-01  6.0933600000e-01  3.4209500000e-01  1.2298950000e+00  5.5790000000e-02 -7.7213000000e-02  1.8886810000e+00  1.4924180000e+00  2.7110000000e-02  1.4227270000e+00
+ENERGY -1.526608286112e+02
+FORCES  3.9987000000e-03  4.6560000000e-04  9.4582000000e-03  1.4079000000e-03  2.6133000000e-03  4.8060000000e-04 -5.9835000000e-03 -3.1649000000e-03 -8.5959000000e-03  2.7608000000e-03 -2.1285000000e-03  3.2563000000e-03  2.7183000000e-03  1.0404000000e-03 -4.6377000000e-03 -4.9022000000e-03  1.1742000000e-03  3.8400000000e-05
+
+JOB 32
+COORDS  3.9233700000e-01 -4.4662700000e-01  1.3483110000e+00  6.5419300000e-01  1.0571700000e-01  2.0849110000e+00 -3.1216000000e-02  1.5491400000e-01  7.3595200000e-01 -4.2473500000e-01  4.2413000000e-01 -1.3072690000e+00 -4.6246500000e-01 -4.8979300000e-01 -1.5893230000e+00  2.9296800000e-01  8.0258200000e-01 -1.8151150000e+00
+ENERGY -1.526609986232e+02
+FORCES -2.6315000000e-03  5.2360000000e-03 -5.0575000000e-03 -8.9910000000e-04 -8.8480000000e-04 -3.5565000000e-03  2.6994000000e-03 -3.5622000000e-03  9.2465000000e-03  4.0930000000e-03 -4.0633000000e-03 -3.5706000000e-03  8.6800000000e-05  4.9855000000e-03  8.2830000000e-04 -3.3487000000e-03 -1.7113000000e-03  2.1098000000e-03
+
+JOB 33
+COORDS  8.9407500000e-01 -3.3640700000e-01  1.1105010000e+00  2.1888800000e-01  3.0350700000e-01  8.8497000000e-01  1.4234760000e+00  9.8730000000e-02  1.7788000000e+00 -8.5820000000e-01  2.5671600000e-01 -1.0727220000e+00 -3.5138400000e-01  4.5627000000e-01 -1.8598360000e+00 -1.7670620000e+00  4.2026600000e-01 -1.3246200000e+00
+ENERGY -1.526579654970e+02
+FORCES -4.4094000000e-03  3.6912000000e-03 -2.3447000000e-03  5.4278000000e-03 -1.3052000000e-03  6.4210000000e-03 -2.4687000000e-03 -9.7140000000e-04 -3.3169000000e-03  5.0380000000e-04 -6.2550000000e-04 -5.1166000000e-03 -3.3868000000e-03 -1.9120000000e-04  3.0055000000e-03  4.3333000000e-03 -5.9790000000e-04  1.3518000000e-03
+
+JOB 34
+COORDS  9.0613300000e-01 -6.4294200000e-01 -1.0362680000e+00  5.4290600000e-01  1.7651900000e-01 -7.0043900000e-01  1.0980990000e+00 -1.1590460000e+00 -2.5331300000e-01 -8.7679500000e-01  6.0535300000e-01  9.1387900000e-01 -1.3765850000e+00  1.3879390000e+00  1.1462620000e+00 -7.0608500000e-01  1.7245700000e-01  1.7503540000e+00
+ENERGY -1.526577894300e+02
+FORCES -5.8878000000e-03  3.6857000000e-03  8.4947000000e-03  5.0372000000e-03 -2.0656000000e-03 -5.1544000000e-03  2.9800000000e-04  4.5660000000e-04 -2.1800000000e-03 -1.7246000000e-03 -2.3020000000e-04  3.9420000000e-03  2.5611000000e-03 -3.8253000000e-03 -1.0547000000e-03 -2.8380000000e-04  1.9788000000e-03 -4.0477000000e-03
+
+JOB 35
+COORDS -8.9227300000e-01  9.0217100000e-01 -6.0914900000e-01 -1.1108570000e+00  1.7595480000e+00 -2.4396700000e-01 -1.5928070000e+00  7.2275800000e-01 -1.2362810000e+00  9.5015400000e-01 -9.2706900000e-01  6.9011200000e-01  1.2605370000e+00 -1.7494280000e+00  3.1114200000e-01  6.1710100000e-01 -4.2933000000e-01 -5.6590000000e-02
+ENERGY -1.526594928103e+02
+FORCES -3.3202000000e-03  2.3026000000e-03  1.7701000000e-03 -2.1900000000e-04 -3.5268000000e-03 -2.6573000000e-03  3.1038000000e-03  1.0821000000e-03  2.7334000000e-03 -4.1256000000e-03  3.3061000000e-03 -5.2746000000e-03 -1.9499000000e-03  3.0678000000e-03  4.5900000000e-04  6.5109000000e-03 -6.2318000000e-03  2.9693000000e-03
+
+JOB 36
+COORDS -1.3813410000e+00  3.0488400000e-01 -5.5406700000e-01 -2.0293670000e+00  8.9804600000e-01 -1.7399800000e-01 -7.4837000000e-01  1.5868100000e-01  1.4892900000e-01  1.4030590000e+00 -3.8971300000e-01  4.7540100000e-01  1.1985020000e+00  3.5020400000e-01 -9.6360000000e-02  1.2122870000e+00 -7.1168000000e-02  1.3576520000e+00
+ENERGY -1.526549513707e+02
+FORCES  5.8180000000e-04 -1.8532000000e-03  4.4112000000e-03  3.7965000000e-03 -2.5753000000e-03 -7.5140000000e-04 -2.0847000000e-03  6.3931000000e-03 -3.0619000000e-03  2.7405000000e-03  4.2424000000e-03 -5.5550000000e-04 -2.5049000000e-03 -4.6070000000e-03  5.4830000000e-03 -2.5292000000e-03 -1.6000000000e-03 -5.5254000000e-03
+
+JOB 37
+COORDS -1.2693300000e-01 -8.3582900000e-01 -1.2217200000e+00  6.0625400000e-01 -1.4458500000e+00 -1.1408370000e+00  1.5938600000e-01 -2.0237800000e-01 -1.8797420000e+00  1.0132900000e-01  8.8219100000e-01  1.2771220000e+00  1.1842800000e-01  5.2578700000e-01  3.8891300000e-01 -5.0277400000e-01  3.1213500000e-01  1.7528620000e+00
+ENERGY -1.526602296004e+02
+FORCES  3.4606000000e-03 -2.9635000000e-03 -4.5236000000e-03 -3.6983000000e-03  3.7504000000e-03 -1.4730000000e-04 -8.9840000000e-04 -2.2128000000e-03  5.5986000000e-03 -4.1337000000e-03 -7.5271000000e-03 -6.0735000000e-03  3.0192000000e-03  6.8349000000e-03  5.3845000000e-03  2.2506000000e-03  2.1182000000e-03 -2.3870000000e-04
+
+JOB 38
+COORDS -6.1600900000e-01 -3.7227100000e-01  1.3068910000e+00  2.3958100000e-01 -7.6456600000e-01  1.4809640000e+00 -1.2240180000e+00 -1.1115600000e+00  1.3095990000e+00  6.2378700000e-01  4.6882100000e-01 -1.3748820000e+00 -2.4665700000e-01  1.2208700000e-01 -1.1790910000e+00  1.1397730000e+00  2.7836400000e-01 -5.9148100000e-01
+ENERGY -1.526554436172e+02
+FORCES  9.3580000000e-04 -4.6537000000e-03  2.7488000000e-03 -3.0197000000e-03  2.8593000000e-03 -3.0272000000e-03  2.9379000000e-03  3.8365000000e-03 -1.2624000000e-03 -4.8273000000e-03 -1.7375000000e-03  8.9363000000e-03  2.6500000000e-03  2.1720000000e-04 -5.0893000000e-03  1.3233000000e-03 -5.2180000000e-04 -2.3061000000e-03
+
+JOB 39
+COORDS  2.5933400000e-01 -1.0807240000e+00 -1.1416050000e+00 -5.7426400000e-01 -9.2373900000e-01 -6.9809400000e-01  6.7454700000e-01 -2.1931300000e-01 -1.1840470000e+00 -2.7952300000e-01  1.0554960000e+00  1.1519410000e+00  2.5310300000e-01  3.2959500000e-01  1.4769160000e+00 -1.6363000000e-02  1.1554710000e+00  2.3707300000e-01
+ENERGY -1.526526473868e+02
+FORCES -3.2314000000e-03  3.8784000000e-03  1.4589000000e-03  5.0984000000e-03 -5.6200000000e-04 -2.3355000000e-03 -2.5389000000e-03 -1.2293000000e-03  3.0675000000e-03  4.9610000000e-03 -3.0266000000e-03 -1.3347000000e-03 -3.2783000000e-03  3.7057000000e-03 -1.5020000000e-03 -1.0107000000e-03 -2.7662000000e-03  6.4590000000e-04
+
+JOB 40
+COORDS -4.5123600000e-01 -1.2663420000e+00 -8.4807900000e-01 -3.7113700000e-01 -6.8423600000e-01 -9.2455000000e-02 -4.8546000000e-02 -7.8134900000e-01 -1.5683950000e+00  4.7681600000e-01  1.1782510000e+00  8.0470200000e-01 -4.4448600000e-01  1.2756820000e+00  5.6399200000e-01  5.1848600000e-01  1.4669240000e+00  1.7163840000e+00
+ENERGY -1.526568432212e+02
+FORCES  6.4335000000e-03  5.4058000000e-03  2.0441000000e-03 -6.4185000000e-03 -1.3764000000e-03 -3.7210000000e-03 -2.7441000000e-03 -1.9405000000e-03  1.8002000000e-03 -1.8302000000e-03  4.2776000000e-03  4.1240000000e-03  5.1650000000e-03 -5.2256000000e-03  3.0630000000e-04 -6.0570000000e-04 -1.1408000000e-03 -4.5536000000e-03
+
+JOB 41
+COORDS  3.3636000000e-02 -4.7239500000e-01  1.3995410000e+00  2.0191200000e-01 -1.3871300000e-01  2.2807740000e+00 -7.8617900000e-01 -9.5990000000e-01  1.4800100000e+00  3.7047000000e-02  4.9272400000e-01 -1.5182960000e+00 -7.3947200000e-01  9.3740900000e-01 -1.1784350000e+00  2.8490200000e-01 -1.2012300000e-01 -8.2604000000e-01
+ENERGY -1.526589837988e+02
+FORCES -1.1450000000e-03  2.9440000000e-04  5.2918000000e-03 -1.8146000000e-03 -1.9798000000e-03 -3.4468000000e-03  3.7322000000e-03  2.9579000000e-03 -1.2300000000e-03 -9.6750000000e-04 -7.8190000000e-04  9.3553000000e-03  1.3739000000e-03 -1.0219000000e-03 -2.5901000000e-03 -1.1789000000e-03  5.3130000000e-04 -7.3802000000e-03
+
+JOB 42
+COORDS  2.3151400000e-01  1.1830840000e+00 -9.8232900000e-01 -6.6847800000e-01  1.4003380000e+00 -7.3933300000e-01  7.7027200000e-01  1.7903980000e+00 -4.7523800000e-01 -1.9263500000e-01 -1.2456890000e+00  1.0036230000e+00 -8.2301600000e-01 -1.7255380000e+00  4.6641100000e-01  6.7973000000e-02 -5.0160900000e-01  4.6079800000e-01
+ENERGY -1.526597437167e+02
+FORCES -1.1017000000e-03  7.2792000000e-03 -2.3400000000e-05  5.0332000000e-03 -3.1332000000e-03 -1.2650000000e-04 -3.1100000000e-03 -4.0025000000e-03 -1.8274000000e-03  6.6830000000e-04  2.8296000000e-03 -7.7303000000e-03  1.4979000000e-03  1.8982000000e-03  2.2339000000e-03 -2.9877000000e-03 -4.8713000000e-03  7.4736000000e-03
+
+JOB 43
+COORDS  1.0032190000e+00 -7.5134300000e-01 -9.4055400000e-01  1.1512300000e-01 -7.8978200000e-01 -5.8553300000e-01  9.5805100000e-01 -1.2524540000e+00 -1.7548510000e+00 -9.8559100000e-01  7.2361100000e-01  9.3348900000e-01 -2.1861200000e-01  7.0266200000e-01  1.5057970000e+00 -1.2291970000e+00  1.6483820000e+00  8.9242300000e-01
+ENERGY -1.526591076590e+02
+FORCES -5.7182000000e-03 -2.1490000000e-04 -4.8150000000e-04  6.5759000000e-03 -3.7507000000e-03 -2.8879000000e-03 -4.5340000000e-04  2.1511000000e-03  2.9520000000e-03  2.9800000000e-03  5.7230000000e-03  1.7710000000e-03 -4.2326000000e-03 -3.2080000000e-04 -2.4167000000e-03  8.4840000000e-04 -3.5876000000e-03  1.0632000000e-03
+
+JOB 44
+COORDS  8.3601600000e-01 -3.5479000000e-02 -1.2748670000e+00  6.0227600000e-01  3.2293500000e-01 -2.1311020000e+00  1.1415330000e+00 -9.2319100000e-01 -1.4615730000e+00 -8.9655600000e-01  1.0666900000e-01  1.3306850000e+00 -8.2533900000e-01 -8.1718900000e-01  1.5707820000e+00  2.3900000000e-04  3.7116800000e-01  1.1256700000e+00
+ENERGY -1.526558454023e+02
+FORCES -1.9872000000e-03 -1.6737000000e-03 -4.8385000000e-03  1.5862000000e-03 -1.9291000000e-03  3.1904000000e-03 -1.2698000000e-03  3.6050000000e-03  1.3932000000e-03  5.9437000000e-03 -2.4833000000e-03 -4.5075000000e-03 -4.7530000000e-04  2.9215000000e-03 -4.7300000000e-04 -3.7976000000e-03 -4.4040000000e-04  5.2355000000e-03
+
+JOB 45
+COORDS -4.2925000000e-01 -6.5121100000e-01 -1.4032540000e+00 -1.1331890000e+00 -1.2649490000e+00 -1.1934270000e+00  1.4771700000e-01 -6.7772400000e-01 -6.3994600000e-01  4.8518300000e-01  6.5474400000e-01  1.3156500000e+00  4.9174500000e-01  1.6066820000e+00  1.4156640000e+00 -3.1836800000e-01  3.7303100000e-01  1.7528860000e+00
+ENERGY -1.526577052066e+02
+FORCES  1.7674000000e-03 -1.4870000000e-04  6.1007000000e-03  2.3097000000e-03  2.6343000000e-03  1.3600000000e-05 -3.7757000000e-03 -4.0423000000e-03 -5.8955000000e-03 -3.7572000000e-03  5.4995000000e-03  1.3703000000e-03 -1.7730000000e-04 -4.0845000000e-03  8.4690000000e-04  3.6330000000e-03  1.4170000000e-04 -2.4360000000e-03
+
+JOB 46
+COORDS -5.9334500000e-01  1.4498140000e+00 -4.3483000000e-01 -2.6343500000e-01  5.6465700000e-01 -2.8026800000e-01 -1.5336410000e+00  1.3882400000e+00 -2.6664900000e-01  6.1599600000e-01 -1.3457280000e+00  3.7788800000e-01  4.1049300000e-01 -1.4181000000e+00  1.3099630000e+00  1.0201180000e+00 -2.1844300000e+00  1.5540900000e-01
+ENERGY -1.526603971872e+02
+FORCES -1.5750000000e-04 -6.7267000000e-03  7.5570000000e-04 -4.2634000000e-03  8.4439000000e-03 -4.5100000000e-04  3.1875000000e-03  1.5310000000e-04 -1.0210000000e-04  2.6285000000e-03 -5.2093000000e-03  2.1563000000e-03  3.7680000000e-04  2.3190000000e-04 -4.7181000000e-03 -1.7719000000e-03  3.1072000000e-03  2.3592000000e-03
+
+JOB 47
+COORDS  3.7360600000e-01 -2.9154300000e-01  1.5446820000e+00  7.8699400000e-01 -1.1071640000e+00  1.8277100000e+00  4.3541600000e-01 -3.0997200000e-01  5.8965700000e-01 -3.6247400000e-01  3.9785500000e-01 -1.4820290000e+00 -8.2478000000e-02 -3.3162800000e-01 -2.0349200000e+00 -1.2691380000e+00  1.9213500000e-01 -1.2542750000e+00
+ENERGY -1.526589043664e+02
+FORCES  1.8034000000e-03 -6.6880000000e-04 -5.2680000000e-03 -1.6892000000e-03  2.8275000000e-03 -1.9780000000e-03  7.0650000000e-04 -3.9795000000e-03  8.5200000000e-03 -5.4561000000e-03 -1.1642000000e-03 -4.5634000000e-03 -6.6910000000e-04  2.7970000000e-03  4.4198000000e-03  5.3044000000e-03  1.8790000000e-04 -1.1304000000e-03
+
+JOB 48
+COORDS  7.3545000000e-02 -7.7129700000e-01 -1.4181540000e+00  5.1338200000e-01 -4.5824500000e-01 -6.2772800000e-01  4.7716700000e-01 -2.7475700000e-01 -2.1300320000e+00 -1.8716700000e-01  7.4597400000e-01  1.3954930000e+00  1.0265400000e-01 -1.6434000000e-01  1.4551910000e+00  5.7419900000e-01  1.2585410000e+00  1.6672090000e+00
+ENERGY -1.526534930415e+02
+FORCES  1.7668000000e-03  6.6583000000e-03  1.4696000000e-03  5.9250000000e-04 -5.3981000000e-03 -1.4818000000e-03 -1.3839000000e-03 -2.1812000000e-03  2.5998000000e-03  1.7668000000e-03 -1.1082000000e-03  4.2871000000e-03  5.8200000000e-04  4.8065000000e-03 -4.2414000000e-03 -3.3243000000e-03 -2.7774000000e-03 -2.6332000000e-03
+
+JOB 49
+COORDS  7.5916600000e-01 -1.4520110000e+00 -7.9509000000e-02  9.0440900000e-01 -1.6734570000e+00  8.4032700000e-01  1.2439560000e+00 -6.3696900000e-01 -2.0957600000e-01 -7.8710500000e-01  1.4555230000e+00  8.5503000000e-02 -6.2549000000e-01  5.1219500000e-01  6.9835000000e-02 -1.1045580000e+00  1.6592640000e+00 -7.9423900000e-01
+ENERGY -1.526589142299e+02
+FORCES  6.2592000000e-03 -3.5520000000e-04  3.3865000000e-03 -1.1705000000e-03  1.5073000000e-03 -4.4533000000e-03 -5.3760000000e-03 -3.5742000000e-03  7.0270000000e-04 -2.2600000000e-03 -4.9453000000e-03 -3.5942000000e-03  8.6180000000e-04  8.0228000000e-03  6.2930000000e-04  1.6855000000e-03 -6.5520000000e-04  3.3290000000e-03
+
+JOB 50
+COORDS -5.7163700000e-01 -1.2138320000e+00 -8.7008300000e-01  2.8012300000e-01 -1.5019980000e+00 -1.1982550000e+00 -1.1468680000e+00 -1.2464330000e+00 -1.6344650000e+00  5.4372300000e-01  1.3024670000e+00  9.4408700000e-01  1.1800560000e+00  7.6130700000e-01  1.4114820000e+00  7.3706000000e-02  6.8770300000e-01  3.8072100000e-01
+ENERGY -1.526598242073e+02
+FORCES -3.8100000000e-04 -3.4742000000e-03 -6.3113000000e-03 -3.8300000000e-03  2.0044000000e-03  2.1064000000e-03  3.0415000000e-03 -3.2550000000e-04  3.2231000000e-03 -1.6610000000e-03 -6.7539000000e-03 -1.5068000000e-03 -1.5675000000e-03  2.0012000000e-03 -1.8280000000e-03  4.3980000000e-03  6.5480000000e-03  4.3166000000e-03
+
+JOB 51
+COORDS -2.6865300000e-01  9.3469000000e-02 -1.5850900000e+00  6.5577500000e-01 -1.4808500000e-01 -1.5275000000e+00 -5.4063500000e-01 -2.0345400000e-01 -2.4534760000e+00  2.2000800000e-01  1.2040000000e-03  1.6579810000e+00 -4.3831400000e-01 -6.8478500000e-01  1.5472420000e+00  1.0310110000e+00 -3.8974800000e-01  1.3329220000e+00
+ENERGY -1.526527785792e+02
+FORCES  3.4024000000e-03 -7.2730000000e-04 -3.3179000000e-03 -3.6269000000e-03 -6.9100000000e-05  1.1070000000e-04  8.7130000000e-04  1.1824000000e-03  4.3583000000e-03 -1.4077000000e-03 -4.0332000000e-03 -4.0921000000e-03  3.1466000000e-03  1.9958000000e-03  2.2979000000e-03 -2.3857000000e-03  1.6513000000e-03  6.4300000000e-04
+
+JOB 52
+COORDS  5.1313100000e-01  1.5045610000e+00 -5.0254100000e-01  6.6055500000e-01  5.5897700000e-01 -5.2172700000e-01  6.2805500000e-01  1.7838440000e+00 -1.4108500000e+00 -4.9604000000e-01 -1.4342370000e+00  5.1216000000e-01 -1.3819070000e+00 -1.3344130000e+00  8.6073900000e-01 -1.4251100000e-01 -2.1968830000e+00  9.7000300000e-01
+ENERGY -1.526586365462e+02
+FORCES  2.0220000000e-04 -5.1105000000e-03 -2.2560000000e-03  2.1377000000e-03  7.3256000000e-03 -2.2817000000e-03 -5.4470000000e-04 -1.2456000000e-03  3.3083000000e-03 -3.8896000000e-03 -2.3859000000e-03  4.4351000000e-03  3.7043000000e-03 -1.8435000000e-03 -1.2240000000e-03 -1.6100000000e-03  3.2599000000e-03 -1.9817000000e-03
+
+JOB 53
+COORDS  4.2264300000e-01  1.3915700000e-01  1.5378690000e+00  9.3919200000e-01  1.0618900000e-01  2.3430530000e+00 -3.4989800000e-01  6.5477000000e-01  1.7692920000e+00 -4.2165400000e-01 -1.9968800000e-01 -1.6579710000e+00  2.5798200000e-01 -4.6009500000e-01 -1.0362680000e+00 -8.1658400000e-01  5.8062000000e-01 -1.2688930000e+00
+ENERGY -1.526577089722e+02
+FORCES -8.5830000000e-04  1.6797000000e-03  5.9856000000e-03 -2.6033000000e-03  3.0530000000e-04 -3.2761000000e-03  3.4911000000e-03 -1.7716000000e-03 -1.6949000000e-03  2.6193000000e-03  1.9587000000e-03  6.8063000000e-03 -2.6647000000e-03  3.5300000000e-05 -5.9626000000e-03  1.5900000000e-05 -2.2074000000e-03 -1.8583000000e-03
+
+JOB 54
+COORDS  1.2211350000e+00 -1.0038510000e+00 -5.8080900000e-01  1.6217490000e+00 -9.7896300000e-01 -1.4497850000e+00  7.2743100000e-01 -1.8600700000e-01 -5.2064000000e-01 -1.1684810000e+00  9.9145100000e-01  6.2416000000e-01 -1.4659750000e+00  4.7922100000e-01  1.3760570000e+00 -1.7953700000e+00  7.8594600000e-01 -6.9389000000e-02
+ENERGY -1.526589083959e+02
+FORCES -1.1754000000e-03  4.9859000000e-03 -1.1623000000e-03 -2.0720000000e-03  2.1730000000e-04  3.1168000000e-03  4.6132000000e-03 -5.9866000000e-03 -3.8377000000e-03 -5.9899000000e-03 -2.8069000000e-03  2.9303000000e-03  6.3880000000e-04  2.8221000000e-03 -3.4949000000e-03  3.9853000000e-03  7.6820000000e-04  2.4479000000e-03
+
+JOB 55
+COORDS -8.4684300000e-01 -9.6742100000e-01 -1.2349860000e+00  1.5428000000e-02 -1.0698560000e+00 -8.3221100000e-01 -1.3777140000e+00 -5.4312700000e-01 -5.6090700000e-01  7.6649500000e-01  9.3912700000e-01  1.1651370000e+00  1.4484540000e+00  9.1693700000e-01  4.9381700000e-01  1.2313380000e+00  1.1599110000e+00  1.9722350000e+00
+ENERGY -1.526567659632e+02
+FORCES  1.1469000000e-03  2.3115000000e-03  6.7481000000e-03 -1.8618000000e-03 -4.2500000000e-05 -3.5026000000e-03  5.1940000000e-04 -2.5928000000e-03 -4.0723000000e-03  5.3308000000e-03  2.6741000000e-03  1.5807000000e-03 -3.2766000000e-03 -1.4912000000e-03  2.9672000000e-03 -1.8586000000e-03 -8.5910000000e-04 -3.7210000000e-03
+
+JOB 56
+COORDS  1.2804520000e+00  9.7837700000e-01  7.6480700000e-01  1.6760700000e+00  1.0969300000e-01  8.3626900000e-01  1.2207580000e+00  1.1381480000e+00 -1.7707500000e-01 -1.2723100000e+00 -9.3437600000e-01 -7.8293700000e-01 -1.6434720000e+00 -2.3810900000e-01 -2.4101300000e-01 -1.3507510000e+00 -1.7234290000e+00 -2.4677100000e-01
+ENERGY -1.526564421810e+02
+FORCES  1.0699000000e-03 -4.2509000000e-03 -5.1445000000e-03 -9.4070000000e-04  3.5626000000e-03  7.4280000000e-04  7.4190000000e-04  7.9630000000e-04  4.3475000000e-03 -2.1637000000e-03  2.3610000000e-04  5.5723000000e-03  7.0230000000e-04 -3.2871000000e-03 -3.2526000000e-03  5.9010000000e-04  2.9429000000e-03 -2.2655000000e-03
+
+JOB 57
+COORDS  2.5610400000e-01  1.2738210000e+00  1.2706730000e+00  1.0100630000e+00  7.7930300000e-01  9.4937900000e-01  5.0319400000e-01  2.1911380000e+00  1.1535890000e+00 -3.4894100000e-01 -1.2943920000e+00 -1.2926880000e+00 -5.7158900000e-01 -1.7603120000e+00 -4.8672400000e-01  5.2804800000e-01 -9.4534800000e-01 -1.1336610000e+00
+ENERGY -1.526527058430e+02
+FORCES  3.5315000000e-03  2.8634000000e-03 -2.0157000000e-03 -3.1324000000e-03  6.9750000000e-04  5.7610000000e-04 -8.8640000000e-04 -4.0021000000e-03  6.1140000000e-04  1.3431000000e-03  5.4010000000e-04  4.8675000000e-03  1.5586000000e-03  1.1532000000e-03 -3.8113000000e-03 -2.4143000000e-03 -1.2521000000e-03 -2.2790000000e-04
+
+JOB 58
+COORDS  8.5096600000e-01 -1.3501290000e+00 -1.1286170000e+00  1.4535300000e-01 -1.9565080000e+00 -9.0356700000e-01  1.3552250000e+00 -1.2580590000e+00 -3.2023700000e-01 -8.8533400000e-01  1.3322570000e+00  1.1059330000e+00 -1.0026070000e+00  2.2711120000e+00  9.6091300000e-01 -3.3368000000e-02  1.1339630000e+00  7.1726000000e-01
+ENERGY -1.526551705625e+02
+FORCES -1.5646000000e-03 -3.7946000000e-03  3.7406000000e-03  3.5510000000e-03  2.2605000000e-03 -1.1868000000e-03 -2.3492000000e-03  1.2199000000e-03 -3.2841000000e-03  2.7940000000e-03  3.1994000000e-03 -3.5009000000e-03  4.6940000000e-04 -3.7183000000e-03  7.6970000000e-04 -2.9006000000e-03  8.3310000000e-04  3.4615000000e-03
+
+JOB 59
+COORDS -9.2874600000e-01  1.7237070000e+00 -2.5898100000e-01 -9.1875800000e-01  2.5640180000e+00  1.9928600000e-01 -1.4060240000e+00  1.1363870000e+00  3.2710100000e-01  9.8269300000e-01 -1.7103740000e+00  2.4608400000e-01  6.6648800000e-01 -2.6128980000e+00  2.0489100000e-01  8.0541200000e-01 -1.3540030000e+00 -6.2443500000e-01
+ENERGY -1.526555642986e+02
+FORCES -1.3735000000e-03  1.0755000000e-03  5.2020000000e-03 -3.2030000000e-04 -3.2559000000e-03 -1.8893000000e-03  1.2246000000e-03  2.7968000000e-03 -3.0518000000e-03 -1.2345000000e-03 -1.5610000000e-03 -4.4583000000e-03  9.9160000000e-04  3.8026000000e-03  3.4110000000e-04  7.1220000000e-04 -2.8580000000e-03  3.8564000000e-03
+
+JOB 60
+COORDS  1.7957100000e-01  1.2033090000e+00 -1.5602450000e+00 -5.5437200000e-01  6.8995500000e-01 -1.8979250000e+00 -1.1933300000e-01  2.1112480000e+00 -1.6105880000e+00 -1.3814700000e-01 -1.2506630000e+00  1.6341580000e+00  2.7279300000e-01 -1.6817710000e+00  8.8482100000e-01 -2.0940700000e-01 -3.3243600000e-01  1.3733630000e+00
+ENERGY -1.526563528177e+02
+FORCES -4.0020000000e-03  2.7664000000e-03 -3.3857000000e-03  3.3507000000e-03  1.9013000000e-03  2.1996000000e-03  1.1282000000e-03 -4.0408000000e-03  3.8280000000e-04  2.5170000000e-03  2.9508000000e-03 -4.7137000000e-03 -2.1543000000e-03  7.5880000000e-04  3.1064000000e-03 -8.3950000000e-04 -4.3366000000e-03  2.4106000000e-03
+
+JOB 61
+COORDS  4.6962300000e-01 -1.6531840000e+00 -1.0609080000e+00  8.3267000000e-01 -1.4304800000e+00 -2.0368400000e-01  1.1893620000e+00 -1.5008470000e+00 -1.6732810000e+00 -4.8894900000e-01  1.5933880000e+00  1.0884740000e+00 -7.3276600000e-01  2.5179340000e+00  1.1332100000e+00 -9.4222400000e-01  1.2629190000e+00  3.1286800000e-01
+ENERGY -1.526564556006e+02
+FORCES  5.2199000000e-03  1.0272000000e-03  1.5150000000e-03 -1.7675000000e-03 -1.4091000000e-03 -4.3459000000e-03 -3.0331000000e-03 -6.2670000000e-04  2.3125000000e-03 -3.4504000000e-03  2.4776000000e-03 -3.1433000000e-03  9.4420000000e-04 -3.6767000000e-03 -3.1160000000e-04  2.0869000000e-03  2.2076000000e-03  3.9733000000e-03
+
+JOB 62
+COORDS -2.5506200000e-01  1.3693660000e+00 -1.6628790000e+00  2.4351900000e-01  7.5375700000e-01 -2.2001630000e+00 -9.1463000000e-02  1.0890860000e+00 -7.6237400000e-01  1.5977100000e-01 -1.3171550000e+00  1.6605500000e+00  7.6476000000e-01 -6.1687100000e-01  1.4159650000e+00  6.7825600000e-01 -2.1184850000e+00  1.5879130000e+00
+ENERGY -1.526535201096e+02
+FORCES  1.5492000000e-03 -4.2826000000e-03  1.4414000000e-03 -1.6555000000e-03  2.7417000000e-03  2.2880000000e-03  8.1940000000e-04  1.7226000000e-03 -3.4502000000e-03  4.9233000000e-03 -1.5777000000e-03  3.4900000000e-05 -3.4066000000e-03 -2.1937000000e-03 -5.3980000000e-04 -2.2298000000e-03  3.5897000000e-03  2.2570000000e-04
+
+JOB 63
+COORDS  1.5095700000e-01 -1.7272250000e+00  1.4815470000e+00 -5.6500800000e-01 -1.2182970000e+00  1.1012600000e+00  9.3068400000e-01 -1.4339270000e+00  1.0101290000e+00 -1.4785300000e-01  1.6260700000e+00 -1.4027440000e+00  5.5338800000e-01  2.0579920000e+00 -1.8905320000e+00 -8.9748000000e-01  2.2151800000e+00 -1.4878320000e+00
+ENERGY -1.526559380761e+02
+FORCES  1.9440000000e-04  4.2377000000e-03 -4.3451000000e-03  2.2512000000e-03 -2.8420000000e-03  2.3822000000e-03 -2.4532000000e-03 -1.9022000000e-03  2.3847000000e-03 -1.9400000000e-04  4.8223000000e-03 -2.8537000000e-03 -2.9182000000e-03 -1.7964000000e-03  2.0536000000e-03  3.1198000000e-03 -2.5194000000e-03  3.7820000000e-04
+
+JOB 64
+COORDS  4.0765500000e-01  1.1023150000e+00 -1.8276870000e+00  1.0146650000e+00  1.8210990000e+00 -2.0040950000e+00  3.2041000000e-01  6.5042000000e-01 -2.6669790000e+00 -4.9008800000e-01 -1.0951000000e+00  1.9153260000e+00  1.0331000000e-01 -1.7443680000e+00  2.2928990000e+00 -1.0742200000e-01 -8.8726400000e-01  1.0629160000e+00
+ENERGY -1.526556844708e+02
+FORCES  1.8937000000e-03  2.1406000000e-03 -4.7689000000e-03 -2.4540000000e-03 -3.1610000000e-03  5.3520000000e-04  5.6130000000e-04  1.7038000000e-03  3.6791000000e-03  3.9456000000e-03 -9.0580000000e-04 -2.7529000000e-03 -2.3156000000e-03  2.4567000000e-03 -1.4128000000e-03 -1.6310000000e-03 -2.2343000000e-03  4.7203000000e-03
+
+JOB 65
+COORDS  6.0284400000e-01  1.2185750000e+00 -1.8167550000e+00  1.4908780000e+00  8.6211500000e-01 -1.7929890000e+00  6.8292000000e-01  2.0885730000e+00 -1.4257020000e+00 -6.2324500000e-01 -1.2118930000e+00  1.8356730000e+00 -4.1908500000e-01 -2.0892400000e+00  1.5119260000e+00 -1.4412260000e+00 -9.7844700000e-01  1.3967650000e+00
+ENERGY -1.526546550154e+02
+FORCES  4.2029000000e-03  2.0300000000e-03  2.4605000000e-03 -3.5300000000e-03  1.4464000000e-03 -5.4470000000e-04 -4.0420000000e-04 -3.3519000000e-03 -1.9179000000e-03 -2.5947000000e-03 -2.2289000000e-03 -3.9965000000e-03 -6.7360000000e-04  3.3303000000e-03  1.5535000000e-03  2.9996000000e-03 -1.2259000000e-03  2.4452000000e-03
+
+JOB 66
+COORDS  6.2647200000e-01 -7.0823700000e-01 -2.0413710000e+00 -9.1201000000e-02 -1.3258620000e+00 -1.9009580000e+00  1.0415830000e+00 -1.0029420000e+00 -2.8519660000e+00 -6.3768700000e-01  7.8715600000e-01  2.1313630000e+00 -1.0026270000e+00  1.3086900000e-01  1.5377830000e+00  2.4192800000e-01  9.5423000000e-01  1.7928430000e+00
+ENERGY -1.526549874464e+02
+FORCES -8.7510000000e-04 -3.8158000000e-03 -3.8185000000e-03  2.8720000000e-03  2.7799000000e-03  1.3420000000e-04 -1.8187000000e-03  1.1244000000e-03  3.3738000000e-03  2.6329000000e-03 -1.7701000000e-03 -4.6095000000e-03  8.3840000000e-04  2.1910000000e-03  2.7056000000e-03 -3.6495000000e-03 -5.0940000000e-04  2.2143000000e-03
+
+JOB 67
+COORDS  1.1154080000e+00  1.9870840000e+00 -8.1068800000e-01  1.7049600000e+00  1.2572710000e+00 -1.0005110000e+00  3.5789500000e-01  1.5804670000e+00 -3.8989100000e-01 -1.1451160000e+00 -1.9094430000e+00  8.4801600000e-01 -3.8167000000e-01 -2.4827840000e+00  9.1629300000e-01 -1.1871120000e+00 -1.6751110000e+00 -7.9107000000e-02
+ENERGY -1.526541816639e+02
+FORCES -6.5680000000e-04 -4.2940000000e-03  1.7048000000e-03 -2.5457000000e-03  2.7418000000e-03  5.0920000000e-04  3.2381000000e-03  1.5946000000e-03 -2.6139000000e-03  2.2593000000e-03 -2.7274000000e-03 -3.2247000000e-03 -3.0805000000e-03  2.7794000000e-03 -4.6580000000e-04  7.8560000000e-04 -9.4400000000e-05  4.0905000000e-03
+
+JOB 68
+COORDS  3.0517600000e-01 -2.2721400000e-01  2.5925880000e+00  6.8677700000e-01 -7.7230000000e-03  1.7426250000e+00  7.7632400000e-01  3.2460800000e-01  3.2168820000e+00 -3.3771200000e-01  1.6389400000e-01 -2.5180250000e+00 -5.8427000000e-02 -2.2667100000e-01 -3.3460900000e+00 -9.4394900000e-01  8.5934200000e-01 -2.7730960000e+00
+ENERGY -1.526547999229e+02
+FORCES  3.3390000000e-03  2.9968000000e-03 -1.6566000000e-03 -1.2539000000e-03 -7.5790000000e-04  4.3451000000e-03 -1.9011000000e-03 -2.1778000000e-03 -2.4030000000e-03 -1.7507000000e-03  1.0049000000e-03 -4.6627000000e-03 -1.0944000000e-03  1.7065000000e-03  3.3779000000e-03  2.6610000000e-03 -2.7727000000e-03  9.9920000000e-04
+
+JOB 69
+COORDS  6.7354900000e-01 -2.0255370000e+00 -1.5571660000e+00  3.9792100000e-01 -2.8878560000e+00 -1.2462530000e+00  1.6275210000e+00 -2.0832700000e+00 -1.6104240000e+00 -6.9332300000e-01  2.0221840000e+00  1.5535560000e+00 -1.1345200000e-01  2.7576380000e+00  1.3558490000e+00 -1.5735480000e+00  2.3975250000e+00  1.5300140000e+00
+ENERGY -1.526535387088e+02
+FORCES  2.6612000000e-03 -3.4862000000e-03  1.6560000000e-03  1.1298000000e-03  3.3619000000e-03 -1.4864000000e-03 -3.8084000000e-03  1.9040000000e-04  4.3000000000e-06 -1.2300000000e-03  4.2629000000e-03 -1.4818000000e-03 -2.3027000000e-03 -2.8775000000e-03  1.0130000000e-03  3.5501000000e-03 -1.4516000000e-03  2.9480000000e-04
+
+JOB 70
+COORDS  3.9961400000e-01  1.1085500000e+00 -2.4659670000e+00  1.0701520000e+00  5.1054500000e-01 -2.7961190000e+00  5.9654800000e-01  1.9456220000e+00 -2.8863950000e+00 -4.5772700000e-01 -1.1884150000e+00  2.4744600000e+00 -1.0354410000e+00 -8.2953400000e-01  3.1480190000e+00  2.3060600000e-01 -5.3096800000e-01  2.3735010000e+00
+ENERGY -1.526540661755e+02
+FORCES  3.3754000000e-03  6.5860000000e-04 -3.2918000000e-03 -2.6340000000e-03  2.6336000000e-03  1.3804000000e-03 -7.9370000000e-04 -3.3767000000e-03  1.8444000000e-03  2.8630000000e-04  4.5073000000e-03  1.7480000000e-03  2.3557000000e-03 -1.5394000000e-03 -2.5559000000e-03 -2.5896000000e-03 -2.8833000000e-03  8.7490000000e-04
+
+JOB 71
+COORDS  8.8863200000e-01  2.6871310000e+00  3.8779900000e-01  1.6878590000e+00  2.8188270000e+00  8.9782200000e-01  2.2562100000e-01  3.2069680000e+00  8.4213100000e-01 -9.3032000000e-01 -2.7076770000e+00 -5.0332400000e-01  1.3993000000e-02 -2.6919020000e+00 -3.4757800000e-01 -1.3013650000e+00 -3.0572090000e+00  3.0685200000e-01
+ENERGY -1.526538640474e+02
+FORCES  2.8230000000e-04  2.7767000000e-03  3.7855000000e-03 -3.2255000000e-03 -6.9890000000e-04 -2.0639000000e-03  2.8269000000e-03 -2.0786000000e-03 -1.7693000000e-03  2.5462000000e-03 -8.0750000000e-04  3.9006000000e-03 -3.8555000000e-03 -5.0180000000e-04 -5.9010000000e-04  1.4255000000e-03  1.3100000000e-03 -3.2627000000e-03
+
+JOB 72
+COORDS -2.3357000000e-01 -2.9294490000e+00  3.0481600000e-01 -1.1414460000e+00 -2.6292080000e+00  2.6182100000e-01 -1.2983000000e-01 -3.4908820000e+00 -4.6347000000e-01  3.0931600000e-01  2.9543030000e+00 -1.9291700000e-01 -1.1447500000e-01  3.6079710000e+00 -7.4911200000e-01  2.5483900000e-01  2.1408260000e+00 -6.9443400000e-01
+ENERGY -1.526540211094e+02
+FORCES -3.3430000000e-03 -1.4148000000e-03 -2.9529000000e-03  3.8145000000e-03 -1.0859000000e-03 -5.6500000000e-05 -4.2220000000e-04  2.4708000000e-03  3.0752000000e-03 -1.6841000000e-03 -8.6850000000e-04 -4.1944000000e-03  1.6625000000e-03 -2.6866000000e-03  2.2623000000e-03 -2.7600000000e-05  3.5850000000e-03  1.8663000000e-03
+
+JOB 73
+COORDS -4.4346000000e-01 -4.7071000000e-02 -2.9335880000e+00 -3.0328300000e-01 -4.8854400000e-01 -3.7712540000e+00 -7.5676700000e-01 -7.3667900000e-01 -2.3483430000e+00  4.1894100000e-01  6.4851000000e-02  2.9921450000e+00  8.1780900000e-01 -2.2626100000e-01  2.1721510000e+00  6.0374600000e-01  1.0033180000e+00  3.0290110000e+00
+ENERGY -1.526544196761e+02
+FORCES -1.0439000000e-03 -4.6394000000e-03 -1.3490000000e-03 -5.3140000000e-04  1.7993000000e-03  3.4775000000e-03  1.6025000000e-03  2.8868000000e-03 -2.2371000000e-03  2.4624000000e-03  2.9427000000e-03 -3.2761000000e-03 -1.7519000000e-03  8.8430000000e-04  3.3818000000e-03 -7.3770000000e-04 -3.8737000000e-03  2.9000000000e-06
+
+JOB 74
+COORDS  1.5142300000e-01 -3.1020100000e-01  2.9377370000e+00 -7.6288900000e-01 -4.6515900000e-01  2.7005580000e+00  1.2320700000e-01 -8.4344000000e-02  3.8674810000e+00 -8.4198000000e-02  3.6857700000e-01 -3.0000910000e+00 -9.1253800000e-01 -5.9490000000e-02 -2.7836570000e+00  5.7761600000e-01 -3.1118900000e-01 -2.8730050000e+00
+ENERGY -1.526540242791e+02
+FORCES -3.8052000000e-03  6.0020000000e-04  2.9171000000e-03  3.7129000000e-03  4.3090000000e-04  8.5910000000e-04  9.4000000000e-05 -9.9010000000e-04 -3.7942000000e-03 -3.8120000000e-04 -4.4970000000e-03  1.7093000000e-03  3.1944000000e-03  1.7459000000e-03 -9.0780000000e-04 -2.8150000000e-03  2.7101000000e-03 -7.8340000000e-04
+
+JOB 75
+COORDS  4.6195000000e-02  2.4900250000e+00  2.4412520000e+00  1.3927400000e-01  2.8146520000e+00  3.3369000000e+00  2.5544000000e-02  1.5373800000e+00  2.5322030000e+00  7.3010000000e-03 -2.4317140000e+00 -2.4810920000e+00 -7.1909400000e-01 -2.4687380000e+00 -1.8588280000e+00 -3.4832300000e-01 -2.8049630000e+00 -3.2875960000e+00
+ENERGY -1.526539698355e+02
+FORCES  5.0490000000e-04 -2.5955000000e-03  3.9283000000e-03 -4.2720000000e-04 -1.3152000000e-03 -3.6450000000e-03 -9.3500000000e-05  3.8827000000e-03 -2.9230000000e-04 -4.4542000000e-03 -1.5189000000e-03 -9.0890000000e-04  3.0118000000e-03  7.9000000000e-05 -2.3985000000e-03  1.4582000000e-03  1.4681000000e-03  3.3165000000e-03
+
+JOB 76
+COORDS  1.8717100000e-01  1.3375220000e+00 -3.3826300000e+00 -1.5843300000e-01  5.5371700000e-01 -3.8097580000e+00 -1.9503300000e-01  1.3209780000e+00 -2.5052030000e+00 -1.7154700000e-01 -1.3148770000e+00  3.2919680000e+00  3.1517600000e-01 -5.0424800000e-01  3.4410080000e+00 -2.3320000000e-01 -1.7202620000e+00  4.1568920000e+00
+ENERGY -1.526543714080e+02
+FORCES -2.9999000000e-03 -3.4435000000e-03  1.9501000000e-03  1.4089000000e-03  3.2405000000e-03  1.6227000000e-03  1.5941000000e-03  2.4630000000e-04 -3.6260000000e-03  1.8208000000e-03  1.5547000000e-03  4.3021000000e-03 -2.0655000000e-03 -3.2728000000e-03 -7.1210000000e-04  2.4160000000e-04  1.6748000000e-03 -3.5368000000e-03
+
+JOB 77
+COORDS  1.5289670000e+00 -2.4365620000e+00  2.3221160000e+00  1.9840860000e+00 -3.0848590000e+00  2.8595250000e+00  9.7352000000e-01 -2.9548630000e+00  1.7398140000e+00 -1.5782100000e+00  2.5234740000e+00 -2.3483400000e+00 -1.4817690000e+00  2.0787520000e+00 -1.5062280000e+00 -6.8782400000e-01  2.5749950000e+00 -2.6958870000e+00
+ENERGY -1.526543421956e+02
+FORCES -3.4190000000e-04 -4.9086000000e-03 -1.6100000000e-05 -1.8681000000e-03  2.6467000000e-03 -2.2270000000e-03  2.2477000000e-03  2.2472000000e-03  2.2991000000e-03  4.1249000000e-03 -1.5521000000e-03  2.1706000000e-03 -5.0420000000e-04  1.7775000000e-03 -3.5384000000e-03 -3.6584000000e-03 -2.1070000000e-04  1.3118000000e-03
+
+JOB 78
+COORDS -8.5663400000e-01  1.6504860000e+00 -3.4537630000e+00 -8.7049600000e-01  1.5706210000e+00 -2.5000010000e+00 -6.0924600000e-01  2.5610390000e+00 -3.6147720000e+00  8.6644600000e-01 -1.6707860000e+00  3.3639050000e+00  1.2910300000e-01 -1.3526170000e+00  3.8847950000e+00  1.1290260000e+00 -2.4855270000e+00  3.7922500000e+00
+ENERGY -1.526542031126e+02
+FORCES  1.1054000000e-03  3.2531000000e-03  3.3673000000e-03 -8.1800000000e-05  4.4880000000e-04 -3.9805000000e-03 -1.0515000000e-03 -3.6619000000e-03  6.0670000000e-04 -1.8779000000e-03 -2.1888000000e-03  3.9053000000e-03  2.9925000000e-03 -1.2110000000e-03 -2.1823000000e-03 -1.0867000000e-03  3.3598000000e-03 -1.7164000000e-03
+
+JOB 79
+COORDS -3.2570060000e+00 -4.8764000000e-01 -2.2249310000e+00 -2.7298860000e+00  5.6842000000e-02 -1.6401970000e+00 -2.8220130000e+00 -1.3402440000e+00 -2.2160060000e+00  3.2141180000e+00  4.9207000000e-01  2.1261570000e+00  3.2545180000e+00 -1.7983300000e-01  2.8067060000e+00  3.0401060000e+00  1.3046500000e+00  2.6011990000e+00
+ENERGY -1.526542978257e+02
+FORCES  4.1144000000e-03 -1.2315000000e-03  2.3927000000e-03 -2.2956000000e-03 -2.1912000000e-03 -2.3556000000e-03 -1.8748000000e-03  3.4145000000e-03 -4.2000000000e-05 -3.0410000000e-04  6.3490000000e-04  4.8163000000e-03 -2.5660000000e-04  2.7267000000e-03 -2.8285000000e-03  6.1670000000e-04 -3.3534000000e-03 -1.9828000000e-03
+
+JOB 80
+COORDS -1.3717700000e-01  5.0886050000e+00 -1.3319430000e+00 -2.9973700000e-01  5.9710830000e+00 -1.6651660000e+00 -9.8207900000e-01  4.6448260000e+00 -1.4056530000e+00  2.0038500000e-01 -5.1538430000e+00  1.4046960000e+00 -5.9964400000e-01 -4.7545460000e+00  1.0630120000e+00  8.9768600000e-01 -4.8096590000e+00  8.4653900000e-01
+ENERGY -1.526540942196e+02
+FORCES -4.1061000000e-03  1.8743000000e-03 -1.6377000000e-03  6.5680000000e-04 -3.6219000000e-03  1.3506000000e-03  3.4566000000e-03  1.7508000000e-03  2.9080000000e-04 -3.6960000000e-04  3.0815000000e-03 -3.6564000000e-03  3.2286000000e-03 -1.6463000000e-03  1.3874000000e-03 -2.8662000000e-03 -1.4384000000e-03  2.2654000000e-03
+
+JOB 81
+COORDS -9.9572400000e-01 -5.2077090000e+00 -2.1784930000e+00 -3.3300400000e-01 -4.5267980000e+00 -2.0627570000e+00 -1.7417030000e+00 -4.9072600000e+00 -1.6593800000e+00  9.8327700000e-01  5.1138090000e+00  2.1862270000e+00  3.8866000000e-01  5.6734640000e+00  1.6867790000e+00  1.8546560000e+00  5.3372210000e+00  1.8590920000e+00
+ENERGY -1.526541429588e+02
+FORCES -3.3440000000e-04  4.0178000000e-03  2.6407000000e-03 -2.6954000000e-03 -2.7861000000e-03 -5.0820000000e-04  3.0282000000e-03 -1.2387000000e-03 -2.1419000000e-03  1.1480000000e-03  3.2711000000e-03 -3.3293000000e-03  2.4183000000e-03 -2.3196000000e-03  2.0215000000e-03 -3.5647000000e-03 -9.4440000000e-04  1.3172000000e-03
+
+JOB 82
+COORDS  6.2476700000e-01  3.6025200000e+00 -4.9300940000e+00  6.2172400000e-01  2.6495100000e+00 -5.0195010000e+00  5.6421400000e-01  3.9280130000e+00 -5.8282140000e+00 -5.7284200000e-01 -3.5951970000e+00  4.9581140000e+00 -8.6039700000e-01 -2.6938870000e+00  4.8125660000e+00 -1.2432600000e+00 -3.9719180000e+00  5.5280710000e+00
+ENERGY -1.526541069981e+02
+FORCES -2.2990000000e-04 -2.5762000000e-03 -4.0331000000e-03 -5.7000000000e-06  3.8989000000e-03  3.6460000000e-04  2.3700000000e-04 -1.3208000000e-03  3.6640000000e-03 -3.8968000000e-03  2.1734000000e-03  1.7382000000e-03  1.1642000000e-03 -3.6981000000e-03  5.9390000000e-04  2.7313000000e-03  1.5229000000e-03 -2.3276000000e-03
+
+JOB 83
+COORDS -6.1986030000e+00  1.2866120000e+00  1.4442780000e+00 -5.9947770000e+00  3.5717600000e-01  1.3401850000e+00 -6.9117540000e+00  1.4465980000e+00  8.2617400000e-01  6.1893040000e+00 -1.3002240000e+00 -1.4355580000e+00  6.7077770000e+00 -6.4099200000e-01 -1.8968930000e+00  6.2918160000e+00 -1.0811840000e+00 -5.0941300000e-01
+ENERGY -1.526541057662e+02
+FORCES -2.0581000000e-03 -3.1552000000e-03 -2.9651000000e-03 -8.4550000000e-04  3.7971000000e-03  4.3740000000e-04  2.8993000000e-03 -6.4330000000e-04  2.5272000000e-03  2.5223000000e-03  3.6046000000e-03  1.9086000000e-03 -2.1084000000e-03 -2.6970000000e-03  1.8735000000e-03 -4.0960000000e-04 -9.0620000000e-04 -3.7816000000e-03
+
+JOB 84
+COORDS  1.3950890000e+00 -6.8828400000e+00  1.4147780000e+00  2.2827670000e+00 -6.6332250000e+00  1.6715910000e+00  1.1526030000e+00 -7.5743650000e+00  2.0305900000e+00 -1.4756530000e+00  6.8631390000e+00 -1.4341160000e+00 -5.4760500000e-01  6.9133580000e+00 -1.2051250000e+00 -1.5922840000e+00  7.5299710000e+00 -2.1108460000e+00
+ENERGY -1.526540438494e+02
+FORCES  2.6127000000e-03 -1.7856000000e-03  3.5656000000e-03 -3.6120000000e-03 -1.0251000000e-03 -1.0508000000e-03  9.9770000000e-04  2.8140000000e-03 -2.5145000000e-03  3.3102000000e-03  2.8961000000e-03 -1.8373000000e-03 -3.7844000000e-03 -1.8930000000e-04 -9.2850000000e-04  4.7590000000e-04 -2.7102000000e-03  2.7655000000e-03
+
+JOB 85
+COORDS -3.6820670000e+00  5.7031440000e+00  3.0967480000e+00 -3.3083130000e+00  5.0439590000e+00  2.5119270000e+00 -4.5688510000e+00  5.8433310000e+00  2.7647960000e+00  3.6852120000e+00 -5.7161850000e+00 -3.0947710000e+00  3.5962500000e+00 -4.7632610000e+00 -3.0788640000e+00  4.1604080000e+00 -5.9263060000e+00 -2.2908610000e+00
+ENERGY -1.526540727218e+02
+FORCES -2.1174000000e-03 -2.1055000000e-03 -3.7372000000e-03 -1.5065000000e-03  2.6818000000e-03  2.3859000000e-03  3.6261000000e-03 -5.7590000000e-04  1.3524000000e-03  1.6012000000e-03  3.0164000000e-03  3.3450000000e-03  3.4520000000e-04 -3.8802000000e-03 -6.5500000000e-05 -1.9486000000e-03  8.6340000000e-04 -3.2807000000e-03
+
+JOB 86
+COORDS  5.6601070000e+00  4.3029500000e+00 -5.0806490000e+00  4.8837460000e+00  4.5913230000e+00 -5.5605820000e+00  6.3042910000e+00  4.9954490000e+00 -5.2279730000e+00 -5.6521580000e+00 -4.4014440000e+00  5.1661200000e+00 -6.3791490000e+00 -3.8662150000e+00  4.8479260000e+00 -4.9201980000e+00 -4.1782890000e+00  4.5910820000e+00
+ENERGY -1.526540841764e+02
+FORCES -5.2120000000e-04  4.0055000000e-03 -2.5659000000e-03  3.1572000000e-03 -1.1807000000e-03  1.9636000000e-03 -2.6343000000e-03 -2.8249000000e-03  6.0230000000e-04  3.6200000000e-05  3.0943000000e-03 -3.6470000000e-03  2.9576000000e-03 -2.1834000000e-03  1.2999000000e-03 -2.9955000000e-03 -9.1070000000e-04  2.3470000000e-03
+
+JOB 87
+COORDS -9.4037450000e+00 -8.6722600000e-01  2.7334590000e+00 -8.9495670000e+00 -1.6496010000e+00  2.4206580000e+00 -1.0333232000e+01 -1.0751430000e+00  2.6382970000e+00  9.4417970000e+00  8.5389700000e-01 -2.6796220000e+00  9.8480010000e+00  1.1875260000e+00 -3.4795730000e+00  8.8275640000e+00  1.5399220000e+00 -2.4182420000e+00
+ENERGY -1.526540820076e+02
+FORCES -1.9365000000e-03 -4.0457000000e-03 -1.6596000000e-03 -1.8544000000e-03  3.1945000000e-03  1.2734000000e-03  3.7904000000e-03  8.5090000000e-04  3.8640000000e-04 -8.5230000000e-04  4.1644000000e-03 -2.1911000000e-03 -1.6552000000e-03 -1.3637000000e-03  3.2606000000e-03  2.5081000000e-03 -2.8004000000e-03 -1.0697000000e-03
+
+JOB 88
+COORDS  8.9965190000e+00 -5.1061430000e+00  1.2696890000e+00  8.6509040000e+00 -5.7392730000e+00  6.4046000000e-01  9.9066100000e+00 -4.9754950000e+00  1.0034230000e+00 -9.0677320000e+00  5.0915330000e+00 -1.1851200000e+00 -8.3428220000e+00  5.6332380000e+00 -8.7320200000e-01 -9.0870840000e+00  5.2379340000e+00 -2.1308600000e+00
+ENERGY -1.526540736373e+02
+FORCES  2.3010000000e-03 -2.0564000000e-03 -3.6486000000e-03  1.4114000000e-03  2.5859000000e-03  2.5644000000e-03 -3.7125000000e-03 -5.2980000000e-04  1.0844000000e-03  2.8854000000e-03  2.8037000000e-03 -2.5792000000e-03 -2.9610000000e-03 -2.2069000000e-03 -1.2762000000e-03  7.5700000000e-05 -5.9660000000e-04  3.8552000000e-03
+
+JOB 89
+COORDS  1.0158095000e+01 -2.6113370000e+00  1.5182530000e+00  1.0388079000e+01 -2.8153180000e+00  2.4247470000e+00  9.6527850000e+00 -1.8004020000e+00  1.5755210000e+00 -1.0136966000e+01  2.5356030000e+00 -1.6082280000e+00 -1.0500921000e+01  2.4790400000e+00 -7.2473000000e-01 -9.9065200000e+00  3.4585840000e+00 -1.7142130000e+00
+ENERGY -1.526540672354e+02
+FORCES -1.1283000000e-03  2.4722000000e-03  3.9275000000e-03 -9.3640000000e-04  8.3400000000e-04 -3.6965000000e-03  2.0642000000e-03 -3.3059000000e-03 -2.3080000000e-04 -5.4920000000e-04  3.5327000000e-03  3.1664000000e-03  1.4875000000e-03  2.3180000000e-04 -3.6021000000e-03 -9.3780000000e-04 -3.7649000000e-03  4.3550000000e-04
+
+JOB 0
+COORDS -1.7379000000e-02 -3.5221000000e-01  1.2339910000e+00  7.3173500000e-01  1.5143800000e-01  1.5524240000e+00  3.4931800000e-01 -1.2041400000e+00  9.9739200000e-01 -1.0334200000e-01  3.7150600000e-01 -1.2843150000e+00 -1.2733900000e-01  2.4740600000e-01 -3.3549800000e-01  8.2003100000e-01  5.2726000000e-01 -1.4826970000e+00
+ENERGY -1.526562766396e+02
+FORCES  2.9600000000e-03 -7.0740000000e-04 -7.9564000000e-03 -3.9162000000e-03 -2.3550000000e-03 -5.5801000000e-03 -1.1359000000e-03  6.6688000000e-03 -1.9800000000e-05  7.1120000000e-04 -4.0340000000e-03  2.0341600000e-02  3.5570000000e-03  1.7491000000e-03 -9.6886000000e-03 -2.1762000000e-03 -1.3215000000e-03  2.9032000000e-03
+
+JOB 1
+COORDS  2.1183300000e-01 -1.3708500000e-01  1.3497820000e+00  7.2738300000e-01 -9.1130300000e-01  1.1238900000e+00  7.0000000000e-03  2.6896700000e-01  5.0752500000e-01 -1.9917000000e-01  1.5760500000e-01 -1.2311250000e+00 -9.5495400000e-01 -3.7308400000e-01 -1.4829040000e+00 -6.6619000000e-02  7.5204100000e-01 -1.9695740000e+00
+ENERGY -1.526586280963e+02
+FORCES  2.6830000000e-04  8.9410000000e-04 -1.8360300000e-02 -1.5108000000e-03  8.2110000000e-04  1.6165000000e-03 -9.4430000000e-04  1.0600000000e-05  6.4073000000e-03 -7.3700000000e-04 -1.1300000000e-03  6.5901000000e-03  4.4500000000e-03  3.2536000000e-03  3.0260000000e-04 -1.5262000000e-03 -3.8494000000e-03  3.4437000000e-03
+
+JOB 2
+COORDS  2.1412700000e-01 -1.1148400000e+00  5.3769200000e-01 -3.4785800000e-01 -1.3477100000e+00  1.2767290000e+00  9.1415000000e-01 -1.7674880000e+00  5.5352900000e-01 -2.2968500000e-01  1.1867170000e+00 -6.3484700000e-01 -6.3632000000e-02  2.7264400000e-01 -4.0434800000e-01 -2.7534400000e-01  1.6417740000e+00  2.0602700000e-01
+ENERGY -1.526578303590e+02
+FORCES -1.8029000000e-03  8.2135000000e-03 -3.6562000000e-03  4.2520000000e-03  5.8140000000e-04 -2.9565000000e-03 -4.3502000000e-03  2.6643000000e-03  1.4352000000e-03  4.3096000000e-03 -1.5131400000e-02  1.0505100000e-02 -1.6621000000e-03  4.4755000000e-03 -3.6672000000e-03 -7.4640000000e-04 -8.0330000000e-04 -1.6604000000e-03
+
+JOB 3
+COORDS  4.0560800000e-01 -6.4421400000e-01 -1.1306970000e+00  6.1578700000e-01  1.4780700000e-01 -1.6254290000e+00  4.0960600000e-01 -3.6366500000e-01 -2.1554200000e-01 -3.5596400000e-01  5.6280800000e-01  1.1379770000e+00 -1.1479680000e+00  4.7690000000e-02  9.8430700000e-01 -5.7852400000e-01  1.4421470000e+00  8.3226000000e-01
+ENERGY -1.526574603340e+02
+FORCES -1.1095000000e-03  1.0835300000e-02  1.3956500000e-02 -1.4042000000e-03 -1.6407000000e-03  1.4921000000e-03 -1.5332000000e-03 -6.2379000000e-03 -6.6042000000e-03 -3.5842000000e-03 -4.8940000000e-04 -9.2893000000e-03  6.3203000000e-03  2.0949000000e-03 -3.0420000000e-04  1.3107000000e-03 -4.5622000000e-03  7.4910000000e-04
+
+JOB 4
+COORDS -2.4308000000e-02  1.2807390000e+00  1.8176100000e-01 -8.3292300000e-01  1.1837140000e+00  6.8471300000e-01  5.3935800000e-01  1.8210240000e+00  7.3548100000e-01  7.7124000000e-02 -1.3570280000e+00 -2.2722800000e-01 -7.2299700000e-01 -1.4044140000e+00 -7.5048000000e-01  1.8364600000e-01 -4.2530000000e-01 -3.5477000000e-02
+ENERGY -1.526585022074e+02
+FORCES  1.0110000000e-04 -4.5177000000e-03  2.2899000000e-03  5.4895000000e-03 -1.7876000000e-03 -3.4694000000e-03 -3.8779000000e-03 -3.1318000000e-03 -2.2784000000e-03  7.4000000000e-05  1.7474800000e-02 -5.8660000000e-04  1.3821000000e-03  1.0033000000e-03  2.5590000000e-03 -3.1688000000e-03 -9.0411000000e-03  1.4855000000e-03
+
+JOB 5
+COORDS  9.8079000000e-02  1.2469430000e+00  3.1958200000e-01 -6.4636700000e-01  1.8461500000e+00  2.6496500000e-01  4.2618100000e-01  1.3526010000e+00  1.2125650000e+00 -1.2163500000e-01 -1.3443140000e+00 -3.6602400000e-01  7.4210400000e-01 -1.3336650000e+00 -7.7842300000e-01 -2.2519400000e-01 -4.6462400000e-01 -3.1830000000e-03
+ENERGY -1.526596996676e+02
+FORCES -1.2377000000e-03 -2.8892000000e-03  1.9460000000e-04  4.0273000000e-03 -3.7319000000e-03  1.3007000000e-03 -2.5475000000e-03 -1.1603000000e-03 -5.1104000000e-03  3.7564000000e-03  1.7216400000e-02  2.1341000000e-03 -1.7749000000e-03 -8.9850000000e-04  1.2296000000e-03 -2.2236000000e-03 -8.5364000000e-03  2.5150000000e-04
+
+JOB 6
+COORDS  9.6846000000e-01 -9.2348700000e-01  4.2105000000e-02  8.7887100000e-01 -1.3242160000e+00 -8.2254600000e-01  3.4703600000e-01 -1.3996600000e+00  5.9285300000e-01 -9.6566500000e-01  9.6245700000e-01  3.1941000000e-02 -6.9123000000e-02  6.6863100000e-01 -1.2964400000e-01 -1.2122690000e+00  1.4305030000e+00 -7.6577500000e-01
+ENERGY -1.526591668506e+02
+FORCES -9.2673000000e-03 -1.7836000000e-03  3.8330000000e-04 -2.0570000000e-04  3.4566000000e-03  3.6624000000e-03  4.1981000000e-03  1.7081000000e-03 -3.1492000000e-03  1.0663100000e-02 -6.4111000000e-03 -1.1745000000e-03 -7.9474000000e-03  6.2522000000e-03 -1.4119000000e-03  2.5591000000e-03 -3.2222000000e-03  1.6898000000e-03
+
+JOB 7
+COORDS -1.1911410000e+00 -5.5270100000e-01 -6.0584000000e-02 -1.9963900000e+00 -3.2398600000e-01  4.0363100000e-01 -1.3636330000e+00 -3.1519000000e-01 -9.7166400000e-01  1.2656630000e+00  5.1480100000e-01  1.4252000000e-02  4.3982000000e-01  2.0526300000e-01  3.8627500000e-01  1.6575830000e+00  1.0451480000e+00  7.0805600000e-01
+ENERGY -1.526599239296e+02
+FORCES  2.0281000000e-03  3.6679000000e-03 -4.7512000000e-03  4.5266000000e-03 -1.1920000000e-04 -2.2050000000e-03 -1.0581000000e-03 -1.4718000000e-03  5.2780000000e-03 -1.1028800000e-02 -5.0313000000e-03  1.7349000000e-03  9.1393000000e-03  5.1151000000e-03  1.1624000000e-03 -3.6071000000e-03 -2.1607000000e-03 -1.2192000000e-03
+
+JOB 8
+COORDS  7.5998100000e-01 -3.0012000000e-02  1.1291840000e+00  5.4184400000e-01  1.9065800000e-01  2.0346970000e+00 -8.5387000000e-02 -7.2596000000e-02  6.8222800000e-01 -7.6023300000e-01  1.8365000000e-02 -1.1342240000e+00 -2.5083300000e-01  8.1955800000e-01 -1.2560140000e+00 -1.6604100000e-01 -6.8564500000e-01 -1.3941060000e+00
+ENERGY -1.526604238299e+02
+FORCES -8.4649000000e-03 -3.8590000000e-04 -6.0064000000e-03 -1.2666000000e-03 -2.8060000000e-04 -4.3134000000e-03  7.7811000000e-03  3.6650000000e-04  6.6557000000e-03  8.8169000000e-03  8.8960000000e-04 -8.6830000000e-04 -3.3365000000e-03 -4.1426000000e-03  1.8153000000e-03 -3.5300000000e-03  3.5530000000e-03  2.7171000000e-03
+
+JOB 9
+COORDS -6.9958000000e-02 -1.1797650000e+00 -5.3290800000e-01  5.0456200000e-01 -1.8776480000e+00 -2.1807700000e-01 -2.4367100000e-01 -1.4058280000e+00 -1.4466650000e+00  7.4248000000e-02  1.2708290000e+00  6.2890700000e-01 -4.1674700000e-01  1.6215560000e+00 -1.1415900000e-01  1.5487000000e-01  3.3528400000e-01  4.4320300000e-01
+ENERGY -1.526580671778e+02
+FORCES  8.4890000000e-04  4.6092000000e-03 -1.1631000000e-03 -2.7370000000e-03  4.5706000000e-03 -1.5314000000e-03  1.0920000000e-03 -2.5840000000e-04  4.5187000000e-03 -3.1040000000e-03 -1.2847100000e-02 -9.8929000000e-03  1.0916000000e-03  5.8090000000e-04  1.7324000000e-03  2.8085000000e-03  3.3448000000e-03  6.3364000000e-03
+
+JOB 10
+COORDS  6.9894600000e-01  8.9191100000e-01  6.8623400000e-01  1.5492110000e+00  4.6333100000e-01  5.8825100000e-01  8.4666400000e-01  1.7892460000e+00  3.8756800000e-01 -7.5553300000e-01 -9.6535500000e-01 -7.1018400000e-01 -1.5475310000e+00 -5.3815200000e-01 -3.8388900000e-01 -4.7636000000e-02 -5.9145900000e-01 -1.8547900000e-01
+ENERGY -1.526562770668e+02
+FORCES -8.0470000000e-04  9.4810000000e-04 -5.9264000000e-03 -7.4184000000e-03 -4.5560000000e-04 -1.7723000000e-03  1.5530000000e-04 -4.1174000000e-03  2.4803000000e-03  3.6769000000e-03  1.3057900000e-02  9.2893000000e-03  5.4140000000e-04 -1.9671000000e-03 -2.1499000000e-03  3.8494000000e-03 -7.4660000000e-03 -1.9211000000e-03
+
+JOB 11
+COORDS -4.8024200000e-01 -1.1491280000e+00  6.3436600000e-01 -2.3494100000e-01 -1.9903050000e+00  2.4903300000e-01  5.7328000000e-02 -5.0694300000e-01  1.7084800000e-01  4.6754500000e-01  1.0991720000e+00 -5.7509700000e-01  3.3079700000e-01  1.7723120000e+00  9.1547000000e-02  3.9961000000e-02  1.4463540000e+00 -1.3579570000e+00
+ENERGY -1.526607554469e+02
+FORCES  5.6493000000e-03  9.2582000000e-03 -7.1778000000e-03 -2.1160000000e-04  3.6396000000e-03 -2.7660000000e-04 -2.2449000000e-03 -8.3895000000e-03  5.9756000000e-03 -6.0538000000e-03 -9.1560000000e-04  1.5981000000e-03  4.6570000000e-04 -3.2529000000e-03 -4.0416000000e-03  2.3952000000e-03 -3.3980000000e-04  3.9222000000e-03
+
+JOB 12
+COORDS  8.5029900000e-01 -2.3436000000e-01  1.1034020000e+00  9.8391400000e-01 -1.1685700000e+00  1.2634990000e+00  2.4112300000e-01 -2.0200300000e-01  3.6577800000e-01 -7.8589300000e-01  3.0367900000e-01 -1.0120020000e+00 -5.9766800000e-01 -3.1231600000e-01 -1.7200650000e+00 -1.6331880000e+00  6.8400500000e-01 -1.2436830000e+00
+ENERGY -1.526591977491e+02
+FORCES -8.4195000000e-03  1.7343000000e-03 -8.2719000000e-03 -1.2801000000e-03  2.7150000000e-03 -2.3040000000e-03  7.1659000000e-03 -4.9361000000e-03  4.4907000000e-03 -5.7840000000e-04  6.5410000000e-04  2.1931000000e-03 -1.1147000000e-03  2.2902000000e-03  5.0779000000e-03  4.2267000000e-03 -2.4576000000e-03 -1.1858000000e-03
+
+JOB 13
+COORDS -1.1946820000e+00 -7.5573800000e-01  1.2805300000e-01 -3.2466500000e-01 -4.2327200000e-01 -9.2787000000e-02 -1.0350990000e+00 -1.6329080000e+00  4.7638800000e-01  1.0766810000e+00  7.7791900000e-01 -1.7124400000e-01  1.1265380000e+00  8.8238300000e-01  7.7893100000e-01  1.9843280000e+00  8.4419900000e-01 -4.6791800000e-01
+ENERGY -1.526600776194e+02
+FORCES  9.7561000000e-03  3.3102000000e-03 -3.3975000000e-03 -7.4285000000e-03 -4.4876000000e-03  5.3905000000e-03  8.7320000000e-04  3.4287000000e-03 -7.8460000000e-04  8.4380000000e-04  2.4620000000e-04  1.6490000000e-03  2.4400000000e-05 -2.7113000000e-03 -5.7202000000e-03 -4.0690000000e-03  2.1380000000e-04  2.8628000000e-03
+
+JOB 14
+COORDS -9.4418100000e-01 -1.0946840000e+00 -7.8325000000e-02 -1.3737510000e+00 -6.3539200000e-01  6.4330700000e-01 -1.4974800000e-01 -5.8784800000e-01 -2.4632800000e-01  9.1270000000e-01  9.6886600000e-01  2.0367000000e-02  6.9553100000e-01  1.7816010000e+00 -4.3628700000e-01  1.2648730000e+00  1.2540570000e+00  8.6349900000e-01
+ENERGY -1.526595692400e+02
+FORCES  8.1092000000e-03  1.1756500000e-02  2.8309000000e-03 -1.7470000000e-04 -1.9135000000e-03 -1.2034000000e-03 -4.0017000000e-03 -6.4342000000e-03 -2.0473000000e-03 -2.6565000000e-03  3.6490000000e-04  1.2884000000e-03  1.2244000000e-03 -3.5242000000e-03  3.2900000000e-03 -2.5008000000e-03 -2.4950000000e-04 -4.1586000000e-03
+
+JOB 15
+COORDS  5.6236700000e-01  9.5544900000e-01 -8.9526600000e-01  3.1818000000e-01  1.7234000000e-01 -4.0196600000e-01 -5.7519000000e-02  9.8296000000e-01 -1.6241120000e+00 -4.8722100000e-01 -8.8449500000e-01  8.6532200000e-01 -6.0029800000e-01 -6.2297500000e-01  1.7791350000e+00 -9.2706700000e-01 -1.7323010000e+00  8.0214300000e-01
+ENERGY -1.526604070833e+02
+FORCES -6.8899000000e-03 -8.6958000000e-03  6.1790000000e-03  4.0166000000e-03  5.1890000000e-03 -5.7954000000e-03  1.5709000000e-03 -6.2270000000e-04  2.0322000000e-03  3.3470000000e-04  2.9286000000e-03  4.1780000000e-04 -4.2410000000e-04 -3.1957000000e-03 -3.9250000000e-03  1.3919000000e-03  4.3965000000e-03  1.0915000000e-03
+
+JOB 16
+COORDS -4.4627200000e-01 -1.3295640000e+00  2.0244400000e-01 -1.0134600000e-01 -2.0425560000e+00 -3.3504900000e-01 -5.8282200000e-01 -6.0938500000e-01 -4.1312800000e-01  3.9141000000e-01  1.3631840000e+00 -1.0817400000e-01  7.4491500000e-01  1.4587810000e+00 -9.9255400000e-01  8.4508000000e-01  6.0043000000e-01  2.5046500000e-01
+ENERGY -1.526575554339e+02
+FORCES -2.6228000000e-03  4.0235000000e-03 -4.3857000000e-03 -2.6380000000e-04  4.7871000000e-03  1.6810000000e-03  4.1469000000e-03 -6.5252000000e-03  2.0285000000e-03  4.9320000000e-03 -4.0847000000e-03  2.3056000000e-03 -3.2358000000e-03 -2.8274000000e-03  3.4799000000e-03 -2.9564000000e-03  4.6268000000e-03 -5.1094000000e-03
+
+JOB 17
+COORDS  7.1823500000e-01  8.6681600000e-01 -8.6560000000e-01  3.3353100000e-01  5.3915000000e-02 -1.1933600000e+00  7.4028000000e-02  1.5411810000e+00 -1.0811470000e+00 -7.2146500000e-01 -8.7182100000e-01  8.7079500000e-01 -2.5540300000e-01 -1.3912860000e+00  1.5259090000e+00 -1.1850600000e-01 -1.6029500000e-01  6.5538400000e-01
+ENERGY -1.526604317106e+02
+FORCES -4.7749000000e-03 -1.2986000000e-03 -4.9253000000e-03  2.1437000000e-03  4.9786000000e-03  5.6202000000e-03  2.8468000000e-03 -3.7879000000e-03  1.8885000000e-03  6.4740000000e-03  5.5507000000e-03  1.5750000000e-04 -7.7410000000e-04  2.5091000000e-03 -2.8288000000e-03 -5.9155000000e-03 -7.9518000000e-03  8.7900000000e-05
+
+JOB 18
+COORDS  5.1876200000e-01 -3.2970000000e-02  1.2653190000e+00  3.1017200000e-01  7.7097900000e-01  1.7411220000e+00  2.8909000000e-02 -7.1645000000e-01  1.7226280000e+00 -4.7092300000e-01  4.5838000000e-02 -1.3862670000e+00 -1.2143340000e+00 -2.0069200000e-01 -8.3599800000e-01  2.9152800000e-01 -4.6316000000e-02 -8.1494500000e-01
+ENERGY -1.526579891838e+02
+FORCES -3.7310000000e-03  1.6902000000e-03  8.3910000000e-04  3.8940000000e-04 -4.4481000000e-03 -1.7210000000e-03  1.1186000000e-03  3.7476000000e-03 -2.9625000000e-03  3.1456000000e-03 -9.5350000000e-04  1.3462900000e-02 -1.9400000000e-04  1.3650000000e-04 -2.3963000000e-03 -7.2860000000e-04 -1.7270000000e-04 -7.2222000000e-03
+
+JOB 19
+COORDS  8.6882200000e-01 -1.0204890000e+00  5.5128000000e-01  1.7426640000e+00 -6.3066300000e-01  5.2544500000e-01  2.7325500000e-01 -2.8383600000e-01  4.1389500000e-01 -8.5755300000e-01  8.9483900000e-01 -5.6084200000e-01 -1.6815060000e+00  1.1057200000e+00 -1.2168000000e-01 -4.3565600000e-01  1.7427770000e+00 -6.9953100000e-01
+ENERGY -1.526594129274e+02
+FORCES -5.7679000000e-03  9.3089000000e-03 -5.4817000000e-03 -2.9947000000e-03 -2.3090000000e-04 -2.9990000000e-04  6.3008000000e-03 -5.6604000000e-03  6.1927000000e-03 -1.0525000000e-03  2.4242000000e-03 -4.3690000000e-04  5.1910000000e-03 -1.0091000000e-03 -1.7784000000e-03 -1.6768000000e-03 -4.8328000000e-03  1.8043000000e-03
+
+JOB 20
+COORDS -6.2737400000e-01 -3.5557400000e-01  1.2379330000e+00 -6.9161900000e-01  2.8971500000e-01  1.9419970000e+00 -2.3381400000e-01  1.2339000000e-01  5.0859400000e-01  5.5258200000e-01  3.2838600000e-01 -1.2314590000e+00  7.2353300000e-01 -6.0817300000e-01 -1.3307790000e+00  1.4188620000e+00  7.3465900000e-01 -1.2585510000e+00
+ENERGY -1.526613397564e+02
+FORCES  3.4434000000e-03  5.8784000000e-03 -7.9112000000e-03  1.1433000000e-03 -1.1356000000e-03 -3.1532000000e-03 -3.2897000000e-03 -4.5486000000e-03  9.7315000000e-03  3.6873000000e-03 -3.8371000000e-03 -1.0052000000e-03 -6.3530000000e-04  5.9055000000e-03  1.5014000000e-03 -4.3490000000e-03 -2.2626000000e-03  8.3680000000e-04
+
+JOB 21
+COORDS  1.0910600000e-01 -1.2690550000e+00 -4.9297500000e-01 -1.0775200000e-01 -9.2473400000e-01 -1.3593740000e+00  5.5147000000e-01 -2.0995370000e+00 -6.6860600000e-01 -1.8269500000e-01  1.3178170000e+00  5.2728900000e-01  2.1817200000e-01  1.6619390000e+00  1.3254860000e+00  4.4406100000e-01  6.7074900000e-01  2.0369600000e-01
+ENERGY -1.526575219933e+02
+FORCES -2.1819000000e-03 -1.4831000000e-03 -3.4316000000e-03  3.3206000000e-03 -9.1870000000e-04  5.0351000000e-03 -2.4347000000e-03  4.0572000000e-03  8.8350000000e-04  3.4480000000e-03 -8.1204000000e-03  9.0180000000e-04 -9.5610000000e-04 -1.9240000000e-03 -2.6380000000e-03 -1.1960000000e-03  8.3890000000e-03 -7.5090000000e-04
+
+JOB 22
+COORDS -7.4307700000e-01  1.2118790000e+00 -3.4628300000e-01 -4.4929700000e-01  1.3506550000e+00 -1.2466520000e+00 -3.6571400000e-01  3.6794100000e-01 -9.8097000000e-02  6.7399400000e-01 -1.1143700000e+00  3.8635000000e-01  4.5433900000e-01 -1.8474990000e+00 -1.8854700000e-01  1.4455340000e+00 -1.4107920000e+00  8.6914600000e-01
+ENERGY -1.526601091215e+02
+FORCES  7.5704000000e-03 -8.1060000000e-03  1.4440000000e-03 -9.6010000000e-04 -9.8200000000e-04  2.4087000000e-03 -6.4436000000e-03  5.0027000000e-03 -4.2758000000e-03  2.0582000000e-03  3.5580000000e-04  1.2095000000e-03  1.2930000000e-03  4.5201000000e-03  2.4084000000e-03 -3.5180000000e-03 -7.9060000000e-04 -3.1948000000e-03
+
+JOB 23
+COORDS  2.4066900000e-01 -8.5756500000e-01  1.1555620000e+00  2.3952000000e-02 -4.2853600000e-01  3.2779400000e-01 -4.2876400000e-01 -1.5340680000e+00  1.2577090000e+00 -2.1149300000e-01  8.6782000000e-01 -1.0463650000e+00 -5.2077200000e-01  4.2912300000e-01 -1.8389080000e+00  5.4064400000e-01  1.3842480000e+00 -1.3358890000e+00
+ENERGY -1.526606946248e+02
+FORCES -3.6484000000e-03  6.1111000000e-03 -8.0914000000e-03  1.0851000000e-03 -8.6888000000e-03  6.9663000000e-03  1.6534000000e-03  2.4939000000e-03 -1.7886000000e-03  3.3204000000e-03  1.6423000000e-03 -2.2664000000e-03  1.9535000000e-03  1.1273000000e-03  4.9782000000e-03 -4.3640000000e-03 -2.6859000000e-03  2.0200000000e-04
+
+JOB 24
+COORDS -3.0266100000e-01 -1.3083910000e+00  5.4622000000e-01 -1.1092650000e+00 -1.5974900000e+00  9.7288600000e-01 -3.8129900000e-01 -3.5532100000e-01  5.0493700000e-01  2.8100200000e-01  1.2705110000e+00 -5.8075200000e-01  7.4099600000e-01  1.8914610000e+00 -1.5900000000e-02  9.6725900000e-01  6.8750900000e-01 -9.0539400000e-01
+ENERGY -1.526610010987e+02
+FORCES -2.5206000000e-03  7.5086000000e-03 -1.5708000000e-03  2.4977000000e-03  2.3729000000e-03 -1.3355000000e-03  5.2150000000e-04 -9.3797000000e-03  3.9317000000e-03  6.0738000000e-03 -1.8460000000e-04 -2.2709000000e-03 -2.5798000000e-03 -3.9833000000e-03 -1.8589000000e-03 -3.9926000000e-03  3.6661000000e-03  3.1044000000e-03
+
+JOB 25
+COORDS  6.7292300000e-01  1.1394560000e+00 -4.8039000000e-01  1.1723950000e+00  1.4548490000e+00  2.7279500000e-01  1.3380090000e+00  8.9092300000e-01 -1.1223600000e+00 -7.1014200000e-01 -1.1981190000e+00  5.0687400000e-01 -1.5940950000e+00 -8.3937900000e-01  4.2835400000e-01 -1.5798000000e-01 -5.8376700000e-01  2.3222000000e-02
+ENERGY -1.526609808854e+02
+FORCES  4.0534000000e-03  2.2687000000e-03  2.1074000000e-03 -2.0971000000e-03 -1.8153000000e-03 -4.5144000000e-03 -3.9841000000e-03 -4.2050000000e-04  4.2822000000e-03  2.0027000000e-03  1.0910400000e-02 -4.8184000000e-03  2.2325000000e-03 -1.5441000000e-03  6.5430000000e-04 -2.2075000000e-03 -9.3992000000e-03  2.2889000000e-03
+
+JOB 26
+COORDS -1.8089700000e-01 -3.8269200000e-01  1.4262900000e+00 -1.8369800000e-01 -1.7103100000e-01  4.9279000000e-01  4.9772100000e-01  1.8075800000e-01  1.7980900000e+00  1.4051700000e-01  3.6157500000e-01 -1.3361260000e+00 -4.7889500000e-01  5.4790800000e-01 -2.0417040000e+00  7.7978000000e-01 -2.3291900000e-01 -1.7287480000e+00
+ENERGY -1.526617982574e+02
+FORCES  2.1633000000e-03  5.4770000000e-03 -9.2991000000e-03 -1.4840000000e-04 -3.8807000000e-03  9.1981000000e-03 -1.6210000000e-03 -1.9820000000e-03 -9.8420000000e-04 -6.5390000000e-04 -1.4023000000e-03 -3.3224000000e-03  3.8857000000e-03 -1.3572000000e-03  2.5155000000e-03 -3.6257000000e-03  3.1452000000e-03  1.8922000000e-03
+
+JOB 27
+COORDS -2.0773900000e-01 -2.4922600000e-01 -1.3562630000e+00 -7.9119000000e-02  4.3752600000e-01 -2.0105270000e+00 -1.1060330000e+00 -5.4876900000e-01 -1.4961690000e+00  2.1382600000e-01  1.8608100000e-01  1.4454490000e+00  8.8640200000e-01  8.2352600000e-01  1.6853170000e+00  1.8185300000e-01  2.1922100000e-01  4.8935700000e-01
+ENERGY -1.526612201665e+02
+FORCES -4.1211000000e-03 -1.4220000000e-04 -2.2361000000e-03 -7.7880000000e-04 -3.0332000000e-03  3.8659000000e-03  4.6751000000e-03  2.1505000000e-03 -3.3320000000e-04  7.2980000000e-04 -4.1090000000e-04 -9.7932000000e-03 -2.0849000000e-03 -1.6721000000e-03 -2.1340000000e-03  1.5799000000e-03  3.1079000000e-03  1.0630600000e-02
+
+JOB 28
+COORDS -1.6713600000e-01 -1.0130080000e+00 -9.3509400000e-01 -1.0102990000e+00 -1.4605350000e+00 -1.0060020000e+00  4.8171100000e-01 -1.6941500000e+00 -1.1119410000e+00  2.3565500000e-01  1.0867440000e+00  9.7931200000e-01 -4.9214300000e-01  1.7045560000e+00  9.0966200000e-01 -7.7997000000e-02  2.9596600000e-01  5.4053700000e-01
+ENERGY -1.526601204534e+02
+FORCES  2.0273000000e-03 -3.4737000000e-03 -1.4658000000e-03  4.2161000000e-03  2.8191000000e-03  1.2313000000e-03 -4.2169000000e-03  2.5217000000e-03  2.7260000000e-04 -3.1157000000e-03 -5.8875000000e-03 -7.7170000000e-03  1.7229000000e-03 -2.5353000000e-03 -2.2400000000e-05 -6.3360000000e-04  6.5556000000e-03  7.7012000000e-03
+
+JOB 29
+COORDS -1.0036240000e+00 -6.4482200000e-01 -8.9587500000e-01 -1.7727030000e+00 -7.6382000000e-02 -9.3618400000e-01 -3.7002500000e-01 -1.5455300000e-01 -3.7202200000e-01  9.7335100000e-01  5.7836300000e-01  8.0624000000e-01  1.0324860000e+00 -1.1612000000e-01  1.4623100000e+00  1.5206800000e+00  1.2830660000e+00  1.1527310000e+00
+ENERGY -1.526611017350e+02
+FORCES  4.2370000000e-03  7.2627000000e-03  4.2748000000e-03  2.3845000000e-03 -1.5569000000e-03  1.7730000000e-04 -6.0933000000e-03 -6.5469000000e-03 -2.8736000000e-03  1.9656000000e-03  8.0490000000e-04  1.8878000000e-03 -5.6150000000e-04  4.0597000000e-03 -3.5852000000e-03 -1.9324000000e-03 -4.0235000000e-03  1.1890000000e-04
+
+JOB 30
+COORDS  1.3097440000e+00  3.3084500000e-01  3.7946900000e-01  1.4452990000e+00  1.1290560000e+00 -1.3113500000e-01  1.6463740000e+00  5.4281400000e-01  1.2500910000e+00 -1.3933940000e+00 -4.2077900000e-01 -3.8452000000e-01 -1.0711420000e+00 -2.2894300000e-01 -1.2651930000e+00 -7.2348200000e-01 -6.4553000000e-02  1.9904900000e-01
+ENERGY -1.526587586000e+02
+FORCES  3.3102000000e-03  2.9881000000e-03  5.1370000000e-04 -2.0170000000e-03 -4.3539000000e-03  2.3897000000e-03 -2.5492000000e-03 -7.1380000000e-04 -4.4851000000e-03  1.1741400000e-02  2.1007000000e-03  7.1320000000e-04 -1.8940000000e-03  1.4680000000e-04  1.7730000000e-03 -8.5914000000e-03 -1.6810000000e-04 -9.0460000000e-04
+
+JOB 31
+COORDS  5.2668200000e-01 -1.6300500000e-01  1.3721580000e+00  1.4885300000e-01  1.3263500000e-01  5.4386200000e-01  6.4009100000e-01  6.3806500000e-01  1.8836830000e+00 -4.5371400000e-01  8.2647000000e-02 -1.3116380000e+00 -1.1956430000e+00 -4.7940200000e-01 -1.5349640000e+00 -6.3920900000e-01  9.1155900000e-01 -1.7529190000e+00
+ENERGY -1.526609160604e+02
+FORCES -2.9260000000e-03  2.8234000000e-03 -8.4643000000e-03  3.0653000000e-03  4.4420000000e-04  1.0584300000e-02 -8.0720000000e-04 -1.9019000000e-03 -2.8245000000e-03 -3.2555000000e-03 -1.0715000000e-03 -2.4163000000e-03  3.4011000000e-03  3.7111000000e-03  2.6120000000e-04  5.2230000000e-04 -4.0053000000e-03  2.8595000000e-03
+
+JOB 32
+COORDS  6.4286000000e-01 -1.2507740000e+00 -4.4431600000e-01  1.1986400000e+00 -1.7222510000e+00  1.7620800000e-01  1.6951900000e-01 -6.1509800000e-01  9.2431000000e-02 -6.4432900000e-01  1.1801480000e+00  3.9562600000e-01 -1.1775400000e-01  1.8851610000e+00  7.7233100000e-01 -1.2267490000e+00  1.6201740000e+00 -2.2356400000e-01
+ENERGY -1.526607196436e+02
+FORCES -3.5315000000e-03  6.5516000000e-03  4.5733000000e-03 -1.8824000000e-03  2.7625000000e-03 -1.3133000000e-03  4.6251000000e-03 -9.0771000000e-03 -1.5718000000e-03  8.6670000000e-04  3.2017000000e-03 -3.6157000000e-03 -2.8214000000e-03 -2.8631000000e-03 -1.6670000000e-03  2.7435000000e-03 -5.7560000000e-04  3.5946000000e-03
+
+JOB 33
+COORDS -6.1543200000e-01 -1.3432140000e+00 -2.3864800000e-01 -1.6763200000e-01 -5.0444100000e-01 -1.2834800000e-01 -4.6694100000e-01 -1.8048830000e+00  5.8660600000e-01  6.3428000000e-01  1.2877590000e+00  1.6073900000e-01  6.5093000000e-01  1.9860340000e+00  8.1523700000e-01 -2.8962900000e-01  1.2007300000e+00 -7.3887000000e-02
+ENERGY -1.526549814382e+02
+FORCES  7.2989000000e-03  2.7143000000e-03  5.3486000000e-03 -9.4241000000e-03  3.6531000000e-03 -3.4291000000e-03 -1.1483000000e-03  1.1201000000e-03 -2.9451000000e-03 -3.4678000000e-03  4.1132000000e-03  2.7563000000e-03 -2.5110000000e-04 -2.8781000000e-03 -3.6061000000e-03  6.9926000000e-03 -8.7226000000e-03  1.8754000000e-03
+
+JOB 34
+COORDS -1.1717970000e+00  2.7933500000e-01  9.0340700000e-01 -7.2901200000e-01  6.3218100000e-01  1.6752060000e+00 -4.8597300000e-01  2.2305000000e-01  2.3804300000e-01  1.0873500000e+00 -2.7294800000e-01 -8.3927100000e-01  8.4324600000e-01 -1.1099450000e+00 -1.2343400000e+00  1.5636410000e+00  1.8842500000e-01 -1.5295710000e+00
+ENERGY -1.526617352758e+02
+FORCES  9.8883000000e-03  1.9930000000e-04 -3.5724000000e-03 -1.5523000000e-03 -7.6740000000e-04 -2.1008000000e-03 -8.5423000000e-03  8.9200000000e-05  4.9738000000e-03  1.1775000000e-03 -1.4905000000e-03 -3.8193000000e-03  9.9880000000e-04  5.0907000000e-03  1.5561000000e-03 -1.9700000000e-03 -3.1213000000e-03  2.9626000000e-03
+
+JOB 35
+COORDS -1.2680750000e+00  2.8934200000e-01 -6.6145400000e-01 -7.0417000000e-01  8.2330500000e-01 -1.2210310000e+00 -1.3695550000e+00 -5.3405000000e-01 -1.1389050000e+00  1.2630090000e+00 -2.8955700000e-01  7.7853600000e-01  1.8299870000e+00 -2.4055000000e-02  5.4467000000e-02  3.8074000000e-01 -2.8301500000e-01  4.0733500000e-01
+ENERGY -1.526582380983e+02
+FORCES -1.1295000000e-03  1.1723000000e-03 -5.9091000000e-03 -8.4880000000e-04 -4.4501000000e-03  4.0565000000e-03  2.8060000000e-03  4.2084000000e-03  3.7926000000e-03 -7.5828000000e-03  2.5437000000e-03 -5.2580000000e-03 -2.7315000000e-03 -4.9750000000e-04  1.6118000000e-03  9.4866000000e-03 -2.9767000000e-03  1.7061000000e-03
+
+JOB 36
+COORDS  4.7200400000e-01  1.4076370000e+00  7.4566000000e-02 -1.3046500000e-01  2.1453550000e+00 -2.0482000000e-02 -5.1257000000e-02  6.3945100000e-01 -1.5417000000e-01 -3.4905200000e-01 -1.3738620000e+00 -8.1317000000e-02 -1.1979880000e+00 -1.5034420000e+00 -5.0410300000e-01 -4.4210800000e-01 -1.7890370000e+00  7.7612200000e-01
+ENERGY -1.526595149598e+02
+FORCES -3.6838000000e-03 -7.1054000000e-03 -1.1274000000e-03  1.0636000000e-03 -3.8289000000e-03  1.3730000000e-04  3.2520000000e-04  1.0741100000e-02 -6.9530000000e-04 -1.3753000000e-03 -4.0549000000e-03  3.9977000000e-03  4.2002000000e-03  3.0499000000e-03  2.4805000000e-03 -5.2980000000e-04  1.1982000000e-03 -4.7928000000e-03
+
+JOB 37
+COORDS -2.8305600000e-01  1.7415100000e-01  1.4977910000e+00 -8.1031000000e-01  7.5596900000e-01  9.5032100000e-01  2.5880900000e-01 -3.1340400000e-01  8.7738600000e-01  3.4208600000e-01 -1.9721300000e-01 -1.3905140000e+00 -3.5459500000e-01  4.1182700000e-01 -1.1456920000e+00  9.0013000000e-02 -5.1408100000e-01 -2.2578580000e+00
+ENERGY -1.526548575286e+02
+FORCES  2.0946000000e-03 -1.5602000000e-03 -7.0971000000e-03  1.6976000000e-03 -1.9154000000e-03 -1.0963000000e-03 -3.4390000000e-03  3.3923000000e-03  5.1858000000e-03 -3.7087000000e-03  6.1030000000e-04 -3.7643000000e-03  2.7089000000e-03 -2.7152000000e-03  2.7747000000e-03  6.4660000000e-04  2.1882000000e-03  3.9972000000e-03
+
+JOB 38
+COORDS -1.2131430000e+00 -7.5513500000e-01  3.0979600000e-01 -1.4331320000e+00 -1.4944720000e+00 -2.5696400000e-01 -5.5161800000e-01 -1.1007020000e+00  9.0912900000e-01  1.2524400000e+00  7.9834600000e-01 -3.3632900000e-01  1.0511570000e+00  1.4031990000e+00  3.7772200000e-01  4.0545400000e-01  4.2554100000e-01 -5.8100000000e-01
+ENERGY -1.526600190015e+02
+FORCES  1.5325000000e-03 -5.6085000000e-03  2.4277000000e-03  2.0458000000e-03  3.9373000000e-03  2.1927000000e-03 -3.6397000000e-03  2.2726000000e-03 -3.4670000000e-03 -9.5105000000e-03 -2.3000000000e-04  1.8894000000e-03  1.6574000000e-03 -2.4433000000e-03 -1.6888000000e-03  7.9145000000e-03  2.0720000000e-03 -1.3540000000e-03
+
+JOB 39
+COORDS  2.7491000000e-02  1.4180330000e+00  1.0685900000e-01  2.7640700000e-01  1.8424790000e+00 -7.1418700000e-01  3.0588000000e-02  2.1244480000e+00  7.5276900000e-01 -5.6597000000e-02 -1.5211930000e+00 -4.1670000000e-02  1.1830100000e-01 -5.8012900000e-01 -4.8118000000e-02  1.6397000000e-02 -1.7851460000e+00 -9.5885700000e-01
+ENERGY -1.526601997588e+02
+FORCES  6.4900000000e-05  4.0425000000e-03  1.7206000000e-03 -9.8860000000e-04 -2.6791000000e-03  3.8703000000e-03  7.1800000000e-05 -1.7899000000e-03 -4.2034000000e-03  2.5560000000e-04  8.2346000000e-03 -1.2464000000e-03  6.4510000000e-04 -9.5681000000e-03 -2.7897000000e-03 -4.8800000000e-05  1.7600000000e-03  2.6487000000e-03
+
+JOB 40
+COORDS -3.7510800000e-01 -3.8928500000e-01  1.4463020000e+00  3.0046600000e-01  2.7906800000e-01  1.3316910000e+00 -8.5292100000e-01 -3.9224300000e-01  6.1689400000e-01  3.0788000000e-01  3.6445900000e-01 -1.3730180000e+00  6.3450200000e-01 -5.0066600000e-01 -1.6202200000e+00  1.0218410000e+00  9.6260500000e-01 -1.5937290000e+00
+ENERGY -1.526579654976e+02
+FORCES  2.0046000000e-03  5.5085000000e-03 -9.5623000000e-03 -6.3220000000e-04 -1.8319000000e-03  3.6885000000e-03 -1.0147000000e-03 -3.3887000000e-03  4.4670000000e-03  4.4252000000e-03 -1.5230000000e-03 -1.7081000000e-03 -2.0416000000e-03  4.2048000000e-03  1.3162000000e-03 -2.7413000000e-03 -2.9695000000e-03  1.7987000000e-03
+
+JOB 41
+COORDS  2.2434000000e-01 -3.2552100000e-01  1.4315210000e+00 -2.3648400000e-01  4.7203100000e-01  1.6918720000e+00 -4.2337600000e-01 -1.0223120000e+00  1.5372570000e+00 -2.1431200000e-01  3.2022900000e-01 -1.4621860000e+00  4.4702000000e-01  5.4367500000e-01 -2.1171240000e+00  2.8878300000e-01  1.0568500000e-01 -6.7663000000e-01
+ENERGY -1.526614496038e+02
+FORCES -6.2960000000e-03 -1.6470000000e-04  3.3712000000e-03  2.6164000000e-03 -4.0002000000e-03 -1.7169000000e-03  3.1770000000e-03  3.5371000000e-03 -2.0570000000e-04  4.5780000000e-03 -1.7127000000e-03  4.9497000000e-03 -1.7271000000e-03 -8.7680000000e-04  3.2104000000e-03 -2.3483000000e-03  3.2174000000e-03 -9.6085000000e-03
+
+JOB 42
+COORDS  1.3658900000e-01  9.5967800000e-01 -1.2013810000e+00 -2.8940000000e-02  3.8636700000e-01 -4.5295200000e-01  1.0089400000e-01  1.8446310000e+00 -8.3831500000e-01 -1.1510000000e-01 -9.2005700000e-01  1.0903490000e+00 -6.0142200000e-01 -9.9890000000e-01  1.9110230000e+00  2.4475900000e-01 -1.7941510000e+00  9.3971000000e-01
+ENERGY -1.526615297109e+02
+FORCES -1.0562000000e-03 -2.6077000000e-03  8.4002000000e-03  1.2369000000e-03  5.4994000000e-03 -8.0484000000e-03 -1.5390000000e-04 -2.6178000000e-03 -9.6450000000e-04 -5.3790000000e-04 -3.4933000000e-03  2.2696000000e-03  2.7583000000e-03 -6.4010000000e-04 -3.3024000000e-03 -2.2472000000e-03  3.8595000000e-03  1.6455000000e-03
+
+JOB 43
+COORDS  3.0015000000e-01  1.9641200000e-01  1.5258150000e+00  1.2194240000e+00  6.9748000000e-02  1.2910290000e+00 -1.5512700000e-01  2.6180300000e-01  6.8636300000e-01 -3.6081700000e-01 -1.9106900000e-01 -1.4105530000e+00  2.9047600000e-01 -8.3848200000e-01 -1.6805620000e+00 -3.9349100000e-01  4.3320000000e-01 -2.1354330000e+00
+ENERGY -1.526601267762e+02
+FORCES  1.2810000000e-04 -5.4250000000e-04 -9.4008000000e-03 -2.2294000000e-03 -9.3400000000e-05  1.2401000000e-03  1.7500000000e-03  1.1279000000e-03  8.6798000000e-03  2.1479000000e-03 -1.0122000000e-03 -4.9372000000e-03 -2.5033000000e-03  3.8214000000e-03  1.1706000000e-03  7.0680000000e-04 -3.3012000000e-03  3.2476000000e-03
+
+JOB 44
+COORDS  5.2354600000e-01 -1.6529000000e-02  1.3881550000e+00  3.9055000000e-02 -7.7588200000e-01  1.7120130000e+00  2.5913300000e-01  7.0050100000e-01  1.9645100000e+00 -4.7203600000e-01 -4.4059000000e-02 -1.4600830000e+00 -5.3847400000e-01  3.1474400000e-01 -5.7516600000e-01 -5.2144900000e-01  7.2078300000e-01 -2.0335000000e+00
+ENERGY -1.526577680662e+02
+FORCES  9.8500000000e-05 -2.9315000000e-03  5.5586000000e-03  1.6413000000e-03  4.7161000000e-03 -1.8273000000e-03  2.3890000000e-04 -3.0142000000e-03 -4.5398000000e-03  2.7752000000e-03  3.5583000000e-03  5.4507000000e-03 -5.0706000000e-03 -2.4200000000e-05 -7.4589000000e-03  3.1680000000e-04 -2.3044000000e-03  2.8165000000e-03
+
+JOB 45
+COORDS -8.8180500000e-01 -2.1721800000e-01 -1.2846120000e+00 -6.1749000000e-01 -6.4511900000e-01 -4.7019800000e-01 -1.0787550000e+00  6.8401800000e-01 -1.0292380000e+00  8.5272700000e-01  2.4370000000e-01  1.2012040000e+00  1.4633460000e+00 -3.6959300000e-01  7.9224500000e-01  7.0229500000e-01 -1.1478300000e-01  2.0759000000e+00
+ENERGY -1.526577967925e+02
+FORCES  2.5219000000e-03  4.6638000000e-03  8.7757000000e-03 -1.2899000000e-03 -2.9557000000e-03 -5.0635000000e-03 -1.0329000000e-03 -2.7309000000e-03 -3.0067000000e-03  4.7168000000e-03 -1.9302000000e-03  2.1306000000e-03 -4.8077000000e-03  1.8778000000e-03  2.1106000000e-03 -1.0820000000e-04  1.0753000000e-03 -4.9466000000e-03
+
+JOB 46
+COORDS -3.8729700000e-01 -1.2604700000e+00  8.6188800000e-01 -8.2305400000e-01 -5.1486700000e-01  4.4906200000e-01  3.3926200000e-01 -8.7348800000e-01  1.3503440000e+00  4.2762300000e-01  1.1953320000e+00 -8.1589800000e-01 -4.6365200000e-01  1.5196980000e+00 -6.8687600000e-01  4.5185800000e-01  9.1801200000e-01 -1.7317240000e+00
+ENERGY -1.526548521312e+02
+FORCES  5.1956000000e-03  8.4559000000e-03 -2.7846000000e-03 -3.2102000000e-03 -2.2630000000e-03  1.7191000000e-03 -3.0772000000e-03 -3.0819000000e-03  4.0380000000e-04 -1.7004000000e-03 -3.9590000000e-04 -4.9586000000e-03  3.3509000000e-03 -4.5836000000e-03  1.4042000000e-03 -5.5860000000e-04  1.8686000000e-03  4.2161000000e-03
+
+JOB 47
+COORDS -9.9676000000e-01  1.1046380000e+00 -8.3798000000e-02 -3.7638500000e-01  1.8185380000e+00 -2.3115400000e-01 -1.5626200000e+00  1.4200430000e+00  6.2086900000e-01  9.5486700000e-01 -1.1947960000e+00  2.2469000000e-02  7.4833000000e-01 -2.7503700000e-01  1.8865100000e-01  1.7714270000e+00 -1.3471320000e+00  4.9813200000e-01
+ENERGY -1.526566640697e+02
+FORCES -3.9188000000e-03  4.5299000000e-03  1.5368000000e-03 -8.7490000000e-04 -5.8324000000e-03  2.0914000000e-03  2.9222000000e-03 -9.6360000000e-04 -3.5392000000e-03 -2.1460000000e-03  4.8380000000e-03  1.7975000000e-03  7.5893000000e-03 -4.1711000000e-03 -3.5560000000e-04 -3.5719000000e-03  1.5992000000e-03 -1.5309000000e-03
+
+JOB 48
+COORDS -4.6916200000e-01  5.4027800000e-01  1.4296580000e+00 -1.3164990000e+00  2.5016800000e-01  1.0918870000e+00  1.6543200000e-01  2.3154400000e-01  7.8297000000e-01  4.2802600000e-01 -5.1178400000e-01 -1.3390070000e+00  1.0252400000e+00 -1.2209600000e+00 -1.5769930000e+00  8.3153400000e-01  2.7497600000e-01 -1.7056420000e+00
+ENERGY -1.526601008528e+02
+FORCES -3.4970000000e-04 -5.0922000000e-03 -8.3516000000e-03  1.6334000000e-03  1.7057000000e-03  2.6243000000e-03 -5.2960000000e-04  4.3021000000e-03  6.6994000000e-03  3.4177000000e-03 -6.4320000000e-04 -5.1693000000e-03 -2.6003000000e-03  3.8029000000e-03  1.1556000000e-03 -1.5715000000e-03 -4.0753000000e-03  3.0416000000e-03
+
+JOB 49
+COORDS -1.4360100000e+00  5.6114800000e-01  1.1788500000e-01 -9.2224800000e-01  1.2551000000e-02 -4.7483900000e-01 -2.3444570000e+00  4.1285300000e-01 -1.4472500000e-01  1.4401290000e+00 -4.7873800000e-01 -1.2019000000e-01  9.8515700000e-01 -1.2291570000e+00  2.6204700000e-01  2.2434060000e+00 -3.9771900000e-01  3.9402200000e-01
+ENERGY -1.526557268260e+02
+FORCES  1.3175000000e-03 -1.2138000000e-03 -4.3408000000e-03 -5.6800000000e-03 -5.7480000000e-04  3.1291000000e-03  4.2333000000e-03  1.7410000000e-04  1.0969000000e-03  2.4556000000e-03 -6.8970000000e-04  5.9635000000e-03  5.6910000000e-04  3.4563000000e-03 -3.7423000000e-03 -2.8954000000e-03 -1.1521000000e-03 -2.1063000000e-03
+
+JOB 50
+COORDS  8.2296400000e-01 -1.2193760000e+00 -5.9470400000e-01  5.4199400000e-01 -4.5573300000e-01 -9.0583000000e-02  1.5508890000e+00 -9.0024200000e-01 -1.1280980000e+00 -8.6490700000e-01  1.1011020000e+00  6.2340300000e-01 -3.1540800000e-01  1.7996190000e+00  9.7886900000e-01 -1.1505280000e+00  1.4305610000e+00 -2.2871800000e-01
+ENERGY -1.526594825444e+02
+FORCES -1.3830000000e-03  5.9925000000e-03  2.7200000000e-03  6.4489000000e-03 -6.0065000000e-03 -5.0680000000e-03 -3.0005000000e-03 -2.7040000000e-04  1.9639000000e-03 -3.2882000000e-03  6.2081000000e-03 -1.2532000000e-03 -1.5090000000e-03 -4.4095000000e-03 -2.7137000000e-03  2.7318000000e-03 -1.5142000000e-03  4.3509000000e-03
+
+JOB 51
+COORDS -5.0045000000e-02  1.3976820000e+00 -8.0034100000e-01  3.8483100000e-01  7.6778900000e-01 -2.2558000000e-01 -2.8737000000e-01  2.1242690000e+00 -2.2416500000e-01  8.6127000000e-02 -1.3562560000e+00  7.3051000000e-01 -5.6603100000e-01 -1.4849340000e+00  1.4192510000e+00 -1.0475500000e-01 -2.0400630000e+00  8.8480000000e-02
+ENERGY -1.526593273640e+02
+FORCES  9.3170000000e-04 -3.4409000000e-03  6.0439000000e-03 -2.2430000000e-04  7.5177000000e-03 -4.3918000000e-03  5.5880000000e-04 -2.6621000000e-03 -1.7313000000e-03 -5.0367000000e-03 -4.1302000000e-03 -6.2000000000e-04  2.8910000000e-03  2.7690000000e-04 -2.8211000000e-03  8.7950000000e-04  2.4385000000e-03  3.5204000000e-03
+
+JOB 52
+COORDS -4.3294900000e-01 -3.6581300000e-01 -1.4428110000e+00 -8.2778100000e-01  3.0874500000e-01 -1.9953610000e+00  1.6608700000e-01 -8.3284400000e-01 -2.0252800000e+00  4.3851900000e-01  3.1846800000e-01  1.5643870000e+00  1.8227000000e-01  1.2395360000e+00  1.5174500000e+00  4.0976900000e-01  1.4832000000e-02  6.5707700000e-01
+ENERGY -1.526597498165e+02
+FORCES -1.0387000000e-03  4.9430000000e-04 -6.5175000000e-03  2.1268000000e-03 -3.1519000000e-03  2.2185000000e-03 -2.6319000000e-03  2.6186000000e-03  2.9937000000e-03 -3.0201000000e-03  1.1920000000e-03 -7.3789000000e-03  9.2880000000e-04 -2.6010000000e-03  6.4290000000e-04  3.6351000000e-03  1.4479000000e-03  8.0413000000e-03
+
+JOB 53
+COORDS -1.4374240000e+00 -1.8665400000e-01 -8.3368600000e-01 -8.0633400000e-01  3.2097000000e-01 -3.2351400000e-01 -1.1900060000e+00 -3.0769000000e-02 -1.7451220000e+00  1.3956210000e+00  1.1351500000e-01  7.9622300000e-01  8.9557700000e-01 -2.3959800000e-01  1.5320900000e+00  1.6933150000e+00  9.7168300000e-01  1.0981450000e+00
+ENERGY -1.526579352531e+02
+FORCES  7.1982000000e-03  2.1823000000e-03 -1.2515000000e-03 -7.1674000000e-03 -8.6730000000e-04 -1.5098000000e-03 -1.6319000000e-03 -3.2720000000e-04  2.9085000000e-03  2.5189000000e-03 -2.9810000000e-04  6.0935000000e-03  1.5616000000e-03  3.0817000000e-03 -4.1998000000e-03 -2.4793000000e-03 -3.7715000000e-03 -2.0410000000e-03
+
+JOB 54
+COORDS -8.4843500000e-01 -1.4842080000e+00  1.2859000000e-01 -5.9182300000e-01 -8.1731500000e-01  7.6548600000e-01 -5.4465400000e-01 -1.1424570000e+00 -7.1233500000e-01  8.5179100000e-01  1.4280100000e+00 -6.2525000000e-02  2.7851600000e-01  2.1125380000e+00 -4.0749900000e-01  7.6901300000e-01  7.0799400000e-01 -6.8779000000e-01
+ENERGY -1.526540334029e+02
+FORCES  2.2225000000e-03  4.9782000000e-03  8.1940000000e-04 -1.9393000000e-03 -4.6755000000e-03 -3.5018000000e-03  4.9640000000e-04  3.5270000000e-04  2.5721000000e-03 -1.3433000000e-03  1.9893000000e-03 -4.9461000000e-03  2.5628000000e-03 -3.6422000000e-03  1.6088000000e-03 -1.9991000000e-03  9.9750000000e-04  3.4477000000e-03
+
+JOB 55
+COORDS -6.8351000000e-02 -1.6850760000e+00  2.7088200000e-01 -9.7709900000e-01 -1.4099670000e+00  1.4953800000e-01  3.8157400000e-01 -8.9819500000e-01  5.7848500000e-01  8.3000000000e-02  1.6406560000e+00 -2.1706100000e-01 -4.6913100000e-01  1.8544180000e+00 -9.6918400000e-01  8.5733100000e-01  1.2263370000e+00 -5.9782700000e-01
+ENERGY -1.526568550579e+02
+FORCES -3.3971000000e-03  6.8672000000e-03  1.8959000000e-03  2.8359000000e-03 -2.7071000000e-03 -2.5630000000e-04  1.3070000000e-03 -4.6202000000e-03 -2.1289000000e-03  7.8680000000e-04  8.2450000000e-04 -6.5076000000e-03  2.2433000000e-03 -9.0750000000e-04  3.4642000000e-03 -3.7760000000e-03  5.4310000000e-04  3.5327000000e-03
+
+JOB 56
+COORDS -3.5052100000e-01 -1.5696000000e+00  4.7833000000e-01 -2.2293000000e-01 -9.3907900000e-01  1.1871290000e+00  4.3296700000e-01 -2.1189830000e+00  5.0191300000e-01  3.4302000000e-01  1.5998630000e+00 -4.8534800000e-01 -5.6203000000e-02  7.5182000000e-01 -2.9124500000e-01 -4.8926000000e-02  1.8647950000e+00 -1.3174660000e+00
+ENERGY -1.526579256515e+02
+FORCES  4.6223000000e-03 -3.3715000000e-03  4.5464000000e-03 -7.8450000000e-04 -8.2630000000e-04 -6.2667000000e-03 -3.9053000000e-03  2.2070000000e-03  2.5410000000e-04 -3.6622000000e-03 -4.1754000000e-03 -3.8530000000e-03  2.0787000000e-03  6.8554000000e-03  2.2596000000e-03  1.6509000000e-03 -6.8930000000e-04  3.0595000000e-03
+
+JOB 57
+COORDS  3.2031300000e-01 -1.4769640000e+00  8.6156500000e-01  4.3747000000e-01 -1.0858460000e+00  1.7273200000e+00  8.6600900000e-01 -9.4522900000e-01  2.8216400000e-01 -3.0027000000e-01  1.3982730000e+00 -8.6475300000e-01 -5.0565600000e-01  2.1374130000e+00 -1.4372220000e+00 -1.1525460000e+00  1.0860820000e+00 -5.6079000000e-01
+ENERGY -1.526579776255e+02
+FORCES  3.8076000000e-03  4.7941000000e-03  1.1920000000e-04 -9.4250000000e-04 -1.7727000000e-03 -3.0597000000e-03 -1.7609000000e-03 -4.4633000000e-03  3.6112000000e-03 -5.2056000000e-03  1.7462000000e-03 -1.4889000000e-03  4.5190000000e-04 -3.1031000000e-03  2.5201000000e-03  3.6495000000e-03  2.7987000000e-03 -1.7019000000e-03
+
+JOB 58
+COORDS -1.8704900000e-01  1.7309260000e+00 -3.0931000000e-02 -4.8217300000e-01  1.0637080000e+00 -6.5057200000e-01 -9.9258300000e-01  2.1490870000e+00  2.7318700000e-01  2.5965100000e-01 -1.6724780000e+00 -4.2250000000e-03 -4.6960200000e-01 -2.2258430000e+00  2.7543300000e-01  9.4764900000e-01 -1.8383120000e+00  6.4028300000e-01
+ENERGY -1.526559332913e+02
+FORCES -3.6798000000e-03 -3.5891000000e-03 -1.6025000000e-03 -2.4320000000e-04  5.7784000000e-03  1.5138000000e-03  2.9743000000e-03 -1.7788000000e-03 -9.5870000000e-04  1.3073000000e-03 -2.5064000000e-03  5.2062000000e-03  2.6467000000e-03  2.6640000000e-03 -1.3776000000e-03 -3.0053000000e-03 -5.6820000000e-04 -2.7813000000e-03
+
+JOB 59
+COORDS  1.6584170000e+00  6.0479400000e-01 -1.9958100000e-01  8.6847600000e-01  3.9098300000e-01 -6.9607900000e-01  2.3792300000e+00  3.1719500000e-01 -7.5989100000e-01 -1.6310650000e+00 -5.5746100000e-01  3.2084200000e-01 -2.3539010000e+00 -1.1467410000e+00  1.0523100000e-01 -1.2946460000e+00 -2.6977300000e-01 -5.2785700000e-01
+ENERGY -1.526509380877e+02
+FORCES -1.5920000000e-04 -2.7409000000e-03 -3.5041000000e-03  1.1378000000e-03  1.0645000000e-03  5.2060000000e-04 -3.1414000000e-03  1.2935000000e-03  2.5337000000e-03 -2.8933000000e-03 -1.7568000000e-03 -4.0024000000e-03  3.2552000000e-03  2.6486000000e-03  1.2670000000e-03  1.8008000000e-03 -5.0880000000e-04  3.1852000000e-03
+
+JOB 60
+COORDS  9.4476500000e-01 -1.4936110000e+00  4.9531000000e-01  3.5167100000e-01 -1.0812290000e+00 -1.3271300000e-01  5.5068200000e-01 -1.3166100000e+00  1.3494760000e+00 -8.5491000000e-01  1.4471750000e+00 -4.6344600000e-01 -7.1629900000e-01  2.0487290000e+00 -1.1949860000e+00 -1.7631470000e+00  1.1600130000e+00 -5.5765700000e-01
+ENERGY -1.526569334761e+02
+FORCES -4.2780000000e-03  5.4155000000e-03  5.5090000000e-04  2.4168000000e-03 -5.2412000000e-03  2.1318000000e-03  1.4809000000e-03 -1.8140000000e-03 -2.6735000000e-03 -3.1626000000e-03  4.2224000000e-03 -3.7444000000e-03 -1.0972000000e-03 -2.7054000000e-03  3.1860000000e-03  4.6400000000e-03  1.2260000000e-04  5.4920000000e-04
+
+JOB 61
+COORDS  1.3529870000e+00  1.0063070000e+00 -6.4025200000e-01  1.3146560000e+00  9.4400000000e-02 -3.5182800000e-01  2.1993950000e+00  1.0833680000e+00 -1.0805770000e+00 -1.3497000000e+00 -9.7154800000e-01  6.0117500000e-01 -1.3700280000e+00 -1.2472390000e+00  1.5175880000e+00 -2.1531050000e+00 -4.6425700000e-01  4.8529800000e-01
+ENERGY -1.526562120859e+02
+FORCES  1.7018000000e-03 -4.5248000000e-03 -1.7030000000e-04  3.2193000000e-03  4.6323000000e-03 -1.6960000000e-03 -3.4054000000e-03 -3.8320000000e-04  1.7894000000e-03 -4.7165000000e-03  2.1634000000e-03  2.9813000000e-03  4.7460000000e-04  9.9990000000e-04 -3.8815000000e-03  2.7262000000e-03 -2.8876000000e-03  9.7700000000e-04
+
+JOB 62
+COORDS  8.5688700000e-01  1.0459760000e+00  1.2548580000e+00  4.1330800000e-01  1.8230620000e+00  9.1484900000e-01  7.1862400000e-01  1.0855030000e+00  2.2011940000e+00 -8.1605000000e-01 -1.1019890000e+00 -1.3502460000e+00 -2.8718800000e-01 -1.3439970000e+00 -5.9000300000e-01 -1.5472330000e+00 -6.0369300000e-01 -9.8513700000e-01
+ENERGY -1.526559243208e+02
+FORCES -1.2044000000e-03  4.9130000000e-03  2.4603000000e-03  1.4095000000e-03 -3.5175000000e-03  1.9295000000e-03  2.3850000000e-04 -5.2110000000e-04 -4.2513000000e-03  6.6490000000e-04  1.7887000000e-03  5.8899000000e-03 -3.1891000000e-03 -9.3340000000e-04 -4.0739000000e-03  2.0805000000e-03 -1.7297000000e-03 -1.9544000000e-03
+
+JOB 63
+COORDS -1.9079000000e-01  1.1917770000e+00 -1.4539650000e+00 -3.2856000000e-01  5.4301500000e-01 -2.1441530000e+00 -9.9983600000e-01  1.1737950000e+00 -9.4273700000e-01  2.4513700000e-01 -1.1239870000e+00  1.5248750000e+00 -6.9955000000e-02 -1.9953120000e+00  1.2845820000e+00  5.7048900000e-01 -7.5193800000e-01  7.0514400000e-01
+ENERGY -1.526564881355e+02
+FORCES -5.3201000000e-03 -3.6040000000e-04 -1.9645000000e-03  1.0332000000e-03  2.0920000000e-03  3.7286000000e-03  4.1293000000e-03 -5.2070000000e-04 -2.6722000000e-03  1.3423000000e-03 -1.3227000000e-03 -4.4802000000e-03  9.1370000000e-04  3.6348000000e-03  6.7040000000e-04 -2.0985000000e-03 -3.5230000000e-03  4.7180000000e-03
+
+JOB 64
+COORDS -3.1554400000e-01 -1.0584140000e+00  1.5899620000e+00  4.3221000000e-01 -1.6361800000e+00  1.4373740000e+00 -3.1221100000e-01 -4.5934300000e-01  8.4341400000e-01  2.8557700000e-01  1.0021460000e+00 -1.5111100000e+00  9.1325000000e-02  1.8433020000e+00 -1.0976440000e+00  2.7706700000e-01  1.1885640000e+00 -2.4499430000e+00
+ENERGY -1.526576076731e+02
+FORCES  3.3547000000e-03  2.9930000000e-04 -5.4651000000e-03 -2.8127000000e-03  1.7064000000e-03  1.2703000000e-03 -8.4990000000e-04 -2.3110000000e-03  5.9297000000e-03 -5.0790000000e-04  4.7846000000e-03 -4.4229000000e-03  5.9340000000e-04 -4.3132000000e-03 -1.3032000000e-03  2.2240000000e-04 -1.6610000000e-04  3.9911000000e-03
+
+JOB 65
+COORDS -1.1533810000e+00  1.5330780000e+00  3.4222600000e-01 -1.6085880000e+00  9.6203900000e-01  9.6104100000e-01 -5.2653800000e-01  9.5887000000e-01 -9.7757000000e-02  1.0929310000e+00 -1.5078490000e+00 -3.3369000000e-01  1.4192960000e+00 -7.3246800000e-01  1.2292900000e-01  1.7033460000e+00 -1.6331580000e+00 -1.0602730000e+00
+ENERGY -1.526557157864e+02
+FORCES -5.6440000000e-04 -5.9312000000e-03 -1.2230000000e-04  1.9166000000e-03  2.9464000000e-03 -2.0450000000e-03 -9.6880000000e-04  4.2086000000e-03  2.9332000000e-03  5.8892000000e-03  4.9290000000e-04 -1.3065000000e-03 -3.5896000000e-03 -2.4035000000e-03 -2.8247000000e-03 -2.6830000000e-03  6.8680000000e-04  3.3654000000e-03
+
+JOB 66
+COORDS  8.5191400000e-01  4.2046700000e-01 -1.6991170000e+00  9.1014700000e-01  3.8848400000e-01 -2.6540080000e+00  1.1820710000e+00 -4.3017800000e-01 -1.4099240000e+00 -8.9519100000e-01 -3.5199400000e-01  1.8044660000e+00 -1.1312300000e-01 -8.4119100000e-01  1.5489500000e+00 -1.3434530000e+00 -1.6788700000e-01  9.7899800000e-01
+ENERGY -1.526545533157e+02
+FORCES  2.6777000000e-03 -2.9117000000e-03 -3.9955000000e-03 -2.6700000000e-04  6.9200000000e-05  4.1848000000e-03 -2.2829000000e-03  3.3333000000e-03 -2.4380000000e-04  1.5660000000e-03  1.1080000000e-04 -5.2687000000e-03 -2.7901000000e-03  1.1246000000e-03  1.0340000000e-03  1.0962000000e-03 -1.7263000000e-03  4.2891000000e-03
+
+JOB 67
+COORDS -1.4843000000e-01  1.1616720000e+00 -1.8004190000e+00 -6.3637700000e-01  4.0925200000e-01 -1.4657500000e+00  4.4824300000e-01  7.9084700000e-01 -2.4505750000e+00  1.7221300000e-01 -1.0632620000e+00  1.7585150000e+00 -3.5443400000e-01 -6.0522500000e-01  2.4135540000e+00  2.3777800000e-01 -1.9597820000e+00  2.0874310000e+00
+ENERGY -1.526550201853e+02
+FORCES  1.0576000000e-03 -5.3468000000e-03  6.3600000000e-05  1.0992000000e-03  3.6299000000e-03 -2.7095000000e-03 -2.4291000000e-03  1.6286000000e-03  2.1015000000e-03 -1.3961000000e-03 -1.3422000000e-03  4.9271000000e-03  1.9958000000e-03 -2.2834000000e-03 -2.7913000000e-03 -3.2740000000e-04  3.7138000000e-03 -1.5914000000e-03
+
+JOB 68
+COORDS -2.2618700000e-01  8.5303300000e-01 -1.8783650000e+00 -1.5108300000e-01  8.8112200000e-01 -2.8322010000e+00 -9.9485300000e-01  1.3886980000e+00 -1.6822820000e+00  2.9154300000e-01 -8.5415200000e-01  1.8664360000e+00 -4.1007900000e-01 -5.9455100000e-01  2.4635680000e+00  6.3530300000e-01 -1.6662350000e+00  2.2387020000e+00
+ENERGY -1.526525174710e+02
+FORCES -2.8678000000e-03  2.1708000000e-03 -2.4845000000e-03 -1.7770000000e-04 -2.5050000000e-04  3.9627000000e-03  3.0083000000e-03 -2.0261000000e-03 -9.8830000000e-04 -1.3701000000e-03 -2.3740000000e-03  3.4630000000e-03  2.7717000000e-03 -8.8440000000e-04 -2.4880000000e-03 -1.3644000000e-03  3.3642000000e-03 -1.4648000000e-03
+
+JOB 69
+COORDS -4.9400800000e-01  4.5247200000e-01 -2.1724650000e+00 -7.7056100000e-01  1.3353200000e-01 -1.3133790000e+00  3.3065000000e-01 -2.4860000000e-03 -2.3432960000e+00  4.5397000000e-01 -4.6914100000e-01  2.1363070000e+00  1.1386000000e-02  1.4227100000e-01  1.5476420000e+00  1.0525150000e+00  7.8017000000e-02  2.6448280000e+00
+ENERGY -1.526540639251e+02
+FORCES  2.2530000000e-03 -4.1795000000e-03  1.9940000000e-03  1.2921000000e-03  2.4283000000e-03 -2.5431000000e-03 -3.5051000000e-03  2.2859000000e-03  6.5030000000e-04  1.0013000000e-03  5.3206000000e-03  8.7600000000e-04  1.4972000000e-03 -3.4042000000e-03  1.1481000000e-03 -2.5384000000e-03 -2.4512000000e-03 -2.1253000000e-03
+
+JOB 70
+COORDS -4.8515300000e-01  1.3381770000e+00  1.6896630000e+00 -2.0236400000e-01  1.4953850000e+00  2.5905230000e+00 -7.6153900000e-01  4.2178600000e-01  1.6813460000e+00  4.2596000000e-01 -1.3070310000e+00 -1.7640640000e+00  8.2127500000e-01 -1.5726590000e+00 -9.3376300000e-01  1.1293450000e+00 -8.5646800000e-01 -2.2314770000e+00
+ENERGY -1.526540836816e+02
+FORCES -8.2670000000e-04 -2.9694000000e-03  3.4003000000e-03 -9.6250000000e-04 -7.3530000000e-04 -3.8407000000e-03  1.7801000000e-03  3.6340000000e-03  5.3270000000e-04  4.7979000000e-03  1.6940000000e-03  1.2436000000e-03 -2.0481000000e-03  6.7450000000e-04 -2.9984000000e-03 -2.7407000000e-03 -2.2979000000e-03  1.6625000000e-03
+
+JOB 71
+COORDS -6.2492000000e-01 -1.6844980000e+00 -1.4140570000e+00 -8.1537500000e-01 -7.8292700000e-01 -1.1549660000e+00 -5.3976200000e-01 -2.1589550000e+00 -5.8709200000e-01  6.9273600000e-01  1.6405090000e+00  1.3478650000e+00 -9.1234000000e-02  1.1080210000e+00  1.2134030000e+00  3.6015300000e-01  2.5284320000e+00  1.4790670000e+00
+ENERGY -1.526531051126e+02
+FORCES  3.9740000000e-04  1.5350000000e-03  3.9793000000e-03  1.5570000000e-04 -3.6401000000e-03 -2.5630000000e-04 -7.6790000000e-04  2.3079000000e-03 -3.3271000000e-03 -4.2354000000e-03  2.2946000000e-03  6.2800000000e-04  3.0704000000e-03  1.4261000000e-03 -4.0620000000e-04  1.3799000000e-03 -3.9236000000e-03 -6.1770000000e-04
+
+JOB 72
+COORDS  1.0623100000e+00 -1.8387860000e+00 -9.4759100000e-01  1.9728760000e+00 -1.8329780000e+00 -6.5251900000e-01  5.5181000000e-01 -1.9676220000e+00 -1.4820200000e-01 -1.1312080000e+00  1.8802880000e+00  8.5251800000e-01 -5.2703500000e-01  2.1871250000e+00  1.5285780000e+00 -9.1691400000e-01  9.5399700000e-01  7.4163200000e-01
+ENERGY -1.526535695108e+02
+FORCES  2.2745000000e-03 -1.4661000000e-03  3.8092000000e-03 -4.0239000000e-03  9.8500000000e-05 -1.0600000000e-03  1.8006000000e-03  1.6912000000e-03 -3.0716000000e-03  3.5590000000e-03 -2.3827000000e-03  1.5479000000e-03 -2.4871000000e-03 -1.4014000000e-03 -2.6414000000e-03 -1.1231000000e-03  3.4606000000e-03  1.4158000000e-03
+
+JOB 73
+COORDS -2.2299000000e-01  2.0823730000e+00  1.2246580000e+00  4.8786000000e-01  1.4565980000e+00  1.0856280000e+00 -5.0895400000e-01  1.9247170000e+00  2.1244360000e+00  2.4720600000e-01 -2.0894940000e+00 -1.2578040000e+00 -6.4097800000e-01 -2.0917870000e+00 -9.0093500000e-01  3.2323600000e-01 -1.2475940000e+00 -1.7068660000e+00
+ENERGY -1.526549505242e+02
+FORCES  2.1135000000e-03 -2.9293000000e-03  3.6937000000e-03 -3.3047000000e-03  2.7053000000e-03  1.4550000000e-04  1.0515000000e-03  6.2170000000e-04 -3.7660000000e-03 -3.8609000000e-03  3.2235000000e-03 -1.0960000000e-03  3.8847000000e-03 -1.2970000000e-04 -1.2127000000e-03  1.1590000000e-04 -3.4916000000e-03  2.2355000000e-03
+
+JOB 74
+COORDS -8.6159500000e-01  3.3480500000e-01 -2.2864240000e+00 -5.0684100000e-01  1.6409700000e-01 -3.1589140000e+00 -3.3919700000e-01  1.0645290000e+00 -1.9535040000e+00  8.0692800000e-01 -4.3220900000e-01  2.3027880000e+00  1.1747200000e+00 -1.3440000000e-02  3.0809870000e+00  4.9519600000e-01  2.9475300000e-01  1.7637330000e+00
+ENERGY -1.526536410090e+02
+FORCES  3.6979000000e-03  1.8170000000e-03 -2.7132000000e-03 -1.5519000000e-03  8.6710000000e-04  3.5547000000e-03 -2.1909000000e-03 -2.8910000000e-03 -7.0960000000e-04 -2.6300000000e-04  4.4372000000e-03  8.6060000000e-04 -1.4440000000e-03 -1.7085000000e-03 -3.2621000000e-03  1.7520000000e-03 -2.5219000000e-03  2.2696000000e-03
+
+JOB 75
+COORDS -1.3515620000e+00 -1.9209260000e+00 -6.0662000000e-01 -1.5838390000e+00 -2.8492090000e+00 -6.3049800000e-01 -1.9531390000e+00 -1.5070160000e+00 -1.2255020000e+00  1.3885060000e+00  1.9379970000e+00  5.7482300000e-01  2.1788170000e+00  1.7919630000e+00  1.0947400000e+00  7.7551300000e-01  2.3533150000e+00  1.1814380000e+00
+ENERGY -1.526535262936e+02
+FORCES -3.1278000000e-03 -1.6670000000e-03 -2.9385000000e-03  1.0078000000e-03  3.7702000000e-03  2.1790000000e-04  2.1785000000e-03 -1.9140000000e-03  2.6213000000e-03  4.3850000000e-04  2.5040000000e-04  4.7270000000e-03 -3.0473000000e-03  8.6800000000e-04 -2.1096000000e-03  2.5503000000e-03 -1.3075000000e-03 -2.5180000000e-03
+
+JOB 76
+COORDS  2.1015670000e+00  3.3435400000e-01  1.3367670000e+00  1.3659650000e+00  7.3727900000e-01  8.7549300000e-01  2.4294620000e+00  1.0238270000e+00  1.9141270000e+00 -2.0420740000e+00 -4.1945100000e-01 -1.3903580000e+00 -2.0464260000e+00  4.4893000000e-01 -9.8770800000e-01 -2.6926920000e+00 -9.1695200000e-01 -8.9495700000e-01
+ENERGY -1.526537471014e+02
+FORCES -1.5571000000e-03  4.1966000000e-03  2.1800000000e-05  2.8756000000e-03 -1.1680000000e-03  2.3551000000e-03 -1.4635000000e-03 -2.8285000000e-03 -2.3430000000e-03 -3.1802000000e-03  9.5640000000e-04  3.4716000000e-03  6.7690000000e-04 -3.4086000000e-03 -1.3968000000e-03  2.6483000000e-03  2.2521000000e-03 -2.1086000000e-03
+
+JOB 77
+COORDS  6.8948400000e-01 -1.8563510000e+00 -1.7067070000e+00  5.6826400000e-01 -9.7510400000e-01 -1.3532380000e+00  8.6350600000e-01 -1.7195580000e+00 -2.6379620000e+00 -7.0427600000e-01  1.7721380000e+00  1.8092310000e+00 -4.1862300000e-01  1.2619760000e+00  1.0513600000e+00 -8.0506100000e-01  2.6632260000e+00  1.4745140000e+00
+ENERGY -1.526529340199e+02
+FORCES  4.0850000000e-04  3.7623000000e-03 -2.7459000000e-03  1.9380000000e-04 -3.0235000000e-03 -9.0910000000e-04 -7.6400000000e-04 -5.0400000000e-04  3.9935000000e-03  5.4510000000e-04  1.6857000000e-03 -4.0680000000e-03 -8.7760000000e-04  1.9187000000e-03  2.4509000000e-03  4.9420000000e-04 -3.8392000000e-03  1.2786000000e-03
+
+JOB 78
+COORDS  1.6897600000e-01 -1.3124900000e-01  2.7707180000e+00  2.1233300000e-01  1.6395900000e-01  1.8612100000e+00  3.9456200000e-01  6.4355100000e-01  3.2855270000e+00 -1.8908500000e-01  1.8208000000e-02 -2.7285740000e+00 -9.0230300000e-01  6.1900900000e-01 -2.9444230000e+00  6.0708800000e-01  5.0229100000e-01 -2.9476720000e+00
+ENERGY -1.526543792076e+02
+FORCES  1.0009000000e-03  4.0378000000e-03 -2.0365000000e-03 -3.5200000000e-05 -8.1780000000e-04  4.2873000000e-03 -9.0110000000e-04 -3.0700000000e-03 -2.0742000000e-03  1.8350000000e-04  4.1308000000e-03 -2.5633000000e-03  3.0704000000e-03 -2.3868000000e-03  1.1221000000e-03 -3.3185000000e-03 -1.8940000000e-03  1.2645000000e-03
+
+JOB 79
+COORDS  1.7967600000e-01  1.9505430000e+00  2.5463880000e+00 -7.5440200000e-01  2.0911590000e+00  2.3916090000e+00  4.4411200000e-01  2.6842870000e+00  3.1012970000e+00 -1.4886500000e-01 -2.0371770000e+00 -2.6067200000e+00 -4.3071100000e-01 -1.1255590000e+00 -2.6825320000e+00  2.3493100000e-01 -2.0977550000e+00 -1.7319270000e+00
+ENERGY -1.526544936345e+02
+FORCES -2.6580000000e-03  3.7372000000e-03  1.9677000000e-03  3.8517000000e-03 -6.7780000000e-04  4.2570000000e-04 -1.1333000000e-03 -3.0012000000e-03 -2.3051000000e-03  6.3760000000e-04  3.5707000000e-03  3.4569000000e-03  9.6950000000e-04 -3.7105000000e-03  1.6100000000e-04 -1.6675000000e-03  8.1600000000e-05 -3.7061000000e-03
+
+JOB 80
+COORDS  3.6607700000e-01  2.1528880000e+00  2.4348470000e+00  3.1236000000e-01  2.2103960000e+00  3.3888060000e+00 -2.1392600000e-01  1.4268940000e+00  2.2051500000e+00 -3.1664000000e-01 -2.1134020000e+00 -2.4080040000e+00 -1.0948600000e-01 -2.7626620000e+00 -3.0801500000e+00 -8.0132300000e-01 -1.4319900000e+00 -2.8738280000e+00
+ENERGY -1.526542764432e+02
+FORCES -2.4727000000e-03 -3.0359000000e-03  2.8073000000e-03  2.0660000000e-04 -1.5790000000e-04 -3.8341000000e-03  2.2252000000e-03  3.2240000000e-03  1.0852000000e-03 -9.2870000000e-04  1.8600000000e-04 -4.7859000000e-03 -8.9850000000e-04  2.6225000000e-03  2.7414000000e-03  1.8682000000e-03 -2.8385000000e-03  1.9862000000e-03
+
+JOB 81
+COORDS -8.1658300000e-01 -2.3401240000e+00 -2.2901490000e+00 -1.3438870000e+00 -1.5852360000e+00 -2.5515460000e+00  8.8237000000e-02 -2.0342960000e+00 -2.3534010000e+00  7.9621300000e-01  2.2528880000e+00  2.2496040000e+00  1.5189400000e+00  2.1995910000e+00  2.8749500000e+00  1.6280400000e-01  2.8386430000e+00  2.6642300000e+00
+ENERGY -1.526542952296e+02
+FORCES  1.6377000000e-03  4.6201000000e-03 -9.5350000000e-04  2.0155000000e-03 -3.1791000000e-03  8.5640000000e-04 -3.6446000000e-03 -1.4384000000e-03  2.4400000000e-05  3.1090000000e-04  2.0747000000e-03  4.4137000000e-03 -2.9186000000e-03  2.6450000000e-04 -2.5960000000e-03  2.5990000000e-03 -2.3418000000e-03 -1.7450000000e-03
+
+JOB 82
+COORDS  5.6184100000e-01  3.3017470000e+00  7.3355700000e-01  6.5364800000e-01  3.9800080000e+00  6.4405000000e-02 -3.7276200000e-01  3.2933820000e+00  9.4014500000e-01 -5.2752000000e-01 -3.2910280000e+00 -6.6925000000e-01 -5.7294800000e-01 -3.3391520000e+00 -1.6241590000e+00 -2.3784600000e-01 -4.1622620000e+00 -3.9856000000e-01
+ENERGY -1.526538776063e+02
+FORCES -3.5555000000e-03  2.4127000000e-03 -1.8887000000e-03 -3.2720000000e-04 -2.7089000000e-03  2.7080000000e-03  3.8303000000e-03  2.6100000000e-04 -8.2210000000e-04  1.2072000000e-03 -3.6434000000e-03 -2.7466000000e-03  8.9400000000e-05  1.6270000000e-04  3.8673000000e-03 -1.2442000000e-03  3.5158000000e-03 -1.1180000000e-03
+
+JOB 83
+COORDS -2.8076500000e-01 -6.6157000000e-02  3.9135280000e+00 -9.7910000000e-01  1.4140000000e-01  3.2926570000e+00  5.1607200000e-01 -7.8008000000e-02  3.3833000000e+00  2.9371200000e-01  1.1800000000e-04 -3.8798910000e+00 -3.1009700000e-01  3.0618000000e-02 -3.1377880000e+00  5.6705300000e-01  9.0897300000e-01 -4.0043880000e+00
+ENERGY -1.526538628003e+02
+FORCES  4.5960000000e-04  6.8980000000e-04 -4.5740000000e-03  2.8648000000e-03 -7.9480000000e-04  2.4295000000e-03 -3.3396000000e-03  1.2570000000e-04  2.1024000000e-03 -1.3929000000e-03  3.8532000000e-03  2.2602000000e-03  2.5318000000e-03 -1.2180000000e-04 -2.8449000000e-03 -1.1236000000e-03 -3.7521000000e-03  6.2680000000e-04
+
+JOB 84
+COORDS  2.9187000000e-01 -3.8204790000e+00 -5.6335000000e-01  7.6558000000e-01 -4.5623690000e+00 -1.8728000000e-01  7.6439300000e-01 -3.6184870000e+00 -1.3709100000e+00 -3.7928400000e-01  3.8961150000e+00  5.4833900000e-01  2.4620000000e-01  4.0850950000e+00  1.2478300000e+00 -4.0831300000e-01  2.9403790000e+00  5.0410200000e-01
+ENERGY -1.526542824638e+02
+FORCES  3.7994000000e-03 -2.4009000000e-03 -1.8574000000e-03 -1.9100000000e-03  3.0827000000e-03 -1.5129000000e-03 -1.9076000000e-03 -7.3510000000e-04  3.3681000000e-03  2.3304000000e-03 -3.2721000000e-03  2.7082000000e-03 -2.5016000000e-03 -7.0610000000e-04 -2.8534000000e-03  1.8940000000e-04  4.0316000000e-03  1.4750000000e-04
+
+JOB 85
+COORDS -1.1820570000e+00  3.2903290000e+00  1.9444070000e+00 -6.5479500000e-01  3.9971250000e+00  1.5720280000e+00 -1.3341360000e+00  2.6929570000e+00  1.2121160000e+00  1.1263610000e+00 -3.2931590000e+00 -1.8259280000e+00  1.5008540000e+00 -4.0944810000e+00 -2.1918090000e+00  1.3529370000e+00 -2.6116590000e+00 -2.4587420000e+00
+ENERGY -1.526540490156e+02
+FORCES  1.5434000000e-03  2.6370000000e-04 -4.4705000000e-03 -2.1455000000e-03 -2.8380000000e-03  1.4990000000e-03  6.0700000000e-04  2.5886000000e-03  2.9396000000e-03  2.5153000000e-03 -6.5270000000e-04 -4.0459000000e-03 -1.5342000000e-03  3.3076000000e-03  1.4691000000e-03 -9.8600000000e-04 -2.6692000000e-03  2.6088000000e-03
+
+JOB 86
+COORDS -3.6121400000e-01 -4.1252790000e+00  2.8686330000e+00 -9.0407100000e-01 -3.7822140000e+00  3.5784540000e+00 -4.0691000000e-02 -4.9656040000e+00  3.1962770000e+00  3.2907500000e-01  4.1233220000e+00 -2.9639760000e+00  1.2437300000e+00  3.8796370000e+00 -2.8216580000e+00  2.3132700000e-01  4.9622070000e+00 -2.5134780000e+00
+ENERGY -1.526540269636e+02
+FORCES -9.6100000000e-04 -2.0258000000e-03  4.1952000000e-03  2.2406000000e-03 -1.4028000000e-03 -2.8731000000e-03 -1.2886000000e-03  3.4337000000e-03 -1.3288000000e-03  3.3403000000e-03  2.3246000000e-03  2.4662000000e-03 -3.7204000000e-03  1.0599000000e-03 -6.1000000000e-04  3.8920000000e-04 -3.3896000000e-03 -1.8495000000e-03
+
+JOB 87
+COORDS  4.4705800000e+00  3.4226350000e+00 -1.5155180000e+00  5.2125550000e+00  2.9767230000e+00 -1.1070240000e+00  4.2143500000e+00  2.8495080000e+00 -2.2380850000e+00 -4.5507390000e+00 -3.4067680000e+00  1.5479250000e+00 -3.6334340000e+00 -3.5324720000e+00  1.7907890000e+00 -4.5584420000e+00 -2.5855550000e+00  1.0562120000e+00
+ENERGY -1.526540783767e+02
+FORCES  2.0547000000e-03 -4.1060000000e-03 -1.3161000000e-03 -3.0611000000e-03  1.7979000000e-03 -1.6563000000e-03  1.0044000000e-03  2.3146000000e-03  2.9762000000e-03  3.6919000000e-03  2.8743000000e-03 -9.8760000000e-04 -3.7297000000e-03  4.9180000000e-04 -1.0063000000e-03  3.9800000000e-05 -3.3727000000e-03  1.9901000000e-03
+
+JOB 88
+COORDS  6.2995690000e+00 -4.5182310000e+00  9.4973700000e-01  5.8030420000e+00 -3.7347530000e+00  7.1340000000e-01  5.7057750000e+00 -5.2447870000e+00  7.6064100000e-01 -6.2774040000e+00  4.4697960000e+00 -9.3666600000e-01 -5.3270050000e+00  4.5239370000e+00 -1.0368750000e+00 -6.5363810000e+00  5.3390670000e+00 -6.3083600000e-01
+ENERGY -1.526540788712e+02
+FORCES -4.4534000000e-03  2.1630000000e-04 -1.7351000000e-03  2.0293000000e-03 -3.1843000000e-03  9.6440000000e-04  2.4256000000e-03  2.9695000000e-03  7.7090000000e-04  2.8007000000e-03  3.7890000000e-03  8.3870000000e-04 -3.8662000000e-03 -2.3840000000e-04  4.0900000000e-04  1.0641000000e-03 -3.5522000000e-03 -1.2479000000e-03
+
+JOB 89
+COORDS -7.1625140000e+00 -5.1558330000e+00  2.1228550000e+00 -6.3932530000e+00 -5.4243280000e+00  1.6204800000e+00 -6.8040870000e+00 -4.7195390000e+00  2.8957770000e+00  7.1386640000e+00  5.2105230000e+00 -2.1207060000e+00  7.4540970000e+00  4.3410930000e+00 -1.8740760000e+00  6.3575050000e+00  5.0418770000e+00 -2.6475650000e+00
+ENERGY -1.526540585496e+02
+FORCES  4.5892000000e-03  6.7900000000e-04  1.1141000000e-03 -3.1326000000e-03  1.1002000000e-03  2.0448000000e-03 -1.4557000000e-03 -1.7785000000e-03 -3.1600000000e-03 -1.8908000000e-03 -4.2246000000e-03 -1.1549000000e-03 -1.2938000000e-03  3.5427000000e-03 -1.0008000000e-03  3.1837000000e-03  6.8120000000e-04  2.1568000000e-03
+
+JOB 0
+COORDS  3.1443000000e-02 -4.7778100000e-01  1.0840550000e+00  9.8840300000e-01 -4.9914600000e-01  1.0822700000e+00 -2.2869200000e-01 -1.3888820000e+00  1.2199140000e+00 -1.1238000000e-01  5.4715100000e-01 -1.1457750000e+00 -3.6745600000e-01  1.6823400000e-01 -3.0459100000e-01  8.2725700000e-01  7.0884000000e-01 -1.0610970000e+00
+ENERGY -1.526492054329e+02
+FORCES  2.1603000000e-03  7.8529000000e-03 -2.3433000000e-02 -4.9702000000e-03  2.6240000000e-04 -1.2925000000e-03  2.0287000000e-03  5.3970000000e-03 -2.2379000000e-03  2.6771000000e-03 -1.3044200000e-02  3.0029600000e-02 -1.1571000000e-03  8.1510000000e-04 -4.1216000000e-03 -7.3880000000e-04 -1.2832000000e-03  1.0555000000e-03
+
+JOB 1
+COORDS -7.0182600000e-01  1.3622900000e-01  1.0294650000e+00 -2.7089400000e-01  2.3452300000e-01  1.8785040000e+00 -1.5755840000e+00 -1.9279100000e-01  1.2404750000e+00  7.0105600000e-01 -1.6781200000e-01 -1.1277550000e+00  4.3771200000e-01  1.5954300000e-01 -2.6768500000e-01  1.4620560000e+00  3.6267800000e-01 -1.3637470000e+00
+ENERGY -1.526565020222e+02
+FORCES  1.4609000000e-03 -4.3159000000e-03 -8.7791000000e-03 -1.2461000000e-03 -3.0260000000e-04 -5.4567000000e-03  4.2739000000e-03  2.0327000000e-03  1.9580000000e-03 -9.2673000000e-03  1.9038000000e-03  1.1878300000e-02  7.8706000000e-03  1.4346000000e-03 -3.4739000000e-03 -3.0919000000e-03 -7.5260000000e-04  3.8733000000e-03
+
+JOB 2
+COORDS  1.9914100000e-01  9.8885800000e-01  9.3781300000e-01 -1.3297200000e-01  5.9216000000e-01  1.7431480000e+00  1.8417000000e-01  2.7845400000e-01  2.9646000000e-01 -2.0275100000e-01 -9.3462400000e-01 -8.8434500000e-01 -5.3396900000e-01 -3.5366100000e-01 -1.5691870000e+00  5.7045800000e-01 -1.3453180000e+00 -1.2712690000e+00
+ENERGY -1.526601004825e+02
+FORCES -3.2901000000e-03 -1.4833100000e-02 -9.0521000000e-03  9.5850000000e-04  5.6820000000e-04 -2.3400000000e-03  1.9184000000e-03  9.1714000000e-03  4.0204000000e-03  9.0560000000e-04  4.3016000000e-03  1.7850000000e-04  3.5640000000e-03 -2.6801000000e-03  4.8881000000e-03 -4.0565000000e-03  3.4720000000e-03  2.3052000000e-03
+
+JOB 3
+COORDS  9.7358800000e-01 -7.1696600000e-01  4.7486500000e-01  1.6834180000e+00 -3.1210000000e-01 -2.3589000000e-02  1.1021710000e+00 -1.6578370000e+00  3.5461500000e-01 -1.0389830000e+00  7.7622800000e-01 -4.9765700000e-01 -2.6871200000e-01  2.5385500000e-01 -2.7395600000e-01 -1.5422490000e+00  8.2201600000e-01  3.1527400000e-01
+ENERGY -1.526588627304e+02
+FORCES -3.0362000000e-03 -7.6700000000e-05 -3.3371000000e-03 -7.1174000000e-03 -1.8383000000e-03  1.1438000000e-03  5.2310000000e-04  5.2454000000e-03  6.5120000000e-04  1.0244300000e-02 -1.0584900000e-02  9.6311000000e-03 -1.2937000000e-03  7.2980000000e-03 -5.8744000000e-03  6.7980000000e-04 -4.3500000000e-05 -2.2146000000e-03
+
+JOB 4
+COORDS -7.1425600000e-01 -1.1194350000e+00  3.6137400000e-01 -1.3307190000e+00 -1.1679340000e+00  1.0920270000e+00 -5.2096900000e-01 -1.8622400000e-01  2.7199900000e-01  7.4743300000e-01  1.0111060000e+00 -3.6601700000e-01  5.1916700000e-01  1.1728520000e+00 -1.2814210000e+00  7.9270200000e-01  1.8824540000e+00  2.7601000000e-02
+ENERGY -1.526583826825e+02
+FORCES  6.7593000000e-03  1.0425000000e-02 -1.6926000000e-03  2.9054000000e-03  2.4964000000e-03 -2.1822000000e-03 -8.1539000000e-03 -6.5051000000e-03  1.9439000000e-03 -1.5600000000e-04 -9.1220000000e-04 -2.1942000000e-03  2.2540000000e-04 -4.2160000000e-04  5.8777000000e-03 -1.5802000000e-03 -5.0825000000e-03 -1.7527000000e-03
+
+JOB 5
+COORDS  9.1473000000e-02 -1.1685750000e+00  6.0364200000e-01 -8.3648000000e-02 -1.9593940000e+00  9.3574000000e-02  1.0329360000e+00 -1.1965920000e+00  7.7421300000e-01 -8.0716000000e-02  1.2331820000e+00 -6.1295200000e-01 -2.7591100000e-01  3.9202500000e-01 -1.9993000000e-01 -8.8128800000e-01  1.7461780000e+00 -5.0272200000e-01
+ENERGY -1.526610928145e+02
+FORCES  4.3808000000e-03  2.6625000000e-03 -3.3344000000e-03  1.2977000000e-03  4.3220000000e-03  2.3224000000e-03 -5.1838000000e-03 -1.2942000000e-03 -1.1771000000e-03 -1.0457000000e-03 -1.1915100000e-02  6.9500000000e-03 -1.2095000000e-03  9.6290000000e-03 -5.2332000000e-03  1.7606000000e-03 -3.4041000000e-03  4.7240000000e-04
+
+JOB 6
+COORDS -1.7930000000e-03  1.3056760000e+00  3.5043000000e-02 -9.2162800000e-01  1.5620280000e+00  1.0151300000e-01  4.6540200000e-01  1.9471890000e+00  5.7022700000e-01 -4.4548000000e-02 -1.3808990000e+00 -7.3696000000e-02  7.4190900000e-01 -1.9065220000e+00  7.2721000000e-02  2.7959600000e-01 -4.8524500000e-01 -1.6839300000e-01
+ENERGY -1.526598439464e+02
+FORCES -3.5066000000e-03 -4.5825000000e-03  2.8391000000e-03  5.1091000000e-03  7.9670000000e-04  1.2700000000e-04 -2.8395000000e-03 -2.6132000000e-03 -2.1902000000e-03  2.1823000000e-03  1.2371100000e-02  7.1910000000e-04 -1.5252000000e-03  3.5640000000e-03 -5.3000000000e-06  5.7990000000e-04 -9.5361000000e-03 -1.4897000000e-03
+
+JOB 7
+COORDS  5.5124300000e-01  5.1406300000e-01 -1.0831100000e+00  9.1872700000e-01  1.2436000000e+00 -5.8414800000e-01  1.2540050000e+00  2.5190700000e-01 -1.6777800000e+00 -6.3955500000e-01 -6.0866500000e-01  1.1044550000e+00 -1.2575400000e-01 -2.9623300000e-01  3.5972200000e-01 -7.8860900000e-01  1.7217700000e-01  1.6376540000e+00
+ENERGY -1.526581751102e+02
+FORCES  1.9185000000e-03 -1.1679000000e-03  1.3988000000e-03 -3.0745000000e-03 -6.0215000000e-03 -3.1460000000e-04 -3.2911000000e-03  2.6106000000e-03  3.2271000000e-03  4.8933000000e-03  5.9911000000e-03 -1.1598500000e-02 -2.2385000000e-03 -7.9800000000e-05  9.9190000000e-03  1.7923000000e-03 -1.3325000000e-03 -2.6317000000e-03
+
+JOB 8
+COORDS -6.7783400000e-01  1.0249000000e-02  1.2078000000e+00 -2.4783300000e-01 -8.4430500000e-01  1.2404850000e+00 -1.3636350000e+00 -9.1268000000e-02  5.4779700000e-01  6.9572700000e-01  9.7810000000e-02 -1.2041170000e+00  3.9653500000e-01 -2.9154000000e-02 -3.0378600000e-01  9.3871400000e-01 -7.7876200000e-01 -1.5021280000e+00
+ENERGY -1.526541224347e+02
+FORCES -3.5032000000e-03 -3.0099000000e-03 -3.5140000000e-03  1.4955000000e-03  7.2476000000e-03 -6.3648000000e-03  7.0569000000e-03  2.1940000000e-04  2.4258000000e-03 -3.1366000000e-03  2.9710000000e-04  1.0681700000e-02  5.5140000000e-04 -7.3139000000e-03 -6.9103000000e-03 -2.4640000000e-03  2.5597000000e-03  3.6817000000e-03
+
+JOB 9
+COORDS  8.0834200000e-01 -4.2706700000e-01  1.0291320000e+00  6.8960000000e-02 -9.8785700000e-01  1.2637840000e+00  5.7468600000e-01  4.3483100000e-01  1.3737600000e+00 -7.7339700000e-01  4.7372900000e-01 -1.0666110000e+00  4.4931000000e-02  1.7835300000e-01 -6.6745600000e-01 -1.1819760000e+00 -3.2650500000e-01 -1.3966420000e+00
+ENERGY -1.526586403853e+02
+FORCES -8.7156000000e-03  2.6887000000e-03  2.0035000000e-03  3.6784000000e-03  2.1042000000e-03 -2.3629000000e-03  1.7100000000e-03 -4.3610000000e-03 -3.7980000000e-03  8.4607000000e-03 -7.4402000000e-03  6.1013000000e-03 -6.3625000000e-03  4.9084000000e-03 -4.3381000000e-03  1.2291000000e-03  2.0999000000e-03  2.3942000000e-03
+
+JOB 10
+COORDS -1.4042400000e-01 -4.8397400000e-01 -1.2080280000e+00  1.6522200000e-01 -1.1056400000e-01 -2.0346940000e+00 -8.1350000000e-02 -1.4307450000e+00 -1.3359670000e+00  7.6565000000e-02  4.9689900000e-01  1.3155900000e+00 -4.4143000000e-02  2.6046500000e-01  3.9593800000e-01  8.8890300000e-01  1.0030310000e+00  1.3286310000e+00
+ENERGY -1.526602804557e+02
+FORCES  1.7616000000e-03 -4.0670000000e-04  3.9086000000e-03 -8.3940000000e-04 -2.8821000000e-03  3.8683000000e-03  5.9100000000e-05  5.0181000000e-03 -1.3814000000e-03  8.9610000000e-04 -4.0116000000e-03 -1.3725100000e-02  2.8670000000e-04  3.6321000000e-03  8.3063000000e-03 -2.1641000000e-03 -1.3497000000e-03 -9.7670000000e-04
+
+JOB 11
+COORDS -2.7715100000e-01 -1.2678570000e+00  3.0221900000e-01 -4.0995200000e-01 -1.8704030000e+00 -4.2958300000e-01  4.0321600000e-01 -1.6816470000e+00  8.3336000000e-01  1.9098200000e-01  1.3626100000e+00 -3.0644100000e-01  2.4401900000e-01  5.9684100000e-01  2.6541300000e-01  1.0808340000e+00  1.4744230000e+00 -6.4094500000e-01
+ENERGY -1.526564595283e+02
+FORCES -1.2900000000e-04  3.0360000000e-04 -6.3954000000e-03  1.1986000000e-03  9.4570000000e-04  4.6365000000e-03 -2.1042000000e-03  5.0106000000e-03 -3.3478000000e-03 -2.7010000000e-04 -1.2434500000e-02  1.9810000000e-03  4.0958000000e-03  7.6771000000e-03  1.9432000000e-03 -2.7911000000e-03 -1.5025000000e-03  1.1824000000e-03
+
+JOB 12
+COORDS -1.8880000000e-03  9.1884100000e-01 -1.0622830000e+00  1.2888900000e-01  1.9382000000e-02 -7.6211100000e-01 -7.3714300000e-01  8.6362700000e-01 -1.6726790000e+00  2.0955000000e-02 -8.6389300000e-01  1.0128940000e+00  4.9234000000e-01 -1.5510340000e+00  1.4839190000e+00 -1.2274100000e-01 -1.7986800000e-01  1.6668770000e+00
+ENERGY -1.526601089134e+02
+FORCES -1.0043000000e-03 -8.6890000000e-03  5.1964000000e-03 -2.6350000000e-04  5.4647000000e-03 -6.9455000000e-03  2.1875000000e-03 -6.1860000000e-04  2.6894000000e-03  1.5120000000e-04  5.3462000000e-03  2.1273000000e-03 -2.0220000000e-03  3.7771000000e-03 -1.9283000000e-03  9.5110000000e-04 -5.2803000000e-03 -1.1394000000e-03
+
+JOB 13
+COORDS  9.1794600000e-01  4.9738500000e-01 -9.6800700000e-01  7.0560300000e-01  5.0560000000e-02 -1.7874520000e+00  9.3302000000e-02  5.1253200000e-01 -4.8224500000e-01 -9.0009200000e-01 -4.1882900000e-01  9.6081900000e-01 -4.6057900000e-01 -4.6164900000e-01  1.8100690000e+00 -6.6452800000e-01 -1.2389490000e+00  5.2706300000e-01
+ENERGY -1.526589083915e+02
+FORCES -8.8746000000e-03 -1.3937000000e-03  5.5361000000e-03 -1.3440000000e-04 -1.7200000000e-05  4.1473000000e-03  5.8243000000e-03  2.1230000000e-04 -7.6167000000e-03  7.2714000000e-03 -3.3118000000e-03  1.3177000000e-03 -2.5465000000e-03 -5.5340000000e-04 -3.7828000000e-03 -1.5403000000e-03  5.0638000000e-03  3.9830000000e-04
+
+JOB 14
+COORDS  6.3508000000e-02 -1.1566390000e+00 -7.5077800000e-01  3.8721000000e-02 -1.7444780000e+00  4.2470000000e-03 -8.5244500000e-01 -1.0637100000e+00 -1.0127450000e+00  6.4240000000e-03  1.2470500000e+00  7.0848600000e-01 -1.2873500000e-01  5.0406500000e-01  1.2032200000e-01 -1.8116300000e-01  8.9997100000e-01  1.5805970000e+00
+ENERGY -1.526568009837e+02
+FORCES -1.3613000000e-03 -3.2579000000e-03  2.3824000000e-03 -7.7440000000e-04  4.9045000000e-03 -3.1803000000e-03  5.9648000000e-03  3.4085000000e-03  4.5283000000e-03  1.7094000000e-03 -1.2207400000e-02 -5.0547000000e-03 -5.9543000000e-03  7.2406000000e-03  4.4598000000e-03  4.1580000000e-04 -8.8200000000e-05 -3.1356000000e-03
+
+JOB 15
+COORDS -1.2905600000e+00  3.6374500000e-01 -2.3919000000e-01 -1.0886000000e+00  1.2775290000e+00 -4.4029300000e-01 -1.9000750000e+00  9.5727000000e-02 -9.2686000000e-01  1.3368510000e+00 -4.6434000000e-01  2.8824200000e-01  1.8203730000e+00  3.6123100000e-01  3.1774700000e-01  4.2428500000e-01 -2.0366800000e-01  1.6372400000e-01
+ENERGY -1.526594837044e+02
+FORCES  8.0400000000e-05 -3.5730000000e-04 -4.1020000000e-03  1.1024000000e-03 -5.6296000000e-03  1.1888000000e-03  2.3330000000e-03  2.9609000000e-03  3.2929000000e-03 -1.0907500000e-02  3.9957000000e-03 -1.9119000000e-03 -2.8642000000e-03 -1.6416000000e-03 -6.3080000000e-04  1.0255900000e-02  6.7180000000e-04  2.1630000000e-03
+
+JOB 16
+COORDS  7.1959400000e-01 -2.4804800000e-01  1.2070370000e+00  3.3327900000e-01 -3.0397000000e-01  3.3304300000e-01  1.6638590000e+00 -2.2950500000e-01  1.0513090000e+00 -7.2272600000e-01  1.9919800000e-01 -1.1169410000e+00 -3.5517800000e-01  5.5384900000e-01 -1.9264860000e+00 -1.5118610000e+00  7.1886000000e-01 -9.6380600000e-01
+ENERGY -1.526603509031e+02
+FORCES -4.2698000000e-03  1.7634000000e-03 -1.1150300000e-02  5.6282000000e-03 -2.6548000000e-03  7.8293000000e-03 -3.0764000000e-03  2.6320000000e-04 -8.4490000000e-04 -1.4700000000e-05  3.9430000000e-03  2.8399000000e-03 -1.9308000000e-03 -1.1825000000e-03  3.9503000000e-03  3.6634000000e-03 -2.1324000000e-03 -2.6243000000e-03
+
+JOB 17
+COORDS -8.7900100000e-01  1.0789940000e+00 -2.9672300000e-01 -3.2235900000e-01  4.8354300000e-01 -7.9853900000e-01 -1.7380130000e+00  6.5674300000e-01 -2.9077800000e-01  8.5945900000e-01 -9.6708300000e-01  3.1386200000e-01  1.6623050000e+00 -1.0740820000e+00  8.2398100000e-01  6.9455500000e-01 -1.8332830000e+00 -5.8610000000e-02
+ENERGY -1.526537064255e+02
+FORCES  5.3415000000e-03 -1.0217600000e-02  2.4157000000e-03 -4.6815000000e-03  3.4685000000e-03 -3.2035000000e-03  2.8336000000e-03  1.1311000000e-03 -2.8470000000e-04  1.1479000000e-03  1.7890000000e-04  2.7430000000e-03 -4.0571000000e-03 -1.5450000000e-04 -2.2949000000e-03 -5.8440000000e-04  5.5935000000e-03  6.2440000000e-04
+
+JOB 18
+COORDS -6.2315600000e-01  5.4155000000e-01  1.0493020000e+00 -7.0160300000e-01 -8.1595000000e-02  1.7716380000e+00 -1.0631520000e+00  1.3310130000e+00  1.3645540000e+00  6.1675700000e-01 -5.8111000000e-01 -1.1635950000e+00  1.5594940000e+00 -6.3056600000e-01 -1.0053810000e+00  2.8084800000e-01 -4.3949000000e-02 -4.4606100000e-01
+ENERGY -1.526610393194e+02
+FORCES -6.4590000000e-04 -1.5037000000e-03 -3.5700000000e-04  1.6920000000e-04  4.2994000000e-03 -2.5385000000e-03  1.6922000000e-03 -4.4717000000e-03  9.5100000000e-05 -3.0773000000e-03  5.8435000000e-03  8.9957000000e-03 -3.0773000000e-03  2.2750000000e-04  5.4010000000e-04  4.9391000000e-03 -4.3950000000e-03 -6.7354000000e-03
+
+JOB 19
+COORDS  7.5591300000e-01  2.0767500000e-01  1.2228320000e+00  1.1259000000e-01  1.2139100000e-01  5.1932500000e-01  1.3322190000e+00  9.1587200000e-01  9.3549800000e-01 -7.2313600000e-01 -2.1494100000e-01 -1.1105790000e+00 -6.5963800000e-01  6.3977000000e-02 -2.0240360000e+00 -1.2641360000e+00 -1.0041280000e+00 -1.1376790000e+00
+ENERGY -1.526601060223e+02
+FORCES -4.5683000000e-03  7.2560000000e-04 -1.1841600000e-02  2.3825000000e-03 -6.7300000000e-05  8.2757000000e-03 -1.3433000000e-03 -1.7617000000e-03  7.5420000000e-04  2.0810000000e-03 -7.2190000000e-04 -2.3000000000e-04 -1.1659000000e-03 -2.3915000000e-03  3.5754000000e-03  2.6140000000e-03  4.2169000000e-03 -5.3370000000e-04
+
+JOB 20
+COORDS -2.8447900000e-01  1.3919760000e+00 -2.2481100000e-01 -2.6340800000e-01  4.3822700000e-01 -1.4639000000e-01 -1.2156080000e+00  1.6081490000e+00 -2.7480500000e-01  3.3689100000e-01 -1.2875540000e+00  1.8293500000e-01  1.1335130000e+00 -1.7166880000e+00  4.9513600000e-01 -3.7623300000e-01 -1.8229190000e+00  5.3088800000e-01
+ENERGY -1.526596154546e+02
+FORCES  1.7189000000e-03 -1.0384400000e-02  1.1893000000e-03 -5.7932000000e-03  8.2605000000e-03 -1.4807000000e-03  2.7139000000e-03 -2.6265000000e-03  6.6580000000e-04  2.9605000000e-03  1.2800000000e-03  2.3876000000e-03 -4.7429000000e-03 -1.8410000000e-04 -9.9880000000e-04  3.1428000000e-03  3.6545000000e-03 -1.7631000000e-03
+
+JOB 21
+COORDS -6.7899000000e-01 -1.1543660000e+00 -5.5014000000e-01 -1.2649420000e+00 -1.5375300000e+00  1.0260600000e-01 -1.4737600000e-01 -5.2894900000e-01 -5.7725000000e-02  7.4685600000e-01  1.1204700000e+00  4.6196800000e-01  1.3248200000e-01  6.5410600000e-01  1.0287850000e+00  2.7753000000e-01  1.9123660000e+00  1.9954600000e-01
+ENERGY -1.526508103718e+02
+FORCES  4.8908000000e-03  4.8962000000e-03  1.9677000000e-03  3.3096000000e-03  4.0253000000e-03 -1.2094000000e-03 -6.5073000000e-03 -1.4731000000e-03  8.6102000000e-03 -6.2904000000e-03  3.4274000000e-03 -9.9130000000e-04  1.6473000000e-03 -7.1423000000e-03 -1.0646600000e-02  2.9502000000e-03 -3.7335000000e-03  2.2694000000e-03
+
+JOB 22
+COORDS -7.6349000000e-01  1.0034200000e+00 -6.4792500000e-01 -1.5571800000e+00  9.5718600000e-01 -1.1486600000e-01 -8.0091900000e-01  2.2392700000e-01 -1.2022010000e+00  8.8759800000e-01 -9.4469500000e-01  6.3869700000e-01  3.7332900000e-01 -1.6940660000e+00  9.3903500000e-01  2.3780500000e-01 -2.6720000000e-01  4.5161100000e-01
+ENERGY -1.526574348761e+02
+FORCES -3.2627000000e-03 -1.7926000000e-03 -3.9433000000e-03  6.3972000000e-03 -2.1894000000e-03 -1.1160000000e-03  8.1920000000e-04  3.0725000000e-03  6.7100000000e-03 -5.8907000000e-03  7.1927000000e-03 -1.5947000000e-03  2.5010000000e-04  3.8118000000e-03 -2.3373000000e-03  1.6868000000e-03 -1.0094900000e-02  2.2813000000e-03
+
+JOB 23
+COORDS -3.9117500000e-01  3.8893800000e-01  1.3705060000e+00  2.5215600000e-01  4.2059300000e-01  6.6244200000e-01 -9.4385500000e-01 -3.6346000000e-01  1.1591440000e+00  3.9301400000e-01 -3.4913800000e-01 -1.2435740000e+00  1.0203590000e+00 -4.7058000000e-02 -1.9003980000e+00 -3.7023000000e-01 -6.2640400000e-01 -1.7503430000e+00
+ENERGY -1.526583957129e+02
+FORCES  2.6615000000e-03 -5.5731000000e-03 -1.1779100000e-02  3.3810000000e-04  3.2938000000e-03  6.5366000000e-03 -4.8370000000e-04  1.9690000000e-03  1.6477000000e-03 -3.1357000000e-03  6.2910000000e-04 -1.8753000000e-03 -3.3100000000e-03 -9.8950000000e-04  3.3689000000e-03  3.9298000000e-03  6.7070000000e-04  2.1012000000e-03
+
+JOB 24
+COORDS  3.8254600000e-01 -1.3915410000e+00 -5.8538000000e-02  3.6540700000e-01 -1.9227020000e+00  7.3758200000e-01 -8.0114000000e-02 -5.8797800000e-01  1.7908400000e-01 -3.7629500000e-01  1.3384720000e+00  5.4669000000e-02  3.1846200000e-01  1.1486060000e+00 -5.7580300000e-01 -7.3865700000e-01  2.1765420000e+00 -2.3266900000e-01
+ENERGY -1.526598471552e+02
+FORCES -4.4032000000e-03  4.2724000000e-03  4.8760000000e-03 -4.7690000000e-04  1.9825000000e-03 -2.4397000000e-03  7.0801000000e-03 -3.9125000000e-03 -4.1513000000e-03  4.5460000000e-04  2.0584000000e-03 -3.5198000000e-03 -5.7856000000e-03 -1.4098000000e-03  4.7645000000e-03  3.1310000000e-03 -2.9911000000e-03  4.7030000000e-04
+
+JOB 25
+COORDS -6.3333100000e-01 -8.0754100000e-01  9.3713900000e-01 -7.7353400000e-01 -1.5560960000e+00  3.5727600000e-01 -3.5746500000e-01 -1.1955890000e+00  1.7675300000e+00  6.5877100000e-01  9.3689400000e-01 -9.6583800000e-01  6.2009800000e-01  4.5307200000e-01 -1.4082100000e-01  1.1721500000e-01  4.2726800000e-01 -1.5685250000e+00
+ENERGY -1.526582562304e+02
+FORCES -1.0650000000e-03 -4.2325000000e-03  3.5530000000e-04  1.4541000000e-03  4.4622000000e-03  2.0918000000e-03 -7.7350000000e-04  2.0678000000e-03 -4.6544000000e-03 -6.9343000000e-03 -7.2528000000e-03  6.5918000000e-03  5.4270000000e-03  3.9784000000e-03 -5.0272000000e-03  1.8915000000e-03  9.7700000000e-04  6.4270000000e-04
+
+JOB 26
+COORDS -7.2623100000e-01  1.1449260000e+00  6.4765900000e-01 -6.2356300000e-01  7.5625700000e-01 -2.2103500000e-01 -1.1627000000e-02  7.7158200000e-01  1.1635930000e+00  6.3468400000e-01 -1.0518410000e+00 -6.4566200000e-01  1.4963080000e+00 -1.2134000000e+00 -1.0300260000e+00  5.3154500000e-01 -1.7410850000e+00  1.0491000000e-02
+ENERGY -1.526585904503e+02
+FORCES  7.4337000000e-03 -8.0457000000e-03 -5.2109000000e-03 -3.9556000000e-03  4.7258000000e-03  2.0737000000e-03 -2.5595000000e-03  1.6940000000e-03  1.7906000000e-03  1.4676000000e-03 -2.8993000000e-03  1.3581000000e-03 -3.9025000000e-03  6.7930000000e-04  2.5632000000e-03  1.5162000000e-03  3.8460000000e-03 -2.5747000000e-03
+
+JOB 27
+COORDS  6.5325500000e-01  1.1831190000e+00  5.5497900000e-01  1.4198090000e+00  6.9775100000e-01  2.4994800000e-01  4.1143000000e-01  1.7396960000e+00 -1.8527400000e-01 -6.7772900000e-01 -1.2421900000e+00 -4.5981000000e-01 -4.8266000000e-02 -5.2194700000e-01 -4.9528400000e-01 -1.3986740000e+00 -9.5874800000e-01 -1.0220640000e+00
+ENERGY -1.526529508042e+02
+FORCES  2.4586000000e-03  2.0363000000e-03 -1.1002000000e-03 -7.8860000000e-03 -3.5810000000e-04 -8.5880000000e-04  9.5700000000e-05 -5.5207000000e-03  2.7646000000e-03  3.4090000000e-04  9.3045000000e-03  2.4040000000e-03  2.0693000000e-03 -4.9014000000e-03 -5.0743000000e-03  2.9215000000e-03 -5.6060000000e-04  1.8647000000e-03
+
+JOB 28
+COORDS -8.3761600000e-01  7.1684500000e-01 -9.4212500000e-01 -1.1029990000e+00  7.5288000000e-02 -2.8318000000e-01 -1.3755560000e+00  5.1193500000e-01 -1.7068890000e+00  9.4388400000e-01 -6.8698800000e-01  9.5845200000e-01  5.1093900000e-01 -6.3790800000e-01  1.0617200000e-01  2.9289200000e-01 -3.5685500000e-01  1.5776890000e+00
+ENERGY -1.526518713056e+02
+FORCES -4.5319000000e-03 -1.4251000000e-03 -5.8710000000e-04  7.9915000000e-03  8.9300000000e-05 -1.6479000000e-03  3.0880000000e-03  6.9160000000e-04  4.1645000000e-03 -2.8042000000e-03  5.8177000000e-03 -3.7791000000e-03 -4.5346000000e-03 -2.9564000000e-03  5.7686000000e-03  7.9120000000e-04 -2.2170000000e-03 -3.9190000000e-03
+
+JOB 29
+COORDS -5.6907900000e-01 -5.7237500000e-01 -1.1594330000e+00  5.4149000000e-02 -1.1232210000e+00 -1.6331280000e+00 -8.4567700000e-01  8.2722000000e-02 -1.8001930000e+00  6.0945000000e-01  5.5831100000e-01  1.2574340000e+00 -5.8688000000e-02  1.2177960000e+00  1.4442620000e+00  2.2842300000e-01  2.0628000000e-02  5.6321000000e-01
+ENERGY -1.526609825050e+02
+FORCES  1.7560000000e-03  2.0633000000e-03 -4.4698000000e-03 -2.9828000000e-03  3.2284000000e-03  2.4846000000e-03  1.1983000000e-03 -3.6065000000e-03  2.5470000000e-03 -7.2043000000e-03 -2.6111000000e-03 -8.0304000000e-03  2.0935000000e-03 -1.4178000000e-03 -6.9630000000e-04  5.1394000000e-03  2.3438000000e-03  8.1649000000e-03
+
+JOB 30
+COORDS  2.4239400000e-01  2.5065500000e-01 -1.4868190000e+00 -2.6279400000e-01  5.5999800000e-01 -7.3493900000e-01  7.9148400000e-01 -4.5008100000e-01 -1.1351060000e+00 -2.2642700000e-01 -1.7058400000e-01  1.4625330000e+00  3.3982700000e-01 -8.7378100000e-01  1.1445660000e+00 -1.0912500000e+00 -3.8109000000e-01  1.1103970000e+00
+ENERGY -1.526537270522e+02
+FORCES  1.4838000000e-03  2.3170000000e-04  9.6365000000e-03 -1.9921000000e-03 -2.3759000000e-03 -5.5043000000e-03 -2.1343000000e-03  3.2170000000e-04 -5.1730000000e-04 -8.2400000000e-04 -5.7221000000e-03 -1.5850000000e-03 -1.8793000000e-03  4.1671000000e-03 -1.1770000000e-03  5.3458000000e-03  3.3774000000e-03 -8.5300000000e-04
+
+JOB 31
+COORDS  2.7926800000e-01 -1.2047560000e+00  8.8765300000e-01  5.6461800000e-01 -1.8586600000e+00  2.4951800000e-01 -2.7852000000e-02 -4.6966300000e-01  3.5704200000e-01 -3.2449900000e-01  1.1540810000e+00 -7.8528600000e-01 -8.2800000000e-04  1.0831550000e+00 -1.6833060000e+00  1.1789100000e-01  1.9254260000e+00 -4.3095600000e-01
+ENERGY -1.526612322003e+02
+FORCES -2.1048000000e-03  5.9822000000e-03 -7.6794000000e-03 -7.2370000000e-04  2.2414000000e-03  1.5043000000e-03  2.5409000000e-03 -8.2478000000e-03  6.1512000000e-03  3.4837000000e-03  3.7024000000e-03 -2.0918000000e-03 -1.1319000000e-03  1.9170000000e-04  4.5884000000e-03 -2.0642000000e-03 -3.8699000000e-03 -2.4727000000e-03
+
+JOB 32
+COORDS -2.0901200000e-01 -5.4644500000e-01 -1.3070940000e+00 -8.8114500000e-01 -1.3736100000e-01 -1.8521810000e+00  6.0053000000e-01 -4.4485200000e-01 -1.8076450000e+00  2.0472500000e-01  4.5968100000e-01  1.4160590000e+00  1.1445900000e-01  1.3859190000e+00  1.6400400000e+00  2.5112000000e-01  4.4737000000e-01  4.6006300000e-01
+ENERGY -1.526588902012e+02
+FORCES -1.7385000000e-03 -1.0456000000e-03 -5.3781000000e-03  3.9962000000e-03 -1.4473000000e-03  2.7082000000e-03 -4.1246000000e-03  1.1883000000e-03  4.1073000000e-03 -1.7244000000e-03 -6.4930000000e-04 -7.7277000000e-03 -4.6500000000e-05 -3.2295000000e-03 -2.0605000000e-03  3.6378000000e-03  5.1834000000e-03  8.3507000000e-03
+
+JOB 33
+COORDS  5.7526400000e-01 -1.1112830000e+00  7.0576500000e-01  1.0335570000e+00 -1.5803260000e+00  1.4030430000e+00  1.4426000000e-01 -1.7983490000e+00  1.9742700000e-01 -5.8066900000e-01  1.2395490000e+00 -7.1955000000e-01 -4.4634000000e-02  7.2636900000e-01 -1.1494700000e-01 -1.0342870000e+00  5.8609800000e-01 -1.2519640000e+00
+ENERGY -1.526593765422e+02
+FORCES  3.9620000000e-04 -4.2891000000e-03  1.4022000000e-03 -2.4242000000e-03  9.6140000000e-04 -3.5779000000e-03  1.7546000000e-03  3.5906000000e-03  2.1006000000e-03  2.7729000000e-03 -7.9146000000e-03  3.5395000000e-03 -3.6045000000e-03  6.0382000000e-03 -4.7281000000e-03  1.1050000000e-03  1.6135000000e-03  1.2637000000e-03
+
+JOB 34
+COORDS  7.6916000000e-02  2.6170200000e-01  1.4357550000e+00 -8.3390900000e-01  1.9675600000e-01  1.7228300000e+00  5.2030000000e-01 -4.6183400000e-01  1.8786310000e+00 -8.8375000000e-02 -1.7188900000e-01 -1.5253130000e+00  1.6225800000e-01 -1.0826210000e+00 -1.6801760000e+00  3.1155800000e-01  4.7301000000e-02 -6.8374200000e-01
+ENERGY -1.526597632184e+02
+FORCES -4.7914000000e-03 -2.5887000000e-03  3.3986000000e-03  4.8545000000e-03 -9.4100000000e-05  4.9200000000e-05 -2.1017000000e-03  2.8365000000e-03 -3.3488000000e-03  2.3666000000e-03 -7.8310000000e-04  8.2494000000e-03 -8.4130000000e-04  2.8115000000e-03  1.0806000000e-03  5.1340000000e-04 -2.1821000000e-03 -9.4290000000e-03
+
+JOB 35
+COORDS -1.2524220000e+00 -8.8067000000e-01 -1.6436600000e-01 -1.0617330000e+00 -1.6126290000e+00  4.2224000000e-01 -8.0849200000e-01 -1.3198700000e-01  2.3392000000e-01  1.1573770000e+00  8.5346800000e-01  1.1559700000e-01  1.5880750000e+00  1.4353490000e+00  7.4181200000e-01  1.7914140000e+00  7.5359600000e-01 -5.9451200000e-01
+ENERGY -1.526593381285e+02
+FORCES  7.1572000000e-03  3.1382000000e-03  3.7130000000e-03 -8.6850000000e-04  2.0805000000e-03 -1.9404000000e-03 -7.1939000000e-03 -4.2083000000e-03  8.2800000000e-05  4.4473000000e-03  5.0640000000e-04 -3.2077000000e-03 -2.0844000000e-03 -3.0517000000e-03 -2.7415000000e-03 -1.4579000000e-03  1.5349000000e-03  4.0939000000e-03
+
+JOB 36
+COORDS -8.6995500000e-01 -9.8305100000e-01 -8.1383600000e-01 -3.6601100000e-01 -2.6905400000e-01 -4.2334800000e-01 -3.0932800000e-01 -1.3176560000e+00 -1.5138140000e+00  8.0725900000e-01  9.0415200000e-01  8.0375400000e-01  9.5353000000e-02  1.4686960000e+00  1.1049410000e+00  1.6046480000e+00  1.3880490000e+00  1.0188020000e+00
+ENERGY -1.526599187011e+02
+FORCES  8.0281000000e-03  3.4615000000e-03  1.6391000000e-03 -7.7388000000e-03 -3.0080000000e-03 -3.3591000000e-03 -1.9439000000e-03  7.7480000000e-04  1.9132000000e-03  2.3321000000e-03  3.5955000000e-03  2.6965000000e-03  3.3712000000e-03 -3.4321000000e-03 -2.9210000000e-03 -4.0488000000e-03 -1.3917000000e-03  3.1300000000e-05
+
+JOB 37
+COORDS -6.1434400000e-01 -1.0427070000e+00 -9.4177700000e-01 -1.5629800000e-01 -3.4238800000e-01 -1.4065120000e+00 -1.4703470000e+00 -6.7033900000e-01 -7.3003800000e-01  6.4987200000e-01  9.7809100000e-01  8.8600400000e-01  8.6769500000e-01  1.6823480000e+00  1.4965830000e+00  2.5948700000e-01  2.9739900000e-01  1.4341740000e+00
+ENERGY -1.526569890328e+02
+FORCES  6.8250000000e-04  7.8041000000e-03 -6.9640000000e-04 -2.9349000000e-03 -4.4753000000e-03 -6.9240000000e-04  2.8584000000e-03 -2.2693000000e-03  1.0880000000e-04 -5.5680000000e-04 -2.8508000000e-03  4.4155000000e-03 -1.4418000000e-03 -3.3415000000e-03 -2.7746000000e-03  1.3926000000e-03  5.1327000000e-03 -3.6090000000e-04
+
+JOB 38
+COORDS -3.3216400000e-01  3.9709300000e-01  1.4164800000e+00  2.2618000000e-02  1.2847820000e+00  1.3678120000e+00  4.0304500000e-01 -1.3926200000e-01  1.7131660000e+00  2.5432900000e-01 -4.6265400000e-01 -1.4813820000e+00  6.5851800000e-01  4.0140700000e-01 -1.5605000000e+00  5.1135000000e-02 -5.4817000000e-01 -5.4991400000e-01
+ENERGY -1.526574849386e+02
+FORCES  3.3783000000e-03  3.9480000000e-03  3.6222000000e-03 -1.1333000000e-03 -4.7047000000e-03 -5.2660000000e-04 -3.8864000000e-03  2.0257000000e-03 -4.8164000000e-03 -2.3699000000e-03  5.3144000000e-03  7.6740000000e-03 -5.2560000000e-04 -2.6171000000e-03 -1.3210000000e-04  4.5368000000e-03 -3.9663000000e-03 -5.8212000000e-03
+
+JOB 39
+COORDS -8.8745200000e-01  9.9592000000e-01 -7.8720000000e-01 -2.2844700000e-01  3.7549100000e-01 -4.7573300000e-01 -3.8868400000e-01  1.6506020000e+00 -1.2759280000e+00  8.5057100000e-01 -9.7145000000e-01  7.5091400000e-01  3.6336000000e-01 -5.1852300000e-01  1.4391830000e+00  6.7396700000e-01 -1.8998300000e+00  9.0307700000e-01
+ENERGY -1.526610222038e+02
+FORCES  6.6229000000e-03 -3.4506000000e-03 -3.6720000000e-04 -6.3141000000e-03  7.7059000000e-03 -8.6520000000e-04 -1.4465000000e-03 -2.3868000000e-03  1.8845000000e-03 -1.8195000000e-03 -4.4910000000e-03  4.8332000000e-03  1.9854000000e-03 -1.7814000000e-03 -5.7988000000e-03  9.7170000000e-04  4.4038000000e-03  3.1360000000e-04
+
+JOB 40
+COORDS -1.3798890000e+00  2.9545800000e-01 -5.9782300000e-01 -1.6159850000e+00  1.1186820000e+00 -1.0253660000e+00 -5.8104000000e-01  4.9831300000e-01 -1.1107600000e-01  1.3555630000e+00 -3.9153000000e-01  5.3664200000e-01  1.3517900000e+00  5.6041300000e-01  6.3675100000e-01  1.2373510000e+00 -7.2677400000e-01  1.4253880000e+00
+ENERGY -1.526538385486e+02
+FORCES  5.2893000000e-03  3.2160000000e-04  6.0330000000e-04  2.2378000000e-03 -3.1034000000e-03  2.1983000000e-03 -4.5811000000e-03  5.4406000000e-03 -4.9810000000e-04  2.0754000000e-03 -2.7520000000e-04  4.7963000000e-03 -5.4854000000e-03 -4.5840000000e-03 -2.4981000000e-03  4.6400000000e-04  2.2003000000e-03 -4.6017000000e-03
+
+JOB 41
+COORDS -3.7541400000e-01 -1.3160450000e+00  7.1717600000e-01 -4.1471500000e-01 -6.0136000000e-01  8.1635000000e-02 -1.2185580000e+00 -1.2820080000e+00  1.1690390000e+00  4.2228400000e-01  1.2247470000e+00 -6.6634200000e-01  1.2880400000e-01  2.1216080000e+00 -5.0589800000e-01  7.5574500000e-01  1.2382270000e+00 -1.5634780000e+00
+ENERGY -1.526596332560e+02
+FORCES -7.4240000000e-04  7.2353000000e-03 -2.6500000000e-03 -3.1182000000e-03 -8.5740000000e-03  3.1089000000e-03  2.7918000000e-03  4.7250000000e-04 -1.5307000000e-03  1.7220000000e-03  4.7451000000e-03 -1.8714000000e-03  1.4337000000e-03 -3.9942000000e-03 -1.3743000000e-03 -2.0869000000e-03  1.1530000000e-04  4.3176000000e-03
+
+JOB 42
+COORDS -4.4352600000e-01  4.1484700000e-01 -1.3680560000e+00 -1.1825270000e+00  8.6105900000e-01 -9.5452900000e-01 -7.7684500000e-01  1.3942200000e-01 -2.2220300000e+00  4.9872000000e-01 -4.4098800000e-01  1.4591470000e+00  1.2524390000e+00 -5.5720000000e-02  1.0122590000e+00 -1.6255000000e-01 -5.3833400000e-01  7.7396300000e-01
+ENERGY -1.526587130463e+02
+FORCES -3.9815000000e-03  2.0159000000e-03 -4.0501000000e-03  3.7887000000e-03 -4.0761000000e-03 -9.1960000000e-04  1.1979000000e-03  1.6303000000e-03  4.0916000000e-03  9.0410000000e-04  1.4297000000e-03 -9.3329000000e-03 -1.2755000000e-03 -1.2321000000e-03  3.7568000000e-03 -6.3380000000e-04  2.3220000000e-04  6.4542000000e-03
+
+JOB 43
+COORDS  2.4907800000e-01 -1.4733620000e+00  1.5217700000e-01  1.6005400000e-01 -2.0682850000e+00  8.9674000000e-01  1.1495530000e+00 -1.5974150000e+00 -1.4780300000e-01 -2.7924100000e-01  1.5803530000e+00 -1.6881600000e-01 -8.0043200000e-01  1.2154240000e+00 -8.8395100000e-01 -7.3944000000e-02  8.2826700000e-01  3.8656800000e-01
+ENERGY -1.526600002718e+02
+FORCES  3.7396000000e-03 -4.9284000000e-03  4.8680000000e-04  7.7500000000e-04  3.2273000000e-03 -3.3264000000e-03 -4.4220000000e-03  4.5580000000e-04  1.9586000000e-03 -1.2550000000e-03 -9.4049000000e-03 -4.8830000000e-04  1.3437000000e-03  3.0306000000e-03  1.3815000000e-03 -1.8120000000e-04  7.6196000000e-03 -1.2200000000e-05
+
+JOB 44
+COORDS -4.2954900000e-01  1.4400240000e+00  1.6762400000e-01 -9.9533800000e-01  2.2109050000e+00  2.1071200000e-01  4.2386000000e-01  1.7515440000e+00  4.6908900000e-01  4.5661700000e-01 -1.5536090000e+00 -2.1839900000e-01 -1.9610600000e-01 -9.9311600000e-01 -6.3796000000e-01  4.1083400000e-01 -1.3223270000e+00  7.0931000000e-01
+ENERGY -1.526585927241e+02
+FORCES  1.9772000000e-03  5.4076000000e-03  1.0939000000e-03  2.8161000000e-03 -3.3222000000e-03 -1.6070000000e-04 -4.4135000000e-03 -1.0974000000e-03 -5.0250000000e-04 -4.8543000000e-03  6.7525000000e-03  2.2920000000e-03  2.5954000000e-03 -5.6044000000e-03 -3.0790000000e-04  1.8791000000e-03 -2.1361000000e-03 -2.4148000000e-03
+
+JOB 45
+COORDS  1.1920590000e+00 -7.5607900000e-01  5.5612000000e-01  2.0330470000e+00 -9.5046000000e-01  9.6986800000e-01  7.7643600000e-01 -1.6110240000e+00  4.4405400000e-01 -1.2342600000e+00  8.7626600000e-01 -5.5539100000e-01 -3.6055500000e-01  4.8856400000e-01 -5.0481200000e-01 -1.7824900000e+00  1.8490000000e-01 -9.2645500000e-01
+ENERGY -1.526583886638e+02
+FORCES  3.3380000000e-03 -3.8449000000e-03  3.3096000000e-03 -3.9713000000e-03 -3.2140000000e-04 -1.4814000000e-03  1.4954000000e-03  4.4542000000e-03 -6.4830000000e-04  4.5629000000e-03 -4.3115000000e-03  6.5780000000e-04 -7.6071000000e-03  2.2197000000e-03 -3.4750000000e-03  2.1820000000e-03  1.8040000000e-03  1.6373000000e-03
+
+JOB 46
+COORDS -1.6107540000e+00 -5.2164000000e-02  3.0594000000e-01 -9.2414000000e-01 -5.1058300000e-01  7.9034200000e-01 -1.3843290000e+00  8.7428500000e-01  3.8752400000e-01  1.5224080000e+00 -3.4406000000e-02 -3.1881100000e-01  1.0989060000e+00  7.9282400000e-01 -5.4809100000e-01  2.4561930000e+00  1.2932000000e-01 -4.5098600000e-01
+ENERGY -1.526556172715e+02
+FORCES  5.4768000000e-03 -1.9600000000e-05  2.7757000000e-03 -5.3960000000e-03  2.4182000000e-03 -9.4130000000e-04  1.1500000000e-05 -2.9093000000e-03 -1.6803000000e-03  2.4416000000e-03  3.6143000000e-03 -3.3395000000e-03  1.8381000000e-03 -2.6396000000e-03  2.8456000000e-03 -4.3721000000e-03 -4.6410000000e-04  3.3980000000e-04
+
+JOB 47
+COORDS -4.8036800000e-01  1.0461700000e-01  1.5598660000e+00 -1.3630600000e-01 -1.3839800000e-01  7.0033400000e-01  7.6704000000e-02 -3.6283300000e-01  2.1822750000e+00  4.1619100000e-01 -4.0057000000e-02 -1.4883080000e+00 -1.5078400000e-01 -4.7012500000e-01 -2.1284740000e+00  1.2920030000e+00 -9.0533000000e-02 -1.8712410000e+00
+ENERGY -1.526602895769e+02
+FORCES  4.0664000000e-03 -1.9816000000e-03 -4.6796000000e-03 -2.9862000000e-03 -3.0290000000e-04  9.3209000000e-03 -1.6204000000e-03  1.5503000000e-03 -2.3658000000e-03  1.4848000000e-03 -8.4020000000e-04 -6.3224000000e-03  3.2187000000e-03  1.7783000000e-03  2.7364000000e-03 -4.1633000000e-03 -2.0390000000e-04  1.3104000000e-03
+
+JOB 48
+COORDS  3.5614000000e-02  4.6930000000e-01  1.5302990000e+00  6.0405000000e-01 -2.7826000000e-01  1.7154120000e+00 -7.7919800000e-01  2.7133000000e-01  1.9919500000e+00 -6.7216000000e-02 -4.0613600000e-01 -1.6159160000e+00  7.9223300000e-01  1.5243000000e-02 -1.6115070000e+00 -8.7173000000e-02 -9.1903900000e-01 -8.0797800000e-01
+ENERGY -1.526540360443e+02
+FORCES -2.0995000000e-03 -1.7925000000e-03  3.8996000000e-03 -2.8191000000e-03  2.5920000000e-03 -3.3050000000e-03  3.9508000000e-03  3.2870000000e-04 -2.1696000000e-03  2.9714000000e-03  2.8371000000e-03  6.9622000000e-03 -2.5023000000e-03 -2.5413000000e-03 -1.3507000000e-03  4.9880000000e-04 -1.4240000000e-03 -4.0364000000e-03
+
+JOB 49
+COORDS  1.3307430000e+00 -9.0492700000e-01  4.8227800000e-01  1.0175120000e+00 -3.8517700000e-01  1.2225330000e+00  5.5386300000e-01 -1.0435240000e+00 -5.9459000000e-02 -1.2337210000e+00  8.3386700000e-01 -5.0175400000e-01 -1.6171660000e+00  1.3681970000e+00 -1.1972340000e+00 -1.5769870000e+00  1.2116010000e+00  3.0800900000e-01
+ENERGY -1.526570269536e+02
+FORCES -6.9061000000e-03  4.1463000000e-03 -1.3403000000e-03  1.6893000000e-03 -2.1155000000e-03 -1.0270000000e-03  4.8945000000e-03 -2.8779000000e-03  2.7965000000e-03 -3.0626000000e-03  5.0316000000e-03 -6.7350000000e-04  1.3224000000e-03 -2.1108000000e-03  3.3464000000e-03  2.0624000000e-03 -2.0738000000e-03 -3.1021000000e-03
+
+JOB 50
+COORDS -1.7987300000e-01  1.0976720000e+00  1.1384410000e+00 -4.7728200000e-01  1.8469910000e+00  6.2239800000e-01  4.8316800000e-01  1.4592780000e+00  1.7265310000e+00  1.3085000000e-01 -1.2048370000e+00 -1.1851220000e+00 -3.1074500000e-01 -7.6025600000e-01 -4.6153800000e-01  1.0301950000e+00 -8.7856600000e-01 -1.1541970000e+00
+ENERGY -1.526592250029e+02
+FORCES  1.6917000000e-03  5.7677000000e-03  2.0943000000e-03  1.6811000000e-03 -3.8438000000e-03  2.2084000000e-03 -2.9039000000e-03 -9.7890000000e-04 -2.9493000000e-03  1.9265000000e-03  4.9749000000e-03  6.1976000000e-03 -8.6200000000e-05 -4.1914000000e-03 -6.1179000000e-03 -2.3093000000e-03 -1.7285000000e-03 -1.4330000000e-03
+
+JOB 51
+COORDS  1.2615000000e+00  7.4725800000e-01 -7.0053800000e-01  1.9836520000e+00  4.4368400000e-01 -1.5047300000e-01  1.0061210000e+00  1.5872890000e+00 -3.1927800000e-01 -1.2969680000e+00 -8.3720900000e-01  6.7576200000e-01 -5.1334100000e-01 -4.3411900000e-01  3.0202600000e-01 -2.0021300000e+00 -2.2156100000e-01  4.7587000000e-01
+ENERGY -1.526592994646e+02
+FORCES  6.0108000000e-03  4.3704000000e-03  1.6459000000e-03 -4.5255000000e-03  1.3148000000e-03 -2.2771000000e-03 -1.0580000000e-04 -5.1472000000e-03 -1.2968000000e-03  2.5843000000e-03  4.4198000000e-03 -4.9677000000e-03 -6.4523000000e-03 -3.1803000000e-03  5.7727000000e-03  2.4885000000e-03 -1.7775000000e-03  1.1229000000e-03
+
+JOB 52
+COORDS -9.7895400000e-01  9.8107000000e-01 -8.3087700000e-01 -1.6721130000e+00  1.5955150000e+00 -5.8959000000e-01 -1.7697100000e-01  1.5031360000e+00 -8.0847800000e-01  1.0239220000e+00 -1.0375960000e+00  8.6221800000e-01  9.5551800000e-01 -1.6231830000e+00  1.0813600000e-01  2.2845600000e-01 -5.0638100000e-01  8.2648800000e-01
+ENERGY -1.526591872187e+02
+FORCES -2.6050000000e-04  6.4131000000e-03 -1.4979000000e-03  3.4675000000e-03 -2.7232000000e-03 -7.5310000000e-04 -4.3599000000e-03 -2.8483000000e-03  7.3200000000e-04 -6.0283000000e-03  1.0920000000e-04 -4.6163000000e-03  1.3680000000e-03  1.5684000000e-03  2.9999000000e-03  5.8132000000e-03 -2.5192000000e-03  3.1354000000e-03
+
+JOB 53
+COORDS -7.9803300000e-01  1.1335810000e+00 -9.9336300000e-01 -1.5537620000e+00  6.5873900000e-01 -1.3392420000e+00 -1.3469500000e-01  4.5825000000e-01 -8.5144100000e-01  7.6086900000e-01 -1.1101050000e+00  9.8021100000e-01  1.7089740000e+00 -1.0657250000e+00  8.5627400000e-01  5.6085600000e-01 -3.7939800000e-01  1.5652700000e+00
+ENERGY -1.526588151091e+02
+FORCES  8.5200000000e-05 -6.9195000000e-03 -1.4790000000e-04  2.5328000000e-03  2.2000000000e-03  1.0404000000e-03 -2.7179000000e-03  6.2047000000e-03 -2.5348000000e-03  3.2732000000e-03  1.7063000000e-03  5.4965000000e-03 -4.7185000000e-03  4.8150000000e-04 -3.8330000000e-04  1.5452000000e-03 -3.6731000000e-03 -3.4709000000e-03
+
+JOB 54
+COORDS  6.1700000000e-03 -7.7974100000e-01 -1.4585170000e+00 -6.6017300000e-01 -1.1072830000e+00 -8.5441900000e-01  2.0502000000e-01 -1.5259740000e+00 -2.0240480000e+00 -1.5480000000e-03  8.5220200000e-01  1.5194240000e+00 -5.9476000000e-02  1.4119860000e+00  7.4513900000e-01  4.5790000000e-01  6.9317000000e-02  1.2157310000e+00
+ENERGY -1.526576166267e+02
+FORCES -2.7768000000e-03 -4.9823000000e-03 -1.9682000000e-03  4.4774000000e-03  1.5232000000e-03 -2.1897000000e-03 -1.1079000000e-03  3.0372000000e-03  2.7533000000e-03  3.5298000000e-03 -1.5340000000e-04 -6.0957000000e-03 -7.7290000000e-04 -1.4164000000e-03  4.3700000000e-03 -3.3496000000e-03  1.9917000000e-03  3.1303000000e-03
+
+JOB 55
+COORDS -6.1695700000e-01  1.6107910000e+00  1.2970800000e-01 -4.3935600000e-01  2.3179010000e+00 -4.9052200000e-01  7.0092000000e-02  9.6587100000e-01 -3.8444000000e-02  5.4381100000e-01 -1.5783710000e+00 -3.4875000000e-02  1.4411230000e+00 -1.5267800000e+00 -3.6411700000e-01  1.3436300000e-01 -2.2654380000e+00 -5.6072900000e-01
+ENERGY -1.526568380217e+02
+FORCES  3.3817000000e-03 -2.5688000000e-03 -2.4713000000e-03 -4.5060000000e-04 -3.0279000000e-03  2.1532000000e-03 -1.6315000000e-03  7.3717000000e-03  2.2000000000e-05  5.8990000000e-04 -5.9472000000e-03 -3.1924000000e-03 -4.5152000000e-03  1.5946000000e-03  1.1948000000e-03  2.6257000000e-03  2.5776000000e-03  2.2936000000e-03
+
+JOB 56
+COORDS -1.1526430000e+00 -6.0419100000e-01  1.1612260000e+00 -7.3541300000e-01 -7.5528200000e-01  3.1309600000e-01 -9.3703100000e-01 -1.3814460000e+00  1.6766080000e+00  1.1182700000e+00  6.1793400000e-01 -1.2021090000e+00  1.5994610000e+00  4.7189600000e-01 -3.8763900000e-01  6.0957500000e-01  1.4126310000e+00 -1.0411220000e+00
+ENERGY -1.526579566826e+02
+FORCES  1.9025000000e-03 -4.1646000000e-03 -2.7233000000e-03 -2.7124000000e-03  1.7860000000e-04  6.1876000000e-03 -3.3070000000e-04  3.2471000000e-03 -2.0942000000e-03  1.4407000000e-03  5.3160000000e-03  3.7175000000e-03 -2.5136000000e-03 -5.9900000000e-04 -3.9035000000e-03  2.2136000000e-03 -3.9782000000e-03 -1.1841000000e-03
+
+JOB 57
+COORDS  4.5720000000e-02 -1.0270890000e+00  1.4644140000e+00 -4.9204300000e-01 -7.5103700000e-01  2.2065980000e+00 -1.8240100000e-01 -4.1724700000e-01  7.6278400000e-01  2.0031000000e-02  9.2592600000e-01 -1.4416070000e+00  4.2034000000e-02  1.7921940000e+00 -1.0350010000e+00 -4.3104900000e-01  1.0632030000e+00 -2.2746210000e+00
+ENERGY -1.526577341742e+02
+FORCES -2.7628000000e-03  3.4949000000e-03 -2.3113000000e-03  2.0362000000e-03 -6.6070000000e-04 -2.8928000000e-03  4.7820000000e-04 -3.0122000000e-03  7.4538000000e-03 -1.0779000000e-03  4.6713000000e-03 -5.0352000000e-03 -8.8290000000e-04 -4.6243000000e-03 -8.4890000000e-04  2.2092000000e-03  1.3100000000e-04  3.6344000000e-03
+
+JOB 58
+COORDS  9.6391100000e-01  9.4066500000e-01 -1.1173390000e+00  1.6976900000e+00  1.1745860000e+00 -1.6857410000e+00  4.6161800000e-01  3.0267300000e-01 -1.6241910000e+00 -1.0088120000e+00 -9.6520300000e-01  1.1494930000e+00 -1.3353800000e+00 -2.4403100000e-01  1.6875420000e+00 -6.3778000000e-02 -8.2058200000e-01  1.1022950000e+00
+ENERGY -1.526573223361e+02
+FORCES  2.7360000000e-04 -1.0277000000e-03 -5.5866000000e-03 -3.1823000000e-03 -1.1058000000e-03  2.3214000000e-03  3.4343000000e-03  2.8848000000e-03  1.9966000000e-03  3.4019000000e-03  5.0034000000e-03  2.0254000000e-03  7.5930000000e-04 -3.2656000000e-03 -1.5921000000e-03 -4.6868000000e-03 -2.4890000000e-03  8.3540000000e-04
+
+JOB 59
+COORDS -7.2209200000e-01  9.4315600000e-01  1.3347830000e+00 -1.3113320000e+00  5.1867200000e-01  7.1121100000e-01 -9.6887300000e-01  5.7840800000e-01  2.1846590000e+00  7.7829800000e-01 -9.3565700000e-01 -1.3029770000e+00  2.5660500000e-01 -1.0524690000e+00 -2.0969690000e+00  1.1650040000e+00 -6.4987000000e-02 -1.3958380000e+00
+ENERGY -1.526551298987e+02
+FORCES -2.6166000000e-03 -5.0876000000e-03  3.7200000000e-04  9.8880000000e-04  3.2281000000e-03  2.8663000000e-03  7.1810000000e-04  1.6727000000e-03 -3.1974000000e-03  1.2176000000e-03  3.7425000000e-03 -3.0121000000e-03  1.3584000000e-03  6.5180000000e-04  3.8728000000e-03 -1.6663000000e-03 -4.2075000000e-03 -9.0150000000e-04
+
+JOB 60
+COORDS  3.6253100000e-01  5.9471200000e-01 -1.6359130000e+00  6.9392000000e-02  7.1259100000e-01 -2.5394640000e+00  6.1975700000e-01  1.4714930000e+00 -1.3507420000e+00 -2.9026300000e-01 -6.5441400000e-01  1.6592980000e+00 -8.7921700000e-01 -2.3775400000e-01  1.0302030000e+00 -8.5933500000e-01 -9.1870600000e-01  2.3821660000e+00
+ENERGY -1.526553643581e+02
+FORCES  1.6277000000e-03  4.1030000000e-03 -3.5107000000e-03  1.1377000000e-03 -4.8630000000e-04  4.0046000000e-03 -1.9692000000e-03 -3.6984000000e-03 -1.3019000000e-03 -4.4170000000e-03  4.1980000000e-04 -1.4205000000e-03  1.3406000000e-03 -1.3956000000e-03  5.2346000000e-03  2.2802000000e-03  1.0575000000e-03 -3.0060000000e-03
+
+JOB 61
+COORDS -8.3102000000e-02 -1.4970070000e+00 -1.0401680000e+00 -8.6518700000e-01 -2.0423230000e+00 -9.5527800000e-01  9.5787000000e-02 -1.4786700000e+00 -1.9803240000e+00  1.3974600000e-01  1.5914520000e+00  1.0719690000e+00  2.8760200000e-01  1.1805070000e+00  1.9237290000e+00 -3.4190100000e-01  9.3471700000e-01  5.6903000000e-01
+ENERGY -1.526570134395e+02
+FORCES -1.2576000000e-03 -3.5099000000e-03 -5.1862000000e-03  3.2354000000e-03  2.9558000000e-03  5.9300000000e-05 -1.1549000000e-03 -4.8570000000e-04  4.0696000000e-03 -6.1280000000e-04 -6.1015000000e-03  2.5500000000e-05 -7.5480000000e-04  1.9552000000e-03 -2.7240000000e-03  5.4470000000e-04  5.1861000000e-03  3.7559000000e-03
+
+JOB 62
+COORDS -1.9004500000e-01 -1.8085950000e+00  5.2458400000e-01  2.3231300000e-01 -1.4705230000e+00 -2.6507000000e-01  3.9176800000e-01 -2.5053190000e+00  8.2839500000e-01  7.6114000000e-02  1.8588600000e+00 -4.8866500000e-01  1.7243200000e-01  9.0651900000e-01 -4.8729400000e-01  9.6619300000e-01  2.1899200000e+00 -6.0862300000e-01
+ENERGY -1.526525886043e+02
+FORCES  4.1168000000e-03 -3.7056000000e-03 -1.3456000000e-03 -1.7987000000e-03  1.8675000000e-03  3.7656000000e-03 -2.7600000000e-03  3.0207000000e-03 -1.4123000000e-03  3.5234000000e-03 -2.4013000000e-03  9.2750000000e-04  6.5990000000e-04  2.8307000000e-03 -2.2752000000e-03 -3.7412000000e-03 -1.6120000000e-03  3.3990000000e-04
+
+JOB 63
+COORDS -4.9294900000e-01 -1.3409420000e+00 -1.1500380000e+00  2.4885400000e-01 -1.9419540000e+00 -1.2189190000e+00 -1.2418400000e+00 -1.8469210000e+00 -1.4652820000e+00  4.8808900000e-01  1.4783070000e+00  1.1985700000e+00 -1.3442000000e-02  7.0388300000e-01  1.4534550000e+00  1.0959320000e+00  1.1614010000e+00  5.3049000000e-01
+ENERGY -1.526559951391e+02
+FORCES -1.1423000000e-03 -5.0488000000e-03 -2.9462000000e-03 -2.8854000000e-03  3.0640000000e-03  8.0340000000e-04  3.3832000000e-03  1.8786000000e-03  1.3976000000e-03 -8.9700000000e-04 -5.5827000000e-03 -3.5416000000e-03  2.3970000000e-03  3.7619000000e-03  9.5310000000e-04 -8.5560000000e-04  1.9270000000e-03  3.3337000000e-03
+
+JOB 64
+COORDS -7.6727800000e-01 -1.7632450000e+00  3.3999800000e-01 -8.3745300000e-01 -2.6789480000e+00  6.0980400000e-01 -1.4781080000e+00 -1.3211320000e+00  8.0420500000e-01  8.0524000000e-01  1.8573740000e+00 -3.6598800000e-01  1.1523970000e+00  1.1320250000e+00  1.5322500000e-01  5.4102700000e-01  1.4552850000e+00 -1.1934830000e+00
+ENERGY -1.526565686559e+02
+FORCES -3.9598000000e-03 -2.5965000000e-03  3.1590000000e-03  1.9150000000e-04  3.8803000000e-03 -1.0298000000e-03  3.1846000000e-03 -2.1790000000e-03 -1.9377000000e-03  2.7920000000e-04 -6.0212000000e-03 -1.3884000000e-03 -7.7370000000e-04  4.2806000000e-03 -1.6494000000e-03  1.0782000000e-03  2.6358000000e-03  2.8463000000e-03
+
+JOB 65
+COORDS -9.6740400000e-01  1.5487730000e+00  7.5115800000e-01 -7.4881800000e-01  2.4556400000e+00  5.3657900000e-01 -1.9194180000e+00  1.5484770000e+00  8.5066000000e-01  9.7286700000e-01 -1.5707110000e+00 -7.9174900000e-01  8.6838700000e-01 -2.4746670000e+00 -4.9480100000e-01  1.6683820000e+00 -1.2152240000e+00 -2.3846900000e-01
+ENERGY -1.526534202555e+02
+FORCES -3.4049000000e-03  3.1885000000e-03 -1.3635000000e-03 -6.4790000000e-04 -3.7035000000e-03  1.0993000000e-03  3.8413000000e-03  2.1130000000e-04 -7.4200000000e-05  1.8187000000e-03 -1.0454000000e-03  4.4265000000e-03  3.3430000000e-04  3.4475000000e-03 -1.3682000000e-03 -1.9414000000e-03 -2.0983000000e-03 -2.7200000000e-03
+
+JOB 66
+COORDS -1.7764740000e+00 -5.7884000000e-02  1.1349070000e+00 -2.3003730000e+00  6.8066800000e-01  1.4452330000e+00 -1.0216170000e+00 -8.0579000000e-02  1.7230460000e+00  1.8229850000e+00  3.3103000000e-02 -1.1704780000e+00  1.4490900000e+00 -8.1563500000e-01 -1.4072870000e+00  1.0865970000e+00  6.4247300000e-01 -1.2217740000e+00
+ENERGY -1.526558949528e+02
+FORCES  5.7450000000e-04  2.6045000000e-03  4.6327000000e-03  2.3087000000e-03 -2.9546000000e-03 -1.4404000000e-03 -3.5057000000e-03  2.3280000000e-04 -2.6937000000e-03 -5.4215000000e-03 -1.1663000000e-03 -1.4975000000e-03  2.1577000000e-03  3.2483000000e-03  8.7770000000e-04  3.8863000000e-03 -1.9647000000e-03  1.2130000000e-04
+
+JOB 67
+COORDS  8.1540500000e-01  2.0383180000e+00 -7.5570300000e-01  5.9801000000e-02  1.6041490000e+00 -3.5973300000e-01  1.2413620000e+00  1.3545800000e+00 -1.2727090000e+00 -7.7810700000e-01 -1.9081070000e+00  7.6655400000e-01 -7.9480900000e-01 -2.4965590000e+00  1.1785000000e-02 -1.0962970000e+00 -2.4422210000e+00  1.4943660000e+00
+ENERGY -1.526555918034e+02
+FORCES -1.5831000000e-03 -5.4135000000e-03  3.7420000000e-04  3.0804000000e-03  2.9209000000e-03 -2.2483000000e-03 -1.4206000000e-03  2.9822000000e-03  1.4514000000e-03 -1.5352000000e-03 -5.2836000000e-03  6.6370000000e-04  1.9520000000e-04  2.7485000000e-03  2.9499000000e-03  1.2633000000e-03  2.0456000000e-03 -3.1910000000e-03
+
+JOB 68
+COORDS -3.7620000000e-01  2.2323040000e+00  6.5668000000e-01 -5.6381800000e-01  3.0866880000e+00  2.6801600000e-01  4.2149700000e-01  1.9384640000e+00  2.1671400000e-01  3.1228500000e-01 -2.3230900000e+00 -5.7997300000e-01  7.8629400000e-01 -2.2949230000e+00 -1.4110890000e+00  3.3678200000e-01 -1.4216220000e+00 -2.5905600000e-01
+ENERGY -1.526537402815e+02
+FORCES  2.1732000000e-03  3.4671000000e-03 -3.1407000000e-03  9.1510000000e-04 -3.6199000000e-03  1.6520000000e-03 -3.4771000000e-03 -1.4000000000e-06  1.6078000000e-03  1.3696000000e-03  3.7383000000e-03 -1.7616000000e-03 -1.8216000000e-03  9.3700000000e-05  3.4394000000e-03  8.4080000000e-04 -3.6777000000e-03 -1.7969000000e-03
+
+JOB 69
+COORDS  1.0303530000e+00  2.2785120000e+00 -4.6676300000e-01  5.0008200000e-01  2.0204710000e+00  2.8719900000e-01  7.3931700000e-01  1.7021390000e+00 -1.1733920000e+00 -9.3759300000e-01 -2.2857660000e+00  4.6264300000e-01 -8.0234400000e-01 -1.3742030000e+00  7.2147100000e-01 -1.8754560000e+00 -2.3471310000e+00  2.8131400000e-01
+ENERGY -1.526533297844e+02
+FORCES -2.8574000000e-03 -3.1320000000e-03 -1.7880000000e-04  1.8474000000e-03  5.1820000000e-04 -3.0710000000e-03  9.0150000000e-04  2.4627000000e-03  3.3461000000e-03 -3.5130000000e-03  2.8072000000e-03  7.1890000000e-04 -4.4810000000e-04 -3.1235000000e-03 -1.4963000000e-03  4.0695000000e-03  4.6730000000e-04  6.8110000000e-04
+
+JOB 70
+COORDS  8.0480000000e-01 -1.7813090000e+00 -1.5362830000e+00  1.0887250000e+00 -2.6915150000e+00 -1.4517620000e+00  1.8027000000e-02 -1.8248170000e+00 -2.0797240000e+00 -7.9402200000e-01  1.8916100000e+00  1.5300120000e+00 -5.4051100000e-01  1.0444370000e+00  1.1635950000e+00 -7.5389800000e-01  1.7647850000e+00  2.4779240000e+00
+ENERGY -1.526550878647e+02
+FORCES -1.6896000000e-03 -4.1718000000e-03 -2.6405000000e-03 -1.2690000000e-03  3.7825000000e-03 -2.5310000000e-04  3.2067000000e-03  1.6520000000e-04  2.5725000000e-03  1.7463000000e-03 -4.2483000000e-03  1.9350000000e-03 -1.7246000000e-03  3.9088000000e-03  2.0596000000e-03 -2.6980000000e-04  5.6350000000e-04 -3.6735000000e-03
+
+JOB 71
+COORDS -4.6272900000e-01 -1.4068690000e+00 -2.1949630000e+00 -1.9899600000e-01 -1.1761440000e+00 -1.3042090000e+00  3.2275000000e-01 -1.2628750000e+00 -2.7227130000e+00  3.5601300000e-01  1.3572970000e+00  2.2102960000e+00  7.5228800000e-01  2.2071060000e+00  2.4027070000e+00  8.4353900000e-01  1.0308860000e+00  1.4539840000e+00
+ENERGY -1.526534222799e+02
+FORCES  3.8693000000e-03  1.2277000000e-03  1.4720000000e-03 -5.1040000000e-04 -6.1540000000e-04 -3.7300000000e-03 -3.1663000000e-03 -4.3100000000e-04  2.3614000000e-03  3.6230000000e-03  2.7419000000e-03 -1.8965000000e-03 -1.6008000000e-03 -3.6266000000e-03 -8.1400000000e-04 -2.2147000000e-03  7.0350000000e-04  2.6070000000e-03
+
+JOB 72
+COORDS  4.6897900000e-01  2.1338870000e+00  1.5518320000e+00  4.7231000000e-02  1.3081670000e+00  1.3140360000e+00  1.9875000000e-02  2.7936550000e+00  1.0233980000e+00 -4.2382900000e-01 -2.0648450000e+00 -1.4728480000e+00 -7.7879600000e-01 -2.9238130000e+00 -1.2439280000e+00  6.4619000000e-02 -2.2149690000e+00 -2.2822380000e+00
+ENERGY -1.526551282438e+02
+FORCES -3.5604000000e-03 -1.2751000000e-03 -3.5500000000e-03  1.6776000000e-03  3.9180000000e-03  1.5937000000e-03  1.8221000000e-03 -2.3574000000e-03  2.2168000000e-03  7.7350000000e-04 -4.4277000000e-03 -2.6257000000e-03  1.4186000000e-03  3.5819000000e-03 -9.2980000000e-04 -2.1315000000e-03  5.6010000000e-04  3.2949000000e-03
+
+JOB 73
+COORDS -9.6880000000e-01 -1.2006890000e+00  2.2216530000e+00 -3.0988000000e-02 -1.3307560000e+00  2.3624480000e+00 -1.1870280000e+00 -1.7897880000e+00  1.4994540000e+00  9.3087600000e-01  1.1755870000e+00 -2.1779870000e+00  1.6490790000e+00  1.8041200000e+00 -2.2512120000e+00  1.4025100000e-01  1.6976330000e+00 -2.3144100000e+00
+ENERGY -1.526545456508e+02
+FORCES  3.2969000000e-03 -2.7104000000e-03 -2.9598000000e-03 -3.8424000000e-03  3.7680000000e-04 -1.4630000000e-04  5.7890000000e-04  2.1793000000e-03  3.1873000000e-03 -4.8410000000e-04  4.9391000000e-03 -6.7590000000e-04 -2.8589000000e-03 -2.6139000000e-03  2.6720000000e-04  3.3096000000e-03 -2.1709000000e-03  3.2750000000e-04
+
+JOB 74
+COORDS -1.2917820000e+00 -2.3312340000e+00  5.4877400000e-01 -1.0728360000e+00 -3.1644990000e+00  9.6586300000e-01 -1.6772950000e+00 -2.5776870000e+00 -2.9198300000e-01  1.2990250000e+00  2.3264950000e+00 -5.6480000000e-01  1.3810670000e+00  3.2259180000e+00 -8.8187600000e-01  1.2363390000e+00  2.4121720000e+00  3.8649500000e-01
+ENERGY -1.526539181539e+02
+FORCES -4.5260000000e-04 -4.2015000000e-03 -2.1688000000e-03 -9.2300000000e-04  3.4056000000e-03 -1.5775000000e-03  1.3767000000e-03  7.7990000000e-04  3.5767000000e-03 -2.0970000000e-04  3.6266000000e-03  2.9324000000e-03 -3.1780000000e-04 -3.6579000000e-03  1.1864000000e-03  5.2630000000e-04  4.7300000000e-05 -3.9491000000e-03
+
+JOB 75
+COORDS  4.6902700000e-01  1.8834610000e+00 -2.0451330000e+00  3.0656100000e-01  2.3380220000e+00 -1.2185670000e+00  2.6042500000e-01  2.5298960000e+00 -2.7195500000e+00 -4.9882900000e-01 -1.9591470000e+00  1.9938820000e+00 -3.8944200000e-01 -2.1662330000e+00  2.9219890000e+00  2.6971000000e-01 -1.4329540000e+00  1.7731990000e+00
+ENERGY -1.526540537667e+02
+FORCES -1.8920000000e-03  4.4773000000e-03  3.9030000000e-04  9.4810000000e-04 -1.9302000000e-03 -3.2238000000e-03  9.2600000000e-04 -2.5829000000e-03  2.7769000000e-03  3.7522000000e-03  1.1560000000e-03  2.5024000000e-03 -4.9670000000e-04  9.0490000000e-04 -3.7542000000e-03 -3.2377000000e-03 -2.0251000000e-03  1.3084000000e-03
+
+JOB 76
+COORDS -1.9127490000e+00 -1.9932740000e+00 -1.0638070000e+00 -1.7731190000e+00 -2.6099650000e+00 -3.4517800000e-01 -1.8781000000e+00 -1.1308050000e+00 -6.5007000000e-01  1.8799360000e+00  1.9272730000e+00  9.9571400000e-01  1.6729380000e+00  2.7046240000e+00  4.7695700000e-01  2.5453440000e+00  2.2234320000e+00  1.6168060000e+00
+ENERGY -1.526545484721e+02
+FORCES  1.2563000000e-03  1.2285000000e-03  4.8056000000e-03 -7.8410000000e-04  2.2867000000e-03 -2.9441000000e-03 -6.2360000000e-04 -3.5641000000e-03 -1.8664000000e-03  2.2332000000e-03  4.4544000000e-03  3.1020000000e-04  6.8960000000e-04 -3.2146000000e-03  2.2098000000e-03 -2.7714000000e-03 -1.1908000000e-03 -2.5151000000e-03
+
+JOB 77
+COORDS -7.2331800000e-01 -1.4308490000e+00  2.4352060000e+00 -5.5576500000e-01 -7.4855800000e-01  3.0853110000e+00 -1.6651240000e+00 -1.5916400000e+00  2.4933390000e+00  7.1052900000e-01  1.3777610000e+00 -2.4587250000e+00  1.4529470000e+00  9.2782500000e-01 -2.8619680000e+00  1.0052770000e+00  2.2826450000e+00 -2.3560540000e+00
+ENERGY -1.526537366177e+02
+FORCES -3.2527000000e-03  2.4130000000e-03  2.4334000000e-03 -6.2200000000e-04 -2.8490000000e-03 -2.4571000000e-03  3.8287000000e-03  5.2970000000e-04 -4.0800000000e-05  4.3261000000e-03  1.5115000000e-03 -9.7340000000e-04 -3.0187000000e-03  1.9872000000e-03  1.4641000000e-03 -1.2615000000e-03 -3.5923000000e-03 -4.2620000000e-04
+
+JOB 78
+COORDS -1.8476980000e+00 -2.3236130000e+00  4.3655700000e-01 -2.4296070000e+00 -2.5482150000e+00 -2.8950600000e-01 -1.2493340000e+00 -3.0677250000e+00  5.0356300000e-01  1.8334180000e+00  2.3175280000e+00 -3.7010900000e-01  1.5239000000e+00  3.1518280000e+00 -1.7442000000e-02  2.3660990000e+00  2.5599820000e+00 -1.1275390000e+00
+ENERGY -1.526536457556e+02
+FORCES  4.7360000000e-04 -3.6831000000e-03 -2.8005000000e-03  2.2433000000e-03  8.6120000000e-04  2.9814000000e-03 -2.6036000000e-03  2.8536000000e-03 -2.2740000000e-04  6.0910000000e-04  4.3287000000e-03 -1.5149000000e-03  1.3994000000e-03 -3.3177000000e-03 -1.4920000000e-03 -2.1218000000e-03 -1.0428000000e-03  3.0535000000e-03
+
+JOB 79
+COORDS -2.7933000000e-02  2.0080900000e+00 -2.3591700000e+00  4.3398600000e-01  2.5948700000e+00 -1.7603780000e+00  2.2587000000e-01  1.1292280000e+00 -2.0773590000e+00 -3.3860000000e-03 -1.9428060000e+00  2.3520140000e+00  3.5725600000e-01 -2.8244700000e+00  2.4460240000e+00 -4.9462900000e-01 -1.9707460000e+00  1.5309590000e+00
+ENERGY -1.526541924705e+02
+FORCES  3.0743000000e-03 -9.7110000000e-04  3.7562000000e-03 -1.9100000000e-03 -2.3874000000e-03 -2.5827000000e-03 -1.2280000000e-03  3.3417000000e-03 -1.2335000000e-03 -8.0640000000e-04 -4.0105000000e-03 -2.6111000000e-03 -1.4386000000e-03  3.6900000000e-03 -4.7370000000e-04  2.3087000000e-03  3.3740000000e-04  3.1448000000e-03
+
+JOB 80
+COORDS -4.2950000000e-01  1.8307300000e+00  2.4355420000e+00  9.0335000000e-02  2.3003450000e+00  3.0878200000e+00  1.7939900000e-01  1.1990080000e+00  2.0529190000e+00  3.2979800000e-01 -1.8440910000e+00 -2.4059350000e+00  3.4747500000e-01 -2.0255620000e+00 -3.3456090000e+00  1.1035900000e+00 -1.3021970000e+00 -2.2515670000e+00
+ENERGY -1.526539107006e+02
+FORCES  4.4137000000e-03 -9.3100000000e-04  1.0729000000e-03 -2.0911000000e-03 -1.8770000000e-03 -2.7010000000e-03 -2.2445000000e-03  2.8091000000e-03  1.5891000000e-03  3.0111000000e-03  1.4787000000e-03 -3.4854000000e-03  2.0000000000e-07  7.1400000000e-04  3.8675000000e-03 -3.0895000000e-03 -2.1939000000e-03 -3.4310000000e-04
+
+JOB 81
+COORDS  1.9440110000e+00  2.4689170000e+00  6.6380200000e-01  2.8969560000e+00  2.5461630000e+00  6.1731300000e-01  1.6792510000e+00  2.2271730000e+00 -2.2371900000e-01 -1.9902050000e+00 -2.5168560000e+00 -5.9509000000e-01 -1.4068500000e+00 -2.1798790000e+00 -1.2750720000e+00 -2.4034540000e+00 -1.7367140000e+00 -2.2517700000e-01
+ENERGY -1.526539559921e+02
+FORCES  3.0998000000e-03 -5.6180000000e-04 -3.6642000000e-03 -3.9583000000e-03 -3.0870000000e-04  1.2930000000e-04  8.3470000000e-04  8.3010000000e-04  3.5790000000e-03  6.7520000000e-04  4.5860000000e-03 -9.9530000000e-04 -2.3095000000e-03 -1.3211000000e-03  2.6500000000e-03  1.6581000000e-03 -3.2245000000e-03 -1.6989000000e-03
+
+JOB 82
+COORDS -4.1834000000e-02 -3.8629000000e+00  6.5279500000e-01  7.9194300000e-01 -3.6366670000e+00  2.4064800000e-01 -5.8379200000e-01 -3.0816350000e+00  5.4261900000e-01  3.6313000000e-02  3.8554930000e+00 -6.5955700000e-01 -8.0447300000e-01  3.4462830000e+00 -4.5496600000e-01  6.8280400000e-01  3.3163360000e+00 -2.0393500000e-01
+ENERGY -1.526538334164e+02
+FORCES  1.1948000000e-03  3.9055000000e-03 -2.2287000000e-03 -3.4487000000e-03 -8.1070000000e-04  1.7476000000e-03  2.2515000000e-03 -3.0441000000e-03  5.0840000000e-04 -8.1170000000e-04 -3.6120000000e-03  2.7703000000e-03  3.5024000000e-03  1.5187000000e-03 -8.6810000000e-04 -2.6884000000e-03  2.0426000000e-03 -1.9295000000e-03
+
+JOB 83
+COORDS  5.6492900000e-01  3.2585480000e+00  2.2456620000e+00  8.7255600000e-01  2.5930030000e+00  1.6303190000e+00  4.3871000000e-02  3.8574010000e+00  1.7107740000e+00 -5.8444400000e-01 -3.2469880000e+00 -2.2456780000e+00 -3.0990900000e-01 -2.5549100000e+00 -1.6441050000e+00 -3.4011900000e-01 -4.0600800000e+00 -1.8036170000e+00
+ENERGY -1.526539795793e+02
+FORCES -8.7500000000e-04 -6.9900000000e-05 -4.6934000000e-03 -1.2794000000e-03  2.5429000000e-03  2.5141000000e-03  2.1473000000e-03 -2.5137000000e-03  2.1923000000e-03  2.0692000000e-03 -6.7850000000e-04  4.2800000000e-03 -1.0805000000e-03 -2.6542000000e-03 -2.4741000000e-03 -9.8140000000e-04  3.3735000000e-03 -1.8190000000e-03
+
+JOB 84
+COORDS -4.6909200000e-01 -2.2013130000e+00  5.6056270000e+00 -1.2236200000e+00 -1.6134520000e+00  5.5690460000e+00  2.8780800000e-01 -1.6174870000e+00  5.6554480000e+00  4.6411100000e-01  2.2004780000e+00 -5.5926290000e+00  7.7161000000e-02  1.7426220000e+00 -6.3388660000e+00  9.3804500000e-01  1.5207380000e+00 -5.1134920000e+00
+ENERGY -1.526541198066e+02
+FORCES -2.2000000000e-06  4.8001000000e-03  8.0200000000e-05  3.0806000000e-03 -2.4099000000e-03  1.4130000000e-04 -3.0787000000e-03 -2.3945000000e-03 -2.1650000000e-04  3.5550000000e-04 -4.6597000000e-03 -1.1138000000e-03  1.5770000000e-03  1.8749000000e-03  3.0468000000e-03 -1.9321000000e-03  2.7891000000e-03 -1.9379000000e-03
+
+JOB 85
+COORDS  3.8558440000e+00  6.9839630000e+00  1.5128950000e+00  3.2856140000e+00  7.5122690000e+00  9.5435900000e-01  4.7401230000e+00  7.2891390000e+00  1.3100410000e+00 -3.8519960000e+00 -7.0102940000e+00 -1.5327930000e+00 -3.5229590000e+00 -7.6917880000e+00 -9.4667600000e-01 -4.5700810000e+00 -6.6031540000e+00 -1.0482090000e+00
+ENERGY -1.526540787905e+02
+FORCES  1.2812000000e-03  3.3892000000e-03 -3.1215000000e-03  2.3254000000e-03 -2.1487000000e-03  2.2859000000e-03 -3.6061000000e-03 -1.2402000000e-03  8.3410000000e-04 -1.5721000000e-03 -1.1017000000e-03  4.3814000000e-03 -1.3482000000e-03  2.7702000000e-03 -2.3966000000e-03  2.9199000000e-03 -1.6689000000e-03 -1.9834000000e-03
+
+JOB 86
+COORDS -5.9124480000e+00  3.9891440000e+00 -5.0342580000e+00 -5.8837050000e+00  4.9458980000e+00 -5.0395200000e+00 -6.2017900000e+00  3.7528910000e+00 -5.9155620000e+00  5.9106050000e+00 -3.9674450000e+00  5.0978250000e+00  6.7641660000e+00 -4.2882660000e+00  4.8067240000e+00  5.3695360000e+00 -4.7539890000e+00  5.1672870000e+00
+ENERGY -1.526540603549e+02
+FORCES -1.0526000000e-03  2.9434000000e-03 -3.6070000000e-03 -1.2310000000e-04 -3.9040000000e-03  1.5500000000e-05  1.1770000000e-03  9.6110000000e-04  3.5926000000e-03  1.2569000000e-03 -4.5125000000e-03 -9.1680000000e-04 -3.4753000000e-03  1.3079000000e-03  1.1923000000e-03  2.2171000000e-03  3.2041000000e-03 -2.7660000000e-04
+
+JOB 87
+COORDS -8.4332510000e+00  2.0356950000e+00 -1.7491080000e+00 -7.6093730000e+00  2.4925900000e+00 -1.5796820000e+00 -8.8983430000e+00  2.0614930000e+00 -9.1289300000e-01  8.4208590000e+00 -2.0504900000e+00  1.7610750000e+00  7.6303470000e+00 -2.2296070000e+00  1.2519200000e+00  9.1287660000e+00 -2.0610850000e+00  1.1168790000e+00
+ENERGY -1.526540841295e+02
+FORCES  1.4548000000e-03  1.9742000000e-03  4.1091000000e-03 -3.3552000000e-03 -1.8676000000e-03 -6.9650000000e-04  1.8996000000e-03 -1.0690000000e-04 -3.4135000000e-03 -3.2870000000e-04 -7.8440000000e-04 -4.7088000000e-03  3.2194000000e-03  7.3750000000e-04  2.0808000000e-03 -2.8900000000e-03  4.7200000000e-05  2.6290000000e-03
+
+JOB 88
+COORDS  6.9673470000e+00 -4.0662280000e+00  5.7417880000e+00  7.6380960000e+00 -4.1594420000e+00  6.4182770000e+00  6.6660300000e+00 -4.9598510000e+00  5.5778450000e+00 -6.9829840000e+00  4.1391730000e+00 -5.7006850000e+00 -6.8330730000e+00  3.2604310000e+00 -6.0493550000e+00 -7.1874520000e+00  4.6709140000e+00 -6.4698900000e+00
+ENERGY -1.526540632552e+02
+FORCES  1.5003000000e-03 -4.0201000000e-03  2.0940000000e-03 -2.7338000000e-03  3.7780000000e-04 -2.7612000000e-03  1.2326000000e-03  3.6429000000e-03  6.6710000000e-04 -2.0970000000e-04 -1.4167000000e-03 -4.5545000000e-03 -6.1860000000e-04  3.5850000000e-03  1.4184000000e-03  8.2920000000e-04 -2.1689000000e-03  3.1362000000e-03
+
+JOB 89
+COORDS -1.2178765000e+01 -1.9926320000e+00 -5.4365160000e+00 -1.2633656000e+01 -2.0726420000e+00 -4.5981220000e+00 -1.1403228000e+01 -2.5457470000e+00 -5.3425090000e+00  1.2139325000e+01  2.0330320000e+00  5.4460410000e+00  1.1816655000e+01  2.5134090000e+00  4.6835750000e+00  1.2832035000e+01  1.4704800000e+00  5.0997460000e+00
+ENERGY -1.526540766313e+02
+FORCES  1.3060000000e-03 -2.5824000000e-03  3.8056000000e-03  1.8562000000e-03  3.2610000000e-04 -3.4208000000e-03 -3.1623000000e-03  2.2563000000e-03 -3.8490000000e-04  1.5130000000e-03 -3.3190000000e-04 -4.5226000000e-03  1.3144000000e-03 -1.9614000000e-03  3.1103000000e-03 -2.8273000000e-03  2.2932000000e-03  1.4125000000e-03
+
+JOB 0
+COORDS -8.7864300000e-01 -7.8408700000e-01 -5.0366300000e-01 -5.3942000000e-02 -3.3318300000e-01 -3.2259500000e-01 -7.3483000000e-01 -1.6795250000e+00 -1.9749400000e-01  8.4541000000e-01  7.5315600000e-01  4.8146900000e-01  9.1239900000e-01  1.3385700000e+00 -2.7287400000e-01  3.3117300000e-01  1.2447810000e+00  1.1218570000e+00
+ENERGY -1.526538578125e+02
+FORCES  1.8892900000e-02  1.3508100000e-02  1.1623800000e-02 -3.4872000000e-03 -1.1241000000e-03 -8.3280000000e-03  1.0780000000e-03  3.4836000000e-03  5.0720000000e-04 -1.7293400000e-02 -8.0096000000e-03 -3.2197000000e-03 -3.3504000000e-03 -6.9786000000e-03  2.9193000000e-03  4.1602000000e-03 -8.7940000000e-04 -3.5026000000e-03
+
+JOB 1
+COORDS -1.1146080000e+00  6.7256400000e-01 -1.6554000000e-02 -1.8766570000e+00  1.9844400000e-01  3.1619700000e-01 -3.7071400000e-01  1.0706600000e-01  1.9096800000e-01  1.0704200000e+00 -5.7999200000e-01  2.3216000000e-02  2.0128250000e+00 -4.3239000000e-01 -5.6278000000e-02  9.2307500000e-01 -1.4246850000e+00 -4.0224200000e-01
+ENERGY -1.526544876044e+02
+FORCES  1.8723200000e-02 -7.9382000000e-03  1.4714000000e-03  4.8414000000e-03 -1.4127000000e-03 -1.2141000000e-03 -7.1263000000e-03 -2.6493000000e-03 -5.5970000000e-04 -1.2571900000e-02  1.0672000000e-02 -1.7272000000e-03 -4.1671000000e-03 -3.3747000000e-03 -1.0862000000e-03  3.0070000000e-04  4.7028000000e-03  3.1158000000e-03
+
+JOB 2
+COORDS -4.1328600000e-01  9.7889400000e-01  8.4040300000e-01 -7.7960000000e-02  5.8026800000e-01  1.6434510000e+00 -1.2907500000e-01  3.8851700000e-01  1.4261300000e-01  3.5113000000e-01 -8.8567500000e-01 -8.0474800000e-01  6.5627100000e-01 -6.5901900000e-01 -1.6832400000e+00  5.3156900000e-01 -1.8220810000e+00 -7.2218200000e-01
+ENERGY -1.526569231319e+02
+FORCES  6.8907000000e-03 -1.6033400000e-02 -9.7846000000e-03 -1.0355000000e-03  5.0240000000e-04 -1.6021000000e-03 -1.0821000000e-03  6.3472000000e-03 -1.5700000000e-05 -3.4006000000e-03  6.4284000000e-03  8.7304000000e-03 -1.6892000000e-03 -1.7420000000e-03  5.0580000000e-03  3.1670000000e-04  4.4974000000e-03 -2.3860000000e-03
+
+JOB 3
+COORDS  1.1723040000e+00 -4.1311800000e-01 -5.4303200000e-01  1.8675590000e+00 -3.8676100000e-01  1.1435600000e-01  3.6660400000e-01 -2.7142200000e-01 -4.6040000000e-02 -1.1508560000e+00  3.5283800000e-01  4.4657600000e-01 -7.2931900000e-01  1.2121420000e+00  4.3496600000e-01 -1.8868040000e+00  4.5468900000e-01  1.0500980000e+00
+ENERGY -1.526572771338e+02
+FORCES -1.1626300000e-02 -3.3500000000e-04  7.0196000000e-03 -3.4716000000e-03  1.1116000000e-03 -1.1314000000e-03  6.8768000000e-03  6.3629000000e-03 -2.8390000000e-03  4.4134000000e-03 -1.4461000000e-03 -1.1837000000e-03  8.0000000000e-06 -7.6446000000e-03  1.3878000000e-03  3.7998000000e-03  1.9512000000e-03 -3.2531000000e-03
+
+JOB 4
+COORDS -1.0010830000e+00  3.2624300000e-01  8.8633300000e-01 -1.9154700000e-01  7.9430000000e-03  4.8687300000e-01 -1.6971810000e+00 -1.3394400000e-01  4.1739200000e-01  1.0020280000e+00 -3.4247100000e-01 -8.0915900000e-01  8.1564700000e-01 -1.2159000000e-01 -1.7216860000e+00  1.1525700000e+00  5.0172300000e-01 -3.8382900000e-01
+ENERGY -1.526534315656e+02
+FORCES  7.0681000000e-03 -9.5200000000e-03 -1.1998600000e-02  5.5467000000e-03  1.0388100000e-02  3.5607000000e-03  9.2320000000e-04  2.0465000000e-03  1.5070000000e-03 -6.6698000000e-03  6.4495000000e-03 -1.0126000000e-03  1.4738000000e-03 -1.2112000000e-03  4.4519000000e-03 -8.3421000000e-03 -8.1529000000e-03  3.4916000000e-03
+
+JOB 5
+COORDS  4.7623500000e-01  1.5511100000e-01 -1.2765490000e+00 -2.5637500000e-01  3.5250600000e-01 -1.8601150000e+00  6.4655000000e-02 -1.7477600000e-01 -4.7779500000e-01 -4.3875700000e-01 -1.9326900000e-01  1.2236550000e+00 -6.0394900000e-01  7.4530700000e-01  1.3132020000e+00  2.3548900000e-01 -3.8163000000e-01  1.8764510000e+00
+ENERGY -1.526599376050e+02
+FORCES -6.5243000000e-03 -4.4442000000e-03  1.3207500000e-02  1.2320000000e-03 -5.0700000000e-05  3.6925000000e-03  2.4752000000e-03  3.6318000000e-03 -9.6648000000e-03  5.5611000000e-03  4.3659000000e-03 -2.9278000000e-03  8.4810000000e-04 -5.3952000000e-03 -1.2462000000e-03 -3.5921000000e-03  1.8924000000e-03 -3.0612000000e-03
+
+JOB 6
+COORDS -8.3689700000e-01  2.5997400000e-01  1.0637090000e+00 -2.3956800000e-01  2.3751200000e-01  3.1609600000e-01 -1.2178150000e+00  1.1378030000e+00  1.0402540000e+00  8.4759800000e-01 -2.5155500000e-01 -9.9417600000e-01  2.3761200000e-01 -3.8422800000e-01 -1.7198120000e+00  1.0866730000e+00 -1.1359640000e+00 -7.1687300000e-01
+ENERGY -1.526604971393e+02
+FORCES  1.0334200000e-02  4.1300000000e-05 -1.1361800000e-02 -8.6552000000e-03  4.7880000000e-04  7.5808000000e-03  1.8002000000e-03 -2.6257000000e-03 -1.9108000000e-03 -3.4365000000e-03 -4.3874000000e-03  1.9927000000e-03  2.3381000000e-03  1.2187000000e-03  5.2948000000e-03 -2.3807000000e-03  5.2744000000e-03 -1.5958000000e-03
+
+JOB 7
+COORDS -9.3575300000e-01 -6.3712600000e-01  6.2833200000e-01 -1.2314420000e+00 -2.9624800000e-01  1.4724900000e+00 -1.7187290000e+00 -1.0267780000e+00  2.3929500000e-01  1.0658900000e+00  6.2169000000e-01 -6.5776800000e-01  2.9825200000e-01  1.1550300000e-01 -3.9179900000e-01  7.1450700000e-01  1.4752460000e+00 -9.1115200000e-01
+ENERGY -1.526595060937e+02
+FORCES  3.0266000000e-03  4.1136000000e-03  5.8300000000e-04 -6.2890000000e-04 -2.5496000000e-03 -4.5060000000e-03  3.9098000000e-03  3.0503000000e-03  2.1133000000e-03 -1.2346200000e-02 -5.3153000000e-03  6.6829000000e-03  5.8416000000e-03  3.2426000000e-03 -6.1362000000e-03  1.9700000000e-04 -2.5415000000e-03  1.2630000000e-03
+
+JOB 8
+COORDS  3.1334000000e-01  1.2467810000e+00  2.2125400000e-01 -3.4225000000e-02  2.0377670000e+00  6.3328600000e-01  4.4302200000e-01  1.4907390000e+00 -6.9520600000e-01 -3.3999200000e-01 -1.3210900000e+00 -2.4125100000e-01  1.5801300000e-01 -1.9582770000e+00  2.7081800000e-01 -1.1757600000e-01 -4.7484200000e-01  1.4685600000e-01
+ENERGY -1.526610344687e+02
+FORCES -3.0041000000e-03 -2.7294000000e-03 -3.0375000000e-03  2.2092000000e-03 -2.8352000000e-03 -3.2486000000e-03 -1.0544000000e-03 -1.7400000000e-04  5.5318000000e-03  3.6161000000e-03  1.1695400000e-02  4.9541000000e-03 -1.0207000000e-03  3.1588000000e-03 -7.6140000000e-04 -7.4610000000e-04 -9.1156000000e-03 -3.4385000000e-03
+
+JOB 9
+COORDS -6.1386100000e-01 -1.1074290000e+00 -5.2185100000e-01  3.0891300000e-01 -1.3617820000e+00 -5.2684000000e-01 -9.0952900000e-01 -1.2944280000e+00  3.6912800000e-01  5.3709800000e-01  1.1753370000e+00  4.9541500000e-01  1.4841550000e+00  1.2747940000e+00  3.9833700000e-01  3.5137600000e-01  3.0067800000e-01  1.5378600000e-01
+ENERGY -1.526527327308e+02
+FORCES  4.9840000000e-04 -9.1280000000e-04  4.1981000000e-03 -3.6280000000e-03  9.9033000000e-03  2.8983000000e-03  3.7305000000e-03  3.3057000000e-03 -5.2345000000e-03 -5.0893000000e-03 -8.4120000000e-03 -6.7272000000e-03 -3.9079000000e-03 -3.1841000000e-03 -8.2340000000e-04  8.3963000000e-03 -7.0010000000e-04  5.6887000000e-03
+
+JOB 10
+COORDS  4.2814700000e-01 -1.0751010000e+00 -7.7420300000e-01  8.5335200000e-01 -1.7441350000e+00 -2.3770900000e-01  3.3827400000e-01 -3.2131300000e-01 -1.9114200000e-01 -4.0976100000e-01  1.0229890000e+00  7.3370700000e-01 -1.1475400000e-01  1.7347410000e+00  1.6571700000e-01 -1.3554280000e+00  1.1512920000e+00  8.0775400000e-01
+ENERGY -1.526597833622e+02
+FORCES -4.1426000000e-03  9.0929000000e-03  1.0402200000e-02 -1.6825000000e-03  2.6931000000e-03 -6.4700000000e-04  6.2533000000e-03 -4.2358000000e-03 -7.2498000000e-03 -4.1295000000e-03 -2.9197000000e-03 -4.4496000000e-03 -1.1210000000e-03 -6.0228000000e-03  1.9753000000e-03  4.8224000000e-03  1.3922000000e-03 -3.1200000000e-05
+
+JOB 11
+COORDS -4.7346500000e-01 -8.6868200000e-01 -9.8872900000e-01 -7.8041500000e-01 -4.6865200000e-01 -1.8023560000e+00 -4.4957000000e-01 -1.4686900000e-01 -3.6052000000e-01  4.2224100000e-01  8.0413900000e-01  9.8476100000e-01  8.6248600000e-01  8.6812300000e-01  1.8323000000e+00  1.1253590000e+00  8.9496500000e-01  3.4163800000e-01
+ENERGY -1.526584820030e+02
+FORCES -8.1890000000e-04  5.5110000000e-03  7.5472000000e-03  2.2465000000e-03  2.1800000000e-04  3.7737000000e-03  2.0505000000e-03 -1.4576000000e-03 -9.1763000000e-03  2.5749000000e-03 -4.3968000000e-03  4.1500000000e-05 -9.9300000000e-05  5.5290000000e-04 -4.4787000000e-03 -5.9538000000e-03 -4.2750000000e-04  2.2927000000e-03
+
+JOB 12
+COORDS  7.7965000000e-02 -4.2973500000e-01 -1.2797910000e+00  3.1746600000e-01  4.5186700000e-01 -9.9404800000e-01  3.1911500000e-01 -4.5569300000e-01 -2.2057520000e+00 -5.2512000000e-02  4.2429800000e-01  1.3304880000e+00 -9.0366600000e-01  4.2886600000e-01  1.7683780000e+00 -1.1319700000e-01 -2.8927200000e-01  6.9537700000e-01
+ENERGY -1.526600118008e+02
+FORCES  1.4878000000e-03  3.4770000000e-03  3.9060000000e-04 -1.3370000000e-03 -7.6126000000e-03 -9.9860000000e-04 -8.1510000000e-04  2.3917000000e-03  3.7637000000e-03 -3.5982000000e-03 -5.8175000000e-03 -3.3995000000e-03  2.9210000000e-03 -5.0370000000e-04 -1.8573000000e-03  1.3415000000e-03  8.0650000000e-03  2.1012000000e-03
+
+JOB 13
+COORDS -4.9871000000e-01 -9.8714600000e-01 -7.2763400000e-01  3.6623200000e-01 -1.1883100000e+00 -1.0849030000e+00 -1.0396110000e+00 -1.7383710000e+00 -9.7118500000e-01  5.2408300000e-01  1.0325500000e+00  8.1645900000e-01  6.4735000000e-02  3.7822300000e-01  2.9006700000e-01  2.0642800000e-01  1.8727320000e+00  4.8567000000e-01
+ENERGY -1.526601651191e+02
+FORCES  6.5040000000e-04 -3.0040000000e-04  2.2269000000e-03 -5.2395000000e-03  1.7620000000e-03  2.6280000000e-03  4.0804000000e-03  2.5664000000e-03 -5.7080000000e-04 -7.6614000000e-03 -6.1379000000e-03 -5.9764000000e-03  7.5228000000e-03  5.0019000000e-03  1.2171000000e-03  6.4720000000e-04 -2.8920000000e-03  4.7530000000e-04
+
+JOB 14
+COORDS -6.6015700000e-01  1.1748230000e+00 -3.9323900000e-01 -1.3545570000e+00  1.1392710000e+00 -1.0510950000e+00 -6.1577300000e-01  2.8517700000e-01 -4.2821000000e-02  6.8197900000e-01 -1.0775880000e+00  4.5390400000e-01  2.0715400000e-01 -1.7067060000e+00 -8.9220000000e-02  1.6028890000e+00 -1.2168800000e+00  2.3310100000e-01
+ENERGY -1.526554649562e+02
+FORCES  4.4194000000e-03 -8.1294000000e-03  3.4755000000e-03  3.3466000000e-03 -2.2806000000e-03  2.4053000000e-03 -7.5928000000e-03  2.5178000000e-03 -4.2090000000e-03  4.3007000000e-03  3.0571000000e-03 -5.0337000000e-03 -2.6650000000e-04  6.4224000000e-03  2.0994000000e-03 -4.2074000000e-03 -1.5874000000e-03  1.2624000000e-03
+
+JOB 15
+COORDS  8.0672300000e-01  1.7246300000e-01  1.0513210000e+00  3.8868700000e-01  7.1470900000e-01  1.7202350000e+00  1.6850840000e+00  5.4122800000e-01  9.5790100000e-01 -9.0820300000e-01 -2.4514200000e-01 -1.1008750000e+00 -4.6916400000e-01 -1.8296600000e-01 -2.5257600000e-01 -2.2552400000e-01 -4.0835000000e-02 -1.7399680000e+00
+ENERGY -1.526595402182e+02
+FORCES  5.7200000000e-04  2.9278000000e-03 -2.5605000000e-03  1.9441000000e-03 -2.7816000000e-03 -4.3386000000e-03 -4.2904000000e-03 -1.1212000000e-03  1.3336000000e-03  1.1668200000e-02  2.2351000000e-03  8.5280000000e-03 -7.9789000000e-03 -8.1030000000e-04 -3.7742000000e-03 -1.9150000000e-03 -4.4980000000e-04  8.1160000000e-04
+
+JOB 16
+COORDS  4.1979500000e-01  4.9501000000e-02  1.3512200000e+00  7.5460500000e-01  8.8944800000e-01  1.6652630000e+00  3.2214000000e-02  2.4911200000e-01  4.9906500000e-01 -4.5770100000e-01 -7.6274000000e-02 -1.2812970000e+00  2.5035400000e-01  2.8397900000e-01 -1.8152520000e+00 -4.4240700000e-01 -1.0156380000e+00 -1.4645790000e+00
+ENERGY -1.526607859387e+02
+FORCES -4.7242000000e-03  1.5043000000e-03 -1.0687100000e-02 -1.1222000000e-03 -2.1827000000e-03 -3.0608000000e-03  4.8001000000e-03  1.7563000000e-03  1.0105600000e-02  4.0903000000e-03 -4.7258000000e-03  1.2760000000e-04 -3.2395000000e-03 -1.5253000000e-03  3.7214000000e-03  1.9550000000e-04  5.1732000000e-03 -2.0680000000e-04
+
+JOB 17
+COORDS -3.6654100000e-01 -7.5210800000e-01 -1.1778690000e+00  1.4821200000e-01 -3.6496200000e-01 -4.6978800000e-01 -8.3924700000e-01 -1.3863000000e-02 -1.5622850000e+00  3.0569600000e-01  6.5615000000e-01  1.1526430000e+00  5.4042500000e-01  1.5639720000e+00  9.6030800000e-01  1.1225350000e+00  2.5469900000e-01  1.4490280000e+00
+ENERGY -1.526576870686e+02
+FORCES  3.1930000000e-04  9.6677000000e-03  1.0988100000e-02  2.8117000000e-03 -5.6034000000e-03 -7.0144000000e-03  1.4673000000e-03 -1.9450000000e-03  2.2120000000e-04  1.5722000000e-03  1.9823000000e-03  7.5060000000e-04 -1.3351000000e-03 -5.4369000000e-03 -1.8620000000e-04 -4.8355000000e-03  1.3353000000e-03 -4.7593000000e-03
+
+JOB 18
+COORDS -8.8953400000e-01  1.0042670000e+00  7.0695000000e-02 -9.5117200000e-01  1.9582090000e+00  2.1417000000e-02 -1.3768420000e+00  7.7281800000e-01  8.6138700000e-01  9.1885300000e-01 -1.1045450000e+00 -7.7018000000e-02  3.9423000000e-01 -3.1317400000e-01  4.4367000000e-02  1.4922370000e+00 -9.0135000000e-01 -8.1605400000e-01
+ENERGY -1.526604045614e+02
+FORCES  4.4390000000e-04  6.7320000000e-04  1.5125000000e-03 -9.8090000000e-04 -4.6061000000e-03  7.4500000000e-04  3.9729000000e-03  1.4210000000e-03 -4.1659000000e-03 -6.0136000000e-03  1.0886200000e-02 -2.8121000000e-03  3.9714000000e-03 -8.1216000000e-03  2.6709000000e-03 -1.3936000000e-03 -2.5260000000e-04  2.0495000000e-03
+
+JOB 19
+COORDS -4.8773200000e-01  1.1709510000e+00 -7.1083500000e-01 -6.8513000000e-02  1.7024830000e+00 -3.4108000000e-02 -3.2978600000e-01  2.6709500000e-01 -4.3820100000e-01  4.3556300000e-01 -1.1479190000e+00  5.9420200000e-01  1.1711100000e+00 -6.9936500000e-01  1.0113360000e+00  5.1784000000e-02 -1.6793630000e+00  1.2917070000e+00
+ENERGY -1.526593254265e+02
+FORCES  3.6350000000e-03 -9.5447000000e-03  7.5550000000e-03 -3.1280000000e-04 -1.4312000000e-03 -1.7067000000e-03 -1.4996000000e-03  7.7635000000e-03 -4.4679000000e-03  1.4780000000e-04  1.3143000000e-03  3.2250000000e-03 -4.8773000000e-03 -1.0543000000e-03 -1.8576000000e-03  2.9067000000e-03  2.9524000000e-03 -2.7478000000e-03
+
+JOB 20
+COORDS -3.7090000000e-03 -1.4229670000e+00 -2.5139700000e-01  2.1611700000e-01 -5.0136100000e-01 -1.1520000000e-01  6.9538100000e-01 -1.9043600000e+00  1.9105600000e-01 -9.2849000000e-02  1.3486870000e+00  2.2433100000e-01  5.2142800000e-01  1.6377540000e+00  8.9911800000e-01  8.8228000000e-02  1.9169330000e+00 -5.2436100000e-01
+ENERGY -1.526597926556e+02
+FORCES  6.3970000000e-04  1.0482700000e-02  2.8166000000e-03  3.1058000000e-03 -1.0704800000e-02 -1.7721000000e-03 -1.8593000000e-03  3.1863000000e-03 -7.2850000000e-04  6.2430000000e-04  3.2704000000e-03 -3.7230000000e-04 -2.3228000000e-03 -2.9047000000e-03 -4.3023000000e-03 -1.8770000000e-04 -3.3301000000e-03  4.3585000000e-03
+
+JOB 21
+COORDS  1.4054180000e+00 -2.1712400000e-01 -1.3345700000e-01  2.0536110000e+00  1.1584400000e-01  4.8719500000e-01  7.8217800000e-01  5.0176500000e-01 -2.3835100000e-01 -1.3462350000e+00  1.3859400000e-01  1.1073800000e-01 -2.1310630000e+00 -4.0906600000e-01  1.2929500000e-01 -1.6746790000e+00  1.0232950000e+00 -4.9454000000e-02
+ENERGY -1.526535083738e+02
+FORCES -7.5877000000e-03  2.9512000000e-03  2.6580000000e-03 -3.2907000000e-03 -1.0226000000e-03 -1.9540000000e-03  5.8843000000e-03  1.9680000000e-03 -1.1690000000e-03 -2.6610000000e-03 -3.2184000000e-03 -2.0080000000e-04  2.8527000000e-03  3.1999000000e-03  2.6370000000e-04  4.8024000000e-03 -3.8780000000e-03  4.0210000000e-04
+
+JOB 22
+COORDS -1.1074900000e-01  1.3422500000e+00 -5.9796300000e-01 -3.9340600000e-01  4.5417500000e-01 -3.7965400000e-01  8.3159500000e-01  1.3422820000e+00 -4.2997900000e-01  3.8836000000e-02 -1.2505240000e+00  5.6401000000e-01 -1.5121500000e-01 -2.0161680000e+00  1.1061380000e+00  9.4086200000e-01 -1.3813880000e+00  2.7168200000e-01
+ENERGY -1.526583085321e+02
+FORCES  1.3627000000e-03 -8.9594000000e-03  6.0588000000e-03  1.3129000000e-03  6.0749000000e-03 -4.6362000000e-03 -1.9457000000e-03 -3.8400000000e-04 -1.2886000000e-03  1.3915000000e-03 -1.7412000000e-03  1.0908000000e-03  2.3638000000e-03  3.1359000000e-03 -2.5013000000e-03 -4.4852000000e-03  1.8738000000e-03  1.2764000000e-03
+
+JOB 23
+COORDS -2.3880000000e-03 -1.2024730000e+00 -6.8900200000e-01 -5.0757500000e-01 -1.2730480000e+00 -1.4989630000e+00 -4.1243300000e-01 -1.8310400000e+00 -9.4866000000e-02 -1.8290000000e-03  1.2564990000e+00  7.3847400000e-01  2.4782700000e-01  4.5437600000e-01  2.7967000000e-01  7.2104900000e-01  1.8619820000e+00  5.7394900000e-01
+ENERGY -1.526615637945e+02
+FORCES -5.1926000000e-03 -2.3330000000e-04 -7.7980000000e-04  2.2375000000e-03 -1.1315000000e-03  3.8170000000e-03  1.8636000000e-03  3.2553000000e-03 -3.3148000000e-03  2.3150000000e-03 -7.5626000000e-03 -6.0693000000e-03  8.7830000000e-04  8.3621000000e-03  6.8081000000e-03 -2.1019000000e-03 -2.6900000000e-03 -4.6120000000e-04
+
+JOB 24
+COORDS  1.3112310000e+00  5.9452500000e-01  2.3403200000e-01  1.5894640000e+00  1.7320500000e-01 -5.7917700000e-01  6.5533300000e-01  1.2355610000e+00 -4.0015000000e-02 -1.3424810000e+00 -6.0526900000e-01 -1.3317300000e-01 -1.0515830000e+00 -2.4750000000e-02 -8.3645700000e-01 -6.5051700000e-01 -1.2629320000e+00 -6.3186000000e-02
+ENERGY -1.526504657095e+02
+FORCES -5.1458000000e-03  1.1137000000e-03 -2.6169000000e-03 -3.5154000000e-03  3.6100000000e-04  3.5322000000e-03  2.4730000000e-03 -3.1176000000e-03 -1.4358000000e-03  1.0237800000e-02  6.5060000000e-04  5.9540000000e-04 -1.9700000000e-05  4.8760000000e-04  2.1270000000e-03 -4.0298000000e-03  5.0460000000e-04 -2.2019000000e-03
+
+JOB 25
+COORDS -5.4022100000e-01  8.9645600000e-01  1.0352160000e+00 -7.1553300000e-01  7.0615800000e-01  1.1365000000e-01  1.5852000000e-01  1.5504010000e+00  1.0165240000e+00  5.2642100000e-01 -8.6583900000e-01 -9.3874100000e-01  9.7538000000e-02 -9.3542500000e-01 -1.7916470000e+00  7.1560600000e-01 -1.7707810000e+00 -6.9070900000e-01
+ENERGY -1.526551064507e+02
+FORCES  6.5006000000e-03 -4.1761000000e-03 -8.4951000000e-03 -4.0207000000e-03  4.6006000000e-03  2.4688000000e-03 -2.6495000000e-03 -1.5274000000e-03  7.3820000000e-04  1.0360000000e-04 -4.8407000000e-03  2.4872000000e-03  4.3530000000e-04  2.2455000000e-03  5.3364000000e-03 -3.6930000000e-04  3.6982000000e-03 -2.5354000000e-03
+
+JOB 26
+COORDS -2.1205600000e-01 -1.4749000000e+00  6.1102000000e-02 -6.1332200000e-01 -1.7730440000e+00 -7.5518700000e-01 -1.1113700000e-01 -5.2981200000e-01 -5.2280000000e-02  2.1473900000e-01  1.3786640000e+00 -2.7396000000e-02  5.9650700000e-01  1.6024870000e+00  8.2136000000e-01  1.1321200000e-01  2.2191680000e+00 -4.7402700000e-01
+ENERGY -1.526612784853e+02
+FORCES -1.9410000000e-04  8.9101000000e-03 -3.8452000000e-03  1.1140000000e-03  1.1419000000e-03  2.1998000000e-03 -4.0150000000e-04 -9.1627000000e-03  2.4518000000e-03  3.8900000000e-04  2.4221000000e-03  6.9300000000e-04 -2.0478000000e-03 -5.4690000000e-04 -4.6312000000e-03  1.1405000000e-03 -2.7645000000e-03  3.1319000000e-03
+
+JOB 27
+COORDS -5.1431600000e-01 -1.3945340000e+00  3.9460000000e-03 -2.4259100000e-01 -1.7343790000e+00  8.5653200000e-01  7.1747000000e-02 -6.5515600000e-01 -1.5755100000e-01  5.1765600000e-01  1.3314700000e+00 -2.3100000000e-04  6.5153400000e-01  1.7462280000e+00 -8.5245400000e-01 -3.2663400000e-01  1.6677240000e+00  3.0033300000e-01
+ENERGY -1.526612877664e+02
+FORCES  6.3832000000e-03  7.5852000000e-03  2.1540000000e-03 -1.2233000000e-03  1.4103000000e-03 -2.4731000000e-03 -4.1867000000e-03 -8.9625000000e-03 -9.3390000000e-04 -4.4797000000e-03  3.9068000000e-03 -9.4730000000e-04 -1.2512000000e-03 -2.7363000000e-03  4.0047000000e-03  4.7577000000e-03 -1.2034000000e-03 -1.8043000000e-03
+
+JOB 28
+COORDS  1.2119600000e-01 -3.1295900000e-01 -1.4771360000e+00  1.1948400000e-01  6.1564000000e-02 -5.9624900000e-01  9.4483400000e-01 -1.4800000000e-02 -1.8630800000e+00 -1.1227100000e-01  3.0173400000e-01  1.4232930000e+00 -1.0227570000e+00  4.7271300000e-01  1.1824330000e+00 -1.6711800000e-01 -3.5216300000e-01  2.1201730000e+00
+ENERGY -1.526600699832e+02
+FORCES  4.0516000000e-03  2.3825000000e-03  7.2995000000e-03 -3.8899000000e-03  4.9030000000e-04 -9.0380000000e-03 -2.5848000000e-03 -1.0096000000e-03  1.5166000000e-03 -3.2849000000e-03 -4.2147000000e-03  3.9422000000e-03  6.3425000000e-03 -1.5066000000e-03 -1.4178000000e-03 -6.3450000000e-04  3.8581000000e-03 -2.3026000000e-03
+
+JOB 29
+COORDS -1.0367900000e-01  7.0832000000e-02 -1.5512750000e+00  4.1740400000e-01  6.2770000000e-03 -7.5093900000e-01 -1.0110140000e+00  8.2757000000e-02 -1.2465890000e+00  8.8477000000e-02 -4.6335000000e-02  1.4270620000e+00  4.2277100000e-01 -9.1655200000e-01  1.6443230000e+00  3.4343800000e-01  5.0101400000e-01  2.1697830000e+00
+ENERGY -1.526597276732e+02
+FORCES -2.0892000000e-03  1.0778000000e-03  1.0576200000e-02  1.2580000000e-03 -1.9675000000e-03 -7.0840000000e-03  1.7268000000e-03 -3.4030000000e-04 -3.2892000000e-03  1.3163000000e-03 -2.7680000000e-04  4.9960000000e-03 -1.0221000000e-03  4.7765000000e-03 -2.1155000000e-03 -1.1899000000e-03 -3.2698000000e-03 -3.0834000000e-03
+
+JOB 30
+COORDS -1.1857780000e+00 -2.7826500000e-01  8.0573500000e-01 -1.4257170000e+00  5.0063500000e-01  1.3077080000e+00 -2.0139500000e+00 -7.3669300000e-01  6.6358300000e-01  1.2478250000e+00  2.4767400000e-01 -8.9459700000e-01  1.9916560000e+00  4.2938500000e-01 -3.2020300000e-01  4.8649100000e-01  2.6707500000e-01 -3.1474700000e-01
+ENERGY -1.526602334892e+02
+FORCES -5.8557000000e-03 -1.4195000000e-03  3.7140000000e-04  2.1933000000e-03 -3.4649000000e-03 -3.1331000000e-03  2.9924000000e-03  2.7391000000e-03  2.1039000000e-03 -4.5556000000e-03 -1.9356000000e-03  6.2117000000e-03 -2.8304000000e-03 -2.2980000000e-04 -1.4996000000e-03  8.0560000000e-03  4.3107000000e-03 -4.0544000000e-03
+
+JOB 31
+COORDS -1.0986980000e+00 -9.1212100000e-01 -5.9659200000e-01 -9.1838200000e-01 -1.8486270000e+00 -5.1489400000e-01 -4.4402800000e-01 -4.9211300000e-01 -3.8711000000e-02  1.0361870000e+00  8.7763500000e-01  5.6414000000e-01  1.9099670000e+00  1.2681850000e+00  5.7862800000e-01  4.4198100000e-01  1.6223130000e+00  4.7136200000e-01
+ENERGY -1.526601140338e+02
+FORCES  7.1079000000e-03 -1.7610000000e-04  3.4214000000e-03 -5.0960000000e-04  2.9374000000e-03 -3.5670000000e-04 -8.2951000000e-03 -2.1800000000e-03 -2.5000000000e-03  3.0855000000e-03  4.4013000000e-03 -1.3726000000e-03 -4.0363000000e-03 -2.7000000000e-04  2.6140000000e-04  2.6475000000e-03 -4.7126000000e-03  5.4650000000e-04
+
+JOB 32
+COORDS -1.0482900000e+00  1.0693560000e+00  7.9591000000e-02 -1.9409900000e+00  7.2678500000e-01  1.2390900000e-01 -9.2723800000e-01  1.3054920000e+00 -8.4009300000e-01  1.1650270000e+00 -1.0466630000e+00 -3.1802000000e-02  4.4575400000e-01 -5.8392900000e-01  3.9803100000e-01  7.4988300000e-01 -1.8025240000e+00 -4.4720700000e-01
+ENERGY -1.526593263067e+02
+FORCES -2.7395000000e-03  2.2113000000e-03 -5.5313000000e-03  4.9294000000e-03  2.8900000000e-04 -3.6690000000e-04 -1.9003000000e-03 -1.1293000000e-03  4.4816000000e-03 -7.2640000000e-03  2.7180000000e-03  1.0589000000e-03  5.8865000000e-03 -6.9345000000e-03 -7.1720000000e-04  1.0879000000e-03  2.8455000000e-03  1.0749000000e-03
+
+JOB 33
+COORDS  6.6977300000e-01  8.0078000000e-02 -1.3273730000e+00  1.6000280000e+00 -1.3617100000e-01 -1.2633850000e+00  6.4485900000e-01  8.7963900000e-01 -1.8530270000e+00 -7.7549500000e-01 -9.2977000000e-02  1.3659350000e+00 -3.9107900000e-01 -1.7945100000e-01  4.9359500000e-01 -8.7812000000e-02 -3.9014100000e-01  1.9617680000e+00
+ENERGY -1.526607243660e+02
+FORCES  3.5382000000e-03  3.8402000000e-03 -3.0866000000e-03 -4.3988000000e-03  1.2334000000e-03  1.9340000000e-04  1.2135000000e-03 -4.0488000000e-03  1.8558000000e-03  5.6740000000e-03 -7.0410000000e-04 -5.9740000000e-03 -4.2038000000e-03 -1.2472000000e-03  9.0525000000e-03 -1.8232000000e-03  9.2640000000e-04 -2.0411000000e-03
+
+JOB 34
+COORDS  1.3885700000e-01 -7.5852300000e-01 -1.4464000000e+00  2.1843200000e-01  9.9831000000e-02 -1.8624850000e+00 -4.0080000000e-02 -5.6363400000e-01 -5.2649100000e-01 -1.5297100000e-01  6.3483500000e-01  1.4310340000e+00 -6.5428500000e-01  1.3852240000e+00  1.1119210000e+00  7.4275000000e-01  9.6214300000e-01  1.5134080000e+00
+ENERGY -1.526593237799e+02
+FORCES -1.0256000000e-03  4.7098000000e-03  5.8361000000e-03 -2.0430000000e-04 -2.5510000000e-03  1.3862000000e-03  1.1904000000e-03 -2.6673000000e-03 -8.8033000000e-03  1.7075000000e-03  6.2924000000e-03  2.8786000000e-03  3.0591000000e-03 -4.2338000000e-03  9.5800000000e-05 -4.7271000000e-03 -1.5501000000e-03 -1.3933000000e-03
+
+JOB 35
+COORDS -1.3981790000e+00  8.6828300000e-01  6.0515000000e-02 -7.9742800000e-01  1.4163740000e+00  5.6541700000e-01 -9.0818000000e-01  6.2351000000e-02 -1.0260300000e-01  1.2849730000e+00 -8.8267100000e-01 -9.6128000000e-02  1.6505990000e+00 -7.8373700000e-01  7.8294000000e-01  1.8634650000e+00 -3.6518500000e-01 -6.5629400000e-01
+ENERGY -1.526590912748e+02
+FORCES  7.5818000000e-03 -3.6731000000e-03  8.4700000000e-04 -2.2804000000e-03 -7.5510000000e-04 -1.2109000000e-03 -6.5480000000e-03  4.6471000000e-03  5.8790000000e-04  6.2405000000e-03  1.3970000000e-03  7.0820000000e-04 -2.2306000000e-03  5.0100000000e-04 -4.1774000000e-03 -2.7633000000e-03 -2.1169000000e-03  3.2451000000e-03
+
+JOB 36
+COORDS -6.4753700000e-01  1.4230960000e+00  1.6424000000e-02 -1.5074730000e+00  1.0121210000e+00  1.0497200000e-01 -6.7426400000e-01  1.8538920000e+00 -8.3793700000e-01  6.9141500000e-01 -1.4674750000e+00  8.1382000000e-02  9.7877800000e-01 -1.7133390000e+00 -7.9793800000e-01  5.5194500000e-01 -5.2174700000e-01  3.2614000000e-02
+ENERGY -1.526602510347e+02
+FORCES -6.2831000000e-03  2.5425000000e-03 -2.3770000000e-03  4.7036000000e-03  2.1001000000e-03 -1.0521000000e-03  3.1640000000e-04 -2.7628000000e-03  3.7451000000e-03 -7.2500000000e-05  6.3073000000e-03 -2.7446000000e-03 -1.3041000000e-03  1.1164000000e-03  2.8191000000e-03  2.6397000000e-03 -9.3035000000e-03 -3.9050000000e-04
+
+JOB 37
+COORDS -4.9925000000e-02 -1.2897360000e+00 -8.9781000000e-01 -9.4063200000e-01 -1.2758570000e+00 -5.4755500000e-01 -1.6594200000e-01 -1.3284020000e+00 -1.8471660000e+00  1.6465400000e-01  1.3377030000e+00  9.3978900000e-01  1.5546000000e-01  5.2235700000e-01  4.3843200000e-01 -6.9746500000e-01  1.3744170000e+00  1.3540780000e+00
+ENERGY -1.526581552595e+02
+FORCES -3.6472000000e-03 -2.4974000000e-03 -5.9134000000e-03  5.2733000000e-03  2.6848000000e-03 -1.8610000000e-04 -1.1290000000e-04 -6.3170000000e-04  4.5864000000e-03 -1.3557000000e-03 -5.0744000000e-03 -2.4957000000e-03 -2.8667000000e-03  6.4701000000e-03  6.1328000000e-03  2.7092000000e-03 -9.5140000000e-04 -2.1239000000e-03
+
+JOB 38
+COORDS  1.0158310000e+00 -1.0563580000e+00  6.3606300000e-01  1.9276900000e+00 -1.2557570000e+00  4.2396200000e-01  9.9712700000e-01 -1.0554100000e-01  7.4482500000e-01 -1.0571740000e+00  9.4927900000e-01 -6.5670500000e-01 -1.1206530000e+00  1.7678730000e+00 -1.1487460000e+00 -1.0520070000e+00  1.2207750000e+00  2.6117100000e-01
+ENERGY -1.526525007458e+02
+FORCES  2.3392000000e-03  4.2016000000e-03 -3.2663000000e-03 -3.6574000000e-03  7.1930000000e-04  7.6830000000e-04  1.6150000000e-04 -3.1832000000e-03  2.8995000000e-03 -2.2710000000e-03  3.6616000000e-03  1.3759000000e-03  7.9340000000e-04 -4.0238000000e-03  2.1035000000e-03  2.6343000000e-03 -1.3755000000e-03 -3.8809000000e-03
+
+JOB 39
+COORDS -4.4003600000e-01  6.8606500000e-01 -1.3707960000e+00  4.7344200000e-01  7.5883200000e-01 -1.0942180000e+00 -4.4393500000e-01  1.0064600000e+00 -2.2727740000e+00  3.6427700000e-01 -6.5629700000e-01  1.4461910000e+00  1.1870350000e+00 -5.9277400000e-01  9.6114900000e-01  7.1730000000e-03 -1.5102200000e+00  1.2022160000e+00
+ENERGY -1.526524827618e+02
+FORCES  3.6323000000e-03  2.5276000000e-03 -9.5710000000e-04 -2.2485000000e-03 -1.2749000000e-03 -2.0784000000e-03 -1.2200000000e-04 -1.7308000000e-03  4.2799000000e-03 -3.6130000000e-04 -3.8865000000e-03 -4.0477000000e-03 -3.1606000000e-03  1.4345000000e-03  7.0460000000e-04  2.2601000000e-03  2.9300000000e-03  2.0986000000e-03
+
+JOB 40
+COORDS -5.5898300000e-01  1.1529540000e+00  1.0785560000e+00 -1.4513890000e+00  8.9414300000e-01  1.3084690000e+00 -3.7176700000e-01  6.7649900000e-01  2.6974700000e-01  5.8886100000e-01 -1.0957300000e+00 -9.8465000000e-01  1.2967110000e+00 -8.7599100000e-01 -1.5903680000e+00 -3.6690000000e-03 -1.6455670000e+00 -1.4973090000e+00
+ENERGY -1.526591694068e+02
+FORCES -6.6260000000e-04 -5.7285000000e-03 -3.7817000000e-03  2.8421000000e-03  9.2320000000e-04 -8.9090000000e-04 -3.5154000000e-03  6.6297000000e-03  4.9775000000e-03  2.5894000000e-03 -3.6848000000e-03 -5.2647000000e-03 -3.7279000000e-03 -1.1268000000e-03  2.5317000000e-03  2.4743000000e-03  2.9871000000e-03  2.4280000000e-03
+
+JOB 41
+COORDS -8.9176500000e-01  5.5330000000e-03  1.4062190000e+00 -1.0251650000e+00  4.3960800000e-01  5.6359600000e-01 -1.5658960000e+00  3.7556000000e-01  1.9761840000e+00  9.4688500000e-01 -2.7107000000e-02 -1.3299000000e+00  4.0332600000e-01 -7.7314000000e-01 -1.5832980000e+00  1.2276320000e+00  3.5818800000e-01 -2.1599360000e+00
+ENERGY -1.526557089361e+02
+FORCES -1.3823000000e-03  4.1057000000e-03 -2.0610000000e-03 -2.7382000000e-03 -2.6870000000e-03  4.7383000000e-03  2.8509000000e-03 -1.3220000000e-03 -2.4616000000e-03  1.1651000000e-03 -2.9744000000e-03 -4.8300000000e-03  1.5041000000e-03  4.5081000000e-03  8.3500000000e-04 -1.3995000000e-03 -1.6304000000e-03  3.7793000000e-03
+
+JOB 42
+COORDS -7.0900000000e-02  1.5393690000e+00  8.3537300000e-01  1.0643100000e-01  1.3236000000e+00 -8.0175000000e-02 -1.0142830000e+00  1.4107000000e+00  9.3388100000e-01  1.7709500000e-01 -1.5415330000e+00 -7.8223700000e-01 -3.3103400000e-01 -1.0326730000e+00 -1.5049400000e-01 -4.2451700000e-01 -1.6873050000e+00 -1.5123360000e+00
+ENERGY -1.526548799949e+02
+FORCES -1.6082000000e-03  1.3972000000e-03 -3.6553000000e-03 -2.6159000000e-03  2.8450000000e-04  5.2026000000e-03  4.5002000000e-03 -1.3935000000e-03 -8.7670000000e-04 -4.0067000000e-03 -4.4240000000e-04  1.0926000000e-03  1.1791000000e-03 -1.4554000000e-03 -5.1020000000e-03  2.5515000000e-03  1.6096000000e-03  3.3388000000e-03
+
+JOB 43
+COORDS -5.6770800000e-01  1.4764100000e+00  7.2305200000e-01 -1.4470730000e+00  1.5178880000e+00  3.4724600000e-01  1.4021000000e-02  1.7061530000e+00 -1.5450000000e-03  5.8846700000e-01 -1.5389440000e+00 -6.9973000000e-01  1.6742600000e-01 -1.5766090000e+00  1.5906900000e-01  9.4377000000e-01 -6.5179400000e-01 -7.5411300000e-01
+ENERGY -1.526555964774e+02
+FORCES -2.7818000000e-03  2.8562000000e-03 -4.6164000000e-03  4.0235000000e-03 -1.4670000000e-04  1.9337000000e-03 -1.4342000000e-03 -2.8839000000e-03  2.9941000000e-03 -9.4480000000e-04  4.4602000000e-03  5.4680000000e-03  1.7876000000e-03 -1.9090000000e-03 -4.1160000000e-03 -6.5030000000e-04 -2.3769000000e-03 -1.6635000000e-03
+
+JOB 44
+COORDS -7.3478700000e-01  8.9816000000e-01  1.2432120000e+00 -1.0105600000e-01  1.5709820000e+00  9.9436000000e-01 -1.5679260000e+00  1.3650980000e+00  1.3070890000e+00  7.4483400000e-01 -9.2872100000e-01 -1.2891160000e+00  7.3714500000e-01 -5.6821800000e-01 -4.0243100000e-01  7.6843700000e-01 -1.8771970000e+00 -1.1623590000e+00
+ENERGY -1.526568696951e+02
+FORCES -3.4611000000e-03  5.6671000000e-03 -7.9770000000e-04 -1.9320000000e-03 -4.3681000000e-03  7.0570000000e-04  3.6995000000e-03 -1.3712000000e-03  4.1120000000e-04 -2.0101000000e-03 -2.0464000000e-03  5.6573000000e-03  3.6289000000e-03 -1.2734000000e-03 -5.1958000000e-03  7.4800000000e-05  3.3921000000e-03 -7.8070000000e-04
+
+JOB 45
+COORDS -1.8032600000e-01 -1.2627720000e+00 -1.3317440000e+00  3.4649100000e-01 -1.5569780000e+00 -5.8868300000e-01 -2.6099600000e-01 -3.1688400000e-01 -1.2091840000e+00  1.4700400000e-01  1.1642080000e+00  1.2628890000e+00  8.2171000000e-01  1.7801320000e+00  9.7716000000e-01 -4.0850900000e-01  1.6735290000e+00  1.8529990000e+00
+ENERGY -1.526574923308e+02
+FORCES  1.2331000000e-03  3.9266000000e-03  6.0898000000e-03 -1.3042000000e-03 -4.2640000000e-04 -3.9248000000e-03  5.4760000000e-04 -3.9720000000e-03 -3.5771000000e-03 -3.7300000000e-05  5.4327000000e-03  3.4413000000e-03 -3.2454000000e-03 -3.1138000000e-03  5.1520000000e-04  2.8062000000e-03 -1.8470000000e-03 -2.5443000000e-03
+
+JOB 46
+COORDS  6.7417300000e-01  9.7529600000e-01  1.3580150000e+00  9.5253500000e-01  1.1063700000e-01  1.0561690000e+00  1.4737660000e+00  1.5014200000e+00  1.3493180000e+00 -7.4288300000e-01 -9.3396100000e-01 -1.2724570000e+00 -9.1560600000e-01 -1.7969060000e+00 -1.6489190000e+00 -5.1994600000e-01 -3.8455800000e-01 -2.0239130000e+00
+ENERGY -1.526552495795e+02
+FORCES  3.1592000000e-03 -2.9356000000e-03 -2.0202000000e-03  8.8720000000e-04  4.5312000000e-03  3.1055000000e-03 -3.2404000000e-03 -1.9580000000e-03 -3.5490000000e-04 -1.2285000000e-03 -3.9850000000e-04 -5.4539000000e-03  1.0042000000e-03  3.7176000000e-03  1.8411000000e-03 -5.8170000000e-04 -2.9567000000e-03  2.8823000000e-03
+
+JOB 47
+COORDS  1.3286100000e-01 -1.8364000000e-01 -1.7919550000e+00  8.2865000000e-02  5.4229300000e-01 -1.1700590000e+00  3.7922600000e-01  2.2693500000e-01 -2.6207880000e+00 -1.7296800000e-01  5.5663000000e-02  1.8059970000e+00  5.2800600000e-01  3.4019000000e-01  2.3924360000e+00 -3.1332700000e-01  8.0008700000e-01  1.2208770000e+00
+ENERGY -1.526515150579e+02
+FORCES  9.9090000000e-04  4.1058000000e-03 -7.3510000000e-04 -5.0750000000e-04 -1.4896000000e-03 -1.6155000000e-03 -9.7330000000e-04 -1.9517000000e-03  3.7470000000e-03  2.4265000000e-03  3.6264000000e-03  1.0318000000e-03 -3.2191000000e-03 -1.2019000000e-03 -2.5618000000e-03  1.2824000000e-03 -3.0889000000e-03  1.3350000000e-04
+
+JOB 48
+COORDS  5.5087600000e-01 -1.4998210000e+00  9.4008300000e-01  3.2710100000e-01 -7.1050200000e-01  4.4700000000e-01  5.7040000000e-03 -1.4547220000e+00  1.7255680000e+00 -4.5830900000e-01  1.4701230000e+00 -9.1134900000e-01 -4.4822200000e-01  1.5463900000e+00 -1.8654520000e+00 -1.3425390000e+00  1.1677730000e+00 -7.0410000000e-01
+ENERGY -1.526575774581e+02
+FORCES -1.9590000000e-03  5.0366000000e-03  3.8620000000e-04 -4.7000000000e-05 -6.5955000000e-03  3.9287000000e-03  1.5991000000e-03 -2.2530000000e-04 -3.1715000000e-03 -4.0353000000e-03  1.7881000000e-03 -5.5142000000e-03 -5.0510000000e-04 -1.0210000000e-04  4.3551000000e-03  4.9473000000e-03  9.8200000000e-05  1.5800000000e-05
+
+JOB 49
+COORDS  3.4770100000e-01  8.4620000000e-01 -1.5007010000e+00  2.0817900000e-01  1.1917530000e+00 -2.3823800000e+00  6.2618100000e-01  1.6043980000e+00 -9.8706900000e-01 -4.1759000000e-01 -9.0060100000e-01  1.5536630000e+00 -1.4810600000e-01 -6.8993100000e-01  6.5966700000e-01  3.4520700000e-01 -1.3318020000e+00  1.9389400000e+00
+ENERGY -1.526581898572e+02
+FORCES -1.3900000000e-05  5.5244000000e-03 -3.5566000000e-03  1.0208000000e-03 -7.5830000000e-04  3.7501000000e-03 -9.9190000000e-04 -3.8602000000e-03 -2.1918000000e-03  3.6889000000e-03 -9.5210000000e-04 -3.8931000000e-03 -9.1770000000e-04 -1.7754000000e-03  7.1741000000e-03 -2.7862000000e-03  1.8215000000e-03 -1.2828000000e-03
+
+JOB 50
+COORDS  4.0810300000e-01  1.0027560000e+00 -1.4659360000e+00  1.1219000000e-02  1.8285770000e+00 -1.7429470000e+00 -3.3358100000e-01  4.1188100000e-01 -1.3355370000e+00 -3.0551000000e-01 -9.7252100000e-01  1.5043550000e+00 -1.2498280000e+00 -8.8759900000e-01  1.3728840000e+00 -8.1116000000e-02 -1.8100560000e+00  1.0988750000e+00
+ENERGY -1.526530284942e+02
+FORCES -4.4383000000e-03  6.7080000000e-04  1.1628000000e-03  1.5073000000e-03 -3.4011000000e-03  1.1804000000e-03  2.1818000000e-03  2.1666000000e-03 -2.2358000000e-03 -1.8331000000e-03 -3.3590000000e-03 -7.9800000000e-04  4.0930000000e-03  1.1310000000e-04 -6.3930000000e-04 -1.5107000000e-03  3.8096000000e-03  1.3300000000e-03
+
+JOB 51
+COORDS -1.5497190000e+00 -1.1041120000e+00 -2.7968100000e-01 -9.5325200000e-01 -1.0246520000e+00 -1.0240910000e+00 -1.3031060000e+00 -3.8598400000e-01  3.0316200000e-01  1.4904090000e+00  1.1246370000e+00  2.8876000000e-01  1.5581340000e+00  5.1887300000e-01 -4.4927500000e-01  1.5679440000e+00  5.6826300000e-01  1.0637880000e+00
+ENERGY -1.526550048142e+02
+FORCES  2.5958000000e-03  4.7532000000e-03 -8.8120000000e-04 -1.4281000000e-03 -9.2460000000e-04  3.0171000000e-03 -1.2392000000e-03 -4.6124000000e-03 -1.9585000000e-03  3.3283000000e-03 -4.2343000000e-03  5.1490000000e-04 -1.8745000000e-03  2.4178000000e-03  2.9689000000e-03 -1.3823000000e-03  2.6002000000e-03 -3.6612000000e-03
+
+JOB 52
+COORDS  6.2356300000e-01 -6.2590700000e-01 -1.6034270000e+00  8.2921500000e-01  2.5478900000e-01 -1.2898760000e+00  1.2432790000e+00 -7.7738800000e-01 -2.3170360000e+00 -6.8283500000e-01  6.2738400000e-01  1.6711800000e+00 -2.0616800000e-01  6.8368200000e-01  8.4301800000e-01 -1.0126870000e+00 -2.7079700000e-01  1.6976490000e+00
+ENERGY -1.526541998503e+02
+FORCES  4.6307000000e-03  2.4320000000e-03 -3.8919000000e-03 -2.3988000000e-03 -3.8329000000e-03  1.4334000000e-03 -2.8184000000e-03  6.5560000000e-04  3.0020000000e-03  9.5100000000e-05 -5.2042000000e-03 -3.7459000000e-03 -4.6360000000e-04  1.8386000000e-03  2.2068000000e-03  9.5500000000e-04  4.1109000000e-03  9.9550000000e-04
+
+JOB 53
+COORDS  2.3264500000e-01  1.7839690000e+00 -5.0525600000e-01  8.0969200000e-01  1.0471870000e+00 -3.0425900000e-01  6.5479900000e-01  2.2253140000e+00 -1.2422990000e+00 -2.2365000000e-01 -1.7778680000e+00  5.3101100000e-01 -7.5589500000e-01 -1.1716490000e+00  1.5797000000e-02 -8.4436900000e-01 -2.1926020000e+00  1.1301230000e+00
+ENERGY -1.526570773918e+02
+FORCES  5.3336000000e-03 -3.4640000000e-04 -1.6404000000e-03 -3.6882000000e-03  3.7151000000e-03 -2.0718000000e-03 -1.6953000000e-03 -1.8257000000e-03  3.0515000000e-03 -5.8871000000e-03  3.5320000000e-04  9.0170000000e-04  3.5600000000e-03 -3.2917000000e-03  2.3567000000e-03  2.3770000000e-03  1.3955000000e-03 -2.5977000000e-03
+
+JOB 54
+COORDS -2.4274200000e-01 -1.5843440000e+00 -1.0332780000e+00 -9.9361200000e-01 -1.8221490000e+00 -4.8933500000e-01  2.4932500000e-01 -2.3993460000e+00 -1.1326430000e+00  2.8480400000e-01  1.5905510000e+00  1.0500300000e+00  1.4823000000e-02  1.5165820000e+00  1.3467700000e-01  5.5888000000e-02  2.4868140000e+00  1.2960810000e+00
+ENERGY -1.526556117084e+02
+FORCES -3.7160000000e-04 -4.9497000000e-03  2.6339000000e-03  2.7830000000e-03  9.4970000000e-04 -2.8389000000e-03 -2.2973000000e-03  3.0481000000e-03  2.0340000000e-04 -1.5362000000e-03  2.4948000000e-03 -3.7784000000e-03  5.8640000000e-04  2.1479000000e-03  4.7196000000e-03  8.3580000000e-04 -3.6908000000e-03 -9.3950000000e-04
+
+JOB 55
+COORDS -1.4632070000e+00  1.1760270000e+00 -7.1842800000e-01 -1.4788450000e+00  2.0598360000e+00 -1.0856720000e+00 -5.5396300000e-01  1.0436920000e+00 -4.5011000000e-01  1.3968390000e+00 -1.1523540000e+00  7.3205700000e-01  1.5008250000e+00 -1.7936410000e+00  1.4350300000e+00  1.6157610000e+00 -1.6334430000e+00 -6.5977000000e-02
+ENERGY -1.526563623092e+02
+FORCES  4.3015000000e-03  2.3193000000e-03  7.0170000000e-04  7.6200000000e-05 -3.4667000000e-03  1.3495000000e-03 -4.8250000000e-03  2.0997000000e-03 -2.8027000000e-03  1.1988000000e-03 -5.7832000000e-03  5.5490000000e-04  3.5100000000e-05  2.4081000000e-03 -3.0915000000e-03 -7.8660000000e-04  2.4228000000e-03  3.2882000000e-03
+
+JOB 56
+COORDS  1.4943660000e+00 -1.2677330000e+00 -5.6906200000e-01  7.9740700000e-01 -1.3526310000e+00 -1.2196560000e+00  1.3332870000e+00 -1.9801940000e+00  4.9553000000e-02 -1.4674600000e+00  1.2839420000e+00  5.1304300000e-01 -6.4902600000e-01  1.1062410000e+00  9.7652900000e-01 -1.8928480000e+00  1.9675590000e+00  1.0306760000e+00
+ENERGY -1.526558840784e+02
+FORCES -3.7325000000e-03 -3.6999000000e-03 -1.2722000000e-03  3.5037000000e-03 -1.2450000000e-04  2.7938000000e-03  7.2640000000e-04  3.2437000000e-03 -2.1584000000e-03  2.3708000000e-03  2.2821000000e-03  3.8005000000e-03 -4.6087000000e-03  1.0900000000e-03 -1.1768000000e-03  1.7404000000e-03 -2.7915000000e-03 -1.9870000000e-03
+
+JOB 57
+COORDS  1.2464200000e+00 -3.1625000000e-01 -1.5832720000e+00  1.4843490000e+00 -7.4943500000e-01 -2.4030120000e+00  4.0207900000e-01  9.5994000000e-02 -1.7659590000e+00 -1.2023070000e+00  3.1936700000e-01  1.6988930000e+00 -1.8953170000e+00 -1.1662600000e-01  1.2030310000e+00 -6.5888100000e-01  7.4017100000e-01  1.0326770000e+00
+ENERGY -1.526536496630e+02
+FORCES -1.5343000000e-03 -8.4110000000e-04 -5.1141000000e-03 -1.0999000000e-03  1.8978000000e-03  3.4459000000e-03  2.9922000000e-03 -1.3278000000e-03  2.1585000000e-03  5.3940000000e-04 -7.1080000000e-04 -4.4549000000e-03  2.6338000000e-03  2.0983000000e-03  1.7197000000e-03 -3.5313000000e-03 -1.1163000000e-03  2.2449000000e-03
+
+JOB 58
+COORDS -1.5760050000e+00  1.9057400000e-01  1.3008320000e+00 -8.3198000000e-01  5.8230400000e-01  1.7582230000e+00 -2.3421760000e+00  4.8288600000e-01  1.7945610000e+00  1.5823680000e+00 -2.9728100000e-01 -1.3449280000e+00  1.3525990000e+00  4.0088100000e-01 -7.3173300000e-01  1.6283810000e+00  1.3696000000e-01 -2.1967200000e+00
+ENERGY -1.526534905386e+02
+FORCES -7.1920000000e-04  2.1140000000e-03  4.5048000000e-03 -2.5742000000e-03 -1.1257000000e-03 -2.7665000000e-03  3.2361000000e-03 -1.2382000000e-03 -2.1318000000e-03 -2.0984000000e-03  4.4848000000e-03 -1.0604000000e-03  2.0350000000e-03 -2.4528000000e-03 -1.9194000000e-03  1.2060000000e-04 -1.7821000000e-03  3.3733000000e-03
+
+JOB 59
+COORDS -1.3285990000e+00  1.8854010000e+00  3.2026000000e-02 -9.4247400000e-01  2.0068890000e+00 -8.3537300000e-01 -9.9770100000e-01  1.0364260000e+00  3.2525100000e-01  1.2457380000e+00 -1.7853870000e+00 -2.0149000000e-02  2.1085330000e+00 -1.7691760000e+00  3.9404100000e-01  1.0170080000e+00 -2.7139160000e+00 -6.1956000000e-02
+ENERGY -1.526562761529e+02
+FORCES  3.5146000000e-03 -3.9102000000e-03 -2.4113000000e-03 -1.7694000000e-03  1.3350000000e-04  3.2361000000e-03 -2.2985000000e-03  4.5030000000e-03 -7.6410000000e-04  3.1688000000e-03 -4.4946000000e-03  1.4746000000e-03 -3.6710000000e-03 -1.3220000000e-04 -1.7630000000e-03  1.0556000000e-03  3.9004000000e-03  2.2760000000e-04
+
+JOB 60
+COORDS -1.2493310000e+00  1.4404340000e+00  1.0716810000e+00 -1.1188710000e+00  1.9567840000e+00  1.8670390000e+00 -2.1249670000e+00  1.6819130000e+00  7.6972000000e-01  1.3227780000e+00 -1.5050810000e+00 -1.1471950000e+00  1.2256330000e+00 -6.0290400000e-01 -8.4244900000e-01  7.8974200000e-01 -2.0213400000e+00 -5.4256200000e-01
+ENERGY -1.526560879439e+02
+FORCES -3.6449000000e-03  3.6263000000e-03  2.2107000000e-03 -5.7080000000e-04 -2.1818000000e-03 -3.3411000000e-03  3.6538000000e-03 -9.6440000000e-04  1.4412000000e-03 -3.2792000000e-03  2.3721000000e-03  4.2200000000e-03  1.4699000000e-03 -4.1539000000e-03 -1.9280000000e-03  2.3712000000e-03  1.3017000000e-03 -2.6028000000e-03
+
+JOB 61
+COORDS  2.1982020000e+00  2.7295400000e-01  6.4876000000e-01  1.7636310000e+00  1.0685700000e+00  3.4155500000e-01  2.7930350000e+00  3.4580000000e-02 -6.2284000000e-02 -2.2651220000e+00 -2.8974900000e-01 -6.0390100000e-01 -1.4886300000e+00  2.6967500000e-01 -6.2223600000e-01 -1.9431720000e+00 -1.1371800000e+00 -2.9658800000e-01
+ENERGY -1.526544651837e+02
+FORCES  2.1373000000e-03  2.7092000000e-03 -3.7022000000e-03  8.5760000000e-04 -3.9033000000e-03  9.3910000000e-04 -2.8407000000e-03  9.6670000000e-04  2.9699000000e-03  4.8140000000e-03 -1.6666000000e-03  1.7950000000e-03 -3.1762000000e-03 -1.4905000000e-03 -3.9680000000e-04 -1.7921000000e-03  3.3845000000e-03 -1.6050000000e-03
+
+JOB 62
+COORDS -1.1633600000e+00  5.9754600000e-01  1.9643270000e+00 -1.1316050000e+00 -3.5886400000e-01  1.9419170000e+00 -2.0966070000e+00  8.0571100000e-01  2.0084860000e+00  1.1950440000e+00 -4.9262600000e-01 -1.9734320000e+00  2.0295670000e+00 -8.9044500000e-01 -2.2215100000e+00  6.9827500000e-01 -1.2065450000e+00 -1.5737180000e+00
+ENERGY -1.526531894774e+02
+FORCES -3.6505000000e-03 -2.6595000000e-03 -7.3700000000e-05 -5.0500000000e-05  3.6288000000e-03 -1.0830000000e-04  3.8545000000e-03 -9.4960000000e-04 -9.7900000000e-05  1.4021000000e-03 -4.1770000000e-03  9.5670000000e-04 -3.4625000000e-03  1.6106000000e-03  9.8590000000e-04  1.9069000000e-03  2.5468000000e-03 -1.6626000000e-03
+
+JOB 63
+COORDS  3.4621200000e-01  6.2144800000e-01  2.3385760000e+00  3.4223200000e-01 -1.8621500000e-01  2.8522850000e+00  5.0971300000e-01  3.3377600000e-01  1.4403870000e+00 -3.7822000000e-01 -5.3662300000e-01 -2.3821430000e+00 -9.0706000000e-01 -5.6199300000e-01 -1.5847000000e+00  4.7748100000e-01 -8.7094200000e-01 -2.1133700000e+00
+ENERGY -1.526532124145e+02
+FORCES  1.0280000000e-03 -4.0965000000e-03 -9.9370000000e-04 -6.2900000000e-05  3.3509000000e-03 -2.4683000000e-03 -1.1184000000e-03  6.3020000000e-04  3.3453000000e-03  8.3980000000e-04 -1.5931000000e-03  3.4676000000e-03  2.9970000000e-03  8.5100000000e-05 -2.9200000000e-03 -3.6834000000e-03  1.6234000000e-03 -4.3100000000e-04
+
+JOB 64
+COORDS  3.5112300000e-01  1.7441600000e+00  1.5631420000e+00  8.1248600000e-01  1.3026620000e+00  2.2762030000e+00  2.9371400000e-01  2.6575320000e+00  1.8436530000e+00 -3.5037800000e-01 -1.7857820000e+00 -1.6810290000e+00 -9.0416100000e-01 -1.0394270000e+00 -1.4518770000e+00 -2.3194200000e-01 -2.2586160000e+00 -8.5723800000e-01
+ENERGY -1.526548624813e+02
+FORCES  2.0993000000e-03  2.4088000000e-03  4.0881000000e-03 -2.1111000000e-03  1.6354000000e-03 -2.9139000000e-03  2.0160000000e-04 -3.8102000000e-03 -1.0686000000e-03 -1.5467000000e-03  2.0552000000e-03  4.7138000000e-03  1.7913000000e-03 -3.6626000000e-03 -1.4871000000e-03 -4.3430000000e-04  1.3734000000e-03 -3.3324000000e-03
+
+JOB 65
+COORDS  6.1770500000e-01 -2.0504510000e+00  1.0443320000e+00  4.9151400000e-01 -2.3285250000e+00  1.9515150000e+00  6.7353700000e-01 -2.8673090000e+00  5.4849100000e-01 -6.2810900000e-01  2.0615690000e+00 -1.0368250000e+00 -3.2589700000e-01  2.9017910000e+00 -6.9197000000e-01 -6.5818900000e-01  2.1882070000e+00 -1.9851340000e+00
+ENERGY -1.526529754213e+02
+FORCES -6.6170000000e-04 -4.1567000000e-03  1.4774000000e-03  6.3440000000e-04  1.1309000000e-03 -3.6489000000e-03 -1.1720000000e-04  3.2671000000e-03  2.0250000000e-03  1.5110000000e-03  3.5647000000e-03 -2.2321000000e-03 -1.3790000000e-03 -3.3028000000e-03 -1.4273000000e-03  1.2500000000e-05 -5.0310000000e-04  3.8059000000e-03
+
+JOB 66
+COORDS  3.6105800000e-01 -4.0765600000e-01  2.3387870000e+00  4.0303900000e-01  3.7124100000e-01  2.8935760000e+00 -8.7553000000e-02 -1.0608540000e+00  2.8757340000e+00 -3.0300300000e-01  3.4660900000e-01 -2.4369440000e+00 -1.0857140000e+00  3.7803400000e-01 -1.8868450000e+00 -4.8699000000e-02  1.2630560000e+00 -2.5450490000e+00
+ENERGY -1.526538828320e+02
+FORCES -1.2365000000e-03  1.6570000000e-04  4.6025000000e-03 -3.2390000000e-04 -3.0893000000e-03 -2.4411000000e-03  1.7272000000e-03  2.8111000000e-03 -2.2478000000e-03 -1.7842000000e-03  3.5816000000e-03  2.8297000000e-03  2.7109000000e-03  7.2600000000e-05 -2.8960000000e-03 -1.0934000000e-03 -3.5417000000e-03  1.5270000000e-04
+
+JOB 67
+COORDS  9.4004400000e-01  2.3842060000e+00 -1.4667000000e-01  4.0240100000e-01  1.6736850000e+00 -4.9643100000e-01  7.4782400000e-01  3.1316760000e+00 -7.1286100000e-01 -9.0368100000e-01 -2.4389700000e+00  1.5169100000e-01 -2.2204300000e-01 -1.7707300000e+00  2.2279900000e-01 -1.4821270000e+00 -2.2718700000e+00  8.9580800000e-01
+ENERGY -1.526541500502e+02
+FORCES -2.9425000000e-03  8.2400000000e-04 -4.2354000000e-03  2.3500000000e-03  2.2531000000e-03  2.0712000000e-03  8.0340000000e-04 -3.0907000000e-03  2.4151000000e-03  6.5450000000e-04  2.7735000000e-03  3.9593000000e-03 -3.1880000000e-03 -2.1807000000e-03 -9.1910000000e-04  2.3226000000e-03 -5.7920000000e-04 -3.2911000000e-03
+
+JOB 68
+COORDS -4.7353300000e-01  2.4887070000e+00 -7.3035000000e-02 -5.0348800000e-01  3.4454300000e+00 -6.9119000000e-02 -9.6934800000e-01  2.2298970000e+00  7.0376400000e-01  4.7968000000e-01 -2.5819150000e+00  6.0940000000e-03  1.3223270000e+00 -2.1389240000e+00 -9.3591000000e-02 -1.0316000000e-02 -2.0310390000e+00  6.1656200000e-01
+ENERGY -1.526542716471e+02
+FORCES -2.4301000000e-03  3.4106000000e-03  2.8337000000e-03  1.2650000000e-04 -3.9786000000e-03  6.1800000000e-05  2.3133000000e-03  6.1120000000e-04 -3.0612000000e-03  1.4839000000e-03  4.6829000000e-03  1.5803000000e-03 -3.2595000000e-03 -2.2439000000e-03  6.2470000000e-04  1.7658000000e-03 -2.4822000000e-03 -2.0393000000e-03
+
+JOB 69
+COORDS -7.7793300000e-01 -1.9706550000e+00  1.5036180000e+00 -1.5569990000e+00 -2.3332810000e+00  1.9252710000e+00 -4.7398000000e-02 -2.4446720000e+00  1.9009300000e+00  7.9641100000e-01  2.0780110000e+00 -1.5403590000e+00  1.0771530000e+00  1.3881080000e+00 -9.3915200000e-01  2.2564600000e-01  1.6328880000e+00 -2.1667160000e+00
+ENERGY -1.526549438209e+02
+FORCES -5.9620000000e-04 -3.5536000000e-03  3.7180000000e-03  3.2741000000e-03  1.3691000000e-03 -1.7330000000e-03 -2.8947000000e-03  2.0591000000e-03 -1.7942000000e-03 -1.6550000000e-03 -5.0661000000e-03  3.9570000000e-04 -5.2420000000e-04  3.1547000000e-03 -2.7238000000e-03  2.3960000000e-03  2.0369000000e-03  2.1374000000e-03
+
+JOB 70
+COORDS -6.2581300000e-01  2.7594970000e+00 -1.7739100000e-01  1.5713600000e-01  2.2216760000e+00 -2.9559500000e-01 -1.1487130000e+00  2.2835820000e+00  4.6783200000e-01  5.7628100000e-01 -2.6579530000e+00  1.8767000000e-01  1.4313540000e+00 -3.0721030000e+00  3.0412500000e-01  3.3115700000e-01 -2.8630850000e+00 -7.1458600000e-01
+ENERGY -1.526549256465e+02
+FORCES  1.1023000000e-03 -4.5868000000e-03  2.3792000000e-03 -3.0510000000e-03  2.5791000000e-03  2.1180000000e-04  1.9227000000e-03  2.2784000000e-03 -2.6355000000e-03  2.4577000000e-03 -3.1429000000e-03 -3.1943000000e-03 -3.5098000000e-03  1.8350000000e-03 -5.2200000000e-04  1.0782000000e-03  1.0373000000e-03  3.7608000000e-03
+
+JOB 71
+COORDS  1.0485960000e+00  7.6080000000e-03  2.7745610000e+00  1.4452700000e-01  3.0939800000e-01  2.8629610000e+00  1.3585060000e+00 -8.8945000000e-02  3.6750410000e+00 -9.9704300000e-01  2.5099000000e-02 -2.8665840000e+00 -5.6379500000e-01 -2.8829300000e-01 -2.0726610000e+00 -1.8097730000e+00 -4.7859600000e-01 -2.9112430000e+00
+ENERGY -1.526544147698e+02
+FORCES -2.1592000000e-03  1.0642000000e-03  4.3603000000e-03  3.6211000000e-03 -1.4418000000e-03 -5.8860000000e-04 -1.3445000000e-03  3.7580000000e-04 -3.6825000000e-03 -1.1664000000e-03 -3.4041000000e-03  3.1374000000e-03 -2.1446000000e-03  1.3131000000e-03 -3.4262000000e-03  3.1935000000e-03  2.0928000000e-03  1.9950000000e-04
+
+JOB 72
+COORDS  3.5717000000e-02 -2.1879900000e-01  3.0916880000e+00 -5.2987200000e-01 -8.2807000000e-01  2.6172100000e+00 -4.9568000000e-02  6.0761900000e-01  2.6163020000e+00 -3.4733000000e-02  2.5930800000e-01 -3.0496480000e+00  9.0534500000e-01  2.3877200000e-01 -2.8705860000e+00 -3.0664700000e-01 -6.5760700000e-01 -3.0101380000e+00
+ENERGY -1.526543750194e+02
+FORCES -2.8730000000e-03  1.1126000000e-03 -3.8411000000e-03  2.4221000000e-03  2.3027000000e-03  1.9085000000e-03  4.9100000000e-04 -3.4683000000e-03  2.0331000000e-03  2.9363000000e-03 -3.8708000000e-03  3.8850000000e-04 -3.9916000000e-03  1.1490000000e-04 -5.7580000000e-04  1.0152000000e-03  3.8089000000e-03  8.6900000000e-05
+
+JOB 73
+COORDS -1.2221040000e+00  3.0335920000e+00  1.7722400000e+00 -1.2016870000e+00  2.8750570000e+00  2.7159990000e+00 -2.0602240000e+00  2.6704970000e+00  1.4859730000e+00  1.2231620000e+00 -3.0429940000e+00 -1.8246910000e+00  2.0925560000e+00 -3.0009860000e+00 -2.2229640000e+00  1.2223540000e+00 -2.3396010000e+00 -1.1754850000e+00
+ENERGY -1.526543122275e+02
+FORCES -3.5107000000e-03 -1.9657000000e-03  2.7222000000e-03 -1.3400000000e-05  5.8840000000e-04 -3.8826000000e-03  3.5086000000e-03  1.4365000000e-03  1.1742000000e-03  3.5802000000e-03  3.1871000000e-03  9.9250000000e-04 -3.5268000000e-03 -2.3760000000e-04  1.6128000000e-03 -3.7900000000e-05 -3.0088000000e-03 -2.6191000000e-03
+
+JOB 74
+COORDS  1.7645340000e+00 -2.3449840000e+00  2.6167470000e+00  2.0251700000e+00 -1.8532700000e+00  3.3955400000e+00  8.7461100000e-01 -2.6417610000e+00  2.8069890000e+00 -1.7109440000e+00  2.3781380000e+00 -2.7093480000e+00 -1.6175450000e+00  2.3877410000e+00 -1.7567640000e+00 -2.1344050000e+00  1.5412640000e+00 -2.9005420000e+00
+ENERGY -1.526540594855e+02
+FORCES -2.3966000000e-03  6.7940000000e-04  4.0617000000e-03 -1.1369000000e-03 -1.9797000000e-03 -3.2184000000e-03  3.5634000000e-03  1.3020000000e-03 -8.6430000000e-04 -1.1621000000e-03 -3.4785000000e-03  3.0978000000e-03 -4.9720000000e-04  2.8900000000e-05 -3.8572000000e-03  1.6294000000e-03  3.4479000000e-03  7.8050000000e-04
+
+JOB 75
+COORDS -1.1664880000e+00 -3.5323120000e+00 -1.3536240000e+00 -1.2483870000e+00 -3.9517350000e+00 -2.2101330000e+00 -2.5932300000e-01 -3.6926330000e+00 -1.0936590000e+00  1.1258790000e+00  3.5908180000e+00  1.3202090000e+00  1.8984180000e+00  3.4524730000e+00  1.8681840000e+00  3.9218100000e-01  3.3004600000e+00  1.8620670000e+00
+ENERGY -1.526540867665e+02
+FORCES  3.3999000000e-03 -2.2577000000e-03 -2.5410000000e-03  3.2270000000e-04  1.6608000000e-03  3.5157000000e-03 -3.7113000000e-03  5.9750000000e-04 -9.8940000000e-04  1.6000000000e-05 -1.8264000000e-03  4.4113000000e-03 -3.0946000000e-03  5.6510000000e-04 -2.2435000000e-03  3.0672000000e-03  1.2609000000e-03 -2.1531000000e-03
+
+JOB 76
+COORDS -6.5003600000e-01 -4.0085680000e+00 -7.7741900000e-01 -1.1440380000e+00 -3.2558840000e+00 -4.5236400000e-01  7.3231000000e-02 -4.1065170000e+00 -1.5812700000e-01  6.0329300000e-01  4.0246640000e+00  7.6213200000e-01  5.6779200000e-01  3.8225410000e+00 -1.7281100000e-01  1.2310040000e+00  3.3967160000e+00  1.1197520000e+00
+ENERGY -1.526540313998e+02
+FORCES  8.0480000000e-04  2.5288000000e-03  3.9155000000e-03  2.1226000000e-03 -3.0121000000e-03 -1.3721000000e-03 -2.9074000000e-03  4.8550000000e-04 -2.5642000000e-03  2.5041000000e-03 -3.2050000000e-03 -2.4284000000e-03  1.1130000000e-04  7.4430000000e-04  3.8826000000e-03 -2.6355000000e-03  2.4585000000e-03 -1.4333000000e-03
+
+JOB 77
+COORDS  9.3830000000e-02 -4.1320070000e+00 -8.1272500000e-01  9.9381100000e-01 -4.4431380000e+00 -9.1000100000e-01 -4.4704500000e-01 -4.8718570000e+00 -1.0889660000e+00 -6.7314000000e-02  4.1969250000e+00  7.7849700000e-01 -3.2790200000e-01  3.4113220000e+00  1.2592810000e+00 -5.1253100000e-01  4.9136470000e+00  1.2305200000e+00
+ENERGY -1.526541398649e+02
+FORCES  1.5137000000e-03 -4.2636000000e-03 -1.6198000000e-03 -3.6903000000e-03  1.2402000000e-03  4.3610000000e-04  2.1891000000e-03  3.0124000000e-03  1.1598000000e-03 -2.9045000000e-03 -4.6270000000e-04  3.7537000000e-03  1.0693000000e-03  3.3439000000e-03 -1.8926000000e-03  1.8227000000e-03 -2.8701000000e-03 -1.8372000000e-03
+
+JOB 78
+COORDS  9.7724600000e-01 -4.1847230000e+00 -2.9277200000e-01  3.5769500000e-01 -3.8203840000e+00 -9.2494700000e-01  1.2859590000e+00 -4.9947200000e+00 -6.9877000000e-01 -1.0033360000e+00  4.2195040000e+00  2.9439000000e-01 -4.6407700000e-01  4.8779540000e+00  7.3242400000e-01 -8.4239400000e-01  3.4129990000e+00  7.8416400000e-01
+ENERGY -1.526542322509e+02
+FORCES -1.2702000000e-03 -1.8685000000e-03 -4.2940000000e-03  2.5347000000e-03 -1.4632000000e-03  2.6285000000e-03 -1.2551000000e-03  3.3025000000e-03  1.6658000000e-03  2.9047000000e-03 -6.3840000000e-04  3.8355000000e-03 -2.2108000000e-03 -2.6503000000e-03 -1.7978000000e-03 -7.0320000000e-04  3.3178000000e-03 -2.0381000000e-03
+
+JOB 79
+COORDS  1.0886430000e+00 -5.8111200000e-01 -4.1305490000e+00  1.7878300000e+00  6.9996000000e-02 -4.1890960000e+00  1.1460450000e+00 -1.0694100000e+00 -4.9518300000e+00 -1.1877200000e+00  5.4573300000e-01  4.1883530000e+00 -9.4670200000e-01  1.4612390000e+00  4.3297430000e+00 -3.8232300000e-01  1.3040500000e-01  3.8800170000e+00
+ENERGY -1.526540550243e+02
+FORCES  3.0090000000e-03  6.3930000000e-04 -3.6625000000e-03 -2.8281000000e-03 -2.6493000000e-03  2.9910000000e-04 -2.0410000000e-04  2.0036000000e-03  3.3626000000e-03  4.2523000000e-03  1.9910000000e-03 -8.6990000000e-04 -9.7680000000e-04 -3.7055000000e-03 -5.1320000000e-04 -3.2522000000e-03  1.7210000000e-03  1.3839000000e-03
+
+JOB 80
+COORDS -1.5979400000e-01  2.1663000000e+00 -3.7422390000e+00  2.2451500000e-01  1.4150840000e+00 -4.1941380000e+00 -6.1959000000e-01  2.6497540000e+00 -4.4286000000e+00  1.5227100000e-01 -2.1780370000e+00  3.7445160000e+00  9.3598800000e-01 -2.3123620000e+00  4.2774110000e+00 -4.0857100000e-01 -1.6166230000e+00  4.2797760000e+00
+ENERGY -1.526540096105e+02
+FORCES -3.1120000000e-04 -1.2249000000e-03 -4.5714000000e-03 -1.5559000000e-03  3.1309000000e-03  1.7725000000e-03  1.8732000000e-03 -1.9329000000e-03  2.7975000000e-03  9.0010000000e-04  1.8880000000e-03  4.2752000000e-03 -3.1887000000e-03  4.9580000000e-04 -2.1555000000e-03  2.2825000000e-03 -2.3570000000e-03 -2.1183000000e-03
+
+JOB 81
+COORDS  1.9805630000e+00 -3.0891140000e+00 -2.7692100000e+00  1.4214450000e+00 -2.5763580000e+00 -3.3529050000e+00  1.7648480000e+00 -3.9999940000e+00 -2.9692000000e+00 -1.9101870000e+00  3.0622750000e+00  2.8288250000e+00 -2.2548600000e+00  3.7180010000e+00  3.4350060000e+00 -2.1124530000e+00  3.4089580000e+00  1.9598420000e+00
+ENERGY -1.526539561927e+02
+FORCES -3.2028000000e-03 -1.6125000000e-03 -3.0984000000e-03  2.2941000000e-03 -2.0867000000e-03  2.3303000000e-03  8.9570000000e-04  3.7116000000e-03  7.8110000000e-04 -2.1564000000e-03  4.0727000000e-03 -1.0747000000e-03  1.3878000000e-03 -2.6776000000e-03 -2.4752000000e-03  7.8170000000e-04 -1.4074000000e-03  3.5369000000e-03
+
+JOB 82
+COORDS -1.3879890000e+00 -2.2342800000e+00  4.5859830000e+00 -1.2779900000e+00 -1.2837900000e+00  4.6124570000e+00 -1.2388580000e+00 -2.4677000000e+00  3.6697370000e+00  1.4130600000e+00  2.2488440000e+00 -4.5525900000e+00  7.0951300000e-01  2.1977160000e+00 -3.9055660000e+00  1.4676790000e+00  1.3658280000e+00 -4.9180100000e+00
+ENERGY -1.526539795590e+02
+FORCES  1.0803000000e-03  2.9226000000e-03 -3.5583000000e-03 -4.6210000000e-04 -3.8892000000e-03 -1.5500000000e-04 -6.2130000000e-04  9.6870000000e-04  3.6968000000e-03 -2.6418000000e-03 -3.7835000000e-03  1.0468000000e-03  2.8797000000e-03  1.8120000000e-04 -2.5764000000e-03 -2.3480000000e-04  3.6002000000e-03  1.5462000000e-03
+
+JOB 83
+COORDS  1.6176160000e+00 -1.0314100000e+00 -5.0887170000e+00  1.4877580000e+00 -1.6011030000e+00 -5.8468840000e+00  9.0216700000e-01 -1.2565540000e+00 -4.4940120000e+00 -1.5666680000e+00  1.0361910000e+00  5.1589180000e+00 -8.5798100000e-01  1.4698240000e+00  4.6835680000e+00 -2.3517360000e+00  1.2266360000e+00  4.6454690000e+00
+ENERGY -1.526540897879e+02
+FORCES -3.4175000000e-03 -3.2951000000e-03 -7.0450000000e-04  5.1750000000e-04  2.3378000000e-03  3.1010000000e-03  2.9038000000e-03  9.6220000000e-04 -2.3988000000e-03 -2.7900000000e-04  2.5874000000e-03 -4.0092000000e-03 -2.9152000000e-03 -1.7887000000e-03  1.9324000000e-03  3.1903000000e-03 -8.0370000000e-04  2.0792000000e-03
+
+JOB 84
+COORDS -1.0329500000e-01 -2.7042700000e-01  5.4283480000e+00  7.6183900000e-01 -8.9063000000e-02  5.7956100000e+00 -4.9549300000e-01 -8.9720900000e-01  6.0362610000e+00  1.0681900000e-01  2.5586100000e-01 -5.5228510000e+00 -4.8161700000e-01  5.9579000000e-02 -4.7938460000e+00  1.2585300000e-01  1.2119350000e+00 -5.5651760000e+00
+ENERGY -1.526541630240e+02
+FORCES  1.9501000000e-03 -1.8386000000e-03  4.0048000000e-03 -3.5367000000e-03 -7.2810000000e-04 -1.5049000000e-03  1.5903000000e-03  2.5633000000e-03 -2.4871000000e-03 -2.3229000000e-03  3.0948000000e-03  2.8805000000e-03  2.3899000000e-03  7.9580000000e-04 -3.0251000000e-03 -7.0700000000e-05 -3.8873000000e-03  1.3180000000e-04
+
+JOB 85
+COORDS -3.6575600000e+00  4.8457640000e+00 -3.3834490000e+00 -3.8066840000e+00  4.1379490000e+00 -4.0103400000e+00 -2.7067460000e+00  4.9548120000e+00 -3.3663170000e+00  3.6150840000e+00 -4.7981660000e+00  3.4833420000e+00  3.6379760000e+00 -4.1892870000e+00  2.7451190000e+00  3.5948520000e+00 -5.6653640000e+00  3.0786330000e+00
+ENERGY -1.526540380475e+02
+FORCES  3.2581000000e-03 -2.4231000000e-03 -2.4832000000e-03  6.1840000000e-04  2.8792000000e-03  2.5591000000e-03 -3.8747000000e-03 -4.5920000000e-04 -7.3700000000e-05  6.9000000000e-06 -1.0626000000e-03 -4.6434000000e-03 -9.2500000000e-05 -2.4795000000e-03  2.9995000000e-03  8.3800000000e-05  3.5453000000e-03  1.6418000000e-03
+
+JOB 86
+COORDS -8.1405490000e+00  3.4136690000e+00 -7.7550900000e-01 -7.9787260000e+00  4.3563690000e+00 -7.3859100000e-01 -7.6277520000e+00  3.0536250000e+00 -5.1880000000e-02  8.1139160000e+00 -3.4230850000e+00  6.6878400000e-01  7.2691190000e+00 -3.7862890000e+00  9.3455300000e-01  8.6619510000e+00 -3.4933750000e+00  1.4504160000e+00
+ENERGY -1.526540695668e+02
+FORCES  2.7561000000e-03  2.3828000000e-03  3.0923000000e-03 -6.6240000000e-04 -3.8476000000e-03 -1.4530000000e-04 -2.0935000000e-03  1.4644000000e-03 -2.9466000000e-03 -1.2042000000e-03 -1.7815000000e-03  4.2650000000e-03  3.4434000000e-03  1.4896000000e-03 -1.0795000000e-03 -2.2395000000e-03  2.9230000000e-04 -3.1859000000e-03
+
+JOB 87
+COORDS  8.4888290000e+00  5.3471120000e+00  1.3849110000e+00  8.3628850000e+00  4.4311030000e+00  1.1373270000e+00  9.2095850000e+00  5.6483120000e+00  8.3171800000e-01 -8.5362690000e+00 -5.2547620000e+00 -1.3020440000e+00 -7.7069010000e+00 -5.4978360000e+00 -1.7135010000e+00 -9.1343360000e+00 -5.9669870000e+00 -1.5285040000e+00
+ENERGY -1.526540639235e+02
+FORCES  2.4201000000e-03 -2.5060000000e-03 -3.2646000000e-03  5.1770000000e-04  3.7355000000e-03  1.0083000000e-03 -2.9384000000e-03 -1.2301000000e-03  2.2561000000e-03  9.4060000000e-04 -3.8939000000e-03 -2.5987000000e-03 -3.3816000000e-03  9.9000000000e-04  1.6767000000e-03  2.4416000000e-03  2.9044000000e-03  9.2230000000e-04
+
+JOB 88
+COORDS  1.0590259000e+01  3.5753880000e+00 -3.5520080000e+00  9.7799300000e+00  3.5231260000e+00 -3.0451870000e+00  1.0859720000e+01  4.4910510000e+00 -3.4800070000e+00 -1.0532002000e+01 -3.5755540000e+00  3.4847890000e+00 -1.0247615000e+01 -4.4581220000e+00  3.7223390000e+00 -1.1379516000e+01 -3.4719060000e+00  3.9174650000e+00
+ENERGY -1.526540806925e+02
+FORCES -2.2142000000e-03  3.5208000000e-03  2.3603000000e-03  3.3098000000e-03  2.1400000000e-04 -2.0665000000e-03 -1.0952000000e-03 -3.7345000000e-03 -2.9370000000e-04 -2.2995000000e-03 -3.1815000000e-03  2.7315000000e-03 -1.1590000000e-03  3.6020000000e-03 -9.6770000000e-04  3.4581000000e-03 -4.2080000000e-04 -1.7639000000e-03
+
+JOB 89
+COORDS  1.1699523000e+01  1.3105960000e+00 -4.5461600000e-01  1.2191955000e+01  1.5299780000e+00 -1.2455740000e+00  1.1153816000e+01  2.0797110000e+00 -2.9060900000e-01 -1.1756909000e+01 -1.3694110000e+00  4.9731200000e-01 -1.1140375000e+01 -1.8487560000e+00  1.0507980000e+00 -1.1203895000e+01 -9.0033800000e-01 -1.2749000000e-01
+ENERGY -1.526540761028e+02
+FORCES -2.0680000000e-04  4.0342000000e-03 -2.5564000000e-03 -2.0133000000e-03 -8.9530000000e-04  3.2260000000e-03  2.2202000000e-03 -3.1393000000e-03 -6.6940000000e-04  4.7715000000e-03 -4.6500000000e-05 -2.8920000000e-04 -2.5154000000e-03  1.9576000000e-03 -2.2586000000e-03 -2.2563000000e-03 -1.9108000000e-03  2.5477000000e-03
+
+JOB 0
+COORDS  1.2006240000e+00 -3.4303500000e-01 -3.9081100000e-01  3.6947000000e-01 -1.1771700000e-01  2.7097000000e-02  1.1645400000e+00 -1.2933130000e+00 -4.9990800000e-01 -1.0980940000e+00  3.4935700000e-01  3.3799000000e-01 -1.0784830000e+00  1.2803060000e+00  5.5975700000e-01 -1.9371580000e+00  3.9153000000e-02  6.7854300000e-01
+ENERGY -1.526542534045e+02
+FORCES -2.3355500000e-02  3.2273000000e-03  6.5912000000e-03  4.7142000000e-03  3.7382000000e-03 -5.2880000000e-04 -1.2117000000e-03  2.1196000000e-03  7.6430000000e-04  1.6516500000e-02 -6.4093000000e-03 -4.3394000000e-03 -2.7050000000e-04 -6.2367000000e-03 -5.3120000000e-04  3.6069000000e-03  3.5609000000e-03 -1.9561000000e-03
+
+JOB 1
+COORDS -1.0989680000e+00  3.7067100000e-01  6.4480300000e-01 -1.5754440000e+00 -4.5262600000e-01  5.3810500000e-01 -2.5002000000e-01  2.1185000000e-01  2.3213600000e-01  1.0585120000e+00 -2.4944400000e-01 -6.2939300000e-01  9.2648400000e-01 -1.0663540000e+00 -1.1104950000e+00  1.5362190000e+00 -5.0935000000e-01  1.5831100000e-01
+ENERGY -1.526545067991e+02
+FORCES  1.8213000000e-02 -6.7209000000e-03 -1.4310000000e-02  2.3754000000e-03  1.3356000000e-03 -3.6790000000e-04 -2.8651000000e-03  3.2160000000e-04  9.3383000000e-03 -1.0672700000e-02 -1.1343000000e-03  4.7482000000e-03  4.3030000000e-04  3.9995000000e-03  4.0857000000e-03 -7.4809000000e-03  2.1985000000e-03 -3.4944000000e-03
+
+JOB 2
+COORDS  1.0057930000e+00  3.4337200000e-01 -7.9303200000e-01  2.1182300000e-01 -2.2586000000e-02 -4.0326400000e-01  8.0516000000e-01  4.1224100000e-01 -1.7264320000e+00 -9.5316100000e-01 -2.6378300000e-01  7.9579300000e-01 -4.6805000000e-01 -4.4154500000e-01  1.6015840000e+00 -1.3104260000e+00 -1.1136630000e+00  5.3830900000e-01
+ENERGY -1.526570106560e+02
+FORCES -1.5897100000e-02 -2.8707000000e-03  1.1285800000e-02  7.4020000000e-03 -2.1767000000e-03 -7.4829000000e-03 -2.1236000000e-03 -1.5450000000e-03  3.7478000000e-03  8.9434000000e-03  1.2281000000e-03 -1.0750000000e-03 -3.1958000000e-03 -9.4400000000e-05 -5.2033000000e-03  4.8711000000e-03  5.4588000000e-03 -1.2724000000e-03
+
+JOB 3
+COORDS  7.1902100000e-01  9.5718800000e-01 -6.0758700000e-01  7.2975000000e-01  1.0801950000e+00 -1.5567890000e+00  3.4044000000e-02  3.0558100000e-01 -4.5776100000e-01 -6.9087300000e-01 -9.0362200000e-01  5.8657000000e-01 -1.0512510000e+00 -5.3208200000e-01  1.3917520000e+00 -1.2980000000e-01 -1.6202260000e+00  8.8306200000e-01
+ENERGY -1.526594960445e+02
+FORCES -8.8811000000e-03 -1.1154700000e-02  6.2757000000e-03 -1.6437000000e-03 -2.7963000000e-03  3.3267000000e-03  3.9672000000e-03  7.5713000000e-03 -5.7422000000e-03  8.1811000000e-03  5.9904000000e-03  7.6200000000e-05  2.0877000000e-03 -2.6428000000e-03 -3.6524000000e-03 -3.7113000000e-03  3.0321000000e-03 -2.8400000000e-04
+
+JOB 4
+COORDS  5.7367300000e-01 -1.2830000000e-03  1.1254590000e+00  1.4386730000e+00 -2.6156300000e-01  1.4420990000e+00 -3.9426000000e-02 -4.2874200000e-01  1.7234720000e+00 -6.3322500000e-01  3.8612000000e-02 -1.2310800000e+00  3.0041400000e-01 -1.7203600000e-01 -1.2443810000e+00 -7.9615300000e-01  3.5079800000e-01 -3.4100900000e-01
+ENERGY -1.526540099679e+02
+FORCES -2.8823000000e-03 -2.6484000000e-03 -4.4341000000e-03 -4.2533000000e-03  2.0030000000e-04 -2.4980000000e-03  2.0239000000e-03  3.3850000000e-03 -4.0615000000e-03  1.1456600000e-02 -3.4400000000e-05  1.4904900000e-02 -5.3520000000e-04 -5.7400000000e-04 -4.6012000000e-03 -5.8098000000e-03 -3.2840000000e-04  6.8980000000e-04
+
+JOB 5
+COORDS -8.2560000000e-03 -8.4002300000e-01 -9.3883900000e-01  1.3556500000e-01 -6.9304500000e-01 -1.8736890000e+00  2.0559000000e-02 -1.7914900000e+00 -8.3827300000e-01 -4.8911000000e-02  9.4317200000e-01  1.0066070000e+00  8.4419900000e-01  7.7121100000e-01  1.3049640000e+00 -2.1826300000e-01  2.6495300000e-01  3.5271800000e-01
+ENERGY -1.526586772023e+02
+FORCES  9.5600000000e-05  6.4692000000e-03  4.6431000000e-03 -2.7350000000e-04 -3.1105000000e-03  4.3274000000e-03  6.9920000000e-04  5.0014000000e-03 -1.4740000000e-03  3.0261000000e-03 -1.2123800000e-02 -1.2709200000e-02 -2.0290000000e-03  3.2320000000e-04 -2.8460000000e-04 -1.5184000000e-03  3.4404000000e-03  5.4973000000e-03
+
+JOB 6
+COORDS -6.3366600000e-01 -3.1628000000e-02 -1.1961470000e+00 -3.9560200000e-01 -2.9353300000e-01 -3.0678600000e-01 -4.7405500000e-01 -8.1200000000e-01 -1.7269740000e+00  5.9986700000e-01  2.3308000000e-02  1.1609000000e+00  1.0942220000e+00  6.4763500000e-01  6.2980600000e-01  3.2034000000e-01  5.2699800000e-01  1.9253560000e+00
+ENERGY -1.526603571742e+02
+FORCES  3.9335000000e-03 -3.0319000000e-03  1.2770200000e-02 -8.9650000000e-04  1.7064000000e-03 -1.0021600000e-02  7.0500000000e-04  2.1390000000e-03  3.2899000000e-03 -1.8841000000e-03  4.8235000000e-03 -4.9617000000e-03 -3.7672000000e-03 -4.1774000000e-03  3.2028000000e-03  1.9094000000e-03 -1.4596000000e-03 -4.2797000000e-03
+
+JOB 7
+COORDS -1.0889820000e+00  8.4988000000e-01  5.0956000000e-02 -5.3931900000e-01  1.6327600000e+00  8.5636000000e-02 -4.7095700000e-01  1.2747200000e-01 -6.0415000000e-02  9.6399300000e-01 -8.8314100000e-01 -2.3465000000e-02  1.2236350000e+00 -7.3707200000e-01 -9.3312600000e-01  1.6795300000e+00 -5.1214600000e-01  4.9286900000e-01
+ENERGY -1.526574560963e+02
+FORCES  1.4924000000e-02 -1.0339100000e-02  1.1128000000e-03 -6.3520000000e-04 -2.3222000000e-03 -2.2490000000e-04 -6.5555000000e-03  5.9448000000e-03 -4.1676000000e-03 -6.2890000000e-04  6.1097000000e-03  1.3357000000e-03 -3.5828000000e-03  1.7763000000e-03  5.9276000000e-03 -3.5215000000e-03 -1.1695000000e-03 -3.9836000000e-03
+
+JOB 8
+COORDS  9.2100000000e-04  1.2732590000e+00  5.3984400000e-01 -3.4587900000e-01  4.3666900000e-01  2.2988000000e-01  7.0408000000e-01  1.0328230000e+00  1.1431610000e+00 -5.3489000000e-02 -1.1821580000e+00 -5.1223100000e-01 -1.5952800000e-01 -2.0932450000e+00 -7.8592500000e-01  6.5102600000e-01 -8.4566600000e-01 -1.0660040000e+00
+ENERGY -1.526590060398e+02
+FORCES -1.1511000000e-03 -1.3732100000e-02 -4.8690000000e-04  3.1730000000e-03  6.2230000000e-03 -1.3590000000e-03 -1.0028000000e-03  1.2301000000e-03 -2.3852000000e-03  5.0210000000e-04  4.1569000000e-03  3.4890000000e-04  2.7107000000e-03  4.5213000000e-03  2.6470000000e-04 -4.2320000000e-03 -2.3991000000e-03  3.6176000000e-03
+
+JOB 9
+COORDS -1.0496350000e+00  6.9469700000e-01  3.2700000000e-01 -6.9640700000e-01  1.5160760000e+00  6.6875700000e-01 -1.5080140000e+00  3.0285400000e-01  1.0703570000e+00  1.0295420000e+00 -7.6658800000e-01 -4.3131800000e-01  5.0599900000e-01 -1.8419200000e-01  1.1909100000e-01  1.9365420000e+00 -5.4334100000e-01 -2.2216500000e-01
+ENERGY -1.526561593744e+02
+FORCES  5.6690000000e-04 -1.3846000000e-03 -1.8280000000e-04  1.2430000000e-03 -7.0816000000e-03 -1.5821000000e-03  4.4604000000e-03  2.0326000000e-03 -3.9549000000e-03 -1.1673300000e-02  8.1171000000e-03  3.9612000000e-03  1.0186500000e-02 -3.4133000000e-03  1.1470000000e-03 -4.7835000000e-03  1.7299000000e-03  6.1160000000e-04
+
+JOB 10
+COORDS -1.2209240000e+00  4.3669100000e-01 -4.1157800000e-01 -1.5104590000e+00  1.3213490000e+00 -1.8845900000e-01 -3.1924200000e-01  3.9190100000e-01 -9.3466000000e-02  1.1434260000e+00 -4.2441100000e-01  3.7274600000e-01  2.0069100000e+00 -5.3346400000e-01 -2.5669000000e-02  1.0437500000e+00 -1.1873680000e+00  9.4212600000e-01
+ENERGY -1.526597623114e+02
+FORCES  1.3237100000e-02 -3.4367000000e-03  3.8931000000e-03  3.0984000000e-03 -2.6971000000e-03  9.9500000000e-05 -8.2765000000e-03  3.8822000000e-03 -8.6370000000e-04 -6.9049000000e-03 -3.9240000000e-04 -3.1792000000e-03 -3.6736000000e-03 -8.3980000000e-04  2.9559000000e-03  2.5195000000e-03  3.4838000000e-03 -2.9056000000e-03
+
+JOB 11
+COORDS  6.7418200000e-01 -4.2458900000e-01 -9.9642100000e-01  9.5727900000e-01  1.2629400000e-01 -1.7262260000e+00  3.8575800000e-01 -1.2390640000e+00 -1.4083350000e+00 -7.0555300000e-01  3.9507500000e-01  1.1028380000e+00 -5.8187100000e-01  1.3226020000e+00  1.3044020000e+00 -2.6618900000e-01  2.7167100000e-01  2.6143400000e-01
+ENERGY -1.526589206190e+02
+FORCES -5.0037000000e-03 -1.1300000000e-05  3.9165000000e-03 -2.1666000000e-03 -2.7825000000e-03  4.0453000000e-03  2.2818000000e-03  4.9349000000e-03  7.8380000000e-04  9.4477000000e-03 -4.0681000000e-03 -1.2876100000e-02  8.4370000000e-04 -2.5828000000e-03 -2.5908000000e-03 -5.4030000000e-03  4.5097000000e-03  6.7213000000e-03
+
+JOB 12
+COORDS  7.4039200000e-01 -1.0299030000e+00  3.7549400000e-01  3.8390100000e-01 -1.8970380000e+00  5.6842600000e-01  9.8029200000e-01 -1.0696010000e+00 -5.5030500000e-01 -7.9875600000e-01  1.0931650000e+00 -3.5094600000e-01 -9.9750000000e-03  1.5643690000e+00 -6.1931800000e-01 -4.8281800000e-01  4.2015800000e-01  2.5194400000e-01
+ENERGY -1.526586964198e+02
+FORCES -3.0665000000e-03  6.3590000000e-04 -6.3997000000e-03  1.0072000000e-03  4.7339000000e-03 -1.5872000000e-03 -5.4110000000e-04  4.1300000000e-04  5.0830000000e-03  1.0283300000e-02 -9.4053000000e-03  6.1172000000e-03 -2.0749000000e-03 -2.0934000000e-03 -6.6980000000e-04 -5.6080000000e-03  5.7161000000e-03 -2.5435000000e-03
+
+JOB 13
+COORDS  1.1842620000e+00  2.5797500000e-01  5.8809000000e-01  1.3613460000e+00  2.0614000000e-02  1.4983280000e+00  4.7465200000e-01  8.9822000000e-01  6.4072900000e-01 -1.1894220000e+00 -2.5903000000e-01 -6.9727500000e-01 -2.4826600000e-01 -4.3064600000e-01 -6.6557700000e-01 -1.5094510000e+00 -5.1581900000e-01  1.6752100000e-01
+ENERGY -1.526576148373e+02
+FORCES -5.4949000000e-03  2.0026000000e-03  1.4929000000e-03 -2.6506000000e-03  1.3928000000e-03 -3.9567000000e-03  3.3498000000e-03 -5.7586000000e-03 -6.4000000000e-06  1.0186100000e-02 -4.0888000000e-03  6.6056000000e-03 -6.0520000000e-03  3.5702000000e-03 -2.2071000000e-03  6.6160000000e-04  2.8818000000e-03 -1.9284000000e-03
+
+JOB 14
+COORDS -9.8795400000e-01  8.6573800000e-01 -1.1547100000e-01 -1.3624340000e+00  1.1408660000e+00 -9.5231100000e-01 -4.2059800000e-01  1.5917530000e+00  1.4383800000e-01  1.0314990000e+00 -9.1813800000e-01  1.0458400000e-01  8.6930500000e-01 -1.6017820000e+00  7.5462700000e-01  2.8042600000e-01 -3.2987300000e-01  1.8246800000e-01
+ENERGY -1.526596639423e+02
+FORCES  3.8891000000e-03 -1.5648000000e-03 -4.8133000000e-03  1.5687000000e-03  6.3960000000e-04  4.7272000000e-03 -1.6875000000e-03 -6.4984000000e-03 -1.5215000000e-03 -1.2480100000e-02  6.6040000000e-03 -1.0034000000e-03 -8.6700000000e-04  2.9007000000e-03 -1.7880000000e-03  9.5769000000e-03 -2.0811000000e-03  4.3990000000e-03
+
+JOB 15
+COORDS  4.5717200000e-01  1.0217130000e+00  6.4039200000e-01  5.0337100000e-01  1.9577980000e+00  8.3492200000e-01  1.3585980000e+00  7.1289600000e-01  7.3147000000e-01 -5.0468800000e-01 -1.1157880000e+00 -6.1706700000e-01 -4.5761100000e-01 -2.0444300000e-01 -3.2816300000e-01 -6.7830600000e-01 -1.0609800000e+00 -1.5567930000e+00
+ENERGY -1.526600493678e+02
+FORCES  1.4454000000e-03 -4.9256000000e-03 -1.9475000000e-03  1.1730000000e-03 -4.6118000000e-03 -1.0271000000e-03 -4.0354000000e-03  3.9342000000e-03  1.0460000000e-04  2.6537000000e-03  1.1530100000e-02  4.1491000000e-03 -2.2119000000e-03 -7.3304000000e-03 -4.4629000000e-03  9.7510000000e-04  1.4034000000e-03  3.1837000000e-03
+
+JOB 16
+COORDS -8.7032200000e-01 -9.0982700000e-01 -4.0554700000e-01 -1.0947010000e+00 -1.8323050000e+00 -5.2769700000e-01 -1.0110580000e+00 -7.5015000000e-01  5.2768900000e-01  8.8751800000e-01  1.0068430000e+00  3.9142300000e-01  1.8229700000e-01  5.0735200000e-01 -2.0163000000e-02  1.6850660000e+00  5.3001400000e-01  1.6167800000e-01
+ENERGY -1.526563121453e+02
+FORCES  3.4585000000e-03  2.1200000000e-05  3.0244000000e-03  6.8260000000e-04  4.0257000000e-03  2.2597000000e-03  3.8262000000e-03  2.7296000000e-03 -7.3654000000e-03 -2.8797000000e-03 -1.0254900000e-02 -8.3099000000e-03 -3.6149000000e-03  1.5677000000e-03  8.9906000000e-03 -1.4729000000e-03  1.9107000000e-03  1.4006000000e-03
+
+JOB 17
+COORDS  6.0608900000e-01 -1.2809620000e+00 -8.0997000000e-02  1.1187370000e+00 -7.4306400000e-01 -6.8439500000e-01  1.7019200000e-01 -6.5001200000e-01  4.9182700000e-01 -5.5232600000e-01  1.2365600000e+00  5.5441000000e-02 -7.5440700000e-01  1.1184810000e+00  9.8358600000e-01 -1.3319840000e+00  9.2156900000e-01 -4.0188400000e-01
+ENERGY -1.526539676250e+02
+FORCES -2.2523000000e-03  1.5967400000e-02 -1.9334000000e-03  1.2520000000e-04 -4.3424000000e-03  2.0350000000e-04 -2.5805000000e-03 -3.6048000000e-03  5.0665000000e-03 -3.2142000000e-03 -4.7891000000e-03 -9.3770000000e-04  3.6334000000e-03 -4.5819000000e-03 -5.4252000000e-03  4.2885000000e-03  1.3508000000e-03  3.0262000000e-03
+
+JOB 18
+COORDS -7.0715700000e-01 -9.6170800000e-01 -5.5457200000e-01 -1.3988110000e+00 -1.5850020000e+00 -3.3242100000e-01 -1.0078610000e+00 -5.4781700000e-01 -1.3635860000e+00  8.1994400000e-01  9.8120200000e-01  6.0134200000e-01  3.4622900000e-01  2.5208700000e-01  2.0107000000e-01  1.6265900000e-01  1.6703280000e+00  6.9784800000e-01
+ENERGY -1.526595508088e+02
+FORCES -9.1300000000e-05  2.0062000000e-03  2.5085000000e-03  2.2978000000e-03  3.3358000000e-03 -3.1020000000e-03  1.1463000000e-03 -1.3851000000e-03  5.4307000000e-03 -9.8584000000e-03 -9.4204000000e-03 -3.7562000000e-03  5.0600000000e-03  7.4005000000e-03 -7.1100000000e-05  1.4457000000e-03 -1.9372000000e-03 -1.0098000000e-03
+
+JOB 19
+COORDS  5.1605100000e-01  3.5669100000e-01  1.1737400000e+00  1.4555990000e+00  3.5060900000e-01  9.9086100000e-01  4.2460800000e-01 -1.5564800000e-01  1.9770950000e+00 -6.2325700000e-01 -3.6004900000e-01 -1.2253890000e+00  1.7681600000e-01 -3.3617300000e-01 -1.7503130000e+00 -3.9725200000e-01  1.0866400000e-01 -4.2198300000e-01
+ENERGY -1.526587003039e+02
+FORCES  1.2240000000e-04 -5.6952000000e-03 -1.9778000000e-03 -4.7746000000e-03 -3.3210000000e-04  2.4060000000e-04  2.0074000000e-03  2.8260000000e-03 -3.3465000000e-03  7.2568000000e-03  3.8474000000e-03  1.1499100000e-02 -1.5426000000e-03 -6.8000000000e-06  2.0803000000e-03 -3.0693000000e-03 -6.3930000000e-04 -8.4957000000e-03
+
+JOB 20
+COORDS -1.0356200000e-01 -8.1875200000e-01  1.1359380000e+00 -2.0923800000e-01 -3.0922400000e-01  3.3254200000e-01 -9.8261500000e-01 -8.5780100000e-01  1.5127310000e+00  1.2429900000e-01  7.8761600000e-01 -1.0612190000e+00 -4.6620000000e-03  3.8547300000e-01 -1.9202190000e+00  9.6883600000e-01  1.2330150000e+00 -1.1291010000e+00
+ENERGY -1.526610767880e+02
+FORCES -4.9760000000e-04  8.4814000000e-03 -9.9201000000e-03 -2.5139000000e-03 -7.2462000000e-03  7.5731000000e-03  2.2364000000e-03  8.8040000000e-04 -2.6533000000e-03  4.2675000000e-03 -1.8960000000e-03  1.9633000000e-03  9.3350000000e-04  1.8411000000e-03  4.7045000000e-03 -4.4258000000e-03 -2.0607000000e-03 -1.6675000000e-03
+
+JOB 21
+COORDS  6.6572400000e-01 -1.2255730000e+00  1.4034100000e-01  3.7395800000e-01 -3.2579800000e-01  2.8700400000e-01  1.3015260000e+00 -1.3882840000e+00  8.3712800000e-01 -6.3908500000e-01  1.1588190000e+00 -1.3794000000e-01 -1.5040750000e+00  8.3787300000e-01 -3.9292800000e-01 -4.8821300000e-01  1.9167170000e+00 -7.0279500000e-01
+ENERGY -1.526610167803e+02
+FORCES -3.5600000000e-03  1.0596000000e-02  1.0740000000e-04  3.3143000000e-03 -9.4361000000e-03  2.6734000000e-03 -2.2257000000e-03  2.4069000000e-03 -2.0332000000e-03  3.7370000000e-04 -3.0930000000e-03 -4.0248000000e-03  4.3335000000e-03  2.6717000000e-03  9.7720000000e-04 -2.2356000000e-03 -3.1455000000e-03  2.3000000000e-03
+
+JOB 22
+COORDS  8.0561800000e-01  7.5836900000e-01  7.2747100000e-01  1.6564180000e+00  6.0767700000e-01  3.1556800000e-01  1.0165800000e+00  1.1127360000e+00  1.5912710000e+00 -8.6022500000e-01 -8.3237600000e-01 -7.7332000000e-01 -1.3212770000e+00 -1.1571100000e-01 -1.2092710000e+00 -4.5822700000e-01 -4.2694300000e-01 -5.0400000000e-03
+ENERGY -1.526607184442e+02
+FORCES  1.9628000000e-03 -1.9307000000e-03 -1.9994000000e-03 -3.7818000000e-03  1.5672000000e-03  3.5080000000e-03 -2.0150000000e-04 -1.6621000000e-03 -4.6765000000e-03  5.1480000000e-03  9.9587000000e-03  6.8716000000e-03  1.0945000000e-03 -2.2469000000e-03  6.9570000000e-04 -4.2220000000e-03 -5.6862000000e-03 -4.3995000000e-03
+
+JOB 23
+COORDS -1.2330720000e+00  5.1957900000e-01 -5.4981200000e-01 -3.1089800000e-01  4.7393800000e-01 -2.9733900000e-01 -1.7125350000e+00  3.9982000000e-01  2.6994700000e-01  1.1725050000e+00 -4.9932100000e-01  4.3247600000e-01  8.7669400000e-01 -7.8006200000e-01  1.2984510000e+00  2.1202430000e+00 -4.0024100000e-01  5.2306900000e-01
+ENERGY -1.526586234675e+02
+FORCES  9.7626000000e-03 -3.9213000000e-03  5.2977000000e-03 -7.9565000000e-03  3.5637000000e-03 -1.5213000000e-03  1.9142000000e-03 -2.7340000000e-04 -1.8523000000e-03  5.0400000000e-05 -9.2400000000e-04  2.0106000000e-03  1.1109000000e-03  2.6367000000e-03 -4.2608000000e-03 -4.8817000000e-03 -1.0817000000e-03  3.2620000000e-04
+
+JOB 24
+COORDS -6.1279000000e-01 -1.1789920000e+00  3.1295800000e-01 -3.9173900000e-01 -1.1559890000e+00  1.2439990000e+00 -1.5585530000e+00 -1.3253470000e+00  2.9439000000e-01  6.6595500000e-01  1.2515480000e+00 -4.0023000000e-01 -1.0314400000e-01  6.8198100000e-01 -3.8255400000e-01  1.3225920000e+00  7.8421900000e-01  1.1616400000e-01
+ENERGY -1.526580858298e+02
+FORCES -8.0490000000e-04 -2.7820000000e-04  3.9639000000e-03 -4.8070000000e-04  6.2740000000e-04 -5.1395000000e-03  4.9597000000e-03  2.2778000000e-03 -7.0000000000e-05 -3.6395000000e-03 -1.2991900000e-02  2.9193000000e-03  6.5270000000e-04  7.8192000000e-03 -1.6230000000e-03 -6.8740000000e-04  2.5457000000e-03 -5.0700000000e-05
+
+JOB 25
+COORDS  3.1240500000e-01  6.9385000000e-01  1.1857190000e+00  1.6485800000e-01  1.5649470000e+00  1.5540290000e+00  4.1179500000e-01  8.4443600000e-01  2.4567800000e-01 -3.1268000000e-01 -7.0303500000e-01 -1.2024250000e+00 -4.2703900000e-01 -1.6476380000e+00 -1.3067330000e+00 -1.4747400000e-01 -5.8311700000e-01 -2.6724700000e-01
+ENERGY -1.526553663553e+02
+FORCES -1.4375000000e-03  5.2330000000e-03 -2.6842000000e-03  1.5606000000e-03 -3.1702000000e-03 -2.0723000000e-03 -4.5412000000e-03 -1.0637900000e-02  4.1888000000e-03 -8.2060000000e-04 -3.6213000000e-03  5.9623000000e-03  8.2000000000e-06  3.3674000000e-03  1.0580000000e-03  5.2304000000e-03  8.8291000000e-03 -6.4526000000e-03
+
+JOB 26
+COORDS -9.7555400000e-01  6.3939800000e-01  7.6230800000e-01 -1.7618840000e+00  9.4903000000e-02  8.0030500000e-01 -1.1657290000e+00  1.2886730000e+00  8.5175000000e-02  1.0505550000e+00 -7.0517200000e-01 -7.0428200000e-01  1.6000100000e-01 -3.6499200000e-01 -6.1812400000e-01  1.5264280000e+00 -1.6930000000e-02 -1.1691480000e+00
+ENERGY -1.526545988841e+02
+FORCES -2.5714000000e-03  1.1094000000e-03  1.0271000000e-03  5.3765000000e-03  2.1665000000e-03 -1.9654000000e-03  3.3838000000e-03 -6.0374000000e-03  1.1887000000e-03 -6.3867000000e-03  7.4585000000e-03  5.7702000000e-03  2.6434000000e-03 -2.9302000000e-03 -7.6173000000e-03 -2.4456000000e-03 -1.7668000000e-03  1.5966000000e-03
+
+JOB 27
+COORDS -2.0790000000e-02 -7.9925800000e-01  1.2272370000e+00 -1.7981100000e-01 -3.5049600000e-01  3.9684100000e-01 -2.7370200000e-01 -1.6300100000e-01  1.8961500000e+00  6.1230000000e-02  7.1114900000e-01 -1.1631310000e+00 -6.1971700000e-01  1.3752500000e+00 -1.2704260000e+00  3.9489100000e-01  5.6437200000e-01 -2.0482060000e+00
+ENERGY -1.526600747783e+02
+FORCES  6.5330000000e-04  7.4383000000e-03 -8.0721000000e-03 -2.6027000000e-03 -3.9998000000e-03  8.4551000000e-03  2.4240000000e-04 -1.3905000000e-03 -2.5682000000e-03  7.0410000000e-04 -6.2520000000e-04 -2.4888000000e-03  3.3299000000e-03 -3.7195000000e-03  1.0832000000e-03 -2.3271000000e-03  2.2967000000e-03  3.5909000000e-03
+
+JOB 28
+COORDS  5.5889600000e-01 -1.2565270000e+00  4.9346700000e-01 -4.5545000000e-02 -1.5729780000e+00  1.1648400000e+00  2.5484500000e-01 -3.7086000000e-01  2.9502800000e-01 -5.0041800000e-01  1.2036710000e+00 -4.5151400000e-01  5.2128000000e-02  1.8109890000e+00 -9.4354000000e-01 -1.1649560000e+00  9.2102500000e-01 -1.0797910000e+00
+ENERGY -1.526618195887e+02
+FORCES -5.0336000000e-03  1.0088400000e-02 -1.0814000000e-03  1.0850000000e-03  1.3929000000e-03 -2.5785000000e-03  3.3301000000e-03 -9.8188000000e-03  3.2076000000e-03  4.4230000000e-04 -2.6740000000e-04 -4.5369000000e-03 -3.3939000000e-03 -3.1015000000e-03  1.7426000000e-03  3.5700000000e-03  1.7066000000e-03  3.2466000000e-03
+
+JOB 29
+COORDS -8.6203300000e-01  4.6202200000e-01 -1.1031210000e+00 -3.8405000000e-01  2.2759200000e-01 -3.0762900000e-01 -1.6659560000e+00  8.7455100000e-01 -7.8727300000e-01  8.1846300000e-01 -4.6357700000e-01  1.0249850000e+00  1.3198120000e+00 -9.9145000000e-02  1.7544160000e+00  1.4577310000e+00 -9.6963200000e-01  5.2351100000e-01
+ENERGY -1.526617336923e+02
+FORCES  3.1684000000e-03 -1.6555000000e-03  9.3690000000e-03 -5.2016000000e-03  1.7330000000e-03 -8.7390000000e-03  2.7215000000e-03 -1.0479000000e-03 -2.9160000000e-04  3.8254000000e-03  4.5890000000e-04 -1.3400000000e-05 -1.4488000000e-03 -2.7064000000e-03 -3.3092000000e-03 -3.0650000000e-03  3.2179000000e-03  2.9842000000e-03
+
+JOB 30
+COORDS -6.8250600000e-01  1.3168720000e+00 -1.4632000000e-02 -1.0790200000e-01  5.5140000000e-01 -2.5298000000e-02 -8.4785400000e-01  1.5057210000e+00 -9.3833500000e-01  6.5296000000e-01 -1.2144650000e+00  5.8097000000e-02  3.9481900000e-01 -1.6100880000e+00  8.9061000000e-01  9.7024800000e-01 -1.9483400000e+00 -4.6819900000e-01
+ENERGY -1.526610104099e+02
+FORCES  4.8266000000e-03 -8.6786000000e-03 -3.7076000000e-03 -4.2761000000e-03  7.8800000000e-03  2.2515000000e-03  5.5180000000e-04 -5.3920000000e-04  2.4809000000e-03 -1.1805000000e-03 -2.3314000000e-03  1.0970000000e-04  1.7358000000e-03  1.5104000000e-03 -4.5504000000e-03 -1.6576000000e-03  2.1588000000e-03  3.4159000000e-03
+
+JOB 31
+COORDS -1.2071190000e+00 -9.2369400000e-01  2.8976000000e-02 -1.0830320000e+00 -1.9854500000e-01 -5.8339000000e-01 -5.5572700000e-01 -7.7341400000e-01  7.1405800000e-01  1.1711740000e+00  8.2431000000e-01  1.7746000000e-02  9.0491800000e-01  1.7412730000e+00  8.4962000000e-02  1.2419880000e+00  6.6332500000e-01 -9.2315900000e-01
+ENERGY -1.526566604426e+02
+FORCES  9.1066000000e-03  7.3383000000e-03  1.6230000000e-03 -2.0255000000e-03 -1.8534000000e-03 -1.5041000000e-03 -4.9357000000e-03 -3.5723000000e-03 -5.5300000000e-05  3.9140000000e-04  2.0827000000e-03 -3.7322000000e-03 -1.0930000000e-04 -5.1017000000e-03 -8.1070000000e-04 -2.4275000000e-03  1.1064000000e-03  4.4792000000e-03
+
+JOB 32
+COORDS  1.1863160000e+00  6.7465400000e-01 -6.3754600000e-01  1.7530970000e+00  3.6549200000e-01  6.9144000000e-02  3.0353600000e-01  6.4180800000e-01 -2.6896400000e-01 -1.1268280000e+00 -6.2678400000e-01  5.6684400000e-01 -2.0289500000e+00 -3.1506800000e-01  6.3922400000e-01 -1.1485660000e+00 -1.5113880000e+00  9.3185800000e-01
+ENERGY -1.526589635545e+02
+FORCES -6.4716000000e-03 -5.4848000000e-03  6.8083000000e-03 -5.4920000000e-04  8.9250000000e-04 -2.4956000000e-03  4.4575000000e-03  5.7523000000e-03 -3.3610000000e-03 -9.9470000000e-04 -4.0354000000e-03  5.1850000000e-04  4.6751000000e-03 -1.2301000000e-03 -5.5130000000e-04 -1.1171000000e-03  4.1055000000e-03 -9.1900000000e-04
+
+JOB 33
+COORDS -4.6453200000e-01 -2.8024200000e-01  1.3070450000e+00 -7.7497000000e-01  1.3706800000e-01  2.1106070000e+00 -1.0331100000e+00 -1.0424190000e+00  1.1973330000e+00  4.6104700000e-01  2.9226600000e-01 -1.3815160000e+00  1.2574520000e+00  7.5639200000e-01 -1.6395030000e+00  6.5299800000e-01 -4.5855000000e-02 -5.0683800000e-01
+ENERGY -1.526587128225e+02
+FORCES -4.4451000000e-03  8.6600000000e-04  1.1975000000e-03  5.4230000000e-04 -2.4908000000e-03 -3.0528000000e-03  3.0876000000e-03  3.3373000000e-03  1.0181000000e-03  9.4720000000e-04  1.9590000000e-04  7.3430000000e-03 -2.8159000000e-03 -1.3220000000e-03  1.7913000000e-03  2.6838000000e-03 -5.8640000000e-04 -8.2971000000e-03
+
+JOB 34
+COORDS -1.2535730000e+00 -7.3123800000e-01 -4.0281700000e-01 -1.7557850000e+00 -1.1008940000e+00  3.2338500000e-01 -4.3201000000e-01 -4.4367400000e-01 -4.6040000000e-03  1.1932190000e+00  7.3177800000e-01  3.8517400000e-01  1.8986040000e+00  1.2148400000e-01  1.7022200000e-01  1.2591050000e+00  1.4181650000e+00 -2.7872700000e-01
+ENERGY -1.526613293810e+02
+FORCES  5.7731000000e-03  3.9632000000e-03  5.5599000000e-03  2.3132000000e-03  1.2922000000e-03 -1.9987000000e-03 -7.3201000000e-03 -7.2304000000e-03 -3.5584000000e-03  3.6829000000e-03  3.5142000000e-03 -4.1336000000e-03 -5.1405000000e-03  2.1707000000e-03  7.2040000000e-04  6.9130000000e-04 -3.7099000000e-03  3.4105000000e-03
+
+JOB 35
+COORDS  8.8037000000e-01 -1.6451000000e-01  1.2075930000e+00  1.1602890000e+00 -1.0603830000e+00  1.3954430000e+00  3.9554800000e-01 -2.3205700000e-01  3.8502700000e-01 -8.0882500000e-01  2.0272800000e-01 -1.1446990000e+00 -1.0583560000e+00 -3.4300000000e-04 -2.0462130000e+00 -1.5707960000e+00  6.5324500000e-01 -7.8046300000e-01
+ENERGY -1.526614097673e+02
+FORCES -3.2743000000e-03 -2.2185000000e-03 -7.2705000000e-03 -1.0833000000e-03  2.6871000000e-03 -1.1597000000e-03  4.0687000000e-03 -6.3660000000e-04  9.0488000000e-03 -2.9354000000e-03  1.2606000000e-03 -2.1115000000e-03 -2.5660000000e-04  1.5854000000e-03  4.0455000000e-03  3.4810000000e-03 -2.6780000000e-03 -2.5527000000e-03
+
+JOB 36
+COORDS  5.0898100000e-01 -5.5440500000e-01  1.2894100000e+00 -6.7078000000e-02  1.2424100000e-01  1.6413020000e+00  1.3167950000e+00 -9.1723000000e-02  1.0667130000e+00 -5.3212600000e-01  4.8583700000e-01 -1.3582450000e+00 -7.3335100000e-01  1.1862140000e+00 -7.3759100000e-01 -1.6254300000e-01 -2.1357100000e-01 -8.1929300000e-01
+ENERGY -1.526571713722e+02
+FORCES  1.5518000000e-03  5.0218000000e-03  3.2123000000e-03  2.4499000000e-03 -2.4739000000e-03 -3.6930000000e-03 -5.3434000000e-03 -2.2281000000e-03 -4.9320000000e-04  1.3554000000e-03 -3.2322000000e-03  8.8308000000e-03  9.1290000000e-04 -1.4700000000e-03 -1.3235000000e-03 -9.2660000000e-04  4.3823000000e-03 -6.5334000000e-03
+
+JOB 37
+COORDS -5.5690000000e-01 -9.3093900000e-01  9.7549200000e-01 -1.4203080000e+00 -5.2458100000e-01  9.0043800000e-01 -2.7276500000e-01 -7.2791900000e-01  1.8667170000e+00  6.2942100000e-01  8.6224700000e-01 -1.0732130000e+00  6.5967000000e-01  1.7918730000e+00 -8.4713400000e-01 -6.6041000000e-02  5.0368400000e-01 -5.2185300000e-01
+ENERGY -1.526559165308e+02
+FORCES -1.2890000000e-04 -1.6260000000e-04  5.7426000000e-03  6.8975000000e-03  1.0389000000e-03 -2.4950000000e-03 -2.2108000000e-03 -8.3090000000e-04 -4.2408000000e-03 -2.8885000000e-03 -2.9189000000e-03  6.5740000000e-03 -5.6140000000e-04 -3.8029000000e-03  1.4650000000e-04 -1.1079000000e-03  6.6764000000e-03 -5.7273000000e-03
+
+JOB 38
+COORDS -1.8108600000e-01  1.0165190000e+00  1.0816330000e+00 -3.2613000000e-01  4.0272700000e-01  1.8016710000e+00 -9.3734900000e-01  1.6026070000e+00  1.1098660000e+00  2.1506100000e-01 -1.0737500000e+00 -1.1523880000e+00  3.2552500000e-01 -9.6384400000e-01 -2.0795700000e-01  3.5838300000e-01 -1.9921400000e-01 -1.5141560000e+00
+ENERGY -1.526569677104e+02
+FORCES -5.3052000000e-03  8.5330000000e-04  2.5151000000e-03  1.3908000000e-03  1.3055000000e-03 -4.8073000000e-03  3.6239000000e-03 -2.2816000000e-03  2.7820000000e-04  2.2170000000e-04  9.0681000000e-03  5.3494000000e-03  3.2780000000e-04 -5.1181000000e-03 -1.5235000000e-03 -2.5900000000e-04 -3.8271000000e-03 -1.8119000000e-03
+
+JOB 39
+COORDS  1.4316460000e+00 -2.2922700000e-01 -4.9581800000e-01  1.6691590000e+00  4.6570400000e-01  1.1809700000e-01  1.4300420000e+00  1.9763100000e-01 -1.3525680000e+00 -1.4933890000e+00  1.2429500000e-01  5.4756700000e-01 -1.4648920000e+00  1.0715220000e+00  4.1273000000e-01 -7.3010200000e-01 -2.0839500000e-01  7.5400000000e-02
+ENERGY -1.526591065006e+02
+FORCES  5.2432000000e-03  4.3038000000e-03 -7.7360000000e-04 -2.5324000000e-03 -2.9857000000e-03 -3.7222000000e-03 -1.5336000000e-03 -1.6418000000e-03  4.8967000000e-03  6.8546000000e-03  4.4680000000e-04 -3.8469000000e-03  4.3650000000e-04 -2.9239000000e-03  6.0010000000e-04 -8.4682000000e-03  2.8008000000e-03  2.8459000000e-03
+
+JOB 40
+COORDS -1.0468880000e+00 -1.2066720000e+00 -9.5112000000e-02 -4.9385800000e-01 -1.8792460000e+00 -4.9264700000e-01 -4.5022300000e-01 -4.7962500000e-01  8.2722000000e-02  9.4319400000e-01  1.1539330000e+00  1.0582100000e-01  1.7562390000e+00  1.3094220000e+00  5.8646000000e-01  7.3480200000e-01  1.9988040000e+00 -2.9292300000e-01
+ENERGY -1.526613342339e+02
+FORCES  7.1267000000e-03  3.8099000000e-03 -5.7230000000e-04 -1.8811000000e-03  1.7087000000e-03  1.3532000000e-03 -6.4285000000e-03 -6.9590000000e-03 -6.6820000000e-04  2.6719000000e-03  4.8139000000e-03  3.6660000000e-04 -3.3997000000e-03  1.0430000000e-04 -2.7208000000e-03  1.9107000000e-03 -3.4778000000e-03  2.2415000000e-03
+
+JOB 41
+COORDS  9.9842500000e-01 -6.9750600000e-01 -8.9407000000e-01  1.9503110000e+00 -6.6943800000e-01 -7.9733000000e-01  8.5179100000e-01 -6.5241800000e-01 -1.8388960000e+00 -1.0456750000e+00  7.2393800000e-01  9.9839400000e-01 -3.4436100000e-01  1.9295000000e-01  6.2097800000e-01 -1.7456630000e+00  6.9565000000e-01  3.4612900000e-01
+ENERGY -1.526603849221e+02
+FORCES  3.8375000000e-03  4.4550000000e-04 -4.4986000000e-03 -4.3583000000e-03 -2.0670000000e-04 -9.9780000000e-04  1.1025000000e-03 -4.1150000000e-04  4.0845000000e-03  3.1243000000e-03 -4.2883000000e-03 -6.7736000000e-03 -5.3569000000e-03  3.9319000000e-03  6.0977000000e-03  1.6508000000e-03  5.2910000000e-04  2.0877000000e-03
+
+JOB 42
+COORDS  1.3654090000e+00  2.5118800000e-01  6.8442800000e-01  1.2469450000e+00 -2.5021300000e-01  1.4911460000e+00  1.5874770000e+00  1.1338210000e+00  9.8087000000e-01 -1.4018670000e+00 -2.4530900000e-01 -7.9002200000e-01 -5.1468000000e-01 -5.9921500000e-01 -8.5231800000e-01 -1.6735710000e+00 -4.3539600000e-01  1.0790600000e-01
+ENERGY -1.526563131918e+02
+FORCES  4.9020000000e-04  4.0630000000e-03  4.1456000000e-03 -7.7850000000e-04  1.7009000000e-03 -4.0712000000e-03 -3.7680000000e-04 -4.1828000000e-03 -4.3140000000e-04  6.8515000000e-03 -2.4680000000e-04  5.0960000000e-03 -5.9534000000e-03 -1.4935000000e-03 -1.9370000000e-03 -2.3310000000e-04  1.5920000000e-04 -2.8020000000e-03
+
+JOB 43
+COORDS -7.7459300000e-01  1.2975720000e+00 -4.3099700000e-01 -2.4501300000e-01  1.5768060000e+00  3.1586600000e-01 -1.5942170000e+00  1.7833600000e+00 -3.3902300000e-01  7.7396900000e-01 -1.4092740000e+00  3.9299900000e-01  8.1329200000e-01 -7.4197700000e-01  1.0781270000e+00  1.0306330000e+00 -9.4851600000e-01 -4.0578700000e-01
+ENERGY -1.526534036997e+02
+FORCES -2.9376000000e-03  2.7955000000e-03  3.3769000000e-03 -8.3440000000e-04 -2.6298000000e-03 -2.9277000000e-03  3.6702000000e-03 -2.0015000000e-03 -1.8100000000e-04 -1.8419000000e-03  6.3497000000e-03 -2.5428000000e-03  5.9080000000e-04 -1.6444000000e-03 -1.6413000000e-03  1.3529000000e-03 -2.8694000000e-03  3.9160000000e-03
+
+JOB 44
+COORDS  7.3495200000e-01 -9.4839400000e-01 -1.1332440000e+00  1.2274000000e-01 -4.5117500000e-01 -5.9084000000e-01  8.0309600000e-01 -1.7991770000e+00 -6.9993600000e-01 -7.1135000000e-01  9.1233700000e-01  1.0397690000e+00 -1.2528480000e+00  1.2615290000e+00  1.7476370000e+00 -5.3210000000e-03  1.5509770000e+00  9.4030100000e-01
+ENERGY -1.526600884191e+02
+FORCES -4.2836000000e-03 -5.9550000000e-04  5.8064000000e-03  5.6616000000e-03 -2.6159000000e-03 -5.5534000000e-03  9.3700000000e-05  2.5550000000e-03 -1.8744000000e-03 -8.0500000000e-04  4.7454000000e-03  4.0752000000e-03  3.0703000000e-03 -5.9550000000e-04 -2.6157000000e-03 -3.7370000000e-03 -3.4935000000e-03  1.6200000000e-04
+
+JOB 45
+COORDS  3.8787800000e-01  1.3529870000e+00 -8.7236600000e-01 -3.0591000000e-02  1.4266770000e+00 -1.7300860000e+00  2.9014900000e-01  4.3056300000e-01 -6.3611300000e-01 -3.3569200000e-01 -1.2536970000e+00  9.2979900000e-01 -1.2194080000e+00 -1.4033810000e+00  5.9383200000e-01  1.0519800000e-01 -2.0974000000e+00  8.2974100000e-01
+ENERGY -1.526582918848e+02
+FORCES -1.6526000000e-03 -5.2212000000e-03  5.9420000000e-04  1.0802000000e-03 -8.7750000000e-04  3.3942000000e-03  8.4010000000e-04  6.7147000000e-03 -6.1676000000e-03 -3.0831000000e-03 -6.0493000000e-03  2.2155000000e-03  5.0308000000e-03  1.0818000000e-03  2.0260000000e-04 -2.2155000000e-03  4.3514000000e-03 -2.3880000000e-04
+
+JOB 46
+COORDS -7.7365400000e-01 -4.2488000000e-02 -1.4678060000e+00 -2.2133900000e-01 -4.4346700000e-01 -2.1389210000e+00 -1.7440900000e-01  1.4783600000e-01 -7.4606300000e-01  7.0977100000e-01  1.0340700000e-01  1.4226110000e+00  5.8901600000e-01  1.5530200000e-01  2.3707440000e+00  8.0296200000e-01 -8.3223900000e-01  1.2434090000e+00
+ENERGY -1.526584201320e+02
+FORCES  4.5369000000e-03  1.5892000000e-03  2.1904000000e-03 -1.8068000000e-03  9.6000000000e-04  3.1758000000e-03 -2.6827000000e-03 -3.8319000000e-03 -7.1491000000e-03 -8.5030000000e-04 -2.7772000000e-03  6.4567000000e-03  1.3127000000e-03 -1.1055000000e-03 -3.7215000000e-03 -5.0990000000e-04  5.1654000000e-03 -9.5230000000e-04
+
+JOB 47
+COORDS  5.2940000000e-03 -1.0719720000e+00  1.1575070000e+00 -6.9197600000e-01 -9.4739700000e-01  1.8013440000e+00  3.1803000000e-01 -1.9633740000e+00  1.3118810000e+00  3.5708000000e-02  1.1746550000e+00 -1.1768940000e+00  9.6108000000e-02  2.8559100000e-01 -8.2739700000e-01 -2.9985200000e-01  1.0606950000e+00 -2.0660750000e+00
+ENERGY -1.526593059338e+02
+FORCES -1.8943000000e-03 -2.8040000000e-03  5.5980000000e-03  3.2391000000e-03 -1.6773000000e-03 -2.4619000000e-03 -1.7025000000e-03  3.8647000000e-03 -6.8590000000e-04 -6.1280000000e-04 -5.5323000000e-03  6.5710000000e-04 -1.6580000000e-04  6.0856000000e-03 -6.4426000000e-03  1.1363000000e-03  6.3300000000e-05  3.3355000000e-03
+
+JOB 48
+COORDS  1.6613830000e+00 -1.3566000000e-02 -2.8177300000e-01  1.2507200000e+00  4.5247700000e-01 -1.0100530000e+00  1.7481870000e+00 -9.1490100000e-01 -5.9208200000e-01 -1.7122720000e+00  2.2687000000e-02  3.6011000000e-01 -1.1826840000e+00  7.8072100000e-01  6.0740200000e-01 -1.1449120000e+00 -4.8846000000e-01 -2.1700600000e-01
+ENERGY -1.526551289593e+02
+FORCES  1.7421000000e-03 -1.9685000000e-03 -4.4705000000e-03 -6.8700000000e-05 -2.6126000000e-03  4.4496000000e-03 -1.5801000000e-03  4.2740000000e-03  1.2811000000e-03  7.2682000000e-03  6.3920000000e-04  5.7120000000e-04 -3.8356000000e-03 -1.7165000000e-03 -1.7806000000e-03 -3.5259000000e-03  1.3844000000e-03 -5.0800000000e-05
+
+JOB 49
+COORDS -6.6898100000e-01 -1.5175260000e+00 -3.7472200000e-01 -4.7398900000e-01 -1.9949990000e+00 -1.1810900000e+00 -1.1820400000e-01 -1.9325430000e+00  2.8908400000e-01  5.8320300000e-01  1.5515720000e+00  3.4737700000e-01  7.2300600000e-01  1.4353050000e+00  1.2871480000e+00  1.3991660000e+00  1.9379660000e+00  2.9358000000e-02
+ENERGY -1.526515152187e+02
+FORCES  4.0001000000e-03 -1.9204000000e-03 -7.3470000000e-04 -8.7800000000e-04  1.8658000000e-03  3.1921000000e-03 -2.4278000000e-03  1.3028000000e-03 -2.1560000000e-03  3.0960000000e-03  4.1880000000e-04  2.4228000000e-03 -3.4150000000e-04  2.3050000000e-04 -3.7509000000e-03 -3.4488000000e-03 -1.8974000000e-03  1.0267000000e-03
+
+JOB 50
+COORDS -9.7603500000e-01  1.2595580000e+00 -7.4248200000e-01 -7.9684300000e-01  1.5034740000e+00 -1.6505720000e+00 -3.0518400000e-01  1.7158670000e+00 -2.3457200000e-01  9.6492400000e-01 -1.3580210000e+00  7.7157900000e-01  1.2529910000e+00 -4.4559000000e-01  7.4478500000e-01  9.7320000000e-03 -1.3093410000e+00  7.3323300000e-01
+ENERGY -1.526553741625e+02
+FORCES  2.7043000000e-03  3.9766000000e-03 -3.4312000000e-03 -7.7670000000e-04 -6.8270000000e-04  4.1687000000e-03 -2.0482000000e-03 -3.5097000000e-03 -1.4223000000e-03 -4.5535000000e-03  4.4484000000e-03 -1.7491000000e-03 -6.5000000000e-06 -2.5761000000e-03  6.9960000000e-04  4.6805000000e-03 -1.6564000000e-03  1.7343000000e-03
+
+JOB 51
+COORDS  1.2214210000e+00 -9.8717400000e-01 -9.0947400000e-01  5.4531600000e-01 -1.2606530000e+00 -2.8953500000e-01  2.0149740000e+00 -1.4310880000e+00 -6.1039900000e-01 -1.1972200000e+00  1.0802410000e+00  8.6530900000e-01 -1.8163360000e+00  8.6796700000e-01  1.6683400000e-01 -1.1421070000e+00  2.8050200000e-01  1.3883890000e+00
+ENERGY -1.526525564356e+02
+FORCES  6.7460000000e-04 -1.6682000000e-03  4.2016000000e-03  1.9873000000e-03 -1.1910000000e-04 -2.3559000000e-03 -3.4153000000e-03  1.8409000000e-03 -1.1568000000e-03 -2.3387000000e-03 -2.7435000000e-03 -1.2432000000e-03  2.5701000000e-03  3.7310000000e-04  3.4797000000e-03  5.2200000000e-04  2.3168000000e-03 -2.9253000000e-03
+
+JOB 52
+COORDS -7.9411200000e-01 -2.4173700000e-01  1.5536440000e+00 -1.5183340000e+00 -8.0924600000e-01  1.8175920000e+00 -2.1890800000e-01 -2.1536600000e-01  2.3182860000e+00  8.6222700000e-01  2.7383900000e-01 -1.6268340000e+00  2.0731300000e-01 -3.7094600000e-01 -1.8943650000e+00  3.8117400000e-01  8.8908700000e-01 -1.0734000000e+00
+ENERGY -1.526563101905e+02
+FORCES  7.0600000000e-05 -2.8190000000e-03  5.0292000000e-03  3.0436000000e-03  2.2915000000e-03 -1.2787000000e-03 -2.9021000000e-03  2.6300000000e-05 -2.9136000000e-03 -5.7939000000e-03 -8.5110000000e-04  3.7584000000e-03  2.6783000000e-03  2.2413000000e-03 -4.3540000000e-04  2.9035000000e-03 -8.8910000000e-04 -4.1599000000e-03
+
+JOB 53
+COORDS  4.2997500000e-01  1.7860410000e+00 -3.1639200000e-01  1.0669130000e+00  1.5220010000e+00  3.4755400000e-01 -4.2133800000e-01  1.6373910000e+00  9.5191000000e-02 -4.0185200000e-01 -1.7024280000e+00  2.8228300000e-01  3.5630000000e-02 -2.2075080000e+00 -4.0308900000e-01 -1.1343120000e+00 -2.2542430000e+00  5.5657000000e-01
+ENERGY -1.526556707953e+02
+FORCES -1.6360000000e-03 -4.4223000000e-03  4.8488000000e-03 -1.5945000000e-03  2.2812000000e-03 -2.6469000000e-03  2.9282000000e-03  2.7697000000e-03 -1.5757000000e-03 -7.0690000000e-04 -4.7337000000e-03 -2.8813000000e-03 -1.9170000000e-03  1.4301000000e-03  3.3499000000e-03  2.9263000000e-03  2.6750000000e-03 -1.0948000000e-03
+
+JOB 54
+COORDS  1.2546860000e+00  1.4237690000e+00  9.0586000000e-02  5.3716800000e-01  8.9662000000e-01  4.4203100000e-01  1.4554620000e+00  1.0225430000e+00 -7.5495500000e-01 -1.2511990000e+00 -1.3738170000e+00 -1.0584000000e-02 -7.7390100000e-01 -2.0962940000e+00 -4.1856100000e-01 -1.2536840000e+00 -6.8322400000e-01 -6.7338600000e-01
+ENERGY -1.526552957821e+02
+FORCES -1.7324000000e-03 -4.5641000000e-03 -4.4810000000e-04  3.2707000000e-03  4.0832000000e-03 -3.1597000000e-03 -1.4423000000e-03  1.5651000000e-03  2.9205000000e-03 -4.5800000000e-05 -2.5220000000e-03 -5.0761000000e-03 -1.9655000000e-03  3.6822000000e-03  1.6583000000e-03  1.9153000000e-03 -2.2445000000e-03  4.1052000000e-03
+
+JOB 55
+COORDS -7.9482100000e-01  1.5856330000e+00  7.9005500000e-01  1.4421900000e-01  1.4535030000e+00  6.5975900000e-01 -1.1794880000e+00  1.4432500000e+00 -7.4810000000e-02  8.1767200000e-01 -1.5341030000e+00 -7.5257700000e-01 -6.3882000000e-02 -1.4866120000e+00 -1.1224940000e+00  7.6860600000e-01 -2.2372150000e+00 -1.0492200000e-01
+ENERGY -1.526556638245e+02
+FORCES  3.6614000000e-03 -1.6785000000e-03 -4.3499000000e-03 -4.4299000000e-03  2.0106000000e-03  1.2241000000e-03  6.8100000000e-04  2.4950000000e-04  3.2559000000e-03 -3.9819000000e-03 -4.0467000000e-03  1.6639000000e-03  3.6738000000e-03  6.8590000000e-04  1.2308000000e-03  3.9550000000e-04  2.7791000000e-03 -3.0248000000e-03
+
+JOB 56
+COORDS -3.1719400000e-01 -7.6000000000e-02 -1.8557200000e+00 -3.5653400000e-01 -9.8745900000e-01 -1.5660180000e+00 -2.0692000000e-02 -1.2561200000e-01 -2.7644860000e+00  3.3707700000e-01  1.6519500000e-01  1.9374250000e+00  6.5652900000e-01 -2.3027000000e-01  1.1263830000e+00 -6.0168200000e-01 -2.1734000000e-02  1.9420510000e+00
+ENERGY -1.526546290876e+02
+FORCES  6.8480000000e-04 -3.3771000000e-03 -4.6908000000e-03  7.5860000000e-04  4.3436000000e-03  4.1050000000e-04 -1.4268000000e-03  3.3400000000e-05  3.9499000000e-03 -2.7530000000e-03 -8.1520000000e-04 -4.7522000000e-03 -1.0530000000e-03 -2.1750000000e-04  4.5501000000e-03  3.7895000000e-03  3.2800000000e-05  5.3240000000e-04
+
+JOB 57
+COORDS -2.4054000000e-02  8.0767800000e-01 -1.7760560000e+00  9.0523000000e-02  1.7569170000e+00 -1.8213200000e+00 -1.3200000000e-01  6.2319900000e-01 -8.4302500000e-01  2.6764000000e-02 -8.1601000000e-01  1.6633600000e+00  6.4075500000e-01 -1.4662090000e+00  2.0046640000e+00 -6.7731900000e-01 -7.8752100000e-01  2.3111930000e+00
+ENERGY -1.526575693139e+02
+FORCES  2.7610000000e-04  1.8795000000e-03  4.9923000000e-03 -5.0070000000e-04 -3.4620000000e-03  8.4100000000e-05 -1.6330000000e-04  2.8317000000e-03 -6.4554000000e-03  2.0020000000e-04 -4.0068000000e-03  4.8475000000e-03 -2.9047000000e-03  2.7383000000e-03 -7.6030000000e-04  3.0924000000e-03  1.9200000000e-05 -2.7083000000e-03
+
+JOB 58
+COORDS -5.7060000000e-03 -1.9536470000e+00  1.3677400000e-01 -2.3459300000e-01 -1.0960600000e+00 -2.2153600000e-01 -2.8454800000e-01 -2.5764090000e+00 -5.3452800000e-01  3.2987000000e-02  1.9521590000e+00 -1.4916500000e-01 -3.3942100000e-01  1.1975690000e+00  3.0705500000e-01  3.8247100000e-01  2.5061180000e+00  5.4884700000e-01
+ENERGY -1.526537869742e+02
+FORCES -1.4744000000e-03  4.0700000000e-05 -5.7972000000e-03 -2.2170000000e-04 -2.0050000000e-03  3.9072000000e-03  1.2238000000e-03  2.3925000000e-03  3.0539000000e-03  6.2460000000e-04  6.5310000000e-04  6.2463000000e-03  1.5584000000e-03  8.6820000000e-04 -4.1818000000e-03 -1.7106000000e-03 -1.9496000000e-03 -3.2283000000e-03
+
+JOB 59
+COORDS  7.7135700000e-01  1.6725800000e+00  8.5033200000e-01  1.6464580000e+00  1.3940350000e+00  5.8044100000e-01  2.0848100000e-01  1.4463020000e+00  1.0992600000e-01 -7.5080300000e-01 -1.5854810000e+00 -8.1411600000e-01 -8.3757500000e-01 -1.9189900000e+00  7.8898000000e-02 -1.2623880000e+00 -2.1932830000e+00 -1.3480540000e+00
+ENERGY -1.526567168108e+02
+FORCES  8.5970000000e-04 -2.7983000000e-03 -5.1352000000e-03 -3.0409000000e-03  1.4339000000e-03  1.5245000000e-03  2.6037000000e-03  2.5165000000e-03  3.8399000000e-03 -2.7900000000e-03 -4.7098000000e-03  1.5949000000e-03  2.4280000000e-04  1.1542000000e-03 -4.1808000000e-03  2.1246000000e-03  2.4035000000e-03  2.3567000000e-03
+
+JOB 60
+COORDS -1.3962740000e+00 -1.2059010000e+00 -9.1490800000e-01 -2.1798290000e+00 -8.6584500000e-01 -4.8289300000e-01 -7.6812000000e-01 -1.3364830000e+00 -2.0455400000e-01  1.3417370000e+00  1.1680730000e+00  8.7709200000e-01  2.1604230000e+00  1.3188910000e+00  1.3495760000e+00  1.5228420000e+00  1.4603850000e+00 -1.6208000000e-02
+ENERGY -1.526562872796e+02
+FORCES -3.5000000000e-05  1.4696000000e-03  5.5748000000e-03  2.6655000000e-03 -1.5719000000e-03 -2.0069000000e-03 -3.2985000000e-03 -7.3520000000e-04 -3.6885000000e-03  4.3895000000e-03  2.6409000000e-03 -2.0601000000e-03 -3.3900000000e-03 -6.6180000000e-04 -2.0086000000e-03 -3.3160000000e-04 -1.1416000000e-03  4.1893000000e-03
+
+JOB 61
+COORDS -3.1011400000e-01  2.0317000000e+00 -1.6731100000e-01  5.8446500000e-01  2.2450760000e+00  9.8079000000e-02 -7.3956100000e-01  1.7506510000e+00  6.4066000000e-01  3.1409200000e-01 -1.9685930000e+00  9.4699000000e-02  3.3524300000e-01 -2.6398280000e+00  7.7677500000e-01 -2.8448300000e-01 -2.3167510000e+00 -5.6615300000e-01
+ENERGY -1.526543722700e+02
+FORCES  2.5950000000e-03 -2.0911000000e-03  4.5042000000e-03 -3.6003000000e-03  5.9800000000e-05 -1.0120000000e-03  1.1195000000e-03  2.1614000000e-03 -3.0027000000e-03 -2.5490000000e-03 -4.1904000000e-03 -9.7140000000e-04 -8.7700000000e-05  3.1328000000e-03 -2.5777000000e-03  2.5225000000e-03  9.2760000000e-04  3.0596000000e-03
+
+JOB 62
+COORDS -1.9672870000e+00 -5.5526900000e-01  7.2856400000e-01 -1.7088760000e+00  3.5240900000e-01  5.6864100000e-01 -1.1466840000e+00 -1.0471730000e+00  6.9903700000e-01  1.8888630000e+00  5.2705700000e-01 -6.5976400000e-01  1.3823250000e+00  1.7624300000e-01 -1.3922810000e+00  2.6350340000e+00  9.6328400000e-01 -1.0710620000e+00
+ENERGY -1.526556425125e+02
+FORCES  5.2066000000e-03  2.1344000000e-03  2.4970000000e-04 -1.9300000000e-03 -3.8107000000e-03  1.2870000000e-04 -4.0448000000e-03  1.4040000000e-03 -5.6420000000e-04  2.3917000000e-03  7.5300000000e-04 -5.1299000000e-03  1.5804000000e-03  1.3901000000e-03  3.7777000000e-03 -3.2040000000e-03 -1.8708000000e-03  1.5381000000e-03
+
+JOB 63
+COORDS  3.8512400000e-01  8.9667200000e-01  1.8389690000e+00  1.8349800000e-01  1.5311470000e+00  1.1512040000e+00  6.9544300000e-01  1.4280240000e+00  2.5721810000e+00 -3.6430800000e-01 -9.0365900000e-01 -1.8689420000e+00 -1.3037400000e+00 -1.0696020000e+00 -1.7904350000e+00  4.8605000000e-02 -1.6583800000e+00 -1.4492640000e+00
+ENERGY -1.526551962229e+02
+FORCES  5.2200000000e-04  4.8587000000e-03 -6.6480000000e-04  7.1260000000e-04 -2.0556000000e-03  3.8633000000e-03 -1.2597000000e-03 -2.1880000000e-03 -2.9529000000e-03 -1.8255000000e-03 -4.2083000000e-03  2.8369000000e-03  3.6850000000e-03  8.6480000000e-04 -5.8910000000e-04 -1.8344000000e-03  2.7284000000e-03 -2.4934000000e-03
+
+JOB 64
+COORDS  1.1641840000e+00 -2.6275500000e-01  1.7234970000e+00  2.0178090000e+00 -6.8746200000e-01  1.6387680000e+00  1.3381110000e+00  6.6235100000e-01  1.5498270000e+00 -1.2456190000e+00  2.8541600000e-01 -1.6599510000e+00 -1.2137970000e+00 -6.6397400000e-01 -1.5421450000e+00 -9.1704800000e-01  4.2824900000e-01 -2.5475720000e+00
+ENERGY -1.526544015477e+02
+FORCES  3.6806000000e-03  2.9312000000e-03 -1.3615000000e-03 -3.5243000000e-03  1.4902000000e-03  1.5910000000e-04  3.5200000000e-05 -3.9336000000e-03  1.3486000000e-03  1.4437000000e-03 -3.9801000000e-03 -2.3100000000e-03 -5.1530000000e-04  3.9007000000e-03 -1.4839000000e-03 -1.1199000000e-03 -4.0830000000e-04  3.6477000000e-03
+
+JOB 65
+COORDS -1.0313680000e+00  6.5370400000e-01  1.7804640000e+00 -4.4944700000e-01  1.4008900000e+00  1.6414940000e+00 -5.1624700000e-01  4.3166000000e-02  2.3078400000e+00  9.9001800000e-01 -6.2358000000e-01 -1.7684540000e+00  1.5017800000e-01 -1.0424850000e+00 -1.5802530000e+00  1.2854000000e+00 -1.0328110000e+00 -2.5817870000e+00
+ENERGY -1.526553738854e+02
+FORCES  5.1714000000e-03  1.0156000000e-03  1.3594000000e-03 -2.7777000000e-03 -2.8610000000e-03  1.1644000000e-03 -2.4168000000e-03  2.2636000000e-03 -2.0158000000e-03 -2.8798000000e-03 -3.2308000000e-03 -2.4388000000e-03  4.0856000000e-03  1.1832000000e-03 -1.3899000000e-03 -1.1826000000e-03  1.6294000000e-03  3.3207000000e-03
+
+JOB 66
+COORDS -3.6692800000e-01  1.5083290000e+00  1.4209440000e+00 -2.5817800000e-01  2.3967810000e+00  1.7601460000e+00 -8.6998100000e-01  1.0534590000e+00  2.0964170000e+00  4.3098800000e-01 -1.5628100000e+00 -1.4324630000e+00  3.3990500000e-01 -6.2231000000e-01 -1.5854230000e+00 -1.3801800000e-01 -1.9685430000e+00 -2.0865620000e+00
+ENERGY -1.526550112797e+02
+FORCES -1.4851000000e-03  1.2316000000e-03  4.8210000000e-03 -4.8970000000e-04 -3.6266000000e-03 -1.5169000000e-03  1.8557000000e-03  2.3937000000e-03 -2.6512000000e-03 -2.6505000000e-03  3.1939000000e-03 -2.5696000000e-03  5.6090000000e-04 -4.6710000000e-03 -7.0980000000e-04  2.2086000000e-03  1.4785000000e-03  2.6265000000e-03
+
+JOB 67
+COORDS -3.3671900000e-01  8.8975000000e-01 -1.9966650000e+00 -1.1383900000e+00  1.0164800000e+00 -1.4892250000e+00  1.8167600000e-01  1.6762930000e+00 -1.8268170000e+00  3.0258500000e-01 -9.8110600000e-01  1.9711350000e+00  1.0467090000e+00 -1.1895530000e+00  1.4062800000e+00  4.7575500000e-01 -9.0926000000e-02  2.2774430000e+00
+ENERGY -1.526544521550e+02
+FORCES -1.9328000000e-03  3.4373000000e-03  2.7471000000e-03  3.4626000000e-03  2.9800000000e-05 -2.4424000000e-03 -1.8167000000e-03 -3.3393000000e-03 -4.0180000000e-04  4.0497000000e-03  2.3629000000e-03 -1.7338000000e-03 -2.8098000000e-03  8.3770000000e-04  3.0714000000e-03 -9.5310000000e-04 -3.3284000000e-03 -1.2405000000e-03
+
+JOB 68
+COORDS  2.1194400000e-01  2.0730580000e+00  9.5603200000e-01 -6.7442900000e-01  2.3779410000e+00  7.6206700000e-01  5.7956600000e-01  1.8451300000e+00  1.0213800000e-01 -1.8384800000e-01 -2.1238820000e+00 -9.4822600000e-01  4.9471500000e-01 -1.4984000000e+00 -6.9414500000e-01 -9.0371600000e-01 -1.9573760000e+00 -3.3970600000e-01
+ENERGY -1.526545164943e+02
+FORCES -2.1430000000e-03  1.8382000000e-03 -4.2687000000e-03  3.7446000000e-03 -1.6218000000e-03  8.9340000000e-04 -1.5408000000e-03 -1.5490000000e-04  3.8257000000e-03 -3.8500000000e-05  2.7226000000e-03  4.4331000000e-03 -2.7421000000e-03 -2.0901000000e-03 -1.8914000000e-03  2.7199000000e-03 -6.9400000000e-04 -2.9922000000e-03
+
+JOB 69
+COORDS -9.1883600000e-01  1.6954340000e+00 -1.1368860000e+00 -1.2808750000e+00  2.2554820000e+00 -4.5022200000e-01 -8.4669900000e-01  2.2681150000e+00 -1.9004730000e+00  9.1336600000e-01 -1.8062980000e+00  1.1650770000e+00  6.9207900000e-01 -8.8501200000e-01  1.3010830000e+00  1.5947250000e+00 -1.7927540000e+00  4.9291800000e-01
+ENERGY -1.526549325309e+02
+FORCES -1.8940000000e-03  4.8508000000e-03 -1.0085000000e-03  1.9082000000e-03 -2.4888000000e-03 -2.6004000000e-03 -2.5240000000e-04 -2.3240000000e-03  3.2505000000e-03  1.2156000000e-03  4.4289000000e-03 -3.2385000000e-03  1.2472000000e-03 -3.9749000000e-03  6.2790000000e-04 -2.2246000000e-03 -4.9190000000e-04  2.9690000000e-03
+
+JOB 70
+COORDS -1.6784000000e-02  2.1861210000e+00  9.6644000000e-01 -4.7245000000e-01  2.2150480000e+00  1.2515300000e-01  8.7307900000e-01  2.4773440000e+00  7.6753000000e-01  4.5140000000e-02 -2.1678330000e+00 -9.3285200000e-01 -6.3296600000e-01 -1.9414610000e+00 -2.9633000000e-01 -2.0107000000e-01 -3.0380010000e+00 -1.2465720000e+00
+ENERGY -1.526548058198e+02
+FORCES  2.3678000000e-03  1.1669000000e-03 -4.5700000000e-03  1.4764000000e-03 -7.4800000000e-05  3.6683000000e-03 -3.7160000000e-03 -8.1050000000e-04  9.6710000000e-04 -3.6592000000e-03 -2.6426000000e-03  1.8978000000e-03  2.5403000000e-03 -1.1978000000e-03 -3.1918000000e-03  9.9080000000e-04  3.5588000000e-03  1.2287000000e-03
+
+JOB 71
+COORDS  1.7356630000e+00  1.5419940000e+00 -7.2444100000e-01  2.0073780000e+00  2.3428990000e+00 -2.7616300000e-01  1.8956300000e+00  8.4485900000e-01 -8.8324000000e-02 -1.7241090000e+00 -1.5474450000e+00  6.1770900000e-01 -1.9629980000e+00 -2.3118640000e+00  1.1419480000e+00 -2.1319130000e+00 -8.0912500000e-01  1.0702710000e+00
+ENERGY -1.526541492376e+02
+FORCES  1.5401000000e-03 -2.8860000000e-04  4.3008000000e-03 -1.2224000000e-03 -3.1732000000e-03 -1.7690000000e-03 -1.1880000000e-04  3.4442000000e-03 -2.4552000000e-03 -3.1486000000e-03  5.1100000000e-05  3.5804000000e-03  1.1428000000e-03  3.1833000000e-03 -2.1121000000e-03  1.8068000000e-03 -3.2168000000e-03 -1.5448000000e-03
+
+JOB 72
+COORDS  3.4234600000e-01  2.0929420000e+00 -1.1569670000e+00 -1.0363900000e-01  2.5277350000e+00 -1.8837990000e+00  1.2524970000e+00  2.0185510000e+00 -1.4438870000e+00 -3.5617000000e-01 -2.1547030000e+00  1.1655950000e+00 -6.5237100000e-01 -1.2469610000e+00  1.0985040000e+00 -2.7199200000e-01 -2.3107770000e+00  2.1062260000e+00
+ENERGY -1.526551901207e+02
+FORCES  2.1517000000e-03  1.4594000000e-03 -4.5480000000e-03  1.8375000000e-03 -1.7107000000e-03  3.0197000000e-03 -3.7879000000e-03  5.4810000000e-04  1.1948000000e-03 -8.6020000000e-04  3.7231000000e-03  3.1525000000e-03  9.5790000000e-04 -4.5260000000e-03  8.7330000000e-04 -2.9900000000e-04  5.0610000000e-04 -3.6924000000e-03
+
+JOB 73
+COORDS  1.0956900000e+00 -7.2355400000e-01 -2.0855980000e+00  1.5356540000e+00 -9.3456700000e-01 -1.2621070000e+00  1.7124520000e+00 -1.5676500000e-01 -2.5488320000e+00 -1.0910510000e+00  6.9735000000e-01  2.0421100000e+00 -1.8099290000e+00  1.2392870000e+00  1.7169190000e+00 -1.4421210000e+00  2.7971000000e-01  2.8285950000e+00
+ENERGY -1.526544379452e+02
+FORCES  4.0246000000e-03  1.6799000000e-03  2.3129000000e-03 -1.2742000000e-03  4.7020000000e-04 -3.9510000000e-03 -2.4761000000e-03 -2.2813000000e-03  1.6716000000e-03 -4.7343000000e-03  5.0830000000e-04  1.4043000000e-03  2.9075000000e-03 -2.0587000000e-03  1.7132000000e-03  1.5525000000e-03  1.6817000000e-03 -3.1510000000e-03
+
+JOB 74
+COORDS  7.7858300000e-01  1.5250130000e+00  1.8553170000e+00  1.3289160000e+00  8.7488700000e-01  1.4186240000e+00  4.8485000000e-02  1.0199320000e+00  2.2132020000e+00 -7.5604300000e-01 -1.4993640000e+00 -1.9031000000e+00 -1.4957480000e+00 -9.0983900000e-01 -1.7563720000e+00 -1.9279600000e-01 -1.3723080000e+00 -1.1396590000e+00
+ENERGY -1.526534814167e+02
+FORCES -1.5430000000e-04 -4.2175000000e-03  5.3190000000e-04 -2.9104000000e-03  2.3654000000e-03  1.3961000000e-03  2.9708000000e-03  1.9042000000e-03 -2.1144000000e-03 -9.3590000000e-04  3.2311000000e-03  3.2536000000e-03  3.0984000000e-03 -2.7085000000e-03 -4.2850000000e-04 -2.0687000000e-03 -5.7470000000e-04 -2.6388000000e-03
+
+JOB 75
+COORDS -1.3152590000e+00 -1.3865050000e+00 -1.6197090000e+00 -6.2464200000e-01 -1.7998480000e+00 -2.1378100000e+00 -1.7113530000e+00 -2.1069660000e+00 -1.1295270000e+00  1.3094360000e+00  1.3930540000e+00  1.5933260000e+00  1.4331030000e+00  2.2686820000e+00  1.2269730000e+00  9.5062600000e-01  1.5470340000e+00  2.4672700000e+00
+ENERGY -1.526536633531e+02
+FORCES  1.8475000000e-03 -4.4185000000e-03  4.8010000000e-04 -3.0248000000e-03  1.5570000000e-03  1.7778000000e-03  1.3411000000e-03  2.8203000000e-03 -2.1330000000e-03 -1.5356000000e-03  4.1980000000e-03  1.6094000000e-03 -2.2200000000e-04 -3.4797000000e-03  1.6680000000e-03  1.5938000000e-03 -6.7710000000e-04 -3.4022000000e-03
+
+JOB 76
+COORDS -2.8076200000e-01  9.2039400000e-01 -2.3600380000e+00 -1.0384880000e+00  1.0414480000e+00 -2.9322520000e+00 -6.2907000000e-01  1.0268510000e+00 -1.4748370000e+00  3.4859100000e-01 -8.8621100000e-01  2.3771710000e+00  9.5397800000e-01 -1.6262690000e+00  2.3318590000e+00 -3.1412700000e-01 -1.0772910000e+00  1.7134500000e+00
+ENERGY -1.526541730992e+02
+FORCES -4.3069000000e-03  1.6154000000e-03  1.1980000000e-03  3.1040000000e-03 -6.4430000000e-04  2.4203000000e-03  1.1418000000e-03 -1.0955000000e-03 -3.7171000000e-03  2.8040000000e-04 -4.2440000000e-03 -2.8453000000e-03 -2.6175000000e-03  3.0069000000e-03  3.7790000000e-04  2.3982000000e-03  1.3616000000e-03  2.5662000000e-03
+
+JOB 77
+COORDS -2.1779430000e+00  5.1777300000e-01 -1.4186180000e+00 -1.2769580000e+00  7.0752000000e-01 -1.6802560000e+00 -2.5996080000e+00  1.3757430000e+00 -1.3704650000e+00  2.1754850000e+00 -5.4325000000e-01  1.4724130000e+00  1.5821760000e+00 -3.0945100000e-01  7.5858200000e-01  2.2751480000e+00 -1.4925260000e+00  1.4004700000e+00
+ENERGY -1.526540416348e+02
+FORCES  1.2869000000e-03  4.7141000000e-03 -1.1293000000e-03 -3.2224000000e-03 -1.2127000000e-03  1.5767000000e-03  1.8194000000e-03 -3.6208000000e-03 -2.7290000000e-04 -2.4059000000e-03 -3.2729000000e-03 -2.9028000000e-03  2.7395000000e-03 -5.4990000000e-04  2.4827000000e-03 -2.1750000000e-04  3.9423000000e-03  2.4560000000e-04
+
+JOB 78
+COORDS  7.5233800000e-01  1.9937110000e+00 -1.7596520000e+00  9.3282200000e-01  2.5543850000e+00 -1.0051300000e+00  2.3902700000e-01  2.5445780000e+00 -2.3506590000e+00 -7.7699200000e-01 -2.0253450000e+00  1.7015370000e+00  5.7840000000e-03 -1.5983020000e+00  2.0495710000e+00 -8.5274600000e-01 -2.8353980000e+00  2.2058270000e+00
+ENERGY -1.526537282656e+02
+FORCES -1.7946000000e-03  4.3628000000e-03  6.3900000000e-04 -5.3520000000e-04 -2.3076000000e-03 -2.9852000000e-03  2.2324000000e-03 -2.1386000000e-03  2.3589000000e-03  3.1430000000e-03 -1.4776000000e-03  3.0852000000e-03 -3.2876000000e-03 -1.7441000000e-03 -1.0627000000e-03  2.4200000000e-04  3.3053000000e-03 -2.0351000000e-03
+
+JOB 79
+COORDS  3.1064000000e-01 -1.7394210000e+00 -2.4342400000e+00  3.2380000000e-01 -8.2585200000e-01 -2.1488470000e+00  4.2998600000e-01 -1.6962070000e+00 -3.3829870000e+00 -3.0032700000e-01  1.6966330000e+00  2.4116740000e+00 -1.1475840000e+00  1.3759150000e+00  2.7207490000e+00  2.1314500000e-01  1.8250250000e+00  3.2092290000e+00
+ENERGY -1.526545530164e+02
+FORCES  5.9830000000e-04  4.1534000000e-03 -2.3697000000e-03 -9.1800000000e-05 -3.9469000000e-03 -1.5825000000e-03 -4.9170000000e-04 -2.3280000000e-04  3.7792000000e-03 -1.3500000000e-03 -9.5590000000e-04  4.7057000000e-03  3.4552000000e-03  1.4290000000e-03 -1.2854000000e-03 -2.1199000000e-03 -4.4680000000e-04 -3.2473000000e-03
+
+JOB 80
+COORDS  4.1066300000e-01 -2.7516800000e+00 -1.5816360000e+00 -3.6839400000e-01 -3.2854720000e+00 -1.4255310000e+00  7.7602900000e-01 -2.5996880000e+00 -7.1006400000e-01 -3.9116500000e-01  2.7013390000e+00  1.5313460000e+00 -1.0087720000e+00  3.3899910000e+00  1.7774170000e+00  3.1957200000e-01  3.1638460000e+00  1.0873050000e+00
+ENERGY -1.526543167475e+02
+FORCES -1.8640000000e-03 -1.2071000000e-03  4.4279000000e-03  3.1788000000e-03  2.0030000000e-03 -7.3540000000e-04 -1.3060000000e-03 -8.7880000000e-04 -3.6669000000e-03  3.4800000000e-04  4.7643000000e-03 -1.0258000000e-03  2.5141000000e-03 -2.8117000000e-03 -9.4790000000e-04 -2.8710000000e-03 -1.8697000000e-03  1.9480000000e-03
+
+JOB 81
+COORDS  4.7231000000e-02 -3.4494980000e+00  3.6155000000e-02 -9.0918500000e-01 -3.4447100000e+00  7.4592000000e-02  2.5080800000e-01 -3.7998130000e+00 -8.3106400000e-01 -5.7540000000e-03  3.5100170000e+00  5.6828000000e-02  2.6444400000e-01  3.5864770000e+00 -8.5825600000e-01 -3.1225100000e-01  2.6072160000e+00  1.4192700000e-01
+ENERGY -1.526541887847e+02
+FORCES -3.0223000000e-03 -1.8117000000e-03 -3.2679000000e-03  3.9403000000e-03  1.9080000000e-04 -2.1980000000e-04 -8.6340000000e-04  1.5796000000e-03  3.5242000000e-03  4.6900000000e-05 -3.5590000000e-03 -3.2582000000e-03 -1.1628000000e-03 -2.4150000000e-04  3.6611000000e-03  1.0613000000e-03  3.8418000000e-03 -4.3940000000e-04
+
+JOB 82
+COORDS  9.7082600000e-01 -8.9333900000e-01  3.2153970000e+00  1.5392430000e+00 -1.6612300000e-01  2.9618420000e+00  9.3542900000e-01 -8.4840900000e-01  4.1708870000e+00 -9.6020100000e-01  8.3134700000e-01 -3.2132370000e+00 -9.3659900000e-01  1.5173470000e+00 -3.8803800000e+00 -1.7990620000e+00  3.9138100000e-01 -3.3509880000e+00
+ENERGY -1.526539737271e+02
+FORCES  2.1754000000e-03  3.2717000000e-03  2.5681000000e-03 -2.2476000000e-03 -3.0012000000e-03  1.2702000000e-03  1.1570000000e-04 -2.1940000000e-04 -3.8523000000e-03 -3.4118000000e-03  8.2070000000e-04 -3.1683000000e-03 -4.8400000000e-05 -2.7511000000e-03  2.7369000000e-03  3.4167000000e-03  1.8793000000e-03  4.4550000000e-04
+
+JOB 83
+COORDS  2.3160100000e-01 -3.9634870000e+00  1.8178430000e+00 -3.2637900000e-01 -4.3217180000e+00  1.1275090000e+00  1.0628260000e+00 -4.4278920000e+00  1.7197340000e+00 -2.5532700000e-01  4.0338280000e+00 -1.7016410000e+00  5.4665800000e-01  3.7747730000e+00 -2.1554500000e+00 -9.3930000000e-01  3.9710140000e+00 -2.3683240000e+00
+ENERGY -1.526539308638e+02
+FORCES  1.0946000000e-03 -3.3013000000e-03 -3.1818000000e-03  2.2893000000e-03  1.4408000000e-03  2.7950000000e-03 -3.3886000000e-03  1.8867000000e-03  3.8060000000e-04  4.8520000000e-04 -1.3881000000e-03 -4.4848000000e-03 -3.2706000000e-03  1.0890000000e-03  1.8018000000e-03  2.7901000000e-03  2.7280000000e-04  2.6893000000e-03
+
+JOB 84
+COORDS -3.0919840000e+00 -2.7036810000e+00  2.7829890000e+00 -2.4295450000e+00 -2.4386230000e+00  2.1449050000e+00 -3.0745240000e+00 -2.0147570000e+00  3.4473010000e+00  3.0136930000e+00  2.6353060000e+00 -2.7422080000e+00  3.6091430000e+00  2.0643840000e+00 -3.2277180000e+00  3.2023250000e+00  3.5141760000e+00 -3.0712020000e+00
+ENERGY -1.526542334039e+02
+FORCES  2.8178000000e-03  3.9599000000e-03  4.4500000000e-05 -2.7272000000e-03 -1.1432000000e-03  2.6320000000e-03 -1.0340000000e-04 -2.8322000000e-03 -2.6590000000e-03  3.2270000000e-03  1.2911000000e-03 -3.3808000000e-03 -2.4413000000e-03  2.3147000000e-03  2.0058000000e-03 -7.7290000000e-04 -3.5903000000e-03  1.3575000000e-03
+
+JOB 85
+COORDS -2.8268520000e+00 -1.8016890000e+00 -3.9472470000e+00 -2.5519810000e+00 -1.9028470000e+00 -3.0359600000e+00 -2.1069120000e+00 -1.3280710000e+00 -4.3639060000e+00  2.8160630000e+00  1.8047040000e+00  3.8753730000e+00  1.9436400000e+00  1.4647130000e+00  3.6765870000e+00  2.8937790000e+00  1.7250740000e+00  4.8260830000e+00
+ENERGY -1.526540749010e+02
+FORCES  4.0940000000e-03  1.5225000000e-03  1.9649000000e-03 -1.1451000000e-03  4.1480000000e-04 -3.6745000000e-03 -2.9573000000e-03 -1.9380000000e-03  1.7180000000e-03 -3.2103000000e-03 -1.6634000000e-03  3.1605000000e-03  3.5485000000e-03  1.3537000000e-03  7.3400000000e-04 -3.2980000000e-04  3.1040000000e-04 -3.9029000000e-03
+
+JOB 86
+COORDS -4.7561710000e+00  1.0223940000e+00 -2.0525040000e+00 -5.0485370000e+00  9.3802700000e-01 -1.1449600000e+00 -4.3512550000e+00  1.8887080000e+00 -2.0946430000e+00  4.7082230000e+00 -1.1204360000e+00  1.9916450000e+00  4.4912230000e+00 -1.9154900000e-01  1.9121910000e+00  5.6226160000e+00 -1.1299260000e+00  2.2745350000e+00
+ENERGY -1.526540222725e+02
+FORCES  4.8670000000e-04  3.1326000000e-03  3.5483000000e-03  1.1756000000e-03  3.7800000000e-04 -3.7102000000e-03 -1.6548000000e-03 -3.5097000000e-03  1.6740000000e-04  2.8653000000e-03  3.7208000000e-03  7.9340000000e-04  8.6650000000e-04 -3.7716000000e-03  3.4480000000e-04 -3.7392000000e-03  4.9900000000e-05 -1.1438000000e-03
+
+JOB 87
+COORDS -3.2333740000e+00 -3.7960330000e+00 -7.0142230000e+00 -2.8848280000e+00 -3.6630740000e+00 -7.8957380000e+00 -2.6359660000e+00 -3.3116830000e+00 -6.4443640000e+00  3.2247930000e+00  3.8054200000e+00  7.0230480000e+00  2.3836420000e+00  3.8897820000e+00  7.4720240000e+00  3.2328230000e+00  2.9060670000e+00  6.6954340000e+00
+ENERGY -1.526540809400e+02
+FORCES  3.8586000000e-03  2.5205000000e-03 -1.2865000000e-03 -1.4213000000e-03 -5.4330000000e-04  3.6005000000e-03 -2.4382000000e-03 -1.9781000000e-03 -2.3137000000e-03 -3.4009000000e-03 -3.3243000000e-03  5.1180000000e-04  3.4324000000e-03 -3.4420000000e-04 -1.8379000000e-03 -3.0700000000e-05  3.6695000000e-03  1.3258000000e-03
+
+JOB 88
+COORDS  8.4346720000e+00  2.5750470000e+00  2.9501120000e+00  8.4400260000e+00  3.3340350000e+00  2.3668960000e+00  7.5307630000e+00  2.2609720000e+00  2.9269590000e+00 -8.4071000000e+00 -2.5302440000e+00 -2.9272830000e+00 -8.9487070000e+00 -3.3084520000e+00 -3.0587560000e+00 -7.5441760000e+00 -2.8745380000e+00 -2.6969470000e+00
+ENERGY -1.526540796067e+02
+FORCES -3.6657000000e-03  1.8256000000e-03 -2.4714000000e-03 -2.1100000000e-05 -3.1002000000e-03  2.3780000000e-03  3.6874000000e-03  1.2737000000e-03  9.3600000000e-05  1.2973000000e-03 -4.5875000000e-03  4.0030000000e-04  2.2142000000e-03  3.1764000000e-03  5.3720000000e-04 -3.5120000000e-03  1.4120000000e-03 -9.3770000000e-04
+
+JOB 89
+COORDS -6.5939510000e+00 -7.3886990000e+00 -2.3414100000e+00 -7.2942480000e+00 -6.8973640000e+00 -2.7708350000e+00 -5.8419920000e+00 -6.7965860000e+00 -2.3552720000e+00  6.5680280000e+00  7.3556110000e+00  2.4219610000e+00  7.0848310000e+00  6.5534060000e+00  2.3470290000e+00  6.4846470000e+00  7.6722660000e+00  1.5225120000e+00
+ENERGY -1.526540706499e+02
+FORCES  2.0450000000e-04  4.4209000000e-03 -1.8017000000e-03  2.8597000000e-03 -2.0046000000e-03  1.7486000000e-03 -3.0637000000e-03 -2.4162000000e-03  5.2700000000e-05  1.7791000000e-03 -1.9756000000e-03 -3.9687000000e-03 -2.1140000000e-03  3.2707000000e-03  3.0200000000e-04  3.3430000000e-04 -1.2951000000e-03  3.6670000000e-03
+
+JOB 0
+COORDS -5.7550700000e-01 -1.7848700000e-01  1.1639570000e+00 -6.0480000000e-02 -2.6432300000e-01  1.9662100000e+00  4.3461000000e-02  1.5870000000e-01  5.1633300000e-01  5.4383700000e-01  1.5240900000e-01 -1.1200210000e+00 -3.3686000000e-01 -1.3741500000e-01 -1.3579410000e+00  8.3793800000e-01  6.6785400000e-01 -1.8710560000e+00
+ENERGY -1.526585990033e+02
+FORCES  9.7609000000e-03  2.8977000000e-03 -1.1468800000e-02  2.2870000000e-04  1.1635000000e-03 -3.4519000000e-03 -7.0340000000e-03 -3.6145000000e-03  3.5087000000e-03 -5.9766000000e-03 -6.9470000000e-04  6.8014000000e-03  5.7868000000e-03  3.7508000000e-03  1.9858000000e-03 -2.7658000000e-03 -3.5028000000e-03  2.6248000000e-03
+
+JOB 1
+COORDS -4.2420900000e-01 -5.9086000000e-01 -1.0025440000e+00 -1.1493690000e+00 -2.3280500000e-01 -1.5145710000e+00 -4.1450400000e-01 -1.5230870000e+00 -1.2195470000e+00  4.2577400000e-01  6.7619100000e-01  1.0501660000e+00  3.0075800000e-01 -6.7073000000e-02  4.6011400000e-01  1.2294450000e+00  4.7086100000e-01  1.5278510000e+00
+ENERGY -1.526563523691e+02
+FORCES -1.4500000000e-04  8.7546000000e-03  7.7049000000e-03  3.3083000000e-03 -4.2703000000e-03  6.0690000000e-04  4.2230000000e-04  5.0804000000e-03  2.2391000000e-03 -5.4997000000e-03 -7.7689000000e-03 -1.3855900000e-02  4.6578000000e-03  2.4120000000e-04  6.9711000000e-03 -2.7438000000e-03 -2.0371000000e-03 -3.6661000000e-03
+
+JOB 2
+COORDS -9.3485200000e-01  1.0101320000e+00 -1.2309300000e-01 -3.2024000000e-02  8.2539000000e-01 -3.8194400000e-01 -1.3514060000e+00  1.4969800000e-01 -7.4427000000e-02  8.7385500000e-01 -9.6803900000e-01  8.3468000000e-02  5.0175000000e-01 -7.8237700000e-01  9.4561600000e-01  1.8041030000e+00 -7.6147600000e-01  1.7403700000e-01
+ENERGY -1.526553228650e+02
+FORCES  9.3154000000e-03 -1.3557100000e-02 -3.8685000000e-03 -8.3710000000e-04  5.8314000000e-03  2.5074000000e-03 -2.2920000000e-04  2.4043000000e-03  3.3677000000e-03 -3.1953000000e-03  4.2986000000e-03  4.7195000000e-03  5.3410000000e-04 -5.9590000000e-04 -5.7427000000e-03 -5.5880000000e-03  1.6187000000e-03 -9.8340000000e-04
+
+JOB 3
+COORDS  2.8721300000e-01 -4.8121800000e-01  1.1459850000e+00  1.2029070000e+00 -4.0561200000e-01  1.4143520000e+00  9.1527000000e-02 -1.4152070000e+00  1.2208390000e+00 -2.7541200000e-01  5.5315000000e-01 -1.2055370000e+00 -1.2028690000e+00  4.8137300000e-01 -1.4311550000e+00 -2.2244200000e-01  2.3559900000e-01 -3.0410000000e-01
+ENERGY -1.526592282059e+02
+FORCES  1.7688000000e-03  1.4437000000e-03 -9.4442000000e-03 -4.8362000000e-03 -2.0151000000e-03 -5.6870000000e-04  1.3316000000e-03  4.8454000000e-03 -2.0930000000e-04  2.7304000000e-03 -6.2033000000e-03  1.6141800000e-02  2.6193000000e-03 -1.4596000000e-03  2.6323000000e-03 -3.6138000000e-03  3.3889000000e-03 -8.5519000000e-03
+
+JOB 4
+COORDS -5.4901200000e-01  4.6678500000e-01  1.0331100000e+00 -4.0167400000e-01 -1.5955500000e-01  1.7417860000e+00 -9.6165100000e-01  1.2182300000e+00  1.4588920000e+00  5.3030300000e-01 -5.0960900000e-01 -1.1396200000e+00  2.4894900000e-01 -6.4763000000e-02 -3.4013000000e-01  1.4550370000e+00 -2.7939200000e-01 -1.2296140000e+00
+ENERGY -1.526586430496e+02
+FORCES  2.7892000000e-03 -2.1225000000e-03 -7.2845000000e-03 -4.1420000000e-04  4.4113000000e-03 -3.5304000000e-03  1.8919000000e-03 -4.9121000000e-03  2.0490000000e-04 -5.9396000000e-03  8.2283000000e-03  1.2481500000e-02  4.6297000000e-03 -5.7205000000e-03 -3.8404000000e-03 -2.9570000000e-03  1.1540000000e-04  1.9689000000e-03
+
+JOB 5
+COORDS  1.3477000000e-02 -1.1540050000e+00  6.3372100000e-01  7.7810200000e-01 -1.3144030000e+00  8.0682000000e-02 -6.7122800000e-01 -1.7115040000e+00  2.6411800000e-01  1.4799000000e-02  1.2321250000e+00 -6.2867400000e-01 -1.2622800000e-01  1.5236080000e+00  2.7209200000e-01 -3.9458200000e-01  3.6778400000e-01 -6.6809500000e-01
+ENERGY -1.526542512389e+02
+FORCES  4.4385000000e-03  2.6568000000e-03 -3.8343000000e-03 -5.7022000000e-03  7.2210000000e-04  1.5823000000e-03  2.9490000000e-03  6.6451000000e-03 -7.0740000000e-04 -2.1741000000e-03 -1.2507000000e-02  1.2619500000e-02  6.5520000000e-04  2.2665000000e-03 -3.2186000000e-03 -1.6640000000e-04  2.1650000000e-04 -6.4415000000e-03
+
+JOB 6
+COORDS  6.1068200000e-01 -2.6280500000e-01  1.1386710000e+00  1.5027500000e-01 -1.0999340000e+00  1.1976030000e+00  2.8330200000e-01  2.4397200000e-01  1.8817930000e+00 -5.3805700000e-01  2.9035300000e-01 -1.2575800000e+00 -1.4424600000e+00  1.9605100000e-01 -9.5859000000e-01 -1.3813000000e-02  2.3072300000e-01 -4.5892900000e-01
+ENERGY -1.526587711696e+02
+FORCES -4.4978000000e-03 -6.7590000000e-04 -1.2713000000e-03  9.4480000000e-04  6.1084000000e-03 -1.0524000000e-03  4.1510000000e-04 -3.3092000000e-03 -4.5267000000e-03  5.5667000000e-03 -1.6607000000e-03  1.5302500000e-02  2.6557000000e-03 -5.1890000000e-04  6.1200000000e-05 -5.0845000000e-03  5.6400000000e-05 -8.5133000000e-03
+
+JOB 7
+COORDS  3.4672300000e-01  1.2133780000e+00  3.7392400000e-01 -3.6244600000e-01  1.8109630000e+00  1.3684900000e-01  2.9785000000e-01  1.1493690000e+00  1.3277300000e+00 -3.6266100000e-01 -1.2512240000e+00 -4.2779300000e-01  8.2992000000e-02 -5.1399800000e-01 -1.0513000000e-02  3.4346400000e-01 -1.8440100000e+00 -6.8513700000e-01
+ENERGY -1.526592314959e+02
+FORCES -6.6377000000e-03 -1.6314000000e-03 -2.5017000000e-03  4.0977000000e-03 -1.9176000000e-03  2.8009000000e-03 -3.1530000000e-04 -2.5742000000e-03 -6.1752000000e-03  5.6419000000e-03  1.3369300000e-02  2.6745000000e-03 -1.7134000000e-03 -1.0661000000e-02  1.5609000000e-03 -1.0732000000e-03  3.4148000000e-03  1.6406000000e-03
+
+JOB 8
+COORDS -5.5895000000e-01 -8.4807200000e-01  8.6686600000e-01 -9.5341700000e-01  5.6440000000e-03  1.0451810000e+00 -1.3042510000e+00 -1.4385150000e+00  7.5670800000e-01  6.8140300000e-01  8.5480600000e-01 -9.0139700000e-01  5.9889400000e-01  6.5729000000e-02 -3.6587700000e-01 -1.9309200000e-01  1.2439050000e+00 -8.9176200000e-01
+ENERGY -1.526565306380e+02
+FORCES -2.5033000000e-03  2.6144000000e-03 -2.4066000000e-03  2.6335000000e-03 -3.5035000000e-03 -4.1698000000e-03  2.8271000000e-03  4.1796000000e-03  7.4680000000e-04 -7.5372000000e-03 -9.7683000000e-03  6.2857000000e-03  2.9044000000e-03  6.7941000000e-03 -2.2233000000e-03  1.6756000000e-03 -3.1630000000e-04  1.7672000000e-03
+
+JOB 9
+COORDS -9.9193500000e-01 -2.2523500000e-01 -8.7859800000e-01 -1.6238130000e+00 -7.3705000000e-02 -1.7574500000e-01 -1.0677500000e+00  5.4637100000e-01 -1.4399430000e+00  1.0648520000e+00  2.2601600000e-01  8.3990400000e-01  1.1665650000e+00 -1.3145700000e-01  1.7220040000e+00  3.8127900000e-01 -3.1185400000e-01  4.4033300000e-01
+ENERGY -1.526576126330e+02
+FORCES  2.6135000000e-03  8.3749000000e-03  1.4157000000e-03  5.8098000000e-03 -1.9163000000e-03 -1.5224000000e-03 -1.7379000000e-03 -3.9609000000e-03  2.1729000000e-03 -6.7584000000e-03 -3.7305000000e-03 -7.7736000000e-03 -3.1348000000e-03  4.9570000000e-04 -3.9763000000e-03  3.2078000000e-03  7.3720000000e-04  9.6837000000e-03
+
+JOB 10
+COORDS  4.5769400000e-01 -9.5573900000e-01 -8.3704500000e-01  1.4069260000e+00 -8.4652700000e-01 -8.9416700000e-01  3.2698200000e-01 -1.5272810000e+00 -8.0417000000e-02 -5.7300100000e-01  1.0064080000e+00  8.2023300000e-01  2.2303500000e-01  1.5238650000e+00  6.9859400000e-01 -3.5422300000e-01  1.4332300000e-01  4.6887500000e-01
+ENERGY -1.526532736072e+02
+FORCES  3.3456000000e-03  1.5049000000e-03  2.6778000000e-03 -5.2138000000e-03  4.1100000000e-05  8.8430000000e-04 -1.9315000000e-03  9.8296000000e-03 -1.3708000000e-03  8.1249000000e-03 -6.8539000000e-03 -1.2003100000e-02 -1.9443000000e-03 -7.8070000000e-04  1.3604000000e-03 -2.3809000000e-03 -3.7410000000e-03  8.4513000000e-03
+
+JOB 11
+COORDS -6.7136700000e-01  1.2277810000e+00 -1.4295500000e-01 -4.8420000000e-03  5.4144400000e-01 -1.7323100000e-01 -6.6498200000e-01  1.6074400000e+00 -1.0216190000e+00  6.0642800000e-01 -1.1934730000e+00  1.4085900000e-01  1.7181200000e-01 -1.4590240000e+00  9.5130500000e-01  1.5409520000e+00 -1.2486150000e+00  3.4050200000e-01
+ENERGY -1.526608448786e+02
+FORCES  6.1509000000e-03 -1.0736900000e-02 -1.6626000000e-03 -3.6216000000e-03  1.0235200000e-02 -2.0010000000e-04  1.1447000000e-03 -2.1275000000e-03  2.4573000000e-03 -2.2190000000e-03 -2.3650000000e-04  4.4328000000e-03  3.6993000000e-03  1.2615000000e-03 -4.0949000000e-03 -5.1542000000e-03  1.6041000000e-03 -9.3260000000e-04
+
+JOB 12
+COORDS -7.1622400000e-01  1.2463750000e+00  9.2846000000e-02 -7.8534000000e-02  1.5011420000e+00  7.5968700000e-01 -3.0442400000e-01  5.1393000000e-01 -3.6560500000e-01  6.3645400000e-01 -1.1555520000e+00 -1.1093400000e-01  1.4051210000e+00 -1.4624640000e+00  3.6988500000e-01  2.2419900000e-01 -1.9544640000e+00 -4.3959300000e-01
+ENERGY -1.526580746454e+02
+FORCES  9.1661000000e-03 -1.1113500000e-02  1.7254000000e-03 -1.8641000000e-03  7.5930000000e-04 -1.1924000000e-03 -4.6467000000e-03  4.9920000000e-03 -2.5603000000e-03 -1.1736000000e-03  8.8490000000e-04  2.4827000000e-03 -3.9129000000e-03  5.2450000000e-04 -2.0057000000e-03  2.4313000000e-03  3.9528000000e-03  1.5502000000e-03
+
+JOB 13
+COORDS  6.6639300000e-01  9.1929100000e-01 -7.4770700000e-01  1.5641320000e+00  9.7816800000e-01 -4.2085900000e-01  7.5309600000e-01  5.3259200000e-01 -1.6190150000e+00 -7.3430300000e-01 -8.5128600000e-01  8.2532200000e-01 -1.0471080000e+00 -1.7538660000e+00  7.6421100000e-01 -1.3884100000e-01 -7.5284000000e-01  8.2379000000e-02
+ENERGY -1.526554851119e+02
+FORCES  2.5588000000e-03  1.9856000000e-03  2.1230000000e-04 -4.9371000000e-03 -1.5842000000e-03 -1.9252000000e-03 -1.5580000000e-03 -1.2685000000e-03  6.6080000000e-03  4.4436000000e-03  5.0428000000e-03 -5.8152000000e-03  2.2901000000e-03  4.1475000000e-03 -1.7894000000e-03 -2.7975000000e-03 -8.3231000000e-03  2.7095000000e-03
+
+JOB 14
+COORDS -1.0406490000e+00  8.9618300000e-01  3.2868500000e-01 -4.2645300000e-01  3.4772400000e-01 -1.5936000000e-01 -1.7139250000e+00  1.1297120000e+00 -3.1037300000e-01  1.0435290000e+00 -8.1940700000e-01 -2.9184000000e-01  1.1874040000e+00 -1.6346340000e+00 -7.7239900000e-01  9.5641300000e-01 -1.0915260000e+00  6.2172200000e-01
+ENERGY -1.526611217536e+02
+FORCES  6.7129000000e-03 -5.4650000000e-03 -6.0725000000e-03 -7.5084000000e-03  5.1277000000e-03  5.2157000000e-03  2.7896000000e-03 -1.6474000000e-03  1.0428000000e-03 -1.0461000000e-03 -2.7984000000e-03  2.8950000000e-03 -5.9620000000e-04  3.4425000000e-03  3.0406000000e-03 -3.5180000000e-04  1.3406000000e-03 -6.1216000000e-03
+
+JOB 15
+COORDS  5.5153600000e-01 -4.1815900000e-01 -1.1514090000e+00  7.0452800000e-01 -1.2480570000e+00 -1.6031770000e+00  4.1622600000e-01  2.1666200000e-01 -1.8549170000e+00 -6.1549300000e-01  4.3900400000e-01  1.2090840000e+00 -1.1756000000e-02  8.5172000000e-01  1.8266580000e+00 -6.8107000000e-02 -1.6185000000e-01  7.0353900000e-01
+ENERGY -1.526594048096e+02
+FORCES -3.1581000000e-03  3.8899000000e-03 -1.9977000000e-03 -1.0631000000e-03  4.0578000000e-03  2.3211000000e-03  1.9279000000e-03 -4.3114000000e-03  1.3959000000e-03  6.4580000000e-03 -3.2986000000e-03 -7.3700000000e-03 -1.3697000000e-03 -1.3878000000e-03 -2.8253000000e-03 -2.7951000000e-03  1.0501000000e-03  8.4760000000e-03
+
+JOB 16
+COORDS  6.5762200000e-01  1.2478040000e+00 -3.8858800000e-01 -2.5764000000e-02  5.7766700000e-01 -3.7709700000e-01  8.6962900000e-01  1.3902140000e+00  5.3391100000e-01 -5.7431100000e-01 -1.1817900000e+00  3.1415400000e-01 -8.6055700000e-01 -2.0405750000e+00  3.0510000000e-03 -1.2426860000e+00 -9.2107300000e-01  9.4782000000e-01
+ENERGY -1.526581322649e+02
+FORCES -3.1621000000e-03 -1.0991200000e-02  4.6658000000e-03  3.4930000000e-04  8.3529000000e-03 -4.7260000000e-04 -1.1449000000e-03  5.0420000000e-04 -2.4009000000e-03 -1.0673000000e-03 -2.3719000000e-03 -1.5270000000e-04  8.6660000000e-04  4.1028000000e-03  2.5586000000e-03  4.1585000000e-03  4.0310000000e-04 -4.1982000000e-03
+
+JOB 17
+COORDS  1.0494730000e+00 -2.9112000000e-02 -1.0312800000e+00  1.6168660000e+00 -2.6399000000e-02 -2.6037800000e-01  1.6621500000e-01  8.2174000000e-02 -6.7956600000e-01 -9.7006300000e-01  2.0276000000e-02  9.5451900000e-01 -1.6447240000e+00 -6.1977400000e-01  7.2780300000e-01 -1.4362570000e+00  6.9644300000e-01  1.4461410000e+00
+ENERGY -1.526598340272e+02
+FORCES -6.4606000000e-03  1.1535000000e-03  1.1659800000e-02  5.5550000000e-04  6.8500000000e-05 -3.1520000000e-03  2.5766000000e-03 -1.8320000000e-03 -7.3644000000e-03 -2.3299000000e-03  2.9910000000e-04  1.0453000000e-03  3.7196000000e-03  4.3035000000e-03 -3.5200000000e-05  1.9389000000e-03 -3.9927000000e-03 -2.1536000000e-03
+
+JOB 18
+COORDS -1.0295270000e+00 -3.8207700000e-01  9.1716300000e-01 -1.2483880000e+00  5.4766800000e-01  8.5465100000e-01 -2.9541100000e-01 -4.1510100000e-01  1.5305260000e+00  9.9251100000e-01  3.5987400000e-01 -1.0004460000e+00  3.0791900000e-01 -6.0577000000e-02 -4.8007600000e-01  1.8070110000e+00  1.3921400000e-01 -5.4863800000e-01
+ENERGY -1.526586163730e+02
+FORCES  4.4260000000e-04  5.3045000000e-03  4.3271000000e-03  2.6636000000e-03 -5.8892000000e-03 -1.0583000000e-03 -1.6993000000e-03  9.1700000000e-05 -6.3120000000e-03 -5.6957000000e-03 -6.1113000000e-03  6.3401000000e-03  7.9390000000e-03  5.8540000000e-03 -3.2724000000e-03 -3.6502000000e-03  7.5030000000e-04 -2.4600000000e-05
+
+JOB 19
+COORDS -1.3014410000e+00 -3.8188000000e-01  1.5910700000e-01 -1.5990620000e+00 -7.1972800000e-01  1.0038030000e+00 -1.6874460000e+00 -9.7451900000e-01 -4.8588300000e-01  1.3905590000e+00  3.9569400000e-01 -1.4690400000e-01  1.4549590000e+00  1.3087250000e+00 -4.2700900000e-01  4.6579100000e-01  1.7516100000e-01 -2.5826600000e-01
+ENERGY -1.526612047481e+02
+FORCES  5.2490000000e-04 -2.7946000000e-03  3.5246000000e-03 -4.1520000000e-04  7.9420000000e-04 -4.8368000000e-03  2.4572000000e-03  2.8965000000e-03  3.3527000000e-03 -1.0860000000e-02 -6.2570000000e-04  8.5630000000e-04 -1.0769000000e-03 -2.8768000000e-03  7.8760000000e-04  9.3700000000e-03  2.6063000000e-03 -3.6843000000e-03
+
+JOB 20
+COORDS -1.2643970000e+00 -4.3885200000e-01  3.1935700000e-01 -1.3988700000e+00  2.7561800000e-01  9.4199700000e-01 -2.1212730000e+00 -5.6705300000e-01 -8.7534000000e-02  1.3579030000e+00  4.3743500000e-01 -2.7714400000e-01  5.8740400000e-01 -1.2667500000e-01 -2.1124900000e-01  1.5507450000e+00  4.7181100000e-01 -1.2140870000e+00
+ENERGY -1.526609537685e+02
+FORCES -1.6743000000e-03  3.9893000000e-03  1.8040000000e-04 -3.0550000000e-04 -4.1781000000e-03 -3.3453000000e-03  3.2788000000e-03  1.4533000000e-03  2.4330000000e-03 -8.9690000000e-03 -4.4657000000e-03 -1.8186000000e-03  8.8313000000e-03  3.5445000000e-03 -1.4990000000e-04 -1.1614000000e-03 -3.4330000000e-04  2.7003000000e-03
+
+JOB 21
+COORDS  1.6223700000e-01  5.1897100000e-01  1.3554180000e+00  8.9368900000e-01  8.5971000000e-02  1.7955540000e+00  1.9038600000e-01  1.8548000000e-01  4.5863300000e-01 -1.9417900000e-01 -4.5966400000e-01 -1.2643410000e+00 -8.6779500000e-01 -1.1867000000e-01 -1.8527260000e+00  2.9923900000e-01 -1.0815100000e+00 -1.7992030000e+00
+ENERGY -1.526609578171e+02
+FORCES  3.9840000000e-04 -5.0648000000e-03 -9.2843000000e-03 -1.9450000000e-03  7.1050000000e-04 -2.2228000000e-03  1.9367000000e-03  3.4210000000e-03  9.0145000000e-03 -1.3287000000e-03  7.1630000000e-04 -7.4690000000e-04  3.7682000000e-03 -2.7700000000e-03  1.3812000000e-03 -2.8296000000e-03  2.9870000000e-03  1.8582000000e-03
+
+JOB 22
+COORDS -7.7665000000e-01  6.6905100000e-01 -9.3992300000e-01 -1.1541100000e-01  4.0323600000e-01 -1.5789360000e+00 -9.4560200000e-01  1.5900810000e+00 -1.1383930000e+00  7.9525900000e-01 -7.4543500000e-01  9.6163700000e-01  8.5223500000e-01 -2.3909000000e-01  1.7719460000e+00 -7.8822000000e-02 -5.5543800000e-01  6.2088000000e-01
+ENERGY -1.526590035238e+02
+FORCES  5.3769000000e-03  1.9795000000e-03 -1.2524000000e-03 -4.3706000000e-03  1.4822000000e-03  2.2705000000e-03  1.4034000000e-03 -3.7175000000e-03  2.7490000000e-04 -6.9820000000e-03  7.2616000000e-03 -2.3026000000e-03 -8.7500000000e-05 -1.5332000000e-03 -2.4366000000e-03  4.6597000000e-03 -5.4725000000e-03  3.4463000000e-03
+
+JOB 23
+COORDS  6.0395300000e-01  7.6919100000e-01 -9.6748300000e-01  1.4571200000e+00  9.6768400000e-01 -1.3534080000e+00  1.8364600000e-01  1.6227340000e+00 -8.6242200000e-01 -6.3983800000e-01 -9.0011800000e-01  1.0137280000e+00 -1.1175070000e+00 -7.9464000000e-02  1.1345170000e+00  6.0100000000e-02 -6.8204600000e-01  3.9829000000e-01
+ENERGY -1.526586952355e+02
+FORCES -5.1400000000e-05  3.6701000000e-03 -6.3800000000e-05 -4.2577000000e-03 -6.7860000000e-04  2.0340000000e-03  2.0987000000e-03 -3.9770000000e-03 -1.3880000000e-04  4.0724000000e-03  8.2883000000e-03 -7.6215000000e-03  2.4650000000e-04 -1.9053000000e-03  4.7030000000e-04 -2.1086000000e-03 -5.3975000000e-03  5.3197000000e-03
+
+JOB 24
+COORDS  6.1382200000e-01  1.0105100000e+00 -8.6733100000e-01  4.1171200000e-01  2.1709800000e-01 -3.7146800000e-01  1.4993380000e+00  8.6603900000e-01 -1.2008300000e+00 -6.1120200000e-01 -9.1762400000e-01  8.0627200000e-01 -9.1949100000e-01 -5.9049700000e-01  1.6513620000e+00 -9.5810100000e-01 -1.8081370000e+00  7.5260900000e-01
+ENERGY -1.526612197787e+02
+FORCES -2.0642000000e-03 -7.4101000000e-03  4.6714000000e-03  5.3409000000e-03  6.6441000000e-03 -5.4430000000e-03 -3.0619000000e-03 -6.8650000000e-04  1.5275000000e-03 -2.2757000000e-03  5.4200000000e-04  1.3551000000e-03  8.6180000000e-04 -3.1266000000e-03 -3.5636000000e-03  1.1992000000e-03  4.0370000000e-03  1.4527000000e-03
+
+JOB 25
+COORDS  6.6303800000e-01 -1.2734620000e+00 -4.5228500000e-01 -1.8612700000e-01 -1.3008670000e+00 -8.9319300000e-01  6.8335700000e-01 -4.1786700000e-01 -2.3593000000e-02 -5.6926500000e-01  1.2483230000e+00  4.8964200000e-01 -6.6901600000e-01  1.3155070000e+00 -4.5997300000e-01 -1.2828060000e+00  6.7314900000e-01  7.6580600000e-01
+ENERGY -1.526567533960e+02
+FORCES -4.3910000000e-03  8.1289000000e-03  3.1422000000e-03  1.9459000000e-03  8.7730000000e-04  1.3615000000e-03  1.5583000000e-03 -6.5538000000e-03 -4.5999000000e-03 -5.4691000000e-03 -1.1107000000e-03 -2.1139000000e-03  1.9214000000e-03 -3.2693000000e-03  4.8741000000e-03  4.4346000000e-03  1.9277000000e-03 -2.6640000000e-03
+
+JOB 26
+COORDS -2.4754500000e-01  1.3811000000e+00 -5.4809200000e-01  6.3252900000e-01  1.4825900000e+00 -1.8559800000e-01 -3.8065500000e-01  4.3429100000e-01 -5.9354600000e-01  1.9337000000e-01 -1.3130440000e+00  4.6394400000e-01 -3.8352900000e-01 -1.8257180000e+00  1.0301470000e+00  9.1946500000e-01 -1.0549390000e+00  1.0317460000e+00
+ENERGY -1.526584449143e+02
+FORCES  3.4619000000e-03 -1.0217300000e-02  3.6953000000e-03 -1.9513000000e-03  4.3230000000e-04 -3.7700000000e-04 -1.5245000000e-03  7.2033000000e-03 -3.3489000000e-03  1.1160000000e-04  7.4710000000e-04  5.3542000000e-03  3.0845000000e-03  2.3681000000e-03 -2.3428000000e-03 -3.1823000000e-03 -5.3350000000e-04 -2.9808000000e-03
+
+JOB 27
+COORDS -8.4764300000e-01  1.1416000000e+00  4.0878600000e-01 -3.1259600000e-01  5.4997500000e-01 -1.2030400000e-01 -1.6756810000e+00  1.2065220000e+00 -6.6998000000e-02  8.0310400000e-01 -1.1486910000e+00 -3.4041100000e-01  1.6386740000e+00 -1.3253380000e+00  9.1851000000e-02  9.7465400000e-01 -3.8496900000e-01 -8.9134800000e-01
+ENERGY -1.526521820991e+02
+FORCES  8.4600000000e-05 -7.8584000000e-03 -1.7369000000e-03  2.9212000000e-03  6.0074000000e-03 -5.7497000000e-03  3.6700000000e-03 -6.1030000000e-04  1.3546000000e-03  5.5364000000e-03  1.6320000000e-03  2.3352000000e-03 -3.8547000000e-03  2.6200000000e-04 -2.9026000000e-03 -8.3575000000e-03  5.6730000000e-04  6.6994000000e-03
+
+JOB 28
+COORDS -2.0998200000e-01  4.7287300000e-01  1.4419660000e+00 -6.7089000000e-01 -1.4543100000e-01  8.7496000000e-01  5.7723100000e-01  7.0799600000e-01  9.5080000000e-01  1.6589200000e-01 -4.6122000000e-01 -1.3216940000e+00 -1.2677300000e-01  1.3190500000e-01 -2.0136350000e+00  9.5086600000e-01 -8.7709100000e-01 -1.6782020000e+00
+ENERGY -1.526588749182e+02
+FORCES  2.4210000000e-03 -3.9755000000e-03 -1.0882000000e-02 -1.7995000000e-03  1.8155000000e-03  5.3340000000e-03 -3.6850000000e-04  1.6686000000e-03  4.2408000000e-03  1.1773000000e-03  4.3460000000e-04 -3.7897000000e-03  1.8666000000e-03 -2.8158000000e-03  3.3288000000e-03 -3.2969000000e-03  2.8726000000e-03  1.7681000000e-03
+
+JOB 29
+COORDS  8.0412000000e-02  1.4276400000e+00 -1.2727300000e-01 -6.6684600000e-01  1.9748010000e+00 -3.6904300000e-01  2.3456500000e-01  1.6264200000e+00  7.9628300000e-01 -1.0952300000e-01 -1.4969360000e+00  7.8891000000e-02  6.6199100000e-01 -1.9364560000e+00  4.3641100000e-01  1.8868100000e-01 -6.0818100000e-01 -1.1455100000e-01
+ENERGY -1.526607349505e+02
+FORCES -4.9066000000e-03  2.8572000000e-03  2.3083000000e-03  3.8527000000e-03 -1.2867000000e-03  1.9728000000e-03 -3.4670000000e-04 -1.6039000000e-03 -4.6325000000e-03  2.7746000000e-03  7.4021000000e-03 -1.6290000000e-03 -2.3387000000e-03  2.7819000000e-03 -6.7950000000e-04  9.6470000000e-04 -1.0150700000e-02  2.6599000000e-03
+
+JOB 30
+COORDS  1.6255600000e-01 -8.5322000000e-02 -1.4181130000e+00 -2.6208000000e-02  7.3315700000e-01 -1.8771260000e+00  9.6898000000e-01 -4.0632700000e-01 -1.8216820000e+00 -2.0652100000e-01  1.5850000000e-02  1.5021250000e+00 -3.7417800000e-01  1.6834000000e-02  5.5972300000e-01  2.0518000000e-01  8.6281900000e-01  1.6735220000e+00
+ENERGY -1.526598477420e+02
+FORCES  4.4530000000e-03 -2.5600000000e-04 -2.5006000000e-03  1.2574000000e-03 -3.5209000000e-03  3.3577000000e-03 -3.9282000000e-03  2.5296000000e-03  3.3030000000e-04  2.5822000000e-03  1.8107000000e-03 -9.4378000000e-03 -3.0500000000e-03  1.7564000000e-03  8.6574000000e-03 -1.3144000000e-03 -2.3199000000e-03 -4.0690000000e-04
+
+JOB 31
+COORDS  1.2454650000e+00 -6.0687400000e-01 -6.1585200000e-01  2.9865600000e-01 -4.7243700000e-01 -5.7448500000e-01  1.3846570000e+00 -1.4611060000e+00 -2.0701800000e-01 -1.1952150000e+00  5.9027100000e-01  5.5476500000e-01 -5.4170900000e-01  1.2704630000e+00  7.1755700000e-01 -1.9407520000e+00  8.3795400000e-01  1.1016290000e+00
+ENERGY -1.526603803862e+02
+FORCES -6.8854000000e-03 -2.6572000000e-03  3.2313000000e-03  7.6267000000e-03 -6.8900000000e-05 -2.2297000000e-03 -9.0100000000e-05  2.6914000000e-03 -1.5390000000e-03 -1.5400000000e-04  3.5053000000e-03  3.1537000000e-03 -4.4166000000e-03 -3.3256000000e-03 -1.1397000000e-03  3.9195000000e-03 -1.4490000000e-04 -1.4767000000e-03
+
+JOB 32
+COORDS -6.6537000000e-02 -6.4538900000e-01 -1.3038840000e+00  6.9643300000e-01 -1.2165150000e+00 -1.2148730000e+00 -7.5769200000e-01 -1.2182630000e+00 -1.6360770000e+00  7.6012000000e-02  6.6821600000e-01  1.3695040000e+00 -1.8492000000e-01  2.8282700000e-01  5.3307000000e-01  6.8544000000e-02  1.6122560000e+00  1.2115020000e+00
+ENERGY -1.526619499691e+02
+FORCES  1.4482000000e-03 -5.2392000000e-03 -2.2692000000e-03 -4.5556000000e-03  2.5018000000e-03 -6.1300000000e-04  3.6835000000e-03  2.4354000000e-03  1.7174000000e-03 -1.5489000000e-03 -4.1020000000e-04 -8.8804000000e-03  9.9380000000e-04  3.6733000000e-03  9.6002000000e-03 -2.0900000000e-05 -2.9611000000e-03  4.4500000000e-04
+
+JOB 33
+COORDS -7.0912400000e-01 -9.1750500000e-01  9.2842000000e-01 -1.0784200000e-01 -1.6622430000e+00  9.2082000000e-01 -1.3153610000e+00 -1.0911640000e+00  2.0831500000e-01  6.9972800000e-01  9.3227300000e-01 -9.2878800000e-01  2.0724800000e-01  1.0239320000e+00 -1.1313200000e-01  1.4253210000e+00  1.5504780000e+00 -8.4178900000e-01
+ENERGY -1.526584341326e+02
+FORCES  2.3989000000e-03 -4.8219000000e-03 -5.3930000000e-03 -3.2726000000e-03  2.2151000000e-03  9.4630000000e-04  2.1745000000e-03  1.2760000000e-03  3.7267000000e-03 -1.2728000000e-03 -5.0000000000e-06  6.2681000000e-03  2.6074000000e-03  4.2199000000e-03 -6.1366000000e-03 -2.6354000000e-03 -2.8841000000e-03  5.8840000000e-04
+
+JOB 34
+COORDS -6.1967900000e-01 -1.1503460000e+00 -6.6073100000e-01 -5.9145900000e-01 -1.4193930000e+00 -1.5789080000e+00 -1.5007570000e+00 -7.9577300000e-01 -5.4152200000e-01  6.5527000000e-01  1.1764840000e+00  7.6158200000e-01  1.2925370000e+00  1.3134000000e+00  6.0600000000e-02  4.4481000000e-02  5.2998200000e-01  4.0774100000e-01
+ENERGY -1.526583049929e+02
+FORCES -2.5856000000e-03 -1.7930000000e-03 -4.7577000000e-03 -7.0480000000e-04  1.0741000000e-03  4.3785000000e-03  6.6479000000e-03  7.1010000000e-04  4.8520000000e-04 -1.1360000000e-04 -7.6924000000e-03 -7.1469000000e-03 -1.4108000000e-03  8.1230000000e-04  2.4373000000e-03 -1.8330000000e-03  6.8888000000e-03  4.6036000000e-03
+
+JOB 35
+COORDS  1.2477100000e+00  4.1143800000e-01 -7.7760400000e-01  2.0996900000e+00  4.9887700000e-01 -3.5015200000e-01  6.4958800000e-01  1.6435200000e-01 -7.2316000000e-02 -1.2091950000e+00 -4.1074100000e-01  7.5870800000e-01 -1.2056570000e+00 -5.6290500000e-01 -1.8631300000e-01 -2.1011810000e+00 -1.2223900000e-01  9.5199500000e-01
+ENERGY -1.526593481751e+02
+FORCES -3.8910000000e-04 -1.7280000000e-04  7.1039000000e-03 -3.0453000000e-03 -9.3900000000e-05 -1.2360000000e-03  2.8516000000e-03 -1.2348000000e-03 -8.3893000000e-03 -6.0850000000e-03  1.1851000000e-03 -2.2992000000e-03  3.4052000000e-03  2.5535000000e-03  6.1951000000e-03  3.2625000000e-03 -2.2369000000e-03 -1.3745000000e-03
+
+JOB 36
+COORDS  1.1892700000e-01  1.5009140000e+00 -3.4789800000e-01  1.0380210000e+00  1.6641620000e+00 -5.5967100000e-01  7.7034000000e-02  5.6148300000e-01 -1.6915900000e-01 -1.8654100000e-01 -1.3874410000e+00  3.3694100000e-01 -4.7285200000e-01 -2.1875520000e+00 -1.0360400000e-01  4.6826600000e-01 -1.6829440000e+00  9.6950500000e-01
+ENERGY -1.526610748319e+02
+FORCES  1.1608000000e-03 -8.1326000000e-03  5.3650000000e-04 -2.7129000000e-03 -1.0133000000e-03  1.0602000000e-03  2.4478000000e-03  9.9303000000e-03 -1.1517000000e-03 -1.7860000000e-04 -4.9107000000e-03  2.0430000000e-04  2.0125000000e-03  2.7121000000e-03  3.1324000000e-03 -2.7297000000e-03  1.4143000000e-03 -3.7817000000e-03
+
+JOB 37
+COORDS  9.0391600000e-01 -8.6115200000e-01  7.5180600000e-01  1.4871610000e+00 -1.0873230000e+00  1.4763090000e+00  1.4237090000e+00 -1.0254410000e+00 -3.4995000000e-02 -9.7198700000e-01  9.1559200000e-01 -8.1294300000e-01 -2.7126700000e-01  1.0224030000e+00 -1.6965900000e-01 -1.5956920000e+00  3.2369500000e-01 -3.9237000000e-01
+ENERGY -1.526591001290e+02
+FORCES  4.3877000000e-03 -3.2649000000e-03 -1.4649000000e-03 -2.6272000000e-03  1.1642000000e-03 -3.5987000000e-03 -1.6121000000e-03  1.1465000000e-03  4.6776000000e-03  2.3424000000e-03 -5.1919000000e-03  7.7604000000e-03 -2.7998000000e-03  3.3690000000e-03 -4.7424000000e-03  3.0910000000e-04  2.7771000000e-03 -2.6321000000e-03
+
+JOB 38
+COORDS  1.3282990000e+00 -3.0073500000e-01  7.9098800000e-01  4.6459800000e-01  5.6522000000e-02  5.8454100000e-01  1.5289010000e+00 -8.8245700000e-01  5.7783000000e-02 -1.2968340000e+00  2.4928900000e-01 -7.1191700000e-01 -1.2371110000e+00  1.0979850000e+00 -2.7330600000e-01 -1.2824780000e+00  4.6009200000e-01 -1.6455050000e+00
+ENERGY -1.526573511124e+02
+FORCES -7.1077000000e-03 -2.5873000000e-03 -7.1879000000e-03  4.1078000000e-03  3.7956000000e-03  4.9371000000e-03  1.4256000000e-03  1.6261000000e-03  2.6678000000e-03 -1.2617000000e-03  4.3828000000e-03 -4.4049000000e-03  3.1377000000e-03 -6.2163000000e-03 -5.2010000000e-04 -3.0170000000e-04 -1.0009000000e-03  4.5080000000e-03
+
+JOB 39
+COORDS  7.1141500000e-01  1.1346930000e+00 -8.4483600000e-01 -1.3522800000e-01  6.9213500000e-01 -7.8509200000e-01  1.2334120000e+00  5.7724200000e-01 -1.4218960000e+00 -6.6310200000e-01 -1.0473130000e+00  8.1908500000e-01 -1.1213040000e+00 -6.6034000000e-01  1.5650970000e+00 -7.0699600000e-01 -1.9909270000e+00  9.7367300000e-01
+ENERGY -1.526569969891e+02
+FORCES -2.4590000000e-03 -8.3460000000e-03  1.1242000000e-03  2.4345000000e-03  5.6762000000e-03 -2.8860000000e-03 -1.2560000000e-03  2.4821000000e-03  1.2383000000e-03 -5.9950000000e-04 -2.0294000000e-03  4.7893000000e-03  1.4266000000e-03 -1.9706000000e-03 -3.8118000000e-03  4.5350000000e-04  4.1877000000e-03 -4.5410000000e-04
+
+JOB 40
+COORDS  1.3965720000e+00  4.6248200000e-01 -3.8001200000e-01  1.2756320000e+00  1.1855810000e+00  2.3540000000e-01  1.7394390000e+00  8.7629100000e-01 -1.1721210000e+00 -1.4471830000e+00 -5.8068300000e-01  4.1979300000e-01 -1.7649070000e+00  1.7705500000e-01 -7.1242000000e-02 -4.9791300000e-01 -4.6291400000e-01  4.5512300000e-01
+ENERGY -1.526581620878e+02
+FORCES  2.8759000000e-03  4.4849000000e-03 -3.1096000000e-03 -1.5915000000e-03 -4.6197000000e-03 -2.9441000000e-03 -1.2823000000e-03 -9.4160000000e-04  4.0837000000e-03  6.3081000000e-03  3.3290000000e-03 -4.8679000000e-03  2.6900000000e-05 -2.0210000000e-03  2.2470000000e-03 -6.3371000000e-03 -2.3150000000e-04  4.5909000000e-03
+
+JOB 41
+COORDS -4.4300200000e-01  1.4889560000e+00  1.7790100000e-01  2.5960000000e-02  2.0064920000e+00  8.3247200000e-01  1.0897800000e-01  1.5324690000e+00 -6.0290400000e-01  3.2571100000e-01 -1.5443360000e+00 -1.7005700000e-01  1.1516160000e+00 -2.0078960000e+00 -3.1408000000e-02  5.8219200000e-01 -6.3194500000e-01 -3.0419000000e-01
+ENERGY -1.526535851512e+02
+FORCES  1.7592000000e-03  4.7856000000e-03  6.7050000000e-04 -1.9155000000e-03 -2.7014000000e-03 -3.3693000000e-03 -1.0476000000e-03 -4.3204000000e-03  4.7796000000e-03  2.0758000000e-03  4.0661000000e-03  1.6122000000e-03 -3.3117000000e-03  2.5875000000e-03 -2.6770000000e-04  2.4398000000e-03 -4.4174000000e-03 -3.4253000000e-03
+
+JOB 42
+COORDS -1.9770100000e-01 -1.1200970000e+00 -1.1853970000e+00 -7.6195500000e-01 -1.5987520000e+00 -5.7816000000e-01 -1.6466700000e-01 -2.3105300000e-01 -8.3220900000e-01  2.2099600000e-01  1.1310080000e+00  1.0775790000e+00 -3.2284600000e-01  1.0123560000e+00  1.8562900000e+00  9.5813900000e-01  5.3414700000e-01  1.2064530000e+00
+ENERGY -1.526591215268e+02
+FORCES -3.2466000000e-03  4.6680000000e-03  5.1309000000e-03  2.3361000000e-03  8.9650000000e-04 -1.9350000000e-03  1.3223000000e-03 -6.6752000000e-03 -4.3577000000e-03  1.7857000000e-03 -1.3971000000e-03  6.3006000000e-03  2.5630000000e-03 -6.2500000000e-05 -3.6611000000e-03 -4.7606000000e-03  2.5704000000e-03 -1.4777000000e-03
+
+JOB 43
+COORDS  6.5711300000e-01  1.1029890000e+00  1.0725320000e+00 -1.2033400000e-01  7.0124800000e-01  6.8470200000e-01  1.3882240000e+00  7.4830600000e-01  5.6665800000e-01 -6.2945200000e-01 -1.0283330000e+00 -9.6161100000e-01 -9.0750500000e-01 -1.9393180000e+00 -1.0566080000e+00 -8.4202100000e-01 -6.2359400000e-01 -1.8025820000e+00
+ENERGY -1.526593831729e+02
+FORCES -1.3845000000e-03 -6.5940000000e-03 -5.3480000000e-03  2.5203000000e-03  5.5572000000e-03  3.5227000000e-03 -9.8490000000e-04  2.6924000000e-03  2.2996000000e-03 -2.4471000000e-03 -4.0498000000e-03 -4.1716000000e-03  1.2077000000e-03  4.1190000000e-03 -4.8200000000e-04  1.0885000000e-03 -1.7247000000e-03  4.1794000000e-03
+
+JOB 44
+COORDS -1.5183250000e+00  3.8803900000e-01  4.3965900000e-01 -6.2121400000e-01  1.6587100000e-01  6.8878700000e-01 -1.7657770000e+00  1.0933320000e+00  1.0376240000e+00  1.4268570000e+00 -3.7530600000e-01 -5.0735000000e-01  1.6372490000e+00 -1.2991620000e+00 -6.4320600000e-01  2.1562790000e+00 -3.6906000000e-02  1.1939000000e-02
+ENERGY -1.526574146998e+02
+FORCES  5.4632000000e-03  8.2250000000e-04  9.0690000000e-04 -7.3816000000e-03  1.9726000000e-03  3.3697000000e-03  1.5783000000e-03 -2.5367000000e-03 -2.1702000000e-03  5.4883000000e-03 -3.3397000000e-03 -1.7108000000e-03 -6.3770000000e-04  4.4859000000e-03  1.0407000000e-03 -4.5106000000e-03 -1.4045000000e-03 -1.4362000000e-03
+
+JOB 45
+COORDS -1.1179430000e+00  1.1895200000e-01  1.1855870000e+00 -9.5918900000e-01  4.4754200000e-01  2.0704920000e+00 -3.0155800000e-01  2.8999000000e-01  7.1602100000e-01  1.0614360000e+00 -1.8990700000e-01 -1.1591080000e+00  1.3409830000e+00  7.1970100000e-01 -1.0556770000e+00  8.5630600000e-01 -2.7352000000e-01 -2.0903240000e+00
+ENERGY -1.526570105445e+02
+FORCES  5.0438000000e-03 -3.6720000000e-04 -9.2300000000e-04 -4.4000000000e-06 -9.7790000000e-04 -3.7931000000e-03 -4.2946000000e-03  3.6189000000e-03  5.8385000000e-03  3.1020000000e-04  1.3626000000e-03 -7.0034000000e-03 -3.1249000000e-03 -4.3524000000e-03  2.0562000000e-03  2.0699000000e-03  7.1600000000e-04  3.8249000000e-03
+
+JOB 46
+COORDS  6.6837900000e-01 -1.1692140000e+00  9.2113100000e-01  1.6872600000e-01 -1.9678520000e+00  1.0907040000e+00  6.3670000000e-01 -1.0636480000e+00 -2.9702000000e-02 -6.4932100000e-01  1.1971260000e+00 -8.1738600000e-01 -1.2595130000e+00  1.4793940000e+00 -1.4987250000e+00  1.8147600000e-01  1.0721240000e+00 -1.2760620000e+00
+ENERGY -1.526527562966e+02
+FORCES -5.1509000000e-03 -9.1680000000e-04 -3.7265000000e-03  2.2484000000e-03  2.8304000000e-03 -4.2110000000e-04  3.1381000000e-03 -9.1100000000e-04  2.5257000000e-03  9.4320000000e-04  2.6712000000e-03 -4.0580000000e-03  2.5873000000e-03 -1.5932000000e-03  3.4279000000e-03 -3.7661000000e-03 -2.0807000000e-03  2.2520000000e-03
+
+JOB 47
+COORDS  1.4855800000e+00  1.4250400000e-01  5.5703000000e-01  2.3239180000e+00  1.6293300000e-01  1.0185530000e+00  1.2786340000e+00  1.0628180000e+00  3.9446700000e-01 -1.5393330000e+00 -1.3761000000e-01 -5.6408900000e-01 -6.5722800000e-01 -3.9373600000e-01 -8.3338900000e-01 -2.0038740000e+00 -9.6599100000e-01 -4.4484700000e-01
+ENERGY -1.526574067303e+02
+FORCES  2.5574000000e-03  4.4269000000e-03  2.7891000000e-03 -3.6618000000e-03  3.0620000000e-04 -1.5848000000e-03  1.9341000000e-03 -4.5282000000e-03 -3.0860000000e-04  3.7175000000e-03 -5.3530000000e-03  1.1259000000e-03 -5.8766000000e-03  2.1675000000e-03 -1.2759000000e-03  1.3293000000e-03  2.9806000000e-03 -7.4570000000e-04
+
+JOB 48
+COORDS -6.1617000000e-01  1.2940150000e+00  8.9797200000e-01 -6.6216900000e-01  1.0271220000e+00 -2.0115000000e-02  3.1607300000e-01  1.2576280000e+00  1.1120530000e+00  5.6302500000e-01 -1.2181660000e+00 -8.7530600000e-01 -1.3169700000e-01 -1.7059630000e+00 -4.3298600000e-01  1.2842450000e+00 -1.8429520000e+00 -9.5090100000e-01
+ENERGY -1.526580772709e+02
+FORCES  5.8040000000e-03 -2.7035000000e-03 -4.7816000000e-03 -2.6112000000e-03  2.2439000000e-03  4.3045000000e-03 -3.5783000000e-03  1.4076000000e-03  9.1410000000e-04  3.4610000000e-04 -5.6804000000e-03  1.4902000000e-03  3.1718000000e-03  2.2845000000e-03 -2.7110000000e-03 -3.1324000000e-03  2.4478000000e-03  7.8380000000e-04
+
+JOB 49
+COORDS  9.0067500000e-01 -1.0373860000e+00  9.8837000000e-01  1.7866550000e+00 -8.0971200000e-01  7.0652600000e-01  3.8171600000e-01 -2.5435300000e-01  8.0459800000e-01 -8.8431400000e-01  9.7749300000e-01 -9.0905900000e-01 -5.9654600000e-01  8.0727600000e-01 -1.8059690000e+00 -1.7781320000e+00  1.3070890000e+00 -1.0022670000e+00
+ENERGY -1.526590307475e+02
+FORCES -8.3550000000e-04  5.7551000000e-03 -3.1895000000e-03 -2.9153000000e-03 -1.1270000000e-03  6.9870000000e-04  4.7920000000e-03 -5.0374000000e-03  4.2312000000e-03 -3.5645000000e-03  2.6890000000e-04 -5.2368000000e-03 -1.3725000000e-03  1.4798000000e-03  3.7068000000e-03  3.8958000000e-03 -1.3393000000e-03 -2.1030000000e-04
+
+JOB 50
+COORDS -3.6041300000e-01 -1.4199220000e+00 -7.2323000000e-01 -1.2360930000e+00 -1.7183380000e+00 -9.6892100000e-01 -1.7520600000e-01 -1.8715290000e+00  1.0016600000e-01  4.0682300000e-01  1.4850120000e+00  7.4914600000e-01  1.1349990000e+00  1.1023600000e+00  2.5968800000e-01 -3.3554900000e-01  1.4437250000e+00  1.4630900000e-01
+ENERGY -1.526571299485e+02
+FORCES -2.7086000000e-03 -3.9484000000e-03  3.4116000000e-03  3.5248000000e-03  1.7497000000e-03  1.1951000000e-03 -6.6410000000e-04  1.2770000000e-03 -4.1981000000e-03 -8.6710000000e-04 -4.4506000000e-03 -6.6611000000e-03 -1.2586000000e-03  2.5725000000e-03  3.1071000000e-03  1.9737000000e-03  2.7998000000e-03  3.1455000000e-03
+
+JOB 51
+COORDS  6.9698800000e-01 -1.6197460000e+00 -6.3814300000e-01  6.0639600000e-01 -1.9975620000e+00  2.3666000000e-01  1.5313700000e-01 -8.3233900000e-01 -6.1698300000e-01 -6.8092000000e-01  1.5531610000e+00  5.4224400000e-01  2.0177100000e-01  1.7878390000e+00  8.2862700000e-01 -1.2595320000e+00  2.0909560000e+00  1.0828140000e+00
+ENERGY -1.526580129172e+02
+FORCES -4.1804000000e-03  2.6721000000e-03  3.6737000000e-03  9.5590000000e-04  9.9210000000e-04 -3.1830000000e-03  4.2460000000e-03 -5.2063000000e-03 -1.1590000000e-03  2.1270000000e-04  5.1302000000e-03  3.8726000000e-03 -4.1489000000e-03 -1.6141000000e-03 -1.1940000000e-03  2.9146000000e-03 -1.9741000000e-03 -2.0104000000e-03
+
+JOB 52
+COORDS  1.8337040000e+00 -8.0800000000e-01  3.4150000000e-03  1.7222360000e+00  1.3133900000e-01  1.4986900000e-01  9.6010200000e-01 -1.1766400000e+00  1.3440200000e-01 -1.8362580000e+00  8.0300800000e-01  4.8930000000e-03 -1.4208620000e+00 -2.0151000000e-02  2.6196700000e-01 -1.2712870000e+00  1.1518630000e+00 -6.8455500000e-01
+ENERGY -1.526526087799e+02
+FORCES -2.6605000000e-03  2.0480000000e-03  1.9665000000e-03 -2.1240000000e-04 -4.3993000000e-03 -1.3765000000e-03  2.3463000000e-03  2.5002000000e-03 -9.0380000000e-04  2.5986000000e-03 -1.7029000000e-03 -2.5563000000e-03 -1.6110000000e-04  3.2119000000e-03 -9.4230000000e-04 -1.9108000000e-03 -1.6579000000e-03  3.8124000000e-03
+
+JOB 53
+COORDS  1.1026900000e+00  1.5892310000e+00  4.3432300000e-01  4.3601800000e-01  9.2749800000e-01  6.1841400000e-01  1.0642080000e+00  2.1835990000e+00  1.1836420000e+00 -1.0844840000e+00 -1.5863080000e+00 -4.2969700000e-01 -3.7327200000e-01 -2.1417940000e+00 -7.4882600000e-01 -1.3421650000e+00 -1.0656360000e+00 -1.1904430000e+00
+ENERGY -1.526571545576e+02
+FORCES -3.2250000000e-03 -1.0825000000e-03  4.0863000000e-03  3.7998000000e-03  4.7728000000e-03 -8.0220000000e-04  1.4330000000e-04 -2.2617000000e-03 -2.9202000000e-03  1.2497000000e-03 -1.9243000000e-03 -5.6772000000e-03 -3.2035000000e-03  2.4479000000e-03  1.4822000000e-03  1.2357000000e-03 -1.9522000000e-03  3.8311000000e-03
+
+JOB 54
+COORDS -9.9450000000e-01 -1.2162680000e+00  1.2014820000e+00 -1.8444140000e+00 -1.6358720000e+00  1.3349350000e+00 -4.9716500000e-01 -1.4246380000e+00  1.9923500000e+00  1.0649980000e+00  1.2537580000e+00 -1.2035700000e+00  1.1267850000e+00  1.5288570000e+00 -2.1183020000e+00  1.6677500000e-01  9.3694800000e-01 -1.1083930000e+00
+ENERGY -1.526557275724e+02
+FORCES -7.2040000000e-04 -2.9542000000e-03  4.6446000000e-03  3.4794000000e-03  1.8228000000e-03 -7.1400000000e-04 -2.6297000000e-03  5.1220000000e-04 -3.0582000000e-03 -4.0628000000e-03 -1.1516000000e-03 -2.3946000000e-03 -2.4530000000e-04 -1.0551000000e-03  3.5366000000e-03  4.1789000000e-03  2.8260000000e-03 -2.0144000000e-03
+
+JOB 55
+COORDS -1.0218130000e+00  1.7401490000e+00 -3.4029200000e-01 -3.8590300000e-01  2.2916460000e+00 -7.9603400000e-01 -1.8228270000e+00  2.2637960000e+00 -3.2025200000e-01  1.0380140000e+00 -1.7595770000e+00  3.1336300000e-01  8.2886000000e-01 -1.5766340000e+00  1.2293420000e+00  1.1227940000e+00 -2.7121250000e+00  2.7218200000e-01
+ENERGY -1.526536385613e+02
+FORCES -1.2920000000e-04  4.0634000000e-03 -2.4482000000e-03 -2.9047000000e-03 -1.7948000000e-03  2.0384000000e-03  3.2378000000e-03 -2.2927000000e-03  7.3500000000e-05 -1.4140000000e-03 -2.3826000000e-03  3.7223000000e-03  1.5138000000e-03 -1.4454000000e-03 -3.4398000000e-03 -3.0370000000e-04  3.8520000000e-03  5.3800000000e-05
+
+JOB 56
+COORDS  3.8230500000e-01  2.0719410000e+00 -3.8968400000e-01  1.2042090000e+00  2.1377110000e+00 -8.7587300000e-01  3.7934900000e-01  1.1797780000e+00 -4.2887000000e-02 -4.6539000000e-01 -2.0326410000e+00  4.6686300000e-01  4.0881900000e-01 -2.3538620000e+00  2.4593900000e-01 -7.8744200000e-01 -1.6369570000e+00 -3.4304400000e-01
+ENERGY -1.526548087115e+02
+FORCES  3.4128000000e-03 -3.0200000000e-03  5.5580000000e-04 -3.4456000000e-03 -5.6000000000e-04  1.8275000000e-03  1.5550000000e-04  4.1328000000e-03 -3.0384000000e-03  1.0810000000e-03 -1.9395000000e-03 -4.3206000000e-03 -3.5886000000e-03  2.2442000000e-03  9.4660000000e-04  2.3849000000e-03 -8.5750000000e-04  4.0291000000e-03
+
+JOB 57
+COORDS  1.1672370000e+00  1.3875900000e-01 -1.7353510000e+00  1.9752070000e+00 -3.6673300000e-01 -1.8242080000e+00  4.8780100000e-01 -4.2882700000e-01 -2.0992810000e+00 -1.1587790000e+00 -9.0450000000e-02  1.8254660000e+00 -1.6945870000e+00 -6.1114100000e-01  1.2271170000e+00 -9.0223800000e-01  6.7601000000e-01  1.3126720000e+00
+ENERGY -1.526549163675e+02
+FORCES  1.5959000000e-03 -4.7967000000e-03 -1.9940000000e-03 -3.4316000000e-03  2.1091000000e-03  1.5000000000e-06  2.2673000000e-03  2.5498000000e-03  1.8700000000e-03 -1.3200000000e-04  1.4759000000e-03 -5.1084000000e-03  1.8400000000e-03  1.7150000000e-03  2.3336000000e-03 -2.1396000000e-03 -3.0532000000e-03  2.8972000000e-03
+
+JOB 58
+COORDS -7.6885000000e-01  1.4907760000e+00 -1.4287520000e+00 -5.4006500000e-01  2.3462540000e+00 -1.0653700000e+00 -1.0252260000e+00  9.6807800000e-01 -6.6895600000e-01  8.1231100000e-01 -1.5021300000e+00  1.4096300000e+00  7.6729800000e-01 -2.2334500000e+00  7.9369500000e-01  1.1059000000e-01 -9.1246600000e-01  1.1337410000e+00
+ENERGY -1.526529323595e+02
+FORCES  2.2000000000e-06  2.4600000000e-03  4.2712000000e-03 -1.1858000000e-03 -3.7718000000e-03 -1.5766000000e-03  1.5709000000e-03  8.5990000000e-04 -2.4692000000e-03 -2.4470000000e-03 -1.1632000000e-03 -4.1262000000e-03  1.9300000000e-05  3.0686000000e-03  2.9075000000e-03  2.0405000000e-03 -1.4535000000e-03  9.9340000000e-04
+
+JOB 59
+COORDS -1.1945290000e+00  1.8665300000e+00  2.5597800000e-01 -1.4880390000e+00  1.3198170000e+00 -4.7284800000e-01 -9.7811300000e-01  2.7074630000e+00 -1.4679800000e-01  1.2284080000e+00 -1.9380990000e+00 -1.8115700000e-01  1.5077480000e+00 -1.2188510000e+00 -7.4762200000e-01  4.4706500000e-01 -1.6059010000e+00  2.6086100000e-01
+ENERGY -1.526547219452e+02
+FORCES -1.1405000000e-03  2.5441000000e-03 -4.4815000000e-03  2.0784000000e-03  1.5699000000e-03  3.3107000000e-03 -8.6510000000e-04 -3.7154000000e-03  1.5766000000e-03 -1.7632000000e-03  4.8698000000e-03  4.7450000000e-04 -1.2316000000e-03 -3.1935000000e-03  1.6796000000e-03  2.9220000000e-03 -2.0750000000e-03 -2.5600000000e-03
+
+JOB 60
+COORDS -1.9242450000e+00  1.1392280000e+00  5.6823000000e-02 -1.2896700000e+00  1.5888010000e+00  6.1488300000e-01 -2.0002010000e+00  1.6967210000e+00 -7.1755600000e-01  1.9239180000e+00 -1.2595340000e+00 -2.6579000000e-02  2.3920280000e+00 -4.3169000000e-01 -1.3510700000e-01  1.0044710000e+00 -1.0360730000e+00 -1.7119400000e-01
+ENERGY -1.526550213205e+02
+FORCES  6.7570000000e-04  5.1308000000e-03 -4.8680000000e-04 -2.0312000000e-03 -2.4676000000e-03 -2.8886000000e-03  7.1860000000e-04 -2.5371000000e-03  3.3205000000e-03 -2.5022000000e-03  3.8335000000e-03 -1.2423000000e-03 -1.8920000000e-03 -3.0739000000e-03  5.7730000000e-04  5.0312000000e-03 -8.8580000000e-04  7.1990000000e-04
+
+JOB 61
+COORDS -1.5616720000e+00  1.3606700000e+00 -6.7497100000e-01 -1.6516050000e+00  1.2144440000e+00 -1.6166510000e+00 -2.2404360000e+00  2.0023700000e+00 -4.6584900000e-01  1.5524260000e+00 -1.4389140000e+00  7.1098500000e-01  1.4601250000e+00 -4.8630500000e-01  7.2672100000e-01  2.4936760000e+00 -1.5902750000e+00  7.9683600000e-01
+ENERGY -1.526549761622e+02
+FORCES -3.7666000000e-03  1.5681000000e-03 -3.2057000000e-03  3.8690000000e-04  1.0024000000e-03  3.8722000000e-03  2.8602000000e-03 -2.5488000000e-03 -9.1890000000e-04  2.5612000000e-03  3.9358000000e-03  3.6590000000e-04  1.6913000000e-03 -4.5019000000e-03  2.8470000000e-04 -3.7330000000e-03  5.4440000000e-04 -3.9830000000e-04
+
+JOB 62
+COORDS -6.8420100000e-01  2.7432500000e-01  2.1449570000e+00 -2.2178700000e-01 -4.6511100000e-01  2.5394690000e+00 -3.9937000000e-02  9.8216800000e-01  2.1342410000e+00  6.7523700000e-01 -2.8005700000e-01 -2.2106340000e+00 -5.2324000000e-02  3.4160800000e-01 -2.2311050000e+00  5.4573300000e-01 -7.7448800000e-01 -1.4013140000e+00
+ENERGY -1.526553810265e+02
+FORCES  4.3623000000e-03  3.5740000000e-04  2.9691000000e-03 -1.8851000000e-03  2.9816000000e-03 -2.1885000000e-03 -2.8045000000e-03 -3.2027000000e-03 -3.0700000000e-04 -4.2912000000e-03  4.4970000000e-04  3.5605000000e-03  3.2420000000e-03 -2.2676000000e-03 -3.9970000000e-04  1.3764000000e-03  1.6815000000e-03 -3.6344000000e-03
+
+JOB 63
+COORDS -3.3021300000e-01 -2.1834300000e+00  3.8278800000e-01 -6.0811700000e-01 -1.6985600000e+00  1.1598990000e+00  4.7394000000e-02 -2.9927660000e+00  7.2719800000e-01  3.2830000000e-01  2.1797200000e+00 -3.9564500000e-01 -4.0810700000e-01  2.6845110000e+00 -7.4078600000e-01  9.5338400000e-01  2.1415830000e+00 -1.1195570000e+00
+ENERGY -1.526543156623e+02
+FORCES  5.2210000000e-04 -3.4740000000e-04  4.7642000000e-03  7.7480000000e-04 -2.8754000000e-03 -2.9154000000e-03 -1.4661000000e-03  3.2077000000e-03 -1.5020000000e-03 -3.5110000000e-04  1.1697000000e-03 -4.9103000000e-03  2.9460000000e-03 -1.8959000000e-03  1.5879000000e-03 -2.4257000000e-03  7.4120000000e-04  2.9756000000e-03
+
+JOB 64
+COORDS  2.3069070000e+00  2.8882700000e-01 -3.4653200000e-01  2.6214680000e+00  9.3331800000e-01  2.8743500000e-01  1.6973630000e+00  7.7559300000e-01 -9.0128100000e-01 -2.3009680000e+00 -3.1416300000e-01  2.8784700000e-01 -2.5987110000e+00 -1.2223670000e+00  3.4024100000e-01 -1.8491550000e+00 -1.6147200000e-01  1.1177760000e+00
+ENERGY -1.526548113246e+02
+FORCES -1.4847000000e-03  4.6316000000e-03 -3.1550000000e-04 -1.3978000000e-03 -2.7143000000e-03 -2.3209000000e-03  3.1335000000e-03 -1.7925000000e-03  2.4582000000e-03  9.5150000000e-04 -3.6804000000e-03  3.6509000000e-03  9.3800000000e-04  3.7666000000e-03 -1.4480000000e-04 -2.1405000000e-03 -2.1090000000e-04 -3.3279000000e-03
+
+JOB 65
+COORDS  1.0314160000e+00 -7.1132400000e-01 -1.9853100000e+00  1.0801820000e+00 -1.1929850000e+00 -2.8110560000e+00  1.6182000000e-01 -3.1133400000e-01 -1.9917890000e+00 -9.6352700000e-01  7.2179900000e-01  1.9719050000e+00 -1.5971170000e+00  1.2768260000e+00  2.4265920000e+00 -7.3021800000e-01  4.9669000000e-02  2.6122500000e+00
+ENERGY -1.526544117634e+02
+FORCES -3.7708000000e-03  1.7620000000e-04 -2.7246000000e-03 -1.3870000000e-04  1.8737000000e-03  3.3407000000e-03  3.7512000000e-03 -1.9805000000e-03 -9.5530000000e-04 -1.0426000000e-03 -6.9160000000e-04  4.7621000000e-03  2.5125000000e-03 -2.2760000000e-03 -2.0010000000e-03 -1.3116000000e-03  2.8982000000e-03 -2.4218000000e-03
+
+JOB 66
+COORDS -4.0636100000e-01  2.1281420000e+00 -1.0173440000e+00 -1.0651480000e+00  2.5709020000e+00 -4.8237200000e-01  3.1795000000e-01  2.7516360000e+00 -1.0708190000e+00  4.1736300000e-01 -2.2498980000e+00  9.8129500000e-01  3.8818000000e-02 -1.8153970000e+00  1.7455870000e+00  5.6459400000e-01 -1.5436740000e+00  3.5216700000e-01
+ENERGY -1.526553168492e+02
+FORCES -8.1000000000e-05  5.1888000000e-03  1.3095000000e-03  2.9061000000e-03 -2.0140000000e-03 -2.0091000000e-03 -3.0074000000e-03 -2.7663000000e-03  4.1250000000e-04 -1.1890000000e-03  5.1725000000e-03 -8.0600000000e-05  1.5078000000e-03 -1.9154000000e-03 -2.6725000000e-03 -1.3650000000e-04 -3.6656000000e-03  3.0402000000e-03
+
+JOB 67
+COORDS  3.7563400000e-01 -1.5638330000e+00 -1.9834910000e+00  5.6479000000e-01 -1.4037190000e+00 -1.0589290000e+00  5.1500900000e-01 -7.1688000000e-01 -2.4071390000e+00 -3.9860000000e-01  1.4667170000e+00  1.9079110000e+00  2.1406700000e-01  2.1929320000e+00  2.0240290000e+00 -9.2967100000e-01  1.4711010000e+00  2.7042630000e+00
+ENERGY -1.526551620525e+02
+FORCES  8.3870000000e-04  4.5730000000e-03  2.7460000000e-03 -2.6770000000e-04 -1.2906000000e-03 -4.2753000000e-03 -3.1350000000e-04 -3.4780000000e-03  1.2387000000e-03 -1.6900000000e-04  3.2120000000e-03  4.1837000000e-03 -2.4177000000e-03 -3.1096000000e-03 -6.5570000000e-04  2.3290000000e-03  9.3200000000e-05 -3.2375000000e-03
+
+JOB 68
+COORDS -2.1344000000e-02  1.8018490000e+00  1.9560630000e+00 -5.4512100000e-01  2.6008320000e+00  2.0153500000e+00  8.7936900000e-01  2.0944960000e+00  2.0950100000e+00  2.8411000000e-02 -1.8173000000e+00 -1.9330860000e+00 -3.8703800000e-01 -1.7431180000e+00 -2.7922320000e+00 -6.8852000000e-02 -2.7401630000e+00 -1.6983600000e+00
+ENERGY -1.526534065050e+02
+FORCES  1.7210000000e-03  4.2217000000e-03  3.1360000000e-04  2.0574000000e-03 -3.2310000000e-03 -1.5560000000e-04 -3.7057000000e-03 -1.0672000000e-03 -3.1910000000e-04 -2.3222000000e-03 -3.3082000000e-03 -2.1328000000e-03  1.7582000000e-03 -2.9480000000e-04  3.4078000000e-03  4.9130000000e-04  3.6795000000e-03 -1.1139000000e-03
+
+JOB 69
+COORDS -6.7485500000e-01  2.4613870000e+00 -1.7791700000e+00 -8.6720800000e-01  2.6758630000e+00 -8.6635400000e-01 -1.2281920000e+00  1.7038600000e+00 -1.9694390000e+00  6.6993800000e-01 -2.4090830000e+00  1.7011800000e+00  1.4349880000e+00 -2.9048360000e+00  1.4093600000e+00  7.9016600000e-01 -2.3165000000e+00  2.6462760000e+00
+ENERGY -1.526544463621e+02
+FORCES -2.9074000000e-03 -2.6734000000e-03  3.1961000000e-03  7.1250000000e-04 -5.4850000000e-04 -3.7426000000e-03  2.1043000000e-03  3.2992000000e-03  5.2780000000e-04  3.8402000000e-03 -1.7208000000e-03  2.6064000000e-03 -3.1809000000e-03  1.9664000000e-03  1.2625000000e-03 -5.6870000000e-04 -3.2290000000e-04 -3.8502000000e-03
+
+JOB 70
+COORDS -7.7358400000e-01 -2.9968380000e+00  3.0633600000e-01 -2.0012500000e-01 -3.2712050000e+00 -4.0927400000e-01 -1.6592760000e+00 -3.1221420000e+00 -3.4370000000e-02  8.4540300000e-01  3.0495960000e+00 -2.3150600000e-01  7.4711500000e-01  2.2092150000e+00 -6.7909100000e-01 -5.1001000000e-02  3.3609700000e+00 -1.0605700000e-01
+ENERGY -1.526541677546e+02
+FORCES -1.2497000000e-03 -2.1107000000e-03 -4.1073000000e-03 -2.3999000000e-03  1.3593000000e-03  2.8665000000e-03  3.6629000000e-03  7.1420000000e-04  1.3361000000e-03 -4.1090000000e-03 -2.4622000000e-03 -9.7650000000e-04  4.6910000000e-04  3.6177000000e-03  1.5105000000e-03  3.6266000000e-03 -1.1184000000e-03 -6.2920000000e-04
+
+JOB 71
+COORDS -1.0754010000e+00 -2.9735280000e+00 -5.8596300000e-01 -2.5504400000e-01 -2.7176560000e+00 -1.0075960000e+00 -1.0823420000e+00 -3.9294580000e+00 -6.3475900000e-01  1.0341340000e+00  2.9634090000e+00  5.6612100000e-01  1.7372210000e+00  3.5742490000e+00  7.8697300000e-01  3.1046400000e-01  3.2124410000e+00  1.1410270000e+00
+ENERGY -1.526541863817e+02
+FORCES  3.5001000000e-03 -2.5308000000e-03 -1.9416000000e-03 -3.4247000000e-03 -1.3682000000e-03  1.6592000000e-03 -1.5500000000e-05  3.8412000000e-03  2.2350000000e-04 -3.2500000000e-04  3.4297000000e-03  3.3375000000e-03 -2.8078000000e-03 -2.5089000000e-03 -9.3510000000e-04  3.0729000000e-03 -8.6310000000e-04 -2.3435000000e-03
+
+JOB 72
+COORDS -7.9979700000e-01 -1.8238800000e+00  2.6517660000e+00 -1.5120530000e+00 -2.2699490000e+00  3.1099630000e+00 -1.1760370000e+00 -9.8646900000e-01  2.3808080000e+00  8.5362300000e-01  1.7400960000e+00 -2.6350610000e+00  2.0802600000e-01  2.2245200000e+00 -3.1496200000e+00  1.5987570000e+00  2.3364830000e+00 -2.5620600000e+00
+ENERGY -1.526540051540e+02
+FORCES -4.3409000000e-03  1.7156000000e-03  4.0550000000e-04  2.8897000000e-03  1.7883000000e-03 -1.8083000000e-03  1.3949000000e-03 -3.4608000000e-03  1.4131000000e-03  6.1600000000e-04  4.3137000000e-03 -1.8869000000e-03  2.5604000000e-03 -1.9761000000e-03  2.1817000000e-03 -3.1201000000e-03 -2.3806000000e-03 -3.0510000000e-04
+
+JOB 73
+COORDS  1.3550170000e+00 -2.2076600000e-01  3.3757790000e+00  1.8681980000e+00  4.4166500000e-01  2.9131110000e+00  8.7729500000e-01 -6.7992600000e-01  2.6849920000e+00 -1.3091930000e+00  2.5179900000e-01 -3.2851480000e+00 -2.2340560000e+00  2.7876200000e-01 -3.0399290000e+00 -1.2333500000e+00 -5.1618200000e-01 -3.8514390000e+00
+ENERGY -1.526544130299e+02
+FORCES  1.3980000000e-04  9.2740000000e-04 -4.9015000000e-03 -2.0230000000e-03 -2.6998000000e-03  2.0193000000e-03  1.9025000000e-03  1.7456000000e-03  2.9618000000e-03 -3.5984000000e-03 -2.9309000000e-03 -1.5919000000e-03  3.8533000000e-03 -1.5810000000e-04 -9.0220000000e-04 -2.7420000000e-04  3.1159000000e-03  2.4146000000e-03
+
+JOB 74
+COORDS  8.8545700000e-01 -7.8600900000e-01 -3.4213570000e+00  1.3300620000e+00 -1.0235460000e+00 -2.6076410000e+00  1.3576040000e+00 -1.2659840000e+00 -4.1017490000e+00 -9.4698300000e-01  8.3343900000e-01  3.4743660000e+00 -1.4956950000e+00  1.3228500000e+00  2.8614850000e+00 -3.5809500000e-01  3.2547600000e-01  2.9163190000e+00
+ENERGY -1.526541086608e+02
+FORCES  3.8397000000e-03 -3.0141000000e-03  2.6270000000e-04 -1.9438000000e-03  1.0655000000e-03 -3.1115000000e-03 -1.9336000000e-03  1.9706000000e-03  2.8353000000e-03  2.7900000000e-05  4.7000000000e-06 -4.8455000000e-03  2.2826000000e-03 -2.0162000000e-03  2.5749000000e-03 -2.2729000000e-03  1.9895000000e-03  2.2841000000e-03
+
+JOB 75
+COORDS  1.2197500000e+00  3.2850940000e+00  1.2444870000e+00  1.6181330000e+00  3.1942080000e+00  2.1100870000e+00  4.0464300000e-01  3.7608310000e+00  1.4041990000e+00 -1.1449130000e+00 -3.2857980000e+00 -1.3352810000e+00 -2.0533110000e+00 -2.9927150000e+00 -1.4070210000e+00 -1.1489910000e+00 -3.9031800000e+00 -6.0380700000e-01
+ENERGY -1.526538122957e+02
+FORCES -1.6687000000e-03  1.4626000000e-03  4.1123000000e-03 -1.6413000000e-03  4.0600000000e-04 -3.5026000000e-03  3.3020000000e-03 -1.9218000000e-03 -6.3090000000e-04 -3.6352000000e-03 -1.1487000000e-03  2.7129000000e-03  3.6514000000e-03 -1.2663000000e-03  2.8910000000e-04 -8.1000000000e-06  2.4681000000e-03 -2.9808000000e-03
+
+JOB 76
+COORDS -3.0059300000e-01  3.1310710000e+00  2.4858120000e+00 -9.2452100000e-01  3.6030880000e+00  3.0373060000e+00 -5.9790400000e-01  2.2215730000e+00  2.5113470000e+00  3.6293600000e-01 -3.1427180000e+00 -2.5701370000e+00 -3.0475800000e-01 -3.2011690000e+00 -1.8867630000e+00  9.0304200000e-01 -2.3949050000e+00 -2.3146100000e+00
+ENERGY -1.526540201758e+02
+FORCES -3.8009000000e-03 -1.6044000000e-03  2.4872000000e-03  2.5548000000e-03 -1.9813000000e-03 -2.2748000000e-03  1.2644000000e-03  3.5919000000e-03 -2.3810000000e-04 -4.4330000000e-04  2.8655000000e-03  3.7435000000e-03  2.6894000000e-03  2.4240000000e-04 -2.7273000000e-03 -2.2645000000e-03 -3.1142000000e-03 -9.9050000000e-04
+
+JOB 77
+COORDS  7.6282500000e-01 -6.7993200000e-01  4.0789430000e+00  5.9896700000e-01  5.0616000000e-02  3.4825520000e+00  1.5306760000e+00 -1.1199210000e+00  3.7141870000e+00 -7.6418000000e-01  6.1701100000e-01 -3.9897890000e+00 -5.4907800000e-01  9.5318500000e-01 -4.8598190000e+00 -1.5579520000e+00  1.0897080000e+00 -3.7393580000e+00
+ENERGY -1.526542433151e+02
+FORCES  2.4570000000e-03  1.1236000000e-03 -4.0858000000e-03  6.4260000000e-04 -2.9083000000e-03  2.5348000000e-03 -3.0914000000e-03  1.7947000000e-03  1.5835000000e-03 -2.4442000000e-03  3.2457000000e-03 -2.6532000000e-03 -8.5830000000e-04 -1.3545000000e-03  3.5802000000e-03  3.2943000000e-03 -1.9012000000e-03 -9.5960000000e-04
+
+JOB 78
+COORDS -2.2568000000e-02  1.5301080000e+00  3.9609430000e+00  9.0957000000e-01  1.6186580000e+00  4.1597160000e+00 -4.9347000000e-02  1.3058140000e+00  3.0307780000e+00 -5.3385000000e-02 -1.5373160000e+00 -3.8672290000e+00 -2.6427000000e-01 -1.7472570000e+00 -4.7770000000e+00  7.7314100000e-01 -1.0571120000e+00 -3.9171320000e+00
+ENERGY -1.526541401820e+02
+FORCES  3.6062000000e-03 -6.6470000000e-04 -3.0593000000e-03 -3.7667000000e-03 -3.2310000000e-04 -7.9150000000e-04  1.8660000000e-04  1.0085000000e-03  3.8583000000e-03  2.4374000000e-03  1.0182000000e-03 -4.0538000000e-03  8.9430000000e-04  8.7640000000e-04  3.7278000000e-03 -3.3579000000e-03 -1.9153000000e-03  3.1850000000e-04
+
+JOB 79
+COORDS  1.3783290000e+00 -3.1113030000e+00  2.6451380000e+00  1.1792440000e+00 -3.6757860000e+00  3.3921020000e+00  6.1692100000e-01 -3.1953220000e+00  2.0711770000e+00 -1.3625090000e+00  3.0984140000e+00 -2.6653490000e+00 -1.5824980000e+00  4.0064950000e+00 -2.4574420000e+00 -4.1071300000e-01  3.0992800000e+00 -2.7669210000e+00
+ENERGY -1.526541994276e+02
+FORCES -3.9952000000e-03 -2.6081000000e-03  6.5380000000e-04  8.3560000000e-04  2.2911000000e-03 -3.0215000000e-03  3.1554000000e-03  2.9200000000e-04  2.3808000000e-03  3.0576000000e-03  3.7139000000e-03  4.7710000000e-04  8.6590000000e-04 -3.6958000000e-03 -8.6240000000e-04 -3.9192000000e-03  7.0000000000e-06  3.7230000000e-04
+
+JOB 80
+COORDS -6.3537500000e-01  4.4929260000e+00  1.2005040000e+00 -9.9849000000e-01  5.2843020000e+00  1.5981280000e+00 -9.3935400000e-01  3.7805650000e+00  1.7629720000e+00  6.8281700000e-01 -4.5492430000e+00 -1.2256160000e+00  1.3139080000e+00 -3.8381790000e+00 -1.3367190000e+00 -9.2963000000e-02 -4.2587040000e+00 -1.7051830000e+00
+ENERGY -1.526541848354e+02
+FORCES -2.7203000000e-03  3.9090000000e-04  3.9792000000e-03  1.4758000000e-03 -3.2402000000e-03 -1.6327000000e-03  1.2456000000e-03  2.8705000000e-03 -2.3482000000e-03 -5.5160000000e-04  4.1195000000e-03 -2.4628000000e-03 -2.5839000000e-03 -2.9317000000e-03  4.8120000000e-04  3.1344000000e-03 -1.2090000000e-03  1.9833000000e-03
+
+JOB 81
+COORDS -9.5797500000e-01  1.4334360000e+00 -4.4410660000e+00 -1.4187860000e+00  7.3568300000e-01 -3.9752050000e+00 -1.5176650000e+00  2.2027490000e+00 -4.3355330000e+00  9.6046400000e-01 -1.4014980000e+00  4.4227240000e+00  1.0300940000e+00 -2.3209290000e+00  4.1657600000e+00  1.8644770000e+00 -1.0871920000e+00  4.4370460000e+00
+ENERGY -1.526541627935e+02
+FORCES -4.1813000000e-03  3.1530000000e-04  2.4065000000e-03  1.8901000000e-03  2.8170000000e-03 -1.9491000000e-03  2.2836000000e-03 -3.1313000000e-03 -4.7050000000e-04  4.0339000000e-03 -2.4564000000e-03 -9.8030000000e-04 -3.2120000000e-04  3.7458000000e-03  1.0378000000e-03 -3.7050000000e-03 -1.2903000000e-03 -4.4400000000e-05
+
+JOB 82
+COORDS -2.9448440000e+00  4.4894830000e+00 -2.1079000000e-01 -2.5644960000e+00  3.6178800000e+00 -1.0181600000e-01 -2.2526430000e+00  5.0897440000e+00  6.6297000000e-02  2.8859150000e+00 -4.4383680000e+00  1.3929200000e-01  3.6235660000e+00 -4.6538320000e+00  7.0997400000e-01  2.1470080000e+00 -4.9212320000e+00  5.0955000000e-01
+ENERGY -1.526541448662e+02
+FORCES  4.4216000000e-03 -1.1425000000e-03  1.5244000000e-03 -1.5890000000e-03  3.5735000000e-03 -4.0920000000e-04 -2.8402000000e-03 -2.4218000000e-03 -1.1076000000e-03  2.3400000000e-05 -2.9352000000e-03  3.8071000000e-03 -3.0206000000e-03  9.1110000000e-04 -2.3171000000e-03  3.0048000000e-03  2.0148000000e-03 -1.4975000000e-03
+
+JOB 83
+COORDS -1.0189490000e+00 -5.0809350000e+00 -2.1213580000e+00 -1.1742690000e+00 -4.1365630000e+00 -2.1049950000e+00 -1.9056100000e-01 -5.1798080000e+00 -2.5906430000e+00  1.0303570000e+00  5.0879390000e+00  2.1590460000e+00  9.6884100000e-01  4.6016320000e+00  1.3368820000e+00  3.4709800000e-01  4.7103200000e+00  2.7129340000e+00
+ENERGY -1.526540119453e+02
+FORCES  2.7569000000e-03  3.3854000000e-03 -1.8884000000e-03  6.3210000000e-04 -3.8127000000e-03 -3.4200000000e-05 -3.3912000000e-03  4.3500000000e-04  1.9308000000e-03 -3.0498000000e-03 -3.4886000000e-03 -1.0469000000e-03  2.5610000000e-04  1.9549000000e-03  3.3307000000e-03  2.7959000000e-03  1.5261000000e-03 -2.2920000000e-03
+
+JOB 84
+COORDS  1.2036800000e-01  5.6699870000e+00 -9.1191900000e-01 -8.3450100000e-01  5.6064720000e+00 -9.3249300000e-01  3.7161500000e-01  5.2440330000e+00 -9.2364000000e-02 -3.5424000000e-02 -5.6926450000e+00  8.7494300000e-01 -4.4991100000e-01 -5.3712470000e+00  7.4233000000e-02 -4.6997700000e-01 -5.2122050000e+00  1.5796230000e+00
+ENERGY -1.526540209742e+02
+FORCES -2.8418000000e-03 -1.9428000000e-03  3.2656000000e-03  3.8924000000e-03  2.2510000000e-04  8.4500000000e-05 -1.0508000000e-03  1.7108000000e-03 -3.3516000000e-03 -3.4527000000e-03  3.2331000000e-03 -4.1730000000e-04  1.6814000000e-03 -1.2925000000e-03  3.2899000000e-03  1.7714000000e-03 -1.9336000000e-03 -2.8710000000e-03
+
+JOB 85
+COORDS -3.9079400000e-01  6.3441880000e+00 -3.5567840000e+00 -6.6745000000e-01  5.4675700000e+00 -3.8236830000e+00 -6.0747500000e-01  6.3911100000e+00 -2.6256130000e+00  4.6276000000e-01 -6.2940870000e+00  3.4769750000e+00 -4.8389200000e-01 -6.2306640000e+00  3.3502490000e+00  5.7103300000e-01 -6.4150860000e+00  4.4203030000e+00
+ENERGY -1.526540790735e+02
+FORCES -1.9877000000e-03 -3.4036000000e-03  2.7098000000e-03  1.1133000000e-03  3.5858000000e-03  1.0876000000e-03  8.7140000000e-04 -1.8140000000e-04 -3.7967000000e-03 -3.4068000000e-03 -2.7160000000e-04  3.3448000000e-03  3.8588000000e-03 -2.3630000000e-04  5.0750000000e-04 -4.4890000000e-04  5.0710000000e-04 -3.8531000000e-03
+
+JOB 86
+COORDS  1.6390360000e+00  6.2554950000e+00  3.5735400000e+00  9.4095800000e-01  6.3847910000e+00  2.9315100000e+00  2.3097880000e+00  6.8936800000e+00  3.3305500000e+00 -1.6845780000e+00 -6.2766020000e+00 -3.5589840000e+00 -1.0709030000e+00 -5.7725890000e+00 -3.0245630000e+00 -1.4453580000e+00 -7.1900450000e+00 -3.4020500000e+00
+ENERGY -1.526540985287e+02
+FORCES -1.2400000000e-04  3.1466000000e-03 -3.6082000000e-03  2.8545000000e-03 -5.3470000000e-04  2.6190000000e-03 -2.7302000000e-03 -2.6098000000e-03  9.9100000000e-04  3.4791000000e-03 -1.6714000000e-03  2.8387000000e-03 -2.5033000000e-03 -2.0542000000e-03 -2.1923000000e-03 -9.7610000000e-04  3.7234000000e-03 -6.4810000000e-04
+
+JOB 87
+COORDS -5.5178600000e+00 -5.9999670000e+00 -6.2222400000e-01 -4.5608010000e+00 -6.0015830000e+00 -6.3855500000e-01 -5.7733320000e+00 -6.2855760000e+00 -1.4993750000e+00  5.4622770000e+00  6.0698180000e+00  6.4798700000e-01  6.2976800000e+00  5.6094770000e+00  5.6787100000e-01  4.9262480000e+00  5.5000700000e+00  1.1996140000e+00
+ENERGY -1.526540688482e+02
+FORCES  2.8473000000e-03 -1.1737000000e-03 -3.6549000000e-03 -3.8961000000e-03  1.0000000000e-05  7.3900000000e-05  1.0488000000e-03  1.1643000000e-03  3.5818000000e-03  1.2176000000e-03 -4.1910000000e-03  1.9366000000e-03 -3.4085000000e-03  1.8726000000e-03  3.2070000000e-04  2.1909000000e-03  2.3177000000e-03 -2.2581000000e-03
+
+JOB 88
+COORDS -6.3364230000e+00 -3.0437580000e+00 -5.4584080000e+00 -6.3857680000e+00 -2.4561590000e+00 -4.7044030000e+00 -7.1844360000e+00 -3.4874910000e+00 -5.4727640000e+00  6.3767540000e+00  3.0986100000e+00  5.4264130000e+00  6.5156730000e+00  2.3978340000e+00  6.0634730000e+00  6.3009680000e+00  2.6471710000e+00  4.5857630000e+00
+ENERGY -1.526540832604e+02
+FORCES -3.6709000000e-03  5.9430000000e-04  3.0093000000e-03  2.0810000000e-04 -2.4017000000e-03 -3.0718000000e-03  3.4626000000e-03  1.8069000000e-03  6.1600000000e-05  2.6650000000e-04 -4.7012000000e-03 -8.3840000000e-04 -5.7090000000e-04  2.8594000000e-03 -2.5947000000e-03  3.0460000000e-04  1.8423000000e-03  3.4339000000e-03
+
+JOB 89
+COORDS  3.1151680000e+00 -7.7082260000e+00  3.2316800000e+00  2.2427620000e+00 -8.1020810000e+00  3.2358990000e+00  3.7129720000e+00 -8.4501240000e+00  3.1397550000e+00 -3.0680300000e+00  7.7876850000e+00 -3.2834810000e+00 -2.8842690000e+00  8.1837150000e+00 -2.4316460000e+00 -3.7608670000e+00  7.1510430000e+00 -3.1077070000e+00
+ENERGY -1.526540781023e+02
+FORCES -1.1111000000e-03 -4.6371000000e-03 -3.6490000000e-04  3.5540000000e-03  1.6106000000e-03 -1.3900000000e-05 -2.4420000000e-03  3.0263000000e-03  3.7820000000e-04 -2.0614000000e-03 -9.9450000000e-04  4.1998000000e-03 -7.5690000000e-04 -1.6078000000e-03 -3.4776000000e-03  2.8174000000e-03  2.6024000000e-03 -7.2160000000e-04
+
+JOB 0
+COORDS  6.3544600000e-01 -2.8424600000e-01 -1.0975430000e+00  1.1119040000e+00  5.4245800000e-01 -1.1735700000e+00  1.2702970000e+00 -8.9332000000e-01 -7.2041700000e-01 -6.7616100000e-01  2.7028100000e-01  1.1466280000e+00 -1.5183640000e+00  6.0978100000e-01  8.4386400000e-01 -2.3759800000e-01 -2.8749000000e-02  3.5008800000e-01
+ENERGY -1.526588710800e+02
+FORCES  7.3500000000e-04  3.4639000000e-03  5.8346000000e-03 -3.1836000000e-03 -4.9672000000e-03  1.5495000000e-03 -5.4135000000e-03  4.9373000000e-03  3.5140000000e-04  5.8928000000e-03 -4.2029000000e-03 -1.8027800000e-02  2.7925000000e-03 -4.7500000000e-04 -2.5600000000e-05 -8.2320000000e-04  1.2439000000e-03  1.0318000000e-02
+
+JOB 1
+COORDS -2.7064300000e-01  9.0850900000e-01 -9.6728100000e-01 -1.0599500000e-01  4.2098700000e-01 -1.6016000000e-01 -1.0039170000e+00  1.4855310000e+00 -7.5377300000e-01  2.9855300000e-01 -8.5163900000e-01  8.8166700000e-01  1.1264070000e+00 -1.3260720000e+00  9.5784800000e-01 -3.5984000000e-01 -1.4634160000e+00  1.2110300000e+00
+ENERGY -1.526585358956e+02
+FORCES  3.6234000000e-03 -1.0524400000e-02  1.2225900000e-02 -2.9657000000e-03  6.6598000000e-03 -4.4767000000e-03  1.7563000000e-03 -3.4246000000e-03  1.2545000000e-03 -1.4320000000e-03  4.2691000000e-03 -8.8287000000e-03 -5.0479000000e-03  5.7050000000e-04  7.6690000000e-04  4.0660000000e-03  2.4497000000e-03 -9.4180000000e-04
+
+JOB 2
+COORDS  9.9268500000e-01 -8.4087300000e-01  1.3888300000e-01  4.2915100000e-01 -1.3410460000e+00  7.2921300000e-01  1.6905500000e+00 -5.0440200000e-01  7.0102400000e-01 -1.0468070000e+00  8.8607000000e-01 -2.4769500000e-01 -8.4434200000e-01  9.3324800000e-01  6.8665700000e-01 -4.0745200000e-01  2.6741400000e-01 -6.0085500000e-01
+ENERGY -1.526560014920e+02
+FORCES -3.8085000000e-03  4.4658000000e-03  3.1214000000e-03  2.0870000000e-03  4.6128000000e-03 -2.7695000000e-03 -4.5632000000e-03 -1.6875000000e-03 -1.4448000000e-03  1.4594600000e-02 -8.8125000000e-03  3.6854000000e-03 -1.8337000000e-03  2.8700000000e-05 -3.3610000000e-04 -6.4762000000e-03  1.3927000000e-03 -2.2564000000e-03
+
+JOB 3
+COORDS  1.1661190000e+00 -3.3035300000e-01 -6.2570800000e-01  1.4149900000e+00 -1.2524560000e+00 -6.8911500000e-01  5.2051300000e-01 -3.0403800000e-01  8.0501000000e-02 -1.0737220000e+00  3.6915600000e-01  5.8300200000e-01 -1.5885190000e+00  3.0382900000e-01  1.3873330000e+00 -1.7162030000e+00  5.7013000000e-01 -9.7482000000e-02
+ENERGY -1.526591499882e+02
+FORCES -1.1041500000e-02  1.9744000000e-03  7.2579000000e-03 -2.4209000000e-03  2.7484000000e-03  1.3195000000e-03  7.6242000000e-03 -3.2824000000e-03 -3.0591000000e-03  2.6777000000e-03 -5.5400000000e-04 -6.2565000000e-03  2.1325000000e-03 -1.1130000000e-04 -4.5548000000e-03  1.0279000000e-03 -7.7520000000e-04  5.2929000000e-03
+
+JOB 4
+COORDS -4.8512700000e-01  9.9572000000e-02 -1.1969050000e+00 -1.3535420000e+00 -2.2119900000e-01 -9.5360700000e-01 -6.4446300000e-01  6.8633900000e-01 -1.9361940000e+00  4.9659700000e-01 -9.5186000000e-02  1.2741980000e+00  1.2666200000e+00 -6.6111900000e-01  1.3291150000e+00  4.6413300000e-01  1.7757200000e-01  3.5725700000e-01
+ENERGY -1.526604051494e+02
+FORCES -2.3865000000e-03 -9.2570000000e-04  5.7331000000e-03  3.8238000000e-03  2.5287000000e-03 -3.4286000000e-03 -1.3900000000e-04 -3.0921000000e-03  3.8710000000e-03 -1.9064000000e-03  8.2450000000e-04 -1.3108100000e-02 -2.4285000000e-03  1.7582000000e-03 -1.4501000000e-03  3.0367000000e-03 -1.0936000000e-03  8.3827000000e-03
+
+JOB 5
+COORDS -2.7778900000e-01  9.3285000000e-01  1.0321960000e+00 -4.8071500000e-01  2.3464000000e-01  4.0965600000e-01  5.9856700000e-01  7.2069400000e-01  1.3534760000e+00  2.0563500000e-01 -8.2059500000e-01 -9.9276900000e-01  3.2330800000e-01 -1.6576050000e+00 -5.4354900000e-01  6.5215500000e-01 -9.3370400000e-01 -1.8318510000e+00
+ENERGY -1.526564635719e+02
+FORCES  5.8894000000e-03 -7.8022000000e-03 -1.1223200000e-02 -2.8497000000e-03 -5.5700000000e-04  6.5447000000e-03 -2.3244000000e-03  5.5460000000e-04  6.3990000000e-04  1.2917000000e-03  3.0578000000e-03  2.7900000000e-04 -8.0770000000e-04  5.9134000000e-03 -7.8000000000e-04 -1.1992000000e-03 -1.1665000000e-03  4.5397000000e-03
+
+JOB 6
+COORDS  1.0693580000e+00 -7.2734700000e-01  2.5134900000e-01  1.3538390000e+00 -1.5143380000e+00 -2.1335300000e-01  1.8577710000e+00 -4.1085700000e-01  6.9233800000e-01 -1.1875050000e+00  7.7794900000e-01 -2.3200400000e-01 -7.6055700000e-01  8.6055500000e-01 -1.0847200000e+00 -5.7380500000e-01  2.6632000000e-01  2.9510000000e-01
+ENERGY -1.526592192776e+02
+FORCES -1.0709000000e-03  5.3600000000e-05 -1.4811000000e-03  1.6520000000e-04  4.3958000000e-03  2.0892000000e-03 -3.8454000000e-03 -1.9099000000e-03 -2.6401000000e-03  1.2762300000e-02 -7.4919000000e-03 -4.4800000000e-04 -2.6222000000e-03  9.0610000000e-04  6.6050000000e-04 -5.3890000000e-03  4.0462000000e-03  1.8194000000e-03
+
+JOB 7
+COORDS -9.7819100000e-01  2.6653100000e-01  8.7512600000e-01 -1.0606800000e+00  9.9114500000e-01  1.4950960000e+00 -1.8686270000e+00  1.2204100000e-01  5.5500200000e-01  1.0939240000e+00 -3.2977500000e-01 -9.0288100000e-01  3.9054700000e-01 -2.3998400000e-01 -1.5458670000e+00  7.4603700000e-01  7.5359000000e-02 -1.0848000000e-01
+ENERGY -1.526579264504e+02
+FORCES -2.3957000000e-03 -7.7400000000e-04 -2.3351000000e-03  1.1312000000e-03 -3.5486000000e-03 -3.7710000000e-03  3.8807000000e-03  1.6306000000e-03  1.7775000000e-03 -1.2032500000e-02  3.1894000000e-03  6.5431000000e-03  2.1752000000e-03 -9.9800000000e-04  8.4000000000e-06  7.2411000000e-03  5.0060000000e-04 -2.2229000000e-03
+
+JOB 8
+COORDS  3.5014300000e-01  1.1498670000e+00 -5.9485700000e-01  1.1916940000e+00  1.2985970000e+00 -1.0260220000e+00  9.1651000000e-02  2.0120490000e+00 -2.6919600000e-01 -3.5823300000e-01 -1.2738470000e+00  5.9528800000e-01 -1.2853200000e-01 -4.8865200000e-01  9.8359000000e-02 -1.0463390000e+00 -9.8557200000e-01  1.1949870000e+00
+ENERGY -1.526605528008e+02
+FORCES  1.1597000000e-03 -2.9510000000e-04  2.3259000000e-03 -4.3358000000e-03  5.2160000000e-04  2.2755000000e-03  2.0108000000e-03 -3.5542000000e-03 -2.0460000000e-03  1.2878000000e-03  1.2149300000e-02 -3.9435000000e-03 -1.9769000000e-03 -8.5233000000e-03  2.9484000000e-03  1.8544000000e-03 -2.9840000000e-04 -1.5603000000e-03
+
+JOB 9
+COORDS -2.8397400000e-01  1.3665250000e+00 -3.7821500000e-01 -3.5077400000e-01  4.1670200000e-01 -2.8021000000e-01 -1.1903270000e+00  1.6738790000e+00 -3.6116000000e-01  2.6359300000e-01 -1.3242210000e+00  3.6957600000e-01  7.1790200000e-01 -2.1318890000e+00  1.2976900000e-01  9.5963900000e-01 -7.3405000000e-01  6.5845200000e-01
+ENERGY -1.526606199124e+02
+FORCES -3.6508000000e-03 -7.4565000000e-03  3.6860000000e-04  3.0167000000e-03  8.9548000000e-03  1.8712000000e-03  2.7455000000e-03 -1.6853000000e-03 -2.4330000000e-04  4.6441000000e-03 -1.1041000000e-03 -3.7380000000e-04 -9.6660000000e-04  3.7487000000e-03  2.2776000000e-03 -5.7888000000e-03 -2.4575000000e-03 -3.9001000000e-03
+
+JOB 10
+COORDS -1.0754720000e+00  3.3390600000e-01  7.8939400000e-01 -5.4758400000e-01  8.6798700000e-01  1.3829620000e+00 -1.9273530000e+00  2.6649900000e-01  1.2206550000e+00  1.1103130000e+00 -4.2150000000e-01 -8.3826800000e-01  1.5103250000e+00  2.2676900000e-01 -1.4178970000e+00  3.7637300000e-01  3.9879000000e-02 -4.3244300000e-01
+ENERGY -1.526589312619e+02
+FORCES -1.8003000000e-03 -1.5337000000e-03  2.3163000000e-03 -1.9969000000e-03 -2.4600000000e-03 -5.0353000000e-03  4.2485000000e-03  1.3182000000e-03 -1.7660000000e-04 -7.4404000000e-03  2.6722000000e-03  1.8517000000e-03 -2.1184000000e-03 -1.4187000000e-03  2.8656000000e-03  9.1074000000e-03  1.4220000000e-03 -1.8216000000e-03
+
+JOB 11
+COORDS -1.2486700000e+00 -3.7107700000e-01 -4.2037900000e-01 -1.3550780000e+00 -1.3192880000e+00 -4.9656700000e-01 -1.9595810000e+00 -6.6690000000e-03 -9.4767800000e-01  1.3451480000e+00  3.6432200000e-01  4.7442500000e-01  1.3965710000e+00  1.3171180000e+00  3.9848700000e-01  4.4799600000e-01  1.5118200000e-01  2.1767300000e-01
+ENERGY -1.526611406064e+02
+FORCES -1.6720000000e-04 -6.4740000000e-04 -1.9076000000e-03 -1.9620000000e-04  5.0082000000e-03 -1.1120000000e-04  2.4713000000e-03 -2.9521000000e-03  2.2169000000e-03 -1.0394500000e-02  5.4710000000e-04 -3.8529000000e-03 -4.5850000000e-04 -2.5628000000e-03 -3.0400000000e-05  8.7451000000e-03  6.0700000000e-04  3.6851000000e-03
+
+JOB 12
+COORDS  4.2724200000e-01 -1.0919580000e+00 -7.3791600000e-01  7.1863800000e-01 -1.9666200000e+00 -4.8045500000e-01  1.1277340000e+00 -7.6151300000e-01 -1.3003640000e+00 -4.4984400000e-01  1.1708200000e+00  8.0145700000e-01 -1.2656810000e+00  1.3706650000e+00  3.4243300000e-01 -2.7559700000e-01  2.5306800000e-01  5.9264500000e-01
+ENERGY -1.526608639925e+02
+FORCES  4.4597000000e-03  8.9310000000e-04 -2.2210000000e-03 -1.0944000000e-03  4.6838000000e-03 -8.8920000000e-04 -3.0800000000e-03 -3.2733000000e-03  2.1892000000e-03  4.6000000000e-06 -8.5550000000e-03 -6.5285000000e-03  2.5190000000e-03 -1.9410000000e-04  1.3372000000e-03 -2.8089000000e-03  6.4455000000e-03  6.1123000000e-03
+
+JOB 13
+COORDS  1.1127440000e+00  7.4354800000e-01  5.8867300000e-01  1.0494250000e+00  1.1400600000e-01  1.3069340000e+00  3.3263400000e-01  1.2907070000e+00  6.7965300000e-01 -1.0896420000e+00 -6.8373100000e-01 -6.5059500000e-01 -1.4856820000e+00 -1.5498560000e+00 -7.4657400000e-01 -2.4064900000e-01 -8.5201600000e-01 -2.4178900000e-01
+ENERGY -1.526568242209e+02
+FORCES -5.5484000000e-03  3.2967000000e-03  2.9134000000e-03 -1.0535000000e-03 -2.3700000000e-05 -6.1303000000e-03  4.9677000000e-03 -2.5119000000e-03  5.6640000000e-04  5.4166000000e-03 -9.2200000000e-04  1.6840000000e-04  3.0073000000e-03  3.3644000000e-03  1.2931000000e-03 -6.7897000000e-03 -3.2035000000e-03  1.1890000000e-03
+
+JOB 14
+COORDS -3.7716200000e-01 -1.1971600000e+00 -6.8783800000e-01 -6.1321900000e-01 -1.1338110000e+00  2.3763200000e-01 -1.1615830000e+00 -1.5445860000e+00 -1.1123520000e+00  4.9080900000e-01  1.2269250000e+00  6.3082100000e-01 -9.3409000000e-02  4.8217300000e-01  4.8846900000e-01  6.8120000000e-02  1.7345370000e+00  1.3235670000e+00
+ENERGY -1.526498664289e+02
+FORCES -3.8542000000e-03 -2.2754000000e-03  6.9540000000e-04  2.8347000000e-03  9.9206000000e-03 -4.0390000000e-03  4.2425000000e-03  1.5181000000e-03  2.2170000000e-03 -3.3805000000e-03 -2.3498000000e-03 -2.8577000000e-03 -7.8190000000e-04 -3.4663000000e-03  7.2688000000e-03  9.3930000000e-04 -3.3471000000e-03 -3.2846000000e-03
+
+JOB 15
+COORDS -3.0064100000e-01  1.3453170000e+00  5.7801800000e-01  5.5815600000e-01  1.5787990000e+00  9.3042000000e-01 -1.6423300000e-01  4.9726100000e-01  1.5561400000e-01  2.5484100000e-01 -1.2591990000e+00 -5.2883000000e-01 -1.4214000000e-02 -2.1559640000e+00 -3.2969400000e-01  3.4314800000e-01 -1.2411440000e+00 -1.4817760000e+00
+ENERGY -1.526616204740e+02
+FORCES  4.3441000000e-03 -9.3833000000e-03 -2.0509000000e-03 -2.4439000000e-03 -5.1930000000e-04 -1.1295000000e-03 -1.4345000000e-03  9.6218000000e-03  1.4247000000e-03 -1.7523000000e-03 -3.0425000000e-03 -7.7930000000e-04  1.9884000000e-03  3.5013000000e-03 -2.5233000000e-03 -7.0190000000e-04 -1.7800000000e-04  5.0583000000e-03
+
+JOB 16
+COORDS -4.5809900000e-01  1.7839300000e-01  1.4239340000e+00 -6.3163000000e-02  1.2575900000e-01  5.5359700000e-01 -1.3184730000e+00 -2.2856300000e-01  1.3220680000e+00  4.8365400000e-01 -1.1814200000e-01 -1.3077420000e+00  7.8102000000e-01  1.6499100000e-01 -2.1724040000e+00  1.8692700000e-01 -1.0186740000e+00 -1.4389960000e+00
+ENERGY -1.526597907205e+02
+FORCES  7.9370000000e-04  2.6130000000e-04 -9.1089000000e-03 -3.5276000000e-03 -2.7909000000e-03  8.0355000000e-03  2.9525000000e-03  4.4330000000e-04 -8.3200000000e-05  8.8880000000e-04  7.1900000000e-05 -3.4036000000e-03 -1.6892000000e-03 -3.0910000000e-03  2.9774000000e-03  5.8180000000e-04  5.1054000000e-03  1.5827000000e-03
+
+JOB 17
+COORDS -9.5750300000e-01 -5.0411500000e-01 -9.1258700000e-01 -1.2147060000e+00 -7.3333300000e-01 -1.8056360000e+00 -1.0227250000e+00 -1.3256570000e+00 -4.2571200000e-01  9.8962400000e-01  5.8974200000e-01  9.9230700000e-01  2.3237300000e-01  7.5598300000e-01  4.3091000000e-01  1.4729440000e+00 -1.0429700000e-01  5.4403900000e-01
+ENERGY -1.526595312095e+02
+FORCES -1.5220000000e-03 -3.7619000000e-03 -8.5340000000e-04  1.4246000000e-03  6.6000000000e-06  4.3293000000e-03  8.7910000000e-04  3.6950000000e-03 -3.2066000000e-03 -4.2726000000e-03 -3.1590000000e-03 -8.9613000000e-03  3.7103000000e-03  2.0676000000e-03  5.7145000000e-03 -2.1930000000e-04  1.1517000000e-03  2.9775000000e-03
+
+JOB 18
+COORDS -6.9526800000e-01 -4.5976200000e-01  1.1326380000e+00 -9.0464700000e-01 -1.3982100000e-01  2.0101520000e+00 -1.1473040000e+00 -1.3011550000e+00  1.0697710000e+00  7.7100500000e-01  5.4680000000e-01 -1.1901430000e+00  3.2565200000e-01  2.0853500000e-01 -4.1331000000e-01  5.9222700000e-01 -1.0197600000e-01 -1.8708480000e+00
+ENERGY -1.526609233614e+02
+FORCES -1.6653000000e-03 -3.1020000000e-04  2.8001000000e-03 -3.7300000000e-05 -2.9195000000e-03 -3.5633000000e-03  1.9685000000e-03  4.0186000000e-03  5.6250000000e-04 -5.2733000000e-03 -4.6892000000e-03  6.0852000000e-03  4.7916000000e-03  2.3891000000e-03 -8.2474000000e-03  2.1570000000e-04  1.5112000000e-03  2.3629000000e-03
+
+JOB 19
+COORDS -8.1660200000e-01 -8.2316300000e-01  9.1385200000e-01 -1.1985140000e+00 -1.6096400000e-01  1.4899320000e+00 -1.4557620000e+00 -9.2520600000e-01  2.0866200000e-01  8.6330800000e-01  8.3799700000e-01 -9.6896600000e-01  4.3210600000e-01  9.1166600000e-01 -1.1757300000e-01  1.4312910000e+00  7.2131000000e-02 -8.8484500000e-01
+ENERGY -1.526571987886e+02
+FORCES -5.2306000000e-03  2.4370000000e-04 -2.4636000000e-03  3.5796000000e-03 -1.3140000000e-03 -4.0873000000e-03  2.6490000000e-03  4.6500000000e-04  4.1773000000e-03 -1.5617000000e-03 -7.5859000000e-03  7.6253000000e-03  1.1118000000e-03  4.9339000000e-03 -3.0783000000e-03 -5.4810000000e-04  3.2573000000e-03 -2.1735000000e-03
+
+JOB 20
+COORDS -7.4800100000e-01  1.3214940000e+00  1.8278300000e-01 -6.3013800000e-01  3.7958600000e-01  5.9696000000e-02 -9.0611400000e-01  1.6607190000e+00 -6.9821600000e-01  6.8744300000e-01 -1.2763860000e+00 -1.3871000000e-01  1.3563230000e+00 -1.4482340000e+00 -8.0150800000e-01  1.1606140000e+00 -1.3052080000e+00  6.9286100000e-01
+ENERGY -1.526601838166e+02
+FORCES  2.9496000000e-03 -7.2262000000e-03 -4.7784000000e-03 -4.7736000000e-03  7.3776000000e-03  2.6743000000e-03  6.6470000000e-04 -9.4030000000e-04  2.6293000000e-03  5.8708000000e-03  8.0060000000e-04  3.8980000000e-04 -2.4401000000e-03  2.4350000000e-04  3.2941000000e-03 -2.2714000000e-03 -2.5510000000e-04 -4.2091000000e-03
+
+JOB 21
+COORDS -3.2536000000e-01 -8.3812200000e-01 -1.2654690000e+00 -5.1449100000e-01 -1.5755000000e+00 -6.8518000000e-01 -3.7385400000e-01 -6.8207000000e-02 -6.9880200000e-01  3.2908100000e-01  7.7955500000e-01  1.2348450000e+00  1.1325580000e+00  9.7892200000e-01  7.5431500000e-01 -2.6430000000e-01  1.4990250000e+00  1.0192200000e+00
+ENERGY -1.526574732293e+02
+FORCES -1.2400000000e-05  8.9590000000e-04  1.0530200000e-02  2.9320000000e-04  1.3197000000e-03 -3.4727000000e-03 -7.3310000000e-04  5.2900000000e-04 -6.8908000000e-03  3.7222000000e-03  4.2215000000e-03  1.7610000000e-04 -5.6199000000e-03 -1.1023000000e-03  1.4283000000e-03  2.3499000000e-03 -5.8637000000e-03 -1.7712000000e-03
+
+JOB 22
+COORDS -1.9857600000e-01 -1.5147050000e+00  3.6305000000e-02  3.8138600000e-01 -2.1493240000e+00 -3.8456800000e-01  2.5292000000e-01 -6.7619900000e-01 -6.0080000000e-02  1.4089600000e-01  1.4486910000e+00 -4.7236000000e-02 -5.1956700000e-01  2.1413190000e+00 -6.4173000000e-02  6.8755400000e-01  1.6568330000e+00  7.1044100000e-01
+ENERGY -1.526594632080e+02
+FORCES  2.3030000000e-03  5.8075000000e-03 -2.5739000000e-03 -1.5912000000e-03  3.0970000000e-03  1.4252000000e-03  1.7117000000e-03 -9.2584000000e-03  2.0510000000e-03 -4.0459000000e-03  4.2574000000e-03  2.2419000000e-03  3.9629000000e-03 -1.5883000000e-03  7.1250000000e-04 -2.3406000000e-03 -2.3151000000e-03 -3.8566000000e-03
+
+JOB 23
+COORDS  1.1876220000e+00 -6.2826500000e-01  6.5096300000e-01  1.3016550000e+00 -1.4457300000e-01  1.4690520000e+00  6.8916900000e-01 -1.4066190000e+00  8.9984500000e-01 -1.1788800000e+00  7.1730100000e-01 -7.2912300000e-01 -3.3535500000e-01  2.8479200000e-01 -5.9633300000e-01 -1.8239480000e+00  1.4500000000e-02 -6.5044200000e-01
+ENERGY -1.526595748583e+02
+FORCES -4.1480000000e-04 -4.7420000000e-04  6.9327000000e-03 -3.0370000000e-04 -3.1680000000e-03 -3.6532000000e-03  1.0558000000e-03  4.4019000000e-03 -2.2601000000e-03  5.5807000000e-03 -5.6347000000e-03  2.6045000000e-03 -8.3132000000e-03  2.9504000000e-03 -3.9614000000e-03  2.3953000000e-03  1.9247000000e-03  3.3760000000e-04
+
+JOB 24
+COORDS -3.0452800000e-01  1.3955250000e+00 -5.3484600000e-01 -1.0998630000e+00  1.9217940000e+00 -4.5289300000e-01 -3.8555000000e-01  7.3016700000e-01  1.4850300000e-01  3.6169900000e-01 -1.3167880000e+00  4.8503700000e-01 -4.1469900000e-01 -1.8762420000e+00  5.0621600000e-01  1.0982640000e+00 -1.9280410000e+00  4.9375500000e-01
+ENERGY -1.526578841606e+02
+FORCES -1.4750000000e-04 -4.3162000000e-03  3.8487000000e-03  2.6093000000e-03 -3.0791000000e-03  2.5400000000e-05 -4.1112000000e-03  7.1291000000e-03 -2.5783000000e-03  2.4806000000e-03 -4.5878000000e-03 -1.7648000000e-03  3.0618000000e-03  3.5180000000e-03  3.6590000000e-04 -3.8930000000e-03  1.3359000000e-03  1.0310000000e-04
+
+JOB 25
+COORDS -1.1198530000e+00  7.6269000000e-01  8.1051300000e-01 -1.5667650000e+00  4.2400800000e-01  3.4758000000e-02 -2.4182600000e-01  3.8410500000e-01  7.6608500000e-01  1.0372400000e+00 -7.3819400000e-01 -7.8312900000e-01  1.4968120000e+00 -9.9921500000e-01  1.4927000000e-02  1.6415040000e+00 -1.4053400000e-01 -1.2234700000e+00
+ENERGY -1.526576127030e+02
+FORCES  4.4336000000e-03 -5.7164000000e-03 -7.9959000000e-03 -1.0174000000e-03  2.3853000000e-03  3.2727000000e-03 -1.5206000000e-03  2.2659000000e-03  5.8185000000e-03  5.4776000000e-03  3.4770000000e-04 -1.1567000000e-03 -4.3887000000e-03  3.6547000000e-03 -2.5502000000e-03 -2.9844000000e-03 -2.9371000000e-03  2.6116000000e-03
+
+JOB 26
+COORDS  7.6502500000e-01 -8.5919300000e-01  1.0374200000e+00  6.6257100000e-01 -4.9861500000e-01  1.9181690000e+00  4.3896700000e-01 -1.7135900000e-01  4.5707400000e-01 -7.6002800000e-01  7.4336500000e-01 -1.0201500000e+00 -6.5025100000e-01  1.6413670000e+00 -7.0746200000e-01 -5.3526300000e-01  7.8375700000e-01 -1.9497100000e+00
+ENERGY -1.526591952929e+02
+FORCES -5.0053000000e-03  4.6940000000e-03 -3.5063000000e-03  7.7300000000e-05 -3.1920000000e-04 -3.4625000000e-03  5.9459000000e-03 -2.3235000000e-03  8.0432000000e-03 -7.0280000000e-04  3.0409000000e-03 -5.7242000000e-03  1.1295000000e-03 -5.8021000000e-03  7.4400000000e-05 -1.4446000000e-03  7.0990000000e-04  4.5754000000e-03
+
+JOB 27
+COORDS -1.0303700000e-01 -7.4235100000e-01  1.2632210000e+00  2.6519500000e-01 -1.5088120000e+00  1.7027370000e+00 -8.5654600000e-01 -4.9682200000e-01  1.8000360000e+00  1.8151300000e-01  7.7381600000e-01 -1.3519920000e+00 -1.5525000000e-02  9.5610200000e-01 -4.3320000000e-01 -6.7344200000e-01  6.2464700000e-01 -1.7557650000e+00
+ENERGY -1.526554436995e+02
+FORCES  6.0470000000e-04 -4.4523000000e-03  3.1081000000e-03 -2.4042000000e-03  3.2252000000e-03 -1.3665000000e-03  3.3769000000e-03  2.2990000000e-04 -3.8411000000e-03 -3.6349000000e-03 -3.8847000000e-03  6.1472000000e-03 -7.5900000000e-04  3.9449000000e-03 -5.1708000000e-03  2.8165000000e-03  9.3700000000e-04  1.1230000000e-03
+
+JOB 28
+COORDS  4.3670000000e-01  8.4554300000e-01  1.2282120000e+00 -6.9535000000e-02  1.3596380000e+00  1.8572300000e+00  1.7289400000e-01 -6.0094000000e-02  1.3908790000e+00 -3.2824400000e-01 -8.5127100000e-01 -1.2796190000e+00 -6.2473000000e-01 -1.7975600000e-01 -6.6529400000e-01 -1.1000440000e+00 -1.0486590000e+00 -1.8102740000e+00
+ENERGY -1.526570470993e+02
+FORCES  3.5500000000e-04 -1.6071000000e-03  5.9332000000e-03  1.8286000000e-03 -2.6456000000e-03 -3.4529000000e-03 -1.2534000000e-03  5.9134000000e-03 -2.7348000000e-03 -2.6170000000e-03  4.4590000000e-03 -2.0700000000e-05 -1.2292000000e-03 -7.4064000000e-03 -2.2835000000e-03  2.9159000000e-03  1.2867000000e-03  2.5588000000e-03
+
+JOB 29
+COORDS -7.3685500000e-01 -8.9812100000e-01 -9.7690300000e-01 -1.4741810000e+00 -1.5039660000e+00 -1.0512930000e+00 -8.0093000000e-01 -3.4534500000e-01 -1.7557250000e+00  8.2456500000e-01  8.9498200000e-01  1.0595400000e+00  4.1803400000e-01  1.6983000000e+00  7.3451200000e-01  3.4886200000e-01  1.9034200000e-01  6.1974400000e-01
+ENERGY -1.526602111315e+02
+FORCES -3.7199000000e-03 -1.6311000000e-03 -4.4284000000e-03  3.1780000000e-03  3.0273000000e-03 -6.5440000000e-04 -2.9660000000e-04 -2.2525000000e-03  4.0075000000e-03 -5.5216000000e-03 -2.7091000000e-03 -4.9467000000e-03  1.6400000000e-03 -2.1449000000e-03  7.7110000000e-04  4.7202000000e-03  5.7103000000e-03  5.2508000000e-03
+
+JOB 30
+COORDS  1.0464320000e+00 -8.4659000000e-01 -9.3434100000e-01  3.6560600000e-01 -1.9259900000e-01 -7.7621500000e-01  1.8506480000e+00 -4.3806500000e-01 -6.1406700000e-01 -1.0629550000e+00  7.5022400000e-01  8.6053000000e-01 -1.0423980000e+00  5.3523600000e-01  1.7930480000e+00 -8.8441200000e-01  1.6900240000e+00  8.2692100000e-01
+ENERGY -1.526583099816e+02
+FORCES -2.8021000000e-03  5.2355000000e-03  4.5967000000e-03  5.8779000000e-03 -2.6470000000e-03 -5.2803000000e-03 -2.4400000000e-03 -1.3893000000e-03 -1.1533000000e-03 -6.9150000000e-04  1.5282000000e-03  6.4164000000e-03 -4.3190000000e-04  2.1824000000e-03 -3.8775000000e-03  4.8760000000e-04 -4.9097000000e-03 -7.0210000000e-04
+
+JOB 31
+COORDS  1.3771980000e+00  5.0632000000e-01 -5.9359500000e-01  2.3171660000e+00  6.7830500000e-01 -6.4940100000e-01  1.2494230000e+00  1.5490000000e-01  2.8754600000e-01 -1.3814690000e+00 -5.3217600000e-01  5.9327700000e-01 -1.3364820000e+00 -6.5120700000e-01 -3.5542700000e-01 -2.0395960000e+00  1.5151900000e-01  7.1842400000e-01
+ENERGY -1.526586065116e+02
+FORCES  1.9831000000e-03 -1.0087000000e-03  4.5707000000e-03 -3.8844000000e-03 -7.1440000000e-04  7.7690000000e-04  3.9322000000e-03  2.0292000000e-03 -4.9265000000e-03 -2.8746000000e-03  3.0334000000e-03 -5.0043000000e-03 -1.4867000000e-03 -4.0070000000e-04  4.9318000000e-03  2.3304000000e-03 -2.9388000000e-03 -3.4850000000e-04
+
+JOB 32
+COORDS -3.1961900000e-01 -1.0158260000e+00 -1.1219700000e+00  2.7593200000e-01 -1.1388650000e+00 -1.8611670000e+00 -5.3126900000e-01 -1.9037830000e+00 -8.3392600000e-01  3.5898800000e-01  1.0933920000e+00  1.1563270000e+00 -3.5739200000e-01  1.3955710000e+00  1.7146460000e+00 -6.0336000000e-02  5.1327700000e-01  5.2082400000e-01
+ENERGY -1.526607052203e+02
+FORCES  2.8003000000e-03 -4.9693000000e-03 -3.5800000000e-03 -3.1696000000e-03 -5.7010000000e-04  2.9818000000e-03  8.7400000000e-04  4.0497000000e-03 -1.4501000000e-03 -4.2617000000e-03 -3.1156000000e-03 -3.5490000000e-03  2.2345000000e-03 -1.5418000000e-03 -2.0164000000e-03  1.5225000000e-03  6.1472000000e-03  7.6138000000e-03
+
+JOB 33
+COORDS  9.0167900000e-01  7.9865900000e-01  9.9337700000e-01  1.6202750000e+00  1.1010190000e+00  4.3801200000e-01  6.8697200000e-01  1.5541550000e+00  1.5405130000e+00 -9.9052500000e-01 -8.4476700000e-01 -9.9351900000e-01 -2.7267400000e-01 -3.8076800000e-01 -5.6267600000e-01 -5.6723200000e-01 -1.5739530000e+00 -1.4466670000e+00
+ENERGY -1.526592968172e+02
+FORCES  1.5190000000e-03  6.2665000000e-03  3.3034000000e-03 -4.3339000000e-03 -2.3803000000e-03  1.4805000000e-03  2.3007000000e-03 -3.0331000000e-03 -2.3120000000e-03  5.1442000000e-03  6.8430000000e-04  3.4701000000e-03 -3.6639000000e-03 -4.4710000000e-03 -7.5378000000e-03 -9.6600000000e-04  2.9336000000e-03  1.5958000000e-03
+
+JOB 34
+COORDS  4.8958200000e-01  1.2684600000e+00 -7.5968500000e-01  1.9428400000e-01  1.0903310000e+00 -1.6526020000e+00  1.0025030000e+00  2.0733360000e+00 -8.3261600000e-01 -4.9236200000e-01 -1.3581130000e+00  8.4666400000e-01  6.9995000000e-02 -9.8320600000e-01  1.6885000000e-01 -1.2150860000e+00 -7.3605800000e-01  9.3002000000e-01
+ENERGY -1.526582678949e+02
+FORCES  2.1968000000e-03  5.0541000000e-03 -3.4750000000e-03  1.2882000000e-03 -3.1850000000e-04  4.7972000000e-03 -2.7084000000e-03 -3.2916000000e-03 -4.3900000000e-04  1.1353000000e-03  7.8696000000e-03 -2.5716000000e-03 -3.0027000000e-03 -5.7353000000e-03  1.4942000000e-03  1.0907000000e-03 -3.5783000000e-03  1.9430000000e-04
+
+JOB 35
+COORDS  1.1932530000e+00 -1.1865390000e+00  1.6476100000e-01  7.2911400000e-01 -1.3285770000e+00  9.8976500000e-01  5.6685900000e-01 -7.1581700000e-01 -3.8504200000e-01 -1.1293890000e+00  1.1047110000e+00 -2.2036100000e-01 -7.1854000000e-01  1.2759810000e+00  6.2704800000e-01 -1.5501930000e+00  1.9319250000e+00 -4.5461200000e-01
+ENERGY -1.526582680520e+02
+FORCES -6.0987000000e-03  1.3761000000e-03 -8.9100000000e-04  2.2011000000e-03  1.4652000000e-03 -2.3267000000e-03  5.3048000000e-03 -3.7512000000e-03  3.5744000000e-03 -1.1940000000e-03  6.1873000000e-03  1.8098000000e-03 -2.0224000000e-03 -2.0044000000e-03 -3.9408000000e-03  1.8092000000e-03 -3.2731000000e-03  1.7743000000e-03
+
+JOB 36
+COORDS -5.9790000000e-03  1.4305100000e+00 -6.5843700000e-01  2.3496700000e-01  1.7074710000e+00 -1.5424450000e+00 -6.2886100000e-01  2.0935070000e+00 -3.6063500000e-01 -3.5082000000e-02 -1.4903450000e+00  7.0659900000e-01  5.2170400000e-01 -7.1437800000e-01  6.4259700000e-01  5.5351500000e-01 -2.2235300000e+00  5.2708400000e-01
+ENERGY -1.526571946729e+02
+FORCES -3.2423000000e-03  3.6973000000e-03 -3.1619000000e-03 -9.6400000000e-04 -8.5000000000e-04  3.7704000000e-03  3.0063000000e-03 -2.3183000000e-03 -1.6196000000e-03  3.9879000000e-03  3.2551000000e-03 -2.4226000000e-03 -6.7980000000e-04 -6.6361000000e-03  3.1493000000e-03 -2.1081000000e-03  2.8520000000e-03  2.8430000000e-04
+
+JOB 37
+COORDS  1.0347640000e+00 -1.3148340000e+00 -1.7902600000e-01  1.0318090000e+00 -1.7466280000e+00  6.7524400000e-01  8.0638700000e-01 -4.0494700000e-01  1.1187000000e-02 -9.8098200000e-01  1.2352640000e+00  1.2606900000e-01 -1.6426390000e+00  1.3820440000e+00 -5.4987200000e-01 -1.0109410000e+00  2.0246330000e+00  6.6665300000e-01
+ENERGY -1.526591766427e+02
+FORCES -3.5815000000e-03  4.2598000000e-03  4.0642000000e-03  3.6820000000e-04  1.2706000000e-03 -2.8635000000e-03  5.3470000000e-03 -6.2689000000e-03 -6.1670000000e-04 -4.8232000000e-03  3.9516000000e-03 -1.7764000000e-03  2.5289000000e-03  4.3220000000e-04  3.5355000000e-03  1.6070000000e-04 -3.6453000000e-03 -2.3430000000e-03
+
+JOB 38
+COORDS  2.3266000000e-02 -1.8454100000e-01  1.6310640000e+00  3.6636500000e-01  6.8840200000e-01  1.8220760000e+00  8.0124900000e-01 -7.3723700000e-01  1.5568840000e+00 -1.3619800000e-01  1.2818400000e-01 -1.6235650000e+00  7.5516000000e-01 -8.5406000000e-02 -1.3477180000e+00 -4.5711000000e-02  9.4281600000e-01 -2.1179520000e+00
+ENERGY -1.526511982018e+02
+FORCES  3.0932000000e-03  1.7346000000e-03 -3.9660000000e-04 -9.4710000000e-04 -3.6754000000e-03 -7.8470000000e-04 -2.8306000000e-03  2.5749000000e-03 -8.3180000000e-04  3.6069000000e-03  1.9224000000e-03  1.2752000000e-03 -2.4479000000e-03  5.9360000000e-04 -1.8351000000e-03 -4.7450000000e-04 -3.1502000000e-03  2.5730000000e-03
+
+JOB 39
+COORDS -3.4604400000e-01  1.2221240000e+00 -9.9652300000e-01 -1.6498500000e-01  1.9289230000e+00 -1.6161080000e+00 -5.8513300000e-01  1.6697970000e+00 -1.8494600000e-01  3.7177600000e-01 -1.2480450000e+00  1.0353770000e+00  8.4150200000e-01 -1.5288480000e+00  2.5005000000e-01 -5.0506200000e-01 -1.6188740000e+00  9.3602100000e-01
+ENERGY -1.526553267659e+02
+FORCES  9.4000000000e-06  4.5238000000e-03  2.9153000000e-03 -3.6810000000e-04 -3.2989000000e-03  2.6182000000e-03 -1.0720000000e-04 -5.5060000000e-04 -4.4984000000e-03 -1.7010000000e-03 -1.0223000000e-03 -6.4637000000e-03 -1.0491000000e-03 -8.1740000000e-04  4.1184000000e-03  3.2160000000e-03  1.1654000000e-03  1.3102000000e-03
+
+JOB 40
+COORDS -9.3965300000e-01 -2.9011100000e-01  1.3414630000e+00 -1.0877250000e+00 -6.8301400000e-01  4.8126900000e-01 -1.7977550000e+00 -3.0964700000e-01  1.7651500000e+00  9.3039300000e-01  3.0223700000e-01 -1.3237530000e+00  1.4764060000e+00  1.8828200000e-01 -5.4586100000e-01  1.5360240000e+00  6.0678700000e-01 -1.9995440000e+00
+ENERGY -1.526572520323e+02
+FORCES -4.3433000000e-03 -9.4710000000e-04 -3.1398000000e-03 -9.7100000000e-05  3.5660000000e-04  5.7869000000e-03  3.1710000000e-03  2.6400000000e-05 -1.8250000000e-03  5.1222000000e-03  1.8227000000e-03  1.0985000000e-03 -1.6149000000e-03 -2.2090000000e-04 -4.8736000000e-03 -2.2380000000e-03 -1.0376000000e-03  2.9530000000e-03
+
+JOB 41
+COORDS -5.4077800000e-01  1.2050750000e+00 -1.0959140000e+00 -6.9797000000e-01  1.9193950000e+00 -4.7844400000e-01 -1.4003820000e+00  1.0221970000e+00 -1.4752130000e+00  6.1589800000e-01 -1.2828290000e+00  1.1145690000e+00  7.0943000000e-02 -1.3369000000e+00  3.2950000000e-01  7.0434600000e-01 -3.4439400000e-01  1.2811450000e+00
+ENERGY -1.526567637616e+02
+FORCES -4.7531000000e-03  4.0867000000e-03 -6.3620000000e-04  1.0832000000e-03 -3.8263000000e-03 -2.0894000000e-03  3.9884000000e-03  2.6120000000e-04  2.0359000000e-03 -1.8870000000e-03  5.4881000000e-03 -5.0793000000e-03  1.4334000000e-03 -2.5969000000e-03  4.0070000000e-03  1.3510000000e-04 -3.4128000000e-03  1.7620000000e-03
+
+JOB 42
+COORDS  1.2234560000e+00  7.7441400000e-01 -9.2142600000e-01  1.9599350000e+00  8.5834500000e-01 -3.1579600000e-01  1.5587160000e+00  1.1060900000e+00 -1.7543860000e+00 -1.2860090000e+00 -8.5276900000e-01  9.7675700000e-01 -1.0535970000e+00 -8.1995900000e-01  4.8780000000e-02 -1.4102240000e+00  6.3141000000e-02  1.2255760000e+00
+ENERGY -1.526574310493e+02
+FORCES  5.7773000000e-03  1.7574000000e-03 -6.3700000000e-04 -2.9387000000e-03  2.8480000000e-04 -3.0583000000e-03 -1.4295000000e-03 -1.4607000000e-03  3.6259000000e-03  2.2231000000e-03  4.9808000000e-03 -4.3747000000e-03 -3.3131000000e-03 -1.9576000000e-03  4.1880000000e-03 -3.1910000000e-04 -3.6047000000e-03  2.5610000000e-04
+
+JOB 43
+COORDS -4.7275200000e-01 -1.2193420000e+00  1.3010170000e+00  4.5216400000e-01 -1.1896400000e+00  1.5457230000e+00 -4.9357200000e-01 -8.9310300000e-01  4.0136900000e-01  3.6565600000e-01  1.2224520000e+00 -1.2798830000e+00  6.9275100000e-01  3.2996500000e-01 -1.3926070000e+00  1.1236500000e+00  1.7186110000e+00 -9.7084600000e-01
+ENERGY -1.526539013904e+02
+FORCES  2.7121000000e-03  3.4301000000e-03 -2.5378000000e-03 -3.3942000000e-03 -3.8320000000e-04 -1.3866000000e-03  1.4837000000e-03 -3.9828000000e-03  2.9538000000e-03  5.5129000000e-03  6.7570000000e-04 -3.4290000000e-04 -3.0420000000e-03  2.7726000000e-03  2.8530000000e-03 -3.2725000000e-03 -2.5125000000e-03 -1.5396000000e-03
+
+JOB 44
+COORDS -1.2516130000e+00 -2.0131300000e-01 -1.2627390000e+00 -6.2863900000e-01 -9.2407000000e-01 -1.1868620000e+00 -1.4435740000e+00 -1.4722300000e-01 -2.1989320000e+00  1.2631270000e+00  1.9673100000e-01  1.2826450000e+00  9.5170300000e-01  1.0282060000e+00  9.2501900000e-01  9.1460900000e-01  1.7322900000e-01  2.1738320000e+00
+ENERGY -1.526567238768e+02
+FORCES  2.2371000000e-03 -3.7579000000e-03 -2.9221000000e-03 -3.8014000000e-03  2.8640000000e-03 -1.8404000000e-03  9.5110000000e-04 -9.3000000000e-05  3.8313000000e-03 -3.7382000000e-03  4.0818000000e-03  1.9130000000e-03  2.6977000000e-03 -3.1315000000e-03  2.3835000000e-03  1.6537000000e-03  3.6600000000e-05 -3.3652000000e-03
+
+JOB 45
+COORDS  1.3421580000e+00  5.5606900000e-01 -1.1354100000e+00  1.2726120000e+00  2.7630200000e-01 -2.0481670000e+00  5.8086100000e-01  1.1199220000e+00 -9.9855600000e-01 -1.3391290000e+00 -5.2197600000e-01  1.1688970000e+00 -1.5477750000e+00 -1.4343950000e+00  1.3693710000e+00 -3.8541100000e-01 -5.0587200000e-01  1.0889250000e+00
+ENERGY -1.526572732690e+02
+FORCES -3.5464000000e-03  1.8363000000e-03 -4.7744000000e-03  5.3670000000e-04  1.2952000000e-03  3.6470000000e-03  4.0854000000e-03 -2.8602000000e-03  1.6000000000e-05  3.8785000000e-03 -4.2956000000e-03  4.7940000000e-04  7.0460000000e-04  3.5046000000e-03 -7.1250000000e-04 -5.6588000000e-03  5.1980000000e-04  1.3446000000e-03
+
+JOB 46
+COORDS -1.4608210000e+00  6.6752500000e-01 -9.2201100000e-01 -1.3854540000e+00  1.5872340000e+00 -1.1763490000e+00 -1.4073300000e+00  6.7764900000e-01  3.3640000000e-02  1.5097850000e+00 -7.4322000000e-01  8.9471000000e-01  1.2982620000e+00  1.1676400000e-01  5.3150500000e-01  6.6031700000e-01 -1.1659270000e+00  1.0210220000e+00
+ENERGY -1.526540793028e+02
+FORCES -1.5056000000e-03  4.6002000000e-03  1.7691000000e-03  1.1260000000e-04 -4.2202000000e-03  1.4027000000e-03  1.6372000000e-03 -9.6230000000e-04 -4.0423000000e-03 -4.3761000000e-03  9.7730000000e-04 -3.1475000000e-03  9.4940000000e-04 -2.7613000000e-03  3.2680000000e-03  3.1825000000e-03  2.3663000000e-03  7.5010000000e-04
+
+JOB 47
+COORDS -7.2422600000e-01  1.7204310000e+00  2.1897300000e-01  1.6423500000e-01  1.7856610000e+00 -1.3119200000e-01 -6.1015300000e-01  1.7451390000e+00  1.1690300000e+00  7.1854300000e-01 -1.7315100000e+00 -2.2016100000e-01  2.9920600000e-01 -9.1483300000e-01 -4.9113800000e-01  1.7305200000e-01 -2.4194240000e+00 -6.0153500000e-01
+ENERGY -1.526566327673e+02
+FORCES  3.6930000000e-03  2.7799000000e-03  4.1719000000e-03 -4.3409000000e-03 -2.1610000000e-03  8.7360000000e-04 -5.8820000000e-04  1.7900000000e-04 -4.4144000000e-03 -5.3025000000e-03  7.5000000000e-04 -2.4989000000e-03  4.2191000000e-03 -4.0418000000e-03  3.8480000000e-04  2.3195000000e-03  2.4939000000e-03  1.4831000000e-03
+
+JOB 48
+COORDS  1.5335280000e+00 -1.0318900000e-01  1.1293070000e+00  1.1130810000e+00 -2.6461700000e-01  2.8467900000e-01  1.9905210000e+00  7.3001000000e-01  1.0145500000e+00 -1.4824090000e+00  6.5346000000e-02 -1.0338150000e+00 -1.4972760000e+00  6.5751000000e-02 -1.9909000000e+00 -2.4034220000e+00  7.9090000000e-03 -7.7951700000e-01
+ENERGY -1.526567835894e+02
+FORCES -2.0618000000e-03  2.8471000000e-03 -4.6316000000e-03  4.9737000000e-03  9.6200000000e-05  3.9334000000e-03 -1.2881000000e-03 -3.1256000000e-03  5.5690000000e-04 -5.8012000000e-03 -2.0000000000e-04 -2.1756000000e-03  5.6670000000e-04  1.4700000000e-05  4.1881000000e-03  3.6107000000e-03  3.6750000000e-04 -1.8713000000e-03
+
+JOB 49
+COORDS  7.2029000000e-02 -8.2516000000e-01 -1.7361310000e+00 -3.2950200000e-01 -3.5528100000e-01 -1.0052290000e+00  1.9564500000e-01 -1.7163960000e+00 -1.4095570000e+00 -6.1219000000e-02  7.8070800000e-01  1.6954700000e+00 -6.1614800000e-01  1.2032180000e+00  1.0399010000e+00  4.9914300000e-01  1.4835330000e+00  2.0245050000e+00
+ENERGY -1.526549466252e+02
+FORCES -1.4020000000e-04 -2.3638000000e-03  5.9692000000e-03 -1.3410000000e-04 -2.3860000000e-04 -4.2090000000e-03 -6.0960000000e-04  3.1986000000e-03 -2.1739000000e-03  1.0887000000e-03  6.1748000000e-03  3.4230000000e-04  2.5779000000e-03 -3.8165000000e-03  1.1422000000e-03 -2.7827000000e-03 -2.9546000000e-03 -1.0707000000e-03
+
+JOB 50
+COORDS -1.5828880000e+00  1.1182990000e+00  1.7398000000e-02 -6.8753300000e-01  1.4564810000e+00  3.1724000000e-02 -1.8791810000e+00  1.2615600000e+00 -8.8144500000e-01  1.5483900000e+00 -1.0925290000e+00  7.5542000000e-02  1.0902740000e+00 -1.2327930000e+00 -7.5312400000e-01  2.0303310000e+00 -1.9061110000e+00  2.2403100000e-01
+ENERGY -1.526548140804e+02
+FORCES  3.1216000000e-03  2.2866000000e-03 -2.3288000000e-03 -4.7449000000e-03 -7.0100000000e-04 -1.0148000000e-03  1.4315000000e-03 -1.1394000000e-03  3.4247000000e-03 -5.5580000000e-04 -4.8147000000e-03 -2.1614000000e-03  2.6926000000e-03  1.1026000000e-03  2.8594000000e-03 -1.9450000000e-03  3.2659000000e-03 -7.7920000000e-04
+
+JOB 51
+COORDS  1.4371050000e+00  1.2460000000e+00  6.9759000000e-02  2.3636590000e+00  1.1373480000e+00  2.8406200000e-01  1.4238910000e+00  1.3777420000e+00 -8.7823900000e-01 -1.5276840000e+00 -1.2973590000e+00  1.3560000000e-03 -1.7902380000e+00 -3.8384700000e-01 -1.1174900000e-01 -6.2086700000e-01 -1.3259720000e+00 -3.0375900000e-01
+ENERGY -1.526556674841e+02
+FORCES  5.1962000000e-03  1.4627000000e-03 -2.0804000000e-03 -3.9997000000e-03  4.3000000000e-04 -1.2374000000e-03 -7.3390000000e-04 -1.4441000000e-03  4.1083000000e-03  3.9697000000e-03  4.8887000000e-03 -3.9050000000e-04 -1.1390000000e-04 -3.9561000000e-03 -3.5900000000e-04 -4.3184000000e-03 -1.3812000000e-03 -4.0900000000e-05
+
+JOB 52
+COORDS -1.8949510000e+00 -1.7806400000e-01 -3.3810200000e-01 -2.7181130000e+00  8.1538000000e-02 -7.5191800000e-01 -1.2199430000e+00  7.1186000000e-02 -9.6934700000e-01  1.9264810000e+00  1.9796500000e-01  4.4182200000e-01  1.9390820000e+00  1.1533300000e-01 -5.1172100000e-01  1.5265610000e+00 -6.1601400000e-01  7.4798200000e-01
+ENERGY -1.526542384301e+02
+FORCES -1.0363000000e-03  3.1363000000e-03 -3.9275000000e-03  3.4949000000e-03 -1.0747000000e-03  1.6380000000e-03 -2.5208000000e-03 -2.1364000000e-03  1.9946000000e-03 -1.4674000000e-03 -4.1493000000e-03 -1.3707000000e-03 -9.8860000000e-04  7.1550000000e-04  3.5078000000e-03  2.5182000000e-03  3.5086000000e-03 -1.8422000000e-03
+
+JOB 53
+COORDS  1.2859810000e+00  1.4816890000e+00 -2.2250000000e-02  1.8966650000e+00  1.9487520000e+00 -5.9246900000e-01  6.8745500000e-01  2.1584590000e+00  2.9394500000e-01 -1.2245570000e+00 -1.5547480000e+00  7.3942000000e-02 -1.6555430000e+00 -2.1907040000e+00 -4.9706000000e-01 -1.7912550000e+00 -7.8385900000e-01  4.5402000000e-02
+ENERGY -1.526526385198e+02
+FORCES  4.6870000000e-04  4.3696000000e-03 -9.5360000000e-04 -2.5557000000e-03 -1.9871000000e-03  2.3731000000e-03  1.9848000000e-03 -2.9681000000e-03 -1.4401000000e-03 -3.2828000000e-03  1.3356000000e-03 -2.7676000000e-03  1.8428000000e-03  2.4944000000e-03  2.3467000000e-03  1.5422000000e-03 -3.2445000000e-03  4.4160000000e-04
+
+JOB 54
+COORDS  1.3389150000e+00 -6.3421100000e-01 -1.5283130000e+00  5.6743700000e-01 -1.5873700000e-01 -1.8364960000e+00  1.3110980000e+00 -5.4502000000e-01 -5.7568300000e-01 -1.2322500000e+00  5.9189600000e-01  1.4535120000e+00 -1.9642380000e+00  1.1819600000e+00  1.2739310000e+00 -1.4775620000e+00  1.4480500000e-01  2.2635520000e+00
+ENERGY -1.526564626795e+02
+FORCES -4.2300000000e-03  2.7289000000e-03  3.8606000000e-03  3.2321000000e-03 -1.8334000000e-03 -2.6800000000e-05  1.6506000000e-03 -1.1274000000e-03 -4.4565000000e-03 -4.7045000000e-03  7.9040000000e-04  3.3673000000e-03  3.0443000000e-03 -2.5541000000e-03  6.5330000000e-04  1.0075000000e-03  1.9956000000e-03 -3.3981000000e-03
+
+JOB 55
+COORDS  1.2193400000e+00 -1.2657470000e+00 -1.0058160000e+00  1.0706060000e+00 -2.1773900000e+00 -7.5478400000e-01  1.0274830000e+00 -1.2406020000e+00 -1.9432550000e+00 -1.2091830000e+00  1.2496800000e+00  1.0155630000e+00 -1.7368230000e+00  2.0193950000e+00  8.0256900000e-01 -5.7619300000e-01  1.5638160000e+00  1.6612200000e+00
+ENERGY -1.526532529293e+02
+FORCES -2.6810000000e-03 -3.1696000000e-03 -2.5225000000e-03  1.0309000000e-03  3.5083000000e-03 -1.0535000000e-03  1.1910000000e-03 -2.5190000000e-04  3.5327000000e-03  1.5485000000e-03  4.1416000000e-03  1.5443000000e-03  2.0150000000e-03 -3.2410000000e-03  6.7710000000e-04 -3.1044000000e-03 -9.8720000000e-04 -2.1781000000e-03
+
+JOB 56
+COORDS -1.0811280000e+00 -1.6709550000e+00 -4.0718100000e-01 -1.8390260000e+00 -1.7314550000e+00 -9.8869700000e-01 -1.0536830000e+00 -2.5167900000e+00  4.0079000000e-02  1.0656310000e+00  1.7194310000e+00  4.4608300000e-01  1.8038500000e+00  2.2351650000e+00  7.7055700000e-01  1.3876010000e+00  1.3222670000e+00 -3.6313100000e-01
+ENERGY -1.526538059661e+02
+FORCES -3.4178000000e-03 -3.4965000000e-03  2.1110000000e-04  3.2922000000e-03  1.8050000000e-04  2.2098000000e-03 -7.9100000000e-05  3.3403000000e-03 -2.0567000000e-03  3.8093000000e-03 -5.9850000000e-04 -2.4401000000e-03 -3.0570000000e-03 -2.1244000000e-03 -1.1515000000e-03 -5.4760000000e-04  2.6985000000e-03  3.2275000000e-03
+
+JOB 57
+COORDS  1.3261250000e+00  1.5951380000e+00  2.6020600000e-01  1.9979040000e+00  1.6972070000e+00  9.3439100000e-01  5.0172400000e-01  1.7684400000e+00  7.1469600000e-01 -1.3302010000e+00 -1.6354370000e+00 -3.9189500000e-01 -1.8471480000e+00 -1.0082100000e+00  1.1365800000e-01 -5.8949000000e-01 -1.8486560000e+00  1.7565800000e-01
+ENERGY -1.526535177527e+02
+FORCES -3.9420000000e-04  1.9842000000e-03  4.0935000000e-03 -2.9599000000e-03 -7.6590000000e-04 -2.8122000000e-03  3.2118000000e-03 -1.2827000000e-03 -1.5415000000e-03  1.9200000000e-03  2.0186000000e-03  3.8544000000e-03  1.9275000000e-03 -2.2812000000e-03 -1.7612000000e-03 -3.7052000000e-03  3.2710000000e-04 -1.8331000000e-03
+
+JOB 58
+COORDS  6.6314600000e-01 -4.2483700000e-01 -1.9240970000e+00  1.2885890000e+00  2.7963000000e-01 -1.7544550000e+00  1.8876300000e-01 -1.4153200000e-01 -2.7057180000e+00 -7.1265900000e-01  3.0843600000e-01  1.9834000000e+00 -4.3808800000e-01  5.6122900000e-01  1.1019590000e+00 -3.0311800000e-01  9.5587800000e-01  2.5572700000e+00
+ENERGY -1.526546503937e+02
+FORCES  1.1682000000e-03  2.9511000000e-03 -4.2263000000e-03 -3.3955000000e-03 -2.6055000000e-03  2.5110000000e-04  2.1295000000e-03 -1.0213000000e-03  3.5484000000e-03  2.7213000000e-03  2.7364000000e-03 -2.0699000000e-03 -1.1028000000e-03  4.4950000000e-04  4.9455000000e-03 -1.5205000000e-03 -2.5103000000e-03 -2.4488000000e-03
+
+JOB 59
+COORDS -1.0245850000e+00 -1.0512800000e-01  1.8055610000e+00 -1.6807290000e+00 -7.4988500000e-01  2.0701270000e+00 -9.8752300000e-01  5.1296200000e-01  2.5355090000e+00  1.0797400000e+00  1.6116600000e-01 -1.8380730000e+00  4.9562700000e-01 -4.9748300000e-01 -1.4622720000e+00  1.3213850000e+00 -1.9272300000e-01 -2.6939950000e+00
+ENERGY -1.526547785014e+02
+FORCES -2.2696000000e-03  8.7340000000e-04  4.6937000000e-03  2.8029000000e-03  2.4671000000e-03 -1.4523000000e-03 -4.9250000000e-04 -2.8373000000e-03 -2.7259000000e-03 -1.9838000000e-03 -4.0789000000e-03 -7.3660000000e-04  2.9039000000e-03  2.1512000000e-03 -3.1768000000e-03 -9.6080000000e-04  1.4246000000e-03  3.3980000000e-03
+
+JOB 60
+COORDS -6.2183300000e-01 -6.4102600000e-01 -2.0289320000e+00 -6.9014500000e-01 -1.7718300000e-01 -1.1944170000e+00  2.0802000000e-02 -1.3318460000e+00 -1.8676220000e+00  5.3852000000e-01  6.2637800000e-01  1.9542280000e+00  9.5558900000e-01  1.4173980000e+00  1.6128020000e+00  1.0903160000e+00  3.6290000000e-01  2.6906600000e+00
+ENERGY -1.526560991412e+02
+FORCES  2.1719000000e-03 -1.0921000000e-03  5.2361000000e-03  6.4300000000e-05 -1.4265000000e-03 -4.8804000000e-03 -2.3721000000e-03  2.5160000000e-03 -1.2779000000e-03  4.2556000000e-03  2.4288000000e-03  3.0468000000e-03 -1.9451000000e-03 -3.6837000000e-03  1.0072000000e-03 -2.1747000000e-03  1.2576000000e-03 -3.1318000000e-03
+
+JOB 61
+COORDS  1.1619980000e+00 -8.1701400000e-01 -1.6570530000e+00  1.3400950000e+00 -1.6072260000e+00 -1.1470740000e+00  2.6576300000e-01 -9.3212600000e-01 -1.9728740000e+00 -1.1873040000e+00  8.4871200000e-01  1.6666770000e+00 -5.4111100000e-01  1.4110510000e+00  2.0938080000e+00 -7.5834400000e-01  5.5880800000e-01  8.6158000000e-01
+ENERGY -1.526556505406e+02
+FORCES -1.9429000000e-03 -4.9590000000e-03 -9.3740000000e-04 -1.0221000000e-03  3.8360000000e-03 -1.8844000000e-03  3.7057000000e-03  1.0640000000e-03  2.2821000000e-03  5.0559000000e-03  1.5672000000e-03 -1.8625000000e-03 -2.7822000000e-03 -2.2460000000e-03 -1.3686000000e-03 -3.0145000000e-03  7.3780000000e-04  3.7709000000e-03
+
+JOB 62
+COORDS -2.4043700000e-01 -7.2505600000e-01 -2.2222370000e+00 -6.6083700000e-01 -6.6445000000e-02 -1.6693120000e+00  6.5893800000e-01 -7.7199800000e-01 -1.8979660000e+00  1.7711500000e-01  7.4969800000e-01  2.1638300000e+00  1.0628620000e+00  6.6986300000e-01  2.5178200000e+00 -9.2408000000e-02 -1.5140700000e-01  1.9860680000e+00
+ENERGY -1.526549567324e+02
+FORCES  2.0058000000e-03  3.4195000000e-03  3.2808000000e-03  1.5262000000e-03 -3.4642000000e-03 -2.4356000000e-03 -3.6260000000e-03 -3.6620000000e-04 -1.1868000000e-03  2.4563000000e-03 -3.9654000000e-03  2.1461000000e-03 -3.6876000000e-03  2.5550000000e-04 -1.7713000000e-03  1.3253000000e-03  4.1207000000e-03 -3.3200000000e-05
+
+JOB 63
+COORDS -9.6496700000e-01  1.9242990000e+00 -8.1005800000e-01 -6.0144000000e-01  1.1794620000e+00 -1.2889090000e+00 -6.9265600000e-01  2.6903830000e+00 -1.3152240000e+00  8.7930600000e-01 -1.9694620000e+00  8.4328700000e-01  1.7929130000e+00 -2.1871430000e+00  1.0281320000e+00  7.9638400000e-01 -1.0493830000e+00  1.0939090000e+00
+ENERGY -1.526551324623e+02
+FORCES  1.9277000000e-03  1.5320000000e-04 -4.7151000000e-03 -1.1283000000e-03  3.5369000000e-03  2.5265000000e-03 -1.0301000000e-03 -3.1653000000e-03  2.1231000000e-03  3.1818000000e-03  2.8161000000e-03  2.6293000000e-03 -3.6959000000e-03  9.1280000000e-04 -8.8730000000e-04  7.4480000000e-04 -4.2537000000e-03 -1.6764000000e-03
+
+JOB 64
+COORDS  7.6522600000e-01  9.9282000000e-01  2.0517200000e+00  4.8235000000e-01  8.5970000000e-02  2.1693490000e+00  1.3896240000e+00  9.5736700000e-01  1.3270800000e+00 -8.4752700000e-01 -9.6263800000e-01 -2.0325310000e+00 -3.7326000000e-02 -1.3731990000e+00 -2.3345980000e+00 -5.5754000000e-01 -2.0886200000e-01 -1.5187600000e+00
+ENERGY -1.526539249461e+02
+FORCES  1.6812000000e-03 -3.9395000000e-03 -1.2791000000e-03  1.3277000000e-03  4.0568000000e-03 -9.0840000000e-04 -3.1275000000e-03  6.2100000000e-05  2.2913000000e-03  3.9495000000e-03  1.7546000000e-03  2.8930000000e-04 -3.2190000000e-03  1.7595000000e-03  1.6431000000e-03 -6.1180000000e-04 -3.6934000000e-03 -2.0362000000e-03
+
+JOB 65
+COORDS  7.1300300000e-01  1.0418400000e-01  2.3773680000e+00  7.1375400000e-01 -7.0781900000e-01  1.8705330000e+00  6.9769500000e-01  7.9834000000e-01  1.7184710000e+00 -7.5274100000e-01 -7.7030000000e-02 -2.3751110000e+00  8.5212000000e-02 -5.3969400000e-01 -2.3722630000e+00 -9.5210200000e-01  6.4100000000e-02 -1.4496010000e+00
+ENERGY -1.526531744126e+02
+FORCES  4.8790000000e-04 -3.2280000000e-04 -3.9065000000e-03 -3.1200000000e-04  3.7045000000e-03  1.5188000000e-03 -3.6180000000e-04 -3.4448000000e-03  2.2889000000e-03  2.1123000000e-03 -1.4749000000e-03  3.1189000000e-03 -3.5055000000e-03  2.0794000000e-03  5.2110000000e-04  1.5791000000e-03 -5.4140000000e-04 -3.5412000000e-03
+
+JOB 66
+COORDS  6.1879500000e-01  3.8062000000e-02 -2.4453420000e+00  6.0335300000e-01  7.5337500000e-01 -3.0812040000e+00 -2.0271500000e-01  1.2844300000e-01 -1.9624500000e+00 -5.5227000000e-01 -1.1800000000e-02  2.4331490000e+00 -3.9552000000e-02 -7.1337700000e-01  2.8345750000e+00 -1.4380200000e+00 -3.6882300000e-01  2.3682420000e+00
+ENERGY -1.526543557378e+02
+FORCES -3.3059000000e-03  3.6176000000e-03  1.0700000000e-04  4.8600000000e-05 -2.9442000000e-03  2.4129000000e-03  3.0398000000e-03 -6.6160000000e-04 -2.6890000000e-03 -9.9840000000e-04 -4.5310000000e-03  1.7781000000e-03 -2.3456000000e-03  2.9126000000e-03 -1.4825000000e-03  3.5615000000e-03  1.6066000000e-03 -1.2650000000e-04
+
+JOB 67
+COORDS  3.0413000000e-02 -1.1450040000e+00 -2.4991010000e+00  7.8829900000e-01 -1.7270800000e+00 -2.5541210000e+00  3.8222300000e-01 -3.2504400000e-01 -2.1525070000e+00 -1.0518500000e-01  1.0597320000e+00  2.4557410000e+00 -3.0829200000e-01  1.9149840000e+00  2.0768950000e+00  3.1488500000e-01  1.2612830000e+00  3.2918930000e+00
+ENERGY -1.526540980560e+02
+FORCES  4.4805000000e-03  8.7410000000e-04  1.9514000000e-03 -3.0186000000e-03  2.3203000000e-03 -4.8000000000e-05 -1.3896000000e-03 -3.0990000000e-03 -1.9581000000e-03  4.9870000000e-04  4.2721000000e-03  2.2190000000e-03  1.0902000000e-03 -3.5454000000e-03  1.3383000000e-03 -1.6611000000e-03 -8.2200000000e-04 -3.5026000000e-03
+
+JOB 68
+COORDS  4.0339800000e-01  2.7457880000e+00  1.8779800000e-01  1.2258690000e+00  2.3265900000e+00 -6.5275000000e-02  4.6640900000e-01  2.8438340000e+00  1.1378760000e+00 -4.2697300000e-01 -2.7653440000e+00 -2.7579500000e-01 -3.9212400000e-01 -3.0307570000e+00  6.4321200000e-01 -7.8841000000e-01 -1.8792240000e+00 -2.5613500000e-01
+ENERGY -1.526545436899e+02
+FORCES  4.0182000000e-03 -6.9470000000e-04  2.6833000000e-03 -3.6289000000e-03  1.5809000000e-03  1.1871000000e-03 -4.0590000000e-04 -6.6380000000e-04 -3.8950000000e-03 -1.7088000000e-03  2.6344000000e-03  3.6519000000e-03  6.6000000000e-06  1.0980000000e-03 -3.6759000000e-03  1.7189000000e-03 -3.9547000000e-03  4.8600000000e-05
+
+JOB 69
+COORDS -2.1447000000e-01  1.2149910000e+00 -2.5862430000e+00  4.7110100000e-01  8.3228700000e-01 -2.0387380000e+00 -5.0794100000e-01  4.9351700000e-01 -3.1426430000e+00  1.3858200000e-01 -1.1394020000e+00  2.5780510000e+00  7.4783700000e-01 -8.7587900000e-01  3.2676850000e+00  6.3709400000e-01 -1.7537990000e+00  2.0393180000e+00
+ENERGY -1.526538362229e+02
+FORCES  1.3006000000e-03 -4.4954000000e-03  3.9340000000e-04 -2.5039000000e-03  1.4772000000e-03 -2.5474000000e-03  1.3058000000e-03  2.9119000000e-03  2.1636000000e-03  4.3673000000e-03 -1.4361000000e-03  1.0697000000e-03 -2.4661000000e-03 -1.1317000000e-03 -2.9420000000e-03 -2.0038000000e-03  2.6741000000e-03  1.8626000000e-03
+
+JOB 70
+COORDS -1.3404360000e+00 -2.2146770000e+00 -1.4973780000e+00 -7.2607900000e-01 -2.8135100000e+00 -1.9218730000e+00 -1.4722060000e+00 -2.5849530000e+00 -6.2458700000e-01  1.3304300000e+00  2.2552740000e+00  1.5298570000e+00  1.7988970000e+00  2.7366630000e+00  8.4792200000e-01  4.4917600000e-01  2.1346760000e+00  1.1761910000e+00
+ENERGY -1.526545692273e+02
+FORCES  2.0553000000e-03 -4.1920000000e-03  1.8563000000e-03 -2.5472000000e-03  2.4587000000e-03  1.6795000000e-03  4.5890000000e-04  1.6069000000e-03 -3.6027000000e-03 -1.8257000000e-03  1.3606000000e-03 -4.4889000000e-03 -1.7840000000e-03 -1.8663000000e-03  2.8447000000e-03  3.6427000000e-03  6.3200000000e-04  1.7112000000e-03
+
+JOB 71
+COORDS  2.2019700000e+00  2.1262020000e+00  8.8290700000e-01  2.5704430000e+00  1.2494200000e+00  9.9112800000e-01  2.7809180000e+00  2.5536020000e+00  2.5173400000e-01 -2.2335380000e+00 -2.1276790000e+00 -9.1193600000e-01 -2.8275480000e+00 -1.3968100000e+00 -7.4101400000e-01 -1.9797770000e+00 -2.4389390000e+00 -4.3055000000e-02
+ENERGY -1.526542879072e+02
+FORCES  3.9039000000e-03 -1.8641000000e-03 -2.3706000000e-03 -1.5261000000e-03  3.5747000000e-03 -2.7510000000e-04 -2.3232000000e-03 -1.6926000000e-03  2.6438000000e-03 -1.4039000000e-03  1.9945000000e-03  4.2960000000e-03  2.3067000000e-03 -3.1318000000e-03 -7.4370000000e-04 -9.5740000000e-04  1.1193000000e-03 -3.5504000000e-03
+
+JOB 72
+COORDS -2.3227400000e-01 -1.5230500000e-01 -3.4817230000e+00 -8.8718800000e-01  1.1730600000e-01 -4.1256410000e+00 -2.2213300000e-01  5.5650200000e-01 -2.8385100000e+00  2.9087800000e-01  9.7297000000e-02  3.5404410000e+00 -5.3192100000e-01  4.3910200000e-01  3.1905790000e+00  7.1960400000e-01 -3.1203200000e-01  2.7888590000e+00
+ENERGY -1.526540446374e+02
+FORCES -2.6128000000e-03  4.0542000000e-03 -3.7120000000e-04  2.6780000000e-03 -1.0989000000e-03  2.7224000000e-03 -6.3800000000e-05 -3.0209000000e-03 -2.3468000000e-03 -1.5796000000e-03 -5.1880000000e-04 -4.4253000000e-03  3.3686000000e-03 -1.2679000000e-03  1.3542000000e-03 -1.7904000000e-03  1.8524000000e-03  3.0666000000e-03
+
+JOB 73
+COORDS -4.1079400000e-01  3.3564520000e+00 -1.3143200000e+00 -4.8338100000e-01  2.4730160000e+00 -9.5306800000e-01 -1.0259850000e+00  3.8778790000e+00 -7.9867900000e-01  4.9606000000e-01 -3.3448340000e+00  1.2164280000e+00  2.0201500000e-01 -3.9308750000e+00  1.9137980000e+00 -2.2279000000e-02 -2.5492200000e+00  1.3370710000e+00
+ENERGY -1.526537905070e+02
+FORCES -2.7215000000e-03 -1.4430000000e-03  3.4547000000e-03  2.0050000000e-04  3.5760000000e-03 -1.3337000000e-03  2.5079000000e-03 -2.1927000000e-03 -2.0694000000e-03 -3.2415000000e-03  6.4470000000e-04  3.4111000000e-03  1.1825000000e-03  2.4587000000e-03 -2.8734000000e-03  2.0721000000e-03 -3.0436000000e-03 -5.8930000000e-04
+
+JOB 74
+COORDS  1.9911500000e+00 -1.8727900000e-01 -3.2612660000e+00  1.6773530000e+00 -1.0503420000e+00 -2.9912930000e+00  1.3635030000e+00  4.2645600000e-01 -2.8796640000e+00 -1.9621450000e+00  1.8983700000e-01  3.1581320000e+00 -2.4157140000e+00  1.8772000000e-02  3.9835070000e+00 -1.1140520000e+00  5.4807400000e-01  3.4201170000e+00
+ENERGY -1.526543653061e+02
+FORCES -4.0063000000e-03 -1.0443000000e-03  2.6928000000e-03  1.3834000000e-03  3.4837000000e-03 -1.1446000000e-03  2.6738000000e-03 -2.4368000000e-03 -1.5919000000e-03  1.5174000000e-03  7.8260000000e-04  4.6115000000e-03  1.8747000000e-03  6.9690000000e-04 -3.3808000000e-03 -3.4430000000e-03 -1.4821000000e-03 -1.1869000000e-03
+
+JOB 75
+COORDS  1.8688650000e+00  6.6452000000e-01  3.4063430000e+00  2.4432720000e+00  5.8452600000e-01  2.6448380000e+00  1.0959350000e+00  1.1230180000e+00  3.0768140000e+00 -1.9142610000e+00 -6.5761300000e-01 -3.3310050000e+00 -1.0625330000e+00 -2.3479500000e-01 -3.4406270000e+00 -1.7318690000e+00 -1.5925980000e+00 -3.4246450000e+00
+ENERGY -1.526540546542e+02
+FORCES -9.2280000000e-04  1.5806000000e-03 -4.3928000000e-03 -2.3072000000e-03  2.9280000000e-04  3.0505000000e-03  3.2503000000e-03 -1.8736000000e-03  1.3306000000e-03  4.1077000000e-03 -2.2125000000e-03 -1.0039000000e-03 -3.4300000000e-03 -1.6659000000e-03  5.9760000000e-04 -6.9800000000e-04  3.8787000000e-03  4.1810000000e-04
+
+JOB 76
+COORDS  3.0845600000e-01 -4.0638900000e-01  4.2278320000e+00  1.1043420000e+00  1.0641000000e-01  4.0869960000e+00 -2.2062000000e-01 -2.4791700000e-01  3.4460410000e+00 -3.0224600000e-01  4.2411800000e-01 -4.1670460000e+00 -5.9747000000e-01  8.6301000000e-02 -5.0125950000e+00 -4.6529000000e-01 -2.9145700000e-01 -3.5525530000e+00
+ENERGY -1.526541418732e+02
+FORCES  1.1154000000e-03  2.8588000000e-03 -3.7291000000e-03 -3.2518000000e-03 -2.1416000000e-03  5.8240000000e-04  2.1326000000e-03 -7.4560000000e-04  3.1548000000e-03 -1.8817000000e-03 -4.3312000000e-03 -1.1208000000e-03  1.2053000000e-03  1.3789000000e-03  3.4843000000e-03  6.8030000000e-04  2.9806000000e-03 -2.3717000000e-03
+
+JOB 77
+COORDS -2.5173100000e+00  3.4264890000e+00 -9.6457200000e-01 -3.4678110000e+00  3.4632180000e+00 -8.5765500000e-01 -2.3786720000e+00  2.7830810000e+00 -1.6595810000e+00  2.5390270000e+00 -3.3630330000e+00  9.4139000000e-01  2.5322670000e+00 -4.2943950000e+00  1.1621860000e+00  2.8354040000e+00 -2.9288970000e+00  1.7413390000e+00
+ENERGY -1.526541324800e+02
+FORCES -3.2229000000e-03 -2.5976000000e-03 -2.4143000000e-03  3.8471000000e-03 -1.1210000000e-04 -4.1830000000e-04 -6.3970000000e-04  2.7082000000e-03  2.8120000000e-03  1.2048000000e-03 -1.9445000000e-03  4.2110000000e-03  8.2000000000e-06  3.7800000000e-03 -9.2250000000e-04 -1.1976000000e-03 -1.8339000000e-03 -3.2679000000e-03
+
+JOB 78
+COORDS -3.1365190000e+00  3.3472300000e+00 -1.6537620000e+00 -2.6690530000e+00  4.0515020000e+00 -2.1028810000e+00 -2.9140940000e+00  2.5582460000e+00 -2.1479920000e+00  3.1424720000e+00 -3.3122160000e+00  1.7418770000e+00  2.6262080000e+00 -2.8566590000e+00  1.0769170000e+00  2.9293820000e+00 -4.2372740000e+00  1.6190280000e+00
+ENERGY -1.526540117110e+02
+FORCES  2.7894000000e-03 -2.6060000000e-04 -3.8481000000e-03 -1.9049000000e-03 -2.9102000000e-03  1.8254000000e-03 -8.8010000000e-04  3.1646000000e-03  2.0355000000e-03 -3.0114000000e-03 -1.9127000000e-03 -3.1444000000e-03  2.1270000000e-03 -1.8607000000e-03  2.6578000000e-03  8.8000000000e-04  3.7796000000e-03  4.7380000000e-04
+
+JOB 79
+COORDS -1.0665470000e+00  4.2232590000e+00  2.4079460000e+00 -1.7837540000e+00  4.6091650000e+00  2.9108600000e+00 -1.4188180000e+00  3.3937830000e+00  2.0852910000e+00  1.0834910000e+00 -4.2480490000e+00 -2.4058580000e+00  1.8097810000e+00 -3.9234630000e+00 -1.8735250000e+00  1.1217810000e+00 -3.7265470000e+00 -3.2076070000e+00
+ENERGY -1.526541576970e+02
+FORCES -4.4049000000e-03 -1.8088000000e-03  7.6920000000e-04  2.9323000000e-03 -1.5668000000e-03 -2.0565000000e-03  1.4748000000e-03  3.3905000000e-03  1.2923000000e-03  3.1845000000e-03  3.4291000000e-03 -1.1259000000e-03 -2.9975000000e-03 -1.3220000000e-03 -2.1595000000e-03 -1.8930000000e-04 -2.1219000000e-03  3.2803000000e-03
+
+JOB 80
+COORDS  9.9607700000e-01  4.3264180000e+00 -2.4104740000e+00  1.9133900000e-01  4.5757590000e+00 -2.8648510000e+00  6.9627900000e-01  3.8674440000e+00 -1.6258110000e+00 -9.9220200000e-01 -4.2894370000e+00  2.4201730000e+00 -4.1656300000e-01 -3.9156520000e+00  1.7529740000e+00 -6.2759900000e-01 -5.1574940000e+00  2.5927280000e+00
+ENERGY -1.526541339773e+02
+FORCES -4.5432000000e-03 -7.9550000000e-04  1.3693000000e-03  3.2963000000e-03 -1.0317000000e-03  1.8401000000e-03  1.2568000000e-03  1.8303000000e-03 -3.2192000000e-03  3.8622000000e-03 -2.0877000000e-03 -1.9971000000e-03 -2.3781000000e-03 -1.4674000000e-03  2.7153000000e-03 -1.4940000000e-03  3.5519000000e-03 -7.0850000000e-04
+
+JOB 81
+COORDS  4.5214710000e+00  2.0992930000e+00  1.0990920000e+00  5.0384170000e+00  2.8921080000e+00  1.2420710000e+00  4.6576480000e+00  1.5780640000e+00  1.8902980000e+00 -4.5194360000e+00 -2.0876270000e+00 -1.1313970000e+00 -4.6400640000e+00 -3.0355710000e+00 -1.1869260000e+00 -5.2713750000e+00 -1.7223010000e+00 -1.5976120000e+00
+ENERGY -1.526539665229e+02
+FORCES  2.5717000000e-03  1.0766000000e-03  3.8223000000e-03 -2.0867000000e-03 -3.2267000000e-03 -5.9260000000e-04 -5.0060000000e-04  2.1409000000e-03 -3.2252000000e-03 -3.4996000000e-03 -2.3441000000e-03 -2.1638000000e-03  4.7200000000e-04  3.8571000000e-03  2.4380000000e-04  3.0433000000e-03 -1.5038000000e-03  1.9155000000e-03
+
+JOB 82
+COORDS  1.0969320000e+00  1.8409570000e+00  4.7985550000e+00  1.6131920000e+00  2.4114560000e+00  4.2291350000e+00  1.0048560000e+00  2.3348400000e+00  5.6133140000e+00 -1.0731000000e+00 -1.9384430000e+00 -4.8013790000e+00 -1.1132040000e+00 -1.3088870000e+00 -5.5212980000e+00 -1.8903870000e+00 -1.8060740000e+00 -4.3210120000e+00
+ENERGY -1.526540555777e+02
+FORCES  1.7793000000e-03  4.3083000000e-03  9.8700000000e-04 -2.1316000000e-03 -2.3018000000e-03  2.3353000000e-03  3.5780000000e-04 -2.0077000000e-03 -3.3252000000e-03 -3.5072000000e-03  3.0944000000e-03 -9.0550000000e-04  1.7470000000e-04 -2.5602000000e-03  2.9187000000e-03  3.3269000000e-03 -5.3300000000e-04 -2.0103000000e-03
+
+JOB 83
+COORDS  3.4983000000e-02  8.2287000000e-02 -5.7028090000e+00 -6.2862900000e-01  1.3912100000e-01 -5.0153340000e+00  3.5872200000e-01  9.7798100000e-01 -5.7984990000e+00 -3.8311000000e-02 -1.8882600000e-01  5.6911340000e+00 -4.9402300000e-01  4.7766100000e-01  5.1769810000e+00  8.3989200000e-01  1.6849200000e-01  5.8227210000e+00
+ENERGY -1.526540223236e+02
+FORCES -1.4027000000e-03  3.8533000000e-03  2.3913000000e-03  2.7204000000e-03 -2.0440000000e-04 -2.7943000000e-03 -1.3167000000e-03 -3.6470000000e-03  4.1030000000e-04  1.7464000000e-03  4.1549000000e-03 -1.5227000000e-03  1.8509000000e-03 -2.7129000000e-03  2.0681000000e-03 -3.5983000000e-03 -1.4439000000e-03 -5.5250000000e-04
+
+JOB 84
+COORDS -5.1643520000e+00  1.5391900000e+00  1.7873140000e+00 -4.7547240000e+00  2.3754080000e+00  2.0090700000e+00 -6.1029840000e+00  1.6976280000e+00  1.8878070000e+00  5.1795990000e+00 -1.6447010000e+00 -1.7756190000e+00  4.6562890000e+00 -8.4631300000e-01 -1.7052270000e+00  5.8924550000e+00 -1.4127020000e+00 -2.3708030000e+00
+ENERGY -1.526540445572e+02
+FORCES -2.1779000000e-03  4.0275000000e-03  1.3409000000e-03 -1.6553000000e-03 -3.4011000000e-03 -9.2380000000e-04  3.8352000000e-03 -6.3370000000e-04 -4.1720000000e-04  7.0850000000e-04  4.1917000000e-03 -2.1349000000e-03  2.1805000000e-03 -3.2398000000e-03 -2.9370000000e-04 -2.8910000000e-03 -9.4460000000e-04  2.4287000000e-03
+
+JOB 85
+COORDS -3.6530570000e+00  3.8217050000e+00 -5.4914740000e+00 -4.4360220000e+00  3.9646050000e+00 -4.9597070000e+00 -3.7623110000e+00  2.9398600000e+00 -5.8473480000e+00  3.6947540000e+00 -3.8506790000e+00  5.4854080000e+00  4.4694980000e+00 -3.3422020000e+00  5.7251060000e+00  3.0746020000e+00 -3.2012690000e+00  5.1538800000e+00
+ENERGY -1.526540917222e+02
+FORCES -3.6528000000e-03 -3.0137000000e-03  6.9350000000e-04  3.2018000000e-03 -5.8280000000e-04 -2.1574000000e-03  4.5110000000e-04  3.5981000000e-03  1.4624000000e-03  6.4340000000e-04  4.7319000000e-03 -3.7960000000e-04 -3.1630000000e-03 -2.0778000000e-03 -9.7340000000e-04  2.5195000000e-03 -2.6557000000e-03  1.3547000000e-03
+
+JOB 86
+COORDS  8.4347710000e+00 -2.2580410000e+00  4.2213500000e-01  8.8604240000e+00 -2.2241010000e+00 -4.3454400000e-01  8.2217500000e+00 -3.1827370000e+00  5.4780400000e-01 -8.3945070000e+00  2.3492520000e+00 -4.0643100000e-01 -9.0272890000e+00  2.5149400000e+00  2.9240200000e-01 -8.5962700000e+00  1.4634240000e+00 -7.0781400000e-01
+ENERGY -1.526540601867e+02
+FORCES  8.5610000000e-04 -3.6231000000e-03 -2.9881000000e-03 -1.7308000000e-03 -1.4420000000e-04  3.4972000000e-03  8.7330000000e-04  3.7676000000e-03 -5.0980000000e-04 -3.3937000000e-03 -2.9349000000e-03  1.6304000000e-03  2.5762000000e-03 -6.7760000000e-04 -2.8549000000e-03  8.1880000000e-04  3.6122000000e-03  1.2251000000e-03
+
+JOB 87
+COORDS -4.1701600000e-01 -9.8023760000e+00  3.7486770000e+00 -5.5315900000e-01 -1.0012656000e+01  4.6725160000e+00 -3.1212100000e-01 -1.0652736000e+01  3.3219260000e+00  3.7913300000e-01  9.9012590000e+00 -3.7354600000e+00  1.3018740000e+00  9.6607100000e+00 -3.6522870000e+00  9.2179000000e-02  9.4760500000e+00 -4.5435980000e+00
+ENERGY -1.526540785948e+02
+FORCES -1.3200000000e-04 -4.3257000000e-03  2.0329000000e-03  5.5740000000e-04  8.5650000000e-04 -3.7703000000e-03 -4.2580000000e-04  3.4692000000e-03  1.7380000000e-03  2.5912000000e-03 -2.7302000000e-03 -2.9503000000e-03 -3.7618000000e-03  9.8870000000e-04 -3.4250000000e-04  1.1711000000e-03  1.7415000000e-03  3.2922000000e-03
+
+JOB 88
+COORDS -1.0180783000e+01  3.9816800000e+00 -2.6240900000e+00 -1.0902685000e+01  3.9299710000e+00 -3.2505210000e+00 -1.0481781000e+01  4.6038520000e+00 -1.9618710000e+00  1.0283735000e+01 -4.0701260000e+00  2.6343690000e+00  9.4102890000e+00 -4.0316340000e+00  2.2447000000e+00  1.0486510000e+01 -3.1620370000e+00  2.8590660000e+00
+ENERGY -1.526540859244e+02
+FORCES -4.1792000000e-03  2.3259000000e-03  1.4380000000e-04  2.9468000000e-03  2.1150000000e-04  2.5558000000e-03  1.2316000000e-03 -2.5375000000e-03 -2.6999000000e-03 -2.7433000000e-03  3.8619000000e-03 -6.7640000000e-04  3.5666000000e-03 -1.5790000000e-04  1.5910000000e-03 -8.2240000000e-04 -3.7040000000e-03 -9.1430000000e-04
+
+JOB 89
+COORDS -3.9610200000e-01  8.3712610000e+00 -7.6602900000e+00 -3.0527800000e-01  7.4758450000e+00 -7.9861930000e+00  4.2256000000e-01  8.8009980000e+00 -7.9079820000e+00  2.9421100000e-01 -8.3199340000e+00  7.6568290000e+00  4.1001800000e-01 -8.3177170000e+00  8.6069950000e+00  1.0737930000e+00 -8.7623800000e+00  7.3210820000e+00
+ENERGY -1.526540704926e+02
+FORCES  3.7070000000e-03 -1.9057000000e-03 -2.3344000000e-03 -3.6820000000e-04  3.6559000000e-03  1.3258000000e-03 -3.3386000000e-03 -1.7506000000e-03  1.0086000000e-03  3.6492000000e-03 -1.7932000000e-03  2.5093000000e-03 -4.7050000000e-04 -1.0700000000e-05 -3.8771000000e-03 -3.1789000000e-03  1.8043000000e-03  1.3678000000e-03
+
+JOB 0
+COORDS -1.4370400000e-01 -1.2012710000e+00  1.4439000000e-01  5.7353600000e-01 -1.8140540000e+00  3.0654500000e-01 -8.0602200000e-01 -1.4289590000e+00  7.9686600000e-01  1.9393900000e-01  1.2685730000e+00 -1.7850300000e-01 -5.0111800000e-01  1.8122970000e+00 -5.4930200000e-01 -2.0917500000e-01  4.0776700000e-01 -6.5607000000e-02
+ENERGY -1.526545319928e+02
+FORCES  7.6643000000e-03  1.5118900000e-02 -9.7880000000e-04 -5.4811000000e-03  8.1520000000e-04  4.8960000000e-04  3.6694000000e-03  3.5168000000e-03 -3.8112000000e-03 -1.0900000000e-03 -2.1225300000e-02  1.6651000000e-03  2.2710000000e-04 -5.1722000000e-03  1.7728000000e-03 -4.9897000000e-03  6.9466000000e-03  8.6250000000e-04
+
+JOB 1
+COORDS -1.6793300000e-01  1.1554910000e+00  6.4244900000e-01 -1.3451000000e-02  2.6248300000e-01  3.3438300000e-01 -7.9349500000e-01  1.5204250000e+00  1.6569000000e-02  1.7382600000e-01 -1.0934590000e+00 -5.3775300000e-01  1.0565610000e+00 -1.2955260000e+00 -8.4788000000e-01 -4.0468100000e-01 -1.4460060000e+00 -1.2139720000e+00
+ENERGY -1.526560460885e+02
+FORCES  1.1301000000e-03 -1.9480800000e-02 -1.2710600000e-02  1.4279000000e-03  4.3343000000e-03  4.0716000000e-03  9.8380000000e-04 -1.2087000000e-03  1.0903000000e-03 -2.4314000000e-03  1.4155900000e-02  4.5779000000e-03 -5.5054000000e-03  5.9380000000e-04  7.1870000000e-04  4.3950000000e-03  1.6054000000e-03  2.2522000000e-03
+
+JOB 2
+COORDS  6.0418300000e-01 -1.1831760000e+00  2.1513700000e-01  2.1065000000e-02 -4.2493700000e-01  2.5089800000e-01  9.8542600000e-01 -1.1515600000e+00 -6.6229500000e-01 -5.8602000000e-01  1.1323210000e+00 -1.1065500000e-01 -1.3725920000e+00  9.6860700000e-01 -6.3097600000e-01  5.0153000000e-02  1.4746800000e+00 -7.3859200000e-01
+ENERGY -1.526559317854e+02
+FORCES -9.1836000000e-03  1.9057500000e-02 -3.6384000000e-03  2.2751000000e-03 -8.5666000000e-03 -3.8280000000e-04 -1.0688000000e-03  1.1623000000e-03  1.7408000000e-03  5.7375000000e-03 -6.6901000000e-03 -2.8272000000e-03  6.0155000000e-03 -1.2203000000e-03  2.6432000000e-03 -3.7757000000e-03 -3.7428000000e-03  2.4644000000e-03
+
+JOB 3
+COORDS -7.3873400000e-01  5.1012000000e-02 -9.9796000000e-01 -1.5801450000e+00 -1.6115500000e-01 -5.9392500000e-01 -9.5698800000e-01  2.7783400000e-01 -1.9019230000e+00  7.8829700000e-01 -8.4337000000e-02  1.0841940000e+00  1.5333620000e+00  4.8303200000e-01  8.8619600000e-01  2.7387700000e-01 -9.5354000000e-02  2.7705000000e-01
+ENERGY -1.526567533087e+02
+FORCES  7.7903000000e-03  1.8670000000e-04  8.5480000000e-03  5.6084000000e-03  1.0550000000e-03 -2.5957000000e-03 -1.4623000000e-03 -1.0440000000e-03  4.8528000000e-03 -7.5778000000e-03  3.3076000000e-03 -1.7122900000e-02 -1.7506000000e-03 -1.3589000000e-03 -1.4850000000e-04 -2.6080000000e-03 -2.1464000000e-03  6.4664000000e-03
+
+JOB 4
+COORDS -1.1244950000e+00  2.6685000000e-01 -5.6870900000e-01 -6.7423000000e-01  4.1141800000e-01 -1.4009310000e+00 -1.8142840000e+00  9.3024900000e-01 -5.5064500000e-01  1.1708090000e+00 -2.9003200000e-01  6.7913900000e-01  3.2696000000e-01 -4.3813000000e-02  3.0029000000e-01  1.5065220000e+00 -9.7042100000e-01  9.5529000000e-02
+ENERGY -1.526580268557e+02
+FORCES  4.2817000000e-03  2.2427000000e-03  2.5716000000e-03 -6.4630000000e-04 -1.4082000000e-03  6.5087000000e-03  3.5990000000e-03 -3.3595000000e-03 -1.9780000000e-03 -1.4713200000e-02  1.3173000000e-03 -5.8724000000e-03  9.3944000000e-03 -1.7430000000e-03 -1.3172000000e-03 -1.9156000000e-03  2.9508000000e-03  8.7300000000e-05
+
+JOB 5
+COORDS -4.5820400000e-01  3.1818800000e-01  1.2595020000e+00 -6.0688700000e-01  1.2617840000e+00  1.1982420000e+00  1.6465200000e-01  1.2735300000e-01  5.5817100000e-01  4.3153700000e-01 -3.0890800000e-01 -1.1653880000e+00 -2.7789900000e-01 -9.3926100000e-01 -1.2902410000e+00  1.1085130000e+00 -5.8392600000e-01 -1.7836920000e+00
+ENERGY -1.526600548625e+02
+FORCES  6.5530000000e-03  4.2020000000e-04 -1.3065200000e-02  4.9510000000e-04 -2.6085000000e-03 -1.5300000000e-05 -4.3172000000e-03  5.0500000000e-05  6.7589000000e-03 -3.6122000000e-03 -1.3145000000e-03  3.9707000000e-03  5.3251000000e-03  2.7331000000e-03 -1.9880000000e-04 -4.4439000000e-03  7.1920000000e-04  2.5497000000e-03
+
+JOB 6
+COORDS -5.6473400000e-01  9.5373700000e-01 -7.8760700000e-01 -2.3971000000e-02  4.9488300000e-01 -1.4475400000e-01  1.0252000000e-02  1.6298860000e+00 -1.1459980000e+00  5.1077400000e-01 -9.2409000000e-01  7.0990100000e-01  6.9580300000e-01 -6.8163400000e-01  1.6172100000e+00  2.1045300000e-01 -1.8315500000e+00  7.6045800000e-01
+ENERGY -1.526578401329e+02
+FORCES  6.8316000000e-03 -1.1362700000e-02  7.3674000000e-03 -1.0422000000e-03  9.2915000000e-03 -1.5198000000e-03 -2.4360000000e-04 -3.2336000000e-03  2.7650000000e-03 -6.7788000000e-03  1.4406000000e-03 -5.1968000000e-03 -1.6130000000e-03  9.7900000000e-05 -5.6408000000e-03  2.8459000000e-03  3.7663000000e-03  2.2250000000e-03
+
+JOB 7
+COORDS  4.7107600000e-01  1.1583600000e+00 -3.1927100000e-01  1.0189910000e+00  1.9324490000e+00 -1.8962700000e-01 -3.0156900000e-01  1.4856370000e+00 -7.7986000000e-01 -5.0966400000e-01 -1.2122190000e+00  3.6635300000e-01 -1.1435000000e-01 -2.0450300000e+00  1.0870200000e-01  1.0743100000e-01 -5.4829700000e-01  5.8726000000e-02
+ENERGY -1.526599116775e+02
+FORCES -3.4310000000e-03 -3.1105000000e-03  2.2382000000e-03 -3.8168000000e-03 -2.2515000000e-03 -1.5189000000e-03  5.0767000000e-03 -5.7640000000e-04  2.0003000000e-03  6.7306000000e-03  9.6104000000e-03 -2.4511000000e-03  1.8810000000e-04  3.9287000000e-03  2.5240000000e-04 -4.7477000000e-03 -7.6008000000e-03 -5.2080000000e-04
+
+JOB 8
+COORDS  6.8490100000e-01 -2.8428300000e-01 -1.1850000000e+00  9.0005500000e-01  6.2757800000e-01 -1.3810860000e+00  2.8529800000e-01 -2.5498000000e-01 -3.1569500000e-01 -6.4831400000e-01  2.2847300000e-01  1.0857980000e+00 -2.1753000000e-01  7.1644000000e-02  1.9260730000e+00 -1.5711000000e+00  3.5144700000e-01  1.3084530000e+00
+ENERGY -1.526594251292e+02
+FORCES -8.3048000000e-03  5.8238000000e-03  1.2440000000e-02 -3.1920000000e-04 -2.2369000000e-03  2.0520000000e-04  6.1625000000e-03 -2.6116000000e-03 -4.0155000000e-03 -1.3800000000e-05 -1.6699000000e-03 -5.0854000000e-03 -2.5973000000e-03  7.0940000000e-04 -4.7808000000e-03  5.0725000000e-03 -1.4800000000e-05  1.2364000000e-03
+
+JOB 9
+COORDS -1.1267640000e+00 -6.2945900000e-01 -5.6865000000e-02 -1.0221540000e+00 -1.5794870000e+00 -1.0917100000e-01 -2.0562220000e+00 -4.8044800000e-01 -2.3046400000e-01  1.1777110000e+00  7.3530000000e-01  5.7512000000e-02  1.9043480000e+00  1.2209100000e-01  1.6799000000e-01  3.9243800000e-01  1.9966500000e-01  1.7008700000e-01
+ENERGY -1.526583397684e+02
+FORCES  3.2744000000e-03  4.2037000000e-03 -1.3504000000e-03 -2.2610000000e-04  5.0446000000e-03  4.5380000000e-04  3.8711000000e-03 -3.2279000000e-03  4.8020000000e-04 -1.1853600000e-02 -7.3597000000e-03 -4.9970000000e-04 -3.5894000000e-03  2.5270000000e-04 -4.8480000000e-04  8.5236000000e-03  1.0867000000e-03  1.4009000000e-03
+
+JOB 10
+COORDS -1.4788100000e-01 -1.0233290000e+00  8.1782700000e-01 -3.4701100000e-01 -1.8425210000e+00  3.6450100000e-01 -9.0564500000e-01 -8.7120700000e-01  1.3825250000e+00  1.3886100000e-01  1.0723690000e+00 -8.3404100000e-01  9.2288700000e-01  1.5842080000e+00 -1.0329260000e+00  4.6768300000e-01  2.9589400000e-01 -3.8105800000e-01
+ENERGY -1.526592244559e+02
+FORCES -5.6257000000e-03  5.0228000000e-03 -2.1253000000e-03  1.0813000000e-03  4.4527000000e-03  1.6599000000e-03  3.2350000000e-03 -3.1050000000e-03 -1.8763000000e-03  7.8000000000e-05 -8.8366000000e-03  7.6188000000e-03 -1.9753000000e-03 -3.5142000000e-03  2.1734000000e-03  3.2066000000e-03  5.9804000000e-03 -7.4505000000e-03
+
+JOB 11
+COORDS -2.5303000000e-02 -6.9791400000e-01  1.2065840000e+00  1.0796100000e-01 -4.3652000000e-02  5.2071700000e-01  7.9538500000e-01 -6.9973800000e-01  1.6992310000e+00 -1.1127000000e-02  6.3777300000e-01 -1.1305540000e+00 -7.9710000000e-01  3.5755300000e-01 -1.5995470000e+00  4.2277400000e-01  1.2444990000e+00 -1.7304250000e+00
+ENERGY -1.526600905319e+02
+FORCES  2.8082000000e-03  6.9198000000e-03 -1.0437000000e-02 -1.1856000000e-03 -4.2408000000e-03  7.5665000000e-03 -1.8423000000e-03  1.0131000000e-03 -2.4136000000e-03 -1.4032000000e-03 -3.1989000000e-03  2.6590000000e-03  4.4354000000e-03  2.8096000000e-03  1.0181000000e-03 -2.8125000000e-03 -3.3028000000e-03  1.6069000000e-03
+
+JOB 12
+COORDS  1.0043780000e+00 -4.7181200000e-01 -7.6310800000e-01  8.8609500000e-01 -1.4200050000e+00 -7.0680100000e-01  1.7529750000e+00 -2.8920700000e-01 -1.9522600000e-01 -1.0324480000e+00  5.4822400000e-01  7.8846300000e-01 -1.8298450000e+00  3.3164200000e-01  3.0526300000e-01 -3.2242500000e-01  2.0486200000e-01  2.4606000000e-01
+ENERGY -1.526603933804e+02
+FORCES  9.9170000000e-04 -1.9579000000e-03  3.3126000000e-03 -3.1910000000e-04  5.7929000000e-03  5.3870000000e-04 -5.8786000000e-03 -1.1390000000e-03 -2.2030000000e-03  8.9259000000e-03 -5.0012000000e-03 -1.1307100000e-02  2.6741000000e-03 -3.7590000000e-04  1.0650000000e-03 -6.3940000000e-03  2.6811000000e-03  8.5937000000e-03
+
+JOB 13
+COORDS -7.6514200000e-01 -5.0830200000e-01 -1.0544390000e+00 -1.0508310000e+00 -1.4089090000e+00 -9.0107800000e-01 -1.8722300000e-01 -3.1104100000e-01 -3.1733000000e-01  7.7601300000e-01  5.5367700000e-01  9.4484100000e-01  8.1780200000e-01 -2.5861100000e-01  1.4494940000e+00  2.8734700000e-01  1.1582930000e+00  1.5033000000e+00
+ENERGY -1.526575067666e+02
+FORCES  7.6768000000e-03  5.2020000000e-03  9.1706000000e-03  2.3906000000e-03  3.3934000000e-03  1.9369000000e-03 -5.3792000000e-03 -9.1292000000e-03 -4.0948000000e-03 -4.2888000000e-03  1.5118000000e-03  1.6729000000e-03 -3.5667000000e-03  2.9460000000e-03 -6.6389000000e-03  3.1673000000e-03 -3.9240000000e-03 -2.0466000000e-03
+
+JOB 14
+COORDS -1.0341400000e-01  8.9830300000e-01 -9.6932300000e-01 -8.8613100000e-01  1.4436540000e+00 -8.9071700000e-01 -6.7842000000e-02  6.6172100000e-01 -1.8961430000e+00  1.4043100000e-01 -9.8305800000e-01  1.0482380000e+00  5.6110000000e-03 -7.6123800000e-01  1.2690700000e-01  3.3690500000e-01 -1.4664700000e-01  1.4701930000e+00
+ENERGY -1.526583115347e+02
+FORCES -2.7322000000e-03  4.4040000000e-04  6.4630000000e-04  4.3236000000e-03 -2.5626000000e-03 -5.9480000000e-04 -9.0920000000e-04 -4.0860000000e-04  5.6508000000e-03  2.2740000000e-04  1.2585100000e-02 -9.2698000000e-03  2.5300000000e-05 -7.3845000000e-03  1.7736000000e-03 -9.3500000000e-04 -2.6699000000e-03  1.7940000000e-03
+
+JOB 15
+COORDS -5.0539200000e-01 -1.2274540000e+00 -1.2391600000e-01 -1.4430060000e+00 -1.1660820000e+00 -3.0652600000e-01 -2.0659400000e-01 -1.9695260000e+00 -6.4954100000e-01  5.8379000000e-01  1.3165640000e+00  1.4677100000e-01  8.3246100000e-01  3.9400300000e-01  2.0400700000e-01 -3.4744500000e-01  1.3282720000e+00  3.6789900000e-01
+ENERGY -1.526563612117e+02
+FORCES -1.8944000000e-03  2.5520000000e-03 -3.2836000000e-03  4.1577000000e-03 -1.3160000000e-04  1.1264000000e-03 -9.7010000000e-04  3.9509000000e-03  2.4426000000e-03 -7.3647000000e-03 -1.2942500000e-02 -4.0450000000e-04  5.1443000000e-03  3.9878000000e-03  5.4840000000e-04  9.2720000000e-04  2.5834000000e-03 -4.2940000000e-04
+
+JOB 16
+COORDS -3.3523800000e-01  1.0176230000e+00 -8.2209500000e-01  4.3861400000e-01  1.1576590000e+00 -1.3677820000e+00 -5.0663400000e-01  1.8715600000e+00 -4.2504900000e-01  3.5977600000e-01 -1.0669750000e+00  8.5839400000e-01  3.1471000000e-02 -5.6949600000e-01  1.0942000000e-01 -3.3944800000e-01 -1.6893920000e+00  1.0581820000e+00
+ENERGY -1.526603471371e+02
+FORCES  2.7722000000e-03  2.3775000000e-03  4.9943000000e-03 -3.8032000000e-03 -1.3585000000e-03  3.4997000000e-03  1.0883000000e-03 -2.8630000000e-03 -3.5955000000e-03 -5.4803000000e-03  7.8924000000e-03 -6.9374000000e-03  4.0015000000e-03 -8.9685000000e-03  3.2492000000e-03  1.4216000000e-03  2.9201000000e-03 -1.2102000000e-03
+
+JOB 17
+COORDS -5.9536000000e-02  1.2728550000e+00 -4.1447900000e-01 -6.5710000000e-02  1.7627570000e+00  4.0782800000e-01 -4.5477500000e-01  1.8680990000e+00 -1.0514270000e+00  4.7708000000e-02 -1.3272850000e+00  4.6490700000e-01  1.6964000000e-01 -6.3065000000e-01 -1.8012300000e-01  4.6992400000e-01 -2.0924700000e+00  7.4450000000e-02
+ENERGY -1.526605511964e+02
+FORCES -2.0390000000e-03  5.6600000000e-05  3.7899000000e-03 -2.5870000000e-04 -4.1370000000e-04 -5.0538000000e-03  1.7151000000e-03 -1.9351000000e-03  3.4650000000e-03  3.6950000000e-04  7.7105000000e-03 -4.9358000000e-03  1.5529000000e-03 -9.1922000000e-03  2.8362000000e-03 -1.3399000000e-03  3.7739000000e-03 -1.0150000000e-04
+
+JOB 18
+COORDS  1.4352000000e-01 -1.3996830000e+00 -2.6107100000e-01  3.4558200000e-01 -4.6422300000e-01 -2.7887000000e-01 -5.2736900000e-01 -1.5131430000e+00 -9.3432200000e-01 -1.1676400000e-01  1.2922150000e+00  3.2496400000e-01  6.2683500000e-01  1.7874810000e+00 -1.8555000000e-02 -8.6458300000e-01  1.8811060000e+00  2.2394100000e-01
+ENERGY -1.526568652524e+02
+FORCES -4.6050000000e-03  1.2672000000e-02  1.0582000000e-03  5.7622000000e-03 -5.6796000000e-03 -3.3080000000e-03  1.7396000000e-03  1.1470000000e-04  1.9389000000e-03 -3.3115000000e-03  2.6520000000e-04 -4.2850000000e-04 -3.9223000000e-03 -5.4536000000e-03  3.6290000000e-04  4.3370000000e-03 -1.9187000000e-03  3.7640000000e-04
+
+JOB 19
+COORDS -6.5978900000e-01  4.2797400000e-01  1.0922430000e+00 -2.5902600000e-01 -2.4840100000e-01  1.6382630000e+00 -1.5422520000e+00  5.3203400000e-01  1.4481410000e+00  6.7291300000e-01 -3.9444600000e-01 -1.2197500000e+00  1.4548680000e+00 -7.3019700000e-01 -7.8151500000e-01  1.3491300000e-01 -3.9539000000e-02 -5.1205800000e-01
+ENERGY -1.526593653954e+02
+FORCES -2.0034000000e-03 -2.5822000000e-03  1.8600000000e-04 -1.3886000000e-03  3.2268000000e-03 -4.3709000000e-03  4.8039000000e-03 -1.0970000000e-03 -2.1370000000e-04 -4.6818000000e-03  4.4800000000e-03  1.0068600000e-02 -3.0223000000e-03  6.1850000000e-04 -4.3000000000e-06  6.2923000000e-03 -4.6460000000e-03 -5.6658000000e-03
+
+JOB 20
+COORDS  3.4560000000e-01  1.2964770000e+00  1.1164000000e-01  5.9325400000e-01  1.4886540000e+00  1.0160560000e+00  7.6520800000e-01  1.9854200000e+00 -4.0364500000e-01 -3.6030500000e-01 -1.4025550000e+00 -1.6415400000e-01 -3.3710400000e-01 -5.1803900000e-01 -5.2929200000e-01 -8.2768900000e-01 -1.3074110000e+00  6.6574500000e-01
+ENERGY -1.526579352277e+02
+FORCES  2.7929000000e-03 -1.5302000000e-03  3.0900000000e-03 -1.3915000000e-03  4.1960000000e-04 -4.1246000000e-03 -1.7017000000e-03 -3.5829000000e-03  2.5240000000e-03  1.1985000000e-03  1.2376500000e-02  2.9542000000e-03 -2.4651000000e-03 -6.4340000000e-03 -2.9143000000e-03  1.5669000000e-03 -1.2490000000e-03 -1.5293000000e-03
+
+JOB 21
+COORDS -6.5545600000e-01  1.3064980000e+00 -1.4043300000e-01 -2.7370600000e-01  4.8690400000e-01  1.7383600000e-01 -3.3370400000e-01  1.3925440000e+00 -1.0378210000e+00  5.6152700000e-01 -1.2483450000e+00  1.3241100000e-01  6.4196600000e-01 -2.0422730000e+00  6.6103200000e-01  1.3158090000e+00 -7.1528200000e-01  3.8367600000e-01
+ENERGY -1.526580030355e+02
+FORCES  2.0536000000e-03 -1.0744100000e-02 -2.5157000000e-03  3.4358000000e-03  8.5274000000e-03  8.6480000000e-04 -1.9090000000e-04  4.2580000000e-04  3.1427000000e-03  1.5909000000e-03 -2.1970000000e-03  2.6126000000e-03  8.6690000000e-04  3.9997000000e-03 -2.7990000000e-03 -7.7563000000e-03 -1.1800000000e-05 -1.3054000000e-03
+
+JOB 22
+COORDS  1.1836410000e+00  5.0327600000e-01  6.7687400000e-01  3.7314700000e-01  2.8282000000e-02  4.9326400000e-01  9.3847000000e-01  1.1491150000e+00  1.3394550000e+00 -1.1136120000e+00 -4.4583100000e-01 -7.0171600000e-01 -8.5684500000e-01 -1.0296150000e+00 -1.4155080000e+00 -1.4747510000e+00 -1.0282660000e+00 -3.3450000000e-02
+ENERGY -1.526579662274e+02
+FORCES -1.0060600000e-02 -7.1150000000e-04 -4.7803000000e-03  6.0748000000e-03 -5.1040000000e-04  8.0922000000e-03 -1.1400000000e-04 -2.6796000000e-03 -2.1229000000e-03  4.9520000000e-04 -3.2044000000e-03 -3.9419000000e-03 -1.9834000000e-03  2.4486000000e-03  4.2164000000e-03  5.5879000000e-03  4.6573000000e-03 -1.4635000000e-03
+
+JOB 23
+COORDS -1.2717340000e+00 -2.4636500000e-01 -5.2003000000e-01 -1.5692180000e+00  3.2631100000e-01 -1.2269790000e+00 -1.2808810000e+00 -1.1239430000e+00 -9.0213800000e-01  1.2702760000e+00  3.2088200000e-01  6.2299300000e-01  2.1374150000e+00 -7.6015000000e-02  5.4068600000e-01  7.0918500000e-01 -2.0872900000e-01  5.6494000000e-02
+ENERGY -1.526575206585e+02
+FORCES -3.3036000000e-03  2.1145000000e-03 -3.3791000000e-03  1.0412000000e-03 -3.6719000000e-03  3.1112000000e-03  3.3780000000e-03  4.8562000000e-03  2.3755000000e-03 -6.1776000000e-03 -2.5980000000e-03 -3.6150000000e-03 -4.4336000000e-03  4.7260000000e-04 -8.1640000000e-04  9.4956000000e-03 -1.1733000000e-03  2.3239000000e-03
+
+JOB 24
+COORDS -8.3753300000e-01 -1.1925460000e+00  2.8737600000e-01 -3.0854700000e-01 -3.9580200000e-01  2.4731100000e-01 -1.6455510000e+00 -9.2245100000e-01  7.2371100000e-01  7.9858700000e-01  1.1498170000e+00 -2.7012700000e-01  1.0485270000e+00  1.4679160000e+00 -1.1376370000e+00  1.4310380000e+00  4.5780200000e-01 -7.6859000000e-02
+ENERGY -1.526588154676e+02
+FORCES  3.2410000000e-04  9.8576000000e-03 -8.5270000000e-04  2.0842000000e-03 -8.8778000000e-03  3.5987000000e-03  2.4877000000e-03 -8.6580000000e-04 -1.5133000000e-03  3.0247000000e-03 -5.4580000000e-04 -5.4691000000e-03  1.4700000000e-04 -1.0526000000e-03  4.5587000000e-03 -8.0677000000e-03  1.4844000000e-03 -3.2240000000e-04
+
+JOB 25
+COORDS  8.8870300000e-01 -6.9436000000e-01 -1.0058670000e+00 -2.0755000000e-02 -6.3561000000e-01 -7.1317600000e-01  1.3762820000e+00 -1.5403200000e-01 -3.8414000000e-01 -8.0183100000e-01  6.4874500000e-01  9.4608800000e-01 -1.3650340000e+00  2.0191400000e-01  1.5780490000e+00 -1.3714680000e+00  1.2985430000e+00  5.3437500000e-01
+ENERGY -1.526591203450e+02
+FORCES -5.2027000000e-03  6.1088000000e-03  9.6753000000e-03  1.4685000000e-03 -3.5494000000e-03 -5.5260000000e-03  1.7371000000e-03 -2.1002000000e-03 -3.4376000000e-03 -3.1648000000e-03  1.8588000000e-03  1.6950000000e-03  2.5063000000e-03  1.8632000000e-03 -3.9755000000e-03  2.6556000000e-03 -4.1813000000e-03  1.5688000000e-03
+
+JOB 26
+COORDS  9.5888100000e-01 -8.5913000000e-01  6.9900900000e-01  1.1543650000e+00 -6.2851700000e-01 -2.0919500000e-01  6.2326000000e-01 -1.7543490000e+00  6.5238700000e-01 -9.0576500000e-01  8.9395300000e-01 -7.0282100000e-01 -8.0354600000e-01  4.8044500000e-01  1.5438100000e-01 -1.8102960000e+00  1.2069580000e+00 -7.1195000000e-01
+ENERGY -1.526603218970e+02
+FORCES  1.6614000000e-03 -2.7359000000e-03 -6.3379000000e-03 -9.8290000000e-04 -1.8350000000e-03  5.7820000000e-03  4.6460000000e-04  4.4032000000e-03  3.9310000000e-04 -2.8860000000e-04 -1.3753000000e-03  5.3931000000e-03 -4.1963000000e-03  3.6552000000e-03 -6.5357000000e-03  3.3417000000e-03 -2.1122000000e-03  1.3053000000e-03
+
+JOB 27
+COORDS  3.2338800000e-01 -1.1051700000e-01 -1.3737340000e+00 -5.9557800000e-01  1.5652200000e-01 -1.3531490000e+00  4.9891200000e-01 -2.9560100000e-01 -2.2963210000e+00 -3.5055100000e-01  9.0978000000e-02  1.4461060000e+00  2.7498600000e-01  6.3034000000e-01  1.9298660000e+00  1.2142100000e-01 -1.7431500000e-01  6.5674300000e-01
+ENERGY -1.526607748118e+02
+FORCES -2.3991000000e-03  1.5660000000e-04 -3.5783000000e-03  5.7100000000e-03 -2.4725000000e-03  2.0380000000e-04 -2.0922000000e-03  1.7967000000e-03  3.3547000000e-03  6.5588000000e-03  1.3790000000e-04 -4.3471000000e-03 -1.9898000000e-03 -1.8786000000e-03 -1.5116000000e-03 -5.7877000000e-03  2.2599000000e-03  5.8786000000e-03
+
+JOB 28
+COORDS  1.2708320000e+00  8.1150000000e-02  8.0212200000e-01  5.0237900000e-01 -7.9794000000e-02  2.5457400000e-01  9.4817900000e-01 -3.3780000000e-03  1.6993290000e+00 -1.1382800000e+00 -7.7295000000e-02 -8.1418800000e-01 -1.6478140000e+00  6.9165800000e-01 -5.5861600000e-01 -1.7586750000e+00 -6.2865300000e-01 -1.2909980000e+00
+ENERGY -1.526611174849e+02
+FORCES -8.3537000000e-03 -2.5273000000e-03 -3.2107000000e-03  7.2048000000e-03  2.5170000000e-03  6.0305000000e-03  5.3310000000e-04  7.1090000000e-04 -2.8058000000e-03 -3.0240000000e-03  4.6600000000e-05 -1.4049000000e-03  2.1168000000e-03 -4.5331000000e-03 -8.1340000000e-04  1.5230000000e-03  3.7859000000e-03  2.2042000000e-03
+
+JOB 29
+COORDS  4.3740000000e-01  8.9439700000e-01  1.1438630000e+00  3.0709200000e-01  4.9527800000e-01  2.8365600000e-01 -4.4708300000e-01  1.0836160000e+00  1.4571010000e+00 -3.6648000000e-01 -8.2807900000e-01 -1.1505890000e+00 -1.2024090000e+00 -1.1088410000e+00 -7.7826400000e-01  2.6526000000e-01 -1.4753840000e+00 -8.3732800000e-01
+ENERGY -1.526598625342e+02
+FORCES -5.6504000000e-03 -2.8316000000e-03 -8.0351000000e-03  3.8589000000e-03  2.8342000000e-03  8.6208000000e-03  2.5523000000e-03 -1.2074000000e-03 -7.1560000000e-04 -1.9717000000e-03 -6.2995000000e-03  1.8079000000e-03  4.4025000000e-03  2.3079000000e-03 -1.0357000000e-03 -3.1917000000e-03  5.1964000000e-03 -6.4220000000e-04
+
+JOB 30
+COORDS -4.2171300000e-01 -8.9743400000e-01  1.0138730000e+00 -4.5820000000e-03 -1.0404800000e+00  1.8634440000e+00 -1.2717410000e+00 -1.3312790000e+00  1.0877900000e+00  4.6253900000e-01  9.3874700000e-01 -1.1337340000e+00  3.6735700000e-01  9.0507000000e-02 -7.0053500000e-01  2.7904700000e-01  1.5805260000e+00 -4.4767100000e-01
+ENERGY -1.526603343970e+02
+FORCES -1.9456000000e-03 -1.9151000000e-03  2.9519000000e-03 -2.6826000000e-03  8.1060000000e-04 -3.6478000000e-03  4.1998000000e-03  1.8295000000e-03  6.0950000000e-04 -3.5711000000e-03 -4.3399000000e-03  9.2217000000e-03  2.7596000000e-03  3.6672000000e-03 -6.2950000000e-03  1.2398000000e-03 -5.2300000000e-05 -2.8404000000e-03
+
+JOB 31
+COORDS -5.6735900000e-01  1.3279760000e+00  5.5452000000e-01 -1.1556840000e+00  7.0099100000e-01  9.7522900000e-01 -1.8442900000e-01  8.4405200000e-01 -1.7720000000e-01  5.1386000000e-01 -1.2590070000e+00 -5.4265500000e-01  1.1535720000e+00 -8.1617800000e-01 -1.1002430000e+00  1.0420030000e+00 -1.7205160000e+00  1.0873200000e-01
+ENERGY -1.526572922143e+02
+FORCES  1.0840000000e-04 -1.1133000000e-02 -2.4184000000e-03  8.2150000000e-04  3.6236000000e-03  4.6430000000e-04  7.7470000000e-04  6.5898000000e-03 -6.6070000000e-04  5.5185000000e-03 -1.1171000000e-03  2.5327000000e-03 -4.7968000000e-03  4.7080000000e-04  3.5677000000e-03 -2.4264000000e-03  1.5659000000e-03 -3.4856000000e-03
+
+JOB 32
+COORDS  8.0342200000e-01 -1.0459340000e+00 -6.6837000000e-01  1.3599870000e+00 -1.7050270000e+00 -2.5356500000e-01 -8.9442000000e-02 -1.3554320000e+00 -5.1593100000e-01 -8.0235500000e-01  1.1483940000e+00  6.6366300000e-01 -1.1702220000e+00  7.4672700000e-01 -1.2346300000e-01 -3.0903000000e-02  6.1879900000e-01  8.6521300000e-01
+ENERGY -1.526556520708e+02
+FORCES -9.9510000000e-04 -5.3397000000e-03  3.9570000000e-04 -2.9175000000e-03  3.8627000000e-03 -1.1408000000e-03  3.4407000000e-03  4.4215000000e-03  7.5900000000e-05  6.2689000000e-03 -4.6945000000e-03 -5.7396000000e-03 -8.2300000000e-04 -5.0650000000e-04  3.1415000000e-03 -4.9739000000e-03  2.2565000000e-03  3.2672000000e-03
+
+JOB 33
+COORDS -7.6458900000e-01  5.4891800000e-01  1.2343490000e+00 -1.0027500000e-01  6.5725800000e-01  5.5377500000e-01 -1.5017360000e+00  1.3406600000e-01  7.8630500000e-01  7.8476700000e-01 -5.0412400000e-01 -1.1062770000e+00  1.1006600000e+00 -2.2332900000e-01 -1.9651120000e+00  2.2472700000e-01 -1.2580210000e+00 -1.2912790000e+00
+ENERGY -1.526589201571e+02
+FORCES  3.1844000000e-03 -2.8403000000e-03 -8.6378000000e-03 -4.1627000000e-03  3.2266000000e-03  6.1965000000e-03  1.5135000000e-03  5.7470000000e-04  1.8953000000e-03 -5.7570000000e-04 -3.6936000000e-03 -3.8050000000e-03 -1.9374000000e-03 -1.4283000000e-03  4.0823000000e-03  1.9780000000e-03  4.1608000000e-03  2.6870000000e-04
+
+JOB 34
+COORDS -1.2385810000e+00 -5.8255700000e-01 -7.3268000000e-01 -6.5266400000e-01 -9.7307000000e-02 -1.3135970000e+00 -6.7086600000e-01 -9.0161900000e-01 -3.1160000000e-02  1.1812690000e+00  5.4006000000e-01  6.7074600000e-01  1.2933560000e+00  1.4744950000e+00  8.4538800000e-01  9.5445900000e-01  1.6259200000e-01  1.5206330000e+00
+ENERGY -1.526561505205e+02
+FORCES  1.0212700000e-02  4.1725000000e-03  2.2606000000e-03 -4.2265000000e-03 -1.7329000000e-03 -9.9570000000e-04 -3.8131000000e-03 -2.2425000000e-03  4.2580000000e-04 -1.9745000000e-03  3.7250000000e-03  4.0297000000e-03 -6.2700000000e-05 -4.1531000000e-03 -7.7320000000e-04 -1.3580000000e-04  2.3100000000e-04 -4.9473000000e-03
+
+JOB 35
+COORDS -4.7732100000e-01 -3.7995500000e-01  1.4179820000e+00 -1.2469900000e-01 -1.9170600000e-01  5.4824000000e-01  2.4100300000e-01 -1.7712800000e-01  2.0172340000e+00  3.8462800000e-01  3.5025400000e-01 -1.3433020000e+00  4.0767900000e-01 -2.6687400000e-01 -2.0746390000e+00  9.1779800000e-01  1.0893430000e+00 -1.6360630000e+00
+ENERGY -1.526613787178e+02
+FORCES  4.7754000000e-03  2.8018000000e-03 -6.4898000000e-03 -2.6700000000e-03 -3.0991000000e-03  9.2694000000e-03 -2.0505000000e-03 -3.0610000000e-04 -2.0591000000e-03  1.5123000000e-03  8.9990000000e-04 -4.1040000000e-03  5.0380000000e-04  3.6253000000e-03  2.9195000000e-03 -2.0710000000e-03 -3.9219000000e-03  4.6400000000e-04
+
+JOB 36
+COORDS  1.0107740000e+00 -9.0546000000e-01 -7.6403100000e-01  2.9101800000e-01 -1.5339190000e+00 -7.0726200000e-01  5.8071300000e-01 -5.1541000000e-02 -8.0987400000e-01 -8.9099700000e-01  9.2638500000e-01  7.4001900000e-01 -1.0542260000e+00  5.9418800000e-01  1.6227610000e+00 -1.6547240000e+00  6.4885100000e-01  2.3412500000e-01
+ENERGY -1.526559915913e+02
+FORCES -7.0097000000e-03  4.6628000000e-03  4.3874000000e-03  2.1602000000e-03  1.3440000000e-03 -6.0540000000e-04  2.5059000000e-03 -4.3948000000e-03 -4.9431000000e-03 -2.3498000000e-03 -3.1830000000e-03  4.3926000000e-03 -5.6570000000e-04  1.6913000000e-03 -4.0719000000e-03  5.2591000000e-03 -1.2030000000e-04  8.4050000000e-04
+
+JOB 37
+COORDS -3.2445500000e-01 -6.3145000000e-02  1.5609100000e+00 -5.1669100000e-01 -4.2158100000e-01  6.9442300000e-01  1.8528700000e-01  7.2786800000e-01  1.3857160000e+00  2.5222800000e-01 -2.0355000000e-02 -1.4921350000e+00  1.1856200000e+00 -7.7185000000e-02 -1.2877290000e+00  1.0718600000e-01  9.0338700000e-01 -1.6968190000e+00
+ENERGY -1.526583145459e+02
+FORCES  1.1150000000e-03  1.5208000000e-03 -9.0209000000e-03 -4.6310000000e-04 -7.3600000000e-05  7.6446000000e-03 -7.5160000000e-04 -1.8010000000e-03  1.3802000000e-03  4.1138000000e-03  3.6198000000e-03 -2.2633000000e-03 -5.0649000000e-03  9.8360000000e-04  6.9200000000e-05  1.0508000000e-03 -4.2495000000e-03  2.1902000000e-03
+
+JOB 38
+COORDS -2.7899200000e-01 -1.1990520000e+00  8.2703500000e-01  2.9874100000e-01 -1.9612480000e+00  8.6593900000e-01 -1.0904950000e+00 -1.5323180000e+00  4.4411300000e-01  2.5734500000e-01  1.3093170000e+00 -8.4608600000e-01 -1.0082000000e-01  6.0043900000e-01 -3.1181800000e-01  1.2057990000e+00  1.2321790000e+00 -7.4256900000e-01
+ENERGY -1.526601664299e+02
+FORCES  2.5550000000e-04 -6.0907000000e-03 -5.6720000000e-04 -3.1832000000e-03  3.0476000000e-03  1.0900000000e-05  4.5198000000e-03  2.7000000000e-03  1.1653000000e-03  2.3165000000e-03 -7.3121000000e-03  6.1960000000e-03 -1.5112000000e-03  6.7590000000e-03 -5.7199000000e-03 -2.3973000000e-03  8.9630000000e-04 -1.0851000000e-03
+
+JOB 39
+COORDS -1.1752550000e+00 -7.1862800000e-01  7.3860400000e-01 -9.6577200000e-01 -7.6800200000e-01  1.6712940000e+00 -4.4190600000e-01 -2.3933900000e-01  3.5297100000e-01  1.1355930000e+00  6.9759900000e-01 -7.1337900000e-01  3.2244800000e-01  9.4765800000e-01 -1.1521240000e+00  1.7170790000e+00  4.2468400000e-01 -1.4230430000e+00
+ENERGY -1.526590845840e+02
+FORCES  7.7921000000e-03  1.9403000000e-03  1.5894000000e-03 -9.8900000000e-04 -8.2900000000e-05 -3.0512000000e-03 -9.0583000000e-03  3.2600000000e-05  3.5300000000e-05  1.9379000000e-03 -1.1740000000e-04 -6.7343000000e-03  2.9923000000e-03 -4.1401000000e-03  5.4109000000e-03 -2.6750000000e-03  2.3676000000e-03  2.7498000000e-03
+
+JOB 40
+COORDS  6.3119000000e-01  4.1671200000e-01  1.2726450000e+00  6.7423000000e-02  6.3223800000e-01  2.0155760000e+00  1.5177180000e+00  4.2594900000e-01  1.6334970000e+00 -7.1424500000e-01 -4.7372700000e-01 -1.3719560000e+00 -1.8375200000e-01  1.1884200000e-01 -1.9045640000e+00 -3.2786100000e-01 -4.2155700000e-01 -4.9776100000e-01
+ENERGY -1.526609121949e+02
+FORCES  1.8304000000e-03  1.3671000000e-03  5.0800000000e-03  3.2584000000e-03 -1.1249000000e-03 -3.0889000000e-03 -4.2192000000e-03  6.2860000000e-04 -9.4040000000e-04  5.6985000000e-03  4.1586000000e-03  5.1697000000e-03 -1.8203000000e-03 -2.1402000000e-03  6.8570000000e-04 -4.7477000000e-03 -2.8891000000e-03 -6.9062000000e-03
+
+JOB 41
+COORDS -6.8092500000e-01  1.2428900000e+00  5.5398700000e-01 -1.1211530000e+00  2.0403930000e+00  2.6001300000e-01 -3.2039400000e-01  1.4698320000e+00  1.4111600000e+00  6.9319500000e-01 -1.3814660000e+00 -5.8149400000e-01  1.1744840000e+00 -8.1488800000e-01 -1.1844710000e+00  1.0714700000e-01 -7.8853500000e-01 -1.1116200000e-01
+ENERGY -1.526602136160e+02
+FORCES -1.4206000000e-03  5.4440000000e-03  1.9115000000e-03  2.4016000000e-03 -2.8234000000e-03  2.0923000000e-03 -1.7583000000e-03 -9.9830000000e-04 -4.2123000000e-03 -2.5244000000e-03  8.1068000000e-03  1.5940000000e-04 -6.8160000000e-04 -2.7213000000e-03  1.2840000000e-03  3.9833000000e-03 -7.0078000000e-03 -1.2350000000e-03
+
+JOB 42
+COORDS -2.9689400000e-01 -9.2087200000e-01  1.3396380000e+00  3.6093000000e-01 -3.1680100000e-01  1.6840180000e+00 -3.7506900000e-01 -6.8852200000e-01  4.1436200000e-01  2.7067700000e-01  8.1676200000e-01 -1.3201490000e+00 -4.5764800000e-01  1.4005510000e+00 -1.5322000000e+00  8.6482800000e-01  1.3546290000e+00 -7.9677900000e-01
+ENERGY -1.526585725793e+02
+FORCES  2.9845000000e-03  4.3971000000e-03 -5.9721000000e-03 -1.9692000000e-03 -1.5421000000e-03 -5.6080000000e-04 -1.6133000000e-03 -3.3807000000e-03  7.3895000000e-03  3.3440000000e-04  6.8229000000e-03 -1.1425000000e-03  3.5195000000e-03 -3.0030000000e-03  1.4843000000e-03 -3.2560000000e-03 -3.2942000000e-03 -1.1983000000e-03
+
+JOB 43
+COORDS  4.4404500000e-01  1.4368360000e+00  6.3707900000e-01 -5.0574100000e-01  1.5004660000e+00  5.3663800000e-01  7.5847900000e-01  1.1610330000e+00 -2.2390600000e-01 -3.8886500000e-01 -1.4514080000e+00 -6.3934500000e-01 -1.2825670000e+00 -1.2343010000e+00 -3.7402500000e-01  1.5176700000e-01 -1.1985370000e+00  1.0899000000e-01
+ENERGY -1.526570424351e+02
+FORCES -2.9534000000e-03  7.4990000000e-04 -6.1978000000e-03  3.4830000000e-03 -1.2123000000e-03  1.3976000000e-03 -5.0980000000e-04  7.7210000000e-04  5.4005000000e-03 -1.3328000000e-03  1.2200000000e-03  6.3183000000e-03  3.4284000000e-03  1.3750000000e-04 -1.6111000000e-03 -2.1154000000e-03 -1.6672000000e-03 -5.3076000000e-03
+
+JOB 44
+COORDS -9.6474200000e-01  6.7191600000e-01  1.1384450000e+00 -1.0703030000e+00 -1.0038500000e-01  1.6939990000e+00 -1.5194200000e-01  5.1302000000e-01  6.5850700000e-01  9.1725400000e-01 -5.9454200000e-01 -1.0725860000e+00  1.1661550000e+00 -6.7687000000e-02 -1.8319960000e+00  7.6465300000e-01 -1.4702540000e+00 -1.4276510000e+00
+ENERGY -1.526594060368e+02
+FORCES  4.9636000000e-03 -5.5625000000e-03 -2.9982000000e-03 -1.7940000000e-04  2.5121000000e-03 -1.5083000000e-03 -4.3825000000e-03  4.2992000000e-03  5.7263000000e-03 -6.8190000000e-04 -2.4120000000e-03 -5.5542000000e-03 -1.0216000000e-03 -2.5781000000e-03  3.3641000000e-03  1.3019000000e-03  3.7413000000e-03  9.7030000000e-04
+
+JOB 45
+COORDS  1.2561610000e+00  6.0039600000e-01 -8.5587600000e-01  2.1363980000e+00  2.2474200000e-01 -8.7318100000e-01  7.6127600000e-01  2.5397000000e-02 -2.7218400000e-01 -1.2146100000e+00 -5.3983700000e-01  8.0572000000e-01 -1.8355330000e+00  1.4723600000e-01  1.0478260000e+00 -1.6885600000e+00 -1.3569700000e+00  9.6031000000e-01
+ENERGY -1.526600832919e+02
+FORCES -1.5525000000e-03 -4.3774000000e-03  3.5733000000e-03 -3.3017000000e-03  9.1200000000e-04  2.2910000000e-04  7.2660000000e-03  3.5176000000e-03 -4.5704000000e-03 -6.0300000000e-03  1.0410000000e-04  1.5803000000e-03  1.9827000000e-03 -3.8966000000e-03 -4.9500000000e-04  1.6355000000e-03  3.7402000000e-03 -3.1720000000e-04
+
+JOB 46
+COORDS  5.2621800000e-01  1.4173630000e+00  4.4522700000e-01  2.7867800000e-01  2.3302370000e+00  5.9225200000e-01  1.1669560000e+00  1.2290280000e+00  1.1309510000e+00 -5.3734800000e-01 -1.4958090000e+00 -5.4068700000e-01 -9.3302100000e-01 -1.6735280000e+00  3.1259500000e-01 -2.6833800000e-01 -5.7837000000e-01 -4.9407800000e-01
+ENERGY -1.526600899288e+02
+FORCES  2.2153000000e-03  4.8506000000e-03  3.4937000000e-03  1.7251000000e-03 -3.9152000000e-03  1.2860000000e-04 -3.4086000000e-03  1.0836000000e-03 -2.8213000000e-03  3.1700000000e-05  6.2622000000e-03  3.9355000000e-03  1.3833000000e-03 -2.2730000000e-04 -2.6963000000e-03 -1.9468000000e-03 -8.0539000000e-03 -2.0402000000e-03
+
+JOB 47
+COORDS -1.4111730000e+00  7.4840300000e-01  5.9609000000e-02 -2.2347860000e+00  4.8634800000e-01  4.7097400000e-01 -1.0529510000e+00  1.4165200000e+00  6.4401300000e-01  1.4319090000e+00 -8.3047700000e-01 -1.6210200000e-01  2.2204000000e+00 -5.3107100000e-01  2.9052300000e-01  7.5026900000e-01 -2.1687900000e-01  1.1193400000e-01
+ENERGY -1.526572377285e+02
+FORCES -6.1622000000e-03  1.6724000000e-03  3.3151000000e-03  3.5363000000e-03  2.1567000000e-03 -1.7892000000e-03  7.3080000000e-04 -4.9690000000e-03 -2.7113000000e-03 -2.8254000000e-03  3.5892000000e-03  1.6008000000e-03 -3.5748000000e-03 -5.2080000000e-04 -1.3865000000e-03  8.2953000000e-03 -1.9286000000e-03  9.7100000000e-04
+
+JOB 48
+COORDS -4.4091700000e-01  1.4236740000e+00 -8.0918900000e-01 -1.1003400000e-01  5.4694000000e-01 -6.1403400000e-01 -3.9639700000e-01  1.8884850000e+00  2.6395000000e-02  4.5867000000e-01 -1.3613530000e+00  7.3500300000e-01  2.8060300000e-01 -1.6948330000e+00  1.6143860000e+00 -1.4742700000e-01 -1.8400170000e+00  1.6953100000e-01
+ENERGY -1.526585614092e+02
+FORCES  3.3978000000e-03 -3.4654000000e-03  6.5607000000e-03 -3.5436000000e-03  4.0167000000e-03 -5.0251000000e-03 -8.0600000000e-04 -3.7420000000e-04 -3.2039000000e-03 -2.6566000000e-03 -5.2539000000e-03  3.6752000000e-03  7.7300000000e-04  9.1180000000e-04 -4.0435000000e-03  2.8353000000e-03  4.1650000000e-03  2.0365000000e-03
+
+JOB 49
+COORDS  2.2489000000e-02  1.4875260000e+00 -9.1493300000e-01  8.8097000000e-02  5.6930300000e-01 -1.1772170000e+00 -5.2223800000e-01  1.4739870000e+00 -1.2796300000e-01  4.4731000000e-02 -1.4352850000e+00  8.3285000000e-01  1.3767200000e-01 -8.8989200000e-01  1.6139650000e+00 -7.4819600000e-01 -1.9476620000e+00  9.9086300000e-01
+ENERGY -1.526570227282e+02
+FORCES -1.6184000000e-03 -6.7644000000e-03  2.8216000000e-03 -3.8320000000e-04  5.7100000000e-03 -1.5019000000e-03  1.7144000000e-03  1.6141000000e-03 -1.9922000000e-03 -1.6531000000e-03 -1.5918000000e-03  5.5165000000e-03 -1.4225000000e-03 -1.8908000000e-03 -3.9169000000e-03  3.3628000000e-03  2.9229000000e-03 -9.2710000000e-04
+
+JOB 50
+COORDS  4.4450500000e-01 -7.6535000000e-02  1.6723890000e+00 -3.3599700000e-01 -3.0430400000e-01  2.1775320000e+00  5.0366600000e-01 -7.5729400000e-01  1.0020910000e+00 -4.0709300000e-01  1.8274000000e-01 -1.6316470000e+00  3.2053900000e-01 -1.8946200000e-01 -2.1298930000e+00 -1.1069540000e+00 -4.6576900000e-01 -1.7082140000e+00
+ENERGY -1.526533404543e+02
+FORCES -3.8166000000e-03 -2.3932000000e-03 -3.4824000000e-03  2.9879000000e-03  6.7090000000e-04 -1.8193000000e-03  8.2160000000e-04  5.9880000000e-04  4.4593000000e-03 -3.2860000000e-04 -2.2835000000e-03 -3.6904000000e-03 -3.1220000000e-03  1.0597000000e-03  3.1051000000e-03  3.4577000000e-03  2.3474000000e-03  1.4278000000e-03
+
+JOB 51
+COORDS -1.3497720000e+00 -1.1496530000e+00  4.6441100000e-01 -6.5884700000e-01 -5.2543300000e-01  2.4259000000e-01 -1.7721180000e+00 -7.7542400000e-01  1.2375910000e+00  1.3265950000e+00  1.0265140000e+00 -4.7082700000e-01  6.5514800000e-01  1.6354420000e+00 -7.7839400000e-01  2.1450010000e+00  1.5186000000e+00 -5.3636000000e-01
+ENERGY -1.526573136548e+02
+FORCES  3.3528000000e-03  3.7470000000e-03  2.2627000000e-03 -6.7657000000e-03 -2.6225000000e-03  8.2630000000e-04  1.2946000000e-03 -1.2342000000e-03 -3.0774000000e-03  3.7227000000e-03  5.2518000000e-03 -2.3243000000e-03  2.1500000000e-03 -3.7182000000e-03  2.4347000000e-03 -3.7543000000e-03 -1.4239000000e-03 -1.2200000000e-04
+
+JOB 52
+COORDS -1.2920950000e+00 -1.2131190000e+00  5.1563900000e-01 -1.0841540000e+00 -5.5060200000e-01 -1.4319600000e-01 -6.9382300000e-01 -1.9359250000e+00  3.2628800000e-01  1.1861410000e+00  1.1875970000e+00 -4.8478500000e-01  1.5580020000e+00  1.1156650000e+00  3.9429200000e-01  1.8102950000e+00  1.7311350000e+00 -9.6564900000e-01
+ENERGY -1.526577894743e+02
+FORCES  3.9498000000e-03  9.9520000000e-04 -4.6505000000e-03 -2.9802000000e-03 -4.3556000000e-03  3.4187000000e-03 -2.3698000000e-03  2.2407000000e-03  1.2884000000e-03  4.8197000000e-03  3.0614000000e-03  1.9175000000e-03 -1.0722000000e-03  3.8210000000e-04 -4.3110000000e-03 -2.3472000000e-03 -2.3238000000e-03  2.3369000000e-03
+
+JOB 53
+COORDS  1.2459830000e+00  1.1939250000e+00  6.5048800000e-01  6.7145900000e-01  5.0934400000e-01  3.0770000000e-01  6.7651400000e-01  1.7320790000e+00  1.2003300000e+00 -1.1920790000e+00 -1.1509280000e+00 -7.1762800000e-01 -6.0668300000e-01 -1.8889890000e+00 -5.4789600000e-01 -1.6928130000e+00 -1.0506620000e+00  9.1967000000e-02
+ENERGY -1.526569490539e+02
+FORCES -5.6211000000e-03 -7.2390000000e-04 -1.1695000000e-03  4.7277000000e-03  3.4178000000e-03  4.4027000000e-03  2.1087000000e-03 -2.2698000000e-03 -1.7029000000e-03 -2.5993000000e-03 -5.7057000000e-03  2.0546000000e-03 -2.2135000000e-03  4.6269000000e-03 -2.1090000000e-04  3.5975000000e-03  6.5460000000e-04 -3.3739000000e-03
+
+JOB 54
+COORDS  1.0878400000e+00 -9.6467400000e-01  9.5092600000e-01  1.5129050000e+00 -1.6704240000e+00  4.6361900000e-01  1.4707330000e+00 -1.0133830000e+00  1.8268560000e+00 -1.1396250000e+00  1.0540820000e+00 -9.1272800000e-01 -1.7979860000e+00  9.4640000000e-01 -1.5991670000e+00 -4.2550100000e-01  4.7164600000e-01 -1.1716260000e+00
+ENERGY -1.526546501642e+02
+FORCES  3.3060000000e-03 -2.7856000000e-03  3.8413000000e-03 -2.2735000000e-03  3.5058000000e-03  1.1378000000e-03 -1.3053000000e-03 -3.5650000000e-04 -3.7710000000e-03  1.5175000000e-03 -3.7591000000e-03 -2.2534000000e-03  2.6247000000e-03  2.9010000000e-04  2.7840000000e-03 -3.8694000000e-03  3.1054000000e-03 -1.7387000000e-03
+
+JOB 55
+COORDS -1.0363150000e+00  9.6258400000e-01  1.2489570000e+00 -9.6279100000e-01  9.3829500000e-01  2.9489400000e-01 -1.3438500000e-01  1.0513280000e+00  1.5569810000e+00  9.9457100000e-01 -9.5470200000e-01 -1.1377480000e+00  1.6400290000e+00 -9.9251000000e-01 -1.8435700000e+00  1.5427100000e-01 -1.0984530000e+00 -1.5730240000e+00
+ENERGY -1.526558748749e+02
+FORCES  6.0042000000e-03 -8.3750000000e-04 -3.1649000000e-03 -2.4364000000e-03  5.1560000000e-04  3.2834000000e-03 -4.1085000000e-03  7.5200000000e-04  8.6000000000e-06 -3.5000000000e-05 -2.6371000000e-03 -5.2729000000e-03 -2.8873000000e-03  1.8950000000e-04  3.1179000000e-03  3.4629000000e-03  2.0175000000e-03  2.0278000000e-03
+
+JOB 56
+COORDS -3.2593700000e-01 -1.7495860000e+00 -6.6230800000e-01  5.8520000000e-03 -1.0292930000e+00 -1.1983360000e+00 -2.1113200000e-01 -1.4502120000e+00  2.3959300000e-01  3.4429200000e-01  1.6488420000e+00  6.6439200000e-01  6.2344600000e-01  2.5228130000e+00  3.9148400000e-01 -6.1069700000e-01  1.6720670000e+00  6.0365800000e-01
+ENERGY -1.526569164009e+02
+FORCES  3.6223000000e-03  5.1136000000e-03  2.1409000000e-03 -2.3326000000e-03 -3.7008000000e-03  7.7210000000e-04 -2.0053000000e-03 -2.3931000000e-03 -3.4383000000e-03 -2.3606000000e-03  5.6012000000e-03 -4.6500000000e-04 -1.4770000000e-03 -3.7277000000e-03  1.0131000000e-03  4.5532000000e-03 -8.9320000000e-04 -2.2800000000e-05
+
+JOB 57
+COORDS -1.4638890000e+00  7.0376500000e-01 -8.1708800000e-01 -1.0203990000e+00  8.5200000000e-02 -1.3975410000e+00 -2.3962460000e+00  5.4718300000e-01 -9.6683100000e-01  1.4926410000e+00 -6.3093300000e-01  8.0332400000e-01  9.4145300000e-01 -4.1327000000e-01  1.5550200000e+00  2.1036080000e+00 -1.2883650000e+00  1.1360920000e+00
+ENERGY -1.526554965073e+02
+FORCES -6.3570000000e-04 -3.5436000000e-03 -3.5356000000e-03 -3.4814000000e-03  2.9112000000e-03  1.4965000000e-03  3.7825000000e-03  5.5030000000e-04  8.7570000000e-04 -4.0220000000e-04 -7.1320000000e-04  5.0658000000e-03  3.3949000000e-03 -1.8023000000e-03 -2.3761000000e-03 -2.6581000000e-03  2.5975000000e-03 -1.5263000000e-03
+
+JOB 58
+COORDS  8.1114800000e-01  1.5776450000e+00 -8.3376300000e-01  9.9324900000e-01  7.6604900000e-01 -1.3074540000e+00  1.0192300000e+00  1.3750370000e+00  7.8314000000e-02 -8.3143700000e-01 -1.5327860000e+00  7.3679800000e-01 -1.6853600000e-01 -1.1082020000e+00  1.2813370000e+00 -1.5496740000e+00 -1.7254280000e+00  1.3395050000e+00
+ENERGY -1.526536482687e+02
+FORCES  4.3020000000e-04 -5.0553000000e-03  1.1458000000e-03  3.1250000000e-04  4.0591000000e-03  1.9512000000e-03 -5.8470000000e-04  5.9960000000e-04 -2.8289000000e-03 -1.5873000000e-03  8.0390000000e-04  5.0342000000e-03 -1.7639000000e-03 -1.0948000000e-03 -2.8823000000e-03  3.1932000000e-03  6.8750000000e-04 -2.4200000000e-03
+
+JOB 59
+COORDS -1.2996450000e+00 -1.5173780000e+00 -1.0097000000e-01 -1.7455280000e+00 -7.5884500000e-01 -4.7786300000e-01 -6.0857200000e-01 -1.1426500000e+00  4.4513300000e-01  1.3164660000e+00  1.4452940000e+00  3.0857000000e-02  7.3866400000e-01  2.1646950000e+00  2.8549300000e-01  1.3346240000e+00  8.6988500000e-01  7.9558300000e-01
+ENERGY -1.526537082150e+02
+FORCES  1.8203000000e-03  5.3519000000e-03 -7.7330000000e-04  9.4080000000e-04 -3.3634000000e-03  2.0412000000e-03 -2.6753000000e-03 -1.7714000000e-03 -5.2090000000e-04 -4.8930000000e-04  2.1085000000e-03  4.2694000000e-03  2.0536000000e-03 -3.7239000000e-03 -1.2606000000e-03 -1.6501000000e-03  1.3983000000e-03 -3.7558000000e-03
+
+JOB 60
+COORDS  6.5755300000e-01  3.7781000000e-01 -1.7873180000e+00  1.2673690000e+00  4.2468000000e-02 -2.4445110000e+00  9.8619400000e-01  3.3187000000e-02 -9.5697900000e-01 -6.4204400000e-01 -3.3179900000e-01  1.7648910000e+00 -1.0994690000e+00 -1.9421600000e-01  2.5943880000e+00 -1.3325130000e+00 -5.7217000000e-01  1.1470670000e+00
+ENERGY -1.526565280993e+02
+FORCES  4.2974000000e-03 -2.3095000000e-03  1.6053000000e-03 -2.4246000000e-03  1.3186000000e-03  2.5956000000e-03 -1.2865000000e-03  1.0013000000e-03 -5.3637000000e-03 -5.4813000000e-03  1.7210000000e-04  1.4445000000e-03  1.5885000000e-03 -7.5690000000e-04 -3.3733000000e-03  3.3064000000e-03  5.7440000000e-04  3.0916000000e-03
+
+JOB 61
+COORDS  1.7424550000e+00 -5.4672000000e-01  7.9173900000e-01  9.8662700000e-01 -4.3075900000e-01  1.3675070000e+00  1.4939130000e+00 -1.2662140000e+00  2.1140600000e-01 -1.7421510000e+00  6.1899800000e-01 -7.6593600000e-01 -8.9184900000e-01  9.5299200000e-01 -1.0517090000e+00 -1.6819560000e+00 -3.2821300000e-01 -8.9003300000e-01
+ENERGY -1.526549959129e+02
+FORCES -3.6836000000e-03 -2.8181000000e-03  1.4952000000e-03  3.6869000000e-03 -8.1360000000e-04 -2.9345000000e-03  4.8010000000e-04  3.4728000000e-03  1.7156000000e-03  3.7807000000e-03 -1.6102000000e-03 -2.6952000000e-03 -4.3989000000e-03 -1.7501000000e-03  1.1865000000e-03  1.3470000000e-04  3.5192000000e-03  1.2325000000e-03
+
+JOB 62
+COORDS  1.2775660000e+00 -3.2995400000e-01  1.5869280000e+00  1.0416000000e+00 -1.2107140000e+00  1.2956990000e+00  1.7556510000e+00  4.7008000000e-02  8.4830300000e-01 -1.2571960000e+00  4.2056600000e-01 -1.5204870000e+00 -2.1790580000e+00  2.0454800000e-01 -1.3799900000e+00 -8.6780300000e-01 -3.9042300000e-01 -1.8474460000e+00
+ENERGY -1.526535717197e+02
+FORCES  7.1100000000e-05 -9.8010000000e-04 -4.9252000000e-03  1.0909000000e-03  3.0421000000e-03  1.1621000000e-03 -1.0674000000e-03 -2.1900000000e-03  3.2909000000e-03 -3.0158000000e-03 -3.7878000000e-03 -3.0920000000e-04  3.8365000000e-03  7.2910000000e-04 -9.1350000000e-04 -9.1540000000e-04  3.1867000000e-03  1.6950000000e-03
+
+JOB 63
+COORDS  1.4000990000e+00 -1.4289910000e+00  7.9279400000e-01  9.1491800000e-01 -1.5712800000e+00 -1.9970000000e-02  1.0098860000e+00 -6.4069600000e-01  1.1703620000e+00 -1.3215390000e+00  1.3424550000e+00 -7.1986300000e-01 -2.2401200000e+00  1.5251500000e+00 -9.1750800000e-01 -8.3148800000e-01  1.9518680000e+00 -1.2718580000e+00
+ENERGY -1.526565268768e+02
+FORCES -4.8228000000e-03  3.3944000000e-03 -2.0511000000e-03  2.8059000000e-03 -4.4500000000e-04  3.0160000000e-03  2.7485000000e-03 -3.5520000000e-03 -6.4560000000e-04 -2.6047000000e-03  3.9718000000e-03 -3.3469000000e-03  3.9342000000e-03 -6.3280000000e-04  6.5100000000e-04 -2.0611000000e-03 -2.7364000000e-03  2.3767000000e-03
+
+JOB 64
+COORDS -8.4782200000e-01  1.5301780000e+00  1.2950520000e+00 -1.4614950000e+00  8.6230400000e-01  1.6009650000e+00 -2.1364400000e-01  1.6173800000e+00  2.0067020000e+00  7.8944400000e-01 -1.4886010000e+00 -1.3099810000e+00  7.2486800000e-01 -1.8130150000e+00 -2.2082110000e+00  1.7243040000e+00 -1.3305060000e+00 -1.1785460000e+00
+ENERGY -1.526536082402e+02
+FORCES  1.5300000000e-04 -3.4609000000e-03  3.4340000000e-03  2.1291000000e-03  3.2548000000e-03 -6.5530000000e-04 -2.3915000000e-03 -1.1410000000e-04 -2.7880000000e-03  3.5294000000e-03  2.0790000000e-04 -3.2540000000e-03  2.1890000000e-04  1.1679000000e-03  3.7121000000e-03 -3.6389000000e-03 -1.0557000000e-03 -4.4870000000e-04
+
+JOB 65
+COORDS -2.4666400000e-01  1.2192210000e+00  1.7227890000e+00 -2.7413100000e-01  9.3222400000e-01  2.6355370000e+00 -4.6848800000e-01  2.1497340000e+00  1.7570220000e+00  2.9660500000e-01 -1.3178690000e+00 -1.7833030000e+00 -6.2782900000e-01 -1.1467190000e+00 -1.9631960000e+00  6.4635400000e-01 -4.7311300000e-01 -1.4999370000e+00
+ENERGY -1.526553501990e+02
+FORCES -9.9990000000e-04  2.2565000000e-03  4.8207000000e-03  7.9000000000e-06  1.5658000000e-03 -3.6962000000e-03  9.2080000000e-04 -3.9077000000e-03 -4.5840000000e-04 -2.5020000000e-03  4.7275000000e-03  1.9001000000e-03  3.5114000000e-03 -9.6950000000e-04  4.0900000000e-05 -9.3820000000e-04 -3.6727000000e-03 -2.6073000000e-03
+
+JOB 66
+COORDS -9.8096200000e-01  1.7171870000e+00  1.0946830000e+00 -1.4616680000e+00  1.3945190000e+00  1.8569420000e+00 -3.0949400000e-01  1.0537420000e+00  9.3593100000e-01  9.3090800000e-01 -1.6904040000e+00 -1.1782820000e+00  1.4227000000e+00 -8.6933700000e-01 -1.1931710000e+00  1.0844500000e+00 -2.0462760000e+00 -3.0306100000e-01
+ENERGY -1.526535896429e+02
+FORCES  3.5100000000e-05 -4.4105000000e-03  2.1260000000e-03  2.1553000000e-03  1.3992000000e-03 -3.0071000000e-03 -1.8312000000e-03  3.0521000000e-03  9.9160000000e-04  3.2943000000e-03  1.0725000000e-03  2.2847000000e-03 -2.5843000000e-03 -3.3245000000e-03  9.4960000000e-04 -1.0691000000e-03  2.2112000000e-03 -3.3448000000e-03
+
+JOB 67
+COORDS  1.6653500000e+00 -2.8898100000e-01 -1.3791680000e+00  1.9497170000e+00 -1.1374300000e+00 -1.7190250000e+00  2.4092190000e+00  2.5199000000e-02 -8.6518300000e-01 -1.7420250000e+00  2.7314600000e-01  1.4064590000e+00 -1.9464590000e+00  3.6927500000e-01  4.7629900000e-01 -1.3535960000e+00  1.1120190000e+00  1.6547470000e+00
+ENERGY -1.526546922303e+02
+FORCES  4.2856000000e-03 -2.7656000000e-03  1.1476000000e-03 -1.0538000000e-03  3.5751000000e-03  1.1871000000e-03 -2.9796000000e-03 -1.0160000000e-03 -2.2522000000e-03  1.6512000000e-03  3.5302000000e-03 -3.7834000000e-03 -2.0410000000e-04 -1.7810000000e-04  4.2006000000e-03 -1.6994000000e-03 -3.1456000000e-03 -4.9990000000e-04
+
+JOB 68
+COORDS -4.3332900000e-01 -7.7213100000e-01 -2.1177220000e+00 -9.5997700000e-01  1.6918000000e-02 -1.9901480000e+00  4.4651000000e-01 -5.2155300000e-01 -1.8360740000e+00  4.2259400000e-01  7.3693700000e-01  2.0356630000e+00  8.0858900000e-01 -4.9304000000e-02  2.4217530000e+00 -1.7639600000e-01  1.0645040000e+00  2.7065890000e+00
+ENERGY -1.526552758043e+02
+FORCES  1.5535000000e-03  4.8045000000e-03  2.7951000000e-03  1.6781000000e-03 -3.2377000000e-03 -1.2945000000e-03 -3.2192000000e-03 -1.5417000000e-03 -1.9334000000e-03 -1.0995000000e-03 -2.1558000000e-03  4.7928000000e-03 -1.3964000000e-03  3.4104000000e-03 -1.6042000000e-03  2.4835000000e-03 -1.2797000000e-03 -2.7558000000e-03
+
+JOB 69
+COORDS  6.1839200000e-01  1.3017060000e+00 -1.8031210000e+00  7.6856600000e-01  3.6188300000e-01 -1.7010820000e+00  7.1283400000e-01  1.4592260000e+00 -2.7425360000e+00 -6.1093100000e-01 -1.2246520000e+00  1.7966240000e+00 -1.4710440000e+00 -1.2660240000e+00  2.2146250000e+00 -5.9828000000e-02 -1.8030930000e+00  2.3238100000e+00
+ENERGY -1.526543140228e+02
+FORCES  6.8620000000e-04 -3.7773000000e-03 -2.5630000000e-03 -4.8500000000e-05  4.1502000000e-03 -1.4679000000e-03 -4.0600000000e-04 -5.5510000000e-04  3.7647000000e-03 -1.6234000000e-03 -1.9766000000e-03  4.2815000000e-03  3.5902000000e-03 -1.0910000000e-04 -1.6221000000e-03 -2.1985000000e-03  2.2680000000e-03 -2.3933000000e-03
+
+JOB 70
+COORDS -6.5814500000e-01  2.1945750000e+00  5.8894400000e-01 -2.0124100000e-01  2.2339660000e+00 -2.5124600000e-01 -1.5845530000e+00  2.2762770000e+00  3.6239400000e-01  6.5049500000e-01 -2.2290890000e+00 -5.8267300000e-01  3.3981300000e-01 -2.0500130000e+00  3.0481800000e-01  1.5556250000e+00 -1.9177240000e+00 -5.8748100000e-01
+ENERGY -1.526550507920e+02
+FORCES -2.2301000000e-03  6.1220000000e-04 -4.7651000000e-03 -1.6350000000e-03 -1.1600000000e-05  3.6713000000e-03  3.7883000000e-03 -2.3840000000e-04  1.0710000000e-03  2.3134000000e-03  2.1563000000e-03  4.1675000000e-03  1.3471000000e-03 -1.2902000000e-03 -3.8449000000e-03 -3.5837000000e-03 -1.2283000000e-03 -2.9990000000e-04
+
+JOB 71
+COORDS -2.3011100000e+00 -5.8827900000e-01  1.1613170000e+00 -2.3781140000e+00 -1.3274100000e-01  1.9996410000e+00 -2.9640350000e+00 -1.7994300000e-01  6.0452000000e-01  2.3193310000e+00  6.0376000000e-01 -1.2220760000e+00  2.1948560000e+00 -3.4255900000e-01 -1.2943150000e+00  2.6546990000e+00  7.3469000000e-01 -3.3516200000e-01
+ENERGY -1.526544350840e+02
+FORCES -3.0963000000e-03  3.8249000000e-03  8.7440000000e-04  3.9600000000e-04 -1.9378000000e-03 -3.3233000000e-03  2.5601000000e-03 -1.8010000000e-03  2.4210000000e-03  2.4050000000e-04 -3.6312000000e-03  3.6070000000e-03  9.5290000000e-04  3.8720000000e-03  2.3500000000e-05 -1.0533000000e-03 -3.2680000000e-04 -3.6025000000e-03
+
+JOB 72
+COORDS  2.1644980000e+00  1.6870160000e+00  5.1305100000e-01  1.6545750000e+00  9.6812200000e-01  8.8641600000e-01  2.7374080000e+00  1.9702680000e+00  1.2256340000e+00 -2.1732760000e+00 -1.6874790000e+00 -6.2993400000e-01 -2.6487390000e+00 -1.9079560000e+00  1.7103900000e-01 -1.5558020000e+00 -1.0066080000e+00 -3.6277600000e-01
+ENERGY -1.526535880760e+02
+FORCES  8.6030000000e-04 -1.6201000000e-03  4.5180000000e-03  1.4217000000e-03  2.8356000000e-03 -1.7139000000e-03 -2.4558000000e-03 -1.1942000000e-03 -2.9522000000e-03  3.0930000000e-04  2.0330000000e-03  4.0044000000e-03  2.1249000000e-03  9.2020000000e-04 -3.2217000000e-03 -2.2604000000e-03 -2.9744000000e-03 -6.3460000000e-04
+
+JOB 73
+COORDS -7.7100000000e-03  1.5610070000e+00 -2.3873970000e+00  9.0328400000e-01  1.8032840000e+00 -2.2211940000e+00 -3.4455600000e-01  1.2929510000e+00 -1.5324620000e+00 -5.5884000000e-02 -1.6087740000e+00  2.3055240000e+00  7.7079000000e-01 -1.6184790000e+00  2.7879630000e+00 -2.8770700000e-01 -6.8202900000e-01  2.2452480000e+00
+ENERGY -1.526536831856e+02
+FORCES  2.3481000000e-03 -5.0980000000e-04  3.9466000000e-03 -3.7626000000e-03 -8.7100000000e-04 -5.4950000000e-04  1.4023000000e-03  1.4610000000e-03 -3.2138000000e-03  2.3856000000e-03  3.3407000000e-03  2.2704000000e-03 -3.4363000000e-03  1.7080000000e-04 -2.1263000000e-03  1.0629000000e-03 -3.5917000000e-03 -3.2740000000e-04
+
+JOB 74
+COORDS -1.1575840000e+00  2.3767340000e+00  1.1696580000e+00 -1.3703510000e+00  1.9490020000e+00  1.9991200000e+00 -1.1281110000e+00  1.6631820000e+00  5.3231400000e-01  1.1717930000e+00 -2.3331000000e+00 -1.2404510000e+00  1.0304340000e+00 -1.4637560000e+00 -8.6563100000e-01  1.2355350000e+00 -2.9138760000e+00 -4.8225100000e-01
+ENERGY -1.526535908657e+02
+FORCES -1.3038000000e-03 -4.2708000000e-03  8.2130000000e-04  1.0909000000e-03  1.6158000000e-03 -3.5266000000e-03  4.2840000000e-04  2.6069000000e-03  2.7140000000e-03  2.3790000000e-04  9.6060000000e-04  4.5114000000e-03 -1.1000000000e-05 -3.4322000000e-03 -1.4145000000e-03 -4.4240000000e-04  2.5197000000e-03 -3.1056000000e-03
+
+JOB 75
+COORDS  1.1397100000e-01 -1.2472900000e-01 -2.9113120000e+00 -7.7166900000e-01  2.3835900000e-01 -2.9177070000e+00  6.8560600000e-01  6.3497100000e-01 -3.0223130000e+00 -1.2495100000e-01  8.9718000000e-02  2.8659730000e+00  7.0487800000e-01  3.1421100000e-01  3.2869450000e+00 -4.4920800000e-01 -6.6278900000e-01  3.3607680000e+00
+ENERGY -1.526539954832e+02
+FORCES -1.4001000000e-03  4.6868000000e-03  1.8310000000e-04  3.5615000000e-03 -1.5080000000e-03 -3.5120000000e-04 -2.2073000000e-03 -3.0886000000e-03  1.9370000000e-04  2.1927000000e-03 -2.4645000000e-03  3.4996000000e-03 -3.4054000000e-03 -7.8600000000e-04 -1.6410000000e-03  1.2585000000e-03  3.1602000000e-03 -1.8841000000e-03
+
+JOB 76
+COORDS  8.9037900000e-01  2.8466670000e+00 -1.6611670000e+00  1.2747540000e+00  3.6782880000e+00 -1.9384650000e+00 -1.7919000000e-02  2.8906150000e+00 -1.9599870000e+00 -8.1599300000e-01 -2.9140660000e+00  1.6529240000e+00 -1.7543010000e+00 -3.0818540000e+00  1.5654210000e+00 -7.3155800000e-01 -2.4521580000e+00  2.4870370000e+00
+ENERGY -1.526538436563e+02
+FORCES -2.1312000000e-03  3.3900000000e-03 -2.4219000000e-03 -1.5687000000e-03 -3.3762000000e-03  1.1687000000e-03  3.6780000000e-03 -6.6600000000e-05  1.2469000000e-03 -3.3119000000e-03  1.4143000000e-03  2.9983000000e-03  3.7759000000e-03  6.4980000000e-04  3.3620000000e-04 -4.4200000000e-04 -2.0113000000e-03 -3.3282000000e-03
+
+JOB 77
+COORDS -8.9730900000e-01  2.6552520000e+00  2.6159220000e+00 -1.2853360000e+00  1.9443470000e+00  3.1260990000e+00 -1.1804500000e-01  2.2673360000e+00  2.2178010000e+00  8.6850300000e-01 -2.6533650000e+00 -2.5816180000e+00  9.7254200000e-01 -2.5858200000e+00 -3.5307470000e+00  8.7317100000e-01 -1.7467640000e+00 -2.2745600000e+00
+ENERGY -1.526540800071e+02
+FORCES  1.5541000000e-03 -4.5037000000e-03  6.5400000000e-04  1.6062000000e-03  2.9362000000e-03 -2.1356000000e-03 -3.1712000000e-03  1.5879000000e-03  1.4516000000e-03  4.0130000000e-04  3.9282000000e-03 -2.8238000000e-03 -4.0560000000e-04 -2.7020000000e-04  3.9145000000e-03  1.5100000000e-05 -3.6783000000e-03 -1.0607000000e-03
+
+JOB 78
+COORDS  1.9321760000e+00  1.7753400000e-01 -3.3564550000e+00  1.3906320000e+00  3.3220100000e-01 -2.5824780000e+00  2.7630010000e+00 -1.4519100000e-01 -3.0074420000e+00 -1.9091910000e+00 -2.1961100000e-01  3.3331880000e+00 -2.7108400000e+00  2.2967400000e-01  3.6010210000e+00 -1.6858740000e+00  1.7115900000e-01  2.4884040000e+00
+ENERGY -1.526539683871e+02
+FORCES  1.3148000000e-03 -7.9830000000e-04  4.5410000000e-03  2.0776000000e-03 -5.4600000000e-04 -3.0964000000e-03 -3.4353000000e-03  1.3665000000e-03 -1.4281000000e-03 -2.5592000000e-03  3.4313000000e-03 -2.2187000000e-03  3.3266000000e-03 -1.8337000000e-03 -1.1246000000e-03 -7.2460000000e-04 -1.6198000000e-03  3.3267000000e-03
+
+JOB 79
+COORDS -1.2818510000e+00 -1.1300940000e+00  4.3932740000e+00 -5.8082600000e-01 -6.0504700000e-01  4.7794370000e+00 -1.6564020000e+00 -1.6105410000e+00  5.1315920000e+00  1.3038000000e+00  1.1185430000e+00 -4.5198320000e+00  4.0591400000e-01  7.9987400000e-01 -4.4277280000e+00  1.4771260000e+00  1.5870350000e+00 -3.7033120000e+00
+ENERGY -1.526542007722e+02
+FORCES  1.3217000000e-03  1.1570000000e-04  4.6577000000e-03 -2.8582000000e-03 -2.1077000000e-03 -1.6235000000e-03  1.5297000000e-03  1.9781000000e-03 -3.0187000000e-03 -3.0030000000e-03  5.4130000000e-04  3.7856000000e-03  3.6676000000e-03  1.3288000000e-03 -4.4090000000e-04 -6.5790000000e-04 -1.8562000000e-03 -3.3602000000e-03
+
+JOB 80
+COORDS -3.4003470000e+00  2.2172370000e+00  2.5026560000e+00 -3.6898310000e+00  2.1719810000e+00  1.5914030000e+00 -3.3875030000e+00  3.1528910000e+00  2.7041960000e+00  3.4579500000e+00 -2.2746240000e+00 -2.4083720000e+00  3.6379240000e+00 -2.5497140000e+00 -3.3073530000e+00  2.5624600000e+00 -1.9375690000e+00 -2.4352570000e+00
+ENERGY -1.526540116875e+02
+FORCES -1.1220000000e-03  3.6645000000e-03 -2.8263000000e-03  1.2002000000e-03  1.5530000000e-04  3.6787000000e-03 -6.5800000000e-05 -3.8270000000e-03 -8.4840000000e-04 -2.9424000000e-03  2.2920000000e-04 -3.7055000000e-03 -7.3260000000e-04  1.1358000000e-03  3.6554000000e-03  3.6626000000e-03 -1.3578000000e-03  4.6300000000e-05
+
+JOB 81
+COORDS -3.9388040000e+00 -1.4414400000e-01 -2.7983700000e+00 -4.4389880000e+00 -9.0145400000e-01 -2.4941840000e+00 -3.4302720000e+00  1.2988200000e-01 -2.0351290000e+00  3.9478120000e+00  1.1671600000e-01  2.7171170000e+00  4.5861080000e+00  8.2970100000e-01  2.7386280000e+00  3.1802490000e+00  4.6806900000e-01  3.1683700000e+00
+ENERGY -1.526540689442e+02
+FORCES  1.0460000000e-04 -2.0394000000e-03  4.3302000000e-03  2.0088000000e-03  3.1132000000e-03 -1.2315000000e-03 -2.1184000000e-03 -1.0659000000e-03 -3.0880000000e-03 -4.2320000000e-04  4.3614000000e-03  1.9388000000e-03 -2.6355000000e-03 -2.9133000000e-03 -7.8100000000e-05  3.0636000000e-03 -1.4560000000e-03 -1.8714000000e-03
+
+JOB 82
+COORDS  1.3074820000e+00 -4.5010460000e+00 -1.1861100000e+00  1.8555170000e+00 -4.8778400000e+00 -1.8745250000e+00  7.7760300000e-01 -3.8421960000e+00 -1.6348610000e+00 -1.2936500000e+00  4.5437840000e+00  1.2200520000e+00 -1.8267480000e+00  4.4438520000e+00  2.0087550000e+00 -1.0241000000e+00  3.6525510000e+00  9.9806500000e-01
+ENERGY -1.526541132601e+02
+FORCES  1.2020000000e-04  1.0654000000e-03 -4.6987000000e-03 -2.2511000000e-03  1.5546000000e-03  2.8190000000e-03  2.1367000000e-03 -2.6271000000e-03  1.8924000000e-03 -1.0486000000e-03 -4.0440000000e-03  2.3900000000e-03  2.1595000000e-03  4.1660000000e-04 -3.2401000000e-03 -1.1166000000e-03  3.6344000000e-03  8.3730000000e-04
+
+JOB 83
+COORDS -7.5460800000e-01  3.0276260000e+00  3.8095290000e+00 -8.9399800000e-01  2.2164170000e+00  4.2981420000e+00  1.2114100000e-01  2.9344580000e+00  3.4345420000e+00  7.2292100000e-01 -3.0045190000e+00 -3.7584220000e+00  3.0859000000e-02 -2.3994640000e+00 -4.0252350000e+00  1.2461100000e+00 -3.1345440000e+00 -4.5493690000e+00
+ENERGY -1.526541823843e+02
+FORCES  3.0223000000e-03 -3.7554000000e-03  4.4580000000e-04  5.5090000000e-04  3.3367000000e-03 -1.9663000000e-03 -3.5733000000e-03  4.2970000000e-04  1.5352000000e-03 -7.2660000000e-04  1.9229000000e-03 -4.3606000000e-03  2.8463000000e-03 -2.4689000000e-03  1.1068000000e-03 -2.1196000000e-03  5.3500000000e-04  3.2392000000e-03
+
+JOB 84
+COORDS -4.4710270000e+00  2.7156400000e+00 -2.1145550000e+00 -4.3202820000e+00  1.8959810000e+00 -2.5853710000e+00 -5.2054210000e+00  2.5255300000e+00 -1.5308130000e+00  4.5146180000e+00 -2.6684960000e+00  2.1681980000e+00  4.9134880000e+00 -1.9256220000e+00  1.7151270000e+00  4.0452320000e+00 -3.1438080000e+00  1.4826410000e+00
+ENERGY -1.526540795664e+02
+FORCES -2.4249000000e-03 -4.0989000000e-03  4.8410000000e-04 -5.8060000000e-04  3.3344000000e-03  1.9131000000e-03  3.0060000000e-03  7.6710000000e-04 -2.3959000000e-03 -2.7520000000e-04  1.1343000000e-03 -4.6417000000e-03 -1.6244000000e-03 -3.0546000000e-03  1.8449000000e-03  1.8991000000e-03  1.9178000000e-03  2.7956000000e-03
+
+JOB 85
+COORDS -2.4067090000e+00 -2.6888620000e+00 -4.8512130000e+00 -1.7625950000e+00 -3.0496200000e+00 -4.2419480000e+00 -2.0264490000e+00 -2.8357970000e+00 -5.7172640000e+00  2.3804350000e+00  2.7185250000e+00  4.9207470000e+00  2.7760180000e+00  2.6293030000e+00  4.0536920000e+00  1.4381150000e+00  2.7380190000e+00  4.7537580000e+00
+ENERGY -1.526540897769e+02
+FORCES  4.1518000000e-03 -2.1229000000e-03 -1.0914000000e-03 -2.6167000000e-03  1.5102000000e-03 -2.4598000000e-03 -1.5403000000e-03  6.1560000000e-04  3.5493000000e-03 -2.2577000000e-03 -2.5670000000e-04 -4.2138000000e-03 -1.5967000000e-03  3.4520000000e-04  3.5335000000e-03  3.8595000000e-03 -9.1500000000e-05  6.8220000000e-04
+
+JOB 86
+COORDS  3.4029770000e+00  5.1025220000e+00  2.6430800000e+00  4.3356600000e+00  5.1747610000e+00  2.8458510000e+00  2.9780440000e+00  5.0141910000e+00  3.4962270000e+00 -3.4871140000e+00 -5.0810410000e+00 -2.7309700000e+00 -2.6910960000e+00 -5.4489420000e+00 -3.1146850000e+00 -3.3211130000e+00 -5.0806920000e+00 -1.7882750000e+00
+ENERGY -1.526540665938e+02
+FORCES  2.0640000000e-03 -3.2100000000e-05  4.3049000000e-03 -3.8044000000e-03 -3.0970000000e-04 -8.2700000000e-04  1.7383000000e-03  3.4310000000e-04 -3.4802000000e-03  3.9442000000e-03 -1.4553000000e-03  2.2753000000e-03 -3.2545000000e-03  1.4785000000e-03  1.5661000000e-03 -6.8760000000e-04 -2.4500000000e-05 -3.8391000000e-03
+
+JOB 87
+COORDS -6.9892950000e+00  2.6301200000e+00  1.0081250000e+00 -6.8733440000e+00  1.7521720000e+00  1.3714350000e+00 -7.8850030000e+00  2.8712300000e+00  1.2443530000e+00  7.0326500000e+00 -2.5568350000e+00 -1.0903660000e+00  7.5612520000e+00 -2.5534640000e+00 -2.9236800000e-01  6.4902270000e+00 -3.3419590000e+00 -1.0156070000e+00
+ENERGY -1.526540478890e+02
+FORCES -3.1758000000e-03 -2.5918000000e-03  2.4354000000e-03 -4.7530000000e-04  3.5779000000e-03 -1.4763000000e-03  3.6538000000e-03 -9.8680000000e-04 -9.6000000000e-04 -6.8000000000e-05 -3.1721000000e-03  3.5587000000e-03 -2.1527000000e-03 -2.1600000000e-05 -3.2551000000e-03  2.2180000000e-03  3.1944000000e-03 -3.0270000000e-04
+
+JOB 88
+COORDS  5.5271860000e+00 -5.5667850000e+00 -1.5912400000e-01  6.2599920000e+00 -5.1123930000e+00 -5.7476200000e-01  5.1532180000e+00 -4.9209490000e+00  4.4027200000e-01 -5.5437670000e+00  5.4961020000e+00  2.0440100000e-01 -5.4473570000e+00  6.2844670000e+00 -3.2984400000e-01 -5.7404100000e+00  4.8022520000e+00 -4.2499200000e-01
+ENERGY -1.526540872422e+02
+FORCES  1.4633000000e-03  4.4895000000e-03  7.6680000000e-04 -2.9893000000e-03 -1.8545000000e-03  1.6869000000e-03  1.5272000000e-03 -2.6360000000e-03 -2.4546000000e-03 -4.3310000000e-04  3.8680000000e-04 -4.7484000000e-03 -3.8260000000e-04 -3.2169000000e-03  2.1805000000e-03  8.1450000000e-04  2.8312000000e-03  2.5688000000e-03
+
+JOB 89
+COORDS -3.5285330000e+00  7.2719420000e+00  3.3301900000e-01 -3.1514980000e+00  7.9050950000e+00 -2.7787800000e-01 -2.8652780000e+00  6.5857830000e+00  4.0724200000e-01  3.4726060000e+00 -7.2057110000e+00 -2.7082700000e-01  3.6136200000e+00 -7.3909000000e+00 -1.1992940000e+00  3.2823840000e+00 -8.0594540000e+00  1.1798100000e-01
+ENERGY -1.526540946718e+02
+FORCES  4.2542000000e-03 -2.3560000000e-04 -2.1812000000e-03 -1.5436000000e-03 -2.5734000000e-03  2.4878000000e-03 -2.7107000000e-03  2.8113000000e-03 -3.0760000000e-04 -2.0470000000e-04 -4.2524000000e-03 -2.1942000000e-03 -5.7360000000e-04  7.6460000000e-04  3.7842000000e-03  7.7830000000e-04  3.4855000000e-03 -1.5890000000e-03
+
+JOB 0
+COORDS -5.9628000000e-01  8.7439500000e-01  5.0884500000e-01 -1.0001940000e+00  4.7138200000e-01  1.2773930000e+00 -1.1618470000e+00  1.6187070000e+00  3.0301700000e-01  7.1120900000e-01 -8.9135100000e-01 -5.8182100000e-01  2.3772100000e-01 -1.7060730000e+00 -4.1368900000e-01  2.2915100000e-01 -2.2748300000e-01 -8.8739000000e-02
+ENERGY -1.526499001681e+02
+FORCES  1.2529900000e-02 -1.6985500000e-02 -1.5398900000e-02  2.4876000000e-03  5.2100000000e-04 -6.4019000000e-03  1.4647000000e-03 -4.2976000000e-03  4.2201000000e-03 -1.6088300000e-02  2.1600700000e-02  1.0067500000e-02 -5.9150000000e-04  3.9615000000e-03  1.8427000000e-03  1.9760000000e-04 -4.8002000000e-03  5.6705000000e-03
+
+JOB 1
+COORDS -1.8776800000e-01  9.4644700000e-01 -7.6946600000e-01 -1.0835320000e+00  1.0889150000e+00 -1.0753120000e+00  3.0946900000e-01  7.5388500000e-01 -1.5643930000e+00  2.2960100000e-01 -1.0104180000e+00  8.2637100000e-01  7.7177000000e-02 -3.7259400000e-01  1.2910500000e-01  6.6161000000e-02 -5.2538400000e-01  1.6352350000e+00
+ENERGY -1.526562904280e+02
+FORCES  1.7990000000e-04 -1.0278700000e-02  6.8100000000e-03  5.5938000000e-03 -1.0942000000e-03  1.2877000000e-03 -3.9812000000e-03 -1.3310000000e-03  5.8998000000e-03 -4.6247000000e-03  2.1192300000e-02 -1.2848200000e-02  3.1558000000e-03 -7.4198000000e-03  6.1390000000e-04 -3.2360000000e-04 -1.0686000000e-03 -1.7631000000e-03
+
+JOB 2
+COORDS -1.3485000000e-02 -6.0612700000e-01  1.1838240000e+00 -1.9553500000e-01 -9.5640000000e-02  3.9484200000e-01  9.1297400000e-01 -4.4688900000e-01  1.3642370000e+00 -8.4042000000e-02  5.7923900000e-01 -1.1097010000e+00  7.3789200000e-01  1.0697710000e+00 -1.1154890000e+00  3.9649000000e-02 -1.0409000000e-01 -1.7684830000e+00
+ENERGY -1.526558316388e+02
+FORCES  4.3570000000e-04  1.1612000000e-02 -2.0545100000e-02  1.0755000000e-03 -3.7332000000e-03  7.5782000000e-03 -1.9354000000e-03  4.0070000000e-04 -1.8096000000e-03  3.8111000000e-03 -8.2307000000e-03  9.4994000000e-03 -3.8186000000e-03 -4.3704000000e-03  1.4480000000e-03  4.3170000000e-04  4.3216000000e-03  3.8290000000e-03
+
+JOB 3
+COORDS -4.3124500000e-01  1.1895510000e+00  4.4326600000e-01 -6.1992000000e-02  3.4984300000e-01  1.6981600000e-01 -8.8555200000e-01  1.5162410000e+00 -3.3333600000e-01  3.8847900000e-01 -1.1454390000e+00 -4.2095900000e-01  3.4510900000e-01 -1.6592680000e+00  3.8547100000e-01  1.3233250000e+00 -9.9173400000e-01 -5.5760300000e-01
+ENERGY -1.526578609024e+02
+FORCES  4.3210000000e-03 -1.8970300000e-02 -1.0097600000e-02  9.3590000000e-04  7.5884000000e-03  6.1999000000e-03  1.6504000000e-03 -1.0461000000e-03  1.5452000000e-03 -1.0467000000e-03  5.4613000000e-03  4.1754000000e-03  7.2670000000e-04  5.6028000000e-03 -4.1988000000e-03 -6.5874000000e-03  1.3640000000e-03  2.3758000000e-03
+
+JOB 4
+COORDS -1.6819600000e-01  1.0147330000e+00  8.4810200000e-01  4.7470300000e-01  1.1867040000e+00  1.5360980000e+00  2.4416500000e-01  3.5148700000e-01  2.9466300000e-01  1.1900400000e-01 -9.2870400000e-01 -8.1984600000e-01  1.2682200000e-01 -1.8249060000e+00 -4.8370400000e-01 -1.0062300000e-01 -1.0219850000e+00 -1.7468270000e+00
+ENERGY -1.526573032418e+02
+FORCES  2.0108000000e-03 -1.1384800000e-02 -1.1296600000e-02 -1.0682000000e-03 -3.3117000000e-03 -3.2837000000e-03  1.4603000000e-03  4.5124000000e-03  6.6407000000e-03 -3.5474000000e-03  7.9015000000e-03  5.8841000000e-03  3.7320000000e-04  4.2190000000e-03 -2.5435000000e-03  7.7140000000e-04 -1.9364000000e-03  4.5990000000e-03
+
+JOB 5
+COORDS -1.3083620000e+00 -3.0650900000e-01 -4.3210700000e-01 -3.7393900000e-01 -4.1213500000e-01 -6.1079400000e-01 -1.3437520000e+00  6.1764000000e-02  4.5070300000e-01  1.2169600000e+00  2.5673800000e-01  4.3066400000e-01  1.7629960000e+00 -7.0987000000e-02 -2.8395000000e-01  1.3135610000e+00  1.2081650000e+00  3.8960200000e-01
+ENERGY -1.526548467532e+02
+FORCES  1.4673000000e-02  3.7685000000e-03  9.3666000000e-03 -5.9680000000e-04 -2.9176000000e-03 -6.6885000000e-03 -3.6741000000e-03  3.6520000000e-04 -1.8184000000e-03 -2.7395000000e-03  2.8537000000e-03 -3.2777000000e-03 -6.7781000000e-03  9.6220000000e-04  1.9849000000e-03 -8.8450000000e-04 -5.0321000000e-03  4.3310000000e-04
+
+JOB 6
+COORDS -2.6665000000e-02  1.1450690000e+00  5.7038200000e-01  6.8980500000e-01  1.4501540000e+00  1.1270020000e+00 -7.7221500000e-01  1.6921870000e+00  8.1746200000e-01  1.8762000000e-02 -1.2508560000e+00 -6.6448100000e-01  5.9267900000e-01 -1.2668860000e+00  1.0141300000e-01 -3.5585700000e-01 -3.7000800000e-01 -6.6525900000e-01
+ENERGY -1.526563693126e+02
+FORCES  1.6268000000e-03 -3.2633000000e-03 -8.9800000000e-05 -4.0060000000e-03 -1.8568000000e-03 -1.7370000000e-03  3.7206000000e-03 -3.1890000000e-03 -1.8783000000e-03  1.3173000000e-03  1.3971100000e-02  9.6386000000e-03  9.0580000000e-04 -2.8178000000e-03 -1.5872000000e-03 -3.5644000000e-03 -2.8442000000e-03 -4.3463000000e-03
+
+JOB 7
+COORDS  2.4357600000e-01  4.4322100000e-01  1.2566610000e+00 -2.3467000000e-02 -1.9425500000e-01  1.9188880000e+00  1.1327690000e+00  1.8216400000e-01  1.0170440000e+00 -2.8749300000e-01 -3.5532000000e-01 -1.3360630000e+00 -1.2895200000e-01 -3.9535000000e-02 -4.4646900000e-01 -2.9104400000e-01 -1.3090830000e+00 -1.2550910000e+00
+ENERGY -1.526579728556e+02
+FORCES  9.4030000000e-04 -3.6035000000e-03  8.0270000000e-04  2.1647000000e-03  2.6440000000e-03 -4.3026000000e-03 -8.1799000000e-03 -4.4230000000e-04 -2.3500000000e-03 -3.9400000000e-04  2.4422000000e-03  1.3941300000e-02  4.7350000000e-03 -4.0792000000e-03 -9.1071000000e-03  7.3390000000e-04  3.0388000000e-03  1.0157000000e-03
+
+JOB 8
+COORDS  1.0612610000e+00 -7.8556200000e-01 -8.7360000000e-02  1.9021120000e+00 -3.4312500000e-01  2.8621000000e-02  1.1318410000e+00 -1.5783090000e+00  4.4443200000e-01 -1.1177790000e+00  8.6132600000e-01  2.3683000000e-02 -1.7708770000e+00  4.3852400000e-01  5.8129600000e-01 -4.0136800000e-01  2.2869400000e-01 -2.8877000000e-02
+ENERGY -1.526604618779e+02
+FORCES -8.2490000000e-04  2.9261000000e-03  2.6963000000e-03 -3.9338000000e-03 -3.5111000000e-03 -4.7900000000e-05  6.4700000000e-05  4.3798000000e-03 -2.2115000000e-03  1.0120100000e-02 -1.0061600000e-02  3.9560000000e-04  2.6499000000e-03  1.3850000000e-04 -1.3445000000e-03 -8.0761000000e-03  6.1283000000e-03  5.1200000000e-04
+
+JOB 9
+COORDS -6.2168000000e-01 -8.2697000000e-01 -9.7080500000e-01 -1.2326530000e+00 -3.4933100000e-01 -1.5318800000e+00 -9.0609000000e-02 -1.4517700000e-01 -5.5928000000e-01  6.4995700000e-01  7.2769700000e-01  9.2377200000e-01  3.0379200000e-01  3.8392500000e-01  1.7473150000e+00  5.8731500000e-01  1.6784420000e+00  1.0153740000e+00
+ENERGY -1.526604263604e+02
+FORCES  5.0643000000e-03  8.6531000000e-03  6.7135000000e-03  2.3019000000e-03 -2.5560000000e-04  2.5102000000e-03 -4.7753000000e-03 -5.0993000000e-03 -7.6993000000e-03 -4.1561000000e-03 -1.8928000000e-03  2.4066000000e-03  2.2641000000e-03  3.4245000000e-03 -3.3449000000e-03 -6.9890000000e-04 -4.8298000000e-03 -5.8610000000e-04
+
+JOB 10
+COORDS  2.8902400000e-01  1.0496380000e+00  8.2062400000e-01  1.0806110000e+00  7.0300000000e-01  4.0896300000e-01  5.8349200000e-01  1.3741360000e+00  1.6716360000e+00 -4.0745900000e-01 -1.0870290000e+00 -8.4215600000e-01 -1.9987100000e-01 -2.2124700000e-01 -4.9064400000e-01  3.7083300000e-01 -1.3367180000e+00 -1.3403010000e+00
+ENERGY -1.526530264155e+02
+FORCES  1.7600000000e-03 -3.4034000000e-03  3.2394000000e-03 -8.3704000000e-03 -1.2912000000e-03 -2.6219000000e-03  6.3000000000e-05 -1.3198000000e-03 -4.3083000000e-03  5.5460000000e-04  6.1065000000e-03  4.1855000000e-03  7.5880000000e-03 -2.7558000000e-03 -4.1580000000e-03 -1.5952000000e-03  2.6637000000e-03  3.6634000000e-03
+
+JOB 11
+COORDS  9.3718500000e-01 -3.1499300000e-01 -8.9703500000e-01  1.8768050000e+00 -2.1243800000e-01 -1.0481290000e+00  6.2111200000e-01 -7.9070900000e-01 -1.6651640000e+00 -9.7475100000e-01  3.8238300000e-01  1.0028900000e+00 -2.9122700000e-01  1.7440000000e-01  3.6588900000e-01 -1.7072560000e+00 -1.8508500000e-01  7.6278900000e-01
+ENERGY -1.526602709229e+02
+FORCES -8.9300000000e-05  6.4690000000e-04  7.5080000000e-04 -4.5001000000e-03 -1.4904000000e-03 -1.1250000000e-03  2.0019000000e-03  2.1080000000e-03  3.7469000000e-03  7.3850000000e-03 -4.3722000000e-03 -8.5088000000e-03 -7.1718000000e-03  1.7371000000e-03  5.3753000000e-03  2.3743000000e-03  1.3707000000e-03 -2.3920000000e-04
+
+JOB 12
+COORDS  8.1277400000e-01  7.8499900000e-01 -9.0623600000e-01  4.5150800000e-01  2.7997300000e-01 -1.7776700000e-01  3.8602100000e-01  1.6393120000e+00 -8.4094500000e-01 -7.9773300000e-01 -7.6615700000e-01  8.1886500000e-01 -4.2552100000e-01 -5.2333200000e-01  1.6666420000e+00 -6.3209400000e-01 -1.7059690000e+00  7.4436600000e-01
+ENERGY -1.526590691976e+02
+FORCES -9.9632000000e-03 -4.8704000000e-03  6.7568000000e-03  8.3748000000e-03  5.6412000000e-03 -1.9324000000e-03  1.5117000000e-03 -2.4603000000e-03  4.5730000000e-04  1.8000000000e-04 -4.0185000000e-03  6.9790000000e-04  2.3310000000e-04  3.7590000000e-04 -7.0985000000e-03 -3.3640000000e-04  5.3321000000e-03  1.1189000000e-03
+
+JOB 13
+COORDS  1.0515080000e+00 -7.3595600000e-01 -7.2235400000e-01  3.8167000000e-01 -7.2898700000e-01 -3.8614000000e-02  1.3559570000e+00  1.7032200000e-01 -7.6930100000e-01 -9.6898400000e-01  6.6181300000e-01  7.1357200000e-01 -1.7818120000e+00  1.6195500000e-01  6.3817300000e-01 -1.1732890000e+00  1.5122580000e+00  3.2468400000e-01
+ENERGY -1.526575775443e+02
+FORCES -7.3422000000e-03  9.5636000000e-03  7.1976000000e-03  2.1926000000e-03 -6.6511000000e-03 -2.3643000000e-03  9.2260000000e-04 -2.2009000000e-03 -1.7743000000e-03 -1.6498000000e-03  1.5975000000e-03 -5.0662000000e-03  5.1297000000e-03  1.4204000000e-03 -5.2800000000e-05  7.4720000000e-04 -3.7295000000e-03  2.0599000000e-03
+
+JOB 14
+COORDS  1.3162590000e+00 -5.5675900000e-01  3.2729000000e-01  1.5734860000e+00  2.1442400000e-01  8.3260500000e-01  5.2979200000e-01 -2.8303600000e-01 -1.4470400000e-01 -1.2178680000e+00  4.7935100000e-01 -3.4559500000e-01 -1.6224310000e+00  1.3367730000e+00 -4.7745800000e-01 -1.9028650000e+00 -4.8702000000e-02  6.4493000000e-02
+ENERGY -1.526604037573e+02
+FORCES -9.6524000000e-03  7.8206000000e-03 -1.6458000000e-03  2.1350000000e-04 -2.1779000000e-03 -1.0430000000e-03  6.4425000000e-03 -5.0482000000e-03  1.2701000000e-03 -5.8470000000e-04  1.5840000000e-04  2.1336000000e-03  8.0140000000e-04 -4.2113000000e-03  1.6345000000e-03  2.7796000000e-03  3.4584000000e-03 -2.3494000000e-03
+
+JOB 15
+COORDS  1.2248690000e+00  5.7930200000e-01  5.1380100000e-01  5.4506400000e-01  2.2557800000e-01 -5.9763000000e-02  1.9592760000e+00 -2.7052000000e-02  4.1781200000e-01 -1.2242840000e+00 -4.7059300000e-01 -5.2483500000e-01 -1.3893300000e+00 -4.0271200000e-01  4.1558100000e-01 -1.1003760000e+00 -1.4070090000e+00 -6.7976700000e-01
+ENERGY -1.526602032647e+02
+FORCES -5.9974000000e-03 -4.4383000000e-03 -6.9665000000e-03  7.7953000000e-03  2.0200000000e-03  7.3476000000e-03 -3.4658000000e-03  1.0608000000e-03 -8.0700000000e-05 -2.4799000000e-03 -3.4589000000e-03  4.5359000000e-03  3.0609000000e-03 -3.6170000000e-04 -6.0809000000e-03  1.0869000000e-03  5.1781000000e-03  1.2446000000e-03
+
+JOB 16
+COORDS -6.9669600000e-01 -1.2852400000e+00 -1.0796800000e-01 -8.5093000000e-02 -5.5004400000e-01 -1.4871200000e-01 -3.5618500000e-01 -1.8421650000e+00  5.9211700000e-01  6.9353500000e-01  1.2434930000e+00  4.0297000000e-02  6.2707400000e-01  1.6284540000e+00  9.1415000000e-01 -1.8495800000e-01  1.3334330000e+00 -3.2901600000e-01
+ENERGY -1.526588375070e+02
+FORCES  8.9448000000e-03  5.0942000000e-03  3.3670000000e-03 -9.1874000000e-03 -2.6430000000e-03 -3.0680000000e-03 -1.2815000000e-03  1.8839000000e-03 -1.9206000000e-03 -4.5349000000e-03  3.5651000000e-03  3.6062000000e-03  3.4430000000e-04 -1.8204000000e-03 -4.4017000000e-03  5.7146000000e-03 -6.0798000000e-03  2.4171000000e-03
+
+JOB 17
+COORDS -1.2843690000e+00 -4.0641600000e-01 -3.2449300000e-01 -1.1968880000e+00 -1.1616730000e+00  2.5702700000e-01 -2.0414120000e+00 -6.1221300000e-01 -8.7291500000e-01  1.3484460000e+00  5.1050300000e-01  2.6862600000e-01  1.7469460000e+00  3.1381200000e-01  1.1164130000e+00  5.4702100000e-01 -1.2666000000e-02  2.5299700000e-01
+ENERGY -1.526555197213e+02
+FORCES -2.6830000000e-03 -1.5106000000e-03 -2.7488000000e-03  3.8575000000e-03  5.8327000000e-03 -2.4286000000e-03  2.6881000000e-03  1.6870000000e-04  3.5134000000e-03 -6.7754000000e-03 -1.5154000000e-03 -7.5720000000e-04 -2.9308000000e-03 -3.5920000000e-04 -3.0566000000e-03  5.8435000000e-03 -2.6161000000e-03  5.4779000000e-03
+
+JOB 18
+COORDS -6.5993900000e-01 -1.2747470000e+00 -4.1042900000e-01 -2.3621300000e-01 -1.1786300000e+00 -1.2633360000e+00 -6.2540400000e-01 -3.9914000000e-01 -2.5264000000e-02  6.2651200000e-01  1.1610300000e+00  3.9585600000e-01  9.6337700000e-01  2.0208890000e+00  1.4406800000e-01  4.0407800000e-01  1.2523230000e+00  1.3223660000e+00
+ENERGY -1.526582937932e+02
+FORCES  6.9281000000e-03  1.0061400000e-02 -1.2573000000e-03 -2.0115000000e-03 -1.8355000000e-03  1.3596000000e-03 -4.6731000000e-03 -5.4324000000e-03  2.2693000000e-03  1.2395000000e-03  2.3168000000e-03  1.4679000000e-03 -9.5600000000e-04 -4.1576000000e-03  1.8135000000e-03 -5.2700000000e-04 -9.5270000000e-04 -5.6531000000e-03
+
+JOB 19
+COORDS  5.2585700000e-01  9.2429300000e-01 -8.8569200000e-01 -8.7399000000e-02  1.3476020000e+00 -1.4864900000e+00  1.3799840000e+00  1.0214740000e+00 -1.3067080000e+00 -5.1759200000e-01 -1.0098860000e+00  9.5326200000e-01 -1.0390940000e+00 -5.1763700000e-01  1.5872640000e+00 -4.5908800000e-01 -4.3334000000e-01  1.9141900000e-01
+ENERGY -1.526591535677e+02
+FORCES  4.2034000000e-03  1.0760000000e-04 -1.9776000000e-03  2.2509000000e-03 -3.2015000000e-03  3.8275000000e-03 -4.5086000000e-03  1.1303000000e-03  8.8350000000e-04  3.1287000000e-03  8.4575000000e-03 -4.5233000000e-03  1.3725000000e-03 -1.2746000000e-03 -2.3870000000e-03 -6.4470000000e-03 -5.2193000000e-03  4.1769000000e-03
+
+JOB 20
+COORDS  1.2591130000e+00 -3.6250200000e-01  7.1072500000e-01  4.3281600000e-01 -9.8206000000e-02  3.0623400000e-01  1.0411860000e+00 -5.0276600000e-01  1.6321730000e+00 -1.1944000000e+00  3.1406800000e-01 -6.8336700000e-01 -1.4405740000e+00  1.2390380000e+00 -6.7552500000e-01 -1.1214070000e+00  9.3018000000e-02 -1.6118280000e+00
+ENERGY -1.526621393216e+02
+FORCES -1.0015100000e-02  1.5552000000e-03 -2.3066000000e-03  9.6315000000e-03 -1.8957000000e-03  5.0257000000e-03  2.1320000000e-04  9.1370000000e-04 -2.8160000000e-03 -6.6770000000e-04  2.1870000000e-03 -4.3264000000e-03  1.4359000000e-03 -4.7604000000e-03 -2.5990000000e-04 -5.9780000000e-04  2.0001000000e-03  4.6833000000e-03
+
+JOB 21
+COORDS  3.9734300000e-01  7.7869700000e-01  1.1203480000e+00  5.2906700000e-01  1.2732510000e+00  3.1146100000e-01  4.8194600000e-01  1.4302300000e+00  1.8164640000e+00 -4.0373900000e-01 -8.7776300000e-01 -1.1801990000e+00 -8.6845200000e-01 -8.4826000000e-02 -9.1275900000e-01 -4.0864000000e-02 -1.2290420000e+00 -3.6708300000e-01
+ENERGY -1.526575900580e+02
+FORCES  2.3547000000e-03  4.2326000000e-03 -5.1910000000e-04 -3.2210000000e-03 -2.2959000000e-03  3.8708000000e-03 -3.5200000000e-04 -2.5613000000e-03 -3.8167000000e-03 -5.1810000000e-04  1.7549000000e-03  9.3389000000e-03  2.7369000000e-03 -1.3340000000e-04 -3.4808000000e-03 -1.0004000000e-03 -9.9690000000e-04 -5.3930000000e-03
+
+JOB 22
+COORDS -1.6900700000e-01 -6.3498300000e-01 -1.2761260000e+00 -3.9645800000e-01 -1.4482890000e+00 -1.7267150000e+00 -9.9599200000e-01 -3.2640000000e-01 -9.0585000000e-01  1.7804400000e-01  7.0019800000e-01  1.2853460000e+00  7.7856900000e-01  5.7109500000e-01  5.5122500000e-01  5.1093900000e-01  1.2253300000e-01  1.9721620000e+00
+ENERGY -1.526590620870e+02
+FORCES -5.0711000000e-03 -7.9300000000e-04  2.1727000000e-03  2.2690000000e-04  3.0916000000e-03  2.6231000000e-03  3.4286000000e-03 -2.1964000000e-03 -4.4155000000e-03  4.7057000000e-03 -5.4856000000e-03 -3.5946000000e-03 -2.0534000000e-03  3.2669000000e-03  5.4579000000e-03 -1.2367000000e-03  2.1165000000e-03 -2.2437000000e-03
+
+JOB 23
+COORDS -1.8216200000e-01 -1.4229780000e+00  1.5574100000e-01  2.5483300000e-01 -1.6142040000e+00  9.8562100000e-01 -1.1086050000e+00 -1.3472710000e+00  3.8422200000e-01  1.6980000000e-01  1.4604360000e+00 -2.5583300000e-01  2.8318600000e-01  5.1822600000e-01 -1.3087500000e-01  7.5934900000e-01  1.8600040000e+00  3.8370600000e-01
+ENERGY -1.526605526935e+02
+FORCES -4.5631000000e-03 -2.3603000000e-03  3.9339000000e-03 -1.7861000000e-03  3.0768000000e-03 -4.2956000000e-03  5.4895000000e-03 -4.0490000000e-04 -6.4020000000e-04  1.6934000000e-03 -8.7974000000e-03  1.6867000000e-03  1.1635000000e-03  1.1068100000e-02  7.9480000000e-04 -1.9971000000e-03 -2.5824000000e-03 -1.4797000000e-03
+
+JOB 24
+COORDS -7.1079800000e-01  1.1475630000e+00  4.5183700000e-01 -5.6065100000e-01  1.9447070000e+00 -5.6345000000e-02 -3.6741100000e-01  1.3495630000e+00  1.3221890000e+00  6.7346700000e-01 -1.2662860000e+00 -4.6609700000e-01  1.3216690000e+00 -8.0653200000e-01 -9.9966400000e-01  2.3383300000e-01 -5.7369300000e-01  2.7124000000e-02
+ENERGY -1.526597611564e+02
+FORCES  6.5280000000e-04  5.0155000000e-03 -5.4500000000e-04 -2.7080000000e-04 -3.5355000000e-03  3.2114000000e-03 -5.0550000000e-04 -2.3464000000e-03 -5.3868000000e-03 -3.8249000000e-03  1.0395400000e-02  1.0578000000e-03 -1.5774000000e-03 -1.4409000000e-03  1.3637000000e-03  5.5257000000e-03 -8.0881000000e-03  2.9900000000e-04
+
+JOB 25
+COORDS -1.4732070000e+00  3.2833900000e-01  2.1242700000e-01 -1.3872830000e+00  9.2129600000e-01 -5.3406600000e-01 -6.2480600000e-01 -1.1131400000e-01  2.6858100000e-01  1.3720370000e+00 -2.9773700000e-01 -1.9817800000e-01  1.5384180000e+00 -1.2197970000e+00 -3.9402300000e-01  2.0596090000e+00 -5.6361000000e-02  4.2247800000e-01
+ENERGY -1.526608409190e+02
+FORCES  1.0758700000e-02  2.0230000000e-04 -3.8768000000e-03 -1.8159000000e-03 -1.1846000000e-03  2.1127000000e-03 -8.7084000000e-03 -7.6830000000e-04  1.9144000000e-03  4.5126000000e-03 -1.1200000000e-03  1.3489000000e-03 -1.6868000000e-03  4.7684000000e-03  1.8333000000e-03 -3.0602000000e-03 -1.8979000000e-03 -3.3324000000e-03
+
+JOB 26
+COORDS -1.3727560000e+00 -4.2030000000e-03 -3.1734100000e-01 -1.7752640000e+00 -6.1165300000e-01 -9.3800400000e-01 -1.9392830000e+00  7.6714400000e-01 -3.3475300000e-01  1.4812970000e+00  3.6970000000e-02  3.5046800000e-01  1.3219360000e+00 -6.4219800000e-01  1.0058810000e+00  7.3459100000e-01 -2.4480000000e-02 -2.4525600000e-01
+ENERGY -1.526597505220e+02
+FORCES -4.0823000000e-03  2.7011000000e-03 -5.6850000000e-04  2.8616000000e-03  3.0221000000e-03  2.9778000000e-03  1.7308000000e-03 -4.4016000000e-03 -5.0750000000e-04 -1.0705000000e-02 -2.1662000000e-03 -8.3700000000e-05  1.8121000000e-03  1.6298000000e-03 -1.6541000000e-03  8.3828000000e-03 -7.8520000000e-04 -1.6400000000e-04
+
+JOB 27
+COORDS -6.7415900000e-01  1.0824480000e+00  7.5335800000e-01 -3.9907000000e-01  1.8954000000e-01  9.6138100000e-01 -2.4591200000e-01  1.6257710000e+00  1.4148990000e+00  6.3506700000e-01 -1.0052540000e+00 -7.6549500000e-01  1.3141380000e+00 -1.3079590000e+00 -1.3683750000e+00 -4.8661000000e-02 -1.6729730000e+00 -8.1934100000e-01
+ENERGY -1.526543915543e+02
+FORCES  6.3739000000e-03 -4.5028000000e-03 -2.7670000000e-04 -4.9867000000e-03  2.9760000000e-03  2.5715000000e-03 -1.2294000000e-03 -1.9173000000e-03 -2.7253000000e-03 -4.9900000000e-05 -1.4370000000e-03 -4.1673000000e-03 -3.2190000000e-03  1.3510000000e-03  2.3512000000e-03  3.1111000000e-03  3.5301000000e-03  2.2466000000e-03
+
+JOB 28
+COORDS -9.3351900000e-01  7.1417000000e-01 -9.6825600000e-01 -3.4579300000e-01  5.7023500000e-01 -1.7099390000e+00 -7.6391400000e-01 -2.2569000000e-02 -3.8116000000e-01  9.0491800000e-01 -7.1071900000e-01  9.5235600000e-01  1.3957150000e+00  1.1065100000e-01  9.7883200000e-01  9.5036000000e-02 -5.2173700000e-01  1.4262840000e+00
+ENERGY -1.526563946018e+02
+FORCES  7.3236000000e-03 -7.0844000000e-03  2.1520000000e-04 -2.4511000000e-03  1.8535000000e-03  1.9431000000e-03 -5.1403000000e-03  4.0302000000e-03  1.5879000000e-03  4.9710000000e-04  6.9769000000e-03  2.9513000000e-03 -1.6546000000e-03 -4.6066000000e-03 -1.0000000000e-07  1.4253000000e-03 -1.1696000000e-03 -6.6974000000e-03
+
+JOB 29
+COORDS  6.9000000000e-02 -1.0373140000e+00  1.1526570000e+00  1.1727200000e-01 -1.3077420000e+00  2.3572200000e-01  4.2289700000e-01 -1.4796500000e-01  1.1595220000e+00 -8.0057000000e-02  9.4307200000e-01 -1.1228830000e+00  4.9995400000e-01  1.6942740000e+00 -9.9832700000e-01 -9.0778300000e-01  1.2100880000e+00 -7.2312900000e-01
+ENERGY -1.526574097797e+02
+FORCES  2.2984000000e-03  5.3906000000e-03 -9.0899000000e-03 -8.1340000000e-04 -2.5675000000e-03  4.6206000000e-03 -1.0618000000e-03 -1.6541000000e-03  3.6342000000e-03 -2.6797000000e-03  3.9217000000e-03  1.1621000000e-03 -2.4952000000e-03 -4.1545000000e-03  1.1621000000e-03  4.7518000000e-03 -9.3620000000e-04 -1.4891000000e-03
+
+JOB 30
+COORDS  1.1383140000e+00  9.2153100000e-01  1.2081900000e-01  1.8961970000e+00  6.9314700000e-01 -4.1740600000e-01  7.1220200000e-01  1.6345010000e+00 -3.5492800000e-01 -1.2030960000e+00 -9.1713300000e-01 -1.0557000000e-01 -2.4778200000e-01 -9.2746600000e-01 -1.6473800000e-01 -1.4010520000e+00 -1.4392600000e+00  6.7188000000e-01
+ENERGY -1.526575295124e+02
+FORCES -1.2459000000e-03  5.3056000000e-03 -3.2732000000e-03 -4.8261000000e-03 -9.8070000000e-04  2.2439000000e-03  3.5733000000e-03 -2.7919000000e-03  1.9057000000e-03  6.8578000000e-03  1.9496000000e-03  4.1080000000e-03 -5.2506000000e-03 -5.2747000000e-03 -2.2479000000e-03  8.9150000000e-04  1.7920000000e-03 -2.7364000000e-03
+
+JOB 31
+COORDS -1.3625770000e+00 -2.1176900000e-01  5.2365200000e-01 -1.9964280000e+00  4.8793500000e-01  6.8138000000e-01 -1.5806380000e+00 -5.4106200000e-01 -3.4827000000e-01  1.4417970000e+00  2.3486300000e-01 -5.0521400000e-01  5.1059800000e-01  3.0354000000e-02 -5.9051200000e-01  1.8013810000e+00 -4.9155500000e-01  3.9500000000e-03
+ENERGY -1.526560623216e+02
+FORCES -4.8500000000e-03  3.0982000000e-03 -1.2690000000e-04  2.4372000000e-03 -3.9225000000e-03 -9.7170000000e-04  5.6744000000e-03  2.9112000000e-03  3.4122000000e-03 -6.7116000000e-03 -3.3655000000e-03  6.4830000000e-03  3.6747000000e-03 -1.0342000000e-03 -6.3109000000e-03 -2.2460000000e-04  2.3128000000e-03 -2.4858000000e-03
+
+JOB 32
+COORDS -6.2697000000e-02 -1.4157600000e-01  1.5448050000e+00  3.3057200000e-01  6.8320700000e-01  1.8299410000e+00  4.9528000000e-02 -1.4497400000e-01  5.9421300000e-01  6.9306000000e-02  5.1674000000e-02 -1.4737820000e+00  2.4087900000e-01  9.8241400000e-01 -1.6170190000e+00 -7.5607200000e-01 -1.1314200000e-01 -1.9296540000e+00
+ENERGY -1.526607883248e+02
+FORCES  2.1134000000e-03  1.9791000000e-03 -8.2063000000e-03 -1.3368000000e-03 -2.2258000000e-03 -1.5444000000e-03 -3.9930000000e-04  7.1880000000e-04  1.0619200000e-02 -3.6442000000e-03  2.6062000000e-03 -4.6744000000e-03 -1.0402000000e-03 -4.5498000000e-03  2.0016000000e-03  4.3070000000e-03  1.4715000000e-03  1.8044000000e-03
+
+JOB 33
+COORDS  3.0291200000e-01  1.4684490000e+00  1.0264300000e-01  8.4231200000e-01  1.3304760000e+00  8.8125900000e-01 -5.7393400000e-01  1.6408990000e+00  4.4562100000e-01 -2.3435800000e-01 -1.4908720000e+00 -1.2475600000e-01 -9.2893500000e-01 -1.9896510000e+00 -5.5488900000e-01 -3.1102600000e-01 -6.0914900000e-01 -4.8933400000e-01
+ENERGY -1.526595328519e+02
+FORCES  8.9160000000e-04  7.8580000000e-04  7.3224000000e-03 -2.7389000000e-03  1.8924000000e-03 -3.5841000000e-03  3.5635000000e-03 -2.3583000000e-03 -2.8874000000e-03 -9.2800000000e-05  5.0501000000e-03 -3.2069000000e-03  2.1312000000e-03  3.1957000000e-03  1.5265000000e-03 -3.7547000000e-03 -8.5656000000e-03  8.2950000000e-04
+
+JOB 34
+COORDS  7.8715700000e-01  1.2612450000e+00  3.1406800000e-01  1.6066990000e+00  1.4599810000e+00 -1.3879900000e-01  9.7819800000e-01  4.7185400000e-01  8.2062200000e-01 -8.9734800000e-01 -1.2564750000e+00 -3.5174800000e-01 -4.2951900000e-01 -1.5417800000e+00  4.3308900000e-01 -5.1838600000e-01 -4.0248600000e-01 -5.5989000000e-01
+ENERGY -1.526562884673e+02
+FORCES  6.0406000000e-03 -7.0600000000e-05  1.9789000000e-03 -4.2558000000e-03 -1.4936000000e-03  2.1573000000e-03 -3.0799000000e-03  1.4327000000e-03 -4.3329000000e-03  3.3768000000e-03  5.9584000000e-03  1.9921000000e-03 -2.2280000000e-04  2.0277000000e-03 -2.3879000000e-03 -1.8588000000e-03 -7.8546000000e-03  5.9250000000e-04
+
+JOB 35
+COORDS -5.4148200000e-01 -1.6714900000e-01  1.4033530000e+00 -4.0793300000e-01  7.7958700000e-01  1.3576630000e+00 -1.4922230000e+00 -2.7657600000e-01  1.3846720000e+00  6.3869700000e-01  1.4793400000e-01 -1.4389930000e+00  4.4252400000e-01 -7.5643500000e-01 -1.1943170000e+00 -4.2920000000e-02  6.6570400000e-01 -1.0105730000e+00
+ENERGY -1.526548450346e+02
+FORCES -1.7260000000e-03  3.8139000000e-03  2.1052000000e-03 -1.6162000000e-03 -4.3681000000e-03 -2.1393000000e-03  4.8837000000e-03  5.5640000000e-04 -1.6774000000e-03 -4.5872000000e-03 -4.1592000000e-03  7.8067000000e-03  1.2770000000e-03  2.3884000000e-03 -4.2160000000e-03  1.7686000000e-03  1.7685000000e-03 -1.8793000000e-03
+
+JOB 36
+COORDS -8.0002200000e-01  8.7828000000e-01  9.3235800000e-01 -1.3420790000e+00  1.3876050000e+00  3.2986700000e-01 -1.3374580000e+00  1.1796000000e-01  1.1544140000e+00  8.5613500000e-01 -9.3008500000e-01 -9.0437000000e-01  8.4158700000e-01 -2.8952000000e-01 -1.9324700000e-01  1.0325180000e+00 -4.1251000000e-01 -1.6900150000e+00
+ENERGY -1.526592874492e+02
+FORCES -6.3639000000e-03 -2.0853000000e-03 -2.5526000000e-03  2.4544000000e-03 -1.9707000000e-03  2.6312000000e-03  2.5993000000e-03  4.0065000000e-03 -5.3660000000e-04 -1.4366000000e-03  7.5505000000e-03  2.7009000000e-03  3.7394000000e-03 -5.8147000000e-03 -4.7335000000e-03 -9.9260000000e-04 -1.6863000000e-03  2.4906000000e-03
+
+JOB 37
+COORDS  4.0183900000e-01 -8.8189400000e-01  1.2514540000e+00  1.1434630000e+00 -7.0679800000e-01  6.7217300000e-01 -3.5104900000e-01 -9.4817600000e-01  6.6408700000e-01 -3.9991900000e-01  9.4206700000e-01 -1.1552100000e+00  7.4292000000e-02  6.0218600000e-01 -1.9140490000e+00 -9.0348200000e-01  1.9474800000e-01 -8.3245400000e-01
+ENERGY -1.526496406754e+02
+FORCES  9.6250000000e-04  4.5537000000e-03 -6.5383000000e-03 -2.2047000000e-03 -2.9323000000e-03  2.7114000000e-03 -1.9200000000e-04  1.1681000000e-03 -1.2220000000e-03 -9.8760000000e-04 -3.5423000000e-03 -1.5232000000e-03 -1.3554000000e-03  1.1009000000e-03  4.7189000000e-03  3.7772000000e-03 -3.4800000000e-04  1.8532000000e-03
+
+JOB 38
+COORDS  1.1365210000e+00  9.6758200000e-01 -3.6157600000e-01  6.3987700000e-01  1.5177670000e+00 -9.6727700000e-01  1.3333760000e+00  1.7612300000e-01 -8.6264800000e-01 -1.1458640000e+00 -1.0230080000e+00  4.2638100000e-01 -4.5408800000e-01 -7.0925400000e-01 -1.5605900000e-01 -1.4021460000e+00 -2.5165300000e-01  9.3191300000e-01
+ENERGY -1.526550095169e+02
+FORCES  1.7502000000e-03  1.0508000000e-03 -4.8853000000e-03  1.3934000000e-03 -3.7573000000e-03  3.7219000000e-03 -5.3239000000e-03  2.3090000000e-03  3.8924000000e-03  5.1269000000e-03  8.5636000000e-03  1.4304000000e-03 -1.5358000000e-03 -4.6794000000e-03 -2.6274000000e-03 -1.4108000000e-03 -3.4867000000e-03 -1.5319000000e-03
+
+JOB 39
+COORDS  1.4359770000e+00 -2.0216700000e-01 -4.5786100000e-01  2.1989800000e+00  1.4701200000e-01  2.7170000000e-03  1.6872290000e+00 -1.0944810000e+00 -6.9635600000e-01 -1.5286720000e+00  2.0889700000e-01  3.9246800000e-01 -6.3073300000e-01  5.4022000000e-01  3.7971700000e-01 -1.8325120000e+00  3.7338100000e-01  1.2851370000e+00
+ENERGY -1.526582483678e+02
+FORCES  3.8954000000e-03 -5.1465000000e-03 -9.0410000000e-04 -4.2778000000e-03 -1.2688000000e-03 -1.3052000000e-03  5.7430000000e-04  4.2587000000e-03  1.0173000000e-03  5.8044000000e-03  8.8710000000e-04  1.2546000000e-03 -7.7505000000e-03  1.9258000000e-03  3.0360000000e-03  1.7543000000e-03 -6.5630000000e-04 -3.0987000000e-03
+
+JOB 40
+COORDS -6.3564800000e-01  5.0787100000e-01  1.3217080000e+00  2.7461800000e-01  6.4302000000e-01  1.5851140000e+00 -1.0945750000e+00  3.0866800000e-01  2.1377570000e+00  6.8015200000e-01 -4.8123200000e-01 -1.3800830000e+00 -9.9920000000e-03 -3.8873200000e-01 -7.2329100000e-01  2.6405000000e-01 -9.5480800000e-01 -2.1003720000e+00
+ENERGY -1.526603462820e+02
+FORCES  1.5956000000e-03  8.6520000000e-04  6.3600000000e-03 -4.9725000000e-03 -1.2269000000e-03 -1.0994000000e-03  2.4211000000e-03  1.2879000000e-03 -3.0720000000e-03 -5.8244000000e-03 -3.5650000000e-04  1.7434000000e-03  5.6606000000e-03 -2.1263000000e-03 -6.6747000000e-03  1.1196000000e-03  1.5567000000e-03  2.7427000000e-03
+
+JOB 41
+COORDS  3.3956800000e-01 -1.5428810000e+00  1.3250200000e-01  1.1857390000e+00 -1.9825800000e+00  2.1551400000e-01  2.6135100000e-01 -1.0202860000e+00  9.3063000000e-01 -4.4495900000e-01  1.5411330000e+00 -1.7307200000e-01  1.8322900000e-01  9.8640200000e-01  2.8940500000e-01  8.8493000000e-02  2.0511660000e+00 -7.8260100000e-01
+ENERGY -1.526519805149e+02
+FORCES  1.5470000000e-03 -1.9274000000e-03  3.8705000000e-03 -3.9058000000e-03  2.7262000000e-03 -8.1760000000e-04  1.9068000000e-03  1.6775000000e-03 -5.2175000000e-03  5.5383000000e-03 -2.8058000000e-03 -3.2755000000e-03 -2.7698000000e-03  1.7957000000e-03  2.8553000000e-03 -2.3165000000e-03 -1.4662000000e-03  2.5848000000e-03
+
+JOB 42
+COORDS -1.1494800000e+00  1.0561300000e+00  4.2135400000e-01 -1.7049340000e+00  9.2997900000e-01  1.1906320000e+00 -7.4237600000e-01  2.0199200000e-01  2.7662300000e-01  1.1852000000e+00 -1.0422540000e+00 -4.1103500000e-01  3.9654700000e-01 -1.1998120000e+00 -9.3010500000e-01  1.4685720000e+00 -1.6410900000e-01 -6.6557800000e-01
+ENERGY -1.526567033393e+02
+FORCES  9.9050000000e-04 -4.7471000000e-03  4.2570000000e-03  2.0860000000e-03  3.1790000000e-04 -3.1811000000e-03 -4.3485000000e-03  4.2150000000e-03 -3.0606000000e-03  1.9689000000e-03  2.6114000000e-03 -5.6260000000e-03  1.5296000000e-03  2.5898000000e-03  5.9385000000e-03 -2.2264000000e-03 -4.9869000000e-03  1.6723000000e-03
+
+JOB 43
+COORDS  1.2741730000e+00  9.7213900000e-01  6.7550000000e-03  4.4348000000e-01  1.1575110000e+00 -4.3121600000e-01  1.3936280000e+00  1.7025090000e+00  6.1381500000e-01 -1.2750290000e+00 -1.0297740000e+00 -7.1258000000e-02 -1.4025210000e+00 -6.3125800000e-01  7.8965000000e-01 -3.9722600000e-01 -1.4094800000e+00 -3.2327000000e-02
+ENERGY -1.526579915163e+02
+FORCES -3.3978000000e-03  3.9954000000e-03 -9.3010000000e-04  5.1483000000e-03  5.0280000000e-04  2.8880000000e-03 -1.2237000000e-03 -3.2549000000e-03 -2.1820000000e-03  5.1453000000e-03 -1.0720000000e-03  4.9539000000e-03 -4.7320000000e-04 -6.8350000000e-04 -3.7979000000e-03 -5.1988000000e-03  5.1230000000e-04 -9.3190000000e-04
+
+JOB 44
+COORDS -6.7445700000e-01 -9.5159300000e-01  1.1598040000e+00 -5.0413800000e-01 -3.3937100000e-01  4.4397700000e-01 -1.3411620000e+00 -1.5452310000e+00  8.1436300000e-01  7.3994300000e-01  8.9443100000e-01 -1.1217930000e+00  2.5509000000e-02  1.2734420000e+00 -1.6338140000e+00  7.8917000000e-01  1.4408060000e+00 -3.3739300000e-01
+ENERGY -1.526577091156e+02
+FORCES  4.2140000000e-04 -2.6500000000e-05 -6.9511000000e-03 -4.0629000000e-03 -1.3289000000e-03  7.2703000000e-03  2.1666000000e-03  2.3948000000e-03  1.2061000000e-03  1.3020000000e-03  6.6418000000e-03 -1.5618000000e-03  2.6026000000e-03 -2.9854000000e-03  3.5643000000e-03 -2.4298000000e-03 -4.6959000000e-03 -3.5277000000e-03
+
+JOB 45
+COORDS -1.1778020000e+00 -9.9117600000e-01 -5.6925400000e-01 -4.6580700000e-01 -1.3394050000e+00 -1.1059390000e+00 -1.3656660000e+00 -1.3229100000e-01 -9.4774500000e-01  1.1844070000e+00  9.0921300000e-01  6.4361500000e-01  3.5383600000e-01  8.6171500000e-01  1.7019500000e-01  1.3343310000e+00  1.8458630000e+00  7.7184200000e-01
+ENERGY -1.526541314667e+02
+FORCES  1.4478000000e-03 -1.3163000000e-03 -4.7329000000e-03 -3.9126000000e-03  2.3211000000e-03  2.3708000000e-03  3.5511000000e-03 -1.9953000000e-03  4.1163000000e-03 -3.8885000000e-03  1.6660000000e-03 -2.6900000000e-05  4.0859000000e-03  3.3822000000e-03 -8.4580000000e-04 -1.2836000000e-03 -4.0577000000e-03 -8.8160000000e-04
+
+JOB 46
+COORDS  6.6859700000e-01 -8.6277400000e-01 -1.2444720000e+00  1.2534490000e+00 -9.9765600000e-01 -4.9882600000e-01 -1.4392000000e-01 -1.3029410000e+00 -9.9486800000e-01 -6.9140300000e-01  9.4144500000e-01  1.1704770000e+00 -1.7757900000e-01  3.2383100000e-01  6.5012200000e-01 -5.4352300000e-01  6.7252500000e-01  2.0771440000e+00
+ENERGY -1.526546376623e+02
+FORCES  1.9780000000e-04 -5.1975000000e-03  2.9300000000e-05 -5.2553000000e-03  2.9675000000e-03 -1.7558000000e-03  4.6840000000e-03  3.9676000000e-03  6.9040000000e-04  3.1551000000e-03 -2.2373000000e-03 -6.5720000000e-04 -2.6890000000e-03  1.5530000000e-04  6.0527000000e-03 -9.2600000000e-05  3.4440000000e-04 -4.3595000000e-03
+
+JOB 47
+COORDS  3.8782000000e-02  6.1308500000e-01 -1.5870700000e+00 -1.4140100000e-01  1.5450000000e-02 -8.6139900000e-01 -1.6704500000e-01  1.0597000000e-01 -2.3723730000e+00 -1.4710000000e-03 -5.8426900000e-01  1.5392690000e+00  3.4792600000e-01  2.3502000000e-01  1.8898680000e+00 -6.7038700000e-01 -8.4950200000e-01  2.1704860000e+00
+ENERGY -1.526597924995e+02
+FORCES -1.3214000000e-03 -5.3266000000e-03  1.9725000000e-03  6.2450000000e-04  4.2433000000e-03 -7.5623000000e-03  5.2910000000e-04  1.6625000000e-03  2.9086000000e-03 -8.8120000000e-04  2.2159000000e-03  6.5176000000e-03 -2.0694000000e-03 -4.0763000000e-03 -1.3919000000e-03  3.1185000000e-03  1.2813000000e-03 -2.4445000000e-03
+
+JOB 48
+COORDS -2.9642600000e-01 -1.7063430000e+00 -2.8523000000e-01 -3.4559900000e-01 -1.4475880000e+00  6.3502000000e-01 -8.8718200000e-01 -1.1030260000e+00 -7.3606000000e-01  3.7015200000e-01  1.7015110000e+00  2.2726200000e-01  6.2312700000e-01  1.1215060000e+00  9.4547500000e-01 -5.4159700000e-01  1.4741280000e+00  4.4934000000e-02
+ENERGY -1.526517141931e+02
+FORCES -2.0515000000e-03  3.4842000000e-03  7.9840000000e-04  5.1160000000e-04  2.1320000000e-04 -3.5765000000e-03  1.7943000000e-03 -1.9986000000e-03  2.8099000000e-03 -1.4321000000e-03 -3.7535000000e-03  1.7954000000e-03 -2.1115000000e-03  2.2844000000e-03 -2.3572000000e-03  3.2892000000e-03 -2.2970000000e-04  5.3000000000e-04
+
+JOB 49
+COORDS  6.8254200000e-01 -1.1670480000e+00  1.0827520000e+00  6.7720000000e-01 -9.3212600000e-01  2.0106600000e+00  7.2148600000e-01 -2.1234420000e+00  1.0775470000e+00 -6.4103600000e-01  1.2415570000e+00 -1.1641730000e+00 -1.5490740000e+00  1.4790140000e+00 -9.7625900000e-01 -5.2686600000e-01  3.8497400000e-01 -7.5251400000e-01
+ENERGY -1.526580014973e+02
+FORCES  1.8640000000e-03 -3.3249000000e-03  5.3423000000e-03 -1.6360000000e-04 -1.6545000000e-03 -3.8995000000e-03 -4.1850000000e-04  4.2583000000e-03  1.4820000000e-04 -1.6579000000e-03 -3.9265000000e-03  3.6101000000e-03  3.2687000000e-03 -7.6040000000e-04 -6.0230000000e-04 -2.8927000000e-03  5.4081000000e-03 -4.5988000000e-03
+
+JOB 50
+COORDS -8.9673700000e-01 -1.0672600000e+00  1.1730390000e+00 -7.2260700000e-01 -1.2541740000e+00  2.0955210000e+00 -9.2262600000e-01 -1.1174500000e-01  1.1225140000e+00  9.0392300000e-01  1.0250730000e+00 -1.1652600000e+00  1.4568010000e+00  9.0510300000e-01 -1.9373770000e+00  1.8139000000e-02  1.1167950000e+00 -1.5162670000e+00
+ENERGY -1.526544458000e+02
+FORCES  2.5048000000e-03  3.8637000000e-03  3.1341000000e-03 -8.5130000000e-04  5.2900000000e-04 -3.5520000000e-03 -2.0735000000e-03 -3.9506000000e-03  4.1390000000e-04 -7.0330000000e-04 -1.6249000000e-03 -5.3868000000e-03 -2.2109000000e-03  8.8820000000e-04  2.9697000000e-03  3.3342000000e-03  2.9460000000e-04  2.4211000000e-03
+
+JOB 51
+COORDS  4.4499600000e-01 -1.7804300000e+00 -2.4371300000e-01  6.0865900000e-01 -2.4890310000e+00  3.7864600000e-01  3.7550000000e-01 -9.9529400000e-01  2.9939200000e-01 -4.2809100000e-01  1.8232780000e+00  1.3002800000e-01 -1.3166960000e+00  1.7260560000e+00  4.7231400000e-01  7.8632000000e-02  1.1492440000e+00  5.8295400000e-01
+ENERGY -1.526510075713e+02
+FORCES  5.2230000000e-04 -3.4830000000e-04  4.2356000000e-03 -9.0110000000e-04  3.3374000000e-03 -2.8612000000e-03  4.3050000000e-04 -9.8980000000e-04 -7.3060000000e-04 -2.2945000000e-03 -1.9379000000e-03  2.8151000000e-03  4.3393000000e-03  3.9450000000e-04 -1.2876000000e-03 -2.0965000000e-03 -4.5590000000e-04 -2.1712000000e-03
+
+JOB 52
+COORDS -1.0262020000e+00  1.2203660000e+00  9.7960400000e-01 -8.5610700000e-01  7.0380200000e-01  1.9191100000e-01 -8.4367200000e-01  2.1230470000e+00  7.1867800000e-01  1.0333120000e+00 -1.1975640000e+00 -8.8425500000e-01  7.3424400000e-01 -1.0642480000e+00 -1.7837090000e+00  8.9684200000e-01 -2.1309590000e+00 -7.2183100000e-01
+ENERGY -1.526559778460e+02
+FORCES  3.3906000000e-03  1.0110000000e-04 -4.3851000000e-03 -3.6429000000e-03  4.0940000000e-03  2.8994000000e-03 -9.5740000000e-04 -3.3166000000e-03  8.6940000000e-04  3.2330000000e-04 -5.4941000000e-03 -2.8241000000e-03  2.9110000000e-04  4.6580000000e-04  4.6383000000e-03  5.9530000000e-04  4.1499000000e-03 -1.1979000000e-03
+
+JOB 53
+COORDS -1.5580580000e+00 -1.0296120000e+00  3.8966800000e-01 -1.4650640000e+00 -1.5462390000e+00 -4.1075600000e-01 -6.6282400000e-01 -9.2108000000e-01  7.1061900000e-01  1.5052400000e+00  9.9534000000e-01 -3.3099500000e-01  1.0149570000e+00  1.1437270000e+00 -1.1395960000e+00  1.8324530000e+00  1.8609950000e+00 -8.6448000000e-02
+ENERGY -1.526567805782e+02
+FORCES  5.3586000000e-03 -1.1987000000e-03 -1.2062000000e-03 -6.5000000000e-04  2.2626000000e-03  2.6694000000e-03 -5.4906000000e-03 -1.9862000000e-03 -9.7240000000e-04 -4.9030000000e-04  5.5249000000e-03 -2.4408000000e-03  2.5089000000e-03 -1.0679000000e-03  3.2392000000e-03 -1.2366000000e-03 -3.5347000000e-03 -1.2892000000e-03
+
+JOB 54
+COORDS -9.0486200000e-01  1.6143450000e+00 -8.5556000000e-02 -1.3401740000e+00  1.9592730000e+00  6.9403400000e-01 -1.5832410000e+00  1.1118280000e+00 -5.3667700000e-01  1.0165970000e+00 -1.6118880000e+00  1.1021800000e-01  3.3364000000e-01 -2.2303680000e+00 -1.4917200000e-01  8.6541400000e-01 -8.4298400000e-01 -4.3947600000e-01
+ENERGY -1.526554200823e+02
+FORCES -5.1237000000e-03  5.2250000000e-04  3.0311000000e-03  1.3173000000e-03 -1.1198000000e-03 -3.7060000000e-03  3.6640000000e-03  1.2477000000e-03  1.4970000000e-03 -3.3047000000e-03  2.4525000000e-03 -2.8841000000e-03  2.3341000000e-03  2.4357000000e-03  9.7920000000e-04  1.1129000000e-03 -5.5386000000e-03  1.0828000000e-03
+
+JOB 55
+COORDS -1.8402120000e+00 -3.1729600000e-01  3.0714300000e-01 -2.3661750000e+00 -1.6249600000e-01 -4.7747900000e-01 -1.5607470000e+00  5.5511100000e-01  5.8469900000e-01  1.8953220000e+00  2.0055900000e-01 -2.8318100000e-01  2.0246210000e+00  1.0705160000e+00 -6.6092100000e-01  1.0706530000e+00  2.6803400000e-01  1.9806800000e-01
+ENERGY -1.526540267719e+02
+FORCES -3.3357000000e-03  3.4859000000e-03 -2.8257000000e-03  2.1003000000e-03 -4.2330000000e-04  3.7560000000e-03  1.2515000000e-03 -4.1351000000e-03 -1.5207000000e-03 -3.4361000000e-03  2.3675000000e-03  3.8010000000e-04 -9.4450000000e-04 -3.4188000000e-03  1.6069000000e-03  4.3646000000e-03  2.1238000000e-03 -1.3966000000e-03
+
+JOB 56
+COORDS  1.8201930000e+00 -4.2525000000e-01  1.1963200000e-01  2.5530130000e+00 -2.8504100000e-01  7.1925700000e-01  2.1775130000e+00 -2.2820000000e-01 -7.4623500000e-01 -1.9328820000e+00  3.5987200000e-01 -9.6599000000e-02 -1.0320470000e+00  3.0562700000e-01  2.2244000000e-01 -1.9765110000e+00  1.2015760000e+00 -5.5031900000e-01
+ENERGY -1.526572415440e+02
+FORCES  6.1984000000e-03  1.8390000000e-04 -1.1881000000e-03 -3.0438000000e-03 -4.7810000000e-04 -2.8212000000e-03 -1.5707000000e-03 -3.8630000000e-04  3.9411000000e-03  4.9212000000e-03  2.2956000000e-03 -3.5500000000e-05 -6.5523000000e-03  1.4692000000e-03 -1.3917000000e-03  4.7200000000e-05 -3.0842000000e-03  1.4955000000e-03
+
+JOB 57
+COORDS  7.7126100000e-01 -1.7475940000e+00 -6.9147100000e-01  1.7189830000e+00 -1.7881690000e+00 -8.1957000000e-01  6.4818100000e-01 -1.0746830000e+00 -2.1938000000e-02 -7.6771400000e-01  1.6784600000e+00  6.8215600000e-01 -7.7437600000e-01  2.3979790000e+00  5.0904000000e-02 -1.6878420000e+00  1.5554070000e+00  9.1551200000e-01
+ENERGY -1.526568232900e+02
+FORCES  2.7252000000e-03  3.7809000000e-03  2.7035000000e-03 -3.5390000000e-03  6.5000000000e-05  3.3160000000e-04  1.5115000000e-03 -5.0665000000e-03 -3.0489000000e-03 -4.6114000000e-03  3.3721000000e-03 -2.0031000000e-03 -4.9000000000e-05 -2.7797000000e-03  2.9010000000e-03  3.9626000000e-03  6.2820000000e-04 -8.8420000000e-04
+
+JOB 58
+COORDS -9.8350000000e-03 -2.5567000000e-01  1.9834760000e+00 -6.6595000000e-02 -3.3667200000e-01  2.9355520000e+00 -9.0014600000e-01 -4.2390300000e-01  1.6748060000e+00  6.3020000000e-02  2.0300900000e-01 -2.0163830000e+00  6.0443200000e-01  8.0809000000e-01 -2.5233170000e+00 -5.3817000000e-01  7.6797000000e-01 -1.5309730000e+00
+ENERGY -1.526536453123e+02
+FORCES -3.6575000000e-03 -1.9735000000e-03  2.5591000000e-03  3.3830000000e-04  3.8760000000e-04 -4.0023000000e-03  3.3787000000e-03  1.5922000000e-03  1.2801000000e-03  8.0080000000e-04  5.0734000000e-03  8.1610000000e-04 -2.3325000000e-03 -2.4652000000e-03  1.6825000000e-03  1.4722000000e-03 -2.6145000000e-03 -2.3355000000e-03
+
+JOB 59
+COORDS  2.4198800000e-01  1.8687750000e+00 -7.4070200000e-01 -6.7759600000e-01  2.0732980000e+00 -9.1031600000e-01  6.3741500000e-01  1.8026950000e+00 -1.6098990000e+00 -1.6705600000e-01 -1.8932010000e+00  8.1037600000e-01 -4.2882200000e-01 -1.3134660000e+00  9.5101000000e-02 -9.8673100000e-01 -2.1136510000e+00  1.2528310000e+00
+ENERGY -1.526545875923e+02
+FORCES -1.1331000000e-03  2.4563000000e-03 -4.3267000000e-03  3.7561000000e-03 -1.8505000000e-03  8.4860000000e-04 -2.0773000000e-03 -9.7300000000e-05  3.7907000000e-03 -3.7203000000e-03  2.8768000000e-03 -1.0469000000e-03  4.6800000000e-05 -4.2109000000e-03  2.5602000000e-03  3.1279000000e-03  8.2570000000e-04 -1.8260000000e-03
+
+JOB 60
+COORDS -1.7930200000e-01  5.1215000000e-01  1.9711650000e+00  1.9632600000e-01 -8.4787000000e-02  2.6183130000e+00  2.7619500000e-01  1.3413550000e+00  2.1166790000e+00  1.2783700000e-01 -5.0803000000e-01 -1.9546950000e+00 -5.9812200000e-01 -7.9971600000e-01 -2.5061790000e+00  8.9087300000e-01 -5.2748700000e-01 -2.5323020000e+00
+ENERGY -1.526526703964e+02
+FORCES  3.7924000000e-03  7.2580000000e-04  2.2187000000e-03 -1.6481000000e-03  2.4474000000e-03 -2.3970000000e-03 -1.9282000000e-03 -3.2353000000e-03 -2.4120000000e-04 -3.2230000000e-04 -1.2709000000e-03 -4.2818000000e-03  3.1102000000e-03  1.1584000000e-03  2.1383000000e-03 -3.0040000000e-03  1.7460000000e-04  2.5630000000e-03
+
+JOB 61
+COORDS -3.3632500000e-01  4.0294100000e-01  2.0308680000e+00 -2.6136000000e-01  1.2082330000e+00  1.5188930000e+00 -1.2415940000e+00  3.9966600000e-01  2.3418490000e+00  3.4579100000e-01 -4.1102200000e-01 -2.0617260000e+00  1.0112540000e+00 -1.0712430000e+00 -2.2553740000e+00  3.0461200000e-01 -3.8498000000e-01 -1.1057670000e+00
+ENERGY -1.526561654845e+02
+FORCES -4.1310000000e-03  4.0305000000e-03  1.0013000000e-03 -7.0500000000e-05 -4.3857000000e-03  1.4202000000e-03  3.9580000000e-03  1.0660000000e-04 -1.2918000000e-03  2.5527000000e-03 -3.2728000000e-03  3.6915000000e-03 -2.6109000000e-03  2.6393000000e-03  5.0970000000e-04  3.0170000000e-04  8.8220000000e-04 -5.3309000000e-03
+
+JOB 62
+COORDS -4.3084000000e-01 -2.0924710000e+00 -2.8198000000e-02  4.2038600000e-01 -2.3687810000e+00 -3.6775500000e-01 -7.2654300000e-01 -1.4191270000e+00 -6.4089700000e-01  4.0588000000e-01  2.0979400000e+00  3.3222000000e-02  1.0823220000e+00  1.7332560000e+00  6.0389100000e-01 -4.1738800000e-01  1.8978210000e+00  4.7865900000e-01
+ENERGY -1.526555740722e+02
+FORCES  2.3792000000e-03  1.4410000000e-03 -4.7521000000e-03 -3.3886000000e-03  9.9050000000e-04  1.6719000000e-03  7.6710000000e-04 -3.0604000000e-03  3.1381000000e-03 -4.3770000000e-04 -1.8908000000e-03  5.2084000000e-03 -2.5462000000e-03  1.7013000000e-03 -2.7358000000e-03  3.2261000000e-03  8.1840000000e-04 -2.5306000000e-03
+
+JOB 63
+COORDS -7.0681600000e-01 -1.8556090000e+00  8.6883500000e-01 -4.2499400000e-01 -2.0075660000e+00 -3.3227000000e-02 -4.0771300000e-01 -9.6830200000e-01  1.0674660000e+00  6.5598300000e-01  1.8778530000e+00 -8.4473500000e-01  5.7758900000e-01  1.1100930000e+00 -1.4109780000e+00  1.1189880000e+00  1.5585420000e+00 -7.0203000000e-02
+ENERGY -1.526530875370e+02
+FORCES  1.3964000000e-03  2.8838000000e-03 -2.6054000000e-03 -7.1890000000e-04  1.1095000000e-03  3.6708000000e-03 -2.2360000000e-04 -3.9522000000e-03 -1.0961000000e-03  2.3855000000e-03 -3.1829000000e-03 -4.7900000000e-05  8.4400000000e-05  2.6695000000e-03  3.1669000000e-03 -2.9237000000e-03  4.7220000000e-04 -3.0883000000e-03
+
+JOB 64
+COORDS -1.3197400000e+00  1.3420180000e+00 -9.7576800000e-01 -5.4639500000e-01  1.4273680000e+00 -4.1819800000e-01 -1.9642500000e+00  1.9314250000e+00 -5.8405700000e-01  1.3728600000e+00 -1.4201670000e+00  9.3756800000e-01  1.3574220000e+00 -5.0296900000e-01  6.6417700000e-01  4.5206400000e-01 -1.6477480000e+00  1.0663020000e+00
+ENERGY -1.526533217996e+02
+FORCES -1.5220000000e-04  3.9594000000e-03  3.2622000000e-03 -2.5490000000e-03 -1.7136000000e-03 -1.7212000000e-03  2.8402000000e-03 -2.7100000000e-03 -1.6657000000e-03 -4.1467000000e-03  1.9866000000e-03 -1.2364000000e-03 -2.5100000000e-04 -2.6863000000e-03  1.3443000000e-03  4.2588000000e-03  1.1639000000e-03  1.6700000000e-05
+
+JOB 65
+COORDS -1.3513090000e+00 -2.6147700000e-01  1.6319830000e+00 -1.4503890000e+00 -1.1659100000e-01  6.9101400000e-01 -2.1063870000e+00 -7.9814100000e-01  1.8729830000e+00  1.3935900000e+00  3.4659800000e-01 -1.5963820000e+00  1.1912830000e+00 -1.8562600000e-01 -8.2694000000e-01  1.7598820000e+00 -2.7310900000e-01 -2.2272750000e+00
+ENERGY -1.526551033229e+02
+FORCES -4.6518000000e-03 -8.9150000000e-04 -2.3978000000e-03  1.3978000000e-03 -1.5721000000e-03  4.1929000000e-03  3.1745000000e-03  2.2033000000e-03 -1.0390000000e-03  1.9066000000e-03 -4.6553000000e-03  9.2990000000e-04 -1.8600000000e-04  2.3646000000e-03 -4.2383000000e-03 -1.6411000000e-03  2.5511000000e-03  2.5522000000e-03
+
+JOB 66
+COORDS  1.6414490000e+00  1.4380520000e+00  7.8847000000e-02  1.4024430000e+00  1.0369260000e+00 -7.5674000000e-01  8.8920900000e-01  1.9843730000e+00  3.0666600000e-01 -1.5797220000e+00 -1.5011330000e+00 -7.5504000000e-02 -1.8322310000e+00 -6.1956800000e-01 -3.4993700000e-01 -1.3395950000e+00 -1.4060050000e+00  8.4619100000e-01
+ENERGY -1.526541293106e+02
+FORCES -3.2766000000e-03  4.7770000000e-04 -3.0491000000e-03  7.4620000000e-04  2.2949000000e-03  3.6929000000e-03  2.6073000000e-03 -2.6637000000e-03 -7.5680000000e-04 -5.7900000000e-05  3.4560000000e-03  3.3939000000e-03  1.5020000000e-03 -3.2088000000e-03  7.4300000000e-04 -1.5210000000e-03 -3.5610000000e-04 -4.0239000000e-03
+
+JOB 67
+COORDS -4.5518400000e-01 -1.9770330000e+00  6.8030700000e-01 -7.3394400000e-01 -2.7518220000e+00  1.1683920000e+00 -1.0785650000e+00 -1.2964130000e+00  9.3404800000e-01  5.0199100000e-01  2.0358820000e+00 -7.6089000000e-01  1.2627010000e+00  1.4628330000e+00 -6.6514400000e-01 -1.5704500000e-01  1.6593320000e+00 -1.7769700000e-01
+ENERGY -1.526543522779e+02
+FORCES -4.1707000000e-03 -1.7021000000e-03  3.1557000000e-03  1.1237000000e-03  3.3267000000e-03 -2.0471000000e-03  3.2286000000e-03 -1.7676000000e-03 -1.2449000000e-03  9.2480000000e-04 -4.7140000000e-03  2.5025000000e-03 -2.9852000000e-03  3.1634000000e-03 -4.2090000000e-04  1.8788000000e-03  1.6936000000e-03 -1.9452000000e-03
+
+JOB 68
+COORDS  1.7285880000e+00  4.7029700000e-01 -1.2583830000e+00  2.4492180000e+00  7.0861100000e-01 -6.7517600000e-01  2.0587460000e+00  6.5815300000e-01 -2.1369830000e+00 -1.8088150000e+00 -4.4997800000e-01  1.2352180000e+00 -2.1459260000e+00 -7.2391800000e-01  2.0881810000e+00 -1.0600960000e+00 -1.0250100000e+00  1.0771350000e+00
+ENERGY -1.526542836707e+02
+FORCES  4.0734000000e-03  2.4697000000e-03 -1.5726000000e-03 -2.9122000000e-03 -1.3414000000e-03 -2.3120000000e-03 -1.1769000000e-03 -8.2290000000e-04  3.6630000000e-03  2.3421000000e-03 -3.3581000000e-03  1.9564000000e-03  1.3756000000e-03  1.2027000000e-03 -3.3824000000e-03 -3.7021000000e-03  1.8499000000e-03  1.6476000000e-03
+
+JOB 69
+COORDS -6.1252500000e-01 -1.8673080000e+00 -1.0861890000e+00 -1.0801450000e+00 -2.6933450000e+00 -1.2095810000e+00  7.9022000000e-02 -2.0745860000e+00 -4.5767400000e-01  6.2455300000e-01  1.8725090000e+00  1.0183270000e+00 -7.2895000000e-02  1.7909340000e+00  1.6688230000e+00  8.8399600000e-01  2.7929890000e+00  1.0587900000e+00
+ENERGY -1.526539278278e+02
+FORCES  1.6071000000e-03 -3.6744000000e-03  2.1715000000e-03  1.7752000000e-03  3.4569000000e-03  5.1860000000e-04 -3.2157000000e-03  8.9800000000e-05 -2.6168000000e-03 -2.3379000000e-03  3.5445000000e-03  2.2747000000e-03  3.1740000000e-03  3.3700000000e-04 -2.2833000000e-03 -1.0028000000e-03 -3.7538000000e-03 -6.4800000000e-05
+
+JOB 70
+COORDS  3.2295100000e-01  1.1108620000e+00  2.0394520000e+00 -6.0725300000e-01  1.2256840000e+00  2.2337930000e+00  4.2994800000e-01  1.6625200000e-01  1.9276680000e+00 -2.7222600000e-01 -1.1159070000e+00 -1.9952320000e+00  8.4034000000e-02 -1.1811600000e+00 -2.8812640000e+00 -6.9926200000e-01 -2.5959400000e-01 -1.9707370000e+00
+ENERGY -1.526550409807e+02
+FORCES -3.0002000000e-03 -4.0058000000e-03  3.7330000000e-04  3.6563000000e-03 -2.3390000000e-04 -1.0020000000e-03 -5.5700000000e-04  4.3155000000e-03  1.0287000000e-03  7.7600000000e-05  3.5494000000e-03 -3.8312000000e-03 -1.5595000000e-03  2.3030000000e-04  3.5408000000e-03  1.3827000000e-03 -3.8555000000e-03 -1.0950000000e-04
+
+JOB 71
+COORDS -3.9919500000e-01  1.3682620000e+00 -1.9706540000e+00 -6.2410000000e-03  5.1571200000e-01 -1.7836320000e+00 -1.1340290000e+00  1.4328230000e+00 -1.3606680000e+00  3.6928800000e-01 -1.3495680000e+00  1.9557720000e+00  1.2189110000e+00 -1.0561100000e+00  2.2847950000e+00  4.0146700000e-01 -1.1716360000e+00  1.0158060000e+00
+ENERGY -1.526533957528e+02
+FORCES -2.0757000000e-03 -2.7939000000e-03  2.7531000000e-03 -1.2289000000e-03  3.2271000000e-03  7.7400000000e-05  3.4760000000e-03 -4.9200000000e-04 -2.6203000000e-03  4.1917000000e-03  1.7689000000e-03 -1.8585000000e-03 -3.6873000000e-03 -1.3260000000e-03 -1.4775000000e-03 -6.7590000000e-04 -3.8410000000e-04  3.1257000000e-03
+
+JOB 72
+COORDS  2.0637900000e-01  2.3170220000e+00  1.1585600000e-01 -7.2306400000e-01  2.5277880000e+00  2.0500000000e-01  6.6087600000e-01  3.0839620000e+00  4.6437900000e-01 -2.0473300000e-01 -2.3394400000e+00 -8.2272000000e-02  1.6771300000e-01 -1.8697680000e+00 -8.2854600000e-01 -1.6401000000e-01 -3.2618660000e+00 -3.3466600000e-01
+ENERGY -1.526544279150e+02
+FORCES -2.1388000000e-03  3.7844000000e-03  2.3842000000e-03  3.8902000000e-03 -5.5920000000e-04 -6.2570000000e-04 -1.8476000000e-03 -3.0419000000e-03 -1.5236000000e-03  2.0738000000e-03 -1.0539000000e-03 -4.0725000000e-03 -1.7707000000e-03 -2.8144000000e-03  2.7601000000e-03 -2.0700000000e-04  3.6851000000e-03  1.0775000000e-03
+
+JOB 73
+COORDS -5.7891600000e-01 -4.2254600000e-01 -2.2505500000e+00 -4.0837500000e-01 -1.3227630000e+00 -2.5276010000e+00 -3.8785100000e-01  1.0706700000e-01 -3.0246540000e+00  5.4533900000e-01  4.9645200000e-01  2.3423810000e+00  1.2124760000e+00 -1.6544900000e-01  2.5241690000e+00  1.0084200000e-01  1.7954700000e-01  1.5561080000e+00
+ENERGY -1.526553854128e+02
+FORCES  1.2549000000e-03 -1.1470000000e-03 -5.1173000000e-03 -5.7200000000e-04  3.7026000000e-03  1.4348000000e-03 -7.9060000000e-04 -2.4301000000e-03  3.1016000000e-03  5.6860000000e-04 -3.8286000000e-03 -3.3048000000e-03 -2.5242000000e-03  2.5475000000e-03 -5.2080000000e-04  2.0634000000e-03  1.1555000000e-03  4.4066000000e-03
+
+JOB 74
+COORDS  3.9390400000e-01  1.5006500000e+00 -1.9367400000e+00  1.3110060000e+00  1.5784860000e+00 -2.1996050000e+00 -8.1384000000e-02  2.0528430000e+00 -2.5575600000e+00 -3.7733700000e-01 -1.4758420000e+00  2.0086270000e+00 -5.2461500000e-01 -2.2489640000e+00  2.5534420000e+00 -8.5338400000e-01 -1.6588420000e+00  1.1986130000e+00
+ENERGY -1.526541148735e+02
+FORCES  2.1578000000e-03  2.8219000000e-03 -3.2609000000e-03 -3.8462000000e-03 -3.0080000000e-04  8.1540000000e-04  1.8660000000e-03 -2.3731000000e-03  2.4997000000e-03 -2.5587000000e-03 -3.4144000000e-03 -1.7227000000e-03  6.5000000000e-04  3.1300000000e-03 -2.1403000000e-03  1.7311000000e-03  1.3650000000e-04  3.8087000000e-03
+
+JOB 75
+COORDS -1.0264840000e+00  2.1561480000e+00 -9.0574100000e-01 -4.7922200000e-01  1.4844630000e+00 -1.3126510000e+00 -7.1118500000e-01  2.9800670000e+00 -1.2771910000e+00  9.2990100000e-01 -2.1308000000e+00  9.2320200000e-01  1.7534950000e+00 -2.2998870000e+00  4.6567000000e-01  1.0375190000e+00 -2.5535370000e+00  1.7752260000e+00
+ENERGY -1.526540557261e+02
+FORCES  3.6241000000e-03 -8.6200000000e-05 -2.8088000000e-03 -2.2248000000e-03  3.3555000000e-03  1.0703000000e-03 -1.2647000000e-03 -3.2676000000e-03  1.5079000000e-03  3.5837000000e-03 -2.5107000000e-03  2.2087000000e-03 -3.4295000000e-03  9.1930000000e-04  1.6095000000e-03 -2.8870000000e-04  1.5896000000e-03 -3.5876000000e-03
+
+JOB 76
+COORDS  5.0501100000e-01  1.2085200000e+00 -2.3329780000e+00  8.6632700000e-01  1.0219200000e+00 -1.4664550000e+00 -2.9602900000e-01  1.7023350000e+00 -2.1577280000e+00 -4.7165800000e-01 -1.1883790000e+00  2.3267020000e+00 -1.1855970000e+00 -1.7913990000e+00  2.1196030000e+00  1.1182500000e-01 -1.2382070000e+00  1.5695380000e+00
+ENERGY -1.526541560604e+02
+FORCES -1.7919000000e-03  1.9789000000e-03  4.1689000000e-03 -1.5042000000e-03  6.5700000000e-05 -3.4821000000e-03  3.3145000000e-03 -2.2240000000e-03 -8.2280000000e-04 -6.5990000000e-04 -3.3933000000e-03 -3.6225000000e-03  2.9639000000e-03  2.6395000000e-03  8.6710000000e-04 -2.3224000000e-03  9.3320000000e-04  2.8915000000e-03
+
+JOB 77
+COORDS  2.3959390000e+00 -1.2897110000e+00  4.4139200000e-01  1.4731040000e+00 -1.2975590000e+00  1.8733300000e-01  2.8521660000e+00 -9.3680200000e-01 -3.2250900000e-01 -2.3693690000e+00  1.2319000000e+00 -4.4117800000e-01 -3.1220440000e+00  1.7202800000e+00 -1.0771700000e-01 -1.6598920000e+00  1.4398390000e+00  1.6679800000e-01
+ENERGY -1.526546133662e+02
+FORCES -1.8956000000e-03  9.4720000000e-04 -4.5000000000e-03  3.9212000000e-03  3.9530000000e-04  1.4067000000e-03 -1.8076000000e-03 -1.3175000000e-03  3.2445000000e-03 -6.6170000000e-04  3.2044000000e-03  3.9786000000e-03  3.1217000000e-03 -1.9744000000e-03 -1.3796000000e-03 -2.6780000000e-03 -1.2551000000e-03 -2.7502000000e-03
+
+JOB 78
+COORDS -1.2886860000e+00 -6.0039000000e-02 -2.4620000000e+00 -1.7394320000e+00 -4.3266700000e-01 -3.2197660000e+00 -1.3065390000e+00 -7.5659400000e-01 -1.8057040000e+00  1.3259760000e+00  7.2380000000e-02  2.4495330000e+00  1.8602090000e+00  4.8735500000e-01  3.1267500000e+00  6.9209200000e-01  7.4430100000e-01  2.1986460000e+00
+ENERGY -1.526545160085e+02
+FORCES -1.6404000000e-03 -4.6182000000e-03 -4.4830000000e-04  1.7826000000e-03  1.5407000000e-03  3.0567000000e-03 -2.2170000000e-04  3.0632000000e-03 -2.7355000000e-03 -2.2140000000e-04  4.7056000000e-03  1.5676000000e-03 -2.1859000000e-03 -1.7099000000e-03 -2.6763000000e-03  2.4869000000e-03 -2.9815000000e-03  1.2358000000e-03
+
+JOB 79
+COORDS  1.5659150000e+00 -6.7499700000e-01 -2.2204020000e+00  1.7000530000e+00  6.5301000000e-02 -2.8121780000e+00  2.2967520000e+00 -6.2519400000e-01 -1.6042620000e+00 -1.6568650000e+00  6.0517200000e-01  2.2561740000e+00 -1.5401620000e+00  5.0858200000e-01  1.3110380000e+00 -9.6010200000e-01  1.2043450000e+00  2.5240260000e+00
+ENERGY -1.526544474655e+02
+FORCES  3.9896000000e-03  2.7919000000e-03 -3.9980000000e-04 -6.9020000000e-04 -2.9494000000e-03  2.6605000000e-03 -3.2376000000e-03  3.1700000000e-05 -2.3954000000e-03  3.2670000000e-03  1.7530000000e-03 -3.0871000000e-03 -5.9660000000e-04  7.2220000000e-04  4.2207000000e-03 -2.7322000000e-03 -2.3494000000e-03 -9.9900000000e-04
+
+JOB 80
+COORDS -2.7136040000e+00 -8.4575800000e-01  6.4445000000e-02 -3.5655810000e+00 -1.2803880000e+00  2.6182000000e-02 -2.7676210000e+00 -1.5335100000e-01 -5.9425600000e-01  2.7435570000e+00  8.7854600000e-01 -5.8742000000e-02  3.4738080000e+00  3.0246300000e-01 -2.8478000000e-01  2.4368710000e+00  5.5603000000e-01  7.8870100000e-01
+ENERGY -1.526544641806e+02
+FORCES -3.5712000000e-03  1.2328000000e-03 -3.0512000000e-03  3.4633000000e-03  1.7272000000e-03  1.8530000000e-04 -3.4200000000e-05 -2.9336000000e-03  2.7761000000e-03  1.3819000000e-03 -3.9324000000e-03  2.6485000000e-03 -2.8399000000e-03  2.4022000000e-03  8.7120000000e-04  1.6001000000e-03  1.5038000000e-03 -3.4299000000e-03
+
+JOB 81
+COORDS -2.1381900000e-01  3.0974170000e+00 -4.5595200000e-01 -7.3109300000e-01  3.3806620000e+00  2.9799200000e-01  3.8286700000e-01  2.4372670000e+00 -1.0324900000e-01  2.4709200000e-01 -3.1232870000e+00  3.5200200000e-01  5.5336100000e-01 -2.5980540000e+00  1.0913000000e+00 -6.5959700000e-01 -2.8462610000e+00  2.2008200000e-01
+ENERGY -1.526538264407e+02
+FORCES  5.1980000000e-04 -1.2845000000e-03  4.3528000000e-03  2.0928000000e-03 -1.3411000000e-03 -3.0654000000e-03 -2.6328000000e-03  2.5842000000e-03 -1.2679000000e-03 -2.5929000000e-03  2.9847000000e-03  2.3543000000e-03 -1.2125000000e-03 -1.8927000000e-03 -3.0568000000e-03  3.8256000000e-03 -1.0505000000e-03  6.8310000000e-04
+
+JOB 82
+COORDS  2.0674900000e+00  2.9150070000e+00 -7.9752200000e-01  2.0369450000e+00  3.1251910000e+00  1.3581700000e-01  2.6451650000e+00  3.5787990000e+00 -1.1742230000e+00 -2.1616470000e+00 -2.9686000000e+00  7.4478700000e-01 -1.6626080000e+00 -2.1614130000e+00  8.6984500000e-01 -1.5315920000e+00 -3.6689780000e+00  9.1429500000e-01
+ENERGY -1.526542082110e+02
+FORCES  2.2661000000e-03  3.7590000000e-03  2.1175000000e-03  8.5400000000e-05 -1.0115000000e-03 -3.7609000000e-03 -2.3458000000e-03 -2.7286000000e-03  1.5861000000e-03  4.7060000000e-03  5.6590000000e-04  9.7630000000e-04 -2.1131000000e-03 -3.3726000000e-03 -3.0740000000e-04 -2.5985000000e-03  2.7878000000e-03 -6.1160000000e-04
+
+JOB 83
+COORDS -9.7398200000e-01 -3.5638800000e+00 -1.0600020000e+00 -5.3232600000e-01 -4.3900950000e+00 -8.6368500000e-01 -4.4153700000e-01 -3.1647120000e+00 -1.7480430000e+00  8.6134100000e-01  3.6305530000e+00  1.0948660000e+00  1.0574470000e+00  3.1028840000e+00  3.2069600000e-01  1.6099770000e+00  3.4927020000e+00  1.6751870000e+00
+ENERGY -1.526539337149e+02
+FORCES  3.8489000000e-03 -1.8446000000e-03 -2.0255000000e-03 -1.7653000000e-03  3.4191000000e-03 -8.0120000000e-04 -2.0985000000e-03 -1.5453000000e-03  2.8526000000e-03  3.7254000000e-03 -2.8339000000e-03 -7.2470000000e-04 -7.0520000000e-04  2.2051000000e-03  3.0934000000e-03 -3.0052000000e-03  5.9960000000e-04 -2.3945000000e-03
+
+JOB 84
+COORDS -3.9355050000e+00  2.3167500000e-01  3.6760100000e-01 -3.8496740000e+00 -6.8248100000e-01  6.3812700000e-01 -4.1146830000e+00  1.8818000000e-01 -5.7167300000e-01  3.8969570000e+00 -1.3500200000e-01 -3.5636600000e-01  4.5329350000e+00  6.7074000000e-02  3.2987600000e-01  4.0385490000e+00 -1.0617760000e+00 -5.4942800000e-01
+ENERGY -1.526539589314e+02
+FORCES -1.4700000000e-04 -3.8506000000e-03 -2.7956000000e-03 -4.4270000000e-04  3.6833000000e-03 -1.0653000000e-03  6.1440000000e-04  1.4680000000e-04  3.8417000000e-03  3.1476000000e-03 -2.8639000000e-03  2.0930000000e-03 -2.5643000000e-03 -8.6270000000e-04 -2.8289000000e-03 -6.0820000000e-04  3.7471000000e-03  7.5520000000e-04
+
+JOB 85
+COORDS  1.0424560000e+00  2.3238800000e+00  3.5681070000e+00  4.6157600000e-01  1.7067130000e+00  4.0129850000e+00  1.0624680000e+00  2.0225160000e+00  2.6598060000e+00 -9.7514700000e-01 -2.2685230000e+00 -3.4976260000e+00 -1.8400060000e+00 -2.6780610000e+00 -3.5206330000e+00 -8.1131000000e-01 -2.0027650000e+00 -4.4024810000e+00
+ENERGY -1.526542960397e+02
+FORCES -2.2725000000e-03 -3.8361000000e-03 -2.0046000000e-03  2.3439000000e-03  2.5470000000e-03 -1.7313000000e-03 -7.1400000000e-05  1.3122000000e-03  3.7733000000e-03 -2.8477000000e-03 -6.5100000000e-04 -3.9029000000e-03  3.5266000000e-03  1.6972000000e-03  1.4490000000e-04 -6.7900000000e-04 -1.0692000000e-03  3.7206000000e-03
+
+JOB 86
+COORDS  1.1164010000e+00  4.0615130000e+00 -1.6387610000e+00  1.4474250000e+00  4.8803820000e+00 -1.2698320000e+00  7.1664300000e-01  3.6081820000e+00 -8.9652300000e-01 -1.1016530000e+00 -4.0453600000e+00  1.5237680000e+00 -6.5933800000e-01 -4.8728310000e+00  1.7131940000e+00 -1.7460510000e+00 -3.9516010000e+00  2.2253320000e+00
+ENERGY -1.526540782404e+02
+FORCES -3.0280000000e-04  1.3354000000e-03  4.5465000000e-03 -1.3418000000e-03 -3.3015000000e-03 -1.5117000000e-03  1.6385000000e-03  1.9788000000e-03 -3.0167000000e-03 -8.2420000000e-04 -3.0782000000e-03  3.5693000000e-03 -1.8120000000e-03  3.3937000000e-03 -7.4210000000e-04  2.6423000000e-03 -3.2810000000e-04 -2.8452000000e-03
+
+JOB 87
+COORDS  3.2330510000e+00  4.8654300000e+00  1.9663820000e+00  3.8776950000e+00  5.4633620000e+00  2.3447250000e+00  2.6383710000e+00  4.6650340000e+00  2.6891750000e+00 -3.2657490000e+00 -4.8294320000e+00 -2.0286060000e+00 -3.6302430000e+00 -5.6381600000e+00 -1.6689740000e+00 -2.3615080000e+00 -5.0515910000e+00 -2.2504740000e+00
+ENERGY -1.526540618740e+02
+FORCES  1.6230000000e-04  1.6213000000e-03  4.4818000000e-03 -2.6170000000e-03 -2.4424000000e-03 -1.5430000000e-03  2.4509000000e-03  8.2160000000e-04 -2.9370000000e-03  2.2330000000e-03 -4.1776000000e-03  5.4660000000e-04  1.4761000000e-03  3.2953000000e-03 -1.4592000000e-03 -3.7053000000e-03  8.8190000000e-04  9.1080000000e-04
+
+JOB 88
+COORDS  6.5140830000e+00  3.3218600000e-01  2.1156830000e+00  7.3063890000e+00 -2.0484200000e-01  2.1248120000e+00  5.8194070000e+00 -2.6950300000e-01  1.8480490000e+00 -6.5176370000e+00 -2.7342500000e-01 -2.1667970000e+00 -5.7582760000e+00 -5.9540000000e-02 -1.6247130000e+00 -7.2460050000e+00 -3.2918600000e-01 -1.5482480000e+00
+ENERGY -1.526540805825e+02
+FORCES  4.2690000000e-04 -4.6468000000e-03 -1.0714000000e-03 -3.2402000000e-03  2.1896000000e-03 -3.0700000000e-05  2.8134000000e-03  2.4595000000e-03  1.1032000000e-03  1.1500000000e-04  6.7500000000e-04  4.7341000000e-03 -3.0899000000e-03 -8.9320000000e-04 -2.2122000000e-03  2.9748000000e-03  2.1590000000e-04 -2.5231000000e-03
+
+JOB 89
+COORDS -1.6101070000e+00  3.4038110000e+00  7.1104700000e+00 -1.8275300000e+00  2.9376680000e+00  7.9177300000e+00 -1.7228370000e+00  2.7516380000e+00  6.4189550000e+00  1.6151450000e+00 -3.4071090000e+00 -7.1038380000e+00  1.8122420000e+00 -2.9348240000e+00 -7.9127460000e+00  1.6278590000e+00 -2.7337720000e+00 -6.4236270000e+00
+ENERGY -1.526540861829e+02
+FORCES -1.3530000000e-03 -4.5669000000e-03  4.8720000000e-04  8.8850000000e-04  1.9031000000e-03 -3.2967000000e-03  4.6490000000e-04  2.6655000000e-03  2.8099000000e-03  8.6460000000e-04  4.6782000000e-03 -5.3870000000e-04 -8.0670000000e-04 -1.9281000000e-03  3.3029000000e-03 -5.8300000000e-05 -2.7518000000e-03 -2.7647000000e-03
+
+JOB 0
+COORDS  1.1738210000e+00 -4.0006500000e-01 -5.7708300000e-01  6.8510000000e-01  2.1630500000e-01 -1.1224930000e+00  6.0975900000e-01 -5.4839200000e-01  1.8190600000e-01 -1.0946230000e+00  3.4811200000e-01  4.9315500000e-01 -1.4497410000e+00 -1.7266700000e-01  1.2135110000e+00 -9.8486600000e-01  1.2245510000e+00  8.6198900000e-01
+ENERGY -1.526542018172e+02
+FORCES -1.9367200000e-02  6.7425000000e-03  5.7211000000e-03  3.7460000000e-03  6.4370000000e-04 -1.5420000000e-03  4.0910000000e-03 -4.5934000000e-03  3.4157000000e-03  6.4583000000e-03  2.7400000000e-04 -1.4048000000e-03  5.2560000000e-03  1.8158000000e-03 -3.7545000000e-03 -1.8410000000e-04 -4.8826000000e-03 -2.4355000000e-03
+
+JOB 1
+COORDS  1.1648400000e+00  6.2671500000e-01 -2.9210600000e-01  1.6368200000e+00 -2.0063900000e-01 -1.9748800000e-01  2.4639600000e-01  3.9646300000e-01 -1.5183500000e-01 -1.1433000000e+00 -5.1044200000e-01  2.4918700000e-01 -1.0192870000e+00 -6.9410300000e-01  1.1803800000e+00 -1.2167090000e+00 -1.3736140000e+00 -1.5797100000e-01
+ENERGY -1.526570496008e+02
+FORCES -1.7583900000e-02 -1.1058500000e-02  3.1437000000e-03 -1.2955000000e-03  1.4452000000e-03  1.5230000000e-04  7.0977000000e-03  4.6002000000e-03  6.5010000000e-04  9.4222000000e-03  4.1380000000e-04 -1.3245000000e-03  9.6150000000e-04  5.4420000000e-04 -6.0684000000e-03  1.3981000000e-03  4.0551000000e-03  3.4468000000e-03
+
+JOB 2
+COORDS  2.1541500000e-01  6.6188700000e-01  1.1631280000e+00 -3.0908000000e-02  2.9681500000e-01  3.1325800000e-01  1.1720280000e+00  6.8960000000e-01  1.1442580000e+00 -2.1809600000e-01 -5.9850000000e-01 -1.1426580000e+00 -1.1744910000e+00 -6.3344000000e-01 -1.1247400000e+00  5.8976000000e-02 -1.3156410000e+00 -5.7241900000e-01
+ENERGY -1.526562652544e+02
+FORCES -1.0570000000e-04 -5.0287000000e-03 -1.8674600000e-02 -1.3329000000e-03 -3.0519000000e-03  1.0097100000e-02 -2.7931000000e-03 -1.6508000000e-03 -2.0820000000e-04 -1.2450000000e-03 -9.3270000000e-04  6.2739000000e-03  6.5598000000e-03  1.8542000000e-03  2.6533000000e-03 -1.0830000000e-03  8.8097000000e-03 -1.4160000000e-04
+
+JOB 3
+COORDS -9.9664300000e-01  7.9457300000e-01  6.4849000000e-02 -1.4468310000e+00  9.7147600000e-01 -7.6114600000e-01 -1.6790080000e+00  4.5033100000e-01  6.4113700000e-01  1.0850120000e+00 -8.3541400000e-01  2.9560000000e-03  4.7966600000e-01 -1.0753200000e-01  1.4428900000e-01  1.2967540000e+00 -7.9383700000e-01 -9.2960400000e-01
+ENERGY -1.526579430733e+02
+FORCES  4.2874000000e-03 -8.9012000000e-03 -2.2733000000e-03  1.3627000000e-03 -1.1133000000e-03  4.3161000000e-03  3.0150000000e-03  2.1875000000e-03 -3.6767000000e-03 -1.4090100000e-02  1.2194700000e-02 -2.3652000000e-03  6.6089000000e-03 -4.5353000000e-03  1.9921000000e-03 -1.1840000000e-03  1.6770000000e-04  2.0069000000e-03
+
+JOB 4
+COORDS -3.3701000000e-01 -8.4974000000e-01 -9.3533400000e-01 -8.6699400000e-01 -1.4849630000e+00 -4.5383600000e-01  5.2379400000e-01 -1.2618930000e+00 -1.0086730000e+00  3.4991900000e-01  9.4920600000e-01  9.5804400000e-01  5.9376000000e-01  7.2590700000e-01  5.9762000000e-02 -5.4176200000e-01  6.1488700000e-01  1.0548290000e+00
+ENERGY -1.526536149722e+02
+FORCES  2.7710000000e-03 -2.0090000000e-04  8.7672000000e-03  2.0001000000e-03  3.7153000000e-03 -1.5989000000e-03 -3.4179000000e-03  4.6190000000e-03  9.3770000000e-04 -8.0196000000e-03 -1.0540300000e-02 -1.2664700000e-02  6.2368000000e-03  1.6666000000e-03  9.4110000000e-04  4.2960000000e-04  7.4030000000e-04  3.6175000000e-03
+
+JOB 5
+COORDS  5.3442700000e-01  1.5416400000e-01 -1.2620520000e+00  4.0705600000e-01  1.3776800000e-01 -3.1350600000e-01  3.9147200000e-01  1.0682150000e+00 -1.5076250000e+00 -4.6879500000e-01 -1.6362100000e-01  1.2141820000e+00 -1.4061480000e+00 -3.9849000000e-02  1.0649150000e+00 -3.7876600000e-01 -1.0950890000e+00  1.4154150000e+00
+ENERGY -1.526596916858e+02
+FORCES -5.1187000000e-03  7.8420000000e-04  1.5274700000e-02  4.4344000000e-03  2.2460000000e-04 -9.1419000000e-03 -8.4330000000e-04 -2.6691000000e-03  1.7744000000e-03 -2.4907000000e-03 -2.6460000000e-03 -7.5436000000e-03  4.6678000000e-03 -7.5710000000e-04  1.4088000000e-03 -6.4950000000e-04  5.0635000000e-03 -1.7724000000e-03
+
+JOB 6
+COORDS  6.3244900000e-01 -1.0783780000e+00  3.7665900000e-01  1.4407960000e+00 -1.5528990000e+00  1.8265600000e-01  5.8106100000e-01 -1.0725870000e+00  1.3324610000e+00 -6.8037100000e-01  1.1617250000e+00 -3.7369900000e-01 -1.0195200000e+00  1.1085480000e+00 -1.2672210000e+00 -2.5952100000e-01  3.1479700000e-01 -2.2594500000e-01
+ENERGY -1.526605600784e+02
+FORCES  3.6410000000e-04  4.9031000000e-03 -2.8130000000e-04 -3.7525000000e-03  1.2651000000e-03  2.6235000000e-03  1.1460000000e-03 -4.2380000000e-04 -5.3129000000e-03  6.5066000000e-03 -1.1982000000e-02  9.6240000000e-04  1.8572000000e-03 -8.9860000000e-04  2.3185000000e-03 -6.1215000000e-03  7.1361000000e-03 -3.1030000000e-04
+
+JOB 7
+COORDS  1.2698470000e+00  3.7307500000e-01 -4.3551700000e-01  5.2758200000e-01  2.6908100000e-01  1.5984800000e-01  2.0201690000e+00  5.2144300000e-01  1.4001500000e-01 -1.2985870000e+00 -3.1751500000e-01  3.5684200000e-01 -1.1740380000e+00 -1.0675540000e+00 -2.2467300000e-01 -9.3675500000e-01 -6.0188700000e-01  1.1961530000e+00
+ENERGY -1.526562853593e+02
+FORCES -9.3166000000e-03  4.6200000000e-04  3.4902000000e-03  9.6790000000e-03 -2.5398000000e-03  1.9245000000e-03 -4.8374000000e-03 -1.2929000000e-03 -3.5330000000e-04  1.5406000000e-03 -5.7296000000e-03 -2.8692000000e-03 -3.8350000000e-04  4.3039000000e-03  4.1427000000e-03  3.3178000000e-03  4.7964000000e-03 -6.3349000000e-03
+
+JOB 8
+COORDS  8.2505000000e-02  1.1698210000e+00  6.7035700000e-01  9.4104100000e-01  8.7709200000e-01  9.7606500000e-01 -4.1472900000e-01  1.3332050000e+00  1.4717900000e+00 -4.6734000000e-02 -1.1978940000e+00 -7.7038100000e-01 -9.0500100000e-01 -1.5489920000e+00 -5.3302400000e-01 -8.9424000000e-02 -2.7358300000e-01 -5.2531200000e-01
+ENERGY -1.526598353907e+02
+FORCES  6.1210000000e-04 -4.8533000000e-03  3.6195000000e-03 -5.2963000000e-03  1.2836000000e-03 -2.3046000000e-03  3.0343000000e-03 -8.5570000000e-04 -3.1572000000e-03 -4.2196000000e-03  1.0901600000e-02  6.7349000000e-03  2.3892000000e-03  8.7470000000e-04 -3.6070000000e-04  3.4802000000e-03 -7.3509000000e-03 -4.5318000000e-03
+
+JOB 9
+COORDS  1.1438300000e-01 -1.2064180000e+00 -5.9579800000e-01  1.0214590000e+00 -1.5111970000e+00 -5.7223800000e-01 -3.5335600000e-01 -1.7993120000e+00 -7.6400000000e-03 -8.2520000000e-02  1.2847470000e+00  5.7991300000e-01 -9.4058000000e-01  1.7067950000e+00  6.2282100000e-01 -2.5937200000e-01  4.1810100000e-01  2.1401700000e-01
+ENERGY -1.526600318438e+02
+FORCES  5.0605000000e-03 -1.4400000000e-04  2.4344000000e-03 -5.2010000000e-03 -8.1800000000e-05 -4.0700000000e-05  2.0078000000e-03  5.4879000000e-03 -2.0391000000e-03 -2.6780000000e-04 -9.9451000000e-03 -6.7332000000e-03  2.1278000000e-03 -3.3813000000e-03 -6.7280000000e-04 -3.7274000000e-03  8.0643000000e-03  7.0514000000e-03
+
+JOB 10
+COORDS  2.6693800000e-01  7.9848500000e-01  1.0224260000e+00  9.1616800000e-01  1.4814670000e+00  1.1905580000e+00 -2.8803400000e-01  7.9769900000e-01  1.8023210000e+00 -2.5549600000e-01 -8.1092600000e-01 -1.1314950000e+00 -2.0718900000e-01 -3.3795900000e-01 -3.0071200000e-01 -5.7485300000e-01 -1.6814250000e+00 -8.9385300000e-01
+ENERGY -1.526597389871e+02
+FORCES  1.6995000000e-03  4.6700000000e-04 -3.0889000000e-03 -3.9407000000e-03 -2.5720000000e-03  1.6575000000e-03  2.9715000000e-03 -4.2770000000e-04 -4.0221000000e-03  2.7334000000e-03  5.8343000000e-03  9.9106000000e-03 -4.2036000000e-03 -6.6617000000e-03 -5.3553000000e-03  7.3990000000e-04  3.3602000000e-03  8.9820000000e-04
+
+JOB 11
+COORDS  2.5677200000e-01  1.0593040000e+00 -9.1909700000e-01  9.9600000000e-02  5.1519500000e-01 -1.4742800000e-01 -6.1787100000e-01  1.2817780000e+00 -1.2380610000e+00 -2.3414800000e-01 -1.0022910000e+00  8.5458600000e-01  3.3227600000e-01 -1.7373880000e+00  6.2000700000e-01 -2.2276800000e-01 -9.8641600000e-01  1.8115860000e+00
+ENERGY -1.526612141516e+02
+FORCES -5.2661000000e-03 -9.1754000000e-03  8.1134000000e-03  2.3902000000e-03  7.8370000000e-03 -5.4565000000e-03  2.3323000000e-03 -7.0130000000e-04  1.1519000000e-03  3.1106000000e-03 -1.2965000000e-03 -1.4051000000e-03 -3.0283000000e-03  3.4436000000e-03  2.7463000000e-03  4.6140000000e-04 -1.0740000000e-04 -5.1500000000e-03
+
+JOB 12
+COORDS  6.6221700000e-01 -9.3738000000e-01  9.0464600000e-01  8.2459000000e-01 -2.1375200000e-01  1.5098150000e+00  1.6380200000e-01 -5.4397500000e-01  1.8837300000e-01 -5.9857300000e-01  8.3287400000e-01 -8.6716700000e-01 -1.3513730000e+00  1.2616500000e+00 -4.6013400000e-01 -6.3653900000e-01  1.1017910000e+00 -1.7850310000e+00
+ENERGY -1.526602985828e+02
+FORCES -3.7695000000e-03  9.8145000000e-03 -6.9825000000e-03 -8.1570000000e-04 -2.2535000000e-03 -6.7450000000e-04  2.0557000000e-03 -5.6756000000e-03  5.7500000000e-03 -6.2820000000e-04  9.3000000000e-05 -6.0120000000e-04  4.1321000000e-03 -1.8065000000e-03 -2.2429000000e-03 -9.7450000000e-04 -1.7180000000e-04  4.7511000000e-03
+
+JOB 13
+COORDS -3.3412300000e-01  1.2917960000e+00  3.6338700000e-01  4.6827600000e-01  1.1488310000e+00  8.6533200000e-01 -9.2715400000e-01  1.7251660000e+00  9.7717600000e-01  3.6683900000e-01 -1.3509430000e+00 -4.8009500000e-01  2.0950000000e-02 -4.8027900000e-01 -6.7640500000e-01 -1.2564000000e-02 -1.5738440000e+00  3.6996400000e-01
+ENERGY -1.526591744663e+02
+FORCES  1.3296000000e-03  2.9700000000e-05  3.5419000000e-03 -5.0781000000e-03  1.5490000000e-04 -2.3115000000e-03  3.5346000000e-03 -2.5088000000e-03 -1.6919000000e-03 -7.0049000000e-03  8.0528000000e-03  3.7045000000e-03  4.7092000000e-03 -5.3867000000e-03 -1.6054000000e-03  2.5096000000e-03 -3.4190000000e-04 -1.6376000000e-03
+
+JOB 14
+COORDS -1.1374610000e+00 -6.2610800000e-01  4.2959400000e-01 -2.0785920000e+00 -4.5408200000e-01  4.5975700000e-01 -8.9492200000e-01 -7.9422700000e-01  1.3401670000e+00  1.2448880000e+00  6.3228400000e-01 -4.8542300000e-01  6.2728400000e-01  1.2109400000e+00 -9.3258700000e-01  6.9803200000e-01 -5.6773000000e-02 -1.0809000000e-01
+ENERGY -1.526579754849e+02
+FORCES -1.6949000000e-03  2.4707000000e-03  1.5105000000e-03  4.1541000000e-03 -8.2910000000e-04  8.6070000000e-04  3.7260000000e-04  1.2176000000e-03 -5.7046000000e-03 -1.2896200000e-02 -3.0035000000e-03  5.9620000000e-04  3.1698000000e-03  1.8770000000e-04  1.4510000000e-04  6.8946000000e-03 -4.3500000000e-05  2.5920000000e-03
+
+JOB 15
+COORDS -1.1938800000e+00  5.3676100000e-01 -5.6550000000e-01 -4.9023300000e-01  5.5597000000e-01  8.3148000000e-02 -1.6755840000e+00  1.3512400000e+00 -4.2121800000e-01  1.1771250000e+00 -5.1425000000e-01  5.0566600000e-01  1.4330300000e+00 -1.2064320000e+00 -1.0394700000e-01  1.0597500000e+00 -9.6313300000e-01  1.3428980000e+00
+ENERGY -1.526598594094e+02
+FORCES  7.4518000000e-03 -1.0122000000e-03  3.8378000000e-03 -9.1389000000e-03  4.3638000000e-03 -1.5381000000e-03  3.0679000000e-03 -2.9399000000e-03  8.6330000000e-04 -1.2399000000e-03 -5.4353000000e-03 -3.4205000000e-03  2.5020000000e-04  2.2955000000e-03  4.2430000000e-03 -3.9110000000e-04  2.7281000000e-03 -3.9855000000e-03
+
+JOB 16
+COORDS -3.5268000000e-01 -1.2436440000e+00  5.7714500000e-01 -8.8138500000e-01 -1.9937860000e+00  3.0513400000e-01  4.7901700000e-01 -1.3567510000e+00  1.1701700000e-01  2.7926700000e-01  1.3190710000e+00 -5.7435800000e-01  8.6348400000e-01  1.7761820000e+00  3.0598000000e-02  5.6970800000e-01  4.0744800000e-01 -5.4573500000e-01
+ENERGY -1.526488867424e+02
+FORCES -4.3830000000e-04 -2.4157000000e-03 -3.3480000000e-03  2.4930000000e-03  3.8329000000e-03  1.5967000000e-03 -3.3332000000e-03  7.6492000000e-03 -3.5700000000e-04 -8.8250000000e-04 -5.4888000000e-03  6.2797000000e-03 -2.1003000000e-03 -2.1248000000e-03 -2.5545000000e-03  4.2613000000e-03 -1.4526000000e-03 -1.6169000000e-03
+
+JOB 17
+COORDS  2.9668900000e-01 -4.8405600000e-01  1.2563940000e+00  1.2434060000e+00 -4.1534100000e-01  1.3798320000e+00 -3.4520000000e-03 -1.0159330000e+00  1.9934520000e+00 -3.5327200000e-01  5.7578000000e-01 -1.3237150000e+00 -3.9347100000e-01 -2.2045300000e-01 -1.8534580000e+00  3.6721000000e-02  2.9404600000e-01 -4.9621000000e-01
+ENERGY -1.526594237418e+02
+FORCES -1.5768000000e-03 -1.6289000000e-03  2.5750000000e-03 -5.2731000000e-03 -1.8470000000e-04 -2.1293000000e-03  3.1990000000e-03  2.1070000000e-03 -2.5026000000e-03  7.1790000000e-04 -6.8212000000e-03  8.1311000000e-03  1.7350000000e-04  2.4127000000e-03  1.2848000000e-03  2.7596000000e-03  4.1151000000e-03 -7.3589000000e-03
+
+JOB 18
+COORDS -5.6765300000e-01 -6.9007500000e-01  1.1799660000e+00 -8.6267000000e-02 -5.7656600000e-01  1.9994870000e+00 -3.4949000000e-02 -2.3987100000e-01  5.2439400000e-01  4.4884000000e-01  6.6929600000e-01 -1.1614220000e+00  7.2970100000e-01 -1.2932600000e-01 -1.6081350000e+00  1.2120220000e+00  1.2458690000e+00 -1.1981350000e+00
+ENERGY -1.526601957024e+02
+FORCES  4.3405000000e-03  6.4922000000e-03 -5.3123000000e-03 -8.3320000000e-04  2.7970000000e-04 -3.3490000000e-03 -1.7293000000e-03 -7.9007000000e-03  7.6277000000e-03  2.8895000000e-03  5.3920000000e-04 -4.1888000000e-03 -1.0926000000e-03  4.1512000000e-03  4.6750000000e-03 -3.5749000000e-03 -3.5617000000e-03  5.4740000000e-04
+
+JOB 19
+COORDS -1.3983500000e-01  1.0312050000e+00  9.5377300000e-01 -8.3545000000e-02  1.8811700000e+00  5.1716900000e-01 -9.4017400000e-01  1.0823690000e+00  1.4763350000e+00  1.3424100000e-01 -1.0795650000e+00 -1.0094820000e+00  9.7004300000e-01 -1.5448840000e+00 -9.7563000000e-01  9.5110000000e-02 -5.9614200000e-01 -1.8425300000e-01
+ENERGY -1.526615572964e+02
+FORCES -2.6462000000e-03  4.2305000000e-03 -2.1302000000e-03 -8.0950000000e-04 -3.2344000000e-03  3.4200000000e-03  3.7720000000e-03 -4.2300000000e-05 -2.8335000000e-03  1.4212000000e-03  5.4341000000e-03  7.2997000000e-03 -2.5030000000e-03  2.1334000000e-03  4.3890000000e-04  7.6540000000e-04 -8.5213000000e-03 -6.1949000000e-03
+
+JOB 20
+COORDS -3.2549900000e-01  2.6304500000e-01  1.3644210000e+00 -1.0285950000e+00 -3.2429600000e-01  1.6417630000e+00 -7.3933000000e-01  1.1245400000e+00  1.3114670000e+00  3.3999700000e-01 -3.0510200000e-01 -1.4031370000e+00  1.1654850000e+00 -1.7233400000e-01 -1.8691560000e+00  4.8335600000e-01  9.0738000000e-02 -5.4349100000e-01
+ENERGY -1.526602902229e+02
+FORCES -6.3774000000e-03 -1.9090000000e-03  4.0920000000e-04  2.7061000000e-03  3.7778000000e-03  1.5110000000e-04  2.7370000000e-03 -4.1814000000e-03 -8.4810000000e-04  1.1630000000e-03  1.3776000000e-03  7.3542000000e-03 -2.7209000000e-03  1.7030000000e-04  2.9413000000e-03  2.4921000000e-03  7.6470000000e-04 -1.0007600000e-02
+
+JOB 21
+COORDS -5.3461900000e-01 -1.2836380000e+00  4.1396300000e-01 -1.2083840000e+00 -1.7690670000e+00  8.9002100000e-01 -7.7679600000e-01 -3.6438500000e-01  5.2602200000e-01  5.9595500000e-01  1.2758520000e+00 -3.8853200000e-01  6.6595400000e-01  4.0173700000e-01 -7.7227100000e-01  3.9899900000e-01  1.8483560000e+00 -1.1299360000e+00
+ENERGY -1.526601211914e+02
+FORCES -2.5863000000e-03  3.2405000000e-03  3.1607000000e-03  2.0127000000e-03  3.0330000000e-03 -1.3973000000e-03  4.3670000000e-04 -7.6691000000e-03 -2.1456000000e-03  2.2017000000e-03 -2.2015000000e-03 -5.2580000000e-03 -2.6341000000e-03  6.4429000000e-03  2.6347000000e-03  5.6930000000e-04 -2.8459000000e-03  3.0055000000e-03
+
+JOB 22
+COORDS  1.7595400000e-01  9.9579600000e-01  1.1380440000e+00  4.8842000000e-01  5.1605800000e-01  3.7094000000e-01 -6.8564800000e-01  6.2105100000e-01  1.3209070000e+00 -1.9085500000e-01 -8.9269900000e-01 -1.0756940000e+00 -3.7142100000e-01 -1.8305380000e+00 -1.0117810000e+00  6.3016900000e-01 -8.3916800000e-01 -1.5648630000e+00
+ENERGY -1.526579730158e+02
+FORCES -5.2138000000e-03 -8.4166000000e-03 -7.5748000000e-03  4.8778000000e-03  4.8577000000e-03  2.4932000000e-03  1.9638000000e-03  2.1416000000e-03  2.1222000000e-03  1.1345000000e-03 -4.1287000000e-03 -1.1823000000e-03  7.2520000000e-04  4.5686000000e-03 -7.0610000000e-04 -3.4874000000e-03  9.7740000000e-04  4.8478000000e-03
+
+JOB 23
+COORDS  8.2350000000e-02 -3.4289300000e-01 -1.3660690000e+00  3.2118800000e-01  4.0142300000e-01 -1.9185030000e+00  4.4561200000e-01 -1.1040540000e+00 -1.8187350000e+00 -1.4558400000e-01  3.3848800000e-01  1.4757190000e+00 -2.1854600000e-01 -2.7235200000e-01  7.4238200000e-01  4.8184800000e-01  9.9716700000e-01  1.1778880000e+00
+ENERGY -1.526591585491e+02
+FORCES  1.7092000000e-03  1.7415000000e-03 -3.3492000000e-03 -2.5050000000e-04 -3.8342000000e-03  2.2736000000e-03 -1.6005000000e-03  3.8421000000e-03  2.3677000000e-03  2.7143000000e-03 -1.0994000000e-03 -1.1032400000e-02 -9.7980000000e-04 -2.9620000000e-04  7.6367000000e-03 -1.5927000000e-03 -3.5370000000e-04  2.1036000000e-03
+
+JOB 24
+COORDS  1.2364790000e+00  7.6906500000e-01 -1.5240700000e-01  1.6809160000e+00  1.4737610000e+00  3.1888000000e-01  4.0564600000e-01  1.1537840000e+00 -4.3158400000e-01 -1.2509200000e+00 -7.9998900000e-01  8.6211000000e-02 -5.4949600000e-01 -1.4475740000e+00  1.6428000000e-02 -1.3436930000e+00 -6.4707900000e-01  1.0265540000e+00
+ENERGY -1.526572427227e+02
+FORCES -5.1260000000e-03  2.6577000000e-03 -6.6380000000e-04 -2.8518000000e-03 -3.0869000000e-03 -1.1128000000e-03  6.1751000000e-03  1.4317000000e-03  9.9200000000e-04  7.2327000000e-03 -1.8021000000e-03  4.2219000000e-03 -4.8524000000e-03  9.2010000000e-04  1.3980000000e-04 -5.7760000000e-04 -1.2050000000e-04 -3.5771000000e-03
+
+JOB 25
+COORDS -8.9746900000e-01 -1.1648030000e+00 -8.5655000000e-02 -3.3486900000e-01 -1.2368770000e+00 -8.5670500000e-01 -5.9281000000e-01 -1.8584330000e+00  4.9940300000e-01  8.7592700000e-01  1.2572120000e+00  1.3115300000e-01  1.1590520000e+00  8.5882300000e-01 -6.9186400000e-01  3.6184000000e-02  8.3994000000e-01  3.2337300000e-01
+ENERGY -1.526573112480e+02
+FORCES  4.2879000000e-03 -4.8795000000e-03 -2.8350000000e-04 -1.5206000000e-03  2.6305000000e-03  3.7475000000e-03 -1.4451000000e-03  3.2201000000e-03 -3.1626000000e-03 -6.0937000000e-03 -7.0326000000e-03 -1.8658000000e-03 -5.9370000000e-04  2.2880000000e-04  2.0165000000e-03  5.3653000000e-03  5.8326000000e-03 -4.5220000000e-04
+
+JOB 26
+COORDS -9.4343800000e-01 -8.8401200000e-01  7.4322700000e-01 -1.3235550000e+00 -1.2650400000e-01  2.9834100000e-01 -1.1475730000e+00 -1.6248690000e+00  1.7253400000e-01  9.8882800000e-01  9.4031500000e-01 -7.3073300000e-01  1.6078190000e+00  3.1201200000e-01 -3.5882200000e-01  1.3817000000e-01  6.7466800000e-01 -3.8138300000e-01
+ENERGY -1.526525906193e+02
+FORCES -3.7901000000e-03 -1.6311000000e-03 -4.3712000000e-03  9.3001000000e-03 -3.2320000000e-04 -5.8290000000e-04  1.3964000000e-03  3.8082000000e-03  3.1274000000e-03 -1.0621000000e-03 -8.3692000000e-03  7.0818000000e-03 -1.6160000000e-04  3.2658000000e-03 -2.9818000000e-03 -5.6828000000e-03  3.2496000000e-03 -2.2732000000e-03
+
+JOB 27
+COORDS  9.6733000000e-02  1.4330960000e+00 -2.5129500000e-01 -2.5587100000e-01  2.0292730000e+00  4.0936800000e-01  8.6876200000e-01  1.8837000000e+00 -5.9358000000e-01 -1.3228500000e-01 -1.5460950000e+00  1.9872000000e-01  1.2046100000e-01 -1.4659850000e+00  1.1184660000e+00 -2.0016300000e-01 -6.4295300000e-01 -1.1105100000e-01
+ENERGY -1.526608557396e+02
+FORCES  2.2518000000e-03  4.2821000000e-03  7.2230000000e-04  2.3889000000e-03 -2.6366000000e-03 -2.8686000000e-03 -3.8684000000e-03 -1.0623000000e-03  2.2432000000e-03  1.5967000000e-03  9.2894000000e-03  1.1822000000e-03 -9.5070000000e-04 -8.9940000000e-04 -2.2828000000e-03 -1.4183000000e-03 -8.9732000000e-03  1.0038000000e-03
+
+JOB 28
+COORDS -3.1449000000e-02 -1.3229300000e+00 -8.3566900000e-01 -8.8126300000e-01 -1.0740530000e+00 -4.7220000000e-01  4.7712800000e-01 -1.6144620000e+00 -7.8972000000e-02 -4.2720000000e-03  1.3166640000e+00  7.9797500000e-01  8.4834300000e-01  9.4937500000e-01  1.0311670000e+00  1.6476300000e-01  1.8349630000e+00  1.1193000000e-02
+ENERGY -1.526552787232e+02
+FORCES -2.8759000000e-03  3.5557000000e-03  7.2281000000e-03  2.4243000000e-03 -3.4769000000e-03 -3.0459000000e-03 -4.7650000000e-04  1.0930000000e-03 -2.8504000000e-03  5.3359000000e-03 -9.8350000000e-04 -5.6217000000e-03 -3.3999000000e-03  6.9440000000e-04  3.0880000000e-04 -1.0079000000e-03 -8.8270000000e-04  3.9812000000e-03
+
+JOB 29
+COORDS  6.3364100000e-01 -4.2090500000e-01 -1.3869960000e+00 -1.9842200000e-01 -5.5935500000e-01 -1.8394710000e+00  4.0330400000e-01 -4.1368000000e-01 -4.5795100000e-01 -5.0922400000e-01  4.2806800000e-01  1.3433360000e+00 -9.8675400000e-01 -2.3634500000e-01  1.8400770000e+00 -1.1661430000e+00  1.0938920000e+00  1.1399460000e+00
+ENERGY -1.526598775869e+02
+FORCES -5.1653000000e-03  1.4087000000e-03  6.5988000000e-03  2.4889000000e-03  6.1350000000e-04  1.3011000000e-03  3.0440000000e-03 -3.8246000000e-03 -8.2423000000e-03 -5.1056000000e-03  2.8719000000e-03  2.6808000000e-03  2.2528000000e-03  2.8482000000e-03 -3.6149000000e-03  2.4852000000e-03 -3.9177000000e-03  1.2765000000e-03
+
+JOB 30
+COORDS  1.0130100000e-01 -7.6319100000e-01 -1.3711290000e+00  3.3384400000e-01 -1.6320100000e-01 -2.0797670000e+00 -1.4165400000e-01 -1.9162900000e-01 -6.4276000000e-01 -7.7530000000e-02  6.4943700000e-01  1.3193870000e+00  3.4849200000e-01  1.4459410000e+00  1.6361190000e+00 -9.0102500000e-01  6.0815500000e-01  1.8055800000e+00
+ENERGY -1.526603294202e+02
+FORCES  3.6060000000e-04  5.9370000000e-03  4.9529000000e-03 -6.2050000000e-04 -1.6622000000e-03  2.5453000000e-03 -1.0424000000e-03 -4.4900000000e-03 -8.7967000000e-03 -8.9800000000e-05  3.0307000000e-03  4.8941000000e-03 -2.6074000000e-03 -3.4848000000e-03 -9.2380000000e-04  3.9994000000e-03  6.6930000000e-04 -2.6718000000e-03
+
+JOB 31
+COORDS  1.3343790000e+00  6.6224500000e-01  4.2411000000e-02  1.7833100000e+00 -1.5789100000e-01 -1.6269800000e-01  1.9602040000e+00  1.1513010000e+00  5.7663800000e-01 -1.4367490000e+00 -6.3280400000e-01 -9.4090000000e-03 -1.6881680000e+00 -9.6870700000e-01 -8.6975100000e-01 -4.9755200000e-01 -4.6333400000e-01 -8.3033000000e-02
+ENERGY -1.526575583445e+02
+FORCES  5.3327000000e-03  2.0437000000e-03  3.3894000000e-03 -5.4333000000e-03  3.0025000000e-03  9.1150000000e-04 -1.6265000000e-03 -2.4972000000e-03 -3.2105000000e-03  5.0662000000e-03  3.3960000000e-03 -2.4579000000e-03  1.6785000000e-03  1.0558000000e-03  3.0442000000e-03 -5.0177000000e-03 -7.0008000000e-03 -1.6767000000e-03
+
+JOB 32
+COORDS  5.2721400000e-01 -1.3431200000e+00 -7.0397500000e-01 -3.9922900000e-01 -1.2411180000e+00 -4.8595800000e-01  9.4923600000e-01 -5.7205500000e-01 -3.2504600000e-01 -5.0991500000e-01  1.2258880000e+00  6.6939600000e-01 -5.3113000000e-02  1.7812850000e+00  3.7654000000e-02 -7.8451500000e-01  1.8263820000e+00  1.3623850000e+00
+ENERGY -1.526580121129e+02
+FORCES -4.2880000000e-03  5.9128000000e-03  5.9099000000e-03  2.9044000000e-03 -3.1051000000e-03 -2.7674000000e-03  1.5361000000e-03 -2.2962000000e-03 -4.0152000000e-03 -4.6070000000e-04  5.6927000000e-03  1.1157000000e-03 -9.2120000000e-04 -3.8640000000e-03  3.2941000000e-03  1.2293000000e-03 -2.3401000000e-03 -3.5371000000e-03
+
+JOB 33
+COORDS  5.2863800000e-01 -9.3051700000e-01  1.1857270000e+00  1.4826590000e+00 -9.6068900000e-01  1.2575940000e+00  3.6440600000e-01 -4.7001000000e-01  3.6280900000e-01 -5.9559400000e-01  9.2132600000e-01 -1.0852790000e+00  9.3840000000e-02  1.3798940000e+00 -1.5655160000e+00 -8.3659900000e-01  1.8883000000e-01 -1.6523750000e+00
+ENERGY -1.526587421412e+02
+FORCES  5.1480000000e-04  5.2097000000e-03 -4.5249000000e-03 -3.3614000000e-03  4.7880000000e-04 -8.6830000000e-04  3.9228000000e-03 -7.8098000000e-03  4.7170000000e-03 -1.3756000000e-03  2.4800000000e-03 -6.5779000000e-03 -2.7647000000e-03 -3.2646000000e-03  2.8757000000e-03  3.0641000000e-03  2.9060000000e-03  4.3785000000e-03
+
+JOB 34
+COORDS -4.0904000000e-01 -3.0490800000e-01 -1.4215930000e+00  6.3100000000e-04 -3.6841200000e-01 -2.2843610000e+00 -8.7713900000e-01 -1.1332200000e+00 -1.3166400000e+00  4.5891800000e-01  3.5256400000e-01  1.5176240000e+00  5.4389400000e-01  1.7989100000e-01  5.7997000000e-01 -4.2559000000e-01  7.0452200000e-01  1.6176390000e+00
+ENERGY -1.526605702377e+02
+FORCES -1.2898000000e-03 -4.0266000000e-03 -4.7583000000e-03 -2.1011000000e-03 -2.4890000000e-04  3.9820000000e-03  2.3336000000e-03  4.1293000000e-03 -6.9670000000e-04 -4.1371000000e-03  7.9990000000e-04 -7.6254000000e-03  2.5296000000e-03  7.4940000000e-04  8.1188000000e-03  2.6649000000e-03 -1.4031000000e-03  9.7960000000e-04
+
+JOB 35
+COORDS -3.2661700000e-01 -1.1357550000e+00 -1.1298880000e+00 -4.3992100000e-01 -4.7093400000e-01 -1.8091580000e+00  3.3197000000e-02 -6.5702100000e-01 -3.8317600000e-01  3.5021900000e-01  1.0456120000e+00  1.0706390000e+00  1.2633500000e-01  5.7452900000e-01  1.8732520000e+00 -7.7570000000e-02  1.8967240000e+00  1.1646490000e+00
+ENERGY -1.526597987262e+02
+FORCES  2.1215000000e-03  8.2444000000e-03  2.5603000000e-03 -1.7140000000e-04 -2.6819000000e-03  1.2670000000e-03 -1.8103000000e-03 -7.3768000000e-03 -3.6778000000e-03 -3.1573000000e-03  3.9013000000e-03  4.3271000000e-03  8.9620000000e-04  1.6025000000e-03 -4.7644000000e-03  2.1212000000e-03 -3.6894000000e-03  2.8780000000e-04
+
+JOB 36
+COORDS -1.2078490000e+00  6.2164500000e-01  7.8137800000e-01 -6.3571100000e-01  1.2411050000e+00  1.2343240000e+00 -1.8052220000e+00  1.1724790000e+00  2.7545400000e-01  1.2481640000e+00 -6.4884500000e-01 -8.2400700000e-01  1.3304390000e+00 -1.5513570000e+00 -5.1589200000e-01  4.7455200000e-01 -3.1083200000e-01 -3.7289400000e-01
+ENERGY -1.526610827485e+02
+FORCES -3.3380000000e-03  6.4856000000e-03  1.4759000000e-03 -2.2422000000e-03 -3.7283000000e-03 -3.2972000000e-03  3.0886000000e-03 -2.3214000000e-03  2.7243000000e-03 -6.1688000000e-03 -1.3026000000e-03  4.1735000000e-03 -3.4400000000e-05  3.0427000000e-03 -1.0088000000e-03  8.6947000000e-03 -2.1760000000e-03 -4.0677000000e-03
+
+JOB 37
+COORDS -5.0947300000e-01  9.0543700000e-01  1.1316320000e+00 -5.0379600000e-01  4.5613700000e-01  1.9768130000e+00 -1.0083440000e+00  1.7069980000e+00  1.2893000000e+00  5.5152800000e-01 -9.6094000000e-01 -1.2412050000e+00 -5.0668000000e-02 -2.1925600000e-01 -1.1820690000e+00  8.7894200000e-01 -1.0759510000e+00 -3.4912600000e-01
+ENERGY -1.526580922294e+02
+FORCES -2.3338000000e-03  1.9642000000e-03  5.0150000000e-03  4.6640000000e-04  1.9099000000e-03 -3.8857000000e-03  2.0190000000e-03 -3.7370000000e-03 -6.6870000000e-04 -2.3756000000e-03  5.4929000000e-03  6.8947000000e-03  1.9499000000e-03 -3.4636000000e-03 -4.3219000000e-03  2.7410000000e-04 -2.1665000000e-03 -3.0335000000e-03
+
+JOB 38
+COORDS  2.2585700000e-01 -9.9016400000e-01 -1.2893060000e+00  1.1714520000e+00 -1.0931700000e+00 -1.1821990000e+00 -3.6435000000e-02 -4.1801400000e-01 -5.6814000000e-01 -2.4229600000e-01  9.6996500000e-01  1.1797560000e+00 -9.2693400000e-01  3.6406900000e-01  1.4632940000e+00  1.6192000000e-02  1.4305840000e+00  1.9780330000e+00
+ENERGY -1.526587572173e+02
+FORCES  3.7236000000e-03  5.1203000000e-03  5.0605000000e-03 -2.9985000000e-03 -4.8050000000e-04 -1.0518000000e-03 -2.2700000000e-03 -6.3728000000e-03 -4.0157000000e-03 -9.2870000000e-04  1.8905000000e-03  6.2560000000e-03  4.4207000000e-03  2.0171000000e-03 -3.3029000000e-03 -1.9471000000e-03 -2.1746000000e-03 -2.9461000000e-03
+
+JOB 39
+COORDS -1.4697250000e+00 -5.0536500000e-01 -3.8264400000e-01 -1.5162050000e+00 -5.4070100000e-01 -1.3380620000e+00 -1.0285160000e+00 -1.3175000000e+00 -1.3363800000e-01  1.4923950000e+00  5.8330200000e-01  4.5235600000e-01  1.1287310000e+00 -2.7145100000e-01  6.8339200000e-01  1.0496060000e+00  8.2017800000e-01 -3.6254200000e-01
+ENERGY -1.526541182336e+02
+FORCES -8.6900000000e-04 -4.3422000000e-03 -2.7676000000e-03  1.3456000000e-03  9.1940000000e-04  4.5973000000e-03  3.2140000000e-04  4.8688000000e-03 -4.9910000000e-04 -7.8042000000e-03 -1.8522000000e-03 -2.4578000000e-03  2.5515000000e-03  7.2350000000e-04 -4.5060000000e-04  4.4547000000e-03 -3.1740000000e-04  1.5778000000e-03
+
+JOB 40
+COORDS  1.3841700000e-01 -2.0891000000e-02  1.6889920000e+00  1.1262000000e-02  7.9385700000e-01  1.2029370000e+00 -1.8982400000e-01 -7.0333300000e-01  1.1035330000e+00 -3.8759000000e-02  2.6180000000e-02 -1.6382410000e+00 -4.3483200000e-01 -5.8489000000e-01 -1.0169910000e+00 -7.8259000000e-01  4.6958500000e-01 -2.0460890000e+00
+ENERGY -1.526522081010e+02
+FORCES  4.6100000000e-05  1.8776000000e-03 -5.8210000000e-03 -8.3710000000e-04 -3.5044000000e-03  3.7758000000e-03 -2.3630000000e-04  1.8693000000e-03 -3.9460000000e-04 -4.6909000000e-03 -1.5506000000e-03 -1.2220000000e-03  2.0148000000e-03  2.9793000000e-03  1.0756000000e-03  3.7032000000e-03 -1.6712000000e-03  2.5862000000e-03
+
+JOB 41
+COORDS  1.4984640000e+00 -6.1521300000e-01  3.0130600000e-01  7.7986200000e-01 -1.2470990000e+00  3.2502200000e-01  1.7518860000e+00 -5.7448400000e-01 -6.2083900000e-01 -1.5234440000e+00  6.6462400000e-01 -2.9113600000e-01 -6.0036800000e-01  8.1769300000e-01 -4.9295800000e-01 -1.5163550000e+00  2.7230700000e-01  5.8194500000e-01
+ENERGY -1.526566533437e+02
+FORCES -5.6300000000e-05 -5.0605000000e-03 -3.6846000000e-03  2.5345000000e-03  4.2810000000e-03  6.2340000000e-04 -2.1117000000e-03  1.0971000000e-03  4.2831000000e-03  5.8418000000e-03  5.5920000000e-04  4.5462000000e-03 -5.2580000000e-03 -8.1210000000e-04 -2.0021000000e-03 -9.5030000000e-04 -6.4700000000e-05 -3.7659000000e-03
+
+JOB 42
+COORDS  1.6071890000e+00  3.6015000000e-02  4.1459700000e-01  7.0620500000e-01  2.7426600000e-01  1.9620100000e-01  1.8639210000e+00  6.6275000000e-01  1.0910020000e+00 -1.5346680000e+00 -1.4068300000e-01 -4.0079700000e-01 -2.1197110000e+00  5.3990200000e-01 -6.7989000000e-02 -1.4934710000e+00  1.8333000000e-02 -1.3437970000e+00
+ENERGY -1.526589680232e+02
+FORCES -5.8549000000e-03  1.6939000000e-03  1.3318000000e-03  9.1875000000e-03  1.8569000000e-03  1.0989000000e-03 -1.3587000000e-03 -2.0087000000e-03 -2.4375000000e-03 -6.1878000000e-03  1.2399000000e-03 -3.7199000000e-03  3.7080000000e-03 -2.7919000000e-03 -1.4782000000e-03  5.0600000000e-04  9.8000000000e-06  5.2049000000e-03
+
+JOB 43
+COORDS -6.6335600000e-01  1.4348420000e+00  4.7157200000e-01 -1.4874600000e+00  1.4870520000e+00 -1.2535000000e-02 -8.1538000000e-01  7.5883200000e-01  1.1319740000e+00  7.3376200000e-01 -1.3925440000e+00 -5.5135400000e-01  1.3876900000e-01 -1.9969380000e+00 -1.0759300000e-01  1.1175650000e+00 -8.7212000000e-01  1.5439900000e-01
+ENERGY -1.526530370883e+02
+FORCES -4.6169000000e-03 -3.6369000000e-03 -1.8785000000e-03  2.8558000000e-03  4.2040000000e-04  2.7957000000e-03  1.9446000000e-03  2.0278000000e-03 -2.0392000000e-03 -4.1730000000e-04  2.2045000000e-03  4.0943000000e-03  1.7211000000e-03  3.1453000000e-03 -1.3990000000e-03 -1.4874000000e-03 -4.1611000000e-03 -1.5733000000e-03
+
+JOB 44
+COORDS -1.0061020000e+00 -1.2190240000e+00  3.3925800000e-01 -4.2601100000e-01 -1.9143930000e+00  6.4940000000e-01 -1.8815780000e+00 -1.5005970000e+00  6.0476000000e-01  1.0070200000e+00  1.3283510000e+00 -3.9779100000e-01  8.5505300000e-01  4.4441000000e-01 -7.3213800000e-01  1.4991460000e+00  1.1970770000e+00  4.1264700000e-01
+ENERGY -1.526553388620e+02
+FORCES -3.6605000000e-03 -3.6101000000e-03  2.9412000000e-03 -1.4552000000e-03  3.9111000000e-03 -1.8919000000e-03  3.9864000000e-03  7.2090000000e-04 -8.1450000000e-04 -1.9833000000e-03 -5.8891000000e-03  2.8121000000e-03  4.0619000000e-03  4.1518000000e-03 -5.2000000000e-06 -9.4940000000e-04  7.1550000000e-04 -3.0417000000e-03
+
+JOB 45
+COORDS  4.1926600000e-01 -1.6170770000e+00 -5.6765600000e-01  6.0664900000e-01 -8.0129700000e-01 -1.0320080000e+00  3.1606300000e-01 -1.3543410000e+00  3.4697600000e-01 -4.4684500000e-01  1.4911160000e+00  5.4135000000e-01 -8.6851200000e-01  2.2791480000e+00  1.9866400000e-01  3.8500600000e-01  1.8005970000e+00  8.9978700000e-01
+ENERGY -1.526568994502e+02
+FORCES -2.1062000000e-03  7.1234000000e-03  2.5661000000e-03  1.2778000000e-03 -4.4721000000e-03  1.2100000000e-04  2.1112000000e-03 -3.1012000000e-03 -2.6909000000e-03 -2.1040000000e-04  6.1820000000e-03  5.7930000000e-04  2.3207000000e-03 -3.2412000000e-03  1.5282000000e-03 -3.3930000000e-03 -2.4909000000e-03 -2.1036000000e-03
+
+JOB 46
+COORDS -1.3451630000e+00  1.3023000000e-02 -9.6999900000e-01 -1.8118790000e+00 -4.0810200000e-01 -1.6918450000e+00 -1.1644580000e+00  8.9857700000e-01 -1.2852340000e+00  1.3956630000e+00  1.6670000000e-02  1.0313070000e+00  1.3795340000e+00 -6.4098800000e-01  3.3599600000e-01  8.0840600000e-01 -3.2986500000e-01  1.7030770000e+00
+ENERGY -1.526562029811e+02
+FORCES -1.3076000000e-03  3.7772000000e-03 -3.9068000000e-03  2.4798000000e-03  1.4728000000e-03  3.2042000000e-03 -1.6342000000e-03 -4.1145000000e-03  4.2670000000e-04 -5.4217000000e-03 -4.4839000000e-03 -1.5863000000e-03  2.5655000000e-03  2.0731000000e-03  3.2405000000e-03  3.3182000000e-03  1.2753000000e-03 -1.3782000000e-03
+
+JOB 47
+COORDS -8.7075200000e-01  1.4137760000e+00 -6.7317300000e-01 -4.2365000000e-02  1.0278230000e+00 -3.8848400000e-01 -1.5401150000e+00  9.2695200000e-01 -1.9235300000e-01  8.7825400000e-01 -1.3058240000e+00  6.2247500000e-01  6.2730000000e-03 -1.6199240000e+00  8.6168800000e-01  1.4064790000e+00 -2.1002630000e+00  5.4452600000e-01
+ENERGY -1.526571161935e+02
+FORCES  2.5731000000e-03 -4.6228000000e-03  3.3347000000e-03 -5.1375000000e-03  4.2121000000e-03 -1.8523000000e-03  1.8550000000e-03  1.4446000000e-03 -1.6445000000e-03  6.0400000000e-05 -6.5302000000e-03  7.0530000000e-04  3.2899000000e-03  2.4295000000e-03 -1.2700000000e-03 -2.6409000000e-03  3.0668000000e-03  7.2690000000e-04
+
+JOB 48
+COORDS -7.7703100000e-01  1.4367610000e+00  6.0937200000e-01 -8.2530000000e-01  1.7755740000e+00  1.5033010000e+00  9.6111000000e-02  1.0496270000e+00  5.4627500000e-01  7.5646100000e-01 -1.4655100000e+00 -7.0443600000e-01  1.1755300000e+00 -9.1324100000e-01 -4.4427000000e-02 -1.7550400000e-01 -1.4321450000e+00 -4.8865800000e-01
+ENERGY -1.526534370233e+02
+FORCES  3.2323000000e-03  1.9121000000e-03  3.2336000000e-03  4.2060000000e-04 -1.8399000000e-03 -4.1110000000e-03 -3.2836000000e-03 -8.4550000000e-04  1.1063000000e-03 -3.3632000000e-03  1.1533000000e-03  3.1514000000e-03 -2.3514000000e-03  3.5170000000e-04 -2.4375000000e-03  5.3454000000e-03 -7.3170000000e-04 -9.4280000000e-04
+
+JOB 49
+COORDS -1.8354000000e-01 -1.0741400000e+00 -1.3961600000e+00 -8.8489600000e-01 -1.7245810000e+00 -1.4316290000e+00 -5.0974400000e-01 -4.0185500000e-01 -7.9795000000e-01  1.9669600000e-01  1.0476500000e+00  1.3239860000e+00  1.1490030000e+00  9.7536500000e-01  1.3881650000e+00 -5.4332000000e-02  1.5853060000e+00  2.0750810000e+00
+ENERGY -1.526585544561e+02
+FORCES -4.0072000000e-03  1.3932000000e-03  3.8589000000e-03  2.4803000000e-03  2.3367000000e-03  3.5600000000e-05  6.3150000000e-04 -4.8189000000e-03 -5.6675000000e-03  3.7649000000e-03  2.4363000000e-03  4.3438000000e-03 -4.3360000000e-03  9.3700000000e-04  3.3710000000e-04  1.4665000000e-03 -2.2843000000e-03 -2.9079000000e-03
+
+JOB 50
+COORDS  9.6248300000e-01  1.5215010000e+00 -2.3855500000e-01  1.6549770000e+00  1.2262550000e+00 -8.2975300000e-01  1.9049000000e-01  1.6085490000e+00 -7.9773400000e-01 -1.0262030000e+00 -1.5065660000e+00  2.8153400000e-01 -6.4455400000e-01 -1.8434630000e+00  1.0921360000e+00 -2.7494100000e-01 -1.2109080000e+00 -2.3268700000e-01
+ENERGY -1.526553644165e+02
+FORCES -7.4420000000e-04  2.0018000000e-03 -4.4648000000e-03 -3.5545000000e-03 -8.8500000000e-05  2.8811000000e-03  4.1964000000e-03 -1.1845000000e-03  2.0820000000e-03  5.7417000000e-03  1.3245000000e-03  2.5546000000e-03 -1.8182000000e-03  4.7010000000e-04 -3.2819000000e-03 -3.8211000000e-03 -2.5234000000e-03  2.2890000000e-04
+
+JOB 51
+COORDS  1.5916930000e+00  1.9999700000e-01  8.2445500000e-01  8.0229300000e-01 -1.5680900000e-01  1.2316020000e+00  2.3022250000e+00 -3.4814500000e-01  1.1574970000e+00 -1.5198590000e+00 -1.7466200000e-01 -8.4254400000e-01 -2.0717040000e+00  4.8311100000e-01 -4.1942100000e-01 -2.0249520000e+00 -4.5721100000e-01 -1.6049610000e+00
+ENERGY -1.526543793594e+02
+FORCES -1.9009000000e-03 -4.4298000000e-03  1.6990000000e-03  4.3100000000e-03  2.2255000000e-03  5.2410000000e-04 -2.6926000000e-03  2.1805000000e-03 -1.4433000000e-03 -4.0700000000e-03  2.0380000000e-03 -2.9393000000e-03  2.4302000000e-03 -3.2472000000e-03 -1.0725000000e-03  1.9233000000e-03  1.2329000000e-03  3.2321000000e-03
+
+JOB 52
+COORDS -1.7143080000e+00  4.1217800000e-01 -6.1866700000e-01 -1.3459850000e+00  1.2333500000e+00 -9.4462300000e-01 -9.5451000000e-01 -9.4636000000e-02 -3.3217200000e-01  1.6970590000e+00 -3.9278900000e-01  6.0193200000e-01  1.2092560000e+00 -3.2871600000e-01  1.4230130000e+00  1.3479420000e+00 -1.1755990000e+00  1.7583700000e-01
+ENERGY -1.526554467828e+02
+FORCES  6.0612000000e-03  2.4891000000e-03 -5.9050000000e-04 -2.4829000000e-03 -3.1149000000e-03  1.1159000000e-03 -4.4233000000e-03 -2.3610000000e-04 -5.2560000000e-04 -2.0630000000e-04 -4.0741000000e-03  3.4772000000e-03  1.4304000000e-03 -1.3470000000e-04 -4.9300000000e-03 -3.7900000000e-04  5.0707000000e-03  1.4530000000e-03
+
+JOB 53
+COORDS -9.8476900000e-01 -1.5072350000e+00 -5.7954700000e-01 -4.4386700000e-01 -2.2173790000e+00 -9.2502100000e-01 -1.2082430000e+00 -9.8062300000e-01 -1.3469910000e+00  9.9075800000e-01  1.4780860000e+00  6.0460900000e-01  1.2474520000e+00  1.7261440000e+00  1.4927570000e+00  2.3539700000e-01  2.0326580000e+00  4.0938800000e-01
+ENERGY -1.526531547860e+02
+FORCES  2.9694000000e-03  3.9200000000e-05 -4.2623000000e-03 -2.6012000000e-03  2.3864000000e-03  1.2887000000e-03  1.1830000000e-04 -2.0369000000e-03  2.9709000000e-03 -2.9817000000e-03  2.1625000000e-03  3.4170000000e-03 -7.5660000000e-04 -8.2380000000e-04 -3.6498000000e-03  3.2518000000e-03 -1.7275000000e-03  2.3550000000e-04
+
+JOB 54
+COORDS -1.4582120000e+00 -1.0704510000e+00 -3.7100800000e-01 -1.7044300000e+00 -1.8721860000e+00 -8.3234300000e-01 -2.1474290000e+00 -9.4792100000e-01  2.8183000000e-01  1.5025110000e+00  1.0415860000e+00  3.7063500000e-01  1.9775490000e+00  1.6556970000e+00  9.3049100000e-01  1.2106830000e+00  1.5703020000e+00 -3.7201400000e-01
+ENERGY -1.526531806770e+02
+FORCES -3.2900000000e-03 -3.0040000000e-03  1.7077000000e-03  1.0623000000e-03  3.4431000000e-03  1.7647000000e-03  2.4488000000e-03 -4.9300000000e-04 -2.9783000000e-03 -1.3310000000e-04  4.1978000000e-03 -1.6748000000e-03 -2.1296000000e-03 -2.7499000000e-03 -2.0526000000e-03  2.0417000000e-03 -1.3941000000e-03  3.2332000000e-03
+
+JOB 55
+COORDS  1.6995590000e+00  7.2056700000e-01 -5.6906200000e-01  2.2589170000e+00  1.2068560000e+00 -1.1747640000e+00  1.1145180000e+00  2.1658200000e-01 -1.1347100000e+00 -1.6874460000e+00 -6.6166400000e-01  5.9479500000e-01 -1.3291860000e+00 -1.5150230000e+00  3.5054000000e-01 -2.2453480000e+00 -8.4317600000e-01  1.3511220000e+00
+ENERGY -1.526537963071e+02
+FORCES -1.4366000000e-03  3.1480000000e-04 -4.5869000000e-03 -2.2278000000e-03 -1.9326000000e-03  2.5914000000e-03  3.6217000000e-03  1.1824000000e-03  1.6847000000e-03 -7.0590000000e-04 -3.8959000000e-03  3.4908000000e-03 -1.3115000000e-03  3.7562000000e-03  4.8800000000e-05  2.0602000000e-03  5.7510000000e-04 -3.2288000000e-03
+
+JOB 56
+COORDS  6.3038600000e-01 -1.7522830000e+00 -5.9279600000e-01  3.2634300000e-01 -2.0158970000e+00  2.7570700000e-01 -5.8361000000e-02 -2.0479440000e+00 -1.1881480000e+00 -5.1784600000e-01  1.7792620000e+00  5.6998600000e-01 -1.0688720000e+00  2.4425940000e+00  9.8543000000e-01 -1.1307620000e+00  1.0999360000e+00  2.8877100000e-01
+ENERGY -1.526534601313e+02
+FORCES -2.6692000000e-03 -2.8013000000e-03  1.2834000000e-03  6.2370000000e-04  1.1429000000e-03 -3.9641000000e-03  2.4476000000e-03  1.8409000000e-03  2.7514000000e-03 -4.3011000000e-03 -4.1410000000e-04 -2.1750000000e-04  2.4056000000e-03 -2.8973000000e-03 -1.6991000000e-03  1.4934000000e-03  3.1289000000e-03  1.8459000000e-03
+
+JOB 57
+COORDS -9.7445400000e-01  1.4010280000e+00  1.1850290000e+00 -4.9983100000e-01  1.9389190000e+00  5.5128000000e-01 -1.1288250000e+00  5.7345000000e-01  7.2948900000e-01  8.8889800000e-01 -1.3589180000e+00 -1.1256420000e+00  1.3304910000e+00 -1.9782780000e+00 -1.7066930000e+00  1.5493570000e+00 -1.1309130000e+00 -4.7139400000e-01
+ENERGY -1.526564719198e+02
+FORCES  7.2000000000e-04 -1.7188000000e-03 -5.4382000000e-03 -1.5376000000e-03 -1.6806000000e-03  3.0552000000e-03  3.9310000000e-04  4.1273000000e-03  3.1496000000e-03  5.1106000000e-03 -2.6825000000e-03 -2.9270000000e-04 -1.5533000000e-03  2.6305000000e-03  2.5351000000e-03 -3.1329000000e-03 -6.7600000000e-04 -3.0090000000e-03
+
+JOB 58
+COORDS -2.1898900000e-01 -1.4272370000e+00 -1.4768220000e+00 -3.4755000000e-01 -1.3352320000e+00 -5.3276800000e-01  7.3105000000e-01 -1.4101690000e+00 -1.5924380000e+00  1.5071100000e-01  1.4109200000e+00  1.3745330000e+00  3.3585000000e-02  9.0392900000e-01  2.1779470000e+00  7.3596100000e-01  2.1257440000e+00  1.6250170000e+00
+ENERGY -1.526548368866e+02
+FORCES  3.4171000000e-03  2.4143000000e-03  4.0757000000e-03  1.4690000000e-04 -2.3505000000e-03 -3.7790000000e-03 -3.5399000000e-03 -7.7700000000e-04  9.3000000000e-06  1.8353000000e-03  2.5170000000e-03  4.5771000000e-03  5.8630000000e-04  1.3288000000e-03 -4.0062000000e-03 -2.4456000000e-03 -3.1326000000e-03 -8.7680000000e-04
+
+JOB 59
+COORDS  1.1985000000e+00 -1.5444550000e+00  6.4429600000e-01  8.7415700000e-01 -6.6846200000e-01  4.3532300000e-01  1.8254010000e+00 -1.4052440000e+00  1.3541180000e+00 -1.2255470000e+00  1.4172630000e+00 -6.4695100000e-01 -1.7894190000e+00  2.1836770000e+00 -5.4259800000e-01 -4.9225600000e-01  1.7292380000e+00 -1.1772230000e+00
+ENERGY -1.526554915408e+02
+FORCES -2.6060000000e-04  4.4935000000e-03  2.1511000000e-03  3.6725000000e-03 -4.1774000000e-03  6.2220000000e-04 -2.3092000000e-03 -5.5190000000e-04 -2.8558000000e-03 -1.1826000000e-03  5.2264000000e-03 -2.4367000000e-03  2.5160000000e-03 -3.0986000000e-03 -7.0660000000e-04 -2.4361000000e-03 -1.8921000000e-03  3.2258000000e-03
+
+JOB 60
+COORDS -7.7710000000e-03 -1.7070810000e+00  1.1304470000e+00  4.9916000000e-02 -1.1368660000e+00  1.8971010000e+00  1.0641800000e-01 -2.5909710000e+00  1.4796330000e+00  2.7842000000e-02  1.7324560000e+00 -1.2642040000e+00  4.5535600000e-01  1.4753650000e+00 -4.4727800000e-01 -8.9138100000e-01  1.8534790000e+00 -1.0262640000e+00
+ENERGY -1.526541296221e+02
+FORCES  7.4940000000e-04 -2.6722000000e-03  4.5643000000e-03 -1.8790000000e-04 -1.4781000000e-03 -3.7608000000e-03 -5.5700000000e-04  3.7901000000e-03 -1.3039000000e-03 -2.1092000000e-03 -2.2646000000e-03  4.2859000000e-03 -1.5442000000e-03  2.4208000000e-03 -2.8610000000e-03  3.6489000000e-03  2.0410000000e-04 -9.2450000000e-04
+
+JOB 61
+COORDS -1.8830600000e+00 -6.6374500000e-01  7.8968700000e-01 -2.2734930000e+00 -1.5322760000e+00  6.9249100000e-01 -2.0407440000e+00 -2.3428100000e-01 -5.1103000000e-02  1.9004680000e+00  7.4720000000e-01 -7.6639800000e-01  1.2668540000e+00  9.7641000000e-02 -4.6170400000e-01  2.7526690000e+00  3.7895700000e-01 -5.3319500000e-01
+ENERGY -1.526555432401e+02
+FORCES -4.0190000000e-03 -1.5075000000e-03 -3.3027000000e-03  1.9140000000e-03  3.6625000000e-03  3.2430000000e-04  1.5037000000e-03 -2.3243000000e-03  3.5703000000e-03  6.6440000000e-04 -4.1967000000e-03  3.1884000000e-03  3.1902000000e-03  2.9213000000e-03 -2.6779000000e-03 -3.2532000000e-03  1.4448000000e-03 -1.1025000000e-03
+
+JOB 62
+COORDS  7.0382000000e-01  2.0837120000e+00 -2.5855400000e-01  1.1210700000e-01  1.8504070000e+00 -9.7386900000e-01  1.4705100000e-01  2.5349450000e+00  3.7597600000e-01 -6.4294100000e-01 -2.0351740000e+00  2.3063500000e-01 -2.9237400000e-01 -2.2684150000e+00  1.0902480000e+00 -9.9034600000e-01 -2.8562700000e+00 -1.1770800000e-01
+ENERGY -1.526543721276e+02
+FORCES -5.1775000000e-03 -4.3410000000e-04 -4.4260000000e-04  2.5431000000e-03  2.0472000000e-03  2.5156000000e-03  2.3916000000e-03 -1.4566000000e-03 -2.3671000000e-03  7.5220000000e-04 -4.2806000000e-03  2.4326000000e-03 -1.8470000000e-03  6.2930000000e-04 -3.4562000000e-03  1.3377000000e-03  3.4948000000e-03  1.3176000000e-03
+
+JOB 63
+COORDS  5.8217700000e-01  2.1153580000e+00 -7.2307800000e-01  1.0033950000e+00  1.3776600000e+00 -1.1642220000e+00  6.2776800000e-01  1.8962450000e+00  2.0759000000e-01 -5.6330200000e-01 -2.0440080000e+00  7.3724200000e-01 -1.3200900000e+00 -1.4933080000e+00  5.3665800000e-01 -6.6338300000e-01 -2.8063410000e+00  1.6709900000e-01
+ENERGY -1.526554591260e+02
+FORCES  2.5650000000e-03 -4.2778000000e-03  2.3525000000e-03 -1.8829000000e-03  3.3734000000e-03  1.2685000000e-03 -5.9730000000e-04  1.4330000000e-03 -3.8636000000e-03 -4.1397000000e-03 -1.5353000000e-03 -2.9546000000e-03  3.5619000000e-03 -2.2348000000e-03  9.2110000000e-04  4.9300000000e-04  3.2415000000e-03  2.2761000000e-03
+
+JOB 64
+COORDS -1.4172650000e+00 -1.7578080000e+00 -5.2731000000e-02 -1.5782820000e+00 -2.4416710000e+00 -7.0283600000e-01 -9.6735600000e-01 -2.2076760000e+00  6.6241500000e-01  1.4207080000e+00  1.8237680000e+00 -9.5200000000e-03  8.0896000000e-01  2.4504550000e+00  3.7682100000e-01  1.6493510000e+00  1.2363340000e+00  7.1081100000e-01
+ENERGY -1.526536701763e+02
+FORCES  1.3081000000e-03 -4.6424000000e-03 -4.2340000000e-04  5.2340000000e-04  2.6827000000e-03  2.8353000000e-03 -1.7088000000e-03  2.1087000000e-03 -2.6409000000e-03 -2.6176000000e-03 -4.8230000000e-04  4.2545000000e-03  2.8545000000e-03 -2.1427000000e-03 -1.4174000000e-03 -3.5960000000e-04  2.4760000000e-03 -2.6081000000e-03
+
+JOB 65
+COORDS  7.5492600000e-01 -1.7873480000e+00  1.2156420000e+00  2.4512400000e-01 -2.3114350000e+00  5.9785000000e-01  1.5307290000e+00 -2.3177920000e+00  1.3972720000e+00 -8.0806000000e-01  1.8039230000e+00 -1.2187790000e+00 -8.7543700000e-01  2.1323940000e+00 -3.2223100000e-01 -1.1081200000e-01  2.3270560000e+00 -1.6142650000e+00
+ENERGY -1.526544680100e+02
+FORCES  7.3310000000e-04 -4.1898000000e-03 -2.4126000000e-03  2.2724000000e-03  1.6664000000e-03  2.9522000000e-03 -3.0664000000e-03  2.2254000000e-03 -6.8540000000e-04  3.0630000000e-03  3.0033000000e-03  2.7722000000e-03 -1.0430000000e-04 -7.5760000000e-04 -3.9751000000e-03 -2.8978000000e-03 -1.9477000000e-03  1.3487000000e-03
+
+JOB 66
+COORDS -1.2644340000e+00 -1.1597090000e+00  1.6689000000e+00 -1.8393800000e+00 -1.9201390000e+00  1.7550120000e+00 -1.5396600000e+00 -7.4194100000e-01  8.5284100000e-01  1.2755440000e+00  1.2262810000e+00 -1.6035850000e+00  1.3736080000e+00  9.2240500000e-01 -2.5059570000e+00  1.8902170000e+00  6.9081800000e-01 -1.1018990000e+00
+ENERGY -1.526549660217e+02
+FORCES -3.5907000000e-03 -8.0040000000e-04 -3.1302000000e-03  2.3777000000e-03  2.9946000000e-03 -3.8780000000e-04  8.5020000000e-04 -2.3998000000e-03  3.6932000000e-03  3.5559000000e-03 -3.2461000000e-03 -1.3677000000e-03 -6.1490000000e-04  1.1665000000e-03  3.6959000000e-03 -2.5782000000e-03  2.2852000000e-03 -2.5034000000e-03
+
+JOB 67
+COORDS -6.3324300000e-01 -2.0204280000e+00  1.1479410000e+00 -3.7981800000e-01 -2.9272050000e+00  1.3204610000e+00 -4.4889900000e-01 -1.5598320000e+00  1.9665380000e+00  5.9594000000e-01  1.9793530000e+00 -1.2192310000e+00  1.4437140000e+00  2.3813630000e+00 -1.0297600000e+00 -3.0568000000e-02  2.7004780000e+00 -1.1584120000e+00
+ENERGY -1.526532140959e+02
+FORCES  2.0693000000e-03 -1.3405000000e-03  3.7285000000e-03 -1.0628000000e-03  3.6633000000e-03 -7.1650000000e-04 -9.0100000000e-04 -2.0985000000e-03 -3.0466000000e-03  6.7920000000e-04  4.3055000000e-03  9.3690000000e-04 -3.4370000000e-03 -1.6596000000e-03 -6.9530000000e-04  2.6522000000e-03 -2.8702000000e-03 -2.0700000000e-04
+
+JOB 68
+COORDS -3.0916700000e-01 -2.4660100000e+00  1.6919700000e-01 -1.3580100000e-01 -1.5297650000e+00  7.1101000000e-02  1.6546600000e-01 -2.8750740000e+00 -5.5442000000e-01  2.2417900000e-01  2.4734400000e+00 -1.0357100000e-01  6.7325700000e-01  2.5211740000e+00 -9.4753900000e-01  6.8158400000e-01  1.7805690000e+00  3.7281300000e-01
+ENERGY -1.526535100958e+02
+FORCES  2.0010000000e-03  1.9712000000e-03 -3.5929000000e-03  1.4460000000e-04 -3.7293000000e-03  6.8630000000e-04 -1.8230000000e-03  1.8336000000e-03  3.0615000000e-03  3.9948000000e-03 -1.4391000000e-03 -1.2225000000e-03 -1.9779000000e-03 -6.3670000000e-04  3.5980000000e-03 -2.3396000000e-03  2.0004000000e-03 -2.5303000000e-03
+
+JOB 69
+COORDS -4.6067200000e-01 -8.1300400000e-01 -2.4486460000e+00 -1.3145190000e+00 -4.1896100000e-01 -2.6272720000e+00 -6.6421400000e-01 -1.6914650000e+00 -2.1275410000e+00  5.2367100000e-01  7.7672500000e-01  2.4668360000e+00  4.8344800000e-01  9.9044700000e-01  1.5346680000e+00  3.6829700000e-01  1.6102370000e+00  2.9110740000e+00
+ENERGY -1.526548425958e+02
+FORCES -4.3807000000e-03 -2.5670000000e-03  2.3540000000e-04  3.5936000000e-03 -1.3986000000e-03  9.0300000000e-04  7.8690000000e-04  3.7694000000e-03 -1.4163000000e-03 -5.0160000000e-04  4.1796000000e-03 -2.3957000000e-03 -3.6400000000e-05 -6.3550000000e-04  4.4217000000e-03  5.3820000000e-04 -3.3479000000e-03 -1.7482000000e-03
+
+JOB 70
+COORDS  1.2384420000e+00 -3.4581000000e-01 -2.3365960000e+00  2.0554200000e+00  1.5103200000e-01 -2.3804950000e+00  1.2130340000e+00 -6.8741000000e-01 -1.4427870000e+00 -1.2821910000e+00  3.4084500000e-01  2.2266900000e+00 -1.7936980000e+00  8.7333800000e-01  2.8358240000e+00 -8.0876400000e-01 -2.7526500000e-01  2.7857130000e+00
+ENERGY -1.526541852536e+02
+FORCES  2.6318000000e-03  9.7820000000e-04  3.9571000000e-03 -3.1470000000e-03 -2.0747000000e-03  5.0000000000e-05  7.0330000000e-04  9.4910000000e-04 -3.9394000000e-03 -7.3540000000e-04 -8.3200000000e-05  4.8988000000e-03  2.1834000000e-03 -2.2529000000e-03 -2.3990000000e-03 -1.6361000000e-03  2.4835000000e-03 -2.5676000000e-03
+
+JOB 71
+COORDS -2.3275800000e-01 -1.5184570000e+00 -2.6188860000e+00 -1.2273100000e-01 -1.1098050000e+00 -1.7603240000e+00 -8.8000000000e-01 -9.7138900000e-01 -3.0638880000e+00  2.2080700000e-01  1.4976920000e+00  2.6253970000e+00 -2.7380000000e-03  8.1538500000e-01  1.9923750000e+00  1.1778340000e+00  1.5146460000e+00  2.6320460000e+00
+ENERGY -1.526535852469e+02
+FORCES -2.3939000000e-03  3.8977000000e-03  1.2877000000e-03 -2.9570000000e-04 -1.6062000000e-03 -3.0545000000e-03  2.7446000000e-03 -2.2883000000e-03  1.9459000000e-03  3.1909000000e-03 -2.6838000000e-03 -2.0683000000e-03  8.2350000000e-04  2.7819000000e-03  2.0693000000e-03 -4.0694000000e-03 -1.0120000000e-04 -1.8010000000e-04
+
+JOB 72
+COORDS  8.4540700000e-01 -2.0552620000e+00 -2.0464380000e+00  4.2857100000e-01 -2.2143100000e+00 -2.8933040000e+00  1.3567740000e+00 -2.8467450000e+00 -1.8782380000e+00 -8.7836300000e-01  2.1701680000e+00  2.1047230000e+00 -1.3583500000e+00  1.3965700000e+00  1.8091040000e+00  4.2492000000e-02  1.9126930000e+00  2.0604040000e+00
+ENERGY -1.526546651901e+02
+FORCES  4.6380000000e-04 -3.9320000000e-03 -3.0849000000e-03  1.6969000000e-03  5.9810000000e-04  3.5275000000e-03 -2.1233000000e-03  3.2725000000e-03 -5.9450000000e-04  1.9507000000e-03 -4.4275000000e-03 -1.8218000000e-03  1.7035000000e-03  3.2600000000e-03  1.4781000000e-03 -3.6916000000e-03  1.2289000000e-03  4.9560000000e-04
+
+JOB 73
+COORDS -1.6713180000e+00  1.4082330000e+00 -2.1091460000e+00 -1.9341580000e+00  1.7827170000e+00 -2.9499250000e+00 -2.4170180000e+00  8.7072600000e-01 -1.8422190000e+00  1.7797610000e+00 -1.3759280000e+00  2.1164350000e+00  9.4104600000e-01 -9.4203900000e-01  2.2730570000e+00  1.6767920000e+00 -2.2446500000e+00  2.5049600000e+00
+ENERGY -1.526538734632e+02
+FORCES -3.9506000000e-03 -6.6230000000e-04 -2.5780000000e-03  1.0090000000e-03 -1.5301000000e-03  3.4658000000e-03  3.0300000000e-03  2.1848000000e-03 -9.0190000000e-04 -3.9104000000e-03 -1.4920000000e-03  1.9538000000e-03  3.4049000000e-03 -1.9914000000e-03 -3.7020000000e-04  4.1710000000e-04  3.4911000000e-03 -1.5695000000e-03
+
+JOB 74
+COORDS -2.0434210000e+00 -1.2409000000e-01  2.2500350000e+00 -2.9657680000e+00 -3.7239400000e-01  2.3121060000e+00 -1.6370870000e+00 -5.1494700000e-01  3.0235700000e+00  2.0939760000e+00  2.2155200000e-01 -2.2906790000e+00  2.3824720000e+00 -4.5576600000e-01 -2.9024320000e+00  1.3713090000e+00 -1.8161700000e-01 -1.8095980000e+00
+ENERGY -1.526544077026e+02
+FORCES -2.2267000000e-03 -2.3490000000e-03  3.6953000000e-03  3.8197000000e-03  9.3340000000e-04 -3.1210000000e-04 -1.6664000000e-03  1.4905000000e-03 -3.2729000000e-03 -2.0926000000e-03 -4.2579000000e-03 -2.4780000000e-04 -1.1029000000e-03  2.7150000000e-03  2.4325000000e-03  3.2689000000e-03  1.4680000000e-03 -2.2950000000e-03
+
+JOB 75
+COORDS -1.1946600000e-01 -8.0431200000e-01 -3.0343140000e+00  3.8150700000e-01 -1.5169900000e-01 -2.5450750000e+00  4.5055400000e-01 -1.0468340000e+00 -3.7640340000e+00  3.5950000000e-02  7.6083300000e-01  2.9968560000e+00  4.3265200000e-01  2.0802000000e-01  3.6701000000e+00  2.1708600000e-01  1.6558550000e+00  3.2838350000e+00
+ENERGY -1.526540794071e+02
+FORCES  4.2962000000e-03  1.7517000000e-03 -5.3570000000e-04 -1.9192000000e-03 -2.6461000000e-03 -2.4174000000e-03 -2.3118000000e-03  9.5530000000e-04  2.9081000000e-03  2.1379000000e-03  1.2497000000e-03  4.0940000000e-03 -1.5479000000e-03  2.3346000000e-03 -2.7647000000e-03 -6.5530000000e-04 -3.6453000000e-03 -1.2843000000e-03
+
+JOB 76
+COORDS -4.3372400000e-01 -2.1227190000e+00 -3.2078030000e+00 -2.3362600000e-01 -2.4736520000e+00 -2.3400250000e+00 -1.2906140000e+00 -1.7081520000e+00 -3.1072800000e+00  5.2301300000e-01  2.0872970000e+00  3.1213790000e+00 -2.7890600000e-01  1.6740360000e+00  3.4413380000e+00  4.1722600000e-01  3.0142210000e+00  3.3355100000e+00
+ENERGY -1.526540704530e+02
+FORCES -2.5155000000e-03  4.0800000000e-04  4.0683000000e-03 -9.2210000000e-04  1.3130000000e-03 -3.5955000000e-03  3.4051000000e-03 -1.7382000000e-03 -4.5340000000e-04 -3.5948000000e-03  2.2459000000e-03  2.2545000000e-03  3.2380000000e-03  1.5933000000e-03 -1.4031000000e-03  3.8940000000e-04 -3.8220000000e-03 -8.7080000000e-04
+
+JOB 77
+COORDS  6.7921000000e-02 -1.7877740000e+00 -3.6612030000e+00 -8.6820700000e-01 -1.6566870000e+00 -3.8119090000e+00  1.6981500000e-01 -1.7210010000e+00 -2.7117870000e+00 -7.8905000000e-02  1.7851110000e+00  3.6481860000e+00  1.4294400000e-01  1.9266810000e+00  2.7278750000e+00  7.3695200000e-01  1.4840520000e+00  4.0481510000e+00
+ENERGY -1.526540562100e+02
+FORCES -3.5160000000e-03  6.8300000000e-04  3.1894000000e-03  3.8689000000e-03 -4.9670000000e-04  6.3190000000e-04 -3.2360000000e-04 -1.6330000000e-04 -3.8290000000e-03  4.3222000000e-03 -4.8590000000e-04 -1.9728000000e-03 -9.8160000000e-04 -7.1850000000e-04  3.6740000000e-03 -3.3700000000e-03  1.1813000000e-03 -1.6934000000e-03
+
+JOB 78
+COORDS  1.3568830000e+00 -2.9867640000e+00  3.1425660000e+00  1.9941700000e+00 -3.6751300000e+00  2.9521730000e+00  9.4936000000e-01 -3.2578550000e+00  3.9651630000e+00 -1.3571140000e+00  2.9705340000e+00 -3.1909510000e+00 -1.7681350000e+00  3.3952120000e+00 -2.4379950000e+00 -1.1205090000e+00  3.6920140000e+00 -3.7738030000e+00
+ENERGY -1.526539675697e+02
+FORCES  9.2760000000e-04 -3.9282000000e-03  2.4783000000e-03 -2.5892000000e-03  2.8031000000e-03  8.2580000000e-04  1.6615000000e-03  1.1255000000e-03 -3.3302000000e-03 -6.5640000000e-04  4.6089000000e-03  8.2280000000e-04  1.6315000000e-03 -1.6732000000e-03 -3.1374000000e-03 -9.7500000000e-04 -2.9361000000e-03  2.3406000000e-03
+
+JOB 79
+COORDS -3.1823430000e+00  2.0648370000e+00  2.6102710000e+00 -3.5941700000e+00  1.4516680000e+00  3.2190860000e+00 -2.3626860000e+00  2.3133090000e+00  3.0376530000e+00  3.2197960000e+00 -2.0226820000e+00 -2.6738560000e+00  2.9506070000e+00 -2.9410740000e+00 -2.6557880000e+00  2.3980700000e+00 -1.5317890000e+00 -2.6784760000e+00
+ENERGY -1.526541776499e+02
+FORCES  1.6445000000e-03 -1.4028000000e-03  4.3036000000e-03  1.6887000000e-03  2.4677000000e-03 -2.5185000000e-03 -3.3493000000e-03 -1.0517000000e-03 -1.7774000000e-03 -4.5038000000e-03 -1.7044000000e-03  9.7000000000e-06  1.1219000000e-03  3.7224000000e-03 -5.2100000000e-05  3.3980000000e-03 -2.0312000000e-03  3.4600000000e-05
+
+JOB 80
+COORDS -9.7994700000e-01 -4.6235270000e+00  6.7603900000e-01 -5.6189200000e-01 -5.1686850000e+00  9.5070000000e-03 -3.9107900000e-01 -3.8758900000e+00  7.7853100000e-01  9.8926600000e-01  4.6117200000e+00 -6.5125400000e-01  4.6258600000e-01  4.5440080000e+00  1.4514800000e-01  3.4876500000e-01  4.7231310000e+00 -1.3538040000e+00
+ENERGY -1.526541702070e+02
+FORCES  4.1677000000e-03  8.0410000000e-04 -2.3042000000e-03 -1.7276000000e-03  2.2175000000e-03  2.7144000000e-03 -2.4519000000e-03 -3.0370000000e-03 -4.0580000000e-04 -4.7952000000e-03  2.7980000000e-04  3.8660000000e-04  2.1748000000e-03  2.2620000000e-04 -3.2537000000e-03  2.6322000000e-03 -4.9070000000e-04  2.8626000000e-03
+
+JOB 81
+COORDS -2.0587650000e+00 -1.5085460000e+00 -4.0589110000e+00 -2.4941490000e+00 -1.2699630000e+00 -3.2405290000e+00 -1.9605850000e+00 -6.8041600000e-01 -4.5287990000e+00  2.0925590000e+00  1.4138420000e+00  3.9902990000e+00  1.4816550000e+00  1.1741430000e+00  4.6871290000e+00  2.4370950000e+00  2.2664510000e+00  4.2559770000e+00
+ENERGY -1.526540785006e+02
+FORCES -1.2550000000e-03  4.3753000000e-03  1.5196000000e-03  1.6904000000e-03 -9.8670000000e-04 -3.3829000000e-03 -4.4720000000e-04 -3.3790000000e-03  1.8658000000e-03 -1.0094000000e-03  2.4582000000e-03  3.9719000000e-03  2.4576000000e-03  9.9870000000e-04 -2.8708000000e-03 -1.4365000000e-03 -3.4665000000e-03 -1.1035000000e-03
+
+JOB 82
+COORDS -2.8399960000e+00  3.9170200000e-01 -4.1163720000e+00 -3.7558320000e+00  1.5331700000e-01 -3.9726740000e+00 -2.4096510000e+00 -4.3330500000e-01 -4.3408670000e+00  2.8449730000e+00 -3.6373700000e-01  4.0580360000e+00  3.5410920000e+00  2.8395200000e-01  4.1682570000e+00  2.4658800000e+00 -4.5964800000e-01  4.9317180000e+00
+ENERGY -1.526540523716e+02
+FORCES -1.9055000000e-03 -4.3740000000e-03 -2.2920000000e-04  3.7028000000e-03  9.8940000000e-04 -6.1760000000e-04 -1.7955000000e-03  3.3717000000e-03  8.5040000000e-04  1.2715000000e-03  2.3191000000e-03  3.9740000000e-03 -2.8223000000e-03 -2.6687000000e-03 -4.2480000000e-04  1.5490000000e-03  3.6250000000e-04 -3.5527000000e-03
+
+JOB 83
+COORDS  3.5583140000e+00 -3.5980240000e+00 -1.3464890000e+00  3.9003430000e+00 -4.3781100000e+00 -9.0978100000e-01  4.2080410000e+00 -3.3954940000e+00 -2.0195930000e+00 -3.6396370000e+00  3.6253960000e+00  1.4220900000e+00 -3.2829250000e+00  2.9459550000e+00  8.4994600000e-01 -3.5889070000e+00  4.4276810000e+00  9.0247700000e-01
+ENERGY -1.526541447791e+02
+FORCES  4.0693000000e-03 -2.3951000000e-03 -9.2680000000e-04 -1.3945000000e-03  3.1878000000e-03 -1.7988000000e-03 -2.6669000000e-03 -8.0400000000e-04  2.7319000000e-03  1.7246000000e-03  4.2540000000e-04 -4.4587000000e-03 -1.5040000000e-03  2.8229000000e-03  2.3297000000e-03 -2.2850000000e-04 -3.2369000000e-03  2.1228000000e-03
+
+JOB 84
+COORDS  4.8850320000e+00  1.7563100000e+00 -1.3600170000e+00  5.0291740000e+00  1.3481630000e+00 -2.2137560000e+00  4.5855160000e+00  1.0406300000e+00 -7.9937100000e-01 -4.9308220000e+00 -1.6695790000e+00  1.4087030000e+00 -4.8877690000e+00 -2.1331620000e+00  5.7236000000e-01 -4.0284350000e+00 -1.6662000000e+00  1.7279500000e+00
+ENERGY -1.526539915811e+02
+FORCES -5.6960000000e-04 -4.5476000000e-03 -1.2089000000e-03 -6.1860000000e-04  1.6472000000e-03  3.4999000000e-03  1.1750000000e-03  2.9013000000e-03 -2.2876000000e-03  3.8245000000e-03 -1.8426000000e-03 -2.1008000000e-03 -1.5060000000e-04  1.8804000000e-03  3.4149000000e-03 -3.6608000000e-03 -3.8800000000e-05 -1.3175000000e-03
+
+JOB 85
+COORDS  1.0468860000e+00 -5.6606500000e+00  2.4641290000e+00  8.8835700000e-01 -6.4504320000e+00  2.9811830000e+00  1.9752250000e+00 -5.7059460000e+00  2.2352910000e+00 -1.0802060000e+00  5.7692180000e+00 -2.5119450000e+00 -1.4000790000e+00  4.9595440000e+00 -2.9098650000e+00 -9.9528300000e-01  5.5620140000e+00 -1.5813070000e+00
+ENERGY -1.526541487544e+02
+FORCES  3.1482000000e-03 -3.4412000000e-03  1.1886000000e-03  6.4460000000e-04  3.2294000000e-03 -2.1114000000e-03 -3.7922000000e-03  2.0320000000e-04  9.2660000000e-04 -9.6360000000e-04 -4.1844000000e-03  2.1907000000e-03  1.3040000000e-03  3.3206000000e-03  1.6026000000e-03 -3.4100000000e-04  8.7230000000e-04 -3.7971000000e-03
+
+JOB 86
+COORDS  5.7738700000e+00 -1.4849260000e+00 -4.1578310000e+00  5.6493740000e+00 -5.4064000000e-01 -4.0626620000e+00  5.5390060000e+00 -1.8453390000e+00 -3.3027440000e+00 -5.7290060000e+00  1.4019230000e+00  4.1352170000e+00 -6.2778650000e+00  1.5298270000e+00  3.3615070000e+00 -5.6738550000e+00  2.2692530000e+00  4.5363760000e+00
+ENERGY -1.526540954160e+02
+FORCES -1.4763000000e-03  2.3690000000e-03  3.8930000000e-03  5.1190000000e-04 -3.8429000000e-03 -3.9870000000e-04  9.6660000000e-04  1.4753000000e-03 -3.4962000000e-03 -2.0508000000e-03  4.0547000000e-03 -1.5057000000e-03  2.2561000000e-03 -5.1860000000e-04  3.1512000000e-03 -2.0750000000e-04 -3.5374000000e-03 -1.6436000000e-03
+
+JOB 87
+COORDS -7.0916610000e+00 -2.5858310000e+00  1.1426200000e-01 -6.8224890000e+00 -2.3789750000e+00 -7.8071800000e-01 -8.0275550000e+00 -2.7746440000e+00  4.5815000000e-02  7.1908180000e+00  2.5798860000e+00 -3.3731000000e-02  6.3793070000e+00  2.2281570000e+00  3.3228700000e-01  6.9209030000e+00  3.0130780000e+00 -8.4349700000e-01
+ENERGY -1.526540852884e+02
+FORCES -2.7451000000e-03  5.5000000000e-05 -3.9228000000e-03 -1.0801000000e-03 -8.3240000000e-04  3.6507000000e-03  3.8244000000e-03  7.7640000000e-04  2.7440000000e-04 -4.4221000000e-03  3.2480000000e-04 -1.7925000000e-03  3.3170000000e-03  1.4400000000e-03 -1.5040000000e-03  1.1059000000e-03 -1.7638000000e-03  3.2941000000e-03
+
+JOB 88
+COORDS  4.5861040000e+00 -6.5040850000e+00 -5.5430100000e-01  4.8139450000e+00 -6.4167120000e+00 -1.4798750000e+00  4.2829850000e+00 -7.4077220000e+00 -4.6603200000e-01 -4.6370440000e+00  6.5263170000e+00  5.8268400000e-01 -3.8663440000e+00  6.7859670000e+00  7.7872000000e-02 -4.4235930000e+00  6.7628880000e+00  1.4852940000e+00
+ENERGY -1.526540852631e+02
+FORCES -3.2140000000e-04 -3.3348000000e-03 -3.4175000000e-03 -9.2220000000e-04 -3.5250000000e-04  3.7763000000e-03  1.2431000000e-03  3.6859000000e-03 -3.5920000000e-04  4.0300000000e-03  2.0040000000e-03  1.6311000000e-03 -3.1507000000e-03 -1.0483000000e-03  2.0525000000e-03 -8.7870000000e-04 -9.5420000000e-04 -3.6832000000e-03
+
+JOB 89
+COORDS  1.7387640000e+00 -6.3761850000e+00 -6.3847300000e+00  1.5930850000e+00 -6.2382350000e+00 -7.3206670000e+00  2.4568880000e+00 -7.0077580000e+00 -6.3441560000e+00 -1.8255170000e+00  6.4210910000e+00  6.4099430000e+00 -1.1510430000e+00  6.9685090000e+00  6.8120000000e+00 -1.4719600000e+00  5.5327240000e+00  6.4550290000e+00
+ENERGY -1.526540764097e+02
+FORCES  2.3269000000e-03 -2.0124000000e-03 -3.6589000000e-03  5.9850000000e-04 -5.6430000000e-04  3.8195000000e-03 -2.9263000000e-03  2.5770000000e-03 -1.6130000000e-04  4.1943000000e-03 -1.4046000000e-03  1.8099000000e-03 -2.7521000000e-03 -2.2268000000e-03 -1.6351000000e-03 -1.4413000000e-03  3.6312000000e-03 -1.7400000000e-04
+
+JOB 0
+COORDS  7.6058700000e-01 -1.0947610000e+00  1.4922800000e-01  2.7703500000e-01 -2.7081000000e-01  2.0850200000e-01  1.0025600000e-01 -1.7717340000e+00  2.9722800000e-01 -6.4719800000e-01  1.0488550000e+00 -1.3054600000e-01 -7.2691700000e-01  2.0015990000e+00 -1.7698300000e-01 -1.4167010000e+00  7.2068500000e-01 -5.9573600000e-01
+ENERGY -1.526562032572e+02
+FORCES -9.3756000000e-03  1.5631500000e-02 -2.6310000000e-04 -2.8380000000e-04 -7.0456000000e-03 -3.8230000000e-04  1.4560000000e-04  3.4764000000e-03 -1.5006000000e-03  7.4756000000e-03 -8.8580000000e-03  1.1880000000e-04 -1.7836000000e-03 -5.0009000000e-03 -1.3763000000e-03  3.8218000000e-03  1.7966000000e-03  3.4035000000e-03
+
+JOB 1
+COORDS -1.4952700000e-01 -1.0798950000e+00 -7.1558000000e-01  5.2877700000e-01 -1.6489200000e+00 -3.5178700000e-01  3.1348400000e-01 -5.2623400000e-01 -1.3443200000e+00  2.7155000000e-02  1.1204340000e+00  7.5484000000e-01 -7.4610000000e-03  2.0803900000e-01  4.6749300000e-01  9.5277600000e-01  1.3564200000e+00  6.9346200000e-01
+ENERGY -1.526552954072e+02
+FORCES  2.8520000000e-03  6.2017000000e-03 -1.0472000000e-03 -3.3709000000e-03  7.1316000000e-03  5.4890000000e-04 -1.1140000000e-03 -2.3499000000e-03  6.5054000000e-03 -1.2209000000e-03 -1.5646700000e-02 -8.1035000000e-03  5.7447000000e-03  7.4503000000e-03  4.0219000000e-03 -2.8909000000e-03 -2.7869000000e-03 -1.9255000000e-03
+
+JOB 2
+COORDS -1.1874620000e+00  2.2108000000e-01  3.1886500000e-01 -1.9694100000e+00 -1.9880200000e-01  6.7731800000e-01 -1.2892090000e+00  1.1467310000e+00  5.4033600000e-01  1.2760890000e+00 -2.3200100000e-01 -3.9215400000e-01  4.2543100000e-01  1.4295100000e-01 -1.6406800000e-01  1.3588570000e+00 -1.0004100000e+00  1.7258500000e-01
+ENERGY -1.526551446321e+02
+FORCES  8.8871000000e-03 -4.6276000000e-03 -2.1081000000e-03  3.1436000000e-03  3.8405000000e-03 -9.0680000000e-04  2.5230000000e-03 -5.9060000000e-03 -1.7621000000e-03 -1.8677100000e-02 -1.2663000000e-03  7.1595000000e-03  3.3966000000e-03  6.8810000000e-03 -8.1160000000e-04  7.2660000000e-04  1.0784000000e-03 -1.5709000000e-03
+
+JOB 3
+COORDS -5.5750900000e-01 -7.1806900000e-01  8.6934700000e-01 -1.2739690000e+00 -8.2486200000e-01  1.4950560000e+00 -2.7599800000e-01 -1.6114180000e+00  6.7208600000e-01  5.7889900000e-01  7.9411900000e-01 -9.6708900000e-01  4.4911000000e-02  2.1898000000e-01 -4.1908900000e-01  1.2229520000e+00  1.1683430000e+00 -3.6593800000e-01
+ENERGY -1.526585301812e+02
+FORCES  1.2883000000e-03  4.5505000000e-03 -5.1681000000e-03  4.5590000000e-03 -1.5372000000e-03 -2.4395000000e-03 -2.1066000000e-03  5.5945000000e-03  6.9980000000e-04 -6.9778000000e-03 -7.0563000000e-03  1.4593400000e-02  4.3521000000e-03 -7.8390000000e-04 -5.9479000000e-03 -1.1150000000e-03 -7.6750000000e-04 -1.7377000000e-03
+
+JOB 4
+COORDS -3.5351000000e-02 -1.2027570000e+00 -5.8765100000e-01 -6.2184500000e-01 -1.5218400000e+00 -1.2735390000e+00  6.4048400000e-01 -7.1445100000e-01 -1.0577960000e+00  5.4095000000e-02  1.2510090000e+00  6.2095900000e-01 -2.1563700000e-01  1.1527080000e+00  1.5340930000e+00 -6.3416000000e-02  3.8036600000e-01  2.4095300000e-01
+ENERGY -1.526588772699e+02
+FORCES -7.6940000000e-04  2.8231000000e-03 -3.0396000000e-03  3.9717000000e-03  1.4297000000e-03  2.8471000000e-03 -7.0248000000e-03  9.0990000000e-04  6.0775000000e-03 -3.7263000000e-03 -1.2955600000e-02 -1.5686000000e-03  3.9140000000e-04 -1.0220000000e-04 -2.7439000000e-03  7.1575000000e-03  7.8952000000e-03 -1.5725000000e-03
+
+JOB 5
+COORDS -5.1236000000e-02 -1.2442030000e+00 -6.1889400000e-01  6.5301400000e-01 -1.4470710000e+00 -1.2346120000e+00 -4.6879000000e-02 -2.8911400000e-01 -5.5551000000e-01  3.2604000000e-02  1.1689360000e+00  5.9637700000e-01 -6.6915400000e-01  1.8103780000e+00  7.0736700000e-01  3.4919600000e-01  1.0035120000e+00  1.4844290000e+00
+ENERGY -1.526600083735e+02
+FORCES  1.1656000000e-03  1.1622700000e-02  3.8198000000e-03 -1.7121000000e-03  2.1543000000e-03  2.6052000000e-03 -2.1610000000e-04 -7.6469000000e-03 -5.9160000000e-03 -6.3620000000e-04 -5.8540000000e-03  2.9847000000e-03  3.2818000000e-03 -3.4518000000e-03  2.5000000000e-06 -1.8831000000e-03  3.1758000000e-03 -3.4962000000e-03
+
+JOB 6
+COORDS  1.0600000000e-03  9.1712700000e-01 -9.1046900000e-01  7.2878300000e-01  1.1633260000e+00 -1.4814660000e+00 -7.0305600000e-01  1.5217010000e+00 -1.1448670000e+00 -2.3970000000e-02 -9.6105200000e-01  1.0202680000e+00  3.4765400000e-01 -3.2461500000e-01  4.0946800000e-01 -1.4515000000e-02 -1.7887820000e+00  5.3963800000e-01
+ENERGY -1.526578662205e+02
+FORCES -4.4557000000e-03 -9.0990000000e-04  3.4915000000e-03 -3.5921000000e-03 -2.2662000000e-03  3.5740000000e-03  4.5611000000e-03 -1.9140000000e-03 -1.0662000000e-03 -6.2920000000e-04  7.8643000000e-03 -1.1663800000e-02  3.8913000000e-03 -5.3329000000e-03  4.6321000000e-03  2.2470000000e-04  2.5586000000e-03  1.0323000000e-03
+
+JOB 7
+COORDS -1.0311200000e+00  6.6709600000e-01  6.1306200000e-01 -3.5703300000e-01  1.3399850000e+00  5.1788700000e-01 -8.9745100000e-01  3.1634600000e-01  1.4935950000e+00  1.0052280000e+00 -6.9265000000e-01 -7.2161000000e-01  1.6100900000e-01 -3.1422800000e-01 -4.7600400000e-01  1.4110000000e+00 -9.3473400000e-01  1.1084200000e-01
+ENERGY -1.526576598877e+02
+FORCES  4.7831000000e-03  8.1050000000e-04  3.4906000000e-03 -2.4380000000e-03 -6.9775000000e-03 -9.5390000000e-04  9.0830000000e-04  1.2325000000e-03 -5.2437000000e-03 -1.0955100000e-02  3.2194000000e-03  8.1958000000e-03  8.9550000000e-03  3.8900000000e-05 -3.6704000000e-03 -1.2534000000e-03  1.6763000000e-03 -1.8184000000e-03
+
+JOB 8
+COORDS  1.2575660000e+00  2.5572800000e-01  3.1210800000e-01  2.0344020000e+00 -1.6417400000e-01  6.8148700000e-01  1.5971140000e+00  8.1967800000e-01 -3.8280100000e-01 -1.3864790000e+00 -2.4644400000e-01 -2.5245600000e-01 -4.6116500000e-01 -1.8625100000e-01 -1.4962000000e-02 -1.3849130000e+00 -6.3454100000e-01 -1.1274470000e+00
+ENERGY -1.526605016987e+02
+FORCES -8.8030000000e-04 -4.2660000000e-04 -1.1009000000e-03 -2.7101000000e-03  3.1360000000e-03 -2.8289000000e-03 -1.0776000000e-03 -3.9870000000e-03  3.3150000000e-03  1.2576900000e-02  8.8500000000e-05  1.7131000000e-03 -8.8559000000e-03 -4.5620000000e-04 -3.3788000000e-03  9.4700000000e-04  1.6453000000e-03  2.2803000000e-03
+
+JOB 9
+COORDS  5.3841000000e-01 -1.1103970000e+00 -5.1885600000e-01  5.0573500000e-01 -1.7808270000e+00  1.6355800000e-01  2.4769900000e-01 -1.5607810000e+00 -1.3118720000e+00 -4.8944400000e-01  1.2312280000e+00  5.3802300000e-01 -1.3505060000e+00  9.3340200000e-01  8.3145700000e-01 -1.4879500000e-01  5.0419200000e-01  1.6862000000e-02
+ENERGY -1.526604244930e+02
+FORCES -1.6881000000e-03 -9.1760000000e-04  2.2391000000e-03 -7.4300000000e-04  2.7042000000e-03 -4.4351000000e-03  8.6680000000e-04  1.7895000000e-03  4.8180000000e-03  2.8121000000e-03 -1.2098800000e-02 -5.4296000000e-03  2.5536000000e-03  1.6410000000e-04 -6.5970000000e-04 -3.8014000000e-03  8.3586000000e-03  3.4674000000e-03
+
+JOB 10
+COORDS  2.7218200000e-01  1.5076400000e-01 -1.3779950000e+00  1.1398780000e+00  4.5677700000e-01 -1.6419860000e+00  3.8547800000e-01 -1.4071600000e-01 -4.7332000000e-01 -2.6440300000e-01 -1.6404600000e-01  1.3138960000e+00 -8.4714500000e-01 -8.0683500000e-01  1.7182060000e+00 -6.8093700000e-01  6.8011600000e-01  1.4874520000e+00
+ENERGY -1.526609576338e+02
+FORCES  6.6600000000e-05 -2.3845000000e-03  1.0356000000e-02 -2.7735000000e-03 -7.8880000000e-04  2.5741000000e-03  3.1926000000e-03  1.9763000000e-03 -9.6057000000e-03 -4.4320000000e-03  1.9780000000e-03 -2.5392000000e-03  2.0928000000e-03  3.7888000000e-03 -1.3365000000e-03  1.8535000000e-03 -4.5698000000e-03  5.5130000000e-04
+
+JOB 11
+COORDS -2.5836400000e-01 -8.6879400000e-01 -1.0400550000e+00 -3.8411100000e-01 -3.3625200000e-01 -1.8254320000e+00  6.5962100000e-01 -1.1374780000e+00 -1.0767300000e+00  2.5604300000e-01  8.5646600000e-01  1.1421020000e+00  1.2215700000e-01  1.5544800000e-01  5.0422900000e-01 -3.8246300000e-01  1.5269950000e+00  8.9934100000e-01
+ENERGY -1.526593344233e+02
+FORCES  2.6411000000e-03  2.7467000000e-03 -3.6360000000e-03  8.2270000000e-04 -2.6082000000e-03  4.1975000000e-03 -5.3901000000e-03  3.6902000000e-03  2.7363000000e-03 -6.7256000000e-03 -6.2878000000e-03 -1.0451700000e-02  6.5416000000e-03  3.6920000000e-03  6.6388000000e-03  2.1104000000e-03 -1.2328000000e-03  5.1520000000e-04
+
+JOB 12
+COORDS  1.6806000000e-01  1.2636550000e+00 -7.3347200000e-01 -2.1013200000e-01  8.8470300000e-01  6.0000000000e-02  6.5724000000e-01  5.4455300000e-01 -1.1332570000e+00 -1.8404000000e-01 -1.1744000000e+00  6.4966300000e-01  4.5990000000e-01 -1.8434850000e+00  8.8182400000e-01 -6.1651700000e-01 -9.6044900000e-01  1.4763560000e+00
+ENERGY -1.526560666507e+02
+FORCES -7.7000000000e-06 -1.3762300000e-02  4.4981000000e-03 -2.2615000000e-03  5.5613000000e-03  1.6188000000e-03  9.0440000000e-04  3.7797000000e-03 -1.8478000000e-03  1.7921000000e-03 -2.6930000000e-04  2.3017000000e-03 -3.1608000000e-03  3.1758000000e-03 -1.4597000000e-03  2.7335000000e-03  1.5147000000e-03 -5.1110000000e-03
+
+JOB 13
+COORDS -2.3098100000e-01 -2.7864000000e-01 -1.3117000000e+00 -1.0157490000e+00  1.8103200000e-01 -1.6101510000e+00  4.5785100000e-01  8.4130000000e-03 -1.9111530000e+00  2.9571100000e-01  2.2240800000e-01  1.3930180000e+00  6.1458000000e-02 -6.0387000000e-02  5.0905800000e-01 -4.7786600000e-01  6.8968200000e-01  1.7084010000e+00
+ENERGY -1.526605845175e+02
+FORCES  1.6901000000e-03  4.0570000000e-03 -7.4050000000e-04  4.2110000000e-03 -1.7265000000e-03  2.0592000000e-03 -4.4700000000e-03 -1.1918000000e-03  2.1471000000e-03 -4.2987000000e-03 -1.8522000000e-03 -1.1820900000e-02  1.0952000000e-03  1.9889000000e-03  1.0323400000e-02  1.7725000000e-03 -1.2754000000e-03 -1.9682000000e-03
+
+JOB 14
+COORDS  8.3187000000e-02 -7.1579000000e-02  1.3584460000e+00  3.1025600000e-01 -1.0005080000e+00  1.4004250000e+00  4.4061800000e-01  2.9953700000e-01  2.1651360000e+00 -1.3803800000e-01  1.6506500000e-01 -1.4289010000e+00  3.9150000000e-03 -1.0169400000e-01 -5.2065000000e-01  7.2205000000e-02 -6.1414900000e-01 -1.9435420000e+00
+ENERGY -1.526574218136e+02
+FORCES  2.2899000000e-03  2.0069000000e-03  2.0080000000e-03 -8.4180000000e-04  5.5058000000e-03 -3.8854000000e-03 -1.9789000000e-03 -3.4508000000e-03 -2.6186000000e-03  1.1822000000e-03 -5.0170000000e-04  8.8943000000e-03 -2.8510000000e-04 -5.3756000000e-03 -8.1459000000e-03 -3.6630000000e-04  1.8155000000e-03  3.7477000000e-03
+
+JOB 15
+COORDS -3.7675000000e-01 -2.2550200000e-01 -1.3997860000e+00 -4.8422000000e-02 -5.2218000000e-02 -5.1751300000e-01 -1.3294750000e+00 -2.0511000000e-01 -1.3096130000e+00  3.9008100000e-01  2.2044100000e-01  1.2870610000e+00  6.6242100000e-01 -5.8142000000e-01  1.7332470000e+00  5.8240700000e-01  9.1979900000e-01  1.9116740000e+00
+ENERGY -1.526613937395e+02
+FORCES  2.0540000000e-04  3.0596000000e-03  1.0907800000e-02 -1.8685000000e-03 -3.6374000000e-03 -8.1975000000e-03  2.5690000000e-03 -1.6880000000e-04 -3.5650000000e-04  1.1345000000e-03  6.9180000000e-04  7.0470000000e-04 -1.3447000000e-03  4.5832000000e-03 -1.7421000000e-03 -6.9570000000e-04 -4.5284000000e-03 -1.3165000000e-03
+
+JOB 16
+COORDS -1.0292230000e+00 -1.0388460000e+00  2.1100300000e-01 -6.7087000000e-01 -1.5142000000e-01  2.2799600000e-01 -1.5986160000e+00 -1.0530450000e+00 -5.5829700000e-01  1.0135800000e+00  9.8858100000e-01 -2.2928600000e-01  9.9918800000e-01  1.7094140000e+00  4.0033700000e-01  1.5042890000e+00  2.9483100000e-01  2.1133400000e-01
+ENERGY -1.526598334734e+02
+FORCES  3.2845000000e-03  7.9670000000e-03 -5.3547000000e-03 -4.6031000000e-03 -6.4658000000e-03  4.4406000000e-03  1.6167000000e-03  7.2100000000e-05  2.6490000000e-03  5.5629000000e-03 -1.3364000000e-03  2.2649000000e-03 -1.8369000000e-03 -4.8389000000e-03 -2.5814000000e-03 -4.0241000000e-03  4.6019000000e-03 -1.4184000000e-03
+
+JOB 17
+COORDS -4.5940700000e-01  8.1846000000e-01  1.0307390000e+00 -6.8233500000e-01  1.7404950000e+00  1.1587460000e+00 -6.8190300000e-01  4.0006400000e-01  1.8624070000e+00  4.6932500000e-01 -8.9602000000e-01 -1.1265080000e+00  1.3207540000e+00 -6.1116700000e-01 -7.9460600000e-01 -1.6130800000e-01 -3.1823600000e-01 -6.9674200000e-01
+ENERGY -1.526604721470e+02
+FORCES -1.2499000000e-03  5.2070000000e-04  3.5258000000e-03  1.1686000000e-03 -4.5672000000e-03 -4.6500000000e-05  9.7930000000e-04  3.0505000000e-03 -3.5688000000e-03 -7.6960000000e-04  7.6696000000e-03  8.3746000000e-03 -1.1390000000e-03 -2.0290000000e-03 -2.1293000000e-03  1.0107000000e-03 -4.6447000000e-03 -6.1558000000e-03
+
+JOB 18
+COORDS  9.1853000000e-02 -2.1318400000e-01  1.4090690000e+00  1.0454860000e+00 -2.6494700000e-01  1.3447630000e+00 -6.8313000000e-02  2.5840400000e-01  2.2264940000e+00 -1.7589500000e-01  2.4329200000e-01 -1.4698450000e+00  1.6368200000e-01 -4.7956800000e-01 -1.9974740000e+00  1.5843800000e-01  7.5081000000e-02 -5.8884600000e-01
+ENERGY -1.526573169266e+02
+FORCES  1.3430000000e-04  3.0909000000e-03  4.8699000000e-03 -5.9616000000e-03  9.9250000000e-04 -3.8732000000e-03  1.7096000000e-03 -3.1185000000e-03 -3.0103000000e-03 -3.2630000000e-04 -3.3937000000e-03  7.1404000000e-03 -5.0440000000e-04  2.3676000000e-03  2.8713000000e-03  4.9483000000e-03  6.1200000000e-05 -7.9981000000e-03
+
+JOB 19
+COORDS  1.8721200000e-01 -8.7233600000e-01 -1.1225740000e+00 -3.5515900000e-01 -1.3591990000e+00 -1.7430820000e+00  4.3356300000e-01 -7.5766000000e-02 -1.5927010000e+00 -1.5459400000e-01  9.2721200000e-01  1.2093110000e+00 -1.8708100000e-01  6.0255500000e-01  3.0943700000e-01 -3.4773100000e-01  1.6013100000e-01  1.7483070000e+00
+ENERGY -1.526577337853e+02
+FORCES -4.3860000000e-04 -7.1360000000e-04 -5.1465000000e-03  3.0956000000e-03  2.3737000000e-03  2.8418000000e-03 -3.7108000000e-03 -2.4963000000e-03  5.8327000000e-03 -4.5410000000e-04 -1.0257200000e-02 -4.4758000000e-03  1.4195000000e-03  7.6980000000e-03  8.2700000000e-04  8.8400000000e-05  3.3954000000e-03  1.2090000000e-04
+
+JOB 20
+COORDS -7.2140400000e-01 -1.1841410000e+00  3.4411400000e-01 -3.1814500000e-01 -1.7633410000e+00 -3.0252500000e-01 -1.5022920000e+00 -1.6554290000e+00  6.3451600000e-01  7.8802200000e-01  1.2102470000e+00 -3.5599800000e-01  4.6475200000e-01  2.1096390000e+00 -4.0912300000e-01  2.0361100000e-01  7.8171600000e-01  2.6934700000e-01
+ENERGY -1.526599534879e+02
+FORCES  5.8500000000e-05 -3.8553000000e-03 -3.3641000000e-03 -3.0267000000e-03  1.0809000000e-03  3.7379000000e-03  3.3128000000e-03  1.7518000000e-03 -1.8515000000e-03 -5.7809000000e-03 -2.5964000000e-03  3.0859000000e-03  4.3330000000e-04 -3.3844000000e-03  5.4040000000e-04  5.0030000000e-03  7.0034000000e-03 -2.1485000000e-03
+
+JOB 21
+COORDS -3.5577200000e-01 -3.6145300000e-01 -1.3995270000e+00 -1.2093130000e+00 -4.2319000000e-01 -1.8283480000e+00 -5.5578800000e-01 -3.7631100000e-01 -4.6357600000e-01  4.4725900000e-01  3.4811100000e-01  1.3080740000e+00  3.1464100000e-01 -1.5355400000e-01  2.1124230000e+00  3.7008000000e-02  1.1950490000e+00  1.4830690000e+00
+ENERGY -1.526582238041e+02
+FORCES -2.3420000000e-04  4.0750000000e-04  6.6567000000e-03  2.9569000000e-03  7.8380000000e-04  2.9558000000e-03 -4.4530000000e-03 -1.9208000000e-03 -8.3885000000e-03  1.1181000000e-03  3.5734000000e-03  4.3526000000e-03 -3.3290000000e-04  2.2022000000e-03 -4.7305000000e-03  9.4500000000e-04 -5.0461000000e-03 -8.4610000000e-04
+
+JOB 22
+COORDS -1.3981750000e+00 -5.7397900000e-01  1.8041800000e-01 -1.8481650000e+00  1.9955900000e-01  5.2009400000e-01 -5.7757500000e-01 -2.3606700000e-01 -1.7827900000e-01  1.4181240000e+00  5.0199600000e-01 -2.3855400000e-01  1.0040040000e+00 -6.5209000000e-02  4.1184100000e-01  1.2318440000e+00  1.3906080000e+00  6.4595000000e-02
+ENERGY -1.526543366195e+02
+FORCES  2.0105000000e-03  6.0310000000e-03 -3.9538000000e-03  2.7269000000e-03 -2.9221000000e-03 -9.5460000000e-04  2.8390000000e-04 -3.6945000000e-03  9.5907000000e-03  9.8740000000e-04  2.1344000000e-03  6.2969000000e-03 -5.4978000000e-03  3.3151000000e-03 -8.9734000000e-03 -5.1080000000e-04 -4.8639000000e-03 -2.0059000000e-03
+
+JOB 23
+COORDS -2.8697300000e-01  4.5460400000e-01 -1.4449480000e+00 -2.0518200000e-01 -2.3264900000e-01 -7.8371700000e-01  2.5953600000e-01  1.1689710000e+00 -1.1174750000e+00  2.2527400000e-01 -4.0393600000e-01  1.3847160000e+00 -1.2355500000e-01 -1.2728730000e+00  1.5834590000e+00  1.1749690000e+00 -5.2313700000e-01  1.3745920000e+00
+ENERGY -1.526579791681e+02
+FORCES  2.2719000000e-03 -3.7500000000e-05  1.1192200000e-02 -5.5650000000e-04 -8.7180000000e-04 -7.6661000000e-03 -6.9890000000e-04 -1.4460000000e-03 -2.8544000000e-03  2.2441000000e-03 -2.9278000000e-03  3.7616000000e-03  1.9077000000e-03  4.3498000000e-03 -2.8479000000e-03 -5.1683000000e-03  9.3330000000e-04 -1.5854000000e-03
+
+JOB 24
+COORDS  1.1657000000e-02  1.2737750000e+00  6.1995000000e-01  2.0835400000e-01  1.7140330000e+00  1.4468210000e+00 -2.5575300000e-01  1.9788260000e+00  3.0352000000e-02  2.3654000000e-02 -1.4134350000e+00 -6.2691500000e-01  2.8098200000e-01 -5.7048000000e-01 -2.5349800000e-01 -7.4307000000e-01 -1.2139270000e+00 -1.1640960000e+00
+ENERGY -1.526601945543e+02
+FORCES -2.6960000000e-04  3.5386000000e-03  2.1506000000e-03 -1.3825000000e-03 -7.2090000000e-04 -4.2631000000e-03  1.0325000000e-03 -3.5320000000e-03  2.8582000000e-03 -2.3442000000e-03  8.8555000000e-03  3.2491000000e-03  6.1340000000e-04 -7.4342000000e-03 -4.8906000000e-03  2.3503000000e-03 -7.0710000000e-04  8.9570000000e-04
+
+JOB 25
+COORDS -1.1486400000e-01  3.2371000000e-02  1.5344250000e+00 -1.6504300000e-01  6.8516000000e-02  5.7922500000e-01  6.0576100000e-01 -5.7145800000e-01  1.7142100000e+00  5.7943000000e-02 -4.7510000000e-03 -1.4295470000e+00  6.1066800000e-01  6.6118400000e-01 -1.8385170000e+00 -1.9207900000e-01 -5.8418000000e-01 -2.1492570000e+00
+ENERGY -1.526615083734e+02
+FORCES  2.2816000000e-03 -2.6038000000e-03 -8.7778000000e-03 -1.7160000000e-04  1.3934000000e-03  9.2461000000e-03 -2.0146000000e-03  1.8119000000e-03 -2.3800000000e-05  3.6080000000e-04 -1.4570000000e-04 -3.9824000000e-03 -2.6092000000e-03 -3.7584000000e-03  1.3027000000e-03  2.1531000000e-03  3.3026000000e-03  2.2351000000e-03
+
+JOB 26
+COORDS -7.1409500000e-01  1.2256500000e+00  5.7909500000e-01 -6.1865000000e-02  1.8109360000e+00  9.6415100000e-01 -2.0117900000e-01  5.1601900000e-01  1.9234900000e-01  6.1932300000e-01 -1.1641340000e+00 -6.0582600000e-01  1.0711660000e+00 -1.2510830000e+00  2.3352500000e-01  6.9316000000e-01 -2.0291980000e+00 -1.0088690000e+00
+ENERGY -1.526583621019e+02
+FORCES  3.9771000000e-03 -3.3243000000e-03 -4.1492000000e-03 -1.6335000000e-03 -3.1759000000e-03 -1.1513000000e-03 -2.2200000000e-04  5.6636000000e-03  7.3295000000e-03  2.8040000000e-04 -5.6828000000e-03 -6.0650000000e-04 -3.4501000000e-03  3.2664000000e-03 -4.0854000000e-03  1.0481000000e-03  3.2530000000e-03  2.6629000000e-03
+
+JOB 27
+COORDS -1.1019910000e+00  9.3421500000e-01 -1.0735300000e-01 -1.7373480000e+00  1.3680210000e+00  4.6217900000e-01 -1.1525370000e+00  1.4151580000e+00 -9.3341000000e-01  1.1960410000e+00 -9.9562300000e-01  8.7575000000e-02  7.6723400000e-01 -1.4137800000e-01  1.3876900000e-01  6.2167400000e-01 -1.5823380000e+00  5.7961100000e-01
+ENERGY -1.526600438896e+02
+FORCES -3.4473000000e-03  3.1655000000e-03 -1.6242000000e-03  2.5088000000e-03 -2.0598000000e-03 -3.1326000000e-03  1.8650000000e-04 -1.7117000000e-03  4.4840000000e-03 -9.0532000000e-03  3.9755000000e-03  1.6792000000e-03  7.0538000000e-03 -4.0167000000e-03 -4.3330000000e-04  2.7513000000e-03  6.4720000000e-04 -9.7320000000e-04
+
+JOB 28
+COORDS -5.9728300000e-01 -8.9917300000e-01 -1.0999030000e+00 -1.8880400000e-01 -1.1068300000e-01 -7.4260800000e-01  8.1139000000e-02 -1.2936110000e+00 -1.6479850000e+00  5.0102500000e-01  8.3961400000e-01  1.0664280000e+00  1.0397110000e+00  5.7629800000e-01  1.8125610000e+00  4.8115800000e-01  1.7956030000e+00  1.1102720000e+00
+ENERGY -1.526591648522e+02
+FORCES  5.4251000000e-03  4.0262000000e-03  3.9830000000e-03 -3.4554000000e-03 -3.4412000000e-03 -7.6034000000e-03 -2.0212000000e-03  1.3056000000e-03  2.1421000000e-03  1.8939000000e-03  2.2670000000e-04  5.1225000000e-03 -2.0540000000e-03  2.6150000000e-03 -2.8337000000e-03  2.1170000000e-04 -4.7323000000e-03 -8.1050000000e-04
+
+JOB 29
+COORDS -1.1156580000e+00 -9.3158600000e-01  2.3641900000e-01 -1.0900810000e+00 -1.5115650000e+00  9.9747200000e-01 -1.5591520000e+00 -1.4430570000e+00 -4.4029500000e-01  1.1673760000e+00  1.0292640000e+00 -2.8465000000e-01  3.5278600000e-01  5.3841600000e-01 -3.9302000000e-01  1.4752000000e+00  7.9321000000e-01  5.9042400000e-01
+ENERGY -1.526600109170e+02
+FORCES -1.4910000000e-03 -4.9051000000e-03  1.3342000000e-03 -4.7350000000e-04  2.1988000000e-03 -3.6335000000e-03  2.2182000000e-03  2.3051000000e-03  3.3524000000e-03 -6.0889000000e-03 -6.3759000000e-03  4.3578000000e-03  5.6227000000e-03  5.5273000000e-03 -3.1150000000e-03  2.1230000000e-04  1.2499000000e-03 -2.2959000000e-03
+
+JOB 30
+COORDS -3.0497600000e-01 -5.4688000000e-02 -1.5502050000e+00 -7.7658400000e-01  7.1429800000e-01 -1.2300850000e+00 -4.3008300000e-01 -7.1420100000e-01 -8.6783900000e-01  2.7310000000e-01  3.6161000000e-02  1.4710760000e+00  9.3244300000e-01  7.2407800000e-01  1.3801480000e+00  5.9272800000e-01 -5.0910100000e-01  2.1899350000e+00
+ENERGY -1.526579218500e+02
+FORCES -1.9101000000e-03  7.1900000000e-05  9.0808000000e-03  1.8660000000e-03 -1.4221000000e-03 -2.6939000000e-03 -6.8820000000e-04  1.3360000000e-04 -6.1199000000e-03  5.2507000000e-03  1.7354000000e-03  1.7388000000e-03 -3.3317000000e-03 -2.5926000000e-03  1.6257000000e-03 -1.1868000000e-03  2.0737000000e-03 -3.6316000000e-03
+
+JOB 31
+COORDS  3.2613100000e-01  1.2690450000e+00 -9.0051800000e-01 -1.8189200000e-01  4.7209900000e-01 -7.4879100000e-01  3.9982800000e-01  1.6747700000e+00 -3.6696000000e-02 -3.0219600000e-01 -1.2024400000e+00  7.9101700000e-01  1.3663800000e-01 -2.0524540000e+00  8.2469300000e-01 -7.3738500000e-01 -1.1232330000e+00  1.6398790000e+00
+ENERGY -1.526591013999e+02
+FORCES -1.7230000000e-03 -6.1960000000e-03  7.1958000000e-03  7.6550000000e-04  5.9941000000e-03 -4.5885000000e-03 -1.8910000000e-04  4.7160000000e-04 -2.8952000000e-03  1.2118000000e-03 -3.7162000000e-03  3.2888000000e-03 -2.4712000000e-03  3.5587000000e-03  6.9810000000e-04  2.4062000000e-03 -1.1220000000e-04 -3.6990000000e-03
+
+JOB 32
+COORDS  8.7562000000e-02  1.3167310000e+00 -6.9046600000e-01 -4.0502900000e-01  1.1533620000e+00 -1.4947650000e+00  1.3039800000e-01  2.2707200000e+00 -6.2486500000e-01 -1.7896000000e-02 -1.3982250000e+00  7.6517900000e-01 -9.5896500000e-01 -1.5504090000e+00  6.7880200000e-01  1.4510500000e-01 -6.0609500000e-01  2.5313200000e-01
+ENERGY -1.526598721082e+02
+FORCES -7.4010000000e-04  5.5172000000e-03 -1.7347000000e-03  1.9381000000e-03  2.6500000000e-05  4.5811000000e-03 -8.7430000000e-04 -3.8998000000e-03 -1.7979000000e-03 -2.1300000000e-03  7.0858000000e-03 -2.7211000000e-03  2.9333000000e-03  1.6310000000e-04 -1.6930000000e-04 -1.1271000000e-03 -8.8928000000e-03  1.8419000000e-03
+
+JOB 33
+COORDS -7.2780100000e-01  1.3551420000e+00 -4.8470800000e-01 -8.7587800000e-01  5.8646100000e-01  6.6141000000e-02  6.3219000000e-02  1.1457030000e+00 -9.8135200000e-01  6.5325500000e-01 -1.3161800000e+00  5.3829600000e-01  7.2734500000e-01 -1.8399860000e+00 -2.5943200000e-01  1.1758470000e+00 -5.3402200000e-01  3.6121300000e-01
+ENERGY -1.526559011400e+02
+FORCES  1.5266000000e-03 -6.8601000000e-03  9.9760000000e-04  2.3870000000e-04  6.3165000000e-03 -2.8659000000e-03 -1.0795000000e-03  4.6170000000e-04  2.5903000000e-03  4.5263000000e-03 -8.7320000000e-04 -3.1829000000e-03 -5.2340000000e-04  3.4764000000e-03  3.4513000000e-03 -4.6887000000e-03 -2.5214000000e-03 -9.9050000000e-04
+
+JOB 34
+COORDS -1.4802620000e+00  5.9179900000e-01  1.5220000000e-01 -5.2927000000e-01  6.5945500000e-01  6.6950000000e-02 -1.7467450000e+00  2.7586000000e-02 -5.7366700000e-01  1.4508280000e+00 -5.0450200000e-01 -8.4776000000e-02  1.9406770000e+00 -9.0640200000e-01 -8.0224200000e-01  8.4796500000e-01 -1.1883990000e+00  2.0689300000e-01
+ENERGY -1.526589913176e+02
+FORCES  5.7114000000e-03 -4.6490000000e-04 -4.4701000000e-03 -7.8890000000e-03 -6.0480000000e-04  2.0953000000e-03  8.1110000000e-04  9.8530000000e-04  3.1463000000e-03  1.9742000000e-03 -5.7311000000e-03 -1.2350000000e-03 -2.7147000000e-03  1.1490000000e-03  3.3938000000e-03  2.1070000000e-03  4.6665000000e-03 -2.9304000000e-03
+
+JOB 35
+COORDS  1.1948800000e-01 -1.4670100000e-01 -1.4966180000e+00  8.1152000000e-02 -9.0780700000e-01 -2.0758240000e+00  7.9782100000e-01  4.1090400000e-01 -1.8776330000e+00 -1.4268900000e-01  2.0970800000e-01  1.5916700000e+00 -8.7126000000e-02  2.1579100000e-01  6.3610400000e-01 -3.5824200000e-01 -6.9607500000e-01  1.8137670000e+00
+ENERGY -1.526607300461e+02
+FORCES  2.4056000000e-03 -1.7765000000e-03 -5.0297000000e-03  7.0580000000e-04  3.7321000000e-03  1.8608000000e-03 -3.2504000000e-03 -2.9489000000e-03  1.7720000000e-03 -5.9000000000e-04 -4.2682000000e-03 -7.3876000000e-03  1.2820000000e-04  2.5614000000e-03  8.8487000000e-03  6.0080000000e-04  2.7001000000e-03 -6.4100000000e-05
+
+JOB 36
+COORDS  1.2823320000e+00 -6.3750400000e-01  8.2079800000e-01  1.1169890000e+00  2.9293900000e-01  6.6858000000e-01  6.7221600000e-01 -1.0883120000e+00  2.3705000000e-01 -1.2615080000e+00  5.9341600000e-01 -8.4223800000e-01 -8.5769000000e-01 -3.4348000000e-02 -2.4300900000e-01 -1.2531270000e+00  1.4220490000e+00 -3.6314700000e-01
+ENERGY -1.526510177886e+02
+FORCES -2.3750000000e-04  1.9653000000e-03 -5.0945000000e-03 -1.8292000000e-03 -4.5119000000e-03  1.7811000000e-03 -2.1566000000e-03  4.7326000000e-03  3.6173000000e-03  5.9200000000e-05  1.5295000000e-03  5.5237000000e-03  3.0715000000e-03  1.4470000000e-04 -3.4149000000e-03  1.0926000000e-03 -3.8601000000e-03 -2.4127000000e-03
+
+JOB 37
+COORDS  1.4513400000e-01 -1.2659880000e+00 -9.3770400000e-01  3.8777000000e-02 -2.0334490000e+00 -1.4997750000e+00  1.7538500000e-01 -1.6214000000e+00 -4.9447000000e-02 -1.0982000000e-01  1.3529790000e+00  8.6003600000e-01 -8.3751100000e-01  7.3599700000e-01  9.3768600000e-01  9.4157000000e-02  1.5983020000e+00  1.7625010000e+00
+ENERGY -1.526530582116e+02
+FORCES  1.3970000000e-03 -4.3898000000e-03  1.3139000000e-03  5.8370000000e-04  3.7266000000e-03  2.4790000000e-03 -1.8727000000e-03  1.3083000000e-03 -3.5099000000e-03 -2.9688000000e-03 -1.3049000000e-03  2.0002000000e-03  3.3476000000e-03  2.3538000000e-03  1.7188000000e-03 -4.8690000000e-04 -1.6941000000e-03 -4.0020000000e-03
+
+JOB 38
+COORDS  1.4967600000e-01  4.2816500000e-01 -1.6767500000e+00 -1.2698400000e-01 -4.5264400000e-01 -1.9294680000e+00  1.6786300000e-01  4.0872500000e-01 -7.1992000000e-01 -1.6239300000e-01 -3.2957700000e-01  1.5990160000e+00 -3.8419300000e-01 -1.2544580000e+00  1.7068690000e+00  5.9007500000e-01 -1.9448800000e-01  2.1750150000e+00
+ENERGY -1.526593599246e+02
+FORCES -1.7982000000e-03 -3.7746000000e-03  5.9260000000e-03  1.0039000000e-03  2.7541000000e-03  2.7570000000e-04  1.4392000000e-03  1.6828000000e-03 -8.2274000000e-03  1.5427000000e-03 -3.9461000000e-03  5.6638000000e-03  1.2997000000e-03  4.1498000000e-03 -7.5750000000e-04 -3.4872000000e-03 -8.6600000000e-04 -2.8806000000e-03
+
+JOB 39
+COORDS -6.4945100000e-01  1.2671750000e+00 -1.0286920000e+00 -2.2894200000e-01  1.4583850000e+00 -1.9033400000e-01 -3.4852000000e-02  6.8759200000e-01 -1.4787840000e+00  5.5241400000e-01 -1.2487170000e+00  1.0624100000e+00  8.7224900000e-01 -2.0240550000e+00  6.0112100000e-01  9.5977900000e-01 -5.1269400000e-01  6.0573100000e-01
+ENERGY -1.526515621923e+02
+FORCES  2.3792000000e-03 -2.1907000000e-03  2.1825000000e-03  1.2890000000e-04 -1.5636000000e-03 -4.0676000000e-03 -1.4041000000e-03  2.4523000000e-03  2.7088000000e-03  2.3695000000e-03 -1.1664000000e-03 -3.8169000000e-03 -1.3511000000e-03  3.6344000000e-03  1.8283000000e-03 -2.1223000000e-03 -1.1661000000e-03  1.1650000000e-03
+
+JOB 40
+COORDS -9.9269300000e-01 -7.0607200000e-01  1.2517770000e+00 -5.3335300000e-01 -2.4814600000e-01  1.9557240000e+00 -1.4967270000e+00 -2.2781000000e-02  8.0985500000e-01  1.0517880000e+00  6.0957200000e-01 -1.2932550000e+00  8.4499600000e-01  1.5409830000e+00 -1.2161670000e+00  3.0008000000e-01  1.6373600000e-01 -9.0287300000e-01
+ENERGY -1.526553857093e+02
+FORCES -9.1320000000e-04  3.7818000000e-03  4.6058000000e-03 -2.6444000000e-03 -1.8635000000e-03 -3.4199000000e-03  4.4279000000e-03 -2.9308000000e-03 -2.1840000000e-04 -3.6922000000e-03  1.5000000000e-06  2.6019000000e-03  3.2710000000e-04 -3.7996000000e-03  2.8190000000e-04  2.4948000000e-03  4.8106000000e-03 -3.8513000000e-03
+
+JOB 41
+COORDS -1.3515410000e+00 -1.0577920000e+00 -9.3643000000e-02 -1.9679270000e+00 -6.2227800000e-01 -6.8239400000e-01 -9.1999100000e-01 -1.7140620000e+00 -6.4073200000e-01  1.3482010000e+00  1.1308150000e+00  1.3217200000e-01  2.1935140000e+00  8.4317200000e-01  4.7704800000e-01  7.5554700000e-01  4.0037100000e-01  3.0949900000e-01
+ENERGY -1.526587462211e+02
+FORCES -3.9915000000e-03 -1.6694000000e-03 -5.7575000000e-03  2.6534000000e-03 -2.5692000000e-03  2.5691000000e-03 -1.0359000000e-03  3.4828000000e-03  2.9374000000e-03 -1.2467000000e-03 -4.5167000000e-03  2.6338000000e-03 -3.2171000000e-03  6.6720000000e-04 -1.4816000000e-03  6.8378000000e-03  4.6053000000e-03 -9.0130000000e-04
+
+JOB 42
+COORDS  3.0374800000e-01  3.8991600000e-01 -1.7445700000e+00 -5.4056400000e-01  1.2681000000e-02 -1.4974620000e+00  9.5012100000e-01 -2.4325900000e-01 -1.4322830000e+00 -2.9916700000e-01 -3.8761000000e-01  1.7278030000e+00  2.1478100000e-01  2.9297400000e-01  2.1624220000e+00 -6.8063200000e-01  4.9224000000e-02  9.6629600000e-01
+ENERGY -1.526553449203e+02
+FORCES  3.7630000000e-04 -5.7843000000e-03  6.0000000000e-04  3.1884000000e-03  3.0153000000e-03  1.2406000000e-03 -2.8968000000e-03  3.5183000000e-03 -1.8317000000e-03  9.4730000000e-04  6.2898000000e-03 -7.3540000000e-04 -2.0917000000e-03 -3.2725000000e-03 -1.3484000000e-03  4.7640000000e-04 -3.7665000000e-03  2.0750000000e-03
+
+JOB 43
+COORDS  4.4916800000e-01  1.6779480000e+00  6.1815300000e-01 -3.6353700000e-01  1.5242990000e+00  1.3634800000e-01  9.4438800000e-01  8.6484400000e-01  5.1890100000e-01 -3.6503400000e-01 -1.5837340000e+00 -5.6713500000e-01 -8.6527900000e-01 -2.1571480000e+00  1.3540000000e-02 -8.8720600000e-01 -1.5386840000e+00 -1.3680960000e+00
+ENERGY -1.526576087341e+02
+FORCES -1.6171000000e-03 -6.6273000000e-03 -3.0867000000e-03  2.1961000000e-03  2.6521000000e-03  1.6994000000e-03 -2.0930000000e-04  5.2047000000e-03  1.5776000000e-03 -4.4462000000e-03 -4.1553000000e-03 -1.1853000000e-03  2.0541000000e-03  2.5642000000e-03 -2.8156000000e-03  2.0225000000e-03  3.6160000000e-04  3.8107000000e-03
+
+JOB 44
+COORDS -7.0346000000e-02 -3.3745000000e-02 -1.7746520000e+00  5.4330500000e-01 -5.8088600000e-01 -2.2648570000e+00 -9.2874900000e-01 -4.1898400000e-01 -1.9506260000e+00  1.4362100000e-01  1.1020300000e-01  1.8538120000e+00  6.0464000000e-02 -7.1131500000e-01  1.3696390000e+00 -6.7393800000e-01  5.7604700000e-01  1.6782610000e+00
+ENERGY -1.526545178751e+02
+FORCES  1.4200000000e-05 -2.9813000000e-03 -4.3023000000e-03 -2.9190000000e-03  2.0911000000e-03  2.2962000000e-03  3.6144000000e-03  1.5316000000e-03  1.9754000000e-03 -3.1792000000e-03 -6.4550000000e-04 -5.7618000000e-03  2.2000000000e-05  1.9025000000e-03  3.8041000000e-03  2.4476000000e-03 -1.8985000000e-03  1.9884000000e-03
+
+JOB 45
+COORDS -2.4942200000e-01 -1.4072810000e+00 -1.1930730000e+00  4.1605000000e-01 -1.1058640000e+00 -1.8115590000e+00  2.8695000000e-02 -1.0515770000e+00 -3.4906000000e-01  2.0382400000e-01  1.4446640000e+00  1.1643680000e+00  8.9938400000e-01  7.9422100000e-01  1.0676690000e+00 -5.4492600000e-01  9.4806500000e-01  1.4945120000e+00
+ENERGY -1.526528176064e+02
+FORCES  3.5544000000e-03  4.0462000000e-03 -1.5130000000e-04 -2.5344000000e-03 -1.8470000000e-03  2.7954000000e-03 -4.1240000000e-04 -2.0371000000e-03 -1.7077000000e-03 -7.4000000000e-04 -2.9245000000e-03  2.3736000000e-03 -4.1042000000e-03  1.2862000000e-03 -1.2861000000e-03  4.2367000000e-03  1.4762000000e-03 -2.0239000000e-03
+
+JOB 46
+COORDS -1.6191310000e+00  6.6285100000e-01  5.1302200000e-01 -9.8537600000e-01  1.3460460000e+00  7.3172600000e-01 -2.0356320000e+00  9.7066800000e-01 -2.9196700000e-01  1.6585770000e+00 -7.3884000000e-01 -4.5081200000e-01  8.6716200000e-01 -3.9094200000e-01 -3.9885000000e-02  1.4744830000e+00 -7.0897600000e-01 -1.3896670000e+00
+ENERGY -1.526566338508e+02
+FORCES -2.5994000000e-03  5.7734000000e-03 -1.3991000000e-03 -1.5837000000e-03 -4.8038000000e-03 -1.9431000000e-03  2.4129000000e-03 -1.5369000000e-03  3.4922000000e-03 -5.7778000000e-03  4.1420000000e-04 -1.7014000000e-03  6.4586000000e-03 -4.9800000000e-05 -1.8105000000e-03  1.0893000000e-03  2.0280000000e-04  3.3618000000e-03
+
+JOB 47
+COORDS  1.7694750000e+00  7.3745000000e-02  2.1692100000e-01  1.5397790000e+00  5.5446000000e-01  1.0121470000e+00  2.6917580000e+00 -1.5481800000e-01  3.3261500000e-01 -1.7934760000e+00 -1.6131000000e-01 -2.5975300000e-01 -2.5340870000e+00  3.7047000000e-01  3.1688000000e-02 -1.2137530000e+00  4.5749200000e-01 -7.0386800000e-01
+ENERGY -1.526549887315e+02
+FORCES  3.0294000000e-03 -2.4120000000e-04  4.4550000000e-03  1.3029000000e-03 -1.0815000000e-03 -3.8063000000e-03 -3.8054000000e-03  1.0103000000e-03 -2.7990000000e-04  5.7720000000e-04  4.1005000000e-03 -1.7456000000e-03  3.2889000000e-03 -2.1056000000e-03 -7.7850000000e-04 -4.3931000000e-03 -1.6824000000e-03  2.1553000000e-03
+
+JOB 48
+COORDS -1.4154550000e+00  5.0040500000e-01 -1.0786850000e+00 -2.3666480000e+00  4.4984000000e-01 -9.8430700000e-01 -1.0733330000e+00  6.7311000000e-02 -2.9662700000e-01  1.4045290000e+00 -5.2607500000e-01  1.0408670000e+00  1.7458270000e+00 -1.4405700000e-01  2.3228200000e-01  1.8329910000e+00 -3.1504000000e-02  1.7394750000e+00
+ENERGY -1.526579386312e+02
+FORCES -2.1446000000e-03 -2.5765000000e-03  4.3470000000e-03  3.5731000000e-03  2.4420000000e-04 -2.4520000000e-04 -3.0354000000e-03  2.7961000000e-03 -5.3046000000e-03  5.3472000000e-03  3.5072000000e-03  9.7900000000e-05 -2.1034000000e-03 -1.7959000000e-03  4.1022000000e-03 -1.6369000000e-03 -2.1752000000e-03 -2.9973000000e-03
+
+JOB 49
+COORDS -1.4249310000e+00 -1.1584940000e+00 -2.2730000000e-01 -1.0658650000e+00 -8.5633400000e-01 -1.0615680000e+00 -1.6958420000e+00 -2.0610290000e+00 -3.9543400000e-01  1.4153960000e+00  1.1858030000e+00  2.1202600000e-01  1.5271190000e+00  4.6641600000e-01  8.3350200000e-01  1.3562740000e+00  1.9688190000e+00  7.5940300000e-01
+ENERGY -1.526558520047e+02
+FORCES  4.4160000000e-04 -1.3083000000e-03 -4.8665000000e-03 -2.4674000000e-03 -2.6410000000e-03  3.2093000000e-03  1.3371000000e-03  3.6584000000e-03  8.6070000000e-04 -8.0040000000e-04 -1.8860000000e-04  5.5829000000e-03  9.1900000000e-04  3.4497000000e-03 -2.6102000000e-03  5.7020000000e-04 -2.9703000000e-03 -2.1762000000e-03
+
+JOB 50
+COORDS  3.1989400000e-01 -4.6130200000e-01  1.8022110000e+00  1.1889040000e+00 -6.8889100000e-01  2.1327530000e+00  2.4542800000e-01  4.8117600000e-01  1.9519500000e+00 -3.1294500000e-01  3.7329400000e-01 -1.8144240000e+00 -3.0232300000e-01  1.3110190000e+00 -1.6226120000e+00 -1.1567570000e+00  2.2521300000e-01 -2.2413720000e+00
+ENERGY -1.526524276780e+02
+FORCES  3.4887000000e-03  2.8128000000e-03  6.4150000000e-04 -3.6035000000e-03  9.1190000000e-04 -1.0872000000e-03  1.0680000000e-04 -3.4417000000e-03 -2.9840000000e-04 -3.7087000000e-03  2.4843000000e-03 -1.9750000000e-04  1.7750000000e-04 -3.5034000000e-03 -5.7500000000e-04  3.5392000000e-03  7.3610000000e-04  1.5165000000e-03
+
+JOB 51
+COORDS  9.5975700000e-01 -1.0666090000e+00  1.2826120000e+00  7.6533500000e-01 -2.4431000000e-01  1.7323400000e+00  2.5746100000e-01 -1.6589350000e+00  1.5512430000e+00 -9.3507200000e-01  1.0509380000e+00 -1.2671420000e+00 -1.3669100000e-01  6.2808900000e-01 -1.5834010000e+00 -1.2867130000e+00  1.5036160000e+00 -2.0337340000e+00
+ENERGY -1.526561361889e+02
+FORCES -4.7137000000e-03  1.4066000000e-03  3.1569000000e-03  1.5854000000e-03 -3.7570000000e-03 -1.3326000000e-03  3.2020000000e-03  1.9789000000e-03 -7.8740000000e-04  2.4379000000e-03 -5.5690000000e-04 -4.4102000000e-03 -3.9507000000e-03  2.8372000000e-03  2.7500000000e-04  1.4391000000e-03 -1.9088000000e-03  3.0982000000e-03
+
+JOB 52
+COORDS -1.7875440000e+00  2.9276300000e-01 -7.3750000000e-01 -1.6597970000e+00 -2.1066800000e-01 -1.5415340000e+00 -1.1897150000e+00  1.0355360000e+00 -8.2188600000e-01  1.6784590000e+00 -3.0765200000e-01  7.6123200000e-01  1.9655720000e+00 -8.7230000000e-03  1.6240400000e+00  2.4819470000e+00 -5.9375500000e-01  3.2674000000e-01
+ENERGY -1.526541023836e+02
+FORCES  5.0863000000e-03  2.8260000000e-04 -2.5394000000e-03 -1.0898000000e-03  2.0328000000e-03  2.6333000000e-03 -3.7237000000e-03 -1.9822000000e-03 -4.8140000000e-04  4.3290000000e-03 -5.8190000000e-04  2.7302000000e-03 -1.0054000000e-03 -1.0782000000e-03 -3.8078000000e-03 -3.5963000000e-03  1.3269000000e-03  1.4651000000e-03
+
+JOB 53
+COORDS  1.2231740000e+00 -1.6152800000e+00  4.0712000000e-02  1.6284360000e+00 -1.1258500000e+00 -6.7514700000e-01  4.3690900000e-01 -1.1147710000e+00  2.5868200000e-01 -1.1499820000e+00  1.5053530000e+00 -1.0984000000e-02 -1.1603920000e+00  2.3239400000e+00  4.8503900000e-01 -1.9757480000e+00  1.5075590000e+00 -4.9506800000e-01
+ENERGY -1.526574688169e+02
+FORCES -2.4438000000e-03  5.5913000000e-03 -1.8459000000e-03 -8.1420000000e-04 -2.5391000000e-03  2.4052000000e-03  3.9580000000e-03 -4.4521000000e-03 -6.1520000000e-04 -4.0150000000e-03  4.7255000000e-03  2.9940000000e-04 -2.7850000000e-04 -3.3326000000e-03 -2.3581000000e-03  3.5936000000e-03  7.0000000000e-06  2.1146000000e-03
+
+JOB 54
+COORDS  1.1982140000e+00 -1.4737830000e+00  5.5959400000e-01  1.2708880000e+00 -2.0493770000e+00  1.3209370000e+00  2.9850100000e-01 -1.1484500000e+00  5.8971200000e-01 -1.1643980000e+00  1.4415160000e+00 -5.6896200000e-01 -1.5760750000e+00  1.6828100000e+00 -1.3987400000e+00 -5.0099500000e-01  2.1163550000e+00 -4.2501600000e-01
+ENERGY -1.526566853638e+02
+FORCES -4.3052000000e-03 -3.3790000000e-04  2.5385000000e-03 -2.6040000000e-04  2.2709000000e-03 -2.9284000000e-03  4.9863000000e-03 -3.0832000000e-03  1.0683000000e-03  1.1899000000e-03  4.4698000000e-03 -3.6332000000e-03  1.6135000000e-03 -6.8850000000e-04  3.5025000000e-03 -3.2241000000e-03 -2.6311000000e-03 -5.4770000000e-04
+
+JOB 55
+COORDS  4.0088300000e-01 -1.3168040000e+00  1.4026250000e+00  3.7099000000e-01 -2.2371910000e+00  1.6638250000e+00  9.6559800000e-01 -1.3048690000e+00  6.2984700000e-01 -3.7581100000e-01  1.3861250000e+00 -1.3920590000e+00 -1.2103190000e+00  1.4511350000e+00 -1.8563900000e+00 -5.8626600000e-01  9.1677000000e-01 -5.8481300000e-01
+ENERGY -1.526566299814e+02
+FORCES  3.1469000000e-03 -4.8318000000e-03 -1.2090000000e-03  3.1470000000e-04  3.7644000000e-03 -1.1202000000e-03 -3.4116000000e-03  2.3040000000e-04  3.4657000000e-03 -4.8587000000e-03 -1.3076000000e-03  2.2033000000e-03  3.3167000000e-03 -2.1470000000e-04  1.6888000000e-03  1.4920000000e-03  2.3593000000e-03 -5.0286000000e-03
+
+JOB 56
+COORDS  1.5041180000e+00  1.1033030000e+00 -6.7645000000e-01  1.6367110000e+00  1.8986100000e-01 -4.2292600000e-01  2.2701320000e+00  1.3182660000e+00 -1.2086580000e+00 -1.5769980000e+00 -1.1187580000e+00  7.3072600000e-01 -1.0516060000e+00 -1.1707100000e+00 -6.7707000000e-02 -1.7062730000e+00 -1.8096100000e-01  8.7234700000e-01
+ENERGY -1.526553789937e+02
+FORCES  5.1230000000e-03 -2.0738000000e-03 -1.0307000000e-03 -1.7274000000e-03  3.6394000000e-03 -1.7655000000e-03 -3.1964000000e-03 -1.0430000000e-03  2.3015000000e-03  9.1050000000e-04  4.7099000000e-03 -3.0695000000e-03 -1.1851000000e-03 -7.7140000000e-04  3.6608000000e-03  7.5400000000e-05 -4.4611000000e-03 -9.6500000000e-05
+
+JOB 57
+COORDS -1.7035000000e+00  1.0619130000e+00 -9.5170000000e-02 -2.5567200000e+00  7.4940800000e-01  2.0580800000e-01 -1.6653930000e+00  8.0550300000e-01 -1.0166010000e+00  1.7638860000e+00 -1.0115890000e+00  7.7829000000e-02  1.0809010000e+00 -6.1414400000e-01  6.1801400000e-01  2.0944390000e+00 -1.7386340000e+00  6.0544000000e-01
+ENERGY -1.526563373570e+02
+FORCES -4.0938000000e-03 -1.5724000000e-03 -3.6036000000e-03  3.7096000000e-03  1.1426000000e-03 -1.1067000000e-03 -5.7350000000e-04  1.1147000000e-03  4.2604000000e-03 -1.9366000000e-03 -3.8350000000e-04  4.5692000000e-03  4.2775000000e-03 -3.0722000000e-03 -2.0586000000e-03 -1.3830000000e-03  2.7708000000e-03 -2.0606000000e-03
+
+JOB 58
+COORDS -4.7303300000e-01 -1.9373680000e+00 -5.8437200000e-01 -4.7615400000e-01 -1.4284370000e+00 -1.3950580000e+00 -1.1606900000e+00 -1.5408640000e+00 -4.9448000000e-02  4.7031500000e-01  1.9203880000e+00  5.6174600000e-01  2.4013900000e-01  1.4484320000e+00  1.3620630000e+00  1.4106650000e+00  1.7741070000e+00  4.5890100000e-01
+ENERGY -1.526553151876e+02
+FORCES -3.0214000000e-03  4.6396000000e-03 -1.6851000000e-03  4.5900000000e-05 -2.9016000000e-03  2.9782000000e-03  2.7852000000e-03 -2.0784000000e-03 -1.4772000000e-03  3.7837000000e-03 -2.7712000000e-03  3.1332000000e-03  2.8670000000e-04  2.0422000000e-03 -3.3253000000e-03 -3.8801000000e-03  1.0693000000e-03  3.7610000000e-04
+
+JOB 59
+COORDS -1.3633670000e+00 -1.1485880000e+00  1.0873800000e+00 -1.5158300000e+00 -7.2583300000e-01  2.4223900000e-01 -1.3187850000e+00 -4.2541400000e-01  1.7128910000e+00  1.4134860000e+00  1.1215910000e+00 -1.1115760000e+00  1.1566510000e+00  1.1957430000e+00 -1.9246300000e-01  9.1883800000e-01  3.7041600000e-01 -1.4391290000e+00
+ENERGY -1.526537713427e+02
+FORCES -2.1837000000e-03  4.0938000000e-03 -3.7300000000e-05  2.1018000000e-03 -1.6351000000e-03  3.3187000000e-03  5.1480000000e-04 -2.9190000000e-03 -3.1433000000e-03 -1.8342000000e-03 -3.6130000000e-03  2.6364000000e-03  2.8850000000e-04  3.3230000000e-04 -3.9706000000e-03  1.1129000000e-03  3.7409000000e-03  1.1962000000e-03
+
+JOB 60
+COORDS -2.5631500000e-01  4.3443100000e-01 -2.0360930000e+00 -6.9588000000e-01  1.1509710000e+00 -2.4938980000e+00 -7.5776800000e-01  3.2219000000e-01 -1.2285180000e+00  2.5802200000e-01 -4.7157400000e-01  1.9866370000e+00  5.4176600000e-01 -8.2032200000e-01  2.8316790000e+00  1.0551470000e+00 -1.1564100000e-01  1.5940370000e+00
+ENERGY -1.526560995643e+02
+FORCES -4.4603000000e-03  1.9621000000e-03  1.7189000000e-03  1.8046000000e-03 -2.8195000000e-03  1.7726000000e-03  2.4781000000e-03  1.1706000000e-03 -4.4308000000e-03  4.9403000000e-03 -4.8400000000e-04  2.3160000000e-03 -9.6910000000e-04  1.5305000000e-03 -3.3729000000e-03 -3.7936000000e-03 -1.3597000000e-03  1.9961000000e-03
+
+JOB 61
+COORDS  2.0294040000e+00 -4.3141200000e-01 -6.6039800000e-01  1.3044530000e+00 -1.0564380000e+00 -6.6504900000e-01  2.8143430000e+00 -9.7373600000e-01 -7.3777800000e-01 -1.9741870000e+00  5.3332400000e-01  6.7854500000e-01 -2.1735640000e+00 -3.9461500000e-01  8.0268200000e-01 -2.7825180000e+00  9.0770100000e-01  3.2829400000e-01
+ENERGY -1.526533659334e+02
+FORCES -4.4620000000e-04 -4.3431000000e-03 -8.6600000000e-05  3.4208000000e-03  1.7425000000e-03 -1.9040000000e-04 -3.2288000000e-03  2.2773000000e-03  3.3910000000e-04 -4.4139000000e-03 -1.5496000000e-03 -7.3830000000e-04  1.3370000000e-03  3.5287000000e-03 -8.7410000000e-04  3.3311000000e-03 -1.6558000000e-03  1.5504000000e-03
+
+JOB 62
+COORDS -1.6728550000e+00  1.3992160000e+00  3.9368200000e-01 -2.0425890000e+00  2.2671270000e+00  2.3163700000e-01 -1.0865420000e+00  1.5236540000e+00  1.1399970000e+00  1.6143190000e+00 -1.4885960000e+00 -4.3970600000e-01  1.6172430000e+00 -5.4120500000e-01 -3.0305100000e-01  2.5269570000e+00 -1.7511780000e+00 -3.1981500000e-01
+ENERGY -1.526537510743e+02
+FORCES -2.6600000000e-05  3.9514000000e-03  2.6463000000e-03  1.6500000000e-03 -3.6467000000e-03  6.8710000000e-04 -1.7854000000e-03 -4.3140000000e-04 -3.5226000000e-03  3.1444000000e-03  3.0431000000e-03  5.8100000000e-04  8.0110000000e-04 -4.0059000000e-03  2.6500000000e-05 -3.7835000000e-03  1.0895000000e-03 -4.1830000000e-04
+
+JOB 63
+COORDS -2.4123600000e-01 -1.8806480000e+00  1.3130210000e+00 -4.0807300000e-01 -1.0276530000e+00  9.1202600000e-01 -1.7295800000e-01 -1.6962160000e+00  2.2498000000e+00  2.5728700000e-01  1.7667100000e+00 -1.2980920000e+00 -9.9973000000e-02  2.6410990000e+00 -1.1430390000e+00  4.5102200000e-01  1.7493470000e+00 -2.2353200000e+00
+ENERGY -1.526557550701e+02
+FORCES -3.9000000000e-06  4.9573000000e-03  1.3601000000e-03  6.1700000000e-05 -4.5634000000e-03  2.7626000000e-03 -3.6110000000e-04 -8.4100000000e-04 -3.4894000000e-03 -1.9520000000e-04  3.7697000000e-03 -4.0599000000e-03  1.4059000000e-03 -3.7288000000e-03 -4.8010000000e-04 -9.0740000000e-04  4.0630000000e-04  3.9067000000e-03
+
+JOB 64
+COORDS -5.5970300000e-01 -1.9924590000e+00  1.2158840000e+00  2.2111100000e-01 -2.3576040000e+00  7.9967500000e-01 -7.1705700000e-01 -2.5599560000e+00  1.9704820000e+00  5.5971100000e-01  2.0010580000e+00 -1.1954930000e+00  3.1470700000e-01  2.9040460000e+00 -9.9346200000e-01  2.1358600000e-01  1.8495180000e+00 -2.0749610000e+00
+ENERGY -1.526536410994e+02
+FORCES  3.0605000000e-03 -3.2660000000e-03  1.1622000000e-03 -3.3959000000e-03  9.4480000000e-04  1.7671000000e-03  5.2710000000e-04  2.3456000000e-03 -3.0379000000e-03 -3.0339000000e-03  2.8311000000e-03 -2.3406000000e-03  1.1657000000e-03 -3.5272000000e-03 -9.5620000000e-04  1.6765000000e-03  6.7170000000e-04  3.4053000000e-03
+
+JOB 65
+COORDS -5.2741800000e-01 -2.0841710000e+00  1.1975460000e+00 -5.1408700000e-01 -2.8890950000e+00  1.7153800000e+00 -1.3633760000e+00 -2.1120570000e+00  7.3211200000e-01  5.3706800000e-01  2.1722690000e+00 -1.2143410000e+00  6.5188600000e-01  1.3395140000e+00 -1.6721260000e+00  1.1497680000e+00  2.1290240000e+00 -4.8020200000e-01
+ENERGY -1.526548627448e+02
+FORCES -3.7298000000e-03 -3.4068000000e-03  5.1600000000e-04 -4.2100000000e-05  3.2916000000e-03 -2.1566000000e-03  3.6222000000e-03 -7.1700000000e-05  1.7770000000e-03  2.9807000000e-03 -4.1322000000e-03  1.7310000000e-03 -5.7290000000e-04  3.6238000000e-03  1.3271000000e-03 -2.2582000000e-03  6.9530000000e-04 -3.1945000000e-03
+
+JOB 66
+COORDS  1.8232870000e+00 -1.0768190000e+00  1.6859130000e+00  1.0222010000e+00 -1.5009900000e+00  1.3783870000e+00  1.5851340000e+00 -1.5463900000e-01  1.7813030000e+00 -1.8162370000e+00  1.0298540000e+00 -1.7151400000e+00 -1.7721700000e+00  1.6574750000e+00 -9.9376400000e-01 -9.4070800000e-01  6.4472700000e-01 -1.7519910000e+00
+ENERGY -1.526537624561e+02
+FORCES -4.1555000000e-03  1.5838000000e-03 -1.8920000000e-04  3.4421000000e-03  2.1420000000e-03  9.5620000000e-04  8.3810000000e-04 -3.6715000000e-03 -8.6730000000e-04  3.6525000000e-03  1.3957000000e-03  2.0972000000e-03 -1.0400000000e-05 -2.8952000000e-03 -2.7065000000e-03 -3.7668000000e-03  1.4452000000e-03  7.0960000000e-04
+
+JOB 67
+COORDS  1.5367700000e-01 -2.8106890000e+00  8.5896800000e-01 -3.7855200000e-01 -2.1297600000e+00  1.2704290000e+00  9.5257500000e-01 -2.3591320000e+00  5.8677400000e-01 -2.2699000000e-01  2.7600130000e+00 -8.4495900000e-01  1.2649100000e-01  3.2742730000e+00 -1.5707830000e+00  5.1582600000e-01  2.2432510000e+00 -5.3284900000e-01
+ENERGY -1.526538652270e+02
+FORCES  7.3400000000e-04  4.5490000000e-03  5.6320000000e-04  2.4738000000e-03 -2.8241000000e-03 -1.6481000000e-03 -3.1298000000e-03 -1.6557000000e-03  1.0788000000e-03  4.4292000000e-03  3.7810000000e-04 -2.0319000000e-03 -1.4079000000e-03 -2.1564000000e-03  3.0648000000e-03 -3.0993000000e-03  1.7091000000e-03 -1.0268000000e-03
+
+JOB 68
+COORDS -1.6017800000e+00 -5.6954600000e-01  2.5593700000e+00 -9.9847200000e-01 -6.3772800000e-01  1.8193670000e+00 -1.1233740000e+00 -5.9280000000e-02  3.2128140000e+00  1.5574670000e+00  5.1874700000e-01 -2.5006220000e+00  1.3503610000e+00  7.1338000000e-02 -3.3210880000e+00  1.4460050000e+00  1.4484090000e+00 -2.6994600000e+00
+ENERGY -1.526547569685e+02
+FORCES  4.6423000000e-03  1.7592000000e-03 -6.4410000000e-04 -2.7207000000e-03  2.2490000000e-04  3.3368000000e-03 -2.0199000000e-03 -2.0102000000e-03 -2.5025000000e-03 -1.2007000000e-03  1.9904000000e-03 -4.5101000000e-03  8.5110000000e-04  1.8601000000e-03  3.4002000000e-03  4.4790000000e-04 -3.8244000000e-03  9.1970000000e-04
+
+JOB 69
+COORDS  2.2971800000e-01  2.6853640000e+00 -2.4979810000e+00  2.1775000000e-01  3.4941480000e+00 -1.9861630000e+00 -6.5773000000e-01  2.6101570000e+00 -2.8487120000e+00 -1.4763400000e-01 -2.7762070000e+00  2.4929570000e+00 -2.5809100000e-01 -2.0804010000e+00  3.1409420000e+00 -6.7533200000e-01 -2.4942870000e+00  1.7457700000e+00
+ENERGY -1.526540600874e+02
+FORCES -3.5395000000e-03  3.1394000000e-03  4.6020000000e-04 -1.0100000000e-05 -3.3752000000e-03 -2.0218000000e-03  3.5943000000e-03  2.2620000000e-04  1.5522000000e-03 -2.4326000000e-03  4.0922000000e-03 -5.8500000000e-04  3.8380000000e-04 -2.8575000000e-03 -2.5581000000e-03  2.0040000000e-03 -1.2251000000e-03  3.1527000000e-03
+
+JOB 70
+COORDS  1.2703630000e+00 -3.4172550000e+00 -1.0591750000e+00  2.0140400000e+00 -2.8158190000e+00 -1.0211010000e+00  7.9657600000e-01 -3.1632260000e+00 -1.8511510000e+00 -1.2643630000e+00  3.3960450000e+00  1.0439220000e+00 -1.8107980000e+00  2.6543780000e+00  1.3038650000e+00 -1.0134410000e+00  3.8102780000e+00  1.8695620000e+00
+ENERGY -1.526543039131e+02
+FORCES  1.1435000000e-03  3.5806000000e-03 -3.1461000000e-03 -3.0155000000e-03 -2.5242000000e-03 -1.1560000000e-04  1.8941000000e-03 -1.1012000000e-03  3.2466000000e-03 -1.2686000000e-03 -1.3411000000e-03  4.5150000000e-03  2.2454000000e-03  3.0608000000e-03 -1.1152000000e-03 -9.9890000000e-04 -1.6748000000e-03 -3.3847000000e-03
+
+JOB 71
+COORDS -7.1991500000e-01 -2.5570990000e+00 -2.6468680000e+00 -1.4443240000e+00 -2.8825530000e+00 -2.1125060000e+00 -2.6501400000e-01 -3.3463530000e+00 -2.9407660000e+00  7.1024200000e-01  2.6810090000e+00  2.6127350000e+00  3.6073600000e-01  1.7982810000e+00  2.4908010000e+00  1.5484070000e+00  2.5482150000e+00  3.0555400000e+00
+ENERGY -1.526540580320e+02
+FORCES -1.1749000000e-03 -4.5575000000e-03  7.7520000000e-04  3.0249000000e-03  1.3537000000e-03 -2.0715000000e-03 -1.8414000000e-03  3.2311000000e-03  1.2677000000e-03  2.0265000000e-03 -4.2020000000e-03  1.0558000000e-03  1.3808000000e-03  3.6129000000e-03  6.9550000000e-04 -3.4160000000e-03  5.6180000000e-04 -1.7227000000e-03
+
+JOB 72
+COORDS -1.2588630000e+00  3.9185290000e+00 -4.0064500000e-01 -1.4740920000e+00  4.8510470000e+00 -4.1845800000e-01 -2.0437260000e+00  3.4977430000e+00 -4.9703000000e-02  1.3693650000e+00 -3.9272260000e+00  3.9973400000e-01  8.2596100000e-01 -3.6054430000e+00 -3.1957000000e-01  8.2719800000e-01 -4.5857200000e+00  8.3409800000e-01
+ENERGY -1.526540029395e+02
+FORCES -4.0077000000e-03  2.1403000000e-03  1.4337000000e-03  8.5450000000e-04 -3.8181000000e-03  5.5800000000e-05  3.1707000000e-03  1.6712000000e-03 -1.4819000000e-03 -4.3901000000e-03 -1.2398000000e-03 -1.2147000000e-03  2.1756000000e-03 -1.4210000000e-03  2.9583000000e-03  2.1970000000e-03  2.6675000000e-03 -1.7512000000e-03
+
+JOB 73
+COORDS -2.0677270000e+00  3.5655400000e+00  7.6878200000e-01 -2.7027950000e+00  4.2677670000e+00  9.0948700000e-01 -1.7486070000e+00  3.3513600000e+00  1.6454350000e+00  2.0200990000e+00 -3.5845380000e+00 -8.2107600000e-01  2.5483280000e+00 -4.2829090000e+00 -4.3444500000e-01  2.6315570000e+00 -3.1002910000e+00 -1.3759230000e+00
+ENERGY -1.526539914303e+02
+FORCES -1.2974000000e-03  1.8320000000e-03  4.1661000000e-03  2.5971000000e-03 -2.8301000000e-03 -5.8710000000e-04 -1.2988000000e-03  9.7930000000e-04 -3.5616000000e-03  4.6021000000e-03 -7.7050000000e-04 -7.6310000000e-04 -2.1590000000e-03  2.8356000000e-03 -1.5443000000e-03 -2.4440000000e-03 -2.0464000000e-03  2.2899000000e-03
+
+JOB 74
+COORDS -3.5470830000e+00  2.7940540000e+00  1.2700420000e+00 -3.1124690000e+00  1.9473430000e+00  1.1679490000e+00 -3.6300210000e+00  2.9086370000e+00  2.2167330000e+00  3.4610430000e+00 -2.7356980000e+00 -1.3104130000e+00  4.2347860000e+00 -2.1788530000e+00 -1.3968730000e+00  3.8027470000e+00 -3.6290020000e+00 -1.3488680000e+00
+ENERGY -1.526541931580e+02
+FORCES  1.5146000000e-03 -3.0689000000e-03  3.3812000000e-03 -1.8434000000e-03  3.5060000000e-03  4.6800000000e-04  3.1050000000e-04 -4.2960000000e-04 -3.8317000000e-03  4.5898000000e-03 -1.3717000000e-03 -5.9080000000e-04 -3.1656000000e-03 -2.2799000000e-03  3.8810000000e-04 -1.4059000000e-03  3.6441000000e-03  1.8520000000e-04
+
+JOB 75
+COORDS -4.9630000000e-03  4.7436900000e+00  9.2622000000e-01 -4.7468400000e-01  3.9643600000e+00  6.2917000000e-01  9.1939700000e-01  4.4999810000e+00  8.7725600000e-01 -4.4101000000e-02 -4.7510270000e+00 -9.0874700000e-01  2.9004400000e-01 -4.2087170000e+00 -1.6232250000e+00 -1.6908000000e-02 -4.1799470000e+00 -1.4104800000e-01
+ENERGY -1.526539021197e+02
+FORCES  1.8393000000e-03 -4.0688000000e-03 -1.3992000000e-03  1.9590000000e-03  3.1142000000e-03  1.2094000000e-03 -3.7964000000e-03  9.2740000000e-04  1.8710000000e-04  1.4727000000e-03  4.4326000000e-03  2.0880000000e-04 -1.3703000000e-03 -2.1493000000e-03  2.9560000000e-03 -1.0420000000e-04 -2.2561000000e-03 -3.1621000000e-03
+
+JOB 76
+COORDS  1.1336860000e+00 -1.1388710000e+00 -4.5614460000e+00  9.9174100000e-01 -1.9454990000e+00 -5.0568590000e+00  1.3686830000e+00 -1.4354460000e+00 -3.6822120000e+00 -1.1703500000e+00  1.2226510000e+00  4.4855670000e+00 -1.4921300000e+00  1.1909710000e+00  5.3865030000e+00 -2.9151200000e-01  8.4610000000e-01  4.5312390000e+00
+ENERGY -1.526540175630e+02
+FORCES  2.9630000000e-04 -4.4624000000e-03  1.6153000000e-03  6.0470000000e-04  3.2807000000e-03  2.0067000000e-03 -8.9670000000e-04  1.1770000000e-03 -3.6091000000e-03  2.2585000000e-03 -1.5922000000e-03  3.8788000000e-03  1.3198000000e-03  1.0700000000e-04 -3.6822000000e-03 -3.5828000000e-03  1.4899000000e-03 -2.0960000000e-04
+
+JOB 77
+COORDS -4.6066060000e+00 -1.4598780000e+00  2.1292340000e+00 -4.3979200000e+00 -1.7370550000e+00  3.0213410000e+00 -5.5406360000e+00 -1.6455410000e+00  2.0325430000e+00  4.6413020000e+00  1.4177280000e+00 -2.1632470000e+00  4.6205020000e+00  2.1164540000e+00 -1.5093500000e+00  4.7786960000e+00  1.8713250000e+00 -2.9948740000e+00
+ENERGY -1.526540176032e+02
+FORCES -2.9134000000e-03 -1.9293000000e-03  3.2243000000e-03 -8.7510000000e-04  1.1504000000e-03 -3.6263000000e-03  3.7989000000e-03  7.7380000000e-04  3.9850000000e-04  3.6850000000e-04  4.6927000000e-03 -7.0870000000e-04  1.4290000000e-04 -2.8393000000e-03 -2.6711000000e-03 -5.2180000000e-04 -1.8482000000e-03  3.3834000000e-03
+
+JOB 78
+COORDS -7.7672600000e-01  5.2811130000e+00 -3.0746900000e-01 -6.7195200000e-01  4.6809820000e+00  4.3083700000e-01 -1.5441460000e+00  5.8070080000e+00 -8.2230000000e-02  8.8604700000e-01 -5.2755290000e+00  2.5448100000e-01  3.0102700000e-01 -5.1794920000e+00 -4.9702400000e-01  2.9959400000e-01 -5.3972500000e+00  1.0011330000e+00
+ENERGY -1.526540550896e+02
+FORCES -2.6484000000e-03 -2.9160000000e-04  3.9439000000e-03 -4.6820000000e-04  2.4479000000e-03 -3.0174000000e-03  3.1153000000e-03 -2.1580000000e-03 -9.2510000000e-04 -4.7619000000e-03 -1.2070000000e-04 -6.9700000000e-05  2.3745000000e-03 -3.9490000000e-04  3.0954000000e-03  2.3887000000e-03  5.1740000000e-04 -3.0271000000e-03
+
+JOB 79
+COORDS -4.8163150000e+00  2.3832480000e+00 -2.0613100000e-01 -4.9808120000e+00  3.0069250000e+00 -9.1337900000e-01 -5.2684430000e+00  2.7546990000e+00  5.5138900000e-01  4.7783290000e+00 -2.4488830000e+00  2.0076500000e-01  5.3390490000e+00 -1.9687430000e+00  8.1010100000e-01  5.3854690000e+00 -2.8358740000e+00 -4.2998900000e-01
+ENERGY -1.526539564269e+02
+FORCES -2.4665000000e-03  4.0290000000e-03  2.0720000000e-04  6.5260000000e-04 -2.5331000000e-03  2.8862000000e-03  1.8291000000e-03 -1.5040000000e-03 -3.0930000000e-03  4.7103000000e-03  4.0450000000e-04 -9.2900000000e-05 -2.2638000000e-03 -1.9694000000e-03 -2.4840000000e-03 -2.4616000000e-03  1.5730000000e-03  2.5765000000e-03
+
+JOB 80
+COORDS -2.8605910000e+00 -4.5878130000e+00  8.1007400000e-01 -3.5333400000e+00 -3.9202060000e+00  6.7613300000e-01 -3.1938580000e+00 -5.3595750000e+00  3.5230900000e-01  2.9251870000e+00  4.6570290000e+00 -7.6230600000e-01  2.3391910000e+00  4.3624440000e+00 -1.4594860000e+00  3.2538620000e+00  3.8492350000e+00 -3.6774900000e-01
+ENERGY -1.526541321504e+02
+FORCES -4.1534000000e-03 -4.7930000000e-04 -2.3673000000e-03  2.7789000000e-03 -2.6966000000e-03  5.2100000000e-04  1.3734000000e-03  3.1670000000e-03  1.8514000000e-03 -1.0399000000e-03 -4.5407000000e-03 -1.2046000000e-03  2.3752000000e-03  1.2277000000e-03  2.8233000000e-03 -1.3343000000e-03  3.3220000000e-03 -1.6238000000e-03
+
+JOB 81
+COORDS  5.4755200000e+00  9.5058700000e-01  6.6940000000e-02  5.4502720000e+00  1.8011250000e+00 -3.7144200000e-01  6.1982830000e+00  1.0232450000e+00  6.9029100000e-01 -5.5323990000e+00 -9.9847200000e-01 -1.3522000000e-01 -5.5269070000e+00 -1.7719760000e+00  4.2860000000e-01 -5.1606280000e+00 -3.0320400000e-01  4.0756900000e-01
+ENERGY -1.526540923538e+02
+FORCES  2.8687000000e-03  3.7626000000e-03  7.0450000000e-04  9.6600000000e-05 -3.4659000000e-03  1.8140000000e-03 -2.9628000000e-03 -2.9740000000e-04 -2.5250000000e-03  1.6271000000e-03 -3.4060000000e-04  4.5019000000e-03 -6.5800000000e-05  3.1559000000e-03 -2.2905000000e-03 -1.5639000000e-03 -2.8145000000e-03 -2.2049000000e-03
+
+JOB 82
+COORDS -4.1442060000e+00 -4.3648680000e+00  6.0957800000e-01 -5.0262630000e+00 -4.6282240000e+00  8.7197100000e-01 -3.8923240000e+00 -5.0021310000e+00 -5.8766000000e-02  4.2323950000e+00  4.4395020000e+00 -5.6078200000e-01  4.0257790000e+00  3.5096880000e+00 -6.5558400000e-01  3.4951430000e+00  4.8921490000e+00 -9.7042000000e-01
+ENERGY -1.526541313978e+02
+FORCES -2.5941000000e-03 -3.7068000000e-03 -1.6226000000e-03  3.6020000000e-03  1.0820000000e-03 -1.0830000000e-03 -1.0131000000e-03  2.6205000000e-03  2.7117000000e-03 -3.8931000000e-03 -1.9780000000e-03 -2.0202000000e-03  8.7420000000e-04  3.8043000000e-03  3.6280000000e-04  3.0241000000e-03 -1.8220000000e-03  1.6512000000e-03
+
+JOB 83
+COORDS  5.7749760000e+00  3.3951990000e+00 -1.9672740000e+00  6.1388050000e+00  4.0015430000e+00 -2.6124150000e+00  4.8345180000e+00  3.5733090000e+00 -1.9741780000e+00 -5.7910480000e+00 -3.4092770000e+00  2.0434520000e+00 -5.3644460000e+00 -3.0741570000e+00  1.2548220000e+00 -5.3764100000e+00 -4.2579850000e+00  2.1983810000e+00
+ENERGY -1.526540830169e+02
+FORCES -2.3357000000e-03  3.2292000000e-03 -2.6497000000e-03 -1.4902000000e-03 -2.4827000000e-03  2.6275000000e-03  3.8275000000e-03 -7.4750000000e-04  2.2600000000e-05  3.4441000000e-03 -2.1098000000e-03 -2.5714000000e-03 -1.7470000000e-03 -1.3539000000e-03  3.2088000000e-03 -1.6988000000e-03  3.4648000000e-03 -6.3770000000e-04
+
+JOB 84
+COORDS -2.0730500000e+00 -6.8004860000e+00 -1.0634870000e+00 -1.2892990000e+00 -6.3342100000e+00 -1.3542680000e+00 -2.3789940000e+00 -7.2647830000e+00 -1.8426270000e+00  2.0308300000e+00  6.7359000000e+00  1.1497410000e+00  2.7440280000e+00  7.0813550000e+00  6.1286100000e-01  1.5005720000e+00  7.5027250000e+00  1.3666230000e+00
+ENERGY -1.526540679742e+02
+FORCES  1.9591000000e-03  4.5900000000e-05 -4.3517000000e-03 -3.2000000000e-03 -1.9271000000e-03  1.1739000000e-03  1.2430000000e-03  1.8815000000e-03  3.1753000000e-03  7.3560000000e-04  4.5413000000e-03 -1.2861000000e-03 -2.9066000000e-03 -1.4154000000e-03  2.1816000000e-03  2.1689000000e-03 -3.1263000000e-03 -8.9300000000e-04
+
+JOB 85
+COORDS -5.5678520000e+00 -3.4358130000e+00 -3.4855890000e+00 -5.9411710000e+00 -3.3359300000e+00 -4.3613100000e+00 -5.5596280000e+00 -2.5489160000e+00 -3.1256200000e+00  5.6425410000e+00  3.3908720000e+00  3.5594450000e+00  5.1709640000e+00  2.5761730000e+00  3.3859200000e+00  5.2237080000e+00  4.0365040000e+00  2.9902600000e+00
+ENERGY -1.526540684402e+02
+FORCES -1.5215000000e-03  4.0058000000e-03 -2.1168000000e-03  1.5340000000e-03 -3.9800000000e-04  3.5779000000e-03 -1.1000000000e-05 -3.6098000000e-03 -1.4603000000e-03 -3.6248000000e-03 -7.0720000000e-04 -3.0259000000e-03  1.9195000000e-03  3.3360000000e-03  7.0520000000e-04  1.7037000000e-03 -2.6267000000e-03  2.3199000000e-03
+
+JOB 86
+COORDS  6.9993550000e+00  1.5890410000e+00 -4.9747220000e+00  7.5594000000e+00  2.2152610000e+00 -4.5159950000e+00  6.5564360000e+00  2.1093570000e+00 -5.6450390000e+00 -7.0216270000e+00 -1.6498680000e+00  5.0396800000e+00 -6.1371030000e+00 -1.5792080000e+00  4.6807150000e+00 -7.5888580000e+00 -1.7065800000e+00  4.2707420000e+00
+ENERGY -1.526540875611e+02
+FORCES  4.9850000000e-04  4.6789000000e-03 -8.7010000000e-04 -2.2931000000e-03 -2.5548000000e-03 -1.8689000000e-03  1.7961000000e-03 -2.1248000000e-03  2.7386000000e-03  1.3043000000e-03  4.6400000000e-05 -4.6041000000e-03 -3.6135000000e-03 -2.8180000000e-04  1.4666000000e-03  2.3077000000e-03  2.3620000000e-04  3.1379000000e-03
+
+JOB 87
+COORDS -4.1756560000e+00 -2.7673440000e+00 -7.2711750000e+00 -4.6733730000e+00 -2.0169340000e+00 -7.5958200000e+00 -3.5176510000e+00 -2.9294880000e+00 -7.9471720000e+00  4.1901900000e+00  2.6870550000e+00  7.3666410000e+00  3.8335850000e+00  3.5529730000e+00  7.5647570000e+00  4.1898400000e+00  2.6403650000e+00  6.4105800000e+00
+ENERGY -1.526540731071e+02
+FORCES  6.4630000000e-04  2.3854000000e-03 -4.0894000000e-03  2.0348000000e-03 -3.0549000000e-03  1.3290000000e-03 -2.6814000000e-03  6.6850000000e-04  2.7610000000e-03 -1.4689000000e-03  3.3294000000e-03 -3.0972000000e-03  1.4599000000e-03 -3.5271000000e-03 -8.0570000000e-04  9.3000000000e-06  1.9870000000e-04  3.9023000000e-03
+
+JOB 88
+COORDS -8.1686640000e+00  3.4815230000e+00  8.5102600000e-01 -8.3859410000e+00  2.7258310000e+00  1.3968760000e+00 -8.2988500000e+00  3.1747810000e+00 -4.6299000000e-02  8.2202740000e+00 -3.4816470000e+00 -7.9974700000e-01  8.5665140000e+00 -2.5918350000e+00 -8.6745800000e-01  7.3431810000e+00 -3.4273940000e+00 -1.1792150000e+00
+ENERGY -1.526540791990e+02
+FORCES -1.4362000000e-03 -4.3313000000e-03 -1.4261000000e-03  8.9440000000e-04  3.0817000000e-03 -2.2310000000e-03  5.4170000000e-04  1.2505000000e-03  3.6575000000e-03 -2.1613000000e-03  3.8600000000e-03 -1.8193000000e-03 -1.4131000000e-03 -3.6334000000e-03  2.7340000000e-04  3.5745000000e-03 -2.2750000000e-04  1.5455000000e-03
+
+JOB 89
+COORDS -9.3129580000e+00  4.6585700000e-01  2.7079990000e+00 -9.8289470000e+00 -3.3278900000e-01  2.5977690000e+00 -9.0787740000e+00  4.7409200000e-01  3.6360740000e+00  9.3577080000e+00 -4.7237400000e-01 -2.7286710000e+00  9.1961540000e+00 -2.6519300000e-01 -3.6491100000e+00  9.0138760000e+00  2.8130300000e-01 -2.2491060000e+00
+ENERGY -1.526540867042e+02
+FORCES -1.1524000000e-03 -3.2294000000e-03  3.3384000000e-03  2.1050000000e-03  3.2596000000e-03  4.4850000000e-04 -9.5360000000e-04 -3.0400000000e-05 -3.7866000000e-03 -2.0708000000e-03  3.9217000000e-03 -1.8001000000e-03  6.6390000000e-04 -8.4650000000e-04  3.7538000000e-03  1.4078000000e-03 -3.0750000000e-03 -1.9540000000e-03
+
+JOB 0
+COORDS  2.6720700000e-01 -2.4990600000e-01  1.2092930000e+00 -2.5049000000e-02 -1.1503600000e+00  1.3507140000e+00  1.1796540000e+00 -2.4551800000e-01  1.4985230000e+00 -2.6861500000e-01  3.2273400000e-01 -1.2993290000e+00  2.6016000000e-02 -2.2554500000e-01 -5.7213200000e-01 -1.1218740000e+00  6.5425800000e-01 -1.0195590000e+00
+ENERGY -1.526551822289e+02
+FORCES  1.3759000000e-03  2.5215000000e-03 -4.6185000000e-03  1.6648000000e-03  5.6538000000e-03 -5.1797000000e-03 -5.2550000000e-03 -1.0883000000e-03 -2.1191000000e-03  1.8635000000e-03 -1.2445000000e-03  2.0472200000e-02 -9.5970000000e-04 -4.7309000000e-03 -6.6746000000e-03  1.3105000000e-03 -1.1116000000e-03 -1.8802000000e-03
+
+JOB 1
+COORDS -4.6624700000e-01 -9.9782000000e-01 -8.0130600000e-01 -1.3468530000e+00 -1.2229300000e+00 -5.0115500000e-01 -2.3425800000e-01 -2.1620800000e-01 -2.9981300000e-01  5.3854200000e-01  9.0999900000e-01  7.2918000000e-01  4.9522900000e-01  1.7968070000e+00  3.7151100000e-01 -2.9064000000e-02  9.3394900000e-01  1.4995570000e+00
+ENERGY -1.526575867881e+02
+FORCES  6.5449000000e-03  1.2990800000e-02  1.0599500000e-02  3.1119000000e-03  2.4148000000e-03  1.0522000000e-03 -7.0829000000e-03 -6.1552000000e-03 -5.3226000000e-03 -2.8471000000e-03 -2.5963000000e-03 -1.8329000000e-03 -1.1821000000e-03 -5.8871000000e-03  1.8234000000e-03  1.4552000000e-03 -7.6700000000e-04 -6.3196000000e-03
+
+JOB 2
+COORDS -1.9352800000e-01 -9.8898100000e-01  7.6185700000e-01  3.2521000000e-02 -1.9129220000e+00  6.5477700000e-01 -4.1151000000e-01 -9.0122600000e-01  1.6897660000e+00  1.6230300000e-01  1.0568000000e+00 -8.7930900000e-01 -1.7551000000e-02  2.7161700000e-01 -3.6222800000e-01  7.8228700000e-01  1.5569050000e+00 -3.4851200000e-01
+ENERGY -1.526589969506e+02
+FORCES  1.1557000000e-03  6.3790000000e-03 -4.4208000000e-03 -1.4900000000e-03  4.4851000000e-03  2.3427000000e-03  2.0518000000e-03 -2.1007000000e-03 -4.2347000000e-03 -3.7360000000e-04 -1.2643100000e-02  1.1994000000e-02  4.8710000000e-04  5.0176000000e-03 -4.9834000000e-03 -1.8310000000e-03 -1.1378000000e-03 -6.9760000000e-04
+
+JOB 3
+COORDS -1.2024550000e+00 -4.1561900000e-01  1.4129800000e-01 -1.6397330000e+00  2.9770000000e-03 -6.0018500000e-01 -1.9143940000e+00 -6.6259400000e-01  7.3153300000e-01  1.2868300000e+00  4.5659600000e-01 -1.8324400000e-01  1.8625720000e+00  8.9855000000e-02  4.8776500000e-01  4.4739900000e-01  1.7829000000e-02 -4.5144000000e-02
+ENERGY -1.526590213167e+02
+FORCES  5.6670000000e-03  3.7931000000e-03  6.5510000000e-04  2.2372000000e-03 -2.5605000000e-03  4.6153000000e-03  1.6819000000e-03  1.6243000000e-03 -4.1468000000e-03 -1.2861200000e-02 -6.5796000000e-03  5.0815000000e-03 -2.3570000000e-03  5.8620000000e-04 -1.2042000000e-03  5.6321000000e-03  3.1363000000e-03 -5.0009000000e-03
+
+JOB 4
+COORDS -2.9396200000e-01  2.5535000000e-01  1.2298680000e+00  1.8156500000e-01  9.0406000000e-02  2.0440550000e+00 -7.8138100000e-01  1.0622560000e+00  1.3958740000e+00  3.5410800000e-01 -3.1179500000e-01 -1.3145860000e+00  2.2157000000e-01 -1.5000000000e-01 -3.8051500000e-01 -4.8845900000e-01 -1.0050700000e-01 -1.7166680000e+00
+ENERGY -1.526595374322e+02
+FORCES  2.3352000000e-03  7.3640000000e-04 -4.9733000000e-03 -3.0704000000e-03  2.0431000000e-03 -3.6426000000e-03  2.3745000000e-03 -4.3945000000e-03  1.6330000000e-04 -5.9945000000e-03  3.1621000000e-03  1.4788200000e-02  2.3768000000e-03 -1.8437000000e-03 -7.7650000000e-03  1.9784000000e-03  2.9660000000e-04  1.4294000000e-03
+
+JOB 5
+COORDS  1.8472200000e-01  5.0091000000e-02 -1.3740580000e+00 -9.7056000000e-02 -2.6101600000e-01 -5.1379900000e-01 -4.2337100000e-01  7.5889800000e-01 -1.5839340000e+00 -1.5486600000e-01 -1.0001000000e-01  1.2763380000e+00 -6.3583300000e-01  5.5589500000e-01  1.7810070000e+00  6.1254300000e-01 -2.9994800000e-01  1.8123780000e+00
+ENERGY -1.526579218032e+02
+FORCES -3.8775000000e-03  1.4103000000e-03  1.5800500000e-02  5.0920000000e-04 -1.8305000000e-03 -7.5503000000e-03  1.4090000000e-03 -1.6223000000e-03  9.5550000000e-04  3.4550000000e-03  3.4107000000e-03 -6.0654000000e-03  2.9494000000e-03 -2.8933000000e-03 -1.7481000000e-03 -4.4452000000e-03  1.5251000000e-03 -1.3923000000e-03
+
+JOB 6
+COORDS  1.0243590000e+00 -7.7383900000e-01 -5.7616100000e-01  4.2590000000e-01 -1.4242920000e+00 -9.4357100000e-01  4.7896200000e-01 -2.5069900000e-01  1.1290000000e-02 -9.4013500000e-01  7.1562100000e-01  5.6783000000e-01 -1.1824170000e+00  1.1712620000e+00 -2.3834700000e-01 -1.1025050000e+00  1.3539730000e+00  1.2623620000e+00
+ENERGY -1.526603308876e+02
+FORCES -1.1211600000e-02  4.9245000000e-03  7.5991000000e-03  1.3458000000e-03  2.4432000000e-03  2.2780000000e-04  5.7365000000e-03 -3.5062000000e-03 -5.7051000000e-03  2.5758000000e-03  1.0089000000e-03 -2.4572000000e-03  1.3169000000e-03 -2.5266000000e-03  4.8439000000e-03  2.3670000000e-04 -2.3437000000e-03 -4.5085000000e-03
+
+JOB 7
+COORDS  3.0902400000e-01  4.6382100000e-01 -1.2494720000e+00  1.2578530000e+00  5.7685700000e-01 -1.1930960000e+00 -5.0429000000e-02  1.2079560000e+00 -7.6647100000e-01 -2.8563100000e-01 -5.5200500000e-01  1.2353570000e+00 -9.1824900000e-01 -1.5306800000e-01  1.8327480000e+00 -5.6292900000e-01 -2.6480500000e-01  3.6538400000e-01
+ENERGY -1.526549204401e+02
+FORCES  6.5929000000e-03  9.8440000000e-04  7.5787000000e-03 -4.3679000000e-03  8.4610000000e-04 -1.9289000000e-03 -1.8691000000e-03 -7.4755000000e-03  7.5040000000e-04  2.2580000000e-04  9.0540000000e-04 -9.2675000000e-03  2.7777000000e-03  5.5350000000e-04 -4.6030000000e-03 -3.3594000000e-03  4.1861000000e-03  7.4702000000e-03
+
+JOB 8
+COORDS -1.0455470000e+00 -9.2324700000e-01  1.1970700000e-01 -1.8543330000e+00 -4.3555200000e-01  2.7543100000e-01 -3.5549400000e-01 -2.6074900000e-01  1.5369500000e-01  9.9671100000e-01  8.7522200000e-01 -8.8319000000e-02  1.7303680000e+00  2.8894100000e-01  9.6756000000e-02  1.1337430000e+00  1.1525680000e+00 -9.9415200000e-01
+ENERGY -1.526607946958e+02
+FORCES  8.9902000000e-03  1.2223900000e-02 -3.0080000000e-04  2.7805000000e-03 -5.0170000000e-04 -9.3530000000e-04 -5.7836000000e-03 -8.9357000000e-03  1.8270000000e-03 -5.2400000000e-04 -3.6529000000e-03 -3.9514000000e-03 -5.5788000000e-03  2.3338000000e-03 -1.5492000000e-03  1.1570000000e-04 -1.4675000000e-03  4.9099000000e-03
+
+JOB 9
+COORDS -6.6714000000e-02 -4.2840800000e-01  1.2323180000e+00  7.0195300000e-01 -3.3587100000e-01  1.7951860000e+00 -8.0020200000e-01 -1.4827900000e-01  1.7798170000e+00  1.2253000000e-01  3.9584000000e-01 -1.3391010000e+00  1.0180000000e-02  2.9405900000e-01 -3.9398200000e-01 -7.4174200000e-01  6.5732300000e-01 -1.6567360000e+00
+ENERGY -1.526594526617e+02
+FORCES  1.4724000000e-03  1.5589000000e-03 -1.2688000000e-03 -4.9006000000e-03 -8.0000000000e-05 -2.4667000000e-03  4.1108000000e-03 -7.7070000000e-04 -3.4640000000e-03 -2.8309000000e-03 -4.7163000000e-03  1.3694100000e-02  2.2830000000e-04  4.9313000000e-03 -8.9993000000e-03  1.9200000000e-03 -9.2310000000e-04  2.5047000000e-03
+
+JOB 10
+COORDS -8.6436400000e-01  1.0934270000e+00  1.3687300000e-01 -1.0251900000e-01  5.3149400000e-01 -4.7430000000e-03 -5.4898700000e-01  1.7823960000e+00  7.2175900000e-01  7.6655600000e-01 -1.0486150000e+00 -1.5884200000e-01  1.2840880000e+00 -1.3979950000e+00  5.6664100000e-01  9.5130700000e-01 -1.6372050000e+00 -8.9073000000e-01
+ENERGY -1.526594018951e+02
+FORCES  8.2486000000e-03 -8.9103000000e-03 -1.1970000000e-03 -3.9770000000e-03  8.1870000000e-03  1.8725000000e-03  3.6710000000e-04 -3.5036000000e-03 -1.3014000000e-03 -2.7413000000e-03  1.1401000000e-03  1.2720000000e-04 -1.9107000000e-03  1.4719000000e-03 -4.1344000000e-03  1.3400000000e-05  1.6149000000e-03  4.6332000000e-03
+
+JOB 11
+COORDS  8.3005000000e-02  8.7875100000e-01  9.7867800000e-01  1.8401400000e-01  2.3754300000e-01  1.6821560000e+00 -2.9788000000e-02  1.7150010000e+00  1.4305580000e+00 -4.2544000000e-02 -8.9709300000e-01 -1.0985690000e+00 -7.8827000000e-01 -1.4550280000e+00 -8.7758700000e-01  1.3994000000e-02 -2.7400800000e-01 -3.7413800000e-01
+ENERGY -1.526586339297e+02
+FORCES -4.2520000000e-04  3.0380000000e-04 -2.0633000000e-03 -1.6068000000e-03  2.6647000000e-03 -5.3116000000e-03  8.5230000000e-04 -4.9359000000e-03  2.3240000000e-04 -2.1919000000e-03  8.9058000000e-03  7.9590000000e-03  2.5434000000e-03  1.7957000000e-03  6.5900000000e-04  8.2820000000e-04 -8.7342000000e-03 -1.4755000000e-03
+
+JOB 12
+COORDS  7.8275000000e-01  5.7578400000e-01 -1.0559880000e+00  2.3636800000e-01  5.1500700000e-01 -2.7240400000e-01  1.1004520000e+00 -3.1610700000e-01 -1.1967980000e+00 -7.2744200000e-01 -5.5024400000e-01  9.7705400000e-01 -1.6552690000e+00 -3.6142700000e-01  8.3663700000e-01 -5.3398600000e-01 -1.7678700000e-01  1.8369000000e+00
+ENERGY -1.526594999613e+02
+FORCES -6.8196000000e-03 -9.8190000000e-03  1.0414400000e-02  3.1308000000e-03  7.0255000000e-03 -4.2029000000e-03  4.1330000000e-04  2.6808000000e-03 -1.1857000000e-03 -1.7854000000e-03  4.9900000000e-04  2.6630000000e-04  5.7601000000e-03  1.6770000000e-04  7.5100000000e-04 -6.9910000000e-04 -5.5400000000e-04 -6.0432000000e-03
+
+JOB 13
+COORDS  3.0072500000e-01  8.0326400000e-01  1.0085440000e+00  8.8621300000e-01  1.0082910000e+00  1.7375160000e+00 -5.5136300000e-01  1.1427120000e+00  1.2823200000e+00 -3.4567000000e-01 -8.6204800000e-01 -1.0696490000e+00 -3.2746000000e-02 -4.7020700000e-01 -2.5431400000e-01  3.6344500000e-01 -7.1313100000e-01 -1.6951180000e+00
+ENERGY -1.526606426546e+02
+FORCES -1.9411000000e-03 -9.7110000000e-04 -4.7590000000e-04 -3.6587000000e-03  2.9720000000e-04 -3.2358000000e-03  5.1401000000e-03 -2.0958000000e-03 -3.6830000000e-04  6.5591000000e-03  8.1245000000e-03  8.0759000000e-03 -4.4228000000e-03 -4.7279000000e-03 -5.7514000000e-03 -1.6766000000e-03 -6.2690000000e-04  1.7556000000e-03
+
+JOB 14
+COORDS -3.4724400000e-01 -1.0006360000e+00 -7.7605900000e-01 -8.9150600000e-01 -9.0289400000e-01 -1.5573770000e+00 -6.1587000000e-02 -1.9140150000e+00 -7.9529900000e-01  3.8023400000e-01  1.0401220000e+00  8.8220300000e-01  4.6437700000e-01  1.8211580000e+00  3.3527200000e-01 -5.8188000000e-02  4.0037600000e-01  3.2118300000e-01
+ENERGY -1.526595278985e+02
+FORCES  2.7000000000e-03  5.0120000000e-04  2.6240000000e-03  3.1907000000e-03 -4.9940000000e-04  3.7231000000e-03 -2.5880000000e-03  3.8112000000e-03 -2.0351000000e-03 -2.7195000000e-03 -8.7476000000e-03 -9.4407000000e-03 -9.1370000000e-04 -2.7059000000e-03  7.3660000000e-04  3.3050000000e-04  7.6405000000e-03  4.3920000000e-03
+
+JOB 15
+COORDS -1.0071290000e+00 -7.6391900000e-01 -4.4816900000e-01 -8.4168600000e-01 -1.4155810000e+00 -1.1294890000e+00 -1.5751630000e+00 -1.2113570000e+00  1.7902100000e-01  1.0186100000e+00  8.9521300000e-01  4.3917600000e-01  1.8558690000e+00  4.7472100000e-01  6.3517900000e-01  3.8103500000e-01  1.8155300000e-01  4.5963900000e-01
+ENERGY -1.526587200213e+02
+FORCES  7.9480000000e-04 -1.5336000000e-03 -3.1152000000e-03 -1.6296000000e-03  2.4042000000e-03  4.0235000000e-03  4.7786000000e-03  2.5702000000e-03 -2.4215000000e-03 -7.0763000000e-03 -8.2769000000e-03 -3.4660000000e-03 -3.3982000000e-03  1.7920000000e-04 -1.2594000000e-03  6.5307000000e-03  4.6569000000e-03  6.2386000000e-03
+
+JOB 16
+COORDS -3.5020100000e-01  7.0463000000e-01  1.2184690000e+00 -1.6181600000e-01  4.6012700000e-01  3.1240000000e-01  3.7375100000e-01  3.3333000000e-01  1.7227140000e+00  2.7102600000e-01 -6.2445700000e-01 -1.1591500000e+00  5.2983200000e-01 -6.0716000000e-01 -2.0805360000e+00  5.4745400000e-01 -1.4865700000e+00 -8.4837400000e-01
+ENERGY -1.526600060512e+02
+FORCES  4.8125000000e-03 -4.8665000000e-03 -9.5416000000e-03 -1.8367000000e-03  3.0305000000e-03  7.8721000000e-03 -2.2217000000e-03  9.9900000000e-05 -1.4553000000e-03  3.9600000000e-04 -1.1298000000e-03  5.8390000000e-04 -8.2260000000e-04 -1.7230000000e-03  4.4564000000e-03 -3.2750000000e-04  4.5888000000e-03 -1.9156000000e-03
+
+JOB 17
+COORDS -9.9637000000e-02  1.3212710000e+00 -1.3180100000e-01 -5.9486200000e-01  2.1142050000e+00  7.3727000000e-02  6.6145900000e-01  1.6337150000e+00 -6.2102800000e-01  1.2387600000e-01 -1.4286190000e+00  1.9463400000e-01 -4.7965800000e-01 -1.7189720000e+00 -4.8923300000e-01  7.4774000000e-02 -4.7304500000e-01  1.6816100000e-01
+ENERGY -1.526608330482e+02
+FORCES -1.6340000000e-04 -3.9050000000e-04  9.9570000000e-04  3.4380000000e-03 -2.4351000000e-03 -2.4567000000e-03 -4.4029000000e-03 -1.3172000000e-03  2.6712000000e-03 -4.1430000000e-03  1.1433000000e-02 -2.4828000000e-03  1.7233000000e-03  6.3070000000e-04  1.7314000000e-03  3.5480000000e-03 -7.9208000000e-03 -4.5880000000e-04
+
+JOB 18
+COORDS -2.9240700000e-01 -9.7801400000e-01  9.8756900000e-01  3.5692300000e-01 -1.4751950000e+00  1.4849740000e+00  2.2080100000e-01 -4.8988600000e-01  3.4368900000e-01  2.5674700000e-01  9.5616800000e-01 -9.3536800000e-01 -1.9590000000e-02  5.2250900000e-01 -1.7427150000e+00 -1.4602600000e-01  1.8234160000e+00 -9.7881100000e-01
+ENERGY -1.526598610702e+02
+FORCES  3.7552000000e-03  7.0585000000e-03 -5.1628000000e-03 -1.2761000000e-03  2.7338000000e-03 -2.7241000000e-03 -6.3310000000e-04 -9.3630000000e-03  4.0057000000e-03 -5.4079000000e-03  1.5484000000e-03  1.2076000000e-03  1.6238000000e-03  1.5711000000e-03  4.6403000000e-03  1.9381000000e-03 -3.5487000000e-03 -1.9667000000e-03
+
+JOB 19
+COORDS -1.0633940000e+00  4.0300700000e-01  8.0948400000e-01 -1.3404340000e+00  5.7984300000e-01  1.7084890000e+00 -1.0864500000e-01  3.5444000000e-01  8.5773400000e-01  1.0680480000e+00 -3.9424800000e-01 -8.1471000000e-01  9.2255100000e-01 -1.2595370000e+00 -1.1972500000e+00  4.4592100000e-01  1.7569300000e-01 -1.2667680000e+00
+ENERGY -1.526595083562e+02
+FORCES  6.2420000000e-03 -2.1565000000e-03  4.0160000000e-04  2.6081000000e-03 -1.5427000000e-03 -3.1771000000e-03 -7.0311000000e-03  4.5607000000e-03  1.8798000000e-03 -7.2392000000e-03 -2.3160000000e-03 -2.8030000000e-03  1.1049000000e-03  3.6024000000e-03  6.3850000000e-04  4.3153000000e-03 -2.1478000000e-03  3.0602000000e-03
+
+JOB 20
+COORDS -1.2389100000e-01  5.5870200000e-01  1.3445590000e+00 -3.4887900000e-01  3.6375700000e-01  4.3482900000e-01  1.5765900000e-01 -2.8112400000e-01  1.7074020000e+00  1.0302800000e-01 -4.3171200000e-01 -1.2738100000e+00 -2.4095600000e-01 -1.3106330000e+00 -1.1144240000e+00  7.2335700000e-01 -5.4375500000e-01 -1.9941370000e+00
+ENERGY -1.526574061606e+02
+FORCES  3.4324000000e-03 -5.1259000000e-03 -1.0455700000e-02 -3.9960000000e-03 -2.2900000000e-04  6.9767000000e-03 -1.4161000000e-03  1.8817000000e-03 -8.1620000000e-04  3.3816000000e-03 -3.3900000000e-04  3.1200000000e-05  1.8775000000e-03  5.1975000000e-03  1.2678000000e-03 -3.2794000000e-03 -1.3852000000e-03  2.9963000000e-03
+
+JOB 21
+COORDS -8.5331600000e-01 -7.2018600000e-01  8.4831200000e-01 -9.4445400000e-01 -5.1807100000e-01 -8.2857000000e-02 -1.7236440000e+00 -5.6279000000e-01  1.2143550000e+00  8.5743100000e-01  7.0744700000e-01 -8.6391200000e-01  1.6871090000e+00  2.4369700000e-01 -9.7706000000e-01  8.8849900000e-01  1.0394600000e+00  3.3325000000e-02
+ENERGY -1.526591138820e+02
+FORCES -1.2570000000e-04  1.6554000000e-03 -6.7350000000e-03 -3.6641000000e-03 -2.6031000000e-03  6.2960000000e-03  3.9301000000e-03  7.6610000000e-04 -2.2477000000e-03  2.3194000000e-03 -2.3598000000e-03  7.5889000000e-03 -3.2898000000e-03  1.9031000000e-03  4.7530000000e-04  8.3010000000e-04  6.3830000000e-04 -5.3775000000e-03
+
+JOB 22
+COORDS  8.5736600000e-01 -1.1106970000e+00 -2.5054000000e-02  1.4760730000e+00 -1.0173300000e+00 -7.4942700000e-01  1.7710400000e-01 -1.6926040000e+00 -3.6396500000e-01 -8.6418200000e-01  1.1941230000e+00  4.7435000000e-02 -2.3970000000e-02  8.2977800000e-01  3.2587300000e-01 -1.5159130000e+00  5.7982200000e-01  3.8524300000e-01
+ENERGY -1.526578636792e+02
+FORCES -3.3458000000e-03 -3.0410000000e-04 -6.2964000000e-03 -2.8868000000e-03 -5.4500000000e-05  3.5989000000e-03  2.9327000000e-03  2.1585000000e-03  2.0764000000e-03  5.7043000000e-03 -1.0617300000e-02  2.6303000000e-03 -3.1233000000e-03  7.0226000000e-03 -2.2950000000e-04  7.1880000000e-04  1.7948000000e-03 -1.7797000000e-03
+
+JOB 23
+COORDS -1.1167980000e+00  5.1954600000e-01  6.1003200000e-01 -1.7929610000e+00  1.1054750000e+00  2.6985100000e-01 -8.6652400000e-01  9.0405100000e-01  1.4501220000e+00  1.1788810000e+00 -5.7535200000e-01 -7.0797600000e-01  1.2259790000e+00 -1.2714220000e+00 -5.2612000000e-02  5.9704300000e-01  7.9139000000e-02 -3.2153400000e-01
+ENERGY -1.526594878274e+02
+FORCES -3.0095000000e-03  2.2546000000e-03  5.0140000000e-04  3.5468000000e-03 -2.5211000000e-03  2.4886000000e-03  5.7700000000e-05 -2.2518000000e-03 -5.2164000000e-03 -1.0153600000e-02  1.7474000000e-03  6.5615000000e-03  9.8680000000e-04  1.9105000000e-03 -1.6888000000e-03  8.5717000000e-03 -1.1396000000e-03 -2.6462000000e-03
+
+JOB 24
+COORDS -2.0857600000e-01 -5.2077100000e-01  1.2635430000e+00 -1.4702000000e-01  1.3692500000e-01  1.9562760000e+00 -7.6052200000e-01 -1.2091890000e+00  1.6345810000e+00  2.9565700000e-01  5.4729400000e-01 -1.3300180000e+00 -4.1328500000e-01  5.7048800000e-01 -1.9727430000e+00 -8.3459000000e-02  1.0517900000e-01 -5.7038800000e-01
+ENERGY -1.526611956716e+02
+FORCES -2.3340000000e-04  1.0443000000e-03  3.1949000000e-03 -1.1206000000e-03 -4.1464000000e-03 -2.5484000000e-03  2.3551000000e-03  3.8194000000e-03 -1.2252000000e-03 -3.6414000000e-03 -4.2549000000e-03  7.2797000000e-03  1.6505000000e-03 -7.2670000000e-04  2.9304000000e-03  9.8980000000e-04  4.2644000000e-03 -9.6314000000e-03
+
+JOB 25
+COORDS  7.3858100000e-01  6.5477600000e-01  9.6194400000e-01  1.0543880000e+00  2.8423800000e-01  1.7860800000e+00  1.2598960000e+00  1.4482750000e+00  8.4020500000e-01 -8.4345800000e-01 -6.9702500000e-01 -9.9314800000e-01 -2.7016300000e-01 -8.2968700000e-01 -1.7481080000e+00 -2.9581600000e-01 -2.4282000000e-01 -3.5282200000e-01
+ENERGY -1.526615031665e+02
+FORCES  1.2082000000e-03  3.6010000000e-04  1.2738000000e-03 -5.1500000000e-04  3.0092000000e-03 -3.7532000000e-03 -1.6031000000e-03 -4.1567000000e-03  1.4709000000e-03  7.6275000000e-03  4.6750000000e-03  5.5215000000e-03 -1.3502000000e-03  8.3130000000e-04  2.2958000000e-03 -5.3675000000e-03 -4.7189000000e-03 -6.8088000000e-03
+
+JOB 26
+COORDS -2.0659700000e-01 -1.2707970000e+00  5.7031200000e-01  1.0918500000e-01 -2.1247040000e+00  8.6587100000e-01 -6.7024000000e-01 -1.4559190000e+00 -2.4638700000e-01  1.8159300000e-01  1.3381670000e+00 -5.9188200000e-01  5.8133200000e-01  2.0238690000e+00 -5.6855000000e-02  4.1157400000e-01  5.2224100000e-01 -1.4735400000e-01
+ENERGY -1.526607520348e+02
+FORCES -1.9833000000e-03 -4.0289000000e-03 -1.7860000000e-03 -2.2629000000e-03  3.5560000000e-03 -1.6892000000e-03  4.1319000000e-03  9.4170000000e-04  4.2794000000e-03  1.3705000000e-03 -5.0649000000e-03  6.7957000000e-03 -9.0620000000e-04 -2.5441000000e-03 -1.4072000000e-03 -3.5000000000e-04  7.1403000000e-03 -6.1927000000e-03
+
+JOB 27
+COORDS -3.6155500000e-01  1.2899980000e+00 -3.5618000000e-01  2.0638600000e-01  2.0534800000e+00 -4.5996400000e-01 -1.2491790000e+00  1.6376280000e+00 -4.4282700000e-01  3.4947600000e-01 -1.4199490000e+00  3.6270000000e-01  1.3986400000e-01 -6.1443700000e-01 -1.0999900000e-01  1.0913870000e+00 -1.1850150000e+00  9.2001900000e-01
+ENERGY -1.526605379446e+02
+FORCES -1.5045000000e-03  2.2382000000e-03  3.1340000000e-04 -3.1977000000e-03 -3.0833000000e-03  8.7170000000e-04  4.6928000000e-03 -3.4960000000e-04  1.0470000000e-04 -3.9540000000e-04  1.0808800000e-02 -7.2370000000e-04  2.0130000000e-03 -8.5456000000e-03  1.0315000000e-03 -1.6083000000e-03 -1.0684000000e-03 -1.5975000000e-03
+
+JOB 28
+COORDS -4.7442500000e-01  1.3807340000e+00 -4.4539300000e-01  4.4722900000e-01  1.1923810000e+00 -6.2233500000e-01 -8.3878100000e-01  5.4460300000e-01 -1.5494100000e-01  4.7513400000e-01 -1.3106860000e+00  3.8149500000e-01 -1.7350900000e-01 -1.9914870000e+00  5.6039100000e-01  5.4131400000e-01 -8.2091400000e-01  1.2012360000e+00
+ENERGY -1.526573724730e+02
+FORCES  4.6584000000e-03 -1.0318700000e-02 -9.8910000000e-04 -2.1412000000e-03  3.7016000000e-03  1.3039000000e-03 -2.6828000000e-03  4.9374000000e-03  1.7772000000e-03 -2.8620000000e-04 -1.6488000000e-03  4.2746000000e-03  2.0256000000e-03  4.7239000000e-03 -9.2930000000e-04 -1.5737000000e-03 -1.3953000000e-03 -5.4373000000e-03
+
+JOB 29
+COORDS  2.0187800000e-01 -1.4666480000e+00 -1.6740000000e-02 -2.2528400000e-01 -6.2947700000e-01  1.6467000000e-01 -5.0537300000e-01 -2.1104470000e+00  2.2637000000e-02 -9.1228000000e-02  1.4016490000e+00  3.1427000000e-02 -1.4671200000e-01  1.7342780000e+00 -8.6440300000e-01 -7.4392900000e-01  1.9070730000e+00  5.1594800000e-01
+ENERGY -1.526600300520e+02
+FORCES -2.7224000000e-03  7.4435000000e-03  1.0693000000e-03 -7.9060000000e-04 -1.0678100000e-02  5.4000000000e-05  1.7002000000e-03  3.5392000000e-03 -4.4300000000e-05 -1.5850000000e-04  4.1940000000e-03 -3.3048000000e-03 -6.0890000000e-04 -9.0280000000e-04  4.9133000000e-03  2.5803000000e-03 -3.5958000000e-03 -2.6876000000e-03
+
+JOB 30
+COORDS  1.3434920000e+00  6.2874600000e-01  5.0667000000e-02  1.6251510000e+00  1.2424780000e+00 -6.2773800000e-01  3.8863900000e-01  6.1934000000e-01 -1.5666000000e-02 -1.2654510000e+00 -6.0158600000e-01 -2.0183000000e-02 -2.1895270000e+00 -7.6040300000e-01 -2.1278000000e-01 -9.5653600000e-01 -1.4210760000e+00  3.6613200000e-01
+ENERGY -1.526609242581e+02
+FORCES -7.2964000000e-03 -1.4110000000e-04 -2.9486000000e-03 -1.5811000000e-03 -1.8818000000e-03  2.0345000000e-03  8.6412000000e-03  2.8802000000e-03  1.0064000000e-03 -7.0030000000e-04 -3.9940000000e-03  7.9570000000e-04  4.1045000000e-03 -5.4830000000e-04  9.0110000000e-04 -3.1679000000e-03  3.6851000000e-03 -1.7890000000e-03
+
+JOB 31
+COORDS  1.2298680000e+00 -5.0350700000e-01  4.6882500000e-01  1.6413010000e+00 -1.0954040000e+00  1.0985960000e+00  1.6223970000e+00 -7.3745700000e-01 -3.7225800000e-01 -1.3299960000e+00  5.7284500000e-01 -4.3281500000e-01 -6.1567900000e-01  7.0142000000e-02 -4.1315000000e-02 -1.0571640000e+00  7.1111500000e-01 -1.3398300000e+00
+ENERGY -1.526597306192e+02
+FORCES  3.2988000000e-03 -2.7882000000e-03  4.3500000000e-04 -9.8090000000e-04  2.7143000000e-03 -3.7809000000e-03 -3.2361000000e-03  1.2204000000e-03  3.8594000000e-03  9.0585000000e-03 -2.9599000000e-03  1.8047000000e-03 -7.8423000000e-03  2.7219000000e-03 -4.9057000000e-03 -2.9790000000e-04 -9.0850000000e-04  2.5876000000e-03
+
+JOB 32
+COORDS  7.5129200000e-01  9.3942600000e-01 -7.8454800000e-01  1.5958950000e+00  8.7062200000e-01 -3.3941600000e-01  4.8310300000e-01  1.8485630000e+00 -6.5121800000e-01 -8.4908000000e-01 -9.7733700000e-01  7.8612000000e-01 -3.4655600000e-01 -1.7842280000e+00  6.7374600000e-01 -3.3814400000e-01 -3.1053400000e-01  3.2726200000e-01
+ENERGY -1.526609495469e+02
+FORCES  2.8144000000e-03  5.0872000000e-03  3.6920000000e-04 -5.4985000000e-03 -6.9590000000e-04 -1.3817000000e-03  1.7439000000e-03 -4.9900000000e-03 -9.0500000000e-05  6.1599000000e-03  4.1129000000e-03 -7.2477000000e-03 -8.7690000000e-04  2.7697000000e-03  6.3120000000e-04 -4.3427000000e-03 -6.2839000000e-03  7.7195000000e-03
+
+JOB 33
+COORDS  1.2605500000e+00  3.2611200000e-01  6.4249200000e-01  1.5351780000e+00  1.0994470000e+00  1.1352030000e+00  7.5345200000e-01 -1.9007700000e-01  1.2690960000e+00 -1.2968050000e+00 -3.0384100000e-01 -7.1562800000e-01 -4.9592800000e-01 -8.3677000000e-02 -2.3986000000e-01 -1.1323680000e+00 -1.1772480000e+00 -1.0710890000e+00
+ENERGY -1.526581176736e+02
+FORCES  1.3766000000e-03  3.2220000000e-03  5.0441000000e-03 -9.5510000000e-04 -4.4621000000e-03 -1.6215000000e-03 -8.4970000000e-04  3.1438000000e-03 -7.7095000000e-03  8.7025000000e-03  8.4970000000e-04 -3.0150000000e-04 -7.8591000000e-03 -5.5563000000e-03  2.4679000000e-03 -4.1520000000e-04  2.8030000000e-03  2.1206000000e-03
+
+JOB 34
+COORDS -8.1953600000e-01 -1.2947660000e+00 -1.0791100000e-01 -9.0756000000e-02 -7.4223000000e-01 -3.9042700000e-01 -1.3849390000e+00 -7.0797300000e-01  3.9431000000e-01  7.5716800000e-01  1.2470820000e+00  1.2915900000e-01  1.6420200000e+00  1.1515600000e+00  4.8149900000e-01  8.5261800000e-01  1.0784900000e+00 -8.0823000000e-01
+ENERGY -1.526558934071e+02
+FORCES  2.8428000000e-03  1.0128000000e-02  4.4674000000e-03 -3.1930000000e-04 -3.4070000000e-03 -5.2376000000e-03 -3.1600000000e-04 -3.8552000000e-03 -1.8881000000e-03  4.6463000000e-03  9.4850000000e-04 -9.3380000000e-04 -4.5333000000e-03  4.9600000000e-05 -2.2789000000e-03 -2.3205000000e-03 -3.8640000000e-03  5.8710000000e-03
+
+JOB 35
+COORDS -4.7757300000e-01  5.3434800000e-01 -1.2262700000e+00 -7.1455400000e-01  1.4086880000e+00 -1.5354640000e+00 -1.0460650000e+00 -5.6942000000e-02 -1.7196510000e+00  5.7064100000e-01 -5.9406900000e-01  1.2863290000e+00  4.7627600000e-01 -7.2345000000e-02  4.8937800000e-01 -1.7159400000e-01 -3.3469000000e-01  1.8322610000e+00
+ENERGY -1.526608637789e+02
+FORCES -3.0401000000e-03 -7.2890000000e-04 -2.8320000000e-03  3.3230000000e-04 -4.3744000000e-03  1.3184000000e-03  1.9596000000e-03  4.0478000000e-03  1.5106000000e-03 -5.4429000000e-03  5.1967000000e-03 -6.4038000000e-03  3.9521000000e-03 -3.0654000000e-03  7.4175000000e-03  2.2390000000e-03 -1.0759000000e-03 -1.0106000000e-03
+
+JOB 36
+COORDS -1.3666430000e+00 -2.5461100000e-01 -4.8371100000e-01 -2.0567860000e+00  2.8812000000e-01 -8.6499300000e-01 -7.1836600000e-01 -3.4424400000e-01 -1.1822340000e+00  1.4244350000e+00  2.2600400000e-01  5.8538900000e-01  1.1910910000e+00  9.0085100000e-01 -5.2078000000e-02  6.9629900000e-01 -3.9459600000e-01  5.5528800000e-01
+ENERGY -1.526558331388e+02
+FORCES -1.9089000000e-03  2.2246000000e-03 -3.9603000000e-03  3.7126000000e-03 -2.2607000000e-03  9.8600000000e-04 -9.8010000000e-04  1.3272000000e-03  5.7615000000e-03 -9.0537000000e-03  1.3107000000e-03 -8.3410000000e-04  2.1958000000e-03 -2.5615000000e-03  2.2940000000e-04  6.0344000000e-03 -4.0300000000e-05 -2.1826000000e-03
+
+JOB 37
+COORDS  4.0528500000e-01 -1.2231330000e+00 -8.4620500000e-01  3.1449200000e-01 -8.9198400000e-01  4.7288000000e-02 -4.9439400000e-01 -1.3398800000e+00 -1.1514570000e+00 -4.0979300000e-01  1.1741900000e+00  8.0387900000e-01  2.3459700000e-01  1.2119610000e+00  1.5106790000e+00 -3.2894000000e-02  1.7107970000e+00  1.0657600000e-01
+ENERGY -1.526582778448e+02
+FORCES -6.9526000000e-03  5.0882000000e-03  5.2771000000e-03  4.1737000000e-03 -5.0419000000e-03 -2.7324000000e-03  3.4132000000e-03 -3.0360000000e-04 -1.9200000000e-04  3.9050000000e-03  4.4766000000e-03 -2.4279000000e-03 -2.5173000000e-03 -2.4186000000e-03 -4.0970000000e-03 -2.0221000000e-03 -1.8007000000e-03  4.1722000000e-03
+
+JOB 38
+COORDS -6.3839500000e-01  7.9111600000e-01  1.0636290000e+00 -8.1424000000e-01  1.2688670000e+00  1.8742240000e+00 -1.4067860000e+00  2.3336900000e-01  9.4227500000e-01  6.9957200000e-01 -8.4028600000e-01 -1.0723980000e+00  4.1074800000e-01  8.6410000000e-03 -7.3753200000e-01  8.0628300000e-01 -7.0326800000e-01 -2.0137120000e+00
+ENERGY -1.526595539715e+02
+FORCES -3.0800000000e-03 -8.3140000000e-04  4.4843000000e-03 -3.1580000000e-04 -2.6004000000e-03 -3.0738000000e-03  3.3890000000e-03  3.8092000000e-03  2.3530000000e-04 -3.0180000000e-04  5.5689000000e-03  9.2330000000e-04  1.0607000000e-03 -5.9525000000e-03 -6.3160000000e-03 -7.5210000000e-04  6.1000000000e-06  3.7469000000e-03
+
+JOB 39
+COORDS -2.5403100000e-01 -1.3836170000e+00  4.9006800000e-01  5.3331500000e-01 -1.4155450000e+00  1.0334830000e+00 -9.5820200000e-01 -1.6722420000e+00  1.0706460000e+00  3.1615300000e-01  1.4164790000e+00 -5.4351000000e-01 -3.5974700000e-01  1.9424130000e+00 -9.7104400000e-01 -1.3502300000e-01  6.1471400000e-01 -2.7922700000e-01
+ENERGY -1.526612455936e+02
+FORCES  1.5535000000e-03 -3.5999000000e-03  5.3517000000e-03 -4.6831000000e-03  1.7030000000e-04 -2.3635000000e-03  3.4222000000e-03  1.5405000000e-03 -2.5836000000e-03 -4.5106000000e-03 -5.6744000000e-03  3.5490000000e-04  1.7048000000e-03 -2.2733000000e-03  1.7392000000e-03  2.5132000000e-03  9.8368000000e-03 -2.4987000000e-03
+
+JOB 40
+COORDS -7.3078800000e-01 -1.0458240000e+00 -7.6719800000e-01 -1.2234240000e+00 -1.3990870000e+00 -2.6423000000e-02 -1.3837950000e+00 -9.3347100000e-01 -1.4579880000e+00  8.5002700000e-01  1.0735030000e+00  8.1040300000e-01  7.4633700000e-01  2.8718000000e-01  2.7451400000e-01  7.4070000000e-02  1.5996220000e+00  6.1722100000e-01
+ENERGY -1.526598064015e+02
+FORCES -5.2387000000e-03 -1.5570000000e-03 -7.1160000000e-04  2.3663000000e-03  2.2895000000e-03 -3.7297000000e-03  2.2297000000e-03 -5.9820000000e-04  3.7360000000e-03 -5.7750000000e-03 -3.8198000000e-03 -6.5080000000e-03  3.9973000000e-03  4.0388000000e-03  5.5053000000e-03  2.4205000000e-03 -3.5330000000e-04  1.7079000000e-03
+
+JOB 41
+COORDS -1.3562370000e+00  5.7146600000e-01 -1.4911500000e-01 -2.1133680000e+00  3.6959100000e-01  4.0064100000e-01 -1.5394690000e+00  1.4433160000e+00 -4.9916400000e-01  1.4671590000e+00 -6.4171000000e-01  1.6938300000e-01  9.7780900000e-01  1.3319000000e-01  4.4560400000e-01  1.0430510000e+00 -9.1616300000e-01 -6.4366000000e-01
+ENERGY -1.526589923772e+02
+FORCES -5.5205000000e-03  1.5665000000e-03  1.0310000000e-03  3.1827000000e-03  1.5814000000e-03 -2.8106000000e-03  1.4638000000e-03 -4.0898000000e-03  1.9692000000e-03 -9.0772000000e-03  3.2302000000e-03 -2.6893000000e-03  6.1449000000e-03 -1.6477000000e-03  7.9880000000e-04  3.8064000000e-03 -6.4060000000e-04  1.7008000000e-03
+
+JOB 42
+COORDS -4.8943000000e-02 -1.1111560000e+00  1.0648890000e+00  6.7819800000e-01 -1.5822820000e+00  1.4717530000e+00 -7.9679000000e-02 -1.4452130000e+00  1.6840000000e-01  3.9010000000e-02  1.2175330000e+00 -1.0132180000e+00 -7.4958000000e-01  7.7800400000e-01 -6.9514100000e-01  3.7521000000e-01  6.4063800000e-01 -1.6990700000e+00
+ENERGY -1.526522116919e+02
+FORCES  5.1682000000e-03 -1.4984000000e-03 -1.8887000000e-03 -3.1175000000e-03  1.5919000000e-03 -1.8962000000e-03 -1.5247000000e-03  2.3018000000e-03  2.4584000000e-03 -1.7348000000e-03 -4.6324000000e-03  2.2200000000e-03  2.6097000000e-03  1.0809000000e-03 -4.1081000000e-03 -1.4008000000e-03  1.1562000000e-03  3.2146000000e-03
+
+JOB 43
+COORDS -1.2681150000e+00 -1.2260900000e-01  7.9030300000e-01 -1.2954510000e+00 -4.5036500000e-01  1.6892250000e+00 -1.9269200000e+00  5.7143800000e-01  7.6778000000e-01  1.3177030000e+00  1.7685600000e-01 -8.3360600000e-01  5.0314000000e-01 -3.2552600000e-01 -8.1539300000e-01  1.9996210000e+00 -4.7711600000e-01 -9.8703300000e-01
+ENERGY -1.526576944948e+02
+FORCES -1.4192000000e-03  2.9447000000e-03  4.6246000000e-03 -6.0900000000e-04  1.3224000000e-03 -3.6651000000e-03  2.4052000000e-03 -3.3035000000e-03  4.5640000000e-04 -4.1558000000e-03 -4.0868000000e-03  1.7914000000e-03  6.5406000000e-03  1.0033000000e-03 -4.4128000000e-03 -2.7618000000e-03  2.1199000000e-03  1.2055000000e-03
+
+JOB 44
+COORDS  4.2524800000e-01 -1.4228930000e+00  1.1880400000e-01 -1.0804000000e-02 -2.1325410000e+00  5.9049300000e-01  1.1582170000e+00 -1.8464920000e+00 -3.2790800000e-01 -4.6036100000e-01  1.5245440000e+00 -6.5631000000e-02 -1.6525900000e-01  6.1759700000e-01 -1.4683200000e-01 -4.7134000000e-01  1.8546910000e+00 -9.6402600000e-01
+ENERGY -1.526610235645e+02
+FORCES  8.9000000000e-04 -5.3406000000e-03  1.4420000000e-03  2.9431000000e-03  2.1496000000e-03 -2.5659000000e-03 -3.6302000000e-03  1.3728000000e-03  1.9815000000e-03  1.9987000000e-03 -6.3896000000e-03 -2.3816000000e-03 -2.5734000000e-03  9.6031000000e-03 -1.2790000000e-03  3.7180000000e-04 -1.3953000000e-03  2.8030000000e-03
+
+JOB 45
+COORDS -2.4092800000e-01  4.2187200000e-01  1.4810470000e+00  1.9517900000e-01  6.2552200000e-01  2.3084340000e+00 -1.9505400000e-01 -5.3187300000e-01  1.4139780000e+00  2.6005300000e-01 -3.8071800000e-01 -1.4765070000e+00  2.0972000000e-01 -9.7858000000e-01 -2.2223350000e+00 -5.0249700000e-01  1.8955300000e-01 -1.5741780000e+00
+ENERGY -1.526556784947e+02
+FORCES  3.4548000000e-03 -4.1843000000e-03  9.6140000000e-04 -1.5541000000e-03 -9.7230000000e-04 -3.3242000000e-03 -1.5852000000e-03  3.8994000000e-03  2.9732000000e-03 -3.6504000000e-03  2.6121000000e-03 -3.0630000000e-03  2.8030000000e-04  2.2532000000e-03  3.8426000000e-03  3.0546000000e-03 -3.6081000000e-03 -1.3900000000e-03
+
+JOB 46
+COORDS  4.0365600000e-01  1.2696420000e+00 -8.1879500000e-01  3.5395000000e-02  2.0536360000e+00 -1.2261880000e+00  7.7511000000e-02  5.4567200000e-01 -1.3533310000e+00 -3.6566500000e-01 -1.2484090000e+00  9.4163300000e-01  3.8425200000e-01 -1.5495850000e+00  4.2865200000e-01 -1.1084110000e+00 -1.3124870000e+00  3.4125400000e-01
+ENERGY -1.526510476661e+02
+FORCES -3.3280000000e-03 -2.0720000000e-04 -2.4116000000e-03  1.2318000000e-03 -3.6125000000e-03  2.1635000000e-03  1.5702000000e-03  1.7544000000e-03  1.7026000000e-03  1.1049000000e-03  1.1809000000e-03 -3.9771000000e-03 -3.8762000000e-03  6.3530000000e-04  1.1398000000e-03  3.2972000000e-03  2.4910000000e-04  1.3828000000e-03
+
+JOB 47
+COORDS -4.1602000000e-02  1.5989850000e+00  4.1794700000e-01 -5.9075000000e-02  7.3943300000e-01 -2.8830000000e-03 -6.9896900000e-01  1.5401730000e+00  1.1112310000e+00  1.2083500000e-01 -1.4942060000e+00 -4.4904300000e-01 -4.9300200000e-01 -1.9999240000e+00 -9.8166400000e-01  4.1585000000e-02 -1.8680640000e+00  4.2855700000e-01
+ENERGY -1.526598865909e+02
+FORCES -1.8978000000e-03 -6.6177000000e-03 -1.0420000000e-03 -8.5320000000e-04  8.7378000000e-03  3.8233000000e-03  2.3100000000e-03 -1.0050000000e-04 -2.0422000000e-03 -1.7474000000e-03 -6.7934000000e-03  4.0910000000e-04  2.7593000000e-03  2.1615000000e-03  3.0663000000e-03 -5.7100000000e-04  2.6122000000e-03 -4.2145000000e-03
+
+JOB 48
+COORDS  5.0550100000e-01  1.3148670000e+00 -6.8066000000e-01  4.5109900000e-01  2.2704790000e+00 -6.7185700000e-01  1.4402910000e+00  1.1269230000e+00 -5.9654200000e-01 -5.9814200000e-01 -1.4044380000e+00  6.6111800000e-01 -3.4057000000e-01 -6.8675200000e-01  8.2486000000e-02 -5.6825000000e-02 -1.2891370000e+00  1.4420870000e+00
+ENERGY -1.526592773583e+02
+FORCES  2.7655000000e-03  5.9670000000e-03 -5.3070000000e-04  1.5266000000e-03 -4.0099000000e-03 -2.4830000000e-04 -4.9142000000e-03  1.1810000000e-04  5.3370000000e-04  2.6611000000e-03  6.7924000000e-03 -4.8830000000e-04 -6.4430000000e-04 -7.9197000000e-03  3.2425000000e-03 -1.3947000000e-03 -9.4790000000e-04 -2.5088000000e-03
+
+JOB 49
+COORDS -3.1680000000e-02 -1.3874890000e+00 -9.2315500000e-01  2.0226900000e-01 -1.9900070000e+00 -2.1713000000e-01 -3.3696600000e-01 -5.9900100000e-01 -4.7446900000e-01  6.1876000000e-02  1.3123210000e+00  8.5881800000e-01 -6.0739600000e-01  1.7321720000e+00  1.3992180000e+00  2.8199200000e-01  1.9678990000e+00  1.9700500000e-01
+ENERGY -1.526598580093e+02
+FORCES  5.2910000000e-04  3.5669000000e-03  7.1705000000e-03 -9.9660000000e-04  1.1519000000e-03 -2.7762000000e-03 -5.3040000000e-04 -6.1613000000e-03 -5.7774000000e-03 -1.5260000000e-04  6.8349000000e-03  1.0089000000e-03  3.0811000000e-03 -2.0303000000e-03 -2.7583000000e-03 -1.9307000000e-03 -3.3621000000e-03  3.1326000000e-03
+
+JOB 50
+COORDS -1.6231900000e-01  7.1726700000e-01  1.4113420000e+00  1.9751300000e-01  6.5510000000e-02  2.0129780000e+00  2.0608600000e-01  1.5487440000e+00  1.7099310000e+00  8.8503000000e-02 -7.4212800000e-01 -1.5206190000e+00  3.3816900000e-01  1.3985400000e-01 -1.2449260000e+00  3.9400900000e-01 -1.3101490000e+00 -8.1333500000e-01
+ENERGY -1.526559845381e+02
+FORCES  1.5177000000e-03  9.1090000000e-04  5.6406000000e-03 -1.1298000000e-03  2.5052000000e-03 -3.5364000000e-03 -1.4033000000e-03 -3.8900000000e-03 -2.1170000000e-03  7.0410000000e-04  3.3923000000e-03  7.7086000000e-03  6.6010000000e-04 -3.0730000000e-03 -4.6064000000e-03 -3.4880000000e-04  1.5460000000e-04 -3.0894000000e-03
+
+JOB 51
+COORDS  2.9759600000e-01  8.4758800000e-01  1.4579590000e+00 -3.3826200000e-01  7.1205200000e-01  7.5543100000e-01  8.9349800000e-01  1.0163400000e-01  1.3895080000e+00 -3.0894500000e-01 -7.6710000000e-01 -1.3471400000e+00 -8.8390800000e-01 -7.8897500000e-01 -2.1121050000e+00  4.9980300000e-01 -1.1851530000e+00 -1.6427610000e+00
+ENERGY -1.526583807685e+02
+FORCES -1.1125000000e-03 -5.2893000000e-03 -6.1666000000e-03  1.4262000000e-03  3.2694000000e-03  5.7042000000e-03 -6.3320000000e-04  2.7181000000e-03  1.3852000000e-03  1.1737000000e-03 -2.2867000000e-03 -5.6305000000e-03  2.7415000000e-03  3.0800000000e-05  3.2195000000e-03 -3.5957000000e-03  1.5577000000e-03  1.4882000000e-03
+
+JOB 52
+COORDS  5.4581400000e-01  8.4638400000e-01  1.3359270000e+00 -3.3476400000e-01  9.7839900000e-01  1.6871910000e+00  5.6170500000e-01  1.3604060000e+00  5.2861000000e-01 -5.4957000000e-01 -8.9364900000e-01 -1.2958210000e+00 -1.3793800000e-01 -6.8710400000e-01 -2.1349450000e+00  1.7988300000e-01 -9.5332100000e-01 -6.7891900000e-01
+ENERGY -1.526575639347e+02
+FORCES -5.6352000000e-03  3.8877000000e-03 -1.4262000000e-03  4.2030000000e-03 -1.5530000000e-04 -7.6010000000e-04  1.3449000000e-03 -2.8381000000e-03  3.1887000000e-03  4.9559000000e-03 -8.3800000000e-04  8.2630000000e-04 -1.4533000000e-03  1.0370000000e-04  3.8101000000e-03 -3.4154000000e-03 -1.6000000000e-04 -5.6388000000e-03
+
+JOB 53
+COORDS  9.5429900000e-01  5.2020100000e-01 -1.2409490000e+00  1.4376560000e+00  1.3226360000e+00 -1.4376630000e+00  1.6109070000e+00 -7.1535000000e-02 -8.7360000000e-01 -1.0775160000e+00 -5.6647200000e-01  1.2522510000e+00 -9.8598400000e-01 -1.1907900000e-01  4.1100600000e-01 -2.3877700000e-01 -4.2564300000e-01  1.6914720000e+00
+ENERGY -1.526580919920e+02
+FORCES  6.1633000000e-03  1.2109000000e-03 -1.4533000000e-03 -1.7989000000e-03 -3.8287000000e-03  1.0920000000e-03 -3.3000000000e-03  3.1933000000e-03 -6.6580000000e-04  4.4097000000e-03  3.9188000000e-03 -3.7633000000e-03 -2.9043000000e-03 -3.1567000000e-03  5.6460000000e-03 -2.5698000000e-03 -1.3376000000e-03 -8.5560000000e-04
+
+JOB 54
+COORDS  1.1235580000e+00  4.6320500000e-01 -1.1806500000e+00  1.2203470000e+00  9.2271000000e-02 -3.0356900000e-01  1.5717050000e+00 -1.5795900000e-01 -1.7547160000e+00 -1.1569330000e+00 -4.5614500000e-01  1.2088200000e+00 -8.7096100000e-01  4.5146200000e-01  1.3122740000e+00 -1.4181010000e+00 -5.2225900000e-01  2.9031400000e-01
+ENERGY -1.526575066636e+02
+FORCES  3.4581000000e-03 -4.6847000000e-03  1.3666000000e-03 -4.6680000000e-04  3.2167000000e-03 -4.4518000000e-03 -2.0416000000e-03  2.4586000000e-03  2.3543000000e-03 -2.1835000000e-03  4.4410000000e-03 -4.3340000000e-03  3.6650000000e-04 -4.5729000000e-03  1.8040000000e-04  8.6720000000e-04 -8.5860000000e-04  4.8845000000e-03
+
+JOB 55
+COORDS  8.3410000000e-03 -1.2609080000e+00 -1.1702690000e+00  4.6106300000e-01 -2.0726920000e+00 -9.4161800000e-01 -2.1358800000e-01 -8.6440300000e-01 -3.2779500000e-01 -5.8201000000e-02  1.2318450000e+00  1.1038520000e+00  7.5184600000e-01  1.4635750000e+00  1.5581180000e+00 -3.1605300000e-01  2.0336100000e+00  6.4897200000e-01
+ENERGY -1.526589424262e+02
+FORCES  6.0090000000e-04  6.3880000000e-04  5.8363000000e-03 -1.3907000000e-03  3.0053000000e-03 -6.7800000000e-04  2.8810000000e-04 -5.7557000000e-03 -5.8760000000e-03  2.8392000000e-03  6.0797000000e-03 -1.8130000000e-04 -3.5810000000e-03 -8.0430000000e-04 -1.7259000000e-03  1.2436000000e-03 -3.1638000000e-03  2.6250000000e-03
+
+JOB 56
+COORDS  1.0592910000e+00 -4.4117600000e-01  1.2542320000e+00  9.8801600000e-01  5.0127800000e-01  1.1028000000e+00  1.9639920000e+00 -6.5338900000e-01  1.0246380000e+00 -1.1674850000e+00  3.7848300000e-01 -1.2552450000e+00 -4.4034800000e-01 -2.2300300000e-01 -1.0948770000e+00 -8.3479000000e-01  1.2345110000e+00 -9.8550200000e-01
+ENERGY -1.526548927330e+02
+FORCES  4.2074000000e-03  3.0835000000e-03  1.6848000000e-03 -5.4800000000e-05 -4.2349000000e-03 -1.2359000000e-03 -4.6732000000e-03  1.0208000000e-03  1.7760000000e-04  4.4754000000e-03 -8.0050000000e-04  3.1639000000e-03 -3.3009000000e-03  3.9252000000e-03 -3.3357000000e-03 -6.5380000000e-04 -2.9940000000e-03 -4.5470000000e-04
+
+JOB 57
+COORDS -8.7393900000e-01 -8.6656900000e-01  1.3026710000e+00  5.0675000000e-02 -7.3404300000e-01  1.0934860000e+00 -1.3198730000e+00 -1.1993900000e-01  9.0277200000e-01  8.4230100000e-01  7.5370600000e-01 -1.2894980000e+00  1.5032100000e-01  1.3786720000e+00 -1.0731330000e+00  1.6551260000e+00  1.2130510000e+00 -1.0784260000e+00
+ENERGY -1.526553429898e+02
+FORCES  3.3404000000e-03  3.1810000000e-03 -5.0043000000e-03 -3.9900000000e-03 -8.7700000000e-04  3.7931000000e-03  8.6090000000e-04 -1.7524000000e-03  1.9414000000e-03  1.1856000000e-03  5.7014000000e-03 -9.8160000000e-04  2.4983000000e-03 -3.7229000000e-03  5.5490000000e-04 -3.8952000000e-03 -2.5301000000e-03 -3.0350000000e-04
+
+JOB 58
+COORDS -4.8095200000e-01 -1.0033710000e+00  1.2894040000e+00  2.8812400000e-01 -6.5531900000e-01  1.7406400000e+00 -1.1445380000e+00 -1.0851300000e+00  1.9743870000e+00  5.2499800000e-01  1.0370650000e+00 -1.3226440000e+00  1.0087300000e-01  9.5409500000e-01 -2.1767320000e+00  1.5485700000e-01  3.2515000000e-01 -8.0072000000e-01
+ENERGY -1.526590246033e+02
+FORCES -7.4850000000e-04  2.9270000000e-04  6.8643000000e-03 -3.7781000000e-03 -1.4547000000e-03 -2.7420000000e-03  3.2654000000e-03  1.2700000000e-05 -2.3348000000e-03 -4.2958000000e-03 -4.3214000000e-03 -1.9160000000e-04  1.5010000000e-03  4.4010000000e-04  2.9804000000e-03  4.0561000000e-03  5.0305000000e-03 -4.5762000000e-03
+
+JOB 59
+COORDS -1.5178900000e+00 -3.7740300000e-01 -8.1278500000e-01 -1.5559480000e+00  4.7790700000e-01 -1.2408370000e+00 -1.7061120000e+00 -1.9374400000e-01  1.0758100000e-01  1.5622740000e+00  3.6192200000e-01  8.0674600000e-01  1.0622260000e+00  3.5021300000e-01 -9.3700000000e-03  1.3955630000e+00 -4.9347700000e-01  1.2026400000e+00
+ENERGY -1.526571620181e+02
+FORCES -4.3023000000e-03  4.1698000000e-03  1.7824000000e-03  1.5128000000e-03 -3.9729000000e-03  2.1163000000e-03  1.7745000000e-03 -1.2484000000e-03 -4.3806000000e-03 -2.9089000000e-03 -5.1372000000e-03 -3.2194000000e-03  3.2700000000e-03  2.4657000000e-03  4.1724000000e-03  6.5390000000e-04  3.7229000000e-03 -4.7110000000e-04
+
+JOB 60
+COORDS -4.6461900000e-01 -6.6630700000e-01  1.5124730000e+00 -1.9078600000e-01  1.9757000000e-02  2.1212120000e+00 -1.3070710000e+00 -9.6711300000e-01  1.8530910000e+00  5.3603600000e-01  6.2476000000e-01 -1.5214960000e+00 -4.1734000000e-01  5.5203600000e-01 -1.5664160000e+00  7.7561500000e-01  1.1247160000e+00 -2.3018020000e+00
+ENERGY -1.526537681009e+02
+FORCES -7.7870000000e-04  1.9621000000e-03  4.5350000000e-03 -1.6959000000e-03 -3.1690000000e-03 -1.9721000000e-03  3.3535000000e-03  1.4150000000e-03 -2.1973000000e-03 -3.8974000000e-03  5.5000000000e-04 -2.4159000000e-03  3.8614000000e-03  1.3072000000e-03 -1.5289000000e-03 -8.4290000000e-04 -2.0652000000e-03  3.5794000000e-03
+
+JOB 61
+COORDS -9.2819500000e-01  1.6198080000e+00 -7.4650000000e-03 -5.8214100000e-01  7.2995100000e-01  6.0605000000e-02 -1.8524990000e+00  1.5017560000e+00 -2.2645500000e-01  9.9253800000e-01 -1.5475610000e+00  7.2761000000e-02  8.7870500000e-01 -1.0526010000e+00 -7.3858900000e-01  5.2350900000e-01 -2.3680820000e+00 -7.8861000000e-02
+ENERGY -1.526556295994e+02
+FORCES -2.2203000000e-03 -4.3651000000e-03  1.3753000000e-03 -1.9912000000e-03  5.0548000000e-03 -3.4558000000e-03  3.8370000000e-03  3.1580000000e-04  5.9650000000e-04  2.7330000000e-04 -4.0032000000e-03 -4.5203000000e-03 -1.7539000000e-03 -1.0617000000e-03  5.3705000000e-03  1.8552000000e-03  4.0594000000e-03  6.3380000000e-04
+
+JOB 62
+COORDS  1.5783990000e+00 -8.1045600000e-01 -5.9004800000e-01  1.7543300000e+00  8.5605000000e-02 -3.0307200000e-01  1.2056670000e+00 -7.1300500000e-01 -1.4662930000e+00 -1.5219030000e+00  8.1209100000e-01  6.4221600000e-01 -1.8438230000e+00  7.9283000000e-02  1.1671850000e+00 -1.9466770000e+00  7.0268300000e-01 -2.0856600000e-01
+ENERGY -1.526548058547e+02
+FORCES -2.0408000000e-03  5.4006000000e-03 -1.2262000000e-03  9.2050000000e-04 -4.0140000000e-03 -1.9193000000e-03  1.3656000000e-03 -8.0000000000e-04  2.9597000000e-03 -2.7296000000e-03 -4.8347000000e-03 -7.9520000000e-04  5.1350000000e-04  3.4988000000e-03 -2.0245000000e-03  1.9707000000e-03  7.4930000000e-04  3.0055000000e-03
+
+JOB 63
+COORDS -1.7314340000e+00 -4.2323600000e-01 -3.5185500000e-01 -1.4793890000e+00 -1.2898590000e+00 -3.2997000000e-02 -2.3969770000e+00 -5.9667400000e-01 -1.0175900000e+00  1.7970240000e+00  4.6201500000e-01  3.2424200000e-01  1.4686580000e+00  1.3422220000e+00  5.0766400000e-01  1.3928530000e+00 -8.9355000000e-02  9.9421900000e-01
+ENERGY -1.526541448640e+02
+FORCES -1.3274000000e-03 -4.4719000000e-03 -2.6915000000e-03 -9.7270000000e-04  3.7122000000e-03 -3.5860000000e-04  2.6363000000e-03  7.2990000000e-04  2.8396000000e-03 -5.2179000000e-03  1.8617000000e-03  2.6534000000e-03  2.5628000000e-03 -3.0508000000e-03 -2.6340000000e-04  2.3189000000e-03  1.2189000000e-03 -2.1796000000e-03
+
+JOB 64
+COORDS  1.1262700000e-01 -1.2873300000e+00 -1.3244620000e+00 -3.5371700000e-01 -1.2423610000e+00 -4.8975700000e-01 -1.9080600000e-01 -2.1018740000e+00 -1.7253100000e+00 -9.3830000000e-02  1.2925100000e+00  1.2489860000e+00  5.9627400000e-01  1.9347770000e+00  1.0832090000e+00 -2.7586600000e-01  1.3721240000e+00  2.1853390000e+00
+ENERGY -1.526560319785e+02
+FORCES -3.3419000000e-03 -1.6653000000e-03  2.9447000000e-03  1.5767000000e-03 -2.8803000000e-03 -4.7773000000e-03  1.1712000000e-03  3.2046000000e-03  1.6781000000e-03  3.0920000000e-03  4.2230000000e-03  2.5702000000e-03 -3.1288000000e-03 -2.2111000000e-03  1.5571000000e-03  6.3080000000e-04 -6.7090000000e-04 -3.9729000000e-03
+
+JOB 65
+COORDS  6.6645300000e-01 -1.7511930000e+00  1.7057000000e-02  9.1899600000e-01 -2.2063750000e+00 -7.8622600000e-01  1.3780290000e+00 -1.9343510000e+00  6.3052600000e-01 -7.3311700000e-01  1.8177220000e+00  4.6461000000e-02 -3.0336000000e-02  2.0133660000e+00 -5.7326000000e-01 -1.1657650000e+00  1.0452700000e+00 -3.1735900000e-01
+ENERGY -1.526553236358e+02
+FORCES  4.5659000000e-03 -3.0263000000e-03  5.7560000000e-04 -1.2878000000e-03  2.4404000000e-03  3.1025000000e-03 -2.7882000000e-03  3.0520000000e-04 -2.9540000000e-03  1.8977000000e-03 -4.6091000000e-03 -3.5620000000e-03 -2.7456000000e-03  1.8430000000e-04  2.1253000000e-03  3.5800000000e-04  4.7055000000e-03  7.1270000000e-04
+
+JOB 66
+COORDS -1.9344930000e+00  4.7919000000e-02 -4.6753200000e-01 -1.3095570000e+00  5.9151600000e-01  1.2249000000e-02 -2.0496760000e+00 -7.2729000000e-01  8.2026000000e-02  1.8898510000e+00 -1.0271500000e-01  4.3600500000e-01  1.9633280000e+00  6.9236600000e-01  9.6390600000e-01  2.0906720000e+00  1.8179400000e-01 -4.5559900000e-01
+ENERGY -1.526554913141e+02
+FORCES  3.5745000000e-03 -1.9806000000e-03  4.6956000000e-03 -3.6219000000e-03 -6.7870000000e-04 -2.1744000000e-03 -5.8340000000e-04  3.1388000000e-03 -2.2327000000e-03  2.9694000000e-03  3.7120000000e-03 -2.2493000000e-03 -1.4905000000e-03 -3.3319000000e-03 -2.3056000000e-03 -8.4810000000e-04 -8.5960000000e-04  4.2664000000e-03
+
+JOB 67
+COORDS -3.6388600000e-01 -1.8978180000e+00  4.5482500000e-01 -1.0763600000e-01 -2.7357810000e+00  6.9618000000e-02 -4.0397000000e-02 -1.9384670000e+00  1.3547890000e+00  2.7804700000e-01  1.9860290000e+00 -4.8947800000e-01  3.4316400000e-01  1.0546920000e+00 -2.7828600000e-01  1.1861460000e+00  2.2832570000e+00 -5.4643600000e-01
+ENERGY -1.526564321971e+02
+FORCES  1.2294000000e-03 -5.4987000000e-03  2.3009000000e-03 -9.4950000000e-04  3.5631000000e-03  1.9198000000e-03 -8.9420000000e-04  6.4410000000e-04 -4.2285000000e-03  3.1076000000e-03 -3.8339000000e-03  4.2080000000e-04  9.2620000000e-04  6.2475000000e-03 -7.3230000000e-04 -3.4196000000e-03 -1.1220000000e-03  3.1930000000e-04
+
+JOB 68
+COORDS  1.3624070000e+00  1.2920720000e+00 -9.2461500000e-01  1.0813370000e+00  3.7726300000e-01 -9.4350600000e-01  5.8207700000e-01  1.7773990000e+00 -6.5670700000e-01 -1.2629980000e+00 -1.2760340000e+00  8.6642300000e-01 -1.7006010000e+00 -1.9661280000e+00  1.3649260000e+00 -1.6187600000e+00 -4.6129000000e-01  1.2211870000e+00
+ENERGY -1.526557042603e+02
+FORCES -4.5823000000e-03 -2.9717000000e-03  1.1388000000e-03  2.0156000000e-03  4.8671000000e-03 -6.9300000000e-04  2.9298000000e-03 -1.3501000000e-03 -7.7600000000e-04 -3.7777000000e-03 -6.4930000000e-04  4.4040000000e-03  1.6374000000e-03  3.0730000000e-03 -1.9659000000e-03  1.7772000000e-03 -2.9689000000e-03 -2.1078000000e-03
+
+JOB 69
+COORDS -8.1114800000e-01  1.7058220000e+00  1.1420480000e+00 -4.0496000000e-01  2.5368640000e+00  1.3882410000e+00 -1.1039000000e-01  1.2135780000e+00  7.1441700000e-01  7.8608500000e-01 -1.6683510000e+00 -1.1348050000e+00  9.9380800000e-01 -2.4991250000e+00 -7.0714000000e-01 -8.5723000000e-02 -1.8013920000e+00 -1.5069380000e+00
+ENERGY -1.526561947294e+02
+FORCES  4.9519000000e-03  8.1890000000e-04 -1.1326000000e-03 -1.6279000000e-03 -3.1950000000e-03 -8.8310000000e-04 -3.5558000000e-03  3.2307000000e-03  2.5161000000e-03 -2.8022000000e-03 -4.9285000000e-03 -2.8490000000e-04 -8.3170000000e-04  3.4667000000e-03 -1.8486000000e-03  3.8656000000e-03  6.0720000000e-04  1.6331000000e-03
+
+JOB 70
+COORDS  1.2065000000e-01 -1.1685210000e+00  1.8556860000e+00 -3.8811100000e-01 -3.6635200000e-01  1.9736660000e+00  9.3811900000e-01 -1.0056350000e+00  2.3262660000e+00 -1.3141700000e-01  1.0844240000e+00 -1.8237000000e+00 -8.5747400000e-01  9.9435300000e-01 -2.4409200000e+00  5.2409900000e-01  1.5964660000e+00 -2.2973500000e+00
+ENERGY -1.526539299566e+02
+FORCES  1.2804000000e-03  4.7485000000e-03  1.0787000000e-03  1.8079000000e-03 -3.6168000000e-03  6.4130000000e-04 -3.1683000000e-03 -8.4060000000e-04 -1.5888000000e-03 -1.6570000000e-04  1.0370000000e-03 -4.7827000000e-03  2.9345000000e-03  6.3860000000e-04  2.5814000000e-03 -2.6888000000e-03 -1.9667000000e-03  2.0701000000e-03
+
+JOB 71
+COORDS -7.1747800000e-01 -8.1047100000e-01  1.9538240000e+00 -7.7719600000e-01 -8.0020500000e-01  2.9091040000e+00 -4.6518700000e-01  8.2663000000e-02  1.7195280000e+00  7.0710200000e-01  7.0564100000e-01 -2.0263880000e+00  1.4718170000e+00  1.2053240000e+00 -1.7404510000e+00 -3.9676000000e-02  1.1787460000e+00 -1.6593380000e+00
+ENERGY -1.526531836030e+02
+FORCES  1.0659000000e-03  3.3524000000e-03  2.8837000000e-03  2.7850000000e-04 -3.5800000000e-05 -4.0313000000e-03 -1.3497000000e-03 -3.1291000000e-03  9.1830000000e-04  4.6000000000e-06  3.5337000000e-03  2.0518000000e-03 -3.3480000000e-03 -1.9897000000e-03 -8.7790000000e-04  3.3486000000e-03 -1.7315000000e-03 -9.4450000000e-04
+
+JOB 72
+COORDS  1.5141120000e+00 -6.6408600000e-01 -1.5027920000e+00  2.3544650000e+00 -2.3680000000e-01 -1.6685200000e+00  1.7343050000e+00 -1.4279890000e+00 -9.6968900000e-01 -1.5505870000e+00  6.3599800000e-01  1.5393180000e+00 -2.4369910000e+00  8.4925500000e-01  1.2477010000e+00 -9.7926900000e-01  1.1338710000e+00  9.5455300000e-01
+ENERGY -1.526551803330e+02
+FORCES  4.4262000000e-03 -2.2237000000e-03  1.5292000000e-03 -3.5948000000e-03 -1.5226000000e-03  7.7170000000e-04 -5.6370000000e-04  3.2680000000e-03 -2.5119000000e-03 -8.6460000000e-04  2.5824000000e-03 -4.4557000000e-03  3.3768000000e-03 -7.6190000000e-04  1.3671000000e-03 -2.7799000000e-03 -1.3422000000e-03  3.2996000000e-03
+
+JOB 73
+COORDS -9.7629800000e-01  1.1180120000e+00  1.8834730000e+00 -1.0121790000e+00  3.5844700000e-01  1.3020910000e+00 -4.5995300000e-01  1.7644820000e+00  1.4021250000e+00  9.2333900000e-01 -1.1482880000e+00 -1.8639930000e+00  1.8453860000e+00 -9.4517000000e-01 -1.7064980000e+00  4.5313500000e-01 -6.7922200000e-01 -1.1747060000e+00
+ENERGY -1.526527470012e+02
+FORCES  1.1414000000e-03 -2.2400000000e-05 -3.6492000000e-03  1.1327000000e-03  3.2742000000e-03  1.6221000000e-03 -1.9288000000e-03 -3.3729000000e-03  1.7309000000e-03  2.5031000000e-03  2.3786000000e-03  3.0625000000e-03 -4.1286000000e-03 -7.1480000000e-04 -6.4840000000e-04  1.2802000000e-03 -1.5427000000e-03 -2.1179000000e-03
+
+JOB 74
+COORDS -1.3683500000e+00 -7.6768500000e-01 -1.9497570000e+00 -1.5105600000e+00 -1.6440410000e+00 -2.3075400000e+00 -2.2350940000e+00 -3.6158300000e-01 -1.9579040000e+00  1.4762620000e+00  8.2716200000e-01  1.9472990000e+00  1.4282680000e+00  4.7658700000e-01  2.8366950000e+00  6.4634600000e-01  5.7268300000e-01  1.5439230000e+00
+ENERGY -1.526546978797e+02
+FORCES -4.0460000000e-03 -2.0656000000e-03 -2.2989000000e-03  4.4990000000e-04  3.6463000000e-03  1.5753000000e-03  3.6303000000e-03 -1.7011000000e-03  3.6950000000e-04 -3.7403000000e-03 -2.7162000000e-03  1.1970000000e-03  2.1540000000e-04  1.4287000000e-03 -3.4572000000e-03  3.4908000000e-03  1.4078000000e-03  2.6143000000e-03
+
+JOB 75
+COORDS -3.4061300000e-01  2.4792450000e+00 -2.6263000000e-02 -4.0806200000e-01  3.2132260000e+00  5.8443700000e-01 -9.1547800000e-01  2.7183670000e+00 -7.5329900000e-01  3.9047100000e-01 -2.5005730000e+00  8.4819000000e-02  9.5151100000e-01 -3.1364230000e+00 -3.5920800000e-01 -4.0935100000e-01 -2.4781410000e+00 -4.4055100000e-01
+ENERGY -1.526533592039e+02
+FORCES -2.4424000000e-03  3.8759000000e-03 -1.8810000000e-04  2.5700000000e-04 -2.9387000000e-03 -2.5870000000e-03  2.2944000000e-03 -1.1162000000e-03  2.8829000000e-03 -1.0041000000e-03 -1.8082000000e-03 -4.0284000000e-03 -2.2648000000e-03  2.5056000000e-03  1.8514000000e-03  3.1599000000e-03 -5.1850000000e-04  2.0693000000e-03
+
+JOB 76
+COORDS -2.0611330000e+00 -3.0551300000e-01 -1.5106550000e+00 -2.6379230000e+00  4.5838800000e-01 -1.5099490000e+00 -2.4386720000e+00 -8.9068500000e-01 -2.1673660000e+00  2.1273080000e+00  2.5668500000e-01  1.4957490000e+00  2.2482960000e+00 -1.6329000000e-02  2.4051760000e+00  1.8490420000e+00  1.1706560000e+00  1.5545530000e+00
+ENERGY -1.526533925669e+02
+FORCES -3.6441000000e-03  5.1730000000e-04 -2.7435000000e-03  2.3899000000e-03 -3.0214000000e-03  1.0700000000e-04  1.4507000000e-03  2.4275000000e-03  2.7006000000e-03 -1.2637000000e-03  2.5041000000e-03  3.6214000000e-03 -3.5580000000e-04  1.1047000000e-03 -3.6513000000e-03  1.4231000000e-03 -3.5321000000e-03 -3.4200000000e-05
+
+JOB 77
+COORDS -1.5325440000e+00 -2.4239580000e+00  4.3377500000e-01 -2.0095720000e+00 -1.7075100000e+00  1.4993000000e-02 -1.2335950000e+00 -2.9703890000e+00 -2.9305000000e-01  1.5609780000e+00  2.3551810000e+00 -3.4281700000e-01  1.2710820000e+00  2.5052440000e+00 -1.2426360000e+00  1.5326210000e+00  3.2202780000e+00  6.5883000000e-02
+ENERGY -1.526537785984e+02
+FORCES -2.6090000000e-04  1.0716000000e-03 -4.5978000000e-03  1.6249000000e-03 -3.0839000000e-03  1.5971000000e-03 -1.3672000000e-03  2.0942000000e-03  2.9008000000e-03 -1.1264000000e-03  4.2002000000e-03 -1.7701000000e-03  1.0392000000e-03 -7.4640000000e-04  3.6298000000e-03  9.0300000000e-05 -3.5357000000e-03 -1.7597000000e-03
+
+JOB 78
+COORDS  2.8082300000e-01 -6.3381500000e-01  2.8059300000e+00 -4.4463000000e-01 -1.2304850000e+00  2.6217160000e+00  5.7688100000e-01 -8.7938800000e-01  3.6824440000e+00 -3.0135700000e-01  7.2418800000e-01 -2.8398000000e+00 -7.9629000000e-02 -1.5034000000e-02 -2.2735680000e+00  3.4181000000e-01  6.8564000000e-01 -3.5476710000e+00
+ENERGY -1.526541658079e+02
+FORCES -1.8983000000e-03 -3.1920000000e-03  3.1482000000e-03  3.1237000000e-03  2.3257000000e-03  5.2910000000e-04 -1.1990000000e-03  9.5050000000e-04 -3.6215000000e-03  3.7884000000e-03 -3.0051000000e-03 -1.4550000000e-04 -1.1507000000e-03  2.7855000000e-03 -2.6647000000e-03 -2.6641000000e-03  1.3540000000e-04  2.7544000000e-03
+
+JOB 79
+COORDS  1.4612390000e+00  6.1450600000e-01 -2.8641110000e+00  2.3797530000e+00  7.5176100000e-01 -3.0958990000e+00  1.3606220000e+00 -3.3695100000e-01 -2.8351810000e+00 -1.5035250000e+00 -5.1173600000e-01  2.9158770000e+00 -2.2041810000e+00 -7.3201100000e-01  2.3020430000e+00 -8.7666000000e-01 -1.2302820000e+00  2.8324290000e+00
+ENERGY -1.526538639991e+02
+FORCES  3.4438000000e-03 -3.1484000000e-03 -8.1600000000e-04 -3.7749000000e-03 -6.2150000000e-04  9.2240000000e-04  3.1610000000e-04  3.7992000000e-03 -4.5900000000e-05 -2.6110000000e-04 -3.5906000000e-03 -3.0435000000e-03  2.8225000000e-03  7.4880000000e-04  2.5991000000e-03 -2.5464000000e-03  2.8124000000e-03  3.8380000000e-04
+
+JOB 80
+COORDS  2.1457560000e+00  1.9104350000e+00 -1.5585480000e+00  3.0703940000e+00  1.9700600000e+00 -1.7988000000e+00  2.1020400000e+00  2.2834090000e+00 -6.7808700000e-01 -2.1867530000e+00 -1.9264380000e+00  1.5926670000e+00 -1.8201120000e+00 -2.6075960000e+00  1.0289030000e+00 -2.6894590000e+00 -1.3685460000e+00  9.9914000000e-01
+ENERGY -1.526543990438e+02
+FORCES  3.6431000000e-03  1.7826000000e-03  2.7472000000e-03 -3.7667000000e-03 -2.5360000000e-04  9.4380000000e-04  1.8780000000e-04 -1.4655000000e-03 -3.6971000000e-03 -4.2110000000e-04 -4.2270000000e-04 -4.9493000000e-03 -1.5630000000e-03  2.6490000000e-03  2.4073000000e-03  1.9200000000e-03 -2.2899000000e-03  2.5481000000e-03
+
+JOB 81
+COORDS  1.8704300000e-01  3.3849130000e+00 -3.6957100000e-01 -1.9145000000e-01  4.2640990000e+00 -3.6685300000e-01  6.9221300000e-01  3.3385980000e+00  4.4214900000e-01 -2.2344000000e-01 -3.4833170000e+00  3.4890000000e-01  2.9042700000e-01 -2.7829250000e+00  7.5092400000e-01 -2.4930600000e-01 -3.2584710000e+00 -5.8115700000e-01
+ENERGY -1.526543347216e+02
+FORCES  4.0290000000e-04  3.6570000000e-03  3.2942000000e-03  1.5893000000e-03 -3.6044000000e-03  6.5000000000e-06 -2.0257000000e-03  7.0000000000e-07 -3.3296000000e-03  1.8861000000e-03  4.0004000000e-03 -2.2983000000e-03 -1.9938000000e-03 -2.9545000000e-03 -1.4679000000e-03  1.4120000000e-04 -1.0991000000e-03  3.7950000000e-03
+
+JOB 82
+COORDS -5.1665600000e-01  1.1882490000e+00 -3.7154380000e+00 -6.0528700000e-01  1.0108950000e+00 -2.7789960000e+00  1.7335500000e-01  1.8493960000e+00 -3.7702220000e+00  4.5874700000e-01 -1.2594280000e+00  3.6898510000e+00  1.6740300000e-01 -3.4765400000e-01  3.6857310000e+00  1.3000130000e+00 -1.2446200000e+00  3.2334700000e+00
+ENERGY -1.526538835957e+02
+FORCES  2.3667000000e-03  1.9256000000e-03  3.5118000000e-03  4.5330000000e-04  7.9470000000e-04 -3.7734000000e-03 -2.8010000000e-03 -2.7135000000e-03  2.9510000000e-04  2.2911000000e-03  3.6770000000e-03 -1.6615000000e-03  1.1943000000e-03 -3.7080000000e-03 -1.3830000000e-04 -3.5044000000e-03  2.4300000000e-05  1.7662000000e-03
+
+JOB 83
+COORDS  4.1339210000e+00  3.4786400000e-01  2.9624100000e-01  3.2189580000e+00  4.9217600000e-01  5.4894000000e-02  4.6130210000e+00  1.0453610000e+00 -1.5118800000e-01 -4.0868230000e+00 -4.4769800000e-01 -2.6955900000e-01 -3.7160420000e+00  3.9083500000e-01 -5.4454300000e-01 -4.9126670000e+00 -2.1696800000e-01  1.5585600000e-01
+ENERGY -1.526539984156e+02
+FORCES -1.8187000000e-03  3.3126000000e-03 -2.8193000000e-03  3.7653000000e-03 -4.7280000000e-04  9.7830000000e-04 -1.9635000000e-03 -2.8151000000e-03  1.8337000000e-03 -1.9933000000e-03  4.3001000000e-03  6.6290000000e-04 -1.3881000000e-03 -3.4085000000e-03  1.1057000000e-03  3.3984000000e-03 -9.1640000000e-04 -1.7613000000e-03
+
+JOB 84
+COORDS -1.6035310000e+00 -3.6721590000e+00  2.2038740000e+00 -2.5312090000e+00 -3.5507890000e+00  2.4061470000e+00 -1.1567240000e+00 -3.5443480000e+00  3.0406890000e+00  1.6813230000e+00  3.6500650000e+00 -2.3027160000e+00  7.8121100000e-01  3.3705480000e+00 -2.4697520000e+00  1.6474820000e+00  4.0661190000e+00 -1.4413300000e+00
+ENERGY -1.526540541286e+02
+FORCES -1.9239000000e-03  9.1340000000e-04  4.2583000000e-03  3.7855000000e-03 -4.4060000000e-04 -8.4410000000e-04 -1.8487000000e-03 -4.7860000000e-04 -3.4207000000e-03 -3.8223000000e-03  4.2270000000e-04  2.8385000000e-03  3.6638000000e-03  1.2275000000e-03  6.7100000000e-04  1.4560000000e-04 -1.6443000000e-03 -3.5032000000e-03
+
+JOB 85
+COORDS  1.9540830000e+00 -3.4491640000e+00 -3.3994780000e+00  2.8845500000e+00 -3.3183730000e+00 -3.5821190000e+00  1.5033840000e+00 -2.9413160000e+00 -4.0741580000e+00 -1.9749820000e+00  3.4005730000e+00  3.5080290000e+00 -1.3449430000e+00  3.8172150000e+00  2.9200740000e+00 -2.7339960000e+00  3.2161950000e+00  2.9547340000e+00
+ENERGY -1.526540360551e+02
+FORCES  1.9898000000e-03  2.5486000000e-03 -3.4955000000e-03 -3.8118000000e-03 -5.1060000000e-04  7.3870000000e-04  1.8212000000e-03 -2.0391000000e-03  2.7672000000e-03 -5.1180000000e-04  8.6660000000e-04 -4.6618000000e-03 -2.5732000000e-03 -1.6601000000e-03  2.3958000000e-03  3.0858000000e-03  7.9460000000e-04  2.2556000000e-03
+
+JOB 86
+COORDS -1.8924000000e-02 -6.0794990000e+00  4.8548600000e-01  3.2973500000e-01 -6.2974430000e+00 -3.7890300000e-01  5.3366900000e-01 -6.5663810000e+00  1.0968940000e+00  2.7110000000e-02  6.1247490000e+00 -4.3504400000e-01 -7.6180000000e-01  5.6359860000e+00 -2.0059900000e-01 -1.4250400000e-01  6.4432510000e+00 -1.3216210000e+00
+ENERGY -1.526541006191e+02
+FORCES  3.7051000000e-03 -2.8681000000e-03 -1.0157000000e-03 -1.4373000000e-03  8.8790000000e-04  3.5164000000e-03 -2.2641000000e-03  1.9770000000e-03 -2.4990000000e-03 -3.9230000000e-03 -7.4260000000e-04 -2.6442000000e-03  3.2181000000e-03  2.0271000000e-03 -9.6480000000e-04  7.0120000000e-04 -1.2813000000e-03  3.6073000000e-03
+
+JOB 87
+COORDS -5.3163070000e+00 -3.9379960000e+00  3.7555400000e-01 -6.1497750000e+00 -3.5164470000e+00  5.8497900000e-01 -4.8575810000e+00 -3.9924480000e+00  1.2139080000e+00  5.3308330000e+00  3.8872780000e+00 -3.7537600000e-01  6.0846570000e+00  4.0318430000e+00 -9.4728700000e-01  4.6099770000e+00  4.3447000000e+00 -8.0823100000e-01
+ENERGY -1.526540896544e+02
+FORCES -1.5001000000e-03  1.4989000000e-03  4.2888000000e-03  3.3896000000e-03 -1.7178000000e-03 -8.6340000000e-04 -1.8905000000e-03  2.1760000000e-04 -3.4230000000e-03  1.2750000000e-04  2.4339000000e-03 -4.1218000000e-03 -3.0695000000e-03 -5.8060000000e-04  2.3406000000e-03  2.9432000000e-03 -1.8520000000e-03  1.7787000000e-03
+
+JOB 88
+COORDS  6.6877180000e+00 -1.2322450000e+00 -2.2982440000e+00  6.5626680000e+00 -7.1738100000e-01 -3.0954330000e+00  6.1134560000e+00 -1.9899440000e+00 -2.4093650000e+00 -6.6372770000e+00  1.2707580000e+00  2.4095890000e+00 -7.2096860000e+00  5.4808100000e-01  2.1520650000e+00 -6.2584350000e+00  1.5815670000e+00  1.5873310000e+00
+ENERGY -1.526540442504e+02
+FORCES -2.8401000000e-03 -9.9110000000e-04 -3.6936000000e-03  5.0150000000e-04 -2.1022000000e-03  3.2493000000e-03  2.3356000000e-03  3.0940000000e-03  4.4540000000e-04 -7.9010000000e-04 -1.6721000000e-03 -4.3903000000e-03  2.3391000000e-03  2.9464000000e-03  1.0432000000e-03 -1.5460000000e-03 -1.2750000000e-03  3.3460000000e-03
+
+JOB 89
+COORDS -1.1310520000e+00  1.7645980000e+00  7.2971590000e+00 -6.2070300000e-01  1.0929210000e+00  7.7495150000e+00 -2.0256820000e+00  1.4242270000e+00  7.2932630000e+00  1.1154180000e+00 -1.6894130000e+00 -7.2619290000e+00  1.3947930000e+00 -1.1291390000e+00 -7.9859970000e+00  1.4025400000e+00 -2.5672890000e+00 -7.5131770000e+00
+ENERGY -1.526540590025e+02
+FORCES -1.5671000000e-03 -4.1395000000e-03  1.7903000000e-03 -2.0810000000e-03  2.7443000000e-03 -1.8280000000e-03  3.6473000000e-03  1.3927000000e-03  3.6400000000e-05  2.3178000000e-03 -1.2780000000e-03 -3.9721000000e-03 -1.1419000000e-03 -2.2941000000e-03  2.9485000000e-03 -1.1751000000e-03  3.5745000000e-03  1.0250000000e-03
+
+JOB 0
+COORDS  4.8021000000e-02  2.1951900000e-01  1.3008680000e+00  2.4763500000e-01 -1.4797900000e-01  4.3986100000e-01  3.2810000000e-02  1.1661860000e+00  1.1600810000e+00  5.6060000000e-03 -2.7641800000e-01 -1.2184760000e+00 -7.5995700000e-01 -8.3052600000e-01 -1.3704900000e+00 -3.1406100000e-01  6.1608400000e-01 -1.3507080000e+00
+ENERGY -1.526541326354e+02
+FORCES  1.5930000000e-03 -3.7828000000e-03 -2.3795500000e-02 -1.2928000000e-03  2.4430000000e-03  7.5273000000e-03 -9.3410000000e-04 -2.3769000000e-03 -1.6839000000e-03 -5.7452000000e-03  4.2927000000e-03  1.3419600000e-02  4.1628000000e-03  3.5910000000e-03  1.3215000000e-03  2.2162000000e-03 -4.1670000000e-03  3.2110000000e-03
+
+JOB 1
+COORDS  5.1762300000e-01  1.2136320000e+00 -1.7495100000e-01  8.3492400000e-01  1.2561030000e+00 -1.0770310000e+00  2.9278000000e-01  2.9265400000e-01 -4.2748000000e-02 -4.6486700000e-01 -1.1283230000e+00  2.3353500000e-01 -1.3006710000e+00 -9.8179800000e-01  6.7647300000e-01 -6.4490300000e-01 -1.8293110000e+00 -3.9291300000e-01
+ENERGY -1.526573872159e+02
+FORCES -6.9991000000e-03 -2.0130200000e-02  1.1449000000e-03 -1.3358000000e-03 -1.9148000000e-03  2.0937000000e-03  2.2955000000e-03  7.6205000000e-03  3.6360000000e-04  2.1570000000e-03  1.2830600000e-02 -3.8425000000e-03  4.2988000000e-03 -2.1232000000e-03 -3.1442000000e-03 -4.1640000000e-04  3.7172000000e-03  3.3845000000e-03
+
+JOB 2
+COORDS  3.0670000000e-03 -8.6311500000e-01  9.1799600000e-01  5.6065800000e-01 -1.3830910000e+00  3.3924800000e-01 -5.9459000000e-01 -1.4993510000e+00  1.3107330000e+00 -6.0541000000e-02  9.5736800000e-01 -9.0814300000e-01  2.5011800000e-01  2.2068600000e-01 -3.8181400000e-01  6.8998300000e-01  1.1974310000e+00 -1.4515720000e+00
+ENERGY -1.526499072362e+02
+FORCES -5.0956000000e-03  4.4379000000e-03 -7.5331000000e-03 -3.5507000000e-03  1.0327200000e-02 -1.2796000000e-03  4.2827000000e-03  2.1222000000e-03 -1.4609000000e-03 -1.6780000000e-03 -8.0856000000e-03  1.2048700000e-02  7.6493000000e-03 -4.7474000000e-03 -5.6626000000e-03 -1.6079000000e-03 -4.0544000000e-03  3.8876000000e-03
+
+JOB 3
+COORDS  6.2389800000e-01  1.2100360000e+00 -3.6023000000e-02  3.8089500000e-01  2.9468900000e-01 -1.7502600000e-01 -2.0128100000e-01  1.6485720000e+00  1.7133400000e-01 -5.6246300000e-01 -1.1360010000e+00  8.9693000000e-02 -3.1329000000e-02 -1.9232550000e+00 -3.0140000000e-02 -1.1028970000e+00 -1.0887790000e+00 -6.9893400000e-01
+ENERGY -1.526563476706e+02
+FORCES -1.1131600000e-02 -1.7402600000e-02  4.0854000000e-03  4.0990000000e-03  5.6517000000e-03 -5.2780000000e-03  1.6797000000e-03 -6.5560000000e-04 -1.5757000000e-03  2.4550000000e-03  4.3331000000e-03 -1.1381000000e-03 -2.2771000000e-03  5.9513000000e-03 -5.0640000000e-04  5.1750000000e-03  2.1221000000e-03  4.4127000000e-03
+
+JOB 4
+COORDS -7.6759100000e-01 -3.5852000000e-02 -1.0038660000e+00 -1.5413900000e+00 -5.9880000000e-01 -9.8028900000e-01 -9.5607800000e-01  6.0247900000e-01 -1.6917900000e+00  7.9726200000e-01  5.8674000000e-02  1.0946550000e+00  1.6759100000e+00 -2.9656100000e-01  9.6042200000e-01  3.7006600000e-01 -2.9342000000e-02  2.4260500000e-01
+ENERGY -1.526594138767e+02
+FORCES  3.7745000000e-03  1.3883000000e-03  8.0271000000e-03  3.2092000000e-03  3.6795000000e-03 -1.8565000000e-03 -6.9450000000e-04 -4.1868000000e-03  2.7118000000e-03 -8.7083000000e-03 -6.1790000000e-04 -1.3451200000e-02 -3.3051000000e-03  8.8190000000e-04 -1.6453000000e-03  5.7242000000e-03 -1.1451000000e-03  6.2140000000e-03
+
+JOB 5
+COORDS  9.9751300000e-01  2.0500000000e-02  7.9944000000e-01  1.3629090000e+00 -4.1115200000e-01  1.5717060000e+00  1.7065290000e+00  2.8030000000e-03  1.5662200000e-01 -1.0695010000e+00  5.8722000000e-02 -8.4197100000e-01 -3.2707400000e-01 -2.1369900000e-01 -3.0269400000e-01 -1.6759150000e+00 -6.8104500000e-01 -8.0678600000e-01
+ENERGY -1.526578191666e+02
+FORCES -3.1821000000e-03 -4.2680000000e-04 -2.2002000000e-03 -7.6110000000e-04  2.4586000000e-03 -4.4249000000e-03 -5.9885000000e-03 -1.5907000000e-03  3.0856000000e-03  9.8135000000e-03 -1.8446000000e-03  1.1507100000e-02 -2.7363000000e-03 -2.8460000000e-04 -9.2698000000e-03  2.8544000000e-03  1.6880000000e-03  1.3022000000e-03
+
+JOB 6
+COORDS  6.7614000000e-02 -1.4016840000e+00  1.1941700000e-01 -1.4520200000e-01 -5.5863900000e-01  5.1968500000e-01  1.0158800000e-01 -1.2197040000e+00 -8.1971100000e-01 -7.6486000000e-02  1.3116590000e+00 -3.2265000000e-02 -5.7768600000e-01  1.4900240000e+00 -8.2801400000e-01  7.9841500000e-01  1.6525370000e+00 -2.1823400000e-01
+ENERGY -1.526569869086e+02
+FORCES -8.3320000000e-04  1.6688200000e-02 -3.0052000000e-03 -4.6090000000e-04 -6.5724000000e-03  2.6913000000e-03  1.7700000000e-05 -1.8365000000e-03  5.0660000000e-04  2.5484000000e-03 -4.4730000000e-03 -3.1458000000e-03  3.4393000000e-03 -2.0986000000e-03  3.1334000000e-03 -4.7113000000e-03 -1.7077000000e-03 -1.8020000000e-04
+
+JOB 7
+COORDS -6.5408200000e-01  1.1054750000e+00  3.9881000000e-02 -2.5687300000e-01  1.9716070000e+00 -5.1076000000e-02 -1.5510030000e+00  1.2185450000e+00 -2.7472900000e-01  7.1861100000e-01 -1.2081480000e+00  9.3880000000e-03  1.7824700000e-01 -1.3108440000e+00 -7.7399700000e-01  5.7043100000e-01 -3.0393900000e-01  2.8630000000e-01
+ENERGY -1.526569423700e+02
+FORCES -1.7480000000e-04 -4.7183000000e-03 -1.3957000000e-03 -1.5409000000e-03 -5.2516000000e-03  4.8130000000e-04  4.6962000000e-03  6.6340000000e-04  5.1510000000e-04 -1.0481900000e-02  1.3379000000e-02 -2.5339000000e-03  1.2769000000e-03 -2.2717000000e-03  9.3220000000e-04  6.2246000000e-03 -1.8008000000e-03  2.0010000000e-03
+
+JOB 8
+COORDS  3.2244700000e-01  7.2553300000e-01  1.1275020000e+00 -6.1376700000e-01  6.5380000000e-01  1.3134850000e+00  6.7892200000e-01 -1.3301200000e-01  1.3556650000e+00 -2.3370900000e-01 -6.7351000000e-01 -1.1943530000e+00 -1.1117770000e+00 -1.0500020000e+00 -1.2533610000e+00 -2.6314600000e-01 -1.1664400000e-01 -4.1636500000e-01
+ENERGY -1.526552268523e+02
+FORCES  3.5400000000e-04 -4.9672000000e-03  2.2140000000e-03  4.9212000000e-03 -2.1515000000e-03 -7.5106000000e-03 -3.9515000000e-03  4.8552000000e-03 -3.5387000000e-03  1.4829000000e-03  7.9660000000e-03  8.1361000000e-03  3.1096000000e-03  2.6241000000e-03  2.9855000000e-03 -5.9161000000e-03 -8.3267000000e-03 -2.2863000000e-03
+
+JOB 9
+COORDS -2.8312200000e-01 -1.2149790000e+00  6.5558000000e-01 -9.6462900000e-01 -1.6043960000e+00  1.0773500000e-01 -2.2541400000e-01 -3.0711600000e-01  3.5777600000e-01  2.5860100000e-01  1.1467300000e+00 -5.8781800000e-01  7.9929400000e-01  1.6857130000e+00 -1.0428000000e-02  7.0219300000e-01  1.1833320000e+00 -1.4352370000e+00
+ENERGY -1.526596147052e+02
+FORCES  6.3760000000e-04  1.2011400000e-02 -8.9923000000e-03  2.2062000000e-03  1.1758000000e-03  8.6510000000e-04 -1.7589000000e-03 -5.5820000000e-03  7.2908000000e-03  3.3594000000e-03 -5.4939000000e-03 -3.6880000000e-04 -2.7319000000e-03 -3.8092000000e-03 -2.9117000000e-03 -1.7124000000e-03  1.6979000000e-03  4.1169000000e-03
+
+JOB 10
+COORDS  3.7342800000e-01 -5.7654900000e-01  1.1411750000e+00 -3.9662000000e-01 -1.1262390000e+00  1.2864320000e+00  1.0602550000e+00 -9.8068900000e-01  1.6714310000e+00 -4.1215300000e-01  6.7883900000e-01 -1.1940960000e+00  1.8222800000e-01  1.7850600000e-01 -1.7532110000e+00 -2.4336500000e-01  3.5126700000e-01 -3.1067100000e-01
+ENERGY -1.526590862701e+02
+FORCES  1.1114000000e-03 -1.0630000000e-04 -1.4951000000e-03  4.3067000000e-03  3.7486000000e-03 -1.9708000000e-03 -4.3683000000e-03  1.8550000000e-04 -1.9187000000e-03  7.8304000000e-03 -6.3614000000e-03  8.8750000000e-03 -1.8736000000e-03  1.4946000000e-03  5.5990000000e-04 -7.0067000000e-03  1.0390000000e-03 -4.0502000000e-03
+
+JOB 11
+COORDS -3.3189100000e-01 -1.2932100000e+00  7.4842000000e-02 -1.2212260000e+00 -1.6291090000e+00 -3.6901000000e-02  9.4821000000e-02 -1.9298630000e+00  6.4827100000e-01  3.2886500000e-01  1.3950490000e+00 -1.2347100000e-01  1.1557660000e+00  1.3735530000e+00  3.5819700000e-01  3.4370000000e-02  4.8435700000e-01 -1.3546000000e-01
+ENERGY -1.526603002279e+02
+FORCES  1.0630000000e-04  1.6347000000e-03  2.0427000000e-03  4.7883000000e-03  9.0300000000e-04  1.1339000000e-03 -2.9265000000e-03  2.2086000000e-03 -2.7978000000e-03 -6.8250000000e-04 -1.3337400000e-02  2.3432000000e-03 -2.0259000000e-03 -1.2390000000e-04 -1.0314000000e-03  7.4030000000e-04  8.7150000000e-03 -1.6906000000e-03
+
+JOB 12
+COORDS -1.2110890000e+00  4.7209700000e-01  3.3793100000e-01 -1.6166900000e+00  6.3000000000e-01  1.1904490000e+00 -1.8951030000e+00  4.5127000000e-02 -1.7787300000e-01  1.3260790000e+00 -4.6940700000e-01 -3.9392000000e-01  1.0554790000e+00 -8.8509000000e-01  4.2474600000e-01  6.3484600000e-01  1.6593000000e-01 -5.8040000000e-01
+ENERGY -1.526582981755e+02
+FORCES -7.4940000000e-04 -1.5172000000e-03  8.6690000000e-04  1.4846000000e-03 -2.0407000000e-03 -3.9576000000e-03  3.7350000000e-03  2.1687000000e-03  2.6355000000e-03 -1.1961600000e-02  3.9777000000e-03  6.3854000000e-03  3.2935000000e-03 -1.2156000000e-03 -1.2677000000e-03  4.1978000000e-03 -1.3730000000e-03 -4.6625000000e-03
+
+JOB 13
+COORDS -4.0089000000e-01  1.0502440000e+00 -7.0831100000e-01  2.1058900000e-01  1.2586950000e+00 -1.4146200000e+00 -1.0147610000e+00  1.7846030000e+00 -6.9779800000e-01  3.5685300000e-01 -1.1369560000e+00  7.8648500000e-01  1.2846070000e+00 -1.3720600000e+00  8.0164800000e-01  2.9659900000e-01 -4.3976600000e-01  1.3339500000e-01
+ENERGY -1.526582613590e+02
+FORCES -2.2565000000e-03  6.9540000000e-04  2.6549000000e-03 -2.1606000000e-03 -2.3019000000e-03  4.6961000000e-03  3.6316000000e-03 -2.2335000000e-03 -2.1379000000e-03 -2.2875000000e-03  8.8117000000e-03 -5.0335000000e-03 -2.9328000000e-03  2.2276000000e-03 -1.4906000000e-03  6.0058000000e-03 -7.1992000000e-03  1.3109000000e-03
+
+JOB 14
+COORDS -3.8532400000e-01  7.2711400000e-01  1.1488760000e+00 -1.9051100000e-01  5.8507800000e-01  2.0752160000e+00  2.1386900000e-01  1.4214300000e-01  6.8518700000e-01  2.8167700000e-01 -6.7539600000e-01 -1.1375790000e+00  7.1253000000e-01 -1.4084500000e-01 -1.8045520000e+00  8.5031600000e-01 -1.4388840000e+00 -1.0377350000e+00
+ENERGY -1.526574635364e+02
+FORCES  2.7146000000e-03 -5.6003000000e-03 -6.9317000000e-03  2.8030000000e-04 -1.2117000000e-03 -4.4452000000e-03  4.7110000000e-04  3.6608000000e-03  9.3589000000e-03  7.2870000000e-04  1.2274000000e-03 -3.6498000000e-03 -1.6458000000e-03 -3.3347000000e-03  3.6400000000e-03 -2.5488000000e-03  5.2584000000e-03  2.0278000000e-03
+
+JOB 15
+COORDS  9.4770000000e-02  1.1328780000e+00 -9.0589200000e-01  2.5535100000e-01  1.8404540000e+00 -2.8156700000e-01  4.2021500000e-01  3.4701000000e-01 -4.6688200000e-01 -9.8518000000e-02 -1.1551390000e+00  8.9667800000e-01 -8.3170900000e-01 -5.4515800000e-01  8.1552500000e-01  1.9033500000e-01 -1.3043130000e+00 -3.6230000000e-03
+ENERGY -1.526522196355e+02
+FORCES  4.2486000000e-03 -1.6106000000e-03  8.3056000000e-03 -1.8588000000e-03 -2.7481000000e-03 -2.6807000000e-03 -4.8746000000e-03 -4.7630000000e-03 -4.4295000000e-03 -5.9031000000e-03  1.5379000000e-03 -5.2893000000e-03  6.1167000000e-03 -1.7506000000e-03  8.8160000000e-04  2.2712000000e-03  9.3345000000e-03  3.2123000000e-03
+
+JOB 16
+COORDS  1.1163390000e+00  4.7046000000e-01  7.6950200000e-01  2.0042260000e+00  1.1530600000e-01  7.2763000000e-01  6.4052100000e-01  9.1460000000e-03  7.8836000000e-02 -1.1115010000e+00 -3.8070700000e-01 -7.7415900000e-01 -1.6342500000e+00 -1.2815300000e-01 -1.3119000000e-02 -1.0938940000e+00 -1.3373440000e+00 -7.4644500000e-01
+ENERGY -1.526602773366e+02
+FORCES -4.8059000000e-03 -2.8569000000e-03 -7.2756000000e-03 -3.9979000000e-03 -9.0200000000e-05 -1.0948000000e-03  8.0716000000e-03  5.7440000000e-04  7.5535000000e-03 -4.7489000000e-03 -7.3080000000e-04  4.4505000000e-03  3.1303000000e-03 -2.2190000000e-03 -4.3679000000e-03  2.3507000000e-03  5.3225000000e-03  7.3430000000e-04
+
+JOB 17
+COORDS  8.3696300000e-01  9.2326200000e-01  7.1390600000e-01  6.1002500000e-01  1.2517920000e+00  1.5838480000e+00  7.1573000000e-02  4.1720800000e-01  4.4129300000e-01 -7.8009700000e-01 -9.4686800000e-01 -6.8503900000e-01 -5.5146000000e-02 -8.0422000000e-01 -1.2935850000e+00 -1.5420310000e+00 -5.7290300000e-01 -1.1275760000e+00
+ENERGY -1.526609896237e+02
+FORCES -7.2708000000e-03 -6.4075000000e-03 -8.1290000000e-04 -6.0450000000e-04 -1.5852000000e-03 -3.1151000000e-03  6.9308000000e-03  8.0743000000e-03  2.2079000000e-03  1.3930000000e-03 -6.1800000000e-05 -5.8440000000e-03 -4.8083000000e-03  7.7050000000e-04  4.5657000000e-03  4.3598000000e-03 -7.9050000000e-04  2.9984000000e-03
+
+JOB 18
+COORDS  1.2102340000e+00 -6.2428300000e-01 -1.9244100000e-01  1.7909750000e+00 -3.9140600000e-01 -9.1683000000e-01  9.8279800000e-01 -1.5402560000e+00 -3.5212700000e-01 -1.2720700000e+00  7.2550600000e-01  2.6596500000e-01 -3.2219900000e-01  6.1098900000e-01  2.3658000000e-01 -1.6244400000e+00 -1.2008600000e-01 -1.1600000000e-02
+ENERGY -1.526591616847e+02
+FORCES -9.0920000000e-04 -2.6168000000e-03 -3.1036000000e-03 -3.2504000000e-03 -1.3854000000e-03  3.4555000000e-03  7.8060000000e-04  4.5264000000e-03  6.5800000000e-05  9.8406000000e-03 -7.9306000000e-03 -2.5722000000e-03 -6.0710000000e-03  5.5721000000e-03  1.3793000000e-03 -3.9060000000e-04  1.8343000000e-03  7.7520000000e-04
+
+JOB 19
+COORDS -2.8143400000e-01  4.6242000000e-01  1.3870920000e+00 -1.0600410000e+00  5.5226400000e-01  8.3760900000e-01  4.5197000000e-01  5.1145200000e-01  7.7394700000e-01  2.8607300000e-01 -4.8972400000e-01 -1.2450680000e+00  4.4479200000e-01  3.7782100000e-01 -1.6170980000e+00  1.5154800000e-01 -1.0558290000e+00 -2.0051070000e+00
+ENERGY -1.526547664618e+02
+FORCES  3.3150000000e-04 -5.5093000000e-03 -1.0815200000e-02  9.7120000000e-04  2.0830000000e-03  3.2912000000e-03 -3.9630000000e-04  4.5146000000e-03  2.5084000000e-03  2.3800000000e-05 -6.7020000000e-04 -3.2029000000e-03 -9.6700000000e-04 -3.6039000000e-03  4.8022000000e-03  3.6900000000e-05  3.1859000000e-03  3.4163000000e-03
+
+JOB 20
+COORDS  4.9484800000e-01  7.3848100000e-01 -1.1669750000e+00 -3.7230000000e-03  1.3023000000e-01 -6.2136700000e-01  1.1027430000e+00  1.8158400000e-01 -1.6533510000e+00 -4.8081100000e-01 -6.2361800000e-01  1.1344880000e+00 -5.5031000000e-02 -1.4279640000e+00  1.4310890000e+00 -1.3693890000e+00 -6.7874100000e-01  1.4860890000e+00
+ENERGY -1.526596896274e+02
+FORCES -2.4673000000e-03 -6.4798000000e-03  7.2678000000e-03  2.6200000000e-03  3.6160000000e-03 -8.8693000000e-03 -1.8938000000e-03  1.0728000000e-03  2.3177000000e-03 -3.2990000000e-04 -1.5560000000e-03  2.6130000000e-03 -2.6149000000e-03  3.6565000000e-03 -1.7173000000e-03  4.6861000000e-03 -3.0950000000e-04 -1.6119000000e-03
+
+JOB 21
+COORDS -1.2858820000e+00  5.3950400000e-01  1.8669600000e-01 -1.2890240000e+00  1.4917470000e+00  8.9455000000e-02 -1.8759530000e+00  2.2631500000e-01 -4.9884100000e-01  1.3690590000e+00 -5.4820200000e-01 -1.7773900000e-01  1.1808500000e+00 -1.3852210000e+00  2.4677000000e-01  5.7266100000e-01 -3.1840000000e-02 -5.3831000000e-02
+ENERGY -1.526612459920e+02
+FORCES -3.0980000000e-03  1.2654000000e-03 -3.3360000000e-03  1.0303000000e-03 -5.4581000000e-03 -2.9180000000e-04  2.8173000000e-03  2.0614000000e-03  3.6363000000e-03 -1.1353400000e-02  1.6341000000e-03  3.8064000000e-03  8.8640000000e-04  1.8520000000e-03 -1.7267000000e-03  9.7175000000e-03 -1.3548000000e-03 -2.0882000000e-03
+
+JOB 22
+COORDS -9.3070000000e-01  6.4603800000e-01  7.8901700000e-01 -6.5672400000e-01  1.5511900000e+00  9.3689300000e-01 -1.7737250000e+00  5.7428800000e-01  1.2366700000e+00  9.5109700000e-01 -6.7871500000e-01 -8.8989900000e-01  6.8185300000e-01 -1.9106100000e-01 -1.1148200000e-01  1.4594870000e+00 -1.4143120000e+00 -5.4833300000e-01
+ENERGY -1.526579848194e+02
+FORCES -3.9458000000e-03  3.4240000000e-04  2.4840000000e-04  2.2300000000e-05 -5.4444000000e-03 -8.2880000000e-04  3.5509000000e-03  1.7767000000e-03 -1.6576000000e-03 -5.0549000000e-03  1.3585000000e-03  7.0218000000e-03  7.6962000000e-03 -5.4610000000e-04 -4.1553000000e-03 -2.2686000000e-03  2.5129000000e-03 -6.2850000000e-04
+
+JOB 23
+COORDS  1.3416220000e+00  7.5055000000e-02  5.1516200000e-01  1.0456530000e+00  4.7294700000e-01  1.3338910000e+00  1.4649720000e+00 -8.4984100000e-01  7.2866500000e-01 -1.3911490000e+00 -2.4839000000e-02 -5.5360200000e-01 -5.4277400000e-01 -5.9030000000e-02 -1.1164800000e-01 -1.2189560000e+00 -3.6791800000e-01 -1.4304590000e+00
+ENERGY -1.526597657463e+02
+FORCES  2.9537000000e-03 -8.0600000000e-04  4.9058000000e-03 -7.0210000000e-04 -3.3257000000e-03 -5.8307000000e-03 -2.8621000000e-03  5.1060000000e-03 -2.0328000000e-03  1.1483600000e-02  2.4620000000e-04 -5.4390000000e-04 -1.0004300000e-02 -1.6555000000e-03  7.4910000000e-04 -8.6890000000e-04  4.3500000000e-04  2.7524000000e-03
+
+JOB 24
+COORDS  9.0616500000e-01 -1.0354580000e+00 -2.2921300000e-01  1.2654870000e+00 -1.1996360000e+00 -1.1010870000e+00  1.6006150000e+00 -1.3060470000e+00  3.7141400000e-01 -9.9164600000e-01  1.1112530000e+00  2.0351600000e-01 -1.4501140000e+00  3.2914300000e-01  5.1067100000e-01 -1.1292000000e-01  1.0359680000e+00  5.7554400000e-01
+ENERGY -1.526557681787e+02
+FORCES  2.2613000000e-03 -9.2980000000e-04 -4.2422000000e-03 -9.4230000000e-04 -4.6000000000e-06  4.4123000000e-03 -3.9683000000e-03  2.9609000000e-03 -2.0227000000e-03  6.6372000000e-03 -1.0163100000e-02  1.5980000000e-04 -9.2690000000e-04  3.8735000000e-03 -8.0000000000e-06 -3.0610000000e-03  4.2630000000e-03  1.7007000000e-03
+
+JOB 25
+COORDS -1.2967100000e-01  1.2387300000e+00 -6.9335500000e-01  3.8957400000e-01  1.0785590000e+00 -1.4813660000e+00 -1.0210150000e+00  1.3712620000e+00 -1.0161150000e+00  1.1093800000e-01 -1.2460750000e+00  8.0324100000e-01 -3.2084000000e-02 -6.7904500000e-01  4.5445000000e-02  9.5782900000e-01 -1.6599770000e+00  6.3683400000e-01
+ENERGY -1.526576510708e+02
+FORCES -1.6026000000e-03  3.7918000000e-03 -3.0379000000e-03 -2.8777000000e-03 -2.0894000000e-03  5.2465000000e-03  5.0293000000e-03 -2.0240000000e-03  1.6072000000e-03  1.6568000000e-03  8.0923000000e-03 -5.0497000000e-03  5.4850000000e-04 -9.8256000000e-03  1.5703000000e-03 -2.7542000000e-03  2.0549000000e-03 -3.3630000000e-04
+
+JOB 26
+COORDS -2.7128600000e-01  1.3053300000e+00  5.1501300000e-01 -1.4164300000e-01  1.4862900000e+00  1.4459690000e+00  5.3144300000e-01  1.6157990000e+00  9.6125000000e-02  1.9381700000e-01 -1.3449230000e+00 -6.1139500000e-01  1.0528770000e+00 -1.5578180000e+00 -2.4680800000e-01 -2.8328800000e-01 -9.4548000000e-01  1.1596300000e-01
+ENERGY -1.526567515105e+02
+FORCES  5.1310000000e-03  2.5962000000e-03 -2.1820000000e-03 -1.9420000000e-04 -3.0571000000e-03 -4.4091000000e-03 -3.3231000000e-03 -3.3710000000e-04  3.4917000000e-03 -7.2890000000e-04  6.6274000000e-03  6.4369000000e-03 -2.5656000000e-03  1.4541000000e-03 -1.4577000000e-03  1.6809000000e-03 -7.2836000000e-03 -1.8797000000e-03
+
+JOB 27
+COORDS -1.0577260000e+00  8.6579100000e-01  4.7255400000e-01 -1.1340980000e+00  1.0118640000e+00  1.4154550000e+00 -1.5775850000e+00  7.8939000000e-02  3.0871900000e-01  1.0788870000e+00 -8.6877000000e-01 -4.5083900000e-01  1.7813180000e+00 -9.5461200000e-01 -1.0953960000e+00  5.1999300000e-01 -1.7265600000e-01 -7.9623100000e-01
+ENERGY -1.526576471998e+02
+FORCES  2.5550000000e-04 -3.9876000000e-03  5.9952000000e-03 -1.2219000000e-03 -2.7060000000e-04 -3.6953000000e-03  2.9564000000e-03  4.0318000000e-03 -8.9730000000e-04 -1.7549000000e-03  5.6780000000e-03 -1.0736000000e-03 -3.0941000000e-03  1.3855000000e-03  2.5944000000e-03  2.8590000000e-03 -6.8372000000e-03 -2.9234000000e-03
+
+JOB 28
+COORDS  4.3037500000e-01  1.2301040000e+00  6.5694600000e-01 -3.0550000000e-01  9.6096300000e-01  1.2067490000e+00  1.1284780000e+00  1.4412600000e+00  1.2768630000e+00 -3.7238400000e-01 -1.2655960000e+00 -7.0480500000e-01 -1.2567410000e+00 -1.5479080000e+00 -9.3813900000e-01 -3.9951900000e-01 -3.1116000000e-01 -7.7224700000e-01
+ENERGY -1.526573846653e+02
+FORCES  2.1107000000e-03 -2.7481000000e-03  5.4994000000e-03  2.2775000000e-03  1.9189000000e-03 -3.9790000000e-03 -3.4764000000e-03 -3.6180000000e-04 -1.6281000000e-03  4.1330000000e-04  5.3569000000e-03 -1.1925000000e-03  3.2658000000e-03  2.1789000000e-03  2.0801000000e-03 -4.5909000000e-03 -6.3448000000e-03 -7.7990000000e-04
+
+JOB 29
+COORDS  1.7813700000e-01  1.4926150000e+00  3.5919700000e-01  5.9280000000e-03  5.5897300000e-01  4.8120800000e-01  2.8796300000e-01  1.5948570000e+00 -5.8616900000e-01 -1.8233000000e-01 -1.4070760000e+00 -2.5938000000e-01  5.4250200000e-01 -1.9945470000e+00 -4.7322100000e-01 -7.6788300000e-01 -1.4636630000e+00 -1.0144670000e+00
+ENERGY -1.526602295954e+02
+FORCES -3.4710000000e-04 -9.5175000000e-03 -4.2801000000e-03  2.0390000000e-04  8.3688000000e-03  2.4121000000e-03 -4.7540000000e-04  8.5390000000e-04  2.3090000000e-03  9.5490000000e-04 -2.8978000000e-03 -3.7034000000e-03 -3.8961000000e-03  2.5774000000e-03  1.1420000000e-04  3.5599000000e-03  6.1510000000e-04  3.1482000000e-03
+
+JOB 30
+COORDS  1.0884040000e+00  1.1104580000e+00 -2.0380900000e-01  7.2939700000e-01  2.4529200000e-01 -4.0086800000e-01  4.4136000000e-01  1.5124480000e+00  3.7582000000e-01 -9.6543400000e-01 -1.0776920000e+00  1.6279300000e-01 -1.2724700000e+00 -1.3820030000e+00  1.0168170000e+00 -1.7639050000e+00 -8.3993800000e-01 -3.0853400000e-01
+ENERGY -1.526595691530e+02
+FORCES -7.6484000000e-03 -6.3477000000e-03  3.1380000000e-03  4.9489000000e-03  5.2142000000e-03 -2.5890000000e-03  2.4395000000e-03  9.0110000000e-04 -1.5189000000e-03 -4.1318000000e-03 -1.0466000000e-03  2.3700000000e-03  4.2100000000e-04  1.8273000000e-03 -4.1030000000e-03  3.9708000000e-03 -5.4830000000e-04  2.7028000000e-03
+
+JOB 31
+COORDS -7.3711000000e-02  1.3459000000e-02 -1.4337820000e+00 -8.4053300000e-01 -2.3786500000e-01 -1.9486140000e+00  6.5994900000e-01 -6.0848000000e-02 -2.0440710000e+00  1.3591300000e-01  1.9786000000e-02  1.5208980000e+00 -7.3178300000e-01  6.3187000000e-02  1.9227090000e+00 -2.5945000000e-02 -3.0345400000e-01  6.3458500000e-01
+ENERGY -1.526598035269e+02
+FORCES  1.4135000000e-03  2.8520000000e-04 -4.7564000000e-03  3.6502000000e-03  1.0084000000e-03  2.7762000000e-03 -4.2288000000e-03  1.8330000000e-04  1.9660000000e-03 -3.2368000000e-03  8.3700000000e-05 -7.7945000000e-03  2.4902000000e-03 -3.1850000000e-04 -1.7863000000e-03 -8.8200000000e-05 -1.2421000000e-03  9.5951000000e-03
+
+JOB 32
+COORDS -1.4611300000e-01 -1.4625820000e+00 -2.5872000000e-01  5.2839500000e-01 -2.0427360000e+00  9.4399000000e-02  1.7735400000e-01 -1.2183550000e+00 -1.1258730000e+00  5.8666000000e-02  1.5298120000e+00  2.9588700000e-01  9.9757700000e-01  1.5166760000e+00  1.1012700000e-01 -1.9246400000e-01  6.0671700000e-01  3.2846700000e-01
+ENERGY -1.526597819354e+02
+FORCES  3.6577000000e-03 -4.0634000000e-03 -2.9925000000e-03 -2.7544000000e-03  3.3245000000e-03 -2.2437000000e-03 -8.0350000000e-04 -1.0000000000e-06  5.6723000000e-03  1.6422000000e-03 -8.6194000000e-03  2.3890000000e-04 -2.8734000000e-03  4.5700000000e-05 -1.3630000000e-04  1.1314000000e-03  9.3136000000e-03 -5.3880000000e-04
+
+JOB 33
+COORDS -6.0883300000e-01  1.3818200000e-01  1.3250620000e+00 -9.1185700000e-01  2.4977800000e-01  2.2261470000e+00 -1.3378550000e+00  4.4644100000e-01  7.8679200000e-01  6.2978000000e-01 -1.2696300000e-01 -1.3970240000e+00  6.2348200000e-01  5.2460000000e-02 -4.5681100000e-01  1.2284470000e+00 -8.6724700000e-01 -1.4960660000e+00
+ENERGY -1.526604480053e+02
+FORCES -4.6709000000e-03  1.1971000000e-03  2.1150000000e-03 -3.1500000000e-05 -5.8670000000e-04 -4.1396000000e-03  4.3629000000e-03 -8.4350000000e-04  3.4056000000e-03  1.6688000000e-03 -2.5798000000e-03  6.7527000000e-03  4.0950000000e-04  2.5400000000e-04 -8.3716000000e-03 -1.7388000000e-03  2.5589000000e-03  2.3780000000e-04
+
+JOB 34
+COORDS  2.4602200000e-01  3.9444200000e-01  1.5204850000e+00  1.0171800000e+00  3.6888300000e-01  9.5401000000e-01 -1.1728700000e-01 -4.8976400000e-01  1.4713160000e+00 -3.0767900000e-01 -3.3493100000e-01 -1.4290030000e+00  4.2376400000e-01 -9.4624900000e-01 -1.5156790000e+00 -3.5178100000e-01  1.0820700000e-01 -2.2763010000e+00
+ENERGY -1.526531347607e+02
+FORCES -1.0499000000e-03 -3.7018000000e-03 -8.0508000000e-03 -5.1300000000e-04 -3.3130000000e-04  3.6469000000e-03  2.4110000000e-03  2.3389000000e-03  2.2692000000e-03  1.3371000000e-03  5.4250000000e-04 -4.2533000000e-03 -2.6857000000e-03  3.1705000000e-03  2.5278000000e-03  5.0050000000e-04 -2.0189000000e-03  3.8602000000e-03
+
+JOB 35
+COORDS  8.6827200000e-01  1.3212030000e+00  2.2007000000e-02  2.9058000000e-01  6.1772700000e-01  3.1802600000e-01  1.4109930000e+00  1.5228200000e+00  7.8426500000e-01 -8.5576100000e-01 -1.2746400000e+00 -1.3730500000e-01 -4.0186600000e-01 -1.9570360000e+00  3.5721100000e-01 -1.5294330000e+00 -9.5223100000e-01  4.6140200000e-01
+ENERGY -1.526572025619e+02
+FORCES -2.0052000000e-03 -5.3607000000e-03  1.7022000000e-03  3.4042000000e-03  7.9258000000e-03  3.1831000000e-03 -2.4365000000e-03 -1.6972000000e-03 -2.5879000000e-03 -2.8087000000e-03 -5.7326000000e-03  1.7923000000e-03 -2.0396000000e-03  4.4245000000e-03 -1.7492000000e-03  5.8857000000e-03  4.4020000000e-04 -2.3405000000e-03
+
+JOB 36
+COORDS -1.6995400000e-01  1.5199950000e+00  1.3287000000e-01 -4.1658700000e-01  2.3774600000e+00  4.7950700000e-01  5.9550300000e-01  1.6937290000e+00 -4.1496500000e-01  1.8047500000e-01 -1.6056970000e+00 -1.6427100000e-01  2.0017000000e-02 -1.8903320000e+00  7.3543400000e-01 -4.0254000000e-01 -8.5644700000e-01 -2.8653600000e-01
+ENERGY -1.526589738341e+02
+FORCES  3.1155000000e-03  4.8510000000e-03 -4.5500000000e-04  1.7578000000e-03 -3.4908000000e-03 -1.3960000000e-03 -4.2473000000e-03  4.5800000000e-05  2.2228000000e-03 -3.5328000000e-03  5.2377000000e-03  4.4234000000e-03  6.0200000000e-04  1.4600000000e-05 -3.1444000000e-03  2.3047000000e-03 -6.6583000000e-03 -1.6508000000e-03
+
+JOB 37
+COORDS -1.2772060000e+00 -3.3088400000e-01 -8.8565600000e-01 -1.7706520000e+00 -9.5114700000e-01 -1.4223280000e+00 -3.7392100000e-01 -6.4515500000e-01 -9.2492600000e-01  1.2994040000e+00  3.7491000000e-01  8.8161100000e-01  8.0568900000e-01  1.1823010000e+00  1.0251250000e+00  8.9548000000e-01 -2.6147500000e-01  1.4716030000e+00
+ENERGY -1.526583701182e+02
+FORCES  3.4134000000e-03 -2.5829000000e-03 -2.4784000000e-03  2.5460000000e-03  2.1675000000e-03  2.4132000000e-03 -6.7064000000e-03 -8.4100000000e-04 -1.0732000000e-03 -4.8625000000e-03  2.5992000000e-03  4.3229000000e-03  3.2926000000e-03 -3.2140000000e-03  4.3100000000e-05  2.3168000000e-03  1.8712000000e-03 -3.2276000000e-03
+
+JOB 38
+COORDS -5.4034100000e-01 -4.2957900000e-01  1.4310900000e+00 -1.3525030000e+00  5.6035000000e-02  1.5753270000e+00  1.2147000000e-01  5.8793000000e-02  1.9207130000e+00  6.0151200000e-01  3.9108400000e-01 -1.4250300000e+00 -2.8288200000e-01  7.5689000000e-02 -1.2390060000e+00  6.6546800000e-01  3.7684500000e-01 -2.3799840000e+00
+ENERGY -1.526561521784e+02
+FORCES  2.1008000000e-03  4.4514000000e-03  3.8101000000e-03  3.2410000000e-03 -2.1241000000e-03 -2.1080000000e-03 -3.7232000000e-03 -2.3589000000e-03 -6.5300000000e-04 -3.9515000000e-03 -2.8274000000e-03 -7.0490000000e-04  2.8625000000e-03  3.0067000000e-03 -4.4772000000e-03 -5.2950000000e-04 -1.4770000000e-04  4.1330000000e-03
+
+JOB 39
+COORDS -9.8859900000e-01 -1.4079240000e+00  2.2915600000e-01 -5.0647500000e-01 -1.3935270000e+00  1.0559460000e+00 -5.1195100000e-01 -8.0106200000e-01 -3.3719900000e-01  8.7151100000e-01  1.3319570000e+00 -2.4963300000e-01  1.5147350000e+00  1.4525620000e+00 -9.4816600000e-01  1.2192650000e+00  1.8355240000e+00  4.8638300000e-01
+ENERGY -1.526584899170e+02
+FORCES  5.3956000000e-03  5.7775000000e-03  8.2720000000e-04 -2.1989000000e-03 -1.1905000000e-03 -1.9445000000e-03 -3.5785000000e-03 -6.1002000000e-03  4.4680000000e-04  4.3568000000e-03  4.6205000000e-03  8.7750000000e-04 -2.9994000000e-03 -8.9410000000e-04  3.2234000000e-03 -9.7570000000e-04 -2.2133000000e-03 -3.4304000000e-03
+
+JOB 40
+COORDS  1.0531590000e+00 -1.1907050000e+00  3.8320600000e-01  1.9590420000e+00 -1.2454740000e+00  6.8752400000e-01  5.8555200000e-01 -1.8447790000e+00  9.0259300000e-01 -1.1123940000e+00  1.2424380000e+00 -4.9027700000e-01 -1.8050600000e-01  1.0720380000e+00 -3.5324000000e-01 -1.4833740000e+00  1.2709610000e+00  3.9164800000e-01
+ENERGY -1.526572376761e+02
+FORCES  1.3104000000e-03 -5.2663000000e-03  3.0881000000e-03 -4.2099000000e-03  7.3420000000e-04 -1.2847000000e-03  2.6116000000e-03  2.8780000000e-03 -1.6942000000e-03  4.3665000000e-03 -3.1982000000e-03  4.3986000000e-03 -4.6519000000e-03  4.6790000000e-03 -1.4162000000e-03  5.7320000000e-04  1.7340000000e-04 -3.0915000000e-03
+
+JOB 41
+COORDS  1.4708740000e+00  8.2726900000e-01 -3.7204900000e-01  9.6254700000e-01  7.6984400000e-01 -1.1810840000e+00  1.9245950000e+00 -1.3529000000e-02 -3.1351000000e-01 -1.4704240000e+00 -7.4419000000e-01  4.6697100000e-01 -2.1476940000e+00 -1.3108910000e+00  9.7665000000e-02 -7.2624200000e-01 -8.4099800000e-01 -1.2721100000e-01
+ENERGY -1.526529915363e+02
+FORCES  1.4420000000e-03 -1.2694000000e-03 -2.7696000000e-03  1.5262000000e-03 -1.6255000000e-03  4.2828000000e-03 -3.5605000000e-03  3.2048000000e-03 -5.2030000000e-04  1.0718000000e-03 -1.8434000000e-03 -2.9443000000e-03  3.2440000000e-03  2.6988000000e-03  1.3314000000e-03 -3.7237000000e-03 -1.1652000000e-03  6.2000000000e-04
+
+JOB 42
+COORDS  2.9393100000e-01  1.5790840000e+00 -4.7246900000e-01  2.7851500000e-01  1.9894770000e+00 -1.3370920000e+00  1.2097360000e+00  1.6303480000e+00 -1.9878200000e-01 -3.5704200000e-01 -1.6617490000e+00  5.5053200000e-01 -9.8503800000e-01 -9.9603800000e-01  2.7002700000e-01  4.6163000000e-01 -1.4160810000e+00  1.1965600000e-01
+ENERGY -1.526571990663e+02
+FORCES  4.0489000000e-03  4.1128000000e-03 -2.0293000000e-03  1.2700000000e-04 -2.1355000000e-03  3.8537000000e-03 -3.9478000000e-03 -1.0082000000e-03 -1.7778000000e-03  6.6940000000e-04  6.7855000000e-03 -3.6319000000e-03  6.5540000000e-04 -5.0125000000e-03  1.5324000000e-03 -1.5529000000e-03 -2.7420000000e-03  2.0530000000e-03
+
+JOB 43
+COORDS  1.5126560000e+00  2.1278000000e-01 -7.8420600000e-01  8.3866400000e-01  8.6915900000e-01 -9.6065500000e-01  1.7005370000e+00 -1.7414500000e-01 -1.6393210000e+00 -1.4963920000e+00 -2.7928700000e-01  8.9630400000e-01 -2.1426770000e+00  1.7435100000e-01  3.5523100000e-01 -6.5599900000e-01  9.3062000000e-02  6.2923100000e-01
+ENERGY -1.526545336736e+02
+FORCES  1.6030000000e-04 -5.4000000000e-05 -6.5999000000e-03  7.7270000000e-04 -4.1140000000e-03  3.4966000000e-03 -4.6250000000e-04  2.3943000000e-03  3.6474000000e-03  2.4430000000e-03  1.8467000000e-03 -2.7286000000e-03  3.2443000000e-03 -1.5296000000e-03  1.6438000000e-03 -6.1579000000e-03  1.4565000000e-03  5.4060000000e-04
+
+JOB 44
+COORDS -3.3767800000e-01 -1.6474240000e+00  3.1049100000e-01 -9.8895200000e-01 -2.3422290000e+00  2.1395000000e-01 -6.7600100000e-01 -1.0979110000e+00  1.0174600000e+00  4.3432500000e-01  1.6983760000e+00 -3.6634600000e-01 -4.6484300000e-01  1.5297400000e+00 -6.4793300000e-01  5.7804900000e-01  1.0874370000e+00  3.5637700000e-01
+ENERGY -1.526539359722e+02
+FORCES -4.3760000000e-03 -2.8908000000e-03  2.3852000000e-03  2.7906000000e-03  3.2287000000e-03  4.0850000000e-04  2.5461000000e-03 -2.7960000000e-04 -3.9500000000e-03 -2.3875000000e-03 -5.7149000000e-03  1.9300000000e-04  2.9707000000e-03  1.9884000000e-03  1.7957000000e-03 -1.5438000000e-03  3.6682000000e-03 -8.3250000000e-04
+
+JOB 45
+COORDS  1.3726640000e+00 -3.6052400000e-01 -1.0698020000e+00  7.2799700000e-01 -1.0537880000e+00 -9.2830600000e-01  1.1408760000e+00  1.2809000000e-02 -1.9201710000e+00 -1.3278910000e+00  3.6441700000e-01  1.0415440000e+00 -2.0020670000e+00  9.0979000000e-02  1.6635970000e+00 -6.7223600000e-01  8.0945000000e-01  1.5784750000e+00
+ENERGY -1.526561199898e+02
+FORCES -5.7282000000e-03 -9.9350000000e-04 -2.0706000000e-03  4.3136000000e-03  1.5198000000e-03 -1.7412000000e-03  1.4359000000e-03 -1.5087000000e-03  2.9242000000e-03  9.6140000000e-04  1.9577000000e-03  5.0203000000e-03  2.9544000000e-03  8.3190000000e-04 -2.8058000000e-03 -3.9371000000e-03 -1.8072000000e-03 -1.3269000000e-03
+
+JOB 46
+COORDS -8.3481600000e-01 -1.1199570000e+00 -1.1048950000e+00 -1.9219500000e-01 -1.5180560000e+00 -5.1770800000e-01 -1.3687540000e+00 -1.8537780000e+00 -1.4092770000e+00  7.8767900000e-01  1.1508560000e+00  1.1326080000e+00  1.5380770000e+00  7.5585500000e-01  6.8863800000e-01  7.9875600000e-01  2.0665580000e+00  8.5404200000e-01
+ENERGY -1.526536867466e+02
+FORCES  1.2790000000e-04 -4.1858000000e-03  2.6097000000e-03 -1.6553000000e-03  8.1080000000e-04 -3.6072000000e-03  2.1132000000e-03  3.2121000000e-03  1.2630000000e-03  1.9613000000e-03  3.0770000000e-03 -4.2356000000e-03 -3.0244000000e-03  5.0330000000e-04  2.2498000000e-03  4.7730000000e-04 -3.4174000000e-03  1.7204000000e-03
+
+JOB 47
+COORDS -8.0351100000e-01 -1.2497640000e+00 -1.1064150000e+00 -1.5158670000e+00 -1.5496520000e+00 -5.4174900000e-01 -5.6617600000e-01 -3.9059000000e-01 -7.5752400000e-01  8.0755100000e-01  1.1685380000e+00  1.0381830000e+00  9.6036600000e-01  1.4735630000e+00  1.9325200000e+00  1.0912690000e+00  1.8961280000e+00  4.8469500000e-01
+ENERGY -1.526573057659e+02
+FORCES -5.4590000000e-04  3.1398000000e-03  5.6609000000e-03  2.1903000000e-03  6.5170000000e-04 -2.4424000000e-03 -2.5401000000e-03 -3.9905000000e-03 -4.6838000000e-03  3.2288000000e-03  4.4940000000e-03  3.2887000000e-03 -3.9980000000e-04 -8.2740000000e-04 -3.9193000000e-03 -1.9334000000e-03 -3.4676000000e-03  2.0958000000e-03
+
+JOB 48
+COORDS  1.7659800000e-01  1.8373900000e+00 -1.9192900000e-01  3.6652300000e-01  2.6251500000e+00 -7.0143400000e-01  6.5595200000e-01  1.1404460000e+00 -6.3994800000e-01 -2.2129000000e-01 -1.8295200000e+00  1.7626500000e-01 -3.3166300000e-01 -2.6676730000e+00  6.2520800000e-01  1.1884000000e-02 -1.2139310000e+00  8.7118300000e-01
+ENERGY -1.526560383869e+02
+FORCES  2.1763000000e-03  5.2170000000e-04 -5.1182000000e-03 -7.0470000000e-04 -3.1262000000e-03  1.9627000000e-03 -1.4116000000e-03  3.6833000000e-03  3.2511000000e-03 -6.3380000000e-04 -1.1079000000e-03  5.4130000000e-03  3.8390000000e-04  3.3890000000e-03 -1.7145000000e-03  1.9010000000e-04 -3.3598000000e-03 -3.7941000000e-03
+
+JOB 49
+COORDS  9.5086800000e-01 -3.0495800000e-01 -1.5298770000e+00  1.2232030000e+00  2.5797500000e-01 -2.2545640000e+00  8.4269200000e-01 -1.1698770000e+00 -1.9254080000e+00 -9.0536700000e-01  3.2800700000e-01  1.5648150000e+00 -1.1770910000e+00 -2.7346700000e-01  2.2580880000e+00 -1.6961690000e+00  8.2454400000e-01  1.3543040000e+00
+ENERGY -1.526520549259e+02
+FORCES  5.3780000000e-04 -1.4053000000e-03 -4.0502000000e-03 -1.3173000000e-03 -2.1608000000e-03  3.1609000000e-03  4.9260000000e-04  3.5213000000e-03  1.5892000000e-03 -4.1173000000e-03 -3.9530000000e-04  1.0892000000e-03  1.2769000000e-03  2.3098000000e-03 -2.9440000000e-03  3.1274000000e-03 -1.8697000000e-03  1.1550000000e-03
+
+JOB 50
+COORDS -1.6158320000e+00  9.2716000000e-02  1.0333350000e+00 -1.7108370000e+00 -2.7116000000e-01  1.5310800000e-01 -1.9508270000e+00  9.8646000000e-01  9.6100100000e-01  1.6709310000e+00 -1.7041400000e-01 -9.7675100000e-01  1.9586260000e+00  6.6680200000e-01 -1.3408010000e+00  7.5881900000e-01 -2.2689000000e-02 -7.2683100000e-01
+ENERGY -1.526543048395e+02
+FORCES -4.3866000000e-03  1.7544000000e-03 -2.1115000000e-03  2.7803000000e-03  2.5414000000e-03  3.4051000000e-03  2.0124000000e-03 -4.0323000000e-03 -8.3300000000e-05 -2.3841000000e-03  4.2595000000e-03  1.2354000000e-03 -1.2900000000e-03 -3.3935000000e-03  1.2965000000e-03  3.2681000000e-03 -1.1295000000e-03 -3.7421000000e-03
+
+JOB 51
+COORDS -1.2812810000e+00 -7.6836400000e-01 -1.2670390000e+00 -5.2886800000e-01 -3.3820800000e-01 -8.6074900000e-01 -2.0207670000e+00 -1.9251200000e-01 -1.0726520000e+00  1.3397590000e+00  6.6589600000e-01  1.2097540000e+00  4.5314500000e-01  4.0452500000e-01  1.4584150000e+00  1.3472680000e+00  1.6174880000e+00  1.3129480000e+00
+ENERGY -1.526552476730e+02
+FORCES  1.1680000000e-03  4.0299000000e-03  1.1567000000e-03 -5.6345000000e-03 -2.2001000000e-03 -9.8070000000e-04  3.1995000000e-03 -2.2880000000e-03 -1.4050000000e-04 -1.8493000000e-03  3.4070000000e-03  4.0647000000e-03  3.5199000000e-03  1.4358000000e-03 -3.4270000000e-03 -4.0360000000e-04 -4.3846000000e-03 -6.7320000000e-04
+
+JOB 52
+COORDS  5.7354100000e-01 -1.6395720000e+00 -7.4192500000e-01  1.1835280000e+00 -1.6530650000e+00 -1.4794650000e+00  3.3495600000e-01 -2.5572690000e+00 -6.1099900000e-01 -5.4257400000e-01  1.7354030000e+00  8.0711500000e-01 -1.3988490000e+00  2.0031250000e+00  4.7342400000e-01 -5.2046300000e-01  7.8720300000e-01  6.7803800000e-01
+ENERGY -1.526571114232e+02
+FORCES  2.7530000000e-03 -4.3170000000e-03 -3.2996000000e-03 -2.7146000000e-03 -6.1710000000e-04  2.9998000000e-03  8.8910000000e-04  3.9403000000e-03 -6.2730000000e-04 -2.5006000000e-03 -4.1761000000e-03 -2.5461000000e-03  3.1083000000e-03 -7.8480000000e-04  1.3424000000e-03 -1.5352000000e-03  5.9547000000e-03  2.1309000000e-03
+
+JOB 53
+COORDS  8.4274100000e-01  1.6523360000e+00 -6.8115400000e-01 -9.3781000000e-02  1.8444150000e+00 -6.3356500000e-01  9.8791300000e-01  1.3893820000e+00 -1.5900060000e+00 -7.8522900000e-01 -1.5927590000e+00  6.9301200000e-01 -1.6060930000e+00 -1.9631270000e+00  1.0174230000e+00 -1.0798000000e-01 -2.1809860000e+00  1.0270100000e+00
+ENERGY -1.526541584769e+02
+FORCES -4.3386000000e-03 -1.9868000000e-03 -2.8180000000e-03  3.8924000000e-03  6.9120000000e-04 -6.9860000000e-04 -1.3790000000e-04  1.4575000000e-03  3.3096000000e-03  5.2640000000e-04 -3.9459000000e-03  3.1744000000e-03  3.2669000000e-03  1.8857000000e-03 -1.5443000000e-03 -3.2093000000e-03  1.8983000000e-03 -1.4231000000e-03
+
+JOB 54
+COORDS -9.6505300000e-01 -1.5166980000e+00 -9.6008000000e-01 -5.3413300000e-01 -1.2626210000e+00 -1.4400200000e-01 -8.7720200000e-01 -7.5017200000e-01 -1.5266060000e+00  9.4550700000e-01  1.4941930000e+00  8.8606700000e-01  3.3034200000e-01  1.6829830000e+00  1.5947010000e+00  1.4315870000e+00  7.2696800000e-01  1.1882640000e+00
+ENERGY -1.526554883080e+02
+FORCES  2.4366000000e-03  5.6107000000e-03  7.5870000000e-04 -1.6206000000e-03 -2.4574000000e-03 -2.3647000000e-03 -9.2210000000e-04 -3.9363000000e-03  1.6201000000e-03  7.8930000000e-04 -3.6320000000e-04  5.3182000000e-03  2.5798000000e-03 -1.4003000000e-03 -3.3906000000e-03 -3.2630000000e-03  2.5465000000e-03 -1.9418000000e-03
+
+JOB 55
+COORDS -1.7824010000e+00 -3.4546400000e-01 -6.7379300000e-01 -1.8887400000e+00 -8.4642300000e-01 -1.4824740000e+00 -2.1684290000e+00 -8.9976900000e-01  4.4100000000e-03  1.8561970000e+00  4.4453700000e-01  7.0714200000e-01  9.0961700000e-01  4.4886900000e-01  8.4926200000e-01  1.9929710000e+00 -2.0944200000e-01  2.1696000000e-02
+ENERGY -1.526564057998e+02
+FORCES -3.8029000000e-03 -4.3530000000e-03 -1.7685000000e-03  5.3850000000e-04  1.9406000000e-03  3.6433000000e-03  2.4296000000e-03  2.5121000000e-03 -2.7020000000e-03 -4.8561000000e-03 -2.2736000000e-03 -3.2990000000e-03  5.1964000000e-03  1.4400000000e-05  1.3529000000e-03  4.9440000000e-04  2.1595000000e-03  2.7734000000e-03
+
+JOB 56
+COORDS  1.2118000000e-01  1.2491160000e+00  1.5933350000e+00  2.8546000000e-01  6.6084000000e-01  8.5633100000e-01  6.6811700000e-01  2.0144090000e+00  1.4160800000e+00 -1.9464300000e-01 -1.2296850000e+00 -1.4966720000e+00  2.0815900000e-01 -2.0979160000e+00 -1.4841030000e+00  2.2074000000e-02 -8.7705800000e-01 -2.3597600000e+00
+ENERGY -1.526567755809e+02
+FORCES  2.1292000000e-03 -4.3900000000e-04 -4.6795000000e-03  4.6090000000e-04  4.2486000000e-03  5.0754000000e-03 -2.0040000000e-03 -2.8098000000e-03  6.6400000000e-04  1.5534000000e-03 -3.6010000000e-03 -4.8435000000e-03 -1.5458000000e-03  3.9772000000e-03 -1.7180000000e-04 -5.9360000000e-04 -1.3760000000e-03  3.9555000000e-03
+
+JOB 57
+COORDS  3.3613000000e-02  1.2280970000e+00  1.6759890000e+00 -6.6326600000e-01  8.2145800000e-01  2.1910000000e+00 -4.2573300000e-01  1.7914770000e+00  1.0532240000e+00  7.5411000000e-02 -1.2313870000e+00 -1.7094290000e+00 -3.3413200000e-01 -2.0494080000e+00 -1.4277410000e+00 -3.1571200000e-01 -5.6159700000e-01 -1.1485050000e+00
+ENERGY -1.526542222687e+02
+FORCES -4.0959000000e-03  2.0587000000e-03  1.2762000000e-03  2.9103000000e-03  1.3723000000e-03 -2.8718000000e-03  1.7975000000e-03 -3.5741000000e-03  1.9735000000e-03 -2.3244000000e-03 -4.4270000000e-04  4.5301000000e-03  1.3975000000e-03  3.2268000000e-03 -1.3127000000e-03  3.1500000000e-04 -2.6410000000e-03 -3.5954000000e-03
+
+JOB 58
+COORDS -6.3117800000e-01 -1.6907900000e-01  1.9914520000e+00 -7.9637800000e-01 -2.0004600000e-01  1.0491240000e+00 -1.4948900000e+00 -2.7530600000e-01  2.3901360000e+00  6.1717100000e-01  1.8806300000e-01 -1.9740060000e+00  1.0295450000e+00 -2.8700200000e-01 -1.2525540000e+00  1.3481330000e+00  4.7442400000e-01 -2.5216600000e+00
+ENERGY -1.526554101576e+02
+FORCES -5.0868000000e-03  7.3400000000e-05 -2.2751000000e-03  1.8105000000e-03 -8.5540000000e-04  4.4402000000e-03  3.5111000000e-03  4.0150000000e-04 -1.4431000000e-03  5.8389000000e-03 -2.7620000000e-04 -9.0100000000e-05 -3.0999000000e-03  2.0112000000e-03 -2.7220000000e-03 -2.9738000000e-03 -1.3546000000e-03  2.0900000000e-03
+
+JOB 59
+COORDS -6.4413000000e-02  1.5793700000e+00  1.3513410000e+00 -3.7711700000e-01  1.8173730000e+00  4.7852800000e-01 -5.2113000000e-01  2.1787350000e+00  1.9415980000e+00  1.2552700000e-01 -1.5658700000e+00 -1.3136680000e+00 -6.9029400000e-01 -1.8260270000e+00 -1.7414370000e+00  6.3350500000e-01 -2.3749180000e+00 -1.2534100000e+00
+ENERGY -1.526537831303e+02
+FORCES -2.9220000000e-03  2.6729000000e-03 -2.1440000000e-03  8.7120000000e-04  1.3620000000e-04  4.0945000000e-03  1.8277000000e-03 -2.5702000000e-03 -2.2989000000e-03 -8.4120000000e-04 -4.8345000000e-03 -6.5300000000e-04  3.2561000000e-03  1.4301000000e-03  1.6204000000e-03 -2.1918000000e-03  3.1655000000e-03 -6.1910000000e-04
+
+JOB 60
+COORDS  1.7218800000e+00 -5.0175900000e-01  1.0726600000e+00  1.5331010000e+00 -1.4191660000e+00  8.7527800000e-01  2.6368120000e+00 -5.0015400000e-01  1.3539580000e+00 -1.7811520000e+00  5.7984500000e-01 -1.1203130000e+00 -1.3293330000e+00  9.0640900000e-01 -3.4220800000e-01 -1.7861730000e+00 -3.7135300000e-01 -1.0134130000e+00
+ENERGY -1.526552883245e+02
+FORCES  4.1759000000e-03 -3.6639000000e-03  4.2690000000e-04  1.6840000000e-04  3.8896000000e-03  7.8470000000e-04 -3.8113000000e-03 -2.3590000000e-04 -1.1162000000e-03  2.9410000000e-03 -2.2286000000e-03  4.1382000000e-03 -3.1759000000e-03 -1.0801000000e-03 -3.5568000000e-03 -2.9810000000e-04  3.3190000000e-03 -6.7680000000e-04
+
+JOB 61
+COORDS  1.7054520000e+00  8.3749300000e-01  1.1592910000e+00  2.5933430000e+00  4.9101000000e-01  1.2477830000e+00  1.3267070000e+00  3.4410200000e-01  4.3172700000e-01 -1.7090870000e+00 -8.4723900000e-01 -1.1021070000e+00 -2.5191520000e+00 -4.1074800000e-01 -8.3847400000e-01 -1.3634390000e+00 -3.0417600000e-01 -1.8105150000e+00
+ENERGY -1.526552017522e+02
+FORCES  1.4199000000e-03 -4.1904000000e-03 -2.3906000000e-03 -3.4568000000e-03  1.4983000000e-03 -4.0240000000e-04  2.6744000000e-03  3.0232000000e-03  2.6597000000e-03 -3.3657000000e-03  3.9095000000e-03 -1.8147000000e-03  3.3492000000e-03 -1.9271000000e-03 -1.4359000000e-03 -6.2100000000e-04 -2.3134000000e-03  3.3840000000e-03
+
+JOB 62
+COORDS  3.1907900000e-01  7.2813100000e-01 -2.1763950000e+00  7.5500300000e-01 -1.1892000000e-02 -1.7538220000e+00  8.3001000000e-02  1.3113810000e+00 -1.4550640000e+00 -3.7492700000e-01 -7.5840100000e-01  2.1163700000e+00  4.8893000000e-01 -9.6519700000e-01  1.7596950000e+00 -3.5781800000e-01  1.8889700000e-01  2.2526220000e+00
+ENERGY -1.526533963973e+02
+FORCES  2.1200000000e-05 -1.0281000000e-03  4.5203000000e-03 -1.2188000000e-03  3.2719000000e-03 -1.4907000000e-03  1.4735000000e-03 -2.1734000000e-03 -2.7715000000e-03  3.4100000000e-03  2.5971000000e-03  3.8750000000e-04 -3.7457000000e-03  1.2522000000e-03  6.3060000000e-04  5.9700000000e-05 -3.9197000000e-03 -1.2762000000e-03
+
+JOB 63
+COORDS -2.2334260000e+00  2.3190700000e-01  1.8946500000e-01 -2.3985120000e+00  1.0350220000e+00  6.8341300000e-01 -2.6167740000e+00 -4.6247700000e-01  7.2529000000e-01  2.2503590000e+00 -1.7677900000e-01 -2.6773900000e-01  3.0437300000e+00 -6.0546200000e-01  5.3238000000e-02  1.5372820000e+00 -7.5011000000e-01  1.3410000000e-02
+ENERGY -1.526545341529e+02
+FORCES -2.7697000000e-03  1.3538000000e-03  4.0107000000e-03  4.3230000000e-04 -3.5749000000e-03 -1.9254000000e-03  2.0694000000e-03  2.6338000000e-03 -2.2107000000e-03 -6.1520000000e-04 -3.9753000000e-03  2.1205000000e-03 -3.2014000000e-03  1.7537000000e-03 -1.2145000000e-03  4.0846000000e-03  1.8088000000e-03 -7.8060000000e-04
+
+JOB 64
+COORDS  8.6443300000e-01 -4.9348200000e-01  2.0800140000e+00  9.9013100000e-01 -5.2607600000e-01  3.0283650000e+00 -7.3213000000e-02 -6.4152200000e-01  1.9569790000e+00 -8.1456800000e-01  5.5873300000e-01 -2.1754350000e+00 -1.6736900000e-01 -1.0643700000e-01 -1.9410960000e+00 -1.5587700000e+00  3.8280800000e-01 -1.5997220000e+00
+ENERGY -1.526540239058e+02
+FORCES -2.9598000000e-03 -3.9280000000e-04  4.1538000000e-03 -6.1660000000e-04  7.9900000000e-05 -3.9554000000e-03  3.7129000000e-03  4.1980000000e-04 -2.2070000000e-04  3.4700000000e-04 -3.2525000000e-03  3.4058000000e-03 -3.3024000000e-03  2.5677000000e-03 -1.2955000000e-03  2.8189000000e-03  5.7780000000e-04 -2.0880000000e-03
+
+JOB 65
+COORDS -8.0070500000e-01  1.3665200000e-01 -2.1524860000e+00 -8.7284700000e-01  5.9023500000e-01 -2.9923010000e+00 -1.1781260000e+00 -7.2811900000e-01 -2.3135960000e+00  7.6030600000e-01 -9.4532000000e-02  2.1914970000e+00  1.5587560000e+00  2.1883800000e-01  1.7666330000e+00  1.0587530000e+00 -7.8424600000e-01  2.7843340000e+00
+ENERGY -1.526536377691e+02
+FORCES -2.2598000000e-03 -1.8923000000e-03 -3.6161000000e-03  4.5200000000e-04 -1.8006000000e-03  3.4850000000e-03  1.6244000000e-03  3.5418000000e-03  2.8290000000e-04  4.4329000000e-03 -1.2120000000e-03 -1.5520000000e-04 -2.9126000000e-03 -1.3363000000e-03  2.3895000000e-03 -1.3370000000e-03  2.6994000000e-03 -2.3861000000e-03
+
+JOB 66
+COORDS  1.8116630000e+00 -8.4354700000e-01 -1.1266860000e+00  2.1613150000e+00 -1.7341710000e+00 -1.0990380000e+00  2.4108850000e+00 -3.6823700000e-01 -1.7022240000e+00 -1.8332730000e+00  8.7036800000e-01  1.2122840000e+00 -2.4145180000e+00  1.4984990000e+00  7.8352100000e-01 -1.7370450000e+00  1.6040700000e-01  5.7751700000e-01
+ENERGY -1.526546086740e+02
+FORCES  4.4774000000e-03 -1.4131000000e-03 -1.9429000000e-03 -1.6077000000e-03  3.6311000000e-03 -2.2570000000e-04 -2.4953000000e-03 -2.1006000000e-03  2.1998000000e-03 -9.4680000000e-04 -6.7510000000e-04 -4.8219000000e-03  2.1710000000e-03 -2.3766000000e-03  1.7928000000e-03 -1.5985000000e-03  2.9343000000e-03  2.9979000000e-03
+
+JOB 67
+COORDS  1.3883260000e+00  2.6314400000e-01 -1.9685400000e+00  1.4130750000e+00 -4.4829500000e-01 -1.3286390000e+00  2.3044250000e+00  5.1687400000e-01 -2.0808620000e+00 -1.4777370000e+00 -2.8315600000e-01  1.9756950000e+00 -1.7358760000e+00  1.6989100000e-01  1.1729850000e+00 -5.8878600000e-01  2.5838000000e-02  2.1503940000e+00
+ENERGY -1.526547314830e+02
+FORCES  4.2654000000e-03 -2.2702000000e-03  1.3813000000e-03 -2.7180000000e-04  3.5033000000e-03 -2.2697000000e-03 -3.8390000000e-03 -1.0331000000e-03  6.3350000000e-04  2.1064000000e-03  3.7225000000e-03 -2.6119000000e-03  1.0684000000e-03 -2.2077000000e-03  3.6038000000e-03 -3.3295000000e-03 -1.7147000000e-03 -7.3700000000e-04
+
+JOB 68
+COORDS -1.6166450000e+00  1.2535240000e+00  1.4911850000e+00 -1.1430720000e+00  1.1709150000e+00  6.6345600000e-01 -2.3848040000e+00  6.9233100000e-01  1.3852280000e+00  1.6093450000e+00 -1.1504050000e+00 -1.4516590000e+00  1.1925370000e+00 -1.7666450000e+00 -8.4937100000e-01  2.3769330000e+00 -1.6182480000e+00 -1.7805420000e+00
+ENERGY -1.526548355650e+02
+FORCES -9.2850000000e-04 -2.1626000000e-03 -4.2020000000e-03 -2.4719000000e-03  1.6700000000e-04  3.8907000000e-03  3.1430000000e-03  2.0508000000e-03  5.4430000000e-04  2.1915000000e-03 -4.6472000000e-03  1.0158000000e-03  1.2862000000e-03  2.7986000000e-03 -2.5964000000e-03 -3.2202000000e-03  1.7933000000e-03  1.3476000000e-03
+
+JOB 69
+COORDS  8.0688000000e-01  2.2730970000e+00 -8.5444600000e-01  1.8252900000e-01  2.7508470000e+00 -1.4004990000e+00  7.7275300000e-01  2.7164840000e+00 -6.8170000000e-03 -7.8409900000e-01 -2.3643120000e+00  8.8764300000e-01  8.4086000000e-02 -2.1552080000e+00  5.4302400000e-01 -1.3899410000e+00 -1.9019740000e+00  3.0847900000e-01
+ENERGY -1.526550077707e+02
+FORCES -2.4166000000e-03  4.3668000000e-03  1.2774000000e-03  2.4607000000e-03 -2.1591000000e-03  2.2719000000e-03  7.9200000000e-05 -1.9146000000e-03 -3.6025000000e-03  1.4256000000e-03  3.1581000000e-03 -4.0657000000e-03 -3.5716000000e-03 -1.3564000000e-03  1.6576000000e-03  2.0227000000e-03 -2.0949000000e-03  2.4613000000e-03
+
+JOB 70
+COORDS  9.3182400000e-01  5.6443300000e-01  2.3131550000e+00  2.8307300000e-01  7.4942100000e-01  2.9922230000e+00  1.6633720000e+00  1.1478690000e+00  2.5148270000e+00 -9.5553200000e-01 -6.1747700000e-01 -2.3071920000e+00 -1.4139580000e+00 -4.1795600000e-01 -3.1234450000e+00 -3.1842000000e-02 -6.5926500000e-01 -2.5547450000e+00
+ENERGY -1.526536065672e+02
+FORCES -2.0790000000e-04  3.1150000000e-03  3.4547000000e-03  2.8540000000e-03 -7.0250000000e-04 -2.5605000000e-03 -2.8646000000e-03 -2.4232000000e-03 -9.2310000000e-04  2.3455000000e-03  6.9660000000e-04 -3.8410000000e-03  1.7649000000e-03 -7.8400000000e-04  3.3518000000e-03 -3.8919000000e-03  9.8100000000e-05  5.1810000000e-04
+
+JOB 71
+COORDS -1.8564320000e+00  1.2094750000e+00 -1.7186620000e+00 -9.2642700000e-01  1.0103490000e+00 -1.8266990000e+00 -2.0927560000e+00  1.6898620000e+00 -2.5121420000e+00  1.8058790000e+00 -1.1741590000e+00  1.7402830000e+00  2.6057120000e+00 -1.3627340000e+00  2.2311380000e+00  1.3020170000e+00 -1.9869900000e+00  1.7810500000e+00
+ENERGY -1.526543956350e+02
+FORCES  3.2247000000e-03  1.1540000000e-03 -3.2958000000e-03 -4.1261000000e-03  8.5320000000e-04 -3.1700000000e-05  8.9050000000e-04 -1.9462000000e-03  3.1690000000e-03  9.6790000000e-04 -4.0962000000e-03  2.4727000000e-03 -3.2267000000e-03  7.5950000000e-04 -2.0577000000e-03  2.2697000000e-03  3.2757000000e-03 -2.5650000000e-04
+
+JOB 72
+COORDS -1.5239950000e+00 -1.5945220000e+00  1.9030460000e+00 -1.5922630000e+00 -2.1034450000e+00  1.0952280000e+00 -9.4773600000e-01 -8.6396100000e-01  1.6784610000e+00  1.4606960000e+00  1.5272010000e+00 -1.8220910000e+00  2.3597480000e+00  1.7890880000e+00 -1.6237160000e+00  1.0921960000e+00  2.2733570000e+00 -2.2950520000e+00
+ENERGY -1.526550118378e+02
+FORCES  2.3277000000e-03  1.1370000000e-03 -4.5968000000e-03  6.0700000000e-05  1.7972000000e-03  3.3984000000e-03 -2.5244000000e-03 -3.0806000000e-03  1.4085000000e-03  2.3794000000e-03  4.3328000000e-03 -1.4671000000e-03 -3.7626000000e-03 -1.0922000000e-03 -7.4360000000e-04  1.5192000000e-03 -3.0941000000e-03  2.0004000000e-03
+
+JOB 73
+COORDS  2.8727000000e-02 -2.9104940000e+00  4.1406300000e-01 -2.0042700000e-01 -2.5936080000e+00 -4.5960900000e-01  8.0061900000e-01 -2.4004370000e+00  6.5953700000e-01 -7.8725000000e-02  2.8962840000e+00 -3.3223500000e-01  2.4699100000e-01  2.0084840000e+00 -4.8040200000e-01 -7.6457000000e-02  3.3006570000e+00 -1.1998230000e+00
+ENERGY -1.526534888008e+02
+FORCES  2.1228000000e-03  3.0073000000e-03 -2.3216000000e-03  1.0975000000e-03 -9.9350000000e-04  3.5731000000e-03 -3.2421000000e-03 -1.8586000000e-03 -1.2792000000e-03  1.1848000000e-03 -1.6793000000e-03 -4.1318000000e-03 -1.1882000000e-03  3.3178000000e-03  5.6530000000e-04  2.5300000000e-05 -1.7936000000e-03  3.5942000000e-03
+
+JOB 74
+COORDS  1.9102990000e+00  2.8904800000e-01  2.6514050000e+00  1.1370320000e+00  8.4735600000e-01  2.7325360000e+00  2.5776920000e+00  8.5774100000e-01  2.2674710000e+00 -1.9241230000e+00 -3.2372000000e-01 -2.6931810000e+00 -1.0713530000e+00 -5.9635600000e-01 -2.3545280000e+00 -2.5414890000e+00 -5.4687100000e-01 -1.9965490000e+00
+ENERGY -1.526543436330e+02
+FORCES -1.9260000000e-04  4.7972000000e-03 -9.1940000000e-04  3.0612000000e-03 -2.4395000000e-03 -4.9650000000e-04 -2.8111000000e-03 -2.4052000000e-03  1.4874000000e-03  9.9980000000e-04 -2.2917000000e-03  4.2011000000e-03 -3.5245000000e-03  1.2934000000e-03 -1.4480000000e-03  2.4672000000e-03  1.0459000000e-03 -2.8246000000e-03
+
+JOB 75
+COORDS  1.5309260000e+00  1.8257810000e+00 -2.4013230000e+00  1.8585390000e+00  1.1465230000e+00 -1.8118230000e+00  7.7762100000e-01  2.1983210000e+00 -1.9430910000e+00 -1.4942090000e+00 -1.7398160000e+00  2.3642200000e+00 -2.3560390000e+00 -2.1560050000e+00  2.3806080000e+00 -8.9568800000e-01 -2.4377490000e+00  2.0979610000e+00
+ENERGY -1.526544450227e+02
+FORCES -1.8735000000e-03 -1.2191000000e-03  4.4953000000e-03 -1.1809000000e-03  2.6678000000e-03 -2.5360000000e-03  3.1130000000e-03 -1.4292000000e-03 -2.0360000000e-03 -1.2792000000e-03 -4.7370000000e-03 -7.9520000000e-04  3.5669000000e-03  1.7184000000e-03 -9.7100000000e-05 -2.3463000000e-03  2.9992000000e-03  9.6900000000e-04
+
+JOB 76
+COORDS -3.4806290000e+00  1.1291530000e+00 -1.9059120000e+00 -3.8339480000e+00  4.7139300000e-01 -2.5048690000e+00 -3.4087530000e+00  1.9227370000e+00 -2.4362800000e+00  3.5586870000e+00 -1.1262260000e+00  1.9678910000e+00  2.9059770000e+00 -5.0820700000e-01  1.6388720000e+00  3.0475130000e+00 -1.8771480000e+00  2.2696360000e+00
+ENERGY -1.526543203286e+02
+FORCES -1.2672000000e-03  6.1230000000e-04 -4.6774000000e-03  1.4816000000e-03  2.6624000000e-03  2.4725000000e-03 -2.5720000000e-04 -3.2586000000e-03  2.1854000000e-03 -4.8801000000e-03 -4.8950000000e-04 -1.3440000000e-04  2.7752000000e-03 -2.5238000000e-03  1.3570000000e-03  2.1477000000e-03  2.9973000000e-03 -1.2031000000e-03
+
+JOB 77
+COORDS -1.8054870000e+00  1.4667100000e+00  3.5319130000e+00 -2.0711490000e+00  2.2763290000e+00  3.9680000000e+00 -1.7839340000e+00  1.6911230000e+00  2.6016410000e+00  1.7903260000e+00 -1.5265180000e+00 -3.4474650000e+00  2.1453050000e+00 -6.9117000000e-01 -3.7514640000e+00  1.9092070000e+00 -2.1214630000e+00 -4.1878290000e+00
+ENERGY -1.526540307643e+02
+FORCES -9.4250000000e-04  4.1027000000e-03 -2.1342000000e-03  1.0789000000e-03 -3.2814000000e-03 -1.7522000000e-03 -1.3810000000e-04 -8.0040000000e-04  3.8704000000e-03  1.9960000000e-03  8.7970000000e-04 -4.2452000000e-03 -1.4997000000e-03 -3.3600000000e-03  1.2539000000e-03 -4.9460000000e-04  2.4594000000e-03  3.0074000000e-03
+
+JOB 78
+COORDS -1.5581840000e+00  9.5469700000e-01 -3.9385320000e+00 -1.3115170000e+00  5.9546600000e-01 -4.7907880000e+00 -2.3747740000e+00  1.4259150000e+00 -4.1039590000e+00  1.5600650000e+00 -9.0412500000e-01  3.9860020000e+00  2.5038270000e+00 -1.0536850000e+00  3.9296250000e+00  1.1920920000e+00 -1.7651210000e+00  4.1847840000e+00
+ENERGY -1.526539191636e+02
+FORCES -2.3308000000e-03  5.0190000000e-04 -4.0676000000e-03 -9.9540000000e-04  1.4444000000e-03  3.4675000000e-03  3.3290000000e-03 -1.9396000000e-03  6.3280000000e-04  2.3063000000e-03 -4.1063000000e-03  3.9560000000e-04 -3.8242000000e-03  6.0090000000e-04  3.0360000000e-04  1.5151000000e-03  3.4986000000e-03 -7.3190000000e-04
+
+JOB 79
+COORDS  3.7880260000e+00  1.5162350000e+00  1.6515810000e+00  4.6980380000e+00  1.2682510000e+00  1.8147170000e+00  3.2817340000e+00  9.9397600000e-01  2.2737920000e+00 -3.8408610000e+00 -1.5167530000e+00 -1.6733650000e+00 -3.0228910000e+00 -1.5755090000e+00 -2.1670310000e+00 -4.0434980000e+00 -5.8142600000e-01 -1.6551170000e+00
+ENERGY -1.526542270672e+02
+FORCES  1.6889000000e-03 -3.1380000000e-03  3.2781000000e-03 -3.7171000000e-03  1.0092000000e-03 -6.8480000000e-04  2.0527000000e-03  2.1408000000e-03 -2.5833000000e-03  2.5512000000e-03  3.6374000000e-03 -1.9708000000e-03 -3.3596000000e-03  1.8540000000e-04  2.0201000000e-03  7.8390000000e-04 -3.8348000000e-03 -5.9300000000e-05
+
+JOB 80
+COORDS -2.1087020000e+00  3.0160860000e+00 -2.9135600000e+00 -1.5072390000e+00  2.8231620000e+00 -2.1943560000e+00 -2.8180320000e+00  2.3817840000e+00 -2.8099050000e+00  2.1687290000e+00 -2.9900850000e+00  2.9114210000e+00  2.0581090000e+00 -2.3291070000e+00  2.2279710000e+00  1.3203630000e+00 -3.4308610000e+00  2.9585620000e+00
+ENERGY -1.526538967920e+02
+FORCES -4.9100000000e-04 -3.2724000000e-03  3.3120000000e-03 -2.4405000000e-03  6.9950000000e-04 -2.9139000000e-03  2.9479000000e-03  2.5481000000e-03 -3.8680000000e-04 -3.8401000000e-03  8.1230000000e-04 -2.5621000000e-03  3.8040000000e-04 -2.6481000000e-03  2.7752000000e-03  3.4433000000e-03  1.8605000000e-03 -2.2450000000e-04
+
+JOB 81
+COORDS -1.3515950000e+00 -3.0835000000e+00 -3.8401430000e+00 -7.6518500000e-01 -2.4513290000e+00 -4.2557340000e+00 -8.2878400000e-01 -3.4700190000e+00 -3.1376450000e+00  1.2876990000e+00  3.0955180000e+00  3.7572220000e+00  5.3620500000e-01  2.9734770000e+00  4.3373900000e+00  2.0356750000e+00  2.7784990000e+00  4.2634460000e+00
+ENERGY -1.526541259796e+02
+FORCES  4.5357000000e-03  1.0933000000e-03  1.2062000000e-03 -2.3914000000e-03 -2.6225000000e-03  1.6593000000e-03 -2.1387000000e-03  1.5203000000e-03 -2.8708000000e-03 -5.5600000000e-05 -1.7363000000e-03  4.4714000000e-03  3.0888000000e-03  4.7970000000e-04 -2.3722000000e-03 -3.0388000000e-03  1.2655000000e-03 -2.0940000000e-03
+
+JOB 82
+COORDS  3.7819460000e+00 -1.9427240000e+00  2.8327760000e+00  3.3842400000e+00 -1.0973220000e+00  3.0410000000e+00  4.7233380000e+00 -1.7930860000e+00  2.9200720000e+00 -3.7537580000e+00  1.8797150000e+00 -2.8713700000e+00 -4.2428500000e+00  1.4015700000e+00 -2.2017450000e+00 -4.2864450000e+00  2.6546410000e+00 -3.0501590000e+00
+ENERGY -1.526540651704e+02
+FORCES  2.2076000000e-03  4.0912000000e-03  1.1163000000e-03  1.6249000000e-03 -3.4629000000e-03 -7.9030000000e-04 -3.8314000000e-03 -6.2220000000e-04 -3.2530000000e-04 -4.1786000000e-03  1.1462000000e-03  1.9849000000e-03  1.9918000000e-03  1.9910000000e-03 -2.7236000000e-03  2.1858000000e-03 -3.1433000000e-03  7.3800000000e-04
+
+JOB 83
+COORDS -3.5415550000e+00  3.6896010000e+00  5.2816000000e-02 -3.1736040000e+00  4.5650680000e+00  1.7282300000e-01 -4.1064440000e+00  3.5601960000e+00  8.1464700000e-01  3.4924220000e+00 -3.7100850000e+00 -8.1047000000e-02  4.2353800000e+00 -3.1533950000e+00 -3.1416100000e-01  3.8054160000e+00 -4.6024620000e+00 -2.2913300000e-01
+ENERGY -1.526539877360e+02
+FORCES -7.5860000000e-04  2.9617000000e-03  3.6308000000e-03 -1.5112000000e-03 -3.5439000000e-03 -5.0540000000e-04  2.2770000000e-03  5.6970000000e-04 -3.1179000000e-03  4.2608000000e-03 -1.3254000000e-03 -1.6045000000e-03 -3.0008000000e-03 -2.2921000000e-03  9.7470000000e-04 -1.2671000000e-03  3.6300000000e-03  6.2230000000e-04
+
+JOB 84
+COORDS  5.1180160000e+00 -1.8693920000e+00 -1.2812670000e+00  5.1659210000e+00 -2.4195270000e+00 -4.9941700000e-01  4.5977190000e+00 -1.1128220000e+00 -1.0108520000e+00 -5.1351420000e+00  1.9096330000e+00  1.2033900000e+00 -5.0002040000e+00  1.0732390000e+00  7.5789100000e-01 -4.5358990000e+00  1.8836280000e+00  1.9493550000e+00
+ENERGY -1.526540087491e+02
+FORCES -1.8588000000e-03  8.5790000000e-04  4.2736000000e-03 -2.3390000000e-04  2.2494000000e-03 -3.1868000000e-03  2.0832000000e-03 -3.1087000000e-03 -1.0862000000e-03  2.9311000000e-03 -3.5193000000e-03  1.2151000000e-03 -5.1370000000e-04  3.4199000000e-03  1.8361000000e-03 -2.4079000000e-03  1.0080000000e-04 -3.0517000000e-03
+
+JOB 85
+COORDS  4.0889960000e+00 -1.7478150000e+00  4.3751690000e+00  4.2992100000e+00 -1.6185690000e+00  5.3000130000e+00  4.5050190000e+00 -1.0101100000e+00  3.9291320000e+00 -4.1571500000e+00  1.6843880000e+00 -4.3498190000e+00 -3.2749900000e+00  2.0559050000e+00 -4.3487320000e+00 -4.3987590000e+00  1.6424730000e+00 -5.2750750000e+00
+ENERGY -1.526540401129e+02
+FORCES  2.5234000000e-03  3.5363000000e-03  1.9657000000e-03 -8.4410000000e-04 -5.2680000000e-04 -3.7771000000e-03 -1.6840000000e-03 -3.0085000000e-03  1.8093000000e-03  2.6261000000e-03  1.3068000000e-03 -3.7555000000e-03 -3.6030000000e-03 -1.4918000000e-03 -1.3400000000e-05  9.8150000000e-04  1.8410000000e-04  3.7711000000e-03
+
+JOB 86
+COORDS  4.1850930000e+00 -4.6673220000e+00 -2.2165720000e+00  4.1948030000e+00 -5.0563540000e+00 -3.0910960000e+00  3.3743640000e+00 -4.9870320000e+00 -1.8206740000e+00 -4.1408500000e+00  4.7519560000e+00  2.2087410000e+00 -4.3355670000e+00  4.7434540000e+00  3.1458890000e+00 -3.9270130000e+00  3.8426430000e+00  1.9998000000e+00
+ENERGY -1.526540626962e+02
+FORCES -3.2464000000e-03 -2.8954000000e-03 -1.9778000000e-03 -4.8100000000e-05  1.5848000000e-03  3.5774000000e-03  3.2954000000e-03  1.3137000000e-03 -1.5991000000e-03  1.1110000000e-04 -3.7341000000e-03  2.9749000000e-03  7.8130000000e-04  3.0300000000e-05 -3.8249000000e-03 -8.9330000000e-04  3.7008000000e-03  8.4950000000e-04
+
+JOB 87
+COORDS  2.9717200000e+00 -4.1668860000e+00 -5.4303540000e+00  3.1937550000e+00 -4.9647680000e+00 -5.9102660000e+00  3.6364140000e+00 -4.1067110000e+00 -4.7442100000e+00 -3.0337910000e+00  4.1748750000e+00  5.4651320000e+00 -3.3582460000e+00  4.0660740000e+00  4.5711950000e+00 -2.6113960000e+00  5.0338360000e+00  5.4642490000e+00
+ENERGY -1.526540966586e+02
+FORCES  3.6167000000e-03 -3.0243000000e-03  8.4840000000e-04 -9.0490000000e-04  3.2587000000e-03  1.9536000000e-03 -2.7108000000e-03 -2.3650000000e-04 -2.8032000000e-03  3.9580000000e-04  3.0511000000e-03 -3.6696000000e-03  1.3227000000e-03  4.5080000000e-04  3.6572000000e-03 -1.7196000000e-03 -3.4998000000e-03  1.3600000000e-05
+
+JOB 88
+COORDS -6.5556970000e+00  2.7717300000e+00 -3.3524020000e+00 -5.8648550000e+00  2.3198090000e+00 -2.8679060000e+00 -6.1682640000e+00  3.6129130000e+00 -3.5943500000e+00  6.4470990000e+00 -2.8216450000e+00  3.3435760000e+00  6.5646270000e+00 -1.9219010000e+00  3.0388150000e+00  7.3283880000e+00 -3.1127800000e+00  3.5776750000e+00
+ENERGY -1.526540771245e+02
+FORCES  4.4006000000e-03  1.5702000000e-03  9.9880000000e-04 -2.8188000000e-03  1.8560000000e-03 -1.9825000000e-03 -1.5810000000e-03 -3.4242000000e-03  9.8310000000e-04  4.0913000000e-03  2.4649000000e-03 -2.7530000000e-04 -4.9360000000e-04 -3.6622000000e-03  1.2353000000e-03 -3.5986000000e-03  1.1953000000e-03 -9.5930000000e-04
+
+JOB 89
+COORDS  7.9645490000e+00  3.1857820000e+00  5.2654400000e+00  7.7761770000e+00  2.4167200000e+00  4.7275820000e+00  8.9188540000e+00  3.2591800000e+00  5.2533630000e+00 -8.0207030000e+00 -3.1465650000e+00 -5.1719440000e+00 -8.5111930000e+00 -3.6803590000e+00 -5.7970170000e+00 -7.3853050000e+00 -2.6722080000e+00 -5.7081210000e+00
+ENERGY -1.526540686580e+02
+FORCES  3.1169000000e-03 -2.8420000000e-03 -2.2398000000e-03  7.7380000000e-04  3.1394000000e-03  2.1917000000e-03 -3.8909000000e-03 -2.9770000000e-04  4.7700000000e-05  5.8600000000e-04 -2.3610000000e-04 -4.7347000000e-03  2.0034000000e-03  2.1754000000e-03  2.5492000000e-03 -2.5892000000e-03 -1.9389000000e-03  2.1859000000e-03
+
+JOB 0
+COORDS -8.5157800000e-01  1.3912300000e-01  8.5984800000e-01 -1.3578710000e+00  7.4687100000e-01  1.3988660000e+00 -1.3739520000e+00 -6.6287500000e-01  8.4727500000e-01  9.7034800000e-01 -1.5755500000e-01 -8.6165700000e-01  7.0466000000e-01 -9.2416000000e-02 -1.7789350000e+00  2.3966500000e-01  2.2094300000e-01 -3.7270600000e-01
+ENERGY -1.526565982764e+02
+FORCES  8.9167000000e-03 -3.7056000000e-03 -9.3075000000e-03  1.8669000000e-03 -4.4090000000e-03 -2.7802000000e-03  8.8320000000e-04  5.5796000000e-03  8.4970000000e-04 -1.3786400000e-02  4.3466000000e-03  1.2970600000e-02 -1.7514000000e-03 -5.1600000000e-05  4.0350000000e-03  3.8710000000e-03 -1.7600000000e-03 -5.7676000000e-03
+
+JOB 1
+COORDS  1.1320170000e+00  1.8623000000e-02  6.6633500000e-01  2.2211400000e-01 -2.7427600000e-01  6.1614000000e-01  1.1812570000e+00  5.0935000000e-01  1.4866970000e+00 -1.1060470000e+00 -7.5220000000e-02 -6.6418300000e-01 -5.0610200000e-01 -3.0086000000e-02 -1.4086690000e+00 -1.4496360000e+00  8.1408000000e-01 -5.7859600000e-01
+ENERGY -1.526573498670e+02
+FORCES -1.5061100000e-02 -1.3205000000e-03 -5.4615000000e-03  8.0031000000e-03  5.8810000000e-04  4.3064000000e-03 -2.8095000000e-03 -9.3650000000e-04 -3.4379000000e-03  1.2365900000e-02  6.2588000000e-03  1.0019000000e-03 -4.2350000000e-03 -5.8480000000e-04  3.2467000000e-03  1.7366000000e-03 -4.0051000000e-03  3.4440000000e-04
+
+JOB 2
+COORDS  9.7599800000e-01  7.9810700000e-01  1.4399600000e-01  1.7380220000e+00  8.4998300000e-01 -4.3294400000e-01  4.5998800000e-01  1.5755330000e+00 -6.9485000000e-02 -1.0551600000e+00 -8.4540000000e-01 -8.9129000000e-02 -5.0898700000e-01 -6.0539000000e-02 -4.5308000000e-02 -4.7637800000e-01 -1.5211410000e+00 -4.4214100000e-01
+ENERGY -1.526530414672e+02
+FORCES -5.0133000000e-03 -5.5425000000e-03 -4.2065000000e-03 -4.1018000000e-03  5.2900000000e-05  3.2710000000e-03 -9.2340000000e-04 -9.5318000000e-03  2.7200000000e-04  1.9774200000e-02  8.0632000000e-03  1.2275000000e-03 -7.4591000000e-03  6.7068000000e-03 -6.6050000000e-04 -2.2767000000e-03  2.5150000000e-04  9.6500000000e-05
+
+JOB 3
+COORDS -1.6328600000e-01  7.7490300000e-01  1.0010820000e+00 -8.3359000000e-01  2.8885500000e-01  1.4813750000e+00  5.3081200000e-01  9.2460800000e-01  1.6429910000e+00  1.8618100000e-01 -7.2531800000e-01 -1.1231940000e+00  1.7675600000e-01 -3.3748500000e-01 -2.4813500000e-01 -1.9088100000e-01 -1.5969370000e+00 -1.0034620000e+00
+ENERGY -1.526568210242e+02
+FORCES  1.2930000000e-04 -3.4535000000e-03 -3.2412000000e-03  5.5400000000e-03  3.6380000000e-04 -4.1149000000e-03 -4.2000000000e-03 -2.1458000000e-03 -3.8840000000e-03 -1.7734000000e-03  1.0268700000e-02  1.4671500000e-02  9.4900000000e-05 -8.8604000000e-03 -5.6883000000e-03  2.0920000000e-04  3.8272000000e-03  2.2569000000e-03
+
+JOB 4
+COORDS  1.0107460000e+00  1.7185200000e-01  8.2702900000e-01  1.8390220000e+00 -2.4698600000e-01  5.9300900000e-01  9.6613000000e-01  9.4579500000e-01  2.6555500000e-01 -1.1011470000e+00 -1.4740200000e-01 -7.6593000000e-01 -3.8697200000e-01 -4.3040600000e-01 -1.9488400000e-01 -9.8517600000e-01 -6.5882600000e-01 -1.5666970000e+00
+ENERGY -1.526587773332e+02
+FORCES -1.6416000000e-03  4.2011000000e-03 -5.5382000000e-03 -5.5357000000e-03  1.4959000000e-03 -7.0300000000e-04  5.6920000000e-04 -6.4730000000e-03  2.4700000000e-03  1.0389600000e-02 -2.5810000000e-03  8.8577000000e-03 -5.7507000000e-03  1.6554000000e-03 -8.6306000000e-03  1.9691000000e-03  1.7017000000e-03  3.5441000000e-03
+
+JOB 5
+COORDS -1.0222890000e+00 -5.6843900000e-01  5.7084000000e-01 -1.2543330000e+00 -1.4335130000e+00  2.3315000000e-01 -5.3734400000e-01 -7.4745300000e-01  1.3764540000e+00  1.0188320000e+00  6.5951100000e-01 -6.6077600000e-01  2.4369200000e-01  1.5323000000e-01 -4.1773400000e-01  1.5964270000e+00  5.9398800000e-01  9.9699000000e-02
+ENERGY -1.526572416207e+02
+FORCES  5.2431000000e-03 -5.8800000000e-05  4.6870000000e-04  2.9559000000e-03  5.2872000000e-03  1.3849000000e-03 -8.2740000000e-04  1.1224000000e-03 -5.7886000000e-03 -1.3400200000e-02 -7.7974000000e-03  9.5465000000e-03  8.2194000000e-03  1.9725000000e-03 -4.4981000000e-03 -2.1908000000e-03 -5.2600000000e-04 -1.1134000000e-03
+
+JOB 6
+COORDS -5.0472000000e-01 -1.0638810000e+00 -6.7888500000e-01 -1.4560380000e+00 -1.1690860000e+00 -6.9145200000e-01 -3.6859900000e-01 -1.1819000000e-01 -6.2082700000e-01  5.4367100000e-01  9.8813600000e-01  7.3625600000e-01  1.1768360000e+00  7.4290200000e-01  6.1575000000e-02  7.9157000000e-02  1.7395430000e+00  3.6768300000e-01
+ENERGY -1.526499864709e+02
+FORCES  3.5170000000e-04  9.4208000000e-03  9.3535000000e-03  3.4347000000e-03  1.5965000000e-03  4.5840000000e-04  2.7911000000e-03  1.0540000000e-04 -7.0596000000e-03  1.8832000000e-03 -3.4670000000e-03 -2.8561000000e-03 -8.2822000000e-03  2.6180000000e-04  7.2450000000e-04 -1.7860000000e-04 -7.9175000000e-03 -6.2080000000e-04
+
+JOB 7
+COORDS -6.0761300000e-01  1.7325000000e-02 -1.2794730000e+00 -1.4267150000e+00 -4.3917300000e-01 -1.0873430000e+00 -1.0500000000e-01 -3.9281000000e-02 -4.6681800000e-01  6.3005900000e-01 -1.5785000000e-02  1.1654140000e+00  3.9900200000e-01 -4.6457700000e-01  1.9786970000e+00  7.5571200000e-01  8.9759100000e-01  1.4226830000e+00
+ENERGY -1.526602352032e+02
+FORCES  4.2048000000e-03 -2.6599000000e-03  1.3791900000e-02  2.1011000000e-03  1.0451000000e-03 -2.2180000000e-04 -2.7696000000e-03  2.6332000000e-03 -8.4318000000e-03 -3.6040000000e-03  8.5240000000e-04 -1.0377000000e-03  1.1921000000e-03  3.4189000000e-03 -3.1336000000e-03 -1.1244000000e-03 -5.2897000000e-03 -9.6700000000e-04
+
+JOB 8
+COORDS  1.4679800000e-01 -1.4296730000e+00  4.1850000000e-02  6.2193000000e-02 -4.7710600000e-01  7.2500000000e-04  1.0350610000e+00 -1.5779270000e+00  3.6626100000e-01 -1.4723600000e-01  1.3327190000e+00 -4.8574000000e-02 -2.9588400000e-01  1.7995510000e+00 -8.7089100000e-01 -7.8607400000e-01  1.7064450000e+00  5.5842400000e-01
+ENERGY -1.526619206524e+02
+FORCES  1.0657000000e-03  1.2784500000e-02  1.2520000000e-04  9.0110000000e-04 -1.0299500000e-02  7.7840000000e-04 -2.4786000000e-03  1.0467000000e-03 -8.6380000000e-04 -2.7078000000e-03 -8.0830000000e-04 -9.7690000000e-04  9.5100000000e-05 -1.4880000000e-03  4.7964000000e-03  3.1244000000e-03 -1.2355000000e-03 -3.8592000000e-03
+
+JOB 9
+COORDS  6.3605600000e-01  2.5098300000e-01 -1.2687690000e+00  2.6116500000e-01  1.0550100000e-01 -4.0013600000e-01 -7.4787000000e-02  6.4564900000e-01 -1.7739160000e+00 -5.1319300000e-01 -3.1698200000e-01  1.2382000000e+00 -1.4509570000e+00 -4.7979700000e-01  1.1366050000e+00 -4.5548400000e-01  6.0492500000e-01  1.4891760000e+00
+ENERGY -1.526588670882e+02
+FORCES -6.9467000000e-03 -3.6852000000e-03  9.9479000000e-03  3.7947000000e-03  7.0108000000e-03 -7.8920000000e-03  1.4552000000e-03 -1.2091000000e-03  2.7458000000e-03 -3.7104000000e-03  1.0792000000e-03  9.0260000000e-04  5.1589000000e-03  2.0421000000e-03 -1.5770000000e-04  2.4830000000e-04 -5.2378000000e-03 -5.5466000000e-03
+
+JOB 10
+COORDS -1.0371190000e+00 -4.5137100000e-01  9.4460300000e-01 -4.3574600000e-01 -2.2308800000e-01  1.6534540000e+00 -6.7174300000e-01 -2.0607000000e-02  1.7183200000e-01  9.1345000000e-01  4.3914500000e-01 -9.3007300000e-01  1.4218660000e+00 -1.9612800000e-01 -4.2591700000e-01  1.4947090000e+00  6.9860400000e-01 -1.6449520000e+00
+ENERGY -1.526591978814e+02
+FORCES  5.0965000000e-03  6.2052000000e-03 -4.6406000000e-03 -7.8680000000e-04 -1.9847000000e-03 -2.6093000000e-03 -2.2409000000e-03 -4.6056000000e-03  6.1717000000e-03  2.4029000000e-03 -1.6841000000e-03 -1.2713000000e-03 -3.2612000000e-03  4.2172000000e-03 -1.6321000000e-03 -1.2105000000e-03 -2.1481000000e-03  3.9816000000e-03
+
+JOB 11
+COORDS -3.9228300000e-01  2.6579000000e-01 -1.3641300000e+00  5.4995000000e-02 -9.7460000000e-03 -5.6397100000e-01  3.0777900000e-01  5.8924600000e-01 -1.9311600000e+00  3.1668000000e-01 -3.2900400000e-01  1.3229700000e+00 -2.7781800000e-01  4.0466900000e-01  1.4795850000e+00  1.1565710000e+00 -3.7217000000e-02  1.6774800000e+00
+ENERGY -1.526606253839e+02
+FORCES  5.7395000000e-03 -3.7149000000e-03  7.6528000000e-03 -3.9824000000e-03  5.7682000000e-03 -8.7082000000e-03 -1.5037000000e-03 -1.0820000000e-03  3.0406000000e-03 -5.7490000000e-04  3.8969000000e-03  3.5738000000e-03  4.6322000000e-03 -4.0835000000e-03 -2.8070000000e-03 -4.3106000000e-03 -7.8470000000e-04 -2.7520000000e-03
+
+JOB 12
+COORDS  1.1284940000e+00  8.9214800000e-01  1.3866400000e-01  5.9910500000e-01  1.3115200000e-01  3.7712700000e-01  1.5229400000e+00  1.1778290000e+00  9.6269700000e-01 -1.1323030000e+00 -8.4031400000e-01 -1.4680300000e-01 -7.8214200000e-01 -1.7116950000e+00 -3.3204600000e-01 -1.2511270000e+00 -4.4121800000e-01 -1.0086820000e+00
+ENERGY -1.526602633367e+02
+FORCES -6.7054000000e-03 -4.8383000000e-03  2.8817000000e-03  9.4139000000e-03  4.1410000000e-03 -1.2200000000e-04 -2.1819000000e-03 -2.0762000000e-03 -2.3522000000e-03 -1.2823000000e-03  6.1970000000e-04 -6.5589000000e-03  3.1260000000e-04  5.4755000000e-03  1.7692000000e-03  4.4300000000e-04 -3.3217000000e-03  4.3822000000e-03
+
+JOB 13
+COORDS -8.1462900000e-01  1.1507180000e+00 -4.5482400000e-01 -9.4953000000e-02  5.9187800000e-01 -1.6157400000e-01 -1.6012330000e+00  7.3251700000e-01 -1.0469000000e-01  8.2421600000e-01 -1.0252010000e+00  3.9948300000e-01  5.7298500000e-01 -1.4201050000e+00  1.2344470000e+00  1.0156330000e+00 -1.7701030000e+00 -1.7035200000e-01
+ENERGY -1.526604023800e+02
+FORCES  4.7100000000e-03 -1.0495800000e-02  4.3033000000e-03 -4.2200000000e-03  7.6462000000e-03 -2.1207000000e-03  1.5305000000e-03  1.5244000000e-03 -7.6190000000e-04 -1.5759000000e-03 -2.7299000000e-03 -7.2100000000e-04  5.8140000000e-04  1.3623000000e-03 -4.5901000000e-03 -1.0259000000e-03  2.6928000000e-03  3.8904000000e-03
+
+JOB 14
+COORDS  1.1707610000e+00 -4.4916800000e-01  6.4864500000e-01  9.8161300000e-01  1.7612000000e-01  1.3482650000e+00  1.9638050000e+00 -1.1117400000e-01  2.3262400000e-01 -1.1964520000e+00  4.4597900000e-01 -6.9147400000e-01 -2.0483180000e+00  6.4426000000e-02 -4.7940700000e-01 -5.6518000000e-01 -2.3911000000e-01 -4.7151800000e-01
+ENERGY -1.526606434146e+02
+FORCES  1.1253000000e-03  6.6948000000e-03  1.1315000000e-03  1.6781000000e-03 -3.6362000000e-03 -2.7815000000e-03 -3.6368000000e-03 -1.3588000000e-03  2.1536000000e-03  5.5062000000e-03 -5.7511000000e-03  3.1868000000e-03  3.7686000000e-03  8.6420000000e-04  3.9430000000e-04 -8.4414000000e-03  3.1871000000e-03 -4.0846000000e-03
+
+JOB 15
+COORDS  1.2383290000e+00 -6.1104700000e-01 -7.3560000000e-02  1.5561610000e+00 -2.1858000000e-01 -8.8669200000e-01  1.9993040000e+00 -6.0961800000e-01  5.0708300000e-01 -1.3542650000e+00  6.0111100000e-01  1.2051500000e-01 -7.4134300000e-01 -1.0159200000e-01  3.3677000000e-01 -1.0055660000e+00  9.8449600000e-01 -6.8425600000e-01
+ENERGY -1.526582370469e+02
+FORCES  2.5035000000e-03  3.4020000000e-03 -5.3620000000e-04 -1.8825000000e-03 -1.2321000000e-03  3.7949000000e-03 -3.1984000000e-03  1.5740000000e-04 -3.2511000000e-03  1.1395600000e-02 -4.2245000000e-03 -2.1863000000e-03 -7.3265000000e-03  2.0160000000e-03  1.0473000000e-03 -1.4917000000e-03 -1.1880000000e-04  1.1314000000e-03
+
+JOB 16
+COORDS  4.8133200000e-01  1.1808710000e+00 -6.6888800000e-01  1.1151450000e+00  6.8407100000e-01 -1.1862880000e+00 -3.0158500000e-01  1.2167420000e+00 -1.2184200000e+00 -4.7767400000e-01 -1.1569300000e+00  7.9139500000e-01 -3.1581800000e-01 -4.2745700000e-01  1.9314500000e-01 -5.4510200000e-01 -1.9236100000e+00  2.2228300000e-01
+ENERGY -1.526576145342e+02
+FORCES  2.4954000000e-03  1.6212000000e-03 -4.7093000000e-03 -5.1492000000e-03  1.0248000000e-03  3.2453000000e-03  3.7611000000e-03 -4.0124000000e-03  5.0677000000e-03  3.2536000000e-03  6.6723000000e-03 -5.1050000000e-03 -5.2837000000e-03 -9.2349000000e-03  7.4560000000e-04  9.2280000000e-04  3.9290000000e-03  7.5570000000e-04
+
+JOB 17
+COORDS -6.9448600000e-01 -1.0438220000e+00 -5.7636300000e-01 -3.4510200000e-01 -1.9134250000e+00 -3.8154700000e-01 -1.3535100000e+00 -1.1961700000e+00 -1.2536440000e+00  7.2694000000e-01  1.1332200000e+00  5.5060500000e-01  1.0072500000e+00  1.2949670000e+00  1.4514360000e+00  1.3897700000e-01  3.8052500000e-01  6.1370500000e-01
+ENERGY -1.526587978634e+02
+FORCES -4.7720000000e-04 -1.1024000000e-03 -3.6425000000e-03 -1.9694000000e-03  4.3430000000e-03 -1.4450000000e-04  3.2672000000e-03 -9.3250000000e-04  2.7365000000e-03 -4.7266000000e-03 -5.5270000000e-03 -1.2090000000e-03 -1.4885000000e-03 -2.1096000000e-03 -3.2628000000e-03  5.3945000000e-03  5.3285000000e-03  5.5223000000e-03
+
+JOB 18
+COORDS -9.8298800000e-01  1.0179500000e+00  4.0436200000e-01 -1.9084300000e+00  8.1656400000e-01  2.6568600000e-01 -5.1555400000e-01  2.7968400000e-01  1.3593000000e-02  1.0333200000e+00 -9.0438800000e-01 -4.1004000000e-01  1.2508090000e+00 -1.1417810000e+00  4.9138900000e-01  4.7082600000e-01 -1.6156740000e+00 -7.1648000000e-01
+ENERGY -1.526590126183e+02
+FORCES  4.9988000000e-03 -5.7302000000e-03 -4.4690000000e-03  4.0448000000e-03 -9.7380000000e-04 -1.4130000000e-04 -9.6837000000e-03  3.6803000000e-03  4.1572000000e-03  2.8614000000e-03 -4.4134000000e-03  3.0402000000e-03 -2.5004000000e-03  1.2367000000e-03 -5.2322000000e-03  2.7920000000e-04  6.2004000000e-03  2.6451000000e-03
+
+JOB 19
+COORDS -6.3500000000e-01 -1.2664960000e+00 -3.0584000000e-01 -1.5279400000e+00 -1.4580150000e+00 -1.9117000000e-02 -7.2501200000e-01 -5.0487700000e-01 -8.7861100000e-01  6.7461500000e-01  1.2903300000e+00  2.8815900000e-01  1.4381030000e+00  1.0276050000e+00  8.0225400000e-01  6.7316000000e-02  5.5469600000e-01  3.6728700000e-01
+ENERGY -1.526572289722e+02
+FORCES -3.5583000000e-03 -2.8060000000e-04 -4.4007000000e-03  4.8751000000e-03  2.1218000000e-03 -9.9910000000e-04  1.6164000000e-03 -8.7660000000e-04  9.3991000000e-03  5.9060000000e-04 -9.4579000000e-03  3.5703000000e-03 -2.4245000000e-03  1.8099000000e-03 -1.4660000000e-03 -1.0993000000e-03  6.6834000000e-03 -6.1037000000e-03
+
+JOB 20
+COORDS -1.3354930000e+00 -4.5749100000e-01  5.3036900000e-01 -1.5818940000e+00 -1.0767900000e+00 -1.5664400000e-01 -4.5714100000e-01 -1.6550000000e-01  2.8650100000e-01  1.2256850000e+00  4.4550400000e-01 -4.9039000000e-01  1.4923600000e+00  1.3646870000e+00 -4.7556600000e-01  2.0148400000e+00 -3.7322000000e-02 -2.4473700000e-01
+ENERGY -1.526619190434e+02
+FORCES  8.5399000000e-03  1.8975000000e-03 -6.1923000000e-03  7.6800000000e-04  1.4693000000e-03  2.1647000000e-03 -8.4711000000e-03 -3.6425000000e-03  4.3767000000e-03  3.1643000000e-03  2.3676000000e-03  8.9710000000e-04 -1.2250000000e-04 -4.9019000000e-03 -6.9000000000e-06 -3.8786000000e-03  2.8100000000e-03 -1.2392000000e-03
+
+JOB 21
+COORDS  1.3896280000e+00  1.4093000000e-01 -5.0358200000e-01  1.3250040000e+00 -8.0295700000e-01 -3.5821300000e-01  1.4882570000e+00  5.1255300000e-01  3.7300300000e-01 -1.4541480000e+00 -1.1789600000e-01  4.2951900000e-01 -1.0960460000e+00  4.7086800000e-01  1.0938630000e+00 -6.9540500000e-01 -6.0220800000e-01  1.0396900000e-01
+ENERGY -1.526509224637e+02
+FORCES  8.5160000000e-04 -8.1140000000e-04  4.0617000000e-03 -4.9445000000e-03  5.1467000000e-03  1.3060000000e-04 -2.4397000000e-03 -2.1030000000e-03 -3.6534000000e-03  9.0861000000e-03  3.7337000000e-03 -2.4167000000e-03 -1.0067000000e-03 -2.3460000000e-03 -1.2178000000e-03 -1.5469000000e-03 -3.6200000000e-03  3.0957000000e-03
+
+JOB 22
+COORDS -5.1851600000e-01 -3.3518100000e-01 -1.2809280000e+00 -1.4104290000e+00 -3.8070600000e-01 -9.3647000000e-01 -4.9983200000e-01 -9.8327800000e-01 -1.9850960000e+00  6.0359200000e-01  3.4781400000e-01  1.3506380000e+00  3.1424100000e-01  1.2590390000e+00  1.3039780000e+00  2.5983300000e-01 -5.4287000000e-02  5.5290600000e-01
+ENERGY -1.526600381058e+02
+FORCES -2.2066000000e-03 -3.1905000000e-03 -3.4267000000e-03  6.0844000000e-03  3.7630000000e-04 -4.9100000000e-05 -1.4334000000e-03  3.3089000000e-03  3.0771000000e-03 -2.0067000000e-03  6.2650000000e-04 -9.5813000000e-03  1.8030000000e-04 -2.9553000000e-03  6.9030000000e-04 -6.1800000000e-04  1.8341000000e-03  9.2896000000e-03
+
+JOB 23
+COORDS -6.1916000000e-02 -6.2155600000e-01 -1.3006390000e+00 -1.2143800000e-01  1.5721400000e-01 -1.8539990000e+00  8.0967600000e-01 -9.7553600000e-01 -1.4774360000e+00 -5.8270000000e-03  5.5998800000e-01  1.3898690000e+00  5.3341000000e-02  3.7183200000e-01  4.5321100000e-01  3.2195300000e-01  1.4551830000e+00  1.4759980000e+00
+ENERGY -1.526593865676e+02
+FORCES  2.5068000000e-03 -1.9761000000e-03 -5.1661000000e-03  1.2577000000e-03 -2.8017000000e-03  5.6084000000e-03 -4.4991000000e-03  3.0034000000e-03  1.1262000000e-03  3.7900000000e-05 -2.1756000000e-03 -8.0749000000e-03  1.6879000000e-03  7.2377000000e-03  8.5006000000e-03 -9.9110000000e-04 -3.2876000000e-03 -1.9942000000e-03
+
+JOB 24
+COORDS  1.1641050000e+00  6.3880800000e-01 -4.8972700000e-01  1.1726180000e+00  1.1330190000e+00 -1.3094310000e+00  1.9042890000e+00  9.8642700000e-01  7.7870000000e-03 -1.2785250000e+00 -6.8495400000e-01  5.2252800000e-01 -8.6466900000e-01 -7.0673300000e-01 -3.4030500000e-01 -5.4688700000e-01 -6.5236600000e-01  1.1388680000e+00
+ENERGY -1.526567041437e+02
+FORCES  1.4970000000e-03  3.9424000000e-03 -3.7390000000e-04 -1.7040000000e-04 -2.7887000000e-03  3.5130000000e-03 -3.5386000000e-03 -1.5778000000e-03 -1.9093000000e-03  1.0661100000e-02  4.0921000000e-03 -2.8867000000e-03 -4.9087000000e-03 -2.0676000000e-03  5.0720000000e-04 -3.5404000000e-03 -1.6005000000e-03  1.1497000000e-03
+
+JOB 25
+COORDS -8.3889500000e-01  5.5762900000e-01 -1.0416950000e+00 -5.3230600000e-01  1.0568620000e+00 -1.7986630000e+00 -1.1204780000e+00  1.2227840000e+00 -4.1359300000e-01  8.2517800000e-01 -6.3153200000e-01  1.1144180000e+00  1.7918000000e-01 -7.1388100000e-01  4.1289300000e-01  1.6328740000e+00 -3.7702200000e-01  6.6822900000e-01
+ENERGY -1.526596167304e+02
+FORCES  7.8360000000e-04  5.4569000000e-03  3.8940000000e-04 -1.1765000000e-03 -1.5762000000e-03  3.7432000000e-03  1.1812000000e-03 -3.3029000000e-03 -3.6957000000e-03 -1.8927000000e-03  2.6088000000e-03 -9.6836000000e-03  2.7516000000e-03 -2.4616000000e-03  7.0108000000e-03 -1.6472000000e-03 -7.2490000000e-04  2.2359000000e-03
+
+JOB 26
+COORDS -1.0663800000e+00 -2.7314500000e-01  9.6894400000e-01 -1.3353370000e+00  5.1992800000e-01  1.4325490000e+00 -1.7556750000e+00 -4.1761100000e-01  3.2069000000e-01  1.1322350000e+00  2.7871800000e-01 -1.0128860000e+00  1.2617100000e+00  4.5936300000e-01 -8.1846000000e-02  8.7426500000e-01 -6.4250500000e-01 -1.0450010000e+00
+ENERGY -1.526559300446e+02
+FORCES -3.4947000000e-03  4.1385000000e-03 -3.7173000000e-03  1.7642000000e-03 -3.2501000000e-03 -1.7529000000e-03  2.6287000000e-03 -3.8440000000e-04  3.1655000000e-03 -5.3582000000e-03 -4.4687000000e-03  8.5528000000e-03  2.9117000000e-03  1.5934000000e-03 -3.6577000000e-03  1.5484000000e-03  2.3713000000e-03 -2.5904000000e-03
+
+JOB 27
+COORDS -7.9933500000e-01 -8.5439400000e-01 -1.0275170000e+00 -1.1279200000e-01 -5.8722300000e-01 -1.6386730000e+00 -6.2876900000e-01 -3.4307200000e-01 -2.3651200000e-01  7.4577900000e-01  8.4071500000e-01  9.5984800000e-01  1.4115000000e+00  2.0631700000e-01  1.2255280000e+00  1.6719100000e-01  9.1354500000e-01  1.7189030000e+00
+ENERGY -1.526595103979e+02
+FORCES  6.8783000000e-03  7.6819000000e-03  3.4649000000e-03 -2.2582000000e-03 -2.2786000000e-03  7.1590000000e-04 -5.7498000000e-03 -5.5947000000e-03 -2.4926000000e-03  3.1923000000e-03 -9.3500000000e-04  5.1181000000e-03 -3.8493000000e-03  3.0691000000e-03 -1.5955000000e-03  1.7869000000e-03 -1.9428000000e-03 -5.2109000000e-03
+
+JOB 28
+COORDS  1.4585020000e+00  3.2085900000e-01 -3.9769100000e-01  1.3431020000e+00  1.1806250000e+00 -8.0231200000e-01  5.9032800000e-01 -8.0511000000e-02 -4.3521300000e-01 -1.3832750000e+00 -3.9601100000e-01  4.6977500000e-01 -1.6517450000e+00 -5.3564700000e-01 -4.3833100000e-01 -1.3968580000e+00  5.5465800000e-01  5.8057200000e-01
+ENERGY -1.526559639627e+02
+FORCES -6.7392000000e-03 -9.8200000000e-04  9.7490000000e-04 -9.6140000000e-04 -3.2349000000e-03  2.0560000000e-03  5.5455000000e-03  3.9269000000e-03 -5.0548000000e-03 -4.3942000000e-03  3.7969000000e-03  3.3780000000e-04  5.3360000000e-03  1.4746000000e-03  4.0600000000e-03  1.2134000000e-03 -4.9815000000e-03 -2.3738000000e-03
+
+JOB 29
+COORDS -1.5407800000e-01  5.7354600000e-01  1.3887720000e+00 -5.8200700000e-01  1.4021150000e+00  1.6046050000e+00  4.8114900000e-01  8.0121900000e-01  7.0988800000e-01  2.0369000000e-01 -6.5663800000e-01 -1.3864100000e+00 -3.4043200000e-01  1.0859200000e-01 -1.5723840000e+00 -2.9604000000e-01 -1.1550180000e+00 -7.3978800000e-01
+ENERGY -1.526579185859e+02
+FORCES  3.2419000000e-03  3.2528000000e-03 -2.2671000000e-03  1.6531000000e-03 -3.4494000000e-03 -2.2358000000e-03 -4.5471000000e-03  1.0873000000e-03  4.3246000000e-03 -6.9288000000e-03 -3.6610000000e-04  3.8738000000e-03  3.7166000000e-03 -1.5643000000e-03  9.4840000000e-04  2.8642000000e-03  1.0397000000e-03 -4.6439000000e-03
+
+JOB 30
+COORDS -1.1961260000e+00 -2.6786000000e-02  9.3471600000e-01 -9.3682900000e-01 -1.8685900000e-01  2.7316000000e-02 -2.1331700000e+00  1.6262200000e-01  8.8669300000e-01  1.2009050000e+00  7.5135000000e-02 -8.8522500000e-01  2.0297060000e+00 -3.0351000000e-02 -4.1811400000e-01  1.0205130000e+00 -7.9025700000e-01 -1.2523600000e+00
+ENERGY -1.526558063162e+02
+FORCES  1.3768000000e-03  1.7916000000e-03 -5.2314000000e-03 -5.5755000000e-03 -3.2034000000e-03  3.1965000000e-03  4.1050000000e-03 -6.2110000000e-04 -5.4460000000e-04  5.1550000000e-03 -2.6589000000e-03  3.2433000000e-03 -2.7607000000e-03  1.8260000000e-04 -3.3661000000e-03 -2.3006000000e-03  4.5092000000e-03  2.7024000000e-03
+
+JOB 31
+COORDS -2.5517700000e-01  9.0194400000e-01 -1.1147320000e+00 -8.3639000000e-02  1.8435120000e+00 -1.0987310000e+00 -3.9655700000e-01  6.9944600000e-01 -2.0395230000e+00  2.8741900000e-01 -9.3811900000e-01  1.2197470000e+00 -1.2720600000e-01 -1.7093380000e+00  8.3304500000e-01  9.9831000000e-02 -2.3029900000e-01  6.0327800000e-01
+ENERGY -1.526607394797e+02
+FORCES  4.5450000000e-04  1.9415000000e-03 -4.2063000000e-03 -8.5350000000e-04 -4.4913000000e-03 -5.8570000000e-04  4.4500000000e-04  1.9668000000e-03  3.7540000000e-03 -3.1890000000e-03  2.9336000000e-03 -8.3234000000e-03  1.4156000000e-03  1.7018000000e-03  1.4159000000e-03  1.7274000000e-03 -4.0525000000e-03  7.9454000000e-03
+
+JOB 32
+COORDS -1.3648090000e+00  4.1473400000e-01 -6.7235600000e-01 -5.5678300000e-01  1.1477000000e-02 -3.5500800000e-01 -1.3874550000e+00  1.2726350000e+00 -2.4841500000e-01  1.3284210000e+00 -3.8076500000e-01  6.3595200000e-01  1.4117980000e+00 -9.0637800000e-01 -1.5966800000e-01  1.0511440000e+00 -1.0040710000e+00  1.3073970000e+00
+ENERGY -1.526588581353e+02
+FORCES  7.5143000000e-03  2.5538000000e-03  5.9189000000e-03 -5.9926000000e-03 -2.1248000000e-03 -5.6429000000e-03 -1.2292000000e-03 -2.5765000000e-03 -1.7560000000e-03  3.4329000000e-03 -5.4389000000e-03  1.7155000000e-03 -4.2755000000e-03  4.0964000000e-03  3.9728000000e-03  5.5000000000e-04  3.4900000000e-03 -4.2083000000e-03
+
+JOB 33
+COORDS  3.3094900000e-01 -1.5176640000e+00 -1.5555000000e-01 -5.8679500000e-01 -1.2679590000e+00 -4.7732000000e-02  7.3203600000e-01 -1.3299000000e+00  6.9304100000e-01 -3.3673300000e-01  1.5325910000e+00  6.8498000000e-02 -1.6986900000e-01  1.5696990000e+00  1.0103100000e+00  1.5558400000e-01  7.6889800000e-01 -2.3254600000e-01
+ENERGY -1.526571095038e+02
+FORCES -3.9800000000e-03 -2.0420000000e-03  4.9030000000e-03  6.3756000000e-03  3.7690000000e-04 -9.3470000000e-04 -1.7746000000e-03  1.8321000000e-03 -4.8200000000e-03  4.8514000000e-03 -3.8786000000e-03  6.6710000000e-04 -8.7460000000e-04 -1.5823000000e-03 -3.5535000000e-03 -4.5979000000e-03  5.2939000000e-03  3.7382000000e-03
+
+JOB 34
+COORDS -1.2281130000e+00  5.0349000000e-01  8.1103200000e-01 -6.3284000000e-01  2.3454100000e-01  1.1135400000e-01 -1.8292160000e+00 -2.3460300000e-01  9.1165700000e-01  1.1737320000e+00 -4.8519400000e-01 -7.7118700000e-01  1.7919790000e+00 -1.1317900000e-01 -1.4221300000e-01  1.5325520000e+00 -2.5157800000e-01 -1.6272850000e+00
+ENERGY -1.526616077509e+02
+FORCES  3.3721000000e-03 -5.5017000000e-03 -5.1026000000e-03 -6.7320000000e-03  4.0032000000e-03  6.0425000000e-03  1.8455000000e-03  2.4254000000e-03 -3.3840000000e-04  6.0702000000e-03  1.5245000000e-03 -1.0126000000e-03 -3.3059000000e-03 -1.5033000000e-03 -3.9018000000e-03 -1.2499000000e-03 -9.4810000000e-04  4.3128000000e-03
+
+JOB 35
+COORDS  1.1523710000e+00 -2.1869200000e-01  8.9797000000e-01  1.1542200000e+00 -8.9554200000e-01  1.5748020000e+00  1.7158260000e+00  4.7169000000e-01  1.2474330000e+00 -1.1775980000e+00  2.0931700000e-01 -1.0212220000e+00 -6.4152800000e-01 -1.9764100000e-01 -3.4060000000e-01 -1.8332020000e+00  7.1445300000e-01 -5.4033500000e-01
+ENERGY -1.526594586805e+02
+FORCES  4.4537000000e-03  2.3750000000e-03  3.2435000000e-03 -9.9810000000e-04  3.4711000000e-03 -3.3688000000e-03 -2.0319000000e-03 -3.9606000000e-03 -3.4720000000e-04  4.1902000000e-03  2.5290000000e-04  6.8752000000e-03 -7.7114000000e-03 -5.9520000000e-04 -4.8560000000e-03  2.0974000000e-03 -1.5432000000e-03 -1.5466000000e-03
+
+JOB 36
+COORDS  7.6885900000e-01 -7.5544200000e-01  1.0577940000e+00  6.3871400000e-01 -1.6766580000e+00  8.3272500000e-01  1.7009230000e+00 -6.0035600000e-01  9.0470200000e-01 -8.7326500000e-01  7.8243000000e-01 -1.0435580000e+00 -4.4978100000e-01  1.5851940000e+00 -1.3476350000e+00 -1.7896000000e-01  3.0001800000e-01 -5.9472600000e-01
+ENERGY -1.526592894009e+02
+FORCES  3.5423000000e-03 -5.3272000000e-03  2.7416000000e-03  9.3280000000e-04  5.3499000000e-03  2.1150000000e-04 -5.4475000000e-03  6.8000000000e-05 -8.6590000000e-04  5.4845000000e-03 -1.0200000000e-03  5.2729000000e-03 -7.7030000000e-04 -3.0117000000e-03  1.2834000000e-03 -3.7419000000e-03  3.9409000000e-03 -8.6435000000e-03
+
+JOB 37
+COORDS  1.4837430000e+00  2.8006000000e-02  3.9939400000e-01  1.0086220000e+00 -7.9663600000e-01  5.0165800000e-01  1.7479290000e+00  2.6461300000e-01  1.2884690000e+00 -1.5295890000e+00 -1.3013000000e-02 -4.5345000000e-01 -1.2650110000e+00  7.3786200000e-01 -9.8488000000e-01 -7.1049200000e-01 -3.5195600000e-01 -9.2299000000e-02
+ENERGY -1.526534756817e+02
+FORCES  1.3066000000e-03 -1.9791000000e-03  5.8303000000e-03 -4.3257000000e-03  6.5839000000e-03 -2.8748000000e-03 -9.8140000000e-04 -1.3022000000e-03 -4.5577000000e-03  8.1514000000e-03  5.1051000000e-03 -7.7200000000e-04 -3.2106000000e-03 -2.6743000000e-03  1.1563000000e-03 -9.4030000000e-04 -5.7334000000e-03  1.2179000000e-03
+
+JOB 38
+COORDS -9.8434400000e-01 -9.6035400000e-01 -7.4838000000e-01 -1.7360640000e+00 -1.3138810000e+00 -2.7280900000e-01 -4.1053600000e-01 -6.1244600000e-01 -6.5785000000e-02  9.8113000000e-01  1.0278570000e+00  6.6177700000e-01  1.4192000000e+00  3.8545400000e-01  1.0352600000e-01  8.3517100000e-01  5.6765800000e-01  1.4883030000e+00
+ENERGY -1.526543548448e+02
+FORCES -7.0630000000e-04  3.8570000000e-03  5.0475000000e-03  3.3201000000e-03  1.6094000000e-03 -1.3355000000e-03  4.1160000000e-04 -6.4395000000e-03 -2.3331000000e-03  4.7123000000e-03 -1.1236000000e-03  1.0156000000e-03 -5.9429000000e-03  1.5298000000e-03  3.6331000000e-03 -1.7949000000e-03  5.6690000000e-04 -6.0276000000e-03
+
+JOB 39
+COORDS -7.2237200000e-01  1.0601970000e+00 -8.9759300000e-01 -4.1944200000e-01  2.1835600000e-01 -5.5734600000e-01 -9.4848600000e-01  8.8269200000e-01 -1.8106080000e+00  6.7195100000e-01 -1.0267170000e+00  8.9903200000e-01  1.5692120000e+00 -8.1454000000e-01  6.4186300000e-01  6.0666400000e-01 -7.3222900000e-01  1.8074620000e+00
+ENERGY -1.526610131726e+02
+FORCES  1.1418000000e-03 -6.3885000000e-03  1.2894000000e-03 -3.1175000000e-03  7.1461000000e-03 -6.6621000000e-03  1.3970000000e-03 -3.0000000000e-05  3.3428000000e-03  4.2615000000e-03  1.9846000000e-03  5.4189000000e-03 -4.7795000000e-03 -8.8980000000e-04  6.7690000000e-04  1.0967000000e-03 -1.8224000000e-03 -4.0658000000e-03
+
+JOB 40
+COORDS -8.2451600000e-01  1.2634490000e+00  8.1580000000e-03 -1.4471110000e+00  1.3938660000e+00  7.2341900000e-01 -1.3698710000e+00  1.1979130000e+00 -7.7575800000e-01  9.0684900000e-01 -1.3321980000e+00 -1.5348000000e-02  3.1700700000e-01 -8.2030200000e-01 -5.6877500000e-01  1.1446820000e+00 -7.3768700000e-01  6.9614500000e-01
+ENERGY -1.526577329400e+02
+FORCES -5.6562000000e-03  1.2072000000e-03  1.0045000000e-03  2.9204000000e-03 -2.3840000000e-04 -3.3549000000e-03  3.4303000000e-03 -1.3754000000e-03  3.5008000000e-03 -3.7391000000e-03  9.4440000000e-03  1.6463000000e-03  1.9106000000e-03 -5.0223000000e-03 -1.9850000000e-03  1.1340000000e-03 -4.0151000000e-03 -8.1170000000e-04
+
+JOB 41
+COORDS -3.2918000000e-02  2.4597200000e-01 -1.5463840000e+00  2.9840000000e-01  9.2969200000e-01 -2.1286090000e+00  1.1419900000e-01  5.8921600000e-01 -6.6503800000e-01  1.8182000000e-02 -2.4227500000e-01  1.5256370000e+00  5.8752000000e-01 -9.6050700000e-01  1.8017330000e+00 -7.9640600000e-01 -6.6979500000e-01  1.2612440000e+00
+ENERGY -1.526601612781e+02
+FORCES  2.5014000000e-03  3.3182000000e-03  3.9932000000e-03 -8.0410000000e-04 -2.3314000000e-03  2.7733000000e-03 -2.3440000000e-03  2.0430000000e-04 -8.5503000000e-03 -7.3420000000e-04 -6.9864000000e-03  1.0952000000e-03 -2.8420000000e-03  2.9558000000e-03 -5.0750000000e-04  4.2229000000e-03  2.8396000000e-03  1.1962000000e-03
+
+JOB 42
+COORDS -1.3761830000e+00 -4.8954400000e-01 -6.9457500000e-01 -1.1065960000e+00 -1.0179600000e+00  5.6644000000e-02 -1.9790010000e+00  1.5775200000e-01 -3.2872000000e-01  1.3816040000e+00  4.3434300000e-01  6.5701500000e-01  1.0250450000e+00  6.6147400000e-01 -2.0176800000e-01  1.9949170000e+00  1.1415370000e+00  8.5690100000e-01
+ENERGY -1.526587229991e+02
+FORCES -1.9055000000e-03 -8.5180000000e-04  6.3912000000e-03 -2.3788000000e-03  1.9370000000e-03 -4.3257000000e-03  2.5991000000e-03 -2.2406000000e-03 -1.9823000000e-03  3.7760000000e-04  3.0227000000e-03 -4.0474000000e-03  4.2400000000e-03  5.4510000000e-04  5.1709000000e-03 -2.9324000000e-03 -2.4123000000e-03 -1.2067000000e-03
+
+JOB 43
+COORDS -9.6462500000e-01 -1.2920020000e+00  4.2720100000e-01 -7.0570800000e-01 -6.9332800000e-01 -2.7335900000e-01 -1.1687630000e+00 -7.2087400000e-01  1.1677230000e+00  9.7555700000e-01  1.1692480000e+00 -4.3243500000e-01  3.9721700000e-01  1.6943370000e+00 -9.8564100000e-01  1.3062830000e+00  1.7850220000e+00  2.2153400000e-01
+ENERGY -1.526564563107e+02
+FORCES  4.2130000000e-03  7.2448000000e-03 -1.1480000000e-04 -5.1056000000e-03 -3.8985000000e-03  6.4410000000e-04 -4.6360000000e-04 -2.5562000000e-03 -1.8302000000e-03  1.8850000000e-03  5.7029000000e-03  1.3164000000e-03  1.2599000000e-03 -4.1225000000e-03  3.1449000000e-03 -1.7886000000e-03 -2.3706000000e-03 -3.1603000000e-03
+
+JOB 44
+COORDS -1.5577090000e+00  4.5625800000e-01 -3.8210600000e-01 -6.4824800000e-01  6.5601400000e-01 -1.6027000000e-01 -2.0738710000e+00  9.4111700000e-01  2.6188100000e-01  1.5142830000e+00 -5.0128000000e-01  2.7194600000e-01  2.3771270000e+00 -3.1322500000e-01  6.4122500000e-01  9.3110400000e-01 -5.3598100000e-01  1.0301880000e+00
+ENERGY -1.526563006920e+02
+FORCES  2.9583000000e-03  3.0603000000e-03  9.9140000000e-04 -7.0411000000e-03 -6.5540000000e-04  2.0871000000e-03  2.7275000000e-03 -2.3842000000e-03 -2.0195000000e-03  3.4314000000e-03 -2.1616000000e-03  4.8330000000e-03 -4.1206000000e-03 -1.0730000000e-03 -1.3922000000e-03  2.0446000000e-03  3.2139000000e-03 -4.4999000000e-03
+
+JOB 45
+COORDS  1.4190490000e+00  3.5631800000e-01 -7.5442200000e-01  1.1172440000e+00  8.1308800000e-01 -1.5396010000e+00  1.3931750000e+00 -5.7076500000e-01 -9.9123200000e-01 -1.4026730000e+00 -3.8925900000e-01  8.3174300000e-01 -8.2546500000e-01  3.1326800000e-01  1.1309400000e+00 -1.9441400000e+00  1.6886000000e-02  1.5491900000e-01
+ENERGY -1.526560955287e+02
+FORCES -1.7774000000e-03 -4.0393000000e-03 -4.1094000000e-03  5.7010000000e-04 -1.5428000000e-03  3.5325000000e-03  1.3433000000e-03  4.3831000000e-03 -8.9000000000e-06  3.0372000000e-03  5.7422000000e-03 -2.2187000000e-03 -4.8152000000e-03 -2.7058000000e-03  6.2990000000e-04  1.6419000000e-03 -1.8375000000e-03  2.1745000000e-03
+
+JOB 46
+COORDS  4.6569700000e-01  1.4080490000e+00  7.9029800000e-01  1.1815400000e+00  1.9869500000e+00  5.2824000000e-01  8.0744300000e-01  5.2504300000e-01  6.4978800000e-01 -5.4739400000e-01 -1.3253820000e+00 -7.7789200000e-01  2.8425400000e-01 -1.6570460000e+00 -4.3937600000e-01 -1.0673460000e+00 -2.1107230000e+00 -9.4854300000e-01
+ENERGY -1.526523457156e+02
+FORCES  2.6622000000e-03 -2.1812000000e-03 -3.1030000000e-03 -2.9665000000e-03 -2.4643000000e-03  1.0715000000e-03  1.1602000000e-03  2.7094000000e-03  1.7293000000e-03 -4.5080000000e-04 -5.6259000000e-03  5.3000000000e-05 -2.7172000000e-03  4.0065000000e-03 -2.0580000000e-04  2.3122000000e-03  3.5555000000e-03  4.5510000000e-04
+
+JOB 47
+COORDS -5.6623000000e-02 -3.8959600000e-01 -1.6482770000e+00  1.9252700000e-01 -8.9237300000e-01 -8.7279500000e-01  5.9716000000e-01 -6.2442700000e-01 -2.3068010000e+00 -4.7814000000e-02  4.0554800000e-01  1.6912390000e+00  4.4364600000e-01 -8.5793000000e-02  1.0329970000e+00  2.7571000000e-01  1.3029190000e+00  1.6119370000e+00
+ENERGY -1.526518204354e+02
+FORCES  2.3574000000e-03 -4.2809000000e-03 -9.6870000000e-04  1.0714000000e-03  4.3854000000e-03 -2.6830000000e-04 -3.0117000000e-03  1.4446000000e-03  3.2736000000e-03  2.9688000000e-03  4.0238000000e-03 -4.4825000000e-03 -2.2457000000e-03 -1.7984000000e-03  8.5150000000e-04 -1.1401000000e-03 -3.7745000000e-03  1.5945000000e-03
+
+JOB 48
+COORDS  8.4172500000e-01  1.1363600000e+00  9.9787300000e-01  1.1369380000e+00  1.0974960000e+00  1.9075820000e+00  1.1715370000e+00  3.2878000000e-01  6.0382800000e-01 -9.3689900000e-01 -1.0978330000e+00 -9.9588300000e-01 -2.9854700000e-01 -1.6826430000e+00 -1.4042170000e+00 -6.0006300000e-01 -2.1824600000e-01 -1.1664680000e+00
+ENERGY -1.526549833435e+02
+FORCES  1.6681000000e-03 -4.3530000000e-03  3.8890000000e-03 -7.6710000000e-04  2.3260000000e-04 -3.7469000000e-03 -7.3740000000e-04  4.4328000000e-03 -1.3890000000e-04  1.7441000000e-03  2.3664000000e-03 -2.9895000000e-03 -1.8626000000e-03  2.8447000000e-03  2.7471000000e-03 -4.5000000000e-05 -5.5235000000e-03  2.3910000000e-04
+
+JOB 49
+COORDS  1.7435400000e+00  2.8772100000e-01  3.6407800000e-01  1.3715220000e+00 -5.9406200000e-01  3.4693000000e-01  1.0666260000e+00  8.4138800000e-01 -2.5116000000e-02 -1.6561490000e+00 -3.1232300000e-01 -3.8001100000e-01 -1.6666150000e+00 -3.2365200000e-01  5.7706500000e-01 -2.1417060000e+00  4.7811000000e-01 -6.1598300000e-01
+ENERGY -1.526569062481e+02
+FORCES -5.7497000000e-03 -2.2652000000e-03 -3.8114000000e-03  2.6152000000e-03  2.9838000000e-03  1.8652000000e-03  3.8699000000e-03 -1.3840000000e-04  2.6964000000e-03 -4.7874000000e-03  2.4790000000e-03  2.7425000000e-03  1.2134000000e-03  1.3630000000e-04 -4.7157000000e-03  2.8387000000e-03 -3.1956000000e-03  1.2229000000e-03
+
+JOB 50
+COORDS  8.7969100000e-01  1.4388160000e+00  6.7681900000e-01  9.3513000000e-02  1.2502770000e+00  1.1892730000e+00  5.5703900000e-01  1.5861360000e+00 -2.1223900000e-01 -8.0394600000e-01 -1.4935280000e+00 -6.2122300000e-01 -1.3696790000e+00 -1.3934920000e+00 -1.3868410000e+00 -4.6796500000e-01 -6.1289600000e-01 -4.5438400000e-01
+ENERGY -1.526537540179e+02
+FORCES -3.1686000000e-03  2.8234000000e-03  4.3950000000e-04  3.6954000000e-03 -1.3850000000e-04 -4.0958000000e-03  4.6030000000e-04 -3.4042000000e-03  4.0138000000e-03  3.8080000000e-04  3.1315000000e-03 -2.2896000000e-03  2.6013000000e-03  1.6890000000e-04  3.3975000000e-03 -3.9693000000e-03 -2.5811000000e-03 -1.4654000000e-03
+
+JOB 51
+COORDS  7.6022100000e-01 -1.2614200000e+00 -1.0383120000e+00  2.3330700000e-01 -1.5985300000e+00 -1.7628460000e+00  7.6566200000e-01 -3.1286600000e-01 -1.1665580000e+00 -7.4375900000e-01  1.2887090000e+00  1.0957570000e+00  1.2072700000e-01  8.8008800000e-01  1.1396410000e+00 -1.3414940000e+00  5.6582000000e-01  9.0503500000e-01
+ENERGY -1.526564014905e+02
+FORCES -1.6341000000e-03  2.0832000000e-03 -5.3404000000e-03  2.0756000000e-03  1.4238000000e-03  3.2322000000e-03  1.4460000000e-04 -4.6183000000e-03  2.0743000000e-03  7.9430000000e-04 -6.1387000000e-03  1.1589000000e-03 -3.1182000000e-03  3.2421000000e-03 -1.4859000000e-03  1.7378000000e-03  4.0079000000e-03  3.6080000000e-04
+
+JOB 52
+COORDS  1.0072290000e+00  1.1529440000e+00  1.0406560000e+00  1.7892900000e-01  9.0516700000e-01  1.4514560000e+00  1.5481730000e+00  3.6527200000e-01  1.0970850000e+00 -1.0113940000e+00 -1.1035000000e+00 -1.1321070000e+00 -3.4161200000e-01 -1.5389110000e+00 -6.0481200000e-01 -1.3041530000e+00 -3.7049000000e-01 -5.9060800000e-01
+ENERGY -1.526529256273e+02
+FORCES  2.9610000000e-04 -3.2977000000e-03  2.6222000000e-03  2.7774000000e-03  2.4760000000e-04 -3.2365000000e-03 -3.0684000000e-03  2.9080000000e-03 -4.3730000000e-04  2.4728000000e-03  2.6328000000e-03  3.6051000000e-03 -2.7328000000e-03  1.3578000000e-03 -1.4457000000e-03  2.5500000000e-04 -3.8485000000e-03 -1.1078000000e-03
+
+JOB 53
+COORDS -7.9877900000e-01  1.1969460000e+00 -1.0064490000e+00 -1.6131870000e+00  1.3678510000e+00 -5.3341300000e-01 -7.6308600000e-01  1.8790380000e+00 -1.6770520000e+00  7.8036700000e-01 -1.2533970000e+00  1.0400610000e+00  1.0727550000e+00 -9.9124900000e-01  1.6712400000e-01  1.5892210000e+00 -1.4183210000e+00  1.5246100000e+00
+ENERGY -1.526557976882e+02
+FORCES -4.3616000000e-03  3.5495000000e-03  2.9860000000e-04  3.0685000000e-03  6.3600000000e-05 -2.8172000000e-03  1.2220000000e-04 -2.9188000000e-03  2.8218000000e-03  3.7190000000e-03  1.7263000000e-03 -2.9083000000e-03  6.0040000000e-04 -3.1465000000e-03  4.4675000000e-03 -3.1484000000e-03  7.2580000000e-04 -1.8623000000e-03
+
+JOB 54
+COORDS -4.9707000000e-02  2.0870000000e-02 -1.7509270000e+00 -8.9553300000e-01 -2.1945700000e-01 -2.1291500000e+00  5.7995700000e-01 -1.2983200000e-01 -2.4559410000e+00  7.4068000000e-02 -2.9711000000e-02  1.8836130000e+00 -4.8657700000e-01 -3.1539600000e-01  1.1622990000e+00  4.6547200000e-01  7.8721300000e-01  1.5743080000e+00
+ENERGY -1.526570276725e+02
+FORCES  2.8470000000e-04 -1.8021000000e-03 -5.9511000000e-03  3.5440000000e-03  8.7460000000e-04  2.3151000000e-03 -3.0505000000e-03  8.3900000000e-04  2.5882000000e-03 -2.5700000000e-05  2.1381000000e-03 -6.8929000000e-03  3.9830000000e-04  4.2420000000e-04  5.1045000000e-03 -1.1509000000e-03 -2.4738000000e-03  2.8361000000e-03
+
+JOB 55
+COORDS  1.3328980000e+00  2.7100700000e-01  1.2610140000e+00  2.0987150000e+00  8.4462700000e-01  1.2877980000e+00  1.0362550000e+00  3.0903400000e-01  3.5173500000e-01 -1.3189900000e+00 -2.4957100000e-01 -1.2025930000e+00 -1.3728420000e+00 -1.0288420000e+00 -6.4935900000e-01 -1.9461310000e+00 -4.1175200000e-01 -1.9073070000e+00
+ENERGY -1.526573059821e+02
+FORCES  1.1104000000e-03  3.2221000000e-03 -4.4029000000e-03 -2.8122000000e-03 -2.1823000000e-03 -6.5100000000e-05  3.0649000000e-03 -1.0468000000e-03  5.5162000000e-03 -4.5147000000e-03 -3.9349000000e-03 -1.1086000000e-03  8.2760000000e-04  3.5632000000e-03 -3.0338000000e-03  2.3240000000e-03  3.7870000000e-04  3.0942000000e-03
+
+JOB 56
+COORDS -2.5154300000e-01  1.7403830000e+00  4.9589400000e-01  2.1762100000e-01  2.1330430000e+00  1.2320560000e+00 -1.1695200000e+00  1.7437770000e+00  7.6707500000e-01  2.2415100000e-01 -1.7774620000e+00 -6.0498700000e-01  4.7541700000e-01 -2.3182220000e+00  1.4379600000e-01  6.7948500000e-01 -9.4722100000e-01 -4.6497900000e-01
+ENERGY -1.526566360179e+02
+FORCES -3.5646000000e-03  2.6195000000e-03  4.0656000000e-03 -1.7350000000e-03 -2.2109000000e-03 -3.1097000000e-03  4.1701000000e-03  6.4420000000e-04 -6.7200000000e-04  2.5670000000e-03  3.1863000000e-03  3.6468000000e-03 -1.0141000000e-03  1.8853000000e-03 -2.7336000000e-03 -4.2340000000e-04 -6.1244000000e-03 -1.1971000000e-03
+
+JOB 57
+COORDS  1.2244820000e+00 -2.6368600000e-01 -1.3227710000e+00  1.6943610000e+00 -7.7567600000e-01 -6.6450700000e-01  1.6357870000e+00 -5.0471700000e-01 -2.1528100000e+00 -1.3282820000e+00  3.2299000000e-01  1.2952090000e+00 -1.2062320000e+00 -5.1561300000e-01  1.7402720000e+00 -5.1555300000e-01  8.0168500000e-01  1.4581660000e+00
+ENERGY -1.526530699971e+02
+FORCES  3.1502000000e-03 -3.4338000000e-03 -1.4906000000e-03 -1.9679000000e-03  2.5140000000e-03 -2.0166000000e-03 -1.7945000000e-03  9.7910000000e-04  3.5697000000e-03  4.3593000000e-03 -1.1543000000e-03  7.1500000000e-04 -2.9690000000e-04  3.2255000000e-03 -1.5273000000e-03 -3.4502000000e-03 -2.1305000000e-03  7.4980000000e-04
+
+JOB 58
+COORDS  1.6606460000e+00  7.1691000000e-02 -9.7536200000e-01  1.1556750000e+00  2.5123100000e-01 -1.8226700000e-01  1.8342780000e+00  9.3527000000e-01 -1.3499500000e+00 -1.6467600000e+00 -1.6756200000e-01  9.0281500000e-01 -1.7465780000e+00  7.8241400000e-01  8.4105900000e-01 -1.4596610000e+00 -3.2960600000e-01  1.8274590000e+00
+ENERGY -1.526548024516e+02
+FORCES -2.8407000000e-03  3.1742000000e-03  1.9142000000e-03  4.4828000000e-03  7.8580000000e-04 -3.1830000000e-03 -8.4990000000e-04 -3.2505000000e-03  1.6249000000e-03 -2.5614000000e-03  2.3391000000e-03  3.9589000000e-03  1.8217000000e-03 -4.1253000000e-03  1.2850000000e-04 -5.2700000000e-05  1.0767000000e-03 -4.4434000000e-03
+
+JOB 59
+COORDS  1.2502530000e+00 -2.5045800000e-01  1.3760190000e+00  2.0539150000e+00 -4.6511000000e-02  8.9772500000e-01  1.2053900000e+00  4.1350500000e-01  2.0640390000e+00 -1.2935690000e+00  2.4563400000e-01 -1.3470690000e+00 -9.3253800000e-01 -6.3653800000e-01 -1.2595420000e+00 -1.6724180000e+00  2.6379000000e-01 -2.2259180000e+00
+ENERGY -1.526547931265e+02
+FORCES  2.4122000000e-03  4.9186000000e-03  8.8480000000e-04 -3.0544000000e-03 -1.3535000000e-03  1.9271000000e-03  7.8410000000e-04 -2.9472000000e-03 -2.3628000000e-03  3.9400000000e-04 -4.2489000000e-03 -1.9466000000e-03 -2.2670000000e-03  3.5374000000e-03 -2.1119000000e-03  1.7311000000e-03  9.3600000000e-05  3.6094000000e-03
+
+JOB 60
+COORDS  3.0420500000e-01  1.6048510000e+00  9.9420500000e-01 -4.6376300000e-01  2.0607310000e+00  6.4977700000e-01  1.4197700000e-01  1.5386360000e+00  1.9352310000e+00 -2.9633500000e-01 -1.5902430000e+00 -1.0404040000e+00  4.7096700000e-01 -1.4329410000e+00 -4.9019000000e-01 -1.7772400000e-01 -2.4816050000e+00 -1.3684830000e+00
+ENERGY -1.526556511100e+02
+FORCES -4.8701000000e-03  2.0857000000e-03  1.8664000000e-03  3.4230000000e-03 -1.1751000000e-03  2.0343000000e-03  9.2910000000e-04  6.2900000000e-05 -3.8081000000e-03  4.2134000000e-03 -1.8049000000e-03  1.3945000000e-03 -3.1869000000e-03 -2.7449000000e-03 -2.8989000000e-03 -5.0840000000e-04  3.5763000000e-03  1.4118000000e-03
+
+JOB 61
+COORDS -9.1745400000e-01  7.4602400000e-01  1.5935830000e+00 -8.8297300000e-01  1.0996730000e+00  2.4823880000e+00 -2.7523100000e-01  1.2611190000e+00  1.1052610000e+00  8.7513400000e-01 -7.7839100000e-01 -1.5502020000e+00  2.4220600000e-01 -7.2827100000e-01 -2.2665270000e+00  1.7045810000e+00 -9.9235700000e-01 -1.9773670000e+00
+ENERGY -1.526544575445e+02
+FORCES  3.7152000000e-03  2.8252000000e-03  6.7280000000e-04 -1.4550000000e-04 -1.4691000000e-03 -3.5079000000e-03 -3.4344000000e-03 -7.9440000000e-04  3.0343000000e-03  2.7120000000e-04 -1.6639000000e-03 -4.8642000000e-03  3.0089000000e-03  5.3700000000e-05  2.7784000000e-03 -3.4155000000e-03  1.0486000000e-03  1.8866000000e-03
+
+JOB 62
+COORDS  7.6397400000e-01  5.2831700000e-01 -1.7886840000e+00  3.0065000000e-02 -8.2140000000e-02 -1.8590530000e+00  1.5315830000e+00  9.4980000000e-03 -2.0291730000e+00 -8.2780900000e-01 -4.5749300000e-01  1.7960310000e+00 -3.4182000000e-01 -1.2115460000e+00  1.4621880000e+00 -1.8149800000e-01  4.3377000000e-02  2.2936680000e+00
+ENERGY -1.526541439936e+02
+FORCES -8.8420000000e-04 -4.0721000000e-03 -1.5172000000e-03  3.7606000000e-03  2.0049000000e-03 -1.7050000000e-04 -3.1192000000e-03  1.9519000000e-03  1.5387000000e-03  5.4221000000e-03  1.2870000000e-04  4.1320000000e-04 -2.3490000000e-03  2.4843000000e-03  1.0328000000e-03 -2.8303000000e-03 -2.4977000000e-03 -1.2969000000e-03
+
+JOB 63
+COORDS -1.7053510000e+00  1.0061440000e+00  4.9845700000e-01 -1.4541710000e+00  1.9116300000e+00  3.1615400000e-01 -1.6580850000e+00  5.6823900000e-01 -3.5138900000e-01  1.6893560000e+00 -1.0771160000e+00 -4.9280400000e-01  2.3482450000e+00 -4.2123500000e-01 -2.6494900000e-01  1.0093540000e+00 -9.7559800000e-01  1.7317200000e-01
+ENERGY -1.526561409089e+02
+FORCES -1.5220000000e-04  2.7918000000e-03 -4.9203000000e-03 -8.5050000000e-04 -3.8436000000e-03  9.5710000000e-04  1.8360000000e-04  1.6301000000e-03  4.4179000000e-03  9.6900000000e-05  2.9212000000e-03  4.7106000000e-03 -2.5273000000e-03 -2.5486000000e-03 -1.2269000000e-03  3.2494000000e-03 -9.5090000000e-04 -3.9383000000e-03
+
+JOB 64
+COORDS -7.4868800000e-01  1.5415700000e+00 -1.0816190000e+00 -7.9617600000e-01  2.2637490000e+00 -4.5517400000e-01 -5.7012000000e-02  1.7980550000e+00 -1.6915640000e+00  7.4359300000e-01 -1.6553210000e+00  1.0892150000e+00  5.2053900000e-01 -1.0002430000e+00  1.7505410000e+00  3.8357100000e-01 -1.3057050000e+00  2.7411700000e-01
+ENERGY -1.526563803169e+02
+FORCES  2.0463000000e-03  5.5156000000e-03 -8.9740000000e-04  3.8470000000e-04 -3.3527000000e-03 -2.4246000000e-03 -2.9269000000e-03 -1.3442000000e-03  2.8497000000e-03 -3.3223000000e-03  4.7994000000e-03 -1.4101000000e-03  1.2660000000e-03 -2.6813000000e-03 -1.8504000000e-03  2.5522000000e-03 -2.9368000000e-03  3.7327000000e-03
+
+JOB 65
+COORDS -1.5392760000e+00  1.4740010000e+00 -3.9722500000e-01 -9.0772000000e-01  9.5523200000e-01 -8.9547000000e-01 -1.0994290000e+00  1.6543460000e+00  4.3358400000e-01  1.4938020000e+00 -1.5098090000e+00  4.1350000000e-01  2.1476430000e+00 -9.1659300000e-01  4.3609000000e-02  6.5315700000e-01 -1.1270140000e+00  1.6247200000e-01
+ENERGY -1.526528967074e+02
+FORCES  3.6230000000e-03  2.6600000000e-05  1.2288000000e-03 -2.0649000000e-03  1.0517000000e-03  3.0669000000e-03 -1.6569000000e-03 -1.4083000000e-03 -4.0729000000e-03 -3.5990000000e-04  2.9012000000e-03 -2.3405000000e-03 -3.4024000000e-03 -2.1888000000e-03  1.5612000000e-03  3.8611000000e-03 -3.8230000000e-04  5.5650000000e-04
+
+JOB 66
+COORDS  1.1540090000e+00  1.5212410000e+00  1.0577320000e+00  2.3397000000e-01  1.3238010000e+00  1.2331660000e+00  1.5127120000e+00  7.0458800000e-01  7.1039500000e-01 -1.1789510000e+00 -1.4565510000e+00 -1.0291310000e+00 -4.8311000000e-01 -1.9486630000e+00 -5.9339800000e-01 -7.9154900000e-01 -1.1761520000e+00 -1.8583040000e+00
+ENERGY -1.526546955760e+02
+FORCES -3.2214000000e-03 -4.1286000000e-03 -7.8740000000e-04  4.4501000000e-03  1.2076000000e-03 -1.5790000000e-04 -9.0810000000e-04  2.9648000000e-03  1.2269000000e-03  3.6353000000e-03 -1.8085000000e-03 -2.8777000000e-03 -2.5295000000e-03  2.9995000000e-03 -1.3047000000e-03 -1.4264000000e-03 -1.2348000000e-03  3.9007000000e-03
+
+JOB 67
+COORDS -6.5393900000e-01  4.6987800000e-01 -1.9641190000e+00 -9.7350100000e-01  1.0937830000e+00 -2.6159280000e+00  2.8088900000e-01  6.6074200000e-01 -1.8873160000e+00  6.4245100000e-01 -4.7191300000e-01  1.9667730000e+00  1.0472490000e+00 -1.2807440000e+00  2.2800840000e+00 -2.6986700000e-01 -5.3498000000e-01  2.2494910000e+00
+ENERGY -1.526546773517e+02
+FORCES  3.2320000000e-03  3.2673000000e-03 -1.5706000000e-03  1.1633000000e-03 -2.5333000000e-03  2.6683000000e-03 -4.0085000000e-03 -5.7310000000e-04 -1.4790000000e-03 -2.9499000000e-03 -3.6665000000e-03  2.0196000000e-03 -1.4578000000e-03  3.3280000000e-03 -1.2608000000e-03  4.0209000000e-03  1.7760000000e-04 -3.7740000000e-04
+
+JOB 68
+COORDS  1.7817280000e+00  1.0990210000e+00 -3.7333000000e-01  1.8611720000e+00  2.0524540000e+00 -3.4356200000e-01  2.4498090000e+00  7.8342000000e-01  2.3518900000e-01 -1.7963990000e+00 -1.1072990000e+00  2.8902000000e-01 -2.6220320000e+00 -1.5890510000e+00  2.3924600000e-01 -1.5446190000e+00 -1.1572430000e+00  1.2111610000e+00
+ENERGY -1.526528741204e+02
+FORCES  2.7256000000e-03  2.5897000000e-03  2.3096000000e-03 -2.2810000000e-04 -3.9339000000e-03 -1.0330000000e-04 -2.8417000000e-03  1.2209000000e-03 -2.3156000000e-03 -1.7662000000e-03 -1.8703000000e-03  3.5729000000e-03  3.4264000000e-03  2.0692000000e-03  6.8800000000e-05 -1.3160000000e-03 -7.5700000000e-05 -3.5324000000e-03
+
+JOB 69
+COORDS  2.2970660000e+00 -5.9975000000e-02 -3.7273000000e-01  1.7816310000e+00  2.6214600000e-01 -1.1121870000e+00  1.6526000000e+00 -2.2376300000e-01  3.1579700000e-01 -2.2746460000e+00  2.6122000000e-02  3.2402100000e-01 -2.4562260000e+00  3.6825000000e-01  1.1993550000e+00 -1.3216820000e+00  6.6333000000e-02  2.4355600000e-01
+ENERGY -1.526527108676e+02
+FORCES -3.6983000000e-03  3.3650000000e-04 -6.9560000000e-04  1.7228000000e-03 -1.4150000000e-03  3.8803000000e-03  1.5540000000e-03  1.2143000000e-03 -3.1133000000e-03  2.2962000000e-03  1.7298000000e-03  3.6035000000e-03  1.0004000000e-03 -1.5631000000e-03 -3.8488000000e-03 -2.8751000000e-03 -3.0240000000e-04  1.7390000000e-04
+
+JOB 70
+COORDS -5.1826400000e-01  1.5162940000e+00 -1.5928100000e+00 -1.4711100000e+00  1.5932410000e+00 -1.6417390000e+00 -2.6573000000e-01  2.1085040000e+00 -8.8447000000e-01  6.0549600000e-01 -1.5176530000e+00  1.5456800000e+00  3.3692000000e-02 -1.8968510000e+00  8.7823600000e-01  2.5321400000e-01 -1.8405020000e+00  2.3750760000e+00
+ENERGY -1.526544214125e+02
+FORCES -2.2431000000e-03  2.9624000000e-03  3.2146000000e-03  3.7682000000e-03 -6.0030000000e-04  1.7920000000e-04 -1.4188000000e-03 -1.9903000000e-03 -3.3387000000e-03 -3.6488000000e-03 -2.9547000000e-03 -1.4330000000e-04  2.1869000000e-03  1.0766000000e-03  3.4211000000e-03  1.3557000000e-03  1.5063000000e-03 -3.3329000000e-03
+
+JOB 71
+COORDS  1.6118000000e-02  2.1301930000e+00 -8.4668500000e-01  3.4041300000e-01  3.0198160000e+00 -7.0655900000e-01  4.8042600000e-01  1.6006170000e+00 -1.9845700000e-01 -6.6443000000e-02 -2.1008450000e+00  8.5376600000e-01 -6.2618000000e-01 -2.3130240000e+00  1.0683400000e-01  6.5925100000e-01 -2.7221550000e+00  7.9398500000e-01
+ENERGY -1.526554028311e+02
+FORCES  3.0486000000e-03  9.2490000000e-04  3.7602000000e-03 -1.2328000000e-03 -3.5023000000e-03 -6.0690000000e-04 -1.5715000000e-03  3.1866000000e-03 -3.2534000000e-03  6.4600000000e-05 -3.9839000000e-03 -3.4550000000e-03  2.5643000000e-03  6.4810000000e-04  3.2789000000e-03 -2.8732000000e-03  2.7266000000e-03  2.7620000000e-04
+
+JOB 72
+COORDS -1.2817300000e+00 -3.7938900000e-01 -1.8640400000e+00 -1.5011440000e+00  1.0508000000e-02 -2.7102490000e+00 -1.7024200000e+00  1.9100000000e-01 -1.2206830000e+00  1.3005540000e+00  2.6368700000e-01  1.8513880000e+00  8.1284400000e-01  1.0843090000e+00  1.7810270000e+00  2.0864060000e+00  4.9332500000e-01  2.3473070000e+00
+ENERGY -1.526531117645e+02
+FORCES -2.4031000000e-03  3.6428000000e-03 -4.8750000000e-04  9.6220000000e-04 -1.5901000000e-03  3.4851000000e-03  1.5834000000e-03 -1.9388000000e-03 -2.7263000000e-03  1.5446000000e-03  4.1258000000e-03  1.4083000000e-03  1.5704000000e-03 -3.2892000000e-03  3.2420000000e-04 -3.2576000000e-03 -9.5050000000e-04 -2.0037000000e-03
+
+JOB 73
+COORDS  1.2180250000e+00 -1.9652440000e+00  5.4385800000e-01  1.6914840000e+00 -1.8045730000e+00  1.3601010000e+00  6.3553000000e-01 -1.2112720000e+00  4.5188800000e-01 -1.2734810000e+00  1.9084630000e+00 -5.8874100000e-01 -5.7539500000e-01  1.4428660000e+00 -1.2816800000e-01 -8.6561200000e-01  2.7232310000e+00 -8.8204800000e-01
+ENERGY -1.526528525787e+02
+FORCES -6.9060000000e-04  2.8823000000e-03  3.1217000000e-03 -2.0330000000e-03 -3.8840000000e-04 -3.6158000000e-03  2.7518000000e-03 -1.8831000000e-03  4.1620000000e-04  4.5004000000e-03  2.3192000000e-03  1.3020000000e-04 -2.6949000000e-03  5.4900000000e-04 -1.4288000000e-03 -1.8337000000e-03 -3.4789000000e-03  1.3764000000e-03
+
+JOB 74
+COORDS  1.5344060000e+00 -1.9994280000e+00  3.7487700000e-01  1.7818730000e+00 -2.1762550000e+00 -5.3271500000e-01  5.7783400000e-01 -2.0340860000e+00  3.7391200000e-01 -1.4638670000e+00  2.0600680000e+00 -2.8749700000e-01 -2.3212760000e+00  1.9989300000e+00 -7.0861900000e-01 -1.0389920000e+00  1.2255960000e+00 -4.8591300000e-01
+ENERGY -1.526535330916e+02
+FORCES -2.3528000000e-03 -1.5764000000e-03 -3.3121000000e-03 -1.3316000000e-03  9.8630000000e-04  3.7696000000e-03  3.7882000000e-03  7.9070000000e-04 -4.3240000000e-04 -1.4852000000e-03 -3.3215000000e-03 -2.4196000000e-03  3.6005000000e-03  7.9200000000e-05  1.7477000000e-03 -2.2191000000e-03  3.0416000000e-03  6.4680000000e-04
+
+JOB 75
+COORDS  2.7115600000e-01  1.4664310000e+00 -2.0348860000e+00  3.1992200000e-01  2.3891020000e+00 -2.2849510000e+00 -6.5210600000e-01  1.2373800000e+00 -2.1414460000e+00 -1.9258200000e-01 -1.5193600000e+00  2.1222100000e+00 -4.2668700000e-01 -7.0370500000e-01  1.6793390000e+00 -3.9370200000e-01 -2.2047140000e+00  1.4849720000e+00
+ENERGY -1.526544189010e+02
+FORCES -3.1704000000e-03  3.3631000000e-03 -2.1320000000e-03 -3.2550000000e-04 -3.8911000000e-03  1.0389000000e-03  3.7860000000e-03  6.1940000000e-04  1.0113000000e-03 -1.0842000000e-03  8.3890000000e-04 -4.8170000000e-03  2.8690000000e-04 -3.5521000000e-03  2.2015000000e-03  5.0730000000e-04  2.6218000000e-03  2.6973000000e-03
+
+JOB 76
+COORDS  1.9638200000e-01 -2.2119390000e+00 -1.3715870000e+00  4.9363000000e-01 -2.9875090000e+00 -1.8473660000e+00 -7.0320700000e-01 -2.0775970000e+00 -1.6697860000e+00 -1.4289500000e-01  2.2285640000e+00  1.4693670000e+00 -7.4319700000e-01  2.9456010000e+00  1.2650940000e+00  1.0300000000e-01  1.8710010000e+00  6.1618600000e-01
+ENERGY -1.526543659822e+02
+FORCES -2.4161000000e-03 -3.1885000000e-03 -2.9555000000e-03 -1.2907000000e-03  3.2155000000e-03  1.8793000000e-03  3.7761000000e-03 -2.1560000000e-04  1.1100000000e-03 -1.0607000000e-03  9.6960000000e-04 -4.4174000000e-03  2.3241000000e-03 -2.8954000000e-03  8.2210000000e-04 -1.3327000000e-03  2.1145000000e-03  3.5616000000e-03
+
+JOB 77
+COORDS  1.6787340000e+00 -2.0245240000e+00  1.0104450000e+00  1.2054290000e+00 -1.6651790000e+00  1.7608350000e+00  1.4122910000e+00 -1.4752270000e+00  2.7321200000e-01 -1.5797330000e+00  1.9998320000e+00 -1.0095610000e+00 -2.1410520000e+00  1.8637630000e+00 -1.7728680000e+00 -2.0827350000e+00  1.6466310000e+00 -2.7575500000e-01
+ENERGY -1.526545676470e+02
+FORCES -2.7926000000e-03  4.1077000000e-03 -1.5830000000e-04  1.7428000000e-03 -1.6145000000e-03 -2.9096000000e-03  1.0587000000e-03 -2.6965000000e-03  3.1774000000e-03 -4.8401000000e-03 -1.4074000000e-03 -4.4830000000e-04  2.3800000000e-03  4.6980000000e-04  3.2458000000e-03  2.4512000000e-03  1.1409000000e-03 -2.9070000000e-03
+
+JOB 78
+COORDS  1.7534880000e+00 -2.3473670000e+00 -3.3575600000e-01  2.2924720000e+00 -2.3794520000e+00  4.5462300000e-01  1.3524110000e+00 -1.4784360000e+00 -3.1761500000e-01 -1.7279780000e+00  2.3217900000e+00  3.4407300000e-01 -1.9098270000e+00  2.8281110000e+00 -4.4763500000e-01 -2.1260980000e+00  1.4670940000e+00  1.7906700000e-01
+ENERGY -1.526545399591e+02
+FORCES  7.9950000000e-04  3.6036000000e-03  3.4481000000e-03 -2.1865000000e-03  8.1000000000e-06 -3.2432000000e-03  1.3917000000e-03 -3.8045000000e-03 -2.6450000000e-04 -2.9260000000e-03 -1.0215000000e-03 -3.8928000000e-03  8.4210000000e-04 -2.1677000000e-03  3.2713000000e-03  2.0792000000e-03  3.3820000000e-03  6.8110000000e-04
+
+JOB 79
+COORDS  3.9873100000e-01  2.4453460000e+00  1.4809330000e+00  6.5304300000e-01  2.8214650000e+00  6.3826400000e-01 -1.5226800000e-01  3.1150000000e+00  1.8861440000e+00 -3.7309600000e-01 -2.4406520000e+00 -1.4751350000e+00  2.3874200000e-01 -2.9786440000e+00 -9.7269000000e-01 -1.1248390000e+00 -3.0127460000e+00 -1.6294850000e+00
+ENERGY -1.526539590871e+02
+FORCES -1.3617000000e-03  3.9730000000e-03 -2.2012000000e-03 -9.0720000000e-04 -1.2433000000e-03  3.6342000000e-03  2.2520000000e-03 -2.6890000000e-03 -1.5421000000e-03 -5.2850000000e-04 -4.3488000000e-03  1.8660000000e-03 -2.4862000000e-03  2.0016000000e-03 -2.2736000000e-03  3.0315000000e-03  2.3064000000e-03  5.1670000000e-04
+
+JOB 80
+COORDS  1.7345430000e+00  1.6258700000e+00 -1.8102120000e+00  1.5679620000e+00  1.6537110000e+00 -8.6803000000e-01  2.6800830000e+00  1.7512990000e+00 -1.8905560000e+00 -1.7487080000e+00 -1.6804820000e+00  1.7966560000e+00 -1.3583630000e+00 -1.2048390000e+00  1.0634260000e+00 -2.6329970000e+00 -1.3218540000e+00  1.8718250000e+00
+ENERGY -1.526542607738e+02
+FORCES  3.6413000000e-03  8.0630000000e-04  3.3634000000e-03  2.6420000000e-04 -3.5630000000e-04 -3.8502000000e-03 -3.9277000000e-03 -4.7810000000e-04  3.4100000000e-04 -2.2414000000e-03  3.1591000000e-03 -2.9627000000e-03 -1.3972000000e-03 -1.7174000000e-03  3.3242000000e-03  3.6608000000e-03 -1.4136000000e-03 -2.1580000000e-04
+
+JOB 81
+COORDS -1.7273950000e+00 -6.1311700000e-01  2.6232610000e+00 -1.1948560000e+00 -5.4657600000e-01  3.4158550000e+00 -1.5987770000e+00  2.2373800000e-01  2.1767600000e+00  1.6953190000e+00  5.7924900000e-01 -2.7121790000e+00  2.3037600000e+00  4.1912000000e-02 -2.2049330000e+00  1.0478450000e+00  8.7689200000e-01 -2.0731030000e+00
+ENERGY -1.526538809080e+02
+FORCES  2.3503000000e-03  3.6703000000e-03  1.7879000000e-03 -2.0952000000e-03 -2.5820000000e-04 -3.4036000000e-03 -2.4250000000e-04 -3.4866000000e-03  1.5488000000e-03 -2.2730000000e-04 -1.2788000000e-03  4.5702000000e-03 -2.4387000000e-03  2.3488000000e-03 -2.0368000000e-03  2.6534000000e-03 -9.9550000000e-04 -2.4665000000e-03
+
+JOB 82
+COORDS -4.1995900000e-01 -2.7516840000e+00 -2.3171740000e+00 -3.6879200000e-01 -1.8247610000e+00 -2.0838770000e+00 -8.9858000000e-01 -3.1553230000e+00 -1.5931380000e+00  4.5092600000e-01  2.6639510000e+00  2.2374820000e+00 -2.9617200000e-01  3.2513280000e+00  2.1231850000e+00  1.0397490000e+00  3.1363240000e+00  2.8260250000e+00
+ENERGY -1.526544296102e+02
+FORCES -1.5727000000e-03  2.2915000000e-03  4.1162000000e-03 -3.3300000000e-04 -3.8599000000e-03 -1.1584000000e-03  1.8505000000e-03  1.5201000000e-03 -3.0195000000e-03 -4.9490000000e-04  4.4586000000e-03  2.0709000000e-03  3.0049000000e-03 -2.4915000000e-03  3.9760000000e-04 -2.4547000000e-03 -1.9188000000e-03 -2.4069000000e-03
+
+JOB 83
+COORDS -4.1100300000e-01  1.9362800000e+00 -3.0143680000e+00 -1.1479800000e+00  1.8067010000e+00 -2.4174540000e+00 -7.8120500000e-01  2.4233380000e+00 -3.7505450000e+00  4.3824100000e-01 -1.9857100000e+00  2.9738140000e+00  1.2564170000e+00 -2.2729060000e+00  3.3791990000e+00  2.3213000000e-01 -1.1585310000e+00  3.4091590000e+00
+ENERGY -1.526540398538e+02
+FORCES -4.5445000000e-03  1.2327000000e-03 -5.1470000000e-04  2.9872000000e-03  7.1190000000e-04 -2.4672000000e-03  1.5297000000e-03 -1.9423000000e-03  2.9955000000e-03  2.6811000000e-03  2.2269000000e-03  3.3142000000e-03 -3.3816000000e-03  1.1433000000e-03 -1.5769000000e-03  7.2810000000e-04 -3.3725000000e-03 -1.7508000000e-03
+
+JOB 84
+COORDS -3.5013400000e+00  6.7112000000e-01 -2.3856570000e+00 -4.3445460000e+00  1.1129850000e+00 -2.4856040000e+00 -2.9096780000e+00  1.1488030000e+00 -2.9670240000e+00  3.4812890000e+00 -6.7239600000e-01  2.3923110000e+00  3.4103860000e+00 -9.7184900000e-01  3.2986960000e+00  4.1654370000e+00 -1.2224180000e+00  2.0106710000e+00
+ENERGY -1.526539747278e+02
+FORCES -8.8090000000e-04  3.7946000000e-03 -2.6878000000e-03  3.4006000000e-03 -1.8225000000e-03  3.9460000000e-04 -2.4934000000e-03 -1.9585000000e-03  2.2935000000e-03  2.3654000000e-03 -3.5292000000e-03  2.1185000000e-03  3.4940000000e-04  1.2429000000e-03 -3.6755000000e-03 -2.7410000000e-03  2.2728000000e-03  1.5566000000e-03
+
+JOB 85
+COORDS  3.2628360000e+00 -9.2511000000e-02 -3.1093740000e+00  2.8155060000e+00  3.4939000000e-01 -2.3876740000e+00  4.1440750000e+00 -2.6320300000e-01 -2.7769390000e+00 -3.3469610000e+00  9.2320000000e-02  3.0553450000e+00 -2.6130100000e+00  7.0580400000e-01  3.0897760000e+00 -2.9366040000e+00 -7.6831900000e-01  2.9708540000e+00
+ENERGY -1.526539433823e+02
+FORCES  1.8199000000e-03  1.1485000000e-03  4.1971000000e-03  1.7995000000e-03 -1.8435000000e-03 -2.8682000000e-03 -3.6376000000e-03  6.8880000000e-04 -1.3146000000e-03  4.5821000000e-03 -1.0492000000e-03 -1.9280000000e-04 -2.9394000000e-03 -2.5019000000e-03 -1.7010000000e-04 -1.6246000000e-03  3.5573000000e-03  3.4860000000e-04
+
+JOB 86
+COORDS  4.8941210000e+00 -3.0813600000e-01  3.6924240000e+00  5.3901430000e+00  5.0199500000e-01  3.5746060000e+00  3.9806200000e+00 -2.5810000000e-02  3.7375870000e+00 -4.8361520000e+00  2.0705800000e-01 -3.7299840000e+00 -5.5842000000e+00  7.6288300000e-01 -3.9484170000e+00 -4.6751140000e+00  3.7536000000e-01 -2.8015590000e+00
+ENERGY -1.526540340879e+02
+FORCES -1.6856000000e-03  4.4446000000e-03 -3.2320000000e-04 -2.0334000000e-03 -3.3002000000e-03  4.9290000000e-04  3.7133000000e-03 -1.1435000000e-03 -1.7160000000e-04 -2.4161000000e-03  2.9265000000e-03  2.8788000000e-03  3.0626000000e-03 -2.2591000000e-03  9.0050000000e-04 -6.4080000000e-04 -6.6830000000e-04 -3.7775000000e-03
+
+JOB 87
+COORDS -4.1076130000e+00 -6.8435200000e-01  5.2157940000e+00 -4.6125500000e+00 -4.3985300000e-01  4.4402360000e+00 -3.5538380000e+00  7.6417000000e-02  5.3912820000e+00  4.0564580000e+00  6.0719100000e-01 -5.2238680000e+00  3.9547540000e+00  8.5136800000e-01 -4.3039410000e+00  4.9886620000e+00  7.3004700000e-01 -5.4031270000e+00
+ENERGY -1.526540681582e+02
+FORCES  1.7300000000e-04  4.0916000000e-03 -2.4557000000e-03  2.0716000000e-03 -9.9000000000e-04  3.1714000000e-03 -2.2428000000e-03 -3.1019000000e-03 -7.1550000000e-04  3.4104000000e-03  1.4715000000e-03  3.0113000000e-03  3.9730000000e-04 -9.8010000000e-04 -3.7472000000e-03 -3.8095000000e-03 -4.9110000000e-04  7.3560000000e-04
+
+JOB 88
+COORDS -5.3518770000e+00 -1.7358080000e+00  4.3654320000e+00 -6.0931080000e+00 -2.3144230000e+00  4.5443510000e+00 -4.6635590000e+00 -2.0372070000e+00  4.9583980000e+00  5.3656760000e+00  1.7891470000e+00 -4.3527750000e+00  4.9872710000e+00  2.5024340000e+00 -4.8668390000e+00  5.4979020000e+00  1.0820990000e+00 -4.9843060000e+00
+ENERGY -1.526540675177e+02
+FORCES -1.8720000000e-04 -3.5835000000e-03  3.1482000000e-03  3.0145000000e-03  2.3597000000e-03 -7.3300000000e-04 -2.8247000000e-03  1.2231000000e-03 -2.4137000000e-03 -1.0398000000e-03  2.8100000000e-05 -4.6636000000e-03  1.5614000000e-03 -2.9088000000e-03  2.0887000000e-03 -5.2420000000e-04  2.8815000000e-03  2.5733000000e-03
+
+JOB 89
+COORDS  6.7714420000e+00  3.9210740000e+00  1.5270030000e+00  7.0699400000e+00  4.5143140000e+00  2.2163480000e+00  5.8205500000e+00  4.0297540000e+00  1.5119880000e+00 -6.8029030000e+00 -3.9446840000e+00 -1.5834030000e+00 -6.5489200000e+00 -4.3626150000e+00 -7.6056800000e-01 -5.9731700000e+00 -3.7270500000e+00 -2.0081510000e+00
+ENERGY -1.526540804325e+02
+FORCES -2.6460000000e-03  2.8854000000e-03  2.7510000000e-03 -1.2236000000e-03 -2.4272000000e-03 -2.8113000000e-03  3.8711000000e-03 -4.5940000000e-04  5.9700000000e-05  4.4234000000e-03 -8.3420000000e-04  1.6126000000e-03 -1.0378000000e-03  1.7135000000e-03 -3.3512000000e-03 -3.3871000000e-03 -8.7810000000e-04  1.7391000000e-03
+
+JOB 0
+COORDS  6.5184400000e-01  9.0393700000e-01 -5.4500500000e-01  1.2993790000e+00  6.8565500000e-01  1.2528000000e-01  1.1277390000e+00  8.2835500000e-01 -1.3720740000e+00 -7.7912100000e-01 -9.0052100000e-01  5.5437700000e-01 -3.2667900000e-01 -4.2939500000e-01 -1.4531400000e-01 -8.7032000000e-02 -1.1339170000e+00  1.1730610000e+00
+ENERGY -1.526521674655e+02
+FORCES -3.2655000000e-03 -7.0804000000e-03  7.7300000000e-03 -4.8867000000e-03 -2.4407000000e-03 -3.8932000000e-03 -3.8114000000e-03 -2.0802000000e-03  5.5488000000e-03  1.2977300000e-02  1.6036500000e-02 -1.0329200000e-02 -7.9580000000e-04 -7.0281000000e-03  3.1393000000e-03 -2.1790000000e-04  2.5928000000e-03 -2.1957000000e-03
+
+JOB 1
+COORDS  4.9002000000e-01  1.3657900000e-01 -1.2326930000e+00  4.8508000000e-02  8.6895000000e-02 -3.8485400000e-01  1.1201500000e+00 -5.8379800000e-01 -1.2177110000e+00 -4.5091300000e-01 -1.2719900000e-01  1.1251570000e+00 -1.3116700000e+00  2.5167000000e-01  9.4686700000e-01 -2.8830500000e-01  7.0000000000e-02  2.0476020000e+00
+ENERGY -1.526539671835e+02
+FORCES -3.7928000000e-03 -4.7891000000e-03  2.1796900000e-02 -8.1708000000e-03  1.7571000000e-03 -4.3559000000e-03 -9.1350000000e-04  1.7805000000e-03 -3.1800000000e-05  8.1710000000e-03  3.9940000000e-03 -1.1457800000e-02  7.8984000000e-03 -1.2780000000e-03 -1.7151000000e-03 -3.1924000000e-03 -1.4645000000e-03 -4.2363000000e-03
+
+JOB 2
+COORDS -1.3560300000e-01  1.0698860000e+00  6.2207400000e-01 -8.8336400000e-01  1.4355380000e+00  1.4943900000e-01 -1.9415600000e-01  1.4531380000e+00  1.4972440000e+00  2.1735200000e-01 -1.1631630000e+00 -6.5301500000e-01 -4.0170400000e-01 -8.1390600000e-01 -1.2941240000e+00  1.3816700000e-01 -5.7814600000e-01  1.0045500000e-01
+ENERGY -1.526551640662e+02
+FORCES -1.2668000000e-03 -6.5610000000e-03 -5.6265000000e-03  3.7038000000e-03 -2.5811000000e-03  2.5231000000e-03 -1.7920000000e-04 -2.3772000000e-03 -5.1425000000e-03 -3.2986000000e-03  1.7852000000e-02  8.6826000000e-03  7.9140000000e-04 -2.1060000000e-04  1.3090000000e-03  2.4930000000e-04 -6.1221000000e-03 -1.7458000000e-03
+
+JOB 3
+COORDS -1.6664000000e-02  4.4758200000e-01 -1.2941880000e+00 -4.7870000000e-03  2.6675000000e-01 -3.5429900000e-01  9.0279600000e-01  4.0938300000e-01 -1.5575630000e+00 -6.1378000000e-02 -4.3598700000e-01  1.1955250000e+00 -4.8803600000e-01 -9.3285000000e-02  1.9808600000e+00  7.9030700000e-01 -7.4761900000e-01  1.5017120000e+00
+ENERGY -1.526582286309e+02
+FORCES  6.0300000000e-04 -5.6136000000e-03  1.6344900000e-02  1.8226000000e-03  3.1314000000e-03 -8.1935000000e-03 -2.0963000000e-03 -7.4390000000e-04  2.4164000000e-03  7.7280000000e-04  3.0368000000e-03 -5.3975000000e-03  3.3180000000e-03 -2.4920000000e-03 -3.5225000000e-03 -4.4201000000e-03  2.6813000000e-03 -1.6479000000e-03
+
+JOB 4
+COORDS -7.4539900000e-01  2.1865600000e-01  1.0365980000e+00 -3.4995500000e-01 -3.0383500000e-01  1.7343510000e+00 -1.4231860000e+00  7.3219200000e-01  1.4760510000e+00  7.8915300000e-01 -2.3615300000e-01 -1.1529150000e+00  3.5041000000e-02 -6.5653100000e-01 -7.3960000000e-01  9.9893300000e-01  4.9957500000e-01 -5.7765100000e-01
+ENERGY -1.526575235434e+02
+FORCES  6.1630000000e-04 -5.2600000000e-04  2.9620000000e-04 -1.8895000000e-03  2.6294000000e-03 -4.4730000000e-03  4.0799000000e-03 -2.4021000000e-03 -1.6963000000e-03 -9.4108000000e-03  5.0851000000e-03  1.1364700000e-02  2.9426000000e-03 -3.8319000000e-03 -2.8008000000e-03  3.6615000000e-03 -9.5450000000e-04 -2.6907000000e-03
+
+JOB 5
+COORDS -9.4781500000e-01 -7.4910800000e-01 -5.0043100000e-01 -1.2465510000e+00 -8.0385800000e-01 -1.4081700000e+00 -7.8144800000e-01 -1.6571300000e+00 -2.4735100000e-01  1.0229570000e+00  8.0829000000e-01  5.2358100000e-01  4.5205500000e-01  9.4409000000e-02  2.3954600000e-01  4.4801100000e-01  1.3937970000e+00  1.0163790000e+00
+ENERGY -1.526589792821e+02
+FORCES  2.9805000000e-03  2.6188000000e-03 -2.8264000000e-03  4.7040000000e-04 -1.4413000000e-03  4.9343000000e-03  1.2490000000e-03  6.2893000000e-03 -1.1643000000e-03 -1.3631200000e-02 -6.1911000000e-03 -5.3866000000e-03  7.1237000000e-03 -7.2100000000e-05  5.5717000000e-03  1.8075000000e-03 -1.2036000000e-03 -1.1287000000e-03
+
+JOB 6
+COORDS -3.5746100000e-01 -2.9879000000e-01  1.2325710000e+00 -6.5237200000e-01  1.8108500000e-01  2.0065090000e+00 -1.0802710000e+00 -8.9209500000e-01  1.0282020000e+00  3.9501000000e-01  2.5435500000e-01 -1.3102690000e+00  3.8321000000e-02  4.2591200000e-01 -4.3873400000e-01  1.0828670000e+00  9.1064000000e-01 -1.4215160000e+00
+ENERGY -1.526593111187e+02
+FORCES -1.8268000000e-03 -2.5385000000e-03 -1.8265000000e-03  1.4841000000e-03 -2.2151000000e-03 -4.5764000000e-03  3.4247000000e-03  4.6729000000e-03  1.3706000000e-03 -9.2380000000e-04 -5.5810000000e-04  1.2948800000e-02  1.8730000000e-04  2.2084000000e-03 -9.5838000000e-03 -2.3454000000e-03 -1.5696000000e-03  1.6671000000e-03
+
+JOB 7
+COORDS -5.9344500000e-01  7.5489200000e-01 -8.9171600000e-01 -1.1987330000e+00  1.3594970000e+00 -1.3210310000e+00 -2.6090000000e-03  4.7111800000e-01 -1.5892950000e+00  6.2121700000e-01 -8.2548300000e-01  9.3419500000e-01  3.6816400000e-01 -7.0251900000e-01  1.8491140000e+00  3.6804300000e-01 -9.0730000000e-03  5.0336900000e-01
+ENERGY -1.526583549123e+02
+FORCES  7.3610000000e-04 -2.5979000000e-03  1.8300000000e-05  2.7705000000e-03 -3.6532000000e-03  5.6440000000e-04 -2.5794000000e-03  2.6865000000e-03  4.7151000000e-03 -7.7177000000e-03  7.9905000000e-03 -4.0967000000e-03  2.3860000000e-04  2.1910000000e-04 -2.8989000000e-03  6.5519000000e-03 -4.6451000000e-03  1.6977000000e-03
+
+JOB 8
+COORDS  9.5657200000e-01  9.2969100000e-01 -1.3656000000e-01  1.7994660000e+00  8.9752900000e-01  3.1590700000e-01  4.6365800000e-01  1.6098980000e+00  3.2233500000e-01 -9.8945900000e-01 -1.0365560000e+00  5.9022000000e-02 -1.4993000000e-01 -5.8623100000e-01 -3.3882000000e-02 -1.5467830000e+00 -4.1190500000e-01  5.2317100000e-01
+ENERGY -1.526586052180e+02
+FORCES -1.6623000000e-03  1.4279000000e-03  3.1903000000e-03 -5.1352000000e-03 -1.2900000000e-04 -1.8633000000e-03  2.0058000000e-03 -4.5990000000e-03 -1.5578000000e-03  9.1320000000e-03  1.1321600000e-02 -4.2570000000e-04 -5.7748000000e-03 -7.0180000000e-03  1.6857000000e-03  1.4346000000e-03 -1.0035000000e-03 -1.0292000000e-03
+
+JOB 9
+COORDS -1.0516240000e+00 -8.0263500000e-01  1.4379600000e-01 -1.5549550000e+00 -1.0929890000e+00 -6.1685100000e-01 -1.6889040000e+00 -3.4649200000e-01  6.9337600000e-01  1.1239240000e+00  8.5032700000e-01 -1.0083400000e-01  4.3494400000e-01  1.9395000000e-01  2.6440000000e-03  1.7055820000e+00  4.8468000000e-01 -7.6732300000e-01
+ENERGY -1.526608332754e+02
+FORCES -4.4850000000e-04  4.3868000000e-03 -2.0565000000e-03  1.7429000000e-03  1.3896000000e-03  4.2094000000e-03  3.0722000000e-03 -2.5380000000e-03 -3.6350000000e-03 -9.6503000000e-03 -1.0289400000e-02 -3.1300000000e-04  7.8581000000e-03  6.6978000000e-03  3.9970000000e-04 -2.5744000000e-03  3.5320000000e-04  1.3954000000e-03
+
+JOB 10
+COORDS -3.2347200000e-01  6.9978300000e-01  1.1798920000e+00  4.4403300000e-01  1.1660760000e+00  1.5111600000e+00  2.1114000000e-02  1.2626900000e-01  4.9536700000e-01  2.4555600000e-01 -7.1756200000e-01 -1.0984240000e+00  9.2548600000e-01 -1.0317150000e+00 -1.6944400000e+00 -1.1137200000e-01  5.8979000000e-02 -1.5294910000e+00
+ENERGY -1.526600015102e+02
+FORCES  6.0626000000e-03 -7.3104000000e-03 -7.0736000000e-03 -1.9227000000e-03 -1.6565000000e-03 -1.9462000000e-03 -4.4829000000e-03  8.1737000000e-03  3.7062000000e-03  5.9600000000e-04  2.2930000000e-03 -6.7530000000e-04 -3.8389000000e-03  2.5533000000e-03  1.6616000000e-03  3.5858000000e-03 -4.0531000000e-03  4.3273000000e-03
+
+JOB 11
+COORDS -3.0419300000e-01 -1.3618430000e+00  3.3407400000e-01 -3.3786100000e-01 -4.2355300000e-01  1.4776800000e-01  5.7300900000e-01 -1.6295910000e+00  6.0106000000e-02  2.5818800000e-01  1.2559580000e+00 -3.0958000000e-01  6.1154400000e-01  1.8632420000e+00 -9.5964000000e-01 -1.1312600000e-01  1.8199570000e+00  3.6884600000e-01
+ENERGY -1.526590291832e+02
+FORCES  6.4959000000e-03  1.1586200000e-02 -5.4567000000e-03 -4.1005000000e-03 -3.8283000000e-03  5.2989000000e-03 -2.2716000000e-03 -8.6850000000e-04  7.1520000000e-04 -1.8290000000e-04 -1.4806000000e-03 -9.0710000000e-04 -1.2604000000e-03 -1.4987000000e-03  4.3811000000e-03  1.3193000000e-03 -3.9100000000e-03 -4.0314000000e-03
+
+JOB 12
+COORDS  1.0596350000e+00  3.0976500000e-01  9.0446300000e-01  1.2148200000e-01  3.4585800000e-01  7.1791700000e-01  1.4463580000e+00  9.5865700000e-01  3.1657200000e-01 -1.0272490000e+00 -2.9698900000e-01 -8.1356700000e-01 -2.9301200000e-01 -8.7982700000e-01 -1.0070330000e+00 -1.7331640000e+00 -6.0314500000e-01 -1.3829400000e+00
+ENERGY -1.526602152563e+02
+FORCES -7.7960000000e-03  3.5442000000e-03 -4.9523000000e-03  6.7649000000e-03 -1.3805000000e-03  2.1805000000e-03 -5.4980000000e-04 -3.0545000000e-03  1.4763000000e-03  2.1744000000e-03 -2.8148000000e-03 -4.3910000000e-04 -5.1155000000e-03  3.3921000000e-03  1.1260000000e-04  4.5221000000e-03  3.1350000000e-04  1.6219000000e-03
+
+JOB 13
+COORDS  5.1413900000e-01  1.2470270000e+00  3.3504400000e-01  8.2003200000e-01  1.1189980000e+00 -5.6288100000e-01 -2.8990900000e-01  1.7583590000e+00  2.4405400000e-01 -5.4058900000e-01 -1.2717290000e+00 -2.6460300000e-01 -6.0136000000e-02 -1.8798600000e+00 -8.2636100000e-01  9.2419000000e-02 -5.8378100000e-01 -5.9027000000e-02
+ENERGY -1.526568802241e+02
+FORCES -6.5001000000e-03  1.9641000000e-03 -3.8681000000e-03 -2.6092000000e-03 -5.6678000000e-03  5.8827000000e-03  4.9658000000e-03 -1.7040000000e-03  2.5370000000e-04  5.0639000000e-03  7.1190000000e-03  4.5175000000e-03 -2.6920000000e-04  4.5788000000e-03  1.7631000000e-03 -6.5120000000e-04 -6.2901000000e-03 -8.5488000000e-03
+
+JOB 14
+COORDS -5.8951900000e-01  1.2241790000e+00 -1.1802600000e-01  1.2900000000e-01  1.6997400000e+00 -5.3492500000e-01 -1.2514700000e+00  1.1396880000e+00 -8.0425700000e-01  5.7283600000e-01 -1.2704000000e+00  2.4353700000e-01  1.3238650000e+00 -1.4915180000e+00 -3.0718400000e-01  7.0978000000e-02 -6.4228700000e-01 -2.7592800000e-01
+ENERGY -1.526553084668e+02
+FORCES  2.2790000000e-03  3.0568000000e-03 -3.6000000000e-04 -3.7321000000e-03 -4.0894000000e-03  1.1144000000e-03  5.6471000000e-03 -3.2644000000e-03  3.4264000000e-03 -3.9688000000e-03  9.9331000000e-03 -2.4310000000e-03 -2.9497000000e-03  2.8176000000e-03  1.4538000000e-03  2.7245000000e-03 -8.4537000000e-03 -3.2036000000e-03
+
+JOB 15
+COORDS  3.5157400000e-01  5.5384400000e-01 -1.2285540000e+00  9.7820100000e-01  1.1193030000e+00 -7.7708300000e-01 -4.7001400000e-01  1.0447060000e+00 -1.2118270000e+00 -3.4330600000e-01 -5.8703700000e-01  1.2533840000e+00 -6.8706700000e-01 -1.4645840000e+00  1.0861370000e+00  2.3419000000e-02 -3.0896600000e-01  4.1408600000e-01
+ENERGY -1.526602975415e+02
+FORCES -2.1293000000e-03  5.3867000000e-03  1.0084000000e-03 -4.7834000000e-03 -5.3979000000e-03 -1.8300000000e-05  4.8033000000e-03 -3.5644000000e-03  1.0079000000e-03  2.9688000000e-03  3.7710000000e-04 -1.2442300000e-02  7.6410000000e-04  2.9707000000e-03 -1.8600000000e-05 -1.6233000000e-03  2.2780000000e-04  1.0463000000e-02
+
+JOB 16
+COORDS  5.8270200000e-01 -1.3159840000e+00 -4.2222000000e-02 -2.5463800000e-01 -1.4947760000e+00  3.8571200000e-01  1.0626500000e+00 -7.7599200000e-01  5.8570300000e-01 -5.5658900000e-01  1.3158960000e+00  4.1483000000e-02 -1.0863480000e+00  1.7203390000e+00 -6.4554900000e-01 -1.5005500000e-01  5.6013600000e-01 -3.8253100000e-01
+ENERGY -1.526599925753e+02
+FORCES -1.7059000000e-03 -1.0280000000e-04  7.8648000000e-03  4.0137000000e-03  1.7834000000e-03 -3.6959000000e-03 -3.6711000000e-03 -7.1320000000e-04 -5.8270000000e-03  2.2591000000e-03 -5.7879000000e-03 -5.2355000000e-03  1.9412000000e-03 -2.7691000000e-03  1.9391000000e-03 -2.8369000000e-03  7.5896000000e-03  4.9545000000e-03
+
+JOB 17
+COORDS -9.1031000000e-02  1.2901570000e+00 -7.3172000000e-01 -6.6324700000e-01  1.2482870000e+00  3.4470000000e-02  2.5441600000e-01  4.0205000000e-01 -8.2207700000e-01  1.1054600000e-01 -1.1711990000e+00  6.5704000000e-01 -6.2112000000e-01 -1.7872210000e+00  6.1944200000e-01  7.3069200000e-01 -1.5720360000e+00  1.2661210000e+00
+ENERGY -1.526589168455e+02
+FORCES  3.8150000000e-04 -1.0452300000e-02  8.0612000000e-03 -5.3990000000e-04  3.0087000000e-03 -2.6243000000e-03 -1.1710000000e-04  4.3855000000e-03 -4.7404000000e-03  3.2300000000e-04 -1.9337000000e-03  1.6931000000e-03  3.5098000000e-03  3.5464000000e-03  4.1410000000e-04 -3.5573000000e-03  1.4453000000e-03 -2.8037000000e-03
+
+JOB 18
+COORDS -1.2638640000e+00  1.7254400000e-01 -6.9657200000e-01 -9.2002300000e-01  8.1998400000e-01 -1.3120620000e+00 -1.0609850000e+00  5.3128900000e-01  1.6735700000e-01  1.2545240000e+00 -2.8360300000e-01  7.2422100000e-01  4.9115900000e-01 -2.5484700000e-01  1.4743700000e-01  1.6656740000e+00  5.7462700000e-01  6.2112900000e-01
+ENERGY -1.526548998184e+02
+FORCES -9.1610000000e-04  5.6923000000e-03  8.7480000000e-04  1.4400000000e-04 -4.1224000000e-03  4.3529000000e-03  6.3038000000e-03 -5.5788000000e-03 -6.3062000000e-03 -4.1990000000e-03  8.2330000000e-04 -7.2002000000e-03  2.1362000000e-03  5.8708000000e-03  8.2727000000e-03 -3.4688000000e-03 -2.6852000000e-03  6.0000000000e-06
+
+JOB 19
+COORDS  9.8660200000e-01  7.1138700000e-01  6.4432900000e-01  1.4855740000e+00  2.0368200000e-01  1.2842450000e+00  1.6522540000e+00  1.1433260000e+00  1.0900800000e-01 -1.1135350000e+00 -6.7979000000e-01 -6.7637300000e-01 -4.4605900000e-01 -1.8198800000e-01 -2.0425000000e-01 -7.6723400000e-01 -1.5714230000e+00 -7.1239500000e-01
+ENERGY -1.526611045301e+02
+FORCES  3.0070000000e-03 -5.5340000000e-04 -7.8340000000e-04 -1.9865000000e-03  2.2136000000e-03 -4.0458000000e-03 -2.5616000000e-03 -2.7067000000e-03  3.4564000000e-03  9.7566000000e-03  3.7890000000e-03  5.5180000000e-03 -7.6506000000e-03 -5.3013000000e-03 -4.6383000000e-03 -5.6490000000e-04  2.5588000000e-03  4.9310000000e-04
+
+JOB 20
+COORDS  6.2816000000e-02 -1.5650000000e-02  1.5271950000e+00  4.7846100000e-01 -8.5216300000e-01  1.7362790000e+00 -2.0665300000e-01 -1.0345400000e-01  6.1291400000e-01 -4.3457000000e-02  8.6928000000e-02 -1.4294150000e+00 -5.8965500000e-01  5.8951700000e-01 -2.0338180000e+00  3.1969000000e-02 -7.7655800000e-01 -1.8355360000e+00
+ENERGY -1.526598498840e+02
+FORCES  8.2150000000e-04 -1.4795000000e-03 -8.7377000000e-03 -1.4262000000e-03  2.3393000000e-03 -1.2697000000e-03 -3.3570000000e-04 -2.2045000000e-03  9.7752000000e-03 -1.1378000000e-03  4.4120000000e-04 -4.9816000000e-03  2.8590000000e-03 -3.1176000000e-03  2.2354000000e-03 -7.8090000000e-04  4.0211000000e-03  2.9782000000e-03
+
+JOB 21
+COORDS -6.8037000000e-02 -1.1627090000e+00  8.7292900000e-01 -9.3239700000e-01 -1.5717270000e+00  8.3029500000e-01  5.3169800000e-01 -1.8347030000e+00  5.4892900000e-01  9.4547000000e-02  1.2921400000e+00 -8.4238500000e-01 -2.0108400000e-01  8.7694400000e-01 -1.6525990000e+00  1.9399400000e-01  5.6817600000e-01 -2.2414800000e-01
+ENERGY -1.526606885593e+02
+FORCES -2.4322000000e-03 -5.1522000000e-03  6.4100000000e-05  4.7188000000e-03  1.2263000000e-03 -3.2300000000e-04 -3.4600000000e-03  3.8633000000e-03  6.1150000000e-04 -1.3760000000e-03 -8.9021000000e-03  3.6097000000e-03  8.2340000000e-04  1.2003000000e-03  2.2461000000e-03  1.7260000000e-03  7.7644000000e-03 -6.2085000000e-03
+
+JOB 22
+COORDS  4.0103400000e-01  1.0193060000e+00  9.8327400000e-01  6.6736400000e-01  1.5790310000e+00  2.5388500000e-01 -2.8625900000e-01  1.5154050000e+00  1.4279590000e+00 -3.8310600000e-01 -1.1408830000e+00 -9.7601500000e-01 -9.2772000000e-02 -7.3275400000e-01 -1.6031300000e-01 -5.7112700000e-01 -4.0519600000e-01 -1.5588050000e+00
+ENERGY -1.526593790227e+02
+FORCES -1.4160000000e-03  5.6604000000e-03  3.8900000000e-05 -2.5526000000e-03 -3.6462000000e-03  2.6718000000e-03  3.4383000000e-03 -1.9789000000e-03 -2.7851000000e-03  1.4032000000e-03  7.8428000000e-03  5.4786000000e-03 -1.7085000000e-03 -5.9562000000e-03 -6.5070000000e-03  8.3560000000e-04 -1.9218000000e-03  1.1028000000e-03
+
+JOB 23
+COORDS -1.3366090000e+00 -4.0007900000e-01  5.7274800000e-01 -4.4943200000e-01 -2.6373200000e-01  9.0525300000e-01 -1.9041470000e+00 -2.6840000000e-03  1.2332100000e+00  1.2708630000e+00  4.1605100000e-01 -6.1591600000e-01  2.2086830000e+00  5.8964400000e-01 -5.3473600000e-01  1.2165350000e+00 -5.1689200000e-01 -8.2303300000e-01
+ENERGY -1.526567651216e+02
+FORCES  3.7525000000e-03  4.9899000000e-03  2.1547000000e-03 -5.4128000000e-03 -4.7003000000e-03  7.3250000000e-04  2.4247000000e-03 -1.2075000000e-03 -2.2596000000e-03  2.9818000000e-03 -2.8936000000e-03 -4.0461000000e-03 -4.6685000000e-03 -7.7770000000e-04  3.1100000000e-05  9.2220000000e-04  4.5893000000e-03  3.3873000000e-03
+
+JOB 24
+COORDS -6.8252200000e-01  1.3414730000e+00 -9.1675000000e-02  1.9377000000e-01  1.7266060000e+00 -9.5870000000e-02 -9.1743300000e-01  1.2694290000e+00 -1.0168010000e+00  6.0536500000e-01 -1.3897980000e+00  1.9506600000e-01  1.4139460000e+00 -1.6707830000e+00 -2.3327600000e-01  4.0877700000e-01 -5.3929600000e-01 -1.9765800000e-01
+ENERGY -1.526562148383e+02
+FORCES -5.9410000000e-04  5.4214000000e-03 -1.9551000000e-03 -3.7328000000e-03 -5.2428000000e-03 -9.3430000000e-04  3.1398000000e-03 -1.7216000000e-03  5.1033000000e-03 -1.5209000000e-03  5.2384000000e-03 -1.6463000000e-03 -3.3534000000e-03  2.6530000000e-03  1.2580000000e-03  6.0614000000e-03 -6.3484000000e-03 -1.8257000000e-03
+
+JOB 25
+COORDS  7.8258300000e-01 -4.9439100000e-01 -1.1940890000e+00 -1.3535400000e-01 -6.9465800000e-01 -1.3771630000e+00  9.8931500000e-01  2.3699900000e-01 -1.7759510000e+00 -7.7413700000e-01  5.1451100000e-01  1.1846340000e+00 -8.7568500000e-01  4.9140000000e-01  2.1361520000e+00 -1.9726700000e-01 -2.2328200000e-01  9.8685800000e-01
+ENERGY -1.526581727236e+02
+FORCES -3.2356000000e-03  5.3692000000e-03 -3.8265000000e-03  4.6238000000e-03 -1.8720000000e-04  2.1886000000e-03 -5.8560000000e-04 -3.7665000000e-03  1.1816000000e-03  4.5152000000e-03 -2.9185000000e-03  7.8990000000e-04  1.1932000000e-03 -2.1630000000e-04 -3.9454000000e-03 -6.5110000000e-03  1.7193000000e-03  3.6119000000e-03
+
+JOB 26
+COORDS -1.0075590000e+00 -1.4054700000e-01  1.0998730000e+00 -1.7118850000e+00  4.8899900000e-01  9.4551300000e-01 -1.4308460000e+00 -9.9620000000e-01  1.0297420000e+00  1.0613270000e+00  1.7894100000e-01 -1.1420210000e+00  4.6482800000e-01  2.8302000000e-02 -4.0872100000e-01  1.9230860000e+00 -6.5315000000e-02 -8.0446800000e-01
+ENERGY -1.526618851630e+02
+FORCES -6.7290000000e-03 -4.2340000000e-04  9.1430000000e-04  3.2479000000e-03 -3.6913000000e-03  6.8980000000e-04  2.2615000000e-03  4.4103000000e-03 -2.9500000000e-05 -2.4624000000e-03 -1.2848000000e-03  7.8207000000e-03  6.5800000000e-03  5.2000000000e-04 -8.4212000000e-03 -2.8981000000e-03  4.6920000000e-04 -9.7410000000e-04
+
+JOB 27
+COORDS  6.1379500000e-01 -5.7768500000e-01  1.3460140000e+00  5.3625400000e-01 -4.8052100000e-01  3.9692100000e-01  5.2621000000e-01  3.1266700000e-01  1.6863570000e+00 -5.9865300000e-01  5.3472700000e-01 -1.2528370000e+00  8.8801000000e-02  3.3805800000e-01 -1.8892010000e+00 -1.4123570000e+00  4.7992300000e-01 -1.7539500000e+00
+ENERGY -1.526582202111e+02
+FORCES -4.6664000000e-03  6.1491000000e-03 -5.7148000000e-03  5.6518000000e-03 -3.0290000000e-03  3.7394000000e-03  1.1549000000e-03 -3.1920000000e-03  3.9670000000e-04 -3.6744000000e-03 -4.3720000000e-04 -4.8699000000e-03 -2.6030000000e-03 -3.5540000000e-04  5.1041000000e-03  4.1370000000e-03  8.6450000000e-04  1.3446000000e-03
+
+JOB 28
+COORDS  1.4593620000e+00 -5.1986500000e-01  2.4305900000e-01  2.0998570000e+00  1.2738900000e-01 -5.2001000000e-02  7.2059400000e-01 -4.1720500000e-01 -3.5687000000e-01 -1.4389370000e+00  5.3160700000e-01 -1.4190400000e-01 -1.2024260000e+00  5.1687400000e-01 -1.0693080000e+00 -1.9186060000e+00 -2.8509900000e-01 -3.5590000000e-03
+ENERGY -1.526534218065e+02
+FORCES -4.2836000000e-03  5.5560000000e-03 -1.6252000000e-03 -2.6388000000e-03 -2.5450000000e-03  6.7570000000e-04  4.5717000000e-03 -2.8665000000e-03 -2.2000000000e-03 -3.6073000000e-03 -2.3957000000e-03 -1.0435000000e-03  2.8822000000e-03 -1.6028000000e-03  5.5409000000e-03  3.0759000000e-03  3.8540000000e-03 -1.3479000000e-03
+
+JOB 29
+COORDS -8.8433300000e-01  4.4419200000e-01 -1.1507940000e+00 -1.1829930000e+00  1.2711310000e+00 -1.5292200000e+00 -1.5275560000e+00  2.4548300000e-01 -4.7034400000e-01  9.9669800000e-01 -4.5249400000e-01  1.1306040000e+00  3.5194600000e-01 -3.5293900000e-01  4.3016400000e-01  5.2730900000e-01 -9.1493400000e-01  1.8249060000e+00
+ENERGY -1.526570000519e+02
+FORCES -3.8180000000e-03  5.8330000000e-03 -1.1039000000e-03  7.6000000000e-06 -4.2196000000e-03  1.3991000000e-03  6.3802000000e-03 -5.7140000000e-04 -1.2554000000e-03 -3.6353000000e-03  1.8650000000e-04 -3.9634000000e-03  5.5080000000e-04 -3.5126000000e-03  8.1983000000e-03  5.1460000000e-04  2.2840000000e-03 -3.2748000000e-03
+
+JOB 30
+COORDS -5.0599000000e-01 -3.6476000000e-02 -1.4809560000e+00  1.3263400000e-01 -2.8826500000e-01 -2.1480350000e+00  2.4133000000e-02  2.4792500000e-01 -7.3643100000e-01  4.9704800000e-01  5.8881000000e-02  1.4399660000e+00 -3.6854400000e-01  4.2490600000e-01  1.6216430000e+00  5.1299800000e-01 -7.6918400000e-01  1.9198470000e+00
+ENERGY -1.526599457611e+02
+FORCES  6.3640000000e-03 -4.0750000000e-04  3.9700000000e-03 -2.0484000000e-03  6.2710000000e-04  2.4294000000e-03 -5.0605000000e-03  1.4528000000e-03 -7.3480000000e-03 -3.8208000000e-03 -4.2090000000e-03  4.3521000000e-03  4.6394000000e-03 -1.5592000000e-03 -2.3015000000e-03 -7.3700000000e-05  4.0958000000e-03 -1.1020000000e-03
+
+JOB 31
+COORDS  7.9887400000e-01 -8.9995400000e-01  8.7514400000e-01  6.2747600000e-01 -1.8378810000e+00  7.9059800000e-01  1.2235240000e+00 -8.0953400000e-01  1.7282150000e+00 -7.9663200000e-01  9.9900900000e-01 -9.6303700000e-01 -1.6113250000e+00  5.0023800000e-01 -9.0193400000e-01 -2.4163700000e-01  6.3771200000e-01 -2.7189500000e-01
+ENERGY -1.526604034842e+02
+FORCES  1.7009000000e-03 -4.6289000000e-03  2.5788000000e-03  8.6130000000e-04  4.0950000000e-03  1.3866000000e-03 -2.0682000000e-03 -9.7590000000e-04 -3.9038000000e-03  1.8276000000e-03 -6.1511000000e-03  5.5666000000e-03  2.1733000000e-03  1.5479000000e-03 -7.4380000000e-04 -4.4950000000e-03  6.1130000000e-03 -4.8845000000e-03
+
+JOB 32
+COORDS -4.6506400000e-01 -7.1577600000e-01 -1.3081430000e+00 -1.4004720000e+00 -9.1843100000e-01 -1.3213270000e+00 -1.1140200000e-01 -1.2604190000e+00 -6.0492200000e-01  5.2122500000e-01  8.1189300000e-01  1.2568590000e+00  6.9283500000e-01  2.0891800000e-01  1.9801870000e+00 -1.3154300000e-01  3.6280800000e-01  7.1978400000e-01
+ENERGY -1.526547077763e+02
+FORCES -9.7400000000e-04 -5.1813000000e-03 -1.2053000000e-03  4.9199000000e-03  1.7832000000e-03  1.4572000000e-03 -3.3453000000e-03  5.5748000000e-03 -4.6480000000e-04 -2.8390000000e-03 -2.4468000000e-03 -2.2804000000e-03 -9.7260000000e-04  1.2997000000e-03 -4.1732000000e-03  3.2111000000e-03 -1.0296000000e-03  6.6664000000e-03
+
+JOB 33
+COORDS -1.0377960000e+00  2.1575700000e-01  1.1394220000e+00 -1.5744350000e+00 -4.6853100000e-01  1.5394230000e+00 -3.3706800000e-01  3.7199800000e-01  1.7725110000e+00  1.0169440000e+00 -1.7380300000e-01 -1.2662480000e+00  3.5303800000e-01 -1.9750900000e-01 -5.7711900000e-01  1.8380120000e+00 -3.7070000000e-01 -8.1534800000e-01
+ENERGY -1.526594457373e+02
+FORCES -2.4647000000e-03 -8.7690000000e-04  6.7322000000e-03  3.0397000000e-03  3.3826000000e-03 -1.5544000000e-03 -2.4164000000e-03 -1.9519000000e-03 -4.4046000000e-03 -3.0237000000e-03 -1.9100000000e-04  5.9669000000e-03  7.8788000000e-03 -1.2456000000e-03 -5.8598000000e-03 -3.0139000000e-03  8.8290000000e-04 -8.8030000000e-04
+
+JOB 34
+COORDS  5.6949500000e-01 -4.0117300000e-01  1.3791600000e+00  1.3523450000e+00 -1.0238400000e-01  1.8418720000e+00  3.1380000000e-02 -8.0993800000e-01  2.0570800000e+00 -6.2691400000e-01  4.3999100000e-01 -1.4210190000e+00  2.3294300000e-01  7.4723200000e-01 -1.7082150000e+00 -6.8403100000e-01 -4.5659300000e-01 -1.7513330000e+00
+ENERGY -1.526520293706e+02
+FORCES -6.9820000000e-04  3.3990000000e-04  4.4196000000e-03 -3.1655000000e-03 -1.0083000000e-03 -2.8550000000e-03  2.4657000000e-03  1.3287000000e-03 -3.0322000000e-03  5.4087000000e-03 -3.6857000000e-03  1.3144000000e-03 -3.4216000000e-03 -4.5150000000e-04 -1.7980000000e-04 -5.8910000000e-04  3.4768000000e-03  3.3300000000e-04
+
+JOB 35
+COORDS -5.5662500000e-01 -2.9577600000e-01  1.5621950000e+00 -1.2304200000e+00  3.1798300000e-01  1.2697370000e+00  2.3199000000e-01 -2.9537000000e-02  1.0895050000e+00  6.0327500000e-01  2.7544100000e-01 -1.4776630000e+00  3.4907500000e-01 -6.3752200000e-01 -1.6122440000e+00  2.9468000000e-02  7.7273600000e-01 -2.0604800000e+00
+ENERGY -1.526583325792e+02
+FORCES  1.8432000000e-03  5.2231000000e-03 -5.5675000000e-03  1.2160000000e-03 -2.5172000000e-03  1.7351000000e-03 -3.0642000000e-03 -2.8020000000e-03  5.1184000000e-03 -3.5417000000e-03 -2.2661000000e-03 -4.6727000000e-03  1.4056000000e-03  4.6075000000e-03  6.5170000000e-04  2.1411000000e-03 -2.2453000000e-03  2.7350000000e-03
+
+JOB 36
+COORDS -1.2221740000e+00 -2.0549900000e-01 -1.0628780000e+00 -1.7554960000e+00 -9.4638800000e-01 -7.7498500000e-01 -6.0588300000e-01 -5.8296500000e-01 -1.6905220000e+00  1.2543350000e+00  2.0804200000e-01  1.0776010000e+00  1.5626770000e+00  1.0388090000e+00  1.4395160000e+00  3.5850100000e-01  3.8820300000e-01  7.9254800000e-01
+ENERGY -1.526596403348e+02
+FORCES -5.8900000000e-05 -5.7764000000e-03 -3.9661000000e-03  2.5614000000e-03  3.4691000000e-03 -9.5220000000e-04 -3.5527000000e-03  1.6435000000e-03  2.6074000000e-03 -4.2813000000e-03  3.6733000000e-03 -1.2668000000e-03 -1.3589000000e-03 -2.9469000000e-03 -1.5091000000e-03  6.6904000000e-03 -6.2600000000e-05  5.0868000000e-03
+
+JOB 37
+COORDS  2.6911500000e-01 -5.1478500000e-01  1.5839740000e+00  5.0562300000e-01 -3.9456600000e-01  6.6427600000e-01  1.0818450000e+00 -3.5478200000e-01  2.0636620000e+00 -2.7231100000e-01  5.0230000000e-01 -1.5414910000e+00 -7.3380500000e-01  4.4356300000e-01 -2.3780340000e+00 -9.6433900000e-01  4.5555700000e-01 -8.8183700000e-01
+ENERGY -1.526585893901e+02
+FORCES  5.7398000000e-03  1.0151000000e-03 -2.3508000000e-03 -3.3929000000e-03 -3.1220000000e-04  6.4292000000e-03 -3.0062000000e-03 -8.8070000000e-04 -1.6940000000e-03 -5.9878000000e-03  4.1640000000e-04 -2.9063000000e-03  1.4029000000e-03  7.6430000000e-04  3.5982000000e-03  5.2442000000e-03 -1.0029000000e-03 -3.0763000000e-03
+
+JOB 38
+COORDS -1.0403880000e+00  1.1183010000e+00  8.0221100000e-01 -1.2787660000e+00  5.2675400000e-01  8.8433000000e-02 -3.5435100000e-01  1.6748660000e+00  4.3367400000e-01  1.0061620000e+00 -1.0694240000e+00 -7.7965800000e-01  5.6539100000e-01 -1.3581210000e+00  1.9471000000e-02  1.7045130000e+00 -1.7102360000e+00 -9.1343300000e-01
+ENERGY -1.526573008599e+02
+FORCES  2.8195000000e-03  8.8340000000e-04 -6.2341000000e-03  2.5240000000e-04  1.2090000000e-03  4.5945000000e-03 -3.4690000000e-03 -1.1700000000e-03  2.4616000000e-03  2.0821000000e-03 -4.3252000000e-03  3.2041000000e-03  1.1641000000e-03  7.5140000000e-04 -4.9886000000e-03 -2.8491000000e-03  2.6514000000e-03  9.6250000000e-04
+
+JOB 39
+COORDS  3.2840300000e-01  1.0181960000e+00 -1.3548210000e+00 -2.9453400000e-01  1.2016430000e+00 -6.5159500000e-01  1.0954690000e+00  1.5491470000e+00 -1.1405000000e+00 -2.9548500000e-01 -1.0016510000e+00  1.3318230000e+00 -2.6624500000e-01 -1.3507380000e+00  4.4102800000e-01 -9.5236800000e-01 -1.5363830000e+00  1.7776910000e+00
+ENERGY -1.526578696612e+02
+FORCES  9.7510000000e-04  3.6805000000e-03  5.1434000000e-03  2.2634000000e-03 -4.7380000000e-04 -4.8608000000e-03 -3.0244000000e-03 -1.7520000000e-03 -1.3616000000e-03 -1.3340000000e-03 -4.8316000000e-03 -2.1417000000e-03 -1.4934000000e-03  1.0562000000e-03  5.3479000000e-03  2.6134000000e-03  2.3207000000e-03 -2.1272000000e-03
+
+JOB 40
+COORDS  6.2569500000e-01 -1.5332940000e+00 -3.5451300000e-01 -2.9013600000e-01 -1.2577410000e+00 -3.9396500000e-01  6.4071600000e-01 -2.3807160000e+00 -7.9935200000e-01 -6.1196600000e-01  1.5477160000e+00  3.3776100000e-01 -8.0017700000e-01  2.2246050000e+00  9.8786100000e-01  2.7686300000e-01  1.2580010000e+00  5.4338600000e-01
+ENERGY -1.526582860330e+02
+FORCES -4.2882000000e-03 -2.4459000000e-03 -2.4972000000e-03  5.2118000000e-03 -2.8596000000e-03  1.0380000000e-04 -4.6860000000e-04  3.2272000000e-03  1.7411000000e-03  3.7758000000e-03  2.3228000000e-03  3.6163000000e-03  1.0371000000e-03 -2.5830000000e-03 -2.5902000000e-03 -5.2678000000e-03  2.3385000000e-03 -3.7380000000e-04
+
+JOB 41
+COORDS -8.0123500000e-01 -1.3803190000e+00 -5.2277500000e-01 -1.5212780000e+00 -8.5403100000e-01 -8.7032600000e-01 -1.2139750000e+00 -2.1980870000e+00 -2.4504800000e-01  8.3382600000e-01  1.4035060000e+00  5.8694900000e-01  7.8914100000e-01  2.0292940000e+00 -1.3597800000e-01  1.3953780000e+00  7.0013100000e-01  2.6113400000e-01
+ENERGY -1.526549050489e+02
+FORCES -5.4045000000e-03 -4.5600000000e-05  7.8630000000e-04  2.7362000000e-03 -2.8294000000e-03  4.0100000000e-04  1.7644000000e-03  3.3741000000e-03 -1.1315000000e-03  1.6748000000e-03 -2.9493000000e-03 -4.5148000000e-03 -3.5870000000e-04 -2.2693000000e-03  2.7275000000e-03 -4.1220000000e-04  4.7195000000e-03  1.7316000000e-03
+
+JOB 42
+COORDS  1.0229200000e-01 -1.3908250000e+00 -9.6632700000e-01  4.4148100000e-01 -2.2397760000e+00 -6.8266200000e-01  8.3310400000e-01 -9.8367800000e-01 -1.4314910000e+00 -1.4112900000e-01  1.4139020000e+00  1.0382810000e+00 -2.3921200000e-01  2.1719350000e+00  4.6208900000e-01 -3.9687700000e-01  6.6668200000e-01  4.9746000000e-01
+ENERGY -1.526587931720e+02
+FORCES  5.4338000000e-03 -4.3195000000e-03 -1.1780000000e-03 -1.2180000000e-03  3.5417000000e-03 -1.9011000000e-03 -3.7741000000e-03 -1.2951000000e-03  2.1908000000e-03 -2.1322000000e-03 -2.2172000000e-03 -4.7798000000e-03  8.0180000000e-04 -2.8625000000e-03  1.8478000000e-03  8.8870000000e-04  7.1526000000e-03  3.8204000000e-03
+
+JOB 43
+COORDS  7.3665800000e-01  6.2282600000e-01  1.5117920000e+00  9.0896100000e-01  1.3246150000e+00  8.8406900000e-01  8.8173000000e-02  6.7544000000e-02  1.0789400000e+00 -7.4993200000e-01 -6.1074500000e-01 -1.5072320000e+00 -1.0003740000e+00 -7.7244900000e-01 -5.9763700000e-01  1.8360600000e-01 -8.1972100000e-01 -1.5398960000e+00
+ENERGY -1.526526875894e+02
+FORCES -2.2896000000e-03  2.4754000000e-03 -4.8082000000e-03  2.9300000000e-05 -3.3348000000e-03  3.2466000000e-03  1.4620000000e-03 -4.6520000000e-04  7.1570000000e-04  2.4292000000e-03 -3.4927000000e-03  1.7933000000e-03  3.0836000000e-03  2.9939000000e-03 -1.6415000000e-03 -4.7145000000e-03  1.8234000000e-03  6.9410000000e-04
+
+JOB 44
+COORDS  1.3134640000e+00  8.4829500000e-01 -7.8234000000e-01  1.9811640000e+00  5.6677700000e-01 -1.4077640000e+00  4.9385900000e-01  8.1656600000e-01 -1.2757690000e+00 -1.3034980000e+00 -7.8479200000e-01  8.9004200000e-01 -9.5734100000e-01 -7.5630700000e-01 -1.9190000000e-03 -1.7116440000e+00 -1.6476500000e+00  9.6163100000e-01
+ENERGY -1.526526906434e+02
+FORCES  6.3060000000e-04  4.4120000000e-04 -4.6590000000e-03 -3.1103000000e-03  1.0924000000e-03  2.9107000000e-03  2.6470000000e-03 -2.2744000000e-03  2.9753000000e-03  1.3466000000e-03 -3.5453000000e-03 -2.8521000000e-03 -3.3412000000e-03  6.4720000000e-04  1.8767000000e-03  1.8272000000e-03  3.6388000000e-03 -2.5160000000e-04
+
+JOB 45
+COORDS  1.2813500000e-01  8.2515900000e-01 -1.5928180000e+00 -4.9847400000e-01  1.4933870000e+00 -1.3152110000e+00 -3.6936900000e-01  7.5930000000e-03 -1.5752930000e+00 -6.7975000000e-02 -8.8178700000e-01  1.5704530000e+00  6.4727800000e-01 -3.0650000000e-01  1.2989950000e+00 -7.2061400000e-01 -2.9175700000e-01  1.9474920000e+00
+ENERGY -1.526565619005e+02
+FORCES -5.4685000000e-03 -1.7114000000e-03  2.6950000000e-04  2.8681000000e-03 -2.5537000000e-03 -4.3940000000e-04  2.2397000000e-03  4.4071000000e-03 -1.0044000000e-03  1.6791000000e-03  5.3069000000e-03  5.0320000000e-04 -3.4850000000e-03 -3.1062000000e-03  2.6563000000e-03  2.1666000000e-03 -2.3428000000e-03 -1.9852000000e-03
+
+JOB 46
+COORDS -1.6271090000e+00 -4.1026900000e-01 -6.4924500000e-01 -1.2137160000e+00 -9.9642100000e-01 -1.2830930000e+00 -1.4035720000e+00  4.6907900000e-01 -9.5421800000e-01  1.6410430000e+00  4.5760800000e-01  6.9146900000e-01  1.8773350000e+00 -4.4085700000e-01  9.2203300000e-01  7.0221800000e-01  4.1948600000e-01  5.0874500000e-01
+ENERGY -1.526568584816e+02
+FORCES -4.2880000000e-04  4.5450000000e-04 -6.4507000000e-03 -1.4708000000e-03  2.7208000000e-03  3.5475000000e-03  5.9910000000e-04 -4.3599000000e-03  3.1776000000e-03 -4.2203000000e-03 -4.8263000000e-03  1.3123000000e-03 -2.1580000000e-04  3.5004000000e-03 -1.1686000000e-03  5.7365000000e-03  2.5105000000e-03 -4.1800000000e-04
+
+JOB 47
+COORDS  1.5622390000e+00 -8.8732800000e-01 -1.9715000000e-02  1.9467050000e+00 -1.7618800000e+00 -7.9527000000e-02  7.3888200000e-01 -9.5354200000e-01 -5.0337900000e-01 -1.5769280000e+00  8.8459400000e-01  2.4096000000e-02 -7.6171200000e-01  1.2312220000e+00 -3.3853800000e-01 -1.7317820000e+00  1.4084120000e+00  8.1014000000e-01
+ENERGY -1.526562762398e+02
+FORCES -2.5382000000e-03 -4.8683000000e-03 -1.5559000000e-03 -1.5600000000e-03  3.4194000000e-03  2.7520000000e-04  5.1382000000e-03  1.3704000000e-03  8.4480000000e-04  2.7949000000e-03  4.6643000000e-03  3.3902000000e-03 -3.8835000000e-03 -2.8755000000e-03  5.2690000000e-04  4.8600000000e-05 -1.7104000000e-03 -3.4812000000e-03
+
+JOB 48
+COORDS -1.3850100000e-01  1.3633690000e+00 -1.2275620000e+00 -4.7997700000e-01  1.9515920000e+00 -1.9010750000e+00 -1.9477800000e-01  4.9176500000e-01 -1.6191880000e+00  1.3131500000e-01 -1.3854300000e+00  1.2447270000e+00  5.3206500000e-01 -1.6365860000e+00  2.0769240000e+00  2.7222100000e-01 -4.4047900000e-01  1.1860230000e+00
+ENERGY -1.526572721994e+02
+FORCES -2.1285000000e-03 -8.4040000000e-04 -5.3301000000e-03  1.4365000000e-03 -2.5475000000e-03  2.4012000000e-03  4.0300000000e-04  4.5362000000e-03  1.7416000000e-03  2.0945000000e-03  3.6442000000e-03  3.3916000000e-03 -1.5930000000e-03  1.0355000000e-03 -3.1402000000e-03 -2.1240000000e-04 -5.8280000000e-03  9.3600000000e-04
+
+JOB 49
+COORDS  9.7056000000e-01  1.8835700000e-01  1.6409860000e+00  3.1595700000e-01  9.4772000000e-02  9.4891000000e-01  1.5847640000e+00 -5.2991300000e-01  1.4890870000e+00 -1.0019460000e+00 -1.0828000000e-01 -1.5469370000e+00 -1.3794080000e+00 -7.8104400000e-01 -2.1136310000e+00 -8.4031000000e-02 -5.7288000000e-02 -1.8135130000e+00
+ENERGY -1.526567043454e+02
+FORCES -1.9627000000e-03 -3.3658000000e-03 -3.2956000000e-03  5.5351000000e-03  7.2030000000e-04  4.0219000000e-03 -2.1012000000e-03  2.9205000000e-03  1.8930000000e-04  4.6910000000e-04 -2.4483000000e-03 -5.9713000000e-03  1.9664000000e-03  3.0526000000e-03  2.1798000000e-03 -3.9067000000e-03 -8.7940000000e-04  2.8759000000e-03
+
+JOB 50
+COORDS -4.4749400000e-01 -1.6712820000e+00  7.2734000000e-01 -2.5265800000e-01 -2.1558590000e+00  1.5294970000e+00  8.1846000000e-02 -8.7643700000e-01  7.9255600000e-01  4.1709500000e-01  1.7016300000e+00 -8.1638700000e-01 -4.1240500000e-01  1.4421430000e+00 -4.1535200000e-01  1.0694040000e+00  1.1321580000e+00 -4.0843300000e-01
+ENERGY -1.526527084282e+02
+FORCES  2.9878000000e-03 -1.9330000000e-04  4.2458000000e-03 -7.9890000000e-04  2.2058000000e-03 -3.7065000000e-03 -2.1768000000e-03 -1.6378000000e-03 -1.1009000000e-03 -1.2566000000e-03 -2.7263000000e-03  1.6920000000e-03  5.0145000000e-03  8.8510000000e-04 -8.5440000000e-04 -3.7701000000e-03  1.4664000000e-03 -2.7610000000e-04
+
+JOB 51
+COORDS  1.2659000000e-01  1.1322180000e+00  1.4973970000e+00  4.1919000000e-02  6.0651700000e-01  2.2928220000e+00  1.0182890000e+00  9.6433800000e-01  1.1925680000e+00 -1.4628100000e-01 -1.1103550000e+00 -1.5781140000e+00 -1.0418190000e+00 -1.2758110000e+00 -1.2833820000e+00  2.3078800000e-01 -5.5188600000e-01 -8.9828700000e-01
+ENERGY -1.526557772348e+02
+FORCES  3.7341000000e-03 -9.3890000000e-04  4.6968000000e-03  2.9290000000e-04  2.1961000000e-03 -3.9122000000e-03 -5.0062000000e-03 -6.2520000000e-04 -2.7340000000e-04 -3.4258000000e-03  2.9872000000e-03  4.7680000000e-03  3.4420000000e-03 -3.0900000000e-04 -1.7127000000e-03  9.6300000000e-04 -3.3102000000e-03 -3.5665000000e-03
+
+JOB 52
+COORDS  1.6160980000e+00  7.9164300000e-01 -4.9040700000e-01  1.4894000000e+00 -1.4857000000e-01 -6.1760700000e-01  2.4656030000e+00  9.7572300000e-01 -8.9126600000e-01 -1.6262340000e+00 -7.4031200000e-01  4.7306700000e-01 -1.2999630000e+00 -9.2206100000e-01  1.3543990000e+00 -2.5764680000e+00 -6.8689800000e-01  5.7521400000e-01
+ENERGY -1.526545154851e+02
+FORCES  1.6385000000e-03 -3.6285000000e-03 -2.6352000000e-03  2.3840000000e-03  3.9257000000e-03  8.8080000000e-04 -3.5499000000e-03 -6.2780000000e-04  1.6512000000e-03 -3.0392000000e-03  7.4800000000e-04  4.2649000000e-03 -1.2534000000e-03 -2.5000000000e-05 -3.8858000000e-03  3.8200000000e-03 -3.9230000000e-04 -2.7580000000e-04
+
+JOB 53
+COORDS  8.1929000000e-02  1.3147440000e+00  1.2613640000e+00 -5.5836000000e-02  9.1396700000e-01  2.1196370000e+00  3.3527500000e-01  2.2171090000e+00  1.4557470000e+00 -4.8904000000e-02 -1.3932990000e+00 -1.2990210000e+00 -4.0272000000e-01 -6.0269500000e-01 -8.9160300000e-01 -3.8061200000e-01 -1.3697600000e+00 -2.1965990000e+00
+ENERGY -1.526571061619e+02
+FORCES  1.5284000000e-03  2.6589000000e-03  5.2283000000e-03  3.2360000000e-04  2.0700000000e-03 -3.6329000000e-03 -1.1825000000e-03 -3.7370000000e-03 -4.2800000000e-04 -2.2562000000e-03  4.6526000000e-03 -8.1050000000e-04  3.1150000000e-04 -5.5637000000e-03 -3.6852000000e-03  1.2752000000e-03 -8.0900000000e-05  3.3283000000e-03
+
+JOB 54
+COORDS -9.6954500000e-01  4.4871500000e-01 -1.6485330000e+00 -7.5605200000e-01 -4.7329400000e-01 -1.5051740000e+00 -1.4013300000e-01  9.0954600000e-01 -1.5222710000e+00  8.8387500000e-01 -4.6305100000e-01  1.5869430000e+00  1.1094890000e+00 -6.7796200000e-01  2.4920090000e+00  1.1556280000e+00  4.4873100000e-01  1.4818950000e+00
+ENERGY -1.526550310313e+02
+FORCES  4.4686000000e-03 -3.0998000000e-03  2.3579000000e-03 -1.3773000000e-03  3.9061000000e-03 -2.1566000000e-03 -3.1097000000e-03 -8.3940000000e-04 -5.3180000000e-04  1.5940000000e-03  2.8973000000e-03  4.5268000000e-03 -8.7990000000e-04  1.0054000000e-03 -3.7830000000e-03 -6.9580000000e-04 -3.8697000000e-03 -4.1320000000e-04
+
+JOB 55
+COORDS  7.6148800000e-01  1.7881290000e+00 -1.0285500000e-01 -2.6458000000e-02  2.3310540000e+00 -7.8227000000e-02  6.1425500000e-01  1.1843660000e+00 -8.3088300000e-01 -6.6484300000e-01 -1.8281820000e+00  1.1246000000e-01 -1.2180470000e+00 -1.1359290000e+00 -2.4945400000e-01 -8.4782200000e-01 -1.8150910000e+00  1.0519170000e+00
+ENERGY -1.526539975965e+02
+FORCES -2.4882000000e-03 -5.6650000000e-04 -3.2337000000e-03  2.8279000000e-03 -2.8824000000e-03  9.0400000000e-05 -4.6640000000e-04  3.4371000000e-03  2.9040000000e-03 -2.6536000000e-03  2.9970000000e-03  3.8620000000e-03  2.6031000000e-03 -2.3468000000e-03  4.3650000000e-04  1.7720000000e-04 -6.3840000000e-04 -4.0592000000e-03
+
+JOB 56
+COORDS -1.7682910000e+00 -4.6096300000e-01  9.9416800000e-01 -8.6335000000e-01 -3.4475000000e-01  7.0467100000e-01 -2.0159670000e+00 -1.3255180000e+00  6.6639500000e-01  1.7229340000e+00  4.4916500000e-01 -9.2314800000e-01  2.1575000000e+00  5.2873700000e-01 -1.7722960000e+00  1.4598120000e+00  1.3429030000e+00 -7.0352900000e-01
+ENERGY -1.526566246769e+02
+FORCES  3.6489000000e-03 -3.4579000000e-03 -3.0421000000e-03 -5.1656000000e-03  2.6550000000e-04  2.3410000000e-03  4.9910000000e-04  3.2565000000e-03  1.4381000000e-03  2.0305000000e-03  4.3887000000e-03 -3.7032000000e-03 -1.6498000000e-03 -7.0700000000e-05  3.6022000000e-03  6.3680000000e-04 -4.3821000000e-03 -6.3600000000e-04
+
+JOB 57
+COORDS -1.2054820000e+00  9.3902800000e-01  1.3147310000e+00 -2.0101500000e+00  1.3752690000e+00  1.0346690000e+00 -7.9267700000e-01  1.5595190000e+00  1.9154110000e+00  1.2727980000e+00 -1.0216790000e+00 -1.3120670000e+00  3.9864300000e-01 -1.3831350000e+00 -1.1656640000e+00  1.1384160000e+00 -3.1852000000e-01 -1.9474740000e+00
+ENERGY -1.526545713230e+02
+FORCES -8.9900000000e-04  4.6070000000e-03  2.1603000000e-03  3.4103000000e-03 -2.0391000000e-03  7.0500000000e-04 -2.1534000000e-03 -2.3543000000e-03 -2.4376000000e-03 -5.1113000000e-03  2.1587000000e-03 -5.1620000000e-04  3.8554000000e-03  4.9560000000e-04 -1.8001000000e-03  8.9800000000e-04 -2.8678000000e-03  1.8886000000e-03
+
+JOB 58
+COORDS -1.4618300000e-01  2.0572230000e+00  4.3670400000e-01  6.7982300000e-01  1.8262750000e+00  8.6168600000e-01  5.0815000000e-02  2.0333300000e+00 -4.9970000000e-01  1.4131900000e-01 -2.0145190000e+00 -4.4573000000e-01 -3.4380100000e-01 -1.6059240000e+00  2.7116700000e-01 -2.2121400000e-01 -2.8982320000e+00 -5.0781300000e-01
+ENERGY -1.526558921880e+02
+FORCES  4.7245000000e-03 -5.4820000000e-04 -2.8737000000e-03 -3.7640000000e-03  8.0340000000e-04 -1.3100000000e-03 -1.0120000000e-03  6.1880000000e-04  4.1241000000e-03 -4.0028000000e-03 -1.8830000000e-03  2.7484000000e-03  2.6154000000e-03 -2.5498000000e-03 -2.9816000000e-03  1.4389000000e-03  3.5588000000e-03  2.9270000000e-04
+
+JOB 59
+COORDS -2.8966200000e-01 -5.9945300000e-01  2.0892610000e+00  5.3130200000e-01 -1.0981400000e-01  2.0392280000e+00 -5.9582700000e-01 -4.6364300000e-01  2.9859500000e+00  2.5588000000e-01  5.9438900000e-01 -2.0923050000e+00  1.7075500000e-01  9.0186500000e-01 -2.9947700000e+00  3.8449900000e-01 -3.5078300000e-01 -2.1719210000e+00
+ENERGY -1.526543312566e+02
+FORCES  2.0219000000e-03  3.3403000000e-03  2.9216000000e-03 -3.1481000000e-03 -2.5646000000e-03  8.3830000000e-04  1.2241000000e-03 -6.2780000000e-04 -3.5485000000e-03 -4.5660000000e-04 -3.0637000000e-03 -3.7397000000e-03  3.7240000000e-04 -1.1892000000e-03  3.6637000000e-03 -1.3800000000e-05  4.1050000000e-03 -1.3540000000e-04
+
+JOB 60
+COORDS  1.2774600000e-01  4.6061900000e-01 -2.2750460000e+00  4.6776400000e-01  1.0468840000e+00 -1.5990920000e+00 -6.7773000000e-02 -3.5323400000e-01 -1.8106680000e+00 -1.6983900000e-01 -4.0957100000e-01  2.1694180000e+00  7.7427600000e-01 -4.8117500000e-01  2.3099620000e+00 -5.4816200000e-01 -1.0851610000e+00  2.7321640000e+00
+ENERGY -1.526554198411e+02
+FORCES -1.6970000000e-04 -8.6650000000e-04  5.6635000000e-03 -6.7430000000e-04 -2.0502000000e-03 -3.3297000000e-03  1.1688000000e-03  2.9044000000e-03 -2.8472000000e-03  1.8865000000e-03 -3.1334000000e-03  4.0999000000e-03 -3.9631000000e-03  3.7440000000e-04 -1.1774000000e-03  1.7517000000e-03  2.7713000000e-03 -2.4091000000e-03
+
+JOB 61
+COORDS  3.8149200000e-01 -1.4105850000e+00 -1.6649850000e+00 -6.5894000000e-02 -2.2540690000e+00 -1.7328970000e+00  1.2853860000e+00 -1.5972440000e+00 -1.9186910000e+00 -4.0949200000e-01  1.4885010000e+00  1.7519490000e+00  1.5431300000e-01  8.2406400000e-01  1.3558690000e+00 -9.3883200000e-01  1.8179990000e+00  1.0256820000e+00
+ENERGY -1.526559871653e+02
+FORCES  1.7504000000e-03 -4.8939000000e-03 -2.1006000000e-03  2.0037000000e-03  3.5414000000e-03  2.3560000000e-04 -3.7936000000e-03  8.4840000000e-04  1.2835000000e-03  1.5550000000e-04 -2.0420000000e-03 -5.4694000000e-03 -1.9170000000e-03  3.2602000000e-03  2.7636000000e-03  1.8010000000e-03 -7.1410000000e-04  3.2873000000e-03
+
+JOB 62
+COORDS  4.2165500000e-01 -2.3189730000e+00 -3.9322500000e-01  1.8776200000e-01 -1.4103450000e+00 -2.0369800000e-01 -2.3736600000e-01 -2.6099640000e+00 -1.0235000000e+00 -3.3022200000e-01  2.2276400000e+00  4.1475900000e-01 -3.4891100000e-01  2.9441530000e+00  1.0491820000e+00 -1.0295860000e+00  2.4369770000e+00 -2.0435300000e-01
+ENERGY -1.526553769018e+02
+FORCES -3.3361000000e-03  3.3270000000e-03 -1.3499000000e-03  6.8730000000e-04 -4.9986000000e-03 -1.3258000000e-03  2.5136000000e-03  1.0776000000e-03  2.3905000000e-03 -2.6096000000e-03  4.7980000000e-03  5.8380000000e-04 -1.1150000000e-04 -2.8300000000e-03 -2.8105000000e-03  2.8564000000e-03 -1.3740000000e-03  2.5118000000e-03
+
+JOB 63
+COORDS -5.0160700000e-01  6.7899400000e-01  2.3578040000e+00 -3.1087200000e-01 -6.6390000000e-02  1.7883700000e+00 -9.8802700000e-01  1.2875600000e+00  1.8016780000e+00  4.8335100000e-01 -6.1536500000e-01 -2.2723440000e+00  1.2284330000e+00 -6.2117900000e-01 -2.8732200000e+00  2.9885200000e-01 -1.5404570000e+00 -2.1098690000e+00
+ENERGY -1.526550406116e+02
+FORCES -8.8020000000e-04 -3.2240000000e-04 -5.4358000000e-03 -9.6590000000e-04  2.4867000000e-03  3.0184000000e-03  1.6536000000e-03 -2.2927000000e-03  2.7560000000e-03  2.7179000000e-03 -3.7344000000e-03 -2.6476000000e-03 -3.1762000000e-03 -1.1800000000e-04  2.4499000000e-03  6.5070000000e-04  3.9808000000e-03 -1.4090000000e-04
+
+JOB 64
+COORDS  1.8035720000e+00  1.1324450000e+00 -1.3182990000e+00  9.8950300000e-01  9.7979800000e-01 -8.3848400000e-01  1.5803150000e+00  9.5552400000e-01 -2.2321300000e+00 -1.7964450000e+00 -1.0703360000e+00  1.3265400000e+00 -1.2354770000e+00 -9.6882600000e-01  2.0954620000e+00 -1.5141800000e+00 -1.8948850000e+00  9.3071600000e-01
+ENERGY -1.526551609770e+02
+FORCES -4.7074000000e-03 -1.0434000000e-03 -1.7515000000e-03  4.0887000000e-03  5.7430000000e-04 -2.0749000000e-03  1.0594000000e-03  5.9910000000e-04  3.6127000000e-03  2.8467000000e-03 -3.6441000000e-03  2.3799000000e-03 -2.2412000000e-03 -2.2970000000e-04 -3.5284000000e-03 -1.0462000000e-03  3.7438000000e-03  1.3622000000e-03
+
+JOB 65
+COORDS -1.3931300000e-01  2.2244890000e+00  1.2246770000e+00 -7.1173200000e-01  2.2160400000e+00  4.5754100000e-01  2.1335400000e-01  1.3358190000e+00  1.2707590000e+00  1.9269200000e-01 -2.1812670000e+00 -1.2306590000e+00  3.1768100000e-01 -2.0243690000e+00 -2.9471500000e-01 -7.5696400000e-01 -2.2267130000e+00 -1.3416580000e+00
+ENERGY -1.526536827160e+02
+FORCES -5.1300000000e-04 -3.2579000000e-03 -3.4286000000e-03  2.1237000000e-03 -9.1500000000e-05  3.4603000000e-03 -1.7380000000e-03  3.1532000000e-03  1.2730000000e-04 -3.3474000000e-03 -6.9860000000e-04  3.0603000000e-03 -5.9410000000e-04  2.8590000000e-04 -3.8135000000e-03  4.0688000000e-03  6.0890000000e-04  5.9420000000e-04
+
+JOB 66
+COORDS  1.7131540000e+00 -1.8085430000e+00 -3.8855500000e-01  1.0506620000e+00 -1.2530440000e+00 -7.9935700000e-01  2.5377250000e+00 -1.3435710000e+00 -5.3038700000e-01 -1.7148500000e+00  1.7668630000e+00  3.5207300000e-01 -1.3196050000e+00  2.2208810000e+00  1.0963050000e+00 -2.2198420000e+00  1.0553210000e+00  7.4567700000e-01
+ENERGY -1.526551658517e+02
+FORCES  4.6310000000e-04  4.5136000000e-03 -2.5126000000e-03  2.9598000000e-03 -2.8759000000e-03  1.7522000000e-03 -3.1625000000e-03 -1.9666000000e-03  6.6990000000e-04 -9.2470000000e-04 -7.3960000000e-04  5.1321000000e-03 -1.5567000000e-03 -1.8454000000e-03 -3.1902000000e-03  2.2209000000e-03  2.9138000000e-03 -1.8514000000e-03
+
+JOB 67
+COORDS  8.0240500000e-01 -1.5392880000e+00  1.8053200000e+00  1.0747700000e+00 -2.2884810000e+00  1.2754520000e+00 -1.3410500000e-01 -1.6750270000e+00  1.9493890000e+00 -8.1092000000e-01  1.5802580000e+00 -1.7340070000e+00 -3.0453700000e-01  2.3775700000e+00 -1.8892560000e+00 -5.0433700000e-01  9.6731500000e-01 -2.4022430000e+00
+ENERGY -1.526539210493e+02
+FORCES -3.2025000000e-03 -3.0844000000e-03 -1.7863000000e-03 -9.4620000000e-04  2.9669000000e-03  2.0678000000e-03  3.9784000000e-03  1.1170000000e-04 -3.0970000000e-04  3.8465000000e-03  7.9820000000e-04 -2.9131000000e-03 -2.2224000000e-03 -3.1618000000e-03  3.9230000000e-04 -1.4539000000e-03  2.3693000000e-03  2.5491000000e-03
+
+JOB 68
+COORDS -9.9197800000e-01 -1.4628870000e+00 -1.8706640000e+00 -8.9844900000e-01 -1.0777700000e+00 -2.7419670000e+00 -4.7369600000e-01 -8.9506600000e-01 -1.3004060000e+00  9.4762000000e-01  1.4208910000e+00  1.8185880000e+00  1.7615820000e+00  1.3790520000e+00  2.3205330000e+00  2.6088700000e-01  1.2354850000e+00  2.4590990000e+00
+ENERGY -1.526554161500e+02
+FORCES  2.7773000000e-03  4.2769000000e-03 -8.8300000000e-04 -4.4780000000e-04 -1.6587000000e-03  3.3107000000e-03 -2.5280000000e-03 -2.9107000000e-03 -2.8181000000e-03  6.8190000000e-04 -5.9020000000e-04  5.2524000000e-03 -3.3946000000e-03  1.7950000000e-04 -2.0679000000e-03  2.9112000000e-03  7.0320000000e-04 -2.7940000000e-03
+
+JOB 69
+COORDS  1.6113620000e+00 -3.2012700000e-01 -1.9794770000e+00  1.6545540000e+00 -1.2736090000e+00 -1.9070960000e+00  2.3101120000e+00 -4.0700000000e-03 -1.4066870000e+00 -1.6397080000e+00  3.8318100000e-01  1.9905940000e+00 -1.3005200000e+00  5.7734900000e-01  1.1168200000e+00 -2.2297370000e+00 -3.5905700000e-01  1.8595140000e+00
+ENERGY -1.526550328954e+02
+FORCES  3.8096000000e-03 -2.7169000000e-03  2.2163000000e-03 -4.4250000000e-04  3.9886000000e-03 -2.0200000000e-04 -3.1460000000e-03 -1.2999000000e-03 -2.3403000000e-03 -1.0747000000e-03 -2.0254000000e-03 -4.5283000000e-03 -1.5258000000e-03 -8.0820000000e-04  4.1733000000e-03  2.3794000000e-03  2.8618000000e-03  6.8110000000e-04
+
+JOB 70
+COORDS -9.3612700000e-01  8.0152000000e-02  2.4586410000e+00 -2.7949500000e-01  6.5168700000e-01  2.8566530000e+00 -6.1101900000e-01 -7.8091000000e-02  1.5723590000e+00  8.8487100000e-01 -6.0999000000e-02 -2.3784390000e+00  1.3290380000e+00 -7.1718000000e-02 -3.2262790000e+00  3.0828900000e-01 -8.2475600000e-01 -2.3999000000e+00
+ENERGY -1.526549809911e+02
+FORCES  4.3045000000e-03  2.0466000000e-03 -2.3772000000e-03 -2.7211000000e-03 -2.3315000000e-03 -1.2882000000e-03 -1.7617000000e-03  1.3480000000e-04  3.9293000000e-03 -3.3350000000e-04 -3.0424000000e-03 -4.3096000000e-03 -1.8673000000e-03 -4.3300000000e-05  3.4581000000e-03  2.3791000000e-03  3.2358000000e-03  5.8760000000e-04
+
+JOB 71
+COORDS -1.2707290000e+00 -8.0757000000e-02  2.2209560000e+00 -1.7396200000e+00 -8.8670100000e-01  2.4373540000e+00 -1.4873170000e+00  5.2140900000e-01  2.9327970000e+00  1.3126320000e+00  3.2964000000e-02 -2.2410270000e+00  1.0814070000e+00  2.4320900000e-01 -3.1457720000e+00  1.4179460000e+00  8.8424500000e-01 -1.8162200000e+00
+ENERGY -1.526538620461e+02
+FORCES -2.7621000000e-03 -1.3295000000e-03  3.6077000000e-03  1.7874000000e-03  3.4277000000e-03 -6.6950000000e-04  9.5230000000e-04 -2.3118000000e-03 -3.0011000000e-03 -9.1990000000e-04  4.4316000000e-03 -1.2505000000e-03  9.7640000000e-04 -9.2180000000e-04  3.5583000000e-03 -3.4100000000e-05 -3.2963000000e-03 -2.2450000000e-03
+
+JOB 72
+COORDS -1.1864350000e+00  7.6133500000e-01 -2.2676950000e+00 -2.7357700000e-01  5.9541600000e-01 -2.0323370000e+00 -1.4423450000e+00 -2.3700000000e-04 -2.7880310000e+00  1.1192670000e+00 -6.9312700000e-01  2.2330710000e+00  1.2232150000e+00 -1.6124200000e+00  2.4786880000e+00  1.6790300000e+00 -2.1623400000e-01  2.8458260000e+00
+ENERGY -1.526543434339e+02
+FORCES  2.8981000000e-03 -3.9344000000e-03 -3.2580000000e-04 -3.7485000000e-03  8.4500000000e-04 -1.7592000000e-03  9.4440000000e-04  3.0611000000e-03  1.8984000000e-03  2.4512000000e-03 -1.6794000000e-03  3.9349000000e-03 -3.4110000000e-04  3.7444000000e-03 -1.1588000000e-03 -2.2040000000e-03 -2.0368000000e-03 -2.5894000000e-03
+
+JOB 73
+COORDS  1.9872140000e+00  1.4106580000e+00 -1.3737900000e+00  1.6583600000e+00  2.3091940000e+00 -1.3469630000e+00  2.4128080000e+00  1.2854420000e+00 -5.2560200000e-01 -1.9594190000e+00 -1.4538560000e+00  1.3768090000e+00 -2.6415210000e+00 -2.0765970000e+00  1.1254860000e+00 -1.9705780000e+00 -7.9323900000e-01  6.8421200000e-01
+ENERGY -1.526545084309e+02
+FORCES  8.4910000000e-04  3.0891000000e-03  3.7020000000e-03  1.1142000000e-03 -3.7440000000e-03 -1.4260000000e-04 -1.7903000000e-03  6.7370000000e-04 -3.6108000000e-03 -2.6212000000e-03  4.0000000000e-05 -4.1990000000e-03  2.6839000000e-03  2.5321000000e-03  1.0962000000e-03 -2.3570000000e-04 -2.5909000000e-03  3.1542000000e-03
+
+JOB 74
+COORDS  4.4038400000e-01 -2.7045750000e+00  5.8679000000e-01  7.5641300000e-01 -3.2583340000e+00 -1.2715000000e-01  1.1396370000e+00 -2.0650550000e+00  7.2203900000e-01 -5.5140500000e-01  2.6897610000e+00 -6.0544300000e-01  3.1057900000e-01  2.2736600000e+00 -5.9686500000e-01 -5.4551400000e-01  3.2697310000e+00  1.5602500000e-01
+ENERGY -1.526535728317e+02
+FORCES  3.9041000000e-03  2.0670000000e-04 -2.4909000000e-03 -1.2069000000e-03  2.3075000000e-03  2.9923000000e-03 -2.7545000000e-03 -2.3684000000e-03 -5.4990000000e-04  3.2486000000e-03  5.4840000000e-04  3.2607000000e-03 -3.2733000000e-03  1.6495000000e-03 -4.5500000000e-05  8.2100000000e-05 -2.3437000000e-03 -3.1667000000e-03
+
+JOB 75
+COORDS  8.4446500000e-01  1.3538800000e-01 -2.8320650000e+00  4.0802000000e-02  3.4886700000e-01 -3.3061780000e+00  7.1453900000e-01  5.0748000000e-01 -1.9597700000e+00 -7.3237900000e-01 -1.7851100000e-01  2.7832160000e+00 -1.3800430000e+00  4.7572500000e-01  2.5210350000e+00 -1.1343280000e+00 -6.3015900000e-01  3.5252960000e+00
+ENERGY -1.526541657013e+02
+FORCES -3.6687000000e-03  2.1415000000e-03  2.0200000000e-03  3.2025000000e-03 -8.0330000000e-04  1.8732000000e-03  3.9430000000e-04 -1.2147000000e-03 -3.9513000000e-03 -4.2876000000e-03  5.2960000000e-04  2.4038000000e-03  2.7681000000e-03 -2.6016000000e-03  7.1010000000e-04  1.5915000000e-03  1.9486000000e-03 -3.0557000000e-03
+
+JOB 76
+COORDS  2.2141980000e+00  1.7066870000e+00 -1.0934990000e+00  2.0549600000e+00  2.6477280000e+00 -1.0205930000e+00  2.5046140000e+00  1.4440520000e+00 -2.2005000000e-01 -2.2678130000e+00 -1.7645030000e+00  1.0029610000e+00 -1.6670200000e+00 -1.0371020000e+00  8.4119700000e-01 -2.0174240000e+00 -2.0952770000e+00  1.8655890000e+00
+ENERGY -1.526540608351e+02
+FORCES  9.7990000000e-04  3.0487000000e-03  3.5196000000e-03  5.7140000000e-04 -3.9809000000e-03 -1.8340000000e-04 -1.5531000000e-03  9.2190000000e-04 -3.4598000000e-03  3.5539000000e-03  1.6134000000e-03  2.5014000000e-03 -2.5629000000e-03 -2.9993000000e-03  1.0705000000e-03 -9.8920000000e-04  1.3964000000e-03 -3.4483000000e-03
+
+JOB 77
+COORDS -1.2547470000e+00  7.3036600000e-01  2.8388880000e+00 -1.9355420000e+00  9.8748900000e-01  3.4606910000e+00 -4.7154900000e-01  6.1135700000e-01  3.3761680000e+00  1.2834220000e+00 -7.2411000000e-01 -2.9548670000e+00  1.5195850000e+00 -6.6148600000e-01 -2.0293750000e+00  3.8365900000e-01 -1.0506780000e+00 -2.9513820000e+00
+ENERGY -1.526544965550e+02
+FORCES  2.4460000000e-04  7.6370000000e-04  4.9225000000e-03  2.8165000000e-03 -1.0916000000e-03 -2.5245000000e-03 -3.1363000000e-03  3.9060000000e-04 -2.3354000000e-03 -2.9732000000e-03 -8.7750000000e-04  4.0272000000e-03 -6.6800000000e-04 -3.7350000000e-04 -3.8608000000e-03  3.7165000000e-03  1.1883000000e-03 -2.2910000000e-04
+
+JOB 78
+COORDS  2.9369850000e+00  1.7364640000e+00  1.2731060000e+00  3.5375340000e+00  2.4504350000e+00  1.0590530000e+00  2.1619990000e+00  2.1727210000e+00  1.6270970000e+00 -2.9171620000e+00 -1.7574700000e+00 -1.3314000000e+00 -2.7950060000e+00 -1.6698870000e+00 -3.8607500000e-01 -3.2223360000e+00 -2.6567130000e+00 -1.4516540000e+00
+ENERGY -1.526540443950e+02
+FORCES -7.3420000000e-04  4.7377000000e-03  3.7140000000e-04 -2.4217000000e-03 -2.9090000000e-03  9.3510000000e-04  3.1495000000e-03 -1.8292000000e-03 -1.3256000000e-03 -5.1850000000e-04 -3.3805000000e-03  3.3661000000e-03 -6.4750000000e-04 -2.9220000000e-04 -3.8269000000e-03  1.1724000000e-03  3.6731000000e-03  4.7990000000e-04
+
+JOB 79
+COORDS  3.5337110000e+00 -1.9813490000e+00 -6.1658200000e-01  3.8797330000e+00 -1.2181230000e+00 -1.0791690000e+00  3.0216510000e+00 -1.6136200000e+00  1.0369800000e-01 -3.4780990000e+00  1.9720180000e+00  5.7417600000e-01 -3.3109520000e+00  1.0576620000e+00  8.0275000000e-01 -4.3940040000e+00  2.1153950000e+00  8.1249000000e-01
+ENERGY -1.526541872946e+02
+FORCES -6.5460000000e-04  4.7185000000e-03  9.9890000000e-04 -1.3785000000e-03 -3.1577000000e-03  1.8956000000e-03  2.0424000000e-03 -1.5850000000e-03 -2.8941000000e-03 -3.2085000000e-03 -3.1397000000e-03  1.8537000000e-03 -5.6060000000e-04  3.7512000000e-03 -8.9810000000e-04  3.7598000000e-03 -5.8730000000e-04 -9.5590000000e-04
+
+JOB 80
+COORDS -1.5111820000e+00 -3.6517200000e+00 -1.6525880000e+00 -2.3081920000e+00 -3.1917460000e+00 -1.3890900000e+00 -1.7007180000e+00 -3.9749720000e+00 -2.5333930000e+00  1.5026600000e+00  3.6367170000e+00  1.6847040000e+00  2.0771200000e+00  3.9406840000e+00  2.3874340000e+00  2.0921790000e+00  3.4639010000e+00  9.5065100000e-01
+ENERGY -1.526541139072e+02
+FORCES -4.0605000000e-03  6.5020000000e-04 -2.4373000000e-03  3.2376000000e-03 -1.9507000000e-03 -1.1288000000e-03  8.0020000000e-04  1.2992000000e-03  3.5691000000e-03  4.7799000000e-03  3.9600000000e-04 -1.3920000000e-04 -2.3516000000e-03 -1.1939000000e-03 -2.8556000000e-03 -2.4055000000e-03  7.9920000000e-04  2.9918000000e-03
+
+JOB 81
+COORDS  1.4681900000e-01  2.5426580000e+00  3.6514930000e+00 -4.6378500000e-01  2.7246770000e+00  2.9371650000e+00  8.5034900000e-01  3.1810630000e+00  3.5343760000e+00 -1.2118500000e-01 -2.5868480000e+00 -3.5352020000e+00 -9.0483300000e-01 -2.1410050000e+00 -3.8566860000e+00  1.9562900000e-01 -3.0873870000e+00 -4.2870810000e+00
+ENERGY -1.526540139018e+02
+FORCES  4.3680000000e-04  3.2130000000e-03 -3.5003000000e-03  2.4407000000e-03 -6.5740000000e-04  2.9602000000e-03 -2.8841000000e-03 -2.5493000000e-03  5.1990000000e-04 -1.9034000000e-03 -3.1480000000e-04 -4.3552000000e-03  3.2049000000e-03 -1.7617000000e-03  1.3168000000e-03 -1.2949000000e-03  2.0702000000e-03  3.0586000000e-03
+
+JOB 82
+COORDS  1.4304980000e+00 -3.3442110000e+00  2.9329800000e+00  1.2650240000e+00 -3.6592970000e+00  2.0444010000e+00  7.5783200000e-01 -2.6795150000e+00  3.0810680000e+00 -1.3865140000e+00  3.2667500000e+00 -2.8683940000e+00 -2.1064910000e+00  3.7447040000e+00 -3.2800070000e+00 -6.3588200000e-01  3.8565650000e+00 -2.9384060000e+00
+ENERGY -1.526542574177e+02
+FORCES -3.4566000000e-03  1.5116000000e-03 -3.1068000000e-03  7.0590000000e-04  1.2114000000e-03  3.6510000000e-03  2.7547000000e-03 -2.7475000000e-03 -5.2410000000e-04  1.3420000000e-04  4.4157000000e-03 -2.0119000000e-03  2.9322000000e-03 -1.9653000000e-03  1.6920000000e-03 -3.0703000000e-03 -2.4260000000e-03  2.9980000000e-04
+
+JOB 83
+COORDS -7.3425100000e-01 -4.4771840000e+00 -7.6588800000e-01 -1.0281490000e+00 -5.3078600000e+00 -3.9194500000e-01  1.2361900000e-01 -4.6736220000e+00 -1.1423230000e+00  7.2706500000e-01  4.5598540000e+00  7.0847200000e-01  7.6575700000e-01  4.9376340000e+00  1.5871170000e+00  2.2563600000e-01  3.7517000000e+00  8.1658100000e-01
+ENERGY -1.526541878128e+02
+FORCES  2.3118000000e-03 -4.2304000000e-03 -8.7900000000e-05  1.1959000000e-03  3.4045000000e-03 -1.4980000000e-03 -3.5078000000e-03  8.0490000000e-04  1.5715000000e-03 -1.9418000000e-03 -1.8530000000e-03  3.9859000000e-03 -1.3410000000e-04 -1.5031000000e-03 -3.5662000000e-03  2.0762000000e-03  3.3771000000e-03 -4.0530000000e-04
+
+JOB 84
+COORDS -3.9183210000e+00 -3.1485280000e+00 -1.3324550000e+00 -3.9443060000e+00 -2.2459730000e+00 -1.6501820000e+00 -3.3023230000e+00 -3.5909050000e+00 -1.9164760000e+00  3.9094540000e+00  3.1741500000e+00  1.3634320000e+00  3.5565600000e+00  2.4608780000e+00  8.3151100000e-01  3.8285390000e+00  2.8637010000e+00  2.2652670000e+00
+ENERGY -1.526540779445e+02
+FORCES  2.3083000000e-03  1.8484000000e-03 -3.7396000000e-03  1.6150000000e-04 -3.6806000000e-03  1.3302000000e-03 -2.4709000000e-03  1.8275000000e-03  2.4182000000e-03 -1.7538000000e-03 -4.1764000000e-03  1.5698000000e-03  1.4233000000e-03  2.9121000000e-03  2.1232000000e-03  3.3160000000e-04  1.2690000000e-03 -3.7018000000e-03
+
+JOB 85
+COORDS  2.2431060000e+00 -3.5262160000e+00 -3.0757140000e+00  2.2735380000e+00 -3.1173460000e+00 -3.9406600000e+00  3.0653590000e+00 -3.2680860000e+00 -2.6591790000e+00 -2.2455760000e+00  3.5353610000e+00  3.1070220000e+00 -3.0772590000e+00  3.6220700000e+00  2.6411710000e+00 -2.2348500000e+00  2.6281520000e+00  3.4121250000e+00
+ENERGY -1.526541529626e+02
+FORCES  3.5110000000e-03  2.7414000000e-03 -1.8372000000e-03 -1.3980000000e-04 -1.6780000000e-03  3.5243000000e-03 -3.3637000000e-03 -1.0694000000e-03 -1.6948000000e-03 -3.3551000000e-03 -3.3964000000e-03 -6.7320000000e-04  3.3877000000e-03 -3.2430000000e-04  1.9028000000e-03 -4.0100000000e-05  3.7268000000e-03 -1.2220000000e-03
+
+JOB 86
+COORDS  3.6008210000e+00  4.0288320000e+00  2.7202800000e-01  4.1689110000e+00  4.6993340000e+00 -1.0735800000e-01  4.0401280000e+00  3.2018330000e+00  7.3752000000e-02 -3.7019220000e+00 -3.9772480000e+00 -2.4905000000e-01 -3.7573850000e+00 -4.5970040000e+00  4.7831300000e-01 -2.8864390000e+00 -4.2041100000e+00 -6.9598800000e-01
+ENERGY -1.526540087534e+02
+FORCES  4.0764000000e-03 -6.2050000000e-04 -2.3691000000e-03 -2.3071000000e-03 -2.7441000000e-03  1.5530000000e-03 -1.7782000000e-03  3.3585000000e-03  8.1500000000e-04  3.1065000000e-03 -3.4023000000e-03  1.1719000000e-03  2.2550000000e-04  2.5086000000e-03 -2.9800000000e-03 -3.3232000000e-03  8.9970000000e-04  1.8092000000e-03
+
+JOB 87
+COORDS -3.3206860000e+00  4.0687080000e+00 -3.9478120000e+00 -2.7038980000e+00  4.7644920000e+00 -4.1751640000e+00 -3.2912560000e+00  3.4689060000e+00 -4.6932000000e+00  3.2781760000e+00 -4.0925900000e+00  3.9418760000e+00  3.6784790000e+00 -3.2970220000e+00  4.2926780000e+00  2.9505050000e+00 -4.5562660000e+00  4.7125040000e+00
+ENERGY -1.526540777100e+02
+FORCES  2.6538000000e-03  3.5440000000e-04 -3.9637000000e-03 -2.5219000000e-03 -2.8216000000e-03  9.2920000000e-04 -1.3070000000e-04  2.4656000000e-03  3.0319000000e-03  2.6120000000e-04  1.3739000000e-03  4.5751000000e-03 -1.6129000000e-03 -3.2535000000e-03 -1.4309000000e-03  1.3505000000e-03  1.8812000000e-03 -3.1416000000e-03
+
+JOB 88
+COORDS -1.0266120000e+00 -1.6891580000e+00 -7.7645660000e+00 -1.6560400000e+00 -2.3907940000e+00 -7.9311800000e+00 -8.4497100000e-01 -1.7474480000e+00 -6.8265670000e+00  1.0079630000e+00  1.7822480000e+00  7.6826100000e+00  1.0309340000e+00  8.3589900000e-01  7.5407420000e+00  1.6679020000e+00  1.9397860000e+00  8.3578100000e+00
+ENERGY -1.526540717910e+02
+FORCES -1.8348000000e-03 -3.0819000000e-03  3.1554000000e-03  2.5713000000e-03  2.8552000000e-03  6.7640000000e-04 -7.3610000000e-04  2.2510000000e-04 -3.8312000000e-03  2.7934000000e-03 -3.2034000000e-03  2.1891000000e-03 -9.9200000000e-05  3.8545000000e-03  5.6790000000e-04 -2.6945000000e-03 -6.4950000000e-04 -2.7577000000e-03
+
+JOB 89
+COORDS  9.1992940000e+00  1.1484700000e-01  5.0740320000e+00  9.7030850000e+00 -3.9801600000e-01  4.4420530000e+00  8.3299120000e+00 -2.8563500000e-01  5.0694770000e+00 -9.2074230000e+00 -1.5188000000e-02 -5.0081340000e+00 -8.6973680000e+00 -7.4556800000e-01 -4.6579620000e+00 -9.2300850000e+00 -1.6929800000e-01 -5.9525740000e+00
+ENERGY -1.526540655612e+02
+FORCES -1.4922000000e-03 -3.7211000000e-03 -2.5933000000e-03 -2.0559000000e-03  2.0903000000e-03  2.5767000000e-03  3.5476000000e-03  1.6306000000e-03  1.6100000000e-05  1.9810000000e-03 -3.6044000000e-03 -2.4271000000e-03 -2.0765000000e-03  2.9783000000e-03 -1.4269000000e-03  9.6000000000e-05  6.2640000000e-04  3.8545000000e-03
+
+JOB 0
+COORDS -3.9983800000e-01  1.2039260000e+00 -1.6005300000e-01 -2.0214500000e-01  2.8712600000e-01  3.1330000000e-02 -6.7229000000e-02  1.6844610000e+00  5.9803000000e-01  4.2252200000e-01 -1.1223420000e+00  1.2652100000e-01 -5.0045000000e-02 -1.6997660000e+00  7.2609900000e-01  1.4974600000e-01 -1.4069790000e+00 -7.4572100000e-01
+ENERGY -1.526531255853e+02
+FORCES  1.1907700000e-02 -2.7281000000e-02  6.1902000000e-03 -5.2096000000e-03  4.0529000000e-03 -4.9866000000e-03 -6.4910000000e-04 -2.8750000000e-03 -7.8860000000e-04 -7.0692000000e-03  1.6781100000e-02 -3.4144000000e-03  1.7010000000e-03  5.1174000000e-03 -4.0043000000e-03 -6.8080000000e-04  4.2048000000e-03  7.0038000000e-03
+
+JOB 1
+COORDS  4.2056000000e-02  1.1983630000e+00 -3.0109200000e-01  4.0866700000e-01  1.0764060000e+00  5.7466800000e-01 -8.2764000000e-02  2.1441510000e+00 -3.7943600000e-01 -1.5100000000e-02 -1.2822370000e+00  2.4372800000e-01 -7.8323900000e-01 -1.4060250000e+00  8.0128600000e-01 -4.0571000000e-02 -3.5636200000e-01  2.1940000000e-03
+ENERGY -1.526495783044e+02
+FORCES -1.6449000000e-03 -1.3222500000e-02  1.8538000000e-03 -6.5035000000e-03 -7.3273000000e-03 -7.8897000000e-03  1.9848000000e-03 -4.6743000000e-03  2.9274000000e-03 -4.6853000000e-03  1.4877100000e-02 -7.5184000000e-03  2.7331000000e-03  2.2021000000e-03 -1.0437000000e-03  8.1158000000e-03  8.1449000000e-03  1.1670600000e-02
+
+JOB 2
+COORDS  1.0853050000e+00  6.9782600000e-01 -3.2808300000e-01  2.9883700000e-01  1.0022000000e+00  1.2474900000e-01  9.3341900000e-01 -2.3633900000e-01 -4.7125600000e-01 -1.0430440000e+00 -6.2005800000e-01  3.7247400000e-01 -1.1329570000e+00 -3.8477300000e-01 -5.5099200000e-01 -7.8630600000e-01 -1.5421170000e+00  3.6130400000e-01
+ENERGY -1.526488070417e+02
+FORCES -1.5214900000e-02 -1.0744400000e-02  1.0518100000e-02 -3.7380000000e-04  3.6300000000e-03 -4.3884000000e-03 -5.8730000000e-04 -2.2837000000e-03 -4.3908000000e-03  9.9948000000e-03  3.2481000000e-03 -5.0936000000e-03  4.7121000000e-03  5.6830000000e-04  5.1881000000e-03  1.4691000000e-03  5.5818000000e-03 -1.8335000000e-03
+
+JOB 3
+COORDS  2.6660500000e-01 -2.3224100000e-01  1.2984340000e+00  8.3616300000e-01 -9.0352700000e-01  9.2265500000e-01 -1.6730700000e-01  1.6460900000e-01  5.4314500000e-01 -2.9349000000e-01  2.6547100000e-01 -1.1785420000e+00 -6.5615100000e-01  5.2265100000e-01 -2.0262260000e+00  4.2938500000e-01 -3.2329000000e-01 -1.3954390000e+00
+ENERGY -1.526542126152e+02
+FORCES -4.6101000000e-03  2.7861000000e-03 -1.6810000000e-02 -8.7320000000e-04  1.9427000000e-03 -1.1305000000e-03  3.2912000000e-03 -2.2973000000e-03  3.4521000000e-03  2.4899000000e-03 -2.1107000000e-03  8.4087000000e-03  3.4104000000e-03 -2.5896000000e-03  3.5122000000e-03 -3.7082000000e-03  2.2688000000e-03  2.5676000000e-03
+
+JOB 4
+COORDS -5.3900000000e-04 -1.1716290000e+00 -4.5290800000e-01 -7.7267000000e-02 -1.0488440000e+00 -1.3990950000e+00 -7.9283000000e-01 -1.6496260000e+00 -2.0790800000e-01  8.7382000000e-02  1.1980280000e+00  5.6066400000e-01 -3.3087600000e-01  1.9005270000e+00  6.2882000000e-02 -9.3108000000e-02  4.0543400000e-01  5.5244000000e-02
+ENERGY -1.526558254089e+02
+FORCES -1.0934000000e-03  6.4970000000e-03  3.4199000000e-03 -1.1223000000e-03  2.7807000000e-03  7.0307000000e-03  4.1961000000e-03  4.2090000000e-03 -2.2193000000e-03 -5.1370000000e-04 -1.8984500000e-02 -7.4003000000e-03  7.7440000000e-04 -5.0815000000e-03 -7.7700000000e-04 -2.2411000000e-03  1.0579400000e-02 -5.4100000000e-05
+
+JOB 5
+COORDS  4.2093000000e-02 -8.2729300000e-01 -1.0321550000e+00 -2.6353900000e-01 -1.6879200000e-01 -4.0829800000e-01 -3.4787600000e-01 -5.6664000000e-01 -1.8665510000e+00 -2.8423000000e-02  8.1372900000e-01  9.8919000000e-01  8.6538000000e-01  4.9006000000e-01  1.1013810000e+00 -5.0262700000e-01  4.7755500000e-01  1.7496830000e+00
+ENERGY -1.526595701467e+02
+FORCES -2.8496000000e-03  1.2220300000e-02  1.2238500000e-02  2.5066000000e-03 -7.5925000000e-03 -7.0181000000e-03  2.6950000000e-04  1.1937000000e-03  4.0197000000e-03  3.7764000000e-03 -7.6249000000e-03 -3.7095000000e-03 -6.4582000000e-03  1.1673000000e-03 -7.2530000000e-04  2.7554000000e-03  6.3610000000e-04 -4.8052000000e-03
+
+JOB 6
+COORDS  7.6049200000e-01  3.3697300000e-01 -9.9242600000e-01  7.2959900000e-01 -3.7165600000e-01 -1.6351720000e+00  1.5087300000e+00  1.2302300000e-01 -4.3511300000e-01 -8.1950100000e-01 -2.4580700000e-01  1.0524330000e+00 -4.3824500000e-01 -1.0193000000e-02  2.0664200000e-01 -9.0565900000e-01 -1.1985630000e+00  1.0197830000e+00
+ENERGY -1.526578117317e+02
+FORCES -5.2600000000e-05 -4.0207000000e-03  6.3986000000e-03 -1.0019000000e-03  2.6097000000e-03  5.6559000000e-03 -5.5531000000e-03 -1.5620000000e-04 -3.3380000000e-03  8.9244000000e-03  3.1708000000e-03 -1.5848200000e-02 -4.0955000000e-03 -4.4408000000e-03  8.5093000000e-03  1.7786000000e-03  2.8372000000e-03 -1.3776000000e-03
+
+JOB 7
+COORDS  2.6496000000e-01  1.0815860000e+00  7.8097100000e-01  1.1653880000e+00  1.0969140000e+00  1.1053570000e+00  2.6692600000e-01  4.0981000000e-01  9.9102000000e-02 -3.3120200000e-01 -1.0265910000e+00 -7.0785400000e-01  3.3625800000e-01 -1.6970020000e+00 -8.5372300000e-01 -6.2486400000e-01 -7.8517100000e-01 -1.5863250000e+00
+ENERGY -1.526577267337e+02
+FORCES -2.6478000000e-03 -1.3867500000e-02 -8.5648000000e-03 -2.5621000000e-03 -2.1291000000e-03 -2.1140000000e-03  4.0681000000e-03  9.1224000000e-03  2.9900000000e-03  9.2300000000e-04  2.3898000000e-03  1.5121000000e-03 -2.8860000000e-03  5.0154000000e-03  7.1190000000e-04  3.1048000000e-03 -5.3100000000e-04  5.4648000000e-03
+
+JOB 8
+COORDS -8.8915400000e-01 -9.4432300000e-01 -4.6013100000e-01 -4.2043500000e-01 -2.3153400000e-01 -2.6002000000e-02 -1.4314190000e+00 -5.0927800000e-01 -1.1180940000e+00  8.2467800000e-01  8.8902800000e-01  4.8081900000e-01  1.2008200000e+00  4.1396300000e-01 -2.6016800000e-01  1.5804870000e+00  1.1511870000e+00  1.0064210000e+00
+ENERGY -1.526570027287e+02
+FORCES  2.5100000000e-03  9.3359000000e-03  6.4914000000e-03  4.2995000000e-03 -3.6234000000e-03 -9.6083000000e-03  3.1347000000e-03 -5.1480000000e-04  2.0737000000e-03 -4.6630000000e-04 -5.1397000000e-03  1.3650000000e-04 -7.3738000000e-03  1.2634000000e-03  5.3723000000e-03 -2.1040000000e-03 -1.3214000000e-03 -4.4657000000e-03
+
+JOB 9
+COORDS -1.3638100000e-01  6.0724300000e-01 -1.1473110000e+00  1.7523000000e-02  1.4586140000e+00 -7.3778400000e-01  4.6451000000e-01  5.8707400000e-01 -1.8921300000e+00  1.3100900000e-01 -6.3830800000e-01  1.2272290000e+00 -3.5967000000e-01 -1.4423760000e+00  1.0571090000e+00  9.9500000000e-03 -1.1159100000e-01  4.3720000000e-01
+ENERGY -1.526579517809e+02
+FORCES  4.8596000000e-03 -2.4231000000e-03  2.7277000000e-03  1.0850000000e-04 -8.1487000000e-03  7.2150000000e-04 -3.5791000000e-03  1.6132000000e-03  3.2908000000e-03 -3.1983000000e-03  3.1807000000e-03 -1.6219300000e-02  1.5584000000e-03  1.7233000000e-03  5.2310000000e-04  2.5080000000e-04  4.0546000000e-03  8.9561000000e-03
+
+JOB 10
+COORDS -3.9027700000e-01 -1.3021020000e+00  2.2796900000e-01  3.9463100000e-01 -1.8461930000e+00  1.6382300000e-01 -7.9029000000e-02 -4.1169200000e-01  6.5099000000e-02  3.8483700000e-01  1.2361020000e+00 -2.0913200000e-01 -9.3380000000e-03  1.7792190000e+00  4.7342300000e-01 -1.7904200000e-01  1.3628280000e+00 -9.7216100000e-01
+ENERGY -1.526602327743e+02
+FORCES  8.1846000000e-03  1.5031800000e-02 -1.9224000000e-03 -1.7099000000e-03  2.4209000000e-03 -1.3800000000e-04 -6.1117000000e-03 -9.0522000000e-03 -7.4880000000e-04 -4.3300000000e-03 -1.8451000000e-03  1.4334000000e-03  1.4404000000e-03 -3.5275000000e-03 -4.3719000000e-03  2.5267000000e-03 -3.0279000000e-03  5.7477000000e-03
+
+JOB 11
+COORDS  3.4969300000e-01  1.1910460000e+00 -5.2901100000e-01 -8.2587000000e-02  9.3370800000e-01 -1.3433470000e+00  1.2438990000e+00  8.6116200000e-01 -6.1735300000e-01 -4.4406100000e-01 -1.1848890000e+00  5.6392600000e-01 -6.8078000000e-02 -3.5070800000e-01  2.8283700000e-01  2.0759300000e-01 -1.5528850000e+00  1.1607160000e+00
+ENERGY -1.526578942138e+02
+FORCES -3.3090000000e-04 -3.2506000000e-03 -4.4192000000e-03  2.7732000000e-03 -8.0400000000e-05  6.2474000000e-03 -6.9826000000e-03 -1.8494000000e-03  3.4614000000e-03  4.1371000000e-03  1.3715200000e-02 -2.3283000000e-03  1.0097000000e-03 -1.1462400000e-02 -3.9900000000e-05 -6.0650000000e-04  2.9276000000e-03 -2.9215000000e-03
+
+JOB 12
+COORDS -1.0890470000e+00  8.3374300000e-01  1.7545100000e-01 -2.1697000000e-01  4.5746500000e-01  2.9432000000e-01 -9.3977000000e-01  1.6283240000e+00 -3.3698300000e-01  9.8508100000e-01 -8.4165700000e-01 -1.1833500000e-01  9.9923000000e-01 -1.0319290000e+00 -1.0563260000e+00  1.8845660000e+00 -9.9450300000e-01  1.7114000000e-01
+ENERGY -1.526592588360e+02
+FORCES  1.1844600000e-02 -6.5753000000e-03 -9.7390000000e-04 -6.4409000000e-03  6.3904000000e-03  8.0800000000e-04  5.9920000000e-04 -3.2810000000e-03  7.8310000000e-04 -3.4056000000e-03  1.3389000000e-03 -3.1389000000e-03  1.9817000000e-03  1.0208000000e-03  4.8585000000e-03 -4.5790000000e-03  1.1063000000e-03 -2.3368000000e-03
+
+JOB 13
+COORDS -4.2791200000e-01 -1.2396980000e+00 -3.1363600000e-01  1.3222300000e-01 -1.8399050000e+00 -8.0580600000e-01 -5.6327200000e-01 -1.6739260000e+00  5.2859700000e-01  4.2252400000e-01  1.3449750000e+00  2.5637900000e-01  1.1205700000e-01  4.7753300000e-01 -3.2110000000e-03  3.5350800000e-01  1.3487930000e+00  1.2110800000e+00
+ENERGY -1.526601942413e+02
+FORCES  3.2134000000e-03 -8.6570000000e-04  1.3790000000e-03 -3.1762000000e-03  2.3742000000e-03  3.3528000000e-03  1.5910000000e-03  2.9527000000e-03 -4.0651000000e-03 -4.6499000000e-03 -1.2778400000e-02 -1.2665000000e-03  3.1312000000e-03  9.4159000000e-03  3.1555000000e-03 -1.0960000000e-04 -1.0986000000e-03 -2.5558000000e-03
+
+JOB 14
+COORDS  6.0859500000e-01 -6.9900000000e-02  1.1798380000e+00  1.5657820000e+00 -7.3866000000e-02  1.1769750000e+00  3.7225900000e-01  1.6438100000e-01  2.0773290000e+00 -7.0999500000e-01  2.5740000000e-02 -1.2462340000e+00 -2.1505000000e-01  6.7293600000e-01 -1.7486270000e+00 -1.7423900000e-01 -1.3613300000e-01 -4.6970700000e-01
+ENERGY -1.526597659046e+02
+FORCES -2.6654000000e-03  1.5999000000e-03  3.7200000000e-05 -5.0309000000e-03  7.3380000000e-04 -2.8080000000e-04  3.4700000000e-03 -1.1572000000e-03 -3.3649000000e-03  6.5207000000e-03  1.6913000000e-03  1.0625300000e-02 -6.5990000000e-04 -2.0107000000e-03  1.8108000000e-03 -1.6346000000e-03 -8.5720000000e-04 -8.8277000000e-03
+
+JOB 15
+COORDS  1.2053410000e+00 -7.6395800000e-01 -2.2400000000e-01  5.2626700000e-01 -1.3735900000e-01  2.5929000000e-02  9.5087900000e-01 -1.0573840000e+00 -1.0988620000e+00 -1.1022610000e+00  7.0900500000e-01  2.2529100000e-01 -2.0340980000e+00  4.9108000000e-01  2.0481800000e-01 -1.0540030000e+00  1.5073540000e+00  7.5116500000e-01
+ENERGY -1.526598940815e+02
+FORCES -1.2324500000e-02  5.8093000000e-03 -9.1440000000e-04  8.2788000000e-03 -1.1969000000e-03  3.4150000000e-04  9.3140000000e-04  3.3000000000e-06  2.1777000000e-03 -4.0420000000e-04 -2.9123000000e-03  5.5060000000e-04  3.7246000000e-03  2.9155000000e-03  3.5040000000e-04 -2.0600000000e-04 -4.6189000000e-03 -2.5059000000e-03
+
+JOB 16
+COORDS -6.7968600000e-01  1.1073400000e-01  1.2451700000e+00 -5.8756400000e-01  5.3848000000e-02  2.9411300000e-01 -1.5284080000e+00  5.3254100000e-01  1.3792680000e+00  7.2180900000e-01 -1.0877800000e-01 -1.1323890000e+00  1.2414840000e+00  2.8988300000e-01 -1.8304140000e+00  2.5216900000e-01 -8.2403000000e-01 -1.5614380000e+00
+ENERGY -1.526569544461e+02
+FORCES  3.5580000000e-03  1.9679000000e-03 -7.9685000000e-03 -6.8356000000e-03 -3.7022000000e-03  4.8006000000e-03  3.3219000000e-03 -1.3160000000e-03 -1.8975000000e-03  2.1603000000e-03  7.6820000000e-04 -1.5755000000e-03 -2.2222000000e-03 -3.1112000000e-03  2.5885000000e-03  1.7600000000e-05  5.3933000000e-03  4.0523000000e-03
+
+JOB 17
+COORDS  3.3059000000e-01  1.3265340000e+00  2.9202700000e-01  1.3400000000e-04  1.4139650000e+00 -6.0205700000e-01 -3.1211300000e-01  1.7870740000e+00  8.3153500000e-01 -2.4348700000e-01 -1.4105950000e+00 -3.0302500000e-01  1.5638600000e-01 -6.0922800000e-01  3.4828000000e-02 -1.1774030000e+00 -1.3085330000e+00 -1.1968200000e-01
+ENERGY -1.526595053548e+02
+FORCES -4.1632000000e-03  2.3005000000e-03 -1.6094000000e-03  1.0356000000e-03 -2.5592000000e-03  5.9190000000e-03  2.4130000000e-03 -2.6537000000e-03 -3.4697000000e-03  3.9390000000e-04  1.0236100000e-02  5.9618000000e-03 -2.1557000000e-03 -7.4577000000e-03 -5.5715000000e-03  2.4764000000e-03  1.3400000000e-04 -1.2302000000e-03
+
+JOB 18
+COORDS -7.1708400000e-01 -1.2477370000e+00 -3.1344100000e-01 -8.5495000000e-01 -1.3947370000e+00  6.2230300000e-01 -4.3208600000e-01 -3.3593800000e-01 -3.7370300000e-01  6.6463300000e-01  1.1956790000e+00  2.0736000000e-01  5.5700600000e-01  1.5506120000e+00  1.0897830000e+00  1.5707840000e+00  8.8837600000e-01  1.8116100000e-01
+ENERGY -1.526600389540e+02
+FORCES  4.3390000000e-03  1.0772000000e-02  5.0465000000e-03  3.1660000000e-04 -2.2900000000e-04 -2.2858000000e-03 -3.6045000000e-03 -7.8254000000e-03 -3.0032000000e-03  2.8189000000e-03 -1.9601000000e-03  3.3288000000e-03  9.5920000000e-04 -2.5295000000e-03 -3.8884000000e-03 -4.8292000000e-03  1.7720000000e-03  8.0220000000e-04
+
+JOB 19
+COORDS  1.1448930000e+00  6.0984500000e-01 -6.9049700000e-01  1.1173520000e+00 -3.2149500000e-01 -4.7122800000e-01  2.7264400000e-01  8.0113400000e-01 -1.0352040000e+00 -1.1281980000e+00 -6.3591400000e-01  7.0826900000e-01 -1.1811600000e+00 -4.1971000000e-02 -4.0503000000e-02 -5.6055000000e-01 -1.8451600000e-01  1.3329660000e+00
+ENERGY -1.526519410385e+02
+FORCES -5.3632000000e-03 -6.5367000000e-03 -1.2450000000e-04  1.2432000000e-03  5.3034000000e-03 -4.3010000000e-04 -9.5190000000e-04 -1.3466000000e-03  4.4294000000e-03  4.4113000000e-03  7.7609000000e-03  2.9070000000e-04  3.2070000000e-03 -1.4111000000e-03 -1.7904000000e-03 -2.5464000000e-03 -3.7699000000e-03 -2.3751000000e-03
+
+JOB 20
+COORDS -7.2911500000e-01 -5.9329900000e-01  1.1344370000e+00 -3.6443800000e-01 -2.3755700000e-01  3.2407200000e-01 -2.8148100000e-01 -1.4312440000e+00  1.2515020000e+00  6.2142800000e-01  6.0630300000e-01 -1.0620980000e+00  9.0065000000e-01  1.4678030000e+00 -1.3720730000e+00  1.3596140000e+00  2.9597000000e-02 -1.2588830000e+00
+ENERGY -1.526597868437e+02
+FORCES  5.4702000000e-03  3.4891000000e-03 -7.9843000000e-03 -3.2951000000e-03 -6.6517000000e-03  6.3712000000e-03 -4.9680000000e-04  2.8211000000e-03 -1.2641000000e-03  2.0217000000e-03  2.5972000000e-03  9.2430000000e-04  2.9760000000e-04 -4.7031000000e-03  2.0470000000e-04 -3.9975000000e-03  2.4474000000e-03  1.7482000000e-03
+
+JOB 21
+COORDS  1.2224850000e+00  7.3557300000e-01  3.3943000000e-01  1.8722290000e+00  1.6589100000e-01  7.5116800000e-01  4.1078900000e-01  2.2871000000e-01  3.6111600000e-01 -1.1704160000e+00 -6.4868000000e-01 -3.2252500000e-01 -1.6579300000e+00 -1.4679570000e+00 -2.3681500000e-01 -1.4341060000e+00 -3.0048800000e-01 -1.1742650000e+00
+ENERGY -1.526611546006e+02
+FORCES -6.7839000000e-03 -7.3211000000e-03 -3.9180000000e-04 -2.3660000000e-03  1.2384000000e-03 -1.1189000000e-03  7.5589000000e-03  5.5214000000e-03  1.8068000000e-03 -2.7480000000e-04 -3.5250000000e-04 -2.8994000000e-03  1.7539000000e-03  3.6778000000e-03 -1.6175000000e-03  1.1190000000e-04 -2.7639000000e-03  4.2207000000e-03
+
+JOB 22
+COORDS -2.8691600000e-01  1.4374740000e+00 -2.0590500000e-01 -1.5602100000e-01  4.9049500000e-01 -2.5416400000e-01 -3.6990500000e-01  1.6208920000e+00  7.2988400000e-01  2.9084600000e-01 -1.3411970000e+00  1.8807700000e-01 -2.6046100000e-01 -2.1090810000e+00  3.3856500000e-01  7.6463000000e-01 -1.5404510000e+00 -6.1942400000e-01
+ENERGY -1.526604577560e+02
+FORCES  1.4272000000e-03 -1.0814200000e-02  5.9444000000e-03  3.9340000000e-04  7.7777000000e-03 -5.0611000000e-03 -3.0280000000e-04  5.4530000000e-04 -2.6061000000e-03 -9.8390000000e-04 -3.2814000000e-03 -1.1774000000e-03  3.5496000000e-03  3.1886000000e-03 -9.8280000000e-04 -4.0835000000e-03  2.5841000000e-03  3.8830000000e-03
+
+JOB 23
+COORDS  9.0289700000e-01  1.1019090000e+00 -5.0896800000e-01  7.8642400000e-01  3.0844800000e-01  1.3608000000e-02  2.4346000000e-02  1.3117560000e+00 -8.2573900000e-01 -7.9009900000e-01 -1.0308150000e+00  4.5483500000e-01 -1.6962770000e+00 -7.7013100000e-01  6.1950700000e-01 -6.7977500000e-01 -1.8419270000e+00  9.5097700000e-01
+ENERGY -1.526587608423e+02
+FORCES -8.7201000000e-03 -8.2177000000e-03  2.5715000000e-03  5.9579000000e-03  4.2457000000e-03 -1.1819000000e-03  2.1857000000e-03  1.6062000000e-03  2.2610000000e-04 -3.1198000000e-03 -3.9210000000e-04  1.6053000000e-03  4.1275000000e-03 -1.5088000000e-03 -1.1052000000e-03 -4.3120000000e-04  4.2668000000e-03 -2.1158000000e-03
+
+JOB 24
+COORDS  1.3320200000e+00 -8.0117000000e-02 -5.6422100000e-01  1.3065280000e+00 -7.7723900000e-01  9.1219000000e-02  1.1862320000e+00 -5.2848800000e-01 -1.3972520000e+00 -1.3478140000e+00  1.8051400000e-01  6.2512700000e-01 -4.3122000000e-01 -2.3497000000e-02  4.3947600000e-01 -1.8222580000e+00 -1.1958400000e-01 -1.5016300000e-01
+ENERGY -1.526549222390e+02
+FORCES  1.1040000000e-03 -4.1781000000e-03 -2.9762000000e-03 -6.3497000000e-03  6.4397000000e-03 -2.4724000000e-03 -1.3020000000e-04  2.2306000000e-03  4.7339000000e-03  7.4059000000e-03  7.2580000000e-04 -8.1248000000e-03 -3.4097000000e-03 -5.6502000000e-03  6.2115000000e-03  1.3796000000e-03  4.3220000000e-04  2.6280000000e-03
+
+JOB 25
+COORDS  3.5438600000e-01 -7.0341200000e-01 -1.2743330000e+00 -4.8432800000e-01 -1.0188390000e+00 -1.6109300000e+00  1.5717800000e-01 -3.9430400000e-01 -3.9014300000e-01 -3.5629300000e-01  6.8389900000e-01  1.2127810000e+00  6.5638000000e-02  1.5427160000e+00  1.2381040000e+00  2.6195600000e-01  9.9734000000e-02  1.6518150000e+00
+ENERGY -1.526595557635e+02
+FORCES -6.8406000000e-03  4.7208000000e-03  6.7489000000e-03  2.7633000000e-03  7.8490000000e-04  9.4790000000e-04  5.7042000000e-03 -7.0539000000e-03 -4.2065000000e-03  3.3857000000e-03  4.4094000000e-03  2.5294000000e-03 -1.9265000000e-03 -4.6929000000e-03  6.6640000000e-04 -3.0861000000e-03  1.8317000000e-03 -6.6861000000e-03
+
+JOB 26
+COORDS  1.0958360000e+00 -3.9824300000e-01 -9.5520900000e-01  3.2038300000e-01 -6.7622000000e-02 -5.0178400000e-01  1.0800830000e+00 -1.3426670000e+00 -8.0013300000e-01 -9.9628900000e-01  4.1849200000e-01  8.7614200000e-01 -1.2326010000e+00 -2.0887000000e-02  1.6930480000e+00 -1.6520920000e+00  1.1085680000e+00  7.7639400000e-01
+ENERGY -1.526607403930e+02
+FORCES -7.7565000000e-03  9.4500000000e-05  6.9754000000e-03  5.9120000000e-03 -1.7230000000e-03 -6.8997000000e-03  3.1410000000e-04  2.5409000000e-03 -2.1430000000e-04 -1.2174000000e-03  5.5800000000e-05  2.5920000000e-03 -1.1730000000e-04  2.6160000000e-03 -3.6256000000e-03  2.8651000000e-03 -3.5842000000e-03  1.1723000000e-03
+
+JOB 27
+COORDS -1.2262020000e+00 -5.1922900000e-01 -6.9217100000e-01 -4.3621500000e-01 -1.1146900000e-01 -3.3737100000e-01 -1.6649690000e+00  1.8401100000e-01 -1.1708870000e+00  1.2184680000e+00  4.7016100000e-01  6.3521100000e-01  6.4919700000e-01  9.2763200000e-01  1.2539860000e+00  1.5064910000e+00 -3.1143000000e-01  1.1067930000e+00
+ENERGY -1.526606776363e+02
+FORCES  7.8946000000e-03  4.9417000000e-03  6.9380000000e-04 -1.0697000000e-02 -2.4653000000e-03 -1.3790000000e-03  1.9026000000e-03 -1.6522000000e-03  2.4048000000e-03  2.0155000000e-03 -1.7618000000e-03  6.1772000000e-03  1.0027000000e-03 -3.4403000000e-03 -5.5208000000e-03 -2.1183000000e-03  4.3777000000e-03 -2.3760000000e-03
+
+JOB 28
+COORDS  1.0500120000e+00  5.5007300000e-01  8.2675200000e-01  1.4884760000e+00  9.0053400000e-01  5.1408000000e-02  7.1923600000e-01  1.3225400000e+00  1.2851320000e+00 -1.0671150000e+00 -6.6951000000e-01 -8.5561700000e-01 -3.4200100000e-01 -5.3975800000e-01 -2.4438400000e-01 -1.6397980000e+00  8.3907000000e-02 -7.1199300000e-01
+ENERGY -1.526600652780e+02
+FORCES  1.1292000000e-03  5.6900000000e-03 -6.3090000000e-04 -3.5713000000e-03 -2.2007000000e-03  3.8710000000e-03  1.2962000000e-03 -3.4798000000e-03 -2.9812000000e-03  4.7394000000e-03  5.3950000000e-03  7.8726000000e-03 -5.0351000000e-03 -3.4793000000e-03 -7.1840000000e-03  1.4416000000e-03 -1.9251000000e-03 -9.4760000000e-04
+
+JOB 29
+COORDS  9.6705700000e-01  5.1534100000e-01  8.7932800000e-01  1.6120950000e+00 -1.0102300000e-01  1.2261050000e+00  1.0765480000e+00  1.3026520000e+00  1.4126050000e+00 -1.0631060000e+00 -5.5961600000e-01 -9.1434900000e-01 -9.3414200000e-01 -5.7717000000e-02 -1.7191460000e+00 -2.6782000000e-01 -4.0450900000e-01 -4.0474600000e-01
+ENERGY -1.526600478251e+02
+FORCES -7.3500000000e-05  2.7930000000e-03  3.4170000000e-03 -3.6352000000e-03  2.8105000000e-03 -2.1542000000e-03  1.3125000000e-03 -3.9479000000e-03 -1.6490000000e-03  7.0502000000e-03  5.8327000000e-03  3.5257000000e-03 -6.2670000000e-04 -1.4570000000e-03  2.3374000000e-03 -4.0273000000e-03 -6.0314000000e-03 -5.4769000000e-03
+
+JOB 30
+COORDS  9.2192600000e-01  9.5415900000e-01 -5.7031100000e-01  1.3081160000e+00  1.2781100000e-01 -8.6054900000e-01  1.6719770000e+00  1.4988540000e+00 -3.3164300000e-01 -9.7898100000e-01 -9.9467700000e-01  6.1586300000e-01 -3.1707500000e-01 -3.7928400000e-01  3.0057900000e-01 -1.7973910000e+00 -6.8747700000e-01  2.2590900000e-01
+ENERGY -1.526595892442e+02
+FORCES  5.6684000000e-03  1.3491000000e-03 -3.7000000000e-06 -4.8076000000e-03  3.5335000000e-03  4.4406000000e-03 -2.8858000000e-03 -2.8828000000e-03 -2.3022000000e-03  1.3756000000e-03  8.7478000000e-03 -3.0777000000e-03 -1.7311000000e-03 -9.2406000000e-03 -3.7080000000e-04  2.3805000000e-03 -1.5071000000e-03  1.3138000000e-03
+
+JOB 31
+COORDS -2.9863200000e-01 -2.2798000000e-01  1.4659120000e+00 -3.3359000000e-01  9.0869000000e-02  5.6405500000e-01 -1.1250030000e+00 -6.9551900000e-01  1.5873620000e+00  3.2050400000e-01  2.0369100000e-01 -1.3691420000e+00  5.6810600000e-01  1.1243720000e+00 -1.4544190000e+00  4.7676000000e-01 -1.6823900000e-01 -2.2371760000e+00
+ENERGY -1.526593156293e+02
+FORCES -1.2056000000e-03 -1.2500000000e-03 -8.5536000000e-03 -1.7742000000e-03  2.5370000000e-03  8.4279000000e-03  2.6762000000e-03  1.3295000000e-03 -5.4020000000e-04  2.4701000000e-03 -7.9510000000e-04 -3.6218000000e-03 -2.0450000000e-03 -4.7229000000e-03  1.1951000000e-03 -1.2150000000e-04  2.9015000000e-03  3.0925000000e-03
+
+JOB 32
+COORDS -6.1283400000e-01 -7.2149100000e-01 -1.0682800000e+00 -8.2826500000e-01 -1.5031860000e+00 -1.5769790000e+00 -7.4645500000e-01  5.2040000000e-03 -1.6767960000e+00  6.4433400000e-01  7.8956200000e-01  1.1449600000e+00  9.2411300000e-01 -3.9150000000e-03  1.6014140000e+00  1.4053200000e-01  4.7066700000e-01  3.9614700000e-01
+ENERGY -1.526591616940e+02
+FORCES -7.4920000000e-04 -2.1335000000e-03 -3.4356000000e-03  6.4440000000e-04  4.0057000000e-03  1.0971000000e-03  1.2304000000e-03 -3.0797000000e-03  4.7007000000e-03 -2.8543000000e-03 -9.0230000000e-03 -4.5089000000e-03 -1.1390000000e-04  2.9100000000e-03 -1.0690000000e-04  1.8427000000e-03  7.3205000000e-03  2.2536000000e-03
+
+JOB 33
+COORDS -1.4694200000e-01  5.6698000000e-02  1.5351070000e+00 -6.3336500000e-01  8.7398500000e-01  1.4270970000e+00 -2.6037900000e-01 -4.0190600000e-01  7.0261300000e-01  1.3834600000e-01 -1.2949200000e-01 -1.4545840000e+00  1.0543010000e+00  9.9120000000e-03 -1.2141150000e+00 -4.5217000000e-02  5.4920900000e-01 -2.1041240000e+00
+ENERGY -1.526594537108e+02
+FORCES -3.8501000000e-03  1.4286000000e-03 -8.8907000000e-03  1.8193000000e-03 -1.9171000000e-03  1.5539000000e-03  2.5596000000e-03 -1.7330000000e-04  7.2264000000e-03  3.3000000000e-03  4.3161000000e-03 -1.9029000000e-03 -5.2713000000e-03 -1.0513000000e-03 -9.4430000000e-04  1.4425000000e-03 -2.6030000000e-03  2.9575000000e-03
+
+JOB 34
+COORDS  3.6908600000e-01  1.2836220000e+00 -8.1103500000e-01  7.6872800000e-01  1.0632100000e+00  3.0354000000e-02 -4.1329700000e-01  7.3403100000e-01 -8.5641200000e-01 -3.7896600000e-01 -1.1810860000e+00  7.8275300000e-01 -7.9450500000e-01 -1.9875140000e+00  4.7741300000e-01  5.5987100000e-01 -1.3499040000e+00  7.0327600000e-01
+ENERGY -1.526571638209e+02
+FORCES -4.6380000000e-03 -6.5050000000e-03  6.5647000000e-03  2.0382000000e-03  7.6830000000e-04 -2.8718000000e-03  2.1967000000e-03  3.9963000000e-03 -3.7563000000e-03  2.7799000000e-03 -4.8532000000e-03 -1.3723000000e-03  1.8520000000e-03  4.0608000000e-03  7.8520000000e-04 -4.2289000000e-03  2.5329000000e-03  6.5060000000e-04
+
+JOB 35
+COORDS -6.6972900000e-01 -3.7519300000e-01 -1.3444590000e+00 -7.6951400000e-01  5.3727000000e-01 -1.6159130000e+00 -1.4535800000e-01 -3.3172100000e-01 -5.4484800000e-01  6.4639600000e-01  3.1550300000e-01  1.2492860000e+00  2.0999600000e-01 -3.1439600000e-01  1.8228830000e+00  1.0194090000e+00  9.6475600000e-01  1.8455770000e+00
+ENERGY -1.526600279001e+02
+FORCES  4.5456000000e-03  6.3498000000e-03  6.1438000000e-03 -2.9520000000e-04 -2.8223000000e-03 -3.3860000000e-04 -4.5998000000e-03 -4.9478000000e-03 -4.7449000000e-03  3.1040000000e-04  1.7473000000e-03  4.1577000000e-03  2.2017000000e-03  3.0306000000e-03 -3.8034000000e-03 -2.1626000000e-03 -3.3576000000e-03 -1.4147000000e-03
+
+JOB 36
+COORDS  7.6872300000e-01  1.3295900000e-01 -1.3513760000e+00  1.8470400000e-01 -2.4705200000e-01 -6.9506400000e-01  1.6397280000e+00  7.7797000000e-02 -9.5826300000e-01 -7.9325400000e-01 -3.7649000000e-02  1.2779430000e+00 -1.1843300000e-01 -4.2772700000e-01  1.8335400000e+00 -1.3059860000e+00 -7.8258200000e-01  9.6423500000e-01
+ENERGY -1.526559141683e+02
+FORCES -1.5935000000e-03  6.6690000000e-04  9.2465000000e-03  2.5938000000e-03 -3.5883000000e-03 -6.8070000000e-03 -2.6650000000e-03 -2.4130000000e-04 -1.4542000000e-03 -1.0289000000e-03 -2.8090000000e-03  4.7027000000e-03 -2.5749000000e-03  1.7466000000e-03 -4.3919000000e-03  5.2686000000e-03  4.2251000000e-03 -1.2961000000e-03
+
+JOB 37
+COORDS -1.0409730000e+00 -4.0961000000e-02  1.0942600000e+00 -8.4452000000e-02 -6.2142000000e-02  1.0651010000e+00 -1.2695180000e+00 -5.6932400000e-01  1.8590030000e+00  1.0504820000e+00  5.6076000000e-02 -1.0826300000e+00  8.7080600000e-01  9.0995200000e-01 -1.4761310000e+00  4.7284000000e-01 -5.4893800000e-01 -1.5479460000e+00
+ENERGY -1.526591378751e+02
+FORCES  5.5404000000e-03 -8.7810000000e-04  5.0290000000e-04 -6.5014000000e-03 -4.2580000000e-04  4.7214000000e-03  1.6250000000e-03  1.5387000000e-03 -3.4703000000e-03 -5.5975000000e-03  1.0659000000e-03 -4.4147000000e-03  1.2518000000e-03 -3.6297000000e-03  1.4333000000e-03  3.6816000000e-03  2.3290000000e-03  1.2274000000e-03
+
+JOB 38
+COORDS  2.4648700000e-01  1.3403200000e+00 -5.5697900000e-01  1.1971380000e+00  1.4358280000e+00 -6.1504000000e-01 -5.0829000000e-02  2.1485300000e+00 -1.3909000000e-01 -2.8907700000e-01 -1.4543800000e+00  5.0255800000e-01 -9.4036000000e-02 -1.3231010000e+00  1.4304350000e+00 -3.5950200000e-01 -5.6943500000e-01  1.4458500000e-01
+ENERGY -1.526608418231e+02
+FORCES  3.9937000000e-03  4.2026000000e-03  1.7620000000e-04 -4.7576000000e-03  5.5920000000e-04  7.7920000000e-04  1.9376000000e-03 -4.0362000000e-03 -1.4600000000e-03  1.1617000000e-03  8.6937000000e-03 -2.8340000000e-04 -4.3560000000e-04 -4.8940000000e-04 -2.7516000000e-03 -1.8997000000e-03 -8.9300000000e-03  3.5397000000e-03
+
+JOB 39
+COORDS  1.4850290000e+00 -1.5591000000e-01  5.3569000000e-01  1.2813830000e+00  7.3764400000e-01  8.1195300000e-01  6.5651500000e-01 -4.9798500000e-01  1.9986100000e-01 -1.4044550000e+00  1.4490700000e-01 -4.6808800000e-01 -1.5547740000e+00 -7.5858800000e-01 -7.4617500000e-01 -1.5352340000e+00  6.6496100000e-01 -1.2609770000e+00
+ENERGY -1.526583466155e+02
+FORCES -9.6322000000e-03  4.4228000000e-03 -1.3381000000e-03  2.9846000000e-03 -2.1305000000e-03 -2.5490000000e-04  5.6873000000e-03 -4.2422000000e-03  1.0591000000e-03 -2.7048000000e-03  2.3110000000e-04 -5.3721000000e-03  3.4499000000e-03  4.3019000000e-03  2.0447000000e-03  2.1530000000e-04 -2.5832000000e-03  3.8614000000e-03
+
+JOB 40
+COORDS  9.5419200000e-01  6.6678700000e-01 -9.4605500000e-01  9.5348900000e-01  3.9924000000e-01 -1.8651040000e+00  5.2442400000e-01  1.5220820000e+00 -9.4476500000e-01 -9.8516600000e-01 -7.3393800000e-01  9.7015300000e-01 -1.3572300000e-01 -5.5749400000e-01  5.6574400000e-01 -9.6384400000e-01 -2.4841700000e-01  1.7948020000e+00
+ENERGY -1.526601361696e+02
+FORCES -3.0483000000e-03  3.0912000000e-03 -5.0178000000e-03  8.0400000000e-05  1.7224000000e-03  3.9831000000e-03  2.5872000000e-03 -3.6263000000e-03 -5.4900000000e-05  6.4628000000e-03  3.6897000000e-03 -1.7642000000e-03 -5.9380000000e-03 -3.8851000000e-03  6.0067000000e-03 -1.4410000000e-04 -9.9190000000e-04 -3.1529000000e-03
+
+JOB 41
+COORDS  8.8619300000e-01  4.1813200000e-01  1.1790650000e+00  7.4911500000e-01 -3.6046900000e-01  6.3941500000e-01  1.1523870000e+00  7.5061000000e-02  2.0321030000e+00 -8.3148200000e-01 -3.8039300000e-01 -1.2054120000e+00 -1.5011760000e+00 -8.6178800000e-01 -7.1961300000e-01 -1.2623970000e+00  4.3379200000e-01 -1.4655040000e+00
+ENERGY -1.526573126667e+02
+FORCES -3.8220000000e-04 -4.2930000000e-03 -2.9054000000e-03  2.7624000000e-03  1.5984000000e-03  6.9519000000e-03 -1.9877000000e-03  7.1080000000e-04 -3.7438000000e-03 -5.0292000000e-03  4.8701000000e-03  1.0928000000e-03  3.9696000000e-03  1.3746000000e-03 -1.3986000000e-03  6.6710000000e-04 -4.2609000000e-03  3.3000000000e-06
+
+JOB 42
+COORDS  1.2550790000e+00  2.9002000000e-02  8.2404400000e-01  2.0675020000e+00 -4.1694200000e-01  5.8459700000e-01  1.4536690000e+00  9.5995100000e-01  7.2341500000e-01 -1.2978400000e+00 -5.1707000000e-02 -7.3937600000e-01 -1.1680770000e+00  6.1784200000e-01 -1.4110140000e+00 -1.6435920000e+00 -8.0618800000e-01 -1.2162870000e+00
+ENERGY -1.526496966331e+02
+FORCES  1.3330000000e-03  2.2863000000e-03 -2.7938000000e-03 -3.8753000000e-03  1.4036000000e-03  6.6970000000e-04 -6.5010000000e-04 -3.5767000000e-03  2.3440000000e-04  1.8476000000e-03 -9.6130000000e-04 -3.3799000000e-03 -3.0210000000e-04 -2.1152000000e-03  3.1023000000e-03  1.6469000000e-03  2.9633000000e-03  2.1673000000e-03
+
+JOB 43
+COORDS  1.0932850000e+00  1.0607010000e+00 -5.1801400000e-01  1.6455730000e+00  6.5545300000e-01  1.5055500000e-01  2.5760900000e-01  5.9872000000e-01 -4.5130300000e-01 -1.0761120000e+00 -9.4541100000e-01  4.6783400000e-01 -5.3649200000e-01 -1.4750620000e+00  1.0547860000e+00 -1.6367760000e+00 -1.5790290000e+00  2.0154000000e-02
+ENERGY -1.526596099466e+02
+FORCES -4.8676000000e-03 -5.9065000000e-03  4.0864000000e-03 -1.0571000000e-03  1.1836000000e-03 -1.9120000000e-03  6.3655000000e-03  5.4047000000e-03 -2.7555000000e-03 -1.2754000000e-03 -6.0099000000e-03  1.1606000000e-03 -1.9335000000e-03  2.7388000000e-03 -3.0921000000e-03  2.7681000000e-03  2.5893000000e-03  2.5127000000e-03
+
+JOB 44
+COORDS  4.5762400000e-01  1.5438660000e+00 -9.1088000000e-02  6.1327400000e-01  1.5038480000e+00 -1.0347000000e+00  1.3231500000e-01  6.7266100000e-01  1.3564200000e-01 -3.9813500000e-01 -1.4555080000e+00  1.7085500000e-01 -6.2627600000e-01 -1.4648420000e+00 -7.5871300000e-01 -1.0618140000e+00 -2.0060480000e+00  5.8638800000e-01
+ENERGY -1.526593160598e+02
+FORCES -9.6440000000e-04 -7.1067000000e-03 -6.1090000000e-04 -1.0703000000e-03 -3.4650000000e-04  2.8736000000e-03  1.9799000000e-03  8.6687000000e-03 -3.4161000000e-03 -4.4875000000e-03 -5.1037000000e-03 -7.2710000000e-04  1.4869000000e-03  2.0020000000e-03  4.6768000000e-03  3.0554000000e-03  1.8861000000e-03 -2.7964000000e-03
+
+JOB 45
+COORDS -1.2058870000e+00  8.0220900000e-01 -6.5404600000e-01 -4.8600900000e-01  1.9129500000e-01 -4.9658700000e-01 -1.0343010000e+00  1.1554240000e+00 -1.5269890000e+00  1.1086510000e+00 -7.6877900000e-01  6.9930100000e-01  1.3239920000e+00 -1.6942890000e+00  5.8401200000e-01  1.9570020000e+00 -3.2606000000e-01  7.2237300000e-01
+ENERGY -1.526601130773e+02
+FORCES  5.8346000000e-03 -3.2277000000e-03  2.9900000000e-04 -7.1019000000e-03  4.8102000000e-03 -5.2629000000e-03  2.3100000000e-05 -1.3496000000e-03  3.1156000000e-03  5.7404000000e-03 -2.2013000000e-03  2.3126000000e-03 -7.3330000000e-04  4.6725000000e-03  1.3680000000e-04 -3.7629000000e-03 -2.7040000000e-03 -6.0110000000e-04
+
+JOB 46
+COORDS -7.5201700000e-01  1.1750930000e+00  7.7895200000e-01 -6.3748800000e-01  7.0185600000e-01 -4.5161000000e-02 -1.5689720000e+00  8.3209300000e-01  1.1411240000e+00  7.8438200000e-01 -1.1298040000e+00 -8.0533300000e-01  2.3605600000e-01 -1.3018760000e+00 -3.9851000000e-02  1.6256480000e+00 -8.5461000000e-01 -4.4095400000e-01
+ENERGY -1.526576487283e+02
+FORCES -2.2725000000e-03 -1.7566000000e-03 -4.4072000000e-03 -2.3606000000e-03  1.5926000000e-03  7.0202000000e-03  4.1259000000e-03  4.2200000000e-05 -1.5836000000e-03  4.1437000000e-03 -6.9930000000e-04  6.2636000000e-03  9.7000000000e-06  2.5164000000e-03 -4.9895000000e-03 -3.6462000000e-03 -1.6953000000e-03 -2.3035000000e-03
+
+JOB 47
+COORDS -4.8514700000e-01 -3.6971400000e-01 -1.5090500000e+00  2.0176900000e-01  4.8456000000e-02 -9.8990500000e-01 -9.4310500000e-01 -9.3689500000e-01 -8.8871800000e-01  4.7161600000e-01  4.2984900000e-01  1.4072090000e+00  1.2502350000e+00  7.2307000000e-02  1.8339970000e+00 -2.4509300000e-01 -1.2830300000e-01  1.7089140000e+00
+ENERGY -1.526576013508e+02
+FORCES  2.4832000000e-03  1.3867000000e-03  7.9861000000e-03 -2.3902000000e-03 -2.7218000000e-03 -6.4936000000e-03  4.9290000000e-04  1.0974000000e-03 -1.8432000000e-03 -1.2000000000e-04 -2.8267000000e-03  5.6493000000e-03 -3.8334000000e-03  1.3941000000e-03 -2.5284000000e-03  3.3675000000e-03  1.6703000000e-03 -2.7702000000e-03
+
+JOB 48
+COORDS -6.4258500000e-01  1.4560330000e+00 -4.7255700000e-01 -2.0506300000e-01  7.1307700000e-01 -5.6836000000e-02 -5.7976000000e-01  2.1621270000e+00  1.7065100000e-01  6.3952800000e-01 -1.3896230000e+00  3.9744400000e-01 -1.8597300000e-01 -1.5716490000e+00  8.4649600000e-01  1.0018230000e+00 -2.2537040000e+00  2.0164200000e-01
+ENERGY -1.526587072548e+02
+FORCES  4.3898000000e-03 -1.9977000000e-03  3.1706000000e-03 -5.9481000000e-03  6.2175000000e-03 -8.7100000000e-05 -3.8120000000e-04 -2.8939000000e-03 -2.1059000000e-03  2.1700000000e-05 -7.0054000000e-03 -4.8260000000e-04  3.9877000000e-03  2.6971000000e-03 -2.3318000000e-03 -2.0698000000e-03  2.9824000000e-03  1.8369000000e-03
+
+JOB 49
+COORDS  4.0971600000e-01 -1.5786150000e+00  3.1257800000e-01  4.0467500000e-01 -6.4613200000e-01  9.6521000000e-02  1.3028060000e+00 -1.7510570000e+00  6.1071400000e-01 -4.6991300000e-01  1.4727180000e+00 -2.8331400000e-01 -1.8694200000e-01  2.2982630000e+00  1.0992200000e-01 -6.2668100000e-01  1.6863250000e+00 -1.2031120000e+00
+ENERGY -1.526598584997e+02
+FORCES  1.4995000000e-03  5.9508000000e-03  3.2100000000e-05  3.0144000000e-03 -9.0341000000e-03  9.5550000000e-04 -3.0509000000e-03  9.6740000000e-04 -1.0061000000e-03 -1.4713000000e-03  6.3246000000e-03 -2.1377000000e-03 -1.1899000000e-03 -3.5505000000e-03 -2.2771000000e-03  1.1982000000e-03 -6.5810000000e-04  4.4333000000e-03
+
+JOB 50
+COORDS -9.7203700000e-01  9.5930600000e-01 -9.1284900000e-01 -3.0684500000e-01  1.6317110000e+00 -7.6580500000e-01 -9.3826900000e-01  7.9016400000e-01 -1.8543810000e+00  9.4028100000e-01 -1.0479520000e+00  9.7704000000e-01  1.6324420000e+00 -3.8717100000e-01  9.9971100000e-01  1.8834900000e-01 -5.9486500000e-01  5.9554000000e-01
+ENERGY -1.526584096000e+02
+FORCES  1.0935000000e-03  3.5330000000e-03 -6.1602000000e-03 -2.1602000000e-03 -4.4291000000e-03  3.2440000000e-04 -5.4300000000e-05  1.3848000000e-03  4.3750000000e-03 -2.6777000000e-03  5.1151000000e-03 -2.9077000000e-03 -2.3119000000e-03 -1.9616000000e-03 -2.7990000000e-04  6.1106000000e-03 -3.6422000000e-03  4.6484000000e-03
+
+JOB 51
+COORDS  2.1674400000e-01 -1.6796030000e+00 -4.0523100000e-01  2.5658600000e-01 -1.5337470000e+00 -1.3504130000e+00  1.5531300000e-01 -8.0147200000e-01 -2.9273000000e-02 -1.7993100000e-01  1.5676630000e+00  4.3146400000e-01  9.0500000000e-02  2.4747110000e+00  2.8876300000e-01 -1.1040870000e+00  1.6279990000e+00  6.7338400000e-01
+ENERGY -1.526595719148e+02
+FORCES  5.4150000000e-04  6.8240000000e-03 -1.6290000000e-03 -2.0780000000e-04 -1.2238000000e-03  2.9351000000e-03 -7.2950000000e-04 -7.9870000000e-03 -1.5596000000e-03 -1.9542000000e-03  6.3587000000e-03  8.4090000000e-04 -2.0651000000e-03 -3.4798000000e-03  8.0480000000e-04  4.4151000000e-03 -4.9210000000e-04 -1.3922000000e-03
+
+JOB 52
+COORDS -1.2203470000e+00  3.3241700000e-01  1.0776120000e+00 -2.0854780000e+00  4.4784200000e-01  1.4706220000e+00 -6.0722800000e-01  5.0400500000e-01  1.7923670000e+00  1.2728170000e+00 -3.2360000000e-01 -1.0935950000e+00  8.4521200000e-01 -1.1796190000e+00 -1.0687680000e+00  8.9990700000e-01  1.0875100000e-01 -1.8618680000e+00
+ENERGY -1.526547177181e+02
+FORCES  7.3360000000e-04  1.8298000000e-03  4.8994000000e-03  3.6946000000e-03 -6.1040000000e-04 -2.2007000000e-03 -3.6936000000e-03 -8.2910000000e-04 -2.0945000000e-03 -6.0716000000e-03 -1.0542000000e-03 -1.7913000000e-03  3.0432000000e-03  2.5059000000e-03 -9.2860000000e-04  2.2937000000e-03 -1.8420000000e-03  2.1158000000e-03
+
+JOB 53
+COORDS  1.0118400000e-01 -3.0958000000e-02 -1.7518500000e+00 -6.5564700000e-01 -6.1194700000e-01 -1.8285990000e+00 -8.8990000000e-02  5.1100800000e-01 -9.8612300000e-01  6.4280000000e-03  7.6356000000e-02  1.7125860000e+00 -7.9054000000e-02 -7.0812400000e-01  2.2543570000e+00 -8.0073300000e-01  1.0225800000e-01  1.1987260000e+00
+ENERGY -1.526528535825e+02
+FORCES -1.8298000000e-03 -1.1060000000e-04  3.7316000000e-03  2.7710000000e-03  2.5493000000e-03  1.0644000000e-03 -2.3612000000e-03 -2.2439000000e-03 -3.6426000000e-03 -2.9241000000e-03 -4.9295000000e-03  1.5372000000e-03  2.9100000000e-05  3.6822000000e-03 -2.0366000000e-03  4.3150000000e-03  1.0525000000e-03 -6.5400000000e-04
+
+JOB 54
+COORDS  3.8902500000e-01  1.4380820000e+00 -8.4230500000e-01  4.3035600000e-01  1.3780450000e+00  1.1211600000e-01  1.0911880000e+00  2.0455060000e+00 -1.0751890000e+00 -4.2455200000e-01 -1.4058790000e+00  7.8682400000e-01 -1.1907870000e+00 -1.8447910000e+00  1.1562450000e+00  2.3135100000e-01 -2.0979920000e+00  7.0313400000e-01
+ENERGY -1.526549830873e+02
+FORCES  1.8649000000e-03  6.1870000000e-04  4.2895000000e-03  9.4060000000e-04  3.0828000000e-03 -4.4608000000e-03 -2.6568000000e-03 -2.8525000000e-03  8.5510000000e-04 -7.2990000000e-04 -5.4691000000e-03 -2.2840000000e-04  3.3262000000e-03  1.8648000000e-03 -1.4477000000e-03 -2.7451000000e-03  2.7554000000e-03  9.9230000000e-04
+
+JOB 55
+COORDS  6.5529300000e-01  1.1298740000e+00 -1.1300270000e+00  2.6310300000e-01  3.4930200000e-01 -1.5213420000e+00  3.0235600000e-01  1.8579150000e+00 -1.6415190000e+00 -6.5045200000e-01 -1.0985680000e+00  1.1391190000e+00  3.0359300000e-01 -1.0335860000e+00  1.1816340000e+00 -8.8471800000e-01 -1.6717680000e+00  1.8690450000e+00
+ENERGY -1.526558185365e+02
+FORCES -4.8181000000e-03 -1.6550000000e-04 -3.1380000000e-03  3.1790000000e-03  3.4771000000e-03  7.5790000000e-04  1.5461000000e-03 -2.8114000000e-03  1.6715000000e-03  3.5438000000e-03 -8.4870000000e-04  3.8058000000e-03 -4.4213000000e-03 -2.1941000000e-03 -1.8160000000e-04  9.7050000000e-04  2.5425000000e-03 -2.9156000000e-03
+
+JOB 56
+COORDS -6.9085300000e-01 -1.4678030000e+00 -6.6786900000e-01 -7.8239400000e-01 -1.4451860000e+00  2.8467500000e-01  8.9759000000e-02 -2.0000750000e+00 -8.2137300000e-01  6.4125900000e-01  1.5009350000e+00  6.9024000000e-01  9.2963200000e-01  7.1074200000e-01  2.3343900000e-01  5.6860800000e-01  2.1627120000e+00  2.4870000000e-03
+ENERGY -1.526560536471e+02
+FORCES  1.6600000000e-05 -3.5960000000e-03  3.7112000000e-03  1.5537000000e-03 -4.7650000000e-04 -4.8750000000e-03 -2.6006000000e-03  3.8051000000e-03  8.7940000000e-04 -5.0890000000e-04 -9.0690000000e-04 -6.5328000000e-03  7.2150000000e-04  3.2299000000e-03  3.7978000000e-03  8.1760000000e-04 -2.0555000000e-03  3.0194000000e-03
+
+JOB 57
+COORDS  8.1483300000e-01  1.3031200000e-01 -1.5798200000e+00  2.8106000000e-02  1.0933100000e-01 -1.0349800000e+00  7.6109000000e-01 -6.6505000000e-01 -2.1096720000e+00 -7.6974700000e-01 -2.1478000000e-02  1.5560910000e+00  2.0501000000e-02 -5.1912800000e-01  1.7660540000e+00 -1.4880600000e+00 -6.3443500000e-01  1.7127480000e+00
+ENERGY -1.526577639867e+02
+FORCES -4.5837000000e-03 -2.0095000000e-03  1.2137000000e-03  4.7030000000e-03 -9.9690000000e-04 -5.6930000000e-03  2.0170000000e-04  2.7793000000e-03  2.3961000000e-03  6.8090000000e-04 -4.1319000000e-03  4.9114000000e-03 -4.3829000000e-03  1.8257000000e-03 -1.3401000000e-03  3.3810000000e-03  2.5334000000e-03 -1.4881000000e-03
+
+JOB 58
+COORDS -1.0629110000e+00  1.4370200000e+00 -2.8434200000e-01 -1.4539320000e+00  1.2246080000e+00 -1.1318180000e+00 -1.2702380000e+00  6.8530200000e-01  2.7078700000e-01  1.0607100000e+00 -1.4304090000e+00  3.3653800000e-01  1.9454250000e+00 -1.5164020000e+00 -1.8591000000e-02  8.2733900000e-01 -5.1531500000e-01  1.8042000000e-01
+ENERGY -1.526571912791e+02
+FORCES -5.7724000000e-03 -2.6281000000e-03 -1.5878000000e-03  2.0132000000e-03  1.0878000000e-03  3.7813000000e-03  3.6046000000e-03  3.3573000000e-03 -3.0222000000e-03  3.7539000000e-03  4.2110000000e-03 -2.4155000000e-03 -3.4623000000e-03  1.4880000000e-04  1.3332000000e-03 -1.3710000000e-04 -6.1768000000e-03  1.9110000000e-03
+
+JOB 59
+COORDS -3.8863200000e-01 -3.2526100000e-01  1.7237010000e+00 -6.1085900000e-01  1.0982000000e-01  2.5468360000e+00 -9.9256000000e-01 -1.0661740000e+00  1.6732020000e+00  3.9196900000e-01  3.0186700000e-01 -1.7844430000e+00  4.3975100000e-01  7.0227500000e-01 -9.1632800000e-01  1.1270080000e+00  6.8255000000e-01 -2.2651000000e+00
+ENERGY -1.526570695731e+02
+FORCES -4.0901000000e-03 -2.6764000000e-03  3.6076000000e-03  9.9320000000e-04 -1.7547000000e-03 -3.5326000000e-03  2.4199000000e-03  3.3134000000e-03  1.1455000000e-03  2.8345000000e-03  2.6363000000e-03  3.3527000000e-03  6.3100000000e-04 -1.6050000000e-04 -6.4449000000e-03 -2.7885000000e-03 -1.3581000000e-03  1.8717000000e-03
+
+JOB 60
+COORDS -2.2398300000e-01 -1.5789790000e+00 -1.0579530000e+00 -7.0507500000e-01 -1.2791860000e+00 -2.8665100000e-01 -9.0433000000e-01 -1.8377840000e+00 -1.6795480000e+00  2.5409000000e-01  1.5189350000e+00  1.0551840000e+00  2.7791500000e-01  2.1301140000e+00  3.1889300000e-01  9.3717400000e-01  1.8312730000e+00  1.6485420000e+00
+ENERGY -1.526558088956e+02
+FORCES -4.3551000000e-03  9.3680000000e-04  2.0194000000e-03  1.0181000000e-03 -3.0855000000e-03 -4.3658000000e-03  2.7208000000e-03  1.2613000000e-03  2.3085000000e-03  3.9671000000e-03  3.8722000000e-03 -1.0720000000e-03 -4.5650000000e-04 -1.9974000000e-03  3.4750000000e-03 -2.8943000000e-03 -9.8750000000e-04 -2.3651000000e-03
+
+JOB 61
+COORDS  1.8545400000e-01  7.5062000000e-02  1.9560620000e+00 -3.6462600000e-01 -3.8869500000e-01  1.3247350000e+00  1.0792120000e+00 -6.2406000000e-02  1.6421660000e+00 -1.7505800000e-01 -5.2458000000e-02 -1.8394200000e+00  8.4970000000e-03  6.3476700000e-01 -2.4799370000e+00 -8.7169900000e-01 -5.7318900000e-01 -2.2391230000e+00
+ENERGY -1.526563412371e+02
+FORCES  1.3687000000e-03 -2.0269000000e-03 -6.2382000000e-03  1.2943000000e-03  8.5550000000e-04  4.6112000000e-03 -2.8045000000e-03  5.2180000000e-04  2.4738000000e-03 -1.9460000000e-03  1.7991000000e-03 -5.3064000000e-03 -7.9540000000e-04 -3.2298000000e-03  2.2843000000e-03  2.8829000000e-03  2.0803000000e-03  2.1754000000e-03
+
+JOB 62
+COORDS  1.6239400000e-01  9.4929700000e-01 -1.6205360000e+00  6.7393600000e-01  1.5112400000e+00 -2.2025800000e+00 -2.6841000000e-02  1.7057800000e-01 -2.1440040000e+00 -1.3848700000e-01 -9.7693900000e-01  1.7011050000e+00 -3.7148000000e-02 -2.6171600000e-01  1.0730780000e+00 -1.0090680000e+00 -8.4511400000e-01  2.0765280000e+00
+ENERGY -1.526576311897e+02
+FORCES  1.9137000000e-03 -2.4370000000e-04 -5.9549000000e-03 -2.3446000000e-03 -2.5155000000e-03  2.0041000000e-03  7.4240000000e-04  3.5918000000e-03  2.3598000000e-03 -2.5982000000e-03  4.5290000000e-03 -1.8251000000e-03 -9.3030000000e-04 -4.6182000000e-03  4.7406000000e-03  3.2170000000e-03 -7.4330000000e-04 -1.3244000000e-03
+
+JOB 63
+COORDS  4.4545900000e-01  1.3738540000e+00 -1.2758480000e+00  1.3087690000e+00  1.6037090000e+00 -9.3220000000e-01  4.4060900000e-01  1.7243460000e+00 -2.1665580000e+00 -5.2693800000e-01 -1.4155050000e+00  1.3690090000e+00 -1.0022170000e+00 -1.5138450000e+00  5.4398100000e-01  3.7573200000e-01 -1.2358960000e+00  1.1060270000e+00
+ENERGY -1.526552601299e+02
+FORCES  3.3479000000e-03  3.7141000000e-03 -2.4710000000e-03 -3.4934000000e-03 -1.6514000000e-03 -1.4276000000e-03  3.1800000000e-05 -1.5657000000e-03  3.7937000000e-03  1.5347000000e-03  1.9110000000e-03 -5.8043000000e-03  1.3338000000e-03 -9.9620000000e-04  3.8355000000e-03 -2.7547000000e-03 -1.4119000000e-03  2.0737000000e-03
+
+JOB 64
+COORDS  1.3145590000e+00 -8.3592600000e-01 -1.2512040000e+00  5.9420500000e-01 -2.2385200000e-01 -1.4018240000e+00  1.9848470000e+00 -5.7809300000e-01 -1.8840290000e+00 -1.2486390000e+00  7.7515800000e-01  1.2581140000e+00 -1.6620910000e+00  1.7681400000e-01  1.8804280000e+00 -1.8235140000e+00  1.5403470000e+00  1.2427640000e+00
+ENERGY -1.526550612324e+02
+FORCES -1.1095000000e-03  4.2509000000e-03 -1.9462000000e-03  3.8234000000e-03 -3.0397000000e-03 -1.4152000000e-03 -2.6112000000e-03 -1.0093000000e-03  2.4623000000e-03 -3.9620000000e-03  6.2100000000e-05  3.7551000000e-03  1.3211000000e-03  2.9189000000e-03 -2.5103000000e-03  2.5383000000e-03 -3.1829000000e-03 -3.4570000000e-04
+
+JOB 65
+COORDS -1.2409870000e+00 -4.4965900000e-01  1.5908900000e+00 -1.6564060000e+00  3.7936400000e-01  1.8283360000e+00 -3.8478800000e-01 -4.1999600000e-01  2.0178280000e+00  1.1515900000e+00  3.8342300000e-01 -1.6351460000e+00  1.6370330000e+00  9.1459700000e-01 -1.0039310000e+00  1.8174280000e+00  6.9529000000e-02 -2.2469970000e+00
+ENERGY -1.526527882950e+02
+FORCES  1.9314000000e-03  3.4111000000e-03  1.7189000000e-03  1.7654000000e-03 -3.3466000000e-03 -7.2160000000e-04 -3.3674000000e-03  8.4100000000e-05 -1.3206000000e-03  4.4020000000e-03  6.4330000000e-04  1.6300000000e-05 -1.9155000000e-03 -2.0870000000e-03 -2.2772000000e-03 -2.8160000000e-03  1.2951000000e-03  2.5843000000e-03
+
+JOB 66
+COORDS -8.2773900000e-01 -7.2799200000e-01  1.8584170000e+00 -1.0222320000e+00 -2.7611800000e-01  1.0373110000e+00 -1.6077550000e+00 -1.2545600000e+00  2.0331570000e+00  9.0788900000e-01  7.9908000000e-01 -1.8037760000e+00  1.3007440000e+00 -2.6207000000e-02 -1.5195260000e+00  1.5269700000e-01  5.3664800000e-01 -2.3301280000e+00
+ENERGY -1.526548128270e+02
+FORCES -4.0212000000e-03  6.1460000000e-04 -2.2665000000e-03  3.8570000000e-04 -3.0820000000e-03  3.4887000000e-03  3.2443000000e-03  2.0906000000e-03 -9.2740000000e-04  3.4900000000e-05 -4.3740000000e-03 -1.8280000000e-03 -2.2931000000e-03  3.6806000000e-03 -1.3971000000e-03  2.6494000000e-03  1.0702000000e-03  2.9302000000e-03
+
+JOB 67
+COORDS -3.3502000000e-02  1.7800680000e+00 -1.1894320000e+00 -5.0724800000e-01  1.0664680000e+00 -1.6167150000e+00  2.0216400000e-01  2.3728440000e+00 -1.9030910000e+00  6.5690000000e-02 -1.8286630000e+00  1.2082760000e+00  2.0355400000e-01 -8.8863200000e-01  1.0918030000e+00 -4.1287800000e-01 -1.9005210000e+00  2.0341340000e+00
+ENERGY -1.526559824440e+02
+FORCES -8.2170000000e-04  8.2300000000e-05 -5.5200000000e-03  2.1107000000e-03  3.1376000000e-03  2.2780000000e-03 -1.1628000000e-03 -2.4254000000e-03  2.7895000000e-03 -8.7900000000e-04  4.0939000000e-03  3.1425000000e-03 -1.0943000000e-03 -5.0352000000e-03  5.9730000000e-04  1.8471000000e-03  1.4680000000e-04 -3.2873000000e-03
+
+JOB 68
+COORDS -5.4754300000e-01  4.9538500000e-01 -2.0711580000e+00 -1.3035190000e+00 -9.1646000000e-02 -2.0598470000e+00 -9.2166600000e-01  1.3658740000e+00 -2.2072180000e+00  5.6656200000e-01 -5.2520100000e-01  2.0404740000e+00  1.1312020000e+00  2.4555900000e-01  2.0982920000e+00  8.8889000000e-01 -1.1107650000e+00  2.7256390000e+00
+ENERGY -1.526537759926e+02
+FORCES -4.8303000000e-03  5.1870000000e-04  3.7440000000e-04  2.8889000000e-03  2.5576000000e-03 -7.8110000000e-04  1.7019000000e-03 -3.3463000000e-03  4.9860000000e-04  4.0260000000e-03  1.0903000000e-03  2.2624000000e-03 -2.3296000000e-03 -3.1193000000e-03  4.5990000000e-04 -1.4569000000e-03  2.2989000000e-03 -2.8142000000e-03
+
+JOB 69
+COORDS  1.0858280000e+00 -5.1914100000e-01 -1.9640380000e+00  2.1766800000e-01 -5.8006400000e-01 -1.5655170000e+00  9.4571400000e-01 -2.1498000000e-02 -2.7696130000e+00 -1.0809880000e+00  5.2244000000e-01  1.9550420000e+00 -6.2919400000e-01  7.9453400000e-01  2.7538400000e+00 -6.2116800000e-01 -2.6979200000e-01  1.6772530000e+00
+ENERGY -1.526546430751e+02
+FORCES -4.3562000000e-03  2.4989000000e-03 -2.0842000000e-03  3.8806000000e-03 -4.9580000000e-04 -1.0835000000e-03  6.9500000000e-04 -2.1999000000e-03  3.1262000000e-03  4.2916000000e-03 -1.8345000000e-03  2.8304000000e-03 -2.0665000000e-03 -1.1544000000e-03 -3.1340000000e-03 -2.4445000000e-03  3.1857000000e-03  3.4520000000e-04
+
+JOB 70
+COORDS -9.2276000000e-02 -1.9975200000e+00 -1.1225170000e+00 -5.2486100000e-01 -1.2999900000e+00 -1.6150140000e+00 -7.9731300000e-01 -2.6038730000e+00 -8.9560100000e-01  1.1369700000e-01  2.0173460000e+00  1.1815700000e+00  6.6844100000e-01  2.4841060000e+00  5.5656900000e-01  2.3343200000e-01  1.0927200000e+00  9.6486600000e-01
+ENERGY -1.526553945972e+02
+FORCES -5.0993000000e-03 -8.4040000000e-04 -1.7971000000e-03  2.2423000000e-03 -2.4699000000e-03  2.6190000000e-03  3.0033000000e-03  2.6432000000e-03 -9.9150000000e-04  3.3326000000e-03 -2.3572000000e-03 -3.0189000000e-03 -2.4623000000e-03 -1.7433000000e-03  2.3350000000e-03 -1.0166000000e-03  4.7676000000e-03  8.5350000000e-04
+
+JOB 71
+COORDS  1.5833900000e+00 -1.5451440000e+00 -7.8744500000e-01  1.7418000000e+00 -2.4768200000e+00 -6.3539900000e-01  6.5412600000e-01 -1.4930690000e+00 -1.0110240000e+00 -1.5977420000e+00  1.5569700000e+00  7.6989100000e-01 -7.0952200000e-01  1.2200590000e+00  8.8731300000e-01 -1.5334370000e+00  2.4857890000e+00  9.9213400000e-01
+ENERGY -1.526553453138e+02
+FORCES -3.0585000000e-03 -4.2145000000e-03 -8.8940000000e-04 -6.2830000000e-04  3.8356000000e-03 -6.4050000000e-04  4.1743000000e-03  6.2400000000e-05  1.4515000000e-03  4.2035000000e-03  2.7833000000e-03  1.6098000000e-03 -4.3331000000e-03  1.2545000000e-03 -7.0230000000e-04 -3.5790000000e-04 -3.7213000000e-03 -8.2910000000e-04
+
+JOB 72
+COORDS  1.0141540000e+00  6.3268100000e-01 -2.2960470000e+00  1.7038450000e+00  1.1930070000e+00 -1.9402470000e+00  2.8966900000e-01  7.2122500000e-01 -1.6767630000e+00 -9.4871900000e-01 -6.5816000000e-01  2.2665760000e+00 -1.5349490000e+00 -1.3972510000e+00  2.4287810000e+00 -1.4703470000e+00 -4.8048000000e-02  1.7451350000e+00
+ENERGY -1.526539792605e+02
+FORCES  2.8000000000e-04  2.3029000000e-03  4.4496000000e-03 -2.8850000000e-03 -2.0984000000e-03 -1.6901000000e-03  2.4048000000e-03 -6.8200000000e-05 -2.7417000000e-03 -4.7783000000e-03 -1.1049000000e-03 -9.5010000000e-04  2.3851000000e-03  3.2030000000e-03 -6.4580000000e-04  2.5934000000e-03 -2.2344000000e-03  1.5780000000e-03
+
+JOB 73
+COORDS  3.9247500000e-01  2.5106830000e+00  1.8134600000e-01  1.0267310000e+00  2.8961180000e+00 -4.2312900000e-01  8.1864200000e-01  2.5557300000e+00  1.0372580000e+00 -4.5307000000e-01 -2.5597420000e+00 -2.4964900000e-01 -4.4168400000e-01 -3.0619330000e+00  5.6515600000e-01 -4.1610000000e-01 -1.6454780000e+00  3.1398000000e-02
+ENERGY -1.526549175633e+02
+FORCES  4.4817000000e-03  2.5636000000e-03  6.6280000000e-04 -2.6080000000e-03 -1.5799000000e-03  2.6759000000e-03 -1.8599000000e-03 -5.9800000000e-04 -3.4932000000e-03 -7.3000000000e-06  2.2849000000e-03  4.2344000000e-03  3.8100000000e-05  1.9431000000e-03 -3.2020000000e-03 -4.4600000000e-05 -4.6137000000e-03 -8.7780000000e-04
+
+JOB 74
+COORDS  1.2823300000e+00  1.8585440000e+00 -1.5089980000e+00  2.0331800000e+00  2.0426970000e+00 -2.0733940000e+00  1.3674280000e+00  2.4800350000e+00 -7.8599200000e-01 -1.3522660000e+00 -1.8620730000e+00  1.5515980000e+00 -1.6034960000e+00 -2.7660530000e+00  1.3620280000e+00 -7.0022200000e-01 -1.6491620000e+00  8.8396100000e-01
+ENERGY -1.526547972431e+02
+FORCES  3.3471000000e-03  3.7283000000e-03  5.8960000000e-04 -3.0594000000e-03 -8.2090000000e-04  2.3268000000e-03 -2.2320000000e-04 -2.6613000000e-03 -3.0390000000e-03  1.7126000000e-03 -2.4710000000e-03 -3.9074000000e-03  9.8700000000e-04  3.5422000000e-03  8.4870000000e-04 -2.7640000000e-03 -1.3173000000e-03  3.1812000000e-03
+
+JOB 75
+COORDS  1.4157910000e+00  1.5622080000e+00 -1.8027210000e+00  1.3965680000e+00  9.3987800000e-01 -1.0756950000e+00  2.3339400000e+00  1.8243170000e+00 -1.8700470000e+00 -1.5012520000e+00 -1.5024190000e+00  1.7158030000e+00 -9.3708500000e-01 -2.2554970000e+00  1.5402460000e+00 -1.5281620000e+00 -1.4401230000e+00  2.6705940000e+00
+ENERGY -1.526541337668e+02
+FORCES  3.1813000000e-03 -1.5173000000e-03  2.9512000000e-03  6.8000000000e-04  2.5480000000e-03 -3.2364000000e-03 -3.6823000000e-03 -1.0858000000e-03  2.6320000000e-04  1.5835000000e-03 -3.0462000000e-03  3.3681000000e-03 -2.0164000000e-03  3.3588000000e-03  6.4100000000e-04  2.5390000000e-04 -2.5730000000e-04 -3.9871000000e-03
+
+JOB 76
+COORDS -1.5051740000e+00  8.0696500000e-01  2.1780850000e+00 -2.3326210000e+00  1.2650820000e+00  2.3253670000e+00 -1.1446740000e+00  1.2105050000e+00  1.3885110000e+00  1.5320260000e+00 -9.1055600000e-01 -2.1336470000e+00  2.1953850000e+00 -3.9298100000e-01 -2.5900490000e+00  8.7488300000e-01 -2.7069500000e-01 -1.8598320000e+00
+ENERGY -1.526533864282e+02
+FORCES -2.0422000000e-03  3.4651000000e-03 -2.3102000000e-03  3.4829000000e-03 -1.8805000000e-03 -6.6490000000e-04 -1.3375000000e-03 -1.7053000000e-03  2.8091000000e-03  1.4390000000e-04  4.4725000000e-03 -7.1950000000e-04 -2.8171000000e-03 -2.0811000000e-03  1.9065000000e-03  2.5701000000e-03 -2.2707000000e-03 -1.0209000000e-03
+
+JOB 77
+COORDS -2.9207000000e-02  2.8911670000e+00  1.2130500000e-01  4.3850500000e-01  2.8124180000e+00 -7.1012500000e-01 -8.4608500000e-01  2.4116370000e+00 -1.6513000000e-02  2.5887000000e-02 -2.9016610000e+00 -2.2876000000e-02  2.5062200000e-01 -1.9751620000e+00  6.2710000000e-02  1.8369700000e-01 -3.1026660000e+00 -9.4533200000e-01
+ENERGY -1.526539512854e+02
+FORCES -1.7192000000e-03 -1.5258000000e-03 -3.9224000000e-03 -1.8856000000e-03 -7.8500000000e-05  3.5032000000e-03  3.6970000000e-03  1.6327000000e-03  5.1150000000e-04  1.8636000000e-03  2.7814000000e-03 -3.1304000000e-03 -1.2174000000e-03 -3.7866000000e-03 -6.9490000000e-04 -7.3850000000e-04  9.7680000000e-04  3.7331000000e-03
+
+JOB 78
+COORDS  2.1942410000e+00 -1.9376600000e-01 -1.9411580000e+00  1.2851570000e+00 -3.8022000000e-01 -2.1757480000e+00  2.3056740000e+00  7.3722100000e-01 -2.1337140000e+00 -2.1771140000e+00  2.0858400000e-01  1.9555830000e+00 -2.5148890000e+00 -5.1018100000e-01  2.4899200000e+00 -1.3517260000e+00 -1.2273600000e-01  1.6017570000e+00
+ENERGY -1.526544699826e+02
+FORCES -3.0255000000e-03  3.2461000000e-03 -2.2265000000e-03  3.6739000000e-03  6.3080000000e-04  1.3566000000e-03 -4.6920000000e-04 -3.9019000000e-03  8.5690000000e-04  2.1470000000e-03 -4.3292000000e-03  1.0725000000e-03  1.3198000000e-03  2.9327000000e-03 -2.2297000000e-03 -3.6461000000e-03  1.4214000000e-03  1.1702000000e-03
+
+JOB 79
+COORDS  6.1109000000e-01 -3.1503100000e-01 -2.9304000000e+00 -3.2587200000e-01 -3.7935600000e-01 -2.7454770000e+00  1.0108060000e+00 -9.9029800000e-01 -2.3822460000e+00 -5.3543100000e-01  3.3428400000e-01  2.8503830000e+00 -6.3712200000e-01  1.5329100000e-01  3.7847990000e+00 -1.2704120000e+00  9.0874100000e-01  2.6358280000e+00
+ENERGY -1.526543727220e+02
+FORCES -2.0586000000e-03 -2.9854000000e-03  3.5005000000e-03  3.6389000000e-03  3.2000000000e-04 -9.8910000000e-04 -1.5946000000e-03  2.6080000000e-03 -2.5883000000e-03 -3.2831000000e-03  1.8793000000e-03  3.1378000000e-03  3.8040000000e-04  6.9980000000e-04 -3.8563000000e-03  2.9170000000e-03 -2.5217000000e-03  7.9540000000e-04
+
+JOB 80
+COORDS  9.1068600000e-01 -1.9127620000e+00  2.2573770000e+00  6.8860700000e-01 -1.8286190000e+00  1.3301050000e+00  1.2633990000e+00 -1.0561700000e+00  2.4983650000e+00 -9.0006400000e-01  1.8066450000e+00 -2.2495100000e+00 -1.3903600000e+00  2.5345190000e+00 -2.6316640000e+00 -7.4289800000e-01  2.0725810000e+00 -1.3435250000e+00
+ENERGY -1.526541620699e+02
+FORCES  6.1050000000e-04  3.5805000000e-03 -3.0139000000e-03  9.1960000000e-04 -2.0070000000e-04  4.0521000000e-03 -1.5400000000e-03 -3.3364000000e-03 -9.5050000000e-04 -1.6430000000e-03  4.3397000000e-03  1.8125000000e-03  2.0620000000e-03 -2.9804000000e-03  1.6250000000e-03 -4.0910000000e-04 -1.4027000000e-03 -3.5252000000e-03
+
+JOB 81
+COORDS -1.9196520000e+00 -4.3529900000e-01 -2.6414360000e+00 -1.7999310000e+00 -1.3812820000e+00 -2.5576880000e+00 -1.5061550000e+00 -7.0854000000e-02 -1.8588550000e+00  1.8595110000e+00  4.7626500000e-01  2.6416590000e+00  2.0535610000e+00  1.0126010000e+00  1.8729470000e+00  2.3556330000e+00 -3.3047500000e-01  2.5028610000e+00
+ENERGY -1.526541031375e+02
+FORCES  1.8866000000e-03 -2.4026000000e-03  3.6956000000e-03 -3.7250000000e-04  3.8666000000e-03 -4.0660000000e-04 -1.4572000000e-03 -1.4534000000e-03 -3.3697000000e-03  3.2284000000e-03 -9.1760000000e-04 -3.3419000000e-03 -1.0665000000e-03 -2.3689000000e-03  2.9988000000e-03 -2.2188000000e-03  3.2758000000e-03  4.2380000000e-04
+
+JOB 82
+COORDS  1.7078520000e+00  4.9795700000e-01 -2.9083320000e+00  1.9574460000e+00 -1.7663200000e-01 -2.2767740000e+00  2.5332570000e+00  9.1888800000e-01 -3.1486530000e+00 -1.7705410000e+00 -5.6020300000e-01  2.8871570000e+00 -1.1273210000e+00  7.0900000000e-03  3.3122190000e+00 -2.3882460000e+00  4.3918000000e-02  2.4751960000e+00
+ENERGY -1.526542490963e+02
+FORCES  4.3488000000e-03 -1.2398000000e-03  1.5707000000e-03 -9.3040000000e-04  2.8900000000e-03 -2.6181000000e-03 -3.3721000000e-03 -1.6569000000e-03  1.0111000000e-03 -3.3900000000e-05  4.8720000000e-03 -6.9400000000e-05 -2.5280000000e-03 -2.3735000000e-03 -1.7020000000e-03  2.5156000000e-03 -2.4918000000e-03  1.8077000000e-03
+
+JOB 83
+COORDS  1.6438540000e+00  7.2060400000e-01 -2.9639980000e+00  2.0271860000e+00  7.4293000000e-02 -2.3710640000e+00  2.3720580000e+00  9.9793000000e-01 -3.5199130000e+00 -1.7062650000e+00 -7.1777500000e-01  3.0283390000e+00 -1.2155520000e+00 -2.8316000000e-02  2.5810360000e+00 -2.3034610000e+00 -1.0580990000e+00  2.3621790000e+00
+ENERGY -1.526543524203e+02
+FORCES  4.7042000000e-03 -1.4941000000e-03 -8.1600000000e-05 -1.7219000000e-03  2.6869000000e-03 -2.2916000000e-03 -2.9831000000e-03 -1.1470000000e-03  2.3027000000e-03 -5.7580000000e-04  1.5706000000e-03 -4.6240000000e-03 -1.8846000000e-03 -2.9101000000e-03  1.9183000000e-03  2.4611000000e-03  1.2937000000e-03  2.7763000000e-03
+
+JOB 84
+COORDS  3.5254600000e-01 -3.7493120000e+00 -1.0516300000e+00  7.8038100000e-01 -3.4771620000e+00 -1.8634940000e+00  5.2094100000e-01 -3.0327490000e+00 -4.3973700000e-01 -3.8259600000e-01  3.6618480000e+00  1.1163160000e+00 -9.8022100000e-01  3.5499050000e+00  3.7702900000e-01  1.7817800000e-01  4.3949590000e+00  8.6271600000e-01
+ENERGY -1.526542006264e+02
+FORCES  2.4633000000e-03  4.0647000000e-03 -6.6500000000e-04 -1.7670000000e-03 -1.1076000000e-03  3.2429000000e-03 -6.9480000000e-04 -2.9860000000e-03 -2.6106000000e-03 -2.8550000000e-04  2.7426000000e-03 -3.9495000000e-03  2.5417000000e-03  3.5350000000e-04  2.9844000000e-03 -2.2576000000e-03 -3.0672000000e-03  9.9780000000e-04
+
+JOB 85
+COORDS -2.5151070000e+00  1.5543750000e+00 -2.9100940000e+00 -3.1371450000e+00  1.3286020000e+00 -2.2184820000e+00 -1.8587910000e+00  2.0981440000e+00 -2.4744380000e+00  2.4993230000e+00 -1.6056950000e+00  2.7916260000e+00  2.1199270000e+00 -1.7293720000e+00  3.6616810000e+00  3.1340510000e+00 -8.9822800000e-01  2.9049460000e+00
+ENERGY -1.526540632699e+02
+FORCES  2.6520000000e-04  1.1229000000e-03  4.6715000000e-03  2.4561000000e-03  9.9780000000e-04 -2.8424000000e-03 -2.7254000000e-03 -2.1000000000e-03 -1.8102000000e-03  1.1601000000e-03  2.2565000000e-03  4.0337000000e-03  1.5011000000e-03  5.5870000000e-04 -3.5757000000e-03 -2.6572000000e-03 -2.8359000000e-03 -4.7690000000e-04
+
+JOB 86
+COORDS  8.4580800000e-01  4.1371280000e+00 -2.0497800000e-01 -8.2123000000e-02  4.2522460000e+00 -4.0973200000e-01  8.8626000000e-01  3.3045060000e+00  2.6548500000e-01 -8.4727400000e-01 -4.1509650000e+00  1.8582500000e-01 -5.0374800000e-01 -3.5235110000e+00 -4.5019600000e-01 -4.4385500000e-01 -3.8966610000e+00  1.0157730000e+00
+ENERGY -1.526539360283e+02
+FORCES -3.6745000000e-03 -2.7581000000e-03  1.1055000000e-03  3.8315000000e-03 -5.4460000000e-04  8.3930000000e-04 -1.3830000000e-04  3.2737000000e-03 -1.9542000000e-03  3.1193000000e-03  3.4098000000e-03  7.5060000000e-04 -1.4522000000e-03 -2.4525000000e-03  2.6655000000e-03 -1.6858000000e-03 -9.2820000000e-04 -3.4067000000e-03
+
+JOB 87
+COORDS -7.7898200000e-01 -1.5493670000e+00  4.5925960000e+00 -1.1437610000e+00 -1.3368420000e+00  5.4516660000e+00 -5.6399700000e-01 -2.4805340000e+00  4.6468430000e+00  7.8143900000e-01  1.6604830000e+00 -4.6389270000e+00  5.2201100000e-01  1.0169320000e+00 -3.9795560000e+00  1.1214530000e+00  1.1369220000e+00 -5.3645350000e+00
+ENERGY -1.526541161807e+02
+FORCES -6.1640000000e-04 -2.8837000000e-03  3.7916000000e-03  1.4886000000e-03 -8.9180000000e-04 -3.5128000000e-03 -8.7410000000e-04  3.7874000000e-03 -2.6600000000e-04  3.1130000000e-04 -4.7608000000e-03 -1.5220000000e-04  1.0694000000e-03  2.6118000000e-03 -2.7826000000e-03 -1.3789000000e-03  2.1370000000e-03  2.9220000000e-03
+
+JOB 88
+COORDS -4.8606650000e+00  2.9371470000e+00 -2.2054800000e+00 -5.0956460000e+00  3.7804170000e+00 -1.8182970000e+00 -4.2458870000e+00  3.1573750000e+00 -2.9053220000e+00  4.8702500000e+00 -3.0022910000e+00  2.1703890000e+00  5.1261790000e+00 -2.4308620000e+00  2.8944060000e+00  4.0432520000e+00 -3.3924520000e+00  2.4533750000e+00
+ENERGY -1.526541012621e+02
+FORCES  1.5596000000e-03  4.3350000000e-03 -1.3064000000e-03  9.5640000000e-04 -3.4416000000e-03 -1.5633000000e-03 -2.5176000000e-03 -8.9120000000e-04  2.8659000000e-03 -2.3679000000e-03  7.3140000000e-04  4.1005000000e-03 -1.0265000000e-03 -2.3229000000e-03 -2.9524000000e-03  3.3961000000e-03  1.5893000000e-03 -1.1443000000e-03
+
+JOB 89
+COORDS -8.0925260000e+00 -4.5099230000e+00  2.5162200000e-01 -8.1738180000e+00 -3.8173430000e+00 -4.0409000000e-01 -7.1692050000e+00 -4.7606610000e+00  2.2264700000e-01  8.0279300000e+00  4.4330620000e+00 -2.4852200000e-01  7.4662900000e+00  5.1915890000e+00 -8.9054000000e-02  8.8488310000e+00  4.6445850000e+00  1.9601300000e-01
+ENERGY -1.526540916213e+02
+FORCES  3.4453000000e-03  1.8005000000e-03 -2.7957000000e-03  3.2470000000e-04 -2.8229000000e-03  2.6757000000e-03 -3.7716000000e-03  1.0221000000e-03  1.2020000000e-04  1.0705000000e-03  3.9620000000e-03  2.4667000000e-03  2.2833000000e-03 -3.0980000000e-03 -6.5290000000e-04 -3.3522000000e-03 -8.6380000000e-04 -1.8139000000e-03
+
+JOB 0
+COORDS -1.3762200000e-01  7.8267100000e-01  1.0294410000e+00  1.1403000000e-02  1.5889800000e-01  3.1885700000e-01 -4.4129100000e-01  1.5776290000e+00  5.9119400000e-01  1.2066900000e-01 -7.6875100000e-01 -9.1734000000e-01  2.2060000000e-03 -4.7035900000e-01 -1.8190940000e+00  7.2513700000e-01 -1.5077120000e+00 -9.8652900000e-01
+ENERGY -1.526538582407e+02
+FORCES  2.4432000000e-03 -1.5507900000e-02 -2.1717200000e-02 -3.2480000000e-04  2.1831000000e-03  4.0190000000e-03  7.2180000000e-04 -2.6567000000e-03 -7.2550000000e-04 -8.3400000000e-04  1.4168400000e-02  1.5276600000e-02  1.5275000000e-03 -2.6200000000e-03  4.3850000000e-03 -3.5336000000e-03  4.4331000000e-03 -1.2378000000e-03
+
+JOB 1
+COORDS -1.0116600000e+00  6.8982900000e-01  4.5882800000e-01 -8.6282000000e-02  4.5361400000e-01  5.2293400000e-01 -1.0566270000e+00  1.2825390000e+00 -2.9144200000e-01  9.9036900000e-01 -6.7103100000e-01 -4.5985500000e-01  5.1404000000e-02 -8.5692300000e-01 -4.6431800000e-01  1.3312630000e+00 -1.1749240000e+00  2.7914100000e-01
+ENERGY -1.526535709669e+02
+FORCES  1.7359100000e-02 -1.8522000000e-03 -7.1568000000e-03 -7.3329000000e-03 -7.8330000000e-03 -4.3200000000e-05 -4.9410000000e-04 -3.5986000000e-03  2.0035000000e-03 -1.2339800000e-02  7.9810000000e-04  2.6996000000e-03  6.7095000000e-03  6.7445000000e-03  4.2043000000e-03 -3.9018000000e-03  5.7412000000e-03 -1.7075000000e-03
+
+JOB 2
+COORDS -7.4713100000e-01 -2.2496800000e-01  1.1526250000e+00 -3.3801500000e-01 -2.0684700000e-01  2.8745000000e-01 -4.3942800000e-01  5.7414200000e-01  1.5803800000e+00  6.5523300000e-01  2.1166600000e-01 -1.0920980000e+00  1.5957330000e+00  2.4403200000e-01 -9.1704200000e-01  5.6677800000e-01 -4.1056100000e-01 -1.8140680000e+00
+ENERGY -1.526591867578e+02
+FORCES  9.4750000000e-03  5.9103000000e-03 -1.4273100000e-02 -5.1682000000e-03 -3.7424000000e-03  6.2978000000e-03 -3.5200000000e-05 -2.2040000000e-03 -5.9720000000e-04  9.4600000000e-05 -2.5050000000e-03  4.9433000000e-03 -5.0825000000e-03 -2.0730000000e-04 -1.4163000000e-03  7.1630000000e-04  2.7482000000e-03  5.0455000000e-03
+
+JOB 3
+COORDS  1.0972280000e+00  4.9546600000e-01  6.6415300000e-01  1.7110140000e+00 -2.1530500000e-01  8.4936500000e-01  3.9319100000e-01  8.0766000000e-02  1.6556700000e-01 -1.0401730000e+00 -4.3491300000e-01 -6.2004500000e-01 -1.3092060000e+00 -1.1231150000e+00 -1.2285110000e+00 -1.7898520000e+00  1.5908400000e-01 -5.8288000000e-01
+ENERGY -1.526597103827e+02
+FORCES -1.1090900000e-02 -7.6115000000e-03 -7.3102000000e-03 -2.3870000000e-03  1.0589000000e-03 -1.4366000000e-03  5.7570000000e-03  3.8286000000e-03  4.5107000000e-03  5.1071000000e-03  3.1268000000e-03  2.7015000000e-03 -4.4620000000e-04  3.7821000000e-03  2.9547000000e-03  3.0601000000e-03 -4.1848000000e-03 -1.4201000000e-03
+
+JOB 4
+COORDS -2.6855300000e-01 -1.2342760000e+00 -2.1769400000e-01 -1.1096720000e+00 -1.6373990000e+00 -4.3273700000e-01  3.8137100000e-01 -1.8991860000e+00 -4.4512500000e-01  2.3175100000e-01  1.3460970000e+00  2.5356800000e-01  1.0976300000e-01  3.9675800000e-01  2.6388100000e-01  1.1590150000e+00  1.4666980000e+00  4.8947000000e-02
+ENERGY -1.526587036481e+02
+FORCES -1.5680000000e-04  6.5001000000e-03 -4.3790000000e-04  5.0879000000e-03 -4.6000000000e-06  4.9320000000e-04 -3.7373000000e-03  2.9261000000e-03  5.9640000000e-04 -1.2468000000e-03 -1.5006800000e-02 -3.6521000000e-03  2.3819000000e-03  7.2034000000e-03  2.6056000000e-03 -2.3288000000e-03 -1.6182000000e-03  3.9480000000e-04
+
+JOB 5
+COORDS -1.0211420000e+00 -2.1693800000e-01 -9.5099100000e-01 -1.6125550000e+00  4.2539700000e-01 -5.5873200000e-01 -2.0264600000e-01 -1.1793200000e-01 -4.6468500000e-01  9.5647800000e-01  2.0271100000e-01  8.7060100000e-01  1.1949920000e+00 -7.1452800000e-01  7.3637700000e-01  1.6325820000e+00  5.4324300000e-01  1.4563930000e+00
+ENERGY -1.526565498074e+02
+FORCES  6.3481000000e-03  7.3779000000e-03  1.0093600000e-02  3.2240000000e-04 -1.7684000000e-03 -2.0720000000e-03  8.7850000000e-04 -8.5289000000e-03 -1.6860000000e-03 -8.5780000000e-04 -5.2760000000e-04 -1.7520000000e-03 -3.5058000000e-03  6.6540000000e-03 -2.7217000000e-03 -3.1853000000e-03 -3.2070000000e-03 -1.8619000000e-03
+
+JOB 6
+COORDS -3.4551100000e-01  1.3354780000e+00  1.9197500000e-01  3.1642300000e-01  2.0257890000e+00  1.5265500000e-01  1.5621800000e-01  5.2794300000e-01  3.0327500000e-01  2.6798500000e-01 -1.3320220000e+00 -2.5761700000e-01 -4.0999600000e-01 -1.4074620000e+00  4.1386200000e-01  1.0703000000e+00 -1.1482600000e+00  2.3100800000e-01
+ENERGY -1.526515500998e+02
+FORCES  4.1213000000e-03 -8.5053000000e-03 -4.6329000000e-03 -1.2826000000e-03 -4.3649000000e-03 -4.5500000000e-05  1.1473000000e-03  2.6808000000e-03  7.5940000000e-03 -2.5474000000e-03  2.9090000000e-04  3.0749000000e-03  5.3192000000e-03  3.6946000000e-03 -3.4167000000e-03 -6.7578000000e-03  6.2038000000e-03 -2.5739000000e-03
+
+JOB 7
+COORDS  8.0070400000e-01 -1.0392440000e+00 -9.3181000000e-02  5.7639600000e-01 -1.7333860000e+00  5.2656500000e-01  1.7484260000e+00 -1.1141510000e+00 -2.0472700000e-01 -8.2980000000e-01  1.1408400000e+00  2.5955000000e-02 -1.6348240000e+00  9.2881500000e-01  4.9841000000e-01 -2.4863500000e-01  3.9985100000e-01  1.9746000000e-01
+ENERGY -1.526590438655e+02
+FORCES  9.6980000000e-04  2.0172000000e-03  8.1100000000e-05  6.8090000000e-04  4.8815000000e-03 -2.6496000000e-03 -4.9107000000e-03 -1.2157000000e-03  1.0317000000e-03  7.1411000000e-03 -1.1025700000e-02 -4.6530000000e-04  3.2409000000e-03 -1.0595000000e-03 -1.0379000000e-03 -7.1219000000e-03  6.4024000000e-03  3.0400000000e-03
+
+JOB 8
+COORDS -7.8656500000e-01 -1.0812490000e+00 -1.5948300000e-01 -9.4848100000e-01 -1.8107950000e+00 -7.5762800000e-01 -1.4207300000e-01 -1.4192200000e+00  4.6231900000e-01  8.1966100000e-01  1.1307480000e+00  1.3291600000e-01  3.2609000000e-02  5.8849100000e-01  8.0584000000e-02  5.6365800000e-01  1.8731270000e+00  6.8024300000e-01
+ENERGY -1.526599138322e+02
+FORCES  4.3110000000e-03 -1.1287000000e-03 -2.3461000000e-03  1.2616000000e-03  1.6840000000e-03  3.9496000000e-03 -4.0035000000e-03  3.4735000000e-03 -3.4303000000e-03 -7.7572000000e-03 -4.6692000000e-03 -2.5813000000e-03  6.6045000000e-03  4.2572000000e-03  6.0871000000e-03 -4.1640000000e-04 -3.6167000000e-03 -1.6790000000e-03
+
+JOB 9
+COORDS  1.7402800000e-01  1.3028450000e+00 -4.6220500000e-01 -2.4541500000e-01  2.1217790000e+00 -1.9829900000e-01 -1.1540200000e-01  6.6413400000e-01  1.8934000000e-01 -1.7815000000e-01 -1.2851580000e+00  3.9873100000e-01 -5.0002000000e-02 -2.1844510000e+00  9.6934000000e-02  6.5234300000e-01 -1.0502910000e+00  8.1267700000e-01
+ENERGY -1.526554737050e+02
+FORCES -4.8421000000e-03 -6.1824000000e-03  1.8912000000e-03  8.6730000000e-04 -4.1797000000e-03 -3.6110000000e-04  6.4529000000e-03  4.8931000000e-03  2.9451000000e-03  3.7106000000e-03 -5.7890000000e-04 -4.6485000000e-03  3.6710000000e-04  3.2775000000e-03  2.2015000000e-03 -6.5557000000e-03  2.7704000000e-03 -2.0281000000e-03
+
+JOB 10
+COORDS -1.2688900000e+00  4.1106900000e-01 -1.3282800000e-01 -1.4874730000e+00  1.3232950000e+00  5.7694000000e-02 -1.4068050000e+00  3.2318000000e-01 -1.0759540000e+00  1.2812080000e+00 -5.1705500000e-01  1.9374900000e-01  6.9246400000e-01  2.3674900000e-01  2.3106600000e-01  2.1125590000e+00 -1.5718200000e-01 -1.1540700000e-01
+ENERGY -1.526568942804e+02
+FORCES -9.0630000000e-04 -2.0264000000e-03 -4.7501000000e-03  4.4434000000e-03 -4.6409000000e-03 -8.2260000000e-04  3.2110000000e-04  1.8454000000e-03  4.8169000000e-03 -8.7081000000e-03  4.9019000000e-03 -4.7180000000e-04  9.5872000000e-03 -9.6700000000e-05  9.5660000000e-04 -4.7373000000e-03  1.6700000000e-05  2.7110000000e-04
+
+JOB 11
+COORDS -2.4501800000e-01  8.1629900000e-01  1.1285450000e+00  1.3582800000e-01  1.6714570000e+00  1.3282750000e+00  3.5033800000e-01  4.3296200000e-01  4.8446800000e-01  2.3613500000e-01 -8.5182200000e-01 -1.0459130000e+00 -5.1566900000e-01 -1.3784350000e+00 -1.3173920000e+00  2.9099400000e-01 -1.5616100000e-01 -1.7011060000e+00
+ENERGY -1.526576493902e+02
+FORCES  3.2658000000e-03 -5.7452000000e-03 -5.7481000000e-03 -6.8390000000e-04 -3.6325000000e-03 -3.0230000000e-03  3.2890000000e-04  8.4319000000e-03  4.4660000000e-03 -7.5169000000e-03  9.0000000000e-04  3.4300000000e-05  3.9893000000e-03  2.0096000000e-03 -8.4690000000e-04  6.1680000000e-04 -1.9639000000e-03  5.1177000000e-03
+
+JOB 12
+COORDS  4.1594000000e-01  1.2840640000e+00 -8.9508000000e-02  8.8758800000e-01  1.1392970000e+00 -9.0976500000e-01  2.5573500000e-01  2.2275190000e+00 -6.8083000000e-02 -4.8471500000e-01 -1.3653440000e+00  1.2788300000e-01  2.7482000000e-01 -1.3816420000e+00 -4.5441700000e-01 -2.7245700000e-01 -6.9812700000e-01  7.8056900000e-01
+ENERGY -1.526550213539e+02
+FORCES -9.5560000000e-04 -2.0600000000e-05 -4.3700000000e-03 -1.3061000000e-03 -2.5430000000e-04  3.9783000000e-03  3.9570000000e-04 -4.4953000000e-03 -4.1320000000e-04  5.2513000000e-03  1.1369300000e-02 -2.7790000000e-04 -1.8046000000e-03 -5.7170000000e-04  1.0750000000e-04 -1.5807000000e-03 -6.0274000000e-03  9.7540000000e-04
+
+JOB 13
+COORDS -3.3287200000e-01 -1.0899000000e+00 -8.1001100000e-01 -4.9382000000e-01 -1.9319350000e+00 -1.2358090000e+00 -3.2057500000e-01 -1.2924700000e+00  1.2542800000e-01  4.0837100000e-01  1.1343190000e+00  7.7879800000e-01  3.2594000000e-02  1.8247920000e+00  1.3249390000e+00 -3.2019400000e-01  8.3558200000e-01  2.3457300000e-01
+ENERGY -1.526578345451e+02
+FORCES  1.8385000000e-03 -3.9258000000e-03  1.9667000000e-03  1.3479000000e-03  2.9354000000e-03  2.6715000000e-03 -3.0545000000e-03  2.3090000000e-03 -5.4035000000e-03 -3.5495000000e-03  1.0236000000e-03 -4.1806000000e-03  9.7470000000e-04 -3.2641000000e-03 -2.5669000000e-03  2.4429000000e-03  9.2190000000e-04  7.5129000000e-03
+
+JOB 14
+COORDS -1.3212810000e+00 -3.1020400000e-01  5.9165800000e-01 -1.3408560000e+00 -5.8496200000e-01 -3.2505200000e-01 -5.9221500000e-01 -7.9917800000e-01  9.7323300000e-01  1.2368890000e+00  3.5535700000e-01 -6.1417500000e-01  2.1350200000e+00  2.6936000000e-02 -5.7255000000e-01  1.0593400000e+00  6.8110700000e-01  2.6820500000e-01
+ENERGY -1.526559162587e+02
+FORCES  6.4894000000e-03 -3.4047000000e-03 -7.1887000000e-03 -2.9679000000e-03  1.3700000000e-04  4.1828000000e-03 -1.6067000000e-03  3.4986000000e-03  1.0593000000e-03 -4.6200000000e-05  2.8821000000e-03  4.1063000000e-03 -4.9715000000e-03  4.2600000000e-04  8.3010000000e-04  3.1029000000e-03 -3.5390000000e-03 -2.9899000000e-03
+
+JOB 15
+COORDS  1.2308310000e+00  6.3327500000e-01  3.4723400000e-01  2.1588780000e+00  4.0525700000e-01  4.0171000000e-01  1.1615020000e+00  1.4688680000e+00  8.0898000000e-01 -1.3378640000e+00 -6.4591200000e-01 -4.1398400000e-01 -1.1564640000e+00 -4.8806100000e-01  5.1252000000e-01 -5.4714000000e-01 -1.0725820000e+00 -7.4404500000e-01
+ENERGY -1.526559152884e+02
+FORCES  2.1445000000e-03  4.1846000000e-03  1.0475000000e-03 -4.7510000000e-03  3.9080000000e-04 -7.6820000000e-04  4.5660000000e-04 -4.3028000000e-03 -1.3039000000e-03  1.0455300000e-02  2.4521000000e-03  3.3817000000e-03 -4.0848000000e-03 -1.0852000000e-03 -1.7132000000e-03 -4.2206000000e-03 -1.6395000000e-03 -6.4390000000e-04
+
+JOB 16
+COORDS -8.0291900000e-01  1.9649000000e-01  1.1947250000e+00 -6.9259400000e-01 -7.5293900000e-01  1.1432890000e+00 -7.8482900000e-01  3.8976400000e-01  2.1320340000e+00  8.5707600000e-01 -1.4612700000e-01 -1.2316690000e+00  5.2491000000e-01 -4.4142000000e-01 -2.0794310000e+00  7.1399000000e-02  4.6061000000e-02 -7.1980400000e-01
+ENERGY -1.526586142269e+02
+FORCES  2.4399000000e-03 -1.3605000000e-03  5.4193000000e-03 -9.1180000000e-04  5.5850000000e-03 -2.1299000000e-03 -6.4370000000e-04 -2.1028000000e-03 -3.3944000000e-03 -4.7529000000e-03  3.1506000000e-03  1.7304000000e-03  4.5490000000e-04  8.1210000000e-04  3.9610000000e-03  3.4136000000e-03 -6.0842000000e-03 -5.5865000000e-03
+
+JOB 17
+COORDS -9.6534900000e-01 -7.5187000000e-02 -1.0856640000e+00 -1.6152920000e+00 -5.4464000000e-01 -5.6276900000e-01 -1.0295220000e+00 -4.6709400000e-01 -1.9565960000e+00  9.5366400000e-01  9.0836000000e-02  1.1447130000e+00  7.6315500000e-01  1.7078000000e-01  2.1007500000e-01  1.8600190000e+00  3.8630800000e-01  1.2310220000e+00
+ENERGY -1.526606283288e+02
+FORCES -4.5843000000e-03 -3.9030000000e-03  1.8080000000e-04  2.4542000000e-03  1.9002000000e-03 -3.9751000000e-03  2.6280000000e-04  1.5395000000e-03  4.0249000000e-03 -1.1273000000e-03  1.2736000000e-03 -6.2029000000e-03  6.2579000000e-03  2.0970000000e-04  7.4826000000e-03 -3.2633000000e-03 -1.0200000000e-03 -1.5104000000e-03
+
+JOB 18
+COORDS  5.5603900000e-01  1.0262100000e-01 -1.3517770000e+00 -3.3707400000e-01  2.1393400000e-01 -1.6776460000e+00  9.0669300000e-01 -6.3007600000e-01 -1.8581650000e+00 -4.9599100000e-01 -1.8588000000e-02  1.3669510000e+00 -6.7688700000e-01 -4.6331000000e-02  2.3064930000e+00 -8.6881800000e-01 -8.3187200000e-01  1.0266560000e+00
+ENERGY -1.526512873424e+02
+FORCES -2.5408000000e-03 -4.4840000000e-04 -1.6973000000e-03  3.6545000000e-03 -1.5629000000e-03  1.2414000000e-03 -1.7719000000e-03  2.6596000000e-03  3.2429000000e-03 -7.8800000000e-04 -4.3170000000e-03 -1.1650000000e-04  1.6119000000e-03  3.7690000000e-04 -4.6303000000e-03 -1.6570000000e-04  3.2919000000e-03  1.9598000000e-03
+
+JOB 19
+COORDS -9.2373800000e-01  1.2072780000e+00 -1.3262000000e-01 -3.4458300000e-01  4.4648100000e-01 -1.7734400000e-01 -1.7832950000e+00  8.6968700000e-01 -3.8446300000e-01  9.6358700000e-01 -1.0891800000e+00  1.4167100000e-01  6.7411800000e-01 -1.6461440000e+00 -5.8098400000e-01  8.5562200000e-01 -1.6330160000e+00  9.2193900000e-01
+ENERGY -1.526599458920e+02
+FORCES  4.0083000000e-03 -7.5280000000e-03  7.0380000000e-04 -7.8899000000e-03  6.6149000000e-03 -3.4826000000e-03  3.2928000000e-03  1.5030000000e-04  7.4000000000e-04  7.4290000000e-04 -5.6039000000e-03  2.7083000000e-03 -6.5690000000e-04  4.5343000000e-03  3.9435000000e-03  5.0290000000e-04  1.8325000000e-03 -4.6129000000e-03
+
+JOB 20
+COORDS  3.8425800000e-01 -1.3829600000e+00 -1.2156900000e-01 -4.5377200000e-01 -1.8383150000e+00 -2.0274200000e-01  9.7161100000e-01 -2.0292870000e+00  2.7023400000e-01 -3.9817600000e-01  1.4761790000e+00  4.7000000000e-02 -3.8008300000e-01  5.5784200000e-01  3.1637300000e-01  1.0192200000e-01  1.9343070000e+00  7.2246400000e-01
+ENERGY -1.526583484435e+02
+FORCES  1.1408000000e-03 -5.1291000000e-03 -4.0760000000e-04  3.9095000000e-03  3.8618000000e-03  1.7410000000e-03 -3.0355000000e-03  2.6419000000e-03 -2.1338000000e-03  5.0813000000e-03 -6.8890000000e-03  2.3620000000e-03 -5.5344000000e-03  6.9741000000e-03  5.6480000000e-04 -1.5617000000e-03 -1.4597000000e-03 -2.1264000000e-03
+
+JOB 21
+COORDS -1.4339000000e-02 -1.2758210000e+00  8.2157000000e-01 -8.1952800000e-01 -1.7443200000e+00  6.0154500000e-01  4.3558100000e-01 -1.1653760000e+00 -1.6049000000e-02  7.9260000000e-03  1.3328740000e+00 -7.9846600000e-01  6.8174000000e-01  6.7376200000e-01 -9.6513100000e-01 -9.6851000000e-02  1.3336960000e+00  1.5298200000e-01
+ENERGY -1.526534011476e+02
+FORCES -3.7177000000e-03 -1.4184000000e-03 -6.1159000000e-03  3.7761000000e-03  1.6471000000e-03  1.4573000000e-03  5.4200000000e-04  2.9707000000e-03  2.4875000000e-03  1.5991000000e-03 -4.1517000000e-03  6.9652000000e-03 -2.8246000000e-03 -1.6099000000e-03  3.2930000000e-04  6.2520000000e-04  2.5623000000e-03 -5.1233000000e-03
+
+JOB 22
+COORDS  3.5106500000e-01 -1.4836170000e+00  2.3431800000e-01  2.4126500000e-01 -5.3300000000e-01  2.1187700000e-01  1.2727130000e+00 -1.6239360000e+00  1.7275000000e-02 -3.5404800000e-01  1.3791550000e+00 -2.0842100000e-01 -1.2530470000e+00  1.4882200000e+00  1.0164000000e-01 -1.7321600000e-01  2.1768760000e+00 -7.0558600000e-01
+ENERGY -1.526609303362e+02
+FORCES  1.8462000000e-03  8.1203000000e-03 -2.3476000000e-03  5.4960000000e-04 -8.9574000000e-03  2.9650000000e-03 -2.7310000000e-03  4.7380000000e-04  5.2510000000e-04 -2.2782000000e-03  3.2321000000e-03 -2.0042000000e-03  4.6013000000e-03 -1.2590000000e-04 -1.5993000000e-03 -1.9879000000e-03 -2.7428000000e-03  2.4611000000e-03
+
+JOB 23
+COORDS -9.3849900000e-01  7.4021900000e-01  8.5893400000e-01 -1.5293130000e+00  1.1485310000e+00  1.4917460000e+00 -4.4431900000e-01  1.4703480000e+00  4.8620300000e-01  9.1522100000e-01 -8.4430200000e-01 -9.0484900000e-01  1.2717490000e+00 -8.6940000000e-03 -1.2063100000e+00  1.0658960000e+00 -8.4247700000e-01  4.0416000000e-02
+ENERGY -1.526531477033e+02
+FORCES -1.3139000000e-03  4.6672000000e-03 -8.0580000000e-04  2.7694000000e-03 -2.2660000000e-03 -3.2275000000e-03 -6.3290000000e-04 -3.3162000000e-03  2.0880000000e-03 -1.5553000000e-03  3.7542000000e-03  5.3657000000e-03 -1.7509000000e-03 -2.2143000000e-03  1.3778000000e-03  2.4836000000e-03 -6.2490000000e-04 -4.7983000000e-03
+
+JOB 24
+COORDS  2.2712900000e-01 -7.7790000000e-01 -1.3202130000e+00  2.3256400000e-01 -5.7835900000e-01 -3.8405800000e-01  7.9434600000e-01 -1.5441990000e+00 -1.4055510000e+00 -2.6511500000e-01  8.1129700000e-01  1.2031790000e+00  4.2461100000e-01  1.1747590000e+00  1.7585200000e+00 -8.9607300000e-01  4.3710000000e-01  1.8180780000e+00
+ENERGY -1.526597182425e+02
+FORCES  6.8870000000e-04  1.7438000000e-03  6.2769000000e-03  1.6709000000e-03 -6.7134000000e-03 -7.6431000000e-03 -1.8746000000e-03  2.9837000000e-03  1.2828000000e-03 -8.7740000000e-04  3.1245000000e-03  5.4648000000e-03 -3.4445000000e-03 -2.3361000000e-03 -2.3421000000e-03  3.8369000000e-03  1.1974000000e-03 -3.0392000000e-03
+
+JOB 25
+COORDS -1.1979210000e+00 -1.2190100000e-01  9.0126300000e-01 -1.7460870000e+00 -8.3017700000e-01  1.2390360000e+00 -4.5396900000e-01 -8.6608000000e-02  1.5025300000e+00  1.2412770000e+00  1.6822200000e-01 -9.1661200000e-01  1.1940340000e+00 -3.4581200000e-01 -1.7226950000e+00  3.5252300000e-01  5.0103500000e-01 -7.9177800000e-01
+ENERGY -1.526588285445e+02
+FORCES  1.9415000000e-03 -4.2117000000e-03  3.9465000000e-03  2.5022000000e-03  2.7198000000e-03 -8.3760000000e-04 -4.5428000000e-03  6.1580000000e-04 -2.4355000000e-03 -7.2449000000e-03 -1.8191000000e-03 -1.4659000000e-03  3.7810000000e-04  1.7942000000e-03  2.6141000000e-03  6.9658000000e-03  9.0100000000e-04 -1.8217000000e-03
+
+JOB 26
+COORDS -8.7901400000e-01 -2.1692600000e-01 -1.3268310000e+00 -1.0365910000e+00 -9.8767000000e-02 -3.9011400000e-01 -3.4562000000e-02 -6.6520800000e-01 -1.3734640000e+00  8.0609500000e-01  1.8034500000e-01  1.2419850000e+00  1.7200650000e+00  4.4125600000e-01  1.3551920000e+00  3.0171200000e-01  9.1666200000e-01  1.5879150000e+00
+ENERGY -1.526570542094e+02
+FORCES  6.8174000000e-03 -1.4463000000e-03  7.4860000000e-03 -3.6358000000e-03  1.2494000000e-03 -3.1100000000e-03 -3.1176000000e-03  5.5100000000e-04 -3.0486000000e-03  2.8018000000e-03  4.8794000000e-03  1.3278000000e-03 -3.9662000000e-03 -1.1243000000e-03 -3.6000000000e-04  1.1005000000e-03 -4.1091000000e-03 -2.2952000000e-03
+
+JOB 27
+COORDS  6.5939000000e-02 -6.9948900000e-01  1.4478150000e+00  1.6377700000e-01 -1.2361080000e+00  6.6124000000e-01 -6.1954900000e-01 -6.9680000000e-02  1.2249270000e+00 -6.4081000000e-02  6.5742700000e-01 -1.3543470000e+00  7.8416200000e-01  1.0931670000e+00 -1.2716050000e+00 -3.6469100000e-01  8.8261600000e-01 -2.2347760000e+00
+ENERGY -1.526586803548e+02
+FORCES -3.4300000000e-03  1.8606000000e-03 -8.1474000000e-03  8.4200000000e-04 -3.0300000000e-04  4.7252000000e-03  1.9327000000e-03 -2.2825000000e-03  4.0852000000e-03  3.2308000000e-03  3.5232000000e-03 -3.2970000000e-03 -4.1304000000e-03 -1.8073000000e-03 -1.3908000000e-03  1.5550000000e-03 -9.9110000000e-04  4.0249000000e-03
+
+JOB 28
+COORDS  1.3166150000e+00 -8.7447800000e-01  1.8970700000e-01  1.0345460000e+00 -1.7116720000e+00  5.5818400000e-01  6.5383500000e-01 -2.4844100000e-01  4.8131300000e-01 -1.2214460000e+00  8.4609500000e-01 -2.3920700000e-01 -1.1478010000e+00  1.6541360000e+00  2.6861100000e-01 -2.1502740000e+00  7.8701600000e-01 -4.6285800000e-01
+ENERGY -1.526574675519e+02
+FORCES -7.8728000000e-03  9.5160000000e-04  4.9630000000e-04  1.2618000000e-03  2.5702000000e-03 -1.2352000000e-03  7.1085000000e-03 -2.1054000000e-03  2.6323000000e-03 -5.2027000000e-03  2.5722000000e-03 -1.5210000000e-03  7.4250000000e-04 -5.0542000000e-03 -1.5109000000e-03  3.9626000000e-03  1.0657000000e-03  1.1386000000e-03
+
+JOB 29
+COORDS  1.1097960000e+00  4.5327900000e-01 -9.9601000000e-01  3.8123100000e-01  9.4855200000e-01 -6.2167200000e-01  1.1094370000e+00  6.8994600000e-01 -1.9234910000e+00 -1.0926520000e+00 -4.7411500000e-01  9.7694300000e-01 -1.1875470000e+00 -9.7865000000e-02  1.8519650000e+00 -5.4925200000e-01 -1.2512280000e+00  1.1074990000e+00
+ENERGY -1.526576510082e+02
+FORCES -5.5564000000e-03  2.0780000000e-03 -9.8200000000e-05  5.7555000000e-03  1.1723000000e-03 -3.6550000000e-03 -4.3760000000e-04 -9.9500000000e-04  3.6244000000e-03  3.1168000000e-03 -4.3595000000e-03  3.3522000000e-03  8.7620000000e-04 -8.0620000000e-04 -4.2016000000e-03 -3.7544000000e-03  2.9105000000e-03  9.7820000000e-04
+
+JOB 30
+COORDS  1.4561840000e+00 -6.5030000000e-01  5.9123000000e-02  1.9675730000e+00 -5.1900900000e-01  8.5754300000e-01  5.9400900000e-01 -2.8856800000e-01  2.6415200000e-01 -1.4402020000e+00  5.5378300000e-01 -1.1345100000e-01 -1.3593150000e+00  1.1136270000e+00 -8.8563200000e-01 -1.4456450000e+00  1.1627860000e+00  6.2500500000e-01
+ENERGY -1.526595723164e+02
+FORCES -5.5202000000e-03  1.8280000000e-03  2.4557000000e-03 -2.6229000000e-03  2.1460000000e-04 -2.5974000000e-03  9.8680000000e-03 -1.8243000000e-03  1.7897000000e-03 -3.3119000000e-03  6.0202000000e-03 -2.8129000000e-03 -5.8250000000e-04 -2.3737000000e-03  4.4348000000e-03  2.1695000000e-03 -3.8648000000e-03 -3.2699000000e-03
+
+JOB 31
+COORDS  4.4403500000e-01 -2.5713500000e-01 -1.5152220000e+00  7.7951400000e-01 -5.9356200000e-01 -6.8425700000e-01 -1.8785700000e-01 -9.1590100000e-01 -1.8032680000e+00 -4.3448900000e-01  2.5371600000e-01  1.5180290000e+00 -3.0060700000e-01  1.1310210000e+00  1.8766970000e+00 -4.4741500000e-01  3.8163100000e-01  5.6950300000e-01
+ENERGY -1.526586335442e+02
+FORCES  1.4693000000e-03 -6.7808000000e-03 -3.8530000000e-04 -4.9635000000e-03  4.6608000000e-03 -3.5199000000e-03  2.5984000000e-03  3.6350000000e-03  1.9008000000e-03 -6.9700000000e-04  5.7241000000e-03 -3.3411000000e-03 -5.8560000000e-04 -3.4932000000e-03 -1.4824000000e-03  2.1785000000e-03 -3.7460000000e-03  6.8279000000e-03
+
+JOB 32
+COORDS -1.2119700000e-01 -1.3047660000e+00 -1.0351020000e+00 -9.3529900000e-01 -8.3218400000e-01 -1.2087000000e+00  4.2482700000e-01 -6.7658100000e-01 -5.6237200000e-01  1.1794000000e-01  1.1904880000e+00  1.0471720000e+00  9.9367100000e-01  1.5733040000e+00  9.9446200000e-01 -4.3222000000e-01  1.7775680000e+00  5.2862300000e-01
+ENERGY -1.526570666534e+02
+FORCES -1.5243000000e-03  6.4820000000e-03  5.2272000000e-03  2.3100000000e-03 -1.6868000000e-03 -6.9950000000e-04  4.0130000000e-04 -4.3583000000e-03 -5.6677000000e-03  3.2560000000e-04  6.4275000000e-03  5.7460000000e-04 -4.1632000000e-03 -3.0311000000e-03 -8.9370000000e-04  2.6507000000e-03 -3.8332000000e-03  1.4591000000e-03
+
+JOB 33
+COORDS  1.6637300000e-01 -6.7578100000e-01  1.4536870000e+00  6.0381000000e-02 -8.9830400000e-01  5.2876400000e-01 -7.8846000000e-02 -1.4736990000e+00  1.9221170000e+00 -1.7203000000e-01  6.6754300000e-01 -1.4256110000e+00  7.2923300000e-01  9.3246200000e-01 -1.2418320000e+00 -6.0607300000e-01  1.4727100000e+00 -1.7076500000e+00
+ENERGY -1.526579428093e+02
+FORCES -2.8244000000e-03 -2.8270000000e-03 -3.7344000000e-03  3.2372000000e-03 -1.5974000000e-03  6.4312000000e-03  6.0990000000e-04  3.0667000000e-03 -2.0881000000e-03  7.1390000000e-04  6.5415000000e-03  1.5560000000e-04 -4.0860000000e-03 -2.2307000000e-03 -1.1568000000e-03  2.3494000000e-03 -2.9531000000e-03  3.9250000000e-04
+
+JOB 34
+COORDS -1.5505830000e+00  2.3456400000e-01 -9.1630000000e-03 -2.1293550000e+00 -2.9850900000e-01 -5.5422100000e-01 -1.8194800000e+00  1.1363930000e+00 -1.8418100000e-01  1.6438960000e+00 -2.1278200000e-01  5.6622000000e-02  1.3164030000e+00 -8.2873000000e-01  7.1205200000e-01  1.1070680000e+00 -3.7895600000e-01 -7.1825500000e-01
+ENERGY -1.526558286334e+02
+FORCES -3.8726000000e-03  3.7270000000e-03 -1.5746000000e-03  3.8388000000e-03  1.8566000000e-03  2.0344000000e-03  5.1780000000e-04 -4.3002000000e-03  3.7240000000e-04 -8.4711000000e-03 -1.9818000000e-03  3.4140000000e-04  3.2687000000e-03  1.1247000000e-03 -2.0125000000e-03  4.7184000000e-03 -4.2640000000e-04  8.3890000000e-04
+
+JOB 35
+COORDS -1.0561290000e+00 -8.1225000000e-01 -8.4677300000e-01 -1.5418800000e+00 -6.9988400000e-01 -1.6638730000e+00 -3.2732600000e-01 -1.3880740000e+00 -1.0780830000e+00  1.0110200000e+00  8.1103800000e-01  9.6603600000e-01  6.4340900000e-01  1.2811820000e+00  2.1766600000e-01  1.9513980000e+00  7.7818000000e-01  7.9042000000e-01
+ENERGY -1.526542305606e+02
+FORCES  1.6078000000e-03 -4.0420000000e-03 -2.6643000000e-03  2.6359000000e-03  5.4510000000e-04  3.8237000000e-03 -3.4515000000e-03  2.4449000000e-03 -3.1380000000e-04 -6.2230000000e-04  1.6553000000e-03 -4.6453000000e-03  3.7937000000e-03  1.6290000000e-04  3.5731000000e-03 -3.9637000000e-03 -7.6630000000e-04  2.2660000000e-04
+
+JOB 36
+COORDS  7.1455400000e-01 -1.3908850000e+00  9.6771000000e-02  8.1641500000e-01 -2.0045170000e+00  8.2431000000e-01  5.9808600000e-01 -1.9481750000e+00 -6.7270500000e-01 -7.3876900000e-01  1.5048710000e+00 -1.4129200000e-01 -1.2115760000e+00  1.1506850000e+00  6.1186000000e-01  1.1261700000e-01  1.0680700000e+00 -1.1723800000e-01
+ENERGY -1.526585029112e+02
+FORCES -3.0530000000e-04 -5.7961000000e-03 -1.0040000000e-03 -8.7880000000e-04  2.5748000000e-03 -3.2087000000e-03  9.5970000000e-04  1.8840000000e-03  3.8027000000e-03  2.9582000000e-03 -7.1000000000e-03  3.4133000000e-03  4.5020000000e-04  2.5650000000e-03 -2.0797000000e-03 -3.1840000000e-03  5.8723000000e-03 -9.2360000000e-04
+
+JOB 37
+COORDS  1.0239880000e+00  9.5966100000e-01  7.6587100000e-01  9.3680700000e-01  1.8708000000e+00  1.0459720000e+00  6.6299000000e-01  4.5000700000e-01  1.4912420000e+00 -1.0055030000e+00 -9.4641400000e-01 -8.8811500000e-01 -1.8064400000e-01 -1.0525290000e+00 -4.1421800000e-01 -1.6502370000e+00 -1.4112080000e+00 -3.5471500000e-01
+ENERGY -1.526539884217e+02
+FORCES -3.2408000000e-03  4.0539000000e-03  3.2359000000e-03  7.7440000000e-04 -3.8339000000e-03 -4.6310000000e-04  1.5552000000e-03  2.0970000000e-04 -4.1275000000e-03  2.8705000000e-03 -1.9250000000e-04  3.4697000000e-03 -4.7991000000e-03 -2.6665000000e-03 -7.2640000000e-04  2.8398000000e-03  2.4293000000e-03 -1.3886000000e-03
+
+JOB 38
+COORDS  3.5513500000e-01 -1.3676040000e+00 -7.3141000000e-01 -1.5093000000e-02 -1.8955460000e+00 -1.4388280000e+00  2.5591200000e-01 -1.9106850000e+00  5.0542000000e-02 -3.6558800000e-01  1.4797970000e+00  7.1566000000e-01 -4.7097200000e-01  7.0463400000e-01  1.2672470000e+00  5.0315200000e-01  1.3808570000e+00  3.2613200000e-01
+ENERGY -1.526549240728e+02
+FORCES -3.0447000000e-03 -4.4973000000e-03 -1.2722000000e-03  1.7984000000e-03  1.8407000000e-03  3.2001000000e-03  3.3160000000e-04  3.5220000000e-03 -2.4249000000e-03  3.6578000000e-03 -6.7494000000e-03 -2.5563000000e-03 -6.0400000000e-05  2.9922000000e-03  2.7100000000e-05 -2.6826000000e-03  2.8917000000e-03  3.0263000000e-03
+
+JOB 39
+COORDS  8.7148200000e-01 -4.6295000000e-01  1.4040330000e+00  9.3037500000e-01 -2.4101500000e-01  4.7478200000e-01  1.4570400000e-01 -1.0848040000e+00  1.4567220000e+00 -7.9291400000e-01  4.4373500000e-01 -1.3912290000e+00 -6.4902000000e-01  1.3520810000e+00 -1.1258370000e+00 -1.6039770000e+00  1.9053700000e-01 -9.5043500000e-01
+ENERGY -1.526578015898e+02
+FORCES -3.2470000000e-03 -2.1027000000e-03 -6.2986000000e-03  2.0187000000e-03 -8.5500000000e-05  6.4179000000e-03  2.0945000000e-03  2.3415000000e-03  8.0340000000e-04 -5.0694000000e-03  4.1730000000e-03  1.6995000000e-03  1.6120000000e-04 -4.7928000000e-03 -1.0223000000e-03  4.0420000000e-03  4.6650000000e-04 -1.5999000000e-03
+
+JOB 40
+COORDS  6.8751300000e-01 -5.9485100000e-01 -1.4434750000e+00 -1.5662800000e-01 -6.0323500000e-01 -9.9226700000e-01  6.9162200000e-01 -1.4007960000e+00 -1.9598740000e+00 -5.7764200000e-01  6.0841800000e-01  1.4457630000e+00 -7.8862600000e-01  1.4201930000e+00  1.9069990000e+00 -1.4017740000e+00  3.4323900000e-01  1.0374510000e+00
+ENERGY -1.526528866753e+02
+FORCES -2.9838000000e-03 -2.6432000000e-03  1.6127000000e-03  1.2546000000e-03 -8.8800000000e-04 -3.5353000000e-03 -6.1700000000e-05  3.4305000000e-03  2.3305000000e-03 -3.7316000000e-03  4.0463000000e-03  1.6426000000e-03  7.9030000000e-04 -3.7637000000e-03 -1.6212000000e-03  4.7324000000e-03 -1.8190000000e-04 -4.2940000000e-04
+
+JOB 41
+COORDS -3.3056500000e-01  1.0277540000e+00  1.3928250000e+00 -1.0537810000e+00  1.4329350000e+00  9.1426600000e-01  2.5980900000e-01  7.0850700000e-01  7.1034900000e-01  3.2035100000e-01 -1.0942930000e+00 -1.3172090000e+00  1.1629810000e+00 -6.6951500000e-01 -1.1566790000e+00 -2.3430400000e-01 -4.0021700000e-01 -1.6733670000e+00
+ENERGY -1.526529788708e+02
+FORCES -1.3171000000e-03 -1.9982000000e-03 -4.9454000000e-03  3.1438000000e-03 -1.3490000000e-03  1.5143000000e-03 -6.2420000000e-04  3.7283000000e-03  2.1565000000e-03  1.1783000000e-03  2.4080000000e-03 -3.0223000000e-03 -5.1387000000e-03 -5.1370000000e-04  1.2533000000e-03  2.7579000000e-03 -2.2753000000e-03  3.0435000000e-03
+
+JOB 42
+COORDS -2.4504500000e-01 -1.5906420000e+00 -4.0142700000e-01  2.3262500000e-01 -1.5213870000e+00 -1.2280260000e+00 -5.4801300000e-01 -2.4982350000e+00 -3.7464000000e-01  2.2166500000e-01  1.6789970000e+00  4.9194000000e-01  8.5595600000e-01  9.6270200000e-01  5.2070800000e-01 -1.2748300000e-01  1.6547400000e+00 -3.9898000000e-01
+ENERGY -1.526550627276e+02
+FORCES -6.3900000000e-04 -5.2492000000e-03 -2.7953000000e-03 -1.6941000000e-03  1.1458000000e-03  4.0705000000e-03  1.3984000000e-03  3.9661000000e-03 -4.2960000000e-04 -4.9060000000e-04 -6.1721000000e-03 -2.9891000000e-03 -5.9060000000e-04  4.9195000000e-03 -4.7850000000e-04  2.0158000000e-03  1.3900000000e-03  2.6220000000e-03
+
+JOB 43
+COORDS -9.4928700000e-01 -1.4558850000e+00 -3.7960000000e-02 -1.6502650000e+00 -1.4590410000e+00  6.1384600000e-01 -9.8119700000e-01 -5.7901300000e-01 -4.2046300000e-01  9.4565600000e-01  1.4114580000e+00 -2.7299000000e-02  1.6314030000e+00  2.0391730000e+00  2.0064300000e-01  1.0689390000e+00  6.8776900000e-01  5.8695400000e-01
+ENERGY -1.526581158825e+02
+FORCES -4.2177000000e-03  3.6965000000e-03 -7.3710000000e-04  3.1851000000e-03  5.2000000000e-05 -2.3291000000e-03 -1.1140000000e-04 -5.5687000000e-03  3.0231000000e-03  4.6729000000e-03 -1.9100000000e-04  3.2949000000e-03 -2.5692000000e-03 -2.8172000000e-03 -4.6450000000e-04 -9.5970000000e-04  4.8284000000e-03 -2.7873000000e-03
+
+JOB 44
+COORDS  4.5437100000e-01  1.1899150000e+00  1.2013380000e+00  2.1238200000e-01  3.6716700000e-01  7.7618100000e-01  8.8102200000e-01  9.2290000000e-01  2.0155260000e+00 -4.5760700000e-01 -1.0656310000e+00 -1.1820870000e+00  7.7549000000e-02 -1.8591990000e+00 -1.1915380000e+00 -1.1298130000e+00 -1.2215720000e+00 -1.8454520000e+00
+ENERGY -1.526582072371e+02
+FORCES -6.0460000000e-04 -5.0599000000e-03 -7.8970000000e-04  3.1324000000e-03  4.7855000000e-03  6.0019000000e-03 -1.4611000000e-03  6.3470000000e-04 -3.1693000000e-03 -2.0107000000e-03 -3.6916000000e-03 -5.2782000000e-03 -2.3664000000e-03  3.6266000000e-03  7.9810000000e-04  3.3105000000e-03 -2.9530000000e-04  2.4373000000e-03
+
+JOB 45
+COORDS  7.6314200000e-01 -1.2787370000e+00 -8.2846500000e-01  1.3421370000e+00 -7.6464300000e-01 -1.3912290000e+00  5.5704500000e-01 -2.0582160000e+00 -1.3443810000e+00 -8.2373400000e-01  1.3454080000e+00  8.9035200000e-01 -4.9831200000e-01  8.6370900000e-01  1.2989300000e-01 -4.6975500000e-01  8.7243800000e-01  1.6434990000e+00
+ENERGY -1.526582644303e+02
+FORCES  2.2037000000e-03 -3.8459000000e-03 -5.1850000000e-03 -3.5366000000e-03 -1.5502000000e-03  2.8595000000e-03  1.5260000000e-03  3.4178000000e-03  2.0144000000e-03  3.2082000000e-03 -6.5441000000e-03 -6.7270000000e-04 -1.7881000000e-03  5.7489000000e-03  2.7730000000e-03 -1.6132000000e-03  2.7736000000e-03 -1.7893000000e-03
+
+JOB 46
+COORDS  1.6674490000e+00  3.1464500000e-01  4.0315900000e-01  2.4767580000e+00  5.1400900000e-01 -6.7483000000e-02  1.1352960000e+00  1.1049230000e+00  3.1092900000e-01 -1.7029560000e+00 -3.9634200000e-01 -4.2801000000e-01 -1.1165610000e+00  3.3141900000e-01 -2.2128400000e-01 -2.0165080000e+00 -7.0120500000e-01  4.2344500000e-01
+ENERGY -1.526527675607e+02
+FORCES  3.0458000000e-03  3.6868000000e-03 -3.0955000000e-03 -3.4180000000e-03 -8.0250000000e-04  2.3825000000e-03 -5.4760000000e-04 -4.3575000000e-03  2.2890000000e-04  3.0620000000e-03  1.8100000000e-04  4.9770000000e-03 -2.6850000000e-03 -2.0580000000e-04 -8.6630000000e-04  5.4290000000e-04  1.4980000000e-03 -3.6265000000e-03
+
+JOB 47
+COORDS -1.3338440000e+00  8.3628100000e-01 -7.6883600000e-01 -2.1622500000e+00  5.1062600000e-01 -4.1680700000e-01 -1.1000010000e+00  1.5663870000e+00 -1.9569200000e-01  1.3685610000e+00 -8.1076100000e-01  7.6918900000e-01  8.4058400000e-01 -8.4155600000e-01 -2.8636000000e-02  1.9501930000e+00 -1.5679570000e+00  7.0143700000e-01
+ENERGY -1.526580477687e+02
+FORCES -3.4140000000e-03  3.2442000000e-03  4.4148000000e-03  3.4907000000e-03  1.2568000000e-03 -1.6845000000e-03 -1.5875000000e-03 -3.0406000000e-03 -2.9629000000e-03 -8.0250000000e-04 -2.3553000000e-03 -4.4062000000e-03  4.7895000000e-03 -1.9121000000e-03  4.5416000000e-03 -2.4763000000e-03  2.8070000000e-03  9.7100000000e-05
+
+JOB 48
+COORDS -7.7085000000e-01 -4.5918400000e-01 -1.6603150000e+00 -3.8116000000e-02  1.1469800000e-01 -1.8839050000e+00 -4.5014000000e-01 -9.8288200000e-01 -9.2606800000e-01  6.8943200000e-01  5.0177800000e-01  1.5935290000e+00  9.4266500000e-01 -3.9715200000e-01  1.3836990000e+00  8.2529100000e-01  5.7508800000e-01  2.5381980000e+00
+ENERGY -1.526535157696e+02
+FORCES  4.0570000000e-03  2.0291000000e-03  3.3483000000e-03 -2.8559000000e-03 -3.1429000000e-03 -5.5500000000e-05 -4.1940000000e-04  6.4500000000e-04 -2.9237000000e-03  1.5469000000e-03 -2.6897000000e-03  4.7043000000e-03 -1.8192000000e-03  3.4847000000e-03 -9.1470000000e-04 -5.0940000000e-04 -3.2630000000e-04 -4.1586000000e-03
+
+JOB 49
+COORDS  8.3035600000e-01 -8.9922100000e-01 -1.3301740000e+00  1.3085580000e+00 -1.6752840000e+00 -1.6222050000e+00  1.4682760000e+00 -4.0321700000e-01 -8.1707600000e-01 -8.7388600000e-01  8.5856200000e-01  1.3365090000e+00 -1.4131720000e+00  1.0849910000e+00  5.7879400000e-01 -6.7286700000e-01  1.6991890000e+00  1.7478120000e+00
+ENERGY -1.526549858919e+02
+FORCES  4.3423000000e-03 -1.1016000000e-03  2.4961000000e-03 -1.8834000000e-03  3.1208000000e-03  1.1645000000e-03 -1.5216000000e-03 -2.0701000000e-03 -3.6380000000e-03 -2.6593000000e-03  3.5964000000e-03 -2.2363000000e-03  1.9417000000e-03  7.7200000000e-05  4.0687000000e-03 -2.1960000000e-04 -3.6226000000e-03 -1.8549000000e-03
+
+JOB 50
+COORDS  4.7130600000e-01  8.7776600000e-01 -1.5809680000e+00  5.0219600000e-01  3.8253000000e-01 -2.3995140000e+00 -4.8641000000e-02  3.3283600000e-01 -9.9025700000e-01 -3.8415600000e-01 -8.0542600000e-01  1.5778890000e+00 -8.2704700000e-01 -1.6538980000e+00  1.5911350000e+00 -1.0377150000e+00 -1.8839700000e-01  1.9070800000e+00
+ENERGY -1.526568403199e+02
+FORCES -1.3846000000e-03 -5.0961000000e-03  1.0287000000e-03 -2.4370000000e-04  1.8178000000e-03  3.0283000000e-03  1.0704000000e-03  3.9034000000e-03 -5.6843000000e-03 -4.0854000000e-03 -1.6599000000e-03  4.7104000000e-03  1.8693000000e-03  3.9789000000e-03 -6.6210000000e-04  2.7739000000e-03 -2.9440000000e-03 -2.4211000000e-03
+
+JOB 51
+COORDS  1.4862430000e+00 -7.5501600000e-01 -8.7355200000e-01  2.3753890000e+00 -9.3433100000e-01 -5.6777800000e-01  1.1495680000e+00 -1.0026700000e-01 -2.6184500000e-01 -1.5253600000e+00  7.3591800000e-01  7.5872100000e-01 -2.1556910000e+00  4.5672200000e-01  1.4227710000e+00 -7.1148800000e-01  8.7381300000e-01  1.2433120000e+00
+ENERGY -1.526528396209e+02
+FORCES  1.2469000000e-03  2.0856000000e-03  3.0576000000e-03 -3.9518000000e-03  7.6180000000e-04 -1.0487000000e-03  2.7769000000e-03 -2.1587000000e-03 -9.5220000000e-04 -1.1086000000e-03 -1.0791000000e-03  5.4412000000e-03  2.6134000000e-03  1.6094000000e-03 -2.8128000000e-03 -1.5767000000e-03 -1.2191000000e-03 -3.6850000000e-03
+
+JOB 52
+COORDS -1.1517200000e+00  7.9023400000e-01  1.2988390000e+00 -3.3946500000e-01  8.7196000000e-01  1.7986340000e+00 -1.2240710000e+00 -1.4531700000e-01  1.1097840000e+00  1.1592470000e+00 -7.0280900000e-01 -1.3318220000e+00  7.8124700000e-01 -8.4821000000e-01 -4.6452400000e-01  6.9370100000e-01 -1.3145520000e+00 -1.9021450000e+00
+ENERGY -1.526524553822e+02
+FORCES  2.2918000000e-03 -2.1025000000e-03  1.8926000000e-03 -3.5612000000e-03 -1.1766000000e-03 -2.5736000000e-03  1.8112000000e-03  3.4565000000e-03 -1.1670000000e-04 -3.9283000000e-03 -2.1406000000e-03  6.0380000000e-04  1.4481000000e-03 -4.7350000000e-04 -2.4934000000e-03  1.9383000000e-03  2.4366000000e-03  2.6873000000e-03
+
+JOB 53
+COORDS  1.1714050000e+00  1.5170270000e+00  2.5828000000e-01  5.6166700000e-01  1.9409260000e+00  8.6223500000e-01  6.5980600000e-01  1.3736220000e+00 -5.3791900000e-01 -1.0855710000e+00 -1.4771670000e+00 -2.7641100000e-01 -6.0352900000e-01 -2.0878710000e+00  2.8118000000e-01 -1.9637740000e+00 -1.8525440000e+00 -3.4030900000e-01
+ENERGY -1.526558809279e+02
+FORCES -5.8975000000e-03 -3.7460000000e-04 -1.2653000000e-03  2.7515000000e-03 -1.0340000000e-03 -1.9773000000e-03  3.1435000000e-03  2.3854000000e-03  2.8715000000e-03 -8.8300000000e-04 -4.7948000000e-03  2.4894000000e-03 -2.7335000000e-03  2.0266000000e-03 -2.4675000000e-03  3.6189000000e-03  1.7915000000e-03  3.4930000000e-04
+
+JOB 54
+COORDS -1.8460320000e+00  5.0871600000e-01  5.0584000000e-02 -2.4338420000e+00  1.0909120000e+00 -4.3083000000e-01 -2.1329010000e+00 -3.7276900000e-01 -1.8799700000e-01  1.9257970000e+00 -4.5043900000e-01  3.6638000000e-02  1.6852850000e+00 -1.3723930000e+00  1.2821200000e-01  1.6713130000e+00 -2.2373300000e-01 -8.5783100000e-01
+ENERGY -1.526532157548e+02
+FORCES -4.0080000000e-03 -9.3410000000e-04 -2.1878000000e-03  2.7422000000e-03 -2.4852000000e-03  1.8996000000e-03  1.6629000000e-03  3.4605000000e-03  6.8540000000e-04 -3.6347000000e-03 -1.7914000000e-03 -2.9258000000e-03  1.1604000000e-03  3.2597000000e-03 -4.9100000000e-04  2.0772000000e-03 -1.5094000000e-03  3.0195000000e-03
+
+JOB 55
+COORDS  1.7751000000e-02 -1.3400800000e-01  2.0771460000e+00  6.3869200000e-01 -1.7266200000e-01  1.3497050000e+00 -5.9292200000e-01 -8.5185800000e-01  1.9098090000e+00  6.1260000000e-03  1.9018400000e-01 -2.0908110000e+00 -8.4797800000e-01 -1.9002200000e-01 -1.8854260000e+00  4.2734800000e-01  3.0805500000e-01 -1.2393940000e+00
+ENERGY -1.526527328404e+02
+FORCES  4.4130000000e-04 -3.9068000000e-03 -1.9487000000e-03 -3.4845000000e-03  9.9640000000e-04  1.3243000000e-03  2.6093000000e-03  3.5272000000e-03  1.3150000000e-04 -2.5573000000e-03  2.9000000000e-05  3.8265000000e-03  3.9865000000e-03  1.1217000000e-03 -7.2710000000e-04 -9.9530000000e-04 -1.7675000000e-03 -2.6065000000e-03
+
+JOB 56
+COORDS  1.6732100000e+00 -1.3465900000e-01 -1.1462390000e+00  1.8480220000e+00 -9.7149100000e-01 -1.5768030000e+00  1.0639630000e+00  3.1417400000e-01 -1.7324130000e+00 -1.6038850000e+00  1.9228800000e-01  1.1576560000e+00 -2.2239360000e+00 -5.1011800000e-01  9.6170900000e-01 -1.6650300000e+00  3.0881500000e-01  2.1057670000e+00
+ENERGY -1.526533909289e+02
+FORCES -2.9794000000e-03 -1.1202000000e-03 -3.3826000000e-03 -6.2850000000e-04  3.2107000000e-03  1.7431000000e-03  3.1859000000e-03 -1.9599000000e-03  1.4797000000e-03 -1.8992000000e-03 -2.6236000000e-03  3.5567000000e-03  2.4090000000e-03  2.9341000000e-03  4.7560000000e-04 -8.7800000000e-05 -4.4120000000e-04 -3.8725000000e-03
+
+JOB 57
+COORDS  3.9665700000e-01  1.6812950000e+00 -1.1066180000e+00 -8.2541000000e-02  9.4058600000e-01 -1.4780350000e+00 -1.8584900000e-01  2.4306060000e+00 -1.2309260000e+00 -3.0485600000e-01 -1.6409790000e+00  1.1651540000e+00 -4.4569800000e-01 -1.6987680000e+00  2.2013700000e-01 -6.9649200000e-01 -2.4410370000e+00  1.5155270000e+00
+ENERGY -1.526525912736e+02
+FORCES -4.5627000000e-03  3.3630000000e-04 -1.2405000000e-03  1.9615000000e-03  2.1820000000e-03  1.2911000000e-03  2.5332000000e-03 -3.0454000000e-03  3.0670000000e-04 -1.7339000000e-03 -3.6255000000e-03 -2.2216000000e-03  1.5550000000e-04  6.4210000000e-04  3.2598000000e-03  1.6463000000e-03  3.5106000000e-03 -1.3956000000e-03
+
+JOB 58
+COORDS  5.1102100000e-01  1.8642990000e+00  8.4514300000e-01 -3.2216600000e-01  2.2906650000e+00  6.4453700000e-01  3.3828300000e-01  9.3071200000e-01  7.2345400000e-01 -4.1952800000e-01 -1.8374220000e+00 -7.6878100000e-01 -7.9573700000e-01 -1.0506800000e+00 -1.1634160000e+00 -6.0914800000e-01 -2.5348710000e+00 -1.3963490000e+00
+ENERGY -1.526548406266e+02
+FORCES -3.4849000000e-03 -2.6829000000e-03 -2.9130000000e-04  3.3018000000e-03 -1.9494000000e-03  3.0100000000e-04 -2.1000000000e-06  5.3791000000e-03 -2.5970000000e-04 -2.2244000000e-03 -1.2897000000e-03 -5.2921000000e-03  1.8230000000e-03 -2.4768000000e-03  2.9947000000e-03  5.8670000000e-04  3.0197000000e-03  2.5474000000e-03
+
+JOB 59
+COORDS -4.7999800000e-01 -1.3091300000e+00  1.5626300000e+00 -1.3343650000e+00 -1.6921360000e+00  1.3636400000e+00  4.7658000000e-02 -1.4812170000e+00  7.8276100000e-01  4.3685600000e-01  1.3005820000e+00 -1.4890000000e+00  5.3018600000e-01  1.9820700000e+00 -2.1546540000e+00  1.2827180000e+00  1.2850380000e+00 -1.0412190000e+00
+ENERGY -1.526546854115e+02
+FORCES -1.9859000000e-03 -1.3826000000e-03 -5.0969000000e-03  3.3484000000e-03  1.0521000000e-03  1.2425000000e-03 -1.3054000000e-03  6.5600000000e-05  3.9424000000e-03  3.6766000000e-03  3.6937000000e-03 -5.5440000000e-04 -3.6960000000e-04 -2.8101000000e-03  2.7468000000e-03 -3.3641000000e-03 -6.1860000000e-04 -2.2804000000e-03
+
+JOB 60
+COORDS  3.0169800000e-01  1.9502870000e+00  6.1575800000e-01  3.7105900000e-01  2.3270930000e+00  1.4929340000e+00 -6.3980000000e-01  1.8708300000e+00  4.6245600000e-01 -2.3470900000e-01 -2.0219410000e+00 -6.3544600000e-01  2.1746400000e-01 -1.1839190000e+00 -7.3286300000e-01 -1.1196330000e+00 -1.8563760000e+00 -9.6061000000e-01
+ENERGY -1.526553499277e+02
+FORCES -3.2731000000e-03  2.1164000000e-03  4.2432000000e-03 -4.9230000000e-04 -1.2660000000e-03 -3.7959000000e-03  4.0493000000e-03 -3.2440000000e-04 -2.5300000000e-05 -7.5610000000e-04  4.5242000000e-03 -1.5445000000e-03 -2.7832000000e-03 -4.5935000000e-03 -3.5780000000e-04  3.2553000000e-03 -4.5670000000e-04  1.4804000000e-03
+
+JOB 61
+COORDS -1.4735180000e+00  1.7198800000e+00 -6.2483000000e-01 -7.1324400000e-01  2.1114160000e+00 -1.0548480000e+00 -1.2609320000e+00  7.8865900000e-01 -5.6266100000e-01  1.4676710000e+00 -1.6563570000e+00  6.0681500000e-01  1.3882480000e+00 -1.7046240000e+00  1.5594920000e+00  7.2705800000e-01 -2.1659520000e+00  2.7812600000e-01
+ENERGY -1.526548909402e+02
+FORCES  4.8828000000e-03 -2.2359000000e-03 -1.3608000000e-03 -3.4472000000e-03 -1.2346000000e-03  1.5162000000e-03 -1.8636000000e-03  3.4766000000e-03 -3.5780000000e-04 -2.4626000000e-03 -3.1324000000e-03  3.3523000000e-03  2.2740000000e-04  1.5850000000e-04 -4.1903000000e-03  2.6632000000e-03  2.9677000000e-03  1.0405000000e-03
+
+JOB 62
+COORDS -1.6447110000e+00  8.7873000000e-01  1.3897920000e+00 -2.2229500000e+00  1.1789520000e+00  6.8855100000e-01 -2.2349910000e+00  6.6314900000e-01  2.1118210000e+00  1.7564300000e+00 -8.7994200000e-01 -1.3442340000e+00  1.1538170000e+00 -1.9016400000e-01 -1.6222560000e+00  1.5468350000e+00 -1.6237480000e+00 -1.9090830000e+00
+ENERGY -1.526536210434e+02
+FORCES -4.7469000000e-03  1.5220000000e-04  7.2440000000e-04  2.6582000000e-03 -1.3132000000e-03  2.4796000000e-03  2.3218000000e-03  9.8310000000e-04 -3.0451000000e-03 -3.8218000000e-03  6.9400000000e-05 -2.6238000000e-03  2.6804000000e-03 -2.8468000000e-03  2.9270000000e-04  9.0840000000e-04  2.9553000000e-03  2.1722000000e-03
+
+JOB 63
+COORDS -2.3021490000e+00 -3.1515800000e-01 -7.3263400000e-01 -2.0489140000e+00 -1.2305530000e+00 -8.5161000000e-01 -1.4723070000e+00  1.6035500000e-01 -6.9414300000e-01  2.1770700000e+00  3.2904000000e-01  7.3633000000e-01  2.7321320000e+00  6.0013900000e-01  5.1360000000e-03  2.7678870000e+00  3.0194100000e-01  1.4889470000e+00
+ENERGY -1.526554217995e+02
+FORCES  5.1913000000e-03 -1.6920000000e-03  4.3370000000e-04 -1.3995000000e-03  3.4334000000e-03  1.5480000000e-04 -4.1876000000e-03 -1.7606000000e-03 -1.0260000000e-03  5.2409000000e-03  1.0990000000e-03  8.4590000000e-04 -2.6041000000e-03 -1.1993000000e-03  2.8696000000e-03 -2.2410000000e-03  1.1960000000e-04 -3.2779000000e-03
+
+JOB 64
+COORDS -5.0744500000e-01  1.6617530000e+00 -1.6930490000e+00 -1.0123190000e+00  8.4941500000e-01 -1.7310150000e+00 -3.5036800000e-01  1.8897360000e+00 -2.6093360000e+00  5.1296000000e-01 -1.6817960000e+00  1.7092340000e+00  7.0531000000e-02 -1.4704230000e+00  2.5313110000e+00  1.1625270000e+00 -9.8715100000e-01  1.6007800000e+00
+ENERGY -1.526550848017e+02
+FORCES -1.6018000000e-03 -2.7215000000e-03 -3.9170000000e-03  2.0041000000e-03  3.7674000000e-03 -1.1870000000e-04 -6.1230000000e-04 -8.8240000000e-04  3.7069000000e-03  1.0579000000e-03  4.1216000000e-03  2.9146000000e-03  1.7227000000e-03 -1.0068000000e-03 -3.2931000000e-03 -2.5706000000e-03 -3.2783000000e-03  7.0740000000e-04
+
+JOB 65
+COORDS  2.5075710000e+00  1.2757300000e-01 -5.1163500000e-01  2.0969430000e+00  6.2241100000e-01 -1.2206850000e+00  1.8051990000e+00 -8.2020000000e-03  1.2434500000e-01 -2.4589140000e+00 -1.9037200000e-01  4.6026000000e-01 -2.7695390000e+00  7.0568500000e-01  5.8997300000e-01 -1.9263910000e+00 -3.7415800000e-01  1.2341290000e+00
+ENERGY -1.526542518180e+02
+FORCES -4.9502000000e-03  1.1681000000e-03 -8.2170000000e-04  2.0100000000e-03 -1.7675000000e-03  2.9811000000e-03  3.0714000000e-03  6.8650000000e-04 -1.9508000000e-03 -2.8410000000e-04  2.6645000000e-03  4.0600000000e-03  1.6465000000e-03 -3.7451000000e-03 -6.5090000000e-04 -1.4935000000e-03  9.9340000000e-04 -3.6177000000e-03
+
+JOB 66
+COORDS -1.1613300000e-01  1.0270350000e+00 -2.3114630000e+00  1.2010200000e-01  1.2961750000e+00 -1.4237760000e+00  5.4891300000e-01  1.4302330000e+00 -2.8694750000e+00  5.3053000000e-02 -1.0032870000e+00  2.2781000000e+00  2.6364900000e-01 -1.4512290000e+00  3.0973860000e+00  3.8700000000e-02 -1.6991240000e+00  1.6209580000e+00
+ENERGY -1.526550223351e+02
+FORCES  3.5422000000e-03  2.9865000000e-03  1.7625000000e-03 -8.5580000000e-04 -1.1155000000e-03 -4.2661000000e-03 -2.6585000000e-03 -1.6702000000e-03  2.1673000000e-03  5.0880000000e-04 -4.9844000000e-03  7.7300000000e-04 -8.1600000000e-04  1.7885000000e-03 -3.3461000000e-03  2.7940000000e-04  2.9951000000e-03  2.9093000000e-03
+
+JOB 67
+COORDS  5.0253800000e-01  3.7830300000e-01  2.5265330000e+00 -1.5451300000e-01  2.6372100000e-01  3.2131090000e+00  1.0625660000e+00 -3.9458800000e-01  2.5989090000e+00 -4.6860300000e-01 -3.5092700000e-01 -2.6217490000e+00 -6.7608800000e-01 -9.7225800000e-01 -1.9238030000e+00 -7.7112000000e-01  4.9393400000e-01 -2.2886940000e+00
+ENERGY -1.526546911903e+02
+FORCES  1.1770000000e-04 -3.4395000000e-03  3.6308000000e-03  2.5938000000e-03  4.0700000000e-04 -3.0437000000e-03 -2.5721000000e-03  3.1063000000e-03 -4.0900000000e-04 -1.8353000000e-03  1.3006000000e-03  4.7662000000e-03  7.2860000000e-04  2.0758000000e-03 -3.1148000000e-03  9.6730000000e-04 -3.4502000000e-03 -1.8295000000e-03
+
+JOB 68
+COORDS -3.3979400000e-01  2.5036130000e+00 -9.3166500000e-01 -4.4814400000e-01  1.6552670000e+00 -5.0178000000e-01  1.2656600000e-01  2.3035590000e+00 -1.7432790000e+00  3.5134700000e-01 -2.5080970000e+00  9.1189000000e-01  6.3741900000e-01 -2.1565660000e+00  1.7549910000e+00 -3.8003600000e-01 -1.9471590000e+00  6.5370600000e-01
+ENERGY -1.526537075868e+02
+FORCES  1.7953000000e-03 -4.1059000000e-03 -1.9521000000e-03  1.1920000000e-04  3.1411000000e-03 -1.3516000000e-03 -2.0684000000e-03  8.7180000000e-04  3.4328000000e-03 -1.8891000000e-03  2.9929000000e-03  2.9735000000e-03 -1.2607000000e-03 -1.2789000000e-03 -3.7636000000e-03  3.3038000000e-03 -1.6209000000e-03  6.6100000000e-04
+
+JOB 69
+COORDS -2.1047470000e+00  1.2225250000e+00  1.2909820000e+00 -3.0034110000e+00  1.3585600000e+00  9.9076800000e-01 -2.1709770000e+00  5.1738000000e-01  1.9348890000e+00  2.2028810000e+00 -1.1880470000e+00 -1.2602790000e+00  2.1897540000e+00 -6.4210600000e-01 -2.0464140000e+00  1.4381830000e+00 -1.7567120000e+00 -1.3502180000e+00
+ENERGY -1.526539746420e+02
+FORCES -3.7486000000e-03 -2.2319000000e-03  1.7451000000e-03  3.7256000000e-03 -6.1530000000e-04  1.0814000000e-03  9.4500000000e-05  2.8417000000e-03 -2.7549000000e-03 -3.5577000000e-03  4.5930000000e-04 -3.3691000000e-03  2.5820000000e-04 -2.4187000000e-03  2.9947000000e-03  3.2281000000e-03  1.9649000000e-03  3.0280000000e-04
+
+JOB 70
+COORDS  1.8268810000e+00  5.1556400000e-01 -2.3934870000e+00  2.4023750000e+00 -1.4011100000e-01 -1.9996250000e+00  2.1987230000e+00  1.3549760000e+00 -2.1226490000e+00 -1.8387860000e+00 -5.5346500000e-01  2.3071540000e+00 -1.9508950000e+00  3.6295200000e-01  2.5598250000e+00 -2.4314020000e+00 -1.0356290000e+00  2.8838300000e+00
+ENERGY -1.526538798291e+02
+FORCES  3.6058000000e-03  4.9560000000e-04  3.0775000000e-03 -2.1146000000e-03  2.7542000000e-03 -1.8196000000e-03 -1.4705000000e-03 -3.2935000000e-03 -1.1910000000e-03 -3.0150000000e-03  1.8384000000e-03  3.1304000000e-03  5.2570000000e-04 -3.7417000000e-03 -8.8010000000e-04  2.4686000000e-03  1.9470000000e-03 -2.3173000000e-03
+
+JOB 71
+COORDS -1.5708920000e+00 -1.9537230000e+00  2.0543070000e+00 -2.2629900000e+00 -1.3623530000e+00  1.7584780000e+00 -8.3776200000e-01 -1.7794230000e+00  1.4640770000e+00  1.5489790000e+00  1.8738580000e+00 -2.0529440000e+00  1.7248760000e+00  2.8146160000e+00 -2.0366480000e+00  1.6883950000e+00  1.5879700000e+00 -1.1501360000e+00
+ENERGY -1.526540953843e+02
+FORCES -4.6300000000e-05  2.9092000000e-03 -3.8421000000e-03  2.9048000000e-03 -2.3478000000e-03  1.3392000000e-03 -2.8061000000e-03 -5.2100000000e-04  2.5903000000e-03  1.6206000000e-03  2.9773000000e-03  3.5516000000e-03 -7.7700000000e-04 -3.9145000000e-03 -2.8400000000e-05 -8.9600000000e-04  8.9680000000e-04 -3.6107000000e-03
+
+JOB 72
+COORDS -2.8058910000e+00 -6.9738000000e-02 -1.5679940000e+00 -2.0002880000e+00  3.2904700000e-01 -1.8969410000e+00 -2.7816430000e+00 -9.6763200000e-01 -1.8987970000e+00  2.7472920000e+00  4.4439000000e-02  1.6513390000e+00  3.5570050000e+00  5.3826700000e-01  1.5219920000e+00  2.1480110000e+00  3.8838200000e-01  9.8892100000e-01
+ENERGY -1.526538565530e+02
+FORCES  3.1390000000e-03 -2.2411000000e-03 -2.7467000000e-03 -3.0681000000e-03 -1.5281000000e-03  1.5052000000e-03 -5.0600000000e-05  3.7768000000e-03  1.3181000000e-03  7.9170000000e-04  3.5268000000e-03 -2.9784000000e-03 -3.3343000000e-03 -2.0553000000e-03  4.5500000000e-04  2.5224000000e-03 -1.4790000000e-03  2.4468000000e-03
+
+JOB 73
+COORDS  5.6783700000e-01  8.4195000000e-01 -3.1141940000e+00  1.2740280000e+00  2.3712400000e-01 -2.8867900000e+00  8.1452300000e-01  1.6669540000e+00 -2.6961690000e+00 -5.8723700000e-01 -8.8003600000e-01  3.1127950000e+00 -1.4639570000e+00 -5.3858600000e-01  3.2888820000e+00 -4.8744800000e-01 -8.0708000000e-01  2.1636110000e+00
+ENERGY -1.526543012021e+02
+FORCES  4.1636000000e-03  1.0420000000e-03  2.1897000000e-03 -3.0689000000e-03  2.4486000000e-03 -7.3230000000e-04 -1.1502000000e-03 -3.4875000000e-03 -1.5504000000e-03 -3.4028000000e-03  1.5900000000e-03 -3.1931000000e-03  3.6233000000e-03 -1.3550000000e-03 -6.5640000000e-04 -1.6490000000e-04 -2.3810000000e-04  3.9426000000e-03
+
+JOB 74
+COORDS  3.2184940000e+00  2.5927500000e-01  3.1419000000e-02  3.0318220000e+00  7.3521300000e-01 -7.7782000000e-01  4.1740960000e+00  2.2453900000e-01  7.4422000000e-02 -3.2955690000e+00 -2.3712000000e-01 -9.9210000000e-03 -2.6449210000e+00 -2.1608000000e-01  6.9182400000e-01 -3.4002280000e+00 -1.1667970000e+00 -2.1235800000e-01
+ENERGY -1.526544937530e+02
+FORCES  3.2057000000e-03  1.9097000000e-03 -3.2057000000e-03  8.0480000000e-04 -2.0036000000e-03  3.3554000000e-03 -3.8974000000e-03  1.2030000000e-04 -1.7450000000e-04  2.4725000000e-03 -3.7273000000e-03  2.1423000000e-03 -2.8913000000e-03 -5.8700000000e-05 -2.8758000000e-03  3.0580000000e-04  3.7596000000e-03  7.5820000000e-04
+
+JOB 75
+COORDS -2.9339070000e+00 -1.2182890000e+00 -8.8504100000e-01 -2.9119830000e+00 -2.1719830000e+00 -8.0618000000e-01 -3.8450980000e+00 -9.8381100000e-01 -7.0902400000e-01  2.9899280000e+00  1.2448770000e+00  8.1772200000e-01  2.2209220000e+00  1.1842220000e+00  1.3844520000e+00  3.6521170000e+00  1.6770030000e+00  1.3571710000e+00
+ENERGY -1.526540251640e+02
+FORCES -3.5789000000e-03 -3.0123000000e-03  8.1760000000e-04 -1.4670000000e-04  3.9214000000e-03 -2.3490000000e-04  3.7422000000e-03 -9.2690000000e-04 -6.4270000000e-04 -7.6360000000e-04  1.4667000000e-03  4.3676000000e-03  3.3900000000e-03  3.1260000000e-04 -2.1174000000e-03 -2.6432000000e-03 -1.7616000000e-03 -2.1902000000e-03
+
+JOB 76
+COORDS -8.1172000000e-02 -3.4979700000e+00  8.6611600000e-01  2.8792100000e-01 -4.0866740000e+00  2.0776300000e-01 -3.2460500000e-01 -2.7125070000e+00  3.7619800000e-01  1.0659600000e-01  3.5405080000e+00 -7.8872800000e-01 -3.4965700000e-01  2.9393500000e+00 -1.9993700000e-01 -1.5991000000e-02  3.1626890000e+00 -1.6596230000e+00
+ENERGY -1.526538028776e+02
+FORCES  6.3280000000e-04  6.0070000000e-04 -4.6571000000e-03 -1.5618000000e-03  2.4758000000e-03  2.6802000000e-03  9.1510000000e-04 -3.0094000000e-03  1.9847000000e-03 -2.3822000000e-03 -3.7736000000e-03 -1.0618000000e-03  1.8858000000e-03  2.3075000000e-03 -2.5397000000e-03  5.1030000000e-04  1.3990000000e-03  3.5938000000e-03
+
+JOB 77
+COORDS  3.3683840000e+00  6.4263500000e-01  1.1928590000e+00  3.0281710000e+00  1.3724350000e+00  6.7529000000e-01  3.9336210000e+00  1.6230700000e-01  5.8786000000e-01 -3.4079090000e+00 -6.6699600000e-01 -1.0673230000e+00 -3.8889900000e+00 -4.9808700000e-01 -1.8774240000e+00 -2.4869990000e+00 -6.5482900000e-01 -1.3281070000e+00
+ENERGY -1.526539033771e+02
+FORCES  1.0250000000e-03  1.0924000000e-03 -4.4090000000e-03  1.3387000000e-03 -3.0646000000e-03  2.0104000000e-03 -2.3955000000e-03  1.9550000000e-03  2.4123000000e-03  1.8061000000e-03  6.5250000000e-04 -4.2513000000e-03  1.9945000000e-03 -6.6380000000e-04  3.2975000000e-03 -3.7687000000e-03  2.8500000000e-05  9.4010000000e-04
+
+JOB 78
+COORDS  2.4946670000e+00 -2.6819260000e+00  7.3695500000e-01  1.5951720000e+00 -2.8556910000e+00  1.0143450000e+00  2.8717040000e+00 -3.5490810000e+00  5.8823500000e-01 -2.4275610000e+00  2.7437060000e+00 -7.8781200000e-01 -2.1983850000e+00  2.4831580000e+00  1.0427800000e-01 -3.3823640000e+00  2.8109970000e+00 -7.8037500000e-01
+ENERGY -1.526539470625e+02
+FORCES -2.1137000000e-03 -4.2490000000e-03  3.5810000000e-04  3.6435000000e-03  7.3850000000e-04 -1.0214000000e-03 -1.5418000000e-03  3.5319000000e-03  6.5140000000e-04 -2.8127000000e-03 -7.2990000000e-04  3.6788000000e-03 -1.0572000000e-03  1.0214000000e-03 -3.6313000000e-03  3.8818000000e-03 -3.1290000000e-04 -3.5600000000e-05
+
+JOB 79
+COORDS -3.7772900000e+00 -1.4380080000e+00  1.1006310000e+00 -2.8700930000e+00 -1.6955580000e+00  9.3664000000e-01 -4.2918780000e+00 -1.9750100000e+00  4.9808500000e-01  3.7860660000e+00  1.4304420000e+00 -1.0262950000e+00  3.5091190000e+00  2.2373680000e+00 -5.9224000000e-01  3.5279600000e+00  1.5488830000e+00 -1.9403980000e+00
+ENERGY -1.526542043470e+02
+FORCES  1.6702000000e-03 -3.3057000000e-03 -3.0709000000e-03 -3.7740000000e-03  1.0822000000e-03  6.3810000000e-04  2.0737000000e-03  2.2142000000e-03  2.4329000000e-03 -2.1201000000e-03  3.8884000000e-03 -1.9313000000e-03  1.1290000000e-03 -3.3314000000e-03 -1.7930000000e-03  1.0213000000e-03 -5.4770000000e-04  3.7243000000e-03
+
+JOB 80
+COORDS  2.3252380000e+00  3.7210810000e+00 -2.0581760000e+00  1.6749950000e+00  4.4156120000e+00 -1.9530880000e+00  2.7629780000e+00  3.6715770000e+00 -1.2083730000e+00 -2.3269220000e+00 -3.7117040000e+00  1.9501550000e+00 -2.8909910000e+00 -4.3847630000e+00  2.3310100000e+00 -1.4890050000e+00 -3.8177610000e+00  2.4005740000e+00
+ENERGY -1.526540281794e+02
+FORCES -9.7020000000e-04  2.5644000000e-03  3.9097000000e-03  2.6961000000e-03 -2.7896000000e-03 -4.3650000000e-04 -1.7332000000e-03  2.2280000000e-04 -3.4643000000e-03  1.1411000000e-03 -3.2091000000e-03  3.3257000000e-03  2.2953000000e-03  2.7593000000e-03 -1.5367000000e-03 -3.4291000000e-03  4.5220000000e-04 -1.7981000000e-03
+
+JOB 81
+COORDS -3.5622480000e+00  2.5640170000e+00  2.3255030000e+00 -4.0270060000e+00  3.4005550000e+00  2.3463900000e+00 -4.2185460000e+00  1.9321240000e+00  2.0318780000e+00  3.6648730000e+00 -2.6107200000e+00 -2.2762420000e+00  2.7279010000e+00 -2.5126350000e+00 -2.1068460000e+00  3.8303240000e+00 -2.0558530000e+00 -3.0384630000e+00
+ENERGY -1.526540969981e+02
+FORCES -4.6013000000e-03  8.6520000000e-04 -1.0212000000e-03  1.9009000000e-03 -3.4237000000e-03 -1.1540000000e-04  2.7065000000e-03  2.5638000000e-03  1.1483000000e-03 -3.1672000000e-03  2.7422000000e-03 -2.3322000000e-03  3.8229000000e-03 -4.5710000000e-04 -7.4960000000e-04 -6.6190000000e-04 -2.2904000000e-03  3.0700000000e-03
+
+JOB 82
+COORDS -3.7578300000e-01  4.8741430000e+00  9.6266200000e-01 -8.6263000000e-01  4.6558070000e+00  1.7573570000e+00  9.2981000000e-02  5.6793640000e+00  1.1820030000e+00  3.4213800000e-01 -4.8751940000e+00 -1.0568100000e+00  6.9288400000e-01 -5.7599700000e+00 -1.1586970000e+00  6.4342200000e-01 -4.5956770000e+00 -1.9232700000e-01
+ENERGY -1.526539927148e+02
+FORCES -1.0920000000e-04  2.3856000000e-03  4.0956000000e-03  2.0091000000e-03  8.9320000000e-04 -3.2201000000e-03 -1.9025000000e-03 -3.2899000000e-03 -8.8320000000e-04  2.6798000000e-03 -2.3856000000e-03  3.0936000000e-03 -1.4391000000e-03  3.5928000000e-03  4.1880000000e-04 -1.2381000000e-03 -1.1961000000e-03 -3.5046000000e-03
+
+JOB 83
+COORDS -3.6880800000e+00  9.7341200000e-01 -3.4810150000e+00 -3.6230420000e+00  1.0527580000e+00 -2.5293290000e+00 -3.8943550000e+00  1.8583110000e+00 -3.7820730000e+00  3.6633630000e+00 -9.9418100000e-01  3.4882850000e+00  3.2811710000e+00 -1.4635600000e+00  2.7467700000e+00  4.6057860000e+00 -1.1389700000e+00  3.4039860000e+00
+ENERGY -1.526541544950e+02
+FORCES -6.1000000000e-04  3.9647000000e-03  2.6704000000e-03 -2.4520000000e-04 -3.5000000000e-04 -3.8969000000e-03  8.4760000000e-04 -3.6151000000e-03  1.2152000000e-03  2.3145000000e-03 -2.5430000000e-03 -3.3768000000e-03  1.5375000000e-03  1.9417000000e-03  3.0376000000e-03 -3.8444000000e-03  6.0170000000e-04  3.5050000000e-04
+
+JOB 84
+COORDS  4.4351080000e+00  9.7646300000e-01 -2.4936590000e+00  5.3648860000e+00  1.1963800000e+00 -2.4355040000e+00  4.0979340000e+00  1.1237510000e+00 -1.6100010000e+00 -4.4727950000e+00 -1.0175180000e+00  2.3905720000e+00 -3.9211160000e+00 -2.8060100000e-01  2.6529370000e+00 -4.8745700000e+00 -1.3186110000e+00  3.2055270000e+00
+ENERGY -1.526539951175e+02
+FORCES  2.3943000000e-03  1.4619000000e-03  3.8246000000e-03 -3.7941000000e-03 -8.8830000000e-04 -2.2990000000e-04  1.3897000000e-03 -5.7370000000e-04 -3.5866000000e-03  5.8130000000e-04  1.7694000000e-03  4.3662000000e-03 -2.2246000000e-03 -3.0043000000e-03 -1.0543000000e-03  1.6533000000e-03  1.2350000000e-03 -3.3200000000e-03
+
+JOB 85
+COORDS -3.2584820000e+00 -4.0572910000e+00 -6.6360900000e-01 -3.8162650000e+00 -3.8674190000e+00  9.0751000000e-02 -3.8660010000e+00 -4.3458330000e+00 -1.3447080000e+00  3.2770510000e+00  4.0393340000e+00  6.6370100000e-01  4.0966130000e+00  3.7268890000e+00  1.0470130000e+00  3.5139430000e+00  4.8554210000e+00  2.2311600000e-01
+ENERGY -1.526540016647e+02
+FORCES -4.7284000000e-03 -3.0680000000e-04  3.1290000000e-04  2.2538000000e-03 -8.2570000000e-04 -3.0803000000e-03  2.4744000000e-03  1.1466000000e-03  2.7719000000e-03  4.3074000000e-03  1.9802000000e-03 -2.6360000000e-04 -3.3356000000e-03  1.3129000000e-03 -1.5480000000e-03 -9.7160000000e-04 -3.3071000000e-03  1.8072000000e-03
+
+JOB 86
+COORDS  3.2739010000e+00  4.3500020000e+00 -1.1117910000e+00  2.8505100000e+00  3.6516800000e+00 -6.1247300000e-01  2.7138600000e+00  4.4701470000e+00 -1.8787010000e+00 -3.2748680000e+00 -4.2944430000e+00  1.1164010000e+00 -2.5324290000e+00 -3.8847220000e+00  1.5604100000e+00 -2.9670910000e+00 -5.1734960000e+00  8.9556100000e-01
+ENERGY -1.526540784280e+02
+FORCES -4.0428000000e-03 -2.3183000000e-03 -1.1119000000e-03  1.7487000000e-03  2.8174000000e-03 -2.0188000000e-03  2.3011000000e-03 -5.0310000000e-04  3.1350000000e-03  4.2475000000e-03 -1.9929000000e-03  9.5320000000e-04 -3.0121000000e-03 -1.6176000000e-03 -1.8470000000e-03 -1.2424000000e-03  3.6146000000e-03  8.8940000000e-04
+
+JOB 87
+COORDS  5.4194360000e+00 -3.1723100000e-01 -1.9660080000e+00  5.1784750000e+00  4.0451500000e-01 -2.5467430000e+00  5.3864960000e+00  6.0634000000e-02 -1.0871650000e+00 -5.3974300000e+00  2.6565000000e-01  2.0175440000e+00 -4.7613600000e+00 -1.2341500000e-01  1.4173150000e+00 -6.1638670000e+00  4.4387700000e-01  1.4725290000e+00
+ENERGY -1.526540982145e+02
+FORCES -1.0647000000e-03  4.4978000000e-03  1.2386000000e-03  9.5470000000e-04 -2.9549000000e-03  2.3597000000e-03  1.1320000000e-04 -1.5471000000e-03 -3.6013000000e-03 -5.5680000000e-04 -9.0720000000e-04 -4.6689000000e-03 -2.5812000000e-03  1.6210000000e-03  2.4503000000e-03  3.1348000000e-03 -7.0960000000e-04  2.2217000000e-03
+
+JOB 88
+COORDS -6.5027700000e+00 -2.0653700000e-01  2.4424300000e+00 -5.6642870000e+00  8.6200000000e-02  2.7994810000e+00 -6.6087320000e+00 -1.0967830000e+00  2.7777890000e+00  6.4844490000e+00  2.4318900000e-01 -2.4102100000e+00  7.0335070000e+00 -7.3383000000e-02 -3.1275310000e+00  5.6372430000e+00  4.2301700000e-01 -2.8178070000e+00
+ENERGY -1.526541041029e+02
+FORCES  2.9914000000e-03 -2.4338000000e-03  2.8459000000e-03 -3.4237000000e-03 -1.1945000000e-03 -1.4689000000e-03  4.2840000000e-04  3.6283000000e-03 -1.3771000000e-03 -1.2060000000e-03 -5.4520000000e-04 -4.6078000000e-03 -2.2411000000e-03  1.2861000000e-03  2.9311000000e-03  3.4510000000e-03 -7.4090000000e-04  1.6767000000e-03
+
+JOB 89
+COORDS -3.5553870000e+00  3.2328470000e+00  5.5643900000e+00 -3.3981810000e+00  2.4197010000e+00  5.0844820000e+00 -2.6809430000e+00  3.5582210000e+00  5.7781950000e+00  3.5378820000e+00 -3.2574650000e+00 -5.5455320000e+00  3.8540640000e+00 -2.3636920000e+00 -5.4135070000e+00  2.5961560000e+00 -3.1604600000e+00 -5.6868620000e+00
+ENERGY -1.526540639962e+02
+FORCES  4.2055000000e-03 -1.9979000000e-03 -1.0528000000e-03 -6.3950000000e-04  3.3245000000e-03  1.9388000000e-03 -3.5669000000e-03 -1.3249000000e-03 -8.8860000000e-04 -2.5458000000e-03  4.0349000000e-03 -7.8800000000e-05 -1.2952000000e-03 -3.6453000000e-03 -5.1680000000e-04  3.8420000000e-03 -3.9120000000e-04  5.9820000000e-04
+
+JOB 0
+COORDS -6.8705100000e-01 -4.7308800000e-01  8.7317800000e-01 -1.3413110000e+00 -9.7942900000e-01  1.3546290000e+00  9.6754000000e-02 -5.1100700000e-01  1.4213050000e+00  7.3921500000e-01  4.9002800000e-01 -9.7182000000e-01  3.4053900000e-01 -4.2156000000e-02 -2.8329300000e-01  1.8101200000e-01  1.2654880000e+00 -1.0292900000e+00
+ENERGY -1.526510668084e+02
+FORCES  7.5232000000e-03  3.4984000000e-03 -1.2122900000e-02  4.4543000000e-03  3.9669000000e-03 -6.9130000000e-04 -3.2926000000e-03  3.2150000000e-04 -9.2860000000e-03 -1.7378000000e-02 -6.1887000000e-03  1.2443900000e-02  6.8098000000e-03 -6.3570000000e-04  1.0251700000e-02  1.8833000000e-03 -9.6240000000e-04 -5.9540000000e-04
+
+JOB 1
+COORDS -5.2215900000e-01  6.9367400000e-01  1.0195270000e+00 -5.2859500000e-01  1.9948600000e-01  1.9979000000e-01 -1.1387420000e+00  1.4108650000e+00  8.7223200000e-01  5.6088900000e-01 -6.9906000000e-01 -8.9017200000e-01  1.5249800000e-01 -1.4109870000e+00 -1.3827240000e+00  9.3567600000e-01 -1.2765400000e-01 -1.5604430000e+00
+ENERGY -1.526566489367e+02
+FORCES  5.7090000000e-03 -8.8526000000e-03 -1.1587600000e-02 -6.5837000000e-03  5.3376000000e-03  5.1028000000e-03  2.9092000000e-03 -3.2108000000e-03 -2.3363000000e-03  5.9290000000e-04  4.7513000000e-03  2.5352000000e-03  7.0650000000e-04  5.3685000000e-03  3.2930000000e-03 -3.3339000000e-03 -3.3941000000e-03  2.9929000000e-03
+
+JOB 2
+COORDS  8.4091300000e-01  5.4708100000e-01 -9.2067700000e-01  2.3452300000e-01  2.5393400000e-01 -2.4053900000e-01  4.1431700000e-01  3.0562300000e-01 -1.7428370000e+00 -7.4280700000e-01 -4.5959400000e-01  9.2924700000e-01 -1.5960310000e+00 -5.5684700000e-01  5.0642200000e-01 -5.6903000000e-01 -1.3164300000e+00  1.3189470000e+00
+ENERGY -1.526576965208e+02
+FORCES -1.1343200000e-02 -8.1430000000e-03  1.2705100000e-02  2.6196000000e-03  4.4950000000e-03 -8.0711000000e-03 -4.3250000000e-04 -2.0700000000e-05  3.3140000000e-03  5.8444000000e-03 -7.2000000000e-04 -6.2172000000e-03  6.1957000000e-03  2.4490000000e-04  4.2320000000e-04 -2.8840000000e-03  4.1438000000e-03 -2.1540000000e-03
+
+JOB 3
+COORDS  5.5413000000e-01  1.2416790000e+00  1.1898700000e-01  1.2023780000e+00  1.2354460000e+00 -5.8526300000e-01  3.5098100000e-01  3.1796600000e-01  2.6635200000e-01 -5.6758800000e-01 -1.1648370000e+00 -2.6547000000e-02 -4.6396000000e-02 -1.8456020000e+00 -4.5216500000e-01 -1.2528930000e+00 -9.5532300000e-01 -6.6112800000e-01
+ENERGY -1.526583404356e+02
+FORCES -5.2019000000e-03 -1.6599200000e-02 -1.5348000000e-03 -2.3649000000e-03 -1.2262000000e-03  1.5421000000e-03  4.9771000000e-03  8.1378000000e-03  3.4050000000e-04  3.2990000000e-04  7.1923000000e-03 -4.3172000000e-03 -1.8380000000e-03  5.2411000000e-03  1.3288000000e-03  4.0978000000e-03 -2.7458000000e-03  2.6405000000e-03
+
+JOB 4
+COORDS -6.6519000000e-02  5.8163900000e-01  1.1315760000e+00  6.7089300000e-01  4.8848900000e-01  1.7347170000e+00 -4.4882800000e-01  1.4317090000e+00  1.3494130000e+00  9.0824000000e-02 -6.2499700000e-01 -1.2367080000e+00 -7.5796100000e-01 -1.0632730000e+00 -1.1758080000e+00  2.0703300000e-01 -2.0733400000e-01 -3.8331300000e-01
+ENERGY -1.526592023781e+02
+FORCES -1.2260000000e-04  1.2710000000e-04 -6.5809000000e-03 -3.8471000000e-03  1.0132000000e-03 -4.1077000000e-03  2.5118000000e-03 -4.5044000000e-03  1.0093000000e-03 -3.9883000000e-03  7.0413000000e-03  1.5526200000e-02  1.8177000000e-03  1.1589000000e-03 -5.7240000000e-04  3.6286000000e-03 -4.8362000000e-03 -5.2746000000e-03
+
+JOB 5
+COORDS -5.6961000000e-02  1.3085190000e+00 -1.3337600000e-01  2.7145900000e-01  1.6645800000e+00 -9.5896300000e-01  5.3512100000e-01  1.6595470000e+00  5.3179300000e-01  6.6267000000e-02 -1.3640220000e+00  1.1166900000e-01 -6.1225100000e-01 -1.8824060000e+00  5.4424700000e-01 -2.2040900000e-01 -4.5696400000e-01  2.1794800000e-01
+ENERGY -1.526600418158e+02
+FORCES  4.6741000000e-03 -4.7906000000e-03 -3.0845000000e-03 -9.4510000000e-04  2.7230000000e-04  4.7973000000e-03 -3.1025000000e-03 -2.4472000000e-03 -3.3969000000e-03 -2.1697000000e-03  1.2734200000e-02 -1.7090000000e-03  1.4484000000e-03  3.9973000000e-03 -1.0205000000e-03  9.4900000000e-05 -9.7661000000e-03  4.4136000000e-03
+
+JOB 6
+COORDS  1.6650800000e-01 -2.8062600000e-01 -1.3056300000e+00  2.7555200000e-01  2.0305700000e-01 -2.1244050000e+00  6.5787300000e-01  2.2697500000e-01 -6.5977100000e-01 -2.2454200000e-01  1.6911900000e-01  1.2675720000e+00 -2.9267400000e-01  1.1200010000e+00  1.1814740000e+00  2.0742000000e-01  3.4869000000e-02  2.1111460000e+00
+ENERGY -1.526520699659e+02
+FORCES  1.1939000000e-03  1.3025000000e-03  8.6921000000e-03 -1.1106000000e-03 -5.7740000000e-04  5.3548000000e-03  3.3380000000e-04  2.3245000000e-03 -6.2447000000e-03 -2.0601000000e-03  1.7209000000e-03 -6.3230000000e-04  3.2711000000e-03 -5.1203000000e-03 -1.8548000000e-03 -1.6281000000e-03  3.4980000000e-04 -5.3152000000e-03
+
+JOB 7
+COORDS -6.1648700000e-01  1.1478220000e+00 -1.0301700000e-01 -6.1416100000e-01  1.3494240000e+00 -1.0387430000e+00 -1.5050820000e+00  1.3565000000e+00  1.8522800000e-01  7.0284300000e-01 -1.2050810000e+00  1.9433800000e-01  8.5723700000e-01 -1.3379760000e+00 -7.4093300000e-01  4.1782000000e-02 -5.1387500000e-01  2.3260900000e-01
+ENERGY -1.526582254242e+02
+FORCES  1.1342000000e-03 -1.9219000000e-03 -2.7075000000e-03 -6.2540000000e-04 -1.8320000000e-03  4.8566000000e-03  4.9183000000e-03 -2.0787000000e-03 -1.9848000000e-03 -7.3514000000e-03  1.3571600000e-02 -3.6342000000e-03 -4.9660000000e-04  9.2770000000e-04  2.0627000000e-03  2.4209000000e-03 -8.6667000000e-03  1.4072000000e-03
+
+JOB 8
+COORDS -4.0255700000e-01  7.9257300000e-01 -1.1199720000e+00 -1.1172260000e+00  1.6235800000e-01 -1.0288260000e+00  3.6410000000e-03  8.2172800000e-01 -2.5372400000e-01  3.7386200000e-01 -7.2807200000e-01  1.0928850000e+00  1.2650610000e+00 -3.9737200000e-01  9.8048800000e-01  3.3885000000e-01 -1.5137840000e+00  5.4730000000e-01
+ENERGY -1.526553687184e+02
+FORCES -1.0896000000e-03 -8.0622000000e-03  1.2861600000e-02  1.4935000000e-03  9.0650000000e-04 -2.8832000000e-03  4.1326000000e-03  4.1416000000e-03 -3.9814000000e-03  2.5190000000e-03 -2.0376000000e-03 -7.8757000000e-03 -6.2937000000e-03  1.5094000000e-03 -9.9290000000e-04 -7.6180000000e-04  3.5423000000e-03  2.8718000000e-03
+
+JOB 9
+COORDS  9.9663300000e-01  5.5903600000e-01  6.4523800000e-01  1.9353140000e+00  6.1045500000e-01  4.6505700000e-01  8.3646400000e-01  1.2537250000e+00  1.2839750000e+00 -1.0689930000e+00 -5.6987700000e-01 -7.2043300000e-01 -1.4381000000e-01 -4.5507800000e-01 -5.0343600000e-01 -1.3966870000e+00 -1.1796170000e+00 -5.9323000000e-02
+ENERGY -1.526579651912e+02
+FORCES -5.1105000000e-03  2.8193000000e-03  3.6840000000e-04 -5.2960000000e-03 -5.8600000000e-04  1.6830000000e-04  3.1062000000e-03 -3.1064000000e-03 -2.0953000000e-03  9.6395000000e-03  3.7187000000e-03  8.8465000000e-03 -2.8864000000e-03 -4.8693000000e-03 -5.5548000000e-03  5.4720000000e-04  2.0235000000e-03 -1.7330000000e-03
+
+JOB 10
+COORDS -7.4824800000e-01 -8.5371000000e-01 -7.2163700000e-01 -6.1417800000e-01 -1.5975630000e+00 -1.3089530000e+00 -1.1279240000e+00 -1.7382900000e-01 -1.2782700000e+00  8.2240100000e-01  8.6848600000e-01  8.0736700000e-01  2.0311000000e-01  1.5577860000e+00  5.6741500000e-01  3.6263100000e-01  5.2869000000e-02  6.0833800000e-01
+ENERGY -1.526582708994e+02
+FORCES  2.5891000000e-03  2.6886000000e-03 -3.1397000000e-03 -1.0808000000e-03  3.9966000000e-03  1.9816000000e-03  1.4835000000e-03 -3.0044000000e-03  2.9601000000e-03 -8.5329000000e-03 -6.9932000000e-03 -6.7625000000e-03  1.6447000000e-03 -1.5216000000e-03 -1.9340000000e-04  3.8964000000e-03  4.8341000000e-03  5.1538000000e-03
+
+JOB 11
+COORDS  5.7266900000e-01 -6.4541400000e-01 -1.0976360000e+00 -1.0642800000e-01 -2.8480000000e-02 -8.2477800000e-01  5.9726300000e-01 -5.6883800000e-01 -2.0514510000e+00 -5.0200700000e-01  6.3707300000e-01  1.0879670000e+00 -1.6655100000e-01  2.0966500000e-01  1.8760170000e+00 -1.4468310000e+00  4.8641200000e-01  1.1169470000e+00
+ENERGY -1.526571542160e+02
+FORCES -3.2954000000e-03  5.6219000000e-03  5.3932000000e-03 -6.3400000000e-05 -4.0255000000e-03 -8.0420000000e-03 -1.4010000000e-03  1.0666000000e-03  4.4421000000e-03  2.8645000000e-03 -5.7121000000e-03  3.0980000000e-03 -3.0417000000e-03  2.9478000000e-03 -2.0706000000e-03  4.9370000000e-03  1.0130000000e-04 -2.8207000000e-03
+
+JOB 12
+COORDS  1.2517370000e+00  1.0947700000e-01  6.9516100000e-01  1.8972010000e+00  1.5412000000e-01 -1.0258000000e-02  4.1397900000e-01 -6.5480000000e-03  2.4690700000e-01 -1.1902810000e+00 -5.7518000000e-02 -5.8599100000e-01 -1.1049850000e+00 -3.6939500000e-01 -1.4869280000e+00 -1.9914890000e+00 -4.7050600000e-01 -2.6390600000e-01
+ENERGY -1.526602064924e+02
+FORCES -1.1045800000e-02 -2.4030000000e-04 -7.2712000000e-03 -2.8535000000e-03 -4.8710000000e-04  1.0400000000e-03  9.7986000000e-03 -1.8500000000e-05  3.1293000000e-03  3.0950000000e-04 -2.3645000000e-03  1.1242000000e-03  1.6090000000e-04  1.2563000000e-03  5.0781000000e-03  3.6302000000e-03  1.8541000000e-03 -3.1003000000e-03
+
+JOB 13
+COORDS -1.8837000000e-02 -1.3817600000e+00  3.5809000000e-02 -8.6093300000e-01 -1.7901670000e+00  2.3658400000e-01  1.4555100000e-01 -1.6082480000e+00 -8.7956600000e-01  7.3601000000e-02  1.4634140000e+00  6.0333000000e-02 -2.3926200000e-01  1.7380880000e+00 -8.0158500000e-01  1.3961500000e-01  5.1045200000e-01 -7.9900000000e-04
+ENERGY -1.526601507633e+02
+FORCES -3.9961000000e-03 -1.9854000000e-03 -6.4770000000e-04  4.5013000000e-03  1.2007000000e-03 -2.1615000000e-03 -1.6232000000e-03  3.5062000000e-03  4.5671000000e-03 -1.2180000000e-03 -1.1233800000e-02 -1.2953000000e-03  9.4650000000e-04 -2.0376000000e-03  2.2723000000e-03  1.3895000000e-03  1.0549900000e-02 -2.7349000000e-03
+
+JOB 14
+COORDS  7.8210500000e-01  4.8007300000e-01 -1.1569450000e+00  1.3184600000e-01  4.1169500000e-01 -4.5786000000e-01  1.6135210000e+00  6.0661300000e-01 -6.9981500000e-01 -7.9726700000e-01 -4.2608500000e-01  1.0507400000e+00 -6.4997500000e-01 -1.3337750000e+00  7.8496800000e-01 -8.7195500000e-01 -4.6431800000e-01  2.0042560000e+00
+ENERGY -1.526607353084e+02
+FORCES -3.1301000000e-03 -2.9510000000e-04  1.0259300000e-02  3.8728000000e-03 -1.6320000000e-04 -7.9250000000e-03 -2.0358000000e-03 -6.3840000000e-04 -1.6918000000e-03  1.1235000000e-03 -2.6747000000e-03  1.6969000000e-03 -4.7350000000e-04  5.1767000000e-03  1.9557000000e-03  6.4320000000e-04 -1.4053000000e-03 -4.2951000000e-03
+
+JOB 15
+COORDS  1.7105300000e-01  7.0770700000e-01 -1.3014640000e+00 -4.5386500000e-01  1.3303620000e+00 -9.2996600000e-01  1.3283100000e-01 -4.8766000000e-02 -7.1621200000e-01 -1.4780800000e-01 -6.6721500000e-01  1.1830070000e+00  5.6857400000e-01 -1.2818440000e+00  1.3419410000e+00 -5.9075700000e-01 -5.9120800000e-01  2.0281400000e+00
+ENERGY -1.526584376009e+02
+FORCES -4.3411000000e-03 -2.8274000000e-03  1.1659000000e-02  1.4189000000e-03 -1.5670000000e-04 -2.6020000000e-03  3.5076000000e-03 -2.4630000000e-04 -6.3629000000e-03  4.4240000000e-04  8.2080000000e-04  2.2621000000e-03 -3.8305000000e-03  3.0983000000e-03 -1.7571000000e-03  2.8028000000e-03 -6.8870000000e-04 -3.1992000000e-03
+
+JOB 16
+COORDS -2.3697200000e-01  9.2975200000e-01  1.1195870000e+00  7.1352000000e-01  8.5545100000e-01  1.2048900000e+00 -5.5240900000e-01  2.6708000000e-02  1.1548530000e+00  2.4767100000e-01 -8.8504600000e-01 -1.1711540000e+00  2.1909200000e-01 -1.6532800000e-01 -5.4074100000e-01 -5.6774200000e-01 -1.3646050000e+00 -1.0250150000e+00
+ENERGY -1.526543199672e+02
+FORCES  2.6926000000e-03 -3.9024000000e-03  4.4113000000e-03 -5.9303000000e-03 -4.5190000000e-04 -4.2927000000e-03  2.4140000000e-03  4.0555000000e-03 -6.5726000000e-03 -5.3708000000e-03  6.3358000000e-03  3.8799000000e-03  2.7599000000e-03 -7.9457000000e-03  1.1550000000e-03  3.4347000000e-03  1.9088000000e-03  1.4191000000e-03
+
+JOB 17
+COORDS  9.2733000000e-02 -6.2205100000e-01  1.3455320000e+00  9.6332300000e-01 -1.0182390000e+00  1.3089220000e+00  4.2059000000e-02 -8.0786000000e-02  5.5768900000e-01 -1.5224500000e-01  6.1105600000e-01 -1.2308480000e+00 -2.3815000000e-01 -1.1391200000e-01 -1.8499390000e+00  1.1754900000e-01  1.3553730000e+00 -1.7688410000e+00
+ENERGY -1.526612541030e+02
+FORCES  2.0548000000e-03  4.8715000000e-03 -8.7031000000e-03 -2.6527000000e-03  8.9100000000e-04 -3.3010000000e-04  3.5480000000e-04 -5.4989000000e-03  7.8760000000e-03  2.8160000000e-04 -5.6700000000e-05 -2.5730000000e-03  1.3143000000e-03  4.1618000000e-03  2.6167000000e-03 -1.3526000000e-03 -4.3687000000e-03  1.1134000000e-03
+
+JOB 18
+COORDS -9.1624300000e-01  1.0605060000e+00 -3.0541600000e-01 -8.0219100000e-01  3.2436200000e-01 -9.0651100000e-01 -1.8486340000e+00  1.2706540000e+00 -3.5752800000e-01  1.0052830000e+00 -1.0261130000e+00  2.8837300000e-01  4.8439300000e-01 -1.7884290000e+00  5.4092100000e-01  8.1229800000e-01 -3.7078700000e-01  9.5884800000e-01
+ENERGY -1.526580904420e+02
+FORCES  1.6460000000e-04 -3.9158000000e-03 -4.0004000000e-03 -4.1948000000e-03  4.6411000000e-03  1.8563000000e-03  3.9745000000e-03 -2.2105000000e-03  4.0710000000e-04 -4.0660000000e-03  3.3758000000e-03  5.5287000000e-03  1.2355000000e-03  3.2116000000e-03 -2.1093000000e-03  2.8862000000e-03 -5.1021000000e-03 -1.6824000000e-03
+
+JOB 19
+COORDS  1.4026940000e+00  4.4685400000e-01 -3.1952400000e-01  1.4123570000e+00  1.3047550000e+00  1.0490900000e-01  4.9431600000e-01  1.5374800000e-01 -2.4762300000e-01 -1.3333840000e+00 -4.2180300000e-01  3.1600300000e-01 -1.8807490000e+00 -5.5697400000e-01 -4.5752900000e-01 -1.0729590000e+00 -1.3034240000e+00  5.8275100000e-01
+ENERGY -1.526614805058e+02
+FORCES -1.0286700000e-02  9.2100000000e-04  3.7215000000e-03  3.6850000000e-04 -2.4270000000e-03 -1.4409000000e-03  9.8981000000e-03  1.3280000000e-04 -3.0788000000e-03 -3.4304000000e-03 -4.5442000000e-03 -2.3420000000e-04  3.8264000000e-03  5.3000000000e-04  3.7733000000e-03 -3.7600000000e-04  5.3875000000e-03 -2.7409000000e-03
+
+JOB 20
+COORDS -4.7642100000e-01  1.1878690000e+00 -7.9632900000e-01 -7.6466000000e-02  4.4973700000e-01 -3.3651600000e-01 -1.2337140000e+00  8.1012500000e-01 -1.2435960000e+00  4.3268500000e-01 -1.0964120000e+00  7.6766600000e-01  8.6610900000e-01 -8.8930700000e-01  1.5956050000e+00  9.8775200000e-01 -1.7654330000e+00  3.6698800000e-01
+ENERGY -1.526618411383e+02
+FORCES  6.1600000000e-04 -9.6303000000e-03  4.6474000000e-03 -2.1694000000e-03  8.3424000000e-03 -5.7616000000e-03  2.3630000000e-03  1.0307000000e-03  9.1420000000e-04  3.3919000000e-03 -1.6005000000e-03  2.4710000000e-03 -1.5367000000e-03 -1.6524000000e-03 -4.5277000000e-03 -2.6647000000e-03  3.5101000000e-03  2.2567000000e-03
+
+JOB 21
+COORDS  1.1053170000e+00  5.3265000000e-02 -1.0016770000e+00  1.9892980000e+00 -8.8159000000e-02 -6.6284400000e-01  5.3287700000e-01 -9.9087000000e-02 -2.4979000000e-01 -1.1060210000e+00 -1.2430000000e-02  8.8897400000e-01 -1.5982230000e+00  4.3778600000e-01  1.5754690000e+00 -9.5963400000e-01 -8.9228400000e-01  1.2363330000e+00
+ENERGY -1.526584348022e+02
+FORCES -4.1291000000e-03  1.3380000000e-03  6.4741000000e-03 -3.6520000000e-03  1.4400000000e-04 -2.5970000000e-04  7.2146000000e-03 -4.7305000000e-03 -4.4732000000e-03 -3.1126000000e-03  1.3331000000e-03  3.6414000000e-03  1.5061000000e-03 -3.4689000000e-03 -2.5894000000e-03  2.1730000000e-03  5.3843000000e-03 -2.7932000000e-03
+
+JOB 22
+COORDS -2.0293800000e-01 -1.1922520000e+00 -7.3860400000e-01 -1.1978400000e-01 -1.3799620000e+00 -1.6735280000e+00  5.1155000000e-02 -2.0077370000e+00 -3.0657000000e-01  2.1886000000e-01  1.2263960000e+00  8.2366000000e-01  2.7689000000e-01  8.3904900000e-01 -4.9739000000e-02 -4.0274900000e-01  1.9476440000e+00  7.2550500000e-01
+ENERGY -1.526580050947e+02
+FORCES  1.0004000000e-03 -5.3981000000e-03  1.9459000000e-03 -6.6400000000e-05  2.2477000000e-03  4.5787000000e-03 -1.4498000000e-03  2.7617000000e-03 -3.4399000000e-03 -3.2497000000e-03 -4.6438000000e-03 -5.8503000000e-03  1.7526000000e-03  7.7844000000e-03  2.9844000000e-03  2.0129000000e-03 -2.7519000000e-03 -2.1880000000e-04
+
+JOB 23
+COORDS  7.1604700000e-01 -1.0780060000e+00  5.9053900000e-01  7.0640700000e-01 -1.4740840000e+00  1.4618950000e+00  1.6333680000e+00 -1.1160090000e+00  3.1978200000e-01 -8.2810700000e-01  1.1354980000e+00 -6.1434900000e-01 -9.7484000000e-02  1.4227830000e+00 -1.1619700000e+00 -5.4682600000e-01  2.9083200000e-01 -2.6270700000e-01
+ENERGY -1.526602463809e+02
+FORCES  3.1160000000e-03 -3.8330000000e-04  2.7760000000e-03  1.1524000000e-03  1.3840000000e-03 -4.1362000000e-03 -4.0727000000e-03  9.6400000000e-05  1.5609000000e-03  7.0055000000e-03 -6.7061000000e-03  2.5715000000e-03 -1.9879000000e-03 -5.5650000000e-04  1.3246000000e-03 -5.2133000000e-03  6.1655000000e-03 -4.0968000000e-03
+
+JOB 24
+COORDS  1.1614400000e-01 -7.0785000000e-02  1.4729530000e+00  1.0359950000e+00 -1.9151000000e-01  1.2373010000e+00  1.1204100000e-01  7.0423100000e-01  2.0347050000e+00 -1.6331000000e-01 -2.2014000000e-02 -1.5359960000e+00 -4.7715000000e-02  8.9763000000e-01 -1.7750030000e+00 -4.0495500000e-01 -7.8200000000e-04 -6.1004300000e-01
+ENERGY -1.526605402854e+02
+FORCES  5.1180000000e-03  1.6634000000e-03  3.2334000000e-03 -5.3751000000e-03  1.6244000000e-03  1.0408000000e-03  5.2500000000e-04 -3.3482000000e-03 -3.1956000000e-03 -1.8347000000e-03  3.1801000000e-03  7.3023000000e-03  1.0400000000e-04 -3.0108000000e-03  1.1200000000e-03  1.4628000000e-03 -1.0890000000e-04 -9.5010000000e-03
+
+JOB 25
+COORDS -6.6444100000e-01 -1.0281480000e+00 -9.0985900000e-01  6.0620000000e-02 -4.8867600000e-01 -5.9444300000e-01 -2.8496000000e-01 -1.5510720000e+00 -1.6161000000e+00  6.1201400000e-01  9.7830700000e-01  8.9661500000e-01 -5.1102000000e-02  1.0418440000e+00  1.5839800000e+00  1.0663220000e+00  1.8204160000e+00  9.2285800000e-01
+ENERGY -1.526607859185e+02
+FORCES  5.3210000000e-03  3.2783000000e-03  1.5509000000e-03 -4.1446000000e-03 -6.8976000000e-03 -5.4579000000e-03 -5.8390000000e-04  2.4377000000e-03  2.5354000000e-03 -2.3189000000e-03  3.7400000000e-03  3.3922000000e-03  3.9287000000e-03  8.8980000000e-04 -2.5416000000e-03 -2.2022000000e-03 -3.4482000000e-03  5.2100000000e-04
+
+JOB 26
+COORDS -1.0665600000e+00 -6.9068400000e-01 -9.3377100000e-01 -1.3459720000e+00  9.8289000000e-02 -4.6935400000e-01 -1.1040100000e-01 -6.6448600000e-01 -8.9764600000e-01  9.7387000000e-01  6.1217600000e-01  8.9463500000e-01  1.1299680000e+00  1.5489310000e+00  7.7482000000e-01  1.8024480000e+00  2.7206700000e-01  1.2322970000e+00
+ENERGY -1.526579336187e+02
+FORCES  6.3490000000e-03  5.3125000000e-03  6.8937000000e-03 -1.8968000000e-03 -1.6916000000e-03 -3.1611000000e-03 -3.3534000000e-03 -2.9203000000e-03 -4.1710000000e-03  3.9767000000e-03  2.2175000000e-03  2.5344000000e-03 -1.3941000000e-03 -4.6061000000e-03  2.0950000000e-04 -3.6813000000e-03  1.6880000000e-03 -2.3054000000e-03
+
+JOB 27
+COORDS  8.7333600000e-01  1.2192860000e+00  1.7469400000e-01  1.0752670000e+00  1.6383490000e+00 -6.6187100000e-01  8.3702000000e-02  1.6646980000e+00  4.8180600000e-01 -9.0269500000e-01 -1.2811400000e+00 -1.3052600000e-01 -2.2600000000e-01 -8.4177600000e-01  3.8452200000e-01 -4.6429000000e-01 -1.5227860000e+00 -9.4639400000e-01
+ENERGY -1.526585810855e+02
+FORCES -3.5004000000e-03  4.2758000000e-03 -3.8404000000e-03 -7.7290000000e-04 -1.5249000000e-03  3.6175000000e-03  4.0619000000e-03 -2.6532000000e-03 -8.6330000000e-04  8.2344000000e-03  4.2768000000e-03 -1.4891000000e-03 -5.7395000000e-03 -4.4406000000e-03  5.2450000000e-04 -2.2835000000e-03  6.6100000000e-05  2.0508000000e-03
+
+JOB 28
+COORDS  3.7221600000e-01  1.1702170000e+00 -1.0036880000e+00  7.1049100000e-01  7.2985100000e-01 -2.2402100000e-01 -5.3701300000e-01  1.3767540000e+00 -7.8717800000e-01 -2.8002800000e-01 -1.1298320000e+00  9.4494800000e-01 -7.7969900000e-01 -1.3552340000e+00  1.7296480000e+00 -8.3205400000e-01 -1.4178840000e+00  2.1795100000e-01
+ENERGY -1.526589245152e+02
+FORCES -2.3678000000e-03 -3.0570000000e-03  7.6138000000e-03  7.9950000000e-04  4.3238000000e-03 -5.4729000000e-03  2.2813000000e-03 -5.1360000000e-04 -2.1959000000e-03 -4.0690000000e-03 -3.6343000000e-03 -2.7270000000e-04  1.6088000000e-03  1.1839000000e-03 -3.9826000000e-03  1.7472000000e-03  1.6972000000e-03  4.3104000000e-03
+
+JOB 29
+COORDS -4.0777000000e-01  1.4452460000e+00  4.9145900000e-01  2.5168400000e-01  1.5548230000e+00  1.1765460000e+00 -5.6319300000e-01  5.0138700000e-01  4.5672500000e-01  3.4273200000e-01 -1.3898030000e+00 -4.8915500000e-01  1.2934020000e+00 -1.4970430000e+00 -4.5818600000e-01  1.2050600000e-01 -1.4852010000e+00 -1.4153010000e+00
+ENERGY -1.526590999407e+02
+FORCES  3.2170000000e-03 -7.8023000000e-03  7.2460000000e-04 -1.8390000000e-03 -7.3000000000e-06 -2.2842000000e-03 -2.6422000000e-03  7.5784000000e-03  2.4396000000e-03  4.1392000000e-03  2.6240000000e-04 -4.9264000000e-03 -4.0647000000e-03  2.6400000000e-05 -1.6210000000e-04  1.1897000000e-03 -5.7600000000e-05  4.2086000000e-03
+
+JOB 30
+COORDS  4.4784200000e-01 -1.4574030000e+00  2.3893800000e-01  1.0243280000e+00 -1.6129620000e+00  9.8706800000e-01  1.0289930000e+00 -1.1310370000e+00 -4.4807100000e-01 -5.1128800000e-01  1.5134450000e+00 -2.2613100000e-01 -2.3866900000e-01  8.2110100000e-01  3.7600800000e-01 -6.4080500000e-01  1.0666670000e+00 -1.0626990000e+00
+ENERGY -1.526580281954e+02
+FORCES  5.9021000000e-03 -2.5758000000e-03 -4.2590000000e-04 -3.0116000000e-03  1.8366000000e-03 -3.5085000000e-03 -4.1483000000e-03 -1.0550000000e-04  3.4983000000e-03 -8.0510000000e-04 -8.7454000000e-03  3.1120000000e-04  4.3610000000e-04  7.1589000000e-03 -1.6449000000e-03  1.6268000000e-03  2.4312000000e-03  1.7697000000e-03
+
+JOB 31
+COORDS  7.4013000000e-01  1.3160960000e+00 -5.1082100000e-01  1.3629790000e+00  1.5195600000e+00  1.8695600000e-01  2.4208400000e-01  5.6958800000e-01 -1.7779200000e-01 -7.3366800000e-01 -1.2184470000e+00  4.5711300000e-01 -7.0761700000e-01 -1.8934040000e+00  1.1353360000e+00 -1.0168590000e+00 -1.6813610000e+00 -3.3139600000e-01
+ENERGY -1.526609884003e+02
+FORCES -1.6561000000e-03 -5.6579000000e-03  5.7978000000e-03 -1.7266000000e-03 -3.8870000000e-04 -2.1922000000e-03  3.6774000000e-03  7.2973000000e-03 -4.7417000000e-03 -1.1086000000e-03 -5.4959000000e-03  5.9550000000e-04 -6.9780000000e-04  2.1245000000e-03 -3.5536000000e-03  1.5117000000e-03  2.1208000000e-03  4.0943000000e-03
+
+JOB 32
+COORDS -2.1706600000e-01  2.4479300000e-01 -1.4970200000e+00  4.6285400000e-01 -2.3140900000e-01 -1.9736450000e+00 -6.3048000000e-02  1.1642650000e+00 -1.7140010000e+00  1.3686000000e-01 -2.3792500000e-01  1.5868720000e+00  6.2652600000e-01 -1.0599060000e+00  1.6152760000e+00  1.9906800000e-01  4.7097000000e-02  6.7521200000e-01
+ENERGY -1.526595811734e+02
+FORCES  1.4390000000e-03  1.8862000000e-03 -6.6358000000e-03 -2.8749000000e-03  2.3728000000e-03  3.4208000000e-03 -1.1010000000e-04 -4.9202000000e-03  1.9249000000e-03  2.0400000000e-05 -1.6731000000e-03 -7.9032000000e-03 -1.2933000000e-03  2.6986000000e-03 -2.2270000000e-04  2.8189000000e-03 -3.6420000000e-04  9.4159000000e-03
+
+JOB 33
+COORDS -2.4239300000e-01  1.0760920000e+00  1.1108170000e+00  6.7559900000e-01  1.1008560000e+00  1.3808330000e+00 -6.4801200000e-01  4.3783700000e-01  1.6976180000e+00  2.6610700000e-01 -1.0814150000e+00 -1.1448800000e+00 -1.3735300000e-01 -4.2511300000e-01 -5.7679700000e-01 -2.7731100000e-01 -1.0834300000e+00 -1.9328670000e+00
+ENERGY -1.526605527427e+02
+FORCES  3.4906000000e-03  4.0590000000e-04  6.6888000000e-03 -4.9444000000e-03 -3.4120000000e-04 -1.1251000000e-03  2.0322000000e-03  2.2662000000e-03 -4.5954000000e-03 -3.6395000000e-03  5.6753000000e-03  1.0509000000e-03  1.4568000000e-03 -8.2236000000e-03 -5.0816000000e-03  1.6044000000e-03  2.1750000000e-04  3.0624000000e-03
+
+JOB 34
+COORDS -7.0253100000e-01 -1.3162540000e+00  3.8861500000e-01 -9.3352600000e-01 -1.3113540000e+00  1.3175120000e+00 -1.5435090000e+00 -1.2928820000e+00 -6.7940000000e-02  8.0592400000e-01  1.3667780000e+00 -4.0656200000e-01  7.8082900000e-01  5.5780600000e-01  1.0448200000e-01  8.3104000000e-02  1.2805160000e+00 -1.0281110000e+00
+ENERGY -1.526586068319e+02
+FORCES -5.9873000000e-03 -1.2050000000e-03  1.8090000000e-03  1.5422000000e-03  5.2690000000e-04 -4.5244000000e-03  3.8701000000e-03  3.0970000000e-04  1.9872000000e-03 -4.9190000000e-03 -7.9478000000e-03  4.7600000000e-05  3.5066000000e-03  6.4061000000e-03 -3.0820000000e-04  1.9873000000e-03  1.9102000000e-03  9.8870000000e-04
+
+JOB 35
+COORDS  1.1856570000e+00 -4.5665000000e-02  1.0589260000e+00  2.0659190000e+00  1.2379400000e-01  7.2328600000e-01  6.6889700000e-01  7.0542100000e-01  7.6727400000e-01 -1.1400270000e+00  1.5958000000e-02 -1.0301920000e+00 -1.5217480000e+00 -7.3279500000e-01 -1.4883300000e+00 -1.8514050000e+00  3.5172600000e-01 -4.8481800000e-01
+ENERGY -1.526544000323e+02
+FORCES -1.2299000000e-03  3.1868000000e-03 -6.2643000000e-03 -3.0623000000e-03 -8.5310000000e-04  1.4063000000e-03  2.7233000000e-03 -7.4810000000e-04  4.4859000000e-03 -3.4648000000e-03 -4.6348000000e-03  7.2390000000e-04  9.3390000000e-04  3.4727000000e-03  1.3965000000e-03  4.0998000000e-03 -4.2350000000e-04 -1.7484000000e-03
+
+JOB 36
+COORDS  9.0803500000e-01 -3.8943500000e-01 -1.3009830000e+00  1.4710610000e+00  3.0573000000e-01 -9.6042700000e-01  6.5833000000e-02  3.8205000000e-02 -1.4560660000e+00 -8.8136800000e-01  3.3682400000e-01  1.3586380000e+00 -9.9910700000e-01 -5.1457600000e-01  9.3734600000e-01 -9.6868400000e-01  9.7089100000e-01  6.4690300000e-01
+ENERGY -1.526532203034e+02
+FORCES  4.1090000000e-04  5.2353000000e-03  1.9661000000e-03 -2.6428000000e-03 -2.6871000000e-03 -2.5874000000e-03  2.0053000000e-03 -1.7764000000e-03  2.3705000000e-03  7.2120000000e-04 -2.9012000000e-03 -5.1696000000e-03 -1.4640000000e-03  4.4010000000e-03  2.0495000000e-03  9.6940000000e-04 -2.2717000000e-03  1.3709000000e-03
+
+JOB 37
+COORDS  2.0426500000e-01 -1.1947100000e+00 -9.9387300000e-01  1.0082040000e+00 -1.7133580000e+00 -1.0241550000e+00 -4.9954900000e-01 -1.8433750000e+00 -9.8328600000e-01 -2.4653200000e-01  1.2731940000e+00  1.0556880000e+00 -1.2263500000e-01  1.7972150000e+00  2.6430800000e-01  2.2732600000e-01  4.5993100000e-01  8.8163600000e-01
+ENERGY -1.526586687142e+02
+FORCES -1.4631000000e-03 -6.0057000000e-03 -2.0275000000e-03 -3.6379000000e-03  2.9024000000e-03  1.0357000000e-03  3.8277000000e-03  2.4345000000e-03 -2.9500000000e-04  2.2553000000e-03 -4.1025000000e-03 -7.1835000000e-03 -5.1750000000e-04 -2.1270000000e-04  3.4909000000e-03 -4.6450000000e-04  4.9840000000e-03  4.9795000000e-03
+
+JOB 38
+COORDS  1.5307550000e+00  3.2951100000e-01  2.2384200000e-01  1.3293980000e+00  1.2000120000e+00 -1.1954400000e-01  2.4432450000e+00  1.7925100000e-01 -2.3172000000e-02 -1.6231850000e+00 -3.9285200000e-01 -1.6626900000e-01 -8.8781600000e-01 -3.9400000000e-03  3.0724100000e-01 -1.3557550000e+00 -3.7050700000e-01 -1.0850800000e+00
+ENERGY -1.526571811535e+02
+FORCES  5.8063000000e-03  1.7678000000e-03 -1.9367000000e-03 -1.0272000000e-03 -4.9914000000e-03  1.5066000000e-03 -3.8769000000e-03  1.4463000000e-03  7.1700000000e-04  7.5681000000e-03 -8.5600000000e-05 -1.0290000000e-03 -6.3555000000e-03  1.2946000000e-03 -1.8376000000e-03 -2.1149000000e-03  5.6840000000e-04  2.5796000000e-03
+
+JOB 39
+COORDS -1.3714850000e+00  9.0977400000e-01 -4.0237800000e-01 -9.3953300000e-01  9.7728000000e-02 -6.6738800000e-01 -7.2932200000e-01  1.3534090000e+00  1.5174000000e-01  1.2485250000e+00 -8.9611100000e-01  3.6221900000e-01  2.0463690000e+00 -8.6774400000e-01 -1.6586500000e-01  1.5507940000e+00 -7.6505000000e-01  1.2609340000e+00
+ENERGY -1.526584170223e+02
+FORCES  7.3712000000e-03 -4.0241000000e-03  2.2905000000e-03 -4.6932000000e-03  3.7803000000e-03 -1.6861000000e-03 -3.3099000000e-03  7.3760000000e-04 -1.3393000000e-03  5.4552000000e-03 -6.9580000000e-04  2.5642000000e-03 -3.8096000000e-03  1.7730000000e-04  2.4396000000e-03 -1.0138000000e-03  2.4700000000e-05 -4.2689000000e-03
+
+JOB 40
+COORDS  5.0760500000e-01  2.9009300000e-01  1.4653820000e+00  1.2760840000e+00  6.8664300000e-01  1.8757730000e+00 -2.0971100000e-01  4.7285100000e-01  2.0722510000e+00 -5.5952200000e-01 -3.4098300000e-01 -1.5688600000e+00 -5.9360000000e-01  3.8227900000e-01 -9.4279000000e-01  2.7997200000e-01 -7.6762000000e-01 -1.3972130000e+00
+ENERGY -1.526581677178e+02
+FORCES  4.7870000000e-04  1.6046000000e-03  5.9864000000e-03 -3.5039000000e-03 -1.9112000000e-03 -1.8646000000e-03  3.3385000000e-03 -1.1800000000e-04 -3.0893000000e-03  4.9491000000e-03  1.2604000000e-03  7.0274000000e-03 -2.5817000000e-03 -1.4125000000e-03 -4.9715000000e-03 -2.6807000000e-03  5.7670000000e-04 -3.0884000000e-03
+
+JOB 41
+COORDS  2.3205900000e-01 -5.0647000000e-01  1.5187170000e+00  1.1262110000e+00 -3.0918600000e-01  1.7976490000e+00 -3.0916200000e-01  1.3865600000e-01  1.9738260000e+00 -3.0245500000e-01  4.4198300000e-01 -1.5639050000e+00  1.8001200000e-01  1.0812340000e+00 -2.0881340000e+00  2.6864900000e-01  2.6449600000e-01 -8.1652900000e-01
+ENERGY -1.526579696421e+02
+FORCES -6.9520000000e-04  2.0303000000e-03  6.6287000000e-03 -4.0936000000e-03 -1.3740000000e-04 -3.0172000000e-03  3.3640000000e-03 -2.8735000000e-03 -1.9440000000e-03  3.7569000000e-03 -4.0220000000e-04  3.3253000000e-03 -1.4957000000e-03 -2.3496000000e-03  2.6910000000e-03 -8.3650000000e-04  3.7324000000e-03 -7.6838000000e-03
+
+JOB 42
+COORDS  1.4018450000e+00 -8.0644400000e-01 -5.4549500000e-01  6.4847100000e-01 -4.6011700000e-01 -6.7252000000e-02  1.4586350000e+00 -2.6193600000e-01 -1.3306820000e+00 -1.3763440000e+00  6.9511900000e-01  5.4038500000e-01 -1.1581020000e+00  1.4800550000e+00  3.7913000000e-02 -1.3930510000e+00  9.8996200000e-01  1.4508900000e+00
+ENERGY -1.526588612894e+02
+FORCES -5.8876000000e-03  3.4253000000e-03 -1.4110000000e-04  8.0587000000e-03 -2.2379000000e-03 -3.1025000000e-03 -4.7600000000e-05 -1.3945000000e-03  2.7766000000e-03 -2.9674000000e-03  6.1232000000e-03  3.0013000000e-03  4.4500000000e-04 -4.6295000000e-03  2.0673000000e-03  3.9890000000e-04 -1.2867000000e-03 -4.6016000000e-03
+
+JOB 43
+COORDS -9.6926200000e-01  3.9783000000e-01  1.2588300000e+00 -1.7123850000e+00  8.8167200000e-01  1.6192420000e+00 -3.4201100000e-01  1.0750740000e+00  1.0055920000e+00  1.0132300000e+00 -4.8327500000e-01 -1.2138440000e+00  1.2271230000e+00  8.9635000000e-02 -1.9502240000e+00  1.0812200000e-01 -7.5096800000e-01 -1.3730610000e+00
+ENERGY -1.526561773164e+02
+FORCES  1.6726000000e-03  4.6753000000e-03  9.0350000000e-04  3.1491000000e-03 -2.0153000000e-03 -2.0218000000e-03 -4.5665000000e-03 -1.4217000000e-03  2.0653000000e-03 -4.0778000000e-03 -7.8620000000e-04 -3.2365000000e-03 -1.0803000000e-03 -1.6401000000e-03  3.6549000000e-03  4.9030000000e-03  1.1880000000e-03 -1.3656000000e-03
+
+JOB 44
+COORDS  5.3671300000e-01 -4.9241700000e-01 -1.4537630000e+00  1.0623920000e+00 -1.0612910000e+00 -8.9137900000e-01  1.0968730000e+00 -3.1888300000e-01 -2.2102940000e+00 -6.1677300000e-01  4.6151600000e-01  1.4835530000e+00 -1.0385700000e+00  1.3032270000e+00  1.6562990000e+00  1.2540300000e-01  6.7647100000e-01  9.1857400000e-01
+ENERGY -1.526559020287e+02
+FORCES  3.6150000000e-03 -4.0215000000e-03 -2.4188000000e-03 -1.7629000000e-03  4.3304000000e-03 -2.0449000000e-03 -2.6225000000e-03 -5.5270000000e-04  3.5798000000e-03  7.1970000000e-04  4.1786000000e-03 -4.5648000000e-03  1.6373000000e-03 -3.0544000000e-03 -4.1360000000e-04 -1.5866000000e-03 -8.8040000000e-04  5.8624000000e-03
+
+JOB 45
+COORDS -3.8409900000e-01  1.4014730000e+00  6.9753500000e-01  2.0550800000e-01  1.6507280000e+00  1.4092000000e+00 -1.1014820000e+00  2.0331870000e+00  7.4784000000e-01  4.1683200000e-01 -1.4312080000e+00 -6.9440100000e-01  3.0208000000e-01 -2.3436290000e+00 -9.6001500000e-01  6.9650000000e-03 -9.2393000000e-01 -1.3950510000e+00
+ENERGY -1.526536670279e+02
+FORCES  6.5150000000e-04  2.6238000000e-03  4.4613000000e-03 -2.8417000000e-03 -1.9880000000e-04 -2.8144000000e-03  2.8656000000e-03 -3.0649000000e-03 -7.9810000000e-04 -3.0688000000e-03  6.3410000000e-04 -3.6179000000e-03  3.5700000000e-04  3.8309000000e-03  1.4984000000e-03  2.0365000000e-03 -3.8252000000e-03  1.2708000000e-03
+
+JOB 46
+COORDS -5.1199800000e-01  1.6772710000e+00  1.2358800000e-01 -8.6672300000e-01  9.7500700000e-01 -4.2159800000e-01 -2.6425700000e-01  1.2448160000e+00  9.4080200000e-01  5.1892200000e-01 -1.6743470000e+00 -1.2669000000e-01  9.5404500000e-01 -9.5049100000e-01  3.2379100000e-01  4.7247000000e-02 -1.2588950000e+00 -8.4860000000e-01
+ENERGY -1.526530820745e+02
+FORCES -2.6412000000e-03 -3.9885000000e-03  2.3169000000e-03  3.2342000000e-03  1.8910000000e-03  1.0689000000e-03  7.0390000000e-04  1.4431000000e-03 -4.3679000000e-03  1.9566000000e-03  4.2445000000e-03 -2.4263000000e-03 -3.4702000000e-03 -2.9808000000e-03 -5.8200000000e-04  2.1670000000e-04 -6.0930000000e-04  3.9903000000e-03
+
+JOB 47
+COORDS  1.5070730000e+00  5.4289900000e-01 -6.6982700000e-01  1.5922940000e+00  5.0819100000e-01  2.8293900000e-01  7.9114800000e-01  1.1591590000e+00 -8.2444500000e-01 -1.4295860000e+00 -5.9316000000e-01  6.7607100000e-01 -2.1265350000e+00 -1.1093370000e+00  2.7103300000e-01 -1.4138940000e+00  2.2296800000e-01  1.7615000000e-01
+ENERGY -1.526530025922e+02
+FORCES -2.7136000000e-03  5.9840000000e-04  4.5904000000e-03  4.8880000000e-04  1.4807000000e-03 -4.4731000000e-03  1.2545000000e-03 -2.5843000000e-03  6.2290000000e-04 -2.4546000000e-03 -1.2340000000e-04 -4.9465000000e-03  2.7221000000e-03  2.3569000000e-03  1.8114000000e-03  7.0280000000e-04 -1.7284000000e-03  2.3948000000e-03
+
+JOB 48
+COORDS  2.5335500000e-01  9.9154200000e-01  1.3812710000e+00  9.5730700000e-01  1.6232810000e+00  1.5282010000e+00  1.9907400000e-01  9.0985900000e-01  4.2910800000e-01 -2.3327700000e-01 -9.6775700000e-01 -1.3629080000e+00 -3.0440000000e-01 -1.5097220000e+00 -5.7713000000e-01 -9.9202800000e-01 -1.2124330000e+00 -1.8926840000e+00
+ENERGY -1.526591696733e+02
+FORCES  2.3877000000e-03  2.1735000000e-03 -4.6613000000e-03 -2.6801000000e-03 -2.2760000000e-03 -6.7050000000e-04  8.1610000000e-04  1.7318000000e-03  7.2688000000e-03 -3.9247000000e-03 -5.2943000000e-03  2.4300000000e-05  1.2220000000e-04  3.0272000000e-03 -4.2736000000e-03  3.2788000000e-03  6.3770000000e-04  2.3124000000e-03
+
+JOB 49
+COORDS -4.4286000000e-02 -1.5808900000e-01  1.7340480000e+00 -6.4068200000e-01 -9.0586300000e-01  1.6969140000e+00 -5.3678300000e-01  5.6151300000e-01  1.3392690000e+00  1.4379000000e-01  2.0701300000e-01 -1.6722970000e+00 -4.6469300000e-01 -4.4953300000e-01 -1.3332860000e+00  2.1774700000e-01  6.5700000000e-03 -2.6053480000e+00
+ENERGY -1.526536329993e+02
+FORCES -3.2435000000e-03  1.4468000000e-03 -1.6086000000e-03  2.4410000000e-03  2.9281000000e-03 -1.1167000000e-03  1.0159000000e-03 -4.1371000000e-03  2.4295000000e-03 -9.4000000000e-04 -4.2509000000e-03 -2.3100000000e-03  9.5140000000e-04  3.3643000000e-03 -1.5390000000e-03 -2.2490000000e-04  6.4880000000e-04  4.1447000000e-03
+
+JOB 50
+COORDS -1.3218840000e+00 -9.2006000000e-02  1.2291330000e+00 -1.1290400000e+00  6.6725100000e-01  6.7906800000e-01 -1.8560620000e+00 -6.6064700000e-01  6.7457600000e-01  1.3900320000e+00  5.4617000000e-02 -1.1800840000e+00  5.1323000000e-01 -2.5095500000e-01 -1.4126280000e+00  1.2534390000e+00  9.3823200000e-01 -8.3832800000e-01
+ENERGY -1.526519489994e+02
+FORCES -1.3882000000e-03  3.0670000000e-04 -3.5671000000e-03 -1.6820000000e-04 -3.0766000000e-03  1.2147000000e-03  2.7451000000e-03  2.7043000000e-03  1.7871000000e-03 -3.6549000000e-03  1.4621000000e-03  1.6947000000e-03  2.9278000000e-03  2.0216000000e-03  5.0010000000e-04 -4.6160000000e-04 -3.4181000000e-03 -1.6295000000e-03
+
+JOB 51
+COORDS -7.0385500000e-01 -1.5666520000e+00 -4.0010400000e-01  2.2303400000e-01 -1.7710060000e+00 -5.2398700000e-01 -1.1601880000e+00 -2.1377110000e+00 -1.0180720000e+00  6.1476200000e-01  1.6001290000e+00  4.0666000000e-01  9.6271400000e-01  1.1313750000e+00  1.1652310000e+00  1.2338770000e+00  2.3156760000e+00  2.6201700000e-01
+ENERGY -1.526529850560e+02
+FORCES  2.1190000000e-03 -1.9138000000e-03 -3.8467000000e-03 -3.6481000000e-03 -8.2900000000e-05  1.2456000000e-03  1.8211000000e-03  2.3634000000e-03  2.5301000000e-03  2.9863000000e-03  7.6410000000e-04  3.2306000000e-03 -5.5850000000e-04  2.0826000000e-03 -3.4057000000e-03 -2.7198000000e-03 -3.2134000000e-03  2.4590000000e-04
+
+JOB 52
+COORDS -9.8918000000e-01 -1.5180560000e+00  3.3261000000e-02 -2.8636900000e-01 -1.2538340000e+00 -5.6043600000e-01 -1.5194790000e+00 -2.1283240000e+00 -4.7917300000e-01  1.0035520000e+00  1.4996900000e+00  4.5200000000e-04  6.5298000000e-02  1.6559960000e+00  1.0759700000e-01  1.4203400000e+00  2.1266830000e+00  5.9155200000e-01
+ENERGY -1.526568130887e+02
+FORCES  2.0472000000e-03 -1.8276000000e-03 -4.3588000000e-03 -4.8586000000e-03 -2.0085000000e-03  1.9855000000e-03  2.1648000000e-03  2.5617000000e-03  2.0328000000e-03 -2.1639000000e-03  3.4808000000e-03  4.0971000000e-03  4.6225000000e-03 -6.1200000000e-05 -1.2899000000e-03 -1.8120000000e-03 -2.1453000000e-03 -2.4667000000e-03
+
+JOB 53
+COORDS  4.8083100000e-01 -3.6661900000e-01  1.7296650000e+00  1.0790490000e+00 -1.1131630000e+00  1.7619220000e+00  1.0001830000e+00  3.4073300000e-01  1.3473590000e+00 -6.0527800000e-01  3.4179100000e-01 -1.7198570000e+00 -4.2250000000e-02  8.0952300000e-01 -2.3366700000e+00 -8.6539000000e-02  2.8438700000e-01 -9.1745600000e-01
+ENERGY -1.526544370938e+02
+FORCES  5.1714000000e-03 -1.1810000000e-03  1.9017000000e-03 -2.6469000000e-03  3.7550000000e-03 -3.4530000000e-04 -3.5409000000e-03 -3.6319000000e-03 -1.0656000000e-03  3.2809000000e-03  7.4200000000e-04  1.7678000000e-03 -1.9660000000e-03 -1.9384000000e-03  3.0032000000e-03 -2.9850000000e-04  2.2543000000e-03 -5.2618000000e-03
+
+JOB 54
+COORDS  1.3250900000e-01  6.4177900000e-01  1.7061530000e+00  7.8180000000e-01  6.9517000000e-02  1.2972900000e+00  4.1531000000e-01  7.1266900000e-01  2.6178710000e+00 -1.6633400000e-01 -6.6996800000e-01 -1.7392270000e+00  1.6515300000e-01  7.1206000000e-02 -2.2461880000e+00 -8.6026600000e-01 -2.9745700000e-01 -1.1952370000e+00
+ENERGY -1.526573399985e+02
+FORCES  4.2294000000e-03 -2.3896000000e-03  2.4788000000e-03 -2.9712000000e-03  3.2653000000e-03  2.8316000000e-03 -8.5460000000e-04 -3.7050000000e-04 -3.7385000000e-03 -2.8393000000e-03  5.0276000000e-03 -2.8690000000e-04 -9.9310000000e-04 -3.2138000000e-03  2.0011000000e-03  3.4289000000e-03 -2.3189000000e-03 -3.2861000000e-03
+
+JOB 55
+COORDS -1.2268270000e+00  4.5719400000e-01 -1.3221070000e+00 -1.7028010000e+00  6.9275100000e-01 -5.2574500000e-01 -1.8849520000e+00  4.9793900000e-01 -2.0159680000e+00  1.2972980000e+00 -4.4437500000e-01  1.3628860000e+00  1.7191930000e+00 -1.2456970000e+00  1.0528540000e+00  6.4525400000e-01 -2.4149000000e-01  6.9213500000e-01
+ENERGY -1.526568250683e+02
+FORCES -6.0214000000e-03  1.8319000000e-03 -1.6459000000e-03  3.3230000000e-03 -1.7992000000e-03 -3.0262000000e-03  2.4233000000e-03  7.7800000000e-05  3.1007000000e-03 -8.5590000000e-04 -2.3344000000e-03 -5.6470000000e-03 -1.3089000000e-03  2.8881000000e-03  1.6879000000e-03  2.4399000000e-03 -6.6430000000e-04  5.5305000000e-03
+
+JOB 56
+COORDS -6.8691800000e-01  1.5074580000e+00 -1.0164710000e+00 -1.1615950000e+00  7.1830900000e-01 -7.5540300000e-01 -3.2457800000e-01  1.2959760000e+00 -1.8768300000e+00  6.6847000000e-01 -1.4148260000e+00  1.0883410000e+00  1.4974410000e+00 -1.8896770000e+00  1.1479600000e+00  2.6758100000e-01 -1.7324960000e+00  2.7926400000e-01
+ENERGY -1.526528006386e+02
+FORCES -1.0000000000e-06 -4.0021000000e-03 -1.1579000000e-03  1.5730000000e-03  2.6919000000e-03 -2.2486000000e-03 -1.5162000000e-03  5.4360000000e-04  3.4595000000e-03  2.8510000000e-03 -3.0282000000e-03 -2.7128000000e-03 -3.5579000000e-03  1.8602000000e-03 -2.6360000000e-04  6.5110000000e-04  1.9347000000e-03  2.9234000000e-03
+
+JOB 57
+COORDS  6.5409600000e-01  1.8186270000e+00  1.3372500000e-01  2.8400000000e-01  1.9979340000e+00 -7.3063000000e-01  1.5169080000e+00  1.4457730000e+00 -4.7292000000e-02 -7.0188400000e-01 -1.7782620000e+00 -1.1721300000e-01  1.3725000000e-01 -1.6150470000e+00  3.1342300000e-01 -1.0921270000e+00 -2.4958750000e+00  3.8175900000e-01
+ENERGY -1.526543462688e+02
+FORCES  8.3810000000e-04 -4.8660000000e-04 -5.1005000000e-03  2.1645000000e-03  1.9100000000e-05  3.6139000000e-03 -3.5087000000e-03  7.2890000000e-04  1.2827000000e-03  1.6001000000e-03 -1.2359000000e-03  4.7000000000e-03 -2.6787000000e-03 -1.8667000000e-03 -2.4186000000e-03  1.5847000000e-03  2.8413000000e-03 -2.0775000000e-03
+
+JOB 58
+COORDS -8.0145500000e-01  1.2415610000e+00 -1.2803660000e+00  8.7280000000e-02  1.4056040000e+00 -9.6497600000e-01 -1.0000820000e+00  1.9925650000e+00 -1.8396280000e+00  7.2739200000e-01 -1.3040850000e+00  1.3362940000e+00  1.6354700000e+00 -1.5765380000e+00  1.2044060000e+00  5.7867400000e-01 -6.3377200000e-01  6.6936500000e-01
+ENERGY -1.526536382293e+02
+FORCES  1.6602000000e-03  5.3708000000e-03 -2.1241000000e-03 -3.3964000000e-03 -2.8665000000e-03 -1.8960000000e-04  9.0720000000e-04 -3.2227000000e-03  2.3290000000e-03  1.9328000000e-03  9.9910000000e-04 -3.7080000000e-03 -3.6960000000e-03  1.4437000000e-03  5.2360000000e-04  2.5922000000e-03 -1.7244000000e-03  3.1693000000e-03
+
+JOB 59
+COORDS -1.6970640000e+00  2.3660900000e-01 -1.0622460000e+00 -1.4034050000e+00 -1.5593300000e-01 -1.8843810000e+00 -1.3437950000e+00 -3.3739800000e-01 -3.8257800000e-01  1.6021060000e+00 -2.0905600000e-01  1.0440180000e+00  2.1994610000e+00 -5.9897100000e-01  1.6822690000e+00  1.9718630000e+00  6.5578900000e-01  8.6638200000e-01
+ENERGY -1.526565100087e+02
+FORCES  3.7677000000e-03 -4.2996000000e-03  4.0690000000e-04 -1.4354000000e-03  1.6919000000e-03  2.7867000000e-03 -3.4204000000e-03  2.2174000000e-03 -3.6485000000e-03  4.5315000000e-03  2.6693000000e-03  2.1707000000e-03 -2.4249000000e-03  1.6727000000e-03 -2.7049000000e-03 -1.0185000000e-03 -3.9517000000e-03  9.8910000000e-04
+
+JOB 60
+COORDS  8.2660100000e-01  9.6422500000e-01 -1.5214830000e+00  1.5487380000e+00  9.1430400000e-01 -8.9517800000e-01  7.4441000000e-01  1.8971830000e+00 -1.7191320000e+00 -8.7476100000e-01 -1.0798660000e+00  1.5378180000e+00 -1.3704070000e+00 -2.6222400000e-01  1.5828650000e+00 -2.0294600000e-01 -9.1708900000e-01  8.7570000000e-01
+ENERGY -1.526555573446e+02
+FORCES  3.3791000000e-03  4.8357000000e-03 -9.0000000000e-05 -4.1706000000e-03 -5.5210000000e-04 -1.8379000000e-03  4.2970000000e-04 -4.0374000000e-03  9.8550000000e-04  1.8400000000e-04  4.2244000000e-03 -4.1774000000e-03  1.8303000000e-03 -3.2108000000e-03  7.1970000000e-04 -1.6524000000e-03 -1.2598000000e-03  4.4001000000e-03
+
+JOB 61
+COORDS -3.3005100000e-01 -1.7907750000e+00  7.2409400000e-01 -8.5123300000e-01 -2.3088520000e+00  1.1074500000e-01 -5.7243600000e-01 -2.1256360000e+00  1.5874300000e+00  3.9793900000e-01  1.8689710000e+00 -7.8910400000e-01 -3.8879200000e-01  2.1118700000e+00 -3.0096000000e-01  7.3768100000e-01  1.1008750000e+00 -3.2993600000e-01
+ENERGY -1.526567678945e+02
+FORCES -3.3881000000e-03 -4.7177000000e-03  8.9410000000e-04  2.0949000000e-03  2.0478000000e-03  2.9510000000e-03  8.7110000000e-04  1.5026000000e-03 -3.6753000000e-03 -1.9698000000e-03 -3.6830000000e-03  4.4004000000e-03  2.8424000000e-03 -1.2270000000e-04 -2.0703000000e-03 -4.5050000000e-04  4.9730000000e-03 -2.4998000000e-03
+
+JOB 62
+COORDS -9.4589500000e-01 -4.3457900000e-01  1.8540770000e+00 -1.2347110000e+00 -1.0960700000e-01  2.7068440000e+00 -1.7206560000e+00 -8.5708400000e-01  1.4833120000e+00  1.0602030000e+00  4.3371400000e-01 -1.8672150000e+00  4.1584900000e-01  9.4183600000e-01 -1.3744150000e+00  5.5532100000e-01  2.0906000000e-02 -2.5678690000e+00
+ENERGY -1.526542829616e+02
+FORCES -4.1114000000e-03 -1.1092000000e-03  2.7527000000e-03  1.1496000000e-03 -1.3064000000e-03 -3.6883000000e-03  3.1548000000e-03  2.1589000000e-03  1.1902000000e-03 -4.7371000000e-03  2.0530000000e-04  4.7130000000e-04  2.6189000000e-03 -1.5381000000e-03 -3.3866000000e-03  1.9252000000e-03  1.5895000000e-03  2.6606000000e-03
+
+JOB 63
+COORDS  8.0728300000e-01  1.3699280000e+00 -1.4779760000e+00  4.1138500000e-01  1.1340670000e+00 -2.3169440000e+00  1.5287700000e+00  7.5015800000e-01 -1.3703920000e+00 -7.7384700000e-01 -1.2910230000e+00  1.5566110000e+00 -1.6386950000e+00 -1.5735330000e+00  1.8540290000e+00 -7.5449100000e-01 -1.5163380000e+00  6.2650900000e-01
+ENERGY -1.526536325385e+02
+FORCES  1.9485000000e-03 -2.7884000000e-03 -2.6343000000e-03  1.3629000000e-03  6.0120000000e-04  3.6966000000e-03 -3.3187000000e-03  2.2851000000e-03 -8.3050000000e-04 -3.6969000000e-03 -1.1312000000e-03 -2.8395000000e-03  3.5270000000e-03  1.0244000000e-03 -1.1897000000e-03  1.7720000000e-04  8.9000000000e-06  3.7975000000e-03
+
+JOB 64
+COORDS -2.1372400000e+00 -4.7106300000e-01  2.2951000000e-02 -2.1887500000e+00  3.9007700000e-01  4.3770100000e-01 -1.9144410000e+00 -1.0683790000e+00  7.3695800000e-01  2.1484530000e+00  3.9841400000e-01 -7.5583000000e-02  1.2624880000e+00  6.7987400000e-01 -3.0378700000e-01  2.6330780000e+00  1.2134940000e+00  5.4861000000e-02
+ENERGY -1.526549619291e+02
+FORCES -3.7750000000e-04 -1.8300000000e-05  5.1115000000e-03  1.0483000000e-03 -3.2808000000e-03 -2.1700000000e-03 -1.1326000000e-03  2.8429000000e-03 -3.0833000000e-03 -1.8570000000e-03  4.0890000000e-03 -1.2384000000e-03  4.4376000000e-03 -3.6910000000e-04  1.7587000000e-03 -2.1188000000e-03 -3.2637000000e-03 -3.7840000000e-04
+
+JOB 65
+COORDS  1.6771290000e+00 -1.6424380000e+00  4.5494100000e-01  7.2091200000e-01 -1.6029040000e+00  4.7275500000e-01  1.9350390000e+00 -9.4389400000e-01 -1.4651600000e-01 -1.6058830000e+00  1.6553050000e+00 -3.9267800000e-01 -1.8697210000e+00  8.0873900000e-01 -3.2196000000e-02 -1.8961890000e+00  1.6288990000e+00 -1.3044110000e+00
+ENERGY -1.526540550257e+02
+FORCES -2.5689000000e-03  3.7571000000e-03 -2.2733000000e-03  3.3305000000e-03 -5.1800000000e-04 -9.4100000000e-05 -8.9910000000e-04 -3.4292000000e-03  2.3183000000e-03 -3.3694000000e-03 -2.6878000000e-03 -2.2270000000e-03  1.9934000000e-03  2.9842000000e-03 -1.6425000000e-03  1.5136000000e-03 -1.0630000000e-04  3.9186000000e-03
+
+JOB 66
+COORDS  1.7551530000e+00  9.6212000000e-01  1.3018140000e+00  1.2192000000e+00  1.6907500000e-01  1.3100240000e+00  2.4426690000e+00  7.9381900000e-01  1.9461960000e+00 -1.8264180000e+00 -9.0709400000e-01 -1.3109570000e+00 -1.5308570000e+00 -1.3491550000e+00 -2.1068580000e+00 -1.0273100000e+00 -5.4879600000e-01 -9.2458900000e-01
+ENERGY -1.526539670560e+02
+FORCES  1.1131000000e-03 -3.6516000000e-03  3.7126000000e-03  1.7847000000e-03  3.2512000000e-03 -1.2959000000e-03 -2.8611000000e-03  7.1470000000e-04 -2.7499000000e-03  4.3823000000e-03  2.7070000000e-04 -2.3782000000e-03 -1.2733000000e-03  1.6616000000e-03  3.4000000000e-03 -3.1458000000e-03 -2.2465000000e-03 -6.8850000000e-04
+
+JOB 67
+COORDS -1.5600660000e+00  1.6938320000e+00  8.9684600000e-01 -1.6215760000e+00  1.2739410000e+00  3.8860000000e-02 -2.1072000000e+00  2.4755970000e+00  8.2121900000e-01  1.5712620000e+00 -1.7025490000e+00 -8.9693900000e-01  1.8929740000e+00 -2.5750020000e+00 -6.6987300000e-01  1.7500790000e+00 -1.1713630000e+00 -1.2099000000e-01
+ENERGY -1.526551370315e+02
+FORCES -2.6578000000e-03  1.3762000000e-03 -4.0666000000e-03  1.9020000000e-04  2.0621000000e-03  3.8335000000e-03  2.1766000000e-03 -3.1442000000e-03  3.2470000000e-04  2.1945000000e-03 -1.3977000000e-03  4.4055000000e-03 -1.2456000000e-03  3.5019000000e-03 -9.7170000000e-04 -6.5780000000e-04 -2.3982000000e-03 -3.5254000000e-03
+
+JOB 68
+COORDS  1.3470360000e+00  1.7693020000e+00  9.7085000000e-01  2.2814140000e+00  1.7575410000e+00  1.1782900000e+00  1.1891000000e+00  2.6476190000e+00  6.2466100000e-01 -1.4098730000e+00 -1.8696930000e+00 -9.0920200000e-01 -1.9222210000e+00 -1.7290630000e+00 -1.7054150000e+00 -6.6766400000e-01 -1.2710180000e+00 -9.9254900000e-01
+ENERGY -1.526547563972e+02
+FORCES  3.3166000000e-03  3.8984000000e-03  1.9460000000e-04 -3.8950000000e-03  7.0400000000e-05 -1.0432000000e-03  6.6280000000e-04 -3.7684000000e-03  1.1890000000e-03  1.3327000000e-03  3.5553000000e-03 -2.9425000000e-03  1.9736000000e-03 -6.0290000000e-04  3.0887000000e-03 -3.3908000000e-03 -3.1529000000e-03 -4.8660000000e-04
+
+JOB 69
+COORDS  1.5721500000e+00 -1.9771040000e+00 -2.8460700000e-01  6.5567900000e-01 -2.1671820000e+00 -8.4146000000e-02  1.5780520000e+00 -1.7862160000e+00 -1.2225610000e+00 -1.4892280000e+00  2.0329680000e+00  3.2294600000e-01 -2.3521740000e+00  1.7592430000e+00  1.2094000000e-02 -1.1278590000e+00  1.2535690000e+00  7.4506100000e-01
+ENERGY -1.526539239820e+02
+FORCES -3.1767000000e-03 -2.8880000000e-04 -3.5231000000e-03  3.4748000000e-03  1.3057000000e-03 -4.9330000000e-04 -1.6380000000e-04 -9.4330000000e-04  4.0277000000e-03 -1.7918000000e-03 -3.9520000000e-03  8.6590000000e-04  3.6567000000e-03  8.9690000000e-04  1.1479000000e-03 -1.9992000000e-03  2.9815000000e-03 -2.0251000000e-03
+
+JOB 70
+COORDS  1.0607600000e-01  2.4432130000e+00 -6.8882500000e-01  4.8658900000e-01  2.0833360000e+00 -1.4900310000e+00 -3.1690000000e-01  3.2553180000e+00 -9.6776700000e-01 -1.2041700000e-01 -2.4353310000e+00  8.0209300000e-01 -6.0411000000e-01 -2.5750940000e+00 -1.1995000000e-02  6.8231800000e-01 -2.9455880000e+00  6.9492200000e-01
+ENERGY -1.526533669015e+02
+FORCES -1.2900000000e-04  1.6917000000e-03 -4.1842000000e-03 -1.5804000000e-03  1.4853000000e-03  3.1084000000e-03  1.7211000000e-03 -3.3575000000e-03  1.1445000000e-03  1.2238000000e-03 -2.2207000000e-03 -3.6638000000e-03  2.0342000000e-03  3.6110000000e-04  3.2160000000e-03 -3.2696000000e-03  2.0401000000e-03  3.7920000000e-04
+
+JOB 71
+COORDS  1.4193100000e-01  1.4392460000e+00  2.1189710000e+00  9.5964700000e-01  1.8190570000e+00  2.4403990000e+00 -2.5238200000e-01  1.0310550000e+00  2.8897700000e+00 -2.0982700000e-01 -1.4471900000e+00 -2.1944850000e+00 -3.3255000000e-02 -7.2494200000e-01 -1.5916480000e+00  6.0045000000e-01 -1.9567200000e+00 -2.2024140000e+00
+ENERGY -1.526550962196e+02
+FORCES  1.3936000000e-03  2.2550000000e-04  5.0123000000e-03 -3.2989000000e-03 -1.7180000000e-03 -1.4562000000e-03  1.8031000000e-03  1.6940000000e-03 -3.1921000000e-03  3.8503000000e-03  1.3430000000e-03  2.9026000000e-03 -5.7430000000e-04 -3.4270000000e-03 -3.1847000000e-03 -3.1737000000e-03  1.8824000000e-03 -8.2000000000e-05
+
+JOB 72
+COORDS -1.3110990000e+00  1.9517560000e+00  1.4668960000e+00 -2.1100720000e+00  1.4699180000e+00  1.2531040000e+00 -7.0262300000e-01  1.7326560000e+00  7.6121600000e-01  1.3422410000e+00 -1.8493870000e+00 -1.3892900000e+00  1.9048140000e+00 -2.4715380000e+00 -1.8504530000e+00  4.8000000000e-01 -2.2649880000e+00 -1.3823330000e+00
+ENERGY -1.526545206111e+02
+FORCES -2.6020000000e-04 -2.9558000000e-03 -3.8596000000e-03  3.0638000000e-03  1.8781000000e-03  8.8130000000e-04 -2.9832000000e-03  1.1646000000e-03  3.0123000000e-03 -7.2910000000e-04 -4.6613000000e-03 -1.9110000000e-03 -2.4155000000e-03  2.5145000000e-03  1.8629000000e-03  3.3242000000e-03  2.0598000000e-03  1.4100000000e-05
+
+JOB 73
+COORDS  1.2681750000e+00  2.5244140000e+00 -3.0142100000e-01  1.6663540000e+00  2.7569440000e+00 -1.1402390000e+00  1.8595780000e+00  1.8709500000e+00  7.2021000000e-02 -1.3350360000e+00 -2.5510860000e+00  2.8606300000e-01 -8.0807900000e-01 -2.5992230000e+00  1.0837040000e+00 -1.5885250000e+00 -1.6303500000e+00  2.2110000000e-01
+ENERGY -1.526545192648e+02
+FORCES  4.3311000000e-03 -1.4234000000e-03 -2.1852000000e-03 -1.6281000000e-03 -9.4660000000e-04  3.5135000000e-03 -2.6693000000e-03  2.5254000000e-03 -1.3556000000e-03  8.3260000000e-04  3.7990000000e-03  2.9701000000e-03 -1.9451000000e-03  1.2840000000e-04 -3.2604000000e-03  1.0788000000e-03 -4.0828000000e-03  3.1770000000e-04
+
+JOB 74
+COORDS  1.7532100000e-01 -2.7720530000e+00 -8.4749200000e-01  4.1027500000e-01 -2.4880120000e+00  3.5882000000e-02  3.8689800000e-01 -3.7054370000e+00 -8.6368800000e-01 -1.6451600000e-01  2.7446940000e+00  8.2318100000e-01 -1.0716160000e+00  2.8261380000e+00  5.2861600000e-01  1.5724800000e-01  3.6453910000e+00  8.6120100000e-01
+ENERGY -1.526543118456e+02
+FORCES  1.9728000000e-03 -2.2196000000e-03  3.7005000000e-03 -1.0411000000e-03 -1.6278000000e-03 -3.6525000000e-03 -8.8380000000e-04  3.7353000000e-03  2.0000000000e-05 -2.4418000000e-03  3.9701000000e-03 -1.3890000000e-03  3.7021000000e-03 -2.1120000000e-04  1.3996000000e-03 -1.3083000000e-03 -3.6468000000e-03 -7.8500000000e-05
+
+JOB 75
+COORDS -2.2157700000e-01  2.1159700000e+00 -2.0954040000e+00 -1.7519800000e-01  1.9391430000e+00 -1.1558230000e+00 -2.2791800000e-01  3.0709770000e+00 -2.1598490000e+00  1.9068300000e-01 -2.1786280000e+00  2.0957580000e+00  4.8862200000e-01 -1.2997580000e+00  1.8611270000e+00  4.4912300000e-01 -2.7256440000e+00  1.3539950000e+00
+ENERGY -1.526539119241e+02
+FORCES -1.2650000000e-04  3.5313000000e-03  3.3851000000e-03  1.1250000000e-04  3.5800000000e-04 -3.6886000000e-03  7.7900000000e-05 -3.9798000000e-03  2.9860000000e-04  2.3361000000e-03  1.0129000000e-03 -4.1008000000e-03 -1.3522000000e-03 -3.2334000000e-03  9.4410000000e-04 -1.0477000000e-03  2.3109000000e-03  3.1616000000e-03
+
+JOB 76
+COORDS -1.7007210000e+00 -2.7076140000e+00  2.6850500000e-01 -2.2131600000e+00 -2.7978300000e+00 -5.3492400000e-01 -9.5422800000e-01 -2.1637030000e+00  1.7225000000e-02  1.7380450000e+00  2.6341830000e+00 -2.1762300000e-01  1.2377770000e+00  2.8574940000e+00  5.6729500000e-01  1.4131810000e+00  3.2349640000e+00 -8.8826200000e-01
+ENERGY -1.526544801552e+02
+FORCES  1.2242000000e-03  1.8439000000e-03 -4.3468000000e-03  1.9783000000e-03  3.7410000000e-04  3.2687000000e-03 -3.3043000000e-03 -2.3175000000e-03  1.0801000000e-03 -3.1650000000e-03  3.7135000000e-03  6.3410000000e-04  2.0030000000e-03 -1.0297000000e-03 -3.3334000000e-03  1.2638000000e-03 -2.5844000000e-03  2.6973000000e-03
+
+JOB 77
+COORDS  2.9772550000e+00 -1.1869800000e-01 -1.5548460000e+00  2.8245860000e+00  5.4866300000e-01 -2.2238390000e+00  2.5442930000e+00  2.2249200000e-01 -7.7230800000e-01 -2.9466080000e+00  7.6662000000e-02  1.4902480000e+00 -2.2429170000e+00 -2.4696700000e-01  2.0526670000e+00 -3.6719650000e+00  2.5136200000e-01  2.0898890000e+00
+ENERGY -1.526541850605e+02
+FORCES -2.6609000000e-03  4.1422000000e-03  3.1980000000e-04  7.7340000000e-04 -2.6998000000e-03  2.7193000000e-03  1.9238000000e-03 -1.4447000000e-03 -3.0140000000e-03 -3.2590000000e-04 -8.1680000000e-04  4.7879000000e-03 -2.7169000000e-03  1.4978000000e-03 -2.3631000000e-03  3.0066000000e-03 -6.7860000000e-04 -2.4499000000e-03
+
+JOB 78
+COORDS -5.6446500000e-01  1.4334730000e+00  3.0565400000e+00  3.5116200000e-01  1.5785370000e+00  3.2949000000e+00 -9.8497400000e-01  2.2827370000e+00  3.1912820000e+00  5.5364700000e-01 -1.4982800000e+00 -3.1349560000e+00  7.6035400000e-01 -2.0624280000e+00 -2.3898110000e+00  7.0240000000e-03 -8.0438200000e-01 -2.7662550000e+00
+ENERGY -1.526544898298e+02
+FORCES  1.9739000000e-03  4.1749000000e-03  1.8006000000e-03 -3.7456000000e-03 -6.5080000000e-04 -1.0856000000e-03  1.7390000000e-03 -3.4934000000e-03 -6.1990000000e-04 -1.5262000000e-03  5.4960000000e-04  4.7492000000e-03 -7.1610000000e-04  2.2091000000e-03 -3.1385000000e-03  2.2750000000e-03 -2.7894000000e-03 -1.7058000000e-03
+
+JOB 79
+COORDS -1.1367000000e+00 -3.2669020000e+00  1.2791900000e+00 -2.0165500000e-01 -3.0905530000e+00  1.3832290000e+00 -1.4716760000e+00 -2.5098830000e+00  7.9862300000e-01  1.0522310000e+00  3.1990280000e+00 -1.2281890000e+00  1.1945610000e+00  3.9289920000e+00 -1.8307890000e+00  1.8997910000e+00  2.7565160000e+00 -1.1828340000e+00
+ENERGY -1.526542980163e+02
+FORCES  2.3557000000e-03  4.0073000000e-03 -1.5388000000e-03 -3.7119000000e-03 -8.1720000000e-04 -4.1760000000e-04  1.3771000000e-03 -3.2510000000e-03  1.9641000000e-03  4.0673000000e-03  1.4574000000e-03 -2.3520000000e-03 -5.5610000000e-04 -3.0276000000e-03  2.4707000000e-03 -3.5320000000e-03  1.6312000000e-03 -1.2640000000e-04
+
+JOB 80
+COORDS  1.8059650000e+00 -9.9256800000e-01  3.0648760000e+00  1.0627960000e+00 -1.2749140000e+00  3.5979920000e+00  2.4914790000e+00 -1.6345870000e+00  3.2495750000e+00 -1.8084570000e+00  9.8494200000e-01 -3.1386960000e+00 -2.4593800000e+00  1.5168470000e+00 -2.6808670000e+00 -9.9875300000e-01  1.4918410000e+00 -3.0781550000e+00
+ENERGY -1.526541650839e+02
+FORCES -2.7610000000e-04 -3.8997000000e-03  2.8452000000e-03  3.0419000000e-03  1.2122000000e-03 -2.1189000000e-03 -2.7709000000e-03  2.6515000000e-03 -7.1690000000e-04  8.3660000000e-04  4.1827000000e-03  2.3281000000e-03  2.5468000000e-03 -2.1518000000e-03 -1.9277000000e-03 -3.3784000000e-03 -1.9950000000e-03 -4.0970000000e-04
+
+JOB 81
+COORDS  1.7974300000e-01 -3.8180890000e+00  9.7072600000e-01  1.0487830000e+00 -3.8874730000e+00  5.7552000000e-01 -3.0879400000e-01 -4.5567000000e+00  6.0738400000e-01 -2.3066800000e-01  3.8688450000e+00 -9.8624600000e-01  4.8233500000e-01  4.3931080000e+00 -6.2154500000e-01 -4.5447900000e-01  3.2509360000e+00 -2.9030800000e-01
+ENERGY -1.526542636498e+02
+FORCES  1.5186000000e-03 -3.3746000000e-03 -3.1693000000e-03 -3.5290000000e-03  3.2100000000e-04  1.6585000000e-03  2.0069000000e-03  3.0094000000e-03  1.5080000000e-03  1.9364000000e-03 -5.1270000000e-04  4.3971000000e-03 -2.8699000000e-03 -2.0922000000e-03 -1.5187000000e-03  9.3710000000e-04  2.6491000000e-03 -2.8756000000e-03
+
+JOB 82
+COORDS -5.6483600000e-01 -3.3616850000e+00  2.7485210000e+00 -2.5502700000e-01 -2.9010200000e+00  1.9687530000e+00 -1.4967160000e+00 -3.1488000000e+00  2.7986380000e+00  6.1132900000e-01  3.2627430000e+00 -2.6969550000e+00  1.3149600000e-01  3.6708420000e+00 -3.4176820000e+00  8.2335100000e-01  3.9876490000e+00 -2.1089170000e+00
+ENERGY -1.526542678399e+02
+FORCES -2.4838000000e-03  2.8141000000e-03 -3.0867000000e-03 -1.2878000000e-03 -1.9449000000e-03  3.2577000000e-03  3.7559000000e-03 -8.9600000000e-04 -1.4420000000e-04 -1.0047000000e-03  4.7115000000e-03 -6.1850000000e-04  1.9273000000e-03 -1.6893000000e-03  2.9677000000e-03 -9.0690000000e-04 -2.9953000000e-03 -2.3759000000e-03
+
+JOB 83
+COORDS  2.1267760000e+00  1.8579310000e+00 -3.2995460000e+00  1.2035490000e+00  2.0865260000e+00 -3.4073790000e+00  2.4892500000e+00  1.8995120000e+00 -4.1844840000e+00 -2.0281900000e+00 -1.8924620000e+00  3.3826090000e+00 -2.5731440000e+00 -1.1706450000e+00  3.6960360000e+00 -2.5144970000e+00 -2.2566910000e+00  2.6429650000e+00
+ENERGY -1.526539344602e+02
+FORCES -2.2460000000e-03  1.0831000000e-03 -4.0132000000e-03  3.7348000000e-03 -9.2990000000e-04  4.2760000000e-04 -1.4962000000e-03 -1.6580000000e-04  3.6085000000e-03 -4.1072000000e-03  1.4892000000e-03 -1.7799000000e-03  2.1847000000e-03 -2.9560000000e-03 -1.2736000000e-03  1.9300000000e-03  1.4794000000e-03  3.0307000000e-03
+
+JOB 84
+COORDS -3.5771930000e+00 -2.3039930000e+00  2.0837920000e+00 -3.6821470000e+00 -3.1102590000e+00  2.5889170000e+00 -4.2896670000e+00 -2.3265620000e+00  1.4449620000e+00  3.6566530000e+00  2.3937350000e+00 -2.0595140000e+00  3.1903510000e+00  2.2436800000e+00 -2.8818750000e+00  3.4390670000e+00  1.6347920000e+00 -1.5183180000e+00
+ENERGY -1.526541641320e+02
+FORCES -3.4109000000e-03 -3.3717000000e-03 -4.5870000000e-04  4.5050000000e-04  3.2848000000e-03 -2.0919000000e-03  2.9477000000e-03  8.9000000000e-05  2.5675000000e-03 -2.8803000000e-03 -3.7258000000e-03 -1.0506000000e-03  1.9320000000e-03  6.2600000000e-04  3.2976000000e-03  9.6090000000e-04  3.0977000000e-03 -2.2638000000e-03
+
+JOB 85
+COORDS  3.7309930000e+00 -2.7456950000e+00 -2.4875880000e+00  2.7778470000e+00 -2.6831800000e+00 -2.4256390000e+00  3.9062890000e+00 -3.6845540000e+00 -2.5512050000e+00 -3.7122170000e+00  2.7843560000e+00  2.5496320000e+00 -2.8066830000e+00  2.6783530000e+00  2.2580780000e+00 -4.1660600000e+00  3.1555250000e+00  1.7929990000e+00
+ENERGY -1.526540912132e+02
+FORCES -3.1336000000e-03 -3.6430000000e-03 -9.6000000000e-06  3.8679000000e-03 -1.9690000000e-04 -2.4600000000e-04 -7.2680000000e-04  3.8458000000e-03  2.5470000000e-04  1.8667000000e-03  1.1489000000e-03 -4.2469000000e-03 -3.7179000000e-03  3.9010000000e-04  1.1714000000e-03  1.8437000000e-03 -1.5451000000e-03  3.0764000000e-03
+
+JOB 86
+COORDS -3.3091190000e+00 -2.0466040000e+00  4.2017080000e+00 -2.9998090000e+00 -1.3620470000e+00  4.7949540000e+00 -2.8688450000e+00 -2.8416080000e+00  4.5023070000e+00  3.2273910000e+00  2.0467260000e+00 -4.2070880000e+00  4.1566200000e+00  2.2703100000e+00 -4.1544060000e+00  3.0659880000e+00  1.9100670000e+00 -5.1406320000e+00
+ENERGY -1.526540314715e+02
+FORCES  3.1155000000e-03 -4.1030000000e-04  3.5835000000e-03 -1.2881000000e-03 -2.8096000000e-03 -2.3821000000e-03 -1.8184000000e-03  3.2237000000e-03 -1.2014000000e-03  3.0921000000e-03  3.4230000000e-04 -3.6040000000e-03 -3.7812000000e-03 -9.1050000000e-04 -2.0330000000e-04  6.8010000000e-04  5.6450000000e-04  3.8073000000e-03
+
+JOB 87
+COORDS  5.6191940000e+00  2.9549330000e+00  8.5453300000e-01  5.4495170000e+00  3.4794900000e+00  1.6370170000e+00  5.3727820000e+00  3.5244590000e+00  1.2573100000e-01 -5.6379350000e+00 -3.0617180000e+00 -8.7077400000e-01 -5.1357070000e+00 -2.8832020000e+00 -7.5707000000e-02 -5.4413550000e+00 -2.3249120000e+00 -1.4493110000e+00
+ENERGY -1.526540763933e+02
+FORCES -1.6332000000e-03  4.4826000000e-03  2.2180000000e-04  6.6300000000e-04 -2.1506000000e-03 -3.1976000000e-03  9.7310000000e-04 -2.3361000000e-03  2.9756000000e-03  2.8846000000e-03  3.7110000000e-03  8.8240000000e-04 -2.0692000000e-03 -7.1480000000e-04 -3.2408000000e-03 -8.1830000000e-04 -2.9921000000e-03  2.3587000000e-03
+
+JOB 88
+COORDS -6.1943620000e+00  7.3247800000e-01  2.3265480000e+00 -6.1546240000e+00 -1.6626800000e-01  1.9995790000e+00 -7.0470340000e+00  1.0560980000e+00  2.0359400000e+00  6.2483370000e+00 -7.0229200000e-01 -2.3640750000e+00  5.4831860000e+00 -9.5296000000e-01 -1.8464450000e+00  6.8513940000e+00 -3.1565700000e-01 -1.7291980000e+00
+ENERGY -1.526541078184e+02
+FORCES -3.3445000000e-03 -2.3358000000e-03 -2.5260000000e-03 -1.4200000000e-04  3.6622000000e-03  1.3387000000e-03  3.4832000000e-03 -1.3240000000e-03  1.1885000000e-03 -6.7540000000e-04  5.7950000000e-04  4.7157000000e-03  3.1266000000e-03  1.0036000000e-03 -2.1218000000e-03 -2.4479000000e-03 -1.5855000000e-03 -2.5951000000e-03
+
+JOB 89
+COORDS  1.6471540000e+00 -5.2710730000e+00  3.9980140000e+00  1.7615690000e+00 -5.6704480000e+00  3.1356680000e+00  1.4473770000e+00 -6.0057610000e+00  4.5781460000e+00 -1.6965930000e+00  5.3035990000e+00 -4.0266440000e+00 -1.6593630000e+00  5.8627470000e+00 -3.2506300000e+00 -8.1528800000e-01  4.9375760000e+00 -4.1012130000e+00
+ENERGY -1.526541035750e+02
+FORCES -3.6630000000e-04 -4.6406000000e-03 -1.1480000000e-03 -4.5590000000e-04  1.6384000000e-03  3.5154000000e-03  8.2150000000e-04  2.9994000000e-03 -2.3656000000e-03  3.7486000000e-03  7.7230000000e-04  2.8937000000e-03 -1.5460000000e-04 -2.2672000000e-03 -3.1789000000e-03 -3.5933000000e-03  1.4977000000e-03  2.8340000000e-04
+
+JOB 0
+COORDS -1.1519120000e+00 -4.4100400000e-01  3.5095000000e-02 -1.2695730000e+00 -5.8817500000e-01 -9.0337600000e-01 -1.2190600000e+00 -1.3126200000e+00  4.2497800000e-01  1.2143060000e+00  4.7918500000e-01  3.0141000000e-02  1.1511070000e+00  1.2935240000e+00 -4.6894800000e-01  3.5989600000e-01  6.2354000000e-02 -8.1519000000e-02
+ENERGY -1.526539472871e+02
+FORCES  1.2778000000e-02  2.3169000000e-03  1.2155000000e-03  5.4998000000e-03  2.3390000000e-03  6.1558000000e-03  1.0878000000e-03  5.1536000000e-03 -3.5350000000e-03 -2.4682600000e-02 -7.2987000000e-03  1.8534000000e-03 -1.9861000000e-03 -3.2232000000e-03  3.0570000000e-04  7.3031000000e-03  7.1240000000e-04 -5.9954000000e-03
+
+JOB 1
+COORDS -8.9423900000e-01  8.4845600000e-01  1.1513000000e-02 -1.7990660000e+00  1.0583820000e+00  2.4270700000e-01 -6.6585400000e-01  1.4848100000e+00 -6.6607500000e-01  9.6471100000e-01 -9.3008400000e-01  7.5162000000e-02  1.0779410000e+00 -1.2765100000e+00 -8.0993600000e-01  4.0740200000e-01 -1.6012100000e-01 -3.7960000000e-02
+ENERGY -1.526542510253e+02
+FORCES  5.3554000000e-03 -1.0158100000e-02  2.5325000000e-03  4.3416000000e-03  1.3113000000e-03 -2.9681000000e-03  3.4580000000e-04 -6.0182000000e-03  3.4298000000e-03 -1.5120400000e-02  1.0498900000e-02 -3.9960000000e-04 -1.4187000000e-03  2.7467000000e-03  1.9475000000e-03  6.4962000000e-03  1.6193000000e-03 -4.5421000000e-03
+
+JOB 2
+COORDS  1.0836900000e-01  1.2629130000e+00 -4.0166800000e-01 -8.0289100000e-01  1.5159560000e+00 -5.4933800000e-01  2.2072300000e-01  4.6143500000e-01 -9.1278600000e-01 -2.8470000000e-03 -1.2425640000e+00  4.1734400000e-01 -5.1998600000e-01 -1.8329900000e+00  9.6524600000e-01 -6.0766900000e-01 -5.3722700000e-01  1.8729700000e-01
+ENERGY -1.526487851305e+02
+FORCES  1.8892000000e-03 -6.8294000000e-03 -1.0780000000e-03  3.6404000000e-03 -5.6191000000e-03  3.5143000000e-03 -7.2278000000e-03  4.8630000000e-04  6.9243000000e-03 -9.3930000000e-04  9.7401000000e-03  1.0766000000e-03  1.0747000000e-03  4.8937000000e-03 -1.7299000000e-03  1.5629000000e-03 -2.6716000000e-03 -8.7072000000e-03
+
+JOB 3
+COORDS -1.1077080000e+00  8.7822000000e-02  6.9192200000e-01 -9.0827300000e-01  3.6367400000e-01  1.5865520000e+00 -1.4939450000e+00 -7.8252800000e-01  7.8961600000e-01  1.1691280000e+00 -2.1706000000e-02 -7.5336600000e-01  2.8706900000e-01  3.0911700000e-01 -5.8377700000e-01  1.0449280000e+00 -9.5274700000e-01 -9.3767700000e-01
+ENERGY -1.526569325112e+02
+FORCES  8.0551000000e-03 -3.0505000000e-03  9.1250000000e-04 -2.1421000000e-03 -1.8680000000e-03 -3.8143000000e-03  2.4136000000e-03  3.6721000000e-03 -3.4150000000e-04 -1.4485900000e-02 -2.2144000000e-03  7.8708000000e-03  5.5014000000e-03  1.5705000000e-03 -5.0670000000e-03  6.5780000000e-04  1.8903000000e-03  4.3950000000e-04
+
+JOB 4
+COORDS -1.2897900000e-01 -1.2432440000e+00 -5.4772400000e-01 -9.7911600000e-01 -1.1925770000e+00 -1.1076800000e-01 -2.9925900000e-01 -9.4086100000e-01 -1.4398010000e+00  2.3134900000e-01  1.2630980000e+00  5.4385500000e-01  3.2230000000e-02  3.5620100000e-01  3.1121700000e-01 -2.0308900000e-01  1.3956460000e+00  1.3864260000e+00
+ENERGY -1.526565920129e+02
+FORCES -2.7772000000e-03  2.7757000000e-03 -4.0060000000e-03  7.6210000000e-03  5.5217000000e-03  4.4510000000e-04  6.6730000000e-04 -1.2819000000e-03  5.8952000000e-03  5.9220000000e-04 -1.2367400000e-02 -3.1356000000e-03 -6.4046000000e-03  8.2903000000e-03  4.3947000000e-03  3.0130000000e-04 -2.9384000000e-03 -3.5934000000e-03
+
+JOB 5
+COORDS -7.5716200000e-01  6.3081000000e-02 -1.1886410000e+00 -2.6235700000e-01  3.0087800000e-01 -4.0451600000e-01 -1.3127800000e-01 -4.1686900000e-01 -1.7309970000e+00  6.5981300000e-01 -9.3564000000e-02  1.1511200000e+00  4.2028800000e-01  6.5446100000e-01  1.6982210000e+00  1.6133560000e+00 -4.5371000000e-02  1.0828190000e+00
+ENERGY -1.526577574491e+02
+FORCES  1.0122500000e-02 -3.8045000000e-03  1.1840900000e-02 -5.0217000000e-03  5.0327000000e-03 -6.2369000000e-03 -1.4064000000e-03  1.5266000000e-03  1.0538000000e-03  9.6170000000e-04  6.4450000000e-04 -4.6410000000e-04  8.7220000000e-04 -3.4748000000e-03 -5.7010000000e-03 -5.5283000000e-03  7.5500000000e-05 -4.9270000000e-04
+
+JOB 6
+COORDS -7.8617700000e-01 -8.2910900000e-01  6.7847500000e-01 -1.0278020000e+00 -1.6227080000e+00  2.0092900000e-01 -1.6186790000e+00 -4.7290500000e-01  9.8878300000e-01  8.5929900000e-01  8.2604800000e-01 -7.3192100000e-01  3.8359700000e-01  3.6835000000e-01 -3.8775000000e-02  1.0159910000e+00  1.7014110000e+00 -3.7777400000e-01
+ENERGY -1.526602846979e+02
+FORCES -5.5870000000e-04  8.2440000000e-04 -5.9469000000e-03 -4.7120000000e-04  3.6073000000e-03  3.4396000000e-03  4.0505000000e-03 -1.7550000000e-03 -1.6811000000e-03 -7.1502000000e-03 -6.9869000000e-03  7.7472000000e-03  6.2714000000e-03  7.5703000000e-03 -3.8342000000e-03 -2.1418000000e-03 -3.2602000000e-03  2.7540000000e-04
+
+JOB 7
+COORDS  6.7562200000e-01 -9.6256000000e-01  7.8381900000e-01  6.5260000000e-02 -2.9645200000e-01  4.6760600000e-01  7.6935300000e-01 -7.7789900000e-01  1.7183490000e+00 -6.7731000000e-01  9.0631600000e-01 -7.5936900000e-01 -8.4833900000e-01  4.2822100000e-01 -1.5707920000e+00  5.1958000000e-02  1.4883740000e+00 -9.7293100000e-01
+ENERGY -1.526614672197e+02
+FORCES -7.3134000000e-03  8.3769000000e-03 -4.2892000000e-03  6.2640000000e-03 -7.1535000000e-03  6.2431000000e-03 -8.6790000000e-04  1.0972000000e-03 -3.5253000000e-03  4.3964000000e-03 -1.9366000000e-03 -3.8587000000e-03  1.3210000000e-03  2.8596000000e-03  4.1159000000e-03 -3.8001000000e-03 -3.2436000000e-03  1.3142000000e-03
+
+JOB 8
+COORDS -5.8920000000e-03  1.0138490000e+00 -8.7013700000e-01 -9.2457200000e-01  8.7052400000e-01 -1.0975520000e+00  1.3610500000e-01  1.9481230000e+00 -1.0224540000e+00 -2.8060000000e-03 -1.1046440000e+00  9.0148700000e-01  8.4124100000e-01 -1.1655590000e+00  1.3488190000e+00  7.6854000000e-02 -3.3138700000e-01  3.4295300000e-01
+ENERGY -1.526603882777e+02
+FORCES -1.6493000000e-03  7.5090000000e-04  1.8961000000e-03  5.6342000000e-03  6.5870000000e-04  2.6634000000e-03 -1.8780000000e-03 -4.2441000000e-03 -6.1970000000e-04  4.2609000000e-03  9.8022000000e-03 -6.0970000000e-03 -2.1725000000e-03  7.1120000000e-04 -1.2836000000e-03 -4.1954000000e-03 -7.6789000000e-03  3.4408000000e-03
+
+JOB 9
+COORDS  1.9312400000e-01 -6.3297300000e-01  1.1760690000e+00  9.0392800000e-01 -2.0948400000e-01  1.6573670000e+00 -4.2228000000e-01 -9.1269000000e-01  1.8537620000e+00 -1.9686900000e-01  6.5928300000e-01 -1.3008780000e+00  1.0358800000e-01 -2.3265700000e-01 -1.1265210000e+00 -5.5680600000e-01  9.5877900000e-01 -4.6602500000e-01
+ENERGY -1.526583059827e+02
+FORCES  1.4139000000e-03  7.8590000000e-04  2.1518000000e-03 -4.1708000000e-03 -1.7479000000e-03 -2.0586000000e-03  2.7047000000e-03  2.4749000000e-03 -3.3948000000e-03  6.5850000000e-04 -6.9532000000e-03  1.1927600000e-02  2.1290000000e-04  1.8823000000e-03 -5.1376000000e-03 -8.1910000000e-04  3.5581000000e-03 -3.4884000000e-03
+
+JOB 10
+COORDS -1.1040000000e+00  6.0150100000e-01 -5.6286300000e-01 -1.5682100000e+00  4.9903900000e-01  2.6794500000e-01 -1.2282090000e+00  1.5217130000e+00 -7.9527300000e-01  1.1996510000e+00 -6.7736200000e-01  5.5421300000e-01  3.2270100000e-01 -7.8155600000e-01  9.2344600000e-01  1.0743980000e+00 -1.0750000000e-01 -2.0460300000e-01
+ENERGY -1.526556532635e+02
+FORCES -1.5928000000e-03  2.3927000000e-03  3.8661000000e-03  3.8418000000e-03 -1.0196000000e-03 -3.0805000000e-03  1.4712000000e-03 -4.5189000000e-03  1.1498000000e-03 -1.0360900000e-02  5.2525000000e-03 -6.1516000000e-03  7.7920000000e-04 -5.7400000000e-04  2.3501000000e-03  5.8615000000e-03 -1.5327000000e-03  1.8661000000e-03
+
+JOB 11
+COORDS  9.4342000000e-01 -7.6497500000e-01  7.4364900000e-01  1.7443640000e+00 -1.2248620000e+00  4.9220400000e-01  5.0341100000e-01 -5.7835300000e-01 -8.5685000000e-02 -9.6981900000e-01  7.1443600000e-01 -6.4298300000e-01 -8.0008400000e-01  8.0262200000e-01 -1.5808770000e+00 -1.0129870000e+00  1.6148940000e+00 -3.2120200000e-01
+ENERGY -1.526574212693e+02
+FORCES -5.5815000000e-03  3.4742000000e-03 -5.2872000000e-03 -3.7188000000e-03  2.6451000000e-03 -8.6850000000e-04  7.4751000000e-03 -5.7710000000e-03  1.2553000000e-03  1.1805000000e-03  5.4354000000e-03  2.6846000000e-03  1.5814000000e-03 -2.2164000000e-03  5.3501000000e-03 -9.3670000000e-04 -3.5673000000e-03 -3.1342000000e-03
+
+JOB 12
+COORDS -5.4164500000e-01 -8.0489300000e-01  9.9872200000e-01 -1.0720940000e+00 -1.0113720000e+00  2.2916300000e-01 -2.5098200000e-01 -1.6564020000e+00  1.3253410000e+00  5.1066500000e-01  8.7375400000e-01 -1.0327330000e+00  1.2428220000e+00  1.4679120000e+00 -8.6794700000e-01  5.0787200000e-01  2.8192500000e-01 -2.8042800000e-01
+ENERGY -1.526606981681e+02
+FORCES -3.6930000000e-03 -3.6891000000e-03 -1.5420000000e-03  5.5263000000e-03  1.2305000000e-03  3.9522000000e-03 -1.2195000000e-03  4.2753000000e-03 -2.2003000000e-03  2.2000000000e-05 -2.9693000000e-03  8.8836000000e-03 -2.0591000000e-03 -2.5505000000e-03  3.5290000000e-04  1.4233000000e-03  3.7032000000e-03 -9.4463000000e-03
+
+JOB 13
+COORDS  7.3972200000e-01 -5.5227700000e-01 -1.1380120000e+00  2.6488900000e-01 -3.1357900000e-01 -3.4190400000e-01  1.4252790000e+00  1.1110300000e-01 -1.2165670000e+00 -7.4260400000e-01  5.5188800000e-01  1.0490250000e+00 -9.3780000000e-02  3.3046000000e-02  1.5244870000e+00 -1.5855440000e+00  2.5351400000e-01  1.3905760000e+00
+ENERGY -1.526574098911e+02
+FORCES -5.6069000000e-03  7.8212000000e-03  5.6096000000e-03  8.1170000000e-03 -5.9882000000e-03  1.1330000000e-04 -1.9170000000e-03 -2.4803000000e-03  1.0146000000e-03 -3.0554000000e-03 -2.1833000000e-03  2.7733000000e-03 -2.3229000000e-03  1.3326000000e-03 -8.5824000000e-03  4.7852000000e-03  1.4980000000e-03 -9.2850000000e-04
+
+JOB 14
+COORDS -2.4109500000e-01  4.5489900000e-01  1.2756840000e+00  6.4613100000e-01  8.0818900000e-01  1.3408540000e+00 -4.6939000000e-01  2.1246300000e-01  2.1730910000e+00  2.4390000000e-01 -4.2461100000e-01 -1.3701560000e+00 -7.5488000000e-02 -2.4048900000e-01 -4.8679800000e-01 -1.3524600000e-01 -1.2756030000e+00 -1.5899130000e+00
+ENERGY -1.526612098858e+02
+FORCES  2.3861000000e-03 -4.5570000000e-04  2.2536000000e-03 -5.1334000000e-03 -2.7011000000e-03 -3.2340000000e-04  2.0861000000e-03  1.9154000000e-03 -3.4730000000e-03 -4.6615000000e-03 -3.8800000000e-05  9.0208000000e-03  4.4837000000e-03 -1.2069000000e-03 -8.7814000000e-03  8.3900000000e-04  2.4872000000e-03  1.3033000000e-03
+
+JOB 15
+COORDS  5.5979400000e-01 -1.3674130000e+00 -2.6032400000e-01  4.7079900000e-01 -5.0545000000e-01  1.4628700000e-01 -1.8699500000e-01 -1.8668400000e+00  6.9996000000e-02 -5.1788500000e-01  1.2823300000e+00  2.1390600000e-01 -5.5524100000e-01  1.7658820000e+00  1.0391410000e+00 -4.3725600000e-01  1.9596170000e+00 -4.5766900000e-01
+ENERGY -1.526601631477e+02
+FORCES -6.5034000000e-03  8.0555000000e-03  2.7560000000e-03  4.4606000000e-03 -7.8917000000e-03  2.0860000000e-04  2.5049000000e-03  9.0270000000e-04 -7.6340000000e-04 -2.4150000000e-04  4.0447000000e-03 -2.3839000000e-03  5.6880000000e-04 -2.9222000000e-03 -4.0835000000e-03 -7.8950000000e-04 -2.1890000000e-03  4.2662000000e-03
+
+JOB 16
+COORDS -7.7143000000e-02 -1.2425510000e+00 -6.4128700000e-01 -8.9990700000e-01 -1.3259070000e+00 -1.1233060000e+00  1.3503000000e-01 -2.1363450000e+00 -3.7231200000e-01  1.4491400000e-01  1.3084140000e+00  7.1467800000e-01 -3.2707800000e-01  1.9571100000e+00  1.9252100000e-01  1.2297800000e-01  5.1167500000e-01  1.8462500000e-01
+ENERGY -1.526608642806e+02
+FORCES -1.4694000000e-03 -3.5330000000e-03  1.5818000000e-03  4.0257000000e-03  5.9560000000e-04  2.3780000000e-03 -2.1064000000e-03  3.3114000000e-03 -2.5073000000e-03 -9.9740000000e-04 -7.3078000000e-03 -5.8658000000e-03  8.9150000000e-04 -2.8333000000e-03  1.0923000000e-03 -3.4400000000e-04  9.7672000000e-03  3.3210000000e-03
+
+JOB 17
+COORDS  5.8093900000e-01  1.2938730000e+00 -4.7582200000e-01  1.4398070000e+00  1.2306010000e+00 -8.9364400000e-01  1.6722500000e-01  4.4812100000e-01 -6.4837900000e-01 -6.0553400000e-01 -1.1713570000e+00  4.9450400000e-01 -1.0257830000e+00 -1.5727910000e+00  1.2550770000e+00 -2.0468400000e-01 -1.9042430000e+00  2.7139000000e-02
+ENERGY -1.526562634439e+02
+FORCES -1.6737000000e-03 -7.0954000000e-03  1.7035000000e-03 -3.1936000000e-03 -8.7200000000e-04  1.6278000000e-03  4.3347000000e-03  4.4587000000e-03 -4.9630000000e-03 -5.5360000000e-04 -2.0347000000e-03  4.2990000000e-03  2.2586000000e-03  3.5440000000e-04 -3.5593000000e-03 -1.1724000000e-03  5.1889000000e-03  8.9210000000e-04
+
+JOB 18
+COORDS  8.3116600000e-01 -1.1517500000e-01 -1.1583480000e+00  1.5830360000e+00 -5.2494000000e-01 -7.3054500000e-01  8.5441500000e-01 -4.4841800000e-01 -2.0553660000e+00 -8.9087100000e-01  1.2554700000e-01  1.2443150000e+00 -5.0356700000e-01 -2.7203600000e-01  4.6447200000e-01 -1.0104840000e+00  1.0459440000e+00  1.0102350000e+00
+ENERGY -1.526605762702e+02
+FORCES  3.9754000000e-03 -1.8182000000e-03 -2.7136000000e-03 -4.9664000000e-03  1.2953000000e-03 -2.1375000000e-03  5.8880000000e-04  1.5347000000e-03  4.4261000000e-03  3.6473000000e-03  2.5924000000e-03 -9.5043000000e-03 -2.7288000000e-03 -1.2572000000e-03  7.8640000000e-03 -5.1620000000e-04 -2.3470000000e-03  2.0652000000e-03
+
+JOB 19
+COORDS  4.6134700000e-01  1.0720700000e-01  1.3721880000e+00 -3.0115200000e-01 -2.5251500000e-01  1.8254280000e+00  6.3299900000e-01  9.3875700000e-01  1.8141080000e+00 -4.8009900000e-01 -9.2749000000e-02 -1.4394130000e+00  3.3078400000e-01  1.2342900000e-01 -9.7901400000e-01 -3.9433100000e-01 -1.0218240000e+00 -1.6531800000e+00
+ENERGY -1.526575197659e+02
+FORCES -5.8996000000e-03  9.3730000000e-04  2.3533000000e-03  4.1369000000e-03  1.3919000000e-03 -2.1200000000e-04 -7.8340000000e-04 -3.4205000000e-03 -2.5349000000e-03  5.3802000000e-03 -2.0732000000e-03  6.6216000000e-03 -1.9949000000e-03  1.4420000000e-04 -7.1633000000e-03 -8.3920000000e-04  3.0204000000e-03  9.3530000000e-04
+
+JOB 20
+COORDS  1.0045700000e-01 -7.3411000000e-01  1.3316380000e+00 -3.3889400000e-01  1.0450800000e-01  1.4727810000e+00 -5.7251900000e-01 -1.2959190000e+00  9.4731200000e-01 -9.7246000000e-02  7.1995500000e-01 -1.3183650000e+00  4.9370300000e-01  3.2552800000e-01 -1.9597990000e+00  4.8294000000e-01  1.0861700000e+00 -6.5090500000e-01
+ENERGY -1.526549418271e+02
+FORCES -6.8653000000e-03  1.4673000000e-03 -5.8644000000e-03  3.5666000000e-03 -1.7678000000e-03 -2.1480000000e-04  2.6672000000e-03  6.0760000000e-04  3.4549000000e-03  6.9003000000e-03 -3.1706000000e-03  3.0198000000e-03 -2.6164000000e-03  1.6485000000e-03  1.9291000000e-03 -3.6523000000e-03  1.2151000000e-03 -2.3246000000e-03
+
+JOB 21
+COORDS  5.3134000000e-01  1.3739530000e+00  3.4859700000e-01 -1.9901500000e-01  1.1332750000e+00 -2.2139200000e-01  1.1884940000e+00  1.7384100000e+00 -2.4432100000e-01 -5.9469100000e-01 -1.3511790000e+00 -2.9750300000e-01  1.9256800000e-01 -8.5783200000e-01 -6.7147000000e-02 -3.0542800000e-01 -2.2630320000e+00 -3.3040800000e-01
+ENERGY -1.526590716297e+02
+FORCES -2.6303000000e-03  4.2247000000e-03 -4.3155000000e-03  6.7031000000e-03 -1.1879000000e-03  3.3212000000e-03 -2.8167000000e-03 -2.7507000000e-03  2.5769000000e-03  4.9396000000e-03 -8.5630000000e-04  2.9463000000e-03 -6.0366000000e-03 -3.2042000000e-03 -4.9481000000e-03 -1.5900000000e-04  3.7744000000e-03  4.1920000000e-04
+
+JOB 22
+COORDS  1.0163930000e+00  7.1790700000e-01  8.8781100000e-01  5.3537700000e-01  3.7380200000e-01  1.3518300000e-01  1.9146540000e+00  8.1870400000e-01  5.7285200000e-01 -9.8668700000e-01 -6.6743700000e-01 -8.4126900000e-01 -1.0333730000e+00 -1.6015380000e+00 -6.3753200000e-01 -1.9000390000e+00 -3.8283200000e-01 -8.7320800000e-01
+ENERGY -1.526614813801e+02
+FORCES -2.9982000000e-03 -2.8042000000e-03 -6.2407000000e-03  7.7235000000e-03  4.5148000000e-03  5.5213000000e-03 -3.3170000000e-03 -9.6390000000e-04  4.6490000000e-04 -4.7654000000e-03 -2.6492000000e-03  1.8994000000e-03 -4.0110000000e-04  4.2494000000e-03 -1.4868000000e-03  3.7582000000e-03 -2.3468000000e-03 -1.5810000000e-04
+
+JOB 23
+COORDS -8.2681900000e-01 -1.1334400000e-01  1.3028870000e+00 -1.2799170000e+00  7.2786500000e-01  1.3603430000e+00 -6.4181700000e-01 -2.2306900000e-01  3.7016700000e-01  7.8848700000e-01  5.1667000000e-02 -1.2357710000e+00  1.1572620000e+00  9.3418100000e-01 -1.1982940000e+00  1.5012610000e+00 -4.9224200000e-01 -1.5709550000e+00
+ENERGY -1.526597003343e+02
+FORCES  2.0808000000e-03  1.7774000000e-03 -7.4480000000e-03  2.1276000000e-03 -2.3589000000e-03 -4.1260000000e-04 -5.4810000000e-03  3.1250000000e-04  7.3577000000e-03  5.6634000000e-03  9.2440000000e-04  2.6520000000e-04 -1.8012000000e-03 -3.8559000000e-03 -7.9020000000e-04 -2.5895000000e-03  3.2003000000e-03  1.0279000000e-03
+
+JOB 24
+COORDS -9.9803100000e-01  9.3718100000e-01 -5.6451100000e-01 -1.2981100000e-01  1.3334350000e+00 -4.9097000000e-01 -1.4521330000e+00  1.4731090000e+00 -1.2147450000e+00  1.0043270000e+00 -9.9644200000e-01  6.4689100000e-01  7.3207100000e-01 -1.6996730000e+00  5.7336000000e-02  6.0812000000e-01 -2.0706600000e-01  2.7792100000e-01
+ENERGY -1.526534411548e+02
+FORCES  1.1350000000e-04  5.2394000000e-03 -3.1653000000e-03 -1.9215000000e-03 -8.3859000000e-03  2.1113000000e-03  1.9697000000e-03 -2.4663000000e-03  3.2635000000e-03 -7.6289000000e-03 -3.0780000000e-04 -5.1122000000e-03  2.4078000000e-03  1.4110000000e-03  2.5862000000e-03  5.0595000000e-03  4.5097000000e-03  3.1660000000e-04
+
+JOB 25
+COORDS -1.0595780000e+00  1.0651720000e+00  9.2511000000e-02 -1.4412550000e+00  4.5523100000e-01  7.2380000000e-01 -7.7775700000e-01  1.8120760000e+00  6.2066200000e-01  1.1042480000e+00 -1.0657900000e+00 -1.0970500000e-01  3.9065700000e-01 -5.3569800000e-01 -4.6470100000e-01  1.1625780000e+00 -1.8164430000e+00 -7.0076200000e-01
+ENERGY -1.526602774340e+02
+FORCES  1.9400000000e-05  2.6181000000e-03  6.6741000000e-03  2.2529000000e-03  2.3195000000e-03 -4.1049000000e-03 -2.3199000000e-03 -3.0804000000e-03 -1.9901000000e-03 -3.6511000000e-03  3.1951000000e-03 -3.6138000000e-03  4.8759000000e-03 -8.1970000000e-03  1.0072000000e-03 -1.1773000000e-03  3.1446000000e-03  2.0275000000e-03
+
+JOB 26
+COORDS -3.7774700000e-01  3.2845600000e-01 -1.5184800000e+00 -1.7091000000e-01 -6.0612600000e-01 -1.5159180000e+00 -1.3584600000e-01  6.3018800000e-01 -6.4288100000e-01  2.8195200000e-01 -3.0199900000e-01  1.4754710000e+00  9.1338200000e-01 -8.6472500000e-01  1.0272890000e+00  8.0324100000e-01  4.3178400000e-01  1.8011300000e+00
+ENERGY -1.526564537446e+02
+FORCES  4.4200000000e-05 -3.7438000000e-03  8.3490000000e-03  5.8320000000e-04  2.7463000000e-03 -7.7290000000e-04  1.3979000000e-03  1.8437000000e-03 -6.9152000000e-03  5.1742000000e-03 -1.3881000000e-03  2.7562000000e-03 -4.0548000000e-03  3.5543000000e-03  2.3800000000e-05 -3.1447000000e-03 -3.0123000000e-03 -3.4408000000e-03
+
+JOB 27
+COORDS  9.6474700000e-01  8.9085300000e-01 -7.2340200000e-01  1.4572350000e+00  1.0112280000e+00  8.8508000000e-02  1.1032830000e+00  1.7029560000e+00 -1.2107710000e+00 -1.0218700000e+00 -9.5466900000e-01  7.6394800000e-01 -4.7483200000e-01 -2.1523400000e-01  4.9896100000e-01 -1.1596090000e+00 -1.4522770000e+00 -4.2058000000e-02
+ENERGY -1.526593834979e+02
+FORCES  3.6742000000e-03  5.0004000000e-03 -9.6570000000e-04 -4.9299000000e-03 -1.0940000000e-03 -3.3476000000e-03  3.9810000000e-04 -3.7813000000e-03  2.3866000000e-03  3.4202000000e-03  3.1847000000e-03 -8.0033000000e-03 -1.9586000000e-03 -3.8606000000e-03  6.7159000000e-03 -6.0390000000e-04  5.5070000000e-04  3.2141000000e-03
+
+JOB 28
+COORDS -2.4453300000e-01 -1.5135090000e+00 -4.4455100000e-01 -3.3703500000e-01 -1.7136920000e+00  4.8690100000e-01 -7.7776800000e-01 -7.2947300000e-01 -5.7562600000e-01  2.3455300000e-01  1.4380070000e+00  3.7544800000e-01  2.6214000000e-01  2.3915110000e+00  2.9607300000e-01  1.0246930000e+00  1.2152030000e+00  8.6765600000e-01
+ENERGY -1.526573219350e+02
+FORCES -2.4769000000e-03  6.5918000000e-03  3.5143000000e-03  1.1520000000e-03 -3.6800000000e-05 -3.0627000000e-03 -8.8600000000e-05 -6.3350000000e-03 -1.0610000000e-03  5.1402000000e-03  2.0644000000e-03  1.4039000000e-03  5.8000000000e-05 -4.3297000000e-03  1.7800000000e-04 -3.7848000000e-03  2.0452000000e-03 -9.7250000000e-04
+
+JOB 29
+COORDS  5.0463500000e-01 -1.4359320000e+00  4.4396100000e-01 -1.2060800000e-01 -2.1229040000e+00  6.7498800000e-01 -2.0636000000e-02 -7.7534700000e-01 -7.6460000000e-03 -3.7066000000e-01  1.4560260000e+00 -4.2194800000e-01 -1.0780930000e+00  1.4343420000e+00  2.2248900000e-01 -7.7564500000e-01  1.1495370000e+00 -1.2332940000e+00
+ENERGY -1.526559916457e+02
+FORCES -3.0845000000e-03  3.6619000000e-03 -1.6007000000e-03  1.7235000000e-03  3.7383000000e-03 -1.0758000000e-03 -6.2510000000e-04 -8.1140000000e-03  1.3783000000e-03 -4.2840000000e-03  4.1083000000e-03 -4.9240000000e-04  3.6791000000e-03 -1.9811000000e-03 -3.7789000000e-03  2.5910000000e-03 -1.4135000000e-03  5.5695000000e-03
+
+JOB 30
+COORDS  2.5864600000e-01  1.5887190000e+00  1.5931300000e-01  2.9349300000e-01  8.5425400000e-01 -4.5353300000e-01  7.8291000000e-01  1.3023060000e+00  9.0720800000e-01 -2.4769100000e-01 -1.5090430000e+00 -1.1989400000e-01 -3.2859200000e-01 -2.4154220000e+00 -4.1681700000e-01 -8.8942500000e-01 -1.0273490000e+00 -6.4179400000e-01
+ENERGY -1.526566009332e+02
+FORCES  3.7461000000e-03 -7.2433000000e-03  2.1982000000e-03 -3.5729000000e-03  4.0272000000e-03 -2.4080000000e-04 -1.4972000000e-03  3.1609000000e-03 -2.3086000000e-03 -4.3790000000e-03 -3.5088000000e-03 -2.3742000000e-03 -9.3100000000e-05  4.1817000000e-03  1.5148000000e-03  5.7960000000e-03 -6.1770000000e-04  1.2106000000e-03
+
+JOB 31
+COORDS -1.5699870000e+00 -2.8982100000e-01  2.4457700000e-01 -1.9967050000e+00  1.1521000000e-01 -5.1046800000e-01 -6.4111200000e-01 -3.0792200000e-01  1.4149000000e-02  1.5066250000e+00  3.2407600000e-01 -2.1439100000e-01  1.7863930000e+00 -4.7459500000e-01 -6.6170100000e-01  1.7849390000e+00  2.0091400000e-01  6.9313500000e-01
+ENERGY -1.526597308385e+02
+FORCES  5.8073000000e-03  3.9726000000e-03 -4.3658000000e-03  1.0914000000e-03 -1.7806000000e-03  2.4279000000e-03 -7.9872000000e-03 -4.3863000000e-03  1.8321000000e-03  6.7134000000e-03 -1.2396000000e-03  2.5060000000e-03 -3.6278000000e-03  3.6190000000e-03  2.5915000000e-03 -1.9971000000e-03 -1.8510000000e-04 -4.9916000000e-03
+
+JOB 32
+COORDS -8.5133700000e-01 -1.2829720000e+00 -5.3945100000e-01 -5.7022900000e-01 -1.8899710000e+00  1.4521200000e-01 -1.3244200000e-01 -6.5535200000e-01 -6.1370300000e-01  7.7325800000e-01  1.2953500000e+00  4.3576200000e-01  7.0527900000e-01  1.9340550000e+00  1.1454570000e+00  1.1572830000e+00  5.2054400000e-01  8.4616700000e-01
+ENERGY -1.526547013028e+02
+FORCES  3.3469000000e-03  3.3526000000e-03  2.0473000000e-03 -3.4300000000e-04  3.0012000000e-03 -2.1627000000e-03 -8.9480000000e-04 -6.6589000000e-03  8.9180000000e-04 -2.2490000000e-04  1.8094000000e-03  6.2143000000e-03  1.1354000000e-03 -2.8713000000e-03 -2.7713000000e-03 -3.0196000000e-03  1.3670000000e-03 -4.2195000000e-03
+
+JOB 33
+COORDS  5.9615400000e-01 -9.3149200000e-01 -1.2385800000e+00 -3.3846600000e-01 -7.5749800000e-01 -1.1270240000e+00  9.3366400000e-01 -1.0108190000e+00 -3.4637700000e-01 -5.9692100000e-01  8.7268700000e-01  1.1952560000e+00 -4.5276100000e-01  1.2568770000e+00  3.3047400000e-01 -1.1407500000e-01  1.4420700000e+00  1.7943350000e+00
+ENERGY -1.526573539396e+02
+FORCES -3.3167000000e-03 -1.2114000000e-03  6.7513000000e-03  3.7019000000e-03  1.4040000000e-03 -2.1498000000e-03  6.0350000000e-04 -3.2000000000e-05 -5.0811000000e-03  2.4790000000e-03  5.5590000000e-03 -6.7100000000e-04 -1.7087000000e-03 -3.0888000000e-03  3.8679000000e-03 -1.7591000000e-03 -2.6309000000e-03 -2.7173000000e-03
+
+JOB 34
+COORDS -1.4005820000e+00 -1.0081200000e-01  8.4521200000e-01 -9.3093200000e-01  3.3861300000e-01  1.3629300000e-01 -1.8844010000e+00 -8.0438200000e-01  4.1261500000e-01  1.4195850000e+00  1.8616300000e-01 -7.5441200000e-01  1.2400680000e+00 -5.4146600000e-01 -1.5896100000e-01  1.3029530000e+00 -1.8504000000e-01 -1.6289610000e+00
+ENERGY -1.526579855369e+02
+FORCES -2.9700000000e-05  1.6130000000e-03 -5.1994000000e-03 -4.4898000000e-03 -4.2807000000e-03  4.2415000000e-03  2.9732000000e-03  2.3791000000e-03  1.4495000000e-03  2.4530000000e-03 -5.5561000000e-03 -2.5280000000e-04  1.1000000000e-06  4.0661000000e-03 -4.5386000000e-03 -9.0780000000e-04  1.7787000000e-03  4.2999000000e-03
+
+JOB 35
+COORDS  6.9078300000e-01  8.8411000000e-01  1.0850300000e+00  5.4511700000e-01  1.8221260000e+00  9.6199500000e-01  1.6226840000e+00  8.1095300000e-01  1.2910450000e+00 -7.9799300000e-01 -9.0512300000e-01 -1.0986340000e+00 -1.2749100000e-01 -5.4666600000e-01 -5.1711100000e-01 -3.7337900000e-01 -1.6500810000e+00 -1.5240420000e+00
+ENERGY -1.526599456726e+02
+FORCES  2.6318000000e-03  6.0956000000e-03  2.2193000000e-03  1.5755000000e-03 -4.2241000000e-03  1.0801000000e-03 -4.3080000000e-03  6.1800000000e-05 -1.5786000000e-03  4.7722000000e-03  8.8970000000e-04  3.5914000000e-03 -3.7351000000e-03 -5.6156000000e-03 -7.1272000000e-03 -9.3630000000e-04  2.7926000000e-03  1.8150000000e-03
+
+JOB 36
+COORDS  1.2286320000e+00 -7.0676300000e-01 -7.2508600000e-01  1.8254750000e+00 -4.8763700000e-01 -1.4406240000e+00  1.5674450000e+00 -2.2145300000e-01  2.7184000000e-02 -1.2998870000e+00  6.2737500000e-01  7.6506800000e-01 -1.5979700000e+00  7.0273900000e-01 -1.4140800000e-01 -6.3131500000e-01  1.3064470000e+00  8.5509100000e-01
+ENERGY -1.526532549029e+02
+FORCES  3.5831000000e-03  1.6642000000e-03  2.1715000000e-03 -3.4998000000e-03 -3.8120000000e-04  3.0142000000e-03 -6.8730000000e-04 -7.8430000000e-04 -3.7697000000e-03  2.6598000000e-03  1.0302000000e-03 -6.2187000000e-03 -5.2950000000e-04  1.1545000000e-03  4.2254000000e-03 -1.5263000000e-03 -2.6834000000e-03  5.7730000000e-04
+
+JOB 37
+COORDS -6.1505300000e-01  2.6162700000e-01 -1.4093690000e+00  1.4625000000e-02  5.4369400000e-01 -2.0728260000e+00 -1.3866270000e+00 -5.4280000000e-03 -1.9089560000e+00  6.7240000000e-01 -3.1533400000e-01  1.4915600000e+00  2.1919400000e-01 -2.0847500000e-01  6.5524900000e-01  3.4189600000e-01  3.9877100000e-01  2.0365860000e+00
+ENERGY -1.526609511917e+02
+FORCES -1.1974000000e-03 -6.0700000000e-05 -6.3346000000e-03 -3.4638000000e-03 -1.2828000000e-03  2.5608000000e-03  3.6626000000e-03  1.7126000000e-03  1.3707000000e-03 -4.5300000000e-03  3.3886000000e-03 -4.2711000000e-03  4.3005000000e-03 -1.3632000000e-03  8.1929000000e-03  1.2280000000e-03 -2.3944000000e-03 -1.5187000000e-03
+
+JOB 38
+COORDS -6.3733400000e-01  4.8695600000e-01 -1.4270860000e+00 -5.7113000000e-01 -3.5129800000e-01 -1.8844460000e+00  2.6869300000e-01  7.8081900000e-01 -1.3322660000e+00  5.8110600000e-01 -5.1575900000e-01  1.4108200000e+00 -1.7775600000e-01  5.6373000000e-02  1.5249500000e+00  1.2766330000e+00 -9.5667000000e-02  1.9167810000e+00
+ENERGY -1.526562645516e+02
+FORCES  5.7554000000e-03 -4.4492000000e-03  1.0170000000e-04 -7.5940000000e-04  3.6810000000e-03  6.9970000000e-04 -3.9425000000e-03  6.1460000000e-04 -1.5098000000e-03 -2.8072000000e-03  3.7974000000e-03  2.1427000000e-03  4.4131000000e-03 -2.3993000000e-03  1.6530000000e-03 -2.6594000000e-03 -1.2444000000e-03 -3.0873000000e-03
+
+JOB 39
+COORDS  1.1021690000e+00  4.8158900000e-01  1.0264500000e+00  1.1173620000e+00  1.1984130000e+00  1.6606150000e+00  1.3210140000e+00 -2.9677300000e-01  1.5387890000e+00 -1.1159640000e+00 -4.2524600000e-01 -1.1119150000e+00 -3.9339400000e-01 -1.0527210000e+00 -1.1319320000e+00 -1.8204230000e+00 -8.8494200000e-01 -6.5513400000e-01
+ENERGY -1.526520487629e+02
+FORCES -2.9820000000e-04  1.0972000000e-03  4.3582000000e-03  3.2200000000e-05 -3.1705000000e-03 -2.5025000000e-03 -1.3823000000e-03  2.4820000000e-03 -3.0991000000e-03  2.7984000000e-03 -2.9016000000e-03  3.9584000000e-03 -3.7148000000e-03  7.7790000000e-04 -9.8530000000e-04  2.5647000000e-03  1.7150000000e-03 -1.7298000000e-03
+
+JOB 40
+COORDS -7.9107500000e-01 -6.9602800000e-01 -1.3137150000e+00 -1.1551400000e-01 -1.3282800000e+00 -1.5588800000e+00 -4.5712800000e-01 -2.8507400000e-01 -5.1632700000e-01  7.5096300000e-01  6.5043400000e-01  1.2562010000e+00  1.0066220000e+00  1.5279640000e+00  9.7193000000e-01  1.5205200000e-01  8.0011900000e-01  1.9877280000e+00
+ENERGY -1.526606814590e+02
+FORCES  5.8592000000e-03  4.5800000000e-05  5.0424000000e-03 -2.5022000000e-03  1.9605000000e-03  1.8610000000e-04 -5.1160000000e-03 -2.7470000000e-03 -7.1318000000e-03  8.2160000000e-04  5.7044000000e-03  4.6387000000e-03 -1.6744000000e-03 -4.3912000000e-03  1.3147000000e-03  2.6117000000e-03 -5.7260000000e-04 -4.0500000000e-03
+
+JOB 41
+COORDS  1.7063360000e+00 -4.4104500000e-01  3.3943000000e-02  7.8250900000e-01 -2.0348600000e-01  1.1357500000e-01  2.0703930000e+00  2.0912200000e-01 -5.6687000000e-01 -1.6849030000e+00  3.6235800000e-01 -5.8722000000e-02 -1.6562100000e+00 -5.5548000000e-02  8.0195400000e-01 -1.5184560000e+00  1.2881900000e+00  1.1837100000e-01
+ENERGY -1.526572622633e+02
+FORCES -4.3107000000e-03  3.2105000000e-03 -3.9446000000e-03  6.8415000000e-03 -1.0113000000e-03  2.8915000000e-03 -1.0038000000e-03 -2.1368000000e-03  2.6044000000e-03 -4.3978000000e-03  2.7666000000e-03  4.3754000000e-03  2.0882000000e-03  2.1785000000e-03 -4.8757000000e-03  7.8260000000e-04 -5.0076000000e-03 -1.0511000000e-03
+
+JOB 42
+COORDS -1.3676510000e+00 -3.2910900000e-01 -1.0492670000e+00 -1.9344560000e+00  4.4077300000e-01 -1.0966720000e+00 -5.4691700000e-01 -6.4100000000e-04 -6.8220100000e-01  1.3629290000e+00  2.6225800000e-01  9.7519200000e-01  1.7877230000e+00  9.7894700000e-01  1.4465070000e+00  8.7862300000e-01 -2.1450100000e-01  1.6492690000e+00
+ENERGY -1.526590675316e+02
+FORCES  3.2127000000e-03  4.8318000000e-03  1.4041000000e-03  1.8798000000e-03 -2.8222000000e-03  3.0300000000e-04 -7.2352000000e-03 -2.4767000000e-03 -3.0126000000e-03  2.1828000000e-03  8.8980000000e-04  6.4825000000e-03 -1.9700000000e-03 -3.3457000000e-03 -1.6086000000e-03  1.9299000000e-03  2.9230000000e-03 -3.5684000000e-03
+
+JOB 43
+COORDS  1.4622560000e+00  7.5031000000e-02  8.9153500000e-01  1.4927000000e+00 -1.1490300000e-01  1.8292080000e+00  1.4730800000e+00  1.0307700000e+00  8.3979200000e-01 -1.4781450000e+00 -1.5565600000e-01 -9.9606400000e-01 -1.2270280000e+00  7.6444800000e-01 -9.1493800000e-01 -1.4823710000e+00 -4.8345800000e-01 -9.6754000000e-02
+ENERGY -1.526540587162e+02
+FORCES  2.2705000000e-03  3.0410000000e-03  3.3922000000e-03 -9.6060000000e-04  6.7850000000e-04 -4.3314000000e-03 -1.2022000000e-03 -4.0822000000e-03  1.4000000000e-06  4.1900000000e-03  1.6122000000e-03  5.2213000000e-03 -1.7420000000e-03 -2.4312000000e-03 -7.8830000000e-04 -2.5557000000e-03  1.1817000000e-03 -3.4953000000e-03
+
+JOB 44
+COORDS  6.7178100000e-01 -1.1359600000e+00  1.0938560000e+00  1.4095860000e+00 -1.6688040000e+00  7.9728500000e-01  1.0213860000e+00 -6.2839700000e-01  1.8262410000e+00 -7.3662600000e-01  1.1564060000e+00 -1.1808090000e+00 -1.0614900000e+00  1.6360340000e+00 -4.1880400000e-01 -4.4454600000e-01  3.1566600000e-01 -8.2856300000e-01
+ENERGY -1.526586239791e+02
+FORCES  5.7964000000e-03 -1.1980000000e-03  3.4429000000e-03 -3.3216000000e-03  2.5215000000e-03  1.3337000000e-03 -1.6484000000e-03 -2.2376000000e-03 -3.2182000000e-03  5.5230000000e-04 -3.4032000000e-03  6.1047000000e-03  1.0295000000e-03 -8.1850000000e-04 -2.8827000000e-03 -2.4082000000e-03  5.1359000000e-03 -4.7804000000e-03
+
+JOB 45
+COORDS  5.1328100000e-01  1.3340490000e+00  1.0214090000e+00  1.0311930000e+00  1.5646710000e+00  2.5016800000e-01  1.1477470000e+00  9.6224200000e-01  1.6341440000e+00 -5.2652800000e-01 -1.3056980000e+00 -1.0229650000e+00 -9.9598000000e-01 -1.9881070000e+00 -1.5027190000e+00 -1.1484280000e+00 -1.0080480000e+00 -3.5898000000e-01
+ENERGY -1.526564118805e+02
+FORCES  5.6261000000e-03 -1.1239000000e-03 -1.8432000000e-03 -1.7902000000e-03  2.3530000000e-04  3.9347000000e-03 -2.6605000000e-03  1.7532000000e-03 -2.0704000000e-03 -4.6350000000e-03 -4.7660000000e-04  1.8615000000e-03  1.9413000000e-03  2.8398000000e-03  2.0588000000e-03  1.5182000000e-03 -3.2277000000e-03 -3.9413000000e-03
+
+JOB 46
+COORDS -1.4275580000e+00 -8.6066900000e-01  7.0650000000e-01 -1.6298320000e+00  4.1701000000e-02  4.5942500000e-01 -1.0864910000e+00 -1.2581570000e+00 -9.4692000000e-02  1.4161370000e+00  8.0561900000e-01 -6.0121600000e-01  7.4050000000e-01  1.2118820000e+00 -1.1440750000e+00  2.2282080000e+00  9.3661400000e-01 -1.0907180000e+00
+ENERGY -1.526533945930e+02
+FORCES  3.2696000000e-03  2.4787000000e-03 -3.9565000000e-03 -1.3370000000e-04 -3.2960000000e-03  3.1240000000e-04 -3.0884000000e-03  1.1460000000e-03  2.7318000000e-03  1.9178000000e-03  2.9721000000e-03 -3.9104000000e-03  1.7037000000e-03 -2.5522000000e-03  2.6483000000e-03 -3.6691000000e-03 -7.4860000000e-04  2.1744000000e-03
+
+JOB 47
+COORDS -3.4357200000e-01  3.5197000000e-02  1.7161500000e+00 -6.2138800000e-01  9.5087400000e-01  1.6919310000e+00 -8.6246400000e-01 -3.5449400000e-01  2.4198010000e+00  3.4183700000e-01 -7.6121000000e-02 -1.7067340000e+00  3.9476900000e-01 -4.8995600000e-01 -2.5682280000e+00  1.0958300000e+00  5.1279400000e-01 -1.6766550000e+00
+ENERGY -1.526525120713e+02
+FORCES -3.9563000000e-03  1.9841000000e-03  1.4835000000e-03  1.6577000000e-03 -3.3977000000e-03  7.0310000000e-04  2.2197000000e-03  1.4436000000e-03 -2.8912000000e-03  3.9163000000e-03  2.8090000000e-04 -2.4499000000e-03 -4.5540000000e-04  1.5676000000e-03  3.7452000000e-03 -3.3819000000e-03 -1.8785000000e-03 -5.9070000000e-04
+
+JOB 48
+COORDS  1.7368390000e+00  4.3822800000e-01 -4.2563800000e-01  7.8307500000e-01  3.9127100000e-01 -3.5960000000e-01  1.9433010000e+00 -1.3792000000e-02 -1.2437350000e+00 -1.6637560000e+00 -3.4336900000e-01  4.7641600000e-01 -2.2533490000e+00 -6.4722200000e-01 -2.1371700000e-01 -1.5529170000e+00 -1.1025130000e+00  1.0488200000e+00
+ENERGY -1.526583665975e+02
+FORCES -4.9554000000e-03 -1.7109000000e-03 -2.0750000000e-03  7.6768000000e-03  7.6830000000e-04 -1.9713000000e-03 -7.4200000000e-04  1.4986000000e-03  2.9413000000e-03 -4.4262000000e-03 -5.1087000000e-03  1.3518000000e-03  3.1644000000e-03  1.2378000000e-03  2.8107000000e-03 -7.1760000000e-04  3.3149000000e-03 -3.0575000000e-03
+
+JOB 49
+COORDS -8.9341000000e-01  7.9399000000e-01 -1.3496880000e+00 -2.4211200000e-01  1.2658800000e-01 -1.5655980000e+00 -7.3513000000e-01  1.4966090000e+00 -1.9801690000e+00  8.1311300000e-01 -8.2752100000e-01  1.4538810000e+00  4.2429300000e-01 -3.5743600000e-01  7.1626900000e-01  1.7567720000e+00 -7.7164900000e-01  1.3034860000e+00
+ENERGY -1.526552325878e+02
+FORCES  1.5697000000e-03  1.5321000000e-03 -6.1009000000e-03 -1.8246000000e-03  3.3443000000e-03  4.0220000000e-03 -7.6260000000e-04 -3.4275000000e-03  2.5447000000e-03  1.0214000000e-03  3.5890000000e-03 -2.6933000000e-03  3.8750000000e-03 -4.6745000000e-03  2.1580000000e-03 -3.8788000000e-03 -3.6340000000e-04  6.9400000000e-05
+
+JOB 50
+COORDS  1.5735000000e-02  1.4722820000e+00 -1.1203770000e+00 -6.5488700000e-01  1.8670350000e+00 -5.6300000000e-01 -4.4208100000e-01  7.7452000000e-01 -1.5891680000e+00  4.6503000000e-02 -1.4832560000e+00  1.0665170000e+00 -2.5294000000e-02 -5.3743700000e-01  1.1949870000e+00  1.9667900000e-01 -1.8339730000e+00  1.9443990000e+00
+ENERGY -1.526555637273e+02
+FORCES -4.5990000000e-03 -1.1586000000e-03 -2.1091000000e-03  3.3722000000e-03 -2.4649000000e-03 -1.1035000000e-03  1.7392000000e-03  3.8938000000e-03  2.2184000000e-03  1.6425000000e-03  2.8911000000e-03  3.7576000000e-03 -1.4954000000e-03 -4.7881000000e-03  7.5310000000e-04 -6.5950000000e-04  1.6268000000e-03 -3.5164000000e-03
+
+JOB 51
+COORDS  1.1299420000e+00 -1.4219470000e+00 -7.0393800000e-01  1.2479730000e+00 -8.0086000000e-01 -1.4226530000e+00  2.1729200000e-01 -1.3103550000e+00 -4.3776400000e-01 -1.0626210000e+00  1.4035530000e+00  6.7870700000e-01 -1.9844660000e+00  1.2755120000e+00  9.0240200000e-01 -5.8342700000e-01  1.0813080000e+00  1.4420960000e+00
+ENERGY -1.526564351744e+02
+FORCES -4.0023000000e-03  4.4377000000e-03 -2.3155000000e-03  2.7420000000e-04 -3.1742000000e-03  2.3896000000e-03  4.0843000000e-03 -2.2589000000e-03 -4.1390000000e-04 -1.7627000000e-03  1.1500000000e-04  5.2425000000e-03  4.1234000000e-03 -2.9700000000e-05 -1.1999000000e-03 -2.7168000000e-03  9.1010000000e-04 -3.7028000000e-03
+
+JOB 52
+COORDS  1.4404290000e+00 -6.4454200000e-01 -1.0715670000e+00  1.9326640000e+00 -6.1740400000e-01 -1.8920540000e+00  5.6950600000e-01 -3.2210100000e-01 -1.3034190000e+00 -1.3755040000e+00  5.7071200000e-01  1.1476260000e+00 -1.1504670000e+00  1.4926630000e+00  1.0227380000e+00 -2.3305610000e+00  5.4663300000e-01  1.0883150000e+00
+ENERGY -1.526546724112e+02
+FORCES -2.6616000000e-03  1.0713000000e-03 -3.3165000000e-03 -2.0551000000e-03  2.5600000000e-05  3.4221000000e-03  4.8269000000e-03 -1.0462000000e-03 -9.4290000000e-04 -3.0889000000e-03  4.0123000000e-03  1.1772000000e-03 -1.2595000000e-03 -4.1044000000e-03 -2.0690000000e-04  4.2382000000e-03  4.1400000000e-05 -1.3300000000e-04
+
+JOB 53
+COORDS -1.4387030000e+00 -1.4332750000e+00 -8.4070000000e-02 -2.0990580000e+00 -1.0889350000e+00 -6.8539700000e-01 -1.0404310000e+00 -6.5522200000e-01  3.0611500000e-01  1.3894650000e+00  1.3929440000e+00  1.1138800000e-01  1.6985400000e+00  8.2442500000e-01 -5.9394200000e-01  2.1719840000e+00  1.5783260000e+00  6.3055000000e-01
+ENERGY -1.526569690290e+02
+FORCES -9.3660000000e-04  5.3869000000e-03 -9.8900000000e-05  2.5821000000e-03 -1.5725000000e-03  2.1241000000e-03 -2.7202000000e-03 -4.8134000000e-03 -2.1121000000e-03  5.8821000000e-03 -8.7430000000e-04 -7.8880000000e-04 -1.6705000000e-03  2.6083000000e-03  3.2562000000e-03 -3.1370000000e-03 -7.3500000000e-04 -2.3805000000e-03
+
+JOB 54
+COORDS  1.5938620000e+00  1.1773480000e+00 -6.1180000000e-01  2.1701790000e+00  4.3986700000e-01 -8.1232900000e-01  7.1855600000e-01  7.9257700000e-01 -5.6680400000e-01 -1.5758980000e+00 -1.1154480000e+00  5.6441000000e-01 -1.2384130000e+00 -5.4908700000e-01  1.2583640000e+00 -2.0605370000e+00 -1.7990810000e+00  1.0270150000e+00
+ENERGY -1.526560627034e+02
+FORCES -1.6755000000e-03 -5.2113000000e-03 -1.6784000000e-03 -1.8483000000e-03  3.2013000000e-03  9.4960000000e-04  4.3168000000e-03  2.7775000000e-03  9.9500000000e-04 -1.9841000000e-03 -1.5203000000e-03  5.4483000000e-03 -8.1380000000e-04 -2.1803000000e-03 -4.0080000000e-03  2.0049000000e-03  2.9332000000e-03 -1.7065000000e-03
+
+JOB 55
+COORDS -1.6017560000e+00 -1.1684340000e+00 -4.4906500000e-01 -2.4244320000e+00 -1.6544720000e+00 -3.9247100000e-01 -1.8248490000e+00 -2.8429500000e-01 -1.5793000000e-01  1.6104980000e+00  1.1545090000e+00  4.4365800000e-01  1.9187970000e+00  4.5034000000e-01 -1.2671700000e-01  2.4023600000e+00  1.6398560000e+00  6.7522600000e-01
+ENERGY -1.526554795892e+02
+FORCES -4.0311000000e-03  2.2682000000e-03  1.9509000000e-03  3.2540000000e-03  1.9368000000e-03 -2.3760000000e-04 -4.9300000000e-05 -4.2662000000e-03 -1.6781000000e-03  4.5310000000e-03 -1.6479000000e-03 -1.5606000000e-03 -5.3590000000e-04  3.6694000000e-03  2.4506000000e-03 -3.1687000000e-03 -1.9603000000e-03 -9.2520000000e-04
+
+JOB 56
+COORDS  1.9716140000e+00  7.8947200000e-01  4.3537000000e-02  2.8045160000e+00  3.9772000000e-01 -2.1921100000e-01  1.5563360000e+00  1.2455800000e-01  5.9277700000e-01 -1.9965770000e+00 -7.3798600000e-01  1.0643000000e-02 -2.5100390000e+00 -1.2285000000e-01 -5.1299500000e-01 -1.4725270000e+00 -1.2191320000e+00 -6.2975000000e-01
+ENERGY -1.526550531031e+02
+FORCES  1.3365000000e-03 -3.9682000000e-03  2.0900000000e-03 -3.5633000000e-03  1.4531000000e-03  8.5200000000e-04  2.7537000000e-03  2.4718000000e-03 -2.8639000000e-03 -3.8030000000e-04  1.3775000000e-03 -5.3509000000e-03  1.7094000000e-03 -2.8927000000e-03  2.1330000000e-03 -1.8559000000e-03  1.5584000000e-03  3.1399000000e-03
+
+JOB 57
+COORDS -2.6964500000e-01  7.2884200000e-01 -2.0742800000e+00 -3.0932000000e-02 -1.8530300000e-01 -1.9207000000e+00 -7.8967800000e-01  9.7296600000e-01 -1.3086420000e+00  3.2392800000e-01 -6.3820800000e-01  2.0093850000e+00  2.0643700000e-01 -1.4273950000e+00  1.4806020000e+00 -2.7689500000e-01 -7.5118300000e-01  2.7459170000e+00
+ENERGY -1.526543782248e+02
+FORCES -5.3630000000e-04 -2.2103000000e-03  4.7786000000e-03 -1.1813000000e-03  3.0723000000e-03 -9.3520000000e-04  1.4246000000e-03 -1.0766000000e-03 -4.0428000000e-03 -2.2929000000e-03 -4.1196000000e-03  2.2109000000e-03  1.2510000000e-04  3.7927000000e-03  1.3382000000e-03  2.4608000000e-03  5.4150000000e-04 -3.3497000000e-03
+
+JOB 58
+COORDS -1.2369210000e+00 -1.1547060000e+00 -1.2717200000e+00 -2.1109730000e+00 -1.0721930000e+00 -1.6531090000e+00 -1.3454350000e+00 -1.7812830000e+00 -5.5627800000e-01  1.2338950000e+00  1.1586190000e+00  1.2445340000e+00  1.8426780000e+00  1.2986510000e+00  5.1927100000e-01  1.6867490000e+00  1.5129150000e+00  2.0097980000e+00
+ENERGY -1.526539479085e+02
+FORCES -3.8664000000e-03 -1.7342000000e-03  2.4140000000e-03  3.5384000000e-03 -3.8240000000e-04  1.3595000000e-03  1.2290000000e-04  1.9494000000e-03 -3.4461000000e-03  4.2417000000e-03  1.9577000000e-03 -8.2410000000e-04 -2.0030000000e-03 -2.3010000000e-04  3.5264000000e-03 -2.0336000000e-03 -1.5603000000e-03 -3.0297000000e-03
+
+JOB 59
+COORDS -1.6966280000e+00 -1.2830970000e+00  9.1036000000e-02 -1.1303890000e+00 -1.9390510000e+00  4.9764200000e-01 -2.1876850000e+00 -1.7679660000e+00 -5.7228800000e-01  1.6647680000e+00  1.3797590000e+00 -1.2942800000e-01  1.1533320000e+00  9.3460000000e-01  5.4621900000e-01  2.5762610000e+00  1.2164780000e+00  1.1295900000e-01
+ENERGY -1.526543705816e+02
+FORCES -2.9520000000e-04 -4.8572000000e-03 -2.1384000000e-03 -1.8997000000e-03  3.1965000000e-03 -1.2772000000e-03  1.8868000000e-03  1.7150000000e-03  3.0126000000e-03  5.0360000000e-04 -2.4851000000e-03  3.6657000000e-03  3.4732000000e-03  1.9652000000e-03 -2.2400000000e-03 -3.6686000000e-03  4.6550000000e-04 -1.0228000000e-03
+
+JOB 60
+COORDS -5.6020000000e-03 -1.5661900000e-01  2.1106430000e+00  9.3857600000e-01 -2.4656200000e-01  1.9815320000e+00 -1.0389200000e-01  2.3507000000e-02  3.0455900000e+00 -9.2267000000e-02  1.3846600000e-01 -2.2128040000e+00 -1.4047300000e-01  7.9752900000e-01 -1.5203130000e+00  7.3208700000e-01 -3.2019400000e-01 -2.0506240000e+00
+ENERGY -1.526544578518e+02
+FORCES  3.0252000000e-03 -1.7360000000e-04  4.3681000000e-03 -3.9010000000e-03  7.3430000000e-04 -2.1360000000e-04  5.4320000000e-04 -7.6000000000e-04 -3.9610000000e-03  2.3464000000e-03  5.7340000000e-04  4.5427000000e-03  8.3630000000e-04 -2.2501000000e-03 -3.8850000000e-03 -2.8501000000e-03  1.8760000000e-03 -8.5120000000e-04
+
+JOB 61
+COORDS -2.1420400000e-01 -2.0231700000e+00 -9.3026300000e-01  6.9863200000e-01 -2.0354420000e+00 -6.4249200000e-01 -5.9994100000e-01 -2.8066460000e+00 -5.3833800000e-01  2.0045200000e-01  2.0669750000e+00  9.5512600000e-01 -4.7232800000e-01  1.5328720000e+00  5.3283300000e-01  5.9930100000e-01  2.5610090000e+00  2.3882800000e-01
+ENERGY -1.526556764191e+02
+FORCES  2.4439000000e-03 -3.9105000000e-03  2.8550000000e-03 -3.9368000000e-03  2.3200000000e-05 -1.4426000000e-03  1.5831000000e-03  3.2336000000e-03 -1.6497000000e-03 -1.6128000000e-03 -5.7320000000e-04 -5.0030000000e-03  2.8768000000e-03  3.0801000000e-03  2.2728000000e-03 -1.3541000000e-03 -1.8532000000e-03  2.9676000000e-03
+
+JOB 62
+COORDS  1.7624870000e+00  1.2418940000e+00 -5.0148900000e-01  1.6742670000e+00  2.1950200000e+00 -5.0160000000e-01  2.7033720000e+00  1.0879580000e+00 -5.8676000000e-01 -1.7583500000e+00 -1.2553830000e+00  4.9015400000e-01 -2.0608500000e+00 -2.1058280000e+00  1.7161200000e-01 -2.4296380000e+00 -9.8040600000e-01  1.1146470000e+00
+ENERGY -1.526526571863e+02
+FORCES  3.1076000000e-03  3.0557000000e-03 -2.1480000000e-04  4.1670000000e-04 -3.8370000000e-03  1.5000000000e-05 -3.8505000000e-03  5.7960000000e-04  2.9740000000e-04 -3.6193000000e-03 -2.1664000000e-03  1.1333000000e-03  1.2483000000e-03  3.4477000000e-03  1.3286000000e-03  2.6971000000e-03 -1.0796000000e-03 -2.5595000000e-03
+
+JOB 63
+COORDS  1.9012100000e-01 -1.5997910000e+00 -1.5855410000e+00  5.3108900000e-01 -1.6216150000e+00 -2.4796870000e+00 -7.5010200000e-01 -1.4543570000e+00 -1.6907190000e+00 -1.3628100000e-01  1.6065900000e+00  1.5732690000e+00  1.2517300000e-01  2.0254550000e+00  2.3932850000e+00 -8.0972100000e-01  9.7654100000e-01  1.8296830000e+00
+ENERGY -1.526535043057e+02
+FORCES -2.1247000000e-03  1.3414000000e-03 -4.1348000000e-03 -1.4169000000e-03 -1.6430000000e-04  3.5706000000e-03  3.5937000000e-03 -9.5130000000e-04  6.4050000000e-04 -1.2282000000e-03 -1.5653000000e-03  4.2807000000e-03 -1.0693000000e-03 -1.5895000000e-03 -3.3701000000e-03  2.2454000000e-03  2.9291000000e-03 -9.8690000000e-04
+
+JOB 64
+COORDS -6.3872800000e-01 -2.1192050000e+00  8.1958400000e-01 -3.4524300000e-01 -2.6672630000e+00  9.1758000000e-02  1.1926800000e-01 -1.5739750000e+00  1.0302920000e+00  5.8208300000e-01  2.0542890000e+00 -7.7931600000e-01  8.8344900000e-01  2.7814100000e+00 -2.3460900000e-01  1.1476400000e-01  2.4733940000e+00 -1.5019470000e+00
+ENERGY -1.526548147724e+02
+FORCES  4.4894000000e-03  1.1419000000e-03 -2.6481000000e-03 -1.2913000000e-03  1.7501000000e-03  2.9553000000e-03 -2.9652000000e-03 -3.1556000000e-03 -9.2200000000e-05 -1.3026000000e-03  4.9260000000e-03 -9.3350000000e-04 -1.0953000000e-03 -3.1129000000e-03 -2.1758000000e-03  2.1651000000e-03 -1.5496000000e-03  2.8943000000e-03
+
+JOB 65
+COORDS  1.4217570000e+00 -1.9070900000e+00  2.4506600000e-01  6.5408100000e-01 -1.9635440000e+00 -3.2389700000e-01  2.0417110000e+00 -1.3638790000e+00 -2.4156600000e-01 -1.3535260000e+00  1.8661820000e+00 -1.3484200000e-01 -1.3623790000e+00  2.3024860000e+00 -9.8677600000e-01 -2.2630870000e+00  1.6060950000e+00  1.1051000000e-02
+ENERGY -1.526541521889e+02
+FORCES -1.1267000000e-03  3.1860000000e-03 -4.0272000000e-03  3.1969000000e-03 -5.9390000000e-04  2.0300000000e-03 -2.0598000000e-03 -2.6516000000e-03  1.7297000000e-03 -4.1030000000e-03  1.2000000000e-03 -2.2889000000e-03  2.6540000000e-04 -2.1118000000e-03  3.4123000000e-03  3.8273000000e-03  9.7130000000e-04 -8.5600000000e-04
+
+JOB 66
+COORDS -9.1142100000e-01  1.8221720000e+00  1.5150800000e+00 -9.3347400000e-01  1.0462730000e+00  9.5496700000e-01 -1.6659550000e+00  1.7208360000e+00  2.0952880000e+00  9.6928600000e-01 -1.8256240000e+00 -1.4734430000e+00  6.8543600000e-01 -9.3804800000e-01 -1.2546480000e+00  1.0026170000e+00 -1.8379820000e+00 -2.4299820000e+00
+ENERGY -1.526537243717e+02
+FORCES -3.5074000000e-03 -3.6957000000e-03  8.3260000000e-04  6.3630000000e-04  3.2401000000e-03  1.3994000000e-03  3.1257000000e-03  5.5290000000e-04 -2.4687000000e-03 -3.0680000000e-04  3.5631000000e-03 -3.5268000000e-03  2.7410000000e-04 -3.6518000000e-03 -2.7570000000e-04 -2.2190000000e-04 -8.7000000000e-06  4.0392000000e-03
+
+JOB 67
+COORDS -1.3519610000e+00 -2.0771150000e+00 -2.7898100000e-01 -1.9163230000e+00 -1.9605080000e+00 -1.0432650000e+00 -1.9583280000e+00 -2.2245270000e+00  4.4684400000e-01  1.4441980000e+00  2.1112140000e+00  3.3073900000e-01  1.6494430000e+00  2.1872880000e+00 -6.0109700000e-01  7.8446300000e-01  1.4191280000e+00  3.7544500000e-01
+ENERGY -1.526551768096e+02
+FORCES -5.1679000000e-03 -1.1129000000e-03 -1.1160000000e-04  2.4948000000e-03 -1.7920000000e-04  3.2010000000e-03  2.5567000000e-03  8.2740000000e-04 -3.1034000000e-03 -1.8689000000e-03 -3.2958000000e-03 -3.5886000000e-03 -7.8140000000e-04  1.0100000000e-05  3.6231000000e-03  2.7667000000e-03  3.7506000000e-03 -2.0500000000e-05
+
+JOB 68
+COORDS -6.9990000000e-03 -2.4983760000e+00  7.4866100000e-01 -3.0176800000e-01 -1.7071650000e+00  2.9774100000e-01  7.8722500000e-01 -2.2296540000e+00  1.2104270000e+00  2.2768000000e-02  2.3844700000e+00 -7.2641400000e-01  3.0825500000e-01  3.2735680000e+00 -9.3673400000e-01 -9.2340500000e-01  2.3957490000e+00 -8.7084700000e-01
+ENERGY -1.526551542091e+02
+FORCES  2.3743000000e-03  4.9190000000e-03 -1.5300000000e-04  6.1410000000e-04 -3.7639000000e-03  1.8761000000e-03 -3.1457000000e-03 -1.4933000000e-03 -1.6226000000e-03 -2.5076000000e-03  4.3873000000e-03 -1.6630000000e-03 -1.2917000000e-03 -3.6213000000e-03  8.6230000000e-04  3.9565000000e-03 -4.2780000000e-04  7.0030000000e-04
+
+JOB 69
+COORDS -1.1199760000e+00  1.8734480000e+00 -1.5893800000e+00 -1.8346400000e-01  1.9322380000e+00 -1.4003790000e+00 -1.2890480000e+00  9.3521400000e-01 -1.6751930000e+00  1.0939860000e+00 -1.7662470000e+00  1.5297750000e+00  1.3540650000e+00 -2.6865980000e+00  1.5690950000e+00  5.1145400000e-01 -1.6492060000e+00  2.2802350000e+00
+ENERGY -1.526550617400e+02
+FORCES  3.5377000000e-03 -3.9846000000e-03  7.3640000000e-04 -3.8978000000e-03  2.2320000000e-04 -1.0224000000e-03  2.3920000000e-04  3.9503000000e-03  4.9700000000e-05 -1.1455000000e-03 -3.4328000000e-03  3.6626000000e-03 -1.1333000000e-03  3.7942000000e-03 -2.1050000000e-04  2.3996000000e-03 -5.5030000000e-04 -3.2159000000e-03
+
+JOB 70
+COORDS -1.5297320000e+00 -9.3879300000e-01 -1.9722750000e+00 -1.3299350000e+00 -1.8491520000e+00 -1.7541930000e+00 -2.2875420000e+00 -9.9227300000e-01 -2.5545950000e+00  1.6283420000e+00  9.8161000000e-01  1.9934630000e+00  9.6888600000e-01  5.1225300000e-01  2.5043970000e+00  1.1238180000e+00  1.5795860000e+00  1.4419990000e+00
+ENERGY -1.526545939877e+02
+FORCES -2.0748000000e-03 -4.1415000000e-03 -1.7916000000e-03 -1.0261000000e-03  3.7689000000e-03 -8.0110000000e-04  3.0760000000e-03  2.4350000000e-04  2.4513000000e-03 -5.0473000000e-03  4.7560000000e-04 -7.5620000000e-04  2.7895000000e-03  1.7972000000e-03 -1.7672000000e-03  2.2826000000e-03 -2.1437000000e-03  2.6648000000e-03
+
+JOB 71
+COORDS  1.3771540000e+00 -9.5043600000e-01 -2.1553330000e+00  1.1013200000e+00 -1.4889450000e+00 -1.4136090000e+00  8.5811900000e-01 -1.2728520000e+00 -2.8921390000e+00 -1.2872930000e+00  1.0407290000e+00  2.2070200000e+00 -1.1274640000e+00  1.6007200000e-01  1.8677130000e+00 -1.9866720000e+00  1.3879620000e+00  1.6533680000e+00
+ENERGY -1.526536015484e+02
+FORCES -2.7817000000e-03 -3.6127000000e-03 -2.2430000000e-04  7.2420000000e-04  2.3467000000e-03 -2.8558000000e-03  2.0131000000e-03  1.3928000000e-03  3.1818000000e-03 -2.0278000000e-03 -1.8149000000e-03 -3.8691000000e-03 -6.5980000000e-04  3.2489000000e-03  1.3805000000e-03  2.7320000000e-03 -1.5609000000e-03  2.3870000000e-03
+
+JOB 72
+COORDS -2.1719250000e+00  1.5385580000e+00 -1.3938430000e+00 -2.1195770000e+00  5.9962900000e-01 -1.5724600000e+00 -1.9641160000e+00  1.6176890000e+00 -4.6283000000e-01  2.1089010000e+00 -1.5290730000e+00  1.3854810000e+00  2.8857670000e+00 -1.1359190000e+00  1.7831500000e+00  2.1862620000e+00 -1.3238030000e+00  4.5375600000e-01
+ENERGY -1.526544969800e+02
+FORCES  7.9520000000e-04 -3.6027000000e-03  3.3309000000e-03 -5.3000000000e-05  3.8704000000e-03  5.2410000000e-04 -7.8730000000e-04 -1.6730000000e-04 -3.9704000000e-03  3.9448000000e-03  2.2884000000e-03 -2.0765000000e-03 -3.2493000000e-03 -1.5939000000e-03 -1.6445000000e-03 -6.5040000000e-04 -7.9490000000e-04  3.8363000000e-03
+
+JOB 73
+COORDS  1.5813610000e+00  2.5274860000e+00 -5.7292000000e-02  2.3023550000e+00  2.8875410000e+00  4.5919500000e-01  1.0496600000e+00  2.0455360000e+00  5.7615100000e-01 -1.6264210000e+00 -2.5626770000e+00 -1.1853000000e-02 -1.7052060000e+00 -1.6257780000e+00 -1.9142300000e-01 -7.6741100000e-01 -2.6567230000e+00  3.9983700000e-01
+ENERGY -1.526538690797e+02
+FORCES  1.0512000000e-03  1.3000000000e-06  4.7604000000e-03 -3.0271000000e-03 -1.5750000000e-03 -2.1223000000e-03  1.9731000000e-03  1.5123000000e-03 -2.7758000000e-03  3.2098000000e-03  3.3094000000e-03  5.0460000000e-04  3.5530000000e-04 -3.7749000000e-03  1.1011000000e-03 -3.5624000000e-03  5.2690000000e-04 -1.4680000000e-03
+
+JOB 74
+COORDS -7.2124800000e-01 -2.1580920000e+00  2.0325600000e+00  7.4652000000e-02 -1.7368280000e+00  2.3570760000e+00 -1.1891410000e+00 -2.4281090000e+00  2.8227500000e+00  6.8026400000e-01  2.1356390000e+00 -2.1567220000e+00  1.5393890000e+00  1.8586820000e+00 -1.8382410000e+00  3.4992500000e-01  2.7225280000e+00 -1.4765240000e+00
+ENERGY -1.526537386452e+02
+FORCES  1.2368000000e-03  4.7340000000e-04  4.4904000000e-03 -3.1851000000e-03 -1.5834000000e-03 -1.3453000000e-03  1.9438000000e-03  1.1493000000e-03 -3.2351000000e-03  1.9254000000e-03  9.8490000000e-04  4.1206000000e-03 -3.3935000000e-03  1.2371000000e-03 -1.2579000000e-03  1.4726000000e-03 -2.2612000000e-03 -2.7727000000e-03
+
+JOB 75
+COORDS -6.4723400000e-01 -3.0151420000e+00 -1.2374950000e+00 -6.4795800000e-01 -3.6370200000e+00 -5.0982700000e-01 -1.3684320000e+00 -2.4167430000e+00 -1.0424980000e+00  7.2638500000e-01  3.0102170000e+00  1.2176110000e+00  6.7509700000e-01  3.6274800000e+00  4.8782500000e-01 -1.1395400000e-01  2.5520970000e+00  1.2039570000e+00
+ENERGY -1.526538635168e+02
+FORCES -2.7838000000e-03 -2.3880000000e-04  3.8278000000e-03 -8.3400000000e-05  2.5655000000e-03 -3.0086000000e-03  2.8980000000e-03 -2.2739000000e-03 -7.9760000000e-04 -3.4628000000e-03  6.2850000000e-04 -3.1943000000e-03  1.3600000000e-04 -2.4885000000e-03  3.0453000000e-03  3.2960000000e-03  1.8072000000e-03  1.2750000000e-04
+
+JOB 76
+COORDS -2.0871880000e+00  2.4714200000e+00 -9.7623100000e-01 -1.7942160000e+00  3.3782000000e+00 -1.0665040000e+00 -1.2951160000e+00  1.9494340000e+00 -1.1042340000e+00  2.0640740000e+00 -2.4396230000e+00  1.0255910000e+00  1.6616890000e+00 -2.3220860000e+00  1.6506600000e-01  1.9432940000e+00 -3.3686100000e+00  1.2221290000e+00
+ENERGY -1.526540607466e+02
+FORCES  4.5046000000e-03  1.6998000000e-03 -6.6080000000e-04 -1.2330000000e-03 -3.7061000000e-03  2.9370000000e-04 -3.2747000000e-03  1.9663000000e-03  3.3180000000e-04 -2.1924000000e-03 -3.5466000000e-03 -2.5453000000e-03  1.6543000000e-03 -2.2730000000e-04  3.4266000000e-03  5.4110000000e-04  3.8138000000e-03 -8.4590000000e-04
+
+JOB 77
+COORDS  2.3564550000e+00 -2.0050220000e+00 -1.3563200000e+00  1.6500560000e+00 -1.3986770000e+00 -1.5789790000e+00  2.7887730000e+00 -2.1866500000e+00 -2.1907930000e+00 -2.3346570000e+00  2.0246510000e+00  1.4633420000e+00 -2.7366340000e+00  2.1362930000e+00  6.0184200000e-01 -2.0687770000e+00  1.1054180000e+00  1.4868040000e+00
+ENERGY -1.526539366694e+02
+FORCES -8.3100000000e-04  1.7613000000e-03 -4.3977000000e-03  2.6392000000e-03 -2.5162000000e-03  1.0165000000e-03 -1.8369000000e-03  7.4040000000e-04  3.4216000000e-03 -6.3580000000e-04 -3.3188000000e-03 -3.1572000000e-03  1.7514000000e-03 -4.9240000000e-04  3.4242000000e-03 -1.0869000000e-03  3.8258000000e-03 -3.0730000000e-04
+
+JOB 78
+COORDS -1.3474830000e+00 -5.9302300000e-01  3.1173690000e+00 -5.4987500000e-01 -4.3031400000e-01  2.6138020000e+00 -1.9243330000e+00  1.3808100000e-01  2.8960930000e+00  1.2993660000e+00  5.9902900000e-01 -3.0752840000e+00  1.7959730000e+00  1.9808500000e-01 -2.3619420000e+00  1.4338520000e+00  1.3182000000e-02 -3.8202200000e+00
+ENERGY -1.526541685418e+02
+FORCES  7.5070000000e-04  3.7803000000e-03 -3.0442000000e-03 -3.0859000000e-03 -7.8890000000e-04  2.0644000000e-03  2.3691000000e-03 -3.0213000000e-03  1.0028000000e-03  2.6599000000e-03 -4.1015000000e-03 -4.4560000000e-04 -2.1600000000e-03  1.7122000000e-03 -2.6716000000e-03 -5.3390000000e-04  2.4192000000e-03  3.0943000000e-03
+
+JOB 79
+COORDS  3.2440330000e+00  6.9385700000e-01  1.1171990000e+00  3.1055640000e+00  1.3479030000e+00  1.8022400000e+00  4.0610670000e+00  2.5932800000e-01  1.3618850000e+00 -3.2952030000e+00 -6.7609900000e-01 -1.1160920000e+00 -2.4638480000e+00 -1.1162480000e+00 -1.2931530000e+00 -3.8107220000e+00 -8.0782300000e-01 -1.9117800000e+00
+ENERGY -1.526542424097e+02
+FORCES  2.6840000000e-03  1.0155000000e-03  3.8939000000e-03  6.6850000000e-04 -2.6941000000e-03 -2.8038000000e-03 -3.3290000000e-03  1.7300000000e-03 -1.0411000000e-03  1.5806000000e-03 -2.2539000000e-03 -3.9209000000e-03 -3.6249000000e-03  1.6763000000e-03  6.4410000000e-04  2.0210000000e-03  5.2620000000e-04  3.2278000000e-03
+
+JOB 80
+COORDS  3.5437050000e+00 -1.7261500000e-01  4.0499900000e-01  4.3771330000e+00 -5.5277700000e-01  1.2731800000e-01  2.8939020000e+00 -8.4610300000e-01  2.0400100000e-01 -3.5812020000e+00  2.4291600000e-01 -3.2649400000e-01 -3.4350710000e+00 -6.1678200000e-01 -7.2120400000e-01 -3.1726240000e+00  8.5882800000e-01 -9.3472800000e-01
+ENERGY -1.526539800274e+02
+FORCES  7.9450000000e-04 -4.3228000000e-03 -1.7597000000e-03 -3.4370000000e-03  1.5593000000e-03  1.0891000000e-03  2.6275000000e-03  2.7642000000e-03  6.6280000000e-04  2.2408000000e-03 -8.1640000000e-04 -4.0626000000e-03 -5.1910000000e-04  3.4398000000e-03  1.6260000000e-03 -1.7066000000e-03 -2.6240000000e-03  2.4442000000e-03
+
+JOB 81
+COORDS -1.7491240000e+00  7.7772100000e-01  3.4124260000e+00 -2.5001400000e+00  2.9110100000e-01  3.7521430000e+00 -1.6009670000e+00  4.1224200000e-01  2.5402410000e+00  1.8159140000e+00 -6.7399300000e-01 -3.3969340000e+00  1.7999180000e+00 -1.2412020000e+00 -2.6260580000e+00  1.2178470000e+00 -1.0931030000e+00 -4.0157180000e+00
+ENERGY -1.526539277925e+02
+FORCES -2.4815000000e-03 -3.3395000000e-03 -2.1833000000e-03  3.0896000000e-03  1.9492000000e-03 -1.4073000000e-03 -5.9230000000e-04  1.3610000000e-03  3.5751000000e-03 -2.3329000000e-03 -4.0344000000e-03  5.0550000000e-04 -7.5000000000e-05  2.3438000000e-03 -3.0925000000e-03  2.3922000000e-03  1.7198000000e-03  2.6025000000e-03
+
+JOB 82
+COORDS  3.7904810000e+00 -2.1019500000e-01 -1.6435250000e+00  4.3139800000e+00 -9.0697900000e-01 -2.0393430000e+00  4.0690950000e+00 -1.9128700000e-01 -7.2796600000e-01 -3.8266530000e+00  3.0704900000e-01  1.6345320000e+00 -4.2591220000e+00 -4.3681900000e-01  2.0538930000e+00 -3.6643280000e+00  1.5679000000e-02  7.3732100000e-01
+ENERGY -1.526541251056e+02
+FORCES  3.3076000000e-03 -2.6719000000e-03  2.1879000000e-03 -2.1691000000e-03  2.8141000000e-03  1.5975000000e-03 -1.1179000000e-03 -1.3200000000e-04 -3.7757000000e-03 -1.0183000000e-03 -4.1821000000e-03 -2.0654000000e-03  1.7553000000e-03  3.0207000000e-03 -1.6669000000e-03 -7.5760000000e-04  1.1512000000e-03  3.7226000000e-03
+
+JOB 83
+COORDS  3.5478340000e+00 -1.7852130000e+00 -1.4480500000e+00  2.7497200000e+00 -1.2787760000e+00 -1.2971630000e+00  4.1967210000e+00 -1.1355990000e+00 -1.7185680000e+00 -3.5535230000e+00  1.6853770000e+00  1.4888440000e+00 -4.0274000000e+00  2.4585850000e+00  1.1825410000e+00 -2.7317010000e+00  1.6976040000e+00  9.9824200000e-01
+ENERGY -1.526538758201e+02
+FORCES -5.5530000000e-04  4.6337000000e-03 -4.6200000000e-04  3.2176000000e-03 -1.9816000000e-03 -6.3310000000e-04 -2.6972000000e-03 -2.6268000000e-03  1.1038000000e-03  1.3001000000e-03  3.2235000000e-03 -3.2023000000e-03  1.9867000000e-03 -3.1710000000e-03  1.2369000000e-03 -3.2518000000e-03 -7.7800000000e-05  1.9568000000e-03
+
+JOB 84
+COORDS  1.8424650000e+00  3.3133360000e+00 -2.5131780000e+00  2.4627750000e+00  3.8537210000e+00 -3.0024950000e+00  1.4460290000e+00  3.9144080000e+00 -1.8824780000e+00 -1.8483990000e+00 -3.3755350000e+00  2.5746780000e+00 -2.6199080000e+00 -3.6196190000e+00  2.0633770000e+00 -1.1854920000e+00 -3.1573850000e+00  1.9195460000e+00
+ENERGY -1.526542287044e+02
+FORCES  9.4810000000e-04  4.7144000000e-03  5.8380000000e-04 -2.5374000000e-03 -2.2126000000e-03  1.9899000000e-03  1.6022000000e-03 -2.4792000000e-03 -2.5858000000e-03 -3.8580000000e-04 -6.2100000000e-05 -4.8290000000e-03  3.1055000000e-03  9.7320000000e-04  2.1159000000e-03 -2.7326000000e-03 -9.3370000000e-04  2.7253000000e-03
+
+JOB 85
+COORDS -3.9723080000e+00  2.5411040000e+00  4.3597000000e-01 -3.3660720000e+00  3.2666040000e+00  2.8644100000e-01 -3.5830060000e+00  2.0480100000e+00  1.1581430000e+00  3.9097560000e+00 -2.5907760000e+00 -5.1469100000e-01  3.7417630000e+00 -1.6546220000e+00 -4.0686500000e-01  4.2538300000e+00 -2.8720610000e+00  3.3308500000e-01
+ENERGY -1.526539582854e+02
+FORCES  4.0064000000e-03  9.2790000000e-04  2.3052000000e-03 -2.4410000000e-03 -2.9715000000e-03  6.3090000000e-04 -1.5474000000e-03  2.0354000000e-03 -2.9364000000e-03  7.5860000000e-04  2.6216000000e-03  3.8535000000e-03  6.5390000000e-04 -3.7936000000e-03 -4.0230000000e-04 -1.4305000000e-03  1.1802000000e-03 -3.4508000000e-03
+
+JOB 86
+COORDS  1.1632000000e+00 -4.5491230000e+00 -1.3742860000e+00  1.1970030000e+00 -4.3151960000e+00 -4.4672600000e-01  2.0757490000e+00 -4.5222460000e+00 -1.6619750000e+00 -1.1777570000e+00  4.4867720000e+00  1.3083730000e+00 -9.4312400000e-01  4.9353590000e+00  2.1207460000e+00 -2.0032270000e+00  4.8908530000e+00  1.0408860000e+00
+ENERGY -1.526540927859e+02
+FORCES  3.8318000000e-03  1.2189000000e-03  2.6217000000e-03 -1.1810000000e-04 -1.0497000000e-03 -3.7713000000e-03 -3.7020000000e-03 -1.7160000000e-04  1.1608000000e-03 -2.4623000000e-03  3.4830000000e-03  2.1735000000e-03 -9.3150000000e-04 -1.8480000000e-03 -3.3005000000e-03  3.3821000000e-03 -1.6325000000e-03  1.1158000000e-03
+
+JOB 87
+COORDS -2.8673300000e+00  4.2309000000e+00 -1.9769000000e-01 -3.7949340000e+00  3.9990890000e+00 -1.5246400000e-01 -2.6649260000e+00  4.2294070000e+00 -1.1332440000e+00  2.8974310000e+00 -4.2706590000e+00  2.8018000000e-01  3.4824020000e+00 -3.5630600000e+00  5.5100100000e-01  2.5036730000e+00 -3.9580360000e+00 -5.3434600000e-01
+ENERGY -1.526540957274e+02
+FORCES -3.0269000000e-03 -9.1140000000e-04 -3.5994000000e-03  3.8056000000e-03  9.3940000000e-04 -2.0400000000e-04 -7.8180000000e-04 -2.6300000000e-05  3.8116000000e-03  7.6350000000e-04  4.2179000000e-03 -2.1641000000e-03 -2.3642000000e-03 -2.9161000000e-03 -1.1306000000e-03  1.6038000000e-03 -1.3035000000e-03  3.2865000000e-03
+
+JOB 88
+COORDS -1.0858090000e+00  1.2416200000e+00  5.5019260000e+00 -9.6655700000e-01  1.5481190000e+00  4.6029990000e+00 -9.0188200000e-01  2.0091100000e+00  6.0435550000e+00  1.1248520000e+00 -1.3273920000e+00 -5.4980300000e+00  5.1704100000e-01 -1.4951180000e+00 -4.7778450000e+00  7.3845600000e-01 -5.9069200000e-01 -5.9715310000e+00
+ENERGY -1.526540527532e+02
+FORCES  1.2731000000e-03  4.3861000000e-03 -1.4131000000e-03 -5.1240000000e-04 -1.2599000000e-03  3.6356000000e-03 -7.6340000000e-04 -3.1302000000e-03 -2.2253000000e-03 -4.0672000000e-03  2.2697000000e-03  9.8430000000e-04  2.4873000000e-03  7.2120000000e-04 -2.9307000000e-03  1.5826000000e-03 -2.9869000000e-03  1.9492000000e-03
+
+JOB 89
+COORDS  4.7541730000e+00  4.0460980000e+00  7.1872000000e-01  5.1333960000e+00  4.6259420000e+00  5.8264000000e-02  5.3354840000e+00  3.2857620000e+00  7.3278100000e-01 -4.8559730000e+00 -4.0718440000e+00 -6.4718000000e-01 -5.0540830000e+00 -3.3013830000e+00 -1.1795090000e+00 -3.9064420000e+00 -4.1723280000e+00 -7.1446000000e-01
+ENERGY -1.526540926846e+02
+FORCES  3.9544000000e-03 -7.0110000000e-04 -2.6030000000e-03 -1.5615000000e-03 -2.3808000000e-03  2.6819000000e-03 -2.3934000000e-03  3.0854000000e-03 -7.4800000000e-05  3.0740000000e-03  2.7745000000e-03 -2.4160000000e-03  7.9920000000e-04 -3.1615000000e-03  2.1529000000e-03 -3.8727000000e-03  3.8350000000e-04  2.5900000000e-04
+
+JOB 0
+COORDS  2.6662700000e-01 -1.1084070000e+00 -6.8395600000e-01  4.1441300000e-01 -3.1653700000e-01 -1.2009990000e+00  1.1242250000e+00 -1.5315460000e+00 -6.4259500000e-01 -3.5507100000e-01  1.1426290000e+00  7.1818800000e-01 -5.5937400000e-01  3.8761700000e-01  1.6641800000e-01  4.8803800000e-01  9.2730200000e-01  1.1169780000e+00
+ENERGY -1.526538546948e+02
+FORCES  3.7751000000e-03  5.4060000000e-03  2.5330000000e-03 -4.4437000000e-03 -2.1271000000e-03  7.4421000000e-03 -3.5425000000e-03  3.0148000000e-03 -4.0180000000e-04  4.7932000000e-03 -1.4870400000e-02 -1.1972000000e-03  4.9860000000e-04  5.8208000000e-03 -7.3563000000e-03 -1.0806000000e-03  2.7558000000e-03 -1.0199000000e-03
+
+JOB 1
+COORDS -4.9507200000e-01  1.1269840000e+00  5.6003000000e-01 -9.0870000000e-02  1.4557740000e+00 -2.4293300000e-01  2.1141100000e-01  1.1368680000e+00  1.2057980000e+00  4.2112900000e-01 -1.1952320000e+00 -5.8694400000e-01  1.2548940000e+00 -1.1894880000e+00 -1.1680100000e-01  3.5024000000e-02 -3.3926300000e-01 -4.0128200000e-01
+ENERGY -1.526527731890e+02
+FORCES  5.6850000000e-03 -1.4859000000e-03  1.0047000000e-03 -1.4736000000e-03 -1.0358800000e-02  3.2982000000e-03 -2.9600000000e-03 -1.3529000000e-03 -4.7835000000e-03 -4.8310000000e-03  1.1076700000e-02  9.5244000000e-03 -2.6715000000e-03  1.3086000000e-03 -1.0459000000e-03  6.2511000000e-03  8.1240000000e-04 -7.9980000000e-03
+
+JOB 2
+COORDS  1.1825660000e+00 -6.4774900000e-01  3.5277000000e-01  9.3790400000e-01 -1.5410870000e+00  1.1127600000e-01  4.6265400000e-01 -1.0604600000e-01  2.9480000000e-02 -1.1077710000e+00  6.5929200000e-01 -3.8104900000e-01 -1.6774180000e+00  6.8933000000e-02  1.1211400000e-01 -8.8864100000e-01  1.3548730000e+00  2.3893500000e-01
+ENERGY -1.526581398542e+02
+FORCES -1.3565200000e-02  4.8335000000e-03 -8.1635000000e-03 -2.5770000000e-04  2.5058000000e-03  1.3027000000e-03  7.1737000000e-03 -1.3466000000e-03  7.4827000000e-03 -1.7990000000e-04 -1.5575000000e-03  5.6857000000e-03  4.8540000000e-03  2.2769000000e-03 -2.7209000000e-03  1.9751000000e-03 -6.7120000000e-03 -3.5866000000e-03
+
+JOB 3
+COORDS -3.3830000000e-01 -6.5791400000e-01  1.0915850000e+00 -5.5383000000e-02 -4.6302400000e-01  1.9850090000e+00 -1.2363320000e+00 -3.2958100000e-01  1.0472210000e+00  3.5148300000e-01  6.7565000000e-01 -1.1684870000e+00  9.2003200000e-01  1.7614000000e-02 -1.5684520000e+00  2.3902200000e-01  3.7871600000e-01 -2.6548400000e-01
+ENERGY -1.526599318497e+02
+FORCES -2.2677000000e-03  1.9082000000e-03 -1.1270000000e-03 -1.7145000000e-03 -1.7730000000e-04 -5.3512000000e-03  6.7921000000e-03 -1.2110000000e-04  7.2300000000e-05 -5.1700000000e-04 -1.0424300000e-02  1.2136000000e-02 -1.2586000000e-03  1.9490000000e-03  8.8450000000e-04 -1.0343000000e-03  6.8655000000e-03 -6.6146000000e-03
+
+JOB 4
+COORDS -6.5877000000e-02  8.3031100000e-01  1.1279380000e+00 -8.8743500000e-01  1.0534120000e+00  6.9033200000e-01 -3.1625100000e-01  1.9575400000e-01  1.7994150000e+00  1.1731700000e-01 -7.6572200000e-01 -1.1852930000e+00 -9.3631000000e-02 -6.5490000000e-01 -2.5822700000e-01  3.7137900000e-01 -1.6851080000e+00 -1.2653670000e+00
+ENERGY -1.526550492763e+02
+FORCES -3.3859000000e-03  2.6694000000e-03 -1.3870000000e-04  5.0664000000e-03 -4.4580000000e-03  1.8454000000e-03  1.8888000000e-03  4.2310000000e-04 -6.9874000000e-03  2.1942000000e-03  3.0093000000e-03  8.1491000000e-03 -4.8897000000e-03 -5.3773000000e-03 -5.1075000000e-03 -8.7360000000e-04  3.7335000000e-03  2.2391000000e-03
+
+JOB 5
+COORDS -3.5646600000e-01 -1.0055460000e+00 -8.9238300000e-01 -1.2607740000e+00 -1.3156940000e+00 -8.4477800000e-01 -2.8137200000e-01 -6.1765400000e-01 -1.7642390000e+00  4.4816500000e-01  1.0102200000e+00  9.8311300000e-01  4.1787600000e-01  3.4503200000e-01  2.9548100000e-01 -3.8896300000e-01  1.4686790000e+00  9.1056000000e-01
+ENERGY -1.526596634919e+02
+FORCES -4.2886000000e-03 -2.2540000000e-04 -6.2610000000e-04  4.1585000000e-03  1.8883000000e-03 -1.5750000000e-03 -5.1520000000e-04 -6.0900000000e-04  5.6887000000e-03 -6.0848000000e-03 -7.7790000000e-03 -7.3782000000e-03  4.5300000000e-03  7.4821000000e-03  3.4641000000e-03  2.2002000000e-03 -7.5700000000e-04  4.2650000000e-04
+
+JOB 6
+COORDS  9.1099000000e-01  1.0753880000e+00 -4.6320500000e-01  6.9690100000e-01  1.4879270000e+00  3.7358000000e-01  7.4573300000e-01  1.4341800000e-01 -3.2054200000e-01 -8.4090100000e-01 -1.0096840000e+00  4.4154700000e-01 -9.0599600000e-01 -1.9447780000e+00  2.4765600000e-01 -1.6378350000e+00 -6.3149100000e-01  6.9932000000e-02
+ENERGY -1.526598550438e+02
+FORCES -5.6754000000e-03 -7.7687000000e-03  7.0359000000e-03  6.0000000000e-04  3.9540000000e-04 -3.0505000000e-03  5.2696000000e-03  4.6714000000e-03 -3.8399000000e-03 -4.4269000000e-03  5.7630000000e-04 -2.5295000000e-03  7.8020000000e-04  4.9230000000e-03 -4.0000000000e-07  3.4524000000e-03 -2.7974000000e-03  2.3844000000e-03
+
+JOB 7
+COORDS  9.7818500000e-01  4.0078400000e-01  9.3954200000e-01  1.9290140000e+00  2.9235200000e-01  9.1960900000e-01  6.6234000000e-01 -3.4427600000e-01  1.4507750000e+00 -1.0727300000e+00 -3.5747000000e-01 -9.9050100000e-01 -5.4233200000e-01 -1.1355600000e+00 -8.1878600000e-01 -5.1474000000e-01  3.7551000000e-01 -7.3046400000e-01
+ENERGY -1.526581767220e+02
+FORCES  9.5870000000e-04 -3.3974000000e-03  2.8274000000e-03 -4.8172000000e-03 -4.3990000000e-04 -2.8030000000e-04  2.3792000000e-03  2.6717000000e-03 -3.4638000000e-03  9.6131000000e-03  2.3496000000e-03  5.1670000000e-03 -2.6542000000e-03  3.7910000000e-04  1.1000000000e-05 -5.4796000000e-03 -1.5631000000e-03 -4.2614000000e-03
+
+JOB 8
+COORDS -1.3972380000e+00 -1.7820100000e-01 -3.6620400000e-01 -7.3186900000e-01  3.2198100000e-01  1.0637700000e-01 -2.1569260000e+00 -1.7708100000e-01  2.1612300000e-01  1.3398390000e+00  1.4668300000e-01  3.3336600000e-01  1.7152690000e+00 -3.7236900000e-01 -3.7787800000e-01  2.0486120000e+00  7.2993800000e-01  6.0482100000e-01
+ENERGY -1.526602515991e+02
+FORCES  5.7674000000e-03  1.9959000000e-03  4.7504000000e-03 -9.0508000000e-03 -6.9840000000e-04 -2.2915000000e-03  3.3543000000e-03  5.0860000000e-04 -1.2586000000e-03  2.9658000000e-03 -2.3108000000e-03 -3.6935000000e-03  1.9610000000e-04  3.2896000000e-03  3.9105000000e-03 -3.2327000000e-03 -2.7849000000e-03 -1.4173000000e-03
+
+JOB 9
+COORDS -9.5527300000e-01  7.6511000000e-01 -7.1739700000e-01 -1.8044100000e-01  7.0904300000e-01 -1.2766150000e+00 -1.6926120000e+00  7.6023700000e-01 -1.3277580000e+00  9.7665200000e-01 -7.8832600000e-01  8.3829600000e-01  1.1916150000e+00 -9.3177600000e-01 -8.3357000000e-02  2.6723400000e-01 -1.4591100000e-01  8.2208900000e-01
+ENERGY -1.526565870696e+02
+FORCES -9.5890000000e-04 -7.2030000000e-04 -4.2644000000e-03 -2.5584000000e-03 -1.8218000000e-03  4.1267000000e-03  4.1607000000e-03  6.6200000000e-05  1.8305000000e-03 -7.4424000000e-03  3.1706000000e-03 -5.1988000000e-03  2.1450000000e-04  1.6281000000e-03  1.6201000000e-03  6.5846000000e-03 -2.3227000000e-03  1.8858000000e-03
+
+JOB 10
+COORDS -2.0929700000e-01 -5.9215200000e-01  1.3739700000e+00  3.1684500000e-01 -1.9125600000e-01  6.8209600000e-01 -4.8157700000e-01 -1.4348250000e+00  1.0106570000e+00  1.8853200000e-01  6.3264000000e-01 -1.2406540000e+00  7.0294000000e-02 -2.0625500000e-01 -1.6861940000e+00  3.9357400000e-01  1.2503420000e+00 -1.9425330000e+00
+ENERGY -1.526572924534e+02
+FORCES  1.0388000000e-03  2.7390000000e-03 -8.0051000000e-03 -9.6510000000e-04 -5.9490000000e-03  5.5900000000e-03  1.0364000000e-03  2.7635000000e-03  3.0950000000e-04 -8.0750000000e-04  6.7860000000e-04 -4.1357000000e-03  1.3751000000e-03  3.2708000000e-03  3.7548000000e-03 -1.6777000000e-03 -3.5030000000e-03  2.4865000000e-03
+
+JOB 11
+COORDS  9.3634900000e-01 -9.1770600000e-01  5.8246400000e-01  1.3203220000e+00 -4.8506800000e-01  1.3451050000e+00  1.6879480000e+00 -1.2472540000e+00  8.9788000000e-02 -1.0045210000e+00  9.1743700000e-01 -6.6501300000e-01 -4.2724800000e-01  3.5045700000e-01 -1.5362000000e-01 -1.4621330000e+00  1.4462130000e+00 -1.1393000000e-02
+ENERGY -1.526609639040e+02
+FORCES  5.6188000000e-03 -8.1890000000e-04 -7.7300000000e-04 -2.6318000000e-03 -1.2733000000e-03 -4.2189000000e-03 -2.8374000000e-03  1.3772000000e-03  3.6390000000e-03  4.4669000000e-03 -5.3483000000e-03  5.3025000000e-03 -6.9949000000e-03  8.0792000000e-03 -2.6490000000e-03  2.3784000000e-03 -2.0158000000e-03 -1.3006000000e-03
+
+JOB 12
+COORDS  1.9896100000e-01 -2.5021400000e-01  1.4902200000e+00  4.7185400000e-01  5.7278000000e-02  6.2580700000e-01  8.4013000000e-02 -1.1945060000e+00  1.3837720000e+00 -1.5843000000e-01  2.5842300000e-01 -1.4227850000e+00 -1.0755790000e+00 -1.4958000000e-02 -1.4045240000e+00 -1.8544600000e-01  1.1698890000e+00 -1.7138740000e+00
+ENERGY -1.526601092858e+02
+FORCES  7.4410000000e-04 -1.4554000000e-03 -9.8676000000e-03  1.0184000000e-03 -4.3030000000e-04  8.8095000000e-03 -5.2530000000e-04  2.8602000000e-03  7.6240000000e-04 -5.8580000000e-03  2.2118000000e-03 -9.6420000000e-04  4.5453000000e-03  1.1037000000e-03 -7.4840000000e-04  7.5500000000e-05 -4.2899000000e-03  2.0082000000e-03
+
+JOB 13
+COORDS -7.0527400000e-01  1.0264880000e+00  8.7020000000e-01 -1.7028500000e-01  6.2562500000e-01  1.8512600000e-01 -1.5680450000e+00  1.1328560000e+00  4.6951900000e-01  7.0454500000e-01 -9.4502500000e-01 -8.3268800000e-01  1.5584030000e+00 -1.3641610000e+00 -9.3985400000e-01  1.5928500000e-01 -1.6137200000e+00 -4.1823700000e-01
+ENERGY -1.526609996860e+02
+FORCES  2.8365000000e-03 -2.7225000000e-03 -6.9388000000e-03 -6.4565000000e-03  4.3833000000e-03  5.7968000000e-03  2.8763000000e-03 -1.3417000000e-03  1.3006000000e-03  2.4466000000e-03 -4.6677000000e-03  1.8235000000e-03 -4.3369000000e-03  5.7410000000e-04  5.1750000000e-04  2.6339000000e-03  3.7746000000e-03 -2.4997000000e-03
+
+JOB 14
+COORDS  1.2046500000e+00  2.7613600000e-01  8.6426000000e-01  1.0562170000e+00  2.8608800000e-01  1.8098290000e+00  3.3456100000e-01  3.9524300000e-01  4.8348400000e-01 -1.1313230000e+00 -2.3382300000e-01 -8.8418800000e-01 -1.7088950000e+00 -7.4586400000e-01 -3.1809900000e-01 -9.7633300000e-01 -7.9775700000e-01 -1.6419400000e+00
+ENERGY -1.526595500066e+02
+FORCES -6.9350000000e-03  1.6500000000e-05 -3.0192000000e-03 -7.8770000000e-04 -6.1850000000e-04 -3.6387000000e-03  6.1149000000e-03  1.4918000000e-03  7.8422000000e-03  5.2500000000e-04 -5.9894000000e-03 -2.8058000000e-03  3.5007000000e-03  2.9941000000e-03 -1.6311000000e-03 -2.4179000000e-03  2.1056000000e-03  3.2526000000e-03
+
+JOB 15
+COORDS  1.0831240000e+00 -2.1198000000e-02 -1.0797610000e+00  1.6045420000e+00  6.5783200000e-01 -6.5165600000e-01  1.7644300000e-01  2.0832900000e-01 -8.7610100000e-01 -1.1037070000e+00  4.0170000000e-03  1.0608050000e+00 -1.8508700000e-01 -2.4674000000e-02  1.3282880000e+00 -1.1889820000e+00 -7.0119800000e-01  4.1921900000e-01
+ENERGY -1.526560229827e+02
+FORCES -3.3253000000e-03  6.4056000000e-03  2.7312000000e-03 -1.9058000000e-03 -3.6980000000e-03 -6.3580000000e-04  3.7336000000e-03 -5.2903000000e-03 -7.5210000000e-04  4.7381000000e-03 -6.3788000000e-03  7.6890000000e-04 -4.0994000000e-03  2.6459000000e-03 -1.9568000000e-03  8.5880000000e-04  6.3156000000e-03 -1.5530000000e-04
+
+JOB 16
+COORDS -4.3874700000e-01 -1.2418470000e+00 -5.4316900000e-01 -1.3387510000e+00 -1.5493060000e+00 -4.3503600000e-01 -1.9349300000e-01 -1.5226770000e+00 -1.4247680000e+00  5.3605000000e-01  1.2811680000e+00  6.1172500000e-01  1.4204200000e-01  5.7864200000e-01  9.4573000000e-02 -1.6084100000e-01  1.9307700000e+00  7.0441300000e-01
+ENERGY -1.526609009404e+02
+FORCES -2.1992000000e-03 -3.6496000000e-03 -2.1052000000e-03  4.2809000000e-03  1.5333000000e-03 -1.3275000000e-03 -1.9337000000e-03  1.4253000000e-03  4.3410000000e-03 -5.0014000000e-03 -6.3205000000e-03 -3.4870000000e-03  3.1951000000e-03  9.6726000000e-03  3.0424000000e-03  1.6584000000e-03 -2.6611000000e-03 -4.6370000000e-04
+
+JOB 17
+COORDS  5.3291900000e-01  1.3214820000e+00  3.3514800000e-01  1.0732210000e+00  2.1115700000e+00  3.4333000000e-01  7.1533400000e-01  9.1476200000e-01 -5.1192600000e-01 -5.9596700000e-01 -1.3606150000e+00 -3.4707900000e-01  1.3441300000e-01 -1.7456370000e+00  1.3721000000e-01 -9.2652900000e-01 -6.6939500000e-01  2.2665900000e-01
+ENERGY -1.526597546598e+02
+FORCES  2.2679000000e-03  1.0123000000e-03 -4.1435000000e-03 -1.6511000000e-03 -3.8647000000e-03 -9.4820000000e-04  2.0670000000e-04  3.8551000000e-03  5.0498000000e-03  9.7900000000e-04  2.3959000000e-03  7.2751000000e-03 -2.3115000000e-03  1.1231000000e-03 -3.0222000000e-03  5.0900000000e-04 -4.5217000000e-03 -4.2110000000e-03
+
+JOB 18
+COORDS  1.1309860000e+00  9.7272000000e-01  1.0073200000e-01  1.3319800000e+00  1.7726850000e+00  5.8641600000e-01  3.1054200000e-01  6.6017800000e-01  4.8207400000e-01 -1.0634250000e+00 -9.5189600000e-01 -2.0415700000e-01 -6.2856300000e-01 -1.5885060000e+00  3.6316500000e-01 -1.9884030000e+00 -1.0095260000e+00  3.5273000000e-02
+ENERGY -1.526576456684e+02
+FORCES -5.9608000000e-03 -8.8290000000e-04  7.5720000000e-04 -1.8806000000e-03 -3.3096000000e-03 -1.6596000000e-03  7.5752000000e-03  3.8338000000e-03  2.9689000000e-03 -2.1399000000e-03 -5.4406000000e-03  2.0030000000e-04 -2.3792000000e-03  5.0136000000e-03 -1.5976000000e-03  4.7855000000e-03  7.8580000000e-04 -6.6920000000e-04
+
+JOB 19
+COORDS -2.9968300000e-01  1.7463500000e-01  1.4786370000e+00  2.4767700000e-01 -3.6749500000e-01  2.0467250000e+00  2.6486300000e-01  3.9060500000e-01  7.3642500000e-01  2.0346500000e-01 -9.6325000000e-02 -1.4477320000e+00  3.4317200000e-01 -8.9284900000e-01 -9.3561500000e-01  6.3678900000e-01 -2.6928700000e-01 -2.2835230000e+00
+ENERGY -1.526568281637e+02
+FORCES  3.6947000000e-03  2.2936000000e-03 -2.5211000000e-03 -2.0598000000e-03  1.2022000000e-03 -3.7605000000e-03 -1.6363000000e-03 -4.9303000000e-03  6.1076000000e-03  8.6100000000e-05 -4.5227000000e-03 -2.9411000000e-03  2.2107000000e-03  6.0579000000e-03 -8.9580000000e-04 -2.2954000000e-03 -1.0070000000e-04  4.0109000000e-03
+
+JOB 20
+COORDS -6.5673400000e-01  1.0266620000e+00 -8.3260300000e-01 -1.0861010000e+00  1.3319390000e+00 -3.3427000000e-02 -2.6368100000e-01  1.8138360000e+00 -1.2095630000e+00  6.8248300000e-01 -1.1408500000e+00  8.1574300000e-01  2.2498200000e-01 -8.1010700000e-01  4.2739000000e-02  6.3583700000e-01 -4.2329300000e-01  1.4475410000e+00
+ENERGY -1.526586069046e+02
+FORCES  2.4660000000e-04  5.5199000000e-03  5.1700000000e-04  3.4244000000e-03 -2.3015000000e-03 -2.9310000000e-03 -2.4128000000e-03 -3.0614000000e-03  2.3771000000e-03 -2.9539000000e-03  7.8552000000e-03 -4.5164000000e-03  1.9863000000e-03 -5.7789000000e-03  5.3001000000e-03 -2.9070000000e-04 -2.2333000000e-03 -7.4670000000e-04
+
+JOB 21
+COORDS -6.8502600000e-01  1.2816470000e+00  3.2029400000e-01 -1.3718730000e+00  1.0090930000e+00  9.2872500000e-01 -4.7656000000e-02  1.7402720000e+00  8.6770200000e-01  7.5415500000e-01 -1.2948860000e+00 -4.0355700000e-01  3.6257300000e-01 -4.9058000000e-01 -6.2988000000e-02  1.0159300000e-01 -1.9727030000e+00 -2.2760500000e-01
+ENERGY -1.526599263154e+02
+FORCES -2.2644000000e-03  4.5802000000e-03  4.3982000000e-03  4.4200000000e-03 -1.6600000000e-05 -3.1835000000e-03 -3.0258000000e-03 -4.0357000000e-03 -2.8660000000e-03 -6.7442000000e-03  5.9115000000e-03  1.4808000000e-03  5.7820000000e-03 -8.8429000000e-03  2.6380000000e-04  1.8324000000e-03  2.4035000000e-03 -9.3400000000e-05
+
+JOB 22
+COORDS -8.5183600000e-01 -6.5403500000e-01  1.1404910000e+00 -7.7338100000e-01 -1.3461500000e-01  3.4031600000e-01 -1.5873100000e-01 -1.3103840000e+00  1.0694730000e+00  7.4700700000e-01  6.7209600000e-01 -1.0897750000e+00  1.4512110000e+00  1.3160700000e+00 -1.0147710000e+00  1.1977140000e+00 -1.6249600000e-01 -1.2184280000e+00
+ENERGY -1.526579838869e+02
+FORCES  5.6060000000e-03  3.1818000000e-03 -6.3049000000e-03 -3.9682000000e-03 -5.1945000000e-03  4.8098000000e-03 -1.9195000000e-03  1.3577000000e-03  6.8900000000e-05  5.8483000000e-03  1.0180000000e-03  4.1850000000e-04 -2.4968000000e-03 -3.5183000000e-03 -1.0654000000e-03 -3.0697000000e-03  3.1553000000e-03  2.0732000000e-03
+
+JOB 23
+COORDS  4.2801700000e-01  1.2046370000e+00  8.2046900000e-01 -1.5490600000e-01  1.9230770000e+00  1.0659830000e+00 -6.1168000000e-02  4.1227100000e-01  1.0420230000e+00 -3.9395200000e-01 -1.2566500000e+00 -8.1107000000e-01 -7.2026300000e-01 -3.5797300000e-01 -7.6488600000e-01  3.2689800000e-01 -1.2182200000e+00 -1.4396630000e+00
+ENERGY -1.526569534250e+02
+FORCES -1.7875000000e-03 -2.0821000000e-03  4.3167000000e-03  1.7676000000e-03 -4.0193000000e-03 -2.2452000000e-03 -2.4440000000e-04  6.2110000000e-03 -3.2849000000e-03  4.4238000000e-03  6.0052000000e-03 -3.9999000000e-03 -7.0540000000e-04 -4.8316000000e-03  3.4261000000e-03 -3.4541000000e-03 -1.2831000000e-03  1.7872000000e-03
+
+JOB 24
+COORDS  1.0491820000e+00  6.7299300000e-01  9.5837300000e-01  1.7618600000e-01  7.3600000000e-01  5.7089400000e-01  1.0818630000e+00 -2.0657800000e-01  1.3345640000e+00 -1.0056830000e+00 -5.5844300000e-01 -9.4800500000e-01 -2.9060100000e-01 -1.1817910000e+00 -8.2022200000e-01 -1.7212900000e+00 -1.0841250000e+00 -1.3054900000e+00
+ENERGY -1.526581157192e+02
+FORCES -6.4702000000e-03 -2.3565000000e-03 -9.9850000000e-04  6.5137000000e-03  5.0020000000e-04  3.6916000000e-03  4.8760000000e-04  2.1900000000e-03 -2.5994000000e-03 -3.1080000000e-04 -4.6647000000e-03 -2.8640000000e-03 -4.1154000000e-03  2.7484000000e-03  1.2935000000e-03  3.8952000000e-03  1.5827000000e-03  1.4768000000e-03
+
+JOB 25
+COORDS -1.2728430000e+00 -2.0370700000e-01  8.3914200000e-01 -1.5356480000e+00 -1.0943330000e+00  1.0714170000e+00 -3.4921600000e-01 -2.8070900000e-01  5.9994100000e-01  1.2062020000e+00  2.5051200000e-01 -7.9225600000e-01  9.0318000000e-01  5.3121500000e-01 -1.6557460000e+00  2.1554800000e+00  1.7035600000e-01 -8.8540800000e-01
+ENERGY -1.526607183449e+02
+FORCES  6.2114000000e-03 -2.1029000000e-03 -2.2286000000e-03  1.3673000000e-03  2.8869000000e-03 -1.0302000000e-03 -7.9873000000e-03 -1.7114000000e-03  4.9183000000e-03  1.6625000000e-03  1.9519000000e-03 -4.6957000000e-03  3.0090000000e-03 -1.4229000000e-03  3.3705000000e-03 -4.2629000000e-03  3.9860000000e-04 -3.3420000000e-04
+
+JOB 26
+COORDS -4.8080400000e-01  1.3083670000e+00 -5.0174500000e-01 -7.7650000000e-01  1.1534180000e+00 -1.3988440000e+00 -5.8797500000e-01  2.2508130000e+00 -3.7313600000e-01  4.4257000000e-01 -1.3568720000e+00  5.7041500000e-01  9.0796000000e-01 -1.9378050000e+00 -3.1383000000e-02  9.3408800000e-01 -5.3607300000e-01  5.3989600000e-01
+ENERGY -1.526555320996e+02
+FORCES -3.7300000000e-03  1.3748000000e-03 -3.8374000000e-03  1.6996000000e-03  1.6502000000e-03  3.4803000000e-03  7.8650000000e-04 -4.5523000000e-03 -2.3050000000e-04  2.2350000000e-03  5.2903000000e-03 -2.9322000000e-03 -2.2473000000e-03  2.4341000000e-03  1.6194000000e-03  1.2561000000e-03 -6.1970000000e-03  1.9004000000e-03
+
+JOB 27
+COORDS  2.0988700000e-01  1.3841670000e+00  7.6535900000e-01 -1.1029800000e-01  1.8271150000e+00 -2.0459000000e-02 -2.5292000000e-02  4.6542100000e-01  6.3563500000e-01 -1.3545600000e-01 -1.3549870000e+00 -7.6204800000e-01 -1.0496970000e+00 -1.0906830000e+00 -8.6471200000e-01 -8.3251000000e-02 -1.6968500000e+00  1.3049600000e-01
+ENERGY -1.526549326034e+02
+FORCES -3.8050000000e-04 -4.6833000000e-03 -7.8772000000e-03  2.7340000000e-04 -6.8150000000e-04  3.4636000000e-03 -1.8543000000e-03  2.7841000000e-03  5.4464000000e-03 -3.2618000000e-03 -3.9902000000e-03  8.7860000000e-04  5.5923000000e-03  9.9430000000e-04  1.8042000000e-03 -3.6910000000e-04  5.5766000000e-03 -3.7154000000e-03
+
+JOB 28
+COORDS  2.5233400000e-01 -1.4989620000e+00  3.5680800000e-01  6.6073100000e-01 -1.8464050000e+00 -4.3611500000e-01  8.4468900000e-01 -8.0566600000e-01  6.4782000000e-01 -2.5067900000e-01  1.5039700000e+00 -3.5826300000e-01 -8.5536500000e-01  2.0041170000e+00  1.8986100000e-01 -6.1681300000e-01  6.1971000000e-01 -3.7441300000e-01
+ENERGY -1.526600517583e+02
+FORCES  6.8607000000e-03  2.2570000000e-04 -5.8180000000e-04 -2.4000000000e-03  2.0986000000e-03  3.2467000000e-03 -4.2509000000e-03 -4.0912000000e-03 -1.7353000000e-03 -5.1907000000e-03 -3.3180000000e-03  1.5425000000e-03  2.4379000000e-03 -2.2819000000e-03 -1.8420000000e-03  2.5429000000e-03  7.3668000000e-03 -6.3000000000e-04
+
+JOB 29
+COORDS  2.5216900000e-01 -4.8031400000e-01  1.5157810000e+00  1.3821400000e-01 -7.7692100000e-01  6.1285800000e-01  2.3248000000e-01  4.7499000000e-01  1.4588650000e+00 -2.7532000000e-01  4.7021300000e-01 -1.4058740000e+00  5.1890000000e-01  7.4789900000e-01 -1.8623140000e+00 -6.0045600000e-01 -2.6983100000e-01 -1.9185660000e+00
+ENERGY -1.526583855031e+02
+FORCES -2.1289000000e-03  5.4635000000e-03 -8.4821000000e-03  1.0635000000e-03 -3.9130000000e-03  4.9561000000e-03  1.2043000000e-03 -2.6371000000e-03  2.9568000000e-03  1.2279000000e-03 -7.2200000000e-05 -5.6919000000e-03 -3.7961000000e-03 -1.5156000000e-03  2.5221000000e-03  2.4293000000e-03  2.6745000000e-03  3.7390000000e-03
+
+JOB 30
+COORDS  1.4013230000e+00 -3.4917200000e-01 -6.4156800000e-01  2.3250140000e+00 -2.9688700000e-01 -3.9602100000e-01  9.3809600000e-01  8.9445000000e-02  7.2063000000e-02 -1.4114400000e+00  2.8778900000e-01  5.2064900000e-01 -2.0938440000e+00  2.8467000000e-02  1.1397690000e+00 -1.0390630000e+00  1.0863900000e+00  8.9455100000e-01
+ENERGY -1.526543104377e+02
+FORCES -1.3862000000e-03  8.7690000000e-04  4.0438000000e-03 -4.2256000000e-03 -6.2800000000e-05 -5.6100000000e-04  5.5995000000e-03  1.5941000000e-03 -2.2013000000e-03 -4.4933000000e-03  1.3970000000e-03  3.7509000000e-03  2.8397000000e-03  1.6353000000e-03 -2.9592000000e-03  1.6658000000e-03 -5.4404000000e-03 -2.0731000000e-03
+
+JOB 31
+COORDS  7.3134600000e-01  1.0131170000e+00 -1.0740140000e+00  7.3662800000e-01  7.7971000000e-02 -8.6979500000e-01 -7.8070000000e-02  1.3399610000e+00 -6.8126600000e-01 -7.3779900000e-01 -1.0136430000e+00  1.0370340000e+00 -4.7940200000e-01 -4.2103300000e-01  1.7429210000e+00 -1.6435000000e-02 -9.6831600000e-01  4.0949000000e-01
+ENERGY -1.526502774269e+02
+FORCES -5.7920000000e-03 -2.0627000000e-03  1.5411000000e-03 -7.5210000000e-04 -1.5610000000e-04  4.3546000000e-03  4.9366000000e-03 -6.8560000000e-04 -1.4139000000e-03  5.0296000000e-03  2.4082000000e-03  2.2429000000e-03 -2.0240000000e-03 -2.4855000000e-03 -3.7302000000e-03 -1.3982000000e-03  2.9818000000e-03 -2.9944000000e-03
+
+JOB 32
+COORDS -6.8688000000e-01 -1.2133530000e+00 -8.4889900000e-01 -2.5766700000e-01 -4.6944100000e-01 -4.2628300000e-01 -6.5285800000e-01 -1.9126150000e+00 -1.9613000000e-01  7.1256100000e-01  1.2002460000e+00  7.4993400000e-01  2.8581000000e-02  1.8628290000e+00  6.5304800000e-01  4.9482300000e-01  7.4795600000e-01  1.5649530000e+00
+ENERGY -1.526591381744e+02
+FORCES  4.7169000000e-03  2.9342000000e-03  4.4182000000e-03 -6.1810000000e-03 -7.0386000000e-03 -2.7167000000e-03 -2.4400000000e-04  2.8737000000e-03 -1.6649000000e-03 -1.6032000000e-03  5.1000000000e-03  5.3515000000e-03  3.1459000000e-03 -4.4259000000e-03  2.3270000000e-04  1.6540000000e-04  5.5660000000e-04 -5.6208000000e-03
+
+JOB 33
+COORDS -2.6265100000e-01 -3.5060300000e-01  1.5356850000e+00 -2.5654100000e-01 -1.3077190000e+00  1.5468350000e+00  6.5633900000e-01 -1.0599600000e-01  1.4268010000e+00  1.8635700000e-01  4.2056700000e-01 -1.5729170000e+00  1.1313080000e+00  3.3761700000e-01 -1.4447760000e+00 -1.9740700000e-01 -1.3940000000e-01 -8.9808800000e-01
+ENERGY -1.526559436888e+02
+FORCES  4.0779000000e-03 -1.5890000000e-03  3.9429000000e-03  4.5200000000e-05  5.0661000000e-03 -2.1765000000e-03 -4.4048000000e-03 -2.1015000000e-03 -1.4380000000e-03  1.1240000000e-04 -2.4047000000e-03  5.7374000000e-03 -3.3384000000e-03  2.4230000000e-04  5.2530000000e-04  3.5077000000e-03  7.8690000000e-04 -6.5911000000e-03
+
+JOB 34
+COORDS -6.0566300000e-01 -1.0694750000e+00 -1.1657140000e+00 -1.4877700000e-01 -1.6349550000e+00 -5.4304200000e-01 -3.8979100000e-01 -1.8008500000e-01 -8.8532900000e-01  5.1155000000e-01  1.0642370000e+00  1.0952230000e+00  7.2989800000e-01  9.0556800000e-01  2.0135800000e+00  1.3406340000e+00  9.5595500000e-01  6.2925500000e-01
+ENERGY -1.526571608534e+02
+FORCES  1.6752000000e-03  3.1822000000e-03  6.8990000000e-03 -9.6830000000e-04  8.4570000000e-04 -3.0795000000e-03  5.4660000000e-04 -4.1095000000e-03 -5.1931000000e-03  4.3245000000e-03  3.1210000000e-04  4.6581000000e-03 -3.1830000000e-04  6.9070000000e-04 -4.2403000000e-03 -5.2597000000e-03 -9.2120000000e-04  9.5580000000e-04
+
+JOB 35
+COORDS -6.7694800000e-01 -8.8507400000e-01 -1.1768630000e+00 -2.9770300000e-01 -1.6713820000e+00 -7.8427600000e-01 -7.5711800000e-01 -1.0960330000e+00 -2.1070790000e+00  6.1183200000e-01  9.3066700000e-01  1.2313500000e+00  8.0506800000e-01  1.1309930000e+00  3.1551000000e-01  1.4707100000e+00  8.6057900000e-01  1.6480610000e+00
+ENERGY -1.526553885086e+02
+FORCES  1.3860000000e-04 -5.5040000000e-03 -6.2710000000e-04 -1.3960000000e-03  2.8687000000e-03 -2.9696000000e-03  7.4900000000e-04  1.4085000000e-03  4.1506000000e-03  2.6711000000e-03  6.4800000000e-04 -4.0997000000e-03  1.3402000000e-03  1.0149000000e-03  5.3783000000e-03 -3.5030000000e-03 -4.3630000000e-04 -1.8325000000e-03
+
+JOB 36
+COORDS -1.5457910000e+00  6.6452200000e-01 -1.1586800000e-01 -1.8920860000e+00  1.0160200000e+00 -9.3608800000e-01 -7.7556000000e-01  1.5988600000e-01 -3.7724800000e-01  1.4922320000e+00 -6.0002600000e-01  1.6310900000e-01  2.3677480000e+00 -7.4096400000e-01  5.2344300000e-01  1.1780590000e+00 -1.4776670000e+00 -5.4315000000e-02
+ENERGY -1.526566793291e+02
+FORCES  4.4428000000e-03  3.8300000000e-05 -3.3102000000e-03  1.3467000000e-03 -1.4760000000e-03  3.0806000000e-03 -7.1267000000e-03  1.9000000000e-06 -8.0420000000e-04  5.0359000000e-03 -3.5449000000e-03  2.7502000000e-03 -3.5393000000e-03 -2.4680000000e-04 -1.7686000000e-03 -1.5940000000e-04  5.2276000000e-03  5.2200000000e-05
+
+JOB 37
+COORDS -1.3317700000e-01 -1.6189270000e+00 -3.8662000000e-02  7.5712400000e-01 -1.9541250000e+00 -1.4466700000e-01 -6.7739600000e-01 -2.2171550000e+00 -5.5069900000e-01  1.4759200000e-01  1.6966880000e+00  8.0546000000e-02 -6.2130500000e-01  1.4487150000e+00  5.9390700000e-01  6.6674000000e-02  1.1948530000e+00 -7.3053100000e-01
+ENERGY -1.526566694293e+02
+FORCES  2.8323000000e-03 -5.0025000000e-03 -1.0767000000e-03 -4.2806000000e-03  1.0371000000e-03 -1.8800000000e-04  2.2617000000e-03  3.3764000000e-03  1.9697000000e-03 -3.9065000000e-03 -7.1819000000e-03 -5.8230000000e-04  2.1866000000e-03  3.2503000000e-03 -1.4730000000e-03  9.0650000000e-04  4.5206000000e-03  1.3503000000e-03
+
+JOB 38
+COORDS -8.2096900000e-01  1.3962070000e+00  2.7107100000e-01 -1.5994660000e+00  1.9345990000e+00  1.2856100000e-01 -7.2728200000e-01  1.3569420000e+00  1.2228660000e+00  8.1464000000e-01 -1.4764860000e+00 -3.3763700000e-01  6.7265800000e-01 -5.3004200000e-01 -3.5544700000e-01  1.7110350000e+00 -1.5787090000e+00 -1.7860000000e-02
+ENERGY -1.526583462131e+02
+FORCES -5.1804000000e-03  2.6902000000e-03  2.9974000000e-03  3.2041000000e-03 -1.8265000000e-03  1.4987000000e-03  2.5960000000e-04  4.0560000000e-04 -4.4156000000e-03  1.2154000000e-03  5.0428000000e-03  1.8110000000e-04  4.0162000000e-03 -6.9510000000e-03  4.8480000000e-04 -3.5149000000e-03  6.3890000000e-04 -7.4640000000e-04
+
+JOB 39
+COORDS -3.7757100000e-01  1.2632870000e+00  1.0432950000e+00 -2.5664300000e-01  1.2522090000e+00  9.3829000000e-02 -5.3042800000e-01  2.1841770000e+00  1.2550240000e+00  4.0148200000e-01 -1.3593870000e+00 -9.6372000000e-01  7.9479600000e-01 -4.8674400000e-01 -9.6917900000e-01 -2.9229500000e-01 -1.3140480000e+00 -1.6216330000e+00
+ENERGY -1.526515038295e+02
+FORCES -9.8720000000e-04  3.6130000000e-03 -2.4665000000e-03  1.5239000000e-03 -4.2590000000e-04  2.5498000000e-03  5.6500000000e-04 -4.4299000000e-03 -9.3610000000e-04 -7.5020000000e-04  2.4442000000e-03 -1.6944000000e-03 -3.4737000000e-03 -1.7690000000e-03 -4.5820000000e-04  3.1221000000e-03  5.6760000000e-04  3.0054000000e-03
+
+JOB 40
+COORDS -9.9453500000e-01 -1.2985750000e+00 -1.1395000000e-02 -1.5682000000e+00 -1.3089160000e+00  7.5478600000e-01 -1.3875480000e+00 -1.9299570000e+00 -6.1399700000e-01  1.0723080000e+00  1.3962380000e+00  2.0600000000e-04  1.2247580000e+00  6.2933400000e-01 -5.5192500000e-01  4.8735700000e-01  1.0828560000e+00  6.9003000000e-01
+ENERGY -1.526571355524e+02
+FORCES -5.0225000000e-03 -3.4019000000e-03 -6.4200000000e-05  2.8645000000e-03  5.5180000000e-04 -3.1328000000e-03  1.6391000000e-03  2.5394000000e-03  2.7844000000e-03 -3.9436000000e-03 -7.1695000000e-03 -1.2070000000e-04  1.8562000000e-03  4.2620000000e-03  1.0064000000e-03  2.6064000000e-03  3.2181000000e-03 -4.7310000000e-04
+
+JOB 41
+COORDS -9.9071000000e-01  1.3399820000e+00  6.2389800000e-01 -3.1527500000e-01  1.3280180000e+00 -5.4244000000e-02 -8.9984700000e-01  4.9693000000e-01  1.0680140000e+00  9.3628700000e-01 -1.2831670000e+00 -5.5324700000e-01  7.6094200000e-01 -7.2166300000e-01 -1.3083620000e+00  1.3544840000e+00 -2.0602690000e+00 -9.2399600000e-01
+ENERGY -1.526559757833e+02
+FORCES  4.3612000000e-03 -5.2206000000e-03  5.2100000000e-05 -2.9345000000e-03  6.6960000000e-04  5.4350000000e-04 -1.9824000000e-03  4.7952000000e-03 -9.4010000000e-04  1.8798000000e-03 -2.8625000000e-03 -5.4291000000e-03  5.4100000000e-04 -8.2330000000e-04  4.4169000000e-03 -1.8651000000e-03  3.4415000000e-03  1.3566000000e-03
+
+JOB 42
+COORDS  6.9397300000e-01 -6.9487800000e-01  1.4320760000e+00  1.0839200000e-01 -1.0859770000e+00  7.8371800000e-01  5.0956200000e-01 -1.1723320000e+00  2.2409410000e+00 -6.5565700000e-01  6.8624000000e-01 -1.4873410000e+00 -1.9773600000e-01  7.7029000000e-01 -6.5099500000e-01 -1.0366870000e+00  1.5509120000e+00 -1.6402800000e+00
+ENERGY -1.526574862281e+02
+FORCES -2.7484000000e-03 -5.5372000000e-03  2.1575000000e-03  3.0288000000e-03  4.1680000000e-03  3.0741000000e-03  8.6940000000e-04  1.6231000000e-03 -3.4406000000e-03  9.9930000000e-04  5.4108000000e-03  2.7670000000e-03 -3.6627000000e-03 -2.3224000000e-03 -4.9903000000e-03  1.5135000000e-03 -3.3422000000e-03  4.3220000000e-04
+
+JOB 43
+COORDS -6.3019500000e-01 -1.0361440000e+00  1.3408910000e+00 -2.2543000000e-02 -4.9679800000e-01  8.3483000000e-01 -1.1908400000e+00 -1.4475710000e+00  6.8314000000e-01  6.4578600000e-01  1.0933590000e+00 -1.2955850000e+00 -2.0198800000e-01  6.6753000000e-01 -1.1683820000e+00  1.2831390000e+00  4.6567100000e-01 -9.5496600000e-01
+ENERGY -1.526523298836e+02
+FORCES -7.1200000000e-05  4.4310000000e-04 -3.3929000000e-03 -2.4629000000e-03 -3.2333000000e-03  7.0400000000e-05  2.9040000000e-03  2.7349000000e-03  2.2516000000e-03 -3.7570000000e-04 -3.1183000000e-03 -5.4390000000e-04  4.7607000000e-03  6.3940000000e-04  1.2646000000e-03 -4.7549000000e-03  2.5343000000e-03  3.5020000000e-04
+
+JOB 44
+COORDS  8.3060700000e-01 -1.3222360000e+00 -6.4228500000e-01  8.7039500000e-01 -1.5874890000e+00 -1.5611370000e+00  1.0173490000e+00 -2.1234070000e+00 -1.5291400000e-01 -9.0015100000e-01  1.4022150000e+00  6.4794500000e-01 -5.6893100000e-01  1.3339060000e+00  1.5434100000e+00 -1.7237900000e-01  1.1087040000e+00  9.9829000000e-02
+ENERGY -1.526572976736e+02
+FORCES  2.6600000000e-04 -5.8431000000e-03 -1.6823000000e-03  4.4200000000e-05  1.1307000000e-03  3.9895000000e-03 -4.2660000000e-04  3.1838000000e-03 -2.3316000000e-03  5.3499000000e-03 -4.1118000000e-03  3.1710000000e-04 -1.5347000000e-03  6.5490000000e-04 -2.7385000000e-03 -3.6989000000e-03  4.9856000000e-03  2.4457000000e-03
+
+JOB 45
+COORDS  7.4733700000e-01 -5.3283600000e-01  1.5656190000e+00  6.2113000000e-02 -9.2962800000e-01  1.0277940000e+00  1.4684940000e+00 -3.7381900000e-01  9.5662000000e-01 -7.4282100000e-01  4.9707000000e-01 -1.4547210000e+00 -1.5378370000e+00  8.9973700000e-01 -1.8040630000e+00 -2.8258000000e-02  9.4228200000e-01 -1.9101500000e+00
+ENERGY -1.526562963532e+02
+FORCES -1.6605000000e-03  8.5900000000e-05 -6.8513000000e-03  3.3688000000e-03 -3.2300000000e-04  4.4010000000e-03 -1.4577000000e-03 -5.4730000000e-04  2.7424000000e-03 -1.0503000000e-03  4.7040000000e-03 -3.4509000000e-03  3.4726000000e-03 -1.6728000000e-03  1.2038000000e-03 -2.6728000000e-03 -2.2469000000e-03  1.9549000000e-03
+
+JOB 46
+COORDS  1.5333470000e+00  4.4272800000e-01 -8.0433300000e-01  1.6433780000e+00 -4.8663500000e-01 -1.0053550000e+00  9.1157800000e-01  7.5815200000e-01 -1.4601850000e+00 -1.5368080000e+00 -4.3342600000e-01  9.0250700000e-01 -1.7955550000e+00  1.7783700000e-01  2.1284200000e-01 -5.8578800000e-01 -5.0182600000e-01  8.1816400000e-01
+ENERGY -1.526561577256e+02
+FORCES  6.5450000000e-04 -1.5315000000e-03 -5.8691000000e-03 -1.6270000000e-03  4.2943000000e-03  2.0335000000e-03  1.7719000000e-03 -1.7243000000e-03  3.8625000000e-03  4.4822000000e-03  3.6844000000e-03 -2.5544000000e-03  4.1710000000e-04 -2.6237000000e-03  1.9146000000e-03 -5.6988000000e-03 -2.0991000000e-03  6.1290000000e-04
+
+JOB 47
+COORDS -2.9805200000e-01  1.4607820000e+00  1.0943740000e+00 -1.1180010000e+00  1.0231710000e+00  8.6544000000e-01  2.7946200000e-01  1.2932360000e+00  3.4963400000e-01  2.5854100000e-01 -1.3937870000e+00 -1.0312410000e+00  1.1140750000e+00 -1.0936280000e+00 -7.2432300000e-01  4.2651200000e-01 -2.2611180000e+00 -1.3996890000e+00
+ENERGY -1.526557903672e+02
+FORCES -2.2394000000e-03 -3.7029000000e-03 -5.0648000000e-03  2.7459000000e-03  3.0705000000e-03  2.0057000000e-03 -2.8170000000e-04  8.9290000000e-04  3.5285000000e-03  4.4409000000e-03 -4.2175000000e-03 -4.7880000000e-04 -4.1131000000e-03  3.1070000000e-04 -1.6491000000e-03 -5.5250000000e-04  3.6463000000e-03  1.6586000000e-03
+
+JOB 48
+COORDS  5.8445000000e-01 -1.0487480000e+00 -1.3404850000e+00  8.6067000000e-01 -1.6088680000e+00 -6.1508800000e-01 -3.1947000000e-01 -1.3107080000e+00 -1.5152350000e+00 -4.9918200000e-01  1.1349500000e+00  1.3247090000e+00 -7.1343000000e-01  4.2012900000e-01  1.9241750000e+00 -1.1333840000e+00  1.0494350000e+00  6.1287500000e-01
+ENERGY -1.526528630255e+02
+FORCES -1.2775000000e-03 -3.0195000000e-03  2.9659000000e-03 -1.5500000000e-03  1.5780000000e-03 -3.3049000000e-03  3.1761000000e-03  1.8322000000e-03  1.2768000000e-03 -2.6564000000e-03 -3.2329000000e-03 -2.1648000000e-03  1.0422000000e-03  2.4300000000e-03 -2.5162000000e-03  1.2657000000e-03  4.1220000000e-04  3.7432000000e-03
+
+JOB 49
+COORDS  4.3874400000e-01  1.6920220000e+00 -6.9440100000e-01  5.9551500000e-01  1.1755640000e+00  9.6121000000e-02 -5.1229100000e-01  1.7947140000e+00 -7.2929600000e-01 -4.2627900000e-01 -1.6802480000e+00  7.0664900000e-01  3.1451600000e-01 -2.1766040000e+00  3.5867600000e-01 -5.8663900000e-01 -9.9899000000e-01  5.3653000000e-02
+ENERGY -1.526554201558e+02
+FORCES -2.4540000000e-03  1.0398000000e-03  4.2843000000e-03 -1.4587000000e-03  1.2943000000e-03 -5.3768000000e-03  4.2311000000e-03 -1.9288000000e-03 -1.6740000000e-04  2.1749000000e-03 -1.1811000000e-03 -5.3048000000e-03 -3.1610000000e-03  2.2454000000e-03  1.9365000000e-03  6.6760000000e-04 -1.4695000000e-03  4.6281000000e-03
+
+JOB 50
+COORDS  8.3549000000e-01 -3.6499800000e-01 -1.6081550000e+00  1.4465380000e+00 -9.3604000000e-01 -1.1425780000e+00  1.2205240000e+00  5.0834800000e-01 -1.5357130000e+00 -8.6953900000e-01  3.8911300000e-01  1.6282380000e+00 -1.5413430000e+00 -2.9039700000e-01  1.6846050000e+00 -5.5047600000e-01  3.3699300000e-01  7.2728600000e-01
+ENERGY -1.526576612468e+02
+FORCES  6.5208000000e-03  3.3680000000e-04 -7.2650000000e-04 -3.3604000000e-03  2.8598000000e-03 -1.7592000000e-03 -2.7219000000e-03 -4.0681000000e-03  7.2910000000e-04 -1.7990000000e-03 -3.4231000000e-03 -4.9067000000e-03  2.5495000000e-03  2.5473000000e-03  3.0480000000e-04 -1.1889000000e-03  1.7472000000e-03  6.3586000000e-03
+
+JOB 51
+COORDS  5.7849400000e-01  5.9355000000e-01 -1.6269260000e+00  1.9674300000e-01  1.2192460000e+00 -2.2425580000e+00  2.2506200000e-01 -2.5425000000e-01 -1.8962850000e+00 -5.9212200000e-01 -5.5150600000e-01  1.6820700000e+00  1.7752400000e-01 -3.0068800000e-01  2.1929190000e+00 -2.9713300000e-01 -1.2913880000e+00  1.1512330000e+00
+ENERGY -1.526534420224e+02
+FORCES -4.2403000000e-03 -1.5290000000e-04 -3.1274000000e-03  1.8354000000e-03 -2.5781000000e-03  2.2689000000e-03  1.9863000000e-03  2.7190000000e-03  1.3942000000e-03  5.5696000000e-03 -4.9400000000e-04 -1.3424000000e-03 -3.3652000000e-03 -1.4683000000e-03 -1.1691000000e-03 -1.7857000000e-03  1.9742000000e-03  1.9759000000e-03
+
+JOB 52
+COORDS -7.1322400000e-01 -1.5762700000e+00  6.3057300000e-01 -1.0685520000e+00 -2.4148150000e+00  9.2522000000e-01 -1.3839430000e+00 -9.3530700000e-01  8.6623100000e-01  8.1138100000e-01  1.5827700000e+00 -7.0424200000e-01  4.7541900000e-01  2.3217210000e+00 -1.9698200000e-01  3.6119800000e-01  8.1920800000e-01 -3.4293800000e-01
+ENERGY -1.526555632386e+02
+FORCES -4.6459000000e-03 -3.7474000000e-03  2.6272000000e-03  1.0708000000e-03  3.7171000000e-03 -9.8700000000e-04  4.1976000000e-03 -1.3203000000e-03 -1.6923000000e-03 -2.3048000000e-03 -1.6880000000e-03  3.4494000000e-03  9.0740000000e-04 -3.0760000000e-03 -1.9111000000e-03  7.7500000000e-04  6.1147000000e-03 -1.4861000000e-03
+
+JOB 53
+COORDS -9.4282000000e-01 -7.4082600000e-01 -1.5664710000e+00 -1.0780100000e+00 -7.3809300000e-01 -6.1887000000e-01 -1.1468700000e-01 -1.2048460000e+00 -1.6894060000e+00  9.5719400000e-01  7.8282900000e-01  1.5429470000e+00  9.6605000000e-02  5.9283600000e-01  1.9164730000e+00  8.2231000000e-01  7.4156400000e-01  5.9619700000e-01
+ENERGY -1.526541440327e+02
+FORCES  1.8287000000e-03 -4.0288000000e-03  2.2280000000e-03  1.4386000000e-03  1.6498000000e-03 -3.6388000000e-03 -3.5679000000e-03  2.9364000000e-03  8.3740000000e-04 -3.7123000000e-03  9.0980000000e-04 -2.1570000000e-03  3.4995000000e-03 -1.1830000000e-04 -2.2747000000e-03  5.1340000000e-04 -1.3488000000e-03  5.0050000000e-03
+
+JOB 54
+COORDS -2.9552700000e-01 -1.8186930000e+00 -6.1650600000e-01 -9.1430400000e-01 -1.1830010000e+00 -2.5700400000e-01 -3.8109200000e-01 -1.7267030000e+00 -1.5654260000e+00  2.9413600000e-01  1.8041320000e+00  6.0786300000e-01  1.3374500000e-01  1.6643400000e+00  1.5411180000e+00  1.1839890000e+00  1.4811100000e+00  4.6626400000e-01
+ENERGY -1.526562840600e+02
+FORCES -3.2678000000e-03  4.1687000000e-03 -2.5274000000e-03  2.0710000000e-03 -4.2536000000e-03 -1.1795000000e-03  5.1370000000e-04 -7.4960000000e-04  3.6182000000e-03  4.3078000000e-03 -1.6610000000e-03  3.3760000000e-03  1.4860000000e-04  3.5310000000e-04 -4.0175000000e-03 -3.7734000000e-03  2.1425000000e-03  7.3020000000e-04
+
+JOB 55
+COORDS -1.5306680000e+00 -6.3403800000e-01 -1.0955680000e+00 -1.0244840000e+00 -1.3894390000e+00 -7.9660600000e-01 -1.8591290000e+00 -2.3180600000e-01 -2.9148200000e-01  1.5121050000e+00  6.7657200000e-01  1.0988710000e+00  1.5854060000e+00 -2.3942300000e-01  8.3089200000e-01  1.5893360000e+00  1.1720630000e+00  2.8354600000e-01
+ENERGY -1.526550742274e+02
+FORCES -1.6110000000e-04 -1.1947000000e-03  5.2633000000e-03 -1.1599000000e-03  3.1216000000e-03 -1.4328000000e-03  9.6790000000e-04 -2.0278000000e-03 -3.9430000000e-03  1.1122000000e-03 -1.1231000000e-03 -5.3517000000e-03 -9.0910000000e-04  3.1294000000e-03  1.4963000000e-03  1.5000000000e-04 -1.9053000000e-03  3.9680000000e-03
+
+JOB 56
+COORDS  1.7780860000e+00  1.4005300000e-01 -9.3767300000e-01  9.7314000000e-01  2.7961200000e-01 -4.3885800000e-01  2.0300940000e+00 -7.6179800000e-01 -7.3920500000e-01 -1.8021000000e+00 -7.8591000000e-02  8.6279200000e-01 -1.0718470000e+00  4.7772900000e-01  1.1338480000e+00 -1.5916520000e+00 -9.4155300000e-01  1.2195000000e+00
+ENERGY -1.526535365337e+02
+FORCES -2.9727000000e-03 -3.6015000000e-03  1.5825000000e-03  4.2935000000e-03  2.2000000000e-04 -1.6630000000e-04 -9.4950000000e-04  3.8286000000e-03 -4.5650000000e-04  1.6011000000e-03 -1.2062000000e-03  4.2420000000e-03 -1.6738000000e-03 -3.2434000000e-03 -3.1529000000e-03 -2.9860000000e-04  4.0025000000e-03 -2.0487000000e-03
+
+JOB 57
+COORDS -8.2890800000e-01  7.9522200000e-01  1.5774200000e+00 -5.3456600000e-01  1.7056530000e+00  1.6040720000e+00 -1.7070960000e+00  8.3790100000e-01  1.1990080000e+00  8.5354400000e-01 -8.3204100000e-01 -1.6251470000e+00  1.3933140000e+00 -3.6440900000e-01 -9.8780800000e-01  4.6517000000e-01 -1.5521400000e+00 -1.1283020000e+00
+ENERGY -1.526557810022e+02
+FORCES -3.2005000000e-03  4.3819000000e-03 -1.6899000000e-03 -9.0230000000e-04 -3.8653000000e-03 -8.7700000000e-05  3.5405000000e-03 -2.3290000000e-04  2.0253000000e-03  3.5700000000e-05 -6.1170000000e-04  6.2826000000e-03 -1.0250000000e-03 -1.7715000000e-03 -3.6235000000e-03  1.5516000000e-03  2.0995000000e-03 -2.9069000000e-03
+
+JOB 58
+COORDS  3.0517800000e-01 -4.2886900000e-01  1.8598260000e+00  1.1457620000e+00 -6.8192200000e-01  1.4782300000e+00  2.2357500000e-01 -9.7314200000e-01  2.6429860000e+00 -2.9940600000e-01  5.0499300000e-01 -1.9082690000e+00 -5.0283000000e-01  2.2351200000e-01 -1.0162940000e+00 -1.0839350000e+00  2.8973000000e-01 -2.4126560000e+00
+ENERGY -1.526569274682e+02
+FORCES  3.7753000000e-03 -3.3363000000e-03  3.3645000000e-03 -4.3025000000e-03  9.2340000000e-04  1.3777000000e-03  6.3190000000e-04  2.2355000000e-03 -3.2250000000e-03 -4.4177000000e-03 -1.7082000000e-03  2.6607000000e-03  1.2843000000e-03  1.0779000000e-03 -5.9675000000e-03  3.0288000000e-03  8.0770000000e-04  1.7896000000e-03
+
+JOB 59
+COORDS  1.7462000000e+00 -3.6649000000e-01 -7.7905400000e-01  1.8930420000e+00 -8.5318800000e-01 -1.5900990000e+00  2.5081420000e+00  2.0780600000e-01 -7.0249600000e-01 -1.7398580000e+00  3.7698200000e-01  7.8143400000e-01 -2.2821850000e+00  1.0001900000e+00  1.2648860000e+00 -2.1355870000e+00 -4.7575900000e-01  9.6160800000e-01
+ENERGY -1.526524745748e+02
+FORCES  3.2132000000e-03  1.0796000000e-03 -2.9348000000e-03 -6.7250000000e-04  1.7509000000e-03  3.4429000000e-03 -2.9427000000e-03 -2.4772000000e-03 -3.2000000000e-04 -3.2189000000e-03 -1.5755000000e-03  2.6446000000e-03  2.4515000000e-03 -2.3788000000e-03 -2.0860000000e-03  1.1694000000e-03  3.6011000000e-03 -7.4670000000e-04
+
+JOB 60
+COORDS  6.9517500000e-01  1.6099700000e-01  1.9600350000e+00  1.2469000000e+00  8.9043600000e-01  1.6776340000e+00  4.6504000000e-02  6.6660000000e-02  1.2624970000e+00 -7.0765700000e-01 -2.5972700000e-01 -1.9376120000e+00 -1.2681870000e+00  3.5039900000e-01 -1.4582540000e+00  1.4707100000e-01  1.7031800000e-01 -1.9647240000e+00
+ENERGY -1.526537468783e+02
+FORCES -3.5000000000e-04  1.6127000000e-03 -3.8352000000e-03 -2.4875000000e-03 -2.9288000000e-03  7.2200000000e-04  2.6714000000e-03  1.8737000000e-03  3.2981000000e-03  8.1440000000e-04  4.1601000000e-03 -5.1550000000e-04  3.2853000000e-03 -3.0083000000e-03 -7.5700000000e-04 -3.9336000000e-03 -1.7094000000e-03  1.0875000000e-03
+
+JOB 61
+COORDS  1.8227760000e+00  2.5660000000e-02  1.0616100000e+00  1.4816190000e+00 -7.7664500000e-01  1.4567670000e+00  1.0535800000e+00  4.5412200000e-01  6.8612400000e-01 -1.7803700000e+00 -4.3094000000e-02 -1.1171040000e+00 -1.8714180000e+00 -3.0042200000e-01 -1.9964800000e-01 -1.3647450000e+00  8.1854900000e-01 -1.0845670000e+00
+ENERGY -1.526530347014e+02
+FORCES -4.0918000000e-03 -2.3369000000e-03 -5.2800000000e-04  1.1734000000e-03  3.6733000000e-03 -1.3378000000e-03  2.4944000000e-03 -9.8670000000e-04  1.9955000000e-03 -2.8620000000e-04  2.6407000000e-03  2.8228000000e-03  1.6216000000e-03  1.2406000000e-03 -3.7460000000e-03 -9.1130000000e-04 -4.2310000000e-03  7.9340000000e-04
+
+JOB 62
+COORDS  6.7925000000e-02 -6.8776600000e-01  1.9864840000e+00 -2.8229400000e-01  1.7024200000e-01  1.7468990000e+00  7.8886100000e-01 -4.9393900000e-01  2.5855800000e+00 -9.6582000000e-02  6.8315500000e-01 -2.0185780000e+00  5.2565100000e-01  2.7329600000e-01 -1.4176840000e+00 -5.8686100000e-01 -4.8969000000e-02 -2.3925470000e+00
+ENERGY -1.526559318132e+02
+FORCES  7.3900000000e-04  4.4360000000e-03  2.7787000000e-03  2.1837000000e-03 -4.0888000000e-03  8.2130000000e-04 -2.8941000000e-03 -7.8110000000e-04 -2.7644000000e-03  6.8580000000e-04 -5.5582000000e-03  6.5730000000e-04 -2.6149000000e-03  2.7809000000e-03 -2.7089000000e-03  1.9005000000e-03  3.2112000000e-03  1.2160000000e-03
+
+JOB 63
+COORDS  1.0105220000e+00 -1.7970550000e+00  1.8821400000e-01  1.6347290000e+00 -2.4627940000e+00  4.7698700000e-01  3.3008300000e-01 -2.2892350000e+00 -2.7112600000e-01 -1.0153470000e+00  1.7949450000e+00 -1.7768700000e-01 -4.8262400000e-01  2.3023830000e+00  4.3464100000e-01 -1.3878820000e+00  2.4480980000e+00 -7.7000500000e-01
+ENERGY -1.526535830173e+02
+FORCES -1.1647000000e-03 -4.3904000000e-03 -1.1203000000e-03 -2.4378000000e-03  2.9477000000e-03 -1.0865000000e-03  3.2239000000e-03  1.3054000000e-03  1.9277000000e-03  1.6283000000e-03  4.4221000000e-03  4.9700000000e-04 -2.6423000000e-03 -1.4411000000e-03 -2.5319000000e-03  1.3926000000e-03 -2.8438000000e-03  2.3140000000e-03
+
+JOB 64
+COORDS  1.5173670000e+00 -1.0986890000e+00  1.1095280000e+00  8.7801000000e-01 -1.5580470000e+00  5.6506100000e-01  1.9256230000e+00 -1.7878970000e+00  1.6335030000e+00 -1.4881350000e+00  1.2147720000e+00 -1.1446810000e+00 -2.1557720000e+00  1.1403320000e+00 -4.6280700000e-01 -1.1239000000e+00  3.3289400000e-01 -1.2212130000e+00
+ENERGY -1.526530693635e+02
+FORCES -2.1020000000e-04 -4.9109000000e-03  2.7110000000e-04  1.8550000000e-03  2.3923000000e-03  1.7595000000e-03 -1.7841000000e-03  2.9765000000e-03 -2.2021000000e-03 -6.6780000000e-04 -3.4131000000e-03  3.0347000000e-03  2.5159000000e-03  1.1520000000e-04 -3.0727000000e-03 -1.7089000000e-03  2.8401000000e-03  2.0960000000e-04
+
+JOB 65
+COORDS -1.3239520000e+00  8.1838100000e-01  1.5820260000e+00 -1.5124490000e+00  7.2867400000e-01  2.5161850000e+00 -3.6874800000e-01  8.5518400000e-01  1.5323970000e+00  1.3196860000e+00 -7.7972600000e-01 -1.6046370000e+00  7.6921300000e-01 -1.4219960000e+00 -1.1566400000e+00  1.0591330000e+00 -8.3983800000e-01 -2.5237290000e+00
+ENERGY -1.526552272333e+02
+FORCES  3.5017000000e-03  5.0130000000e-04  3.3888000000e-03  7.5280000000e-04  2.2460000000e-04 -3.8309000000e-03 -4.4717000000e-03 -5.4070000000e-04  8.9970000000e-04 -3.9133000000e-03 -2.8214000000e-03 -2.4361000000e-03  2.8518000000e-03  2.5948000000e-03 -1.6530000000e-03  1.2787000000e-03  4.1400000000e-05  3.6314000000e-03
+
+JOB 66
+COORDS -1.8541210000e+00 -3.8788800000e-01  1.1097720000e+00 -2.1930820000e+00  9.5614000000e-02  1.8631400000e+00 -2.6346280000e+00 -7.2526400000e-01  6.7020600000e-01  1.8770190000e+00  3.5143000000e-01 -1.1532240000e+00  2.0570420000e+00  1.2893680000e+00 -1.0892230000e+00  2.6318600000e+00 -6.6639000000e-02 -7.3889900000e-01
+ENERGY -1.526530617236e+02
+FORCES -4.4365000000e-03  5.4100000000e-04  6.7620000000e-04  1.5571000000e-03 -1.9086000000e-03 -3.0142000000e-03  3.0649000000e-03  1.3555000000e-03  2.0266000000e-03  3.1012000000e-03  1.9627000000e-03  2.7415000000e-03 -4.9910000000e-04 -3.6840000000e-03 -5.0430000000e-04 -2.7876000000e-03  1.7334000000e-03 -1.9257000000e-03
+
+JOB 67
+COORDS  2.1554740000e+00 -8.8465800000e-01  1.2365400000e-01  2.2359150000e+00 -1.0194250000e+00  1.0678990000e+00  1.5689950000e+00 -1.3308000000e-01  3.7605000000e-02 -2.1893980000e+00  8.3812700000e-01 -1.5173900000e-01 -1.3888560000e+00  8.8722600000e-01  3.7070900000e-01 -1.9034670000e+00  1.0209890000e+00 -1.0467460000e+00
+ENERGY -1.526528388477e+02
+FORCES -1.5462000000e-03  1.9579000000e-03  3.7050000000e-03 -4.8910000000e-04  8.2410000000e-04 -4.0961000000e-03  1.6060000000e-03 -2.6606000000e-03  3.9080000000e-04  3.6966000000e-03  8.2980000000e-04 -1.8580000000e-03 -2.3963000000e-03 -2.8500000000e-04 -2.2585000000e-03 -8.7100000000e-04 -6.6620000000e-04  4.1168000000e-03
+
+JOB 68
+COORDS  1.7752360000e+00 -1.4023020000e+00  6.3569100000e-01  1.6439630000e+00 -1.1899680000e+00  1.5597650000e+00  1.7194430000e+00 -5.5942300000e-01  1.8549800000e-01 -1.7475400000e+00  1.2919070000e+00 -6.5047900000e-01 -1.5130130000e+00  1.8374740000e+00 -1.4012020000e+00 -2.3331300000e+00  1.8405860000e+00 -1.2868700000e-01
+ENERGY -1.526545548569e+02
+FORCES -2.0858000000e-03  4.6792000000e-03  1.6232000000e-03  9.7460000000e-04 -1.0255000000e-03 -3.3852000000e-03  1.4551000000e-03 -3.5120000000e-03  1.8015000000e-03 -2.3488000000e-03  4.3633000000e-03 -1.2585000000e-03 -6.0030000000e-04 -2.2683000000e-03  3.3268000000e-03  2.6052000000e-03 -2.2368000000e-03 -2.1078000000e-03
+
+JOB 69
+COORDS -1.4006060000e+00  1.5482910000e+00 -1.1407960000e+00 -1.2567200000e+00  6.1660800000e-01 -1.3066120000e+00 -2.0866860000e+00  1.5701650000e+00 -4.7367700000e-01  1.4260020000e+00 -1.4649100000e+00  1.0606750000e+00  2.1774790000e+00 -1.9042760000e+00  1.4587600000e+00  6.8540700000e-01 -1.7037120000e+00  1.6181010000e+00
+ENERGY -1.526540928476e+02
+FORCES -1.2618000000e-03 -4.0351000000e-03  2.1636000000e-03 -1.5192000000e-03  3.9882000000e-03  4.4080000000e-04  2.5732000000e-03 -9.4900000000e-05 -2.6132000000e-03  7.3840000000e-04 -2.5812000000e-03  4.2231000000e-03 -3.1928000000e-03  1.7353000000e-03 -1.5838000000e-03  2.6622000000e-03  9.8770000000e-04 -2.6304000000e-03
+
+JOB 70
+COORDS  1.5250280000e+00  1.5533110000e+00 -8.4884500000e-01  1.0396340000e+00  2.3556000000e+00 -6.5660300000e-01  1.8669360000e+00  1.6857120000e+00 -1.7330400000e+00 -1.5808690000e+00 -1.5759380000e+00  8.8548500000e-01 -9.1007100000e-01 -1.5937710000e+00  2.0288400000e-01 -1.1881910000e+00 -2.0473240000e+00  1.6202170000e+00
+ENERGY -1.526551264594e+02
+FORCES -7.1540000000e-04  4.4219000000e-03 -2.6236000000e-03  2.2844000000e-03 -3.2227000000e-03 -9.9590000000e-04 -1.4369000000e-03 -7.1790000000e-04  3.6199000000e-03  5.0462000000e-03 -1.3875000000e-03  2.6000000000e-06 -3.4034000000e-03 -7.8030000000e-04  2.7990000000e-03 -1.7748000000e-03  1.6866000000e-03 -2.8019000000e-03
+
+JOB 71
+COORDS  9.7991000000e-02  2.0581780000e+00 -1.1197650000e+00  1.0260350000e+00  1.8959390000e+00 -9.5052100000e-01  7.4224000000e-02  2.9325270000e+00 -1.5085850000e+00 -1.9789400000e-01 -2.1399550000e+00  1.0889650000e+00  6.9349700000e-01 -1.8048560000e+00  9.9220300000e-01 -4.3387600000e-01 -1.9364030000e+00  1.9940130000e+00
+ENERGY -1.526533578508e+02
+FORCES  3.4798000000e-03  2.8918000000e-03 -1.2450000000e-03 -3.6776000000e-03  4.7490000000e-04 -3.6130000000e-04  8.5500000000e-05 -3.6215000000e-03  1.6668000000e-03  2.2249000000e-03  2.8801000000e-03  3.0059000000e-03 -3.2110000000e-03 -1.5292000000e-03  4.7090000000e-04  1.0985000000e-03 -1.0962000000e-03 -3.5373000000e-03
+
+JOB 72
+COORDS -2.1215960000e+00 -1.1264200000e+00  1.7967400000e-01 -3.0144760000e+00 -8.0257200000e-01  6.0848000000e-02 -1.5818430000e+00 -3.3649500000e-01  2.0994400000e-01  2.1010560000e+00  1.0418900000e+00 -2.1950100000e-01  2.9688150000e+00  7.1128300000e-01  1.2716000000e-02  1.9793250000e+00  1.8095830000e+00  3.3912300000e-01
+ENERGY -1.526547429658e+02
+FORCES -5.8890000000e-04  4.6180000000e-03 -8.0200000000e-04  3.5110000000e-03 -1.2757000000e-03  5.5990000000e-04 -3.3536000000e-03 -3.1722000000e-03  4.1440000000e-04  4.0053000000e-03  1.4447000000e-03  3.0647000000e-03 -3.5243000000e-03  1.6633000000e-03 -9.3690000000e-04 -4.9600000000e-05 -3.2782000000e-03 -2.3002000000e-03
+
+JOB 73
+COORDS  6.4260000000e-02 -1.8636470000e+00  1.4590610000e+00  4.4337400000e-01 -1.5524760000e+00  2.2810570000e+00  5.9991600000e-01 -2.6196560000e+00  1.2187410000e+00 -1.4785800000e-01  1.8266370000e+00 -1.4769660000e+00  7.8389100000e-01  1.8396850000e+00 -1.6958390000e+00 -4.0382300000e-01  2.7488580000e+00 -1.4621010000e+00
+ENERGY -1.526530678416e+02
+FORCES  3.5608000000e-03 -1.4551000000e-03  2.1452000000e-03 -1.4871000000e-03 -1.3825000000e-03 -3.2652000000e-03 -2.1318000000e-03  3.0825000000e-03  9.7690000000e-04  2.7662000000e-03  3.4019000000e-03 -5.6980000000e-04 -3.7306000000e-03  1.2230000000e-04  7.3950000000e-04  1.0225000000e-03 -3.7691000000e-03 -2.6600000000e-05
+
+JOB 74
+COORDS -2.5210830000e+00 -2.8963500000e-01 -4.2876000000e-02 -2.2905470000e+00 -1.0341330000e+00  5.1282800000e-01 -1.6801730000e+00  9.6660000000e-02 -2.8757500000e-01  2.3879050000e+00  3.0647100000e-01  3.8476000000e-02  2.8020940000e+00  3.9906100000e-01 -8.1949100000e-01  3.1161710000e+00  3.2190600000e-01  6.5946100000e-01
+ENERGY -1.526555370730e+02
+FORCES  5.1770000000e-03 -1.2797000000e-03  1.4458000000e-03 -1.3913000000e-03  2.7290000000e-03 -2.1375000000e-03 -4.3009000000e-03 -1.5249000000e-03  5.8110000000e-04  5.2937000000e-03  5.9690000000e-04 -7.9670000000e-04 -1.8429000000e-03 -4.0490000000e-04  3.5660000000e-03 -2.9355000000e-03 -1.1650000000e-04 -2.6588000000e-03
+
+JOB 75
+COORDS -1.5628290000e+00 -1.6062790000e+00 -1.0778860000e+00 -2.4313070000e+00 -1.2038400000e+00 -1.0824140000e+00 -1.7034990000e+00 -2.4764600000e+00 -7.0475400000e-01  1.6719250000e+00  1.5962050000e+00  1.0568460000e+00  1.2585420000e+00  2.0071770000e+00  1.8160880000e+00  1.0841620000e+00  1.7933810000e+00  3.2753900000e-01
+ENERGY -1.526541477526e+02
+FORCES -3.8953000000e-03 -2.4854000000e-03  1.6329000000e-03  3.6674000000e-03 -1.3308000000e-03  7.4900000000e-05  3.3830000000e-04  3.5916000000e-03 -1.6397000000e-03 -4.4212000000e-03  1.8164000000e-03 -3.6060000000e-04  1.7010000000e-03 -1.5563000000e-03 -2.9308000000e-03  2.6098000000e-03 -3.5500000000e-05  3.2233000000e-03
+
+JOB 76
+COORDS -2.1586270000e+00 -5.3133600000e-01  1.2872980000e+00 -1.6203220000e+00 -4.4670100000e-01  2.0742510000e+00 -2.1939540000e+00  3.5369000000e-01  9.2437500000e-01  2.1243870000e+00  4.1476800000e-01 -1.3600330000e+00  1.5402970000e+00  5.1970300000e-01 -6.0899400000e-01  2.7098580000e+00  1.1707670000e+00 -1.3161980000e+00
+ENERGY -1.526536440379e+02
+FORCES  1.1674000000e-03  3.6518000000e-03  1.9424000000e-03 -1.8783000000e-03 -1.4200000000e-04 -3.5780000000e-03  7.4340000000e-04 -3.6584000000e-03  1.5346000000e-03 -1.0100000000e-05  3.1280000000e-03  3.1363000000e-03  2.4998000000e-03  1.0380000000e-04 -2.9321000000e-03 -2.5222000000e-03 -3.0832000000e-03 -1.0310000000e-04
+
+JOB 77
+COORDS  2.3487000000e-01  2.8436000000e-01  2.5840780000e+00  1.0296600000e+00 -2.3487200000e-01  2.7063020000e+00  3.0436400000e-01  6.2304300000e-01  1.6915000000e+00 -2.6867400000e-01 -2.6554500000e-01 -2.4758420000e+00 -2.5820000000e-02  2.5137000000e-01 -3.2439910000e+00 -8.2667600000e-01 -9.6204100000e-01 -2.8219030000e+00
+ENERGY -1.526551640503e+02
+FORCES  3.3091000000e-03 -8.7810000000e-04 -3.9243000000e-03 -3.0738000000e-03  2.0563000000e-03 -1.7680000000e-04 -6.4500000000e-05 -1.0183000000e-03  4.4639000000e-03 -1.6505000000e-03 -9.5590000000e-04 -4.8497000000e-03 -9.3120000000e-04 -2.1127000000e-03  3.2204000000e-03  2.4108000000e-03  2.9088000000e-03  1.2666000000e-03
+
+JOB 78
+COORDS  5.8947800000e-01  2.0990240000e+00  1.5599890000e+00  9.3540400000e-01  1.6778130000e+00  7.7312900000e-01 -3.5084700000e-01  2.1748860000e+00  1.3979250000e+00 -6.1771700000e-01 -2.0741910000e+00 -1.5356150000e+00 -4.1932400000e-01 -2.4230270000e+00 -6.6660100000e-01  2.3287500000e-01 -1.8154850000e+00 -1.8902940000e+00
+ENERGY -1.526543903503e+02
+FORCES -2.8011000000e-03 -1.1499000000e-03 -4.0420000000e-03 -1.0454000000e-03  1.4655000000e-03  3.2973000000e-03  3.9874000000e-03 -2.4930000000e-04  8.5540000000e-04  4.2174000000e-03 -1.2919000000e-03  1.8792000000e-03 -8.0430000000e-04  1.7964000000e-03 -3.6751000000e-03 -3.5540000000e-03 -5.7080000000e-04  1.6852000000e-03
+
+JOB 79
+COORDS  2.5402170000e+00 -4.0361700000e-01  6.7999600000e-01  3.2388070000e+00 -9.8308200000e-01  3.7598400000e-01  2.3147460000e+00  1.2323100000e-01 -8.6702000000e-02 -2.6108120000e+00  3.6712700000e-01 -5.8695000000e-01 -1.6879710000e+00  5.4841000000e-01 -4.0881700000e-01 -2.8224860000e+00  9.1802600000e-01 -1.3405650000e+00
+ENERGY -1.526538262078e+02
+FORCES  2.5090000000e-03 -6.3930000000e-04 -4.2334000000e-03 -2.8699000000e-03  2.5217000000e-03  1.2317000000e-03  2.4960000000e-04 -1.9765000000e-03  3.1568000000e-03  2.8710000000e-03  2.8680000000e-03 -1.8843000000e-03 -3.7566000000e-03 -4.9470000000e-04 -1.2889000000e-03  9.9690000000e-04 -2.2792000000e-03  3.0181000000e-03
+
+JOB 80
+COORDS  2.1997230000e+00 -9.1567500000e-01  1.4088290000e+00  2.6074120000e+00 -2.2653900000e-01  8.8431500000e-01  1.7388390000e+00 -1.4613570000e+00  7.7160900000e-01 -2.1296780000e+00  8.8692000000e-01 -1.3389430000e+00 -2.9188210000e+00  3.7410000000e-01 -1.1643020000e+00 -2.4516180000e+00  1.7719160000e+00 -1.5103180000e+00
+ENERGY -1.526545977308e+02
+FORCES -8.4870000000e-04  9.5930000000e-04 -5.0911000000e-03 -1.2076000000e-03 -2.8254000000e-03  2.2799000000e-03  2.2074000000e-03  1.7718000000e-03  2.7825000000e-03 -4.7361000000e-03  1.6920000000e-03  2.5540000000e-04  3.2640000000e-03  2.0355000000e-03 -8.3530000000e-04  1.3211000000e-03 -3.6332000000e-03  6.0860000000e-04
+
+JOB 81
+COORDS -3.4259700000e+00 -1.3079240000e+00 -2.2587000000e-02 -3.6521440000e+00 -9.1966700000e-01 -8.6776900000e-01 -3.5495770000e+00 -2.2485450000e+00 -1.4981400000e-01  3.4415630000e+00  1.4053730000e+00  1.0737700000e-01  3.9347750000e+00  1.0647470000e+00 -6.3891200000e-01  3.0173260000e+00  6.3547900000e-01  4.8621600000e-01
+ENERGY -1.526541335939e+02
+FORCES -1.6036000000e-03 -2.1328000000e-03 -3.9692000000e-03  9.6290000000e-04 -1.6656000000e-03  3.4455000000e-03  6.0600000000e-04  3.8245000000e-03  5.2310000000e-04  8.0200000000e-05 -4.5561000000e-03 -1.3918000000e-03 -1.9715000000e-03  1.3991000000e-03  2.9919000000e-03  1.9260000000e-03  3.1309000000e-03 -1.5994000000e-03
+
+JOB 82
+COORDS -3.9686500000e-01 -6.6128800000e-01 -3.8131790000e+00 -9.9556500000e-01 -1.1048410000e+00 -4.4140550000e+00  1.6149100000e-01 -1.3597290000e+00 -3.4716380000e+00  3.6588000000e-01  6.9664600000e-01  3.7734130000e+00  2.2936200000e-01  1.6039060000e+00  4.0463130000e+00  1.0172890000e+00  3.5690700000e-01  4.3869880000e+00
+ENERGY -1.526539848403e+02
+FORCES -1.8560000000e-04 -4.6682000000e-03 -7.9350000000e-04  2.4394000000e-03  1.8224000000e-03  2.3817000000e-03 -2.2398000000e-03  2.8120000000e-03 -1.5649000000e-03  2.0645000000e-03  2.4356000000e-03  3.5115000000e-03  5.7090000000e-04 -3.7325000000e-03 -1.0309000000e-03 -2.6495000000e-03  1.3308000000e-03 -2.5038000000e-03
+
+JOB 83
+COORDS -7.0003000000e-02 -1.3677060000e+00  3.7180990000e+00  8.8107000000e-02 -2.1188400000e+00  3.1462330000e+00  6.8820200000e-01 -1.3468150000e+00  4.3019830000e+00  1.2491000000e-02  1.4429990000e+00 -3.7737110000e+00 -1.2621100000e-01  1.7117610000e+00 -2.8655480000e+00  2.4726700000e-01  5.1679100000e-01 -3.7166970000e+00
+ENERGY -1.526541619089e+02
+FORCES  3.7106000000e-03 -3.0694000000e-03  3.0590000000e-04 -6.3470000000e-04  3.1577000000e-03  2.1859000000e-03 -3.0936000000e-03 -7.4200000000e-05 -2.4630000000e-03  3.0250000000e-04 -2.6203000000e-03  4.0279000000e-03  6.2370000000e-04 -1.1171000000e-03 -3.7898000000e-03 -9.0840000000e-04  3.7233000000e-03 -2.6690000000e-04
+
+JOB 84
+COORDS  6.2877800000e-01 -4.4248430000e+00  2.4727000000e-01  4.5347500000e-01 -4.5341370000e+00 -6.8737200000e-01  8.3807900000e-01 -3.4959510000e+00  3.4517100000e-01 -5.9139800000e-01  4.4021790000e+00 -2.4550300000e-01 -4.7868500000e-01  4.4625650000e+00  7.0311700000e-01 -1.3871040000e+00  3.8825970000e+00 -3.6004200000e-01
+ENERGY -1.526541193496e+02
+FORCES  2.3980000000e-04  3.3144000000e-03 -3.4721000000e-03  6.7200000000e-04  4.4980000000e-04  3.8347000000e-03 -9.2840000000e-04 -3.7772000000e-03 -3.4890000000e-04 -2.8567000000e-03 -1.6988000000e-03  3.4454000000e-03 -4.3600000000e-04 -3.1700000000e-04 -3.9011000000e-03  3.3092000000e-03  2.0290000000e-03  4.4190000000e-04
+
+JOB 85
+COORDS -1.6156970000e+00 -3.2278380000e+00  3.0080430000e+00 -1.7872710000e+00 -2.4510550000e+00  2.4756870000e+00 -1.8156060000e+00 -3.9639960000e+00  2.4298220000e+00  1.6263520000e+00  3.2320000000e+00 -3.0061440000e+00  2.1786820000e+00  2.5439300000e+00 -2.6350330000e+00  1.3121770000e+00  3.7231160000e+00 -2.2469790000e+00
+ENERGY -1.526540930291e+02
+FORCES -1.6073000000e-03  9.0400000000e-05 -4.5230000000e-03  7.7350000000e-04 -3.1178000000e-03  2.1767000000e-03  8.4590000000e-04  3.0277000000e-03  2.3612000000e-03  1.0813000000e-03 -7.1100000000e-04  4.5956000000e-03 -2.3241000000e-03  2.7674000000e-03 -1.5130000000e-03  1.2307000000e-03 -2.0567000000e-03 -3.0975000000e-03
+
+JOB 86
+COORDS  3.3670000000e-03  4.7457590000e+00  9.1760300000e-01 -3.6613500000e-01  3.9202410000e+00  6.0420100000e-01  9.4844700000e-01  4.6436880000e+00  8.0518700000e-01 -5.9778000000e-02 -4.7580010000e+00 -8.9660300000e-01  2.5139400000e-01 -4.1938380000e+00 -1.6045040000e+00 -4.8560000000e-03 -4.2116640000e+00 -1.1255500000e-01
+ENERGY -1.526539072407e+02
+FORCES  2.3343000000e-03 -3.6772000000e-03 -1.7312000000e-03  1.5450000000e-03  3.3002000000e-03  1.2791000000e-03 -3.8784000000e-03  3.5010000000e-04  4.5090000000e-04  1.4852000000e-03  4.4248000000e-03  3.0960000000e-04 -1.2720000000e-03 -2.2390000000e-03  2.9247000000e-03 -2.1420000000e-04 -2.1588000000e-03 -3.2331000000e-03
+
+JOB 87
+COORDS -1.6257070000e+00  2.3179200000e+00 -4.5926550000e+00 -1.9276610000e+00  1.8292800000e+00 -3.8269620000e+00 -1.4408120000e+00  1.6458280000e+00 -5.2486570000e+00  1.5987520000e+00 -2.3061700000e+00  4.5845580000e+00  1.3016600000e+00 -1.4301340000e+00  4.8305850000e+00  2.5251150000e+00 -2.1942840000e+00  4.3711000000e+00
+ENERGY -1.526541383269e+02
+FORCES -5.0730000000e-04 -4.7664000000e-03  4.3250000000e-04  1.2482000000e-03  2.0210000000e-03 -3.1123000000e-03 -7.4140000000e-04  2.7541000000e-03  2.6722000000e-03  2.6024000000e-03  4.0363000000e-03  1.9570000000e-04  1.1917000000e-03 -3.5817000000e-03 -1.0343000000e-03 -3.7936000000e-03 -4.6340000000e-04  8.4620000000e-04
+
+JOB 88
+COORDS  4.1487110000e+00 -4.4831060000e+00 -3.0161900000e-01  4.7894930000e+00 -3.9530750000e+00 -7.7564100000e-01  3.8729690000e+00 -5.1477100000e+00 -9.3288800000e-01 -4.1083120000e+00  4.5133470000e+00  3.5184900000e-01 -4.4158560000e+00  3.6502720000e+00  6.2888800000e-01 -4.9078830000e+00  5.0251780000e+00  2.2959200000e-01
+ENERGY -1.526540779030e+02
+FORCES  1.4939000000e-03 -5.0680000000e-04 -4.5140000000e-03 -2.6079000000e-03 -2.1867000000e-03  1.9322000000e-03  1.1174000000e-03  2.6957000000e-03  2.5797000000e-03 -4.4967000000e-03 -1.4605000000e-03  6.6110000000e-04  1.2343000000e-03  3.5375000000e-03 -1.1464000000e-03  3.2591000000e-03 -2.0792000000e-03  4.8740000000e-04
+
+JOB 89
+COORDS -4.8172950000e+00 -4.0599410000e+00  2.9504400000e-01 -4.3783540000e+00 -4.5115280000e+00 -4.2581000000e-01 -5.7400890000e+00 -4.0431180000e+00  4.1270000000e-02  4.9001800000e+00  4.1109700000e+00 -2.0690800000e-01  4.7200310000e+00  3.1987020000e+00 -4.3394300000e-01  4.1370870000e+00  4.5928410000e+00 -5.2584600000e-01
+ENERGY -1.526540934232e+02
+FORCES -2.0088000000e-03 -1.8147000000e-03 -3.9499000000e-03 -1.7705000000e-03  1.8689000000e-03  2.9314000000e-03  3.7772000000e-03 -5.5000000000e-05  1.0241000000e-03 -3.8786000000e-03 -1.7729000000e-03 -2.1876000000e-03  7.5470000000e-04  3.7264000000e-03  9.0140000000e-04  3.1260000000e-03 -1.9526000000e-03  1.2807000000e-03
+
+JOB 0
+COORDS -7.6200000000e-02 -6.6890900000e-01  1.0201340000e+00  8.3464100000e-01 -4.0317800000e-01  1.1465820000e+00 -2.2107000000e-02 -1.5768040000e+00  7.2175000000e-01  4.4986000000e-02  6.9895000000e-01 -1.0719360000e+00 -1.2195200000e-01  8.3837000000e-02 -3.5779400000e-01 -3.0610900000e-01  1.5322390000e+00 -7.5793700000e-01
+ENERGY -1.526532429773e+02
+FORCES  4.1883000000e-03  9.2915000000e-03 -1.4238700000e-02 -6.6717000000e-03 -7.3620000000e-04 -3.8328000000e-03  1.8120000000e-04  7.7621000000e-03 -1.5338000000e-03 -6.0611000000e-03 -1.4884900000e-02  2.5193300000e-02  6.7086000000e-03  1.0116000000e-03 -6.3180000000e-03  1.6547000000e-03 -2.4442000000e-03  7.2990000000e-04
+
+JOB 1
+COORDS -5.4358900000e-01  9.8094100000e-01  5.5551000000e-01 -1.6441100000e-01  1.6333450000e+00 -3.3407000000e-02  2.0830000000e-01  6.0526300000e-01  1.0135070000e+00  5.4195700000e-01 -9.9650600000e-01 -5.5938000000e-01  4.4117000000e-02 -1.8125520000e+00 -5.0981800000e-01 -1.0912400000e-01 -3.0922400000e-01 -4.1807300000e-01
+ENERGY -1.526543388448e+02
+FORCES  1.1833100000e-02 -1.0504700000e-02 -3.8186000000e-03 -1.9092000000e-03 -7.3275000000e-03  8.8960000000e-04 -5.6995000000e-03 -2.5280000000e-04 -6.3699000000e-03 -1.4299200000e-02  1.6556300000e-02  7.4809000000e-03 -9.4900000000e-05  4.2409000000e-03  1.3130000000e-03  1.0169700000e-02 -2.7122000000e-03  5.0500000000e-04
+
+JOB 2
+COORDS  6.0304900000e-01 -6.9802800000e-01  8.9284500000e-01 -2.1514400000e-01 -1.0502950000e+00  1.2431310000e+00  7.3370200000e-01  1.2276900000e-01  1.3676650000e+00 -5.3828200000e-01  7.1635700000e-01 -9.7971400000e-01 -2.6826600000e-01  4.1249300000e-01 -1.1311700000e-01 -1.3522330000e+00  2.4471800000e-01 -1.1565560000e+00
+ENERGY -1.526485600239e+02
+FORCES -4.2409000000e-03  3.8170000000e-03 -4.4163000000e-03  2.7819000000e-03  5.1960000000e-03 -5.6136000000e-03 -5.6985000000e-03 -2.5708000000e-03 -9.2319000000e-03  8.3181000000e-03 -1.4725200000e-02  1.2417900000e-02 -3.8988000000e-03  7.6890000000e-03  4.7712000000e-03  2.7383000000e-03  5.9400000000e-04  2.0727000000e-03
+
+JOB 3
+COORDS -1.1146220000e+00 -3.5767200000e-01 -3.6834500000e-01 -1.2116140000e+00 -1.0540010000e+00 -1.0179220000e+00 -2.0087300000e+00 -6.0193000000e-02 -2.0009100000e-01  1.2098180000e+00  3.4206200000e-01  3.5706200000e-01  2.5982800000e-01  4.5401000000e-01  3.2217300000e-01  1.4913580000e+00  9.0417600000e-01  1.0788630000e+00
+ENERGY -1.526554683752e+02
+FORCES  1.2251700000e-02 -6.5840000000e-04  3.5400000000e-05 -2.7974000000e-03  3.3571000000e-03  3.0757000000e-03  5.4316000000e-03 -8.7030000000e-04 -1.8870000000e-04 -1.4759600000e-02 -5.0847000000e-03 -4.8947000000e-03  4.4452000000e-03  4.9090000000e-03  4.1852000000e-03 -4.5715000000e-03 -1.6527000000e-03 -2.2130000000e-03
+
+JOB 4
+COORDS  9.1305600000e-01  4.2718700000e-01  9.3456100000e-01  4.7605000000e-01 -2.4806400000e-01  4.1562600000e-01  4.6336800000e-01  1.2388890000e+00  6.9971400000e-01 -8.4119100000e-01 -3.8470800000e-01 -9.0864500000e-01 -3.6451700000e-01 -1.2146160000e+00 -9.2493400000e-01 -1.6867290000e+00 -6.0127500000e-01 -5.1571100000e-01
+ENERGY -1.526519047944e+02
+FORCES -1.4399600000e-02 -7.4100000000e-05 -1.4042000000e-02  3.6391000000e-03 -9.0287000000e-03  1.7850000000e-04  2.3289000000e-03  2.8810000000e-04  3.2825000000e-03  2.2124000000e-03 -5.0520000000e-04  5.4444000000e-03  8.3410000000e-04  7.7573000000e-03  6.4942000000e-03  5.3851000000e-03  1.5627000000e-03 -1.3577000000e-03
+
+JOB 5
+COORDS -1.9890300000e-01 -7.8487800000e-01 -1.1189830000e+00 -4.6686600000e-01 -1.1393200000e-01 -4.9108200000e-01  5.2902000000e-01 -1.2363570000e+00 -6.9175300000e-01  1.2250300000e-01  7.5409800000e-01  1.0031610000e+00  9.8758000000e-02  4.9611500000e-01  1.9246340000e+00  9.1690300000e-01  1.2819160000e+00  9.2211100000e-01
+ENERGY -1.526571252243e+02
+FORCES  4.0259000000e-03  8.5429000000e-03  1.6535700000e-02 -2.7612000000e-03 -9.4570000000e-04 -5.2963000000e-03 -4.5790000000e-04 -7.2790000000e-04 -2.2922000000e-03  9.7260000000e-04 -4.5396000000e-03 -5.8433000000e-03  1.7739000000e-03  1.0823000000e-03 -4.7325000000e-03 -3.5532000000e-03 -3.4121000000e-03  1.6285000000e-03
+
+JOB 6
+COORDS  7.7358800000e-01 -9.8609700000e-01 -6.0861400000e-01  7.9959500000e-01 -3.3386700000e-01  9.1495000000e-02  4.5208000000e-02 -7.1138600000e-01 -1.1655950000e+00 -7.0290300000e-01  9.1140800000e-01  5.2975500000e-01 -1.1688980000e+00  2.9280500000e-01  1.0922600000e+00 -6.8413700000e-01  1.7257490000e+00  1.0324760000e+00
+ENERGY -1.526573471857e+02
+FORCES -8.9676000000e-03  1.4408600000e-02  3.8007000000e-03  3.4690000000e-03 -5.0926000000e-03  1.6446000000e-03  1.2323000000e-03 -3.7788000000e-03 -4.3870000000e-04 -2.5740000000e-04 -3.9164000000e-03 -1.9300000000e-05  3.6980000000e-03  3.4716000000e-03 -2.9568000000e-03  8.2570000000e-04 -5.0924000000e-03 -2.0305000000e-03
+
+JOB 7
+COORDS -5.4425100000e-01 -1.1009190000e+00  6.1231600000e-01 -1.4912750000e+00 -9.6202700000e-01  6.2163100000e-01 -1.8060400000e-01 -2.5730300000e-01  3.4342100000e-01  5.5191100000e-01  9.7420200000e-01 -5.7746200000e-01  4.4070100000e-01  1.4345070000e+00 -1.4093170000e+00  1.0566650000e+00  1.5792560000e+00 -3.3988000000e-02
+ENERGY -1.526578321900e+02
+FORCES  4.5786000000e-03  1.3596800000e-02 -8.7146000000e-03  2.7401000000e-03  4.3860000000e-04 -8.1280000000e-04 -1.1229000000e-03 -3.8403000000e-03  6.9883000000e-03 -4.4879000000e-03 -6.3498000000e-03  6.3580000000e-04  1.9190000000e-03 -3.1670000000e-04  4.7452000000e-03 -3.6268000000e-03 -3.5286000000e-03 -2.8420000000e-03
+
+JOB 8
+COORDS  4.7351400000e-01  5.8418000000e-02  1.1842440000e+00 -2.0824600000e-01 -2.0106000000e-02  1.8515290000e+00  9.9183700000e-01  8.1493100000e-01  1.4585810000e+00 -4.9281700000e-01 -5.7462000000e-02 -1.2441600000e+00 -8.0077000000e-02 -4.0458100000e-01 -4.5334700000e-01 -2.8088500000e-01 -6.9563700000e-01 -1.9253720000e+00
+ENERGY -1.526583307336e+02
+FORCES -3.3311000000e-03  4.8101000000e-03 -7.4958000000e-03  3.5308000000e-03  5.7150000000e-04 -3.2584000000e-03 -2.7730000000e-03 -3.6275000000e-03  1.1309000000e-03  5.9436000000e-03  4.3540000000e-04  1.2715000000e-02 -4.2856000000e-03 -3.6508000000e-03 -7.5692000000e-03  9.1530000000e-04  1.4613000000e-03  4.4774000000e-03
+
+JOB 9
+COORDS -1.1411390000e+00  4.8640800000e-01  4.0744400000e-01 -1.5008600000e+00  3.9798800000e-01  1.2900620000e+00 -1.5527860000e+00 -2.1931200000e-01 -9.1292000000e-02  1.1908520000e+00 -4.9712600000e-01 -4.4735400000e-01  1.8187060000e+00  1.9697800000e-01 -6.4798200000e-01  5.1245100000e-01 -6.4548000000e-02  7.1182000000e-02
+ENERGY -1.526604387411e+02
+FORCES  1.1585000000e-03 -4.8244000000e-03 -2.5703000000e-03  2.4095000000e-03 -4.7090000000e-04 -4.8736000000e-03  3.0802000000e-03  3.7410000000e-03  4.3469000000e-03 -1.1401300000e-02  8.6912000000e-03  5.6459000000e-03 -2.6452000000e-03 -1.2100000000e-03  1.3201000000e-03  7.3983000000e-03 -5.9269000000e-03 -3.8690000000e-03
+
+JOB 10
+COORDS -1.2375260000e+00  4.9125300000e-01  5.1817100000e-01 -1.6910240000e+00 -3.3713000000e-01  3.6211700000e-01 -6.0020900000e-01  5.5368500000e-01 -1.9327900000e-01  1.1704950000e+00 -4.5446800000e-01 -4.7587300000e-01  1.8107210000e+00 -1.1655910000e+00 -5.0131100000e-01  1.6897700000e+00  3.2970500000e-01 -2.9794500000e-01
+ENERGY -1.526553470482e+02
+FORCES  8.4657000000e-03 -9.2148000000e-03 -5.5296000000e-03 -4.2390000000e-04  2.7610000000e-03  1.2007000000e-03 -1.9753000000e-03  5.8524000000e-03  1.4347000000e-03  4.8950000000e-04  3.4590000000e-04  4.0763000000e-03 -2.4357000000e-03  3.3669000000e-03  8.4330000000e-04 -4.1203000000e-03 -3.1114000000e-03 -2.0254000000e-03
+
+JOB 11
+COORDS -1.1075250000e+00  8.3988900000e-01  3.2595500000e-01 -4.1758100000e-01  1.8521900000e-01  2.1817500000e-01 -1.9132110000e+00  3.2891700000e-01  4.0347800000e-01  1.0537580000e+00 -7.5731800000e-01 -3.1455100000e-01  1.6980880000e+00 -1.1346710000e+00  2.8434400000e-01  1.5453830000e+00 -5.8284100000e-01 -1.1171050000e+00
+ENERGY -1.526613870377e+02
+FORCES  7.9645000000e-03 -8.3328000000e-03 -2.7345000000e-03 -8.2448000000e-03  4.7991000000e-03  3.1525000000e-03  3.1402000000e-03  6.0790000000e-04 -3.1510000000e-04  5.0110000000e-04  3.3462000000e-03 -8.8190000000e-04 -2.5922000000e-03  1.7358000000e-03 -3.6735000000e-03 -7.6880000000e-04 -2.1562000000e-03  4.4525000000e-03
+
+JOB 12
+COORDS -3.3185900000e-01  1.3736910000e+00 -2.1196400000e-01 -3.8796800000e-01  4.1833300000e-01 -1.9262100000e-01 -9.1850600000e-01  1.6627460000e+00  4.8698200000e-01  4.1138200000e-01 -1.3030040000e+00  1.5196200000e-01  6.2120000000e-02 -2.1305650000e+00 -1.7878100000e-01 -1.1399600000e-01 -1.1144690000e+00  9.2956400000e-01
+ENERGY -1.526551642975e+02
+FORCES  1.8651000000e-03 -8.9511000000e-03 -6.9400000000e-05 -5.2157000000e-03  6.5723000000e-03  5.2120000000e-03  2.6115000000e-03 -3.5652000000e-03 -1.6066000000e-03 -6.0890000000e-04 -2.4935000000e-03  2.3710000000e-03  1.4051000000e-03  4.9858000000e-03  2.0418000000e-03 -5.7100000000e-05  3.4517000000e-03 -7.9487000000e-03
+
+JOB 13
+COORDS  6.0703000000e-02 -1.2583510000e+00  6.6282300000e-01 -2.2236100000e-01 -1.2936420000e+00 -2.5088500000e-01  1.0146010000e+00 -1.1940160000e+00  6.1623400000e-01 -1.5131800000e-01  1.2457950000e+00 -5.7398600000e-01 -6.6366000000e-02  1.8265280000e+00 -1.3301370000e+00  7.1839900000e-01  8.6013600000e-01 -4.6867000000e-01
+ENERGY -1.526509531456e+02
+FORCES -1.0255000000e-03  3.8902000000e-03 -5.6794000000e-03  3.3304000000e-03 -1.7751000000e-03  3.5592000000e-03 -3.8906000000e-03  2.9368000000e-03 -1.1149000000e-03  4.2249000000e-03 -8.2940000000e-04  2.0676000000e-03 -6.0980000000e-04 -4.2455000000e-03  3.6119000000e-03 -2.0295000000e-03  2.3100000000e-05 -2.4444000000e-03
+
+JOB 14
+COORDS -5.4040300000e-01 -5.9107300000e-01 -1.1229520000e+00 -1.0903700000e-01 -1.4411400000e+00 -1.2097960000e+00 -1.4712840000e+00 -8.0090400000e-01 -1.0476970000e+00  5.7681600000e-01  7.1184700000e-01  1.1356710000e+00  5.9869600000e-01 -2.6998000000e-02  1.7438330000e+00  3.4162600000e-01  3.2253300000e-01  2.9344000000e-01
+ENERGY -1.526601971174e+02
+FORCES -3.3418000000e-03 -2.1959000000e-03  1.4899000000e-03 -2.1515000000e-03  4.6568000000e-03  2.2673000000e-03  4.9952000000e-03 -3.8130000000e-04 -8.4740000000e-04 -5.2041000000e-03 -7.2077000000e-03 -8.5463000000e-03 -1.5390000000e-04  1.6764000000e-03 -2.0510000000e-03  5.8560000000e-03  3.4518000000e-03  7.6875000000e-03
+
+JOB 15
+COORDS  1.1339270000e+00 -5.6427800000e-01  6.6435900000e-01  1.8377710000e+00 -5.2517000000e-02  1.0630270000e+00  5.7887400000e-01  8.5797000000e-02  2.3360300000e-01 -1.1037170000e+00  5.5379700000e-01 -6.4911000000e-01 -8.8265600000e-01 -2.3279700000e-01 -1.1477420000e+00 -2.0031790000e+00  4.0740300000e-01 -3.5624500000e-01
+ENERGY -1.526601798479e+02
+FORCES -5.5392000000e-03  6.8679000000e-03 -1.5239000000e-03 -3.2324000000e-03 -7.1020000000e-04 -1.4898000000e-03  7.8725000000e-03 -6.4500000000e-03 -5.7950000000e-04 -3.5219000000e-03 -5.1607000000e-03  1.7454000000e-03  9.5370000000e-04  5.0766000000e-03  4.5598000000e-03  3.4673000000e-03  3.7640000000e-04 -2.7121000000e-03
+
+JOB 16
+COORDS -1.3495840000e+00 -5.5593700000e-01 -7.3241000000e-02 -4.6763900000e-01 -2.1903400000e-01  8.4564000000e-02 -1.7772400000e+00  1.2498200000e-01 -5.9255800000e-01  1.2783290000e+00  4.6980500000e-01  1.0434000000e-01  1.7184770000e+00  1.0966650000e+00  6.7840200000e-01  1.8499430000e+00  4.0239000000e-01 -6.6047600000e-01
+ENERGY -1.526613798336e+02
+FORCES  9.4687000000e-03  6.4245000000e-03 -1.1170000000e-04 -8.4749000000e-03 -3.7741000000e-03 -7.3350000000e-04  1.2707000000e-03 -1.8909000000e-03  1.2149000000e-03  7.4930000000e-04  3.6040000000e-04 -7.1890000000e-04 -9.9920000000e-04 -2.6912000000e-03 -3.8497000000e-03 -2.0145000000e-03  1.5713000000e-03  4.1989000000e-03
+
+JOB 17
+COORDS  3.1042600000e-01 -9.3950000000e-03 -1.3617430000e+00  3.9338200000e-01  8.8117000000e-01 -1.7026890000e+00 -4.8772600000e-01 -3.4821300000e-01 -1.7671890000e+00 -2.6048400000e-01 -5.6815000000e-02  1.4652640000e+00 -9.0317300000e-01  6.2805100000e-01  1.2804910000e+00  2.2192500000e-01 -1.6081300000e-01  6.4508200000e-01
+ENERGY -1.526598724133e+02
+FORCES -3.6428000000e-03  1.4779000000e-03 -2.0184000000e-03 -1.4811000000e-03 -4.2622000000e-03  2.1643000000e-03  3.7844000000e-03  2.7516000000e-03  1.8774000000e-03  1.2456000000e-03  2.2932000000e-03 -1.1995500000e-02  1.0543000000e-03 -1.6142000000e-03  1.1529000000e-03 -9.6040000000e-04 -6.4640000000e-04  8.8193000000e-03
+
+JOB 18
+COORDS  1.0918260000e+00 -4.8837700000e-01  8.5222600000e-01  1.6518030000e+00 -9.2013700000e-01  2.0705900000e-01  4.3707000000e-01 -2.5023000000e-02  3.2989600000e-01 -1.0248770000e+00  5.2133600000e-01 -7.7339100000e-01 -1.6666210000e+00  7.3272700000e-01 -1.4514090000e+00 -1.4149820000e+00 -2.0894500000e-01 -2.9303700000e-01
+ENERGY -1.526586798667e+02
+FORCES -1.8103000000e-03  4.1330000000e-03 -8.3905000000e-03 -1.7087000000e-03  8.7880000000e-04  2.3463000000e-03 -1.2610000000e-03 -6.5153000000e-03  5.7796000000e-03 -2.5002000000e-03 -7.7900000000e-04 -1.2008000000e-03  1.6932000000e-03 -2.2787000000e-03  3.4665000000e-03  5.5870000000e-03  4.5612000000e-03 -2.0012000000e-03
+
+JOB 19
+COORDS -1.8949900000e-01 -3.4485400000e-01 -1.4339160000e+00 -5.7813000000e-01 -1.2031320000e+00 -1.2649270000e+00 -4.9510400000e-01  2.0345300000e-01 -7.1128500000e-01  1.5814200000e-01  3.5347600000e-01  1.4122840000e+00  6.1515800000e-01 -8.4821000000e-02  6.9446500000e-01  8.0834600000e-01  9.5122500000e-01  1.7812870000e+00
+ENERGY -1.526585584572e+02
+FORCES -6.6915000000e-03  5.6010000000e-04  3.2654000000e-03  3.0551000000e-03  3.6815000000e-03  1.1410000000e-04  6.9932000000e-03 -5.2638000000e-03 -2.5504000000e-03  6.1670000000e-03 -3.2910000000e-04 -1.3129000000e-03 -7.1481000000e-03  4.2927000000e-03  2.5598000000e-03 -2.3756000000e-03 -2.9415000000e-03 -2.0760000000e-03
+
+JOB 20
+COORDS  1.2598950000e+00 -2.8359500000e-01 -7.5079200000e-01  4.6729200000e-01 -1.8738000000e-02 -2.8403400000e-01  1.0191360000e+00 -2.4052300000e-01 -1.6762170000e+00 -1.1483250000e+00  2.9924300000e-01  7.4369600000e-01 -1.6639060000e+00 -4.5170300000e-01  4.4960600000e-01 -1.4440610000e+00  4.5706400000e-01  1.6402810000e+00
+ENERGY -1.526607417960e+02
+FORCES -7.5843000000e-03  3.9963000000e-03  3.3040000000e-03  6.0912000000e-03 -4.2386000000e-03 -7.1383000000e-03 -3.1340000000e-04 -5.7920000000e-04  3.2956000000e-03 -1.3612000000e-03 -1.6454000000e-03  4.0827000000e-03  3.5637000000e-03  3.9908000000e-03  8.3790000000e-04 -3.9590000000e-04 -1.5240000000e-03 -4.3818000000e-03
+
+JOB 21
+COORDS  1.6235700000e-01 -4.6706100000e-01  1.4032580000e+00  5.3419700000e-01 -1.6415000000e-01  5.7487900000e-01  8.0658500000e-01 -1.0884280000e+00  1.7425310000e+00 -1.7025800000e-01  5.2654400000e-01 -1.3581280000e+00 -1.0973080000e+00  5.3134600000e-01 -1.1198290000e+00 -7.5036000000e-02 -2.3025400000e-01 -1.9364200000e+00
+ENERGY -1.526604436757e+02
+FORCES  3.0858000000e-03  1.9649000000e-03 -5.9097000000e-03  2.9390000000e-04 -4.5796000000e-03  8.7816000000e-03 -1.9780000000e-03  2.1290000000e-03 -2.6469000000e-03 -6.4851000000e-03 -2.6394000000e-03 -1.5970000000e-03  4.8447000000e-03  3.5900000000e-05 -2.1595000000e-03  2.3880000000e-04  3.0893000000e-03  3.5314000000e-03
+
+JOB 22
+COORDS  5.8260000000e-02  1.0875500000e+00 -1.0975990000e+00  8.6143700000e-01  1.4353260000e+00 -7.1005500000e-01 -2.0784400000e-01  3.8310200000e-01 -5.0669000000e-01 -9.9330000000e-02 -9.9838700000e-01  1.0059610000e+00 -1.5059300000e-01 -1.8536490000e+00  5.7919300000e-01  7.8845000000e-02 -1.1989650000e+00  1.9247940000e+00
+ENERGY -1.526603463895e+02
+FORCES  2.1546000000e-03 -4.7036000000e-03  8.9450000000e-03 -2.0255000000e-03  8.6800000000e-05 -1.9572000000e-03 -6.4160000000e-04  3.1711000000e-03 -7.6591000000e-03  8.0010000000e-04 -2.6499000000e-03  2.9501000000e-03  1.1960000000e-04  4.6600000000e-03  2.0313000000e-03 -4.0710000000e-04 -5.6440000000e-04 -4.3101000000e-03
+
+JOB 23
+COORDS  2.9015400000e-01 -1.4185190000e+00  9.1300000000e-04  8.9946300000e-01 -1.6987890000e+00 -6.8203900000e-01 -1.1554500000e-01 -2.2292700000e+00  3.0803400000e-01 -2.5529100000e-01  1.5180120000e+00  4.0919000000e-02 -4.6444000000e-01  6.0906400000e-01  2.5609800000e-01 -9.6247600000e-01  1.7956150000e+00 -5.4136800000e-01
+ENERGY -1.526595772715e+02
+FORCES  3.4767000000e-03 -3.4100000000e-03 -2.9386000000e-03 -3.1308000000e-03 -6.0140000000e-04  3.2976000000e-03  1.5575000000e-03  3.9967000000e-03 -1.7093000000e-03 -1.6496000000e-03 -7.3094000000e-03 -1.1564000000e-03 -2.6694000000e-03  8.6268000000e-03  7.3310000000e-04  2.4156000000e-03 -1.3028000000e-03  1.7736000000e-03
+
+JOB 24
+COORDS -3.1349400000e-01 -6.1559400000e-01 -1.3088470000e+00  6.0897600000e-01 -4.6863300000e-01 -1.5178530000e+00 -4.5204400000e-01 -1.5477240000e+00 -1.4766840000e+00  2.0538000000e-01  6.5033200000e-01  1.3305600000e+00  6.8580600000e-01  1.2639160000e+00  7.7473900000e-01  8.6562600000e-01  3.0141800000e-01  1.9293640000e+00
+ENERGY -1.526497396266e+02
+FORCES  3.4166000000e-03 -2.8938000000e-03  2.4598000000e-03 -3.3008000000e-03  6.2740000000e-04  6.4390000000e-04  5.7450000000e-04  3.7902000000e-03  7.9120000000e-04  2.9622000000e-03  1.6840000000e-04 -3.1539000000e-03 -8.3920000000e-04 -2.3739000000e-03  2.3427000000e-03 -2.8134000000e-03  6.8180000000e-04 -3.0837000000e-03
+
+JOB 25
+COORDS  1.0248740000e+00  1.0379950000e+00 -2.3715400000e-01  1.7120020000e+00  1.1962050000e+00  4.1019200000e-01  1.4796360000e+00  6.3324300000e-01 -9.7580000000e-01 -1.0636360000e+00 -1.0802860000e+00  2.5568200000e-01 -1.9305420000e+00 -8.2138900000e-01 -5.6853000000e-02 -5.7081300000e-01 -2.6103200000e-01  3.0235700000e-01
+ENERGY -1.526615550160e+02
+FORCES  5.9993000000e-03 -1.2849000000e-03 -1.7414000000e-03 -3.0924000000e-03 -1.0283000000e-03 -3.2456000000e-03 -1.5359000000e-03  2.6706000000e-03  3.7593000000e-03  2.4607000000e-03  7.4830000000e-03 -1.2989000000e-03  3.1378000000e-03 -5.5100000000e-04  7.4230000000e-04 -6.9695000000e-03 -7.2896000000e-03  1.7843000000e-03
+
+JOB 26
+COORDS  4.6038200000e-01 -8.7857600000e-01  1.0743630000e+00  9.0883200000e-01 -1.6109720000e+00  1.4971160000e+00 -1.3560600000e-01 -5.4325100000e-01  1.7441290000e+00 -4.9297200000e-01  9.4119600000e-01 -1.1652040000e+00  4.4902300000e-01  1.0923600000e+00 -1.0875720000e+00 -6.3608400000e-01  9.5329000000e-02 -7.4063400000e-01
+ENERGY -1.526594061917e+02
+FORCES  1.6090000000e-04 -1.6117000000e-03  5.2483000000e-03 -2.0094000000e-03  3.7661000000e-03 -1.3130000000e-03  2.4806000000e-03 -2.3667000000e-03 -3.7251000000e-03  6.0733000000e-03 -5.9489000000e-03  4.7348000000e-03 -3.1092000000e-03  1.5761000000e-03 -1.9175000000e-03 -3.5962000000e-03  4.5851000000e-03 -3.0276000000e-03
+
+JOB 27
+COORDS  4.2505200000e-01 -4.4083100000e-01 -1.4312370000e+00  8.6348000000e-02 -7.2536000000e-02 -6.1522800000e-01  3.9589400000e-01  2.8631600000e-01 -2.0530390000e+00 -3.5294500000e-01  3.3172800000e-01  1.4408700000e+00 -1.2503610000e+00  7.2689000000e-02  1.2316420000e+00 -3.3946900000e-01  1.2795050000e+00  1.3075730000e+00
+ENERGY -1.526579541737e+02
+FORCES -5.9130000000e-04  3.7522000000e-03  5.8313000000e-03 -1.1639000000e-03 -6.6320000000e-04 -1.0015800000e-02 -3.5330000000e-04 -2.0016000000e-03  3.2974000000e-03 -4.2575000000e-03  2.9154000000e-03  4.4014000000e-03  6.2031000000e-03  1.7379000000e-03 -1.5900000000e-03  1.6290000000e-04 -5.7406000000e-03 -1.9242000000e-03
+
+JOB 28
+COORDS  1.2600500000e+00 -7.4692900000e-01 -5.1401900000e-01  8.6520800000e-01  9.2565000000e-02 -2.7826000000e-01  1.6714150000e+00 -5.8847600000e-01 -1.3636680000e+00 -1.2372930000e+00  7.2260100000e-01  4.9646900000e-01 -1.0137170000e+00 -1.3850800000e-01  8.4965000000e-01 -1.9137300000e+00  1.0556110000e+00  1.0861890000e+00
+ENERGY -1.526593789240e+02
+FORCES -9.3950000000e-04  5.5703000000e-03 -3.4472000000e-03  3.1565000000e-03 -6.8574000000e-03  1.2870000000e-04 -1.1360000000e-03 -3.5380000000e-04  3.1456000000e-03 -3.7327000000e-03 -2.4413000000e-03  3.9134000000e-03  2.7310000000e-04  6.3729000000e-03 -1.3619000000e-03  2.3786000000e-03 -2.2907000000e-03 -2.3785000000e-03
+
+JOB 29
+COORDS -7.8479800000e-01 -1.0794540000e+00  6.6394500000e-01 -1.0863040000e+00 -1.9522260000e+00  9.1612600000e-01 -6.8521400000e-01 -6.1116000000e-01  1.4928080000e+00  8.4908200000e-01  1.0735830000e+00 -7.3315800000e-01  6.3522900000e-01  2.0034060000e+00 -8.1015400000e-01  3.0533000000e-02  6.6110900000e-01 -4.5734200000e-01
+ENERGY -1.526583598837e+02
+FORCES  1.0030000000e-04 -4.3139000000e-03  4.0043000000e-03  1.3630000000e-03  3.8064000000e-03  2.3010000000e-04 -1.3020000000e-03 -1.1017000000e-03 -4.8723000000e-03 -5.0291000000e-03 -1.7901000000e-03  1.5370000000e-04  3.2870000000e-04 -3.8085000000e-03  1.0341000000e-03  4.5391000000e-03  7.2078000000e-03 -5.5000000000e-04
+
+JOB 30
+COORDS -1.3032980000e+00 -1.1718700000e-01  7.6617000000e-01 -1.0483730000e+00  6.7461800000e-01  1.2397630000e+00 -2.1083530000e+00  1.2547900000e-01  3.0875100000e-01  1.3986010000e+00  6.6968000000e-02 -7.9109800000e-01  1.0808190000e+00  5.6401000000e-02  1.1175000000e-01  6.0438300000e-01  5.4443000000e-02 -1.3252260000e+00
+ENERGY -1.526566076369e+02
+FORCES -4.1590000000e-03  3.9672000000e-03  4.6680000000e-04  1.0326000000e-03 -4.3664000000e-03 -3.2225000000e-03  4.0648000000e-03 -9.6870000000e-04  1.6657000000e-03 -9.1298000000e-03 -2.5775000000e-03  3.1363000000e-03  4.3172000000e-03  2.7422000000e-03 -1.0225000000e-03  3.8742000000e-03  1.2032000000e-03 -1.0239000000e-03
+
+JOB 31
+COORDS -1.3774170000e+00  5.6042900000e-01 -1.8914800000e-01 -2.1890590000e+00  4.1178300000e-01  2.9600500000e-01 -1.6092490000e+00  1.2121010000e+00 -8.5082000000e-01  1.4356090000e+00 -6.3011100000e-01  2.4912500000e-01  2.0810380000e+00  1.7166000000e-02 -3.4927000000e-02  7.1136900000e-01 -5.3424900000e-01 -3.6935600000e-01
+ENERGY -1.526574318355e+02
+FORCES -5.1036000000e-03  1.8837000000e-03  1.8607000000e-03  3.0125000000e-03  1.4228000000e-03 -2.7189000000e-03  1.7938000000e-03 -3.1462000000e-03  2.7787000000e-03 -4.8817000000e-03  4.7689000000e-03 -2.9029000000e-03 -2.1214000000e-03 -2.1899000000e-03  7.6290000000e-04  7.3006000000e-03 -2.7393000000e-03  2.1950000000e-04
+
+JOB 32
+COORDS  1.5228400000e-01  1.3060540000e+00  7.6259700000e-01 -7.9501300000e-01  1.3310280000e+00  6.2755700000e-01  3.1902400000e-01  1.9823890000e+00  1.4191040000e+00 -1.2754400000e-01 -1.3756290000e+00 -7.2993800000e-01 -2.7482100000e-01 -4.4940900000e-01 -9.2140000000e-01  2.6812300000e-01 -1.7257270000e+00 -1.5281300000e+00
+ENERGY -1.526542531153e+02
+FORCES -2.4547000000e-03  2.5025000000e-03  4.4942000000e-03  4.9095000000e-03 -8.7820000000e-04 -2.1140000000e-03 -8.5570000000e-04 -3.0106000000e-03 -2.5842000000e-03  3.2226000000e-03  4.4613000000e-03 -2.3748000000e-03 -3.4558000000e-03 -4.3921000000e-03 -6.9620000000e-04 -1.3658000000e-03  1.3169000000e-03  3.2750000000e-03
+
+JOB 33
+COORDS  9.3923000000e-02 -1.4126450000e+00  7.2044300000e-01 -6.3550100000e-01 -1.6122220000e+00  1.3072490000e+00 -2.8553100000e-01 -8.4351300000e-01  5.0865000000e-02  5.6880000000e-03  1.3311660000e+00 -6.9863000000e-01  1.2906600000e-01  1.8920080000e+00 -1.4644410000e+00 -7.1371400000e-01  1.7385570000e+00 -2.1621500000e-01
+ENERGY -1.526574290195e+02
+FORCES -2.5788000000e-03  4.2067000000e-03 -2.8223000000e-03  2.4374000000e-03  1.6677000000e-03 -2.2188000000e-03 -1.2789000000e-03 -6.5470000000e-03  5.0794000000e-03 -4.1420000000e-04  5.9498000000e-03 -1.3342000000e-03 -7.2660000000e-04 -2.0001000000e-03  3.9173000000e-03  2.5611000000e-03 -3.2771000000e-03 -2.6214000000e-03
+
+JOB 34
+COORDS -3.5851300000e-01  1.0916330000e+00 -1.0513830000e+00 -3.4512100000e-01  2.5355200000e-01 -1.5136300000e+00 -8.9565200000e-01  1.6610130000e+00 -1.6023090000e+00  3.7962500000e-01 -1.1039330000e+00  1.0435910000e+00  7.5368300000e-01 -1.4552080000e+00  1.8516250000e+00  7.6744000000e-02 -2.2738600000e-01  1.2805730000e+00
+ENERGY -1.526583479298e+02
+FORCES -1.4061000000e-03 -2.3565000000e-03 -5.0130000000e-03 -1.0476000000e-03  5.2242000000e-03  6.4320000000e-04  2.2328000000e-03 -2.5525000000e-03  2.1383000000e-03  7.9200000000e-05  3.8765000000e-03  3.4383000000e-03 -1.5619000000e-03  1.8148000000e-03 -2.9753000000e-03  1.7036000000e-03 -6.0065000000e-03  1.7685000000e-03
+
+JOB 35
+COORDS -4.1302300000e-01  1.6100740000e+00  1.4780200000e-01 -4.6719600000e-01  9.0259900000e-01 -4.9467400000e-01  4.0706000000e-02  1.2210460000e+00  8.9547800000e-01  4.1766800000e-01 -1.4902360000e+00 -1.2256500000e-01 -4.9513800000e-01 -1.6371740000e+00 -3.7040900000e-01  8.7059200000e-01 -2.2900970000e+00 -3.8961100000e-01
+ENERGY -1.526573638862e+02
+FORCES  4.6552000000e-03 -6.9482000000e-03  4.3490000000e-04 -3.3843000000e-03  3.3306000000e-03  1.1635000000e-03 -2.6528000000e-03  3.6519000000e-03 -1.4701000000e-03 -6.0230000000e-04 -6.0313000000e-03 -1.8367000000e-03  4.4662000000e-03  2.7054000000e-03  4.1250000000e-04 -2.4819000000e-03  3.2917000000e-03  1.2959000000e-03
+
+JOB 36
+COORDS  1.6337170000e+00  4.8197000000e-02 -2.3665900000e-01  6.7721400000e-01  7.0049000000e-02 -2.0740800000e-01  1.8857920000e+00 -4.6127800000e-01  5.3348700000e-01 -1.5354780000e+00 -1.8771000000e-02  2.1731600000e-01 -2.1560000000e+00 -7.4729000000e-01  2.3841400000e-01 -1.9829690000e+00  6.6319600000e-01 -2.8358800000e-01
+ENERGY -1.526607402028e+02
+FORCES -6.6229000000e-03 -2.1110000000e-03  4.0490000000e-03  8.7952000000e-03  1.4038000000e-03 -2.1603000000e-03 -1.2160000000e-04  1.3823000000e-03 -2.6182000000e-03 -6.4047000000e-03 -8.7460000000e-04 -1.3873000000e-03  2.1003000000e-03  3.8050000000e-03 -2.7000000000e-06  2.2536000000e-03 -3.6056000000e-03  2.1195000000e-03
+
+JOB 37
+COORDS  2.7717800000e-01 -5.3691300000e-01  1.4813950000e+00 -9.9440000000e-02 -1.2856130000e+00  1.0189680000e+00  1.1866390000e+00 -7.8764500000e-01  1.6434080000e+00 -3.7334300000e-01  6.0267700000e-01 -1.4738370000e+00  1.9425800000e-01  9.4716800000e-01 -7.8435400000e-01  2.0411600000e-01  6.0978000000e-02 -2.0117350000e+00
+ENERGY -1.526565144400e+02
+FORCES -2.6940000000e-04 -5.6225000000e-03 -8.5130000000e-04  2.9299000000e-03  2.5182000000e-03  2.9472000000e-03 -3.7218000000e-03  1.8149000000e-03 -1.9535000000e-03  4.9993000000e-03 -1.4730000000e-04  3.6188000000e-03 -1.5706000000e-03  1.2170000000e-04 -6.1664000000e-03 -2.3674000000e-03  1.3149000000e-03  2.4053000000e-03
+
+JOB 38
+COORDS -7.5040500000e-01  2.4489000000e-02  1.3681490000e+00 -9.0821800000e-01 -7.7174700000e-01  1.8754310000e+00 -6.2597900000e-01  7.0789900000e-01  2.0267090000e+00  7.9863600000e-01  3.2985000000e-02 -1.4363840000e+00  7.0033900000e-01 -7.3304100000e-01 -2.0018700000e+00  1.0522800000e-01 -6.0373000000e-02 -7.8316000000e-01
+ENERGY -1.526598112314e+02
+FORCES  6.3480000000e-04  6.3110000000e-04  6.3310000000e-03  5.4110000000e-04  3.5525000000e-03 -2.1197000000e-03 -1.1747000000e-03 -3.6262000000e-03 -1.9380000000e-03 -4.3337000000e-03 -2.4332000000e-03  3.6831000000e-03  1.9420000000e-04  2.3636000000e-03  2.3465000000e-03  4.1383000000e-03 -4.8780000000e-04 -8.3030000000e-03
+
+JOB 39
+COORDS  2.6020000000e-03 -1.4514100000e+00  8.1112200000e-01  2.0157600000e-01 -1.3127630000e+00  1.7370910000e+00 -9.8111000000e-02 -5.6960300000e-01  4.5264700000e-01 -5.1113000000e-02  1.3669180000e+00 -8.0020000000e-01  7.6587500000e-01  1.0096240000e+00 -1.1482010000e+00 -1.7614300000e-01  2.1877830000e+00 -1.2764130000e+00
+ENERGY -1.526592565333e+02
+FORCES -1.5120000000e-03  5.9346000000e-03  1.7611000000e-03 -5.2890000000e-04 -6.9320000000e-04 -3.3033000000e-03  3.4940000000e-03 -7.2734000000e-03  2.0968000000e-03  1.4721000000e-03  4.3270000000e-03 -4.9432000000e-03 -4.5056000000e-03  1.1100000000e-03  2.9744000000e-03  1.5804000000e-03 -3.4050000000e-03  1.4142000000e-03
+
+JOB 40
+COORDS  1.5242700000e-01  1.5959200000e-01 -1.6644910000e+00  7.8454000000e-01  8.7335100000e-01 -1.5795640000e+00  3.1702200000e-01 -3.9845400000e-01 -9.0440900000e-01 -1.7119700000e-01 -2.0206700000e-01  1.5720630000e+00 -3.1394500000e-01 -4.3369400000e-01  2.4897800000e+00 -4.8479100000e-01  6.9947100000e-01  1.5005160000e+00
+ENERGY -1.526586151193e+02
+FORCES  3.3942000000e-03 -1.2283000000e-03  5.0932000000e-03 -2.8684000000e-03 -1.9380000000e-03 -2.5740000000e-04 -8.6700000000e-05  2.9507000000e-03 -6.6798000000e-03 -3.0665000000e-03  2.4847000000e-03  4.6312000000e-03  2.9850000000e-04  1.6838000000e-03 -3.7419000000e-03  2.3289000000e-03 -3.9530000000e-03  9.5470000000e-04
+
+JOB 41
+COORDS -9.7577100000e-01  1.0197060000e+00 -7.4535700000e-01 -1.9084510000e+00  8.8165900000e-01 -9.1053200000e-01 -6.0349000000e-01  1.2010880000e+00 -1.6083400000e+00  1.0401740000e+00 -1.0479150000e+00  7.5697100000e-01  1.2499140000e+00 -9.4100400000e-01  1.6847700000e+00  1.8131700000e-01 -6.3749100000e-01  6.5624000000e-01
+ENERGY -1.526590663463e+02
+FORCES -1.3124000000e-03  1.8285000000e-03 -6.4373000000e-03  4.3259000000e-03  1.4520000000e-04  1.0951000000e-03 -2.8378000000e-03 -2.2410000000e-04  3.4770000000e-03 -4.0730000000e-03  4.3420000000e-03  1.3703000000e-03 -9.5380000000e-04 -3.2270000000e-04 -3.2858000000e-03  4.8510000000e-03 -5.7688000000e-03  3.7808000000e-03
+
+JOB 42
+COORDS  1.0435400000e+00 -1.1563020000e+00  6.9935900000e-01  1.5972200000e-01 -1.3797280000e+00  4.0750700000e-01  9.9583100000e-01 -2.2576100000e-01  9.1856200000e-01 -9.6180000000e-01  1.0729600000e+00 -7.0278600000e-01 -1.8834090000e+00  1.2433490000e+00 -8.9730400000e-01 -6.4015700000e-01  1.8927500000e+00 -3.2765600000e-01
+ENERGY -1.526564633749e+02
+FORCES -6.2445000000e-03  4.9291000000e-03 -2.9087000000e-03  3.7751000000e-03 -2.1792000000e-03  2.4120000000e-03  2.2511000000e-03 -2.6819000000e-03  1.0934000000e-03 -2.9833000000e-03  5.2161000000e-03 -7.8570000000e-04  4.1753000000e-03 -9.3390000000e-04  9.3810000000e-04 -9.7380000000e-04 -4.3502000000e-03 -7.4900000000e-04
+
+JOB 43
+COORDS  5.9112800000e-01  1.2844140000e+00 -9.2047300000e-01  9.9049000000e-02  1.6493440000e+00 -1.6559430000e+00  1.0344200000e-01  4.9933500000e-01 -6.7138500000e-01 -4.7608400000e-01 -1.2327440000e+00  9.5360600000e-01 -7.5720300000e-01 -1.8035950000e+00  2.3853000000e-01 -1.2440820000e+00 -1.1623450000e+00  1.5205760000e+00
+ENERGY -1.526573476686e+02
+FORCES -3.7675000000e-03 -3.1978000000e-03  9.6800000000e-04  1.4688000000e-03 -1.8727000000e-03  2.9507000000e-03  2.0815000000e-03  5.1575000000e-03 -6.3708000000e-03 -4.6244000000e-03 -4.1528000000e-03  3.3394000000e-03  1.4520000000e-03  4.9070000000e-03  2.0726000000e-03  3.3896000000e-03 -8.4120000000e-04 -2.9599000000e-03
+
+JOB 44
+COORDS -7.0272900000e-01  1.4210910000e+00  3.6534800000e-01  9.3941000000e-02  1.9384070000e+00  2.4730200000e-01 -1.1882860000e+00  1.8810540000e+00  1.0501100000e+00  6.8149500000e-01 -1.5321220000e+00 -3.6683200000e-01  1.1129100000e+00 -7.2604200000e-01 -8.3374000000e-02  3.4167100000e-01 -1.3287850000e+00 -1.2382710000e+00
+ENERGY -1.526542118274e+02
+FORCES -6.1020000000e-04  4.3187000000e-03  3.4842000000e-03 -2.4737000000e-03 -3.9743000000e-03  7.7500000000e-05  2.2054000000e-03 -1.7002000000e-03 -3.1768000000e-03 -2.7074000000e-03  6.6615000000e-03 -1.2235000000e-03  1.2719000000e-03 -3.5074000000e-03 -1.6629000000e-03  2.3140000000e-03 -1.7982000000e-03  2.5015000000e-03
+
+JOB 45
+COORDS -1.4357040000e+00 -4.3988200000e-01  8.0503700000e-01 -4.8850200000e-01 -4.8494700000e-01  9.3546200000e-01 -1.8067680000e+00 -7.2740600000e-01  1.6392270000e+00  1.3997650000e+00  5.0261500000e-01 -8.0696200000e-01  6.7334500000e-01  2.3113000000e-02 -1.2052380000e+00  2.1649410000e+00  2.5270200000e-01 -1.3249200000e+00
+ENERGY -1.526575034302e+02
+FORCES  2.6413000000e-03 -2.9870000000e-04  5.0820000000e-03 -6.0527000000e-03 -1.5583000000e-03 -1.5379000000e-03  1.6239000000e-03  1.1169000000e-03 -3.1157000000e-03  4.9530000000e-04 -1.6741000000e-03 -5.8113000000e-03  4.6384000000e-03  1.3089000000e-03  3.3754000000e-03 -3.3461000000e-03  1.1053000000e-03  2.0076000000e-03
+
+JOB 46
+COORDS  3.2528700000e-01 -1.7180470000e+00 -4.7514000000e-02  2.2990500000e-01 -7.6605600000e-01 -1.8413000000e-02  9.8756300000e-01 -1.8724000000e+00 -7.2115900000e-01 -2.9556700000e-01  1.6597470000e+00  1.0802700000e-01 -6.3305900000e-01  1.4521420000e+00 -7.6331100000e-01 -1.0164990000e+00  2.1157520000e+00  5.4225000000e-01
+ENERGY -1.526581309443e+02
+FORCES  2.7090000000e-03  4.8738000000e-03 -5.0210000000e-04  1.2830000000e-04 -7.6029000000e-03 -3.2648000000e-03 -2.8469000000e-03  8.1620000000e-04  2.1439000000e-03 -5.8548000000e-03  4.5099000000e-03 -4.6670000000e-04  2.6507000000e-03 -1.1488000000e-03  4.6698000000e-03  3.2137000000e-03 -1.4482000000e-03 -2.5801000000e-03
+
+JOB 47
+COORDS -9.3444600000e-01 -2.6998100000e-01  1.3722290000e+00 -1.6517660000e+00 -2.3173500000e-01  2.0048600000e+00 -3.7419500000e-01  4.7210800000e-01  1.5995040000e+00  9.9636700000e-01  2.2810800000e-01 -1.3877070000e+00  1.1421400000e-01  3.7555200000e-01 -1.0466800000e+00  8.6804500000e-01  6.2711000000e-02 -2.3217350000e+00
+ENERGY -1.526567841323e+02
+FORCES -3.8710000000e-04  2.0753000000e-03  5.8154000000e-03  3.2877000000e-03 -1.7930000000e-04 -2.5453000000e-03 -3.6393000000e-03 -2.8134000000e-03 -2.2564000000e-03 -5.2197000000e-03 -1.7111000000e-03 -1.6662000000e-03  5.4870000000e-03  1.9406000000e-03 -2.8187000000e-03  4.7140000000e-04  6.8800000000e-04  3.4711000000e-03
+
+JOB 48
+COORDS  8.4166300000e-01 -1.4605510000e+00 -1.6463500000e-01  1.3059030000e+00 -1.6553710000e+00 -9.7873400000e-01  1.5267310000e+00 -1.1751470000e+00  4.3989700000e-01 -8.5662300000e-01  1.5073630000e+00  1.5723500000e-01 -7.3905300000e-01  5.6134600000e-01  7.0865000000e-02 -1.7254800000e+00  1.6066760000e+00  5.4641000000e-01
+ENERGY -1.526594111302e+02
+FORCES  6.7570000000e-03 -9.9360000000e-04 -1.4979000000e-03 -1.6864000000e-03  5.2290000000e-04  3.7977000000e-03 -3.3212000000e-03 -1.4715000000e-03 -2.8231000000e-03 -2.0324000000e-03 -5.1429000000e-03  3.9020000000e-04 -2.9537000000e-03  7.6274000000e-03  1.5125000000e-03  3.2367000000e-03 -5.4230000000e-04 -1.3794000000e-03
+
+JOB 49
+COORDS -3.8895700000e-01 -1.4142910000e+00 -1.0184310000e+00  1.2683400000e-01 -8.9221800000e-01 -4.0391400000e-01 -6.9522700000e-01 -7.8409700000e-01 -1.6705710000e+00  4.1162400000e-01  1.3388360000e+00  9.5877700000e-01 -5.1394800000e-01  1.5373370000e+00  1.1007120000e+00  7.9369200000e-01  1.3355530000e+00  1.8364130000e+00
+ENERGY -1.526588641066e+02
+FORCES  2.3730000000e-03  6.4126000000e-03  7.8870000000e-04 -3.0071000000e-03 -5.6824000000e-03 -3.8498000000e-03  2.7730000000e-04 -2.6315000000e-03  2.0885000000e-03 -2.0546000000e-03  3.0793000000e-03  5.8517000000e-03  4.3600000000e-03 -1.1561000000e-03 -9.9080000000e-04 -1.9486000000e-03 -2.1900000000e-05 -3.8883000000e-03
+
+JOB 50
+COORDS  6.9362700000e-01 -1.6366170000e+00  2.6229200000e-01  5.6190900000e-01 -7.4634600000e-01  5.8833000000e-01 -1.5774400000e-01 -2.0604010000e+00  3.7095000000e-01 -6.0339500000e-01  1.6579380000e+00 -2.5955300000e-01 -4.8248500000e-01  7.3044500000e-01 -4.6294500000e-01 -1.5178400000e+00  1.8348150000e+00 -4.8031800000e-01
+ENERGY -1.526544498739e+02
+FORCES -2.3261000000e-03  1.8640000000e-04  4.6306000000e-03 -1.5255000000e-03 -3.4899000000e-03 -5.4037000000e-03  3.5657000000e-03  2.6575000000e-03 -1.3605000000e-03 -3.9671000000e-03 -1.9787000000e-03 -3.9019000000e-03  2.5110000000e-04  3.4664000000e-03  5.0453000000e-03  4.0020000000e-03 -8.4170000000e-04  9.9010000000e-04
+
+JOB 51
+COORDS -1.6692700000e-01 -1.2417060000e+00 -1.2511240000e+00 -7.0282000000e-01 -5.6823000000e-01 -8.3221900000e-01 -7.3426400000e-01 -2.0118100000e+00 -1.2871720000e+00  1.7510100000e-01  1.2033020000e+00  1.2157810000e+00  1.0743700000e-01  2.1571470000e+00  1.2585970000e+00  1.0811090000e+00  1.0157280000e+00  1.4611340000e+00
+ENERGY -1.526574291800e+02
+FORCES -4.2745000000e-03  1.2307000000e-03  2.9358000000e-03  8.2250000000e-04 -4.8519000000e-03 -4.4586000000e-03  2.1525000000e-03  2.9278000000e-03  2.1710000000e-04  5.0432000000e-03  3.0153000000e-03  1.8025000000e-03  2.1130000000e-04 -4.0512000000e-03 -2.5640000000e-04 -3.9549000000e-03  1.7292000000e-03 -2.4030000000e-04
+
+JOB 52
+COORDS  1.0930940000e+00  1.3206840000e+00 -8.9488000000e-02  1.6667760000e+00  1.7463490000e+00  5.4763800000e-01  6.7611500000e-01  2.0439180000e+00 -5.5777600000e-01 -1.1538490000e+00 -1.3656220000e+00  9.8056000000e-02 -2.9129800000e-01 -1.0601040000e+00  3.7894100000e-01 -9.6903900000e-01 -2.0190730000e+00 -5.7653900000e-01
+ENERGY -1.526574609708e+02
+FORCES -1.5220000000e-04  6.2528000000e-03 -2.0910000000e-04 -2.5166000000e-03 -2.0421000000e-03 -2.6206000000e-03  2.7230000000e-03 -2.4593000000e-03  2.0436000000e-03  5.6976000000e-03  6.7000000000e-04 -1.6993000000e-03 -4.8277000000e-03 -4.6776000000e-03  6.1600000000e-05 -9.2410000000e-04  2.2563000000e-03  2.4238000000e-03
+
+JOB 53
+COORDS -2.9802000000e-01 -1.5817220000e+00  6.0083600000e-01 -3.2455100000e-01 -2.5380070000e+00  5.6850700000e-01 -9.8609200000e-01 -1.3434190000e+00  1.2221250000e+00  3.9242800000e-01  1.6558970000e+00 -6.4570600000e-01  3.0815800000e-01  7.7993300000e-01 -2.6911800000e-01 -5.0526200000e-01  1.9152000000e+00 -8.5342200000e-01
+ENERGY -1.526582158054e+02
+FORCES -2.3639000000e-03 -5.8932000000e-03  2.5599000000e-03 -5.6870000000e-04  3.9569000000e-03  8.5990000000e-04  3.0514000000e-03 -2.9680000000e-04 -3.3851000000e-03 -3.3819000000e-03 -4.8135000000e-03  5.0540000000e-04  1.6690000000e-04  7.6553000000e-03 -1.5805000000e-03  3.0963000000e-03 -6.0870000000e-04  1.0404000000e-03
+
+JOB 54
+COORDS  1.8535600000e-01  1.1986900000e-01  1.7546980000e+00  2.5407400000e-01 -7.8733200000e-01  1.4572160000e+00  9.3627700000e-01  2.3929800000e-01  2.3361500000e+00 -2.8740600000e-01 -7.1741000000e-02 -1.7473760000e+00 -5.0286000000e-02 -5.7319700000e-01 -2.5274710000e+00  5.4727100000e-01  2.4751000000e-01 -1.4044130000e+00
+ENERGY -1.526549804366e+02
+FORCES  1.5866000000e-03 -4.0704000000e-03  1.8849000000e-03  1.0436000000e-03  4.1358000000e-03  1.9297000000e-03 -2.9428000000e-03 -3.5400000000e-04 -3.0738000000e-03  4.1902000000e-03  1.0451000000e-03 -1.4673000000e-03 -9.2470000000e-04  1.8199000000e-03  3.6632000000e-03 -2.9529000000e-03 -2.5764000000e-03 -2.9367000000e-03
+
+JOB 55
+COORDS  1.4698570000e+00 -2.0267600000e-01  1.1159270000e+00  1.3931120000e+00  2.7114900000e-01  2.8777700000e-01  6.0545200000e-01 -1.2265100000e-01  1.5192020000e+00 -1.4165130000e+00  2.1343100000e-01 -1.0452040000e+00 -9.1565700000e-01  1.9943600000e-01 -1.8607900000e+00 -1.9599230000e+00 -5.7362200000e-01 -1.0837520000e+00
+ENERGY -1.526566322189e+02
+FORCES -6.2104000000e-03  2.8548000000e-03 -2.6560000000e-03  2.5978000000e-03 -1.7729000000e-03  2.5997000000e-03  4.3376000000e-03 -9.4720000000e-04  3.2500000000e-04 -1.5119000000e-03 -4.0467000000e-03 -4.4538000000e-03 -1.4061000000e-03  3.3630000000e-04  4.0275000000e-03  2.1932000000e-03  3.5757000000e-03  1.5760000000e-04
+
+JOB 56
+COORDS -7.6029100000e-01  1.8396600000e-01 -1.6334680000e+00 -2.7096800000e-01  1.0011620000e+00 -1.5386740000e+00 -1.1810900000e-01 -4.4307700000e-01 -1.9661110000e+00  7.7135000000e-01 -1.9467100000e-01  1.6382780000e+00  9.9970000000e-02 -4.6300000000e-01  1.0109970000e+00  2.7920600000e-01  1.2693500000e-01  2.3936560000e+00
+ENERGY -1.526578546248e+02
+FORCES  4.8515000000e-03  2.1265000000e-03 -3.5776000000e-03 -2.6409000000e-03 -3.8809000000e-03 -3.7130000000e-04 -3.0818000000e-03  2.4245000000e-03  2.3382000000e-03 -5.8023000000e-03 -7.0500000000e-05  3.8200000000e-05  4.6667000000e-03  4.9450000000e-04  4.4592000000e-03  2.0067000000e-03 -1.0940000000e-03 -2.8866000000e-03
+
+JOB 57
+COORDS -6.8642500000e-01  1.7342710000e+00 -1.1752200000e-01 -1.0810860000e+00  1.3278360000e+00  6.5402500000e-01 -9.4068400000e-01  1.1660470000e+00 -8.4464300000e-01  7.4937200000e-01 -1.6448730000e+00  6.1636000000e-02  6.3347700000e-01 -2.5911620000e+00  1.4729200000e-01  4.0012300000e-01 -1.2855230000e+00  8.7718800000e-01
+ENERGY -1.526542531593e+02
+FORCES -2.1109000000e-03 -4.5664000000e-03 -1.2262000000e-03  2.0975000000e-03  1.0929000000e-03 -2.3382000000e-03 -4.2500000000e-05  3.4938000000e-03  3.2478000000e-03 -4.0420000000e-04 -2.5199000000e-03  4.2766000000e-03  2.8610000000e-04  4.2683000000e-03 -4.6820000000e-04  1.7390000000e-04 -1.7688000000e-03 -3.4918000000e-03
+
+JOB 58
+COORDS -1.1279540000e+00 -4.1268500000e-01 -1.4787340000e+00 -2.7742200000e-01 -6.0280200000e-01 -1.8745650000e+00 -1.0169870000e+00  4.4709700000e-01 -1.0729100000e+00  1.1259680000e+00  4.1822400000e-01  1.4641530000e+00  7.5299700000e-01  1.8830100000e-01  2.3151880000e+00  6.4947000000e-01 -1.2697600000e-01  8.3810400000e-01
+ENERGY -1.526561694530e+02
+FORCES  2.4883000000e-03  3.9464000000e-03 -2.9881000000e-03 -3.6248000000e-03  4.7950000000e-04  3.1250000000e-03  4.6600000000e-05 -5.4164000000e-03 -7.4430000000e-04 -3.5170000000e-03 -4.2813000000e-03  1.9751000000e-03  1.6653000000e-03  1.1509000000e-03 -3.4528000000e-03  2.9416000000e-03  4.1210000000e-03  2.0850000000e-03
+
+JOB 59
+COORDS -2.8682300000e-01  1.6089610000e+00 -9.6812600000e-01 -5.3591100000e-01  1.5325730000e+00 -4.7066000000e-02 -8.7273500000e-01  2.2789070000e+00 -1.3204200000e+00  2.7382600000e-01 -1.6749920000e+00  9.6412000000e-01  8.7929900000e-01 -1.1301090000e+00  1.4668500000e+00  5.6279000000e-01 -1.5802780000e+00  5.6507000000e-02
+ENERGY -1.526560770332e+02
+FORCES -4.3710000000e-03  2.5530000000e-03  2.2166000000e-03  1.9006000000e-03  1.0909000000e-03 -3.9716000000e-03  2.3706000000e-03 -2.6481000000e-03  1.5719000000e-03  4.2387000000e-03  1.9483000000e-03 -2.8098000000e-03 -3.0873000000e-03 -1.6971000000e-03 -1.6601000000e-03 -1.0517000000e-03 -1.2470000000e-03  4.6530000000e-03
+
+JOB 60
+COORDS -9.9111300000e-01  1.5226860000e+00 -3.9859900000e-01 -1.0203700000e+00  1.5822930000e+00 -1.3534940000e+00 -9.0870100000e-01  2.4296680000e+00 -1.0394100000e-01  9.9895000000e-01 -1.6417210000e+00  4.0069800000e-01  1.6213610000e+00 -1.2549750000e+00  1.0165420000e+00  2.4934800000e-01 -1.0465640000e+00  4.1153000000e-01
+ENERGY -1.526575087416e+02
+FORCES -2.3740000000e-04  5.1466000000e-03 -3.4512000000e-03 -2.2900000000e-05  1.8800000000e-05  4.2524000000e-03 -3.1710000000e-04 -3.7366000000e-03 -1.3987000000e-03 -1.5226000000e-03  5.4644000000e-03  2.2208000000e-03 -1.8967000000e-03 -1.8117000000e-03 -2.1147000000e-03  3.9966000000e-03 -5.0816000000e-03  4.9140000000e-04
+
+JOB 61
+COORDS  9.2717100000e-01  1.5332960000e+00  7.3153800000e-01  1.7121520000e+00  9.9685200000e-01  8.4228600000e-01  1.1342320000e+00  2.1132160000e+00 -1.2990000000e-03 -9.8524600000e-01 -1.4755100000e+00 -7.3196500000e-01 -1.3837840000e+00 -2.3137610000e+00 -9.6591700000e-01 -5.5990900000e-01 -1.6386460000e+00  1.0988300000e-01
+ENERGY -1.526540395074e+02
+FORCES  3.5603000000e-03  6.2430000000e-04 -3.8800000000e-03 -3.4431000000e-03  1.6168000000e-03  3.8000000000e-06 -3.3330000000e-04 -1.8913000000e-03  3.4551000000e-03 -4.3400000000e-05 -3.2136000000e-03  3.3936000000e-03  1.6953000000e-03  3.5775000000e-03  8.5810000000e-04 -1.4357000000e-03 -7.1380000000e-04 -3.8306000000e-03
+
+JOB 62
+COORDS -1.4771700000e+00 -4.1546400000e-01 -1.3648200000e+00 -1.6811920000e+00 -1.3455150000e+00 -1.4628600000e+00 -5.7875200000e-01 -4.0033200000e-01 -1.0349000000e+00  1.3813520000e+00  4.4581800000e-01  1.3499070000e+00  1.8385470000e+00  7.8531800000e-01  5.8052800000e-01  1.9513230000e+00  6.6920100000e-01  2.0857500000e+00
+ENERGY -1.526549987880e+02
+FORCES  2.9746000000e-03 -3.7939000000e-03  2.5612000000e-03  6.4650000000e-04  3.6506000000e-03  3.7000000000e-05 -3.4065000000e-03  1.6800000000e-04 -3.4457000000e-03  4.6050000000e-03  3.1704000000e-03  1.4845000000e-03 -2.6481000000e-03 -2.3366000000e-03  2.5489000000e-03 -2.1716000000e-03 -8.5850000000e-04 -3.1859000000e-03
+
+JOB 63
+COORDS  1.9237610000e+00 -7.3442500000e-01  8.8920000000e-03  2.4198050000e+00 -3.2415700000e-01 -6.9952400000e-01  1.6629440000e+00 -5.9630000000e-03  5.7240800000e-01 -1.9520720000e+00  6.5248800000e-01 -5.8291000000e-02 -1.8997010000e+00  1.5731340000e+00  1.9842100000e-01 -1.7005020000e+00  1.6921100000e-01  7.2872000000e-01
+ENERGY -1.526536639994e+02
+FORCES  4.5750000000e-04  4.9399000000e-03 -1.7751000000e-03 -1.5404000000e-03 -1.7007000000e-03  3.1522000000e-03  9.5960000000e-04 -3.0887000000e-03 -1.4084000000e-03  6.1530000000e-04  8.2380000000e-04  4.0468000000e-03  4.1880000000e-04 -3.8275000000e-03 -1.0782000000e-03 -9.1090000000e-04  2.8532000000e-03 -2.9373000000e-03
+
+JOB 64
+COORDS -1.4365720000e+00 -6.5149000000e-02 -1.6399070000e+00 -9.0587200000e-01 -3.2697000000e-01 -8.8755200000e-01 -9.8990300000e-01  7.0454400000e-01 -1.9924550000e+00  1.4195350000e+00  1.9208000000e-02  1.6679470000e+00  1.4080730000e+00 -4.0940700000e-01  8.1214900000e-01  6.8700900000e-01  6.3462400000e-01  1.6379570000e+00
+ENERGY -1.526526753069e+02
+FORCES  3.2841000000e-03  1.9772000000e-03  8.2990000000e-04 -1.2330000000e-03  1.5734000000e-03 -2.7507000000e-03 -1.7370000000e-03 -3.4930000000e-03  2.0343000000e-03 -2.0790000000e-03  9.0230000000e-04 -2.4963000000e-03 -1.3389000000e-03  2.2605000000e-03  3.2147000000e-03  3.1037000000e-03 -3.2204000000e-03 -8.3190000000e-04
+
+JOB 65
+COORDS -6.5936100000e-01  1.3721960000e+00 -1.4645830000e+00 -1.3102800000e+00  2.0735330000e+00 -1.4388500000e+00 -1.1716010000e+00  5.6665800000e-01 -1.3942150000e+00  7.7077700000e-01 -1.3591620000e+00  1.4098730000e+00  3.7453000000e-02 -7.8535700000e-01  1.6317200000e+00  6.8878700000e-01 -2.0976100000e+00  2.0133660000e+00
+ENERGY -1.526538725055e+02
+FORCES -4.3215000000e-03 -7.5210000000e-04 -5.1450000000e-04  2.7364000000e-03 -2.9930000000e-03  1.9660000000e-04  1.6287000000e-03  3.8252000000e-03  2.1670000000e-04 -2.7669000000e-03 -2.3000000000e-06  3.6054000000e-03  2.4501000000e-03 -3.1475000000e-03 -8.8300000000e-04  2.7310000000e-04  3.0696000000e-03 -2.6213000000e-03
+
+JOB 66
+COORDS -1.8788360000e+00 -9.3494900000e-01  6.8262000000e-01 -2.4162120000e+00 -6.0832800000e-01 -3.9029000000e-02 -1.6990990000e+00 -1.6151800000e-01  1.2171570000e+00  1.8507810000e+00  8.9919200000e-01 -7.1272700000e-01  2.7399100000e+00  1.2242930000e+00 -5.7134100000e-01  1.7797790000e+00  1.3690600000e-01 -1.3817400000e-01
+ENERGY -1.526552922635e+02
+FORCES -1.8896000000e-03  4.9603000000e-03 -1.3499000000e-03  1.8328000000e-03 -1.5646000000e-03  3.2001000000e-03 -4.9650000000e-04 -3.5567000000e-03 -1.8376000000e-03  3.3588000000e-03 -2.4805000000e-03  2.6284000000e-03 -3.6600000000e-03 -1.2768000000e-03 -4.9670000000e-04  8.5460000000e-04  3.9184000000e-03 -2.1444000000e-03
+
+JOB 67
+COORDS  2.0118720000e+00 -7.3271100000e-01  7.2280900000e-01  1.2610050000e+00 -1.1194180000e+00  1.1732400000e+00  1.8677320000e+00  2.1164000000e-01  7.8328900000e-01 -2.0229640000e+00  7.3684900000e-01 -7.3369800000e-01 -1.5908910000e+00  5.9510000000e-02 -2.1335400000e-01 -1.4787970000e+00  8.2168700000e-01 -1.5165870000e+00
+ENERGY -1.526541743213e+02
+FORCES -2.3890000000e-03  2.3631000000e-03  3.1843000000e-03  2.4176000000e-03  1.8216000000e-03 -2.7124000000e-03  1.8280000000e-04 -4.3837000000e-03 -7.2930000000e-04  3.7058000000e-03 -2.8261000000e-03 -2.0092000000e-03 -1.5343000000e-03  3.0570000000e-03 -1.2467000000e-03 -2.3830000000e-03 -3.1900000000e-05  3.5132000000e-03
+
+JOB 68
+COORDS  1.2304520000e+00  1.2538800000e+00 -1.4667260000e+00  3.9745900000e-01  1.5695680000e+00 -1.8170070000e+00  1.1395620000e+00  1.3394110000e+00 -5.1769700000e-01 -1.1758820000e+00 -1.2851870000e+00  1.5007060000e+00 -5.3811800000e-01 -1.6419310000e+00  8.8246400000e-01 -1.7990410000e+00 -8.0711800000e-01  9.5357300000e-01
+ENERGY -1.526547733419e+02
+FORCES -3.1354000000e-03  2.6809000000e-03  2.4964000000e-03  3.2025000000e-03 -1.7681000000e-03  1.5465000000e-03  1.5270000000e-04 -7.9300000000e-04 -4.4578000000e-03 -2.0950000000e-04 -6.2900000000e-04 -4.8815000000e-03 -2.7908000000e-03  1.8966000000e-03  2.9796000000e-03  2.7806000000e-03 -1.3874000000e-03  2.3168000000e-03
+
+JOB 69
+COORDS -1.6939380000e+00  7.8735100000e-01  1.3625560000e+00 -2.0380980000e+00 -2.0645000000e-02  9.8186100000e-01 -1.0997250000e+00  4.9326400000e-01  2.0529590000e+00  1.6783410000e+00 -7.8219600000e-01 -1.3648980000e+00  1.8867590000e+00  3.0700000000e-04 -8.5452300000e-01  1.4409700000e+00 -4.4829200000e-01 -2.2299960000e+00
+ENERGY -1.526550781904e+02
+FORCES  8.9620000000e-04 -5.1333000000e-03  1.1658000000e-03  1.0182000000e-03  3.5826000000e-03  1.7447000000e-03 -2.2538000000e-03  1.5550000000e-03 -2.7404000000e-03 -2.7110000000e-04  5.0986000000e-03 -1.6037000000e-03 -4.5120000000e-04 -3.5438000000e-03 -1.9637000000e-03  1.0617000000e-03 -1.5591000000e-03  3.3973000000e-03
+
+JOB 70
+COORDS -1.4993650000e+00 -1.7079390000e+00 -5.6007300000e-01 -1.5361270000e+00 -1.4139910000e+00  3.5013400000e-01 -1.7235640000e+00 -9.3108600000e-01 -1.0723870000e+00  1.4686020000e+00  1.6009640000e+00  5.4866400000e-01  1.5162120000e+00  2.2248130000e+00 -1.7575200000e-01  2.1721090000e+00  1.8667070000e+00  1.1408560000e+00
+ENERGY -1.526546308519e+02
+FORCES  5.6600000000e-05  5.1223000000e-03  2.0880000000e-03 -6.9190000000e-04 -1.8097000000e-03 -3.6006000000e-03  3.4660000000e-04 -3.2921000000e-03  1.5540000000e-03  3.7520000000e-03  3.4744000000e-03 -6.2820000000e-04 -4.8670000000e-04 -2.5037000000e-03  3.0049000000e-03 -2.9766000000e-03 -9.9120000000e-04 -2.4181000000e-03
+
+JOB 71
+COORDS -1.7525140000e+00  1.1360340000e+00 -1.0133870000e+00 -1.5089150000e+00  1.6488310000e+00 -2.4271900000e-01 -2.5574680000e+00  1.5460670000e+00 -1.3298580000e+00  1.7552970000e+00 -1.1308120000e+00  9.7846700000e-01  2.2008640000e+00 -1.4646130000e+00  1.7571060000e+00  1.8073650000e+00 -1.8476920000e+00  3.4632500000e-01
+ENERGY -1.526541954705e+02
+FORCES -1.6185000000e-03  3.6421000000e-03  2.4277000000e-03 -1.6755000000e-03 -1.6052000000e-03 -3.4342000000e-03  3.2303000000e-03 -1.7396000000e-03  1.2155000000e-03  1.6825000000e-03 -4.5256000000e-03 -3.3800000000e-05 -1.8486000000e-03  1.4928000000e-03 -3.0862000000e-03  2.2980000000e-04  2.7353000000e-03  2.9110000000e-03
+
+JOB 72
+COORDS  4.6557200000e-01 -1.8384760000e+00 -1.4235020000e+00  1.3731990000e+00 -1.5384510000e+00 -1.3742090000e+00  4.9412000000e-01 -2.7421390000e+00 -1.1091630000e+00 -4.7374400000e-01  1.9231850000e+00  1.3887500000e+00 -1.0737740000e+00  1.5896590000e+00  7.2169900000e-01 -7.6031400000e-01  1.5043270000e+00  2.2003330000e+00
+ENERGY -1.526549644430e+02
+FORCES  4.3087000000e-03 -2.3395000000e-03  1.4159000000e-03 -3.7906000000e-03 -1.5696000000e-03 -3.8170000000e-04 -2.3360000000e-04  3.6874000000e-03 -1.2020000000e-03 -3.7215000000e-03 -3.5789000000e-03  4.0400000000e-05  2.2260000000e-03  2.0094000000e-03  3.1511000000e-03  1.2110000000e-03  1.7912000000e-03 -3.0236000000e-03
+
+JOB 73
+COORDS -6.2216600000e-01 -2.3334980000e+00  1.2685300000e-01  1.0803300000e-01 -1.7271920000e+00  2.6240000000e-03 -2.1504200000e-01 -3.1356660000e+00  4.5397500000e-01  5.8923700000e-01  2.3022530000e+00 -1.2189900000e-01  4.9219200000e-01  2.5982020000e+00 -1.0270110000e+00  7.1913000000e-02  2.9235680000e+00  3.9052100000e-01
+ENERGY -1.526551743805e+02
+FORCES  4.8163000000e-03  1.4700000000e-05  9.4440000000e-04 -3.0452000000e-03 -3.6120000000e-03  2.8810000000e-04 -1.6620000000e-03  3.0995000000e-03 -1.3054000000e-03 -2.9602000000e-03  4.1478000000e-03 -1.4548000000e-03  5.5180000000e-04 -1.2913000000e-03  3.7198000000e-03  2.2993000000e-03 -2.3586000000e-03 -2.1920000000e-03
+
+JOB 74
+COORDS  2.0553100000e+00  1.3725650000e+00  8.9202000000e-02  1.8795890000e+00  7.2829700000e-01 -5.9656200000e-01  1.9580180000e+00  8.8501200000e-01  9.0716100000e-01 -2.0276450000e+00 -1.2799300000e+00 -2.5220000000e-02 -1.3666440000e+00 -1.4959990000e+00 -6.8296300000e-01 -2.8633390000e+00 -1.4489450000e+00 -4.6028400000e-01
+ENERGY -1.526538861001e+02
+FORCES -1.6690000000e-03 -4.5008000000e-03  1.0233000000e-03  7.6350000000e-04  2.3656000000e-03  2.4298000000e-03  9.0010000000e-04  1.9728000000e-03 -3.5247000000e-03 -1.4608000000e-03 -1.4575000000e-03 -4.5867000000e-03 -2.0615000000e-03  1.0214000000e-03  2.8746000000e-03  3.5278000000e-03  5.9850000000e-04  1.7837000000e-03
+
+JOB 75
+COORDS -2.4656780000e+00  5.4780600000e-01 -1.6383200000e-01 -1.5282630000e+00  3.5694400000e-01 -1.3132200000e-01 -2.7377640000e+00  2.6625700000e-01 -1.0372910000e+00  2.4649780000e+00 -5.3275700000e-01  2.6903200000e-01  2.6379190000e+00  9.0741000000e-02 -4.3635700000e-01  1.6730670000e+00 -9.9405900000e-01 -7.2110000000e-03
+ENERGY -1.526532511485e+02
+FORCES  2.3569000000e-03 -1.6194000000e-03 -3.1484000000e-03 -3.6179000000e-03  3.0940000000e-04 -6.3210000000e-04  1.4179000000e-03  1.0980000000e-03  3.6559000000e-03 -1.5375000000e-03  3.3160000000e-04 -3.9268000000e-03 -1.1855000000e-03 -2.6889000000e-03  2.9888000000e-03  2.5661000000e-03  2.5694000000e-03  1.0626000000e-03
+
+JOB 76
+COORDS  1.5161600000e-01 -2.6616220000e+00 -2.4965500000e-01  3.7665500000e-01 -1.7581810000e+00 -2.7430000000e-02 -3.6416000000e-01 -2.9706180000e+00  4.9514600000e-01 -1.5176700000e-01  2.6257160000e+00  2.6417400000e-01  7.3259100000e-01  2.6621620000e+00 -1.0026400000e-01 -7.2753200000e-01  2.6518270000e+00 -5.0005400000e-01
+ENERGY -1.526548820749e+02
+FORCES -1.3283000000e-03  2.6234000000e-03  4.2920000000e-03 -6.4950000000e-04 -3.9727000000e-03 -1.3249000000e-03  2.0853000000e-03  1.0494000000e-03 -3.0833000000e-03  1.1009000000e-03  1.2176000000e-03 -4.7869000000e-03 -3.6887000000e-03 -5.9660000000e-04  1.6221000000e-03  2.4804000000e-03 -3.2110000000e-04  3.2811000000e-03
+
+JOB 77
+COORDS -9.5968000000e-01  2.1487710000e+00 -1.3589420000e+00 -1.9084140000e+00  2.0223070000e+00 -1.3708190000e+00 -6.3198100000e-01  1.4532680000e+00 -7.8874700000e-01  1.0143850000e+00 -2.0660830000e+00  1.2757730000e+00  1.4720180000e+00 -2.8145740000e+00  1.6586110000e+00  2.1065900000e-01 -1.9877200000e+00  1.7896950000e+00
+ENERGY -1.526544785600e+02
+FORCES -2.0103000000e-03 -3.6989000000e-03  2.1740000000e-03  3.7246000000e-03  5.5220000000e-04  1.3470000000e-04 -1.9550000000e-03  3.2839000000e-03 -2.2519000000e-03 -8.3770000000e-04 -3.2763000000e-03  3.8686000000e-03 -2.0115000000e-03  3.0629000000e-03 -1.4936000000e-03  3.0899000000e-03  7.6200000000e-05 -2.4317000000e-03
+
+JOB 78
+COORDS  9.7046000000e-01 -1.1710180000e+00  2.4798330000e+00  8.4402500000e-01 -6.3653900000e-01  1.6958820000e+00  9.9257800000e-01 -2.0713190000e+00  2.1554850000e+00 -9.2805200000e-01  1.2500490000e+00 -2.3974920000e+00 -1.1805480000e+00  5.4862700000e-01 -1.7970890000e+00 -1.2691130000e+00  9.7254000000e-01 -3.2477260000e+00
+ENERGY -1.526538756742e+02
+FORCES  2.7300000000e-05 -1.2907000000e-03 -4.3850000000e-03  9.3000000000e-05 -2.4915000000e-03  3.1347000000e-03 -2.8540000000e-04  3.7104000000e-03  1.2338000000e-03 -2.8504000000e-03 -3.7135000000e-03 -1.4477000000e-03  1.5599000000e-03  2.6982000000e-03 -2.1152000000e-03  1.4557000000e-03  1.0872000000e-03  3.5795000000e-03
+
+JOB 79
+COORDS  2.8271600000e+00  1.1302000000e-01  5.0251100000e-01  3.4634420000e+00  4.0639900000e-01 -1.4964400000e-01  2.3110970000e+00  8.9397300000e-01  7.0256900000e-01 -2.8066320000e+00 -1.2040200000e-01 -4.4648300000e-01 -2.6808000000e+00 -3.8445100000e-01 -1.3578980000e+00 -3.3925920000e+00 -7.8430000000e-01 -8.2998000000e-02
+ENERGY -1.526542966278e+02
+FORCES  3.6300000000e-05  4.4685000000e-03 -1.7280000000e-03 -2.5236000000e-03 -1.2527000000e-03  2.5768000000e-03  2.5514000000e-03 -3.1083000000e-03 -8.1190000000e-04 -1.6800000000e-03 -4.1196000000e-03 -2.1451000000e-03 -6.3720000000e-04  1.2332000000e-03  3.6333000000e-03  2.2531000000e-03  2.7790000000e-03 -1.5250000000e-03
+
+JOB 80
+COORDS  6.5046400000e-01 -2.2567510000e+00 -1.5763310000e+00  8.8602500000e-01 -1.9679540000e+00 -2.4579990000e+00  4.2082800000e-01 -3.1802380000e+00 -1.6796320000e+00 -6.7292000000e-01  2.3239050000e+00  1.6737200000e+00  2.1714200000e-01  2.2403410000e+00  1.3316110000e+00 -1.1936950000e+00  1.7273360000e+00  1.1360120000e+00
+ENERGY -1.526547938878e+02
+FORCES  1.4790000000e-04 -3.0551000000e-03 -4.0772000000e-03 -1.0264000000e-03 -1.0086000000e-03  3.7008000000e-03  9.3290000000e-04  3.8415000000e-03  3.4290000000e-04  1.6613000000e-03 -3.3544000000e-03 -3.6653000000e-03 -3.5405000000e-03  7.6280000000e-04  1.4454000000e-03  1.8248000000e-03  2.8137000000e-03  2.2534000000e-03
+
+JOB 81
+COORDS -2.7519930000e+00 -3.2950700000e-01  9.5254400000e-01 -3.1231590000e+00  5.1700600000e-01  7.0377800000e-01 -3.1762680000e+00 -5.4265500000e-01  1.7836820000e+00  2.8200020000e+00  3.0527300000e-01 -1.0423880000e+00  1.9453550000e+00 -3.7495000000e-02 -8.5871800000e-01  3.2066050000e+00  4.5156800000e-01 -1.7904200000e-01
+ENERGY -1.526547796245e+02
+FORCES -3.6970000000e-03  2.5193000000e-03  2.3686000000e-03  1.6625000000e-03 -3.4838000000e-03  1.0748000000e-03  1.8134000000e-03  9.2090000000e-04 -3.3890000000e-03 -2.3484000000e-03 -1.0027000000e-03  4.3264000000e-03  3.9544000000e-03  1.5437000000e-03 -9.0440000000e-04 -1.3848000000e-03 -4.9730000000e-04 -3.4764000000e-03
+
+JOB 82
+COORDS  2.2872600000e-01 -2.6048530000e+00  1.5787580000e+00 -4.7197100000e-01 -1.9576570000e+00  1.4988060000e+00  5.4182000000e-02 -3.2351130000e+00  8.7980200000e-01 -2.4528400000e-01  2.6247040000e+00 -1.5335650000e+00  4.2446000000e-02  1.7133460000e+00 -1.4800050000e+00  5.5364900000e-01  3.1180790000e+00 -1.7193580000e+00
+ENERGY -1.526542402496e+02
+FORCES -3.8463000000e-03 -2.0670000000e-04 -2.7668000000e-03  3.1166000000e-03 -2.5912000000e-03  5.1800000000e-05  8.2280000000e-04  2.7431000000e-03  2.7401000000e-03  4.7231000000e-03 -1.5028000000e-03 -5.4330000000e-04 -1.4923000000e-03  3.5670000000e-03 -1.8000000000e-04 -3.3238000000e-03 -2.0095000000e-03  6.9820000000e-04
+
+JOB 83
+COORDS -1.9439920000e+00  1.9910530000e+00  1.4110840000e+00 -2.7042930000e+00  1.4718130000e+00  1.6729310000e+00 -2.2637620000e+00  2.5410170000e+00  6.9587900000e-01  2.0033570000e+00 -1.9949600000e+00 -1.4468970000e+00  2.6414350000e+00 -1.5734200000e+00 -8.7123000000e-01  1.3504920000e+00 -2.3639870000e+00 -8.5207000000e-01
+ENERGY -1.526543632438e+02
+FORCES -4.4768000000e-03  3.1770000000e-04 -2.0087000000e-03  3.1743000000e-03  2.0083000000e-03 -1.0304000000e-03  1.2565000000e-03 -2.2431000000e-03  3.0197000000e-03 -1.9040000000e-04  5.5640000000e-04  4.9847000000e-03 -2.4214000000e-03 -1.8765000000e-03 -2.4385000000e-03  2.6579000000e-03  1.2372000000e-03 -2.5268000000e-03
+
+JOB 84
+COORDS  6.5233000000e-02  3.1355150000e+00  9.7674700000e-01  1.3247100000e-01  3.1174390000e+00  2.2082000000e-02 -8.7582700000e-01  3.1546840000e+00  1.1507290000e+00  3.0375000000e-02 -3.0889720000e+00 -9.1763900000e-01 -7.6735900000e-01 -3.3143550000e+00 -4.3904200000e-01  2.1442000000e-02 -3.6636040000e+00 -1.6831130000e+00
+ENERGY -1.526539768652e+02
+FORCES -3.4215000000e-03 -3.6970000000e-04 -3.3225000000e-03 -3.5290000000e-04  3.5330000000e-04  3.9074000000e-03  3.7538000000e-03  1.4800000000e-05 -6.3850000000e-04 -3.1751000000e-03 -3.3687000000e-03 -9.8720000000e-04  3.1865000000e-03  9.5440000000e-04 -2.0497000000e-03  9.1000000000e-06  2.4160000000e-03  3.0905000000e-03
+
+JOB 85
+COORDS  1.0295440000e+00 -1.1522040000e+00  3.0492970000e+00  5.1744700000e-01 -5.5691400000e-01  3.5966720000e+00  1.9236360000e+00 -1.0751580000e+00  3.3823070000e+00 -1.0368450000e+00  1.0578940000e+00 -3.1233880000e+00 -6.5962500000e-01  1.4807910000e+00 -2.3519640000e+00 -1.7070450000e+00  1.6693510000e+00 -3.4286500000e+00
+ENERGY -1.526539640501e+02
+FORCES  1.5899000000e-03  2.5247000000e-03  3.6631000000e-03  2.0884000000e-03 -2.3301000000e-03 -2.3194000000e-03 -3.6820000000e-03 -2.4310000000e-04 -1.3742000000e-03 -1.1221000000e-03  4.0173000000e-03  2.1075000000e-03 -1.5918000000e-03 -1.5082000000e-03 -3.2948000000e-03  2.7175000000e-03 -2.4607000000e-03  1.2178000000e-03
+
+JOB 86
+COORDS  1.0205600000e+00  1.5669830000e+00 -3.4100210000e+00  3.2050500000e-01  1.8474080000e+00 -3.9995260000e+00  1.8248600000e+00  1.8700610000e+00 -3.8313020000e+00 -1.0640200000e+00 -1.6570680000e+00  3.4767430000e+00 -1.3265620000e+00 -7.4139900000e-01  3.3826440000e+00 -1.0758900000e-01 -1.6370770000e+00  3.4439840000e+00
+ENERGY -1.526542178012e+02
+FORCES  3.8570000000e-04  2.3061000000e-03 -4.2381000000e-03  2.8741000000e-03 -1.1003000000e-03  2.4340000000e-03 -3.2692000000e-03 -1.2175000000e-03  1.7666000000e-03  2.8999000000e-03  3.8739000000e-03 -7.9980000000e-04  9.9560000000e-04 -3.7295000000e-03  5.4000000000e-04 -3.8862000000e-03 -1.3270000000e-04  2.9730000000e-04
+
+JOB 87
+COORDS -2.6081190000e+00 -2.0092430000e+00 -2.6606240000e+00 -2.6601860000e+00 -1.0542880000e+00 -2.6208550000e+00 -2.7224200000e+00 -2.2937880000e+00 -1.7538710000e+00  2.6188690000e+00  1.9764780000e+00  2.6752970000e+00  2.2086590000e+00  1.3307510000e+00  2.0999740000e+00  3.0132400000e+00  2.6129770000e+00  2.0789980000e+00
+ENERGY -1.526540290071e+02
+FORCES -8.8500000000e-04  2.6548000000e-03  3.8152000000e-03  3.4070000000e-04 -3.8812000000e-03 -1.2660000000e-04  5.7230000000e-04  1.2192000000e-03 -3.7023000000e-03  1.0720000000e-04 -4.0400000000e-05 -4.7721000000e-03  1.5409000000e-03  2.6478000000e-03  2.3521000000e-03 -1.6761000000e-03 -2.6002000000e-03  2.4336000000e-03
+
+JOB 88
+COORDS -3.1267980000e+00 -3.0547430000e+00 -1.8566640000e+00 -2.5770480000e+00 -2.4599010000e+00 -1.3465950000e+00 -3.5777100000e+00 -2.4877290000e+00 -2.4822870000e+00  3.0767900000e+00  3.0072630000e+00  1.8971980000e+00  3.9485210000e+00  3.3393600000e+00  1.6826570000e+00  3.0592220000e+00  2.1238530000e+00  1.5290800000e+00
+ENERGY -1.526540931242e+02
+FORCES  3.1180000000e-04  4.7707000000e-03 -4.3970000000e-04 -2.1681000000e-03 -2.4539000000e-03 -2.1015000000e-03  1.8686000000e-03 -2.3291000000e-03  2.5354000000e-03  3.5946000000e-03 -2.2174000000e-03 -2.3028000000e-03 -3.5842000000e-03 -1.3643000000e-03  8.5430000000e-04 -2.2700000000e-05  3.5940000000e-03  1.4542000000e-03
+
+JOB 89
+COORDS  3.8371630000e+00 -4.5361420000e+00 -3.9697100000e-01  4.6552830000e+00 -4.8551520000e+00 -1.5994000000e-02  3.8904600000e+00 -3.5837840000e+00 -3.1693400000e-01 -3.8466150000e+00  4.5116880000e+00  3.2371600000e-01 -3.6596810000e+00  4.1547430000e+00  1.1919770000e+00 -4.8017650000e+00  4.5609210000e+00  2.8502600000e-01
+ENERGY -1.526540913467e+02
+FORCES  3.5542000000e-03  2.6107000000e-03  1.8435000000e-03 -3.3395000000e-03  1.2914000000e-03 -1.5414000000e-03 -2.1210000000e-04 -3.9031000000e-03 -3.0070000000e-04 -3.1633000000e-03 -1.2786000000e-03  3.3674000000e-03 -7.4030000000e-04  1.4677000000e-03 -3.5347000000e-03  3.9009000000e-03 -1.8810000000e-04  1.6580000000e-04
+
+JOB 0
+COORDS -5.2300800000e-01 -1.0707060000e+00 -1.2271500000e-01  1.5199600000e-01 -3.9575400000e-01 -1.9371700000e-01 -1.8658400000e-01 -1.8019870000e+00 -6.4067000000e-01  5.2065400000e-01  1.0376090000e+00  1.6153000000e-01  2.3622700000e-01  1.5328910000e+00 -6.0660400000e-01 -1.6172700000e-01  1.1942450000e+00  8.1425800000e-01
+ENERGY -1.526497096547e+02
+FORCES  1.6432600000e-02  3.1412400000e-02  5.6567000000e-03 -5.9615000000e-03 -5.0596000000e-03 -2.1869000000e-03  3.1493000000e-03  6.7416000000e-03  2.5390000000e-04 -1.8485700000e-02 -2.7496700000e-02 -2.4884000000e-03  8.0240000000e-04 -5.3979000000e-03  3.4945000000e-03  4.0629000000e-03 -1.9970000000e-04 -4.7299000000e-03
+
+JOB 1
+COORDS  8.8200400000e-01  9.7125000000e-02  8.5958400000e-01  4.9760000000e-01  5.5778300000e-01  1.6054130000e+00  1.1319340000e+00 -7.5834600000e-01  1.2087770000e+00 -9.0147400000e-01 -5.6433000000e-02 -9.8212200000e-01 -9.9802000000e-02  2.5825000000e-01 -5.6435500000e-01 -1.2571520000e+00 -6.9743700000e-01 -3.6662300000e-01
+ENERGY -1.526543582850e+02
+FORCES -1.0655800000e-02 -3.1392000000e-03 -8.1731000000e-03  1.2011000000e-03 -3.6641000000e-03 -4.0235000000e-03 -2.7964000000e-03  4.4608000000e-03 -4.3570000000e-04  1.5490100000e-02 -1.0848000000e-03  1.8222400000e-02 -2.3208000000e-03  3.2798000000e-03 -4.3852000000e-03 -9.1820000000e-04  1.4750000000e-04 -1.2049000000e-03
+
+JOB 2
+COORDS  9.3361900000e-01  2.2884300000e-01  9.2192900000e-01  5.3920900000e-01  1.7692900000e-01  1.7925480000e+00  1.9644700000e-01  1.3536700000e-01  3.1854600000e-01 -8.4360500000e-01 -2.6618200000e-01 -8.9527600000e-01 -7.7686800000e-01 -2.6940700000e-01 -1.8501410000e+00 -1.3192760000e+00  5.3886700000e-01 -6.9066600000e-01
+ENERGY -1.526543076880e+02
+FORCES -1.1449800000e-02 -6.7838000000e-03 -1.3373200000e-02 -1.3389000000e-03  3.8420000000e-04 -4.3275000000e-03 -2.2210000000e-03  7.7980000000e-03  7.0919000000e-03  9.8386000000e-03  2.5895000000e-03  3.0286000000e-03 -2.3501000000e-03  7.8090000000e-04  4.9022000000e-03  7.5212000000e-03 -4.7687000000e-03  2.6781000000e-03
+
+JOB 3
+COORDS -8.9393200000e-01 -8.2504100000e-01  2.8359100000e-01 -3.7730800000e-01 -1.6228120000e+00  1.7004700000e-01 -1.3936710000e+00 -9.7493600000e-01  1.0861030000e+00  9.2757000000e-01  8.6838300000e-01 -3.8226500000e-01  9.8593600000e-01  1.6994440000e+00  8.9076000000e-02  2.5992300000e-01  3.7098600000e-01  9.0045000000e-02
+ENERGY -1.526577805923e+02
+FORCES  7.8070000000e-03  3.7704000000e-03 -2.1587000000e-03 -2.9257000000e-03  5.3905000000e-03  2.0625000000e-03  3.5932000000e-03  8.3660000000e-04 -4.1135000000e-03 -1.4824600000e-02 -1.0677300000e-02  5.6141000000e-03 -2.3403000000e-03 -3.4790000000e-03  1.8210000000e-04  8.6904000000e-03  4.1587000000e-03 -1.5866000000e-03
+
+JOB 4
+COORDS -8.9114600000e-01  4.1366300000e-01 -9.6160000000e-01 -1.5346800000e-01  3.2521600000e-01 -3.5807700000e-01 -7.2234800000e-01 -2.3623100000e-01 -1.6437860000e+00  8.2108200000e-01 -3.5526300000e-01  9.1198500000e-01  6.1448600000e-01 -1.1542910000e+00  1.3968610000e+00  1.4213520000e+00  1.2374700000e-01  1.4833480000e+00
+ENERGY -1.526590278599e+02
+FORCES  1.1603100000e-02 -5.8568000000e-03  1.0043100000e-02 -3.6207000000e-03  3.7049000000e-03 -5.8307000000e-03 -4.4300000000e-04  1.0245000000e-03  2.4509000000e-03 -7.2347000000e-03  2.3350000000e-04 -3.2294000000e-03  3.1768000000e-03  3.9315000000e-03 -1.1100000000e-03 -3.4816000000e-03 -3.0375000000e-03 -2.3238000000e-03
+
+JOB 5
+COORDS -8.3780800000e-01  3.9423900000e-01  1.0055320000e+00 -5.2512500000e-01  5.1599900000e-01  1.9019890000e+00 -5.5483000000e-02  4.9329500000e-01  4.6295600000e-01  8.2042100000e-01 -3.7146400000e-01 -9.8226300000e-01  3.4892000000e-02 -8.5236600000e-01 -7.2167000000e-01  8.5980300000e-01 -4.7341300000e-01 -1.9332030000e+00
+ENERGY -1.526596271857e+02
+FORCES  7.6834000000e-03  1.6568000000e-03 -3.5956000000e-03  1.5390000000e-04 -2.0030000000e-04 -3.8112000000e-03 -6.8791000000e-03 -6.2370000000e-03  3.4977000000e-03 -5.0206000000e-03 -7.9810000000e-04 -1.9800000000e-05  5.4140000000e-03  6.7888000000e-03 -3.5150000000e-04 -1.3516000000e-03 -1.2102000000e-03  4.2805000000e-03
+
+JOB 6
+COORDS  8.1987500000e-01 -1.4073700000e-01  9.9612100000e-01  1.6465090000e+00  3.0820600000e-01  1.1732030000e+00  4.1166900000e-01 -2.4004400000e-01  1.8562010000e+00 -8.4324200000e-01  8.1683000000e-02 -1.1147890000e+00 -1.3340810000e+00  8.8889500000e-01 -9.6078700000e-01 -3.8165300000e-01 -7.9227000000e-02 -2.9182100000e-01
+ENERGY -1.526589729846e+02
+FORCES -2.3070000000e-04  2.9296000000e-03 -4.4379000000e-03 -4.1901000000e-03 -2.5272000000e-03  1.6893000000e-03  1.4852000000e-03  1.6183000000e-03 -5.2310000000e-03  9.1473000000e-03  1.1395000000e-03  1.1738000000e-02  1.6851000000e-03 -2.2080000000e-03  4.4450000000e-04 -7.8967000000e-03 -9.5220000000e-04 -4.2029000000e-03
+
+JOB 7
+COORDS -6.7407200000e-01 -9.9178800000e-01 -7.8264900000e-01 -4.3331000000e-01 -1.2036600000e+00  1.1922500000e-01 -2.6432800000e-01 -1.4252100000e-01 -9.4723000000e-01  6.0776400000e-01  8.9307100000e-01  7.4143800000e-01  7.1115500000e-01  1.5524630000e+00  1.4275470000e+00  9.7890300000e-01  1.3007130000e+00 -4.1068000000e-02
+ENERGY -1.526537200395e+02
+FORCES  5.2278000000e-03  8.4004000000e-03  1.0866700000e-02 -2.1896000000e-03 -3.8210000000e-03 -2.8805000000e-03  2.3097000000e-03  1.3280000000e-03 -4.0380000000e-03 -1.9780000000e-04  1.7709000000e-03 -2.3130000000e-03 -4.3350000000e-04 -3.4836000000e-03 -3.3688000000e-03 -4.7166000000e-03 -4.1946000000e-03  1.7337000000e-03
+
+JOB 8
+COORDS  7.6871500000e-01  8.0381700000e-01 -8.9756900000e-01  2.1148200000e-01  5.4537300000e-01 -1.6345100000e-01  1.4357620000e+00  1.1897700000e-01 -9.4525700000e-01 -7.7231400000e-01 -7.9064200000e-01  8.0198400000e-01 -1.6797000000e-01 -6.6710900000e-01  1.5339260000e+00 -1.4451370000e+00 -1.2210700000e-01  9.3084000000e-01
+ENERGY -1.526551834814e+02
+FORCES -6.1153000000e-03 -1.2710500000e-02  6.6991000000e-03  2.1883000000e-03  8.3204000000e-03  9.7190000000e-04 -6.7310000000e-04  2.8698000000e-03  2.6310000000e-04 -9.2430000000e-04  1.3163000000e-03  1.6959000000e-03 -1.5488000000e-03  1.8027000000e-03 -7.1299000000e-03  7.0732000000e-03 -1.5986000000e-03 -2.5000000000e-03
+
+JOB 9
+COORDS  1.9863300000e-01  6.1487000000e-01 -1.1835990000e+00 -5.9987700000e-01  2.4667300000e-01 -1.5618120000e+00  8.6344900000e-01  4.9324800000e-01 -1.8614330000e+00 -1.5375800000e-01 -6.0866700000e-01  1.2907910000e+00 -1.1088890000e+00 -5.4977400000e-01  1.2687050000e+00  1.2627100000e-01 -2.8938900000e-01  4.3295800000e-01
+ENERGY -1.526590925925e+02
+FORCES -2.9270000000e-04 -1.9481000000e-03 -2.0065000000e-03  4.4568000000e-03  7.9860000000e-04  4.0358000000e-03 -4.1590000000e-03  3.3280000000e-04  3.1775000000e-03  6.9330000000e-04  7.3040000000e-03 -1.1197800000e-02  2.5516000000e-03 -4.0890000000e-04 -1.1740000000e-03 -3.2500000000e-03 -6.0783000000e-03  7.1650000000e-03
+
+JOB 10
+COORDS  1.6085000000e-01 -5.7509600000e-01 -1.2673600000e+00  4.5389100000e-01 -1.4746310000e+00 -1.1217700000e+00  9.6661300000e-01 -5.8454000000e-02 -1.2749100000e+00 -1.6337600000e-01  5.8129800000e-01  1.2870290000e+00 -5.5866700000e-01  2.0131800000e-01  5.0243300000e-01 -7.8687900000e-01  1.2501780000e+00  1.5700040000e+00
+ENERGY -1.526609303823e+02
+FORCES  6.7757000000e-03 -6.2000000000e-05  2.3664000000e-03 -1.4187000000e-03  4.3455000000e-03 -3.6420000000e-04 -4.0577000000e-03 -3.0627000000e-03 -1.0039000000e-03 -2.6180000000e-03 -2.9121000000e-03 -7.4640000000e-03 -5.3750000000e-04  4.2776000000e-03  9.0867000000e-03  1.8563000000e-03 -2.5863000000e-03 -2.6210000000e-03
+
+JOB 11
+COORDS -8.4375600000e-01  8.1030400000e-01 -6.7739400000e-01 -1.2693580000e+00  1.6412330000e+00 -4.6608700000e-01 -8.6596800000e-01  7.6555600000e-01 -1.6332900000e+00  9.0416000000e-01 -8.6456900000e-01  7.7860500000e-01  3.8555500000e-01 -9.9645000000e-02  5.2926300000e-01  8.4439600000e-01 -1.4511860000e+00  2.4588000000e-02
+ENERGY -1.526595276073e+02
+FORCES  5.9870000000e-04  1.7070000000e-04 -2.1058000000e-03  2.3735000000e-03 -4.0384000000e-03 -1.4472000000e-03 -6.8680000000e-04  6.0520000000e-04  4.4799000000e-03 -8.2512000000e-03  5.4237000000e-03 -8.6172000000e-03  4.8015000000e-03 -2.7987000000e-03  5.8429000000e-03  1.1643000000e-03  6.3740000000e-04  1.8473000000e-03
+
+JOB 12
+COORDS -1.0376820000e+00 -6.1122000000e-01  7.7430600000e-01 -6.1499800000e-01  9.4246000000e-02  2.8452200000e-01 -1.8168700000e+00 -2.0583500000e-01  1.1547800000e+00  1.0154650000e+00  5.5869000000e-01 -7.2101700000e-01  1.4373390000e+00 -2.4945100000e-01 -1.0128430000e+00  1.3594210000e+00  1.2337460000e+00 -1.3060170000e+00
+ENERGY -1.526609236497e+02
+FORCES  4.5298000000e-03  6.0462000000e-03 -3.8268000000e-03 -7.2473000000e-03 -4.4774000000e-03  4.9649000000e-03  3.0954000000e-03 -3.8800000000e-05 -1.9583000000e-03  1.7125000000e-03 -3.0788000000e-03 -1.7005000000e-03 -1.1046000000e-03  5.1107000000e-03  2.1000000000e-04 -9.8570000000e-04 -3.5619000000e-03  2.3106000000e-03
+
+JOB 13
+COORDS  6.5694400000e-01 -6.4909900000e-01  1.1576600000e+00 -1.5200900000e-01 -2.1186100000e-01  8.9186200000e-01  1.2437840000e+00 -5.4397700000e-01  4.0879500000e-01 -6.3817000000e-01  5.9554000000e-01 -1.0381210000e+00 -4.2828100000e-01  1.8591000000e-01 -1.8773960000e+00 -1.0257190000e+00  1.4387080000e+00 -1.2728630000e+00
+ENERGY -1.526584664281e+02
+FORCES -4.2694000000e-03  6.4298000000e-03 -1.0557100000e-02  1.1748000000e-03 -2.2963000000e-03  6.0373000000e-03  9.5680000000e-04 -2.3896000000e-03  2.2863000000e-03  4.2660000000e-04 -2.2220000000e-04 -2.6073000000e-03 -1.7660000000e-04  2.7358000000e-03  3.8389000000e-03  1.8877000000e-03 -4.2576000000e-03  1.0018000000e-03
+
+JOB 14
+COORDS -9.7058000000e-01 -5.6357300000e-01  9.2411100000e-01 -3.8825200000e-01 -4.4967800000e-01  1.7300900000e-01 -1.6452990000e+00 -1.1681680000e+00  6.1516100000e-01  9.4323900000e-01  5.6242700000e-01 -8.3465300000e-01  1.0286850000e+00  5.2933300000e-01 -1.7874570000e+00  1.5762720000e+00  1.2257310000e+00 -5.5982800000e-01
+ENERGY -1.526601887717e+02
+FORCES  5.1851000000e-03  2.4602000000e-03 -6.7343000000e-03 -7.0242000000e-03 -5.3596000000e-03  4.6043000000e-03  2.8580000000e-03  2.2274000000e-03 -3.8980000000e-04  1.4330000000e-03  3.1316000000e-03  1.3545000000e-03 -4.2810000000e-04  2.0020000000e-04  4.5056000000e-03 -2.0238000000e-03 -2.6597000000e-03 -3.3403000000e-03
+
+JOB 15
+COORDS  5.6356800000e-01  7.3777700000e-01 -1.0347860000e+00  1.0904840000e+00  9.7599800000e-01 -1.7975730000e+00  9.5811300000e-01  1.2224100000e+00 -3.0973700000e-01 -6.4944700000e-01 -7.2237300000e-01  1.0658040000e+00 -3.1385100000e-01 -7.8320600000e-01  1.7142900000e-01 -3.3285200000e-01 -1.5169600000e+00  1.4954910000e+00
+ENERGY -1.526601800117e+02
+FORCES  2.2652000000e-03  3.7769000000e-03  2.0642000000e-03 -1.7983000000e-03 -6.2390000000e-04  4.0215000000e-03 -3.4920000000e-04 -2.0756000000e-03 -5.1904000000e-03  2.8245000000e-03 -8.1140000000e-04 -6.3674000000e-03 -2.5902000000e-03 -3.3652000000e-03  7.6960000000e-03 -3.5200000000e-04  3.0991000000e-03 -2.2240000000e-03
+
+JOB 16
+COORDS -1.0163130000e+00  2.6220600000e-01 -9.7891300000e-01 -5.6965500000e-01  2.0043300000e-01 -1.8232540000e+00 -9.2735300000e-01  1.1813770000e+00 -7.2703400000e-01  9.5850200000e-01 -2.8167900000e-01  1.0544000000e+00  6.4607500000e-01 -9.4492000000e-01  4.3898700000e-01  1.8723300000e+00 -1.3771100000e-01  8.0859000000e-01
+ENERGY -1.526544805598e+02
+FORCES  4.4880000000e-03  5.8944000000e-03  2.4332000000e-03 -5.4760000000e-04 -9.5710000000e-04  4.3499000000e-03 -1.8247000000e-03 -2.9623000000e-03 -3.3626000000e-03 -3.0041000000e-03 -2.1313000000e-03 -7.0401000000e-03  4.9661000000e-03 -6.2600000000e-05  3.7101000000e-03 -4.0776000000e-03  2.1880000000e-04 -9.0500000000e-05
+
+JOB 17
+COORDS -8.6163000000e-01  1.0156730000e+00 -6.2233400000e-01 -6.4184700000e-01  4.9601700000e-01  1.5089600000e-01 -6.9543100000e-01  1.9206500000e+00 -3.5846300000e-01  8.1067200000e-01 -1.0814200000e+00  5.2488300000e-01  1.2586460000e+00 -2.6246000000e-01  3.1309000000e-01  8.8993100000e-01 -1.1594040000e+00  1.4756030000e+00
+ENERGY -1.526560841328e+02
+FORCES  4.7240000000e-04 -3.8156000000e-03  4.7472000000e-03  2.0990000000e-04  7.9583000000e-03 -2.6128000000e-03  1.1919000000e-03 -4.7085000000e-03 -2.9610000000e-04  5.2745000000e-03  1.1100000000e-03 -3.7850000000e-04 -5.1225000000e-03 -2.7315000000e-03  3.5227000000e-03 -2.0261000000e-03  2.1874000000e-03 -4.9826000000e-03
+
+JOB 18
+COORDS  1.1460930000e+00 -1.1883500000e-01  9.1144200000e-01  1.4974890000e+00 -9.5462500000e-01  1.2183750000e+00  5.1009700000e-01 -3.5886000000e-01  2.3755100000e-01 -1.0813840000e+00  1.7966100000e-01 -8.5107500000e-01 -1.7017860000e+00 -4.9687800000e-01 -1.1224210000e+00 -1.3573830000e+00  9.6309600000e-01 -1.3267720000e+00
+ENERGY -1.526595987431e+02
+FORCES -6.0631000000e-03 -8.4480000000e-04 -5.1070000000e-03 -2.4271000000e-03  2.2972000000e-03 -1.8640000000e-03  7.3211000000e-03 -3.4751000000e-03  5.6339000000e-03 -1.7680000000e-03  3.4597000000e-03 -1.3836000000e-03  3.4375000000e-03  2.9196000000e-03  1.3522000000e-03 -5.0040000000e-04 -4.3566000000e-03  1.3685000000e-03
+
+JOB 19
+COORDS  3.4591900000e-01  7.7649200000e-01 -1.2227970000e+00  1.7887800000e-01  5.0820000000e-02 -6.2135800000e-01  1.2141910000e+00  5.9503600000e-01 -1.5825290000e+00 -4.3638900000e-01 -6.8902400000e-01  1.1668570000e+00 -2.4050200000e-01 -1.6201600000e+00  1.2710030000e+00  1.8201900000e-01 -2.4714300000e-01  1.7487030000e+00
+ENERGY -1.526600516018e+02
+FORCES -1.4143000000e-03 -6.1734000000e-03  5.7607000000e-03  5.0868000000e-03  4.7579000000e-03 -8.4157000000e-03 -2.8754000000e-03 -1.6340000000e-04  2.4763000000e-03  1.5303000000e-03 -2.9470000000e-04  5.5974000000e-03  1.3180000000e-04  5.2019000000e-03 -1.6733000000e-03 -2.4592000000e-03 -3.3284000000e-03 -3.7453000000e-03
+
+JOB 20
+COORDS  1.2374920000e+00  5.8174900000e-01 -5.0455400000e-01  1.0273880000e+00  4.7908400000e-01 -1.4327500000e+00  8.2136300000e-01  1.4065790000e+00 -2.5410700000e-01 -1.2127510000e+00 -5.8465400000e-01  4.8788900000e-01 -1.8409640000e+00 -1.1752020000e+00  9.0362000000e-01 -4.2435300000e-01 -6.5547800000e-01  1.0260760000e+00
+ENERGY -1.526567109410e+02
+FORCES -7.1161000000e-03  1.3154000000e-03 -4.0711000000e-03  2.4545000000e-03  1.3617000000e-03  2.8859000000e-03  2.8207000000e-03 -3.0850000000e-03 -1.6020000000e-04  4.7989000000e-03 -1.6205000000e-03  2.4914000000e-03  3.4660000000e-03  2.3038000000e-03 -2.1040000000e-03 -6.4240000000e-03 -2.7540000000e-04  9.5800000000e-04
+
+JOB 21
+COORDS  1.3471500000e-01 -1.5017110000e+00  2.6974800000e-01  6.9300000000e-03 -5.9057600000e-01  5.3382500000e-01  2.4433300000e-01 -1.4630830000e+00 -6.8036900000e-01 -1.0274400000e-01  1.4129630000e+00 -2.8264400000e-01 -9.6777400000e-01  1.8221910000e+00 -3.0470000000e-01  2.0488900000e-01  1.5501930000e+00  6.1332600000e-01
+ENERGY -1.526571185719e+02
+FORCES -9.0890000000e-04  9.7929000000e-03 -6.6951000000e-03  1.5880000000e-03 -3.3058000000e-03  5.9885000000e-03 -1.2150000000e-04 -3.0352000000e-03  2.6886000000e-03 -2.3470000000e-03  3.9328000000e-03  1.8527000000e-03  4.4755000000e-03 -2.2517000000e-03  4.1050000000e-04 -2.6861000000e-03 -5.1330000000e-03 -4.2452000000e-03
+
+JOB 22
+COORDS  1.2320100000e+00  7.2523600000e-01  2.4972600000e-01  1.0836720000e+00  1.6707870000e+00  2.6241400000e-01  1.8771390000e+00  5.9282000000e-01 -4.4490200000e-01 -1.3304700000e+00 -8.0045100000e-01 -2.1043500000e-01 -7.2618200000e-01 -6.3513600000e-01 -9.3413300000e-01 -8.7681200000e-01 -4.6441500000e-01  5.6255000000e-01
+ENERGY -1.526581008090e+02
+FORCES  2.4348000000e-03  3.3123000000e-03 -2.4565000000e-03  4.7040000000e-04 -4.7265000000e-03 -1.8450000000e-04 -3.9134000000e-03  6.4800000000e-04  2.4159000000e-03  9.9483000000e-03  4.8868000000e-03  1.4203000000e-03 -3.3266000000e-03 -1.9818000000e-03 -9.2230000000e-04 -5.6135000000e-03 -2.1387000000e-03 -2.7290000000e-04
+
+JOB 23
+COORDS -1.2721730000e+00  3.1060600000e-01 -6.1936200000e-01 -2.2186410000e+00  2.5740900000e-01 -7.5203100000e-01 -9.0154300000e-01  2.2531400000e-01 -1.4977640000e+00  1.3370990000e+00 -3.3902500000e-01  7.1261800000e-01  1.4861110000e+00 -7.1064000000e-02 -1.9414800000e-01  5.1867100000e-01  9.2003000000e-02  9.5883200000e-01
+ENERGY -1.526568587535e+02
+FORCES -2.2538000000e-03 -1.8755000000e-03 -4.2403000000e-03  4.3116000000e-03  3.0800000000e-05  2.6830000000e-04 -7.1370000000e-04  9.5580000000e-04  4.0642000000e-03 -7.9768000000e-03  3.4274000000e-03 -4.2302000000e-03  6.0990000000e-04 -1.3022000000e-03  1.6220000000e-03  6.0229000000e-03 -1.2363000000e-03  2.5158000000e-03
+
+JOB 24
+COORDS  5.2265600000e-01 -6.3353900000e-01  1.2937700000e+00 -7.3880000000e-03 -5.7335000000e-01  2.0885420000e+00  4.3720000000e-02 -1.1637800000e-01  6.4616200000e-01 -4.5603000000e-01  5.6426600000e-01 -1.2456350000e+00  2.8000000000e-03  3.1628500000e-01 -2.0482630000e+00 -9.0451400000e-01  1.3801680000e+00 -1.4678930000e+00
+ENERGY -1.526610516914e+02
+FORCES -4.5765000000e-03  3.5407000000e-03 -4.6738000000e-03  1.2468000000e-03  4.7070000000e-04 -3.0827000000e-03  2.6788000000e-03 -3.5766000000e-03  9.2086000000e-03  1.5849000000e-03  9.8680000000e-04 -4.7803000000e-03 -3.0016000000e-03  2.3637000000e-03  2.6458000000e-03  2.0675000000e-03 -3.7852000000e-03  6.8240000000e-04
+
+JOB 25
+COORDS  1.1897460000e+00 -8.3854600000e-01  1.8611000000e-01  2.0188620000e+00 -1.3104860000e+00  2.6402600000e-01  5.2404000000e-01 -1.4806090000e+00  4.3273400000e-01 -1.2113800000e+00  9.6210700000e-01 -1.9746100000e-01 -3.4081700000e-01  5.8682500000e-01 -3.2980400000e-01 -1.7989380000e+00  2.0657100000e-01 -1.8425500000e-01
+ENERGY -1.526582487441e+02
+FORCES  2.6755000000e-03 -4.1732000000e-03  2.0852000000e-03 -4.2550000000e-03  1.0226000000e-03  3.8520000000e-04  2.0986000000e-03  3.8183000000e-03 -2.4692000000e-03  5.1044000000e-03 -4.7701000000e-03 -4.7270000000e-04 -8.1016000000e-03  2.3284000000e-03 -1.3670000000e-04  2.4781000000e-03  1.7741000000e-03  6.0830000000e-04
+
+JOB 26
+COORDS -1.1095560000e+00 -6.3069500000e-01 -6.9606500000e-01 -2.0076680000e+00 -6.5067900000e-01 -1.0265620000e+00 -6.9696800000e-01 -1.4067150000e+00 -1.0752700000e+00  1.1747730000e+00  7.2223900000e-01  7.6433700000e-01  1.4757220000e+00  1.1973000000e-02  1.9760600000e-01  2.2814800000e-01  5.9479400000e-01  8.2671200000e-01
+ENERGY -1.526577748002e+02
+FORCES -2.0706000000e-03 -2.9773000000e-03 -3.5877000000e-03  4.1557000000e-03 -2.3240000000e-04  1.3608000000e-03 -1.1603000000e-03  3.8047000000e-03  1.9071000000e-03 -6.9695000000e-03 -4.8085000000e-03 -5.1583000000e-03  1.0655000000e-03  1.3984000000e-03  1.8538000000e-03  4.9792000000e-03  2.8151000000e-03  3.6243000000e-03
+
+JOB 27
+COORDS  6.4308100000e-01 -1.3525460000e+00 -1.0262300000e-01  6.5306200000e-01 -1.4349890000e+00  8.5096700000e-01  1.5634620000e+00 -1.4133970000e+00 -3.5841300000e-01 -7.6584800000e-01  1.3428880000e+00  5.0853000000e-02 -4.6451000000e-01  2.2074230000e+00  3.3015000000e-01  3.6757000000e-02  8.3315900000e-01 -5.9754000000e-02
+ENERGY -1.526581566145e+02
+FORCES  2.3303000000e-03 -5.2401000000e-03  3.2755000000e-03  9.2460000000e-04  1.6574000000e-03 -5.0920000000e-03 -4.6528000000e-03  2.0601000000e-03  1.4967000000e-03  4.6642000000e-03 -2.8717000000e-03 -1.2429000000e-03 -2.2270000000e-04 -4.0684000000e-03 -8.5820000000e-04 -3.0436000000e-03  8.4627000000e-03  2.4210000000e-03
+
+JOB 28
+COORDS -2.6814000000e-02  5.1780100000e-01 -1.3899590000e+00 -1.6279800000e-01  3.8196200000e-01 -2.3276620000e+00  4.3429900000e-01  1.3546840000e+00 -1.3330860000e+00 -2.0321000000e-02 -6.1230000000e-01  1.4318630000e+00  5.9786200000e-01 -3.5188800000e-01  2.1147010000e+00 -7.3425000000e-02  1.4847700000e-01  8.5339000000e-01
+ENERGY -1.526560648020e+02
+FORCES  6.6050000000e-04  1.2050000000e-04 -5.8211000000e-03  1.2495000000e-03  1.4579000000e-03  3.6494000000e-03 -2.4560000000e-03 -4.2296000000e-03  2.0745000000e-03  1.2735000000e-03  3.6245000000e-03 -4.0325000000e-03 -2.0437000000e-03 -4.3490000000e-04 -3.2316000000e-03  1.3162000000e-03 -5.3850000000e-04  7.3613000000e-03
+
+JOB 29
+COORDS -5.8488400000e-01  3.4307900000e-01  1.3592410000e+00 -1.2192300000e+00 -3.7306800000e-01  1.3280810000e+00 -1.1067330000e+00  1.1323780000e+00  1.2146310000e+00  6.2157800000e-01 -3.5000300000e-01 -1.3912480000e+00  4.0351900000e-01 -4.5538000000e-02 -5.1034900000e-01  1.5467880000e+00 -5.8999400000e-01 -1.3400470000e+00
+ENERGY -1.526617255827e+02
+FORCES -6.8539000000e-03  4.9620000000e-04  2.2549000000e-03  3.5100000000e-03  3.9643000000e-03 -3.6680000000e-04  2.7222000000e-03 -4.2672000000e-03  1.5460000000e-04  1.1292000000e-03  1.6268000000e-03  7.6485000000e-03  2.6340000000e-03 -2.5934000000e-03 -9.8192000000e-03 -3.1416000000e-03  7.7340000000e-04  1.2790000000e-04
+
+JOB 30
+COORDS -3.5526500000e-01 -1.4754630000e+00  5.0802400000e-01 -2.5398400000e-01 -9.6714200000e-01  1.3127510000e+00 -1.3904200000e-01 -8.6063000000e-01 -1.9301800000e-01  3.5422000000e-01  1.3492980000e+00 -5.0049900000e-01  4.2097400000e-01  1.8099060000e+00 -1.3369300000e+00 -3.7820000000e-02  1.9882500000e+00  9.4712000000e-02
+ENERGY -1.526593268440e+02
+FORCES  3.0249000000e-03  9.0120000000e-03 -1.2337000000e-03 -1.1723000000e-03 -2.2755000000e-03 -1.1446000000e-03 -1.9826000000e-03 -7.3150000000e-03  1.6472000000e-03 -1.3403000000e-03  5.4628000000e-03 -6.3890000000e-04 -5.9540000000e-04 -1.9953000000e-03  3.9708000000e-03  2.0657000000e-03 -2.8889000000e-03 -2.6007000000e-03
+
+JOB 31
+COORDS -5.1511600000e-01  4.4195300000e-01 -1.4493040000e+00 -3.7580400000e-01  1.3088260000e+00 -1.0680470000e+00 -1.0304500000e-01 -1.6128200000e-01 -8.3080800000e-01  5.0052100000e-01 -4.0397300000e-01  1.3470780000e+00 -2.1258000000e-01 -4.2301900000e-01  1.9853230000e+00  9.3238800000e-01 -1.2526550000e+00  1.4443540000e+00
+ENERGY -1.526598548930e+02
+FORCES  4.2011000000e-03  4.0590000000e-04  9.0109000000e-03 -1.4911000000e-03 -1.6776000000e-03 -2.4975000000e-03 -2.2600000000e-03  2.1010000000e-04 -7.6413000000e-03 -1.5393000000e-03 -2.7515000000e-03  5.2777000000e-03  3.8241000000e-03 -1.0670000000e-04 -2.7006000000e-03 -2.7348000000e-03  3.9198000000e-03 -1.4492000000e-03
+
+JOB 32
+COORDS -7.6700400000e-01  3.6191800000e-01  1.2828350000e+00  9.8424000000e-02 -2.8999000000e-02  1.4030440000e+00 -1.3460620000e+00 -1.6223800000e-01  1.8361740000e+00  8.2237700000e-01 -3.1270000000e-01 -1.3045680000e+00  8.7114000000e-02 -5.1363700000e-01 -7.2556600000e-01  4.1400300000e-01 -6.8053000000e-02 -2.1349960000e+00
+ENERGY -1.526577972395e+02
+FORCES  2.0519000000e-03 -7.8490000000e-04  5.9233000000e-03 -6.0410000000e-03 -1.1470000000e-04 -2.8737000000e-03  2.8741000000e-03  2.0484000000e-03 -3.3179000000e-03 -7.0916000000e-03  2.4982000000e-03  1.2600000000e-05  6.6605000000e-03 -2.3377000000e-03 -2.4310000000e-03  1.5461000000e-03 -1.3093000000e-03  2.6866000000e-03
+
+JOB 33
+COORDS -1.1324750000e+00 -8.8410000000e-02 -1.0383880000e+00 -1.5080070000e+00 -4.9297500000e-01 -1.8203950000e+00 -1.9102900000e-01 -6.3628000000e-02 -1.2095540000e+00  1.0469620000e+00  1.2040800000e-01  1.1458590000e+00  1.2700640000e+00 -6.9577200000e-01  6.9830000000e-01  1.6300130000e+00  7.7346900000e-01  7.5882700000e-01
+ENERGY -1.526518595964e+02
+FORCES  3.0555000000e-03 -1.0100000000e-04 -2.0028000000e-03  2.0737000000e-03  1.4939000000e-03  4.0883000000e-03 -2.8772000000e-03 -1.3531000000e-03 -1.2414000000e-03  1.9637000000e-03 -1.1800000000e-03 -1.1920000000e-03 -8.5890000000e-04  4.4866000000e-03  6.9300000000e-05 -3.3567000000e-03 -3.3464000000e-03  2.7860000000e-04
+
+JOB 34
+COORDS  2.6279000000e-02  1.3641540000e+00  6.5056100000e-01  7.1810300000e-01  1.9530720000e+00  3.4925200000e-01 -7.7326500000e-01  1.8881080000e+00  6.0123700000e-01  3.4660000000e-02 -1.4704570000e+00 -6.3904100000e-01 -3.2506000000e-02 -6.7395100000e-01 -1.1244900000e-01 -8.3996200000e-01 -1.5873750000e+00 -1.0099830000e+00
+ENERGY -1.526608015417e+02
+FORCES  7.3710000000e-04  6.1953000000e-03 -1.3465000000e-03 -3.8732000000e-03 -1.9039000000e-03  1.7186000000e-03  3.7208000000e-03 -2.4697000000e-03 -1.8710000000e-04 -2.8615000000e-03  6.6832000000e-03  2.7259000000e-03 -3.6230000000e-04 -9.1044000000e-03 -4.1059000000e-03  2.6390000000e-03  5.9960000000e-04  1.1949000000e-03
+
+JOB 35
+COORDS  8.6397100000e-01 -4.5014700000e-01 -1.1871620000e+00  1.7465710000e+00 -6.7465300000e-01 -1.4818590000e+00  5.3427900000e-01 -1.2529890000e+00 -7.8345400000e-01 -9.0504400000e-01  4.8942500000e-01  1.2474370000e+00 -8.0064000000e-02  7.0540700000e-01  8.1270700000e-01 -1.5543280000e+00  4.9023500000e-01  5.4411500000e-01
+ENERGY -1.526593603246e+02
+FORCES  2.3743000000e-03 -5.5659000000e-03 -6.7620000000e-04 -3.9087000000e-03  6.4730000000e-04  1.7068000000e-03  1.8576000000e-03  4.1539000000e-03 -2.5123000000e-03  2.4551000000e-03  2.0810000000e-03 -7.1786000000e-03 -4.2308000000e-03 -3.6130000000e-04  5.3193000000e-03  1.4524000000e-03 -9.5490000000e-04  3.3410000000e-03
+
+JOB 36
+COORDS  1.2427920000e+00  9.4578100000e-01  4.1034700000e-01  1.0103390000e+00  1.7384730000e+00 -7.3220000000e-02  6.0911800000e-01  2.9113600000e-01  1.1687000000e-01 -1.1332610000e+00 -9.4132300000e-01 -3.3671300000e-01 -1.3990550000e+00 -1.6972950000e+00 -8.6025200000e-01 -1.9086020000e+00 -3.8045600000e-01 -3.1418000000e-01
+ENERGY -1.526604456208e+02
+FORCES -5.4662000000e-03 -2.9459000000e-03 -3.8470000000e-03  3.5360000000e-04 -2.4167000000e-03  1.7698000000e-03  6.2288000000e-03  6.8368000000e-03  2.4902000000e-03 -5.0119000000e-03 -2.7816000000e-03 -2.0351000000e-03 -8.1800000000e-05  3.6942000000e-03  2.4193000000e-03  3.9774000000e-03 -2.3868000000e-03 -7.9720000000e-04
+
+JOB 37
+COORDS -1.4771090000e+00 -1.4876200000e-01 -6.8471700000e-01 -1.0513280000e+00  6.1710600000e-01 -1.0699290000e+00 -1.1100660000e+00 -2.0915300000e-01  1.9724900000e-01  1.3901990000e+00  7.2455000000e-02  6.5057600000e-01  1.7355010000e+00  4.3797500000e-01  1.4650650000e+00  1.9180380000e+00  4.7804800000e-01 -3.7256000000e-02
+ENERGY -1.526573006992e+02
+FORCES  7.5384000000e-03  2.4762000000e-03  4.0173000000e-03 -2.2115000000e-03 -1.9815000000e-03 -3.7060000000e-04 -5.8960000000e-03 -9.8300000000e-05 -2.6565000000e-03  5.4678000000e-03  2.2090000000e-03 -4.7740000000e-04 -2.2170000000e-03 -1.5557000000e-03 -3.8054000000e-03 -2.6817000000e-03 -1.0498000000e-03  3.2924000000e-03
+
+JOB 38
+COORDS  6.4018000000e-01 -1.4479650000e+00  2.3138500000e-01  1.1775300000e+00 -1.3466710000e+00 -5.5425200000e-01  1.2720490000e+00 -1.5165240000e+00  9.4711800000e-01 -6.9133500000e-01  1.4652800000e+00 -2.9363200000e-01 -2.9868600000e-01  7.3466600000e-01  1.8413500000e-01 -1.2475750000e+00  1.9024020000e+00  3.5115800000e-01
+ENERGY -1.526596556608e+02
+FORCES  5.9960000000e-03 -3.8094000000e-03 -1.8638000000e-03 -2.4241000000e-03 -7.5800000000e-05  4.5948000000e-03 -3.3228000000e-03  1.3187000000e-03 -3.2400000000e-03 -3.3470000000e-04 -4.4612000000e-03  4.3558000000e-03 -2.1457000000e-03  8.7824000000e-03 -1.9116000000e-03  2.2312000000e-03 -1.7548000000e-03 -1.9352000000e-03
+
+JOB 39
+COORDS -2.2838800000e-01  9.6918200000e-01 -1.2937300000e+00  3.6423500000e-01  1.3459780000e+00 -6.4330400000e-01 -2.4421700000e-01  1.6105960000e+00 -2.0040600000e+00  2.0443600000e-01 -1.0256520000e+00  1.3646780000e+00 -4.3529300000e-01 -5.3115500000e-01  8.5237700000e-01  6.5969500000e-01 -1.5682620000e+00  7.2082600000e-01
+ENERGY -1.526583727236e+02
+FORCES  2.4195000000e-03  5.4010000000e-03 -1.8880000000e-03 -3.8375000000e-03 -2.2501000000e-03 -3.0009000000e-03  7.1890000000e-04 -2.4570000000e-03  3.1571000000e-03 -2.2466000000e-03 -1.2405000000e-03 -6.3413000000e-03  3.8791000000e-03 -1.2706000000e-03  4.6850000000e-03 -9.3350000000e-04  1.8171000000e-03  3.3881000000e-03
+
+JOB 40
+COORDS  1.0919810000e+00 -1.7019200000e-01  1.2649060000e+00  8.2143200000e-01 -4.2318800000e-01  2.1475320000e+00  7.0141100000e-01  6.9361400000e-01  1.1325220000e+00 -1.1306700000e+00  1.4613000000e-01 -1.3060060000e+00 -6.3920400000e-01 -5.3264500000e-01 -8.4344900000e-01 -4.5876500000e-01  7.0436900000e-01 -1.6973420000e+00
+ENERGY -1.526580058357e+02
+FORCES -2.2942000000e-03  3.3423000000e-03  5.0041000000e-03  1.1281000000e-03  1.1226000000e-03 -3.8430000000e-03  2.4771000000e-03 -4.2792000000e-03 -7.8800000000e-05  5.7943000000e-03 -2.4370000000e-03  2.0700000000e-04 -4.1981000000e-03  3.4764000000e-03 -3.4613000000e-03 -2.9072000000e-03 -1.2251000000e-03  2.1720000000e-03
+
+JOB 41
+COORDS -1.2691230000e+00  1.1960470000e+00  1.1227400000e-01 -6.2054400000e-01  6.2593100000e-01 -3.0069600000e-01 -1.6172550000e+00  6.7750700000e-01  8.3763700000e-01  1.1940470000e+00 -1.1530410000e+00 -1.5437100000e-01  1.2920400000e+00 -5.3827200000e-01  5.7273800000e-01  2.0896560000e+00 -1.3268840000e+00 -4.4401900000e-01
+ENERGY -1.526578161319e+02
+FORCES  4.5100000000e-04 -6.0117000000e-03 -8.2910000000e-04 -3.0619000000e-03  5.3013000000e-03  4.0566000000e-03  1.9597000000e-03  2.5429000000e-03 -2.1376000000e-03  6.7497000000e-03 -1.8840000000e-04  1.5785000000e-03 -2.3326000000e-03 -2.3251000000e-03 -4.5215000000e-03 -3.7659000000e-03  6.8100000000e-04  1.8531000000e-03
+
+JOB 42
+COORDS  1.7421910000e+00 -3.7478400000e-01 -3.9299200000e-01  2.3499670000e+00 -1.1132550000e+00 -4.3173800000e-01  8.8881000000e-01 -7.7483300000e-01 -2.2586300000e-01 -1.7372080000e+00  4.0602400000e-01  3.1862000000e-01 -1.4889500000e+00  1.2393540000e+00  7.1882200000e-01 -1.8702370000e+00 -1.8565900000e-01  1.0591910000e+00
+ENERGY -1.526564462363e+02
+FORCES -2.4624000000e-03 -4.0188000000e-03 -3.3860000000e-04 -2.6420000000e-03  2.8196000000e-03  3.4930000000e-04  6.1800000000e-03 -4.1200000000e-05  1.9390000000e-04 -1.0003000000e-03  3.3717000000e-03  4.9160000000e-03 -1.7290000000e-03 -3.9257000000e-03 -1.4109000000e-03  1.6537000000e-03  1.7943000000e-03 -3.7097000000e-03
+
+JOB 43
+COORDS  3.0395200000e-01  1.7629910000e+00 -4.5472900000e-01  1.2300400000e+00  1.9955950000e+00 -3.8773200000e-01  1.4075500000e-01  1.2059350000e+00  3.0638000000e-01 -3.9851800000e-01 -1.7191000000e+00  4.3677300000e-01  3.4730200000e-01 -2.1937810000e+00  8.0373700000e-01 -2.4166000000e-01 -1.7186930000e+00 -5.0748800000e-01
+ENERGY -1.526570985687e+02
+FORCES  2.0883000000e-03 -1.8549000000e-03  4.4185000000e-03 -3.4764000000e-03 -1.2003000000e-03 -4.1270000000e-04  1.8477000000e-03  4.6847000000e-03 -3.7778000000e-03  2.8398000000e-03 -3.7271000000e-03 -3.5578000000e-03 -2.9123000000e-03  2.6260000000e-03 -1.4537000000e-03 -3.8700000000e-04 -5.2830000000e-04  4.7836000000e-03
+
+JOB 44
+COORDS -1.6040010000e+00  2.4018000000e-02  9.8850100000e-01 -1.4862900000e+00 -8.0413000000e-02  4.4324000000e-02 -8.2953400000e-01 -3.8593300000e-01  1.3736950000e+00  1.5873030000e+00  5.1304000000e-02 -9.8589400000e-01  1.3182950000e+00 -3.7333000000e-02 -7.1558000000e-02  1.2575740000e+00 -7.4045600000e-01 -1.4108960000e+00
+ENERGY -1.526528133016e+02
+FORCES  2.4606000000e-03 -1.4588000000e-03 -2.5387000000e-03 -2.5280000000e-04 -5.6060000000e-04  4.7630000000e-03 -1.8260000000e-03  2.0027000000e-03 -2.6186000000e-03 -6.9730000000e-04 -3.1935000000e-03  1.7534000000e-03 -1.0580000000e-04 -6.4490000000e-04 -3.7310000000e-03  4.2130000000e-04  3.8551000000e-03  2.3719000000e-03
+
+JOB 45
+COORDS  1.5726900000e+00  8.9011200000e-01 -5.3458000000e-01  8.0053500000e-01  6.7368800000e-01 -1.0572350000e+00  1.2463670000e+00  9.4700500000e-01  3.6347800000e-01 -1.5144720000e+00 -8.9147800000e-01  4.5379100000e-01 -1.3695010000e+00 -9.2355000000e-02  9.6036600000e-01 -1.7617360000e+00 -1.5473230000e+00  1.1056800000e+00
+ENERGY -1.526546459807e+02
+FORCES -5.0222000000e-03 -2.5930000000e-03  9.5330000000e-04  3.9038000000e-03  2.6521000000e-03  2.0024000000e-03  8.3940000000e-04  7.0630000000e-04 -2.7932000000e-03 -1.6437000000e-03 -1.0534000000e-03  5.4207000000e-03  1.0068000000e-03 -2.8173000000e-03 -2.9351000000e-03  9.1580000000e-04  3.1053000000e-03 -2.6482000000e-03
+
+JOB 46
+COORDS -5.7724200000e-01 -1.4953850000e+00  9.8212700000e-01 -5.1446000000e-01 -8.4818900000e-01  2.7968300000e-01  2.9792100000e-01 -1.8797090000e+00  1.0332740000e+00  5.2665300000e-01  1.4126420000e+00 -9.5304100000e-01  6.5677500000e-01  2.0655270000e+00 -1.6408210000e+00  3.3019600000e-01  1.9256920000e+00 -1.6919400000e-01
+ENERGY -1.526581073771e+02
+FORCES  4.3150000000e-03  1.5522000000e-03 -4.2672000000e-03 -1.6238000000e-03 -3.9159000000e-03  5.2109000000e-03 -3.3952000000e-03  1.0263000000e-03  4.0980000000e-04  4.3360000000e-04  6.4269000000e-03 -9.8920000000e-04 -3.5690000000e-04 -2.2614000000e-03  3.3044000000e-03  6.2730000000e-04 -2.8282000000e-03 -3.6688000000e-03
+
+JOB 47
+COORDS  7.8929000000e-01 -1.1347370000e+00  1.1878230000e+00  1.6876250000e+00 -1.2088020000e+00  1.5099120000e+00  7.5995500000e-01 -1.7108300000e+00  4.2396000000e-01 -7.9552000000e-01  1.1613210000e+00 -1.2152360000e+00 -8.4298200000e-01  6.4745700000e-01 -4.0905800000e-01 -1.4963610000e+00  1.8076180000e+00 -1.1294860000e+00
+ENERGY -1.526571770479e+02
+FORCES  5.4902000000e-03 -2.9874000000e-03 -1.2343000000e-03 -3.7112000000e-03 -3.6650000000e-04 -1.1832000000e-03 -5.5540000000e-04  2.8698000000e-03  3.4804000000e-03 -2.1996000000e-03  4.1110000000e-04  4.9266000000e-03 -1.7116000000e-03  2.5002000000e-03 -5.6575000000e-03  2.6876000000e-03 -2.4272000000e-03 -3.3200000000e-04
+
+JOB 48
+COORDS  4.3250800000e-01  1.3949600000e+00  1.1601130000e+00  5.2323200000e-01  9.6926800000e-01  3.0759500000e-01  8.9678500000e-01  2.2264640000e+00  1.0637780000e+00 -4.5722200000e-01 -1.4748620000e+00 -1.0702270000e+00 -1.2502670000e+00 -9.3889500000e-01 -1.0630870000e+00  1.5907100000e-01 -9.8431800000e-01 -1.6140850000e+00
+ENERGY -1.526539465009e+02
+FORCES  2.6574000000e-03  5.8750000000e-04 -3.1717000000e-03 -4.5010000000e-04  3.7110000000e-03  2.4185000000e-03 -2.0104000000e-03 -3.6637000000e-03  1.1350000000e-04 -2.3109000000e-03  2.0505000000e-03 -2.9578000000e-03  4.4102000000e-03 -1.9704000000e-03 -2.6750000000e-04 -2.2962000000e-03 -7.1500000000e-04  3.8649000000e-03
+
+JOB 49
+COORDS  1.2360710000e+00 -7.4195400000e-01  1.2057690000e+00  8.0349400000e-01 -5.5172700000e-01  3.7334900000e-01  1.9776870000e+00 -1.2989160000e+00  9.6906200000e-01 -1.2379050000e+00  7.1631000000e-01 -1.1048330000e+00 -1.5625010000e+00  1.6034900000e+00 -9.5061800000e-01 -1.1862440000e+00  6.4192400000e-01 -2.0577390000e+00
+ENERGY -1.526574441591e+02
+FORCES -5.5320000000e-04 -6.1890000000e-04 -4.9496000000e-03  4.9454000000e-03 -2.6392000000e-03  4.6586000000e-03 -2.7859000000e-03  2.1179000000e-03  7.0090000000e-04 -2.9847000000e-03  4.8041000000e-03 -3.2272000000e-03  1.1324000000e-03 -3.8113000000e-03 -1.4097000000e-03  2.4590000000e-04  1.4730000000e-04  4.2271000000e-03
+
+JOB 50
+COORDS  1.4162960000e+00  1.3113030000e+00 -1.4211900000e-01  1.2534340000e+00  1.2348840000e+00 -1.0822620000e+00  7.5319700000e-01  1.9285780000e+00  1.6691700000e-01 -1.4155630000e+00 -1.3310280000e+00  2.2437500000e-01 -5.1694300000e-01 -1.6259380000e+00  3.7183100000e-01 -1.4871510000e+00 -1.2455750000e+00 -7.2631100000e-01
+ENERGY -1.526550550087e+02
+FORCES -4.0637000000e-03  3.0440000000e-03 -1.9116000000e-03  5.9950000000e-04 -3.7930000000e-04  3.6796000000e-03  3.3795000000e-03 -2.0652000000e-03 -1.6701000000e-03  4.6477000000e-03 -6.7480000000e-04 -2.7345000000e-03 -4.6240000000e-03  6.2300000000e-05 -8.5010000000e-04  6.1000000000e-05  1.2900000000e-05  3.4867000000e-03
+
+JOB 51
+COORDS  5.1750400000e-01  1.7788930000e+00 -8.0185200000e-01  2.8762300000e-01  1.6473510000e+00  1.1797600000e-01  2.4574000000e-01  2.6769860000e+00 -9.9107500000e-01 -5.4021800000e-01 -1.7954620000e+00  7.3824500000e-01 -4.7573000000e-01 -2.6377670000e+00  1.1883520000e+00  3.6713800000e-01 -1.5495700000e+00  5.5803800000e-01
+ENERGY -1.526549671522e+02
+FORCES -3.1977000000e-03  3.3059000000e-03  2.7797000000e-03  2.1591000000e-03  5.6450000000e-04 -3.8487000000e-03  1.2205000000e-03 -3.4909000000e-03  7.9650000000e-04  4.1170000000e-03 -3.0536000000e-03  1.3800000000e-04 -2.9280000000e-04  3.4677000000e-03 -1.8545000000e-03 -4.0062000000e-03 -7.9370000000e-04  1.9890000000e-03
+
+JOB 52
+COORDS  1.2558320000e+00 -1.3456350000e+00 -8.5870100000e-01  1.1773780000e+00 -9.1487600000e-01 -1.7098900000e+00  2.1741360000e+00 -1.2296610000e+00 -6.1477400000e-01 -1.3243930000e+00  1.3894220000e+00  8.7534900000e-01 -1.2321120000e+00  1.0165770000e+00  1.7521060000e+00 -1.1875050000e+00  6.4917400000e-01  2.8414100000e-01
+ENERGY -1.526562010486e+02
+FORCES  4.8438000000e-03  1.8740000000e-03 -2.8054000000e-03 -2.1560000000e-04 -1.7100000000e-03  3.8767000000e-03 -3.8157000000e-03 -7.0000000000e-04 -1.1641000000e-03  1.7002000000e-03 -5.6276000000e-03  1.0540000000e-03 -6.3900000000e-04  1.9186000000e-03 -3.0305000000e-03 -1.8737000000e-03  4.2449000000e-03  2.0693000000e-03
+
+JOB 53
+COORDS -6.2815000000e-01 -2.6890200000e-01  1.9523770000e+00 -1.0511220000e+00  3.0511700000e-01  2.5909920000e+00 -3.4369100000e-01  3.1902000000e-01  1.2526180000e+00  6.4283800000e-01  2.7067900000e-01 -1.9455950000e+00  7.3111300000e-01 -3.5683600000e-01 -1.2281940000e+00  4.9412700000e-01 -2.7057500000e-01 -2.7209410000e+00
+ENERGY -1.526553654506e+02
+FORCES -1.2633000000e-03  5.6805000000e-03  2.8040000000e-04  1.7017000000e-03 -2.4373000000e-03 -2.4347000000e-03 -3.5590000000e-04 -3.9380000000e-03  2.7571000000e-03 -5.9900000000e-05 -5.7425000000e-03 -1.4640000000e-03 -8.5400000000e-04  4.1005000000e-03 -2.1907000000e-03  8.3130000000e-04  2.3368000000e-03  3.0520000000e-03
+
+JOB 54
+COORDS -1.4264320000e+00 -1.2435990000e+00 -7.5760900000e-01 -1.0716120000e+00 -2.0623020000e+00 -1.1041050000e+00 -2.3484350000e+00 -1.2538440000e+00 -1.0145850000e+00  1.4531900000e+00  1.2565100000e+00  8.4833200000e-01  9.4983900000e-01  1.1396960000e+00  4.2588000000e-02  2.0234180000e+00  2.0040720000e+00  6.6882800000e-01
+ENERGY -1.526553637454e+02
+FORCES -2.8606000000e-03 -4.2428000000e-03 -1.8858000000e-03 -1.5843000000e-03  3.5811000000e-03  1.1281000000e-03  3.9007000000e-03  1.2900000000e-05  8.9370000000e-04 -8.7240000000e-04  1.7942000000e-03 -4.2524000000e-03  3.6461000000e-03  1.8153000000e-03  3.3986000000e-03 -2.2295000000e-03 -2.9607000000e-03  7.1780000000e-04
+
+JOB 55
+COORDS -1.1136500000e-01 -1.8137740000e+00 -9.4935500000e-01  4.5442900000e-01 -1.4843570000e+00 -1.6476340000e+00 -3.9407700000e-01 -2.6753600000e+00 -1.2559110000e+00  1.2674400000e-01  1.7912740000e+00  1.0135120000e+00  6.5983000000e-02  2.5994990000e+00  1.5227400000e+00 -4.3336100000e-01  1.9443950000e+00  2.5254600000e-01
+ENERGY -1.526535089657e+02
+FORCES  1.7930000000e-03 -2.3300000000e-03 -3.6642000000e-03 -2.7821000000e-03 -1.2745000000e-03  2.5322000000e-03  1.1142000000e-03  3.6038000000e-03  1.3080000000e-03 -3.1203000000e-03  3.1464000000e-03 -1.1308000000e-03  3.1570000000e-04 -3.3740000000e-03 -2.0207000000e-03  2.6794000000e-03  2.2840000000e-04  2.9755000000e-03
+
+JOB 56
+COORDS  2.1466800000e-01 -1.9905610000e+00  8.6594000000e-01  7.4636100000e-01 -1.8218450000e+00  8.8078000000e-02 -5.3724300000e-01 -1.4053680000e+00  7.7422800000e-01 -2.2576300000e-01  1.9129580000e+00 -7.6754300000e-01  2.9236200000e-01  1.5490240000e+00 -1.4854080000e+00 -2.7411300000e-01  2.8498860000e+00 -9.5743300000e-01
+ENERGY -1.526550348756e+02
+FORCES -1.2063000000e-03  4.3118000000e-03 -3.2231000000e-03 -1.7792000000e-03 -1.0798000000e-03  2.6480000000e-03  2.9770000000e-03 -3.7081000000e-03  4.3130000000e-04  1.9725000000e-03  3.7263000000e-03 -3.6641000000e-03 -2.2485000000e-03  7.0410000000e-04  3.2142000000e-03  2.8450000000e-04 -3.9544000000e-03  5.9380000000e-04
+
+JOB 57
+COORDS -1.5688010000e+00 -1.0560250000e+00 -8.4849600000e-01 -2.0474770000e+00 -1.6483330000e+00 -1.4283860000e+00 -1.5308350000e+00 -1.5185170000e+00 -1.1304000000e-02  1.6572000000e+00  1.1506650000e+00  8.3291700000e-01  1.4945600000e+00  2.1737000000e-01  6.9602000000e-01  7.8520100000e-01  1.5365000000e+00  9.1647800000e-01
+ENERGY -1.526550109117e+02
+FORCES -2.8339000000e-03 -4.8347000000e-03 -4.4600000000e-05  1.9408000000e-03  2.3876000000e-03  2.6400000000e-03  7.0360000000e-04  2.5029000000e-03 -3.2546000000e-03 -4.9242000000e-03 -2.2543000000e-03 -1.6432000000e-03  1.2246000000e-03  3.4481000000e-03  1.7015000000e-03  3.8891000000e-03 -1.2496000000e-03  6.0100000000e-04
+
+JOB 58
+COORDS  5.0279800000e-01 -1.7066840000e+00 -1.2395110000e+00  1.5757700000e-01 -1.8731600000e+00 -3.6239100000e-01  1.1649640000e+00 -2.3855320000e+00 -1.3696350000e+00 -5.5639200000e-01  1.7890160000e+00  1.1563720000e+00 -8.4201500000e-01  1.0227690000e+00  1.6538830000e+00  3.6285200000e-01  1.9028720000e+00  1.3977400000e+00
+ENERGY -1.526531053531e+02
+FORCES  9.6650000000e-04 -3.3606000000e-03  2.7536000000e-03  1.5454000000e-03  6.1330000000e-04 -3.1402000000e-03 -2.6949000000e-03  2.9791000000e-03  6.0870000000e-04  2.9024000000e-03 -2.4493000000e-03  2.3311000000e-03  1.1983000000e-03  2.6533000000e-03 -2.0086000000e-03 -3.9178000000e-03 -4.3570000000e-04 -5.4460000000e-04
+
+JOB 59
+COORDS -3.6721600000e-01  6.3914100000e-01  2.1141160000e+00 -1.9121400000e-01 -2.0934600000e-01  2.5207180000e+00  6.9446000000e-02  5.9286800000e-01  1.2635760000e+00  3.2756800000e-01 -6.5957300000e-01 -2.0833450000e+00  8.2549600000e-01 -1.0239700000e-01 -1.4851360000e+00 -1.4818600000e-01 -4.5829000000e-02 -2.6429960000e+00
+ENERGY -1.526534887543e+02
+FORCES  1.9209000000e-03 -4.5212000000e-03 -1.6613000000e-03 -5.5670000000e-04  3.8054000000e-03 -1.4776000000e-03 -9.3060000000e-04  9.4690000000e-04  2.8298000000e-03 -4.7900000000e-05  4.8550000000e-03 -1.3070000000e-03 -2.6159000000e-03 -2.4150000000e-03 -8.7080000000e-04  2.2301000000e-03 -2.6711000000e-03  2.4869000000e-03
+
+JOB 60
+COORDS  1.6398440000e+00 -1.4606810000e+00 -4.3270100000e-01  1.3612100000e+00 -2.2847420000e+00 -3.3304000000e-02  1.0093790000e+00 -1.3101110000e+00 -1.1370270000e+00 -1.5945630000e+00  1.4368730000e+00  4.3231600000e-01 -1.9068710000e+00  1.8272040000e+00  1.2486110000e+00 -1.1986630000e+00  2.1653820000e+00 -4.5983000000e-02
+ENERGY -1.526544565606e+02
+FORCES -4.8523000000e-03 -2.1816000000e-03 -7.0840000000e-04  1.4998000000e-03  2.9487000000e-03 -1.6649000000e-03  3.2614000000e-03 -9.3440000000e-04  2.1776000000e-03  9.7420000000e-04  4.6798000000e-03  1.9025000000e-03  1.0552000000e-03 -1.5257000000e-03 -3.3714000000e-03 -1.9383000000e-03 -2.9868000000e-03  1.6646000000e-03
+
+JOB 61
+COORDS  2.2747800000e+00  2.1192300000e-01 -4.6117500000e-01  1.4008360000e+00 -1.0903800000e-01 -6.8352100000e-01  2.2715590000e+00  2.7473800000e-01  4.9395600000e-01 -2.2429320000e+00 -2.3013300000e-01  3.6327700000e-01 -2.3133840000e+00  7.0168200000e-01  5.7061600000e-01 -1.9628120000e+00 -6.3782400000e-01  1.1827600000e+00
+ENERGY -1.526550075785e+02
+FORCES -4.0421000000e-03 -1.3194000000e-03  2.4884000000e-03  4.6048000000e-03  1.4949000000e-03  1.1786000000e-03  5.9000000000e-06 -1.4790000000e-04 -3.5924000000e-03 -9.0070000000e-04  2.2662000000e-03  4.5114000000e-03  7.3880000000e-04 -4.1405000000e-03 -8.5140000000e-04 -4.0660000000e-04  1.8467000000e-03 -3.7345000000e-03
+
+JOB 62
+COORDS  2.1919730000e+00  2.4101300000e-01 -5.4435500000e-01  3.1039660000e+00 -4.4997000000e-02 -4.9239700000e-01  1.8331320000e+00 -2.3598000000e-01 -1.2926480000e+00 -2.1784760000e+00 -1.5400700000e-01  5.7619500000e-01 -2.6265390000e+00 -4.9435500000e-01  1.3505550000e+00 -2.4958340000e+00 -6.9920700000e-01 -1.4371600000e-01
+ENERGY -1.526530668295e+02
+FORCES  1.5723000000e-03 -3.1103000000e-03 -2.7233000000e-03 -3.7333000000e-03  1.1930000000e-03 -1.0360000000e-04  1.8223000000e-03  1.8190000000e-03  2.7241000000e-03 -2.8358000000e-03 -3.5012000000e-03  6.2390000000e-04  1.6937000000e-03  1.3989000000e-03 -3.2393000000e-03  1.4807000000e-03  2.2006000000e-03  2.7182000000e-03
+
+JOB 63
+COORDS -2.1473370000e+00 -8.7726000000e-02 -8.4054100000e-01 -1.8823580000e+00  7.3400300000e-01 -4.2728600000e-01 -2.8784170000e+00  1.5435600000e-01 -1.4090030000e+00  2.2243710000e+00  5.4255000000e-02  8.8872600000e-01  1.5480960000e+00  5.3590900000e-01  4.1239200000e-01  2.0425070000e+00 -8.6607200000e-01  6.9858000000e-01
+ENERGY -1.526546422866e+02
+FORCES -3.1085000000e-03  4.3023000000e-03 -8.2530000000e-04 -7.7400000000e-05 -3.5823000000e-03 -1.8225000000e-03  3.0733000000e-03 -9.5020000000e-04  2.4366000000e-03 -3.7298000000e-03 -2.4571000000e-03 -3.0853000000e-03  2.6153000000e-03 -1.1402000000e-03  2.2713000000e-03  1.2270000000e-03  3.8275000000e-03  1.0252000000e-03
+
+JOB 64
+COORDS  2.4036310000e+00 -1.5209000000e-01  3.0982100000e-01  1.9540550000e+00 -5.2871000000e-02 -5.2938700000e-01  2.5756510000e+00 -1.0910580000e+00  3.8038300000e-01 -2.4348140000e+00  2.0492500000e-01 -2.3462600000e-01 -1.8572340000e+00  9.3296700000e-01 -4.6395000000e-01 -2.0023700000e+00 -5.6801800000e-01 -5.9764400000e-01
+ENERGY -1.526534521191e+02
+FORCES -4.5740000000e-04 -3.6408000000e-03 -2.8023000000e-03  1.1113000000e-03 -2.9750000000e-04  3.4583000000e-03 -8.6220000000e-04  3.9704000000e-03 -4.7540000000e-04  4.1147000000e-03  4.3600000000e-05 -1.7859000000e-03 -2.3594000000e-03 -3.2189000000e-03  4.3980000000e-04 -1.5470000000e-03  3.1431000000e-03  1.1655000000e-03
+
+JOB 65
+COORDS  2.3258230000e+00 -8.3115200000e-01 -1.9058400000e-01  2.3204200000e+00 -2.4557800000e-01 -9.4775300000e-01  1.4018840000e+00 -9.4205500000e-01  3.3626000000e-02 -2.2272690000e+00  8.3183800000e-01  2.5735900000e-01 -2.5264580000e+00  1.0560030000e+00 -6.2381500000e-01 -2.7329240000e+00  5.3637000000e-02  4.9177000000e-01
+ENERGY -1.526549893379e+02
+FORCES -4.3297000000e-03  2.6286000000e-03 -1.7126000000e-03  3.2490000000e-04 -2.5313000000e-03  2.6972000000e-03  4.2817000000e-03 -4.3700000000e-04 -1.1562000000e-03 -4.4077000000e-03 -1.6228000000e-03 -2.2867000000e-03  1.5990000000e-03 -1.1363000000e-03  3.6098000000e-03  2.5318000000e-03  3.0988000000e-03 -1.1516000000e-03
+
+JOB 66
+COORDS -8.8410300000e-01 -1.5689380000e+00  1.7423630000e+00 -1.0986000000e-02 -1.3660830000e+00  2.0781430000e+00 -1.0984830000e+00 -8.3193600000e-01  1.1704360000e+00  8.5568100000e-01  1.5307800000e+00 -1.6744430000e+00  1.1085850000e+00  1.9766060000e+00 -2.4828430000e+00  3.8931700000e-01  7.4805900000e-01 -1.9678460000e+00
+ENERGY -1.526548690134e+02
+FORCES  2.9145000000e-03  4.3750000000e-03 -5.6320000000e-04 -3.6410000000e-03 -1.1921000000e-03 -1.2730000000e-03  5.9780000000e-04 -3.5348000000e-03  1.8788000000e-03 -4.4930000000e-04 -9.8760000000e-04 -5.2084000000e-03 -1.0687000000e-03 -1.9039000000e-03  3.3006000000e-03  1.6467000000e-03  3.2434000000e-03  1.8653000000e-03
+
+JOB 67
+COORDS  1.3378500000e+00  3.7738500000e-01  2.0906260000e+00  1.0467880000e+00  4.8496600000e-01  1.1851190000e+00  5.9657400000e-01 -3.5642000000e-02  2.5335150000e+00 -1.2269410000e+00 -3.1085700000e-01 -2.0706140000e+00 -1.0941810000e+00 -1.2581790000e+00 -2.1050880000e+00 -2.1650790000e+00 -2.0560000000e-01 -1.9123400000e+00
+ENERGY -1.526551991102e+02
+FORCES -4.3239000000e-03 -9.5910000000e-04 -2.5157000000e-03  1.6005000000e-03 -5.5090000000e-04  4.5285000000e-03  2.9464000000e-03  1.4966000000e-03 -1.5379000000e-03 -3.7704000000e-03 -3.5949000000e-03 -6.7790000000e-04 -5.1120000000e-04  4.0983000000e-03  5.5470000000e-04  4.0586000000e-03 -4.9000000000e-04 -3.5170000000e-04
+
+JOB 68
+COORDS -1.2540770000e+00  1.2307760000e+00  1.6701900000e+00 -1.3670680000e+00  5.9471800000e-01  2.3765140000e+00 -7.6549100000e-01  1.9498830000e+00  2.0706910000e+00  1.2538150000e+00 -1.2630660000e+00 -1.7830320000e+00  1.7303650000e+00 -9.9382200000e-01 -9.9776800000e-01  3.3948500000e-01 -1.0534010000e+00 -1.5925780000e+00
+ENERGY -1.526552103563e+02
+FORCES  9.1510000000e-04  1.0191000000e-03  5.0827000000e-03  7.3690000000e-04  2.4991000000e-03 -3.1774000000e-03 -1.8858000000e-03 -3.1963000000e-03 -1.6897000000e-03 -2.3136000000e-03  2.5511000000e-03  4.2195000000e-03 -1.3815000000e-03 -1.3887000000e-03 -3.1828000000e-03  3.9288000000e-03 -1.4844000000e-03 -1.2522000000e-03
+
+JOB 69
+COORDS  1.1450290000e+00  1.5743590000e+00 -1.5855560000e+00  2.8043500000e-01  1.8842600000e+00 -1.8551320000e+00  9.6629500000e-01  9.3126800000e-01 -8.9946600000e-01 -1.0969120000e+00 -1.5117090000e+00  1.5076960000e+00 -9.0146600000e-01 -2.4472730000e+00  1.4552260000e+00 -1.1037600000e+00 -1.3201990000e+00  2.4455170000e+00
+ENERGY -1.526556800267e+02
+FORCES -4.7006000000e-03 -1.8671000000e-03  2.1147000000e-03  3.5429000000e-03 -8.9040000000e-04  7.8040000000e-04  1.4842000000e-03  3.1526000000e-03 -3.2492000000e-03  3.2480000000e-04 -3.5973000000e-03  4.0791000000e-03 -7.5340000000e-04  3.9808000000e-03  2.5150000000e-04  1.0210000000e-04 -7.7860000000e-04 -3.9765000000e-03
+
+JOB 70
+COORDS  6.5058000000e-02 -8.4935100000e-01 -2.3197540000e+00  9.9137600000e-01 -6.6528200000e-01 -2.4755890000e+00 -3.9932700000e-01 -2.7892400000e-01 -2.9322830000e+00 -1.5334300000e-01  8.3349500000e-01  2.3655790000e+00  6.1849700000e-01  1.2351730000e+00  2.7645140000e+00  1.8696500000e-01  6.8622000000e-02  1.9014770000e+00
+ENERGY -1.526545508909e+02
+FORCES  1.3994000000e-03  3.3543000000e-03 -3.5706000000e-03 -3.6825000000e-03 -8.2330000000e-04  9.8860000000e-04  2.0970000000e-03 -2.4828000000e-03  2.3333000000e-03  4.2325000000e-03 -1.9164000000e-03 -7.6560000000e-04 -3.0401000000e-03 -1.5220000000e-03 -1.6400000000e-03 -1.0063000000e-03  3.3902000000e-03  2.6543000000e-03
+
+JOB 71
+COORDS  1.0413390000e+00 -6.8680200000e-01 -2.1491390000e+00  6.4208900000e-01 -1.5567580000e+00 -2.1516930000e+00  1.3352030000e+00 -5.5496400000e-01 -3.0505230000e+00 -1.0555640000e+00  7.7751200000e-01  2.2094020000e+00 -8.2200400000e-01  1.4061000000e-02  2.7374400000e+00 -9.2856400000e-01  4.9157700000e-01  1.3047780000e+00
+ENERGY -1.526548522410e+02
+FORCES  1.1050000000e-04 -2.8323000000e-03 -4.4344000000e-03  1.4138000000e-03  3.7156000000e-03  4.5550000000e-04 -1.2442000000e-03 -7.4520000000e-04  3.7019000000e-03  2.0566000000e-03 -4.0269000000e-03 -2.1008000000e-03 -1.1121000000e-03  2.9422000000e-03 -1.9683000000e-03 -1.2247000000e-03  9.4650000000e-04  4.3461000000e-03
+
+JOB 72
+COORDS -4.8320000000e-01  7.5664500000e-01 -2.5863900000e+00 -1.3635200000e+00  6.1528900000e-01 -2.2381270000e+00 -6.2031000000e-02  1.3320550000e+00 -1.9478360000e+00  5.2335300000e-01 -7.3056100000e-01  2.4872980000e+00  7.5306500000e-01 -1.6545720000e+00  2.3889810000e+00  7.9623000000e-02 -6.8236400000e-01  3.3340650000e+00
+ENERGY -1.526547449346e+02
+FORCES -1.6273000000e-03  1.6171000000e-03  4.6886000000e-03  3.3084000000e-03  5.8330000000e-04 -1.7421000000e-03 -1.7794000000e-03 -2.0293000000e-03 -3.0989000000e-03 -5.9730000000e-04 -3.8788000000e-03  3.1330000000e-03 -1.0334000000e-03  3.8400000000e-03  5.5880000000e-04  1.7291000000e-03 -1.3230000000e-04 -3.5393000000e-03
+
+JOB 73
+COORDS  1.5062200000e+00 -1.1380870000e+00  1.8583350000e+00  1.9420560000e+00 -5.2334300000e-01  2.4485620000e+00  1.1742100000e+00 -1.8279730000e+00  2.4328410000e+00 -1.5393750000e+00  1.1600230000e+00 -1.8722960000e+00 -1.8847630000e+00  9.2645600000e-01 -2.7339140000e+00 -5.9057200000e-01  1.0706030000e+00 -1.9617820000e+00
+ENERGY -1.526542961637e+02
+FORCES -2.6900000000e-05 -2.7370000000e-04  4.9299000000e-03 -1.6259000000e-03 -2.5276000000e-03 -2.4860000000e-03  1.5581000000e-03  2.7347000000e-03 -2.2897000000e-03  2.8677000000e-03 -1.7220000000e-03 -3.4487000000e-03  1.2904000000e-03  9.8830000000e-04  3.4299000000e-03 -4.0634000000e-03  8.0030000000e-04 -1.3540000000e-04
+
+JOB 74
+COORDS  9.7209900000e-01 -2.3788060000e+00 -1.2135620000e+00  1.5725450000e+00 -2.5895410000e+00 -1.9286050000e+00  1.3137460000e+00 -1.5638840000e+00 -8.4557900000e-01 -1.0194720000e+00  2.3005490000e+00  1.2764880000e+00 -1.7428460000e+00  2.5333750000e+00  6.9446200000e-01 -3.2102200000e-01  2.9140910000e+00  1.0485330000e+00
+ENERGY -1.526541400120e+02
+FORCES  3.6830000000e-03  2.6002000000e-03 -1.0032000000e-03 -2.4562000000e-03  8.9060000000e-04  2.8460000000e-03 -1.0871000000e-03 -3.4810000000e-03 -1.8925000000e-03 -5.8090000000e-04  3.5431000000e-03 -3.1874000000e-03  3.1014000000e-03 -8.3280000000e-04  2.4016000000e-03 -2.6602000000e-03 -2.7201000000e-03  8.3550000000e-04
+
+JOB 75
+COORDS  3.2312500000e-01  7.3457100000e-01  2.7670000000e+00  3.5026800000e-01  6.5455800000e-01  1.8135370000e+00 -6.0392400000e-01  8.5747300000e-01  2.9712240000e+00 -3.1764300000e-01 -7.3727800000e-01 -2.7669940000e+00  3.8627100000e-01 -9.3466000000e-02 -2.6879800000e+00 -1.5747900000e-01 -1.3565890000e+00 -2.0549310000e+00
+ENERGY -1.526539205684e+02
+FORCES -3.9738000000e-03  4.5400000000e-04 -2.8085000000e-03  1.8920000000e-04  3.3100000000e-05  3.6486000000e-03  3.9154000000e-03 -5.7590000000e-04 -8.4570000000e-04  3.7669000000e-03 -3.1890000000e-04  2.5053000000e-03 -3.1099000000e-03 -2.5723000000e-03  1.0580000000e-04 -7.8770000000e-04  2.9801000000e-03 -2.6055000000e-03
+
+JOB 76
+COORDS  1.3076300000e-01  1.6349630000e+00  2.5057890000e+00  3.4995000000e-01  7.1996100000e-01  2.3298330000e+00 -2.7767200000e-01  1.9437030000e+00  1.6970290000e+00 -1.1286500000e-01 -1.6559790000e+00 -2.4945380000e+00 -6.5587300000e-01 -8.6916100000e-01 -2.5424070000e+00  3.5782300000e-01 -1.5726440000e+00 -1.6652370000e+00
+ENERGY -1.526533385942e+02
+FORCES -8.2560000000e-04 -2.2661000000e-03 -3.5783000000e-03 -9.1520000000e-04  3.7449000000e-03  3.0570000000e-04  1.7670000000e-03 -1.5559000000e-03  3.1081000000e-03 -2.3950000000e-04  3.3469000000e-03  2.7649000000e-03  2.3180000000e-03 -3.1756000000e-03  5.1990000000e-04 -2.1046000000e-03 -9.4200000000e-05 -3.1203000000e-03
+
+JOB 77
+COORDS -1.5861710000e+00 -1.1235310000e+00  2.3887090000e+00 -1.8604320000e+00 -8.2294900000e-01  3.2551170000e+00 -2.3911720000e+00 -1.1296090000e+00  1.8708590000e+00  1.6224340000e+00  1.1090810000e+00 -2.4632570000e+00  1.1878840000e+00  1.3772430000e+00 -1.6536350000e+00  2.4859990000e+00  8.0582300000e-01 -2.1830410000e+00
+ENERGY -1.526545121346e+02
+FORCES -4.6118000000e-03  9.1000000000e-04  1.4931000000e-03  1.1798000000e-03 -1.1551000000e-03 -3.5786000000e-03  3.3615000000e-03  1.5410000000e-04  2.1600000000e-03  1.6765000000e-03 -4.2220000000e-04  4.7395000000e-03  1.7748000000e-03 -8.2040000000e-04 -3.5303000000e-03 -3.3808000000e-03  1.3335000000e-03 -1.2838000000e-03
+
+JOB 78
+COORDS -1.6847410000e+00  2.7832220000e+00 -4.6100900000e-01 -1.0078710000e+00  2.6561870000e+00  2.0377700000e-01 -1.8176760000e+00  3.7306980000e+00 -4.9015100000e-01  1.6421530000e+00 -2.8958450000e+00  4.5229400000e-01  1.8875760000e+00 -2.7656010000e+00 -4.6369500000e-01  1.5430560000e+00 -2.0105050000e+00  8.0241300000e-01
+ENERGY -1.526539745222e+02
+FORCES  1.9381000000e-03  3.5699000000e-03  2.6326000000e-03 -2.5599000000e-03  2.8980000000e-04 -2.7863000000e-03  6.0300000000e-04 -3.9195000000e-03  1.1950000000e-04  3.7860000000e-04  4.0969000000e-03 -2.5002000000e-03 -8.7220000000e-04 -5.4190000000e-04  3.8170000000e-03  5.1240000000e-04 -3.4952000000e-03 -1.2825000000e-03
+
+JOB 79
+COORDS  2.1012200000e+00 -1.6365990000e+00 -2.0859860000e+00  3.0504400000e+00 -1.7549220000e+00 -2.0511570000e+00  1.8506680000e+00 -1.9599070000e+00 -2.9513920000e+00 -2.1352660000e+00  1.6065560000e+00  2.0863880000e+00 -1.3980540000e+00  2.0406350000e+00  2.5157190000e+00 -2.9064700000e+00  2.0828010000e+00  2.3940680000e+00
+ENERGY -1.526537185355e+02
+FORCES  2.6420000000e-03 -1.8011000000e-03 -3.3692000000e-03 -3.8381000000e-03  5.1510000000e-04 -1.1060000000e-04  1.1105000000e-03  1.3010000000e-03  3.4997000000e-03  1.0580000000e-04  3.6162000000e-03  2.8721000000e-03 -3.1171000000e-03 -1.6787000000e-03 -1.6283000000e-03  3.0968000000e-03 -1.9524000000e-03 -1.2637000000e-03
+
+JOB 80
+COORDS  1.3978150000e+00  2.0714700000e+00 -2.4616140000e+00  7.7372500000e-01  1.3836430000e+00 -2.6932080000e+00  2.0648790000e+00  2.0309290000e+00 -3.1468980000e+00 -1.3520310000e+00 -2.0524790000e+00  2.5447520000e+00 -2.0807500000e+00 -1.5759740000e+00  2.9424250000e+00 -1.5862130000e+00 -2.1201970000e+00  1.6191150000e+00
+ENERGY -1.526539015922e+02
+FORCES  3.5680000000e-04 -2.9865000000e-03 -3.6945000000e-03  2.4061000000e-03  2.7850000000e-03  9.6330000000e-04 -2.7745000000e-03  1.7630000000e-04  2.7740000000e-03 -3.8549000000e-03  1.8571000000e-03 -2.0800000000e-03  2.9296000000e-03 -2.0284000000e-03 -1.6381000000e-03  9.3690000000e-04  1.9650000000e-04  3.6753000000e-03
+
+JOB 81
+COORDS  1.5338460000e+00 -3.2027890000e+00  7.8250700000e-01  9.7585600000e-01 -3.9804900000e+00  7.9020100000e-01  1.2405110000e+00 -2.7044930000e+00  1.9691000000e-02 -1.5396970000e+00  3.2102510000e+00 -7.6031300000e-01 -1.0384700000e+00  2.5569650000e+00 -2.7223600000e-01 -9.6023700000e-01  3.9706160000e+00 -8.0830000000e-01
+ENERGY -1.526541916043e+02
+FORCES -3.4764000000e-03 -1.3954000000e-03 -3.1284000000e-03  2.2961000000e-03  3.2164000000e-03 -2.3500000000e-05  1.2089000000e-03 -1.8260000000e-03  3.2047000000e-03  4.4122000000e-03  6.0470000000e-04  1.9487000000e-03 -2.0678000000e-03  2.5308000000e-03 -2.1512000000e-03 -2.3729000000e-03 -3.1305000000e-03  1.4970000000e-04
+
+JOB 82
+COORDS -4.3587400000e-01 -3.2475360000e+00  1.5134900000e+00  1.5320000000e-03 -4.0915090000e+00  1.6258190000e+00 -3.9868200000e-01 -3.0814450000e+00  5.7154400000e-01  3.8603100000e-01  3.2634490000e+00 -1.5254620000e+00  8.8758300000e-01  2.7275290000e+00 -9.1107800000e-01  2.9027700000e-01  4.1077340000e+00 -1.0847290000e+00
+ENERGY -1.526542629625e+02
+FORCES  1.7785000000e-03 -2.8712000000e-03 -3.4583000000e-03 -1.7468000000e-03  3.4704000000e-03 -4.3810000000e-04 -3.7400000000e-05 -6.3750000000e-04  3.9252000000e-03  1.5750000000e-03  1.2985000000e-03  4.4521000000e-03 -1.9914000000e-03  2.1469000000e-03 -2.6377000000e-03  4.2210000000e-04 -3.4072000000e-03 -1.8432000000e-03
+
+JOB 83
+COORDS  9.0733800000e-01  1.0159060000e+00 -3.5906550000e+00  1.4441770000e+00  3.2871300000e-01 -3.1959370000e+00  1.5304300000e+00  1.7056300000e+00 -3.8192790000e+00 -9.9937600000e-01 -1.0641240000e+00  3.5495080000e+00 -6.5483000000e-02 -1.0102140000e+00  3.7524140000e+00 -1.3782890000e+00 -2.8372100000e-01  3.9540170000e+00
+ENERGY -1.526539724218e+02
+FORCES  4.6470000000e-03 -1.1110000000e-04  7.2260000000e-04 -2.1009000000e-03  2.8744000000e-03 -1.6555000000e-03 -2.5346000000e-03 -2.7816000000e-03  9.5220000000e-04  2.1513000000e-03  3.4856000000e-03  2.4170000000e-03 -3.7507000000e-03 -2.5300000000e-04 -8.4930000000e-04  1.5879000000e-03 -3.2142000000e-03 -1.5869000000e-03
+
+JOB 84
+COORDS  2.7558300000e+00 -2.1997050000e+00  1.5351490000e+00  2.4068480000e+00 -2.2544030000e+00  2.4247850000e+00  2.8264670000e+00 -3.1102910000e+00  1.2486600000e+00 -2.7663640000e+00  2.2189540000e+00 -1.6147330000e+00 -1.8465870000e+00  2.4783830000e+00 -1.5605340000e+00 -3.1723660000e+00  2.6114530000e+00 -8.4185600000e-01
+ENERGY -1.526541866811e+02
+FORCES -1.1755000000e-03 -4.0469000000e-03  2.3926000000e-03  1.4308000000e-03  2.8860000000e-04 -3.6039000000e-03 -2.4990000000e-04  3.7237000000e-03  1.2095000000e-03  2.2805000000e-03  2.5638000000e-03  3.3928000000e-03 -3.8639000000e-03 -9.4710000000e-04 -2.5520000000e-04  1.5780000000e-03 -1.5821000000e-03 -3.1358000000e-03
+
+JOB 85
+COORDS -1.2041610000e+00  1.7225450000e+00 -3.4250560000e+00 -9.7194300000e-01  2.3275000000e+00 -4.1295670000e+00 -1.8090270000e+00  1.1018330000e+00 -3.8313620000e+00  1.2621380000e+00 -1.7546320000e+00  3.5418780000e+00  6.6533600000e-01 -1.0140610000e+00  3.6496450000e+00  1.2526590000e+00 -1.9356890000e+00  2.6020060000e+00
+ENERGY -1.526543429100e+02
+FORCES -1.5322000000e-03  3.8900000000e-05 -4.6520000000e-03 -9.5720000000e-04 -2.4926000000e-03  2.8852000000e-03  2.4869000000e-03  2.4903000000e-03  1.7249000000e-03 -2.4746000000e-03  2.4166000000e-03 -3.5271000000e-03  2.4164000000e-03 -3.0630000000e-03 -3.2190000000e-04  6.0800000000e-05  6.0980000000e-04  3.8909000000e-03
+
+JOB 86
+COORDS  3.1192050000e+00  1.9933500000e+00  2.0011880000e+00  2.1797750000e+00  1.8271210000e+00  2.0791040000e+00  3.4862340000e+00  1.6903020000e+00  2.8316600000e+00 -3.0959880000e+00 -1.9274280000e+00 -2.0047660000e+00 -3.3799270000e+00 -2.8408800000e+00 -1.9699120000e+00 -2.6724110000e+00 -1.8401960000e+00 -2.8587020000e+00
+ENERGY -1.526542298941e+02
+FORCES -2.4655000000e-03 -1.9468000000e-03  3.6581000000e-03  3.9263000000e-03  7.2120000000e-04 -2.6070000000e-04 -1.4435000000e-03  1.2385000000e-03 -3.3668000000e-03  5.7900000000e-04 -3.3622000000e-03 -3.4329000000e-03  1.1580000000e-03  3.7232000000e-03 -1.0480000000e-04 -1.7543000000e-03 -3.7380000000e-04  3.5071000000e-03
+
+JOB 87
+COORDS -3.2331510000e+00  4.4690600000e-01 -3.9451550000e+00 -3.4811100000e+00  3.2739100000e-01 -3.0283870000e+00 -3.4648630000e+00 -3.8084400000e-01 -4.3663090000e+00  3.3092180000e+00 -4.0463200000e-01  3.8751830000e+00  3.3778230000e+00  2.2177200000e-01  4.5956990000e+00  2.4143490000e+00 -7.3949700000e-01  3.9326950000e+00
+ENERGY -1.526540095104e+02
+FORCES -1.9052000000e-03 -3.8769000000e-03  1.9954000000e-03  9.8870000000e-04  4.9270000000e-04 -3.7162000000e-03  9.2260000000e-04  3.3826000000e-03  1.7308000000e-03 -3.3383000000e-03  1.2315000000e-03  3.1616000000e-03 -2.9360000000e-04 -2.5743000000e-03 -2.9330000000e-03  3.6258000000e-03  1.3445000000e-03 -2.3860000000e-04
+
+JOB 88
+COORDS -3.9677370000e+00 -8.3024500000e-01  3.5172620000e+00 -3.1290280000e+00 -6.3326400000e-01  3.9343920000e+00 -4.6234820000e+00 -5.9263700000e-01  4.1728330000e+00  3.8984900000e+00  7.9049300000e-01 -3.5914060000e+00  4.2376290000e+00  7.4661800000e-01 -2.6973750000e+00  4.6246730000e+00  1.1419120000e+00 -4.1065710000e+00
+ENERGY -1.526539911666e+02
+FORCES  7.4800000000e-04  1.7830000000e-03  4.3329000000e-03 -3.4170000000e-03 -8.0740000000e-04 -1.6764000000e-03  2.6783000000e-03 -9.7320000000e-04 -2.6646000000e-03  4.3126000000e-03  1.2359000000e-03  1.5413000000e-03 -1.3646000000e-03  1.9110000000e-04 -3.6396000000e-03 -2.9574000000e-03 -1.4295000000e-03  2.1065000000e-03
+
+JOB 89
+COORDS -2.8454300000e+00  2.5444130000e+00  5.1421530000e+00 -3.1563990000e+00  3.0733300000e+00  5.8768490000e+00 -2.3178380000e+00  3.1475420000e+00  4.6185940000e+00  2.8189570000e+00 -2.5561720000e+00 -5.1575070000e+00  2.8722350000e+00 -3.0953130000e+00 -4.3683800000e+00  3.0536780000e+00 -3.1502890000e+00 -5.8703630000e+00
+ENERGY -1.526540958481e+02
+FORCES  8.8500000000e-04  4.6284000000e-03  8.2800000000e-04  1.2671000000e-03 -2.1628000000e-03 -2.9852000000e-03 -2.1529000000e-03 -2.4614000000e-03  2.1584000000e-03  1.1478000000e-03 -4.6346000000e-03  3.3200000000e-04 -1.9850000000e-04  2.2022000000e-03 -3.2321000000e-03 -9.4840000000e-04  2.4282000000e-03  2.8988000000e-03
+
+JOB 0
+COORDS  3.9774100000e-01  5.8474100000e-01  1.1637770000e+00 -1.2712100000e-01 -4.7280000000e-02  1.6550020000e+00  3.9872000000e-01  2.5031200000e-01  2.6690000000e-01 -3.3225600000e-01 -5.1126800000e-01 -1.0906070000e+00 -4.4959100000e-01 -1.4064440000e+00 -1.4086080000e+00 -8.5358300000e-01  2.5677000000e-02 -1.6873820000e+00
+ENERGY -1.526573766906e+02
+FORCES -7.2459000000e-03 -1.0720500000e-02 -1.4682400000e-02  1.4389000000e-03  1.3658000000e-03  9.0800000000e-05  2.5973000000e-03  4.3557000000e-03  2.8101000000e-03  1.8667000000e-03  4.1539000000e-03  8.3224000000e-03 -1.2300000000e-03  4.9284000000e-03  1.1061000000e-03  2.5731000000e-03 -4.0833000000e-03  2.3530000000e-03
+
+JOB 1
+COORDS  6.5282300000e-01  4.0414400000e-01  1.0837670000e+00  1.5327870000e+00  3.8269800000e-01  7.0768900000e-01  6.5949500000e-01 -2.8367200000e-01  1.7494220000e+00 -7.0327900000e-01 -3.6803600000e-01 -1.1695310000e+00  5.6387000000e-02 -2.0710300000e-01 -6.0985200000e-01 -1.4330050000e+00 -4.7362900000e-01 -5.5913600000e-01
+ENERGY -1.526554951729e+02
+FORCES  1.4060000000e-04 -2.9016000000e-03 -4.8550000000e-04 -7.7234000000e-03 -2.1620000000e-03 -1.5652000000e-03 -6.2600000000e-04  3.4198000000e-03 -4.3239000000e-03  3.7829000000e-03  5.4044000000e-03  1.6258600000e-02  4.1604000000e-03 -2.5089000000e-03 -7.1708000000e-03  2.6550000000e-04 -1.2518000000e-03 -2.7132000000e-03
+
+JOB 2
+COORDS -7.3377100000e-01 -9.2062400000e-01 -5.9914000000e-01 -8.2900400000e-01 -1.2758110000e+00  2.8460500000e-01 -1.5879220000e+00 -1.0612700000e+00 -1.0076450000e+00  7.7530600000e-01  9.3326000000e-01  6.2964500000e-01  2.8601400000e-01  7.0447300000e-01 -1.6059700000e-01  1.5064260000e+00  1.4643010000e+00  3.1390600000e-01
+ENERGY -1.526602753947e+02
+FORCES  1.8790000000e-04 -5.3180000000e-04  6.2133000000e-03 -1.5019000000e-03  8.1880000000e-04 -5.6016000000e-03  3.8920000000e-03  9.8360000000e-04  2.4868000000e-03 -4.3692000000e-03 -5.2912000000e-03 -7.0759000000e-03  5.0437000000e-03  6.3731000000e-03  4.6584000000e-03 -3.2524000000e-03 -2.3524000000e-03 -6.8110000000e-04
+
+JOB 3
+COORDS -3.2879000000e-02  9.8946900000e-01  8.4461100000e-01  6.9767000000e-01  1.2040610000e+00  1.4246810000e+00 -5.2112800000e-01  1.8084770000e+00  7.6052100000e-01  1.4130000000e-03 -1.0562430000e+00 -9.3433500000e-01 -6.4209000000e-02 -1.6507130000e+00 -1.8698500000e-01  3.9081500000e-01 -2.5960000000e-01 -5.7383900000e-01
+ENERGY -1.526574687667e+02
+FORCES -2.4394000000e-03  5.3220000000e-04 -1.9035000000e-03 -3.4685000000e-03 -2.1855000000e-03 -4.1142000000e-03  3.2451000000e-03 -3.7242000000e-03  1.3045000000e-03 -1.3374000000e-03  9.6570000000e-03  1.2440000000e-02  6.9810000000e-04  1.2950000000e-04 -2.5878000000e-03  3.3022000000e-03 -4.4091000000e-03 -5.1390000000e-03
+
+JOB 4
+COORDS -5.7434300000e-01  8.5423900000e-01 -9.3216000000e-01 -4.2533400000e-01  2.6738000000e-02 -4.7469900000e-01 -1.4111770000e+00  7.3313500000e-01 -1.3807970000e+00  5.7158900000e-01 -7.4372500000e-01  9.5102200000e-01  1.4245020000e+00 -9.7058900000e-01  1.3215670000e+00  4.3964700000e-01 -1.3780470000e+00  2.4642300000e-01
+ENERGY -1.526507042953e+02
+FORCES  2.0287000000e-03 -3.2344000000e-03  7.2533000000e-03 -1.1992000000e-03 -6.4344000000e-03 -5.6882000000e-03  3.7926000000e-03 -1.2985000000e-03  2.8709000000e-03  4.0430000000e-03  1.1947000000e-03 -3.2036000000e-03 -4.3091000000e-03  2.5700000000e-04 -1.3298000000e-03 -4.3559000000e-03  9.5156000000e-03  9.7400000000e-05
+
+JOB 5
+COORDS -9.2019000000e-01  7.2689300000e-01  8.2577900000e-01 -1.7906600000e-01  5.9998000000e-01  2.3344400000e-01 -1.5363510000e+00  3.2904000000e-02  5.9135100000e-01  8.8286600000e-01 -6.2536400000e-01 -7.6721900000e-01  9.0717700000e-01 -1.1868690000e+00 -1.5420430000e+00  1.4528820000e+00 -1.0635490000e+00 -1.3531100000e-01
+ENERGY -1.526592121110e+02
+FORCES  5.7603000000e-03 -8.5591000000e-03 -1.0036300000e-02 -1.3272000000e-03  4.1700000000e-03  5.7332000000e-03 -1.3200000000e-05  2.0320000000e-03  1.7417000000e-03 -1.6912000000e-03 -9.6990000000e-04  1.7610000000e-03  2.4870000000e-04  1.2198000000e-03  4.5720000000e-03 -2.9774000000e-03  2.1072000000e-03 -3.7717000000e-03
+
+JOB 6
+COORDS -1.1761810000e+00 -7.8443100000e-01 -1.6676500000e-01 -9.4280600000e-01  8.8048000000e-02  1.5032600000e-01 -7.5625300000e-01 -8.4829100000e-01 -1.0245610000e+00  1.1139230000e+00  6.9876300000e-01  2.4399600000e-01  1.4039880000e+00  1.6107220000e+00  2.6460800000e-01  1.2705790000e+00  4.1741700000e-01 -6.5741200000e-01
+ENERGY -1.526538048437e+02
+FORCES  1.0378900000e-02  7.7775000000e-03  1.3400000000e-03 -6.0269000000e-03 -2.5433000000e-03 -2.4070000000e-03  2.9610000000e-04  2.2620000000e-04  1.8980000000e-03  1.8049000000e-03 -2.0563000000e-03 -3.9353000000e-03 -3.2039000000e-03 -4.7975000000e-03 -2.2750000000e-04 -3.2492000000e-03  1.3934000000e-03  3.3318000000e-03
+
+JOB 7
+COORDS -3.6241000000e-02 -6.9627200000e-01  1.1503240000e+00  4.2280700000e-01 -1.4791980000e+00  8.4613000000e-01 -8.9605500000e-01 -1.0140740000e+00  1.4259210000e+00  2.7052000000e-02  7.7461500000e-01 -1.2146390000e+00 -2.0639700000e-01  1.1799300000e-01 -5.5845300000e-01  7.5035200000e-01  1.2617350000e+00 -8.1994600000e-01
+ENERGY -1.526592638580e+02
+FORCES -3.6340000000e-04 -2.0671000000e-03  4.0210000000e-04 -3.5223000000e-03  5.5132000000e-03 -3.4090000000e-04  4.6653000000e-03  1.6202000000e-03 -3.2165000000e-03  1.4053000000e-03 -4.5511000000e-03  1.4712700000e-02 -1.0138000000e-03  2.3080000000e-04 -9.0121000000e-03 -1.1711000000e-03 -7.4600000000e-04 -2.5453000000e-03
+
+JOB 8
+COORDS  7.7063300000e-01 -7.8467500000e-01 -8.5442800000e-01  1.3808580000e+00 -1.4924600000e+00 -6.4731000000e-01  2.8530000000e-03 -9.6316200000e-01 -3.1139200000e-01 -7.0034900000e-01  8.0230000000e-01  7.9912000000e-01 -1.3329290000e+00  1.1270570000e+00  1.5833300000e-01 -1.0982290000e+00  9.9507900000e-01  1.6480950000e+00
+ENERGY -1.526547775352e+02
+FORCES -3.7281000000e-03  2.3121000000e-03  8.3779000000e-03 -2.4367000000e-03  2.8554000000e-03  3.2990000000e-04  1.9433000000e-03 -3.6886000000e-03 -6.0426000000e-03 -8.7730000000e-04  3.2404000000e-03 -2.0980000000e-03  2.4948000000e-03 -3.2500000000e-03  3.5906000000e-03  2.6040000000e-03 -1.4693000000e-03 -4.1578000000e-03
+
+JOB 9
+COORDS -1.3065190000e+00 -3.9958600000e-01 -4.6187900000e-01 -3.8467900000e-01 -1.6412100000e-01 -3.5700500000e-01 -1.3872010000e+00 -1.2508820000e+00 -3.1742000000e-02  1.2121220000e+00  4.3334100000e-01  3.9390500000e-01  1.8909350000e+00 -2.3882000000e-01  4.5426700000e-01  1.4463600000e+00  1.0721180000e+00  1.0672010000e+00
+ENERGY -1.526597307023e+02
+FORCES  1.0894700000e-02  2.2030000000e-03  5.5884000000e-03 -6.6089000000e-03 -4.5281000000e-03 -4.4696000000e-03  7.9930000000e-04  2.2089000000e-03 -1.2346000000e-03 -1.9655000000e-03  1.0773000000e-03  2.7237000000e-03 -4.1809000000e-03  2.9228000000e-03  2.2250000000e-04  1.0613000000e-03 -3.8840000000e-03 -2.8305000000e-03
+
+JOB 10
+COORDS -1.4028810000e+00  2.8042000000e-02  4.7483000000e-02 -1.1947460000e+00 -1.7915500000e-01  9.5851500000e-01 -1.6643740000e+00  9.4867500000e-01  6.4456000000e-02  1.4225370000e+00 -1.3218000000e-01 -9.5244000000e-02  6.2989100000e-01  1.4674900000e-01 -5.5365500000e-01  1.8527910000e+00  6.8428900000e-01  1.5870700000e-01
+ENERGY -1.526580660805e+02
+FORCES  1.9058000000e-03 -8.3900000000e-05  6.9778000000e-03 -2.7403000000e-03  2.1727000000e-03 -4.2569000000e-03  3.7885000000e-03 -3.9100000000e-03 -7.5700000000e-04 -8.5825000000e-03  3.0543000000e-03 -2.1537000000e-03  8.6976000000e-03  1.3420000000e-03  5.0560000000e-04 -3.0690000000e-03 -2.5750000000e-03 -3.1580000000e-04
+
+JOB 11
+COORDS -5.6404700000e-01 -2.0937100000e-01 -1.2606430000e+00  2.7710500000e-01 -1.0004000000e-01 -1.7041990000e+00 -1.0111040000e+00  6.2795700000e-01 -1.3841480000e+00  5.9863200000e-01  1.2636700000e-01  1.2881960000e+00 -1.3625300000e-01  1.6025300000e-01  6.7580200000e-01  3.2531100000e-01  6.7717400000e-01  2.0217760000e+00
+ENERGY -1.526587422062e+02
+FORCES  5.6337000000e-03  2.2234000000e-03 -3.3039000000e-03 -5.1977000000e-03 -5.7400000000e-05  1.1704000000e-03  2.7901000000e-03 -3.8802000000e-03  4.1330000000e-03 -5.6169000000e-03 -1.7021000000e-03 -6.4033000000e-03  2.9094000000e-03  4.8693000000e-03  8.7391000000e-03 -5.1850000000e-04 -1.4530000000e-03 -4.3352000000e-03
+
+JOB 12
+COORDS -3.4466700000e-01  3.5591600000e-01 -1.2593860000e+00  4.1272300000e-01  3.7846000000e-01 -1.8442640000e+00 -1.0928820000e+00  5.3595200000e-01 -1.8285910000e+00  3.2751400000e-01 -3.5607000000e-01  1.3816860000e+00  1.2194240000e+00 -6.3223400000e-01  1.1708270000e+00 -1.1920000000e-01 -3.2115800000e-01  5.3583800000e-01
+ENERGY -1.526593828930e+02
+FORCES  1.2431000000e-03  9.2890000000e-04 -9.3030000000e-04 -3.9636000000e-03 -3.4580000000e-04  2.2822000000e-03  4.2916000000e-03 -5.7940000000e-04  1.9716000000e-03 -9.7040000000e-04  2.1071000000e-03 -1.1514400000e-02 -2.1777000000e-03  1.0061000000e-03  3.6680000000e-04  1.5771000000e-03 -3.1169000000e-03  7.8242000000e-03
+
+JOB 13
+COORDS  5.8776800000e-01 -1.0128140000e+00 -8.5864500000e-01  3.3363200000e-01 -6.7444600000e-01 -6.8000000000e-05 -1.3702800000e-01 -1.5825180000e+00 -1.1162130000e+00 -6.0247300000e-01  1.0325950000e+00  8.0703500000e-01 -2.4741400000e-01  6.2296700000e-01  1.5959390000e+00  1.6880800000e-01  1.3122490000e+00  3.1393100000e-01
+ENERGY -1.526548872418e+02
+FORCES -9.6072000000e-03  3.0167000000e-03  4.3077000000e-03  6.6975000000e-03 -6.4420000000e-04 -3.3290000000e-04  3.1297000000e-03  1.3129000000e-03  8.2580000000e-04  4.4091000000e-03  2.7664000000e-03 -1.3376000000e-03 -9.9740000000e-04 -1.9297000000e-03 -7.3290000000e-03 -3.6317000000e-03 -4.5221000000e-03  3.8660000000e-03
+
+JOB 14
+COORDS -1.2450370000e+00  5.0101900000e-01  6.2165100000e-01 -3.4519500000e-01  6.3331000000e-01  3.2329500000e-01 -1.2084140000e+00 -2.9770600000e-01  1.1478910000e+00  1.1136640000e+00 -4.6922700000e-01 -5.9771700000e-01  1.5236690000e+00  3.7031500000e-01 -8.0579800000e-01  1.7013180000e+00 -1.1235030000e+00 -9.7562900000e-01
+ENERGY -1.526550461159e+02
+FORCES  9.1543000000e-03 -8.6578000000e-03 -2.8112000000e-03 -5.3560000000e-04  6.3258000000e-03  3.9190000000e-04 -2.2846000000e-03  2.6908000000e-03 -1.4380000000e-04  9.3810000000e-04 -3.5480000000e-04 -2.2105000000e-03 -4.7731000000e-03 -3.3004000000e-03  3.2465000000e-03 -2.4991000000e-03  3.2964000000e-03  1.5271000000e-03
+
+JOB 15
+COORDS -1.0495110000e+00 -7.8086800000e-01 -5.6638600000e-01 -1.1854160000e+00 -1.1554710000e+00  3.0392100000e-01 -1.7002230000e+00 -8.1853000000e-02 -6.3107300000e-01  1.1121290000e+00  7.9937700000e-01  5.8245000000e-01  5.4613300000e-01  2.9875000000e-02  5.2123600000e-01  1.3590560000e+00  9.8829600000e-01 -3.2285000000e-01
+ENERGY -1.526569203793e+02
+FORCES -4.4783000000e-03  3.6501000000e-03  2.2274000000e-03  4.9228000000e-03  4.2893000000e-03 -3.4941000000e-03  3.1012000000e-03 -3.9420000000e-03  1.4080000000e-04 -6.0847000000e-03 -6.1120000000e-03 -9.4233000000e-03  2.1084000000e-03  8.3880000000e-04  7.2947000000e-03  4.3050000000e-04  1.2758000000e-03  3.2546000000e-03
+
+JOB 16
+COORDS -9.9570900000e-01 -3.0524200000e-01  9.0722700000e-01 -1.8366930000e+00  4.9708000000e-02  1.1953040000e+00 -9.7683000000e-01 -1.1945800000e+00  1.2607170000e+00  1.0832350000e+00  2.8385600000e-01 -9.5433300000e-01  5.3382900000e-01  4.9539300000e-01 -1.9959000000e-01  9.3656500000e-01  1.0042130000e+00 -1.5673630000e+00
+ENERGY -1.526592596025e+02
+FORCES -1.0859000000e-03 -3.8530000000e-03  1.1770000000e-04  3.6766000000e-03 -1.9007000000e-03 -1.5063000000e-03 -1.5446000000e-03  4.3583000000e-03 -5.9820000000e-04 -7.6854000000e-03  6.9160000000e-04  4.6326000000e-03  6.8927000000e-03  2.8355000000e-03 -5.0706000000e-03 -2.5340000000e-04 -2.1317000000e-03  2.4249000000e-03
+
+JOB 17
+COORDS -1.4285400000e-01 -7.0389000000e-01 -1.3346970000e+00 -1.0818460000e+00 -8.0701600000e-01 -1.1801350000e+00  1.4979600000e-01 -1.0779600000e-01 -6.4530600000e-01  1.9452300000e-01  6.2517900000e-01  1.2319610000e+00  3.1252000000e-02  4.6755800000e-01  2.1618700000e+00  1.4894100000e-01  1.5766850000e+00  1.1382090000e+00
+ENERGY -1.526594391280e+02
+FORCES -1.7846000000e-03  3.2941000000e-03  1.0343400000e-02  2.2661000000e-03 -1.5470000000e-04 -1.5225000000e-03  1.6100000000e-05  4.1800000000e-05 -8.2901000000e-03 -7.7380000000e-04 -2.4270000000e-04  3.8155000000e-03  4.0050000000e-04  2.4182000000e-03 -3.7998000000e-03 -1.2440000000e-04 -5.3568000000e-03 -5.4650000000e-04
+
+JOB 18
+COORDS  1.7421800000e-01 -3.7565700000e-01 -1.3415870000e+00  4.0307800000e-01 -1.2285730000e+00 -1.7108960000e+00  2.3926400000e-01  2.3061600000e-01 -2.0794450000e+00 -2.1491200000e-01  4.5419000000e-01  1.4133020000e+00  2.9290900000e-01  6.8659000000e-02  6.9935900000e-01 -3.2533800000e-01 -2.5928100000e-01  2.0417900000e+00
+ENERGY -1.526589985844e+02
+FORCES -7.4070000000e-04  9.8930000000e-04 -4.2077000000e-03 -1.0118000000e-03  4.0382000000e-03  2.0927000000e-03 -6.2300000000e-05 -3.8107000000e-03  2.6073000000e-03  1.1694000000e-03 -4.9016000000e-03 -6.9062000000e-03  7.9500000000e-05  1.8685000000e-03  9.0382000000e-03  5.6600000000e-04  1.8162000000e-03 -2.6242000000e-03
+
+JOB 19
+COORDS -4.3243400000e-01 -1.3841860000e+00  4.4945500000e-01  1.5415800000e-01 -8.2756200000e-01 -6.2708000000e-02 -1.2485300000e+00 -1.3969610000e+00 -5.0600000000e-02  4.7259200000e-01  1.3095440000e+00 -3.4245300000e-01 -2.9977200000e-01  1.1987490000e+00 -8.9689900000e-01  8.2864000000e-01  2.1615940000e+00 -5.9438800000e-01
+ENERGY -1.526555531834e+02
+FORCES  2.0501000000e-03  5.4596000000e-03 -2.6567000000e-03 -5.4750000000e-03 -5.2240000000e-03 -4.3460000000e-04  3.1379000000e-03  1.4375000000e-03  1.2446000000e-03 -1.5155000000e-03  4.3689000000e-03 -1.5536000000e-03  4.4972000000e-03 -2.4759000000e-03  2.1424000000e-03 -2.6946000000e-03 -3.5662000000e-03  1.2580000000e-03
+
+JOB 20
+COORDS -7.8967000000e-02  1.1185980000e+00 -1.0514530000e+00 -1.0542900000e-01  2.1050300000e-01 -7.4996400000e-01 -8.8755900000e-01  1.5062880000e+00 -7.1662800000e-01  7.0851000000e-02 -1.0984820000e+00  1.0013420000e+00  8.7950500000e-01 -1.5737460000e+00  8.1046700000e-01  3.4616300000e-01 -3.7046400000e-01  1.5584990000e+00
+ENERGY -1.526601151646e+02
+FORCES -4.1333000000e-03 -6.5633000000e-03  5.0364000000e-03  1.6596000000e-03  6.6761000000e-03 -5.4905000000e-03  3.1499000000e-03 -6.0640000000e-04 -6.5180000000e-04  5.2706000000e-03  1.2270000000e-03  4.2350000000e-03 -4.0916000000e-03  3.0387000000e-03 -1.1630000000e-04 -1.8551000000e-03 -3.7720000000e-03 -3.0128000000e-03
+
+JOB 21
+COORDS  4.0401100000e-01  1.3008000000e-02 -1.5295550000e+00  6.3352600000e-01 -8.2358400000e-01 -1.1249940000e+00  1.1412800000e-01  5.6081700000e-01 -8.0010000000e-01 -4.3391600000e-01 -2.9720000000e-02  1.4137770000e+00 -5.4356400000e-01  9.0147100000e-01  1.6063710000e+00  2.5762000000e-01 -3.1817800000e-01  2.0094290000e+00
+ENERGY -1.526571362491e+02
+FORCES -2.7796000000e-03 -3.0196000000e-03  1.0236100000e-02  1.2519000000e-03  1.4453000000e-03 -3.4457000000e-03  1.4720000000e-03  3.1457000000e-03 -5.0890000000e-03  1.7749000000e-03  1.5940000000e-03  4.9176000000e-03  1.4492000000e-03 -4.3339000000e-03 -3.2482000000e-03 -3.1684000000e-03  1.1685000000e-03 -3.3709000000e-03
+
+JOB 22
+COORDS -9.7632100000e-01 -1.0273090000e+00  5.9020300000e-01 -6.6272100000e-01 -4.5113500000e-01 -1.0687000000e-01 -1.5263460000e+00 -1.6694760000e+00  1.4151000000e-01  9.3999400000e-01  1.0162560000e+00 -4.8640900000e-01  1.2619710000e+00  4.3627400000e-01 -1.1764700000e+00  1.4413840000e+00  1.8239070000e+00 -5.9838700000e-01
+ENERGY -1.526567967039e+02
+FORCES  7.2580000000e-04  3.6496000000e-03 -3.4326000000e-03 -2.9945000000e-03 -7.4486000000e-03  3.9780000000e-04  2.8534000000e-03  2.8101000000e-03  1.0233000000e-03  4.8501000000e-03  2.9065000000e-03 -1.2298000000e-03 -4.1928000000e-03  2.0979000000e-03  3.1941000000e-03 -1.2420000000e-03 -4.0155000000e-03  4.7100000000e-05
+
+JOB 23
+COORDS  6.9221000000e-02  1.5009570000e+00  1.0792000000e-02  7.3016000000e-01  2.0898980000e+00  3.7485200000e-01  3.9722000000e-01  1.2819550000e+00 -8.6138200000e-01 -1.8922300000e-01 -1.5354780000e+00  3.0550000000e-03  5.2113600000e-01 -2.1372170000e+00  2.2561600000e-01  1.8013900000e-01 -6.6429400000e-01  1.4742000000e-01
+ENERGY -1.526586021632e+02
+FORCES  2.1306000000e-03  5.6729000000e-03 -2.8043000000e-03 -2.9016000000e-03 -3.3019000000e-03 -2.0574000000e-03 -5.8130000000e-04 -1.4907000000e-03  6.6609000000e-03  2.4926000000e-03  4.7755000000e-03  3.3501000000e-03 -2.1666000000e-03  3.0600000000e-03 -8.2760000000e-04  1.0263000000e-03 -8.7159000000e-03 -4.3217000000e-03
+
+JOB 24
+COORDS -2.5084800000e-01  1.5290470000e+00  2.2110500000e-01  5.5195700000e-01  2.0036750000e+00  4.3666200000e-01  5.1269000000e-02  6.7733400000e-01 -9.4400000000e-02  1.2966900000e-01 -1.5239240000e+00 -2.0283500000e-01  8.8687200000e-01 -1.4139610000e+00  3.7230200000e-01  4.6886500000e-01 -1.3531280000e+00 -1.0814740000e+00
+ENERGY -1.526560182126e+02
+FORCES  2.0866000000e-03 -5.3802000000e-03 -4.2450000000e-04 -2.5687000000e-03 -3.1987000000e-03 -8.6630000000e-04  2.7715000000e-03  8.2335000000e-03 -2.4540000000e-04  3.9857000000e-03 -4.3804000000e-03 -5.1970000000e-04 -4.2324000000e-03  2.2546000000e-03 -3.8518000000e-03 -2.0427000000e-03  2.4712000000e-03  5.9078000000e-03
+
+JOB 25
+COORDS -1.5988940000e+00  6.9918000000e-02 -1.1752600000e-01 -1.2573020000e+00 -8.1683200000e-01 -2.5420000000e-03 -8.2652800000e-01  6.0153600000e-01 -3.1004900000e-01  1.5270310000e+00 -1.0536000000e-02  8.0163000000e-02  1.4411600000e+00 -9.6323500000e-01  4.5204000000e-02  1.8789730000e+00  1.6685400000e-01  9.5246000000e-01
+ENERGY -1.526573870372e+02
+FORCES  9.1598000000e-03 -6.0810000000e-04 -2.4600000000e-05 -1.6766000000e-03  1.1476000000e-03 -1.9940000000e-04 -6.9893000000e-03 -4.2550000000e-04 -2.2240000000e-04  2.6363000000e-03 -3.3585000000e-03  4.3611000000e-03 -1.4896000000e-03  4.3644000000e-03  2.3570000000e-04 -1.6406000000e-03 -1.1198000000e-03 -4.1503000000e-03
+
+JOB 26
+COORDS  1.0611480000e+00 -2.4467400000e-01  1.1476890000e+00  3.3113400000e-01 -7.0736900000e-01  7.3632000000e-01  1.8350710000e+00 -5.4632800000e-01  6.7199900000e-01 -1.1000030000e+00  2.3782800000e-01 -1.0707050000e+00 -5.7962300000e-01  2.8988000000e-01 -1.8724080000e+00 -1.0186800000e+00  1.1056230000e+00 -6.7504100000e-01
+ENERGY -1.526584815594e+02
+FORCES -2.5939000000e-03 -3.4983000000e-03 -5.8323000000e-03  5.3805000000e-03  7.0800000000e-04  4.9240000000e-03 -2.6737000000e-03  1.4320000000e-03  1.4393000000e-03  3.1372000000e-03  6.0704000000e-03 -1.4195000000e-03 -1.8767000000e-03 -6.7860000000e-04  3.4840000000e-03 -1.3734000000e-03 -4.0335000000e-03 -2.5955000000e-03
+
+JOB 27
+COORDS -1.3175920000e+00  7.4480600000e-01  3.6008800000e-01 -3.8295500000e-01  9.4556700000e-01  4.0888600000e-01 -1.6720310000e+00  1.0474420000e+00  1.1961600000e+00  1.3098370000e+00 -7.2756700000e-01 -4.4992000000e-01  3.8507200000e-01 -9.7462300000e-01 -4.4774700000e-01  1.7266310000e+00 -1.3526530000e+00  1.4319300000e-01
+ENERGY -1.526597129584e+02
+FORCES  3.1497000000e-03  3.6305000000e-03  3.3789000000e-03 -7.0499000000e-03 -1.7147000000e-03  3.6490000000e-04  1.9722000000e-03 -1.1194000000e-03 -3.1647000000e-03 -2.8470000000e-03 -5.6054000000e-03  1.1859000000e-03  6.6721000000e-03  2.1062000000e-03  4.2730000000e-04 -1.8972000000e-03  2.7027000000e-03 -2.1924000000e-03
+
+JOB 28
+COORDS  9.4533500000e-01 -5.3683400000e-01 -1.0795800000e+00  7.9173100000e-01  3.3574600000e-01 -1.4418530000e+00  6.5384700000e-01 -1.1365290000e+00 -1.7663350000e+00 -9.0908300000e-01  5.4809600000e-01  1.0927920000e+00 -3.3740600000e-01 -1.0763100000e-01  1.4920910000e+00 -1.6468390000e+00  6.2373800000e-01  1.6979580000e+00
+ENERGY -1.526558569528e+02
+FORCES -4.4054000000e-03  3.0895000000e-03 -3.4026000000e-03  2.3276000000e-03 -4.0152000000e-03 -2.2100000000e-04  1.2545000000e-03  2.1453000000e-03  2.6251000000e-03  1.7507000000e-03 -4.1090000000e-03  2.8663000000e-03 -3.8648000000e-03  3.6709000000e-03  1.1641000000e-03  2.9375000000e-03 -7.8150000000e-04 -3.0318000000e-03
+
+JOB 29
+COORDS  1.7041400000e-01 -7.0810400000e-01 -1.3196120000e+00 -4.8410500000e-01 -4.4033600000e-01 -1.9646990000e+00  1.0087620000e+00 -5.9707000000e-01 -1.7680270000e+00 -2.2252600000e-01  6.5470500000e-01  1.4262840000e+00  2.4023200000e-01  1.4774880000e+00  1.5847610000e+00  5.6803000000e-02  3.8704600000e-01  5.5074600000e-01
+ENERGY -1.526604310220e+02
+FORCES -3.5050000000e-04 -1.0578000000e-03 -6.7470000000e-03  3.8920000000e-03 -1.0093000000e-03  2.8362000000e-03 -4.2209000000e-03  4.2350000000e-04  2.5687000000e-03  2.6315000000e-03 -1.2299000000e-03 -6.2157000000e-03 -1.2735000000e-03 -2.9404000000e-03 -1.3143000000e-03 -6.7860000000e-04  5.8139000000e-03  8.8721000000e-03
+
+JOB 30
+COORDS -1.1502760000e+00 -9.7315500000e-01 -2.3058300000e-01 -1.9630950000e+00 -4.7046200000e-01 -2.8402400000e-01 -1.2983230000e+00 -1.5936370000e+00  4.8308000000e-01  1.2365620000e+00  1.0360660000e+00  1.9445000000e-01  1.4250780000e+00  2.5439200000e-01 -3.2485700000e-01  4.7816900000e-01  7.9396000000e-01  7.2591700000e-01
+ENERGY -1.526578109331e+02
+FORCES -5.5043000000e-03 -1.2172000000e-03  4.4060000000e-04  3.9785000000e-03 -2.3018000000e-03  1.2211000000e-03  1.4608000000e-03  3.8422000000e-03 -2.7654000000e-03 -6.0581000000e-03 -7.5840000000e-03 -1.8987000000e-03  2.5825000000e-03  3.5116000000e-03  1.7139000000e-03  3.5406000000e-03  3.7491000000e-03  1.2884000000e-03
+
+JOB 31
+COORDS  7.3742600000e-01 -6.5821700000e-01 -1.1360230000e+00  1.5451690000e+00 -1.7461900000e-01 -9.6305800000e-01  9.9264200000e-01 -1.3354540000e+00 -1.7624780000e+00 -8.1683500000e-01  6.2397500000e-01  1.2134240000e+00 -8.2257600000e-01  5.2885800000e-01  2.6097900000e-01 -5.8019400000e-01  1.5395250000e+00  1.3617510000e+00
+ENERGY -1.526574598603e+02
+FORCES  5.1076000000e-03 -2.2810000000e-03 -8.1570000000e-04 -3.7476000000e-03 -1.4752000000e-03 -1.7982000000e-03 -4.0710000000e-04  2.9732000000e-03  2.9019000000e-03  1.2599000000e-03  4.3340000000e-04 -5.6365000000e-03 -2.2388000000e-03  3.9365000000e-03  6.1853000000e-03  2.6000000000e-05 -3.5868000000e-03 -8.3680000000e-04
+
+JOB 32
+COORDS -6.3279000000e-02 -2.5422200000e-01  1.5762580000e+00 -2.2603300000e-01 -2.6350300000e-01  6.3304200000e-01 -9.3044600000e-01 -1.5196500000e-01  1.9684290000e+00  6.6914000000e-02  2.8142900000e-01 -1.5343410000e+00  2.9074000000e-01 -2.9899900000e-01 -2.2618280000e+00  8.4993800000e-01  2.8918100000e-01 -9.8384600000e-01
+ENERGY -1.526586329177e+02
+FORCES -6.2045000000e-03  7.2550000000e-04 -3.9249000000e-03  5.5963000000e-03  3.9950000000e-04  6.3046000000e-03  3.1364000000e-03 -6.8860000000e-04 -1.1029000000e-03  5.5132000000e-03 -1.0329000000e-03 -4.3311000000e-03 -7.0650000000e-04  2.9980000000e-03  3.3306000000e-03 -7.3350000000e-03 -2.4016000000e-03 -2.7630000000e-04
+
+JOB 33
+COORDS  3.2868400000e-01  1.4946230000e+00 -2.8466100000e-01  7.4241300000e-01  1.6739970000e+00  5.5966500000e-01 -4.8015900000e-01  2.0062500000e+00 -2.6908200000e-01 -2.4493200000e-01 -1.5324280000e+00  2.5213800000e-01 -9.8282600000e-01 -1.5195370000e+00  8.6171100000e-01 -6.4676700000e-01 -1.4514120000e+00 -6.1284600000e-01
+ENERGY -1.526523080802e+02
+FORCES -4.9460000000e-04 -1.5300000000e-05  5.2804000000e-03 -1.7753000000e-03  8.0200000000e-04 -3.4802000000e-03  2.6682000000e-03 -2.9700000000e-03 -3.0610000000e-04 -3.7025000000e-03  4.4246000000e-03 -2.9776000000e-03  2.8768000000e-03  1.7140000000e-04 -1.9161000000e-03  4.2750000000e-04 -2.4127000000e-03  3.3997000000e-03
+
+JOB 34
+COORDS  6.5759100000e-01  1.3270420000e+00  7.8932100000e-01 -2.4080800000e-01  1.1701130000e+00  4.9865900000e-01  1.0417970000e+00  4.5349800000e-01  8.6373800000e-01 -5.6790800000e-01 -1.3112240000e+00 -7.6026800000e-01 -1.4708480000e+00 -1.5199300000e+00 -5.2074200000e-01 -6.3094100000e-01 -4.8219000000e-01 -1.2345690000e+00
+ENERGY -1.526561168761e+02
+FORCES -2.1784000000e-03 -7.3461000000e-03 -1.4010000000e-04  2.2284000000e-03  2.1861000000e-03 -9.6710000000e-04  7.2900000000e-05  5.4050000000e-03  5.0630000000e-04 -4.2035000000e-03  6.8760000000e-04 -3.1718000000e-03  4.2782000000e-03  1.9264000000e-03 -6.8710000000e-04 -1.9750000000e-04 -2.8589000000e-03  4.4598000000e-03
+
+JOB 35
+COORDS  1.3115570000e+00 -6.5621700000e-01  5.6139400000e-01  2.0942520000e+00 -5.1339200000e-01  1.0935790000e+00  8.2749400000e-01 -1.3395410000e+00  1.0250560000e+00 -1.3268640000e+00  7.5062100000e-01 -6.3329300000e-01 -5.6003200000e-01  2.2343800000e-01 -4.0906300000e-01 -2.0637000000e+00  1.4340800000e-01 -5.6550200000e-01
+ENERGY -1.526585819278e+02
+FORCES  4.3899000000e-03 -9.7430000000e-04  5.3718000000e-03 -3.2801000000e-03 -1.9707000000e-03 -1.8079000000e-03  8.7400000000e-04  3.8278000000e-03 -3.1038000000e-03  3.6131000000e-03 -4.0937000000e-03  1.5249000000e-03 -8.6449000000e-03  1.5177000000e-03 -2.3054000000e-03  3.0481000000e-03  1.6933000000e-03  3.2030000000e-04
+
+JOB 36
+COORDS -1.3837300000e-01  3.9571100000e-01 -1.6207160000e+00 -3.4233400000e-01  1.2240960000e+00 -1.1866540000e+00  5.4935600000e-01  5.1920000000e-03 -1.0814990000e+00  1.4765700000e-01 -4.3144800000e-01  1.6213460000e+00 -2.3259000000e-02 -1.0613670000e+00  9.2118800000e-01 -3.0933900000e-01  3.6326800000e-01  1.3460040000e+00
+ENERGY -1.526545730341e+02
+FORCES  3.8599000000e-03  3.2353000000e-03  2.9217000000e-03 -2.2500000000e-05 -4.2183000000e-03 -5.9240000000e-04 -5.1491000000e-03 -1.1300000000e-05 -1.8123000000e-03 -5.5045000000e-03 -3.5780000000e-04 -3.1760000000e-03  3.3947000000e-03  3.3876000000e-03  2.2330000000e-03  3.4215000000e-03 -2.0355000000e-03  4.2600000000e-04
+
+JOB 37
+COORDS -5.7233500000e-01  1.4744160000e+00 -5.1924000000e-02 -1.2288660000e+00  1.7177730000e+00 -7.0459300000e-01 -3.5820700000e-01  2.2956000000e+00  3.9083600000e-01  6.4440600000e-01 -1.5327910000e+00  6.4417000000e-02  5.4893000000e-02 -2.2832890000e+00  1.3830000000e-01  6.4311000000e-02 -7.8530800000e-01 -8.0466000000e-02
+ENERGY -1.526593330373e+02
+FORCES -4.3050000000e-04  6.6335000000e-03  4.1640000000e-04  2.8089000000e-03 -1.5613000000e-03  3.0501000000e-03 -1.9419000000e-03 -2.6794000000e-03 -2.6114000000e-03 -4.6822000000e-03  3.4014000000e-03  2.3770000000e-04  1.8034000000e-03  2.8948000000e-03 -4.5020000000e-04  2.4424000000e-03 -8.6890000000e-03 -6.4260000000e-04
+
+JOB 38
+COORDS -4.6250000000e-01  1.5123470000e+00  6.5006600000e-01 -1.1640570000e+00  2.0733160000e+00  3.1936400000e-01 -1.3423400000e-01  1.0564900000e+00 -1.2496100000e-01  5.2629200000e-01 -1.4708740000e+00 -6.0225500000e-01  8.1308400000e-01 -2.3673670000e+00 -4.2823400000e-01 -4.2833800000e-01 -1.5085540000e+00 -5.4315300000e-01
+ENERGY -1.526566026861e+02
+FORCES  9.2690000000e-04  2.1920000000e-04 -4.5033000000e-03  2.5676000000e-03 -2.8889000000e-03  1.2041000000e-03 -4.4523000000e-03  3.6694000000e-03  3.2609000000e-03 -1.7283000000e-03 -5.5890000000e-03  2.4772000000e-03 -1.6765000000e-03  3.2944000000e-03 -9.8560000000e-04  4.3626000000e-03  1.2949000000e-03 -1.4533000000e-03
+
+JOB 39
+COORDS -4.5389000000e-02  9.9514900000e-01  1.4050820000e+00  2.3641100000e-01  6.9830900000e-01  5.3980400000e-01 -2.9492000000e-01  1.9101090000e+00  1.2754140000e+00  2.5392000000e-02 -9.8094100000e-01 -1.4092770000e+00 -5.6873200000e-01 -1.4116190000e+00 -7.9465300000e-01  8.9681800000e-01 -1.2812820000e+00 -1.1511220000e+00
+ENERGY -1.526584323500e+02
+FORCES -1.7230000000e-04  2.6514000000e-03 -5.7480000000e-03 -4.5400000000e-05  1.5695000000e-03  7.0963000000e-03  9.9960000000e-04 -3.4125000000e-03  6.6820000000e-04 -1.1310000000e-04 -6.6163000000e-03  1.2315000000e-03  3.5039000000e-03  2.7835000000e-03 -2.9531000000e-03 -4.1728000000e-03  3.0244000000e-03 -2.9490000000e-04
+
+JOB 40
+COORDS -9.6610300000e-01 -2.7017500000e-01 -1.4045210000e+00 -1.6791730000e+00 -8.9696400000e-01 -1.2824600000e+00 -1.0515090000e+00  3.3667700000e-01 -6.6921900000e-01  9.4834600000e-01  2.8335400000e-01  1.3316130000e+00  1.2397530000e+00 -4.7693900000e-01  1.8348700000e+00  1.7389510000e+00  8.0963800000e-01  1.2124430000e+00
+ENERGY -1.526561299576e+02
+FORCES -1.2910000000e-03  4.4340000000e-04  5.8690000000e-03  2.6772000000e-03  2.0685000000e-03 -5.0960000000e-04 -2.3880000000e-03 -1.6894000000e-03 -5.4027000000e-03  5.4002000000e-03 -2.1687000000e-03  6.6140000000e-04 -1.0626000000e-03  3.3634000000e-03 -1.5172000000e-03 -3.3359000000e-03 -2.0172000000e-03  8.9920000000e-04
+
+JOB 41
+COORDS -1.0182690000e+00 -7.4167700000e-01 -1.2217910000e+00 -4.4945900000e-01 -2.1290000000e-03 -1.0078870000e+00 -6.3073400000e-01 -1.1224160000e+00 -2.0098810000e+00  9.5885600000e-01  7.6852700000e-01  1.2073410000e+00  7.9567400000e-01  9.2236500000e-01  2.1378990000e+00  1.2050690000e+00 -1.5505900000e-01  1.1563440000e+00
+ENERGY -1.526576865680e+02
+FORCES  3.2141000000e-03  3.3844000000e-03 -1.7833000000e-03 -2.7180000000e-03 -5.4529000000e-03 -3.2724000000e-03 -1.1024000000e-03  1.3297000000e-03  3.4909000000e-03 -4.7700000000e-05 -3.1140000000e-03  5.7430000000e-03  1.3273000000e-03 -8.0270000000e-04 -3.5987000000e-03 -6.7330000000e-04  4.6554000000e-03 -5.7950000000e-04
+
+JOB 42
+COORDS -9.3630500000e-01  9.7745700000e-01  1.0642120000e+00 -1.1756880000e+00  8.3558700000e-01  1.9800730000e+00 -1.6337080000e+00  5.5216200000e-01  5.6522900000e-01  9.8331900000e-01 -1.0025870000e+00 -1.1304720000e+00  5.1808000000e-01 -8.7164400000e-01 -3.0425200000e-01  1.5407800000e+00 -2.2931100000e-01 -1.2171530000e+00
+ENERGY -1.526579068537e+02
+FORCES -5.8961000000e-03  2.4080000000e-04  2.6702000000e-03  1.1227000000e-03  2.7900000000e-04 -4.3170000000e-03  4.3249000000e-03  9.2220000000e-04  2.6408000000e-03  3.8060000000e-04  5.5636000000e-03  4.5045000000e-03  1.4474000000e-03 -3.5398000000e-03 -4.8722000000e-03 -1.3796000000e-03 -3.4657000000e-03 -6.2630000000e-04
+
+JOB 43
+COORDS -3.3735000000e-02 -1.4194160000e+00 -9.5206700000e-01  8.6532900000e-01 -1.7478360000e+00 -9.4460000000e-01 -2.6339600000e-01 -1.3697630000e+00 -1.8799800000e+00 -2.0470000000e-03  1.4028730000e+00  9.4918200000e-01  5.0449900000e-01  2.1576560000e+00  1.2490880000e+00 -5.9344800000e-01  1.2067040000e+00  1.6758140000e+00
+ENERGY -1.526524982460e+02
+FORCES  3.4066000000e-03  7.8770000000e-04 -3.2893000000e-03 -3.6551000000e-03  5.9860000000e-04 -1.8230000000e-04  7.4560000000e-04 -5.1430000000e-04  3.6706000000e-03 -1.3073000000e-03  1.1094000000e-03  4.2871000000e-03 -1.7658000000e-03 -3.4653000000e-03 -1.7870000000e-03  2.5760000000e-03  1.4838000000e-03 -2.6991000000e-03
+
+JOB 44
+COORDS -2.8599700000e-01  1.8049040000e+00  1.5792000000e-02  4.6036600000e-01  1.6410410000e+00 -5.6068300000e-01 -3.4951200000e-01  1.0172250000e+00  5.5594000000e-01  2.0912100000e-01 -1.7110720000e+00  3.5950000000e-02  1.0653570000e+00 -1.5263510000e+00 -3.5001700000e-01 -7.3568000000e-02 -2.5231180000e+00 -3.8464500000e-01
+ENERGY -1.526564936906e+02
+FORCES  1.7890000000e-03 -6.1351000000e-03 -7.7100000000e-05 -2.0107000000e-03  1.0278000000e-03  1.8853000000e-03  7.4810000000e-04  6.0824000000e-03 -1.4165000000e-03  1.5690000000e-03 -4.7539000000e-03 -3.8547000000e-03 -3.8982000000e-03  5.0760000000e-04  1.7341000000e-03  1.8028000000e-03  3.2712000000e-03  1.7288000000e-03
+
+JOB 45
+COORDS  5.7389200000e-01 -1.6416190000e+00 -2.4419200000e-01  1.2504960000e+00 -1.1470930000e+00  2.1828300000e-01  6.7989300000e-01 -2.5410230000e+00  6.5755000000e-02 -6.6887800000e-01  1.7149530000e+00  2.0835000000e-01 -1.1606000000e-02  1.3618960000e+00  8.0799600000e-01 -5.0483500000e-01  1.2641550000e+00 -6.1996300000e-01
+ENERGY -1.526547014900e+02
+FORCES  3.0604000000e-03 -3.8025000000e-03  3.2743000000e-03 -3.6919000000e-03 -4.6650000000e-04 -1.9354000000e-03 -1.5990000000e-04  3.9417000000e-03 -1.2559000000e-03  2.2847000000e-03 -5.3316000000e-03 -1.5123000000e-03 -1.3265000000e-03  1.8165000000e-03 -1.9282000000e-03 -1.6680000000e-04  3.8425000000e-03  3.3576000000e-03
+
+JOB 46
+COORDS -1.1306270000e+00  1.4969910000e+00  3.8286000000e-02 -5.9816800000e-01  7.0173000000e-01  2.1610000000e-02 -7.3306800000e-01  2.0658520000e+00 -6.2093700000e-01  1.0704570000e+00 -1.4310360000e+00 -3.7318000000e-02  8.9600200000e-01 -1.4751080000e+00  9.0281800000e-01  1.3508010000e+00 -2.3158950000e+00 -2.7112100000e-01
+ENERGY -1.526577853782e+02
+FORCES  4.6809000000e-03 -2.0982000000e-03 -3.8485000000e-03 -3.8059000000e-03  5.1062000000e-03  2.2938000000e-03 -1.8737000000e-03 -1.5639000000e-03  2.5203000000e-03  1.8275000000e-03 -6.1417000000e-03  2.2009000000e-03 -4.1400000000e-05  1.0995000000e-03 -4.7470000000e-03 -7.8730000000e-04  3.5982000000e-03  1.5806000000e-03
+
+JOB 47
+COORDS  1.6435250000e+00  6.0148700000e-01  3.6894100000e-01  1.8423910000e+00  2.4672500000e-01  1.2354440000e+00  2.4659380000e+00  9.9375100000e-01  7.5688000000e-02 -1.7449510000e+00 -5.8532700000e-01 -3.5787700000e-01 -1.6896660000e+00 -1.6031300000e-01 -1.2137620000e+00 -1.0950280000e+00 -1.2870260000e+00 -3.9594800000e-01
+ENERGY -1.526545373915e+02
+FORCES  3.9306000000e-03  8.6190000000e-04  3.4395000000e-03 -4.0510000000e-04  1.0921000000e-03 -3.9448000000e-03 -3.6947000000e-03 -1.6886000000e-03  9.7730000000e-04  5.3068000000e-03  3.5320000000e-04 -3.4581000000e-03 -1.3822000000e-03 -2.0421000000e-03  2.7336000000e-03 -3.7553000000e-03  1.4235000000e-03  2.5240000000e-04
+
+JOB 48
+COORDS  1.6377430000e+00 -8.0226300000e-01  1.4228400000e-01  1.8124980000e+00  7.8658000000e-02  4.7345000000e-01  2.4585000000e+00 -1.0705790000e+00 -2.7074800000e-01 -1.6547020000e+00  7.0879000000e-01 -1.1741100000e-01 -2.5593620000e+00  9.2370500000e-01  1.0981700000e-01 -1.3675710000e+00  1.4345030000e+00 -6.7160200000e-01
+ENERGY -1.526527928801e+02
+FORCES  3.2111000000e-03  2.7753000000e-03  2.7480000000e-04  1.8190000000e-04 -3.4880000000e-03 -1.7157000000e-03 -3.6541000000e-03  1.0756000000e-03  1.5439000000e-03 -2.6825000000e-03  3.2907000000e-03 -1.9021000000e-03  3.9089000000e-03 -1.0533000000e-03 -9.2490000000e-04 -9.6530000000e-04 -2.6003000000e-03  2.7240000000e-03
+
+JOB 49
+COORDS  1.5151810000e+00  1.2189420000e+00 -4.1452000000e-02  1.4462480000e+00  1.6540350000e+00  8.0835600000e-01  9.8476200000e-01  4.2746000000e-01  5.0438000000e-02 -1.4729670000e+00 -1.1803110000e+00 -7.4047000000e-02 -2.2783600000e+00 -1.3188620000e+00  4.2432800000e-01 -7.7077500000e-01 -1.3936280000e+00  5.4048900000e-01
+ENERGY -1.526537344811e+02
+FORCES -3.8500000000e-03 -9.8430000000e-04  2.7466000000e-03  4.7480000000e-04 -2.0216000000e-03 -3.2503000000e-03  3.8821000000e-03  2.0636000000e-03  1.3969000000e-03 -2.6505000000e-03 -2.6703000000e-03  4.5220000000e-03  3.6022000000e-03  3.9940000000e-04 -2.2055000000e-03 -1.4587000000e-03  3.2131000000e-03 -3.2099000000e-03
+
+JOB 50
+COORDS  1.4876520000e+00 -1.1454640000e+00  1.5545300000e-01  7.8288100000e-01 -1.3627750000e+00  7.6562200000e-01  2.1341650000e+00 -1.8405870000e+00  2.7815700000e-01 -1.4679400000e+00  1.2597810000e+00 -1.6787400000e-01 -1.5172990000e+00  1.0354650000e+00 -1.0971090000e+00 -1.6403140000e+00  4.3564000000e-01  2.8743900000e-01
+ENERGY -1.526532319971e+02
+FORCES  5.2540000000e-04 -3.3503000000e-03  3.6310000000e-03  1.9084000000e-03  6.0780000000e-04 -2.9656000000e-03 -2.7849000000e-03  3.0604000000e-03 -6.3680000000e-04  3.9370000000e-04 -4.3776000000e-03 -2.8584000000e-03 -7.6420000000e-04  1.2349000000e-03  3.8387000000e-03  7.2170000000e-04  2.8248000000e-03 -1.0089000000e-03
+
+JOB 51
+COORDS -1.8345040000e+00  1.8112500000e-01  2.7828800000e-01 -2.3794620000e+00 -1.5126400000e-01 -4.3499300000e-01 -2.3297120000e+00 -1.9923000000e-02  1.0723790000e+00  1.9229220000e+00 -1.9147100000e-01 -2.3719200000e-01  2.2537660000e+00  3.9164000000e-01 -9.2038700000e-01  9.7213600000e-01 -1.7394000000e-01 -3.4642100000e-01
+ENERGY -1.526574359721e+02
+FORCES -5.9062000000e-03 -1.9408000000e-03  1.9205000000e-03  2.8522000000e-03  1.3888000000e-03  2.8759000000e-03  1.4843000000e-03  8.8020000000e-04 -3.7701000000e-03 -4.1510000000e-03  2.8572000000e-03 -2.2305000000e-03 -1.0950000000e-03 -2.3038000000e-03  2.3724000000e-03  6.8155000000e-03 -8.8170000000e-04 -1.1683000000e-03
+
+JOB 52
+COORDS  6.9646200000e-01 -8.9735100000e-01  1.5899580000e+00  1.5561880000e+00 -5.1715100000e-01  1.7703720000e+00  4.8235800000e-01 -5.9809500000e-01  7.0630800000e-01 -7.3161200000e-01  7.9601000000e-01 -1.5492490000e+00 -4.1448000000e-02  1.4280240000e+00 -1.3480920000e+00 -1.4996750000e+00  1.3331490000e+00 -1.7436520000e+00
+ENERGY -1.526561213821e+02
+FORCES  1.3914000000e-03  2.1655000000e-03 -3.8396000000e-03 -3.4081000000e-03 -1.0771000000e-03 -8.8820000000e-04  3.2071000000e-03 -1.1567000000e-03  5.5735000000e-03 -2.4183000000e-03  5.8334000000e-03 -1.4154000000e-03 -2.3955000000e-03 -3.8208000000e-03  1.9820000000e-04  3.6233000000e-03 -1.9444000000e-03  3.7150000000e-04
+
+JOB 53
+COORDS  1.6371280000e+00  2.2765100000e-01  1.1150630000e+00  1.5152590000e+00  4.1935200000e-01  2.0449180000e+00  1.0528940000e+00 -5.1095900000e-01  9.4372100000e-01 -1.5900780000e+00 -2.1536400000e-01 -1.2202240000e+00 -1.5362820000e+00  6.5933300000e-01 -8.3520100000e-01 -1.7973620000e+00 -7.8971600000e-01 -4.8307700000e-01
+ENERGY -1.526541878287e+02
+FORCES -1.8876000000e-03 -2.8960000000e-03  2.5601000000e-03  1.1800000000e-05 -6.8400000000e-04 -4.0947000000e-03  1.9551000000e-03  3.3425000000e-03  1.8511000000e-03 -1.0429000000e-03  2.3606000000e-03  3.8003000000e-03 -9.2210000000e-04 -4.2123000000e-03 -1.5168000000e-03  1.8856000000e-03  2.0892000000e-03 -2.5999000000e-03
+
+JOB 54
+COORDS -1.6101000000e+00 -4.2580200000e-01 -1.3890410000e+00 -8.5424500000e-01 -8.4717500000e-01 -1.7981370000e+00 -1.3987310000e+00 -4.0769100000e-01 -4.5564500000e-01  1.5657900000e+00  4.8888000000e-01  1.4053890000e+00  1.6599500000e+00  6.5813900000e-01  4.6799000000e-01  1.3253020000e+00 -4.3604800000e-01  1.4592820000e+00
+ENERGY -1.526536315774e+02
+FORCES  2.9577000000e-03 -1.4946000000e-03  2.1791000000e-03 -2.6431000000e-03  2.0071000000e-03  2.1568000000e-03 -3.0620000000e-04 -7.1340000000e-04 -4.4546000000e-03  8.7960000000e-04 -2.4791000000e-03 -3.0970000000e-03 -9.4100000000e-04 -1.3996000000e-03  4.0780000000e-03  5.3000000000e-05  4.0797000000e-03 -8.6230000000e-04
+
+JOB 55
+COORDS -5.4896600000e-01 -8.1566900000e-01 -1.8397790000e+00  9.8055000000e-02 -1.0190550000e+00 -2.5152270000e+00 -1.2615710000e+00 -1.4354440000e+00 -1.9956780000e+00  5.2612100000e-01  9.2911800000e-01  1.8890440000e+00  1.9549900000e-01  1.5388700000e-01  1.4352410000e+00  1.2672040000e+00  6.0848200000e-01  2.4030670000e+00
+ENERGY -1.526553705888e+02
+FORCES -3.8180000000e-04 -2.9048000000e-03 -4.6502000000e-03 -2.8022000000e-03  5.5760000000e-04  2.8717000000e-03  3.1406000000e-03  2.4878000000e-03  9.4380000000e-04  1.2108000000e-03 -4.6530000000e-03 -1.0999000000e-03  1.6443000000e-03  3.2238000000e-03  3.8658000000e-03 -2.8116000000e-03  1.2885000000e-03 -1.9311000000e-03
+
+JOB 56
+COORDS  1.7249830000e+00  1.3573070000e+00  1.4928500000e-01  8.3214600000e-01  1.6305000000e+00 -6.1525000000e-02  1.9781880000e+00  7.8504300000e-01 -5.7503000000e-01 -1.6835540000e+00 -1.2723950000e+00 -9.6799000000e-02 -9.9077900000e-01 -1.9242600000e+00  9.8190000000e-03 -2.4832070000e+00 -1.7874100000e+00 -2.0425500000e-01
+ENERGY -1.526552961699e+02
+FORCES -3.6857000000e-03 -1.2160000000e-03 -3.8111000000e-03  4.5273000000e-03 -3.5980000000e-04  7.7450000000e-04 -5.1880000000e-04  2.0112000000e-03  2.9766000000e-03 -7.9350000000e-04 -5.1970000000e-03  6.5270000000e-04 -2.9020000000e-03  2.7004000000e-03 -1.0065000000e-03  3.3726000000e-03  2.0612000000e-03  4.1390000000e-04
+
+JOB 57
+COORDS -5.9910100000e-01 -1.1603590000e+00  1.6577560000e+00 -3.0929000000e-01 -1.5087300000e+00  2.5008930000e+00 -1.2557680000e+00 -1.7862800000e+00  1.3523980000e+00  6.5922700000e-01  1.2136700000e+00 -1.6399410000e+00 -2.1379800000e-01  8.2202000000e-01 -1.6658410000e+00  7.6692600000e-01  1.6170930000e+00 -2.5012670000e+00
+ENERGY -1.526535885125e+02
+FORCES -7.1250000000e-04 -4.0060000000e-03  2.7433000000e-03 -1.4320000000e-03  1.2995000000e-03 -3.4160000000e-03  2.5514000000e-03  2.8757000000e-03  8.1780000000e-04 -3.5167000000e-03 -3.8190000000e-04 -2.6972000000e-03  3.4363000000e-03  1.8763000000e-03 -1.0019000000e-03 -3.2660000000e-04 -1.6637000000e-03  3.5540000000e-03
+
+JOB 58
+COORDS -1.8915940000e+00 -3.6389800000e-01 -1.0734620000e+00 -2.5692120000e+00 -4.9276800000e-01 -4.0979200000e-01 -1.3581850000e+00  3.5537700000e-01 -7.3530500000e-01  1.8617950000e+00  3.5695600000e-01  9.6914100000e-01  1.5614820000e+00  1.2593200000e-01  1.8481580000e+00  2.7930660000e+00  1.3567700000e-01  9.6781700000e-01
+ENERGY -1.526549895707e+02
+FORCES  6.3260000000e-04  2.6284000000e-03  4.0627000000e-03  2.5961000000e-03  4.0860000000e-04 -2.4990000000e-03 -3.7521000000e-03 -2.8239000000e-03 -1.5751000000e-03  3.4413000000e-03 -2.4608000000e-03  3.3406000000e-03  8.6470000000e-04  1.2409000000e-03 -3.6480000000e-03 -3.7826000000e-03  1.0068000000e-03  3.1880000000e-04
+
+JOB 59
+COORDS -5.6440800000e-01  2.6457800000e-01 -2.0520850000e+00 -1.7245300000e-01  3.4926000000e-01 -2.9212410000e+00 -1.1355870000e+00  1.0283860000e+00 -1.9709490000e+00  6.4093300000e-01 -3.4710900000e-01  2.1122580000e+00  4.1799200000e-01  5.6875600000e-01  1.9457630000e+00 -1.9763800000e-01 -8.0763800000e-01  2.0815430000e+00
+ENERGY -1.526539904205e+02
+FORCES -1.7230000000e-04  3.1807000000e-03 -3.8569000000e-03 -1.8282000000e-03 -2.4460000000e-04  3.5457000000e-03  2.3347000000e-03 -3.1505000000e-03  2.4970000000e-04 -4.4401000000e-03  1.6029000000e-03 -2.4243000000e-03  8.5810000000e-04 -3.2539000000e-03  1.4717000000e-03  3.2477000000e-03  1.8653000000e-03  1.0141000000e-03
+
+JOB 60
+COORDS -1.4835450000e+00 -1.2932220000e+00 -1.0731530000e+00 -2.3096450000e+00 -1.1500440000e+00 -6.1131900000e-01 -8.1025600000e-01 -1.1730340000e+00 -4.0347500000e-01  1.5158780000e+00  1.2661340000e+00  9.4518500000e-01  1.0245880000e+00  2.0321330000e+00  1.2420220000e+00  1.5502650000e+00  6.9184400000e-01  1.7101950000e+00
+ENERGY -1.526544963506e+02
+FORCES  2.5230000000e-04  1.7563000000e-03  4.3917000000e-03  3.2248000000e-03 -5.8800000000e-04 -1.7381000000e-03 -3.7186000000e-03 -1.6603000000e-03 -2.3658000000e-03 -8.2470000000e-04  2.1355000000e-03  4.4675000000e-03  1.9539000000e-03 -3.5238000000e-03 -1.0880000000e-03 -8.8760000000e-04  1.8802000000e-03 -3.6673000000e-03
+
+JOB 61
+COORDS -1.1879610000e+00 -1.7344800000e-01  1.9409270000e+00 -2.6479300000e-01 -2.1693000000e-02  2.1433170000e+00 -1.2514270000e+00 -3.9847000000e-02  9.9522400000e-01  1.1835380000e+00  2.1889000000e-01 -1.9169240000e+00  2.5092400000e-01  1.0476500000e-01 -2.0997880000e+00  1.4643140000e+00 -6.2599100000e-01 -1.5653950000e+00
+ENERGY -1.526542879134e+02
+FORCES  3.8325000000e-03  2.1020000000e-03 -2.7987000000e-03 -3.9452000000e-03 -1.1512000000e-03 -6.3600000000e-04 -1.4750000000e-04 -1.3026000000e-03  3.4663000000e-03 -1.8940000000e-03 -4.2538000000e-03 -9.8370000000e-04  3.6941000000e-03  6.4690000000e-04  1.8670000000e-03 -1.5399000000e-03  3.9587000000e-03 -9.1490000000e-04
+
+JOB 62
+COORDS  1.0404090000e+00  1.7407580000e+00  1.1290900000e+00  4.6355400000e-01  1.0454290000e+00  1.4452990000e+00  6.6253700000e-01  2.0028450000e+00  2.8959300000e-01 -9.7000700000e-01 -1.7178210000e+00 -1.1599690000e+00 -4.3517400000e-01 -1.7878340000e+00 -3.6922000000e-01 -1.8675940000e+00 -1.6406000000e+00 -8.3654200000e-01
+ENERGY -1.526540403693e+02
+FORCES -3.9041000000e-03 -1.3092000000e-03 -2.7086000000e-03  2.3633000000e-03  2.1816000000e-03 -1.1169000000e-03  1.6180000000e-03 -8.7980000000e-04  3.9509000000e-03 -1.5134000000e-03 -1.2910000000e-03  4.0432000000e-03 -2.5867000000e-03  1.1489000000e-03 -3.0185000000e-03  4.0229000000e-03  1.4950000000e-04 -1.1501000000e-03
+
+JOB 63
+COORDS -7.7215800000e-01 -2.0555600000e+00 -7.9257700000e-01 -1.3693190000e+00 -1.4378510000e+00 -3.7059900000e-01  8.5717000000e-02 -1.8530420000e+00 -4.1939000000e-01  7.9452500000e-01  1.9975470000e+00  7.9109400000e-01  2.4227100000e-01  2.7557820000e+00  6.0049900000e-01  5.9110500000e-01  1.3717010000e+00  9.5991000000e-02
+ENERGY -1.526539983754e+02
+FORCES  7.7720000000e-04  1.9747000000e-03  3.9984000000e-03  2.9013000000e-03 -1.9721000000e-03 -2.3423000000e-03 -3.7452000000e-03  6.0200000000e-05 -2.1577000000e-03 -2.7265000000e-03  1.6484000000e-03 -3.9566000000e-03  2.2346000000e-03 -3.3537000000e-03  8.8730000000e-04  5.5860000000e-04  1.6425000000e-03  3.5709000000e-03
+
+JOB 64
+COORDS  2.8385400000e-01 -3.6489100000e-01 -2.2389030000e+00 -5.0840600000e-01  1.7031300000e-01 -2.1929400000e+00 -3.7499000000e-02 -1.2640180000e+00 -2.3062390000e+00 -2.2968100000e-01  3.5020300000e-01  2.2959710000e+00  5.4996800000e-01  8.9473800000e-01  2.1870630000e+00 -6.9524800000e-01  4.2839300000e-01  1.4632860000e+00
+ENERGY -1.526544436073e+02
+FORCES -4.2912000000e-03 -2.2131000000e-03 -1.1874000000e-03  3.3777000000e-03 -2.0234000000e-03  7.9300000000e-04  1.2058000000e-03  4.0153000000e-03  3.1080000000e-04  2.0975000000e-03  2.3269000000e-03 -4.3875000000e-03 -3.3789000000e-03 -1.9491000000e-03  9.1930000000e-04  9.8900000000e-04 -1.5650000000e-04  3.5518000000e-03
+
+JOB 65
+COORDS -1.4673560000e+00  8.2926900000e-01  1.4894360000e+00 -2.4068760000e+00  9.8139700000e-01  1.5913670000e+00 -1.0553050000e+00  1.4952150000e+00  2.0398550000e+00  1.5604800000e+00 -8.9050900000e-01 -1.5073620000e+00  1.2575950000e+00 -9.5447200000e-01 -2.4131230000e+00  7.8458900000e-01 -6.2636200000e-01 -1.0129430000e+00
+ENERGY -1.526558897146e+02
+FORCES -2.4120000000e-03  3.5818000000e-03  3.4354000000e-03  3.9015000000e-03 -5.4280000000e-04 -4.4830000000e-04 -1.9194000000e-03 -2.7340000000e-03 -2.3528000000e-03 -4.9614000000e-03  1.0122000000e-03 -9.1070000000e-04  1.2880000000e-03  2.0160000000e-04  3.3790000000e-03  4.1033000000e-03 -1.5187000000e-03 -3.1026000000e-03
+
+JOB 66
+COORDS -1.4659960000e+00  8.6115200000e-01 -1.6789250000e+00 -1.4371430000e+00  1.5500900000e+00 -1.0150240000e+00 -8.5377700000e-01  1.9695100000e-01 -1.3622900000e+00  1.4808670000e+00 -8.5565000000e-01  1.6841770000e+00  1.3798960000e+00 -1.5122860000e+00  9.9507200000e-01  7.8003800000e-01 -2.2489800000e-01  1.5191880000e+00
+ENERGY -1.526528211399e+02
+FORCES  2.3866000000e-03  6.2440000000e-04  3.2580000000e-03  9.8600000000e-05 -3.3989000000e-03 -2.4673000000e-03 -2.4266000000e-03  2.5808000000e-03 -4.7450000000e-04 -2.8739000000e-03 -6.3980000000e-04 -2.6722000000e-03  6.6200000000e-05  3.3371000000e-03  2.5776000000e-03  2.7491000000e-03 -2.5036000000e-03 -2.2160000000e-04
+
+JOB 67
+COORDS -7.7952800000e-01 -1.4393270000e+00 -1.7691360000e+00 -1.0254390000e+00 -5.3334300000e-01 -1.9560910000e+00 -6.3579700000e-01 -1.4586250000e+00 -8.2298600000e-01  8.1815000000e-01  1.4425510000e+00  1.6981790000e+00  4.6775000000e-01  6.7306200000e-01  1.2494700000e+00  6.0526000000e-01  1.3002050000e+00  2.6204840000e+00
+ENERGY -1.526530160268e+02
+FORCES -6.8920000000e-04  3.4789000000e-03  2.2643000000e-03  1.1408000000e-03 -4.0545000000e-03  1.2453000000e-03 -2.3950000000e-04  7.5380000000e-04 -3.2517000000e-03 -1.7894000000e-03 -3.4881000000e-03  2.5958000000e-03  7.4720000000e-04  2.7824000000e-03  1.2169000000e-03  8.3010000000e-04  5.2750000000e-04 -4.0707000000e-03
+
+JOB 68
+COORDS -1.6877200000e+00  4.8862900000e-01  1.5732830000e+00 -1.3911330000e+00  1.1273230000e+00  2.2216180000e+00 -1.3525290000e+00 -3.4962400000e-01  1.8914180000e+00  1.6849600000e+00 -4.5844900000e-01 -1.5652550000e+00  1.7598730000e+00 -1.3200700000e+00 -1.9754130000e+00  1.1168430000e+00  3.8845000000e-02 -2.1536200000e+00
+ENERGY -1.526544656183e+02
+FORCES  3.4564000000e-03 -9.5660000000e-04  3.6939000000e-03 -1.4759000000e-03 -2.4773000000e-03 -2.4861000000e-03 -1.9294000000e-03  3.2950000000e-03 -9.4110000000e-04 -2.6081000000e-03 -1.0673000000e-03 -4.0740000000e-03 -2.4210000000e-04  3.3758000000e-03  1.8018000000e-03  2.7990000000e-03 -2.1697000000e-03  2.0056000000e-03
+
+JOB 69
+COORDS -1.0983320000e+00  1.7197770000e+00  1.1903450000e+00 -1.8168430000e+00  1.4785560000e+00  6.0572000000e-01 -1.3442090000e+00  2.5800490000e+00  1.5305030000e+00  1.1289680000e+00 -1.8073450000e+00 -1.1975420000e+00  6.4021800000e-01 -9.8462500000e-01 -1.2196380000e+00  1.9776620000e+00 -1.5723060000e+00 -8.2243400000e-01
+ENERGY -1.526549032087e+02
+FORCES -4.4371000000e-03  2.8437000000e-03 -2.3480000000e-04  3.4449000000e-03  9.1530000000e-04  1.9931000000e-03  9.7300000000e-04 -3.5740000000e-03 -1.4603000000e-03  1.4873000000e-03  4.7857000000e-03  2.2321000000e-03  1.6628000000e-03 -3.7229000000e-03 -7.0590000000e-04 -3.1309000000e-03 -1.2476000000e-03 -1.8242000000e-03
+
+JOB 70
+COORDS  1.8132400000e+00  5.9153600000e-01 -1.4661590000e+00  1.9183670000e+00  7.4623300000e-01 -2.4049080000e+00  1.7387600000e+00  1.4666620000e+00 -1.0855830000e+00 -1.7578450000e+00 -6.2900600000e-01  1.5076200000e+00 -2.1432580000e+00 -1.0474060000e+00  7.3779500000e-01 -2.4549650000e+00 -6.4436200000e-01  2.1633790000e+00
+ENERGY -1.526538919012e+02
+FORCES -3.4300000000e-05  4.3790000000e-03 -1.6127000000e-03 -5.2980000000e-04 -7.6600000000e-04  3.7647000000e-03  6.2530000000e-04 -3.4262000000e-03 -2.0023000000e-03 -4.0296000000e-03 -2.1163000000e-03 -9.0710000000e-04  1.0828000000e-03  1.7503000000e-03  3.4029000000e-03  2.8857000000e-03  1.7920000000e-04 -2.6456000000e-03
+
+JOB 71
+COORDS  2.3607710000e+00  6.2042500000e-01  1.5270600000e-01  1.5095530000e+00  9.9950800000e-01 -6.6282000000e-02  2.8929460000e+00  1.3675100000e+00  4.2635800000e-01 -2.3614160000e+00 -7.4872400000e-01 -1.1944400000e-01 -2.2494560000e+00 -6.1595800000e-01 -1.0607570000e+00 -2.1712010000e+00  1.0575900000e-01  2.6773700000e-01
+ENERGY -1.526532815099e+02
+FORCES -1.0905000000e-03  4.3880000000e-03  3.8980000000e-04  3.1537000000e-03 -1.2791000000e-03  7.6010000000e-04 -2.3088000000e-03 -3.1077000000e-03 -1.1609000000e-03  9.2000000000e-04  3.4804000000e-03 -2.2017000000e-03 -3.3030000000e-04 -2.2680000000e-04  4.0368000000e-03 -3.4420000000e-04 -3.2549000000e-03 -1.8241000000e-03
+
+JOB 72
+COORDS -4.2044500000e-01  1.3697130000e+00  1.9897670000e+00 -7.7259100000e-01  2.0694520000e+00  2.5398500000e+00 -1.8971100000e-01  1.8033780000e+00  1.1682270000e+00  4.7619600000e-01 -1.3745940000e+00 -1.9782710000e+00  4.8949700000e-01 -2.2872440000e+00 -1.6899570000e+00 -4.2643100000e-01 -1.2248880000e+00 -2.2594910000e+00
+ENERGY -1.526544296402e+02
+FORCES  3.1900000000e-05  4.4784000000e-03 -1.4771000000e-03  1.3489000000e-03 -2.8878000000e-03 -2.2271000000e-03 -1.3993000000e-03 -1.3486000000e-03  3.7101000000e-03 -3.6838000000e-03 -3.4812000000e-03  6.0030000000e-04 -2.5000000000e-05  3.6054000000e-03 -1.5495000000e-03  3.7273000000e-03 -3.6620000000e-04  9.4320000000e-04
+
+JOB 73
+COORDS -2.2365240000e+00 -6.4893300000e-01 -9.8279200000e-01 -2.6973200000e+00 -9.0454300000e-01 -1.8369100000e-01 -2.1806070000e+00  3.0532300000e-01 -9.3277500000e-01  2.2589320000e+00  5.7350400000e-01  8.8366900000e-01  1.6612660000e+00  4.3788900000e-01  1.6189480000e+00  2.8086090000e+00  1.3091360000e+00  1.1537290000e+00
+ENERGY -1.526536232121e+02
+FORCES -1.2256000000e-03  2.9470000000e-03  3.1430000000e-03  1.9446000000e-03  1.0661000000e-03 -3.0988000000e-03 -6.3420000000e-04 -3.9180000000e-03 -2.6100000000e-05 -5.4100000000e-05  2.0557000000e-03  4.0623000000e-03  2.3441000000e-03  8.2840000000e-04 -2.9146000000e-03 -2.3748000000e-03 -2.9792000000e-03 -1.1658000000e-03
+
+JOB 74
+COORDS  1.1747100000e-01  7.1020000000e-01  2.4535820000e+00 -6.8572600000e-01  3.3405500000e-01  2.8136110000e+00  6.4704800000e-01 -4.7529000000e-02  2.2053350000e+00 -3.7718000000e-02 -6.4139100000e-01 -2.4514300000e+00 -6.0179500000e-01 -1.3491220000e+00 -2.1397160000e+00 -6.2981200000e-01 -4.8988000000e-02 -2.9148060000e+00
+ENERGY -1.526539804599e+02
+FORCES -7.2000000000e-04 -4.5968000000e-03 -5.9000000000e-06  3.1205000000e-03  1.5025000000e-03 -1.5088000000e-03 -2.3523000000e-03  2.9511000000e-03  1.5250000000e-03 -4.8342000000e-03  8.6900000000e-05 -6.8190000000e-04  2.4097000000e-03  2.7078000000e-03 -1.0418000000e-03  2.3763000000e-03 -2.6515000000e-03  1.7134000000e-03
+
+JOB 75
+COORDS -9.2418700000e-01  1.6275370000e+00  1.7935490000e+00 -1.3371200000e+00  8.6159500000e-01  2.1923590000e+00 -1.3300820000e+00  1.6963340000e+00  9.2940400000e-01  9.9395800000e-01 -1.5512640000e+00 -1.7267300000e+00  8.4029500000e-01 -2.4958780000e+00 -1.7447320000e+00  6.4564300000e-01 -1.2355280000e+00 -2.5605290000e+00
+ENERGY -1.526538841754e+02
+FORCES -2.6958000000e-03 -3.4531000000e-03 -2.3761000000e-03  1.3582000000e-03  3.2641000000e-03 -1.3277000000e-03  1.2026000000e-03  1.2830000000e-04  3.5981000000e-03 -1.5346000000e-03 -2.6695000000e-03 -3.6036000000e-03  4.8050000000e-04  3.9480000000e-03  1.4130000000e-04  1.1892000000e-03 -1.2178000000e-03  3.5680000000e-03
+
+JOB 76
+COORDS  8.0809100000e-01 -1.2729780000e+00  2.2283650000e+00 -1.0275400000e-01 -1.5558830000e+00  2.3093470000e+00  1.0141370000e+00 -8.8141000000e-01  3.0771590000e+00 -7.9721900000e-01  1.2054930000e+00 -2.2775240000e+00 -9.8392400000e-01  2.0577990000e+00 -1.8838890000e+00 -3.5511000000e-02  1.3607700000e+00 -2.8360230000e+00
+ENERGY -1.526538973320e+02
+FORCES -3.2025000000e-03  3.9780000000e-04  3.3798000000e-03  3.8239000000e-03  1.0701000000e-03  4.9700000000e-05 -7.6020000000e-04 -1.5038000000e-03 -3.4555000000e-03  2.8547000000e-03  3.8879000000e-03 -3.4740000000e-04  5.4240000000e-04 -3.3717000000e-03 -1.6724000000e-03 -3.2582000000e-03 -4.8040000000e-04  2.0457000000e-03
+
+JOB 77
+COORDS  9.2096000000e-01  1.5223750000e+00 -2.7204020000e+00  6.1388200000e-01  1.0528930000e+00 -1.9448230000e+00  1.6884650000e+00  2.0082530000e+00 -2.4185900000e+00 -9.1230800000e-01 -1.5480180000e+00  2.6093620000e+00 -1.3544770000e+00 -7.0516300000e-01  2.7109140000e+00 -1.0553910000e+00 -1.9960720000e+00  3.4430330000e+00
+ENERGY -1.526543852153e+02
+FORCES  1.9426000000e-03 -2.8480000000e-04  4.4619000000e-03  1.1795000000e-03  2.2475000000e-03 -3.2520000000e-03 -3.1302000000e-03 -1.8420000000e-03 -1.2550000000e-03 -2.5748000000e-03  1.3054000000e-03  4.0524000000e-03  1.9938000000e-03 -3.3288000000e-03 -6.0540000000e-04  5.8920000000e-04  1.9028000000e-03 -3.4019000000e-03
+
+JOB 78
+COORDS  1.7304830000e+00  2.0731280000e+00 -1.8482210000e+00  2.0544650000e+00  1.9508010000e+00 -9.5586200000e-01  8.0488200000e-01  2.2915460000e+00 -1.7396540000e+00 -1.7379870000e+00 -2.0364380000e+00  1.8193080000e+00 -1.8597050000e+00 -2.9631930000e+00  1.6130520000e+00 -8.7896500000e-01 -1.8206120000e+00  1.4563580000e+00
+ENERGY -1.526541885012e+02
+FORCES -2.4889000000e-03  7.8500000000e-04  4.0029000000e-03 -1.3465000000e-03  2.3340000000e-04 -3.6333000000e-03  3.8788000000e-03 -1.0471000000e-03 -4.2850000000e-04  2.9324000000e-03 -3.2047000000e-03 -2.3444000000e-03  5.0490000000e-04  3.8255000000e-03  8.7710000000e-04 -3.4806000000e-03 -5.9220000000e-04  1.5262000000e-03
+
+JOB 79
+COORDS  7.9267600000e-01 -2.4802790000e+00 -1.9601970000e+00  1.6247340000e+00 -2.9038150000e+00 -1.7491760000e+00  5.4985000000e-01 -2.0158650000e+00 -1.1592050000e+00 -8.3927000000e-01  2.4365540000e+00  1.9609890000e+00 -2.1858300000e-01  2.2830550000e+00  1.2486570000e+00 -1.2660060000e+00  3.2626490000e+00  1.7336250000e+00
+ENERGY -1.526541788971e+02
+FORCES  2.2765000000e-03 -1.4420000000e-04  4.2437000000e-03 -3.3688000000e-03  1.8175000000e-03 -9.0100000000e-04  1.1367000000e-03 -1.6390000000e-03 -3.4182000000e-03  6.2850000000e-04  3.0784000000e-03 -3.8208000000e-03 -2.4651000000e-03  2.8710000000e-04  2.9399000000e-03  1.7923000000e-03 -3.3998000000e-03  9.5640000000e-04
+
+JOB 80
+COORDS  9.5692900000e-01  1.1432000000e-02  3.2926610000e+00  8.6840900000e-01  3.8708500000e-01  2.4167150000e+00  1.9002830000e+00 -5.6400000000e-04  3.4544330000e+00 -1.0252570000e+00 -8.8390000000e-02 -3.2805700000e+00 -1.1717640000e+00  8.2976100000e-01 -3.5080910000e+00 -4.2164800000e-01 -5.8327000000e-02 -2.5382870000e+00
+ENERGY -1.526536762719e+02
+FORCES  3.5327000000e-03  1.4175000000e-03 -2.6819000000e-03  3.3940000000e-04 -1.5164000000e-03  3.3370000000e-03 -3.9117000000e-03  8.4700000000e-05 -7.5290000000e-04  1.7025000000e-03  3.8049000000e-03  1.9710000000e-03  6.8500000000e-04 -3.7740000000e-03  1.0115000000e-03 -2.3479000000e-03 -1.6800000000e-05 -2.8847000000e-03
+
+JOB 81
+COORDS -1.5465570000e+00  7.1815300000e-01  3.0679620000e+00 -1.9033030000e+00 -1.3937000000e-01  2.8364060000e+00 -1.2935420000e+00  1.1068780000e+00  2.2306390000e+00  1.4999710000e+00 -6.5424800000e-01 -3.0351710000e+00  2.1656870000e+00 -4.3325800000e-01 -2.3838510000e+00  1.7326930000e+00 -1.5357960000e+00 -3.3266240000e+00
+ENERGY -1.526543562787e+02
+FORCES -5.7360000000e-04 -1.8631000000e-03 -4.5193000000e-03  1.4965000000e-03  3.4392000000e-03  1.0527000000e-03 -9.1930000000e-04 -1.5702000000e-03  3.5550000000e-03  3.8954000000e-03 -2.7304000000e-03  1.1995000000e-03 -2.8954000000e-03 -8.8390000000e-04 -2.5475000000e-03 -1.0036000000e-03  3.6084000000e-03  1.2597000000e-03
+
+JOB 82
+COORDS  3.3951880000e+00 -9.6285100000e-01  1.8885700000e-01  3.0734560000e+00 -1.0755800000e-01  4.7380200000e-01  3.4352210000e+00 -1.4836120000e+00  9.9100200000e-01 -3.4006820000e+00  8.7634200000e-01 -2.1949800000e-01 -3.9344390000e+00  1.6027260000e+00 -5.4152600000e-01 -2.5032580000e+00  1.2083430000e+00 -2.4474700000e-01
+ENERGY -1.526539762397e+02
+FORCES -1.0971000000e-03  1.1686000000e-03  4.5133000000e-03  1.1964000000e-03 -3.3789000000e-03 -1.2491000000e-03 -1.2880000000e-04  2.2020000000e-03 -3.2912000000e-03  1.4436000000e-03  4.2421000000e-03 -1.6232000000e-03  2.1959000000e-03 -2.9502000000e-03  1.3680000000e-03 -3.6100000000e-03 -1.2835000000e-03  2.8220000000e-04
+
+JOB 83
+COORDS  7.2863600000e-01  2.9777610000e+00  1.9629250000e+00  1.2546760000e+00  2.5073530000e+00  2.6096320000e+00  4.6800000000e-03  2.3838160000e+00  1.7645630000e+00 -6.8561300000e-01 -2.8667460000e+00 -1.9870010000e+00 -1.2919410000e+00 -3.1794470000e+00 -1.3155730000e+00 -7.5136200000e-01 -3.5134030000e+00 -2.6896710000e+00
+ENERGY -1.526541101987e+02
+FORCES -7.2850000000e-04 -4.5100000000e-03  1.5457000000e-03 -2.1600000000e-03  1.9741000000e-03 -2.5133000000e-03  2.8538000000e-03  2.5177000000e-03  1.0162000000e-03 -2.7122000000e-03 -3.9943000000e-03 -3.5540000000e-04  2.4995000000e-03  1.3869000000e-03 -2.6148000000e-03  2.4740000000e-04  2.6256000000e-03  2.9216000000e-03
+
+JOB 84
+COORDS  1.3047500000e+00  2.5198890000e+00 -2.3169140000e+00  1.3324670000e+00  2.9604840000e+00 -1.4675960000e+00  1.4246660000e+00  1.5929480000e+00 -2.1104360000e+00 -1.3505010000e+00 -2.5282380000e+00  2.2178320000e+00 -1.5441920000e+00 -2.0922410000e+00  3.0476640000e+00 -4.5903300000e-01 -2.2526910000e+00  2.0043130000e+00
+ENERGY -1.526538267366e+02
+FORCES  4.8960000000e-04 -1.9709000000e-03  4.1713000000e-03 -7.1700000000e-05 -1.8606000000e-03 -3.4048000000e-03 -4.0810000000e-04  3.7962000000e-03 -7.1150000000e-04  2.7169000000e-03  2.7369000000e-03  2.6694000000e-03  8.6230000000e-04 -1.7341000000e-03 -3.4600000000e-03 -3.5890000000e-03 -9.6740000000e-04  7.3560000000e-04
+
+JOB 85
+COORDS -1.1617730000e+00 -3.4385040000e+00 -1.4379480000e+00 -1.8911570000e+00 -3.8580340000e+00 -9.8163100000e-01 -1.3986510000e+00 -3.4865160000e+00 -2.3641310000e+00  1.2335340000e+00  3.4246770000e+00  1.4168890000e+00  6.3594900000e-01  3.1754290000e+00  2.1218700000e+00  1.4235290000e+00  4.3487540000e+00  1.5788040000e+00
+ENERGY -1.526538710882e+02
+FORCES -3.8719000000e-03 -1.7917000000e-03 -1.9735000000e-03  2.9624000000e-03  1.7009000000e-03 -1.8244000000e-03  9.3140000000e-04  1.3130000000e-04  3.7880000000e-03 -1.6904000000e-03  2.5728000000e-03  3.5204000000e-03  2.4380000000e-03  1.1321000000e-03 -2.8320000000e-03 -7.6950000000e-04 -3.7453000000e-03 -6.7850000000e-04
+
+JOB 86
+COORDS -3.8361770000e+00 -5.2961900000e-01 -6.3402700000e-01 -3.4688010000e+00 -6.2800700000e-01 -1.5124270000e+00 -4.7837650000e+00 -5.6349900000e-01 -7.6502800000e-01  3.8453420000e+00  4.8909600000e-01  7.3636900000e-01  4.4484450000e+00  1.2034560000e+00  9.4176800000e-01  3.6595680000e+00  5.9271000000e-01 -1.9689600000e-01
+ENERGY -1.526538819739e+02
+FORCES -2.3278000000e-03 -6.0390000000e-04 -4.0482000000e-03 -1.5005000000e-03  4.4600000000e-04  3.5389000000e-03  3.8673000000e-03  1.5740000000e-04  5.2310000000e-04  1.5497000000e-03  3.3690000000e-03 -2.9099000000e-03 -2.4181000000e-03 -2.9270000000e-03 -8.5270000000e-04  8.2940000000e-04 -4.4160000000e-04  3.7488000000e-03
+
+JOB 87
+COORDS  1.4578270000e+00 -3.3978000000e-01 -3.6689340000e+00  7.4784600000e-01 -8.5431000000e-01 -3.2849860000e+00  1.5266470000e+00 -6.5955800000e-01 -4.5685100000e+00 -1.3936740000e+00  4.5383400000e-01  3.7068020000e+00 -1.6442290000e+00 -1.7767000000e-01  4.3810840000e+00 -1.5641320000e+00  2.4980000000e-03  2.8800780000e+00
+ENERGY -1.526538874022e+02
+FORCES -2.5550000000e-03 -3.3452000000e-03 -2.1700000000e-03  2.8482000000e-03  2.0707000000e-03 -1.4871000000e-03 -2.9790000000e-04  1.2896000000e-03  3.6985000000e-03 -1.6299000000e-03 -4.3623000000e-03 -6.2750000000e-04  1.0029000000e-03  2.5680000000e-03 -2.7695000000e-03  6.3170000000e-04  1.7791000000e-03  3.3555000000e-03
+
+JOB 88
+COORDS -3.5730610000e+00 -1.9269490000e+00 -1.5646300000e+00 -3.4390500000e+00 -1.7573860000e+00 -6.3214900000e-01 -4.5222640000e+00 -1.8877210000e+00 -1.6816990000e+00  3.6245780000e+00  1.9893160000e+00  1.5308110000e+00  2.8636220000e+00  1.4639960000e+00  1.7782320000e+00  4.2661920000e+00  1.3507020000e+00  1.2197890000e+00
+ENERGY -1.526540704108e+02
+FORCES -3.4337000000e-03  8.8390000000e-04  3.2554000000e-03 -4.4810000000e-04 -7.0440000000e-04 -3.7690000000e-03  3.8919000000e-03 -1.7620000000e-04  5.0110000000e-04 -4.7720000000e-04 -4.7703000000e-03 -3.8080000000e-04  3.0699000000e-03  2.1532000000e-03 -9.2890000000e-04 -2.6027000000e-03  2.6137000000e-03  1.3222000000e-03
+
+JOB 89
+COORDS  1.0759080000e+00 -4.9556420000e+00 -1.9270960000e+00  1.5677710000e+00 -4.1355400000e+00 -1.8854330000e+00  1.0631310000e+00 -5.2739410000e+00 -1.0244580000e+00 -1.0552140000e+00  4.9675300000e+00  1.8711710000e+00 -1.9445960000e+00  5.1141510000e+00  2.1932500000e+00 -1.0651620000e+00  4.0698140000e+00  1.5391470000e+00
+ENERGY -1.526540642721e+02
+FORCES  2.0263000000e-03  1.9927000000e-03  3.8254000000e-03 -2.0554000000e-03 -3.3215000000e-03 -1.5140000000e-04  1.9600000000e-05  1.3292000000e-03 -3.6770000000e-03 -3.7205000000e-03 -3.0143000000e-03 -5.7900000000e-05  3.6453000000e-03 -6.1480000000e-04 -1.3060000000e-03  8.4700000000e-05  3.6288000000e-03  1.3668000000e-03
+
+JOB 0
+COORDS  9.9433000000e-02  1.0022210000e+00 -6.6842500000e-01  1.9134300000e-01  3.5898800000e-01 -1.3713020000e+00 -5.7833700000e-01  1.6023380000e+00 -9.7942300000e-01 -8.9662000000e-02 -1.0326860000e+00  7.8615500000e-01 -2.8249800000e-01 -1.2233900000e-01  5.6184700000e-01  3.6961300000e-01 -1.3765300000e+00  1.9951000000e-02
+ENERGY -1.526501518448e+02
+FORCES -1.5414000000e-03 -1.4803300000e-02  5.1591000000e-03 -5.2610000000e-04  9.2780000000e-04  5.4954000000e-03  2.7899000000e-03 -5.1273000000e-03  2.9507000000e-03  3.4859000000e-03  2.1708600000e-02 -1.4965900000e-02 -2.9101000000e-03 -3.9172000000e-03  2.4586000000e-03 -1.2980000000e-03  1.2114000000e-03 -1.0979000000e-03
+
+JOB 1
+COORDS -1.6650500000e-01  3.3960700000e-01 -1.2795490000e+00  4.6071200000e-01 -2.1914200000e-01 -1.7384920000e+00 -2.3924900000e-01 -4.7499000000e-02 -4.0714500000e-01  1.3886000000e-01 -2.9386000000e-01  1.1950000000e+00 -6.4136300000e-01 -1.8235500000e-01  1.7381850000e+00  8.6463200000e-01 -3.1419500000e-01  1.8187580000e+00
+ENERGY -1.526554190759e+02
+FORCES  5.2872000000e-03 -6.3103000000e-03  1.8338200000e-02 -9.2300000000e-04  1.4902000000e-03  1.9007000000e-03 -6.0085000000e-03  2.6630000000e-04 -3.5310000000e-03  2.0992000000e-03  5.1345000000e-03 -1.2017800000e-02  4.4699000000e-03 -3.4040000000e-04 -3.7626000000e-03 -4.9248000000e-03 -2.4030000000e-04 -9.2740000000e-04
+
+JOB 2
+COORDS -1.3043100000e+00 -2.8862500000e-01 -1.8912600000e-01 -1.4873680000e+00  7.1011000000e-02 -1.0571030000e+00 -3.6449500000e-01 -1.5422800000e-01 -6.6992000000e-02  1.2017010000e+00  2.6301700000e-01  2.2012900000e-01  1.7250880000e+00  1.0627250000e+00  1.6754700000e-01  1.8455830000e+00 -4.3994100000e-01  3.0672500000e-01
+ENERGY -1.526578798895e+02
+FORCES  1.8228300000e-02  5.4956000000e-03  1.0859000000e-03  1.3607000000e-03 -2.0930000000e-04  2.2658000000e-03 -5.4354000000e-03 -4.2475000000e-03 -8.2730000000e-04 -1.0868400000e-02 -4.3800000000e-04 -2.0069000000e-03 -3.7800000000e-04 -5.2697000000e-03  1.6260000000e-04 -2.9071000000e-03  4.6688000000e-03 -6.8010000000e-04
+
+JOB 3
+COORDS  6.2113600000e-01 -1.1278650000e+00  2.4358600000e-01  3.6579600000e-01 -1.6313930000e+00 -5.2939000000e-01  1.5389330000e+00 -9.0289600000e-01  9.1043000000e-02 -7.1829200000e-01  1.1617890000e+00 -1.9068400000e-01 -2.7362400000e-01  4.4701400000e-01  2.6494700000e-01 -4.8355000000e-02  1.5346560000e+00 -7.6373400000e-01
+ENERGY -1.526576418115e+02
+FORCES -2.9139000000e-03  3.9529000000e-03 -6.6176000000e-03  2.9112000000e-03  2.3696000000e-03  3.8406000000e-03 -5.7260000000e-03  7.9050000000e-04 -2.5020000000e-04  1.0371800000e-02 -1.3859700000e-02  2.3210000000e-03 -3.3647000000e-03  8.3189000000e-03 -5.7080000000e-04 -1.2784000000e-03 -1.5722000000e-03  1.2770000000e-03
+
+JOB 4
+COORDS -5.7099000000e-01  1.3061900000e-01  1.2128480000e+00 -1.4833180000e+00  1.2621900000e-01  9.2324500000e-01 -5.2908700000e-01 -5.5018900000e-01  1.8843960000e+00  6.8347600000e-01 -8.9929000000e-02 -1.2471970000e+00 -5.7647000000e-02  1.3517800000e-01 -1.8095980000e+00  2.8292400000e-01 -4.0000900000e-01 -4.3501400000e-01
+ENERGY -1.526567376529e+02
+FORCES -2.5466000000e-03  6.7550000000e-04  5.4020000000e-04  5.9397000000e-03 -1.2299000000e-03 -4.5720000000e-04  2.4450000000e-04  2.9644000000e-03 -5.2861000000e-03 -7.3136000000e-03  2.0983000000e-03  1.1224200000e-02  1.4981000000e-03 -7.1740000000e-04  2.3929000000e-03  2.1779000000e-03 -3.7908000000e-03 -8.4140000000e-03
+
+JOB 5
+COORDS -1.1886750000e+00 -6.4261800000e-01  2.2280500000e-01 -1.8575940000e+00 -1.7286700000e-01  7.2091500000e-01 -7.6730800000e-01 -1.2131780000e+00  8.6556700000e-01  1.2602880000e+00  6.3113100000e-01 -3.1892500000e-01  4.7627600000e-01  1.0791100000e-01 -1.5219300000e-01  1.0810680000e+00  1.4724930000e+00  1.0086200000e-01
+ENERGY -1.526588982136e+02
+FORCES -1.1921000000e-03  1.5964000000e-03  3.5405000000e-03  3.7247000000e-03 -2.7471000000e-03 -1.8638000000e-03  1.5850000000e-04  5.8595000000e-03 -4.6021000000e-03 -1.3311500000e-02 -2.1153000000e-03  2.0815000000e-03  1.0088900000e-02 -2.6530000000e-04  1.6558000000e-03  5.3150000000e-04 -2.3282000000e-03 -8.1190000000e-04
+
+JOB 6
+COORDS  2.0834900000e-01 -1.3656190000e+00 -7.5503000000e-02  3.1598400000e-01 -6.7213400000e-01 -7.2644500000e-01  4.9469600000e-01 -2.1616640000e+00 -5.2333000000e-01 -1.7904100000e-01  1.3251280000e+00  1.2577800000e-01 -2.1134800000e-01  1.9861220000e+00  8.1735200000e-01 -1.0225360000e+00  1.4027730000e+00 -3.2000100000e-01
+ENERGY -1.526544751065e+02
+FORCES  1.6077000000e-03  6.2537000000e-03 -2.0759000000e-03 -1.8635000000e-03 -6.2585000000e-03 -1.4293000000e-03 -1.1276000000e-03  4.4257000000e-03  1.8372000000e-03 -2.7753000000e-03 -1.1034000000e-03  4.1450000000e-03 -6.4320000000e-04 -2.2560000000e-03 -2.9642000000e-03  4.8019000000e-03 -1.0615000000e-03  4.8730000000e-04
+
+JOB 7
+COORDS  1.1214010000e+00 -9.2792500000e-01  2.1112300000e-01  8.4856300000e-01 -1.6823810000e+00 -3.1097600000e-01  4.1191300000e-01 -2.9405700000e-01  1.0590400000e-01 -1.0009330000e+00  9.1901700000e-01 -1.7575000000e-01 -1.5864950000e+00  1.0148680000e+00  5.7535600000e-01 -1.5389010000e+00  1.1558740000e+00 -9.3121200000e-01
+ENERGY -1.526611962466e+02
+FORCES -9.2784000000e-03  5.4901000000e-03 -3.8121000000e-03  6.4730000000e-04  2.1606000000e-03  1.2693000000e-03  6.7283000000e-03 -6.1155000000e-03  3.3623000000e-03 -1.7741000000e-03 -9.6100000000e-05 -8.5280000000e-04  2.4961000000e-03 -5.9910000000e-04 -4.4394000000e-03  1.1807000000e-03 -8.4000000000e-04  4.4727000000e-03
+
+JOB 8
+COORDS -2.3510000000e-02  1.4319360000e+00 -6.2840000000e-02 -1.7347400000e-01  1.1188950000e+00  8.2920700000e-01  8.1499500000e-01  1.8914400000e+00 -1.8141000000e-02 -5.2913000000e-02 -1.4761200000e+00  5.9786000000e-02 -3.2446100000e-01 -7.1578600000e-01 -4.5439800000e-01  8.3145600000e-01 -1.6717630000e+00 -2.4980600000e-01
+ENERGY -1.526592685134e+02
+FORCES  3.7604000000e-03 -1.1807000000e-03  5.5682000000e-03  2.0990000000e-04  2.1836000000e-03 -5.3585000000e-03 -3.3616000000e-03 -2.2276000000e-03  1.9670000000e-04  3.2313000000e-03  7.5386000000e-03 -5.4218000000e-03 -1.1315000000e-03 -6.6136000000e-03  3.4893000000e-03 -2.7085000000e-03  2.9970000000e-04  1.5261000000e-03
+
+JOB 9
+COORDS -8.2795900000e-01 -1.1621580000e+00  2.3861500000e-01  3.2857000000e-02 -1.1837800000e+00 -1.7942700000e-01 -1.4292050000e+00 -1.4834540000e+00 -4.3332500000e-01  8.5816700000e-01  1.1906900000e+00 -2.3100900000e-01  9.9797100000e-01  1.4299210000e+00  6.8520900000e-01 -1.0597000000e-02  7.8906200000e-01 -2.4429900000e-01
+ENERGY -1.526594244174e+02
+FORCES  3.0125000000e-03 -4.1038000000e-03 -2.9654000000e-03 -6.8771000000e-03  2.8156000000e-03  1.6139000000e-03  3.4215000000e-03  2.7947000000e-03  2.5542000000e-03 -6.8670000000e-03 -1.6358000000e-03  5.9530000000e-03  1.8340000000e-04 -8.0970000000e-04 -3.5716000000e-03  7.1267000000e-03  9.3910000000e-04 -3.5841000000e-03
+
+JOB 10
+COORDS -1.4843610000e+00  3.3174000000e-02  1.2244400000e-01 -1.9357960000e+00  7.3205100000e-01 -3.5085100000e-01 -5.7461400000e-01  9.4942000000e-02 -1.6872100000e-01  1.4339670000e+00 -6.1468000000e-02 -1.2852700000e-01  1.1733620000e+00  1.6581700000e-01  7.6403000000e-01  2.2215340000e+00 -5.9460200000e-01 -2.0185000000e-02
+ENERGY -1.526593775402e+02
+FORCES  4.7479000000e-03  7.5680000000e-04 -5.4404000000e-03  2.1199000000e-03 -2.3657000000e-03  1.5549000000e-03 -5.8111000000e-03  3.1253000000e-03  6.8597000000e-03  3.2012000000e-03 -3.4040000000e-03  3.4307000000e-03 -1.4991000000e-03 -1.3179000000e-03 -7.1589000000e-03 -2.7589000000e-03  3.2056000000e-03  7.5400000000e-04
+
+JOB 11
+COORDS -4.2425200000e-01 -3.2917900000e-01 -1.4230940000e+00 -3.2666100000e-01 -1.4144300000e-01 -4.8957200000e-01  4.5020100000e-01 -1.9327800000e-01 -1.7879140000e+00  2.9947500000e-01  3.0854600000e-01  1.3792490000e+00  9.2477000000e-01  8.7857600000e-01  9.3169500000e-01  8.3602400000e-01 -2.1730600000e-01  1.9723980000e+00
+ENERGY -1.526587077262e+02
+FORCES  3.3571000000e-03  4.1000000000e-04  8.2260000000e-03  2.8500000000e-04  1.5137000000e-03 -9.8418000000e-03 -2.4369000000e-03  3.5340000000e-04  2.0434000000e-03  4.8364000000e-03 -7.1320000000e-04  3.0815000000e-03 -4.2116000000e-03 -5.1069000000e-03 -6.5190000000e-04 -1.8299000000e-03  3.5430000000e-03 -2.8572000000e-03
+
+JOB 12
+COORDS  3.9380000000e-03 -1.5362800000e-01  1.5077550000e+00  4.9121700000e-01 -1.4778600000e-01  6.8388800000e-01 -5.3018200000e-01 -9.4680100000e-01  1.4650500000e+00  3.0949000000e-02  2.4403700000e-01 -1.4119480000e+00 -8.6971400000e-01 -7.8986000000e-02 -1.4383030000e+00  4.5505900000e-01 -1.6582700000e-01 -2.1658540000e+00
+ENERGY -1.526584702162e+02
+FORCES  1.0005000000e-03 -1.3688000000e-03 -8.9100000000e-03 -3.9350000000e-04 -2.0313000000e-03  8.3139000000e-03  9.0630000000e-04  2.8291000000e-03 -2.8100000000e-04 -4.3372000000e-03 -9.4030000000e-04 -3.3995000000e-03  4.9518000000e-03  1.5520000000e-04 -1.0550000000e-04 -2.1279000000e-03  1.3561000000e-03  4.3822000000e-03
+
+JOB 13
+COORDS  7.1916700000e-01 -1.1484680000e+00  5.5146600000e-01  1.2169710000e+00 -3.9723500000e-01  8.7406900000e-01  1.0329640000e+00 -1.8865590000e+00  1.0739460000e+00 -7.8228000000e-01  1.1897360000e+00 -5.5498700000e-01 -9.4307600000e-01  2.4613800000e-01 -5.5518100000e-01 -3.5099900000e-01  1.3598620000e+00 -1.3924150000e+00
+ENERGY -1.526591687703e+02
+FORCES  3.3381000000e-03  2.0255000000e-03  3.7789000000e-03 -5.7480000000e-04 -5.3123000000e-03 -9.2980000000e-04 -1.0722000000e-03  3.6940000000e-03 -1.9360000000e-03  1.2781000000e-03 -6.6200000000e-03 -2.4814000000e-03 -1.8665000000e-03  6.4654000000e-03 -1.8098000000e-03 -1.1026000000e-03 -2.5260000000e-04  3.3782000000e-03
+
+JOB 14
+COORDS  9.5461000000e-02  7.2322000000e-02 -1.5409060000e+00 -2.0820500000e-01  9.6799600000e-01 -1.6885090000e+00  2.0831300000e-01  1.0420000000e-02 -5.9240000000e-01 -8.1359000000e-02 -1.4963200000e-01  1.4487270000e+00 -8.6268900000e-01 -1.1483100000e-01  2.0005830000e+00  5.3407400000e-01  4.5330600000e-01  1.8657880000e+00
+ENERGY -1.526603533670e+02
+FORCES -2.0989000000e-03  1.5576000000e-03  8.6151000000e-03  1.0561000000e-03 -2.5978000000e-03  4.7600000000e-04  2.9934000000e-03  1.8719000000e-03 -9.1760000000e-03 -2.9427000000e-03  9.8450000000e-04  4.6368000000e-03  4.4034000000e-03  5.2970000000e-04 -1.3279000000e-03 -3.4112000000e-03 -2.3459000000e-03 -3.2239000000e-03
+
+JOB 15
+COORDS -1.2446520000e+00  6.1187400000e-01 -7.4608200000e-01 -5.6717800000e-01  1.2825610000e+00 -6.5982700000e-01 -7.5989700000e-01 -2.0714600000e-01 -8.4831300000e-01  1.2257660000e+00 -6.2697600000e-01  7.2824400000e-01  1.0553050000e+00  3.1412000000e-01  7.6715000000e-01  4.1563100000e-01 -1.0306810000e+00  1.0395890000e+00
+ENERGY -1.526549150387e+02
+FORCES  7.0261000000e-03 -1.5287000000e-03 -2.1119000000e-03 -2.0465000000e-03 -2.4609000000e-03  2.1976000000e-03 -4.3113000000e-03  2.9175000000e-03  2.1722000000e-03 -5.0487000000e-03  3.0190000000e-03  4.3537000000e-03  7.0840000000e-04 -2.8173000000e-03 -2.9213000000e-03  3.6719000000e-03  8.7040000000e-04 -3.6903000000e-03
+
+JOB 16
+COORDS -5.2324000000e-01  1.4020290000e+00 -1.7585300000e-01 -9.0955600000e-01  6.2959500000e-01  2.3686700000e-01 -1.2739060000e+00  1.9367660000e+00 -4.3428600000e-01  5.7419800000e-01 -1.3335750000e+00  1.8414800000e-01  1.0978550000e+00 -1.9840710000e+00  6.5198500000e-01  3.3004600000e-01 -1.7656450000e+00 -6.3434900000e-01
+ENERGY -1.526561969587e+02
+FORCES -2.1875000000e-03 -3.7333000000e-03  2.5014000000e-03 -2.0798000000e-03  6.1811000000e-03 -2.6769000000e-03  3.1249000000e-03 -2.9282000000e-03  7.1760000000e-04  3.1023000000e-03 -3.7037000000e-03 -2.4037000000e-03 -2.1435000000e-03  2.8002000000e-03 -2.4149000000e-03  1.8370000000e-04  1.3839000000e-03  4.2765000000e-03
+
+JOB 17
+COORDS  8.5439100000e-01 -1.2136070000e+00 -3.8443700000e-01  1.6371740000e+00 -8.5605400000e-01  3.4656000000e-02  3.8392200000e-01 -1.6549700000e+00  3.2273400000e-01 -8.8386200000e-01  1.2760350000e+00  3.5592200000e-01 -5.6351800000e-01  4.2507300000e-01  6.5504400000e-01 -9.7077400000e-01  1.1798990000e+00 -5.9246400000e-01
+ENERGY -1.526560096013e+02
+FORCES  3.8726000000e-03 -1.4944000000e-03  3.2581000000e-03 -4.6589000000e-03 -1.7144000000e-03 -1.5112000000e-03  5.8040000000e-04  5.5393000000e-03 -2.7985000000e-03  3.7306000000e-03 -6.9846000000e-03 -6.1773000000e-03 -2.1749000000e-03  2.1358000000e-03  3.8364000000e-03 -1.3498000000e-03  2.5183000000e-03  3.3925000000e-03
+
+JOB 18
+COORDS  1.2988900000e+00  9.1222700000e-01 -8.1841000000e-02  7.8848000000e-01  1.0928000000e-01  2.2992000000e-02  1.1809130000e+00  1.1533550000e+00 -1.0006290000e+00 -1.2297660000e+00 -8.1819500000e-01  1.4525400000e-01 -1.5270040000e+00 -1.0922590000e+00 -7.2237000000e-01 -1.4737020000e+00 -1.5419680000e+00  7.2221200000e-01
+ENERGY -1.526589285682e+02
+FORCES -7.2515000000e-03 -4.1253000000e-03 -1.7179000000e-03  7.9210000000e-03  4.0127000000e-03 -1.4423000000e-03  5.6450000000e-04 -8.3440000000e-04  2.6306000000e-03 -4.7439000000e-03 -3.7893000000e-03 -2.8270000000e-04  2.3412000000e-03  1.4186000000e-03  3.9969000000e-03  1.1688000000e-03  3.3177000000e-03 -3.1846000000e-03
+
+JOB 19
+COORDS  1.4708230000e+00 -4.1030100000e-01 -1.4022000000e-02  1.4732390000e+00  5.4015200000e-01  9.9396000000e-02  2.2123820000e+00 -5.8471700000e-01 -5.9359200000e-01 -1.5591860000e+00  3.9443900000e-01  4.2260000000e-03 -1.0242850000e+00  8.0799100000e-01  6.8178600000e-01 -1.2651120000e+00 -5.1634000000e-01 -1.1066000000e-02
+ENERGY -1.526560316800e+02
+FORCES  3.0933000000e-03  3.8540000000e-03 -3.4762000000e-03 -5.6260000000e-04 -4.0326000000e-03  1.2629000000e-03 -3.1635000000e-03  9.1330000000e-04  2.4096000000e-03  6.4453000000e-03 -4.6578000000e-03  2.2702000000e-03 -1.2380000000e-03  5.4240000000e-04 -2.6829000000e-03 -4.5745000000e-03  3.3807000000e-03  2.1640000000e-04
+
+JOB 20
+COORDS -1.3073170000e+00 -6.5986400000e-01  3.2316300000e-01 -1.9458160000e+00 -1.1800230000e+00  8.1100100000e-01 -1.7589720000e+00 -4.2371100000e-01 -4.8706600000e-01  1.4118800000e+00  6.5867400000e-01 -3.5437500000e-01  5.5259100000e-01  3.1689800000e-01 -1.0730600000e-01  1.6088390000e+00  1.3171880000e+00  3.1180800000e-01
+ENERGY -1.526602960909e+02
+FORCES -5.0102000000e-03 -3.2158000000e-03  4.2880000000e-04  1.5194000000e-03  2.4119000000e-03 -3.0514000000e-03  2.9630000000e-03 -6.8620000000e-04  4.2545000000e-03 -5.0926000000e-03 -1.3508000000e-03  5.3001000000e-03  6.1007000000e-03  4.9029000000e-03 -4.6838000000e-03 -4.8040000000e-04 -2.0619000000e-03 -2.2481000000e-03
+
+JOB 21
+COORDS  7.0833600000e-01  1.3422600000e+00  2.6713400000e-01 -1.1049100000e-01  1.2211150000e+00  7.4784000000e-01  1.2832090000e+00  1.7966360000e+00  8.8300300000e-01 -6.5449900000e-01 -1.3313080000e+00 -3.8414800000e-01 -1.5885360000e+00 -1.5383910000e+00 -3.5376600000e-01 -3.2469900000e-01 -1.5830020000e+00  4.7847300000e-01
+ENERGY -1.526527184713e+02
+FORCES -3.1185000000e-03  4.5860000000e-04  2.6345000000e-03  3.9374000000e-03  1.7182000000e-03  2.4600000000e-05 -2.3891000000e-03 -3.0318000000e-03 -2.6359000000e-03  9.8000000000e-06 -2.6715000000e-03  2.8282000000e-03  4.1644000000e-03  2.2277000000e-03  2.1880000000e-04 -2.6040000000e-03  1.2989000000e-03 -3.0703000000e-03
+
+JOB 22
+COORDS -7.9146700000e-01  3.5657700000e-01  1.2587810000e+00 -1.5599860000e+00  7.1033000000e-02  1.7528210000e+00 -1.0816490000e+00  1.1432590000e+00  7.9709000000e-01  8.7290900000e-01 -4.2311700000e-01 -1.3146140000e+00  1.0297650000e+00  5.1119000000e-01 -1.1778760000e+00  3.3662300000e-01 -6.8830500000e-01 -5.6741500000e-01
+ENERGY -1.526587116935e+02
+FORCES -5.4790000000e-03  2.9504000000e-03  1.9255000000e-03  3.3753000000e-03  1.5588000000e-03 -2.4717000000e-03  2.2087000000e-03 -3.9300000000e-03  1.5346000000e-03 -2.5206000000e-03  2.7392000000e-03  7.5392000000e-03 -8.4350000000e-04 -2.2424000000e-03 -1.6515000000e-03  3.2591000000e-03 -1.0761000000e-03 -6.8761000000e-03
+
+JOB 23
+COORDS -1.3667210000e+00 -2.3452500000e-01  6.2382800000e-01 -1.9106960000e+00 -8.3237500000e-01  1.1109300000e-01 -1.9927640000e+00  3.1974200000e-01  1.0897580000e+00  1.4536300000e+00  2.3130600000e-01 -6.8689000000e-01  5.7628900000e-01  4.9777900000e-01 -4.1212400000e-01  1.9126920000e+00  3.7874000000e-02  1.3047000000e-01
+ENERGY -1.526599286833e+02
+FORCES -5.9495000000e-03 -2.2916000000e-03 -1.5800000000e-05  1.7406000000e-03  3.2336000000e-03  2.8552000000e-03  3.0282000000e-03 -2.5235000000e-03 -2.3379000000e-03 -5.4862000000e-03 -1.0441000000e-03  6.3938000000e-03  7.0845000000e-03  1.7436000000e-03 -3.9244000000e-03 -4.1760000000e-04  8.8190000000e-04 -2.9708000000e-03
+
+JOB 24
+COORDS -9.1344000000e-02  1.5819220000e+00  2.3946900000e-01  3.4957700000e-01  1.2087930000e+00 -5.2381000000e-01  5.8484700000e-01  1.6120960000e+00  9.1629100000e-01  3.9505000000e-02 -1.5820580000e+00 -2.8696400000e-01  6.5405900000e-01 -1.3391470000e+00  4.0553100000e-01 -8.2472000000e-01 -1.4216270000e+00  9.1994000000e-02
+ENERGY -1.526561875801e+02
+FORCES  4.6082000000e-03 -2.0955000000e-03 -2.5598000000e-03 -1.1585000000e-03  3.5309000000e-03  4.2118000000e-03 -2.8835000000e-03 -1.5779000000e-03 -2.4111000000e-03 -3.1998000000e-03  3.2524000000e-03  6.0154000000e-03 -9.1110000000e-04 -4.8090000000e-04 -3.3307000000e-03  3.5447000000e-03 -2.6291000000e-03 -1.9255000000e-03
+
+JOB 25
+COORDS  7.3926200000e-01 -6.8473000000e-02 -1.4339150000e+00  2.1419000000e-01 -4.4033300000e-01 -2.1426120000e+00  1.6268100000e-01 -9.2048000000e-02 -6.7021900000e-01 -6.6987800000e-01  6.2388000000e-02  1.3798070000e+00 -9.3607800000e-01  9.7850300000e-01  1.4579240000e+00 -4.9736300000e-01 -2.1495500000e-01  2.2795570000e+00
+ENERGY -1.526606020201e+02
+FORCES -4.7334000000e-03 -2.1544000000e-03  3.9828000000e-03  1.5576000000e-03  1.3769000000e-03  2.6323000000e-03  3.1079000000e-03  1.4733000000e-03 -9.0747000000e-03  5.1590000000e-04  1.6509000000e-03  6.3667000000e-03  1.2672000000e-03 -4.5342000000e-03 -6.9980000000e-04 -1.7151000000e-03  2.1876000000e-03 -3.2072000000e-03
+
+JOB 26
+COORDS -1.1902330000e+00 -1.1259370000e+00  2.8059000000e-02 -9.1742900000e-01 -1.1657560000e+00  9.4469600000e-01 -7.7707000000e-01 -3.3186200000e-01 -3.1101700000e-01  1.1231480000e+00  1.0823980000e+00 -1.3930000000e-03  9.9978400000e-01  5.2556800000e-01 -7.7012800000e-01  1.7967360000e+00  1.7093870000e+00 -2.6482200000e-01
+ENERGY -1.526554403062e+02
+FORCES  2.9479000000e-03  5.0632000000e-03  5.2397000000e-03 -2.0685000000e-03 -1.4220000000e-03 -3.5548000000e-03  1.3213000000e-03 -4.3225000000e-03 -3.3698000000e-03  4.7695000000e-03  1.5982000000e-03 -4.2784000000e-03 -4.2756000000e-03  2.2897000000e-03  4.8124000000e-03 -2.6946000000e-03 -3.2066000000e-03  1.1509000000e-03
+
+JOB 27
+COORDS -1.2674250000e+00  5.5098500000e-01 -6.7865600000e-01 -1.7085350000e+00  9.9285400000e-01  4.6883000000e-02 -1.9593070000e+00  3.9647300000e-01 -1.3218170000e+00  1.3326240000e+00 -6.2535300000e-01  7.1167300000e-01  2.0571330000e+00 -2.5186700000e-01  2.0984900000e-01  5.9245900000e-01 -4.5487000000e-02  5.3238900000e-01
+ENERGY -1.526581721296e+02
+FORCES -6.0705000000e-03 -5.6090000000e-04 -2.3547000000e-03  3.6648000000e-03 -2.5153000000e-03 -2.7330000000e-03  2.1964000000e-03  1.6679000000e-03  3.0593000000e-03 -3.0739000000e-03  3.9601000000e-03 -5.6895000000e-03 -2.0282000000e-03 -1.4684000000e-03  2.0158000000e-03  5.3115000000e-03 -1.0834000000e-03  5.7022000000e-03
+
+JOB 28
+COORDS -2.8913300000e-01  1.5129170000e+00  6.7587300000e-01  1.2659400000e-01  6.5101600000e-01  6.9886300000e-01 -1.1945890000e+00  1.3359010000e+00  4.2083000000e-01  3.1392100000e-01 -1.3949550000e+00 -6.2895900000e-01 -3.1067200000e-01 -1.7042890000e+00 -1.2850280000e+00  9.9036900000e-01 -2.0717220000e+00 -6.0372100000e-01
+ENERGY -1.526586667529e+02
+FORCES -9.7270000000e-04 -7.4486000000e-03 -2.8465000000e-03 -1.2061000000e-03  6.6155000000e-03  3.3234000000e-03  2.3230000000e-03  1.5442000000e-03  8.8350000000e-04  2.9940000000e-04 -4.4541000000e-03 -4.0723000000e-03  2.7170000000e-03  8.5300000000e-04  2.9902000000e-03 -3.1605000000e-03  2.8899000000e-03 -2.7830000000e-04
+
+JOB 29
+COORDS -1.0485800000e+00  1.2425950000e+00 -2.7117200000e-01 -9.0721200000e-01  3.8528700000e-01  1.3041100000e-01 -1.8537460000e+00  1.5667960000e+00  1.3235200000e-01  1.0185690000e+00 -1.1953220000e+00  2.4822200000e-01  1.7538680000e+00 -6.4827500000e-01 -2.8014000000e-02  1.3625270000e+00 -2.0883330000e+00  2.2689800000e-01
+ENERGY -1.526593008123e+02
+FORCES -1.2876000000e-03 -4.0787000000e-03  3.2313000000e-03 -3.7570000000e-03  6.9678000000e-03 -1.6326000000e-03  2.9284000000e-03 -1.5478000000e-03 -1.3611000000e-03  5.6372000000e-03 -1.7478000000e-03 -1.8481000000e-03 -2.7163000000e-03 -3.4600000000e-03  1.5631000000e-03 -8.0480000000e-04  3.8664000000e-03  4.7500000000e-05
+
+JOB 30
+COORDS -1.1137940000e+00 -9.6001300000e-01  6.1156900000e-01 -1.1492930000e+00 -1.7630890000e+00  1.1312240000e+00 -1.7667210000e+00 -3.8596300000e-01  1.0120500000e+00  1.1777030000e+00  1.0105620000e+00 -6.1894500000e-01  2.6843900000e-01  7.1384700000e-01 -6.5677200000e-01  1.6082540000e+00  5.5781100000e-01 -1.3441170000e+00
+ENERGY -1.526571569271e+02
+FORCES -1.5726000000e-03 -2.5538000000e-03  5.4258000000e-03 -7.1730000000e-04  3.3337000000e-03 -1.9477000000e-03  3.1239000000e-03 -2.0503000000e-03 -2.5758000000e-03 -3.6525000000e-03 -5.9531000000e-03 -1.3440000000e-03  3.9117000000e-03  5.3609000000e-03 -1.9981000000e-03 -1.0932000000e-03  1.8627000000e-03  2.4398000000e-03
+
+JOB 31
+COORDS  1.4337520000e+00  5.8074900000e-01  5.9335400000e-01  9.3047500000e-01 -1.8875500000e-01  8.5945000000e-01  1.3402970000e+00  1.1928230000e+00  1.3233300000e+00 -1.4672330000e+00 -5.7893100000e-01 -6.3521100000e-01 -7.6198700000e-01 -4.5722400000e-01  4.3600000000e-04 -1.0186120000e+00 -6.8411500000e-01 -1.4742030000e+00
+ENERGY -1.526521415862e+02
+FORCES -5.3840000000e-04  8.8350000000e-04  5.7472000000e-03 -3.1250000000e-03  3.5453000000e-03 -4.8760000000e-03  6.0740000000e-04 -3.1878000000e-03 -3.5413000000e-03  6.2022000000e-03  2.6878000000e-03 -2.6455000000e-03 -3.8660000000e-04 -3.4335000000e-03  1.9656000000e-03 -2.7597000000e-03 -4.9520000000e-04  3.3499000000e-03
+
+JOB 32
+COORDS -1.0720390000e+00  9.8323800000e-01  6.5911300000e-01 -1.6044530000e+00  8.2071600000e-01  1.4378000000e+00 -8.2843700000e-01  1.9066870000e+00  7.2340300000e-01  1.1488230000e+00 -1.0399960000e+00 -6.7258200000e-01  1.1237400000e+00 -8.5677800000e-01 -1.6117490000e+00  2.3772000000e-01 -9.6465100000e-01 -3.8895400000e-01
+ENERGY -1.526576744678e+02
+FORCES  2.1780000000e-04  4.9354000000e-03  3.8055000000e-03  2.3999000000e-03  3.9190000000e-04 -3.4998000000e-03 -2.1155000000e-03 -3.5094000000e-03  8.4300000000e-05 -5.8461000000e-03  3.4829000000e-03 -9.6410000000e-04  5.1220000000e-04 -6.7310000000e-04  3.1570000000e-03  4.8316000000e-03 -4.6277000000e-03 -2.5829000000e-03
+
+JOB 33
+COORDS -1.6457150000e+00 -4.5516100000e-01  6.6131000000e-02 -7.2397200000e-01 -2.1368700000e-01 -2.5039000000e-02 -1.8870180000e+00 -1.5457600000e-01  9.4228900000e-01  1.5579910000e+00  3.9483600000e-01 -1.2784800000e-01  1.8412830000e+00  5.3056000000e-01  7.7634000000e-01  2.2233600000e+00  8.3534400000e-01 -6.5649500000e-01
+ENERGY -1.526593584267e+02
+FORCES  5.3483000000e-03  2.7520000000e-03  1.6022000000e-03 -8.4585000000e-03 -2.3146000000e-03  2.1704000000e-03  1.0327000000e-03 -1.0857000000e-03 -2.7705000000e-03  6.2060000000e-03  2.9368000000e-03 -2.2270000000e-04 -2.0838000000e-03 -4.3770000000e-04 -4.0063000000e-03 -2.0448000000e-03 -1.8509000000e-03  3.2268000000e-03
+
+JOB 34
+COORDS  1.0975600000e+00 -9.8662300000e-01  7.8897000000e-01  7.2659500000e-01 -2.0651800000e-01  1.2013440000e+00  8.2436300000e-01 -1.7095520000e+00  1.3537440000e+00 -1.0113050000e+00  1.0169850000e+00 -8.1054900000e-01 -1.9549160000e+00  1.1379450000e+00 -9.1636800000e-01 -7.9779100000e-01  2.8134600000e-01 -1.3845520000e+00
+ENERGY -1.526572768872e+02
+FORCES -3.3671000000e-03  2.1644000000e-03  4.0478000000e-03  3.2478000000e-03 -4.8311000000e-03  8.1800000000e-05  8.1250000000e-04  2.7377000000e-03 -2.3885000000e-03 -1.9935000000e-03 -3.4784000000e-03 -3.8705000000e-03  3.8338000000e-03 -8.3190000000e-04  6.8580000000e-04 -2.5336000000e-03  4.2394000000e-03  1.4436000000e-03
+
+JOB 35
+COORDS  7.9079400000e-01 -1.1744300000e+00  1.0441270000e+00  1.5448060000e+00 -5.8478300000e-01  1.0478870000e+00  2.6172300000e-01 -8.8272600000e-01  3.0168200000e-01 -7.6054700000e-01  1.0848420000e+00 -9.7091200000e-01 -5.4288900000e-01  1.8299010000e+00 -1.5310410000e+00 -1.7170940000e+00  1.0503090000e+00 -9.7843400000e-01
+ENERGY -1.526587053036e+02
+FORCES -2.8230000000e-04  6.0739000000e-03 -4.5259000000e-03 -1.6741000000e-03 -2.6885000000e-03  6.5080000000e-04  2.4505000000e-03 -5.0053000000e-03  4.5188000000e-03 -3.4712000000e-03  4.5154000000e-03 -2.8052000000e-03 -1.3918000000e-03 -2.9418000000e-03  2.4576000000e-03  4.3689000000e-03  4.6400000000e-05 -2.9620000000e-04
+
+JOB 36
+COORDS  1.5914240000e+00  3.5418000000e-01  3.7470900000e-01  1.8859940000e+00  9.8745800000e-01  1.0292470000e+00  2.2550710000e+00 -3.3538300000e-01  3.9224800000e-01 -1.6936680000e+00 -3.5487900000e-01 -3.8662400000e-01 -1.0660900000e+00 -1.0208270000e+00 -6.6750000000e-01 -1.2700730000e+00  4.7756400000e-01 -5.9599700000e-01
+ENERGY -1.526563889358e+02
+FORCES  4.1732000000e-03 -1.7240000000e-04  4.0436000000e-03 -9.5170000000e-04 -2.5719000000e-03 -3.0225000000e-03 -2.9967000000e-03  2.7387000000e-03 -2.6900000000e-04  7.7018000000e-03  1.4431000000e-03 -7.3310000000e-04 -3.7234000000e-03  8.4170000000e-04  1.2560000000e-04 -4.2031000000e-03 -2.2792000000e-03 -1.4450000000e-04
+
+JOB 37
+COORDS  1.3567370000e+00 -9.3713000000e-01  4.2443500000e-01  1.5602940000e+00 -4.9894700000e-01 -4.0187800000e-01  2.1743760000e+00 -1.3664520000e+00  6.7619200000e-01 -1.4140320000e+00  9.7640600000e-01 -4.5013000000e-01 -6.9507200000e-01  8.2814600000e-01  1.6415500000e-01 -2.1308610000e+00  4.3774700000e-01 -1.1511700000e-01
+ENERGY -1.526577786932e+02
+FORCES  5.4171000000e-03 -1.5505000000e-03 -2.6197000000e-03 -9.2750000000e-04 -1.1918000000e-03  4.8546000000e-03 -3.3146000000e-03  1.6507000000e-03 -1.5688000000e-03  2.5720000000e-04 -4.1829000000e-03  5.1436000000e-03 -3.4690000000e-03  2.7052000000e-03 -4.3211000000e-03  2.0368000000e-03  2.5693000000e-03 -1.4886000000e-03
+
+JOB 38
+COORDS  4.6416400000e-01  8.9524800000e-01 -1.4447940000e+00  1.2351990000e+00  4.6156500000e-01 -1.0792030000e+00  4.5205600000e-01  1.7560910000e+00 -1.0264220000e+00 -5.1714200000e-01 -9.8313300000e-01  1.3825670000e+00 -1.1309520000e+00 -2.6666900000e-01  1.2208630000e+00  2.3294000000e-01 -5.6558600000e-01  1.8059620000e+00
+ENERGY -1.526536257361e+02
+FORCES  3.6072000000e-03  1.3710000000e-04  2.7148000000e-03 -2.5552000000e-03  3.0129000000e-03 -1.5058000000e-03 -5.5530000000e-04 -3.9176000000e-03 -8.5170000000e-04 -4.5830000000e-04  5.2068000000e-03 -6.5050000000e-04  2.2677000000e-03 -2.8879000000e-03  2.4453000000e-03 -2.3062000000e-03 -1.5512000000e-03 -2.1520000000e-03
+
+JOB 39
+COORDS  5.6721300000e-01 -1.5791630000e+00 -3.3487400000e-01  1.1969320000e+00 -1.5960200000e+00 -1.0555690000e+00  1.0350480000e+00 -1.9723680000e+00  4.0184300000e-01 -6.2011900000e-01  1.6656550000e+00  3.5016600000e-01 -1.4468400000e+00  1.1835620000e+00  3.6888900000e-01  3.4445000000e-02  1.0102950000e+00  1.0875100000e-01
+ENERGY -1.526587003683e+02
+FORCES  4.8032000000e-03 -4.8633000000e-03 -2.9630000000e-04 -2.7694000000e-03  7.3740000000e-04  3.6481000000e-03 -1.9871000000e-03  2.0665000000e-03 -3.5323000000e-03 -4.1480000000e-04 -7.3512000000e-03 -1.4746000000e-03  2.1458000000e-03  2.9289000000e-03  3.6750000000e-04 -1.7778000000e-03  6.4816000000e-03  1.2876000000e-03
+
+JOB 40
+COORDS -9.1596400000e-01 -1.1909970000e+00 -9.9427000000e-01 -3.0811500000e-01 -6.2469800000e-01 -5.1881600000e-01 -6.6904900000e-01 -2.0788790000e+00 -7.3555900000e-01  8.1923600000e-01  1.1896500000e+00  9.1124100000e-01  9.1037700000e-01  1.0071170000e+00  1.8464450000e+00  1.5574810000e+00  1.7631820000e+00  7.0560500000e-01
+ENERGY -1.526588571672e+02
+FORCES  4.2024000000e-03  9.5610000000e-04  3.7544000000e-03 -4.1501000000e-03 -6.0648000000e-03 -4.1556000000e-03 -9.1760000000e-04  3.1034000000e-03 -7.8330000000e-04  3.9766000000e-03  3.9382000000e-03  3.9547000000e-03 -1.2000000000e-05  5.9250000000e-04 -4.2861000000e-03 -3.0993000000e-03 -2.5253000000e-03  1.5160000000e-03
+
+JOB 41
+COORDS  1.2077550000e+00 -9.2127800000e-01  7.7402400000e-01  1.3226890000e+00 -1.8595180000e+00  6.2327300000e-01  1.8742200000e+00 -6.9927100000e-01  1.4242310000e+00 -1.2407290000e+00  9.3881400000e-01 -8.5020900000e-01 -2.1250750000e+00  9.8310600000e-01 -4.8661400000e-01 -6.9364600000e-01  1.3883660000e+00 -2.0613200000e-01
+ENERGY -1.526541464799e+02
+FORCES  2.9167000000e-03 -4.5052000000e-03  8.3490000000e-04 -3.2000000000e-05  3.8121000000e-03  1.2235000000e-03 -3.2992000000e-03 -1.7640000000e-04 -2.8006000000e-03  6.0540000000e-04  5.7300000000e-04  5.4119000000e-03  3.2433000000e-03 -2.1960000000e-04 -1.5735000000e-03 -3.4343000000e-03  5.1610000000e-04 -3.0961000000e-03
+
+JOB 42
+COORDS  1.2102200000e-01  1.4464620000e+00 -1.1633820000e+00 -2.4526000000e-02  7.0568400000e-01 -5.7491400000e-01  5.4161700000e-01  2.1091550000e+00 -6.1550400000e-01 -1.4384300000e-01 -1.3826540000e+00  1.1117290000e+00 -7.6681400000e-01 -2.0459470000e+00  8.1477200000e-01  6.3480000000e-01 -1.8798120000e+00  1.3622880000e+00
+ENERGY -1.526589178402e+02
+FORCES  7.7970000000e-04 -1.8742000000e-03  5.9681000000e-03  4.6230000000e-04  5.7894000000e-03 -5.2318000000e-03 -1.2810000000e-03 -2.0609000000e-03 -2.2624000000e-03  6.5340000000e-04 -6.7884000000e-03  1.2038000000e-03  2.9946000000e-03  2.9380000000e-03  1.2776000000e-03 -3.6089000000e-03  1.9961000000e-03 -9.5540000000e-04
+
+JOB 43
+COORDS -1.2712600000e+00  7.9867200000e-01  1.1190460000e+00 -1.3983870000e+00  6.4116300000e-01  1.8349100000e-01 -1.1453850000e+00 -7.2898000000e-02  1.4942170000e+00  1.2562060000e+00 -7.1858900000e-01 -1.0329210000e+00  1.2820770000e+00 -3.0882800000e-01 -1.8975930000e+00  1.5460490000e+00 -1.6181100000e+00 -1.1848560000e+00
+ENERGY -1.526551786682e+02
+FORCES  2.6645000000e-03 -5.3477000000e-03 -3.4933000000e-03 -1.5499000000e-03  1.7650000000e-03  3.5684000000e-03 -1.7587000000e-03  3.3356000000e-03 -2.4240000000e-04  2.9543000000e-03 -1.7046000000e-03 -4.4447000000e-03 -7.5430000000e-04 -1.9041000000e-03  3.7285000000e-03 -1.5559000000e-03  3.8560000000e-03  8.8350000000e-04
+
+JOB 44
+COORDS  3.4666700000e-01 -2.1864700000e-01 -1.8214780000e+00  1.1060270000e+00 -1.2866900000e-01 -1.2457100000e+00  5.9921000000e-02  6.8024200000e-01 -1.9827440000e+00 -3.3162300000e-01  1.2663000000e-01  1.7567090000e+00 -1.3937100000e-01  8.6846000000e-01  2.3302570000e+00 -1.2789230000e+00  8.4340000000e-03  1.8266000000e+00
+ENERGY -1.526548570812e+02
+FORCES  1.6515000000e-03  3.9479000000e-03  4.3886000000e-03 -1.7819000000e-03 -2.2370000000e-04 -4.2453000000e-03  9.6730000000e-04 -3.2770000000e-03 -1.7880000000e-04 -4.3462000000e-03  1.4914000000e-03  2.6071000000e-03 -4.5510000000e-04 -2.8925000000e-03 -2.9847000000e-03  3.9644000000e-03  9.5390000000e-04  4.1310000000e-04
+
+JOB 45
+COORDS -1.8236600000e-01  1.1387590000e+00  1.4020830000e+00 -4.2718000000e-01  2.0123460000e+00  1.7072770000e+00 -1.0083060000e+00  7.4009000000e-01  1.1280070000e+00  2.5175000000e-01 -1.1767950000e+00 -1.4705740000e+00  6.3162000000e-02 -1.8058020000e+00 -7.7414200000e-01  4.2347800000e-01 -3.5467000000e-01 -1.0113870000e+00
+ENERGY -1.526568843121e+02
+FORCES -4.9061000000e-03  3.6983000000e-03  2.0175000000e-03  7.4320000000e-04 -3.9080000000e-03 -1.1436000000e-03  4.6702000000e-03  1.1357000000e-03  4.1460000000e-04  1.7771000000e-03  1.3251000000e-03  5.2671000000e-03 -1.9230000000e-04  2.4065000000e-03 -2.9378000000e-03 -2.0921000000e-03 -4.6576000000e-03 -3.6178000000e-03
+
+JOB 46
+COORDS -5.8273100000e-01  2.1122900000e-01 -1.7724840000e+00 -1.2679760000e+00 -4.4893500000e-01 -1.6683010000e+00  2.2075000000e-01 -2.3176200000e-01 -1.4997020000e+00  5.8822700000e-01 -1.3578500000e-01  1.6916400000e+00 -2.7323400000e-01 -3.3690100000e-01  2.0572470000e+00  1.1975520000e+00 -2.9194500000e-01  2.4131450000e+00
+ENERGY -1.526552283687e+02
+FORCES  1.7990000000e-03 -4.2455000000e-03  3.2894000000e-03  2.1406000000e-03  2.5827000000e-03 -4.4830000000e-04 -3.5963000000e-03  1.2887000000e-03 -3.5080000000e-03 -1.5215000000e-03 -3.7920000000e-04  5.3129000000e-03  3.7741000000e-03  1.4770000000e-04 -1.4415000000e-03 -2.5960000000e-03  6.0560000000e-04 -3.2044000000e-03
+
+JOB 47
+COORDS  1.4744500000e+00 -1.0026260000e+00 -2.4011400000e-01  2.3365500000e+00 -5.9242500000e-01 -3.0903900000e-01  1.5857290000e+00 -1.8640800000e+00 -6.4228900000e-01 -1.5346470000e+00  1.0293150000e+00  3.2970000000e-01 -2.2206040000e+00  1.1793550000e+00 -3.2082500000e-01 -7.4243600000e-01  8.8114500000e-01 -1.8671100000e-01
+ENERGY -1.526564749075e+02
+FORCES  4.8034000000e-03 -3.6946000000e-03 -1.1126000000e-03 -4.0469000000e-03 -1.4876000000e-03 -4.5100000000e-05 -7.0800000000e-05  3.8015000000e-03  1.5502000000e-03  2.0495000000e-03 -1.4877000000e-03 -4.5316000000e-03  2.5417000000e-03 -6.1750000000e-04  2.4391000000e-03 -5.2769000000e-03  3.4859000000e-03  1.7000000000e-03
+
+JOB 48
+COORDS -1.3421900000e+00  1.1528450000e+00 -5.9096100000e-01 -2.1114610000e+00  1.2107540000e+00 -1.1576190000e+00 -1.6654110000e+00  7.4282600000e-01  2.1131400000e-01  1.4157730000e+00 -1.0686220000e+00  5.9134900000e-01  9.7313500000e-01 -1.7221470000e+00  1.1328360000e+00  1.6330160000e+00 -1.5336830000e+00 -2.1658400000e-01
+ENERGY -1.526531806184e+02
+FORCES -3.5997000000e-03 -1.6261000000e-03  1.9932000000e-03  3.4513000000e-03 -4.9750000000e-04  2.1280000000e-03  1.2940000000e-04  1.8381000000e-03 -3.4098000000e-03 -7.5110000000e-04 -4.0465000000e-03 -2.4182000000e-03  1.2166000000e-03  3.0311000000e-03 -1.9951000000e-03 -4.4640000000e-04  1.3010000000e-03  3.7020000000e-03
+
+JOB 49
+COORDS -1.8452690000e+00  2.5375000000e-01 -2.6113100000e-01 -1.7893810000e+00  1.0536260000e+00  2.6165700000e-01 -2.3497920000e+00 -3.5259500000e-01  2.8111900000e-01  1.8183980000e+00 -2.3395700000e-01  2.1953900000e-01  1.8935240000e+00 -1.1730470000e+00  5.0133000000e-02  2.7114690000e+00  9.8419000000e-02  1.2909100000e-01
+ENERGY -1.526533896745e+02
+FORCES -7.0400000000e-05  1.2892000000e-03  4.9158000000e-03 -1.4636000000e-03 -2.8851000000e-03 -2.2298000000e-03  1.9055000000e-03  2.0883000000e-03 -2.3615000000e-03  3.2185000000e-03 -3.0886000000e-03 -1.9784000000e-03  2.9400000000e-04  3.6826000000e-03  1.1760000000e-03 -3.8839000000e-03 -1.0863000000e-03  4.7790000000e-04
+
+JOB 50
+COORDS  1.8840480000e+00 -2.1849500000e-01  4.0233600000e-01  1.5690650000e+00  1.5066100000e-01 -4.2273400000e-01  2.5793080000e+00 -8.2378200000e-01  1.4450900000e-01 -1.8833270000e+00  3.0093100000e-01 -3.1800200000e-01 -1.3639530000e+00 -3.1245400000e-01 -8.3785000000e-01 -2.7133000000e+00 -1.5247100000e-01 -1.7034300000e-01
+ENERGY -1.526535078693e+02
+FORCES  1.9317000000e-03  2.2120000000e-04 -3.9347000000e-03  1.1084000000e-03 -2.7465000000e-03  2.8706000000e-03 -3.2544000000e-03  2.3713000000e-03  1.0865000000e-03 -1.3800000000e-03 -5.0840000000e-03 -2.6350000000e-04 -1.6616000000e-03  3.2955000000e-03  1.0215000000e-03  3.2558000000e-03  1.9425000000e-03 -7.8050000000e-04
+
+JOB 51
+COORDS  5.9807800000e-01  1.0288920000e+00  1.6331140000e+00  1.4131850000e+00  5.6857900000e-01  1.4332550000e+00 -8.7441000000e-02  4.7832400000e-01  1.2547340000e+00 -5.9088100000e-01 -9.4585300000e-01 -1.5396960000e+00 -1.3688130000e+00 -1.4623090000e+00 -1.7502330000e+00 -8.0830000000e-02 -9.3915900000e-01 -2.3496560000e+00
+ENERGY -1.526566984150e+02
+FORCES -1.1470000000e-04 -4.8470000000e-03 -4.0841000000e-03 -2.4079000000e-03  2.1345000000e-03  1.3865000000e-03  2.5935000000e-03  2.9468000000e-03  3.8803000000e-03 -1.1809000000e-03 -1.9934000000e-03 -5.4786000000e-03  3.3339000000e-03  2.1831000000e-03  9.6570000000e-04 -2.2238000000e-03 -4.2390000000e-04  3.3301000000e-03
+
+JOB 52
+COORDS -1.8830490000e+00  4.3552800000e-01 -6.1976000000e-02 -2.1216870000e+00  4.3789300000e-01 -9.8894900000e-01 -2.1860590000e+00  1.2821960000e+00  2.6600300000e-01  1.8955640000e+00 -5.4604400000e-01  9.6297000000e-02  1.2851640000e+00  1.7904600000e-01  2.3004200000e-01  2.7365120000e+00 -1.2295400000e-01 -7.7009000000e-02
+ENERGY -1.526555893271e+02
+FORCES -4.1256000000e-03  2.5509000000e-03 -2.9671000000e-03  1.0018000000e-03  4.6420000000e-04  4.1225000000e-03  2.0311000000e-03 -3.4999000000e-03 -1.4051000000e-03 -6.5460000000e-04  4.5099000000e-03  1.8600000000e-04  5.1596000000e-03 -2.4461000000e-03 -5.1880000000e-04 -3.4123000000e-03 -1.5790000000e-03  5.8240000000e-04
+
+JOB 53
+COORDS  1.4886540000e+00  1.1223480000e+00  8.1591300000e-01  7.6992700000e-01  1.0627760000e+00  1.4452880000e+00  1.0568640000e+00  1.1979410000e+00 -3.5013000000e-02 -1.4266160000e+00 -1.0637360000e+00 -8.1429600000e-01 -1.3025810000e+00 -1.4469440000e+00  5.4035000000e-02 -1.3324530000e+00 -1.8008790000e+00 -1.4176080000e+00
+ENERGY -1.526559459154e+02
+FORCES -5.4871000000e-03  1.3830000000e-04 -1.9647000000e-03  3.0482000000e-03 -1.8930000000e-04 -1.7836000000e-03  3.0011000000e-03  5.5400000000e-04  3.9758000000e-03  6.3610000000e-04 -5.7855000000e-03  6.1600000000e-04 -6.5060000000e-04  2.2276000000e-03 -3.4029000000e-03 -5.4770000000e-04  3.0549000000e-03  2.5595000000e-03
+
+JOB 54
+COORDS -6.1548000000e-02 -1.3043610000e+00  1.5302840000e+00 -8.6608700000e-01 -1.1952860000e+00  2.0372860000e+00  2.0800500000e-01 -4.1198200000e-01  1.3129540000e+00  1.2719400000e-01  1.2033510000e+00 -1.5385870000e+00 -2.7610200000e-01  1.8105850000e+00 -9.1822400000e-01 -1.6834200000e-01  1.5059970000e+00 -2.3972470000e+00
+ENERGY -1.526538418365e+02
+FORCES -1.7192000000e-03  4.1384000000e-03 -2.4520000000e-04  3.1697000000e-03 -2.7000000000e-04 -2.0026000000e-03 -1.5722000000e-03 -3.2381000000e-03  2.6515000000e-03 -3.0855000000e-03  3.5953000000e-03 -2.6223000000e-03  1.9805000000e-03 -3.2217000000e-03 -1.4499000000e-03  1.2268000000e-03 -1.0039000000e-03  3.6685000000e-03
+
+JOB 55
+COORDS -7.2818700000e-01  1.5125990000e+00 -1.1006230000e+00 -3.4407100000e-01  2.3377620000e+00 -8.0432500000e-01 -9.8936000000e-01  1.0665080000e+00 -2.9500300000e-01  6.9009900000e-01 -1.5814240000e+00  1.0755560000e+00  1.5175600000e+00 -1.1585910000e+00  1.3052350000e+00  4.2878100000e-01 -1.1667220000e+00  2.5338400000e-01
+ENERGY -1.526554465117e+02
+FORCES -8.8570000000e-04  3.3525000000e-03  4.4622000000e-03 -1.4680000000e-03 -3.6763000000e-03 -1.2973000000e-03  2.5700000000e-03  8.0710000000e-04 -4.2805000000e-03  3.5150000000e-03  2.4257000000e-03 -3.3713000000e-03 -3.6372000000e-03 -1.5768000000e-03 -5.7280000000e-04 -9.4100000000e-05 -1.3322000000e-03  5.0596000000e-03
+
+JOB 56
+COORDS  1.4944620000e+00 -7.4049400000e-01  1.2041050000e+00  1.3972130000e+00 -2.0304700000e-01  1.9901880000e+00  1.9787160000e+00 -1.8578300000e-01  5.9252900000e-01 -1.4898680000e+00  6.2626400000e-01 -1.2403710000e+00 -2.2669340000e+00  1.0882010000e+00 -1.5550360000e+00 -1.2290420000e+00  1.1040620000e+00 -4.5302700000e-01
+ENERGY -1.526536547480e+02
+FORCES  2.2305000000e-03  3.5489000000e-03  2.3940000000e-04 -1.2080000000e-04 -1.8748000000e-03 -3.5161000000e-03 -2.1162000000e-03 -1.9226000000e-03  3.0973000000e-03 -2.2029000000e-03  3.1515000000e-03  2.4776000000e-03  3.2600000000e-03 -1.9476000000e-03  1.3261000000e-03 -1.0506000000e-03 -9.5540000000e-04 -3.6242000000e-03
+
+JOB 57
+COORDS  7.9326400000e-01  8.3350000000e-01 -1.7345170000e+00  1.6668580000e+00  1.2219050000e+00 -1.7814820000e+00  6.2087900000e-01  7.4311700000e-01 -7.9731600000e-01 -7.9419600000e-01 -7.9125700000e-01  1.6655720000e+00 -7.6438500000e-01 -1.1623320000e+00  2.5474150000e+00 -1.3867180000e+00 -1.3674080000e+00  1.1826660000e+00
+ENERGY -1.526567416669e+02
+FORCES  2.4722000000e-03  9.1310000000e-04  4.6600000000e-03 -3.2692000000e-03 -1.4277000000e-03  3.6000000000e-05  1.3698000000e-03  1.1671000000e-03 -5.6797000000e-03 -2.8584000000e-03 -4.5032000000e-03  2.3206000000e-03 -3.0490000000e-04  1.3690000000e-03 -3.6490000000e-03  2.5904000000e-03  2.4818000000e-03  2.3122000000e-03
+
+JOB 58
+COORDS  1.2720070000e+00 -1.2759080000e+00  9.4981000000e-01  1.3364870000e+00 -8.1839400000e-01  1.7881150000e+00  1.0031730000e+00 -2.1648550000e+00  1.1816170000e+00 -1.3218730000e+00  1.2862140000e+00 -1.0148130000e+00 -8.8282900000e-01  2.0813340000e+00 -7.1272600000e-01 -6.3181600000e-01  6.2309100000e-01 -1.0327500000e+00
+ENERGY -1.526563960480e+02
+FORCES -6.3810000000e-04 -2.6888000000e-03  5.2432000000e-03 -1.6750000000e-04 -1.7489000000e-03 -3.6649000000e-03  1.3028000000e-03  3.7550000000e-03 -8.7220000000e-04  5.3899000000e-03 -4.6470000000e-04  1.4189000000e-03 -1.9275000000e-03 -2.7322000000e-03 -1.0495000000e-03 -3.9596000000e-03  3.8796000000e-03 -1.0754000000e-03
+
+JOB 59
+COORDS  1.7772910000e+00  9.5436600000e-01 -5.3975300000e-01  1.9260880000e+00  1.6736470000e+00 -1.1535340000e+00  1.0129890000e+00  4.9556900000e-01 -8.8843500000e-01 -1.7070470000e+00 -9.6687000000e-01  6.5332100000e-01 -2.2753340000e+00 -3.0612900000e-01  2.5746300000e-01 -1.7442650000e+00 -1.7084510000e+00  4.9249000000e-02
+ENERGY -1.526541284303e+02
+FORCES -3.0314000000e-03  4.8800000000e-04 -3.0674000000e-03 -7.7420000000e-04 -2.9041000000e-03  2.4872000000e-03  3.8593000000e-03  2.4614000000e-03 -4.7700000000e-05 -3.6876000000e-03 -9.4080000000e-04 -2.6628000000e-03  2.9939000000e-03 -2.7648000000e-03  1.1332000000e-03  6.4000000000e-04  3.6603000000e-03  2.1574000000e-03
+
+JOB 60
+COORDS  1.2892920000e+00  1.2888910000e+00 -1.0338030000e+00  8.1501200000e-01  2.0780160000e+00 -1.2956630000e+00  1.4981080000e+00  1.4297320000e+00 -1.1033600000e-01 -1.2281780000e+00 -1.3731060000e+00  1.0503720000e+00 -2.0540990000e+00 -8.9759500000e-01  1.1396800000e+00 -1.0792600000e+00 -1.4201760000e+00  1.0599900000e-01
+ENERGY -1.526553591490e+02
+FORCES -4.3580000000e-04  3.9174000000e-03  3.3686000000e-03  1.6360000000e-03 -3.3837000000e-03  1.0053000000e-03 -6.8350000000e-04 -3.6300000000e-05 -4.3044000000e-03 -2.2720000000e-03  1.6673000000e-03 -4.3121000000e-03  3.2794000000e-03 -1.7172000000e-03 -1.6840000000e-04 -1.5241000000e-03 -4.4750000000e-04  4.4110000000e-03
+
+JOB 61
+COORDS  1.9249580000e+00  2.5505800000e-01 -7.5754000000e-01  2.7846360000e+00  6.6963700000e-01 -8.3039900000e-01  2.1066680000e+00 -6.1221300000e-01 -3.9552600000e-01 -2.0016780000e+00 -2.7710200000e-01  7.7003500000e-01 -1.1038530000e+00  5.1825000000e-02  8.1418600000e-01 -2.4535510000e+00  3.3578400000e-01  1.9002400000e-01
+ENERGY -1.526561078337e+02
+FORCES  5.3223000000e-03 -2.0155000000e-03  3.1940000000e-04 -3.5387000000e-03 -1.8709000000e-03  2.9090000000e-04 -1.0126000000e-03  4.0647000000e-03 -1.1050000000e-03  2.5579000000e-03  4.3227000000e-03 -2.9357000000e-03 -4.5365000000e-03 -2.0703000000e-03  9.3090000000e-04  1.2076000000e-03 -2.4306000000e-03  2.4995000000e-03
+
+JOB 62
+COORDS -1.7583790000e+00  8.7802100000e-01  1.0325500000e+00 -1.6485170000e+00  2.6424000000e-01  3.0630300000e-01 -1.1459700000e+00  1.5883460000e+00  8.4117300000e-01  1.6764080000e+00 -8.9963200000e-01 -9.1966300000e-01  1.7902280000e+00 -8.5407000000e-02 -1.4098810000e+00  2.2065100000e+00 -1.5408520000e+00 -1.3930140000e+00
+ENERGY -1.526547751408e+02
+FORCES  3.9406000000e-03 -6.8450000000e-04 -3.6231000000e-03 -1.5781000000e-03  3.2807000000e-03  2.8091000000e-03 -2.6902000000e-03 -2.2353000000e-03  6.0140000000e-04  3.7626000000e-03 -6.3300000000e-05 -3.9308000000e-03 -1.2230000000e-03 -3.1317000000e-03  2.2504000000e-03 -2.2120000000e-03  2.8341000000e-03  1.8931000000e-03
+
+JOB 63
+COORDS -5.9042700000e-01 -5.2484100000e-01 -2.1053980000e+00  3.4670900000e-01 -3.3038800000e-01 -2.0914410000e+00 -9.7225000000e-01  8.8909000000e-02 -1.4779010000e+00  5.0340800000e-01  4.5841300000e-01  2.0310130000e+00  9.8698400000e-01 -2.9339000000e-02  2.6977100000e+00  9.5359300000e-01  1.3013890000e+00  1.9766390000e+00
+ENERGY -1.526550854710e+02
+FORCES  2.3432000000e-03  3.0306000000e-03  4.1529000000e-03 -3.4945000000e-03 -6.5520000000e-04 -8.7270000000e-04  1.1166000000e-03 -2.0245000000e-03 -3.7657000000e-03  3.8847000000e-03  8.9990000000e-04  3.6112000000e-03 -1.8744000000e-03  2.3056000000e-03 -2.7333000000e-03 -1.9756000000e-03 -3.5564000000e-03 -3.9240000000e-04
+
+JOB 64
+COORDS  8.0273700000e-01 -1.9417080000e+00  4.4874700000e-01  5.0372000000e-01 -2.7428450000e+00  1.8630000000e-02  1.7511720000e+00 -2.0482470000e+00  5.2191100000e-01 -8.1598100000e-01  2.0454160000e+00 -4.1362300000e-01 -1.7225190000e+00  1.7540870000e+00 -5.1133700000e-01 -2.9167800000e-01  1.2715300000e+00 -6.1962800000e-01
+ENERGY -1.526557476625e+02
+FORCES  3.1644000000e-03 -4.6094000000e-03 -5.8020000000e-04  1.1701000000e-03  3.5641000000e-03  1.6370000000e-03 -4.0812000000e-03  4.2050000000e-04 -5.6270000000e-04 -1.1350000000e-03 -5.4505000000e-03 -4.4840000000e-04  3.2431000000e-03  1.4934000000e-03  1.1650000000e-04 -2.3614000000e-03  4.5820000000e-03 -1.6220000000e-04
+
+JOB 65
+COORDS -1.8426380000e+00  6.6071000000e-01 -1.1994470000e+00 -2.1198440000e+00  1.5768400000e+00 -1.2091890000e+00 -1.7337770000e+00  4.5277200000e-01 -2.7147000000e-01  1.8775420000e+00 -7.3848700000e-01  1.1872630000e+00  2.1051100000e+00  1.6899900000e-01  9.8499000000e-01  1.1074150000e+00 -9.1866900000e-01  6.4812300000e-01
+ENERGY -1.526543940833e+02
+FORCES -2.0413000000e-03  3.4045000000e-03  3.4428000000e-03  1.3112000000e-03 -3.9040000000e-03  8.4300000000e-05  7.9640000000e-04  4.7960000000e-04 -4.0750000000e-03 -1.5321000000e-03  2.6726000000e-03 -3.9314000000e-03 -1.1279000000e-03 -3.6227000000e-03  1.2778000000e-03  2.5937000000e-03  9.7000000000e-04  3.2015000000e-03
+
+JOB 66
+COORDS  1.1353660000e+00 -1.1537900000e+00  1.7202430000e+00  2.2519900000e-01 -1.4112220000e+00  1.8670660000e+00  1.0836740000e+00 -2.4173700000e-01  1.4343780000e+00 -1.0710420000e+00  1.1761340000e+00 -1.7135510000e+00 -1.6037760000e+00  7.7632200000e-01 -1.0261090000e+00 -9.0067000000e-01  4.6388700000e-01 -2.3299200000e+00
+ENERGY -1.526543517714e+02
+FORCES -3.3854000000e-03  3.1088000000e-03 -3.9530000000e-04  3.4396000000e-03  1.0392000000e-03 -9.5370000000e-04 -6.9100000000e-05 -4.2889000000e-03  1.5552000000e-03 -1.8175000000e-03 -4.5912000000e-03 -7.6940000000e-04  2.6917000000e-03  1.6343000000e-03 -2.1552000000e-03 -8.5930000000e-04  3.0977000000e-03  2.7186000000e-03
+
+JOB 67
+COORDS  1.1532970000e+00 -9.6664400000e-01 -1.7500350000e+00  4.8278200000e-01 -1.4945630000e+00 -2.1835590000e+00  1.4645940000e+00 -3.6878500000e-01 -2.4296600000e+00 -1.1103530000e+00  9.7602300000e-01  1.8698540000e+00 -7.4064800000e-01  1.2280210000e+00  1.0236590000e+00 -1.9016490000e+00  4.8467000000e-01  1.6492770000e+00
+ENERGY -1.526545425394e+02
+FORCES -6.7490000000e-04 -5.1710000000e-04 -4.9684000000e-03  2.5411000000e-03  2.5038000000e-03  1.9500000000e-03 -1.6004000000e-03 -2.2874000000e-03  3.0401000000e-03 -8.3240000000e-04 -1.6425000000e-03 -4.8034000000e-03 -2.2423000000e-03 -1.2980000000e-04  3.7869000000e-03  2.8089000000e-03  2.0731000000e-03  9.9480000000e-04
+
+JOB 68
+COORDS  1.6674650000e+00 -1.4630100000e-01 -1.7653680000e+00  9.0580100000e-01  4.2435100000e-01 -1.6631090000e+00  1.6840160000e+00 -6.7027400000e-01 -9.6448700000e-01 -1.6245980000e+00  1.7195900000e-01  1.6527100000e+00 -9.6934300000e-01  2.1467500000e-01  2.3491630000e+00 -2.3423220000e+00 -3.3718900000e-01  2.0293680000e+00
+ENERGY -1.526553350464e+02
+FORCES -3.9422000000e-03  2.0890000000e-04  3.9226000000e-03  3.7259000000e-03 -2.0987000000e-03 -9.7200000000e-04  6.6830000000e-04  1.9144000000e-03 -3.1714000000e-03 -1.1485000000e-03 -1.7827000000e-03  4.9547000000e-03 -2.4127000000e-03 -3.6640000000e-04 -3.2757000000e-03  3.1091000000e-03  2.1245000000e-03 -1.4583000000e-03
+
+JOB 69
+COORDS  9.3256500000e-01  1.1284110000e+00  1.9954630000e+00  1.0199100000e+00  1.4160920000e+00  1.0867040000e+00  8.7615000000e-02  1.4784820000e+00  2.2778510000e+00 -8.7302500000e-01 -1.1461200000e+00 -2.0205280000e+00 -1.5944600000e+00 -7.8001800000e-01 -1.5089310000e+00 -4.8989600000e-01 -1.8137190000e+00 -1.4515330000e+00
+ENERGY -1.526546836851e+02
+FORCES -2.5951000000e-03  3.1197000000e-03 -2.6118000000e-03 -5.7800000000e-04 -1.2870000000e-03  4.1176000000e-03  3.2615000000e-03 -1.7072000000e-03 -1.2528000000e-03 -1.4369000000e-03 -1.9367000000e-03  4.4297000000e-03  3.0336000000e-03 -1.0516000000e-03 -2.0945000000e-03 -1.6851000000e-03  2.8627000000e-03 -2.5883000000e-03
+
+JOB 70
+COORDS -1.2623740000e+00  7.9620900000e-01 -1.9387430000e+00 -2.0028080000e+00  4.5446000000e-01 -2.4399380000e+00 -1.5861470000e+00  8.5130100000e-01 -1.0396510000e+00  1.3570500000e+00 -8.0187600000e-01  1.8760330000e+00  1.6097730000e+00 -4.9503000000e-01  2.7467850000e+00  4.0739900000e-01 -6.8550300000e-01  1.8468330000e+00
+ENERGY -1.526531783326e+02
+FORCES -4.1621000000e-03 -1.1722000000e-03  1.3346000000e-03  3.0620000000e-03  1.4476000000e-03  2.1446000000e-03  1.2841000000e-03 -4.1560000000e-04 -3.2715000000e-03 -2.5900000000e-03  1.7227000000e-03  3.2504000000e-03 -1.1013000000e-03 -1.2844000000e-03 -3.6219000000e-03  3.5073000000e-03 -2.9800000000e-04  1.6380000000e-04
+
+JOB 71
+COORDS -3.0153000000e-01  2.1497390000e+00 -1.1409580000e+00  2.0638500000e-01  2.0730400000e+00 -3.3326300000e-01 -1.0779100000e-01  3.0298430000e+00 -1.4636250000e+00  2.5172500000e-01 -2.1759270000e+00  1.0555720000e+00 -3.4980200000e-01 -2.2016250000e+00  1.7997070000e+00  1.0865050000e+00 -2.4807920000e+00  1.4111430000e+00
+ENERGY -1.526538293608e+02
+FORCES  3.0267000000e-03  2.5573000000e-03  2.1501000000e-03 -2.0990000000e-03  1.1066000000e-03 -3.2881000000e-03 -8.1090000000e-04 -3.5738000000e-03  1.2858000000e-03  6.1700000000e-04 -1.7886000000e-03  4.2729000000e-03  2.6576000000e-03  2.2260000000e-04 -2.9761000000e-03 -3.3913000000e-03  1.4760000000e-03 -1.4444000000e-03
+
+JOB 72
+COORDS -1.8662180000e+00  6.5461700000e-01 -1.5808750000e+00 -1.5257480000e+00 -3.0804000000e-02 -2.1557750000e+00 -2.6764800000e+00  9.4090100000e-01 -2.0024770000e+00  1.8927160000e+00 -6.7219500000e-01  1.6890050000e+00  1.1115660000e+00 -3.0836800000e-01  1.2722730000e+00  2.6216360000e+00 -3.3526100000e-01  1.1680610000e+00
+ENERGY -1.526550829755e+02
+FORCES -2.6234000000e-03 -1.4904000000e-03 -4.3211000000e-03 -1.0998000000e-03  2.9079000000e-03  2.5782000000e-03  3.3804000000e-03 -1.2400000000e-03  1.5924000000e-03 -7.1080000000e-04  3.2604000000e-03 -3.7715000000e-03  3.8053000000e-03 -1.9222000000e-03  1.8783000000e-03 -2.7517000000e-03 -1.5158000000e-03  2.0437000000e-03
+
+JOB 73
+COORDS -1.4194650000e+00 -1.7418720000e+00 -1.2916980000e+00 -9.0309900000e-01 -1.4493240000e+00 -2.0427060000e+00 -1.8197180000e+00 -2.5620090000e+00 -1.5804960000e+00  1.4032830000e+00  1.8165170000e+00  1.3958160000e+00  1.9252390000e+00  1.8711890000e+00  5.9531300000e-01  1.0148840000e+00  9.4204400000e-01  1.3698060000e+00
+ENERGY -1.526546229622e+02
+FORCES -1.6490000000e-04 -2.4299000000e-03 -4.5038000000e-03 -1.7773000000e-03 -1.0943000000e-03  3.3472000000e-03  1.7308000000e-03  3.4040000000e-03  1.1157000000e-03  2.6700000000e-05 -3.6580000000e-03 -3.3055000000e-03 -1.9623000000e-03 -1.2770000000e-04  3.0985000000e-03  2.1470000000e-03  3.9060000000e-03  2.4790000000e-04
+
+JOB 74
+COORDS -2.1971390000e+00 -1.1805560000e+00 -1.0302330000e+00 -1.9701060000e+00 -9.4145600000e-01 -1.3161200000e-01 -3.0699340000e+00 -1.5676650000e+00 -9.6235600000e-01  2.2642310000e+00  1.2138730000e+00  9.2166400000e-01  2.1518490000e+00  1.5869410000e+00  1.7959760000e+00  1.8179910000e+00  3.6803900000e-01  9.6248300000e-01
+ENERGY -1.526536019066e+02
+FORCES -2.9891000000e-03 -4.4460000000e-04  3.6807000000e-03 -4.9800000000e-04 -1.1399000000e-03 -3.4584000000e-03  3.6478000000e-03  1.5939000000e-03 -2.3720000000e-04 -1.9964000000e-03 -1.9668000000e-03  3.4329000000e-03  3.0390000000e-04 -1.5960000000e-03 -3.5903000000e-03  1.5319000000e-03  3.5534000000e-03  1.7220000000e-04
+
+JOB 75
+COORDS  2.6006790000e+00 -4.6331000000e-01  7.8992600000e-01  3.3604530000e+00 -6.0426900000e-01  1.3548210000e+00  2.4798100000e+00 -1.2981470000e+00  3.3752300000e-01 -2.6629060000e+00  5.5024500000e-01 -8.5338800000e-01 -2.3265830000e+00  1.0000920000e+00 -7.8303000000e-02 -2.6366810000e+00 -3.7826000000e-01 -6.2225200000e-01
+ENERGY -1.526543731847e+02
+FORCES  2.9846000000e-03 -3.9032000000e-03  2.1280000000e-04 -3.1803000000e-03  5.4780000000e-04 -2.2849000000e-03  3.0400000000e-04  3.3578000000e-03  2.0424000000e-03  1.9798000000e-03 -1.7451000000e-03  4.2582000000e-03 -1.8291000000e-03 -1.8248000000e-03 -3.1698000000e-03 -2.5910000000e-04  3.5677000000e-03 -1.0587000000e-03
+
+JOB 76
+COORDS -2.7904180000e+00 -3.3932600000e-01  1.8273600000e-01 -3.0434900000e+00  3.8203400000e-01  7.5878000000e-01 -3.4952220000e+00 -9.8013700000e-01  2.7678000000e-01  2.8786080000e+00  3.5838900000e-01 -2.5689500000e-01  2.0884390000e+00 -1.4452200000e-01 -4.5424100000e-01  2.8828550000e+00  4.3405400000e-01  6.9730100000e-01
+ENERGY -1.526547687826e+02
+FORCES -4.3511000000e-03  4.2500000000e-04  2.5588000000e-03  1.1742000000e-03 -3.0514000000e-03 -2.2670000000e-03  2.9429000000e-03  2.6362000000e-03 -3.1810000000e-04 -3.6914000000e-03 -1.8270000000e-03  2.9300000000e-03  3.7479000000e-03  2.0305000000e-03  8.2420000000e-04  1.7750000000e-04 -2.1330000000e-04 -3.7279000000e-03
+
+JOB 77
+COORDS -1.7525400000e-01 -1.2086820000e+00  2.6437410000e+00 -1.6906500000e-01 -2.5405800000e-01  2.5738450000e+00  4.9456800000e-01 -1.4057180000e+00  3.2985280000e+00  1.4531100000e-01  1.2182490000e+00 -2.6593660000e+00  6.5178300000e-01  4.2772400000e-01 -2.4728510000e+00 -5.6341900000e-01  9.2023700000e-01 -3.2295610000e+00
+ENERGY -1.526545926683e+02
+FORCES  2.6169000000e-03  3.3171000000e-03  2.4801000000e-03  5.2900000000e-05 -4.0941000000e-03  4.0050000000e-04 -2.6878000000e-03  7.4760000000e-04 -2.7112000000e-03 -9.4890000000e-04 -4.6938000000e-03 -1.5487000000e-03 -1.9382000000e-03  3.4175000000e-03 -8.4910000000e-04  2.9051000000e-03  1.3057000000e-03  2.2283000000e-03
+
+JOB 78
+COORDS  3.1790000000e-02 -1.4003610000e+00  2.6315860000e+00 -8.4147900000e-01 -1.3911570000e+00  3.0234370000e+00  4.2374000000e-02 -2.1877740000e+00  2.0874350000e+00  6.0250000000e-03  1.4913920000e+00 -2.5761100000e+00  6.2519600000e-01  7.6799700000e-01 -2.4783430000e+00 -3.7412800000e-01  1.3660510000e+00 -3.4455960000e+00
+ENERGY -1.526538854903e+02
+FORCES -3.7531000000e-03 -2.9039000000e-03 -6.0640000000e-04  3.6160000000e-03 -1.9580000000e-04 -1.5133000000e-03  9.0000000000e-05  3.1617000000e-03  2.1082000000e-03  1.1749000000e-03 -3.4064000000e-03 -2.8878000000e-03 -2.6119000000e-03  2.8695000000e-03 -6.6520000000e-04  1.4841000000e-03  4.7480000000e-04  3.5644000000e-03
+
+JOB 79
+COORDS -9.5853000000e-02 -1.6456360000e+00  2.5166260000e+00 -6.3602300000e-01 -8.5905900000e-01  2.4408350000e+00  6.4064400000e-01 -1.3788930000e+00  3.0667640000e+00  6.7106000000e-02  1.5193950000e+00 -2.5353940000e+00 -2.5513300000e-01  2.1502370000e+00 -3.1791580000e+00  6.9727800000e-01  2.0128730000e+00 -2.0104240000e+00
+ENERGY -1.526538456634e+02
+FORCES  6.6090000000e-04  4.2945000000e-03  1.5703000000e-03  2.2810000000e-03 -3.1766000000e-03  6.2720000000e-04 -2.9519000000e-03 -1.0483000000e-03 -2.2070000000e-03  1.3831000000e-03  4.4371000000e-03 -6.9460000000e-04  1.3025000000e-03 -2.5697000000e-03  2.7000000000e-03 -2.6756000000e-03 -1.9369000000e-03 -1.9958000000e-03
+
+JOB 80
+COORDS  3.7047200000e-01 -6.7756500000e-01 -2.9461210000e+00 -2.1657200000e-01 -5.1984000000e-02 -3.3706900000e+00  8.6591500000e-01 -1.0683380000e+00 -3.6658880000e+00 -3.2079100000e-01  6.2093900000e-01  3.0478830000e+00 -1.7289600000e-01  1.0791100000e+00  2.2205760000e+00 -1.2098030000e+00  8.6740100000e-01  3.3031180000e+00
+ENERGY -1.526541228219e+02
+FORCES -2.4500000000e-04  6.5310000000e-04 -4.8036000000e-03  2.3676000000e-03 -2.4258000000e-03  1.9033000000e-03 -2.0754000000e-03  1.6676000000e-03  2.9043000000e-03 -2.8929000000e-03  2.5910000000e-03 -2.7379000000e-03 -7.2050000000e-04 -1.5509000000e-03  3.6822000000e-03  3.5662000000e-03 -9.3500000000e-04 -9.4820000000e-04
+
+JOB 81
+COORDS -1.9404950000e+00  1.8996690000e+00  1.7234360000e+00 -2.0221710000e+00  2.2104920000e+00  2.6250740000e+00 -2.4687060000e+00  1.1018830000e+00  1.6958330000e+00  2.0380090000e+00 -1.8651950000e+00 -1.7610950000e+00  1.4343740000e+00 -2.3879740000e+00 -1.2333070000e+00  1.4861900000e+00 -1.4700670000e+00 -2.4360780000e+00
+ENERGY -1.526539679072e+02
+FORCES -2.3881000000e-03 -1.8230000000e-03  3.7382000000e-03  2.6800000000e-04 -1.3035000000e-03 -3.7093000000e-03  2.1869000000e-03  3.1412000000e-03 -3.0700000000e-05 -4.7700000000e-03 -1.5280000000e-04 -4.8230000000e-04  2.4372000000e-03  1.9480000000e-03 -2.1605000000e-03  2.2659000000e-03 -1.8099000000e-03  2.6445000000e-03
+
+JOB 82
+COORDS  1.1344070000e+00  2.5833390000e+00  1.6377520000e+00  2.0699860000e+00  2.6637240000e+00  1.8233930000e+00  8.2237100000e-01  3.4865200000e+00  1.5818140000e+00 -1.2039130000e+00 -2.6353410000e+00 -1.6988860000e+00 -5.1221700000e-01 -3.2590190000e+00 -1.4779450000e+00 -1.2880520000e+00 -2.0845960000e+00 -9.2053300000e-01
+ENERGY -1.526544717523e+02
+FORCES  2.5693000000e-03  4.2092000000e-03  4.6220000000e-04 -3.8242000000e-03 -3.9380000000e-04 -7.2980000000e-04  1.2915000000e-03 -3.7077000000e-03  2.7810000000e-04  2.5879000000e-03  4.0600000000e-05  4.2222000000e-03 -2.8037000000e-03  2.3779000000e-03 -9.6780000000e-04  1.7910000000e-04 -2.5262000000e-03 -3.2649000000e-03
+
+JOB 83
+COORDS -1.4027070000e+00 -2.6903780000e+00 -1.4618310000e+00 -1.9067880000e+00 -3.4888510000e+00 -1.3050670000e+00 -1.4601490000e+00 -2.5520300000e+00 -2.4072370000e+00  1.4871510000e+00  2.7199030000e+00  1.5377130000e+00  1.4027720000e+00  2.9971260000e+00  6.2543000000e-01  5.9123800000e-01  2.5262800000e+00  1.8135440000e+00
+ENERGY -1.526541803175e+02
+FORCES -2.1784000000e-03 -2.9013000000e-03 -3.2067000000e-03  2.0160000000e-03  3.3072000000e-03 -6.5640000000e-04  1.9610000000e-04 -4.5620000000e-04  3.8734000000e-03 -4.1041000000e-03 -8.6200000000e-05 -2.7077000000e-03  4.1150000000e-04 -9.1330000000e-04  3.6986000000e-03  3.6590000000e-03  1.0498000000e-03 -1.0012000000e-03
+
+JOB 84
+COORDS -3.2905280000e+00 -8.5351000000e-02 -1.3925250000e+00 -3.1279570000e+00 -1.0257840000e+00 -1.3191170000e+00 -2.6714530000e+00  2.1395600000e-01 -2.0584020000e+00  3.2391320000e+00  1.3993500000e-01  1.4892420000e+00  3.8172660000e+00  4.4912300000e-01  7.9182200000e-01  2.7812700000e+00 -6.0879100000e-01  1.1071370000e+00
+ENERGY -1.526538114827e+02
+FORCES  3.0717000000e-03 -2.5229000000e-03 -2.3695000000e-03 -5.6130000000e-04  3.8322000000e-03 -3.1860000000e-04 -2.4602000000e-03 -1.3030000000e-03  2.7135000000e-03  4.8830000000e-04 -1.7290000000e-03 -4.2869000000e-03 -2.4032000000e-03 -1.2987000000e-03  2.8042000000e-03  1.8648000000e-03  3.0213000000e-03  1.4572000000e-03
+
+JOB 85
+COORDS  2.5321200000e+00 -1.6732380000e+00  1.8338810000e+00  1.6418080000e+00 -1.9547470000e+00  2.0444290000e+00  3.0038270000e+00 -1.7274370000e+00  2.6650170000e+00 -2.4561250000e+00  1.7010420000e+00 -1.8893310000e+00 -3.0210680000e+00  2.0254130000e+00 -2.5906550000e+00 -3.0352780000e+00  1.1736440000e+00 -1.3391820000e+00
+ENERGY -1.526537929479e+02
+FORCES -1.7773000000e-03 -1.2050000000e-03  4.1430000000e-03  3.6286000000e-03  1.0404000000e-03 -7.8060000000e-04 -1.9112000000e-03  1.8760000000e-04 -3.3819000000e-03 -4.5680000000e-03 -8.2810000000e-04 -6.8390000000e-04  2.2871000000e-03 -1.3200000000e-03  2.8852000000e-03  2.3408000000e-03  2.1251000000e-03 -2.1818000000e-03
+
+JOB 86
+COORDS -2.1916120000e+00 -2.7088710000e+00 -1.0200810000e+00 -2.3803000000e+00 -1.9577230000e+00 -1.5825800000e+00 -2.2561980000e+00 -2.3640030000e+00 -1.2950400000e-01  2.2101060000e+00  2.5828320000e+00  9.6840000000e-01  1.6030060000e+00  3.2885020000e+00  7.4548200000e-01  2.7357420000e+00  2.9362260000e+00  1.6860710000e+00
+ENERGY -1.526541001815e+02
+FORCES -6.9550000000e-04  4.5924000000e-03  1.3971000000e-03  5.9720000000e-04 -3.0849000000e-03  2.2333000000e-03  5.2200000000e-05 -1.4770000000e-03 -3.6231000000e-03 -9.3800000000e-05  4.3679000000e-03  2.0214000000e-03  2.3501000000e-03 -2.9636000000e-03  9.0210000000e-04 -2.2102000000e-03 -1.4347000000e-03 -2.9309000000e-03
+
+JOB 87
+COORDS  1.7780910000e+00  3.3210230000e+00 -2.2959860000e+00  2.1747810000e+00  3.0128240000e+00 -3.1107750000e+00  2.0398080000e+00  4.2396670000e+00 -2.2341150000e+00 -1.8265050000e+00 -3.3343350000e+00  2.2835390000e+00 -2.0517400000e+00 -4.1994210000e+00  2.6257780000e+00 -1.3926060000e+00 -2.8929110000e+00  3.0136810000e+00
+ENERGY -1.526539551426e+02
+FORCES  2.6234000000e-03  2.4088000000e-03 -3.1059000000e-03 -1.5821000000e-03  1.3037000000e-03  3.3261000000e-03 -1.0549000000e-03 -3.7361000000e-03 -2.2780000000e-04  9.1180000000e-04 -1.5956000000e-03  4.3387000000e-03  9.0560000000e-04  3.5022000000e-03 -1.4048000000e-03 -1.8037000000e-03 -1.8830000000e-03 -2.9263000000e-03
+
+JOB 88
+COORDS  3.5515300000e+00  2.8684320000e+00 -1.4830750000e+00  3.2006090000e+00  3.5779790000e+00 -9.4490300000e-01  4.4405410000e+00  3.1490480000e+00 -1.7002050000e+00 -3.5943500000e+00 -2.8990200000e+00  1.5254700000e+00 -3.4741600000e+00 -3.8164890000e+00  1.2804430000e+00 -3.5359550000e+00 -2.4201880000e+00  6.9870400000e-01
+ENERGY -1.526541509421e+02
+FORCES  2.2116000000e-03  4.0470000000e-03  1.3695000000e-03  1.4267000000e-03 -2.8896000000e-03 -2.2298000000e-03 -3.6274000000e-03 -1.1477000000e-03  8.6610000000e-04  8.3700000000e-04 -1.7543000000e-03 -4.4137000000e-03 -5.3190000000e-04  3.7123000000e-03  1.0190000000e-03 -3.1610000000e-04 -1.9677000000e-03  3.3890000000e-03
+
+JOB 89
+COORDS -2.6578510000e+00 -6.1189600000e-01 -4.1791080000e+00 -2.1315670000e+00  7.1902000000e-02 -4.5934480000e+00 -3.1059430000e+00 -1.0436810000e+00 -4.9064370000e+00  2.6064390000e+00  5.5773500000e-01  4.2627950000e+00  2.5271540000e+00  1.4465840000e+00  3.9165390000e+00  3.5491760000e+00  3.9439800000e-01  4.2910680000e+00
+ENERGY -1.526539782957e+02
+FORCES  3.1360000000e-04  9.9440000000e-04 -4.6274000000e-03 -2.1399000000e-03 -2.7718000000e-03  1.6847000000e-03  1.8319000000e-03  1.7738000000e-03  2.9582000000e-03  3.4605000000e-03  2.9330000000e-03 -1.3618000000e-03  3.6260000000e-04 -3.6040000000e-03  1.4435000000e-03 -3.8288000000e-03  6.7460000000e-04 -9.7300000000e-05
+
+JOB 0
+COORDS -1.7087100000e-01 -1.1513360000e+00  4.3649000000e-01 -6.8956900000e-01 -9.7101400000e-01  1.2204980000e+00  4.5111600000e-01 -1.8255210000e+00  7.1005700000e-01  9.4126000000e-02  1.2116770000e+00 -4.9832900000e-01  8.9872600000e-01  1.6895220000e+00 -6.9961200000e-01  3.8767900000e-01  3.2515600000e-01 -2.8823300000e-01
+ENERGY -1.526574195364e+02
+FORCES -1.9759000000e-03  1.0410200000e-02  6.3310000000e-04  3.5000000000e-03 -3.1314000000e-03 -3.3365000000e-03 -2.2236000000e-03  5.1321000000e-03 -1.3193000000e-03 -1.2407000000e-03 -1.6224500000e-02  5.3790000000e-03 -1.3406000000e-03 -4.7220000000e-03  1.6866000000e-03  3.2809000000e-03  8.5357000000e-03 -3.0429000000e-03
+
+JOB 1
+COORDS  7.2037000000e-01 -7.1490700000e-01  7.6272900000e-01  1.5916760000e+00 -7.6331800000e-01  3.6939000000e-01  4.2168000000e-01 -1.6236680000e+00  7.9694800000e-01 -8.1107600000e-01  7.9659500000e-01 -7.3749600000e-01 -2.6420100000e-01  4.4042600000e-01 -3.7279000000e-02 -3.0840300000e-01  6.4130100000e-01 -1.5371430000e+00
+ENERGY -1.526569499185e+02
+FORCES -6.5940000000e-03  2.1197000000e-03 -8.2474000000e-03 -5.4691000000e-03  5.8800000000e-05  5.7560000000e-04  3.3481000000e-03  4.1601000000e-03 -4.6110000000e-04  1.3003400000e-02 -1.2358800000e-02  9.9625000000e-03 -3.6824000000e-03  5.9441000000e-03 -3.7794000000e-03 -6.0590000000e-04  7.6200000000e-05  1.9498000000e-03
+
+JOB 2
+COORDS  6.3685500000e-01 -1.1995590000e+00 -1.4802600000e-01  4.4716800000e-01 -1.4343460000e+00 -1.0563900000e+00  4.1380000000e-03 -5.1185000000e-01  5.9237000000e-02 -6.3900100000e-01  1.1279490000e+00  1.6483600000e-01 -2.6517100000e-01  1.1930890000e+00  1.0436080000e+00 -2.0699300000e-01  1.8228570000e+00 -3.3185600000e-01
+ENERGY -1.526575905302e+02
+FORCES -1.0438200000e-02  1.4345600000e-02 -2.2416000000e-03  7.9750000000e-04  1.2158000000e-03  2.1209000000e-03  4.5186000000e-03 -6.5311000000e-03  5.4924000000e-03  9.0752000000e-03 -2.6870000000e-03 -2.3069000000e-03 -1.2812000000e-03 -3.8474000000e-03 -6.2410000000e-03 -2.6720000000e-03 -2.4959000000e-03  3.1762000000e-03
+
+JOB 3
+COORDS  5.7139500000e-01 -5.0197900000e-01  1.0647140000e+00  1.5168800000e+00 -3.6228000000e-01  1.0120410000e+00  3.1829700000e-01 -1.1701500000e-01  1.9037460000e+00 -6.5337200000e-01  4.5283800000e-01 -1.1527650000e+00 -2.2890400000e-01  1.3090510000e+00 -1.0983840000e+00 -2.6797800000e-01 -5.1998000000e-02 -4.3663500000e-01
+ENERGY -1.526592155177e+02
+FORCES -1.7227000000e-03  4.5413000000e-03 -2.2969000000e-03 -5.3869000000e-03  6.2930000000e-04  4.2500000000e-04  2.8774000000e-03 -1.5034000000e-03 -4.1147000000e-03  8.2080000000e-03 -3.6438000000e-03  1.4145300000e-02 -7.4940000000e-04 -1.9150000000e-03 -1.6320000000e-04 -3.2264000000e-03  1.8917000000e-03 -7.9954000000e-03
+
+JOB 4
+COORDS  2.1306800000e-01 -1.1225710000e+00  6.5981400000e-01 -5.6387000000e-01 -1.4833360000e+00  2.3267500000e-01  5.1762500000e-01 -1.8237460000e+00  1.2358610000e+00 -1.7856200000e-01  1.2102020000e+00 -7.2112300000e-01  2.3215500000e-01  3.9929000000e-01 -4.2118300000e-01 -8.0311500000e-01  1.4325400000e+00 -3.0666000000e-02
+ENERGY -1.526589609187e+02
+FORCES -4.6030000000e-04  2.2650000000e-04 -1.0341000000e-03  4.7647000000e-03  2.9347000000e-03  2.1951000000e-03 -3.3853000000e-03  2.5586000000e-03 -2.7257000000e-03  2.7839000000e-03 -7.9163000000e-03  9.9977000000e-03 -4.1102000000e-03  2.4787000000e-03 -5.5875000000e-03  4.0720000000e-04 -2.8220000000e-04 -2.8455000000e-03
+
+JOB 5
+COORDS -1.5174700000e-01  8.7495700000e-01  1.0624620000e+00  6.6693700000e-01  1.3686910000e+00  1.1095410000e+00 -7.8649100000e-01  1.4175830000e+00  1.5303170000e+00  1.4380400000e-01 -9.3826300000e-01 -1.1507710000e+00 -3.7856700000e-01 -2.4185400000e-01 -7.5280700000e-01  6.3209300000e-01 -1.3189980000e+00 -4.2080800000e-01
+ENERGY -1.526596751809e+02
+FORCES  2.1692000000e-03  3.1981000000e-03  1.2319000000e-03 -4.2201000000e-03 -2.3997000000e-03  5.6210000000e-04  3.2385000000e-03 -2.2846000000e-03 -2.7389000000e-03 -1.3750000000e-03  5.2405000000e-03  1.0791100000e-02 -2.0740000000e-04 -3.4051000000e-03 -6.4121000000e-03  3.9480000000e-04 -3.4910000000e-04 -3.4342000000e-03
+
+JOB 6
+COORDS  2.1065500000e-01  1.4007290000e+00  5.3336500000e-01  9.2823000000e-02  6.5516300000e-01 -5.5259000000e-02 -3.2980100000e-01  1.1925690000e+00  1.2954740000e+00 -1.8109800000e-01 -1.2700850000e+00 -5.1874300000e-01 -1.1961600000e-01 -2.0674690000e+00  7.2140000000e-03 -6.3688000000e-02 -1.5679520000e+00 -1.4208090000e+00
+ENERGY -1.526602695980e+02
+FORCES -3.4814000000e-03 -1.0689200000e-02 -1.6093000000e-03  1.1963000000e-03  8.4856000000e-03  6.5720000000e-04  1.8425000000e-03  1.1777000000e-03 -1.2865000000e-03  1.5612000000e-03 -3.0404000000e-03  1.0316000000e-03 -8.1930000000e-04  2.7878000000e-03 -3.3981000000e-03 -2.9940000000e-04  1.2785000000e-03  4.6051000000e-03
+
+JOB 7
+COORDS  3.1743500000e-01  1.2674380000e+00  7.0864500000e-01  1.5258400000e-01  8.6574200000e-01  1.5616960000e+00 -4.1180400000e-01  9.7617600000e-01  1.6127900000e-01 -2.9093000000e-01 -1.2570520000e+00 -7.8145500000e-01  5.8329100000e-01 -1.2931310000e+00 -3.9329400000e-01 -8.1762500000e-01 -7.7700200000e-01 -1.4241200000e-01
+ENERGY -1.526502514515e+02
+FORCES -3.6080000000e-03 -2.4104000000e-03 -1.1809000000e-03  6.2140000000e-04 -1.7470000000e-04 -5.3735000000e-03  7.0650000000e-04 -4.1580000000e-03  4.3760000000e-03  5.5851000000e-03  3.7730000000e-03  6.0821000000e-03 -4.2771000000e-03 -2.1333000000e-03 -1.9409000000e-03  9.7210000000e-04  5.1034000000e-03 -1.9629000000e-03
+
+JOB 8
+COORDS -5.8620400000e-01  4.3895000000e-02 -1.4039150000e+00 -6.0640100000e-01  5.4792000000e-02 -4.4699000000e-01  2.9019200000e-01  3.5612200000e-01 -1.6290290000e+00  5.7582900000e-01 -4.7301000000e-02  1.3224030000e+00  1.3537000000e-01  4.8513600000e-01  1.9847760000e+00  2.0448000000e-01 -9.2266000000e-01  1.4323010000e+00
+ENERGY -1.526589398781e+02
+FORCES  7.8289000000e-03  2.3860000000e-03  8.5170000000e-03 -5.8709000000e-03 -2.4087000000e-03 -4.7624000000e-03 -3.1212000000e-03 -9.2450000000e-04 -1.5780000000e-03 -1.2920000000e-04 -2.1697000000e-03  4.6861000000e-03  1.1784000000e-03 -2.8997000000e-03 -4.5710000000e-03  1.1400000000e-04  6.0166000000e-03 -2.2918000000e-03
+
+JOB 9
+COORDS -1.1010320000e+00  5.5834600000e-01  6.9273800000e-01 -1.8464430000e+00  7.8606300000e-01  1.2483810000e+00 -1.1145870000e+00  1.2117320000e+00 -6.6440000000e-03  1.1460370000e+00 -6.0269800000e-01 -7.4761400000e-01  4.0245400000e-01 -4.8440300000e-01 -1.5658000000e-01  1.8646800000e+00 -8.7600500000e-01 -1.7745000000e-01
+ENERGY -1.526610975188e+02
+FORCES -2.7382000000e-03  2.8941000000e-03 -2.3870000000e-04  3.0173000000e-03  6.3790000000e-04 -3.0114000000e-03 -4.3490000000e-04 -3.9692000000e-03  3.9828000000e-03 -3.6920000000e-03  4.6070000000e-04  7.3280000000e-03  6.2164000000e-03 -7.2560000000e-04 -6.3798000000e-03 -2.3686000000e-03  7.0210000000e-04 -1.6809000000e-03
+
+JOB 10
+COORDS  8.0761400000e-01  1.6845900000e-01 -1.2410430000e+00  4.6541800000e-01  7.0880400000e-01 -5.2889000000e-01  7.7326400000e-01  7.3622700000e-01 -2.0109070000e+00 -7.9676000000e-01 -1.8585400000e-01  1.2021120000e+00 -1.3967470000e+00 -5.5794100000e-01  1.8484860000e+00  1.8818000000e-02 -6.7186800000e-01  1.3239940000e+00
+ENERGY -1.526575925251e+02
+FORCES -4.7942000000e-03  4.0274000000e-03  1.3015000000e-03  5.8436000000e-03 -2.0536000000e-03 -3.5908000000e-03 -3.2220000000e-04 -1.8989000000e-03  2.9138000000e-03  1.9050000000e-04 -5.0822000000e-03  1.7579000000e-03  2.7204000000e-03  6.9590000000e-04 -2.6563000000e-03 -3.6380000000e-03  4.3114000000e-03  2.7380000000e-04
+
+JOB 11
+COORDS  7.4066100000e-01 -1.3080140000e+00  1.7146000000e-02  9.0972400000e-01 -3.9115700000e-01 -1.9970000000e-01  1.5331280000e+00 -1.5977990000e+00  4.6908900000e-01 -8.0962500000e-01  1.2539450000e+00 -9.2047000000e-02 -7.9479700000e-01  2.1595330000e+00  2.1766500000e-01 -5.5615600000e-01  7.3505600000e-01  6.7132700000e-01
+ENERGY -1.526572991411e+02
+FORCES  3.7737000000e-03  2.3586000000e-03 -2.8892000000e-03 -6.5710000000e-04 -5.2421000000e-03  5.8460000000e-03 -3.6074000000e-03  2.1484000000e-03 -1.5899000000e-03 -2.4134000000e-03  5.2520000000e-04  4.9159000000e-03  4.1810000000e-04 -4.4426000000e-03 -9.6500000000e-04  2.4860000000e-03  4.6525000000e-03 -5.3178000000e-03
+
+JOB 12
+COORDS  3.7805800000e-01 -9.0875500000e-01  1.1196910000e+00  4.9157000000e-01 -1.7937890000e+00  7.7319000000e-01 -3.3448400000e-01 -9.8885100000e-01  1.7538050000e+00 -3.6486000000e-01  1.0279360000e+00 -1.1371380000e+00 -1.0898000000e-02  5.4280200000e-01 -1.8825150000e+00 -3.2183900000e-01  4.1070500000e-01 -4.0679100000e-01
+ENERGY -1.526600630161e+02
+FORCES -3.8920000000e-04 -5.4217000000e-03  3.6871000000e-03 -1.0970000000e-03  4.7742000000e-03  1.0791000000e-03  3.2016000000e-03  6.1690000000e-04 -4.2854000000e-03  4.0366000000e-03 -6.8250000000e-03  4.4628000000e-03 -1.2934000000e-03  1.2757000000e-03  2.1514000000e-03 -4.4587000000e-03  5.5799000000e-03 -7.0950000000e-03
+
+JOB 13
+COORDS  4.5425800000e-01  1.0260970000e+00  1.1188570000e+00 -1.9623400000e-01  1.0639120000e+00  4.1767100000e-01  1.2912970000e+00  9.2934000000e-01  6.6472700000e-01 -4.1532900000e-01 -1.0750540000e+00 -1.0393560000e+00 -1.1812380000e+00 -8.0111700000e-01 -5.3480300000e-01 -4.0277200000e-01 -4.8725500000e-01 -1.7947140000e+00
+ENERGY -1.526527877529e+02
+FORCES  2.0897000000e-03 -4.6644000000e-03 -7.5226000000e-03 -8.8910000000e-04  8.6300000000e-04  2.4598000000e-03 -2.4048000000e-03  2.4135000000e-03  2.5689000000e-03 -3.6087000000e-03  1.1807000000e-03  2.2300000000e-04  4.0316000000e-03  1.3145000000e-03 -2.7629000000e-03  7.8120000000e-04 -1.1072000000e-03  5.0339000000e-03
+
+JOB 14
+COORDS -7.9535000000e-01  1.2540290000e+00 -5.4857500000e-01 -4.3371000000e-02  1.6469870000e+00 -1.0546800000e-01 -1.2088690000e+00  7.0737300000e-01  1.1955700000e-01  8.2024200000e-01 -1.2744210000e+00  4.3941700000e-01  3.6494900000e-01 -1.7190420000e+00  1.1544360000e+00  5.9866800000e-01 -3.5003400000e-01  5.5186900000e-01
+ENERGY -1.526508416875e+02
+FORCES -2.7130000000e-04 -2.9210000000e-04  2.6187000000e-03 -2.7356000000e-03 -5.4448000000e-03 -9.6340000000e-04  4.7344000000e-03  1.9294000000e-03 -1.6551000000e-03 -2.8502000000e-03  2.6109000000e-03  9.3130000000e-04  1.0291000000e-03  2.8394000000e-03 -3.5208000000e-03  9.3600000000e-05 -1.6428000000e-03  2.5893000000e-03
+
+JOB 15
+COORDS  7.4054300000e-01 -1.0042980000e+00 -8.7766900000e-01  6.8724900000e-01 -1.5540260000e+00 -9.5882000000e-02  4.1330400000e-01 -1.5603050000e+00 -1.5847770000e+00 -7.5511000000e-01  1.0320310000e+00  8.9161100000e-01 -7.0819900000e-01  1.9586410000e+00  1.1270330000e+00 -7.3857000000e-02  9.1799200000e-01  2.2894900000e-01
+ENERGY -1.526598596468e+02
+FORCES -2.7692000000e-03 -5.9007000000e-03  3.7300000000e-05  9.1920000000e-04  2.3830000000e-03 -4.1681000000e-03  1.7982000000e-03  1.5679000000e-03  3.1167000000e-03  3.5178000000e-03  1.1185000000e-03 -3.9959000000e-03  2.3440000000e-04 -3.5150000000e-03 -1.4944000000e-03 -3.7003000000e-03  4.3463000000e-03  6.5043000000e-03
+
+JOB 16
+COORDS  2.5079400000e-01  7.0455900000e-01 -1.3130170000e+00  6.1500000000e-02  8.5821500000e-01 -2.2386460000e+00  1.0969310000e+00  2.5702900000e-01 -1.3121730000e+00 -2.5146800000e-01 -7.1783000000e-01  1.4057170000e+00 -1.2083550000e+00 -7.3955400000e-01  1.3943850000e+00 -1.8118000000e-02 -7.3429000000e-02  7.3749000000e-01
+ENERGY -1.526591700140e+02
+FORCES  1.5160000000e-03 -1.1483000000e-03 -5.6792000000e-03  1.7303000000e-03 -8.9850000000e-04  3.5048000000e-03 -4.7280000000e-03  2.4340000000e-03  1.4706000000e-03 -4.0310000000e-03  4.3814000000e-03 -6.1725000000e-03  2.9013000000e-03 -4.8970000000e-04  9.9740000000e-04  2.6114000000e-03 -4.2789000000e-03  5.8789000000e-03
+
+JOB 17
+COORDS -6.9993000000e-02  1.2981200000e+00 -8.0316700000e-01 -5.6264500000e-01  1.9663660000e+00 -1.2795840000e+00  6.9030400000e-01  1.1201690000e+00 -1.3568030000e+00  2.3646000000e-02 -1.3397530000e+00  8.1110900000e-01  6.1549200000e-01 -1.9015150000e+00  1.3114820000e+00  3.4404000000e-02 -5.0398800000e-01  1.2775990000e+00
+ENERGY -1.526555951199e+02
+FORCES  1.2390000000e-03  6.7000000000e-05 -5.3476000000e-03  2.0602000000e-03 -2.9714000000e-03  1.9724000000e-03 -2.8490000000e-03  2.2791000000e-03  2.1170000000e-03  8.5960000000e-04  3.8690000000e-03  3.1641000000e-03 -1.9739000000e-03  2.6060000000e-03 -2.6550000000e-03  6.6410000000e-04 -5.8498000000e-03  7.4910000000e-04
+
+JOB 18
+COORDS -1.5809330000e+00  5.1805700000e-01 -1.5427500000e-01 -1.3800660000e+00 -1.4622100000e-01  5.0498200000e-01 -8.9822500000e-01  4.1271300000e-01 -8.1688000000e-01  1.4797070000e+00 -4.8451000000e-01  1.9558600000e-01  1.5556910000e+00 -7.1281600000e-01 -7.3087700000e-01  2.2558240000e+00  4.5711000000e-02  3.7652800000e-01
+ENERGY -1.526562036487e+02
+FORCES  7.7519000000e-03 -3.6976000000e-03  2.1044000000e-03 -3.8778000000e-03  2.1474000000e-03 -2.3073000000e-03 -3.6410000000e-03  4.9810000000e-04 -7.6610000000e-04  5.2573000000e-03  1.7865000000e-03 -1.6818000000e-03 -2.3202000000e-03  1.9741000000e-03  3.8384000000e-03 -3.1702000000e-03 -2.7084000000e-03 -1.1876000000e-03
+
+JOB 19
+COORDS -5.0319500000e-01 -8.3018300000e-01  1.2964180000e+00 -7.1679900000e-01 -4.1095200000e-01  4.6284100000e-01 -1.0670990000e+00 -1.6030080000e+00  1.3278200000e+00  4.9710800000e-01  8.4609700000e-01 -1.2991800000e+00  6.4152300000e-01  1.4860190000e+00 -6.0213300000e-01  1.1997180000e+00  2.0587400000e-01 -1.1865480000e+00
+ENERGY -1.526595110122e+02
+FORCES -3.4789000000e-03 -4.5580000000e-04 -4.5987000000e-03  3.4290000000e-04 -3.2022000000e-03  7.2015000000e-03  2.2422000000e-03  2.9337000000e-03 -6.1020000000e-04  6.7688000000e-03  1.4120000000e-03  2.1000000000e-03 -1.8902000000e-03 -3.5477000000e-03 -3.1550000000e-03 -3.9848000000e-03  2.8600000000e-03 -9.3750000000e-04
+
+JOB 20
+COORDS -1.9284300000e-01 -1.5482540000e+00 -5.7075900000e-01 -9.5160000000e-03 -7.8309600000e-01 -2.5638000000e-02 -8.1366700000e-01 -1.2320950000e+00 -1.2271520000e+00  1.6216400000e-01  1.4459790000e+00  5.6827300000e-01  2.7642700000e-01  2.3963270000e+00  5.7223900000e-01  1.0301040000e+00  1.0990460000e+00  7.7454900000e-01
+ENERGY -1.526576387706e+02
+FORCES -3.4585000000e-03  7.5419000000e-03 -2.5950000000e-04  3.3071000000e-03 -5.6509000000e-03 -6.6320000000e-04  1.9891000000e-03 -2.5463000000e-03  1.4875000000e-03  3.7252000000e-03  5.4064000000e-03  9.2340000000e-04  8.5600000000e-05 -4.0392000000e-03  2.9690000000e-04 -5.6486000000e-03 -7.1190000000e-04 -1.7851000000e-03
+
+JOB 21
+COORDS  3.6414500000e-01 -1.5864090000e+00  3.6781300000e-01  1.0121710000e+00 -1.4398380000e+00  1.0568790000e+00 -1.3346100000e-01 -7.6965400000e-01  3.2867800000e-01 -3.1457300000e-01  1.5144340000e+00 -4.1754000000e-01 -1.0377960000e+00  1.5185920000e+00 -1.0445670000e+00 -7.1094400000e-01  1.7934560000e+00  4.0785000000e-01
+ENERGY -1.526576767774e+02
+FORCES  1.3593000000e-03  7.4472000000e-03  3.4820000000e-04 -2.5310000000e-03 -8.7120000000e-04 -1.9079000000e-03 -2.0720000000e-04 -7.4485000000e-03  3.2274000000e-03 -4.1490000000e-03  5.0829000000e-03 -1.9221000000e-03  3.2903000000e-03 -4.7890000000e-04  3.7415000000e-03  2.2376000000e-03 -3.7315000000e-03 -3.4871000000e-03
+
+JOB 22
+COORDS -1.8374000000e-01 -1.4645360000e+00 -6.0202000000e-01 -8.7629300000e-01 -2.1061520000e+00 -4.4412500000e-01  5.7009800000e-01 -1.8009530000e+00 -1.1747500000e-01  1.6514700000e-01  1.5699900000e+00  5.2734400000e-01 -2.8538400000e-01  7.2663800000e-01  5.7218800000e-01  8.6906400000e-01  1.5006240000e+00  1.1722630000e+00
+ENERGY -1.526569293878e+02
+FORCES  1.3896000000e-03 -6.3836000000e-03 -3.1720000000e-04  3.2522000000e-03  3.5885000000e-03 -1.7340000000e-04 -4.0750000000e-03  2.3694000000e-03 -1.1002000000e-03  7.2000000000e-06 -6.0722000000e-03  2.8330000000e-04  1.7703000000e-03  6.7485000000e-03  3.7241000000e-03 -2.3444000000e-03 -2.5060000000e-04 -2.4166000000e-03
+
+JOB 23
+COORDS -1.5491210000e+00  2.0039000000e-01  5.8506400000e-01 -7.3165400000e-01  5.1263100000e-01  1.9714200000e-01 -2.1973090000e+00  2.9448000000e-01 -1.1295600000e-01  1.4822290000e+00 -2.2196300000e-01 -5.5231000000e-01  1.9412620000e+00  5.2382400000e-01 -1.6588700000e-01  2.0842060000e+00 -9.5788900000e-01 -4.4154500000e-01
+ENERGY -1.526575538408e+02
+FORCES  3.5792000000e-03 -2.4950000000e-04 -5.6642000000e-03 -6.0951000000e-03  2.8393000000e-03  3.3856000000e-03  2.1424000000e-03 -2.7890000000e-04  2.6154000000e-03  5.6502000000e-03 -3.1798000000e-03  2.0606000000e-03 -3.7732000000e-03 -2.8999000000e-03 -1.4778000000e-03 -1.5035000000e-03  3.7688000000e-03 -9.1960000000e-04
+
+JOB 24
+COORDS  1.5097480000e+00 -5.7349200000e-01  2.9078000000e-02  2.2601230000e+00 -1.0913360000e+00 -2.6248100000e-01  1.3433440000e+00  3.4535000000e-02 -6.9123100000e-01 -1.5369590000e+00  6.2921800000e-01  1.4480000000e-02 -2.2829760000e+00  5.0814000000e-02 -1.4406900000e-01 -8.9637900000e-01  7.7213000000e-02  4.6301000000e-01
+ENERGY -1.526592594769e+02
+FORCES  3.9558000000e-03  2.8850000000e-04 -4.6147000000e-03 -2.9246000000e-03  2.5100000000e-03  5.7340000000e-04  1.2068000000e-03 -3.7048000000e-03  3.9832000000e-03  1.9370000000e-04 -5.5778000000e-03  2.4319000000e-03  2.7086000000e-03  2.2105000000e-03  5.6880000000e-04 -5.1403000000e-03  4.2736000000e-03 -2.9427000000e-03
+
+JOB 25
+COORDS  4.1096700000e-01  1.5340260000e+00 -1.2364600000e-01  6.3414500000e-01  2.3113750000e+00  3.8836200000e-01  4.6492900000e-01  1.8230190000e+00 -1.0345820000e+00 -4.8095000000e-01 -1.5786150000e+00  1.6829900000e-01  1.0446200000e-01 -1.0017420000e+00 -3.2235600000e-01 -1.6194000000e-02 -2.4144590000e+00  2.0827400000e-01
+ENERGY -1.526563453309e+02
+FORCES  3.4010000000e-04  6.2886000000e-03  6.1780000000e-04 -8.6540000000e-04 -2.7352000000e-03 -2.8509000000e-03  1.2450000000e-04 -2.5798000000e-03  3.9044000000e-03  4.6681000000e-03  2.0211000000e-03 -1.1837000000e-03 -2.6401000000e-03 -6.4211000000e-03 -4.0350000000e-04 -1.6273000000e-03  3.4263000000e-03 -8.4200000000e-05
+
+JOB 26
+COORDS  1.3943510000e+00  4.6790000000e-03  1.0295320000e+00  8.7328400000e-01 -7.3306100000e-01  1.3464880000e+00  1.4311550000e+00 -1.1751000000e-01  8.0876000000e-02 -1.3939930000e+00 -6.5660000000e-03 -1.0253110000e+00 -9.3777000000e-01 -2.3300000000e-02 -1.8399500000e-01 -1.4100870000e+00  9.1836500000e-01 -1.2712300000e+00
+ENERGY -1.526563007796e+02
+FORCES  1.8801000000e-03 -5.0937000000e-03 -2.2772000000e-03  3.6220000000e-04  4.8838000000e-03 -2.3316000000e-03 -1.7477000000e-03  1.5616000000e-03  5.3851000000e-03  8.9060000000e-04  5.5038000000e-03  3.3756000000e-03 -1.5130000000e-03 -2.7522000000e-03 -4.5740000000e-03  1.2790000000e-04 -4.1032000000e-03  4.2210000000e-04
+
+JOB 27
+COORDS -6.2343000000e-01 -1.4483870000e+00  4.8482800000e-01 -7.4742800000e-01 -1.1249950000e+00  1.3771690000e+00 -1.3064090000e+00 -2.1094930000e+00  3.7208200000e-01  6.4586100000e-01  1.4998650000e+00 -4.7635100000e-01  5.5268500000e-01  5.6251300000e-01 -6.4641600000e-01  1.1233850000e+00  1.8351380000e+00 -1.2351620000e+00
+ENERGY -1.526588859243e+02
+FORCES -4.4565000000e-03 -1.8729000000e-03  4.1323000000e-03  3.1060000000e-04 -2.2965000000e-03 -3.9227000000e-03  2.7704000000e-03  2.5901000000e-03  9.9000000000e-04  5.2370000000e-04 -4.2362000000e-03 -3.1926000000e-03  2.7321000000e-03  7.2966000000e-03 -6.4040000000e-04 -1.8803000000e-03 -1.4812000000e-03  2.6335000000e-03
+
+JOB 28
+COORDS  1.1274380000e+00 -1.1319040000e+00  6.4577500000e-01  9.3047600000e-01 -5.4552800000e-01 -8.4705000000e-02  2.0439040000e+00 -1.3762970000e+00  5.1695600000e-01 -1.1523820000e+00  1.0757150000e+00 -5.3959300000e-01 -2.0406320000e+00  1.1573540000e+00 -8.8683700000e-01 -6.1316000000e-01  1.5962540000e+00 -1.1350010000e+00
+ENERGY -1.526552801253e+02
+FORCES  5.6660000000e-04  2.3200000000e-03 -3.5269000000e-03  4.6967000000e-03 -3.3218000000e-03  2.3513000000e-03 -3.7715000000e-03  1.2962000000e-03  3.0000000000e-04 -4.3856000000e-03  3.2280000000e-03 -3.2556000000e-03  3.9381000000e-03  3.1810000000e-04  1.3769000000e-03 -1.0443000000e-03 -3.8405000000e-03  2.7543000000e-03
+
+JOB 29
+COORDS -1.2345500000e+00  5.6189000000e-02  1.2512480000e+00 -1.2099760000e+00  9.1886200000e-01  1.6652810000e+00 -3.1644900000e-01 -2.0821600000e-01  1.1928400000e+00  1.1340420000e+00 -6.3493000000e-02 -1.2524880000e+00  1.1901970000e+00 -9.5787900000e-01 -1.5888670000e+00  2.0317050000e+00  2.6599200000e-01 -1.2957810000e+00
+ENERGY -1.526557695801e+02
+FORCES  5.4443000000e-03  2.9543000000e-03 -1.3668000000e-03 -2.9430000000e-04 -3.1878000000e-03 -1.0513000000e-03 -4.7444000000e-03 -4.6500000000e-05  3.6246000000e-03  3.5854000000e-03 -2.3145000000e-03 -4.0885000000e-03  1.5600000000e-04  3.9558000000e-03  2.0579000000e-03 -4.1470000000e-03 -1.3612000000e-03  8.2410000000e-04
+
+JOB 30
+COORDS  1.4962580000e+00 -1.0413690000e+00 -2.3847900000e-01  9.1889100000e-01 -3.0232800000e-01 -4.6912000000e-02  9.0250900000e-01 -1.7764550000e+00 -3.9126400000e-01 -1.3781670000e+00  1.0528370000e+00  2.2190200000e-01 -2.1493300000e+00  9.8329500000e-01 -3.4086200000e-01 -1.7096740000e+00  8.8841400000e-01  1.1046810000e+00
+ENERGY -1.526584955078e+02
+FORCES -6.3662000000e-03  1.8025000000e-03 -8.4100000000e-05  5.6546000000e-03 -4.9173000000e-03 -2.4480000000e-04  2.4895000000e-03  1.9350000000e-03  5.4850000000e-04 -6.6313000000e-03  8.2260000000e-04  1.0960000000e-03  3.1529000000e-03  1.2070000000e-04  2.8942000000e-03  1.7004000000e-03  2.3660000000e-04 -4.2098000000e-03
+
+JOB 31
+COORDS  1.1301450000e+00 -1.3295080000e+00  3.4660200000e-01  1.7704520000e+00 -1.7518500000e+00  9.1919700000e-01  3.1626900000e-01 -1.3365080000e+00  8.5037500000e-01 -1.0959630000e+00  1.3047730000e+00 -3.6557700000e-01 -1.7719460000e+00  1.9594840000e+00 -1.9055600000e-01 -8.1960300000e-01  1.4797260000e+00 -1.2651590000e+00
+ENERGY -1.526551899087e+02
+FORCES -2.0717000000e-03 -3.6700000000e-04  4.4839000000e-03 -2.5078000000e-03  1.7731000000e-03 -2.2749000000e-03  4.3220000000e-03 -2.1283000000e-03 -1.2996000000e-03 -5.0290000000e-04  3.5637000000e-03 -4.0536000000e-03  2.8582000000e-03 -2.8739000000e-03 -4.7380000000e-04 -2.0979000000e-03  3.2400000000e-05  3.6181000000e-03
+
+JOB 32
+COORDS  9.9633200000e-01 -8.0437700000e-01  1.3332430000e+00  1.6113050000e+00 -4.8148200000e-01  1.9918630000e+00  1.1166360000e+00 -2.1929600000e-01  5.8528600000e-01 -9.7796700000e-01  7.2207100000e-01 -1.3283650000e+00 -1.1969650000e+00  1.5712840000e+00 -9.4481700000e-01 -1.7908620000e+00  4.2738100000e-01 -1.7389630000e+00
+ENERGY -1.526559770051e+02
+FORCES  2.0804000000e-03  3.5846000000e-03 -2.1328000000e-03 -2.6396000000e-03 -9.9860000000e-04 -2.5765000000e-03  1.7129000000e-03 -2.3544000000e-03  5.2415000000e-03 -5.8676000000e-03  1.2840000000e-03 -2.6720000000e-04  1.5541000000e-03 -3.3929000000e-03 -1.6203000000e-03  3.1599000000e-03  1.8773000000e-03  1.3552000000e-03
+
+JOB 33
+COORDS -5.0035900000e-01  4.9297600000e-01  1.6629680000e+00 -1.0573990000e+00 -2.8222300000e-01  1.5922120000e+00 -9.5444200000e-01  1.0585900000e+00  2.2875660000e+00  5.7487300000e-01 -4.2014400000e-01 -1.6926650000e+00  6.9344700000e-01 -1.0528700000e+00 -2.4010640000e+00  1.0554100000e-01 -9.0506100000e-01 -1.0138320000e+00
+ENERGY -1.526530247069e+02
+FORCES -4.4225000000e-03  7.0900000000e-04  3.0825000000e-03  3.0807000000e-03  2.5211000000e-03 -1.1659000000e-03  1.9842000000e-03 -2.5500000000e-03 -2.4242000000e-03 -1.2158000000e-03 -3.9484000000e-03  1.0269000000e-03 -5.3400000000e-04  2.7779000000e-03  3.0063000000e-03  1.1073000000e-03  4.9030000000e-04 -3.5257000000e-03
+
+JOB 34
+COORDS -2.3366100000e-01 -1.8327920000e+00  1.0614400000e-01 -1.7862600000e-01 -1.3209520000e+00 -7.0084000000e-01 -7.7763900000e-01 -2.5860100000e+00 -1.2403300000e-01  2.2743000000e-01  1.7874890000e+00 -6.6312000000e-02 -6.6033000000e-02  2.4067610000e+00  6.0197900000e-01  1.0101840000e+00  2.1915920000e+00 -4.4078300000e-01
+ENERGY -1.526549654894e+02
+FORCES -1.8502000000e-03  9.6710000000e-04 -4.3742000000e-03 -1.0760000000e-04 -4.5498000000e-03  2.3895000000e-03  2.0923000000e-03  3.0648000000e-03  1.0651000000e-03  1.8533000000e-03  4.3997000000e-03  2.8502000000e-03  1.3760000000e-03 -1.9448000000e-03 -3.1063000000e-03 -3.3638000000e-03 -1.9370000000e-03  1.1758000000e-03
+
+JOB 35
+COORDS -1.1418490000e+00  5.0855300000e-01  1.3774780000e+00 -3.9493100000e-01  3.2934300000e-01  1.9486430000e+00 -1.3323030000e+00  1.4364080000e+00  1.5154740000e+00  1.1662940000e+00 -5.8402000000e-01 -1.4326470000e+00  9.0790300000e-01  3.1386000000e-01 -1.6406820000e+00  4.4548300000e-01 -9.2454000000e-01 -9.0282800000e-01
+ENERGY -1.526569418847e+02
+FORCES  1.6600000000e-03  3.7751000000e-03  4.4103000000e-03 -3.3803000000e-03  5.9970000000e-04 -2.9174000000e-03  9.6760000000e-04 -3.8937000000e-03 -6.7190000000e-04 -5.6853000000e-03  2.6865000000e-03  1.9231000000e-03  1.9593000000e-03 -3.1292000000e-03  4.5800000000e-05  4.4787000000e-03 -3.8400000000e-05 -2.7899000000e-03
+
+JOB 36
+COORDS  6.8754900000e-01  6.7509700000e-01 -1.6296490000e+00  1.1780400000e+00  1.4548000000e+00 -1.8898690000e+00  2.7117300000e-01  9.1836500000e-01 -8.0279700000e-01 -6.9100600000e-01 -6.9086400000e-01  1.6349410000e+00 -6.0552000000e-01 -6.2402800000e-01  6.8391100000e-01 -7.6627900000e-01 -1.6300560000e+00  1.8037150000e+00
+ENERGY -1.526546072280e+02
+FORCES  1.6605000000e-03  6.0918000000e-03  1.8261000000e-03 -2.0871000000e-03 -3.3074000000e-03  7.3900000000e-04  3.5320000000e-04 -4.0323000000e-03 -3.1887000000e-03  1.2190000000e-04 -5.6709000000e-03 -3.1271000000e-03 -1.0950000000e-04  2.9711000000e-03  3.9907000000e-03  6.1200000000e-05  3.9477000000e-03 -2.3990000000e-04
+
+JOB 37
+COORDS -3.9466400000e-01  1.8534090000e+00 -3.2194000000e-01  5.7125000000e-02  2.0867470000e+00 -1.1329090000e+00  3.0622100000e-01  1.6012420000e+00  2.7922800000e-01  3.7540900000e-01 -1.8423970000e+00  2.8174100000e-01  6.3015000000e-01 -2.3576590000e+00  1.0471450000e+00 -5.0667300000e-01 -1.5310510000e+00  4.8478600000e-01
+ENERGY -1.526561099044e+02
+FORCES  5.6990000000e-03 -6.7260000000e-04 -1.5246000000e-03 -1.9488000000e-03 -3.1400000000e-04  3.2589000000e-03 -3.5579000000e-03  1.9863000000e-03 -1.8590000000e-03 -3.6834000000e-03 -1.3736000000e-03  3.2103000000e-03 -9.0940000000e-04  2.5001000000e-03 -3.0474000000e-03  4.4004000000e-03 -2.1262000000e-03 -3.8200000000e-05
+
+JOB 38
+COORDS  1.0446270000e+00 -1.5390800000e+00  7.2392000000e-02  8.8607300000e-01 -2.4638530000e+00 -1.1704800000e-01  1.9714450000e+00 -1.4978600000e+00  3.0806200000e-01 -1.0568960000e+00  1.5794740000e+00 -2.1332000000e-02 -1.8761540000e+00  1.1633710000e+00 -2.8948600000e-01 -7.7007500000e-01  2.0651890000e+00 -7.9466700000e-01
+ENERGY -1.526527260885e+02
+FORCES  3.4333000000e-03 -3.0341000000e-03  8.3420000000e-04  2.4410000000e-04  4.0284000000e-03  6.2090000000e-04 -3.7566000000e-03 -3.4810000000e-04 -1.2109000000e-03 -1.3528000000e-03 -1.4929000000e-03 -4.5138000000e-03  2.6630000000e-03  2.2417000000e-03  1.1022000000e-03 -1.2310000000e-03 -1.3950000000e-03  3.1675000000e-03
+
+JOB 39
+COORDS -7.9258000000e-02  1.8071180000e+00  6.7321300000e-01  2.2296600000e-01  2.1406750000e+00  1.5179800000e+00 -2.0969900000e-01  8.6996400000e-01  8.1798800000e-01  6.0537000000e-02 -1.7942090000e+00 -6.5175100000e-01  5.9005500000e-01 -1.0893620000e+00 -1.0246220000e+00 -3.2976200000e-01 -2.2282290000e+00 -1.4103850000e+00
+ENERGY -1.526569721078e+02
+FORCES -2.0470000000e-04 -2.7267000000e-03  4.7533000000e-03 -1.2056000000e-03 -1.2704000000e-03 -3.3737000000e-03  1.7668000000e-03  5.5553000000e-03 -1.0039000000e-03  5.5570000000e-04 -1.6400000000e-05 -6.0942000000e-03 -2.8463000000e-03 -3.1464000000e-03  2.6920000000e-03  1.9341000000e-03  1.6045000000e-03  3.0266000000e-03
+
+JOB 40
+COORDS -1.0689520000e+00 -7.6914800000e-01  1.4609060000e+00 -3.0932600000e-01 -8.8103400000e-01  2.0324670000e+00 -7.5306700000e-01 -1.0142170000e+00  5.9120000000e-01  9.9986800000e-01  8.4319900000e-01 -1.4113500000e+00  1.7970310000e+00  3.1375300000e-01 -1.3901520000e+00  4.1723100000e-01  3.7586100000e-01 -2.0099820000e+00
+ENERGY -1.526539496565e+02
+FORCES  5.4128000000e-03  3.3380000000e-04 -1.8503000000e-03 -3.1729000000e-03 -1.8060000000e-04 -1.8852000000e-03 -2.1311000000e-03 -7.9450000000e-04  3.3552000000e-03  1.4108000000e-03 -2.3305000000e-03 -3.6900000000e-03 -3.9249000000e-03  1.7736000000e-03  5.6960000000e-04  2.4053000000e-03  1.1982000000e-03  3.5007000000e-03
+
+JOB 41
+COORDS -2.4726000000e-02  3.4099800000e-01  1.8774240000e+00  9.1935700000e-01  1.8680600000e-01  1.9115380000e+00 -4.0434000000e-01 -3.8347900000e-01  2.3746740000e+00 -2.0764000000e-02 -3.1011600000e-01 -1.9661060000e+00 -6.1379800000e-01 -2.2468400000e-01 -1.2196180000e+00  8.2046200000e-01  1.2047000000e-02 -1.6424070000e+00
+ENERGY -1.526564659327e+02
+FORCES  2.5033000000e-03 -3.4158000000e-03  4.4424000000e-03 -4.1092000000e-03  6.5920000000e-04 -9.7080000000e-04  1.6285000000e-03  3.1586000000e-03 -2.4786000000e-03  4.8430000000e-04  2.6159000000e-03  5.7634000000e-03  1.8417000000e-03 -1.3847000000e-03 -4.9044000000e-03 -2.3486000000e-03 -1.6332000000e-03 -1.8520000000e-03
+
+JOB 42
+COORDS -1.6519380000e+00 -1.1194600000e+00 -3.7203500000e-01 -1.6651910000e+00 -3.1913800000e-01  1.5288500000e-01 -7.3228900000e-01 -1.3847500000e+00 -3.8196200000e-01  1.5919390000e+00  1.1399660000e+00  3.8434600000e-01  1.9860540000e+00  2.9051400000e-01  5.8268200000e-01  1.4016410000e+00  1.1032370000e+00 -5.5302800000e-01
+ENERGY -1.526549495265e+02
+FORCES  3.4773000000e-03  2.6752000000e-03  3.1902000000e-03 -6.4440000000e-04 -3.8404000000e-03 -2.8160000000e-03 -3.1472000000e-03  7.8850000000e-04 -7.0140000000e-04  2.8294000000e-03 -2.2954000000e-03 -3.2598000000e-03 -2.7574000000e-03  3.2039000000e-03 -1.0519000000e-03  2.4220000000e-04 -5.3180000000e-04  4.6389000000e-03
+
+JOB 43
+COORDS -9.0450100000e-01  1.0862290000e+00  1.4159440000e+00 -3.3159000000e-02  1.4313410000e+00  1.6106020000e+00 -1.0689890000e+00  1.3470260000e+00  5.0976500000e-01  8.9200600000e-01 -1.1480930000e+00 -1.4442400000e+00  1.4409470000e+00 -8.6330600000e-01 -7.1362900000e-01  2.0890000000e-03 -9.1276500000e-01 -1.1817490000e+00
+ENERGY -1.526546560563e+02
+FORCES  2.1228000000e-03  4.4260000000e-03 -1.6457000000e-03 -3.5217000000e-03 -2.1941000000e-03 -1.2232000000e-03  1.1594000000e-03 -2.6259000000e-03  3.5373000000e-03 -1.7484000000e-03  8.7460000000e-04  5.1091000000e-03 -1.7177000000e-03 -5.0200000000e-04 -3.4724000000e-03  3.7056000000e-03  2.1300000000e-05 -2.3052000000e-03
+
+JOB 44
+COORDS -1.4442460000e+00  3.3379600000e-01 -1.2555140000e+00 -1.2290800000e+00  9.6331900000e-01 -1.9437270000e+00 -1.5646970000e+00 -4.9555300000e-01 -1.7180100000e+00  1.4401510000e+00 -3.4965900000e-01  1.2659510000e+00  1.3407220000e+00  5.8632900000e-01  1.4399400000e+00  1.5011960000e+00 -7.4983700000e-01  2.1333400000e+00
+ENERGY -1.526536684166e+02
+FORCES  1.3019000000e-03 -1.9436000000e-03 -4.4809000000e-03 -9.0730000000e-04 -2.2021000000e-03  2.9881000000e-03 -2.0860000000e-04  3.5720000000e-03  1.4607000000e-03 -1.5127000000e-03  2.8199000000e-03  3.7750000000e-03  1.4972000000e-03 -3.6430000000e-03 -1.9280000000e-04 -1.7060000000e-04  1.3968000000e-03 -3.5501000000e-03
+
+JOB 45
+COORDS -1.5044720000e+00  1.3238790000e+00 -4.3112100000e-01 -1.8456350000e+00  1.7717000000e+00  3.4302100000e-01 -5.5627600000e-01  1.3084270000e+00 -3.0105000000e-01  1.5128070000e+00 -1.3097680000e+00  3.7622200000e-01  1.4701830000e+00 -2.0593440000e+00  9.6998300000e-01  7.2173900000e-01 -1.3814320000e+00 -1.5791800000e-01
+ENERGY -1.526561495873e+02
+FORCES  2.7228000000e-03  2.8244000000e-03  4.1286000000e-03  1.1612000000e-03 -1.7728000000e-03 -3.2219000000e-03 -4.8201000000e-03 -5.9240000000e-04 -1.2342000000e-03 -3.3832000000e-03 -4.6061000000e-03  2.5370000000e-04  2.7990000000e-04  3.0094000000e-03 -2.4347000000e-03  4.0395000000e-03  1.1375000000e-03  2.5085000000e-03
+
+JOB 46
+COORDS  1.5681600000e+00  5.3342100000e-01  1.1943990000e+00  1.6197380000e+00  1.1253500000e+00  1.9448600000e+00  9.7174300000e-01  9.6916700000e-01  5.8559300000e-01 -1.5270080000e+00 -5.8079800000e-01 -1.2680580000e+00 -1.0364850000e+00 -2.3432400000e-01 -5.2269000000e-01 -2.2130030000e+00 -1.1198250000e+00 -8.7424000000e-01
+ENERGY -1.526537169953e+02
+FORCES -4.5980000000e-04  5.3424000000e-03  9.2900000000e-04 -2.5660000000e-04 -2.7156000000e-03 -3.2891000000e-03  5.5430000000e-04 -3.5132000000e-03  2.7237000000e-03 -8.0040000000e-04 -2.2647000000e-03  5.1096000000e-03 -1.6244000000e-03  7.6790000000e-04 -3.5762000000e-03  2.5870000000e-03  2.3833000000e-03 -1.8970000000e-03
+
+JOB 47
+COORDS  1.2587640000e+00 -1.6064010000e+00 -4.7868100000e-01  6.9081700000e-01 -8.3622000000e-01 -5.0078200000e-01  7.7095800000e-01 -2.2780580000e+00 -9.5528800000e-01 -1.2023110000e+00  1.6320790000e+00  4.4711000000e-01 -1.7270210000e+00  9.3698100000e-01  8.4428700000e-01 -5.6700700000e-01  1.8690380000e+00  1.1227370000e+00
+ENERGY -1.526561678907e+02
+FORCES -4.2649000000e-03  1.1577000000e-03 -2.8086000000e-03  3.0276000000e-03 -4.7844000000e-03  7.4210000000e-04  1.8324000000e-03  2.5233000000e-03  2.1065000000e-03 -7.2710000000e-04  1.1130000000e-04  5.6748000000e-03  2.8293000000e-03  2.4423000000e-03 -2.4056000000e-03 -2.6973000000e-03 -1.4502000000e-03 -3.3092000000e-03
+
+JOB 48
+COORDS -6.6074000000e-02 -7.0606400000e-01  1.9452190000e+00 -2.2001200000e-01 -7.5800200000e-01  2.8885310000e+00 -8.8977100000e-01 -3.7699600000e-01  1.5854000000e+00  1.7054000000e-01  6.7401600000e-01 -1.9484410000e+00 -8.0625000000e-02  3.6055600000e-01 -2.8172860000e+00 -5.1365200000e-01  1.3003720000e+00 -1.7122380000e+00
+ENERGY -1.526530401004e+02
+FORCES -3.8509000000e-03  1.1323000000e-03  1.6710000000e-03  7.3870000000e-04  2.1510000000e-04 -3.9615000000e-03  2.8798000000e-03 -1.1024000000e-03  2.0499000000e-03 -3.2350000000e-03  1.2751000000e-03 -2.8630000000e-03  1.0204000000e-03  1.3529000000e-03  3.6783000000e-03  2.4470000000e-03 -2.8730000000e-03 -5.7460000000e-04
+
+JOB 49
+COORDS  6.7399000000e-01 -1.8238410000e+00 -6.3992800000e-01  1.0195080000e+00 -2.2377610000e+00 -1.4308250000e+00  1.0723010000e+00 -2.3125590000e+00  8.0305000000e-02 -6.8056300000e-01  1.9117690000e+00  6.0438100000e-01 -4.8983800000e-01  1.0055390000e+00  8.4646300000e-01 -1.4697620000e+00  2.1314220000e+00  1.0995070000e+00
+ENERGY -1.526552529763e+02
+FORCES  3.5273000000e-03 -4.0004000000e-03 -1.7161000000e-03 -1.3362000000e-03  1.2556000000e-03  3.5075000000e-03 -1.9949000000e-03  2.4422000000e-03 -2.6296000000e-03 -2.0998000000e-03 -3.9180000000e-03  2.0493000000e-03 -1.2029000000e-03  5.0023000000e-03  6.5060000000e-04  3.1066000000e-03 -7.8180000000e-04 -1.8617000000e-03
+
+JOB 50
+COORDS  7.0161200000e-01 -1.8032480000e+00 -8.9483100000e-01 -1.5116900000e-01 -1.8186600000e+00 -4.6036600000e-01  1.3064160000e+00 -2.1691460000e+00 -2.4941500000e-01 -6.6753300000e-01  1.8246090000e+00  7.8055600000e-01 -1.2260880000e+00  2.4258150000e+00  1.2733030000e+00 -4.7245000000e-01  1.1186560000e+00  1.3968400000e+00
+ENERGY -1.526532340217e+02
+FORCES -1.2189000000e-03 -1.2462000000e-03  3.6334000000e-03  3.8019000000e-03 -2.7630000000e-04 -1.1419000000e-03 -2.6428000000e-03  1.7031000000e-03 -2.3782000000e-03 -1.0125000000e-03 -8.0000000000e-06  4.4440000000e-03  2.3507000000e-03 -2.6030000000e-03 -2.1434000000e-03 -1.2784000000e-03  2.4305000000e-03 -2.4140000000e-03
+
+JOB 51
+COORDS  1.0103000000e+00 -8.5135200000e-01 -1.7297730000e+00  5.8626700000e-01 -4.9728000000e-02 -1.4234620000e+00  1.8225630000e+00 -9.0083800000e-01 -1.2257770000e+00 -9.9142600000e-01  8.4793400000e-01  1.6338250000e+00 -1.5257750000e+00  1.2216510000e+00  2.3345670000e+00 -1.0899330000e+00 -9.8712000000e-02  1.7357530000e+00
+ENERGY -1.526561078863e+02
+FORCES  1.4723000000e-03  4.0083000000e-03  3.3900000000e-03  2.0985000000e-03 -4.1176000000e-03 -2.0792000000e-03 -3.1426000000e-03 -2.5420000000e-04 -2.0620000000e-03 -3.2642000000e-03 -2.1752000000e-03  3.9116000000e-03  2.1872000000e-03 -1.7245000000e-03 -2.7598000000e-03  6.4880000000e-04  4.2633000000e-03 -4.0060000000e-04
+
+JOB 52
+COORDS  1.2661220000e+00  8.2337100000e-01 -1.6040600000e+00  1.9919670000e+00  1.2407350000e+00 -1.1401770000e+00  8.9095200000e-01  2.1635500000e-01 -9.6608500000e-01 -1.3293450000e+00 -8.3701600000e-01  1.5086160000e+00 -5.7627700000e-01 -1.2378080000e+00  1.9427670000e+00 -1.2149920000e+00  1.0292300000e-01  1.6488650000e+00
+ENERGY -1.526545592764e+02
+FORCES  1.0133000000e-03 -1.3983000000e-03  3.9393000000e-03 -3.1403000000e-03 -1.6942000000e-03 -1.5648000000e-03  2.6769000000e-03  3.4055000000e-03 -2.4827000000e-03  1.8518000000e-03  1.9478000000e-03  3.8417000000e-03 -2.7270000000e-03  2.0813000000e-03 -2.6415000000e-03  3.2520000000e-04 -4.3422000000e-03 -1.0919000000e-03
+
+JOB 53
+COORDS -4.3208700000e-01 -1.7796200000e+00  1.1825790000e+00 -5.7661900000e-01 -1.3607170000e+00  2.0310260000e+00  5.1797700000e-01 -1.8800840000e+00  1.1232740000e+00  3.4201500000e-01  1.7664300000e+00 -1.2792840000e+00  3.1202800000e-01  2.0407360000e+00 -3.6272000000e-01  1.2104520000e+00  1.3780820000e+00 -1.3852750000e+00
+ENERGY -1.526531114761e+02
+FORCES  2.8864000000e-03  9.3860000000e-04  2.9872000000e-03  7.9030000000e-04 -1.4555000000e-03 -3.5803000000e-03 -3.7227000000e-03  7.4550000000e-04  2.5940000000e-04  2.7793000000e-03 -1.2564000000e-03  3.4532000000e-03  4.8710000000e-04 -6.8860000000e-04 -3.6200000000e-03 -3.2204000000e-03  1.7163000000e-03  5.0050000000e-04
+
+JOB 54
+COORDS -1.4679350000e+00  6.2541400000e-01  1.5635710000e+00 -7.6033500000e-01  9.9105000000e-01  2.0944610000e+00 -1.1720930000e+00  7.3651200000e-01  6.6004100000e-01  1.4035820000e+00 -6.6753100000e-01 -1.4838410000e+00  1.7195000000e+00 -1.2375540000e+00 -2.1849120000e+00  1.2997750000e+00  1.8864000000e-01 -1.8990860000e+00
+ENERGY -1.526545760295e+02
+FORCES  4.9388000000e-03  7.7640000000e-04 -1.8982000000e-03 -3.1148000000e-03 -1.0039000000e-03 -1.8898000000e-03 -1.9493000000e-03  8.2540000000e-04  3.7006000000e-03  1.5360000000e-03  8.2600000000e-05 -5.2062000000e-03 -1.1909000000e-03  2.5888000000e-03  2.8420000000e-03 -2.1970000000e-04 -3.2694000000e-03  2.4515000000e-03
+
+JOB 55
+COORDS -1.8626100000e+00 -1.0737910000e+00 -5.5822800000e-01 -1.5510530000e+00 -1.9508640000e+00 -3.3483200000e-01 -1.5432340000e+00 -9.2512200000e-01 -1.4482440000e+00  1.8352620000e+00  1.0868960000e+00  5.3439300000e-01  1.6940040000e+00  2.0318050000e+00  5.9292400000e-01  1.8191050000e+00  7.8511200000e-01  1.4426310000e+00
+ENERGY -1.526543256434e+02
+FORCES  3.6986000000e-03 -2.4523000000e-03 -2.8234000000e-03 -1.5758000000e-03  3.2794000000e-03 -7.1790000000e-04 -2.0105000000e-03 -9.0210000000e-04  3.2787000000e-03 -1.6009000000e-03  2.6107000000e-03  4.1831000000e-03  9.0340000000e-04 -3.7130000000e-03 -3.1940000000e-04  5.8520000000e-04  1.1773000000e-03 -3.6012000000e-03
+
+JOB 56
+COORDS -7.8563900000e-01  1.7491010000e+00  1.2181600000e+00 -3.8323800000e-01  8.8062300000e-01  1.2110300000e+00 -2.2088800000e-01  2.2705950000e+00  1.7885400000e+00  6.5579900000e-01 -1.7169960000e+00 -1.2516910000e+00  1.0839520000e+00 -2.5673850000e+00 -1.3504650000e+00  1.3771600000e+00 -1.0908670000e+00 -1.1897830000e+00
+ENERGY -1.526545202332e+02
+FORCES  3.3018000000e-03 -2.0817000000e-03  2.1691000000e-03 -1.0389000000e-03  4.5559000000e-03  5.1200000000e-04 -2.1107000000e-03 -2.1301000000e-03 -2.4505000000e-03  4.7334000000e-03 -1.3882000000e-03 -1.3423000000e-03 -1.7254000000e-03  3.6481000000e-03  4.6820000000e-04 -3.1602000000e-03 -2.6041000000e-03  6.4360000000e-04
+
+JOB 57
+COORDS -7.6243600000e-01 -1.3439950000e+00 -1.8071880000e+00 -8.3510000000e-03 -1.0183290000e+00 -2.2986440000e+00 -1.4737850000e+00 -7.4519200000e-01 -2.0344540000e+00  7.9537100000e-01  1.2687350000e+00  1.9051870000e+00  1.0709360000e+00  1.3042270000e+00  9.8919800000e-01 -6.9197000000e-02  1.6794790000e+00  1.9117910000e+00
+ENERGY -1.526536428512e+02
+FORCES -5.2400000000e-05  2.9860000000e-03 -3.3168000000e-03 -3.0866000000e-03 -9.2600000000e-04  2.3727000000e-03  3.1419000000e-03 -2.1826000000e-03  1.1878000000e-03 -2.7509000000e-03  9.7220000000e-04 -3.8825000000e-03 -8.0960000000e-04  4.5700000000e-04  3.6303000000e-03  3.5576000000e-03 -1.3067000000e-03  8.5000000000e-06
+
+JOB 58
+COORDS -2.8621000000e-01  2.2124430000e+00 -9.2907000000e-01  4.1949500000e-01  2.5177740000e+00 -1.4991450000e+00 -1.0886660000e+00  2.4250510000e+00 -1.4056140000e+00  2.8957200000e-01 -2.2965890000e+00  9.5485700000e-01 -3.4721100000e-01 -2.0514170000e+00  1.6261460000e+00  9.4427100000e-01 -1.5987160000e+00  9.7882100000e-01
+ENERGY -1.526547622013e+02
+FORCES -6.9310000000e-04  2.0114000000e-03 -4.6942000000e-03 -2.7895000000e-03 -1.2437000000e-03  2.4780000000e-03  3.3194000000e-03 -6.6080000000e-04  2.0042000000e-03 -1.9320000000e-04  4.7989000000e-03  2.4335000000e-03  2.4929000000e-03 -1.4391000000e-03 -2.4237000000e-03 -2.1365000000e-03 -3.4668000000e-03  2.0210000000e-04
+
+JOB 59
+COORDS -2.2647400000e+00 -1.0291090000e+00  2.1427200000e-01 -1.8397590000e+00 -1.8544030000e+00  4.4775200000e-01 -1.9943070000e+00 -4.1770400000e-01  8.9931400000e-01  2.1698400000e+00  1.0718850000e+00 -2.4404700000e-01  2.9614230000e+00  1.4538240000e+00 -6.2319300000e-01  2.3845450000e+00  1.4716800000e-01 -1.2144000000e-01
+ENERGY -1.526540656301e+02
+FORCES  3.0702000000e-03 -1.9490000000e-04  3.6242000000e-03 -1.5986000000e-03  3.1670000000e-03 -9.8220000000e-04 -1.4697000000e-03 -2.9716000000e-03 -2.5418000000e-03  4.1339000000e-03 -2.1012000000e-03 -1.6235000000e-03 -3.1959000000e-03 -1.6045000000e-03  1.6295000000e-03 -9.3980000000e-04  3.7052000000e-03 -1.0620000000e-04
+
+JOB 60
+COORDS  1.2722220000e+00 -9.8959500000e-01 -1.8945310000e+00  5.7713700000e-01 -9.7741500000e-01 -1.2365480000e+00  1.0356130000e+00 -1.7087160000e+00 -2.4802900000e+00 -1.2641600000e+00  9.7632400000e-01  1.8892380000e+00 -1.1235560000e+00  1.6176020000e+00  2.5858180000e+00 -6.6947000000e-01  1.2473870000e+00  1.1898810000e+00
+ENERGY -1.526546613469e+02
+FORCES -3.8894000000e-03 -3.5683000000e-03  1.7820000000e-04  3.0687000000e-03  7.9380000000e-04 -2.7300000000e-03  1.0512000000e-03  2.9601000000e-03  2.3190000000e-03  3.0273000000e-03  4.3683000000e-03  5.2720000000e-04 -6.6520000000e-04 -2.6163000000e-03 -2.8582000000e-03 -2.5926000000e-03 -1.9376000000e-03  2.5637000000e-03
+
+JOB 61
+COORDS  2.3501690000e+00  7.4595200000e-01 -6.8081300000e-01  1.8624840000e+00  6.4036300000e-01 -1.4976640000e+00  1.7666620000e+00  1.2535750000e+00 -1.1683600000e-01 -2.2467230000e+00 -7.9822900000e-01  6.5569700000e-01 -2.1285350000e+00 -2.3577500000e-01  1.4211440000e+00 -3.1951920000e+00 -8.4241200000e-01  5.3450400000e-01
+ENERGY -1.526543357439e+02
+FORCES -5.0182000000e-03  9.9570000000e-04 -1.0836000000e-03  2.4154000000e-03  7.8370000000e-04  3.0688000000e-03  2.6324000000e-03 -1.6265000000e-03 -2.0008000000e-03 -3.6981000000e-03  1.5469000000e-03  2.9660000000e-03 -3.0340000000e-04 -1.9703000000e-03 -3.4114000000e-03  3.9719000000e-03  2.7060000000e-04  4.6100000000e-04
+
+JOB 62
+COORDS -1.3520400000e+00  2.0636750000e+00  8.6558000000e-02 -2.1255940000e+00  2.5898560000e+00 -1.1587500000e-01 -9.1188100000e-01  2.5439910000e+00  7.8783500000e-01  1.3747740000e+00 -2.1612630000e+00 -1.5968800000e-01  8.6344300000e-01 -1.3535260000e+00 -1.1137700000e-01  1.8527670000e+00 -2.1926340000e+00  6.6902800000e-01
+ENERGY -1.526550785154e+02
+FORCES -1.9913000000e-03  4.6174000000e-03  1.6836000000e-03  3.2560000000e-03 -2.0183000000e-03  9.9520000000e-04 -1.6087000000e-03 -2.3174000000e-03 -2.8208000000e-03 -7.2190000000e-04  3.5798000000e-03  3.2776000000e-03  2.8366000000e-03 -3.9491000000e-03  8.0200000000e-05 -1.7706000000e-03  8.7400000000e-05 -3.2158000000e-03
+
+JOB 63
+COORDS  2.0620030000e+00  6.1815700000e-01 -1.2771340000e+00  2.6800400000e+00  3.7524200000e-01 -5.8774700000e-01  2.1689500000e+00  1.5645450000e+00 -1.3727570000e+00 -2.1118450000e+00 -6.3462100000e-01  1.1747300000e+00 -1.3347660000e+00 -6.6304600000e-01  1.7329160000e+00 -2.8004730000e+00 -1.0406580000e+00  1.7011880000e+00
+ENERGY -1.526535093340e+02
+FORCES  2.6864000000e-03  3.0422000000e-03  2.1283000000e-03 -2.6465000000e-03  8.9540000000e-04 -2.6034000000e-03 -2.4740000000e-04 -3.9248000000e-03  4.3000000000e-04  7.4930000000e-04 -1.8264000000e-03  4.0647000000e-03 -3.3349000000e-03  1.1670000000e-04 -1.8419000000e-03  2.7932000000e-03  1.6969000000e-03 -2.1777000000e-03
+
+JOB 64
+COORDS  2.5429590000e+00  3.3448600000e-01 -3.6709100000e-01  2.1928230000e+00 -2.7601200000e-01  2.8169900000e-01  2.1499480000e+00  1.1772780000e+00 -1.4020800000e-01 -2.5225760000e+00 -3.1388000000e-01  2.6722600000e-01 -2.5841860000e+00 -1.6061300000e-01  1.2100650000e+00 -2.0113890000e+00 -1.1192540000e+00  1.8790800000e-01
+ENERGY -1.526539582668e+02
+FORCES -3.2730000000e-03  1.3477000000e-03  3.3244000000e-03  1.3394000000e-03  2.1694000000e-03 -2.5396000000e-03  1.9455000000e-03 -3.5279000000e-03 -7.2330000000e-04  1.1677000000e-03 -2.9991000000e-03  3.1935000000e-03  6.5430000000e-04 -5.1680000000e-04 -3.9173000000e-03 -1.8339000000e-03  3.5267000000e-03  6.6240000000e-04
+
+JOB 65
+COORDS -8.8906300000e-01  1.1891440000e+00 -2.2808030000e+00 -5.8131400000e-01  1.7578460000e+00 -2.9865640000e+00 -8.0156600000e-01  1.7201920000e+00 -1.4892450000e+00  8.6032900000e-01 -1.1971620000e+00  2.2415490000e+00  2.0829700000e-01 -1.5740850000e+00  2.8323240000e+00  1.5952260000e+00 -1.8096720000e+00  2.2730170000e+00
+ENERGY -1.526541726627e+02
+FORCES  1.9034000000e-03  4.2473000000e-03  9.3330000000e-04 -1.2678000000e-03 -2.3098000000e-03  2.7471000000e-03 -6.5980000000e-04 -1.7764000000e-03 -3.6424000000e-03  2.5630000000e-04 -4.3479000000e-03  2.1899000000e-03  2.7016000000e-03  1.6432000000e-03 -2.2805000000e-03 -2.9337000000e-03  2.5436000000e-03  5.2700000000e-05
+
+JOB 66
+COORDS  1.2607720000e+00  2.4192410000e+00  6.1733300000e-01  3.1172900000e-01  2.2979470000e+00  5.8838900000e-01  1.5766460000e+00  1.7084800000e+00  1.1752520000e+00 -1.2796220000e+00 -2.3431930000e+00 -6.1114400000e-01 -1.2359070000e+00 -2.6479730000e+00 -1.5174730000e+00 -4.3542700000e-01 -2.5905280000e+00 -2.3379600000e-01
+ENERGY -1.526545165277e+02
+FORCES -2.9908000000e-03 -3.4406000000e-03  2.0980000000e-03  4.1025000000e-03  7.5780000000e-04  2.2450000000e-04 -1.0242000000e-03  2.7824000000e-03 -2.2598000000e-03  3.5286000000e-03 -2.5955000000e-03 -2.5560000000e-03 -1.8680000000e-04  1.2088000000e-03  3.8039000000e-03 -3.4293000000e-03  1.2871000000e-03 -1.3107000000e-03
+
+JOB 67
+COORDS -3.4640600000e-01  2.7203430000e+00 -4.6537800000e-01 -1.9027400000e-01  2.3571580000e+00  4.0637400000e-01  5.1909000000e-01  2.9923950000e+00 -7.7055900000e-01  3.4486400000e-01 -2.7542160000e+00  4.0685200000e-01 -5.5306900000e-01 -2.6492450000e+00  9.2322000000e-02  4.1578900000e-01 -2.1418310000e+00  1.1390990000e+00
+ENERGY -1.526540186905e+02
+FORCES  4.4396000000e-03 -1.0180000000e-04  2.0387000000e-03 -8.1380000000e-04  1.1356000000e-03 -3.4371000000e-03 -3.6304000000e-03 -1.0639000000e-03  1.3714000000e-03 -3.6289000000e-03  2.8185000000e-03  1.4263000000e-03  3.7633000000e-03 -5.3530000000e-04  1.4923000000e-03 -1.2970000000e-04 -2.2532000000e-03 -2.8916000000e-03
+
+JOB 68
+COORDS  2.0552310000e+00 -1.0507000000e-01 -1.8340220000e+00  2.7370390000e+00  2.9671000000e-02 -2.4922130000e+00  2.5327400000e+00 -2.0090800000e-01 -1.0099880000e+00 -2.1631060000e+00  8.3805000000e-02  1.7886350000e+00 -2.0761180000e+00  9.1869200000e-01  2.2486660000e+00 -1.3715740000e+00 -4.0176900000e-01  2.0208570000e+00
+ENERGY -1.526536195612e+02
+FORCES  4.6855000000e-03  1.7070000000e-04  4.1100000000e-04 -2.7895000000e-03 -5.4520000000e-04  2.7471000000e-03 -2.0586000000e-03  3.8090000000e-04 -3.1388000000e-03  3.7252000000e-03  1.4630000000e-03  2.3231000000e-03 -3.7500000000e-04 -3.4248000000e-03 -1.7239000000e-03 -3.1877000000e-03  1.9554000000e-03 -6.1850000000e-04
+
+JOB 69
+COORDS -1.2444710000e+00 -1.9095940000e+00  1.8429290000e+00 -5.9009600000e-01 -1.2764340000e+00  1.5477460000e+00 -9.9902800000e-01 -2.7275970000e+00  1.4106550000e+00  1.1578450000e+00  1.8839190000e+00 -1.8378120000e+00  9.1144600000e-01  2.5459370000e+00 -1.1918620000e+00  2.1147680000e+00  1.9040430000e+00 -1.8490410000e+00
+ENERGY -1.526544741532e+02
+FORCES  3.6198000000e-03 -6.5940000000e-04 -3.4635000000e-03 -2.6214000000e-03 -2.5854000000e-03  1.6911000000e-03 -9.8590000000e-04  3.1771000000e-03  1.9379000000e-03  2.8939000000e-03  3.3291000000e-03  2.1336000000e-03  1.0803000000e-03 -2.9955000000e-03 -2.4966000000e-03 -3.9868000000e-03 -2.6600000000e-04  1.9760000000e-04
+
+JOB 70
+COORDS -2.7172210000e+00 -1.4672330000e+00 -1.9566700000e-01 -1.7678590000e+00 -1.4605290000e+00 -7.3608000000e-02 -2.8477180000e+00 -1.1283320000e+00 -1.0813010000e+00  2.6874230000e+00  1.4258080000e+00  1.8811900000e-01  2.5218440000e+00  9.5718900000e-01  1.0061720000e+00  2.4275410000e+00  2.3285480000e+00  3.7184100000e-01
+ENERGY -1.526544493839e+02
+FORCES  3.4564000000e-03  1.3747000000e-03 -3.3801000000e-03 -3.9579000000e-03 -5.0400000000e-05 -2.0120000000e-04  3.9190000000e-04 -1.3773000000e-03  3.6500000000e-03 -1.3310000000e-03  2.1045000000e-03  4.2801000000e-03  4.4390000000e-04  1.7401000000e-03 -3.5364000000e-03  9.9680000000e-04 -3.7917000000e-03 -8.1240000000e-04
+
+JOB 71
+COORDS -1.5088490000e+00 -2.5525650000e+00 -6.4777100000e-01 -1.5088680000e+00 -3.2391200000e+00  1.9218000000e-02 -2.4148820000e+00 -2.5157810000e+00 -9.5434000000e-01  1.5084490000e+00  2.5814440000e+00  6.1341000000e-01  1.8926750000e+00  2.5391770000e+00  1.4890900000e+00  2.2421040000e+00  2.8028500000e+00  3.9859000000e-02
+ENERGY -1.526536274966e+02
+FORCES -3.7143000000e-03 -2.2972000000e-03  1.5597000000e-03  4.0900000000e-05  2.7072000000e-03 -2.7286000000e-03  3.6800000000e-03 -2.9360000000e-04  1.2006000000e-03  4.5082000000e-03  3.3010000000e-04  1.0768000000e-03 -1.5576000000e-03  2.9300000000e-04 -3.4907000000e-03 -2.9572000000e-03 -7.3950000000e-04  2.3821000000e-03
+
+JOB 72
+COORDS  1.4272180000e+00 -2.7436850000e+00 -1.3707500000e-01  2.0212640000e+00 -3.4870860000e+00 -3.3653000000e-02  1.6269680000e+00 -2.1719390000e+00  6.0416500000e-01 -1.4623130000e+00  2.7446990000e+00  2.7959000000e-02 -1.3416630000e+00  2.0879090000e+00  7.1374500000e-01 -1.6516270000e+00  3.5545130000e+00  5.0187200000e-01
+ENERGY -1.526537779038e+02
+FORCES  3.3845000000e-03 -6.9930000000e-04  3.2290000000e-03 -2.4551000000e-03  3.0432000000e-03 -3.8480000000e-04 -9.8730000000e-04 -2.2895000000e-03 -2.8695000000e-03 -4.1040000000e-04  4.6120000000e-04  4.5864000000e-03 -3.5000000000e-04  2.7934000000e-03 -2.6357000000e-03  8.1830000000e-04 -3.3089000000e-03 -1.9254000000e-03
+
+JOB 73
+COORDS  2.8158200000e-01  1.9878390000e+00  2.4501390000e+00  3.9054800000e-01  1.5093300000e+00  3.2719580000e+00  1.1637370000e+00  2.0361070000e+00  2.0817560000e+00 -3.0206200000e-01 -2.0096930000e+00 -2.5024570000e+00 -1.0869070000e+00 -1.5109560000e+00 -2.7294170000e+00 -5.7546000000e-02 -1.6902470000e+00 -1.6338960000e+00
+ENERGY -1.526544709525e+02
+FORCES  4.1559000000e-03 -1.3702000000e-03  2.2403000000e-03 -4.6680000000e-04  1.8666000000e-03 -3.5021000000e-03 -3.7383000000e-03 -4.0580000000e-04  1.3506000000e-03 -2.3975000000e-03  3.4915000000e-03  2.7179000000e-03  3.2088000000e-03 -2.1183000000e-03  7.9260000000e-04 -7.6210000000e-04 -1.4638000000e-03 -3.5993000000e-03
+
+JOB 74
+COORDS -2.4920750000e+00 -1.0148000000e+00 -2.1414240000e+00 -2.5142980000e+00 -1.6702100000e+00 -2.8386870000e+00 -2.1856640000e+00 -1.4938430000e+00 -1.3714490000e+00  2.4534290000e+00  1.0603800000e+00  2.1882880000e+00  3.0222290000e+00  5.7184700000e-01  1.5932810000e+00  2.3153640000e+00  1.9011420000e+00  1.7520660000e+00
+ENERGY -1.526542620639e+02
+FORCES  1.0385000000e-03 -4.6579000000e-03  4.6070000000e-04  1.4580000000e-04  2.6918000000e-03  2.8078000000e-03 -1.2210000000e-03  1.9311000000e-03 -3.2993000000e-03  1.7175000000e-03  1.6218000000e-03 -4.2673000000e-03 -2.3298000000e-03  1.8754000000e-03  2.4541000000e-03  6.4900000000e-04 -3.4623000000e-03  1.8440000000e-03
+
+JOB 75
+COORDS -3.2547860000e+00  1.3297340000e+00 -4.1012100000e-01 -3.4130720000e+00  1.4596480000e+00  5.2491900000e-01 -4.1270180000e+00  1.3360930000e+00 -8.0433300000e-01  3.2775810000e+00 -1.3797050000e+00  3.7164100000e-01  3.6888970000e+00 -1.1202280000e+00  1.1960940000e+00  3.5510470000e+00 -7.0926400000e-01 -2.5442300000e-01
+ENERGY -1.526539457843e+02
+FORCES -4.1518000000e-03  3.5030000000e-04  2.2530000000e-03  6.1070000000e-04 -4.1660000000e-04 -3.8169000000e-03  3.5524000000e-03  2.6900000000e-05  1.5906000000e-03  2.5558000000e-03  3.9326000000e-03  6.7620000000e-04 -1.6363000000e-03 -1.1006000000e-03 -3.3001000000e-03 -9.3080000000e-04 -2.7925000000e-03  2.5972000000e-03
+
+JOB 76
+COORDS -2.2250830000e+00  1.1659370000e+00 -2.6919080000e+00 -2.2949040000e+00  7.1603800000e-01 -1.8499180000e+00 -1.2906940000e+00  1.1447880000e+00 -2.8985510000e+00  2.1639230000e+00 -1.1646000000e+00  2.5912100000e+00  2.9836710000e+00 -9.4744300000e-01  3.0351550000e+00  1.4803110000e+00 -9.0195600000e-01  3.2075900000e+00
+ENERGY -1.526543848906e+02
+FORCES  3.6920000000e-03 -2.0641000000e-03  2.6289000000e-03  1.1830000000e-04  1.9130000000e-03 -3.4022000000e-03 -3.8686000000e-03  1.8980000000e-04  7.4380000000e-04  7.3700000000e-04  1.8507000000e-03  4.5144000000e-03 -3.3851000000e-03 -8.6290000000e-04 -1.8332000000e-03  2.7063000000e-03 -1.0265000000e-03 -2.6516000000e-03
+
+JOB 77
+COORDS -6.7485100000e-01  3.0476570000e+00  2.2956340000e+00 -1.1735060000e+00  3.5044830000e+00  2.9730450000e+00 -6.8373600000e-01  2.1302610000e+00  2.5686500000e+00  7.1988800000e-01 -2.9752090000e+00 -2.3935620000e+00  9.2853700000e-01 -3.0161320000e+00 -1.4602760000e+00  2.3800800000e-01 -3.7837850000e+00 -2.5674220000e+00
+ENERGY -1.526538698769e+02
+FORCES -2.0987000000e-03 -1.8420000000e-03  3.7920000000e-03  2.0459000000e-03 -1.8825000000e-03 -2.7539000000e-03  6.3600000000e-05  3.6903000000e-03 -1.0632000000e-03 -1.0795000000e-03 -3.4005000000e-03  3.0404000000e-03 -8.9270000000e-04  1.3460000000e-04 -3.7525000000e-03  1.9614000000e-03  3.3000000000e-03  7.3720000000e-04
+
+JOB 78
+COORDS -9.3180300000e-01  1.7822290000e+00 -3.4185840000e+00 -6.0139600000e-01  2.4764160000e+00 -2.8483500000e+00 -6.5358400000e-01  9.7048500000e-01 -2.9944410000e+00  8.9445200000e-01 -1.7147720000e+00  3.3748480000e+00  1.6320980000e+00 -2.3234820000e+00  3.3350860000e+00  1.5098600000e-01 -2.2164990000e+00  3.0405440000e+00
+ENERGY -1.526542229962e+02
+FORCES  2.5243000000e-03 -4.0450000000e-04  4.1681000000e-03 -1.3651000000e-03 -2.8197000000e-03 -2.4027000000e-03 -1.1736000000e-03  3.2164000000e-03 -1.8051000000e-03 -2.4300000000e-05 -4.6581000000e-03 -1.2647000000e-03 -3.0274000000e-03  2.5324000000e-03  7.4200000000e-05  3.0661000000e-03  2.1335000000e-03  1.2303000000e-03
+
+JOB 79
+COORDS -2.5025030000e+00  9.9613200000e-01  2.7960200000e+00 -3.1684670000e+00  3.9252400000e-01  2.4668080000e+00 -2.4060460000e+00  7.6623800000e-01  3.7201830000e+00  2.5381500000e+00 -1.0120690000e+00 -2.8440760000e+00  3.2594670000e+00 -4.6724200000e-01 -2.5292790000e+00  1.8014010000e+00 -4.0736700000e-01 -2.9322100000e+00
+ENERGY -1.526542622143e+02
+FORCES -2.3328000000e-03 -3.4830000000e-03  2.4854000000e-03  2.7102000000e-03  2.5081000000e-03  1.3143000000e-03 -3.9830000000e-04  9.6860000000e-04 -3.7665000000e-03 -1.4280000000e-04  4.7778000000e-03  1.0802000000e-03 -2.8621000000e-03 -2.2537000000e-03 -1.3440000000e-03  3.0257000000e-03 -2.5178000000e-03  2.3060000000e-04
+
+JOB 80
+COORDS  4.6481400000e-01  4.1261110000e+00 -5.0205300000e-01 -4.8676100000e-01  4.0858510000e+00 -4.0657600000e-01  6.3864100000e-01  3.7151260000e+00 -1.3488750000e+00 -4.4241500000e-01 -4.0857750000e+00  4.7585200000e-01 -9.5959000000e-01 -4.5938730000e+00  1.1008310000e+00  3.6731900000e-01 -3.8821230000e+00  9.4392100000e-01
+ENERGY -1.526542387237e+02
+FORCES -3.2173000000e-03 -1.9456000000e-03 -3.1065000000e-03  3.8798000000e-03  2.3430000000e-04 -3.5710000000e-04 -6.6680000000e-04  1.7425000000e-03  3.4531000000e-03  1.2443000000e-03 -1.2570000000e-03  4.5113000000e-03  2.0852000000e-03  2.0758000000e-03 -2.5623000000e-03 -3.3254000000e-03 -8.5000000000e-04 -1.9385000000e-03
+
+JOB 81
+COORDS  2.9824610000e+00 -1.8170290000e+00  2.5615970000e+00  3.2324930000e+00 -1.1918750000e+00  1.8812310000e+00  3.6877010000e+00 -2.4642260000e+00  2.5637290000e+00 -3.0011960000e+00  1.8509390000e+00 -2.5630380000e+00 -2.7611700000e+00  1.1127200000e+00 -2.0029910000e+00 -3.9274400000e+00  2.0031550000e+00 -2.3755960000e+00
+ENERGY -1.526542208628e+02
+FORCES  3.9897000000e-03 -6.1900000000e-05 -2.7396000000e-03 -1.0788000000e-03 -2.5800000000e-03  2.7723000000e-03 -2.8952000000e-03  2.6281000000e-03 -1.1700000000e-05 -2.8320000000e-03 -2.4090000000e-03  3.1165000000e-03 -9.5000000000e-04  3.0303000000e-03 -2.3444000000e-03  3.7662000000e-03 -6.0760000000e-04 -7.9310000000e-04
+
+JOB 82
+COORDS  2.3136960000e+00 -2.9958820000e+00 -2.0847170000e+00  2.4085090000e+00 -2.6637790000e+00 -2.9774380000e+00  3.1515020000e+00 -3.4184350000e+00 -1.8956100000e+00 -2.3164890000e+00  3.0218360000e+00  2.0843840000e+00 -3.0154600000e+00  3.4873530000e+00  2.5436930000e+00 -2.4209070000e+00  2.1084800000e+00  2.3510500000e+00
+ENERGY -1.526540976926e+02
+FORCES  3.8165000000e-03 -2.5070000000e-04 -2.8857000000e-03 -3.7900000000e-04 -1.4199000000e-03  3.6278000000e-03 -3.4246000000e-03  1.6839000000e-03 -7.5960000000e-04 -3.2137000000e-03 -1.9659000000e-03  2.9047000000e-03  2.8416000000e-03 -1.8577000000e-03 -1.8675000000e-03  3.5930000000e-04  3.8103000000e-03 -1.0196000000e-03
+
+JOB 83
+COORDS -3.1805460000e+00 -1.3909260000e+00 -2.8332670000e+00 -3.8265930000e+00 -6.8542800000e-01 -2.7996900000e+00 -2.3640810000e+00 -9.8257200000e-01 -2.5454070000e+00  3.1542140000e+00  1.3887790000e+00  2.7863800000e+00  3.7448880000e+00  7.1219500000e-01  2.4553670000e+00  2.9230680000e+00  1.0953360000e+00  3.6676830000e+00
+ENERGY -1.526542341714e+02
+FORCES  7.2760000000e-04  4.6161000000e-03  1.3390000000e-03  2.5954000000e-03 -2.9001000000e-03 -1.5430000000e-04 -3.3422000000e-03 -1.7311000000e-03 -1.2046000000e-03  1.5580000000e-03 -3.9529000000e-03  2.3339000000e-03 -2.4547000000e-03  2.7664000000e-03  1.3090000000e-03  9.1590000000e-04  1.2016000000e-03 -3.6230000000e-03
+
+JOB 84
+COORDS -9.3352000000e-02 -3.2863550000e+00  3.1312520000e+00 -2.8762400000e-01 -3.3915130000e+00  2.1998920000e+00 -8.0649900000e-01 -3.7423630000e+00  3.5781400000e+00  1.5854500000e-01  3.3160950000e+00 -3.0393800000e+00 -7.2137700000e-01  3.3914040000e+00 -3.4085650000e+00  7.3184700000e-01  3.2302700000e+00 -3.8010820000e+00
+ENERGY -1.526539971289e+02
+FORCES -3.6901000000e-03 -2.1603000000e-03 -2.0333000000e-03  7.7490000000e-04  3.3040000000e-04  3.8237000000e-03  2.9066000000e-03  1.8301000000e-03 -1.8084000000e-03 -1.2046000000e-03  1.7400000000e-05 -4.5855000000e-03  3.5772000000e-03 -3.4500000000e-04  1.5044000000e-03 -2.3640000000e-03  3.2740000000e-04  3.0992000000e-03
+
+JOB 85
+COORDS  3.1780720000e+00 -3.3758080000e+00  5.5838200000e-01  3.4158460000e+00 -4.2617490000e+00  8.3188400000e-01  3.4023970000e+00 -3.3434090000e+00 -3.7159700000e-01 -3.2104350000e+00  3.4649750000e+00 -4.7341400000e-01 -3.2353650000e+00  2.5086150000e+00 -4.4203600000e-01 -3.0544750000e+00  3.6708670000e+00 -1.3951070000e+00
+ENERGY -1.526540805781e+02
+FORCES  1.9690000000e-03 -3.4924000000e-03 -2.6160000000e-03 -9.9240000000e-04  3.6166000000e-03 -1.1400000000e-03 -9.7070000000e-04 -1.1870000000e-04  3.7697000000e-03  6.2750000000e-04 -3.1262000000e-03 -3.5581000000e-03  2.8800000000e-05  3.9356000000e-03 -1.8280000000e-04 -6.6230000000e-04 -8.1490000000e-04  3.7271000000e-03
+
+JOB 86
+COORDS  4.5630260000e+00  3.8679300000e-01  2.6740940000e+00  4.5039530000e+00  4.1461200000e-01  1.7191240000e+00  3.6697820000e+00  2.0241100000e-01  2.9645250000e+00 -4.5597240000e+00 -3.8960500000e-01 -2.5911700000e+00 -4.4724180000e+00 -8.4452700000e-01 -3.4288190000e+00 -3.8395390000e+00  2.4088500000e-01 -2.5842830000e+00
+ENERGY -1.526540366566e+02
+FORCES -3.8872000000e-03 -6.6430000000e-04 -2.6581000000e-03  2.3170000000e-04 -9.9600000000e-05  3.8683000000e-03  3.6550000000e-03  7.6930000000e-04 -1.2206000000e-03  3.1978000000e-03  7.2950000000e-04 -3.4567000000e-03 -3.1770000000e-04  1.8600000000e-03  3.4456000000e-03 -2.8795000000e-03 -2.5949000000e-03  2.1500000000e-05
+
+JOB 87
+COORDS -8.6702000000e-02 -2.8476240000e+00  4.5264030000e+00  4.3579400000e-01 -3.6456350000e+00  4.6064590000e+00 -9.1845400000e-01 -3.1416160000e+00  4.1549340000e+00  8.8767000000e-02  2.9524620000e+00 -4.5499280000e+00 -4.4801900000e-01  2.4023310000e+00 -3.9794460000e+00  9.8092900000e-01  2.6288600000e+00 -4.4251900000e+00
+ENERGY -1.526541090158e+02
+FORCES -1.2791000000e-03 -4.4885000000e-03 -1.0842000000e-03 -2.1282000000e-03  3.2704000000e-03 -3.6690000000e-04  3.4105000000e-03  1.2231000000e-03  1.4610000000e-03  1.4702000000e-03 -3.5348000000e-03  2.9035000000e-03  2.1672000000e-03  2.2230000000e-03 -2.3666000000e-03 -3.6406000000e-03  1.3068000000e-03 -5.4680000000e-04
+
+JOB 88
+COORDS -7.7845600000e-01 -3.0759510000e+00 -4.3566680000e+00  5.6243000000e-02 -2.7494760000e+00 -4.0206280000e+00 -5.8244100000e-01 -3.3626080000e+00 -5.2486540000e+00  6.8841700000e-01  3.0546130000e+00  4.4506060000e+00  9.6846000000e-01  2.4965740000e+00  3.7250720000e+00  9.2202600000e-01  3.9411670000e+00  4.1755050000e+00
+ENERGY -1.526540294041e+02
+FORCES  4.1807000000e-03  1.0490000000e-04 -2.2977000000e-03 -3.3983000000e-03 -1.2899000000e-03 -1.3445000000e-03 -7.8890000000e-04  1.1887000000e-03  3.6499000000e-03  2.0370000000e-03  1.3309000000e-03 -4.0895000000e-03 -1.0998000000e-03  2.2834000000e-03  2.9589000000e-03 -9.3070000000e-04 -3.6181000000e-03  1.1229000000e-03
+
+JOB 89
+COORDS -1.0969130000e+00 -5.5393110000e+00  2.4637450000e+00 -1.8753630000e+00 -5.9646050000e+00  2.8234290000e+00 -4.9511800000e-01 -6.2595760000e+00  2.2758780000e+00  1.1307800000e+00  5.5656020000e+00 -2.4271080000e+00  1.2886500000e+00  5.4762940000e+00 -3.3669660000e+00  4.7046900000e-01  6.2552400000e+00 -2.3591380000e+00
+ENERGY -1.526540056847e+02
+FORCES -6.9910000000e-04 -4.6449000000e-03  7.0000000000e-04  3.1693000000e-03  1.7280000000e-03 -1.4692000000e-03 -2.4660000000e-03  2.9250000000e-03  7.6690000000e-04 -2.0742000000e-03  2.3996000000e-03 -3.5375000000e-03 -6.3360000000e-04  3.8550000000e-04  3.8257000000e-03  2.7036000000e-03 -2.7931000000e-03 -2.8590000000e-04
+
+JOB 0
+COORDS -9.1736000000e-02  1.2488030000e+00 -7.5580000000e-03  6.5373800000e-01  1.8453420000e+00 -7.5685000000e-02 -8.5441300000e-01  1.8238860000e+00  5.4365000000e-02  1.0627600000e-01 -1.3512630000e+00 -4.9210000000e-02 -2.0101000000e-02 -4.0437600000e-01  1.1329000000e-02  2.0772000000e-02 -1.6628810000e+00  8.5179800000e-01
+ENERGY -1.526589238747e+02
+FORCES  1.4027000000e-03 -1.0042800000e-02 -8.0000000000e-04 -5.2489000000e-03 -1.1411000000e-03  6.7530000000e-04  5.0651000000e-03 -1.4028000000e-03  1.3000000000e-06 -1.6003000000e-03  1.7656100000e-02  1.8260000000e-03  4.8570000000e-04 -7.3336000000e-03  3.5900000000e-04 -1.0440000000e-04  2.2641000000e-03 -2.0616000000e-03
+
+JOB 1
+COORDS -1.1962370000e+00  3.9488100000e-01 -2.3996200000e-01 -1.0779320000e+00  1.2163000000e+00  2.3701500000e-01 -1.5227390000e+00  6.6130600000e-01 -1.0994070000e+00  1.2624200000e+00 -4.8214400000e-01  2.3342000000e-01  3.6593700000e-01 -7.0114300000e-01 -2.0722000000e-02  1.1624520000e+00  1.2883400000e-01  9.6345000000e-01
+ENERGY -1.526548690103e+02
+FORCES  9.6862000000e-03  2.5793000000e-03 -2.5910000000e-04 -3.6040000000e-04 -3.8783000000e-03 -1.4767000000e-03  1.8537000000e-03 -9.7260000000e-04  4.1971000000e-03 -1.7101700000e-02  6.6632000000e-03 -1.4746000000e-03  5.1559000000e-03 -4.3475000000e-03  3.9330000000e-04  7.6630000000e-04 -4.4100000000e-05 -1.3800000000e-03
+
+JOB 2
+COORDS  2.5050700000e-01  6.4103500000e-01 -1.0889090000e+00 -6.8897500000e-01  8.2393900000e-01 -1.1012160000e+00  6.3545600000e-01  1.3255600000e+00 -1.6361490000e+00 -2.0202400000e-01 -6.8524100000e-01  1.1784690000e+00  2.5327100000e-01 -3.6367300000e-01  4.0030900000e-01 -9.9710400000e-01 -1.0959430000e+00  8.3875800000e-01
+ENERGY -1.526575470102e+02
+FORCES -2.0690000000e-03  1.2900000000e-04  5.7218000000e-03  4.7890000000e-03 -2.1076000000e-03 -4.3710000000e-04 -3.7290000000e-03 -2.4853000000e-03  2.3521000000e-03  3.5677000000e-03  4.9654000000e-03 -1.2730900000e-02 -4.1558000000e-03 -3.5278000000e-03  4.9908000000e-03  1.5971000000e-03  3.0262000000e-03  1.0330000000e-04
+
+JOB 3
+COORDS  4.4019200000e-01  1.0973380000e+00 -5.0125500000e-01 -9.4174000000e-02  1.8430790000e+00 -7.7430300000e-01  1.2049950000e+00  1.4910590000e+00 -8.1385000000e-02 -5.0582100000e-01 -1.1938510000e+00  5.2399100000e-01 -3.8131700000e-01 -2.4500700000e-01  5.4461600000e-01  2.5766000000e-01 -1.5258660000e+00  5.1662000000e-02
+ENERGY -1.526576200429e+02
+FORCES -1.3715000000e-03 -1.4213000000e-03  4.6740000000e-04  2.9752000000e-03 -3.9221000000e-03  2.5769000000e-03 -4.7070000000e-03 -2.9478000000e-03 -1.6714000000e-03  7.9424000000e-03  1.3255600000e-02 -9.0732000000e-03 -3.4288000000e-03 -3.5393000000e-03  5.5287000000e-03 -1.4103000000e-03 -1.4250000000e-03  2.1717000000e-03
+
+JOB 4
+COORDS  7.1939500000e-01 -8.2584300000e-01 -7.3812100000e-01  1.1507160000e+00 -1.5257890000e+00 -2.4794700000e-01  1.3044260000e+00 -6.5384600000e-01 -1.4759470000e+00 -7.6443700000e-01  9.1248400000e-01  7.8010800000e-01 -1.1084000000e-01  3.2734600000e-01  3.9715100000e-01 -1.5893690000e+00  4.3283100000e-01  7.0491800000e-01
+ENERGY -1.526602183531e+02
+FORCES  8.3880000000e-04  2.6387000000e-03 -4.5730000000e-04 -2.4549000000e-03  4.5606000000e-03 -2.2056000000e-03 -2.2091000000e-03 -2.5336000000e-03  3.8975000000e-03  5.2336000000e-03 -9.7996000000e-03 -9.3145000000e-03 -3.4862000000e-03  3.9616000000e-03  7.3843000000e-03  2.0777000000e-03  1.1722000000e-03  6.9560000000e-04
+
+JOB 5
+COORDS  6.6937700000e-01  1.0977510000e+00  2.4415800000e-01  9.4087300000e-01  1.7542180000e+00 -3.9738100000e-01  9.9131400000e-01  1.4325900000e+00  1.0811000000e+00 -7.6558900000e-01 -1.1684480000e+00 -2.8117900000e-01 -2.8366900000e-01 -3.5384300000e-01 -1.3833800000e-01 -1.7556200000e-01 -1.8543120000e+00  3.1377000000e-02
+ENERGY -1.526606632023e+02
+FORCES -2.0611000000e-03 -2.2542000000e-03  8.0400000000e-05 -6.9110000000e-04 -2.4959000000e-03  4.3559000000e-03 -3.1370000000e-04 -3.8460000000e-04 -4.8928000000e-03  9.0018000000e-03  9.8549000000e-03  3.4331000000e-03 -4.5213000000e-03 -6.7891000000e-03 -2.6461000000e-03 -1.4147000000e-03  2.0690000000e-03 -3.3070000000e-04
+
+JOB 6
+COORDS -1.7145600000e-01 -5.8731100000e-01 -1.2065090000e+00 -7.2071300000e-01 -1.0260650000e+00 -5.5686000000e-01 -5.5642000000e-02 -1.2363030000e+00 -1.9005030000e+00  2.4358400000e-01  6.7529000000e-01  1.2547520000e+00 -7.0334100000e-01  5.7109800000e-01  1.3480760000e+00  4.3172200000e-01  3.7402700000e-01  3.6588900000e-01
+ENERGY -1.526572084017e+02
+FORCES -1.6330000000e-04 -3.3726000000e-03  7.6960000000e-04  3.5865000000e-03  4.7369000000e-03 -1.5509000000e-03 -1.8498000000e-03  2.3461000000e-03  3.8607000000e-03 -1.9801000000e-03 -1.7293000000e-03 -9.9477000000e-03  2.8747000000e-03 -2.0510000000e-03 -7.8400000000e-04 -2.4679000000e-03  6.9900000000e-05  7.6524000000e-03
+
+JOB 7
+COORDS -4.0521400000e-01  1.1260050000e+00  6.2324600000e-01 -3.9486000000e-02  1.7689380000e+00  1.5701000000e-02 -1.2498420000e+00  1.4942240000e+00  8.8257100000e-01  4.8858000000e-01 -1.1589190000e+00 -6.2648200000e-01  1.2384600000e-01 -2.0380220000e+00 -7.2835700000e-01 -1.8002200000e-01 -6.7657500000e-01 -1.4012100000e-01
+ENERGY -1.526599974708e+02
+FORCES  2.0824000000e-03  3.1754000000e-03 -3.4539000000e-03 -3.1454000000e-03 -2.0798000000e-03  3.7447000000e-03  3.8375000000e-03 -2.4476000000e-03 -1.8998000000e-03 -4.4099000000e-03  6.1311000000e-03  5.3363000000e-03 -2.9230000000e-04  3.9698000000e-03  1.4352000000e-03  1.9277000000e-03 -8.7489000000e-03 -5.1625000000e-03
+
+JOB 8
+COORDS  9.0858700000e-01  9.2043000000e-01 -6.1670000000e-01  1.4256310000e+00  6.2240600000e-01 -1.3650840000e+00  3.7719700000e-01  1.6191200000e-01 -3.7481900000e-01 -8.6732400000e-01 -8.5913700000e-01  5.9901900000e-01 -9.6823800000e-01 -1.5671800000e+00  1.2351980000e+00 -1.5320130000e+00 -2.1672800000e-01  8.4747200000e-01
+ENERGY -1.526611997838e+02
+FORCES -4.4032000000e-03 -8.4994000000e-03  2.6876000000e-03 -1.9162000000e-03 -2.0490000000e-04  2.7009000000e-03  3.7290000000e-03  7.6280000000e-03 -5.0777000000e-03  4.8470000000e-04  1.4818000000e-03  2.9204000000e-03 -1.2859000000e-03  3.5880000000e-03 -2.2765000000e-03  3.3916000000e-03 -3.9935000000e-03 -9.5460000000e-04
+
+JOB 9
+COORDS  1.2407020000e+00  2.9061200000e-01  4.8047700000e-01  1.9404700000e+00  6.1559300000e-01 -8.6042000000e-02  1.1192250000e+00  9.8119700000e-01  1.1320660000e+00 -1.3224220000e+00 -4.0230500000e-01 -4.8220600000e-01 -1.3361240000e+00  3.3975400000e-01 -1.0866840000e+00 -5.0906800000e-01 -2.9513100000e-01  1.0947000000e-02
+ENERGY -1.526598574019e+02
+FORCES  8.4320000000e-04  2.3349000000e-03 -2.4470000000e-03 -3.2040000000e-03 -2.4050000000e-04  3.6093000000e-03 -3.0660000000e-04 -3.4523000000e-03 -4.3879000000e-03  1.2233500000e-02  4.7284000000e-03  1.7146000000e-03 -5.6990000000e-04 -1.7943000000e-03  1.2869000000e-03 -8.9962000000e-03 -1.5762000000e-03  2.2410000000e-04
+
+JOB 10
+COORDS -6.4378500000e-01  5.5247700000e-01 -1.0970720000e+00 -8.5521100000e-01 -2.0965000000e-02 -1.8337500000e+00  8.0875000000e-02  1.0920510000e+00 -1.4132360000e+00  6.2460100000e-01 -5.9405700000e-01  1.1462260000e+00  1.2403100000e-01 -3.4821800000e-01  1.9241880000e+00  8.0170700000e-01  2.3552100000e-01  7.0275500000e-01
+ENERGY -1.526515395562e+02
+FORCES  2.2087000000e-03 -5.2812000000e-03 -1.9099000000e-03  4.6570000000e-04  3.3416000000e-03  2.5270000000e-03 -1.6954000000e-03 -2.9778000000e-03  4.8764000000e-03 -7.1157000000e-03  6.6017000000e-03 -5.3641000000e-03  2.0036000000e-03 -1.1563000000e-03 -2.5279000000e-03  4.1330000000e-03 -5.2800000000e-04  2.3985000000e-03
+
+JOB 11
+COORDS  8.5591100000e-01 -1.1609630000e+00 -2.9827000000e-02  1.2659180000e+00 -7.4781900000e-01 -7.8972000000e-01  6.5690000000e-03 -1.4641590000e+00 -3.5064100000e-01 -8.4696100000e-01  1.1904590000e+00  3.8886000000e-02 -2.2971500000e-01  4.6120000000e-01  9.7374000000e-02 -1.1870410000e+00  1.2889370000e+00  9.2820000000e-01
+ENERGY -1.526591334439e+02
+FORCES -1.5090000000e-04 -2.7700000000e-03 -5.8827000000e-03 -4.2671000000e-03 -1.6680000000e-04  5.5551000000e-03  4.0295000000e-03  5.7616000000e-03  3.4155000000e-03  6.4262000000e-03 -6.7066000000e-03  5.2760000000e-03 -6.9769000000e-03  4.7841000000e-03 -5.3014000000e-03  9.3920000000e-04 -9.0240000000e-04 -3.0625000000e-03
+
+JOB 12
+COORDS -1.3237790000e+00  6.1010700000e-01  4.8748000000e-02 -4.1557100000e-01  3.3802300000e-01  1.8050800000e-01 -1.6119130000e+00  9.1009000000e-01  9.1085000000e-01  1.2308070000e+00 -5.7351200000e-01 -8.8759000000e-02  1.9865040000e+00 -2.8704100000e-01 -6.0167900000e-01  1.4624840000e+00 -1.4531810000e+00  2.0913300000e-01
+ENERGY -1.526611244997e+02
+FORCES  8.9245000000e-03 -3.4106000000e-03  1.3883000000e-03 -8.6757000000e-03  4.8636000000e-03  1.5225000000e-03  1.9028000000e-03 -1.6077000000e-03 -2.3580000000e-03  2.1300000000e-04 -1.5410000000e-03 -1.6086000000e-03 -2.7761000000e-03 -2.5695000000e-03  2.7593000000e-03  4.1150000000e-04  4.2653000000e-03 -1.7034000000e-03
+
+JOB 13
+COORDS  1.2050210000e+00  6.2747400000e-01 -5.6668600000e-01  1.5986790000e+00  1.2197200000e+00  7.4024000000e-02  4.0622300000e-01  3.1273200000e-01 -1.4349700000e-01 -1.1814460000e+00 -5.9700400000e-01  4.4450800000e-01 -4.9978900000e-01 -1.2591330000e+00  5.5923100000e-01 -1.7324580000e+00 -6.8253100000e-01  1.2225210000e+00
+ENERGY -1.526586900160e+02
+FORCES -8.1013000000e-03  1.1833000000e-03  4.8329000000e-03 -1.5360000000e-03 -2.2981000000e-03 -1.6848000000e-03  9.3725000000e-03 -3.6569000000e-03 -1.8257000000e-03 -1.0518000000e-03 -2.6420000000e-03  3.3379000000e-03 -1.5736000000e-03  8.1680000000e-03 -9.7460000000e-04  2.8901000000e-03 -7.5430000000e-04 -3.6856000000e-03
+
+JOB 14
+COORDS  1.3548190000e+00 -1.6032700000e-01  4.5135700000e-01  1.6552980000e+00 -8.7204500000e-01 -1.1379900000e-01  1.4334400000e+00  6.2531800000e-01 -8.9765000000e-02 -1.3836360000e+00  1.6644200000e-01 -4.6425700000e-01 -2.0514190000e+00 -5.8426000000e-02  1.8361100000e-01 -5.7289000000e-01  2.3357300000e-01  4.0139000000e-02
+ENERGY -1.526595134883e+02
+FORCES  2.9378000000e-03 -2.4278000000e-03 -5.9657000000e-03 -6.1340000000e-04  3.9378000000e-03  2.9806000000e-03 -4.9212000000e-03 -4.5950000000e-03  3.4087000000e-03  6.2903000000e-03 -2.8100000000e-03  6.9927000000e-03  2.5978000000e-03  4.9960000000e-04 -1.9146000000e-03 -6.2914000000e-03  5.3954000000e-03 -5.5018000000e-03
+
+JOB 15
+COORDS -1.0492850000e+00  7.0830300000e-01  7.9121600000e-01 -1.0195520000e+00  1.6334740000e+00  5.4748100000e-01 -1.4489800000e-01  4.0756600000e-01  7.0248200000e-01  1.0482640000e+00 -7.0483700000e-01 -7.8073700000e-01  9.7755000000e-01 -1.5911040000e+00 -4.2610700000e-01  1.5051600000e-01 -4.6657200000e-01 -1.0120560000e+00
+ENERGY -1.526594173381e+02
+FORCES  7.1405000000e-03  2.2138000000e-03  1.7780000000e-04 -3.6000000000e-06 -4.1651000000e-03  3.4000000000e-05 -8.3721000000e-03  7.5090000000e-04 -1.1295000000e-03 -5.2887000000e-03 -4.3395000000e-03 -2.3575000000e-03  1.7360000000e-04  4.8706000000e-03 -6.9100000000e-04  6.3503000000e-03  6.6940000000e-04  3.9662000000e-03
+
+JOB 16
+COORDS  1.1956330000e+00  3.4676000000e-01 -8.8735600000e-01  3.0547100000e-01  2.7350000000e-02 -7.3963800000e-01  1.3786000000e+00  9.0540200000e-01 -1.3192700000e-01 -1.1197720000e+00 -3.1731600000e-01  7.9508200000e-01 -1.7716170000e+00 -9.5061700000e-01  4.9465100000e-01 -1.1056930000e+00 -4.2047100000e-01  1.7466030000e+00
+ENERGY -1.526588783442e+02
+FORCES -7.9270000000e-03 -2.2960000000e-04  8.6807000000e-03  3.7413000000e-03  1.6200000000e-04 -6.5588000000e-03  1.5468000000e-03 -8.6560000000e-04 -2.4145000000e-03 -2.3000000000e-04 -2.4787000000e-03  3.5915000000e-03  3.8373000000e-03  3.0031000000e-03  8.7920000000e-04 -9.6840000000e-04  4.0880000000e-04 -4.1781000000e-03
+
+JOB 17
+COORDS  7.4027400000e-01 -1.6695800000e-01 -1.2644630000e+00  1.6027980000e+00 -4.8803000000e-01 -1.5275160000e+00  8.2361600000e-01  3.7680000000e-03 -3.2630600000e-01 -7.5907400000e-01  1.2263400000e-01  1.2187010000e+00 -6.8561100000e-01  6.5059600000e-01  2.0137420000e+00 -1.3991240000e+00  5.8779700000e-01  6.8000600000e-01
+ENERGY -1.526597602567e+02
+FORCES  4.3100000000e-04 -1.0016000000e-03  6.4220000000e-03 -2.9106000000e-03  1.1962000000e-03  2.1731000000e-03  4.2156000000e-03  4.9860000000e-04 -8.2314000000e-03 -5.4694000000e-03  3.0576000000e-03 -2.0430000000e-04  3.6420000000e-04 -2.2451000000e-03 -4.1361000000e-03  3.3692000000e-03 -1.5057000000e-03  3.9766000000e-03
+
+JOB 18
+COORDS -2.1503000000e-02 -1.4089380000e+00 -2.0669400000e-01  5.2118200000e-01 -1.4614680000e+00 -9.9343700000e-01  2.2756500000e-01 -2.1763650000e+00  3.0833300000e-01  1.7153000000e-02  1.4850280000e+00  1.8740300000e-01 -2.6838200000e-01  1.7370500000e+00  1.0655750000e+00 -5.4516800000e-01  7.4608300000e-01 -4.4952000000e-02
+ENERGY -1.526577207850e+02
+FORCES  5.2431000000e-03 -9.3180000000e-04  3.3510000000e-04 -3.1468000000e-03 -3.9810000000e-04  3.2807000000e-03 -5.6600000000e-04  2.8579000000e-03 -2.5250000000e-03 -2.5942000000e-03 -8.3168000000e-03  2.6545000000e-03  1.0157000000e-03 -8.3430000000e-04 -2.7210000000e-03  4.8200000000e-05  7.6232000000e-03 -1.0243000000e-03
+
+JOB 19
+COORDS -2.2810900000e-01 -1.3849820000e+00 -2.7753000000e-01 -2.3492700000e-01 -2.3418110000e+00 -3.0330100000e-01 -3.9356700000e-01 -1.1193580000e+00 -1.1821290000e+00  2.2506200000e-01  1.4507980000e+00  2.6599400000e-01 -1.9259700000e-01  6.6829200000e-01  6.2582300000e-01  8.3174200000e-01  1.7349400000e+00  9.4968600000e-01
+ENERGY -1.526591926677e+02
+FORCES  4.5570000000e-04 -1.4477000000e-03 -4.7542000000e-03  5.3270000000e-04  4.1313000000e-03 -6.7710000000e-04 -3.4090000000e-04 -2.7586000000e-03  4.4045000000e-03  9.6930000000e-04 -6.6141000000e-03  3.5246000000e-03  5.2760000000e-04  7.7911000000e-03 -4.3030000000e-04 -2.1444000000e-03 -1.1019000000e-03 -2.0676000000e-03
+
+JOB 20
+COORDS  3.1235400000e-01  1.1484980000e+00  8.1880000000e-01  9.9646600000e-01  9.0440500000e-01  1.4422100000e+00  7.0308800000e-01  1.8483350000e+00  2.9555500000e-01 -4.1948400000e-01 -1.1803620000e+00 -8.6925600000e-01 -3.4785800000e-01 -4.9229600000e-01 -2.0769200000e-01  3.3426300000e-01 -1.7478560000e+00 -7.0786600000e-01
+ENERGY -1.526606364387e+02
+FORCES  4.5301000000e-03  3.3278000000e-03 -7.7090000000e-04 -3.0617000000e-03  4.1880000000e-04 -3.8490000000e-03 -1.1664000000e-03 -3.2205000000e-03  3.5090000000e-03  4.0396000000e-03  6.1552000000e-03  6.4360000000e-03 -2.3104000000e-03 -8.5320000000e-03 -5.0501000000e-03 -2.0312000000e-03  1.8507000000e-03 -2.7510000000e-04
+
+JOB 21
+COORDS -9.1030000000e-03 -8.3036600000e-01  1.2858200000e+00  1.2708900000e-01 -3.1391600000e-01  4.9148800000e-01 -9.2061600000e-01 -1.1175590000e+00  1.2320060000e+00  3.0047000000e-02  7.6866200000e-01 -1.1998890000e+00  1.5542000000e-02  1.7031900000e+00 -9.9330100000e-01  4.4826100000e-01  7.1936600000e-01 -2.0594810000e+00
+ENERGY -1.526617555286e+02
+FORCES -2.4772000000e-03  3.3686000000e-03 -8.8618000000e-03 -6.7300000000e-05 -3.5448000000e-03  9.0153000000e-03  2.6041000000e-03  7.2480000000e-04  6.7600000000e-04  1.8982000000e-03  2.6712000000e-03 -3.2203000000e-03  3.6930000000e-04 -4.8388000000e-03 -1.2891000000e-03 -2.3271000000e-03  1.6190000000e-03  3.6800000000e-03
+
+JOB 22
+COORDS  1.0976090000e+00 -1.4258700000e-01  8.9955100000e-01  1.5781830000e+00 -8.8972300000e-01  5.4308300000e-01  1.4831470000e+00  4.6100000000e-04  1.7639170000e+00 -1.1341760000e+00  2.2377000000e-01 -9.8707100000e-01 -5.4688300000e-01 -1.2607600000e-01 -3.1705000000e-01 -1.9982000000e+00 -1.1140200000e-01 -7.4758400000e-01
+ENERGY -1.526597097472e+02
+FORCES  3.7882000000e-03  2.1160000000e-04  3.1806000000e-03 -3.8810000000e-03  3.4379000000e-03  1.7606000000e-03 -4.4440000000e-04 -1.4773000000e-03 -4.1115000000e-03  3.0456000000e-03 -1.2121000000e-03  7.0228000000e-03 -5.7086000000e-03 -1.9315000000e-03 -7.5593000000e-03  3.2002000000e-03  9.7140000000e-04 -2.9320000000e-04
+
+JOB 23
+COORDS -3.9964800000e-01 -1.4861010000e+00  6.6781000000e-02  1.7727100000e-01 -1.7217190000e+00  7.9333500000e-01 -4.2348600000e-01 -5.2928700000e-01  7.9827000000e-02  3.5567400000e-01  1.3702690000e+00 -9.3515000000e-02 -2.4349500000e-01  2.0779710000e+00 -3.3097300000e-01  1.2154310000e+00  1.7886410000e+00 -4.8628000000e-02
+ENERGY -1.526601054051e+02
+FORCES  4.4251000000e-03  8.5891000000e-03  2.0409000000e-03 -1.5198000000e-03  4.1200000000e-05 -2.2109000000e-03 -4.5629000000e-03 -7.5094000000e-03  4.4940000000e-04  2.9622000000e-03  2.8161000000e-03 -1.2993000000e-03  3.0005000000e-03 -3.4815000000e-03  1.1751000000e-03 -4.3052000000e-03 -4.5560000000e-04 -1.5520000000e-04
+
+JOB 24
+COORDS -1.0302820000e+00 -5.9759000000e-02  1.1446860000e+00 -5.3678600000e-01 -8.7362400000e-01  1.0431080000e+00 -3.7400700000e-01  5.8856100000e-01  1.4000580000e+00  1.0224280000e+00  4.6568000000e-02 -1.1402260000e+00  8.0943900000e-01  7.6035200000e-01 -1.7413750000e+00  1.7330400000e-01 -2.6370900000e-01 -8.2566400000e-01
+ENERGY -1.526572421384e+02
+FORCES  6.6335000000e-03  5.9170000000e-04  3.8514000000e-03 -2.5822000000e-03  4.4150000000e-03 -4.1702000000e-03 -4.2694000000e-03 -2.7805000000e-03 -1.1100000000e-03 -7.3849000000e-03  2.5567000000e-03 -6.7050000000e-04  1.2254000000e-03 -2.5015000000e-03  2.4830000000e-03  6.3777000000e-03 -2.2814000000e-03 -3.8380000000e-04
+
+JOB 25
+COORDS  1.1656590000e+00 -6.3488800000e-01  5.6989500000e-01  1.9949420000e+00 -6.6418600000e-01  9.2754000000e-02  1.2750500000e+00 -1.2670450000e+00  1.2802780000e+00 -1.2794470000e+00  6.5330000000e-01 -6.0520000000e-01 -5.8892300000e-01  2.0513900000e-01 -1.1677400000e-01 -9.1496300000e-01  1.5170800000e+00 -7.9824400000e-01
+ENERGY -1.526612775780e+02
+FORCES  3.6600000000e-03 -2.8486000000e-03  9.4100000000e-05 -3.1563000000e-03 -1.8470000000e-04  3.1393000000e-03  4.3520000000e-04  2.7481000000e-03 -3.5771000000e-03  8.2235000000e-03 -1.1453000000e-03  3.4469000000e-03 -8.0563000000e-03  3.9637000000e-03 -3.1998000000e-03 -1.1060000000e-03 -2.5332000000e-03  9.6500000000e-05
+
+JOB 26
+COORDS -5.1942500000e-01  5.9619400000e-01  1.1989670000e+00 -1.1834570000e+00  1.2846790000e+00  1.2347730000e+00 -1.0514000000e-01  6.1724800000e-01  2.0616120000e+00  5.5377600000e-01 -6.5152100000e-01 -1.3203500000e+00  1.0219790000e+00 -8.9240700000e-01 -5.2098000000e-01 -2.5128200000e-01 -2.3625500000e-01 -1.0110480000e+00
+ENERGY -1.526577451270e+02
+FORCES  1.1850000000e-04  2.8287000000e-03  3.5397000000e-03  2.9623000000e-03 -3.4322000000e-03 -6.5780000000e-04 -1.8008000000e-03 -4.7700000000e-05 -3.8572000000e-03 -2.9498000000e-03  3.4064000000e-03  1.0131800000e-02  1.0897000000e-03 -1.2556000000e-03 -3.4785000000e-03  5.8010000000e-04 -1.4996000000e-03 -5.6781000000e-03
+
+JOB 27
+COORDS -8.9771400000e-01 -3.6045800000e-01 -1.2338270000e+00 -4.3732100000e-01 -8.0908000000e-02 -4.4254900000e-01 -2.0953000000e-01 -7.0558600000e-01 -1.8026170000e+00  7.9579100000e-01  3.5598600000e-01  1.1666200000e+00  1.1040990000e+00 -2.8719000000e-01  1.8049790000e+00  1.1555540000e+00  1.1887560000e+00  1.4720650000e+00
+ENERGY -1.526615714408e+02
+FORCES  7.0105000000e-03  1.3634000000e-03  5.0500000000e-03 -5.5302000000e-03 -2.4091000000e-03 -7.3822000000e-03 -2.2754000000e-03  7.6070000000e-04  1.4256000000e-03  2.3519000000e-03  9.9660000000e-04  4.0005000000e-03 -6.3650000000e-04  3.6865000000e-03 -2.6004000000e-03 -9.2030000000e-04 -4.3980000000e-03 -4.9350000000e-04
+
+JOB 28
+COORDS  8.4855800000e-01 -1.5124500000e-01 -1.2355700000e+00  1.3380750000e+00 -2.8639000000e-01 -4.2418800000e-01  1.3788160000e+00  4.6959000000e-01 -1.7351920000e+00 -8.9376800000e-01  9.8870000000e-02  1.2789000000e+00 -8.5564400000e-01 -3.8440800000e-01  4.5353900000e-01 -1.2009980000e+00  9.7122300000e-01  1.0322370000e+00
+ENERGY -1.526587045164e+02
+FORCES  4.8249000000e-03  2.8526000000e-03  1.9929000000e-03 -2.7986000000e-03 -2.6940000000e-04 -4.8432000000e-03 -1.8451000000e-03 -2.3637000000e-03  2.5252000000e-03 -9.3780000000e-04  2.4254000000e-03 -8.2245000000e-03  2.6400000000e-05  5.2000000000e-06  6.4187000000e-03  7.3010000000e-04 -2.6501000000e-03  2.1307000000e-03
+
+JOB 29
+COORDS  1.4575000000e-01  1.1560580000e+00 -1.0778740000e+00 -5.8172900000e-01  7.3520600000e-01 -1.5360110000e+00  3.3696000000e-02  8.9923300000e-01 -1.6260500000e-01 -1.0667600000e-01 -1.0601710000e+00  1.0229390000e+00  7.1359500000e-01 -1.4965620000e+00  1.2530480000e+00 -7.8987900000e-01 -1.6475820000e+00  1.3460720000e+00
+ENERGY -1.526591675362e+02
+FORCES -3.7879000000e-03 -7.2074000000e-03  4.8142000000e-03  1.9553000000e-03  2.3352000000e-03  1.8210000000e-04  1.3514000000e-03  5.8280000000e-03 -4.5238000000e-03  1.4306000000e-03 -4.6894000000e-03  1.6282000000e-03 -4.2122000000e-03  1.5598000000e-03 -3.2680000000e-04  3.2629000000e-03  2.1738000000e-03 -1.7739000000e-03
+
+JOB 30
+COORDS -5.7502600000e-01 -7.2437100000e-01  1.2833670000e+00  1.9024400000e-01 -8.9961100000e-01  1.8309840000e+00 -2.4689200000e-01 -1.5472300000e-01  5.8762200000e-01  4.6299600000e-01  6.9323900000e-01 -1.2713320000e+00  9.1934500000e-01  1.5173990000e+00 -1.1018120000e+00  1.1476000000e+00  9.8405000000e-02 -1.5774720000e+00
+ENERGY -1.526603094301e+02
+FORCES  4.2993000000e-03  3.7624000000e-03 -4.9730000000e-03 -2.1447000000e-03  7.3070000000e-04 -2.3148000000e-03 -2.0940000000e-03 -4.5815000000e-03  9.2393000000e-03  4.9878000000e-03  1.5507000000e-03 -4.6157000000e-03 -2.0141000000e-03 -4.7995000000e-03  1.4750000000e-04 -3.0343000000e-03  3.3372000000e-03  2.5168000000e-03
+
+JOB 31
+COORDS  2.1252700000e-01  1.0247740000e+00  1.1385470000e+00  1.1607080000e+00  9.3634400000e-01  1.2353150000e+00 -1.5071100000e-01  3.3357800000e-01  1.6922050000e+00 -2.0754300000e-01 -1.0144510000e+00 -1.2089890000e+00  2.9553000000e-02 -2.8830000000e-01 -6.3216800000e-01 -1.1627390000e+00 -9.7874600000e-01 -1.2595600000e+00
+ENERGY -1.526601633085e+02
+FORCES  2.7964000000e-03 -1.0960000000e-03  6.7104000000e-03 -5.2256000000e-03 -4.4720000000e-04 -1.6826000000e-03  1.6533000000e-03  3.1204000000e-03 -4.3000000000e-03 -2.5194000000e-03  7.0536000000e-03  3.8659000000e-03  1.7090000000e-04 -7.8639000000e-03 -5.1430000000e-03  3.1245000000e-03 -7.6680000000e-04  5.4930000000e-04
+
+JOB 32
+COORDS -8.5164500000e-01 -6.9648600000e-01 -1.1832750000e+00 -1.3650830000e+00 -1.2497630000e+00 -5.9463500000e-01 -3.7398200000e-01 -1.0539900000e-01 -6.0130700000e-01  8.2295400000e-01  7.4465400000e-01  1.0750120000e+00  1.5226940000e+00  1.3433300000e-01  8.4241100000e-01  5.8970200000e-01  5.1118100000e-01  1.9735200000e+00
+ENERGY -1.526598723364e+02
+FORCES  7.3370000000e-04  3.2846000000e-03  7.4356000000e-03  1.7883000000e-03  1.3219000000e-03 -2.0278000000e-03 -2.3110000000e-03 -5.8030000000e-03 -6.9205000000e-03  3.7895000000e-03 -2.0000000000e-03  5.5682000000e-03 -5.2329000000e-03  2.6131000000e-03  3.6530000000e-04  1.2325000000e-03  5.8340000000e-04 -4.4207000000e-03
+
+JOB 33
+COORDS -3.5713900000e-01  1.1037490000e+00  9.9381500000e-01  6.2227000000e-02  9.5199200000e-01  1.8407710000e+00 -2.7430000000e-03  1.9420350000e+00  6.9731600000e-01  3.3866200000e-01 -1.1683750000e+00 -9.8148100000e-01 -2.9192500000e-01 -4.4824600000e-01 -9.8388200000e-01  4.3239500000e-01 -1.4083640000e+00 -1.9033550000e+00
+ENERGY -1.526570200079e+02
+FORCES  5.1027000000e-03  1.0129000000e-03  3.9349000000e-03 -2.1237000000e-03  2.0856000000e-03 -2.8847000000e-03 -1.8612000000e-03 -3.7006000000e-03  4.8930000000e-04 -3.3809000000e-03  3.6856000000e-03 -5.1340000000e-04  2.5816000000e-03 -4.8949000000e-03 -4.7665000000e-03 -3.1840000000e-04  1.8114000000e-03  3.7404000000e-03
+
+JOB 34
+COORDS -1.2383430000e+00  4.2146900000e-01  9.6279100000e-01 -4.6091300000e-01  9.7973600000e-01  9.7591300000e-01 -9.0648200000e-01 -4.4678100000e-01  7.3422400000e-01  1.1360530000e+00 -4.4387500000e-01 -9.2907100000e-01  1.6585770000e+00  1.9083300000e-01 -4.3881800000e-01  1.4749830000e+00 -3.9443000000e-01 -1.8228910000e+00
+ENERGY -1.526556723733e+02
+FORCES  6.3516000000e-03 -2.8552000000e-03 -4.8499000000e-03 -1.7906000000e-03 -6.9260000000e-04  1.2304000000e-03 -3.2302000000e-03  3.0255000000e-03  4.0003000000e-03  3.4567000000e-03  2.7962000000e-03 -3.5857000000e-03 -3.7649000000e-03 -2.2827000000e-03 -8.8580000000e-04 -1.0226000000e-03  8.8000000000e-06  4.0906000000e-03
+
+JOB 35
+COORDS  1.5793300000e-01 -1.3949570000e+00 -6.9785400000e-01 -5.1438100000e-01 -2.0355120000e+00 -4.6565800000e-01 -2.7627300000e-01 -8.0339600000e-01 -1.3124700000e+00 -1.1398800000e-01  1.4234820000e+00  6.5988600000e-01 -2.4421000000e-02  1.8412440000e+00  1.5164400000e+00  1.1767900000e-01  5.0764200000e-01  8.1415300000e-01
+ENERGY -1.526598347123e+02
+FORCES -4.7414000000e-03 -1.0102000000e-03 -4.8887000000e-03  2.9694000000e-03  3.2517000000e-03 -3.8880000000e-04  2.0463000000e-03 -3.8151000000e-03  3.4620000000e-03  2.4190000000e-03 -3.8845000000e-03  2.7772000000e-03 -2.6640000000e-04 -2.3936000000e-03 -2.9219000000e-03 -2.4269000000e-03  7.8518000000e-03  1.9602000000e-03
+
+JOB 36
+COORDS  1.2631740000e+00 -1.0312420000e+00 -6.8843000000e-02  8.4229100000e-01 -1.8186100000e-01 -2.0165800000e-01  2.0155790000e+00 -8.4124000000e-01  4.9153000000e-01 -1.2361410000e+00  9.2448600000e-01  3.6902000000e-02 -2.0220960000e+00  1.1833910000e+00 -4.4421800000e-01 -1.1398370000e+00  1.5919360000e+00  7.1621600000e-01
+ENERGY -1.526579659848e+02
+FORCES -2.3145000000e-03  5.1179000000e-03  1.0219000000e-03  7.2351000000e-03 -4.3982000000e-03  7.7780000000e-04 -3.0661000000e-03 -2.2120000000e-04 -1.7357000000e-03 -5.5160000000e-03  3.0754000000e-03  5.3290000000e-04  3.1456000000e-03 -5.7530000000e-04  2.8417000000e-03  5.1580000000e-04 -2.9985000000e-03 -3.4385000000e-03
+
+JOB 37
+COORDS -5.9590400000e-01  1.4542130000e+00  2.4681700000e-01 -1.1613350000e+00  2.2068120000e+00  4.2035500000e-01  1.6390800000e-01  1.5892560000e+00  8.1310300000e-01  6.3095900000e-01 -1.5407940000e+00 -2.8526300000e-01 -2.9831200000e-01 -1.7333840000e+00 -1.6037800000e-01  6.6135200000e-01 -5.9724400000e-01 -4.4344500000e-01
+ENERGY -1.526580672708e+02
+FORCES -7.0420000000e-04  5.2312000000e-03  3.5175000000e-03  2.6334000000e-03 -3.1466000000e-03 -6.5800000000e-05 -3.0336000000e-03 -1.3567000000e-03 -3.8624000000e-03 -6.1537000000e-03  5.1019000000e-03 -5.8960000000e-04  3.6691000000e-03 -1.3201000000e-03 -4.2190000000e-04  3.5891000000e-03 -4.5097000000e-03  1.4222000000e-03
+
+JOB 38
+COORDS  1.1131550000e+00 -1.0304440000e+00 -7.4040400000e-01  6.1669800000e-01 -4.2479900000e-01 -1.8999000000e-01  6.4340300000e-01 -1.0368730000e+00 -1.5743840000e+00 -1.0501680000e+00  1.0141080000e+00  6.9751400000e-01 -1.6499930000e+00  3.5548300000e-01  1.0477340000e+00 -5.6528700000e-01  1.3273150000e+00  1.4610740000e+00
+ENERGY -1.526597662881e+02
+FORCES -5.9739000000e-03  5.3027000000e-03 -6.6800000000e-04  5.8322000000e-03 -6.0777000000e-03 -1.7647000000e-03  1.9018000000e-03 -8.7670000000e-04  2.5456000000e-03 -3.8493000000e-03  1.4964000000e-03  6.1362000000e-03  3.7873000000e-03  2.7988000000e-03 -2.0542000000e-03 -1.6980000000e-03 -2.6434000000e-03 -4.1950000000e-03
+
+JOB 39
+COORDS  2.1869400000e-01  6.0969800000e-01  1.6077210000e+00 -4.1589500000e-01  1.7945400000e-01  1.0346430000e+00 -3.1374400000e-01  1.0265390000e+00  2.2852060000e+00 -9.9950000000e-02 -6.4812300000e-01 -1.6179160000e+00 -8.3911800000e-01 -6.0754100000e-01 -1.0111090000e+00 -2.6120700000e-01  6.0978000000e-02 -2.2403350000e+00
+ENERGY -1.526513778645e+02
+FORCES -3.7592000000e-03 -5.4460000000e-04  2.0020000000e-04  8.9400000000e-05  1.3433000000e-03  1.4881000000e-03  2.3494000000e-03 -1.7511000000e-03 -3.3728000000e-03 -2.9728000000e-03  3.7124000000e-03 -1.6480000000e-03  3.8294000000e-03  7.9280000000e-04  8.0090000000e-04  4.6380000000e-04 -3.5528000000e-03  2.5316000000e-03
+
+JOB 40
+COORDS  6.3416400000e-01  1.0633540000e+00 -1.1359230000e+00  1.3804960000e+00  1.6624830000e+00 -1.1521770000e+00 -7.2582000000e-02  1.5487820000e+00 -1.5614830000e+00 -6.4116800000e-01 -1.0675200000e+00  1.1919130000e+00  1.1195800000e-01 -1.3246570000e+00  6.6001700000e-01 -1.2308800000e+00 -1.8204760000e+00  1.1528110000e+00
+ENERGY -1.526550986879e+02
+FORCES -1.3444000000e-03  5.2854000000e-03 -1.1116000000e-03 -2.9755000000e-03 -2.7244000000e-03  8.8000000000e-05  3.4380000000e-03 -1.6811000000e-03  9.3440000000e-04  2.1370000000e-03 -2.6713000000e-03 -3.8226000000e-03 -3.3166000000e-03 -1.4246000000e-03  3.9746000000e-03  2.0615000000e-03  3.2161000000e-03 -6.2800000000e-05
+
+JOB 41
+COORDS -1.4904380000e+00  6.0886100000e-01  4.9873900000e-01 -2.1598300000e+00  1.1793110000e+00  1.2093800000e-01 -1.2849570000e+00  1.0073800000e+00  1.3444300000e+00  1.5665400000e+00 -7.0253900000e-01 -5.5930500000e-01  1.7040250000e+00 -2.9212700000e-01  2.9444700000e-01  6.5699100000e-01 -5.0073100000e-01 -7.7891200000e-01
+ENERGY -1.526578611493e+02
+FORCES -3.7209000000e-03  4.5974000000e-03  2.7369000000e-03  2.9844000000e-03 -2.4570000000e-03  1.8534000000e-03 -4.0380000000e-04 -1.6889000000e-03 -3.8598000000e-03 -5.7986000000e-03  3.1320000000e-03  3.1862000000e-03  8.0370000000e-04 -1.4927000000e-03 -2.5141000000e-03  6.1353000000e-03 -2.0907000000e-03 -1.4026000000e-03
+
+JOB 42
+COORDS  1.2893400000e-01  3.4881400000e-01  1.7392970000e+00  6.6533000000e-01 -1.4297500000e-01  1.1174810000e+00 -5.5932400000e-01 -2.6350600000e-01  1.9992910000e+00 -1.6594600000e-01 -2.3264500000e-01 -1.7317740000e+00 -3.4094200000e-01 -1.1269440000e+00 -1.4387920000e+00  7.8714700000e-01 -1.8718400000e-01 -1.8077930000e+00
+ENERGY -1.526526032842e+02
+FORCES -1.8702000000e-03 -3.7037000000e-03 -3.6815000000e-03 -6.2880000000e-04  7.6460000000e-04  3.4414000000e-03  2.9977000000e-03  2.0489000000e-03 -7.4360000000e-04  2.3847000000e-03 -2.5634000000e-03 -6.9430000000e-04  1.2644000000e-03  4.0630000000e-03  6.9100000000e-05 -4.1479000000e-03 -6.0950000000e-04  1.6089000000e-03
+
+JOB 43
+COORDS -8.1395300000e-01  1.1461520000e+00  1.1449120000e+00 -6.3488000000e-02  1.7143340000e+00  1.3186970000e+00 -5.6400300000e-01  6.5015700000e-01  3.6533200000e-01  7.4404900000e-01 -1.0874220000e+00 -1.0902570000e+00  6.7061400000e-01 -1.5070850000e+00 -1.9474160000e+00  9.6325300000e-01 -1.8013410000e+00 -4.9150700000e-01
+ENERGY -1.526592062991e+02
+FORCES  4.6861000000e-03 -7.4110000000e-04 -4.2816000000e-03 -2.8195000000e-03 -1.8367000000e-03 -9.1300000000e-05 -3.0001000000e-03  4.2082000000e-03  5.8485000000e-03  1.3945000000e-03 -6.1807000000e-03 -2.3766000000e-03  6.8540000000e-04  1.3271000000e-03  3.8635000000e-03 -9.4640000000e-04  3.2232000000e-03 -2.9626000000e-03
+
+JOB 44
+COORDS  3.5914200000e-01 -2.6906800000e-01  1.6702650000e+00  4.9140100000e-01 -4.1288600000e-01  2.6073110000e+00 -5.8574700000e-01 -3.5694500000e-01  1.5449940000e+00 -3.6402200000e-01  2.3211500000e-01 -1.7380000000e+00  7.7647000000e-02  3.3869500000e-01 -8.9550300000e-01 -3.9578000000e-02  9.5692000000e-01 -2.2724390000e+00
+ENERGY -1.526578713127e+02
+FORCES -2.7814000000e-03 -2.0076000000e-03  5.5285000000e-03 -1.1204000000e-03  4.2130000000e-04 -3.6561000000e-03  5.0247000000e-03  1.2011000000e-03 -1.1180000000e-04  4.5684000000e-03  3.1102000000e-03  1.7849000000e-03 -4.4165000000e-03  3.7000000000e-05 -5.4269000000e-03 -1.2748000000e-03 -2.7620000000e-03  1.8814000000e-03
+
+JOB 45
+COORDS  6.6300000000e-01 -1.3756910000e+00 -7.8574800000e-01  1.3965570000e+00 -1.9456750000e+00 -1.0164940000e+00 -9.3838000000e-02 -1.7719010000e+00 -1.2175400000e+00 -6.5967900000e-01  1.4625600000e+00  8.6560400000e-01  1.3398800000e-01  1.1047930000e+00  4.6770100000e-01 -1.3754850000e+00  1.0862710000e+00  3.5349200000e-01
+ENERGY -1.526572613099e+02
+FORCES  5.5540000000e-04 -5.5651000000e-03 -2.8315000000e-03 -3.3644000000e-03  2.2421000000e-03  7.9310000000e-04  3.0557000000e-03  2.1039000000e-03  1.7926000000e-03  1.6981000000e-03 -5.1417000000e-03 -4.3800000000e-03 -3.4409000000e-03  4.4973000000e-03  2.6921000000e-03  1.4962000000e-03  1.8636000000e-03  1.9337000000e-03
+
+JOB 46
+COORDS  1.5230950000e+00  9.7052500000e-01 -3.5771500000e-01  7.6249400000e-01  1.3355980000e+00 -8.0986600000e-01  1.1784590000e+00  2.1720700000e-01  1.2183700000e-01 -1.4130020000e+00 -9.7684900000e-01  3.9576100000e-01 -1.6330510000e+00 -1.2081000000e+00 -5.0664300000e-01 -1.9944280000e+00 -2.4575500000e-01  6.0475000000e-01
+ENERGY -1.526572925977e+02
+FORCES -5.8234000000e-03 -3.0998000000e-03  1.1104000000e-03  2.8708000000e-03 -4.7510000000e-04  9.7270000000e-04  4.1319000000e-03  4.2700000000e-03 -2.4075000000e-03 -5.8578000000e-03  4.2250000000e-04 -2.1793000000e-03  1.4808000000e-03  1.7888000000e-03  4.0007000000e-03  3.1978000000e-03 -2.9063000000e-03 -1.4970000000e-03
+
+JOB 47
+COORDS -1.0981640000e+00 -4.8118700000e-01 -1.3444400000e+00 -1.2271440000e+00  4.5787900000e-01 -1.2112010000e+00 -1.7915000000e+00 -8.9408200000e-01 -8.2962500000e-01  1.2164510000e+00  4.5855700000e-01  1.3000900000e+00  6.0084800000e-01  9.8832700000e-01  1.8066560000e+00  6.7506600000e-01 -2.2246600000e-01  9.0091400000e-01
+ENERGY -1.526558540972e+02
+FORCES -4.6942000000e-03  2.8440000000e-03 -5.0500000000e-04  3.3020000000e-04 -4.7427000000e-03  3.7220000000e-04  4.1316000000e-03  2.0335000000e-03 -1.1415000000e-03 -4.3662000000e-03 -1.8396000000e-03 -7.9030000000e-04  1.9954000000e-03 -1.8963000000e-03 -2.4388000000e-03  2.6032000000e-03  3.6011000000e-03  4.5034000000e-03
+
+JOB 48
+COORDS -1.1623730000e+00  3.2279800000e-01  1.4319500000e+00 -1.3138910000e+00  5.2778000000e-02  5.2621100000e-01 -5.2543400000e-01 -3.0822200000e-01  1.7671420000e+00  1.0923560000e+00 -2.4327200000e-01 -1.3446160000e+00  1.4175190000e+00 -1.1288820000e+00 -1.5064630000e+00  1.4021490000e+00  2.6664900000e-01 -2.0931080000e+00
+ENERGY -1.526561886176e+02
+FORCES  4.1622000000e-03 -3.2874000000e-03 -4.4295000000e-03 -1.9636000000e-03  7.8670000000e-04  4.8270000000e-03 -3.0399000000e-03  1.8465000000e-03  2.4200000000e-05  3.8707000000e-03 -4.5690000000e-04 -4.5719000000e-03 -1.7963000000e-03  3.6967000000e-03  1.1539000000e-03 -1.2331000000e-03 -2.5855000000e-03  2.9962000000e-03
+
+JOB 49
+COORDS  1.6093200000e-01  1.0490210000e+00  1.5340440000e+00 -4.3216200000e-01  1.7964210000e+00  1.4574680000e+00  1.5354500000e-01  6.4681500000e-01  6.6547700000e-01 -7.3824000000e-02 -1.1080610000e+00 -1.4517220000e+00 -2.5428000000e-02 -2.5957400000e-01 -1.8921300000e+00 -1.0055780000e+00 -1.3272770000e+00 -1.4548520000e+00
+ENERGY -1.526559485771e+02
+FORCES -1.8211000000e-03 -4.1440000000e-04 -4.0621000000e-03  2.2047000000e-03 -3.0787000000e-03 -1.7490000000e-04 -4.1170000000e-04  5.2500000000e-03  4.5010000000e-03 -4.0177000000e-03 -4.6370000000e-04 -4.6305000000e-03 -3.3900000000e-04 -2.9591000000e-03  4.2614000000e-03  4.3849000000e-03  1.6660000000e-03  1.0510000000e-04
+
+JOB 50
+COORDS  1.0156990000e+00  1.5314820000e+00  1.2593900000e-01  1.8765900000e+00  1.9265770000e+00 -1.1895000000e-02  4.4951100000e-01  2.2662010000e+00  3.6226700000e-01 -1.0287210000e+00 -1.6347480000e+00 -7.7093000000e-02 -1.0254690000e+00 -7.0033600000e-01 -2.8468500000e-01 -1.1761870000e+00 -2.0669670000e+00 -9.1832600000e-01
+ENERGY -1.526555087294e+02
+FORCES  3.1030000000e-03  4.8665000000e-03  1.0768000000e-03 -3.7456000000e-03 -1.2113000000e-03  6.3040000000e-04  1.8229000000e-03 -3.6180000000e-03 -1.4723000000e-03  1.1132000000e-03  3.3145000000e-03 -4.0804000000e-03 -2.7366000000e-03 -4.8269000000e-03  6.0820000000e-04  4.4320000000e-04  1.4751000000e-03  3.2373000000e-03
+
+JOB 51
+COORDS  1.0601800000e+00  1.9152000000e-01  1.6580120000e+00  1.3895020000e+00 -7.0528500000e-01  1.5986760000e+00  5.9153900000e-01  3.3003300000e-01  8.3495600000e-01 -1.0741180000e+00 -8.9161000000e-02 -1.5675800000e+00 -1.3008050000e+00 -1.0091290000e+00 -1.4315510000e+00 -4.5976000000e-01 -9.9369000000e-02 -2.3015360000e+00
+ENERGY -1.526569022021e+02
+FORCES -1.7366000000e-03 -2.3905000000e-03 -4.4867000000e-03 -1.1744000000e-03  3.1858000000e-03  2.3790000000e-04  4.0988000000e-03 -8.5750000000e-04  5.4401000000e-03 -6.6020000000e-04 -3.9655000000e-03 -4.9432000000e-03  1.8288000000e-03  4.1571000000e-03 -1.5390000000e-04 -2.3563000000e-03 -1.2940000000e-04  3.9057000000e-03
+
+JOB 52
+COORDS  1.6407090000e+00  9.3259400000e-01  4.9974100000e-01  2.2369220000e+00  1.8686200000e-01  4.3157700000e-01  1.2266410000e+00  9.8830600000e-01 -3.6146600000e-01 -1.6991360000e+00 -8.4839200000e-01 -4.8268000000e-01 -1.1637210000e+00 -6.6627400000e-01  2.8958700000e-01 -1.4881160000e+00 -1.7531690000e+00 -7.1307000000e-01
+ENERGY -1.526562742617e+02
+FORCES  2.0144000000e-03 -1.3451000000e-03 -4.7659000000e-03 -3.0457000000e-03  2.7100000000e-03  5.3010000000e-04  2.1071000000e-03 -6.7390000000e-04  4.6273000000e-03  2.1685000000e-03 -3.0550000000e-03  3.4404000000e-03 -2.7732000000e-03 -1.4663000000e-03 -4.5702000000e-03 -4.7110000000e-04  3.8302000000e-03  7.3820000000e-04
+
+JOB 53
+COORDS  1.8116750000e+00 -3.5647500000e-01 -3.5998200000e-01  2.1686760000e+00  2.5449600000e-01  2.8460800000e-01  2.4605460000e+00 -1.0583670000e+00 -4.1044400000e-01 -1.9344940000e+00  3.6446100000e-01  3.5503600000e-01 -1.4506440000e+00 -3.9258900000e-01  2.4890000000e-02 -1.3297420000e+00  1.0992600000e+00  2.5218700000e-01
+ENERGY -1.526566601689e+02
+FORCES  5.5729000000e-03 -8.2400000000e-04  2.2962000000e-03 -1.9191000000e-03 -2.3678000000e-03 -2.8685000000e-03 -2.6607000000e-03  3.0556000000e-03  3.2870000000e-04  5.9388000000e-03 -7.0130000000e-04 -2.6251000000e-03 -3.9728000000e-03  2.6557000000e-03  1.7247000000e-03 -2.9591000000e-03 -1.8181000000e-03  1.1440000000e-03
+
+JOB 54
+COORDS  3.3140600000e-01  9.9155600000e-01 -1.6606110000e+00  9.8505400000e-01  6.8947100000e-01 -1.0299610000e+00  3.4456000000e-02  1.8329530000e+00 -1.3140510000e+00 -3.5658500000e-01 -9.9470500000e-01  1.6747410000e+00 -5.3508800000e-01 -4.8100500000e-01  8.8703500000e-01 -7.3107000000e-02 -1.8477480000e+00  1.3458170000e+00
+ENERGY -1.526558539843e+02
+FORCES  3.0817000000e-03  4.1189000000e-03  2.1901000000e-03 -4.4796000000e-03  3.7180000000e-04 -2.3539000000e-03  9.5880000000e-04 -4.2854000000e-03 -1.1806000000e-03 -1.0619000000e-03 -2.2132000000e-03 -4.9141000000e-03  2.1884000000e-03 -1.6730000000e-03  4.7296000000e-03 -6.8750000000e-04  3.6809000000e-03  1.5289000000e-03
+
+JOB 55
+COORDS  8.3699600000e-01  1.4176050000e+00  1.1116660000e+00  1.3792400000e-01  8.0146400000e-01  8.9280900000e-01  4.7248100000e-01  1.9539200000e+00  1.8157450000e+00 -7.5737400000e-01 -1.3697330000e+00 -1.1038260000e+00 -1.4759460000e+00 -1.9555350000e+00 -8.6566200000e-01 -5.0465600000e-01 -1.6457720000e+00 -1.9848300000e+00
+ENERGY -1.526564121181e+02
+FORCES -4.5839000000e-03 -1.4811000000e-03  6.7830000000e-04  3.1310000000e-03  4.3878000000e-03  3.1799000000e-03  1.3399000000e-03 -2.1037000000e-03 -2.6517000000e-03 -1.2358000000e-03 -4.1691000000e-03 -4.0930000000e-03  2.9527000000e-03  2.7207000000e-03 -7.4880000000e-04 -1.6039000000e-03  6.4560000000e-04  3.6354000000e-03
+
+JOB 56
+COORDS  1.0783710000e+00 -1.0314400000e-01 -1.7270810000e+00  7.0407600000e-01 -7.7706700000e-01 -2.2944970000e+00  3.8995100000e-01  5.5779500000e-01 -1.6531200000e+00 -9.6904600000e-01  1.4165400000e-01  1.7813330000e+00 -1.8927960000e+00  1.9185000000e-01  2.0270950000e+00 -9.3973700000e-01 -5.2221200000e-01  1.0923810000e+00
+ENERGY -1.526545298410e+02
+FORCES -3.3209000000e-03  1.1896000000e-03 -2.6921000000e-03  1.1728000000e-03  2.6207000000e-03  2.9935000000e-03  2.5692000000e-03 -3.7309000000e-03 -6.1420000000e-04 -2.8438000000e-03 -3.2262000000e-03 -1.2121000000e-03  3.8486000000e-03 -1.0720000000e-04 -1.3312000000e-03 -1.4259000000e-03  3.2541000000e-03  2.8560000000e-03
+
+JOB 57
+COORDS  2.0011950000e+00 -2.1178200000e-01 -1.6275500000e-01  2.4028440000e+00 -1.7257200000e-01  7.0521500000e-01  2.6271260000e+00 -7.0300200000e-01 -6.9486900000e-01 -2.0777820000e+00  1.7624200000e-01  1.5801600000e-01 -2.1966560000e+00  5.6524300000e-01 -7.0845900000e-01 -1.7226220000e+00  8.8604100000e-01  6.9306700000e-01
+ENERGY -1.526538379943e+02
+FORCES  3.9176000000e-03 -2.7290000000e-03  1.4486000000e-03 -1.6420000000e-03  2.3800000000e-04 -3.5383000000e-03 -2.4766000000e-03  2.1841000000e-03  2.1140000000e-03  2.8267000000e-03  4.2854000000e-03 -1.8738000000e-03 -3.5480000000e-04 -1.4435000000e-03  3.3944000000e-03 -2.2709000000e-03 -2.5351000000e-03 -1.5448000000e-03
+
+JOB 58
+COORDS  1.6715600000e+00  1.2453430000e+00  5.2676700000e-01  7.9308200000e-01  1.4319520000e+00  1.9557800000e-01  2.2344960000e+00  1.2930550000e+00 -2.4592900000e-01 -1.6202710000e+00 -1.2117660000e+00 -5.0101600000e-01 -2.1814330000e+00 -1.0224010000e+00  2.5096100000e-01 -1.6342320000e+00 -2.1658710000e+00 -5.7665200000e-01
+ENERGY -1.526551309724e+02
+FORCES -2.1423000000e-03 -1.2790000000e-04 -5.1452000000e-03  4.0125000000e-03  6.0010000000e-04  1.9882000000e-03 -1.8078000000e-03  8.0400000000e-05  3.1521000000e-03 -2.0346000000e-03 -4.0118000000e-03  3.0971000000e-03  2.2567000000e-03 -4.1110000000e-04 -3.2824000000e-03 -2.8450000000e-04  3.8702000000e-03  1.9030000000e-04
+
+JOB 59
+COORDS -4.6580800000e-01  1.4226920000e+00 -1.4843800000e+00 -7.0756000000e-01  2.2859460000e+00 -1.8199090000e+00 -7.5270000000e-02  9.7438700000e-01 -2.2345370000e+00  4.8215100000e-01 -1.4990320000e+00  1.5485530000e+00 -1.1446000000e-02 -1.1468470000e+00  8.0790500000e-01  5.0048900000e-01 -7.8515000000e-01  2.1859450000e+00
+ENERGY -1.526561641574e+02
+FORCES  5.9150000000e-04  2.6069000000e-03 -5.0413000000e-03  1.0940000000e-03 -3.5880000000e-03  1.1969000000e-03 -1.8230000000e-03  1.6918000000e-03  3.3570000000e-03 -2.2565000000e-03  5.3712000000e-03 -9.8070000000e-04  2.2866000000e-03 -2.9285000000e-03  3.3568000000e-03  1.0730000000e-04 -3.1534000000e-03 -1.8887000000e-03
+
+JOB 60
+COORDS -1.1015890000e+00  8.5192300000e-01  1.6199050000e+00 -1.2133150000e+00  1.5676040000e+00  2.2456440000e+00 -1.7162760000e+00  1.7907700000e-01  1.9126000000e+00  1.0874760000e+00 -8.7128800000e-01 -1.6430360000e+00  1.7048540000e+00 -1.8218700000e-01 -1.3976470000e+00  1.4679600000e+00 -1.2661380000e+00 -2.4276100000e+00
+ENERGY -1.526537434668e+02
+FORCES -3.3035000000e-03 -5.9080000000e-04  3.3822000000e-03  6.7900000000e-04 -2.8346000000e-03 -2.6764000000e-03  2.3448000000e-03  3.0927000000e-03 -7.5070000000e-04  3.8709000000e-03  1.9755000000e-03 -1.4933000000e-03 -1.9106000000e-03 -3.1475000000e-03 -1.6713000000e-03 -1.6805000000e-03  1.5046000000e-03  3.2096000000e-03
+
+JOB 61
+COORDS  1.7680100000e+00  5.9824100000e-01 -1.1319580000e+00  2.5228160000e+00  2.9713300000e-01 -1.6377590000e+00  1.8278070000e+00  1.2093000000e-01 -3.0441300000e-01 -1.8490130000e+00 -5.1507000000e-01  1.1474780000e+00 -2.1372620000e+00 -1.2161850000e+00  5.6302800000e-01 -8.9374600000e-01 -5.3131900000e-01  1.0888810000e+00
+ENERGY -1.526533420312e+02
+FORCES  4.3167000000e-03 -2.5762000000e-03  8.1700000000e-04 -3.3019000000e-03  1.2650000000e-03  2.1651000000e-03 -1.5433000000e-03  1.4421000000e-03 -3.0993000000e-03  2.5418000000e-03 -2.3961000000e-03 -3.5968000000e-03  1.1044000000e-03  2.6221000000e-03  2.7645000000e-03 -3.1177000000e-03 -3.5700000000e-04  9.4950000000e-04
+
+JOB 62
+COORDS -1.4661480000e+00 -1.2650080000e+00  1.0184980000e+00 -1.6184380000e+00 -2.0281950000e+00  4.6119600000e-01 -2.2677960000e+00 -7.4767500000e-01  9.4129800000e-01  1.5454520000e+00  1.3090080000e+00 -9.3878700000e-01  8.8138900000e-01  6.2888500000e-01 -8.2616400000e-01  1.6158070000e+00  1.4210880000e+00 -1.8867960000e+00
+ENERGY -1.526552317732e+02
+FORCES -4.9493000000e-03 -1.6926000000e-03 -1.1312000000e-03  9.6550000000e-04  3.6382000000e-03  1.9258000000e-03  3.6360000000e-03 -2.2347000000e-03 -9.8400000000e-05 -2.6652000000e-03 -2.8364000000e-03 -2.4516000000e-03  3.3950000000e-03  3.5955000000e-03 -1.9509000000e-03 -3.8200000000e-04 -4.7000000000e-04  3.7063000000e-03
+
+JOB 63
+COORDS  8.4977000000e-01 -1.5549540000e+00 -1.3524200000e+00  1.7994700000e-01 -1.2157210000e+00 -1.9461290000e+00  3.7252400000e-01 -2.1334820000e+00 -7.5763200000e-01 -7.4143900000e-01  1.5516640000e+00  1.3100560000e+00 -7.0121900000e-01  1.3766130000e+00  2.2502530000e+00 -1.5594220000e+00  2.0342180000e+00  1.1905660000e+00
+ENERGY -1.526536916320e+02
+FORCES -5.1082000000e-03  3.3880000000e-04  8.7250000000e-04  2.7203000000e-03 -1.9156000000e-03  1.7275000000e-03  2.0625000000e-03  1.6117000000e-03 -2.5884000000e-03 -2.6396000000e-03  1.5665000000e-03  3.6589000000e-03 -3.6560000000e-04  6.2100000000e-04 -3.9175000000e-03  3.3306000000e-03 -2.2224000000e-03  2.4700000000e-04
+
+JOB 64
+COORDS -1.3722900000e-01  1.2114510000e+00 -1.9698290000e+00  6.1216600000e-01  7.4021100000e-01 -1.6057240000e+00 -7.9923800000e-01  1.1797720000e+00 -1.2791980000e+00  6.7904000000e-02 -1.1838470000e+00  1.9027110000e+00  6.6420200000e-01 -4.3523300000e-01  1.9180830000e+00  6.2066000000e-01 -1.9353910000e+00  2.1168920000e+00
+ENERGY -1.526547081541e+02
+FORCES -3.1470000000e-04 -2.9283000000e-03  4.3726000000e-03 -2.4212000000e-03  2.4613000000e-03 -1.4339000000e-03  2.9683000000e-03  9.1320000000e-04 -3.0258000000e-03  4.7054000000e-03 -8.5720000000e-04  2.1665000000e-03 -2.7107000000e-03 -2.9239000000e-03 -1.1051000000e-03 -2.2271000000e-03  3.3350000000e-03 -9.7420000000e-04
+
+JOB 65
+COORDS  6.7824700000e-01  2.1261850000e+00 -3.6209900000e-01  1.5490790000e+00  2.1318980000e+00 -7.5940300000e-01  8.2066000000e-02  1.9631430000e+00 -1.0930000000e+00 -7.0272300000e-01 -2.0783420000e+00  3.7940300000e-01 -5.3879200000e-01 -1.7820990000e+00  1.2747230000e+00 -7.7549900000e-01 -3.0300780000e+00  4.5106400000e-01
+ENERGY -1.526547388110e+02
+FORCES  8.1020000000e-04 -1.5031000000e-03 -4.9125000000e-03 -3.3576000000e-03  2.4990000000e-04  1.6745000000e-03  2.5617000000e-03  1.4574000000e-03  2.8493000000e-03  5.5310000000e-04 -2.1124000000e-03  4.3618000000e-03 -9.0810000000e-04 -1.9510000000e-03 -3.5876000000e-03  3.4070000000e-04  3.8592000000e-03 -3.8540000000e-04
+
+JOB 66
+COORDS -1.8563000000e+00  1.3947200000e+00  5.8996900000e-01 -1.6882760000e+00  1.9018550000e+00 -2.0426900000e-01 -2.7300260000e+00  1.0263240000e+00  4.5913000000e-01  1.8654610000e+00 -1.3679530000e+00 -5.9803400000e-01  2.4954040000e+00 -2.0882970000e+00 -6.2057800000e-01  1.7204900000e+00 -1.2050020000e+00  3.3398700000e-01
+ENERGY -1.526547570353e+02
+FORCES -2.7186000000e-03  4.0080000000e-04 -4.3436000000e-03 -9.7300000000e-04 -1.7827000000e-03  3.4668000000e-03  3.4360000000e-03  1.5739000000e-03  6.9470000000e-04  1.5484000000e-03 -1.9348000000e-03  4.1154000000e-03 -2.5529000000e-03  2.8660000000e-03  3.5300000000e-05  1.2601000000e-03 -1.1233000000e-03 -3.9685000000e-03
+
+JOB 67
+COORDS -1.0133400000e-01 -1.9883210000e+00 -1.3775890000e+00 -3.2513500000e-01 -2.0023050000e+00 -2.3081530000e+00 -9.0041800000e-01 -1.6902320000e+00 -9.4303200000e-01  1.5269400000e-01  1.9229310000e+00  1.4334330000e+00  8.5033500000e-01  2.1923860000e+00  8.3600200000e-01 -4.6560700000e-01  2.6535960000e+00  1.4254720000e+00
+ENERGY -1.526543545668e+02
+FORCES -4.3064000000e-03  1.3468000000e-03 -1.3276000000e-03  9.9380000000e-04  1.6080000000e-04  3.6907000000e-03  3.0557000000e-03 -1.6632000000e-03 -2.3964000000e-03  9.9080000000e-04  3.9994000000e-03 -2.4822000000e-03 -3.0744000000e-03 -7.0320000000e-04  2.5847000000e-03  2.3405000000e-03 -3.1407000000e-03 -6.9200000000e-05
+
+JOB 68
+COORDS  5.4851100000e-01  1.7585960000e+00  1.5625370000e+00 -2.6698400000e-01  2.1400980000e+00  1.8875830000e+00  8.2318900000e-01  1.1552870000e+00  2.2530450000e+00 -4.5114900000e-01 -1.7727560000e+00 -1.6274570000e+00 -7.0961600000e-01 -8.5783400000e-01 -1.5163540000e+00 -1.2778170000e+00 -2.2548620000e+00 -1.6480850000e+00
+ENERGY -1.526546068325e+02
+FORCES -1.5696000000e-03 -9.7510000000e-04  4.6331000000e-03  3.1552000000e-03 -1.7131000000e-03 -1.6442000000e-03 -1.3249000000e-03  2.7467000000e-03 -2.7315000000e-03 -4.0177000000e-03  2.3849000000e-03  4.6400000000e-04  4.6980000000e-04 -4.3310000000e-03 -9.1000000000e-04  3.2872000000e-03  1.8877000000e-03  1.8870000000e-04
+
+JOB 69
+COORDS  1.4448080000e+00 -5.1198500000e-01 -1.9727060000e+00  6.8672300000e-01 -5.8351300000e-01 -2.5527260000e+00  1.0703200000e+00 -4.6414400000e-01 -1.0931030000e+00 -1.4093430000e+00  4.6270400000e-01  1.9124430000e+00 -1.8262430000e+00  1.3137440000e+00  2.0471970000e+00 -6.2728900000e-01  4.8859100000e-01  2.4637630000e+00
+ENERGY -1.526553502753e+02
+FORCES -5.2428000000e-03 -1.3880000000e-04  1.5390000000e-03  3.2282000000e-03  2.8540000000e-04  1.9510000000e-03  2.4396000000e-03 -2.4720000000e-04 -3.7781000000e-03  8.4520000000e-04  3.9070000000e-03  3.6375000000e-03  1.7911000000e-03 -3.5902000000e-03 -5.6850000000e-04 -3.0613000000e-03 -2.1620000000e-04 -2.7809000000e-03
+
+JOB 70
+COORDS  1.7500090000e+00  1.2027850000e+00  1.1481100000e+00  2.5959110000e+00  1.0367780000e+00  7.3202800000e-01  1.9353330000e+00  1.8670050000e+00  1.8119620000e+00 -1.8004770000e+00 -1.2868800000e+00 -1.1737410000e+00 -2.0172660000e+00 -5.5982100000e-01 -1.7573670000e+00 -1.5663750000e+00 -8.6813500000e-01 -3.4544100000e-01
+ENERGY -1.526552487654e+02
+FORCES  4.7434000000e-03  1.9282000000e-03  1.0528000000e-03 -3.4694000000e-03  8.9870000000e-04  1.8175000000e-03 -8.2170000000e-04 -2.7062000000e-03 -2.7709000000e-03  7.6060000000e-04  5.0332000000e-03  1.4609000000e-03  6.0670000000e-04 -3.0056000000e-03  2.0510000000e-03 -1.8196000000e-03 -2.1483000000e-03 -3.6114000000e-03
+
+JOB 71
+COORDS -7.4044300000e-01 -9.4038700000e-01  2.1553510000e+00 -1.0635000000e-02 -4.9097500000e-01  2.5815450000e+00 -9.4067600000e-01 -1.6756700000e+00  2.7345730000e+00  7.3747000000e-01  9.4551800000e-01 -2.2630330000e+00  1.1621080000e+00  1.3189670000e+00 -1.4907310000e+00 -1.7960900000e-01  8.4530600000e-01 -2.0077760000e+00
+ENERGY -1.526546705194e+02
+FORCES  2.0759000000e-03 -1.7754000000e-03  4.3988000000e-03 -2.9740000000e-03 -1.5431000000e-03 -2.0172000000e-03  8.4550000000e-04  3.1181000000e-03 -2.2781000000e-03 -2.4430000000e-03  5.5930000000e-04  4.6497000000e-03 -1.3216000000e-03 -1.2000000000e-03 -3.1647000000e-03  3.8171000000e-03  8.4110000000e-04 -1.5886000000e-03
+
+JOB 72
+COORDS -8.0213300000e-01  2.1610600000e-01  2.3869510000e+00 -1.8312800000e-01 -5.1082000000e-01  2.4550960000e+00 -3.8019700000e-01  9.3545500000e-01  2.8567790000e+00  6.8301900000e-01 -1.8017500000e-01 -2.4009700000e+00  8.1012200000e-01 -9.9366200000e-01 -2.8891470000e+00  1.5657100000e+00  8.5147000000e-02 -2.1427190000e+00
+ENERGY -1.526533695241e+02
+FORCES  4.1846000000e-03 -5.3600000000e-05  1.6260000000e-03 -2.4169000000e-03  2.9305000000e-03  3.9600000000e-05 -1.6631000000e-03 -2.9339000000e-03 -1.8422000000e-03  3.8596000000e-03 -2.1013000000e-03 -8.8140000000e-04 -4.7430000000e-04  3.3140000000e-03  2.0621000000e-03 -3.4900000000e-03 -1.1557000000e-03 -1.0041000000e-03
+
+JOB 73
+COORDS  1.7524010000e+00  1.1393720000e+00 -1.6216030000e+00  1.2531320000e+00  1.9559470000e+00 -1.6345480000e+00  1.0928770000e+00  4.5319200000e-01 -1.7236690000e+00 -1.6712930000e+00 -1.1960180000e+00  1.5748260000e+00 -1.4160760000e+00 -1.2658450000e+00  2.4947290000e+00 -2.1348010000e+00 -3.6051700000e-01  1.5171240000e+00
+ENERGY -1.526544642936e+02
+FORCES -4.8307000000e-03 -5.2000000000e-06 -2.9740000000e-04  1.9836000000e-03 -3.1413000000e-03  1.1600000000e-04  2.8429000000e-03  3.2526000000e-03  9.1000000000e-06 -7.3630000000e-04  2.9060000000e-03  4.0828000000e-03 -1.2441000000e-03  3.0860000000e-04 -3.7845000000e-03  1.9845000000e-03 -3.3207000000e-03 -1.2590000000e-04
+
+JOB 74
+COORDS -6.6352500000e-01 -6.5388500000e-01 -2.6212630000e+00 -8.1584000000e-01  2.9093000000e-01 -2.6401680000e+00  1.7751400000e-01 -7.7027700000e-01 -3.0632340000e+00  5.6423800000e-01  5.8745900000e-01  2.6873030000e+00  9.7097300000e-01  1.1750400000e-01  1.9593320000e+00  1.1028560000e+00  1.3709570000e+00  2.7979960000e+00
+ENERGY -1.526540879742e+02
+FORCES  2.3177000000e-03  3.3989000000e-03 -2.2156000000e-03  8.8450000000e-04 -3.9263000000e-03  9.6600000000e-05 -3.3144000000e-03  5.1080000000e-04  2.0849000000e-03  3.6723000000e-03  9.0900000000e-04 -2.6193000000e-03 -1.3587000000e-03  2.2213000000e-03  3.1872000000e-03 -2.2014000000e-03 -3.1136000000e-03 -5.3380000000e-04
+
+JOB 75
+COORDS  6.8360600000e-01  8.0105900000e-01  2.6647550000e+00  2.5233400000e-01  1.6516830000e+00  2.5830610000e+00 -2.9952000000e-02  1.8525000000e-01  2.8316280000e+00 -6.3727200000e-01 -8.7477100000e-01 -2.6749070000e+00 -3.0176500000e-01 -2.7188500000e-01 -3.3383800000e+00 -7.7965900000e-01 -3.2702000000e-01 -1.9029450000e+00
+ENERGY -1.526541118509e+02
+FORCES -4.4845000000e-03  8.2490000000e-04  1.0173000000e-03  1.7249000000e-03 -3.5621000000e-03 -2.8900000000e-05  2.8787000000e-03  2.6985000000e-03 -9.6260000000e-04  1.2545000000e-03  4.6890000000e-03  5.5870000000e-04 -1.5029000000e-03 -2.4325000000e-03  2.6280000000e-03  1.2940000000e-04 -2.2177000000e-03 -3.2126000000e-03
+
+JOB 76
+COORDS -3.1120600000e-01  2.2088210000e+00 -1.9545100000e+00  3.9649000000e-02  3.0709280000e+00 -2.1779020000e+00  3.8790100000e-01  1.7873700000e+00 -1.4546480000e+00  1.8932000000e-01 -2.2568420000e+00  1.9205290000e+00  1.0354710000e+00 -2.6331580000e+00  1.6783600000e+00  4.0835300000e-01 -1.5254150000e+00  2.4978250000e+00
+ENERGY -1.526537909078e+02
+FORCES  4.1465000000e-03  1.5599000000e-03  1.1274000000e-03 -1.4148000000e-03 -3.5278000000e-03  9.5430000000e-04 -2.6622000000e-03  1.9579000000e-03 -2.0308000000e-03  4.1104000000e-03  1.1990000000e-03  1.5588000000e-03 -3.4282000000e-03  1.7173000000e-03  9.1770000000e-04 -7.5160000000e-04 -2.9064000000e-03 -2.5273000000e-03
+
+JOB 77
+COORDS -1.0404700000e-01 -2.9537340000e+00 -4.7034900000e-01  2.2927800000e-01 -3.6319800000e+00  1.1710900000e-01 -1.8944300000e-01 -3.3908630000e+00 -1.3176140000e+00  3.9088000000e-02  3.0446810000e+00  5.3032300000e-01  5.0003600000e-01  3.5340840000e+00 -1.5103100000e-01  3.8122000000e-01  2.1535750000e+00  4.5886300000e-01
+ENERGY -1.526545475003e+02
+FORCES  7.4390000000e-04 -4.8139000000e-03 -1.0232000000e-03 -1.2812000000e-03  2.8293000000e-03 -2.4479000000e-03  4.4920000000e-04  1.8306000000e-03  3.4585000000e-03  3.1067000000e-03 -2.1136000000e-03 -3.1148000000e-03 -1.8291000000e-03 -1.8374000000e-03  2.7427000000e-03 -1.1894000000e-03  4.1049000000e-03  3.8470000000e-04
+
+JOB 78
+COORDS -1.8095500000e+00  2.5036220000e+00  8.5158000000e-02 -1.3718280000e+00  1.8273750000e+00 -4.3187300000e-01 -2.1670220000e+00  3.1087540000e+00 -5.6465800000e-01  1.7963990000e+00 -2.4317540000e+00 -4.2180000000e-03  2.3766700000e+00 -2.8103190000e+00 -6.6467700000e-01  1.3309460000e+00 -3.1823270000e+00  3.6487000000e-01
+ENERGY -1.526543715579e+02
+FORCES  6.9620000000e-04 -5.6450000000e-04 -4.6623000000e-03 -2.1605000000e-03  3.0522000000e-03  1.9549000000e-03  1.3821000000e-03 -2.4042000000e-03  2.6183000000e-03  6.3420000000e-04 -4.7706000000e-03 -8.8750000000e-04 -2.4480000000e-03  1.6087000000e-03  2.6219000000e-03  1.8960000000e-03  3.0784000000e-03 -1.6454000000e-03
+
+JOB 79
+COORDS  1.2942260000e+00  2.1609570000e+00 -1.9224940000e+00  6.9390200000e-01  2.4621370000e+00 -1.2404870000e+00  1.7266670000e+00  2.9574570000e+00 -2.2304120000e+00 -1.3183430000e+00 -2.2805040000e+00  1.9213240000e+00 -6.7570700000e-01 -1.7584520000e+00  2.4016490000e+00 -1.3445420000e+00 -1.8861590000e+00  1.0495230000e+00
+ENERGY -1.526542085182e+02
+FORCES -5.0780000000e-04  4.7769000000e-03  1.2108000000e-03  2.3881000000e-03 -1.5511000000e-03 -2.6055000000e-03 -1.8091000000e-03 -3.2738000000e-03  1.3243000000e-03  2.7379000000e-03  3.5422000000e-03 -1.8164000000e-03 -2.7321000000e-03 -2.0087000000e-03 -1.8486000000e-03 -7.7100000000e-05 -1.4855000000e-03  3.7354000000e-03
+
+JOB 80
+COORDS -3.0657610000e+00 -1.0545300000e+00  2.7849600000e-01 -3.4338590000e+00 -1.7597450000e+00 -2.5386500000e-01 -3.4320360000e+00 -1.1965340000e+00  1.1513690000e+00  3.1175350000e+00  1.1040520000e+00 -3.5763200000e-01  3.2929210000e+00  4.3534700000e-01  3.0441600000e-01  2.7166610000e+00  1.8242540000e+00  1.2903200000e-01
+ENERGY -1.526540431323e+02
+FORCES -3.0293000000e-03 -3.5096000000e-03  1.1619000000e-03  1.4550000000e-03  2.8691000000e-03  2.2613000000e-03  1.5816000000e-03  6.2560000000e-04 -3.4970000000e-03 -1.4150000000e-03  9.6800000000e-05  4.6496000000e-03 -4.7820000000e-04  2.7270000000e-03 -2.6509000000e-03  1.8859000000e-03 -2.8088000000e-03 -1.9249000000e-03
+
+JOB 81
+COORDS -9.4443700000e-01 -1.9491290000e+00  3.0859270000e+00 -2.0462800000e-01 -1.3481400000e+00  2.9980230000e+00 -1.5292290000e+00 -1.5201210000e+00  3.7105880000e+00  9.5629600000e-01  1.9293950000e+00 -3.0571240000e+00  1.4749720000e+00  1.4107020000e+00 -3.6720750000e+00  5.6278000000e-02  1.8456690000e+00 -3.3720660000e+00
+ENERGY -1.526542804449e+02
+FORCES  7.1980000000e-04  4.3189000000e-03  2.0989000000e-03 -3.0489000000e-03 -2.5439000000e-03  4.6870000000e-04  2.3322000000e-03 -1.7849000000e-03 -2.5164000000e-03 -1.6011000000e-03 -2.5529000000e-03 -3.8421000000e-03 -2.0862000000e-03  2.1538000000e-03  2.5078000000e-03  3.6841000000e-03  4.0900000000e-04  1.2830000000e-03
+
+JOB 82
+COORDS -9.6742900000e-01 -1.0904410000e+00 -3.4616510000e+00 -1.1867620000e+00 -2.6321200000e-01 -3.8903900000e+00 -7.1607800000e-01 -1.6729660000e+00 -4.1783930000e+00  9.9786900000e-01  1.1011300000e+00  3.4819850000e+00  5.2510400000e-01  2.6923800000e-01  3.4558820000e+00  8.5764500000e-01  1.4290850000e+00  4.3702490000e+00
+ENERGY -1.526540804224e+02
+FORCES  2.4660000000e-04  1.1367000000e-03 -4.6375000000e-03  8.2690000000e-04 -3.4336000000e-03  1.6916000000e-03 -1.0579000000e-03  2.3320000000e-03  2.9240000000e-03 -2.5763000000e-03 -2.1872000000e-03  3.3186000000e-03  1.9684000000e-03  3.4442000000e-03  2.9630000000e-04  5.9240000000e-04 -1.2922000000e-03 -3.5931000000e-03
+
+JOB 83
+COORDS -3.6741120000e+00 -7.8694500000e-01 -2.6148200000e-01 -4.3502690000e+00 -4.9445200000e-01 -8.7262200000e-01 -4.1580560000e+00 -1.2135330000e+00  4.4566200000e-01  3.7030930000e+00  8.2226100000e-01  3.0062500000e-01  3.6333760000e+00 -1.0385600000e-01  6.8940000000e-02  4.3826060000e+00  1.1644620000e+00 -2.8023100000e-01
+ENERGY -1.526539619227e+02
+FORCES -4.6976000000e-03 -4.0960000000e-04  4.8010000000e-04  2.7506000000e-03 -1.2388000000e-03  2.4599000000e-03  1.9609000000e-03  1.6839000000e-03 -2.9207000000e-03  2.2123000000e-03 -2.4494000000e-03 -3.3827000000e-03  4.8230000000e-04  3.7760000000e-03  9.7850000000e-04 -2.7085000000e-03 -1.3621000000e-03  2.3848000000e-03
+
+JOB 84
+COORDS  1.1312880000e+00 -3.5320050000e+00 -1.1499310000e+00  1.6719510000e+00 -2.8078210000e+00 -8.3454000000e-01  9.6145600000e-01 -3.3224410000e+00 -2.0683380000e+00 -1.2164000000e+00  3.4995630000e+00  1.2013000000e+00 -9.3521700000e-01  2.9632280000e+00  4.6000800000e-01 -4.0666400000e-01  3.7089840000e+00  1.6668120000e+00
+ENERGY -1.526538490881e+02
+FORCES  1.5208000000e-03  3.6267000000e-03 -2.4944000000e-03 -2.2526000000e-03 -2.8284000000e-03 -1.2848000000e-03  7.0620000000e-04 -7.6300000000e-04  3.8017000000e-03  4.3575000000e-03 -1.3232000000e-03 -1.0329000000e-03 -1.0556000000e-03  2.1745000000e-03  2.9747000000e-03 -3.2763000000e-03 -8.8660000000e-04 -1.9643000000e-03
+
+JOB 85
+COORDS  2.7402400000e-01  3.5788080000e+00  1.4767900000e+00 -4.8427100000e-01  3.1268520000e+00  1.1067140000e+00  1.1394900000e-01  3.5829100000e+00  2.4205010000e+00 -2.8230400000e-01 -3.5064500000e+00 -1.5071030000e+00  1.2355000000e-02 -4.0946040000e+00 -2.2024330000e+00  3.0366200000e-01 -3.6903210000e+00 -7.7289000000e-01
+ENERGY -1.526542168766e+02
+FORCES -3.8196000000e-03 -1.9170000000e-03  2.2068000000e-03  3.1103000000e-03  1.9495000000e-03  1.6096000000e-03  6.9490000000e-04 -3.6000000000e-06 -3.7980000000e-03  3.7026000000e-03 -3.1382000000e-03  8.1200000000e-05 -1.2276000000e-03  2.3726000000e-03  2.8512000000e-03 -2.4605000000e-03  7.3670000000e-04 -2.9508000000e-03
+
+JOB 86
+COORDS  2.0011160000e+00 -1.1574720000e+00  3.3223180000e+00  1.3993520000e+00 -4.4030500000e-01  3.5217760000e+00  1.4997890000e+00 -1.7396470000e+00  2.7513740000e+00 -1.9918990000e+00  1.1062880000e+00 -3.2995900000e+00 -1.3489850000e+00  1.1628000000e+00 -4.0064840000e+00 -1.7020240000e+00  1.7558450000e+00 -2.6590590000e+00
+ENERGY -1.526541679669e+02
+FORCES -4.5641000000e-03  4.2890000000e-04 -1.4710000000e-03  2.4916000000e-03 -2.8492000000e-03 -8.4850000000e-04  2.0972000000e-03  2.4304000000e-03  2.3353000000e-03  3.7995000000e-03  2.9626000000e-03 -4.4950000000e-04 -2.6341000000e-03 -2.4650000000e-04  2.9318000000e-03 -1.1901000000e-03 -2.7262000000e-03 -2.4980000000e-03
+
+JOB 87
+COORDS  3.3868510000e+00 -1.3053600000e+00  1.7009300000e+00  4.2256680000e+00 -1.6014460000e+00  1.3474460000e+00  3.2676870000e+00 -1.8200520000e+00  2.4991320000e+00 -3.4328640000e+00  1.3079980000e+00 -1.6664370000e+00 -2.8034570000e+00  2.0169370000e+00 -1.7986650000e+00 -3.9384190000e+00  1.2812910000e+00 -2.4787990000e+00
+ENERGY -1.526539976228e+02
+FORCES  2.7983000000e-03 -3.3700000000e-03  1.8337000000e-03 -3.3935000000e-03  1.2406000000e-03  1.4218000000e-03  5.6590000000e-04  2.1097000000e-03 -3.2453000000e-03  7.1840000000e-04  2.7449000000e-03 -3.7842000000e-03 -2.6981000000e-03 -2.8270000000e-03  4.7300000000e-04  2.0090000000e-03  1.0180000000e-04  3.3011000000e-03
+
+JOB 88
+COORDS -1.4515400000e-01  4.1795590000e+00  9.7829900000e-01 -2.3705400000e-01  3.9776460000e+00  1.9094370000e+00 -7.2476100000e-01  3.5569530000e+00  5.3938100000e-01  1.4006800000e-01 -4.1690340000e+00 -9.9393600000e-01  2.8961700000e-01 -3.7818170000e+00 -1.8564500000e+00  8.3983600000e-01 -3.8129690000e+00 -4.4642000000e-01
+ENERGY -1.526541501177e+02
+FORCES -2.8534000000e-03 -3.2817000000e-03  2.0602000000e-03  4.2490000000e-04  7.9750000000e-04 -3.8186000000e-03  2.4487000000e-03  2.5052000000e-03  1.7546000000e-03  3.5699000000e-03  2.9147000000e-03 -1.3569000000e-03 -6.6300000000e-04 -1.5357000000e-03  3.5571000000e-03 -2.9271000000e-03 -1.4000000000e-03 -2.1965000000e-03
+
+JOB 89
+COORDS -1.9150200000e-01  1.3454630000e+00  4.1074680000e+00 -4.0182000000e-02  1.4911600000e+00  5.0413340000e+00  6.3921400000e-01  9.9988300000e-01  3.7807930000e+00  1.0026400000e-01 -1.3569230000e+00 -4.1103090000e+00  5.5537500000e-01 -5.3824800000e-01 -3.9131360000e+00  5.9141600000e-01 -1.7348610000e+00 -4.8398040000e+00
+ENERGY -1.526539962800e+02
+FORCES  3.9528000000e-03 -9.1370000000e-04  2.4643000000e-03 -6.0490000000e-04 -5.7000000000e-04 -3.8114000000e-03 -3.3468000000e-03  1.4776000000e-03  1.3357000000e-03  3.7750000000e-03  1.8584000000e-03 -2.1603000000e-03 -1.7913000000e-03 -3.3792000000e-03 -8.1670000000e-04 -1.9848000000e-03  1.5269000000e-03  2.9883000000e-03
+
+JOB 0
+COORDS -4.3168200000e-01 -1.8592600000e-01 -1.2939890000e+00  8.3608000000e-02 -9.7134000000e-02 -4.9222600000e-01  1.8868300000e-01 -5.1920300000e-01 -1.9422990000e+00  4.1247000000e-01  1.6645700000e-01  1.2640330000e+00  3.7141500000e-01  1.1161760000e+00  1.3761910000e+00 -4.6013300000e-01 -1.4198700000e-01  1.5082850000e+00
+ENERGY -1.526610434227e+02
+FORCES  7.3106000000e-03  8.4490000000e-04  1.1743500000e-02 -6.0013000000e-03 -1.0782000000e-03 -9.6465000000e-03 -6.5270000000e-04  1.3132000000e-03  3.4737000000e-03 -5.7264000000e-03  2.0476000000e-03 -9.5880000000e-04 -2.0590000000e-04 -5.3471000000e-03 -1.5742000000e-03  5.2758000000e-03  2.2196000000e-03 -3.0376000000e-03
+
+JOB 1
+COORDS  1.0257110000e+00 -4.2833000000e-02  7.8467800000e-01  1.7418460000e+00  5.0353700000e-01  1.1085040000e+00  1.0094810000e+00 -7.9371100000e-01  1.3781010000e+00 -1.1189590000e+00  3.6015000000e-02 -8.3983400000e-01 -4.5895000000e-01  1.0228300000e-01 -1.4974100000e-01 -6.9260800000e-01  4.0048100000e-01 -1.6154760000e+00
+ENERGY -1.526595845958e+02
+FORCES -3.7269000000e-03  3.5710000000e-04 -2.0905000000e-03 -2.6012000000e-03 -4.1346000000e-03 -1.0477000000e-03  4.8290000000e-04  4.8188000000e-03 -2.5468000000e-03  1.4162700000e-02  1.3103000000e-03  6.6119000000e-03 -7.0453000000e-03 -1.8982000000e-03 -2.6935000000e-03 -1.2723000000e-03 -4.5320000000e-04  1.7665000000e-03
+
+JOB 2
+COORDS -7.9559900000e-01 -2.0572100000e-01  1.1156820000e+00 -1.9296000000e-02 -4.9816000000e-01  6.3812000000e-01 -1.4591940000e+00 -8.6831500000e-01  9.2373600000e-01  8.1452700000e-01  2.4621300000e-01 -1.0135380000e+00 -5.3910000000e-03  7.1867800000e-01 -1.1575630000e+00  1.1405940000e+00  5.7618000000e-02 -1.8935060000e+00
+ENERGY -1.526596772199e+02
+FORCES  6.8725000000e-03 -3.4615000000e-03 -6.7283000000e-03 -6.3672000000e-03  6.8480000000e-04  4.8737000000e-03  2.3818000000e-03  2.8112000000e-03 -6.5600000000e-04 -4.7501000000e-03  2.3829000000e-03  4.3590000000e-04  4.9700000000e-03 -3.5687000000e-03 -1.5821000000e-03 -3.1071000000e-03  1.1513000000e-03  3.6568000000e-03
+
+JOB 3
+COORDS  1.1357760000e+00 -1.8163000000e-02  6.3422400000e-01  1.9504410000e+00  4.7756900000e-01  7.1670200000e-01  1.1336650000e+00 -6.0402200000e-01  1.3911890000e+00 -1.2062260000e+00 -5.5120000000e-03 -7.3811000000e-01 -1.7134870000e+00  3.7538300000e-01 -2.1286000000e-02 -2.9341100000e-01  1.4665900000e-01 -4.9347800000e-01
+ENERGY -1.526595674018e+02
+FORCES -3.8314000000e-03 -2.2861000000e-03  2.7200000000e-05 -4.1350000000e-03 -2.8548000000e-03  4.1230000000e-04  1.6495000000e-03  4.0410000000e-03 -2.6442000000e-03  1.1241000000e-02  1.9321000000e-03  8.8897000000e-03  8.0050000000e-04 -1.5278000000e-03 -1.6450000000e-03 -5.7246000000e-03  6.9570000000e-04 -5.0401000000e-03
+
+JOB 4
+COORDS  2.7666900000e-01 -8.8909600000e-01 -1.0082130000e+00  7.6035800000e-01 -1.6944560000e+00 -1.1917110000e+00  9.3302300000e-01 -1.9524600000e-01 -1.0714980000e+00 -3.5287100000e-01  9.2069700000e-01  1.0755300000e+00 -1.2859300000e-01  7.7020000000e-03  8.9560800000e-01 -8.4297000000e-02  1.3935180000e+00  2.8778600000e-01
+ENERGY -1.526553619540e+02
+FORCES  3.7851000000e-03  8.3980000000e-04 -1.9975000000e-03 -2.3053000000e-03  4.2990000000e-03  1.8076000000e-03 -4.7644000000e-03 -1.6725000000e-03  2.8856000000e-03  2.4010000000e-04 -7.3897000000e-03 -9.2987000000e-03  1.3996000000e-03  5.0163000000e-03  4.8616000000e-03  1.6449000000e-03 -1.0929000000e-03  1.7414000000e-03
+
+JOB 5
+COORDS -2.8496700000e-01 -1.2783330000e+00  6.4282800000e-01 -4.1672100000e-01 -3.8010800000e-01  3.3940700000e-01  6.3777600000e-01 -1.4592120000e+00  4.6377200000e-01  2.9396400000e-01  1.2262910000e+00 -5.8073000000e-01  3.1986000000e-01  1.3060800000e+00 -1.5342470000e+00 -6.2397500000e-01  1.3729780000e+00 -3.5247100000e-01
+ENERGY -1.526549268768e+02
+FORCES  8.5180000000e-03  9.5069000000e-03 -6.1388000000e-03 -8.2442000000e-03  9.9440000000e-04  2.6195000000e-03 -2.7142000000e-03 -2.2607000000e-03  1.1739000000e-03 -2.8767000000e-03 -5.1920000000e-04 -3.7847000000e-03 -3.8000000000e-06 -1.2900000000e-04  5.0351000000e-03  5.3209000000e-03 -7.5923000000e-03  1.0950000000e-03
+
+JOB 6
+COORDS  1.2619700000e+00  5.6715800000e-01 -4.7681800000e-01  1.6987660000e+00  3.6833800000e-01  3.5138000000e-01  4.4200800000e-01  7.4680000000e-02 -4.3996000000e-01 -1.2012940000e+00 -4.6993500000e-01  3.9389100000e-01 -1.0941340000e+00 -7.6639900000e-01  1.2976930000e+00 -1.8676570000e+00 -1.0515530000e+00  2.7950000000e-02
+ENERGY -1.526593277468e+02
+FORCES -1.0049000000e-02 -5.1490000000e-03  5.5923000000e-03 -1.2511000000e-03  5.3370000000e-04 -1.8456000000e-03  8.0342000000e-03  2.2811000000e-03 -3.5362000000e-03 -5.9800000000e-05 -1.3051000000e-03  2.2393000000e-03 -2.7320000000e-04  9.1270000000e-04 -4.7893000000e-03  3.5989000000e-03  2.7265000000e-03  2.3395000000e-03
+
+JOB 7
+COORDS -1.1400500000e+00 -6.4462900000e-01  6.8609900000e-01 -3.4064900000e-01 -8.5797200000e-01  2.0477400000e-01 -1.3375400000e+00  2.5779200000e-01  4.3536700000e-01  1.1333810000e+00  5.5809600000e-01 -6.0793400000e-01  6.9357600000e-01  5.2034500000e-01 -1.4572740000e+00  1.0262020000e+00  1.4653750000e+00 -3.2229800000e-01
+ENERGY -1.526556349361e+02
+FORCES  1.0239900000e-02  6.4783000000e-03 -4.6369000000e-03 -5.6965000000e-03 -3.9448000000e-03 -8.7100000000e-05 -1.3549000000e-03 -1.3879000000e-03  5.4310000000e-04 -2.5453000000e-03  4.2894000000e-03  2.0430000000e-04  9.0700000000e-05 -1.1753000000e-03  5.9634000000e-03 -7.3400000000e-04 -4.2597000000e-03 -1.9869000000e-03
+
+JOB 8
+COORDS  1.2248100000e+00 -1.4723700000e-01  7.0495800000e-01  2.1374280000e+00 -4.1344000000e-01  5.9317300000e-01  8.5429000000e-01 -1.8425900000e-01 -1.7684500000e-01 -1.2413590000e+00  1.2035200000e-01 -7.0018000000e-01 -1.7320670000e+00 -6.5364000000e-02  1.0041200000e-01 -9.6591700000e-01  1.0322910000e+00 -6.0673900000e-01
+ENERGY -1.526590833959e+02
+FORCES -3.1707000000e-03 -2.1661000000e-03 -5.3160000000e-03 -4.2855000000e-03  8.0290000000e-04 -9.7990000000e-04  7.0983000000e-03  3.0784000000e-03  4.3286000000e-03 -1.3748000000e-03  2.3388000000e-03  7.8064000000e-03  7.8000000000e-04  1.3156000000e-03 -4.4246000000e-03  9.5260000000e-04 -5.3697000000e-03 -1.4146000000e-03
+
+JOB 9
+COORDS -4.0944200000e-01 -1.1333980000e+00 -7.8630000000e-01 -7.5775100000e-01 -1.5739120000e+00 -1.1149000000e-02 -1.0275120000e+00 -4.2256600000e-01 -9.5641400000e-01  4.3418800000e-01  1.1582730000e+00  8.0321700000e-01 -5.7491000000e-02  8.0412500000e-01  6.2229000000e-02  1.3276780000e+00  8.4094600000e-01  6.7202100000e-01
+ENERGY -1.526530201742e+02
+FORCES -4.0500000000e-03  2.0400000000e-04  5.6276000000e-03  1.6016000000e-03  1.8765000000e-03 -4.5333000000e-03  7.6036000000e-03  1.8450000000e-03  4.2721000000e-03  3.0838000000e-03 -9.7899000000e-03 -7.1209000000e-03 -6.0379000000e-03  3.1863000000e-03 -3.8850000000e-04 -2.2011000000e-03  2.6781000000e-03  2.1430000000e-03
+
+JOB 10
+COORDS  1.2613260000e+00  4.0067100000e-01 -5.3776300000e-01  1.1849960000e+00  1.3246440000e+00 -7.7584100000e-01  1.5005310000e+00  4.1061500000e-01  3.8901300000e-01 -1.3093280000e+00 -4.0177200000e-01  5.1058200000e-01 -3.8158700000e-01 -5.1008400000e-01  7.1985700000e-01 -1.5459200000e+00 -1.2046530000e+00  4.6213000000e-02
+ENERGY -1.526524191203e+02
+FORCES -3.8266000000e-03  5.9168000000e-03  1.5369000000e-03  1.8887000000e-03 -3.9633000000e-03  8.6560000000e-04 -5.1148000000e-03 -3.1321000000e-03 -3.0881000000e-03  8.2032000000e-03 -1.7844000000e-03 -6.6171000000e-03 -1.3461000000e-03  1.6980000000e-04  5.2651000000e-03  1.9560000000e-04  2.7932000000e-03  2.0377000000e-03
+
+JOB 11
+COORDS -7.6387200000e-01 -8.6366500000e-01  7.5288900000e-01 -6.1714300000e-01 -1.5780940000e+00  1.3728030000e+00 -1.6163430000e+00 -5.0416200000e-01  9.9841700000e-01  8.1008700000e-01  9.3765200000e-01 -7.8247900000e-01  2.7767500000e-01  2.2255300000e-01 -4.3405000000e-01  1.1930710000e+00  5.8283600000e-01 -1.5847630000e+00
+ENERGY -1.526613437379e+02
+FORCES -7.6000000000e-06  4.2110000000e-04  2.9213000000e-03 -2.3481000000e-03  3.0921000000e-03 -2.2159000000e-03  4.0342000000e-03 -2.6072000000e-03 -6.2180000000e-04 -4.1702000000e-03 -7.7354000000e-03  3.4860000000e-03  3.9457000000e-03  6.6280000000e-03 -6.4977000000e-03 -1.4539000000e-03  2.0140000000e-04  2.9281000000e-03
+
+JOB 12
+COORDS  1.1277000000e+00  6.6214600000e-01  6.7900000000e-01  9.3260700000e-01  1.5838480000e+00  8.4822500000e-01  5.0110100000e-01  4.0442900000e-01  2.8440000000e-03 -1.0385040000e+00 -6.8033700000e-01 -6.0018800000e-01 -1.7534100000e+00 -2.4738800000e-01 -1.0667670000e+00 -9.9585400000e-01 -1.5555840000e+00 -9.8535800000e-01
+ENERGY -1.526596986093e+02
+FORCES -8.5432000000e-03 -2.6762000000e-03 -4.1520000000e-03 -2.4790000000e-04 -2.9874000000e-03 -1.1207000000e-03  7.4185000000e-03  5.9053000000e-03  2.9625000000e-03 -1.3491000000e-03 -2.9413000000e-03 -1.2497000000e-03  4.0172000000e-03 -1.8063000000e-03  2.2410000000e-03 -1.2956000000e-03  4.5059000000e-03  1.3189000000e-03
+
+JOB 13
+COORDS  1.3491690000e+00 -2.0844500000e-01 -4.1945600000e-01  1.3798040000e+00 -1.1587010000e+00 -5.3038600000e-01  1.1443030000e+00  1.2850800000e-01 -1.2916510000e+00 -1.3942500000e+00  2.6310900000e-01  4.6549300000e-01 -1.1026390000e+00  3.3929900000e-01  1.3740030000e+00 -6.2285200000e-01 -4.6839000000e-02 -8.9640000000e-03
+ENERGY -1.526587563442e+02
+FORCES  2.8088000000e-03 -1.1523000000e-03 -3.8802000000e-03 -2.5398000000e-03  5.6274000000e-03  1.0416000000e-03 -1.8430000000e-03 -2.7816000000e-03  6.0740000000e-03  1.2501100000e-02 -9.6960000000e-04  1.2207000000e-03 -2.3553000000e-03 -3.8040000000e-04 -2.0504000000e-03 -8.5719000000e-03 -3.4360000000e-04 -2.4057000000e-03
+
+JOB 14
+COORDS  5.4267200000e-01  7.1884000000e-02  1.3392190000e+00 -1.9418100000e-01  6.2804200000e-01  1.0863000000e+00  1.2393770000e+00  6.8658100000e-01  1.5693920000e+00 -5.0060900000e-01 -1.1061400000e-01 -1.3834060000e+00 -3.0027300000e-01 -2.5006400000e-01 -4.5785100000e-01 -1.3591520000e+00 -5.1548100000e-01 -1.5067670000e+00
+ENERGY -1.526559646457e+02
+FORCES  2.8245000000e-03  6.6392000000e-03 -3.0020000000e-04  3.0785000000e-03 -8.1143000000e-03 -4.7039000000e-03 -3.8194000000e-03 -2.6070000000e-03  1.1750000000e-04  2.4317000000e-03 -4.3103000000e-03  4.8314000000e-03 -7.8631000000e-03  6.4080000000e-03 -1.9609000000e-03  3.3479000000e-03  1.9843000000e-03  2.0160000000e-03
+
+JOB 15
+COORDS -6.2854200000e-01 -1.0293810000e+00  8.4543400000e-01  8.8800000000e-03 -4.1807700000e-01  4.7633600000e-01 -9.8366000000e-02 -1.6806110000e+00  1.3048290000e+00  6.2206600000e-01  1.0328980000e+00 -7.9687600000e-01  5.7009100000e-01  5.2566400000e-01 -1.6069650000e+00 -2.0504200000e-01  1.5133600000e+00 -7.6108000000e-01
+ENERGY -1.526616118453e+02
+FORCES  6.7959000000e-03  4.9489000000e-03 -2.4616000000e-03 -6.1824000000e-03 -7.7230000000e-03  4.7000000000e-03 -8.8150000000e-04  2.6268000000e-03 -2.3144000000e-03 -4.4584000000e-03  1.6475000000e-03 -5.1277000000e-03  2.2220000000e-04  1.9407000000e-03  4.9776000000e-03  4.5042000000e-03 -3.4409000000e-03  2.2600000000e-04
+
+JOB 16
+COORDS -9.6456300000e-01 -7.8858500000e-01 -6.1283900000e-01 -1.4069660000e+00 -2.2575200000e-01 -1.2482370000e+00 -1.4507490000e+00 -1.6125770000e+00 -6.4268400000e-01  1.0058290000e+00  8.6347600000e-01  6.5654400000e-01  1.8393000000e+00  3.9279800000e-01  6.5205000000e-01  3.4846300000e-01  1.8910800000e-01  4.8528700000e-01
+ENERGY -1.526612909202e+02
+FORCES -2.2316000000e-03  8.7400000000e-04 -2.2482000000e-03  1.0605000000e-03 -4.0032000000e-03  2.8857000000e-03  1.8446000000e-03  3.9880000000e-03 -9.9260000000e-04 -4.0287000000e-03 -7.9959000000e-03 -3.7223000000e-03 -2.5862000000e-03  1.1581000000e-03  1.2390000000e-04  5.9414000000e-03  5.9791000000e-03  3.9536000000e-03
+
+JOB 17
+COORDS -1.0471090000e+00  6.1716000000e-01  7.2725700000e-01 -3.5950900000e-01  4.2220800000e-01  1.3639930000e+00 -1.8411750000e+00  7.1252500000e-01  1.2531830000e+00  1.0841480000e+00 -5.8526200000e-01 -7.2848700000e-01  2.6694200000e-01 -3.2586200000e-01 -1.1540660000e+00  1.4206740000e+00 -1.2991770000e+00 -1.2700650000e+00
+ENERGY -1.526586230315e+02
+FORCES  2.8487000000e-03 -1.5055000000e-03  4.6103000000e-03 -5.3183000000e-03  2.3227000000e-03 -7.5930000000e-04  3.5473000000e-03 -9.5610000000e-04 -1.8836000000e-03 -5.1311000000e-03  2.4010000000e-04 -2.6984000000e-03  6.1888000000e-03 -2.7582000000e-03 -1.3395000000e-03 -2.1354000000e-03  2.6570000000e-03  2.0705000000e-03
+
+JOB 18
+COORDS -9.1951800000e-01 -1.1802050000e+00 -3.4260600000e-01 -1.2536960000e+00 -6.9086300000e-01 -1.0943390000e+00 -4.5077200000e-01 -5.2855200000e-01  1.7879300000e-01  8.5633100000e-01  1.0817980000e+00  3.5960500000e-01  1.6474510000e+00  1.0114950000e+00  8.9385000000e-01  1.0528180000e+00  1.7754450000e+00 -2.7006100000e-01
+ENERGY -1.526599114153e+02
+FORCES  4.7808000000e-03  9.4178000000e-03  1.5760000000e-04  4.3090000000e-04 -1.9027000000e-03  1.5433000000e-03 -4.9443000000e-03 -6.9763000000e-03 -1.7970000000e-04  3.5867000000e-03  1.5108000000e-03 -1.9537000000e-03 -3.5870000000e-03  7.5090000000e-04 -2.7258000000e-03 -2.6700000000e-04 -2.8006000000e-03  3.1583000000e-03
+
+JOB 19
+COORDS  1.1821000000e-02  9.9715700000e-01 -1.1685260000e+00 -2.7269200000e-01  1.9863100000e-01 -7.2395700000e-01  6.2186000000e-02  1.6536780000e+00 -4.7377800000e-01 -3.4097000000e-02 -1.0136950000e+00  1.0525970000e+00  9.0735500000e-01 -1.0094630000e+00  1.2254620000e+00 -4.2132100000e-01 -5.9695200000e-01  1.8224120000e+00
+ENERGY -1.526595379632e+02
+FORCES -1.4063000000e-03 -5.0397000000e-03  8.8643000000e-03  2.6450000000e-04  5.6703000000e-03 -6.5933000000e-03  2.4750000000e-04 -1.1844000000e-03 -2.1686000000e-03  3.6274000000e-03  1.0352000000e-03  4.3640000000e-03 -4.9970000000e-03  4.4160000000e-04 -2.5940000000e-04  2.2640000000e-03 -9.2290000000e-04 -4.2070000000e-03
+
+JOB 20
+COORDS  6.2907000000e-02  5.2721900000e-01 -1.4446950000e+00  2.6183400000e-01  3.8990500000e-01 -5.1851700000e-01 -8.3220300000e-01  2.0431400000e-01 -1.5483400000e+00 -4.2147000000e-02 -4.5022600000e-01  1.3679750000e+00  6.4418600000e-01 -3.3995400000e-01  2.0260160000e+00 -2.1612900000e-01 -1.3914300000e+00  1.3580700000e+00
+ENERGY -1.526606857877e+02
+FORCES -3.3974000000e-03 -3.2414000000e-03  9.5103000000e-03  1.8191000000e-03  3.2479000000e-03 -8.3422000000e-03  2.5747000000e-03  4.7340000000e-04 -8.1840000000e-04  1.3676000000e-03 -4.2416000000e-03  2.8547000000e-03 -3.1189000000e-03 -9.0690000000e-04 -3.6157000000e-03  7.5490000000e-04  4.6686000000e-03  4.1130000000e-04
+
+JOB 21
+COORDS -1.2083250000e+00  4.9671600000e-01  6.9712300000e-01 -1.1794620000e+00  1.1686580000e+00  1.6026000000e-02 -1.9307900000e+00 -7.5711000000e-02  4.3904600000e-01  1.2526670000e+00 -5.5854700000e-01 -6.8492300000e-01  1.5585970000e+00  3.3742400000e-01 -8.2589900000e-01  7.8857700000e-01 -5.2485400000e-01  1.5156800000e-01
+ENERGY -1.526582904925e+02
+FORCES -3.3630000000e-03 -1.3100000000e-05 -6.4100000000e-03  5.1090000000e-04 -2.3773000000e-03  3.4925000000e-03  3.1700000000e-03  2.6949000000e-03  1.4542000000e-03 -4.7548000000e-03  4.9788000000e-03  6.0873000000e-03 -1.5500000000e-03 -2.6099000000e-03 -3.9070000000e-04  5.9869000000e-03 -2.6734000000e-03 -4.2334000000e-03
+
+JOB 22
+COORDS -8.9256900000e-01  7.8666600000e-01 -9.6186500000e-01 -6.9317500000e-01 -9.1124000000e-02 -1.2873780000e+00 -1.3585690000e+00  6.3743300000e-01 -1.3918300000e-01  8.3998800000e-01 -7.4248800000e-01  9.2500700000e-01  1.5774440000e+00 -1.2205620000e+00  1.3042620000e+00  1.2168520000e+00  8.7402000000e-02  6.3262500000e-01
+ENERGY -1.526589627740e+02
+FORCES -9.8480000000e-04 -7.6076000000e-03  4.0402000000e-03 -1.0103000000e-03  4.5508000000e-03 -8.9870000000e-04  1.0569000000e-03  2.5129000000e-03 -3.6908000000e-03  3.9431000000e-03  3.2292000000e-03 -1.2220000000e-04 -2.8764000000e-03  2.4813000000e-03 -2.2997000000e-03 -1.2850000000e-04 -5.1666000000e-03  2.9712000000e-03
+
+JOB 23
+COORDS -1.1696610000e+00  8.8869400000e-01 -4.1516300000e-01 -5.0525600000e-01  2.1641300000e-01 -2.6404600000e-01 -1.7995010000e+00  4.7521800000e-01 -1.0055620000e+00  1.1412520000e+00 -8.7177800000e-01  4.1198400000e-01  1.8599280000e+00 -2.8983200000e-01  1.6485000000e-01  8.5656000000e-01 -5.5145800000e-01  1.2678910000e+00
+ENERGY -1.526611096083e+02
+FORCES  3.8829000000e-03 -7.3203000000e-03 -1.3766000000e-03 -7.1458000000e-03  7.4758000000e-03  5.6560000000e-04  2.3940000000e-03  1.0988000000e-03  1.9917000000e-03  5.5122000000e-03  2.2038000000e-03  4.1801000000e-03 -4.4373000000e-03 -2.7157000000e-03  1.2234000000e-03 -2.0600000000e-04 -7.4240000000e-04 -6.5842000000e-03
+
+JOB 24
+COORDS -1.0068060000e+00  3.3907400000e-01  1.1391210000e+00 -1.2356230000e+00  2.8924500000e-01  2.1101000000e-01 -1.7690100000e-01 -1.3297800000e-01  1.2073680000e+00  9.6019600000e-01 -3.5054600000e-01 -1.0425360000e+00  7.6544900000e-01  5.8158200000e-01 -1.1397140000e+00  1.4121980000e+00 -5.8699300000e-01 -1.8524850000e+00
+ENERGY -1.526580177852e+02
+FORCES  4.2103000000e-03 -6.0010000000e-03 -5.2068000000e-03  7.4000000000e-06  3.5007000000e-03  2.7520000000e-03 -3.6830000000e-03  3.5332000000e-03  2.4934000000e-03  2.4974000000e-03  2.5427000000e-03 -3.9342000000e-03 -7.5610000000e-04 -5.3470000000e-03  4.6190000000e-04 -2.2760000000e-03  1.7713000000e-03  3.4337000000e-03
+
+JOB 25
+COORDS -5.0095200000e-01  1.4117490000e+00 -4.8606300000e-01  5.9814000000e-02  1.2864710000e+00 -1.2516200000e+00 -5.6470800000e-01  5.4246400000e-01 -9.0448000000e-02  4.5848200000e-01 -1.3064190000e+00  4.6549300000e-01  1.2659530000e+00 -1.8135280000e+00  5.4953700000e-01 -8.4485000000e-02 -1.5965170000e+00  1.1984740000e+00
+ENERGY -1.526586929964e+02
+FORCES  5.2632000000e-03 -8.6790000000e-03 -3.5590000000e-04 -1.8724000000e-03  1.9956000000e-03  1.5015000000e-03 -4.9808000000e-03  5.5269000000e-03 -1.6130000000e-04  3.4351000000e-03 -2.6882000000e-03  2.8075000000e-03 -3.9168000000e-03  1.3610000000e-03  1.4680000000e-04  2.0717000000e-03  2.4838000000e-03 -3.9386000000e-03
+
+JOB 26
+COORDS  1.9180000000e-03 -1.1751830000e+00  9.0205200000e-01 -3.4503500000e-01 -1.6072540000e+00  1.2155800000e-01  5.0102800000e-01 -1.8569140000e+00  1.3519010000e+00  2.0430000000e-03  1.2582720000e+00 -9.4967500000e-01 -7.0275500000e-01  1.5753850000e+00 -3.8493400000e-01  4.7164300000e-01  6.2042900000e-01 -4.1221400000e-01
+ENERGY -1.526601959588e+02
+FORCES -7.5760000000e-04 -5.9583000000e-03 -2.6080000000e-04  2.8024000000e-03  2.4903000000e-03  4.0664000000e-03 -2.4792000000e-03  2.8090000000e-03 -2.5722000000e-03 -4.3620000000e-04 -3.1853000000e-03  8.2785000000e-03  1.7445000000e-03 -2.5850000000e-04 -3.0407000000e-03 -8.7390000000e-04  4.1029000000e-03 -6.4713000000e-03
+
+JOB 27
+COORDS  6.4103500000e-01  7.9713700000e-01  1.2009030000e+00  5.1481600000e-01  1.6357600000e+00  7.5704200000e-01  3.8182700000e-01  1.4151900000e-01  5.5344100000e-01 -6.1813700000e-01 -8.0109400000e-01 -1.0641470000e+00 -1.3504420000e+00 -9.2341100000e-01 -1.6683000000e+00  1.4765100000e-01 -7.0843500000e-01 -1.6309050000e+00
+ENERGY -1.526588808003e+02
+FORCES -5.7117000000e-03 -1.6092000000e-03 -6.3755000000e-03  1.2003000000e-03 -2.2731000000e-03  1.5233000000e-03  6.7901000000e-03  3.5285000000e-03  3.6005000000e-03 -2.9202000000e-03 -9.6910000000e-04 -4.7476000000e-03  4.1037000000e-03  3.7790000000e-04  1.4520000000e-03 -3.4622000000e-03  9.4510000000e-04  4.5473000000e-03
+
+JOB 28
+COORDS -4.1195200000e-01 -2.3984600000e-01 -1.5228130000e+00  4.6878600000e-01 -6.0600100000e-01 -1.6032030000e+00 -5.4729900000e-01 -1.4503200000e-01 -5.7998500000e-01  3.9667100000e-01  2.3303800000e-01  1.4107970000e+00  7.7416900000e-01  4.6821600000e-01  2.2583920000e+00 -5.3909700000e-01  4.0971300000e-01  1.5075230000e+00
+ENERGY -1.526559465366e+02
+FORCES  6.8019000000e-03 -6.7160000000e-04  6.5105000000e-03 -3.2738000000e-03  6.7430000000e-04 -2.0204000000e-03 -5.1885000000e-03  5.9980000000e-04 -1.9162000000e-03 -7.7910000000e-04  2.5890000000e-03  5.2545000000e-03 -1.9535000000e-03 -9.1680000000e-04 -3.5893000000e-03  4.3930000000e-03 -2.2747000000e-03 -4.2392000000e-03
+
+JOB 29
+COORDS  3.3773100000e-01 -7.6653300000e-01 -1.3246370000e+00 -5.7060300000e-01 -5.9878700000e-01 -1.0735950000e+00  6.0780700000e-01 -1.5001490000e+00 -7.7228000000e-01 -3.3368500000e-01  8.0122500000e-01  1.3115740000e+00  2.3519300000e-01  6.1221000000e-02  1.0994300000e+00 -7.0554000000e-02  1.4891830000e+00  7.0025800000e-01
+ENERGY -1.526563834058e+02
+FORCES -4.7560000000e-03 -2.9085000000e-03  2.0864000000e-03  5.4089000000e-03 -7.5200000000e-04 -1.3977000000e-03 -6.9960000000e-04  5.0151000000e-03 -3.9810000000e-04  6.3290000000e-03  5.0260000000e-04 -5.6928000000e-03 -3.7044000000e-03  1.6400000000e-05  2.2188000000e-03 -2.5780000000e-03 -1.8736000000e-03  3.1834000000e-03
+
+JOB 30
+COORDS -4.9094100000e-01  1.3996290000e+00  5.2145300000e-01 -4.7559500000e-01  5.5854400000e-01  9.7815100000e-01 -1.4080250000e+00  1.5230620000e+00  2.7659900000e-01  4.7818600000e-01 -1.3565910000e+00 -5.4680100000e-01  1.0089310000e+00 -2.1346420000e+00 -3.7598300000e-01  1.0954110000e+00 -6.2735500000e-01 -4.8780200000e-01
+ENERGY -1.526581435930e+02
+FORCES -5.1391000000e-03 -5.1729000000e-03 -3.4700000000e-04  1.2869000000e-03  5.6895000000e-03 -4.7910000000e-04  3.2508000000e-03  1.8980000000e-04  1.5044000000e-03  5.1203000000e-03  1.0139000000e-03 -1.7261000000e-03 -2.3033000000e-03  3.8098000000e-03 -2.7060000000e-04 -2.2157000000e-03 -5.5301000000e-03  1.3183000000e-03
+
+JOB 31
+COORDS  1.3016460000e+00 -7.7836500000e-01  3.5021700000e-01  2.0018260000e+00 -2.0678600000e-01  3.5135000000e-02  1.7276150000e+00 -1.6236820000e+00  4.9241900000e-01 -1.3322510000e+00  8.4953500000e-01 -3.5807800000e-01 -2.0825230000e+00  3.9972200000e-01 -7.4665400000e-01 -1.0319100000e+00  2.6099000000e-01  3.3448400000e-01
+ENERGY -1.526576186601e+02
+FORCES  5.4544000000e-03  9.6500000000e-05 -2.1139000000e-03 -2.0039000000e-03 -3.3758000000e-03  1.9848000000e-03 -1.9383000000e-03  3.5679000000e-03 -8.7330000000e-04  1.2655000000e-03 -6.0542000000e-03  1.6789000000e-03  2.6004000000e-03  1.5435000000e-03  1.4099000000e-03 -5.3781000000e-03  4.2221000000e-03 -2.0863000000e-03
+
+JOB 32
+COORDS -2.4370400000e-01  1.3587580000e+00  9.3297600000e-01  5.6202000000e-01  1.3138270000e+00  1.4477790000e+00 -1.5064100000e-01  6.6459100000e-01  2.8051700000e-01  1.6530300000e-01 -1.2682000000e+00 -9.4807100000e-01  1.0869050000e+00 -1.4821190000e+00 -1.0933960000e+00 -1.5426800000e-01 -1.9625520000e+00 -3.7189300000e-01
+ENERGY -1.526600994447e+02
+FORCES  3.5050000000e-03 -5.2450000000e-03 -3.3950000000e-03 -2.6226000000e-03  4.0000000000e-05 -1.5586000000e-03 -1.0715000000e-03  7.0412000000e-03  6.4376000000e-03  2.3937000000e-03 -6.8397000000e-03 -4.5550000000e-04 -4.3437000000e-03  1.1857000000e-03  1.4440000000e-03  2.1391000000e-03  3.8179000000e-03 -2.4724000000e-03
+
+JOB 33
+COORDS  7.9124300000e-01 -9.7059600000e-01 -1.0780460000e+00 -1.2997800000e-01 -1.2136550000e+00 -1.1702660000e+00  1.0625610000e+00 -1.3678030000e+00 -2.5049200000e-01 -7.0410300000e-01  9.7590700000e-01  1.0126330000e+00 -1.4228020000e+00  1.3028870000e+00  4.7153400000e-01 -9.6266700000e-01  1.1888890000e+00  1.9093020000e+00
+ENERGY -1.526537094436e+02
+FORCES -3.8751000000e-03  4.7900000000e-05  6.5915000000e-03  3.1335000000e-03  3.1470000000e-04 -1.2599000000e-03  1.8560000000e-04 -3.9630000000e-04 -4.0686000000e-03 -3.6276000000e-03  3.6282000000e-03  1.6640000000e-04  2.5338000000e-03 -2.0584000000e-03  2.5634000000e-03  1.6498000000e-03 -1.5362000000e-03 -3.9928000000e-03
+
+JOB 34
+COORDS -1.4651140000e+00  6.7313400000e-01  5.5683800000e-01 -8.2719000000e-01  1.2821720000e+00  1.8487300000e-01 -1.1119260000e+00 -1.9440000000e-01  3.5967100000e-01  1.3529210000e+00 -6.6582900000e-01 -4.8286200000e-01  2.0448240000e+00 -1.3260000000e-02 -3.7490600000e-01  1.5580600000e+00 -1.0982110000e+00 -1.3118350000e+00
+ENERGY -1.526581891775e+02
+FORCES  7.2747000000e-03 -2.9404000000e-03 -3.3878000000e-03 -3.0167000000e-03  1.9330000000e-04  1.7839000000e-03 -5.2268000000e-03  2.8531000000e-03  1.6932000000e-03  5.4024000000e-03  2.5360000000e-04 -2.8703000000e-03 -3.4706000000e-03 -2.4789000000e-03 -9.9860000000e-04 -9.6310000000e-04  2.1194000000e-03  3.7795000000e-03
+
+JOB 35
+COORDS  1.9493500000e-01 -5.6024100000e-01 -1.5564680000e+00  1.1219560000e+00 -4.9341300000e-01 -1.7853730000e+00 -2.2475000000e-02  2.9426100000e-01 -1.1839210000e+00 -2.9405400000e-01  5.3736800000e-01  1.5630740000e+00 -2.2946500000e-01 -3.6632500000e-01  1.2542050000e+00  6.1276500000e-01  8.4008500000e-01  1.6107400000e+00
+ENERGY -1.526576911337e+02
+FORCES  1.7206000000e-03  5.1327000000e-03 -7.6160000000e-04 -3.7183000000e-03 -2.0780000000e-04  1.8464000000e-03  2.4068000000e-03 -5.1093000000e-03 -2.6127000000e-03  3.8519000000e-03 -4.6600000000e-03  5.3510000000e-04 -4.2660000000e-04  5.5055000000e-03  2.3889000000e-03 -3.8344000000e-03 -6.6110000000e-04 -1.3962000000e-03
+
+JOB 36
+COORDS -9.9027600000e-01  1.3652690000e+00 -5.3744000000e-01 -1.3000070000e+00  1.5779850000e+00  3.4292900000e-01 -6.2108400000e-01  4.8589500000e-01 -4.5600700000e-01  9.1357000000e-01 -1.3333520000e+00  4.7213200000e-01  1.4033620000e+00 -1.5379490000e+00  1.2686720000e+00  1.5783980000e+00 -1.0345470000e+00 -1.4831200000e-01
+ENERGY -1.526585730569e+02
+FORCES  7.2630000000e-04 -4.8214000000e-03  5.3160000000e-03  7.1040000000e-04  1.4590000000e-04 -3.2469000000e-03 -2.0793000000e-03  6.0341000000e-03 -3.3952000000e-03  6.3811000000e-03 -1.1922000000e-03  2.2519000000e-03 -1.6667000000e-03  6.6020000000e-04 -3.6697000000e-03 -4.0717000000e-03 -8.2660000000e-04  2.7439000000e-03
+
+JOB 37
+COORDS  1.4806090000e+00 -7.9292600000e-01  5.0227400000e-01  5.5004400000e-01 -5.7330200000e-01  5.4750800000e-01  1.4974930000e+00 -1.7421050000e+00  3.7977700000e-01 -1.4004330000e+00  8.3926200000e-01 -4.4780000000e-01 -1.7719360000e+00  4.8597000000e-02 -8.3903700000e-01 -1.6117530000e+00  1.5363650000e+00 -1.0687850000e+00
+ENERGY -1.526567033670e+02
+FORCES -4.7416000000e-03 -5.5230000000e-04 -3.5020000000e-04  5.4034000000e-03 -4.8176000000e-03  8.6870000000e-04 -5.4640000000e-04  3.6525000000e-03  9.3200000000e-05 -2.6798000000e-03  2.3574000000e-03 -5.7391000000e-03  2.6828000000e-03  2.6152000000e-03  2.6730000000e-03 -1.1850000000e-04 -3.2551000000e-03  2.4543000000e-03
+
+JOB 38
+COORDS -1.4062670000e+00 -8.2951500000e-01  4.4565000000e-01 -9.7271600000e-01 -1.3039410000e+00  1.1550050000e+00 -2.3323050000e+00 -1.0534660000e+00  5.3801600000e-01  1.4931960000e+00  8.4537100000e-01 -4.3823700000e-01  5.7085300000e-01  5.9734100000e-01 -5.0145500000e-01  1.6260850000e+00  1.4610690000e+00 -1.1589920000e+00
+ENERGY -1.526588504070e+02
+FORCES -3.1974000000e-03 -3.7632000000e-03  4.0392000000e-03 -2.5176000000e-03  2.0083000000e-03 -3.1983000000e-03  3.8922000000e-03  4.7730000000e-04  7.0100000000e-05 -4.8330000000e-03  6.4550000000e-04 -2.7681000000e-03  7.2104000000e-03  2.8155000000e-03 -7.1290000000e-04 -5.5450000000e-04 -2.1832000000e-03  2.5699000000e-03
+
+JOB 39
+COORDS  1.4217340000e+00 -9.0814800000e-01  4.3909800000e-01  1.8573280000e+00 -8.9802000000e-02  2.0077200000e-01  1.8179930000e+00 -1.1565530000e+00  1.2742660000e+00 -1.4928430000e+00  8.8322700000e-01 -5.5064800000e-01 -1.0607960000e+00  1.7732600000e-01 -6.9741000000e-02 -1.5576720000e+00  1.5993830000e+00  8.1134000000e-02
+ENERGY -1.526577745673e+02
+FORCES  5.9513000000e-03  1.3708000000e-03  1.8265000000e-03 -2.2983000000e-03 -3.6641000000e-03  1.9591000000e-03 -1.8377000000e-03  1.4499000000e-03 -3.6141000000e-03  2.0841000000e-03 -1.8246000000e-03  4.7413000000e-03 -4.4684000000e-03  5.1083000000e-03 -2.4533000000e-03  5.6910000000e-04 -2.4404000000e-03 -2.4594000000e-03
+
+JOB 40
+COORDS  1.6383620000e+00 -5.4550900000e-01 -2.0732200000e-01  1.6735560000e+00 -1.4630360000e+00  6.3117000000e-02  1.9405730000e+00 -5.5124900000e-01 -1.1155440000e+00 -1.7269670000e+00  5.8024100000e-01  2.3580200000e-01 -1.0174300000e+00  1.1406000000e-02  5.3449100000e-01 -1.3068840000e+00  1.4260230000e+00  7.9551000000e-02
+ENERGY -1.526575951005e+02
+FORCES  3.0614000000e-03 -4.0164000000e-03 -4.0855000000e-03 -9.8030000000e-04  4.2377000000e-03 -9.3400000000e-04 -8.3820000000e-04 -1.1360000000e-04  4.1204000000e-03  7.2879000000e-03  8.2640000000e-04  8.2600000000e-05 -5.7878000000e-03  1.3552000000e-03  4.0470000000e-04 -2.7431000000e-03 -2.2894000000e-03  4.1190000000e-04
+
+JOB 41
+COORDS -6.4459500000e-01 -1.6318020000e+00 -3.7290300000e-01  2.4437300000e-01 -1.9532750000e+00 -2.2249400000e-01 -6.4616700000e-01 -1.3495100000e+00 -1.2875290000e+00  6.2918200000e-01  1.6042000000e+00  4.4782100000e-01 -3.2752100000e-01  1.5930690000e+00  4.1905800000e-01  8.8188900000e-01  2.2432930000e+00 -2.1846100000e-01
+ENERGY -1.526550106064e+02
+FORCES  5.5220000000e-03  6.0560000000e-04 -2.4109000000e-03 -4.0377000000e-03 -6.9300000000e-05 -1.1390000000e-03 -7.1300000000e-04 -9.8650000000e-04  3.3946000000e-03 -4.1046000000e-03  1.6720000000e-03 -1.9134000000e-03  4.3161000000e-03  1.8867000000e-03 -1.9750000000e-04 -9.8290000000e-04 -3.1085000000e-03  2.2663000000e-03
+
+JOB 42
+COORDS -1.4562820000e+00  7.4865200000e-01 -6.2317200000e-01 -2.0962770000e+00  3.6729500000e-01 -1.2241750000e+00 -1.9515140000e+00  9.1963600000e-01  1.7791600000e-01  1.5254330000e+00 -7.8306100000e-01  6.6479700000e-01  2.1958450000e+00 -1.6714600000e-01  3.6911600000e-01  7.7090700000e-01 -6.0414000000e-01  1.0362700000e-01
+ENERGY -1.526588210315e+02
+FORCES -6.7292000000e-03  6.4120000000e-04  7.7740000000e-04  2.8605000000e-03  1.5881000000e-03  2.7973000000e-03  1.9570000000e-03 -8.8310000000e-04 -3.9430000000e-03 -2.0229000000e-03  4.2682000000e-03 -4.3253000000e-03 -1.9620000000e-03 -2.4428000000e-03  1.3074000000e-03  5.8966000000e-03 -3.1717000000e-03  3.3862000000e-03
+
+JOB 43
+COORDS  6.0790400000e-01 -7.1001800000e-01  1.5329140000e+00  1.3283480000e+00 -1.3306190000e+00  1.4231490000e+00  1.0076600000e+00  1.4865200000e-01  1.3946660000e+00 -7.3223200000e-01  7.2698200000e-01 -1.5336210000e+00 -1.3367600000e-01  9.6723200000e-01 -8.2634300000e-01 -2.8362000000e-01  2.0374000000e-02 -1.9980390000e+00
+ENERGY -1.526530384878e+02
+FORCES  4.7513000000e-03  4.0000000000e-07  8.7490000000e-04 -3.3253000000e-03  2.8745000000e-03  6.3200000000e-05 -2.5896000000e-03 -3.2430000000e-03 -1.6480000000e-03  3.7819000000e-03 -3.9543000000e-03  2.6275000000e-03 -1.0462000000e-03  1.0184000000e-03 -2.8852000000e-03 -1.5721000000e-03  3.3041000000e-03  9.6750000000e-04
+
+JOB 44
+COORDS  1.7859900000e+00 -5.2170000000e-02  3.5902000000e-01  1.0008700000e+00 -2.1251700000e-01 -1.6453200000e-01  2.4055620000e+00 -7.2401500000e-01  7.4435000000e-02 -1.7381250000e+00  1.2854800000e-01 -3.6343000000e-01 -2.1551430000e+00  5.6449500000e-01  3.7972500000e-01 -1.9081990000e+00 -8.0269700000e-01 -2.2169100000e-01
+ENERGY -1.526574310418e+02
+FORCES -2.1543000000e-03 -2.0244000000e-03 -3.8797000000e-03  6.6198000000e-03 -1.3401000000e-03  2.6313000000e-03 -2.7263000000e-03  2.3191000000e-03  1.1011000000e-03 -4.9240000000e-03 -6.3990000000e-04  4.5586000000e-03  1.1627000000e-03 -2.2738000000e-03 -3.5222000000e-03  2.0222000000e-03  3.9591000000e-03 -8.8920000000e-04
+
+JOB 45
+COORDS  1.0286010000e+00  2.5617500000e-01 -1.4124000000e+00  1.1322370000e+00  7.5177600000e-01 -2.2247240000e+00  1.9153420000e+00 -2.6790000000e-02 -1.1891200000e+00 -1.1333390000e+00 -2.8942300000e-01  1.4713520000e+00 -6.7310400000e-01 -6.4236400000e-01  7.0987400000e-01 -6.0536100000e-01  4.6086200000e-01  1.7443780000e+00
+ENERGY -1.526574446121e+02
+FORCES  4.2034000000e-03  1.7421000000e-03 -4.4868000000e-03  2.6580000000e-04 -2.1668000000e-03  3.4683000000e-03 -4.1997000000e-03  1.1915000000e-03 -4.2910000000e-04  4.5812000000e-03  2.4737000000e-03 -4.3515000000e-03 -2.7015000000e-03 -4.2460000000e-04  5.4676000000e-03 -2.1492000000e-03 -2.8159000000e-03  3.3150000000e-04
+
+JOB 46
+COORDS  1.7041210000e+00  5.4081700000e-01  4.8188700000e-01  9.7384000000e-01  5.3331400000e-01  1.1006480000e+00  2.1647080000e+00 -2.8242500000e-01  6.4425200000e-01 -1.7026750000e+00 -4.4098400000e-01 -4.9981200000e-01 -2.1191160000e+00 -1.2793500000e+00 -2.9993600000e-01 -1.0368910000e+00 -6.5362000000e-01 -1.1538370000e+00
+ENERGY -1.526561137533e+02
+FORCES -2.2038000000e-03 -2.6589000000e-03  4.0213000000e-03  4.8643000000e-03  7.3700000000e-05 -1.8957000000e-03 -1.9795000000e-03  3.0131000000e-03 -1.1295000000e-03  1.0888000000e-03 -3.7622000000e-03 -3.3774000000e-03  2.1342000000e-03  3.4274000000e-03 -4.5510000000e-04 -3.9040000000e-03 -9.3100000000e-05  2.8364000000e-03
+
+JOB 47
+COORDS  1.4789250000e+00  8.9529200000e-01 -5.3365700000e-01  2.3027460000e+00  1.2017130000e+00 -9.1267800000e-01  1.7355080000e+00  1.8862400000e-01  5.8810000000e-02 -1.5197910000e+00 -9.2707800000e-01  5.0751800000e-01 -1.1327420000e+00 -7.3864000000e-02  3.1143000000e-01 -2.3479840000e+00 -7.2100300000e-01  9.4094700000e-01
+ENERGY -1.526571994085e+02
+FORCES  5.7686000000e-03 -1.6513000000e-03 -1.4320000000e-04 -3.0232000000e-03 -1.4503000000e-03  1.7949000000e-03 -1.4604000000e-03  3.8751000000e-03 -2.4587000000e-03 -1.8220000000e-03  5.0531000000e-03 -7.7700000000e-05 -2.6526000000e-03 -5.0224000000e-03  2.5925000000e-03  3.1895000000e-03 -8.0420000000e-04 -1.7076000000e-03
+
+JOB 48
+COORDS  1.3668050000e+00 -6.9293200000e-01  1.0376960000e+00  1.4485450000e+00 -1.6293230000e+00  1.2185840000e+00  6.6945100000e-01 -3.9559400000e-01  1.6220920000e+00 -1.3675760000e+00  6.9824300000e-01 -1.1372270000e+00 -1.7737420000e+00  9.5120800000e-01 -3.0821000000e-01 -4.3146500000e-01  8.4349700000e-01 -1.0000080000e+00
+ENERGY -1.526553943337e+02
+FORCES -2.1430000000e-03 -4.4424000000e-03  3.4033000000e-03 -1.3240000000e-04  4.0615000000e-03 -2.3520000000e-04  2.5784000000e-03 -2.5590000000e-04 -3.0166000000e-03  3.6204000000e-03  1.0415000000e-03  3.5616000000e-03  1.5492000000e-03 -1.2492000000e-03 -2.7204000000e-03 -5.4727000000e-03  8.4450000000e-04 -9.9270000000e-04
+
+JOB 49
+COORDS  1.6025670000e+00 -1.0713300000e+00  2.0910500000e-01  1.5261610000e+00 -8.6419300000e-01 -7.2228500000e-01  7.0476400000e-01 -1.0303640000e+00  5.3850400000e-01 -1.5406210000e+00  1.0528410000e+00 -2.3434400000e-01 -2.3575370000e+00  1.2629010000e+00  2.1815400000e-01 -9.0212300000e-01  9.2938500000e-01  4.6801700000e-01
+ENERGY -1.526549319875e+02
+FORCES -4.0339000000e-03 -2.5820000000e-04 -4.0472000000e-03  1.0465000000e-03 -9.3230000000e-04  4.3825000000e-03  3.7835000000e-03  1.7074000000e-03  1.3720000000e-04 -1.7388000000e-03  2.2798000000e-03  4.8384000000e-03  3.6659000000e-03 -9.6710000000e-04 -1.8792000000e-03 -2.7231000000e-03 -1.8295000000e-03 -3.4317000000e-03
+
+JOB 50
+COORDS  9.1592900000e-01  1.2841730000e+00  1.1967690000e+00  3.8220700000e-01  6.6419400000e-01  1.6937590000e+00  8.4028900000e-01  9.9171000000e-01  2.8848700000e-01 -8.9197100000e-01 -1.2514980000e+00 -1.1166500000e+00 -8.3435000000e-02 -1.3726830000e+00 -1.6144600000e+00 -1.4547870000e+00 -7.3640600000e-01 -1.6947060000e+00
+ENERGY -1.526563276692e+02
+FORCES -3.7993000000e-03 -5.0456000000e-03 -1.9695000000e-03  2.6902000000e-03  3.2143000000e-03 -8.1370000000e-04  1.9302000000e-03  2.5025000000e-03  3.0014000000e-03 -5.3710000000e-04 -2.9810000000e-04 -5.7704000000e-03 -3.2277000000e-03  1.6329000000e-03  2.8526000000e-03  2.9437000000e-03 -2.0060000000e-03  2.6994000000e-03
+
+JOB 51
+COORDS  1.3142440000e+00  7.2871800000e-01  1.3040310000e+00  8.1233400000e-01 -7.3789000000e-02  1.4465110000e+00  7.9913100000e-01  1.4130070000e+00  1.7313950000e+00 -1.2469850000e+00 -7.9386500000e-01 -1.3293480000e+00 -2.0285810000e+00 -2.7203300000e-01 -1.1476060000e+00 -5.9940300000e-01 -1.5810500000e-01 -1.6337800000e+00
+ENERGY -1.526559662216e+02
+FORCES -4.1312000000e-03 -1.4492000000e-03  2.8857000000e-03  2.6789000000e-03  4.1491000000e-03  6.5800000000e-05  1.9369000000e-03 -2.5710000000e-03 -2.0560000000e-03 -8.9700000000e-05  5.0815000000e-03 -1.5667000000e-03  3.1876000000e-03 -2.1702000000e-03 -2.8040000000e-04 -3.5825000000e-03 -3.0403000000e-03  9.5160000000e-04
+
+JOB 52
+COORDS -2.8355500000e-01  1.7368310000e+00  9.7746200000e-01  4.3715600000e-01  1.3387450000e+00  1.4656580000e+00  1.2660600000e-01  2.4414860000e+00  4.7600300000e-01  2.7607300000e-01 -1.7760690000e+00 -9.6410600000e-01  6.0487000000e-02 -1.1253650000e+00 -1.6321920000e+00 -5.6290300000e-01 -1.9857490000e+00 -5.5375800000e-01
+ENERGY -1.526554017883e+02
+FORCES  5.2853000000e-03  8.1570000000e-04  3.1890000000e-04 -3.2126000000e-03  2.3461000000e-03 -1.5941000000e-03 -1.8189000000e-03 -2.8818000000e-03  1.7558000000e-03 -5.1267000000e-03  2.8126000000e-03 -6.1870000000e-04  1.3353000000e-03 -3.0952000000e-03  1.9417000000e-03  3.5375000000e-03  2.5000000000e-06 -1.8037000000e-03
+
+JOB 53
+COORDS  1.5509770000e+00  8.5164200000e-01 -1.1474650000e+00  2.1690910000e+00  1.4188600000e-01 -9.7306900000e-01  7.8469700000e-01  6.3884500000e-01 -6.1477100000e-01 -1.4781590000e+00 -7.9885000000e-01  1.1019880000e+00 -1.9954270000e+00 -6.7777000000e-01  1.8982330000e+00 -2.1263860000e+00 -9.6581800000e-01  4.1776900000e-01
+ENERGY -1.526570053719e+02
+FORCES -1.2683000000e-03 -4.1123000000e-03  3.9853000000e-03 -1.9485000000e-03  2.8301000000e-03 -1.0683000000e-03  4.0954000000e-03  1.7909000000e-03 -3.9161000000e-03 -5.8586000000e-03 -7.2710000000e-04  1.6437000000e-03  1.9029000000e-03 -7.4880000000e-04 -3.4872000000e-03  3.0771000000e-03  9.6720000000e-04  2.8426000000e-03
+
+JOB 54
+COORDS -1.2860780000e+00  8.4937400000e-01 -1.4849010000e+00 -3.5670600000e-01  6.4203600000e-01 -1.5824170000e+00 -1.5620510000e+00  3.5676400000e-01 -7.1198000000e-01  1.1865490000e+00 -8.0875600000e-01  1.4380450000e+00  1.7243890000e+00 -1.5216850000e+00  1.7825630000e+00  1.8127390000e+00 -1.1643900000e-01  1.2263480000e+00
+ENERGY -1.526559210918e+02
+FORCES  2.8511000000e-03 -3.8142000000e-03  3.6632000000e-03 -3.3428000000e-03  1.6781000000e-03 -3.7590000000e-04  1.4270000000e-04  2.5792000000e-03 -3.8164000000e-03  5.3907000000e-03 -5.5290000000e-04  1.8097000000e-03 -2.1275000000e-03  3.1441000000e-03 -1.4704000000e-03 -2.9142000000e-03 -3.0342000000e-03  1.8980000000e-04
+
+JOB 55
+COORDS  8.8331800000e-01  1.8241910000e+00  3.6071500000e-01  3.1174900000e-01  2.3035740000e+00  9.6049300000e-01  1.6311130000e+00  1.5637570000e+00  8.9849600000e-01 -9.4815100000e-01 -1.8722590000e+00 -4.1978000000e-01 -3.0446500000e-01 -1.9151910000e+00  2.8736700000e-01 -6.0605000000e-01 -1.2057440000e+00 -1.0155630000e+00
+ENERGY -1.526556975528e+02
+FORCES  6.2550000000e-04  2.2691000000e-03  5.0104000000e-03  2.7021000000e-03 -2.0362000000e-03 -2.4556000000e-03 -3.3281000000e-03  4.7980000000e-04 -2.3435000000e-03  4.3957000000e-03  3.9472000000e-03  3.5330000000e-04 -2.5416000000e-03 -6.6500000000e-04 -2.3465000000e-03 -1.8536000000e-03 -3.9948000000e-03  1.7819000000e-03
+
+JOB 56
+COORDS  1.9307380000e+00  2.8834100000e-01  8.9858400000e-01  2.2704840000e+00 -4.1478700000e-01  3.4503600000e-01  1.1581910000e+00  6.0844000000e-01  4.3281700000e-01 -1.9157270000e+00 -3.2213900000e-01 -8.0756000000e-01 -1.0918350000e+00  1.2488500000e-01 -1.0014750000e+00 -2.5863230000e+00  2.1931900000e-01 -1.2239210000e+00
+ENERGY -1.526526230591e+02
+FORCES -1.7791000000e-03 -2.2337000000e-03 -3.2726000000e-03 -1.4955000000e-03  3.3804000000e-03  2.0760000000e-03  2.8543000000e-03 -1.0891000000e-03  4.7530000000e-04 -6.3310000000e-04  4.0938000000e-03 -2.9981000000e-03 -1.9305000000e-03 -1.6950000000e-03  1.9035000000e-03  2.9839000000e-03 -2.4563000000e-03  1.8159000000e-03
+
+JOB 57
+COORDS  1.3904730000e+00  1.1849700000e+00 -1.0353200000e+00  1.9912490000e+00  1.5652310000e+00 -1.6761810000e+00  1.9372120000e+00  1.0066620000e+00 -2.7013100000e-01 -1.4261280000e+00 -1.2302740000e+00  1.0745130000e+00 -2.3249190000e+00 -9.0114600000e-01  1.0835150000e+00 -1.0914840000e+00 -9.9073500000e-01  2.1029900000e-01
+ENERGY -1.526560942182e+02
+FORCES  5.2821000000e-03  1.3631000000e-03  5.9120000000e-04 -2.3751000000e-03 -1.5098000000e-03  2.7262000000e-03 -2.2244000000e-03  7.1860000000e-04 -3.6130000000e-03 -2.0035000000e-03  2.9228000000e-03 -4.1163000000e-03  3.3461000000e-03 -1.4844000000e-03  1.1860000000e-04 -2.0252000000e-03 -2.0103000000e-03  4.2933000000e-03
+
+JOB 58
+COORDS  1.6871720000e+00 -1.3463250000e+00  3.7241300000e-01  2.3683010000e+00 -7.5618100000e-01  6.9494000000e-01  9.3788600000e-01 -7.7630400000e-01  1.9955800000e-01 -1.7134830000e+00  1.2355280000e+00 -4.2510000000e-01 -1.9073050000e+00  1.4138720000e+00  4.9514900000e-01 -1.0066280000e+00  1.8428740000e+00 -6.4354900000e-01
+ENERGY -1.526550001748e+02
+FORCES -1.0580000000e-03  4.3129000000e-03  1.4050000000e-04 -2.8563000000e-03 -2.1114000000e-03 -1.2789000000e-03  4.7259000000e-03 -2.2623000000e-03  1.4216000000e-03 -2.1200000000e-05  4.6010000000e-03  2.3353000000e-03  1.5214000000e-03 -1.0421000000e-03 -4.0396000000e-03 -2.3119000000e-03 -3.4980000000e-03  1.4211000000e-03
+
+JOB 59
+COORDS  1.8828930000e+00 -3.9091500000e-01 -1.0642280000e+00  1.3466640000e+00 -7.9142300000e-01 -1.7485410000e+00  1.9836780000e+00 -1.0779600000e+00 -4.0540800000e-01 -1.8619980000e+00  4.5949700000e-01  1.1366580000e+00 -2.5168170000e+00 -6.2146000000e-02  6.7261900000e-01 -1.2018600000e+00  6.6113100000e-01  4.7348900000e-01
+ENERGY -1.526551844008e+02
+FORCES -1.3960000000e-04 -5.1783000000e-03 -2.6430000000e-04  1.5422000000e-03  2.1030000000e-03  3.2086000000e-03 -6.9280000000e-04  3.0426000000e-03 -3.0760000000e-03  5.0240000000e-04 -5.6530000000e-04 -4.6507000000e-03  2.7534000000e-03  1.8500000000e-03  1.7911000000e-03 -3.9656000000e-03 -1.2520000000e-03  2.9913000000e-03
+
+JOB 60
+COORDS -9.6292400000e-01 -2.0383360000e+00  3.3880800000e-01 -9.7025900000e-01 -1.2937630000e+00  9.4029700000e-01 -1.0266500000e+00 -1.6445700000e+00 -5.3131800000e-01  9.3991300000e-01  1.9358590000e+00 -2.5971600000e-01  1.2182700000e+00  1.5219540000e+00 -1.0766810000e+00  1.0925540000e+00  2.8703440000e+00 -3.9997100000e-01
+ENERGY -1.526552726771e+02
+FORCES -9.6200000000e-05  5.5256000000e-03 -6.5120000000e-04 -4.7210000000e-04 -3.9109000000e-03 -2.2677000000e-03  3.5230000000e-04 -2.0443000000e-03  2.9315000000e-03  2.5926000000e-03  2.8420000000e-03 -3.8152000000e-03 -1.7615000000e-03  1.5292000000e-03  3.3345000000e-03 -6.1510000000e-04 -3.9417000000e-03  4.6810000000e-04
+
+JOB 61
+COORDS -3.8015400000e-01 -2.0130680000e+00  9.6602600000e-01 -8.9791900000e-01 -2.5454590000e+00  3.6211400000e-01 -1.2719200000e-01 -1.2456040000e+00  4.5295500000e-01  3.8987500000e-01  1.9921730000e+00 -8.3203800000e-01  9.6190600000e-01  1.5098190000e+00 -1.4289860000e+00 -7.5809000000e-02  2.6115510000e+00 -1.3939460000e+00
+ENERGY -1.526550285240e+02
+FORCES -1.3468000000e-03  2.0287000000e-03 -4.2152000000e-03  2.1527000000e-03  1.9780000000e-03  2.2949000000e-03 -5.8230000000e-04 -4.7252000000e-03  1.7554000000e-03  6.3180000000e-04  2.2974000000e-03 -4.9486000000e-03 -2.9634000000e-03  1.1337000000e-03  2.8756000000e-03  2.1079000000e-03 -2.7127000000e-03  2.2379000000e-03
+
+JOB 62
+COORDS  1.7640980000e+00 -1.3775360000e+00 -5.5179100000e-01  1.0232560000e+00 -8.2787900000e-01 -8.0725600000e-01  2.0616700000e+00 -1.0080030000e+00  2.7955000000e-01 -1.7149580000e+00  1.3529720000e+00  4.6115700000e-01 -1.7147010000e+00  1.6709950000e+00  1.3639820000e+00 -2.1455560000e+00  4.9935200000e-01  5.0752800000e-01
+ENERGY -1.526554922803e+02
+FORCES -1.8934000000e-03  4.6965000000e-03  2.0988000000e-03  3.2188000000e-03 -3.3987000000e-03  8.7690000000e-04 -9.7020000000e-04 -1.9052000000e-03 -3.0634000000e-03 -3.0854000000e-03 -1.3829000000e-03  4.2962000000e-03  1.9140000000e-04 -1.4987000000e-03 -3.8177000000e-03  2.5388000000e-03  3.4890000000e-03 -3.9090000000e-04
+
+JOB 63
+COORDS -1.7186000000e-02 -1.4582300000e-01 -2.2554270000e+00  7.2722700000e-01  6.9442000000e-02 -2.8173360000e+00  3.6771200000e-01 -2.8555000000e-01 -1.3902330000e+00 -3.7664000000e-02  1.9520700000e-01  2.2443610000e+00 -8.7940500000e-01 -2.5909900000e-01  2.2805550000e+00  6.0910500000e-01 -5.0466200000e-01  2.1543410000e+00
+ENERGY -1.526545390471e+02
+FORCES  4.5360000000e-03  1.1952000000e-03  1.6352000000e-03 -2.9717000000e-03 -1.0407000000e-03  2.2234000000e-03 -1.3253000000e-03 -5.6410000000e-04 -4.1227000000e-03 -1.5590000000e-03 -4.5128000000e-03  1.1761000000e-03  3.8925000000e-03  1.8060000000e-03 -2.3290000000e-04 -2.5725000000e-03  3.1164000000e-03 -6.7910000000e-04
+
+JOB 64
+COORDS  1.3794780000e+00  1.1960200000e-01 -1.8588710000e+00  6.4468500000e-01 -4.2778200000e-01 -1.5819550000e+00  1.1981770000e+00  9.7719100000e-01 -1.4742910000e+00 -1.3638790000e+00 -9.9089000000e-02  1.8689440000e+00 -7.4312700000e-01 -8.0108000000e-01  2.0641560000e+00 -1.3790950000e+00 -5.1122000000e-02  9.1306800000e-01
+ENERGY -1.526531602790e+02
+FORCES -3.1619000000e-03  1.7259000000e-03  2.0968000000e-03  2.5898000000e-03  2.3392000000e-03 -3.2700000000e-04  4.1380000000e-04 -4.0968000000e-03 -1.5967000000e-03  2.1550000000e-03 -3.0280000000e-03 -2.2635000000e-03 -2.7601000000e-03  3.1237000000e-03 -1.2181000000e-03  7.6330000000e-04 -6.3900000000e-05  3.3086000000e-03
+
+JOB 65
+COORDS -7.0325800000e-01  1.0374450000e+00 -1.8465010000e+00 -8.8750100000e-01  1.5365670000e+00 -2.6422170000e+00 -1.2090300000e+00  1.4785880000e+00 -1.1639910000e+00  7.2662300000e-01 -1.0245450000e+00  1.8384710000e+00  1.4458250000e+00 -1.5819620000e+00  1.5413740000e+00  2.0804300000e-01 -1.5877560000e+00  2.4130150000e+00
+ENERGY -1.526539494630e+02
+FORCES -2.6684000000e-03  3.7760000000e-03  4.9910000000e-04  8.3130000000e-04 -2.1410000000e-03  3.1666000000e-03  1.5943000000e-03 -1.4245000000e-03 -3.4629000000e-03  1.0508000000e-03 -4.7768000000e-03  2.5610000000e-04 -2.7977000000e-03  2.1096000000e-03  1.7608000000e-03  1.9897000000e-03  2.4567000000e-03 -2.2197000000e-03
+
+JOB 66
+COORDS -1.1032840000e+00 -4.1816000000e-01 -1.8659240000e+00 -1.7187940000e+00 -1.0049350000e+00 -2.3053270000e+00 -6.0591700000e-01 -1.5382000000e-02 -2.5777020000e+00  1.1022890000e+00  4.0418500000e-01  1.8848980000e+00  1.3678080000e+00 -5.0200000000e-04  2.7107060000e+00  1.0534460000e+00  1.3398200000e+00  2.0809390000e+00
+ENERGY -1.526529039861e+02
+FORCES  6.5200000000e-05 -8.3500000000e-04 -4.3739000000e-03  2.4493000000e-03  2.3962000000e-03  1.8716000000e-03 -2.2617000000e-03 -1.5283000000e-03  2.7337000000e-03  2.9980000000e-04  2.1287000000e-03  3.9086000000e-03 -1.0249000000e-03  1.5991000000e-03 -3.3988000000e-03  4.7240000000e-04 -3.7607000000e-03 -7.4110000000e-04
+
+JOB 67
+COORDS -8.6824500000e-01  1.6179060000e+00  1.3526220000e+00 -1.6711140000e+00  1.2587170000e+00  9.7497500000e-01 -6.2908200000e-01  2.3372890000e+00  7.6822400000e-01  9.4716500000e-01 -1.6488960000e+00 -1.3412230000e+00  6.5367100000e-01 -7.8099100000e-01 -1.0640320000e+00  3.2952100000e-01 -2.2537130000e+00 -9.3019500000e-01
+ENERGY -1.526546718524e+02
+FORCES -2.9697000000e-03  2.8868000000e-03 -2.7563000000e-03  3.9923000000e-03  8.9080000000e-04  1.1323000000e-03 -8.8780000000e-04 -3.6301000000e-03  2.1611000000e-03 -3.3114000000e-03  1.2240000000e-03  3.7961000000e-03  9.1900000000e-04 -3.6882000000e-03 -2.3165000000e-03  2.2575000000e-03  2.3166000000e-03 -2.0166000000e-03
+
+JOB 68
+COORDS -7.5365000000e-01  1.7269440000e+00 -1.3304610000e+00 -1.3434500000e+00  2.0782350000e+00 -1.9975160000e+00 -1.3276540000e+00  1.2550700000e+00 -7.2706500000e-01  8.6835700000e-01 -1.7032940000e+00  1.3707400000e+00  6.3786300000e-01 -2.5701860000e+00  1.0366710000e+00  1.4009000000e-01 -1.1420700000e+00  1.1044940000e+00
+ENERGY -1.526532331159e+02
+FORCES -4.8940000000e-03  2.9530000000e-04 -7.4750000000e-04  2.5018000000e-03 -1.5221000000e-03  2.8387000000e-03  2.8248000000e-03  1.0171000000e-03 -2.0341000000e-03 -3.3955000000e-03 -1.0128000000e-03 -2.9865000000e-03  8.1610000000e-04  3.5431000000e-03  1.5178000000e-03  2.1469000000e-03 -2.3206000000e-03  1.4116000000e-03
+
+JOB 69
+COORDS  1.0519860000e+00  1.0913500000e+00 -1.9265260000e+00  1.8795870000e+00  6.1520600000e-01 -1.8587340000e+00  5.1432500000e-01  5.5616600000e-01 -2.5102470000e+00 -1.1149030000e+00 -1.0239990000e+00  1.9025640000e+00 -1.2974590000e+00 -1.4547690000e+00  2.7376340000e+00 -1.7104900000e-01 -8.6525700000e-01  1.9157030000e+00
+ENERGY -1.526541366335e+02
+FORCES  5.9840000000e-04 -4.1378000000e-03 -2.4028000000e-03 -3.3124000000e-03  1.9085000000e-03  8.3200000000e-05  2.5613000000e-03  2.2770000000e-03  2.1826000000e-03  3.2242000000e-03 -4.8850000000e-04  3.3641000000e-03  7.4030000000e-04  1.7006000000e-03 -3.4453000000e-03 -3.8117000000e-03 -1.2599000000e-03  2.1830000000e-04
+
+JOB 70
+COORDS  1.0385040000e+00  5.5147100000e-01  2.1960210000e+00  1.7379040000e+00  1.2047020000e+00  2.2150060000e+00  3.7451700000e-01  9.2752200000e-01  1.6181470000e+00 -1.0229170000e+00 -5.6438500000e-01 -2.2098390000e+00 -4.5511200000e-01 -1.1496620000e+00 -1.7085610000e+00 -1.9078430000e+00 -7.7553000000e-01 -1.9122570000e+00
+ENERGY -1.526550285107e+02
+FORCES  2.7780000000e-04  4.6825000000e-03 -2.2718000000e-03 -2.8302000000e-03 -2.7025000000e-03  2.4100000000e-05  2.6914000000e-03 -1.9584000000e-03  2.6386000000e-03 -1.2532000000e-03 -3.9530000000e-03  2.8086000000e-03 -2.5461000000e-03  2.7946000000e-03 -2.1242000000e-03  3.6604000000e-03  1.1368000000e-03 -1.0752000000e-03
+
+JOB 71
+COORDS -2.2556720000e+00 -1.1462240000e+00  2.8479400000e-01 -1.5174350000e+00 -7.5106700000e-01  7.4857000000e-01 -2.2111420000e+00 -7.7605000000e-01 -5.9680800000e-01  2.1597270000e+00  1.0960850000e+00 -2.2422200000e-01  2.7661800000e+00  4.1301600000e-01 -5.1034000000e-01  2.5525410000e+00  1.9115550000e+00 -5.3557200000e-01
+ENERGY -1.526554617866e+02
+FORCES  3.7926000000e-03  3.6189000000e-03 -1.6425000000e-03 -3.6000000000e-03 -2.1214000000e-03 -1.6071000000e-03 -6.2320000000e-04 -1.7434000000e-03  3.2957000000e-03  4.6986000000e-03  8.3680000000e-04 -2.3925000000e-03 -2.6605000000e-03  2.8486000000e-03  1.1419000000e-03 -1.6075000000e-03 -3.4394000000e-03  1.2045000000e-03
+
+JOB 72
+COORDS  2.4317870000e+00  4.1607000000e-01  4.4607900000e-01  3.0549850000e+00 -1.4477700000e-01  9.0793200000e-01  1.6811970000e+00  4.7810900000e-01  1.0368400000e+00 -2.4646060000e+00 -4.3460300000e-01 -4.6995100000e-01 -1.6230700000e+00 -5.6761500000e-01 -9.0625000000e-01 -2.6676330000e+00  4.8923700000e-01 -6.1668700000e-01
+ENERGY -1.526549865301e+02
+FORCES -5.2900000000e-05 -2.0471000000e-03  4.7823000000e-03 -2.5583000000e-03  2.3342000000e-03 -1.9193000000e-03  3.0097000000e-03 -2.0550000000e-04 -2.9181000000e-03  2.4641000000e-03  3.1251000000e-03 -3.0709000000e-03 -3.7065000000e-03  5.4900000000e-04  2.2644000000e-03  8.4380000000e-04 -3.7557000000e-03  8.6160000000e-04
+
+JOB 73
+COORDS  1.0648960000e+00  7.3481800000e-01  2.1581920000e+00  8.5554300000e-01  1.4393250000e+00  2.7714410000e+00  7.6608500000e-01  1.0593890000e+00  1.3087240000e+00 -1.0917380000e+00 -7.7935100000e-01 -2.1054940000e+00 -6.4655000000e-01 -1.0853000000e-01 -2.6232170000e+00 -6.0375700000e-01 -1.5832790000e+00 -2.2838370000e+00
+ENERGY -1.526544485826e+02
+FORCES -2.7186000000e-03  3.8827000000e-03 -1.1671000000e-03  9.6140000000e-04 -2.7807000000e-03 -2.4436000000e-03  1.9095000000e-03 -8.3940000000e-04  3.6387000000e-03  3.6429000000e-03 -1.2996000000e-03 -3.1214000000e-03 -1.7414000000e-03 -2.4460000000e-03  2.5484000000e-03 -2.0538000000e-03  3.4828000000e-03  5.4510000000e-04
+
+JOB 74
+COORDS  1.4573920000e+00 -9.1721000000e-02  2.0606870000e+00  1.6354140000e+00  5.5595100000e-01  1.3787320000e+00  2.0415080000e+00 -8.2201100000e-01  1.8564400000e+00 -1.5671710000e+00  1.2869700000e-01 -2.0058870000e+00 -1.3302950000e+00 -7.9494300000e-01 -1.9221560000e+00 -7.4952000000e-01  5.6547400000e-01 -2.2444320000e+00
+ENERGY -1.526535574290e+02
+FORCES  2.9964000000e-03 -5.1400000000e-05 -3.2412000000e-03 -5.5240000000e-04 -2.8569000000e-03  2.5309000000e-03 -2.5272000000e-03  2.9654000000e-03  5.9870000000e-04  3.9690000000e-03 -2.1976000000e-03 -3.5960000000e-04 -8.0940000000e-04  3.8512000000e-03 -6.4190000000e-04 -3.0765000000e-03 -1.7107000000e-03  1.1131000000e-03
+
+JOB 75
+COORDS  1.4973230000e+00 -1.8851880000e+00  8.4805800000e-01  1.1127890000e+00 -1.0110630000e+00  7.8269400000e-01  2.3644990000e+00 -1.7382630000e+00  1.2257480000e+00 -1.5367970000e+00  1.8293090000e+00 -7.9926300000e-01 -1.7961070000e+00  1.1294320000e+00 -1.3985640000e+00 -1.0913160000e+00  2.4685700000e+00 -1.3552530000e+00
+ENERGY -1.526551048591e+02
+FORCES  1.6214000000e-03  4.4702000000e-03  1.5529000000e-03  2.0879000000e-03 -4.1422000000e-03  1.0380000000e-04 -3.3813000000e-03 -6.4010000000e-04 -1.5773000000e-03 -3.6900000000e-05  9.2100000000e-05 -5.1608000000e-03  1.3606000000e-03  2.9603000000e-03  2.6496000000e-03 -1.6516000000e-03 -2.7403000000e-03  2.4317000000e-03
+
+JOB 76
+COORDS -5.4840000000e-01  6.6108700000e-01 -2.3750500000e+00 -1.2170280000e+00  3.1146000000e-02 -2.1060850000e+00 -1.0354720000e+00  1.3491490000e+00 -2.8284420000e+00  6.2231400000e-01 -6.0280900000e-01  2.3844570000e+00  8.8065400000e-01 -1.2001530000e+00  1.6825510000e+00  2.9708700000e-01 -1.1752970000e+00  3.0792350000e+00
+ENERGY -1.526539916387e+02
+FORCES -4.8435000000e-03  7.4100000000e-04 -3.7810000000e-04  2.8639000000e-03  2.2234000000e-03 -1.2712000000e-03  1.9525000000e-03 -2.8920000000e-03  1.6764000000e-03  1.6260000000e-04 -4.5588000000e-03 -3.5670000000e-04 -1.3209000000e-03  2.1205000000e-03  3.2059000000e-03  1.1854000000e-03  2.3659000000e-03 -2.8763000000e-03
+
+JOB 77
+COORDS  6.5734300000e-01  2.0885330000e+00 -1.3243870000e+00  1.1925260000e+00  2.8283790000e+00 -1.6115060000e+00 -1.9188000000e-01  2.2299780000e+00 -1.7427730000e+00 -6.4947400000e-01 -2.1943490000e+00  1.3731140000e+00 -2.0333700000e-01 -1.6040780000e+00  1.9803810000e+00 -8.2955600000e-01 -1.6551370000e+00  6.0301500000e-01
+ENERGY -1.526549608463e+02
+FORCES -8.4560000000e-04  4.0457000000e-03 -3.2182000000e-03 -2.3142000000e-03 -2.9901000000e-03  1.1568000000e-03  3.3929000000e-03 -8.6830000000e-04  1.9382000000e-03  1.6326000000e-03  5.0544000000e-03 -9.7310000000e-04 -1.9785000000e-03 -2.6609000000e-03 -2.0552000000e-03  1.1270000000e-04 -2.5807000000e-03  3.1514000000e-03
+
+JOB 78
+COORDS  2.1602490000e+00  1.2596670000e+00  9.7833900000e-01  1.6751060000e+00  1.8243130000e+00  3.7663800000e-01  2.5822450000e+00  6.1283300000e-01  4.1286800000e-01 -2.1170770000e+00 -1.3015910000e+00 -9.3611700000e-01 -2.2890430000e+00 -1.1220990000e+00 -1.1756000000e-02 -2.6451920000e+00 -6.5760400000e-01 -1.4079290000e+00
+ENERGY -1.526545552768e+02
+FORCES -2.5570000000e-04 -7.0510000000e-04 -5.0544000000e-03  1.8864000000e-03 -2.0359000000e-03  2.6069000000e-03 -1.4780000000e-03  2.8346000000e-03  2.4359000000e-03 -3.0756000000e-03  3.1024000000e-03  2.1799000000e-03  5.8150000000e-04 -6.9520000000e-04 -4.0224000000e-03  2.3414000000e-03 -2.5007000000e-03  1.8541000000e-03
+
+JOB 79
+COORDS -2.6423000000e-01  1.3098340000e+00 -2.2667190000e+00  2.2425300000e-01  2.0649090000e+00 -1.9388800000e+00 -1.0390020000e+00  1.6875660000e+00 -2.6829870000e+00  2.8809400000e-01 -1.3211500000e+00  2.2362050000e+00  1.8663700000e-01 -2.2474690000e+00  2.0174100000e+00  2.7940400000e-01 -1.2982250000e+00  3.1930910000e+00
+ENERGY -1.526536608311e+02
+FORCES -1.0758000000e-03  4.5294000000e-03  3.4800000000e-04 -1.9927000000e-03 -2.8606000000e-03 -1.7366000000e-03  3.1190000000e-03 -1.5706000000e-03  1.5539000000e-03 -5.4870000000e-04 -3.8432000000e-03  2.5166000000e-03  4.5100000000e-04  3.7017000000e-03  1.2052000000e-03  4.7300000000e-05  4.3400000000e-05 -3.8871000000e-03
+
+JOB 80
+COORDS -5.8780800000e-01  2.5008060000e+00 -7.6266200000e-01 -3.5879400000e-01  2.8714890000e+00 -1.6149400000e+00 -1.6674600000e-01  3.0804520000e+00 -1.2788000000e-01  5.5949700000e-01 -2.6046490000e+00  7.3932700000e-01  2.1670900000e-01 -1.7479660000e+00  4.8472400000e-01  7.4735000000e-01 -2.5198240000e+00  1.6740720000e+00
+ENERGY -1.526549663148e+02
+FORCES  2.4958000000e-03  4.3629000000e-03 -1.3036000000e-03 -9.1550000000e-04 -1.4772000000e-03  3.6146000000e-03 -1.6798000000e-03 -2.6047000000e-03 -2.4904000000e-03 -9.3650000000e-04  4.2165000000e-03  2.4746000000e-03  1.6742000000e-03 -4.0727000000e-03  1.3442000000e-03 -6.3820000000e-04 -4.2490000000e-04 -3.6393000000e-03
+
+JOB 81
+COORDS  1.3965470000e+00  1.7136750000e+00  1.8408940000e+00  6.5891100000e-01  1.6055150000e+00  2.4412480000e+00  1.4838450000e+00  8.6233300000e-01  1.4121420000e+00 -1.3121960000e+00 -1.6733610000e+00 -1.8838910000e+00 -1.4109500000e+00 -1.8511650000e+00 -9.4854800000e-01 -2.1678170000e+00 -1.3422750000e+00 -2.1568860000e+00
+ENERGY -1.526539080113e+02
+FORCES -2.4203000000e-03 -3.8567000000e-03  4.0960000000e-04  2.8870000000e-03  3.4490000000e-04 -2.4678000000e-03 -5.2200000000e-04  3.4370000000e-03  2.1201000000e-03 -4.2186000000e-03  5.9270000000e-04  2.2723000000e-03  7.3520000000e-04  9.2440000000e-04 -3.5645000000e-03  3.5387000000e-03 -1.4422000000e-03  1.2303000000e-03
+
+JOB 82
+COORDS  5.8877300000e-01  2.0165600000e-01 -2.8985200000e+00 -5.0981000000e-02 -1.5559000000e-02 -2.2204620000e+00  2.1445100000e-01  9.5951600000e-01 -3.3477020000e+00 -6.0144400000e-01 -2.5463700000e-01  2.9011340000e+00  1.8333800000e-01 -7.6298900000e-01  2.6963680000e+00 -3.0269400000e-01  6.5470000000e-01  2.9104420000e+00
+ENERGY -1.526545274883e+02
+FORCES -4.4001000000e-03  2.0856000000e-03  7.6780000000e-04  2.9000000000e-03  9.7490000000e-04 -2.7790000000e-03  1.5962000000e-03 -3.0326000000e-03  1.8604000000e-03  4.6630000000e-03  1.5623000000e-03 -3.1060000000e-04 -3.3899000000e-03  2.1239000000e-03  6.8570000000e-04 -1.3691000000e-03 -3.7140000000e-03 -2.2430000000e-04
+
+JOB 83
+COORDS  2.8184300000e+00 -1.4058240000e+00 -3.5341100000e-01  2.4639630000e+00 -6.0543200000e-01  3.3834000000e-02  3.6232310000e+00 -1.5736150000e+00  1.3686800000e-01 -2.8887840000e+00  1.3377210000e+00  2.6884500000e-01 -1.9986680000e+00  1.5205230000e+00 -3.2000000000e-02 -2.9275550000e+00  1.7157260000e+00  1.1473900000e+00
+ENERGY -1.526536816557e+02
+FORCES  1.9517000000e-03  2.3463000000e-03  3.6092000000e-03  1.2761000000e-03 -3.0558000000e-03 -1.6185000000e-03 -3.3329000000e-03  7.4590000000e-04 -2.0144000000e-03  3.3158000000e-03  2.2075000000e-03  2.2141000000e-03 -3.4781000000e-03 -6.9280000000e-04  1.4045000000e-03  2.6740000000e-04 -1.5510000000e-03 -3.5948000000e-03
+
+JOB 84
+COORDS  5.6614200000e-01  1.3066080000e+00  2.8193010000e+00  1.1052560000e+00  1.9679160000e+00  2.3854130000e+00  3.7780200000e-01  1.6782050000e+00  3.6810880000e+00 -5.9175000000e-01 -1.3372710000e+00 -2.8075200000e+00 -1.1986570000e+00 -1.5439750000e+00 -3.5182730000e+00  1.9138500000e-01 -1.8516080000e+00 -3.0034520000e+00
+ENERGY -1.526537134021e+02
+FORCES  1.2939000000e-03  4.2087000000e-03  1.4158000000e-03 -2.0792000000e-03 -2.6524000000e-03  1.9580000000e-03  7.7670000000e-04 -1.5445000000e-03 -3.4629000000e-03  7.1560000000e-04 -3.0353000000e-03 -3.4357000000e-03  2.4734000000e-03  8.8290000000e-04  2.8610000000e-03 -3.1803000000e-03  2.1406000000e-03  6.6380000000e-04
+
+JOB 85
+COORDS  2.0787600000e-01 -1.1700190000e+00  3.1951850000e+00  3.9187300000e-01 -1.8209050000e+00  3.8724770000e+00  1.0298290000e+00 -1.0879860000e+00  2.7115570000e+00 -3.2361300000e-01  1.1827400000e+00 -3.2137230000e+00 -7.0456000000e-02  1.7855680000e+00 -2.5146220000e+00  4.9902000000e-01  9.6381100000e-01 -3.6514190000e+00
+ENERGY -1.526539172847e+02
+FORCES  3.9854000000e-03 -2.4871000000e-03  7.5700000000e-04 -7.1680000000e-04  2.6913000000e-03 -2.7569000000e-03 -3.2833000000e-03 -1.9840000000e-04  1.9670000000e-03  4.2136000000e-03  1.5987000000e-03  1.1765000000e-03 -8.9220000000e-04 -2.4630000000e-03 -2.9513000000e-03 -3.3067000000e-03  8.5850000000e-04  1.8077000000e-03
+
+JOB 86
+COORDS -1.0529000000e-01 -1.4185290000e+00  3.1845480000e+00 -3.2846500000e-01 -9.6794200000e-01  2.3700570000e+00 -5.8093300000e-01 -9.3850600000e-01  3.8624670000e+00  1.8119500000e-01  1.3455650000e+00 -3.2365710000e+00  4.9753300000e-01  1.8790350000e+00 -2.5074810000e+00 -7.5060700000e-01  1.2211350000e+00 -3.0563070000e+00
+ENERGY -1.526537772639e+02
+FORCES -2.8121000000e-03  3.6360000000e-03 -4.9530000000e-04  8.5940000000e-04 -1.6756000000e-03  3.3014000000e-03  1.9469000000e-03 -1.9135000000e-03 -2.8510000000e-03 -2.4188000000e-03  1.7568000000e-03  3.4420000000e-03 -1.4160000000e-03 -2.2807000000e-03 -2.8484000000e-03  3.8406000000e-03  4.7710000000e-04 -5.4870000000e-04
+
+JOB 87
+COORDS  7.8192000000e-01  2.1033900000e+00 -2.7748460000e+00  1.1653800000e+00  2.1551700000e+00 -1.8993410000e+00 -1.3934200000e-01  2.3296440000e+00 -2.6471070000e+00 -7.0066800000e-01 -2.1224180000e+00  2.7454930000e+00 -1.4905230000e+00 -1.6622940000e+00  3.0294750000e+00 -9.3629200000e-01 -2.5043090000e+00  1.8999910000e+00
+ENERGY -1.526541504760e+02
+FORCES -2.0270000000e-03  1.2064000000e-03  4.1531000000e-03 -1.6597000000e-03 -1.9090000000e-04 -3.6558000000e-03  3.6789000000e-03 -9.9670000000e-04 -5.2860000000e-04 -4.2077000000e-03  3.1900000000e-05 -2.2215000000e-03  3.2688000000e-03 -1.7519000000e-03 -1.2268000000e-03  9.4670000000e-04  1.7011000000e-03  3.4795000000e-03
+
+JOB 88
+COORDS -2.0749830000e+00  2.7674620000e+00  1.6068330000e+00 -2.7467740000e+00  3.0517380000e+00  2.2266030000e+00 -2.3889870000e+00  1.9231750000e+00  1.2830830000e+00  2.1035770000e+00 -2.7626850000e+00 -1.5735610000e+00  2.8933350000e+00 -3.0484330000e+00 -2.0327590000e+00  1.8628390000e+00 -1.9398950000e+00 -1.9993470000e+00
+ENERGY -1.526541954380e+02
+FORCES -3.9981000000e-03 -2.3858000000e-03  1.3270000000e-03  2.7213000000e-03 -1.1223000000e-03 -2.5449000000e-03  1.2622000000e-03  3.5265000000e-03  1.2277000000e-03  2.3525000000e-03  2.2887000000e-03 -3.5631000000e-03 -3.2331000000e-03  1.1285000000e-03  1.8508000000e-03  8.9520000000e-04 -3.4357000000e-03  1.7026000000e-03
+
+JOB 89
+COORDS  7.4174000000e-01  5.7216100000e-01  3.8911350000e+00  1.2507370000e+00 -4.3964000000e-02  4.4179600000e+00  8.1968000000e-01  1.4058990000e+00  4.3548580000e+00 -7.5321900000e-01 -5.4273200000e-01 -3.9174420000e+00 -4.0079000000e-01 -9.2036300000e-01 -4.7233080000e+00 -1.5981690000e+00 -9.7652600000e-01 -3.7986330000e+00
+ENERGY -1.526538658740e+02
+FORCES  2.4473000000e-03  9.3210000000e-04  3.9001000000e-03 -2.1003000000e-03  2.4930000000e-03 -2.1082000000e-03 -3.3690000000e-04 -3.4170000000e-03 -1.8360000000e-03 -2.0212000000e-03 -3.3240000000e-03 -2.6107000000e-03 -1.4215000000e-03  1.5527000000e-03  3.2527000000e-03  3.4326000000e-03  1.7632000000e-03 -5.9790000000e-04
+
+JOB 0
+COORDS  5.0331600000e-01  9.1015700000e-01  9.2865000000e-01  8.3416900000e-01  1.3418170000e+00  1.4097100000e-01 -9.3923000000e-02  2.3774400000e-01  6.0093200000e-01 -4.6031100000e-01 -9.1657800000e-01 -8.1029400000e-01 -9.0838000000e-02 -4.0216000000e-01 -1.5279960000e+00 -1.3635350000e+00 -1.0870740000e+00 -1.0774080000e+00
+ENERGY -1.526564736481e+02
+FORCES -5.5204000000e-03 -1.0581100000e-02 -1.1362500000e-02 -7.0140000000e-04 -1.3225000000e-03  8.8430000000e-04  1.5485000000e-03  6.2363000000e-03  5.0520000000e-03  1.8402000000e-03  4.5019000000e-03 -1.3069000000e-03 -2.1324000000e-03 -9.0310000000e-04  4.8379000000e-03  4.9656000000e-03  2.0685000000e-03  1.8951000000e-03
+
+JOB 1
+COORDS  1.1481620000e+00 -7.9989300000e-01 -2.1651900000e-01  1.2217890000e+00  1.1878200000e-01 -4.7506700000e-01  2.3894600000e-01 -8.9745400000e-01  6.6393000000e-02 -1.0550820000e+00  7.4176400000e-01  2.5429000000e-01 -1.1416970000e+00  1.5001370000e+00 -3.2329200000e-01 -1.8154390000e+00  1.9706600000e-01  5.0838000000e-02
+ENERGY -1.526540357242e+02
+FORCES -1.2153400000e-02  1.1962200000e-02  3.2480000000e-03  3.4276000000e-03 -1.1496000000e-03 -1.8703000000e-03 -5.7200000000e-04 -6.4007000000e-03 -5.8010000000e-04  1.6424000000e-03 -1.1086000000e-03 -4.3081000000e-03  1.4969000000e-03 -3.9299000000e-03  2.5744000000e-03  6.1584000000e-03  6.2660000000e-04  9.3600000000e-04
+
+JOB 2
+COORDS -4.3594000000e-02 -1.2568380000e+00 -2.6350600000e-01 -6.2559800000e-01 -1.4922810000e+00 -9.8605000000e-01  3.8954100000e-01 -2.0770710000e+00 -2.7192000000e-02  4.5097000000e-02  1.3417280000e+00  2.3601400000e-01 -2.4061900000e-01  1.7471980000e+00  1.0546670000e+00  4.5138200000e-01  5.1790600000e-01  5.0523800000e-01
+ENERGY -1.526560094365e+02
+FORCES -4.1123000000e-03  4.4086000000e-03 -4.1484000000e-03  3.0495000000e-03 -1.6971000000e-03  3.4481000000e-03 -1.6591000000e-03  5.3021000000e-03 -1.5360000000e-04 -4.6290000000e-04 -1.1584700000e-02  1.3850000000e-04  8.2150000000e-04 -3.0049000000e-03 -2.5694000000e-03  2.3633000000e-03  6.5759000000e-03  3.2847000000e-03
+
+JOB 3
+COORDS -1.1881550000e+00  5.6219500000e-01 -4.5569000000e-01 -1.3261010000e+00  7.7203000000e-02 -1.2693150000e+00 -2.6160100000e-01  8.0182200000e-01 -4.7328500000e-01  1.1808150000e+00 -5.8037200000e-01  4.4315900000e-01  1.3610650000e+00  2.5907100000e-01  8.6633500000e-01  4.2721400000e-01 -9.3138600000e-01  9.1761200000e-01
+ENERGY -1.526552906714e+02
+FORCES  1.0837200000e-02 -5.6038000000e-03 -3.0674000000e-03 -4.3090000000e-04  1.5938000000e-03  3.1747000000e-03 -3.5140000000e-03  3.9033000000e-03  2.6213000000e-03 -9.3444000000e-03  1.4323000000e-03  3.8484000000e-03 -2.8432000000e-03 -1.7643000000e-03 -5.3119000000e-03  5.2953000000e-03  4.3870000000e-04 -1.2652000000e-03
+
+JOB 4
+COORDS -7.6055100000e-01 -1.0874570000e+00 -4.4610400000e-01 -6.4522000000e-02 -1.5710570000e+00 -8.9097000000e-01 -7.4478700000e-01 -2.1925800000e-01 -8.4886200000e-01  7.7139000000e-01  1.0999620000e+00  4.5950500000e-01  6.7543200000e-01  1.6304400000e-01  6.3040900000e-01 -1.0083000000e-02  1.4955940000e+00  8.4551900000e-01
+ENERGY -1.526578354682e+02
+FORCES  3.8673000000e-03  5.7602000000e-03 -5.3139000000e-03 -1.9646000000e-03  2.8078000000e-03  3.9073000000e-03 -1.2579000000e-03 -4.5397000000e-03  3.5991000000e-03 -6.6045000000e-03 -8.0365000000e-03  3.6911000000e-03  3.5531000000e-03  5.0958000000e-03 -2.4519000000e-03  2.4066000000e-03 -1.0876000000e-03 -3.4317000000e-03
+
+JOB 5
+COORDS  3.9606800000e-01 -6.2966600000e-01  1.0899520000e+00  2.5938000000e-01 -1.5328690000e+00  8.0399100000e-01  8.7834000000e-01 -7.0889200000e-01  1.9129750000e+00 -4.2427300000e-01  7.4633000000e-01 -1.1399190000e+00 -5.6012700000e-01 -7.5059000000e-02 -1.6122490000e+00 -1.2635100000e-01  4.7707500000e-01 -2.7102500000e-01
+ENERGY -1.526586759809e+02
+FORCES  1.0870000000e-04  2.1290000000e-04 -2.0783000000e-03  8.3950000000e-04  4.6471000000e-03  1.0947000000e-03 -2.4348000000e-03 -1.4848000000e-03 -3.9904000000e-03  4.2029000000e-03 -7.4912000000e-03  1.0043100000e-02  3.6310000000e-04  1.4603000000e-03  1.7088000000e-03 -3.0793000000e-03  2.6557000000e-03 -6.7778000000e-03
+
+JOB 6
+COORDS  7.9913100000e-01 -8.3143000000e-01 -8.5663300000e-01  1.9147200000e-01 -2.7285100000e-01 -3.7189300000e-01  2.8328100000e-01 -1.6042250000e+00 -1.0866720000e+00 -7.5800500000e-01  7.8835000000e-01  8.1178400000e-01 -1.3923700000e-01  8.0393200000e-01  1.5419310000e+00 -8.8873300000e-01  1.7098660000e+00  5.8828900000e-01
+ENERGY -1.526619661719e+02
+FORCES -9.5117000000e-03  5.5225000000e-03  5.9720000000e-03  7.6175000000e-03 -6.2756000000e-03 -4.9357000000e-03  9.9720000000e-04  2.5928000000e-03  1.1193000000e-03  2.7403000000e-03  2.7092000000e-03  1.1174000000e-03 -3.0596000000e-03  1.0130000000e-04 -5.0061000000e-03  1.2163000000e-03 -4.6502000000e-03  1.7332000000e-03
+
+JOB 7
+COORDS  1.6637400000e-01  7.8197500000e-01 -1.1143810000e+00  8.0673800000e-01  7.3336000000e-02 -1.1775960000e+00  6.2376500000e-01  1.5499980000e+00 -1.4566760000e+00 -2.7417700000e-01 -8.3962700000e-01  1.1256610000e+00  2.7625300000e-01 -6.9053300000e-01  1.8944450000e+00 -1.1663100000e-01 -7.8858000000e-02  5.6651800000e-01
+ENERGY -1.526595040470e+02
+FORCES  2.9308000000e-03 -5.0230000000e-04 -2.1790000000e-03 -3.8512000000e-03  5.3054000000e-03  3.9961000000e-03 -1.3537000000e-03 -4.5209000000e-03  1.2426000000e-03  3.7040000000e-04  8.4655000000e-03 -3.7297000000e-03 -1.1664000000e-03  2.2070000000e-04 -3.5468000000e-03  3.0702000000e-03 -8.9685000000e-03  4.2166000000e-03
+
+JOB 8
+COORDS  1.2843090000e+00 -2.2410100000e-01  3.4187000000e-01  1.6534100000e+00 -1.1043240000e+00  2.6972800000e-01  1.7100270000e+00  1.5225600000e-01  1.1121630000e+00 -1.3868220000e+00  2.3348200000e-01 -3.4733500000e-01 -1.3630110000e+00  4.9959100000e-01 -1.2664930000e+00 -4.7592600000e-01  2.8739900000e-01 -5.8209000000e-02
+ENERGY -1.526609734572e+02
+FORCES -1.2289000000e-03 -3.8246000000e-03  8.0260000000e-04  1.4440000000e-04  4.7301000000e-03  1.2292000000e-03 -2.2745000000e-03 -2.3588000000e-03 -3.7447000000e-03  1.1862200000e-02 -1.1146000000e-03  5.3980000000e-04  3.5050000000e-04 -1.0980000000e-03  2.6072000000e-03 -8.8536000000e-03  3.6659000000e-03 -1.4340000000e-03
+
+JOB 9
+COORDS  1.4702970000e+00 -8.8531000000e-02  7.0320000000e-03  9.7745300000e-01  4.7912100000e-01  5.9957600000e-01  8.0864100000e-01 -6.5831800000e-01 -3.8512200000e-01 -1.4005980000e+00  6.4807000000e-02  3.8406000000e-02 -1.5404980000e+00 -3.7093600000e-01 -8.0230100000e-01 -1.3902630000e+00  9.9812700000e-01 -1.7381800000e-01
+ENERGY -1.526550669968e+02
+FORCES -1.3334200000e-02 -5.7890000000e-04  3.0622000000e-03  4.0593000000e-03  2.1048000000e-03 -1.1081000000e-03  3.4811000000e-03 -9.4520000000e-04 -3.3240000000e-03  1.2598000000e-03  2.7539000000e-03 -4.9451000000e-03  3.2100000000e-03  1.1578000000e-03  4.2289000000e-03  1.3240000000e-03 -4.4925000000e-03  2.0861000000e-03
+
+JOB 10
+COORDS -4.4496200000e-01 -1.2558670000e+00  6.7467500000e-01 -1.0745650000e+00 -6.5167100000e-01  2.8125400000e-01  4.0849100000e-01 -9.3991700000e-01  3.7798400000e-01  4.0389200000e-01  1.2525160000e+00 -6.0223300000e-01  5.7627000000e-02  8.1675200000e-01 -1.3809780000e+00  1.2238770000e+00  7.9518500000e-01 -4.1594400000e-01
+ENERGY -1.526514404100e+02
+FORCES  1.0411000000e-03  1.1356200000e-02 -3.1085000000e-03 -1.2770000000e-04 -4.8247000000e-03 -3.4570000000e-04  1.9132000000e-03 -1.4530000000e-03 -1.0984000000e-03  2.4706000000e-03 -3.9505000000e-03 -1.9250000000e-03  3.0800000000e-04  5.9720000000e-04  5.7005000000e-03 -5.6052000000e-03 -1.7252000000e-03  7.7700000000e-04
+
+JOB 11
+COORDS -7.0261200000e-01  1.6699000000e-01 -1.2720760000e+00 -1.0188780000e+00  1.0688730000e+00 -1.3251370000e+00 -3.3195400000e-01  9.4007000000e-02 -3.9257800000e-01  6.6746800000e-01 -1.9042300000e-01  1.1727380000e+00  1.4273260000e+00 -7.7246200000e-01  1.1815890000e+00  4.8169400000e-01 -2.4224000000e-02  2.0969120000e+00
+ENERGY -1.526614826859e+02
+FORCES  4.5253000000e-03  1.1978000000e-03  9.6436000000e-03  8.9530000000e-04 -2.5764000000e-03  9.5310000000e-04 -4.6119000000e-03  1.2661000000e-03 -8.5370000000e-03  7.5180000000e-04 -1.7315000000e-03  1.7110000000e-04 -3.5930000000e-03  2.9263000000e-03  1.7339000000e-03  2.0325000000e-03 -1.0823000000e-03 -3.9648000000e-03
+
+JOB 12
+COORDS  2.0639200000e-01  1.3343610000e+00 -5.3030400000e-01  5.0503200000e-01  2.0511720000e+00  2.9364000000e-02  9.9474000000e-02  5.9305900000e-01  6.5743000000e-02 -2.2683100000e-01 -1.2832550000e+00  4.8657000000e-01  6.1878200000e-01 -1.6363660000e+00  2.1001200000e-01 -8.4840000000e-01 -1.9923490000e+00  3.2204100000e-01
+ENERGY -1.526605234531e+02
+FORCES -2.7079000000e-03 -6.2525000000e-03  5.1058000000e-03 -9.5740000000e-04 -3.5475000000e-03 -1.0442000000e-03  5.4282000000e-03  8.2641000000e-03 -2.7164000000e-03 -1.4742000000e-03 -2.5826000000e-03 -3.9627000000e-03 -4.3254000000e-03  2.5479000000e-03  1.7066000000e-03  4.0367000000e-03  1.5706000000e-03  9.1090000000e-04
+
+JOB 13
+COORDS -1.3032980000e+00  4.7564400000e-01 -1.6485700000e-01 -1.3864020000e+00  1.2978010000e+00 -6.4795400000e-01 -1.4797820000e+00  7.1327800000e-01  7.4542600000e-01  1.3530770000e+00 -5.9544800000e-01  1.1621500000e-01  1.7423560000e+00  2.3014900000e-01  4.0445500000e-01  4.0997700000e-01 -4.6220000000e-01  2.1128700000e-01
+ENERGY -1.526582739982e+02
+FORCES  1.9110000000e-04  4.8990000000e-03 -1.7369000000e-03 -4.3430000000e-04 -3.3446000000e-03  3.4642000000e-03  4.0139000000e-03 -2.0515000000e-03 -4.5979000000e-03 -9.5743000000e-03  6.6233000000e-03 -1.5907000000e-03 -1.0409000000e-03 -2.2893000000e-03 -5.9230000000e-04  6.8445000000e-03 -3.8370000000e-03  5.0536000000e-03
+
+JOB 14
+COORDS -1.1535150000e+00  7.0557500000e-01 -6.0188000000e-01 -1.8653210000e+00  6.5630000000e-02 -5.9614700000e-01 -3.7532000000e-01  2.0108000000e-01 -3.6496400000e-01  1.1019310000e+00 -5.9602000000e-01  5.7803200000e-01  1.8476380000e+00 -7.3177300000e-01 -6.5390000000e-03  1.3090650000e+00 -1.1143880000e+00  1.3556060000e+00
+ENERGY -1.526603873510e+02
+FORCES  5.9382000000e-03 -6.9058000000e-03  5.1899000000e-03  2.1246000000e-03  1.7675000000e-03  2.2310000000e-04 -5.3729000000e-03  4.0484000000e-03 -6.6227000000e-03  9.2200000000e-04 -1.1558000000e-03  2.5063000000e-03 -4.3499000000e-03  4.5320000000e-04  2.8472000000e-03  7.3800000000e-04  1.7925000000e-03 -4.1437000000e-03
+
+JOB 15
+COORDS -1.4409910000e+00  1.9700800000e-01 -7.4267000000e-02 -1.3458050000e+00  5.8499500000e-01  7.9558200000e-01 -1.1479660000e+00  8.8154300000e-01 -6.7574900000e-01  1.4780290000e+00 -2.3644300000e-01  4.3796000000e-02  6.9609900000e-01  2.3771400000e-01  3.2662600000e-01  1.2241720000e+00 -1.1588020000e+00  7.6075000000e-02
+ENERGY -1.526544698052e+02
+FORCES  2.1000000000e-06  4.1240000000e-03 -1.3642000000e-03  4.4258000000e-03 -3.1115000000e-03 -5.1317000000e-03  3.4540000000e-04 -3.7684000000e-03  5.0033000000e-03 -1.1243600000e-02 -4.1685000000e-03 -3.0170000000e-04  3.2155000000e-03  4.4357000000e-03  1.4959000000e-03  3.2549000000e-03  2.4887000000e-03  2.9850000000e-04
+
+JOB 16
+COORDS  2.0102500000e-01 -1.3511390000e+00  5.3293500000e-01 -7.2750800000e-01 -1.4126690000e+00  3.0871900000e-01  6.5832400000e-01 -1.5088500000e+00 -2.9304200000e-01 -2.3517700000e-01  1.3687250000e+00 -5.0596500000e-01 -2.4473000000e-02  8.2286800000e-01  2.5158100000e-01  5.7898800000e-01  1.8325850000e+00 -7.0141400000e-01
+ENERGY -1.526595054318e+02
+FORCES -2.6264000000e-03 -1.4563000000e-03 -7.6912000000e-03  4.6250000000e-03  1.3381000000e-03  2.1117000000e-03 -1.2893000000e-03  4.7490000000e-04  4.3221000000e-03  4.8378000000e-03 -4.4807000000e-03  5.0892000000e-03 -3.0334000000e-03  6.6438000000e-03 -4.3274000000e-03 -2.5137000000e-03 -2.5198000000e-03  4.9560000000e-04
+
+JOB 17
+COORDS  6.6473900000e-01 -1.0461080000e+00  6.8856700000e-01  1.4158300000e+00 -1.3820420000e+00  1.1776920000e+00 -4.4062000000e-02 -1.0117370000e+00  1.3309460000e+00 -7.0517700000e-01  1.0498060000e+00 -7.9337900000e-01 -5.3255500000e-01  1.9360170000e+00 -4.7547300000e-01 -3.2800000000e-02  5.1036000000e-01 -3.7728000000e-01
+ENERGY -1.526608578579e+02
+FORCES  1.5800000000e-04 -2.4391000000e-03  3.8785000000e-03 -4.2558000000e-03  1.1805000000e-03 -1.2091000000e-03  4.7112000000e-03  9.2180000000e-04 -3.1643000000e-03  6.6415000000e-03 -3.0370000000e-03  3.4166000000e-03 -3.5500000000e-04 -3.3476000000e-03 -3.5600000000e-04 -6.8998000000e-03  6.7214000000e-03 -2.5658000000e-03
+
+JOB 18
+COORDS  4.7710800000e-01  1.2878920000e+00 -4.6209500000e-01  6.3987600000e-01  5.7410900000e-01 -1.0787420000e+00  1.1895130000e+00  1.9076620000e+00 -6.1892500000e-01 -5.3732600000e-01 -1.3081750000e+00  4.5985300000e-01 -9.7368500000e-01 -5.0244500000e-01  7.3665800000e-01  8.8184000000e-02 -1.4950170000e+00  1.1598950000e+00
+ENERGY -1.526582439802e+02
+FORCES  2.3307000000e-03 -3.4370000000e-03 -3.4084000000e-03  5.2160000000e-04  5.9762000000e-03  1.1708000000e-03 -2.3517000000e-03 -3.5407000000e-03  8.4180000000e-04  1.9025000000e-03  6.8264000000e-03  4.6033000000e-03 -1.5450000000e-04 -5.6278000000e-03 -5.6590000000e-04 -2.2486000000e-03 -1.9700000000e-04 -2.6417000000e-03
+
+JOB 19
+COORDS  1.0709350000e+00  7.3924200000e-01 -7.9377000000e-01  1.7619590000e+00  7.7182000000e-02 -8.1360700000e-01  2.6092000000e-01  2.3794900000e-01 -6.9989000000e-01 -1.0437810000e+00 -6.7269700000e-01  7.2142800000e-01 -9.3573600000e-01 -1.3882360000e+00  1.3479750000e+00 -1.5158710000e+00  3.0700000000e-03  1.2079490000e+00
+ENERGY -1.526594587525e+02
+FORCES -4.5034000000e-03 -7.6938000000e-03  4.2019000000e-03 -1.6754000000e-03  2.1547000000e-03 -2.0100000000e-05  4.6846000000e-03  5.0498000000e-03 -5.0464000000e-03  6.7030000000e-04  8.9370000000e-04  5.1525000000e-03 -9.0650000000e-04  3.3000000000e-03 -2.1672000000e-03  1.7304000000e-03 -3.7044000000e-03 -2.1207000000e-03
+
+JOB 20
+COORDS -1.2085500000e-01  1.4252990000e+00  6.0107000000e-02 -8.8356100000e-01  1.6145030000e+00 -4.8644100000e-01  2.6997800000e-01  2.2820780000e+00  2.3160300000e-01  9.8228000000e-02 -1.5181490000e+00  1.1880000000e-03  8.4346900000e-01 -1.7984800000e+00 -5.3009500000e-01  2.2818000000e-02 -5.7899800000e-01 -1.6775500000e-01
+ENERGY -1.526599160439e+02
+FORCES  2.7710000000e-04  4.6552000000e-03  8.8470000000e-04  4.5534000000e-03 -2.0749000000e-03  2.2846000000e-03 -3.0059000000e-03 -2.8723000000e-03 -1.3921000000e-03  2.9708000000e-03  7.9360000000e-03 -7.8410000000e-04 -2.3276000000e-03  1.0874000000e-03  1.6544000000e-03 -2.4678000000e-03 -8.7314000000e-03 -2.6475000000e-03
+
+JOB 21
+COORDS  3.5890100000e-01  7.3658500000e-01  1.3222100000e+00  9.4697100000e-01  5.1385200000e-01  6.0054900000e-01 -4.8981700000e-01  8.8181000000e-01  9.0409600000e-01 -3.2355000000e-01 -6.8011500000e-01 -1.2384250000e+00 -1.0832610000e+00 -1.1463290000e+00 -8.8954800000e-01  8.0470000000e-03 -1.2481400000e+00 -1.9338550000e+00
+ENERGY -1.526576426507e+02
+FORCES -1.5426000000e-03 -2.7346000000e-03 -9.9945000000e-03  1.2457000000e-03  2.4300000000e-03  5.0893000000e-03  7.0900000000e-04 -1.2690000000e-04  3.7309000000e-03 -2.1113000000e-03 -4.8402000000e-03 -4.1440000000e-04  2.8777000000e-03  2.9808000000e-03 -1.9540000000e-03 -1.1785000000e-03  2.2909000000e-03  3.5427000000e-03
+
+JOB 22
+COORDS  1.1244720000e+00  2.5406500000e-01 -9.7823700000e-01  5.9775700000e-01  2.9081300000e-01 -1.7983100000e-01  1.7735210000e+00  9.4919100000e-01 -8.6976700000e-01 -1.0901520000e+00 -3.0855700000e-01  9.6925200000e-01 -1.9660090000e+00  7.0371000000e-02  1.0435470000e+00 -1.0353300000e+00 -6.1028400000e-01  6.2506000000e-02
+ENERGY -1.526587666794e+02
+FORCES  5.8500000000e-05  3.4545000000e-03  6.4049000000e-03  7.8960000000e-04 -3.4202000000e-03 -8.5775000000e-03 -2.4142000000e-03 -2.2821000000e-03 -1.4050000000e-04 -6.2278000000e-03 -7.3960000000e-04 -2.8231000000e-03  3.7023000000e-03 -2.2915000000e-03 -4.2860000000e-04  4.0915000000e-03  5.2789000000e-03  5.5649000000e-03
+
+JOB 23
+COORDS  4.7826000000e-01  8.0044400000e-01 -1.1681740000e+00  1.0111900000e-01  9.7918800000e-01 -3.0675300000e-01  3.5498800000e-01  1.6137800000e+00 -1.6575820000e+00 -4.5113900000e-01 -8.1695400000e-01  1.0980100000e+00  2.3879500000e-01 -1.4264320000e+00  1.3602310000e+00 -1.1353790000e+00 -9.3082700000e-01  1.7576170000e+00
+ENERGY -1.526575844753e+02
+FORCES -3.2904000000e-03  5.1120000000e-04  4.5449000000e-03  3.0202000000e-03  4.3111000000e-03 -6.0975000000e-03 -2.5220000000e-04 -3.1955000000e-03  2.4826000000e-03  1.1805000000e-03 -4.9625000000e-03  2.1938000000e-03 -3.7200000000e-03  2.4820000000e-03 -3.1200000000e-05  3.0618000000e-03  8.5370000000e-04 -3.0926000000e-03
+
+JOB 24
+COORDS  2.4005300000e-01  4.5665900000e-01  1.3370100000e+00  7.8406700000e-01  1.1783740000e+00  1.6523020000e+00 -2.1290000000e-01  1.3861600000e-01  2.1179800000e+00 -3.0176900000e-01 -5.2538700000e-01 -1.4040490000e+00  3.0022300000e-01 -2.9593700000e-01 -2.1119970000e+00  7.9060000000e-03 -1.9998000000e-02 -6.5244100000e-01
+ENERGY -1.526606445315e+02
+FORCES -1.3793000000e-03 -3.6430000000e-04  4.6790000000e-03 -2.4829000000e-03 -3.3971000000e-03 -1.4100000000e-03  2.9847000000e-03  2.6583000000e-03 -2.2409000000e-03  3.3052000000e-03  3.4156000000e-03  5.7901000000e-03 -1.5438000000e-03 -1.2830000000e-04  3.0024000000e-03 -8.8390000000e-04 -2.1842000000e-03 -9.8207000000e-03
+
+JOB 25
+COORDS  4.7463300000e-01  1.3425500000e+00  5.6138300000e-01 -3.7200000000e-03  5.2529100000e-01  4.2175000000e-01 -1.9936300000e-01  2.0218740000e+00  5.3947100000e-01 -4.0185000000e-01 -1.2699240000e+00 -5.4318600000e-01  9.7230000000e-03 -2.0343610000e+00 -1.4010300000e-01 -1.0834450000e+00 -1.6341930000e+00 -1.1079580000e+00
+ENERGY -1.526603117059e+02
+FORCES -5.2080000000e-03 -5.3178000000e-03 -3.5066000000e-03  3.0914000000e-03  7.5998000000e-03  5.1347000000e-03  1.8650000000e-03 -2.4161000000e-03 -2.2610000000e-04 -5.0230000000e-04 -4.0934000000e-03 -2.0577000000e-03 -2.6013000000e-03  3.5270000000e-03 -1.9872000000e-03  3.3552000000e-03  7.0050000000e-04  2.6430000000e-03
+
+JOB 26
+COORDS  8.9241500000e-01  1.1404440000e+00 -7.0569000000e-02  1.5194090000e+00  9.9148700000e-01 -7.7832800000e-01  1.2330650000e+00  1.9042610000e+00  3.9502100000e-01 -9.6060600000e-01 -1.2448970000e+00  7.8833000000e-02 -1.6401370000e+00 -6.0548300000e-01  2.9242100000e-01 -1.5714700000e-01 -7.2866400000e-01  1.4102000000e-02
+ENERGY -1.526598612815e+02
+FORCES  3.4417000000e-03  3.7080000000e-03  2.4370000000e-04 -3.2234000000e-03 -1.8330000000e-04  4.0348000000e-03 -1.1163000000e-03 -2.8658000000e-03 -3.1313000000e-03  2.9592000000e-03  9.5798000000e-03  1.1894000000e-03  5.8970000000e-04 -3.0961000000e-03 -3.2460000000e-04 -2.6509000000e-03 -7.1426000000e-03 -2.0119000000e-03
+
+JOB 27
+COORDS  5.2770200000e-01  7.9721700000e-01 -1.3377820000e+00  1.1822870000e+00  1.0190700000e-01 -1.2722520000e+00 -2.5746400000e-01  4.2637800000e-01 -9.3501000000e-01 -4.6994500000e-01 -7.0394600000e-01  1.3211470000e+00 -4.6056000000e-01 -1.6604710000e+00  1.2864390000e+00 -1.3955790000e+00 -4.7034100000e-01  1.2514230000e+00
+ENERGY -1.526558073555e+02
+FORCES -2.2190000000e-04 -6.1117000000e-03  6.9089000000e-03 -1.3799000000e-03  2.4850000000e-03 -2.2211000000e-03 -6.2300000000e-05  2.8203000000e-03 -4.8888000000e-03 -3.6433000000e-03 -3.2352000000e-03  2.8751000000e-03  3.3070000000e-04  4.7740000000e-03 -7.5570000000e-04  4.9767000000e-03 -7.3240000000e-04 -1.9183000000e-03
+
+JOB 28
+COORDS -1.2853860000e+00  7.8601200000e-01  7.2214600000e-01 -5.9275400000e-01  9.0010000000e-01  1.3728970000e+00 -8.1958800000e-01  6.5943100000e-01 -1.0443800000e-01  1.2175360000e+00 -7.5428100000e-01 -6.6358300000e-01  1.1066510000e+00 -1.7010160000e+00 -7.5092700000e-01  1.2696970000e+00 -4.3464900000e-01 -1.5643310000e+00
+ENERGY -1.526577262040e+02
+FORCES  8.3846000000e-03 -2.7561000000e-03 -1.4148000000e-03 -3.6993000000e-03  7.3920000000e-04 -9.0210000000e-04 -4.9777000000e-03  3.3737000000e-03  1.2400000000e-03  1.1375000000e-03 -5.1427000000e-03 -3.4453000000e-03  1.0392000000e-03  4.3625000000e-03 -1.4600000000e-04 -1.8843000000e-03 -5.7660000000e-04  4.6682000000e-03
+
+JOB 29
+COORDS -6.3769400000e-01 -1.0796200000e-01 -1.5745890000e+00 -1.2916840000e+00  4.6076100000e-01 -1.1682840000e+00  1.8006800000e-01  1.0847200000e-01 -1.1266460000e+00  5.9951000000e-01  4.7062000000e-02  1.5721500000e+00  1.4955520000e+00  3.8021600000e-01  1.5236820000e+00  3.1696500000e-01 -1.5272000000e-02  6.5972800000e-01
+ENERGY -1.526506577898e+02
+FORCES -6.6330000000e-04  4.4681000000e-03  7.6660000000e-04  4.2018000000e-03 -3.5382000000e-03 -1.4423000000e-03 -4.0761000000e-03 -2.5713000000e-03  5.0578000000e-03  2.1048000000e-03 -4.8880000000e-04 -2.8933000000e-03 -4.5112000000e-03 -1.4738000000e-03 -8.2270000000e-04  2.9439000000e-03  3.6039000000e-03 -6.6600000000e-04
+
+JOB 30
+COORDS  2.1471200000e-01 -9.7293600000e-01 -1.3232630000e+00 -4.1758400000e-01 -1.6908800000e+00 -1.3547180000e+00 -3.1942300000e-01 -1.8029900000e-01 -1.3748240000e+00 -2.2339200000e-01  9.7577900000e-01  1.3196400000e+00  3.7374800000e-01  3.3399300000e-01  9.3523600000e-01  3.3639000000e-01  1.5270480000e+00  1.8664290000e+00
+ENERGY -1.526593384429e+02
+FORCES -6.1903000000e-03 -2.5940000000e-04 -2.5251000000e-03  2.7539000000e-03  3.0379000000e-03 -4.7700000000e-05  3.6304000000e-03 -4.4247000000e-03  6.6100000000e-04  5.2216000000e-03 -1.5375000000e-03  9.2700000000e-04 -3.4999000000e-03  5.5990000000e-03  3.1984000000e-03 -1.9158000000e-03 -2.4153000000e-03 -2.2137000000e-03
+
+JOB 31
+COORDS  3.4090000000e-01 -9.6930600000e-01 -1.3436130000e+00  1.9468500000e-01 -1.1849100000e-01 -9.3013100000e-01  1.2184600000e+00 -1.2260990000e+00 -1.0604570000e+00 -3.7215500000e-01  9.2363200000e-01  1.2425720000e+00 -3.3984800000e-01  1.7616940000e+00  1.7039180000e+00 -6.5292400000e-01  2.9452400000e-01  1.9071200000e+00
+ENERGY -1.526592998579e+02
+FORCES  2.0998000000e-03  4.4619000000e-03  4.8970000000e-03  1.5886000000e-03 -5.0436000000e-03 -5.7526000000e-03 -2.9401000000e-03  2.6010000000e-04 -1.2337000000e-03 -2.1082000000e-03  6.4310000000e-04  5.8500000000e-03 -1.5630000000e-04 -3.9016000000e-03 -1.5980000000e-03  1.5163000000e-03  3.5802000000e-03 -2.1627000000e-03
+
+JOB 32
+COORDS  1.0415190000e+00  8.2596400000e-01  1.0314150000e+00  3.9022400000e-01  1.1539910000e+00  4.1137900000e-01  1.2675220000e+00  1.5865160000e+00  1.5668720000e+00 -1.0449020000e+00 -8.4498100000e-01 -1.0786120000e+00 -1.4576580000e+00 -1.1491050000e+00 -2.7029700000e-01 -1.8372900000e-01 -1.2628460000e+00 -1.0802750000e+00
+ENERGY -1.526582522847e+02
+FORCES -2.0219000000e-03  4.6198000000e-03 -1.1655000000e-03  4.3076000000e-03 -2.9440000000e-04  4.4794000000e-03 -1.3247000000e-03 -2.9155000000e-03 -2.2703000000e-03  2.1985000000e-03 -5.0780000000e-03  3.5305000000e-03  1.1172000000e-03  1.7074000000e-03 -3.7288000000e-03 -4.2767000000e-03  1.9606000000e-03 -8.4530000000e-04
+
+JOB 33
+COORDS -2.2086800000e-01 -1.3697300000e-01  1.7233700000e+00 -2.4734600000e-01 -1.0528850000e+00  2.0002030000e+00  5.0608200000e-01 -9.4969000000e-02  1.1020730000e+00  2.3818200000e-01  2.0405400000e-01 -1.6788490000e+00  8.0300000000e-02 -6.4768200000e-01 -2.0860960000e+00 -6.0347300000e-01  6.5651400000e-01 -1.7347820000e+00
+ENERGY -1.526573795761e+02
+FORCES  3.6431000000e-03 -2.8551000000e-03 -3.4825000000e-03 -8.2800000000e-05  3.2765000000e-03 -1.2031000000e-03 -2.6376000000e-03 -8.2270000000e-04  6.0426000000e-03 -5.7482000000e-03 -9.3140000000e-04 -2.5560000000e-03  9.0520000000e-04  3.3282000000e-03  2.0133000000e-03  3.9203000000e-03 -1.9955000000e-03 -8.1440000000e-04
+
+JOB 34
+COORDS  3.7502400000e-01 -1.6671220000e+00 -3.2702200000e-01  7.6518000000e-02 -2.4687120000e+00  1.0260300000e-01  2.1600200000e-01 -9.7648600000e-01  3.1638000000e-01 -2.8502000000e-01  1.6736990000e+00  2.7638700000e-01 -1.0009330000e+00  1.9941200000e+00  8.2505000000e-01 -7.1924100000e-01  1.2979710000e+00 -4.8945400000e-01
+ENERGY -1.526578810651e+02
+FORCES -4.1660000000e-04  4.0030000000e-04  5.1755000000e-03  9.6680000000e-04  3.3734000000e-03 -1.5093000000e-03 -6.4470000000e-04 -5.9710000000e-03 -3.9900000000e-03 -4.9930000000e-03  2.9247000000e-03 -2.5108000000e-03  3.1369000000e-03 -1.9867000000e-03 -2.2882000000e-03  1.9506000000e-03  1.2593000000e-03  5.1228000000e-03
+
+JOB 35
+COORDS -1.0365230000e+00 -6.2358200000e-01 -1.1550330000e+00 -6.2935100000e-01 -6.1772800000e-01 -2.0212950000e+00 -1.8949210000e+00 -1.0229640000e+00 -1.2960270000e+00  1.1214420000e+00  6.8333800000e-01  1.2083010000e+00  1.0408240000e+00 -2.6683900000e-01  1.2913450000e+00  2.1885800000e-01  9.9651100000e-01  1.1491720000e+00
+ENERGY -1.526568436192e+02
+FORCES -1.2240000000e-03 -1.4279000000e-03 -5.6612000000e-03 -2.4310000000e-03 -5.2880000000e-04  3.4477000000e-03  3.7707000000e-03  1.8044000000e-03  9.2100000000e-04 -6.0694000000e-03 -3.8014000000e-03 -2.3265000000e-03  1.8357000000e-03  3.5014000000e-03  1.3047000000e-03  4.1180000000e-03  4.5230000000e-04  2.3143000000e-03
+
+JOB 36
+COORDS  5.5113100000e-01 -1.1455620000e+00  1.0813570000e+00  8.3707000000e-02 -1.9807620000e+00  1.0676650000e+00  1.1886630000e+00 -1.2389210000e+00  1.7892180000e+00 -6.2047700000e-01  1.1748470000e+00 -1.1427960000e+00  1.0198000000e-02  8.1065100000e-01 -5.2163500000e-01 -2.3103500000e-01  2.0033890000e+00 -1.4222340000e+00
+ENERGY -1.526585924353e+02
+FORCES -1.2590000000e-04 -5.4834000000e-03  3.3752000000e-03  2.6982000000e-03  3.1471000000e-03  8.7970000000e-04 -2.7063000000e-03  2.6460000000e-04 -3.0250000000e-03  4.4131000000e-03 -1.3010000000e-04  2.8976000000e-03 -3.0431000000e-03  5.2481000000e-03 -5.3441000000e-03 -1.2360000000e-03 -3.0464000000e-03  1.2166000000e-03
+
+JOB 37
+COORDS -1.3440590000e+00  1.0667180000e+00  4.6807400000e-01 -8.7463400000e-01  1.3065180000e+00 -3.3090600000e-01 -7.6235000000e-01  1.3371270000e+00  1.1785150000e+00  1.2785240000e+00 -1.0371290000e+00 -4.9611100000e-01  1.7380080000e+00 -1.2172160000e+00  3.2405700000e-01  9.6934100000e-01 -1.8936610000e+00 -7.9105200000e-01
+ENERGY -1.526551052828e+02
+FORCES  6.6333000000e-03  1.2780000000e-04 -1.6286000000e-03 -3.5168000000e-03  1.0238000000e-03  3.1143000000e-03 -2.6349000000e-03 -5.7250000000e-04 -1.8328000000e-03 -7.8530000000e-04 -5.0341000000e-03  2.6074000000e-03 -1.6045000000e-03  1.1224000000e-03 -3.2293000000e-03  1.9083000000e-03  3.3325000000e-03  9.6900000000e-04
+
+JOB 38
+COORDS  6.4156600000e-01  4.5549900000e-01  1.6000800000e+00  2.1144100000e-01 -3.0960500000e-01  1.2181910000e+00  1.4369310000e+00  1.0741700000e-01  2.0031500000e+00 -6.1578300000e-01 -4.1744300000e-01 -1.6160330000e+00 -1.1486790000e+00 -4.9968100000e-01 -8.2515400000e-01 -1.0776200000e+00  2.2852600000e-01 -2.1505070000e+00
+ENERGY -1.526533607077e+02
+FORCES  3.0671000000e-03 -4.8645000000e-03 -1.3020000000e-03 -8.8940000000e-04  2.9956000000e-03  2.0898000000e-03 -3.2951000000e-03  1.6190000000e-03 -1.2984000000e-03 -4.2852000000e-03  4.3756000000e-03  2.5740000000e-04  3.6863000000e-03 -9.3970000000e-04 -1.4995000000e-03  1.7163000000e-03 -3.1861000000e-03  1.7527000000e-03
+
+JOB 39
+COORDS  1.3657070000e+00 -8.5253900000e-01 -7.1561500000e-01  1.3278820000e+00 -8.0454500000e-01 -1.6708620000e+00  2.2109610000e+00 -4.6462800000e-01 -4.8911600000e-01 -1.3815620000e+00  8.7346800000e-01  7.9209900000e-01 -1.0122600000e+00  3.6811800000e-01  6.7897000000e-02 -2.2779360000e+00  5.4902500000e-01  8.7859600000e-01
+ENERGY -1.526571549726e+02
+FORCES  6.0673000000e-03  1.3426000000e-03 -2.1646000000e-03 -8.7990000000e-04  1.8660000000e-04  4.4073000000e-03 -3.3280000000e-03 -2.1229000000e-03 -1.7085000000e-03 -1.1940000000e-04 -4.5912000000e-03 -2.6506000000e-03 -5.1027000000e-03  3.9701000000e-03  2.6150000000e-03  3.3628000000e-03  1.2149000000e-03 -4.9870000000e-04
+
+JOB 40
+COORDS  1.0816010000e+00  1.1566520000e+00 -7.6829200000e-01  1.0746340000e+00  1.9965140000e+00 -3.0914700000e-01  2.0054090000e+00  9.0801600000e-01 -7.9978200000e-01 -1.1658340000e+00 -1.2418220000e+00  7.2103700000e-01 -3.0462100000e-01 -1.1865910000e+00  1.1351540000e+00 -1.4721830000e+00 -3.3578500000e-01  6.8258200000e-01
+ENERGY -1.526549280519e+02
+FORCES  4.7600000000e-03  2.6387000000e-03 -1.3700000000e-05 -6.5630000000e-04 -4.1598000000e-03 -1.3773000000e-03 -4.0490000000e-03  1.0935000000e-03  6.0680000000e-04  4.0298000000e-03  5.6978000000e-03 -7.1060000000e-04 -3.5555000000e-03 -1.5260000000e-03 -4.7500000000e-05 -5.2890000000e-04 -3.7443000000e-03  1.5423000000e-03
+
+JOB 41
+COORDS  1.4943660000e+00  9.0082800000e-01 -5.8519000000e-01  1.2908880000e+00  1.6321280000e+00 -1.1683100000e+00  6.5926900000e-01  4.4800300000e-01 -4.6773800000e-01 -1.4357100000e+00 -9.0199300000e-01  6.7327500000e-01 -1.5787240000e+00 -3.1617300000e-01 -7.0091000000e-02 -1.1742950000e+00 -1.7331660000e+00  2.7698600000e-01
+ENERGY -1.526540378778e+02
+FORCES -3.9603000000e-03  9.7680000000e-04 -1.0170000000e-04  2.8730000000e-04 -3.3522000000e-03  2.3862000000e-03  3.0439000000e-03  2.6205000000e-03 -3.6680000000e-03 -2.3181000000e-03 -3.0955000000e-03 -3.3407000000e-03  3.8243000000e-03 -1.7546000000e-03  3.1394000000e-03 -8.7700000000e-04  4.6051000000e-03  1.5847000000e-03
+
+JOB 42
+COORDS -1.3706110000e+00  3.2766600000e-01  1.2009040000e+00 -1.3593230000e+00 -4.1238800000e-01  5.9392400000e-01 -8.7479000000e-01  2.2480000000e-02  1.9606770000e+00  1.2887520000e+00 -2.4057800000e-01 -1.1767990000e+00  1.3133490000e+00 -9.2473500000e-01 -1.8457960000e+00  2.1711470000e+00  1.3036400000e-01 -1.1803300000e+00
+ENERGY -1.526545862591e+02
+FORCES  4.3674000000e-03 -4.2763000000e-03 -1.3407000000e-03 -2.2987000000e-03  2.0791000000e-03  3.3470000000e-03 -2.3846000000e-03  1.2910000000e-03 -2.1529000000e-03  4.5713000000e-03  1.8950000000e-04 -3.0192000000e-03 -7.1990000000e-04  2.6546000000e-03  3.2953000000e-03 -3.5355000000e-03 -1.9379000000e-03 -1.2950000000e-04
+
+JOB 43
+COORDS -1.4046160000e+00 -1.6000400000e-01 -1.2098330000e+00 -2.2509330000e+00 -1.2988300000e-01 -7.6365700000e-01 -7.6647500000e-01  5.1786000000e-02 -5.2854500000e-01  1.3711820000e+00  1.9278100000e-01  1.1113030000e+00  1.2360120000e+00 -1.4747100000e-01  1.9957170000e+00  2.2028990000e+00 -1.8961500000e-01  8.3156600000e-01
+ENERGY -1.526585308926e+02
+FORCES  1.0764000000e-03  1.4926000000e-03  5.3428000000e-03  2.9960000000e-03 -2.5390000000e-04 -1.5191000000e-03 -6.1385000000e-03 -1.2958000000e-03 -4.9167000000e-03  5.2331000000e-03 -3.0679000000e-03  3.2294000000e-03  3.4870000000e-04  1.4485000000e-03 -3.9683000000e-03 -3.5158000000e-03  1.6766000000e-03  1.8319000000e-03
+
+JOB 44
+COORDS  6.1002400000e-01 -1.1276080000e+00  1.2796260000e+00  1.2549490000e+00 -1.5345300000e+00  7.0107800000e-01  8.4224000000e-02 -1.8584660000e+00  1.6046060000e+00 -5.7681300000e-01  1.1959720000e+00 -1.3204590000e+00 -4.2705300000e-01  8.3636600000e-01 -4.4611000000e-01 -1.4431560000e+00  1.5997150000e+00 -1.2687440000e+00
+ENERGY -1.526581963485e+02
+FORCES  1.5710000000e-03 -6.4386000000e-03 -2.0970000000e-04 -3.0581000000e-03  1.7513000000e-03  2.8022000000e-03  2.3009000000e-03  3.1202000000e-03 -1.3684000000e-03 -2.1598000000e-03 -5.8980000000e-04  5.0585000000e-03 -1.7477000000e-03  3.7292000000e-03 -6.0605000000e-03  3.0936000000e-03 -1.5723000000e-03 -2.2220000000e-04
+
+JOB 45
+COORDS  1.0258980000e+00 -1.1446990000e+00  9.6889900000e-01  7.4130500000e-01 -1.8091130000e+00  1.5964280000e+00  1.6714910000e+00 -6.2409400000e-01  1.4468240000e+00 -1.0923630000e+00  1.1574450000e+00 -1.0778870000e+00 -1.2538100000e+00  1.3261180000e+00 -1.4960000000e-01 -1.6454400000e-01  9.2627500000e-01 -1.1219790000e+00
+ENERGY -1.526559174449e+02
+FORCES  1.5119000000e-03 -2.5850000000e-03  5.0321000000e-03  1.5320000000e-03  3.0358000000e-03 -2.3438000000e-03 -3.2502000000e-03 -1.5225000000e-03 -2.4883000000e-03  4.0653000000e-03 -2.6170000000e-03  4.5909000000e-03 -1.9650000000e-04  6.6640000000e-04 -3.6040000000e-03 -3.6625000000e-03  3.0224000000e-03 -1.1869000000e-03
+
+JOB 46
+COORDS  5.9877900000e-01 -1.6493250000e+00  5.3450900000e-01  1.4013550000e+00 -1.9431130000e+00  9.6554500000e-01 -1.0185700000e-01 -1.8951330000e+00  1.1385940000e+00 -5.7035100000e-01  1.6776890000e+00 -5.2730400000e-01 -6.9072900000e-01  9.3531000000e-01 -1.1194310000e+00 -9.2572700000e-01  2.4265520000e+00 -1.0059940000e+00
+ENERGY -1.526549188647e+02
+FORCES  9.7250000000e-04 -1.3159000000e-03  5.2089000000e-03 -3.3269000000e-03  7.3960000000e-04 -1.7069000000e-03  2.7771000000e-03  4.5030000000e-04 -2.8081000000e-03 -1.0881000000e-03 -1.3760000000e-03 -4.4188000000e-03 -8.5740000000e-04  4.5440000000e-03  1.6425000000e-03  1.5227000000e-03 -3.0419000000e-03  2.0825000000e-03
+
+JOB 47
+COORDS  4.3060000000e-03 -1.2679570000e+00 -1.4179970000e+00  3.9338600000e-01 -1.0132440000e+00 -5.8135500000e-01  6.9102400000e-01 -1.0995340000e+00 -2.0631990000e+00 -6.5835000000e-02  1.1821480000e+00  1.3981450000e+00 -4.1430100000e-01  1.9560860000e+00  9.5562600000e-01  5.5125600000e-01  1.5309680000e+00  2.0413830000e+00
+ENERGY -1.526567930847e+02
+FORCES  3.9813000000e-03  2.4695000000e-03  2.4815000000e-03 -6.3950000000e-04 -3.2025000000e-03 -5.5100000000e-03 -2.6274000000e-03 -5.3610000000e-04  2.2961000000e-03 -2.8800000000e-04  5.8582000000e-03  1.4236000000e-03  2.0011000000e-03 -2.9835000000e-03  2.3342000000e-03 -2.4275000000e-03 -1.6055000000e-03 -3.0255000000e-03
+
+JOB 48
+COORDS -1.8693560000e+00 -3.0879800000e-01 -4.0440100000e-01 -1.6281580000e+00 -9.9173500000e-01 -1.0302220000e+00 -1.0388250000e+00  1.0408600000e-01 -1.6780800000e-01  1.8192300000e+00  2.6282000000e-01  4.2783900000e-01  1.7590710000e+00  9.0454300000e-01  1.1355150000e+00  1.7347780000e+00  7.8016000000e-01 -3.7307200000e-01
+ENERGY -1.526560811976e+02
+FORCES  5.6748000000e-03 -2.3092000000e-03 -5.0300000000e-04 -1.4606000000e-03  2.9191000000e-03  1.8793000000e-03 -5.2702000000e-03  1.6130000000e-04 -2.1645000000e-03  2.9181000000e-03  5.0828000000e-03  6.9960000000e-04 -3.7710000000e-04 -2.9116000000e-03 -3.6436000000e-03 -1.4850000000e-03 -2.9424000000e-03  3.7322000000e-03
+
+JOB 49
+COORDS -3.9634500000e-01 -1.5101160000e+00 -9.9334800000e-01 -4.7284900000e-01 -7.8920900000e-01 -1.6183850000e+00 -8.0840800000e-01 -2.2537810000e+00 -1.4331190000e+00  4.3240300000e-01  1.5509100000e+00  1.1026380000e+00 -3.8535900000e-01  1.4277270000e+00  6.2064000000e-01  1.0358590000e+00  9.1529600000e-01  7.1784400000e-01
+ENERGY -1.526553850121e+02
+FORCES -2.5000000000e-03 -2.1232000000e-03 -5.0396000000e-03  5.4530000000e-04 -2.1455000000e-03  3.8151000000e-03  1.7295000000e-03  3.3497000000e-03  1.6490000000e-03 -1.1931000000e-03 -5.1176000000e-03 -2.7989000000e-03  3.2290000000e-03  1.8568000000e-03  1.1247000000e-03 -1.8107000000e-03  4.1799000000e-03  1.2497000000e-03
+
+JOB 50
+COORDS  1.2816630000e+00 -1.3589500000e+00  3.7009600000e-01  1.9422750000e+00 -6.9632600000e-01  5.7197000000e-01  7.6157200000e-01 -1.4309460000e+00  1.1704410000e+00 -1.3510070000e+00  1.3150290000e+00 -4.2046900000e-01 -7.6610700000e-01  2.0472820000e+00 -2.2571400000e-01 -7.8956100000e-01  6.6536300000e-01 -8.4348800000e-01
+ENERGY -1.526564117540e+02
+FORCES  1.0870000000e-03  1.0171000000e-03  5.6309000000e-03 -3.1914000000e-03 -2.2339000000e-03 -1.4068000000e-03  2.7074000000e-03  2.7320000000e-04 -3.6655000000e-03  5.0877000000e-03 -6.9720000000e-04 -1.6567000000e-03 -2.1862000000e-03 -2.7873000000e-03 -3.7500000000e-04 -3.5045000000e-03  4.4281000000e-03  1.4732000000e-03
+
+JOB 51
+COORDS -1.8933360000e+00 -9.4907000000e-02 -4.8698200000e-01 -1.7099330000e+00 -4.4947400000e-01  3.8300500000e-01 -1.5483160000e+00 -7.5194800000e-01 -1.0915400000e+00  1.9063180000e+00  1.1014100000e-01  4.6727600000e-01  1.4104090000e+00  3.7819700000e-01  1.2408730000e+00  1.5726130000e+00  6.6663800000e-01 -2.3641700000e-01
+ENERGY -1.526557381674e+02
+FORCES  1.7151000000e-03 -5.4853000000e-03  8.9990000000e-04 -7.0630000000e-04  2.3055000000e-03 -3.1988000000e-03 -1.6854000000e-03  3.2168000000e-03  2.2268000000e-03 -3.4381000000e-03  4.6375000000e-03 -3.4600000000e-05  1.8335000000e-03 -1.8826000000e-03 -2.7359000000e-03  2.2812000000e-03 -2.7920000000e-03  2.8426000000e-03
+
+JOB 52
+COORDS  7.0118200000e-01 -9.8707600000e-01 -1.5066400000e+00  4.6936900000e-01 -1.7531560000e+00 -2.0316310000e+00  1.3988980000e+00 -1.2948210000e+00 -9.2809200000e-01 -7.2964100000e-01  9.9482100000e-01  1.5502360000e+00  7.3070000000e-03  1.5836940000e+00  1.3878490000e+00 -1.3885330000e+00  1.2513850000e+00  9.0504700000e-01
+ENERGY -1.526546563806e+02
+FORCES  1.6613000000e-03 -4.8263000000e-03  1.2366000000e-03  8.7890000000e-04  3.1790000000e-03  2.0162000000e-03 -2.2489000000e-03  1.3269000000e-03 -3.0200000000e-03  4.1710000000e-04  2.7510000000e-03 -5.0644000000e-03 -2.6775000000e-03 -2.1213000000e-03  1.3868000000e-03  1.9692000000e-03 -3.0930000000e-04  3.4448000000e-03
+
+JOB 53
+COORDS -7.3562400000e-01  1.1081130000e+00  1.4051790000e+00 -7.7650800000e-01  1.1580470000e+00  2.3602010000e+00 -1.6508460000e+00  1.1174540000e+00  1.1249760000e+00  8.2071600000e-01 -1.1035580000e+00 -1.4949350000e+00  8.2810600000e-01 -5.3290300000e-01 -7.2647500000e-01  2.3021900000e-01 -1.8184550000e+00 -1.2573070000e+00
+ENERGY -1.526570071680e+02
+FORCES -4.5755000000e-03  1.5936000000e-03  3.6762000000e-03 -8.5400000000e-05 -2.7390000000e-04 -4.1071000000e-03  3.9953000000e-03 -4.4750000000e-04  1.3966000000e-03 -2.4223000000e-03  4.5260000000e-04  5.2151000000e-03  9.9650000000e-04 -3.6977000000e-03 -4.8589000000e-03  2.0913000000e-03  2.3728000000e-03 -1.3219000000e-03
+
+JOB 54
+COORDS -1.1049730000e+00  1.6356300000e+00  2.8328900000e-01 -1.3762130000e+00  1.8316620000e+00  1.1800790000e+00 -1.4632430000e+00  7.6528100000e-01  1.0902700000e-01  1.1762390000e+00 -1.6230640000e+00 -3.7264400000e-01  6.6734400000e-01 -2.0765590000e+00  2.9936800000e-01  1.0480280000e+00 -6.9339600000e-01 -1.8419700000e-01
+ENERGY -1.526553573993e+02
+FORCES -4.5249000000e-03 -1.1565000000e-03  2.7290000000e-03  1.3509000000e-03 -1.2215000000e-03 -3.9092000000e-03  2.9868000000e-03  3.3859000000e-03  1.4370000000e-03 -1.3304000000e-03  2.6306000000e-03  3.5270000000e-03  1.4129000000e-03  2.0309000000e-03 -2.8699000000e-03  1.0470000000e-04 -5.6693000000e-03 -9.1380000000e-04
+
+JOB 55
+COORDS  5.6955800000e-01  7.8586300000e-01 -1.8106070000e+00  1.4336160000e+00  5.9567800000e-01 -1.4452770000e+00 -4.5762000000e-02  4.5716400000e-01 -1.1551910000e+00 -5.8953200000e-01 -7.1237300000e-01  1.7056710000e+00 -1.2211660000e+00 -1.2615890000e+00  2.1700330000e+00  2.5836000000e-01 -9.5421700000e-01  2.0782610000e+00
+ENERGY -1.526567195813e+02
+FORCES  6.2800000000e-05 -2.4158000000e-03  5.3368000000e-03 -2.7523000000e-03  7.7270000000e-04 -1.6528000000e-03  3.1365000000e-03  2.0451000000e-03 -4.7956000000e-03  2.7900000000e-05 -3.7498000000e-03  4.8824000000e-03  2.9322000000e-03  2.2562000000e-03 -1.7124000000e-03 -3.4071000000e-03  1.0916000000e-03 -2.0584000000e-03
+
+JOB 56
+COORDS  6.9435300000e-01  9.4278700000e-01 -1.6894850000e+00  2.8132600000e-01  2.3915600000e-01 -2.1900290000e+00  1.1983670000e+00  4.9163200000e-01 -1.0122400000e+00 -6.4417600000e-01 -8.9432500000e-01  1.7195810000e+00 -6.7114100000e-01 -7.2279800000e-01  7.7826200000e-01 -1.5617770000e+00 -8.8366900000e-01  1.9918440000e+00
+ENERGY -1.526545512698e+02
+FORCES  2.3473000000e-03 -3.7719000000e-03 -4.2530000000e-04  1.0669000000e-03  2.8682000000e-03  3.1424000000e-03 -3.6518000000e-03  1.4964000000e-03 -3.0327000000e-03 -4.8037000000e-03  1.5814000000e-03 -2.3047000000e-03  1.2566000000e-03 -1.8441000000e-03  3.7103000000e-03  3.7848000000e-03 -3.2990000000e-04 -1.0899000000e-03
+
+JOB 57
+COORDS -1.0174420000e+00 -7.5672500000e-01  1.7110390000e+00 -1.3916690000e+00 -1.4319150000e+00  1.1450860000e+00 -7.6609500000e-01 -5.3707000000e-02  1.1120210000e+00  1.0107220000e+00  6.9603100000e-01 -1.6645240000e+00  8.5641200000e-01  1.4942390000e+00 -2.1697800000e+00  1.4460590000e+00  9.9720900000e-01 -8.6702400000e-01
+ENERGY -1.526555803238e+02
+FORCES -5.6670000000e-04 -2.7700000000e-04 -5.9109000000e-03  1.1027000000e-03  2.4538000000e-03  2.8726000000e-03 -6.6520000000e-04 -2.1710000000e-03  3.8528000000e-03  2.7222000000e-03  4.8133000000e-03 -2.0510000000e-04  5.3680000000e-04 -3.4525000000e-03  2.3816000000e-03 -3.1298000000e-03 -1.3667000000e-03 -2.9910000000e-03
+
+JOB 58
+COORDS  2.0696420000e+00 -1.8391100000e-01 -1.5905700000e-01  2.8092450000e+00 -1.9839100000e-01 -7.6651800000e-01  1.3919410000e+00  3.1253200000e-01 -6.1785600000e-01 -2.0112530000e+00  1.6149300000e-01  2.0857000000e-01 -2.5534830000e+00 -6.1493900000e-01  6.9388000000e-02 -2.6146550000e+00  8.1552800000e-01  5.6123900000e-01
+ENERGY -1.526552191550e+02
+FORCES -1.1261000000e-03  2.1587000000e-03 -4.0360000000e-03 -2.9197000000e-03 -1.7400000000e-05  2.4140000000e-03  4.6554000000e-03 -1.8304000000e-03  1.1953000000e-03 -5.0020000000e-03 -1.0965000000e-03  1.6661000000e-03  1.9448000000e-03  3.4548000000e-03  4.0630000000e-04  2.4476000000e-03 -2.6692000000e-03 -1.6456000000e-03
+
+JOB 59
+COORDS -2.7959100000e-01 -1.4034230000e+00  1.5006820000e+00  2.5694100000e-01 -1.5742560000e+00  7.2661500000e-01 -7.1481000000e-01 -2.2369430000e+00  1.6797360000e+00  2.9605600000e-01  1.4845390000e+00 -1.5250000000e+00  3.0906600000e-01  1.8912900000e+00 -6.5861900000e-01 -1.2002300000e-01  6.3401300000e-01 -1.3845890000e+00
+ENERGY -1.526550545684e+02
+FORCES  6.6510000000e-04 -5.3477000000e-03 -1.1756000000e-03 -3.0996000000e-03  1.7146000000e-03  2.5583000000e-03  1.9313000000e-03  3.5532000000e-03 -8.8780000000e-04 -2.5078000000e-03 -1.1815000000e-03  4.8162000000e-03  3.8770000000e-04 -1.3861000000e-03 -4.0979000000e-03  2.6232000000e-03  2.6475000000e-03 -1.2133000000e-03
+
+JOB 60
+COORDS  2.0662900000e+00  2.8149300000e-01  1.7370700000e-01  1.7059080000e+00 -5.9335300000e-01  3.1862200000e-01  2.9975330000e+00  1.9415900000e-01  3.7715700000e-01 -2.1043880000e+00 -2.4403200000e-01 -1.2729300000e-01 -1.3331970000e+00  1.4511500000e-01 -5.3967600000e-01 -2.6945860000e+00 -4.3674800000e-01 -8.5582500000e-01
+ENERGY -1.526555985720e+02
+FORCES  3.1292000000e-03 -3.9040000000e-03  2.2808000000e-03  1.3853000000e-03  4.0535000000e-03 -1.4003000000e-03 -3.7593000000e-03  1.9700000000e-04 -8.3070000000e-04  6.7800000000e-04  1.8291000000e-03 -4.7213000000e-03 -3.8074000000e-03 -2.8482000000e-03  1.7059000000e-03  2.3742000000e-03  6.7270000000e-04  2.9657000000e-03
+
+JOB 61
+COORDS -1.7116000000e-01 -7.2366800000e-01 -2.0704050000e+00  4.3640700000e-01 -5.8917600000e-01 -1.3430770000e+00 -9.1629400000e-01 -1.5779100000e-01 -1.8684370000e+00  1.5533000000e-01  6.7127900000e-01  1.9458060000e+00 -3.5700400000e-01  6.3110500000e-01  2.7533530000e+00  1.0383750000e+00  9.0346200000e-01  2.2331280000e+00
+ENERGY -1.526561944565e+02
+FORCES -7.4450000000e-04  3.1825000000e-03  5.2257000000e-03 -1.5654000000e-03 -1.0085000000e-03 -4.2694000000e-03  2.5041000000e-03 -2.3214000000e-03 -1.7817000000e-03  1.1876000000e-03  9.0520000000e-04  5.5584000000e-03  2.2863000000e-03  3.6120000000e-04 -3.2648000000e-03 -3.6681000000e-03 -1.1190000000e-03 -1.4682000000e-03
+
+JOB 62
+COORDS -1.9596480000e+00 -5.9967700000e-01 -3.9980400000e-01 -2.7654380000e+00 -1.5777000000e-01 -1.3212600000e-01 -2.1661350000e+00 -9.7843300000e-01 -1.2542850000e+00  1.9989410000e+00  5.9833200000e-01  3.6322500000e-01  1.6030580000e+00  3.2932000000e-02  1.0264230000e+00  2.6612910000e+00  1.0992390000e+00  8.3926900000e-01
+ENERGY -1.526542508453e+02
+FORCES -3.8476000000e-03  7.4680000000e-04 -3.1574000000e-03  3.2382000000e-03 -1.9448000000e-03 -9.0440000000e-04  4.8970000000e-04  1.3578000000e-03  3.6449000000e-03 -7.6800000000e-05 -7.6550000000e-04  4.5674000000e-03  2.8879000000e-03  2.5010000000e-03 -2.1696000000e-03 -2.6914000000e-03 -1.8953000000e-03 -1.9810000000e-03
+
+JOB 63
+COORDS  1.6205220000e+00  4.7413700000e-01  1.3341350000e+00  2.1255020000e+00  9.6090900000e-01  1.9855020000e+00  8.9658500000e-01  9.0713000000e-02  1.8292430000e+00 -1.5714980000e+00 -4.2778200000e-01 -1.3832340000e+00 -1.4070880000e+00 -1.0765970000e+00 -2.0675150000e+00 -2.3945450000e+00 -7.0601300000e-01 -9.8147100000e-01
+ENERGY -1.526534508835e+02
+FORCES -1.7599000000e-03  4.1230000000e-04  4.1153000000e-03 -2.0076000000e-03 -1.9685000000e-03 -2.7326000000e-03  3.4330000000e-03  1.4530000000e-03 -1.1867000000e-03 -2.2065000000e-03 -3.7551000000e-03 -1.7596000000e-03 -9.9510000000e-04  2.6508000000e-03  2.8016000000e-03  3.5362000000e-03  1.2075000000e-03 -1.2380000000e-03
+
+JOB 64
+COORDS  2.6642400000e-01 -1.5337540000e+00 -1.5186560000e+00  1.0191530000e+00 -1.2688640000e+00 -9.9001200000e-01  3.7347700000e-01 -2.4781210000e+00 -1.6324250000e+00 -2.8922400000e-01  1.5940880000e+00  1.5516860000e+00 -5.3069500000e-01  2.1453830000e+00  8.0737600000e-01 -5.2762800000e-01  7.0746500000e-01  1.2809560000e+00
+ENERGY -1.526556310579e+02
+FORCES  4.1197000000e-03 -3.5322000000e-03  7.2250000000e-04 -3.9346000000e-03 -9.6270000000e-04 -1.8381000000e-03 -3.7790000000e-04  3.9829000000e-03  5.3820000000e-04 -2.8827000000e-03 -1.3621000000e-03 -4.4899000000e-03  1.2417000000e-03 -1.9293000000e-03  3.2673000000e-03  1.8337000000e-03  3.8033000000e-03  1.8000000000e-03
+
+JOB 65
+COORDS  1.1896020000e+00 -1.4354450000e+00  1.2832750000e+00  1.0300940000e+00 -1.9022790000e+00  4.6299800000e-01  5.1013800000e-01 -7.6185000000e-01  1.3120930000e+00 -1.0756010000e+00  1.4090910000e+00 -1.2722090000e+00 -1.1985690000e+00  1.7283240000e+00 -3.7822800000e-01 -1.9634900000e+00  1.2694820000e+00 -1.6014430000e+00
+ENERGY -1.526546746247e+02
+FORCES -3.3461000000e-03  1.2438000000e-03 -4.3802000000e-03  7.8170000000e-04  1.2050000000e-03  3.7855000000e-03  2.4767000000e-03 -2.5360000000e-03  9.9630000000e-04 -4.6106000000e-03  2.0530000000e-03  1.3937000000e-03  8.1910000000e-04 -2.3603000000e-03 -3.3489000000e-03  3.8791000000e-03  3.9450000000e-04  1.5537000000e-03
+
+JOB 66
+COORDS  2.1474100000e+00  4.2131000000e-01 -2.1861000000e-02  2.7162120000e+00  7.6435500000e-01  6.6735400000e-01  2.0438200000e+00 -5.0595700000e-01  1.9186200000e-01 -2.1167300000e+00 -4.1208200000e-01 -4.2261000000e-02 -2.9714510000e+00 -7.5245100000e-01 -3.0651900000e-01 -2.3150190000e+00  2.3583600000e-01  6.3384300000e-01
+ENERGY -1.526539868592e+02
+FORCES  1.1518000000e-03 -3.0035000000e-03  3.3311000000e-03 -2.4204000000e-03 -1.2109000000e-03 -2.7214000000e-03  1.3790000000e-03  3.9008000000e-03 -6.3220000000e-04 -4.1166000000e-03  2.0062000000e-03  1.4431000000e-03  3.5697000000e-03  1.3018000000e-03  1.1020000000e-03  4.3640000000e-04 -2.9945000000e-03 -2.5225000000e-03
+
+JOB 67
+COORDS -1.1991530000e+00  1.5592170000e+00  1.0606600000e+00 -3.6467400000e-01  2.0281010000e+00  1.0656750000e+00 -1.0238440000e+00  7.5212500000e-01  1.5445000000e+00  1.1226810000e+00 -1.5298400000e+00 -1.0198510000e+00  1.9215280000e+00 -1.2109820000e+00 -1.4398550000e+00  6.9135500000e-01 -2.0562690000e+00 -1.6929500000e+00
+ENERGY -1.526547653967e+02
+FORCES  4.7985000000e-03 -2.5512000000e-03  1.2456000000e-03 -3.3936000000e-03 -1.1900000000e-03  2.1150000000e-04 -1.3265000000e-03  3.8338000000e-03 -1.0924000000e-03  1.0443000000e-03 -8.0590000000e-04 -5.0624000000e-03 -3.1546000000e-03 -1.2274000000e-03  1.9111000000e-03  2.0318000000e-03  1.9406000000e-03  2.7866000000e-03
+
+JOB 68
+COORDS -2.2302040000e+00 -3.0289000000e-02  4.9350100000e-01 -1.4168060000e+00  3.6807300000e-01  8.0321500000e-01 -2.1641000000e+00  1.2300000000e-04 -4.6092900000e-01  2.1194710000e+00  2.4435000000e-02 -4.0527500000e-01  2.9645840000e+00  4.6136500000e-01 -5.1066800000e-01  2.1518140000e+00 -7.1135000000e-01 -1.0166720000e+00
+ENERGY -1.526557782122e+02
+FORCES  4.6905000000e-03  1.9340000000e-03 -2.5333000000e-03 -4.5336000000e-03 -1.4654000000e-03 -8.3500000000e-04 -8.3900000000e-04 -3.7310000000e-04  3.5012000000e-03  4.4878000000e-03 -1.5104000000e-03 -2.8317000000e-03 -3.5193000000e-03 -1.8884000000e-03  3.2980000000e-04 -2.8640000000e-04  3.3033000000e-03  2.3690000000e-03
+
+JOB 69
+COORDS -2.0079300000e+00 -1.6722500000e-01 -9.2178700000e-01 -2.1493260000e+00  7.7492700000e-01 -1.0144630000e+00 -2.5611290000e+00 -5.6046100000e-01 -1.5967440000e+00  2.0855790000e+00  1.4968500000e-01  9.3743700000e-01  1.8276330000e+00  5.6301400000e-01  1.7613640000e+00  1.5055200000e+00 -6.0746200000e-01  8.5686100000e-01
+ENERGY -1.526551683802e+02
+FORCES -2.7659000000e-03  2.5972000000e-03 -3.6224000000e-03  2.0640000000e-04 -3.9668000000e-03  5.0910000000e-04  2.2142000000e-03  1.6082000000e-03  2.8081000000e-03 -4.3097000000e-03 -1.7445000000e-03  2.4938000000e-03  1.2484000000e-03 -1.3983000000e-03 -3.1411000000e-03  3.4066000000e-03  2.9042000000e-03  9.5260000000e-04
+
+JOB 70
+COORDS  9.1297000000e-02  2.3314890000e+00 -2.0491700000e-01 -1.4723600000e-01  1.7016510000e+00  4.7525800000e-01 -2.5024300000e-01  1.9514530000e+00 -1.0143340000e+00  9.0600000000e-03 -2.2622250000e+00  2.5079500000e-01 -3.7034100000e-01 -1.7804360000e+00 -4.8416500000e-01 -6.5145900000e-01 -2.9178890000e+00  4.7451600000e-01
+ENERGY -1.526539661858e+02
+FORCES -1.8303000000e-03 -4.1217000000e-03  3.6900000000e-05  4.8650000000e-04  3.0139000000e-03 -3.3751000000e-03  1.1805000000e-03  1.1621000000e-03  3.1953000000e-03 -3.9901000000e-03 -1.9415000000e-03 -2.2831000000e-03  1.3815000000e-03 -1.0647000000e-03  3.3959000000e-03  2.7719000000e-03  2.9518000000e-03 -9.7000000000e-04
+
+JOB 71
+COORDS -6.1923100000e-01  2.0076840000e+00 -8.9469100000e-01 -7.1562200000e-01  2.5638240000e+00 -1.2161300000e-01 -9.2948900000e-01  2.5494580000e+00 -1.6202620000e+00  6.3931300000e-01 -2.0776620000e+00  9.5884100000e-01  1.9706700000e-01 -1.4470590000e+00  3.9051800000e-01  1.1489840000e+00 -2.6238520000e+00  3.6039000000e-01
+ENERGY -1.526557551614e+02
+FORCES -1.6906000000e-03  5.1550000000e-03  1.5320000000e-04  2.9080000000e-04 -2.3151000000e-03 -3.3684000000e-03  1.2779000000e-03 -2.1600000000e-03  3.0238000000e-03  1.1910000000e-04  1.1310000000e-03 -5.1512000000e-03  1.9432000000e-03 -3.7049000000e-03  2.9101000000e-03 -1.9404000000e-03  1.8940000000e-03  2.4326000000e-03
+
+JOB 72
+COORDS  2.1969440000e+00 -4.0130000000e-01  9.5764100000e-01  1.3115000000e+00 -7.1950200000e-01  7.8166700000e-01  2.5070500000e+00 -7.5108000000e-02  1.1285400000e-01 -2.1483230000e+00  3.5296100000e-01 -9.4555900000e-01 -1.5847690000e+00  1.0261050000e+00 -5.6409500000e-01 -3.0161450000e+00  5.3351000000e-01 -5.8428500000e-01
+ENERGY -1.526549594501e+02
+FORCES -2.2109000000e-03 -8.5460000000e-04 -4.4181000000e-03  3.9108000000e-03  2.0109000000e-03  1.1060000000e-03 -1.3141000000e-03 -9.5370000000e-04  3.5940000000e-03 -2.2545000000e-03  3.9429000000e-03  2.8196000000e-03 -1.7969000000e-03 -3.4327000000e-03 -1.5767000000e-03  3.6655000000e-03 -7.1280000000e-04 -1.5247000000e-03
+
+JOB 73
+COORDS -2.1362150000e+00 -2.4521300000e-01  1.1117190000e+00 -1.4769170000e+00  2.5626600000e-01  6.3205400000e-01 -1.8861180000e+00 -1.5277100000e-01  2.0310320000e+00  2.1276320000e+00  2.4083200000e-01 -1.1295010000e+00  1.2066880000e+00  5.0147000000e-01 -1.1422490000e+00  2.1092560000e+00 -7.1053900000e-01 -1.2333580000e+00
+ENERGY -1.526536748968e+02
+FORCES  3.4331000000e-03  2.6738000000e-03  2.6571000000e-03 -2.2349000000e-03 -2.3361000000e-03  9.9430000000e-04 -1.1590000000e-03 -4.5460000000e-04 -3.9658000000e-03 -3.3574000000e-03 -3.2903000000e-03 -1.2859000000e-03  3.2270000000e-03 -8.0380000000e-04  1.0323000000e-03  9.1200000000e-05  4.2110000000e-03  5.6800000000e-04
+
+JOB 74
+COORDS -1.8485400000e-01  5.5786300000e-01 -2.4117120000e+00  3.1320400000e-01  6.3952600000e-01 -1.5983850000e+00 -1.0916620000e+00  4.4350000000e-01 -2.1273650000e+00  2.1673000000e-01 -5.7489300000e-01  2.2727820000e+00 -3.0651800000e-01 -1.0219330000e+00  2.9380620000e+00  6.2082000000e-01  1.5780100000e-01  2.7376500000e+00
+ENERGY -1.526553111750e+02
+FORCES -1.5534000000e-03 -7.8260000000e-04  5.2774000000e-03 -1.7629000000e-03  4.0500000000e-04 -4.0253000000e-03  3.3128000000e-03  7.0060000000e-04 -1.6321000000e-03 -3.8600000000e-04  5.8420000000e-04  5.3321000000e-03  2.1539000000e-03  1.9978000000e-03 -2.7079000000e-03 -1.7644000000e-03 -2.9050000000e-03 -2.2442000000e-03
+
+JOB 75
+COORDS  1.6220990000e+00 -5.6505200000e-01  1.9219820000e+00  1.3483870000e+00  1.3670700000e-01  1.3313480000e+00  1.7505090000e+00 -1.3201600000e-01  2.7659140000e+00 -1.6197060000e+00  4.6294000000e-01 -1.8921600000e+00 -8.5696900000e-01  6.4229800000e-01 -2.4419740000e+00 -2.2743030000e+00  1.1019220000e+00 -2.1740060000e+00
+ENERGY -1.526542241525e+02
+FORCES -1.3318000000e-03  4.5452000000e-03  8.0150000000e-04  1.9195000000e-03 -2.6761000000e-03  2.5710000000e-03 -3.9800000000e-04 -1.7412000000e-03 -3.3598000000e-03  5.8000000000e-06  2.9468000000e-03 -3.8888000000e-03 -2.9911000000e-03 -4.9900000000e-04  2.6405000000e-03  2.7955000000e-03 -2.5757000000e-03  1.2356000000e-03
+
+JOB 76
+COORDS -8.3597300000e-01  2.4809780000e+00  1.6651700000e-01 -1.3210120000e+00  2.6742290000e+00  9.6877800000e-01 -1.4094350000e+00  1.8928190000e+00 -3.2485100000e-01  8.7952000000e-01 -2.5253560000e+00 -1.7061700000e-01  8.6835800000e-01 -1.7802210000e+00  4.3011700000e-01  1.1567430000e+00 -2.1541900000e+00 -1.0082420000e+00
+ENERGY -1.526548083366e+02
+FORCES -4.8446000000e-03 -9.3550000000e-04  1.2398000000e-03  2.1080000000e-03 -9.3720000000e-04 -3.3121000000e-03  2.7649000000e-03  2.1907000000e-03  2.0919000000e-03  1.5827000000e-03  4.7714000000e-03 -8.6560000000e-04 -2.6530000000e-04 -3.4140000000e-03 -2.4337000000e-03 -1.3457000000e-03 -1.6755000000e-03  3.2797000000e-03
+
+JOB 77
+COORDS  3.1830800000e-01  1.2895360000e+00 -2.4533210000e+00  9.7653000000e-02  8.6878200000e-01 -1.6223530000e+00 -2.8744200000e-01  2.0279670000e+00 -2.5167170000e+00 -2.7556500000e-01 -1.3057640000e+00  2.4729550000e+00 -5.1874100000e-01 -6.3135100000e-01  1.8387120000e+00  7.2005000000e-02 -2.0214900000e+00  1.9408240000e+00
+ENERGY -1.526532846222e+02
+FORCES -3.3343000000e-03  1.7301000000e-03  2.7707000000e-03  7.9320000000e-04  1.3187000000e-03 -2.9359000000e-03  2.5219000000e-03 -3.2122000000e-03  3.7820000000e-04  5.4040000000e-04 -5.5940000000e-04 -4.3916000000e-03  1.0347000000e-03 -2.5070000000e-03  2.0853000000e-03 -1.5559000000e-03  3.2299000000e-03  2.0932000000e-03
+
+JOB 78
+COORDS  8.5306300000e-01  2.2720190000e+00 -1.5275740000e+00  1.3812850000e+00  3.0682310000e+00 -1.5846760000e+00  8.3866000000e-01  2.0599990000e+00 -5.9426200000e-01 -8.8486000000e-01 -2.2723150000e+00  1.4241190000e+00 -1.1676410000e+00 -1.9705570000e+00  2.2873740000e+00 -5.9178800000e-01 -3.1720310000e+00  1.5685220000e+00
+ENERGY -1.526540147903e+02
+FORCES  1.9199000000e-03  1.8779000000e-03  3.7331000000e-03 -2.1316000000e-03 -3.1958000000e-03  2.0500000000e-04  2.3470000000e-04  1.4086000000e-03 -3.8226000000e-03 -1.1860000000e-04 -2.7744000000e-03  3.9092000000e-03  1.3018000000e-03 -1.0418000000e-03 -3.5389000000e-03 -1.2062000000e-03  3.7255000000e-03 -4.8590000000e-04
+
+JOB 79
+COORDS  2.1221820000e+00 -1.8043850000e+00 -9.6223400000e-01  1.3144010000e+00 -1.3517050000e+00 -7.1974300000e-01  1.8709690000e+00 -2.3682260000e+00 -1.6938120000e+00 -2.0054980000e+00  1.7762390000e+00  9.9669700000e-01 -2.4533100000e+00  2.3027980000e+00  1.6588390000e+00 -2.5481300000e+00  1.8639190000e+00  2.1305600000e-01
+ENERGY -1.526545290838e+02
+FORCES -4.4902000000e-03 -1.4550000000e-04 -1.6057000000e-03  3.4986000000e-03 -2.2224000000e-03 -1.4159000000e-03  1.0330000000e-03  2.2353000000e-03  2.8601000000e-03 -4.1200000000e-03  2.8843000000e-03 -1.3570000000e-04  1.7404000000e-03 -2.1591000000e-03 -2.8032000000e-03  2.3383000000e-03 -5.9260000000e-04  3.1003000000e-03
+
+JOB 80
+COORDS  1.6276180000e+00 -1.9155430000e+00  1.6388970000e+00  2.1679710000e+00 -1.6753530000e+00  8.8619500000e-01  1.1238090000e+00 -1.1255150000e+00  1.8345090000e+00 -1.5956540000e+00  1.9056910000e+00 -1.5865760000e+00 -2.1315950000e+00  1.9632480000e+00 -2.3775790000e+00 -1.7754950000e+00  1.0326060000e+00 -1.2378450000e+00
+ENERGY -1.526544094114e+02
+FORCES  5.2200000000e-04  4.4174000000e-03 -2.1053000000e-03 -2.3260000000e-03 -1.1413000000e-03  3.0383000000e-03  1.7904000000e-03 -3.4319000000e-03 -8.9980000000e-04 -3.2844000000e-03 -3.1934000000e-03 -2.0785000000e-03  2.2238000000e-03 -2.5290000000e-04  3.2611000000e-03  1.0741000000e-03  3.6021000000e-03 -1.2157000000e-03
+
+JOB 81
+COORDS -8.9454500000e-01 -2.9567100000e-01  2.8102800000e+00 -5.7852400000e-01 -4.3669800000e-01  3.7027340000e+00 -4.3239700000e-01 -9.4963500000e-01  2.2858930000e+00  8.4710400000e-01  3.3269800000e-01 -2.8974540000e+00  2.0835600000e-01  1.9926300000e-01 -2.1971480000e+00  1.6556070000e+00  5.6931300000e-01 -2.4429580000e+00
+ENERGY -1.526541610820e+02
+FORCES  2.9628000000e-03 -3.4085000000e-03  2.0584000000e-03 -1.2514000000e-03  5.7690000000e-04 -3.7481000000e-03 -1.7845000000e-03  2.9656000000e-03  1.7225000000e-03  4.8080000000e-04  8.3750000000e-04  4.6869000000e-03  2.8130000000e-03  1.9490000000e-04 -2.8813000000e-03 -3.2208000000e-03 -1.1664000000e-03 -1.8385000000e-03
+
+JOB 82
+COORDS -2.7646510000e+00 -1.3717980000e+00  1.3204800000e-01 -2.8300210000e+00 -5.1438100000e-01  5.5251800000e-01 -1.9033050000e+00 -1.7003690000e+00  3.8964500000e-01  2.7023290000e+00  1.4047790000e+00 -1.7065500000e-01  3.4040710000e+00  1.0119760000e+00 -6.8978500000e-01  2.3583710000e+00  6.8178900000e-01  3.5395000000e-01
+ENERGY -1.526538271303e+02
+FORCES  3.0622000000e-03  2.3696000000e-03  2.6535000000e-03  3.2640000000e-04 -3.6737000000e-03 -1.6288000000e-03 -3.2979000000e-03  1.3011000000e-03 -1.0029000000e-03  1.7817000000e-03 -4.4597000000e-03 -2.0110000000e-04 -2.9253000000e-03  1.5848000000e-03  2.2226000000e-03  1.0529000000e-03  2.8780000000e-03 -2.0433000000e-03
+
+JOB 83
+COORDS -1.3244000000e-02  1.1039530000e+00  2.8264480000e+00 -7.8257800000e-01  1.3175220000e+00  3.3544130000e+00  3.5861700000e-01  1.9535570000e+00  2.5895410000e+00  6.2090000000e-03 -1.2051220000e+00 -2.8955740000e+00 -1.9516900000e-01 -3.6118200000e-01 -2.4912930000e+00  7.8851300000e-01 -1.5106360000e+00 -2.4363420000e+00
+ENERGY -1.526544370674e+02
+FORCES -1.7431000000e-03  4.3357000000e-03  1.6506000000e-03  3.2028000000e-03 -8.1400000000e-04 -2.2262000000e-03 -1.5083000000e-03 -3.5673000000e-03  7.0080000000e-04  2.2929000000e-03  2.0878000000e-03  3.9918000000e-03  8.1450000000e-04 -3.2622000000e-03 -1.9761000000e-03 -3.0586000000e-03  1.2200000000e-03 -2.1409000000e-03
+
+JOB 84
+COORDS -8.2617800000e-01 -9.7852600000e-01 -2.9664900000e+00 -6.8303200000e-01 -1.7954670000e+00 -2.4886330000e+00 -1.3999480000e+00 -1.2226710000e+00 -3.6927220000e+00  7.9288000000e-01  1.0035560000e+00  2.9876410000e+00  1.6245890000e+00  7.2943700000e-01  2.6011820000e+00  9.3649600000e-01  1.9141970000e+00  3.2452050000e+00
+ENERGY -1.526540586819e+02
+FORCES -1.9336000000e-03 -4.3047000000e-03 -7.7070000000e-04 -4.5510000000e-04  3.2739000000e-03 -2.1100000000e-03  2.3699000000e-03  1.0020000000e-03  2.9024000000e-03  3.8949000000e-03  2.7452000000e-03 -8.5300000000e-04 -3.3251000000e-03  1.0027000000e-03  1.7436000000e-03 -5.5100000000e-04 -3.7191000000e-03 -9.1230000000e-04
+
+JOB 85
+COORDS  2.7669820000e+00 -1.8654730000e+00 -9.6395400000e-01  2.7656330000e+00 -2.1979770000e+00 -1.8615460000e+00  2.6859410000e+00 -9.1650200000e-01 -1.0594450000e+00 -2.7587440000e+00  1.8957850000e+00  1.0103240000e+00 -2.7731690000e+00  1.3932220000e+00  1.8248510000e+00 -2.8124770000e+00  1.2351520000e+00  3.1973800000e-01
+ENERGY -1.526542915265e+02
+FORCES -9.5700000000e-05  2.5958000000e-03 -4.0636000000e-03 -8.7800000000e-05  1.3390000000e-03  3.6782000000e-03  2.2710000000e-04 -3.9795000000e-03  3.7430000000e-04 -3.3180000000e-04 -4.8549000000e-03  6.5090000000e-04  2.2800000000e-05  2.1164000000e-03 -3.3439000000e-03  2.6530000000e-04  2.7831000000e-03  2.7041000000e-03
+
+JOB 86
+COORDS  4.1666900000e-01  3.7180380000e+00  1.2065300000e-01  9.6325900000e-01  4.4148540000e+00  4.8386000000e-01 -4.6689400000e-01  3.9215190000e+00  4.2748100000e-01 -3.8091900000e-01 -3.8331680000e+00 -1.3729200000e-01 -2.7236100000e-01 -3.4280230000e+00 -9.9770200000e-01 -7.4897800000e-01 -3.1394020000e+00  4.0993100000e-01
+ENERGY -1.526543119005e+02
+FORCES -1.2548000000e-03  3.8609000000e-03  2.7397000000e-03 -2.2748000000e-03 -2.8567000000e-03 -1.4797000000e-03  3.5725000000e-03 -9.6020000000e-04 -1.2613000000e-03 -9.0300000000e-04  4.6822000000e-03 -1.3015000000e-03 -5.1460000000e-04 -1.7856000000e-03  3.4638000000e-03  1.3748000000e-03 -2.9406000000e-03 -2.1609000000e-03
+
+JOB 87
+COORDS -1.1453780000e+00  1.8811350000e+00  3.4097020000e+00 -8.9115900000e-01  2.3675310000e+00  2.6254670000e+00 -1.0148780000e+00  9.6235600000e-01  3.1750800000e+00  1.1460550000e+00 -1.8813620000e+00 -3.3880050000e+00  1.3524510000e+00 -1.0137640000e+00 -3.0402890000e+00  4.1988900000e-01 -2.1904610000e+00 -2.8463660000e+00
+ENERGY -1.526537701157e+02
+FORCES  1.5535000000e-03 -1.6827000000e-03 -3.9850000000e-03 -1.0251000000e-03 -2.0973000000e-03  3.1191000000e-03 -5.2070000000e-04  3.7553000000e-03  8.1410000000e-04 -2.0920000000e-03  2.1942000000e-03  3.4544000000e-03 -9.0770000000e-04 -3.5309000000e-03 -1.2928000000e-03  2.9920000000e-03  1.3615000000e-03 -2.1098000000e-03
+
+JOB 88
+COORDS  3.6687440000e+00  2.3713070000e+00 -1.4540600000e-01  3.9639870000e+00  2.1180020000e+00 -1.0199920000e+00  3.8287420000e+00  1.5978190000e+00  3.9528700000e-01 -3.6628840000e+00 -2.2956880000e+00  2.2688800000e-01 -4.2123460000e+00 -1.7110820000e+00 -2.9518500000e-01 -3.6646570000e+00 -3.1219080000e+00 -2.5642300000e-01
+ENERGY -1.526540743003e+02
+FORCES  1.7435000000e-03 -4.2654000000e-03 -1.2895000000e-03 -1.1759000000e-03  1.0615000000e-03  3.5278000000e-03 -5.5770000000e-04  3.1882000000e-03 -2.2364000000e-03 -2.2954000000e-03 -8.9750000000e-04 -4.0880000000e-03  2.2357000000e-03 -2.4383000000e-03  2.1159000000e-03  4.9700000000e-05  3.3515000000e-03  1.9702000000e-03
+
+JOB 89
+COORDS  8.6487200000e-01 -8.9978700000e-01  4.4522050000e+00  7.4941700000e-01  4.9225000000e-02  4.4999270000e+00  1.4291780000e+00 -1.0349120000e+00  3.6909350000e+00 -9.4939400000e-01  8.5957500000e-01 -4.3850870000e+00 -5.0780200000e-01  1.0405000000e-02 -4.3968140000e+00 -3.2153700000e-01  1.4621020000e+00 -4.7838200000e+00
+ENERGY -1.526540637947e+02
+FORCES  1.7349000000e-03  3.3607000000e-03 -2.9477000000e-03  5.2290000000e-04 -3.8808000000e-03 -1.6400000000e-04 -2.2461000000e-03  5.2030000000e-04  3.1078000000e-03  4.2857000000e-03 -1.0409000000e-03 -1.7876000000e-03 -1.7597000000e-03  3.4961000000e-03  1.0410000000e-04 -2.5377000000e-03 -2.4554000000e-03  1.6873000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1072000000e-02  5.4350000000e-03  9.5695300000e-01 -8.0836300000e-01  4.4158200000e-01 -2.6035700000e-01 -1.5916600000e-01 -2.4531700000e+00 -1.2824940000e+00 -9.5676200000e-01 -2.9274050000e+00 -1.0476040000e+00 -2.7467000000e-01 -1.5841580000e+00 -8.9816700000e-01
+ENERGY -1.526590379395e+02
+FORCES -3.8940000000e-04 -4.5460000000e-04  3.4503000000e-03 -9.7440000000e-04  7.1160000000e-04 -5.1318000000e-03  3.7092000000e-03 -5.8133000000e-03  9.0170000000e-04  9.5800000000e-05  1.0423100000e-02  7.0457000000e-03  2.1801000000e-03  2.9679000000e-03  1.9320000000e-04 -4.6213000000e-03 -7.8346000000e-03 -6.4591000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1057000000e-02 -6.5277000000e-02 -9.5490800000e-01  7.6690100000e-01 -4.9773600000e-01  2.8346800000e-01  2.0020790000e+00 -1.4819810000e+00  1.0659470000e+00  1.8608250000e+00 -1.5690290000e+00  2.0086570000e+00  2.7846180000e+00 -9.3600600000e-01  9.8994000000e-01
+ENERGY -1.526603820547e+02
+FORCES  1.0845000000e-02 -1.0184700000e-02  4.2425000000e-03  1.6711000000e-03 -3.5330000000e-04  3.0278000000e-03 -5.8897000000e-03  8.2666000000e-03 -4.7549000000e-03 -2.5994000000e-03  3.1405000000e-03  2.8576000000e-03  1.8549000000e-03  1.0096000000e-03 -5.1091000000e-03 -5.8818000000e-03 -1.8788000000e-03 -2.6380000000e-04
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2766200000e-01  5.3770900000e-01 -3.1242300000e-01  1.4300600000e-01 -7.2433000000e-02  9.4368100000e-01  1.6812600000e-01 -1.1507800000e-01  2.7788000000e+00  8.5339800000e-01  4.3507500000e-01  3.1582300000e+00  1.3169800000e-01 -8.8172900000e-01  3.3507700000e+00
+ENERGY -1.526604230958e+02
+FORCES  1.9585000000e-03  1.4570000000e-04  1.1936300000e-02 -1.7707000000e-03 -1.3062000000e-03  2.2842000000e-03  8.4110000000e-04  1.4399000000e-03 -1.0287300000e-02  1.0464000000e-03 -1.5970000000e-03  3.1710000000e-04 -3.0012000000e-03 -3.3469000000e-03 -2.5030000000e-03  9.2580000000e-04  4.6646000000e-03 -1.7473000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7734200000e-01  4.5648400000e-01 -3.2185900000e-01 -8.9033000000e-02 -8.9181900000e-01 -3.3610000000e-01 -2.0499370000e+00  1.2310460000e+00 -1.0319190000e+00 -2.8325830000e+00  8.4580700000e-01 -6.3785400000e-01 -2.0921470000e+00  2.1570880000e+00 -7.9339000000e-01
+ENERGY -1.526578483627e+02
+FORCES -1.6420400000e-02  9.1526000000e-03 -1.0757900000e-02  5.6677000000e-03 -4.8534000000e-03  6.1123000000e-03 -1.5896000000e-03  2.6089000000e-03  7.6970000000e-04  6.5383000000e-03 -2.5123000000e-03  5.6072000000e-03  6.0101000000e-03  1.6130000000e-03 -1.3299000000e-03 -2.0610000000e-04 -6.0089000000e-03 -4.0140000000e-04
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4608000000e-01 -4.7944000000e-02 -9.4477200000e-01 -8.8507200000e-01 -3.4289800000e-01  1.2369600000e-01  2.1959510000e+00 -1.2673510000e+00  1.3677470000e+00  1.3725360000e+00 -8.3142300000e-01  1.1482310000e+00  2.8674480000e+00 -7.4955800000e-01  9.2366000000e-01
+ENERGY -1.526606486198e+02
+FORCES -9.9740000000e-04 -2.7737000000e-03 -3.9289000000e-03 -1.3562000000e-03  6.6310000000e-04  4.4050000000e-03  4.7066000000e-03  1.3071000000e-03 -8.3160000000e-04 -6.8713000000e-03  7.4391000000e-03 -6.1548000000e-03  6.0323000000e-03 -4.7016000000e-03  5.7124000000e-03 -1.5140000000e-03 -1.9339000000e-03  7.9790000000e-04
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4546600000e-01 -8.9307200000e-01 -3.1224000000e-01  9.7083000000e-02 -5.9257000000e-02  9.5041900000e-01 -2.0906230000e+00  1.3024250000e+00 -9.2486200000e-01 -1.3375160000e+00  8.3156900000e-01 -5.6799300000e-01 -1.8277240000e+00  1.5360570000e+00 -1.8151040000e+00
+ENERGY -1.526594007511e+02
+FORCES -8.1080000000e-03  2.0160000000e-03 -1.7669000000e-03 -3.2810000000e-04  4.7102000000e-03  2.4352000000e-03 -6.1280000000e-04 -9.1280000000e-04 -5.4743000000e-03  1.6318500000e-02 -8.5008000000e-03  5.1621000000e-03 -7.3923000000e-03  4.4250000000e-03 -2.6089000000e-03  1.2260000000e-04 -1.7376000000e-03  2.2529000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0036000000e-02  9.5410000000e-03  9.5526800000e-01 -6.5976000000e-02 -9.2753500000e-01 -2.2706200000e-01 -1.0257400000e-01 -2.5040890000e+00 -1.1507390000e+00 -9.1630000000e-02 -2.6000660000e+00 -2.1030520000e+00 -6.4302800000e-01 -3.2314700000e+00 -8.4242400000e-01
+ENERGY -1.526607197881e+02
+FORCES  1.6020000000e-04 -1.1219800000e-02 -3.5460000000e-03 -6.2860000000e-04 -1.7788000000e-03 -3.0148000000e-03 -5.2700000000e-05  8.4155000000e-03  6.0127000000e-03 -1.3838000000e-03  2.5952000000e-03 -2.4491000000e-03 -7.4510000000e-04 -1.6520000000e-03  4.7021000000e-03  2.6499000000e-03  3.6399000000e-03 -1.7048000000e-03
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0721800000e-01 -4.1912400000e-01 -4.9031700000e-01  7.8284900000e-01 -4.9828300000e-01 -2.3471900000e-01  2.2319790000e+00 -1.1268560000e+00 -1.0651540000e+00  2.1490180000e+00 -2.0061360000e+00 -6.9608100000e-01  2.9488290000e+00 -7.2666300000e-01 -5.7301300000e-01
+ENERGY -1.526580243261e+02
+FORCES  1.1771300000e-02 -6.7013000000e-03 -9.7433000000e-03  2.5649000000e-03  1.8130000000e-04  1.5076000000e-03 -6.8472000000e-03  6.3020000000e-04  7.9881000000e-03  8.9190000000e-04  1.4200000000e-03  2.4021000000e-03 -2.8217000000e-03  7.1068000000e-03 -4.4240000000e-04 -5.5592000000e-03 -2.6370000000e-03 -1.7120000000e-03
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5648100000e-01  2.0781300000e-01  5.4843600000e-01  7.2664300000e-01  4.7473200000e-01  4.0354800000e-01  2.2348520000e+00  1.2688450000e+00  1.1658730000e+00  2.9840030000e+00  9.1004400000e-01  6.9020000000e-01  2.1758520000e+00  2.1774300000e+00  8.7053400000e-01
+ENERGY -1.526613655289e+02
+FORCES  8.1840000000e-03  5.4537000000e-03  8.0547000000e-03  2.6485000000e-03  2.8350000000e-04 -1.4502000000e-03 -8.4679000000e-03 -3.5199000000e-03 -6.6353000000e-03  3.2099000000e-03  1.0169000000e-03 -2.8119000000e-03 -4.7315000000e-03  2.4727000000e-03  1.9819000000e-03 -8.4300000000e-04 -5.7069000000e-03  8.6090000000e-04
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9468000000e-02  8.8724800000e-01 -3.5029600000e-01 -7.9960700000e-01 -4.4276600000e-01 -2.8428700000e-01 -2.2585510000e+00 -1.3081390000e+00 -1.0871810000e+00 -2.1379920000e+00 -1.3783690000e+00 -2.0341580000e+00 -3.0852000000e+00 -8.3654000000e-01 -9.8481800000e-01
+ENERGY -1.526608511910e+02
+FORCES -1.0486400000e-02 -3.8949000000e-03 -5.2111000000e-03 -4.2570000000e-04 -2.7656000000e-03  5.5510000000e-04  8.3422000000e-03  5.7354000000e-03  3.8910000000e-03 -1.1683000000e-03  1.1199000000e-03 -3.0937000000e-03 -1.2705000000e-03  1.3854000000e-03  5.0379000000e-03  5.0087000000e-03 -1.5802000000e-03 -1.1792000000e-03
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8042300000e-01 -1.8764000000e-02  9.3985500000e-01  3.0739200000e-01 -8.4800600000e-01 -3.2035700000e-01 -2.5168570000e+00  1.0626380000e+00 -1.0165380000e+00 -2.4782040000e+00  2.0056350000e+00 -8.5686800000e-01 -1.6699010000e+00  7.3338500000e-01 -7.1572400000e-01
+ENERGY -1.526619334538e+02
+FORCES  9.2200000000e-04 -3.5012000000e-03  2.3900000000e-03 -1.2570000000e-04 -3.9630000000e-04 -4.6373000000e-03 -1.1459000000e-03  3.9837000000e-03  2.4989000000e-03  9.2743000000e-03 -8.8050000000e-04  3.6478000000e-03  5.9100000000e-05 -2.8671000000e-03  7.7100000000e-05 -8.9838000000e-03  3.6615000000e-03 -3.9766000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7616100000e-01 -2.8814200000e-01 -2.5602200000e-01  9.5783000000e-02  8.6331700000e-01 -4.0217000000e-01 -2.1658010000e+00 -1.1345410000e+00 -8.3751700000e-01 -2.9251350000e+00 -6.3840300000e-01 -5.3175300000e-01 -2.2706370000e+00 -2.0006740000e+00 -4.4374900000e-01
+ENERGY -1.526571267597e+02
+FORCES -1.7202000000e-02 -9.1953000000e-03 -8.8100000000e-03  5.4064000000e-03  6.7071000000e-03  5.0984000000e-03 -2.8545000000e-03 -2.7008000000e-03  5.4620000000e-04  8.5406000000e-03  1.1805000000e-03  5.4973000000e-03  6.7265000000e-03 -1.5577000000e-03 -5.0750000000e-04 -6.1700000000e-04  5.5662000000e-03 -1.8244000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6666400000e-01  4.6376400000e-01 -5.0666900000e-01  8.3190500000e-01  3.0386900000e-01 -3.6308200000e-01 -2.2226600000e+00  1.3777930000e+00 -8.0939400000e-01 -3.0603540000e+00  9.4304700000e-01 -6.4971400000e-01 -2.3081180000e+00  2.2287460000e+00 -3.7950000000e-01
+ENERGY -1.526608162993e+02
+FORCES -9.2514000000e-03  6.6074000000e-03 -5.2351000000e-03  9.0988000000e-03 -4.9770000000e-03  1.9227000000e-03 -3.6347000000e-03  5.8760000000e-04  6.5480000000e-04  8.0880000000e-04 -1.5097000000e-03  5.5642000000e-03  3.5330000000e-03  3.2855000000e-03 -4.8980000000e-04 -5.5450000000e-04 -3.9939000000e-03 -2.4168000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5037200000e-01  9.4151800000e-01 -8.4638000000e-02 -8.1083500000e-01 -4.0155900000e-01 -3.1229600000e-01  2.3382510000e+00 -1.3811950000e+00 -6.3142600000e-01  1.5618370000e+00 -8.8996400000e-01 -3.6290300000e-01  2.2525400000e+00 -2.2259040000e+00 -1.8943900000e-01
+ENERGY -1.526612863113e+02
+FORCES  2.1540000000e-04  5.9360000000e-04 -3.0620000000e-03 -7.9740000000e-04 -4.8592000000e-03  1.5010000000e-04  3.6848000000e-03  2.5850000000e-03  1.8568000000e-03 -1.0382000000e-02  4.8792000000e-03  4.5665000000e-03  8.1123000000e-03 -5.6541000000e-03 -2.0909000000e-03 -8.3300000000e-04  2.4554000000e-03 -1.4204000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9774500000e-01  3.5665800000e-01 -3.9068000000e-01  4.6835000000e-02  2.5919500000e-01  9.2024800000e-01 -7.7037000000e-02 -2.4091580000e+00 -1.2062720000e+00 -3.7604000000e-02 -1.5140000000e+00 -8.6956800000e-01  5.7312600000e-01 -2.8878270000e+00 -6.9207800000e-01
+ENERGY -1.526581423061e+02
+FORCES  4.5280000000e-04 -4.8976000000e-03  1.3946000000e-03 -4.3126000000e-03 -4.8453000000e-03  2.0835000000e-03  1.3053000000e-03  8.0700000000e-05 -4.9797000000e-03  5.3240000000e-04  1.2404200000e-02  1.0197100000e-02  3.4071000000e-03 -4.4967000000e-03 -7.4963000000e-03 -1.3851000000e-03  1.7548000000e-03 -1.1993000000e-03
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6297100000e-01 -3.8290100000e-01  4.3300600000e-01  8.9886000000e-02  9.4201100000e-01  1.4411200000e-01 -2.3574600000e+00 -8.1769200000e-01  1.1877080000e+00 -2.2948380000e+00 -1.7009970000e+00  8.2427600000e-01 -1.5407570000e+00 -3.9225400000e-01  9.2649700000e-01
+ENERGY -1.526596097908e+02
+FORCES  1.1280000000e-03  4.0990000000e-04  1.8236000000e-03 -4.8450000000e-03  2.1056000000e-03 -1.8917000000e-03 -1.6723000000e-03 -6.0851000000e-03  9.6080000000e-04  1.3006200000e-02  1.4247000000e-03 -9.0476000000e-03 -3.7920000000e-04  1.6806000000e-03  1.7472000000e-03 -7.2378000000e-03  4.6420000000e-04  6.4077000000e-03
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6475600000e-01 -1.3398300000e-01  9.3334700000e-01  4.4985000000e-02 -8.7738300000e-01 -3.8001100000e-01  4.8154800000e-01 -2.6450350000e+00 -7.3760200000e-01  5.2249900000e-01 -2.7195150000e+00 -1.6910210000e+00 -3.5770500000e-01 -3.0403780000e+00 -5.0182700000e-01
+ENERGY -1.526596594857e+02
+FORCES  5.0407000000e-03 -1.4072400000e-02 -8.8140000000e-04 -1.2613000000e-03  4.2570000000e-04 -2.2979000000e-03 -5.4339000000e-03  8.5820000000e-03  6.4750000000e-04 -1.2934000000e-03 -1.2565000000e-03 -2.0124000000e-03 -1.4047000000e-03  1.5379000000e-03  5.6552000000e-03  4.3525000000e-03  4.7834000000e-03 -1.1110000000e-03
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0204200000e-01 -3.0947100000e-01 -4.2093800000e-01 -6.9966500000e-01 -5.0122200000e-01 -4.1890000000e-01  2.0382720000e+00 -1.4786500000e+00 -9.8060500000e-01  2.8419780000e+00 -1.0829770000e+00 -6.4336200000e-01  2.0638930000e+00 -2.3814650000e+00 -6.6358700000e-01
+ENERGY -1.526585661921e+02
+FORCES  1.0129400000e-02 -1.1193100000e-02 -8.4372000000e-03 -2.6929000000e-03  7.8964000000e-03  3.5284000000e-03  1.3727000000e-03  9.1420000000e-04  1.6688000000e-03 -3.9935000000e-03 -6.5710000000e-04  6.2234000000e-03 -6.0212000000e-03 -1.1888000000e-03 -8.2770000000e-04  1.2054000000e-03  4.2283000000e-03 -2.1557000000e-03
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7615000000e-02 -2.7137900000e-01  9.1668900000e-01 -8.2725600000e-01  4.7693500000e-01 -6.6431000000e-02  2.6836300000e-01 -2.6081570000e+00 -1.0678710000e+00  1.7460100000e-01 -1.6643750000e+00 -9.3858300000e-01 -5.5831200000e-01 -2.9764010000e+00 -7.5604100000e-01
+ENERGY -1.526603832772e+02
+FORCES -1.7032000000e-03 -5.5990000000e-04  3.8398000000e-03 -1.5625000000e-03  1.3416000000e-03 -5.1225000000e-03  3.7767000000e-03 -3.5121000000e-03  8.2670000000e-04 -3.7416000000e-03  1.0961500000e-02  3.8726000000e-03  8.5300000000e-04 -9.5756000000e-03 -3.1442000000e-03  2.3776000000e-03  1.3446000000e-03 -2.7240000000e-04
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3877200000e-01 -2.4761500000e-01  3.8907500000e-01  9.4376000000e-02 -2.1182900000e-01 -9.2868400000e-01  2.2957060000e+00 -8.0660700000e-01  1.3287330000e+00  2.2923110000e+00 -7.7545200000e-01  2.2854200000e+00  3.1195230000e+00 -3.8868800000e-01  1.0779310000e+00
+ENERGY -1.526611927938e+02
+FORCES  1.0878300000e-02 -5.1441000000e-03  4.5010000000e-03 -7.9684000000e-03  3.8645000000e-03 -6.0182000000e-03  1.0785000000e-03  6.4800000000e-04  2.8891000000e-03 -9.8520000000e-04  2.4597000000e-03  2.2176000000e-03  1.5267000000e-03  1.5760000000e-04 -4.9276000000e-03 -4.5299000000e-03 -1.9857000000e-03  1.3381000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9951700000e-01 -2.9488100000e-01  4.3594600000e-01  8.4164000000e-02  9.2017800000e-01  2.4984200000e-01 -1.3556100000e-01  1.5148600000e-01 -2.5778640000e+00  2.6354000000e-02  1.9329100000e-01 -1.6353850000e+00  6.0926700000e-01 -3.3734400000e-01 -2.9278760000e+00
+ENERGY -1.526573004441e+02
+FORCES -5.3894000000e-03 -6.1990000000e-04 -1.0385900000e-02  4.7009000000e-03  2.8502000000e-03 -7.9210000000e-04 -1.2235000000e-03 -5.4665000000e-03 -4.8085000000e-03  2.1320000000e-03 -3.8080000000e-03  2.1058100000e-02  1.4082000000e-03  5.8937000000e-03 -7.5885000000e-03 -1.6283000000e-03  1.1506000000e-03  2.5169000000e-03
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6951500000e-01  7.5535000000e-02  9.1536200000e-01  2.6280000000e-03  9.0051600000e-01 -3.2449300000e-01 -2.3616150000e+00 -1.5925460000e+00 -1.1110570000e+00 -1.4851200000e+00 -1.2194370000e+00 -1.0173660000e+00 -2.2699400000e+00 -2.4980400000e+00 -8.1456400000e-01
+ENERGY -1.526609837388e+02
+FORCES -1.2059000000e-03  5.2554000000e-03  4.0731000000e-03  1.8509000000e-03 -1.4570000000e-04 -4.2498000000e-03 -1.9910000000e-04 -4.3243000000e-03  1.7013000000e-03  7.6097000000e-03  8.1480000000e-04  2.6273000000e-03 -7.7998000000e-03 -4.7716000000e-03 -3.7253000000e-03 -2.5580000000e-04  3.1713000000e-03 -4.2660000000e-04
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7398200000e-01 -2.3364300000e-01 -3.1272800000e-01  1.3127700000e-01  8.9828700000e-01 -3.0344600000e-01 -2.2360790000e+00 -1.1469350000e+00 -1.0106770000e+00 -2.6384520000e+00 -1.9892890000e+00 -7.9909400000e-01 -2.5119400000e+00 -9.6826800000e-01 -1.9096820000e+00
+ENERGY -1.526596618070e+02
+FORCES -1.1147300000e-02 -4.5077000000e-03 -4.8638000000e-03  6.8212000000e-03  5.8751000000e-03  2.5862000000e-03 -1.8250000000e-03 -3.1211000000e-03 -4.2420000000e-04  4.6475000000e-03 -9.6540000000e-04  1.1744000000e-03  6.7190000000e-04  3.8906000000e-03 -2.9633000000e-03  8.3170000000e-04 -1.1715000000e-03  4.4907000000e-03
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5848000000e-02 -2.6018500000e-01 -9.1946500000e-01  8.7510700000e-01  3.2549800000e-01  2.1088200000e-01  2.3375010000e+00  9.1048300000e-01  8.5383700000e-01  2.4210650000e+00  8.3339600000e-01  1.8042610000e+00  3.2055810000e+00  6.8754300000e-01  5.1773200000e-01
+ENERGY -1.526594851110e+02
+FORCES  1.5565100000e-02  5.8573000000e-03  3.5187000000e-03  1.7512000000e-03  1.0329000000e-03  2.6052000000e-03 -8.4607000000e-03 -3.2561000000e-03 -2.6777000000e-03 -5.6858000000e-03 -4.8763000000e-03 -5.1080000000e-04  1.0289000000e-03  2.6250000000e-04 -5.3964000000e-03 -4.1986000000e-03  9.7960000000e-04  2.4609000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1671200000e-01 -2.9574200000e-01 -4.0218200000e-01  6.8512100000e-01 -3.0958700000e-01 -5.9245000000e-01  2.1516610000e+00 -9.9979400000e-01 -1.3737460000e+00  2.3977250000e+00 -1.0085000000e+00 -2.2987370000e+00  2.0696330000e+00 -1.9240090000e+00 -1.1385250000e+00
+ENERGY -1.526602524808e+02
+FORCES  9.0460000000e-03 -3.7619000000e-03 -8.6712000000e-03  3.3695000000e-03 -4.4900000000e-05  3.8530000000e-04 -8.7243000000e-03  6.9930000000e-04  6.1320000000e-03 -1.2231000000e-03 -1.1415000000e-03 -4.3600000000e-04 -1.3658000000e-03 -1.3049000000e-03  4.8142000000e-03 -1.1023000000e-03  5.5539000000e-03 -2.2243000000e-03
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2323000000e-02  7.8160000000e-03  9.5573700000e-01 -7.6152800000e-01  5.4319000000e-01 -2.0310600000e-01 -2.0105170000e+00  1.2472710000e+00 -9.4041300000e-01 -2.6787010000e+00  8.0758300000e-01 -4.1464000000e-01 -1.9890170000e+00  2.1422320000e+00 -6.0157100000e-01
+ENERGY -1.526538241936e+02
+FORCES -1.7852500000e-02  1.2176800000e-02 -9.8160000000e-03 -3.6601000000e-03  2.0485000000e-03 -3.5391000000e-03  4.4705000000e-03 -4.1842000000e-03  8.7960000000e-03  7.3942000000e-03 -5.1286000000e-03  4.6787000000e-03  7.9293000000e-03  2.4204000000e-03 -5.3310000000e-04  1.7185000000e-03 -7.3329000000e-03  4.1350000000e-04
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4046700000e-01 -6.1666500000e-01 -3.5462400000e-01  6.0572000000e-02 -1.1025700000e-01  9.4889700000e-01 -1.2783300000e-01  2.6633500000e+00 -9.2817000000e-01 -1.8980400000e-01  1.7851480000e+00 -5.5246700000e-01  6.8202000000e-01  3.0227410000e+00 -5.6594200000e-01
+ENERGY -1.526607721385e+02
+FORCES  2.8818000000e-03 -9.8760000000e-04 -4.5970000000e-04 -2.8803000000e-03  2.3687000000e-03  3.3192000000e-03  6.7760000000e-04  1.0591000000e-03 -5.0902000000e-03  2.7868000000e-03 -1.0966200000e-02  4.6570000000e-03 -1.3162000000e-03  9.7748000000e-03 -1.6686000000e-03 -2.1498000000e-03 -1.2488000000e-03 -7.5770000000e-04
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0590000000e-02  3.5104100000e-01 -8.9044300000e-01 -1.2629500000e-01  7.6513100000e-01  5.6112000000e-01 -2.2506210000e+00 -1.4571730000e+00  1.2422120000e+00 -2.2159210000e+00 -2.2758860000e+00  7.4750300000e-01 -1.5524280000e+00 -9.2040000000e-01  8.6720100000e-01
+ENERGY -1.526606079157e+02
+FORCES  8.9920000000e-04  4.7411000000e-03 -2.8990000000e-03  4.4370000000e-04 -1.2845000000e-03  4.6084000000e-03 -1.5832000000e-03 -5.5835000000e-03 -2.9009000000e-03  8.4548000000e-03  9.8790000000e-04 -6.6870000000e-03 -7.9800000000e-04  2.2020000000e-03  1.4232000000e-03 -7.4166000000e-03 -1.0629000000e-03  6.4552000000e-03
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3298700000e-01 -3.9927200000e-01  4.6855500000e-01  7.7968000000e-01 -3.6703600000e-01  4.1667100000e-01  2.4102090000e+00 -5.5911500000e-01  1.1905160000e+00  2.5393850000e+00 -4.9060300000e-01  2.1364810000e+00  3.1373000000e+00 -6.4421000000e-02  8.1256200000e-01
+ENERGY -1.526606982355e+02
+FORCES  1.0328000000e-02 -4.0886000000e-03  6.7223000000e-03  3.1793000000e-03  9.2170000000e-04 -1.4820000000e-04 -9.0336000000e-03  1.1858000000e-03 -4.6825000000e-03 -1.7032000000e-03  4.7492000000e-03 -4.7870000000e-04  1.3630000000e-04 -1.7580000000e-04 -4.6076000000e-03 -2.9067000000e-03 -2.5923000000e-03  3.1947000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1725600000e-01 -5.3030300000e-01 -3.4720900000e-01  7.6817700000e-01 -2.7989100000e-01 -4.9779100000e-01  2.2447020000e+00 -6.2914900000e-01 -1.0736320000e+00  2.4228470000e+00 -7.6857700000e-01 -2.0037160000e+00  3.0557940000e+00 -2.5736000000e-01 -7.2702900000e-01
+ENERGY -1.526574963453e+02
+FORCES  1.7509400000e-02 -5.8835000000e-03 -8.5887000000e-03  3.7128000000e-03  7.0630000000e-04 -9.6000000000e-04 -7.3840000000e-03  1.0213000000e-03  2.2685000000e-03 -1.0487500000e-02  5.8196000000e-03  6.1315000000e-03 -3.0170000000e-04  8.6390000000e-04  5.1172000000e-03 -3.0489000000e-03 -2.5276000000e-03 -3.9685000000e-03
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2573600000e-01  3.0182200000e-01 -3.7854400000e-01  2.1242300000e-01 -7.9440500000e-01 -4.8992700000e-01  2.1036630000e+00  1.3940920000e+00 -7.2454300000e-01  2.1788600000e+00  2.2858730000e+00 -3.8497700000e-01  1.2672070000e+00  1.0772440000e+00 -3.8369000000e-01
+ENERGY -1.526594419977e+02
+FORCES  6.0262000000e-03  9.7010000000e-04 -5.8240000000e-03  5.4695000000e-03 -8.0860000000e-04  1.4021000000e-03 -2.1831000000e-03  5.0465000000e-03  2.3320000000e-03 -1.4273000000e-02 -8.3777000000e-03  6.7697000000e-03 -2.8739000000e-03 -3.0453000000e-03 -2.2920000000e-04  7.8343000000e-03  6.2150000000e-03 -4.4506000000e-03
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6629800000e-01  4.4751400000e-01 -3.5881800000e-01 -2.7760000000e-03 -8.5811500000e-01 -4.2410200000e-01 -4.1982400000e-01 -2.2532190000e+00 -1.3524030000e+00 -6.6100000000e-01 -2.2191610000e+00 -2.2780950000e+00 -1.1761670000e+00 -2.6517220000e+00 -9.2185500000e-01
+ENERGY -1.526583615907e+02
+FORCES -4.1463000000e-03 -1.4261500000e-02 -1.1494200000e-02  1.4411000000e-03 -1.1965000000e-03  7.9790000000e-04  8.1740000000e-04  5.5133000000e-03  6.5415000000e-03 -1.3953000000e-03  7.0210000000e-03  1.7982000000e-03 -4.0390000000e-04 -5.9720000000e-04  5.2422000000e-03  3.6869000000e-03  3.5209000000e-03 -2.8856000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5190200000e-01  1.1021500000e-01 -9.1685900000e-01 -7.7443000000e-01 -3.7644600000e-01  4.1806500000e-01  7.9972000000e-02  2.6954670000e+00  8.5946500000e-01  1.1626200000e-01  1.8340780000e+00  4.4362400000e-01  9.2362800000e-01  3.0975600000e+00  6.5259100000e-01
+ENERGY -1.526608664679e+02
+FORCES -4.6239000000e-03 -2.1052000000e-03  4.2410000000e-04  1.5445000000e-03  1.9421000000e-03  5.8966000000e-03  3.9161000000e-03  2.0465000000e-03 -3.1691000000e-03  2.8715000000e-03 -1.1086800000e-02 -2.9697000000e-03 -1.1527000000e-03  1.1312700000e-02  6.7300000000e-05 -2.5555000000e-03 -2.1093000000e-03 -2.4920000000e-04
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1111300000e-01  1.7543100000e-01 -8.8806800000e-01  2.3141500000e-01 -9.1510000000e-01  1.5896800000e-01  2.2757600000e-01 -2.7113340000e+00  7.9142100000e-01  3.2003200000e-01 -2.8723520000e+00  1.7304400000e+00  9.8441400000e-01 -3.1455090000e+00  3.9782000000e-01
+ENERGY -1.526604498535e+02
+FORCES  6.5680000000e-04 -1.0644000000e-02  1.2411000000e-03 -3.3270000000e-04 -2.1096000000e-03  2.8716000000e-03  1.6384000000e-03  1.0219800000e-02 -4.4675000000e-03  1.4172000000e-03 -1.2990000000e-03  3.9048000000e-03  2.5630000000e-04 -1.7300000000e-04 -5.1498000000e-03 -3.6360000000e-03  4.0058000000e-03  1.5997000000e-03
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1966900000e-01  3.3533100000e-01 -3.6321900000e-01  6.8246600000e-01  5.0790000000e-01 -4.3875900000e-01  2.5765600000e-01 -2.4514850000e+00 -1.0931230000e+00  1.3166600000e-01 -1.9818610000e+00 -1.9176300000e+00  3.4720300000e-01 -1.7618460000e+00 -4.3539100000e-01
+ENERGY -1.526570937862e+02
+FORCES -2.0028000000e-03 -3.5070000000e-03 -5.8744000000e-03  5.0554000000e-03 -9.5720000000e-04  6.9800000000e-04 -3.9665000000e-03 -4.2023000000e-03  8.2690000000e-04 -2.3711000000e-03  1.6940400000e-02  5.4149000000e-03  1.7250000000e-04 -1.1939000000e-03  9.6350000000e-04  3.1124000000e-03 -7.0800000000e-03 -2.0289000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1357200000e-01  8.6832000000e-02  9.0020200000e-01 -1.4479400000e-01 -9.3927500000e-01 -1.1414500000e-01 -2.0208310000e+00  3.8703670000e+00  2.3037700000e-01 -2.8534850000e+00  4.2508540000e+00 -4.9173000000e-02 -1.3563380000e+00  4.4645160000e+00 -1.1843400000e-01
+ENERGY -1.526534144754e+02
+FORCES  3.8000000000e-05 -2.8634000000e-03  3.6615000000e-03 -7.5570000000e-04 -7.5620000000e-04 -3.7625000000e-03  6.0710000000e-04  3.7766000000e-03  3.2950000000e-04 -4.0080000000e-04  3.3887000000e-03 -3.2228000000e-03  3.3066000000e-03 -1.4783000000e-03  1.2678000000e-03 -2.7951000000e-03 -2.0673000000e-03  1.7265000000e-03
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0059300000e-01 -6.9927000000e-02  9.4932800000e-01  7.8175200000e-01  4.6998100000e-01 -2.9019600000e-01  2.5219400000e-01  1.0020400000e-01  2.5805880000e+00  4.2423300000e-01 -7.0203600000e-01  3.0735860000e+00 -5.5949900000e-01  4.4256100000e-01  2.9549910000e+00
+ENERGY -1.526587998626e+02
+FORCES  4.3607000000e-03  1.7764000000e-03  2.1056300000e-02 -2.1253000000e-03 -1.1321000000e-03 -8.4365000000e-03 -1.6493000000e-03 -1.2041000000e-03  1.5757000000e-03 -3.3362000000e-03 -7.8840000000e-04 -9.2876000000e-03 -1.9272000000e-03  4.5442000000e-03 -3.0893000000e-03  4.6774000000e-03 -3.1960000000e-03 -1.8185000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7054000000e-02  5.3556000000e-02  9.5498200000e-01 -9.8290000000e-03 -9.3860000000e-01 -1.8752600000e-01 -1.9840090000e+00  1.6940130000e+00 -1.0607810000e+00 -2.7792940000e+00  1.2077400000e+00 -8.4331400000e-01 -1.2692050000e+00  1.1014710000e+00 -8.2801400000e-01
+ENERGY -1.526609155367e+02
+FORCES -1.2605000000e-03 -9.1450000000e-04  2.7320000000e-03 -2.9090000000e-04 -1.6665000000e-03 -4.8802000000e-03 -7.2430000000e-04  4.7497000000e-03  1.7565000000e-03  7.0427000000e-03 -9.0930000000e-03  4.9469000000e-03  2.3848000000e-03  1.0246000000e-03 -3.5030000000e-04 -7.1518000000e-03  5.8997000000e-03 -4.2049000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2628000000e-01 -5.5341600000e-01  2.8719300000e-01  8.5596000000e-02  7.9806600000e-01  5.2153200000e-01  4.7631600000e-01  2.4216800000e+00  1.3874660000e+00 -2.0719900000e-01  2.8886030000e+00  9.0681900000e-01  1.2950460000e+00  2.7220110000e+00  9.9285800000e-01
+ENERGY -1.526604460912e+02
+FORCES  4.3008000000e-03  8.5279000000e-03  9.2056000000e-03 -1.5700000000e-03  2.0359000000e-03 -1.1239000000e-03 -3.5987000000e-03 -6.4794000000e-03 -7.7720000000e-03  1.3890000000e-03  3.4305000000e-03 -3.6891000000e-03  4.0602000000e-03 -5.1881000000e-03  1.6006000000e-03 -4.5812000000e-03 -2.3268000000e-03  1.7788000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3620300000e-01 -4.1212000000e-02  9.4656300000e-01 -4.0756000000e-01  8.2442200000e-01 -2.6543500000e-01  2.3134530000e+00 -1.3479890000e+00 -1.2735730000e+00  1.6024830000e+00 -9.4103500000e-01 -7.7845500000e-01  2.1483480000e+00 -2.2881140000e+00 -1.2018980000e+00
+ENERGY -1.526615859398e+02
+FORCES -2.1185000000e-03  4.1492000000e-03  1.2704000000e-03  4.4860000000e-04  3.2070000000e-04 -4.6573000000e-03  1.0234000000e-03 -3.6898000000e-03  2.6780000000e-03 -7.9576000000e-03  1.5599000000e-03  3.6436000000e-03  8.2012000000e-03 -5.2609000000e-03 -3.2084000000e-03  4.0290000000e-04  2.9209000000e-03  2.7370000000e-04
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6148000000e-01  4.7169000000e-01 -3.3747400000e-01  1.3213000000e-02 -8.1946800000e-01 -4.9449900000e-01  1.0940500000e-01 -1.9886000000e-02  2.7252860000e+00  9.7724000000e-02 -9.8241000000e-02  1.7713700000e+00  2.3073700000e-01 -9.1630500000e-01  3.0382450000e+00
+ENERGY -1.526603977412e+02
+FORCES -2.9346000000e-03 -3.1940000000e-04  2.1936000000e-03  4.0479000000e-03 -3.4540000000e-03  9.8590000000e-04 -8.0430000000e-04  4.1212000000e-03  2.9605000000e-03  1.7000000000e-04 -1.6644000000e-03 -1.4273200000e-02 -1.2000000000e-04 -7.5210000000e-04  1.0602800000e-02 -3.5900000000e-04  2.0686000000e-03 -2.4697000000e-03
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6068000000e-02 -1.2259500000e-01 -9.4863100000e-01 -8.3178500000e-01 -3.5012400000e-01  3.1902800000e-01  6.4107000000e-02  1.0458000000e-02 -2.7889940000e+00  9.7374000000e-01 -1.0578200000e-01 -3.0633780000e+00 -1.7477500000e-01  8.7933800000e-01 -3.1118180000e+00
+ENERGY -1.526618750953e+02
+FORCES -1.9519000000e-03 -1.5437000000e-03 -1.2280700000e-02  4.8560000000e-04 -3.1280000000e-04  1.1159500000e-02  2.1012000000e-03  1.2592000000e-03 -2.0631000000e-03  2.5211000000e-03  3.9192000000e-03  4.0550000000e-04 -4.8864000000e-03  1.2836000000e-03  1.6616000000e-03  1.7304000000e-03 -4.6056000000e-03  1.1172000000e-03
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.8134000000e-02  8.4149000000e-01  4.4552900000e-01  8.4941600000e-01 -4.2829600000e-01  1.0624300000e-01  2.1621340000e+00 -1.3029450000e+00  1.2223600000e+00  3.0287340000e+00 -9.1057700000e-01  1.1161380000e+00  2.2977490000e+00 -2.2346440000e+00  1.0497980000e+00
+ENERGY -1.526592308109e+02
+FORCES  1.0001300000e-02 -3.7696000000e-03  7.9161000000e-03 -6.5800000000e-05 -1.9599000000e-03 -1.7063000000e-03 -5.4947000000e-03  4.2956000000e-03 -6.4362000000e-03  1.1781000000e-03 -2.5184000000e-03  2.7890000000e-04 -5.4799000000e-03 -1.4070000000e-03 -3.8900000000e-04 -1.3910000000e-04  5.3594000000e-03  3.3650000000e-04
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3818100000e-01  6.2118800000e-01  4.9063100000e-01 -8.7727600000e-01  9.7861000000e-02  3.7019200000e-01  4.2684000000e-02  1.1651000000e-02 -2.4973380000e+00 -4.7110000000e-03 -2.4254000000e-02 -1.5419870000e+00 -7.8187800000e-01  4.1851600000e-01 -2.7634050000e+00
+ENERGY -1.526538667045e+02
+FORCES  7.7750000000e-04  3.0955000000e-03 -2.0271000000e-02 -4.6855000000e-03 -3.3224000000e-03 -1.4662000000e-03  5.1200000000e-03  1.0185000000e-03 -3.0915000000e-03 -6.7380000000e-04  6.1950000000e-04  2.7897000000e-02 -1.8696000000e-03 -3.3580000000e-04 -6.4695000000e-03  1.3315000000e-03 -1.0752000000e-03  3.4012000000e-03
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0021600000e-01  3.0817000000e-02  9.5144000000e-01  7.2025200000e-01  6.0266800000e-01 -1.8509500000e-01 -2.0984290000e+00  1.2862460000e+00 -9.5691600000e-01 -2.7653950000e+00  6.4238000000e-01 -7.1853300000e-01 -1.2903910000e+00  9.4926800000e-01 -5.6993700000e-01
+ENERGY -1.526572379866e+02
+FORCES -3.7300000000e-03  4.1303000000e-03 -7.2140000000e-04 -1.0496000000e-03  1.1580000000e-03 -6.3859000000e-03 -6.9920000000e-03 -1.8870000000e-03  1.1421000000e-03  1.4639900000e-02 -1.3546200000e-02  6.9115000000e-03  1.7129000000e-03  1.7104000000e-03  3.4830000000e-04 -4.5814000000e-03  8.4345000000e-03 -1.2946000000e-03
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6682000000e-02 -1.5171200000e-01  9.4339900000e-01 -1.2294500000e-01  9.4554300000e-01 -8.4054000000e-02  2.2152080000e+00 -1.1458520000e+00 -1.0462230000e+00  2.1849040000e+00 -2.0236210000e+00 -6.6565300000e-01  1.4064170000e+00 -7.2798900000e-01 -7.5045200000e-01
+ENERGY -1.526599669757e+02
+FORCES  5.3458000000e-03  8.0880000000e-04  6.3930000000e-04  1.0470000000e-04  7.0940000000e-04 -5.3101000000e-03  7.2990000000e-04 -5.0595000000e-03  1.4870000000e-03 -1.4279200000e-02  4.9665000000e-03  5.8205000000e-03 -6.2970000000e-04  2.9521000000e-03  1.8820000000e-04  8.7284000000e-03 -4.3773000000e-03 -2.8249000000e-03
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1109400000e-01 -4.4450700000e-01 -2.4651800000e-01  6.9195400000e-01 -5.1721400000e-01 -4.1221600000e-01 -2.5251300000e-01  2.9430700000e-01  2.8184720000e+00 -1.4028700000e-01  3.0039000000e-02  1.9053460000e+00 -1.5224800000e-01  1.2461710000e+00  2.8068870000e+00
+ENERGY -1.526613676043e+02
+FORCES -4.5100000000e-05 -2.4978000000e-03 -2.4052000000e-03  4.9731000000e-03  1.8246000000e-03  2.5870000000e-03 -4.1915000000e-03  2.2627000000e-03  2.0388000000e-03  2.5105000000e-03  2.2472000000e-03 -1.2433500000e-02 -2.8255000000e-03 -1.3389000000e-03  9.4346000000e-03 -4.2160000000e-04 -2.4978000000e-03  7.7840000000e-04
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9911000000e-01 -5.0988700000e-01 -1.3293300000e-01  7.0582300000e-01 -5.8251300000e-01 -2.8057900000e-01 -2.1307970000e+00 -1.3541020000e+00 -3.9674600000e-01 -2.3887400000e+00 -1.4905900000e+00 -1.3083760000e+00 -2.9113130000e+00 -9.9088400000e-01  2.1701000000e-02
+ENERGY -1.526572219138e+02
+FORCES -1.8845500000e-02 -1.4213400000e-02 -3.5042000000e-03  6.2013000000e-03  4.8804000000e-03  1.6366000000e-03 -3.0924000000e-03  5.1240000000e-04 -4.2760000000e-04  1.0711200000e-02  9.7365000000e-03  5.6160000000e-04  7.0500000000e-04  8.1260000000e-04  5.3903000000e-03  4.3204000000e-03 -1.7285000000e-03 -3.6567000000e-03
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3828900000e-01 -8.9445300000e-01  2.4372800000e-01 -7.8254400000e-01  1.8940600000e-01  5.1767000000e-01  1.4075900000e-01 -2.4734500000e+00  1.3944690000e+00  9.7697700000e-01 -2.8441540000e+00  1.1124250000e+00  1.7822300000e-01 -2.4967590000e+00  2.3506510000e+00
+ENERGY -1.526587675113e+02
+FORCES -3.3890000000e-03 -1.0604300000e-02  8.3905000000e-03  3.8665000000e-03  4.3653000000e-03 -6.3512000000e-03  1.8717000000e-03  1.3675000000e-03 -1.5439000000e-03  2.2008000000e-03  1.1821000000e-03  3.7417000000e-03 -4.4518000000e-03  4.4625000000e-03  4.1510000000e-04 -9.8300000000e-05 -7.7300000000e-04 -4.6521000000e-03
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5128900000e-01 -5.2341400000e-01  2.7898700000e-01  6.8959000000e-02  8.0849800000e-01  5.0774800000e-01  1.9027500000e-01  2.5301820000e+00  7.4021400000e-01 -5.4189600000e-01  2.9168590000e+00  2.5996400000e-01  9.4380700000e-01  3.0719850000e+00  5.0596900000e-01
+ENERGY -1.526588834153e+02
+FORCES  3.3576000000e-03  1.5275400000e-02  6.0698000000e-03 -1.2762000000e-03  3.1568000000e-03 -4.0230000000e-04 -3.0644000000e-03 -8.7038000000e-03 -1.7615000000e-03  7.9140000000e-04 -6.6101000000e-03 -7.4275000000e-03  4.4295000000e-03 -1.6993000000e-03  2.5601000000e-03 -4.2378000000e-03 -1.4191000000e-03  9.6140000000e-04
+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3685000000e-02  2.6273500000e-01 -9.1886900000e-01 -8.9629300000e-01 -2.4188500000e-01  2.3320200000e-01  2.4061600000e+00 -1.4843020000e+00  7.3391300000e-01  1.6711970000e+00 -9.0113800000e-01  5.4422500000e-01  3.1815410000e+00 -9.8329100000e-01  4.8092400000e-01
+ENERGY -1.526614923193e+02
+FORCES -3.7865000000e-03 -1.6326000000e-03 -2.0458000000e-03 -4.3300000000e-05 -1.0755000000e-03  4.4904000000e-03  3.5615000000e-03  1.9221000000e-03 -2.2982000000e-03 -6.1012000000e-03  6.4703000000e-03 -2.2343000000e-03  9.3174000000e-03 -4.5457000000e-03  2.0130000000e-03 -2.9479000000e-03 -1.1385000000e-03  7.4900000000e-05
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1938000000e-01 -3.0083900000e-01  3.9286700000e-01  9.5929000000e-02  9.0189000000e-01  3.0598100000e-01  2.3139360000e+00  3.7844560000e+00 -2.5245400000e-01  3.2068110000e+00  3.5636390000e+00  1.2585000000e-02  2.1445290000e+00  4.6324250000e+00  1.5801200000e-01
+ENERGY -1.526552692320e+02
+FORCES -2.4351000000e-03  3.3343000000e-03  2.3522000000e-03  3.2222000000e-03  1.1679000000e-03 -1.4957000000e-03 -1.3227000000e-03 -4.8920000000e-03 -5.3850000000e-04  3.9268000000e-03  2.9526000000e-03  2.1313000000e-03 -3.8799000000e-03  1.1536000000e-03 -8.9870000000e-04  4.8870000000e-04 -3.7163000000e-03 -1.5507000000e-03
+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3030000000e-03 -6.4522000000e-02  9.5500200000e-01 -8.4050500000e-01  4.0837300000e-01 -2.0740200000e-01 -1.2631500000e-01  3.9066800000e-01  2.8134970000e+00 -5.0296000000e-02 -5.0661200000e-01  3.1380600000e+00 -9.9155900000e-01  6.7862600000e-01  3.1044710000e+00
+ENERGY -1.526588556975e+02
+FORCES -2.7916000000e-03  4.5737000000e-03  1.2143700000e-02  6.9300000000e-04 -5.8545000000e-03 -8.1438000000e-03  2.0355000000e-03 -1.2646000000e-03  4.9020000000e-04 -3.3536000000e-03 -1.2830000000e-04  2.2582000000e-03 -8.7780000000e-04  4.7220000000e-03 -4.8445000000e-03  4.2945000000e-03 -2.0483000000e-03 -1.9037000000e-03
+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5182000000e-02 -1.0147500000e-01  9.5168500000e-01  6.2639400000e-01 -6.5797700000e-01 -3.0154300000e-01 -2.3543100000e-01  2.4707910000e+00 -9.2754700000e-01 -2.3527400000e-01  1.5928440000e+00 -5.4618100000e-01  5.0124000000e-01  2.9149490000e+00 -5.0770000000e-01
+ENERGY -1.526587773823e+02
+FORCES  1.9226000000e-03  6.3701000000e-03 -3.6613000000e-03  1.3382000000e-03  9.5020000000e-04 -5.3187000000e-03 -3.0110000000e-03  2.3918000000e-03  3.7231000000e-03  3.7187000000e-03 -1.5995700000e-02  6.4498000000e-03 -2.2205000000e-03  8.1446000000e-03 -7.3000000000e-04 -1.7479000000e-03 -1.8610000000e-03 -4.6290000000e-04
+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7844200000e-01 -9.3643600000e-01  8.6473000000e-02  7.8117200000e-01  1.4573000000e-01  5.3363300000e-01 -1.7351400000e-01 -2.2722300000e-01 -2.7107140000e+00 -2.6879100000e-01 -1.1642580000e+00 -2.8813590000e+00 -6.8790000000e-03 -1.7035700000e-01 -1.7698470000e+00
+ENERGY -1.526576334136e+02
+FORCES  2.0521000000e-03 -1.4163000000e-03 -6.4170000000e-04  2.3381000000e-03  5.3450000000e-03 -4.8670000000e-03 -4.5318000000e-03 -1.7869000000e-03 -2.5334000000e-03  1.5312000000e-03  1.5141000000e-03  1.3673200000e-02  3.1030000000e-04  2.6085000000e-03  3.0835000000e-03 -1.7000000000e-03 -6.2645000000e-03 -8.7147000000e-03
+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1214100000e-01  2.2039200000e-01  9.2470700000e-01  7.5430600000e-01  3.9783900000e-01 -4.3471600000e-01  7.5009000000e-02 -2.5345130000e+00 -1.1392500000e+00 -7.9890300000e-01 -2.9247150000e+00 -1.1233670000e+00 -2.8878000000e-02 -1.6949090000e+00 -6.9147200000e-01
+ENERGY -1.526617013336e+02
+FORCES  3.4500000000e-03 -5.0890000000e-04  9.7340000000e-04 -5.3300000000e-05 -2.3690000000e-04 -4.8710000000e-03 -3.9226000000e-03 -2.7582000000e-03  3.1087000000e-03 -3.4340000000e-03  1.0664000000e-02  5.8438000000e-03  2.3039000000e-03  1.7048000000e-03  7.1130000000e-04  1.6560000000e-03 -8.8648000000e-03 -5.7663000000e-03
+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3480400000e-01 -5.9065300000e-01  4.0544400000e-01 -1.1187100000e-01  8.2878800000e-01  4.6564700000e-01  1.7064000000e-02 -5.3385000000e-02 -2.8409160000e+00 -8.2966000000e-02 -8.0111000000e-02 -1.8893320000e+00  1.7789000000e-01  8.6907300000e-01 -3.0395060000e+00
+ENERGY -1.526607283762e+02
+FORCES -2.0717000000e-03  1.3249000000e-03  1.8955000000e-03  3.0337000000e-03  3.7145000000e-03 -2.4813000000e-03  1.3170000000e-04 -4.3475000000e-03 -2.1493000000e-03  1.0730000000e-03  3.0042000000e-03  1.1931100000e-02 -1.5907000000e-03 -1.3980000000e-03 -1.0027600000e-02 -5.7600000000e-04 -2.2981000000e-03  8.3170000000e-04
+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5261600000e-01 -4.0335900000e-01 -4.3255400000e-01  7.6079600000e-01 -4.2217300000e-01 -3.9898800000e-01  1.8249270000e+00 -1.6003570000e+00 -1.2504210000e+00  1.9724300000e+00 -1.7756700000e+00 -2.1797980000e+00  1.8365610000e+00 -2.4642820000e+00 -8.3843700000e-01
+ENERGY -1.526599410455e+02
+FORCES  7.8588000000e-03 -9.2580000000e-03 -9.1011000000e-03  1.3823000000e-03  9.7390000000e-04  1.3300000000e-03 -4.3477000000e-03  4.4325000000e-03  5.5337000000e-03 -3.6070000000e-03  6.3620000000e-04  6.7790000000e-04 -9.2620000000e-04 -9.0280000000e-04  4.8366000000e-03 -3.6030000000e-04  4.1181000000e-03 -3.2771000000e-03
+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5361100000e-01 -8.0742400000e-01  4.9061400000e-01  6.9774800000e-01  5.9021300000e-01  2.8465400000e-01  3.2601900000e-01 -2.2871640000e+00  1.4061200000e+00  1.1180960000e+00 -2.8187810000e+00  1.3272000000e+00  1.6233000000e-01 -2.2387650000e+00  2.3479780000e+00
+ENERGY -1.526602402204e+02
+FORCES  3.4377000000e-03 -1.2230100000e-02  8.5274000000e-03 -9.7070000000e-04  8.7134000000e-03 -4.7977000000e-03 -1.5596000000e-03 -2.5186000000e-03  6.2000000000e-06  8.0010000000e-04  3.4367000000e-03 -5.7000000000e-04 -3.9333000000e-03  3.1541000000e-03  1.7186000000e-03  2.2257000000e-03 -5.5560000000e-04 -4.8844000000e-03
+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0419200000e-01 -9.0123800000e-01  3.0519800000e-01  7.7713600000e-01  4.5473200000e-01  3.2482400000e-01  2.0827260000e+00  1.2870990000e+00  7.4073800000e-01  2.8096500000e+00  7.8329000000e-01  3.7469200000e-01  2.0663250000e+00  2.0936830000e+00  2.2558200000e-01
+ENERGY -1.526564548410e+02
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+
+JOB 60
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8932000000e-02 -1.8106800000e-01 -9.3738700000e-01 -6.7610600000e-01 -5.4664100000e-01  4.0036900000e-01  2.4679620000e+00 -1.0031500000e+00  6.1474600000e-01  1.7236210000e+00 -5.0461600000e-01  2.7762200000e-01  3.2309790000e+00 -6.1312600000e-01  1.8822900000e-01
+ENERGY -1.526600080182e+02
+FORCES -5.9240000000e-04 -5.8459000000e-03  1.6114000000e-03  2.6984000000e-03  3.8520000000e-04  5.4667000000e-03  2.4775000000e-03  3.1351000000e-03 -3.3648000000e-03 -1.0991100000e-02  6.5948000000e-03 -2.1212000000e-03  1.0613000000e-02 -4.0260000000e-03 -1.5538000000e-03 -4.2054000000e-03 -2.4330000000e-04 -3.8400000000e-05
+
+JOB 61
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3851000000e-02  9.5302000000e-02 -9.4874600000e-01 -8.3991000000e-01  3.0108100000e-01  3.4660200000e-01 -2.3402540000e+00  1.1144780000e+00  6.9501600000e-01 -3.1911910000e+00  8.4241600000e-01  3.5132800000e-01 -2.1376750000e+00  1.9219690000e+00  2.2262700000e-01
+ENERGY -1.526584718569e+02
+FORCES -1.6045000000e-02  5.0010000000e-03  2.8435000000e-03 -5.2810000000e-04  8.2200000000e-04  2.6174000000e-03  9.1464000000e-03 -3.6410000000e-04 -3.2227000000e-03  2.9377000000e-03 -1.5820000000e-03 -4.0630000000e-03  4.7253000000e-03  2.5845000000e-03  7.3470000000e-04 -2.3630000000e-04 -6.4613000000e-03  1.0902000000e-03
+
+JOB 62
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+ENERGY -1.526518122303e+02
+FORCES  1.5826000000e-03  2.1087000000e-03 -2.8291000000e-03  1.5426000000e-03 -1.0362000000e-03  3.9606000000e-03 -2.8808000000e-03 -2.2200000000e-05 -1.1620000000e-03 -3.2550000000e-04 -2.9838000000e-03 -2.5038000000e-03 -4.5100000000e-05 -1.6560000000e-04  4.2908000000e-03  1.2630000000e-04  2.0989000000e-03 -1.7564000000e-03
+
+JOB 63
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7814000000e-02  1.7180300000e-01 -9.3755200000e-01 -3.4690000000e-03 -9.5464900000e-01  6.9756000000e-02  5.2214000000e-01 -1.3544000000e-02 -2.7442650000e+00 -2.9100600000e-01  4.0806500000e-01 -3.0222450000e+00  1.2148770000e+00  5.3574000000e-01 -3.1111900000e+00
+ENERGY -1.526596636820e+02
+FORCES  4.3881000000e-03 -3.9161000000e-03 -1.3219200000e-02 -5.9006000000e-03  3.1405000000e-03  7.1065000000e-03 -4.3350000000e-04  2.5716000000e-03  5.8610000000e-04  1.5258000000e-03  2.4356000000e-03 -1.0711000000e-03  4.8369000000e-03 -1.7184000000e-03  5.0756000000e-03 -4.4166000000e-03 -2.5131000000e-03  1.5221000000e-03
+
+JOB 64
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+ENERGY -1.526597917657e+02
+FORCES -3.2307000000e-03 -5.2469000000e-03  1.3019000000e-03 -3.9440000000e-04  7.3560000000e-04  5.4920000000e-03 -4.6163000000e-03  2.1950000000e-03 -2.6457000000e-03  1.3770500000e-02  8.1860000000e-03 -7.7293000000e-03  3.0065000000e-03 -1.0269000000e-03 -1.5680000000e-04 -8.5356000000e-03 -4.8428000000e-03  3.7379000000e-03
+
+JOB 65
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0424700000e-01 -5.6890000000e-02  9.4980400000e-01  8.0153500000e-01  5.0846800000e-01 -1.2342700000e-01  2.4134290000e+00  1.1952740000e+00 -5.3460100000e-01  2.5550100000e+00  1.2689220000e+00 -1.4784030000e+00  3.2589440000e+00  9.1219300000e-01 -1.8646000000e-01
+ENERGY -1.526608094456e+02
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+
+JOB 66
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1786000000e-02  1.7508800000e-01 -9.3902000000e-01  7.2257600000e-01  5.5150900000e-01  2.9992300000e-01  2.0199800000e+00  1.3267830000e+00  1.1961570000e+00  2.0991430000e+00  1.4290210000e+00  2.1445830000e+00  2.6507630000e+00  6.4157800000e-01  9.7516200000e-01
+ENERGY -1.526595485012e+02
+FORCES  8.8689000000e-03  9.4810000000e-03  5.8966000000e-03  2.2061000000e-03  2.7980000000e-04  3.2999000000e-03 -3.0746000000e-03 -7.7265000000e-03 -7.1978000000e-03 -3.7073000000e-03 -4.3707000000e-03  2.6948000000e-03  1.5711000000e-03 -8.9050000000e-04 -4.7564000000e-03 -5.8642000000e-03  3.2269000000e-03  6.2900000000e-05
+
+JOB 67
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+ENERGY -1.526567525580e+02
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+
+JOB 68
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+ENERGY -1.526601417556e+02
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+
+JOB 69
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+ENERGY -1.526588919351e+02
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+
+JOB 70
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+
+JOB 71
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+
+JOB 72
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+
+JOB 73
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+
+JOB 74
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+ENERGY -1.526587888058e+02
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+
+JOB 75
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+ENERGY -1.526563451504e+02
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+
+JOB 76
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+ENERGY -1.526607369587e+02
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+
+JOB 77
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+ENERGY -1.526608076973e+02
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+
+JOB 78
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+ENERGY -1.526607242317e+02
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+
+JOB 79
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+ENERGY -1.526618221582e+02
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+
+JOB 80
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+JOB 81
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+JOB 82
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+JOB 83
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+JOB 84
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+JOB 85
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+JOB 86
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+JOB 87
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+JOB 88
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+JOB 89
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+JOB 90
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+JOB 91
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+JOB 92
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+
+JOB 93
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+
+JOB 94
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+
+JOB 95
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+
+JOB 96
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+
+JOB 97
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+
+JOB 98
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+
+JOB 99
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+ENERGY -1.526599506988e+02
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+
+JOB 100
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+
+JOB 101
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+
+JOB 102
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+
+JOB 103
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+JOB 104
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+
+JOB 105
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+
+JOB 106
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+JOB 107
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+JOB 108
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+JOB 109
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+JOB 110
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+JOB 111
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+JOB 112
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+JOB 113
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+JOB 114
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+
+JOB 115
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+
+JOB 116
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+
+JOB 117
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+JOB 118
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+
+JOB 119
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+
+JOB 120
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+
+JOB 121
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+
+JOB 122
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+ENERGY -1.526526588666e+02
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+
+JOB 123
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+
+JOB 124
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+JOB 125
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+JOB 126
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+JOB 127
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+JOB 128
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+JOB 129
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+JOB 130
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+JOB 131
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+JOB 132
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+JOB 133
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+JOB 134
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+JOB 135
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+JOB 136
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+JOB 137
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+JOB 138
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+JOB 139
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+JOB 140
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+JOB 141
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+JOB 142
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+JOB 143
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+JOB 144
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+JOB 145
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+JOB 146
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+JOB 147
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+JOB 148
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+JOB 149
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+JOB 150
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+JOB 151
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+JOB 152
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+JOB 153
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+JOB 154
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+JOB 155
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+JOB 156
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+JOB 157
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+JOB 158
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+JOB 159
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+JOB 160
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+JOB 161
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+JOB 162
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+JOB 163
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+JOB 164
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+JOB 165
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+JOB 166
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+JOB 167
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+JOB 168
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+JOB 169
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+JOB 170
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+JOB 171
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+JOB 172
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+JOB 173
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+JOB 174
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+JOB 175
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+JOB 176
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+JOB 177
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+JOB 178
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+JOB 179
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+JOB 180
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+JOB 181
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+JOB 182
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+JOB 183
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+JOB 184
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+JOB 185
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+JOB 186
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+JOB 187
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+JOB 188
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+JOB 189
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+JOB 190
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+JOB 191
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+JOB 192
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+JOB 193
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+JOB 194
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+JOB 195
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+JOB 196
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+JOB 197
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+JOB 198
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+JOB 199
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+JOB 200
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+JOB 201
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+JOB 202
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+JOB 203
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+JOB 204
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+JOB 205
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+JOB 206
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+JOB 207
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+JOB 208
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+JOB 209
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+JOB 210
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+JOB 211
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+JOB 212
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+JOB 213
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+JOB 214
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+JOB 215
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+JOB 216
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+JOB 217
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+JOB 218
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+JOB 219
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+JOB 220
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+JOB 221
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+JOB 222
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+JOB 223
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+JOB 224
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+JOB 225
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+JOB 226
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+JOB 227
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+JOB 228
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+JOB 229
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+JOB 230
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+JOB 231
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+JOB 232
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+JOB 233
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+JOB 234
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+JOB 235
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+JOB 236
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+JOB 237
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+JOB 238
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+JOB 239
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+JOB 240
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+JOB 241
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+JOB 242
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+JOB 243
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+JOB 244
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+JOB 245
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+JOB 246
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+
+JOB 247
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+
+JOB 248
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+
+JOB 249
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+
+JOB 250
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+ENERGY -1.526600591097e+02
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+
+JOB 251
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+
+JOB 252
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+
+JOB 253
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+
+JOB 254
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+
+JOB 255
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+
+JOB 256
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+
+JOB 257
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+JOB 258
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+JOB 259
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+
+JOB 260
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+
+JOB 261
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+JOB 262
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+JOB 263
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+JOB 264
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+JOB 265
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+JOB 266
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+JOB 267
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+JOB 268
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+JOB 269
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+JOB 270
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+JOB 271
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+JOB 272
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+JOB 273
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+JOB 274
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+JOB 275
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+JOB 276
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+JOB 277
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+JOB 278
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+JOB 279
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+JOB 280
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+JOB 281
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+JOB 282
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+JOB 283
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+JOB 284
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+JOB 285
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+JOB 286
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+JOB 287
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+
+JOB 291
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+
+JOB 292
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+
+JOB 293
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+
+JOB 294
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+ENERGY -1.526582996709e+02
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+
+JOB 295
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+ENERGY -1.526606948513e+02
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+
+JOB 296
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+
+JOB 297
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+
+JOB 298
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+
+JOB 299
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+
+JOB 300
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+JOB 301
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+JOB 302
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+JOB 303
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+JOB 304
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+JOB 305
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+JOB 306
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+JOB 307
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+JOB 308
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+ENERGY -1.526606818787e+02
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+JOB 309
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+JOB 310
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+JOB 311
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+JOB 312
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+
+JOB 335
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+
+JOB 336
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+
+JOB 337
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+
+JOB 338
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+ENERGY -1.526536850689e+02
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+
+JOB 339
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+
+JOB 340
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+
+JOB 341
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+ENERGY -1.526575155005e+02
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+
+JOB 342
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+
+JOB 343
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+JOB 344
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+JOB 345
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+JOB 346
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+JOB 347
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+JOB 348
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+JOB 349
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+JOB 350
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+JOB 351
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+JOB 352
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+JOB 353
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+JOB 354
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+JOB 355
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+JOB 356
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+JOB 357
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+JOB 358
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+JOB 359
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+JOB 360
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+JOB 361
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+JOB 362
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+JOB 363
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+JOB 364
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+JOB 365
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+JOB 366
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+JOB 367
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+JOB 368
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+JOB 369
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+JOB 370
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+JOB 371
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+JOB 372
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+JOB 373
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+JOB 374
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+JOB 375
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+JOB 376
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+JOB 377
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+JOB 378
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+JOB 381
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+JOB 382
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+JOB 383
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+JOB 384
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+JOB 387
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+JOB 388
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+JOB 392
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+JOB 401
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+JOB 402
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+JOB 403
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+JOB 404
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+JOB 405
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+JOB 406
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+JOB 407
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+JOB 408
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+JOB 409
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+JOB 410
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+JOB 411
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+JOB 412
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+JOB 413
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+JOB 415
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+JOB 416
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+JOB 417
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+JOB 425
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+JOB 427
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+JOB 429
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+JOB 432
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+JOB 489
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+JOB 490
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+JOB 491
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+JOB 492
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+JOB 493
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+JOB 494
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+JOB 495
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+JOB 496
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+JOB 497
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+JOB 498
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+JOB 499
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+JOB 502
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+JOB 503
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+JOB 504
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+JOB 511
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+JOB 512
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+JOB 513
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+JOB 514
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+JOB 515
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+JOB 516
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+JOB 517
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+JOB 518
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+JOB 519
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+JOB 520
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+JOB 521
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+JOB 522
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+JOB 523
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+JOB 524
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+JOB 525
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+JOB 526
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+JOB 527
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+JOB 528
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+JOB 530
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+JOB 531
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+JOB 532
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+JOB 559
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+JOB 560
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+
+JOB 577
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+
+JOB 578
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+
+JOB 579
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+
+JOB 580
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+
+JOB 581
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+
+JOB 582
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+
+JOB 583
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+
+JOB 584
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+
+JOB 585
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+
+JOB 586
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+
+JOB 587
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+
+JOB 588
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+
+JOB 589
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+
+JOB 590
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+
+JOB 591
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+JOB 592
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+JOB 593
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+JOB 594
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+JOB 595
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+JOB 596
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+JOB 597
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+JOB 598
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4092600000e-01 -1.1321600000e-01 -4.4301000000e-01 -2.4036000000e-02 -6.2562900000e-01  7.2404600000e-01 -1.9440980000e+00 -5.7554900000e-01 -1.6103540000e+00 -2.0538560000e+00 -1.5610600000e-01 -2.4637310000e+00 -2.8370920000e+00 -7.2940800000e-01 -1.3019390000e+00
+ENERGY -1.526572113844e+02
+FORCES -1.4290800000e-02 -5.8226000000e-03 -1.1936900000e-02  4.0871000000e-03  1.8154000000e-03  7.0645000000e-03 -1.9285000000e-03  1.3079000000e-03 -2.5590000000e-03  7.9054000000e-03  4.2381000000e-03  3.8716000000e-03 -1.3369000000e-03 -2.8421000000e-03  4.6160000000e-03  5.5638000000e-03  1.3033000000e-03 -1.0561000000e-03
+
+JOB 599
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4101900000e-01  7.6430300000e-01 -4.6452100000e-01  8.1226000000e-02  2.2630800000e-01  9.2650900000e-01  1.2107650000e+00 -1.8995200000e-01  2.8695840000e+00  9.1800200000e-01  7.2134200000e-01  2.8775920000e+00  8.0866700000e-01 -5.7803500000e-01  3.6467200000e+00
+ENERGY -1.526547128022e+02
+FORCES  3.9985000000e-03  1.0447000000e-03  4.4412000000e-03 -1.2719000000e-03 -2.5757000000e-03  2.5737000000e-03 -3.2263000000e-03  4.3891000000e-03 -4.8787000000e-03 -8.3540000000e-04  2.5800000000e-04  5.9415000000e-03 -7.6990000000e-04 -5.3340000000e-03 -4.3579000000e-03  2.1051000000e-03  2.2180000000e-03 -3.7199000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1856400000e-01 -5.4827500000e-01 -3.1510500000e-01 -1.4940300000e-01  8.5124900000e-01 -4.1144300000e-01  2.8636750000e+00 -6.0440600000e-01 -1.0419900000e-01  1.9202500000e+00 -4.4352100000e-01 -8.6958000000e-02  3.2459590000e+00  1.6406300000e-01  3.1952900000e-01
+ENERGY -1.526614350957e+02
+FORCES -3.7915000000e-03  1.0180000000e-04 -2.9222000000e-03  2.8334000000e-03  3.6819000000e-03  1.2131000000e-03  1.1154000000e-03 -4.4156000000e-03  2.0520000000e-03 -9.0660000000e-03  3.3473000000e-03  2.4235000000e-03  1.0443000000e-02 -9.0990000000e-04 -1.0646000000e-03 -1.5343000000e-03 -1.8055000000e-03 -1.7018000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5893800000e-01  6.6404600000e-01  2.0267100000e-01  2.3939900000e-01 -7.4976100000e-01  5.4477400000e-01 -2.3679020000e+00  1.0451240000e+00  4.6087800000e-01 -1.5360050000e+00  5.7165300000e-01  4.6278800000e-01 -3.0336260000e+00  3.6035000000e-01  3.9662700000e-01
+ENERGY -1.526581312198e+02
+FORCES -3.7981000000e-03  4.6846000000e-03  2.0258000000e-03 -4.0396000000e-03 -4.5165000000e-03 -1.3260000000e-04 -3.1666000000e-03  5.0178000000e-03 -2.2122000000e-03  1.5996000000e-02 -8.9962000000e-03 -4.8005000000e-03 -8.4007000000e-03  3.2495000000e-03  4.7241000000e-03  3.4090000000e-03  5.6080000000e-04  3.9540000000e-04
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0997600000e-01 -4.5784200000e-01  2.2483400000e-01 -6.8720000000e-02 -8.6742000000e-02 -9.5078100000e-01 -1.6184490000e+00 -2.7405300000e+00 -7.8817200000e-01 -2.3586490000e+00 -3.3285850000e+00 -9.3826000000e-01 -1.9340600000e+00 -1.8812370000e+00 -1.0678780000e+00
+ENERGY -1.526545420964e+02
+FORCES  4.2793000000e-03 -4.5979000000e-03 -1.9954000000e-03 -2.4983000000e-03  3.2959000000e-03 -8.1060000000e-04 -1.8496000000e-03  5.3310000000e-04  3.5902000000e-03 -4.7381000000e-03  2.1225000000e-03 -1.0180000000e-04  3.1497000000e-03  2.6536000000e-03  8.7950000000e-04  1.6571000000e-03 -4.0072000000e-03 -1.5619000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8376900000e-01 -5.4636300000e-01  5.8527000000e-02 -3.1868100000e-01  8.4307000000e-01 -3.2234700000e-01 -2.2061440000e+00 -1.5497800000e+00 -3.2643600000e-01 -2.1080790000e+00 -2.4949280000e+00 -2.1106000000e-01 -2.9767680000e+00 -1.3231410000e+00  1.9414600000e-01
+ENERGY -1.526598912299e+02
+FORCES -1.3559100000e-02 -7.1431000000e-03 -3.7743000000e-03  7.4096000000e-03  5.5320000000e-03  3.3221000000e-03  1.0680000000e-04 -2.2806000000e-03  1.3397000000e-03  2.3597000000e-03 -5.7820000000e-04  1.4077000000e-03 -1.2839000000e-03  5.3581000000e-03  1.9220000000e-04  4.9668000000e-03 -8.8820000000e-04 -2.4873000000e-03
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4877800000e-01 -1.2630100000e-01  1.0000000000e-02 -3.3639600000e-01 -7.4737500000e-01 -4.9446900000e-01  2.5043890000e+00 -1.0136590000e+00 -2.6245900000e-01  3.3217750000e+00 -5.3200900000e-01 -1.3546800000e-01  2.6673030000e+00 -1.8708450000e+00  1.3114400000e-01
+ENERGY -1.526594164597e+02
+FORCES  1.3842400000e-02 -7.9935000000e-03 -3.7855000000e-03 -6.0217000000e-03  5.3458000000e-03  1.6820000000e-03 -1.9550000000e-04  1.4177000000e-03  1.8021000000e-03 -3.0440000000e-03 -4.9730000000e-04  2.6452000000e-03 -4.7402000000e-03 -2.6586000000e-03  2.0480000000e-04  1.5890000000e-04  4.3860000000e-03 -2.5486000000e-03
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7162700000e-01  5.5208600000e-01 -1.2659000000e-01  3.0499800000e-01 -7.1400300000e-01  5.5982800000e-01  1.9600810000e+00  1.8542810000e+00  1.1600900000e-01  1.8012660000e+00  2.7967690000e+00  6.3800000000e-02  2.8369480000e+00  1.7380400000e+00 -2.4981000000e-01
+ENERGY -1.526597494310e+02
+FORCES  1.1289600000e-02  9.1339000000e-03  2.5670000000e-03 -4.9410000000e-03 -7.5499000000e-03 -1.6857000000e-03  1.3070000000e-04  2.2034000000e-03 -1.8183000000e-03 -4.3910000000e-03  1.7680000000e-04 -8.5470000000e-04  2.9044000000e-03 -4.3771000000e-03 -6.5500000000e-05 -4.9927000000e-03  4.1280000000e-04  1.8572000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9503000000e-01 -5.3252000000e-01  2.4135000000e-02 -2.7642200000e-01  8.2608000000e-01 -3.9675500000e-01 -2.1327550000e+00 -1.7783120000e+00 -1.4810900000e-01 -2.0662000000e+00 -2.7215330000e+00  6.7300000000e-04 -2.9567310000e+00 -1.5270780000e+00  2.6923500000e-01
+ENERGY -1.526608209727e+02
+FORCES -9.9458000000e-03 -6.7807000000e-03 -2.3086000000e-03  6.3345000000e-03  8.0655000000e-03  1.4201000000e-03 -4.0090000000e-04 -2.7473000000e-03  1.4541000000e-03  1.5800000000e-03 -2.0147000000e-03  1.8492000000e-03 -2.2035000000e-03  4.5361000000e-03 -3.8290000000e-04  4.6357000000e-03 -1.0589000000e-03 -2.0319000000e-03
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3303500000e-01 -4.7119600000e-01  1.6065000000e-02 -6.4137100000e-01 -6.5570700000e-01 -2.7372000000e-01 -1.4117040000e+00 -2.2189820000e+00 -1.4127660000e+00 -2.2129290000e+00 -2.6937720000e+00 -1.1917570000e+00 -1.5668840000e+00 -1.8844570000e+00 -2.2960810000e+00
+ENERGY -1.526615183290e+02
+FORCES -1.9084000000e-03 -9.2519000000e-03 -3.3916000000e-03 -1.9448000000e-03  2.1645000000e-03  1.3340000000e-04  3.4268000000e-03  7.8448000000e-03  4.0047000000e-03 -3.5105000000e-03 -1.4591000000e-03 -3.9567000000e-03  3.7227000000e-03  2.6369000000e-03 -1.4923000000e-03  2.1410000000e-04 -1.9352000000e-03  4.7025000000e-03
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8991100000e-01 -6.5604300000e-01 -9.9309000000e-02 -3.7965100000e-01  8.0330700000e-01 -3.5608300000e-01 -1.0456560000e+00  2.1857720000e+00 -1.5706530000e+00 -1.1184200000e+00  3.0650580000e+00 -1.1994480000e+00 -7.0447400000e-01  2.3256620000e+00 -2.4539750000e+00
+ENERGY -1.526615748996e+02
+FORCES -6.2267000000e-03  6.2344000000e-03 -6.1684000000e-03  2.1140000000e-03  1.7842000000e-03  1.6650000000e-04  3.2835000000e-03 -6.4018000000e-03  6.9685000000e-03  2.3797000000e-03  2.0900000000e-03 -3.1250000000e-03  8.7900000000e-04 -4.5218000000e-03 -1.9387000000e-03 -2.4295000000e-03  8.1500000000e-04  4.0970000000e-03
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5260400000e-01  5.9048800000e-01  3.3810000000e-02  3.0205400000e-01 -7.9876800000e-01  4.3239500000e-01 -2.7163710000e+00  6.3547700000e-01  1.5130700000e-01 -1.8237990000e+00  3.3051800000e-01 -1.1630000000e-02 -3.2578800000e+00  1.2586300000e-01 -4.5143100000e-01
+ENERGY -1.526613152050e+02
+FORCES  3.4660000000e-04  2.0076000000e-03  2.4986000000e-03 -2.1446000000e-03 -4.2988000000e-03  3.3730000000e-04 -8.5050000000e-04  4.0906000000e-03 -2.3595000000e-03  1.0159800000e-02 -2.9326000000e-03 -2.3769000000e-03 -1.0290100000e-02  3.7830000000e-04  1.0770000000e-04  2.7788000000e-03  7.5490000000e-04  1.7928000000e-03
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8618800000e-01 -3.2882500000e-01 -1.5092400000e-01  2.1517000000e-02  8.4594500000e-01 -4.4737700000e-01  6.9209000000e-01  2.0295000000e-01  2.6677230000e+00 -5.2468000000e-02 -2.9572500000e-01  3.0041570000e+00  5.5993900000e-01  2.2143900000e-01  1.7198690000e+00
+ENERGY -1.526597510418e+02
+FORCES -3.0597000000e-03  1.1869000000e-03  1.9822000000e-03  4.3354000000e-03  2.2587000000e-03  6.7730000000e-04 -4.7710000000e-04 -4.5399000000e-03  3.3655000000e-03 -5.6241000000e-03 -3.3546000000e-03 -1.3699000000e-02  1.5488000000e-03  1.2620000000e-03 -9.0820000000e-04  3.2768000000e-03  3.1869000000e-03  8.5822000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0011000000e-01  6.5179500000e-01 -3.5230000000e-02  3.8500900000e-01 -7.4066600000e-01  4.6841600000e-01  9.9322700000e-01 -2.2009780000e+00  1.3292230000e+00  7.2042800000e-01 -3.0590040000e+00  1.0042560000e+00  8.2908000000e-01 -2.2379450000e+00  2.2715180000e+00
+ENERGY -1.526616828413e+02
+FORCES  6.9465000000e-03 -9.7629000000e-03  6.1763000000e-03 -1.5700000000e-03 -2.3914000000e-03  9.2060000000e-04 -3.8192000000e-03  8.6686000000e-03 -4.7539000000e-03 -3.6310000000e-03 -7.0100000000e-05 -2.4700000000e-04  1.2896000000e-03  4.0725000000e-03  2.9079000000e-03  7.8400000000e-04 -5.1670000000e-04 -5.0038000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5282200000e-01 -5.7194200000e-01  1.4957600000e-01  1.2752400000e-01 -1.4282000000e-02 -9.4856000000e-01 -1.0413460000e+00 -2.4104600000e-01  3.3903760000e+00 -1.8589410000e+00 -7.3806000000e-01  3.4177160000e+00 -1.3059480000e+00  6.4229500000e-01  3.1336160000e+00
+ENERGY -1.526541673968e+02
+FORCES -2.1006000000e-03 -3.4555000000e-03 -2.4055000000e-03  2.2634000000e-03  2.9080000000e-03 -2.0608000000e-03 -5.5090000000e-04  6.8100000000e-05  4.1504000000e-03 -3.2874000000e-03  2.9152000000e-03 -2.4710000000e-04  3.5255000000e-03  1.7451000000e-03 -1.1427000000e-03  1.4990000000e-04 -4.1808000000e-03  1.7056000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3386700000e-01  7.8491000000e-01  1.2301600000e-01  4.4778300000e-01 -6.7678800000e-01  5.0762200000e-01  1.6960160000e+00  1.0412560000e+00  3.2268290000e+00  1.7843320000e+00  1.9260020000e+00  3.5813110000e+00  1.7899470000e+00  1.1513420000e+00  2.2806320000e+00
+ENERGY -1.526525769696e+02
+FORCES  2.8687000000e-03 -4.6810000000e-04  2.8238000000e-03 -9.3270000000e-04 -3.0040000000e-03  7.1690000000e-04 -1.3543000000e-03  3.6809000000e-03 -2.8947000000e-03  5.8570000000e-04  4.9087000000e-03 -1.2627000000e-03 -2.8210000000e-04 -3.8955000000e-03 -1.6986000000e-03 -8.8540000000e-04 -1.2220000000e-03  2.3152000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2905500000e-01 -3.2948900000e-01  3.4689500000e-01 -2.1211200000e-01  3.0051100000e-01 -8.8370400000e-01  2.0538210000e+00 -1.4902700000e+00  5.3473800000e-01  1.3478750000e+00 -1.0426910000e+00  6.8322000000e-02  1.9505250000e+00 -1.2166520000e+00  1.4461630000e+00
+ENERGY -1.526567126166e+02
+FORCES  5.5742000000e-03 -7.0979000000e-03  2.5806000000e-03  4.4887000000e-03  2.4019000000e-03 -2.2054000000e-03  1.6358000000e-03 -3.4818000000e-03  4.8997000000e-03 -1.7116600000e-02  1.4368500000e-02 -1.6810000000e-03  5.0486000000e-03 -4.3538000000e-03 -2.5086000000e-03  3.6940000000e-04 -1.8369000000e-03 -1.0852000000e-03
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6762000000e-01  3.8657700000e-01 -1.1843100000e-01  5.6167300000e-01  7.3847900000e-01  2.3537800000e-01 -2.5740800000e+00  9.2136500000e-01  2.3434800000e-01 -3.2437230000e+00  2.4252500000e-01  1.5076300000e-01 -2.9264500000e+00  1.6671550000e+00 -2.5131200000e-01
+ENERGY -1.526602826509e+02
+FORCES -1.1959800000e-02  6.8028000000e-03  2.5435000000e-03  9.1786000000e-03 -3.1358000000e-03 -2.6231000000e-03 -2.2027000000e-03 -1.4351000000e-03 -1.0418000000e-03 -3.5900000000e-04 -2.4788000000e-03 -8.8720000000e-04  3.0472000000e-03  4.4638000000e-03 -3.0630000000e-04  2.2958000000e-03 -4.2169000000e-03  2.3149000000e-03
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1548200000e-01 -4.4760700000e-01  2.2554300000e-01 -1.2329000000e-01  2.8095600000e-01 -9.0669500000e-01  2.0754440000e+00 -1.7042370000e+00  4.4194000000e-01  1.3085440000e+00 -1.1933960000e+00  1.8283000000e-01  2.1338750000e+00 -1.5853580000e+00  1.3899300000e+00
+ENERGY -1.526600638710e+02
+FORCES  5.6790000000e-04 -1.9898000000e-03 -1.5294000000e-03  5.5235000000e-03  1.6171000000e-03 -1.4756000000e-03  2.9370000000e-04 -2.6398000000e-03  5.0656000000e-03 -1.1516500000e-02  1.1828000000e-02 -4.1100000000e-05  5.8559000000e-03 -8.0621000000e-03  2.7940000000e-04 -7.2450000000e-04 -7.5340000000e-04 -2.2989000000e-03
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7158200000e-01  1.4239400000e-01  6.6703300000e-01  9.9786000000e-02 -9.5110600000e-01 -4.0883000000e-02  2.0071870000e+00  1.7590400000e+00  1.7629000000e-01  1.2642170000e+00  1.1560180000e+00  1.5195100000e-01  1.6769590000e+00  2.5630320000e+00 -2.2468000000e-01
+ENERGY -1.526600327332e+02
+FORCES  5.5187000000e-03  1.0925000000e-03  1.8418000000e-03  4.1799000000e-03 -7.1820000000e-04 -3.5639000000e-03 -2.2644000000e-03  4.6647000000e-03  1.1192000000e-03 -1.2473400000e-02 -1.0047600000e-02 -3.0258000000e-03  5.4958000000e-03  7.7301000000e-03  2.1750000000e-03 -4.5640000000e-04 -2.7214000000e-03  1.4537000000e-03
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7003000000e-01 -3.6290400000e-01  4.3770700000e-01 -2.4739100000e-01  4.3904000000e-02 -9.2363500000e-01 -8.1524000000e-01 -5.7277000000e-02 -2.5790730000e+00 -1.5414140000e+00 -6.7999800000e-01 -2.6125440000e+00 -1.1261610000e+00  7.0078700000e-01 -3.0739450000e+00
+ENERGY -1.526593490864e+02
+FORCES -6.1446000000e-03 -2.7730000000e-04 -1.4716600000e-02  1.5012000000e-03  5.2900000000e-04 -2.3384000000e-03  2.0694000000e-03 -7.3380000000e-04  9.5809000000e-03 -1.3795000000e-03  1.0016000000e-03  3.8437000000e-03  3.3426000000e-03  4.2417000000e-03  1.2408000000e-03  6.1090000000e-04 -4.7611000000e-03  2.3896000000e-03
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6218300000e-01  6.9088900000e-01  2.0442000000e-02  3.8456000000e-01 -7.1603400000e-01  5.0560900000e-01  2.8953030000e+00 -1.0054180000e+00 -1.5562040000e+00  2.1720050000e+00 -1.6296200000e+00 -1.4975150000e+00  2.5625440000e+00 -3.0452400000e-01 -2.1167850000e+00
+ENERGY -1.526563646863e+02
+FORCES  5.6588000000e-03  5.1020000000e-04  3.6307000000e-03 -3.6794000000e-03 -2.1557000000e-03 -8.6030000000e-04 -2.3805000000e-03  1.9285000000e-03 -2.8480000000e-03 -5.8668000000e-03  1.2080000000e-04 -3.4996000000e-03  3.9144000000e-03  1.6973000000e-03  9.2420000000e-04  2.3534000000e-03 -2.1011000000e-03  2.6530000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7099900000e-01  8.7882700000e-01  2.6543200000e-01  1.2547800000e-01 -1.3503000000e-02 -9.4884400000e-01  3.0971800000e-01  6.4653100000e-01 -2.8845740000e+00  2.4246100000e-01  1.5998930000e+00 -2.8315750000e+00  1.1918720000e+00  4.8645000000e-01 -3.2198510000e+00
+ENERGY -1.526601072848e+02
+FORCES  1.5539000000e-03  3.9694000000e-03 -9.3776000000e-03 -8.4450000000e-04 -2.2302000000e-03 -8.2870000000e-04  1.5900000000e-05 -2.0917000000e-03  9.7769000000e-03  2.5616000000e-03  4.1309000000e-03 -2.9655000000e-03  1.1584000000e-03 -4.9456000000e-03  7.6310000000e-04 -4.4454000000e-03  1.1672000000e-03  2.6318000000e-03
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1411600000e-01  2.7286100000e-01  7.8556000000e-02  4.8774200000e-01  6.4447100000e-01  5.1283200000e-01 -2.4487350000e+00  9.6169900000e-01  2.4991500000e-01 -3.1459780000e+00  3.0637300000e-01  2.2475900000e-01 -2.8476950000e+00  1.7507870000e+00 -1.1669500000e-01
+ENERGY -1.526590000972e+02
+FORCES -1.5540900000e-02  8.9338000000e-03  3.0963000000e-03  5.5911000000e-03 -5.8029000000e-03  3.4800000000e-05 -1.4090000000e-03 -1.0009000000e-03 -1.5933000000e-03  7.2758000000e-03 -1.6633000000e-03 -3.4364000000e-03  3.9716000000e-03  3.9939000000e-03 -7.1440000000e-04  1.1150000000e-04 -4.4606000000e-03  2.6130000000e-03
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0762600000e-01  4.7909700000e-01 -1.8557500000e-01  2.9431800000e-01 -8.3236600000e-01  3.6983200000e-01 -8.6585600000e-01  6.7909000000e-02 -2.3880160000e+00 -2.4620800000e-01  6.9991300000e-01 -2.7524880000e+00 -5.9594000000e-01 -3.3856000000e-02 -1.4753160000e+00
+ENERGY -1.526539695194e+02
+FORCES -2.2640000000e-03 -1.2326000000e-03 -1.4506700000e-02 -5.5916000000e-03 -3.5309000000e-03 -2.0234000000e-03 -9.2490000000e-04  5.2607000000e-03 -2.9276000000e-03  8.1530000000e-03 -4.1450000000e-04  2.4576500000e-02 -1.1470000000e-04 -1.6146000000e-03  3.3599000000e-03  7.4210000000e-04  1.5318000000e-03 -8.4788000000e-03
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1753000000e-01  7.2362000000e-01  1.0612700000e-01  4.4997100000e-01 -7.5659000000e-01  3.7593800000e-01 -1.0862950000e+00  6.5843000000e-02 -2.7814140000e+00 -3.6076000000e-01  4.0554100000e-01 -3.3052810000e+00 -7.8263900000e-01  1.3668600000e-01 -1.8764250000e+00
+ENERGY -1.526607227716e+02
+FORCES  4.0810000000e-03 -2.1604000000e-03  3.1714000000e-03 -2.8523000000e-03 -3.8782000000e-03 -1.8636000000e-03 -1.2761000000e-03  4.5037000000e-03 -9.8190000000e-04  5.0981000000e-03  2.0360000000e-04  7.3583000000e-03 -1.9486000000e-03 -8.1690000000e-04  2.0643000000e-03 -3.1020000000e-03  2.1482000000e-03 -9.7485000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6766000000e-01 -8.1163800000e-01 -4.7892200000e-01 -8.0536000000e-02 -2.4436300000e-01  9.2197200000e-01 -1.0970710000e+00  2.4308920000e+00 -1.1328350000e+00 -3.7758000000e-01  3.0601150000e+00 -1.0814430000e+00 -7.7184100000e-01  1.6564380000e+00 -6.7383800000e-01
+ENERGY -1.526620848748e+02
+FORCES -1.3304000000e-03 -3.8709000000e-03  5.4000000000e-04  9.4560000000e-04  3.3821000000e-03  3.4782000000e-03  4.2730000000e-04  6.4350000000e-04 -4.7564000000e-03  6.3221000000e-03 -7.0270000000e-03  4.2416000000e-03 -2.0771000000e-03 -1.8939000000e-03  1.6230000000e-04 -4.2875000000e-03  8.7663000000e-03 -3.6656000000e-03
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5085300000e-01 -5.8601300000e-01  9.5081000000e-02 -3.3652000000e-01  7.4155400000e-01 -5.0307400000e-01 -2.2357690000e+00 -1.6683670000e+00 -2.6009700000e-01 -1.9431420000e+00 -2.5786380000e+00 -3.0489900000e-01 -3.0876500000e+00 -1.7112420000e+00  1.7428900000e-01
+ENERGY -1.526611049164e+02
+FORCES -1.1829800000e-02 -4.7434000000e-03 -2.7987000000e-03  8.5827000000e-03  3.4876000000e-03  1.4414000000e-03  1.1179000000e-03 -1.4959000000e-03  1.6394000000e-03 -1.4840000000e-04 -1.6224000000e-03  1.1350000000e-03 -1.8605000000e-03  5.0295000000e-03  1.2032000000e-03  4.1381000000e-03 -6.5550000000e-04 -2.6203000000e-03
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6604400000e-01 -6.8730200000e-01  1.5262000000e-02 -3.6774300000e-01  6.7801000000e-01 -5.6683300000e-01 -2.4373060000e+00 -1.7251640000e+00 -1.8034600000e-01 -2.1271720000e+00 -2.6267100000e+00 -2.6557300000e-01 -3.1688730000e+00 -1.7801460000e+00  4.3448700000e-01
+ENERGY -1.526610211660e+02
+FORCES -9.6784000000e-03 -2.7139000000e-03 -2.3989000000e-03  9.0495000000e-03  2.5657000000e-03  2.9000000000e-04  1.8496000000e-03 -1.2620000000e-03  1.8077000000e-03 -3.7636000000e-03 -3.2005000000e-03  2.5127000000e-03 -5.9870000000e-04  5.3395000000e-03  1.2176000000e-03  3.1416000000e-03 -7.2880000000e-04 -3.4291000000e-03
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4266500000e-01 -5.9191100000e-01  1.1967200000e-01 -3.7324600000e-01  7.6948300000e-01 -4.2990100000e-01 -1.6808860000e+00 -9.7262000000e-01 -2.9211740000e+00 -1.9184780000e+00 -1.8508550000e+00 -3.2186380000e+00 -1.7063460000e+00 -1.0277240000e+00 -1.9659010000e+00
+ENERGY -1.526525446781e+02
+FORCES -3.1686000000e-03  2.2379000000e-03 -8.7090000000e-04  2.1813000000e-03  1.7620000000e-03 -3.2208000000e-03  1.1058000000e-03 -4.2587000000e-03  2.5313000000e-03  3.2710000000e-04 -4.5549000000e-03  2.1556000000e-03  9.4610000000e-04  3.7837000000e-03  1.4876000000e-03 -1.3917000000e-03  1.0300000000e-03 -2.0830000000e-03
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3778000000e-02 -8.9644900000e-01 -3.3124000000e-01 -3.5947000000e-02 -9.3344000000e-02  9.5195900000e-01  1.6689510000e+00  8.3926200000e-01 -3.2155810000e+00  1.0369610000e+00  1.2102600000e-01 -3.1846500000e+00  1.2519520000e+00  1.5023270000e+00 -3.7657520000e+00
+ENERGY -1.526530328253e+02
+FORCES  5.1170000000e-04 -3.7777000000e-03  3.3641000000e-03 -4.9600000000e-05  3.8535000000e-03  2.9810000000e-04  1.1300000000e-05  4.3420000000e-04 -3.9896000000e-03 -5.2430000000e-03  3.8960000000e-04 -4.6120000000e-04  2.8140000000e-03  1.7667000000e-03 -1.0100000000e-03  1.9556000000e-03 -2.6662000000e-03  1.7986000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9897000000e-02 -8.2578400000e-01 -4.8033800000e-01 -3.5786100000e-01 -1.9911300000e-01  8.6517100000e-01  2.6413060000e+00  1.2024470000e+00 -4.2648400000e-01  1.8757190000e+00  7.9561600000e-01 -2.0778000000e-02  2.3758270000e+00  1.3638010000e+00 -1.3318670000e+00
+ENERGY -1.526607825789e+02
+FORCES -2.3131000000e-03 -4.1140000000e-03  5.3230000000e-04  1.8700000000e-04  4.2553000000e-03  2.5669000000e-03  2.4879000000e-03  5.6940000000e-04 -4.3963000000e-03 -1.1053400000e-02 -2.9351000000e-03 -9.8690000000e-04  8.7804000000e-03  2.8458000000e-03  3.7850000000e-04  1.9113000000e-03 -6.2130000000e-04  1.9054000000e-03
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0092100000e-01  7.4124100000e-01  7.5416000000e-02  2.6307100000e-01 -5.9464600000e-01  7.0244000000e-01  1.8410290000e+00  1.8555100000e+00  5.8683900000e-01  2.6903620000e+00  1.8001510000e+00  1.4888800000e-01  1.6146640000e+00  2.7850100000e+00  5.5487400000e-01
+ENERGY -1.526600001222e+02
+FORCES  1.2582700000e-02  1.0676300000e-02  6.3542000000e-03 -6.4722000000e-03 -4.8340000000e-03 -3.3577000000e-03 -4.9470000000e-04  9.3720000000e-04 -2.0093000000e-03 -2.5876000000e-03 -2.5236000000e-03 -2.6818000000e-03 -4.7441000000e-03  1.0323000000e-03  2.4535000000e-03  1.7159000000e-03 -5.2883000000e-03 -7.5890000000e-04
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0981800000e-01 -5.0856000000e-01 -4.2342000000e-02 -2.4312100000e-01  8.6607600000e-01 -3.2716300000e-01 -1.4729970000e+00 -6.9306600000e-01 -2.9458150000e+00 -1.5354710000e+00 -1.6252980000e+00 -3.1538350000e+00 -1.7669940000e+00 -6.2972400000e-01 -2.0370880000e+00
+ENERGY -1.526511427432e+02
+FORCES -2.8223000000e-03  2.1002000000e-03 -2.6038000000e-03  1.6168000000e-03  1.8934000000e-03 -2.2180000000e-03  2.3260000000e-04 -4.2191000000e-03  2.1835000000e-03  2.9540000000e-04 -4.2566000000e-03  2.7510000000e-03 -4.6000000000e-05  4.1051000000e-03  1.0622000000e-03  7.2350000000e-04  3.7690000000e-04 -1.1749000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8546400000e-01 -4.1271400000e-01  3.5909100000e-01 -1.6074700000e-01  4.2349000000e-02 -9.4265500000e-01 -2.5326290000e+00 -1.1378980000e+00  3.7222400000e-01 -2.7968660000e+00 -2.0148380000e+00  9.4042000000e-02 -2.8015380000e+00 -1.0858660000e+00  1.2894010000e+00
+ENERGY -1.526599126886e+02
+FORCES -1.3124000000e-02 -5.3360000000e-03 -2.1341000000e-03  7.3690000000e-03  3.9444000000e-03  3.1086000000e-03  1.7519000000e-03 -3.6200000000e-05  1.8716000000e-03  3.0120000000e-04 -2.6030000000e-03  2.7740000000e-04  4.7390000000e-04  4.5904000000e-03  1.8088000000e-03  3.2280000000e-03 -5.5950000000e-04 -4.9323000000e-03
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0644000000e-02 -8.0971700000e-01 -5.1006300000e-01 -1.7166700000e-01 -2.8587300000e-01  8.9723900000e-01 -1.8029810000e+00  2.1553740000e+00  2.3007530000e+00 -1.0732730000e+00  2.6078150000e+00  1.8776040000e+00 -1.5083150000e+00  2.0138070000e+00  3.2003990000e+00
+ENERGY -1.526553882582e+02
+FORCES -2.0951000000e-03 -4.4996000000e-03  1.7317000000e-03 -6.4900000000e-05  3.1534000000e-03  2.1657000000e-03  2.5545000000e-03  5.0710000000e-04 -3.8307000000e-03  3.8481000000e-03  2.8803000000e-03  7.9060000000e-04 -3.2771000000e-03 -1.6945000000e-03  3.1368000000e-03 -9.6550000000e-04 -3.4680000000e-04 -3.9942000000e-03
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0236400000e-01  5.1184300000e-01 -1.0228000000e-01  3.0002400000e-01 -8.6074300000e-01  2.9213000000e-01  1.6076800000e+00  5.3101200000e-01  2.7664430000e+00  1.7003780000e+00  1.4644340000e+00  2.9571300000e+00  2.1311720000e+00  3.9423100000e-01  1.9768360000e+00
+ENERGY -1.526512197011e+02
+FORCES  3.8728000000e-03 -1.2915000000e-03  4.2085000000e-03 -1.5698000000e-03 -2.0365000000e-03  6.0680000000e-04 -3.8040000000e-04  3.4247000000e-03 -2.5901000000e-03  6.6130000000e-04  3.9892000000e-03 -2.5669000000e-03 -8.2000000000e-06 -4.0566000000e-03 -1.0462000000e-03 -2.5756000000e-03 -2.9300000000e-05  1.3879000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0934600000e-01  2.9092200000e-01  6.8457000000e-02  5.0374500000e-01  6.7954600000e-01  4.4798400000e-01  1.2032910000e+00  2.2594410000e+00  1.2445950000e+00  2.0370330000e+00  2.6466800000e+00  9.7785100000e-01  1.3234370000e+00  2.0447480000e+00  2.1696380000e+00
+ENERGY -1.526613967348e+02
+FORCES  2.4912000000e-03  1.1246700000e-02  4.3227000000e-03  2.4023000000e-03 -1.1936000000e-03  1.3720000000e-04 -3.5984000000e-03 -9.2900000000e-03 -2.1708000000e-03  3.3245000000e-03  9.0310000000e-04  8.1900000000e-04 -3.9891000000e-03 -1.9170000000e-03  2.4775000000e-03 -6.3050000000e-04  2.5090000000e-04 -5.5856000000e-03
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3396400000e-01 -7.1487800000e-01 -5.7185000000e-02 -5.0886400000e-01  7.8789000000e-01 -1.9109900000e-01  1.4387160000e+00  2.8299580000e+00  9.3590100000e-01  2.1261510000e+00  2.2661070000e+00  1.2904940000e+00  1.3475380000e+00  2.5528730000e+00  2.4231000000e-02
+ENERGY -1.526556956884e+02
+FORCES -5.6631000000e-03  2.9040000000e-04  2.7720000000e-04  2.5474000000e-03  3.1502000000e-03  5.1790000000e-04  3.1469000000e-03 -3.3727000000e-03 -1.2658000000e-03  3.3233000000e-03 -6.1554000000e-03 -1.7198000000e-03 -1.7457000000e-03  3.7692000000e-03 -9.2560000000e-04 -1.6089000000e-03  2.3183000000e-03  3.1161000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7370300000e-01  3.6851500000e-01 -4.2639500000e-01  2.2584200000e-01 -2.1531000000e-02  9.2992700000e-01  6.4927300000e-01 -1.7980000000e-03  2.8528030000e+00  1.2781450000e+00  7.1969800000e-01  2.8667940000e+00  1.1195560000e+00 -7.3769400000e-01  3.2446210000e+00
+ENERGY -1.526604525633e+02
+FORCES  3.5816000000e-03  5.4100000000e-05  9.0713000000e-03 -1.9910000000e-03 -8.5090000000e-04  2.3710000000e-03 -6.0400000000e-04  1.7848000000e-03 -1.0939600000e-02  3.7465000000e-03 -9.3840000000e-04  3.5938000000e-03 -3.0166000000e-03 -4.4878000000e-03 -2.2271000000e-03 -1.7165000000e-03  4.4382000000e-03 -1.8695000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5158100000e-01 -3.0171800000e-01  5.1022000000e-01 -3.0788200000e-01 -4.3410000000e-03 -9.0632300000e-01 -2.6525600000e+00 -8.5696100000e-01  2.7111100000e-01 -2.7474460000e+00 -1.7009800000e+00 -1.7031900000e-01 -2.8169140000e+00 -1.0491530000e+00  1.1943020000e+00
+ENERGY -1.526574498430e+02
+FORCES -1.5081300000e-02 -3.1365000000e-03 -2.2223000000e-03  6.5359000000e-03  6.9310000000e-04  4.5749000000e-03  3.1315000000e-03 -1.6890000000e-04  8.2670000000e-04  5.8670000000e-04 -3.4096000000e-03 -4.0620000000e-04  7.8730000000e-04  4.6251000000e-03  2.1644000000e-03  4.0398000000e-03  1.3969000000e-03 -4.9375000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9387500000e-01  6.0871100000e-01  2.5345500000e-01  1.6348500000e-01 -7.8278500000e-01  5.2607300000e-01 -1.8347530000e+00 -2.8828990000e+00 -5.8438800000e-01 -2.5262110000e+00 -2.4033220000e+00 -1.0405930000e+00 -1.8018740000e+00 -2.4863450000e+00  2.8618400000e-01
+ENERGY -1.526543289643e+02
+FORCES  4.7623000000e-03 -1.1629000000e-03  2.1937000000e-03 -2.9496000000e-03 -2.6892000000e-03 -1.2252000000e-03 -2.1767000000e-03  3.6678000000e-03 -5.5700000000e-04 -3.3341000000e-03  5.4364000000e-03  3.5580000000e-04  2.0171000000e-03 -3.1357000000e-03  1.8638000000e-03  1.6809000000e-03 -2.1165000000e-03 -2.6311000000e-03
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5557500000e-01 -4.3063000000e-02 -3.5411000000e-02 -2.9347200000e-01 -6.7072200000e-01 -6.1663400000e-01 -3.7283200000e-01  2.6190680000e+00 -4.3445000000e-01 -1.2042110000e+00  2.9227340000e+00 -6.9994000000e-02 -4.8021800000e-01  1.6718070000e+00 -5.2044900000e-01
+ENERGY -1.526592614513e+02
+FORCES  4.6588000000e-03  3.6082000000e-03 -2.0050000000e-04 -5.5847000000e-03 -1.0512000000e-03 -7.6770000000e-04  1.1658000000e-03  5.4949000000e-03  2.3386000000e-03 -3.8960000000e-04 -1.4707700000e-02  4.0520000000e-03  2.0807000000e-03 -2.2374000000e-03 -1.1538000000e-03 -1.9309000000e-03  8.8932000000e-03 -4.2686000000e-03
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3453500000e-01  6.1209700000e-01  4.5029000000e-02  2.9160700000e-01 -7.6204800000e-01  5.0048000000e-01  1.0768250000e+00 -2.1217340000e+00  1.2774420000e+00  1.0691000000e+00 -2.9861910000e+00  8.6648300000e-01  7.5726900000e-01 -2.2757880000e+00  2.1664770000e+00
+ENERGY -1.526606939309e+02
+FORCES  8.8240000000e-03 -1.1516200000e-02  7.3405000000e-03 -1.8159000000e-03 -1.7173000000e-03  2.3550000000e-04 -5.0640000000e-03  7.5483000000e-03 -3.0244000000e-03 -3.0485000000e-03  9.7190000000e-04 -2.6663000000e-03 -1.5710000000e-04  4.0379000000e-03  3.5108000000e-03  1.2615000000e-03  6.7540000000e-04 -5.3961000000e-03
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0270600000e-01 -2.4824000000e-01 -1.9932600000e-01 -5.3401200000e-01 -6.5124700000e-01 -4.5490600000e-01 -2.3673080000e+00 -1.9726770000e+00  2.1486880000e+00 -3.1488630000e+00 -2.5196230000e+00  2.0696060000e+00 -2.6210900000e+00 -1.1342510000e+00  1.7628540000e+00
+ENERGY -1.526548967327e+02
+FORCES  2.4358000000e-03 -4.8476000000e-03 -1.8776000000e-03 -3.5302000000e-03  1.2694000000e-03  3.2790000000e-04  1.4790000000e-03  3.6887000000e-03  1.3391000000e-03 -4.0302000000e-03  2.2911000000e-03 -6.9220000000e-04  3.4988000000e-03  2.2092000000e-03 -3.4800000000e-05  1.4690000000e-04 -4.6109000000e-03  9.3750000000e-04
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4456300000e-01 -6.8525200000e-01 -1.7663700000e-01 -3.6772700000e-01  7.8550600000e-01 -4.0495600000e-01  8.4151900000e-01 -3.9629000000e-02  2.5914030000e+00  1.6665700000e-01 -5.0884700000e-01  3.0819400000e+00  4.3996300000e-01  1.3838100000e-01  1.7409350000e+00
+ENERGY -1.526593260939e+02
+FORCES -1.2112000000e-03 -1.4963000000e-03  1.3516000000e-03  2.6540000000e-03  4.4442000000e-03  1.3992000000e-03  1.4370000000e-03 -4.5748000000e-03  3.1140000000e-03 -5.8340000000e-03 -4.6760000000e-04 -1.3303700000e-02  1.3348000000e-03  9.5070000000e-04 -2.6800000000e-03  1.6194000000e-03  1.1438000000e-03  1.0118900000e-02
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1858000000e-02 -9.2495500000e-01 -2.4606800000e-01 -3.1005000000e-01  3.4630000000e-03  9.0558800000e-01 -1.4197820000e+00  1.8318010000e+00 -1.3829860000e+00 -8.9622500000e-01  2.6101920000e+00 -1.5733220000e+00 -8.5004700000e-01  1.2859980000e+00 -8.4101500000e-01
+ENERGY -1.526606106358e+02
+FORCES -4.7825000000e-03 -4.4880000000e-04 -3.3312000000e-03  2.8580000000e-04  3.9586000000e-03  3.2461000000e-03  1.1115000000e-03  1.9550000000e-04 -5.4700000000e-03  9.3735000000e-03 -9.2983000000e-03  6.2830000000e-03 -4.8180000000e-04 -3.0355000000e-03  1.5314000000e-03 -5.5064000000e-03  8.6285000000e-03 -2.2593000000e-03
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5638400000e-01 -8.7102400000e-01  3.0301200000e-01 -9.2220700000e-01  7.7340000000e-02  2.4450700000e-01 -2.5289660000e+00  7.7106500000e-01  6.8511200000e-01 -3.3455040000e+00  2.9397400000e-01  8.3303700000e-01 -2.7818260000e+00  1.5164330000e+00  1.4039100000e-01
+ENERGY -1.526607186972e+02
+FORCES -1.1923500000e-02  1.6866000000e-03  4.6429000000e-03 -2.3464000000e-03  2.3446000000e-03 -4.0480000000e-04  9.3033000000e-03 -3.0424000000e-03 -3.2284000000e-03  1.1604000000e-03  6.6750000000e-04 -2.9797000000e-03  3.8186000000e-03  2.7754000000e-03 -1.0809000000e-03 -1.2500000000e-05 -4.4317000000e-03  3.0509000000e-03
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9944600000e-01  6.0662000000e-01 -4.3463700000e-01  3.4270200000e-01 -7.9507000000e-02  8.9020600000e-01  2.6170170000e+00  1.2703770000e+00 -4.3194400000e-01  2.7193870000e+00  2.2199240000e+00 -3.6781000000e-01  2.6983460000e+00  1.0828470000e+00 -1.3670640000e+00
+ENERGY -1.526588590606e+02
+FORCES  1.1056300000e-02  4.5957000000e-03  2.5610000000e-03 -6.9132000000e-03 -2.4094000000e-03 -3.0225000000e-03 -3.0878000000e-03 -6.4300000000e-04 -1.6092000000e-03  3.4009000000e-03  2.0845000000e-03 -2.6342000000e-03 -1.4523000000e-03 -5.0558000000e-03 -4.9250000000e-04 -3.0040000000e-03  1.4279000000e-03  5.1974000000e-03
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4352100000e-01 -7.0837500000e-01 -1.7815000000e-02 -4.8770900000e-01  7.7439600000e-01 -2.8050400000e-01 -3.2064300000e-01  2.8218790000e+00  2.1132750000e+00  5.6454400000e-01  2.5771750000e+00  1.8434690000e+00 -3.7335200000e-01  3.7616760000e+00  1.9393960000e+00
+ENERGY -1.526561680396e+02
+FORCES -5.9734000000e-03  4.9040000000e-04 -1.8100000000e-05  2.5684000000e-03  2.5895000000e-03 -4.1280000000e-04  3.0572000000e-03 -3.6780000000e-03 -3.9960000000e-04  4.6059000000e-03  2.0910000000e-03 -2.1660000000e-04 -4.2437000000e-03  2.7084000000e-03  8.9640000000e-04 -1.4500000000e-05 -4.2012000000e-03  1.5070000000e-04
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3279000000e-02 -8.3419700000e-01 -4.6365600000e-01 -4.4481000000e-02 -2.3575900000e-01  9.2664500000e-01  2.4785500000e+00  1.1572940000e+00 -6.1390000000e-01  1.7120200000e+00  6.8906200000e-01 -2.8311100000e-01  2.2907010000e+00  1.3000560000e+00 -1.5415660000e+00
+ENERGY -1.526603138622e+02
+FORCES -1.6920000000e-04 -2.7914000000e-03  9.1120000000e-04  1.3000000000e-03  4.8054000000e-03  2.5020000000e-03  1.7153000000e-03  1.0225000000e-03 -5.5775000000e-03 -1.3742000000e-02 -4.1464000000e-03  1.9470000000e-04  9.9643000000e-03  2.0446000000e-03 -1.8480000000e-04  9.3170000000e-04 -9.3470000000e-04  2.1545000000e-03
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1198500000e-01  2.6282300000e-01 -4.3340200000e-01  2.5243200000e-01 -1.5216200000e-01  9.1069000000e-01  1.4237540000e+00 -2.6836640000e+00  4.4711900000e-01  1.3719870000e+00 -3.6227560000e+00  2.6918900000e-01  6.1546400000e-01 -2.4839710000e+00  9.1937200000e-01
+ENERGY -1.526543028464e+02
+FORCES  7.8011000000e-03 -1.2941000000e-03  1.8930000000e-04 -4.1087000000e-03  1.1202000000e-03  1.5781000000e-03 -2.6475000000e-03 -1.7099000000e-03 -2.7573000000e-03 -5.5338000000e-03 -1.9932000000e-03 -5.7520000000e-04 -5.4400000000e-05  4.0471000000e-03  4.3060000000e-04  4.5433000000e-03 -1.7000000000e-04  1.1345000000e-03
+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2735100000e-01 -2.0956100000e-01 -1.1106500000e-01 -4.6207900000e-01 -7.3450800000e-01 -4.0399600000e-01  2.7193680000e+00 -5.4795000000e-01 -5.0825400000e-01  3.3135500000e+00  1.4389900000e-01 -7.9898400000e-01  3.2738630000e+00 -1.1452460000e+00 -6.2530000000e-03
+ENERGY -1.526617845570e+02
+FORCES  1.0298500000e-02 -4.2533000000e-03 -3.5032000000e-03 -9.6282000000e-03  1.8383000000e-03  2.0447000000e-03  1.6536000000e-03  1.7303000000e-03  1.3375000000e-03  1.3982000000e-03  1.6801000000e-03  1.1753000000e-03 -1.7474000000e-03 -4.2625000000e-03  1.9199000000e-03 -1.9747000000e-03  3.2671000000e-03 -2.9743000000e-03
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8152200000e-01 -3.0952700000e-01  4.5787400000e-01 -3.2831500000e-01  3.3951800000e-01 -8.3256700000e-01  1.3355290000e+00  2.0795440000e+00  1.3076990000e+00  2.2299780000e+00  1.7512260000e+00  1.2160470000e+00  7.8885900000e-01  1.4000420000e+00  9.1316000000e-01
+ENERGY -1.526615157890e+02
+FORCES -2.6036000000e-03  8.9790000000e-04 -1.0269000000e-03  4.0871000000e-03  2.6890000000e-03 -2.6635000000e-03  1.4342000000e-03 -1.5111000000e-03  5.1809000000e-03 -3.6153000000e-03 -1.1967300000e-02 -6.3495000000e-03 -2.3047000000e-03  1.1496000000e-03  1.0740000000e-04  3.0023000000e-03  8.7420000000e-03  4.7517000000e-03
+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3683300000e-01 -4.5968400000e-01  6.8074000000e-02 -2.2571700000e-01  8.5710600000e-01 -3.6146000000e-01 -2.2652790000e+00 -1.6316390000e+00 -1.2026800000e-01 -2.1286020000e+00 -2.5626120000e+00  5.5347000000e-02 -3.1155160000e+00 -1.4354850000e+00  2.7324400000e-01
+ENERGY -1.526611358110e+02
+FORCES -1.0695600000e-02 -5.2198000000e-03 -1.9822000000e-03  7.9161000000e-03  6.5665000000e-03  1.3100000000e-03 -3.5440000000e-04 -2.6388000000e-03  1.3269000000e-03  8.2690000000e-04 -2.2228000000e-03  1.6751000000e-03 -2.1313000000e-03  4.6738000000e-03 -4.1180000000e-04  4.4382000000e-03 -1.1590000000e-03 -1.9179000000e-03
+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4043200000e-01  4.3649100000e-01 -1.3921700000e-01  2.3272100000e-01 -8.9004100000e-01  2.6438600000e-01 -2.6222890000e+00  9.7938600000e-01  2.5881000000e-01 -1.7476440000e+00  6.3786600000e-01  7.2819000000e-02 -3.2133740000e+00  2.6108600000e-01  3.3210000000e-02
+ENERGY -1.526609105835e+02
+FORCES  5.3520000000e-04  6.9360000000e-04  1.4300000000e-03 -2.9628000000e-03 -3.6173000000e-03  1.0375000000e-03 -2.4270000000e-04  4.2801000000e-03 -1.7409000000e-03  9.4825000000e-03 -5.2886000000e-03 -2.0504000000e-03 -9.2995000000e-03  2.5506000000e-03  4.2080000000e-04  2.4873000000e-03  1.3817000000e-03  9.0300000000e-04
+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2085000000e-02  9.4450600000e-01  1.3764000000e-01  2.6144600000e-01 -1.3033200000e-01 -9.1153200000e-01 -2.4404130000e+00 -8.9138200000e-01  7.6466400000e-01 -1.6298680000e+00 -3.9863200000e-01  6.3642300000e-01 -2.3883150000e+00 -1.2086260000e+00  1.6662590000e+00
+ENERGY -1.526593388446e+02
+FORCES -3.3217000000e-03 -2.2162000000e-03 -4.0016000000e-03 -2.7574000000e-03 -5.7222000000e-03 -2.2670000000e-04  3.4800000000e-05  2.2815000000e-03  4.7413000000e-03  1.4116700000e-02  3.0161000000e-03 -2.6594000000e-03 -9.0160000000e-03  9.8590000000e-04  4.7902000000e-03  9.4360000000e-04  1.6549000000e-03 -2.6438000000e-03
+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7444300000e-01 -4.5193700000e-01  3.3499600000e-01 -1.6328900000e-01  9.2344000000e-02 -9.3863800000e-01  2.1549110000e+00 -1.6457030000e+00  6.8410700000e-01  1.4743850000e+00 -1.2347790000e+00  1.5094900000e-01  1.9767230000e+00 -1.3440630000e+00  1.5748900000e+00
+ENERGY -1.526590331640e+02
+FORCES -2.4767000000e-03 -1.2559000000e-03 -1.8080000000e-04  4.9024000000e-03  1.9097000000e-03 -1.8033000000e-03  1.9108000000e-03 -2.3647000000e-03  5.2208000000e-03 -1.0737400000e-02  1.0782400000e-02 -4.7550000000e-04  5.4659000000e-03 -6.7981000000e-03 -1.4711000000e-03  9.3500000000e-04 -2.2734000000e-03 -1.2900000000e-03
+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8422400000e-01 -3.2233700000e-01  1.7457900000e-01 -2.4411000000e-02  2.8486200000e-01 -9.1350400000e-01  1.5063770000e+00  1.6783350000e+00  1.7005060000e+00  2.3457840000e+00  1.2225990000e+00  1.7632060000e+00  1.0300350000e+00  1.2106490000e+00  1.0145040000e+00
+ENERGY -1.526611346757e+02
+FORCES -3.6865000000e-03  1.5170000000e-04  8.2420000000e-04  4.0229000000e-03  1.1264000000e-03 -2.6974000000e-03  2.9820000000e-04 -7.9750000000e-04  5.3467000000e-03 -4.4205000000e-03 -8.9893000000e-03 -6.3151000000e-03 -2.4247000000e-03  1.2755000000e-03 -5.5420000000e-04  6.2105000000e-03  7.2332000000e-03  3.3957000000e-03
+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7338000000e-01  2.5803600000e-01  2.9471400000e-01 -7.5628000000e-02 -9.2066900000e-01  2.5076000000e-01 -2.8599320000e+00  5.7547700000e-01  8.9338000000e-02 -1.9153020000e+00  5.3800200000e-01 -6.0672000000e-02 -3.2230240000e+00 -8.4949000000e-02 -5.0077500000e-01
+ENERGY -1.526606573864e+02
+FORCES  2.9458000000e-03 -1.0708000000e-03  3.2923000000e-03 -3.3534000000e-03 -2.7993000000e-03 -1.1204000000e-03  1.2560000000e-04  4.6775000000e-03 -1.7968000000e-03  8.1664000000e-03 -1.4106000000e-03 -2.7875000000e-03 -9.7211000000e-03 -7.3320000000e-04  6.6500000000e-05  1.8368000000e-03  1.3364000000e-03  2.3459000000e-03
+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5986400000e-01 -9.1986000000e-01 -5.0604000000e-02 -4.0570000000e-02  2.0986200000e-01  9.3302900000e-01 -1.3378890000e+00  2.1569880000e+00 -1.4145850000e+00 -5.3749300000e-01  2.6476140000e+00 -1.2278110000e+00 -1.2143110000e+00  1.3181070000e+00 -9.7046800000e-01
+ENERGY -1.526601982020e+02
+FORCES  4.9480000000e-04 -2.8497000000e-03  3.2460000000e-03  5.5410000000e-04  5.1405000000e-03  5.9100000000e-04 -3.2280000000e-04 -7.0230000000e-04 -5.2868000000e-03  8.3635000000e-03 -7.3911000000e-03  4.9639000000e-03 -2.8728000000e-03  1.8980000000e-04 -4.2310000000e-04 -6.2169000000e-03  5.6127000000e-03 -3.0910000000e-03
+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6344100000e-01 -3.5232600000e-01  2.1579500000e-01 -4.1904000000e-02  1.7937700000e-01 -9.3930800000e-01  2.2431580000e+00 -1.4137240000e+00  8.5187800000e-01  1.4675090000e+00 -8.8453000000e-01  6.6599100000e-01  2.3168720000e+00 -1.4045500000e+00  1.8061910000e+00
+ENERGY -1.526615119389e+02
+FORCES -1.6300000000e-05 -2.8617000000e-03 -2.7788000000e-03  4.1812000000e-03  1.9725000000e-03 -1.4588000000e-03 -1.2541000000e-03 -9.9170000000e-04  4.7899000000e-03 -9.6712000000e-03  7.0820000000e-03 -1.7592000000e-03  8.3925000000e-03 -5.4956000000e-03  4.0342000000e-03 -1.6322000000e-03  2.9440000000e-04 -2.8273000000e-03
+
+JOB 60
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7350500000e-01 -9.1196600000e-01  2.3333600000e-01 -8.4702400000e-01  1.9351200000e-01  4.0166700000e-01  4.8067400000e-01 -2.6339340000e+00  5.4465900000e-01  1.3300010000e+00 -3.0238550000e+00  3.3768600000e-01 -1.5899900000e-01 -3.2380230000e+00  1.6766000000e-01
+ENERGY -1.526608627067e+02
+FORCES  1.3489000000e-03 -1.3613200000e-02  4.6081000000e-03 -2.3576000000e-03  9.7101000000e-03 -2.1253000000e-03  2.0279000000e-03 -1.8578000000e-03 -1.2805000000e-03  3.6900000000e-04  2.0270000000e-03 -3.8317000000e-03 -5.0468000000e-03  9.0380000000e-04  6.1730000000e-04  3.6587000000e-03  2.8302000000e-03  2.0122000000e-03
+
+JOB 61
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0551700000e-01 -2.7973900000e-01 -1.3422900000e-01 -5.1087700000e-01 -5.4561900000e-01 -5.9794400000e-01  2.5869860000e+00 -9.0704200000e-01 -7.5125400000e-01  3.2052310000e+00 -1.7680200000e-01 -7.2376900000e-01  2.9125070000e+00 -1.5219570000e+00 -9.3874000000e-02
+ENERGY -1.526614262487e+02
+FORCES  9.9604000000e-03 -5.7498000000e-03 -6.1578000000e-03 -8.3139000000e-03  3.8002000000e-03  5.0684000000e-03  1.0805000000e-03  1.3646000000e-03  1.9927000000e-03  3.4691000000e-03  6.1010000000e-04  1.2816000000e-03 -3.6981000000e-03 -4.1147000000e-03  8.5620000000e-04 -2.4981000000e-03  4.0896000000e-03 -3.0410000000e-03
+
+JOB 62
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2124900000e-01 -3.2269300000e-01  3.7101300000e-01 -1.4525100000e-01 -6.2290000000e-03 -9.4609500000e-01  2.2433360000e+00 -1.5849790000e+00  5.1863400000e-01  1.4087670000e+00 -1.1867420000e+00  2.7138200000e-01  2.4609150000e+00 -1.1835260000e+00  1.3598990000e+00
+ENERGY -1.526606956209e+02
+FORCES -1.8683000000e-03 -6.7030000000e-04 -1.6086000000e-03  4.9446000000e-03  1.1391000000e-03 -2.2236000000e-03  9.8490000000e-04 -1.4498000000e-03  5.6929000000e-03 -1.0319100000e-02  1.0087000000e-02  3.5100000000e-04  6.7279000000e-03 -7.4427000000e-03 -3.7370000000e-04 -4.7010000000e-04 -1.6632000000e-03 -1.8379000000e-03
+
+JOB 63
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+ENERGY -1.526553638608e+02
+FORCES -6.3606000000e-03  1.5865000000e-03  1.2850000000e-04  3.3416000000e-03  1.5028000000e-03 -6.7290000000e-04  2.9928000000e-03 -3.3243000000e-03  1.5050000000e-04  3.5609000000e-03  3.6221000000e-03  1.1388000000e-03  1.1579000000e-03 -4.0970000000e-03 -8.6850000000e-04 -4.6926000000e-03  7.0990000000e-04  1.2350000000e-04
+
+JOB 64
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5356400000e-01  4.0997900000e-01 -1.3992200000e-01  5.2264600000e-01  6.7538200000e-01  4.3235600000e-01  1.4131880000e+00  1.8345150000e+00  1.1492400000e+00  2.2067750000e+00  2.3676320000e+00  1.1019480000e+00  1.3056600000e+00  1.6463940000e+00  2.0815920000e+00
+ENERGY -1.526573297067e+02
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+
+JOB 65
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1138800000e-01 -8.5627700000e-01 -1.1739600000e-01 -1.1592100000e-01  1.9651500000e-01  9.2961100000e-01  2.4165220000e+00  1.1526730000e+00 -5.8014700000e-01  1.6706560000e+00  6.3676500000e-01 -2.7395100000e-01  2.2333290000e+00  1.3134020000e+00 -1.5058020000e+00
+ENERGY -1.526599827971e+02
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+
+JOB 66
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7611800000e-01 -9.3277700000e-01 -1.2305100000e-01 -6.1689000000e-02  1.3313800000e-01  9.4588600000e-01  2.4665850000e+00  1.1209600000e+00 -5.6707800000e-01  1.6293040000e+00  8.3324700000e-01 -2.0319100000e-01  2.2428400000e+00  1.4898120000e+00 -1.4215470000e+00
+ENERGY -1.526594489305e+02
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+
+JOB 67
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7605000000e-02  6.9712100000e-01  6.5133100000e-01  2.4073600000e-01  4.5255600000e-01 -8.0837500000e-01 -1.7293530000e+00  4.2616220000e+00 -4.5621000000e-02 -2.5346520000e+00  3.7808260000e+00  1.4558800000e-01 -1.6450690000e+00  4.2194140000e+00 -9.9816800000e-01
+ENERGY -1.526551539697e+02
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+
+JOB 68
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1563900000e-01 -3.9340000000e-01  3.1016300000e-01 -1.2308000000e-01  9.4411000000e-02 -9.4454700000e-01 -2.5240970000e+00 -1.0724060000e+00  6.3163400000e-01 -2.5511550000e+00 -1.9492440000e+00  2.4867800000e-01 -2.7036420000e+00 -1.2110290000e+00  1.5615690000e+00
+ENERGY -1.526609728535e+02
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+
+JOB 69
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8476700000e-01  6.5470700000e-01  1.3669400000e-01  2.5242400000e-01 -7.3229600000e-01  5.6236700000e-01 -1.2343140000e+00 -3.0195100000e-01 -2.7868520000e+00 -3.3430200000e-01 -3.4234000000e-02 -2.9726970000e+00 -1.2674570000e+00 -3.8714800000e-01 -1.8340270000e+00
+ENERGY -1.526595186581e+02
+FORCES  4.1168000000e-03  6.9320000000e-04  3.0643000000e-03 -2.4770000000e-03 -3.5748000000e-03 -4.9490000000e-04 -1.0338000000e-03  3.5581000000e-03 -2.7661000000e-03  5.8976000000e-03  1.5647000000e-03  7.9524000000e-03 -2.5883000000e-03 -4.2940000000e-04 -1.5635000000e-03 -3.9152000000e-03 -1.8119000000e-03 -6.1921000000e-03
+
+JOB 70
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9100000000e-02  9.5392400000e-01  2.1380000000e-03  7.7111900000e-01 -1.7566100000e-01 -5.3921300000e-01  2.3865100000e+00  2.0402110000e+00  1.7808050000e+00  2.7330530000e+00  1.1518080000e+00  1.8637500000e+00  1.5819570000e+00  2.0333590000e+00  2.2993410000e+00
+ENERGY -1.526563252077e+02
+FORCES  3.6031000000e-03  4.3559000000e-03 -3.1718000000e-03 -1.0493000000e-03 -4.3330000000e-03  5.7150000000e-04 -3.1468000000e-03 -2.6400000000e-04  2.3134000000e-03 -1.8976000000e-03 -4.7978000000e-03  3.7280000000e-03 -6.2010000000e-04  4.0234000000e-03 -7.6460000000e-04  3.1106000000e-03  1.0154000000e-03 -2.6765000000e-03
+
+JOB 71
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8832000000e-01  2.7325300000e-01 -2.2902500000e-01  8.7690000000e-02  2.2144000000e-01  9.2709600000e-01 -2.1962470000e+00  1.5992080000e+00  4.4179000000e-02 -3.0966430000e+00  1.2843710000e+00  1.2416600000e-01 -2.0954270000e+00  1.8043600000e+00 -8.8532600000e-01
+ENERGY -1.526569938799e+02
+FORCES -1.2941200000e-02  1.0047500000e-02  5.6817000000e-03  3.6863000000e-03 -3.5855000000e-03 -6.6560000000e-03  1.6403000000e-03 -1.9777000000e-03 -1.8398000000e-03  1.1404000000e-03  1.8610000000e-04 -1.9421000000e-03  5.8310000000e-03  5.4560000000e-04 -8.2900000000e-04  6.4320000000e-04 -5.2159000000e-03  5.5852000000e-03
+
+JOB 72
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6421000000e-01  3.8397600000e-01 -5.7238100000e-01  4.4628000000e-01 -1.2086900000e-01  8.3812700000e-01 -2.0519100000e+00  1.9539990000e+00 -2.3278500000e-01 -1.3701690000e+00  1.2997000000e+00 -7.9968000000e-02 -2.4216820000e+00  1.7209140000e+00 -1.0843560000e+00
+ENERGY -1.526614315054e+02
+FORCES  3.7162000000e-03  9.7960000000e-04  1.4202000000e-03 -4.4109000000e-03 -1.3471000000e-03  3.2983000000e-03 -1.7110000000e-03  1.0946000000e-03 -4.7649000000e-03  6.6515000000e-03 -1.0269300000e-02 -4.2460000000e-04 -6.0501000000e-03  8.7434000000e-03 -1.6407000000e-03  1.8043000000e-03  7.9880000000e-04  2.1117000000e-03
+
+JOB 73
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9823400000e-01 -4.4160200000e-01  4.8341400000e-01  4.8770000000e-02 -3.6835900000e-01 -8.8213700000e-01  4.9481800000e-01 -7.0687300000e-01 -2.6211670000e+00  1.3461320000e+00 -1.1434130000e+00 -2.5906880000e+00 -1.1295400000e-01 -1.3862800000e+00 -2.9131450000e+00
+ENERGY -1.526588461658e+02
+FORCES  4.1398000000e-03 -4.0087000000e-03 -1.3250600000e-02 -1.4823000000e-03  8.0630000000e-04 -2.6228000000e-03 -2.8006000000e-03 -3.9720000000e-04  1.0478200000e-02  1.9856000000e-03 -1.8674000000e-03  1.6510000000e-04 -5.3433000000e-03  1.7384000000e-03  1.3861000000e-03  3.5008000000e-03  3.7286000000e-03  3.8440000000e-03
+
+JOB 74
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2532400000e-01 -2.3867100000e-01 -5.5162000000e-02 -4.3059800000e-01 -5.5707200000e-01 -6.4845100000e-01  2.6951710000e+00 -5.6288200000e-01 -6.5109600000e-01  3.2710540000e+00  1.8835800000e-01 -5.0886500000e-01  3.1773630000e+00 -1.3066890000e+00 -2.8988600000e-01
+ENERGY -1.526614256931e+02
+FORCES  1.0589000000e-02 -4.2992000000e-03 -5.3109000000e-03 -8.9946000000e-03  2.3627000000e-03  3.8063000000e-03  9.5290000000e-04  1.2416000000e-03  2.0635000000e-03  2.5853000000e-03  1.1373000000e-03  1.2109000000e-03 -2.6679000000e-03 -4.6197000000e-03 -7.3300000000e-05 -2.4649000000e-03  4.1773000000e-03 -1.6966000000e-03
+
+JOB 75
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5837200000e-01  8.6656200000e-01 -1.9202000000e-01  8.3533400000e-01 -2.3072000000e-02 -4.6681500000e-01 -3.2204700000e-01  2.7509060000e+00 -6.5296400000e-01 -1.2324370000e+00  2.9327620000e+00 -4.1983100000e-01  1.6849600000e-01  3.4945310000e+00 -3.0278900000e-01
+ENERGY -1.526592251548e+02
+FORCES  2.6399000000e-03  1.2086000000e-02 -4.9416000000e-03 -4.5159000000e-03 -7.1824000000e-03  2.1969000000e-03 -1.6245000000e-03 -1.2622000000e-03  1.8174000000e-03  1.3277000000e-03  2.2554000000e-03  3.4293000000e-03  5.3351000000e-03 -3.2643000000e-03 -1.9340000000e-04 -3.1624000000e-03 -2.6323000000e-03 -2.3085000000e-03
+
+JOB 76
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3479000000e-01 -4.5676500000e-01  1.0355200000e-01 -5.8990500000e-01 -6.5841600000e-01 -3.6706000000e-01 -3.8637000000e-01  2.8960170000e+00  1.9815900000e-01 -1.9939800000e-01  1.9721370000e+00  3.1667000000e-02 -1.1593190000e+00  2.8864990000e+00  7.6268600000e-01
+ENERGY -1.526615623533e+02
+FORCES  8.5130000000e-04 -3.1454000000e-03 -1.0622000000e-03 -4.5079000000e-03  1.1541000000e-03 -9.0270000000e-04  3.3674000000e-03  2.1933000000e-03  2.2162000000e-03 -9.7920000000e-04 -1.0017600000e-02  1.2200000000e-03 -5.9610000000e-04  9.4293000000e-03  3.4740000000e-04  1.8646000000e-03  3.8630000000e-04 -1.8186000000e-03
+
+JOB 77
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+ENERGY -1.526598044331e+02
+FORCES  1.1654000000e-03  3.7724000000e-03 -4.7138000000e-03  1.0480000000e-04 -6.0629000000e-03 -1.5002000000e-03 -1.9424000000e-03  1.1280000000e-04  4.6308000000e-03 -8.3528000000e-03  4.9704000000e-03 -4.4600000000e-03  2.9887000000e-03  7.2200000000e-04  2.9940000000e-04  6.0363000000e-03 -3.5146000000e-03  5.7437000000e-03
+
+JOB 78
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2571900000e-01  5.1145100000e-01 -3.5774700000e-01 -1.1253800000e-01  5.4952000000e-02  9.4897200000e-01 -3.6334100000e-01  2.4834200000e-01  2.5709790000e+00 -1.2484600000e+00  6.0722900000e-01  2.6341910000e+00  2.0526900000e-01  9.5798000000e-01  2.8698590000e+00
+ENERGY -1.526568951657e+02
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+
+JOB 79
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+ENERGY -1.526594214373e+02
+FORCES -6.9323000000e-03 -3.5178000000e-03 -2.5726000000e-03  1.7501000000e-03 -5.1997000000e-03 -1.1354000000e-03 -3.5165000000e-03  1.2144000000e-03  3.7560000000e-03  1.5930700000e-02  9.9773000000e-03  1.4770000000e-03 -7.6082000000e-03 -5.1278000000e-03 -3.7360000000e-04  3.7630000000e-04  2.6535000000e-03 -1.1515000000e-03
+
+JOB 80
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+ENERGY -1.526585088868e+02
+FORCES -2.9350000000e-03 -1.5398000000e-02  1.6417000000e-03  1.7515000000e-03  7.4890000000e-03 -3.3271000000e-03  1.0103000000e-03  2.0566000000e-03 -1.3546000000e-03  2.1623000000e-03 -5.4410000000e-04  3.5790000000e-04 -3.5861000000e-03  3.0974000000e-03 -2.0442000000e-03  1.5970000000e-03  3.2991000000e-03  4.7262000000e-03
+
+JOB 81
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+ENERGY -1.526618887902e+02
+FORCES  7.2669000000e-03 -5.8357000000e-03  3.4255000000e-03 -2.5256000000e-03 -1.2911000000e-03  1.8800000000e-04 -5.5140000000e-03  7.1905000000e-03 -4.4317000000e-03 -6.4520000000e-04 -4.0164000000e-03  3.7554000000e-03  1.6550000000e-04  4.5320000000e-03  1.8467000000e-03  1.2524000000e-03 -5.7930000000e-04 -4.7840000000e-03
+
+JOB 82
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+ENERGY -1.526615711184e+02
+FORCES -8.1999000000e-03 -1.8188000000e-03  6.6832000000e-03 -2.8300000000e-05  2.5415000000e-03 -6.9170000000e-04  6.9502000000e-03 -2.6040000000e-04 -6.5953000000e-03 -1.6373000000e-03  2.1247000000e-03  2.4526000000e-03  3.7855000000e-03 -1.8696000000e-03  2.6764000000e-03 -8.7030000000e-04 -7.1730000000e-04 -4.5251000000e-03
+
+JOB 83
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+ENERGY -1.526578987703e+02
+FORCES -1.1210800000e-02  1.1701700000e-02  2.2338000000e-03  4.4380000000e-03 -6.0486000000e-03 -3.8560000000e-03  1.0531000000e-03 -2.1919000000e-03 -1.3821000000e-03 -1.6813000000e-03 -1.6489000000e-03  2.2020000000e-04  4.8978000000e-03  1.5933000000e-03 -1.9340000000e-03  2.5032000000e-03 -3.4057000000e-03  4.7181000000e-03
+
+JOB 84
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+ENERGY -1.526595635307e+02
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+JOB 85
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+ENERGY -1.526586111924e+02
+FORCES -2.0839000000e-03 -1.9674000000e-03  5.3300000000e-04  3.7678000000e-03 -3.7678000000e-03  2.2716000000e-03 -6.1290000000e-04 -3.0908000000e-03 -6.2570000000e-03  2.7511000000e-03  1.7573000000e-02 -1.8184000000e-03 -3.0532000000e-03 -8.8821000000e-03  3.0402000000e-03 -7.6880000000e-04  1.3500000000e-04  2.2306000000e-03
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+JOB 86
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+ENERGY -1.526611245272e+02
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+
+JOB 87
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7774700000e-01 -5.2650700000e-01  1.8474900000e-01 -1.3756000000e-01 -9.7525000000e-02 -9.4223000000e-01 -2.4465710000e+00  1.0337800000e-01  1.3698350000e+00 -2.7499430000e+00  1.0006750000e+00  1.5078740000e+00 -1.5751060000e+00  2.0103900000e-01  9.8611200000e-01
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+
+JOB 88
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+
+JOB 89
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2343500000e-01 -3.4407100000e-01  3.4612300000e-01 -4.0827000000e-02 -3.3219400000e-01 -8.9677900000e-01 -2.1951750000e+00  1.5047900000e-01  1.4653920000e+00 -2.5568790000e+00  1.0339350000e+00  1.5354470000e+00 -1.4213460000e+00  2.5123500000e-01  9.1107400000e-01
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+
+JOB 90
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+ENERGY -1.526595830307e+02
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+
+JOB 91
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2527400000e-01  6.2285900000e-01  4.7494000000e-02  2.0912000000e-01 -6.6252100000e-01  6.5845800000e-01 -9.9785400000e-01 -2.6087300000e-01 -2.6236220000e+00 -1.1526300000e-01 -2.4999000000e-02 -2.9093290000e+00 -9.0613000000e-01 -4.4584400000e-01 -1.6889550000e+00
+ENERGY -1.526591443231e+02
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+
+JOB 92
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6579500000e-01 -2.9707300000e-01 -2.7996100000e-01 -5.9271600000e-01 -7.0262100000e-01 -2.6691400000e-01 -1.1312420000e+00 -2.2797940000e+00 -1.3480540000e+00 -1.9660390000e+00 -2.6196070000e+00 -1.0257600000e+00 -1.3481730000e+00 -1.8607340000e+00 -2.1808570000e+00
+ENERGY -1.526606152092e+02
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+
+JOB 93
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+ENERGY -1.526593368357e+02
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+
+JOB 94
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+ENERGY -1.526589256201e+02
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+
+JOB 95
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7732300000e-01  3.6722100000e-01  1.0810000000e-01  5.7092500000e-01  5.9555500000e-01  4.8537600000e-01  3.2026030000e+00 -2.3753600000e-01 -7.9164800000e-01  3.2357140000e+00 -1.1915000000e+00 -8.6298500000e-01  3.0554940000e+00 -7.1471000000e-02  1.3948700000e-01
+ENERGY -1.526528570541e+02
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+
+JOB 96
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+ENERGY -1.526506190274e+02
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+
+JOB 97
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+
+JOB 98
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+ENERGY -1.526608762330e+02
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+
+JOB 99
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+ENERGY -1.526570002669e+02
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+
+JOB 100
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+
+JOB 101
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+ENERGY -1.526560554559e+02
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+
+JOB 102
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+ENERGY -1.526595059291e+02
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+
+JOB 103
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+ENERGY -1.526594500015e+02
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+JOB 104
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+ENERGY -1.526538061292e+02
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+
+JOB 105
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+ENERGY -1.526607256451e+02
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+
+JOB 106
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+JOB 107
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+JOB 108
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+ENERGY -1.526598212435e+02
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+
+JOB 109
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+
+JOB 110
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+
+JOB 111
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+
+JOB 112
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+
+JOB 113
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+
+JOB 114
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+
+JOB 115
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+
+JOB 116
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+
+JOB 117
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+
+JOB 118
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+
+JOB 119
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+JOB 120
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+JOB 121
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+JOB 122
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+JOB 123
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+JOB 124
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+JOB 125
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+JOB 126
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+JOB 127
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+JOB 128
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+JOB 129
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+JOB 130
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+ENERGY -1.526538454001e+02
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+
+JOB 131
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1270100000e-01 -2.8498900000e-01  4.4609000000e-02 -4.4858700000e-01 -7.0392000000e-01 -4.6850700000e-01 -3.3169170000e+00 -2.7038700000e-01  4.9307300000e-01 -3.1167330000e+00  6.2371600000e-01  7.7008900000e-01 -3.2408960000e+00 -2.4877800000e-01 -4.6085900000e-01
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+
+JOB 132
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8474000000e-01  3.6065800000e-01  5.8251000000e-02  5.2710700000e-01  5.6485700000e-01  5.6509000000e-01  3.7976000000e-01 -9.3937300000e-01 -2.8574340000e+00 -3.5934300000e-01 -4.5589300000e-01 -3.2264930000e+00  4.8984500000e-01 -5.7560900000e-01 -1.9789180000e+00
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+
+JOB 133
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+
+JOB 134
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+ENERGY -1.526600788178e+02
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+
+JOB 135
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+
+JOB 136
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+
+JOB 137
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+
+JOB 138
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+
+JOB 139
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+ENERGY -1.526515270634e+02
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+
+JOB 140
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+
+JOB 141
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+JOB 142
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+JOB 143
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+
+JOB 144
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+ENERGY -1.526600404291e+02
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+JOB 145
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+
+JOB 146
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+JOB 147
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+JOB 148
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+JOB 149
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+JOB 150
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+JOB 151
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+JOB 152
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+
+JOB 153
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+ENERGY -1.526574708669e+02
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+
+JOB 154
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+ENERGY -1.526601362958e+02
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+
+JOB 155
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+
+JOB 156
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+
+JOB 157
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+ENERGY -1.526533584270e+02
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+
+JOB 158
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5495100000e-01 -4.5587500000e-01  3.7210100000e-01  2.0152900000e-01  7.6406000000e-02 -9.3262000000e-01 -2.4604190000e+00  1.5495600000e-01  1.4065680000e+00 -2.3302280000e+00  1.0875480000e+00  1.5784790000e+00 -1.6649740000e+00 -1.1815500000e-01  9.4950100000e-01
+ENERGY -1.526611456466e+02
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+
+JOB 159
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5530700000e-01 -6.9398600000e-01  7.2026000000e-02 -4.8611700000e-01  7.5582100000e-01 -3.2963100000e-01  1.2280730000e+00  2.8714490000e+00  4.1573400000e-01  2.0526940000e+00  2.4568760000e+00  6.6942900000e-01  1.0655720000e+00  2.5578990000e+00 -4.7393500000e-01
+ENERGY -1.526544555102e+02
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+
+JOB 160
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+ENERGY -1.526561374006e+02
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+
+JOB 161
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+
+JOB 162
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+JOB 163
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+JOB 164
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+JOB 165
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+JOB 166
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+JOB 167
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+JOB 168
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+JOB 169
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+JOB 170
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+JOB 171
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+JOB 172
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+JOB 173
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+JOB 174
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+JOB 175
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+ENERGY -1.526580845601e+02
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+
+JOB 176
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+
+JOB 177
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+
+JOB 178
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+
+JOB 179
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+
+JOB 180
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+
+JOB 181
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+ENERGY -1.526551484636e+02
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+
+JOB 182
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+ENERGY -1.526618783742e+02
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+JOB 183
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+
+JOB 184
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+JOB 185
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+JOB 186
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+JOB 187
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+JOB 188
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+JOB 189
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+JOB 190
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+JOB 191
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+JOB 192
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+JOB 193
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+JOB 194
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+JOB 195
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+JOB 196
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+JOB 197
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+ENERGY -1.526547472384e+02
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+
+JOB 198
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+
+JOB 199
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+
+JOB 200
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+
+JOB 201
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+ENERGY -1.526595411608e+02
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+
+JOB 202
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+ENERGY -1.526595007519e+02
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+
+JOB 203
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+ENERGY -1.526618366698e+02
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+
+JOB 204
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+ENERGY -1.526609002704e+02
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+
+JOB 205
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+ENERGY -1.526572714934e+02
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+
+JOB 206
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+ENERGY -1.526598953431e+02
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+
+JOB 207
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+
+JOB 208
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+
+JOB 209
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+
+JOB 210
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+
+JOB 211
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+ENERGY -1.526613968833e+02
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+
+JOB 212
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+
+JOB 213
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+
+JOB 214
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+JOB 215
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+JOB 216
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+JOB 217
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+JOB 218
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+JOB 219
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+JOB 228
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+JOB 229
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+JOB 234
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+FORCES  8.8700000000e-04 -2.4877000000e-03 -4.6727000000e-03 -2.5375000000e-03 -4.6991000000e-03 -5.0806000000e-03 -6.9750000000e-04  4.9597000000e-03 -1.4168000000e-03  3.1021000000e-03 -5.2462000000e-03  1.2968300000e-02  1.2698000000e-03  8.1239000000e-03 -4.7054000000e-03 -2.0239000000e-03 -6.5060000000e-04  2.9071000000e-03
+
+JOB 242
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5448700000e-01  4.0631500000e-01 -4.2648500000e-01 -2.0527400000e-01  3.4151000000e-02  9.3430600000e-01 -4.4690300000e-01  3.4586800000e-01  2.5930540000e+00 -1.3488030000e+00  6.0340100000e-01  2.7840640000e+00  8.7027000000e-02  1.0478640000e+00  2.9650120000e+00
+ENERGY -1.526587555200e+02
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+
+JOB 243
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6373100000e-01 -7.6150200000e-01 -1.3621300000e-01 -3.9404300000e-01  6.8905400000e-01 -5.3494500000e-01 -2.4004300000e+00 -1.1729690000e+00 -4.7999200000e-01 -2.3239610000e+00 -2.1104620000e+00 -3.0252900000e-01 -2.6663970000e+00 -7.9127800000e-01  3.5655100000e-01
+ENERGY -1.526566663218e+02
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+
+JOB 244
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8652100000e-01  5.4474900000e-01  2.9417000000e-02  7.0454900000e-01  5.7994900000e-01  2.8896600000e-01  1.9806870000e+00  2.0486160000e+00 -1.6242460000e+00  2.5431480000e+00  1.3066250000e+00 -1.4021690000e+00  2.5311910000e+00  2.8184320000e+00 -1.4808570000e+00
+ENERGY -1.526554645436e+02
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+
+JOB 245
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1715200000e-01  9.0571600000e-01  2.2080700000e-01  1.4319000000e-02 -2.3802000000e-02 -9.5679700000e-01 -2.6255090000e+00 -7.1948400000e-01 -6.7500000000e-04 -1.8116370000e+00 -2.4823600000e-01 -1.7891300000e-01 -2.6449130000e+00 -8.1321100000e-01  9.5172800000e-01
+ENERGY -1.526566546193e+02
+FORCES -8.2820000000e-04  1.7830000000e-04 -1.7772000000e-03 -2.8647000000e-03 -5.1615000000e-03 -1.3112000000e-03 -4.9306000000e-03  9.8890000000e-04  6.7099000000e-03  1.6174600000e-02  3.3886000000e-03  5.4716000000e-03 -6.0584000000e-03  2.4970000000e-04 -6.9104000000e-03 -1.4926000000e-03  3.5590000000e-04 -2.1827000000e-03
+
+JOB 246
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6154600000e-01 -5.5756500000e-01  7.6108900000e-01 -1.3098100000e-01  8.7446100000e-01  3.6659700000e-01  1.1442700000e-01  6.3410100000e-01 -2.6024400000e+00  8.9364500000e-01  3.1695500000e-01 -3.0590250000e+00  1.8214200000e-01  2.6006300000e-01 -1.7239520000e+00
+ENERGY -1.526602090229e+02
+FORCES  3.3690000000e-04  1.6431000000e-03 -3.7575000000e-03 -9.7490000000e-04  4.1987000000e-03 -2.1847000000e-03  1.1457000000e-03 -5.4477000000e-03 -1.1239000000e-03  1.4255000000e-03 -5.6920000000e-03  1.1850000000e-02 -2.0101000000e-03  1.7800000000e-04  2.3965000000e-03  7.7000000000e-05  5.1198000000e-03 -7.1803000000e-03
+
+JOB 247
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8040300000e-01  7.4499000000e-02  9.1217100000e-01  9.5525000000e-01  4.7889000000e-02  3.7900000000e-02 -1.0374240000e+00  2.2084610000e+00 -1.4735260000e+00 -7.3599000000e-01  1.3590730000e+00 -1.1511770000e+00 -2.3904300000e-01  2.7293180000e+00 -1.5602840000e+00
+ENERGY -1.526604522642e+02
+FORCES  1.1442000000e-03  2.3272000000e-03  4.1457000000e-03  2.5185000000e-03 -7.3450000000e-04 -4.3661000000e-03 -4.9196000000e-03  8.9160000000e-04 -1.8960000000e-04  6.5267000000e-03 -8.5230000000e-03  5.5509000000e-03 -3.3669000000e-03  7.7668000000e-03 -5.6822000000e-03 -1.9029000000e-03 -1.7280000000e-03  5.4130000000e-04
+
+JOB 248
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4900400000e-01 -8.8616500000e-01 -3.2976000000e-01 -3.1352300000e-01 -2.4479000000e-02  9.0406600000e-01  2.8291620000e+00  7.0235100000e-01 -3.9813400000e-01  2.5655830000e+00  9.1521900000e-01 -1.2933690000e+00  2.0278150000e+00  3.8635300000e-01  1.9263000000e-02
+ENERGY -1.526603756875e+02
+FORCES -3.5807000000e-03 -3.2226000000e-03  1.1396000000e-03  1.2726000000e-03  4.6915000000e-03  1.9192000000e-03  2.8536000000e-03 -3.7960000000e-04 -4.5842000000e-03 -1.1742000000e-02 -8.7150000000e-04 -1.4289000000e-03  2.2829000000e-03 -7.8970000000e-04  1.7770000000e-03  8.9135000000e-03  5.7190000000e-04  1.1774000000e-03
+
+JOB 249
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6966000000e-01 -3.8019000000e-01  1.2401400000e-01 -5.6224300000e-01 -7.4782600000e-01 -2.0216300000e-01 -5.7851000000e-01  1.0113420000e+00  2.7528490000e+00  2.3879000000e-02  3.6444200000e-01  3.1201090000e+00 -6.3026200000e-01  7.9033100000e-01  1.8229530000e+00
+ENERGY -1.526599063416e+02
+FORCES  2.8911000000e-03 -4.6100000000e-03 -2.0426000000e-03 -4.8170000000e-03  1.2766000000e-03  1.7660000000e-04  2.9534000000e-03  3.8884000000e-03  2.2735000000e-03  3.4103000000e-03 -4.6327000000e-03 -8.5387000000e-03 -1.4955000000e-03  1.7843000000e-03 -8.0390000000e-04 -2.9422000000e-03  2.2934000000e-03  8.9351000000e-03
+
+JOB 250
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4508200000e-01 -9.0691100000e-01 -1.8351700000e-01 -6.0100000000e-02  7.6852000000e-02  9.5221500000e-01 -1.3297080000e+00  1.9550290000e+00 -1.5306620000e+00 -6.8394200000e-01  2.5465220000e+00 -1.1441990000e+00 -1.0587770000e+00  1.0831090000e+00 -1.2432870000e+00
+ENERGY -1.526591417419e+02
+FORCES -2.0707000000e-03  3.3010000000e-04  3.3231000000e-03 -1.9920000000e-04  5.7422000000e-03  2.5700000000e-04  9.4860000000e-04 -1.0940000000e-03 -4.6120000000e-03  9.1961000000e-03 -7.0867000000e-03  8.4257000000e-03 -2.5624000000e-03  2.8010000000e-04 -1.1738000000e-03 -5.3124000000e-03  1.8284000000e-03 -6.2201000000e-03
+
+JOB 251
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9443600000e-01 -3.3020400000e-01  8.4745000000e-02  3.5226000000e-02  3.7434800000e-01 -8.8025800000e-01  2.1008730000e+00 -2.0834170000e+00  3.1904900000e-01  1.3713870000e+00 -1.5461340000e+00  1.0165000000e-02  2.2162560000e+00 -1.8281130000e+00  1.2343300000e+00
+ENERGY -1.526609832160e+02
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+
+JOB 252
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+ENERGY -1.526542245807e+02
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+
+JOB 253
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4389200000e-01 -8.1908700000e-01  2.1974700000e-01 -9.3223800000e-01 -2.0803300000e-01  6.2343000000e-02  7.7550600000e-01  2.8315500000e-01  3.5664900000e+00  7.9176100000e-01 -6.6980500000e-01  3.4779780000e+00  5.5252300000e-01  4.3510600000e-01  4.4848700000e+00
+ENERGY -1.526522088796e+02
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+
+JOB 254
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+ENERGY -1.526537965794e+02
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+
+JOB 255
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+ENERGY -1.526616331402e+02
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+
+JOB 256
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+ENERGY -1.526613115873e+02
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+
+JOB 257
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+ENERGY -1.526567981949e+02
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+
+JOB 258
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+ENERGY -1.526513650702e+02
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+
+JOB 259
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+ENERGY -1.526597747852e+02
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+
+JOB 260
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+ENERGY -1.526593342087e+02
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+JOB 261
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+ENERGY -1.526529980505e+02
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+
+JOB 262
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+ENERGY -1.526567947338e+02
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+JOB 263
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+ENERGY -1.526601974118e+02
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+
+JOB 264
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+JOB 265
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+JOB 266
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+
+JOB 267
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+JOB 268
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+JOB 269
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+JOB 270
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+JOB 271
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+JOB 272
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+JOB 273
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+JOB 274
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+JOB 275
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+JOB 276
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+JOB 277
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+JOB 278
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+JOB 279
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+JOB 280
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+JOB 281
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+JOB 282
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+JOB 283
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+JOB 284
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+JOB 285
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+JOB 286
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+JOB 287
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+JOB 288
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+JOB 289
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+JOB 290
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+JOB 291
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+JOB 292
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+JOB 293
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+JOB 294
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+JOB 295
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+JOB 296
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+JOB 297
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+JOB 298
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+JOB 299
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+JOB 300
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+JOB 301
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+JOB 302
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+JOB 308
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+JOB 309
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+JOB 310
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+JOB 311
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+JOB 312
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+JOB 313
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+JOB 314
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+JOB 315
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+JOB 316
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+JOB 317
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+JOB 318
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+JOB 319
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+JOB 320
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+JOB 321
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+JOB 322
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+JOB 323
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+JOB 324
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+JOB 325
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+JOB 326
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+JOB 327
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+JOB 328
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+
+JOB 330
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+JOB 331
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+
+JOB 332
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+
+JOB 333
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+
+JOB 334
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+
+JOB 335
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+
+JOB 336
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+ENERGY -1.526550627766e+02
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+JOB 337
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+
+JOB 338
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+ENERGY -1.526612169883e+02
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+
+JOB 339
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+ENERGY -1.526615474411e+02
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+JOB 340
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+
+JOB 341
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+ENERGY -1.526601407360e+02
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+JOB 342
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+JOB 343
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+JOB 344
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+JOB 345
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+JOB 346
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+JOB 347
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+JOB 348
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+JOB 349
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+JOB 350
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+JOB 351
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+JOB 352
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+JOB 353
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+JOB 354
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+JOB 355
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+JOB 356
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+JOB 357
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+JOB 358
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+JOB 359
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+JOB 360
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+JOB 361
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+JOB 362
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+JOB 363
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+JOB 364
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+JOB 365
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+JOB 366
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+JOB 367
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+JOB 368
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+JOB 369
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+JOB 370
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+JOB 371
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+JOB 372
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+JOB 373
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+JOB 376
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+JOB 378
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+JOB 379
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+JOB 380
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+JOB 381
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+JOB 383
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+JOB 384
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+
+JOB 396
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+
+JOB 397
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+JOB 398
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+JOB 399
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+JOB 400
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+JOB 401
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+JOB 402
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+JOB 403
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+JOB 404
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+JOB 405
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+JOB 406
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+JOB 407
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+JOB 408
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+JOB 409
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+JOB 410
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+JOB 411
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+JOB 412
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+JOB 413
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+JOB 414
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+JOB 415
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+JOB 416
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+JOB 417
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+JOB 419
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+JOB 420
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+JOB 421
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+JOB 422
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+JOB 423
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+JOB 424
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+JOB 425
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+JOB 426
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+JOB 427
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+JOB 428
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+JOB 429
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+JOB 430
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+JOB 431
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+JOB 432
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+JOB 433
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+JOB 434
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+JOB 435
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+JOB 438
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+JOB 439
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+JOB 440
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+JOB 441
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+JOB 442
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+JOB 443
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+JOB 444
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+JOB 445
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+JOB 446
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+JOB 447
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+JOB 448
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+JOB 449
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+JOB 450
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+JOB 451
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+JOB 453
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+JOB 454
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+JOB 455
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+JOB 484
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+JOB 485
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+JOB 486
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+JOB 487
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+JOB 488
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+JOB 489
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+JOB 490
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+JOB 491
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+JOB 492
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+JOB 493
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+JOB 494
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+JOB 495
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+JOB 496
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+JOB 497
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+JOB 498
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+JOB 499
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+JOB 500
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+JOB 501
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+JOB 506
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+JOB 507
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+JOB 508
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+JOB 509
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+JOB 510
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+JOB 511
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+JOB 512
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+JOB 513
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+JOB 514
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+JOB 515
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+JOB 516
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+JOB 517
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+JOB 518
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+JOB 519
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+JOB 520
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+JOB 521
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+JOB 522
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+JOB 523
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+JOB 524
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+JOB 525
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+JOB 526
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+JOB 527
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+JOB 550
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+JOB 551
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+JOB 552
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+JOB 553
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+JOB 554
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+JOB 555
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+JOB 556
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+JOB 557
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+JOB 558
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+JOB 559
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+JOB 560
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+JOB 561
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+JOB 562
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+JOB 563
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+JOB 564
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+JOB 565
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+JOB 572
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+JOB 573
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+JOB 574
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+JOB 575
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+JOB 576
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+JOB 577
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+JOB 578
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+JOB 579
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+JOB 580
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+JOB 581
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+JOB 582
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+JOB 583
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+JOB 584
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+JOB 585
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+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0481100000e-01 -5.5744200000e-01  6.6454400000e-01 -1.0179800000e-01 -4.8807500000e-01 -8.1710000000e-01  1.4829500000e-01 -1.3708770000e+00 -2.2612980000e+00  3.3088300000e-01 -1.4347030000e+00 -3.1987520000e+00  9.7140000000e-01 -1.6169510000e+00 -1.8391870000e+00
+ENERGY -1.526575565874e+02
+FORCES -3.8733000000e-03 -5.5739000000e-03 -1.1672500000e-02  1.8710000000e-03  3.9490000000e-04 -3.2944000000e-03  6.6275000000e-03 -2.4345000000e-03  7.4123000000e-03  1.1960000000e-03  5.6032000000e-03  3.1339000000e-03  1.1972000000e-03 -1.3128000000e-03  4.8984000000e-03 -7.0183000000e-03  3.3231000000e-03 -4.7770000000e-04
+
+JOB 594
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0625100000e-01  1.0526200000e-01  9.4544300000e-01 -3.1952500000e-01  8.5034700000e-01 -3.0173700000e-01 -2.5657230000e+00  1.4638900000e-01 -3.6159910000e+00 -2.1874210000e+00 -4.3227500000e-01 -2.9539740000e+00 -3.5093770000e+00 -1.0320000000e-03 -3.5526040000e+00
+ENERGY -1.526556261440e+02
+FORCES -9.8500000000e-05  4.3693000000e-03  3.0520000000e-03 -4.8400000000e-04 -3.5850000000e-04 -3.8766000000e-03  1.0485000000e-03 -4.1227000000e-03  1.4383000000e-03 -2.0579000000e-03 -3.7400000000e-03  2.8130000000e-03 -2.1543000000e-03  3.1090000000e-03 -3.1880000000e-03  3.7461000000e-03  7.4300000000e-04 -2.3860000000e-04
+
+JOB 595
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7195300000e-01  8.8185700000e-01  1.4560000000e-02  6.4134000000e-01 -5.2305700000e-01 -4.8096300000e-01  8.7696700000e-01 -2.5223030000e+00 -8.6348400000e-01 -7.9091000000e-02 -2.5451510000e+00 -8.2270000000e-01  1.0809610000e+00 -2.6563240000e+00 -1.7890410000e+00
+ENERGY -1.526600734405e+02
+FORCES  5.9358000000e-03 -5.0923000000e-03 -1.9216000000e-03  1.2580000000e-04 -4.0234000000e-03 -1.0509000000e-03 -5.5853000000e-03  8.3235000000e-03  9.4440000000e-04 -5.6691000000e-03 -2.6789000000e-03 -1.0816000000e-03  6.2096000000e-03  8.7620000000e-04 -1.4359000000e-03 -1.0168000000e-03  2.5949000000e-03  4.5456000000e-03
+
+JOB 596
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4142400000e-01  2.0526500000e-01 -4.0755800000e-01 -6.3573500000e-01  7.3608000000e-02 -7.1179700000e-01 -7.8176800000e-01  3.3843070000e+00  5.8722600000e-01 -1.2919200000e+00  3.8669460000e+00 -6.3186000000e-02 -6.4140000000e-01  4.0120170000e+00  1.2961050000e+00
+ENERGY -1.526528040384e+02
+FORCES  3.1770000000e-04  3.9829000000e-03 -3.9434000000e-03 -2.9062000000e-03 -1.7783000000e-03  1.3322000000e-03  2.3957000000e-03 -1.3372000000e-03  2.1652000000e-03 -1.5819000000e-03  4.3607000000e-03  1.3324000000e-03  2.2522000000e-03 -2.6454000000e-03  2.2784000000e-03 -4.7750000000e-04 -2.5826000000e-03 -3.1647000000e-03
+
+JOB 597
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7559000000e-02 -2.6273200000e-01  9.1626300000e-01 -9.0046100000e-01  1.1299300000e-01 -3.0435800000e-01 -7.3328700000e-01 -1.3508360000e+00  2.2724180000e+00 -1.9755700000e-01 -2.1439570000e+00  2.2859870000e+00 -3.1398500000e-01 -7.6715800000e-01  2.9046670000e+00
+ENERGY -1.526574867047e+02
+FORCES -8.6562000000e-03 -8.2822000000e-03  1.1367100000e-02  6.0859000000e-03  6.7777000000e-03 -1.9687000000e-03  2.7072000000e-03  3.2490000000e-04 -3.9200000000e-05  3.1111000000e-03 -2.5306000000e-03 -1.6970000000e-03 -2.4668000000e-03  5.0261000000e-03  4.7780000000e-04 -7.8130000000e-04 -1.3158000000e-03 -8.1400000000e-03
+
+JOB 598
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3060000000e-03  9.7439000000e-02 -9.5222500000e-01 -9.0109900000e-01  1.8780700000e-01  2.6264100000e-01 -1.9340080000e+00  1.8017780000e+00  9.5511000000e-01 -2.7777850000e+00  1.8220820000e+00  5.0360200000e-01 -1.4545640000e+00  2.5510390000e+00  6.0159200000e-01
+ENERGY -1.526578504594e+02
+FORCES -9.1476000000e-03  6.0528000000e-03  1.9220000000e-03 -4.7590000000e-04  8.3480000000e-04  3.3265000000e-03  4.6797000000e-03 -6.4564000000e-03 -4.5839000000e-03  3.4135000000e-03  4.6512000000e-03 -2.4631000000e-03  5.5675000000e-03 -1.9785000000e-03  7.2030000000e-04 -4.0372000000e-03 -3.1040000000e-03  1.0782000000e-03
+
+JOB 599
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3838700000e-01 -9.4242100000e-01  9.4466000000e-02 -3.5188700000e-01  2.0868100000e-01 -8.6536700000e-01 -6.0011900000e-01  1.4085140000e+00 -2.2249430000e+00 -9.1613500000e-01  9.1187200000e-01 -2.9797360000e+00  3.4643200000e-01  1.4664360000e+00 -2.3550130000e+00
+ENERGY -1.526584527236e+02
+FORCES -5.5986000000e-03  5.9468000000e-03 -1.0222200000e-02 -4.6650000000e-04  3.5897000000e-03 -2.8738000000e-03  5.7993000000e-03 -7.7637000000e-03  6.0506000000e-03  4.2252000000e-03  5.2900000000e-04 -2.7590000000e-04  2.3004000000e-03  4.7600000000e-04  5.9768000000e-03 -6.2599000000e-03 -2.7778000000e-03  1.3445000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2819900000e-01  1.0330700000e-01 -2.0977800000e-01 -4.5010900000e-01  1.2359400000e-01 -8.3567800000e-01 -1.9105010000e+00  5.2168300000e-01 -1.9574890000e+00 -2.0027430000e+00  1.4705620000e+00 -1.8717480000e+00 -2.7156650000e+00  1.6723200000e-01 -1.5802540000e+00
+ENERGY -1.526614349287e+02
+FORCES -5.9877000000e-03  1.0945000000e-03 -9.6057000000e-03 -3.7620000000e-03  5.4250000000e-04 -8.9810000000e-04  8.2435000000e-03 -6.5620000000e-04  7.9203000000e-03 -3.2894000000e-03  1.5079000000e-03  4.9320000000e-03  1.0172000000e-03 -5.0972000000e-03 -1.2760000000e-04  3.7785000000e-03  2.6086000000e-03 -2.2209000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5939800000e-01 -6.1428600000e-01 -6.8672900000e-01 -6.3326200000e-01 -1.4461000000e-01  7.0306400000e-01 -4.2867900000e-01 -2.0286010000e+00 -1.7632350000e+00 -1.3464270000e+00 -2.2811840000e+00 -1.8640930000e+00 -8.8816000000e-02 -1.9969220000e+00 -2.6575060000e+00
+ENERGY -1.526595739129e+02
+FORCES -2.9335000000e-03 -1.2149800000e-02 -8.1063000000e-03 -5.1750000000e-04  8.2217000000e-03  6.0220000000e-03  9.9420000000e-04 -4.1060000000e-04 -2.8448000000e-03  3.5810000000e-04  2.3765000000e-03 -6.4030000000e-04  4.9413000000e-03  2.4518000000e-03  9.9670000000e-04 -2.8427000000e-03 -4.8960000000e-04  4.5727000000e-03
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4472400000e-01  7.4402300000e-01 -5.5024700000e-01  4.4600000000e-01  1.5968400000e-01  8.3175500000e-01  1.9917800000e-01  1.8200650000e+00 -2.0420710000e+00  1.1310410000e+00  1.7202370000e+00 -2.2367420000e+00 -2.4229800000e-01  1.5995590000e+00 -2.8622590000e+00
+ENERGY -1.526590481387e+02
+FORCES -4.6250000000e-04  9.1478000000e-03 -7.5592000000e-03  4.8310000000e-03 -6.1652000000e-03  7.7854000000e-03 -4.5140000000e-04  1.1809000000e-03 -4.1753000000e-03 -2.1516000000e-03 -5.2082000000e-03 -2.7308000000e-03 -5.2730000000e-03 -1.1525000000e-03  3.8118000000e-03  3.5076000000e-03  2.1972000000e-03  2.8681000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8665700000e-01  7.2824200000e-01  5.9249900000e-01  9.5360800000e-01 -8.1785000000e-02  1.3235000000e-02  5.2304300000e-01  3.1616770000e+00 -1.1281650000e+00  5.2999500000e-01  2.6039000000e+00 -1.9060260000e+00  1.1524340000e+00  2.7528460000e+00 -5.3406400000e-01
+ENERGY -1.526542068290e+02
+FORCES  1.3756000000e-03  2.7740000000e-03  3.2545000000e-03  2.2928000000e-03 -3.7999000000e-03 -2.1373000000e-03 -3.7698000000e-03  1.8207000000e-03 -8.7940000000e-04  1.8024000000e-03 -5.7719000000e-03 -2.1860000000e-03  8.7410000000e-04  3.6899000000e-03  2.6961000000e-03 -2.5751000000e-03  1.2873000000e-03 -7.4790000000e-04
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2428700000e-01  3.9240100000e-01 -4.8750600000e-01 -7.5894700000e-01  1.0192400000e-01 -5.7432000000e-01  1.8122500000e-01  2.2040790000e+00  1.6586760000e+00 -3.7934600000e-01  2.2601280000e+00  2.4325310000e+00 -1.8785000000e-02  1.3485040000e+00  1.2789130000e+00
+ENERGY -1.526612975180e+02
+FORCES  9.6360000000e-04  4.0803000000e-03 -4.1792000000e-03 -4.9176000000e-03 -1.5469000000e-03  3.4477000000e-03  3.9101000000e-03  7.2200000000e-05  3.3571000000e-03 -2.3832000000e-03 -1.1043000000e-02 -4.5305000000e-03  8.2630000000e-04 -1.6037000000e-03 -3.2283000000e-03  1.6008000000e-03  1.0041000000e-02  5.1332000000e-03
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9598400000e-01  8.6601100000e-01 -3.5755700000e-01 -7.8441400000e-01  1.3208800000e-01  5.3242700000e-01  1.9094180000e+00 -4.5176500000e-01  1.7825220000e+00  2.7803210000e+00 -4.6738700000e-01  1.3856400000e+00  1.3073340000e+00 -5.3950200000e-01  1.0435840000e+00
+ENERGY -1.526591745598e+02
+FORCES  4.5338000000e-03  4.1440000000e-03  8.0420000000e-03 -1.3676000000e-03 -4.3395000000e-03  1.5581000000e-03  4.2258000000e-03 -1.4790000000e-04 -3.1021000000e-03 -1.0952500000e-02  1.4971000000e-03 -1.2699300000e-02 -3.6660000000e-03  1.0345000000e-03 -6.2350000000e-04  7.2265000000e-03 -2.1882000000e-03  6.8247000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7056000000e-02  9.4268900000e-01 -1.4138600000e-01 -6.4359700000e-01 -2.0122600000e-01  6.7935500000e-01 -1.3295800000e-01  2.7734280000e+00 -3.0558600000e-01 -8.2119100000e-01  3.0624300000e+00  2.9361800000e-01 -2.3627400000e-01  3.3311610000e+00 -1.0766190000e+00
+ENERGY -1.526599765307e+02
+FORCES -1.2964000000e-03  1.1965300000e-02 -7.5230000000e-04 -1.3561000000e-03 -9.8884000000e-03  3.1790000000e-03  1.5374000000e-03  2.0961000000e-03 -1.8937000000e-03 -1.7928000000e-03  4.5820000000e-04 -1.8651000000e-03  3.0971000000e-03 -2.9906000000e-03 -3.4557000000e-03 -1.8920000000e-04 -1.6407000000e-03  4.7877000000e-03
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4750300000e-01  4.0931300000e-01 -1.7445000000e-01  4.7283200000e-01  6.4144000000e-02 -8.2978700000e-01 -1.1781400000e-01 -2.7114280000e+00 -1.0457400000e-01  1.5227000000e-02 -1.7775170000e+00  5.7726000000e-02  3.7055500000e-01 -2.8872020000e+00 -9.0883300000e-01
+ENERGY -1.526581882574e+02
+FORCES -4.1636000000e-03 -3.1639000000e-03 -3.8744000000e-03  5.1481000000e-03 -1.4759000000e-03  6.5400000000e-05 -2.9428000000e-03 -3.6523000000e-03  4.4763000000e-03  1.4909000000e-03  1.5583800000e-02  5.8380000000e-04  1.7684000000e-03 -9.8488000000e-03 -3.2215000000e-03 -1.3010000000e-03  2.5570000000e-03  1.9703000000e-03
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7400900000e-01  2.5328000000e-01  2.9696600000e-01 -9.3459000000e-02 -9.1378600000e-01 -2.6924500000e-01  1.8282980000e+00  3.0284700000e-01  1.9577630000e+00  1.9127530000e+00  1.2528840000e+00  2.0385700000e+00  1.1896840000e+00  1.7752500000e-01  1.2558380000e+00
+ENERGY -1.526603554983e+02
+FORCES  8.1750000000e-04 -1.6961000000e-03  4.6478000000e-03  4.9241000000e-03 -1.6793000000e-03 -1.4765000000e-03 -7.4400000000e-05  5.1652000000e-03  2.3370000000e-03 -1.0607000000e-02  5.1420000000e-04 -1.3086900000e-02 -1.4371000000e-03 -2.4200000000e-03 -5.0420000000e-04  6.3770000000e-03  1.1610000000e-04  8.0827000000e-03
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3395200000e-01 -7.1981600000e-01 -5.8597200000e-01 -4.3563900000e-01 -2.1143100000e-01  8.2568000000e-01 -5.2794400000e-01 -1.8501750000e+00 -2.1985910000e+00 -1.4720640000e+00 -1.8011550000e+00 -2.0486970000e+00 -2.7056400000e-01 -2.6966130000e+00 -1.8331730000e+00
+ENERGY -1.526585017524e+02
+FORCES -1.5172000000e-03 -6.2439000000e-03 -5.8488000000e-03 -1.3430000000e-03  4.6068000000e-03  1.0074600000e-02  8.2520000000e-04 -6.5600000000e-04 -4.0367000000e-03 -2.6438000000e-03 -4.4308000000e-03 -2.5811000000e-03  6.4599000000e-03  7.2990000000e-04  2.3351000000e-03 -1.7811000000e-03  5.9940000000e-03  5.6900000000e-05
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3920900000e-01 -7.0964000000e-02 -1.7053400000e-01 -3.9612700000e-01 -6.7169500000e-01 -5.5510400000e-01  2.5600340000e+00  3.8200500000e-01 -3.0014400000e-01  2.8503830000e+00  1.0604950000e+00 -9.0971900000e-01  3.0356970000e+00  5.6734600000e-01  5.0956200000e-01
+ENERGY -1.526591747625e+02
+FORCES  1.7224200000e-02  1.7855000000e-03 -2.4527000000e-03 -8.8152000000e-03 -3.1795000000e-03  1.1270000000e-03  3.5554000000e-03  2.0967000000e-03  5.4440000000e-04 -1.0434800000e-02  2.4717000000e-03  1.8398000000e-03  1.7590000000e-04 -3.1868000000e-03  3.8202000000e-03 -1.7056000000e-03  1.2400000000e-05 -4.8787000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1327000000e-02 -6.0943800000e-01 -7.3244600000e-01 -6.1359400000e-01 -3.2372700000e-01  6.5949600000e-01 -4.0899800000e-01 -1.5877830000e+00 -2.1257000000e+00 -1.3300210000e+00 -1.3478220000e+00 -2.0238730000e+00 -1.1787700000e-01 -1.1006100000e+00 -2.8965060000e+00
+ENERGY -1.526578824146e+02
+FORCES -8.1650000000e-04 -1.2620400000e-02 -1.1703800000e-02 -4.0205000000e-03  7.9920000000e-03  6.7866000000e-03  5.7020000000e-04  1.3470000000e-04 -3.8607000000e-03 -8.0820000000e-04  6.1220000000e-03  4.2960000000e-04  7.1840000000e-03  5.6710000000e-04  3.2836000000e-03 -2.1090000000e-03 -2.1955000000e-03  5.0648000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6791200000e-01  3.0001200000e-01 -7.0971800000e-01 -1.8281100000e-01  5.9957600000e-01  7.2340900000e-01 -1.8720440000e+00  6.6904800000e-01 -1.7382620000e+00 -2.6811590000e+00  3.3266000000e-01 -1.3530250000e+00 -1.7289430000e+00  1.2269300000e-01 -2.5110820000e+00
+ENERGY -1.526587727694e+02
+FORCES -1.3928900000e-02  7.9782000000e-03 -1.1803400000e-02  7.4205000000e-03 -4.4230000000e-03  4.5156000000e-03 -8.2060000000e-04 -1.7176000000e-03 -2.0820000000e-03  2.9001000000e-03 -5.9042000000e-03  6.0122000000e-03  4.4296000000e-03  1.7887000000e-03 -2.4729000000e-03 -7.0000000000e-07  2.2778000000e-03  5.8305000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0151800000e-01 -9.2951400000e-01  1.0782600000e-01 -9.1800000000e-02  3.6894100000e-01  8.7845700000e-01 -3.7374340000e+00 -2.8101900000e-01 -4.5228100000e-01 -3.4871150000e+00 -1.0467050000e+00  6.4727000000e-02 -2.9775210000e+00 -1.0776100000e-01 -1.0079300000e+00
+ENERGY -1.526553337817e+02
+FORCES  5.0350000000e-04 -1.5078000000e-03  5.3217000000e-03 -5.9290000000e-04  4.0490000000e-03 -1.0588000000e-03  6.0390000000e-04 -2.0355000000e-03 -3.9033000000e-03  5.0929000000e-03 -1.4839000000e-03 -7.4780000000e-04 -7.2500000000e-04  2.7033000000e-03 -1.6197000000e-03 -4.8824000000e-03 -1.7251000000e-03  2.0079000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5314700000e-01  9.3038300000e-01 -1.6481900000e-01 -3.7713100000e-01 -4.4357600000e-01 -7.5976600000e-01 -3.3275200000e-01  2.7504230000e+00 -2.8319700000e-01  4.7089500000e-01  2.9992100000e+00  1.7340700000e-01 -1.0105230000e+00  2.7768890000e+00  3.9219800000e-01
+ENERGY -1.526608465585e+02
+FORCES -2.1744000000e-03  1.2397100000e-02 -5.3877000000e-03  5.8150000000e-04 -1.0036600000e-02  5.0691000000e-03  6.3920000000e-04  2.1382000000e-03  2.1637000000e-03  1.2968000000e-03  1.3092000000e-03  4.3840000000e-03 -5.0253000000e-03 -2.9766000000e-03 -2.1789000000e-03  4.6822000000e-03 -2.8313000000e-03 -4.0501000000e-03
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7704400000e-01 -5.8875900000e-01 -7.3365500000e-01 -8.5405800000e-01  1.3557700000e-01  4.1041000000e-01  3.1206600000e-01 -1.7911230000e+00 -1.9570820000e+00  1.9725500000e-01 -2.6696950000e+00 -1.5949200000e+00 -2.8015200000e-01 -1.7620230000e+00 -2.7085230000e+00
+ENERGY -1.526585705723e+02
+FORCES  1.0891000000e-03 -9.3862000000e-03 -1.0964400000e-02 -4.5376000000e-03  6.7340000000e-03  7.7069000000e-03  2.2144000000e-03 -2.4090000000e-03 -3.1670000000e-03  6.4800000000e-05 -8.2060000000e-04  2.7143000000e-03 -7.7560000000e-04  5.3140000000e-03 -2.2373000000e-03  1.9449000000e-03  5.6780000000e-04  5.9474000000e-03
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0024400000e-01 -1.5320000000e-02 -7.4545600000e-01 -5.5603700000e-01  2.0507900000e-01  7.5166300000e-01 -1.9404210000e+00  3.0532400000e-01 -1.9123210000e+00 -1.8695910000e+00  1.2576030000e+00 -1.9785000000e+00 -2.8110300000e+00  1.5443400000e-01 -1.5442130000e+00
+ENERGY -1.526593529535e+02
+FORCES -1.2807500000e-02  5.4170000000e-04 -9.2369000000e-03  7.5684000000e-03  1.1455000000e-03  6.5829000000e-03  9.2380000000e-04 -1.5930000000e-04 -2.3153000000e-03 -4.6020000000e-04  2.5043000000e-03  3.9221000000e-03 -2.2990000000e-04 -5.7985000000e-03  1.9924000000e-03  5.0054000000e-03  1.7663000000e-03 -9.4510000000e-04
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0648000000e-02  8.1264800000e-01 -5.0568900000e-01  2.9792500000e-01 -6.6500400000e-01 -6.2067900000e-01  6.0450100000e-01 -1.7001610000e+00 -2.1827490000e+00  3.0627600000e-01 -1.4274750000e+00 -3.0504680000e+00  3.4995900000e-01 -2.6207480000e+00 -2.1198310000e+00
+ENERGY -1.526605134311e+02
+FORCES  3.2205000000e-03 -5.0274000000e-03 -1.1356500000e-02 -3.3680000000e-04 -1.9533000000e-03  1.2278000000e-03 -1.7177000000e-03  4.0653000000e-03  8.3998000000e-03 -3.6190000000e-03  5.2200000000e-05 -1.4203000000e-03  1.4748000000e-03 -2.0202000000e-03  3.8448000000e-03  9.7820000000e-04  4.8835000000e-03 -6.9560000000e-04
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0694000000e-02  9.5482500000e-01 -2.9283000000e-02 -6.1866500000e-01 -1.7954600000e-01  7.0798900000e-01  4.1868700000e-01 -2.1002490000e+00 -1.4438690000e+00  1.9074600000e-01 -1.2230430000e+00 -1.1359970000e+00 -1.6716600000e-01 -2.2542340000e+00 -2.1850150000e+00
+ENERGY -1.526584022212e+02
+FORCES  5.4690000000e-04 -8.2827000000e-03 -4.0943000000e-03 -1.3626000000e-03 -4.9459000000e-03  1.1904000000e-03  2.8571000000e-03  2.9833000000e-03 -3.7000000000e-03 -2.6917000000e-03  1.4662700000e-02  8.1617000000e-03 -1.4250000000e-04 -7.0004000000e-03 -4.6344000000e-03  7.9280000000e-04  2.5830000000e-03  3.0766000000e-03
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5744700000e-01  2.7318900000e-01 -6.3981500000e-01 -2.1011900000e-01  5.0027100000e-01  7.8855000000e-01  2.4998700000e+00 -2.9238400000e-01 -5.5030500000e-01  1.5587320000e+00 -1.6136300000e-01 -6.6573700000e-01  2.8666190000e+00 -1.8437900000e-01 -1.4278370000e+00
+ENERGY -1.526569017973e+02
+FORCES  1.0124400000e-02  1.8889000000e-03  1.9322000000e-03  5.3649000000e-03 -8.3770000000e-04  2.5297000000e-03 -1.5014000000e-03 -2.4082000000e-03 -4.7105000000e-03 -1.6859200000e-02  1.8337000000e-03  4.0429000000e-03  7.4958000000e-03 -7.7580000000e-04 -5.9018000000e-03 -4.6245000000e-03  2.9900000000e-04  2.1076000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2142600000e-01 -2.0178200000e-01  4.4808000000e-01  6.7913400000e-01 -1.8708700000e-01  6.4808000000e-01  4.9546800000e-01 -2.1027080000e+00 -1.3189170000e+00  2.8990100000e-01 -1.3418940000e+00 -7.7565100000e-01  1.4507140000e+00 -2.1028850000e+00 -1.3800530000e+00
+ENERGY -1.526525602547e+02
+FORCES  1.8368000000e-03 -1.2988300000e-02 -5.3060000000e-03  6.2953000000e-03 -1.1537000000e-03 -3.7488000000e-03 -3.6659000000e-03 -3.2591000000e-03 -7.3861000000e-03 -4.8422000000e-03  2.4715700000e-02  1.1686900000e-02  2.9728000000e-03 -9.2183000000e-03  2.2750000000e-03 -2.5969000000e-03  1.9037000000e-03  2.4790000000e-03
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7693100000e-01 -2.1676500000e-01  3.1660300000e-01  4.3630700000e-01  3.9625200000e-01  7.5422300000e-01 -1.1218220000e+00 -1.9090040000e+00  3.6563660000e+00 -1.3772400000e+00 -1.0578100000e+00  3.3007510000e+00 -1.6599400000e-01 -1.8757740000e+00  3.6953550000e+00
+ENERGY -1.526530659325e+02
+FORCES -1.8865000000e-03  5.4590000000e-04  3.3704000000e-03  3.9214000000e-03  1.4977000000e-03 -5.5210000000e-04 -2.1486000000e-03 -2.0260000000e-03 -2.5272000000e-03  3.1526000000e-03  2.9112000000e-03 -5.8410000000e-04  1.2169000000e-03 -3.2633000000e-03  4.5390000000e-04 -4.2558000000e-03  3.3460000000e-04 -1.6100000000e-04
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4841900000e-01 -6.2989100000e-01 -6.7657700000e-01  4.5970500000e-01 -2.9736400000e-01  7.8516100000e-01 -2.1287260000e+00 -5.1862100000e-01  1.8515790000e+00 -3.0637600000e+00 -5.2656700000e-01  1.6469310000e+00 -1.7103060000e+00 -2.0429700000e-01  1.0501070000e+00
+ENERGY -1.526614222825e+02
+FORCES  4.0582000000e-03 -4.6666000000e-03  1.2131000000e-03 -8.9070000000e-04  2.7981000000e-03  3.3483000000e-03 -3.5563000000e-03  1.5384000000e-03 -4.7401000000e-03  2.6105000000e-03  2.6515000000e-03 -7.5406000000e-03  3.4973000000e-03  1.0070000000e-04 -6.6240000000e-04 -5.7190000000e-03 -2.4222000000e-03  8.3818000000e-03
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2664000000e-02 -5.0879600000e-01  8.0835100000e-01 -7.4260300000e-01 -2.9465800000e-01 -5.2721000000e-01 -1.7751940000e+00 -5.7085400000e-01 -1.9639670000e+00 -2.7311670000e+00 -5.3339000000e-01 -1.9332620000e+00 -1.5384410000e+00 -3.8679000000e-02 -2.7235530000e+00
+ENERGY -1.526607743333e+02
+FORCES -9.2287000000e-03 -4.4097000000e-03 -8.6163000000e-03 -1.6258000000e-03  9.3610000000e-04 -3.1558000000e-03  6.3547000000e-03  1.9621000000e-03  8.1661000000e-03  2.5775000000e-03  4.2633000000e-03  5.5910000000e-04  4.8870000000e-03  1.3230000000e-04 -3.7400000000e-04 -2.9648000000e-03 -2.8841000000e-03  3.4209000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3288000000e-02 -5.5176800000e-01 -7.8205400000e-01 -3.9000800000e-01  8.2702000000e-01 -2.8313200000e-01  2.6736220000e+00 -2.4472900000e-01  2.1664300000e-01  1.7325460000e+00 -8.4767000000e-02  2.8749500000e-01  2.9764800000e+00  3.8900000000e-01 -4.3366200000e-01
+ENERGY -1.526591793149e+02
+FORCES  4.0432000000e-03  8.8900000000e-05 -3.2799000000e-03  1.3564000000e-03  4.5265000000e-03  4.2813000000e-03  2.8518000000e-03 -4.6137000000e-03  2.5280000000e-04 -1.5899800000e-02  4.6649000000e-03 -1.0047000000e-03  9.5815000000e-03 -2.9055000000e-03 -1.4977000000e-03 -1.9330000000e-03 -1.7611000000e-03  1.2483000000e-03
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8372500000e-01  9.0338200000e-01  2.5763800000e-01  1.4672700000e-01 -5.1111100000e-01  7.9590700000e-01 -2.0498400000e-01 -3.6568900000e+00  2.7405200000e-01 -7.1711000000e-02 -4.6012550000e+00  3.5556600000e-01  4.9093700000e-01 -3.3663110000e+00 -3.1543000000e-01
+ENERGY -1.526559148570e+02
+FORCES  2.2780000000e-04  1.3327000000e-03  4.9390000000e-03 -7.6300000000e-04 -3.6704000000e-03 -9.8440000000e-04  6.9900000000e-04  3.4393000000e-03 -3.8695000000e-03  2.8533000000e-03 -3.1612000000e-03 -3.2936000000e-03 -5.0540000000e-04  3.8912000000e-03 -4.4890000000e-04 -2.5117000000e-03 -1.8317000000e-03  3.6574000000e-03
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5480300000e-01  5.3940000000e-02 -4.0920000000e-02 -2.1792100000e-01 -7.8384100000e-01 -5.0431700000e-01 -4.6460800000e-01 -2.0976090000e+00 -1.8032940000e+00 -1.2532270000e+00 -1.7820730000e+00 -2.2445980000e+00 -5.4593800000e-01 -3.0512140000e+00 -1.8192540000e+00
+ENERGY -1.526611953124e+02
+FORCES  1.9266000000e-03 -9.8738000000e-03 -7.3556000000e-03 -2.5042000000e-03 -7.1700000000e-05  4.8250000000e-04 -1.2340000000e-03  8.3123000000e-03  4.4074000000e-03 -2.0504000000e-03 -1.0538000000e-03  1.2320000000e-04  4.1202000000e-03 -2.0305000000e-03  3.5628000000e-03 -2.5830000000e-04  4.7174000000e-03 -1.2204000000e-03
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8286400000e-01  8.3704100000e-01  4.2679600000e-01 -6.8336600000e-01 -8.4716000000e-02 -6.6488100000e-01 -1.0575340000e+00  1.1398770000e+00  2.8477790000e+00 -1.2818250000e+00  3.3772200000e-01  3.3194480000e+00 -1.8271910000e+00  1.3250370000e+00  2.3096570000e+00
+ENERGY -1.526553468777e+02
+FORCES -2.2014000000e-03  3.9172000000e-03  1.7275000000e-03 -5.2030000000e-04 -2.9253000000e-03 -5.6342000000e-03  1.9718000000e-03  4.7530000000e-04  3.4980000000e-03 -3.8831000000e-03 -5.4086000000e-03  1.1620000000e-03  8.1100000000e-05  4.2179000000e-03 -1.0935000000e-03  4.5519000000e-03 -2.7650000000e-04  3.4020000000e-04
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7853400000e-01 -7.6240300000e-01 -3.2554400000e-01 -4.4434600000e-01  2.3201000000e-01  8.1545100000e-01 -1.9414940000e+00  8.5170800000e-01  1.5971380000e+00 -1.8953960000e+00  1.7763290000e+00  1.8404140000e+00 -2.1681800000e+00  4.0059800000e-01  2.4103700000e+00
+ENERGY -1.526575669545e+02
+FORCES -1.5410800000e-02  3.6886000000e-03  9.1994000000e-03  1.6628000000e-03  1.3473000000e-03  9.9330000000e-04  7.7528000000e-03 -2.6301000000e-03 -1.8702000000e-03  3.0611000000e-03  1.4071000000e-03 -2.8494000000e-03  1.3280000000e-04 -5.7227000000e-03 -3.2960000000e-04  2.8012000000e-03  1.9098000000e-03 -5.1435000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1287600000e-01  5.6783800000e-01 -6.5063400000e-01  4.8259400000e-01  1.7119700000e-01  8.0871900000e-01 -2.5225740000e+00  4.3257800000e-01  3.0505500000e-01 -1.5743890000e+00  3.0861600000e-01  2.6250700000e-01 -2.8861560000e+00 -3.5949600000e-01 -9.0747000000e-02
+ENERGY -1.526580247984e+02
+FORCES -1.0552900000e-02  4.3393000000e-03  5.9550000000e-04 -1.7936000000e-03 -2.9863000000e-03  4.6230000000e-03 -3.8660000000e-03  2.9770000000e-04 -5.0436000000e-03  2.2099500000e-02 -6.1041000000e-03 -3.8341000000e-03 -7.5400000000e-03  2.6686000000e-03  3.1017000000e-03  1.6530000000e-03  1.7847000000e-03  5.5750000000e-04
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2862600000e-01  8.1220900000e-01 -4.5197100000e-01 -9.5578100000e-01  1.4123000000e-02  5.0157000000e-02 -1.4172820000e+00  1.3625200000e+00  3.0689890000e+00 -1.0269240000e+00  1.8765510000e+00  2.3621480000e+00 -8.3446300000e-01  1.4999200000e+00  3.8157650000e+00
+ENERGY -1.526545000671e+02
+FORCES -3.6589000000e-03  1.4733000000e-03 -1.7977000000e-03 -1.0757000000e-03 -2.7186000000e-03  2.9985000000e-03  4.6055000000e-03  8.3960000000e-04 -1.1436000000e-03  5.6548000000e-03  1.5963000000e-03  2.6600000000e-04 -2.8995000000e-03 -1.0923000000e-03  2.4400000000e-03 -2.6262000000e-03 -9.8300000000e-05 -2.7632000000e-03
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1018300000e-01  9.2439400000e-01 -1.3248200000e-01 -2.9813600000e-01 -4.3108200000e-01 -8.0094600000e-01  1.2014180000e+00  9.9812500000e-01 -3.5895830000e+00  3.9398900000e-01  8.9890000000e-01 -3.0851570000e+00  1.4001760000e+00  1.1493800000e-01 -3.9005640000e+00
+ENERGY -1.526524290726e+02
+FORCES -1.5433000000e-03  2.1999000000e-03 -2.6353000000e-03  4.5990000000e-04 -4.4382000000e-03 -1.9500000000e-04  1.3643000000e-03  2.5350000000e-03  2.1768000000e-03 -1.4620000000e-03 -4.2414000000e-03  6.8170000000e-04  2.4806000000e-03  1.4560000000e-04 -1.3309000000e-03 -1.2995000000e-03  3.7991000000e-03  1.3028000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1884800000e-01 -8.4670500000e-01 -3.1250500000e-01 -1.0906000000e-01  5.2330200000e-01 -7.9403600000e-01  2.5279800000e-01  3.8606230000e+00  4.6375000000e-02  1.1501760000e+00  3.5642560000e+00  1.9839700000e-01 -2.1731700000e-01  3.6220780000e+00  8.4532400000e-01
+ENERGY -1.526564882430e+02
+FORCES  2.1990000000e-04 -1.2823000000e-03 -5.0150000000e-03 -1.1529000000e-03  3.5622000000e-03  1.1840000000e-03  8.3000000000e-04 -3.4075000000e-03  3.4976000000e-03  1.8543000000e-03 -2.3240000000e-03  5.1286000000e-03 -3.5230000000e-03  1.6529000000e-03 -1.2787000000e-03  1.7718000000e-03  1.7988000000e-03 -3.5165000000e-03
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0659500000e-01  7.5954500000e-01 -4.9530100000e-01  7.6291600000e-01 -2.8092200000e-01  5.0524600000e-01  2.2254230000e+00 -4.9825600000e-01  1.5646100000e+00  2.1681080000e+00 -1.4512170000e+00  1.4952360000e+00  2.9101180000e+00 -2.5307700000e-01  9.4226600000e-01
+ENERGY -1.526578973284e+02
+FORCES  1.2593100000e-02  1.0718000000e-03  9.0325000000e-03  1.1230000000e-04 -2.5122000000e-03  1.3055000000e-03 -6.3145000000e-03 -3.0036000000e-03 -8.0505000000e-03  1.8755000000e-03 -1.5644000000e-03 -2.2359000000e-03 -2.2764000000e-03  7.0062000000e-03 -2.0317000000e-03 -5.9899000000e-03 -9.9780000000e-04  1.9801000000e-03
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2011400000e-01  6.3592300000e-01 -6.3981400000e-01 -4.3532900000e-01  2.4203000000e-01  8.1739900000e-01  1.2814640000e+00 -3.2990090000e+00  1.0476430000e+00  1.3813800000e+00 -2.6590150000e+00  1.7523820000e+00  3.3983200000e-01 -3.3235420000e+00  8.7746500000e-01
+ENERGY -1.526540322086e+02
+FORCES -2.7491000000e-03  4.6267000000e-03 -4.1190000000e-04  1.2613000000e-03 -2.7441000000e-03  2.8672000000e-03  2.0610000000e-03 -2.0334000000e-03 -3.0242000000e-03 -3.7042000000e-03  4.7359000000e-03  4.8510000000e-04 -3.5380000000e-04 -3.2578000000e-03 -1.5502000000e-03  3.4847000000e-03 -1.3273000000e-03  1.6339000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3786000000e-02  9.3975600000e-01  1.7874500000e-01  7.1976800000e-01 -1.5392500000e-01 -6.1194200000e-01 -1.8185870000e+00 -6.0162400000e-01 -2.2517400000e+00 -1.6902720000e+00 -1.5486440000e+00 -2.1976920000e+00 -1.3818370000e+00 -2.5546500000e-01 -1.4735010000e+00
+ENERGY -1.526606355729e+02
+FORCES  5.3010000000e-03  2.9660000000e-03  1.3700000000e-05 -7.3000000000e-04 -4.9844000000e-03 -2.0965000000e-03 -5.3406000000e-03  6.5600000000e-04  2.4575000000e-03  4.5826000000e-03 -1.3162000000e-03  9.6376000000e-03  1.9400000000e-04  2.8979000000e-03 -9.4020000000e-04 -4.0070000000e-03 -2.1940000000e-04 -9.0721000000e-03
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4839700000e-01  6.4261100000e-01 -6.9373000000e-01 -9.2670900000e-01  9.4366000000e-02  2.2031100000e-01 -2.7871610000e+00 -2.7118500000e-01  3.7119700000e-01 -3.4011100000e+00 -1.0398900000e-01  1.0862790000e+00 -3.1043900000e+00 -1.0784570000e+00 -3.3660000000e-02
+ENERGY -1.526616964328e+02
+FORCES -1.0488200000e-02  1.3653000000e-03  3.0710000000e-04 -1.0923000000e-03 -2.0063000000e-03  1.9784000000e-03  9.7518000000e-03  1.3957000000e-03 -1.5766000000e-03 -3.3500000000e-04 -3.3703000000e-03  4.4910000000e-04  2.2434000000e-03 -1.6082000000e-03 -3.7871000000e-03 -7.9700000000e-05  4.2238000000e-03  2.6291000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5754400000e-01  6.4344000000e-01 -6.9093900000e-01 -5.9462000000e-02 -8.4670700000e-01 -4.4247400000e-01  4.6726400000e-01 -3.1309640000e+00  1.2411360000e+00  7.0654800000e-01 -2.3783880000e+00  1.7820660000e+00  1.1690860000e+00 -3.1936740000e+00  5.9325800000e-01
+ENERGY -1.526569999613e+02
+FORCES -2.3567000000e-03 -1.0301000000e-03 -4.4941000000e-03  6.4090000000e-04 -3.0534000000e-03  2.5728000000e-03  1.9457000000e-03  5.1282000000e-03  7.8270000000e-04  4.5504000000e-03  2.8879000000e-03  2.1285000000e-03 -8.2490000000e-04 -4.7236000000e-03 -2.4687000000e-03 -3.9554000000e-03  7.9100000000e-04  1.4788000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7917200000e-01  9.1540500000e-01 -1.8142000000e-02 -7.1043900000e-01 -4.6960000000e-02 -6.3976800000e-01  4.5029200000e-01  2.9178400000e+00 -2.6029000000e-01 -7.9422000000e-02  3.0835930000e+00 -1.0401370000e+00 -1.1020000000e-02  3.3727640000e+00  4.4431400000e-01
+ENERGY -1.526603865615e+02
+FORCES  5.7630000000e-04  9.8880000000e-03 -2.5706000000e-03 -2.6626000000e-03 -1.0093600000e-02  7.1750000000e-04  1.9804000000e-03  6.1800000000e-04  1.7284000000e-03 -3.7632000000e-03  4.4961000000e-03 -1.6710000000e-04  1.9451000000e-03 -2.2647000000e-03  4.4082000000e-03  1.9239000000e-03 -2.6437000000e-03 -4.1165000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1588800000e-01  9.3471000000e-02 -4.9175400000e-01 -1.0681700000e-01  5.7930600000e-01  7.5447100000e-01  3.4040700000e-01  2.0425630000e+00  1.8630640000e+00  1.2925550000e+00  2.0075680000e+00  1.9548390000e+00  1.8398300000e-01  2.7692460000e+00  1.2599930000e+00
+ENERGY -1.526605161582e+02
+FORCES -1.3524000000e-03  8.2504000000e-03  8.9022000000e-03  2.6219000000e-03  1.4802000000e-03  2.1920000000e-03 -1.3124000000e-03 -6.9719000000e-03 -8.3740000000e-03  5.0415000000e-03  1.1716000000e-03 -4.6720000000e-03 -5.1806000000e-03  6.0860000000e-04 -5.9410000000e-04  1.8210000000e-04 -4.5389000000e-03  2.5460000000e-03
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6567100000e-01 -8.5240000000e-02 -3.9947500000e-01  6.6160000000e-02  7.7907500000e-01  5.5217500000e-01 -8.1351800000e-01 -2.0539290000e+00  1.7646040000e+00 -3.9929300000e-01 -1.4726220000e+00  1.1268480000e+00 -3.1333800000e-01 -1.9219330000e+00  2.5699790000e+00
+ENERGY -1.526601814745e+02
+FORCES  1.3926000000e-03  3.5146000000e-03  8.1850000000e-04 -4.4641000000e-03 -1.0870000000e-04  3.5736000000e-03  8.0280000000e-04 -4.7920000000e-03 -2.4944000000e-03  4.6821000000e-03  8.7593000000e-03 -6.3866000000e-03 -1.2442000000e-03 -8.0783000000e-03  7.3902000000e-03 -1.1691000000e-03  7.0510000000e-04 -2.9012000000e-03
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0568100000e-01  9.0030100000e-01  3.0744200000e-01  2.3057700000e-01 -5.4029700000e-01  7.5574100000e-01  3.5183500000e-01  2.6276340000e+00  2.5770600000e-01 -4.0244000000e-01  2.9602480000e+00 -2.2878000000e-01  1.1007360000e+00  2.8011110000e+00 -3.1263200000e-01
+ENERGY -1.526606161097e+02
+FORCES  2.3935000000e-03  1.5547700000e-02  3.7798000000e-03 -2.2630000000e-03 -1.0835200000e-02 -1.5905000000e-03  4.6300000000e-05  3.6344000000e-03 -1.5069000000e-03 -2.5650000000e-04 -5.2243000000e-03 -5.7795000000e-03  4.5438000000e-03 -2.5237000000e-03  2.2827000000e-03 -4.4641000000e-03 -5.9880000000e-04  2.8144000000e-03
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3512200000e-01  1.6976500000e-01 -1.1383500000e-01  3.6876000000e-02 -7.6519200000e-01  5.7389300000e-01 -1.5039650000e+00 -1.6526810000e+00 -3.0247460000e+00 -1.5290420000e+00 -7.0200900000e-01 -2.9160050000e+00 -8.5370000000e-01 -1.7985700000e+00 -3.7118440000e+00
+ENERGY -1.526547556328e+02
+FORCES -3.8273000000e-03 -4.1567000000e-03  2.0438000000e-03  3.7529000000e-03  2.8380000000e-04 -3.9110000000e-04  1.7500000000e-04  3.6407000000e-03 -1.6227000000e-03  4.2360000000e-03  3.5716000000e-03 -2.2200000000e-03 -1.3461000000e-03 -3.6698000000e-03 -1.6240000000e-04 -2.9905000000e-03  3.3030000000e-04  2.3523000000e-03
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2174600000e-01 -8.4421000000e-01 -3.1625900000e-01 -6.9930900000e-01 -2.2438700000e-01  6.1388000000e-01  1.9105060000e+00 -6.3552000000e-02  2.2342240000e+00  1.6800220000e+00  7.9884200000e-01  2.5797460000e+00  1.4494600000e+00 -1.1775400000e-01  1.3971270000e+00
+ENERGY -1.526594061720e+02
+FORCES -4.6091000000e-03 -4.1636000000e-03 -3.9600000000e-05  4.9030000000e-04  5.3404000000e-03  4.4953000000e-03  4.9860000000e-03  1.4520000000e-03 -2.5963000000e-03 -6.4663000000e-03  5.3926000000e-03 -7.9428000000e-03  5.0640000000e-04 -3.0152000000e-03 -1.0700000000e-04  5.0928000000e-03 -5.0062000000e-03  6.1904000000e-03
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0969100000e-01 -8.5403100000e-01 -3.0158500000e-01 -2.5015800000e-01  4.6101700000e-01 -8.0069700000e-01  1.3394820000e+00 -9.9759500000e-01 -3.2160240000e+00  1.4829890000e+00 -1.8276080000e+00 -3.6706840000e+00  1.4719260000e+00 -3.2951400000e-01 -3.8886000000e+00
+ENERGY -1.526570382717e+02
+FORCES  1.5908000000e-03 -2.3665000000e-03 -6.7790000000e-03 -2.0303000000e-03  2.5489000000e-03  3.6289000000e-03 -1.8080000000e-04 -1.5940000000e-04  3.9963000000e-03  2.1412000000e-03 -6.8990000000e-04 -5.6652000000e-03 -6.0830000000e-04  3.5815000000e-03  2.0309000000e-03 -9.1260000000e-04 -2.9146000000e-03  2.7881000000e-03
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8975100000e-01  2.7510000000e-01  2.2112100000e-01 -3.1498000000e-02 -9.5637500000e-01  2.4229000000e-02 -2.7124370000e+00  1.8430100000e-01 -4.2832000000e-02 -2.7367490000e+00 -6.2486700000e-01 -5.5360300000e-01 -2.9429500000e+00  8.7046800000e-01 -6.6914700000e-01
+ENERGY -1.526580734120e+02
+FORCES -1.6254900000e-02 -7.6080000000e-04  2.1411000000e-03  9.0884000000e-03 -4.5000000000e-06 -1.1411000000e-03 -7.8700000000e-04  2.3345000000e-03 -1.1810000000e-03  4.6301000000e-03 -1.5825000000e-03 -6.3036000000e-03  1.3575000000e-03  3.8027000000e-03  3.1724000000e-03  1.9659000000e-03 -3.7895000000e-03  3.3121000000e-03
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8575900000e-01 -3.4016800000e-01 -6.7631600000e-01  1.7988600000e-01 -5.4209800000e-01  7.6811600000e-01 -1.8470400000e+00 -3.1255810000e+00 -1.5074480000e+00 -1.6574980000e+00 -2.4264420000e+00 -2.1331560000e+00 -2.8018040000e+00 -3.1938030000e+00 -1.5057680000e+00
+ENERGY -1.526548930743e+02
+FORCES  2.8763000000e-03 -4.8300000000e-03  1.1195000000e-03 -2.5844000000e-03  1.7863000000e-03  2.0075000000e-03 -1.9750000000e-04  3.0154000000e-03 -2.7565000000e-03 -3.7258000000e-03  3.6097000000e-03 -2.0899000000e-03 -1.6840000000e-04 -3.5399000000e-03  1.8592000000e-03  3.7998000000e-03 -4.1500000000e-05 -1.3980000000e-04
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9819800000e-01 -7.4278700000e-01  5.7027800000e-01  6.8168700000e-01 -2.4405000000e-02 -6.7152000000e-01  5.2180800000e-01 -1.9284700000e+00  1.8119420000e+00  7.0809400000e-01 -2.8609500000e+00  1.7023580000e+00 -1.8557700000e-01 -1.8991430000e+00  2.4561300000e+00
+ENERGY -1.526603530817e+02
+FORCES  5.5011000000e-03 -1.1397800000e-02  8.7720000000e-03 -3.3676000000e-03  7.3940000000e-03 -5.4278000000e-03 -1.5505000000e-03 -1.1197000000e-03  2.1212000000e-03 -3.1080000000e-03  1.6241000000e-03 -2.8274000000e-03 -1.2970000000e-03  4.5710000000e-03  1.4363000000e-03  3.8220000000e-03 -1.0715000000e-03 -4.0743000000e-03
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0337900000e-01  2.5934100000e-01  7.7174100000e-01  8.9407100000e-01 -1.1177300000e-01  3.2307200000e-01 -4.9873200000e-01 -2.1236270000e+00 -1.4919080000e+00 -3.8685700000e-01 -3.0187950000e+00 -1.1719240000e+00 -2.2425800000e-01 -1.5711010000e+00 -7.6005400000e-01
+ENERGY -1.526573574208e+02
+FORCES -1.8162000000e-03 -1.9917000000e-03 -7.8310000000e-04  3.6420000000e-03 -1.7787000000e-03 -3.7488000000e-03 -6.3530000000e-03 -2.8018000000e-03 -2.0675000000e-03  1.6518000000e-03  1.1926800000e-02  8.9369000000e-03  5.0810000000e-04  4.6160000000e-03  1.2812000000e-03  2.3674000000e-03 -9.9706000000e-03 -3.6188000000e-03
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5285000000e-01 -2.4359500000e-01 -3.5991600000e-01 -6.1063800000e-01 -1.2038900000e-01 -7.2722800000e-01  1.0926980000e+00 -3.7866270000e+00 -1.1961820000e+00  1.4204900000e+00 -4.3478310000e+00 -1.8989160000e+00  1.6400150000e+00 -4.0029160000e+00 -4.4126800000e-01
+ENERGY -1.526553810398e+02
+FORCES  9.0620000000e-04 -3.1613000000e-03 -5.0588000000e-03 -2.9111000000e-03  2.2275000000e-03  2.0198000000e-03  2.0194000000e-03  1.5344000000e-03  2.9127000000e-03  3.3019000000e-03 -4.1873000000e-03  7.5990000000e-04 -1.3759000000e-03  2.5339000000e-03  2.9000000000e-03 -1.9403000000e-03  1.0527000000e-03 -3.5336000000e-03
+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0405700000e-01 -9.0328300000e-01 -8.8664000000e-02  3.1727400000e-01  4.3860000000e-01 -7.8943000000e-01 -1.2226680000e+00  2.6991590000e+00  1.5125470000e+00 -1.1051080000e+00  1.8176210000e+00  1.8665300000e+00 -6.0277200000e-01  2.7502570000e+00  7.8498300000e-01
+ENERGY -1.526569133534e+02
+FORCES  2.4890000000e-03 -3.3204000000e-03 -4.5542000000e-03 -1.3444000000e-03  3.9888000000e-03  1.9060000000e-04 -1.2064000000e-03 -1.0297000000e-03  4.0335000000e-03  3.7326000000e-03 -6.6349000000e-03 -2.4887000000e-03 -1.6487000000e-03  5.1329000000e-03  1.2500000000e-03 -2.0221000000e-03  1.8634000000e-03  1.5689000000e-03
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4683300000e-01  9.4151600000e-01 -9.0664000000e-02  3.9917900000e-01 -3.8153000000e-01 -7.8187200000e-01  2.9484300000e-01  2.8718720000e+00  6.6214000000e-02  3.8173700000e-01  3.4108870000e+00  8.5243500000e-01  9.4741600000e-01  3.2236750000e+00 -5.3927400000e-01
+ENERGY -1.526608049298e+02
+FORCES  1.4187000000e-03  9.2542000000e-03 -1.3298000000e-03  1.0670000000e-04 -1.0552600000e-02 -2.2546000000e-03 -7.6410000000e-04  2.4228000000e-03  2.1717000000e-03  1.9425000000e-03  2.5922000000e-03  3.0431000000e-03  2.6110000000e-04 -1.1369000000e-03 -4.6831000000e-03 -2.9649000000e-03 -2.5797000000e-03  3.0526000000e-03
+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1795500000e-01 -5.5921200000e-01 -7.4566000000e-01  7.2734200000e-01 -1.1990700000e-01  6.1059600000e-01  3.2288180000e+00  7.6415600000e-01 -1.4678990000e+00  3.1396060000e+00 -3.6668000000e-02 -9.5122300000e-01  3.4202950000e+00  1.4454840000e+00 -8.2341400000e-01
+ENERGY -1.526528108892e+02
+FORCES  3.8930000000e-03 -1.8832000000e-03 -2.0528000000e-03 -9.1850000000e-04  1.3276000000e-03  4.0788000000e-03 -2.0772000000e-03  2.8000000000e-04 -2.4331000000e-03  2.3440000000e-04  9.1180000000e-04  4.7237000000e-03 -8.0690000000e-04  2.7084000000e-03 -1.7803000000e-03 -3.2470000000e-04 -3.3445000000e-03 -2.5363000000e-03
+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2979000000e-02 -9.3774400000e-01  1.7760000000e-01  9.3251800000e-01  1.4149300000e-01 -1.6316100000e-01 -9.1806400000e-01  1.4166760000e+00  2.0436160000e+00 -1.8722830000e+00  1.3476540000e+00  2.0741770000e+00 -6.7230400000e-01  9.8496200000e-01  1.2254130000e+00
+ENERGY -1.526598316829e+02
+FORCES  3.2560000000e-04  1.8106000000e-03  8.3271000000e-03  9.0390000000e-04  4.8248000000e-03 -1.3774000000e-03 -4.9060000000e-03 -1.8420000000e-03  1.0990000000e-03  4.4496000000e-03 -8.8126000000e-03 -1.4402600000e-02  2.9511000000e-03 -1.4595000000e-03 -1.2774000000e-03 -3.7243000000e-03  5.4788000000e-03  7.6313000000e-03
+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6333000000e-02 -9.3406400000e-01  1.9838400000e-01 -8.1330700000e-01  8.2412000000e-02 -4.9796800000e-01 -2.0516240000e+00  5.9648800000e-01 -1.4579110000e+00 -2.9430850000e+00  5.3814600000e-01 -1.1142170000e+00 -1.9931180000e+00  1.4786500000e+00 -1.8247890000e+00
+ENERGY -1.526585684071e+02
+FORCES -1.5470600000e-02  3.5009000000e-03 -1.1636900000e-02 -2.7721000000e-03  2.5563000000e-03 -1.4664000000e-03  6.6091000000e-03 -3.2457000000e-03  5.6864000000e-03  9.1097000000e-03  1.0775000000e-03  7.1747000000e-03  4.9382000000e-03  7.2850000000e-04 -1.7956000000e-03 -2.4143000000e-03 -4.6176000000e-03  2.0377000000e-03
+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5659900000e-01 -9.2654100000e-01 -1.8229200000e-01  5.8498900000e-01  2.0319900000e-01  7.2988400000e-01  3.6719200000e-01  1.6146700000e+00 -2.0152220000e+00 -1.5961000000e-01  1.3948330000e+00 -2.7835860000e+00  1.2861500000e-01  9.5500800000e-01 -1.3639470000e+00
+ENERGY -1.526587320734e+02
+FORCES  5.4741000000e-03  6.2333000000e-03 -6.0802000000e-03 -4.7120000000e-04  5.4168000000e-03  4.3490000000e-04 -3.0725000000e-03 -2.9161000000e-03 -3.5627000000e-03 -3.9726000000e-03 -1.1472300000e-02  1.4520200000e-02  1.0374000000e-03 -1.8046000000e-03  3.6052000000e-03  1.0048000000e-03  4.5428000000e-03 -8.9174000000e-03
+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1555500000e-01 -1.6693100000e-01  2.2388700000e-01 -4.9183900000e-01 -2.9215100000e-01  7.6744600000e-01  2.9074140000e+00 -2.7278200000e-01  1.5526400000e-01  3.2359250000e+00 -1.0085040000e+00 -3.6148100000e-01  3.4163430000e+00 -3.0232800000e-01  9.6541800000e-01
+ENERGY -1.526611547812e+02
+FORCES  8.2565000000e-03 -1.1989000000e-03  2.7528000000e-03 -1.1089600000e-02 -1.5790000000e-04  2.7400000000e-05  2.5766000000e-03  7.5850000000e-04 -2.0303000000e-03  4.3607000000e-03 -2.3370000000e-03 -2.4650000000e-04 -1.3205000000e-03  3.5114000000e-03  3.4687000000e-03 -2.7836000000e-03 -5.7590000000e-04 -3.9721000000e-03
+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3459300000e-01  6.9353700000e-01  6.4585100000e-01 -8.4739100000e-01  2.0243100000e-01 -3.9646300000e-01 -2.0333280000e+00  7.9296000000e-01 -1.4860380000e+00 -1.7500040000e+00  1.6307370000e+00 -1.8522180000e+00 -1.9592230000e+00  1.7561200000e-01 -2.2137890000e+00
+ENERGY -1.526586502586e+02
+FORCES -1.5869100000e-02  7.1557000000e-03 -8.1851000000e-03 -1.1276000000e-03 -7.9710000000e-04 -2.8712000000e-03  7.8748000000e-03 -4.6533000000e-03  3.9721000000e-03  1.0079700000e-02 -7.6230000000e-04  4.7690000000e-04 -1.6110000000e-03 -4.4816000000e-03  1.7723000000e-03  6.5330000000e-04  3.5386000000e-03  4.8350000000e-03
+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4732000000e-02 -5.4490200000e-01  7.8506000000e-01  2.0100500000e-01  8.7596900000e-01  3.2940500000e-01 -3.4033300000e-01 -2.1378030000e+00  1.7270520000e+00  2.2250700000e-01 -2.3606340000e+00  2.4685300000e+00 -1.3422100000e-01 -2.7957330000e+00  1.0630660000e+00
+ENERGY -1.526611595402e+02
+FORCES -1.8468000000e-03 -6.6796000000e-03  9.0574000000e-03  2.5594000000e-03  8.0784000000e-03 -7.3170000000e-03 -4.4190000000e-04 -3.6019000000e-03  6.4210000000e-04  2.5508000000e-03 -2.7931000000e-03 -2.7037000000e-03 -2.3750000000e-03  1.4162000000e-03 -4.1327000000e-03 -4.4650000000e-04  3.5799000000e-03  4.4539000000e-03
+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2697800000e-01 -1.2536000000e-01  2.0304600000e-01  3.2371000000e-02  8.3399000000e-01 -4.6866200000e-01 -2.6121100000e+00 -1.8015800000e-01 -2.3717600000e-01 -2.7290730000e+00 -9.1451900000e-01 -8.3989200000e-01 -3.0241870000e+00 -4.6977000000e-01  5.7679500000e-01
+ENERGY -1.526574155624e+02
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+
+JOB 60
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+
+JOB 61
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+
+JOB 62
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+
+JOB 63
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+
+JOB 64
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+
+JOB 65
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+JOB 66
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+JOB 67
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+
+JOB 68
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+JOB 69
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+JOB 70
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+JOB 71
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+JOB 72
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+JOB 73
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+JOB 74
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+JOB 75
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+JOB 76
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+JOB 77
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+JOB 78
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+JOB 79
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+JOB 80
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+JOB 81
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+
+JOB 82
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+
+JOB 83
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+
+JOB 84
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+
+JOB 85
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+
+JOB 86
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+
+JOB 87
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+ENERGY -1.526542685607e+02
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+
+JOB 88
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+
+JOB 89
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+
+JOB 90
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+
+JOB 91
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+
+JOB 92
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+JOB 93
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+
+JOB 94
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+
+JOB 95
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+
+JOB 96
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+JOB 97
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+ENERGY -1.526580431235e+02
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+JOB 98
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+JOB 99
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+JOB 100
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+JOB 101
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+JOB 102
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+JOB 103
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+ENERGY -1.526607378122e+02
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+
+JOB 104
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2868400000e-01  9.2520500000e-01  8.9053000000e-02  2.2123000000e-02 -3.3985800000e-01  8.9456100000e-01 -1.9918740000e+00 -5.7362200000e-01 -1.8071050000e+00 -2.0888770000e+00 -1.3899000000e-01 -2.6544050000e+00 -1.2212540000e+00 -1.6389400000e-01 -1.4140400000e+00
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+
+JOB 105
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+ENERGY -1.526528525935e+02
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+
+JOB 106
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+ENERGY -1.526552241132e+02
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+
+JOB 107
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+ENERGY -1.526612526374e+02
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+
+JOB 108
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+ENERGY -1.526582705609e+02
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+
+JOB 109
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+
+JOB 110
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+
+JOB 111
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+ENERGY -1.526523149748e+02
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+
+JOB 112
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+
+JOB 113
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+
+JOB 114
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+JOB 115
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+
+JOB 116
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+
+JOB 117
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+ENERGY -1.526609178850e+02
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+JOB 118
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+JOB 119
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+JOB 120
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+ENERGY -1.526610995133e+02
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+JOB 121
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+JOB 122
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+JOB 123
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+JOB 124
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+JOB 125
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+JOB 126
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+JOB 127
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+JOB 128
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+JOB 129
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+JOB 130
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+JOB 131
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+JOB 132
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+JOB 133
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+JOB 134
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+JOB 135
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+JOB 136
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+JOB 137
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+JOB 138
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+JOB 139
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+JOB 140
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+JOB 141
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+JOB 142
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+JOB 143
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+JOB 144
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+JOB 145
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+JOB 146
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+JOB 147
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+
+JOB 148
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+
+JOB 149
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+
+JOB 150
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+
+JOB 151
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+
+JOB 152
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+
+JOB 153
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+
+JOB 154
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+
+JOB 155
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+JOB 156
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+
+JOB 157
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+JOB 158
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+
+JOB 159
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+JOB 160
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+JOB 161
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+JOB 162
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+JOB 163
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+JOB 164
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+JOB 165
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+JOB 166
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+JOB 167
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+JOB 168
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+JOB 169
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+JOB 170
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+ENERGY -1.526622867981e+02
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+
+JOB 171
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+
+JOB 172
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+
+JOB 173
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5837800000e-01  5.9850300000e-01 -5.8984300000e-01  5.6269500000e-01 -5.3454000000e-02  7.7249500000e-01 -2.7871700000e+00  1.6912900000e-01 -5.2515000000e-02 -2.6890030000e+00  9.0906200000e-01 -6.5175900000e-01 -1.9755510000e+00  1.6192000000e-01  4.5488400000e-01
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+
+JOB 174
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4288000000e-01  6.5305000000e-02 -1.5147400000e-01  7.9875000000e-02 -5.3907800000e-01  7.8692200000e-01  1.5718180000e+00 -3.6147100000e-01 -2.3559270000e+00  9.1845500000e-01 -1.6090800000e-01 -1.6857610000e+00  1.4368540000e+00  3.0489200000e-01 -3.0297060000e+00
+ENERGY -1.526607385857e+02
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+
+JOB 175
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6934700000e-01  1.5291900000e-01  3.7024700000e-01 -6.0540000000e-01  2.4625200000e-01  6.9934400000e-01  1.1910450000e+00 -1.3511130000e+00 -2.9093260000e+00  3.1039500000e-01 -1.0085230000e+00 -2.7566190000e+00  1.6727050000e+00 -1.1400050000e+00 -2.1095330000e+00
+ENERGY -1.526567902786e+02
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+
+JOB 176
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4294500000e-01 -3.6191500000e-01  4.8299400000e-01 -7.5807000000e-02  9.4695000000e-01  1.1734900000e-01  8.3951200000e-01 -1.9498460000e+00 -1.7566990000e+00  7.0487000000e-01 -1.1882690000e+00 -1.1926910000e+00  1.7814310000e+00 -2.1152200000e+00 -1.7158290000e+00
+ENERGY -1.526613951845e+02
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+
+JOB 177
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3559800000e-01  9.4665300000e-01  4.1157000000e-02 -8.0526400000e-01 -1.4886300000e-01  4.9560200000e-01 -2.3104610000e+00 -1.9801000000e-02  1.6298940000e+00 -3.2290660000e+00 -2.3641300000e-01  1.7895030000e+00 -2.0680880000e+00  5.5044000000e-01  2.3594910000e+00
+ENERGY -1.526602389625e+02
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+JOB 178
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4877900000e-01 -5.9166900000e-01  7.1011800000e-01 -4.7103400000e-01  8.1182100000e-01  1.8789900000e-01 -7.3393000000e-01 -1.7195750000e+00  2.0895140000e+00 -1.6111250000e+00 -1.4307940000e+00  2.3412420000e+00 -8.6491300000e-01 -2.5946680000e+00  1.7244270000e+00
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+
+JOB 179
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+JOB 180
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+JOB 181
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+JOB 182
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+JOB 183
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+JOB 184
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+JOB 185
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+JOB 186
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+JOB 187
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+JOB 188
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+JOB 189
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+JOB 190
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+JOB 191
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+JOB 192
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+
+JOB 193
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9812300000e-01 -3.5323000000e-02  3.2917900000e-01 -5.4521500000e-01 -1.3286400000e-01  7.7544800000e-01 -1.9257750000e+00  1.1920900000e-01  1.7529960000e+00 -2.1104960000e+00 -4.7132900000e-01  2.4833210000e+00 -2.6344970000e+00 -4.0793000000e-02  1.1298230000e+00
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+
+JOB 194
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+ENERGY -1.526598200310e+02
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+
+JOB 195
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+
+JOB 196
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+ENERGY -1.526596798836e+02
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+
+JOB 197
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+ENERGY -1.526604659304e+02
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+
+JOB 198
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+
+JOB 199
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+
+JOB 200
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+
+JOB 201
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+
+JOB 202
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+
+JOB 203
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+
+JOB 204
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+JOB 205
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+
+JOB 206
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+JOB 207
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+JOB 208
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+JOB 209
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+JOB 210
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+JOB 211
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+JOB 212
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+JOB 213
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+JOB 214
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+JOB 215
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+JOB 216
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+JOB 217
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+JOB 218
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+JOB 219
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+JOB 220
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+JOB 221
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+JOB 222
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+JOB 223
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+JOB 224
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+JOB 225
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+JOB 226
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+JOB 227
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+JOB 228
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+JOB 229
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+JOB 230
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+JOB 231
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+JOB 232
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+JOB 233
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+JOB 234
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+JOB 235
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+JOB 236
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+
+JOB 237
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4648900000e-01 -1.2043700000e-01 -7.6712000000e-02  1.0148500000e-01  6.9684100000e-01  6.4834100000e-01  2.1510320000e+00  6.1855500000e-01 -1.8723390000e+00  1.4283950000e+00  2.9741300000e-01 -1.3329920000e+00  2.1245830000e+00  7.3095000000e-02 -2.6584730000e+00
+ENERGY -1.526617013678e+02
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+
+JOB 238
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1583000000e-02 -4.6944400000e-01 -8.3258200000e-01  8.9644100000e-01 -7.2230000000e-03  3.3551900000e-01  2.7437780000e+00  2.2584900000e-01 -4.2000000000e-05  2.9306050000e+00  1.1132960000e+00 -3.0625600000e-01  3.3900330000e+00  6.8461000000e-02  6.8830000000e-01
+ENERGY -1.526602427412e+02
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+
+JOB 239
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4506200000e-01 -1.7283600000e-01 -4.1500600000e-01  1.1845600000e-01 -7.2462700000e-01  6.1409800000e-01 -3.0312530000e+00  6.5156300000e-01  9.7590900000e-01 -2.1870660000e+00  8.0178100000e-01  1.4013680000e+00 -2.9803090000e+00  1.1485520000e+00  1.5942900000e-01
+ENERGY -1.526572210089e+02
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+
+JOB 240
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2945400000e-01  9.3101400000e-01 -1.8079500000e-01  3.2671700000e-01 -4.4411400000e-01 -7.8246400000e-01  8.0493600000e-01 -2.2089260000e+00 -1.4030320000e+00  1.7131170000e+00 -2.1566950000e+00 -1.7008780000e+00  8.3031500000e-01 -2.8120180000e+00 -6.6015400000e-01
+ENERGY -1.526596202617e+02
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+
+JOB 241
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2111500000e-01  1.8258200000e-01 -7.8187900000e-01 -3.0271600000e-01  6.3934200000e-01  6.4485400000e-01  1.6561800000e+00 -3.3472780000e+00 -1.4860390000e+00  1.6093570000e+00 -4.2273490000e+00 -1.8595550000e+00  1.5751770000e+00 -3.4826450000e+00 -5.4192700000e-01
+ENERGY -1.526543381409e+02
+FORCES -3.2173000000e-03  3.3683000000e-03 -1.6269000000e-03  1.6873000000e-03 -1.8800000000e-04  3.6844000000e-03  1.3077000000e-03 -2.8105000000e-03 -2.5200000000e-03 -6.3280000000e-04 -3.3600000000e-03  3.2891000000e-03  8.8500000000e-05  3.6623000000e-03  1.3622000000e-03  7.6660000000e-04 -6.7220000000e-04 -4.1889000000e-03
+
+JOB 242
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2252100000e-01  9.3791000000e-01  1.4678000000e-01  3.1337100000e-01 -6.2784000000e-02 -9.0226900000e-01 -2.6015610000e+00 -6.9475600000e-01 -6.6486300000e-01 -2.8567700000e+00 -1.1952190000e+00  1.1014500000e-01 -1.7365530000e+00 -3.4526700000e-01 -4.5073900000e-01
+ENERGY -1.526596461494e+02
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+
+JOB 243
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3764000000e-02  9.4920200000e-01 -9.0724000000e-02 -2.1195400000e-01 -3.4366500000e-01 -8.6787200000e-01  2.8050250000e+00  1.9833370000e+00 -1.5898810000e+00  2.0077860000e+00  2.1198930000e+00 -2.1017350000e+00  2.5668530000e+00  1.3136240000e+00 -9.4879500000e-01
+ENERGY -1.526551822072e+02
+FORCES -4.0218000000e-03  1.4764000000e-03 -2.8518000000e-03  1.9206000000e-03 -4.4714000000e-03 -5.3030000000e-04  1.7071000000e-03  2.1883000000e-03  3.7025000000e-03 -3.3732000000e-03 -3.2072000000e-03  8.7330000000e-04  2.4666000000e-03 -4.7450000000e-04  2.4255000000e-03  1.3007000000e-03  4.4883000000e-03 -3.6192000000e-03
+
+JOB 244
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4513900000e-01 -2.7857500000e-01  5.3234900000e-01 -1.1292000000e-02  9.5567700000e-01  5.2782000000e-02 -2.7744010000e+00  4.6491200000e-01 -1.4830850000e+00 -2.4572300000e+00  9.8044000000e-01 -7.4155600000e-01 -2.5096740000e+00 -4.3271600000e-01 -1.2820500000e+00
+ENERGY -1.526518219244e+02
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+
+JOB 245
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3274600000e-01 -4.8217000000e-02  8.5243100000e-01  9.5665000000e-02 -8.7854700000e-01 -3.6774300000e-01  4.8774000000e-01 -2.1009540000e+00 -1.4544440000e+00  1.3796060000e+00 -1.8601240000e+00 -1.7050570000e+00 -3.9065000000e-02 -1.9119550000e+00 -2.2309670000e+00
+ENERGY -1.526585315993e+02
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+
+JOB 246
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0811900000e-01  7.9737100000e-01 -4.8694800000e-01 -7.5166800000e-01 -3.7310000000e-01 -4.6046000000e-01  1.9539700000e+00 -2.1035200000e-01 -1.8010710000e+00  2.8753390000e+00 -4.6978700000e-01 -1.8032150000e+00  1.6123060000e+00 -5.4515800000e-01 -9.7197300000e-01
+ENERGY -1.526601940640e+02
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+
+JOB 247
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1367000000e-02  9.5472500000e-01 -4.5756000000e-02 -6.6004800000e-01 -3.0593500000e-01 -6.2207100000e-01 -1.0950400000e-01 -1.6903510000e+00  2.1722120000e+00 -3.0842000000e-02 -1.0158600000e+00  1.4975970000e+00 -1.0516950000e+00 -1.8365340000e+00  2.2567080000e+00
+ENERGY -1.526602430603e+02
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+
+JOB 248
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+ENERGY -1.526540254537e+02
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+
+JOB 249
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+ENERGY -1.526558284020e+02
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+
+JOB 250
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+ENERGY -1.526619166555e+02
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+
+JOB 251
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+ENERGY -1.526537691688e+02
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+
+JOB 252
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+ENERGY -1.526605646175e+02
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+
+JOB 253
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+ENERGY -1.526603344363e+02
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+JOB 254
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+ENERGY -1.526592996699e+02
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+
+JOB 255
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+ENERGY -1.526558888431e+02
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+JOB 256
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+ENERGY -1.526533756270e+02
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+JOB 257
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+ENERGY -1.526585457700e+02
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+JOB 258
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+ENERGY -1.526580693033e+02
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+
+JOB 259
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+
+JOB 260
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+
+JOB 261
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+
+JOB 262
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+
+JOB 263
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+
+JOB 264
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+
+JOB 265
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+ENERGY -1.526570804414e+02
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+
+JOB 266
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+
+JOB 267
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+
+JOB 268
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+
+JOB 269
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+JOB 270
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+
+JOB 271
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+
+JOB 272
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+JOB 273
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+JOB 274
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+JOB 275
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+JOB 276
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+JOB 277
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+JOB 278
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+JOB 279
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+JOB 280
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+JOB 281
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+JOB 282
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+JOB 283
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+JOB 284
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+JOB 285
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+JOB 286
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+JOB 287
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+JOB 288
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+JOB 289
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+JOB 290
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+JOB 291
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+JOB 292
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+JOB 293
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+JOB 294
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+JOB 295
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+JOB 296
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+JOB 297
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+JOB 298
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+JOB 299
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+JOB 300
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+JOB 301
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+JOB 302
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+JOB 303
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+JOB 304
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+JOB 305
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+JOB 306
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+JOB 307
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+JOB 308
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+JOB 309
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+JOB 310
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+JOB 311
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+JOB 312
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+JOB 313
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+JOB 314
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+JOB 315
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+JOB 316
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+JOB 317
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+JOB 318
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+JOB 319
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+JOB 320
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+JOB 321
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+JOB 325
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+JOB 326
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+JOB 327
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+JOB 328
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+JOB 329
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+JOB 330
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+JOB 331
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+JOB 332
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+JOB 333
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+JOB 334
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+JOB 335
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+JOB 336
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+JOB 337
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+JOB 338
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+JOB 339
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+JOB 340
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+JOB 341
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+JOB 342
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+JOB 343
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+JOB 344
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+JOB 345
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+JOB 346
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+
+JOB 347
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+
+JOB 348
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+
+JOB 349
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+
+JOB 350
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+
+JOB 351
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+JOB 352
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+
+JOB 353
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+JOB 354
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+JOB 355
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+JOB 356
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+JOB 357
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+JOB 358
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+JOB 359
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+JOB 360
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+JOB 361
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+JOB 362
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+JOB 363
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+JOB 364
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+JOB 365
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+JOB 366
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+JOB 367
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+JOB 368
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+JOB 391
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+JOB 392
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+JOB 393
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+JOB 394
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+JOB 395
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+
+JOB 396
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+JOB 397
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+JOB 398
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+JOB 399
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+JOB 400
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+JOB 401
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+JOB 402
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+JOB 403
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+JOB 404
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+JOB 405
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+JOB 406
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+JOB 407
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+JOB 408
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+JOB 409
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+JOB 410
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+JOB 411
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+JOB 412
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+JOB 413
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+JOB 414
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+JOB 415
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+JOB 416
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+JOB 417
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+JOB 419
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+JOB 420
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+JOB 421
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+JOB 422
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+JOB 423
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+JOB 424
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+JOB 425
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+JOB 426
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+JOB 427
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+JOB 428
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+JOB 429
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+JOB 430
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+JOB 431
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+JOB 432
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+JOB 439
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+JOB 440
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+JOB 479
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+JOB 481
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+JOB 482
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+JOB 483
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+JOB 484
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+JOB 485
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+JOB 486
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+JOB 487
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+JOB 488
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+JOB 489
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+JOB 490
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+JOB 492
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+JOB 493
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+JOB 494
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+JOB 495
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+JOB 496
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+JOB 501
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+JOB 502
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+JOB 503
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+JOB 504
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+JOB 505
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+JOB 506
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+JOB 507
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+JOB 508
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+JOB 509
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+JOB 510
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+JOB 511
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+JOB 512
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+JOB 513
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+JOB 514
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+JOB 515
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+JOB 516
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+JOB 517
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+JOB 518
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+JOB 519
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+JOB 520
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+JOB 521
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+JOB 522
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+JOB 545
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+JOB 546
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+JOB 547
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+JOB 548
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+JOB 549
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+JOB 550
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+JOB 551
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+JOB 552
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+JOB 553
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+JOB 554
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+JOB 555
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+JOB 556
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+JOB 557
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+JOB 558
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+JOB 559
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+JOB 571
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+JOB 572
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+JOB 575
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+JOB 576
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+ENERGY -1.526540657706e+02
+FORCES  1.7032000000e-03  1.5902000000e-03  1.5150500000e-02 -1.3147000000e-03  5.0428000000e-03  1.4135000000e-03 -3.2845000000e-03 -4.3541000000e-03  1.8601000000e-03  5.5430000000e-03 -6.1974000000e-03 -2.3752300000e-02 -6.9460000000e-04  8.2300000000e-04 -2.9510000000e-04 -1.9524000000e-03  3.0955000000e-03  5.6234000000e-03
+
+JOB 589
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6280600000e-01  3.7315900000e-01  1.8041700000e-01 -1.6021700000e-01  2.0067900000e-01 -9.2211200000e-01 -9.5178100000e-01  2.9135870000e+00 -1.0611040000e+00 -8.3108100000e-01  1.9680290000e+00 -9.7402600000e-01 -1.7598410000e+00  3.0069180000e+00 -1.5656420000e+00
+ENERGY -1.526532029120e+02
+FORCES  5.8838000000e-03  2.2690000000e-04 -1.6403000000e-03 -4.7282000000e-03 -2.1156000000e-03 -1.1123000000e-03 -2.9395000000e-03  5.1412000000e-03  5.2631000000e-03 -3.6792000000e-03 -3.7884000000e-03  1.2973000000e-03  1.8340000000e-03  1.5466000000e-03 -5.7828000000e-03  3.6292000000e-03 -1.0106000000e-03  1.9751000000e-03
+
+JOB 590
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3687800000e-01  7.3190600000e-01  3.0382000000e-01  1.5591700000e-01 -5.2528800000e-01  7.8485300000e-01  4.8681000000e-02 -9.1095700000e-01 -2.5279240000e+00  2.1126700000e-01 -4.7830600000e-01 -1.6897050000e+00 -8.9055700000e-01 -1.0954870000e+00 -2.5245500000e+00
+ENERGY -1.526592952834e+02
+FORCES -4.7190000000e-04 -2.9840000000e-03 -4.4718000000e-03  2.1656000000e-03 -4.5856000000e-03 -4.9750000000e-04 -1.9467000000e-03  3.8386000000e-03 -2.8297000000e-03 -3.1244000000e-03  4.5930000000e-03  1.5473600000e-02  1.4851000000e-03 -1.2541000000e-03 -6.9627000000e-03  1.8924000000e-03  3.9200000000e-04 -7.1200000000e-04
+
+JOB 591
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1812700000e-01 -9.2053500000e-01  2.3429300000e-01  8.6386000000e-01  2.8443900000e-01 -2.9845000000e-01 -5.9996000000e-02 -2.7483780000e+00 -4.0947000000e-02 -7.9155500000e-01 -3.2516190000e+00 -3.9844000000e-01  6.6151400000e-01 -3.3754870000e+00  7.9360000000e-03
+ENERGY -1.526594670018e+02
+FORCES  1.7816000000e-03 -1.2192800000e-02 -1.2955000000e-03  1.6325000000e-03  8.5546000000e-03  1.7369000000e-03 -2.1446000000e-03 -1.7085000000e-03  1.0282000000e-03 -2.3558000000e-03  2.0030000000e-03 -2.4262000000e-03  4.6064000000e-03  2.4750000000e-04  1.7994000000e-03 -3.5200000000e-03  3.0961000000e-03 -8.4270000000e-04
+
+JOB 592
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6315200000e-01 -4.1944000000e-02 -4.1163200000e-01 -5.9872700000e-01 -3.4527200000e-01 -6.6222800000e-01 -4.7194000000e-02 -1.4181550000e+00 -2.4227690000e+00  3.6228000000e-02 -6.8523300000e-01 -3.0327680000e+00 -6.9110200000e-01 -1.9974360000e+00 -2.8302590000e+00
+ENERGY -1.526573691397e+02
+FORCES  1.9345000000e-03 -8.7010000000e-03 -1.1208100000e-02 -9.4050000000e-04  2.9221000000e-03  2.0947000000e-03 -2.5082000000e-03  4.8089000000e-03  4.2860000000e-03 -3.0620000000e-04  2.2800000000e-04 -2.4748000000e-03 -6.5110000000e-04 -3.1198000000e-03  4.7534000000e-03  2.4716000000e-03  3.8618000000e-03  2.5488000000e-03
+
+JOB 593
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6805500000e-01 -6.2717600000e-01 -4.4743200000e-01 -2.1516900000e-01  8.4414600000e-01 -3.9667500000e-01 -8.2729500000e-01  2.3880650000e+00 -1.4137810000e+00 -1.5551930000e+00  2.6854020000e+00 -8.6789900000e-01 -3.8333600000e-01  3.1928850000e+00 -1.6809840000e+00
+ENERGY -1.526612961347e+02
+FORCES -3.1973000000e-03  6.6886000000e-03 -7.7643000000e-03  1.2751000000e-03  1.8710000000e-03  1.7369000000e-03  4.1650000000e-04 -7.4427000000e-03  6.8309000000e-03  3.1040000000e-04  4.3844000000e-03  4.9700000000e-05  4.5788000000e-03 -2.3609000000e-03 -2.3111000000e-03 -3.3834000000e-03 -3.1405000000e-03  1.4578000000e-03
+
+JOB 594
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5090000000e-01  1.1715100000e-01  9.1627300000e-01 -4.1929700000e-01  8.2589700000e-01 -2.4148800000e-01 -1.5734200000e+00  2.2824020000e+00  1.4171500000e-01 -1.2459560000e+00  3.1738010000e+00  2.6174900000e-01 -2.1227770000e+00  2.1231590000e+00  9.0923100000e-01
+ENERGY -1.526595054179e+02
+FORCES -6.4528000000e-03  1.2335200000e-02  2.7322000000e-03 -7.4210000000e-04 -9.4850000000e-04 -1.8273000000e-03  5.0948000000e-03 -6.7851000000e-03 -1.6999000000e-03  3.1100000000e-05 -1.6312000000e-03  3.5689000000e-03 -1.3908000000e-03 -4.9689000000e-03  3.9710000000e-04  3.4597000000e-03  1.9986000000e-03 -3.1710000000e-03
+
+JOB 595
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1601000000e-01  6.8271700000e-01  4.2879400000e-01 -1.7502500000e-01  3.4557300000e-01 -8.7531500000e-01  1.6796720000e+00  2.0176880000e+00  1.3654020000e+00  9.1944200000e-01  2.4410140000e+00  1.7642460000e+00  2.0658360000e+00  1.5017260000e+00  2.0731410000e+00
+ENERGY -1.526610506931e+02
+FORCES  6.5920000000e-03  7.7072000000e-03  5.4990000000e-04 -8.3491000000e-03 -6.5778000000e-03 -2.1196000000e-03  3.1840000000e-04 -6.6010000000e-04  3.0160000000e-03  1.4036000000e-03  1.3261000000e-03  6.1222000000e-03  3.0876000000e-03 -4.3235000000e-03 -3.6201000000e-03 -3.0525000000e-03  2.5281000000e-03 -3.9485000000e-03
+
+JOB 596
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6612000000e-01 -5.0598000000e-02 -4.0436000000e-01  1.4973400000e-01 -2.2842900000e-01  9.1740500000e-01  2.4493540000e+00 -6.5315200000e-01 -9.1958600000e-01  3.1036100000e+00 -9.5396600000e-01 -2.8895700000e-01  2.3860350000e+00 -1.3641570000e+00 -1.5573120000e+00
+ENERGY -1.526590957825e+02
+FORCES  1.6163400000e-02 -4.3349000000e-03 -2.8992000000e-03 -8.3201000000e-03  2.5428000000e-03  1.2452000000e-03 -6.8800000000e-05  4.1020000000e-04 -2.1097000000e-03 -5.4490000000e-03 -2.5327000000e-03  3.2225000000e-03 -3.4561000000e-03  4.9240000000e-04 -3.3397000000e-03  1.1306000000e-03  3.4222000000e-03  3.8809000000e-03
+
+JOB 597
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2326000000e-01  5.4934700000e-01 -4.7539200000e-01  7.8286400000e-01 -6.5610000000e-03 -5.5073800000e-01 -1.3526890000e+00 -2.2540920000e+00  2.2605500000e-01 -9.9767700000e-01 -1.4557020000e+00 -1.6480600000e-01 -1.5417530000e+00 -2.8230460000e+00 -5.2012100000e-01
+ENERGY -1.526557916011e+02
+FORCES  3.5430000000e-04 -2.8344000000e-03 -1.1630000000e-04  2.1780000000e-03 -7.8319000000e-03  1.5924000000e-03 -5.3737000000e-03 -3.7940000000e-04  2.1670000000e-03  8.9443000000e-03  1.2546400000e-02 -1.3942000000e-03 -8.4010000000e-03 -5.7190000000e-03 -3.5363000000e-03  2.2981000000e-03  4.2182000000e-03  1.2876000000e-03
+
+JOB 598
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5607600000e-01 -4.9851000000e-01  7.3547900000e-01 -7.4625100000e-01  4.9499300000e-01 -3.3811800000e-01  5.2580300000e-01 -6.1113300000e-01 -2.7018960000e+00  6.8361700000e-01 -4.6994000000e-01 -1.7684130000e+00  1.3800080000e+00 -8.6032400000e-01 -3.0547010000e+00
+ENERGY -1.526614588800e+02
+FORCES -4.9996000000e-03 -1.3982000000e-03 -1.5460000000e-04  6.8960000000e-04  3.1284000000e-03 -2.9152000000e-03  4.2485000000e-03 -3.0733000000e-03  2.0966000000e-03  1.6847000000e-03  4.1740000000e-04  8.7320000000e-03  8.2910000000e-04  3.2510000000e-04 -1.0317900000e-02 -2.4523000000e-03  6.0050000000e-04  2.5591000000e-03
+
+JOB 599
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9042500000e-01  8.6293400000e-01 -1.3836400000e-01 -5.7910200000e-01 -6.0295800000e-01 -4.6617000000e-01 -9.7230000000e-01  2.4612570000e+00 -3.8400000000e-03 -1.4029800000e+00  2.1553600000e+00  7.9439100000e-01 -1.9943000000e-01  2.9332240000e+00  3.0624100000e-01
+ENERGY -1.526583062359e+02
+FORCES -6.7800000000e-03  1.6431200000e-02 -4.3008000000e-03  1.8233000000e-03 -9.3875000000e-03  6.2150000000e-03  2.4960000000e-04  3.5166000000e-03  1.6704000000e-03  4.6593000000e-03 -4.4951000000e-03  4.4855000000e-03  4.4292000000e-03 -1.9750000000e-03 -6.5941000000e-03 -4.3814000000e-03 -4.0903000000e-03 -1.4760000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8568500000e-01 -7.4163900000e-01  4.6631600000e-01  1.2847000000e-02 -2.6233200000e-01 -9.2046100000e-01  2.2767620000e+00  1.4962870000e+00  4.2651400000e-01  1.4846270000e+00  1.0821410000e+00  8.4116000000e-02  2.6905040000e+00  8.1812100000e-01  9.6049900000e-01
+ENERGY -1.526574272250e+02
+FORCES  2.4335000000e-03 -3.2599000000e-03  5.2730000000e-04  3.2250000000e-04  5.4145000000e-03 -2.9079000000e-03  2.2798000000e-03  2.7790000000e-03  5.6657000000e-03 -1.2754500000e-02 -8.8035000000e-03 -5.3550000000e-04  9.5840000000e-03  2.9589000000e-03 -1.0722000000e-03 -1.8652000000e-03  9.1090000000e-04 -1.6774000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3090600000e-01  3.7011100000e-01 -8.5201600000e-01  1.6204900000e-01  7.0951400000e-01  6.2174100000e-01  2.4349400000e-01  1.3734800000e+00  2.2646820000e+00 -6.8080700000e-01  1.6222260000e+00  2.2696090000e+00  3.1834700000e-01  7.1445300000e-01  2.9548350000e+00
+ENERGY -1.526592892756e+02
+FORCES  3.8812000000e-03  7.9359000000e-03  1.1994600000e-02 -4.5340000000e-04  1.0199000000e-03  4.4391000000e-03 -5.1058000000e-03 -2.7741000000e-03 -9.6235000000e-03 -2.5362000000e-03 -8.2102000000e-03 -1.6517000000e-03  5.5375000000e-03 -2.3337000000e-03 -2.7068000000e-03 -1.3232000000e-03  4.3622000000e-03 -2.4517000000e-03
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5051300000e-01 -6.5611100000e-01 -6.5038000000e-01 -5.7739100000e-01  7.4329700000e-01 -1.7424500000e-01 -3.4268880000e+00 -1.2444500000e+00  2.9439400000e-01 -2.8709780000e+00 -7.8582100000e-01  9.2435800000e-01 -3.3829050000e+00 -7.0976600000e-01 -4.9833000000e-01
+ENERGY -1.526546169652e+02
+FORCES -1.5786000000e-03 -1.8030000000e-04 -4.4018000000e-03  8.5870000000e-04  3.7876000000e-03  2.8257000000e-03  1.1248000000e-03 -3.8421000000e-03  1.4077000000e-03  2.4987000000e-03  3.8880000000e-03  6.9570000000e-04 -3.7085000000e-03 -1.5563000000e-03 -3.3719000000e-03  8.0480000000e-04 -2.0968000000e-03  2.8446000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6664000000e-02 -3.4124700000e-01  8.9355300000e-01  8.7988600000e-01  3.3955500000e-01 -1.6350900000e-01 -1.2193870000e+00 -3.2718480000e+00  1.1164250000e+00 -8.4627700000e-01 -2.5397700000e+00  1.6074270000e+00 -2.0311530000e+00 -2.9241990000e+00  7.4709100000e-01
+ENERGY -1.526526524332e+02
+FORCES  5.0794000000e-03  1.0470000000e-04  2.0641000000e-03 -1.6059000000e-03 -1.5100000000e-05 -2.6905000000e-03 -3.9047000000e-03 -1.2622000000e-03  7.7610000000e-04 -2.2489000000e-03  4.8103000000e-03 -1.1895000000e-03 -4.1490000000e-04 -1.5422000000e-03 -1.3378000000e-03  3.0950000000e-03 -2.0954000000e-03  2.3777000000e-03
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8919400000e-01 -8.9085000000e-02  3.4297300000e-01  4.6375400000e-01  5.0912900000e-01  6.6479500000e-01  1.8754940000e+00 -1.8721240000e+00  6.0845300000e-01  1.4937680000e+00 -2.6281430000e+00  1.0544940000e+00  1.1243920000e+00 -1.3262250000e+00  3.7591700000e-01
+ENERGY -1.526592217791e+02
+FORCES  7.5560000000e-04  2.4860000000e-04  3.8083000000e-03  5.3860000000e-03 -1.3600000000e-04 -8.9450000000e-04 -2.2279000000e-03 -6.5580000000e-03 -3.5270000000e-03 -1.2140700000e-02  6.7813000000e-03 -4.6410000000e-03 -3.0490000000e-04  3.1955000000e-03 -1.3495000000e-03  8.5319000000e-03 -3.5314000000e-03  6.6036000000e-03
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2645800000e-01 -4.3400000000e-01  2.1176200000e-01  6.4304700000e-01 -7.0850800000e-01 -2.7186000000e-02  5.3826300000e-01  1.4199900000e+00  2.1938430000e+00  1.1991990000e+00  2.1104110000e+00  2.2459320000e+00  6.2049500000e-01  1.0756460000e+00  1.3045200000e+00
+ENERGY -1.526595845739e+02
+FORCES -2.9820000000e-03 -8.8030000000e-04  7.6003000000e-03  4.6513000000e-03  6.5940000000e-04 -2.3704000000e-03 -2.6530000000e-03  4.8350000000e-03  1.5355000000e-03 -2.9822000000e-03 -5.8987000000e-03 -1.2372800000e-02 -1.6111000000e-03 -3.3885000000e-03 -2.7529000000e-03  5.5770000000e-03  4.6731000000e-03  8.3603000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5390300000e-01 -1.9519000000e-02 -7.6935000000e-02 -1.8435000000e-01 -4.6257900000e-01  8.1747600000e-01 -2.6886700000e-01 -1.7259120000e+00 -2.2277800000e+00 -2.7919500000e-01 -1.3575470000e+00 -1.3443590000e+00 -4.1477700000e-01 -9.7468500000e-01 -2.8027590000e+00
+ENERGY -1.526599389659e+02
+FORCES  3.6900000000e-03  2.2100000000e-05  1.9940000000e-03 -6.0282000000e-03 -1.2401000000e-03 -2.6840000000e-04  1.2026000000e-03  7.7490000000e-04 -5.9796000000e-03 -1.5499000000e-03  1.1076200000e-02  8.3786000000e-03  1.5697000000e-03 -8.0306000000e-03 -4.7328000000e-03  1.1157000000e-03 -2.6025000000e-03  6.0820000000e-04
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6703700000e-01  3.2832400000e-01  8.8347800000e-01 -4.5301200000e-01 -8.4258700000e-01 -3.2535000000e-02  1.0147360000e+00 -2.4704400000e+00  2.2887420000e+00  7.2275300000e-01 -3.2046990000e+00  2.8289670000e+00  1.0385390000e+00 -2.8218830000e+00  1.3987130000e+00
+ENERGY -1.526552945665e+02
+FORCES -2.1069000000e-03 -2.2241000000e-03  5.8383000000e-03 -1.9350000000e-04  1.4410000000e-04 -4.5903000000e-03  2.1040000000e-03  2.4250000000e-03 -1.2513000000e-03  8.8010000000e-04 -4.9918000000e-03 -1.3793000000e-03  9.4510000000e-04  3.4271000000e-03 -2.5363000000e-03 -1.6286000000e-03  1.2198000000e-03  3.9190000000e-03
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8678300000e-01  5.0110100000e-01  2.1471300000e-01  1.5423600000e-01 -5.4644700000e-01  7.7061000000e-01 -5.7917900000e-01 -1.1166380000e+00  2.4922630000e+00 -8.9195800000e-01 -5.7475600000e-01  3.2166690000e+00 -1.7419000000e-02 -1.7711560000e+00  2.9073090000e+00
+ENERGY -1.526584782446e+02
+FORCES -6.0374000000e-03 -4.0005000000e-03  1.2872100000e-02  1.8630000000e-03  4.9830000000e-04 -1.8384000000e-03  4.7527000000e-03  1.3730000000e-04 -6.2370000000e-03  2.7870000000e-04  2.4464000000e-03  1.3629000000e-03  1.2289000000e-03 -3.2208000000e-03 -3.2517000000e-03 -2.0860000000e-03  4.1394000000e-03 -2.9078000000e-03
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8422000000e-02 -3.8481500000e-01 -8.7598000000e-01 -9.1340700000e-01  2.0133700000e-01  2.0342900000e-01 -2.5935830000e+00  3.5189200000e-01  9.8479800000e-01 -2.9141350000e+00 -4.0075300000e-01  1.4817920000e+00 -3.3861460000e+00  7.8879100000e-01  6.7303800000e-01
+ENERGY -1.526612605612e+02
+FORCES -1.1105700000e-02  1.2295000000e-03  1.6100000000e-03 -8.3130000000e-04  1.1573000000e-03  2.6757000000e-03  9.2391000000e-03 -1.6829000000e-03 -3.6905000000e-03 -5.8380000000e-04 -1.7843000000e-03  4.7640000000e-04  8.9100000000e-05  4.2008000000e-03 -2.9100000000e-03  3.1926000000e-03 -3.1205000000e-03  1.8384000000e-03
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0353800000e-01  7.1787000000e-01 -1.9140900000e-01 -1.4250000000e-01 -1.9270900000e-01  9.2670900000e-01 -5.4855000000e-01 -1.5921730000e+00 -2.3980160000e+00 -6.5603400000e-01 -1.1788220000e+00 -1.5413830000e+00  3.8682800000e-01 -1.7873500000e+00 -2.4546340000e+00
+ENERGY -1.526603987053e+02
+FORCES -1.1337000000e-03  3.2117000000e-03  3.4815000000e-03  2.2107000000e-03 -5.5787000000e-03  5.7890000000e-04  3.8240000000e-04  1.2397000000e-03 -4.8187000000e-03  6.0100000000e-03  4.0000000000e-03  9.0441000000e-03 -4.6629000000e-03 -2.4667000000e-03 -7.1179000000e-03 -2.8065000000e-03 -4.0600000000e-04 -1.1679000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7354600000e-01  6.7443400000e-01 -6.5669800000e-01 -7.4689200000e-01 -5.9521000000e-01 -6.4099000000e-02 -6.8299500000e-01  1.3004400000e+00  2.2987120000e+00 -2.1748400000e-01  8.2574000000e-01  1.6100970000e+00  9.4920000000e-03  1.7010080000e+00  2.8242970000e+00
+ENERGY -1.526613083073e+02
+FORCES -5.9915000000e-03  2.4732000000e-03  1.6000000000e-04  7.5720000000e-04 -3.6200000000e-03  3.6770000000e-03  3.9172000000e-03  3.7648000000e-03  2.2610000000e-04  5.6851000000e-03 -6.5679000000e-03 -1.0088900000e-02 -3.3195000000e-03  5.6928000000e-03  9.3628000000e-03 -1.0486000000e-03 -1.7429000000e-03 -3.3370000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0664000000e-02 -4.1574500000e-01 -8.5742000000e-01 -7.3588900000e-01  6.0348200000e-01 -1.0251300000e-01 -5.2868000000e-01 -1.5264460000e+00  2.1798170000e+00 -2.5614100000e-01 -9.0815200000e-01  2.8578050000e+00 -5.2169200000e-01 -1.0143310000e+00  1.3711630000e+00
+ENERGY -1.526593323796e+02
+FORCES -7.1400000000e-04 -2.8230000000e-03 -3.1850000000e-04 -1.4380000000e-03  2.8687000000e-03  4.4966000000e-03  3.4534000000e-03 -5.0762000000e-03  2.1706000000e-03  5.6024000000e-03  1.0238800000e-02 -1.1459400000e-02 -1.3133000000e-03 -1.1454000000e-03 -1.9994000000e-03 -5.5905000000e-03 -4.0630000000e-03  7.1101000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4325500000e-01  5.9061400000e-01  5.2180500000e-01 -7.5268800000e-01 -1.9104800000e-01  5.5963700000e-01  2.6311330000e+00 -1.9384690000e+00  3.8423700000e-01  2.5122680000e+00 -1.2719760000e+00  1.0609120000e+00  3.3995510000e+00 -2.4338700000e+00  6.6768500000e-01
+ENERGY -1.526517978537e+02
+FORCES -1.3868000000e-03  1.1377000000e-03  3.3046000000e-03 -1.2567000000e-03 -3.4335000000e-03 -1.3333000000e-03  3.3878000000e-03  9.2680000000e-04 -2.2645000000e-03  1.5626000000e-03  1.2619000000e-03  3.6728000000e-03  1.4367000000e-03 -1.9646000000e-03 -1.9280000000e-03 -3.7437000000e-03  2.0716000000e-03 -1.4517000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0345100000e-01  2.3628300000e-01  8.7653900000e-01  3.5535000000e-02  8.3097100000e-01 -4.7376900000e-01  2.2855100000e-01  2.5590830000e+00 -1.5542510000e+00  1.1012070000e+00  2.4110300000e+00 -1.9186470000e+00 -2.8397400000e-01  2.8971420000e+00 -2.2885990000e+00
+ENERGY -1.526617911439e+02
+FORCES -1.5496000000e-03  8.5730000000e-03 -1.4928000000e-03  8.7090000000e-04 -7.3150000000e-04 -2.7452000000e-03  1.8886000000e-03 -8.9422000000e-03  4.8275000000e-03  4.6910000000e-04  2.0401000000e-03 -5.5672000000e-03 -5.0690000000e-03 -4.5600000000e-05  2.0129000000e-03  3.3900000000e-03 -8.9390000000e-04  2.9648000000e-03
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6534800000e-01 -5.4487000000e-01  7.4090400000e-01  6.0120200000e-01  7.4451100000e-01  2.2160000000e-02 -1.0854890000e+00  2.1956870000e+00 -2.6023330000e+00 -1.2047950000e+00  2.4833800000e+00 -1.6972200000e+00 -1.3706000000e-01  2.1972260000e+00 -2.7316050000e+00
+ENERGY -1.526530116603e+02
+FORCES  3.7624000000e-03 -3.9830000000e-04  3.4411000000e-03 -1.2178000000e-03  2.4056000000e-03 -3.3877000000e-03 -3.0641000000e-03 -2.1086000000e-03 -7.0080000000e-04  2.7260000000e-03 -8.0340000000e-04  3.8359000000e-03  1.2335000000e-03  2.2980000000e-04 -4.0143000000e-03 -3.4399000000e-03  6.7490000000e-04  8.2580000000e-04
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5991700000e-01  6.8211600000e-01 -6.5220900000e-01 -5.5857800000e-01  4.1974500000e-01  6.5424500000e-01 -2.4267790000e+00  8.0930200000e-01  9.9881300000e-01 -2.7094920000e+00  1.4131930000e+00  3.1206700000e-01 -2.9563270000e+00  2.3971000000e-02  8.6072900000e-01
+ENERGY -1.526580191211e+02
+FORCES -1.1461300000e-02  6.6989000000e-03  4.6411000000e-03 -1.5421000000e-03 -1.7915000000e-03  1.7706000000e-03  8.2886000000e-03 -1.8926000000e-03 -2.7598000000e-03  1.1069000000e-03 -4.8537000000e-03 -7.3427000000e-03  2.1824000000e-03 -2.7338000000e-03  2.8582000000e-03  1.4255000000e-03  4.5728000000e-03  8.3260000000e-04
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3323200000e-01 -3.3100100000e-01 -8.3404200000e-01  7.0689900000e-01  5.4844300000e-01  3.4020100000e-01 -6.5486000000e-02 -1.0828250000e+00  2.6775790000e+00 -1.9672000000e-02 -3.8541700000e-01  3.3316090000e+00 -1.8157100000e-01 -6.2421700000e-01  1.8454530000e+00
+ENERGY -1.526588293941e+02
+FORCES  4.4467000000e-03 -2.3047000000e-03 -3.2729000000e-03 -8.4790000000e-04  3.1452000000e-03  3.3020000000e-03 -5.0101000000e-03 -4.0075000000e-03  1.1448000000e-03 -2.2118000000e-03  3.4642000000e-03 -7.1496000000e-03  6.1730000000e-04 -1.4091000000e-03 -3.7654000000e-03  3.0059000000e-03  1.1119000000e-03  9.7412000000e-03
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8563700000e-01  2.1404700000e-01  2.9336500000e-01  3.0713200000e-01 -6.5766100000e-01  6.2400600000e-01  3.1543210000e+00 -1.0839210000e+00  3.9969800000e-01  3.4583440000e+00 -1.8797940000e+00  8.3603200000e-01  2.3520240000e+00 -1.3485040000e+00 -5.0354000000e-02
+ENERGY -1.526540596510e+02
+FORCES -3.0210000000e-03  6.6400000000e-05  5.0190000000e-03  3.8400000000e-03 -8.1600000000e-04 -1.0496000000e-03 -5.2540000000e-04  5.8450000000e-04 -5.2355000000e-03 -6.5130000000e-04 -3.6072000000e-03 -2.2675000000e-03 -1.9660000000e-03  3.6497000000e-03 -1.5396000000e-03  2.3236000000e-03  1.2250000000e-04  5.0732000000e-03
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1741600000e-01  4.7430800000e-01 -8.0249300000e-01  8.0121800000e-01 -4.7370900000e-01  2.2334200000e-01  6.4013100000e-01  1.1747570000e+00 -2.2452660000e+00  1.4845780000e+00  1.6246410000e+00 -2.2725610000e+00  6.4146100000e-01  6.1456100000e-01 -3.0214170000e+00
+ENERGY -1.526581970359e+02
+FORCES  6.5064000000e-03  8.4068000000e-03 -1.7301600000e-02 -1.8981000000e-03 -3.7778000000e-03  7.6588000000e-03 -1.3731000000e-03  1.7822000000e-03 -1.6542000000e-03 -7.4840000000e-04 -5.9875000000e-03  7.4020000000e-03 -4.0761000000e-03 -3.8855000000e-03 -2.5760000000e-04  1.5892000000e-03  3.4617000000e-03  4.1525000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5987200000e-01 -2.6137000000e-01 -5.2010800000e-01 -5.4814800000e-01  4.9573200000e-01 -6.0828900000e-01 -2.3907790000e+00 -1.1237260000e+00 -4.5980700000e-01 -3.0717750000e+00 -1.2102680000e+00  2.0726600000e-01 -1.6293060000e+00 -7.9233500000e-01  1.6188000000e-02
+ENERGY -1.526583731432e+02
+FORCES -2.3719000000e-03 -3.3626000000e-03 -6.6184000000e-03 -3.3919000000e-03  2.6794000000e-03  1.7965000000e-03 -1.1700000000e-05 -6.5838000000e-03  6.0733000000e-03  1.0434200000e-02  1.4057000000e-03  5.1329000000e-03  4.0513000000e-03  1.0949000000e-03 -1.0449000000e-03 -8.7100000000e-03  4.7663000000e-03 -5.3394000000e-03
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1928000000e-01  1.4290000000e-01 -2.2524700000e-01  1.4955000000e-02 -8.6471300000e-01  4.1021900000e-01  2.3798400000e+00 -9.0333700000e-01 -8.1678700000e-01  1.4782130000e+00 -5.8210000000e-01 -8.2717700000e-01  2.5415960000e+00 -1.1934640000e+00 -1.7145030000e+00
+ENERGY -1.526587240810e+02
+FORCES  1.0562000000e-03 -2.7727000000e-03  4.8300000000e-04  4.4648000000e-03 -1.6905000000e-03  1.7231000000e-03  1.1622000000e-03  4.9796000000e-03 -6.1178000000e-03 -1.0486800000e-02  6.5379000000e-03 -9.0000000000e-06  6.1384000000e-03 -8.5212000000e-03  1.2288000000e-03 -2.3348000000e-03  1.4670000000e-03  2.6918000000e-03
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0854100000e-01 -2.8051500000e-01  1.0998300000e-01 -3.3325200000e-01  8.9618000000e-02  8.9282900000e-01 -1.6004960000e+00  3.2100270000e+00  1.5619290000e+00 -2.4670810000e+00  2.9683120000e+00  1.2350710000e+00 -1.7526920000e+00  3.9955110000e+00  2.0873660000e+00
+ENERGY -1.526548738882e+02
+FORCES  2.4410000000e-03  8.5460000000e-04  4.7081000000e-03 -3.4912000000e-03  7.8930000000e-04 -5.4490000000e-04  1.1623000000e-03 -2.1673000000e-03 -3.9744000000e-03 -4.3403000000e-03  3.0011000000e-03 -7.0100000000e-05  3.5533000000e-03  8.1730000000e-04  2.0690000000e-03  6.7490000000e-04 -3.2950000000e-03 -2.1878000000e-03
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3870200000e-01 -1.7787300000e-01 -4.2564300000e-01 -1.3280600000e-01  8.3241700000e-01  4.5351600000e-01  2.4705140000e+00  6.0321200000e-01 -9.2134500000e-01  1.5247640000e+00  4.5564900000e-01 -9.1749800000e-01  2.6542040000e+00  9.5999600000e-01 -1.7903640000e+00
+ENERGY -1.526594349414e+02
+FORCES -1.3200000000e-05  2.0510000000e-03  1.5813000000e-03  4.7290000000e-03  1.8687000000e-03  1.7420000000e-03  8.3060000000e-04 -4.3272000000e-03 -4.5613000000e-03 -1.1324900000e-02 -4.0253000000e-03  1.9734000000e-03  8.6863000000e-03  5.8818000000e-03 -3.5111000000e-03 -2.9077000000e-03 -1.4490000000e-03  2.7758000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8999000000e-02  6.7586900000e-01  6.7669200000e-01  2.7024100000e-01  4.4739700000e-01 -8.0189600000e-01  4.1586000000e-01  1.2071780000e+00 -2.4797310000e+00  8.1849100000e-01  7.9746700000e-01 -3.2454060000e+00 -2.9523200000e-01  1.7384690000e+00 -2.8379340000e+00
+ENERGY -1.526613514029e+02
+FORCES  2.6352000000e-03  6.6135000000e-03 -9.2896000000e-03 -4.2090000000e-04 -1.2588000000e-03 -2.8197000000e-03 -9.1390000000e-04 -3.7709000000e-03  9.3130000000e-03 -2.6853000000e-03 -2.0643000000e-03 -5.8790000000e-04 -2.7387000000e-03  2.7988000000e-03  2.8121000000e-03  4.1235000000e-03 -2.3184000000e-03  5.7220000000e-04
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6332800000e-01 -5.5040200000e-01  1.7498700000e-01  3.6747300000e-01  8.5027800000e-01 -2.4129600000e-01 -2.5194320000e+00  6.5617900000e-01  5.9800600000e-01 -1.5899740000e+00  4.2838200000e-01  5.7686600000e-01 -2.6447480000e+00  1.0742270000e+00  1.4499240000e+00
+ENERGY -1.526592755653e+02
+FORCES -3.0698000000e-03  5.0880000000e-04  1.1519000000e-03 -2.4930000000e-03  4.0880000000e-03 -1.8148000000e-03 -2.2037000000e-03 -4.7466000000e-03  2.9777000000e-03  1.2539000000e-02 -4.9549000000e-03 -7.1030000000e-04 -7.0342000000e-03  6.4320000000e-03  1.0186000000e-03  2.2617000000e-03 -1.3273000000e-03 -2.6231000000e-03
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1334300000e-01 -6.2377800000e-01 -6.5494200000e-01 -7.8049400000e-01  2.3193000000e-01  5.0325900000e-01 -1.3595880000e+00 -1.8374000000e+00 -1.4628020000e+00 -1.8826590000e+00 -1.1634820000e+00 -1.8969270000e+00 -1.1577910000e+00 -2.4673330000e+00 -2.1546790000e+00
+ENERGY -1.526583293292e+02
+FORCES -8.1142000000e-03 -1.2098400000e-02 -5.2868000000e-03  1.6483000000e-03  9.0515000000e-03  1.4831000000e-03  1.5962000000e-03  9.0000000000e-07 -2.3534000000e-03  1.4250000000e-03  1.4636000000e-03 -8.8820000000e-04  5.2444000000e-03 -2.3719000000e-03  3.9366000000e-03 -1.7996000000e-03  3.9543000000e-03  3.1086000000e-03
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9781700000e-01  8.0602000000e-01 -4.7689900000e-01  8.5621800000e-01 -3.4682100000e-01  2.5067400000e-01 -2.7112200000e-01  2.4689430000e+00 -1.6208330000e+00 -4.2726000000e-01  1.9028190000e+00 -2.3767150000e+00 -1.0938510000e+00  2.9436530000e+00 -1.5025200000e+00
+ENERGY -1.526609759257e+02
+FORCES  2.3486000000e-03  6.9207000000e-03 -2.0284000000e-03  1.2935000000e-03 -1.0237700000e-02  2.4337000000e-03 -2.6889000000e-03  1.9879000000e-03 -1.5791000000e-03 -6.3229000000e-03  1.2770000000e-03 -2.1969000000e-03  1.5774000000e-03  1.8822000000e-03  5.2085000000e-03  3.7924000000e-03 -1.8302000000e-03 -1.8378000000e-03
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1138600000e-01  3.3159500000e-01 -3.8461500000e-01 -2.7521300000e-01 -7.4259800000e-01  5.3762200000e-01 -2.0962470000e+00  1.6681920000e+00 -1.3654570000e+00 -1.9285080000e+00  2.2951020000e+00 -6.6183800000e-01 -2.1712230000e+00  2.2063140000e+00 -2.1535150000e+00
+ENERGY -1.526604231443e+02
+FORCES -6.0220000000e-03 -1.1370000000e-04 -3.3665000000e-03  5.7290000000e-03 -2.5875000000e-03  7.5971000000e-03  3.3790000000e-04  2.9471000000e-03 -1.9976000000e-03  7.8880000000e-04  5.5321000000e-03 -3.1014000000e-03 -3.2450000000e-04 -4.7015000000e-03 -3.2557000000e-03 -5.0920000000e-04 -1.0765000000e-03  4.1241000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1243300000e-01  4.1511600000e-01  2.8959000000e-01  6.7425700000e-01  6.6316000000e-01  1.4774300000e-01 -2.5539830000e+00  2.9084800000e-01  6.8014500000e-01 -3.3223210000e+00  6.7488400000e-01  2.5776600000e-01 -2.9130310000e+00 -2.6478700000e-01  1.3719450000e+00
+ENERGY -1.526595628815e+02
+FORCES -1.1842500000e-02  2.3585000000e-03  3.2448000000e-03  9.1098000000e-03  6.8390000000e-04 -1.5267000000e-03 -4.0832000000e-03 -1.0734000000e-03  1.7310000000e-04  4.1608000000e-03 -3.0495000000e-03 -1.1746000000e-03  2.9137000000e-03 -2.3343000000e-03  2.8931000000e-03 -2.5860000000e-04  3.4149000000e-03 -3.6097000000e-03
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6849900000e-01 -4.6458500000e-01 -5.0348900000e-01  3.8296400000e-01 -6.7013000000e-01  5.6612400000e-01  4.1625000000e-01  2.0942130000e+00  1.4792290000e+00  1.0845500000e-01  1.3257110000e+00  9.9871000000e-01  1.2793200000e+00  2.2790420000e+00  1.1088500000e+00
+ENERGY -1.526576308333e+02
+FORCES -5.2380000000e-04  7.0704000000e-03  5.5708000000e-03  4.5431000000e-03  7.9180000000e-04  3.1522000000e-03 -2.8776000000e-03  5.1152000000e-03 -2.7661000000e-03 -2.8617000000e-03 -1.3589100000e-02 -1.4151600000e-02  3.4341000000e-03  1.7806000000e-03  6.8720000000e-03 -1.7142000000e-03 -1.1689000000e-03  1.3226000000e-03
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8105500000e-01 -7.2757600000e-01  2.2190100000e-01  6.1532000000e-02  5.9321100000e-01  7.4869700000e-01  7.5719800000e-01  6.3146800000e-01 -2.5553820000e+00  3.2205800000e-01  2.4577900000e-01 -1.7950350000e+00  8.4824700000e-01 -9.3857000000e-02 -3.1733190000e+00
+ENERGY -1.526593434929e+02
+FORCES  4.6631000000e-03  4.1481000000e-03 -4.7340000000e-04 -2.9741000000e-03  3.6130000000e-03 -2.3040000000e-03  7.3000000000e-05 -4.3553000000e-03 -1.9786000000e-03 -4.7131000000e-03 -2.7580000000e-03  1.0352300000e-02  3.3759000000e-03 -1.7212000000e-03 -9.6899000000e-03 -4.2480000000e-04  1.0733000000e-03  4.0937000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2504000000e-02  5.5606600000e-01  7.7901600000e-01  5.9923000000e-01 -7.1705300000e-01  2.0733900000e-01  1.7646020000e+00 -1.8212030000e+00  1.0319770000e+00  1.7795450000e+00 -2.6002830000e+00  1.5878930000e+00  2.5425700000e+00 -1.9048530000e+00  4.8061500000e-01
+ENERGY -1.526601152754e+02
+FORCES  8.2873000000e-03 -8.1869000000e-03  8.6776000000e-03 -6.2000000000e-04 -8.7560000000e-04 -2.1160000000e-03 -2.3275000000e-03  5.3657000000e-03 -5.8631000000e-03 -2.4625000000e-03 -1.4650000000e-04 -6.9320000000e-04  2.0035000000e-03  3.6959000000e-03 -2.7584000000e-03 -4.8808000000e-03  1.4750000000e-04  2.7531000000e-03
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6607100000e-01  4.1377300000e-01  8.2111500000e-01 -7.6035200000e-01 -5.1733200000e-01 -2.6545000000e-01  2.7571100000e+00 -9.5370000000e-01 -1.5009890000e+00  2.9493220000e+00 -1.6215780000e+00 -8.4279100000e-01  1.9532420000e+00 -1.2569580000e+00 -1.9229630000e+00
+ENERGY -1.526529896798e+02
+FORCES -3.7808000000e-03  1.0720000000e-03  3.0216000000e-03  1.1375000000e-03 -2.0139000000e-03 -3.5204000000e-03  4.2742000000e-03  1.4986000000e-03  3.1300000000e-04 -5.6780000000e-03 -2.1658000000e-03  3.2803000000e-03  2.5250000000e-04  1.9369000000e-03 -2.8969000000e-03  3.7946000000e-03 -3.2790000000e-04 -1.9760000000e-04
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2542000000e-02  6.0722000000e-02  9.5519000000e-01  9.1708300000e-01 -1.2381600000e-01 -2.4466300000e-01  2.6493490000e+00 -3.1068400000e-01 -5.9102400000e-01  2.8043170000e+00  1.8126700000e-01 -1.3973740000e+00  2.6388060000e+00  3.5420700000e-01  9.7481000000e-02
+ENERGY -1.526560003140e+02
+FORCES  1.3799900000e-02 -5.2921000000e-03 -2.4817000000e-03  2.4212000000e-03  6.1290000000e-04 -3.3837000000e-03 -5.7581000000e-03  7.9307000000e-03  5.6557000000e-03 -1.2354000000e-03  4.6909000000e-03 -1.0392000000e-03 -1.9983000000e-03 -2.5894000000e-03  5.1534000000e-03 -7.2294000000e-03 -5.3529000000e-03 -3.9045000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9023000000e-02 -3.9176400000e-01  8.7315000000e-01  9.2792500000e-01  1.9536000000e-02 -2.3410700000e-01 -2.8601450000e+00 -1.3791480000e+00 -1.7812000000e-02 -2.2910930000e+00 -2.0627820000e+00  3.3582000000e-01 -3.5618130000e+00 -1.8563180000e+00 -4.6075800000e-01
+ENERGY -1.526517881794e+02
+FORCES  2.6886000000e-03 -6.9660000000e-04  3.0941000000e-03  3.2110000000e-04  3.7560000000e-04 -3.8505000000e-03 -4.4120000000e-03 -2.5350000000e-04  5.7320000000e-04  8.5060000000e-04 -4.3603000000e-03 -1.6402000000e-03 -2.4884000000e-03  2.7167000000e-03  2.0440000000e-04  3.0402000000e-03  2.2182000000e-03  1.6191000000e-03
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0040200000e-01 -3.3304400000e-01  4.0579600000e-01  2.9876800000e-01  4.3421700000e-01 -7.9901500000e-01 -9.1354600000e-01  1.0350200000e+00  2.3196360000e+00 -1.8119470000e+00  1.3389370000e+00  2.4490250000e+00 -8.2894700000e-01  9.3283600000e-01  1.3716730000e+00
+ENERGY -1.526606060408e+02
+FORCES  3.8016000000e-03 -9.8600000000e-05  4.2741000000e-03 -3.6844000000e-03  2.2245000000e-03 -3.7566000000e-03 -1.4299000000e-03 -1.6178000000e-03  4.6010000000e-03  1.7332000000e-03 -4.2901000000e-03 -1.1342500000e-02  2.7914000000e-03 -1.0777000000e-03 -2.5713000000e-03 -3.2119000000e-03  4.8597000000e-03  8.7953000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7520700000e-01  6.5198400000e-01 -1.8773200000e-01 -3.9183400000e-01 -5.6682000000e-01  6.6439000000e-01 -2.0468430000e+00  2.0151970000e+00 -5.5064300000e-01 -2.7966360000e+00  1.4852830000e+00 -2.8002900000e-01 -1.8423130000e+00  2.5507500000e+00  2.1589700000e-01
+ENERGY -1.526594869817e+02
+FORCES -8.0351000000e-03  5.7013000000e-03 -1.8569000000e-03  6.3796000000e-03 -7.5823000000e-03  5.3985000000e-03  1.2210000000e-04  2.7628000000e-03 -2.1901000000e-03 -4.2690000000e-03  2.8958000000e-03  2.8001000000e-03  6.0968000000e-03  1.3385000000e-03 -3.4830000000e-04 -2.9440000000e-04 -5.1161000000e-03 -3.8033000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2072300000e-01  7.2805100000e-01 -2.9617000000e-02 -1.6835200000e-01 -4.9175300000e-01 -8.0378400000e-01 -3.1375030000e+00 -1.5436350000e+00  2.4032300000e-01 -2.3905490000e+00 -1.9594440000e+00  6.7089900000e-01 -2.7885670000e+00 -1.2272380000e+00 -5.9296500000e-01
+ENERGY -1.526543028867e+02
+FORCES -2.5284000000e-03  2.8017000000e-03 -3.0277000000e-03  2.9729000000e-03 -3.6248000000e-03 -6.3100000000e-04 -9.6400000000e-04  1.1293000000e-03  3.9663000000e-03  5.8847000000e-03 -4.7940000000e-04 -3.2380000000e-04 -4.3700000000e-03  6.4210000000e-04 -2.3525000000e-03 -9.9520000000e-04 -4.6890000000e-04  2.3686000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1786500000e-01 -4.7446300000e-01 -1.4904100000e-01 -6.8248000000e-01 -6.6587200000e-01 -8.4067000000e-02 -3.6746000000e-02  1.5171470000e+00 -2.3683000000e+00 -3.4218400000e-01  1.1415500000e+00 -1.5425480000e+00  8.9740700000e-01  1.6734350000e+00 -2.2298660000e+00
+ENERGY -1.526589087787e+02
+FORCES  2.5005000000e-03 -4.0001000000e-03 -3.8291000000e-03 -3.9401000000e-03  2.5768000000e-03  7.9400000000e-04  3.4046000000e-03  4.4157000000e-03 -8.7550000000e-04  2.8884000000e-03 -5.3686000000e-03  1.3063400000e-02 -3.0303000000e-03  3.1863000000e-03 -7.7827000000e-03 -1.8231000000e-03 -8.1010000000e-04 -1.3701000000e-03
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1508500000e-01 -6.3233300000e-01  7.1000000000e-02 -3.1146100000e-01  6.4410500000e-01 -6.3588700000e-01 -3.2617710000e+00  1.5086670000e+00  3.8466200000e-01 -3.5691130000e+00  1.2194560000e+00  1.2438070000e+00 -3.7738130000e+00  2.2958180000e+00  1.9908700000e-01
+ENERGY -1.526562417884e+02
+FORCES -6.5682000000e-03  1.5807000000e-03 -2.1412000000e-03  3.6978000000e-03  9.8290000000e-04  1.6890000000e-04  3.3530000000e-03 -2.8578000000e-03  1.3534000000e-03 -3.5559000000e-03  2.6307000000e-03  3.7480000000e-03  8.3180000000e-04  9.4670000000e-04 -3.8896000000e-03  2.2415000000e-03 -3.2832000000e-03  7.6060000000e-04
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5842500000e-01  4.5693700000e-01 -8.0041000000e-01  8.1466200000e-01  4.2574400000e-01  2.6701900000e-01 -9.5059100000e-01  1.4820560000e+00 -1.9163270000e+00 -1.7131200000e+00  9.9935700000e-01 -2.2353610000e+00 -1.3064320000e+00  2.0946310000e+00 -1.2726180000e+00
+ENERGY -1.526579112349e+02
+FORCES -4.5225000000e-03  1.1835700000e-02 -1.7523900000e-02  3.7390000000e-04 -4.7551000000e-03  9.0739000000e-03 -3.1240000000e-03  5.3780000000e-04 -1.4813000000e-03 -5.9950000000e-04 -4.7467000000e-03  9.2456000000e-03  4.8739000000e-03  2.0370000000e-03  3.5783000000e-03  2.9982000000e-03 -4.9088000000e-03 -2.8925000000e-03
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5079700000e-01  1.0812200000e-01  2.2955000000e-02  1.7826600000e-01 -3.7376000000e-01 -8.6299300000e-01  3.8133690000e+00 -1.5180910000e+00  1.9154800000e-01  4.6855060000e+00 -1.9105220000e+00  1.5147700000e-01  3.2131140000e+00 -2.2625950000e+00  1.5105600000e-01
+ENERGY -1.526536085161e+02
+FORCES -2.6932000000e-03 -4.2680000000e-04 -3.7038000000e-03  3.9941000000e-03 -4.8950000000e-04 -6.2000000000e-06 -1.2561000000e-03  9.4070000000e-04  3.6994000000e-03  8.0360000000e-04 -4.5372000000e-03  4.6260000000e-04 -3.6182000000e-03  1.6951000000e-03  1.5130000000e-04  2.7699000000e-03  2.8177000000e-03 -6.0340000000e-04
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6675200000e-01  5.1778000000e-02 -6.8483100000e-01  7.7799300000e-01 -3.3311600000e-01 -4.4720600000e-01  2.6772740000e+00 -7.2408000000e-01 -6.6160400000e-01  2.7785630000e+00 -1.2166520000e+00 -1.4760630000e+00  3.3840410000e+00 -7.8866000000e-02 -6.8187500000e-01
+ENERGY -1.526599322237e+02
+FORCES  8.2469000000e-03 -2.3068000000e-03 -3.4678000000e-03  3.5256000000e-03 -7.2530000000e-04  1.3256000000e-03 -1.0867400000e-02  1.0723000000e-03 -1.7630000000e-04  3.8402000000e-03  2.6847000000e-03 -5.7920000000e-04 -2.2577000000e-03  3.4493000000e-03  3.7997000000e-03 -2.4877000000e-03 -4.1742000000e-03 -9.0210000000e-04
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2127800000e-01  8.7399000000e-02 -6.2317800000e-01  3.4695200000e-01 -5.6416600000e-01  6.9106700000e-01 -2.1495180000e+00 -1.6204790000e+00 -6.1813000000e-01 -2.9225920000e+00 -1.2231190000e+00 -2.1726300000e-01 -1.4404190000e+00 -1.0043000000e+00 -4.3446600000e-01
+ENERGY -1.526613836977e+02
+FORCES  2.0362000000e-03 -3.1258000000e-03 -1.3526000000e-03 -3.1030000000e-03 -9.2160000000e-04  4.0376000000e-03 -2.9286000000e-03  2.4588000000e-03 -4.7816000000e-03  8.4341000000e-03  1.0405200000e-02  2.4964000000e-03  2.9881000000e-03 -6.7270000000e-04 -5.4720000000e-04 -7.4268000000e-03 -8.1440000000e-03  1.4740000000e-04
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5214500000e-01  5.2509000000e-02 -8.3036000000e-02  1.5129900000e-01 -7.7442600000e-01  5.4185300000e-01 -3.5049800000e-01  1.9939620000e+00 -2.3505830000e+00  5.6991400000e-01  1.7611340000e+00 -2.4725030000e+00 -3.9209600000e-01  2.3517550000e+00 -1.4637420000e+00
+ENERGY -1.526564248126e+02
+FORCES -4.3126000000e-03 -3.3203000000e-03  3.7540000000e-04  4.1956000000e-03  3.2030000000e-04  2.4443000000e-03 -7.1220000000e-04  3.1362000000e-03 -2.8675000000e-03  6.0167000000e-03 -2.2766000000e-03  5.4229000000e-03 -3.2151000000e-03  2.4332000000e-03 -1.5469000000e-03 -1.9724000000e-03 -2.9280000000e-04 -3.8281000000e-03
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7755900000e-01 -5.1340000000e-01 -5.6487000000e-01 -5.5821200000e-01  4.8669700000e-01 -6.0643000000e-01 -1.8229500000e-01 -1.2191400000e+00  2.5691860000e+00 -1.9860800000e-01 -4.7631100000e-01  3.1726500000e+00 -1.1181000000e-02 -8.2846900000e-01  1.7122560000e+00
+ENERGY -1.526608103225e+02
+FORCES -2.6927000000e-03 -2.9010000000e-04 -1.8929000000e-03 -3.3512000000e-03  2.4561000000e-03  3.2173000000e-03  3.8515000000e-03 -2.1986000000e-03  1.1939000000e-03 -7.4700000000e-05  7.6453000000e-03 -7.9938000000e-03 -2.3670000000e-04 -2.0602000000e-03 -1.6853000000e-03  2.5037000000e-03 -5.5525000000e-03  7.1609000000e-03
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4249700000e-01  2.8595100000e-01 -9.0230700000e-01  7.2005900000e-01 -6.0549500000e-01  1.7641500000e-01  1.8766060000e+00 -1.8483080000e+00  7.5036100000e-01  1.7426000000e+00 -2.5133660000e+00  1.4256180000e+00  2.7818090000e+00 -1.9742330000e+00  4.6578700000e-01
+ENERGY -1.526605312815e+02
+FORCES  9.1015000000e-03 -8.4610000000e-03  1.6630000000e-03  9.0190000000e-04 -1.4446000000e-03  2.6571000000e-03 -5.8097000000e-03  6.5299000000e-03 -3.3023000000e-03 -2.6438000000e-03  1.2784000000e-03  6.8010000000e-04  2.7959000000e-03  2.4190000000e-03 -3.4499000000e-03 -4.3458000000e-03 -3.2170000000e-04  1.7519000000e-03
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4150000000e-01 -4.7770200000e-01 -7.9354300000e-01  7.2641200000e-01  6.0607700000e-01  1.4570100000e-01 -9.3720500000e-01 -3.1645460000e+00  3.9881700000e-01 -1.3413190000e+00 -3.7989510000e+00 -1.9317300000e-01 -1.0450160000e+00 -3.5465590000e+00  1.2698360000e+00
+ENERGY -1.526534295985e+02
+FORCES  3.4615000000e-03 -1.9641000000e-03 -2.9887000000e-03 -3.9710000000e-04  3.9177000000e-03  2.0149000000e-03 -3.0184000000e-03 -2.6266000000e-03 -1.3450000000e-04 -2.5659000000e-03 -3.4400000000e-03  2.9661000000e-03  2.1048000000e-03  3.2086000000e-03  1.9526000000e-03  4.1520000000e-04  9.0440000000e-04 -3.8105000000e-03
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9837300000e-01  2.7670400000e-01 -1.8053400000e-01  5.0679000000e-02 -4.4163900000e-01  8.4771400000e-01  2.3276340000e+00  8.4026000000e-01 -4.1404300000e-01  3.1116630000e+00  1.1244520000e+00  5.5814000000e-02  2.2884150000e+00  1.4100770000e+00 -1.1821590000e+00
+ENERGY -1.526540919874e+02
+FORCES  2.4369400000e-02  7.0863000000e-03 -7.9890000000e-04 -4.2038000000e-03  3.4280000000e-04 -4.7260000000e-03  1.1229000000e-03  1.4325000000e-03 -1.6328000000e-03 -1.8487100000e-02 -5.4789000000e-03  6.1577000000e-03 -3.1591000000e-03 -1.6010000000e-04 -4.2835000000e-03  3.5760000000e-04 -3.2226000000e-03  5.2835000000e-03
+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1194500000e-01  2.6169400000e-01 -1.2690300000e-01 -2.3992000000e-02 -5.9988900000e-01  7.4551300000e-01 -1.0466600000e+00 -3.3090270000e+00  2.5080300000e-01 -9.4508600000e-01 -4.1030880000e+00 -2.7396400000e-01 -1.0343580000e+00 -3.6170400000e+00  1.1570090000e+00
+ENERGY -1.526551700635e+02
+FORCES -4.8381000000e-03 -4.6859000000e-03  1.6608000000e-03  3.5584000000e-03  3.0840000000e-04  5.6620000000e-04  1.0665000000e-03  4.5586000000e-03 -9.1870000000e-04  7.2610000000e-04 -5.7992000000e-03 -2.9550000000e-04 -8.1500000000e-04  3.0340000000e-03  2.6298000000e-03  3.0200000000e-04  2.5841000000e-03 -3.6426000000e-03
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9645100000e-01 -2.8267600000e-01 -1.8083500000e-01 -1.1410000000e-01  7.8937500000e-01 -5.2924500000e-01  2.5115090000e+00 -7.1701600000e-01 -7.0127900000e-01  3.3073580000e+00 -1.1376610000e+00 -3.7583600000e-01  2.8267280000e+00  8.9560000000e-03 -1.2396400000e+00
+ENERGY -1.526586777720e+02
+FORCES  1.3355700000e-02 -3.4488000000e-03 -3.9677000000e-03 -7.6883000000e-03  4.5720000000e-03  6.9900000000e-05  1.9125000000e-03 -2.2660000000e-03  8.9740000000e-04 -2.5258000000e-03  1.4964000000e-03  2.7169000000e-03 -2.7195000000e-03  3.0194000000e-03 -3.1623000000e-03 -2.3346000000e-03 -3.3731000000e-03  3.4458000000e-03
+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7419600000e-01 -4.6715600000e-01 -7.8918500000e-01 -3.7490100000e-01  8.7538700000e-01 -9.6847000000e-02 -2.8124620000e+00 -1.2968270000e+00  3.3606100000e-01 -1.9577000000e+00 -1.7235990000e+00  3.9504100000e-01 -2.7691670000e+00 -7.8332700000e-01 -4.7058300000e-01
+ENERGY -1.526525282571e+02
+FORCES -3.7497000000e-03  3.4366000000e-03 -2.3185000000e-03 -1.3375000000e-03  3.2480000000e-04  4.4918000000e-03  1.8642000000e-03 -4.0004000000e-03 -5.9650000000e-04  7.3269000000e-03  2.3443000000e-03 -9.0610000000e-04 -4.5260000000e-03 -5.2390000000e-04 -2.5253000000e-03  4.2220000000e-04 -1.5814000000e-03  1.8545000000e-03
+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3910000000e-02  7.6260000000e-01 -5.7239200000e-01 -4.9694500000e-01 -6.3432300000e-01 -5.1663500000e-01  2.1397260000e+00 -1.8330930000e+00  8.1921200000e-01  2.9587130000e+00 -1.6427320000e+00  3.6176900000e-01  1.6292470000e+00 -1.0269780000e+00  7.4290300000e-01
+ENERGY -1.526608397451e+02
+FORCES -2.6940000000e-03 -1.2975000000e-03 -4.8200000000e-03 -1.5200000000e-05 -4.0270000000e-03  2.2144000000e-03  2.0462000000e-03  4.2958000000e-03  1.9104000000e-03 -3.7372000000e-03  7.5785000000e-03 -2.9734000000e-03 -2.9518000000e-03 -1.7520000000e-04  1.0772000000e-03  7.3520000000e-03 -6.3746000000e-03  2.5916000000e-03
+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3022000000e-02 -5.8141100000e-01 -7.5467900000e-01  2.5143800000e-01 -5.7906300000e-01  7.1951200000e-01 -2.6368800000e-01 -1.7609670000e+00 -1.9142780000e+00 -1.1911210000e+00 -1.9762500000e+00 -1.8155170000e+00 -1.6669800000e-01 -1.5362750000e+00 -2.8396630000e+00
+ENERGY -1.526585635290e+02
+FORCES  7.8310000000e-04 -1.4937600000e-02 -1.4372100000e-02 -2.8584000000e-03  5.7482000000e-03  6.8238000000e-03 -1.4456000000e-03  6.5990000000e-04 -2.2798000000e-03 -5.1770000000e-04  6.9008000000e-03  4.4907000000e-03  5.8654000000e-03  2.8447000000e-03  6.8700000000e-05 -1.8268000000e-03 -1.2161000000e-03  5.2686000000e-03
+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8135900000e-01  5.3403100000e-01  1.4325100000e-01  7.1612700000e-01  6.3265900000e-01 -5.6004000000e-02 -2.6481390000e+00  2.2247100000e-01  6.7805000000e-02 -2.6626430000e+00 -1.2029900000e-01  9.6141000000e-01 -2.8399040000e+00 -5.3623300000e-01 -4.8339900000e-01
+ENERGY -1.526587161500e+02
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+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8273200000e-01  4.1514400000e-01 -7.7291900000e-01  7.2254000000e-01 -4.9099000000e-01  3.9127500000e-01 -1.2711660000e+00 -1.7413630000e+00 -1.6830440000e+00 -1.3147980000e+00 -2.5550350000e+00 -1.1807840000e+00 -8.6985500000e-01 -1.1111930000e+00 -1.0846560000e+00
+ENERGY -1.526588896079e+02
+FORCES  3.3840000000e-03 -2.3020000000e-03 -2.7341000000e-03 -4.2398000000e-03 -5.5578000000e-03  3.4218000000e-03 -4.4657000000e-03  1.8080000000e-03 -2.8906000000e-03  5.3298000000e-03  7.9107000000e-03  1.3054500000e-02  1.0467000000e-03  2.4493000000e-03 -9.0320000000e-04 -1.0550000000e-03 -4.3082000000e-03 -9.9483000000e-03
+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2764300000e-01  2.3010000000e-01  5.2585000000e-02  1.0879700000e-01 -7.0546000000e-01  6.3774700000e-01  2.6230400000e-01 -1.6547130000e+00  2.0199950000e+00  2.4803500000e-01 -1.0449890000e+00  2.7577380000e+00  9.2248100000e-01 -2.3052840000e+00  2.2590670000e+00
+ENERGY -1.526590400015e+02
+FORCES  3.5280000000e-04 -1.3122300000e-02  1.2706400000e-02  2.6699000000e-03 -8.3320000000e-04  1.5744000000e-03 -1.7865000000e-03  7.0012000000e-03 -4.9901000000e-03  1.9053000000e-03  6.6749000000e-03 -5.6205000000e-03  1.4870000000e-04 -3.8632000000e-03 -3.9917000000e-03 -3.2902000000e-03  4.1428000000e-03  3.2160000000e-04
+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1891300000e-01 -7.1233300000e-01 -1.6050000000e-01 -2.6428100000e-01  6.8937300000e-01 -6.0922300000e-01  6.0161000000e-01  2.3277880000e+00 -1.4623590000e+00  1.3105000000e-01  2.7495700000e+00 -2.1813200000e+00  7.5497200000e-01  3.0306220000e+00 -8.3090300000e-01
+ENERGY -1.526590045984e+02
+FORCES  4.5620000000e-04  5.9530000000e-03 -5.9377000000e-03  1.8742000000e-03  3.5833000000e-03 -8.5280000000e-04 -4.1973000000e-03 -7.7533000000e-03  5.0600000000e-03  1.8848000000e-03  4.1586000000e-03  1.5916000000e-03  1.3493000000e-03 -3.0093000000e-03  4.1041000000e-03 -1.3673000000e-03 -2.9323000000e-03 -3.9651000000e-03
+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8692600000e-01 -4.8058000000e-01 -4.6196000000e-01 -4.4090900000e-01  7.7625000000e-01  3.4535000000e-01  1.5848320000e+00 -1.7051270000e+00  1.4918020000e+00  1.2454140000e+00 -2.2044350000e+00  2.2345790000e+00  8.0585900000e-01 -1.3405980000e+00  1.0716210000e+00
+ENERGY -1.526587411104e+02
+FORCES -1.0410000000e-03  2.9482000000e-03  7.1270000000e-04  4.1282000000e-03  1.0414000000e-03  4.7871000000e-03  1.2928000000e-03 -4.2482000000e-03 -2.4157000000e-03 -7.0513000000e-03  6.8082000000e-03 -4.5718000000e-03 -4.4060000000e-04  2.6719000000e-03 -3.0915000000e-03  3.1119000000e-03 -9.2215000000e-03  4.5793000000e-03
+
+JOB 60
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9528400000e-01  8.6732400000e-01 -2.7710700000e-01  7.7010600000e-01 -3.9706000000e-01  4.0683200000e-01 -2.7762410000e+00  8.8340200000e-01  7.1200800000e-01 -1.9142940000e+00  4.7022900000e-01  7.6268400000e-01 -2.7710750000e+00  1.3474810000e+00 -1.2515100000e-01
+ENERGY -1.526599716109e+02
+FORCES  5.5212000000e-03  1.0894000000e-03 -2.1900000000e-05 -2.4536000000e-03 -4.1689000000e-03  1.6095000000e-03 -3.2745000000e-03  2.4705000000e-03 -2.2230000000e-03  7.8482000000e-03 -3.1701000000e-03 -4.4542000000e-03 -7.7138000000e-03  4.1734000000e-03  2.3546000000e-03  7.2500000000e-05 -3.9420000000e-04  2.7351000000e-03
+
+JOB 61
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1936700000e-01 -2.4403700000e-01 -4.3048300000e-01 -5.8257400000e-01 -7.4381200000e-01 -1.5356800000e-01 -6.2605900000e-01  1.3369170000e+00  2.1265740000e+00 -2.2113100000e-01  6.6869800000e-01  1.5736300000e+00  1.0809600000e-01  1.7477860000e+00  2.5831220000e+00
+ENERGY -1.526567682232e+02
+FORCES -2.3232000000e-03  3.4667000000e-03  5.5652000000e-03 -4.6387000000e-03  1.0290000000e-03  2.4556000000e-03  4.2139000000e-03  3.9516000000e-03  1.4547000000e-03  6.2042000000e-03 -8.1018000000e-03 -1.4573100000e-02 -2.5529000000e-03  1.7337000000e-03  8.0336000000e-03 -9.0330000000e-04 -2.0792000000e-03 -2.9361000000e-03
+
+JOB 62
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1348300000e-01  5.1307600000e-01  6.9427400000e-01  5.4299400000e-01 -6.3751300000e-01  4.6364400000e-01 -1.5963850000e+00 -1.5307590000e+00 -1.5303460000e+00 -1.3306520000e+00 -8.9805500000e-01 -8.6303500000e-01 -2.3721560000e+00 -1.1419150000e+00 -1.9343420000e+00
+ENERGY -1.526585540771e+02
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+
+JOB 63
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6664200000e-01  2.7552100000e-01 -7.2058100000e-01 -7.0429900000e-01 -4.9128200000e-01 -4.2289200000e-01  7.4188700000e-01  7.1929400000e-01 -2.4344140000e+00  5.4174100000e-01  2.1876400000e-01 -3.2253900000e+00  1.5647000000e-02  1.3372720000e+00 -2.3512840000e+00
+ENERGY -1.526563763376e+02
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+
+JOB 64
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6765600000e-01  4.0263400000e-01  4.0598300000e-01 -2.8933600000e-01  6.3841200000e-01 -6.5187900000e-01 -1.5346460000e+00  2.3927990000e+00  1.8894560000e+00 -1.7490510000e+00  1.5954290000e+00  2.3736710000e+00 -1.7797390000e+00  2.1975500000e+00  9.8500100000e-01
+ENERGY -1.526555324943e+02
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+
+JOB 65
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6583800000e-01  2.2494400000e-01  5.2832300000e-01  2.9237600000e-01 -7.2773300000e-01 -5.4877300000e-01 -1.9835000000e-02 -2.1094430000e+00 -1.6441390000e+00  4.7849900000e-01 -2.9141560000e+00 -1.7867330000e+00 -3.3176200000e-01 -1.8628590000e+00 -2.5148450000e+00
+ENERGY -1.526596541333e+02
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+
+JOB 66
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8055500000e-01  5.8293000000e-01 -3.3655500000e-01 -3.4608300000e-01 -3.1630900000e-01  8.3451000000e-01  7.3848600000e-01 -1.0156930000e+00 -2.3986460000e+00  4.4824400000e-01 -8.4926100000e-01 -1.5018230000e+00  1.6860500000e+00 -1.1305570000e+00 -2.3268100000e+00
+ENERGY -1.526606446765e+02
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+
+JOB 67
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+ENERGY -1.526587067876e+02
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+
+JOB 68
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+ENERGY -1.526606477374e+02
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+
+JOB 69
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+ENERGY -1.526587156862e+02
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+
+JOB 70
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+ENERGY -1.526561001488e+02
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+
+JOB 71
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+ENERGY -1.526590106632e+02
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+
+JOB 72
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+ENERGY -1.526544067729e+02
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+JOB 73
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+ENERGY -1.526607785507e+02
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+JOB 74
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+ENERGY -1.526565130468e+02
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+JOB 75
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+ENERGY -1.526611856128e+02
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+JOB 76
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+ENERGY -1.526608238712e+02
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+
+JOB 77
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9236100000e-01 -8.0283400000e-01 -3.4313500000e-01  6.8052500000e-01  3.8175600000e-01  5.5441800000e-01 -7.3235000000e-02 -2.4573570000e+00 -1.6824790000e+00  6.7957400000e-01 -3.0415600000e+00 -1.5918310000e+00  1.6241000000e-02 -2.0849620000e+00 -2.5597170000e+00
+ENERGY -1.526586164827e+02
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+
+JOB 78
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+ENERGY -1.526516640911e+02
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+
+JOB 79
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1500000000e-04 -4.7279700000e-01  8.3228300000e-01  9.0610200000e-01  2.8683700000e-01 -1.1373200000e-01  1.3382470000e+00  2.3231910000e+00 -2.7279070000e+00  1.2893760000e+00  2.8914890000e+00 -3.4965950000e+00  5.4588500000e-01  1.7881690000e+00 -2.7742360000e+00
+ENERGY -1.526566268132e+02
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+
+JOB 80
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+ENERGY -1.526597917771e+02
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+
+JOB 81
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+ENERGY -1.526531479673e+02
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+
+JOB 82
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+ENERGY -1.526610371771e+02
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+
+JOB 83
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+ENERGY -1.526601849709e+02
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+
+JOB 84
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+ENERGY -1.526525692616e+02
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+
+JOB 85
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+ENERGY -1.526582610757e+02
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+
+JOB 86
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+ENERGY -1.526601650565e+02
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+
+JOB 87
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+
+JOB 88
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+ENERGY -1.526617616345e+02
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+
+JOB 89
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+ENERGY -1.526547271898e+02
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+
+JOB 90
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+ENERGY -1.526535404146e+02
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+
+JOB 91
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+ENERGY -1.526586897422e+02
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+
+JOB 92
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+ENERGY -1.526595295252e+02
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+
+JOB 93
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+ENERGY -1.526566271838e+02
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+
+JOB 94
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+ENERGY -1.526606291899e+02
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+JOB 95
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+ENERGY -1.526557366813e+02
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+JOB 96
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+JOB 97
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+ENERGY -1.526598098312e+02
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+JOB 98
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+ENERGY -1.526605083314e+02
+FORCES -9.9996000000e-03  5.8837000000e-03  4.3360000000e-03  8.3425000000e-03 -2.2121000000e-03 -5.2232000000e-03 -2.9568000000e-03 -1.2817000000e-03  9.4500000000e-04  5.2840000000e-04 -3.9098000000e-03  1.0362000000e-03  2.9190000000e-04  3.9912000000e-03 -3.3035000000e-03  3.7936000000e-03 -2.4713000000e-03  2.2095000000e-03
+
+JOB 99
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2084100000e-01  2.3050300000e-01 -1.2309200000e-01  2.5010100000e-01  4.3721500000e-01  8.1395600000e-01 -2.2292900000e-01 -1.0703490000e+00 -3.6204330000e+00  2.5525400000e-01 -4.2183300000e-01 -3.1037130000e+00  3.3766100000e-01 -1.8461480000e+00 -3.6101020000e+00
+ENERGY -1.526567187108e+02
+FORCES -3.4776000000e-03  2.3975000000e-03  3.9050000000e-03  4.4140000000e-03 -3.7740000000e-04  7.3230000000e-04 -1.1797000000e-03 -1.8614000000e-03 -3.3902000000e-03  4.8504000000e-03 -5.9120000000e-04  3.6797000000e-03 -2.4302000000e-03 -2.3533000000e-03 -4.1604000000e-03 -2.1768000000e-03  2.7858000000e-03 -7.6640000000e-04
+
+JOB 100
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2753000000e-02  7.6402900000e-01  5.6911200000e-01  2.1189700000e-01 -7.4516000000e-01  5.6219900000e-01  2.5358830000e+00 -1.2601700000e-01 -6.6448800000e-01  1.5797430000e+00 -1.0490900000e-01 -6.2469800000e-01  2.8126370000e+00  6.6921000000e-01 -2.0923600000e-01
+ENERGY -1.526554858600e+02
+FORCES  9.9582000000e-03  1.1320000000e-04  3.3669000000e-03  2.1036000000e-03 -4.2525000000e-03 -3.8129000000e-03  1.7273000000e-03  5.3660000000e-03 -5.3242000000e-03 -2.0531400000e-02  4.4615000000e-03  3.2963000000e-03  8.9948000000e-03 -3.5670000000e-03  2.5701000000e-03 -2.2526000000e-03 -2.1211000000e-03 -9.6200000000e-05
+
+JOB 101
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7551700000e-01 -3.3618200000e-01 -1.9153000000e-01  4.1226800000e-01 -6.8799600000e-01  5.2242500000e-01 -1.9566920000e+00 -1.7691730000e+00 -5.5533700000e-01 -2.7688880000e+00 -1.2658210000e+00 -6.1194800000e-01 -2.1358780000e+00 -2.4406470000e+00  1.0287800000e-01
+ENERGY -1.526558304117e+02
+FORCES -1.0302500000e-02 -1.5226200000e-02 -2.4081000000e-03 -3.7880000000e-04  8.6278000000e-03  6.1310000000e-04  1.2840000000e-04  2.1890000000e-03 -2.4600000000e-04  2.2831000000e-03  9.7910000000e-04  3.6995000000e-03  7.2322000000e-03 -3.2490000000e-04  1.7587000000e-03  1.0377000000e-03  3.7552000000e-03 -3.4172000000e-03
+
+JOB 102
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0344700000e-01 -1.8457900000e-01  4.8645100000e-01  4.8115200000e-01 -8.2743700000e-01  8.5050000000e-03  1.6391820000e+00 -2.2110750000e+00  2.8738000000e-02  2.3815720000e+00 -2.1028760000e+00  6.2319800000e-01  1.2002560000e+00 -3.0046960000e+00  3.3491000000e-01
+ENERGY -1.526602894494e+02
+FORCES  6.9840000000e-03 -1.1729200000e-02  5.5260000000e-04  3.0344000000e-03 -1.0813000000e-03 -1.2125000000e-03 -7.8368000000e-03  7.9062000000e-03  9.3180000000e-04  6.4840000000e-04  1.2550000000e-03  3.1859000000e-03 -4.3376000000e-03 -1.7175000000e-03 -2.7638000000e-03  1.5075000000e-03  5.3668000000e-03 -6.9400000000e-04
+
+JOB 103
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1598000000e-02 -7.1930200000e-01  6.2485700000e-01 -4.3850000000e-01  7.4000000000e-01  4.1993900000e-01  6.8643200000e-01  3.1341600000e+00 -1.4220150000e+00 -2.5395000000e-02  2.5592730000e+00 -1.7031560000e+00  1.0802000000e+00  3.4448690000e+00 -2.2372680000e+00
+ENERGY -1.526550125140e+02
+FORCES -1.0050000000e-03  2.5410000000e-04  5.4010000000e-03  4.9860000000e-04  2.9822000000e-03 -2.4962000000e-03  4.9610000000e-04 -3.6334000000e-03 -2.9007000000e-03 -2.3650000000e-04 -2.5324000000e-03 -5.1952000000e-03  1.8616000000e-03  3.8692000000e-03  2.0285000000e-03 -1.6148000000e-03 -9.3960000000e-04  3.1625000000e-03
+
+JOB 104
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3700000000e-02 -9.3082400000e-01 -2.1063400000e-01 -6.6883500000e-01  3.2964600000e-01 -6.0018800000e-01 -2.2411110000e+00  5.6877900000e-01 -1.6454360000e+00 -2.5323180000e+00  1.1863370000e+00 -2.3162950000e+00 -3.0507780000e+00  2.2831500000e-01 -1.2649690000e+00
+ENERGY -1.526613896517e+02
+FORCES -7.8649000000e-03  2.1240000000e-04 -8.0901000000e-03 -5.0030000000e-04  2.3894000000e-03  1.0680000000e-03  6.8630000000e-03 -1.9838000000e-03  5.8085000000e-03 -1.9284000000e-03  8.9530000000e-04  8.0520000000e-04 -5.5500000000e-05 -3.3786000000e-03  3.3482000000e-03  3.4861000000e-03  1.8652000000e-03 -2.9398000000e-03
+
+JOB 105
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5457700000e-01 -4.1465200000e-01 -1.1829600000e-01  4.0735700000e-01 -3.8677000000e-02 -8.6533000000e-01  2.6362260000e+00  2.7278800000e-01  2.3287160000e+00  3.3929700000e+00  8.0367700000e-01  2.0802670000e+00  2.5893680000e+00 -4.0749200000e-01  1.6569600000e+00
+ENERGY -1.526537929002e+02
+FORCES -3.3658000000e-03 -1.0261000000e-03 -3.9416000000e-03  3.8015000000e-03  1.8108000000e-03  4.0820000000e-04 -8.4000000000e-04 -2.2050000000e-04  4.1788000000e-03  6.3040000000e-04 -6.7100000000e-04 -4.7795000000e-03 -2.9005000000e-03 -2.0692000000e-03  8.5300000000e-04  2.6743000000e-03  2.1760000000e-03  3.2811000000e-03
+
+JOB 106
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3901200000e-01 -1.3213400000e-01  1.3049700000e-01  6.3536000000e-02  4.6073900000e-01 -8.3660900000e-01  1.7529200000e+00 -2.0384630000e+00  1.1963500000e-01  1.1661630000e+00 -1.2932180000e+00  2.4831200000e-01  2.6032080000e+00 -1.7315920000e+00  4.3439300000e-01
+ENERGY -1.526606594282e+02
+FORCES  1.8304000000e-03 -5.1403000000e-03 -3.3636000000e-03  4.5125000000e-03  1.3612000000e-03 -1.7356000000e-03 -1.5190000000e-03 -1.6449000000e-03  4.5001000000e-03 -8.7609000000e-03  1.1839800000e-02  8.0220000000e-04  7.0720000000e-03 -7.0802000000e-03  1.1062000000e-03 -3.1350000000e-03  6.6430000000e-04 -1.3093000000e-03
+
+JOB 107
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8344600000e-01  2.0032700000e-01 -3.0923200000e-01 -2.4248700000e-01  7.5349100000e-01  5.3822300000e-01  2.6482380000e+00  7.1086000000e-01 -3.5142100000e-01  3.2219660000e+00  1.0797770000e+00  3.2012100000e-01  2.7753500000e+00  1.2766960000e+00 -1.1129350000e+00
+ENERGY -1.526593749733e+02
+FORCES  1.3177300000e-02  5.5149000000e-03  7.4840000000e-04 -8.4030000000e-03 -1.6043000000e-03 -2.9270000000e-03  3.5540000000e-04 -1.8984000000e-03 -1.2166000000e-03 -1.1037000000e-03  1.2514000000e-03  3.1858000000e-03 -2.0345000000e-03 -5.3170000000e-04 -4.4456000000e-03 -1.9915000000e-03 -2.7318000000e-03  4.6550000000e-03
+
+JOB 108
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2752700000e-01 -1.6433900000e-01  1.7005200000e-01  1.5874100000e-01 -3.8837000000e-01 -8.6035000000e-01  1.0083480000e+00  2.1427280000e+00  3.3602070000e+00  1.0124040000e+00  2.8490710000e+00  4.0061900000e+00  1.4537670000e+00  1.4162480000e+00  3.7961650000e+00
+ENERGY -1.526532046785e+02
+FORCES -3.4820000000e-03 -1.5814000000e-03 -2.5029000000e-03  3.7896000000e-03  2.2720000000e-04 -9.7970000000e-04 -4.9870000000e-04  1.6027000000e-03  3.6112000000e-03  2.2279000000e-03 -6.4650000000e-04  3.8975000000e-03 -1.6230000000e-04 -2.8489000000e-03 -2.7975000000e-03 -1.8745000000e-03  3.2469000000e-03 -1.2286000000e-03
+
+JOB 109
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8000000000e-01 -3.7514200000e-01  3.3181000000e-02  1.1016100000e-01  2.7338000000e-01 -9.1069200000e-01 -2.1442750000e+00 -1.4942990000e+00 -1.2793070000e+00 -2.8483350000e+00 -1.6319900000e+00 -1.9130040000e+00 -1.8715630000e+00 -2.3767580000e+00 -1.0280570000e+00
+ENERGY -1.526594288419e+02
+FORCES -7.9110000000e-03 -2.3596000000e-03 -7.5871000000e-03  5.1100000000e-03  5.9860000000e-04  4.5317000000e-03  1.8841000000e-03  5.4080000000e-04  2.9872000000e-03 -1.0053000000e-03 -3.2737000000e-03 -1.5438000000e-03  3.8639000000e-03 -2.7360000000e-04  2.3443000000e-03 -1.9417000000e-03  4.7675000000e-03 -7.3230000000e-04
+
+JOB 110
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6638800000e-01 -1.4989500000e-01 -5.5354500000e-01 -8.2207000000e-02  9.1097800000e-01  2.8212200000e-01 -9.1638000000e-02 -1.5389490000e+00  2.2265240000e+00 -4.8919200000e-01 -2.2886350000e+00  1.7836320000e+00 -1.6760000000e-03 -8.7588300000e-01  1.5420660000e+00
+ENERGY -1.526585570239e+02
+FORCES -4.0758000000e-03 -1.8093000000e-03  2.6134000000e-03  3.9850000000e-03  9.3550000000e-04  3.1865000000e-03 -1.5000000000e-04 -6.4732000000e-03  1.1040000000e-04  4.3640000000e-04  6.8901000000e-03 -1.6416900000e-02  3.2530000000e-04  1.8004000000e-03  1.0961000000e-03 -5.2080000000e-04 -1.3436000000e-03  9.4105000000e-03
+
+JOB 111
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6924000000e-02 -6.3133100000e-01 -7.1794900000e-01  9.0653000000e-01  1.0131200000e-01  2.9012100000e-01 -2.6622250000e+00 -2.1110000000e-01  7.3527300000e-01 -1.7866690000e+00 -3.0357400000e-01  3.5966500000e-01 -3.1577330000e+00  2.7087100000e-01  7.3149000000e-02
+ENERGY -1.526577897838e+02
+FORCES  1.4148000000e-03 -2.0830000000e-04  3.1882000000e-03 -3.2217000000e-03  3.3034000000e-03  4.9528000000e-03 -3.4072000000e-03 -9.1830000000e-04 -3.3172000000e-03  1.0440500000e-02  3.8514000000e-03 -2.9629000000e-03 -7.4640000000e-03 -4.1932000000e-03 -3.2914000000e-03  2.2376000000e-03 -1.8349000000e-03  1.4303000000e-03
+
+JOB 112
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5162600000e-01  6.6098700000e-01 -4.1837500000e-01  5.6976200000e-01 -4.1186700000e-01  6.4959100000e-01  2.8252610000e+00 -1.2434280000e+00  5.4055000000e-02  3.3170500000e+00 -2.0431510000e+00  2.4065000000e-01  2.9373850000e+00 -7.0451800000e-01  8.3714900000e-01
+ENERGY -1.526542932553e+02
+FORCES  8.3246000000e-03 -2.4747000000e-03 -1.7299000000e-03 -2.9441000000e-03 -8.6910000000e-04  2.3780000000e-03 -3.0439000000e-03  3.8494000000e-03  1.3767000000e-03  3.9305000000e-03 -2.4398000000e-03  2.4120000000e-03 -2.3454000000e-03  3.8883000000e-03 -6.7300000000e-04 -3.9218000000e-03 -1.9541000000e-03 -3.7638000000e-03
+
+JOB 113
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+ENERGY -1.526553270477e+02
+FORCES -2.8590000000e-04 -6.8255000000e-03  1.1229900000e-02  3.1360000000e-03 -2.9978000000e-03  3.7513000000e-03 -4.4207000000e-03 -1.7128000000e-03 -1.8968000000e-03  8.1605000000e-03  1.3394000000e-02 -1.5993100000e-02 -1.2798000000e-03  5.2450000000e-04  1.2189000000e-03 -5.3101000000e-03 -2.3823000000e-03  1.6898000000e-03
+
+JOB 114
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0582400000e-01  6.2860100000e-01  3.9251700000e-01  6.2068400000e-01  5.3897400000e-01 -4.9039800000e-01  1.5463160000e+00 -1.6644890000e+00  2.0185080000e+00  1.2356640000e+00 -2.0201420000e+00  2.8511170000e+00  9.5889700000e-01 -9.3090100000e-01  1.8367950000e+00
+ENERGY -1.526577895709e+02
+FORCES  2.6710000000e-04  4.4406000000e-03 -4.7128000000e-03  3.9423000000e-03 -3.8917000000e-03  7.9700000000e-05 -3.5172000000e-03 -2.0798000000e-03  2.6909000000e-03 -5.3340000000e-03  2.8906000000e-03 -2.0270000000e-03  3.4520000000e-04  1.9147000000e-03 -3.2980000000e-03  4.2966000000e-03 -3.2744000000e-03  7.2672000000e-03
+
+JOB 115
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4838100000e-01 -1.8936400000e-01  5.6595000000e-01 -1.1574000000e-02 -6.9811000000e-01 -6.5478300000e-01  1.1491910000e+00 -3.1025000000e-01  2.8986930000e+00  6.7790300000e-01 -1.0513940000e+00  2.5181340000e+00  4.8086500000e-01  3.6511100000e-01  3.0147060000e+00
+ENERGY -1.526511841325e+02
+FORCES -2.0401000000e-03 -2.8064000000e-03 -6.5160000000e-04  3.9656000000e-03  3.4600000000e-04 -3.9850000000e-04  2.8520000000e-04  2.7748000000e-03  3.5962000000e-03 -4.0459000000e-03  1.1025000000e-03 -5.7785000000e-03  2.3000000000e-04  1.8072000000e-03  2.9175000000e-03  1.6052000000e-03 -3.2240000000e-03  3.1490000000e-04
+
+JOB 116
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+ENERGY -1.526615586951e+02
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+
+JOB 117
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+ENERGY -1.526592315180e+02
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+
+JOB 118
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+ENERGY -1.526563892644e+02
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+
+JOB 119
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+ENERGY -1.526538004072e+02
+FORCES -2.4893000000e-03  3.5017000000e-03 -2.6157000000e-03  1.0763000000e-03 -7.2900000000e-04  4.1774000000e-03  2.0047000000e-03 -2.9016000000e-03 -1.2396000000e-03  2.7065000000e-03 -3.6877000000e-03  1.5591000000e-03 -3.1700000000e-04  1.0201000000e-03 -3.7689000000e-03 -2.9811000000e-03  2.7965000000e-03  1.8877000000e-03
+
+JOB 120
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+
+JOB 121
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5848000000e-01  8.4014700000e-01  1.3448000000e-02  9.1999200000e-01  2.2644800000e-01  1.3626200000e-01  1.6894780000e+00  2.3266450000e+00 -1.7266410000e+00  2.5661490000e+00  2.0594690000e+00 -2.0028620000e+00  1.3869760000e+00  2.9118290000e+00 -2.4211070000e+00
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+
+JOB 122
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2555000000e-02  6.8695200000e-01  6.6619800000e-01 -1.0179400000e-01  4.6669600000e-01 -8.2949700000e-01 -6.0030100000e-01  7.9026800000e-01 -2.5504880000e+00 -1.3915210000e+00  1.3284210000e+00 -2.5748980000e+00 -8.4146100000e-01 -1.2151000000e-02 -3.0133030000e+00
+ENERGY -1.526606037010e+02
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+
+JOB 123
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+ENERGY -1.526571305597e+02
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+
+JOB 124
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6060700000e-01  4.5001700000e-01 -5.2660600000e-01 -4.6659800000e-01 -7.3933900000e-01  3.8973800000e-01 -1.9222300000e+00  1.3076850000e+00 -1.1097770000e+00 -2.6517460000e+00  8.6493600000e-01 -1.5433810000e+00 -2.3380020000e+00  1.9638860000e+00 -5.5052200000e-01
+ENERGY -1.526570948729e+02
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+
+JOB 125
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+ENERGY -1.526606221442e+02
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+
+JOB 126
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+ENERGY -1.526579395307e+02
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+
+JOB 127
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6653000000e-01  2.8126500000e-01 -7.1844700000e-01  8.6284000000e-01 -1.0366900000e-01 -4.0123700000e-01 -1.5397000000e-01 -2.8874140000e+00 -2.1478400000e+00  5.3290000000e-02 -3.0947700000e+00 -3.0590360000e+00 -1.0400090000e+00 -3.2263290000e+00 -2.0201500000e+00
+ENERGY -1.526548151331e+02
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+
+JOB 128
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9716200000e-01  5.5467700000e-01 -5.0196000000e-01 -5.2001100000e-01 -7.7201800000e-01  2.2317700000e-01 -9.7478500000e-01 -9.5318400000e-01 -3.0142380000e+00 -3.8632200000e-01 -3.3627200000e-01 -2.5790800000e+00 -7.2940300000e-01 -1.8084850000e+00 -2.6614210000e+00
+ENERGY -1.526560717301e+02
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+
+JOB 129
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1279000000e-01 -4.6790000000e-01 -4.3500800000e-01 -4.3203900000e-01  7.1575300000e-01  4.6612400000e-01 -1.5235900000e-01  2.1942750000e+00  1.4822020000e+00  7.6511500000e-01  2.4650690000e+00  1.5160130000e+00 -3.0100600000e-01  1.7456700000e+00  2.3146020000e+00
+ENERGY -1.526586856987e+02
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+
+JOB 130
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+ENERGY -1.526580526488e+02
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+
+JOB 131
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+ENERGY -1.526522143469e+02
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+
+JOB 132
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+ENERGY -1.526558641310e+02
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+JOB 133
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+
+JOB 134
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+ENERGY -1.526536745477e+02
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+
+JOB 135
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+ENERGY -1.526589429318e+02
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+JOB 136
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+ENERGY -1.526600382074e+02
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+JOB 137
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+ENERGY -1.526585154950e+02
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+JOB 138
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+ENERGY -1.526594594970e+02
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+JOB 139
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+ENERGY -1.526574598851e+02
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+JOB 140
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+JOB 141
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+ENERGY -1.526553263830e+02
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+JOB 142
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+ENERGY -1.526596437016e+02
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+
+JOB 143
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+ENERGY -1.526590882594e+02
+FORCES -7.1400000000e-04  3.0552000000e-03 -4.8806000000e-03  4.3000000000e-04 -3.6682000000e-03 -1.5159000000e-03 -5.6040000000e-04  1.7878000000e-03  4.8065000000e-03 -2.7010000000e-04  1.7690000000e-03  5.0127000000e-03 -2.4468000000e-03  3.0894000000e-03 -4.8800000000e-05  3.5613000000e-03 -6.0333000000e-03 -3.3738000000e-03
+
+JOB 144
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+ENERGY -1.526510411698e+02
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+
+JOB 145
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2423900000e-01 -1.4838800000e-01  6.0802200000e-01 -2.2093900000e-01 -8.7190000000e-01 -3.2742600000e-01 -1.7687510000e+00  1.9859340000e+00 -1.0457760000e+00 -1.0963470000e+00  1.4085710000e+00 -6.8417200000e-01 -2.2205530000e+00  1.4495960000e+00 -1.6972730000e+00
+ENERGY -1.526603603241e+02
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+
+JOB 146
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1061800000e-01 -9.3158000000e-02  9.2908200000e-01 -7.5570000000e-01 -5.7217000000e-01 -1.3330800000e-01 -1.5687910000e+00  2.8658060000e+00  6.0848300000e-01 -1.3111000000e+00  2.3892550000e+00  1.3976120000e+00 -2.1116960000e+00  2.2465060000e+00  1.2067700000e-01
+ENERGY -1.526526508323e+02
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+
+JOB 147
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1823200000e-01  4.8306200000e-01  1.1567200000e-01 -6.4918300000e-01  5.0742200000e-01  4.8715100000e-01 -4.9187100000e-01 -1.7042140000e+00  1.9357730000e+00 -3.1435200000e-01 -1.0243330000e+00  1.2857880000e+00 -8.0366600000e-01 -1.2260860000e+00  2.7041540000e+00
+ENERGY -1.526531375409e+02
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+
+JOB 148
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7725400000e-01 -5.5833100000e-01  6.7983600000e-01 -5.9448800000e-01 -5.7580500000e-01 -4.8089900000e-01  2.1479870000e+00  1.1262330000e+00 -1.3221210000e+00  1.2645720000e+00  9.2784500000e-01 -1.0115530000e+00  2.0225590000e+00  1.8057790000e+00 -1.9844770000e+00
+ENERGY -1.526611675021e+02
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+
+JOB 149
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+ENERGY -1.526547556706e+02
+FORCES -4.0499000000e-03  3.9632000000e-03  2.2682000000e-03  6.3486000000e-03  1.4302000000e-03  9.2380000000e-04 -1.1681000000e-03 -2.5901000000e-03  9.5359000000e-03 -4.5820000000e-04 -9.3008000000e-03 -1.3466500000e-02 -4.5830000000e-04  1.0805200000e-02  2.9927000000e-03 -2.1410000000e-04 -4.3076000000e-03 -2.2542000000e-03
+
+JOB 150
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+ENERGY -1.526579316009e+02
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+
+JOB 151
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1984700000e-01 -9.4961800000e-01 -9.7130000000e-03 -8.7468300000e-01  1.2775800000e-01  3.6720500000e-01  1.7527170000e+00  1.3492360000e+00  1.8918190000e+00  1.4532650000e+00  5.9828100000e-01  1.3793470000e+00  2.6834450000e+00  1.1824260000e+00  2.0406530000e+00
+ENERGY -1.526589725185e+02
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+
+JOB 152
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+JOB 153
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+JOB 154
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+
+JOB 155
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+
+JOB 156
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+
+JOB 157
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+
+JOB 158
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+JOB 159
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+JOB 160
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+JOB 161
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+ENERGY -1.526592453860e+02
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+JOB 162
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+JOB 163
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+JOB 164
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+JOB 165
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9805800000e-01  3.1291400000e-01 -1.0866600000e-01 -2.4903700000e-01 -3.2043900000e-01 -8.6690900000e-01  6.7267500000e-01 -2.4702040000e+00  1.2705650000e+00  2.0335500000e-01 -3.1447290000e+00  7.7966000000e-01  3.0882000000e-01 -1.6443220000e+00  9.5156700000e-01
+ENERGY -1.526605327915e+02
+FORCES  4.0431000000e-03  5.0310000000e-04 -4.3563000000e-03 -5.1199000000e-03 -2.3744000000e-03  4.8300000000e-04  1.5493000000e-03  7.0800000000e-05  5.2451000000e-03 -5.5400000000e-03  8.7807000000e-03 -5.1620000000e-03  1.3062000000e-03  2.9032000000e-03  5.1740000000e-04  3.7613000000e-03 -9.8834000000e-03  3.2728000000e-03
+
+JOB 166
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2867200000e-01  4.3080800000e-01 -7.8905700000e-01 -9.0138700000e-01  3.1059200000e-01  8.5242000000e-02 -2.3770310000e+00  1.4574770000e+00 -6.4092300000e-01 -3.2413620000e+00  1.0722160000e+00 -4.9691600000e-01 -2.1549400000e+00  1.2190530000e+00 -1.5409570000e+00
+ENERGY -1.526582912888e+02
+FORCES -8.6448000000e-03  8.7131000000e-03 -2.6535000000e-03 -1.2468000000e-03 -1.9902000000e-03  1.0884000000e-03  6.0349000000e-03 -6.5923000000e-03  5.0690000000e-04 -2.2553000000e-03 -1.4885000000e-03 -4.1354000000e-03  5.3335000000e-03  1.0886000000e-03 -5.1060000000e-04  7.7850000000e-04  2.6940000000e-04  5.7042000000e-03
+
+JOB 167
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5995900000e-01 -3.9049800000e-01  4.3151500000e-01 -3.4212200000e-01  7.8842600000e-01 -4.2138900000e-01 -2.5769710000e+00 -6.3940600000e-01  8.4565200000e-01 -2.5861420000e+00 -1.3719520000e+00  1.4617080000e+00 -3.0769170000e+00 -9.5325100000e-01  9.2137000000e-02
+ENERGY -1.526598173636e+02
+FORCES -1.4734300000e-02  2.4140000000e-04  3.8219000000e-03  9.1724000000e-03 -1.3149000000e-03 -1.0697000000e-03  1.6185000000e-03 -1.9892000000e-03 -4.2000000000e-05 -5.9930000000e-04 -2.2739000000e-03 -2.5670000000e-03  1.8560000000e-03  3.7690000000e-03 -4.3903000000e-03  2.6868000000e-03  1.5676000000e-03  4.2470000000e-03
+
+JOB 168
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3993200000e-01 -1.7889600000e-01 -9.2986400000e-01  7.0677900000e-01 -5.9310900000e-01  2.5478900000e-01  1.0134000000e-02 -7.7181000000e-01 -2.7945310000e+00 -1.9105600000e-01 -1.6292080000e+00 -3.1695290000e+00 -2.8401600000e-01 -1.4556500000e-01 -3.4559880000e+00
+ENERGY -1.526613196387e+02
+FORCES  2.5861000000e-03 -4.8979000000e-03 -9.7661000000e-03 -9.7410000000e-04  4.0038000000e-03  8.4694000000e-03 -2.1472000000e-03  1.4155000000e-03  2.6300000000e-05 -1.6910000000e-03 -1.3005000000e-03 -2.7291000000e-03  1.2187000000e-03  4.4654000000e-03  7.6480000000e-04  1.0074000000e-03 -3.6863000000e-03  3.2347000000e-03
+
+JOB 169
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4068700000e-01 -7.4536600000e-01 -2.6137800000e-01  5.3668500000e-01  4.7500700000e-01  6.3448400000e-01  1.0248690000e+00  1.0558660000e+00  2.5852850000e+00  1.9231690000e+00  8.6056700000e-01  2.8520210000e+00  4.7966400000e-01  6.0381800000e-01  3.2292070000e+00
+ENERGY -1.526604517838e+02
+FORCES  5.4094000000e-03  1.9320000000e-03  6.5930000000e-03 -1.4505000000e-03  2.4036000000e-03  1.4062000000e-03 -2.5516000000e-03 -3.8516000000e-03 -9.0258000000e-03 -7.6450000000e-04 -2.8145000000e-03  5.2913000000e-03 -4.4531000000e-03  4.5100000000e-05 -2.0139000000e-03  3.8103000000e-03  2.2853000000e-03 -2.2508000000e-03
+
+JOB 170
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1783100000e-01 -9.1367800000e-01  2.5988400000e-01  5.5531300000e-01  3.7433300000e-01  6.8391100000e-01 -2.6734610000e+00  5.4999600000e-01 -9.8347000000e-02 -3.0170410000e+00 -7.3000000000e-03  5.9994100000e-01 -1.7306010000e+00  3.8495900000e-01 -9.5112000000e-02
+ENERGY -1.526588156367e+02
+FORCES -1.5742000000e-03  4.4680000000e-04  3.2933000000e-03 -2.1981000000e-03  6.4222000000e-03 -3.3980000000e-04 -2.8866000000e-03 -3.3012000000e-03 -3.1864000000e-03  1.4629400000e-02 -2.4408000000e-03  1.9361000000e-03  2.5523000000e-03  7.6390000000e-04 -1.9476000000e-03 -1.0522800000e-02 -1.8908000000e-03  2.4440000000e-04
+
+JOB 171
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9314800000e-01  7.7864100000e-01  5.2215300000e-01 -8.3351600000e-01 -3.1979800000e-01  3.4527100000e-01  8.8857500000e-01  2.4380510000e+00  8.6336000000e-01  1.5195760000e+00  2.5311370000e+00  1.4963400000e-01  1.3679500000e-01  2.9632370000e+00  5.8906700000e-01
+ENERGY -1.526603134550e+02
+FORCES  3.8208000000e-03  1.0704200000e-02  6.8971000000e-03 -5.5851000000e-03 -8.6935000000e-03 -5.0746000000e-03  2.4983000000e-03  3.2939000000e-03 -2.8470000000e-04  1.9100000000e-04 -2.9200000000e-04 -6.8989000000e-03 -4.0261000000e-03 -2.2740000000e-04  3.9596000000e-03  3.1011000000e-03 -4.7853000000e-03  1.4015000000e-03
+
+JOB 172
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9461000000e-02 -2.1756300000e-01 -9.3168100000e-01 -8.7570300000e-01  3.6243100000e-01  1.3423600000e-01 -2.7111990000e+00  8.5442400000e-01  9.0029200000e-01 -2.8376170000e+00  1.5249230000e+00  1.5716210000e+00 -3.4084880000e+00  1.0165410000e+00  2.6488900000e-01
+ENERGY -1.526608768401e+02
+FORCES -8.0401000000e-03  1.7761000000e-03  2.7670000000e-04 -9.5170000000e-04  9.6200000000e-04  2.9015000000e-03  9.3604000000e-03 -2.5162000000e-03 -4.4575000000e-03 -3.7184000000e-03  3.3369000000e-03  2.1447000000e-03 -4.9880000000e-04 -3.0498000000e-03 -3.6661000000e-03  3.8485000000e-03 -5.0900000000e-04  2.8007000000e-03
+
+JOB 173
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4367500000e-01 -6.8667700000e-01  3.8616600000e-01 -8.5941700000e-01 -1.1844100000e-01  4.0448200000e-01 -2.6278330000e+00  1.2533200000e-01 -2.5172530000e+00 -3.2587310000e+00  5.2044700000e-01 -3.1189870000e+00 -3.0293990000e+00 -7.0438400000e-01 -2.2592830000e+00
+ENERGY -1.526529289460e+02
+FORCES -2.1502000000e-03 -2.5762000000e-03  2.4170000000e-03 -2.3038000000e-03  2.7059000000e-03 -1.8120000000e-03  3.9167000000e-03 -2.3570000000e-04 -5.9650000000e-04 -3.8197000000e-03 -1.8107000000e-03 -2.2604000000e-03  2.8078000000e-03 -1.6740000000e-03  2.5885000000e-03  1.5493000000e-03  3.5908000000e-03 -3.3650000000e-04
+
+JOB 174
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2368300000e-01  1.6798600000e-01 -7.0642200000e-01  2.7039000000e-01 -8.4325400000e-01  3.6337800000e-01  1.6338500000e+00  9.4372500000e-01 -2.1223560000e+00  2.2050210000e+00  2.0595700000e-01 -1.9085950000e+00  1.7919960000e+00  1.5796780000e+00 -1.4246560000e+00
+ENERGY -1.526556671190e+02
+FORCES  4.3767000000e-03  6.6320000000e-04 -9.1110000000e-03  1.6526000000e-03 -2.0459000000e-03  9.9121000000e-03  7.9640000000e-04  3.3858000000e-03 -2.8441000000e-03  4.0634000000e-03  2.3379000000e-03  2.1622000000e-03 -7.6355000000e-03  2.5407000000e-03  2.3635000000e-03 -3.2536000000e-03 -6.8817000000e-03 -2.4828000000e-03
+
+JOB 175
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4622000000e-01 -7.5329500000e-01  5.3680000000e-01 -4.0451600000e-01  6.1134500000e-01  6.1551300000e-01  2.0027220000e+00  5.9064700000e-01 -1.7170340000e+00  1.3484400000e+00  5.8255800000e-01 -1.0184050000e+00  1.4905810000e+00  5.7871000000e-01 -2.5256130000e+00
+ENERGY -1.526603857319e+02
+FORCES  3.7735000000e-03 -1.4207000000e-03 -1.7400000000e-04 -1.9144000000e-03  4.8325000000e-03 -1.9238000000e-03  3.0146000000e-03 -3.3391000000e-03 -3.2233000000e-03 -1.3813600000e-02 -3.2714000000e-03  7.7277000000e-03  7.5462000000e-03  3.0233000000e-03 -4.3818000000e-03  1.3937000000e-03  1.7530000000e-04  1.9752000000e-03
+
+JOB 176
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0008600000e-01  2.4426700000e-01  2.1543000000e-01 -4.1970000000e-03 -9.5652200000e-01  3.5782000000e-02 -1.7802760000e+00  1.7891840000e+00  1.0150920000e+00 -1.5268450000e+00  2.4441320000e+00  1.6655130000e+00 -1.1014860000e+00  1.1169040000e+00  1.0743860000e+00
+ENERGY -1.526576985189e+02
+FORCES  7.9030000000e-04 -4.9920000000e-04 -9.7120000000e-04 -5.7892000000e-03 -8.6010000000e-04  7.3510000000e-04  3.9250000000e-04  5.3294000000e-03  1.6080000000e-04  7.6075000000e-03 -7.6387000000e-03 -3.3730000000e-03  1.2548000000e-03 -3.2283000000e-03 -2.6806000000e-03 -4.2558000000e-03  6.8970000000e-03  6.1288000000e-03
+
+JOB 177
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0081300000e-01 -6.5090300000e-01  3.7664000000e-02  3.3199300000e-01  7.3980000000e-01  5.0863400000e-01  1.2391130000e+00  1.9626910000e+00  1.1540060000e+00  4.7739400000e-01  2.5375760000e+00  1.0796820000e+00  1.9193370000e+00  2.3979630000e+00  6.4013300000e-01
+ENERGY -1.526551203628e+02
+FORCES  1.4751800000e-02  1.4038900000e-02  1.0928200000e-02 -1.2745000000e-03  1.5523000000e-03 -7.3550000000e-04 -9.5575000000e-03  7.0910000000e-04 -1.7260000000e-03 -3.4184000000e-03 -6.9461000000e-03 -9.8403000000e-03  3.2930000000e-03 -8.0076000000e-03 -2.0258000000e-03 -3.7943000000e-03 -1.3465000000e-03  3.3994000000e-03
+
+JOB 178
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1763000000e-01 -4.5533100000e-01  4.4035600000e-01 -1.1187700000e-01  9.1836300000e-01  2.4561200000e-01 -3.8586800000e-01 -1.2784440000e+00 -2.3691600000e+00 -1.3137160000e+00 -1.0843830000e+00 -2.5020900000e+00 -1.7428200000e-01 -8.7415800000e-01 -1.5277230000e+00
+ENERGY -1.526584028332e+02
+FORCES -2.3129000000e-03  1.3851000000e-03 -3.3511000000e-03  3.1760000000e-03  2.4779000000e-03 -5.4771000000e-03 -6.6080000000e-04 -5.1635000000e-03  2.8610000000e-04  1.2238000000e-03  9.5678000000e-03  1.1572500000e-02  2.3233000000e-03 -5.2120000000e-04  1.4998000000e-03 -3.7495000000e-03 -7.7462000000e-03 -4.5302000000e-03
+
+JOB 179
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2147800000e-01 -3.5139100000e-01  6.3759000000e-01 -4.3922300000e-01 -1.0157400000e-01 -8.4439200000e-01 -1.6153860000e+00 -1.0102540000e+00  1.8710940000e+00 -1.1896670000e+00 -1.8025940000e+00  2.1984960000e+00 -1.5614770000e+00 -3.9069700000e-01  2.5987440000e+00
+ENERGY -1.526605286154e+02
+FORCES -1.2636100000e-02 -6.9433000000e-03  1.0385200000e-02  7.6460000000e-03  4.5017000000e-03 -6.0934000000e-03  3.5570000000e-04 -4.9160000000e-04  3.0043000000e-03  5.6371000000e-03  1.5736000000e-03 -9.9570000000e-04 -1.9062000000e-03  5.1398000000e-03 -1.7013000000e-03  9.0360000000e-04 -3.7803000000e-03 -4.5991000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3513700000e-01 -7.1289600000e-01  5.9390300000e-01  5.7022000000e-01  7.2453700000e-01  2.5715300000e-01 -2.1048460000e+00  1.7479620000e+00  1.7381700000e-01 -1.3416620000e+00  1.1897380000e+00  2.4928000000e-02 -2.6147560000e+00  1.2850360000e+00  8.3858900000e-01
+ENERGY -1.526579711866e+02
+FORCES -1.6404000000e-03  8.4530000000e-04  4.2736000000e-03 -1.4390000000e-04  4.0202000000e-03 -2.7385000000e-03 -7.2222000000e-03 -2.9057000000e-03 -1.2553000000e-03  7.8782000000e-03 -1.3273100000e-02  5.1340000000e-04  1.3100000000e-05  9.7751000000e-03  5.7220000000e-04  1.1152000000e-03  1.5381000000e-03 -1.3654000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6009600000e-01  5.7567500000e-01 -7.1915300000e-01  8.4101600000e-01 -3.6415700000e-01 -2.7624800000e-01 -9.1434300000e-01  1.1504040000e+00 -2.1224550000e+00 -4.2195200000e-01  1.6082280000e+00 -2.8037630000e+00 -1.4465510000e+00  5.1282800000e-01 -2.5983580000e+00
+ENERGY -1.526575396083e+02
+FORCES -5.1802000000e-03  9.4588000000e-03 -1.8059900000e-02  2.3474000000e-03 -3.2968000000e-03  6.6321000000e-03 -2.3342000000e-03  1.4331000000e-03 -5.3370000000e-04  4.0526000000e-03 -8.0796000000e-03  8.2946000000e-03 -2.4430000000e-03 -3.8962000000e-03  2.9527000000e-03  3.5573000000e-03  4.3807000000e-03  7.1410000000e-04
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4131900000e-01 -5.8592100000e-01  1.5288800000e-01 -7.6980200000e-01 -5.2429600000e-01  2.2079700000e-01  1.0424140000e+00  1.2891070000e+00  2.2147000000e+00  5.4936900000e-01  1.0207400000e+00  1.4393820000e+00  3.8295100000e-01  1.6566420000e+00  2.8031370000e+00
+ENERGY -1.526605143832e+02
+FORCES  1.4047000000e-03 -4.7363000000e-03  2.9982000000e-03 -4.7806000000e-03  4.7058000000e-03  5.5940000000e-04  4.1680000000e-03  3.0156000000e-03 -2.5270000000e-04 -7.6782000000e-03 -3.0537000000e-03 -9.8596000000e-03  5.9481000000e-03  1.9996000000e-03  9.2217000000e-03  9.3800000000e-04 -1.9309000000e-03 -2.6669000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4160100000e-01 -7.4165800000e-01 -2.6989500000e-01 -6.2318000000e-02  5.4873400000e-01 -7.8181800000e-01 -1.0514440000e+00  1.1491090000e+00 -2.2034740000e+00 -4.5180300000e-01  1.6143680000e+00 -2.7867380000e+00 -1.6902200000e+00  7.4361600000e-01 -2.7897950000e+00
+ENERGY -1.526572180045e+02
+FORCES -5.0623000000e-03  3.9176000000e-03 -1.2641500000e-02 -1.9323000000e-03  2.4466000000e-03 -1.3760000000e-04  7.1103000000e-03 -4.2970000000e-04  5.5260000000e-03 -2.0928000000e-03 -5.1663000000e-03  1.6344000000e-03 -1.6078000000e-03 -4.1045000000e-03  4.5953000000e-03  3.5850000000e-03  3.3363000000e-03  1.0234000000e-03
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5805200000e-01  6.4905600000e-01  2.4884900000e-01  4.5310500000e-01 -2.0783400000e-01  8.1714900000e-01 -2.1871380000e+00  1.7567950000e+00  2.1505200000e-01 -2.8002860000e+00  1.0714480000e+00 -5.0616000000e-02 -2.4567530000e+00  2.5270840000e+00 -2.8514300000e-01
+ENERGY -1.526613978166e+02
+FORCES -5.7167000000e-03  7.8005000000e-03  2.9051000000e-03  5.2710000000e-03 -9.2635000000e-03  4.6900000000e-05 -2.3140000000e-03  1.4043000000e-03 -2.1746000000e-03 -8.6250000000e-04  4.1530000000e-04 -4.5058000000e-03  4.1859000000e-03  3.6456000000e-03  1.4421000000e-03 -5.6370000000e-04 -4.0022000000e-03  2.2863000000e-03
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6831200000e-01  3.9115500000e-01 -9.6253000000e-02 -5.9973100000e-01  6.5714700000e-01 -3.5314500000e-01  2.2206860000e+00  1.5496850000e+00  4.6714000000e-02  3.0089520000e+00  1.3120940000e+00 -4.4156800000e-01  2.5475570000e+00  1.9979790000e+00  8.2672700000e-01
+ENERGY -1.526599427838e+02
+FORCES  1.0896500000e-02  1.0985600000e-02 -4.2200000000e-04 -5.2390000000e-03 -6.4464000000e-03 -2.4802000000e-03  1.3061000000e-03 -1.7010000000e-03  1.0962000000e-03 -2.6848000000e-03 -2.0228000000e-03  3.6216000000e-03 -4.4741000000e-03  6.8210000000e-04  3.1338000000e-03  1.9530000000e-04 -1.4974000000e-03 -4.9495000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.8312000000e-02  6.3477600000e-01  7.0966600000e-01 -8.3119500000e-01 -4.7448800000e-01 -1.4428000000e-02 -1.1155100000e+00  2.6545750000e+00 -1.4532460000e+00 -1.1870520000e+00  1.8322880000e+00 -1.9379710000e+00 -2.3766500000e-01  2.9774570000e+00 -1.6566370000e+00
+ENERGY -1.526561789013e+02
+FORCES -4.6956000000e-03  3.1902000000e-03  3.7260000000e-03  1.4715000000e-03 -4.0109000000e-03 -1.8338000000e-03  3.2848000000e-03  1.8477000000e-03 -9.7520000000e-04  5.4471000000e-03 -4.9871000000e-03 -2.3679000000e-03 -1.8785000000e-03  4.1015000000e-03  5.8450000000e-04 -3.6295000000e-03 -1.4140000000e-04  8.6640000000e-04
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4931900000e-01  3.0820500000e-01  8.9383700000e-01 -7.6120100000e-01 -5.7624900000e-01  6.8859000000e-02 -1.9029050000e+00 -9.2616100000e-01  2.8415740000e+00 -1.9212820000e+00  2.7600000000e-04  2.6015530000e+00 -2.7503730000e+00 -1.2655090000e+00  2.5536990000e+00
+ENERGY -1.526552396923e+02
+FORCES -1.6985000000e-03 -3.5107000000e-03  5.3279000000e-03 -1.2198000000e-03  8.6080000000e-04 -3.7879000000e-03  2.1736000000e-03  3.5585000000e-03 -2.0270000000e-03 -5.2679000000e-03  2.1193000000e-03  1.4750000000e-04  1.7972000000e-03 -4.5821000000e-03 -2.7730000000e-04  4.2153000000e-03  1.5542000000e-03  6.1680000000e-04
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2386700000e-01 -2.2027000000e-02 -6.2591000000e-01 -6.1024900000e-01  6.4283900000e-01 -3.6136700000e-01 -2.0337590000e+00 -1.5630150000e+00  4.5098900000e-01 -1.1678320000e+00 -1.1681490000e+00  3.4859900000e-01 -1.9717350000e+00 -2.4000910000e+00 -9.1060000000e-03
+ENERGY -1.526586368170e+02
+FORCES -8.0359000000e-03 -4.4471000000e-03 -1.8243000000e-03 -4.4770000000e-03  7.7750000000e-04  2.2720000000e-03  4.0584000000e-03 -4.7898000000e-03  1.6019000000e-03  1.6243100000e-02  7.6500000000e-03 -3.2987000000e-03 -9.2639000000e-03 -2.1571000000e-03  6.3210000000e-04  1.4753000000e-03  2.9665000000e-03  6.1700000000e-04
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4146700000e-01 -6.0035500000e-01  7.7665000000e-02 -7.7178400000e-01 -5.6374800000e-01  5.2631000000e-02  9.9407600000e-01  2.4321340000e+00  1.3601230000e+00  1.6833000000e-01  2.9010070000e+00  1.4806750000e+00  7.6423300000e-01  1.6764240000e+00  8.1947000000e-01
+ENERGY -1.526605817534e+02
+FORCES -1.7412000000e-03 -4.2116000000e-03  1.5416000000e-03 -3.7609000000e-03  3.7361000000e-03  4.6100000000e-05  4.0127000000e-03  1.4107000000e-03 -7.5570000000e-04 -7.1479000000e-03 -5.9380000000e-03 -4.3890000000e-03  2.4758000000e-03 -8.7400000000e-04  1.0100000000e-04  6.1616000000e-03  5.8768000000e-03  3.4560000000e-03
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8268000000e-01 -6.7082400000e-01 -1.3223000000e-02 -1.9876300000e-01  1.5835300000e-01 -9.2284800000e-01 -7.0313900000e-01 -3.3886770000e+00  4.4140000000e-01  3.5535000000e-02 -3.9941110000e+00  5.0497300000e-01 -7.0557000000e-01 -2.9243290000e+00  1.2784230000e+00
+ENERGY -1.526553823485e+02
+FORCES  8.2540000000e-04 -3.9918000000e-03 -5.1661000000e-03 -1.4563000000e-03  3.8110000000e-03  1.2372000000e-03  1.2295000000e-03  3.0310000000e-04  3.5466000000e-03  8.5480000000e-04 -4.8340000000e-04  4.6670000000e-03 -2.5112000000e-03  3.4909000000e-03 -7.2190000000e-04  1.0577000000e-03 -3.1298000000e-03 -3.5628000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2530400000e-01 -6.5153900000e-01 -3.1737100000e-01 -2.3037000000e-01  5.0981500000e-01 -7.7669200000e-01 -1.2757970000e+00  1.5597940000e+00 -1.8613230000e+00 -2.0320810000e+00  1.8023970000e+00 -1.3270850000e+00 -1.6480200000e+00  1.3235070000e+00 -2.7109410000e+00
+ENERGY -1.526609853114e+02
+FORCES -3.7206000000e-03  5.9103000000e-03 -1.0139700000e-02 -2.4079000000e-03  2.3789000000e-03 -6.2200000000e-04  4.6074000000e-03 -5.3485000000e-03  7.7771000000e-03 -3.1213000000e-03 -3.0376000000e-03  2.6382000000e-03  3.5904000000e-03 -1.2396000000e-03 -3.8994000000e-03  1.0521000000e-03  1.3365000000e-03  4.2458000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4753700000e-01 -1.7066300000e-01  6.8396000000e-01 -5.0109600000e-01  4.0083900000e-01 -7.1025500000e-01  1.5301930000e+00  1.3294570000e+00  1.8319360000e+00  1.9685040000e+00  2.1562940000e+00  1.6307970000e+00  1.2406270000e+00  9.9832600000e-01  9.8179700000e-01
+ENERGY -1.526607215437e+02
+FORCES -3.4516000000e-03  2.0648000000e-03  4.3279000000e-03  2.9191000000e-03  1.0514000000e-03 -4.7954000000e-03  2.3343000000e-03 -1.3338000000e-03  3.9656000000e-03 -4.7369000000e-03 -4.4679000000e-03 -9.8833000000e-03 -2.3065000000e-03 -2.8604000000e-03 -1.1936000000e-03  5.2415000000e-03  5.5460000000e-03  7.5789000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5799400000e-01  4.2450600000e-01  4.0183500000e-01  6.3848500000e-01  7.0438500000e-01 -1.1139700000e-01 -1.2132720000e+00 -1.0334900000e+00 -2.3715510000e+00 -1.9726500000e+00 -1.5761040000e+00 -2.5840300000e+00 -1.1598540000e+00 -1.0590030000e+00 -1.4161840000e+00
+ENERGY -1.526576077149e+02
+FORCES  1.8667000000e-03  5.9295000000e-03 -2.8069000000e-03  2.3352000000e-03 -3.7250000000e-03 -3.1307000000e-03 -2.8262000000e-03 -2.3632000000e-03  2.4000000000e-03  2.6044000000e-03  1.1350000000e-04  6.3200000000e-03  2.8272000000e-03  2.5379000000e-03  2.5258000000e-03 -6.8074000000e-03 -2.4927000000e-03 -5.3083000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2302500000e-01 -6.2682700000e-01  2.3556000000e-02  7.8102100000e-01 -5.3910400000e-01 -1.2492400000e-01 -8.4302600000e-01  1.2310860000e+00 -2.1966680000e+00 -5.2150500000e-01  8.2821600000e-01 -1.3901000000e+00 -1.3203230000e+00  2.0072810000e+00 -1.9035110000e+00
+ENERGY -1.526596221773e+02
+FORCES -8.0670000000e-04 -4.3910000000e-04 -6.4038000000e-03  4.1912000000e-03  4.8668000000e-03 -2.2453000000e-03 -5.1369000000e-03  2.2155000000e-03  4.9530000000e-04  6.8642000000e-03 -5.5200000000e-03  1.6051900000e-02 -6.3465000000e-03  1.8372000000e-03 -8.4772000000e-03  1.2348000000e-03 -2.9603000000e-03  5.7910000000e-04
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7727300000e-01 -2.1866000000e-01  7.3155700000e-01  5.6972200000e-01  6.8919300000e-01  3.4155700000e-01 -9.7133200000e-01  9.8935200000e-01 -2.3487530000e+00 -5.6895300000e-01  5.7316000000e-01 -1.5864500000e+00 -1.7788720000e+00  1.3775000000e+00 -2.0119250000e+00
+ENERGY -1.526597715611e+02
+FORCES -2.9462000000e-03  3.0375000000e-03 -8.4660000000e-04  3.3660000000e-03  2.2692000000e-03 -3.0212000000e-03 -4.2099000000e-03 -3.4241000000e-03 -1.9595000000e-03  2.7104000000e-03 -5.7674000000e-03  1.4502500000e-02 -9.5380000000e-04  4.8496000000e-03 -8.1763000000e-03  2.0335000000e-03 -9.6480000000e-04 -4.9900000000e-04
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2326200000e-01 -4.1794700000e-01 -2.5257000000e-01 -7.5542000000e-02  7.5413500000e-01 -5.8464200000e-01  2.7347860000e+00  1.7154410000e+00 -8.1900300000e-01  3.0471930000e+00  8.9861800000e-01 -4.2985800000e-01  2.4425730000e+00  1.4670860000e+00 -1.6960230000e+00
+ENERGY -1.526528858162e+02
+FORCES  4.5707000000e-03  4.3536000000e-03 -2.8504000000e-03 -2.0072000000e-03  4.7370000000e-04  5.9090000000e-04 -1.2061000000e-03 -4.2576000000e-03  9.7760000000e-04  1.7624000000e-03 -3.6049000000e-03 -1.0497000000e-03 -2.5974000000e-03  2.6212000000e-03 -2.4286000000e-03 -5.2240000000e-04  4.1410000000e-04  4.7603000000e-03
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2902600000e-01  6.1950900000e-01  3.1007000000e-02  1.4494300000e-01 -5.7883000000e-01  7.4845100000e-01  8.3847000000e-01 -1.2100430000e+00  2.2632820000e+00  2.1270500000e-01 -1.6199210000e+00  2.8604840000e+00  1.2441570000e+00 -5.1462200000e-01  2.7810090000e+00
+ENERGY -1.526586462421e+02
+FORCES  7.7673000000e-03 -6.9466000000e-03  1.4003500000e-02 -1.8139000000e-03 -9.4710000000e-04  4.7890000000e-04 -4.5597000000e-03  3.2092000000e-03 -6.9377000000e-03 -2.2068000000e-03  5.2472000000e-03 -1.3565000000e-03  3.0904000000e-03  3.0274000000e-03 -3.4271000000e-03 -2.2774000000e-03 -3.5900000000e-03 -2.7611000000e-03
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5561000000e-01  7.2189000000e-02 -4.2302800000e-01 -5.3418500000e-01  6.7249400000e-01 -4.2264700000e-01 -2.8637340000e+00  1.5680320000e+00  1.8832780000e+00 -2.7267440000e+00  9.0297100000e-01  1.2086230000e+00 -3.5744310000e+00  2.1117780000e+00  1.5434510000e+00
+ENERGY -1.526540379428e+02
+FORCES  2.9968000000e-03  3.6734000000e-03 -3.1095000000e-03 -3.5701000000e-03 -3.4760000000e-04  1.5894000000e-03  6.3700000000e-04 -3.7791000000e-03  1.8115000000e-03 -2.4305000000e-03 -1.6955000000e-03 -3.0123000000e-03 -9.9040000000e-04  4.3167000000e-03  1.5991000000e-03  3.3571000000e-03 -2.1678000000e-03  1.1217000000e-03
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7311800000e-01 -3.8190800000e-01  5.6328500000e-01  6.5989400000e-01 -6.8805400000e-01 -8.5750000000e-02  1.4861380000e+00  1.3490340000e+00  1.7511110000e+00  1.0119730000e+00  9.0131300000e-01  1.0504370000e+00  1.9140200000e+00  6.4540100000e-01  2.2390140000e+00
+ENERGY -1.526565640033e+02
+FORCES  1.2832000000e-03 -1.6140000000e-04  6.3486000000e-03  5.2379000000e-03  1.6526000000e-03 -2.6533000000e-03 -1.9192000000e-03  6.5280000000e-03  4.4160000000e-03 -1.0452300000e-02 -9.2994000000e-03 -1.2076900000e-02  8.2864000000e-03  7.8380000000e-04  6.9595000000e-03 -2.4359000000e-03  4.9630000000e-04 -2.9938000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5885000000e-01  3.9685500000e-01  1.4530900000e-01  4.6315900000e-01  6.2692900000e-01 -5.5558600000e-01  1.0499280000e+00 -1.3431900000e+00  2.2566790000e+00  1.6977600000e-01 -1.7192300000e+00  2.2441260000e+00  1.0974160000e+00 -8.1681400000e-01  1.4586150000e+00
+ENERGY -1.526590600821e+02
+FORCES -2.3070000000e-03  2.5226000000e-03  1.6280000000e-03  3.9595000000e-03 -1.9363000000e-03 -1.5377000000e-03 -1.9120000000e-03 -3.0226000000e-03  3.7107000000e-03 -7.3444000000e-03  4.3584000000e-03 -1.0721400000e-02  1.8365000000e-03  3.8820000000e-04  1.9184000000e-03  5.7674000000e-03 -2.3103000000e-03  5.0020000000e-03
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8308400000e-01 -2.4475600000e-01 -6.2427700000e-01 -6.0779500000e-01  5.3752500000e-01 -5.0782200000e-01  6.3108200000e-01  1.4077320000e+00  2.2117890000e+00  5.2243900000e-01  8.7481000000e-01  1.4241190000e+00  1.4723890000e+00  1.8476610000e+00  2.0897400000e+00
+ENERGY -1.526599502249e+02
+FORCES  3.0030000000e-04  4.1694000000e-03  9.3580000000e-04 -3.4023000000e-03  2.6634000000e-03  3.3623000000e-03  4.3591000000e-03 -3.0125000000e-03  2.0612000000e-03 -1.8267000000e-03 -8.2955000000e-03 -1.3094800000e-02  2.9577000000e-03  6.5524000000e-03  8.0047000000e-03 -2.3880000000e-03 -2.0771000000e-03 -1.2692000000e-03
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9428700000e-01  5.1447700000e-01 -6.3814300000e-01 -6.1744800000e-01 -6.6677100000e-01  3.0067600000e-01 -1.5728860000e+00  1.3002480000e+00 -1.7855850000e+00 -8.1699100000e-01  1.5507610000e+00 -2.3167140000e+00 -1.8993180000e+00  4.9920800000e-01 -2.1954740000e+00
+ENERGY -1.526573320546e+02
+FORCES -1.3311800000e-02  8.1588000000e-03 -8.4310000000e-03  8.9166000000e-03 -5.5970000000e-03  1.0900000000e-03  1.2952000000e-03  1.5852000000e-03 -2.0191000000e-03  2.6977000000e-03 -3.7840000000e-03 -1.5766000000e-03 -2.9805000000e-03 -3.8165000000e-03  6.4178000000e-03  3.3827000000e-03  3.4535000000e-03  4.5189000000e-03
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0874800000e-01 -1.6477500000e-01  6.2189800000e-01  5.2530200000e-01 -7.9999300000e-01  1.7321000000e-02 -1.0940990000e+00  9.2572800000e-01 -2.3766220000e+00 -6.2110200000e-01  1.7422990000e+00 -2.5369890000e+00 -8.6085800000e-01  6.8541100000e-01 -1.4799180000e+00
+ENERGY -1.526605116694e+02
+FORCES  5.0280000000e-04 -3.9440000000e-03 -2.4229000000e-03  3.0513000000e-03  1.0000000000e-03 -4.9983000000e-03 -2.8379000000e-03  3.7316000000e-03  1.8547000000e-03  7.5529000000e-03 -2.2931000000e-03  1.0872300000e-02 -1.1424000000e-03 -2.4146000000e-03  6.5320000000e-04 -7.1267000000e-03  3.9201000000e-03 -5.9590000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4920600000e-01 -6.5010900000e-01  6.5687600000e-01  4.4380900000e-01  8.0203500000e-01  2.7569100000e-01  1.5098050000e+00 -7.0542400000e-01 -2.0749440000e+00  7.5075400000e-01 -3.8426600000e-01 -1.5881870000e+00  1.1390010000e+00 -1.1031320000e+00 -2.8627030000e+00
+ENERGY -1.526600858549e+02
+FORCES  8.3102000000e-03 -3.3829000000e-03 -1.0651000000e-03 -1.6633000000e-03  4.1236000000e-03 -2.2290000000e-03 -1.9047000000e-03 -4.6251000000e-03 -1.9702000000e-03 -9.8701000000e-03  3.5806000000e-03  1.0207300000e-02  5.9934000000e-03 -1.1319000000e-03 -8.9459000000e-03 -8.6550000000e-04  1.4357000000e-03  4.0029000000e-03
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5712600000e-01  2.1487800000e-01 -6.6200100000e-01 -3.7155200000e-01 -8.3241400000e-01 -2.9200600000e-01 -2.4800210000e+00 -1.4921840000e+00  1.2289680000e+00 -2.4906300000e+00 -1.1316510000e+00  2.1156100000e+00 -1.8367340000e+00 -2.2000570000e+00  1.2654200000e+00
+ENERGY -1.526544993701e+02
+FORCES -1.6155000000e-03 -2.4812000000e-03 -3.7922000000e-03 -3.1684000000e-03 -1.0658000000e-03  2.8495000000e-03  4.7580000000e-03  1.6611000000e-03  8.4700000000e-04  2.8396000000e-03  1.0848000000e-03  5.7497000000e-03 -1.0266000000e-03 -2.5927000000e-03 -3.1858000000e-03 -1.7871000000e-03  3.3937000000e-03 -2.4681000000e-03
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9786800000e-01  6.4816400000e-01 -9.5370000000e-02  3.0576900000e-01 -5.8115600000e-01  6.9641600000e-01 -2.2633500000e+00  1.9444790000e+00 -5.2847900000e-01 -2.1719370000e+00  2.8222150000e+00 -1.5773100000e-01 -1.6450860000e+00  1.4085510000e+00 -3.1727000000e-02
+ENERGY -1.526593211019e+02
+FORCES  5.9070000000e-03 -2.2275000000e-03  7.5630000000e-04 -4.5125000000e-03 -2.4149000000e-03  1.8144000000e-03 -1.0642000000e-03  3.2168000000e-03 -3.3733000000e-03  4.4817000000e-03 -3.2330000000e-03  3.5082000000e-03  7.9810000000e-04 -3.4291000000e-03 -1.1907000000e-03 -5.6100000000e-03  8.0878000000e-03 -1.5149000000e-03
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7148000000e-02 -5.8282400000e-01 -7.5429000000e-01 -7.7993400000e-01  5.5391700000e-01 -3.3343000000e-02 -2.7536220000e+00 -1.7473770000e+00  1.1799390000e+00 -2.5574430000e+00 -9.4741600000e-01  1.6675950000e+00 -3.4946530000e+00 -2.1361160000e+00  1.6446840000e+00
+ENERGY -1.526550329786e+02
+FORCES -4.2016000000e-03 -2.0846000000e-03 -4.1575000000e-03  1.5189000000e-03  3.3183000000e-03  2.3343000000e-03  3.0275000000e-03 -1.6247000000e-03  1.5101000000e-03 -1.1977000000e-03  1.2452000000e-03  4.9461000000e-03 -2.4325000000e-03 -2.5213000000e-03 -2.6687000000e-03  3.2854000000e-03  1.6670000000e-03 -1.9643000000e-03
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8781100000e-01 -4.8220000000e-01 -8.0525900000e-01  7.5497700000e-01  5.4652000000e-01 -2.1807800000e-01  1.2281800000e+00 -1.5425130000e+00  1.8654070000e+00  7.9046500000e-01 -9.9189800000e-01  1.2162070000e+00  5.4826400000e-01 -1.7411260000e+00  2.5092230000e+00
+ENERGY -1.526605756182e+02
+FORCES  3.1465000000e-03 -2.6541000000e-03 -9.9300000000e-04  1.6673000000e-03  2.8710000000e-03  4.3606000000e-03 -3.6034000000e-03 -5.2535000000e-03  2.1977000000e-03 -1.0360600000e-02  8.6989000000e-03 -9.2085000000e-03  7.8166000000e-03 -4.2878000000e-03  5.9495000000e-03  1.3336000000e-03  6.2550000000e-04 -2.3064000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2238100000e-01  5.2407500000e-01 -7.3324500000e-01 -7.8473100000e-01 -4.0627800000e-01  3.6792400000e-01  8.2159000000e-02 -2.5083500000e+00  2.5558080000e+00  8.0092000000e-01 -1.8787220000e+00  2.4993870000e+00  6.6798000000e-02 -2.9325380000e+00  1.6978690000e+00
+ENERGY -1.526571746271e+02
+FORCES -5.0656000000e-03  1.5775000000e-03 -1.4574000000e-03  1.0307000000e-03 -2.3414000000e-03  3.0842000000e-03  3.9283000000e-03  1.6200000000e-03 -2.9238000000e-03  4.8866000000e-03  6.9420000000e-04 -3.5772000000e-03 -3.5090000000e-03 -3.3102000000e-03  1.2515000000e-03 -1.2711000000e-03  1.7599000000e-03  3.6227000000e-03
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3178000000e-01 -3.7775100000e-01 -4.8788700000e-01  4.1363800000e-01  5.4795800000e-01  6.6699100000e-01  1.0845880000e+00  1.4434720000e+00  2.1602220000e+00  1.8214900000e-01  1.7585010000e+00  2.1093030000e+00  1.1868770000e+00  1.1538360000e+00  3.0667970000e+00
+ENERGY -1.526586009151e+02
+FORCES  9.2465000000e-03  3.2711000000e-03  7.0005000000e-03 -2.1401000000e-03  8.0830000000e-04  1.5165000000e-03 -8.9122000000e-03  1.5466000000e-03 -4.6297000000e-03 -2.9471000000e-03 -2.6542000000e-03  3.7588000000e-03  5.5710000000e-03 -5.6731000000e-03 -3.7603000000e-03 -8.1800000000e-04  2.7013000000e-03 -3.8859000000e-03
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8365100000e-01 -6.9505000000e-02  8.2309300000e-01 -5.8096500000e-01  4.9369000000e-01 -5.7877500000e-01  1.6178290000e+00  1.6198100000e+00  1.7915380000e+00  2.1097160000e+00  2.3338540000e+00  1.3860500000e+00  1.1681440000e+00  1.1935530000e+00  1.0619360000e+00
+ENERGY -1.526606350825e+02
+FORCES -6.1616000000e-03 -7.3890000000e-04  4.5630000000e-04  4.7023000000e-03  2.7126000000e-03 -4.6372000000e-03  3.4161000000e-03 -1.8083000000e-03  3.4287000000e-03 -1.9818000000e-03 -3.5220000000e-03 -8.7817000000e-03 -2.1584000000e-03 -2.3822000000e-03  5.1840000000e-04  2.1835000000e-03  5.7390000000e-03  9.0156000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8943400000e-01 -3.7934900000e-01 -5.4498400000e-01  4.4948300000e-01  2.7387600000e-01  7.9949300000e-01 -1.6084480000e+00  1.3677360000e+00 -1.7752590000e+00 -2.1139490000e+00  2.0103440000e+00 -1.2775090000e+00 -1.2369990000e+00  7.8764200000e-01 -1.1106170000e+00
+ENERGY -1.526601782125e+02
+FORCES  1.6820000000e-03  4.0344000000e-03 -2.2646000000e-03 -3.3138000000e-03  1.9587000000e-03  3.4634000000e-03 -8.9300000000e-04 -2.0222000000e-03 -3.8365000000e-03  5.8821000000e-03 -4.4913000000e-03  1.0820700000e-02  1.8070000000e-03 -1.8231000000e-03 -7.9600000000e-04 -5.1642000000e-03  2.3435000000e-03 -7.3869000000e-03
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4854400000e-01  6.7994000000e-01  5.0271500000e-01 -4.4293500000e-01  4.7448100000e-01 -7.0349700000e-01 -1.1604390000e+00  1.2845270000e+00 -2.1778950000e+00 -1.1168250000e+00  8.7570900000e-01 -3.0423000000e+00 -2.0497500000e+00  1.6342080000e+00 -2.1223960000e+00
+ENERGY -1.526617011203e+02
+FORCES -3.9103000000e-03  7.6764000000e-03 -9.1705000000e-03 -1.8209000000e-03 -1.4024000000e-03 -1.7622000000e-03  3.6901000000e-03 -4.3648000000e-03  8.6180000000e-03 -9.2690000000e-04 -2.8164000000e-03 -7.1780000000e-04 -1.5736000000e-03  2.8433000000e-03  3.9084000000e-03  4.5415000000e-03 -1.9361000000e-03 -8.7590000000e-04
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5901700000e-01  8.1936800000e-01 -1.8485600000e-01 -3.5447300000e-01 -2.7270900000e-01 -8.4629200000e-01 -1.3141720000e+00 -1.5797540000e+00 -1.8516850000e+00 -1.7959900000e+00 -1.2163940000e+00 -2.5946880000e+00 -6.3555400000e-01 -2.1252540000e+00 -2.2493520000e+00
+ENERGY -1.526592811148e+02
+FORCES -5.4806000000e-03 -4.7282000000e-03 -7.7096000000e-03 -2.3789000000e-03 -3.4009000000e-03 -1.3576000000e-03  7.0848000000e-03  7.1881000000e-03  5.0097000000e-03  2.5530000000e-04 -2.6927000000e-03 -1.7853000000e-03  3.8334000000e-03 -8.4060000000e-04  4.0973000000e-03 -3.3140000000e-03  4.4744000000e-03  1.7455000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5051700000e-01 -3.2663100000e-01  4.9625400000e-01 -3.6627800000e-01  2.6128900000e-01 -8.4486700000e-01 -9.6522100000e-01  1.0231910000e+00 -2.4802290000e+00 -1.2127910000e+00  2.7429800000e-01 -3.0225390000e+00 -1.7207950000e+00  1.6094140000e+00 -2.5212470000e+00
+ENERGY -1.526606729894e+02
+FORCES -5.6952000000e-03  4.2378000000e-03 -8.5706000000e-03  1.7194000000e-03  1.2160000000e-03 -2.2861000000e-03  3.0882000000e-03 -6.4598000000e-03  8.3905000000e-03 -3.1774000000e-03  1.2391000000e-03 -1.6366000000e-03  7.9310000000e-04  3.5814000000e-03  4.5601000000e-03  3.2718000000e-03 -3.8145000000e-03 -4.5740000000e-04
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8613100000e-01 -6.3144600000e-01 -2.1617700000e-01 -2.2028600000e-01  4.1066900000e-01 -8.3609600000e-01 -3.7041100000e+00 -2.3746700000e-01 -6.1139700000e-01 -4.1671790000e+00  8.1443000000e-02 -1.3860550000e+00 -3.2537830000e+00  5.3361300000e-01 -2.6661600000e-01
+ENERGY -1.526541835396e+02
+FORCES  1.8113000000e-03 -2.5971000000e-03 -4.6042000000e-03 -2.3858000000e-03  2.8825000000e-03  8.3470000000e-04  6.3870000000e-04 -5.5720000000e-04  3.7938000000e-03  7.5100000000e-05  4.2350000000e-03 -2.1140000000e-04  2.4574000000e-03 -1.3754000000e-03  2.9432000000e-03 -2.5968000000e-03 -2.5879000000e-03 -2.7561000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8336200000e-01 -4.2208600000e-01 -5.2066400000e-01  6.2388700000e-01  3.3108900000e-01 -6.4604700000e-01  2.4810090000e+00  2.2901620000e+00  1.2184770000e+00  2.9672320000e+00  1.7311730000e+00  6.1238300000e-01  2.0703760000e+00  1.6798430000e+00  1.8309510000e+00
+ENERGY -1.526553789948e+02
+FORCES -1.3398000000e-03  3.6250000000e-04 -5.3085000000e-03  2.9601000000e-03  1.8701000000e-03  2.0159000000e-03 -1.7290000000e-03 -2.6392000000e-03  2.7861000000e-03 -6.2370000000e-04 -5.2565000000e-03  1.4082000000e-03 -2.4407000000e-03  2.3364000000e-03  1.2743000000e-03  3.1731000000e-03  3.3268000000e-03 -2.1760000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2248100000e-01 -6.9653600000e-01 -3.9759600000e-01  4.4096700000e-01 -4.2190600000e-01  7.3741100000e-01  1.4886740000e+00  7.2084900000e-01 -2.1589070000e+00  2.3957100000e+00  9.7395700000e-01 -1.9872850000e+00  1.1570220000e+00  4.2657000000e-01 -1.3105920000e+00
+ENERGY -1.526598900532e+02
+FORCES -6.7040000000e-04 -2.7029000000e-03 -2.2810000000e-03  4.1873000000e-03  3.6649000000e-03  2.4577000000e-03 -1.1122000000e-03  2.2439000000e-03 -5.2091000000e-03 -6.3607000000e-03 -2.0555000000e-03  1.2442600000e-02 -3.1730000000e-03 -1.4255000000e-03  1.4864000000e-03  7.1289000000e-03  2.7500000000e-04 -8.8966000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6244000000e-01  7.5927500000e-01  3.5480100000e-01 -3.4876300000e-01  3.0181000000e-01 -8.3875300000e-01  2.3110500000e+00 -1.5722930000e+00 -3.5556300000e-01  1.4181470000e+00 -1.2282720000e+00 -3.3095200000e-01  2.5109110000e+00 -1.6545860000e+00 -1.2880410000e+00
+ENERGY -1.526605294635e+02
+FORCES  2.5082000000e-03  4.8647000000e-03 -4.4160000000e-04 -2.9551000000e-03 -3.8583000000e-03 -2.7271000000e-03  3.2625000000e-03 -2.1608000000e-03  3.6940000000e-03 -1.0521600000e-02  5.1744000000e-03 -6.6800000000e-04  9.4171000000e-03 -5.2312000000e-03 -2.5424000000e-03 -1.7109000000e-03  1.2112000000e-03  2.6851000000e-03
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5445300000e-01  2.2200100000e-01 -8.6099400000e-01  6.3999400000e-01 -6.9004200000e-01 -1.7459100000e-01 -2.5452200000e+00 -2.3657640000e+00 -1.3702540000e+00 -1.9354960000e+00 -2.1367780000e+00 -2.0717060000e+00 -1.9896870000e+00 -2.7179320000e+00 -6.7484600000e-01
+ENERGY -1.526534874191e+02
+FORCES  6.9520000000e-04 -5.3850000000e-04 -4.0710000000e-03  2.3460000000e-03 -1.4732000000e-03  3.1867000000e-03 -3.4580000000e-03  2.0857000000e-03  5.2900000000e-04  4.6278000000e-03 -4.2810000000e-04  1.3650000000e-03 -2.0110000000e-03 -1.5250000000e-04  2.7679000000e-03 -2.2000000000e-03  5.0660000000e-04 -3.7776000000e-03
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8836000000e-01  4.4829700000e-01 -7.5129100000e-01 -7.4914100000e-01 -2.7981600000e-01  5.2604400000e-01 -2.2368940000e+00 -1.9645930000e+00 -1.3501530000e+00 -2.0216660000e+00 -2.4730010000e+00 -5.6821300000e-01 -3.0231050000e+00 -1.4747340000e+00 -1.1090250000e+00
+ENERGY -1.526536746026e+02
+FORCES -6.5369000000e-03 -1.3928000000e-03 -4.2482000000e-03  2.2777000000e-03  5.3660000000e-04  3.8411000000e-03  2.6085000000e-03  6.8230000000e-04 -8.7000000000e-05 -1.2706000000e-03 -2.1062000000e-03  3.5705000000e-03 -1.7238000000e-03  3.0941000000e-03 -2.6803000000e-03  4.6451000000e-03 -8.1400000000e-04 -3.9620000000e-04
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9386500000e-01 -7.7971000000e-01 -2.5373300000e-01  6.6837900000e-01  6.6722600000e-01  1.5591900000e-01  1.6081870000e+00 -2.1704030000e+00 -8.1264500000e-01  2.1154270000e+00 -2.5924810000e+00 -1.1925600000e-01  1.1378490000e+00 -2.8881330000e+00 -1.2367650000e+00
+ENERGY -1.526615009131e+02
+FORCES  9.4589000000e-03 -7.7226000000e-03 -4.0474000000e-03 -6.8305000000e-03  7.1135000000e-03  3.4358000000e-03 -1.5994000000e-03 -2.1098000000e-03  6.6800000000e-05 -7.6440000000e-04 -2.7995000000e-03  1.2292000000e-03 -2.8335000000e-03  2.0100000000e-03 -3.7580000000e-03  2.5689000000e-03  3.5083000000e-03  3.0737000000e-03
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9086000000e-02 -6.1779800000e-01  7.3008900000e-01  7.0828400000e-01  6.2036100000e-01  1.7238700000e-01  2.0409260000e+00  1.7463820000e+00  5.7464900000e-01  1.6795250000e+00  2.0321140000e+00  1.4136830000e+00  1.6977330000e+00  2.3745220000e+00 -6.0875000000e-02
+ENERGY -1.526584998928e+02
+FORCES  1.3952500000e-02  6.3526000000e-03  4.7748000000e-03  5.6000000000e-06  2.6442000000e-03 -1.3238000000e-03 -1.0468900000e-02 -1.3701000000e-03 -2.3719000000e-03 -3.2808000000e-03  2.7278000000e-03  5.0070000000e-04  2.5900000000e-04 -3.7494000000e-03 -5.5277000000e-03 -4.6730000000e-04 -6.6052000000e-03  3.9481000000e-03
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0192600000e-01 -3.7109600000e-01 -5.3462100000e-01 -5.3974900000e-01 -7.5218800000e-01  2.4313600000e-01  3.6804300000e-01 -3.4947410000e+00 -5.0010600000e-01 -3.8452300000e-01 -3.7760620000e+00  2.0215000000e-02 -1.4022000000e-02 -3.1445560000e+00 -1.3048600000e+00
+ENERGY -1.526554387714e+02
+FORCES  2.5276000000e-03 -6.4181000000e-03  1.4000000000e-05 -3.3090000000e-03  2.9644000000e-03  6.4990000000e-04 -7.8300000000e-05  3.7493000000e-03 -1.3039000000e-03 -4.3755000000e-03 -2.7767000000e-03 -1.6627000000e-03  3.2076000000e-03  2.4621000000e-03 -2.2684000000e-03  2.0276000000e-03  1.9000000000e-05  4.5711000000e-03
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1426300000e-01 -5.1410200000e-01  3.7651000000e-01  4.2904100000e-01  7.7074500000e-01 -3.7162800000e-01  3.1806100000e-01  2.4546280000e+00  2.2431840000e+00  1.1640690000e+00  2.0299030000e+00  2.3849920000e+00 -3.2686300000e-01  1.8016270000e+00  2.5150200000e+00
+ENERGY -1.526553257559e+02
+FORCES  4.5952000000e-03  3.0437000000e-03 -7.9180000000e-04 -2.9409000000e-03  2.5095000000e-03 -4.1680000000e-04 -1.0994000000e-03 -4.7823000000e-03  5.7860000000e-04 -9.6280000000e-04 -6.2461000000e-03  1.1849000000e-03 -2.6768000000e-03  1.6499000000e-03 -1.3376000000e-03  3.0847000000e-03  3.8251000000e-03  7.8270000000e-04
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0728800000e-01  3.6406700000e-01  6.4411800000e-01  3.8573400000e-01 -7.5961000000e-01  4.3638700000e-01 -8.7315900000e-01 -1.1979710000e+00 -2.3968000000e+00 -6.8910900000e-01 -6.2853400000e-01 -1.6497390000e+00 -8.2629100000e-01 -6.1870100000e-01 -3.1573790000e+00
+ENERGY -1.526619874799e+02
+FORCES -2.6250000000e-04 -3.3526000000e-03  3.0383000000e-03  3.0388000000e-03 -2.2824000000e-03 -3.1715000000e-03 -2.6567000000e-03  4.4549000000e-03 -1.5111000000e-03  3.6768000000e-03  7.1477000000e-03  7.6876000000e-03 -3.7149000000e-03 -5.0220000000e-03 -9.1321000000e-03 -8.1600000000e-05 -9.4560000000e-04  3.0889000000e-03
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0149600000e-01  6.4897800000e-01  5.4429000000e-02 -2.7204700000e-01 -5.8900200000e-01 -7.0377500000e-01 -1.6553970000e+00 -1.6220460000e+00 -1.8553620000e+00 -2.0427220000e+00 -8.4796900000e-01 -2.2640370000e+00 -8.6179500000e-01 -1.7899930000e+00 -2.3635170000e+00
+ENERGY -1.526563623321e+02
+FORCES -9.4968000000e-03 -4.5815000000e-03 -4.3686000000e-03  2.6088000000e-03 -1.1222000000e-03 -4.9660000000e-04  7.5245000000e-03  4.2477000000e-03  1.3200000000e-04 -1.2720000000e-03  9.3260000000e-04 -5.1374000000e-03  3.2389000000e-03 -3.0485000000e-03  3.6257000000e-03 -2.6034000000e-03  3.5719000000e-03  6.2450000000e-03
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5203500000e-01  6.9854200000e-01  5.5863000000e-02 -5.4381100000e-01  1.1645300000e-01  7.7906400000e-01 -1.2853780000e+00 -1.7647220000e+00 -1.6677850000e+00 -9.6329500000e-01 -9.6013200000e-01 -1.2614230000e+00 -1.6711140000e+00 -1.4777770000e+00 -2.4954930000e+00
+ENERGY -1.526601973905e+02
+FORCES  2.2740000000e-04 -2.6280000000e-04  5.2880000000e-04 -3.4641000000e-03 -2.9670000000e-03  1.1604000000e-03  2.8510000000e-03  2.5020000000e-04 -4.5775000000e-03  5.4430000000e-03  8.1285000000e-03  4.3022000000e-03 -7.0098000000e-03 -5.5560000000e-03 -4.4622000000e-03  1.9524000000e-03  4.0710000000e-04  3.0482000000e-03
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3652900000e-01 -6.3187600000e-01 -3.3435900000e-01  5.2512800000e-01  6.3435800000e-01  4.8791600000e-01 -1.7124270000e+00 -8.8424700000e-01  2.3086130000e+00 -1.0995320000e+00 -1.4056500000e+00  2.8270060000e+00 -1.2464490000e+00 -7.0869400000e-01  1.4911310000e+00
+ENERGY -1.526608259561e+02
+FORCES  5.7549000000e-03  1.7843000000e-03 -1.3191000000e-03 -2.9879000000e-03  3.0568000000e-03  2.6729000000e-03 -2.5477000000e-03 -4.3805000000e-03 -2.0301000000e-03  6.2167000000e-03  2.9440000000e-04 -6.4753000000e-03 -1.4728000000e-03  1.9054000000e-03 -1.8070000000e-03 -4.9632000000e-03 -2.6603000000e-03  8.9586000000e-03
+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6660100000e-01  2.2044700000e-01 -6.5059900000e-01  4.6339500000e-01 -5.3050500000e-01  6.4812100000e-01 -1.9081250000e+00  1.9798730000e+00  8.1416800000e-01 -1.3579200000e+00  1.2333440000e+00  5.7710300000e-01 -1.3039690000e+00  2.6063120000e+00  1.2126670000e+00
+ENERGY -1.526611748375e+02
+FORCES  2.9781000000e-03  3.0740000000e-04 -6.2160000000e-04 -2.2103000000e-03 -1.7545000000e-03  3.9859000000e-03 -1.5527000000e-03  3.2056000000e-03 -3.4684000000e-03  9.3212000000e-03 -6.2167000000e-03 -2.2075000000e-03 -6.9157000000e-03  6.0444000000e-03  3.3872000000e-03 -1.6206000000e-03 -1.5861000000e-03 -1.0757000000e-03
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8241200000e-01  2.6154800000e-01  8.3760700000e-01 -5.9618600000e-01 -7.1540800000e-01  2.2132800000e-01  1.4391620000e+00  1.4673380000e+00  1.9171910000e+00  8.8599200000e-01  2.1774080000e+00  2.2428200000e+00  1.8232500000e+00  1.0819080000e+00  2.7046880000e+00
+ENERGY -1.526600945844e+02
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+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0976800000e-01  1.9283900000e-01 -2.2664100000e-01 -2.2967800000e-01 -7.5093700000e-01 -5.4733400000e-01 -8.7681300000e-01 -2.3748090000e+00 -1.0845890000e+00 -1.3735360000e+00 -2.4724450000e+00 -2.7220700000e-01 -1.4799350000e+00 -1.9341540000e+00 -1.6831700000e+00
+ENERGY -1.526595623044e+02
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+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9770300000e-01  6.1241100000e-01 -4.2887700000e-01  5.6508700000e-01 -7.0448200000e-01  3.1719600000e-01  1.5216210000e+00  2.0543010000e+00 -1.0284420000e+00  2.0825180000e+00  2.4974980000e+00 -3.9188700000e-01  1.0254710000e+00  2.7599020000e+00 -1.4434050000e+00
+ENERGY -1.526611321441e+02
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+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0229300000e-01  3.5349300000e-01  7.9337000000e-01  6.6304700000e-01  6.4674500000e-01 -2.4149700000e-01 -4.3787500000e-01  3.6050900000e+00  5.2067700000e-01  3.4475000000e-02  3.9158540000e+00 -2.5168500000e-01 -1.0100680000e+00  4.3337270000e+00  7.6133400000e-01
+ENERGY -1.526562686849e+02
+FORCES  2.3110000000e-04  6.3184000000e-03  2.9713000000e-03  1.5156000000e-03 -3.6317000000e-03 -2.6263000000e-03 -1.4373000000e-03 -3.3138000000e-03 -2.6770000000e-04 -1.3136000000e-03  5.3129000000e-03 -2.3985000000e-03 -1.5008000000e-03 -1.7433000000e-03  3.4137000000e-03  2.5051000000e-03 -2.9423000000e-03 -1.0924000000e-03
+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3697600000e-01  6.5106800000e-01 -4.5166300000e-01 -4.3826200000e-01 -4.7920900000e-01 -7.0321900000e-01 -9.8471300000e-01  3.1451400000e+00  1.2722550000e+00 -1.3773100000e+00  2.7349230000e+00  5.0165700000e-01 -1.6592860000e+00  3.7419240000e+00  1.5963420000e+00
+ENERGY -1.526544104804e+02
+FORCES  2.4127000000e-03 -1.9520000000e-04 -3.9246000000e-03 -3.4059000000e-03 -2.8855000000e-03  1.2228000000e-03  1.2903000000e-03  2.6794000000e-03  3.1574000000e-03 -4.6802000000e-03 -8.4380000000e-04 -1.2446000000e-03  1.7214000000e-03  3.7972000000e-03  2.1290000000e-03  2.6618000000e-03 -2.5521000000e-03 -1.3400000000e-03
+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8875400000e-01 -9.4849000000e-02  5.3395000000e-01 -3.1879200000e-01  3.1812600000e-01 -8.4463000000e-01 -1.5351510000e+00  1.4837230000e+00 -2.1471720000e+00 -8.9789100000e-01  2.1380390000e+00 -2.4335290000e+00 -1.9516960000e+00  1.8744980000e+00 -1.3790460000e+00
+ENERGY -1.526594425254e+02
+FORCES -6.9172000000e-03  1.5772000000e-03 -6.2028000000e-03  2.4097000000e-03  1.3534000000e-03 -1.4167000000e-03  5.1209000000e-03 -2.0034000000e-03  7.6986000000e-03 -8.9590000000e-04  6.8626000000e-03  5.8910000000e-04 -2.7452000000e-03 -4.1398000000e-03  2.2079000000e-03  3.0277000000e-03 -3.6499000000e-03 -2.8761000000e-03
+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0116000000e-01 -6.2467900000e-01  5.2425800000e-01  5.6826900000e-01  7.6733400000e-01 -6.7090000000e-02  2.4539700000e-01  2.4992300000e+00 -3.1460530000e+00  6.0054300000e-01  3.1969720000e+00 -2.5953630000e+00 -2.4681400000e-01  2.9579050000e+00 -3.8269180000e+00
+ENERGY -1.526534258297e+02
+FORCES  4.5126000000e-03  8.6590000000e-04  6.0810000000e-04 -2.1266000000e-03  2.5025000000e-03 -2.1053000000e-03 -2.0405000000e-03 -2.8561000000e-03  1.6189000000e-03 -1.4923000000e-03  4.6824000000e-03 -1.3084000000e-03 -1.1257000000e-03 -3.4300000000e-03 -1.5438000000e-03  2.2725000000e-03 -1.7649000000e-03  2.7305000000e-03
+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0176400000e-01 -3.9538500000e-01  6.3070000000e-01  6.1144100000e-01 -7.0245400000e-01 -2.2120200000e-01  9.8230900000e-01  2.1914800000e+00  1.5909140000e+00  1.8055220000e+00  2.5209690000e+00  1.2303740000e+00  7.6185400000e-01  1.4411450000e+00  1.0389830000e+00
+ENERGY -1.526613819197e+02
+FORCES -1.2636000000e-03 -4.6535000000e-03  1.1998000000e-03  4.3168000000e-03  2.2944000000e-03 -3.0618000000e-03 -2.8677000000e-03  3.8837000000e-03  1.6557000000e-03 -1.4963000000e-03 -6.8761000000e-03 -8.2889000000e-03 -2.3143000000e-03 -1.8191000000e-03  6.8080000000e-04  3.6252000000e-03  7.1706000000e-03  7.8144000000e-03
+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4249500000e-01  1.3259000000e-01 -4.3457300000e-01 -5.2923200000e-01 -4.7345600000e-01 -6.4186000000e-01 -1.8851080000e+00 -1.4420420000e+00 -1.6473560000e+00 -2.3771810000e+00 -2.2614860000e+00 -1.6984180000e+00 -1.1861690000e+00 -1.5411390000e+00 -2.2938040000e+00
+ENERGY -1.526571911028e+02
+FORCES -5.0116000000e-03 -3.8785000000e-03 -4.3517000000e-03 -3.8001000000e-03 -1.6034000000e-03  4.9200000000e-05  8.9832000000e-03  4.0786000000e-03 -4.9320000000e-04 -1.3397000000e-03 -5.0037000000e-03 -4.4390000000e-04  2.2954000000e-03  3.8646000000e-03 -1.5582000000e-03 -1.1271000000e-03  2.5424000000e-03  6.7978000000e-03
+
+JOB 60
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0851700000e-01  2.6752600000e-01 -5.8537600000e-01  4.4363000000e-01 -4.1513200000e-01  7.3965500000e-01  4.5486700000e-01 -3.7347350000e+00  1.5113300000e-01 -1.7520200000e-01 -3.6271260000e+00  8.6363900000e-01  1.1420640000e+00 -4.2895130000e+00  5.2020400000e-01
+ENERGY -1.526542659274e+02
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+
+JOB 61
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0405900000e-01  4.6373700000e-01  2.3381500000e-01  1.6323000000e-01 -5.8526000000e-01  7.3963400000e-01 -1.0034350000e+00 -1.4002960000e+00 -1.9725520000e+00 -2.1152200000e-01 -1.6150340000e+00 -2.4654960000e+00 -6.9262500000e-01 -8.7191100000e-01 -1.2374070000e+00
+ENERGY -1.526577831791e+02
+FORCES -4.2398000000e-03 -5.7611000000e-03 -3.6204000000e-03  3.8854000000e-03 -5.7992000000e-03 -3.5049000000e-03 -1.7667000000e-03  3.1504000000e-03 -4.7514000000e-03  1.1782000000e-02  1.1475300000e-02  1.4431200000e-02 -1.5606000000e-03  2.8320000000e-04  1.8743000000e-03 -8.1003000000e-03 -3.3486000000e-03 -4.4289000000e-03
+
+JOB 62
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6475300000e-01  7.4174000000e-01 -2.1704400000e-01  5.8173300000e-01 -6.2677600000e-01  4.3008200000e-01 -2.1623100000e+00  3.4584200000e-01  1.5584170000e+00 -1.9281900000e+00 -1.1248800000e-01  2.3654810000e+00 -1.3608370000e+00  3.3512200000e-01  1.0351990000e+00
+ENERGY -1.526589156781e+02
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+
+JOB 63
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2118000000e-01  5.8246000000e-01  5.5257900000e-01  6.2094200000e-01 -6.6238100000e-01 -3.0317400000e-01  8.6862900000e-01  2.3426600000e+00  1.1359250000e+00  1.6832210000e+00  2.7912100000e+00  9.0904400000e-01  1.7781200000e-01  2.9380630000e+00  8.4524000000e-01
+ENERGY -1.526603231186e+02
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+
+JOB 64
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+ENERGY -1.526608822641e+02
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+
+JOB 65
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3727700000e-01 -1.7586100000e-01 -5.8457500000e-01  3.8880500000e-01  4.5683700000e-01  7.4589700000e-01 -2.4724330000e+00  1.5987200000e+00  1.6231710000e+00 -2.6293180000e+00  1.3262250000e+00  7.1908800000e-01 -1.7469570000e+00  2.2203430000e+00  1.5640060000e+00
+ENERGY -1.526556985841e+02
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+
+JOB 66
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+ENERGY -1.526605099174e+02
+FORCES -5.9954000000e-03  1.2654000000e-03  1.3239000000e-03  8.3650000000e-03  3.2949000000e-03  4.4100000000e-04 -1.4857000000e-03 -2.9200000000e-03 -1.9408000000e-03  2.3084000000e-03 -6.4304000000e-03 -1.4102000000e-03 -3.9269000000e-03  2.7211000000e-03 -2.0742000000e-03  7.3460000000e-04  2.0690000000e-03  3.6602000000e-03
+
+JOB 67
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+ENERGY -1.526613231141e+02
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+
+JOB 68
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+ENERGY -1.526559609432e+02
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+
+JOB 69
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+ENERGY -1.526595865668e+02
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+
+JOB 70
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+ENERGY -1.526541398752e+02
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+
+JOB 71
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+ENERGY -1.526550807374e+02
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+JOB 72
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+ENERGY -1.526600953699e+02
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+JOB 73
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+ENERGY -1.526586323084e+02
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+
+JOB 74
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2751400000e-01  5.9208600000e-01 -1.9075700000e-01 -1.7000000000e-05 -6.2228300000e-01 -7.2732100000e-01  1.0329440000e+00 -3.0300370000e+00  1.4061250000e+00  2.5639600000e-01 -3.5895070000e+00  1.4202170000e+00  7.5993900000e-01 -2.2292320000e+00  1.8537990000e+00
+ENERGY -1.526571357383e+02
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+
+JOB 75
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+ENERGY -1.526561244070e+02
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+
+JOB 76
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+ENERGY -1.526582690658e+02
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+
+JOB 77
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+ENERGY -1.526581703230e+02
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+
+JOB 78
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+ENERGY -1.526583782034e+02
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+
+JOB 79
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+ENERGY -1.526594749248e+02
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+
+JOB 80
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+ENERGY -1.526593720592e+02
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+
+JOB 81
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+
+JOB 82
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+ENERGY -1.526605432006e+02
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+
+JOB 83
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+ENERGY -1.526509070350e+02
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+
+JOB 84
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+ENERGY -1.526608834313e+02
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+
+JOB 85
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+ENERGY -1.526612129179e+02
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+
+JOB 86
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+ENERGY -1.526544755376e+02
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+
+JOB 87
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+ENERGY -1.526592366185e+02
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+
+JOB 88
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+ENERGY -1.526604275028e+02
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+
+JOB 89
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+ENERGY -1.526592388093e+02
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+
+JOB 90
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+ENERGY -1.526571816814e+02
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+JOB 91
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+ENERGY -1.526556029736e+02
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+
+JOB 92
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+JOB 93
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+JOB 94
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+JOB 95
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+ENERGY -1.526593046554e+02
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+
+JOB 96
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+ENERGY -1.526592044395e+02
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+
+JOB 97
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+
+JOB 98
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+ENERGY -1.526590313047e+02
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+
+JOB 99
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+ENERGY -1.526611040718e+02
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+
+JOB 100
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+
+JOB 101
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+ENERGY -1.526591425906e+02
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+
+JOB 102
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+ENERGY -1.526515593579e+02
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+
+JOB 103
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+ENERGY -1.526588790383e+02
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+
+JOB 104
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+
+JOB 105
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+ENERGY -1.526609123562e+02
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+
+JOB 106
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+
+JOB 107
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+ENERGY -1.526559721693e+02
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+
+JOB 108
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+ENERGY -1.526578975836e+02
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+
+JOB 109
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+
+JOB 110
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+
+JOB 111
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+
+JOB 112
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+JOB 113
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+JOB 114
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+JOB 115
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+JOB 116
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+JOB 117
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+
+JOB 118
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+
+JOB 119
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+
+JOB 120
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+
+JOB 121
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+ENERGY -1.526553316505e+02
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+
+JOB 122
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+ENERGY -1.526584200500e+02
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+
+JOB 123
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4688300000e-01 -5.6838400000e-01  6.8763700000e-01 -4.3298700000e-01 -5.9760500000e-01 -6.0960800000e-01  1.6908060000e+00  1.8488190000e+00  1.7893110000e+00  2.0980550000e+00  2.5097450000e+00  2.3492720000e+00  1.4163770000e+00  2.3311360000e+00  1.0093810000e+00
+ENERGY -1.526570843880e+02
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+
+JOB 124
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+ENERGY -1.526540855663e+02
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+JOB 125
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+ENERGY -1.526596917324e+02
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+
+JOB 126
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+JOB 127
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+JOB 128
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+JOB 129
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+JOB 130
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+JOB 131
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+JOB 132
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+JOB 133
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+JOB 134
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+JOB 135
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+JOB 136
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+JOB 137
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+JOB 138
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+JOB 139
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+JOB 140
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+JOB 141
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+JOB 142
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+JOB 143
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+JOB 144
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+JOB 145
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+JOB 146
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+JOB 147
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+JOB 148
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+JOB 149
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+JOB 150
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+JOB 151
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+JOB 152
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+JOB 153
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+JOB 154
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+JOB 155
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+JOB 156
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+JOB 157
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+JOB 158
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+JOB 159
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+JOB 162
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+JOB 163
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+JOB 164
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+JOB 165
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+JOB 166
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+JOB 167
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+JOB 168
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+JOB 169
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+JOB 170
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+JOB 171
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+JOB 172
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+JOB 173
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+JOB 174
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+JOB 175
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+JOB 176
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+JOB 177
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+JOB 178
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+JOB 179
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+JOB 180
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+JOB 181
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+JOB 182
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+JOB 183
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+
+JOB 184
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3133200000e-01 -5.3763700000e-01  3.0386100000e-01  6.3437400000e-01 -6.2945600000e-01 -3.4291000000e-01  2.2576540000e+00 -1.2972220000e+00 -5.7638500000e-01  2.3066780000e+00 -1.6318570000e+00 -1.4718450000e+00  3.0174510000e+00 -7.2095200000e-01 -4.9360800000e-01
+ENERGY -1.526592584477e+02
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+
+JOB 185
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9763200000e-01  7.0747600000e-01  5.0754100000e-01  5.9068800000e-01 -7.4343700000e-01  1.2092000000e-01  1.1983560000e+00  2.1670430000e+00  1.0356610000e+00  6.6329800000e-01  2.9269900000e+00  1.2646270000e+00  1.8561160000e+00  2.5101220000e+00  4.3077900000e-01
+ENERGY -1.526604051922e+02
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+
+JOB 186
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1509200000e-01 -7.2562300000e-01  4.6626500000e-01 -8.5344800000e-01 -3.4239800000e-01 -2.6574700000e-01  1.6805940000e+00  5.9541000000e-01 -2.1421510000e+00  2.2838340000e+00 -1.3985300000e-01 -2.2504150000e+00  1.0814980000e+00  3.1447100000e-01 -1.4504940000e+00
+ENERGY -1.526600223093e+02
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+
+JOB 187
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9045100000e-01 -5.2291900000e-01 -4.0751000000e-01 -5.9237700000e-01 -6.4455600000e-01  3.8712800000e-01 -7.4888400000e-01  2.3465200000e+00 -1.5107380000e+00 -6.0527700000e-01  2.1749600000e+00 -2.4414240000e+00 -5.2655200000e-01  1.5223460000e+00 -1.0776820000e+00
+ENERGY -1.526611003470e+02
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+
+JOB 188
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1154600000e-01  5.0701800000e-01  2.3626000000e-02 -1.8767200000e-01 -7.7793800000e-01  5.2518900000e-01  8.8280000000e-01 -2.3957860000e+00  1.4882870000e+00  3.1872100000e-01 -3.1492470000e+00  1.6624790000e+00  1.5575830000e+00 -2.7323870000e+00  8.9871000000e-01
+ENERGY -1.526596684025e+02
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+
+JOB 189
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8466600000e-01 -8.7650600000e-01 -1.4320000000e-03  7.7751700000e-01 -7.8239000000e-02 -5.5279200000e-01 -2.1259810000e+00 -1.6390290000e+00 -8.5010000000e-02 -2.8175340000e+00 -1.6685560000e+00  5.7613700000e-01 -2.3596170000e+00 -8.9776600000e-01 -6.4373600000e-01
+ENERGY -1.526600365957e+02
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+
+JOB 190
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5883200000e-01  8.0993100000e-01  2.2297300000e-01  4.7686600000e-01  2.0773800000e-01 -8.0353900000e-01  1.7021610000e+00  3.8387000000e-01 -1.9803910000e+00  2.2135600000e+00  1.0546810000e+00 -2.4328450000e+00  1.2349890000e+00 -7.3834000000e-02 -2.6793100000e+00
+ENERGY -1.526570910366e+02
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+
+JOB 191
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4832100000e-01 -7.9181600000e-01 -2.9710000000e-01 -6.4260700000e-01 -3.1266700000e-01  6.3681100000e-01 -9.2513500000e-01 -3.4158620000e+00  7.9078500000e-01 -1.0326620000e+00 -2.9158520000e+00  1.5998960000e+00 -1.7237910000e+00 -3.9392590000e+00  7.2418200000e-01
+ENERGY -1.526556841012e+02
+FORCES -1.2112000000e-03 -6.4399000000e-03  2.0250000000e-04 -6.5820000000e-04  4.9549000000e-03  1.1904000000e-03  2.2565000000e-03  2.0114000000e-03 -7.6040000000e-04 -4.4952000000e-03 -2.4250000000e-03  3.1948000000e-03  5.9410000000e-04 -4.3780000000e-04 -4.4727000000e-03  3.5139000000e-03  2.3365000000e-03  6.4540000000e-04
+
+JOB 192
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9264600000e-01 -8.1401000000e-01  1.0449600000e-01  5.6263900000e-01 -1.5569100000e-01 -7.5857100000e-01  8.6052300000e-01 -3.5931090000e+00 -9.4956300000e-01  1.6794240000e+00 -4.0755210000e+00 -1.0631990000e+00  8.3435200000e-01 -2.9869560000e+00 -1.6899180000e+00
+ENERGY -1.526545800923e+02
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+
+JOB 193
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1427000000e-01  7.2822800000e-01  9.2669000000e-02  2.8197000000e-02 -4.0213800000e-01  8.6817200000e-01  1.1422070000e+00 -3.1996690000e+00 -2.3709900000e-01  1.8061910000e+00 -2.5979130000e+00 -5.7362400000e-01  1.6418370000e+00 -3.9390520000e+00  1.0918700000e-01
+ENERGY -1.526556952476e+02
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+
+JOB 194
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0536300000e-01 -5.5601000000e-01  5.9303700000e-01 -5.1169100000e-01 -6.1386700000e-01 -5.2685100000e-01  2.4729150000e+00 -2.3836850000e+00 -8.0600500000e-01  2.7974320000e+00 -2.0055490000e+00 -1.6232770000e+00  2.4545780000e+00 -1.6492550000e+00 -1.9240300000e-01
+ENERGY -1.526548821294e+02
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+
+JOB 195
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+ENERGY -1.526561213595e+02
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+
+JOB 196
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+ENERGY -1.526561031474e+02
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+
+JOB 197
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+ENERGY -1.526545018098e+02
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+
+JOB 198
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+ENERGY -1.526545860025e+02
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+
+JOB 199
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+ENERGY -1.526515356157e+02
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+
+JOB 200
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+ENERGY -1.526610296083e+02
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+
+JOB 201
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+ENERGY -1.526589540787e+02
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+
+JOB 202
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+ENERGY -1.526610072853e+02
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+
+JOB 203
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+ENERGY -1.526620841911e+02
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+JOB 204
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+ENERGY -1.526540862580e+02
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+JOB 205
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+ENERGY -1.526522134819e+02
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+
+JOB 206
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4048000000e-01 -4.4233100000e-01  7.2564000000e-01 -5.4213200000e-01 -6.7909400000e-01 -4.0144100000e-01 -1.0658200000e+00 -2.0215040000e+00 -1.6764070000e+00 -1.7633400000e+00 -2.6397380000e+00 -1.4585000000e+00 -1.1501750000e+00 -1.8874960000e+00 -2.6204190000e+00
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+
+JOB 207
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5048600000e-01  1.0111700000e-01 -5.0837000000e-02  3.3367900000e-01  8.9512100000e-01  6.0399000000e-02 -2.3829680000e+00  1.2635560000e+00  2.2012700000e-01 -3.1538110000e+00  8.9401900000e-01  6.5079500000e-01 -1.9095330000e+00  1.7132800000e+00  9.2001200000e-01
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+
+JOB 208
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+
+JOB 209
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9188000000e-01 -5.3065000000e-01  7.4124800000e-01 -6.6839600000e-01  6.7970300000e-01 -8.6506000000e-02  2.4316490000e+00  1.3523310000e+00 -2.1532400000e-01  2.0392590000e+00  1.9766880000e+00 -8.2560300000e-01  1.7538370000e+00  6.8999900000e-01 -8.0713000000e-02
+ENERGY -1.526597199435e+02
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+
+JOB 210
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+ENERGY -1.526597438976e+02
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+
+JOB 211
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6459100000e-01  8.7608100000e-01 -1.2565000000e-01  9.4389100000e-01  1.4112700000e-01  7.3379000000e-02 -1.3607600000e+00 -8.6296300000e-01  2.3878880000e+00 -7.1113500000e-01 -3.5184900000e-01  1.9052060000e+00 -1.9234030000e+00 -1.2374110000e+00  1.7100580000e+00
+ENERGY -1.526589698501e+02
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+
+JOB 212
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+
+JOB 213
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+ENERGY -1.526559719845e+02
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+
+JOB 214
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+ENERGY -1.526603684391e+02
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+
+JOB 215
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+
+JOB 216
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+
+JOB 217
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+
+JOB 218
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+
+JOB 219
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+
+JOB 220
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+JOB 221
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+JOB 222
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+ENERGY -1.526535440918e+02
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+JOB 223
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+ENERGY -1.526527005880e+02
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+JOB 224
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+JOB 225
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+JOB 226
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+JOB 227
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+JOB 228
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+
+JOB 229
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+
+JOB 230
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+
+JOB 231
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+
+JOB 232
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+
+JOB 233
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+
+JOB 234
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+JOB 235
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+
+JOB 236
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+JOB 237
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+JOB 238
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+JOB 239
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+JOB 240
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+JOB 241
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+JOB 242
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+JOB 243
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+JOB 244
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+JOB 245
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+JOB 246
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+JOB 247
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+JOB 248
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+JOB 249
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+ENERGY -1.526603295815e+02
+FORCES -1.5160000000e-04 -7.2180000000e-03 -2.9117000000e-03 -3.0784000000e-03 -1.6665000000e-03  1.8770000000e-04  4.4102000000e-03  9.3793000000e-03  1.1960000000e-03 -5.0047000000e-03 -2.3499000000e-03 -2.0613000000e-03  3.9178000000e-03  1.6246000000e-03 -1.6901000000e-03 -9.3400000000e-05  2.3060000000e-04  5.2793000000e-03
+
+JOB 250
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2242000000e-02  1.1819000000e-01  9.4712400000e-01  7.6303400000e-01 -5.6665600000e-01 -1.1362800000e-01  2.0571460000e+00 -1.6447260000e+00 -4.6130000000e-02  2.8427790000e+00 -1.2064340000e+00 -3.7310200000e-01  1.8790400000e+00 -2.3300690000e+00 -6.9019200000e-01
+ENERGY -1.526591257107e+02
+FORCES  1.5810800000e-02 -1.2890200000e-02  2.8307000000e-03  5.8990000000e-04 -2.0750000000e-04 -2.2701000000e-03 -6.8002000000e-03  5.8838000000e-03 -2.8537000000e-03 -4.8251000000e-03  3.9349000000e-03 -1.8905000000e-03 -5.6167000000e-03 -2.1637000000e-03  1.1518000000e-03  8.4130000000e-04  5.4427000000e-03  3.0318000000e-03
+
+JOB 251
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9825000000e-02 -5.4674400000e-01 -7.8467600000e-01  3.9122400000e-01 -5.6482000000e-01  6.6644900000e-01 -1.7143590000e+00  2.0454830000e+00 -4.6564900000e-01 -2.6443810000e+00  1.8200610000e+00 -4.4384700000e-01 -1.2666630000e+00  1.2435550000e+00 -1.9599800000e-01
+ENERGY -1.526599479956e+02
+FORCES -1.0822000000e-03  1.1432000000e-03 -1.7760000000e-04 -7.5930000000e-04  2.4230000000e-03  5.0400000000e-03 -1.3639000000e-03  1.4984000000e-03 -4.5894000000e-03  6.5506000000e-03 -9.5519000000e-03  4.2145000000e-03  3.5473000000e-03 -9.3440000000e-04  3.5900000000e-05 -6.8924000000e-03  5.4218000000e-03 -4.5235000000e-03
+
+JOB 252
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4460000000e-02  8.6457800000e-01 -4.0200000000e-01  8.4112800000e-01 -4.2537700000e-01 -1.6670200000e-01 -1.8020130000e+00  7.5543300000e-01  2.0415870000e+00 -2.2570190000e+00 -4.1565000000e-02  2.3136080000e+00 -1.3042560000e+00  4.9497600000e-01  1.2665820000e+00
+ENERGY -1.526599035868e+02
+FORCES  3.4104000000e-03  4.7660000000e-04  1.8197000000e-03 -1.3325000000e-03 -4.6510000000e-03  3.4641000000e-03 -3.3608000000e-03  2.8258000000e-03 -9.6950000000e-04  5.9849000000e-03 -7.0681000000e-03 -6.4945000000e-03  1.4711000000e-03  2.1642000000e-03 -5.8800000000e-04 -6.1731000000e-03  6.2524000000e-03  2.7682000000e-03
+
+JOB 253
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5383600000e-01 -2.6615600000e-01  6.4644500000e-01  6.4430500000e-01 -7.0787000000e-01  4.8730000000e-03  2.2193690000e+00 -1.9045690000e+00 -2.7649100000e-01  2.5985090000e+00 -2.5073900000e+00  3.6311100000e-01  2.7925990000e+00 -1.1383450000e+00 -2.5328100000e-01
+ENERGY -1.526609382844e+02
+FORCES  3.6202000000e-03 -8.5088000000e-03  8.7550000000e-04  2.4164000000e-03  4.3330000000e-04 -1.8039000000e-03 -4.9594000000e-03  9.3308000000e-03  1.1662000000e-03  5.3805000000e-03 -6.2020000000e-04  1.8490000000e-03 -1.4379000000e-03  3.2864000000e-03 -3.0500000000e-03 -5.0197000000e-03 -3.9215000000e-03  9.6330000000e-04
+
+JOB 254
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6799700000e-01  4.3774700000e-01  5.2762600000e-01  5.0105400000e-01 -5.1873900000e-01  6.2935400000e-01 -2.6618790000e+00 -2.3684840000e+00  6.9110800000e-01 -1.7608200000e+00 -2.6751500000e+00  5.8971200000e-01 -2.7798560000e+00 -2.2787230000e+00  1.6367600000e+00
+ENERGY -1.526538470396e+02
+FORCES -2.0503000000e-03  5.8220000000e-04  4.3753000000e-03  3.9214000000e-03 -1.2605000000e-03 -1.6128000000e-03 -2.5087000000e-03  1.0484000000e-03 -2.6215000000e-03  3.6000000000e-03 -1.3356000000e-03  1.9713000000e-03 -3.9133000000e-03  5.4270000000e-04  1.8036000000e-03  9.5080000000e-04  4.2290000000e-04 -3.9159000000e-03
+
+JOB 255
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2291500000e-01  4.1512900000e-01 -2.5828400000e-01 -2.4344800000e-01 -5.3902600000e-01 -7.5260600000e-01 -1.7473870000e+00  2.1646700000e+00 -4.1155600000e-01 -1.8894480000e+00  2.5299110000e+00 -1.2848540000e+00 -1.0995410000e+00  1.4724670000e+00 -5.4339900000e-01
+ENERGY -1.526574576472e+02
+FORCES  2.9038000000e-03 -2.5319000000e-03 -6.2890000000e-04 -6.8343000000e-03 -5.6830000000e-04 -1.3130000000e-04  1.4680000000e-04  6.2908000000e-03  3.1182000000e-03  6.2698000000e-03 -8.0549000000e-03  1.1289000000e-03  2.1093000000e-03 -3.1627000000e-03  2.7003000000e-03 -4.5954000000e-03  8.0269000000e-03 -6.1873000000e-03
+
+JOB 256
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9342200000e-01 -1.9589200000e-01 -6.3009800000e-01 -5.5422900000e-01  6.4130700000e-01 -4.4473400000e-01  1.1445020000e+00 -6.8783300000e-01 -2.3832770000e+00  2.0095690000e+00 -1.0955960000e+00 -2.4235340000e+00  1.1891340000e+00  3.2307000000e-02 -3.0122740000e+00
+ENERGY -1.526576333995e+02
+FORCES  4.1648000000e-03 -2.6265000000e-03 -1.5389800000e-02  4.5500000000e-05  2.1024000000e-03  8.4148000000e-03  1.2410000000e-03 -9.0270000000e-04  1.4841000000e-03 -3.3210000000e-04  1.7384000000e-03 -7.6100000000e-05 -4.7642000000e-03  3.2260000000e-03  1.5627000000e-03 -3.5520000000e-04 -3.5377000000e-03  4.0043000000e-03
+
+JOB 257
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7019000000e-01 -1.8500100000e-01 -8.1297500000e-01  2.5878100000e-01 -7.0559100000e-01  5.9279500000e-01 -1.9578410000e+00  1.9897310000e+00  2.4649200000e-01 -1.2974780000e+00  2.1820210000e+00  9.1220700000e-01 -1.6256290000e+00  1.2131310000e+00 -2.0379600000e-01
+ENERGY -1.526590513293e+02
+FORCES  5.7210000000e-04 -1.4771000000e-03  7.4550000000e-04 -3.1352000000e-03  7.5090000000e-04  4.0632000000e-03 -1.7120000000e-04  3.6336000000e-03 -3.1632000000e-03  1.0901400000e-02 -8.6348000000e-03  1.1623000000e-03 -3.0962000000e-03  1.8185000000e-03 -1.1250000000e-04 -5.0709000000e-03  3.9089000000e-03 -2.6953000000e-03
+
+JOB 258
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9652700000e-01  6.2913500000e-01  1.8780600000e-01 -4.2159200000e-01 -6.7197900000e-01 -5.3566500000e-01 -1.8410180000e+00  1.7633850000e+00  7.7456700000e-01 -2.4599160000e+00  1.9836960000e+00  7.8391000000e-02 -1.4848740000e+00  2.6065300000e+00  1.0547450000e+00
+ENERGY -1.526592268057e+02
+FORCES -1.2961800000e-02  1.0072300000e-02  5.3137000000e-03  6.4597000000e-03 -6.4545000000e-03 -5.2179000000e-03 -5.0720000000e-04  3.2343000000e-03  1.3873000000e-03  5.2969000000e-03 -7.0200000000e-04 -2.2671000000e-03  4.5036000000e-03 -1.8951000000e-03  3.1402000000e-03 -2.7912000000e-03 -4.2550000000e-03 -2.3562000000e-03
+
+JOB 259
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9577600000e-01 -6.6297500000e-01  6.2387000000e-01 -8.9239300000e-01  2.0847500000e-01  2.7641300000e-01  8.9826200000e-01 -3.1084160000e+00 -5.8089300000e-01  1.5011600000e+00 -2.6585540000e+00 -1.1728140000e+00  4.6240000000e-01 -3.7590750000e+00 -1.1312560000e+00
+ENERGY -1.526568009545e+02
+FORCES -2.4679000000e-03 -4.7315000000e-03  3.4477000000e-03 -7.2020000000e-04  5.7344000000e-03 -1.3101000000e-03  3.1995000000e-03 -6.2140000000e-04 -1.0361000000e-03 -1.6570000000e-04  1.9270000000e-04 -6.1291000000e-03 -1.7763000000e-03 -2.9201000000e-03  2.9597000000e-03  1.9306000000e-03  2.3460000000e-03  2.0679000000e-03
+
+JOB 260
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7997100000e-01  4.5499500000e-01  7.5155400000e-01 -5.2416400000e-01  6.6649600000e-01 -4.4414700000e-01  1.7557550000e+00 -4.2752500000e-01 -1.9379510000e+00  1.1310830000e+00 -1.0427150000e+00 -2.3220840000e+00  1.4050300000e+00 -2.4190000000e-01 -1.0668780000e+00
+ENERGY -1.526573357113e+02
+FORCES  2.1835000000e-03  2.6533000000e-03 -6.7425000000e-03  2.9870000000e-04 -2.3650000000e-03 -6.4809000000e-03  3.1065000000e-03 -3.7179000000e-03  2.8219000000e-03 -1.4743200000e-02 -6.9700000000e-04  1.3959300000e-02  1.5217000000e-03  1.9968000000e-03 -6.1600000000e-04  7.6328000000e-03  2.1297000000e-03 -2.9419000000e-03
+
+JOB 261
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8718000000e-01  8.3610800000e-01  4.2675400000e-01  6.9068700000e-01 -5.8667900000e-01  3.0820600000e-01 -3.9590840000e+00  8.1818400000e-01 -8.0644900000e-01 -3.6650370000e+00  1.0509090000e+00  7.4237000000e-02 -4.6271710000e+00  1.4705800000e-01 -6.6687500000e-01
+ENERGY -1.526534692786e+02
+FORCES  4.0456000000e-03  1.0868000000e-03  2.3183000000e-03 -1.2038000000e-03 -3.5336000000e-03 -1.3711000000e-03 -3.0086000000e-03  2.3943000000e-03 -1.2680000000e-03 -2.3220000000e-04 -2.6914000000e-03  4.2387000000e-03 -1.9373000000e-03 -7.8500000000e-05 -3.2941000000e-03  2.3363000000e-03  2.8223000000e-03 -6.2370000000e-04
+
+JOB 262
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4628900000e-01 -4.8484200000e-01 -5.1329400000e-01 -6.0184700000e-01  3.6078100000e-01 -6.5103700000e-01  2.9856200000e-01  1.3819520000e+00  2.3048820000e+00  3.6818400000e-01  8.9374500000e-01  1.4844930000e+00  1.0819020000e+00  1.9317120000e+00  2.3242110000e+00
+ENERGY -1.526603458467e+02
+FORCES -7.6840000000e-04  3.1808000000e-03  1.4679000000e-03 -3.4150000000e-03  3.2683000000e-03  1.9059000000e-03  3.9888000000e-03 -2.8431000000e-03  1.9528000000e-03  5.5700000000e-05 -6.4442000000e-03 -1.2053400000e-02  2.1050000000e-03  5.2045000000e-03  8.2583000000e-03 -1.9660000000e-03 -2.3664000000e-03 -1.5315000000e-03
+
+JOB 263
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1896800000e-01  6.1984700000e-01  7.1963100000e-01  3.8002000000e-01  4.3956900000e-01 -7.6065500000e-01 -1.8922190000e+00 -1.8889320000e+00 -2.7457900000e-01 -1.1393130000e+00 -1.3246750000e+00 -4.5058800000e-01 -2.5323930000e+00 -1.3119220000e+00  1.4191700000e-01
+ENERGY -1.526576020361e+02
+FORCES -4.4922000000e-03 -2.3340000000e-03  2.6067000000e-03  1.0700000000e-04 -1.5114000000e-03 -4.6374000000e-03 -2.9562000000e-03 -2.8565000000e-03  3.9381000000e-03  9.2914000000e-03  1.3480500000e-02  3.8198000000e-03 -2.4810000000e-03 -4.7272000000e-03 -5.2074000000e-03  5.3090000000e-04 -2.0514000000e-03 -5.1980000000e-04
+
+JOB 264
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5800000000e-01 -6.0776200000e-01  4.8527600000e-01  5.6774600000e-01  3.5172100000e-01 -6.8570300000e-01 -2.9106070000e+00 -1.2122560000e+00  1.2372180000e+00 -2.1458030000e+00 -1.7629740000e+00  1.4045970000e+00 -2.7144900000e+00 -7.7454000000e-01  4.0886100000e-01
+ENERGY -1.526564782306e+02
+FORCES  6.1387000000e-03  1.7220000000e-04 -6.0190000000e-04 -3.1176000000e-03  1.8782000000e-03 -2.2291000000e-03 -2.4936000000e-03 -1.6113000000e-03  3.1046000000e-03  6.1679000000e-03  1.5333000000e-03 -3.9506000000e-03 -2.7689000000e-03  7.7090000000e-04  5.2000000000e-04 -3.9263000000e-03 -2.7432000000e-03  3.1569000000e-03
+
+JOB 265
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4878000000e-02  5.1520900000e-01  8.0410300000e-01 -8.0595300000e-01 -5.0592300000e-01  1.0350500000e-01  5.7526900000e-01  1.9787790000e+00  1.7669660000e+00  1.1209070000e+00  2.4495650000e+00  1.1369890000e+00  2.1138500000e-01  2.6635300000e+00  2.3281580000e+00
+ENERGY -1.526606393667e+02
+FORCES -2.5440000000e-04  7.3685000000e-03  9.4462000000e-03 -3.6700000000e-05 -6.4114000000e-03 -7.0290000000e-03  2.0943000000e-03  2.3667000000e-03  9.2500000000e-04 -1.1183000000e-03  4.3830000000e-04 -4.5029000000e-03 -3.1481000000e-03 -1.7328000000e-03  4.3019000000e-03  2.4632000000e-03 -2.0293000000e-03 -3.1412000000e-03
+
+JOB 266
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+ENERGY -1.526590273081e+02
+FORCES -7.2450000000e-03  1.6113000000e-03  1.3269000000e-02  1.5535000000e-03 -2.1627000000e-03 -1.3510000000e-03  4.9092000000e-03 -1.8391000000e-03 -6.6249000000e-03 -1.7078000000e-03 -3.5502000000e-03 -1.9666000000e-03  3.7247000000e-03  3.7822000000e-03  1.8867000000e-03 -1.2346000000e-03  2.1584000000e-03 -5.2133000000e-03
+
+JOB 267
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7333600000e-01 -8.0425600000e-01  2.1297300000e-01 -5.6876500000e-01  4.5612400000e-01 -6.2023300000e-01  1.3549970000e+00  1.8756560000e+00  1.3489270000e+00  6.7958300000e-01  1.2941240000e+00  9.9983100000e-01  1.8125190000e+00  1.3468810000e+00  2.0026110000e+00
+ENERGY -1.526583843904e+02
+FORCES  9.6190000000e-04  2.6498000000e-03  1.8856000000e-03  2.3612000000e-03  4.2075000000e-03 -1.8497000000e-03  2.9013000000e-03 -2.0723000000e-03  5.1140000000e-03 -6.2147000000e-03 -1.4276700000e-02 -5.9194000000e-03  1.3544000000e-03  8.2653000000e-03  2.1175000000e-03 -1.3641000000e-03  1.2263000000e-03 -1.3481000000e-03
+
+JOB 268
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+ENERGY -1.526594785325e+02
+FORCES  2.8084000000e-03 -6.1633000000e-03 -5.3427000000e-03 -3.0263000000e-03 -1.7000000000e-03  1.5000000000e-06 -1.8228000000e-03  8.8753000000e-03  3.9031000000e-03 -6.3581000000e-03 -2.6786000000e-03  6.5000000000e-04  4.4274000000e-03 -2.8530000000e-04  5.1667000000e-03  3.9715000000e-03  1.9519000000e-03 -4.3786000000e-03
+
+JOB 269
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5900400000e-01 -4.2191800000e-01 -1.8165000000e-02 -6.2418600000e-01 -7.2512900000e-01 -2.8478000000e-02  2.5771590000e+00 -1.3610700000e+00  6.4552000000e-02  3.1036660000e+00 -1.7340270000e+00  7.7160600000e-01  3.2129810000e+00 -1.1337340000e+00 -6.1388800000e-01
+ENERGY -1.526617709991e+02
+FORCES  6.9215000000e-03 -7.0574000000e-03  5.4920000000e-04 -8.2460000000e-03  5.0500000000e-03 -1.8658000000e-03  1.7599000000e-03  2.1015000000e-03  2.6130000000e-04  3.3869000000e-03 -1.0500000000e-05  1.5297000000e-03 -1.1131000000e-03  1.2499000000e-03 -4.2943000000e-03 -2.7093000000e-03 -1.3335000000e-03  3.8200000000e-03
+
+JOB 270
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+ENERGY -1.526548049083e+02
+FORCES  8.4436000000e-03  2.1225000000e-03 -1.6077600000e-02  1.7947000000e-03 -5.4880000000e-04 -4.8791000000e-03 -4.1840000000e-04  4.3278000000e-03  9.8297000000e-03 -5.6609000000e-03 -1.2400000000e-04  4.3090000000e-03  2.9813000000e-03 -8.7570000000e-04  4.8241000000e-03 -7.1403000000e-03 -4.9018000000e-03  1.9939000000e-03
+
+JOB 271
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+JOB 272
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+JOB 273
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+JOB 274
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+JOB 275
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+JOB 276
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+JOB 277
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+JOB 278
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+JOB 279
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+JOB 280
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+JOB 281
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+JOB 282
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+JOB 283
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+JOB 284
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+JOB 285
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+JOB 286
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+JOB 287
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+JOB 291
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+
+JOB 294
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+
+JOB 295
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+
+JOB 296
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+
+JOB 297
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+
+JOB 298
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+
+JOB 299
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+
+JOB 300
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+
+JOB 301
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+JOB 302
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+JOB 303
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+JOB 304
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+JOB 305
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+JOB 306
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+JOB 307
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+JOB 308
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+JOB 309
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+JOB 310
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+JOB 311
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+JOB 312
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+JOB 313
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+JOB 314
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+JOB 315
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+JOB 317
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+JOB 318
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+JOB 320
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+JOB 321
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+JOB 322
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+JOB 323
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+JOB 324
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+JOB 325
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+JOB 326
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+JOB 331
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+
+JOB 338
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+JOB 339
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+JOB 340
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+JOB 341
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+JOB 342
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+JOB 343
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+JOB 344
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+JOB 345
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+JOB 346
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+JOB 347
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+JOB 348
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+JOB 349
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+JOB 350
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+JOB 351
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+JOB 352
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+JOB 353
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+JOB 354
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+JOB 355
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+JOB 356
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+JOB 357
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+JOB 358
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+JOB 359
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+
+JOB 360
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+
+JOB 361
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+
+JOB 362
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+JOB 363
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+JOB 364
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+
+JOB 365
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+JOB 366
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+JOB 367
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+JOB 368
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+JOB 369
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+JOB 370
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+JOB 371
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+JOB 372
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+JOB 373
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+JOB 374
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+JOB 375
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+JOB 376
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+JOB 377
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+JOB 378
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+JOB 379
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+JOB 380
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+JOB 381
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+JOB 382
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+JOB 383
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+JOB 384
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+JOB 385
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+JOB 386
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+JOB 387
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+JOB 388
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+JOB 389
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+JOB 390
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+JOB 391
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+JOB 392
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+JOB 393
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+JOB 394
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+JOB 395
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+JOB 396
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+JOB 397
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+JOB 398
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+JOB 399
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+JOB 400
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+JOB 401
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+
+JOB 404
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8986700000e-01  8.0738200000e-01  1.5619500000e-01 -8.9858300000e-01  2.1176700000e-01  2.5285300000e-01  1.8539810000e+00  1.8883640000e+00  7.4496600000e-01  2.0166810000e+00  1.5275000000e+00  1.6164810000e+00  2.1058550000e+00  2.8091240000e+00  8.1561700000e-01
+ENERGY -1.526607219009e+02
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+
+JOB 405
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5572900000e-01 -7.2375400000e-01 -4.2979400000e-01 -7.7554900000e-01  1.5007300000e-01 -5.4058600000e-01 -1.6120700000e-01  2.6994570000e+00  5.8082200000e-01  7.4345000000e-02  1.7717070000e+00  5.7579200000e-01 -4.3030300000e-01  2.8738500000e+00  1.4827120000e+00
+ENERGY -1.526612092010e+02
+FORCES -1.1250000000e-04  1.1880000000e-03 -3.2527000000e-03 -3.7120000000e-03  2.7079000000e-03  9.4730000000e-04  4.8852000000e-03 -1.0296000000e-03  3.1741000000e-03  2.7322000000e-03 -9.7729000000e-03  1.2337000000e-03 -4.5657000000e-03  8.5032000000e-03  7.5810000000e-04  7.7280000000e-04 -1.5966000000e-03 -2.8603000000e-03
+
+JOB 406
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7803600000e-01  6.1563600000e-01 -4.5066400000e-01  3.5464000000e-01 -5.5095700000e-01 -6.9778800000e-01  1.2717830000e+00 -2.7997550000e+00 -3.7118800000e-01  7.2696100000e-01 -2.7848630000e+00 -1.1580680000e+00  1.7289860000e+00 -3.6397290000e+00 -4.1171100000e-01
+ENERGY -1.526530930873e+02
+FORCES  1.2484000000e-03 -1.0418000000e-03 -3.3785000000e-03  2.4106000000e-03 -3.2100000000e-03  1.7534000000e-03 -4.1070000000e-03  2.5894000000e-03 -9.5900000000e-05  5.4200000000e-05 -5.4578000000e-03 -1.9370000000e-03  2.7882000000e-03  3.5916000000e-03  3.2906000000e-03 -2.3944000000e-03  3.5286000000e-03  3.6750000000e-04
+
+JOB 407
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8525100000e-01 -4.9632700000e-01 -6.5910700000e-01  6.4754400000e-01  1.9717300000e-01  6.7678700000e-01 -2.3646780000e+00  1.0534990000e+00  1.5202630000e+00 -1.7649970000e+00  7.8541100000e-01  8.2402700000e-01 -1.8126700000e+00  1.1220880000e+00  2.2992460000e+00
+ENERGY -1.526593112473e+02
+FORCES  4.1729000000e-03 -2.1707000000e-03 -1.2031000000e-03 -8.5740000000e-04  2.2705000000e-03  3.6847000000e-03 -3.8017000000e-03 -6.9280000000e-04 -2.6944000000e-03  7.1579000000e-03 -3.2834000000e-03 -3.0697000000e-03 -5.4797000000e-03  3.8963000000e-03  5.5884000000e-03 -1.1920000000e-03 -1.9900000000e-05 -2.3059000000e-03
+
+JOB 408
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1312000000e-01  2.6884800000e-01 -5.7914800000e-01  7.8419800000e-01  4.7742000000e-02 -5.4679600000e-01 -2.2525790000e+00  1.1698350000e+00 -1.0579960000e+00 -2.5290840000e+00  1.0898850000e+00 -1.9708960000e+00 -3.0702250000e+00  1.1960570000e+00 -5.6100600000e-01
+ENERGY -1.526599512163e+02
+FORCES -8.7164000000e-03  5.9326000000e-03 -5.5188000000e-03  8.7978000000e-03 -5.1371000000e-03  1.3081000000e-03 -3.5540000000e-03  3.3330000000e-04  3.8800000000e-04 -1.5051000000e-03 -1.3730000000e-03  3.1367000000e-03  2.0167000000e-03 -1.7150000000e-04  4.8150000000e-03  2.9610000000e-03  4.1580000000e-04 -4.1290000000e-03
+
+JOB 409
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9353900000e-01 -8.1839600000e-01 -4.0036900000e-01 -8.3924100000e-01 -2.1853200000e-01  4.0515400000e-01 -8.4659000000e-02  1.1739480000e+00 -3.0843690000e+00 -4.3896600000e-01  4.5045500000e-01 -2.5674000000e+00 -8.5662000000e-01  1.6308730000e+00 -3.4183260000e+00
+ENERGY -1.526542563775e+02
+FORCES -2.8670000000e-04 -3.9763000000e-03  3.0022000000e-03 -2.7677000000e-03  4.4803000000e-03  5.8800000000e-05  3.5083000000e-03  1.2500000000e-03 -2.9324000000e-03 -4.2638000000e-03 -5.6160000000e-04  4.1347000000e-03  9.3520000000e-04  6.4060000000e-04 -5.5704000000e-03  2.8747000000e-03 -1.8330000000e-03  1.3070000000e-03
+
+JOB 410
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0722600000e-01  6.9328800000e-01  6.5121900000e-01  8.7571100000e-01 -3.7349500000e-01 -9.9314000000e-02 -2.1822100000e+00 -1.5831920000e+00  8.3724000000e-01 -2.4435490000e+00 -1.3232590000e+00 -4.6144000000e-02 -1.3638940000e+00 -1.1119560000e+00  9.9385100000e-01
+ENERGY -1.526588734978e+02
+FORCES  2.7199000000e-03  2.7600000000e-04 -1.7900000000e-05 -1.5889000000e-03 -5.6522000000e-03 -2.1155000000e-03 -4.6101000000e-03  2.1287000000e-03  1.2052000000e-03  9.5245000000e-03  7.6999000000e-03 -7.6996000000e-03 -1.8164000000e-03 -1.9644000000e-03  2.3954000000e-03 -4.2290000000e-03 -2.4879000000e-03  6.2324000000e-03
+
+JOB 411
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8952600000e-01  2.4430000000e-02 -9.3793100000e-01 -1.7812500000e-01  9.1124800000e-01  2.3265900000e-01  5.2137900000e-01  4.6070000000e-02 -2.6638110000e+00  1.7722100000e-01  5.2168400000e-01 -3.4198390000e+00  1.2055460000e+00 -5.1711600000e-01 -3.0257080000e+00
+ENERGY -1.526602770568e+02
+FORCES  2.1756000000e-03  2.8722000000e-03 -1.3718700000e-02 -3.3430000000e-04 -1.1504000000e-03  8.4150000000e-03  1.8550000000e-04 -2.2115000000e-03 -1.3734000000e-03 -1.2297000000e-03 -1.2540000000e-04  3.7133000000e-03  3.0691000000e-03 -2.7746000000e-03  2.4444000000e-03 -3.8662000000e-03  3.3897000000e-03  5.1950000000e-04
+
+JOB 412
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8080400000e-01 -7.9974700000e-01  4.4473200000e-01  1.3592400000e-01 -1.8211200000e-01 -9.2983400000e-01 -1.3424480000e+00  2.7345440000e+00  1.9935800000e-01 -1.2291710000e+00  3.6819250000e+00  1.2274700000e-01 -5.7448000000e-01  2.3650050000e+00 -2.3641500000e-01
+ENERGY -1.526555669263e+02
+FORCES  5.9000000000e-04 -5.8546000000e-03  2.6690000000e-04 -1.1728000000e-03  2.9482000000e-03 -2.5219000000e-03 -2.7780000000e-04  2.6989000000e-03  4.1673000000e-03  4.7438000000e-03 -1.0727000000e-03 -1.0753000000e-03 -1.2450000000e-04 -4.1465000000e-03  3.4800000000e-04 -3.7588000000e-03  5.4267000000e-03 -1.1850000000e-03
+
+JOB 413
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3003000000e-01  3.5950000000e-01  8.7754400000e-01  2.7344400000e-01  7.4981600000e-01 -5.2842800000e-01  3.7064420000e+00  4.4244000000e-02  7.5390000000e-02  3.2642870000e+00 -8.1416000000e-02 -7.6421800000e-01  4.0476800000e+00  9.3766600000e-01  3.5571000000e-02
+ENERGY -1.526537456919e+02
+FORCES  1.3802000000e-03  4.4263000000e-03  3.1167000000e-03 -4.5650000000e-04 -1.1514000000e-03 -3.8429000000e-03 -6.3010000000e-04 -3.2216000000e-03  1.2334000000e-03 -8.8670000000e-04  1.6856000000e-03 -3.7522000000e-03  2.6706000000e-03  1.6822000000e-03  2.9521000000e-03 -2.0774000000e-03 -3.4212000000e-03  2.9290000000e-04
+
+JOB 414
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0024700000e-01  6.0098000000e-02 -3.1965000000e-01  4.7146300000e-01  6.7991200000e-01 -4.8132600000e-01 -1.5509100000e-01 -6.4229200000e-01  2.7295020000e+00  7.2263000000e-02 -4.5782400000e-01  1.8181770000e+00  2.6753100000e-01  5.6726000000e-02  3.2284970000e+00
+ENERGY -1.526611467924e+02
+FORCES -2.6045000000e-03  2.0293000000e-03  2.3770000000e-04  5.1201000000e-03  5.0590000000e-04  6.0920000000e-04 -3.1475000000e-03 -2.7715000000e-03  1.9705000000e-03  2.7465000000e-03  4.7027000000e-03 -1.0326500000e-02 -1.1190000000e-03 -2.7907000000e-03  9.5450000000e-03 -9.9560000000e-04 -1.6757000000e-03 -2.0358000000e-03
+
+JOB 415
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3375300000e-01 -4.6501000000e-01 -8.2589800000e-01 -3.3901500000e-01  8.5681200000e-01 -2.5917800000e-01 -2.9184700000e-01  8.5375300000e-01  2.7472160000e+00  6.3190000000e-03  4.7912000000e-01  1.9183740000e+00 -9.4288100000e-01  1.5082970000e+00  2.4943170000e+00
+ENERGY -1.526583194371e+02
+FORCES -1.8380000000e-04 -4.4720000000e-04 -3.4015000000e-03 -1.4556000000e-03  3.4030000000e-03  2.7454000000e-03  1.5115000000e-03 -4.0659000000e-03  3.3055000000e-03 -5.5960000000e-04 -3.0952000000e-03 -8.3638000000e-03 -1.7300000000e-03  5.8359000000e-03  5.9896000000e-03  2.4176000000e-03 -1.6306000000e-03 -2.7520000000e-04
+
+JOB 416
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1505400000e-01 -4.5454000000e-02  4.9985300000e-01  2.5401300000e-01 -2.2736700000e-01 -8.9443500000e-01 -1.2603400000e+00  2.2968820000e+00 -3.0895600000e-01 -8.3568200000e-01  1.4392190000e+00 -3.2659200000e-01 -5.4132100000e-01  2.9183890000e+00 -1.9505400000e-01
+ENERGY -1.526568601588e+02
+FORCES -3.0640000000e-04  7.6318000000e-03  1.0727000000e-03 -3.5684000000e-03 -2.0880000000e-04 -3.9440000000e-03 -2.1478000000e-03  4.6886000000e-03  5.2545000000e-03  1.1084400000e-02 -1.5496100000e-02  4.3817000000e-03 -3.8663000000e-03  5.6465000000e-03 -6.6139000000e-03 -1.1955000000e-03 -2.2619000000e-03 -1.5100000000e-04
+
+JOB 417
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1649200000e-01 -1.5139500000e-01 -2.3098300000e-01 -3.7291000000e-02  5.5946800000e-01  7.7578200000e-01 -3.2986690000e+00 -1.5665460000e+00  9.9163400000e-01 -3.2689510000e+00 -1.5911010000e+00  1.9480580000e+00 -3.7656530000e+00 -2.3650180000e+00  7.4546200000e-01
+ENERGY -1.526568816285e+02
+FORCES -5.5760000000e-03  6.1480000000e-04  2.3430000000e-03  5.7324000000e-03  2.1451000000e-03 -2.9440000000e-04  6.5610000000e-04 -1.8961000000e-03 -2.6449000000e-03 -2.2692000000e-03 -4.6074000000e-03  3.2885000000e-03 -2.8750000000e-04  3.6190000000e-04 -3.9927000000e-03  1.7441000000e-03  3.3817000000e-03  1.3005000000e-03
+
+JOB 418
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+ENERGY -1.526605284335e+02
+FORCES -8.9190000000e-04 -6.0730000000e-03 -1.0778600000e-02  1.0459000000e-03  3.8548000000e-03  9.0403000000e-03 -4.0780000000e-04  2.4532000000e-03 -8.4680000000e-04  3.5659000000e-03  1.5159000000e-03 -2.4405000000e-03 -4.8525000000e-03  1.2796000000e-03  1.1876000000e-03  1.5403000000e-03 -3.0305000000e-03  3.8380000000e-03
+
+JOB 419
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9117200000e-01  8.7317200000e-01 -2.8066000000e-02 -1.9278400000e-01 -3.2113400000e-01  8.8087400000e-01 -5.8875300000e-01  2.5447530000e+00 -1.0870880000e+00  4.8841000000e-02  3.1724110000e+00 -7.4686400000e-01 -3.1354700000e-01  2.3889150000e+00 -1.9905300000e+00
+ENERGY -1.526610045668e+02
+FORCES -3.7626000000e-03  8.0207000000e-03 -1.7138000000e-03  2.8213000000e-03 -9.0353000000e-03  5.5778000000e-03  2.5470000000e-04  2.9957000000e-03 -2.8214000000e-03  4.9190000000e-03 -5.9070000000e-04 -4.2407000000e-03 -3.0248000000e-03 -3.6449000000e-03 -1.0919000000e-03 -1.2075000000e-03  2.2545000000e-03  4.2900000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3336200000e-01  6.1908900000e-01 -6.9174000000e-01  9.5494600000e-01 -5.3538000000e-02 -3.7987000000e-02  2.6545100000e+00 -1.5560900000e-01  4.5700000000e-04  2.8340690000e+00 -1.0836290000e+00 -1.5043900000e-01  3.2266360000e+00  3.0270500000e-01 -6.1505300000e-01
+ENERGY -1.526589508843e+02
+FORCES  1.7820500000e-02  1.6861000000e-03 -1.2355000000e-03  1.9219000000e-03 -1.4586000000e-03  1.5283000000e-03 -9.4515000000e-03 -2.8940000000e-03 -3.9910000000e-04 -5.3828000000e-03  2.3900000000e-05 -2.6028000000e-03 -2.0052000000e-03  5.9592000000e-03 -5.0200000000e-05 -2.9029000000e-03 -3.3165000000e-03  2.7593000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1535600000e-01  8.3651400000e-01  4.1242900000e-01  5.9783500000e-01 -6.1192000000e-02 -7.4503700000e-01 -2.6667650000e+00 -5.0943000000e-02 -1.6355100000e-01 -2.8973660000e+00  6.9852900000e-01  3.8539900000e-01 -1.7097200000e+00 -6.7186000000e-02 -1.5780700000e-01
+ENERGY -1.526586434008e+02
+FORCES -4.9831000000e-03  2.1096000000e-03 -2.3896000000e-03 -2.3180000000e-03 -4.2006000000e-03 -2.8825000000e-03 -2.6360000000e-03  1.3183000000e-03  4.5418000000e-03  1.7214000000e-02  8.6920000000e-04  1.8629000000e-03  2.2672000000e-03 -1.5483000000e-03 -1.2718000000e-03 -9.5441000000e-03  1.4517000000e-03  1.3930000000e-04
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2129500000e-01  1.1850700000e-01 -8.5129200000e-01 -9.3105100000e-01 -8.9501000000e-02 -2.0338300000e-01  3.3606810000e+00 -1.0691400000e-01 -1.3283000000e-01  3.0940040000e+00 -9.6941300000e-01  1.8530700000e-01  2.9816390000e+00 -4.6828000000e-02 -1.0097270000e+00
+ENERGY -1.526528814546e+02
+FORCES -2.3838000000e-03  1.5289000000e-03 -4.0104000000e-03 -8.8930000000e-04 -1.7269000000e-03  2.6135000000e-03  4.3675000000e-03  3.5300000000e-04  1.0312000000e-03 -3.6241000000e-03 -3.7180000000e-03 -4.5490000000e-04  2.5294000000e-03  3.2782000000e-03 -2.1508000000e-03  3.0000000000e-07  2.8480000000e-04  2.9715000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4174600000e-01  1.2645600000e-01  1.1556200000e-01 -3.3755700000e-01 -1.1452700000e-01  8.8835300000e-01 -4.0314200000e-01  3.0979330000e+00  1.3899330000e+00 -4.9040000000e-02  2.3592620000e+00  1.8851190000e+00  1.4656900000e-01  3.1482060000e+00  6.0793500000e-01
+ENERGY -1.526529707820e+02
+FORCES  1.0119000000e-03 -1.1719000000e-03  3.6706000000e-03 -4.3910000000e-03  1.0638000000e-03  3.0000000000e-07  2.6073000000e-03  1.2325000000e-03 -3.2036000000e-03  3.2036000000e-03 -4.2934000000e-03 -3.7018000000e-03 -1.2402000000e-03  1.9728000000e-03 -7.7880000000e-04 -1.1917000000e-03  1.1962000000e-03  4.0133000000e-03
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5872800000e-01  8.6329700000e-01 -3.2250600000e-01  9.5382600000e-01 -9.9950000000e-03 -7.9671000000e-02 -1.6936820000e+00 -1.8319860000e+00 -1.5038740000e+00 -1.0467030000e+00 -1.4677560000e+00 -8.9973300000e-01 -2.5165190000e+00 -1.4094190000e+00 -1.2576880000e+00
+ENERGY -1.526607289854e+02
+FORCES  1.9730000000e-03  3.8229000000e-03 -3.1190000000e-03  1.5027000000e-03 -3.9304000000e-03  2.0329000000e-03 -4.7564000000e-03  3.7670000000e-04  3.4900000000e-05  3.9022000000e-03  7.0937000000e-03  7.3309000000e-03 -4.9049000000e-03 -6.6092000000e-03 -4.9839000000e-03  2.2835000000e-03 -7.5370000000e-04 -1.2957000000e-03
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3115900000e-01  2.1915700000e-01  3.3830000000e-02  2.2969300000e-01  7.0771000000e-02 -9.2653400000e-01  1.7045700000e+00 -1.8737100000e+00  1.3701380000e+00  9.6658100000e-01 -1.6116910000e+00  8.1973000000e-01  1.5939180000e+00 -1.3691990000e+00  2.1760260000e+00
+ENERGY -1.526598516368e+02
+FORCES -9.3780000000e-04  2.0030000000e-03 -3.1837000000e-03  4.8170000000e-03 -1.0505000000e-03 -1.9690000000e-04 -2.0195000000e-03 -9.8940000000e-04  4.7130000000e-03 -7.3711000000e-03  9.2203000000e-03 -2.0665000000e-03  4.5940000000e-03 -6.7499000000e-03  1.9407000000e-03  9.1730000000e-04 -2.4335000000e-03 -1.2065000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1388000000e-02 -4.0916100000e-01  8.6477400000e-01 -8.0937200000e-01 -2.7999900000e-01 -4.2749300000e-01  1.7251770000e+00 -1.9037420000e+00 -1.6322180000e+00  1.2072070000e+00 -1.1219340000e+00 -1.4406050000e+00  1.3527410000e+00 -2.5823220000e+00 -1.0691440000e+00
+ENERGY -1.526582609223e+02
+FORCES -3.5326000000e-03 -1.5842000000e-03  4.7668000000e-03 -4.7780000000e-04  1.3727000000e-03 -4.5612000000e-03  5.9634000000e-03 -2.1880000000e-04  9.6280000000e-04 -5.2034000000e-03  4.6875000000e-03  6.8548000000e-03  2.2203000000e-03 -5.6381000000e-03 -6.1553000000e-03  1.0301000000e-03  1.3809000000e-03 -1.8678000000e-03
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0790100000e-01 -9.4874600000e-01 -6.6861000000e-02  6.3748700000e-01  3.5815900000e-01 -6.1770900000e-01 -1.4099560000e+00 -1.5269970000e+00  2.7467160000e+00 -1.5155280000e+00 -2.4153300000e+00  2.4062010000e+00 -4.7936800000e-01 -1.4611200000e+00  2.9609520000e+00
+ENERGY -1.526528730143e+02
+FORCES  1.8610000000e-03 -2.6773000000e-03 -3.0475000000e-03  5.9330000000e-04  3.5719000000e-03  2.0330000000e-04 -2.8284000000e-03 -1.4862000000e-03  3.0586000000e-03  3.3453000000e-03 -1.6667000000e-03 -1.0340000000e-04  9.3330000000e-04  3.8012000000e-03  5.6900000000e-04 -3.9045000000e-03 -1.5428000000e-03 -6.8000000000e-04
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4701200000e-01 -5.1108500000e-01 -3.1144300000e-01  1.7357300000e-01 -3.3929700000e-01  8.7805600000e-01  1.1855000000e-01  2.8619880000e+00 -1.2649100000e-01  8.2086500000e-01  3.0900930000e+00 -7.3555100000e-01  6.0585000000e-02  1.9077050000e+00 -1.7356500000e-01
+ENERGY -1.526622768160e+02
+FORCES -2.1693000000e-03 -1.8582000000e-03  2.7618000000e-03  3.8223000000e-03  1.9370000000e-03  2.2200000000e-03 -1.4878000000e-03  8.0270000000e-04 -4.6867000000e-03  1.3893000000e-03 -1.0381400000e-02 -1.6066000000e-03 -2.0467000000e-03 -1.1767000000e-03  1.7496000000e-03  4.9230000000e-04  1.0676600000e-02 -4.3810000000e-04
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1687900000e-01  8.1508000000e-01  4.8807300000e-01  9.4831300000e-01 -8.8996000000e-02 -9.4942000000e-02 -1.5534800000e+00  1.6868750000e+00  1.3256700000e+00 -2.3229360000e+00  1.2810350000e+00  9.2634100000e-01 -1.5384830000e+00  1.3449050000e+00  2.2195730000e+00
+ENERGY -1.526594056973e+02
+FORCES -6.2303000000e-03  9.5494000000e-03  5.6580000000e-03  7.0881000000e-03 -6.8911000000e-03 -3.6429000000e-03 -3.6474000000e-03  2.5756000000e-03  2.4948000000e-03 -1.2595000000e-03 -9.3446000000e-03 -3.0809000000e-03  3.0080000000e-03  2.8178000000e-03  3.2419000000e-03  1.0412000000e-03  1.2930000000e-03 -4.6710000000e-03
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0347600000e-01  4.6147300000e-01 -4.5650400000e-01  2.0654100000e-01  5.5846000000e-01  7.4946400000e-01 -1.8129840000e+00  1.4968330000e+00 -1.4235230000e+00 -1.4093830000e+00  2.3034930000e+00 -1.1031530000e+00 -1.4725430000e+00  1.3947040000e+00 -2.3122870000e+00
+ENERGY -1.526588976767e+02
+FORCES -1.1554200000e-02  7.8708000000e-03 -5.4374000000e-03  9.6690000000e-03 -2.8324000000e-03  4.8731000000e-03 -1.3407000000e-03 -9.7300000000e-05 -3.3199000000e-03  4.8068000000e-03  1.4038000000e-03 -2.1638000000e-03 -3.9610000000e-04 -6.7406000000e-03  1.6630000000e-04 -1.1847000000e-03  3.9580000000e-04  5.8817000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1280300000e-01  7.3110400000e-01  5.3279800000e-01 -3.5154900000e-01 -7.7889000000e-01  4.3124900000e-01 -1.5043180000e+00 -1.8038450000e+00  1.4202800000e+00 -1.5248120000e+00 -1.5184080000e+00  2.3337010000e+00 -2.2214950000e+00 -1.3262110000e+00  1.0034420000e+00
+ENERGY -1.526579480692e+02
+FORCES -6.6218000000e-03 -9.2773000000e-03  1.0396400000e-02 -2.8690000000e-04 -2.3530000000e-03 -1.3215000000e-03  1.4944000000e-03  7.2724000000e-03 -6.3437000000e-03 -1.3054000000e-03  4.9957000000e-03  7.1700000000e-04 -2.0400000000e-05 -1.0900000000e-05 -5.5564000000e-03  6.7402000000e-03 -6.2690000000e-04  2.1082000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9521800000e-01 -3.0568800000e-01  1.4619100000e-01  3.5336700000e-01  1.3698100000e-01  8.7897600000e-01 -2.8775250000e+00  1.4774100000e-01  4.6659000000e-02 -3.3438930000e+00  8.0909100000e-01 -4.6456400000e-01 -3.1396270000e+00 -6.8607800000e-01 -3.4357200000e-01
+ENERGY -1.526584595579e+02
+FORCES -9.2687000000e-03  1.7757000000e-03  3.5745000000e-03  7.6665000000e-03 -5.0320000000e-03 -6.1030000000e-04 -1.4232000000e-03 -3.8490000000e-04 -2.8141000000e-03 -1.3801000000e-03  3.6609000000e-03 -4.8252000000e-03  3.0480000000e-04 -3.9035000000e-03  2.4725000000e-03  4.1007000000e-03  3.8839000000e-03  2.2025000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3147500000e-01  1.9210700000e-01 -1.0807600000e-01  3.6981100000e-01  1.0411800000e-01 -8.7671600000e-01  1.8453520000e+00 -1.6866710000e+00  1.4729040000e+00  1.0073110000e+00 -1.4347840000e+00  1.0849960000e+00  1.7288460000e+00 -2.6037030000e+00  1.7213220000e+00
+ENERGY -1.526605521405e+02
+FORCES -7.2240000000e-04  2.6441000000e-03 -4.0693000000e-03  4.4511000000e-03 -1.0147000000e-03 -6.0500000000e-05 -3.0256000000e-03 -4.8910000000e-04  3.9056000000e-03 -6.4717000000e-03  2.2374000000e-03 -2.7109000000e-03  6.4289000000e-03 -6.7863000000e-03  4.2885000000e-03 -6.6020000000e-04  3.4087000000e-03 -1.3534000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1500000000e-02 -9.5146400000e-01 -9.1077000000e-02  2.2899400000e-01  3.3674900000e-01 -8.6625300000e-01 -1.3954480000e+00 -1.6595460000e+00  3.1160700000e+00 -1.9031110000e+00 -2.3424940000e+00  3.5543540000e+00 -1.6500160000e+00 -1.7246440000e+00  2.1956410000e+00
+ENERGY -1.526536480053e+02
+FORCES  2.4795000000e-03 -1.8391000000e-03 -4.1661000000e-03 -1.7678000000e-03  3.7504000000e-03  6.1340000000e-04 -9.0500000000e-04 -1.4353000000e-03  3.7337000000e-03 -3.5561000000e-03 -1.9193000000e-03 -2.0676000000e-03  2.2288000000e-03  2.8690000000e-03 -1.8398000000e-03  1.5206000000e-03 -1.4257000000e-03  3.7264000000e-03
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8075100000e-01 -9.3801200000e-01  6.0783000000e-02 -1.9234000000e-02  3.0733100000e-01  9.0631600000e-01 -1.3305000000e+00 -1.5269310000e+00  2.9399150000e+00 -1.6529940000e+00 -7.7763500000e-01  2.4391310000e+00 -1.8568230000e+00 -1.5256900000e+00  3.7394240000e+00
+ENERGY -1.526554975222e+02
+FORCES  1.6221000000e-03 -3.8674000000e-03  3.9292000000e-03 -1.1980000000e-04  5.0229000000e-03 -1.0230000000e-03 -2.3881000000e-03 -5.5450000000e-04 -3.8210000000e-03 -4.9568000000e-03  2.1321000000e-03  2.8217000000e-03  3.6337000000e-03 -2.8988000000e-03  1.6502000000e-03  2.2090000000e-03  1.6580000000e-04 -3.5571000000e-03
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4031200000e-01  4.4725000000e-01  4.1004600000e-01  1.2271400000e-01 -9.2241400000e-01  2.2433500000e-01 -1.6731950000e+00  1.7896420000e+00  1.3317770000e+00 -1.1750940000e+00  1.0388800000e+00  1.0085370000e+00 -1.2704490000e+00  2.5462710000e+00  9.0570200000e-01
+ENERGY -1.526589208152e+02
+FORCES  2.3058000000e-03 -1.1741000000e-03  1.7631000000e-03 -6.7735000000e-03 -1.0767000000e-03 -8.6930000000e-04 -4.0730000000e-04  5.3919000000e-03 -5.0120000000e-04  6.8232000000e-03 -7.5073000000e-03 -9.3882000000e-03 -1.9360000000e-03  6.6787000000e-03  7.1413000000e-03 -1.2200000000e-05 -2.3125000000e-03  1.8542000000e-03
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3800400000e-01 -2.3817000000e-02  1.8924400000e-01  4.1958000000e-01 -1.5405100000e-01  8.4643500000e-01 -1.3668230000e+00  1.3754060000e+00  2.6865380000e+00 -5.4505600000e-01  1.7393280000e+00  2.3571600000e+00 -1.2031240000e+00  4.3464900000e-01  2.7529550000e+00
+ENERGY -1.526535977848e+02
+FORCES -3.6515000000e-03 -4.2560000000e-04  3.6005000000e-03  4.9914000000e-03 -1.2592000000e-03 -7.3110000000e-04 -2.2075000000e-03  1.7602000000e-03 -1.9645000000e-03  4.5856000000e-03 -7.4520000000e-04 -7.3000000000e-04 -3.5186000000e-03 -2.7492000000e-03  2.2559000000e-03 -1.9940000000e-04  3.4190000000e-03 -2.4309000000e-03
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7099400000e-01  1.2211300000e-01 -5.5397600000e-01 -3.2890000000e-02 -9.4298400000e-01  1.6103000000e-01  1.3598540000e+00 -1.5315170000e+00  2.6854360000e+00  1.5780320000e+00 -2.2852790000e+00  2.1372820000e+00  4.2135800000e-01 -1.4002370000e+00  2.5504430000e+00
+ENERGY -1.526526805051e+02
+FORCES  5.5489000000e-03 -2.6579000000e-03 -1.1288000000e-03 -3.7947000000e-03 -6.2260000000e-04  1.4406000000e-03 -8.9680000000e-04  2.8215000000e-03  9.3920000000e-04 -3.2969000000e-03 -6.4220000000e-04 -1.9901000000e-03 -1.4800000000e-03  3.7240000000e-03  1.0818000000e-03  3.9196000000e-03 -2.6228000000e-03 -3.4280000000e-04
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3515500000e-01 -7.0205100000e-01 -5.5769900000e-01  9.5039600000e-01 -1.1256700000e-01 -1.7547000000e-02  1.1491570000e+00 -1.5440010000e+00  3.0688300000e+00  4.4487100000e-01 -1.7168580000e+00  2.4440640000e+00  8.5969100000e-01 -1.9637090000e+00  3.8789450000e+00
+ENERGY -1.526560650425e+02
+FORCES  3.5846000000e-03 -1.1217000000e-03 -3.7031000000e-03  1.2882000000e-03  2.3591000000e-03  3.4612000000e-03 -4.9477000000e-03 -1.0090000000e-04 -4.3480000000e-04 -5.0071000000e-03 -1.1956000000e-03  7.1510000000e-04  4.0865000000e-03 -1.5028000000e-03  3.2878000000e-03  9.9540000000e-04  1.5618000000e-03 -3.3261000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8305800000e-01 -7.5207300000e-01  5.6312400000e-01 -9.0193800000e-01 -1.3259600000e-01 -2.9181900000e-01 -1.5465930000e+00  1.0849260000e+00  2.4977550000e+00 -7.5643300000e-01  1.3821820000e+00  2.9488830000e+00 -2.2664880000e+00  1.4829950000e+00  2.9871680000e+00
+ENERGY -1.526544480157e+02
+FORCES -6.2873000000e-03 -2.0505000000e-03  4.1022000000e-03  6.7890000000e-04  2.4310000000e-03 -2.5425000000e-03  4.0224000000e-03 -5.9750000000e-04 -1.2221000000e-03  2.5415000000e-03  3.7120000000e-03  2.9620000000e-03 -3.9173000000e-03 -1.6370000000e-03 -4.5120000000e-04  2.9618000000e-03 -1.8580000000e-03 -2.8485000000e-03
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4834300000e-01  3.6829900000e-01 -6.0020000000e-01  1.6189000000e-01  4.4603700000e-01  8.3130900000e-01  1.4305440000e+00  1.7029030000e+00 -1.7038220000e+00  2.3729570000e+00  1.8704500000e+00 -1.7081510000e+00  1.1819370000e+00  1.7063230000e+00 -2.6281670000e+00
+ENERGY -1.526604481277e+02
+FORCES  6.8327000000e-03  9.5838000000e-03 -5.1191000000e-03 -3.8368000000e-03 -7.0260000000e-03  4.9811000000e-03 -1.1680000000e-04 -1.5498000000e-03 -2.0205000000e-03 -3.1610000000e-04 -2.8100000000e-05 -2.4603000000e-03 -5.0145000000e-03 -1.0045000000e-03  2.1300000000e-05  2.4515000000e-03  2.4600000000e-05  4.5975000000e-03
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9679400000e-01  8.3833200000e-01 -4.1797600000e-01  3.6755500000e-01  7.8611000000e-02  8.8031600000e-01 -2.5684230000e+00  1.9807700000e-01  3.5719000000e-02 -3.1128990000e+00 -3.4020900000e-01 -5.3875900000e-01 -1.6707640000e+00 -6.0934000000e-02 -1.7249800000e-01
+ENERGY -1.526584334974e+02
+FORCES -1.1188600000e-02  3.9401000000e-03  4.6379000000e-03 -2.2333000000e-03 -4.7969000000e-03  2.4732000000e-03 -3.9420000000e-04  7.1460000000e-04 -5.1039000000e-03  1.8723800000e-02 -3.1399000000e-03  4.3150000000e-04  4.7344000000e-03  7.7670000000e-04  8.4040000000e-04 -9.6422000000e-03  2.5055000000e-03 -3.2791000000e-03
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5752700000e-01 -5.5039400000e-01  6.9675800000e-01  9.4732500000e-01 -1.2408500000e-01  5.8389000000e-02  2.8566160000e+00 -8.0917000000e-02  3.5851400000e-01  3.3032980000e+00 -8.4436500000e-01  7.2437400000e-01  3.1138730000e+00  6.4368900000e-01  9.2859900000e-01
+ENERGY -1.526613263566e+02
+FORCES  1.0144800000e-02 -2.3751000000e-03  2.7407000000e-03  1.6165000000e-03  1.5017000000e-03 -1.8197000000e-03 -1.0642000000e-02  4.3460000000e-04 -8.9600000000e-04  2.2602000000e-03  8.4790000000e-04  3.3036000000e-03 -2.5092000000e-03  4.1311000000e-03 -9.7420000000e-04 -8.7030000000e-04 -4.5402000000e-03 -2.3544000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3540100000e-01 -5.6385700000e-01 -6.3931400000e-01 -5.6187400000e-01 -3.6402000000e-02  7.7408300000e-01  2.8565690000e+00  4.5343000000e-02  1.4386200000e-01  3.2907910000e+00 -5.7695200000e-01 -4.3960400000e-01  1.9241690000e+00 -1.5134700000e-01  5.3447000000e-02
+ENERGY -1.526607550829e+02
+FORCES -3.1498000000e-03 -7.4740000000e-04  1.7672000000e-03  2.7528000000e-03  2.2460000000e-03  3.5663000000e-03  1.7851000000e-03 -3.1610000000e-04 -4.6280000000e-03 -9.5367000000e-03 -1.3820000000e-03 -1.7162000000e-03 -2.6512000000e-03  1.6167000000e-03  1.3924000000e-03  1.0799800000e-02 -1.4172000000e-03 -3.8170000000e-04
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3557300000e-01 -2.7702000000e-01 -3.7591200000e-01  1.3901200000e-01  9.1450100000e-01  2.4616200000e-01 -1.6984730000e+00 -1.6443200000e+00 -1.1318320000e+00 -1.3767610000e+00 -2.5225220000e+00 -9.2812700000e-01 -1.1603280000e+00 -1.0613810000e+00 -5.9628200000e-01
+ENERGY -1.526581085894e+02
+FORCES -6.0737000000e-03 -3.5772000000e-03 -5.9100000000e-03 -4.4299000000e-03  1.4420000000e-03  2.6673000000e-03  1.7732000000e-03 -4.6161000000e-03 -1.7680000000e-03  9.5202000000e-03  1.0392800000e-02  8.9404000000e-03  1.1366000000e-03  3.5341000000e-03 -3.0590000000e-04 -1.9262000000e-03 -7.1756000000e-03 -3.6238000000e-03
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7371000000e-02 -4.8836600000e-01  8.2306100000e-01 -6.7278600000e-01 -4.1517800000e-01 -5.3964700000e-01  1.6712890000e+00 -1.4508050000e+00 -1.2201500000e+00  1.2896890000e+00 -7.2503900000e-01 -7.2631100000e-01  1.2822630000e+00 -2.2351420000e+00 -8.3323000000e-01
+ENERGY -1.526519541938e+02
+FORCES  7.4959000000e-03 -1.3040800000e-02 -8.8666000000e-03  2.2067000000e-03  1.4110000000e-04 -6.7807000000e-03  4.9401000000e-03  6.2670000000e-04  3.8456000000e-03 -1.7195200000e-02  1.5593700000e-02  1.4721900000e-02  3.4607000000e-03 -5.9730000000e-03 -2.6505000000e-03 -9.0820000000e-04  2.6523000000e-03 -2.6970000000e-04
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3106100000e-01  7.3469700000e-01 -5.1657600000e-01 -4.2615200000e-01 -7.6975100000e-01 -3.7697400000e-01  2.9210690000e+00  2.5163000000e-01 -1.7608300000e-01  3.3137920000e+00  1.0710570000e+00 -4.7698100000e-01  2.0512620000e+00  5.0239700000e-01  1.3501500000e-01
+ENERGY -1.526585230791e+02
+FORCES -1.8100000000e-03 -3.7342000000e-03 -5.0427000000e-03  3.0827000000e-03 -2.7829000000e-03  2.6455000000e-03  1.0490000000e-04  4.2084000000e-03  1.5113000000e-03 -7.2250000000e-03  1.2102000000e-03  1.1119000000e-03 -2.8538000000e-03 -2.5634000000e-03  7.2020000000e-04  8.7013000000e-03  3.6619000000e-03 -9.4620000000e-04
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4813700000e-01 -7.6013400000e-01  4.6607700000e-01 -9.1725800000e-01  4.7346000000e-02  2.6949500000e-01  1.5653990000e+00  1.8572090000e+00  1.1038250000e+00  1.0064060000e+00  1.2903250000e+00  5.7241000000e-01  1.5717420000e+00  1.4459390000e+00  1.9681450000e+00
+ENERGY -1.526579738927e+02
+FORCES  2.2198000000e-03  2.9762000000e-03  5.6965000000e-03 -1.9658000000e-03  5.6261000000e-03 -8.8010000000e-04  5.5584000000e-03 -8.7110000000e-04 -3.6110000000e-04 -1.1687800000e-02 -1.3196800000e-02 -6.3776000000e-03  6.1809000000e-03  5.4918000000e-03  4.3259000000e-03 -3.0550000000e-04 -2.6100000000e-05 -2.4036000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6382000000e-01 -5.2837800000e-01 -4.4316200000e-01 -7.2180000000e-02 -2.4767700000e-01  9.2178000000e-01  1.7373210000e+00 -1.5870470000e+00 -1.5405230000e+00  1.3991670000e+00 -8.5880300000e-01 -1.0194240000e+00  2.6814240000e+00 -1.4346910000e+00 -1.5816200000e+00
+ENERGY -1.526615166772e+02
+FORCES -3.2674000000e-03 -4.9443000000e-03  1.6552000000e-03  4.8035000000e-03  2.7354000000e-03  2.5275000000e-03  3.3200000000e-05  1.0818000000e-03 -4.5248000000e-03 -3.0093000000e-03  7.6193000000e-03  5.8980000000e-03  4.7514000000e-03 -6.9914000000e-03 -6.9677000000e-03 -3.3115000000e-03  4.9920000000e-04  1.4119000000e-03
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2585000000e-01  1.6240600000e-01 -7.0581000000e-01 -1.4772000000e-01 -9.4545100000e-01 -2.3068000000e-02 -1.7308000000e-02 -2.7146040000e+00  2.3630000000e-02  4.5796500000e-01 -3.1970130000e+00 -6.5285300000e-01  2.1117000000e-02 -3.2811430000e+00  7.9420600000e-01
+ENERGY -1.526594579559e+02
+FORCES  1.6059000000e-03 -1.4869600000e-02 -1.2222000000e-03 -1.5764000000e-03 -1.1442000000e-03  1.5125000000e-03 -8.9880000000e-04  8.4933000000e-03 -8.0870000000e-04  2.3013000000e-03  4.2492000000e-03  1.4435000000e-03 -1.8560000000e-03  1.9732000000e-03  3.9228000000e-03  4.2400000000e-04  1.2981000000e-03 -4.8479000000e-03
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5392700000e-01 -4.0502000000e-01 -4.2870000000e-01  7.5976100000e-01 -3.8201000000e-01 -4.3939000000e-01  1.7723930000e+00 -1.7658530000e+00 -1.2913190000e+00  2.6883720000e+00 -2.0411920000e+00 -1.3287610000e+00  1.4576240000e+00 -1.8563970000e+00 -2.1907380000e+00
+ENERGY -1.526595447571e+02
+FORCES  6.0618000000e-03 -9.2107000000e-03 -5.3326000000e-03  1.9380000000e-03  1.4970000000e-03  4.8160000000e-04 -5.7950000000e-03  6.3742000000e-03  2.0841000000e-03  1.3340000000e-03 -4.1530000000e-04 -1.2566000000e-03 -4.7315000000e-03  7.9660000000e-04 -9.6810000000e-04  1.1927000000e-03  9.5810000000e-04  4.9916000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8645700000e-01 -1.0847400000e-01  6.5821200000e-01  2.1354500000e-01 -6.4163200000e-01 -6.7745000000e-01 -1.5136650000e+00 -1.0199500000e-01  2.1758630000e+00 -1.0387020000e+00 -7.6002200000e-01  2.6834470000e+00 -1.2304320000e+00 -2.4506600000e-01  1.2727890000e+00
+ENERGY -1.526569056352e+02
+FORCES  7.9140000000e-04 -1.7150000000e-04  5.5148000000e-03 -5.6523000000e-03 -2.1254000000e-03 -2.8586000000e-03 -1.1466000000e-03  2.6845000000e-03  5.1485000000e-03  7.2585000000e-03 -1.7585000000e-03 -1.3954700000e-02  6.3410000000e-04  2.6080000000e-03 -2.8272000000e-03 -1.8852000000e-03 -1.2372000000e-03  8.9772000000e-03
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7892600000e-01 -5.2347600000e-01 -4.2575100000e-01  7.7015000000e-01 -1.0579900000e-01 -5.5848600000e-01  1.2788790000e+00  1.7165990000e+00  2.7653470000e+00  1.3818350000e+00  2.5628550000e+00  2.3300500000e+00  3.3185800000e-01  1.5971890000e+00  2.8369360000e+00
+ENERGY -1.526547388336e+02
+FORCES  2.0083000000e-03 -3.0322000000e-03 -3.9983000000e-03  2.6962000000e-03  2.3971000000e-03  2.2025000000e-03 -3.7594000000e-03  4.2780000000e-04  1.4667000000e-03 -4.9228000000e-03  1.4046000000e-03 -3.4518000000e-03  1.9400000000e-04 -2.8813000000e-03  1.9514000000e-03  3.7837000000e-03  1.6840000000e-03  1.8296000000e-03
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1775500000e-01  7.6914300000e-01 -4.7295200000e-01  4.9626300000e-01 -3.7900000000e-04  8.1850800000e-01 -2.7159540000e+00 -2.0794600000e-01 -2.5023700000e-01 -2.9759840000e+00  7.0750600000e-01 -3.5301600000e-01 -1.7589790000e+00 -1.8741600000e-01 -2.5346400000e-01
+ENERGY -1.526596197789e+02
+FORCES -2.9094000000e-03  1.2087000000e-03  2.8802000000e-03 -2.7538000000e-03 -3.4206000000e-03  3.1757000000e-03 -9.9650000000e-04  1.2719000000e-03 -4.8832000000e-03  1.4011600000e-02  2.7668000000e-03  2.0362000000e-03  1.7202000000e-03 -2.1716000000e-03  2.4400000000e-05 -9.0722000000e-03  3.4480000000e-04 -3.2332000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2593300000e-01 -4.0696700000e-01  8.5717600000e-01 -7.5692900000e-01 -2.8248700000e-01 -5.1331400000e-01 -7.9120000000e-03  2.5588130000e+00  9.2456000000e-02  7.1972100000e-01  2.9021110000e+00 -4.2612600000e-01  1.5148300000e-01  1.6159320000e+00  1.3489400000e-01
+ENERGY -1.526579616379e+02
+FORCES -4.3244000000e-03  1.3299100000e-02 -4.2790000000e-04 -1.9010000000e-04  3.2740000000e-03 -4.9191000000e-03  4.0591000000e-03 -5.9200000000e-05  3.7861000000e-03  1.5534000000e-03 -2.2258500000e-02 -1.3886000000e-03 -1.7294000000e-03 -3.1080000000e-03  8.9490000000e-04  6.3150000000e-04  8.8527000000e-03  2.0546000000e-03
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9383200000e-01  3.1525700000e-01 -4.3205900000e-01 -7.0570100000e-01  5.1833200000e-01 -3.8671700000e-01  1.2984000000e+00 -1.5090130000e+00 -3.2176130000e+00  1.8324030000e+00 -1.4452840000e+00 -2.4257730000e+00  1.5729090000e+00 -7.6437700000e-01 -3.7527710000e+00
+ENERGY -1.526532521801e+02
+FORCES -9.1280000000e-04  3.1368000000e-03 -4.5125000000e-03 -1.9967000000e-03 -1.7913000000e-03  1.7914000000e-03  2.9646000000e-03 -1.5545000000e-03  2.2619000000e-03  3.2043000000e-03  1.8220000000e-03  1.2066000000e-03 -1.7752000000e-03  1.0354000000e-03 -3.6024000000e-03 -1.4842000000e-03 -2.6484000000e-03  2.8550000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4920000000e-01  9.2319200000e-01  4.2990000000e-02  2.4441100000e-01 -3.5460900000e-01  8.5483800000e-01  1.7873770000e+00 -1.6794490000e+00 -1.0968850000e+00  1.5546110000e+00 -1.0490190000e+00 -4.1526200000e-01  2.7438040000e+00 -1.6569710000e+00 -1.1280800000e+00
+ENERGY -1.526523705175e+02
+FORCES  6.5250000000e-04  3.8380000000e-04 -1.7820000000e-04  2.2600000000e-04 -5.7668000000e-03 -2.8580000000e-04  4.3968000000e-03  1.7880000000e-04 -8.3115000000e-03 -6.7623000000e-03  8.2786000000e-03  3.4493000000e-03  6.0510000000e-03 -5.2587000000e-03  4.0846000000e-03 -4.5640000000e-03  2.1843000000e-03  1.2417000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2156400000e-01  7.9386700000e-01 -4.2732100000e-01  9.5325400000e-01  8.2945000000e-02 -2.5670000000e-02 -1.8319900000e-01 -2.9048360000e+00  1.4691370000e+00 -1.6461000000e-02 -3.7255840000e+00  1.9326040000e+00  1.7681000000e-01 -2.2280920000e+00  2.0424100000e+00
+ENERGY -1.526535052163e+02
+FORCES  2.2142000000e-03  3.2099000000e-03 -3.3627000000e-03  1.3863000000e-03 -3.5302000000e-03  1.7534000000e-03 -4.0268000000e-03 -1.3850000000e-04  1.1988000000e-03  1.4279000000e-03  1.2704000000e-03  4.0540000000e-03 -7.2880000000e-04  3.5473000000e-03 -2.3367000000e-03 -2.7280000000e-04 -4.3589000000e-03 -1.3069000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2733800000e-01 -2.0411300000e-01 -8.3183600000e-01 -9.2373000000e-01 -2.0200500000e-01 -1.4882400000e-01  1.9570550000e+00  1.8185440000e+00  1.1387050000e+00  1.0602350000e+00  1.6267340000e+00  8.6456300000e-01  2.5046820000e+00  1.3076340000e+00  5.4262800000e-01
+ENERGY -1.526582146605e+02
+FORCES -1.2847000000e-03 -2.4053000000e-03 -3.2427000000e-03 -1.4180000000e-03  1.6829000000e-03  4.3513000000e-03  4.6592000000e-03  9.6690000000e-04  3.5980000000e-04 -6.2237000000e-03 -7.9612000000e-03 -4.5916000000e-03  4.9036000000e-03  5.8143000000e-03  2.1253000000e-03 -6.3630000000e-04  1.9024000000e-03  9.9790000000e-04
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1961300000e-01 -5.2373000000e-02  9.0074200000e-01 -3.3143800000e-01 -7.9433600000e-01 -4.1882100000e-01 -1.7450670000e+00 -1.5845770000e+00 -1.2923780000e+00 -1.5773750000e+00 -2.4618390000e+00 -1.6366510000e+00 -1.7852080000e+00 -1.0258060000e+00 -2.0685190000e+00
+ENERGY -1.526591131392e+02
+FORCES -1.1598300000e-02 -1.0504700000e-02 -3.8144000000e-03  1.0665000000e-03 -2.1900000000e-05 -2.3830000000e-03  7.6714000000e-03  4.5750000000e-03  1.8589000000e-03  7.6710000000e-04  4.8888000000e-03 -2.0109000000e-03  8.9530000000e-04  5.4915000000e-03  2.3698000000e-03  1.1980000000e-03 -4.4287000000e-03  3.9796000000e-03
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6313600000e-01  2.8967200000e-01  6.2655600000e-01  8.3221000000e-02 -9.5347400000e-01 -1.3898000000e-02 -1.3116200000e+00 -1.2826020000e+00  3.0591050000e+00 -1.8297310000e+00 -1.9864840000e+00  3.4494160000e+00 -1.6044680000e+00 -1.2456010000e+00  2.1485540000e+00
+ENERGY -1.526564485802e+02
+FORCES  5.2414000000e-03 -1.7019000000e-03  2.5989000000e-03 -2.6771000000e-03 -1.0473000000e-03 -3.6394000000e-03 -2.0968000000e-03  3.8406000000e-03  3.4220000000e-04 -4.2617000000e-03 -1.4141000000e-03 -2.0782000000e-03  2.2018000000e-03  2.7928000000e-03 -1.9756000000e-03  1.5923000000e-03 -2.4701000000e-03  4.7520000000e-03
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5467900000e-01  7.1977700000e-01 -5.2187700000e-01 -9.4578800000e-01  1.4736300000e-01  6.3800000000e-04 -1.2022960000e+00 -1.7437380000e+00 -2.9517910000e+00 -5.3809300000e-01 -2.1464980000e+00 -3.5111210000e+00 -1.1176540000e+00 -8.0467100000e-01 -3.1167810000e+00
+ENERGY -1.526529064115e+02
+FORCES -3.1021000000e-03  2.0891000000e-03 -1.9292000000e-03 -1.5838000000e-03 -3.0545000000e-03  1.3638000000e-03  4.1605000000e-03  5.2830000000e-04  5.5100000000e-05  4.4811000000e-03  1.8090000000e-03 -1.8542000000e-03 -2.9296000000e-03  1.7220000000e-03  1.8403000000e-03 -1.0260000000e-03 -3.0940000000e-03  5.2410000000e-04
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0147700000e-01  8.4025300000e-01 -3.4542400000e-01 -4.3317600000e-01 -6.5420400000e-01 -5.4827800000e-01 -1.5945910000e+00 -1.8106780000e+00 -1.4557070000e+00 -1.6497870000e+00 -2.7637230000e+00 -1.5256500000e+00 -1.6071400000e+00 -1.5024190000e+00 -2.3618260000e+00
+ENERGY -1.526601512282e+02
+FORCES -8.0377000000e-03 -6.2493000000e-03 -5.7274000000e-03  7.1770000000e-04 -2.8902000000e-03 -1.1900000000e-05  6.0303000000e-03  7.7224000000e-03  2.4876000000e-03  7.5240000000e-04 -2.5048000000e-03 -9.8080000000e-04 -4.1510000000e-04  4.8252000000e-03 -1.1127000000e-03  9.5240000000e-04 -9.0330000000e-04  5.3452000000e-03
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3320800000e-01 -5.6509000000e-02  4.6776400000e-01 -9.1331000000e-02  9.2795600000e-01 -2.1630500000e-01 -2.0495630000e+00 -1.5738820000e+00  1.4935210000e+00 -1.8347320000e+00 -2.4818660000e+00  1.2798720000e+00 -1.4162600000e+00 -1.0544860000e+00  9.9815500000e-01
+ENERGY -1.526618462784e+02
+FORCES  3.0920000000e-03  4.6515000000e-03  3.3790000000e-04 -4.3560000000e-03  3.0770000000e-04 -2.3070000000e-03  1.5100000000e-03 -4.3329000000e-03  1.2182000000e-03  6.3282000000e-03  2.3734000000e-03 -6.2402000000e-03 -1.6350000000e-04  2.8264000000e-03  8.9870000000e-04 -6.4107000000e-03 -5.8260000000e-03  6.0926000000e-03
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7173800000e-01 -6.6641900000e-01  3.8109600000e-01  2.8432300000e-01  8.1976900000e-01  4.0419100000e-01 -1.1988450000e+00  3.3741370000e+00  4.0648000000e-01 -1.9180210000e+00  3.3505200000e+00 -2.2475700000e-01 -1.3918790000e+00  2.6625860000e+00  1.0169420000e+00
+ENERGY -1.526561317103e+02
+FORCES  4.7259000000e-03  9.3550000000e-04  1.9542000000e-03 -2.4019000000e-03  2.9361000000e-03 -1.4715000000e-03 -2.3922000000e-03 -5.0283000000e-03  1.0390000000e-04 -5.7349000000e-03 -2.6005000000e-03 -1.1468000000e-03  2.7997000000e-03  8.9400000000e-04  2.9853000000e-03  3.0034000000e-03  2.8631000000e-03 -2.4252000000e-03
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2371100000e-01  5.6586400000e-01 -5.6723600000e-01  1.3460700000e-01 -8.8088600000e-01 -3.4950300000e-01  3.6450000000e-02 -2.5981070000e+00 -1.6010600000e-01  7.5563500000e-01 -2.9944570000e+00 -6.5195100000e-01  1.0615100000e-01 -2.9785760000e+00  7.1546100000e-01
+ENERGY -1.526573727014e+02
+FORCES -3.6370000000e-04 -1.6733400000e-02 -1.3231000000e-03 -6.5360000000e-04 -4.9821000000e-03  6.6410000000e-04  2.5687000000e-03  9.6250000000e-03 -2.7301000000e-03  1.1467000000e-03  7.6478000000e-03  6.2621000000e-03 -3.0939000000e-03  4.6744000000e-03  2.5934000000e-03  3.9590000000e-04 -2.3170000000e-04 -5.4665000000e-03
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0486600000e-01  5.5723600000e-01  4.8975200000e-01 -1.5688100000e-01 -8.8105300000e-01  3.3965500000e-01 -1.5828380000e+00 -2.0550290000e+00  1.6658210000e+00 -1.4165850000e+00 -2.9793540000e+00  1.8507930000e+00 -1.5324820000e+00 -1.6264670000e+00  2.5202390000e+00
+ENERGY -1.526591547794e+02
+FORCES -6.7437000000e-03 -4.9160000000e-03  4.8680000000e-03  2.6511000000e-03 -3.4410000000e-04 -1.1177000000e-03  5.3181000000e-03  4.9621000000e-03 -3.5889000000e-03 -1.0523000000e-03 -2.9039000000e-03  5.3112000000e-03 -3.1590000000e-04  4.6880000000e-03 -8.0180000000e-04  1.4270000000e-04 -1.4862000000e-03 -4.6708000000e-03
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8048700000e-01 -7.3720900000e-01  5.4229300000e-01  5.7186800000e-01  7.2163100000e-01  2.6162300000e-01  1.8097470000e+00  1.5699610000e+00  1.6473620000e+00  2.4714840000e+00  1.2566820000e+00  1.0307660000e+00  1.7777870000e+00  2.5159710000e+00  1.5049700000e+00
+ENERGY -1.526575015193e+02
+FORCES  5.7034000000e-03  4.0322000000e-03  1.0218000000e-02 -6.2500000000e-04  1.1958000000e-03 -2.9816000000e-03 -7.8320000000e-04 -2.9818000000e-03 -8.0146000000e-03  3.3348000000e-03  2.8735000000e-03 -1.3000000000e-06 -7.2615000000e-03  5.0290000000e-04  1.3603000000e-03 -3.6840000000e-04 -5.6226000000e-03 -5.8080000000e-04
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0325500000e-01 -3.9692000000e-01 -6.2830700000e-01 -8.3242000000e-02  9.4179300000e-01 -1.4942500000e-01 -1.4099010000e+00  1.1831280000e+00  2.9185080000e+00 -1.8912880000e+00  1.7989560000e+00  2.3660090000e+00 -1.8643860000e+00  1.2102410000e+00  3.7604940000e+00
+ENERGY -1.526518978207e+02
+FORCES -2.8803000000e-03  2.2753000000e-03 -1.6229000000e-03  2.3857000000e-03  1.7008000000e-03  2.5414000000e-03 -6.3100000000e-05 -3.4938000000e-03 -6.0600000000e-05 -3.8340000000e-03  2.0735000000e-03  1.1326000000e-03  2.3642000000e-03 -2.1392000000e-03  1.7183000000e-03  2.0275000000e-03 -4.1660000000e-04 -3.7087000000e-03
+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4492000000e-01  1.5187400000e-01  1.7087000000e-02 -2.8237000000e-01  1.4265200000e-01  9.0341000000e-01 -2.0056770000e+00  1.5437790000e+00 -1.2114240000e+00 -1.2460050000e+00  1.2552010000e+00 -7.0560500000e-01 -1.9751660000e+00  1.0185290000e+00 -2.0110570000e+00
+ENERGY -1.526598007716e+02
+FORCES  1.3252000000e-03  8.7400000000e-05  2.2800000000e-03 -5.2080000000e-03 -6.2250000000e-04  2.4240000000e-04  1.1735000000e-03  1.6372000000e-03 -6.4139000000e-03  1.0262500000e-02 -9.5321000000e-03  1.6248000000e-03 -6.6845000000e-03  6.2067000000e-03  9.5740000000e-04 -8.6870000000e-04  2.2232000000e-03  1.3094000000e-03
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6400900000e-01 -5.9755000000e-02 -4.0761500000e-01  7.7640000000e-02 -5.1433400000e-01  8.0353200000e-01  2.9640350000e+00 -8.7181100000e-01  4.7763100000e-01  3.7046410000e+00 -1.1456190000e+00 -6.3446000000e-02  3.0624790000e+00  7.7018000000e-02  5.5678200000e-01
+ENERGY -1.526582082518e+02
+FORCES  6.7407000000e-03 -6.0223000000e-03  2.1109000000e-03 -4.1889000000e-03  4.5747000000e-03 -2.4390000000e-04 -2.3689000000e-03  3.0045000000e-03 -1.9964000000e-03  5.7267000000e-03  1.5233000000e-03 -1.3860000000e-04 -3.6347000000e-03  1.8653000000e-03  2.2732000000e-03 -2.2749000000e-03 -4.9454000000e-03 -2.0053000000e-03
+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7795100000e-01 -6.6866900000e-01 -3.6754100000e-01  3.1408700000e-01  8.2203200000e-01 -3.7662300000e-01  2.2195300000e-01  3.2369070000e+00  1.5775140000e+00 -5.7612000000e-02  4.1354900000e+00  1.7525090000e+00 -1.4277300000e-01  2.7269360000e+00  2.3007960000e+00
+ENERGY -1.526569330733e+02
+FORCES  3.7989000000e-03  1.9847000000e-03 -2.9849000000e-03 -2.2378000000e-03  2.6227000000e-03  1.4177000000e-03 -1.3086000000e-03 -5.5443000000e-03  2.1270000000e-04 -3.0396000000e-03  1.2570000000e-03  4.5726000000e-03  1.1370000000e-03 -3.7051000000e-03 -6.0380000000e-04  1.6502000000e-03  3.3851000000e-03 -2.6143000000e-03
+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3505900000e-01 -8.9653600000e-01  1.3781000000e-02 -7.1112700000e-01  5.2758100000e-01  3.6357700000e-01 -1.9062920000e+00  1.5229450000e+00  1.3499160000e+00 -1.7729370000e+00  2.2825720000e+00  7.8298200000e-01 -2.8543600000e+00  1.4800830000e+00  1.4746680000e+00
+ENERGY -1.526593654153e+02
+FORCES -1.0365600000e-02  2.6598000000e-03  7.7286000000e-03  7.2910000000e-04  2.4085000000e-03 -1.5160000000e-04  6.8535000000e-03  2.3220000000e-04 -7.1799000000e-03 -2.0863000000e-03  5.1800000000e-04 -1.4317000000e-03  1.6200000000e-04 -6.9604000000e-03  1.6843000000e-03  4.7074000000e-03  1.1418000000e-03 -6.4970000000e-04
+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7285900000e-01 -2.0521800000e-01 -5.2612400000e-01 -6.9890000000e-02  9.5388400000e-01 -3.8115000000e-02 -1.1496300000e-01  2.7579470000e+00 -2.9476900000e-01  5.9233800000e-01  3.2700780000e+00 -6.8678900000e-01 -9.1652000000e-01  3.1843890000e+00 -5.9789400000e-01
+ENERGY -1.526605925893e+02
+FORCES  1.6088000000e-03  1.3059300000e-02 -2.8628000000e-03 -1.7739000000e-03  9.7430000000e-04  1.3525000000e-03 -4.4200000000e-04 -9.3240000000e-03  1.4295000000e-03 -6.0100000000e-05 -1.4541000000e-03 -2.2221000000e-03 -4.1332000000e-03 -1.9942000000e-03  1.2240000000e-03  4.8004000000e-03 -1.2613000000e-03  1.0789000000e-03
+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7468700000e-01 -4.1204100000e-01 -3.8251100000e-01 -2.1854900000e-01 -5.5106100000e-01  7.5153200000e-01  5.2534000000e-02  2.6593150000e+00 -1.8969000000e-01  1.5695900000e-01  1.7139500000e+00 -8.1930000000e-02  5.1041700000e-01  3.0384040000e+00  5.6055400000e-01
+ENERGY -1.526592097517e+02
+FORCES -1.7510000000e-04  4.4000000000e-03  1.7042000000e-03 -3.9039000000e-03  3.1162000000e-03  3.2338000000e-03  2.4148000000e-03  1.7107000000e-03 -4.2935000000e-03 -2.6930000000e-04 -1.5612400000e-02  3.2380000000e-03  3.1240000000e-03  8.9912000000e-03 -2.2728000000e-03 -1.1905000000e-03 -2.6057000000e-03 -1.6097000000e-03
+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1564700000e-01 -7.1935100000e-01 -5.4693100000e-01 -9.4516200000e-01  1.8775000000e-02 -1.5016000000e-01 -2.7700550000e+00  5.3259000000e-02  3.4377000000e-02 -3.0892660000e+00  9.3751500000e-01 -1.4570100000e-01 -3.3758710000e+00 -5.2069600000e-01 -4.3444500000e-01
+ENERGY -1.526603946471e+02
+FORCES -1.2547300000e-02 -2.2668000000e-03 -8.5720000000e-04 -2.0470000000e-03  1.7807000000e-03  1.3775000000e-03  1.0310200000e-02  1.7736000000e-03 -1.4276000000e-03 -6.3460000000e-04  4.8740000000e-04 -1.2760000000e-03  2.0185000000e-03 -5.2812000000e-03  1.6830000000e-04  2.9002000000e-03  3.5063000000e-03  2.0151000000e-03
+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2053000000e-01 -5.8361000000e-01 -6.3149500000e-01 -4.4215200000e-01 -1.8445900000e-01  8.2867900000e-01 -1.6907100000e+00  1.9226640000e+00 -1.4001400000e+00 -1.6612690000e+00  2.8786870000e+00 -1.3629270000e+00 -1.3171770000e+00  1.6384070000e+00 -5.6593200000e-01
+ENERGY -1.526585538651e+02
+FORCES -1.4804000000e-03 -5.8652000000e-03 -2.5067000000e-03  1.8575000000e-03  2.7730000000e-03  4.5609000000e-03  6.0750000000e-04  3.5772000000e-03 -4.8243000000e-03  6.0129000000e-03 -8.9350000000e-04  4.7746000000e-03  4.7280000000e-04 -3.6666000000e-03  8.3150000000e-04 -7.4704000000e-03  4.0751000000e-03 -2.8361000000e-03
+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1439000000e-01 -4.4762600000e-01  8.1847400000e-01 -9.5639600000e-01  3.8110000000e-02 -9.3040000000e-03  4.1732400000e-01  2.7496030000e+00 -1.4381730000e+00  5.8878000000e-02  3.3924550000e+00 -2.0501280000e+00  7.1495000000e-02  1.9103210000e+00 -1.7418840000e+00
+ENERGY -1.526550411122e+02
+FORCES -1.6272000000e-03 -8.4520000000e-04  5.6466000000e-03 -1.4783000000e-03  1.4061000000e-03 -3.2445000000e-03  4.1810000000e-03  3.5200000000e-05 -1.5852000000e-03 -1.4658000000e-03 -3.4201000000e-03 -2.5044000000e-03  1.0415000000e-03 -2.9768000000e-03  2.9276000000e-03 -6.5130000000e-04  5.8009000000e-03 -1.2401000000e-03
+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9015900000e-01  7.5440000000e-01 -4.4146200000e-01  4.1947600000e-01 -1.8071000000e-02  8.6020100000e-01 -1.4157210000e+00  1.2707400000e+00  2.6949060000e+00 -6.1576000000e-01  1.6225700000e+00  2.3043810000e+00 -2.1251230000e+00  1.7053680000e+00  2.2215350000e+00
+ENERGY -1.526530208883e+02
+FORCES  2.7241000000e-03  7.9230000000e-04  2.4640000000e-03 -2.4653000000e-03 -2.3882000000e-03  2.9963000000e-03 -7.7800000000e-04  2.2351000000e-03 -4.0148000000e-03 -1.1587000000e-03  2.4907000000e-03 -6.5425000000e-03 -9.4840000000e-04 -2.3245000000e-03  2.0073000000e-03  2.6263000000e-03 -8.0540000000e-04  3.0897000000e-03
+
+JOB 60
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7715000000e-02 -8.1745100000e-01  4.9464600000e-01  8.3872000000e-02  6.7973000000e-01  6.6870300000e-01 -1.5282220000e+00  7.3994000000e-02 -2.2981920000e+00 -2.4536690000e+00 -4.3101000000e-02 -2.0835560000e+00 -1.0867960000e+00  1.0295800000e-01 -1.4493480000e+00
+ENERGY -1.526608272202e+02
+FORCES -1.0189000000e-03 -3.8480000000e-04  5.5540000000e-04 -3.0640000000e-04  4.9690000000e-03 -1.7500000000e-03 -6.6110000000e-04 -4.3948000000e-03 -2.5757000000e-03  5.4072000000e-03  1.0620000000e-04  1.1371500000e-02  3.1643000000e-03  8.5300000000e-05  6.1180000000e-04 -6.5852000000e-03 -3.8080000000e-04 -8.2130000000e-03
+
+JOB 61
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3998100000e-01 -3.7077300000e-01  2.7053800000e-01  1.2893700000e-01  9.4722300000e-01  4.8733000000e-02 -1.5909530000e+00 -1.9115680000e+00  1.2676490000e+00 -1.2336250000e+00 -1.1404800000e+00  8.2722600000e-01 -2.5286430000e+00 -1.7335090000e+00  1.3402000000e+00
+ENERGY -1.526614667006e+02
+FORCES  2.6551000000e-03  1.1670000000e-04  2.5645000000e-03 -4.6322000000e-03  2.9075000000e-03 -1.1970000000e-03  3.0270000000e-04 -4.5932000000e-03 -2.6010000000e-04  3.1922000000e-03  8.8718000000e-03 -5.5872000000e-03 -4.5935000000e-03 -8.0251000000e-03  5.1025000000e-03  3.0757000000e-03  7.2230000000e-04 -6.2270000000e-04
+
+JOB 62
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9326500000e-01  8.7324200000e-01  3.4107000000e-01 -9.5599400000e-01 -4.3711000000e-02 -1.9892000000e-02  1.8424290000e+00 -1.6556410000e+00  1.1334520000e+00  2.5909500000e+00 -1.1788940000e+00  7.7476000000e-01  1.0828960000e+00 -1.2798690000e+00  6.8832600000e-01
+ENERGY -1.526598627634e+02
+FORCES  1.9131000000e-03  8.1300000000e-05  4.6284000000e-03 -1.6100000000e-03 -4.0784000000e-03 -2.4316000000e-03  4.9338000000e-03  9.2110000000e-04  7.4010000000e-04 -8.6358000000e-03  9.4348000000e-03 -8.2592000000e-03 -1.9549000000e-03 -4.6320000000e-04  1.5707000000e-03  5.3539000000e-03 -5.8957000000e-03  3.7516000000e-03
+
+JOB 63
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6811100000e-01 -1.0334800000e-01  6.7762700000e-01 -2.6056000000e-01  7.8876000000e-01 -4.7560300000e-01 -1.7476210000e+00 -2.5410000000e-03  2.1679510000e+00 -1.3436230000e+00  7.0828000000e-01  2.6656970000e+00 -2.6888470000e+00  1.4827100000e-01  2.2550150000e+00
+ENERGY -1.526606687361e+02
+FORCES -1.0086000000e-02  8.3730000000e-04  7.6822000000e-03  7.7365000000e-03  1.3089000000e-03 -6.1977000000e-03  5.4330000000e-04 -1.8837000000e-03  1.9682000000e-03 -2.4990000000e-04  2.5156000000e-03 -8.3100000000e-05 -2.9076000000e-03 -3.2589000000e-03 -3.6783000000e-03  4.9638000000e-03  4.8090000000e-04  3.0880000000e-04
+
+JOB 64
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4026900000e-01 -3.7429000000e-02 -1.7528400000e-01  4.0514900000e-01  1.9725000000e-02 -8.6700500000e-01  1.5662360000e+00  1.5294060000e+00  1.4782330000e+00  2.3891820000e+00  1.3665000000e+00  1.0173060000e+00  9.4366300000e-01  9.2104300000e-01  1.0800750000e+00
+ENERGY -1.526579288552e+02
+FORCES  3.6001000000e-03  7.4048000000e-03  2.7537000000e-03  5.0983000000e-03 -1.3310000000e-04 -8.8840000000e-04 -2.1199000000e-03 -1.6080000000e-04  4.6261000000e-03 -9.8020000000e-03 -1.1080200000e-02 -9.8104000000e-03 -2.9442000000e-03 -1.0500000000e-05 -2.4640000000e-04  6.1678000000e-03  3.9798000000e-03  3.5653000000e-03
+
+JOB 65
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0366500000e-01  7.0492500000e-01 -4.0698100000e-01  3.4010000000e-01 -5.3216000000e-02  8.9315800000e-01  1.7819670000e+00  2.0886600000e-01  2.3046740000e+00  2.4971920000e+00  2.1725000000e-02  1.6966740000e+00  1.7830760000e+00 -5.3130000000e-01  2.9116210000e+00
+ENERGY -1.526598817888e+02
+FORCES  6.1818000000e-03  4.4189000000e-03  8.5638000000e-03 -7.6450000000e-04 -2.7865000000e-03  4.1900000000e-04 -4.5359000000e-03 -3.0063000000e-03 -7.6729000000e-03  4.6395000000e-03 -3.2162000000e-03  4.2140000000e-04 -4.9621000000e-03  1.1665000000e-03  2.2984000000e-03 -5.5870000000e-04  3.4235000000e-03 -4.0298000000e-03
+
+JOB 66
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3580000000e-01 -5.2805900000e-01  3.0981300000e-01  7.7253200000e-01 -5.3564400000e-01  1.8030700000e-01  1.6944800000e+00 -1.8384810000e+00  1.3481390000e+00  1.2276430000e+00 -1.7719200000e+00  2.1811240000e+00  1.1842690000e+00 -2.4663670000e+00  8.3659600000e-01
+ENERGY -1.526563842668e+02
+FORCES  6.7362000000e-03 -7.8571000000e-03  6.8683000000e-03  2.5526000000e-03  6.8710000000e-04 -5.5070000000e-04 -6.5986000000e-03  1.7086000000e-03 -5.8614000000e-03 -4.9229000000e-03 -8.4200000000e-04  3.5292000000e-03  1.5551000000e-03 -9.9230000000e-04 -4.9583000000e-03  6.7770000000e-04  7.2956000000e-03  9.7290000000e-04
+
+JOB 67
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1040700000e-01 -3.5267700000e-01  5.3588500000e-01 -1.5553900000e-01 -6.7136500000e-01 -6.6431100000e-01  1.5613100000e+00 -1.4376000000e-01  2.2168870000e+00  1.3341300000e+00  6.9878900000e-01  2.6102480000e+00  2.4843190000e+00 -5.6405000000e-02  1.9788670000e+00
+ENERGY -1.526593226967e+02
+FORCES  6.1075000000e-03 -2.5926000000e-03  9.5294000000e-03 -2.9218000000e-03 -8.1300000000e-05 -1.0398700000e-02  2.4370000000e-03  1.2784000000e-03  3.6226000000e-03 -2.7567000000e-03  6.5214000000e-03 -5.7520000000e-04  2.9285000000e-03 -4.3239000000e-03 -9.9170000000e-04 -5.7945000000e-03 -8.0200000000e-04 -1.1864000000e-03
+
+JOB 68
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3466400000e-01  6.2922700000e-01 -5.7564900000e-01  6.5248600000e-01 -2.0243800000e-01  6.7045700000e-01  1.8097510000e+00  1.3570100000e-01  2.1791370000e+00  2.5516900000e+00  2.1537500000e-01  1.5796280000e+00  1.9322820000e+00 -7.1477700000e-01  2.6009250000e+00
+ENERGY -1.526573300997e+02
+FORCES  7.8606000000e-03  3.3397000000e-03  9.3671000000e-03 -2.9980000000e-04 -2.2922000000e-03  2.0331000000e-03 -2.4201000000e-03 -3.1227000000e-03 -9.2812000000e-03  3.3205000000e-03 -1.0075000000e-03  1.3760000000e-03 -6.9914000000e-03 -1.2981000000e-03  5.6980000000e-04 -1.4698000000e-03  4.3808000000e-03 -4.0648000000e-03
+
+JOB 69
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4900400000e-01 -1.2736500000e-01  5.8224000000e-01 -5.6654000000e-02 -7.2238800000e-01 -6.2544200000e-01 -1.6077140000e+00 -2.9769350000e+00  5.4526700000e-01 -1.9252130000e+00 -3.7954820000e+00  1.6394400000e-01 -6.5728200000e-01 -3.0834210000e+00  5.8491400000e-01
+ENERGY -1.526571781105e+02
+FORCES -5.9241000000e-03 -3.6409000000e-03 -4.7210000000e-04  4.4612000000e-03  2.0170000000e-03 -1.6827000000e-03  2.5606000000e-03  2.4277000000e-03  2.3173000000e-03  1.6567000000e-03 -5.7102000000e-03 -2.2920000000e-04  1.8479000000e-03  3.5327000000e-03  1.5332000000e-03 -4.6022000000e-03  1.3737000000e-03 -1.4665000000e-03
+
+JOB 70
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3202300000e-01  2.8440000000e-03  4.7324600000e-01 -5.3360000000e-02  7.5670500000e-01 -5.8376500000e-01 -1.5397070000e+00  3.4071600000e-01  2.2101930000e+00 -1.1785070000e+00 -4.5018400000e-01  2.6104960000e+00 -9.7707500000e-01  1.0478640000e+00  2.5258170000e+00
+ENERGY -1.526589475991e+02
+FORCES -1.0290200000e-02  3.4501000000e-03  8.6261000000e-03  5.9012000000e-03 -3.0246000000e-03 -6.8350000000e-03 -2.8810000000e-04 -1.6004000000e-03  3.2429000000e-03  1.0025400000e-02  3.3710000000e-04 -5.8980000000e-04 -1.9190000000e-03  3.8568000000e-03 -3.4145000000e-03 -3.4293000000e-03 -3.0190000000e-03 -1.0297000000e-03
+
+JOB 71
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+ENERGY -1.526582473780e+02
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+
+JOB 72
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+
+JOB 73
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+
+JOB 74
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+
+JOB 75
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+
+JOB 76
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2815000000e-01 -1.8470700000e-01 -9.1107800000e-01 -9.5591800000e-01 -4.4475000000e-02  2.1774000000e-02 -1.2427120000e+00  2.7894050000e+00  7.2761800000e-01 -1.1850870000e+00  2.1340220000e+00  1.4228760000e+00 -4.7681400000e-01  2.6240060000e+00  1.7782200000e-01
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+
+JOB 77
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+ENERGY -1.526581018169e+02
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+
+JOB 78
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+ENERGY -1.526552966645e+02
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+
+JOB 79
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+ENERGY -1.526528013517e+02
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+
+JOB 80
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+
+JOB 81
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+JOB 82
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+
+JOB 83
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+JOB 84
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+
+JOB 85
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+
+JOB 86
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+
+JOB 87
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+JOB 88
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+JOB 89
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+JOB 90
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+JOB 91
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+JOB 92
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+JOB 93
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+ENERGY -1.526579025407e+02
+FORCES -7.4401000000e-03 -8.0497000000e-03 -2.3965000000e-03  5.7286000000e-03  5.2837000000e-03  2.3843000000e-03  2.4990000000e-04  1.4535000000e-03 -1.5508000000e-03  5.0332000000e-03 -4.0864000000e-03 -6.2200000000e-04 -5.2010000000e-04  4.3083000000e-03 -2.1132000000e-03 -3.0515000000e-03  1.0907000000e-03  4.2982000000e-03
+
+JOB 94
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2575800000e-01  5.6389500000e-01  7.3978900000e-01 -6.3690800000e-01  5.0751500000e-01 -5.0299900000e-01  1.4243280000e+00 -1.3717130000e+00 -2.9679700000e+00  1.8973400000e+00 -2.1414870000e+00 -3.2841020000e+00  1.9218880000e+00 -6.2797200000e-01 -3.3078430000e+00
+ENERGY -1.526525482389e+02
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+
+JOB 95
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0575700000e-01  3.0786700000e-01  5.6864400000e-01 -1.3017600000e-01  4.7327100000e-01 -8.2176700000e-01 -2.4396300000e-01 -2.6737990000e+00  1.4087000000e-02 -5.6823000000e-02 -1.7449960000e+00 -1.2205600000e-01 -3.1261700000e-01 -3.0367290000e+00 -8.6897600000e-01
+ENERGY -1.526598515736e+02
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+
+JOB 96
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0373000000e-02 -4.4832200000e-01  8.4547300000e-01  8.5842600000e-01 -2.1484200000e-01 -3.6493800000e-01  3.0515420000e+00  1.4058550000e+00  8.1226200000e-01  3.8029080000e+00  1.6022520000e+00  2.5270000000e-01  3.0916660000e+00  4.5864200000e-01  9.4420900000e-01
+ENERGY -1.526524877076e+02
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+
+JOB 97
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0863900000e-01 -8.3233000000e-02 -5.0537900000e-01 -8.9475000000e-02 -6.4281300000e-01  7.0357500000e-01  3.5661400000e-01 -1.5329510000e+00  2.0647370000e+00 -2.2547700000e-01 -1.1200540000e+00  2.7026380000e+00  2.2336900000e-01 -2.4723710000e+00  2.1911010000e+00
+ENERGY -1.526571381334e+02
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+
+JOB 98
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1218800000e-01  4.6258000000e-02 -6.3787200000e-01  1.5958700000e-01 -8.1301200000e-01  4.7934900000e-01 -4.4644700000e-01 -1.9319270000e+00  2.0440010000e+00 -1.1748980000e+00 -1.6711620000e+00  2.6075540000e+00 -2.8102800000e-01 -2.8464050000e+00  2.2733440000e+00
+ENERGY -1.526604850980e+02
+FORCES  8.6320000000e-04 -6.2241000000e-03  4.6376000000e-03 -2.0705000000e-03 -1.4926000000e-03  2.7498000000e-03  2.4923000000e-03  6.0438000000e-03 -7.4633000000e-03 -3.7529000000e-03  6.1070000000e-04  2.3086000000e-03  3.4163000000e-03 -3.1191000000e-03 -1.3786000000e-03 -9.4830000000e-04  4.1813000000e-03 -8.5410000000e-04
+
+JOB 99
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2487000000e-01 -4.6348400000e-01 -4.1949700000e-01 -8.0358000000e-02 -4.0966500000e-01  8.6136500000e-01 -1.3354800000e-01 -1.6303260000e+00  2.1063610000e+00 -7.7076600000e-01 -1.8138250000e+00  2.7966610000e+00 -2.6842800000e-01 -2.3269440000e+00  1.4638960000e+00
+ENERGY -1.526582701950e+02
+FORCES  1.6525000000e-03 -8.0885000000e-03  1.4061800000e-02 -2.9851000000e-03 -4.7280000000e-04  1.6073000000e-03  1.9320000000e-04  1.3685000000e-03 -9.0899000000e-03 -3.1440000000e-03  1.8713000000e-03 -4.9209000000e-03  3.0529000000e-03 -3.2070000000e-04 -4.2513000000e-03  1.2306000000e-03  5.6422000000e-03  2.5930000000e-03
+
+JOB 100
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3043300000e-01 -4.2370000000e-03 -4.7602100000e-01  1.0161500000e-01  6.9180800000e-01  6.5368800000e-01 -1.7140450000e+00  9.7372000000e-02 -2.1956130000e+00 -1.3382350000e+00  8.6014600000e-01 -2.6351300000e+00 -1.1836530000e+00 -1.0174000000e-02 -1.4060880000e+00
+ENERGY -1.526599295680e+02
+FORCES  7.0350000000e-04  3.0577000000e-03 -3.8250000000e-04 -5.6899000000e-03  1.3501000000e-03  1.4383000000e-03  9.7480000000e-04 -3.3694000000e-03 -3.7334000000e-03  7.9093000000e-03  2.0184000000e-03  1.0651100000e-02 -2.5720000000e-04 -2.2416000000e-03  1.4322000000e-03 -3.6405000000e-03 -8.1520000000e-04 -9.4058000000e-03
+
+JOB 101
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9249000000e-02 -9.5359500000e-01 -2.4670000000e-02 -8.3082600000e-01  3.1905600000e-01 -3.5236700000e-01 -2.2027200000e-01 -2.6220580000e+00 -2.0376100000e-01  4.1057100000e-01 -3.0326740000e+00 -7.9508500000e-01 -1.7805400000e-01 -3.1479370000e+00  5.9492600000e-01
+ENERGY -1.526600655081e+02
+FORCES -3.5902000000e-03 -1.8175900000e-02 -2.1274000000e-03  1.1835000000e-03  9.1557000000e-03  1.1785000000e-03  1.9459000000e-03 -1.7687000000e-03  7.4560000000e-04  3.2321000000e-03  6.8317000000e-03  9.0890000000e-04 -3.3655000000e-03  1.3876000000e-03  4.1505000000e-03  5.9420000000e-04  2.5695000000e-03 -4.8561000000e-03
+
+JOB 102
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4654700000e-01  4.7355900000e-01 -7.9447400000e-01  6.7378100000e-01  2.3466400000e-01  6.3811000000e-01 -1.8374740000e+00  1.3503370000e+00  1.4824890000e+00 -1.3600540000e+00  9.0211500000e-01  7.8435000000e-01 -1.2008120000e+00  1.4356240000e+00  2.1921510000e+00
+ENERGY -1.526573635923e+02
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+
+JOB 103
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2214800000e-01 -9.1675000000e-02  4.8156100000e-01 -2.2836000000e-02 -7.0252200000e-01 -6.4974900000e-01 -1.2875170000e+00 -3.2212930000e+00  8.1863800000e-01 -1.7577410000e+00 -2.4755130000e+00  4.4589900000e-01 -1.6486570000e+00 -3.9833520000e+00  3.6578600000e-01
+ENERGY -1.526526824980e+02
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+
+JOB 104
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+ENERGY -1.526615378687e+02
+FORCES  3.1289000000e-03  3.5406000000e-03  7.1150000000e-04 -4.8777000000e-03  1.9840000000e-04 -3.3099000000e-03  1.3680000000e-04 -2.9929000000e-03  3.3602000000e-03  2.2781000000e-03 -8.8520000000e-04 -9.8279000000e-03  3.0939000000e-03  2.2010000000e-04 -7.7150000000e-04 -3.7600000000e-03 -8.1000000000e-05  9.8375000000e-03
+
+JOB 105
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+ENERGY -1.526585333595e+02
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+
+JOB 106
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+ENERGY -1.526541459031e+02
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+
+JOB 107
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+ENERGY -1.526599363205e+02
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+
+JOB 108
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+ENERGY -1.526532921632e+02
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+
+JOB 109
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+ENERGY -1.526603292744e+02
+FORCES -7.8589000000e-03  6.2572000000e-03  6.1848000000e-03  5.3253000000e-03 -7.5750000000e-03 -6.0605000000e-03 -1.4321000000e-03  3.6914000000e-03  6.7000000000e-04  1.9640000000e-03  2.9954000000e-03 -3.3512000000e-03 -3.2038000000e-03 -3.9827000000e-03  2.8242000000e-03  5.2055000000e-03 -1.3862000000e-03 -2.6730000000e-04
+
+JOB 110
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+ENERGY -1.526573518561e+02
+FORCES -1.9839000000e-03  6.2525000000e-03 -3.1910000000e-04 -1.8631000000e-03 -6.2254000000e-03  4.4020000000e-04  2.9650000000e-03 -5.8870000000e-04 -1.4832000000e-03  3.5114000000e-03  2.4961000000e-03  4.0663000000e-03 -1.5460000000e-03 -3.7669000000e-03  1.0659000000e-03 -1.0833000000e-03  1.8324000000e-03 -3.7702000000e-03
+
+JOB 111
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+ENERGY -1.526549650555e+02
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+
+JOB 112
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+ENERGY -1.526580463239e+02
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+
+JOB 113
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+ENERGY -1.526574732049e+02
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+JOB 114
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+ENERGY -1.526608851022e+02
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+JOB 115
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+ENERGY -1.526594765718e+02
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+
+JOB 116
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+
+JOB 117
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+JOB 118
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+
+JOB 119
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+
+JOB 120
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+
+JOB 121
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+
+JOB 122
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+JOB 123
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+
+JOB 124
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+
+JOB 125
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+JOB 126
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+JOB 127
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+JOB 128
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+JOB 129
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+JOB 130
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+JOB 131
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+JOB 132
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+JOB 133
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+JOB 134
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+JOB 135
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+JOB 136
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+JOB 137
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+
+JOB 138
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+JOB 139
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+JOB 140
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+
+JOB 141
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+
+JOB 142
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+
+JOB 143
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+JOB 144
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+JOB 145
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+JOB 146
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+JOB 147
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+JOB 148
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+JOB 149
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+JOB 150
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+JOB 151
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+JOB 152
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+JOB 153
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+JOB 154
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+JOB 155
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+JOB 156
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+JOB 157
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+JOB 158
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+JOB 159
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+
+JOB 160
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+JOB 161
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+JOB 162
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+
+JOB 163
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+
+JOB 164
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+
+JOB 165
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+JOB 166
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+JOB 167
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+JOB 168
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+JOB 169
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+JOB 170
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+JOB 171
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+JOB 172
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+JOB 173
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+JOB 174
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+JOB 175
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+JOB 176
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+JOB 177
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+JOB 178
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+JOB 179
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+JOB 180
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+JOB 181
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+
+JOB 182
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3034300000e-01 -2.5178000000e-02 -2.2374100000e-01 -4.5117300000e-01 -7.6101000000e-02 -8.4076400000e-01  1.4388560000e+00  3.3868830000e+00  1.8307800000e-01  7.2471800000e-01  3.5024980000e+00 -4.4371700000e-01  2.2255890000e+00  3.3235720000e+00 -3.5847000000e-01
+ENERGY -1.526531896944e+02
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+
+JOB 183
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5475800000e-01 -6.1841000000e-02 -2.9059000000e-02  2.6407200000e-01 -6.6241200000e-01  6.3852000000e-01 -2.6737740000e+00 -1.2885000000e-02 -1.9479600000e-01 -2.9763420000e+00  8.7614500000e-01 -9.5630000000e-03 -3.0541610000e+00 -2.2303500000e-01 -1.0476590000e+00
+ENERGY -1.526609686325e+02
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+
+JOB 184
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3887600000e-01  1.0171000000e-01 -1.5620300000e-01 -1.0121400000e-01  1.2491200000e-01  9.4360200000e-01  1.0742150000e+00 -1.1207490000e+00 -2.7924790000e+00  3.0220900000e-01 -1.4487230000e+00 -3.2536430000e+00  1.8155900000e+00 -1.4692980000e+00 -3.2875650000e+00
+ENERGY -1.526552050238e+02
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+
+JOB 185
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+ENERGY -1.526557642503e+02
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+
+JOB 186
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4704700000e-01 -4.3243400000e-01  4.1370800000e-01 -1.1901600000e-01 -4.6609400000e-01 -8.2754000000e-01 -1.1720150000e+00  1.8202930000e+00  2.5571330000e+00 -2.2375200000e-01  1.7043370000e+00  2.4972790000e+00 -1.4966170000e+00  1.5971350000e+00  1.6847420000e+00
+ENERGY -1.526576031338e+02
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+
+JOB 187
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0912600000e-01 -2.0026000000e-01  6.1095700000e-01 -3.1078000000e-02  9.5632900000e-01 -2.6455000000e-02 -1.4419740000e+00  1.1561140000e+00 -2.8934000000e+00 -1.7593390000e+00  2.0590630000e+00 -2.8794410000e+00 -1.9252970000e+00  7.2097400000e-01 -2.1910580000e+00
+ENERGY -1.526551086882e+02
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+
+JOB 188
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4295200000e-01  6.3844000000e-02  6.0014900000e-01  2.5876600000e-01 -6.7096500000e-01 -6.3172600000e-01  3.0502260000e+00 -1.2757700000e+00 -5.6879000000e-01  3.8967040000e+00 -1.6944840000e+00 -4.1262700000e-01  3.1760140000e+00 -3.6880700000e-01 -2.8981400000e-01
+ENERGY -1.526567385590e+02
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+
+JOB 189
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0842400000e-01  9.4561500000e-01  1.0143400000e-01  2.1251000000e-01 -3.1288200000e-01  8.7930400000e-01 -2.8641900000e-01  2.7429180000e+00  2.1000600000e-01 -1.0698030000e+00  3.1142210000e+00 -1.9579600000e-01 -1.8230100000e-01  3.2343860000e+00  1.0247760000e+00
+ENERGY -1.526607331349e+02
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+
+JOB 190
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1504700000e-01 -8.5174200000e-01  3.0251200000e-01 -5.6617000000e-01  6.3495500000e-01  4.3876500000e-01  1.2492230000e+00  1.4541120000e+00 -2.8914530000e+00  1.9794170000e+00  1.8944660000e+00 -2.4565540000e+00  4.6891900000e-01  1.7930840000e+00 -2.4527550000e+00
+ENERGY -1.526538546607e+02
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+
+JOB 191
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+ENERGY -1.526522627654e+02
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+
+JOB 192
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+
+JOB 193
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+ENERGY -1.526559728707e+02
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+
+JOB 194
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+ENERGY -1.526552124726e+02
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+
+JOB 195
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+
+JOB 196
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+ENERGY -1.526560147911e+02
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+
+JOB 197
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+ENERGY -1.526597206462e+02
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+JOB 198
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+ENERGY -1.526549700556e+02
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+
+JOB 199
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+ENERGY -1.526599497048e+02
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+JOB 200
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+ENERGY -1.526599385992e+02
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+JOB 201
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+ENERGY -1.526594516325e+02
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+JOB 202
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+JOB 203
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+ENERGY -1.526545174016e+02
+FORCES  3.7590000000e-04 -4.3533000000e-03 -4.8728000000e-03 -2.0165000000e-03  2.3513000000e-03  4.3192000000e-03  5.7270000000e-04  3.5869000000e-03 -8.7640000000e-04  2.6955000000e-03  5.4078000000e-03  3.6763000000e-03 -3.1281000000e-03 -2.0024000000e-03 -1.7584000000e-03  1.5006000000e-03 -4.9904000000e-03 -4.8780000000e-04
+
+JOB 204
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4336600000e-01 -1.6055200000e-01  2.2715000000e-02 -2.9446300000e-01 -1.7289200000e-01  8.9422100000e-01  1.5472260000e+00 -1.1867210000e+00  2.7463150000e+00  1.4050550000e+00 -2.5751000000e-01  2.9268270000e+00  1.4332860000e+00 -1.6160820000e+00  3.5941940000e+00
+ENERGY -1.526565704451e+02
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+
+JOB 205
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6998200000e-01  7.0335100000e-01 -5.9045600000e-01 -9.4545100000e-01  1.1575500000e-01  9.4635000000e-02  1.8541680000e+00 -1.4919220000e+00 -1.8017670000e+00  2.7658920000e+00 -1.2360630000e+00 -1.6620260000e+00  1.4170240000e+00 -1.2828860000e+00 -9.7627300000e-01
+ENERGY -1.526602291495e+02
+FORCES -4.4106000000e-03  3.0564000000e-03 -2.9668000000e-03 -6.9750000000e-04 -3.7099000000e-03  3.6559000000e-03  4.0836000000e-03  7.7500000000e-04 -5.9980000000e-04 -1.8254000000e-03  1.2188000000e-03  6.4666000000e-03 -3.7946000000e-03  1.8210000000e-04 -2.5800000000e-04  6.6445000000e-03 -1.5224000000e-03 -6.2979000000e-03
+
+JOB 206
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0592000000e-01  8.4664400000e-01 -3.9626000000e-01 -4.6707400000e-01 -6.3762600000e-01 -5.3991400000e-01  1.4086420000e+00 -2.7941270000e+00 -5.3931300000e-01  6.6240600000e-01 -2.6752060000e+00  4.8241000000e-02  1.1751760000e+00 -3.5536120000e+00 -1.0730810000e+00
+ENERGY -1.526533603098e+02
+FORCES -8.2330000000e-04  1.1390000000e-03 -5.5602000000e-03  8.0420000000e-04 -3.4827000000e-03  1.4884000000e-03  4.8210000000e-04  1.2629000000e-03  4.3628000000e-03 -2.4529000000e-03 -2.0555000000e-03  2.4265000000e-03  1.4540000000e-03 -1.0035000000e-03 -4.5984000000e-03  5.3590000000e-04  4.1398000000e-03  1.8809000000e-03
+
+JOB 207
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4398000000e-01  2.9569000000e-02  6.0154000000e-01  1.4400100000e-01  7.3495200000e-01 -5.9610500000e-01 -9.7310000000e-02  1.7106460000e+00 -2.1904330000e+00 -5.8444600000e-01  1.2013180000e+00 -2.8381330000e+00  8.1423300000e-01  1.6543190000e+00 -2.4770480000e+00
+ENERGY -1.526597223489e+02
+FORCES -4.5090000000e-04  8.5418000000e-03 -7.3354000000e-03 -1.6139000000e-03  1.3710000000e-03 -3.7876000000e-03  4.4494000000e-03 -6.9030000000e-03  7.9588000000e-03 -1.1861000000e-03 -5.2451000000e-03 -3.4908000000e-03  3.3127000000e-03  3.3217000000e-03  2.3873000000e-03 -4.5111000000e-03 -1.0864000000e-03  4.2677000000e-03
+
+JOB 208
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7363700000e-01 -7.1976000000e-02 -5.5905000000e-01 -7.3941900000e-01 -5.2274000000e-02 -6.0560600000e-01 -1.5709450000e+00 -4.0764700000e-01 -2.1509420000e+00 -1.1247150000e+00 -1.1620880000e+00 -2.5355580000e+00 -1.4322600000e+00  2.9985500000e-01 -2.7805760000e+00
+ENERGY -1.526581109978e+02
+FORCES -8.9593000000e-03 -2.3856000000e-03 -1.5346200000e-02 -1.6452000000e-03 -1.9710000000e-04  9.5660000000e-04  4.8079000000e-03  1.7302000000e-03  7.2370000000e-03  6.1663000000e-03 -6.6100000000e-05  1.5743000000e-03 -1.1579000000e-03  5.1327000000e-03  1.8303000000e-03  7.8830000000e-04 -4.2141000000e-03  3.7480000000e-03
+
+JOB 209
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1774200000e-01 -6.8220600000e-01 -5.2565900000e-01  5.1883100000e-01  3.5213000000e-02  8.0362100000e-01  1.5660420000e+00  2.0457010000e+00 -1.5437490000e+00  1.6766290000e+00  2.9938640000e+00 -1.4731220000e+00  7.7147800000e-01  1.8588550000e+00 -1.0437610000e+00
+ENERGY -1.526601903626e+02
+FORCES  5.4520000000e-03 -4.9030000000e-03  6.0010000000e-04 -2.5086000000e-03  2.6741000000e-03  3.1045000000e-03 -2.6206000000e-03  5.3800000000e-04 -3.6217000000e-03 -5.1967000000e-03 -5.1570000000e-04  3.1150000000e-03 -1.0452000000e-03 -3.7893000000e-03  8.4940000000e-04  5.9192000000e-03  5.9959000000e-03 -4.0473000000e-03
+
+JOB 210
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9417300000e-01  1.7872700000e-01  8.5376600000e-01  9.4078700000e-01  1.0220600000e-01  1.4389200000e-01  2.5335950000e+00  5.0761100000e-01  2.1498800000e-01  2.9940850000e+00  5.1656800000e-01  1.0540940000e+00  2.8791350000e+00  1.2655950000e+00 -2.5649300000e-01
+ENERGY -1.526577785425e+02
+FORCES  1.9435700000e-02  4.4856000000e-03  3.1103000000e-03  2.8119000000e-03 -2.5200000000e-04 -1.5430000000e-03 -7.8391000000e-03 -2.3076000000e-03  5.8000000000e-05 -1.1491900000e-02  7.4590000000e-04 -1.2025000000e-03 -2.7928000000e-03  1.2127000000e-03 -4.4129000000e-03 -1.2390000000e-04 -3.8845000000e-03  3.9900000000e-03
+
+JOB 211
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4853300000e-01 -7.6503600000e-01  5.1882900000e-01  9.4471800000e-01  8.1877000000e-02  1.3051900000e-01 -1.8014710000e+00 -1.7393080000e+00  1.2941050000e+00 -2.5234130000e+00 -1.1921590000e+00  9.8481500000e-01 -1.5860490000e+00 -1.3868130000e+00  2.1575700000e+00
+ENERGY -1.526597407658e+02
+FORCES -3.4758000000e-03 -7.7412000000e-03  3.1767000000e-03  6.9630000000e-03  8.0664000000e-03 -1.1780000000e-03 -3.9317000000e-03 -1.7034000000e-03  1.1971000000e-03 -4.6970000000e-03  5.7330000000e-03  1.8340000000e-04  3.4145000000e-03 -3.2973000000e-03  2.4996000000e-03  1.7271000000e-03 -1.0576000000e-03 -5.8789000000e-03
+
+JOB 212
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0868700000e-01 -6.0874000000e-01  5.3563500000e-01 -3.9274500000e-01 -6.0673000000e-02 -8.7080600000e-01 -1.5709780000e+00 -1.4318400000e-01 -2.3883470000e+00 -2.3443730000e+00  1.4014100000e-01 -1.9006800000e+00 -1.4770930000e+00  5.0454300000e-01 -3.0868220000e+00
+ENERGY -1.526606788452e+02
+FORCES -5.7823000000e-03 -3.6215000000e-03 -9.2681000000e-03  4.9760000000e-04  2.4369000000e-03 -1.8854000000e-03  3.5300000000e-03  1.8059000000e-03  9.7714000000e-03 -2.5762000000e-03  4.1143000000e-03 -1.1349000000e-03  5.4088000000e-03 -1.7106000000e-03 -1.3909000000e-03 -1.0779000000e-03 -3.0250000000e-03  3.9079000000e-03
+
+JOB 213
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4052800000e-01 -1.9004900000e-01 -4.1668500000e-01  2.0808300000e-01  6.4318000000e-01  6.7768200000e-01  1.7052000000e-01  1.8561780000e+00  2.0796460000e+00 -6.4731500000e-01  1.5633250000e+00  2.4816590000e+00  8.4433000000e-01  1.6467810000e+00  2.7264570000e+00
+ENERGY -1.526610370871e+02
+FORCES  3.4652000000e-03  9.3599000000e-03  7.5746000000e-03 -1.8738000000e-03  1.2463000000e-03  2.4868000000e-03 -1.5607000000e-03 -9.1743000000e-03 -6.7517000000e-03 -2.0017000000e-03 -2.3354000000e-03  3.4914000000e-03  5.4730000000e-03  7.2210000000e-04 -2.7195000000e-03 -3.5019000000e-03  1.8140000000e-04 -4.0816000000e-03
+
+JOB 214
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2781100000e-01 -3.4087300000e-01  3.3877300000e-01 -1.2975100000e-01 -4.6349000000e-01 -8.2738900000e-01  2.1258000000e-02 -1.6814890000e+00 -2.0991320000e+00  7.4699500000e-01 -1.8266300000e+00 -2.7061500000e+00  7.0160000000e-02 -2.4155150000e+00 -1.4867230000e+00
+ENERGY -1.526579156517e+02
+FORCES  3.1728000000e-03 -8.9981000000e-03 -1.3906300000e-02 -2.2992000000e-03 -1.7690000000e-04 -7.1780000000e-04 -1.9445000000e-03  1.7445000000e-03  8.5476000000e-03  3.2615000000e-03  2.0988000000e-03  4.1786000000e-03 -3.3030000000e-03 -7.3910000000e-04  4.0634000000e-03  1.1124000000e-03  6.0708000000e-03 -2.1655000000e-03
+
+JOB 215
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3785200000e-01 -5.6500800000e-01 -7.3513500000e-01 -5.7327400000e-01 -2.8035300000e-01  7.1343600000e-01 -6.2551200000e-01  2.9393310000e+00  1.2266930000e+00 -5.4190000000e-02  2.2716320000e+00  1.6061680000e+00 -1.7162000000e-01  3.2201680000e+00  4.3212200000e-01
+ENERGY -1.526559300753e+02
+FORCES -4.9105000000e-03 -3.1211000000e-03 -7.1830000000e-04  8.5790000000e-04  2.3196000000e-03  3.0150000000e-03  3.6701000000e-03  1.0738000000e-03 -2.2334000000e-03  5.3805000000e-03 -4.2435000000e-03 -4.6087000000e-03 -3.0859000000e-03  2.8191000000e-03  1.1929000000e-03 -1.9121000000e-03  1.1521000000e-03  3.3524000000e-03
+
+JOB 216
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+ENERGY -1.526527074362e+02
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+
+JOB 217
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+ENERGY -1.526536376649e+02
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+
+JOB 218
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+ENERGY -1.526588738052e+02
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+
+JOB 219
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+ENERGY -1.526533042046e+02
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+
+JOB 220
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+ENERGY -1.526522568059e+02
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+
+JOB 221
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+ENERGY -1.526608407288e+02
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+
+JOB 222
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+ENERGY -1.526589785280e+02
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+
+JOB 223
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+ENERGY -1.526597620259e+02
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+
+JOB 224
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+ENERGY -1.526516584780e+02
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+JOB 225
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+
+JOB 226
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+
+JOB 227
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+JOB 228
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+JOB 229
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+JOB 230
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+
+JOB 231
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+JOB 232
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+JOB 233
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+JOB 234
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+JOB 235
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+JOB 236
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+JOB 237
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+JOB 238
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+JOB 239
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+JOB 240
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+JOB 241
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+JOB 242
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+JOB 243
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+JOB 244
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+JOB 245
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+JOB 246
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+JOB 247
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+
+JOB 248
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+
+JOB 249
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+
+JOB 250
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+
+JOB 251
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+
+JOB 252
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+
+JOB 253
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5375600000e-01  9.3960700000e-01  9.8635000000e-02 -7.1926100000e-01 -1.9001100000e-01  6.0232200000e-01  1.7259200000e-01 -1.3900690000e+00 -2.2834310000e+00  1.3217600000e-01 -2.1399200000e+00 -1.6898630000e+00  2.7532000000e-02 -6.2994200000e-01 -1.7200510000e+00
+ENERGY -1.526577612973e+02
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+
+JOB 254
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+
+JOB 255
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+
+JOB 256
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+ENERGY -1.526602693955e+02
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+
+JOB 257
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+
+JOB 258
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+
+JOB 259
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+
+JOB 260
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+
+JOB 261
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+
+JOB 262
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+JOB 263
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+JOB 264
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+JOB 265
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+JOB 266
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+JOB 267
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+JOB 268
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+JOB 269
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+JOB 270
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+JOB 271
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+JOB 272
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+JOB 273
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+JOB 274
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+JOB 275
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+JOB 276
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+JOB 277
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+JOB 278
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+JOB 279
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+JOB 280
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+JOB 281
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+JOB 282
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+JOB 283
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+JOB 284
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+JOB 285
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+JOB 286
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+JOB 287
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+JOB 288
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+JOB 289
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+JOB 290
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+JOB 291
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+
+JOB 292
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+
+JOB 293
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+ENERGY -1.526534443357e+02
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+
+JOB 294
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+
+JOB 295
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+
+JOB 296
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+ENERGY -1.526539701126e+02
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+
+JOB 297
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+
+JOB 298
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+
+JOB 299
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+
+JOB 300
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+JOB 301
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+JOB 302
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+JOB 303
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+JOB 304
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+JOB 305
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+JOB 306
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+JOB 307
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+JOB 308
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+JOB 309
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+ENERGY -1.526544497984e+02
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+JOB 310
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+ENERGY -1.526535674726e+02
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+JOB 311
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+JOB 312
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+JOB 313
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+JOB 314
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+JOB 315
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+JOB 316
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+JOB 317
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+JOB 318
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+JOB 319
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+JOB 320
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+JOB 321
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+JOB 322
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+JOB 323
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+JOB 324
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+JOB 325
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+JOB 326
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+JOB 327
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+JOB 328
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+JOB 329
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+JOB 330
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+JOB 331
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+JOB 332
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+JOB 336
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+JOB 337
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+JOB 338
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+JOB 339
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+JOB 340
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+JOB 341
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+JOB 342
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+JOB 343
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+JOB 344
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+JOB 345
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+JOB 346
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+JOB 347
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+JOB 348
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+JOB 349
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+JOB 350
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+JOB 358
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+
+JOB 359
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+JOB 360
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+JOB 361
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+JOB 362
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+
+JOB 363
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+
+JOB 364
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+JOB 365
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+JOB 366
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+JOB 367
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+JOB 368
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+JOB 369
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+JOB 370
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+JOB 371
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+JOB 372
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+JOB 373
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+JOB 374
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+JOB 375
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+JOB 376
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+JOB 377
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+JOB 378
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+JOB 379
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+JOB 380
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+JOB 381
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+JOB 382
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+JOB 383
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+JOB 384
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+JOB 385
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+JOB 386
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+JOB 387
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+JOB 388
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+JOB 389
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+JOB 390
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+JOB 391
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+JOB 392
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+JOB 393
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+JOB 394
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+JOB 395
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+JOB 396
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+JOB 397
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+JOB 398
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+JOB 399
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+JOB 402
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+JOB 403
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+JOB 404
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+JOB 405
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+JOB 406
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+JOB 407
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+JOB 408
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+JOB 409
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+JOB 410
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+JOB 411
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+JOB 412
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+JOB 413
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+JOB 414
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+JOB 415
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+JOB 416
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+JOB 417
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+JOB 419
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+JOB 420
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+JOB 421
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+JOB 422
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+JOB 424
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+JOB 425
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+JOB 426
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+JOB 427
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+JOB 428
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+JOB 429
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+JOB 430
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+JOB 431
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+JOB 432
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+JOB 433
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+JOB 434
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+JOB 435
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+JOB 436
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+JOB 437
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+JOB 438
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+JOB 439
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+JOB 440
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+JOB 441
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+JOB 490
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+JOB 491
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+JOB 492
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+JOB 493
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+JOB 494
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+JOB 495
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+JOB 496
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+JOB 497
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+JOB 498
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+JOB 499
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+JOB 500
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+JOB 501
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+JOB 502
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+JOB 503
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+JOB 504
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+JOB 505
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+JOB 506
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+JOB 507
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+JOB 508
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+JOB 510
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+JOB 512
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+JOB 513
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+JOB 514
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+JOB 515
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+JOB 516
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+JOB 517
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+JOB 518
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+JOB 519
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+JOB 520
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+JOB 521
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+JOB 522
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+JOB 523
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+JOB 524
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+JOB 525
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+JOB 526
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+JOB 527
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+JOB 528
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+JOB 529
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+JOB 530
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+JOB 531
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+JOB 532
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+JOB 533
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+JOB 578
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+JOB 579
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+JOB 580
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+
+JOB 581
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+JOB 582
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+JOB 583
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+JOB 584
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+JOB 585
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+JOB 586
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+JOB 587
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+JOB 588
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+JOB 589
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+JOB 590
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+JOB 591
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+JOB 592
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+JOB 593
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+JOB 594
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+JOB 595
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+JOB 596
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+JOB 597
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+JOB 598
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+JOB 599
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7123700000e-01  7.2962000000e-01  5.9545400000e-01 -3.9502600000e-01  2.6923200000e-01 -8.2927700000e-01  8.7277500000e-01 -2.4101020000e+00 -4.6003200000e-01  5.7211600000e-01 -1.5042950000e+00 -3.8688900000e-01  1.5494000000e+00 -2.3844850000e+00 -1.1366080000e+00
+ENERGY -1.526563639747e+02
+FORCES  3.3354000000e-03 -8.6691000000e-03  1.6584000000e-03 -5.7300000000e-04 -1.9148000000e-03 -5.0161000000e-03  3.6660000000e-03 -2.8458000000e-03  4.4183000000e-03 -3.2569000000e-03  1.5446900000e-02  4.7675000000e-03 -3.3010000000e-04 -3.9716000000e-03 -7.3975000000e-03 -2.8413000000e-03  1.9543000000e-03  1.5695000000e-03
+
+JOB 0
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2625800000e-01 -5.2050000000e-01  6.0693000000e-01 -6.1224600000e-01 -6.2688300000e-01 -3.8523200000e-01  1.6704610000e+00  1.5079980000e+00  1.8169620000e+00  2.2013230000e+00  7.4715100000e-01  1.5813170000e+00  1.0658070000e+00  1.1816380000e+00  2.4833810000e+00
+ENERGY -1.526494429324e+02
+FORCES  1.3934000000e-03 -2.8734000000e-03  1.8201000000e-03 -6.3620000000e-04  1.5602000000e-03 -1.2460000000e-03  2.8740000000e-03  3.8038000000e-03  2.3884000000e-03 -3.1786000000e-03 -3.7252000000e-03 -1.3610000000e-03 -3.7809000000e-03  1.1080000000e-03  9.8140000000e-04  3.3282000000e-03  1.2650000000e-04 -2.5829000000e-03
+
+JOB 1
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8771400000e-01 -5.4346900000e-01  5.2484900000e-01 -5.2526900000e-01 -6.2632400000e-01 -4.9803900000e-01  1.7741900000e-01 -3.4316190000e+00  1.1912700000e-01 -4.6148900000e-01 -2.9662570000e+00  6.5900400000e-01  6.8795200000e-01 -2.7385920000e+00 -2.9956200000e-01
+ENERGY -1.526526722257e+02
+FORCES -1.6580000000e-04 -3.1603000000e-03  1.5820000000e-04 -3.1021000000e-03  5.7480000000e-04 -3.6472000000e-03  3.4821000000e-03  1.6819000000e-03  3.2397000000e-03 -4.2450000000e-04  3.1548000000e-03  6.6880000000e-04  3.5144000000e-03 -9.7480000000e-04 -3.3997000000e-03 -3.3039000000e-03 -1.2764000000e-03  2.9803000000e-03
+
+JOB 2
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7626100000e-01 -7.0352600000e-01  5.2887700000e-01 -5.0392400000e-01 -4.5182400000e-01 -6.7686600000e-01 -3.3103870000e+00 -5.5773000000e-02 -2.1796900000e-01 -2.8303740000e+00 -7.2549400000e-01  2.6915900000e-01 -3.8110540000e+00 -5.4595600000e-01 -8.7010700000e-01
+ENERGY -1.526536281132e+02
+FORCES -4.3520000000e-04 -2.7940000000e-03 -2.2359000000e-03 -2.9465000000e-03  2.7808000000e-03 -1.9838000000e-03  2.9080000000e-03 -7.8600000000e-05  3.8949000000e-03 -8.1470000000e-04 -3.5121000000e-03  1.5548000000e-03 -2.0575000000e-03  1.5222000000e-03 -3.7170000000e-03  3.3459000000e-03  2.0817000000e-03  2.4870000000e-03
+
+JOB 3
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0044400000e-01 -6.7711800000e-01 -5.4533200000e-01 -6.4652000000e-01  4.1610900000e-01 -5.7017300000e-01 -1.5548750000e+00 -1.3093200000e+00  1.8870070000e+00 -1.0607200000e+00 -9.4011100000e-01  1.1550730000e+00 -2.2009670000e+00 -1.8831050000e+00  1.4752200000e+00
+ENERGY -1.526594757589e+02
+FORCES -1.9330000000e-04  2.3090000000e-04 -2.7189000000e-03 -4.2951000000e-03  2.8485000000e-03  3.6428000000e-03  2.5891000000e-03 -4.3802000000e-03  3.7705000000e-03  7.0548000000e-03  5.6497000000e-03 -9.3449000000e-03 -8.0748000000e-03 -6.9436000000e-03  5.1235000000e-03  2.9193000000e-03  2.5947000000e-03 -4.7300000000e-04
+
+JOB 4
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4060700000e-01 -4.2879500000e-01  5.6744100000e-01  4.0490800000e-01  6.6603600000e-01  5.5558800000e-01  1.6523840000e+00 -1.5884620000e+00 -1.6278930000e+00  1.1159060000e+00 -9.1934400000e-01 -1.2028000000e+00  2.0723380000e+00 -1.1319270000e+00 -2.3568970000e+00
+ENERGY -1.526614303728e+02
+FORCES  3.8140000000e-04 -2.5967000000e-03  3.2282000000e-03  2.9873000000e-03  3.5055000000e-03 -1.5601000000e-03 -2.3050000000e-03 -3.2590000000e-03 -2.5233000000e-03 -6.3292000000e-03  7.1604000000e-03  4.5865000000e-03  6.9528000000e-03 -4.6601000000e-03 -6.8054000000e-03 -1.6872000000e-03 -1.5010000000e-04  3.0740000000e-03
+
+JOB 5
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8607200000e-01  4.2097800000e-01  5.1799000000e-01  3.3582900000e-01 -6.9495000000e-01  5.6612300000e-01 -3.1706960000e+00  3.5894000000e-02 -1.7185000000e-02 -2.7965730000e+00 -8.1760400000e-01  2.0145700000e-01 -3.8454850000e+00 -1.5745600000e-01 -6.6795900000e-01
+ENERGY -1.526560381458e+02
+FORCES -2.4577000000e-03  1.8051000000e-03  3.5342000000e-03  5.2116000000e-03 -3.8033000000e-03 -5.7620000000e-04 -2.7862000000e-03  2.0961000000e-03 -2.5818000000e-03 -7.8160000000e-04 -4.5238000000e-03 -4.4494000000e-03 -1.6222000000e-03  4.2009000000e-03  1.1529000000e-03  2.4360000000e-03  2.2510000000e-04  2.9203000000e-03
+
+JOB 6
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0703000000e-01 -6.0309600000e-01  5.4353300000e-01 -4.4478300000e-01 -5.6358400000e-01 -6.3306600000e-01 -1.8205000000e+00 -1.7460100000e+00 -1.7469380000e+00 -1.2835450000e+00 -2.1950180000e+00 -2.3998560000e+00 -2.2917420000e+00 -1.0766130000e+00 -2.2429940000e+00
+ENERGY -1.526607432130e+02
+FORCES -3.9641000000e-03 -7.5257000000e-03 -2.2373000000e-03 -1.3110000000e-03  1.8176000000e-03 -2.0701000000e-03  6.9868000000e-03  6.6894000000e-03  3.7682000000e-03 -3.4665000000e-03 -7.8230000000e-04 -6.0396000000e-03 -1.7547000000e-03  3.1266000000e-03  4.0334000000e-03  3.5095000000e-03 -3.3257000000e-03  2.5455000000e-03
+
+JOB 7
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7764000000e-01 -7.3934500000e-01 -3.7611300000e-01  6.6252700000e-01  4.9197900000e-01  4.8502200000e-01  1.6143670000e+00  1.5430230000e+00  1.4249760000e+00  1.7986540000e+00  7.7570700000e-01  1.9667280000e+00  2.4729300000e+00  1.8271670000e+00  1.1113450000e+00
+ENERGY -1.526561687448e+02
+FORCES  1.1084800000e-02  1.1230700000e-02  6.5901000000e-03  5.0570000000e-04  3.2874000000e-03  2.7340000000e-03 -3.3581000000e-03 -1.0814500000e-02  4.0930000000e-04 -6.2880000000e-04 -3.0349000000e-03 -3.4063000000e-03 -3.1323000000e-03  2.1511000000e-03 -8.4914000000e-03 -4.4712000000e-03 -2.8199000000e-03  2.1644000000e-03
+
+JOB 8
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1293900000e-01  8.0280300000e-01  4.7581100000e-01  4.8535900000e-01 -5.3142700000e-01  6.3106600000e-01  1.6153180000e+00 -1.6420960000e+00 -1.5142930000e+00  1.1506050000e+00 -1.0690140000e+00 -2.1240880000e+00  2.2567720000e+00 -1.0718530000e+00 -1.0905120000e+00
+ENERGY -1.526543721973e+02
+FORCES  2.2270000000e-03 -4.9032000000e-03  3.0598000000e-03  2.2881000000e-03 -3.8492000000e-03 -3.0982000000e-03 -1.2549000000e-03  4.8049000000e-03 -1.0005000000e-03 -5.4987000000e-03  1.0808200000e-02  1.5151000000e-03  3.5420000000e-03 -3.6297000000e-03 -8.8170000000e-04 -1.3035000000e-03 -3.2311000000e-03  4.0540000000e-04
+
+JOB 9
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8263500000e-01  4.8799700000e-01 -4.6054300000e-01  4.6504200000e-01  6.6227000000e-01  5.1124000000e-01 -1.8003110000e+00  1.6242830000e+00  1.5341310000e+00 -2.5090910000e+00  2.0050440000e+00  2.0526720000e+00 -1.2339860000e+00  1.1986030000e+00  2.1777950000e+00
+ENERGY -1.526562287046e+02
+FORCES -5.7583000000e-03  8.3113000000e-03  1.1045000000e-03  4.2066000000e-03 -3.4647000000e-03 -1.3641000000e-03 -8.8270000000e-04 -3.5810000000e-03  6.7580000000e-04  3.8050000000e-04 -2.9955000000e-03  4.2165000000e-03  3.1956000000e-03 -2.4836000000e-03 -2.2730000000e-03 -1.1418000000e-03  4.2135000000e-03 -2.3597000000e-03
+
+JOB 10
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0463700000e-01 -7.2758400000e-01  4.7235900000e-01 -7.4524900000e-01 -3.9343200000e-01 -4.5392500000e-01 -3.4405220000e+00 -4.6030000000e-02 -7.6286000000e-02 -2.8492460000e+00 -5.4916300000e-01  4.8360900000e-01 -4.0137150000e+00 -7.0289500000e-01 -4.7152100000e-01
+ENERGY -1.526544120941e+02
+FORCES -7.6390000000e-04 -3.0690000000e-03 -1.9329000000e-03 -2.8267000000e-03  2.9847000000e-03 -1.6876000000e-03  3.8298000000e-03 -3.0350000000e-04  4.4125000000e-03 -2.1473000000e-03 -3.4746000000e-03  2.5946000000e-03 -1.3970000000e-03  1.0365000000e-03 -5.0153000000e-03  3.3051000000e-03  2.8259000000e-03  1.6287000000e-03
+
+JOB 11
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8822700000e-01 -6.3168800000e-01 -4.1375300000e-01  5.6751600000e-01  5.1859400000e-01  5.7027800000e-01 -1.4333240000e+00 -1.7634200000e+00 -1.5926230000e+00 -1.9571770000e+00 -1.0606890000e+00 -1.2079430000e+00 -2.0421040000e+00 -2.2311900000e+00 -2.1642960000e+00
+ENERGY -1.526585748526e+02
+FORCES  3.8465000000e-03 -3.5665000000e-03 -1.8045000000e-03  1.2600000000e-05  4.9479000000e-03  3.8058000000e-03 -1.9776000000e-03 -2.5966000000e-03 -2.5876000000e-03 -3.4481000000e-03  3.8981000000e-03  1.9673000000e-03 -5.6270000000e-04 -5.1207000000e-03 -4.0095000000e-03  2.1293000000e-03  2.4378000000e-03  2.6285000000e-03
+
+JOB 12
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7723700000e-01  4.2029000000e-01 -5.3003600000e-01 -4.6361300000e-01 -3.1514200000e-01  7.7587400000e-01  1.2813070000e+00 -1.6230840000e+00 -1.5203150000e+00  9.6920400000e-01 -1.1059660000e+00 -7.7774300000e-01  1.8714200000e+00 -1.0347560000e+00 -1.9913460000e+00
+ENERGY -1.526569975421e+02
+FORCES  2.7002000000e-03 -8.6357000000e-03 -1.1187000000e-02  2.6027000000e-03 -1.1096000000e-03  4.5233000000e-03  2.1074000000e-03  9.2660000000e-04 -5.1785000000e-03 -9.1975000000e-03  1.5099100000e-02  1.3074600000e-02  4.4754000000e-03 -5.8416000000e-03 -2.5737000000e-03 -2.6882000000e-03 -4.3890000000e-04  1.3412000000e-03
+
+JOB 13
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9862400000e-01  5.7822700000e-01 -5.7728700000e-01  6.4802100000e-01  5.7204300000e-01  4.1117900000e-01  1.6850990000e+00  1.5451320000e+00 -1.4921180000e+00  2.0748140000e+00  2.2790060000e+00 -1.9672840000e+00  1.1813220000e+00  1.0712080000e+00 -2.1538100000e+00
+ENERGY -1.526555781850e+02
+FORCES  7.0135000000e-03  1.0475900000e-02 -3.2494000000e-03  5.7550000000e-04 -3.4550000000e-03 -9.7520000000e-04 -3.6605000000e-03 -3.6335000000e-03  2.4013000000e-03 -1.8481000000e-03 -4.1625000000e-03 -3.0349000000e-03 -2.6958000000e-03 -3.7717000000e-03  2.4974000000e-03  6.1540000000e-04  4.5468000000e-03  2.3608000000e-03
+
+JOB 14
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6663500000e-01  4.8981200000e-01  6.7717700000e-01  5.0232800000e-01  6.6347100000e-01 -4.7297500000e-01 -3.4955930000e+00  3.4930000000e-02  4.7368000000e-02 -2.8113420000e+00  6.2219600000e-01 -2.7380500000e-01 -3.7516780000e+00 -4.7731300000e-01 -7.1961200000e-01
+ENERGY -1.526549517389e+02
+FORCES  1.8684000000e-03  3.3556000000e-03  2.8634000000e-03  1.4582000000e-03 -9.5770000000e-04 -4.7914000000e-03 -3.2115000000e-03 -2.8068000000e-03  1.6815000000e-03  3.0900000000e-03 -1.5177000000e-03 -5.8014000000e-03 -3.2149000000e-03 -4.5330000000e-04  3.0366000000e-03  9.8000000000e-06  2.3798000000e-03  3.0112000000e-03
+
+JOB 15
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9098800000e-01  4.0235000000e-01 -6.3645900000e-01  6.3894200000e-01 -4.7416700000e-01 -5.3211900000e-01 -1.8390910000e+00 -1.5175690000e+00 -1.8311260000e+00 -1.1133240000e+00 -1.3252950000e+00 -2.4248640000e+00 -2.4149040000e+00 -2.0931590000e+00 -2.3344800000e+00
+ENERGY -1.526524852569e+02
+FORCES -3.9441000000e-03 -3.3870000000e-03 -5.1696000000e-03  4.8474000000e-03  3.0000000000e-04  1.5460000000e-03 -1.9839000000e-03  2.2569000000e-03  9.1170000000e-04  3.6790000000e-04 -2.6801000000e-03 -3.7706000000e-03 -2.2891000000e-03  1.0496000000e-03  3.7585000000e-03  3.0017000000e-03  2.4606000000e-03  2.7240000000e-03
+
+JOB 16
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5841900000e-01 -5.6850400000e-01 -5.3028600000e-01 -2.5882600000e-01  7.0424800000e-01 -5.9437000000e-01  1.6741210000e+00 -1.4561140000e+00 -1.6104830000e+00  2.3368750000e+00 -1.9907370000e+00 -1.1732560000e+00  2.1750400000e+00 -8.6583900000e-01 -2.1734100000e+00
+ENERGY -1.526602350934e+02
+FORCES  8.0095000000e-03 -7.1891000000e-03 -1.0666300000e-02 -5.6296000000e-03  5.6157000000e-03  6.4188000000e-03  1.6569000000e-03 -1.9379000000e-03  9.9410000000e-04  1.6682000000e-03  2.9968000000e-03  2.6564000000e-03 -3.0724000000e-03  3.4528000000e-03 -2.6814000000e-03 -2.6325000000e-03 -2.9383000000e-03  3.2784000000e-03
+
+JOB 17
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2887800000e-01  5.8702400000e-01 -5.4029900000e-01 -5.0434900000e-01 -5.1590900000e-01 -6.2904800000e-01  1.6233890000e+00  1.5991710000e+00  1.4557120000e+00  1.2246310000e+00  2.4449080000e+00  1.2508840000e+00  9.7499000000e-01  1.1539610000e+00  2.0012380000e+00
+ENERGY -1.526559442971e+02
+FORCES  5.6654000000e-03  3.5551000000e-03 -1.7079000000e-03 -5.4711000000e-03 -2.5394000000e-03 -1.0692000000e-03  3.1094000000e-03  3.0416000000e-03  2.8247000000e-03 -8.9934000000e-03 -4.2351000000e-03  6.5400000000e-04  1.6385000000e-03 -3.7606000000e-03 -1.3019000000e-03  4.0513000000e-03  3.9384000000e-03  6.0020000000e-04
+
+JOB 18
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8737800000e-01  5.6536300000e-01 -3.5228900000e-01 -5.3209000000e-02 -7.2769100000e-01 -6.1957000000e-01 -1.6357430000e+00 -1.9867450000e+00  1.7896910000e+00 -2.1018960000e+00 -1.4845620000e+00  1.1213000000e+00 -9.8525700000e-01 -2.4909190000e+00  1.3009090000e+00
+ENERGY -1.526528483580e+02
+FORCES  3.5385000000e-03  2.7560000000e-04 -3.4733000000e-03 -3.0195000000e-03 -2.7940000000e-03  1.8365000000e-03 -1.1689000000e-03  2.0142000000e-03  3.7256000000e-03  3.1689000000e-03  3.9289000000e-03 -4.9993000000e-03  4.1940000000e-04 -4.1415000000e-03  2.0322000000e-03 -2.9384000000e-03  7.1680000000e-04  8.7830000000e-04
+
+JOB 19
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8306200000e-01 -2.6881500000e-01  4.8039900000e-01  3.3359000000e-01  3.4988200000e-01 -8.2615500000e-01  1.7059890000e+00 -1.8171840000e+00  1.6142830000e+00  2.2778680000e+00 -2.3824930000e+00  1.0950410000e+00  2.3049820000e+00 -1.2410030000e+00  2.0891040000e+00
+ENERGY -1.526578367186e+02
+FORCES  5.8547000000e-03 -4.4382000000e-03  2.4281000000e-03 -3.1496000000e-03  8.1994000000e-03 -4.4507000000e-03 -3.0910000000e-04 -1.9671000000e-03  3.2151000000e-03  4.1180000000e-03 -4.2606000000e-03  9.9690000000e-04 -2.4041000000e-03  3.5496000000e-03  2.5561000000e-03 -4.1099000000e-03 -1.0832000000e-03 -4.7455000000e-03
+
+JOB 20
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3436900000e-01 -5.3006400000e-01 -6.6827200000e-01  7.0721300000e-01  2.8074400000e-01  5.8074400000e-01 -3.2479350000e+00  1.7691900000e-01  1.0841200000e-01 -3.7579520000e+00  8.0865200000e-01 -3.9856700000e-01 -2.5990380000e+00  7.0781600000e-01  5.7027000000e-01
+ENERGY -1.526555013396e+02
+FORCES  4.5697000000e-03 -3.1241000000e-03 -2.1431000000e-03 -7.5400000000e-04  2.5986000000e-03  3.0414000000e-03 -3.8303000000e-03 -7.3890000000e-04 -2.2026000000e-03  3.9613000000e-03  4.2665000000e-03 -2.4300000000e-04  1.9758000000e-03 -2.4861000000e-03  1.7146000000e-03 -5.9225000000e-03 -5.1600000000e-04 -1.6740000000e-04
+
+JOB 21
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4162000000e-01 -5.8288100000e-01 -5.3210000000e-01 -6.6160300000e-01  3.3288900000e-01 -6.0638200000e-01  1.7711710000e+00 -1.7082270000e+00 -1.9893410000e+00  2.4082850000e+00 -2.0686040000e+00 -1.3725380000e+00  2.2784480000e+00 -1.1065450000e+00 -2.5342100000e+00
+ENERGY -1.526608045831e+02
+FORCES  1.1989000000e-03 -3.8328000000e-03 -7.4812000000e-03 -3.7155000000e-03  5.0942000000e-03  7.3839000000e-03  2.1056000000e-03 -4.7680000000e-04  2.1224000000e-03  6.8373000000e-03 -7.1770000000e-04 -2.4229000000e-03 -3.8712000000e-03  2.8575000000e-03 -2.4876000000e-03 -2.5552000000e-03 -2.9243000000e-03  2.8854000000e-03
+
+JOB 22
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5027600000e-01  4.4930200000e-01 -5.3990700000e-01 -4.9944600000e-01 -3.4446600000e-01  7.4035700000e-01 -1.5042910000e+00 -1.9752890000e+00 -1.4573360000e+00 -2.1457550000e+00 -1.3546020000e+00 -1.1116430000e+00 -8.8974200000e-01 -1.4341690000e+00 -1.9530670000e+00
+ENERGY -1.526497978788e+02
+FORCES -6.8802000000e-03 -5.5455000000e-03  4.2000000000e-04  1.4549000000e-03 -3.7584000000e-03 -2.5280000000e-04  1.4563000000e-03  3.2083000000e-03 -2.5648000000e-03  5.8643000000e-03  7.8654000000e-03  2.8489000000e-03  2.6269000000e-03 -7.2560000000e-04 -7.5300000000e-05 -4.5221000000e-03 -1.0443000000e-03 -3.7600000000e-04
+
+JOB 23
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2100500000e-01 -3.7475100000e-01  7.1017400000e-01  6.2521900000e-01  5.1421900000e-01 -5.1079500000e-01  1.5309740000e+00 -1.4480110000e+00  1.6546090000e+00  1.9747230000e+00 -2.0442840000e+00  1.0514700000e+00  2.2252050000e+00 -8.7457600000e-01  1.9793370000e+00
+ENERGY -1.526582087076e+02
+FORCES  1.0604500000e-02 -8.5040000000e-03  1.0585100000e-02 -3.8714000000e-03  7.6921000000e-03 -6.0696000000e-03 -4.7470000000e-04 -2.4049000000e-03  2.3919000000e-03 -7.9000000000e-05  4.9030000000e-04 -6.1428000000e-03 -1.2979000000e-03  4.2945000000e-03  3.5536000000e-03 -4.8815000000e-03 -1.5680000000e-03 -4.3182000000e-03
+
+JOB 24
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6698100000e-01 -4.6887300000e-01  5.0152400000e-01  4.9317700000e-01  6.3197200000e-01 -5.2308700000e-01  1.8612850000e+00  1.5970430000e+00  1.5838270000e+00  2.4794450000e+00  1.1972170000e+00  9.7206900000e-01  1.3440600000e+00  2.1959350000e+00  1.0452740000e+00
+ENERGY -1.526504299584e+02
+FORCES  7.8565000000e-03  3.1164000000e-03  5.8206000000e-03 -1.7976000000e-03 -3.9300000000e-04 -4.2768000000e-03 -8.8530000000e-04 -1.3880000000e-04  1.8989000000e-03 -3.9492000000e-03  3.4110000000e-04 -5.4343000000e-03 -4.6566000000e-03 -3.8570000000e-04  1.5145000000e-03  3.4323000000e-03 -2.5399000000e-03  4.7710000000e-04
+
+JOB 25
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9227800000e-01  5.1839600000e-01 -5.4470500000e-01  4.6108700000e-01  6.4596100000e-01  5.3513100000e-01  1.4949860000e+00 -1.8511490000e+00  1.4990240000e+00  9.9145800000e-01 -1.3842110000e+00  2.1658510000e+00  1.7883930000e+00 -1.1671470000e+00  8.9712300000e-01
+ENERGY -1.526516267365e+02
+FORCES -7.1850000000e-04  2.9808000000e-03  2.4160000000e-04  2.6530000000e-03 -3.0003000000e-03  3.1492000000e-03  1.8520000000e-04 -5.7567000000e-03 -1.5177000000e-03 -7.1854000000e-03  6.5395000000e-03 -5.2057000000e-03  3.1672000000e-03 -8.2600000000e-04 -1.0446000000e-03  1.8985000000e-03  6.2700000000e-05  4.3773000000e-03
+
+JOB 26
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7038500000e-01 -3.8665600000e-01  5.6330500000e-01  3.9920100000e-01  6.8441500000e-01  5.3707200000e-01  1.6505590000e+00 -1.5404970000e+00  1.6838850000e+00  2.0410630000e+00 -2.3026730000e+00  2.1114670000e+00  9.6403800000e-01 -1.9044380000e+00  1.1248970000e+00
+ENERGY -1.526552759106e+02
+FORCES  3.3762000000e-03  2.2824000000e-03  7.9830000000e-03  3.8894000000e-03 -1.6660000000e-03 -2.7543000000e-03 -3.4920000000e-03 -1.0666000000e-03 -3.5070000000e-03 -2.1421000000e-03 -1.7692000000e-03 -4.8592000000e-03 -2.4251000000e-03  3.3143000000e-03 -2.7584000000e-03  7.9360000000e-04 -1.0950000000e-03  5.8959000000e-03
+
+JOB 27
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2037300000e-01 -3.5840800000e-01 -5.1849700000e-01 -5.5270900000e-01  4.5215900000e-01 -6.3741500000e-01  1.7212500000e+00  1.4717010000e+00  1.5498590000e+00  1.3276690000e+00  2.2202120000e+00  1.9982540000e+00  9.9214700000e-01  8.6896900000e-01  1.4037270000e+00
+ENERGY -1.526592951015e+02
+FORCES  4.9160000000e-03  5.4193000000e-03 -3.1423000000e-03 -4.1835000000e-03  1.4301000000e-03  2.5886000000e-03  2.4474000000e-03 -2.5718000000e-03  2.1140000000e-03 -1.0226000000e-02 -4.7403000000e-03 -5.0370000000e-03  1.7220000000e-04 -2.4983000000e-03 -2.1636000000e-03  6.8740000000e-03  2.9611000000e-03  5.6404000000e-03
+
+JOB 28
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8356600000e-01  3.2770100000e-01 -5.8445000000e-01 -4.0480800000e-01 -7.4085400000e-01  4.5110700000e-01  1.8688850000e+00  1.7021760000e+00  1.8603110000e+00  2.2479590000e+00  9.2383500000e-01  2.2686250000e+00  1.2668860000e+00  1.3579830000e+00  1.2004920000e+00
+ENERGY -1.526606518987e+02
+FORCES -5.5200000000e-03 -2.7468000000e-03 -1.3839000000e-03  2.8891000000e-03 -1.9379000000e-03  2.9500000000e-03  1.8166000000e-03  3.3696000000e-03 -2.3186000000e-03 -3.2209000000e-03 -6.6705000000e-03 -4.1754000000e-03 -1.1001000000e-03  2.5127000000e-03 -5.6360000000e-04  5.1354000000e-03  5.4728000000e-03  5.4915000000e-03
+
+JOB 29
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2435500000e-01 -5.1730100000e-01 -6.1129600000e-01 -5.2100800000e-01  5.7648700000e-01 -5.5896800000e-01  1.8636700000e+00  1.5276250000e+00 -1.6926440000e+00  1.3990640000e+00  1.8038090000e+00 -9.0264700000e-01  1.2474250000e+00  9.5097200000e-01 -2.1442470000e+00
+ENERGY -1.526517881143e+02
+FORCES  2.3884000000e-03 -7.1400000000e-04 -5.6768000000e-03 -3.2969000000e-03  3.3854000000e-03  7.4390000000e-04  5.2764000000e-03 -5.9130000000e-04  1.4774000000e-03 -6.0252000000e-03 -2.8569000000e-03  6.0072000000e-03  9.1150000000e-04  1.0869000000e-03 -5.2049000000e-03  7.4580000000e-04 -3.1010000000e-04  2.6531000000e-03
+
+JOB 30
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8088000000e-01 -6.4192600000e-01 -2.0140800000e-01 -4.4073300000e-01 -3.5223700000e-01  7.7325000000e-01 -1.9496190000e+00 -1.5139060000e+00 -1.5311640000e+00 -1.3916400000e+00 -1.1761050000e+00 -2.2317220000e+00 -2.6184250000e+00 -2.0278110000e+00 -1.9837480000e+00
+ENERGY -1.526540712589e+02
+FORCES -3.8581000000e-03 -7.1538000000e-03  1.8125000000e-03 -2.0653000000e-03  2.9678000000e-03 -3.2210000000e-04  3.4819000000e-03  2.4966000000e-03 -1.1061000000e-03  1.9887000000e-03  2.8020000000e-03 -4.4191000000e-03 -2.7500000000e-03 -3.7020000000e-03  1.2453000000e-03  3.2028000000e-03  2.5893000000e-03  2.7895000000e-03
+
+JOB 31
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6045100000e-01  5.8017100000e-01  5.1529400000e-01  5.9208000000e-01  5.9014000000e-01 -4.6627000000e-01 -1.5143310000e+00 -1.5451280000e+00  1.8126840000e+00 -1.0349550000e+00 -2.0687350000e+00  1.1706040000e+00 -2.2166880000e+00 -1.1327720000e+00  1.3098040000e+00
+ENERGY -1.526555236337e+02
+FORCES -1.1433000000e-03  3.4278000000e-03  4.1843000000e-03  1.0155000000e-03 -9.7320000000e-04 -4.9100000000e-03 -2.7040000000e-03 -2.6955000000e-03  2.9481000000e-03  3.7591000000e-03  2.8370000000e-04 -9.0251000000e-03 -3.6487000000e-03 -8.1620000000e-04  4.0669000000e-03  2.7213000000e-03  7.7350000000e-04  2.7357000000e-03
+
+JOB 32
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5473300000e-01  5.7819100000e-01 -5.2363900000e-01 -4.2568400000e-01 -5.6937600000e-01 -6.4096400000e-01 -9.0234000000e-02 -3.2561800000e+00 -2.1526000000e-01  5.4676200000e-01 -2.8869610000e+00 -8.2693300000e-01 -4.6563000000e-01 -4.0031200000e+00 -6.8151300000e-01
+ENERGY -1.526542282941e+02
+FORCES -1.5135000000e-03 -7.2930000000e-04 -3.3514000000e-03 -1.9161000000e-03 -3.3765000000e-03  1.9782000000e-03  3.5316000000e-03  4.0666000000e-03  8.1910000000e-04  2.8416000000e-03 -3.0017000000e-03 -2.7846000000e-03 -4.4793000000e-03 -8.2740000000e-04  1.3231000000e-03  1.5357000000e-03  3.8683000000e-03  2.0157000000e-03
+
+JOB 33
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6502900000e-01 -5.3178200000e-01 -5.6052000000e-01 -3.9263900000e-01  6.4026200000e-01 -5.9340600000e-01 -1.6932060000e+00 -1.7132330000e+00 -1.7939760000e+00 -2.2804690000e+00 -1.1712460000e+00 -1.2670940000e+00 -1.2398200000e+00 -1.0919190000e+00 -2.3637490000e+00
+ENERGY -1.526514339809e+02
+FORCES -3.9310000000e-04 -3.9666000000e-03 -6.2169000000e-03 -1.0609000000e-03  4.0821000000e-03  1.6094000000e-03 -2.3800000000e-05 -3.2845000000e-03  1.3599000000e-03  5.4290000000e-04  6.4610000000e-03  4.5389000000e-03  9.9490000000e-04 -1.7146000000e-03 -4.0629000000e-03 -6.0100000000e-05 -1.5774000000e-03  2.7717000000e-03
+
+JOB 34
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3193000000e-01 -5.1589600000e-01  6.8082300000e-01 -6.4281100000e-01 -5.9740200000e-01 -3.8227800000e-01 -1.6606180000e+00  1.5307370000e+00  2.0450940000e+00 -1.1816330000e+00  9.1903100000e-01  1.4859690000e+00 -9.9143100000e-01  1.9087720000e+00  2.6156280000e+00
+ENERGY -1.526590399856e+02
+FORCES  1.3665000000e-03 -5.8388000000e-03 -3.1026000000e-03 -4.2851000000e-03  4.5534000000e-03 -1.7170000000e-03  3.0041000000e-03  3.5166000000e-03  3.3621000000e-03  7.2444000000e-03 -1.6885000000e-03 -5.3007000000e-03 -5.3322000000e-03  1.3558000000e-03  8.3976000000e-03 -1.9978000000e-03 -1.8984000000e-03 -1.6394000000e-03
+
+JOB 35
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5860300000e-01  6.0965000000e-01  5.7813700000e-01  7.3828000000e-01  5.0364800000e-01 -3.4280200000e-01 -1.4685060000e+00 -1.5517510000e+00 -1.7339460000e+00 -1.9952980000e+00 -2.0210860000e+00 -1.0870710000e+00 -1.0525510000e+00 -8.4626500000e-01 -1.2384640000e+00
+ENERGY -1.526599764758e+02
+FORCES  3.9880000000e-04  8.9730000000e-04 -1.3740000000e-03  2.1213000000e-03 -3.4559000000e-03 -3.6378000000e-03 -4.6290000000e-03 -1.9769000000e-03  2.0787000000e-03  6.9845000000e-03  6.3015000000e-03  1.1359100000e-02  9.4100000000e-04  1.6820000000e-03 -1.5842000000e-03 -5.8166000000e-03 -3.4480000000e-03 -6.8419000000e-03
+
+JOB 36
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0487000000e-01 -5.5770400000e-01  5.9186500000e-01 -6.0119300000e-01 -6.0030200000e-01 -4.4095000000e-01  1.6861180000e+00  1.5968480000e+00  1.6238320000e+00  1.0246580000e+00  1.1094420000e+00  2.1148910000e+00  1.9626050000e+00  2.2931600000e+00  2.2195980000e+00
+ENERGY -1.526521508109e+02
+FORCES  2.3994000000e-03 -4.0105000000e-03 -6.6300000000e-05 -4.1984000000e-03  3.0360000000e-03  3.8800000000e-05  2.9004000000e-03  3.3453000000e-03  1.8083000000e-03 -4.3454000000e-03  1.1061000000e-03  2.4962000000e-03  4.8632000000e-03 -8.3130000000e-04 -1.1971000000e-03 -1.6192000000e-03 -2.6456000000e-03 -3.0800000000e-03
+
+JOB 37
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9546200000e-01 -4.5228300000e-01 -5.9757600000e-01  5.6519100000e-01  5.8426400000e-01  5.0539700000e-01  1.6247150000e+00  1.6406500000e+00 -1.6385670000e+00  2.2222370000e+00  2.1626840000e+00 -2.1739930000e+00  1.2862860000e+00  9.7443000000e-01 -2.2367700000e+00
+ENERGY -1.526541980108e+02
+FORCES  8.9194000000e-03  6.1924000000e-03 -2.0486000000e-03 -3.0929000000e-03  7.0080000000e-04 -1.2353000000e-03 -3.4987000000e-03 -3.8147000000e-03  1.3575000000e-03 -2.3726000000e-03 -1.1728000000e-03 -4.2716000000e-03 -3.3202000000e-03 -2.5049000000e-03  2.7755000000e-03  3.3651000000e-03  5.9910000000e-04  3.4225000000e-03
+
+JOB 38
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2061800000e-01  2.6741300000e-01  6.7790600000e-01  4.3680600000e-01 -7.6971200000e-01  3.6465900000e-01  1.5753310000e+00  1.5077520000e+00  1.7864330000e+00  1.9718880000e+00  7.8597900000e-01  1.2985630000e+00  8.9627300000e-01  1.0931900000e+00  2.3186460000e+00
+ENERGY -1.526480986530e+02
+FORCES  7.0450000000e-04  3.3935000000e-03  6.9819000000e-03  2.8210000000e-03 -2.1590000000e-03 -1.1254000000e-03  7.5970000000e-04  5.3703000000e-03 -2.4300000000e-05 -5.6320000000e-03 -7.8395000000e-03 -7.7680000000e-03  8.7240000000e-04  4.1300000000e-04  3.8833000000e-03  4.7440000000e-04  8.2170000000e-04 -1.9475000000e-03
+
+JOB 39
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0522800000e-01 -5.7109400000e-01 -3.0452600000e-01  3.4868300000e-01  4.1101700000e-01  7.9102300000e-01 -1.3792590000e+00  1.6453080000e+00  1.7128520000e+00 -1.9551400000e+00  2.2454750000e+00  2.1865520000e+00 -1.9634330000e+00  9.6282200000e-01  1.3824190000e+00
+ENERGY -1.526590829514e+02
+FORCES  2.6879000000e-03  3.1760000000e-03  3.8755000000e-03 -2.3610000000e-03  2.9246000000e-03  1.8530000000e-03  6.0270000000e-04 -5.5196000000e-03 -4.7979000000e-03 -3.8981000000e-03 -2.0114000000e-03 -2.6350000000e-03  1.5906000000e-03 -2.8028000000e-03 -2.5365000000e-03  1.3779000000e-03  4.2332000000e-03  4.2410000000e-03
+
+JOB 40
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8957500000e-01  5.1064700000e-01 -4.2421500000e-01 -4.3772700000e-01 -4.3125800000e-01  7.3392300000e-01  1.6337720000e+00  1.5732110000e+00  1.5668480000e+00  1.0482550000e+00  2.0509480000e+00  2.1543590000e+00  1.0498660000e+00  1.0395560000e+00  1.0278700000e+00
+ENERGY -1.526591871002e+02
+FORCES -2.5050000000e-03  1.1674000000e-03  7.8060000000e-04  3.5673000000e-03 -2.4970000000e-03  3.7564000000e-03  3.5233000000e-03  5.4020000000e-03 -2.8343000000e-03 -9.1279000000e-03 -6.8308000000e-03 -8.4712000000e-03  4.2790000000e-04 -2.5083000000e-03 -2.4911000000e-03  4.1144000000e-03  5.2668000000e-03  9.2597000000e-03
+
+JOB 41
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4581700000e-01  6.5347200000e-01 -6.5481300000e-01 -5.9024000000e-01 -5.9406400000e-01 -4.6361300000e-01 -1.5986090000e+00  1.6757110000e+00 -1.4288860000e+00 -1.2723780000e+00  1.0893820000e+00 -2.1115460000e+00 -2.2014660000e+00  1.1363030000e+00 -9.1718900000e-01
+ENERGY -1.526486799963e+02
+FORCES -7.2649000000e-03  9.2440000000e-03 -8.3961000000e-03  1.8329000000e-03 -4.8292000000e-03 -8.2780000000e-04 -2.0750000000e-04  2.8537000000e-03  7.0220000000e-04  1.4845000000e-03 -9.1241000000e-03  6.8734000000e-03  2.5031000000e-03  8.3980000000e-04  5.6128000000e-03  1.6519000000e-03  1.0158000000e-03 -3.9645000000e-03
+
+JOB 42
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4345900000e-01 -6.8097400000e-01  5.7839600000e-01 -5.2934000000e-01 -4.7424800000e-01 -6.4118700000e-01 -1.6303210000e+00 -1.5871610000e+00 -1.8403060000e+00 -1.1122520000e+00 -2.2924370000e+00 -2.2281490000e+00 -2.2179200000e+00 -2.0298330000e+00 -1.2279340000e+00
+ENERGY -1.526607047677e+02
+FORCES -4.8010000000e-03 -7.0791000000e-03 -5.9737000000e-03 -1.5105000000e-03  1.5252000000e-03 -2.0419000000e-03  5.7262000000e-03  4.7995000000e-03  8.0979000000e-03 -1.4555000000e-03 -5.0305000000e-03 -8.3330000000e-04 -2.5793000000e-03  3.4407000000e-03  3.1672000000e-03  4.6200000000e-03  2.3442000000e-03 -2.4162000000e-03
+
+JOB 43
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3046800000e-01  4.3698400000e-01 -7.8490000000e-01 -7.7320100000e-01 -4.0534200000e-01  3.9254200000e-01 -2.0685400000e-01  3.0779250000e+00  1.2884800000e-01 -6.8684900000e-01  3.4739810000e+00 -5.9845900000e-01  1.0830700000e-01  3.8220250000e+00  6.4189800000e-01
+ENERGY -1.526523191915e+02
+FORCES -4.5561000000e-03  4.8896000000e-03 -7.9370000000e-04  6.0720000000e-04 -3.8326000000e-03  1.0678000000e-03  2.9934000000e-03  1.1598000000e-03 -1.4647000000e-03  6.8420000000e-04  4.5896000000e-03  7.7340000000e-04  1.9353000000e-03 -3.5714000000e-03  2.6455000000e-03 -1.6641000000e-03 -3.2350000000e-03 -2.2282000000e-03
+
+JOB 44
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9848000000e-01  5.1445000000e-01 -6.3489400000e-01 -5.3154400000e-01 -5.9042600000e-01 -5.3393700000e-01 -1.6590770000e+00  1.6687830000e+00  1.8482850000e+00 -1.0059510000e+00  1.3287210000e+00  1.2367170000e+00 -2.3618670000e+00  2.0000150000e+00  1.2891760000e+00
+ENERGY -1.526601481036e+02
+FORCES -1.8060000000e-04 -3.5493000000e-03 -4.8117000000e-03 -3.7848000000e-03 -1.6191000000e-03  3.6141000000e-03  3.0270000000e-03  3.3975000000e-03  1.7211000000e-03  3.4510000000e-03 -4.3798000000e-03 -7.2022000000e-03 -4.7819000000e-03  7.4369000000e-03  5.2477000000e-03  2.2693000000e-03 -1.2862000000e-03  1.4311000000e-03
+
+JOB 45
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5622400000e-01  3.6576600000e-01 -6.8779500000e-01 -5.6401700000e-01 -6.2232000000e-01  4.5916600000e-01  1.7985730000e+00  1.5580360000e+00 -1.7829610000e+00  1.1077000000e+00  2.1266510000e+00 -1.4429580000e+00  2.1411970000e+00  1.1084410000e+00 -1.0104940000e+00
+ENERGY -1.526566096285e+02
+FORCES -4.1580000000e-03 -1.5025000000e-03 -2.8863000000e-03  1.5050000000e-03  1.9700000000e-05  4.5606000000e-03  2.4513000000e-03  2.6498000000e-03 -2.6338000000e-03 -2.0059000000e-03 -2.3791000000e-03  8.1733000000e-03  6.8290000000e-04 -2.1593000000e-03 -2.8403000000e-03  1.5246000000e-03  3.3714000000e-03 -4.3735000000e-03
+
+JOB 46
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8868400000e-01  4.1033100000e-01  6.3349100000e-01 -5.4569400000e-01 -6.4240900000e-01 -4.5360800000e-01 -1.5581820000e+00 -1.7156480000e+00 -1.5233550000e+00 -2.1854740000e+00 -1.2610180000e+00 -2.0855360000e+00 -2.0892380000e+00 -2.0746230000e+00 -8.1247700000e-01
+ENERGY -1.526590780983e+02
+FORCES -8.3204000000e-03 -7.4252000000e-03 -7.4017000000e-03  5.4530000000e-04 -2.3721000000e-03 -2.5910000000e-03  3.7265000000e-03  5.2067000000e-03  9.2572000000e-03 -2.8133000000e-03  2.3494000000e-03 -8.0250000000e-04  2.5355000000e-03 -2.8345000000e-03  3.8922000000e-03  4.3264000000e-03  5.0757000000e-03 -2.3541000000e-03
+
+JOB 47
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2547200000e-01 -1.8936100000e-01  5.9503300000e-01  4.1969200000e-01  3.4599100000e-01 -7.8764300000e-01 -1.9248060000e+00  1.5372680000e+00  1.5686550000e+00 -1.4939640000e+00  9.7136400000e-01  9.2806200000e-01 -2.4865970000e+00  2.1084380000e+00  1.0448350000e+00
+ENERGY -1.526612972427e+02
+FORCES  5.1549000000e-03  1.5439000000e-03  6.5540000000e-04 -2.9280000000e-03  7.6040000000e-04 -3.8478000000e-03 -1.5743000000e-03 -1.6765000000e-03  3.7624000000e-03  4.1693000000e-03 -3.9339000000e-03 -7.1437000000e-03 -7.1709000000e-03  5.2443000000e-03  5.6866000000e-03  2.3491000000e-03 -1.9383000000e-03  8.8710000000e-04
+
+JOB 48
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6175000000e-01  5.5934300000e-01 -6.2462300000e-01 -7.5086100000e-01 -3.3678500000e-01 -4.8889200000e-01  1.9373620000e+00  1.6445230000e+00 -1.6595550000e+00  2.4581330000e+00  9.4908800000e-01 -2.0613020000e+00  2.5401810000e+00  2.0767640000e+00 -1.0545690000e+00
+ENERGY -1.526616887526e+02
+FORCES  2.0537000000e-03  4.6280000000e-03 -6.0993000000e-03 -6.1981000000e-03 -7.0142000000e-03  5.5153000000e-03  3.0002000000e-03  1.1517000000e-03  9.7350000000e-04  6.8642000000e-03  4.3960000000e-04  6.6360000000e-04 -3.1683000000e-03  3.1953000000e-03  2.3302000000e-03 -2.5517000000e-03 -2.4004000000e-03 -3.3833000000e-03
+
+JOB 49
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6639300000e-01  5.9038300000e-01 -4.9686900000e-01  4.1865000000e-01  5.6158200000e-01  6.5237200000e-01 -1.5538540000e+00  1.6869290000e+00 -1.5643890000e+00 -1.9366570000e+00  2.2653170000e+00 -9.0472200000e-01 -2.2789830000e+00  1.1276810000e+00 -1.8430670000e+00
+ENERGY -1.526597829470e+02
+FORCES -5.6222000000e-03  1.0415200000e-02 -7.8786000000e-03  3.3039000000e-03 -6.8794000000e-03  8.4160000000e-03 -2.3441000000e-03 -6.2820000000e-04 -2.1369000000e-03 -3.4163000000e-03 -9.0480000000e-04  8.3070000000e-04  3.4880000000e-03 -4.8315000000e-03 -2.1580000000e-03  4.5908000000e-03  2.8287000000e-03  2.9268000000e-03
+
+JOB 50
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2644300000e-01  4.3777500000e-01 -5.7632900000e-01 -4.3619700000e-01 -6.4041200000e-01 -5.6199400000e-01  1.8204350000e+00  1.6689400000e+00 -1.5361700000e+00  1.3956860000e+00  2.2924350000e+00 -2.1253000000e+00  2.4190300000e+00  2.2023460000e+00 -1.0132990000e+00
+ENERGY -1.526619152434e+02
+FORCES  5.7636000000e-03  3.5186000000e-03 -6.8593000000e-03 -6.9813000000e-03 -6.4394000000e-03  5.4159000000e-03  1.4881000000e-03  2.6159000000e-03  1.0048000000e-03  2.6930000000e-04  4.9391000000e-03  9.0770000000e-04  2.4734000000e-03 -2.8021000000e-03  2.8357000000e-03 -3.0130000000e-03 -1.8322000000e-03 -3.3047000000e-03
+
+JOB 51
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1252100000e-01  5.6575000000e-01  4.7008100000e-01  4.6914400000e-01 -4.7058000000e-01  6.8897800000e-01  1.6668020000e+00 -1.5632830000e+00 -1.6817600000e+00  1.0115360000e+00 -9.9058000000e-01 -2.0803440000e+00  1.1567400000e+00 -2.2571060000e+00 -1.2638150000e+00
+ENERGY -1.526560577848e+02
+FORCES  3.4027000000e-03 -9.6250000000e-04  4.2193000000e-03  3.2377000000e-03 -2.7309000000e-03 -2.4862000000e-03 -4.2850000000e-03  1.5038000000e-03 -1.7600000000e-03 -9.1925000000e-03  4.2608000000e-03  2.4035000000e-03  3.8128000000e-03 -3.6690000000e-03 -2.2333000000e-03  3.0242000000e-03  1.5978000000e-03 -1.4320000000e-04
+
+JOB 52
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2589300000e-01  7.5097300000e-01 -4.1338300000e-01  5.9699500000e-01  3.8562800000e-01  6.4118600000e-01  1.6257330000e+00 -1.5634130000e+00  1.7674220000e+00  2.2178520000e+00 -2.0759280000e+00  2.3178350000e+00  2.1929190000e+00 -9.2623700000e-01  1.3332110000e+00
+ENERGY -1.526515078377e+02
+FORCES  2.2470000000e-04  3.0002000000e-03  3.5177000000e-03  1.7515000000e-03 -3.8048000000e-03  2.0591000000e-03  1.1700000000e-03 -9.0540000000e-04 -4.5366000000e-03  4.5389000000e-03 -7.6110000000e-04 -1.2776000000e-03 -3.0618000000e-03  1.9149000000e-03 -2.8284000000e-03 -4.6233000000e-03  5.5620000000e-04  3.0659000000e-03
+
+JOB 53
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8233100000e-01  4.0327900000e-01  5.3667700000e-01  3.7673800000e-01 -6.7824600000e-01  5.6061000000e-01  1.6595840000e+00 -1.9299020000e+00 -1.5919050000e+00  1.0480620000e+00 -2.3450690000e+00 -9.8370300000e-01  2.1655100000e+00 -1.3257530000e+00 -1.0485140000e+00
+ENERGY -1.526512323734e+02
+FORCES -1.5364000000e-03 -7.1050000000e-04  3.8938000000e-03  3.1024000000e-03 -2.2640000000e-03 -3.0304000000e-03  1.9000000000e-05  1.2358000000e-03 -3.9483000000e-03 -3.5229000000e-03  4.7246000000e-03  3.9485000000e-03  3.2907000000e-03  1.1381000000e-03 -1.7910000000e-04 -1.3528000000e-03 -4.1241000000e-03 -6.8460000000e-04
+
+JOB 54
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6489300000e-01 -5.1240600000e-01  6.6147300000e-01 -4.5402800000e-01 -6.5229600000e-01 -5.3347900000e-01  5.4045000000e-02 -3.3671160000e+00  8.3140000000e-02  5.2046900000e-01 -4.1326650000e+00  4.1872200000e-01  6.2509300000e-01 -3.0194030000e+00 -6.0186500000e-01
+ENERGY -1.526565520017e+02
+FORCES -2.0150000000e-03 -6.3614000000e-03  2.5607000000e-03 -5.1600000000e-05  3.7350000000e-03 -3.1512000000e-03  3.2137000000e-03  3.3249000000e-03 -1.0220000000e-04  4.1924000000e-03 -4.3343000000e-03 -1.4893000000e-03 -1.7529000000e-03  3.5913000000e-03 -1.5325000000e-03 -3.5866000000e-03  4.4600000000e-05  3.7145000000e-03
+
+JOB 55
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8223800000e-01  5.7594100000e-01  6.6213200000e-01  6.9865200000e-01 -4.6471200000e-01  4.6060700000e-01  1.8076300000e+00  1.4589930000e+00  1.4955870000e+00  1.1828430000e+00  2.0236580000e+00  1.0405860000e+00  2.4222490000e+00  2.0653070000e+00  1.9089370000e+00
+ENERGY -1.526553329165e+02
+FORCES  7.2436000000e-03  1.1988000000e-03  8.9117000000e-03  1.4192000000e-03  2.0937000000e-03 -3.7022000000e-03 -4.2571000000e-03 -1.2418000000e-03 -3.3869000000e-03 -1.4788000000e-03  2.9807000000e-03 -3.8437000000e-03  2.1390000000e-04 -2.4604000000e-03  4.8436000000e-03 -3.1408000000e-03 -2.5709000000e-03 -2.8224000000e-03
+
+JOB 56
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4826900000e-01  4.3292900000e-01  5.5547400000e-01  5.0204100000e-01  7.1736600000e-01 -3.8674500000e-01 -1.7434630000e+00  1.6442710000e+00 -1.5401210000e+00 -1.2682190000e+00  1.2282320000e+00 -2.2593480000e+00 -2.2228850000e+00  2.3625430000e+00 -1.9530030000e+00
+ENERGY -1.526559673354e+02
+FORCES -6.0271000000e-03  9.1300000000e-03 -1.1889000000e-03  3.8414000000e-03 -3.2394000000e-03  1.1072000000e-03  1.7540000000e-04 -3.7456000000e-03 -6.3000000000e-05  8.7160000000e-04 -2.7956000000e-03 -4.5360000000e-03 -1.5198000000e-03  4.1768000000e-03  2.3154000000e-03  2.6585000000e-03 -3.5262000000e-03  2.3652000000e-03
+
+JOB 57
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9030700000e-01 -4.4336400000e-01 -6.0926100000e-01  5.8109000000e-01  4.7038400000e-01  5.9775000000e-01  1.8632110000e+00  1.6310130000e+00 -1.5878210000e+00  2.1946060000e+00  2.2439470000e+00 -2.2441140000e+00  1.1216430000e+00  1.2010680000e+00 -2.0137950000e+00
+ENERGY -1.526564084051e+02
+FORCES  8.3968000000e-03  2.8080000000e-03  1.1038000000e-03 -4.0175000000e-03  2.5708000000e-03 -8.6300000000e-04 -3.9010000000e-03 -3.2349000000e-03 -4.8010000000e-04 -3.7670000000e-03  1.2183000000e-03 -3.3659000000e-03 -2.3045000000e-03 -2.5973000000e-03  2.8182000000e-03  5.5931000000e-03 -7.6500000000e-04  7.8690000000e-04
+
+JOB 58
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3044100000e-01 -3.7181100000e-01  7.0471400000e-01  6.9208800000e-01  4.8413400000e-01  4.5039900000e-01  1.8008730000e+00  1.8047290000e+00  1.5863640000e+00  2.3396420000e+00  1.3345560000e+00  2.2226790000e+00  2.4223800000e+00  2.3447000000e+00  1.0981090000e+00
+ENERGY -1.526610597555e+02
+FORCES  3.5028000000e-03  5.2629000000e-03  7.2599000000e-03  1.8510000000e-03  6.6580000000e-04 -2.0462000000e-03 -4.7968000000e-03 -7.2029000000e-03 -5.5886000000e-03  5.1361000000e-03  2.6324000000e-03  1.2647000000e-03 -3.0191000000e-03  1.8373000000e-03 -3.6876000000e-03 -2.6739000000e-03 -3.1954000000e-03  2.7978000000e-03
+
+JOB 59
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8687600000e-01  4.7620200000e-01 -6.7261800000e-01 -6.5392500000e-01 -5.5991600000e-01  4.1845900000e-01 -3.1771000000e-02 -2.6210600000e-01 -3.6738630000e+00  6.8279800000e-01 -6.1299800000e-01 -4.2053700000e+00 -3.7692900000e-01  4.6800200000e-01 -4.1877100000e+00
+ENERGY -1.526551304412e+02
+FORCES -4.4233000000e-03 -1.0034000000e-03 -3.4313000000e-03  1.0694000000e-03 -4.0720000000e-04  4.9327000000e-03  2.5204000000e-03  2.2032000000e-03 -1.2019000000e-03  3.0697000000e-03  4.4910000000e-04 -4.8117000000e-03 -3.3654000000e-03  1.5784000000e-03  1.5515000000e-03  1.1292000000e-03 -2.8200000000e-03  2.9607000000e-03
+
+JOB 60
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3753900000e-01 -5.0913100000e-01  3.3623500000e-01 -4.0243100000e-01 -5.6651700000e-01 -6.5828500000e-01  1.7604110000e+00  1.5898790000e+00  1.4486630000e+00  1.3132630000e+00  9.3270200000e-01  1.9819620000e+00  2.3690840000e+00  2.0153600000e+00  2.0525790000e+00
+ENERGY -1.526521671953e+02
+FORCES  4.1215000000e-03 -2.1655000000e-03 -1.8556000000e-03 -4.8404000000e-03  1.3649000000e-03  1.9078000000e-03  2.1773000000e-03  3.0588000000e-03  2.4482000000e-03 -2.8472000000e-03 -7.0650000000e-04  3.7716000000e-03  4.4676000000e-03  1.8050000000e-04 -2.9795000000e-03 -3.0788000000e-03 -1.7321000000e-03 -3.2924000000e-03
+
+JOB 61
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5631600000e-01  6.7299100000e-01 -3.9220800000e-01  6.2633200000e-01  4.8797800000e-01  5.3461900000e-01  1.5238500000e+00 -1.9276750000e+00 -1.5136880000e+00  1.1653110000e+00 -1.3194420000e+00 -8.6736500000e-01  2.1435640000e+00 -2.4647080000e+00 -1.0199460000e+00
+ENERGY -1.526601757565e+02
+FORCES -1.9456000000e-03  4.6553000000e-03 -2.1993000000e-03  2.6876000000e-03 -2.1066000000e-03  3.4053000000e-03 -1.9846000000e-03 -3.8199000000e-03 -3.6384000000e-03 -4.8649000000e-03  4.5977000000e-03  5.9760000000e-03  8.3774000000e-03 -6.2402000000e-03 -3.0256000000e-03 -2.2700000000e-03  2.9138000000e-03 -5.1800000000e-04
+
+JOB 62
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6534200000e-01 -6.3038900000e-01 -4.4635200000e-01  5.9096000000e-01  4.8886400000e-01  5.7272100000e-01  1.3110620000e+00  1.8684700000e+00  1.5910070000e+00  7.3597100000e-01  2.3803590000e+00  2.1597520000e+00  1.8762660000e+00  1.3851330000e+00  2.1936370000e+00
+ENERGY -1.526599500413e+02
+FORCES  6.7505000000e-03  8.1846000000e-03  5.2340000000e-03 -4.2460000000e-04  2.6790000000e-03  2.7305000000e-03 -2.7424000000e-03 -1.0035200000e-02 -4.3816000000e-03 -3.5666000000e-03  1.0773000000e-03  2.8905000000e-03  4.1178000000e-03 -2.5567000000e-03 -1.9028000000e-03 -4.1347000000e-03  6.5090000000e-04 -4.5706000000e-03
+
+JOB 63
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6908200000e-01 -6.5124500000e-01  5.2160700000e-01 -6.9291800000e-01 -4.9577000000e-01 -4.3624400000e-01  1.4846420000e+00 -1.7624710000e+00 -1.5863870000e+00  1.1324250000e+00 -1.3078690000e+00 -2.3515740000e+00  1.9605910000e+00 -1.0866340000e+00 -1.1037400000e+00
+ENERGY -1.526540768533e+02
+FORCES  1.2437000000e-03 -1.2273200000e-02 -4.4539000000e-03  1.1840000000e-03  4.1918000000e-03 -1.1592000000e-03  8.2640000000e-04  3.7570000000e-03  1.2295000000e-03 -3.6857000000e-03  1.2064600000e-02  1.6053000000e-03  6.1140000000e-04 -3.1487000000e-03  1.8972000000e-03 -1.8000000000e-04 -4.5915000000e-03  8.8110000000e-04
+
+JOB 64
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8125000000e-01 -5.2898500000e-01  4.1509600000e-01  4.7859500000e-01  6.1098100000e-01 -5.6025100000e-01  1.6563030000e+00  1.7605500000e+00 -1.7693890000e+00  2.3595100000e+00  1.2259800000e+00 -2.1381250000e+00  2.1063120000e+00  2.4073940000e+00 -1.2259590000e+00
+ENERGY -1.526608690966e+02
+FORCES  6.7695000000e-03  4.3309000000e-03 -4.9331000000e-03 -1.7049000000e-03  1.7808000000e-03 -1.5045000000e-03 -5.0732000000e-03 -6.2061000000e-03  7.1957000000e-03  5.5041000000e-03  1.8631000000e-03 -1.4119000000e-03 -3.3737000000e-03  2.5462000000e-03  2.9752000000e-03 -2.1217000000e-03 -4.3149000000e-03 -2.3214000000e-03
+
+JOB 65
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7642900000e-01  3.4154400000e-01  5.8482700000e-01 -4.6671100000e-01 -5.9895000000e-01 -5.8281300000e-01 -1.7174010000e+00  1.8765790000e+00 -1.8390280000e+00 -1.1094040000e+00  1.3425510000e+00 -2.3502870000e+00 -2.2477330000e+00  1.2417940000e+00 -1.3573360000e+00
+ENERGY -1.526514968680e+02
+FORCES -5.0232000000e-03  1.6404000000e-03  3.6180000000e-04  1.9882000000e-03 -2.7263000000e-03 -2.5782000000e-03  1.0725000000e-03  3.7260000000e-03  9.4840000000e-04  4.1481000000e-03 -5.6864000000e-03  1.4378000000e-03 -4.0171000000e-03  1.4736000000e-03  5.7040000000e-04  1.8314000000e-03  1.5728000000e-03 -7.4020000000e-04
+
+JOB 66
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9281900000e-01  4.9301500000e-01 -6.5597100000e-01 -6.7996500000e-01 -4.5152100000e-01 -5.0000800000e-01  1.3544880000e+00 -1.5333620000e+00 -1.7740230000e+00  1.9344850000e+00 -2.2387790000e+00 -2.0607680000e+00  8.2774600000e-01 -1.9241940000e+00 -1.0768680000e+00
+ENERGY -1.526555321346e+02
+FORCES  4.6229000000e-03 -5.4320000000e-04 -1.0600000000e-02 -3.4944000000e-03  6.1250000000e-04  4.2528000000e-03  3.8953000000e-03 -2.0702000000e-03  2.9385000000e-03 -1.5998000000e-03 -4.7780000000e-04  6.5706000000e-03 -2.7289000000e-03  2.9870000000e-03  2.8690000000e-03 -6.9510000000e-04 -5.0830000000e-04 -6.0309000000e-03
+
+JOB 67
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9137000000e-01 -5.0314700000e-01 -4.3021200000e-01 -4.6216000000e-01 -6.4067300000e-01  5.4053500000e-01  1.5330740000e+00  1.8018340000e+00  1.6981950000e+00  1.7849340000e+00  1.2314880000e+00  2.4244890000e+00  1.0564870000e+00  1.2290320000e+00  1.0973660000e+00
+ENERGY -1.526605348538e+02
+FORCES -1.0848000000e-03 -5.0309000000e-03 -4.9440000000e-04 -3.0139000000e-03  3.2296000000e-03  4.0206000000e-03  3.5021000000e-03  3.0848000000e-03 -2.4603000000e-03 -5.9961000000e-03 -7.7261000000e-03 -4.4545000000e-03 -1.0718000000e-03  1.0989000000e-03 -2.5370000000e-03  7.6646000000e-03  5.3436000000e-03  5.9256000000e-03
+
+JOB 68
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9196000000e-01 -3.8044500000e-01 -6.4890400000e-01 -2.9099200000e-01 -7.4526300000e-01  5.2548900000e-01 -1.9049500000e+00  1.7325890000e+00  1.8943770000e+00 -1.2453780000e+00  1.1033130000e+00  2.1862830000e+00 -2.4315120000e+00  1.2500930000e+00  1.2570700000e+00
+ENERGY -1.526538756327e+02
+FORCES  2.6753000000e-03 -4.5437000000e-03 -2.0059000000e-03 -2.8784000000e-03  1.7298000000e-03  2.9341000000e-03  1.2860000000e-04  4.8125000000e-03 -8.8890000000e-04  3.4712000000e-03 -4.4065000000e-03 -4.8857000000e-03 -3.7992000000e-03  9.7800000000e-04  1.0049000000e-03  4.0250000000e-04  1.4299000000e-03  3.8415000000e-03
+
+JOB 69
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1212800000e-01 -7.8540100000e-01 -4.4939200000e-01  7.4773300000e-01  2.9097300000e-01  5.2198000000e-01  1.5874730000e+00  1.6367680000e+00 -1.4314170000e+00  2.0900250000e+00  1.4032170000e+00 -6.5095000000e-01  1.0241350000e+00  8.7925100000e-01 -1.5896920000e+00
+ENERGY -1.526472321233e+02
+FORCES  7.8452000000e-03  4.6011000000e-03 -7.2750000000e-04  1.1410000000e-04  7.6550000000e-03 -1.4803000000e-03  5.7200000000e-05 -4.4070000000e-04 -4.4671000000e-03 -1.0240200000e-02 -9.4697000000e-03  9.0724000000e-03 -2.5901000000e-03 -8.0490000000e-04  4.9450000000e-04  4.8137000000e-03 -1.5409000000e-03 -2.8920000000e-03
+
+JOB 70
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5166800000e-01  5.5456000000e-01  6.9643700000e-01  5.3869800000e-01 -6.4613100000e-01  4.5667400000e-01  1.5724860000e+00  1.7044380000e+00 -1.7121850000e+00  2.1686540000e+00  1.2151410000e+00 -2.2791100000e+00  1.1368670000e+00  1.0337440000e+00 -1.1862210000e+00
+ENERGY -1.526613842702e+02
+FORCES -7.6370000000e-04  7.7690000000e-04  5.1673000000e-03  2.2499000000e-03 -3.5567000000e-03 -3.1664000000e-03 -1.9473000000e-03  3.9578000000e-03 -2.9113000000e-03 -5.1776000000e-03 -7.8606000000e-03  4.1284000000e-03 -2.0235000000e-03  5.0750000000e-04  2.6043000000e-03  7.6622000000e-03  6.1751000000e-03 -5.8223000000e-03
+
+JOB 71
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9025000000e-01 -5.3857300000e-01 -6.2114800000e-01  6.4671300000e-01  6.1396800000e-01  3.4790400000e-01 -1.4850310000e+00  1.8108250000e+00 -1.6182850000e+00 -1.0444780000e+00  1.0616650000e+00 -1.2171570000e+00 -2.1373150000e+00  1.4218950000e+00 -2.2009440000e+00
+ENERGY -1.526607790696e+02
+FORCES  5.1727000000e-03  1.6612000000e-03  1.4295000000e-03 -4.0126000000e-03  4.2129000000e-03  1.7544000000e-03 -3.2172000000e-03 -3.7789000000e-03 -2.5940000000e-03  2.9826000000e-03 -8.4381000000e-03  6.0213000000e-03 -3.8374000000e-03  6.4585000000e-03 -8.7498000000e-03  2.9119000000e-03 -1.1560000000e-04  2.1387000000e-03
+
+JOB 72
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5202000000e-01 -6.6616700000e-01  4.0954500000e-01  5.9231400000e-01  2.8243200000e-01  6.9687100000e-01  1.5240680000e+00 -1.6655310000e+00 -1.7714870000e+00  9.7265000000e-01 -1.1318090000e+00 -1.1993770000e+00  9.0547300000e-01 -2.1896540000e+00 -2.2802770000e+00
+ENERGY -1.526608636719e+02
+FORCES  6.4280000000e-04  1.1290000000e-04  5.2453000000e-03  4.1506000000e-03  2.3325000000e-03 -3.6715000000e-03 -3.4221000000e-03 -2.2264000000e-03 -3.6488000000e-03 -7.7193000000e-03  6.8204000000e-03  4.5804000000e-03  5.2927000000e-03 -8.7823000000e-03 -5.0977000000e-03  1.0553000000e-03  1.7429000000e-03  2.5923000000e-03
+
+JOB 73
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3070200000e-01 -5.1664500000e-01  6.0635400000e-01  5.1328600000e-01  5.7887200000e-01  5.6362800000e-01 -1.8757050000e+00  1.7713030000e+00  1.6727780000e+00 -2.3287860000e+00  2.3165770000e+00  2.3159160000e+00 -1.3042910000e+00  1.2085370000e+00  2.1952830000e+00
+ENERGY -1.526512439467e+02
+FORCES -2.7583000000e-03  2.8741000000e-03  3.8324000000e-03  3.2474000000e-03  2.1179000000e-03 -7.5320000000e-04 -1.7941000000e-03 -3.5558000000e-03 -7.8620000000e-04  6.1500000000e-05  1.3020000000e-04  4.3437000000e-03  2.3158000000e-03 -2.5490000000e-03 -3.4788000000e-03 -1.0723000000e-03  9.8260000000e-04 -3.1579000000e-03
+
+JOB 74
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0188100000e-01 -4.3021500000e-01  6.9228800000e-01  5.8744500000e-01  5.9612900000e-01  4.6451100000e-01  1.6290260000e+00  1.5912330000e+00 -1.4532620000e+00  2.0407970000e+00  1.9784710000e+00 -2.2257410000e+00  9.3137900000e-01  1.0382310000e+00 -1.8049840000e+00
+ENERGY -1.526601893845e+02
+FORCES  3.3604000000e-03  3.0941000000e-03  2.7303000000e-03  2.7671000000e-03  2.3287000000e-03 -1.8598000000e-03 -5.0784000000e-03 -4.5100000000e-03 -1.6080000000e-04 -3.8119000000e-03 -3.5984000000e-03 -2.0826000000e-03 -2.4736000000e-03 -2.3095000000e-03  2.1868000000e-03  5.2364000000e-03  4.9950000000e-03 -8.1390000000e-04
+
+JOB 75
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9367600000e-01 -6.2947900000e-01 -6.5859100000e-01 -7.1935200000e-01  4.7026300000e-01 -4.2144700000e-01  1.4917080000e+00 -1.5279170000e+00 -1.8715540000e+00  2.1515390000e+00 -1.9636060000e+00 -1.3320820000e+00  1.9943810000e+00 -9.4912600000e-01 -2.4447490000e+00
+ENERGY -1.526613462545e+02
+FORCES  3.2578000000e-03 -5.6122000000e-03 -8.9989000000e-03 -5.5812000000e-03  4.9139000000e-03  7.8026000000e-03  2.8305000000e-03 -1.5306000000e-03  3.0700000000e-04  4.8324000000e-03  2.9579000000e-03  1.2342000000e-03 -3.3418000000e-03  2.6372000000e-03 -2.8716000000e-03 -1.9976000000e-03 -3.3663000000e-03  2.5267000000e-03
+
+JOB 76
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6672100000e-01  5.5792000000e-01  6.2219700000e-01 -6.8664800000e-01 -5.1872700000e-01 -4.1912900000e-01  1.7124710000e+00 -1.6425480000e+00  1.8172910000e+00  1.2275480000e+00 -9.6665600000e-01  1.3437390000e+00  2.3712090000e+00 -1.1599270000e+00  2.3166630000e+00
+ENERGY -1.526606993684e+02
+FORCES -6.3013000000e-03 -8.3010000000e-04 -2.1515000000e-03  3.7406000000e-03 -3.8542000000e-03 -1.8621000000e-03  2.6720000000e-03  3.5419000000e-03  2.1069000000e-03 -2.2005000000e-03  5.9868000000e-03 -5.0465000000e-03  5.0066000000e-03 -4.1343000000e-03  8.8227000000e-03 -2.9174000000e-03 -7.1010000000e-04 -1.8695000000e-03
+
+JOB 77
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2905200000e-01  3.6777100000e-01 -7.0787000000e-01 -5.5601300000e-01 -6.7483200000e-01  3.8946600000e-01 -3.3270110000e+00  1.5832900000e-01 -4.2034000000e-02 -3.8086290000e+00  7.2997900000e-01 -6.3994200000e-01 -4.0005360000e+00 -3.8982400000e-01  3.6061200000e-01
+ENERGY -1.526569860361e+02
+FORCES -8.4857000000e-03 -7.2720000000e-04 -7.5780000000e-04  4.3655000000e-03 -3.5580000000e-04  8.0440000000e-04  4.4615000000e-03  6.8470000000e-04 -4.7620000000e-04 -5.8640000000e-03  7.5560000000e-04 -1.4700000000e-04  2.4127000000e-03 -2.6402000000e-03  2.3490000000e-03  3.1100000000e-03  2.2829000000e-03 -1.7725000000e-03
+
+JOB 78
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0143600000e-01 -7.0045400000e-01  6.2050000000e-01  8.5490500000e-01  3.0175500000e-01 -3.0710500000e-01  1.5278370000e+00  1.8621390000e+00  1.7881520000e+00  1.0081170000e+00  1.3457190000e+00  2.4041330000e+00  2.1650610000e+00  2.3197870000e+00  2.3365470000e+00
+ENERGY -1.526554259323e+02
+FORCES  7.1256000000e-03  1.7114000000e-03  1.7349000000e-03 -1.4787000000e-03  2.9777000000e-03 -1.0191000000e-03 -4.1622000000e-03 -3.6813000000e-03 -1.2494000000e-03 -2.4617000000e-03 -1.1700000000e-04  4.7149000000e-03  3.9841000000e-03  1.5255000000e-03 -1.4099000000e-03 -3.0071000000e-03 -2.4163000000e-03 -2.7714000000e-03
+
+JOB 79
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6772200000e-01  5.4683800000e-01 -6.3121800000e-01 -5.9267000000e-01 -5.2924800000e-01 -5.3373300000e-01  1.6607480000e+00  1.7323390000e+00 -1.5360250000e+00  2.2170450000e+00  1.2838270000e+00 -2.1728950000e+00  1.0883310000e+00  2.2870570000e+00 -2.0659860000e+00
+ENERGY -1.526604273909e+02
+FORCES  5.8169000000e-03  5.6602000000e-03 -6.8524000000e-03 -8.4657000000e-03 -6.8473000000e-03  4.1123000000e-03  2.5752000000e-03  2.5124000000e-03  5.1960000000e-04  1.9483000000e-03  1.1884000000e-03 -3.5043000000e-03 -4.0023000000e-03  2.2722000000e-03  2.8804000000e-03  2.1275000000e-03 -4.7859000000e-03  2.8444000000e-03
+
+JOB 80
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7633700000e-01  3.6759600000e-01  6.7003100000e-01  3.6350600000e-01  7.6326400000e-01 -4.4891400000e-01 -1.5718060000e+00 -1.4476010000e+00  1.8201720000e+00 -1.0124410000e+00 -1.8392280000e+00  1.1493730000e+00 -2.0585200000e+00 -7.6498900000e-01  1.3582390000e+00
+ENERGY -1.526548860847e+02
+FORCES -2.3020000000e-04  2.4840000000e-03  3.7701000000e-03 -2.0536000000e-03 -2.1212000000e-03 -5.1173000000e-03 -2.3966000000e-03 -2.8436000000e-03  3.1591000000e-03  3.2616000000e-03 -1.7610000000e-04 -8.9396000000e-03 -3.5961000000e-03  4.5250000000e-04  4.6269000000e-03  5.0149000000e-03  2.2044000000e-03  2.5009000000e-03
+
+JOB 81
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5591300000e-01  5.5195500000e-01 -6.3539000000e-01 -6.7115400000e-01 -6.0334900000e-01  3.1898900000e-01  1.6830680000e+00 -1.7470600000e+00  1.6610700000e+00  1.0969360000e+00 -1.1825670000e+00  2.1650830000e+00  1.0976900000e+00 -2.2954310000e+00  1.1387160000e+00
+ENERGY -1.526513758472e+02
+FORCES -3.7305000000e-03 -2.5150000000e-04 -1.6035000000e-03  2.7436000000e-03 -2.8369000000e-03  3.0047000000e-03  4.3277000000e-03  1.3762000000e-03  2.0230000000e-04 -5.4243000000e-03  4.6935000000e-03 -4.1783000000e-03  1.2586000000e-03 -4.0429000000e-03 -3.8820000000e-04  8.2490000000e-04  1.0617000000e-03  2.9630000000e-03
+
+JOB 82
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6533000000e-01  6.0887400000e-01 -4.7529600000e-01 -5.7525700000e-01 -4.0446600000e-01  6.4939900000e-01 -1.7374700000e+00  1.7346670000e+00  1.8560770000e+00 -1.2740890000e+00  1.3649950000e+00  2.6076430000e+00 -2.2948610000e+00  1.0220110000e+00  1.5435560000e+00
+ENERGY -1.526518163929e+02
+FORCES -5.9395000000e-03  5.8179000000e-03  3.0473000000e-03  1.7477000000e-03 -4.3227000000e-03 -7.0900000000e-05  7.4750000000e-04  2.1330000000e-04 -1.2649000000e-03  2.1017000000e-03 -4.1227000000e-03  2.1902000000e-03 -2.9416000000e-03  8.1320000000e-04 -3.3455000000e-03  4.2841000000e-03  1.6010000000e-03 -5.5620000000e-04
+
+JOB 83
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9261700000e-01  6.2350800000e-01  2.1852100000e-01  5.7442700000e-01  4.7901900000e-01 -5.9733300000e-01 -1.9193230000e+00 -1.3416570000e+00  1.7663110000e+00 -1.2406150000e+00 -1.6195080000e+00  1.1511810000e+00 -2.3192440000e+00 -2.1576440000e+00  2.0670760000e+00
+ENERGY -1.526600065697e+02
+FORCES -9.4020000000e-04  5.1533000000e-03 -5.8850000000e-04  4.4885000000e-03 -2.4177000000e-03 -2.7079000000e-03 -2.7547000000e-03 -1.1081000000e-03  2.5827000000e-03  3.3405000000e-03 -3.4326000000e-03 -2.3538000000e-03 -6.2719000000e-03 -8.3280000000e-04  4.6015000000e-03  2.1379000000e-03  2.6380000000e-03 -1.5340000000e-03
+
+JOB 84
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+ENERGY -1.526551402603e+02
+FORCES  4.8536000000e-03 -5.3778000000e-03  8.6009000000e-03 -3.2284000000e-03  3.8288000000e-03 -3.6619000000e-03  3.9190000000e-04 -1.4645000000e-03 -2.0618000000e-03  3.8607000000e-03  1.5440000000e-03 -2.0185000000e-03 -2.3663000000e-03  2.6725000000e-03 -3.3885000000e-03 -3.5116000000e-03 -1.2031000000e-03  2.5297000000e-03
+
+JOB 85
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0831600000e-01  7.6258900000e-01  4.8952200000e-01 -7.9401900000e-01 -4.9874100000e-01 -1.9241300000e-01 -1.6205720000e+00  1.8849580000e+00  1.6106530000e+00 -2.3676860000e+00  1.4415500000e+00  2.0124520000e+00 -1.1515220000e+00  2.2791250000e+00  2.3460830000e+00
+ENERGY -1.526602627767e+02
+FORCES -8.5492000000e-03  5.6798000000e-03  4.3743000000e-03  6.8282000000e-03 -4.8214000000e-03 -3.9612000000e-03  2.4115000000e-03  4.4290000000e-04  4.0330000000e-04 -2.2028000000e-03 -9.9910000000e-04  4.8116000000e-03  3.5560000000e-03  2.2869000000e-03 -1.7337000000e-03 -2.0437000000e-03 -2.5890000000e-03 -3.8942000000e-03
+
+JOB 86
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1863300000e-01  4.5489400000e-01 -5.7148700000e-01  4.5200700000e-01  7.0053900000e-01  4.7028400000e-01 -1.6264620000e+00 -1.5922170000e+00 -1.7706190000e+00 -1.0970830000e+00 -2.2633820000e+00 -1.3398910000e+00 -2.1799550000e+00 -2.0786190000e+00 -2.3815940000e+00
+ENERGY -1.526580575256e+02
+FORCES -2.9779000000e-03  3.4505000000e-03 -2.7157000000e-03  4.5426000000e-03  1.2740000000e-03  4.6107000000e-03 -2.1935000000e-03 -2.6081000000e-03 -2.2812000000e-03  2.0381000000e-03 -4.9687000000e-03  1.3822000000e-03 -3.9206000000e-03  9.6150000000e-04 -3.6977000000e-03  2.5114000000e-03  1.8907000000e-03  2.7017000000e-03
+
+JOB 87
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+ENERGY -1.526593150292e+02
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+
+JOB 88
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6204300000e-01 -5.4086900000e-01  5.5479700000e-01  6.0856200000e-01  5.4147100000e-01 -5.0268700000e-01 -1.7316420000e+00  1.7168280000e+00  1.9475080000e+00 -1.0065690000e+00  1.1863020000e+00  1.6172890000e+00 -1.9935370000e+00  2.2562790000e+00  1.2014280000e+00
+ENERGY -1.526591316988e+02
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+
+JOB 89
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3989900000e-01  5.6828100000e-01 -6.9120000000e-01 -7.6966000000e-01 -4.1608900000e-01 -3.8823300000e-01 -1.8796840000e+00 -1.4510130000e+00  1.6292490000e+00 -1.2911400000e+00 -2.0140850000e+00  1.1264590000e+00 -2.3234170000e+00 -2.0463000000e+00  2.2333740000e+00
+ENERGY -1.526537478152e+02
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+
+JOB 90
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7776100000e-01  4.5861000000e-01 -6.1000100000e-01  3.9970000000e-01 -6.9423700000e-01 -5.2393300000e-01  1.7689900000e+00 -1.5705760000e+00  1.7930800000e+00  1.5223600000e+00 -8.6876100000e-01  2.3954600000e+00  2.4044920000e+00 -1.1670910000e+00  1.2018370000e+00
+ENERGY -1.526551011122e+02
+FORCES -3.3670000000e-04 -3.9903000000e-03 -3.4770000000e-03  2.6607000000e-03 -2.3484000000e-03  3.1141000000e-03 -9.2280000000e-04  4.8222000000e-03  1.0270000000e-04 -1.8543000000e-03  8.1379000000e-03 -2.9990000000e-04  2.7493000000e-03 -3.7459000000e-03 -3.4460000000e-04 -2.2961000000e-03 -2.8755000000e-03  9.0470000000e-04
+
+JOB 91
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1967500000e-01  4.7144400000e-01  5.5675400000e-01  4.0683600000e-01 -6.4097800000e-01  5.8297800000e-01  1.5148950000e+00 -1.6470180000e+00 -1.9044050000e+00  1.0402070000e+00 -2.3278380000e+00 -1.4275530000e+00  2.0975080000e+00 -1.2586820000e+00 -1.2517260000e+00
+ENERGY -1.526505576300e+02
+FORCES -6.7900000000e-04 -1.0272000000e-03  3.6106000000e-03  2.7997000000e-03 -2.4907000000e-03 -3.3946000000e-03 -2.6220000000e-04  1.8056000000e-03 -3.5398000000e-03 -3.1265000000e-03  2.9548000000e-03  5.6987000000e-03  2.7725000000e-03  1.9584000000e-03 -9.1570000000e-04 -1.5045000000e-03 -3.2009000000e-03 -1.4591000000e-03
+
+JOB 92
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4629300000e-01 -6.9464300000e-01 -4.8427900000e-01  5.2294600000e-01  1.1336200000e-01  7.9366800000e-01  1.6738170000e+00  1.5020660000e+00 -1.6910780000e+00  2.2578580000e+00  8.7653800000e-01 -1.2623100000e+00  1.0094850000e+00  9.5859500000e-01 -2.1147930000e+00
+ENERGY -1.526483585760e+02
+FORCES  7.3821000000e-03  3.3820000000e-03 -2.7030000000e-04 -4.0870000000e-04  4.6770000000e-03 -6.5590000000e-04 -1.7727000000e-03 -1.6078000000e-03 -3.3663000000e-03 -7.8053000000e-03 -7.6041000000e-03  6.4289000000e-03 -1.3597000000e-03  1.0308000000e-03 -9.8250000000e-04  3.9643000000e-03  1.2210000000e-04 -1.1539000000e-03
+
+JOB 93
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9770500000e-01  4.8634000000e-01  6.5726400000e-01  7.2830300000e-01 -3.8535900000e-01  4.8714000000e-01 -1.6310930000e+00 -1.4792990000e+00  1.8231110000e+00 -1.1156480000e+00 -2.0802200000e+00  1.2851120000e+00 -2.0878740000e+00 -9.2352500000e-01  1.1916850000e+00
+ENERGY -1.526545584223e+02
+FORCES -4.5910000000e-04 -1.9000000000e-03  1.0771100000e-02 -1.2467000000e-03 -1.3957000000e-03 -4.4174000000e-03 -2.3318000000e-03  3.1060000000e-04 -3.2996000000e-03  3.5515000000e-03  9.9590000000e-04 -1.1405400000e-02 -9.1080000000e-04  5.1240000000e-04  4.1647000000e-03  1.3968000000e-03  1.4767000000e-03  4.1866000000e-03
+
+JOB 94
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7064900000e-01  4.6817200000e-01 -3.2116500000e-01 -3.0595300000e-01 -4.5675400000e-01  7.8358200000e-01 -1.6503190000e+00 -1.4715310000e+00  1.8217550000e+00 -2.1982520000e+00 -9.8170100000e-01  2.4349980000e+00 -1.1968770000e+00 -2.1150250000e+00  2.3663070000e+00
+ENERGY -1.526598314340e+02
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+
+JOB 95
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5645800000e-01 -6.2242800000e-01 -3.1285500000e-01 -6.5644200000e-01 -5.4277200000e-01  4.3670800000e-01 -5.4770000000e-02 -2.3701900000e-01  3.2269840000e+00 -6.3771500000e-01  2.3962300000e-01  2.6360370000e+00  4.5606000000e-01  4.4547700000e-01  3.6622800000e+00
+ENERGY -1.526549043628e+02
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+
+JOB 96
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1383200000e-01 -7.2357700000e-01  5.4238200000e-01  5.2634700000e-01  5.3471200000e-01  5.9436800000e-01  1.7571990000e+00 -1.4791640000e+00  1.9128340000e+00  1.2381420000e+00 -1.8962470000e+00  1.2251900000e+00  2.4135180000e+00 -9.6676100000e-01  1.4406900000e+00
+ENERGY -1.526540454607e+02
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+
+JOB 97
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5829200000e-01  5.6926300000e-01  6.1817500000e-01  5.7870000000e-01 -5.3139300000e-01  5.4677200000e-01  1.6522400000e+00 -1.5534760000e+00  1.5774910000e+00  9.7542300000e-01 -2.0695660000e+00  2.0154420000e+00  2.2100290000e+00 -1.2369010000e+00  2.2880420000e+00
+ENERGY -1.526598921962e+02
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+
+JOB 98
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+ENERGY -1.526544017702e+02
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+
+JOB 99
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+ENERGY -1.526538086703e+02
+FORCES -4.7321000000e-03 -1.3449000000e-03  4.8640000000e-04  2.8047000000e-03 -3.2771000000e-03 -1.5442000000e-03  3.4771000000e-03  4.0538000000e-03  7.3180000000e-04  1.7100000000e-03  4.1936000000e-03 -2.1442000000e-03 -2.5629000000e-03  1.8565000000e-03  3.0078000000e-03 -6.9680000000e-04 -5.4818000000e-03 -5.3770000000e-04
+
+JOB 100
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+ENERGY -1.526493060017e+02
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+
+JOB 101
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+ENERGY -1.526615332226e+02
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+
+JOB 102
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+ENERGY -1.526550938158e+02
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+
+JOB 103
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+ENERGY -1.526568341592e+02
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+
+JOB 104
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+ENERGY -1.526613355051e+02
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+
+JOB 105
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+ENERGY -1.526613352153e+02
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+
+JOB 106
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+ENERGY -1.526549531363e+02
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+
+JOB 107
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+ENERGY -1.526574849633e+02
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+JOB 108
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+ENERGY -1.526488556351e+02
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+JOB 109
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+ENERGY -1.526505762704e+02
+FORCES -2.3226000000e-03 -1.2819000000e-03  3.5234000000e-03  2.6710000000e-03  3.9458000000e-03 -2.1840000000e-04 -5.0799000000e-03  1.0362000000e-03 -1.2657000000e-03  7.9971000000e-03 -4.2290000000e-03 -6.9253000000e-03 -9.9850000000e-04  7.2380000000e-04  1.5023000000e-03 -2.2670000000e-03 -1.9490000000e-04  3.3837000000e-03
+
+JOB 110
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9169300000e-01  4.2421400000e-01 -3.3090200000e-01 -3.5635400000e-01 -4.6630600000e-01 -7.5617600000e-01 -1.6285360000e+00 -1.7398430000e+00 -1.5860370000e+00 -9.0609200000e-01 -2.0564050000e+00 -2.1283430000e+00 -2.0210730000e+00 -2.5333990000e+00 -1.2221480000e+00
+ENERGY -1.526577975813e+02
+FORCES -4.9911000000e-03 -3.6732000000e-03 -5.2279000000e-03 -3.3049000000e-03 -2.9154000000e-03 -3.9830000000e-04  9.0381000000e-03  4.5196000000e-03  1.2708000000e-03 -7.3560000000e-04 -5.4680000000e-03  2.9522000000e-03 -1.6630000000e-03  4.6038000000e-03  4.8015000000e-03  1.6565000000e-03  2.9332000000e-03 -3.3983000000e-03
+
+JOB 111
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6055600000e-01  5.9650600000e-01  3.5224800000e-01 -4.3355400000e-01 -4.2987700000e-01 -7.3720300000e-01  1.5152760000e+00  1.6467880000e+00  1.6651220000e+00  1.8528000000e+00  9.6515500000e-01  1.0840150000e+00  2.2922290000e+00  1.9969560000e+00  2.1009630000e+00
+ENERGY -1.526591174697e+02
+FORCES -4.4084000000e-03  3.2113000000e-03  1.0652000000e-03  1.1143000000e-03 -4.3377000000e-03 -3.5337000000e-03  1.5102000000e-03  2.1977000000e-03  3.1629000000e-03  2.0139000000e-03 -4.1252000000e-03 -3.2436000000e-03  2.3918000000e-03  5.1360000000e-03  4.9485000000e-03 -2.6218000000e-03 -2.0820000000e-03 -2.3992000000e-03
+
+JOB 112
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3940200000e-01 -7.0082800000e-01  5.5666700000e-01  5.1899200000e-01  5.4572300000e-01  5.9081800000e-01  1.7232000000e+00 -1.6737670000e+00 -1.4434190000e+00  1.2269070000e+00 -1.0580700000e+00 -9.0412100000e-01  2.3854750000e+00 -1.1344710000e+00 -1.8756030000e+00
+ENERGY -1.526602084000e+02
+FORCES -8.3000000000e-04 -9.6030000000e-04  3.8598000000e-03  4.0003000000e-03  3.5599000000e-03 -3.8769000000e-03 -1.4733000000e-03 -4.0631000000e-03 -4.0724000000e-03 -7.1018000000e-03  1.0362400000e-02  4.1908000000e-03  7.5060000000e-03 -8.1219000000e-03 -2.2268000000e-03 -2.1011000000e-03 -7.7700000000e-04  2.1256000000e-03
+
+JOB 113
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2018200000e-01 -3.8190700000e-01 -7.7060100000e-01 -7.4081700000e-01  4.9431400000e-01 -3.5082200000e-01  1.5162040000e+00 -1.7380000000e+00  1.8034600000e+00  1.0151430000e+00 -1.1642190000e+00  2.3830670000e+00  2.0125490000e+00 -1.1402060000e+00  1.2444280000e+00
+ENERGY -1.526546797176e+02
+FORCES -9.6050000000e-04 -2.3992000000e-03 -4.3607000000e-03 -6.1220000000e-04  3.0059000000e-03  3.3680000000e-03  3.0472000000e-03 -2.7454000000e-03  2.0936000000e-03 -5.0793000000e-03  9.0827000000e-03 -2.7601000000e-03  3.0006000000e-03 -3.2987000000e-03  8.7520000000e-04  6.0430000000e-04 -3.6452000000e-03  7.8400000000e-04
+
+JOB 114
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6491300000e-01 -6.3475400000e-01  2.6685200000e-01  4.6293500000e-01  2.1714800000e-01  8.0917800000e-01  1.4022360000e+00  1.4225770000e+00  2.1241350000e+00  2.1623640000e+00  1.1017760000e+00  2.6094430000e+00  1.7538750000e+00  2.1025860000e+00  1.5495320000e+00
+ENERGY -1.526617042436e+02
+FORCES  2.0682000000e-03  2.2389000000e-03  8.4782000000e-03  2.5743000000e-03  1.9610000000e-03 -5.2900000000e-05 -4.2545000000e-03 -5.1671000000e-03 -8.4750000000e-03  4.3966000000e-03  3.6236000000e-03 -5.7520000000e-04 -3.6797000000e-03  1.4531000000e-03 -2.7716000000e-03 -1.1048000000e-03 -4.1095000000e-03  3.3966000000e-03
+
+JOB 115
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6168700000e-01 -4.4157000000e-01 -5.3237100000e-01 -4.7392500000e-01 -7.1068300000e-01  4.3192200000e-01  1.7022810000e+00  1.7076230000e+00  1.6723990000e+00  2.2849140000e+00  1.2860890000e+00  2.3041260000e+00  1.1951810000e+00  9.8812600000e-01  1.2963590000e+00
+ENERGY -1.526600823730e+02
+FORCES -1.6053000000e-03 -4.4239000000e-03 -3.5725000000e-03 -2.8468000000e-03  2.2367000000e-03  4.5855000000e-03  3.6891000000e-03  3.6995000000e-03 -1.5274000000e-03 -4.8758000000e-03 -6.0231000000e-03 -3.2211000000e-03 -2.5674000000e-03  2.3040000000e-04 -2.8098000000e-03  8.2062000000e-03  4.2804000000e-03  6.5454000000e-03
+
+JOB 116
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1578700000e-01  5.3185100000e-01 -6.0607800000e-01 -5.5763100000e-01 -5.3490900000e-01 -5.6493600000e-01  1.8200880000e+00  1.9121050000e+00 -1.6418730000e+00  1.2931950000e+00  2.5360870000e+00 -2.1411340000e+00  2.1747870000e+00  2.4246880000e+00 -9.1545800000e-01
+ENERGY -1.526612882835e+02
+FORCES  3.3517000000e-03  2.1393000000e-03 -6.6878000000e-03 -6.6643000000e-03 -5.2656000000e-03  6.2709000000e-03  1.7289000000e-03  2.1873000000e-03  1.5194000000e-03  1.9099000000e-03  7.0059000000e-03 -6.9500000000e-05  2.1557000000e-03 -3.4143000000e-03  2.7572000000e-03 -2.4819000000e-03 -2.6525000000e-03 -3.7901000000e-03
+
+JOB 117
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9912600000e-01 -3.6980700000e-01  3.7532900000e-01  3.5727900000e-01  5.5372800000e-01  6.9424000000e-01  1.7186570000e+00  1.9208670000e+00  1.7133520000e+00  1.1505920000e+00  2.6101800000e+00  2.0574160000e+00  2.1363950000e+00  1.5450760000e+00  2.4882770000e+00
+ENERGY -1.526598695488e+02
+FORCES  2.1681000000e-03  3.4576000000e-03  5.2000000000e-03  3.0603000000e-03  1.8668000000e-03 -5.6780000000e-04 -7.3328000000e-03 -6.1745000000e-03 -4.5334000000e-03  3.0722000000e-03  3.6570000000e-03  5.1849000000e-03  1.9006000000e-03 -4.7148000000e-03 -1.6609000000e-03 -2.8684000000e-03  1.9079000000e-03 -3.6228000000e-03
+
+JOB 118
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4326400000e-01  5.4985500000e-01 -4.4732800000e-01  4.5803300000e-01  5.9830700000e-01  5.9031000000e-01 -7.0098000000e-02 -3.1153240000e+00 -1.6637700000e-01 -4.8175100000e-01 -2.3506790000e+00 -5.6898300000e-01 -8.0311200000e-01 -3.6717610000e+00  9.6874000000e-02
+ENERGY -1.526560543112e+02
+FORCES  1.9011000000e-03  5.0656000000e-03  2.9525000000e-03  2.2842000000e-03 -3.9657000000e-03  1.6659000000e-03 -2.5191000000e-03 -1.4759000000e-03 -2.9082000000e-03 -3.4824000000e-03  4.7825000000e-03  1.7400000000e-04 -7.8960000000e-04 -6.8219000000e-03 -1.0074000000e-03  2.6058000000e-03  2.4155000000e-03 -8.7680000000e-04
+
+JOB 119
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5324000000e-01 -5.3691600000e-01  6.5002000000e-01 -5.4744900000e-01 -6.1905400000e-01 -4.8301600000e-01  1.5579130000e+00 -1.7748010000e+00 -1.5504700000e+00  2.3906470000e+00 -1.9311420000e+00 -1.9958280000e+00  1.1698230000e+00 -1.0362010000e+00 -2.0196050000e+00
+ENERGY -1.526557951663e+02
+FORCES  4.4602000000e-03 -9.9391000000e-03  1.4860000000e-04 -3.2215000000e-03  3.7078000000e-03  2.1700000000e-05  1.9950000000e-03  3.9375000000e-03 -7.4000000000e-04  7.2300000000e-05  6.1901000000e-03 -1.5032000000e-03 -3.2935000000e-03  1.7432000000e-03  2.4014000000e-03 -1.2500000000e-05 -5.6396000000e-03 -3.2840000000e-04
+
+JOB 120
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3892300000e-01  5.3742200000e-01  2.8531200000e-01 -3.8101300000e-01 -6.2254300000e-01 -6.1927500000e-01  1.6200820000e+00  1.8349110000e+00 -1.9162080000e+00  8.3322500000e-01  1.4403790000e+00 -1.5401330000e+00  2.0677550000e+00  2.2349540000e+00 -1.1706980000e+00
+ENERGY -1.526583187279e+02
+FORCES -4.5673000000e-03 -4.1839000000e-03  1.2651000000e-03  4.7010000000e-03 -1.3340000000e-03 -3.0206000000e-03  1.8102000000e-03  4.5552000000e-03  2.4504000000e-03 -2.2979000000e-03 -3.9935000000e-03  8.5995000000e-03  1.4461000000e-03  5.0256000000e-03 -6.2080000000e-03 -1.0922000000e-03 -6.9300000000e-05 -3.0863000000e-03
+
+JOB 121
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4877400000e-01 -5.9077700000e-01  5.1581100000e-01  6.1749200000e-01  4.8254700000e-01 -5.4962200000e-01 -1.7351480000e+00 -1.7577680000e+00  1.5840660000e+00 -2.4154040000e+00 -2.1073460000e+00  2.1596340000e+00 -1.1104110000e+00 -1.3401520000e+00  2.1769670000e+00
+ENERGY -1.526516854137e+02
+FORCES  3.9866000000e-03 -2.4617000000e-03 -6.9930000000e-04 -2.2841000000e-03  3.7751000000e-03  1.7030000000e-04 -3.3564000000e-03 -2.2433000000e-03  2.1617000000e-03 -5.5510000000e-04  2.5004000000e-03  4.1408000000e-03  2.6553000000e-03  1.8257000000e-03 -2.9854000000e-03 -4.4640000000e-04 -3.3963000000e-03 -2.7880000000e-03
+
+JOB 122
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3512100000e-01 -2.1458500000e-01 -6.8323200000e-01 -5.5937700000e-01 -7.7446300000e-01  5.9469000000e-02  1.9921300000e-01 -3.0792500000e-01  3.1290520000e+00 -1.4984500000e-01 -8.6718300000e-01  3.8230420000e+00  7.7220500000e-01  3.0944900000e-01  3.5837610000e+00
+ENERGY -1.526522732781e+02
+FORCES -5.4000000000e-05 -5.2436000000e-03  5.3990000000e-04 -2.2127000000e-03  1.1965000000e-03  3.0236000000e-03  1.5733000000e-03  2.9246000000e-03 -2.1093000000e-03  1.9610000000e-03  2.1447000000e-03  3.8920000000e-03  1.0843000000e-03  1.9281000000e-03 -4.0238000000e-03 -2.3519000000e-03 -2.9504000000e-03 -1.3225000000e-03
+
+JOB 123
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9943300000e-01  2.6927300000e-01 -6.9599100000e-01  6.5894000000e-01 -5.3377300000e-01 -4.4397800000e-01  1.7763920000e+00 -1.5258630000e+00  1.3272050000e+00  1.1249250000e+00 -1.0556880000e+00  1.8475470000e+00  2.3531110000e+00 -1.9316700000e+00  1.9744670000e+00
+ENERGY -1.526599336386e+02
+FORCES  3.9100000000e-03 -3.6515000000e-03 -2.4299000000e-03  3.1092000000e-03 -1.7813000000e-03  1.9820000000e-03 -5.6176000000e-03  4.3588000000e-03 -5.6450000000e-04 -3.7257000000e-03  3.0777000000e-03  2.8091000000e-03  5.4154000000e-03 -4.1384000000e-03 -6.8600000000e-05 -3.0913000000e-03  2.1348000000e-03 -1.7281000000e-03
+
+JOB 124
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6744700000e-01  6.2641200000e-01  2.7991600000e-01 -3.7690100000e-01 -4.2372500000e-01 -7.7112600000e-01  1.6005600000e+00 -1.5429310000e+00  1.6149040000e+00  2.1723550000e+00 -2.2150890000e+00  1.2441150000e+00  1.2006970000e+00 -1.1216300000e+00  8.5408400000e-01
+ENERGY -1.526593744820e+02
+FORCES -2.2110000000e-03 -2.0650000000e-04  4.3929000000e-03  1.9120000000e-03 -2.7374000000e-03 -3.5293000000e-03  2.5085000000e-03  1.4039000000e-03  4.2096000000e-03 -5.5803000000e-03  6.3101000000e-03 -6.8606000000e-03 -3.0649000000e-03  2.7216000000e-03 -6.7900000000e-04  6.4356000000e-03 -7.4918000000e-03  2.4665000000e-03
+
+JOB 125
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2580300000e-01 -5.1076500000e-01 -6.1553400000e-01 -6.0253100000e-01  4.9667100000e-01 -5.5363100000e-01  1.6319010000e+00 -1.8114740000e+00  1.5050170000e+00  1.1155060000e+00 -1.1820640000e+00  2.0084170000e+00  2.1898700000e+00 -1.2712000000e+00  9.4554700000e-01
+ENERGY -1.526557044274e+02
+FORCES  1.1880000000e-04 -3.2046000000e-03 -4.0379000000e-03 -4.1620000000e-04  4.4861000000e-03  2.0045000000e-03  2.7330000000e-03 -2.9758000000e-03  2.4485000000e-03 -4.1495000000e-03  8.8646000000e-03 -6.8880000000e-04  3.7460000000e-03 -4.0262000000e-03  8.8860000000e-04 -2.0321000000e-03 -3.1440000000e-03 -6.1500000000e-04
+
+JOB 126
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7803600000e-01  6.0092400000e-01 -5.7149300000e-01  4.3270200000e-01  5.6810800000e-01  6.3738100000e-01  1.7725990000e+00 -1.6627280000e+00  1.7751270000e+00  1.2496620000e+00 -9.8135900000e-01  2.1976270000e+00  1.1474420000e+00 -2.1430390000e+00  1.2322530000e+00
+ENERGY -1.526550831223e+02
+FORCES  1.5473000000e-03  5.0632000000e-03 -4.7560000000e-04  2.6422000000e-03 -2.6248000000e-03  2.5796000000e-03 -3.3559000000e-03 -3.0841000000e-03 -4.6040000000e-04 -7.4720000000e-03  8.1860000000e-04 -3.9860000000e-03  2.8627000000e-03  3.2810000000e-04 -1.5547000000e-03  3.7757000000e-03 -5.0100000000e-04  3.8972000000e-03
+
+JOB 127
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2514200000e-01  2.1686700000e-01 -4.3398300000e-01 -2.2876700000e-01 -6.9527100000e-01  6.1684400000e-01 -2.2148990000e+00  1.4533850000e+00  1.9190730000e+00 -1.5707260000e+00  9.4874700000e-01  2.4156750000e+00 -1.7011510000e+00  2.1291840000e+00  1.4768180000e+00
+ENERGY -1.526564223354e+02
+FORCES -6.6467000000e-03 -2.5784000000e-03  4.2720000000e-04  4.7076000000e-03 -3.0240000000e-04  7.6110000000e-04  1.7830000000e-03  3.1425000000e-03 -1.2733000000e-03  7.3589000000e-03  1.4186000000e-03  2.0580000000e-04 -3.5378000000e-03  5.4360000000e-04 -1.4639000000e-03 -3.6650000000e-03 -2.2239000000e-03  1.3431000000e-03
+
+JOB 128
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5316000000e-01  6.7805400000e-01  5.7597900000e-01  2.2762300000e-01  4.6410900000e-01 -8.0561900000e-01  1.5919350000e+00  1.8394760000e+00  1.3563250000e+00  2.0879650000e+00  1.1427440000e+00  9.2649800000e-01  2.2454440000e+00  2.3222420000e+00  1.8623830000e+00
+ENERGY -1.526583119819e+02
+FORCES  1.7000000000e-06  9.2275000000e-03  2.7073000000e-03 -1.2164000000e-03 -4.6722000000e-03 -3.5373000000e-03  8.3730000000e-04 -2.6317000000e-03  2.8932000000e-03  2.5174000000e-03 -4.6758000000e-03 -1.1571000000e-03  3.1400000000e-04  5.9050000000e-03  1.7172000000e-03 -2.4540000000e-03 -3.1529000000e-03 -2.6233000000e-03
+
+JOB 129
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1736400000e-01 -4.1261600000e-01  6.0402100000e-01  5.2564300000e-01  5.7872300000e-01  5.5227900000e-01  1.5127860000e+00  1.5525640000e+00  1.6340680000e+00  8.2844400000e-01  2.0526390000e+00  2.0788520000e+00  2.0536420000e+00  2.2153340000e+00  1.2046000000e+00
+ENERGY -1.526595173537e+02
+FORCES  9.3671000000e-03  7.0934000000e-03  1.0998800000e-02  1.8934000000e-03  2.5146000000e-03 -7.0210000000e-04 -8.3853000000e-03 -3.7974000000e-03 -5.6552000000e-03 -1.7568000000e-03  1.4800000000e-03 -3.1476000000e-03  2.6675000000e-03 -4.0878000000e-03 -4.0774000000e-03 -3.7860000000e-03 -3.2028000000e-03  2.5836000000e-03
+
+JOB 130
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8863500000e-01 -1.5498700000e-01  8.0836000000e-01  4.3637000000e-02 -8.3261600000e-01 -4.7018900000e-01  1.6303330000e+00  1.6774860000e+00 -1.4113230000e+00  1.0969070000e+00  2.0986420000e+00 -2.0853530000e+00  1.1614070000e+00  8.6903900000e-01 -1.2045500000e+00
+ENERGY -1.526569070197e+02
+FORCES  3.3194000000e-03  1.2007000000e-03  3.6912000000e-03 -2.6152000000e-03 -2.4250000000e-04 -4.9325000000e-03  2.6994000000e-03  7.3666000000e-03 -1.2700000000e-04 -1.1434600000e-02 -6.7371000000e-03  6.2464000000e-03  1.2607000000e-03 -2.0586000000e-03  2.0058000000e-03  6.7703000000e-03  4.7090000000e-04 -6.8839000000e-03
+
+JOB 131
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+ENERGY -1.526596180179e+02
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+
+JOB 132
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+
+JOB 133
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+
+JOB 134
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+
+JOB 135
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+
+JOB 136
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+
+JOB 137
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+JOB 138
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+JOB 139
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+JOB 140
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+JOB 141
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+JOB 142
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+JOB 143
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+JOB 144
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+JOB 145
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+JOB 146
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+JOB 147
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+JOB 148
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+JOB 149
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+JOB 150
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+JOB 151
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+JOB 152
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+JOB 153
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+JOB 154
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+JOB 155
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+JOB 156
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+JOB 157
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+JOB 158
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+
+JOB 159
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+JOB 160
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+JOB 161
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+JOB 162
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+JOB 163
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+JOB 164
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+JOB 165
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+JOB 166
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+JOB 167
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+JOB 168
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+JOB 169
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+JOB 170
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+JOB 171
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+JOB 172
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+JOB 173
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+JOB 174
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+JOB 175
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+
+JOB 176
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+
+JOB 177
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+
+JOB 178
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+
+JOB 179
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+
+JOB 180
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+
+JOB 181
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+
+JOB 182
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+
+JOB 183
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+
+JOB 184
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+JOB 185
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+JOB 186
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+JOB 187
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+JOB 188
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+JOB 189
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+JOB 190
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+JOB 191
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+JOB 192
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+JOB 193
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+JOB 194
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+JOB 195
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+JOB 196
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+JOB 197
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+ENERGY -1.526608153903e+02
+FORCES -4.0224000000e-03 -6.3864000000e-03 -3.3043000000e-03 -1.3930000000e-03  1.9632000000e-03 -1.8479000000e-03  7.4448000000e-03  4.6576000000e-03  5.1084000000e-03 -4.0182000000e-03 -4.8960000000e-04 -4.9021000000e-03 -1.6157000000e-03  2.9724000000e-03  3.6322000000e-03  3.6045000000e-03 -2.7172000000e-03  1.3137000000e-03
+
+JOB 198
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0563800000e-01 -2.9906400000e-01  4.2159200000e-01 -4.5212100000e-01 -8.0516200000e-01 -2.5205700000e-01 -1.4434040000e+00 -1.4593590000e+00  2.0996860000e+00 -9.8203000000e-01 -2.1863590000e+00  1.6815510000e+00 -2.2377860000e+00 -1.8542750000e+00  2.4591710000e+00
+ENERGY -1.526503247689e+02
+FORCES -2.3126000000e-03 -4.9004000000e-03  5.4978000000e-03 -2.8080000000e-03  3.8590000000e-04 -2.3726000000e-03  3.2105000000e-03  1.0978000000e-03 -3.9520000000e-04 -6.2430000000e-04 -3.2842000000e-03 -6.7600000000e-05 -1.1625000000e-03  4.2160000000e-03 -3.9160000000e-04  3.6968000000e-03  2.4850000000e-03 -2.2709000000e-03
+
+JOB 199
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3913600000e-01  4.4966000000e-01 -6.5066900000e-01 -6.5695600000e-01 -4.6841200000e-01 -5.1500600000e-01  1.7186380000e+00  1.4895770000e+00 -1.4617620000e+00  1.2396680000e+00  1.9000110000e+00 -2.1817370000e+00  2.3516600000e+00  2.1524730000e+00 -1.1859310000e+00
+ENERGY -1.526589463863e+02
+FORCES  9.0764000000e-03  6.4036000000e-03 -7.2120000000e-03 -8.6366000000e-03 -5.3293000000e-03  1.2161000000e-03  2.8950000000e-03  2.9528000000e-03 -2.5510000000e-04 -1.8190000000e-03  1.0811000000e-03  5.3184000000e-03  1.4379000000e-03 -3.0503000000e-03  4.5005000000e-03 -2.9537000000e-03 -2.0579000000e-03 -3.5678000000e-03
+
+JOB 200
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3300400000e-01 -3.4543000000e-01 -3.2095900000e-01  2.4184600000e-01  5.6991500000e-01  7.3002700000e-01 -1.6185790000e+00 -1.6826090000e+00 -1.7732550000e+00 -2.2179660000e+00 -1.0150920000e+00 -1.4395060000e+00 -1.2672390000e+00 -2.1035520000e+00 -9.8865400000e-01
+ENERGY -1.526559031105e+02
+FORCES  5.1134000000e-03  5.3220000000e-04 -1.3829000000e-03 -3.3887000000e-03  1.0773000000e-03  3.1257000000e-03 -1.7491000000e-03 -2.6702000000e-03 -3.6671000000e-03  1.5791000000e-03  6.1042000000e-03  8.6533000000e-03 -6.4240000000e-04 -3.4976000000e-03 -2.7370000000e-03 -9.1230000000e-04 -1.5459000000e-03 -3.9919000000e-03
+
+JOB 201
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1596000000e-01  4.8557700000e-01  5.4867200000e-01 -4.9200700000e-01 -1.9635200000e-01 -7.9725000000e-01  4.7236000000e-02 -3.1143680000e+00  2.8498000000e-02 -5.2632000000e-01 -2.6260990000e+00  6.1914100000e-01  4.9611900000e-01 -2.4402990000e+00 -4.8176500000e-01
+ENERGY -1.526565027390e+02
+FORCES -4.3868000000e-03  3.1359000000e-03 -7.5790000000e-04  2.4025000000e-03 -2.9758000000e-03 -2.4669000000e-03  3.3043000000e-03 -1.2505000000e-03  4.2954000000e-03  1.3497000000e-03  9.1979000000e-03  2.5681000000e-03 -4.8030000000e-04 -3.9716000000e-03 -1.7183000000e-03 -2.1894000000e-03 -4.1361000000e-03 -1.9204000000e-03
+
+JOB 202
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1693000000e-01  5.7374500000e-01  5.6553700000e-01 -6.4267300000e-01 -4.0613000000e-01 -5.8160300000e-01  1.4053000000e+00  1.3804910000e+00 -1.9366980000e+00  7.5467900000e-01  1.8271190000e+00 -2.4784070000e+00  8.9803500000e-01  9.9102200000e-01 -1.2244980000e+00
+ENERGY -1.526595248016e+02
+FORCES -2.6625000000e-03  1.6200000000e-05 -8.1940000000e-04  2.6858000000e-03 -2.4440000000e-03 -4.7272000000e-03  3.8709000000e-03  4.5970000000e-03  2.2544000000e-03 -7.6611000000e-03 -5.8534000000e-03  9.8939000000e-03  7.1780000000e-04 -2.3297000000e-03  2.6333000000e-03  3.0491000000e-03  6.0138000000e-03 -9.2350000000e-03
+
+JOB 203
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7388000000e-01 -5.1499600000e-01 -4.4373100000e-01 -3.3272100000e-01  5.9195400000e-01 -6.7462500000e-01  1.7654300000e+00  1.5118670000e+00 -1.8203640000e+00  2.3367450000e+00  2.2416560000e+00 -2.0596100000e+00  1.2818790000e+00  1.3128120000e+00 -2.6221040000e+00
+ENERGY -1.526542465290e+02
+FORCES  6.9392000000e-03  4.9029000000e-03 -6.2963000000e-03 -4.0962000000e-03 -9.7450000000e-04  1.6840000000e-03 -2.1134000000e-03 -3.3583000000e-03  1.1541000000e-03  1.5635000000e-03  3.0460000000e-03 -2.9567000000e-03 -2.8456000000e-03 -3.4457000000e-03  9.9750000000e-04  5.5250000000e-04 -1.7040000000e-04  5.4173000000e-03
+
+JOB 204
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5881900000e-01  6.6814800000e-01  5.0921100000e-01 -6.5508700000e-01 -3.2159200000e-01 -6.1941200000e-01 -1.9289420000e+00  1.4374660000e+00  1.5800540000e+00 -2.2756510000e+00  2.0343990000e+00  9.1695900000e-01 -2.7052370000e+00  1.0864180000e+00  2.0163600000e+00
+ENERGY -1.526587709687e+02
+FORCES -9.4650000000e-03  3.4931000000e-03  5.5966000000e-03  5.8235000000e-03 -5.5030000000e-04 -6.9399000000e-03  1.9629000000e-03  1.0380000000e-03  1.2375000000e-03 -3.9628000000e-03 -2.2034000000e-03  7.1370000000e-04  3.0548000000e-03 -4.7584000000e-03  2.0158000000e-03  2.5866000000e-03  2.9810000000e-03 -2.6236000000e-03
+
+JOB 205
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5642200000e-01  6.1688600000e-01  4.7547600000e-01  5.9522800000e-01  5.5386000000e-01 -5.0514800000e-01  2.0368480000e+00  1.4838280000e+00  1.7982750000e+00  2.7642020000e+00  1.5042980000e+00  2.4201820000e+00  2.3920840000e+00  1.0402400000e+00  1.0280350000e+00
+ENERGY -1.526542023311e+02
+FORCES -9.0100000000e-05  6.8085000000e-03  3.1894000000e-03  4.8760000000e-04 -3.2405000000e-03 -3.5050000000e-03  2.0580000000e-04 -3.0545000000e-03  2.1887000000e-03  3.8181000000e-03 -3.9864000000e-03 -4.2740000000e-04 -3.2422000000e-03 -5.2010000000e-04 -2.6544000000e-03 -1.1792000000e-03  3.9929000000e-03  1.2087000000e-03
+
+JOB 206
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7183800000e-01 -3.4943900000e-01  1.8445400000e-01  1.5510800000e-01  7.2443500000e-01 -6.0610800000e-01 -7.0566000000e-02 -3.4646470000e+00 -1.7215300000e-01 -4.7474700000e-01 -2.8554750000e+00  4.4572900000e-01  5.7510500000e-01 -2.9368100000e+00 -6.4197100000e-01
+ENERGY -1.526555073298e+02
+FORCES  3.7630000000e-03  4.0720000000e-03 -1.9817000000e-03 -4.5306000000e-03 -4.6220000000e-04 -1.4799000000e-03 -2.4650000000e-04 -3.2787000000e-03  2.7468000000e-03 -1.1545000000e-03  6.5550000000e-03 -2.6310000000e-04  2.7326000000e-03 -4.3720000000e-03 -1.3101000000e-03 -5.6390000000e-04 -2.5141000000e-03  2.2880000000e-03
+
+JOB 207
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4919600000e-01 -7.3111700000e-01 -5.6533200000e-01 -8.6391800000e-01 -2.3958700000e-01  3.3537300000e-01  1.5927480000e+00 -1.8451140000e+00  1.2038610000e+00  2.0181980000e+00 -1.2398650000e+00  5.9649100000e-01  9.8165500000e-01 -2.3414620000e+00  6.5940300000e-01
+ENERGY -1.526455697327e+02
+FORCES  1.3181000000e-03 -9.3741000000e-03  6.7715000000e-03  2.7212000000e-03 -8.3600000000e-05  3.2453000000e-03  3.2621000000e-03  6.2630000000e-04 -2.4364000000e-03 -7.2661000000e-03  1.0415000000e-02 -6.4936000000e-03 -6.8970000000e-04 -4.3564000000e-03 -6.4760000000e-04  6.5440000000e-04  2.7728000000e-03 -4.3920000000e-04
+
+JOB 208
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0094800000e-01  4.8575300000e-01  6.5523000000e-01  2.9392200000e-01  6.6705100000e-01 -6.2039100000e-01 -3.4843190000e+00  4.6226000000e-02 -6.4804000000e-02 -4.1958200000e+00  5.5487900000e-01  3.2413100000e-01 -3.1555080000e+00 -4.9454600000e-01  6.5330500000e-01
+ENERGY -1.526544241832e+02
+FORCES -2.6182000000e-03  5.6213000000e-03 -1.6623000000e-03  2.6689000000e-03 -2.8526000000e-03 -9.6320000000e-04 -1.4560000000e-04 -2.5584000000e-03  2.7425000000e-03 -2.0565000000e-03 -2.1003000000e-03  3.6978000000e-03  3.6713000000e-03 -1.7886000000e-03 -1.6595000000e-03 -1.5199000000e-03  3.6787000000e-03 -2.1554000000e-03
+
+JOB 209
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9662400000e-01  1.5683300000e-01  6.3745600000e-01 -2.2732000000e-02  7.6592800000e-01 -5.7364600000e-01 -1.6934630000e+00 -1.5823710000e+00  1.4285340000e+00 -1.3673070000e+00 -2.2433560000e+00  8.1783700000e-01 -2.2641580000e+00 -1.0263460000e+00  8.9808600000e-01
+ENERGY -1.526535266237e+02
+FORCES -3.3367000000e-03 -1.4529000000e-03  6.5415000000e-03 -1.5007000000e-03  2.5300000000e-03 -6.3131000000e-03 -2.2601000000e-03 -4.0498000000e-03  3.2029000000e-03  4.9636000000e-03 -8.2290000000e-04 -1.0365100000e-02 -3.3639000000e-03  1.0604000000e-03  3.8333000000e-03  5.4978000000e-03  2.7352000000e-03  3.1006000000e-03
+
+JOB 210
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3587500000e-01 -8.7723900000e-01  3.5808000000e-01 -5.4944600000e-01 -1.3816900000e-01 -7.7152500000e-01 -1.9552540000e+00 -1.7593590000e+00 -1.6844650000e+00 -2.3794790000e+00 -1.1131230000e+00 -2.2489510000e+00 -2.6496140000e+00 -2.0573600000e+00 -1.0968500000e+00
+ENERGY -1.526584932613e+02
+FORCES -4.0441000000e-03 -8.2825000000e-03 -4.2845000000e-03  5.7620000000e-04  3.4170000000e-03  9.0770000000e-04  2.9395000000e-03  6.0594000000e-03  2.2870000000e-03 -6.2643000000e-03 -6.6640000000e-04  1.4260000000e-04  3.3997000000e-03 -1.8154000000e-03  3.8693000000e-03  3.3929000000e-03  1.2880000000e-03 -2.9221000000e-03
+
+JOB 211
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3067900000e-01 -4.5044700000e-01 -6.5704600000e-01 -4.4668100000e-01 -7.0341400000e-01  4.7108100000e-01  1.6370890000e+00  1.5870840000e+00 -1.9209030000e+00  2.1960360000e+00  9.5838600000e-01 -1.4642320000e+00  2.2441880000e+00  2.1169370000e+00 -2.4375430000e+00
+ENERGY -1.526522485081e+02
+FORCES -5.4380000000e-04 -3.8426000000e-03 -2.7347000000e-03  6.4710000000e-04  1.3687000000e-03  4.3866000000e-03  1.7883000000e-03  3.5268000000e-03 -2.1836000000e-03  4.8114000000e-03  9.5810000000e-04  1.2548000000e-03 -3.7206000000e-03 -9.4000000000e-06 -3.2737000000e-03 -2.9825000000e-03 -2.0015000000e-03  2.5505000000e-03
+
+JOB 212
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+ENERGY -1.526574082941e+02
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+
+JOB 213
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+ENERGY -1.526527213469e+02
+FORCES  7.0190000000e-04  2.4130000000e-03  2.5485000000e-03  2.0928000000e-03  8.8780000000e-04 -4.3318000000e-03 -2.2887000000e-03 -1.9569000000e-03  3.1918000000e-03  1.0278000000e-03  3.1337000000e-03  2.1657000000e-03  2.9393000000e-03 -2.1591000000e-03 -3.4169000000e-03 -4.4731000000e-03 -2.3185000000e-03 -1.5720000000e-04
+
+JOB 214
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+ENERGY -1.526601545869e+02
+FORCES  7.6658000000e-03  6.1603000000e-03  1.0280700000e-02  1.3929000000e-03  1.5210000000e-03 -1.3753000000e-03 -6.8869000000e-03 -3.1014000000e-03 -5.7126000000e-03 -7.0650000000e-04 -3.0526000000e-03  6.8740000000e-04  2.3474000000e-03 -4.4335000000e-03 -2.1942000000e-03 -3.8127000000e-03  2.9062000000e-03 -1.6861000000e-03
+
+JOB 215
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+ENERGY -1.526609078433e+02
+FORCES -6.6550000000e-04  1.4356000000e-03  4.2941000000e-03  1.3801000000e-03  3.7508000000e-03 -5.4550000000e-03 -8.4660000000e-04 -4.3723000000e-03 -1.0187000000e-03  7.4631000000e-03  5.6822000000e-03  6.7770000000e-04 -7.1539000000e-03 -6.5822000000e-03 -1.4126000000e-03 -1.7720000000e-04  8.5900000000e-05  2.9145000000e-03
+
+JOB 216
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+ENERGY -1.526605757615e+02
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+
+JOB 217
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+ENERGY -1.526530522896e+02
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+
+JOB 218
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+ENERGY -1.526571843899e+02
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+JOB 219
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+ENERGY -1.526494341599e+02
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+
+JOB 220
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+
+JOB 221
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+
+JOB 222
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+
+JOB 223
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+
+JOB 224
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+
+JOB 225
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+
+JOB 226
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+
+JOB 227
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+
+JOB 228
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+
+JOB 229
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+JOB 230
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+JOB 231
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+JOB 232
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+
+JOB 233
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+JOB 234
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+JOB 235
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+JOB 236
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+JOB 237
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+JOB 238
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+ENERGY -1.526526063365e+02
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+JOB 239
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+JOB 240
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+JOB 241
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+ENERGY -1.526597472000e+02
+FORCES  3.4954000000e-03 -3.4504000000e-03  7.6406000000e-03 -4.7756000000e-03  3.7171000000e-03 -4.9328000000e-03  8.7420000000e-04  1.5203000000e-03 -2.6995000000e-03  4.3097000000e-03 -3.9656000000e-03  1.1372000000e-03 -1.4353000000e-03  3.5579000000e-03  2.4647000000e-03 -2.4685000000e-03 -1.3792000000e-03 -3.6102000000e-03
+
+JOB 242
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0708500000e-01  4.9063200000e-01  4.1897900000e-01  4.5852800000e-01  6.4867000000e-01 -5.3405100000e-01  1.5376760000e+00 -1.7789700000e+00  1.9081990000e+00  2.1306140000e+00 -1.2302340000e+00  2.4215660000e+00  1.5263110000e+00 -1.3739840000e+00  1.0409680000e+00
+ENERGY -1.526573665745e+02
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+
+JOB 243
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4259500000e-01  2.6210900000e-01 -6.5924400000e-01 -6.0429500000e-01 -5.7519100000e-01 -4.6927100000e-01 -2.0355630000e+00  1.2734520000e+00 -2.4360740000e+00 -2.3922920000e+00  2.0665400000e+00 -2.8360590000e+00 -1.8077240000e+00  1.5360690000e+00 -1.5442480000e+00
+ENERGY -1.526582540313e+02
+FORCES  1.5742000000e-03 -3.6492000000e-03 -5.2007000000e-03 -2.7179000000e-03 -3.7130000000e-04  3.5083000000e-03  2.3844000000e-03  3.3772000000e-03  3.1770000000e-03 -1.0763000000e-03  4.7949000000e-03  2.3668000000e-03  1.6936000000e-03 -2.9522000000e-03  1.9124000000e-03 -1.8580000000e-03 -1.1995000000e-03 -5.7638000000e-03
+
+JOB 244
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3642800000e-01  2.2011700000e-01  6.8025000000e-01  3.1443400000e-01  8.4652100000e-01 -3.1743400000e-01 -1.9149340000e+00 -1.1543820000e+00 -2.1013710000e+00 -2.5457850000e+00 -1.1044230000e+00 -2.8195370000e+00 -1.4612000000e+00 -3.1179500000e-01 -2.1214610000e+00
+ENERGY -1.526544262431e+02
+FORCES -1.3612000000e-03  2.4450000000e-03  4.3435000000e-03  3.3326000000e-03 -1.5490000000e-04 -3.0431000000e-03 -2.8665000000e-03 -4.2538000000e-03 -6.3970000000e-04  2.1620000000e-03  3.7683000000e-03 -9.2140000000e-04  2.9015000000e-03  2.5380000000e-04  3.5255000000e-03 -4.1684000000e-03 -2.0585000000e-03 -3.2648000000e-03
+
+JOB 245
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2871100000e-01 -7.0972900000e-01  4.7825000000e-01 -2.0297700000e-01  7.8699700000e-01  5.0563600000e-01  1.8892780000e+00 -1.7012130000e+00 -7.1203200000e-01  2.2428380000e+00 -1.7369780000e+00 -1.6008210000e+00  1.2439430000e+00 -9.9476900000e-01 -7.3871400000e-01
+ENERGY -1.526594565803e+02
+FORCES  5.8637000000e-03 -3.6162000000e-03  1.7327000000e-03  2.5378000000e-03  4.4956000000e-03 -2.9528000000e-03 -8.0010000000e-04 -4.4894000000e-03 -1.0727000000e-03 -7.6973000000e-03  1.0417000000e-02  1.7708000000e-03 -2.1646000000e-03  1.9809000000e-03  2.6113000000e-03  2.2606000000e-03 -8.7880000000e-03 -2.0893000000e-03
+
+JOB 246
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2975600000e-01 -7.3837500000e-01 -5.1214800000e-01  7.2011400000e-01  2.2377600000e-01  5.8956900000e-01 -2.3657130000e+00  1.1849260000e+00 -1.1760520000e+00 -1.4224780000e+00  1.1010320000e+00 -1.3157000000e+00 -2.6804920000e+00  1.6620290000e+00 -1.9438530000e+00
+ENERGY -1.526574493103e+02
+FORCES  3.3037000000e-03 -2.8292000000e-03  2.8872000000e-03 -1.5142000000e-03  4.5562000000e-03  1.4873000000e-03 -3.1111000000e-03 -1.5579000000e-03 -2.8303000000e-03  5.8235000000e-03 -3.3910000000e-04  3.2080000000e-04 -6.7588000000e-03  2.3089000000e-03 -4.8453000000e-03  2.2570000000e-03 -2.1389000000e-03  2.9802000000e-03
+
+JOB 247
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3465700000e-01 -4.2128700000e-01  4.4612600000e-01  2.5264400000e-01  7.1857800000e-01  5.7969700000e-01 -1.6936130000e+00 -1.3117490000e+00  1.6019400000e+00 -2.4037110000e+00 -9.1665300000e-01  2.1077970000e+00 -1.2063400000e+00 -1.8336390000e+00  2.2394570000e+00
+ENERGY -1.526593320447e+02
+FORCES -1.0761400000e-02 -6.1652000000e-03  1.1530300000e-02  5.0090000000e-03  4.0919000000e-03 -5.8143000000e-03 -8.3870000000e-04 -2.0178000000e-03 -9.8500000000e-04  5.7504000000e-03  2.7130000000e-03 -1.1171000000e-03  4.6584000000e-03 -1.8753000000e-03 -1.6349000000e-03 -3.8176000000e-03  3.2535000000e-03 -1.9789000000e-03
+
+JOB 248
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9986600000e-01 -3.3275500000e-01  8.0350000000e-01  1.9252500000e-01 -6.6774700000e-01 -6.5824000000e-01  1.8685850000e+00 -1.3902320000e+00 -1.4446680000e+00  1.6686410000e+00 -2.0376470000e+00 -7.6857000000e-01  2.4466750000e+00 -7.6196400000e-01 -1.0118600000e+00
+ENERGY -1.526531184857e+02
+FORCES  8.7024000000e-03 -7.7946000000e-03 -7.0878000000e-03  4.1810000000e-04  3.6450000000e-04 -3.5354000000e-03 -3.7705000000e-03 -3.9340000000e-04  6.6054000000e-03  8.3570000000e-04  5.9861000000e-03  7.5008000000e-03 -3.8747000000e-03  6.2763000000e-03 -2.0216000000e-03 -2.3111000000e-03 -4.4390000000e-03 -1.4613000000e-03
+
+JOB 249
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6447400000e-01  6.0684200000e-01  4.7889900000e-01 -6.0394200000e-01 -5.2904500000e-01 -5.2115000000e-01  1.7231750000e+00 -1.4583850000e+00 -1.5916590000e+00  1.5381750000e+00 -8.5279500000e-01 -8.7383800000e-01  2.6085550000e+00 -1.2308240000e+00 -1.8754740000e+00
+ENERGY -1.526608115955e+02
+FORCES -2.4674000000e-03 -1.0020000000e-03 -2.0363000000e-03  8.7890000000e-04 -3.0305000000e-03 -2.8714000000e-03  2.8428000000e-03  3.5063000000e-03  3.9578000000e-03 -8.3090000000e-04  6.2914000000e-03  5.0467000000e-03  2.4324000000e-03 -5.8733000000e-03 -5.8404000000e-03 -2.8558000000e-03  1.0800000000e-04  1.7437000000e-03
+
+JOB 250
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7736000000e-01 -3.3929300000e-01 -5.8506100000e-01  4.5602300000e-01  6.3494100000e-01  5.5238100000e-01  2.1418740000e+00  1.7223470000e+00  1.4136470000e+00  1.3847650000e+00  2.2016710000e+00  1.7501950000e+00  2.4737710000e+00  2.2679630000e+00  7.0064000000e-01
+ENERGY -1.526577443155e+02
+FORCES  9.7472000000e-03  1.9129000000e-03  2.3601000000e-03 -3.0932000000e-03  8.0680000000e-04  6.4580000000e-04 -7.9320000000e-03 -1.4110000000e-04 -1.9060000000e-03  1.5491000000e-03  6.2702000000e-03 -1.0290000000e-04  1.9660000000e-03 -5.4312000000e-03 -4.2331000000e-03 -2.2372000000e-03 -3.4176000000e-03  3.2362000000e-03
+
+JOB 251
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7366100000e-01 -4.2621400000e-01  3.6881200000e-01 -2.5872800000e-01  9.1523100000e-01 -1.0791000000e-01  2.1469180000e+00 -1.1946870000e+00  9.7045900000e-01  1.5853900000e+00 -5.5702400000e-01  5.2966100000e-01  2.8180660000e+00 -6.6576300000e-01  1.4017730000e+00
+ENERGY -1.526591246115e+02
+FORCES  2.6162000000e-03 -4.8407000000e-03  5.5525000000e-03  2.2922000000e-03  4.1084000000e-03 -2.7682000000e-03  1.2855000000e-03 -4.5921000000e-03  1.5265000000e-03 -1.1283800000e-02  8.1094000000e-03 -5.2604000000e-03  8.4822000000e-03 -2.9532000000e-03  2.9474000000e-03 -3.3923000000e-03  1.6820000000e-04 -1.9978000000e-03
+
+JOB 252
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6570600000e-01  4.8185300000e-01  4.9080100000e-01  6.5350200000e-01 -2.4219900000e-01  6.5613000000e-01  2.6933750000e+00 -6.0676300000e-01  3.1301500000e-01  2.8367600000e+00 -1.5498630000e+00  3.9198100000e-01  3.5411150000e+00 -2.5729900000e-01  3.8346000000e-02
+ENERGY -1.526569292240e+02
+FORCES  6.9919000000e-03 -1.6330000000e-04  3.2628000000e-03  3.7494000000e-03 -1.4850000000e-03 -1.3855000000e-03 -8.1917000000e-03 -8.8180000000e-04  2.7380000000e-04  1.8150000000e-03  4.3860000000e-04 -3.7430000000e-03 -1.4535000000e-03  4.6981000000e-03  4.2980000000e-04 -2.9110000000e-03 -2.6065000000e-03  1.1621000000e-03
+
+JOB 253
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1462100000e-01 -7.1846400000e-01  4.7763000000e-01 -5.0674700000e-01  4.6832200000e-01  6.6341100000e-01 -1.3449620000e+00  1.2156910000e+00  2.0012510000e+00 -9.9690800000e-01  9.7709000000e-01  2.8604130000e+00 -2.2118430000e+00  8.1080700000e-01  1.9726180000e+00
+ENERGY -1.526590463223e+02
+FORCES -6.8593000000e-03  7.0354000000e-03  1.4138200000e-02 -1.5579000000e-03  2.1911000000e-03 -2.9060000000e-04  2.6660000000e-03 -6.0119000000e-03 -7.9652000000e-03  1.8465000000e-03 -4.2907000000e-03 -6.3640000000e-04 -2.3153000000e-03  3.9400000000e-05 -4.9453000000e-03  6.2200000000e-03  1.0366000000e-03 -3.0070000000e-04
+
+JOB 254
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8295400000e-01  3.0823500000e-01  5.9564900000e-01 -4.7186800000e-01 -4.9132800000e-01 -6.7243500000e-01  2.3407010000e+00 -8.3052900000e-01  1.2991500000e+00  3.2170580000e+00 -5.1449000000e-01  1.0792640000e+00  1.7693110000e+00 -4.2796600000e-01  6.4517100000e-01
+ENERGY -1.526610816303e+02
+FORCES -2.3762000000e-03 -2.2731000000e-03  2.9517000000e-03  1.8434000000e-03 -1.4757000000e-03 -4.0788000000e-03  1.3960000000e-03  2.6698000000e-03  3.2893000000e-03 -6.5411000000e-03  3.7127000000e-03 -5.4423000000e-03 -3.8195000000e-03 -3.8980000000e-04 -4.3540000000e-04  9.4974000000e-03 -2.2439000000e-03  3.7156000000e-03
+
+JOB 255
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+ENERGY -1.526541047498e+02
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+
+JOB 256
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+ENERGY -1.526566074035e+02
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+
+JOB 257
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+ENERGY -1.526571722868e+02
+FORCES -1.2636000000e-03  3.2014000000e-03 -9.6240000000e-04 -8.5340000000e-04 -4.1792000000e-03 -3.8004000000e-03  4.5112000000e-03 -4.2606000000e-03  4.3842000000e-03 -6.3104000000e-03  7.6222000000e-03  5.1156000000e-03 -1.8838000000e-03  5.9860000000e-04  3.5481000000e-03  5.8000000000e-03 -2.9824000000e-03 -8.2851000000e-03
+
+JOB 258
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+ENERGY -1.526560816413e+02
+FORCES -2.0927000000e-03 -2.5293000000e-03  5.6693000000e-03  6.3700000000e-04  3.2373000000e-03 -1.3984000000e-03  2.2768000000e-03 -4.2330000000e-04 -4.8064000000e-03 -3.3975000000e-03  5.0870000000e-03  5.8160000000e-04  2.8992000000e-03 -1.2634000000e-03 -2.3189000000e-03 -3.2280000000e-04 -4.1084000000e-03  2.2728000000e-03
+
+JOB 259
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+ENERGY -1.526537911213e+02
+FORCES -1.6092600000e-02  4.5865000000e-03 -6.2650000000e-04  3.6607000000e-03  7.7230000000e-04  5.6680000000e-03  3.5328000000e-03 -5.4330000000e-04 -9.7200000000e-05  2.8342000000e-03  3.7220000000e-04 -1.5868000000e-03  1.9453000000e-03 -3.9527000000e-03 -4.9476000000e-03  4.1195000000e-03 -1.2350000000e-03  1.5901000000e-03
+
+JOB 260
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+ENERGY -1.526557305031e+02
+FORCES -8.8975000000e-03  8.7976000000e-03 -6.8003000000e-03 -1.6998000000e-03  2.3581000000e-03 -3.7553000000e-03  4.4410000000e-04 -8.9277000000e-03  2.6107000000e-03  4.2837000000e-03 -6.9240000000e-04  3.7270000000e-03  1.2308000000e-03 -5.1108000000e-03 -1.8440000000e-04  4.6387000000e-03  3.5751000000e-03  4.4023000000e-03
+
+JOB 261
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+ENERGY -1.526573051989e+02
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+
+JOB 262
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+ENERGY -1.526577379505e+02
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+JOB 263
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+ENERGY -1.526565198145e+02
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+JOB 264
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+JOB 265
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+JOB 266
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+JOB 267
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+JOB 268
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+JOB 269
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+JOB 270
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+JOB 271
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+JOB 272
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+JOB 273
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+JOB 274
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+JOB 275
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+JOB 276
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+JOB 277
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+JOB 278
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+JOB 279
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+JOB 280
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+JOB 281
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+JOB 282
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+JOB 283
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+JOB 284
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+JOB 285
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+JOB 286
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+JOB 287
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+JOB 288
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+JOB 289
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+JOB 290
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+JOB 291
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+JOB 292
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+JOB 293
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+JOB 294
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+JOB 295
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+JOB 296
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+JOB 297
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+JOB 298
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+JOB 299
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+JOB 300
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+JOB 301
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+JOB 302
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+JOB 308
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+
+JOB 309
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+JOB 310
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+
+JOB 311
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+JOB 312
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+
+JOB 313
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+
+JOB 314
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+JOB 315
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+JOB 316
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+JOB 317
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+JOB 318
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+JOB 319
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+JOB 320
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+JOB 321
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+JOB 322
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+JOB 323
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+JOB 324
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+JOB 325
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+JOB 326
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+JOB 327
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+JOB 328
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+JOB 329
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+
+JOB 330
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+
+JOB 331
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+ENERGY -1.526583152086e+02
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+
+JOB 332
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+ENERGY -1.526569149306e+02
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+
+JOB 333
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+ENERGY -1.526537500731e+02
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+
+JOB 334
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+
+JOB 335
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+ENERGY -1.526512275727e+02
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+
+JOB 336
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+ENERGY -1.526527604098e+02
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+
+JOB 337
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+ENERGY -1.526561750962e+02
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+
+JOB 338
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+ENERGY -1.526594443738e+02
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+
+JOB 339
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8354300000e-01  8.1622000000e-01 -3.2079800000e-01  7.2253200000e-01 -6.2760900000e-01 -1.6922000000e-02 -2.3993880000e+00 -7.6049600000e-01 -3.7075300000e-01 -2.4507590000e+00 -1.3491870000e+00  3.8226500000e-01 -1.4768970000e+00 -5.0918700000e-01 -4.1641400000e-01
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+
+JOB 340
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+
+JOB 341
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+ENERGY -1.526558760962e+02
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+
+JOB 342
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+ENERGY -1.526579372310e+02
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+
+JOB 343
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+ENERGY -1.526600322171e+02
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+JOB 344
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+ENERGY -1.526529085975e+02
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+JOB 345
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+ENERGY -1.526601567650e+02
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+JOB 346
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+ENERGY -1.526573724318e+02
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+JOB 347
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+ENERGY -1.526564574960e+02
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+JOB 348
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+JOB 349
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+JOB 350
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+JOB 351
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+JOB 352
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+JOB 353
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+JOB 354
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+JOB 355
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+JOB 356
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+JOB 357
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+JOB 358
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+JOB 359
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+JOB 360
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+JOB 361
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+JOB 362
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+JOB 363
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+JOB 364
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+JOB 365
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+JOB 366
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+JOB 367
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+JOB 368
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+JOB 369
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+JOB 370
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+JOB 371
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+JOB 372
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+JOB 373
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+JOB 375
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+JOB 376
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+JOB 377
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+JOB 378
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+JOB 379
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+JOB 380
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+JOB 381
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+JOB 382
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+JOB 383
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+JOB 384
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+JOB 385
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+JOB 387
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+JOB 388
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+JOB 396
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+
+JOB 397
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+JOB 398
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+
+JOB 399
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+
+JOB 400
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+
+JOB 401
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+JOB 402
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+JOB 403
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+JOB 404
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+JOB 405
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+JOB 406
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+JOB 407
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+JOB 408
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+JOB 409
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+JOB 410
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+JOB 411
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+JOB 412
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+JOB 413
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+JOB 414
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+JOB 415
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+JOB 416
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+JOB 417
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+JOB 419
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+JOB 420
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+JOB 421
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+JOB 422
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+JOB 423
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+JOB 424
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+JOB 425
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+JOB 426
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+JOB 427
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+JOB 428
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+JOB 429
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+JOB 430
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+JOB 431
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+JOB 432
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+JOB 433
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+JOB 434
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+JOB 435
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+JOB 436
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+JOB 438
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+JOB 439
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+JOB 484
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+JOB 485
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+JOB 486
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+JOB 487
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+JOB 488
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+JOB 489
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+JOB 490
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+JOB 491
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+JOB 492
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+JOB 493
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+JOB 494
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+JOB 495
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+JOB 497
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+JOB 498
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+
+JOB 506
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+JOB 507
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+
+JOB 508
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+
+JOB 509
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+
+JOB 510
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+JOB 511
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+JOB 512
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+JOB 513
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+
+JOB 514
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+
+JOB 515
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+JOB 516
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+JOB 517
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+JOB 518
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+JOB 519
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+JOB 520
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+JOB 521
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+JOB 522
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+JOB 523
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+JOB 524
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+JOB 525
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+JOB 526
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+JOB 527
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+
+JOB 550
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+
+JOB 551
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+
+JOB 552
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+JOB 553
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+JOB 554
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+
+JOB 555
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+JOB 556
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+JOB 557
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+JOB 558
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+JOB 559
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+JOB 560
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+JOB 561
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+JOB 562
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+JOB 563
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+JOB 564
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+JOB 565
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+JOB 566
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+JOB 567
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+JOB 568
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+JOB 569
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+JOB 570
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+JOB 571
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+JOB 572
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+JOB 573
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+JOB 574
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+JOB 575
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+JOB 576
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+JOB 577
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+JOB 578
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+JOB 579
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+JOB 580
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+JOB 581
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+JOB 582
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+JOB 583
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+JOB 584
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+JOB 585
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+JOB 586
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+JOB 587
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+JOB 588
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+JOB 590
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+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3197000000e-02  3.1835000000e-01 -9.0209900000e-01  4.7881000000e-02 -9.5237400000e-01 -8.3208000000e-02  2.4470860000e+00  5.0974700000e-01  6.9122400000e-01  2.9536550000e+00 -1.9844300000e-01  2.9362300000e-01  1.5656230000e+00  4.0463100000e-01  3.3316500000e-01
+ENERGY -1.526550377389e+02
+FORCES  8.5912000000e-03 -1.5369000000e-03  1.7371000000e-03  4.4158000000e-03 -2.0867000000e-03  6.4141000000e-03  2.0900000000e-03  6.2201000000e-03 -5.4580000000e-04 -2.1163600000e-02 -4.9178000000e-03 -5.5796000000e-03 -3.8290000000e-03  1.0246000000e-03  3.2770000000e-04  9.8956000000e-03  1.2967000000e-03 -2.3535000000e-03
+
+JOB 594
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1873800000e-01 -2.1489600000e-01 -5.9453100000e-01  7.8100100000e-01 -3.4416200000e-01 -4.3338400000e-01  2.2698070000e+00 -5.8512500000e-01 -1.0301680000e+00  2.2344000000e+00  1.3883100000e-01 -1.6553610000e+00  2.2531360000e+00 -1.3727580000e+00 -1.5738490000e+00
+ENERGY -1.526553798973e+02
+FORCES  2.0295900000e-02 -7.2083000000e-03 -8.2552000000e-03  4.7728000000e-03 -2.5500000000e-04 -2.6960000000e-04 -9.8944000000e-03  3.9977000000e-03 -7.7950000000e-04 -9.3236000000e-03  3.5946000000e-03  2.1704000000e-03 -3.0323000000e-03 -5.6704000000e-03  4.0467000000e-03 -2.8184000000e-03  5.5414000000e-03  3.0873000000e-03
+
+JOB 595
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0699300000e-01  9.3348900000e-01  4.4541000000e-02 -9.0634000000e-02 -3.0918700000e-01  9.0134400000e-01  2.3917720000e+00 -9.4043300000e-01  8.1106000000e-02  1.6783380000e+00 -3.0231700000e-01  7.3889000000e-02  3.1669790000e+00 -4.3104600000e-01  3.1735000000e-01
+ENERGY -1.526560029220e+02
+FORCES  5.1153000000e-03 -4.3045000000e-03  2.7441000000e-03  3.9900000000e-03 -5.3116000000e-03  5.6020000000e-04  3.8305000000e-03  3.6225000000e-03 -5.7477000000e-03 -1.6352900000e-02  7.7200000000e-03 -3.2737000000e-03  8.6494000000e-03 -2.5465000000e-03  6.3134000000e-03 -5.2323000000e-03  8.2010000000e-04 -5.9640000000e-04
+
+JOB 596
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0913100000e-01  3.4765000000e-02  2.9749700000e-01  4.3831600000e-01  6.9875500000e-01  4.8564700000e-01 -2.2794870000e+00 -9.0406300000e-01 -1.6574520000e+00 -2.6161850000e+00 -6.5845300000e-01 -7.9574400000e-01 -2.2653350000e+00 -1.8610870000e+00 -1.6457270000e+00
+ENERGY -1.526493813396e+02
+FORCES -3.5722000000e-03  2.4187000000e-03  5.0420000000e-04  8.5340000000e-04 -9.6830000000e-04  5.3910000000e-04 -2.3008000000e-03 -3.0983000000e-03 -2.8897000000e-03  1.4911000000e-03 -3.4077000000e-03  3.1991000000e-03  4.1977000000e-03  8.0970000000e-04 -1.1633000000e-03 -6.6910000000e-04  4.2460000000e-03 -1.8940000000e-04
+
+JOB 597
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8187000000e-01  2.3665900000e-01  2.8727900000e-01  8.6537000000e-02 -8.9512000000e-01 -3.2787800000e-01 -1.6569220000e+00  2.3178510000e+00 -3.4221200000e-01 -7.1000600000e-01  2.1790540000e+00 -3.2439700000e-01 -1.9854220000e+00  1.6539560000e+00 -9.4848100000e-01
+ENERGY -1.526549687088e+02
+FORCES  2.0859000000e-03 -2.1909000000e-03  9.4840000000e-04 -4.8717000000e-03  6.5410000000e-04 -2.2988000000e-03 -8.9240000000e-04  4.4022000000e-03  1.4565000000e-03  5.8154000000e-03 -1.1597500000e-02 -9.3140000000e-04 -4.5560000000e-04  5.1082000000e-03  5.0190000000e-04 -1.6817000000e-03  3.6239000000e-03  3.2340000000e-04
+
+JOB 598
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0269100000e-01 -7.7998100000e-01  5.4526800000e-01  7.3574800000e-01 -2.0555500000e-01 -5.7676200000e-01  1.4709250000e+00 -9.6296900000e-01 -2.3675320000e+00  1.5513090000e+00 -6.9640700000e-01 -3.2833450000e+00  2.3736150000e+00 -1.0219810000e+00 -2.0546430000e+00
+ENERGY -1.526580865799e+02
+FORCES  3.1702000000e-03 -5.5173000000e-03 -6.5464000000e-03  8.2450000000e-04  2.5898000000e-03 -1.6605000000e-03 -2.2390000000e-04  2.2879000000e-03  8.7173000000e-03  1.4412000000e-03  1.2068000000e-03 -5.3709000000e-03  8.0200000000e-04 -2.1382000000e-03  4.0491000000e-03 -6.0139000000e-03  1.5710000000e-03  8.1140000000e-04
+
+JOB 599
+COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4371000000e-01  3.2305000000e-02 -9.2509100000e-01 -1.4004300000e-01  8.9248300000e-01  3.1637700000e-01  1.5218950000e+00 -1.8174300000e-01 -2.7531140000e+00  1.6346370000e+00 -5.9595600000e-01 -1.8975740000e+00  2.2727550000e+00 -4.8136100000e-01 -3.2656270000e+00
+ENERGY -1.526590582268e+02
+FORCES -2.9076000000e-03  5.6704000000e-03 -2.7024000000e-03  2.8129000000e-03 -1.8711000000e-03  5.6687000000e-03  8.6300000000e-05 -3.6784000000e-03 -8.8570000000e-04  4.6383000000e-03 -2.7748000000e-03  1.7097000000e-03 -2.1329000000e-03  1.5401000000e-03 -6.4683000000e-03 -2.4969000000e-03  1.1138000000e-03  2.6781000000e-03
+
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/water.pdb b/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/water.pdb
new file mode 100644
index 000000000..8b1cd6c7f
--- /dev/null
+++ b/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/water.pdb
@@ -0,0 +1,7 @@
+ATOM      1  O   HOH A   1       0.352  -0.079  -1.180  1.00  0.00           O
+ATOM      2  H1  HOH A   1       0.136  -1.005  -1.286  1.00  0.00           H
+ATOM      3  H2  HOH A   1      -0.231   0.374  -1.790  1.00  0.00           H
+ATOM      4  O   HOH A   2      -0.250   0.123   1.273  1.00  0.00           O
+ATOM      5  H1  HOH A   2      -0.161  -0.068   0.340  1.00  0.00           H
+ATOM      6  H2  HOH A   2      -1.193   0.089   1.436  1.00  0.00           H
+END

From 8c1d0e1a0b6061adebe7981cc713add827dc9cd4 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Thu, 5 Mar 2026 17:48:53 +1100
Subject: [PATCH 58/76] update python env files

---
 .github/workflows/ci.yml                          | 15 ++++++++++++---
 .../{test_env_py39.yaml => test_env_py310.yaml}   |  2 +-
 2 files changed, 13 insertions(+), 4 deletions(-)
 rename devtools/conda-envs/{test_env_py39.yaml => test_env_py310.yaml} (87%)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 5526707ae..e26b07345 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -38,11 +38,20 @@ jobs:
     - name: Checkout
       uses: actions/checkout@v4
 
-    - name: Set up conda environment
+    - name: Set up conda environment for Python 3.9 or 3.10
       uses: mamba-org/setup-micromamba@v1
+      if: matrix.python-version == '3.9' || matrix.python-version == '3.10'
+      with:
+        # OpenFF Evaluator requires Python >= 3.10, so we use a separate environment file for Python 3.9 and 3.10 builds.
+        environment-file: devtools/conda-envs/test_env_py310.yaml
+        create-args: >- # beware the >- instead of |, we don't split on newlines but on spaces
+          python=${{ matrix.python-version }}
+
+    - name: Set up conda environment for Python 3.11 or higher
+      uses: mamba-org/setup-micromamba@v1
+      if: matrix.python-version != '3.9' && matrix.python-version != '3.10'
       with:
-        # ambertools has no Python 3.9 builds; use a separate env file for 3.9
-        environment-file: ${{ matrix.python-version == '3.9' && 'devtools/conda-envs/test_env_py39.yaml' || 'devtools/conda-envs/test_env.yaml' }}
+        environment-file: devtools/conda-envs/test_env.yaml
         create-args: >- # beware the >- instead of |, we don't split on newlines but on spaces
           python=${{ matrix.python-version }}
 
diff --git a/devtools/conda-envs/test_env_py39.yaml b/devtools/conda-envs/test_env_py310.yaml
similarity index 87%
rename from devtools/conda-envs/test_env_py39.yaml
rename to devtools/conda-envs/test_env_py310.yaml
index 6b2f69c73..a9fe68689 100644
--- a/devtools/conda-envs/test_env_py39.yaml
+++ b/devtools/conda-envs/test_env_py310.yaml
@@ -23,7 +23,7 @@ dependencies:
   - ndcctools
   - geometric
   # - gromacs =2019.1
-  # openff packages require Python >= 3.10; tests are skipped on 3.9
+  # openff packages require Python >= 3.11; tests are skipped on 3.9 and 3.10
   # - openff-toolkit-base
   # - openff-evaluator-base
   # - openff-recharge

From b8b6086d2fd0dfa4cae827bc276e49a0efdb030f Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 5 Mar 2026 22:20:02 +1100
Subject: [PATCH 59/76] undo perturbation experiment

---
 src/evaluator_io.py | 2 +-
 src/recharge_io.py  | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/evaluator_io.py b/src/evaluator_io.py
index 90090d23b..12bdadb68 100644
--- a/src/evaluator_io.py
+++ b/src/evaluator_io.py
@@ -403,7 +403,7 @@ def _extract_physical_parameter_values(self):
 
         return parameter_values
 
-    def _build_pvals_jacobian(self, mvals, perturbation_amount=1.0e-3):
+    def _build_pvals_jacobian(self, mvals, perturbation_amount=1.0e-4):
         """Build the matrix which maps the gradients of properties with
         respect to physical parameters to gradients with respect to
         force balance mathematical parameters.
diff --git a/src/recharge_io.py b/src/recharge_io.py
index 07c3815da..f97d81088 100644
--- a/src/recharge_io.py
+++ b/src/recharge_io.py
@@ -170,7 +170,7 @@ def _initialize(self):
 
             residual_counter += len(self._molecule_residual_ranges[smiles_pattern])
 
-    def _compute_gradient_jacobian(self, mvals, perturbation_amount=1.0e-3):
+    def _compute_gradient_jacobian(self, mvals, perturbation_amount=1.0e-4):
         """Build the matrix which maps the gradient w.r.t. physical parameters to
         a gradient w.r.t mathematical parameters.
 

From 7d56b3e51cbf4a968b575d37ccc60a7f277d19c3 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Fri, 6 Mar 2026 10:23:20 +1100
Subject: [PATCH 60/76] add pickle fix

---
 src/smirnoffio.py | 12 ++++++++++++
 1 file changed, 12 insertions(+)

diff --git a/src/smirnoffio.py b/src/smirnoffio.py
index 6705f3cfe..f167c4a7e 100644
--- a/src/smirnoffio.py
+++ b/src/smirnoffio.py
@@ -23,6 +23,8 @@
 import numpy as np
 import sys
 from forcebalance.finite_difference import *
+import copyreg
+from packaging.version import Version
 import pickle
 import shutil
 from copy import deepcopy
@@ -71,6 +73,16 @@
 ## pdict is a useless variable if the force field is XML.
 pdict = "XML_Override"
 
+
+# === pickle Versions ===
+# this is necessary for pickling openff force fields which
+# now use packaging.version.Version for versions.
+# Since packaging>=26.0 Version objects define __slots__
+# without __getstate__, which causes pickling to fail
+# with protocol=0.
+# note: normal pickling default protocol is 4
+copyreg.pickle(Version, lambda v: (Version, (str(v),)))
+
 VIRTUAL_SITE_ATTRIBUTE_ORDER = ("type", "name", "match")
 
 def select_virtual_site_parameter(

From b74a0a68c6c3f9a8490ff4f74ff170945dfb7050 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Fri, 6 Mar 2026 10:24:04 +1100
Subject: [PATCH 61/76] update test with Liquid

---
 .../optimize.in                               |  38 +
 .../targets/Liquid-H25-RTA/data.csv           |  55 ++
 .../targets/Liquid-H25-RTA/gas.pdb            |   8 +
 .../targets/Liquid-H25-RTA/liquid.pdb         | 652 +++++++++++++++++
 .../targets/Liquid-H25-RTA/old-liquid.pdb     | 654 ++++++++++++++++++
 .../targets/Liquid-H25-RTA/water.mol2         |  13 +
 .../targets/Liquid-H25-RTA/water.sdf          |  11 +
 7 files changed, 1431 insertions(+)
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/gas.pdb
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/liquid.pdb
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/old-liquid.pdb
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.mol2
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.sdf

diff --git a/studies/028_smirnoff_tip4p_geometry_fit/optimize.in b/studies/028_smirnoff_tip4p_geometry_fit/optimize.in
index f9b17c29d..74f93a35e 100644
--- a/studies/028_smirnoff_tip4p_geometry_fit/optimize.in
+++ b/studies/028_smirnoff_tip4p_geometry_fit/optimize.in
@@ -39,6 +39,44 @@ priors
 
 $end
 
+$target
+# (string) The name of the target, which corresponds to the directory targets/dir_name
+name Liquid-H25-RTA
+
+# (allcap) The type of target, for instance AbInitio_GMXX2
+type Liquid_SMIRNOFF
+
+# (float) Weight of the current target (with respect to other targets)
+weight 6.0
+
+w_rho 1.0
+w_hvap 1.0
+w_alpha 1.0
+w_kappa 1.0
+w_cp 1.0
+w_eps0 1.0
+
+liquid_eq_steps 100
+liquid_md_steps 200
+liquid_timestep 2.0
+liquid_interval 0.1
+
+gas_eq_steps 100
+gas_prod_steps 200
+gas_timestep 2.0
+gas_interval 0.1
+
+# Parameters for self-polarization correction of nonpolarizable water
+self_pol_mu0 1.855
+self_pol_alpha 1.470
+
+adapt_errors
+
+pure_num_grad False
+mol2 water.sdf
+
+$end
+
 $target
 name water
 type AbInitio_SMIRNOFF
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv
new file mode 100644
index 000000000..fec3a0314
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv
@@ -0,0 +1,55 @@
+# This is documentation for the ForceBalance condensed phase reference data file,,,,,,,,,,,,,,,,,,,
+"# Lines beginning with octothorpe are comments, empty lines are ignored",,,,,,,,,,,,,,,,,,,
+"# A line can either be a comment, a global parameter, a single line with column headings, or a data line (after the column heading line)",,,,,,,,,,,,,,,,,,,
+# This file should be saved as .xlsx (to preserve formatting) but exported to .csv for ForceBalance to use.,,,,,,,,,,,,,,,,,,,
+,,,,,,,,,,,,,,,,,,,
+"# Global parameters are defined here; they have ""Global"" in the first column.",,,,,,,,,,,,,,,,,,,
+# rho_denom : least squares denominator for the density objective function,,,,,,,,,,,,,,,,,,,
+"# Note: w_rho, w_hvap etc. is set in the input file.  This is because it's considered an adjustable option rather than a property of the data set.",,,,,,,,,,,,,,,,,,,
+# The overall prefactor for an observable is w_obs / obs_denom^2 ,,,,,,,,,,,,,,,,,,,
+,,,,,,,,,,,,,,,,,,,
+Global,rho_denom,1.0,,,,,,,,,,,,,,,,,
+Global,hvap_denom,0.25,,,,,,,,,,,,,,,,,
+Global,alpha_denom,1.0,,,,,,,,,,,,,,,,,
+Global,kappa_denom,5.0,,,,,,,,,,,,,,,,,
+Global,cp_denom,1.0,,,,,,,,,,,,,,,,,
+Global,eps0_denom,2.0,,,,,,,,,,,,,,,,,
+Global,use_cvib_intra,TRUE,,,,,,,,,,,,,,,,,
+Global,use_cvib_inter,TRUE,,,,,,,,,,,,,,,,,
+Global,use_cni,TRUE,,,,,,,,,,,,,,,,,
+,,,,,,,,,,,,,,,,,,,
+"# Before entering the data, there must be one line with column headings.",,,,,,,,,,,,,,,,,,,
+# Allowed column headings are: (not case sensitive),,,,,,,,,,,,,,,,,,,
+# T : Temperature in Kelvin,,,,,,,,,,,,,,,,,,,
+"# P : Pressure in specified unit (append atm or bar), default is atm",,,,,,,,,,,,,,,,,,,
+# MBAR : Include this state in multistate Bennett acceptance ratio calculation (more extreme states are not included),,,,,,,,,,,,,,,,,,,
+# Rho : Density in kg m^-3,,,,,,,,,,,,,,,,,,,
+# Hvap : Enthalpy of vaporization in kJ/mol.  Note: simulating liquid at 1 atm is an acceptable approximation for the vapor pressure.,,,,,,,,,,,,,,,,,,,
+# Alpha : Thermal expansion coefficient in 10^-4 K^-1.,,,,,,,,,,,,,,,,,,,
+# Kappa: Isothermal compressibility in 10^-6 bar^-1.,,,,,,,,,,,,,,,,,,,
+# Cp: Isobaric heat capacity in kJ/mol K^-1.,,,,,,,,,,,,,,,,,,,
+# Eps0: Static dielectric constant.,,,,,,,,,,,,,,,,,,,
+# Rho_wt : Weight to use for this phase point. Analogous for Hvap etc. If column is missing then all weights are 1.,,,,,,,,,,,,,,,,,,,
+# Cvib_intra : To be ADDED to the calculated enthalpy of vaporization ; energy difference due to intramolecular vibrational frequency shifts in going from gas to liquid,,,,,,,,,,,,,,,,,,,
+# Cvib_inter : To be ADDED to the calculated enthalpy of vaporization ; energy difference due to intermolecular vibrational frequency shifts in going from gas to liquid,,,,,,,,,,,,,,,,,,,
+# Cni : To be ADDED to the calculated enthalpy of vaporization ; accounts for the nonideality of the gas phase (more relevant close to critical point),,,,,,,,,,,,,,,,,,,
+# dEvib : To be ADDED to the calculated heat capacity.  Note that these values are slightly different from the TIP4P-Ew paper for some reason.,,,,,,,,,,,,,,,,,,,
+# NOTE : To finish off the optimization I increased the weight of rho and alpha on the low temperature points.,,,,,,,,,,,,,,,,,,,
+,,,,,,,,,,,,,,,,,,,
+T,P,MBAR,Rho,Rho_wt,Hvap,Hvap_wt,Cvib_intra,Cvib_inter,Cni,Alpha,Alpha_wt,Kappa,Kappa_wt,Cp,Cp_wt,dEvib_intra,dEvib_inter,Eps0,Eps0_wt
+293.15,1.0 atm,TRUE,998.204,1.0,44.203,1.0,3.541,-3.860,-0.021,2.068,1.0,45.892,1.0,18.015,1.0,0.040,-2.277,80.223,1.0
+298.15,1.0 atm,TRUE,997.045,30.0,43.989,1.0,3.542,-3.813,-0.025,2.572,1.0,45.247,1.0,18.002,1.0,0.045,-2.231,78.409,1.0
+301.15,1.0 atm,TRUE,996.234,1.0,43.861,1.0,3.542,-3.785,-0.028,2.853,1.0,44.943,1.0,17.998,1.0,0.048,-2.203,77.339,1.0
+# Data going all the way up to the critical point. ,,,,,,,,,,,,,,,,,,,
+# Above 600K the data for second order properties is not trustworthy; FreeSteam and Steam Tables Online have divergent results.,,,,,,,,,,,,,,,,,,,
+#380,1.3 atm,FALSE,953.327,1.0,40.322,1.0,3.546,-3.162,-0.277,7.876,1.0,50.205,1.0,18.195,1.0,0.155,-1.612,53.796,1.0
+#430,5.6 atm,FALSE,910.507,1.0,37.688,1.0,3.551,-2.854,-0.773,10.679,1.0,64.630,1.0,18.639,1.0,0.253,-1.340,42.642,1.0
+#440,7.2 atm,FALSE,900.649,1.0,37.099,1.0,3.552,-2.799,-0.924,11.314,1.0,68.948,1.0,18.769,1.0,0.276,-1.293,40.687,1.0
+#480,17.7 atm,FALSE,856.537,0.1,34.453,0.1,3.556,-2.597,-1.756,14.397,0.0,93.777,0.0,19.506,0.0,0.371,-1.126,33.604,0.0
+#490,21.5 atm,FALSE,844.219,0.1,33.706,0.1,3.557,-2.551,-2.031,15.368,0.0,102.758,0.0,19.764,0.0,0.396,-1.089,31.992,0.0
+# Pressure dependence data.  At very high pressures the weight is reduced because larger deviations from experiment are expected.,,,,,,,,,,,,,,,,,,,
+# The enthalpy of vaporization calculation is meaningless so it is given a weight of zero.,,,,,,,,,,,,,,,,,,,
+298.15,1000.0 bar,TRUE,1037.872,1.0,43.989,0.0,3.542,-3.813,-0.025,3.502,1.0,35.723,1.0,17.123,1.0,0.045,-2.231,81.900,1.0
+298.15,3000.0 bar,TRUE,1101.035,1.0,43.989,0.0,3.542,-3.813,-0.025,4.305,1.0,24.666,1.0,16.492,1.0,0.045,-2.231,87.870,1.0
+298.15,5000.0 bar,TRUE,1149.422,1.0,43.989,0.0,3.542,-3.813,-0.025,4.425,1.0,18.888,1.0,16.301,1.0,0.045,-2.231,93.087,1.0
+#298.15,7000.0 bar,TRUE,1189.159,1.0,43.989,0.0,3.542,-3.813,-0.025,4.355,1.0,15.355,1.0,16.216,1.0,0.045,-2.231,97.891,1.0
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/gas.pdb b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/gas.pdb
new file mode 100644
index 000000000..4f1d04517
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/gas.pdb
@@ -0,0 +1,8 @@
+TITLE     Water Monomer
+REMARK    THIS IS A SIMULATION BOX
+MODEL        1
+ATOM      1  O   HOH     1       8.039   5.868   0.493  1.00  0.00            
+ATOM      2 H1   HOH     1       7.581   5.023   0.404  1.00  0.00            
+ATOM      3 H2   HOH     1       8.287   6.062  -0.397  1.00  0.00            
+TER
+ENDMDL
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/liquid.pdb b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/liquid.pdb
new file mode 100644
index 000000000..f43b3f93b
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/liquid.pdb
@@ -0,0 +1,652 @@
+REMARK   1 CREATED WITH OPENMM 8.2, 2026-02-24
+CRYST1   18.708   18.708   18.708  90.00  90.00  90.00 P 1           1 
+HETATM    1  O   HOH A   1       0.786  16.257   2.355  1.00  0.00           O  
+HETATM    2  H1  HOH A   1       1.288  16.787   1.736  1.00  0.00           H  
+HETATM    3  H2  HOH A   1       0.185  15.752   1.808  1.00  0.00           H  
+HETATM    4  O   HOH A   2       2.478  22.819   2.523  1.00  0.00           O  
+HETATM    5  H1  HOH A   2       3.126  22.981   3.208  1.00  0.00           H  
+HETATM    6  H2  HOH A   2       2.875  22.143   1.972  1.00  0.00           H  
+HETATM    7  O   HOH A   3      10.229  13.383  -0.008  1.00  0.00           O  
+HETATM    8  H1  HOH A   3       9.779  12.598  -0.321  1.00  0.00           H  
+HETATM    9  H2  HOH A   3      10.523  13.156   0.874  1.00  0.00           H  
+HETATM   10  O   HOH A   4       4.265  21.051  -9.630  1.00  0.00           O  
+HETATM   11  H1  HOH A   4       3.681  21.769  -9.388  1.00  0.00           H  
+HETATM   12  H2  HOH A   4       5.114  21.469  -9.773  1.00  0.00           H  
+HETATM   13  O   HOH A   5       6.467  -7.339   5.089  1.00  0.00           O  
+HETATM   14  H1  HOH A   5       6.752  -8.204   4.797  1.00  0.00           H  
+HETATM   15  H2  HOH A   5       6.122  -7.484   5.970  1.00  0.00           H  
+HETATM   16  O   HOH A   6      -2.125  12.879   5.131  1.00  0.00           O  
+HETATM   17  H1  HOH A   6      -2.600  13.270   5.865  1.00  0.00           H  
+HETATM   18  H2  HOH A   6      -1.208  13.098   5.294  1.00  0.00           H  
+HETATM   19  O   HOH A   7       1.965  15.609  -8.173  1.00  0.00           O  
+HETATM   20  H1  HOH A   7       1.452  14.944  -7.714  1.00  0.00           H  
+HETATM   21  H2  HOH A   7       1.795  15.445  -9.101  1.00  0.00           H  
+HETATM   22  O   HOH A   8      10.929  -4.344   3.982  1.00  0.00           O  
+HETATM   23  H1  HOH A   8      10.926  -3.826   4.787  1.00  0.00           H  
+HETATM   24  H2  HOH A   8      10.307  -5.052   4.150  1.00  0.00           H  
+HETATM   25  O   HOH A   9      -0.531   4.018  -2.893  1.00  0.00           O  
+HETATM   26  H1  HOH A   9      -1.231   3.567  -2.422  1.00  0.00           H  
+HETATM   27  H2  HOH A   9      -0.464   4.872  -2.465  1.00  0.00           H  
+HETATM   28  O   HOH A  10     -13.868   8.116 -11.582  1.00  0.00           O  
+HETATM   29  H1  HOH A  10     -13.698   8.084 -12.524  1.00  0.00           H  
+HETATM   30  H2  HOH A  10     -13.401   8.895 -11.280  1.00  0.00           H  
+HETATM   31  O   HOH A  11       7.310  16.725  21.172  1.00  0.00           O  
+HETATM   32  H1  HOH A  11       6.565  17.311  21.032  1.00  0.00           H  
+HETATM   33  H2  HOH A  11       7.334  16.589  22.119  1.00  0.00           H  
+HETATM   34  O   HOH A  12       0.099  13.495  -1.191  1.00  0.00           O  
+HETATM   35  H1  HOH A  12      -0.211  13.742  -0.320  1.00  0.00           H  
+HETATM   36  H2  HOH A  12      -0.489  13.951  -1.794  1.00  0.00           H  
+HETATM   37  O   HOH A  13       1.354   0.119   6.608  1.00  0.00           O  
+HETATM   38  H1  HOH A  13       2.176  -0.356   6.725  1.00  0.00           H  
+HETATM   39  H2  HOH A  13       1.032  -0.165   5.753  1.00  0.00           H  
+HETATM   40  O   HOH A  14     -11.712  19.432   6.473  1.00  0.00           O  
+HETATM   41  H1  HOH A  14     -12.360  19.260   7.156  1.00  0.00           H  
+HETATM   42  H2  HOH A  14     -12.206  19.862   5.775  1.00  0.00           H  
+HETATM   43  O   HOH A  15      19.547   9.687 -12.038  1.00  0.00           O  
+HETATM   44  H1  HOH A  15      19.074   9.103 -12.630  1.00  0.00           H  
+HETATM   45  H2  HOH A  15      18.869  10.055 -11.471  1.00  0.00           H  
+HETATM   46  O   HOH A  16       4.811  22.248  12.561  1.00  0.00           O  
+HETATM   47  H1  HOH A  16       5.605  21.810  12.254  1.00  0.00           H  
+HETATM   48  H2  HOH A  16       4.466  22.691  11.785  1.00  0.00           H  
+HETATM   49  O   HOH A  17       6.463   5.018  -1.575  1.00  0.00           O  
+HETATM   50  H1  HOH A  17       6.116   4.195  -1.232  1.00  0.00           H  
+HETATM   51  H2  HOH A  17       6.041   5.119  -2.429  1.00  0.00           H  
+HETATM   52  O   HOH A  18      -7.051  -5.546  -3.620  1.00  0.00           O  
+HETATM   53  H1  HOH A  18      -6.698  -4.660  -3.541  1.00  0.00           H  
+HETATM   54  H2  HOH A  18      -7.170  -5.839  -2.717  1.00  0.00           H  
+HETATM   55  O   HOH A  19      -4.051   1.129   5.780  1.00  0.00           O  
+HETATM   56  H1  HOH A  19      -3.209   1.230   6.224  1.00  0.00           H  
+HETATM   57  H2  HOH A  19      -4.660   1.654   6.298  1.00  0.00           H  
+HETATM   58  O   HOH A  20      -2.280   8.949  -2.836  1.00  0.00           O  
+HETATM   59  H1  HOH A  20      -2.595   8.261  -2.250  1.00  0.00           H  
+HETATM   60  H2  HOH A  20      -1.994   9.650  -2.250  1.00  0.00           H  
+HETATM   61  O   HOH A  21      15.217  12.386  -1.585  1.00  0.00           O  
+HETATM   62  H1  HOH A  21      14.815  12.571  -0.736  1.00  0.00           H  
+HETATM   63  H2  HOH A  21      16.059  11.984  -1.369  1.00  0.00           H  
+HETATM   64  O   HOH A  22      14.221   0.267  -6.753  1.00  0.00           O  
+HETATM   65  H1  HOH A  22      14.862   0.622  -7.368  1.00  0.00           H  
+HETATM   66  H2  HOH A  22      14.324   0.800  -5.964  1.00  0.00           H  
+HETATM   67  O   HOH A  23      18.094   6.529 -11.209  1.00  0.00           O  
+HETATM   68  H1  HOH A  23      18.996   6.374 -11.490  1.00  0.00           H  
+HETATM   69  H2  HOH A  23      17.629   6.764 -12.012  1.00  0.00           H  
+HETATM   70  O   HOH A  24      12.316  19.993  16.331  1.00  0.00           O  
+HETATM   71  H1  HOH A  24      11.553  20.418  15.939  1.00  0.00           H  
+HETATM   72  H2  HOH A  24      12.245  20.187  17.265  1.00  0.00           H  
+HETATM   73  O   HOH A  25      -4.558   1.061   3.141  1.00  0.00           O  
+HETATM   74  H1  HOH A  25      -5.192   0.366   2.967  1.00  0.00           H  
+HETATM   75  H2  HOH A  25      -4.465   1.068   4.093  1.00  0.00           H  
+HETATM   76  O   HOH A  26      14.883   7.195 -12.105  1.00  0.00           O  
+HETATM   77  H1  HOH A  26      15.544   7.615 -11.554  1.00  0.00           H  
+HETATM   78  H2  HOH A  26      14.065   7.640 -11.879  1.00  0.00           H  
+HETATM   79  O   HOH A  27     -19.041   6.290  -1.462  1.00  0.00           O  
+HETATM   80  H1  HOH A  27     -18.447   6.247  -0.713  1.00  0.00           H  
+HETATM   81  H2  HOH A  27     -19.894   6.495  -1.080  1.00  0.00           H  
+HETATM   82  O   HOH A  28      10.839   9.724   4.900  1.00  0.00           O  
+HETATM   83  H1  HOH A  28      11.768   9.950   4.855  1.00  0.00           H  
+HETATM   84  H2  HOH A  28      10.549   9.716   3.988  1.00  0.00           H  
+HETATM   85  O   HOH A  29      21.872  17.978  11.117  1.00  0.00           O  
+HETATM   86  H1  HOH A  29      22.811  17.890  10.952  1.00  0.00           H  
+HETATM   87  H2  HOH A  29      21.498  17.148  10.824  1.00  0.00           H  
+HETATM   88  O   HOH A  30      -7.939  10.088  10.108  1.00  0.00           O  
+HETATM   89  H1  HOH A  30      -7.933  10.182   9.156  1.00  0.00           H  
+HETATM   90  H2  HOH A  30      -8.778  10.460  10.380  1.00  0.00           H  
+HETATM   91  O   HOH A  31       4.995  15.656  15.180  1.00  0.00           O  
+HETATM   92  H1  HOH A  31       5.951  15.608  15.141  1.00  0.00           H  
+HETATM   93  H2  HOH A  31       4.715  15.588  14.267  1.00  0.00           H  
+HETATM   94  O   HOH A  32      13.560  11.281  15.151  1.00  0.00           O  
+HETATM   95  H1  HOH A  32      14.131  11.708  15.788  1.00  0.00           H  
+HETATM   96  H2  HOH A  32      12.941  11.962  14.888  1.00  0.00           H  
+HETATM   97  O   HOH A  33      -5.362   4.316   5.879  1.00  0.00           O  
+HETATM   98  H1  HOH A  33      -4.648   4.585   6.457  1.00  0.00           H  
+HETATM   99  H2  HOH A  33      -6.066   4.057   6.472  1.00  0.00           H  
+HETATM  100  O   HOH A  34      -3.676   8.920  10.076  1.00  0.00           O  
+HETATM  101  H1  HOH A  34      -3.538   8.949  11.023  1.00  0.00           H  
+HETATM  102  H2  HOH A  34      -4.450   8.368   9.964  1.00  0.00           H  
+HETATM  103  O   HOH A  35      -6.003  15.700  -3.325  1.00  0.00           O  
+HETATM  104  H1  HOH A  35      -6.657  16.384  -3.181  1.00  0.00           H  
+HETATM  105  H2  HOH A  35      -5.499  16.005  -4.080  1.00  0.00           H  
+HETATM  106  O   HOH A  36       3.113  19.727  13.196  1.00  0.00           O  
+HETATM  107  H1  HOH A  36       3.276  19.024  12.567  1.00  0.00           H  
+HETATM  108  H2  HOH A  36       3.804  20.367  13.025  1.00  0.00           H  
+HETATM  109  O   HOH A  37      10.092  11.216  26.010  1.00  0.00           O  
+HETATM  110  H1  HOH A  37       9.738  10.809  25.219  1.00  0.00           H  
+HETATM  111  H2  HOH A  37      11.037  11.253  25.859  1.00  0.00           H  
+HETATM  112  O   HOH A  38       8.213  11.329  -8.055  1.00  0.00           O  
+HETATM  113  H1  HOH A  38       8.356  12.062  -8.654  1.00  0.00           H  
+HETATM  114  H2  HOH A  38       8.555  11.636  -7.215  1.00  0.00           H  
+HETATM  115  O   HOH A  39      11.946  17.874  12.840  1.00  0.00           O  
+HETATM  116  H1  HOH A  39      11.505  17.471  12.092  1.00  0.00           H  
+HETATM  117  H2  HOH A  39      12.686  18.346  12.458  1.00  0.00           H  
+HETATM  118  O   HOH A  40      -5.368  -7.758  -8.006  1.00  0.00           O  
+HETATM  119  H1  HOH A  40      -6.208  -8.182  -8.179  1.00  0.00           H  
+HETATM  120  H2  HOH A  40      -4.717  -8.358  -8.371  1.00  0.00           H  
+HETATM  121  O   HOH A  41     -11.990   7.194  12.176  1.00  0.00           O  
+HETATM  122  H1  HOH A  41     -11.808   7.974  12.702  1.00  0.00           H  
+HETATM  123  H2  HOH A  41     -11.340   6.553  12.466  1.00  0.00           H  
+HETATM  124  O   HOH A  42       8.701  12.748   4.033  1.00  0.00           O  
+HETATM  125  H1  HOH A  42       7.931  12.280   4.354  1.00  0.00           H  
+HETATM  126  H2  HOH A  42       8.558  12.829   3.090  1.00  0.00           H  
+HETATM  127  O   HOH A  43       2.086   4.232  25.521  1.00  0.00           O  
+HETATM  128  H1  HOH A  43       1.996   3.702  24.729  1.00  0.00           H  
+HETATM  129  H2  HOH A  43       1.914   5.128  25.231  1.00  0.00           H  
+HETATM  130  O   HOH A  44      12.468   8.153   7.522  1.00  0.00           O  
+HETATM  131  H1  HOH A  44      12.606   7.893   8.433  1.00  0.00           H  
+HETATM  132  H2  HOH A  44      11.834   7.520   7.186  1.00  0.00           H  
+HETATM  133  O   HOH A  45       9.539  23.466   8.516  1.00  0.00           O  
+HETATM  134  H1  HOH A  45       9.854  23.266   9.398  1.00  0.00           H  
+HETATM  135  H2  HOH A  45       8.630  23.167   8.514  1.00  0.00           H  
+HETATM  136  O   HOH A  46      -2.276  20.410  10.354  1.00  0.00           O  
+HETATM  137  H1  HOH A  46      -1.657  20.555   9.638  1.00  0.00           H  
+HETATM  138  H2  HOH A  46      -1.970  20.985  11.056  1.00  0.00           H  
+HETATM  139  O   HOH A  47      -7.613   6.958   3.787  1.00  0.00           O  
+HETATM  140  H1  HOH A  47      -6.774   6.552   3.567  1.00  0.00           H  
+HETATM  141  H2  HOH A  47      -7.377   7.779   4.218  1.00  0.00           H  
+HETATM  142  O   HOH A  48      13.634  10.776   4.260  1.00  0.00           O  
+HETATM  143  H1  HOH A  48      13.807  10.370   3.410  1.00  0.00           H  
+HETATM  144  H2  HOH A  48      14.418  10.592   4.777  1.00  0.00           H  
+HETATM  145  O   HOH A  49       2.406  19.183  15.999  1.00  0.00           O  
+HETATM  146  H1  HOH A  49       2.313  20.042  16.411  1.00  0.00           H  
+HETATM  147  H2  HOH A  49       2.672  19.376  15.100  1.00  0.00           H  
+HETATM  148  O   HOH A  50      12.463  22.137  13.211  1.00  0.00           O  
+HETATM  149  H1  HOH A  50      13.262  21.671  13.456  1.00  0.00           H  
+HETATM  150  H2  HOH A  50      11.842  21.933  13.911  1.00  0.00           H  
+HETATM  151  O   HOH A  51     -13.507  -7.522   7.459  1.00  0.00           O  
+HETATM  152  H1  HOH A  51     -13.547  -6.646   7.843  1.00  0.00           H  
+HETATM  153  H2  HOH A  51     -12.859  -7.987   7.988  1.00  0.00           H  
+HETATM  154  O   HOH A  52       8.979   8.676   0.028  1.00  0.00           O  
+HETATM  155  H1  HOH A  52       9.489   7.959  -0.347  1.00  0.00           H  
+HETATM  156  H2  HOH A  52       8.080   8.506  -0.255  1.00  0.00           H  
+HETATM  157  O   HOH A  53     -15.884  17.191   0.459  1.00  0.00           O  
+HETATM  158  H1  HOH A  53     -15.306  17.223  -0.303  1.00  0.00           H  
+HETATM  159  H2  HOH A  53     -16.734  17.481   0.128  1.00  0.00           H  
+HETATM  160  O   HOH A  54       3.458  14.445  -0.316  1.00  0.00           O  
+HETATM  161  H1  HOH A  54       2.871  14.123  -1.000  1.00  0.00           H  
+HETATM  162  H2  HOH A  54       3.229  15.370  -0.219  1.00  0.00           H  
+HETATM  163  O   HOH A  55       3.423   2.485   0.614  1.00  0.00           O  
+HETATM  164  H1  HOH A  55       4.370   2.579   0.512  1.00  0.00           H  
+HETATM  165  H2  HOH A  55       3.068   2.677  -0.254  1.00  0.00           H  
+HETATM  166  O   HOH A  56       2.409  24.802  -5.681  1.00  0.00           O  
+HETATM  167  H1  HOH A  56       1.602  25.312  -5.610  1.00  0.00           H  
+HETATM  168  H2  HOH A  56       2.174  23.934  -5.353  1.00  0.00           H  
+HETATM  169  O   HOH A  57     -16.084  12.672  20.272  1.00  0.00           O  
+HETATM  170  H1  HOH A  57     -15.514  11.913  20.151  1.00  0.00           H  
+HETATM  171  H2  HOH A  57     -15.693  13.355  19.727  1.00  0.00           H  
+HETATM  172  O   HOH A  58      -2.417  17.655  23.169  1.00  0.00           O  
+HETATM  173  H1  HOH A  58      -2.733  16.768  22.995  1.00  0.00           H  
+HETATM  174  H2  HOH A  58      -3.157  18.095  23.587  1.00  0.00           H  
+HETATM  175  O   HOH A  59      -9.492   4.882   4.580  1.00  0.00           O  
+HETATM  176  H1  HOH A  59      -9.089   5.638   4.153  1.00  0.00           H  
+HETATM  177  H2  HOH A  59     -10.019   5.258   5.285  1.00  0.00           H  
+HETATM  178  O   HOH A  60       0.950   7.740  15.407  1.00  0.00           O  
+HETATM  179  H1  HOH A  60       0.430   7.654  14.608  1.00  0.00           H  
+HETATM  180  H2  HOH A  60       0.479   7.219  16.057  1.00  0.00           H  
+HETATM  181  O   HOH A  61       7.349   2.593  11.782  1.00  0.00           O  
+HETATM  182  H1  HOH A  61       7.308   1.946  12.486  1.00  0.00           H  
+HETATM  183  H2  HOH A  61       7.543   2.081  10.996  1.00  0.00           H  
+HETATM  184  O   HOH A  62      -8.024  23.369  11.359  1.00  0.00           O  
+HETATM  185  H1  HOH A  62      -7.321  23.018  11.905  1.00  0.00           H  
+HETATM  186  H2  HOH A  62      -8.667  23.705  11.984  1.00  0.00           H  
+HETATM  187  O   HOH A  63      -0.733  24.657  10.394  1.00  0.00           O  
+HETATM  188  H1  HOH A  63      -0.621  25.125   9.567  1.00  0.00           H  
+HETATM  189  H2  HOH A  63      -0.102  23.939  10.351  1.00  0.00           H  
+HETATM  190  O   HOH A  64      15.508   5.579  -7.050  1.00  0.00           O  
+HETATM  191  H1  HOH A  64      16.338   5.803  -7.472  1.00  0.00           H  
+HETATM  192  H2  HOH A  64      15.276   4.725  -7.415  1.00  0.00           H  
+HETATM  193  O   HOH A  65      -2.814  17.664   9.030  1.00  0.00           O  
+HETATM  194  H1  HOH A  65      -2.684  18.561   9.338  1.00  0.00           H  
+HETATM  195  H2  HOH A  65      -2.506  17.116   9.751  1.00  0.00           H  
+HETATM  196  O   HOH A  66       4.125  10.134   0.314  1.00  0.00           O  
+HETATM  197  H1  HOH A  66       4.456  10.631  -0.434  1.00  0.00           H  
+HETATM  198  H2  HOH A  66       3.292   9.772   0.013  1.00  0.00           H  
+HETATM  199  O   HOH A  67       1.751  -9.400  -1.032  1.00  0.00           O  
+HETATM  200  H1  HOH A  67       0.991  -9.691  -0.527  1.00  0.00           H  
+HETATM  201  H2  HOH A  67       1.723  -9.925  -1.831  1.00  0.00           H  
+HETATM  202  O   HOH A  68       4.038   8.121  12.780  1.00  0.00           O  
+HETATM  203  H1  HOH A  68       4.873   7.806  12.435  1.00  0.00           H  
+HETATM  204  H2  HOH A  68       3.454   7.364  12.721  1.00  0.00           H  
+HETATM  205  O   HOH A  69       0.997  -2.108  -5.027  1.00  0.00           O  
+HETATM  206  H1  HOH A  69       0.805  -1.266  -5.439  1.00  0.00           H  
+HETATM  207  H2  HOH A  69       0.177  -2.361  -4.603  1.00  0.00           H  
+HETATM  208  O   HOH A  70       5.866   4.861   6.438  1.00  0.00           O  
+HETATM  209  H1  HOH A  70       6.460   5.596   6.288  1.00  0.00           H  
+HETATM  210  H2  HOH A  70       5.065   5.265   6.774  1.00  0.00           H  
+HETATM  211  O   HOH A  71      12.694  20.960  18.804  1.00  0.00           O  
+HETATM  212  H1  HOH A  71      13.635  20.867  18.954  1.00  0.00           H  
+HETATM  213  H2  HOH A  71      12.291  20.677  19.625  1.00  0.00           H  
+HETATM  214  O   HOH A  72       7.025  12.966  14.430  1.00  0.00           O  
+HETATM  215  H1  HOH A  72       6.194  12.836  13.973  1.00  0.00           H  
+HETATM  216  H2  HOH A  72       7.218  13.896  14.316  1.00  0.00           H  
+HETATM  217  O   HOH A  73      12.473   9.675   0.254  1.00  0.00           O  
+HETATM  218  H1  HOH A  73      11.744  10.089  -0.208  1.00  0.00           H  
+HETATM  219  H2  HOH A  73      12.712   8.929  -0.296  1.00  0.00           H  
+HETATM  220  O   HOH A  74      10.414  23.848   1.348  1.00  0.00           O  
+HETATM  221  H1  HOH A  74      10.192  24.516   1.997  1.00  0.00           H  
+HETATM  222  H2  HOH A  74      10.848  23.160   1.851  1.00  0.00           H  
+HETATM  223  O   HOH A  75      24.494 -13.332  10.176  1.00  0.00           O  
+HETATM  224  H1  HOH A  75      23.710 -12.783  10.179  1.00  0.00           H  
+HETATM  225  H2  HOH A  75      25.039 -12.976  10.878  1.00  0.00           H  
+HETATM  226  O   HOH A  76      16.701 -15.394   4.262  1.00  0.00           O  
+HETATM  227  H1  HOH A  76      16.328 -14.515   4.327  1.00  0.00           H  
+HETATM  228  H2  HOH A  76      16.227 -15.802   3.537  1.00  0.00           H  
+HETATM  229  O   HOH A  77      -6.891  -6.309   2.403  1.00  0.00           O  
+HETATM  230  H1  HOH A  77      -6.711  -6.961   3.080  1.00  0.00           H  
+HETATM  231  H2  HOH A  77      -7.043  -5.497   2.886  1.00  0.00           H  
+HETATM  232  O   HOH A  78      11.895  -1.189   5.946  1.00  0.00           O  
+HETATM  233  H1  HOH A  78      12.079  -1.350   6.872  1.00  0.00           H  
+HETATM  234  H2  HOH A  78      11.403  -0.367   5.939  1.00  0.00           H  
+HETATM  235  O   HOH A  79       0.176  -5.324  -7.799  1.00  0.00           O  
+HETATM  236  H1  HOH A  79      -0.736  -5.614  -7.828  1.00  0.00           H  
+HETATM  237  H2  HOH A  79       0.493  -5.615  -6.944  1.00  0.00           H  
+HETATM  238  O   HOH A  80     -10.417   1.229   9.286  1.00  0.00           O  
+HETATM  239  H1  HOH A  80      -9.670   1.750   9.580  1.00  0.00           H  
+HETATM  240  H2  HOH A  80     -10.918   1.822   8.725  1.00  0.00           H  
+HETATM  241  O   HOH A  81       5.285  23.794  -3.904  1.00  0.00           O  
+HETATM  242  H1  HOH A  81       5.089  23.104  -4.539  1.00  0.00           H  
+HETATM  243  H2  HOH A  81       4.830  24.566  -4.241  1.00  0.00           H  
+HETATM  244  O   HOH A  82      -3.592   6.756   1.891  1.00  0.00           O  
+HETATM  245  H1  HOH A  82      -3.142   6.725   2.735  1.00  0.00           H  
+HETATM  246  H2  HOH A  82      -3.920   5.866   1.760  1.00  0.00           H  
+HETATM  247  O   HOH A  83      -3.698  15.602   3.010  1.00  0.00           O  
+HETATM  248  H1  HOH A  83      -4.359  16.026   2.462  1.00  0.00           H  
+HETATM  249  H2  HOH A  83      -4.203  15.097   3.647  1.00  0.00           H  
+HETATM  250  O   HOH A  84      -6.239   8.901  14.011  1.00  0.00           O  
+HETATM  251  H1  HOH A  84      -5.561   8.666  13.377  1.00  0.00           H  
+HETATM  252  H2  HOH A  84      -5.874   9.646  14.488  1.00  0.00           H  
+HETATM  253  O   HOH A  85      -6.095  -3.378   9.559  1.00  0.00           O  
+HETATM  254  H1  HOH A  85      -6.851  -3.783   9.986  1.00  0.00           H  
+HETATM  255  H2  HOH A  85      -5.719  -4.077   9.024  1.00  0.00           H  
+HETATM  256  O   HOH A  86      -1.708  10.215   8.068  1.00  0.00           O  
+HETATM  257  H1  HOH A  86      -2.043   9.816   8.871  1.00  0.00           H  
+HETATM  258  H2  HOH A  86      -1.474  11.108   8.323  1.00  0.00           H  
+HETATM  259  O   HOH A  87       6.911   9.563  -9.766  1.00  0.00           O  
+HETATM  260  H1  HOH A  87       7.400   8.740  -9.771  1.00  0.00           H  
+HETATM  261  H2  HOH A  87       7.283  10.057  -9.035  1.00  0.00           H  
+HETATM  262  O   HOH A  88       6.558   0.645  -5.000  1.00  0.00           O  
+HETATM  263  H1  HOH A  88       5.714   0.195  -4.973  1.00  0.00           H  
+HETATM  264  H2  HOH A  88       7.030   0.317  -4.234  1.00  0.00           H  
+HETATM  265  O   HOH A  89      16.292   6.287   4.379  1.00  0.00           O  
+HETATM  266  H1  HOH A  89      16.895   7.025   4.464  1.00  0.00           H  
+HETATM  267  H2  HOH A  89      15.615   6.453   5.035  1.00  0.00           H  
+HETATM  268  O   HOH A  90       6.169   7.821  17.758  1.00  0.00           O  
+HETATM  269  H1  HOH A  90       6.462   6.912  17.687  1.00  0.00           H  
+HETATM  270  H2  HOH A  90       5.888   8.052  16.873  1.00  0.00           H  
+HETATM  271  O   HOH A  91       2.279  -5.636  -2.920  1.00  0.00           O  
+HETATM  272  H1  HOH A  91       1.417  -5.836  -2.554  1.00  0.00           H  
+HETATM  273  H2  HOH A  91       2.136  -5.608  -3.866  1.00  0.00           H  
+HETATM  274  O   HOH A  92       3.410   7.040   9.307  1.00  0.00           O  
+HETATM  275  H1  HOH A  92       3.941   7.469   8.636  1.00  0.00           H  
+HETATM  276  H2  HOH A  92       2.718   7.671   9.505  1.00  0.00           H  
+HETATM  277  O   HOH A  93       4.475  -1.049  -1.693  1.00  0.00           O  
+HETATM  278  H1  HOH A  93       3.779  -0.447  -1.958  1.00  0.00           H  
+HETATM  279  H2  HOH A  93       4.493  -1.713  -2.382  1.00  0.00           H  
+HETATM  280  O   HOH A  94      15.958  25.682  17.958  1.00  0.00           O  
+HETATM  281  H1  HOH A  94      15.952  25.880  18.895  1.00  0.00           H  
+HETATM  282  H2  HOH A  94      15.231  25.071  17.837  1.00  0.00           H  
+HETATM  283  O   HOH A  95      18.241  -0.011  -2.612  1.00  0.00           O  
+HETATM  284  H1  HOH A  95      17.774  -0.685  -3.106  1.00  0.00           H  
+HETATM  285  H2  HOH A  95      19.122  -0.005  -2.987  1.00  0.00           H  
+HETATM  286  O   HOH A  96       0.316  -0.359   0.159  1.00  0.00           O  
+HETATM  287  H1  HOH A  96      -0.461  -0.543   0.687  1.00  0.00           H  
+HETATM  288  H2  HOH A  96      -0.004  -0.343  -0.743  1.00  0.00           H  
+HETATM  289  O   HOH A  97      -1.262  10.290  13.703  1.00  0.00           O  
+HETATM  290  H1  HOH A  97      -1.476   9.655  14.387  1.00  0.00           H  
+HETATM  291  H2  HOH A  97      -2.102  10.688  13.474  1.00  0.00           H  
+HETATM  292  O   HOH A  98       7.891  12.185  20.161  1.00  0.00           O  
+HETATM  293  H1  HOH A  98       7.337  12.958  20.271  1.00  0.00           H  
+HETATM  294  H2  HOH A  98       7.786  11.943  19.241  1.00  0.00           H  
+HETATM  295  O   HOH A  99       2.245  -3.383 -14.255  1.00  0.00           O  
+HETATM  296  H1  HOH A  99       1.840  -3.145 -15.089  1.00  0.00           H  
+HETATM  297  H2  HOH A  99       2.951  -3.983 -14.494  1.00  0.00           H  
+HETATM  298  O   HOH A 100      -6.542  -0.810 -15.643  1.00  0.00           O  
+HETATM  299  H1  HOH A 100      -6.621  -0.990 -14.706  1.00  0.00           H  
+HETATM  300  H2  HOH A 100      -7.296  -1.249 -16.036  1.00  0.00           H  
+HETATM  301  O   HOH A 101       6.109   2.434  -0.057  1.00  0.00           O  
+HETATM  302  H1  HOH A 101       6.789   2.865   0.461  1.00  0.00           H  
+HETATM  303  H2  HOH A 101       6.416   1.533  -0.155  1.00  0.00           H  
+HETATM  304  O   HOH A 102     -12.620  -4.864 -10.115  1.00  0.00           O  
+HETATM  305  H1  HOH A 102     -11.729  -5.136 -10.335  1.00  0.00           H  
+HETATM  306  H2  HOH A 102     -12.940  -4.429 -10.906  1.00  0.00           H  
+HETATM  307  O   HOH A 103      -8.625  -8.040  17.444  1.00  0.00           O  
+HETATM  308  H1  HOH A 103      -9.058  -8.689  18.000  1.00  0.00           H  
+HETATM  309  H2  HOH A 103      -8.610  -8.441  16.575  1.00  0.00           H  
+HETATM  310  O   HOH A 104      -3.242   1.891   0.390  1.00  0.00           O  
+HETATM  311  H1  HOH A 104      -3.388   1.179   1.012  1.00  0.00           H  
+HETATM  312  H2  HOH A 104      -2.447   2.324   0.701  1.00  0.00           H  
+HETATM  313  O   HOH A 105       0.199   2.997  -7.132  1.00  0.00           O  
+HETATM  314  H1  HOH A 105       0.883   2.708  -7.736  1.00  0.00           H  
+HETATM  315  H2  HOH A 105       0.676   3.338  -6.375  1.00  0.00           H  
+HETATM  316  O   HOH A 106      -7.796  -0.997  -2.200  1.00  0.00           O  
+HETATM  317  H1  HOH A 106      -7.231  -0.226  -2.148  1.00  0.00           H  
+HETATM  318  H2  HOH A 106      -7.682  -1.436  -1.357  1.00  0.00           H  
+HETATM  319  O   HOH A 107       0.175  11.881   3.151  1.00  0.00           O  
+HETATM  320  H1  HOH A 107       0.844  12.238   2.566  1.00  0.00           H  
+HETATM  321  H2  HOH A 107       0.417  12.205   4.019  1.00  0.00           H  
+HETATM  322  O   HOH A 108       2.908   5.713  -2.192  1.00  0.00           O  
+HETATM  323  H1  HOH A 108       2.502   6.318  -2.812  1.00  0.00           H  
+HETATM  324  H2  HOH A 108       3.134   6.258  -1.438  1.00  0.00           H  
+HETATM  325  O   HOH A 109      -4.073  16.105  13.152  1.00  0.00           O  
+HETATM  326  H1  HOH A 109      -4.329  16.938  12.756  1.00  0.00           H  
+HETATM  327  H2  HOH A 109      -3.427  16.343  13.817  1.00  0.00           H  
+HETATM  328  O   HOH A 110      -4.368  20.350  14.661  1.00  0.00           O  
+HETATM  329  H1  HOH A 110      -5.112  20.174  15.237  1.00  0.00           H  
+HETATM  330  H2  HOH A 110      -3.689  20.691  15.244  1.00  0.00           H  
+HETATM  331  O   HOH A 111      -8.822   9.729  -3.899  1.00  0.00           O  
+HETATM  332  H1  HOH A 111      -9.634   9.490  -4.345  1.00  0.00           H  
+HETATM  333  H2  HOH A 111      -8.128   9.390  -4.466  1.00  0.00           H  
+HETATM  334  O   HOH A 112       7.574   8.924  22.811  1.00  0.00           O  
+HETATM  335  H1  HOH A 112       8.327   9.114  22.252  1.00  0.00           H  
+HETATM  336  H2  HOH A 112       6.837   8.851  22.205  1.00  0.00           H  
+HETATM  337  O   HOH A 113      13.909  -1.635   0.587  1.00  0.00           O  
+HETATM  338  H1  HOH A 113      14.330  -2.019  -0.182  1.00  0.00           H  
+HETATM  339  H2  HOH A 113      12.983  -1.859   0.491  1.00  0.00           H  
+HETATM  340  O   HOH A 114      -7.308  15.962  18.808  1.00  0.00           O  
+HETATM  341  H1  HOH A 114      -7.928  16.202  19.497  1.00  0.00           H  
+HETATM  342  H2  HOH A 114      -7.141  15.030  18.949  1.00  0.00           H  
+HETATM  343  O   HOH A 115       8.754  -5.431   8.191  1.00  0.00           O  
+HETATM  344  H1  HOH A 115       9.285  -6.165   7.881  1.00  0.00           H  
+HETATM  345  H2  HOH A 115       9.058  -4.682   7.679  1.00  0.00           H  
+HETATM  346  O   HOH A 116       1.322   6.418   0.954  1.00  0.00           O  
+HETATM  347  H1  HOH A 116       2.218   6.706   0.781  1.00  0.00           H  
+HETATM  348  H2  HOH A 116       1.406   5.491   1.176  1.00  0.00           H  
+HETATM  349  O   HOH A 117      -4.867   5.209  17.322  1.00  0.00           O  
+HETATM  350  H1  HOH A 117      -5.307   4.731  18.024  1.00  0.00           H  
+HETATM  351  H2  HOH A 117      -4.361   4.543  16.857  1.00  0.00           H  
+HETATM  352  O   HOH A 118      13.879   4.237   1.984  1.00  0.00           O  
+HETATM  353  H1  HOH A 118      13.220   4.206   2.677  1.00  0.00           H  
+HETATM  354  H2  HOH A 118      13.947   3.333   1.677  1.00  0.00           H  
+HETATM  355  O   HOH A 119      -8.948  19.642  13.301  1.00  0.00           O  
+HETATM  356  H1  HOH A 119      -8.180  19.072  13.272  1.00  0.00           H  
+HETATM  357  H2  HOH A 119      -9.403  19.391  14.105  1.00  0.00           H  
+HETATM  358  O   HOH A 120     -13.256   5.687   1.744  1.00  0.00           O  
+HETATM  359  H1  HOH A 120     -13.417   5.422   2.649  1.00  0.00           H  
+HETATM  360  H2  HOH A 120     -12.627   5.045   1.414  1.00  0.00           H  
+HETATM  361  O   HOH A 121      16.011  13.691   9.740  1.00  0.00           O  
+HETATM  362  H1  HOH A 121      15.228  13.166   9.909  1.00  0.00           H  
+HETATM  363  H2  HOH A 121      16.202  14.114  10.578  1.00  0.00           H  
+HETATM  364  O   HOH A 122       0.048  -0.096  -6.614  1.00  0.00           O  
+HETATM  365  H1  HOH A 122       0.038   0.811  -6.309  1.00  0.00           H  
+HETATM  366  H2  HOH A 122       0.770  -0.130  -7.242  1.00  0.00           H  
+HETATM  367  O   HOH A 123       0.167   7.462  -6.047  1.00  0.00           O  
+HETATM  368  H1  HOH A 123      -0.121   6.733  -6.596  1.00  0.00           H  
+HETATM  369  H2  HOH A 123       0.154   8.222  -6.629  1.00  0.00           H  
+HETATM  370  O   HOH A 124       7.577   4.037  20.089  1.00  0.00           O  
+HETATM  371  H1  HOH A 124       7.863   3.537  20.853  1.00  0.00           H  
+HETATM  372  H2  HOH A 124       8.388   4.273  19.639  1.00  0.00           H  
+HETATM  373  O   HOH A 125      10.416  20.705  10.724  1.00  0.00           O  
+HETATM  374  H1  HOH A 125      10.248  20.239  11.543  1.00  0.00           H  
+HETATM  375  H2  HOH A 125      10.546  21.616  10.988  1.00  0.00           H  
+HETATM  376  O   HOH A 126     -12.809  -1.185  10.966  1.00  0.00           O  
+HETATM  377  H1  HOH A 126     -12.179  -0.847  11.603  1.00  0.00           H  
+HETATM  378  H2  HOH A 126     -12.755  -2.136  11.057  1.00  0.00           H  
+HETATM  379  O   HOH A 127       1.720   6.981  24.888  1.00  0.00           O  
+HETATM  380  H1  HOH A 127       2.299   7.234  24.169  1.00  0.00           H  
+HETATM  381  H2  HOH A 127       1.813   7.686  25.530  1.00  0.00           H  
+HETATM  382  O   HOH A 128     -10.303  23.640  12.745  1.00  0.00           O  
+HETATM  383  H1  HOH A 128     -10.428  23.475  13.680  1.00  0.00           H  
+HETATM  384  H2  HOH A 128     -10.578  22.828  12.319  1.00  0.00           H  
+HETATM  385  O   HOH A 129     -11.278   9.351  13.879  1.00  0.00           O  
+HETATM  386  H1  HOH A 129     -11.951   9.255  14.552  1.00  0.00           H  
+HETATM  387  H2  HOH A 129     -11.244  10.292  13.706  1.00  0.00           H  
+HETATM  388  O   HOH A 130      12.746   6.933  -8.809  1.00  0.00           O  
+HETATM  389  H1  HOH A 130      13.143   6.079  -8.980  1.00  0.00           H  
+HETATM  390  H2  HOH A 130      11.878   6.729  -8.462  1.00  0.00           H  
+HETATM  391  O   HOH A 131       6.729   3.499   8.477  1.00  0.00           O  
+HETATM  392  H1  HOH A 131       6.613   3.870   7.602  1.00  0.00           H  
+HETATM  393  H2  HOH A 131       6.411   4.180   9.069  1.00  0.00           H  
+HETATM  394  O   HOH A 132     -13.181   8.681   2.359  1.00  0.00           O  
+HETATM  395  H1  HOH A 132     -13.185   7.778   2.041  1.00  0.00           H  
+HETATM  396  H2  HOH A 132     -13.425   9.205   1.595  1.00  0.00           H  
+HETATM  397  O   HOH A 133       5.985   1.524   3.854  1.00  0.00           O  
+HETATM  398  H1  HOH A 133       5.796   0.913   3.142  1.00  0.00           H  
+HETATM  399  H2  HOH A 133       6.888   1.800   3.700  1.00  0.00           H  
+HETATM  400  O   HOH A 134       3.830   7.082  18.737  1.00  0.00           O  
+HETATM  401  H1  HOH A 134       4.313   6.452  19.273  1.00  0.00           H  
+HETATM  402  H2  HOH A 134       4.477   7.752  18.513  1.00  0.00           H  
+HETATM  403  O   HOH A 135      -6.858   4.097   3.652  1.00  0.00           O  
+HETATM  404  H1  HOH A 135      -7.687   4.056   4.129  1.00  0.00           H  
+HETATM  405  H2  HOH A 135      -6.192   4.169   4.335  1.00  0.00           H  
+HETATM  406  O   HOH A 136      -1.364  10.074   1.129  1.00  0.00           O  
+HETATM  407  H1  HOH A 136      -2.259  10.145   1.461  1.00  0.00           H  
+HETATM  408  H2  HOH A 136      -0.839   9.857   1.898  1.00  0.00           H  
+HETATM  409  O   HOH A 137       7.821  15.716  -4.245  1.00  0.00           O  
+HETATM  410  H1  HOH A 137       8.465  16.021  -4.883  1.00  0.00           H  
+HETATM  411  H2  HOH A 137       8.183  15.973  -3.397  1.00  0.00           H  
+HETATM  412  O   HOH A 138      -6.175   7.612  -1.833  1.00  0.00           O  
+HETATM  413  H1  HOH A 138      -5.599   6.868  -2.009  1.00  0.00           H  
+HETATM  414  H2  HOH A 138      -6.316   8.015  -2.690  1.00  0.00           H  
+HETATM  415  O   HOH A 139      17.197  -2.216  11.521  1.00  0.00           O  
+HETATM  416  H1  HOH A 139      17.775  -2.951  11.725  1.00  0.00           H  
+HETATM  417  H2  HOH A 139      17.748  -1.440  11.631  1.00  0.00           H  
+HETATM  418  O   HOH A 140      -0.651   9.592  10.994  1.00  0.00           O  
+HETATM  419  H1  HOH A 140      -1.450   9.080  11.119  1.00  0.00           H  
+HETATM  420  H2  HOH A 140      -0.500  10.012  11.840  1.00  0.00           H  
+HETATM  421  O   HOH A 141      -1.114  11.019  17.316  1.00  0.00           O  
+HETATM  422  H1  HOH A 141      -1.007  10.710  18.216  1.00  0.00           H  
+HETATM  423  H2  HOH A 141      -0.573  11.808  17.267  1.00  0.00           H  
+HETATM  424  O   HOH A 142      -1.039   1.810 -12.116  1.00  0.00           O  
+HETATM  425  H1  HOH A 142      -1.084   2.252 -12.963  1.00  0.00           H  
+HETATM  426  H2  HOH A 142      -0.283   1.227 -12.189  1.00  0.00           H  
+HETATM  427  O   HOH A 143       4.458  -5.448 -14.582  1.00  0.00           O  
+HETATM  428  H1  HOH A 143       5.110  -6.112 -14.358  1.00  0.00           H  
+HETATM  429  H2  HOH A 143       3.699  -5.948 -14.882  1.00  0.00           H  
+HETATM  430  O   HOH A 144     -12.083  12.539  -1.143  1.00  0.00           O  
+HETATM  431  H1  HOH A 144     -11.653  12.948  -1.894  1.00  0.00           H  
+HETATM  432  H2  HOH A 144     -12.317  13.271  -0.573  1.00  0.00           H  
+HETATM  433  O   HOH A 145      -1.655  16.374  15.399  1.00  0.00           O  
+HETATM  434  H1  HOH A 145      -2.395  16.525  15.987  1.00  0.00           H  
+HETATM  435  H2  HOH A 145      -1.538  15.424  15.401  1.00  0.00           H  
+HETATM  436  O   HOH A 146      -2.104  -1.220   1.450  1.00  0.00           O  
+HETATM  437  H1  HOH A 146      -1.873  -1.245   2.379  1.00  0.00           H  
+HETATM  438  H2  HOH A 146      -3.057  -1.314   1.437  1.00  0.00           H  
+HETATM  439  O   HOH A 147      -1.853  13.770  -3.466  1.00  0.00           O  
+HETATM  440  H1  HOH A 147      -2.633  13.493  -2.985  1.00  0.00           H  
+HETATM  441  H2  HOH A 147      -2.028  13.519  -4.373  1.00  0.00           H  
+HETATM  442  O   HOH A 148       8.092  -0.232  15.781  1.00  0.00           O  
+HETATM  443  H1  HOH A 148       8.878  -0.778  15.816  1.00  0.00           H  
+HETATM  444  H2  HOH A 148       8.004   0.117  16.668  1.00  0.00           H  
+HETATM  445  O   HOH A 149      -8.162  -4.895  -8.005  1.00  0.00           O  
+HETATM  446  H1  HOH A 149      -8.799  -5.127  -8.681  1.00  0.00           H  
+HETATM  447  H2  HOH A 149      -8.286  -5.553  -7.322  1.00  0.00           H  
+HETATM  448  O   HOH A 150       6.651  18.532  -0.537  1.00  0.00           O  
+HETATM  449  H1  HOH A 150       6.517  18.139   0.325  1.00  0.00           H  
+HETATM  450  H2  HOH A 150       5.904  18.234  -1.056  1.00  0.00           H  
+HETATM  451  O   HOH A 151       3.536  16.933   6.968  1.00  0.00           O  
+HETATM  452  H1  HOH A 151       4.079  17.257   7.686  1.00  0.00           H  
+HETATM  453  H2  HOH A 151       4.011  16.174   6.632  1.00  0.00           H  
+HETATM  454  O   HOH A 152      -0.464   2.511  19.245  1.00  0.00           O  
+HETATM  455  H1  HOH A 152       0.040   1.711  19.391  1.00  0.00           H  
+HETATM  456  H2  HOH A 152       0.100   3.213  19.569  1.00  0.00           H  
+HETATM  457  O   HOH A 153      23.948  -3.877   6.072  1.00  0.00           O  
+HETATM  458  H1  HOH A 153      24.739  -3.419   5.786  1.00  0.00           H  
+HETATM  459  H2  HOH A 153      23.672  -4.381   5.306  1.00  0.00           H  
+HETATM  460  O   HOH A 154      -5.455  -1.033 -10.333  1.00  0.00           O  
+HETATM  461  H1  HOH A 154      -4.522  -0.903 -10.164  1.00  0.00           H  
+HETATM  462  H2  HOH A 154      -5.649  -1.892  -9.957  1.00  0.00           H  
+HETATM  463  O   HOH A 155       0.977  12.346  13.299  1.00  0.00           O  
+HETATM  464  H1  HOH A 155       0.277  11.813  13.674  1.00  0.00           H  
+HETATM  465  H2  HOH A 155       1.704  11.735  13.174  1.00  0.00           H  
+HETATM  466  O   HOH A 156     -10.915 -11.888   6.040  1.00  0.00           O  
+HETATM  467  H1  HOH A 156     -10.864 -11.253   5.325  1.00  0.00           H  
+HETATM  468  H2  HOH A 156     -10.399 -11.498   6.745  1.00  0.00           H  
+HETATM  469  O   HOH A 157      -1.258  33.426   1.035  1.00  0.00           O  
+HETATM  470  H1  HOH A 157      -2.002  34.023   0.950  1.00  0.00           H  
+HETATM  471  H2  HOH A 157      -1.578  32.725   1.603  1.00  0.00           H  
+HETATM  472  O   HOH A 158       1.499  19.999   9.643  1.00  0.00           O  
+HETATM  473  H1  HOH A 158       2.441  20.080   9.793  1.00  0.00           H  
+HETATM  474  H2  HOH A 158       1.428  19.527   8.813  1.00  0.00           H  
+HETATM  475  O   HOH A 159     -16.069  10.432  -6.547  1.00  0.00           O  
+HETATM  476  H1  HOH A 159     -15.637   9.691  -6.123  1.00  0.00           H  
+HETATM  477  H2  HOH A 159     -16.206  10.145  -7.450  1.00  0.00           H  
+HETATM  478  O   HOH A 160      -2.422  14.039  -6.145  1.00  0.00           O  
+HETATM  479  H1  HOH A 160      -3.076  14.729  -6.026  1.00  0.00           H  
+HETATM  480  H2  HOH A 160      -2.931  13.230  -6.180  1.00  0.00           H  
+HETATM  481  O   HOH A 161       3.119  10.811   5.524  1.00  0.00           O  
+HETATM  482  H1  HOH A 161       2.272  10.709   5.959  1.00  0.00           H  
+HETATM  483  H2  HOH A 161       3.747  10.904   6.240  1.00  0.00           H  
+HETATM  484  O   HOH A 162      -2.854  14.500   7.161  1.00  0.00           O  
+HETATM  485  H1  HOH A 162      -2.156  15.144   7.277  1.00  0.00           H  
+HETATM  486  H2  HOH A 162      -3.008  14.152   8.039  1.00  0.00           H  
+HETATM  487  O   HOH A 163      20.521  -9.496   9.620  1.00  0.00           O  
+HETATM  488  H1  HOH A 163      19.623  -9.350   9.918  1.00  0.00           H  
+HETATM  489  H2  HOH A 163      20.639  -8.875   8.902  1.00  0.00           H  
+HETATM  490  O   HOH A 164      -0.948   8.404   5.020  1.00  0.00           O  
+HETATM  491  H1  HOH A 164      -1.686   8.990   5.186  1.00  0.00           H  
+HETATM  492  H2  HOH A 164      -0.425   8.858   4.359  1.00  0.00           H  
+HETATM  493  O   HOH A 165       4.364  11.295  -2.888  1.00  0.00           O  
+HETATM  494  H1  HOH A 165       3.649  11.928  -2.962  1.00  0.00           H  
+HETATM  495  H2  HOH A 165       5.124  11.821  -2.637  1.00  0.00           H  
+HETATM  496  O   HOH A 166      -0.938  -2.334   7.281  1.00  0.00           O  
+HETATM  497  H1  HOH A 166      -1.591  -1.772   7.698  1.00  0.00           H  
+HETATM  498  H2  HOH A 166      -0.581  -1.800   6.571  1.00  0.00           H  
+HETATM  499  O   HOH A 167      11.179  20.511   2.433  1.00  0.00           O  
+HETATM  500  H1  HOH A 167      11.496  19.735   2.896  1.00  0.00           H  
+HETATM  501  H2  HOH A 167      11.424  21.243   2.998  1.00  0.00           H  
+HETATM  502  O   HOH A 168     -13.627  -0.301   2.009  1.00  0.00           O  
+HETATM  503  H1  HOH A 168     -14.102  -0.263   2.840  1.00  0.00           H  
+HETATM  504  H2  HOH A 168     -14.279  -0.599   1.374  1.00  0.00           H  
+HETATM  505  O   HOH A 169       2.390  23.175   9.463  1.00  0.00           O  
+HETATM  506  H1  HOH A 169       2.832  24.023   9.511  1.00  0.00           H  
+HETATM  507  H2  HOH A 169       2.351  22.977   8.527  1.00  0.00           H  
+HETATM  508  O   HOH A 170       6.034  -4.225   0.729  1.00  0.00           O  
+HETATM  509  H1  HOH A 170       5.962  -3.314   1.016  1.00  0.00           H  
+HETATM  510  H2  HOH A 170       5.157  -4.449   0.419  1.00  0.00           H  
+HETATM  511  O   HOH A 171     -17.189  15.145   7.984  1.00  0.00           O  
+HETATM  512  H1  HOH A 171     -16.715  15.872   7.580  1.00  0.00           H  
+HETATM  513  H2  HOH A 171     -18.107  15.308   7.768  1.00  0.00           H  
+HETATM  514  O   HOH A 172       0.715   3.054   4.388  1.00  0.00           O  
+HETATM  515  H1  HOH A 172       1.100   3.486   3.626  1.00  0.00           H  
+HETATM  516  H2  HOH A 172      -0.212   3.289   4.354  1.00  0.00           H  
+HETATM  517  O   HOH A 173      15.967  10.339 -13.092  1.00  0.00           O  
+HETATM  518  H1  HOH A 173      16.368  11.133 -13.448  1.00  0.00           H  
+HETATM  519  H2  HOH A 173      16.231  10.328 -12.172  1.00  0.00           H  
+HETATM  520  O   HOH A 174      -4.458  13.005 -17.921  1.00  0.00           O  
+HETATM  521  H1  HOH A 174      -5.084  12.409 -17.509  1.00  0.00           H  
+HETATM  522  H2  HOH A 174      -3.669  12.932 -17.385  1.00  0.00           H  
+HETATM  523  O   HOH A 175      23.587   4.127   4.063  1.00  0.00           O  
+HETATM  524  H1  HOH A 175      23.853   4.306   4.966  1.00  0.00           H  
+HETATM  525  H2  HOH A 175      23.667   3.178   3.973  1.00  0.00           H  
+HETATM  526  O   HOH A 176       6.379  14.770  -7.521  1.00  0.00           O  
+HETATM  527  H1  HOH A 176       6.454  14.309  -8.356  1.00  0.00           H  
+HETATM  528  H2  HOH A 176       5.754  14.251  -7.014  1.00  0.00           H  
+HETATM  529  O   HOH A 177       1.633   3.462  13.737  1.00  0.00           O  
+HETATM  530  H1  HOH A 177       0.975   3.488  14.432  1.00  0.00           H  
+HETATM  531  H2  HOH A 177       1.987   2.573  13.775  1.00  0.00           H  
+HETATM  532  O   HOH A 178       8.894  17.141   8.737  1.00  0.00           O  
+HETATM  533  H1  HOH A 178       8.609  16.952   9.631  1.00  0.00           H  
+HETATM  534  H2  HOH A 178       8.584  18.031   8.570  1.00  0.00           H  
+HETATM  535  O   HOH A 179      22.049   8.478  22.912  1.00  0.00           O  
+HETATM  536  H1  HOH A 179      22.744   8.678  22.285  1.00  0.00           H  
+HETATM  537  H2  HOH A 179      21.950   9.280  23.425  1.00  0.00           H  
+HETATM  538  O   HOH A 180     -26.909  21.534  -3.783  1.00  0.00           O  
+HETATM  539  H1  HOH A 180     -27.511  22.238  -3.540  1.00  0.00           H  
+HETATM  540  H2  HOH A 180     -27.389  21.022  -4.434  1.00  0.00           H  
+HETATM  541  O   HOH A 181       9.395  12.581  -5.662  1.00  0.00           O  
+HETATM  542  H1  HOH A 181       8.549  12.698  -5.231  1.00  0.00           H  
+HETATM  543  H2  HOH A 181      10.003  12.384  -4.950  1.00  0.00           H  
+HETATM  544  O   HOH A 182       7.301  16.452   5.186  1.00  0.00           O  
+HETATM  545  H1  HOH A 182       7.054  17.247   5.659  1.00  0.00           H  
+HETATM  546  H2  HOH A 182       8.195  16.268   5.474  1.00  0.00           H  
+HETATM  547  O   HOH A 183      -8.948  15.854   6.650  1.00  0.00           O  
+HETATM  548  H1  HOH A 183      -9.295  16.339   7.399  1.00  0.00           H  
+HETATM  549  H2  HOH A 183      -8.195  16.368   6.359  1.00  0.00           H  
+HETATM  550  O   HOH A 184       9.028   7.400   8.764  1.00  0.00           O  
+HETATM  551  H1  HOH A 184       9.279   6.478   8.719  1.00  0.00           H  
+HETATM  552  H2  HOH A 184       8.783   7.538   9.679  1.00  0.00           H  
+HETATM  553  O   HOH A 185       8.788  15.575  -1.661  1.00  0.00           O  
+HETATM  554  H1  HOH A 185       8.658  16.301  -1.050  1.00  0.00           H  
+HETATM  555  H2  HOH A 185       9.354  14.964  -1.190  1.00  0.00           H  
+HETATM  556  O   HOH A 186      -5.203  15.146   5.599  1.00  0.00           O  
+HETATM  557  H1  HOH A 186      -4.434  15.016   6.154  1.00  0.00           H  
+HETATM  558  H2  HOH A 186      -5.427  16.070   5.712  1.00  0.00           H  
+HETATM  559  O   HOH A 187      22.068  15.302  13.021  1.00  0.00           O  
+HETATM  560  H1  HOH A 187      21.751  15.558  12.155  1.00  0.00           H  
+HETATM  561  H2  HOH A 187      21.383  15.594  13.623  1.00  0.00           H  
+HETATM  562  O   HOH A 188      -6.145   1.665  -9.728  1.00  0.00           O  
+HETATM  563  H1  HOH A 188      -6.802   1.757  -9.038  1.00  0.00           H  
+HETATM  564  H2  HOH A 188      -5.986   0.723  -9.784  1.00  0.00           H  
+HETATM  565  O   HOH A 189      22.307  18.331   4.239  1.00  0.00           O  
+HETATM  566  H1  HOH A 189      22.058  17.678   4.893  1.00  0.00           H  
+HETATM  567  H2  HOH A 189      21.526  18.873   4.132  1.00  0.00           H  
+HETATM  568  O   HOH A 190      20.799  21.783  -1.917  1.00  0.00           O  
+HETATM  569  H1  HOH A 190      21.199  22.604  -2.203  1.00  0.00           H  
+HETATM  570  H2  HOH A 190      19.858  21.926  -2.022  1.00  0.00           H  
+HETATM  571  O   HOH A 191      15.390  26.838  -6.023  1.00  0.00           O  
+HETATM  572  H1  HOH A 191      15.176  26.018  -6.468  1.00  0.00           H  
+HETATM  573  H2  HOH A 191      16.122  26.615  -5.448  1.00  0.00           H  
+HETATM  574  O   HOH A 192      -3.532  -7.074  12.845  1.00  0.00           O  
+HETATM  575  H1  HOH A 192      -4.261  -7.092  12.225  1.00  0.00           H  
+HETATM  576  H2  HOH A 192      -3.869  -7.512  13.626  1.00  0.00           H  
+HETATM  577  O   HOH A 193     -14.005  12.695  12.778  1.00  0.00           O  
+HETATM  578  H1  HOH A 193     -14.525  11.899  12.666  1.00  0.00           H  
+HETATM  579  H2  HOH A 193     -14.645  13.368  13.009  1.00  0.00           H  
+HETATM  580  O   HOH A 194      -8.419 -17.673   5.838  1.00  0.00           O  
+HETATM  581  H1  HOH A 194      -8.126 -16.807   6.120  1.00  0.00           H  
+HETATM  582  H2  HOH A 194      -9.369 -17.653   5.952  1.00  0.00           H  
+HETATM  583  O   HOH A 195      -4.151   9.432   1.927  1.00  0.00           O  
+HETATM  584  H1  HOH A 195      -3.986   8.490   1.970  1.00  0.00           H  
+HETATM  585  H2  HOH A 195      -4.882   9.520   1.315  1.00  0.00           H  
+HETATM  586  O   HOH A 196      -9.127   9.672 -16.301  1.00  0.00           O  
+HETATM  587  H1  HOH A 196      -9.258   9.164 -17.102  1.00  0.00           H  
+HETATM  588  H2  HOH A 196      -9.170  10.585 -16.586  1.00  0.00           H  
+HETATM  589  O   HOH A 197      10.535   8.067  -6.954  1.00  0.00           O  
+HETATM  590  H1  HOH A 197      11.127   8.309  -6.241  1.00  0.00           H  
+HETATM  591  H2  HOH A 197      10.655   8.755  -7.609  1.00  0.00           H  
+HETATM  592  O   HOH A 198      -2.306  -5.901 -16.232  1.00  0.00           O  
+HETATM  593  H1  HOH A 198      -1.553  -6.488 -16.293  1.00  0.00           H  
+HETATM  594  H2  HOH A 198      -2.419  -5.752 -15.293  1.00  0.00           H  
+HETATM  595  O   HOH A 199      20.099  12.043   8.822  1.00  0.00           O  
+HETATM  596  H1  HOH A 199      20.848  12.634   8.743  1.00  0.00           H  
+HETATM  597  H2  HOH A 199      19.540  12.451   9.483  1.00  0.00           H  
+HETATM  598  O   HOH A 200      12.557  -6.180   6.061  1.00  0.00           O  
+HETATM  599  H1  HOH A 200      13.004  -6.778   5.462  1.00  0.00           H  
+HETATM  600  H2  HOH A 200      12.847  -5.308   5.790  1.00  0.00           H  
+HETATM  601  O   HOH A 201       0.151  18.168  22.914  1.00  0.00           O  
+HETATM  602  H1  HOH A 201      -0.787  17.978  22.911  1.00  0.00           H  
+HETATM  603  H2  HOH A 201       0.495  17.690  22.159  1.00  0.00           H  
+HETATM  604  O   HOH A 202       5.086   8.817  15.455  1.00  0.00           O  
+HETATM  605  H1  HOH A 202       4.460   8.498  14.804  1.00  0.00           H  
+HETATM  606  H2  HOH A 202       4.797   9.709  15.648  1.00  0.00           H  
+HETATM  607  O   HOH A 203       8.595   2.433   3.316  1.00  0.00           O  
+HETATM  608  H1  HOH A 203       9.423   2.014   3.082  1.00  0.00           H  
+HETATM  609  H2  HOH A 203       8.849   3.179   3.860  1.00  0.00           H  
+HETATM  610  O   HOH A 204      -8.764  16.548   2.286  1.00  0.00           O  
+HETATM  611  H1  HOH A 204      -8.590  15.880   2.950  1.00  0.00           H  
+HETATM  612  H2  HOH A 204      -9.712  16.521   2.162  1.00  0.00           H  
+HETATM  613  O   HOH A 205     -17.932   8.408   2.860  1.00  0.00           O  
+HETATM  614  H1  HOH A 205     -17.059   8.526   3.233  1.00  0.00           H  
+HETATM  615  H2  HOH A 205     -17.836   7.677   2.249  1.00  0.00           H  
+HETATM  616  O   HOH A 206      -4.851   4.500  -9.536  1.00  0.00           O  
+HETATM  617  H1  HOH A 206      -3.963   4.265  -9.807  1.00  0.00           H  
+HETATM  618  H2  HOH A 206      -5.333   3.673  -9.554  1.00  0.00           H  
+HETATM  619  O   HOH A 207      11.257  21.829   7.253  1.00  0.00           O  
+HETATM  620  H1  HOH A 207      11.760  21.382   7.934  1.00  0.00           H  
+HETATM  621  H2  HOH A 207      10.668  22.411   7.733  1.00  0.00           H  
+HETATM  622  O   HOH A 208      -2.459   2.106  -2.191  1.00  0.00           O  
+HETATM  623  H1  HOH A 208      -2.703   1.861  -1.299  1.00  0.00           H  
+HETATM  624  H2  HOH A 208      -1.656   1.615  -2.364  1.00  0.00           H  
+HETATM  625  O   HOH A 209      14.815  15.607  -1.568  1.00  0.00           O  
+HETATM  626  H1  HOH A 209      14.835  14.754  -1.135  1.00  0.00           H  
+HETATM  627  H2  HOH A 209      14.054  15.564  -2.147  1.00  0.00           H  
+HETATM  628  O   HOH A 210      -5.098  12.805   8.665  1.00  0.00           O  
+HETATM  629  H1  HOH A 210      -5.585  12.172   9.192  1.00  0.00           H  
+HETATM  630  H2  HOH A 210      -5.232  12.518   7.761  1.00  0.00           H  
+HETATM  631  O   HOH A 211       5.159  18.374   8.422  1.00  0.00           O  
+HETATM  632  H1  HOH A 211       5.460  18.010   9.255  1.00  0.00           H  
+HETATM  633  H2  HOH A 211       4.769  19.217   8.655  1.00  0.00           H  
+HETATM  634  O   HOH A 212       8.820  16.008  11.361  1.00  0.00           O  
+HETATM  635  H1  HOH A 212       7.986  15.559  11.223  1.00  0.00           H  
+HETATM  636  H2  HOH A 212       9.481  15.323  11.259  1.00  0.00           H  
+HETATM  637  O   HOH A 213       0.931  -5.586   5.793  1.00  0.00           O  
+HETATM  638  H1  HOH A 213       1.032  -5.645   6.743  1.00  0.00           H  
+HETATM  639  H2  HOH A 213       1.284  -4.726   5.567  1.00  0.00           H  
+HETATM  640  O   HOH A 214       8.779 -13.492  15.698  1.00  0.00           O  
+HETATM  641  H1  HOH A 214       9.287 -12.871  16.220  1.00  0.00           H  
+HETATM  642  H2  HOH A 214       8.033 -13.718  16.252  1.00  0.00           H  
+HETATM  643  O   HOH A 215      -2.551   3.945   7.658  1.00  0.00           O  
+HETATM  644  H1  HOH A 215      -1.946   3.249   7.399  1.00  0.00           H  
+HETATM  645  H2  HOH A 215      -2.060   4.755   7.514  1.00  0.00           H  
+HETATM  646  O   HOH A 216      10.223   6.579  -1.004  1.00  0.00           O  
+HETATM  647  H1  HOH A 216      10.388   6.114  -0.184  1.00  0.00           H  
+HETATM  648  H2  HOH A 216      11.094   6.800  -1.334  1.00  0.00           H  
+TER     649      HOH A 216
+END
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/old-liquid.pdb b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/old-liquid.pdb
new file mode 100644
index 000000000..153b01203
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/old-liquid.pdb
@@ -0,0 +1,654 @@
+TITLE     Generated by filecnv.py : Water Cubic Box (18.643 Ang, 216 AMOEBA)
+REMARK    THIS IS A SIMULATION BOX
+CRYST1   18.640   18.640   18.640  90.00  90.00  90.00 P 1           1
+MODEL        1
+ATOM      1  O   HOH     1       8.039   5.868   0.493  1.00  0.00            
+ATOM      2 H1   HOH     1       7.581   5.023   0.404  1.00  0.00            
+ATOM      3 H2   HOH     1       8.287   6.062  -0.397  1.00  0.00            
+ATOM      4  O   HOH     2       0.115  -8.877   6.446  1.00  0.00            
+ATOM      5 H1   HOH     2       0.959  -8.446   6.405  1.00  0.00            
+ATOM      6 H2   HOH     2       0.247  -9.794   6.138  1.00  0.00            
+ATOM      7  O   HOH     3      -6.576  -0.253   8.105  1.00  0.00            
+ATOM      8 H1   HOH     3      -6.646   0.690   7.896  1.00  0.00            
+ATOM      9 H2   HOH     3      -6.685  -0.401   9.104  1.00  0.00            
+ATOM     10  O   HOH     4       6.583   0.855  -6.669  1.00  0.00            
+ATOM     11 H1   HOH     4       6.260   0.887  -5.765  1.00  0.00            
+ATOM     12 H2   HOH     4       6.169   0.053  -7.054  1.00  0.00            
+ATOM     13  O   HOH     5       5.495   6.436   1.842  1.00  0.00            
+ATOM     14 H1   HOH     5       4.774   6.561   1.208  1.00  0.00            
+ATOM     15 H2   HOH     5       6.254   6.349   1.235  1.00  0.00            
+ATOM     16  O   HOH     6      -4.665  -8.502  -2.653  1.00  0.00            
+ATOM     17 H1   HOH     6      -4.505  -8.388  -3.607  1.00  0.00            
+ATOM     18 H2   HOH     6      -5.565  -8.751  -2.596  1.00  0.00            
+ATOM     19  O   HOH     7      -7.755  -4.661   4.905  1.00  0.00            
+ATOM     20 H1   HOH     7      -7.358  -5.440   5.311  1.00  0.00            
+ATOM     21 H2   HOH     7      -7.076  -4.177   4.404  1.00  0.00            
+ATOM     22  O   HOH     8      -0.282   7.487  -7.686  1.00  0.00            
+ATOM     23 H1   HOH     8      -0.794   7.446  -6.826  1.00  0.00            
+ATOM     24 H2   HOH     8       0.170   8.381  -7.637  1.00  0.00            
+ATOM     25  O   HOH     9      -3.711  -2.262  -1.917  1.00  0.00            
+ATOM     26 H1   HOH     9      -4.424  -2.426  -2.472  1.00  0.00            
+ATOM     27 H2   HOH     9      -4.023  -2.211  -0.972  1.00  0.00            
+ATOM     28  O   HOH    10      -5.812  -5.616   0.835  1.00  0.00            
+ATOM     29 H1   HOH    10      -6.676  -5.712   1.297  1.00  0.00            
+ATOM     30 H2   HOH    10      -5.143  -5.532   1.560  1.00  0.00            
+ATOM     31  O   HOH    11       8.528   5.000   3.444  1.00  0.00            
+ATOM     32 H1   HOH    11       8.866   4.760   4.341  1.00  0.00            
+ATOM     33 H2   HOH    11       7.683   4.540   3.378  1.00  0.00            
+ATOM     34  O   HOH    12       0.063   3.962  -6.445  1.00  0.00            
+ATOM     35 H1   HOH    12      -0.645   4.454  -6.001  1.00  0.00            
+ATOM     36 H2   HOH    12       0.070   3.123  -5.989  1.00  0.00            
+ATOM     37  O   HOH    13       0.169   6.582   6.098  1.00  0.00            
+ATOM     38 H1   HOH    13       0.291   6.371   7.040  1.00  0.00            
+ATOM     39 H2   HOH    13      -0.396   5.942   5.671  1.00  0.00            
+ATOM     40  O   HOH    14       3.739   6.291   8.132  1.00  0.00            
+ATOM     41 H1   HOH    14       4.150   6.101   9.011  1.00  0.00            
+ATOM     42 H2   HOH    14       4.395   5.921   7.527  1.00  0.00            
+ATOM     43  O   HOH    15       3.250   4.562  -2.564  1.00  0.00            
+ATOM     44 H1   HOH    15       3.743   4.531  -3.375  1.00  0.00            
+ATOM     45 H2   HOH    15       2.699   5.379  -2.486  1.00  0.00            
+ATOM     46  O   HOH    16       5.618   5.202   6.376  1.00  0.00            
+ATOM     47 H1   HOH    16       5.619   5.614   5.531  1.00  0.00            
+ATOM     48 H2   HOH    16       5.490   4.269   6.211  1.00  0.00            
+ATOM     49  O   HOH    17      -8.775   6.941  -6.178  1.00  0.00            
+ATOM     50 H1   HOH    17      -8.218   7.319  -5.471  1.00  0.00            
+ATOM     51 H2   HOH    17      -9.036   7.737  -6.649  1.00  0.00            
+ATOM     52  O   HOH    18      -6.941   2.249   7.194  1.00  0.00            
+ATOM     53 H1   HOH    18      -7.367   2.209   6.349  1.00  0.00            
+ATOM     54 H2   HOH    18      -7.415   2.897   7.720  1.00  0.00            
+ATOM     55  O   HOH    19       4.829  -0.184   3.152  1.00  0.00            
+ATOM     56 H1   HOH    19       5.557   0.243   2.724  1.00  0.00            
+ATOM     57 H2   HOH    19       4.135   0.501   3.237  1.00  0.00            
+ATOM     58  O   HOH    20      -2.202  -3.107   9.171  1.00  0.00            
+ATOM     59 H1   HOH    20      -2.320  -4.072   9.247  1.00  0.00            
+ATOM     60 H2   HOH    20      -2.802  -2.935   8.421  1.00  0.00            
+ATOM     61  O   HOH    21       1.689   6.673  -2.435  1.00  0.00            
+ATOM     62 H1   HOH    21       1.972   7.519  -2.054  1.00  0.00            
+ATOM     63 H2   HOH    21       0.874   6.423  -1.954  1.00  0.00            
+ATOM     64  O   HOH    22      -9.080  -6.244  -0.882  1.00  0.00            
+ATOM     65 H1   HOH    22      -8.673  -7.043  -0.480  1.00  0.00            
+ATOM     66 H2   HOH    22      -8.364  -5.814  -1.383  1.00  0.00            
+ATOM     67  O   HOH    23      -8.657  -8.654   0.563  1.00  0.00            
+ATOM     68 H1   HOH    23      -8.178  -9.465   0.842  1.00  0.00            
+ATOM     69 H2   HOH    23      -9.453  -8.686   1.056  1.00  0.00            
+ATOM     70  O   HOH    24      -5.772  -2.632  -4.588  1.00  0.00            
+ATOM     71 H1   HOH    24      -5.457  -3.169  -5.272  1.00  0.00            
+ATOM     72 H2   HOH    24      -5.550  -1.707  -4.739  1.00  0.00            
+ATOM     73  O   HOH    25       7.237  -8.468  -6.950  1.00  0.00            
+ATOM     74 H1   HOH    25       7.990  -8.965  -7.276  1.00  0.00            
+ATOM     75 H2   HOH    25       7.508  -8.173  -6.060  1.00  0.00            
+ATOM     76  O   HOH    26      -2.377  -6.252   1.292  1.00  0.00            
+ATOM     77 H1   HOH    26      -1.831  -6.216   0.487  1.00  0.00            
+ATOM     78 H2   HOH    26      -2.393  -5.371   1.645  1.00  0.00            
+ATOM     79  O   HOH    27       0.833  -5.019   5.432  1.00  0.00            
+ATOM     80 H1   HOH    27       1.092  -5.764   4.863  1.00  0.00            
+ATOM     81 H2   HOH    27       0.148  -5.508   5.955  1.00  0.00            
+ATOM     82  O   HOH    28       7.425  -2.742   0.838  1.00  0.00            
+ATOM     83 H1   HOH    28       6.867  -2.455   1.621  1.00  0.00            
+ATOM     84 H2   HOH    28       7.152  -3.642   0.725  1.00  0.00            
+ATOM     85  O   HOH    29      -0.251   8.631   2.286  1.00  0.00            
+ATOM     86 H1   HOH    29       0.096   9.072   1.496  1.00  0.00            
+ATOM     87 H2   HOH    29       0.451   8.716   2.905  1.00  0.00            
+ATOM     88  O   HOH    30       4.778   9.024   8.252  1.00  0.00            
+ATOM     89 H1   HOH    30       4.396   8.079   8.249  1.00  0.00            
+ATOM     90 H2   HOH    30       4.683   9.287   9.179  1.00  0.00            
+ATOM     91  O   HOH    31       8.220   9.015  -2.508  1.00  0.00            
+ATOM     92 H1   HOH    31       8.519   8.140  -2.217  1.00  0.00            
+ATOM     93 H2   HOH    31       7.640   9.201  -1.814  1.00  0.00            
+ATOM     94  O   HOH    32      -7.944   1.760   4.644  1.00  0.00            
+ATOM     95 H1   HOH    32      -7.921   2.353   3.866  1.00  0.00            
+ATOM     96 H2   HOH    32      -8.706   1.129   4.460  1.00  0.00            
+ATOM     97  O   HOH    33       3.243   3.821  -8.247  1.00  0.00            
+ATOM     98 H1   HOH    33       2.832   4.291  -7.488  1.00  0.00            
+ATOM     99 H2   HOH    33       2.768   2.984  -8.262  1.00  0.00            
+ATOM    100  O   HOH    34       7.558  -8.962   2.368  1.00  0.00            
+ATOM    101 H1   HOH    34       6.660  -8.703   2.710  1.00  0.00            
+ATOM    102 H2   HOH    34       8.154  -9.119   3.115  1.00  0.00            
+ATOM    103  O   HOH    35      -8.425   3.501  -4.439  1.00  0.00            
+ATOM    104 H1   HOH    35      -7.569   3.951  -4.471  1.00  0.00            
+ATOM    105 H2   HOH    35      -8.698   3.546  -5.370  1.00  0.00            
+ATOM    106  O   HOH    36       3.884  -4.850   6.532  1.00  0.00            
+ATOM    107 H1   HOH    36       4.124  -4.040   7.026  1.00  0.00            
+ATOM    108 H2   HOH    36       3.006  -4.640   6.051  1.00  0.00            
+ATOM    109  O   HOH    37       6.206  -5.083   4.954  1.00  0.00            
+ATOM    110 H1   HOH    37       6.896  -5.351   5.633  1.00  0.00            
+ATOM    111 H2   HOH    37       5.366  -5.112   5.464  1.00  0.00            
+ATOM    112  O   HOH    38       7.035  -5.175  -0.739  1.00  0.00            
+ATOM    113 H1   HOH    38       7.853  -5.654  -0.959  1.00  0.00            
+ATOM    114 H2   HOH    38       6.781  -4.792  -1.619  1.00  0.00            
+ATOM    115  O   HOH    39      -4.412  -4.775   3.088  1.00  0.00            
+ATOM    116 H1   HOH    39      -5.065  -4.108   3.116  1.00  0.00            
+ATOM    117 H2   HOH    39      -4.659  -5.257   3.876  1.00  0.00            
+ATOM    118  O   HOH    40      -9.194  -0.001  -2.536  1.00  0.00            
+ATOM    119 H1   HOH    40      -8.589  -0.704  -2.223  1.00  0.00            
+ATOM    120 H2   HOH    40      -8.744   0.832  -2.345  1.00  0.00            
+ATOM    121  O   HOH    41       5.087   2.357   5.594  1.00  0.00            
+ATOM    122 H1   HOH    41       4.145   2.609   5.868  1.00  0.00            
+ATOM    123 H2   HOH    41       5.185   1.494   5.856  1.00  0.00            
+ATOM    124  O   HOH    42      -4.683  -6.147  -1.679  1.00  0.00            
+ATOM    125 H1   HOH    42      -4.869  -5.961  -0.746  1.00  0.00            
+ATOM    126 H2   HOH    42      -4.916  -7.050  -1.813  1.00  0.00            
+ATOM    127  O   HOH    43      -3.179  -0.054  -3.640  1.00  0.00            
+ATOM    128 H1   HOH    43      -2.225  -0.245  -3.524  1.00  0.00            
+ATOM    129 H2   HOH    43      -3.604  -0.351  -2.841  1.00  0.00            
+ATOM    130  O   HOH    44       1.046   2.676  -2.268  1.00  0.00            
+ATOM    131 H1   HOH    44       1.843   3.245  -2.357  1.00  0.00            
+ATOM    132 H2   HOH    44       1.057   2.363  -1.383  1.00  0.00            
+ATOM    133  O   HOH    45      -1.412   4.165  -2.732  1.00  0.00            
+ATOM    134 H1   HOH    45      -0.521   3.698  -2.666  1.00  0.00            
+ATOM    135 H2   HOH    45      -1.383   4.769  -1.944  1.00  0.00            
+ATOM    136  O   HOH    46      -7.660  -2.122  -1.952  1.00  0.00            
+ATOM    137 H1   HOH    46      -8.019  -2.839  -1.356  1.00  0.00            
+ATOM    138 H2   HOH    46      -7.442  -2.604  -2.817  1.00  0.00            
+ATOM    139  O   HOH    47      -1.360   1.967   2.035  1.00  0.00            
+ATOM    140 H1   HOH    47      -1.620   2.869   2.312  1.00  0.00            
+ATOM    141 H2   HOH    47      -2.179   1.451   1.920  1.00  0.00            
+ATOM    142  O   HOH    48       6.290  -4.230  -7.656  1.00  0.00            
+ATOM    143 H1   HOH    48       6.233  -4.447  -6.717  1.00  0.00            
+ATOM    144 H2   HOH    48       6.335  -5.070  -8.050  1.00  0.00            
+ATOM    145  O   HOH    49       9.159  -0.398   3.519  1.00  0.00            
+ATOM    146 H1   HOH    49       9.889  -0.447   2.916  1.00  0.00            
+ATOM    147 H2   HOH    49       8.413  -0.023   2.971  1.00  0.00            
+ATOM    148  O   HOH    50       4.847  -0.826   6.008  1.00  0.00            
+ATOM    149 H1   HOH    50       3.902  -0.629   6.020  1.00  0.00            
+ATOM    150 H2   HOH    50       5.056  -0.799   5.078  1.00  0.00            
+ATOM    151  O   HOH    51      -7.285  -3.465   7.597  1.00  0.00            
+ATOM    152 H1   HOH    51      -7.607  -3.697   6.732  1.00  0.00            
+ATOM    153 H2   HOH    51      -7.133  -2.492   7.565  1.00  0.00            
+ATOM    154  O   HOH    52      -3.090  -3.803   6.552  1.00  0.00            
+ATOM    155 H1   HOH    52      -3.502  -4.557   6.104  1.00  0.00            
+ATOM    156 H2   HOH    52      -2.848  -3.218   5.793  1.00  0.00            
+ATOM    157  O   HOH    53      -0.628  -0.643  -0.688  1.00  0.00            
+ATOM    158 H1   HOH    53      -0.750   0.199  -0.182  1.00  0.00            
+ATOM    159 H2   HOH    53       0.325  -0.889  -0.564  1.00  0.00            
+ATOM    160  O   HOH    54       1.167  -6.679   1.145  1.00  0.00            
+ATOM    161 H1   HOH    54       0.652  -7.308   0.653  1.00  0.00            
+ATOM    162 H2   HOH    54       1.613  -6.178   0.472  1.00  0.00            
+ATOM    163  O   HOH    55       0.886  -7.185   3.758  1.00  0.00            
+ATOM    164 H1   HOH    55       1.236  -8.069   3.709  1.00  0.00            
+ATOM    165 H2   HOH    55       0.920  -6.831   2.841  1.00  0.00            
+ATOM    166  O   HOH    56       2.135   0.084   6.041  1.00  0.00            
+ATOM    167 H1   HOH    56       1.885   0.433   5.160  1.00  0.00            
+ATOM    168 H2   HOH    56       1.679  -0.767   6.079  1.00  0.00            
+ATOM    169  O   HOH    57       0.184   0.302   8.421  1.00  0.00            
+ATOM    170 H1   HOH    57      -0.716   0.418   8.707  1.00  0.00            
+ATOM    171 H2   HOH    57       0.445  -0.630   8.637  1.00  0.00            
+ATOM    172  O   HOH    58      -3.149  -1.997  -5.795  1.00  0.00            
+ATOM    173 H1   HOH    58      -3.232  -1.461  -5.013  1.00  0.00            
+ATOM    174 H2   HOH    58      -3.477  -1.481  -6.557  1.00  0.00            
+ATOM    175  O   HOH    59       2.201  -0.482  -6.617  1.00  0.00            
+ATOM    176 H1   HOH    59       1.368  -0.946  -6.453  1.00  0.00            
+ATOM    177 H2   HOH    59       2.705  -1.216  -6.954  1.00  0.00            
+ATOM    178  O   HOH    60      -1.572  -2.002   4.844  1.00  0.00            
+ATOM    179 H1   HOH    60      -0.747  -2.095   5.356  1.00  0.00            
+ATOM    180 H2   HOH    60      -1.852  -1.078   5.002  1.00  0.00            
+ATOM    181  O   HOH    61       5.400   6.380  -8.004  1.00  0.00            
+ATOM    182 H1   HOH    61       5.037   7.155  -7.526  1.00  0.00            
+ATOM    183 H2   HOH    61       5.148   5.594  -7.490  1.00  0.00            
+ATOM    184  O   HOH    62      -6.338   5.728  -1.743  1.00  0.00            
+ATOM    185 H1   HOH    62      -6.067   4.771  -1.768  1.00  0.00            
+ATOM    186 H2   HOH    62      -5.664   6.129  -2.295  1.00  0.00            
+ATOM    187  O   HOH    63      -2.100  -2.775   0.706  1.00  0.00            
+ATOM    188 H1   HOH    63      -1.406  -3.020   1.364  1.00  0.00            
+ATOM    189 H2   HOH    63      -1.688  -2.182   0.070  1.00  0.00            
+ATOM    190  O   HOH    64      -0.008   5.633   1.418  1.00  0.00            
+ATOM    191 H1   HOH    64      -0.737   5.003   1.551  1.00  0.00            
+ATOM    192 H2   HOH    64      -0.256   6.473   1.771  1.00  0.00            
+ATOM    193  O   HOH    65       3.960  -1.908  -1.971  1.00  0.00            
+ATOM    194 H1   HOH    65       4.389  -1.569  -1.158  1.00  0.00            
+ATOM    195 H2   HOH    65       3.764  -1.183  -2.532  1.00  0.00            
+ATOM    196  O   HOH    66       0.396  -2.409   8.942  1.00  0.00            
+ATOM    197 H1   HOH    66      -0.496  -2.716   8.996  1.00  0.00            
+ATOM    198 H2   HOH    66       0.843  -2.715   9.772  1.00  0.00            
+ATOM    199  O   HOH    67      -5.904  -3.598  -7.198  1.00  0.00            
+ATOM    200 H1   HOH    67      -5.391  -4.021  -7.836  1.00  0.00            
+ATOM    201 H2   HOH    67      -6.856  -3.905  -7.407  1.00  0.00            
+ATOM    202  O   HOH    68       4.776   3.286  -0.543  1.00  0.00            
+ATOM    203 H1   HOH    68       4.503   3.668  -1.420  1.00  0.00            
+ATOM    204 H2   HOH    68       4.308   3.804   0.151  1.00  0.00            
+ATOM    205  O   HOH    69       1.810   1.667  -8.491  1.00  0.00            
+ATOM    206 H1   HOH    69       1.048   1.572  -9.074  1.00  0.00            
+ATOM    207 H2   HOH    69       1.737   0.971  -7.784  1.00  0.00            
+ATOM    208  O   HOH    70      -6.984   8.521   4.996  1.00  0.00            
+ATOM    209 H1   HOH    70      -6.319   9.034   4.547  1.00  0.00            
+ATOM    210 H2   HOH    70      -6.786   7.567   5.127  1.00  0.00            
+ATOM    211  O   HOH    71       8.036  -7.667   5.624  1.00  0.00            
+ATOM    212 H1   HOH    71       8.944  -7.942   5.438  1.00  0.00            
+ATOM    213 H2   HOH    71       8.006  -7.115   6.374  1.00  0.00            
+ATOM    214  O   HOH    72      -2.369   4.402   2.749  1.00  0.00            
+ATOM    215 H1   HOH    72      -2.101   4.193   3.659  1.00  0.00            
+ATOM    216 H2   HOH    72      -3.291   4.630   2.773  1.00  0.00            
+ATOM    217  O   HOH    73       7.332   0.910   8.635  1.00  0.00            
+ATOM    218 H1   HOH    73       6.493   0.534   8.784  1.00  0.00            
+ATOM    219 H2   HOH    73       7.141   1.869   8.632  1.00  0.00            
+ATOM    220  O   HOH    74       0.369   1.474   4.008  1.00  0.00            
+ATOM    221 H1   HOH    74      -0.105   1.445   4.853  1.00  0.00            
+ATOM    222 H2   HOH    74      -0.369   1.533   3.336  1.00  0.00            
+ATOM    223  O   HOH    75       5.767  -9.208   5.731  1.00  0.00            
+ATOM    224 H1   HOH    75       5.445  -9.395   6.580  1.00  0.00            
+ATOM    225 H2   HOH    75       6.702  -8.805   5.685  1.00  0.00            
+ATOM    226  O   HOH    76       4.162  -2.372   0.781  1.00  0.00            
+ATOM    227 H1   HOH    76       4.495  -2.247   1.647  1.00  0.00            
+ATOM    228 H2   HOH    76       3.609  -3.133   0.711  1.00  0.00            
+ATOM    229  O   HOH    77      -1.983  -6.868  -7.665  1.00  0.00            
+ATOM    230 H1   HOH    77      -1.149  -6.836  -8.203  1.00  0.00            
+ATOM    231 H2   HOH    77      -2.094  -5.962  -7.318  1.00  0.00            
+ATOM    232  O   HOH    78      -4.374  -7.889   1.779  1.00  0.00            
+ATOM    233 H1   HOH    78      -3.642  -7.300   1.538  1.00  0.00            
+ATOM    234 H2   HOH    78      -5.071  -7.407   1.392  1.00  0.00            
+ATOM    235  O   HOH    79       5.161   6.852   4.554  1.00  0.00            
+ATOM    236 H1   HOH    79       5.392   7.675   4.897  1.00  0.00            
+ATOM    237 H2   HOH    79       5.444   6.815   3.631  1.00  0.00            
+ATOM    238  O   HOH    80      -9.138   9.041  -8.058  1.00  0.00            
+ATOM    239 H1   HOH    80      -8.630   9.855  -7.946  1.00  0.00            
+ATOM    240 H2   HOH    80      -9.127   8.772  -9.011  1.00  0.00            
+ATOM    241  O   HOH    81      -5.687  -0.393   5.354  1.00  0.00            
+ATOM    242 H1   HOH    81      -6.067   0.366   4.992  1.00  0.00            
+ATOM    243 H2   HOH    81      -5.831  -0.447   6.338  1.00  0.00            
+ATOM    244  O   HOH    82       1.031   2.281   0.575  1.00  0.00            
+ATOM    245 H1   HOH    82       0.182   2.216   1.029  1.00  0.00            
+ATOM    246 H2   HOH    82       1.469   3.073   0.944  1.00  0.00            
+ATOM    247  O   HOH    83      -5.344  -9.069  -7.701  1.00  0.00            
+ATOM    248 H1   HOH    83      -6.076  -8.559  -8.046  1.00  0.00            
+ATOM    249 H2   HOH    83      -5.531  -9.974  -8.022  1.00  0.00            
+ATOM    250  O   HOH    84       1.744  -4.694  -7.741  1.00  0.00            
+ATOM    251 H1   HOH    84       1.332  -4.686  -6.836  1.00  0.00            
+ATOM    252 H2   HOH    84       2.349  -3.997  -7.787  1.00  0.00            
+ATOM    253  O   HOH    85       5.038   8.639  -6.175  1.00  0.00            
+ATOM    254 H1   HOH    85       5.785   9.177  -6.374  1.00  0.00            
+ATOM    255 H2   HOH    85       5.210   8.228  -5.345  1.00  0.00            
+ATOM    256  O   HOH    86      -0.023   8.844  -3.570  1.00  0.00            
+ATOM    257 H1   HOH    86      -0.459   9.203  -4.426  1.00  0.00            
+ATOM    258 H2   HOH    86       0.776   8.381  -3.782  1.00  0.00            
+ATOM    259  O   HOH    87      -1.668  -9.035  -5.632  1.00  0.00            
+ATOM    260 H1   HOH    87      -1.508  -8.745  -6.515  1.00  0.00            
+ATOM    261 H2   HOH    87      -2.505  -8.575  -5.447  1.00  0.00            
+ATOM    262  O   HOH    88      -1.025  -4.139   2.924  1.00  0.00            
+ATOM    263 H1   HOH    88      -1.638  -3.581   3.380  1.00  0.00            
+ATOM    264 H2   HOH    88      -0.344  -4.419   3.603  1.00  0.00            
+ATOM    265  O   HOH    89       6.772  -9.275  -0.062  1.00  0.00            
+ATOM    266 H1   HOH    89       6.321  -8.407   0.016  1.00  0.00            
+ATOM    267 H2   HOH    89       7.220  -9.351   0.768  1.00  0.00            
+ATOM    268  O   HOH    90      -5.260   5.074   2.814  1.00  0.00            
+ATOM    269 H1   HOH    90      -5.317   5.651   2.001  1.00  0.00            
+ATOM    270 H2   HOH    90      -5.953   4.419   2.667  1.00  0.00            
+ATOM    271  O   HOH    91       0.439  -7.109  -3.006  1.00  0.00            
+ATOM    272 H1   HOH    91       0.122  -6.760  -2.168  1.00  0.00            
+ATOM    273 H2   HOH    91       0.300  -8.047  -3.005  1.00  0.00            
+ATOM    274  O   HOH    92       4.754   0.068  -8.893  1.00  0.00            
+ATOM    275 H1   HOH    92       4.497  -0.819  -8.504  1.00  0.00            
+ATOM    276 H2   HOH    92       3.924   0.546  -9.098  1.00  0.00            
+ATOM    277  O   HOH    93       8.453  -3.238   4.470  1.00  0.00            
+ATOM    278 H1   HOH    93       8.534  -2.386   4.151  1.00  0.00            
+ATOM    279 H2   HOH    93       9.380  -3.622   4.525  1.00  0.00            
+ATOM    280  O   HOH    94      -8.562  -3.354  -5.396  1.00  0.00            
+ATOM    281 H1   HOH    94      -8.983  -3.218  -6.264  1.00  0.00            
+ATOM    282 H2   HOH    94      -7.657  -3.008  -5.367  1.00  0.00            
+ATOM    283  O   HOH    95      -4.087  -7.007   9.259  1.00  0.00            
+ATOM    284 H1   HOH    95      -4.504  -7.764   9.701  1.00  0.00            
+ATOM    285 H2   HOH    95      -3.209  -6.941   9.653  1.00  0.00            
+ATOM    286  O   HOH    96      -2.961   2.902  -4.614  1.00  0.00            
+ATOM    287 H1   HOH    96      -3.009   1.975  -4.316  1.00  0.00            
+ATOM    288 H2   HOH    96      -2.450   3.376  -3.907  1.00  0.00            
+ATOM    289  O   HOH    97      -8.496  -3.305   0.422  1.00  0.00            
+ATOM    290 H1   HOH    97      -8.208  -3.909   1.155  1.00  0.00            
+ATOM    291 H2   HOH    97      -9.382  -3.162   0.529  1.00  0.00            
+ATOM    292  O   HOH    98      -8.646   7.535   1.955  1.00  0.00            
+ATOM    293 H1   HOH    98      -9.207   6.758   1.900  1.00  0.00            
+ATOM    294 H2   HOH    98      -8.931   7.852   2.808  1.00  0.00            
+ATOM    295  O   HOH    99       5.325   0.684  -1.143  1.00  0.00            
+ATOM    296 H1   HOH    99       6.163   0.574  -0.698  1.00  0.00            
+ATOM    297 H2   HOH    99       4.928   1.523  -0.792  1.00  0.00            
+ATOM    298  O   HOH   100      -0.302   3.603  -9.202  1.00  0.00            
+ATOM    299 H1   HOH   100       0.254   4.336  -9.458  1.00  0.00            
+ATOM    300 H2   HOH   100      -0.128   3.520  -8.233  1.00  0.00            
+ATOM    301  O   HOH   101      -7.609  -7.414  -7.642  1.00  0.00            
+ATOM    302 H1   HOH   101      -7.583  -6.832  -8.402  1.00  0.00            
+ATOM    303 H2   HOH   101      -7.817  -6.856  -6.873  1.00  0.00            
+ATOM    304  O   HOH   102      -7.162  -0.866  -7.830  1.00  0.00            
+ATOM    305 H1   HOH   102      -6.916  -1.664  -7.366  1.00  0.00            
+ATOM    306 H2   HOH   102      -8.117  -0.865  -7.738  1.00  0.00            
+ATOM    307  O   HOH   103       8.628  -2.873  -7.501  1.00  0.00            
+ATOM    308 H1   HOH   103       8.430  -2.014  -7.969  1.00  0.00            
+ATOM    309 H2   HOH   103       7.755  -3.342  -7.575  1.00  0.00            
+ATOM    310  O   HOH   104       0.296  -6.725  -9.137  1.00  0.00            
+ATOM    311 H1   HOH   104       0.011  -6.271  -9.953  1.00  0.00            
+ATOM    312 H2   HOH   104       0.802  -5.981  -8.711  1.00  0.00            
+ATOM    313  O   HOH   105      -2.283   4.666   7.799  1.00  0.00            
+ATOM    314 H1   HOH   105      -2.473   5.640   7.876  1.00  0.00            
+ATOM    315 H2   HOH   105      -1.790   4.332   8.562  1.00  0.00            
+ATOM    316  O   HOH   106      -5.132  -2.648   0.721  1.00  0.00            
+ATOM    317 H1   HOH   106      -4.418  -2.848   1.417  1.00  0.00            
+ATOM    318 H2   HOH   106      -5.583  -3.451   0.568  1.00  0.00            
+ATOM    319  O   HOH   107       3.597  -7.110  -8.571  1.00  0.00            
+ATOM    320 H1   HOH   107       3.557  -6.612  -7.707  1.00  0.00            
+ATOM    321 H2   HOH   107       2.931  -6.774  -9.116  1.00  0.00            
+ATOM    322  O   HOH   108      -8.608  -8.319   3.526  1.00  0.00            
+ATOM    323 H1   HOH   108      -7.992  -8.997   3.888  1.00  0.00            
+ATOM    324 H2   HOH   108      -8.438  -8.243   2.566  1.00  0.00            
+ATOM    325  O   HOH   109      -6.941   8.524  -4.898  1.00  0.00            
+ATOM    326 H1   HOH   109      -6.037   8.201  -4.795  1.00  0.00            
+ATOM    327 H2   HOH   109      -6.826   9.016  -5.706  1.00  0.00            
+ATOM    328  O   HOH   110      -8.618   2.117   0.328  1.00  0.00            
+ATOM    329 H1   HOH   110      -9.507   2.587   0.268  1.00  0.00            
+ATOM    330 H2   HOH   110      -8.802   1.370   0.915  1.00  0.00            
+ATOM    331  O   HOH   111      -6.703  -7.096   5.720  1.00  0.00            
+ATOM    332 H1   HOH   111      -6.345  -7.797   5.144  1.00  0.00            
+ATOM    333 H2   HOH   111      -7.115  -7.623   6.408  1.00  0.00            
+ATOM    334  O   HOH   112      -4.243   1.635  -7.536  1.00  0.00            
+ATOM    335 H1   HOH   112      -3.372   1.373  -7.866  1.00  0.00            
+ATOM    336 H2   HOH   112      -4.520   2.387  -8.161  1.00  0.00            
+ATOM    337  O   HOH   113      -4.209  -8.163  -5.306  1.00  0.00            
+ATOM    338 H1   HOH   113      -4.273  -7.181  -5.411  1.00  0.00            
+ATOM    339 H2   HOH   113      -4.501  -8.381  -6.200  1.00  0.00            
+ATOM    340  O   HOH   114       6.037   3.308  -8.447  1.00  0.00            
+ATOM    341 H1   HOH   114       5.046   3.370  -8.401  1.00  0.00            
+ATOM    342 H2   HOH   114       6.249   2.483  -8.061  1.00  0.00            
+ATOM    343  O   HOH   115       1.855  -0.633   0.513  1.00  0.00            
+ATOM    344 H1   HOH   115       2.810  -0.778   0.512  1.00  0.00            
+ATOM    345 H2   HOH   115       1.713   0.210   0.906  1.00  0.00            
+ATOM    346  O   HOH   116      -0.350  -0.799  -3.447  1.00  0.00            
+ATOM    347 H1   HOH   116      -0.639  -0.602  -2.521  1.00  0.00            
+ATOM    348 H2   HOH   116      -0.468  -1.735  -3.577  1.00  0.00            
+ATOM    349  O   HOH   117       2.557   6.236   4.285  1.00  0.00            
+ATOM    350 H1   HOH   117       1.909   6.451   4.910  1.00  0.00            
+ATOM    351 H2   HOH   117       3.454   6.494   4.590  1.00  0.00            
+ATOM    352  O   HOH   118      -7.374  -8.763  -2.641  1.00  0.00            
+ATOM    353 H1   HOH   118      -7.322  -9.154  -3.510  1.00  0.00            
+ATOM    354 H2   HOH   118      -7.997  -9.286  -2.168  1.00  0.00            
+ATOM    355  O   HOH   119       5.102  -2.717   7.917  1.00  0.00            
+ATOM    356 H1   HOH   119       5.105  -2.075   7.214  1.00  0.00            
+ATOM    357 H2   HOH   119       5.997  -3.082   7.930  1.00  0.00            
+ATOM    358  O   HOH   120       0.617  -6.049  -5.430  1.00  0.00            
+ATOM    359 H1   HOH   120       0.065  -6.639  -5.953  1.00  0.00            
+ATOM    360 H2   HOH   120       0.625  -6.347  -4.518  1.00  0.00            
+ATOM    361  O   HOH   121      -5.018   6.814  -8.879  1.00  0.00            
+ATOM    362 H1   HOH   121      -4.047   6.554  -8.848  1.00  0.00            
+ATOM    363 H2   HOH   121      -5.495   6.325  -8.167  1.00  0.00            
+ATOM    364  O   HOH   122      -3.571   8.179   1.037  1.00  0.00            
+ATOM    365 H1   HOH   122      -4.358   7.666   0.884  1.00  0.00            
+ATOM    366 H2   HOH   122      -3.813   9.131   1.289  1.00  0.00            
+ATOM    367  O   HOH   123      -1.089   6.429  -1.100  1.00  0.00            
+ATOM    368 H1   HOH   123      -0.958   6.512  -0.129  1.00  0.00            
+ATOM    369 H2   HOH   123      -1.425   7.353  -1.265  1.00  0.00            
+ATOM    370  O   HOH   124      -8.068   3.899  -9.306  1.00  0.00            
+ATOM    371 H1   HOH   124      -8.429   4.769  -9.587  1.00  0.00            
+ATOM    372 H2   HOH   124      -7.407   4.106  -8.627  1.00  0.00            
+ATOM    373  O   HOH   125      -7.322  -0.835   1.865  1.00  0.00            
+ATOM    374 H1   HOH   125      -6.633  -0.258   1.516  1.00  0.00            
+ATOM    375 H2   HOH   125      -7.594  -1.468   1.181  1.00  0.00            
+ATOM    376  O   HOH   126       6.137  -3.751  -2.944  1.00  0.00            
+ATOM    377 H1   HOH   126       5.314  -3.197  -2.837  1.00  0.00            
+ATOM    378 H2   HOH   126       6.747  -3.054  -3.268  1.00  0.00            
+ATOM    379  O   HOH   127       2.833   7.012   0.636  1.00  0.00            
+ATOM    380 H1   HOH   127       2.330   7.844   0.881  1.00  0.00            
+ATOM    381 H2   HOH   127       2.160   6.335   0.437  1.00  0.00            
+ATOM    382  O   HOH   128       3.405  -5.843  -5.838  1.00  0.00            
+ATOM    383 H1   HOH   128       4.240  -5.687  -5.479  1.00  0.00            
+ATOM    384 H2   HOH   128       2.799  -5.627  -5.149  1.00  0.00            
+ATOM    385  O   HOH   129       4.865   3.938  -5.085  1.00  0.00            
+ATOM    386 H1   HOH   129       4.895   2.983  -5.154  1.00  0.00            
+ATOM    387 H2   HOH   129       5.751   4.278  -4.809  1.00  0.00            
+ATOM    388  O   HOH   130      -4.993  -8.656   4.141  1.00  0.00            
+ATOM    389 H1   HOH   130      -4.097  -9.036   4.154  1.00  0.00            
+ATOM    390 H2   HOH   130      -5.019  -8.186   3.285  1.00  0.00            
+ATOM    391  O   HOH   131      -9.292  -0.951   7.718  1.00  0.00            
+ATOM    392 H1   HOH   131     -10.069  -0.492   8.136  1.00  0.00            
+ATOM    393 H2   HOH   131      -8.538  -0.352   7.799  1.00  0.00            
+ATOM    394  O   HOH   132       5.820  -2.735   3.218  1.00  0.00            
+ATOM    395 H1   HOH   132       5.911  -2.123   3.919  1.00  0.00            
+ATOM    396 H2   HOH   132       6.270  -3.544   3.552  1.00  0.00            
+ATOM    397  O   HOH   133      -4.387   7.103  -3.444  1.00  0.00            
+ATOM    398 H1   HOH   133      -3.580   6.680  -3.829  1.00  0.00            
+ATOM    399 H2   HOH   133      -3.958   7.858  -3.002  1.00  0.00            
+ATOM    400  O   HOH   134       3.032   2.055   3.352  1.00  0.00            
+ATOM    401 H1   HOH   134       2.047   2.003   3.380  1.00  0.00            
+ATOM    402 H2   HOH   134       3.178   2.614   4.097  1.00  0.00            
+ATOM    403  O   HOH   135       7.314   1.186   2.187  1.00  0.00            
+ATOM    404 H1   HOH   135       6.925   2.076   2.385  1.00  0.00            
+ATOM    405 H2   HOH   135       7.425   1.106   1.167  1.00  0.00            
+ATOM    406  O   HOH   136       3.077  -6.778  -0.693  1.00  0.00            
+ATOM    407 H1   HOH   136       3.016  -7.565  -1.263  1.00  0.00            
+ATOM    408 H2   HOH   136       3.761  -6.920  -0.021  1.00  0.00            
+ATOM    409  O   HOH   137       0.482   1.499  -4.856  1.00  0.00            
+ATOM    410 H1   HOH   137       0.708   1.788  -4.008  1.00  0.00            
+ATOM    411 H2   HOH   137      -0.146   0.779  -4.804  1.00  0.00            
+ATOM    412  O   HOH   138       2.657  -0.480  -3.924  1.00  0.00            
+ATOM    413 H1   HOH   138       2.571  -0.270  -4.891  1.00  0.00            
+ATOM    414 H2   HOH   138       1.808  -0.171  -3.595  1.00  0.00            
+ATOM    415  O   HOH   139       7.359   3.219   0.063  1.00  0.00            
+ATOM    416 H1   HOH   139       7.531   3.124  -0.908  1.00  0.00            
+ATOM    417 H2   HOH   139       6.413   3.324   0.053  1.00  0.00            
+ATOM    418  O   HOH   140      -0.072  -2.194  -6.704  1.00  0.00            
+ATOM    419 H1   HOH   140      -0.799  -2.260  -7.333  1.00  0.00            
+ATOM    420 H2   HOH   140      -0.033  -2.956  -6.170  1.00  0.00            
+ATOM    421  O   HOH   141       8.018   3.334  -2.584  1.00  0.00            
+ATOM    422 H1   HOH   141       8.927   3.176  -2.999  1.00  0.00            
+ATOM    423 H2   HOH   141       7.714   4.088  -3.149  1.00  0.00            
+ATOM    424  O   HOH   142      -3.175   0.372   5.085  1.00  0.00            
+ATOM    425 H1   HOH   142      -3.328   1.279   5.414  1.00  0.00            
+ATOM    426 H2   HOH   142      -4.044  -0.022   5.216  1.00  0.00            
+ATOM    427  O   HOH   143       7.709  -1.775  -4.109  1.00  0.00            
+ATOM    428 H1   HOH   143       8.092  -0.993  -3.608  1.00  0.00            
+ATOM    429 H2   HOH   143       8.479  -2.226  -4.429  1.00  0.00            
+ATOM    430  O   HOH   144      -5.099   6.527   5.166  1.00  0.00            
+ATOM    431 H1   HOH   144      -4.189   6.950   5.093  1.00  0.00            
+ATOM    432 H2   HOH   144      -5.207   6.061   4.289  1.00  0.00            
+ATOM    433  O   HOH   145       8.893  -0.159  -7.906  1.00  0.00            
+ATOM    434 H1   HOH   145       8.405   0.225  -7.122  1.00  0.00            
+ATOM    435 H2   HOH   145       8.639   0.460  -8.570  1.00  0.00            
+ATOM    436  O   HOH   146      -4.263  -5.454  -5.270  1.00  0.00            
+ATOM    437 H1   HOH   146      -3.405  -5.209  -5.564  1.00  0.00            
+ATOM    438 H2   HOH   146      -4.911  -5.251  -5.952  1.00  0.00            
+ATOM    439  O   HOH   147       8.883   7.851   4.742  1.00  0.00            
+ATOM    440 H1   HOH   147       9.674   8.080   5.221  1.00  0.00            
+ATOM    441 H2   HOH   147       8.345   7.269   5.297  1.00  0.00            
+ATOM    442  O   HOH   148      -0.309  -5.404  -0.774  1.00  0.00            
+ATOM    443 H1   HOH   148       0.249  -4.705  -0.532  1.00  0.00            
+ATOM    444 H2   HOH   148      -1.094  -5.121  -1.264  1.00  0.00            
+ATOM    445  O   HOH   149       5.072  -8.090   3.321  1.00  0.00            
+ATOM    446 H1   HOH   149       5.125  -8.433   4.296  1.00  0.00            
+ATOM    447 H2   HOH   149       4.846  -7.155   3.366  1.00  0.00            
+ATOM    448  O   HOH   150       0.710  -8.627  -7.212  1.00  0.00            
+ATOM    449 H1   HOH   150       0.882  -8.127  -7.970  1.00  0.00            
+ATOM    450 H2   HOH   150       1.486  -8.744  -6.660  1.00  0.00            
+ATOM    451  O   HOH   151      -2.726   8.212   4.098  1.00  0.00            
+ATOM    452 H1   HOH   151      -1.889   7.861   4.444  1.00  0.00            
+ATOM    453 H2   HOH   151      -2.726   8.156   3.075  1.00  0.00            
+ATOM    454  O   HOH   152      -2.367   7.081   9.006  1.00  0.00            
+ATOM    455 H1   HOH   152      -1.709   7.028   9.733  1.00  0.00            
+ATOM    456 H2   HOH   152      -2.233   8.060   8.705  1.00  0.00            
+ATOM    457  O   HOH   153       6.090  -5.347  -5.159  1.00  0.00            
+ATOM    458 H1   HOH   153       6.663  -6.118  -4.931  1.00  0.00            
+ATOM    459 H2   HOH   153       6.130  -4.741  -4.369  1.00  0.00            
+ATOM    460  O   HOH   154      -6.943   5.559  -7.275  1.00  0.00            
+ATOM    461 H1   HOH   154      -6.852   5.143  -6.441  1.00  0.00            
+ATOM    462 H2   HOH   154      -7.722   6.088  -7.135  1.00  0.00            
+ATOM    463  O   HOH   155      -6.554   5.680   7.665  1.00  0.00            
+ATOM    464 H1   HOH   155      -5.985   5.815   6.863  1.00  0.00            
+ATOM    465 H2   HOH   155      -6.073   6.260   8.297  1.00  0.00            
+ATOM    466  O   HOH   156      -1.773  -7.513   4.829  1.00  0.00            
+ATOM    467 H1   HOH   156      -1.111  -7.160   4.268  1.00  0.00            
+ATOM    468 H2   HOH   156      -1.281  -8.206   5.239  1.00  0.00            
+ATOM    469  O   HOH   157       5.088  -1.778  -5.553  1.00  0.00            
+ATOM    470 H1   HOH   157       4.758  -1.676  -4.673  1.00  0.00            
+ATOM    471 H2   HOH   157       6.001  -1.657  -5.464  1.00  0.00            
+ATOM    472  O   HOH   158       7.974  -0.053  -0.228  1.00  0.00            
+ATOM    473 H1   HOH   158       7.544  -0.925  -0.027  1.00  0.00            
+ATOM    474 H2   HOH   158       8.404  -0.258  -1.091  1.00  0.00            
+ATOM    475  O   HOH   159       2.481  -4.518  -2.565  1.00  0.00            
+ATOM    476 H1   HOH   159       2.654  -5.131  -1.870  1.00  0.00            
+ATOM    477 H2   HOH   159       2.866  -3.653  -2.218  1.00  0.00            
+ATOM    478  O   HOH   160       8.941   6.414  -2.284  1.00  0.00            
+ATOM    479 H1   HOH   160       8.639   5.765  -2.912  1.00  0.00            
+ATOM    480 H2   HOH   160       9.870   6.369  -2.209  1.00  0.00            
+ATOM    481  O   HOH   161      -5.030   3.860  -9.133  1.00  0.00            
+ATOM    482 H1   HOH   161      -4.276   4.457  -8.996  1.00  0.00            
+ATOM    483 H2   HOH   161      -5.711   4.362  -9.608  1.00  0.00            
+ATOM    484  O   HOH   162      -5.791   3.147  -1.317  1.00  0.00            
+ATOM    485 H1   HOH   162      -6.436   2.378  -1.382  1.00  0.00            
+ATOM    486 H2   HOH   162      -5.191   2.984  -0.504  1.00  0.00            
+ATOM    487  O   HOH   163      -2.329  -4.533  -2.630  1.00  0.00            
+ATOM    488 H1   HOH   163      -3.171  -5.058  -2.576  1.00  0.00            
+ATOM    489 H2   HOH   163      -2.499  -3.672  -2.246  1.00  0.00            
+ATOM    490  O   HOH   164       7.390   6.060   8.753  1.00  0.00            
+ATOM    491 H1   HOH   164       6.851   5.658   8.039  1.00  0.00            
+ATOM    492 H2   HOH   164       6.789   6.249   9.485  1.00  0.00            
+ATOM    493  O   HOH   165      -1.734  -4.483  -6.269  1.00  0.00            
+ATOM    494 H1   HOH   165      -1.212  -4.704  -5.518  1.00  0.00            
+ATOM    495 H2   HOH   165      -2.176  -3.710  -5.905  1.00  0.00            
+ATOM    496  O   HOH   166      -0.979   4.105   5.515  1.00  0.00            
+ATOM    497 H1   HOH   166      -1.509   4.308   6.292  1.00  0.00            
+ATOM    498 H2   HOH   166      -0.221   3.585   5.863  1.00  0.00            
+ATOM    499  O   HOH   167      -2.925   4.250  -7.055  1.00  0.00            
+ATOM    500 H1   HOH   167      -2.386   3.828  -7.713  1.00  0.00            
+ATOM    501 H2   HOH   167      -2.854   3.619  -6.304  1.00  0.00            
+ATOM    502  O   HOH   168      -4.193  -1.077  -8.101  1.00  0.00            
+ATOM    503 H1   HOH   168      -4.551  -1.839  -8.506  1.00  0.00            
+ATOM    504 H2   HOH   168      -4.698  -0.329  -8.425  1.00  0.00            
+ATOM    505  O   HOH   169      -8.302  -5.937  -5.244  1.00  0.00            
+ATOM    506 H1   HOH   169      -8.357  -5.005  -5.460  1.00  0.00            
+ATOM    507 H2   HOH   169      -7.765  -5.968  -4.487  1.00  0.00            
+ATOM    508  O   HOH   170       0.475   2.499   7.103  1.00  0.00            
+ATOM    509 H1   HOH   170       0.053   2.668   8.005  1.00  0.00            
+ATOM    510 H2   HOH   170       0.928   1.639   7.275  1.00  0.00            
+ATOM    511  O   HOH   171       0.983  -2.483   6.222  1.00  0.00            
+ATOM    512 H1   HOH   171       0.714  -2.387   7.103  1.00  0.00            
+ATOM    513 H2   HOH   171       1.073  -3.395   5.953  1.00  0.00            
+ATOM    514  O   HOH   172      -1.739   6.386  -4.380  1.00  0.00            
+ATOM    515 H1   HOH   172      -1.086   7.088  -4.202  1.00  0.00            
+ATOM    516 H2   HOH   172      -1.618   5.678  -3.708  1.00  0.00            
+ATOM    517  O   HOH   173      -8.338  -7.832   7.971  1.00  0.00            
+ATOM    518 H1   HOH   173      -8.660  -8.718   7.769  1.00  0.00            
+ATOM    519 H2   HOH   173      -9.133  -7.191   7.981  1.00  0.00            
+ATOM    520  O   HOH   174       3.012   4.410   1.775  1.00  0.00            
+ATOM    521 H1   HOH   174       3.088   3.596   2.267  1.00  0.00            
+ATOM    522 H2   HOH   174       2.920   5.066   2.466  1.00  0.00            
+ATOM    523  O   HOH   175       3.835  -2.844  -8.396  1.00  0.00            
+ATOM    524 H1   HOH   175       4.123  -2.941  -9.341  1.00  0.00            
+ATOM    525 H2   HOH   175       4.550  -3.355  -7.864  1.00  0.00            
+ATOM    526  O   HOH   176       5.454   1.225  -4.087  1.00  0.00            
+ATOM    527 H1   HOH   176       6.075   1.634  -3.481  1.00  0.00            
+ATOM    528 H2   HOH   176       4.836   0.886  -3.441  1.00  0.00            
+ATOM    529  O   HOH   177       1.364  -3.319   1.034  1.00  0.00            
+ATOM    530 H1   HOH   177       1.576  -2.519   1.568  1.00  0.00            
+ATOM    531 H2   HOH   177       0.786  -3.846   1.612  1.00  0.00            
+ATOM    532  O   HOH   178       8.425   3.808  -6.918  1.00  0.00            
+ATOM    533 H1   HOH   178       9.075   3.928  -7.729  1.00  0.00            
+ATOM    534 H2   HOH   178       7.505   3.888  -7.275  1.00  0.00            
+ATOM    535  O   HOH   179       2.777  -8.590  -5.314  1.00  0.00            
+ATOM    536 H1   HOH   179       2.839  -7.702  -5.632  1.00  0.00            
+ATOM    537 H2   HOH   179       3.489  -9.124  -5.685  1.00  0.00            
+ATOM    538  O   HOH   180       2.682  -7.850   6.993  1.00  0.00            
+ATOM    539 H1   HOH   180       3.382  -8.376   7.384  1.00  0.00            
+ATOM    540 H2   HOH   180       3.009  -6.910   7.029  1.00  0.00            
+ATOM    541  O   HOH   181       0.959   5.976   8.842  1.00  0.00            
+ATOM    542 H1   HOH   181       1.908   5.889   8.681  1.00  0.00            
+ATOM    543 H2   HOH   181       0.701   6.300   9.762  1.00  0.00            
+ATOM    544  O   HOH   182      -3.269  -0.095   2.168  1.00  0.00            
+ATOM    545 H1   HOH   182      -3.261  -0.142   3.146  1.00  0.00            
+ATOM    546 H2   HOH   182      -2.758  -0.845   1.881  1.00  0.00            
+ATOM    547  O   HOH   183      -8.343  -5.520   2.186  1.00  0.00            
+ATOM    548 H1   HOH   183      -8.240  -5.469   3.127  1.00  0.00            
+ATOM    549 H2   HOH   183      -9.326  -5.545   1.936  1.00  0.00            
+ATOM    550  O   HOH   184      -3.748   2.251   7.121  1.00  0.00            
+ATOM    551 H1   HOH   184      -4.751   2.368   7.191  1.00  0.00            
+ATOM    552 H2   HOH   184      -3.334   3.091   7.210  1.00  0.00            
+ATOM    553  O   HOH   185       5.491  -6.805   0.724  1.00  0.00            
+ATOM    554 H1   HOH   185       6.053  -6.670   1.517  1.00  0.00            
+ATOM    555 H2   HOH   185       5.861  -6.118   0.175  1.00  0.00            
+ATOM    556  O   HOH   186      -2.313   9.029  -1.341  1.00  0.00            
+ATOM    557 H1   HOH   186      -2.862   9.567  -1.983  1.00  0.00            
+ATOM    558 H2   HOH   186      -2.931   8.715  -0.682  1.00  0.00            
+ATOM    559  O   HOH   187      -5.479   0.699   0.492  1.00  0.00            
+ATOM    560 H1   HOH   187      -4.847   0.137   0.967  1.00  0.00            
+ATOM    561 H2   HOH   187      -5.594   0.350  -0.404  1.00  0.00            
+ATOM    562  O   HOH   188      -4.084  -6.161   5.301  1.00  0.00            
+ATOM    563 H1   HOH   188      -3.506  -6.799   4.940  1.00  0.00            
+ATOM    564 H2   HOH   188      -4.630  -6.788   5.863  1.00  0.00            
+ATOM    565  O   HOH   189       4.659   7.875  -1.282  1.00  0.00            
+ATOM    566 H1   HOH   189       5.386   8.309  -0.774  1.00  0.00            
+ATOM    567 H2   HOH   189       4.055   7.498  -0.619  1.00  0.00            
+ATOM    568  O   HOH   190      -0.166  -3.706  -3.657  1.00  0.00            
+ATOM    569 H1   HOH   190      -0.908  -4.138  -3.272  1.00  0.00            
+ATOM    570 H2   HOH   190       0.514  -4.377  -3.440  1.00  0.00            
+ATOM    571  O   HOH   191      -5.951   0.171  -2.277  1.00  0.00            
+ATOM    572 H1   HOH   191      -5.823   0.714  -3.060  1.00  0.00            
+ATOM    573 H2   HOH   191      -6.282  -0.633  -2.620  1.00  0.00            
+ATOM    574  O   HOH   192      -4.764  -4.232   8.960  1.00  0.00            
+ATOM    575 H1   HOH   192      -5.480  -4.134   8.313  1.00  0.00            
+ATOM    576 H2   HOH   192      -4.642  -5.206   8.983  1.00  0.00            
+ATOM    577  O   HOH   193       0.145  -8.934  -0.348  1.00  0.00            
+ATOM    578 H1   HOH   193      -0.693  -9.106  -0.806  1.00  0.00            
+ATOM    579 H2   HOH   193       0.881  -9.152  -0.962  1.00  0.00            
+ATOM    580  O   HOH   194      -6.024   6.817   0.677  1.00  0.00            
+ATOM    581 H1   HOH   194      -6.335   6.594  -0.147  1.00  0.00            
+ATOM    582 H2   HOH   194      -6.795   7.026   1.255  1.00  0.00            
+ATOM    583  O   HOH   195      -7.976  -4.857  -8.808  1.00  0.00            
+ATOM    584 H1   HOH   195      -7.659  -4.428  -9.586  1.00  0.00            
+ATOM    585 H2   HOH   195      -8.826  -4.435  -8.650  1.00  0.00            
+ATOM    586  O   HOH   196       6.091   7.506  -3.794  1.00  0.00            
+ATOM    587 H1   HOH   196       6.896   8.024  -3.504  1.00  0.00            
+ATOM    588 H2   HOH   196       5.535   7.536  -2.967  1.00  0.00            
+ATOM    589  O   HOH   197       7.449   5.304  -4.471  1.00  0.00            
+ATOM    590 H1   HOH   197       7.018   6.181  -4.365  1.00  0.00            
+ATOM    591 H2   HOH   197       8.016   5.286  -5.241  1.00  0.00            
+ATOM    592  O   HOH   198      -6.900  -5.901  -2.927  1.00  0.00            
+ATOM    593 H1   HOH   198      -7.154  -6.838  -2.857  1.00  0.00            
+ATOM    594 H2   HOH   198      -5.932  -5.822  -2.739  1.00  0.00            
+ATOM    595  O   HOH   199      -2.077  -9.026   8.256  1.00  0.00            
+ATOM    596 H1   HOH   199      -1.233  -9.035   7.789  1.00  0.00            
+ATOM    597 H2   HOH   199      -2.467  -8.111   8.140  1.00  0.00            
+ATOM    598  O   HOH   200      -5.977  -2.535   3.782  1.00  0.00            
+ATOM    599 H1   HOH   200      -5.780  -1.850   4.378  1.00  0.00            
+ATOM    600 H2   HOH   200      -6.306  -1.917   3.065  1.00  0.00            
+ATOM    601  O   HOH   201       2.576  -9.098  -2.268  1.00  0.00            
+ATOM    602 H1   HOH   201       3.391  -9.612  -2.195  1.00  0.00            
+ATOM    603 H2   HOH   201       2.529  -8.810  -3.194  1.00  0.00            
+ATOM    604  O   HOH   202      -5.798   4.562  -4.805  1.00  0.00            
+ATOM    605 H1   HOH   202      -5.028   4.024  -4.763  1.00  0.00            
+ATOM    606 H2   HOH   202      -5.523   5.503  -4.645  1.00  0.00            
+ATOM    607  O   HOH   203       2.642   3.615   5.573  1.00  0.00            
+ATOM    608 H1   HOH   203       1.851   3.465   6.145  1.00  0.00            
+ATOM    609 H2   HOH   203       2.533   4.499   5.175  1.00  0.00            
+ATOM    610  O   HOH   204       8.011  -7.394  -4.619  1.00  0.00            
+ATOM    611 H1   HOH   204       8.169  -7.901  -3.820  1.00  0.00            
+ATOM    612 H2   HOH   204       8.830  -6.924  -4.810  1.00  0.00            
+ATOM    613  O   HOH   205      -5.863   0.151  -5.281  1.00  0.00            
+ATOM    614 H1   HOH   205      -5.088   0.587  -5.588  1.00  0.00            
+ATOM    615 H2   HOH   205      -6.450   0.191  -6.017  1.00  0.00            
+ATOM    616  O   HOH   206       7.645  -5.999   2.880  1.00  0.00            
+ATOM    617 H1   HOH   206       7.086  -5.401   3.352  1.00  0.00            
+ATOM    618 H2   HOH   206       7.945  -6.726   3.484  1.00  0.00            
+ATOM    619  O   HOH   207      -4.127   6.816  -6.252  1.00  0.00            
+ATOM    620 H1   HOH   207      -3.484   6.105  -6.419  1.00  0.00            
+ATOM    621 H2   HOH   207      -3.581   7.596  -6.033  1.00  0.00            
+ATOM    622  O   HOH   208      -2.387   0.594   9.139  1.00  0.00            
+ATOM    623 H1   HOH   208      -2.910  -0.143   9.526  1.00  0.00            
+ATOM    624 H2   HOH   208      -2.860   1.041   8.365  1.00  0.00            
+ATOM    625  O   HOH   209       6.291  -6.637  -8.831  1.00  0.00            
+ATOM    626 H1   HOH   209       5.331  -6.682  -8.839  1.00  0.00            
+ATOM    627 H2   HOH   209       6.669  -7.204  -8.167  1.00  0.00            
+ATOM    628  O   HOH   210       2.510  -8.884   2.290  1.00  0.00            
+ATOM    629 H1   HOH   210       2.430  -8.169   1.697  1.00  0.00            
+ATOM    630 H2   HOH   210       3.446  -8.960   2.484  1.00  0.00            
+ATOM    631  O   HOH   211      -9.142   8.039   7.883  1.00  0.00            
+ATOM    632 H1   HOH   211      -8.383   7.421   7.829  1.00  0.00            
+ATOM    633 H2   HOH   211      -9.916   7.561   8.297  1.00  0.00            
+ATOM    634  O   HOH   212       7.971  -3.288   7.179  1.00  0.00            
+ATOM    635 H1   HOH   212       8.561  -2.572   7.494  1.00  0.00            
+ATOM    636 H2   HOH   212       7.985  -3.225   6.216  1.00  0.00            
+ATOM    637  O   HOH   213       7.974  -6.006   7.682  1.00  0.00            
+ATOM    638 H1   HOH   213       8.211  -5.090   7.590  1.00  0.00            
+ATOM    639 H2   HOH   213       7.297  -6.051   8.386  1.00  0.00            
+ATOM    640  O   HOH   214      -1.174  -5.931   7.038  1.00  0.00            
+ATOM    641 H1   HOH   214      -1.529  -6.552   6.343  1.00  0.00            
+ATOM    642 H2   HOH   214      -1.604  -5.078   6.850  1.00  0.00            
+ATOM    643  O   HOH   215       5.857   3.613   3.066  1.00  0.00            
+ATOM    644 H1   HOH   215       5.145   4.238   2.616  1.00  0.00            
+ATOM    645 H2   HOH   215       5.360   3.257   3.827  1.00  0.00            
+ATOM    646  O   HOH   216      -7.511   3.594   2.437  1.00  0.00            
+ATOM    647 H1   HOH   216      -8.194   4.191   2.727  1.00  0.00            
+ATOM    648 H2   HOH   216      -7.832   3.254   1.617  1.00  0.00            
+TER
+ENDMDL
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.mol2 b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.mol2
new file mode 100644
index 000000000..66d26d292
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.mol2
@@ -0,0 +1,13 @@
+@<TRIPOS>MOLECULE
+*****
+    3     2     0     0     0
+SMALL
+NO_CHARGES
+
+@<TRIPOS>ATOM
+      1 O1          0.0000    0.0000    0.0000 O.3       1 UNL1           nan
+      2 H1          0.0000    0.0000    0.0000 H         1 UNL1           nan
+      3 H2          0.0000    0.0000    0.0000 H         1 UNL1           nan
+@<TRIPOS>BOND
+     1    1    2 1
+     2    1    3 1
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.sdf b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.sdf
new file mode 100644
index 000000000..e0dcdb4c7
--- /dev/null
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.sdf
@@ -0,0 +1,11 @@
+
+     RDKit          3D
+
+  3  2  0  0  0  0  0  0  0  0999 V2000
+   -0.0008    0.3664   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.8123   -0.1835   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
+    0.8131   -0.1829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0
+  1  3  1  0
+M  END
+$$$$

From 751443dff76ec8c9e255c9f219476026f70063d2 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Fri, 6 Mar 2026 10:30:49 +1100
Subject: [PATCH 62/76] use interchange env with fixed vsites

---
 devtools/conda-envs/test_env.yaml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index 4ccb76f11..f857ed883 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -24,6 +24,7 @@ dependencies:
   - geometric
   # - gromacs =2019.1
   - openff-toolkit >=0.11.3
+  - openff-interchange >=0.5.1
   # - openff-evaluator-base >= 0.4.5
   # - openff-recharge
   # - openeye-toolkits (Don't have a license file to use with GH Actions.)

From 3ddee47f1803b9c453146eecdf99c0c2c33cf937 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Fri, 6 Mar 2026 10:32:51 +1100
Subject: [PATCH 63/76] test with nagl

---
 devtools/conda-envs/test_env.yaml                               | 2 +-
 .../forcefield/force-field.offxml                               | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index f857ed883..26d01d081 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -23,7 +23,7 @@ dependencies:
   - ndcctools
   - geometric
   # - gromacs =2019.1
-  - openff-toolkit >=0.11.3
+  - openff-toolkit >=0.18.0
   - openff-interchange >=0.5.1
   # - openff-evaluator-base >= 0.4.5
   # - openff-recharge
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml b/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml
index f46470bcc..15c559384 100644
--- a/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml
+++ b/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml
@@ -391,9 +391,9 @@
         <LibraryCharge smirks="[#1]-[#8X2H2+0:1]-[#1]" charge1="0 * elementary_charge ** 1" id="q-tip4p-fb-O"></LibraryCharge>
         <LibraryCharge smirks="[#1:1]-[#8X2H2+0]-[#1]" charge1="0 * elementary_charge ** 1" id="q-tip4p-fb-H"></LibraryCharge>
     </LibraryCharges>
-    <ToolkitAM1BCC version="0.3"></ToolkitAM1BCC>
     <VirtualSites version="0.3" exclusion_policy="parents">
         <VirtualSite smirks="[#1:2]-[#8X2H2+0:1]-[#1:3]" epsilon="0.0 * kilocalorie_per_mole ** 1" type="DivalentLonePair" match="once" distance="-0.010527445756662016 * nanometer ** 1" outOfPlaneAngle="0.0 * degree ** 1" inPlaneAngle="None" charge_increment1="0.0 * elementary_charge ** 1" charge_increment2="0.5758681106763001 * elementary_charge ** 1" charge_increment3="0.5758681106763001 * elementary_charge ** 1" sigma="1.0 * angstrom ** 1" name="EP" parameterize="distance,charge_increment2" parameter_eval="charge_increment3=PRM['VirtualSites/VirtualSite/charge_increment2/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/once']"></VirtualSite>
         <VirtualSite smirks="[#1:2]-[#8X2H2+0:1]-[#1:3]" epsilon="0.0 * kilocalorie_per_mole ** 1" type="DivalentLonePair" match="all_permutations" distance="0.09572 * nanometer ** 1" outOfPlaneAngle="52.25999999987184 * degree ** 1" inPlaneAngle="None" charge_increment1="0 * elementary_charge ** 1" charge_increment2="-0.28793405533815003 * elementary_charge ** 1" charge_increment3="-0.28793405533815003 * elementary_charge ** 1" sigma="1.0 * angstrom ** 1" name="EP-L"></VirtualSite>
     </VirtualSites>
+    <NAGLCharges model_file="openff-gnn-am1bcc-1.0.0.pt" model_file_hash="7981e7f5b0b1e424c9e10a40d9e7606d96dcd3dd2b095cb4eeff6829f92238ee" version="0.3"></NAGLCharges>
 </SMIRNOFF>
\ No newline at end of file

From 083d81f42717597a7e27f7559fb55435d632df0d Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Fri, 6 Mar 2026 11:37:22 +1100
Subject: [PATCH 64/76] try shorten liquid tests more

---
 studies/028_smirnoff_tip4p_geometry_fit/optimize.in       | 8 ++++----
 .../targets/Liquid-H25-RTA/data.csv                       | 4 ----
 2 files changed, 4 insertions(+), 8 deletions(-)

diff --git a/studies/028_smirnoff_tip4p_geometry_fit/optimize.in b/studies/028_smirnoff_tip4p_geometry_fit/optimize.in
index 74f93a35e..bd26f600e 100644
--- a/studies/028_smirnoff_tip4p_geometry_fit/optimize.in
+++ b/studies/028_smirnoff_tip4p_geometry_fit/optimize.in
@@ -56,13 +56,13 @@ w_kappa 1.0
 w_cp 1.0
 w_eps0 1.0
 
-liquid_eq_steps 100
-liquid_md_steps 200
+liquid_eq_steps 50
+liquid_md_steps 100
 liquid_timestep 2.0
 liquid_interval 0.1
 
-gas_eq_steps 100
-gas_prod_steps 200
+gas_eq_steps 50
+gas_prod_steps 100
 gas_timestep 2.0
 gas_interval 0.1
 
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv
index fec3a0314..82fb9be9a 100644
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv
@@ -43,13 +43,9 @@ T,P,MBAR,Rho,Rho_wt,Hvap,Hvap_wt,Cvib_intra,Cvib_inter,Cni,Alpha,Alpha_wt,Kappa,
 # Data going all the way up to the critical point. ,,,,,,,,,,,,,,,,,,,
 # Above 600K the data for second order properties is not trustworthy; FreeSteam and Steam Tables Online have divergent results.,,,,,,,,,,,,,,,,,,,
 #380,1.3 atm,FALSE,953.327,1.0,40.322,1.0,3.546,-3.162,-0.277,7.876,1.0,50.205,1.0,18.195,1.0,0.155,-1.612,53.796,1.0
-#430,5.6 atm,FALSE,910.507,1.0,37.688,1.0,3.551,-2.854,-0.773,10.679,1.0,64.630,1.0,18.639,1.0,0.253,-1.340,42.642,1.0
 #440,7.2 atm,FALSE,900.649,1.0,37.099,1.0,3.552,-2.799,-0.924,11.314,1.0,68.948,1.0,18.769,1.0,0.276,-1.293,40.687,1.0
-#480,17.7 atm,FALSE,856.537,0.1,34.453,0.1,3.556,-2.597,-1.756,14.397,0.0,93.777,0.0,19.506,0.0,0.371,-1.126,33.604,0.0
 #490,21.5 atm,FALSE,844.219,0.1,33.706,0.1,3.557,-2.551,-2.031,15.368,0.0,102.758,0.0,19.764,0.0,0.396,-1.089,31.992,0.0
 # Pressure dependence data.  At very high pressures the weight is reduced because larger deviations from experiment are expected.,,,,,,,,,,,,,,,,,,,
 # The enthalpy of vaporization calculation is meaningless so it is given a weight of zero.,,,,,,,,,,,,,,,,,,,
 298.15,1000.0 bar,TRUE,1037.872,1.0,43.989,0.0,3.542,-3.813,-0.025,3.502,1.0,35.723,1.0,17.123,1.0,0.045,-2.231,81.900,1.0
-298.15,3000.0 bar,TRUE,1101.035,1.0,43.989,0.0,3.542,-3.813,-0.025,4.305,1.0,24.666,1.0,16.492,1.0,0.045,-2.231,87.870,1.0
 298.15,5000.0 bar,TRUE,1149.422,1.0,43.989,0.0,3.542,-3.813,-0.025,4.425,1.0,18.888,1.0,16.301,1.0,0.045,-2.231,93.087,1.0
-#298.15,7000.0 bar,TRUE,1189.159,1.0,43.989,0.0,3.542,-3.813,-0.025,4.355,1.0,15.355,1.0,16.216,1.0,0.045,-2.231,97.891,1.0

From 167b67da0d8494d3c38bf19b344d0a86e31cfee0 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Fri, 6 Mar 2026 16:23:26 +1100
Subject: [PATCH 65/76] try to make fit smaller

---
 .../targets/Liquid-H25-RTA/data.csv           |     2 -
 .../targets/phys-prop/options.json            |    22 +-
 .../targets/water/all.gro                     | 64521 ----------------
 3 files changed, 11 insertions(+), 64534 deletions(-)

diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv
index 82fb9be9a..f1a80ece8 100644
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv
@@ -38,12 +38,10 @@ Global,use_cni,TRUE,,,,,,,,,,,,,,,,,
 ,,,,,,,,,,,,,,,,,,,
 T,P,MBAR,Rho,Rho_wt,Hvap,Hvap_wt,Cvib_intra,Cvib_inter,Cni,Alpha,Alpha_wt,Kappa,Kappa_wt,Cp,Cp_wt,dEvib_intra,dEvib_inter,Eps0,Eps0_wt
 293.15,1.0 atm,TRUE,998.204,1.0,44.203,1.0,3.541,-3.860,-0.021,2.068,1.0,45.892,1.0,18.015,1.0,0.040,-2.277,80.223,1.0
-298.15,1.0 atm,TRUE,997.045,30.0,43.989,1.0,3.542,-3.813,-0.025,2.572,1.0,45.247,1.0,18.002,1.0,0.045,-2.231,78.409,1.0
 301.15,1.0 atm,TRUE,996.234,1.0,43.861,1.0,3.542,-3.785,-0.028,2.853,1.0,44.943,1.0,17.998,1.0,0.048,-2.203,77.339,1.0
 # Data going all the way up to the critical point. ,,,,,,,,,,,,,,,,,,,
 # Above 600K the data for second order properties is not trustworthy; FreeSteam and Steam Tables Online have divergent results.,,,,,,,,,,,,,,,,,,,
 #380,1.3 atm,FALSE,953.327,1.0,40.322,1.0,3.546,-3.162,-0.277,7.876,1.0,50.205,1.0,18.195,1.0,0.155,-1.612,53.796,1.0
-#440,7.2 atm,FALSE,900.649,1.0,37.099,1.0,3.552,-2.799,-0.924,11.314,1.0,68.948,1.0,18.769,1.0,0.276,-1.293,40.687,1.0
 #490,21.5 atm,FALSE,844.219,0.1,33.706,0.1,3.557,-2.551,-2.031,15.368,0.0,102.758,0.0,19.764,0.0,0.396,-1.089,31.992,0.0
 # Pressure dependence data.  At very high pressures the weight is reduced because larger deviations from experiment are expected.,,,,,,,,,,,,,,,,,,,
 # The enthalpy of vaporization calculation is meaningless so it is given a weight of zero.,,,,,,,,,,,,,,,,,,,
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/options.json b/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/options.json
index c1829fc3d..47a657638 100644
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/options.json
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/options.json
@@ -92,7 +92,7 @@
                                         "unit": "g / ml",
                                         "value": 0.95
                                     },
-                                    ".max_molecules": 100,
+                                    ".max_molecules": 80,
                                     ".retain_packmol_files": false,
                                     ".substance": {
                                         "@type": "openff.evaluator.workflow.utils.ProtocolPath",
@@ -148,12 +148,12 @@
                                         "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                         "full_path": "energy_minimisation.output_coordinate_file"
                                     },
-                                    ".output_frequency": 500,
+                                    ".output_frequency": 100,
                                     ".parameterized_system": {
                                         "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                         "full_path": "assign_parameters.parameterized_system"
                                     },
-                                    ".steps_per_iteration": 1000,
+                                    ".steps_per_iteration": 500,
                                     ".thermodynamic_state": {
                                         "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                         "full_path": "global.thermodynamic_state"
@@ -416,7 +416,7 @@
                                         "unit": "g / ml",
                                         "value": 0.95
                                     },
-                                    ".max_molecules": 100,
+                                    ".max_molecules": 80,
                                     ".retain_packmol_files": false,
                                     ".substance": {
                                         "@type": "openff.evaluator.workflow.utils.ProtocolPath",
@@ -472,12 +472,12 @@
                                         "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                         "full_path": "energy_minimisation_liquid.output_coordinate_file"
                                     },
-                                    ".output_frequency": 500,
+                                    ".output_frequency": 50,
                                     ".parameterized_system": {
                                         "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                         "full_path": "assign_parameters_liquid.parameterized_system"
                                     },
-                                    ".steps_per_iteration": 1000,
+                                    ".steps_per_iteration": 100,
                                     ".thermodynamic_state": {
                                         "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                         "full_path": "global.thermodynamic_state"
@@ -604,12 +604,12 @@
                                         "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                         "full_path": "energy_minimisation_gas.output_coordinate_file"
                                     },
-                                    ".output_frequency": 100,
+                                    ".output_frequency": 10,
                                     ".parameterized_system": {
                                         "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                         "full_path": "assign_parameters_gas.parameterized_system"
                                     },
-                                    ".steps_per_iteration": 5000,
+                                    ".steps_per_iteration": 1000,
                                     ".thermodynamic_state": {
                                         "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                         "full_path": "global.thermodynamic_state"
@@ -791,12 +791,12 @@
                                                 "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                                 "full_path": "equilibration_simulation_gas.output_coordinate_file"
                                             },
-                                            ".output_frequency": 100,
+                                            ".output_frequency": 10,
                                             ".parameterized_system": {
                                                 "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                                 "full_path": "assign_parameters_gas.parameterized_system"
                                             },
-                                            ".steps_per_iteration": 10000,
+                                            ".steps_per_iteration": 1000,
                                             ".thermodynamic_state": {
                                                 "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                                 "full_path": "global.thermodynamic_state"
@@ -841,7 +841,7 @@
                                                 "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                                 "full_path": "assign_parameters_liquid.parameterized_system"
                                             },
-                                            ".steps_per_iteration": 500,
+                                            ".steps_per_iteration": 100,
                                             ".thermodynamic_state": {
                                                 "@type": "openff.evaluator.workflow.utils.ProtocolPath",
                                                 "full_path": "global.thermodynamic_state"
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/all.gro b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/all.gro
index 60a2eab1c..d4be562c7 100644
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/all.gro
+++ b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/all.gro
@@ -277,64524 +277,3 @@ Generated by ForceBalance from calcs/cluster-02/VLE/250K/30/qchem.out: Frame 1 o
     1SOL     H5    5   0.062529   0.138418  -0.109796
     1SOL     H6    6   0.030728   0.192267   0.028073
   3.000000   3.000000   3.000000
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-    0SOL     H2    2  -0.082477   0.121075  -0.038962
-    0SOL     H3    3   0.029923   0.222407  -0.043065
-    1SOL     O4    4  -0.009112  -0.139419   0.039033
-    1SOL     H5    5  -0.016291  -0.142724   0.134426
-    1SOL     H6    6   0.015646  -0.048947   0.019949
-  3.000000   3.000000   3.000000
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-    0SOL     H2    2  -0.130770  -0.102447  -0.096326
-    0SOL     H3    3  -0.046894  -0.018870  -0.001993
-    1SOL     O4    4   0.113259   0.075520   0.013092
-    1SOL     H5    5   0.133812   0.105295  -0.075527
-    1SOL     H6    6   0.193552   0.033128   0.043393
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/33/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2   0.032359  -0.056702  -0.003888
-    0SOL     H3    3   0.046895  -0.121909  -0.139740
-    1SOL     O4    4  -0.092232   0.079664   0.071351
-    1SOL     H5    5  -0.032615   0.146850   0.104429
-    1SOL     H6    6  -0.121979   0.113458  -0.013121
-  3.000000   3.000000   3.000000
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-    0SOL     O1    1   0.072281   0.065688   0.097455
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-    0SOL     H3    3   0.019675   0.109128   0.164596
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-    1SOL     H5    5  -0.018845  -0.106508  -0.165280
-    1SOL     H6    6  -0.022178  -0.040278  -0.029187
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-    0SOL     H2    2  -0.080493  -0.193610  -0.025768
-    0SOL     H3    3  -0.015374  -0.058130  -0.007782
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-    1SOL     H5    5   0.036919   0.104686   0.125586
-    1SOL     H6    6   0.086977   0.189312   0.010470
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-    0SOL     H2    2   0.093812   0.117876  -0.126941
-    0SOL     H3    3   0.006931   0.025207  -0.044581
-    1SOL     O4    4  -0.026594  -0.049656   0.123090
-    1SOL     H5    5   0.021691  -0.110879   0.178611
-    1SOL     H6    6  -0.113007  -0.043384   0.163782
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-    0SOL     H2    2   0.000550  -0.132422   0.100384
-    0SOL     H3    3  -0.029728  -0.168563  -0.043477
-    1SOL     O4    4   0.062548   0.128269  -0.036822
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-    1SOL     H6    6   0.003562   0.052883  -0.036662
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-    0SOL     H2    2  -0.053562  -0.061144  -0.159358
-    0SOL     H3    3   0.056672   0.023543  -0.219321
-    1SOL     O4    4  -0.014925   0.005947   0.144526
-    1SOL     H5    5  -0.043718  -0.081953   0.169162
-    1SOL     H6    6   0.049189  -0.008430   0.074920
-  3.000000   3.000000   3.000000
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-    1SOL     H5    5  -0.096924  -0.059222  -0.123039
-    1SOL     H6    6   0.030319  -0.141026  -0.129079
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-    1SOL     H5    5  -0.039320   0.030655   0.015388
-    1SOL     H6    6  -0.166573   0.068531   0.088127
-  3.000000   3.000000   3.000000
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-    0SOL     H3    3  -0.077919  -0.042920   0.149830
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-    1SOL     H5    5   0.075958   0.143482  -0.073893
-    1SOL     H6    6  -0.067900   0.138342  -0.120767
-  3.000000   3.000000   3.000000
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-    0SOL     O1    1  -0.143075  -0.036307  -0.002973
-    0SOL     H2    2  -0.168137  -0.040126  -0.095274
-    0SOL     H3    3  -0.051876  -0.007258  -0.004050
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-    1SOL     H5    5   0.197024   0.040092  -0.061894
-    1SOL     H6    6   0.178654  -0.005121   0.081414
-  3.000000   3.000000   3.000000
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-    0SOL     H3    3   0.029982  -0.012741   0.183540
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-    1SOL     H6    6  -0.046203   0.130895  -0.142128
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-    1SOL     H6    6   0.085496  -0.197784  -0.025590
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-    1SOL     H6    6   0.097465  -0.098655   0.159608
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-    0SOL     H2    2  -0.033197   0.048401   0.116725
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-    1SOL     H6    6   0.164912  -0.060693  -0.006393
-  3.000000   3.000000   3.000000
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-    6
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-    0SOL     H2    2  -0.025423  -0.078211  -0.209101
-    0SOL     H3    3  -0.138856  -0.010252  -0.135388
-    1SOL     O4    4   0.045839   0.021435   0.150279
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-    1SOL     H6    6   0.025936  -0.003964   0.060162
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.071596  -0.145543  -0.029117
-    0SOL     H2    2   0.051387  -0.052245  -0.022098
-    0SOL     H3    3  -0.006756  -0.184194  -0.068224
-    1SOL     O4    4  -0.062225   0.142295   0.024710
-    1SOL     H5    5  -0.044055   0.199961   0.098918
-    1SOL     H6    6  -0.133600   0.086109   0.054893
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102701   0.023890  -0.120297
-    0SOL     H2    2  -0.090201   0.002036  -0.212647
-    0SOL     H3    3  -0.025987   0.076386  -0.097462
-    1SOL     O4    4   0.097860  -0.032752   0.125468
-    1SOL     H5    5   0.156673   0.022506   0.073992
-    1SOL     H6    6   0.031923   0.027658   0.159606
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028482   0.137304  -0.089223
-    0SOL     H2    2  -0.055121   0.087522  -0.166518
-    0SOL     H3    3   0.023411   0.075590  -0.037641
-    1SOL     O4    4   0.021838  -0.129247   0.086662
-    1SOL     H5    5   0.105464  -0.167190   0.059655
-    1SOL     H6    6   0.027938  -0.123115   0.181991
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057582  -0.092372  -0.133874
-    0SOL     H2    2   0.088791  -0.121573  -0.048226
-    0SOL     H3    3   0.064562   0.003041  -0.130708
-    1SOL     O4    4  -0.054565   0.089630   0.132636
-    1SOL     H5    5  -0.115871   0.016673   0.141650
-    1SOL     H6    6  -0.084820   0.136964   0.055135
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075943   0.092303   0.112478
-    0SOL     H2    2  -0.042862   0.178940   0.136183
-    0SOL     H3    3  -0.077577   0.043833   0.195003
-    1SOL     O4    4   0.073968  -0.101347  -0.120099
-    1SOL     H5    5   0.126955  -0.035613  -0.165196
-    1SOL     H6    6   0.026565  -0.052109  -0.053086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.091816  -0.149985  -0.002649
-    0SOL     H2    2   0.055767  -0.062442  -0.016754
-    0SOL     H3    3   0.024835  -0.195598   0.048296
-    1SOL     O4    4  -0.079761   0.148980   0.002168
-    1SOL     H5    5  -0.153064   0.127146   0.059721
-    1SOL     H6    6  -0.117152   0.147488  -0.085934
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.133387  -0.067660   0.071961
-    0SOL     H2    2  -0.175685  -0.140226   0.026055
-    0SOL     H3    3  -0.169342  -0.071122   0.160604
-    1SOL     O4    4   0.139624   0.071716  -0.067361
-    1SOL     H5    5   0.162460   0.009845  -0.136735
-    1SOL     H6    6   0.087626   0.138974  -0.111347
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139402  -0.057335  -0.102598
-    0SOL     H2    2  -0.120209  -0.077462  -0.011007
-    0SOL     H3    3  -0.059648  -0.081485  -0.149698
-    1SOL     O4    4   0.136903   0.059990   0.093708
-    1SOL     H5    5   0.071492  -0.003160   0.123636
-    1SOL     H6    6   0.142567   0.124085   0.164575
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035101   0.162684  -0.064097
-    0SOL     H2    2   0.101857   0.116465  -0.114791
-    0SOL     H3    3   0.076934   0.180397   0.020156
-    1SOL     O4    4  -0.041116  -0.162383   0.068424
-    1SOL     H5    5  -0.097913  -0.101459   0.021258
-    1SOL     H6    6   0.014537  -0.200695   0.000621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128547   0.028543  -0.114072
-    0SOL     H2    2   0.201503   0.042461  -0.174454
-    0SOL     H3    3   0.073938   0.106523  -0.124035
-    1SOL     O4    4  -0.128596  -0.029853   0.113310
-    1SOL     H5    5  -0.066628  -0.057349   0.180884
-    1SOL     H6    6  -0.208591  -0.078667   0.132811
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023226  -0.126672  -0.130438
-    0SOL     H2    2   0.038489  -0.197377  -0.193130
-    0SOL     H3    3  -0.027026  -0.061585  -0.179435
-    1SOL     O4    4  -0.023067   0.119865   0.137905
-    1SOL     H5    5   0.027339   0.178350   0.194483
-    1SOL     H6    6  -0.043164   0.172662   0.060633
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.176008  -0.064195   0.005128
-    0SOL     H2    2   0.234724  -0.127591  -0.036050
-    0SOL     H3    3   0.182380  -0.082893   0.098787
-    1SOL     O4    4  -0.184162   0.071092  -0.012562
-    1SOL     H5    5  -0.151510   0.117001   0.064824
-    1SOL     H6    6  -0.140832  -0.014219  -0.009919
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039734   0.179599   0.096760
-    0SOL     H2    2   0.081875   0.098767   0.067560
-    0SOL     H3    3   0.007447   0.220239   0.016335
-    1SOL     O4    4  -0.046018  -0.180258  -0.091419
-    1SOL     H5    5   0.020680  -0.151613  -0.153814
-    1SOL     H6    6  -0.010327  -0.156903  -0.005728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033030  -0.193676   0.079325
-    0SOL     H2    2   0.044530  -0.142471   0.056415
-    0SOL     H3    3  -0.083869  -0.197773  -0.001674
-    1SOL     O4    4   0.030321   0.189678  -0.066331
-    1SOL     H5    5   0.084169   0.255889  -0.109676
-    1SOL     H6    6  -0.009323   0.140255  -0.138081
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.048492   0.122425  -0.159299
-    0SOL     H2    2   0.093304   0.174888  -0.092953
-    0SOL     H3    3   0.065523   0.168199  -0.241622
-    1SOL     O4    4  -0.048858  -0.125711   0.166165
-    1SOL     H5    5  -0.026722  -0.201628   0.112231
-    1SOL     H6    6  -0.126351  -0.088278   0.124261
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010692  -0.211087   0.051590
-    0SOL     H2    2   0.008100  -0.125914   0.091019
-    0SOL     H3    3  -0.089926  -0.241171   0.096078
-    1SOL     O4    4   0.013750   0.206089  -0.063023
-    1SOL     H5    5   0.021810   0.292630  -0.022923
-    1SOL     H6    6   0.011336   0.145464   0.011011
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041440   0.200045   0.146572
-    0SOL     H2    2  -0.006304   0.124478   0.099482
-    0SOL     H3    3   0.005671   0.200425   0.229896
-    1SOL     O4    4   0.036319  -0.189211  -0.146794
-    1SOL     H5    5   0.054198  -0.268355  -0.096010
-    1SOL     H6    6   0.023151  -0.220573  -0.236267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026029  -0.211826  -0.117268
-    0SOL     H2    2  -0.045865  -0.298362  -0.081484
-    0SOL     H3    3   0.042898  -0.227744  -0.181750
-    1SOL     O4    4   0.022450   0.222572   0.124231
-    1SOL     H5    5   0.096693   0.209029   0.065351
-    1SOL     H6    6  -0.043450   0.159796   0.094590
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037708  -0.122353  -0.209747
-    0SOL     H2    2  -0.038943  -0.214805  -0.184977
-    0SOL     H3    3   0.015401  -0.119538  -0.289333
-    1SOL     O4    4   0.039847   0.131368   0.214416
-    1SOL     H5    5  -0.012763   0.077100   0.273148
-    1SOL     H6    6  -0.002974   0.123002   0.129217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044557  -0.000304  -0.258879
-    0SOL     H2    2   0.005972   0.072029  -0.221772
-    0SOL     H3    3  -0.040996  -0.068801  -0.192113
-    1SOL     O4    4   0.043206  -0.005496   0.251005
-    1SOL     H5    5  -0.017794   0.017463   0.321107
-    1SOL     H6    6   0.075314   0.078660   0.218614
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092829  -0.235265   0.084141
-    0SOL     H2    2   0.042619  -0.297423   0.136844
-    0SOL     H3    3   0.030541  -0.165621   0.063350
-    1SOL     O4    4  -0.086920   0.240743  -0.088417
-    1SOL     H5    5  -0.049497   0.217217  -0.003515
-    1SOL     H6    6  -0.106735   0.156831  -0.129992
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113454  -0.218835   0.093713
-    0SOL     H2    2   0.205754  -0.242215   0.083903
-    0SOL     H3    3   0.067378  -0.277179   0.033419
-    1SOL     O4    4  -0.118236   0.219603  -0.095049
-    1SOL     H5    5  -0.103681   0.188083  -0.005847
-    1SOL     H6    6  -0.090640   0.311234  -0.092925
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074009   0.202182  -0.183798
-    0SOL     H2    2  -0.097492   0.231126  -0.095633
-    0SOL     H3    3  -0.112938   0.115086  -0.191628
-    1SOL     O4    4   0.077515  -0.205344   0.177786
-    1SOL     H5    5   0.008317  -0.152796   0.217943
-    1SOL     H6    6   0.148368  -0.143138   0.161275
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062842  -0.249733   0.137098
-    0SOL     H2    2  -0.027442  -0.241276   0.048567
-    0SOL     H3    3  -0.030987  -0.334662   0.167670
-    1SOL     O4    4   0.059302   0.247333  -0.134057
-    1SOL     H5    5   0.026732   0.303277  -0.204568
-    1SOL     H6    6   0.083517   0.308265  -0.064320
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064533   0.207041  -0.232895
-    0SOL     H2    2  -0.040469   0.227056  -0.142437
-    0SOL     H3    3  -0.002995   0.138740  -0.259547
-    1SOL     O4    4   0.064429  -0.199244   0.231211
-    1SOL     H5    5   0.075028  -0.294128   0.224354
-    1SOL     H6    6  -0.026508  -0.183363   0.205900
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017302   0.204284   0.252365
-    0SOL     H2    2  -0.078411   0.203360   0.251624
-    0SOL     H3    3   0.042128   0.112199   0.260517
-    1SOL     O4    4  -0.013730  -0.196775  -0.246580
-    1SOL     H5    5  -0.085630  -0.203524  -0.309407
-    1SOL     H6    6   0.063613  -0.224798  -0.295520
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043858  -0.315043   0.093665
-    0SOL     H2    2  -0.132920  -0.348890   0.084464
-    0SOL     H3    3   0.004654  -0.355232   0.021597
-    1SOL     O4    4   0.051023   0.322071  -0.092005
-    1SOL     H5    5   0.055841   0.248882  -0.030502
-    1SOL     H6    6  -0.040723   0.349275  -0.089796
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025441   0.334989   0.040661
-    0SOL     H2    2   0.030582   0.340396   0.118085
-    0SOL     H3    3  -0.095096   0.274269   0.065633
-    1SOL     O4    4   0.028201  -0.338108  -0.045724
-    1SOL     H5    5  -0.061679  -0.305313  -0.042825
-    1SOL     H6    6   0.081482  -0.260569  -0.063366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025147   0.322847  -0.120303
-    0SOL     H2    2  -0.033450   0.346083  -0.212788
-    0SOL     H3    3  -0.006124   0.229038  -0.120741
-    1SOL     O4    4   0.024946  -0.318640   0.119475
-    1SOL     H5    5   0.037899  -0.394933   0.175812
-    1SOL     H6    6   0.004796  -0.247265   0.179989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000860   0.371939   0.203126
-    0SOL     H2    2  -0.078516   0.315981   0.202308
-    0SOL     H3    3   0.071677   0.312611   0.183605
-    1SOL     O4    4   0.003407  -0.358618  -0.203106
-    1SOL     H5    5   0.053820  -0.431899  -0.167740
-    1SOL     H6    6  -0.084041  -0.394599  -0.217959
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043000  -0.317003   0.415051
-    0SOL     H2    2   0.115245  -0.305083   0.476703
-    0SOL     H3    3  -0.030335  -0.345960   0.469326
-    1SOL     O4    4  -0.043902   0.311705  -0.423862
-    1SOL     H5    5   0.038838   0.353206  -0.399490
-    1SOL     H6    6  -0.110143   0.378857  -0.407585
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066112  -0.056941   0.102008
-    0SOL     H2    2  -0.043356  -0.147117   0.079365
-    0SOL     H3    3  -0.022560  -0.003751   0.035402
-    1SOL     O4    4   0.056026   0.059558  -0.095862
-    1SOL     H5    5   0.099664  -0.013034  -0.140454
-    1SOL     H6    6   0.126386   0.121389  -0.076147
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039570   0.079377   0.101349
-    0SOL     H2    2   0.004318   0.017091   0.037788
-    0SOL     H3    3   0.134409   0.067262   0.096763
-    1SOL     O4    4  -0.043579  -0.071215  -0.090378
-    1SOL     H5    5  -0.061446  -0.164047  -0.105388
-    1SOL     H6    6  -0.019478  -0.037177  -0.176534
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021784  -0.119828  -0.038199
-    0SOL     H2    2  -0.079017  -0.125336  -0.114726
-    0SOL     H3    3   0.063082  -0.151249  -0.069389
-    1SOL     O4    4   0.026005   0.124556   0.046345
-    1SOL     H5    5   0.009485   0.034029   0.019996
-    1SOL     H6    6  -0.057202   0.169459   0.031424
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011343  -0.107788   0.061538
-    0SOL     H2    2   0.049478  -0.181585   0.013978
-    0SOL     H3    3   0.033992  -0.123976   0.153120
-    1SOL     O4    4  -0.014888   0.114276  -0.070779
-    1SOL     H5    5  -0.029908   0.032415  -0.023498
-    1SOL     H6    6  -0.004659   0.180140  -0.002080
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077012   0.042838  -0.100524
-    0SOL     H2    2  -0.007973   0.048697  -0.034481
-    0SOL     H3    3  -0.043444   0.092959  -0.174843
-    1SOL     O4    4   0.071954  -0.039368   0.098996
-    1SOL     H5    5   0.118017  -0.116048   0.064928
-    1SOL     H6    6   0.012272  -0.074597   0.165022
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026337   0.044708  -0.116629
-    0SOL     H2    2  -0.060103   0.069525  -0.149409
-    0SOL     H3    3   0.085775   0.109736  -0.154055
-    1SOL     O4    4  -0.028069  -0.056568   0.121234
-    1SOL     H5    5   0.001750  -0.011508   0.042223
-    1SOL     H6    6  -0.007061   0.003673   0.192592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107522   0.008589   0.071578
-    0SOL     H2    2  -0.108324  -0.055220   0.142924
-    0SOL     H3    3  -0.178427  -0.019301   0.013640
-    1SOL     O4    4   0.111959   0.001614  -0.077623
-    1SOL     H5    5   0.055068   0.000170  -0.000658
-    1SOL     H6    6   0.166914  -0.076204  -0.068309
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073733  -0.094105   0.065024
-    0SOL     H2    2   0.059628  -0.019312   0.006978
-    0SOL     H3    3   0.111316  -0.161597   0.008502
-    1SOL     O4    4  -0.070472   0.092887  -0.053594
-    1SOL     H5    5  -0.057959   0.102907  -0.147962
-    1SOL     H6    6  -0.165409   0.095194  -0.041595
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022558   0.116588   0.049961
-    0SOL     H2    2  -0.008098   0.207252   0.051563
-    0SOL     H3    3   0.013605   0.086625   0.140428
-    1SOL     O4    4  -0.017049  -0.125341  -0.052169
-    1SOL     H5    5   0.004911  -0.032646  -0.042796
-    1SOL     H6    6  -0.093582  -0.126178  -0.109652
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008320  -0.101151  -0.081451
-    0SOL     H2    2   0.040339  -0.146839  -0.159231
-    0SOL     H3    3  -0.086204  -0.094268  -0.094873
-    1SOL     O4    4  -0.000051   0.104249   0.090958
-    1SOL     H5    5  -0.076645   0.158056   0.070945
-    1SOL     H6    6  -0.005077   0.031389   0.029083
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018403   0.068435  -0.107845
-    0SOL     H2    2   0.048165   0.067849  -0.198819
-    0SOL     H3    3   0.052251   0.150504  -0.072050
-    1SOL     O4    4  -0.019168  -0.078485   0.114335
-    1SOL     H5    5  -0.094079  -0.024134   0.138759
-    1SOL     H6    6   0.008812  -0.044069   0.029512
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127457  -0.003929  -0.057133
-    0SOL     H2    2   0.040980  -0.012213  -0.016939
-    0SOL     H3    3   0.113571   0.053713  -0.132279
-    1SOL     O4    4  -0.119255  -0.003295   0.054453
-    1SOL     H5    5  -0.137805  -0.021084   0.146658
-    1SOL     H6    6  -0.137604   0.090050   0.043856
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076975  -0.023440   0.112259
-    0SOL     H2    2   0.138350   0.049275   0.122646
-    0SOL     H3    3   0.049961  -0.019128   0.020532
-    1SOL     O4    4  -0.073060   0.018153  -0.111420
-    1SOL     H5    5  -0.141294  -0.045171  -0.089138
-    1SOL     H6    6  -0.104795   0.101149  -0.075828
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038518  -0.126495   0.039547
-    0SOL     H2    2   0.019422  -0.032742   0.042377
-    0SOL     H3    3   0.122736  -0.135192   0.084200
-    1SOL     O4    4  -0.039716   0.115585  -0.039451
-    1SOL     H5    5  -0.073202   0.193393   0.005123
-    1SOL     H6    6  -0.048516   0.135653  -0.132629
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007890   0.022238  -0.136845
-    0SOL     H2    2  -0.014188   0.023661  -0.043717
-    0SOL     H3    3   0.023014   0.114043  -0.159329
-    1SOL     O4    4  -0.010787  -0.022706   0.127695
-    1SOL     H5    5   0.081849  -0.025620   0.151618
-    1SOL     H6    6  -0.052092  -0.088511   0.183604
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051879  -0.058265   0.103971
-    0SOL     H2    2   0.042022  -0.153455   0.105988
-    0SOL     H3    3   0.141848  -0.042839   0.132777
-    1SOL     O4    4  -0.055651   0.069436  -0.106632
-    1SOL     H5    5  -0.016374   0.009801  -0.042888
-    1SOL     H6    6  -0.116869   0.014868  -0.155999
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024551   0.067164  -0.111202
-    0SOL     H2    2  -0.044755   0.159320  -0.127366
-    0SOL     H3    3   0.068633   0.059098  -0.131552
-    1SOL     O4    4   0.021262  -0.070266   0.120101
-    1SOL     H5    5   0.004385  -0.015608   0.043354
-    1SOL     H6    6   0.021673  -0.159778   0.086193
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025354  -0.065849   0.111509
-    0SOL     H2    2  -0.055640  -0.004346   0.178310
-    0SOL     H3    3  -0.098273  -0.126817   0.100194
-    1SOL     O4    4   0.029578   0.071885  -0.116973
-    1SOL     H5    5   0.066007  -0.002513  -0.164934
-    1SOL     H6    6   0.020880   0.040481  -0.026970
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073180   0.087372   0.083285
-    0SOL     H2    2   0.067151   0.153249   0.014103
-    0SOL     H3    3   0.027470   0.011102   0.047846
-    1SOL     O4    4  -0.072844  -0.082910  -0.073006
-    1SOL     H5    5  -0.023070  -0.162954  -0.056336
-    1SOL     H6    6  -0.078544  -0.077623  -0.168409
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126308  -0.013364  -0.063028
-    0SOL     H2    2  -0.135343  -0.100098  -0.023557
-    0SOL     H3    3  -0.032883   0.006396  -0.056421
-    1SOL     O4    4   0.116548   0.012890   0.058224
-    1SOL     H5    5   0.105210   0.098927   0.098615
-    1SOL     H6    6   0.211384   0.000481   0.054404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042562   0.062108  -0.119593
-    0SOL     H2    2  -0.074906   0.146545  -0.088184
-    0SOL     H3    3  -0.015801   0.015655  -0.040294
-    1SOL     O4    4   0.042957  -0.062095   0.105642
-    1SOL     H5    5  -0.030557  -0.073079   0.165952
-    1SOL     H6    6   0.119522  -0.090153   0.155771
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033394   0.055780  -0.123433
-    0SOL     H2    2  -0.012357   0.147707  -0.139839
-    0SOL     H3    3   0.012745   0.034720  -0.042254
-    1SOL     O4    4   0.026774  -0.053471   0.119473
-    1SOL     H5    5   0.114412  -0.073228   0.152513
-    1SOL     H6    6  -0.008896  -0.138483   0.093725
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047448   0.086374  -0.088836
-    0SOL     H2    2  -0.020154   0.154083  -0.091634
-    0SOL     H3    3   0.129138   0.134545  -0.075845
-    1SOL     O4    4  -0.052382  -0.098820   0.086391
-    1SOL     H5    5  -0.015019  -0.032326   0.028556
-    1SOL     H6    6  -0.022324  -0.074177   0.173863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002624   0.125967  -0.054512
-    0SOL     H2    2  -0.058495   0.113869  -0.131287
-    0SOL     H3    3  -0.063843   0.135715   0.018423
-    1SOL     O4    4   0.005814  -0.131899   0.054888
-    1SOL     H5    5  -0.026712  -0.041958   0.058784
-    1SOL     H6    6   0.100791  -0.122762   0.047260
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018415  -0.138059   0.035973
-    0SOL     H2    2  -0.029017  -0.096846   0.121713
-    0SOL     H3    3  -0.013555  -0.064794  -0.025435
-    1SOL     O4    4   0.014652   0.128509  -0.040954
-    1SOL     H5    5   0.106158   0.143995  -0.064389
-    1SOL     H6    6   0.005845   0.165285   0.046980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083302   0.084823  -0.076325
-    0SOL     H2    2  -0.077000   0.173314  -0.040382
-    0SOL     H3    3  -0.026056   0.032137  -0.020563
-    1SOL     O4    4   0.073560  -0.087554   0.070794
-    1SOL     H5    5   0.124105  -0.027633   0.125721
-    1SOL     H6    6   0.139499  -0.135796   0.020922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097975  -0.093874   0.039587
-    0SOL     H2    2  -0.173801  -0.044336   0.070551
-    0SOL     H3    3  -0.031534  -0.027342   0.021660
-    1SOL     O4    4   0.092116   0.085643  -0.042962
-    1SOL     H5    5   0.117625   0.167359  -0.000134
-    1SOL     H6    6   0.171654   0.032392  -0.042369
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053743   0.036632   0.113907
-    0SOL     H2    2  -0.128055   0.007770   0.166887
-    0SOL     H3    3   0.007828   0.073725   0.177118
-    1SOL     O4    4   0.057335  -0.032748  -0.125823
-    1SOL     H5    5   0.020984  -0.011351  -0.039898
-    1SOL     H6    6   0.047921  -0.127742  -0.132883
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075099   0.028920   0.111238
-    0SOL     H2    2   0.036205   0.102708   0.158194
-    0SOL     H3    3   0.141689   0.068617   0.055093
-    1SOL     O4    4  -0.080629  -0.040547  -0.113317
-    1SOL     H5    5  -0.030366  -0.041975  -0.031868
-    1SOL     H6    6  -0.061992   0.045219  -0.151517
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047302  -0.105319  -0.072369
-    0SOL     H2    2  -0.042467  -0.088430  -0.166463
-    0SOL     H3    3  -0.140478  -0.118935  -0.055188
-    1SOL     O4    4   0.054167   0.105983   0.082825
-    1SOL     H5    5   0.066775   0.164122   0.007837
-    1SOL     H6    6   0.001070   0.034008   0.048728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017393   0.108148   0.085457
-    0SOL     H2    2   0.025356   0.168560   0.011637
-    0SOL     H3    3  -0.074353   0.114617   0.111972
-    1SOL     O4    4  -0.015687  -0.114978  -0.088365
-    1SOL     H5    5   0.061997  -0.146150  -0.041935
-    1SOL     H6    6  -0.043257  -0.037361  -0.039602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012654  -0.085352  -0.113935
-    0SOL     H2    2  -0.017890  -0.021015  -0.049981
-    0SOL     H3    3   0.024529  -0.035224  -0.194610
-    1SOL     O4    4  -0.012924   0.074157   0.111334
-    1SOL     H5    5   0.006330   0.070174   0.205013
-    1SOL     H6    6  -0.007325   0.167213   0.089619
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073223  -0.083551   0.090507
-    0SOL     H2    2  -0.035503  -0.030848   0.020065
-    0SOL     H3    3  -0.165296  -0.093558   0.066328
-    1SOL     O4    4   0.069834   0.080919  -0.085184
-    1SOL     H5    5   0.131133   0.019714  -0.125912
-    1SOL     H6    6   0.125635   0.145574  -0.041960
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076451  -0.031135  -0.108793
-    0SOL     H2    2   0.096812  -0.124211  -0.117995
-    0SOL     H3    3   0.161258   0.010606  -0.093705
-    1SOL     O4    4  -0.088244   0.034367   0.107431
-    1SOL     H5    5  -0.022888   0.007709   0.042777
-    1SOL     H6    6  -0.037758   0.051509   0.186927
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007444   0.101394  -0.089005
-    0SOL     H2    2   0.078379   0.108523  -0.152877
-    0SOL     H3    3   0.005407   0.186770  -0.045773
-    1SOL     O4    4  -0.006682  -0.111625   0.089488
-    1SOL     H5    5  -0.078046  -0.104302   0.152859
-    1SOL     H6    6  -0.013161  -0.032011   0.036743
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009176  -0.050036  -0.125946
-    0SOL     H2    2  -0.088845  -0.102067  -0.115559
-    0SOL     H3    3  -0.021831  -0.002953  -0.208319
-    1SOL     O4    4   0.015956   0.056970   0.131094
-    1SOL     H5    5   0.055528  -0.005673   0.070494
-    1SOL     H6    6  -0.052992   0.007377   0.175242
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065584   0.075030   0.101247
-    0SOL     H2    2   0.010558   0.003170   0.070091
-    0SOL     H3    3   0.038313   0.088532   0.192001
-    1SOL     O4    4  -0.057127  -0.076600  -0.100625
-    1SOL     H5    5  -0.149744  -0.054214  -0.091498
-    1SOL     H6    6  -0.026692  -0.023336  -0.174103
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060832  -0.118808   0.021953
-    0SOL     H2    2  -0.139114  -0.173169   0.013054
-    0SOL     H3    3   0.011887  -0.178245   0.003477
-    1SOL     O4    4   0.063008   0.127337  -0.026739
-    1SOL     H5    5   0.086632   0.174691   0.053022
-    1SOL     H6    6   0.008915   0.054484   0.003735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044373   0.118956   0.048796
-    0SOL     H2    2   0.138542   0.110402   0.063675
-    0SOL     H3    3   0.013411   0.173036   0.121454
-    1SOL     O4    4  -0.053643  -0.120247  -0.057543
-    1SOL     H5    5  -0.010987  -0.205028  -0.045100
-    1SOL     H6    6  -0.001200  -0.059166  -0.005763
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.142010   0.000445  -0.022176
-    0SOL     H2    2  -0.056393   0.016326   0.017572
-    0SOL     H3    3  -0.204547   0.015553   0.048697
-    1SOL     O4    4   0.138068   0.001457   0.020320
-    1SOL     H5    5   0.170301   0.031425  -0.064681
-    1SOL     H6    6   0.152577  -0.093154   0.019490
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040908  -0.128070   0.019525
-    0SOL     H2    2   0.134321  -0.117150   0.037329
-    0SOL     H3    3   0.027171  -0.222792   0.020671
-    1SOL     O4    4  -0.045045   0.135444  -0.026255
-    1SOL     H5    5  -0.066308   0.179313   0.056121
-    1SOL     H6    6  -0.030113   0.044149  -0.001668
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035222  -0.050494   0.121440
-    0SOL     H2    2   0.025280  -0.026589   0.191657
-    0SOL     H3    3  -0.117261  -0.070867   0.166349
-    1SOL     O4    4   0.034624   0.050476  -0.134080
-    1SOL     H5    5   0.114845   0.087859  -0.097619
-    1SOL     H6    6  -0.009836   0.011177  -0.058972
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016996  -0.144935  -0.029317
-    0SOL     H2    2  -0.046330  -0.148749   0.061718
-    0SOL     H3    3   0.003271  -0.052568  -0.044150
-    1SOL     O4    4   0.016516   0.137628   0.018464
-    1SOL     H5    5   0.096814   0.139589   0.070528
-    1SOL     H6    6  -0.050230   0.175204   0.075869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046104   0.120896   0.064270
-    0SOL     H2    2  -0.049240   0.140181   0.157975
-    0SOL     H3    3  -0.029374   0.026761   0.059689
-    1SOL     O4    4   0.049687  -0.111271  -0.068314
-    1SOL     H5    5  -0.008639  -0.123408  -0.143235
-    1SOL     H6    6   0.035148  -0.188602  -0.013808
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.107021   0.012740   0.102015
-    0SOL     H2    2   0.157193   0.085956   0.066175
-    0SOL     H3    3   0.042193  -0.007265   0.034491
-    1SOL     O4    4  -0.099620  -0.015499  -0.097625
-    1SOL     H5    5  -0.166431  -0.076961  -0.127974
-    1SOL     H6    6  -0.142179   0.033347  -0.027162
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099684  -0.097052  -0.010930
-    0SOL     H2    2  -0.169965  -0.128451   0.045964
-    0SOL     H3    3  -0.144870  -0.060959  -0.087205
-    1SOL     O4    4   0.113485   0.095563   0.011217
-    1SOL     H5    5   0.072034   0.175261   0.044267
-    1SOL     H6    6   0.040658   0.035626  -0.005095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014608  -0.101813   0.106650
-    0SOL     H2    2   0.042319  -0.081051   0.180748
-    0SOL     H3    3   0.001092  -0.031315   0.043834
-    1SOL     O4    4   0.006873   0.092960  -0.102953
-    1SOL     H5    5   0.034361   0.068833  -0.191409
-    1SOL     H6    6   0.043117   0.180542  -0.089609
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022569   0.149800  -0.001895
-    0SOL     H2    2   0.061110   0.132075   0.041070
-    0SOL     H3    3  -0.061889   0.063431  -0.014411
-    1SOL     O4    4   0.020904  -0.138407   0.004323
-    1SOL     H5    5   0.070352  -0.158580  -0.075114
-    1SOL     H6    6  -0.041729  -0.210326   0.012517
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031076  -0.132366  -0.031322
-    0SOL     H2    2   0.119408  -0.162663  -0.052342
-    0SOL     H3    3  -0.025777  -0.180717  -0.091258
-    1SOL     O4    4  -0.029796   0.142710   0.039944
-    1SOL     H5    5   0.013751   0.062762   0.010375
-    1SOL     H6    6  -0.120191   0.133320   0.009896
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061246   0.120606  -0.039459
-    0SOL     H2    2  -0.089666   0.187628   0.022691
-    0SOL     H3    3   0.004528   0.164352  -0.093519
-    1SOL     O4    4   0.055768  -0.133300   0.041827
-    1SOL     H5    5   0.132090  -0.128366  -0.015732
-    1SOL     H6    6   0.029671  -0.042146   0.054947
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071659   0.112660   0.063524
-    0SOL     H2    2   0.007181   0.042768   0.052565
-    0SOL     H3    3   0.043260   0.159409   0.142076
-    1SOL     O4    4  -0.061902  -0.111424  -0.062177
-    1SOL     H5    5  -0.047718  -0.141010  -0.152098
-    1SOL     H6    6  -0.152131  -0.079482  -0.061373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068183   0.073197  -0.114531
-    0SOL     H2    2  -0.141531   0.011877  -0.119247
-    0SOL     H3    3  -0.010269   0.036259  -0.047868
-    1SOL     O4    4   0.071434  -0.060857   0.109492
-    1SOL     H5    5  -0.012998  -0.086475   0.146605
-    1SOL     H6    6   0.116902  -0.143632   0.093897
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035814   0.147919  -0.005158
-    0SOL     H2    2   0.023071   0.053174  -0.009987
-    0SOL     H3    3  -0.041460   0.184741  -0.047998
-    1SOL     O4    4  -0.026807  -0.140762   0.003407
-    1SOL     H5    5  -0.120064  -0.131383   0.022836
-    1SOL     H6    6   0.001927  -0.213713   0.058316
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067427   0.131927   0.003659
-    0SOL     H2    2  -0.056844   0.153253   0.096371
-    0SOL     H3    3  -0.000820   0.184373  -0.040785
-    1SOL     O4    4   0.061023  -0.142000  -0.003442
-    1SOL     H5    5   0.010339  -0.062796  -0.021338
-    1SOL     H6    6   0.145030  -0.127045  -0.046817
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.105074   0.065409   0.091696
-    0SOL     H2    2  -0.057871   0.123895   0.150971
-    0SOL     H3    3  -0.036592   0.024409   0.038861
-    1SOL     O4    4   0.096715  -0.059479  -0.091251
-    1SOL     H5    5   0.045487  -0.128728  -0.132994
-    1SOL     H6    6   0.177491  -0.102743  -0.063579
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079271  -0.118722  -0.056746
-    0SOL     H2    2  -0.048927  -0.046939  -0.001171
-    0SOL     H3    3  -0.102957  -0.188239   0.004644
-    1SOL     O4    4   0.076720   0.114599   0.055463
-    1SOL     H5    5   0.150307   0.102333  -0.004510
-    1SOL     H6    6   0.038734   0.198676   0.029962
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039934   0.055373   0.130741
-    0SOL     H2    2   0.125225   0.013300   0.141585
-    0SOL     H3    3  -0.000072   0.051259   0.217602
-    1SOL     O4    4  -0.041162  -0.059274  -0.137238
-    1SOL     H5    5   0.002174  -0.001873  -0.074076
-    1SOL     H6    6  -0.106017  -0.003319  -0.179960
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067366   0.131391   0.013376
-    0SOL     H2    2   0.035043   0.186283  -0.058070
-    0SOL     H3    3   0.162017   0.127438  -0.000331
-    1SOL     O4    4  -0.070093  -0.139265  -0.012620
-    1SOL     H5    5  -0.120559  -0.142317   0.068659
-    1SOL     H6    6  -0.036806  -0.049619  -0.016848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113963  -0.106033  -0.006571
-    0SOL     H2    2   0.067722  -0.103831   0.077209
-    0SOL     H3    3   0.049929  -0.141222  -0.068408
-    1SOL     O4    4  -0.106748   0.113702   0.008963
-    1SOL     H5    5  -0.071287   0.094805  -0.077914
-    1SOL     H6    6  -0.154734   0.034459   0.033054
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083733   0.047331  -0.118518
-    0SOL     H2    2   0.161978  -0.007738  -0.115819
-    0SOL     H3    3   0.095642   0.109486  -0.046704
-    1SOL     O4    4  -0.084393  -0.051610   0.116756
-    1SOL     H5    5  -0.093034  -0.015327   0.028601
-    1SOL     H6    6  -0.161487  -0.019553   0.163565
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002637   0.124374   0.098017
-    0SOL     H2    2   0.014906   0.048623   0.042192
-    0SOL     H3    3  -0.037082   0.086960   0.179110
-    1SOL     O4    4   0.004816  -0.111477  -0.095862
-    1SOL     H5    5  -0.067369  -0.129411  -0.156112
-    1SOL     H6    6   0.058828  -0.190442  -0.098942
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074823   0.132784  -0.019077
-    0SOL     H2    2   0.002002   0.184146   0.005864
-    0SOL     H3    3  -0.140988   0.155260   0.046340
-    1SOL     O4    4   0.078948  -0.140340   0.018430
-    1SOL     H5    5   0.039532  -0.175712  -0.061304
-    1SOL     H6    6   0.044484  -0.051264   0.024760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111228   0.028239  -0.102792
-    0SOL     H2    2   0.099380   0.115179  -0.064539
-    0SOL     H3    3   0.126291   0.044816  -0.195854
-    1SOL     O4    4  -0.117472  -0.036063   0.106618
-    1SOL     H5    5  -0.040348  -0.088018   0.129309
-    1SOL     H6    6  -0.082011   0.047346   0.075834
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075975  -0.118772   0.085683
-    0SOL     H2    2  -0.006195  -0.129636   0.021068
-    0SOL     H3    3  -0.125441  -0.042771   0.055036
-    1SOL     O4    4   0.069185   0.116059  -0.082909
-    1SOL     H5    5   0.116147   0.169312  -0.018715
-    1SOL     H6    6   0.123603   0.038071  -0.093808
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066409   0.086221   0.109787
-    0SOL     H2    2   0.063449   0.131779   0.193918
-    0SOL     H3    3   0.137210   0.022534   0.119460
-    1SOL     O4    4  -0.065465  -0.087140  -0.118806
-    1SOL     H5    5  -0.160105  -0.098509  -0.127532
-    1SOL     H6    6  -0.054540  -0.038949  -0.036827
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054468   0.040502   0.152800
-    0SOL     H2    2  -0.019140   0.018547   0.095685
-    0SOL     H3    3   0.130580   0.001290   0.110003
-    1SOL     O4    4  -0.054325  -0.038234  -0.140889
-    1SOL     H5    5  -0.036790   0.045800  -0.183235
-    1SOL     H6    6  -0.075330  -0.097539  -0.213028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013730   0.112610   0.121287
-    0SOL     H2    2  -0.068577   0.102840   0.169166
-    0SOL     H3    3   0.011387   0.043439   0.055165
-    1SOL     O4    4  -0.006706  -0.111381  -0.115126
-    1SOL     H5    5  -0.097950  -0.083823  -0.123917
-    1SOL     H6    6   0.033914  -0.086756  -0.198228
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005924  -0.083619  -0.148603
-    0SOL     H2    2   0.058403  -0.044907  -0.207981
-    0SOL     H3    3  -0.005496  -0.026202  -0.072018
-    1SOL     O4    4   0.002500   0.072217   0.145341
-    1SOL     H5    5   0.011301   0.156927   0.101649
-    1SOL     H6    6  -0.011089   0.094064   0.237538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021266  -0.147181   0.083793
-    0SOL     H2    2   0.055139  -0.178413   0.167695
-    0SOL     H3    3   0.027446  -0.051826   0.089416
-    1SOL     O4    4  -0.026804   0.138578  -0.086736
-    1SOL     H5    5   0.065973   0.143650  -0.109736
-    1SOL     H6    6  -0.061075   0.225886  -0.105844
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111389   0.118072   0.086759
-    0SOL     H2    2   0.048018   0.048106   0.070912
-    0SOL     H3    3   0.082394   0.158664   0.168452
-    1SOL     O4    4  -0.106608  -0.120044  -0.084313
-    1SOL     H5    5  -0.164792  -0.050036  -0.113905
-    1SOL     H6    6  -0.043875  -0.130931  -0.155786
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094450   0.013083   0.164540
-    0SOL     H2    2   0.083622   0.010906   0.069459
-    0SOL     H3    3   0.120692  -0.075995   0.187751
-    1SOL     O4    4  -0.093061  -0.009260  -0.153899
-    1SOL     H5    5  -0.130044  -0.070696  -0.217303
-    1SOL     H6    6  -0.095198   0.075421  -0.198474
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008357   0.192898   0.035450
-    0SOL     H2    2   0.050039   0.129411   0.093711
-    0SOL     H3    3  -0.007275   0.144437  -0.045603
-    1SOL     O4    4  -0.014658  -0.182622  -0.030244
-    1SOL     H5    5   0.003630  -0.276414  -0.024674
-    1SOL     H6    6   0.046240  -0.150197  -0.096594
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.175161   0.048697  -0.084074
-    0SOL     H2    2   0.232650  -0.024790  -0.062699
-    0SOL     H3    3   0.129681   0.068210  -0.002140
-    1SOL     O4    4  -0.180311  -0.047471   0.082932
-    1SOL     H5    5  -0.106473   0.013013   0.090142
-    1SOL     H6    6  -0.180239  -0.074596  -0.008864
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021570   0.175106  -0.109292
-    0SOL     H2    2   0.059219   0.089825  -0.131018
-    0SOL     H3    3  -0.064333   0.154702  -0.072324
-    1SOL     O4    4  -0.018411  -0.168857   0.102479
-    1SOL     H5    5  -0.081572  -0.227899   0.143552
-    1SOL     H6    6   0.025156  -0.125506   0.175861
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004132   0.052920   0.221817
-    0SOL     H2    2  -0.086500   0.022134   0.221218
-    0SOL     H3    3   0.050176  -0.006870   0.162932
-    1SOL     O4    4   0.003068  -0.043855  -0.219307
-    1SOL     H5    5  -0.080472  -0.030756  -0.174453
-    1SOL     H6    6  -0.000691  -0.134031  -0.251188
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125431  -0.183995  -0.042054
-    0SOL     H2    2   0.083065  -0.240030   0.022965
-    0SOL     H3    3   0.065972  -0.185077  -0.117059
-    1SOL     O4    4  -0.119473   0.194115   0.041747
-    1SOL     H5    5  -0.105397   0.140128   0.119525
-    1SOL     H6    6  -0.138797   0.131329  -0.027872
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016279   0.249052   0.059376
-    0SOL     H2    2  -0.074673   0.211684  -0.006625
-    0SOL     H3    3  -0.003540   0.178532   0.122835
-    1SOL     O4    4   0.014535  -0.246208  -0.063095
-    1SOL     H5    5   0.023637  -0.247644   0.032181
-    1SOL     H6    6   0.079828  -0.182684  -0.092486
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.081711   0.083613  -0.225705
-    0SOL     H2    2   0.134142   0.092140  -0.146077
-    0SOL     H3    3   0.086441  -0.009424  -0.247704
-    1SOL     O4    4  -0.083835  -0.076512   0.216808
-    1SOL     H5    5  -0.165754  -0.091436   0.264019
-    1SOL     H6    6  -0.015582  -0.104981   0.277581
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.048021   0.266894   0.009263
-    0SOL     H2    2  -0.019584   0.237651  -0.051866
-    0SOL     H3    3   0.105950   0.321855  -0.043518
-    1SOL     O4    4  -0.049644  -0.274644  -0.003858
-    1SOL     H5    5  -0.102206  -0.196050  -0.018772
-    1SOL     H6    6   0.037440  -0.241480   0.018024
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070023  -0.277007  -0.047943
-    0SOL     H2    2  -0.020657  -0.198829  -0.023170
-    0SOL     H3    3  -0.160126  -0.257704  -0.022036
-    1SOL     O4    4   0.069575   0.265304   0.046691
-    1SOL     H5    5   0.048192   0.352228   0.080590
-    1SOL     H6    6   0.139340   0.280867  -0.016972
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061093   0.144721  -0.255526
-    0SOL     H2    2   0.027178   0.165654  -0.286060
-    0SOL     H3    3  -0.074205   0.201282  -0.179425
-    1SOL     O4    4   0.055361  -0.154464   0.248739
-    1SOL     H5    5  -0.005555  -0.093951   0.291043
-    1SOL     H6    6   0.141971  -0.124703   0.276582
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.167100   0.244257   0.047524
-    0SOL     H2    2   0.197582   0.229462   0.137046
-    0SOL     H3    3   0.238353   0.212098  -0.007712
-    1SOL     O4    4  -0.175627  -0.243140  -0.043209
-    1SOL     H5    5  -0.089141  -0.266487  -0.076933
-    1SOL     H6    6  -0.217015  -0.194791  -0.114705
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137840  -0.263109   0.156424
-    0SOL     H2    2  -0.209538  -0.287005   0.215167
-    0SOL     H3    3  -0.093205  -0.191157   0.201068
-    1SOL     O4    4   0.138818   0.254541  -0.158176
-    1SOL     H5    5   0.090530   0.335062  -0.139548
-    1SOL     H6    6   0.190160   0.274890  -0.236357
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014940   0.266248  -0.237348
-    0SOL     H2    2   0.054142   0.181000  -0.218419
-    0SOL     H3    3  -0.052864   0.247595  -0.302287
-    1SOL     O4    4  -0.014573  -0.265958   0.243027
-    1SOL     H5    5  -0.059249  -0.232437   0.165292
-    1SOL     H6    6   0.050302  -0.198847   0.264233
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021022   0.113183  -0.343798
-    0SOL     H2    2  -0.008123   0.093745  -0.254719
-    0SOL     H3    3   0.078440   0.040115  -0.366744
-    1SOL     O4    4  -0.018543  -0.107530   0.335031
-    1SOL     H5    5  -0.091687  -0.168644   0.343823
-    1SOL     H6    6  -0.018622  -0.058058   0.416976
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079293  -0.174032  -0.331851
-    0SOL     H2    2  -0.064470  -0.144851  -0.421802
-    0SOL     H3    3   0.007661  -0.197894  -0.299725
-    1SOL     O4    4   0.077125   0.168391   0.333013
-    1SOL     H5    5   0.017665   0.224536   0.283268
-    1SOL     H6    6   0.076463   0.205097   0.421413
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061662  -0.209404   0.352719
-    0SOL     H2    2   0.007939  -0.135808   0.323397
-    0SOL     H3    3   0.151337  -0.175992   0.350622
-    1SOL     O4    4  -0.061177   0.197963  -0.347097
-    1SOL     H5    5  -0.144534   0.199717  -0.394117
-    1SOL     H6    6  -0.021768   0.283354  -0.364921
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051672   0.303345  -0.282475
-    0SOL     H2    2   0.112459   0.341214  -0.218968
-    0SOL     H3    3  -0.026471   0.358316  -0.276631
-    1SOL     O4    4  -0.046297  -0.304392   0.275571
-    1SOL     H5    5  -0.035565  -0.398598   0.288705
-    1SOL     H6    6  -0.133442  -0.285113   0.310160
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016287   0.016998  -0.420121
-    0SOL     H2    2   0.019663  -0.078606  -0.423397
-    0SOL     H3    3  -0.073098   0.036915  -0.392264
-    1SOL     O4    4  -0.017499  -0.014875   0.416677
-    1SOL     H5    5   0.001070   0.048496   0.485970
-    1SOL     H6    6   0.068664  -0.039947   0.383366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053216   0.368313   0.215513
-    0SOL     H2    2  -0.078272   0.352911   0.306603
-    0SOL     H3    3   0.041438   0.382199   0.218678
-    1SOL     O4    4   0.043804  -0.365205  -0.217086
-    1SOL     H5    5   0.046664  -0.450354  -0.260720
-    1SOL     H6    6   0.132510  -0.330470  -0.226408
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001932  -0.095229   0.083147
-    0SOL     H2    2  -0.097388  -0.099927   0.077823
-    0SOL     H3    3   0.028815  -0.145576   0.007767
-    1SOL     O4    4   0.000337   0.099468  -0.082563
-    1SOL     H5    5   0.084544   0.144713  -0.077620
-    1SOL     H6    6   0.004666   0.033117  -0.013708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099358  -0.077709   0.025317
-    0SOL     H2    2   0.135941  -0.080078   0.113739
-    0SOL     H3    3   0.037264  -0.004882   0.026979
-    1SOL     O4    4  -0.092863   0.077369  -0.026975
-    1SOL     H5    5  -0.161755   0.022508   0.010529
-    1SOL     H6    6  -0.106968   0.072325  -0.121515
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065528   0.086652  -0.080956
-    0SOL     H2    2  -0.000861   0.023485  -0.049483
-    0SOL     H3    3  -0.138414   0.079086  -0.019372
-    1SOL     O4    4   0.068451  -0.080122   0.068383
-    1SOL     H5    5   0.071805  -0.031688   0.150876
-    1SOL     H6    6   0.023317  -0.161654   0.090241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037169  -0.025659  -0.116259
-    0SOL     H2    2  -0.124122  -0.037490  -0.154489
-    0SOL     H3    3   0.009327  -0.106759  -0.136829
-    1SOL     O4    4   0.038049   0.031244   0.126268
-    1SOL     H5    5  -0.010208  -0.014044   0.057112
-    1SOL     H6    6   0.113049   0.070405   0.081504
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079161   0.071254   0.087110
-    0SOL     H2    2   0.024598   0.099229   0.160612
-    0SOL     H3    3   0.017799   0.031109   0.025584
-    1SOL     O4    4  -0.065917  -0.068413  -0.086001
-    1SOL     H5    5  -0.135615  -0.011950  -0.119416
-    1SOL     H6    6  -0.105941  -0.155183  -0.080392
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055570  -0.117793   0.019363
-    0SOL     H2    2   0.008701  -0.139280   0.086963
-    0SOL     H3    3  -0.045936  -0.187204  -0.045841
-    1SOL     O4    4   0.057182   0.123918  -0.022158
-    1SOL     H5    5   0.002889   0.191529   0.018381
-    1SOL     H6    6   0.006761   0.043221  -0.011762
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033479   0.014491   0.133859
-    0SOL     H2    2   0.010728   0.000174   0.041991
-    0SOL     H3    3  -0.008209  -0.057972   0.180481
-    1SOL     O4    4  -0.026657  -0.013404  -0.127349
-    1SOL     H5    5   0.008661   0.072293  -0.151245
-    1SOL     H6    6  -0.111459  -0.017584  -0.171547
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069349   0.072442   0.082404
-    0SOL     H2    2   0.158458   0.106480   0.090358
-    0SOL     H3    3   0.027976   0.093716   0.166058
-    1SOL     O4    4  -0.075151  -0.080770  -0.085075
-    1SOL     H5    5  -0.065052  -0.049758  -0.175067
-    1SOL     H6    6  -0.028499  -0.016162  -0.032049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056561   0.115839  -0.008099
-    0SOL     H2    2  -0.014433   0.178273  -0.023068
-    0SOL     H3    3   0.133708   0.170420   0.007119
-    1SOL     O4    4  -0.056509  -0.129193   0.009334
-    1SOL     H5    5   0.008466  -0.060071   0.022086
-    1SOL     H6    6  -0.132913  -0.084000  -0.026476
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095549  -0.072966   0.056536
-    0SOL     H2    2   0.142777  -0.038616   0.132378
-    0SOL     H3    3   0.031650  -0.133835   0.093606
-    1SOL     O4    4  -0.096234   0.080101  -0.066586
-    1SOL     H5    5  -0.154917   0.008218  -0.043101
-    1SOL     H6    6  -0.011745   0.055360  -0.029011
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014701   0.016846  -0.138599
-    0SOL     H2    2   0.010358   0.014347  -0.043011
-    0SOL     H3    3  -0.072169  -0.011288  -0.167313
-    1SOL     O4    4  -0.010605  -0.014519   0.128609
-    1SOL     H5    5   0.054146   0.027231   0.185411
-    1SOL     H6    6  -0.061919  -0.069948   0.187404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019408  -0.115638  -0.061292
-    0SOL     H2    2   0.038983  -0.152937  -0.127334
-    0SOL     H3    3  -0.008418  -0.172193   0.015148
-    1SOL     O4    4   0.021749   0.123842   0.061638
-    1SOL     H5    5  -0.063816   0.162013   0.081230
-    1SOL     H6    6   0.002084   0.035341   0.030928
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140977   0.009585  -0.006666
-    0SOL     H2    2   0.155198  -0.051544   0.065606
-    0SOL     H3    3   0.047514   0.002476  -0.026073
-    1SOL     O4    4  -0.133754  -0.010120  -0.000800
-    1SOL     H5    5  -0.170884   0.075536  -0.021934
-    1SOL     H6    6  -0.143813  -0.017891   0.094072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112031  -0.044111   0.075036
-    0SOL     H2    2   0.030351  -0.017254   0.032971
-    0SOL     H3    3   0.176270  -0.045400   0.004085
-    1SOL     O4    4  -0.105601   0.038954  -0.065714
-    1SOL     H5    5  -0.195211   0.008179  -0.079328
-    1SOL     H6    6  -0.106274   0.129407  -0.097020
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005800   0.031810   0.138091
-    0SOL     H2    2   0.010379  -0.012190   0.054637
-    0SOL     H3    3  -0.101171   0.037012   0.144385
-    1SOL     O4    4   0.010708  -0.034581  -0.129118
-    1SOL     H5    5   0.082327   0.025182  -0.150597
-    1SOL     H6    6  -0.061367  -0.006998  -0.185746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037934  -0.059878   0.112399
-    0SOL     H2    2   0.097930  -0.134272   0.107077
-    0SOL     H3    3  -0.042438  -0.096459   0.149340
-    1SOL     O4    4  -0.036494   0.063120  -0.120370
-    1SOL     H5    5  -0.021009   0.027449  -0.032905
-    1SOL     H6    6  -0.054053   0.156053  -0.105625
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078633  -0.109514   0.042395
-    0SOL     H2    2  -0.167731  -0.078051   0.057687
-    0SOL     H3    3  -0.030980  -0.032508   0.011385
-    1SOL     O4    4   0.076564   0.097887  -0.038954
-    1SOL     H5    5   0.169059   0.111786  -0.018616
-    1SOL     H6    6   0.054822   0.167697  -0.100729
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057840   0.125175   0.042295
-    0SOL     H2    2   0.028384   0.037420   0.066661
-    0SOL     H3    3   0.030291   0.135302  -0.048814
-    1SOL     O4    4  -0.055927  -0.114283  -0.035605
-    1SOL     H5    5   0.014081  -0.135447  -0.097356
-    1SOL     H6    6  -0.100236  -0.197693  -0.020051
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032882   0.137180  -0.005840
-    0SOL     H2    2  -0.003044   0.049042   0.004326
-    0SOL     H3    3   0.019248   0.178627   0.079358
-    1SOL     O4    4  -0.026556  -0.129314  -0.001575
-    1SOL     H5    5   0.004623  -0.209738   0.039925
-    1SOL     H6    6  -0.121343  -0.140902  -0.008172
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054604   0.101956  -0.084627
-    0SOL     H2    2   0.016026   0.060105  -0.007669
-    0SOL     H3    3   0.006820   0.064664  -0.158710
-    1SOL     O4    4  -0.050453  -0.091140   0.087319
-    1SOL     H5    5  -0.118130  -0.153499   0.060984
-    1SOL     H6    6   0.031856  -0.132958   0.062045
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086109   0.084688   0.056605
-    0SOL     H2    2  -0.036595   0.148815   0.005629
-    0SOL     H3    3  -0.115180   0.132867   0.134039
-    1SOL     O4    4   0.082389  -0.096021  -0.062603
-    1SOL     H5    5   0.168827  -0.055419  -0.069102
-    1SOL     H6    6   0.043158  -0.056607   0.015307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054023  -0.006600   0.132092
-    0SOL     H2    2  -0.011761   0.002320   0.046671
-    0SOL     H3    3  -0.122933  -0.071547   0.118109
-    1SOL     O4    4   0.049851   0.009207  -0.122627
-    1SOL     H5    5   0.097278   0.090512  -0.140021
-    1SOL     H6    6   0.102869  -0.058846  -0.164103
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119755   0.072522  -0.026710
-    0SOL     H2    2   0.025128   0.059702  -0.020097
-    0SOL     H3    3   0.152203   0.058050   0.062172
-    1SOL     O4    4  -0.114879  -0.065099   0.017451
-    1SOL     H5    5  -0.145415  -0.149764  -0.015132
-    1SOL     H6    6  -0.109369  -0.076468   0.112333
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-    6
-    0SOL     O1    1   0.017938   0.040553  -0.136425
-    0SOL     H2    2   0.035551   0.034005  -0.042568
-    0SOL     H3    3   0.002245  -0.049678  -0.164251
-    1SOL     O4    4  -0.013290  -0.031614   0.129871
-    1SOL     H5    5  -0.093008   0.003845   0.169241
-    1SOL     H6    6  -0.020818  -0.126317   0.141575
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.000519  -0.089151  -0.110805
-    0SOL     H2    2   0.090323  -0.094025  -0.140573
-    0SOL     H3    3   0.002525  -0.032650  -0.033599
-    1SOL     O4    4  -0.008760   0.088596   0.104076
-    1SOL     H5    5  -0.024743   0.028225   0.176617
-    1SOL     H6    6   0.084455   0.109442   0.110295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012319  -0.063390  -0.122061
-    0SOL     H2    2   0.015655   0.016860  -0.174130
-    0SOL     H3    3  -0.079863  -0.089132  -0.123525
-    1SOL     O4    4  -0.005568   0.059993   0.132306
-    1SOL     H5    5   0.004032  -0.005580   0.063238
-    1SOL     H6    6  -0.043921   0.135820   0.088244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018096  -0.130135   0.019831
-    0SOL     H2    2  -0.044309  -0.167792   0.081878
-    0SOL     H3    3   0.096686  -0.183973   0.029177
-    1SOL     O4    4  -0.024698   0.140022  -0.023837
-    1SOL     H5    5   0.066188   0.164467  -0.041285
-    1SOL     H6    6  -0.022002   0.045209  -0.010972
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.081039  -0.092022  -0.050575
-    0SOL     H2    2   0.047262  -0.168703  -0.096852
-    0SOL     H3    3   0.175966  -0.097127  -0.061764
-    1SOL     O4    4  -0.087436   0.097398   0.060154
-    1SOL     H5    5  -0.088212   0.160551  -0.011773
-    1SOL     H6    6  -0.036425   0.023610   0.026754
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.108455  -0.002995   0.092202
-    0SOL     H2    2  -0.116089   0.080446   0.138480
-    0SOL     H3    3  -0.064926   0.019119   0.009871
-    1SOL     O4    4   0.102845   0.000859  -0.093784
-    1SOL     H5    5   0.157679   0.022069  -0.018248
-    1SOL     H6    6   0.108453  -0.094383  -0.101523
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020716  -0.053219  -0.132581
-    0SOL     H2    2  -0.011766  -0.019508  -0.049089
-    0SOL     H3    3   0.085659  -0.119175  -0.108198
-    1SOL     O4    4  -0.025522   0.053552   0.120941
-    1SOL     H5    5   0.037461   0.122814   0.140897
-    1SOL     H6    6  -0.032413   0.003268   0.202098
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070352   0.086877   0.089051
-    0SOL     H2    2  -0.089951   0.040943   0.170710
-    0SOL     H3    3  -0.035835   0.019018   0.031033
-    1SOL     O4    4   0.063506  -0.082379  -0.090541
-    1SOL     H5    5   0.134241  -0.110526  -0.032518
-    1SOL     H6    6   0.103679  -0.016447  -0.147121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031293  -0.006782   0.131684
-    0SOL     H2    2   0.020446  -0.087312   0.132214
-    0SOL     H3    3  -0.010825   0.035442   0.215114
-    1SOL     O4    4   0.029509   0.003650  -0.140298
-    1SOL     H5    5   0.010851   0.093438  -0.167729
-    1SOL     H6    6   0.005710   0.001437  -0.047611
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024159  -0.122893   0.071473
-    0SOL     H2    2   0.005499  -0.038640   0.037060
-    0SOL     H3    3  -0.103668  -0.102122   0.120556
-    1SOL     O4    4   0.027947   0.109627  -0.071287
-    1SOL     H5    5  -0.052118   0.160930  -0.060333
-    1SOL     H6    6   0.093906   0.173542  -0.098241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064578   0.120980   0.008091
-    0SOL     H2    2  -0.150125   0.081732  -0.009332
-    0SOL     H3    3  -0.070358   0.151988   0.098465
-    1SOL     O4    4   0.076329  -0.121035  -0.012187
-    1SOL     H5    5   0.011508  -0.189397  -0.029137
-    1SOL     H6    6   0.024535  -0.041702   0.001450
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014144   0.087376  -0.109733
-    0SOL     H2    2  -0.044381   0.054144  -0.041668
-    0SOL     H3    3  -0.044069   0.129507  -0.172967
-    1SOL     O4    4  -0.007541  -0.083083   0.104402
-    1SOL     H5    5  -0.064079  -0.084060   0.181634
-    1SOL     H6    6   0.044489  -0.163092   0.111735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016182   0.138833  -0.031826
-    0SOL     H2    2  -0.005160   0.053738   0.006459
-    0SOL     H3    3   0.010126   0.200262   0.041333
-    1SOL     O4    4  -0.008738  -0.133489   0.025217
-    1SOL     H5    5  -0.061513  -0.163077  -0.048956
-    1SOL     H6    6  -0.051577  -0.171592   0.101867
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003478   0.037313   0.141627
-    0SOL     H2    2   0.014630   0.025886   0.048333
-    0SOL     H3    3  -0.064920  -0.032925   0.162927
-    1SOL     O4    4   0.005443  -0.038363  -0.133397
-    1SOL     H5    5   0.077477  -0.010965  -0.190167
-    1SOL     H6    6  -0.056478   0.034573  -0.136304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092399  -0.111838  -0.015230
-    0SOL     H2    2  -0.033170  -0.036652  -0.016361
-    0SOL     H3    3  -0.042200  -0.181294   0.027411
-    1SOL     O4    4   0.081042   0.109185   0.008445
-    1SOL     H5    5   0.075051   0.128200   0.102066
-    1SOL     H6    6   0.171999   0.128575  -0.014209
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041135  -0.126539  -0.035790
-    0SOL     H2    2   0.136577  -0.129938  -0.029346
-    0SOL     H3    3   0.010814  -0.199388   0.018395
-    1SOL     O4    4  -0.043473   0.136808   0.031998
-    1SOL     H5    5   0.006128   0.064173  -0.005768
-    1SOL     H6    6  -0.116560   0.094901   0.077434
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093977  -0.082955   0.072590
-    0SOL     H2    2  -0.170828  -0.034389   0.102551
-    0SOL     H3    3  -0.035128  -0.015825   0.038053
-    1SOL     O4    4   0.090487   0.072070  -0.073251
-    1SOL     H5    5   0.167531   0.064921  -0.016900
-    1SOL     H6    6   0.099132   0.157790  -0.114961
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036996   0.092574  -0.098349
-    0SOL     H2    2   0.065958   0.166149  -0.044402
-    0SOL     H3    3  -0.049973   0.118132  -0.129098
-    1SOL     O4    4  -0.035537  -0.105648   0.097667
-    1SOL     H5    5  -0.004725  -0.043781   0.163888
-    1SOL     H6    6  -0.041071  -0.053979   0.017280
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109661  -0.061098   0.053964
-    0SOL     H2    2   0.142952  -0.150109   0.042515
-    0SOL     H3    3   0.187935  -0.006003   0.053864
-    1SOL     O4    4  -0.122165   0.059732  -0.054091
-    1SOL     H5    5  -0.103315   0.152856  -0.065707
-    1SOL     H6    6  -0.038007   0.021040  -0.029951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108784   0.082089   0.020729
-    0SOL     H2    2  -0.201147   0.090348   0.044461
-    0SOL     H3    3  -0.100363   0.131840  -0.060611
-    1SOL     O4    4   0.116734  -0.089188  -0.013281
-    1SOL     H5    5   0.139426  -0.068802  -0.104010
-    1SOL     H6    6   0.035396  -0.041245   0.002466
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013604  -0.067667  -0.129547
-    0SOL     H2    2   0.000905  -0.022835  -0.046229
-    0SOL     H3    3   0.061447  -0.042865  -0.183533
-    1SOL     O4    4   0.009632   0.066504   0.122079
-    1SOL     H5    5   0.049973   0.081279   0.207616
-    1SOL     H6    6  -0.056522  -0.000809   0.138051
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.052689   0.021015  -0.133991
-    0SOL     H2    2  -0.019494  -0.020093  -0.054175
-    0SOL     H3    3  -0.065639  -0.051723  -0.194849
-    1SOL     O4    4   0.054806  -0.016276   0.127662
-    1SOL     H5    5   0.076875   0.059585   0.181702
-    1SOL     H6    6  -0.023103  -0.053393   0.169074
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.085674  -0.101375  -0.039022
-    0SOL     H2    2   0.050340  -0.188355  -0.057686
-    0SOL     H3    3   0.160018  -0.117625   0.019040
-    1SOL     O4    4  -0.087711   0.114254   0.035684
-    1SOL     H5    5  -0.024934   0.046544   0.010452
-    1SOL     H6    6  -0.158334   0.066488   0.079195
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.052595   0.096028   0.085334
-    0SOL     H2    2   0.086328   0.163418   0.026316
-    0SOL     H3    3   0.034401   0.142554   0.166983
-    1SOL     O4    4  -0.059115  -0.104459  -0.089944
-    1SOL     H5    5   0.025380  -0.149002  -0.083712
-    1SOL     H6    6  -0.048441  -0.025266  -0.037247
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124888  -0.037485   0.049433
-    0SOL     H2    2  -0.124090  -0.033218   0.145054
-    0SOL     H3    3  -0.203875   0.010197   0.023940
-    1SOL     O4    4   0.135271   0.032239  -0.050723
-    1SOL     H5    5   0.045175   0.019116  -0.021179
-    1SOL     H6    6   0.126995   0.084436  -0.130530
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110569  -0.100520   0.000575
-    0SOL     H2    2   0.047798  -0.028358   0.004415
-    0SOL     H3    3   0.057363  -0.179249   0.012114
-    1SOL     O4    4  -0.098314   0.100182   0.001980
-    1SOL     H5    5  -0.109604   0.138027  -0.085213
-    1SOL     H6    6  -0.185963   0.070945   0.026985
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053544   0.117457   0.074688
-    0SOL     H2    2   0.148281   0.104427   0.078866
-    0SOL     H3    3   0.019019   0.033235   0.045074
-    1SOL     O4    4  -0.051492  -0.108610  -0.070959
-    1SOL     H5    5  -0.099450  -0.180090  -0.029091
-    1SOL     H6    6  -0.100479  -0.090606  -0.151199
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030459   0.136088  -0.054969
-    0SOL     H2    2   0.008530   0.045040  -0.035178
-    0SOL     H3    3   0.081571   0.165405   0.020465
-    1SOL     O4    4  -0.027326  -0.128973   0.046668
-    1SOL     H5    5  -0.097208  -0.100487   0.105552
-    1SOL     H6    6  -0.039997  -0.223484   0.038339
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037460   0.053472   0.133587
-    0SOL     H2    2   0.008780   0.019663   0.048754
-    0SOL     H3    3   0.071310  -0.023223   0.179787
-    1SOL     O4    4  -0.031014  -0.047116  -0.130170
-    1SOL     H5    5  -0.092961   0.022183  -0.153027
-    1SOL     H6    6  -0.082806  -0.127557  -0.133189
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139221   0.044837   0.022124
-    0SOL     H2    2   0.152221   0.123809   0.074630
-    0SOL     H3    3   0.045137   0.027933   0.027093
-    1SOL     O4    4  -0.130013  -0.044795  -0.029770
-    1SOL     H5    5  -0.125818  -0.138033  -0.008521
-    1SOL     H6    6  -0.206579  -0.012738   0.017899
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077199   0.112237   0.036175
-    0SOL     H2    2  -0.091952   0.131705   0.128726
-    0SOL     H3    3  -0.163247   0.122412  -0.004502
-    1SOL     O4    4   0.088613  -0.113005  -0.043590
-    1SOL     H5    5   0.065757  -0.193559   0.002789
-    1SOL     H6    6   0.021602  -0.050092  -0.016874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050008   0.129187   0.027439
-    0SOL     H2    2  -0.053796   0.197679   0.094199
-    0SOL     H3    3  -0.045188   0.176747  -0.055490
-    1SOL     O4    4   0.051464  -0.140081  -0.021637
-    1SOL     H5    5   0.076518  -0.144003  -0.113936
-    1SOL     H6    6  -0.000282  -0.059898  -0.014202
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011861  -0.129938   0.056268
-    0SOL     H2    2   0.005708  -0.123449   0.150138
-    0SOL     H3    3  -0.086995  -0.188905   0.049935
-    1SOL     O4    4   0.018070   0.138340  -0.056643
-    1SOL     H5    5   0.000518   0.046708  -0.035250
-    1SOL     H6    6  -0.006502   0.146604  -0.148786
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116057   0.097334  -0.022987
-    0SOL     H2    2   0.035724   0.054381   0.006407
-    0SOL     H3    3   0.174904   0.025298  -0.045576
-    1SOL     O4    4  -0.110925  -0.086610   0.027238
-    1SOL     H5    5  -0.199120  -0.070218  -0.006159
-    1SOL     H6    6  -0.084600  -0.168931  -0.013901
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.129604  -0.038821   0.046750
-    0SOL     H2    2   0.161767  -0.127052   0.028225
-    0SOL     H3    3   0.205668   0.007605   0.081697
-    1SOL     O4    4  -0.140549   0.040758  -0.053490
-    1SOL     H5    5  -0.148569   0.090575   0.027850
-    1SOL     H6    6  -0.056698  -0.004730  -0.045604
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112182  -0.099875   0.036706
-    0SOL     H2    2   0.036628  -0.045192   0.015175
-    0SOL     H3    3   0.185932  -0.057131  -0.006839
-    1SOL     O4    4  -0.112942   0.096026  -0.026584
-    1SOL     H5    5  -0.148789   0.021566  -0.074885
-    1SOL     H6    6  -0.062338   0.144711  -0.091633
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042079  -0.147562  -0.034209
-    0SOL     H2    2  -0.047191  -0.118849  -0.015006
-    0SOL     H3    3   0.096899  -0.072568  -0.011121
-    1SOL     O4    4  -0.034803   0.139671   0.027497
-    1SOL     H5    5  -0.031993   0.169778   0.118315
-    1SOL     H6    6  -0.128011   0.137424   0.005831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095777   0.091339  -0.075478
-    0SOL     H2    2  -0.165771   0.148275  -0.043519
-    0SOL     H3    3  -0.054615   0.057066   0.003853
-    1SOL     O4    4   0.097735  -0.093307   0.061750
-    1SOL     H5    5   0.055376  -0.154246   0.122202
-    1SOL     H6    6   0.134784  -0.025418   0.118148
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.064023   0.097393   0.100832
-    0SOL     H2    2   0.042174   0.045464   0.023448
-    0SOL     H3    3   0.140379   0.148757   0.074490
-    1SOL     O4    4  -0.068727  -0.094716  -0.088158
-    1SOL     H5    5   0.002681  -0.151654  -0.116814
-    1SOL     H6    6  -0.123339  -0.083690  -0.165994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068460   0.109445   0.088755
-    0SOL     H2    2   0.046998   0.044682   0.021618
-    0SOL     H3    3   0.027839   0.075641   0.168565
-    1SOL     O4    4  -0.067422  -0.102127  -0.083211
-    1SOL     H5    5  -0.036587  -0.047814  -0.155748
-    1SOL     H6    6  -0.060064  -0.191891  -0.115627
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015688   0.101960  -0.116649
-    0SOL     H2    2   0.015260   0.035947  -0.054625
-    0SOL     H3    3   0.053412   0.168191  -0.117672
-    1SOL     O4    4   0.015426  -0.099040   0.110080
-    1SOL     H5    5  -0.056002  -0.050457   0.151312
-    1SOL     H6    6  -0.008371  -0.191043   0.121547
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125191  -0.012549  -0.084169
-    0SOL     H2    2   0.123361  -0.105492  -0.106988
-    0SOL     H3    3   0.106831   0.032736  -0.166475
-    1SOL     O4    4  -0.127995   0.009406   0.089004
-    1SOL     H5    5  -0.041569   0.029445   0.053071
-    1SOL     H6    6  -0.148526   0.084113   0.145215
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055439  -0.137598   0.055829
-    0SOL     H2    2  -0.011206  -0.207606   0.007822
-    0SOL     H3    3  -0.033685  -0.057894   0.007493
-    1SOL     O4    4   0.055329   0.134414  -0.045448
-    1SOL     H5    5   0.057928   0.127838  -0.140906
-    1SOL     H6    6  -0.021618   0.188343  -0.027194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037679   0.102726   0.113837
-    0SOL     H2    2  -0.016287   0.057448   0.032261
-    0SOL     H3    3  -0.050275   0.194032   0.088014
-    1SOL     O4    4   0.034197  -0.098847  -0.107567
-    1SOL     H5    5  -0.008431  -0.182981  -0.091238
-    1SOL     H6    6   0.125519  -0.121281  -0.125438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093713  -0.111363  -0.041368
-    0SOL     H2    2  -0.058038  -0.118392  -0.129913
-    0SOL     H3    3  -0.188348  -0.119986  -0.052869
-    1SOL     O4    4   0.098744   0.116944   0.042610
-    1SOL     H5    5   0.133306   0.107969   0.131420
-    1SOL     H6    6   0.036261   0.044969   0.033786
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055146  -0.061102  -0.138613
-    0SOL     H2    2  -0.052842   0.000715  -0.065567
-    0SOL     H3    3  -0.126152  -0.029555  -0.194518
-    1SOL     O4    4   0.058990   0.051392   0.132367
-    1SOL     H5    5   0.036337   0.035580   0.224014
-    1SOL     H6    6   0.076602   0.145370   0.127869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075340   0.021939   0.138426
-    0SOL     H2    2   0.003983   0.071770   0.118748
-    0SOL     H3    3  -0.120428   0.073895   0.204984
-    1SOL     O4    4   0.074495  -0.024485  -0.147224
-    1SOL     H5    5   0.092277   0.011708  -0.060413
-    1SOL     H6    6   0.040867  -0.112456  -0.130121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073266  -0.066330  -0.133400
-    0SOL     H2    2  -0.063702   0.007315  -0.193793
-    0SOL     H3    3   0.011800  -0.072996  -0.090021
-    1SOL     O4    4   0.067680   0.059959   0.127858
-    1SOL     H5    5   0.132551   0.037956   0.194717
-    1SOL     H6    6   0.008280   0.121182   0.171283
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036993   0.023612   0.162054
-    0SOL     H2    2   0.012130   0.035487   0.070385
-    0SOL     H3    3   0.100055   0.093582   0.179074
-    1SOL     O4    4  -0.041374  -0.029907  -0.151368
-    1SOL     H5    5   0.022038   0.036879  -0.177462
-    1SOL     H6    6  -0.069240  -0.070010  -0.233694
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079785   0.150712  -0.012647
-    0SOL     H2    2   0.145828   0.084489   0.007730
-    0SOL     H3    3  -0.002604   0.102119  -0.016272
-    1SOL     O4    4  -0.075201  -0.140857   0.006493
-    1SOL     H5    5  -0.143708  -0.205837  -0.009214
-    1SOL     H6    6  -0.071350  -0.132598   0.101778
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034106  -0.096217  -0.130073
-    0SOL     H2    2   0.002614  -0.064955  -0.212757
-    0SOL     H3    3  -0.110447  -0.040445  -0.115107
-    1SOL     O4    4   0.035031   0.091262   0.140623
-    1SOL     H5    5   0.113191   0.057450   0.096918
-    1SOL     H6    6  -0.019903   0.124174   0.069480
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025958  -0.011108   0.169753
-    0SOL     H2    2  -0.088291  -0.083296   0.177867
-    0SOL     H3    3   0.040790  -0.029493   0.235852
-    1SOL     O4    4   0.028027   0.022771  -0.173107
-    1SOL     H5    5  -0.018706  -0.020677  -0.244456
-    1SOL     H6    6   0.040263  -0.045630  -0.107274
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046864  -0.111243   0.135504
-    0SOL     H2    2   0.132943  -0.084049   0.103671
-    0SOL     H3    3   0.010482  -0.032706   0.176377
-    1SOL     O4    4  -0.055126   0.103306  -0.133288
-    1SOL     H5    5   0.028177   0.121376  -0.089739
-    1SOL     H6    6  -0.036821   0.116112  -0.226364
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110555  -0.131956   0.044738
-    0SOL     H2    2   0.053528  -0.160493   0.116124
-    0SOL     H3    3   0.199260  -0.143582   0.078774
-    1SOL     O4    4  -0.108604   0.139226  -0.047756
-    1SOL     H5    5  -0.091870   0.045600  -0.036962
-    1SOL     H6    6  -0.187222   0.143434  -0.102196
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099094  -0.101290   0.129937
-    0SOL     H2    2   0.086252  -0.092348   0.035505
-    0SOL     H3    3   0.030835  -0.046535   0.168731
-    1SOL     O4    4  -0.093991   0.104336  -0.125784
-    1SOL     H5    5  -0.173393   0.050905  -0.124086
-    1SOL     H6    6  -0.023513   0.042031  -0.143480
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107707   0.137741  -0.094703
-    0SOL     H2    2  -0.120933   0.199456  -0.022740
-    0SOL     H3    3  -0.120634   0.051564  -0.055096
-    1SOL     O4    4   0.102600  -0.135919   0.087227
-    1SOL     H5    5   0.171424  -0.076023   0.058277
-    1SOL     H6    6   0.148997  -0.204097   0.135820
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080892  -0.147346  -0.117073
-    0SOL     H2    2  -0.085430  -0.072699  -0.176818
-    0SOL     H3    3  -0.148044  -0.207678  -0.148903
-    1SOL     O4    4   0.089327   0.142930   0.118725
-    1SOL     H5    5   0.099797   0.233968   0.146379
-    1SOL     H6    6   0.009396   0.113603   0.162467
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003877  -0.147775   0.157427
-    0SOL     H2    2   0.098666  -0.149784   0.170592
-    0SOL     H3    3  -0.015942  -0.055827   0.139673
-    1SOL     O4    4  -0.006069   0.143280  -0.150697
-    1SOL     H5    5   0.012544   0.187791  -0.233368
-    1SOL     H6    6  -0.065906   0.072464  -0.174510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043546  -0.115714   0.174287
-    0SOL     H2    2   0.008618  -0.113212   0.263372
-    0SOL     H3    3   0.053224  -0.208953   0.154914
-    1SOL     O4    4  -0.043384   0.124940  -0.173205
-    1SOL     H5    5   0.028924   0.062681  -0.180799
-    1SOL     H6    6  -0.091710   0.115726  -0.255314
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002932  -0.191317  -0.139352
-    0SOL     H2    2  -0.091559  -0.198637  -0.125924
-    0SOL     H3    3   0.039050  -0.270451  -0.099409
-    1SOL     O4    4  -0.001257   0.192363   0.141158
-    1SOL     H5    5   0.005402   0.170019   0.048321
-    1SOL     H6    6   0.016878   0.286287   0.144597
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063036  -0.234743   0.041966
-    0SOL     H2    2   0.067409  -0.197136  -0.045949
-    0SOL     H3    3  -0.013987  -0.194074   0.081661
-    1SOL     O4    4  -0.062850   0.225029  -0.040504
-    1SOL     H5    5   0.031939   0.217867  -0.029276
-    1SOL     H6    6  -0.081165   0.318485  -0.030868
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033977  -0.140916   0.201651
-    0SOL     H2    2   0.013572  -0.067148   0.259133
-    0SOL     H3    3   0.129616  -0.142995   0.198307
-    1SOL     O4    4  -0.035300   0.133028  -0.200027
-    1SOL     H5    5  -0.067292   0.222268  -0.186800
-    1SOL     H6    6  -0.051411   0.115246  -0.292691
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061570   0.289384  -0.133067
-    0SOL     H2    2  -0.001536   0.220565  -0.104391
-    0SOL     H3    3  -0.119324   0.246164  -0.195986
-    1SOL     O4    4   0.063745  -0.277549   0.132881
-    1SOL     H5    5   0.112259  -0.349518   0.173244
-    1SOL     H6    6  -0.025861  -0.310326   0.125227
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023558   0.275176   0.173210
-    0SOL     H2    2   0.090574   0.332644   0.210203
-    0SOL     H3    3  -0.024270   0.330646   0.111583
-    1SOL     O4    4  -0.027318  -0.286850  -0.175449
-    1SOL     H5    5  -0.071377  -0.244047  -0.102039
-    1SOL     H6    6   0.059550  -0.246728  -0.177998
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042491  -0.338931  -0.016110
-    0SOL     H2    2   0.009245  -0.302556  -0.098170
-    0SOL     H3    3  -0.033173  -0.338976   0.042518
-    1SOL     O4    4  -0.039153   0.343194   0.018254
-    1SOL     H5    5  -0.053492   0.283602  -0.055268
-    1SOL     H6    6   0.018923   0.295062   0.077185
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097152  -0.267690   0.303653
-    0SOL     H2    2   0.019565  -0.323722   0.305391
-    0SOL     H3    3   0.161064  -0.313497   0.358235
-    1SOL     O4    4  -0.091374   0.278293  -0.305709
-    1SOL     H5    5  -0.080056   0.192088  -0.345745
-    1SOL     H6    6  -0.184379   0.282390  -0.283447
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.142334  -0.422236   0.094213
-    0SOL     H2    2   0.201713  -0.363351   0.140786
-    0SOL     H3    3   0.136912  -0.385879   0.005833
-    1SOL     O4    4  -0.144375   0.417659  -0.098039
-    1SOL     H5    5  -0.184899   0.476142  -0.034009
-    1SOL     H6    6  -0.124489   0.338103  -0.048666
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099907  -0.069679   0.022094
-    0SOL     H2    2  -0.079229  -0.114531   0.104089
-    0SOL     H3    3  -0.141293  -0.136781  -0.032190
-    1SOL     O4    4   0.106413   0.079666  -0.019975
-    1SOL     H5    5   0.109659   0.044953  -0.109120
-    1SOL     H6    6   0.018773   0.057266   0.011326
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111237   0.026075   0.049460
-    0SOL     H2    2  -0.119143  -0.050032   0.106970
-    0SOL     H3    3  -0.141164   0.099690   0.102823
-    1SOL     O4    4   0.119179  -0.027636  -0.052627
-    1SOL     H5    5   0.028243  -0.019347  -0.023918
-    1SOL     H6    6   0.116564  -0.008651  -0.146409
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021092  -0.030998   0.126411
-    0SOL     H2    2   0.094644  -0.086754   0.151783
-    0SOL     H3    3   0.037403  -0.010139   0.034426
-    1SOL     O4    4  -0.019023   0.033172  -0.123899
-    1SOL     H5    5  -0.080604   0.102444  -0.099993
-    1SOL     H6    6  -0.072944  -0.045638  -0.130519
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.114396   0.012494  -0.045590
-    0SOL     H2    2  -0.141355   0.059583  -0.124445
-    0SOL     H3    3  -0.196547  -0.012246  -0.003147
-    1SOL     O4    4   0.125996  -0.016228   0.044204
-    1SOL     H5    5   0.037557  -0.005962   0.009055
-    1SOL     H6    6   0.120006   0.016140   0.134086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125566   0.015848  -0.053807
-    0SOL     H2    2   0.169192   0.028627   0.030430
-    0SOL     H3    3   0.032269   0.014033  -0.032483
-    1SOL     O4    4  -0.116695  -0.018462   0.043891
-    1SOL     H5    5  -0.207511  -0.035483   0.018891
-    1SOL     H6    6  -0.123166   0.031318   0.125392
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006986  -0.026261   0.126031
-    0SOL     H2    2  -0.049686  -0.088261   0.171929
-    0SOL     H3    3  -0.022509   0.059795   0.155809
-    1SOL     O4    4  -0.008040   0.023688  -0.134527
-    1SOL     H5    5   0.071660   0.071544  -0.157333
-    1SOL     H6    6   0.004195  -0.001003  -0.042859
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.134822   0.019286   0.020624
-    0SOL     H2    2   0.178998  -0.052539  -0.024675
-    0SOL     H3    3   0.041687   0.004115   0.004562
-    1SOL     O4    4  -0.125348  -0.015286  -0.013961
-    1SOL     H5    5  -0.208444  -0.056628   0.009454
-    1SOL     H6    6  -0.148062   0.046656  -0.083312
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069192   0.091568   0.077053
-    0SOL     H2    2   0.029039   0.032077   0.013721
-    0SOL     H3    3   0.086976   0.036788   0.153507
-    1SOL     O4    4  -0.062781  -0.081816  -0.075365
-    1SOL     H5    5  -0.155024  -0.056487  -0.078828
-    1SOL     H6    6  -0.060627  -0.169805  -0.112989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039580  -0.029575  -0.129767
-    0SOL     H2    2  -0.007916   0.000925  -0.044741
-    0SOL     H3    3  -0.046677  -0.124539  -0.120077
-    1SOL     O4    4   0.033820   0.030667   0.120876
-    1SOL     H5    5   0.049015   0.121180   0.148057
-    1SOL     H6    6   0.104012  -0.019092   0.162822
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095028   0.044972  -0.088830
-    0SOL     H2    2  -0.018293   0.011499  -0.042421
-    0SOL     H3    3  -0.058939   0.100409  -0.158015
-    1SOL     O4    4   0.083044  -0.048886   0.086298
-    1SOL     H5    5   0.171820  -0.031018   0.055283
-    1SOL     H6    6   0.084824  -0.025301   0.179049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055262  -0.081684  -0.086129
-    0SOL     H2    2   0.142970  -0.116472  -0.102234
-    0SOL     H3    3   0.004930  -0.156937  -0.055048
-    1SOL     O4    4  -0.055211   0.088694   0.091754
-    1SOL     H5    5  -0.135506   0.124639   0.054030
-    1SOL     H6    6  -0.013500   0.041986   0.019360
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033551  -0.071771  -0.106836
-    0SOL     H2    2   0.000731  -0.156057  -0.077124
-    0SOL     H3    3   0.026271  -0.044743  -0.176501
-    1SOL     O4    4   0.031511   0.072855   0.114300
-    1SOL     H5    5   0.016776   0.029186   0.030406
-    1SOL     H6    6  -0.016332   0.155447   0.107095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096053  -0.084040   0.014554
-    0SOL     H2    2  -0.129005  -0.146773  -0.049797
-    0SOL     H3    3  -0.142840  -0.105599   0.095229
-    1SOL     O4    4   0.099543   0.095622  -0.013451
-    1SOL     H5    5   0.047259   0.016307  -0.001705
-    1SOL     H6    6   0.175439   0.067026  -0.064286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105753  -0.081657  -0.036980
-    0SOL     H2    2   0.030715  -0.038619   0.004001
-    0SOL     H3    3   0.109620  -0.167820   0.004534
-    1SOL     O4    4  -0.096977   0.088714   0.031056
-    1SOL     H5    5  -0.169772   0.062524  -0.025312
-    1SOL     H6    6  -0.106061   0.033906   0.109004
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101833   0.041145   0.073587
-    0SOL     H2    2   0.179419   0.050353   0.018288
-    0SOL     H3    3   0.128345  -0.020206   0.142110
-    1SOL     O4    4  -0.108137  -0.044803  -0.076152
-    1SOL     H5    5  -0.041306  -0.001633  -0.022933
-    1SOL     H6    6  -0.171386   0.024270  -0.095920
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043645  -0.007238  -0.132767
-    0SOL     H2    2  -0.039529   0.076550  -0.178865
-    0SOL     H3    3  -0.026335   0.014845  -0.041251
-    1SOL     O4    4   0.043315  -0.001400   0.123880
-    1SOL     H5    5  -0.024191  -0.020955   0.188864
-    1SOL     H6    6   0.096647   0.066927   0.164493
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019858  -0.038955  -0.123455
-    0SOL     H2    2   0.018363  -0.134127  -0.113332
-    0SOL     H3    3   0.068919  -0.024190  -0.204309
-    1SOL     O4    4  -0.023162   0.037436   0.131640
-    1SOL     H5    5  -0.025654   0.127999   0.162535
-    1SOL     H6    6  -0.013710   0.044730   0.036667
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054844  -0.116404   0.024760
-    0SOL     H2    2   0.143004  -0.122479   0.061547
-    0SOL     H3    3   0.049209  -0.189892  -0.036315
-    1SOL     O4    4  -0.056740   0.125004  -0.027981
-    1SOL     H5    5  -0.032062   0.038016   0.003428
-    1SOL     H6    6  -0.135136   0.147295   0.022214
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051694  -0.054155   0.120662
-    0SOL     H2    2  -0.083806  -0.138761   0.089468
-    0SOL     H3    3  -0.038070  -0.002815   0.041032
-    1SOL     O4    4   0.051376   0.053099  -0.107257
-    1SOL     H5    5   0.023301   0.025855  -0.194618
-    1SOL     H6    6   0.104199   0.131478  -0.122381
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.138047   0.029489  -0.028338
-    0SOL     H2    2  -0.056893  -0.020152  -0.017744
-    0SOL     H3    3  -0.115025   0.118838  -0.002861
-    1SOL     O4    4   0.129236  -0.026448   0.022251
-    1SOL     H5    5   0.173789  -0.016673   0.106404
-    1SOL     H6    6   0.128655  -0.120815   0.006222
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018516   0.018647  -0.130847
-    0SOL     H2    2  -0.015444  -0.055596  -0.191187
-    0SOL     H3    3   0.049744   0.077943  -0.162260
-    1SOL     O4    4   0.011984  -0.013234   0.140601
-    1SOL     H5    5   0.077060  -0.080814   0.159583
-    1SOL     H6    6  -0.009375  -0.025780   0.048142
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120772   0.025214  -0.066284
-    0SOL     H2    2   0.203663  -0.013071  -0.037551
-    0SOL     H3    3   0.055450  -0.011524  -0.006739
-    1SOL     O4    4  -0.124105  -0.018671   0.055395
-    1SOL     H5    5  -0.104471  -0.109480   0.078430
-    1SOL     H6    6  -0.104600   0.031001   0.134859
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112852   0.022692  -0.084090
-    0SOL     H2    2   0.040036  -0.006403  -0.029195
-    0SOL     H3    3   0.175024   0.061827  -0.022727
-    1SOL     O4    4  -0.105391  -0.025238   0.079007
-    1SOL     H5    5  -0.138181   0.063538   0.064654
-    1SOL     H6    6  -0.181161  -0.081618   0.063437
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031328  -0.081910   0.112255
-    0SOL     H2    2  -0.019985  -0.025291   0.035914
-    0SOL     H3    3  -0.010609  -0.025835   0.187012
-    1SOL     O4    4   0.024460   0.078966  -0.108552
-    1SOL     H5    5   0.018652   0.054466  -0.200901
-    1SOL     H6    6   0.107723   0.042045  -0.079118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071514  -0.041651  -0.105261
-    0SOL     H2    2   0.060672  -0.136522  -0.111912
-    0SOL     H3    3   0.158028  -0.024710  -0.142552
-    1SOL     O4    4  -0.078680   0.040646   0.110524
-    1SOL     H5    5  -0.086144   0.130851   0.141662
-    1SOL     H6    6  -0.024654   0.046842   0.031752
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042089   0.123107   0.027611
-    0SOL     H2    2   0.125261   0.128841   0.074641
-    0SOL     H3    3   0.019345   0.213974   0.007908
-    1SOL     O4    4  -0.044594  -0.130027  -0.035705
-    1SOL     H5    5  -0.071299  -0.193261   0.031008
-    1SOL     H6    6  -0.043247  -0.045974   0.010071
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093567  -0.068271   0.073690
-    0SOL     H2    2  -0.184046  -0.037153   0.076444
-    0SOL     H3    3  -0.095288  -0.141661   0.012264
-    1SOL     O4    4   0.104635   0.072409  -0.067606
-    1SOL     H5    5   0.081249   0.067949  -0.160318
-    1SOL     H6    6   0.024654   0.047223  -0.021443
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022013   0.035696   0.137702
-    0SOL     H2    2  -0.012509  -0.009928   0.060962
-    0SOL     H3    3   0.023372  -0.030789   0.206552
-    1SOL     O4    4  -0.013526  -0.029205  -0.136853
-    1SOL     H5    5  -0.068432   0.049051  -0.141733
-    1SOL     H6    6  -0.075582  -0.102084  -0.136616
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042305  -0.088749   0.097145
-    0SOL     H2    2  -0.033360  -0.045060   0.181842
-    0SOL     H3    3   0.018186  -0.162785   0.101824
-    1SOL     O4    4   0.041168   0.087677  -0.107433
-    1SOL     H5    5   0.025152   0.180702  -0.091555
-    1SOL     H6    6   0.008423   0.043931  -0.028843
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098887  -0.063421   0.075040
-    0SOL     H2    2  -0.159020  -0.095553   0.007855
-    0SOL     H3    3  -0.146182   0.008288   0.117269
-    1SOL     O4    4   0.106981   0.067896  -0.072271
-    1SOL     H5    5   0.048702   0.012810  -0.020009
-    1SOL     H6    6   0.129628   0.013838  -0.147950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059889   0.027342  -0.123260
-    0SOL     H2    2  -0.083005   0.119782  -0.132361
-    0SOL     H3    3  -0.141612  -0.015426  -0.097677
-    1SOL     O4    4   0.073181  -0.030733   0.124377
-    1SOL     H5    5   0.038295  -0.008750   0.037994
-    1SOL     H6    6  -0.004324  -0.047205   0.178079
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123158  -0.060360   0.025051
-    0SOL     H2    2   0.214206  -0.033994   0.011730
-    0SOL     H3    3   0.098910  -0.104800  -0.056186
-    1SOL     O4    4  -0.130026   0.058458  -0.024672
-    1SOL     H5    5  -0.158921   0.137634   0.020698
-    1SOL     H6    6  -0.050054   0.032435   0.021040
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089542  -0.115003  -0.002651
-    0SOL     H2    2  -0.040363  -0.033236   0.004962
-    0SOL     H3    3  -0.175302  -0.088426  -0.035836
-    1SOL     O4    4   0.085490   0.109657   0.005312
-    1SOL     H5    5   0.129710   0.129334  -0.077270
-    1SOL     H6    6   0.155217   0.078582   0.063060
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140282  -0.040420  -0.017888
-    0SOL     H2    2   0.130043  -0.134917  -0.006585
-    0SOL     H3    3   0.053576  -0.004471   0.000876
-    1SOL     O4    4  -0.133446   0.040653   0.022971
-    1SOL     H5    5  -0.116063   0.130109  -0.006316
-    1SOL     H6    6  -0.172978  -0.002199  -0.052945
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134341  -0.054236  -0.030921
-    0SOL     H2    2  -0.043034  -0.032857  -0.011728
-    0SOL     H3    3  -0.182385   0.026306  -0.011760
-    1SOL     O4    4   0.126890   0.044578   0.031767
-    1SOL     H5    5   0.184815   0.009217  -0.035735
-    1SOL     H6    6   0.154056   0.135866   0.041289
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094920  -0.082288  -0.067149
-    0SOL     H2    2  -0.080587  -0.043134  -0.153310
-    0SOL     H3    3  -0.036624  -0.158186  -0.065279
-    1SOL     O4    4   0.094592   0.082150   0.077474
-    1SOL     H5    5   0.014625   0.042628   0.042751
-    1SOL     H6    6   0.109173   0.159109   0.022456
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033085  -0.124623   0.072049
-    0SOL     H2    2   0.001627  -0.043524   0.034895
-    0SOL     H3    3  -0.091335  -0.159037   0.004336
-    1SOL     O4    4   0.038154   0.118419  -0.062567
-    1SOL     H5    5   0.003519   0.099991  -0.149878
-    1SOL     H6    6   0.006741   0.206560  -0.042399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004015  -0.123876  -0.067069
-    0SOL     H2    2  -0.068301  -0.186521  -0.064194
-    0SOL     H3    3  -0.006065  -0.079433  -0.151245
-    1SOL     O4    4  -0.002817   0.130615   0.069958
-    1SOL     H5    5   0.077895   0.122224   0.120728
-    1SOL     H6    6  -0.025567   0.040770   0.046031
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043855   0.078665   0.117303
-    0SOL     H2    2  -0.026075   0.020141   0.043675
-    0SOL     H3    3  -0.098259   0.148114   0.080163
-    1SOL     O4    4   0.042122  -0.077433  -0.104941
-    1SOL     H5    5   0.100930  -0.024911  -0.159212
-    1SOL     H6    6   0.044220  -0.164517  -0.144618
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.141080  -0.043483   0.008129
-    0SOL     H2    2   0.131597  -0.125025   0.057355
-    0SOL     H3    3   0.057757  -0.033404  -0.037894
-    1SOL     O4    4  -0.132154   0.048051  -0.002018
-    1SOL     H5    5  -0.158469  -0.033058  -0.045506
-    1SOL     H6    6  -0.165112   0.117588  -0.058945
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054301  -0.100637   0.077226
-    0SOL     H2    2  -0.066714  -0.165729   0.008151
-    0SOL     H3    3  -0.091260  -0.141410   0.155545
-    1SOL     O4    4   0.055813   0.113191  -0.076335
-    1SOL     H5    5   0.132047   0.078357  -0.122566
-    1SOL     H6    6   0.003157   0.036057  -0.055357
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078538  -0.084927   0.083589
-    0SOL     H2    2   0.085212  -0.057688   0.175109
-    0SOL     H3    3  -0.002639  -0.135480   0.079454
-    1SOL     O4    4  -0.081298   0.087079  -0.086666
-    1SOL     H5    5  -0.033729   0.127146  -0.159426
-    1SOL     H6    6  -0.015819   0.033670  -0.041696
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059242   0.133088   0.004808
-    0SOL     H2    2   0.010272   0.059418  -0.031754
-    0SOL     H3    3   0.091195   0.180982  -0.071661
-    1SOL     O4    4  -0.054682  -0.127889   0.005881
-    1SOL     H5    5  -0.025931  -0.186494  -0.064127
-    1SOL     H6    6  -0.150203  -0.133896   0.004495
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025988  -0.037990  -0.143320
-    0SOL     H2    2   0.056423  -0.037740  -0.094630
-    0SOL     H3    3  -0.082238   0.023014  -0.095606
-    1SOL     O4    4   0.030969   0.036302   0.140471
-    1SOL     H5    5  -0.023200   0.086737   0.079773
-    1SOL     H6    6  -0.022624  -0.039757   0.162946
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082504  -0.097971   0.061901
-    0SOL     H2    2  -0.047917  -0.124760   0.147039
-    0SOL     H3    3  -0.152673  -0.036320   0.082824
-    1SOL     O4    4   0.084253   0.100107  -0.073924
-    1SOL     H5    5   0.027240   0.026774  -0.050812
-    1SOL     H6    6   0.147823   0.104520  -0.002499
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107033   0.070666   0.076813
-    0SOL     H2    2  -0.036475   0.020818   0.035593
-    0SOL     H3    3  -0.066776   0.109500   0.154489
-    1SOL     O4    4   0.097970  -0.064848  -0.074504
-    1SOL     H5    5   0.056500  -0.145720  -0.104544
-    1SOL     H6    6   0.185714  -0.067256  -0.112683
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084365   0.044761  -0.115817
-    0SOL     H2    2  -0.025262   0.050391  -0.190901
-    0SOL     H3    3  -0.029264   0.013135  -0.044221
-    1SOL     O4    4   0.072115  -0.039904   0.115486
-    1SOL     H5    5   0.159983  -0.001941   0.116095
-    1SOL     H6    6   0.086592  -0.134070   0.124744
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116236  -0.084444   0.011921
-    0SOL     H2    2  -0.177537  -0.024224   0.054088
-    0SOL     H3    3  -0.145240  -0.088300  -0.079217
-    1SOL     O4    4   0.123723   0.085153  -0.004263
-    1SOL     H5    5   0.159713   0.077311  -0.092611
-    1SOL     H6    6   0.049454   0.024776  -0.003157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025948  -0.097828  -0.111434
-    0SOL     H2    2   0.055840  -0.115866  -0.157779
-    0SOL     H3    3   0.001381  -0.055019  -0.030300
-    1SOL     O4    4   0.019209   0.089292   0.108139
-    1SOL     H5    5   0.089426   0.150109   0.085050
-    1SOL     H6    6  -0.048159   0.144417   0.147953
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034904  -0.135134   0.023942
-    0SOL     H2    2   0.026108  -0.183312  -0.031904
-    0SOL     H3    3  -0.108132  -0.195370   0.037040
-    1SOL     O4    4   0.036679   0.147240  -0.018444
-    1SOL     H5    5  -0.007733   0.069816   0.016132
-    1SOL     H6    6   0.065078   0.121456  -0.106142
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033479  -0.139407   0.033177
-    0SOL     H2    2   0.111544  -0.145475  -0.021881
-    0SOL     H3    3  -0.036097  -0.178864  -0.019402
-    1SOL     O4    4  -0.034951   0.146968  -0.021848
-    1SOL     H5    5  -0.054327   0.153281  -0.115374
-    1SOL     H6    6   0.001916   0.059321  -0.010840
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120090  -0.079815   0.019714
-    0SOL     H2    2   0.174132  -0.050796   0.093197
-    0SOL     H3    3   0.165150  -0.046446  -0.057864
-    1SOL     O4    4  -0.123190   0.082065  -0.017559
-    1SOL     H5    5  -0.085275  -0.005439  -0.009327
-    1SOL     H6    6  -0.208444   0.067518  -0.058578
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.005184  -0.078909  -0.126068
-    0SOL     H2    2   0.039164   0.001413  -0.165514
-    0SOL     H3    3   0.083260  -0.129671  -0.103939
-    1SOL     O4    4  -0.007478   0.076718   0.132162
-    1SOL     H5    5  -0.068191   0.146453   0.107396
-    1SOL     H6    6  -0.020626   0.008826   0.065981
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045172   0.146444   0.005059
-    0SOL     H2    2   0.019498   0.054467  -0.001523
-    0SOL     H3    3  -0.037491   0.194654   0.002819
-    1SOL     O4    4  -0.041243  -0.137631  -0.005257
-    1SOL     H5    5  -0.021552  -0.200394  -0.074794
-    1SOL     H6    6  -0.018047  -0.183326   0.075590
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092911  -0.028916   0.119438
-    0SOL     H2    2   0.047821   0.004912   0.042076
-    0SOL     H3    3   0.115689  -0.119003   0.096464
-    1SOL     O4    4  -0.088307   0.026341  -0.117217
-    1SOL     H5    5  -0.074412   0.120260  -0.129407
-    1SOL     H6    6  -0.156675   0.020661  -0.050465
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016223   0.017942  -0.151089
-    0SOL     H2    2  -0.015415  -0.053776  -0.206024
-    0SOL     H3    3  -0.005003  -0.009092  -0.061753
-    1SOL     O4    4  -0.014955  -0.005442   0.145986
-    1SOL     H5    5  -0.072014  -0.077419   0.172930
-    1SOL     H6    6   0.073450  -0.035999   0.166315
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117233   0.068487   0.055481
-    0SOL     H2    2   0.116643   0.153826   0.098830
-    0SOL     H3    3   0.162247   0.010619   0.117023
-    1SOL     O4    4  -0.119781  -0.074112  -0.067385
-    1SOL     H5    5  -0.045784  -0.026612  -0.029563
-    1SOL     H6    6  -0.193812  -0.052200  -0.010803
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092742  -0.088675   0.089135
-    0SOL     H2    2  -0.090504  -0.037051   0.169710
-    0SOL     H3    3  -0.061374  -0.028779   0.021379
-    1SOL     O4    4   0.093341   0.080408  -0.084318
-    1SOL     H5    5   0.041204   0.158259  -0.103895
-    1SOL     H6    6   0.101060   0.034973  -0.168213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084229   0.043020  -0.120789
-    0SOL     H2    2   0.015585  -0.015824  -0.089363
-    0SOL     H3    3   0.124207  -0.003740  -0.194120
-    1SOL     O4    4  -0.082194  -0.031091   0.120813
-    1SOL     H5    5  -0.015319  -0.083683   0.164677
-    1SOL     H6    6  -0.159196  -0.087868   0.117765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021250   0.059504  -0.142280
-    0SOL     H2    2   0.067482   0.023603  -0.141934
-    0SOL     H3    3  -0.078051  -0.016989  -0.151495
-    1SOL     O4    4   0.013963  -0.056505   0.144875
-    1SOL     H5    5   0.099624  -0.048850   0.186898
-    1SOL     H6    6   0.019928  -0.000092   0.067776
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095534   0.109211   0.066863
-    0SOL     H2    2  -0.047494   0.046199   0.013161
-    0SOL     H3    3  -0.070410   0.194675   0.031835
-    1SOL     O4    4   0.091222  -0.107575  -0.055800
-    1SOL     H5    5   0.054879  -0.192942  -0.079337
-    1SOL     H6    6   0.124091  -0.071906  -0.138320
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010269  -0.139699  -0.082494
-    0SOL     H2    2   0.046297  -0.167696   0.001652
-    0SOL     H3    3  -0.017428  -0.049253  -0.067841
-    1SOL     O4    4  -0.015410   0.139791   0.072308
-    1SOL     H5    5   0.079025   0.126930   0.063423
-    1SOL     H6    6  -0.038734   0.092112   0.151964
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.087301  -0.120184   0.052541
-    0SOL     H2    2  -0.040548  -0.202681   0.039478
-    0SOL     H3    3  -0.068934  -0.096317   0.143400
-    1SOL     O4    4   0.080632   0.120678  -0.062400
-    1SOL     H5    5   0.042040   0.124608   0.025107
-    1SOL     H6    6   0.164604   0.165783  -0.053643
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.141993   0.056654   0.056795
-    0SOL     H2    2  -0.135328   0.112542   0.134219
-    0SOL     H3    3  -0.052088   0.049137   0.024812
-    1SOL     O4    4   0.134208  -0.057872  -0.053632
-    1SOL     H5    5   0.221695  -0.035638  -0.085475
-    1SOL     H6    6   0.093987  -0.106248  -0.125773
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079220  -0.107504   0.080671
-    0SOL     H2    2  -0.163364  -0.136039   0.045062
-    0SOL     H3    3  -0.096845  -0.090504   0.173206
-    1SOL     O4    4   0.086926   0.109073  -0.090108
-    1SOL     H5    5   0.098906   0.167770  -0.015452
-    1SOL     H6    6   0.042285   0.032658  -0.053634
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031186  -0.161076  -0.017734
-    0SOL     H2    2   0.007114  -0.087031   0.037946
-    0SOL     H3    3   0.104925  -0.202105   0.027449
-    1SOL     O4    4  -0.038904   0.155279   0.008315
-    1SOL     H5    5   0.037699   0.126088   0.057734
-    1SOL     H6    6  -0.036157   0.250791   0.013992
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.023073  -0.161989   0.020398
-    0SOL     H2    2   0.047976  -0.168746   0.084185
-    0SOL     H3    3  -0.091004  -0.111742   0.065374
-    1SOL     O4    4   0.019577   0.158867  -0.021019
-    1SOL     H5    5  -0.003100   0.216527  -0.093981
-    1SOL     H6    6   0.099570   0.114604  -0.049377
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079686  -0.061131  -0.126973
-    0SOL     H2    2  -0.130514  -0.109143  -0.061599
-    0SOL     H3    3  -0.144257  -0.007378  -0.172838
-    1SOL     O4    4   0.085962   0.066871   0.126201
-    1SOL     H5    5   0.145155   0.005686   0.169961
-    1SOL     H6    6   0.024980   0.010976   0.078043
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.091577  -0.045964   0.129725
-    0SOL     H2    2   0.138681   0.030587   0.162641
-    0SOL     H3    3   0.152930  -0.087735   0.069281
-    1SOL     O4    4  -0.095192   0.049602  -0.125473
-    1SOL     H5    5  -0.054307  -0.036873  -0.129065
-    1SOL     H6    6  -0.180268   0.037696  -0.167693
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004241  -0.073872   0.157827
-    0SOL     H2    2  -0.030025   0.008972   0.117399
-    0SOL     H3    3   0.066143  -0.106933   0.102011
-    1SOL     O4    4   0.005079   0.068636  -0.148226
-    1SOL     H5    5  -0.041482   0.029231  -0.221993
-    1SOL     H6    6  -0.018824   0.161266  -0.151479
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045747  -0.159810   0.062081
-    0SOL     H2    2  -0.016721  -0.218685  -0.007587
-    0SOL     H3    3  -0.108391  -0.101289   0.019499
-    1SOL     O4    4   0.042408   0.162911  -0.057474
-    1SOL     H5    5   0.057182   0.133083   0.032271
-    1SOL     H6    6   0.122594   0.139306  -0.104116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077987   0.124326  -0.109312
-    0SOL     H2    2  -0.004734   0.161217  -0.078350
-    0SOL     H3    3   0.083722   0.038935  -0.066441
-    1SOL     O4    4  -0.067105  -0.120806   0.104703
-    1SOL     H5    5  -0.127814  -0.064838   0.153121
-    1SOL     H6    6  -0.122629  -0.188285   0.065640
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059491   0.095334   0.143285
-    0SOL     H2    2  -0.091929   0.046157   0.067841
-    0SOL     H3    3  -0.134275   0.147951   0.171591
-    1SOL     O4    4   0.064496  -0.101774  -0.141313
-    1SOL     H5    5   0.120166  -0.055848  -0.078432
-    1SOL     H6    6   0.025650  -0.032161  -0.194297
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127028   0.140591   0.000728
-    0SOL     H2    2  -0.114349   0.076923  -0.069614
-    0SOL     H3    3  -0.039732   0.176494   0.016622
-    1SOL     O4    4   0.127293  -0.140355   0.006000
-    1SOL     H5    5   0.116920  -0.084935  -0.071352
-    1SOL     H6    6   0.039968  -0.176293   0.021659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028613   0.195591   0.058074
-    0SOL     H2    2  -0.063273   0.277693   0.023141
-    0SOL     H3    3   0.056940   0.185931   0.016245
-    1SOL     O4    4   0.022727  -0.193855  -0.055840
-    1SOL     H5    5   0.090509  -0.242452  -0.102810
-    1SOL     H6    6   0.008214  -0.244233   0.024246
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057525  -0.002359   0.209201
-    0SOL     H2    2  -0.135273   0.052562   0.219257
-    0SOL     H3    3  -0.068503  -0.044082   0.123755
-    1SOL     O4    4   0.056961   0.002586  -0.200519
-    1SOL     H5    5   0.069338  -0.052361  -0.277913
-    1SOL     H6    6   0.141606   0.045403  -0.187699
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-Generated by ForceBalance from calcs/cluster-02/VLE/280K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009579  -0.004818  -0.217523
-    0SOL     H2    2  -0.091584   0.000733  -0.266580
-    0SOL     H3    3   0.040235  -0.073559  -0.261745
-    1SOL     O4    4   0.016950   0.011390   0.224922
-    1SOL     H5    5  -0.069867   0.027206   0.262004
-    1SOL     H6    6   0.002198  -0.053494   0.156112
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057559  -0.160667   0.143004
-    0SOL     H2    2   0.077233  -0.155284   0.236526
-    0SOL     H3    3   0.064509  -0.253872   0.122344
-    1SOL     O4    4  -0.060205   0.158699  -0.148387
-    1SOL     H5    5  -0.014387   0.200993  -0.075762
-    1SOL     H6    6  -0.088312   0.231040  -0.204414
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045409   0.236734  -0.036626
-    0SOL     H2    2  -0.013973   0.163644  -0.053767
-    0SOL     H3    3   0.127303   0.211652  -0.079365
-    1SOL     O4    4  -0.044426  -0.228245   0.035242
-    1SOL     H5    5  -0.135848  -0.253447   0.048255
-    1SOL     H6    6  -0.000604  -0.254222   0.116280
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.008976   0.052329  -0.243899
-    0SOL     H2    2  -0.070413  -0.018225  -0.223651
-    0SOL     H3    3   0.027970   0.077044  -0.159126
-    1SOL     O4    4   0.014348  -0.044286   0.238213
-    1SOL     H5    5  -0.021507  -0.092534   0.163722
-    1SOL     H6    6  -0.018726  -0.090768   0.315076
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011008   0.248267  -0.029932
-    0SOL     H2    2   0.084773   0.279871  -0.082107
-    0SOL     H3    3  -0.041475   0.196825  -0.091263
-    1SOL     O4    4  -0.009009  -0.241818   0.038983
-    1SOL     H5    5  -0.091525  -0.246245  -0.009326
-    1SOL     H6    6   0.027437  -0.330080   0.032372
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.160538   0.026280   0.246124
-    0SOL     H2    2  -0.100055  -0.010466   0.310575
-    0SOL     H3    3  -0.141642  -0.021626   0.165437
-    1SOL     O4    4   0.157635  -0.020155  -0.238527
-    1SOL     H5    5   0.216271  -0.034625  -0.312789
-    1SOL     H6    6   0.069724  -0.024700  -0.276120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055272  -0.320140   0.121320
-    0SOL     H2    2   0.023242  -0.329814   0.031638
-    0SOL     H3    3   0.060770  -0.225529   0.134765
-    1SOL     O4    4  -0.055600   0.308449  -0.118080
-    1SOL     H5    5  -0.093038   0.388112  -0.155689
-    1SOL     H6    6   0.012751   0.339716  -0.058811
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027152   0.079021   0.347765
-    0SOL     H2    2   0.045499   0.126575   0.307480
-    0SOL     H3    3  -0.094854   0.145376   0.361020
-    1SOL     O4    4   0.023759  -0.088303  -0.350713
-    1SOL     H5    5   0.118294  -0.073417  -0.348778
-    1SOL     H6    6  -0.008720  -0.046744  -0.270836
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123691   0.371500   0.005149
-    0SOL     H2    2   0.148906   0.419942   0.083762
-    0SOL     H3    3   0.176910   0.409667  -0.064661
-    1SOL     O4    4  -0.128129  -0.377670  -0.012525
-    1SOL     H5    5  -0.056015  -0.384562   0.050040
-    1SOL     H6    6  -0.202365  -0.347235   0.039677
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094858   0.400511  -0.066741
-    0SOL     H2    2   0.016249   0.346472  -0.074664
-    0SOL     H3    3   0.132260   0.376196   0.017948
-    1SOL     O4    4  -0.090711  -0.400789   0.066556
-    1SOL     H5    5  -0.039840  -0.361556  -0.004403
-    1SOL     H6    6  -0.174499  -0.354558   0.064422
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054721   0.081434  -0.418168
-    0SOL     H2    2  -0.117559   0.074131  -0.490004
-    0SOL     H3    3  -0.001871   0.001865  -0.424331
-    1SOL     O4    4   0.059973  -0.078945   0.426381
-    1SOL     H5    5   0.067307  -0.053224   0.334473
-    1SOL     H6    6  -0.030242  -0.057545   0.450164
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034285  -0.341784  -0.275879
-    0SOL     H2    2  -0.061721  -0.254987  -0.305473
-    0SOL     H3    3  -0.095085  -0.363359  -0.205167
-    1SOL     O4    4   0.035590   0.337419   0.268061
-    1SOL     H5    5   0.022978   0.393571   0.344549
-    1SOL     H6    6   0.116028   0.289040   0.286808
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011858  -0.269957  -0.422147
-    0SOL     H2    2  -0.035343  -0.254373  -0.513624
-    0SOL     H3    3   0.036233  -0.191433  -0.396004
-    1SOL     O4    4   0.008063   0.259408   0.429180
-    1SOL     H5    5   0.101359   0.274345   0.413848
-    1SOL     H6    6  -0.034997   0.336367   0.391958
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120299  -0.626230   0.258391
-    0SOL     H2    2   0.155623  -0.612006   0.170572
-    0SOL     H3    3   0.070576  -0.707719   0.251350
-    1SOL     O4    4  -0.123434   0.627719  -0.258541
-    1SOL     H5    5  -0.030597   0.611411  -0.241875
-    1SOL     H6    6  -0.151974   0.681553  -0.184719
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119723  -0.032724   0.007692
-    0SOL     H2    2  -0.153125  -0.038309  -0.081837
-    0SOL     H3    3  -0.173130   0.035099   0.049045
-    1SOL     O4    4   0.128411   0.033329  -0.008692
-    1SOL     H5    5   0.168077  -0.035754   0.044378
-    1SOL     H6    6   0.034287   0.023662   0.005790
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094596   0.085895   0.011857
-    0SOL     H2    2  -0.169746   0.056055  -0.039371
-    0SOL     H3    3  -0.067179   0.167075  -0.030807
-    1SOL     O4    4   0.100694  -0.090667  -0.011731
-    1SOL     H5    5   0.114967  -0.125961   0.076092
-    1SOL     H6    6   0.029691  -0.027390  -0.000918
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024113   0.123327   0.023556
-    0SOL     H2    2  -0.106071   0.172588   0.019251
-    0SOL     H3    3   0.037711   0.175042  -0.028073
-    1SOL     O4    4   0.024890  -0.133407  -0.025515
-    1SOL     H5    5   0.051731  -0.149690   0.064910
-    1SOL     H6    6   0.001430  -0.040622  -0.027247
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057703  -0.075620  -0.085143
-    0SOL     H2    2  -0.112539  -0.062870  -0.162556
-    0SOL     H3    3  -0.004090  -0.152113  -0.106043
-    1SOL     O4    4   0.057422   0.086237   0.092109
-    1SOL     H5    5   0.117538   0.024306   0.133497
-    1SOL     H6    6   0.003498   0.032321   0.034251
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102327  -0.075400  -0.055798
-    0SOL     H2    2  -0.055179  -0.107095  -0.132836
-    0SOL     H3    3  -0.035342  -0.032299  -0.002717
-    1SOL     O4    4   0.095893   0.068951   0.053200
-    1SOL     H5    5   0.087515   0.160234   0.025640
-    1SOL     H6    6   0.102842   0.073218   0.148572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043944  -0.125007  -0.032447
-    0SOL     H2    2   0.014687  -0.034083  -0.038711
-    0SOL     H3    3   0.082663  -0.143705  -0.117966
-    1SOL     O4    4  -0.041485   0.116527   0.040669
-    1SOL     H5    5  -0.131871   0.145220   0.053686
-    1SOL     H6    6  -0.008176   0.173024  -0.029051
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072531   0.066221  -0.084099
-    0SOL     H2    2   0.080135   0.075327  -0.179081
-    0SOL     H3    3   0.161654   0.078905  -0.051563
-    1SOL     O4    4  -0.078579  -0.064338   0.093136
-    1SOL     H5    5  -0.111098  -0.151325   0.069942
-    1SOL     H6    6  -0.029239  -0.035863   0.016213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046290  -0.123051   0.000274
-    0SOL     H2    2   0.140232  -0.120971   0.018518
-    0SOL     H3    3   0.039455  -0.164534  -0.085719
-    1SOL     O4    4  -0.057210   0.127731   0.005903
-    1SOL     H5    5   0.017203   0.176267  -0.029726
-    1SOL     H6    6  -0.032397   0.035726  -0.003133
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075448  -0.095560  -0.054994
-    0SOL     H2    2  -0.001583  -0.121944  -0.105318
-    0SOL     H3    3   0.095449  -0.171439  -0.000179
-    1SOL     O4    4  -0.075048   0.100266   0.060332
-    1SOL     H5    5  -0.067629   0.185743   0.017893
-    1SOL     H6    6  -0.028629   0.040342   0.001880
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019363   0.061338  -0.115083
-    0SOL     H2    2   0.033751   0.004802  -0.171163
-    0SOL     H3    3  -0.100941   0.073509  -0.163655
-    1SOL     O4    4   0.017987  -0.062795   0.125978
-    1SOL     H5    5  -0.018731  -0.026678   0.045295
-    1SOL     H6    6   0.107843  -0.029888   0.128287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113900   0.048171  -0.050837
-    0SOL     H2    2   0.142277   0.053275   0.040437
-    0SOL     H3    3   0.139512   0.132284  -0.088671
-    1SOL     O4    4  -0.118737  -0.059266   0.044420
-    1SOL     H5    5  -0.040248  -0.005695   0.032935
-    1SOL     H6    6  -0.172344  -0.010241   0.106750
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018208  -0.045853  -0.130905
-    0SOL     H2    2   0.029139  -0.028511  -0.037406
-    0SOL     H3    3   0.040795  -0.138324  -0.140963
-    1SOL     O4    4  -0.019064   0.047586   0.120339
-    1SOL     H5    5  -0.055257   0.003146   0.197003
-    1SOL     H6    6  -0.002292   0.136996   0.150121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029120  -0.102791   0.079523
-    0SOL     H2    2  -0.119563  -0.133572   0.073610
-    0SOL     H3    3   0.023530  -0.182727   0.078813
-    1SOL     O4    4   0.029202   0.114063  -0.082854
-    1SOL     H5    5  -0.027013   0.044868  -0.048007
-    1SOL     H6    6   0.116812   0.092018  -0.051220
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052283   0.037282  -0.118634
-    0SOL     H2    2  -0.122238   0.102474  -0.122947
-    0SOL     H3    3  -0.096009  -0.046037  -0.136191
-    1SOL     O4    4   0.059039  -0.043355   0.122085
-    1SOL     H5    5   0.058045  -0.006651   0.033688
-    1SOL     H6    6   0.054095   0.032867   0.179776
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103443  -0.079668   0.035869
-    0SOL     H2    2  -0.180888  -0.024954   0.048949
-    0SOL     H3    3  -0.121602  -0.128101  -0.044671
-    1SOL     O4    4   0.108795   0.083829  -0.035814
-    1SOL     H5    5   0.187133   0.058865   0.013199
-    1SOL     H6    6   0.042072   0.021089  -0.007993
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053114   0.082999  -0.094826
-    0SOL     H2    2  -0.147450   0.097401  -0.087370
-    0SOL     H3    3  -0.045025   0.004620  -0.149174
-    1SOL     O4    4   0.059242  -0.086223   0.096484
-    1SOL     H5    5   0.100707  -0.034346   0.165417
-    1SOL     H6    6   0.005756  -0.023353   0.048019
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128044   0.064096   0.019437
-    0SOL     H2    2  -0.094167   0.126565  -0.044690
-    0SOL     H3    3  -0.063113  -0.006215   0.021067
-    1SOL     O4    4   0.123810  -0.057405  -0.017071
-    1SOL     H5    5   0.141006  -0.102590   0.065542
-    1SOL     H6    6   0.085101  -0.124377  -0.073450
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055665   0.129495   0.024672
-    0SOL     H2    2  -0.061637   0.185685  -0.052590
-    0SOL     H3    3  -0.030937   0.043724  -0.009886
-    1SOL     O4    4   0.048846  -0.126481  -0.020557
-    1SOL     H5    5   0.083202  -0.117870   0.068369
-    1SOL     H6    6   0.122847  -0.158998  -0.071830
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040197  -0.004982   0.129716
-    0SOL     H2    2  -0.009293   0.067322   0.168253
-    0SOL     H3    3   0.098900  -0.033822   0.199606
-    1SOL     O4    4  -0.037870   0.000993  -0.141838
-    1SOL     H5    5  -0.125454   0.037175  -0.128342
-    1SOL     H6    6  -0.001548  -0.007457  -0.053681
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042906  -0.110268  -0.076883
-    0SOL     H2    2  -0.133646  -0.088714  -0.055343
-    0SOL     H3    3  -0.031488  -0.079065  -0.166651
-    1SOL     O4    4   0.045265   0.114171   0.078087
-    1SOL     H5    5   0.047397   0.081434   0.168009
-    1SOL     H6    6   0.071314   0.039171   0.024619
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032462   0.132920  -0.013867
-    0SOL     H2    2  -0.038900   0.191952  -0.038054
-    0SOL     H3    3   0.097635   0.144461  -0.083016
-    1SOL     O4    4  -0.031694  -0.139836   0.026137
-    1SOL     H5    5  -0.031452  -0.189312  -0.055804
-    1SOL     H6    6  -0.033536  -0.048124  -0.001211
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123885   0.063722  -0.022696
-    0SOL     H2    2   0.187489   0.011222   0.025891
-    0SOL     H3    3   0.104888   0.137772   0.034907
-    1SOL     O4    4  -0.130063  -0.069974   0.012989
-    1SOL     H5    5  -0.036387  -0.050306   0.013455
-    1SOL     H6    6  -0.169037  -0.002461   0.068535
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121857   0.045511  -0.067895
-    0SOL     H2    2   0.124256   0.139919  -0.083509
-    0SOL     H3    3   0.042686   0.031795  -0.015874
-    1SOL     O4    4  -0.117431  -0.044276   0.061725
-    1SOL     H5    5  -0.146516  -0.132135   0.037290
-    1SOL     H6    6  -0.092133  -0.052087   0.153710
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105739   0.090083   0.022363
-    0SOL     H2    2   0.167821   0.046771  -0.036222
-    0SOL     H3    3   0.144213   0.080435   0.109478
-    1SOL     O4    4  -0.112942  -0.086002  -0.030414
-    1SOL     H5    5  -0.060342  -0.029190   0.025870
-    1SOL     H6    6  -0.151575  -0.149949   0.029424
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112383  -0.002665  -0.094552
-    0SOL     H2    2  -0.030972   0.012679  -0.046604
-    0SOL     H3    3  -0.095658   0.032337  -0.182059
-    1SOL     O4    4   0.102794  -0.001703   0.091943
-    1SOL     H5    5   0.197497   0.011830   0.088697
-    1SOL     H6    6   0.079546   0.013219   0.183590
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120915  -0.032720  -0.065007
-    0SOL     H2    2   0.110352  -0.125892  -0.045776
-    0SOL     H3    3   0.127459  -0.028498  -0.160410
-    1SOL     O4    4  -0.123076   0.037073   0.076444
-    1SOL     H5    5  -0.043571   0.003485   0.035054
-    1SOL     H6    6  -0.165178   0.089631   0.008419
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080697  -0.063899   0.106950
-    0SOL     H2    2   0.049307  -0.154220   0.111320
-    0SOL     H3    3   0.049140  -0.031581   0.022558
-    1SOL     O4    4  -0.072073   0.063155  -0.104769
-    1SOL     H5    5  -0.087414   0.155723  -0.123697
-    1SOL     H6    6  -0.141738   0.039298  -0.043615
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.064128   0.032942  -0.123069
-    0SOL     H2    2   0.143224  -0.010778  -0.091529
-    0SOL     H3    3   0.088667   0.125239  -0.129501
-    1SOL     O4    4  -0.072710  -0.041919   0.124269
-    1SOL     H5    5  -0.040552  -0.026370   0.035463
-    1SOL     H6    6  -0.067176   0.043506   0.167097
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066794  -0.077887  -0.105659
-    0SOL     H2    2  -0.001494  -0.022651  -0.062680
-    0SOL     H3    3  -0.018461  -0.122508  -0.175195
-    1SOL     O4    4   0.059189   0.078952   0.100967
-    1SOL     H5    5   0.004397   0.108682   0.173604
-    1SOL     H6    6   0.124258   0.021846   0.141799
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049621  -0.130643   0.031850
-    0SOL     H2    2  -0.084508  -0.147155  -0.055743
-    0SOL     H3    3  -0.126995  -0.114570   0.085862
-    1SOL     O4    4   0.062376   0.131359  -0.032658
-    1SOL     H5    5   0.026104   0.054877   0.012032
-    1SOL     H6    6  -0.007790   0.196400  -0.029698
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.100486  -0.103326  -0.044111
-    0SOL     H2    2   0.147166  -0.021406  -0.060613
-    0SOL     H3    3   0.008373  -0.081839  -0.058805
-    1SOL     O4    4  -0.091478   0.098886   0.047712
-    1SOL     H5    5  -0.154285   0.142390  -0.009951
-    1SOL     H6    6  -0.137258   0.020607   0.078355
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128466  -0.047672   0.028481
-    0SOL     H2    2   0.139715  -0.138076   0.057854
-    0SOL     H3    3   0.189235   0.002848   0.082492
-    1SOL     O4    4  -0.137995   0.048031  -0.028907
-    1SOL     H5    5  -0.045726   0.022949  -0.024480
-    1SOL     H6    6  -0.143954   0.104035  -0.106304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006370  -0.117155   0.094327
-    0SOL     H2    2  -0.032476  -0.182638   0.036317
-    0SOL     H3    3   0.015600  -0.039124   0.039663
-    1SOL     O4    4  -0.002432   0.110470  -0.088028
-    1SOL     H5    5   0.048290   0.190903  -0.077060
-    1SOL     H6    6  -0.093550   0.139695  -0.090412
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026626  -0.144726   0.034524
-    0SOL     H2    2   0.058185  -0.184292   0.014424
-    0SOL     H3    3  -0.005054  -0.058615   0.070328
-    1SOL     O4    4   0.023812   0.144166  -0.029919
-    1SOL     H5    5   0.055424   0.125090  -0.118232
-    1SOL     H6    6  -0.070106   0.126049  -0.033612
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030728   0.127598   0.059760
-    0SOL     H2    2   0.080565   0.186798   0.003422
-    0SOL     H3    3  -0.047752   0.177145   0.083174
-    1SOL     O4    4  -0.031584  -0.136585  -0.063560
-    1SOL     H5    5  -0.024543  -0.168966   0.026241
-    1SOL     H6    6   0.004921  -0.048166  -0.060120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010609   0.113632   0.092384
-    0SOL     H2    2   0.093175   0.081897   0.128965
-    0SOL     H3    3   0.036112   0.185065   0.033996
-    1SOL     O4    4  -0.017617  -0.117140  -0.097933
-    1SOL     H5    5  -0.032835  -0.182817  -0.029983
-    1SOL     H6    6   0.002691  -0.036984  -0.049717
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024944   0.104641  -0.096385
-    0SOL     H2    2   0.118026   0.116547  -0.077511
-    0SOL     H3    3  -0.006823   0.192574  -0.116901
-    1SOL     O4    4  -0.030497  -0.112852   0.102408
-    1SOL     H5    5  -0.050839  -0.025845   0.068081
-    1SOL     H6    6   0.025321  -0.152577   0.035561
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032634  -0.131040   0.051112
-    0SOL     H2    2  -0.068114  -0.206027   0.003358
-    0SOL     H3    3  -0.083668  -0.127788   0.132028
-    1SOL     O4    4   0.040824   0.140443  -0.052988
-    1SOL     H5    5  -0.045789   0.131274  -0.092692
-    1SOL     H6    6   0.059050   0.054478  -0.015039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003835  -0.097334  -0.115523
-    0SOL     H2    2  -0.004532  -0.005425  -0.088793
-    0SOL     H3    3  -0.063003  -0.100919  -0.190680
-    1SOL     O4    4   0.010050   0.088313   0.112974
-    1SOL     H5    5  -0.068925   0.067581   0.162930
-    1SOL     H6    6   0.043809   0.168186   0.153507
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067775   0.079009  -0.100569
-    0SOL     H2    2  -0.027034   0.061706  -0.185441
-    0SOL     H3    3  -0.153834   0.114939  -0.122139
-    1SOL     O4    4   0.070048  -0.077893   0.113210
-    1SOL     H5    5   0.044175  -0.029223   0.034953
-    1SOL     H6    6   0.101068  -0.162110   0.079932
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015421   0.134575  -0.067731
-    0SOL     H2    2  -0.045687   0.062176  -0.054073
-    0SOL     H3    3  -0.037229   0.202921  -0.109194
-    1SOL     O4    4  -0.014872  -0.131601   0.068009
-    1SOL     H5    5   0.058961  -0.092087   0.114373
-    1SOL     H6    6   0.016539  -0.218297   0.042330
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127495  -0.074119  -0.053245
-    0SOL     H2    2  -0.172378   0.008684  -0.036170
-    0SOL     H3    3  -0.038655  -0.048581  -0.078098
-    1SOL     O4    4   0.124852   0.061748   0.051482
-    1SOL     H5    5   0.066636   0.133866   0.027561
-    1SOL     H6    6   0.184543   0.099508   0.116084
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078450   0.083184  -0.094108
-    0SOL     H2    2  -0.026517   0.161537  -0.112168
-    0SOL     H3    3  -0.164237   0.116727  -0.068076
-    1SOL     O4    4   0.087014  -0.090039   0.093957
-    1SOL     H5    5   0.030346  -0.063473   0.021533
-    1SOL     H6    6   0.026759  -0.108918   0.165897
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067295   0.019530   0.140765
-    0SOL     H2    2  -0.160313  -0.001619   0.132860
-    0SOL     H3    3  -0.035867   0.023678   0.050447
-    1SOL     O4    4   0.067170  -0.021368  -0.130665
-    1SOL     H5    5   0.090396  -0.046769  -0.219983
-    1SOL     H6    6   0.116491   0.059162  -0.115023
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070682  -0.080990   0.119994
-    0SOL     H2    2  -0.009405  -0.031343   0.103155
-    0SOL     H3    3   0.121084  -0.073437   0.038970
-    1SOL     O4    4  -0.071806   0.071145  -0.112845
-    1SOL     H5    5   0.010239   0.093051  -0.157015
-    1SOL     H6    6  -0.105896   0.155263  -0.082442
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066152   0.034768   0.137806
-    0SOL     H2    2  -0.025678   0.017759   0.116823
-    0SOL     H3    3   0.102030  -0.051172   0.159931
-    1SOL     O4    4  -0.061345  -0.034761  -0.139336
-    1SOL     H5    5  -0.146592   0.007569  -0.149504
-    1SOL     H6    6  -0.004380   0.033982  -0.104815
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104192   0.116860   0.005870
-    0SOL     H2    2   0.108556   0.175314   0.081543
-    0SOL     H3    3   0.054764   0.041011   0.036954
-    1SOL     O4    4  -0.099700  -0.109627  -0.014195
-    1SOL     H5    5  -0.066309  -0.159860   0.060129
-    1SOL     H6    6  -0.161539  -0.168673  -0.057228
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035013   0.147515   0.056943
-    0SOL     H2    2  -0.077664   0.065161   0.080629
-    0SOL     H3    3   0.054685   0.122562   0.034719
-    1SOL     O4    4   0.029731  -0.138190  -0.051580
-    1SOL     H5    5   0.076603  -0.221585  -0.054822
-    1SOL     H6    6   0.025994  -0.109201  -0.142728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090322  -0.114922  -0.066613
-    0SOL     H2    2   0.062790  -0.043998  -0.008526
-    0SOL     H3    3   0.028942  -0.186072  -0.048378
-    1SOL     O4    4  -0.079321   0.113543   0.057482
-    1SOL     H5    5  -0.171090   0.088413   0.047029
-    1SOL     H6    6  -0.077046   0.162427   0.139746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016960  -0.150088  -0.043924
-    0SOL     H2    2  -0.034631  -0.070568  -0.030612
-    0SOL     H3    3  -0.047051  -0.216020  -0.070717
-    1SOL     O4    4  -0.014800   0.145886   0.049071
-    1SOL     H5    5   0.079890   0.156226   0.058517
-    1SOL     H6    6  -0.036001   0.192014  -0.032077
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054740   0.137093   0.023138
-    0SOL     H2    2   0.135878   0.185517   0.038433
-    0SOL     H3    3  -0.007549   0.203414  -0.006593
-    1SOL     O4    4  -0.052795  -0.146065  -0.028028
-    1SOL     H5    5  -0.029143  -0.070338   0.025528
-    1SOL     H6    6  -0.126310  -0.186206   0.018304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046322  -0.155339   0.021738
-    0SOL     H2    2   0.137572  -0.141008   0.046848
-    0SOL     H3    3   0.008403  -0.067532   0.017936
-    1SOL     O4    4  -0.043435   0.148339  -0.025637
-    1SOL     H5    5  -0.059034   0.202776   0.051536
-    1SOL     H6    6  -0.130161   0.116145  -0.050224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022886  -0.146316   0.100979
-    0SOL     H2    2   0.066711  -0.061298   0.104669
-    0SOL     H3    3  -0.069476  -0.126389   0.116293
-    1SOL     O4    4  -0.021201   0.142988  -0.107871
-    1SOL     H5    5  -0.021576   0.184501  -0.021622
-    1SOL     H6    6  -0.000578   0.051195  -0.090234
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133477   0.021258   0.100286
-    0SOL     H2    2   0.123939   0.057999   0.188158
-    0SOL     H3    3   0.225090  -0.006067   0.095513
-    1SOL     O4    4  -0.136832  -0.027813  -0.103573
-    1SOL     H5    5  -0.084306   0.050884  -0.089078
-    1SOL     H6    6  -0.217443   0.004251  -0.144022
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124939  -0.123891  -0.047470
-    0SOL     H2    2   0.084897  -0.206634  -0.020775
-    0SOL     H3    3   0.052140  -0.071870  -0.081476
-    1SOL     O4    4  -0.115049   0.127025   0.042346
-    1SOL     H5    5  -0.073186   0.100461   0.124225
-    1SOL     H6    6  -0.208584   0.128592   0.062623
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014477  -0.095662  -0.154106
-    0SOL     H2    2   0.017596  -0.017400  -0.109286
-    0SOL     H3    3  -0.073580  -0.062172  -0.221542
-    1SOL     O4    4   0.013654   0.094434   0.152952
-    1SOL     H5    5   0.100791   0.077167   0.188605
-    1SOL     H6    6  -0.032668   0.011093   0.161371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102682   0.001650   0.148220
-    0SOL     H2    2   0.037792  -0.035746   0.207828
-    0SOL     H3    3   0.143148  -0.074208   0.106144
-    1SOL     O4    4  -0.095241   0.002922  -0.150958
-    1SOL     H5    5  -0.171635   0.005342  -0.208581
-    1SOL     H6    6  -0.127880   0.034008  -0.066515
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-Generated by ForceBalance from calcs/cluster-02/VLE/290K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033757   0.106501  -0.162559
-    0SOL     H2    2  -0.110998   0.050777  -0.172096
-    0SOL     H3    3  -0.015952   0.106950  -0.068510
-    1SOL     O4    4   0.042617  -0.101512   0.153675
-    1SOL     H5    5  -0.035901  -0.148846   0.126168
-    1SOL     H6    6   0.028768  -0.084109   0.246775
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002111   0.188647   0.013663
-    0SOL     H2    2  -0.079983   0.204841   0.060145
-    0SOL     H3    3   0.053079   0.268665   0.026380
-    1SOL     O4    4  -0.001277  -0.199935  -0.018651
-    1SOL     H5    5  -0.056977  -0.125383  -0.041054
-    1SOL     H6    6   0.067568  -0.162744   0.036481
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000485  -0.020373  -0.192783
-    0SOL     H2    2   0.002777  -0.109816  -0.226719
-    0SOL     H3    3  -0.093909  -0.000650  -0.186054
-    1SOL     O4    4   0.001937   0.018877   0.196371
-    1SOL     H5    5   0.084682   0.017625   0.148267
-    1SOL     H6    6  -0.016143   0.111790   0.210608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128381   0.035169  -0.151539
-    0SOL     H2    2  -0.174194   0.070666  -0.075359
-    0SOL     H3    3  -0.075555  -0.036555  -0.116504
-    1SOL     O4    4   0.129961  -0.027102   0.147693
-    1SOL     H5    5   0.154400  -0.114630   0.177757
-    1SOL     H6    6   0.073220  -0.042634   0.072185
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051918  -0.095858   0.165605
-    0SOL     H2    2  -0.129502  -0.039944   0.161541
-    0SOL     H3    3   0.001806  -0.057365   0.234846
-    1SOL     O4    4   0.057279   0.092517  -0.173651
-    1SOL     H5    5  -0.013488   0.141304  -0.131529
-    1SOL     H6    6   0.050101   0.004059  -0.137791
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.049874   0.168876  -0.096489
-    0SOL     H2    2   0.139770   0.193885  -0.075146
-    0SOL     H3    3   0.056828   0.078649  -0.127684
-    1SOL     O4    4  -0.052973  -0.161554   0.102050
-    1SOL     H5    5  -0.100276  -0.244622   0.106980
-    1SOL     H6    6  -0.036935  -0.148580   0.008580
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104261   0.084309   0.145719
-    0SOL     H2    2  -0.171004   0.128961   0.197813
-    0SOL     H3    3  -0.134257  -0.006467   0.140999
-    1SOL     O4    4   0.114982  -0.086632  -0.147564
-    1SOL     H5    5   0.065594  -0.069767  -0.227806
-    1SOL     H6    6   0.082475  -0.021635  -0.085267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112283   0.080143  -0.146476
-    0SOL     H2    2  -0.201596   0.094047  -0.114978
-    0SOL     H3    3  -0.068710   0.164299  -0.133002
-    1SOL     O4    4   0.118015  -0.087823   0.149873
-    1SOL     H5    5   0.149745  -0.026470   0.083606
-    1SOL     H6    6   0.034675  -0.119644   0.115171
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034820  -0.184400   0.086675
-    0SOL     H2    2  -0.049585  -0.222543   0.110825
-    0SOL     H3    3   0.049832  -0.116047   0.151980
-    1SOL     O4    4  -0.027998   0.188697  -0.093027
-    1SOL     H5    5  -0.009731   0.104542  -0.134819
-    1SOL     H6    6  -0.096658   0.169386  -0.029188
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.151803  -0.139358   0.023411
-    0SOL     H2    2   0.126713  -0.140119   0.115782
-    0SOL     H3    3   0.227350  -0.197939   0.018581
-    1SOL     O4    4  -0.154836   0.147229  -0.032686
-    1SOL     H5    5  -0.139598   0.157826   0.061217
-    1SOL     H6    6  -0.165741   0.052899  -0.044735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061886  -0.157485  -0.124735
-    0SOL     H2    2   0.140146  -0.200889  -0.090769
-    0SOL     H3    3   0.004698  -0.229162  -0.152198
-    1SOL     O4    4  -0.059244   0.167460   0.128829
-    1SOL     H5    5  -0.088439   0.076724   0.137597
-    1SOL     H6    6  -0.094994   0.196161   0.044803
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095820   0.112917   0.162423
-    0SOL     H2    2   0.079980   0.167145   0.239694
-    0SOL     H3    3   0.188916   0.124674   0.143527
-    1SOL     O4    4  -0.101385  -0.109719  -0.165562
-    1SOL     H5    5  -0.044581  -0.157304  -0.226153
-    1SOL     H6    6  -0.135766  -0.177127  -0.106942
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101913  -0.211819   0.039043
-    0SOL     H2    2  -0.136785  -0.236265   0.124767
-    0SOL     H3    3  -0.019750  -0.166739   0.058524
-    1SOL     O4    4   0.099094   0.205278  -0.040116
-    1SOL     H5    5   0.037133   0.226424  -0.109944
-    1SOL     H6    6   0.166234   0.273229  -0.046217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001631  -0.017374   0.237941
-    0SOL     H2    2  -0.002787   0.028176   0.322013
-    0SOL     H3    3   0.066981  -0.086036   0.251252
-    1SOL     O4    4  -0.002175   0.021121  -0.248719
-    1SOL     H5    5   0.034677   0.011566  -0.160896
-    1SOL     H6    6  -0.091517  -0.012364  -0.241029
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082574   0.132599  -0.196519
-    0SOL     H2    2  -0.011515   0.163033  -0.140068
-    0SOL     H3    3  -0.161906   0.168319  -0.156609
-    1SOL     O4    4   0.082645  -0.131333   0.196576
-    1SOL     H5    5   0.132847  -0.212717   0.192262
-    1SOL     H6    6   0.035603  -0.127708   0.113292
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088627   0.195743   0.132081
-    0SOL     H2    2   0.179739   0.167476   0.124218
-    0SOL     H3    3   0.093312   0.279079   0.178937
-    1SOL     O4    4  -0.091681  -0.205753  -0.134241
-    1SOL     H5    5  -0.174613  -0.169937  -0.102588
-    1SOL     H6    6  -0.043577  -0.129692  -0.166845
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054925  -0.061763   0.248020
-    0SOL     H2    2   0.027860  -0.092708   0.284780
-    0SOL     H3    3  -0.079186   0.012794   0.302930
-    1SOL     O4    4   0.052649   0.054172  -0.249471
-    1SOL     H5    5   0.106977   0.132578  -0.257422
-    1SOL     H6    6  -0.021026   0.069936  -0.308513
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053345  -0.191769  -0.174751
-    0SOL     H2    2  -0.032246  -0.234604  -0.173415
-    0SOL     H3    3   0.104964  -0.239251  -0.109610
-    1SOL     O4    4  -0.054197   0.202000   0.174644
-    1SOL     H5    5   0.013355   0.143777   0.209416
-    1SOL     H6    6  -0.069757   0.170272   0.085685
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015689  -0.270361  -0.005625
-    0SOL     H2    2   0.000201  -0.254593  -0.098759
-    0SOL     H3    3  -0.063930  -0.239362   0.037529
-    1SOL     O4    4  -0.007093   0.269308   0.013058
-    1SOL     H5    5  -0.042858   0.330527  -0.051249
-    1SOL     H6    6  -0.038164   0.183451  -0.015674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055242  -0.083674   0.278477
-    0SOL     H2    2   0.005016  -0.048345   0.205050
-    0SOL     H3    3   0.143165  -0.047628   0.266963
-    1SOL     O4    4  -0.054302   0.077252  -0.268644
-    1SOL     H5    5  -0.146518   0.102904  -0.267857
-    1SOL     H6    6  -0.025508   0.093965  -0.358387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.167507  -0.016701  -0.241842
-    0SOL     H2    2  -0.178366   0.037369  -0.163607
-    0SOL     H3    3  -0.214036  -0.097859  -0.221572
-    1SOL     O4    4   0.166323   0.019903   0.231903
-    1SOL     H5    5   0.197913   0.071891   0.305806
-    1SOL     H6    6   0.216178  -0.061657   0.236884
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069120   0.293335   0.046919
-    0SOL     H2    2   0.143480   0.234386   0.034347
-    0SOL     H3    3   0.018614   0.253479   0.117792
-    1SOL     O4    4  -0.074887  -0.284403  -0.046638
-    1SOL     H5    5   0.018043  -0.263695  -0.056511
-    1SOL     H6    6  -0.087771  -0.362900  -0.099879
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039799   0.012814  -0.337705
-    0SOL     H2    2  -0.008941  -0.017236  -0.423187
-    0SOL     H3    3  -0.134617   0.021000  -0.347938
-    1SOL     O4    4   0.039178  -0.012660   0.348956
-    1SOL     H5    5   0.088711   0.066867   0.329355
-    1SOL     H6    6   0.061106  -0.072753   0.277750
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094565   0.350089   0.065234
-    0SOL     H2    2  -0.142981   0.405291   0.003826
-    0SOL     H3    3  -0.002718   0.372682   0.050538
-    1SOL     O4    4   0.089572  -0.352215  -0.066590
-    1SOL     H5    5   0.044707  -0.369618   0.016154
-    1SOL     H6    6   0.180776  -0.375997  -0.049902
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025544  -0.317648  -0.220543
-    0SOL     H2    2   0.114251  -0.296993  -0.191102
-    0SOL     H3    3  -0.028633  -0.247383  -0.184627
-    1SOL     O4    4  -0.027430   0.318529   0.220352
-    1SOL     H5    5  -0.007549   0.303937   0.127864
-    1SOL     H6    6  -0.044596   0.231084   0.255296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004667   0.339721   0.196894
-    0SOL     H2    2   0.085559   0.386408   0.217853
-    0SOL     H3    3  -0.059388   0.373369   0.259561
-    1SOL     O4    4  -0.005189  -0.338096  -0.199687
-    1SOL     H5    5   0.013278  -0.416891  -0.148574
-    1SOL     H6    6  -0.028544  -0.370776  -0.286571
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000402   0.386531   0.084081
-    0SOL     H2    2   0.016223   0.473541   0.120347
-    0SOL     H3    3  -0.075253   0.398770   0.025686
-    1SOL     O4    4   0.008318  -0.391815  -0.077233
-    1SOL     H5    5   0.027282  -0.417378  -0.167506
-    1SOL     H6    6  -0.085520  -0.372931  -0.076847
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049421   0.413212  -0.132987
-    0SOL     H2    2  -0.136928   0.375795  -0.122754
-    0SOL     H3    3  -0.025849   0.443462  -0.045285
-    1SOL     O4    4   0.050349  -0.407299   0.130743
-    1SOL     H5    5   0.139978  -0.423434   0.101269
-    1SOL     H6    6   0.002382  -0.486386   0.106113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054636  -0.388041  -0.199058
-    0SOL     H2    2   0.053529  -0.478844  -0.229323
-    0SOL     H3    3   0.104539  -0.390563  -0.117415
-    1SOL     O4    4  -0.055918   0.388346   0.191859
-    1SOL     H5    5  -0.071572   0.478428   0.163530
-    1SOL     H6    6  -0.070444   0.390070   0.286455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061791   0.435073   0.159876
-    0SOL     H2    2   0.029173   0.501114   0.221007
-    0SOL     H3    3   0.130124   0.388986   0.208548
-    1SOL     O4    4  -0.068288  -0.431228  -0.163370
-    1SOL     H5    5  -0.007098  -0.485192  -0.113311
-    1SOL     H6    6  -0.056036  -0.458982  -0.254155
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.198152   0.457568   0.104506
-    0SOL     H2    2  -0.203398   0.371064   0.063861
-    0SOL     H3    3  -0.105455   0.468546   0.125694
-    1SOL     O4    4   0.196348  -0.447821  -0.100799
-    1SOL     H5    5   0.172794  -0.462925  -0.192338
-    1SOL     H6    6   0.158247  -0.521915  -0.053675
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083361   0.045701   0.505043
-    0SOL     H2    2  -0.069835   0.126133   0.555144
-    0SOL     H3    3  -0.148283  -0.003345   0.555461
-    1SOL     O4    4   0.090716  -0.044802  -0.506310
-    1SOL     H5    5   0.082402  -0.021105  -0.598677
-    1SOL     H6    6   0.024769  -0.112885  -0.492971
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.843890  -0.959645  -0.653047
-    0SOL     H2    2  -0.802156  -0.880113  -0.686141
-    0SOL     H3    3  -0.786508  -1.030631  -0.681867
-    1SOL     O4    4   0.841633   0.953582   0.654034
-    1SOL     H5    5   0.755166   0.957364   0.694918
-    1SOL     H6    6   0.872297   1.044257   0.654312
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060093  -0.103761  -0.030652
-    0SOL     H2    2   0.102438  -0.166688   0.027738
-    0SOL     H3    3   0.060024  -0.146689  -0.116207
-    1SOL     O4    4  -0.067206   0.112061   0.037311
-    1SOL     H5    5  -0.027524   0.165430  -0.031532
-    1SOL     H6    6  -0.029783   0.024872   0.024660
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106488   0.059843   0.055496
-    0SOL     H2    2   0.075343   0.120200   0.122945
-    0SOL     H3    3   0.026918   0.029780   0.011598
-    1SOL     O4    4  -0.101706  -0.056063  -0.052516
-    1SOL     H5    5  -0.098443  -0.148803  -0.029042
-    1SOL     H6    6  -0.076081  -0.053727  -0.144712
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/02/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2   0.071138   0.157220   0.005140
-    0SOL     H3    3   0.172629   0.056127   0.054117
-    1SOL     O4    4  -0.113710  -0.071191   0.008597
-    1SOL     H5    5  -0.092366  -0.164462   0.011291
-    1SOL     H6    6  -0.031300  -0.028372  -0.014584
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-    6
-    0SOL     O1    1  -0.071872  -0.077755  -0.071016
-    0SOL     H2    2  -0.079547  -0.148772  -0.007298
-    0SOL     H3    3  -0.160887  -0.065334  -0.103946
-    1SOL     O4    4   0.077502   0.079601   0.076230
-    1SOL     H5    5   0.133726   0.139323   0.026889
-    1SOL     H6    6   0.016426   0.044911   0.011202
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-    6
-    0SOL     O1    1   0.016819  -0.062220   0.110051
-    0SOL     H2    2   0.078649  -0.133890   0.095810
-    0SOL     H3    3   0.058999  -0.006832   0.175742
-    1SOL     O4    4  -0.025345   0.061059  -0.120064
-    1SOL     H5    5  -0.010593   0.002914  -0.045474
-    1SOL     H6    6  -0.006016   0.148578  -0.086461
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.127586  -0.005799   0.011961
-    0SOL     H2    2   0.161931  -0.039160   0.094845
-    0SOL     H3    3   0.141702   0.088768   0.016460
-    1SOL     O4    4  -0.136104   0.006641  -0.016592
-    1SOL     H5    5  -0.042420   0.024166  -0.007736
-    1SOL     H6    6  -0.141217  -0.086697  -0.037189
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.095012  -0.096025   0.026829
-    0SOL     H2    2   0.022163  -0.033950   0.025372
-    0SOL     H3    3   0.154096  -0.065306  -0.041929
-    1SOL     O4    4  -0.092773   0.089152  -0.016493
-    1SOL     H5    5  -0.055151   0.158909  -0.070166
-    1SOL     H6    6  -0.154754   0.044983  -0.074543
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.044256  -0.112482  -0.052119
-    0SOL     H2    2  -0.047561  -0.138564  -0.044925
-    0SOL     H3    3   0.087361  -0.155836   0.021533
-    1SOL     O4    4  -0.040501   0.118319   0.053795
-    1SOL     H5    5  -0.011144   0.040333   0.006694
-    1SOL     H6    6  -0.086611   0.170218  -0.012104
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.055171   0.113303  -0.005867
-    0SOL     H2    2  -0.142268   0.124559  -0.043941
-    0SOL     H3    3  -0.029918   0.201115   0.022658
-    1SOL     O4    4   0.064770  -0.119770   0.008076
-    1SOL     H5    5   0.019255  -0.038107  -0.012465
-    1SOL     H6    6  -0.001957  -0.187643  -0.002076
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.041645  -0.107809   0.057958
-    0SOL     H2    2  -0.022178  -0.178081   0.045679
-    0SOL     H3    3   0.044153  -0.093940   0.152634
-    1SOL     O4    4  -0.041735   0.113426  -0.068009
-    1SOL     H5    5  -0.001296   0.165747   0.001198
-    1SOL     H6    6  -0.019190   0.023031  -0.046036
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009542  -0.064076  -0.124175
-    0SOL     H2    2   0.013725  -0.042341  -0.031049
-    0SOL     H3    3  -0.015818   0.017786  -0.166810
-    1SOL     O4    4  -0.008935   0.054249   0.116455
-    1SOL     H5    5  -0.002475   0.033486   0.209673
-    1SOL     H6    6  -0.004253   0.149784   0.112767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060158   0.056264   0.113220
-    0SOL     H2    2   0.005254   0.037671   0.037048
-    0SOL     H3    3   0.145999   0.077186   0.076397
-    1SOL     O4    4  -0.062931  -0.050559  -0.105434
-    1SOL     H5    5  -0.083910  -0.125650  -0.049905
-    1SOL     H6    6  -0.022402  -0.088832  -0.183247
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018455   0.028673   0.126202
-    0SOL     H2    2   0.066684   0.051560   0.163482
-    0SOL     H3    3  -0.081519   0.051843   0.194382
-    1SOL     O4    4   0.012157  -0.034590  -0.136390
-    1SOL     H5    5   0.003193  -0.005597  -0.045608
-    1SOL     H6    6   0.101450  -0.010123  -0.160691
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.005403   0.020194  -0.131740
-    0SOL     H2    2  -0.008081   0.113967  -0.145421
-    0SOL     H3    3   0.072031  -0.004100  -0.196027
-    1SOL     O4    4  -0.004148  -0.025308   0.140691
-    1SOL     H5    5  -0.098850  -0.011487   0.142352
-    1SOL     H6    6   0.020320  -0.012837   0.048995
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065752  -0.114164   0.029030
-    0SOL     H2    2   0.016948  -0.176904  -0.024300
-    0SOL     H3    3   0.061855  -0.149920   0.117735
-    1SOL     O4    4  -0.068026   0.120610  -0.035151
-    1SOL     H5    5  -0.027781   0.187157   0.020654
-    1SOL     H6    6  -0.014902   0.042225  -0.021152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003161   0.137206   0.000349
-    0SOL     H2    2   0.046844   0.126155   0.084801
-    0SOL     H3    3  -0.080959   0.177461   0.021928
-    1SOL     O4    4   0.000736  -0.141498   0.000097
-    1SOL     H5    5  -0.000131  -0.049240  -0.025397
-    1SOL     H6    6  -0.025715  -0.188498  -0.078983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085433   0.000909   0.103057
-    0SOL     H2    2   0.054004   0.037590   0.185695
-    0SOL     H3    3   0.131096  -0.079356   0.128253
-    1SOL     O4    4  -0.086399  -0.003351  -0.114126
-    1SOL     H5    5  -0.017698   0.007509  -0.048365
-    1SOL     H6    6  -0.149670   0.065703  -0.094363
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083234   0.100475   0.038696
-    0SOL     H2    2   0.043672   0.123684   0.122711
-    0SOL     H3    3   0.084515   0.182460  -0.010691
-    1SOL     O4    4  -0.079555  -0.112983  -0.041400
-    1SOL     H5    5  -0.039220  -0.048923   0.017180
-    1SOL     H6    6  -0.146456  -0.063479  -0.088685
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009315   0.115941  -0.065793
-    0SOL     H2    2   0.046798   0.112910  -0.153817
-    0SOL     H3    3   0.003015   0.209293  -0.045594
-    1SOL     O4    4  -0.006630  -0.125042   0.067249
-    1SOL     H5    5  -0.032482  -0.039297   0.033459
-    1SOL     H6    6  -0.062177  -0.138309   0.144066
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127070  -0.061902   0.023114
-    0SOL     H2    2   0.040431  -0.033989  -0.006495
-    0SOL     H3    3   0.174580  -0.082209  -0.057464
-    1SOL     O4    4  -0.125305   0.055254  -0.013906
-    1SOL     H5    5  -0.100374   0.136025   0.031004
-    1SOL     H6    6  -0.142430   0.082263  -0.104125
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.071551   0.074120   0.100960
-    0SOL     H2    2  -0.143299   0.118065   0.055316
-    0SOL     H3    3  -0.024192   0.027566   0.032024
-    1SOL     O4    4   0.067195  -0.071104  -0.092129
-    1SOL     H5    5   0.086967  -0.163804  -0.105474
-    1SOL     H6    6   0.148147  -0.025691  -0.115514
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.043418   0.003630  -0.127760
-    0SOL     H2    2  -0.092877   0.074412  -0.169065
-    0SOL     H3    3  -0.068451  -0.074805  -0.176582
-    1SOL     O4    4   0.045915   0.003115   0.136968
-    1SOL     H5    5   0.064404  -0.085488   0.168114
-    1SOL     H6    6   0.054608  -0.002594   0.041814
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128448  -0.048288  -0.003928
-    0SOL     H2    2   0.172770   0.026459  -0.044063
-    0SOL     H3    3   0.148038  -0.121817  -0.061997
-    1SOL     O4    4  -0.132135   0.055058   0.009613
-    1SOL     H5    5  -0.209017   0.002222   0.031058
-    1SOL     H6    6  -0.062054  -0.008793  -0.003573
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.067882  -0.004567  -0.120461
-    0SOL     H2    2   0.028968  -0.023416  -0.205859
-    0SOL     H3    3   0.082282   0.090062  -0.121010
-    1SOL     O4    4  -0.068185  -0.004471   0.130674
-    1SOL     H5    5  -0.097445   0.086205   0.121511
-    1SOL     H6    6  -0.009611  -0.018423   0.056265
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044920   0.021091   0.139777
-    0SOL     H2    2  -0.053194   0.024475   0.044476
-    0SOL     H3    3   0.045173  -0.007409   0.155048
-    1SOL     O4    4   0.039478  -0.015248  -0.128677
-    1SOL     H5    5   0.073046  -0.104482  -0.137207
-    1SOL     H6    6   0.012717   0.008904  -0.217349
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.043802  -0.074835   0.104011
-    0SOL     H2    2  -0.032815  -0.169674   0.110884
-    0SOL     H3    3  -0.085225  -0.049436   0.186482
-    1SOL     O4    4   0.043418   0.084365  -0.110568
-    1SOL     H5    5   0.013175   0.024706  -0.042095
-    1SOL     H6    6   0.114391   0.037046  -0.153996
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.078236  -0.034493  -0.113581
-    0SOL     H2    2   0.148870  -0.087948  -0.077309
-    0SOL     H3    3   0.113206   0.054610  -0.113699
-    1SOL     O4    4  -0.084557   0.038712   0.111176
-    1SOL     H5    5  -0.068933  -0.024731   0.041225
-    1SOL     H6    6  -0.094873  -0.014561   0.190029
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.100641   0.002043  -0.097035
-    0SOL     H2    2   0.178081  -0.001597  -0.040891
-    0SOL     H3    3   0.124228  -0.049965  -0.173854
-    1SOL     O4    4  -0.112298   0.004398   0.099392
-    1SOL     H5    5  -0.072243  -0.057846   0.160086
-    1SOL     H6    6  -0.050641   0.009780   0.026373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023932  -0.049090   0.139393
-    0SOL     H2    2   0.005695   0.029088   0.191526
-    0SOL     H3    3   0.036042  -0.016240   0.050306
-    1SOL     O4    4  -0.024004   0.047499  -0.133095
-    1SOL     H5    5   0.053829   0.001474  -0.164496
-    1SOL     H6    6  -0.097272   0.001308  -0.173845
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033622   0.052363  -0.135984
-    0SOL     H2    2   0.011674   0.010815  -0.052592
-    0SOL     H3    3  -0.043057   0.037240  -0.191246
-    1SOL     O4    4  -0.023610  -0.049026   0.129112
-    1SOL     H5    5  -0.097001  -0.106141   0.151780
-    1SOL     H6    6  -0.019530   0.014369   0.200713
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086684  -0.093433  -0.056041
-    0SOL     H2    2  -0.063011  -0.182820  -0.080779
-    0SOL     H3    3  -0.175551  -0.081952  -0.089704
-    1SOL     O4    4   0.095794   0.100740   0.055521
-    1SOL     H5    5   0.024080   0.044804   0.025680
-    1SOL     H6    6   0.083349   0.107251   0.150205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.098521   0.094521  -0.059339
-    0SOL     H2    2   0.053070   0.015305  -0.030681
-    0SOL     H3    3   0.189333   0.066925  -0.071747
-    1SOL     O4    4  -0.097859  -0.084712   0.054921
-    1SOL     H5    5  -0.137837  -0.068019   0.140275
-    1SOL     H6    6  -0.119092  -0.176096   0.035935
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053342  -0.142391  -0.002237
-    0SOL     H2    2  -0.017418  -0.160275   0.084664
-    0SOL     H3    3  -0.042870  -0.047921  -0.013558
-    1SOL     O4    4   0.045005   0.137841   0.002340
-    1SOL     H5    5   0.134356   0.114443   0.027466
-    1SOL     H6    6   0.052068   0.164584  -0.089297
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019604  -0.132235   0.050375
-    0SOL     H2    2   0.074907  -0.133958   0.065441
-    0SOL     H3    3  -0.056311  -0.183653   0.122286
-    1SOL     O4    4   0.021471   0.135559  -0.059649
-    1SOL     H5    5  -0.030522   0.210296  -0.030098
-    1SOL     H6    6  -0.018885   0.059916  -0.017082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077491  -0.006371   0.128939
-    0SOL     H2    2   0.037295   0.010902   0.043802
-    0SOL     H3    3   0.126371   0.073436   0.149036
-    1SOL     O4    4  -0.071169   0.001546  -0.124031
-    1SOL     H5    5  -0.127021  -0.076123  -0.127250
-    1SOL     H6    6  -0.130138   0.074342  -0.143674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020321   0.140566  -0.021482
-    0SOL     H2    2   0.027079   0.145150  -0.104516
-    0SOL     H3    3  -0.095814   0.198125  -0.033735
-    1SOL     O4    4   0.024775  -0.145296   0.033375
-    1SOL     H5    5   0.025619  -0.208688  -0.038341
-    1SOL     H6    6  -0.021979  -0.069641  -0.002018
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028386   0.051224   0.130877
-    0SOL     H2    2  -0.055182   0.011896   0.213929
-    0SOL     H3    3   0.030587   0.122339   0.155920
-    1SOL     O4    4   0.027421  -0.047900  -0.141343
-    1SOL     H5    5   0.042161  -0.141453  -0.155232
-    1SOL     H6    6   0.000479  -0.041189  -0.049739
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012873  -0.139088   0.068965
-    0SOL     H2    2   0.052047  -0.072203   0.047190
-    0SOL     H3    3  -0.094855  -0.105722   0.032525
-    1SOL     O4    4   0.007714   0.129488  -0.067233
-    1SOL     H5    5   0.092579   0.131514  -0.111462
-    1SOL     H6    6   0.015891   0.193646   0.003331
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066372   0.060520  -0.115064
-    0SOL     H2    2  -0.161401   0.049068  -0.114220
-    0SOL     H3    3  -0.053660   0.154966  -0.124046
-    1SOL     O4    4   0.073207  -0.060991   0.120276
-    1SOL     H5    5   0.075636  -0.156679   0.119997
-    1SOL     H6    6   0.029898  -0.037844   0.038113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045968   0.126765  -0.077133
-    0SOL     H2    2   0.051536   0.037677  -0.042570
-    0SOL     H3    3   0.031071   0.181525  -0.000050
-    1SOL     O4    4  -0.040235  -0.123509   0.067158
-    1SOL     H5    5  -0.039125  -0.179171   0.145023
-    1SOL     H6    6  -0.130800  -0.093223   0.060597
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050374  -0.095532  -0.096548
-    0SOL     H2    2   0.005248  -0.105842  -0.180332
-    0SOL     H3    3   0.119907  -0.161287  -0.098490
-    1SOL     O4    4  -0.050760   0.106884   0.100711
-    1SOL     H5    5  -0.091951   0.058838   0.172524
-    1SOL     H6    6  -0.024902   0.039138   0.038228
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006821  -0.003255  -0.155140
-    0SOL     H2    2   0.094860   0.019544  -0.185002
-    0SOL     H3    3   0.010761   0.005509  -0.059904
-    1SOL     O4    4  -0.013687   0.004059   0.144745
-    1SOL     H5    5   0.067817   0.020690   0.192103
-    1SOL     H6    6  -0.064630  -0.051743   0.203509
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032319  -0.100510  -0.120447
-    0SOL     H2    2   0.034682  -0.025729  -0.060743
-    0SOL     H3    3  -0.044408  -0.150724  -0.092991
-    1SOL     O4    4  -0.027277   0.093363   0.112487
-    1SOL     H5    5  -0.010775   0.112438   0.204824
-    1SOL     H6    6  -0.055045   0.177070   0.075280
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.005529  -0.021110   0.160269
-    0SOL     H2    2   0.057111   0.037725   0.105133
-    0SOL     H3    3  -0.041858  -0.076634   0.098350
-    1SOL     O4    4  -0.003604   0.018927  -0.158927
-    1SOL     H5    5   0.031300   0.094116  -0.111066
-    1SOL     H6    6  -0.075158  -0.013296  -0.104117
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088333   0.129202  -0.035351
-    0SOL     H2    2  -0.159472   0.108883   0.025383
-    0SOL     H3    3  -0.015586   0.074146  -0.006384
-    1SOL     O4    4   0.084957  -0.122531   0.035428
-    1SOL     H5    5   0.063085  -0.202846  -0.011832
-    1SOL     H6    6   0.163672  -0.089766  -0.008077
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.114991   0.002173   0.112919
-    0SOL     H2    2  -0.042016   0.057147   0.084374
-    0SOL     H3    3  -0.175960   0.003007   0.039133
-    1SOL     O4    4   0.114892   0.001137  -0.107971
-    1SOL     H5    5   0.050035  -0.062444  -0.138193
-    1SOL     H6    6   0.170978  -0.048341  -0.048233
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.069621  -0.136826  -0.010703
-    0SOL     H2    2  -0.159000  -0.127686  -0.043719
-    0SOL     H3    3  -0.061906  -0.229404   0.012364
-    1SOL     O4    4   0.074142   0.146966   0.007932
-    1SOL     H5    5   0.113994   0.128206   0.092915
-    1SOL     H6    6   0.029113   0.065923  -0.015873
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094991  -0.096495   0.096144
-    0SOL     H2    2  -0.139158  -0.021374   0.135747
-    0SOL     H3    3  -0.102199  -0.081609   0.001864
-    1SOL     O4    4   0.095319   0.088678  -0.098211
-    1SOL     H5    5   0.135103   0.175636  -0.102431
-    1SOL     H6    6   0.096738   0.066126  -0.005196
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099800   0.128048  -0.034441
-    0SOL     H2    2   0.064107   0.041146  -0.052782
-    0SOL     H3    3   0.194624   0.117014  -0.041444
-    1SOL     O4    4  -0.096186  -0.122036   0.037498
-    1SOL     H5    5  -0.170421  -0.083867   0.084343
-    1SOL     H6    6  -0.135661  -0.168196  -0.036484
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047158  -0.078023   0.139149
-    0SOL     H2    2  -0.018293  -0.162537   0.104702
-    0SOL     H3    3   0.031023  -0.040753   0.179905
-    1SOL     O4    4   0.041723   0.078179  -0.146061
-    1SOL     H5    5   0.029651   0.030524  -0.063929
-    1SOL     H6    6   0.042061   0.170412  -0.120464
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050712  -0.100475  -0.122126
-    0SOL     H2    2   0.128443  -0.045899  -0.110221
-    0SOL     H3    3   0.077937  -0.187617  -0.093362
-    1SOL     O4    4  -0.053342   0.098919   0.124248
-    1SOL     H5    5  -0.081334   0.190455   0.124080
-    1SOL     H6    6  -0.089656   0.062570   0.043487
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036225   0.058081   0.147753
-    0SOL     H2    2  -0.033914   0.113499   0.225765
-    0SOL     H3    3  -0.019773  -0.030306   0.180607
-    1SOL     O4    4   0.034458  -0.061679  -0.158739
-    1SOL     H5    5  -0.013404   0.021152  -0.161994
-    1SOL     H6    6   0.093264  -0.052487  -0.083774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030013   0.166111  -0.042978
-    0SOL     H2    2   0.021859   0.202854   0.028587
-    0SOL     H3    3  -0.119914   0.192586  -0.023508
-    1SOL     O4    4   0.036770  -0.170073   0.041537
-    1SOL     H5    5   0.038834  -0.188324  -0.052404
-    1SOL     H6    6  -0.054530  -0.147740   0.059645
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111567   0.132674   0.066568
-    0SOL     H2    2   0.063994   0.050508   0.054406
-    0SOL     H3    3   0.115478   0.144317   0.161496
-    1SOL     O4    4  -0.108915  -0.122828  -0.074800
-    1SOL     H5    5  -0.074129  -0.207962  -0.101340
-    1SOL     H6    6  -0.146361  -0.138187   0.011942
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096426   0.010094  -0.160634
-    0SOL     H2    2  -0.047176   0.013211  -0.078615
-    0SOL     H3    3  -0.145329  -0.072068  -0.156155
-    1SOL     O4    4   0.090536  -0.007469   0.154808
-    1SOL     H5    5   0.139907  -0.002151   0.236640
-    1SOL     H6    6   0.151467   0.023818   0.087943
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.151010  -0.110197   0.004440
-    0SOL     H2    2   0.158872  -0.184101   0.064762
-    0SOL     H3    3   0.085084  -0.053483   0.044435
-    1SOL     O4    4  -0.148459   0.117576  -0.013586
-    1SOL     H5    5  -0.102660   0.099554   0.068512
-    1SOL     H6    6  -0.179370   0.031935  -0.043122
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.182406   0.001909  -0.045981
-    0SOL     H2    2  -0.191758  -0.074438   0.010994
-    0SOL     H3    3  -0.126125  -0.028146  -0.117335
-    1SOL     O4    4   0.173487   0.004165   0.046326
-    1SOL     H5    5   0.234387  -0.064662   0.019560
-    1SOL     H6    6   0.229352   0.072744   0.082911
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119489   0.137140  -0.045061
-    0SOL     H2    2   0.147816   0.062111  -0.097315
-    0SOL     H3    3   0.194853   0.196153  -0.044979
-    1SOL     O4    4  -0.122708  -0.141917   0.044454
-    1SOL     H5    5  -0.193768  -0.081655   0.022517
-    1SOL     H6    6  -0.088324  -0.109227   0.127589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.129233   0.142757   0.009706
-    0SOL     H2    2  -0.192761   0.078946  -0.022770
-    0SOL     H3    3  -0.154240   0.157209   0.100964
-    1SOL     O4    4   0.129368  -0.144345  -0.013367
-    1SOL     H5    5   0.130853  -0.057847   0.027598
-    1SOL     H6    6   0.215603  -0.153155  -0.053966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031382  -0.103921  -0.160713
-    0SOL     H2    2  -0.004401  -0.140007  -0.241829
-    0SOL     H3    3   0.005272  -0.011838  -0.161841
-    1SOL     O4    4  -0.023085   0.103729   0.161283
-    1SOL     H5    5  -0.054136   0.132058   0.247281
-    1SOL     H6    6  -0.072399   0.023726   0.143120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045979   0.126284   0.149467
-    0SOL     H2    2  -0.035464   0.221037   0.158049
-    0SOL     H3    3  -0.018957   0.107176   0.059651
-    1SOL     O4    4   0.041822  -0.126915  -0.139591
-    1SOL     H5    5   0.019348  -0.101706  -0.229155
-    1SOL     H6    6   0.098557  -0.203345  -0.149691
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015714   0.028694   0.204605
-    0SOL     H2    2   0.023248   0.090263   0.142528
-    0SOL     H3    3  -0.009453   0.072828   0.289312
-    1SOL     O4    4   0.015324  -0.040778  -0.208707
-    1SOL     H5    5   0.065344   0.037404  -0.185301
-    1SOL     H6    6  -0.075239  -0.018745  -0.186908
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.208971   0.002284  -0.029083
-    0SOL     H2    2  -0.271973  -0.028165   0.036230
-    0SOL     H3    3  -0.138871  -0.062862  -0.027006
-    1SOL     O4    4   0.202589   0.000920   0.026564
-    1SOL     H5    5   0.265043  -0.040894  -0.032710
-    1SOL     H6    6   0.249520   0.076795   0.061244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069676  -0.198721  -0.050647
-    0SOL     H2    2  -0.001413  -0.243522  -0.096490
-    0SOL     H3    3   0.054014  -0.105739  -0.067119
-    1SOL     O4    4  -0.070644   0.193230   0.053304
-    1SOL     H5    5   0.014616   0.167505   0.018213
-    1SOL     H6    6  -0.052257   0.270399   0.106869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013703  -0.162760   0.160904
-    0SOL     H2    2   0.001075  -0.224941   0.089235
-    0SOL     H3    3  -0.048666  -0.092413   0.142912
-    1SOL     O4    4  -0.011701   0.165771  -0.149933
-    1SOL     H5    5   0.077970   0.157990  -0.182504
-    1SOL     H6    6  -0.064800   0.119049  -0.214430
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002559   0.171475   0.145998
-    0SOL     H2    2   0.043233   0.239555   0.199599
-    0SOL     H3    3   0.036988   0.186483   0.057954
-    1SOL     O4    4  -0.005940  -0.170487  -0.147371
-    1SOL     H5    5  -0.085995  -0.201487  -0.105033
-    1SOL     H6    6   0.058266  -0.239509  -0.130762
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.146992   0.093331  -0.145854
-    0SOL     H2    2   0.075807   0.044853  -0.187626
-    0SOL     H3    3   0.226608   0.058036  -0.185575
-    1SOL     O4    4  -0.141654  -0.093671   0.151039
-    1SOL     H5    5  -0.223457  -0.095303   0.200718
-    1SOL     H6    6  -0.152833  -0.021855   0.088751
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059640  -0.225847  -0.004913
-    0SOL     H2    2  -0.041417  -0.144451   0.042043
-    0SOL     H3    3   0.020614  -0.243775  -0.053904
-    1SOL     O4    4   0.055951   0.226751   0.007208
-    1SOL     H5    5   0.042693   0.138659   0.042229
-    1SOL     H6    6   0.026901   0.221013  -0.083816
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042500   0.196835  -0.108412
-    0SOL     H2    2  -0.138219   0.196466  -0.108298
-    0SOL     H3    3  -0.018796   0.283553  -0.075543
-    1SOL     O4    4   0.041745  -0.199207   0.111945
-    1SOL     H5    5   0.097037  -0.277331   0.113274
-    1SOL     H6    6   0.056778  -0.160631   0.025641
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065970   0.165359  -0.161168
-    0SOL     H2    2  -0.011749   0.201723  -0.231169
-    0SOL     H3    3  -0.083421   0.239589  -0.103308
-    1SOL     O4    4   0.059362  -0.170665   0.167746
-    1SOL     H5    5   0.057451  -0.124486   0.083924
-    1SOL     H6    6   0.131896  -0.232564   0.159395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003222  -0.239886   0.068452
-    0SOL     H2    2  -0.083748  -0.277669   0.055382
-    0SOL     H3    3   0.001344  -0.157765   0.019310
-    1SOL     O4    4   0.000214   0.243767  -0.065236
-    1SOL     H5    5  -0.052847   0.169043  -0.037611
-    1SOL     H6    6   0.084441   0.205574  -0.089922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101043   0.227918   0.027077
-    0SOL     H2    2  -0.107892   0.211942   0.121206
-    0SOL     H3    3  -0.111639   0.141529  -0.012760
-    1SOL     O4    4   0.104350  -0.218060  -0.025300
-    1SOL     H5    5   0.077170  -0.309691  -0.020082
-    1SOL     H6    6   0.091973  -0.194556  -0.117260
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086977  -0.220179   0.078789
-    0SOL     H2    2  -0.159209  -0.258881   0.029322
-    0SOL     H3    3  -0.039061  -0.167987   0.014427
-    1SOL     O4    4   0.092399   0.213754  -0.072178
-    1SOL     H5    5   0.015869   0.227903  -0.127904
-    1SOL     H6    6   0.100261   0.294431  -0.021269
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094876   0.190318  -0.119695
-    0SOL     H2    2  -0.133208   0.239917  -0.192034
-    0SOL     H3    3  -0.024641   0.246374  -0.086723
-    1SOL     O4    4   0.095089  -0.191129   0.117056
-    1SOL     H5    5   0.149840  -0.235440   0.181873
-    1SOL     H6    6   0.007303  -0.226375   0.131673
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-Generated by ForceBalance from calcs/cluster-02/VLE/300K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034622  -0.069981  -0.248456
-    0SOL     H2    2   0.110131  -0.077140  -0.306847
-    0SOL     H3    3  -0.029595  -0.131029  -0.284673
-    1SOL     O4    4  -0.039822   0.073271   0.259916
-    1SOL     H5    5  -0.052359   0.038176   0.171748
-    1SOL     H6    6   0.043710   0.119809   0.255568
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013261  -0.126935  -0.238962
-    0SOL     H2    2  -0.037064  -0.212821  -0.273879
-    0SOL     H3    3   0.052358  -0.145664  -0.171837
-    1SOL     O4    4   0.008924   0.132118   0.242521
-    1SOL     H5    5   0.084910   0.186422   0.221555
-    1SOL     H6    6  -0.027523   0.107943   0.157377
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001267  -0.204489  -0.192797
-    0SOL     H2    2  -0.088868  -0.231420  -0.165172
-    0SOL     H3    3   0.055243  -0.277705  -0.168131
-    1SOL     O4    4   0.004009   0.211254   0.196247
-    1SOL     H5    5  -0.011413   0.129367   0.149141
-    1SOL     H6    6   0.003540   0.278551   0.128180
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025914   0.300344  -0.011158
-    0SOL     H2    2  -0.002335   0.392819  -0.018552
-    0SOL     H3    3  -0.116972   0.296383  -0.040399
-    1SOL     O4    4   0.027486  -0.310810   0.017168
-    1SOL     H5    5  -0.014102  -0.224903   0.009910
-    1SOL     H6    6   0.102493  -0.306248  -0.042122
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.098338   0.240452  -0.167876
-    0SOL     H2    2   0.155224   0.210284  -0.238701
-    0SOL     H3    3   0.022731   0.278659  -0.212443
-    1SOL     O4    4  -0.090949  -0.244396   0.174796
-    1SOL     H5    5  -0.107778  -0.152903   0.152254
-    1SOL     H6    6  -0.176785  -0.279421   0.198624
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036242  -0.238114   0.211589
-    0SOL     H2    2  -0.092816  -0.271726   0.281101
-    0SOL     H3    3   0.035992  -0.195650   0.257864
-    1SOL     O4    4   0.039010   0.232621  -0.220753
-    1SOL     H5    5   0.050253   0.326496  -0.235698
-    1SOL     H6    6  -0.036686   0.226493  -0.162487
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146955   0.284751  -0.098873
-    0SOL     H2    2  -0.235002   0.256756  -0.073849
-    0SOL     H3    3  -0.144402   0.273808  -0.193931
-    1SOL     O4    4   0.147159  -0.279940   0.098900
-    1SOL     H5    5   0.190156  -0.236712   0.172690
-    1SOL     H6    6   0.180549  -0.369626   0.100854
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001596   0.302515   0.202169
-    0SOL     H2    2   0.011869   0.277226   0.293500
-    0SOL     H3    3   0.058741   0.247017   0.152754
-    1SOL     O4    4  -0.001260  -0.294677  -0.210176
-    1SOL     H5    5  -0.063665  -0.275710  -0.140118
-    1SOL     H6    6   0.042508  -0.375080  -0.182210
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007179  -0.349590  -0.147969
-    0SOL     H2    2   0.013756  -0.267920  -0.102647
-    0SOL     H3    3  -0.000094  -0.327941  -0.240939
-    1SOL     O4    4   0.007442   0.343297   0.156757
-    1SOL     H5    5  -0.074497   0.317767   0.114371
-    1SOL     H6    6   0.059054   0.383567   0.086922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094516  -0.380566  -0.053248
-    0SOL     H2    2   0.064859  -0.465524  -0.020615
-    0SOL     H3    3   0.018976  -0.322855  -0.042045
-    1SOL     O4    4  -0.083890   0.384818   0.054376
-    1SOL     H5    5  -0.166825   0.424556   0.027822
-    1SOL     H6    6  -0.085597   0.297407   0.015405
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000391  -0.393274  -0.179626
-    0SOL     H2    2   0.038254  -0.310973  -0.148717
-    0SOL     H3    3   0.021198  -0.395681  -0.273026
-    1SOL     O4    4  -0.003965   0.383294   0.188131
-    1SOL     H5    5  -0.040657   0.471572   0.192932
-    1SOL     H6    6   0.033021   0.377437   0.100039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029735   0.107240   0.438981
-    0SOL     H2    2  -0.110149   0.112491   0.387325
-    0SOL     H3    3   0.016820   0.031604   0.403288
-    1SOL     O4    4   0.030375  -0.097215  -0.432599
-    1SOL     H5    5   0.114664  -0.136703  -0.454924
-    1SOL     H6    6  -0.032261  -0.169346  -0.438603
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.114985   0.297577   0.335259
-    0SOL     H2    2   0.054757   0.267842   0.267062
-    0SOL     H3    3   0.163151   0.369791   0.294917
-    1SOL     O4    4  -0.113878  -0.297679  -0.322644
-    1SOL     H5    5  -0.102535  -0.243097  -0.400454
-    1SOL     H6    6  -0.131315  -0.385263  -0.357102
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061199  -0.452446  -0.117492
-    0SOL     H2    2   0.119197  -0.468502  -0.191929
-    0SOL     H3    3   0.056869  -0.357074  -0.110577
-    1SOL     O4    4  -0.060972   0.441891   0.120627
-    1SOL     H5    5  -0.031751   0.519561   0.168333
-    1SOL     H6    6  -0.149296   0.463785   0.090930
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007033   0.410474   0.370969
-    0SOL     H2    2  -0.009107   0.319426   0.346228
-    0SOL     H3    3  -0.070950   0.436157   0.420175
-    1SOL     O4    4  -0.001863  -0.402560  -0.367099
-    1SOL     H5    5   0.069390  -0.452072  -0.407521
-    1SOL     H6    6  -0.079584  -0.426989  -0.417350
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112875   0.630746   0.170290
-    0SOL     H2    2   0.111435   0.722309   0.198155
-    0SOL     H3    3   0.142244   0.633830   0.079239
-    1SOL     O4    4  -0.116151  -0.642039  -0.166482
-    1SOL     H5    5  -0.171633  -0.564610  -0.175902
-    1SOL     H6    6  -0.027451  -0.607102  -0.157878
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117774  -0.001136   0.038541
-    0SOL     H2    2   0.190896   0.060591   0.040817
-    0SOL     H3    3   0.099809  -0.020463   0.130552
-    1SOL     O4    4  -0.122979  -0.001601  -0.050979
-    1SOL     H5    5  -0.181989  -0.001929   0.024387
-    1SOL     H6    6  -0.035244   0.000393  -0.012756
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097451  -0.011747  -0.093333
-    0SOL     H2    2   0.086991  -0.105898  -0.107066
-    0SOL     H3    3   0.043069   0.007554  -0.016963
-    1SOL     O4    4  -0.088475   0.020756   0.089317
-    1SOL     H5    5  -0.084800  -0.069839   0.119999
-    1SOL     H6    6  -0.179701   0.033615   0.063342
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055231   0.096782  -0.058073
-    0SOL     H2    2   0.088341   0.171475  -0.008202
-    0SOL     H3    3   0.016896   0.135550  -0.136748
-    1SOL     O4    4  -0.051818  -0.108816   0.058701
-    1SOL     H5    5  -0.119144  -0.090889   0.124337
-    1SOL     H6    6  -0.038658  -0.025035   0.014318
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072086  -0.090147   0.073266
-    0SOL     H2    2  -0.020895  -0.020684   0.031835
-    0SOL     H3    3  -0.007432  -0.156490   0.097367
-    1SOL     O4    4   0.069092   0.085696  -0.068795
-    1SOL     H5    5   0.050160   0.088451  -0.162584
-    1SOL     H6    6   0.023270   0.161647  -0.032821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062311  -0.031818  -0.106437
-    0SOL     H2    2   0.091909  -0.122253  -0.116819
-    0SOL     H3    3   0.132339   0.020915  -0.144876
-    1SOL     O4    4  -0.066579   0.037693   0.115077
-    1SOL     H5    5  -0.151398   0.006121   0.083914
-    1SOL     H6    6  -0.004202   0.008488   0.048605
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084927   0.013960   0.109501
-    0SOL     H2    2  -0.043756   0.025140   0.023814
-    0SOL     H3    3  -0.011620   0.003776   0.170203
-    1SOL     O4    4   0.076178  -0.008645  -0.104954
-    1SOL     H5    5   0.134587  -0.015559  -0.180472
-    1SOL     H6    6   0.053294  -0.099183  -0.083945
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124260  -0.060198  -0.010399
-    0SOL     H2    2   0.118850  -0.107473   0.072655
-    0SOL     H3    3   0.041269  -0.012899  -0.016541
-    1SOL     O4    4  -0.115294   0.055522   0.006704
-    1SOL     H5    5  -0.112081   0.126878  -0.057016
-    1SOL     H6    6  -0.194342   0.072611   0.057906
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040418   0.123293  -0.011350
-    0SOL     H2    2  -0.086736   0.152386  -0.089903
-    0SOL     H3    3  -0.105464   0.129610   0.058588
-    1SOL     O4    4   0.051229  -0.126710   0.017082
-    1SOL     H5    5   0.025246  -0.193054  -0.046838
-    1SOL     H6    6   0.011279  -0.045762  -0.014757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071107   0.117281  -0.023945
-    0SOL     H2    2  -0.025825   0.034281  -0.009018
-    0SOL     H3    3  -0.064729   0.163471   0.059651
-    1SOL     O4    4   0.066529  -0.110609   0.022486
-    1SOL     H5    5   0.016700  -0.189183   0.000003
-    1SOL     H6    6   0.144658  -0.115150  -0.032628
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039054  -0.059748  -0.121929
-    0SOL     H2    2  -0.015065   0.014533  -0.066529
-    0SOL     H3    3   0.021901  -0.129127  -0.096763
-    1SOL     O4    4   0.032399   0.057471   0.110410
-    1SOL     H5    5   0.011854   0.139356   0.155522
-    1SOL     H6    6   0.079197   0.005259   0.175572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038105   0.113668  -0.055941
-    0SOL     H2    2  -0.004634   0.101040  -0.140654
-    0SOL     H3    3   0.017392   0.203957  -0.031833
-    1SOL     O4    4  -0.041099  -0.118211   0.061901
-    1SOL     H5    5   0.026438  -0.184381   0.076821
-    1SOL     H6    6   0.002206  -0.051226   0.008986
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044305  -0.094003  -0.098951
-    0SOL     H2    2   0.054477  -0.020273  -0.038762
-    0SOL     H3    3  -0.049822  -0.111367  -0.099938
-    1SOL     O4    4  -0.034183   0.085375   0.095521
-    1SOL     H5    5  -0.022874   0.179523   0.082461
-    1SOL     H6    6  -0.128882   0.073327   0.102554
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059355  -0.108216   0.063042
-    0SOL     H2    2   0.038148  -0.200036   0.046257
-    0SOL     H3    3  -0.011286  -0.059194   0.020983
-    1SOL     O4    4  -0.047946   0.109406  -0.057307
-    1SOL     H5    5  -0.082530   0.074922  -0.139630
-    1SOL     H6    6  -0.119829   0.161022  -0.020826
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022174  -0.064585   0.123781
-    0SOL     H2    2   0.021317  -0.011559   0.044095
-    0SOL     H3    3  -0.031255  -0.015245   0.186016
-    1SOL     O4    4  -0.013619   0.059920  -0.118638
-    1SOL     H5    5  -0.027420  -0.004236  -0.188322
-    1SOL     H6    6  -0.094480   0.111108  -0.116784
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.130151   0.043732   0.033014
-    0SOL     H2    2   0.197196  -0.015850  -0.000409
-    0SOL     H3    3   0.048032  -0.004372   0.022771
-    1SOL     O4    4  -0.125157  -0.038757  -0.024924
-    1SOL     H5    5  -0.152195  -0.095352  -0.097232
-    1SOL     H6    6  -0.164628   0.046140  -0.044844
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018907   0.119143  -0.075069
-    0SOL     H2    2  -0.018243   0.108801  -0.162678
-    0SOL     H3    3   0.012712   0.032009  -0.035936
-    1SOL     O4    4  -0.017214  -0.107600   0.073541
-    1SOL     H5    5   0.060826  -0.162450   0.081514
-    1SOL     H6    6  -0.076960  -0.140999   0.140453
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018502  -0.076778  -0.114050
-    0SOL     H2    2  -0.067416  -0.115504  -0.097293
-    0SOL     H3    3   0.079261  -0.130062  -0.062752
-    1SOL     O4    4  -0.017192   0.080002   0.116198
-    1SOL     H5    5  -0.007616   0.028855   0.035857
-    1SOL     H6    6  -0.026026   0.170454   0.086154
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042704   0.111364  -0.064393
-    0SOL     H2    2   0.020040   0.183204  -0.072426
-    0SOL     H3    3  -0.111772   0.146026  -0.007908
-    1SOL     O4    4   0.046360  -0.113064   0.065710
-    1SOL     H5    5   0.048863  -0.208741   0.067123
-    1SOL     H6    6  -0.016033  -0.091712  -0.003669
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021390  -0.129832  -0.024431
-    0SOL     H2    2  -0.012353  -0.195879  -0.084942
-    0SOL     H3    3   0.116563  -0.136999  -0.031719
-    1SOL     O4    4  -0.022142   0.135666   0.034264
-    1SOL     H5    5  -0.006870   0.055768  -0.016188
-    1SOL     H6    6  -0.083887   0.186079  -0.018731
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130057   0.016466   0.062548
-    0SOL     H2    2  -0.143651  -0.050251  -0.004730
-    0SOL     H3    3  -0.038025   0.041200   0.053568
-    1SOL     O4    4   0.120240  -0.017545  -0.061490
-    1SOL     H5    5   0.188887   0.031028  -0.107213
-    1SOL     H6    6   0.144085  -0.011463   0.031013
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088897  -0.055983  -0.100516
-    0SOL     H2    2   0.036006  -0.084748  -0.174930
-    0SOL     H3    3   0.025047  -0.035159  -0.032312
-    1SOL     O4    4  -0.082412   0.059452   0.094479
-    1SOL     H5    5  -0.150329   0.008383   0.138542
-    1SOL     H6    6  -0.008411   0.058396   0.155184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026030  -0.009500  -0.138095
-    0SOL     H2    2   0.071705  -0.092413  -0.123897
-    0SOL     H3    3   0.095961   0.055389  -0.145928
-    1SOL     O4    4  -0.030896   0.016566   0.140908
-    1SOL     H5    5  -0.091720  -0.050396   0.172194
-    1SOL     H6    6   0.000015  -0.016595   0.056604
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117440  -0.074166  -0.013531
-    0SOL     H2    2   0.079110  -0.161727  -0.018648
-    0SOL     H3    3   0.154243  -0.058955  -0.100575
-    1SOL     O4    4  -0.123560   0.077688   0.019847
-    1SOL     H5    5  -0.054614   0.011290   0.019524
-    1SOL     H6    6  -0.078445   0.159238  -0.001984
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014837   0.069097   0.119639
-    0SOL     H2    2  -0.107225   0.062955   0.143908
-    0SOL     H3    3   0.030746   0.016220   0.185126
-    1SOL     O4    4   0.015058  -0.066333  -0.131249
-    1SOL     H5    5  -0.010830  -0.003111  -0.064204
-    1SOL     H6    6   0.087524  -0.114847  -0.091783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063021   0.041986   0.119247
-    0SOL     H2    2   0.000686  -0.009668   0.168598
-    0SOL     H3    3  -0.034361   0.132611   0.130556
-    1SOL     O4    4   0.059280  -0.040117  -0.128166
-    1SOL     H5    5   0.085646  -0.131661  -0.118845
-    1SOL     H6    6   0.013369  -0.019945  -0.046633
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009837  -0.040538  -0.132495
-    0SOL     H2    2  -0.050175  -0.114797  -0.177447
-    0SOL     H3    3  -0.070961   0.031852  -0.146130
-    1SOL     O4    4   0.011433   0.038383   0.140378
-    1SOL     H5    5   0.080874   0.102763   0.154357
-    1SOL     H6    6   0.020304   0.013085   0.048489
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004558  -0.047586  -0.137932
-    0SOL     H2    2   0.017346  -0.021413  -0.048503
-    0SOL     H3    3   0.080045  -0.064462  -0.179403
-    1SOL     O4    4  -0.000603   0.046422   0.128473
-    1SOL     H5    5  -0.012192  -0.021031   0.195392
-    1SOL     H6    6  -0.009153   0.129079   0.175983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019699   0.144605   0.028851
-    0SOL     H2    2  -0.112255   0.150330   0.005123
-    0SOL     H3    3  -0.000543   0.050823   0.028315
-    1SOL     O4    4   0.022572  -0.137090  -0.021303
-    1SOL     H5    5  -0.036826  -0.171409  -0.088059
-    1SOL     H6    6   0.109454  -0.143327  -0.060990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083031   0.123677  -0.009538
-    0SOL     H2    2  -0.148915   0.095361  -0.072939
-    0SOL     H3    3  -0.020862   0.051009  -0.005454
-    1SOL     O4    4   0.083909  -0.110743   0.014450
-    1SOL     H5    5   0.128427  -0.165939  -0.049845
-    1SOL     H6    6   0.023911  -0.170107   0.059599
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099886   0.096401  -0.055395
-    0SOL     H2    2   0.156381   0.122506   0.017332
-    0SOL     H3    3   0.028198   0.048314  -0.014033
-    1SOL     O4    4  -0.097933  -0.091908   0.054847
-    1SOL     H5    5  -0.066971  -0.178255   0.027500
-    1SOL     H6    6  -0.145396  -0.058252  -0.021158
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073760   0.112064  -0.065480
-    0SOL     H2    2  -0.065681   0.188456  -0.008371
-    0SOL     H3    3  -0.032249   0.041030  -0.016558
-    1SOL     O4    4   0.071894  -0.105413   0.059201
-    1SOL     H5    5   0.006735  -0.151638   0.111924
-    1SOL     H6    6   0.115843  -0.174389   0.009471
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118166  -0.062546   0.052973
-    0SOL     H2    2  -0.085646  -0.142341   0.094657
-    0SOL     H3    3  -0.133333  -0.002020   0.125561
-    1SOL     O4    4   0.116786   0.071654  -0.058662
-    1SOL     H5    5   0.048139   0.008254  -0.037917
-    1SOL     H6    6   0.191151   0.018236  -0.086568
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123467  -0.074007   0.000281
-    0SOL     H2    2   0.080539  -0.159541   0.002149
-    0SOL     H3    3   0.170523  -0.072588  -0.083062
-    1SOL     O4    4  -0.123407   0.083098  -0.000150
-    1SOL     H5    5  -0.060437   0.012040   0.012011
-    1SOL     H6    6  -0.189077   0.068900   0.068028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070040  -0.016971   0.128369
-    0SOL     H2    2   0.023773  -0.100766   0.128519
-    0SOL     H3    3   0.157082  -0.037678   0.094351
-    1SOL     O4    4  -0.073413   0.016256  -0.129022
-    1SOL     H5    5  -0.041686   0.041050  -0.042183
-    1SOL     H6    6  -0.073235   0.097971  -0.178871
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037662   0.075852   0.117006
-    0SOL     H2    2  -0.014311   0.066510   0.196843
-    0SOL     H3    3   0.013410   0.161780   0.082500
-    1SOL     O4    4  -0.039585  -0.080295  -0.119695
-    1SOL     H5    5   0.024105  -0.024323  -0.075276
-    1SOL     H6    6   0.013507  -0.145836  -0.164949
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030898   0.133178  -0.040948
-    0SOL     H2    2   0.006679   0.194593  -0.104023
-    0SOL     H3    3  -0.038000   0.183455   0.040195
-    1SOL     O4    4   0.033252  -0.143898   0.036154
-    1SOL     H5    5  -0.004848  -0.061626   0.005461
-    1SOL     H6    6   0.003078  -0.152039   0.126628
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113179   0.012476  -0.093373
-    0SOL     H2    2  -0.045320   0.029086  -0.158807
-    0SOL     H3    3  -0.178125   0.081217  -0.108169
-    1SOL     O4    4   0.118741  -0.013820   0.099872
-    1SOL     H5    5   0.047393   0.010423   0.040845
-    1SOL     H6    6   0.097457  -0.102815   0.127964
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015082   0.132717   0.081890
-    0SOL     H2    2   0.014762   0.167959  -0.001953
-    0SOL     H3    3  -0.021998   0.038388   0.067177
-    1SOL     O4    4   0.013913  -0.123001  -0.078350
-    1SOL     H5    5   0.083524  -0.176835  -0.040686
-    1SOL     H6    6  -0.062969  -0.180023  -0.078749
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046479  -0.015510   0.147773
-    0SOL     H2    2  -0.086616  -0.102400   0.146583
-    0SOL     H3    3  -0.018143  -0.000926   0.057514
-    1SOL     O4    4   0.043161   0.020614  -0.135795
-    1SOL     H5    5   0.040587  -0.047608  -0.202888
-    1SOL     H6    6   0.110820   0.081288  -0.165847
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019055   0.143310   0.018034
-    0SOL     H2    2   0.031158   0.209686   0.065311
-    0SOL     H3    3  -0.110194   0.161109   0.041254
-    1SOL     O4    4   0.022267  -0.152128  -0.016319
-    1SOL     H5    5   0.034118  -0.057193  -0.019334
-    1SOL     H6    6   0.001129  -0.176548  -0.106426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058255   0.132895   0.036328
-    0SOL     H2    2  -0.109844   0.081844  -0.026080
-    0SOL     H3    3  -0.120622   0.195080   0.073822
-    1SOL     O4    4   0.069143  -0.138583  -0.036492
-    1SOL     H5    5   0.072809  -0.047458  -0.065563
-    1SOL     H6    6  -0.006708  -0.142148   0.021785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022415  -0.088257   0.122385
-    0SOL     H2    2  -0.073281  -0.086291   0.123290
-    0SOL     H3    3   0.048022  -0.048556   0.205635
-    1SOL     O4    4  -0.017914   0.083700  -0.133350
-    1SOL     H5    5   0.039919   0.055075  -0.062651
-    1SOL     H6    6  -0.076041   0.147756  -0.092357
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127996   0.078466   0.050224
-    0SOL     H2    2   0.067342   0.146681   0.021414
-    0SOL     H3    3   0.097756   0.054951   0.137945
-    1SOL     O4    4  -0.127373  -0.078614  -0.050319
-    1SOL     H5    5  -0.034823  -0.088545  -0.027999
-    1SOL     H6    6  -0.134433  -0.113132  -0.139319
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139376  -0.038198  -0.076445
-    0SOL     H2    2  -0.111716   0.023812  -0.143913
-    0SOL     H3    3  -0.070546  -0.033736  -0.010077
-    1SOL     O4    4   0.132537   0.038637   0.071448
-    1SOL     H5    5   0.087451   0.040687   0.155860
-    1SOL     H6    6   0.184507  -0.041708   0.073945
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031057  -0.158359   0.031362
-    0SOL     H2    2  -0.068830  -0.090267  -0.024308
-    0SOL     H3    3  -0.048359  -0.128655   0.120697
-    1SOL     O4    4   0.041217   0.152928  -0.034586
-    1SOL     H5    5  -0.003021   0.166021   0.049282
-    1SOL     H6    6  -0.029041   0.130172  -0.095483
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006728   0.160552  -0.007621
-    0SOL     H2    2   0.055771   0.172276  -0.088982
-    0SOL     H3    3  -0.083620   0.146387  -0.035888
-    1SOL     O4    4  -0.002110  -0.157614   0.020236
-    1SOL     H5    5  -0.048875  -0.114763  -0.051451
-    1SOL     H6    6   0.006002  -0.248853  -0.007549
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099506  -0.097625   0.078960
-    0SOL     H2    2   0.097893  -0.101133   0.174602
-    0SOL     H3    3   0.019652  -0.142959   0.051933
-    1SOL     O4    4  -0.095173   0.106646  -0.084813
-    1SOL     H5    5  -0.155099   0.033420  -0.099275
-    1SOL     H6    6  -0.019379   0.067427  -0.041460
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060849  -0.038288   0.151993
-    0SOL     H2    2  -0.105143  -0.122942   0.157824
-    0SOL     H3    3  -0.032251  -0.032395   0.060835
-    1SOL     O4    4   0.062800   0.044930  -0.141044
-    1SOL     H5    5   0.111811   0.064534  -0.220894
-    1SOL     H6    6  -0.004391  -0.017336  -0.168803
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078658   0.096235   0.114903
-    0SOL     H2    2  -0.028874   0.028901   0.068535
-    0SOL     H3    3  -0.167946   0.061918   0.118413
-    1SOL     O4    4   0.077636  -0.093865  -0.107416
-    1SOL     H5    5   0.148143  -0.029474  -0.100711
-    1SOL     H6    6   0.066396  -0.107435  -0.201500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082979   0.132953   0.046684
-    0SOL     H2    2  -0.172566   0.134464   0.080361
-    0SOL     H3    3  -0.092469   0.147604  -0.047431
-    1SOL     O4    4   0.083119  -0.136239  -0.046358
-    1SOL     H5    5   0.091524  -0.083950   0.033377
-    1SOL     H6    6   0.173306  -0.152629  -0.073926
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069656  -0.116878  -0.091913
-    0SOL     H2    2   0.031463  -0.186292  -0.145628
-    0SOL     H3    3   0.119596  -0.163268  -0.024709
-    1SOL     O4    4  -0.069117   0.126974   0.085577
-    1SOL     H5    5  -0.061938   0.033228   0.103535
-    1SOL     H6    6  -0.101347   0.164691   0.167437
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.160868  -0.047272  -0.035415
-    0SOL     H2    2   0.199437  -0.062615  -0.121667
-    0SOL     H3    3   0.083785  -0.103976  -0.033164
-    1SOL     O4    4  -0.157380   0.046232   0.036098
-    1SOL     H5    5  -0.243122   0.082384   0.058539
-    1SOL     H6    6  -0.095155   0.099578   0.085540
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061011   0.116282   0.113690
-    0SOL     H2    2   0.026002   0.070968   0.036986
-    0SOL     H3    3   0.050549   0.209259   0.093486
-    1SOL     O4    4  -0.057551  -0.124553  -0.105362
-    1SOL     H5    5  -0.111782  -0.051846  -0.074786
-    1SOL     H6    6  -0.025213  -0.096082  -0.190838
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007376   0.128193   0.105978
-    0SOL     H2    2  -0.009997   0.144315   0.200294
-    0SOL     H3    3  -0.077736   0.182463   0.070390
-    1SOL     O4    4   0.012115  -0.135617  -0.104266
-    1SOL     H5    5   0.083001  -0.125137  -0.167730
-    1SOL     H6    6  -0.060937  -0.086234  -0.141509
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.114511  -0.111857   0.076525
-    0SOL     H2    2   0.081130  -0.132784  -0.010711
-    0SOL     H3    3   0.036124  -0.103177   0.130770
-    1SOL     O4    4  -0.109348   0.114534  -0.068542
-    1SOL     H5    5  -0.168234   0.087482  -0.138990
-    1SOL     H6    6  -0.021690   0.106634  -0.106172
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039445  -0.093917  -0.137231
-    0SOL     H2    2   0.005344  -0.144809  -0.063682
-    0SOL     H3    3   0.089372  -0.157070  -0.189013
-    1SOL     O4    4  -0.037111   0.094875   0.139222
-    1SOL     H5    5  -0.113653   0.143601   0.169706
-    1SOL     H6    6  -0.012808   0.137367   0.056966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061052   0.152462  -0.084833
-    0SOL     H2    2   0.021447   0.105919  -0.098620
-    0SOL     H3    3  -0.112571   0.094024  -0.029217
-    1SOL     O4    4   0.054900  -0.151298   0.081548
-    1SOL     H5    5   0.092120  -0.095882   0.012947
-    1SOL     H6    6   0.096221  -0.120601   0.162249
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062519  -0.003917   0.174256
-    0SOL     H2    2  -0.002445  -0.061496   0.133924
-    0SOL     H3    3   0.136781  -0.061204   0.193379
-    1SOL     O4    4  -0.057872   0.008196  -0.177047
-    1SOL     H5    5  -0.098167   0.094999  -0.179011
-    1SOL     H6    6  -0.102638  -0.037437  -0.105801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034557  -0.019811  -0.187000
-    0SOL     H2    2  -0.115707   0.029393  -0.174505
-    0SOL     H3    3  -0.056934  -0.109610  -0.162551
-    1SOL     O4    4   0.037439   0.016470   0.184068
-    1SOL     H5    5   0.047763   0.071090   0.261994
-    1SOL     H6    6   0.082908   0.064519   0.114886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023200   0.106602  -0.151371
-    0SOL     H2    2   0.064267   0.174644  -0.098023
-    0SOL     H3    3   0.025792   0.141217  -0.240576
-    1SOL     O4    4  -0.023784  -0.110871   0.159921
-    1SOL     H5    5  -0.084647  -0.180093   0.134107
-    1SOL     H6    6   0.004476  -0.071714   0.077275
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.191528   0.046472   0.025515
-    0SOL     H2    2  -0.196514  -0.039745   0.066796
-    0SOL     H3    3  -0.276751   0.086404   0.042973
-    1SOL     O4    4   0.191948  -0.042914  -0.025205
-    1SOL     H5    5   0.284616  -0.030861  -0.004478
-    1SOL     H6    6   0.191552  -0.075968  -0.115037
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140209   0.097150  -0.110933
-    0SOL     H2    2  -0.091913   0.014741  -0.104724
-    0SOL     H3    3  -0.212259   0.078271  -0.171055
-    1SOL     O4    4   0.136109  -0.091053   0.109973
-    1SOL     H5    5   0.142414  -0.070304   0.203204
-    1SOL     H6    6   0.222545  -0.125226   0.087094
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007325   0.122194  -0.169613
-    0SOL     H2    2   0.032791   0.122276  -0.082705
-    0SOL     H3    3  -0.101080   0.112797  -0.152759
-    1SOL     O4    4   0.006533  -0.116554   0.165887
-    1SOL     H5    5   0.020967  -0.201903   0.206748
-    1SOL     H6    6   0.060157  -0.118517   0.086623
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059729   0.068279   0.194082
-    0SOL     H2    2  -0.015359   0.089634   0.138692
-    0SOL     H3    3   0.103425  -0.003704   0.148569
-    1SOL     O4    4  -0.058884  -0.071683  -0.188411
-    1SOL     H5    5  -0.015252  -0.019542  -0.255789
-    1SOL     H6    6  -0.088257  -0.007549  -0.123708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028811   0.076133   0.189896
-    0SOL     H2    2   0.116763   0.107038   0.168183
-    0SOL     H3    3   0.035220   0.047599   0.281039
-    1SOL     O4    4  -0.032596  -0.074571  -0.199698
-    1SOL     H5    5  -0.029928  -0.159843  -0.156293
-    1SOL     H6    6  -0.061910  -0.013930  -0.131686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046826   0.184513  -0.102872
-    0SOL     H2    2   0.032202   0.208532  -0.054499
-    0SOL     H3    3  -0.024187   0.199304  -0.194692
-    1SOL     O4    4   0.037393  -0.181258   0.106314
-    1SOL     H5    5   0.036534  -0.236065   0.027843
-    1SOL     H6    6   0.098862  -0.224834   0.165349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122145  -0.168121  -0.101547
-    0SOL     H2    2   0.102034  -0.157986  -0.008514
-    0SOL     H3    3   0.038032  -0.156384  -0.145701
-    1SOL     O4    4  -0.116420   0.169187   0.092439
-    1SOL     H5    5  -0.060207   0.098823   0.124863
-    1SOL     H6    6  -0.166474   0.197165   0.169082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034777   0.219544  -0.062217
-    0SOL     H2    2   0.023071   0.151066  -0.095783
-    0SOL     H3    3  -0.101198   0.230348  -0.130290
-    1SOL     O4    4   0.039784  -0.213893   0.070800
-    1SOL     H5    5  -0.052552  -0.202417   0.093263
-    1SOL     H6    6   0.038894  -0.271284  -0.005802
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029327  -0.162179  -0.180211
-    0SOL     H2    2   0.105012  -0.139289  -0.126266
-    0SOL     H3    3  -0.042113  -0.109002  -0.145128
-    1SOL     O4    4  -0.028316   0.152486   0.170574
-    1SOL     H5    5  -0.074328   0.233740   0.149527
-    1SOL     H6    6  -0.006605   0.160566   0.263449
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051012  -0.242118  -0.025671
-    0SOL     H2    2   0.039149  -0.226687   0.002529
-    0SOL     H3    3  -0.092655  -0.156054  -0.021085
-    1SOL     O4    4   0.043967   0.230335   0.023460
-    1SOL     H5    5   0.137230   0.234284   0.002273
-    1SOL     H6    6   0.021282   0.319836   0.048706
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078025   0.066326  -0.231165
-    0SOL     H2    2   0.090183   0.161271  -0.231026
-    0SOL     H3    3   0.064646   0.043980  -0.323274
-    1SOL     O4    4  -0.078262  -0.068574   0.229560
-    1SOL     H5    5  -0.001484  -0.102686   0.275428
-    1SOL     H6    6  -0.146079  -0.063316   0.296905
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.133424  -0.107019   0.192003
-    0SOL     H2    2  -0.170025  -0.084341   0.106514
-    0SOL     H3    3  -0.209860  -0.122963   0.247370
-    1SOL     O4    4   0.136874   0.111668  -0.192080
-    1SOL     H5    5   0.231955   0.109809  -0.181188
-    1SOL     H6    6   0.108133   0.023856  -0.167074
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080999  -0.165490   0.188983
-    0SOL     H2    2  -0.066178  -0.259468   0.178457
-    0SOL     H3    3  -0.173626  -0.153320   0.168140
-    1SOL     O4    4   0.087848   0.167057  -0.181460
-    1SOL     H5    5   0.035885   0.125015  -0.249977
-    1SOL     H6    6   0.095295   0.258261  -0.209544
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037895   0.273049   0.013295
-    0SOL     H2    2   0.016319   0.287329  -0.078862
-    0SOL     H3    3   0.089869   0.192669   0.013598
-    1SOL     O4    4  -0.038538  -0.263160  -0.011658
-    1SOL     H5    5  -0.117945  -0.288193   0.035568
-    1SOL     H6    6   0.022503  -0.335174   0.004166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062673   0.262013  -0.027084
-    0SOL     H2    2  -0.154205   0.243177  -0.047804
-    0SOL     H3    3  -0.045391   0.346247  -0.069134
-    1SOL     O4    4   0.065094  -0.272266   0.032918
-    1SOL     H5    5   0.054382  -0.190468   0.081464
-    1SOL     H6    6   0.109081  -0.246506  -0.048100
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042795  -0.147482   0.237182
-    0SOL     H2    2   0.076480  -0.078589   0.179900
-    0SOL     H3    3  -0.046606  -0.162616   0.206510
-    1SOL     O4    4  -0.038098   0.144094  -0.238407
-    1SOL     H5    5  -0.101737   0.090714  -0.190836
-    1SOL     H6    6  -0.008628   0.208960  -0.174484
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022659   0.213609  -0.168899
-    0SOL     H2    2   0.081238   0.240300  -0.239740
-    0SOL     H3    3  -0.040747   0.284986  -0.162010
-    1SOL     O4    4  -0.028693  -0.219489   0.169001
-    1SOL     H5    5  -0.006312  -0.257372   0.254008
-    1SOL     H6    6   0.051603  -0.176080   0.140182
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018453   0.259786  -0.118063
-    0SOL     H2    2   0.063925   0.306922  -0.105640
-    0SOL     H3    3  -0.073782   0.320649  -0.167019
-    1SOL     O4    4   0.014757  -0.271114   0.116424
-    1SOL     H5    5  -0.039418  -0.210180   0.166568
-    1SOL     H6    6   0.104424  -0.240775   0.130621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045651  -0.181691   0.247404
-    0SOL     H2    2  -0.049810  -0.182578   0.240434
-    0SOL     H3    3   0.076380  -0.188992   0.157045
-    1SOL     O4    4  -0.039998   0.187291  -0.244625
-    1SOL     H5    5  -0.129066   0.170096  -0.214070
-    1SOL     H6    6   0.009240   0.108857  -0.220418
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082503   0.256735  -0.157156
-    0SOL     H2    2  -0.111840   0.200124  -0.228548
-    0SOL     H3    3  -0.073808   0.343258  -0.197162
-    1SOL     O4    4   0.085380  -0.259320   0.169979
-    1SOL     H5    5   0.052944  -0.178319   0.130621
-    1SOL     H6    6   0.087059  -0.322105   0.097745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116077   0.243886  -0.203017
-    0SOL     H2    2   0.125356   0.334785  -0.231542
-    0SOL     H3    3   0.125812   0.192468  -0.283165
-    1SOL     O4    4  -0.117391  -0.241580   0.213828
-    1SOL     H5    5  -0.047756  -0.304116   0.193764
-    1SOL     H6    6  -0.182071  -0.254619   0.144482
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122643   0.328441   0.119063
-    0SOL     H2    2  -0.218078   0.335799   0.119491
-    0SOL     H3    3  -0.102825   0.269080   0.191491
-    1SOL     O4    4   0.129666  -0.331874  -0.122642
-    1SOL     H5    5   0.158301  -0.255416  -0.172607
-    1SOL     H6    6   0.051695  -0.302094  -0.075781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.190846   0.083988   0.350231
-    0SOL     H2    2  -0.147633   0.012326   0.303759
-    0SOL     H3    3  -0.146233   0.162892   0.319471
-    1SOL     O4    4   0.183168  -0.078720  -0.345010
-    1SOL     H5    5   0.250509  -0.097612  -0.410361
-    1SOL     H6    6   0.169488  -0.162015  -0.299876
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036247   0.388808   0.112403
-    0SOL     H2    2   0.034938   0.330282   0.138282
-    0SOL     H3    3  -0.028495   0.463649   0.171572
-    1SOL     O4    4   0.029180  -0.395407  -0.115889
-    1SOL     H5    5   0.087648  -0.337803  -0.066639
-    1SOL     H6    6   0.008139  -0.346120  -0.195201
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007275  -0.424751  -0.157752
-    0SOL     H2    2  -0.018830  -0.455637  -0.067892
-    0SOL     H3    3   0.019394  -0.333293  -0.148450
-    1SOL     O4    4   0.011607   0.423736   0.155171
-    1SOL     H5    5  -0.009141   0.426974   0.061783
-    1SOL     H6    6  -0.061819   0.376530   0.194446
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.146787  -0.368681   0.237818
-    0SOL     H2    2   0.054745  -0.390711   0.252142
-    0SOL     H3    3   0.190746  -0.453324   0.229731
-    1SOL     O4    4  -0.144925   0.381182  -0.236401
-    1SOL     H5    5  -0.183493   0.336024  -0.311471
-    1SOL     H6    6  -0.088761   0.315546  -0.195173
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048476   0.274103  -0.381861
-    0SOL     H2    2  -0.026378   0.255632  -0.473145
-    0SOL     H3    3  -0.143707   0.283767  -0.381705
-    1SOL     O4    4   0.054371  -0.277516   0.391718
-    1SOL     H5    5  -0.028299  -0.229779   0.384713
-    1SOL     H6    6   0.101707  -0.255434   0.311505
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135583   0.116634   0.486683
-    0SOL     H2    2  -0.158572   0.156180   0.570766
-    0SOL     H3    3  -0.047313   0.148807   0.468364
-    1SOL     O4    4   0.128451  -0.126114  -0.490179
-    1SOL     H5    5   0.097123  -0.038441  -0.512416
-    1SOL     H6    6   0.221089  -0.113939  -0.469387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035521   0.466840  -0.249165
-    0SOL     H2    2  -0.037755   0.432409  -0.198102
-    0SOL     H3    3   0.003889   0.466897  -0.339507
-    1SOL     O4    4  -0.029343  -0.459692   0.255230
-    1SOL     H5    5   0.043437  -0.511871   0.221427
-    1SOL     H6    6  -0.107458  -0.500249   0.217607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002322  -0.488347  -0.373041
-    0SOL     H2    2  -0.082331  -0.460967  -0.408347
-    0SOL     H3    3   0.057466  -0.410394  -0.379740
-    1SOL     O4    4  -0.000872   0.481585   0.368444
-    1SOL     H5    5  -0.063458   0.450557   0.433886
-    1SOL     H6    6   0.063994   0.530839   0.418730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021867  -0.103257   0.054475
-    0SOL     H2    2   0.043436  -0.143598   0.111663
-    0SOL     H3    3  -0.101745  -0.100923   0.107166
-    1SOL     O4    4   0.020988   0.110801  -0.057214
-    1SOL     H5    5   0.062564   0.115892  -0.143283
-    1SOL     H6    6   0.011310   0.017006  -0.040746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016451   0.016625   0.123973
-    0SOL     H2    2  -0.024030   0.062173   0.197790
-    0SOL     H3    3   0.052823  -0.063283   0.162106
-    1SOL     O4    4  -0.022201  -0.016825  -0.132951
-    1SOL     H5    5   0.001412  -0.008333  -0.040579
-    1SOL     H6    6   0.056319   0.010478  -0.180401
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035758   0.093724  -0.093003
-    0SOL     H2    2   0.000896   0.048079  -0.169577
-    0SOL     H3    3   0.015640   0.035934  -0.019397
-    1SOL     O4    4  -0.029598  -0.082186   0.090082
-    1SOL     H5    5   0.016118  -0.162521   0.114955
-    1SOL     H6    6  -0.120650  -0.097610   0.115262
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088654   0.075579   0.070665
-    0SOL     H2    2   0.033254   0.019448   0.016421
-    0SOL     H3    3   0.166285   0.022537   0.088616
-    1SOL     O4    4  -0.089098  -0.067398  -0.061519
-    1SOL     H5    5  -0.062927  -0.148041  -0.105949
-    1SOL     H6    6  -0.124853  -0.012199  -0.131067
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012168  -0.075598  -0.108234
-    0SOL     H2    2   0.073186  -0.118003  -0.099360
-    0SOL     H3    3   0.000183  -0.011149  -0.177921
-    1SOL     O4    4   0.011198   0.072716   0.117020
-    1SOL     H5    5  -0.056596   0.140290   0.116977
-    1SOL     H6    6  -0.002659   0.024767   0.035343
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023901   0.052776  -0.115744
-    0SOL     H2    2   0.008938  -0.002355  -0.192548
-    0SOL     H3    3   0.103218   0.102096  -0.136690
-    1SOL     O4    4  -0.033215  -0.053660   0.124580
-    1SOL     H5    5   0.051223  -0.049005   0.169424
-    1SOL     H6    6  -0.013044  -0.033264   0.033259
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101046   0.080753  -0.028236
-    0SOL     H2    2   0.126764   0.053812  -0.116413
-    0SOL     H3    3   0.072879   0.171692  -0.038185
-    1SOL     O4    4  -0.107376  -0.081618   0.033963
-    1SOL     H5    5  -0.078145  -0.171873   0.046687
-    1SOL     H6    6  -0.026859  -0.032307   0.018226
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042985   0.058003  -0.123476
-    0SOL     H2    2  -0.025205   0.135222  -0.069780
-    0SOL     H3    3  -0.032854  -0.015840  -0.063419
-    1SOL     O4    4   0.035236  -0.058046   0.115805
-    1SOL     H5    5   0.091881   0.016701   0.134953
-    1SOL     H6    6   0.094746  -0.132927   0.112095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042864   0.096867   0.089363
-    0SOL     H2    2   0.000467   0.012207   0.075307
-    0SOL     H3    3  -0.009111   0.138627   0.158043
-    1SOL     O4    4  -0.036792  -0.094943  -0.085555
-    1SOL     H5    5   0.022864  -0.121692  -0.155469
-    1SOL     H6    6  -0.110326  -0.053968  -0.131119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077236   0.004484   0.105156
-    0SOL     H2    2   0.068161  -0.027169   0.195034
-    0SOL     H3    3   0.171750   0.008420   0.090527
-    1SOL     O4    4  -0.085332  -0.008004  -0.112371
-    1SOL     H5    5  -0.018520  -0.008639  -0.043829
-    1SOL     H6    6  -0.097879   0.084665  -0.132798
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.049152  -0.116611  -0.050804
-    0SOL     H2    2   0.056110  -0.105526  -0.145625
-    0SOL     H3    3   0.130511  -0.079828  -0.016307
-    1SOL     O4    4  -0.060500   0.116884   0.054299
-    1SOL     H5    5  -0.031898   0.044445  -0.001349
-    1SOL     H6    6   0.017800   0.141791   0.103402
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112872   0.028053   0.064653
-    0SOL     H2    2  -0.133081  -0.006933  -0.022122
-    0SOL     H3    3  -0.197162   0.058082   0.098649
-    1SOL     O4    4   0.122205  -0.033080  -0.063603
-    1SOL     H5    5   0.133395   0.054665  -0.100180
-    1SOL     H6    6   0.062076  -0.020960   0.009881
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108039  -0.071365   0.052089
-    0SOL     H2    2  -0.056166  -0.028585  -0.016038
-    0SOL     H3    3  -0.131218  -0.156404   0.014760
-    1SOL     O4    4   0.103324   0.073876  -0.039560
-    1SOL     H5    5   0.102175   0.142874  -0.105895
-    1SOL     H6    6   0.156612   0.004359  -0.078162
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052683   0.103804  -0.082872
-    0SOL     H2    2   0.019014   0.169224  -0.021643
-    0SOL     H3    3   0.019707   0.020405  -0.049413
-    1SOL     O4    4  -0.051488  -0.096492   0.079473
-    1SOL     H5    5   0.018047  -0.145362   0.123505
-    1SOL     H6    6  -0.079981  -0.154008   0.008463
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110970   0.046332   0.059173
-    0SOL     H2    2   0.162920   0.050553  -0.021112
-    0SOL     H3    3   0.121514   0.132664   0.099147
-    1SOL     O4    4  -0.117022  -0.057185  -0.053431
-    1SOL     H5    5  -0.033818  -0.011632  -0.040610
-    1SOL     H6    6  -0.160238  -0.008859  -0.123853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032116  -0.102906  -0.090544
-    0SOL     H2    2   0.051169  -0.082412  -0.182083
-    0SOL     H3    3   0.006363  -0.019134  -0.052055
-    1SOL     O4    4  -0.025981   0.094748   0.089252
-    1SOL     H5    5  -0.105765   0.141222   0.064016
-    1SOL     H6    6  -0.036408   0.078308   0.182971
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082878   0.094144  -0.066768
-    0SOL     H2    2  -0.163680   0.046844  -0.086670
-    0SOL     H3    3  -0.026012   0.028579  -0.026397
-    1SOL     O4    4   0.081699  -0.083703   0.061635
-    1SOL     H5    5   0.128054  -0.165529   0.043804
-    1SOL     H6    6   0.085340  -0.074309   0.156824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116221  -0.071497   0.036504
-    0SOL     H2    2  -0.058386  -0.004770  -0.000439
-    0SOL     H3    3  -0.189327  -0.022048   0.073553
-    1SOL     O4    4   0.115436   0.059209  -0.040078
-    1SOL     H5    5   0.167860   0.065880   0.039731
-    1SOL     H6    6   0.090055   0.149387  -0.059727
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062359  -0.046481   0.117096
-    0SOL     H2    2  -0.030735  -0.044608   0.026770
-    0SOL     H3    3  -0.096321  -0.135206   0.128797
-    1SOL     O4    4   0.057461   0.047127  -0.112339
-    1SOL     H5    5   0.059441   0.135013  -0.150214
-    1SOL     H6    6   0.146683   0.032531  -0.080895
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011575  -0.115654   0.081728
-    0SOL     H2    2  -0.015390  -0.066092   0.004405
-    0SOL     H3    3  -0.070541  -0.140019   0.124455
-    1SOL     O4    4  -0.001316   0.109468  -0.076297
-    1SOL     H5    5  -0.041588   0.190304  -0.044579
-    1SOL     H6    6  -0.023936   0.106254  -0.169251
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044974  -0.084034  -0.105823
-    0SOL     H2    2   0.010676  -0.093504  -0.183126
-    0SOL     H3    3  -0.007602  -0.009828  -0.058293
-    1SOL     O4    4   0.035075   0.077405   0.103667
-    1SOL     H5    5   0.037715   0.166802   0.137777
-    1SOL     H6    6   0.114148   0.036125   0.138391
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063890   0.041489   0.111331
-    0SOL     H2    2  -0.153576   0.043355   0.144726
-    0SOL     H3    3  -0.037743   0.133494   0.107622
-    1SOL     O4    4   0.074048  -0.049315  -0.111651
-    1SOL     H5    5   0.025548  -0.057383  -0.193779
-    1SOL     H6    6   0.013853  -0.004045  -0.052579
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023306  -0.128831  -0.058221
-    0SOL     H2    2   0.049711  -0.040313  -0.033127
-    0SOL     H3    3  -0.003355  -0.120865  -0.149808
-    1SOL     O4    4  -0.022085   0.118562   0.057980
-    1SOL     H5    5   0.017848   0.205009   0.048259
-    1SOL     H6    6  -0.079087   0.126916   0.134421
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122825   0.058186   0.018261
-    0SOL     H2    2  -0.187557   0.049130  -0.051668
-    0SOL     H3    3  -0.088030   0.146699   0.007439
-    1SOL     O4    4   0.130045  -0.063437  -0.009515
-    1SOL     H5    5   0.123380  -0.085305  -0.102465
-    1SOL     H6    6   0.043220  -0.030479   0.013671
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110460   0.089621   0.020669
-    0SOL     H2    2   0.055476   0.017477  -0.009898
-    0SOL     H3    3   0.178352   0.047413   0.073314
-    1SOL     O4    4  -0.105934  -0.084867  -0.017610
-    1SOL     H5    5  -0.185814  -0.037679   0.005941
-    1SOL     H6    6  -0.111607  -0.095772  -0.112538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016285   0.098899  -0.089164
-    0SOL     H2    2  -0.012673   0.187695  -0.068210
-    0SOL     H3    3   0.053596   0.105933  -0.177032
-    1SOL     O4    4  -0.011509  -0.107564   0.095350
-    1SOL     H5    5  -0.102933  -0.135905   0.096266
-    1SOL     H6    6  -0.013457  -0.021588   0.053317
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036090   0.077392   0.104050
-    0SOL     H2    2   0.031249   0.048728   0.195249
-    0SOL     H3    3   0.116208   0.129571   0.099514
-    1SOL     O4    4  -0.043781  -0.076419  -0.114491
-    1SOL     H5    5  -0.022124  -0.167553  -0.094796
-    1SOL     H6    6  -0.009616  -0.026991  -0.039980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011860   0.110890  -0.095369
-    0SOL     H2    2  -0.088376   0.066751  -0.132238
-    0SOL     H3    3   0.028248   0.045542  -0.038068
-    1SOL     O4    4   0.018971  -0.105105   0.089050
-    1SOL     H5    5  -0.063858  -0.152999   0.091853
-    1SOL     H6    6   0.019577  -0.053471   0.169647
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058186   0.122895   0.006238
-    0SOL     H2    2  -0.065913   0.163318   0.092659
-    0SOL     H3    3  -0.048651   0.196671  -0.053999
-    1SOL     O4    4   0.055576  -0.133935  -0.003745
-    1SOL     H5    5   0.017963  -0.049749  -0.029439
-    1SOL     H6    6   0.140962  -0.136258  -0.046944
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033876   0.106472  -0.083055
-    0SOL     H2    2  -0.064226   0.062316  -0.162373
-    0SOL     H3    3  -0.113842   0.138534  -0.041344
-    1SOL     O4    4   0.037846  -0.111816   0.086398
-    1SOL     H5    5  -0.005450  -0.035211   0.048721
-    1SOL     H6    6   0.127230  -0.082543   0.104173
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047378  -0.136343  -0.020735
-    0SOL     H2    2   0.024077  -0.046296   0.001871
-    0SOL     H3    3   0.100257  -0.128243  -0.100111
-    1SOL     O4    4  -0.045679   0.125324   0.021034
-    1SOL     H5    5  -0.057746   0.212911  -0.015644
-    1SOL     H6    6  -0.088791   0.128913   0.106420
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052774  -0.123102  -0.027799
-    0SOL     H2    2   0.008370  -0.191736  -0.077597
-    0SOL     H3    3   0.107277  -0.170478   0.035028
-    1SOL     O4    4  -0.056554   0.130466   0.033260
-    1SOL     H5    5  -0.070718   0.170088  -0.052716
-    1SOL     H6    6   0.008567   0.062054   0.017722
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124755   0.023601  -0.073247
-    0SOL     H2    2   0.088609   0.037963  -0.160709
-    0SOL     H3    3   0.049990  -0.005041  -0.020787
-    1SOL     O4    4  -0.113746  -0.026238   0.071680
-    1SOL     H5    5  -0.200848  -0.054614   0.099435
-    1SOL     H6    6  -0.106362   0.063587   0.103919
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124974   0.041338   0.039464
-    0SOL     H2    2  -0.149978   0.062874  -0.050388
-    0SOL     H3    3  -0.204467   0.056123   0.090694
-    1SOL     O4    4   0.137068  -0.044822  -0.036037
-    1SOL     H5    5   0.090241  -0.068076  -0.116216
-    1SOL     H6    6   0.073115   0.004022   0.015797
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113721  -0.078012  -0.001362
-    0SOL     H2    2  -0.145341  -0.168269  -0.005403
-    0SOL     H3    3  -0.165804  -0.037416   0.067930
-    1SOL     O4    4   0.121690   0.080483  -0.007893
-    1SOL     H5    5   0.039542   0.036038   0.013051
-    1SOL     H6    6   0.144249   0.128124   0.072005
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111124  -0.085814   0.053644
-    0SOL     H2    2   0.028676  -0.054517   0.016426
-    0SOL     H3    3   0.126656  -0.028771   0.128925
-    1SOL     O4    4  -0.104950   0.074044  -0.056206
-    1SOL     H5    5  -0.197016   0.100201  -0.057650
-    1SOL     H6    6  -0.056647   0.156522  -0.051049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000199   0.074937   0.120816
-    0SOL     H2    2   0.068246   0.116931   0.173432
-    0SOL     H3    3  -0.047764   0.147657   0.081147
-    1SOL     O4    4  -0.006314  -0.086073  -0.122622
-    1SOL     H5    5   0.063302  -0.061009  -0.183348
-    1SOL     H6    6   0.007378  -0.030270  -0.046066
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095865   0.093571  -0.070128
-    0SOL     H2    2  -0.165379   0.030351  -0.088385
-    0SOL     H3    3  -0.022525   0.040355  -0.039277
-    1SOL     O4    4   0.088959  -0.088448   0.066917
-    1SOL     H5    5   0.117231  -0.077088   0.157658
-    1SOL     H6    6   0.166249  -0.066716   0.014799
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013721   0.107455  -0.104944
-    0SOL     H2    2  -0.033330   0.052557  -0.180865
-    0SOL     H3    3   0.002620   0.045327  -0.033984
-    1SOL     O4    4   0.013922  -0.096079   0.101218
-    1SOL     H5    5  -0.059018  -0.156926   0.113039
-    1SOL     H6    6   0.082858  -0.129854   0.158396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042923  -0.122319   0.061197
-    0SOL     H2    2   0.091574  -0.102166   0.141130
-    0SOL     H3    3   0.031742  -0.217363   0.063226
-    1SOL     O4    4  -0.041762   0.132524  -0.068241
-    1SOL     H5    5  -0.136141   0.120054  -0.058277
-    1SOL     H6    6  -0.003471   0.049439  -0.040083
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111808  -0.045528  -0.090882
-    0SOL     H2    2  -0.077822   0.013976  -0.157714
-    0SOL     H3    3  -0.160874   0.010950  -0.031175
-    1SOL     O4    4   0.113901   0.045191   0.095238
-    1SOL     H5    5   0.167925  -0.031781   0.077377
-    1SOL     H6    6   0.034018   0.030736   0.044522
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063224  -0.114780   0.082480
-    0SOL     H2    2  -0.011550  -0.127214   0.140932
-    0SOL     H3    3   0.047185  -0.030187   0.040658
-    1SOL     O4    4  -0.052469   0.105651  -0.083012
-    1SOL     H5    5  -0.046850   0.200627  -0.072513
-    1SOL     H6    6  -0.144881   0.088983  -0.101571
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031666  -0.050268   0.131614
-    0SOL     H2    2   0.114145  -0.021935   0.171071
-    0SOL     H3    3  -0.014034  -0.096319   0.201993
-    1SOL     O4    4  -0.033555   0.049552  -0.144361
-    1SOL     H5    5  -0.022469  -0.010479  -0.070633
-    1SOL     H6    6  -0.048573   0.134920  -0.103751
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056888  -0.128348   0.039989
-    0SOL     H2    2   0.106140  -0.210179   0.033655
-    0SOL     H3    3   0.071162  -0.098641   0.129857
-    1SOL     O4    4  -0.057790   0.135135  -0.049435
-    1SOL     H5    5  -0.143124   0.141597  -0.006555
-    1SOL     H6    6  -0.015720   0.059833  -0.007937
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054036   0.130796   0.041413
-    0SOL     H2    2  -0.047981   0.221127   0.072493
-    0SOL     H3    3  -0.080352   0.080591   0.118544
-    1SOL     O4    4   0.050261  -0.137090  -0.050298
-    1SOL     H5    5   0.040017  -0.052222  -0.007232
-    1SOL     H6    6   0.144743  -0.152424  -0.050946
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085891  -0.041813   0.113722
-    0SOL     H2    2   0.100696   0.032239   0.172540
-    0SOL     H3    3   0.032054  -0.102460   0.164573
-    1SOL     O4    4  -0.088577   0.036385  -0.121155
-    1SOL     H5    5  -0.008751   0.028674  -0.068899
-    1SOL     H6    6  -0.083625   0.123828  -0.159775
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029477   0.153516  -0.015879
-    0SOL     H2    2  -0.068304   0.178691   0.067913
-    0SOL     H3    3  -0.003397   0.062216  -0.003779
-    1SOL     O4    4   0.035461  -0.149662   0.007490
-    1SOL     H5    5  -0.054812  -0.154768  -0.023926
-    1SOL     H6    6   0.027771  -0.150803   0.102894
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124682  -0.066640  -0.079509
-    0SOL     H2    2   0.115554   0.009903  -0.022761
-    0SOL     H3    3   0.034792  -0.094961  -0.096246
-    1SOL     O4    4  -0.116049   0.069247   0.073255
-    1SOL     H5    5  -0.209902   0.058782   0.088892
-    1SOL     H6    6  -0.075209  -0.000116   0.125054
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069111   0.023208   0.145144
-    0SOL     H2    2  -0.003716  -0.035220   0.124055
-    0SOL     H3    3   0.140590  -0.006189   0.088674
-    1SOL     O4    4  -0.064133  -0.012773  -0.141628
-    1SOL     H5    5  -0.090339  -0.083874  -0.200110
-    1SOL     H6    6  -0.117224  -0.025558  -0.063014
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080730  -0.018603  -0.133842
-    0SOL     H2    2   0.157449   0.025293  -0.170580
-    0SOL     H3    3   0.014953   0.050503  -0.126103
-    1SOL     O4    4  -0.079414   0.017595   0.140044
-    1SOL     H5    5  -0.091730   0.025506   0.045450
-    1SOL     H6    6  -0.101549  -0.073455   0.159596
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123783   0.102112  -0.019039
-    0SOL     H2    2  -0.205271   0.059612  -0.045793
-    0SOL     H3    3  -0.062337   0.029943  -0.005689
-    1SOL     O4    4   0.125786  -0.095224   0.026353
-    1SOL     H5    5   0.182677  -0.066403  -0.045026
-    1SOL     H6    6   0.053139  -0.139693  -0.017321
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.160035  -0.004643   0.026499
-    0SOL     H2    2   0.168267  -0.014519   0.121352
-    0SOL     H3    3   0.080435  -0.052886   0.004166
-    1SOL     O4    4  -0.156292   0.013912  -0.026872
-    1SOL     H5    5  -0.190984  -0.003256  -0.114416
-    1SOL     H6    6  -0.119798  -0.069956   0.001353
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027372   0.112722  -0.115608
-    0SOL     H2    2   0.027615   0.046290  -0.074069
-    0SOL     H3    3  -0.095829   0.062791  -0.160139
-    1SOL     O4    4   0.031549  -0.102095   0.112849
-    1SOL     H5    5  -0.011656  -0.179491   0.076716
-    1SOL     H6    6   0.009527  -0.103604   0.205989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015021   0.135672  -0.090410
-    0SOL     H2    2  -0.007036   0.061634  -0.030269
-    0SOL     H3    3   0.060401   0.191103  -0.070380
-    1SOL     O4    4   0.008641  -0.128497   0.083108
-    1SOL     H5    5  -0.049414  -0.193137   0.123278
-    1SOL     H6    6   0.095401  -0.168790   0.086472
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096597   0.105746   0.056885
-    0SOL     H2    2  -0.128093   0.178462   0.003195
-    0SOL     H3    3  -0.173782   0.076519   0.105367
-    1SOL     O4    4   0.106672  -0.105282  -0.061637
-    1SOL     H5    5   0.023281  -0.078280  -0.023178
-    1SOL     H6    6   0.130948  -0.184246  -0.013287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126673  -0.100244   0.012230
-    0SOL     H2    2  -0.091609  -0.011406   0.005856
-    0SOL     H3    3  -0.203985  -0.091586   0.067999
-    1SOL     O4    4   0.122994   0.092167  -0.018000
-    1SOL     H5    5   0.156143   0.181778  -0.023772
-    1SOL     H6    6   0.184051   0.047734   0.040821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054676   0.002996   0.154618
-    0SOL     H2    2   0.083081   0.089138   0.124040
-    0SOL     H3    3  -0.040740   0.005203   0.147323
-    1SOL     O4    4  -0.048940  -0.004087  -0.147275
-    1SOL     H5    5  -0.051706  -0.099761  -0.148395
-    1SOL     H6    6  -0.080265   0.021842  -0.233928
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066450   0.100139   0.109145
-    0SOL     H2    2   0.111961   0.073257   0.188947
-    0SOL     H3    3  -0.013320   0.142926   0.140264
-    1SOL     O4    4  -0.061555  -0.105912  -0.118592
-    1SOL     H5    5  -0.153835  -0.081761  -0.126558
-    1SOL     H6    6  -0.025692  -0.043260  -0.055736
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056917  -0.157062   0.053404
-    0SOL     H2    2  -0.000615  -0.079849   0.047875
-    0SOL     H3    3  -0.127839  -0.139527  -0.008443
-    1SOL     O4    4   0.051510   0.151138  -0.047084
-    1SOL     H5    5   0.086924   0.124166  -0.131823
-    1SOL     H6    6   0.127438   0.183317   0.001515
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132537  -0.101024  -0.039598
-    0SOL     H2    2  -0.061344  -0.069132  -0.095066
-    0SOL     H3    3  -0.155235  -0.186416  -0.076414
-    1SOL     O4    4   0.129798   0.107875   0.051430
-    1SOL     H5    5   0.121502   0.141598  -0.037768
-    1SOL     H6    6   0.132666   0.012773   0.040962
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101879   0.034253  -0.146946
-    0SOL     H2    2  -0.102599  -0.017693  -0.066550
-    0SOL     H3    3  -0.149660   0.114065  -0.124378
-    1SOL     O4    4   0.100240  -0.031054   0.140480
-    1SOL     H5    5   0.104702  -0.114219   0.093300
-    1SOL     H6    6   0.175820  -0.032686   0.199194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016759  -0.173877  -0.065293
-    0SOL     H2    2  -0.077545  -0.102277  -0.046828
-    0SOL     H3    3   0.069331  -0.132133  -0.068162
-    1SOL     O4    4   0.015407   0.160197   0.063779
-    1SOL     H5    5   0.017901   0.223322  -0.008133
-    1SOL     H6    6   0.012337   0.214027   0.142869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.082853   0.067578  -0.146494
-    0SOL     H2    2   0.053001   0.104714  -0.229513
-    0SOL     H3    3   0.041679   0.122238  -0.079568
-    1SOL     O4    4  -0.077940  -0.069054   0.152917
-    1SOL     H5    5  -0.160101  -0.084378   0.106258
-    1SOL     H6    6  -0.012541  -0.118067   0.103088
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076690  -0.009569  -0.173866
-    0SOL     H2    2   0.008242  -0.053608  -0.224240
-    0SOL     H3    3   0.070731  -0.048128  -0.086458
-    1SOL     O4    4  -0.067164   0.018226   0.169810
-    1SOL     H5    5  -0.086267  -0.019969   0.255475
-    1SOL     H6    6  -0.139555  -0.010377   0.114098
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063616  -0.106636   0.142465
-    0SOL     H2    2   0.079722  -0.106432   0.236820
-    0SOL     H3    3   0.098148  -0.190697   0.112406
-    1SOL     O4    4  -0.071122   0.108316  -0.150053
-    1SOL     H5    5  -0.042522   0.087628  -0.061079
-    1SOL     H6    6  -0.019780   0.185324  -0.174468
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016633  -0.027553  -0.195387
-    0SOL     H2    2  -0.105805  -0.041888  -0.227090
-    0SOL     H3    3   0.035474  -0.094964  -0.239011
-    1SOL     O4    4   0.014422   0.036759   0.201386
-    1SOL     H5    5   0.009827  -0.056432   0.222756
-    1SOL     H6    6   0.090047   0.044337   0.143199
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111576  -0.157556  -0.079712
-    0SOL     H2    2   0.066928  -0.119484  -0.155339
-    0SOL     H3    3   0.201361  -0.124966  -0.085938
-    1SOL     O4    4  -0.112924   0.154326   0.089370
-    1SOL     H5    5  -0.118825   0.073952   0.037721
-    1SOL     H6    6  -0.123698   0.224767   0.025461
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.115066   0.098789   0.151282
-    0SOL     H2    2   0.094088   0.023816   0.095593
-    0SOL     H3    3   0.179911   0.065286   0.213209
-    1SOL     O4    4  -0.118388  -0.086288  -0.153155
-    1SOL     H5    5  -0.071782  -0.125319  -0.079217
-    1SOL     H6    6  -0.151842  -0.161093  -0.202626
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075419   0.195530   0.049114
-    0SOL     H2    2   0.091485   0.102146   0.062666
-    0SOL     H3    3   0.054953   0.229264   0.136324
-    1SOL     O4    4  -0.074686  -0.196563  -0.050507
-    1SOL     H5    5  -0.152441  -0.148161  -0.078324
-    1SOL     H6    6  -0.004227  -0.162518  -0.105632
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060056   0.131401   0.165257
-    0SOL     H2    2  -0.153606   0.116609   0.179109
-    0SOL     H3    3  -0.046994   0.223848   0.186356
-    1SOL     O4    4   0.062156  -0.141682  -0.168562
-    1SOL     H5    5   0.041545  -0.057286  -0.208747
-    1SOL     H6    6   0.127449  -0.121100  -0.101662
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011247   0.187467   0.123240
-    0SOL     H2    2   0.022334   0.237651   0.197510
-    0SOL     H3    3  -0.024682   0.252587   0.054383
-    1SOL     O4    4   0.011091  -0.193165  -0.130038
-    1SOL     H5    5   0.022987  -0.277418  -0.086195
-    1SOL     H6    6  -0.019974  -0.134431  -0.061135
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024859   0.143792   0.179848
-    0SOL     H2    2  -0.032514   0.171711   0.108495
-    0SOL     H3    3   0.006248   0.205073   0.250986
-    1SOL     O4    4  -0.026132  -0.149128  -0.177244
-    1SOL     H5    5   0.025898  -0.224970  -0.203762
-    1SOL     H6    6   0.029032  -0.073720  -0.198048
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014157  -0.235685  -0.052866
-    0SOL     H2    2   0.100487  -0.198190  -0.070289
-    0SOL     H3    3  -0.012798  -0.273731  -0.136461
-    1SOL     O4    4  -0.016070   0.238965   0.064309
-    1SOL     H5    5  -0.012176   0.265022  -0.027714
-    1SOL     H6    6  -0.048570   0.148951   0.062408
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095345   0.211305  -0.064534
-    0SOL     H2    2   0.131720   0.228093  -0.151467
-    0SOL     H3    3   0.062111   0.296281  -0.035606
-    1SOL     O4    4  -0.097014  -0.222424   0.071416
-    1SOL     H5    5  -0.028628  -0.158258   0.090611
-    1SOL     H6    6  -0.138845  -0.189806  -0.008263
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.188460   0.099930  -0.121332
-    0SOL     H2    2  -0.265270   0.098486  -0.178433
-    0SOL     H3    3  -0.142107   0.018621  -0.141398
-    1SOL     O4    4   0.192910  -0.097270   0.120557
-    1SOL     H5    5   0.199033  -0.011114   0.161811
-    1SOL     H6    6   0.135744  -0.147621   0.178514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056215   0.038794  -0.250030
-    0SOL     H2    2  -0.149983   0.028684  -0.233668
-    0SOL     H3    3  -0.020151   0.067362  -0.166092
-    1SOL     O4    4   0.061380  -0.034772   0.250026
-    1SOL     H5    5  -0.008659  -0.025115   0.185499
-    1SOL     H6    6   0.099485  -0.120587   0.231423
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020177  -0.144501   0.203818
-    0SOL     H2    2  -0.013694  -0.229130   0.233026
-    0SOL     H3    3   0.082965  -0.119138   0.271469
-    1SOL     O4    4  -0.018338   0.147830  -0.203198
-    1SOL     H5    5  -0.004501   0.208525  -0.275909
-    1SOL     H6    6  -0.088897   0.090406  -0.232967
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024881   0.184149   0.184495
-    0SOL     H2    2  -0.026053   0.212950   0.108742
-    0SOL     H3    3   0.002238   0.246306   0.253676
-    1SOL     O4    4  -0.017527  -0.194822  -0.186134
-    1SOL     H5    5  -0.019970  -0.109847  -0.230130
-    1SOL     H6    6  -0.071190  -0.182831  -0.107783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035414  -0.169463  -0.200021
-    0SOL     H2    2   0.029015  -0.238049  -0.217552
-    0SOL     H3    3  -0.119969  -0.211181  -0.216526
-    1SOL     O4    4   0.037672   0.182015   0.204029
-    1SOL     H5    5   0.073284   0.101933   0.242513
-    1SOL     H6    6  -0.012893   0.151932   0.128527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.144575   0.200755  -0.207561
-    0SOL     H2    2  -0.063188   0.153441  -0.224877
-    0SOL     H3    3  -0.212613   0.147211  -0.248380
-    1SOL     O4    4   0.143411  -0.196258   0.217115
-    1SOL     H5    5   0.114460  -0.258879   0.150762
-    1SOL     H6    6   0.179903  -0.123332   0.166990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104055  -0.186354   0.262027
-    0SOL     H2    2  -0.034691  -0.233616   0.216014
-    0SOL     H3    3  -0.180064  -0.244307   0.256893
-    1SOL     O4    4   0.105927   0.197953  -0.261099
-    1SOL     H5    5   0.027371   0.149158  -0.285806
-    1SOL     H6    6   0.156838   0.136377  -0.208386
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.098739   0.223841  -0.294716
-    0SOL     H2    2   0.105635   0.194095  -0.385434
-    0SOL     H3    3   0.175862   0.279003  -0.281618
-    1SOL     O4    4  -0.105108  -0.231545   0.299956
-    1SOL     H5    5  -0.067154  -0.169463   0.362146
-    1SOL     H6    6  -0.111685  -0.182467   0.218039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.184362   0.096564  -0.341259
-    0SOL     H2    2  -0.175633   0.001440  -0.347376
-    0SOL     H3    3  -0.113805   0.123403  -0.282406
-    1SOL     O4    4   0.181223  -0.098813   0.335312
-    1SOL     H5    5   0.237680  -0.041460   0.387133
-    1SOL     H6    6   0.098104  -0.051710   0.329406
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100192   0.384520   0.032457
-    0SOL     H2    2  -0.134297   0.372713  -0.056198
-    0SOL     H3    3  -0.014121   0.424486   0.019934
-    1SOL     O4    4   0.096383  -0.379885  -0.026142
-    1SOL     H5    5   0.059049  -0.435811  -0.094266
-    1SOL     H6    6   0.143272  -0.440270   0.031454
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061505  -0.298810   0.273539
-    0SOL     H2    2  -0.134213  -0.343592   0.230291
-    0SOL     H3    3   0.011720  -0.307450   0.212500
-    1SOL     O4    4   0.059632   0.307068  -0.271246
-    1SOL     H5    5   0.092196   0.303719  -0.181298
-    1SOL     H6    6   0.055476   0.215462  -0.298691
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065045   0.426656  -0.091579
-    0SOL     H2    2   0.135824   0.455890  -0.149007
-    0SOL     H3    3   0.004000   0.500349  -0.089302
-    1SOL     O4    4  -0.064672  -0.434760   0.100774
-    1SOL     H5    5  -0.001405  -0.392976   0.042347
-    1SOL     H6    6  -0.147096  -0.432940   0.052140
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149776   0.215216   0.416414
-    0SOL     H2    2   0.112629   0.210282   0.328334
-    0SOL     H3    3   0.093442   0.158824   0.469412
-    1SOL     O4    4  -0.146267  -0.213013  -0.421642
-    1SOL     H5    5  -0.078733  -0.160744  -0.378407
-    1SOL     H6    6  -0.196234  -0.251819  -0.349810
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.354059   0.194588   0.301322
-    0SOL     H2    2  -0.289194   0.196375   0.371690
-    0SOL     H3    3  -0.431282   0.154172   0.340887
-    1SOL     O4    4   0.354020  -0.194120  -0.301196
-    1SOL     H5    5   0.379109  -0.108134  -0.334949
-    1SOL     H6    6   0.342645  -0.248197  -0.379354
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012332  -0.499334  -0.303699
-    0SOL     H2    2   0.023638  -0.594254  -0.308665
-    0SOL     H3    3   0.096377  -0.466810  -0.271435
-    1SOL     O4    4  -0.022377   0.498552   0.302651
-    1SOL     H5    5   0.068035   0.479250   0.327459
-    1SOL     H6    6  -0.019856   0.588915   0.271179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.908233   0.695259  -0.126735
-    0SOL     H2    2   0.915321   0.783008  -0.089156
-    0SOL     H3    3   0.828346   0.659098  -0.088357
-    1SOL     O4    4  -0.902431  -0.696554   0.128781
-    1SOL     H5    5  -0.841801  -0.709064   0.055776
-    1SOL     H6    6  -0.989160  -0.709698   0.090470
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043844  -0.107520   0.062896
-    0SOL     H2    2   0.018481  -0.020897   0.031029
-    0SOL     H3    3   0.107619  -0.089917   0.132071
-    1SOL     O4    4  -0.040385   0.097219  -0.065390
-    1SOL     H5    5  -0.044610   0.177033  -0.012719
-    1SOL     H6    6  -0.126391   0.091341  -0.106994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054426   0.102295   0.061961
-    0SOL     H2    2   0.031166   0.013134   0.036047
-    0SOL     H3    3   0.141411   0.094009   0.101041
-    1SOL     O4    4  -0.057741  -0.092671  -0.057601
-    1SOL     H5    5  -0.054867  -0.062721  -0.148470
-    1SOL     H6    6  -0.070215  -0.187364  -0.063926
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007458   0.007848  -0.125150
-    0SOL     H2    2   0.050241  -0.062460  -0.174024
-    0SOL     H3    3   0.071958   0.078552  -0.123399
-    1SOL     O4    4  -0.009564  -0.011254   0.129431
-    1SOL     H5    5  -0.031544   0.018543   0.041163
-    1SOL     H6    6  -0.076117   0.028626   0.185491
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041639   0.115328  -0.014127
-    0SOL     H2    2   0.009029   0.161967  -0.091092
-    0SOL     H3    3   0.101651   0.177063   0.027703
-    1SOL     O4    4  -0.045483  -0.123721   0.021812
-    1SOL     H5    5  -0.030894  -0.167835  -0.061875
-    1SOL     H6    6  -0.019004  -0.033087   0.006101
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026691  -0.033635   0.117029
-    0SOL     H2    2  -0.095713  -0.082338   0.162044
-    0SOL     H3    3   0.054793  -0.072137   0.149283
-    1SOL     O4    4   0.026668   0.035950  -0.127985
-    1SOL     H5    5   0.023825  -0.007248  -0.042614
-    1SOL     H6    6   0.019974   0.129296  -0.107883
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040106   0.104866  -0.074637
-    0SOL     H2    2   0.134544   0.119534  -0.079986
-    0SOL     H3    3   0.029830   0.039718  -0.005265
-    1SOL     O4    4  -0.048362  -0.097136   0.074049
-    1SOL     H5    5  -0.075875  -0.140509  -0.006723
-    1SOL     H6    6   0.035669  -0.137594   0.095592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064689  -0.063824   0.090603
-    0SOL     H2    2  -0.018947  -0.119508   0.153605
-    0SOL     H3    3  -0.117464  -0.124571   0.038768
-    1SOL     O4    4   0.062294   0.076810  -0.092815
-    1SOL     H5    5   0.136886   0.035581  -0.136387
-    1SOL     H6    6   0.037249   0.014821  -0.024313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003318  -0.081150   0.100630
-    0SOL     H2    2   0.087306  -0.124533   0.085586
-    0SOL     H3    3  -0.008672  -0.084324   0.195543
-    1SOL     O4    4  -0.011224   0.087650  -0.108228
-    1SOL     H5    5  -0.034319   0.033263  -0.032922
-    1SOL     H6    6   0.082042   0.071142  -0.122053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037055  -0.102224  -0.079733
-    0SOL     H2    2  -0.025081  -0.072835  -0.170039
-    0SOL     H3    3   0.050424  -0.128736  -0.051324
-    1SOL     O4    4   0.036132   0.106701   0.084351
-    1SOL     H5    5  -0.028412   0.078877   0.149329
-    1SOL     H6    6   0.013945   0.056940   0.005650
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056314   0.081857  -0.083894
-    0SOL     H2    2   0.111243   0.032913  -0.145127
-    0SOL     H3    3   0.040203   0.165453  -0.127650
-    1SOL     O4    4  -0.058769  -0.084842   0.096388
-    1SOL     H5    5  -0.003088  -0.024037   0.047760
-    1SOL     H6    6  -0.108176  -0.131364   0.028882
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002763   0.130675  -0.007511
-    0SOL     H2    2   0.062312   0.198823   0.023666
-    0SOL     H3    3   0.006861   0.137039  -0.102931
-    1SOL     O4    4  -0.007054  -0.140130   0.005952
-    1SOL     H5    5   0.021629  -0.048843   0.003433
-    1SOL     H6    6  -0.030862  -0.155290   0.097416
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092391  -0.033141   0.087317
-    0SOL     H2    2   0.167591  -0.060284   0.034682
-    0SOL     H3    3   0.103466  -0.079160   0.170515
-    1SOL     O4    4  -0.095130   0.040483  -0.093749
-    1SOL     H5    5  -0.177471  -0.006501  -0.080524
-    1SOL     H6    6  -0.043952   0.021841  -0.015037
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028876  -0.010718   0.137526
-    0SOL     H2    2   0.019739   0.078242   0.171658
-    0SOL     H3    3   0.021329  -0.000898   0.042611
-    1SOL     O4    4  -0.027568   0.010279  -0.130540
-    1SOL     H5    5   0.035993  -0.012462  -0.198401
-    1SOL     H6    6  -0.092327  -0.060135  -0.133748
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098136  -0.104339   0.009312
-    0SOL     H2    2  -0.022699  -0.046740  -0.003096
-    0SOL     H3    3  -0.171726  -0.044789   0.023473
-    1SOL     O4    4   0.097668   0.090712  -0.011936
-    1SOL     H5    5   0.099711   0.119218   0.079418
-    1SOL     H6    6   0.109344   0.171176  -0.062450
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023798   0.116451  -0.061869
-    0SOL     H2    2   0.112363   0.143491  -0.086106
-    0SOL     H3    3  -0.005032   0.182444   0.001187
-    1SOL     O4    4  -0.023107  -0.127633   0.058960
-    1SOL     H5    5  -0.018217  -0.044307   0.012107
-    1SOL     H6    6  -0.098304  -0.117936   0.117387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021198   0.105782  -0.094962
-    0SOL     H2    2  -0.069376   0.103182  -0.125815
-    0SOL     H3    3   0.019750   0.057702  -0.012206
-    1SOL     O4    4  -0.012518  -0.097218   0.090728
-    1SOL     H5    5  -0.107294  -0.110590   0.091759
-    1SOL     H6    6   0.024009  -0.182496   0.114304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026059   0.129146  -0.027797
-    0SOL     H2    2   0.067719   0.139528  -0.113348
-    0SOL     H3    3  -0.034561   0.202956  -0.021509
-    1SOL     O4    4  -0.028606  -0.135116   0.038047
-    1SOL     H5    5   0.009130  -0.200370  -0.020948
-    1SOL     H6    6  -0.000977  -0.051015   0.001633
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022619  -0.014677  -0.133903
-    0SOL     H2    2  -0.069974  -0.097619  -0.127535
-    0SOL     H3    3   0.041576  -0.028972  -0.203451
-    1SOL     O4    4   0.026704   0.015714   0.136030
-    1SOL     H5    5  -0.042648   0.046487   0.077672
-    1SOL     H6    6   0.011208   0.062142   0.218290
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033451   0.122283  -0.075305
-    0SOL     H2    2  -0.035431   0.040400  -0.124840
-    0SOL     H3    3   0.028215   0.105708  -0.003997
-    1SOL     O4    4   0.026552  -0.112119   0.069658
-    1SOL     H5    5  -0.009539  -0.167916   0.138552
-    1SOL     H6    6   0.121308  -0.123838   0.076463
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062458  -0.099926   0.083339
-    0SOL     H2    2  -0.103421  -0.063422   0.161772
-    0SOL     H3    3  -0.011982  -0.027350   0.046635
-    1SOL     O4    4   0.059431   0.097141  -0.079941
-    1SOL     H5    5   0.017190   0.084009  -0.164827
-    1SOL     H6    6   0.144795   0.054753  -0.088800
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054029  -0.084899   0.093116
-    0SOL     H2    2   0.123067  -0.046911   0.147457
-    0SOL     H3    3   0.001880  -0.137422   0.153813
-    1SOL     O4    4  -0.059038   0.090872  -0.099708
-    1SOL     H5    5  -0.045161   0.030391  -0.026826
-    1SOL     H6    6  -0.002549   0.057709  -0.169504
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088639   0.004894  -0.111917
-    0SOL     H2    2  -0.048280   0.086279  -0.142080
-    0SOL     H3    3  -0.150168   0.032375  -0.043936
-    1SOL     O4    4   0.091512  -0.017772   0.113250
-    1SOL     H5    5   0.065614  -0.008039   0.021616
-    1SOL     H6    6   0.095725   0.071834   0.146647
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073362  -0.003642   0.119852
-    0SOL     H2    2   0.152903  -0.049447   0.092696
-    0SOL     H3    3   0.032976  -0.061807   0.184258
-    1SOL     O4    4  -0.078209   0.004695  -0.125737
-    1SOL     H5    5  -0.024971  -0.007487  -0.047126
-    1SOL     H6    6  -0.085329   0.099657  -0.135421
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047317   0.112479   0.074348
-    0SOL     H2    2   0.047356   0.061187   0.155166
-    0SOL     H3    3  -0.031133   0.166972   0.080547
-    1SOL     O4    4  -0.048561  -0.114604  -0.082994
-    1SOL     H5    5   0.035353  -0.160564  -0.080096
-    1SOL     H6    6  -0.035485  -0.037287  -0.028100
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121414  -0.049243  -0.051948
-    0SOL     H2    2   0.189829   0.004132  -0.011540
-    0SOL     H3    3   0.125574  -0.027171  -0.144996
-    1SOL     O4    4  -0.131406   0.045284   0.051960
-    1SOL     H5    5  -0.117369   0.053866   0.146256
-    1SOL     H6    6  -0.043948   0.030666   0.015910
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.087750   0.099425   0.071617
-    0SOL     H2    2   0.139021   0.059052   0.001590
-    0SOL     H3    3  -0.000192   0.063170   0.060935
-    1SOL     O4    4  -0.091250  -0.092663  -0.063731
-    1SOL     H5    5  -0.025205  -0.153391  -0.030375
-    1SOL     H6    6  -0.062382  -0.072305  -0.152694
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066588  -0.029493  -0.117893
-    0SOL     H2    2  -0.016500  -0.044587  -0.198053
-    0SOL     H3    3  -0.143559  -0.085701  -0.126747
-    1SOL     O4    4   0.075537   0.032858   0.125373
-    1SOL     H5    5   0.027363   0.005621   0.047273
-    1SOL     H6    6   0.010892   0.079441   0.178415
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.133188   0.027339   0.069759
-    0SOL     H2    2  -0.107506  -0.026896  -0.004815
-    0SOL     H3    3  -0.050725   0.048747   0.113393
-    1SOL     O4    4   0.129275  -0.022682  -0.062602
-    1SOL     H5    5   0.100115   0.023168  -0.141404
-    1SOL     H6    6   0.112735  -0.115125  -0.081118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026856   0.034286   0.135012
-    0SOL     H2    2  -0.039985   0.057766   0.199380
-    0SOL     H3    3   0.067843  -0.044537   0.170639
-    1SOL     O4    4  -0.026438  -0.027895  -0.146225
-    1SOL     H5    5  -0.011927  -0.122212  -0.138738
-    1SOL     H6    6  -0.024099   0.003983  -0.055999
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058546   0.020102  -0.127050
-    0SOL     H2    2  -0.076943   0.088724  -0.191197
-    0SOL     H3    3   0.008647  -0.034060  -0.168451
-    1SOL     O4    4   0.058538  -0.017892   0.138893
-    1SOL     H5    5   0.032403  -0.109678   0.131503
-    1SOL     H6    6   0.032618   0.021232   0.055468
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008056   0.052507   0.140040
-    0SOL     H2    2  -0.008899   0.020707   0.051363
-    0SOL     H3    3  -0.077460   0.081326   0.171961
-    1SOL     O4    4   0.001851  -0.048185  -0.132275
-    1SOL     H5    5   0.034474  -0.130485  -0.168675
-    1SOL     H6    6  -0.086083  -0.038915  -0.168937
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006987  -0.104575  -0.094161
-    0SOL     H2    2  -0.016708  -0.189778  -0.057537
-    0SOL     H3    3  -0.022004  -0.108722  -0.185290
-    1SOL     O4    4  -0.008924   0.107908   0.101783
-    1SOL     H5    5   0.040334   0.189978   0.102474
-    1SOL     H6    6   0.027856   0.058459   0.028541
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036724   0.117888  -0.092781
-    0SOL     H2    2   0.042784   0.070432  -0.009874
-    0SOL     H3    3   0.029384   0.049343  -0.159188
-    1SOL     O4    4  -0.030509  -0.109952   0.092595
-    1SOL     H5    5  -0.077369  -0.168533   0.033142
-    1SOL     H6    6  -0.099559  -0.063494   0.139882
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023209  -0.139562  -0.049874
-    0SOL     H2    2   0.035648  -0.046220  -0.067044
-    0SOL     H3    3  -0.004429  -0.175960  -0.133979
-    1SOL     O4    4  -0.017330   0.133144   0.052430
-    1SOL     H5    5  -0.022180   0.224710   0.079899
-    1SOL     H6    6  -0.100971   0.095439   0.079722
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067685   0.125514  -0.015461
-    0SOL     H2    2   0.128801   0.190340  -0.050458
-    0SOL     H3    3   0.018291   0.172805   0.051518
-    1SOL     O4    4  -0.070713  -0.136489   0.009566
-    1SOL     H5    5  -0.020998  -0.057722  -0.012489
-    1SOL     H6    6  -0.077928  -0.134379   0.104991
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060193  -0.026810   0.139549
-    0SOL     H2    2  -0.127637  -0.087009   0.108090
-    0SOL     H3    3  -0.006341  -0.008722   0.062509
-    1SOL     O4    4   0.056789   0.024505  -0.136556
-    1SOL     H5    5   0.151384   0.018506  -0.123212
-    1SOL     H6    6   0.031759   0.106679  -0.094329
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047271   0.082264   0.116246
-    0SOL     H2    2   0.133594   0.103516   0.080763
-    0SOL     H3    3  -0.013248   0.137645   0.066924
-    1SOL     O4    4  -0.052114  -0.092484  -0.112182
-    1SOL     H5    5  -0.052333  -0.017235  -0.171340
-    1SOL     H6    6   0.001087  -0.064341  -0.037750
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035042   0.039811   0.138074
-    0SOL     H2    2  -0.045829  -0.053472   0.156629
-    0SOL     H3    3  -0.123608   0.075732   0.143371
-    1SOL     O4    4   0.044156  -0.041979  -0.141162
-    1SOL     H5    5   0.052265   0.010860  -0.061760
-    1SOL     H6    6  -0.027964  -0.001707  -0.189527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009278  -0.067991  -0.128340
-    0SOL     H2    2   0.021191  -0.104391  -0.211460
-    0SOL     H3    3  -0.064907   0.005765  -0.153394
-    1SOL     O4    4   0.010676   0.072104   0.136785
-    1SOL     H5    5  -0.003722  -0.008979   0.185576
-    1SOL     H6    6   0.026172   0.043511   0.046759
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015832  -0.133438  -0.056135
-    0SOL     H2    2   0.073672  -0.175277  -0.119904
-    0SOL     H3    3  -0.068568  -0.176979  -0.068097
-    1SOL     O4    4  -0.019097   0.141199   0.056854
-    1SOL     H5    5   0.016774   0.158779   0.143840
-    1SOL     H6    6   0.029018   0.064365   0.026132
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033674   0.118673   0.095475
-    0SOL     H2    2   0.007024   0.044076   0.051416
-    0SOL     H3    3  -0.028667   0.097187   0.188618
-    1SOL     O4    4   0.031563  -0.117658  -0.093394
-    1SOL     H5    5  -0.045865  -0.104195  -0.148037
-    1SOL     H6    6   0.092995  -0.049938  -0.121718
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041712  -0.136019  -0.040974
-    0SOL     H2    2  -0.023750  -0.186456   0.007328
-    0SOL     H3    3   0.069990  -0.194502  -0.111277
-    1SOL     O4    4  -0.039793   0.146533   0.048182
-    1SOL     H5    5   0.024143   0.078637   0.026627
-    1SOL     H6    6  -0.101221   0.145824  -0.025224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003602   0.063751  -0.133730
-    0SOL     H2    2  -0.033799   0.130596  -0.195229
-    0SOL     H3    3   0.080037   0.034131  -0.169639
-    1SOL     O4    4  -0.004688  -0.067894   0.143247
-    1SOL     H5    5   0.089313  -0.070596   0.161098
-    1SOL     H6    6  -0.011315  -0.031492   0.054967
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.143110  -0.061031  -0.044548
-    0SOL     H2    2   0.071413  -0.011803  -0.004567
-    0SOL     H3    3   0.100390  -0.135415  -0.087026
-    1SOL     O4    4  -0.135794   0.069295   0.044672
-    1SOL     H5    5  -0.125420   0.009277   0.118513
-    1SOL     H6    6  -0.168791   0.014375  -0.026442
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.130275  -0.054629   0.083473
-    0SOL     H2    2   0.073550  -0.011559   0.019523
-    0SOL     H3    3   0.120618  -0.002423   0.163120
-    1SOL     O4    4  -0.120229   0.046922  -0.084217
-    1SOL     H5    5  -0.197243  -0.002552  -0.056228
-    1SOL     H6    6  -0.154881   0.131898  -0.111432
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001533   0.060357  -0.152519
-    0SOL     H2    2  -0.020683   0.012423  -0.072700
-    0SOL     H3    3  -0.037474   0.008808  -0.223112
-    1SOL     O4    4  -0.002863  -0.058273   0.147761
-    1SOL     H5    5  -0.020565   0.006415   0.216058
-    1SOL     H6    6   0.092137  -0.069830   0.149696
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017805   0.124024   0.101572
-    0SOL     H2    2  -0.034523   0.175232   0.180696
-    0SOL     H3    3  -0.046192   0.035381   0.123911
-    1SOL     O4    4   0.022191  -0.125201  -0.101634
-    1SOL     H5    5  -0.065421  -0.101141  -0.131761
-    1SOL     H6    6   0.080829  -0.092704  -0.169955
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003664   0.133024  -0.098322
-    0SOL     H2    2   0.020671   0.135417  -0.190866
-    0SOL     H3    3  -0.001910   0.040095  -0.075442
-    1SOL     O4    4   0.005062  -0.120991   0.103142
-    1SOL     H5    5   0.045165  -0.204408   0.127546
-    1SOL     H6    6  -0.080557  -0.144983   0.067699
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059411   0.140302  -0.060371
-    0SOL     H2    2  -0.127763   0.106483  -0.002522
-    0SOL     H3    3  -0.107135   0.180946  -0.132709
-    1SOL     O4    4   0.067123  -0.146973   0.062657
-    1SOL     H5    5  -0.010404  -0.091673   0.052969
-    1SOL     H6    6   0.140866  -0.087610   0.048504
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112968  -0.067645  -0.106195
-    0SOL     H2    2  -0.036607  -0.085715  -0.161010
-    0SOL     H3    3  -0.114106  -0.138964  -0.042362
-    1SOL     O4    4   0.113768   0.068912   0.106221
-    1SOL     H5    5   0.099914   0.159019   0.135397
-    1SOL     H6    6   0.031866   0.044847   0.062917
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060929  -0.083165   0.133454
-    0SOL     H2    2   0.136211  -0.096829   0.190972
-    0SOL     H3    3   0.028587  -0.171325   0.114904
-    1SOL     O4    4  -0.067663   0.093583  -0.133466
-    1SOL     H5    5  -0.061951   0.052988  -0.219963
-    1SOL     H6    6   0.001506   0.051358  -0.082523
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130705  -0.107145   0.040124
-    0SOL     H2    2  -0.042098  -0.105160   0.076278
-    0SOL     H3    3  -0.148657  -0.200051   0.025684
-    1SOL     O4    4   0.126241   0.110910  -0.047962
-    1SOL     H5    5   0.077976   0.177739   0.000686
-    1SOL     H6    6   0.180322   0.067544   0.018045
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023568   0.086925  -0.157743
-    0SOL     H2    2  -0.046675   0.034314  -0.119530
-    0SOL     H3    3   0.086273   0.098697  -0.086386
-    1SOL     O4    4  -0.018297  -0.085382   0.147276
-    1SOL     H5    5  -0.045164  -0.008264   0.197208
-    1SOL     H6    6  -0.078445  -0.154331   0.175396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.144620   0.031128   0.101184
-    0SOL     H2    2  -0.107079  -0.047281   0.141248
-    0SOL     H3    3  -0.073560   0.095240   0.102736
-    1SOL     O4    4   0.139825  -0.031397  -0.109810
-    1SOL     H5    5   0.138951  -0.093137  -0.036668
-    1SOL     H6    6   0.118032   0.052994  -0.070242
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.150397   0.019577   0.087459
-    0SOL     H2    2  -0.239106   0.022524   0.123298
-    0SOL     H3    3  -0.125110   0.111450   0.078399
-    1SOL     O4    4   0.151625  -0.030098  -0.092000
-    1SOL     H5    5   0.242880  -0.001209  -0.092451
-    1SOL     H6    6   0.106311   0.034373  -0.037663
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061567  -0.162490   0.062367
-    0SOL     H2    2  -0.115757  -0.202273  -0.005773
-    0SOL     H3    3  -0.049828  -0.071877   0.033839
-    1SOL     O4    4   0.061505   0.157426  -0.050564
-    1SOL     H5    5   0.059118   0.109334  -0.133292
-    1SOL     H6    6   0.104369   0.240239  -0.072175
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118434  -0.122031  -0.051980
-    0SOL     H2    2   0.202474  -0.077395  -0.041626
-    0SOL     H3    3   0.124134  -0.164357  -0.137644
-    1SOL     O4    4  -0.120050   0.117650   0.052097
-    1SOL     H5    5  -0.189739   0.178605   0.027804
-    1SOL     H6    6  -0.105848   0.133401   0.145438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014340   0.150038  -0.114713
-    0SOL     H2    2   0.055361   0.141920  -0.028611
-    0SOL     H3    3  -0.064292   0.095749  -0.109049
-    1SOL     O4    4  -0.009217  -0.139590   0.109528
-    1SOL     H5    5   0.028858  -0.223279   0.136152
-    1SOL     H6    6  -0.097496  -0.161735   0.079884
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042105  -0.178752   0.010686
-    0SOL     H2    2   0.018137  -0.136288  -0.071683
-    0SOL     H3    3   0.134703  -0.200676   0.000327
-    1SOL     O4    4  -0.047960   0.176111   0.001227
-    1SOL     H5    5   0.040482   0.172034  -0.035156
-    1SOL     H6    6  -0.102875   0.203581  -0.072204
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051480  -0.129458  -0.110379
-    0SOL     H2    2  -0.009610  -0.214744  -0.122020
-    0SOL     H3    3  -0.103471  -0.117206  -0.189809
-    1SOL     O4    4   0.050084   0.131165   0.121374
-    1SOL     H5    5   0.119019   0.097417   0.064178
-    1SOL     H6    6   0.015085   0.206997   0.074611
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108267  -0.063829  -0.140597
-    0SOL     H2    2   0.102212   0.000229  -0.211465
-    0SOL     H3    3   0.105580  -0.011398  -0.060559
-    1SOL     O4    4  -0.105178   0.052464   0.145178
-    1SOL     H5    5  -0.139377   0.027304   0.059389
-    1SOL     H6    6  -0.113488   0.147799   0.147309
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005787  -0.129997  -0.136805
-    0SOL     H2    2   0.059012  -0.063061  -0.114828
-    0SOL     H3    3  -0.024280  -0.115926  -0.229661
-    1SOL     O4    4   0.001715   0.128043   0.146973
-    1SOL     H5    5   0.072737   0.068565   0.122879
-    1SOL     H6    6  -0.045801   0.143034   0.065242
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008430   0.164787  -0.112447
-    0SOL     H2    2  -0.047995   0.092827  -0.084159
-    0SOL     H3    3   0.077830   0.168172  -0.046611
-    1SOL     O4    4  -0.009684  -0.162841   0.100712
-    1SOL     H5    5  -0.063157  -0.095248   0.142355
-    1SOL     H6    6   0.048293  -0.193826   0.170289
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137547  -0.022469   0.143492
-    0SOL     H2    2  -0.166579  -0.051286   0.056953
-    0SOL     H3    3  -0.137321   0.073101   0.138137
-    1SOL     O4    4   0.134147   0.022801  -0.138102
-    1SOL     H5    5   0.127944  -0.069714  -0.114336
-    1SOL     H6    6   0.226946   0.036518  -0.157143
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065293   0.022195  -0.182198
-    0SOL     H2    2  -0.096729   0.016852  -0.272451
-    0SOL     H3    3  -0.012927  -0.057041  -0.170294
-    1SOL     O4    4   0.069114  -0.013103   0.183984
-    1SOL     H5    5  -0.021321  -0.021187   0.153677
-    1SOL     H6    6   0.074225  -0.071066   0.259987
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076301  -0.005479   0.182121
-    0SOL     H2    2   0.015992   0.012931   0.164648
-    0SOL     H3    3  -0.077446  -0.039670   0.271519
-    1SOL     O4    4   0.076489   0.003652  -0.183253
-    1SOL     H5    5  -0.008239   0.028080  -0.146012
-    1SOL     H6    6   0.069598   0.026886  -0.275854
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034627  -0.196354   0.042810
-    0SOL     H2    2  -0.009246  -0.188091   0.134733
-    0SOL     H3    3   0.045153  -0.176061  -0.006033
-    1SOL     O4    4   0.024565   0.194770  -0.040127
-    1SOL     H5    5   0.063179   0.118725  -0.083584
-    1SOL     H6    6   0.064216   0.270111  -0.083874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012675   0.125791  -0.162961
-    0SOL     H2    2   0.008056   0.202908  -0.106445
-    0SOL     H3    3   0.056400   0.059478  -0.109548
-    1SOL     O4    4  -0.012735  -0.120934   0.155050
-    1SOL     H5    5  -0.094143  -0.168522   0.138607
-    1SOL     H6    6   0.035692  -0.176580   0.216047
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091738  -0.045406   0.193842
-    0SOL     H2    2  -0.113025   0.047564   0.185732
-    0SOL     H3    3  -0.010173  -0.055716   0.144820
-    1SOL     O4    4   0.086420   0.034481  -0.192210
-    1SOL     H5    5   0.038152   0.116569  -0.182504
-    1SOL     H6    6   0.177263   0.057626  -0.172868
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054747   0.147666  -0.154519
-    0SOL     H2    2   0.147337   0.163856  -0.136429
-    0SOL     H3    3   0.039992   0.057671  -0.125441
-    1SOL     O4    4  -0.057486  -0.145654   0.158355
-    1SOL     H5    5  -0.138106  -0.104546   0.127163
-    1SOL     H6    6  -0.002008  -0.151741   0.080589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038230  -0.216948   0.066241
-    0SOL     H2    2  -0.027232  -0.283035  -0.002125
-    0SOL     H3    3   0.043420  -0.167015   0.064709
-    1SOL     O4    4   0.033872   0.212357  -0.059114
-    1SOL     H5    5   0.003655   0.295007  -0.021454
-    1SOL     H6    6   0.048526   0.232075  -0.151628
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115622   0.094672   0.176623
-    0SOL     H2    2  -0.142126   0.179944   0.142150
-    0SOL     H3    3  -0.186827   0.035639   0.151982
-    1SOL     O4    4   0.114347  -0.097895  -0.173651
-    1SOL     H5    5   0.189756  -0.149617  -0.201947
-    1SOL     H6    6   0.152290  -0.017208  -0.138835
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062609  -0.012979  -0.252458
-    0SOL     H2    2   0.030259  -0.018778  -0.230004
-    0SOL     H3    3  -0.107904  -0.015904  -0.168184
-    1SOL     O4    4   0.055441   0.012526   0.241567
-    1SOL     H5    5   0.134229   0.066739   0.237606
-    1SOL     H6    6   0.056886  -0.025532   0.329384
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108560  -0.217631  -0.110899
-    0SOL     H2    2  -0.045401  -0.236670  -0.041540
-    0SOL     H3    3  -0.127969  -0.124448  -0.100766
-    1SOL     O4    4   0.103265   0.210187   0.100671
-    1SOL     H5    5   0.191565   0.245538   0.111436
-    1SOL     H6    6   0.062314   0.221369   0.186464
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019142   0.199860  -0.165017
-    0SOL     H2    2  -0.027086   0.251468  -0.245240
-    0SOL     H3    3  -0.048746   0.112271  -0.189797
-    1SOL     O4    4   0.020772  -0.201220   0.177241
-    1SOL     H5    5   0.027014  -0.237893   0.089045
-    1SOL     H6    6   0.022771  -0.106439   0.164017
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075462   0.153844  -0.210074
-    0SOL     H2    2   0.042467   0.068067  -0.183317
-    0SOL     H3    3   0.142724   0.174950  -0.145323
-    1SOL     O4    4  -0.079143  -0.143584   0.204990
-    1SOL     H5    5  -0.017524  -0.187998   0.263237
-    1SOL     H6    6  -0.108785  -0.211882   0.144831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075042   0.239189  -0.084493
-    0SOL     H2    2  -0.107447   0.316413  -0.038138
-    0SOL     H3    3  -0.038112   0.273726  -0.165768
-    1SOL     O4    4   0.068512  -0.246915   0.089146
-    1SOL     H5    5   0.151294  -0.233288   0.135230
-    1SOL     H6    6   0.090299  -0.235152  -0.003316
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012129   0.014482  -0.294460
-    0SOL     H2    2   0.007737   0.028624  -0.201899
-    0SOL     H3    3  -0.099766  -0.024015  -0.294587
-    1SOL     O4    4   0.019256  -0.008292   0.292053
-    1SOL     H5    5   0.032979  -0.038240   0.202181
-    1SOL     H6    6  -0.051495  -0.063573   0.325231
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016810   0.274103   0.087057
-    0SOL     H2    2   0.076203   0.321254   0.145464
-    0SOL     H3    3   0.061098   0.274710   0.002201
-    1SOL     O4    4  -0.023991  -0.273769  -0.080071
-    1SOL     H5    5   0.037897  -0.345254  -0.094971
-    1SOL     H6    6  -0.062704  -0.257232  -0.166038
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011856  -0.144404  -0.259952
-    0SOL     H2    2   0.067618  -0.186406  -0.227056
-    0SOL     H3    3  -0.049528  -0.101029  -0.183390
-    1SOL     O4    4   0.008349   0.145187   0.259711
-    1SOL     H5    5   0.086405   0.157487   0.205691
-    1SOL     H6    6  -0.059842   0.119171   0.197780
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062534  -0.156171   0.250177
-    0SOL     H2    2  -0.143906  -0.180046   0.205783
-    0SOL     H3    3   0.006662  -0.188303   0.192370
-    1SOL     O4    4   0.060983   0.164030  -0.240923
-    1SOL     H5    5   0.131469   0.102673  -0.220200
-    1SOL     H6    6   0.031186   0.137819  -0.328029
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044435  -0.281962   0.066548
-    0SOL     H2    2   0.077562  -0.307647   0.152601
-    0SOL     H3    3   0.015546  -0.363961   0.026499
-    1SOL     O4    4  -0.041730   0.283464  -0.073073
-    1SOL     H5    5  -0.025982   0.296620   0.020422
-    1SOL     H6    6  -0.111883   0.344966  -0.094481
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079346   0.288367   0.108024
-    0SOL     H2    2  -0.043205   0.319523   0.025046
-    0SOL     H3    3  -0.032742   0.206560   0.125290
-    1SOL     O4    4   0.072472  -0.289966  -0.108210
-    1SOL     H5    5   0.081010  -0.293092  -0.012923
-    1SOL     H6    6   0.103721  -0.202745  -0.132256
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040155  -0.237250   0.214269
-    0SOL     H2    2  -0.005186  -0.249750   0.302491
-    0SOL     H3    3  -0.032896  -0.323382   0.173149
-    1SOL     O4    4   0.043523   0.243137  -0.213642
-    1SOL     H5    5   0.002619   0.313623  -0.263849
-    1SOL     H6    6  -0.016854   0.169363  -0.222271
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041631   0.109486   0.314241
-    0SOL     H2    2   0.131260   0.110646   0.347821
-    0SOL     H3    3  -0.008446   0.160716   0.377724
-    1SOL     O4    4  -0.047112  -0.112690  -0.326210
-    1SOL     H5    5  -0.089491  -0.117419  -0.240513
-    1SOL     H6    6   0.046381  -0.107044  -0.306470
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.087612  -0.219731  -0.273670
-    0SOL     H2    2   0.007934  -0.263322  -0.303897
-    0SOL     H3    3   0.065157  -0.126688  -0.272665
-    1SOL     O4    4  -0.077786   0.217964   0.280433
-    1SOL     H5    5  -0.079335   0.267636   0.198624
-    1SOL     H6    6  -0.146504   0.152173   0.269867
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.141296   0.292358  -0.152145
-    0SOL     H2    2  -0.133168   0.346471  -0.073608
-    0SOL     H3    3  -0.235437   0.277916  -0.161700
-    1SOL     O4    4   0.142918  -0.290918   0.143728
-    1SOL     H5    5   0.129901  -0.383748   0.163104
-    1SOL     H6    6   0.215972  -0.264722   0.199757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130266   0.303844  -0.232393
-    0SOL     H2    2  -0.131892   0.348462  -0.147724
-    0SOL     H3    3  -0.182678   0.359588  -0.289907
-    1SOL     O4    4   0.134611  -0.311698   0.236529
-    1SOL     H5    5   0.050375  -0.280366   0.203591
-    1SOL     H6    6   0.193775  -0.304716   0.161607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012886  -0.411722   0.448414
-    0SOL     H2    2  -0.049997  -0.399874   0.519601
-    0SOL     H3    3   0.098135  -0.414253   0.491870
-    1SOL     O4    4  -0.011207   0.407063  -0.459450
-    1SOL     H5    5  -0.034671   0.386775  -0.368895
-    1SOL     H6    6  -0.039082   0.497810  -0.471710
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.274987   0.531579   0.416573
-    0SOL     H2    2   0.214745   0.483969   0.473727
-    0SOL     H3    3   0.271973   0.483999   0.333570
-    1SOL     O4    4  -0.270243  -0.522733  -0.420815
-    1SOL     H5    5  -0.231583  -0.607155  -0.397561
-    1SOL     H6    6  -0.332424  -0.504586  -0.350342
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025612   0.125597  -0.014492
-    0SOL     H2    2   0.032519   0.105777  -0.087911
-    0SOL     H3    3  -0.015169   0.219686  -0.000335
-    1SOL     O4    4   0.025161  -0.133397   0.021680
-    1SOL     H5    5  -0.030028  -0.159461  -0.052057
-    1SOL     H6    6   0.013096  -0.038677   0.028383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058597  -0.004619   0.124252
-    0SOL     H2    2   0.015090  -0.018818   0.183673
-    0SOL     H3    3  -0.018016   0.010603   0.038907
-    1SOL     O4    4   0.050857   0.009013  -0.117859
-    1SOL     H5    5   0.113560  -0.063091  -0.123491
-    1SOL     H6    6  -0.001246   0.001810  -0.197832
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119972  -0.019135   0.066746
-    0SOL     H2    2  -0.085594   0.017269   0.148325
-    0SOL     H3    3  -0.046967  -0.013109   0.005133
-    1SOL     O4    4   0.110705   0.018512  -0.062359
-    1SOL     H5    5   0.082186   0.035685  -0.152103
-    1SOL     H6    6   0.188589  -0.036293  -0.072000
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098691   0.084190   0.007529
-    0SOL     H2    2  -0.091239   0.177187  -0.013882
-    0SOL     H3    3  -0.115920   0.082544   0.101671
-    1SOL     O4    4   0.100510  -0.096138  -0.013284
-    1SOL     H5    5   0.163310  -0.030669   0.017252
-    1SOL     H6    6   0.016723  -0.049901  -0.015327
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010662   0.120481   0.046593
-    0SOL     H2    2   0.023229   0.178219   0.121897
-    0SOL     H3    3  -0.004034   0.179888  -0.027009
-    1SOL     O4    4  -0.015835  -0.131393  -0.048507
-    1SOL     H5    5   0.076658  -0.155785  -0.052015
-    1SOL     H6    6  -0.015730  -0.041580  -0.015402
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044055  -0.124192   0.010558
-    0SOL     H2    2   0.005146  -0.175239   0.081570
-    0SOL     H3    3   0.025389  -0.174888  -0.068460
-    1SOL     O4    4  -0.039777   0.136494  -0.009957
-    1SOL     H5    5  -0.124092   0.092492  -0.020779
-    1SOL     H6    6   0.022919   0.065353   0.003100
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070287   0.084615  -0.074530
-    0SOL     H2    2   0.056026   0.066465  -0.167426
-    0SOL     H3    3   0.029783   0.170166  -0.060298
-    1SOL     O4    4  -0.070639  -0.088167   0.084677
-    1SOL     H5    5  -0.018499  -0.024113   0.036295
-    1SOL     H6    6  -0.058291  -0.170179   0.036887
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017230   0.129859  -0.009845
-    0SOL     H2    2  -0.032693   0.162534   0.065004
-    0SOL     H3    3   0.073593   0.203057  -0.034897
-    1SOL     O4    4  -0.023328  -0.138105   0.008681
-    1SOL     H5    5   0.004155  -0.046620   0.002572
-    1SOL     H6    6   0.054842  -0.188246  -0.014510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072281  -0.120851  -0.008760
-    0SOL     H2    2   0.015420  -0.048105   0.016482
-    0SOL     H3    3   0.011997  -0.190885  -0.033728
-    1SOL     O4    4  -0.061995   0.121484   0.002536
-    1SOL     H5    5  -0.031674   0.134592   0.092375
-    1SOL     H6    6  -0.153084   0.093562   0.011783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.117107   0.071235   0.031284
-    0SOL     H2    2  -0.143158   0.146087  -0.022389
-    0SOL     H3    3  -0.041334   0.034363  -0.014117
-    1SOL     O4    4   0.110830  -0.068387  -0.023428
-    1SOL     H5    5   0.190688  -0.072000  -0.076076
-    1SOL     H6    6   0.092496  -0.159701  -0.001338
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040028  -0.030372  -0.132698
-    0SOL     H2    2   0.001549  -0.038089  -0.045393
-    0SOL     H3    3   0.120124  -0.082602  -0.128324
-    1SOL     O4    4  -0.036809   0.033054   0.123339
-    1SOL     H5    5  -0.096228   0.108087   0.124661
-    1SOL     H6    6  -0.073876  -0.028037   0.187027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076629  -0.013130  -0.118932
-    0SOL     H2    2   0.126525   0.068230  -0.126237
-    0SOL     H3    3   0.026089  -0.003126  -0.038260
-    1SOL     O4    4  -0.070964   0.008852   0.111093
-    1SOL     H5    5  -0.157302   0.049426   0.103230
-    1SOL     H6    6  -0.080984  -0.055490   0.181249
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066770   0.013572   0.123470
-    0SOL     H2    2   0.113345  -0.063707   0.155424
-    0SOL     H3    3   0.039185  -0.009959   0.034882
-    1SOL     O4    4  -0.063446  -0.009195  -0.114945
-    1SOL     H5    5  -0.044801   0.040561  -0.194564
-    1SOL     H6    6  -0.156713  -0.029896  -0.120872
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085802  -0.085087   0.054775
-    0SOL     H2    2  -0.150278  -0.061948   0.121630
-    0SOL     H3    3  -0.132478  -0.144435  -0.004060
-    1SOL     O4    4   0.094217   0.090245  -0.060443
-    1SOL     H5    5   0.135945   0.088805   0.025690
-    1SOL     H6    6   0.017580   0.033689  -0.050930
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053998   0.076969  -0.105987
-    0SOL     H2    2  -0.026646   0.014809  -0.038531
-    0SOL     H3    3  -0.133776   0.038932  -0.142743
-    1SOL     O4    4   0.059590  -0.072682   0.097698
-    1SOL     H5    5   0.102171  -0.019789   0.165163
-    1SOL     H6    6  -0.023673  -0.099046   0.136869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112773  -0.047404   0.053115
-    0SOL     H2    2   0.185518  -0.078059  -0.001021
-    0SOL     H3    3   0.099688  -0.117086   0.117423
-    1SOL     O4    4  -0.119099   0.050690  -0.059618
-    1SOL     H5    5  -0.039208   0.021220  -0.015899
-    1SOL     H6    6  -0.151178   0.122538  -0.005110
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035439  -0.037733   0.122955
-    0SOL     H2    2  -0.013359   0.009946   0.202965
-    0SOL     H3    3  -0.030706  -0.130016   0.147931
-    1SOL     O4    4   0.037602   0.041413  -0.134192
-    1SOL     H5    5  -0.049140   0.076953  -0.114827
-    1SOL     H6    6   0.056666  -0.016779  -0.060622
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137787   0.032504  -0.003776
-    0SOL     H2    2   0.192242   0.014426  -0.080393
-    0SOL     H3    3   0.051772  -0.002743  -0.026612
-    1SOL     O4    4  -0.133527  -0.026830   0.003109
-    1SOL     H5    5  -0.160984  -0.117361   0.017686
-    1SOL     H6    6  -0.146905   0.016200   0.087559
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040514   0.107894   0.072281
-    0SOL     H2    2  -0.028742   0.192106   0.028327
-    0SOL     H3    3  -0.135400   0.097880   0.079945
-    1SOL     O4    4   0.040006  -0.113739  -0.073736
-    1SOL     H5    5   0.125420  -0.156920  -0.075245
-    1SOL     H6    6   0.050610  -0.041738  -0.011562
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115629  -0.023653   0.068778
-    0SOL     H2    2  -0.167538   0.015213  -0.001630
-    0SOL     H3    3  -0.143691   0.022702   0.147683
-    1SOL     O4    4   0.125449   0.018367  -0.065048
-    1SOL     H5    5   0.125552   0.039280  -0.158456
-    1SOL     H6    6   0.033287   0.003521  -0.043881
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006631   0.028087   0.130678
-    0SOL     H2    2  -0.022788   0.115557   0.156090
-    0SOL     H3    3   0.068906   0.002954   0.198887
-    1SOL     O4    4  -0.009066  -0.037088  -0.140572
-    1SOL     H5    5  -0.005475   0.056573  -0.159986
-    1SOL     H6    6  -0.003687  -0.042038  -0.045132
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062426   0.032863   0.125577
-    0SOL     H2    2   0.108594  -0.043687   0.159795
-    0SOL     H3    3   0.027501   0.004103   0.041224
-    1SOL     O4    4  -0.057879  -0.023724  -0.119209
-    1SOL     H5    5  -0.083196  -0.008948  -0.210331
-    1SOL     H6    6  -0.118723  -0.090681  -0.087952
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092161   0.086333  -0.048862
-    0SOL     H2    2   0.139909   0.073776  -0.130866
-    0SOL     H3    3   0.153148   0.134125   0.007342
-    1SOL     O4    4  -0.098041  -0.092319   0.055598
-    1SOL     H5    5  -0.029993  -0.033303   0.023213
-    1SOL     H6    6  -0.170677  -0.081146  -0.005733
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018983   0.030069  -0.134106
-    0SOL     H2    2  -0.026836   0.104080  -0.173921
-    0SOL     H3    3   0.105411   0.064582  -0.111714
-    1SOL     O4    4  -0.022293  -0.038538   0.141354
-    1SOL     H5    5   0.051577  -0.063919   0.086024
-    1SOL     H6    6  -0.073445   0.021449   0.087063
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070522  -0.089900  -0.092619
-    0SOL     H2    2   0.046171  -0.046297  -0.174277
-    0SOL     H3    3   0.021319  -0.043370  -0.024970
-    1SOL     O4    4  -0.062853   0.079216   0.095080
-    1SOL     H5    5  -0.035949   0.170986   0.099163
-    1SOL     H6    6  -0.150460   0.081580   0.056586
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018510   0.064689  -0.116792
-    0SOL     H2    2  -0.083390   0.075452  -0.186341
-    0SOL     H3    3   0.060903   0.105269  -0.151564
-    1SOL     O4    4   0.022840  -0.066129   0.127383
-    1SOL     H5    5  -0.000162  -0.034599   0.039981
-    1SOL     H6    6  -0.044527  -0.130922   0.148020
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117398  -0.009566  -0.087236
-    0SOL     H2    2   0.146414  -0.099864  -0.100146
-    0SOL     H3    3   0.047288  -0.015928  -0.022379
-    1SOL     O4    4  -0.112829   0.009195   0.082395
-    1SOL     H5    5  -0.096677   0.050526   0.167208
-    1SOL     H6    6  -0.163282   0.074059   0.033309
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065849   0.082924   0.102068
-    0SOL     H2    2   0.002433   0.092726   0.173093
-    0SOL     H3    3   0.032348   0.010013   0.049875
-    1SOL     O4    4  -0.058283  -0.079753  -0.096608
-    1SOL     H5    5  -0.063880  -0.149992  -0.161396
-    1SOL     H6    6  -0.083095  -0.000763  -0.144643
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079037   0.088833   0.089592
-    0SOL     H2    2   0.149736   0.025016   0.099152
-    0SOL     H3    3   0.009377   0.040931   0.044700
-    1SOL     O4    4  -0.083962  -0.078170  -0.083777
-    1SOL     H5    5  -0.015140  -0.046114  -0.142072
-    1SOL     H6    6  -0.074923  -0.173434  -0.086085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060376   0.067363  -0.110000
-    0SOL     H2    2   0.029702   0.097619  -0.121524
-    0SOL     H3    3  -0.109501   0.146327  -0.087334
-    1SOL     O4    4   0.060441  -0.079148   0.111378
-    1SOL     H5    5   0.075245   0.007456   0.149363
-    1SOL     H6    6   0.002381  -0.063119   0.036984
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019342   0.130282   0.064285
-    0SOL     H2    2  -0.034976   0.199853   0.027248
-    0SOL     H3    3   0.032397   0.068954  -0.008038
-    1SOL     O4    4  -0.020174  -0.128551  -0.063736
-    1SOL     H5    5   0.072805  -0.134548  -0.041795
-    1SOL     H6    6  -0.065412  -0.158809   0.015006
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033791   0.119127  -0.060434
-    0SOL     H2    2   0.018428   0.185567  -0.105392
-    0SOL     H3    3  -0.115796   0.115678  -0.109684
-    1SOL     O4    4   0.033813  -0.126413   0.071247
-    1SOL     H5    5   0.108711  -0.136468   0.012498
-    1SOL     H6    6  -0.014528  -0.051723   0.035935
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069701  -0.041336   0.114993
-    0SOL     H2    2   0.069461  -0.099253   0.191202
-    0SOL     H3    3   0.134178  -0.079945   0.055711
-    1SOL     O4    4  -0.079406   0.049202  -0.117856
-    1SOL     H5    5  -0.052536   0.017585  -0.031597
-    1SOL     H6    6  -0.000796   0.041251  -0.171889
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094897  -0.054062  -0.087440
-    0SOL     H2    2  -0.175644  -0.035986  -0.135560
-    0SOL     H3    3  -0.077515  -0.146777  -0.103698
-    1SOL     O4    4   0.103966   0.055851   0.093669
-    1SOL     H5    5   0.041066   0.019849   0.031141
-    1SOL     H6    6   0.070170   0.143017   0.114217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048822   0.057797   0.121217
-    0SOL     H2    2  -0.131207   0.009400   0.115498
-    0SOL     H3    3  -0.075318   0.148728   0.135065
-    1SOL     O4    4   0.059770  -0.065129  -0.120256
-    1SOL     H5    5   0.029252   0.004405  -0.061981
-    1SOL     H6    6   0.014651  -0.048590  -0.203038
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013366  -0.102956   0.111367
-    0SOL     H2    2  -0.074833  -0.133802   0.090588
-    0SOL     H3    3   0.037292  -0.047085   0.037420
-    1SOL     O4    4  -0.004659   0.104990  -0.101608
-    1SOL     H5    5   0.016590   0.061432  -0.184152
-    1SOL     H6    6  -0.098734   0.091108  -0.090671
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095972  -0.063585  -0.088322
-    0SOL     H2    2   0.137587   0.019351  -0.111817
-    0SOL     H3    3   0.046678  -0.088680  -0.166442
-    1SOL     O4    4  -0.093936   0.061150   0.099837
-    1SOL     H5    5  -0.176842   0.089239   0.061109
-    1SOL     H6    6  -0.046767   0.019300   0.027824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019041   0.110046   0.086916
-    0SOL     H2    2  -0.069976   0.142650   0.100154
-    0SOL     H3    3   0.066544   0.137429   0.165376
-    1SOL     O4    4  -0.021167  -0.114533  -0.095798
-    1SOL     H5    5   0.052524  -0.173605  -0.080223
-    1SOL     H6    6  -0.002424  -0.037952  -0.041518
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065916  -0.122273   0.045075
-    0SOL     H2    2   0.089598  -0.120880   0.137809
-    0SOL     H3    3  -0.017898  -0.168430   0.042401
-    1SOL     O4    4  -0.064692   0.130349  -0.053563
-    1SOL     H5    5   0.019320   0.084476  -0.053553
-    1SOL     H6    6  -0.117409   0.083893   0.011438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033361   0.113654   0.097813
-    0SOL     H2    2  -0.121138   0.075564   0.100404
-    0SOL     H3    3   0.021985   0.044014   0.062464
-    1SOL     O4    4   0.033116  -0.109090  -0.089822
-    1SOL     H5    5   0.124653  -0.095569  -0.114328
-    1SOL     H6    6  -0.016019  -0.091957  -0.170162
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052221  -0.070156   0.114378
-    0SOL     H2    2  -0.056369   0.011981   0.163355
-    0SOL     H3    3  -0.037270  -0.137148   0.181093
-    1SOL     O4    4   0.046940   0.067358  -0.126589
-    1SOL     H5    5   0.127997   0.117862  -0.133024
-    1SOL     H6    6   0.042987   0.039890  -0.034980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102550   0.005560  -0.102391
-    0SOL     H2    2   0.142142   0.086670  -0.070519
-    0SOL     H3    3   0.108131   0.011978  -0.197733
-    1SOL     O4    4  -0.106645  -0.015306   0.110994
-    1SOL     H5    5  -0.145210   0.070561   0.093622
-    1SOL     H6    6  -0.038822  -0.025118   0.044165
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067605  -0.113305  -0.079014
-    0SOL     H2    2  -0.053435  -0.023959  -0.047729
-    0SOL     H3    3  -0.017371  -0.118510  -0.160327
-    1SOL     O4    4   0.067595   0.108412   0.076329
-    1SOL     H5    5   0.092523   0.082828   0.165134
-    1SOL     H6    6  -0.024362   0.133962   0.083635
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015315   0.134396  -0.057186
-    0SOL     H2    2  -0.013911   0.220234  -0.014851
-    0SOL     H3    3   0.054334   0.138806  -0.122699
-    1SOL     O4    4   0.011478  -0.140105   0.065682
-    1SOL     H5    5   0.035908  -0.062892   0.014656
-    1SOL     H6    6  -0.015045  -0.204718   0.000231
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006083  -0.142072   0.064708
-    0SOL     H2    2  -0.012813  -0.059216   0.017254
-    0SOL     H3    3   0.039955  -0.119728   0.145600
-    1SOL     O4    4   0.006351   0.132193  -0.061729
-    1SOL     H5    5   0.014365   0.111699  -0.154885
-    1SOL     H6    6  -0.045911   0.212346  -0.059198
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052631   0.074074   0.127955
-    0SOL     H2    2  -0.104143   0.134419   0.074409
-    0SOL     H3    3   0.002376   0.027242   0.065159
-    1SOL     O4    4   0.051462  -0.072662  -0.114601
-    1SOL     H5    5   0.035275  -0.026531  -0.196894
-    1SOL     H6    6   0.087209  -0.157377  -0.141206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027768  -0.057690  -0.132622
-    0SOL     H2    2  -0.053820  -0.084229  -0.175064
-    0SOL     H3    3   0.092570  -0.057688  -0.203071
-    1SOL     O4    4  -0.024831   0.064872   0.140996
-    1SOL     H5    5   0.005548   0.019636   0.062300
-    1SOL     H6    6  -0.086378   0.003793   0.181537
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004875  -0.121036   0.084794
-    0SOL     H2    2  -0.039640  -0.201294   0.111990
-    0SOL     H3    3   0.056627  -0.095268   0.161083
-    1SOL     O4    4  -0.003702   0.130319  -0.089980
-    1SOL     H5    5   0.017043   0.069225  -0.160687
-    1SOL     H6    6  -0.051894   0.077705  -0.026171
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153305   0.023866   0.025648
-    0SOL     H2    2   0.193543  -0.062802   0.031299
-    0SOL     H3    3   0.061365   0.006375   0.005562
-    1SOL     O4    4  -0.145409  -0.020796  -0.028205
-    1SOL     H5    5  -0.197539   0.056030  -0.051497
-    1SOL     H6    6  -0.181338  -0.049639   0.055696
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.082734  -0.114123  -0.060756
-    0SOL     H2    2   0.066902  -0.141687   0.029532
-    0SOL     H3    3   0.177454  -0.101219  -0.065650
-    1SOL     O4    4  -0.091400   0.120586   0.056203
-    1SOL     H5    5  -0.075541   0.054999   0.124094
-    1SOL     H6    6  -0.035438   0.093721  -0.016659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024865  -0.106860   0.114504
-    0SOL     H2    2  -0.094906  -0.168846   0.094151
-    0SOL     H3    3  -0.029662  -0.041479   0.044757
-    1SOL     O4    4   0.030071   0.109079  -0.102877
-    1SOL     H5    5   0.096924   0.093680  -0.169628
-    1SOL     H6    6  -0.052744   0.090407  -0.147097
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054822  -0.032853   0.149526
-    0SOL     H2    2   0.120881  -0.100850   0.136295
-    0SOL     H3    3   0.038403   0.002026   0.061912
-    1SOL     O4    4  -0.056084   0.036885  -0.136907
-    1SOL     H5    5  -0.021405   0.068190  -0.220452
-    1SOL     H6    6  -0.121284  -0.028881  -0.161118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015630   0.014176  -0.164162
-    0SOL     H2    2  -0.102821   0.045720  -0.140388
-    0SOL     H3    3   0.020094  -0.021269  -0.082739
-    1SOL     O4    4   0.021549  -0.009505   0.154327
-    1SOL     H5    5   0.064905  -0.087257   0.189501
-    1SOL     H6    6  -0.068605  -0.015979   0.185834
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127809  -0.032327  -0.086082
-    0SOL     H2    2  -0.197629  -0.072874  -0.137497
-    0SOL     H3    3  -0.122342  -0.085648  -0.006777
-    1SOL     O4    4   0.132971   0.039107   0.090542
-    1SOL     H5    5   0.089379   0.094209   0.025535
-    1SOL     H6    6   0.145720  -0.044775   0.046228
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084071   0.138864  -0.018855
-    0SOL     H2    2  -0.040156   0.062291  -0.055874
-    0SOL     H3    3  -0.174001   0.132871  -0.051088
-    1SOL     O4    4   0.087670  -0.131413   0.016461
-    1SOL     H5    5   0.146467  -0.142767   0.091136
-    1SOL     H6    6   0.007825  -0.177890   0.041500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042391   0.075104  -0.144605
-    0SOL     H2    2   0.014081   0.133336  -0.093789
-    0SOL     H3    3  -0.110824   0.048448  -0.083215
-    1SOL     O4    4   0.044470  -0.074042   0.144737
-    1SOL     H5    5  -0.036669  -0.114655   0.114253
-    1SOL     H6    6   0.103477  -0.078914   0.069526
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070000  -0.042656  -0.146437
-    0SOL     H2    2   0.159188  -0.067839  -0.122488
-    0SOL     H3    3   0.035596  -0.118363  -0.193841
-    1SOL     O4    4  -0.073243   0.040475   0.148058
-    1SOL     H5    5  -0.051223   0.095700   0.073041
-    1SOL     H6    6  -0.086802   0.102081   0.220053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020612  -0.153278  -0.090161
-    0SOL     H2    2  -0.072708  -0.194314  -0.021136
-    0SOL     H3    3  -0.068868  -0.073702  -0.112552
-    1SOL     O4    4   0.021805   0.154624   0.091051
-    1SOL     H5    5   0.117353   0.157573   0.095969
-    1SOL     H6    6   0.003337   0.094889   0.018573
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083369   0.158696  -0.048088
-    0SOL     H2    2  -0.089086   0.085331  -0.109301
-    0SOL     H3    3  -0.150128   0.140114   0.017945
-    1SOL     O4    4   0.086062  -0.158614   0.051890
-    1SOL     H5    5   0.097233  -0.164071  -0.043019
-    1SOL     H6    6   0.100310  -0.066222   0.072459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095433  -0.141810   0.075032
-    0SOL     H2    2   0.180047  -0.108888   0.105346
-    0SOL     H3    3   0.042399  -0.063211   0.061925
-    1SOL     O4    4  -0.094933   0.142099  -0.076918
-    1SOL     H5    5  -0.150809   0.109346  -0.006438
-    1SOL     H6    6  -0.079198   0.065777  -0.132503
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045512   0.131523   0.125795
-    0SOL     H2    2  -0.019249   0.112364   0.193627
-    0SOL     H3    3   0.114909   0.067145   0.140001
-    1SOL     O4    4  -0.048955  -0.121228  -0.129167
-    1SOL     H5    5   0.039672  -0.134667  -0.162740
-    1SOL     H6    6  -0.082430  -0.209569  -0.113751
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017810   0.134862  -0.124238
-    0SOL     H2    2  -0.043260   0.208525  -0.121681
-    0SOL     H3    3   0.104015   0.175460  -0.133331
-    1SOL     O4    4  -0.018570  -0.144807   0.129522
-    1SOL     H5    5  -0.001938  -0.051281   0.117751
-    1SOL     H6    6  -0.054090  -0.173634   0.045441
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012964  -0.182527  -0.058525
-    0SOL     H2    2   0.046193  -0.272282  -0.059947
-    0SOL     H3    3   0.036297  -0.146936  -0.144264
-    1SOL     O4    4  -0.015325   0.180656   0.068433
-    1SOL     H5    5  -0.085510   0.183942   0.003428
-    1SOL     H6    6   0.037572   0.258410   0.050589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107576  -0.164376  -0.016499
-    0SOL     H2    2  -0.176371  -0.214914  -0.059806
-    0SOL     H3    3  -0.144151  -0.142603   0.069236
-    1SOL     O4    4   0.108454   0.165574   0.019167
-    1SOL     H5    5   0.110548   0.131152  -0.070125
-    1SOL     H6    6   0.192475   0.210215   0.029655
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116669   0.166366  -0.004738
-    0SOL     H2    2   0.138404   0.232068  -0.070868
-    0SOL     H3    3   0.118418   0.214237   0.078134
-    1SOL     O4    4  -0.116125  -0.175964  -0.001762
-    1SOL     H5    5  -0.114228  -0.080783   0.008210
-    1SOL     H6    6  -0.149232  -0.208220   0.082058
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015939  -0.173268  -0.127114
-    0SOL     H2    2   0.067826  -0.139439  -0.158758
-    0SOL     H3    3  -0.007742  -0.172267  -0.031751
-    1SOL     O4    4   0.013403   0.172056   0.117369
-    1SOL     H5    5   0.025355   0.230424   0.192286
-    1SOL     H6    6  -0.040092   0.100244   0.151190
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025133  -0.065037  -0.203899
-    0SOL     H2    2   0.022041  -0.017121  -0.272024
-    0SOL     H3    3  -0.062557   0.003162  -0.148125
-    1SOL     O4    4   0.026951   0.063279   0.201268
-    1SOL     H5    5   0.044456  -0.029429   0.185109
-    1SOL     H6    6  -0.032231   0.063771   0.276498
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041398   0.112128  -0.184442
-    0SOL     H2    2  -0.003575   0.189335  -0.218776
-    0SOL     H3    3   0.126145   0.145053  -0.154505
-    1SOL     O4    4  -0.037999  -0.116861   0.181088
-    1SOL     H5    5  -0.070041  -0.072915   0.259855
-    1SOL     H6    6  -0.104981  -0.182276   0.161172
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102057   0.176976   0.088117
-    0SOL     H2    2   0.100124   0.197136   0.181670
-    0SOL     H3    3   0.191001   0.145382   0.072209
-    1SOL     O4    4  -0.104937  -0.169562  -0.092295
-    1SOL     H5    5  -0.113399  -0.223310  -0.013543
-    1SOL     H6    6  -0.123165  -0.229722  -0.164481
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070458  -0.211627  -0.035619
-    0SOL     H2    2   0.062874  -0.297789   0.005379
-    0SOL     H3    3   0.160094  -0.208778  -0.069080
-    1SOL     O4    4  -0.077634   0.221685   0.037813
-    1SOL     H5    5  -0.027967   0.214121  -0.043663
-    1SOL     H6    6  -0.079267   0.132787   0.073265
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011765   0.179995  -0.149044
-    0SOL     H2    2   0.054709   0.173276  -0.217589
-    0SOL     H3    3  -0.090047   0.211110  -0.194498
-    1SOL     O4    4   0.012038  -0.176452   0.150392
-    1SOL     H5    5   0.077740  -0.245971   0.153942
-    1SOL     H6    6  -0.044680  -0.193169   0.225665
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.213194   0.060342   0.122765
-    0SOL     H2    2  -0.148096   0.035125   0.188253
-    0SOL     H3    3  -0.240856  -0.022376   0.083333
-    1SOL     O4    4   0.210850  -0.049130  -0.129895
-    1SOL     H5    5   0.244173  -0.138862  -0.129658
-    1SOL     H6    6   0.179010  -0.035119  -0.040720
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.188728   0.073654  -0.148381
-    0SOL     H2    2  -0.271812   0.100856  -0.109402
-    0SOL     H3    3  -0.137199   0.154148  -0.153654
-    1SOL     O4    4   0.189698  -0.081664   0.140682
-    1SOL     H5    5   0.204427  -0.127135   0.223614
-    1SOL     H6    6   0.182916   0.010710   0.164835
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063210  -0.224406  -0.121487
-    0SOL     H2    2  -0.042136  -0.302182  -0.069823
-    0SOL     H3    3  -0.001167  -0.158039  -0.091348
-    1SOL     O4    4   0.054260   0.220346   0.115412
-    1SOL     H5    5   0.118561   0.220231   0.186318
-    1SOL     H6    6   0.066604   0.304735   0.071957
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116135  -0.178390   0.175104
-    0SOL     H2    2   0.191817  -0.221730   0.135656
-    0SOL     H3    3   0.040536  -0.217734   0.131524
-    1SOL     O4    4  -0.116493   0.185291  -0.176386
-    1SOL     H5    5  -0.188263   0.166143  -0.116015
-    1SOL     H6    6  -0.037215   0.166407  -0.126180
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027169  -0.262236   0.141204
-    0SOL     H2    2   0.032120  -0.229967   0.231185
-    0SOL     H3    3   0.029889  -0.183252   0.087200
-    1SOL     O4    4  -0.026652   0.249515  -0.144408
-    1SOL     H5    5  -0.075694   0.290793  -0.073321
-    1SOL     H6    6   0.007375   0.322763  -0.195781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094681  -0.243427  -0.134215
-    0SOL     H2    2  -0.171149  -0.263499  -0.080251
-    0SOL     H3    3  -0.130943  -0.203690  -0.213388
-    1SOL     O4    4   0.102298   0.239514   0.141474
-    1SOL     H5    5   0.023923   0.273735   0.098477
-    1SOL     H6    6   0.172770   0.254652   0.078491
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101867   0.135034  -0.260265
-    0SOL     H2    2   0.125198   0.217199  -0.303473
-    0SOL     H3    3   0.099139   0.070637  -0.331031
-    1SOL     O4    4  -0.104032  -0.133169   0.273094
-    1SOL     H5    5  -0.074288  -0.222358   0.255120
-    1SOL     H6    6  -0.115744  -0.093887   0.186594
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079688  -0.338492  -0.010209
-    0SOL     H2    2  -0.169502  -0.305427  -0.008620
-    0SOL     H3    3  -0.049015  -0.328982   0.079963
-    1SOL     O4    4   0.080527   0.333615  -0.000728
-    1SOL     H5    5   0.086290   0.424791   0.027840
-    1SOL     H6    6   0.124104   0.283962   0.068539
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026324   0.332122   0.146667
-    0SOL     H2    2  -0.066002   0.274821   0.081058
-    0SOL     H3    3  -0.050456   0.420539   0.119054
-    1SOL     O4    4   0.031239  -0.331008  -0.147104
-    1SOL     H5    5   0.088852  -0.391170  -0.099949
-    1SOL     H6    6  -0.048079  -0.326909  -0.093679
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105741   0.367178   0.025925
-    0SOL     H2    2   0.091594   0.452432   0.067083
-    0SOL     H3    3   0.193669   0.341440   0.053648
-    1SOL     O4    4  -0.107650  -0.375804  -0.025606
-    1SOL     H5    5  -0.172542  -0.308200  -0.006083
-    1SOL     H6    6  -0.080937  -0.358095  -0.115801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.226954  -0.038048   0.350954
-    0SOL     H2    2   0.137801  -0.038143   0.385798
-    0SOL     H3    3   0.268526  -0.114307   0.391187
-    1SOL     O4    4  -0.227690   0.048154  -0.356898
-    1SOL     H5    5  -0.146240   0.010029  -0.389682
-    1SOL     H6    6  -0.258045  -0.013632  -0.290390
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040190   0.267350   0.385557
-    0SOL     H2    2   0.028686   0.317708   0.428944
-    0SOL     H3    3  -0.092673   0.332991   0.339741
-    1SOL     O4    4   0.037766  -0.280996  -0.386648
-    1SOL     H5    5   0.124749  -0.242673  -0.375350
-    1SOL     H6    6  -0.022398  -0.207136  -0.377304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099874   0.462913  -0.270700
-    0SOL     H2    2   0.041086   0.422362  -0.206967
-    0SOL     H3    3   0.092770   0.556816  -0.253548
-    1SOL     O4    4  -0.101290  -0.468764   0.268258
-    1SOL     H5    5  -0.023954  -0.444744   0.319292
-    1SOL     H6    6  -0.082142  -0.437896   0.179699
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.093852  -0.497495   0.369630
-    0SOL     H2    2   0.145654  -0.495451   0.289164
-    0SOL     H3    3   0.058175  -0.409018   0.377458
-    1SOL     O4    4  -0.095038   0.490088  -0.371490
-    1SOL     H5    5  -0.063689   0.445629  -0.292731
-    1SOL     H6    6  -0.122108   0.576689  -0.340996
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040316   0.525087   0.330955
-    0SOL     H2    2   0.124506   0.542655   0.288935
-    0SOL     H3    3   0.017110   0.607573   0.373614
-    1SOL     O4    4  -0.040161  -0.531273  -0.336455
-    1SOL     H5    5  -0.021508  -0.562350  -0.247863
-    1SOL     H6    6  -0.126702  -0.490885  -0.329996
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.451526   0.267004   0.352013
-    0SOL     H2    2   0.385128   0.198560   0.360322
-    0SOL     H3    3   0.526154   0.223201   0.311095
-    1SOL     O4    4  -0.449691  -0.257084  -0.354773
-    1SOL     H5    5  -0.432689  -0.250724  -0.260790
-    1SOL     H6    6  -0.509740  -0.331131  -0.363342
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.847838  -0.062146   0.371849
-    0SOL     H2    2  -0.807055   0.014916   0.332346
-    0SOL     H3    3  -0.892328  -0.105685   0.299136
-    1SOL     O4    4   0.850278   0.066240  -0.363859
-    1SOL     H5    5   0.887544  -0.019806  -0.344633
-    1SOL     H6    6   0.773601   0.047621  -0.418047
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.832912  -0.487341   0.088283
-    0SOL     H2    2  -0.840878  -0.396864   0.058070
-    0SOL     H3    3  -0.759932  -0.485629   0.150197
-    1SOL     O4    4   0.831358   0.488408  -0.088839
-    1SOL     H5    5   0.852421   0.430877  -0.162384
-    1SOL     H6    6   0.768644   0.438491  -0.036517
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.830365  -0.093703  -0.570985
-    0SOL     H2    2   0.853110  -0.001639  -0.557978
-    0SOL     H3    3   0.741558  -0.091677  -0.606642
-    1SOL     O4    4  -0.828870   0.090267   0.578919
-    1SOL     H5    5  -0.863139   0.125476   0.496772
-    1SOL     H6    6  -0.758634   0.030987   0.552174
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103488   0.047782  -0.039975
-    0SOL     H2    2  -0.123485   0.099928  -0.117713
-    0SOL     H3    3  -0.182823   0.052793   0.013346
-    1SOL     O4    4   0.110942  -0.058695   0.042665
-    1SOL     H5    5   0.028376  -0.016330   0.019202
-    1SOL     H6    6   0.173658   0.013264   0.049800
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005985   0.110312   0.059429
-    0SOL     H2    2  -0.080606   0.109618   0.119375
-    0SOL     H3    3  -0.016819   0.190663   0.008550
-    1SOL     O4    4   0.008074  -0.118936  -0.063836
-    1SOL     H5    5   0.083654  -0.138583  -0.008483
-    1SOL     H6    6  -0.011499  -0.026959  -0.045963
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090618   0.086929   0.015143
-    0SOL     H2    2   0.085655   0.072828   0.109689
-    0SOL     H3    3   0.182829   0.106588  -0.001381
-    1SOL     O4    4  -0.094080  -0.093645  -0.018133
-    1SOL     H5    5  -0.044205  -0.012529  -0.008389
-    1SOL     H6    6  -0.178558  -0.065777  -0.053477
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021659   0.079718   0.108627
-    0SOL     H2    2   0.022255   0.023274   0.031322
-    0SOL     H3    3   0.088507   0.042417   0.166092
-    1SOL     O4    4  -0.023032  -0.067900  -0.105662
-    1SOL     H5    5  -0.114552  -0.095288  -0.111683
-    1SOL     H6    6   0.027005  -0.146128  -0.128878
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045845   0.003651  -0.119282
-    0SOL     H2    2   0.110580   0.074026  -0.114912
-    0SOL     H3    3   0.065241  -0.041740  -0.201293
-    1SOL     O4    4  -0.057974  -0.006616   0.123319
-    1SOL     H5    5  -0.009487   0.017617   0.202212
-    1SOL     H6    6   0.008075  -0.008058   0.054053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068702  -0.117403  -0.017609
-    0SOL     H2    2  -0.056663  -0.025153   0.004915
-    0SOL     H3    3  -0.099572  -0.158048   0.063369
-    1SOL     O4    4   0.066073   0.110260   0.015233
-    1SOL     H5    5   0.159877   0.103961  -0.002751
-    1SOL     H6    6   0.037201   0.186817  -0.034446
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058819  -0.061560   0.097090
-    0SOL     H2    2   0.033151  -0.143121   0.140117
-    0SOL     H3    3   0.085584  -0.004016   0.168747
-    1SOL     O4    4  -0.055936   0.068482  -0.105214
-    1SOL     H5    5  -0.140523   0.039726  -0.139570
-    1SOL     H6    6  -0.026277  -0.004244  -0.050500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072041   0.105060   0.032605
-    0SOL     H2    2   0.075763   0.058818   0.116331
-    0SOL     H3    3   0.119602   0.186665   0.048125
-    1SOL     O4    4  -0.075628  -0.114025  -0.037532
-    1SOL     H5    5  -0.127037  -0.062019  -0.099296
-    1SOL     H6    6  -0.016682  -0.050907   0.003744
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.096030   0.098945  -0.033203
-    0SOL     H2    2   0.060749   0.009967  -0.032582
-    0SOL     H3    3   0.102396   0.122883   0.059257
-    1SOL     O4    4  -0.093150  -0.088792   0.030312
-    1SOL     H5    5  -0.131660  -0.119470  -0.051774
-    1SOL     H6    6  -0.076814  -0.168657   0.080481
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009584   0.073178   0.109169
-    0SOL     H2    2   0.057469   0.114084   0.163876
-    0SOL     H3    3  -0.067634   0.029151   0.171251
-    1SOL     O4    4   0.014300  -0.075658  -0.119206
-    1SOL     H5    5   0.014422  -0.020248  -0.041154
-    1SOL     H6    6  -0.078340  -0.086901  -0.140510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092296   0.085531  -0.037954
-    0SOL     H2    2  -0.059336   0.170923  -0.065958
-    0SOL     H3    3  -0.160576   0.064135  -0.101534
-    1SOL     O4    4   0.099429  -0.090557   0.039400
-    1SOL     H5    5   0.088783  -0.129677   0.126110
-    1SOL     H6    6   0.021285  -0.036531   0.027689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092661   0.001322  -0.105935
-    0SOL     H2    2   0.027575  -0.022062  -0.039758
-    0SOL     H3    3   0.086969  -0.068672  -0.170979
-    1SOL     O4    4  -0.084654  -0.001182   0.102840
-    1SOL     H5    5  -0.059089   0.086684   0.130916
-    1SOL     H6    6  -0.178201  -0.006373   0.122445
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013419  -0.040395   0.137302
-    0SOL     H2    2   0.015063  -0.043450   0.041644
-    0SOL     H3    3  -0.060191   0.017108   0.158215
-    1SOL     O4    4  -0.009878   0.037284  -0.127288
-    1SOL     H5    5  -0.062795  -0.009390  -0.191970
-    1SOL     H6    6   0.057840   0.081125  -0.178810
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041769  -0.098332  -0.078700
-    0SOL     H2    2  -0.023962  -0.083265  -0.171534
-    0SOL     H3    3  -0.021413  -0.190864  -0.065069
-    1SOL     O4    4   0.035059   0.105921   0.087319
-    1SOL     H5    5   0.129888   0.118828   0.085542
-    1SOL     H6    6   0.018443   0.040656   0.019299
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080362   0.047663   0.109698
-    0SOL     H2    2   0.005212   0.091791   0.149290
-    0SOL     H3    3   0.043227  -0.002547   0.037156
-    1SOL     O4    4  -0.069847  -0.047357  -0.102850
-    1SOL     H5    5  -0.074778  -0.107437  -0.177204
-    1SOL     H6    6  -0.142085   0.013906  -0.116667
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024168  -0.047671   0.133813
-    0SOL     H2    2  -0.030176  -0.017824   0.043064
-    0SOL     H3    3   0.028527  -0.127459   0.129395
-    1SOL     O4    4   0.026179   0.049566  -0.123277
-    1SOL     H5    5  -0.023378  -0.019287  -0.167611
-    1SOL     H6    6  -0.004181   0.130831  -0.163732
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096113  -0.043467   0.090428
-    0SOL     H2    2  -0.033132  -0.114730   0.101255
-    0SOL     H3    3  -0.166589  -0.081486   0.037987
-    1SOL     O4    4   0.102459   0.049275  -0.088349
-    1SOL     H5    5   0.051602   0.107828  -0.144452
-    1SOL     H6    6   0.038047   0.011447  -0.028496
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052676  -0.016792  -0.134501
-    0SOL     H2    2  -0.030100   0.023093  -0.050466
-    0SOL     H3    3  -0.019974  -0.106520  -0.128035
-    1SOL     O4    4   0.052076   0.013606   0.126751
-    1SOL     H5    5  -0.037726   0.031159   0.154855
-    1SOL     H6    6   0.099229   0.094904   0.144903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033389  -0.141077  -0.003298
-    0SOL     H2    2   0.004394  -0.052958   0.020293
-    0SOL     H3    3   0.103586  -0.127037  -0.066840
-    1SOL     O4    4  -0.030855   0.132721   0.009288
-    1SOL     H5    5  -0.033878   0.147004  -0.085312
-    1SOL     H6    6  -0.115759   0.163570   0.040941
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135073   0.008019  -0.050034
-    0SOL     H2    2   0.045530   0.007437  -0.016210
-    0SOL     H3    3   0.167995   0.095472  -0.029288
-    1SOL     O4    4  -0.134041  -0.006363   0.047786
-    1SOL     H5    5  -0.077364  -0.056589   0.106330
-    1SOL     H6    6  -0.153259  -0.066336  -0.024299
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135644   0.009635  -0.025350
-    0SOL     H2    2   0.161986  -0.039123  -0.103396
-    0SOL     H3    3   0.157030  -0.048503   0.047622
-    1SOL     O4    4  -0.144145  -0.007142   0.021739
-    1SOL     H5    5  -0.157514   0.054398   0.093825
-    1SOL     H6    6  -0.049458  -0.007476   0.007719
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106591   0.039951   0.078097
-    0SOL     H2    2  -0.116375   0.127012   0.116658
-    0SOL     H3    3  -0.081378  -0.016103   0.151476
-    1SOL     O4    4   0.109356  -0.037442  -0.088142
-    1SOL     H5    5   0.039600  -0.011637  -0.027888
-    1SOL     H6    6   0.114050  -0.132703  -0.080034
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036701   0.051078   0.120548
-    0SOL     H2    2  -0.017843   0.024727   0.194662
-    0SOL     H3    3   0.051257   0.144783   0.133582
-    1SOL     O4    4  -0.038671  -0.059417  -0.124173
-    1SOL     H5    5   0.016744  -0.004049  -0.069166
-    1SOL     H6    6  -0.014553  -0.036006  -0.213797
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085796   0.068252  -0.093410
-    0SOL     H2    2  -0.050376   0.134012  -0.153271
-    0SOL     H3    3  -0.008633   0.024465  -0.057479
-    1SOL     O4    4   0.082221  -0.063433   0.092896
-    1SOL     H5    5   0.101597  -0.150487   0.058132
-    1SOL     H6    6   0.013092  -0.078205   0.157436
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137292  -0.020093  -0.044913
-    0SOL     H2    2   0.119922  -0.038134  -0.137299
-    0SOL     H3    3   0.050529  -0.013383  -0.005046
-    1SOL     O4    4  -0.124969   0.022457   0.046431
-    1SOL     H5    5  -0.166647   0.020719   0.132583
-    1SOL     H6    6  -0.194046  -0.004298  -0.014190
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109966   0.073509   0.039795
-    0SOL     H2    2   0.110028   0.035808   0.127778
-    0SOL     H3    3   0.200628   0.065446   0.010167
-    1SOL     O4    4  -0.115299  -0.076465  -0.047377
-    1SOL     H5    5  -0.041605  -0.018889  -0.026968
-    1SOL     H6    6  -0.188030  -0.041525   0.004116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085877   0.096140   0.050996
-    0SOL     H2    2   0.016619   0.143591   0.005017
-    0SOL     H3    3   0.104034   0.149318   0.128487
-    1SOL     O4    4  -0.087993  -0.099608  -0.056405
-    1SOL     H5    5  -0.068430  -0.192215  -0.042141
-    1SOL     H6    6  -0.017176  -0.052997  -0.011968
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124248  -0.009102  -0.062568
-    0SOL     H2    2   0.170921  -0.038591   0.015626
-    0SOL     H3    3   0.162115   0.076582  -0.082235
-    1SOL     O4    4  -0.134257   0.004134   0.062635
-    1SOL     H5    5  -0.082019   0.082966   0.077433
-    1SOL     H6    6  -0.090422  -0.040447  -0.009845
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052789  -0.130635   0.010338
-    0SOL     H2    2  -0.070565  -0.128092  -0.083682
-    0SOL     H3    3   0.018679  -0.193641   0.019555
-    1SOL     O4    4   0.048915   0.138974  -0.010176
-    1SOL     H5    5   0.019640   0.047841  -0.010311
-    1SOL     H6    6   0.093646   0.149687   0.073769
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021045   0.019282   0.141145
-    0SOL     H2    2   0.001419   0.104940   0.177483
-    0SOL     H3    3  -0.099249   0.035370   0.088347
-    1SOL     O4    4   0.018884  -0.022275  -0.142599
-    1SOL     H5    5   0.076115  -0.085126  -0.186605
-    1SOL     H6    6   0.057679  -0.011172  -0.055801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099345   0.088735  -0.061161
-    0SOL     H2    2   0.170376   0.073282  -0.123436
-    0SOL     H3    3   0.071006   0.001168  -0.034868
-    1SOL     O4    4  -0.095828  -0.081457   0.060533
-    1SOL     H5    5  -0.151694  -0.156870   0.041714
-    1SOL     H6    6  -0.144823  -0.030880   0.125369
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029660  -0.131572   0.061420
-    0SOL     H2    2   0.015644  -0.086049   0.144447
-    0SOL     H3    3  -0.056260  -0.131534   0.019228
-    1SOL     O4    4  -0.020534   0.133289  -0.066741
-    1SOL     H5    5  -0.116102   0.128010  -0.067846
-    1SOL     H6    6   0.006828   0.061212  -0.010010
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039773  -0.025689   0.142127
-    0SOL     H2    2   0.020215  -0.020459   0.048573
-    0SOL     H3    3   0.127708   0.011215   0.150361
-    1SOL     O4    4  -0.042828   0.023813  -0.130352
-    1SOL     H5    5   0.008287   0.060004  -0.202739
-    1SOL     H6    6  -0.113658  -0.024576  -0.172827
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045036   0.076098   0.113601
-    0SOL     H2    2  -0.069016   0.020137   0.187463
-    0SOL     H3    3  -0.127700   0.092814   0.068327
-    1SOL     O4    4   0.051707  -0.070349  -0.121933
-    1SOL     H5    5   0.068182  -0.162989  -0.104367
-    1SOL     H6    6   0.031743  -0.032839  -0.036161
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056738   0.138176  -0.025498
-    0SOL     H2    2   0.010245   0.069934  -0.029819
-    0SOL     H3    3  -0.077256   0.145798   0.067686
-    1SOL     O4    4   0.053761  -0.132255   0.014368
-    1SOL     H5    5  -0.017004  -0.170943   0.065922
-    1SOL     H6    6   0.130621  -0.137802   0.071149
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125084   0.027800  -0.083059
-    0SOL     H2    2   0.075003   0.002317  -0.005568
-    0SOL     H3    3   0.076676   0.101832  -0.119642
-    1SOL     O4    4  -0.113135  -0.032979   0.079576
-    1SOL     H5    5  -0.172175   0.000560   0.012109
-    1SOL     H6    6  -0.162352  -0.023963   0.161176
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116654   0.004986   0.097444
-    0SOL     H2    2   0.165120   0.068804   0.045093
-    0SOL     H3    3   0.052941  -0.032505   0.036637
-    1SOL     O4    4  -0.112933  -0.011895  -0.092013
-    1SOL     H5    5  -0.102279   0.071395  -0.137965
-    1SOL     H6    6  -0.177606   0.006399  -0.023858
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035021   0.136095  -0.054686
-    0SOL     H2    2   0.032390   0.101305   0.034450
-    0SOL     H3    3   0.118958   0.106188  -0.089652
-    1SOL     O4    4  -0.035374  -0.135006   0.055405
-    1SOL     H5    5  -0.112657  -0.084952   0.081563
-    1SOL     H6    6  -0.038225  -0.135301  -0.040272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018756   0.106188   0.098438
-    0SOL     H2    2  -0.020787   0.163048   0.032366
-    0SOL     H3    3   0.109242   0.136651   0.105268
-    1SOL     O4    4  -0.026789  -0.110955  -0.100367
-    1SOL     H5    5   0.039552  -0.178757  -0.087558
-    1SOL     H6    6  -0.012022  -0.049109  -0.028818
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053764   0.006807   0.139682
-    0SOL     H2    2   0.034085   0.071616   0.207320
-    0SOL     H3    3  -0.020633   0.011441   0.079633
-    1SOL     O4    4  -0.045155  -0.015731  -0.139207
-    1SOL     H5    5  -0.139719  -0.005074  -0.128896
-    1SOL     H6    6  -0.014139   0.070546  -0.166714
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073849   0.059150   0.106302
-    0SOL     H2    2  -0.084984  -0.013755   0.167319
-    0SOL     H3    3  -0.113018   0.134129   0.151093
-    1SOL     O4    4   0.075698  -0.065309  -0.114214
-    1SOL     H5    5   0.046183  -0.016938  -0.037068
-    1SOL     H6    6   0.128022  -0.002154  -0.163570
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.117788  -0.063570  -0.067457
-    0SOL     H2    2  -0.177029   0.000167  -0.107337
-    0SOL     H3    3  -0.051792  -0.080359  -0.134724
-    1SOL     O4    4   0.121106   0.066369   0.071436
-    1SOL     H5    5   0.040808   0.029557   0.034566
-    1SOL     H6    6   0.140450   0.010890   0.147002
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061597  -0.051257   0.130393
-    0SOL     H2    2   0.017831  -0.136374   0.131781
-    0SOL     H3    3   0.122959  -0.057015   0.057154
-    1SOL     O4    4  -0.059234   0.062530  -0.126805
-    1SOL     H5    5  -0.051281  -0.000518  -0.055224
-    1SOL     H6    6  -0.127067   0.025952  -0.183577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061484  -0.137594   0.037233
-    0SOL     H2    2  -0.069386  -0.045479   0.012440
-    0SOL     H3    3  -0.083475  -0.185864  -0.042446
-    1SOL     O4    4   0.060423   0.131006  -0.026640
-    1SOL     H5    5   0.113113   0.107506  -0.103019
-    1SOL     H6    6   0.052959   0.226333  -0.031043
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009354  -0.051910   0.137705
-    0SOL     H2    2   0.103157  -0.063236   0.153034
-    0SOL     H3    3  -0.031106  -0.128134   0.179120
-    1SOL     O4    4  -0.005979   0.058354  -0.143122
-    1SOL     H5    5  -0.040621   0.080981  -0.056807
-    1SOL     H6    6  -0.076928   0.010113  -0.185564
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097857  -0.077765   0.092029
-    0SOL     H2    2  -0.028570  -0.022287   0.056198
-    0SOL     H3    3  -0.057970  -0.119772   0.168231
-    1SOL     O4    4   0.092571   0.073942  -0.088424
-    1SOL     H5    5   0.071901   0.166587  -0.100749
-    1SOL     H6    6   0.088500   0.036529  -0.176435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.086020   0.089264  -0.084997
-    0SOL     H2    2  -0.004532   0.104629  -0.111953
-    0SOL     H3    3   0.138545   0.118912  -0.159323
-    1SOL     O4    4  -0.085742  -0.094729   0.095457
-    1SOL     H5    5   0.000847  -0.078348   0.058090
-    1SOL     H6    6  -0.146335  -0.050800   0.035783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030504  -0.032677   0.143344
-    0SOL     H2    2   0.039068  -0.024639   0.208593
-    0SOL     H3    3  -0.062942  -0.122131   0.153744
-    1SOL     O4    4   0.033751   0.035401  -0.151635
-    1SOL     H5    5  -0.054556   0.047918  -0.186385
-    1SOL     H6    6   0.027110   0.060669  -0.059550
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118302   0.086403  -0.052078
-    0SOL     H2    2  -0.135963   0.179763  -0.063668
-    0SOL     H3    3  -0.025260   0.082138  -0.030007
-    1SOL     O4    4   0.110213  -0.086958   0.055073
-    1SOL     H5    5   0.196152  -0.076877   0.014144
-    1SOL     H6    6   0.085789  -0.177832   0.037531
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070544  -0.080459   0.107748
-    0SOL     H2    2  -0.130837  -0.144888   0.070654
-    0SOL     H3    3   0.003483  -0.132269   0.139341
-    1SOL     O4    4   0.069026   0.093921  -0.110004
-    1SOL     H5    5   0.010068   0.035810  -0.061948
-    1SOL     H6    6   0.151532   0.045646  -0.114959
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.141882  -0.033238  -0.062299
-    0SOL     H2    2   0.199355   0.033164  -0.100376
-    0SOL     H3    3   0.062650   0.014669  -0.038017
-    1SOL     O4    4  -0.135901   0.021513   0.062596
-    1SOL     H5    5  -0.135046   0.109134   0.024072
-    1SOL     H6    6  -0.218636   0.017181   0.110538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076351   0.139198   0.000010
-    0SOL     H2    2  -0.165192   0.174345   0.005867
-    0SOL     H3    3  -0.037975   0.156517   0.085973
-    1SOL     O4    4   0.084569  -0.145777  -0.004518
-    1SOL     H5    5   0.032509  -0.114246   0.069359
-    1SOL     H6    6   0.040092  -0.110981  -0.081806
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046915  -0.106213   0.122104
-    0SOL     H2    2  -0.017553  -0.040061   0.097001
-    0SOL     H3    3   0.130380  -0.059356   0.122738
-    1SOL     O4    4  -0.049090   0.093891  -0.118076
-    1SOL     H5    5  -0.114917   0.157281  -0.146553
-    1SOL     H6    6   0.034674   0.136843  -0.135427
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066861   0.147186  -0.014017
-    0SOL     H2    2  -0.116683   0.208160   0.040410
-    0SOL     H3    3   0.021330   0.148375   0.023175
-    1SOL     O4    4   0.066757  -0.147665   0.013933
-    1SOL     H5    5   0.083266  -0.128830  -0.078452
-    1SOL     H6    6   0.007295  -0.222669   0.012880
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126787  -0.070448   0.077775
-    0SOL     H2    2   0.097780  -0.122476   0.152702
-    0SOL     H3    3   0.099446  -0.121148   0.001327
-    1SOL     O4    4  -0.122804   0.078335  -0.083511
-    1SOL     H5    5  -0.090263   0.119009  -0.003205
-    1SOL     H6    6  -0.169531   0.000309  -0.053663
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053427   0.085967  -0.134923
-    0SOL     H2    2  -0.067340   0.029653  -0.211064
-    0SOL     H3    3  -0.056605   0.026365  -0.060091
-    1SOL     O4    4   0.049039  -0.074967   0.135316
-    1SOL     H5    5   0.061391  -0.146037   0.072396
-    1SOL     H6    6   0.127371  -0.077676   0.190262
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065638  -0.133128   0.071047
-    0SOL     H2    2   0.036832  -0.094146   0.153588
-    0SOL     H3    3   0.161205  -0.132873   0.076449
-    1SOL     O4    4  -0.070524   0.137760  -0.074990
-    1SOL     H5    5  -0.004520   0.098415  -0.132066
-    1SOL     H6    6  -0.117984   0.063204  -0.038232
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130306   0.046784   0.093182
-    0SOL     H2    2  -0.164349   0.061694   0.004972
-    0SOL     H3    3  -0.122661   0.134352   0.131075
-    1SOL     O4    4   0.135870  -0.054680  -0.095121
-    1SOL     H5    5   0.150713   0.017018  -0.033466
-    1SOL     H6    6   0.048812  -0.087739  -0.072976
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007728  -0.166715  -0.006463
-    0SOL     H2    2  -0.002368  -0.201925  -0.095310
-    0SOL     H3    3   0.065422  -0.207432   0.039943
-    1SOL     O4    4   0.004327   0.175662   0.003525
-    1SOL     H5    5  -0.007318   0.195637   0.096411
-    1SOL     H6    6  -0.001705   0.080261  -0.001446
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063158   0.103780  -0.127127
-    0SOL     H2    2   0.069391   0.056806  -0.210295
-    0SOL     H3    3  -0.028201   0.093425  -0.100505
-    1SOL     O4    4  -0.057132  -0.094681   0.127341
-    1SOL     H5    5  -0.120705  -0.162847   0.105566
-    1SOL     H6    6  -0.012412  -0.127594   0.205310
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066294  -0.001673   0.167346
-    0SOL     H2    2   0.025140  -0.029968   0.168584
-    0SOL     H3    3  -0.114490  -0.074518   0.206501
-    1SOL     O4    4   0.060628   0.005956  -0.175099
-    1SOL     H5    5   0.154806   0.000848  -0.158768
-    1SOL     H6    6   0.023560   0.036704  -0.092378
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072083  -0.058578  -0.156812
-    0SOL     H2    2   0.114006  -0.024126  -0.235665
-    0SOL     H3    3  -0.017501  -0.025082  -0.160673
-    1SOL     O4    4  -0.074315   0.051877   0.164225
-    1SOL     H5    5  -0.004209   0.004956   0.118993
-    1SOL     H6    6  -0.047313   0.143673   0.161641
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161965   0.004230   0.097266
-    0SOL     H2    2  -0.114853  -0.052838   0.157978
-    0SOL     H3    3  -0.190138  -0.053912   0.026639
-    1SOL     O4    4   0.156324   0.004151  -0.092300
-    1SOL     H5    5   0.165116  -0.078350  -0.140035
-    1SOL     H6    6   0.230009   0.057291  -0.122449
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008286   0.030883  -0.191598
-    0SOL     H2    2   0.042757  -0.047133  -0.235045
-    0SOL     H3    3  -0.086270   0.026463  -0.205809
-    1SOL     O4    4  -0.008277  -0.020507   0.193078
-    1SOL     H5    5   0.068958  -0.016519   0.249480
-    1SOL     H6    6  -0.018190  -0.113460   0.172495
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013326   0.161643  -0.116067
-    0SOL     H2    2   0.055730   0.214990  -0.155406
-    0SOL     H3    3  -0.002888   0.174584  -0.021802
-    1SOL     O4    4   0.006184  -0.162986   0.108116
-    1SOL     H5    5  -0.035124  -0.202628   0.184827
-    1SOL     H6    6   0.099770  -0.163691   0.128203
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.189051   0.080526  -0.065862
-    0SOL     H2    2  -0.223146   0.012456  -0.007842
-    0SOL     H3    3  -0.099760   0.052463  -0.085909
-    1SOL     O4    4   0.179091  -0.077100   0.064396
-    1SOL     H5    5   0.215704   0.010771   0.054375
-    1SOL     H6    6   0.255268  -0.135056   0.063754
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.154471  -0.143853   0.008816
-    0SOL     H2    2   0.188636  -0.232771  -0.000598
-    0SOL     H3    3   0.059434  -0.154857   0.011855
-    1SOL     O4    4  -0.145386   0.152729  -0.011348
-    1SOL     H5    5  -0.236198   0.166476  -0.038303
-    1SOL     H6    6  -0.151070   0.090856   0.061465
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073205  -0.196003  -0.053400
-    0SOL     H2    2  -0.017001  -0.166859   0.018392
-    0SOL     H3    3  -0.161108  -0.198438  -0.015591
-    1SOL     O4    4   0.074401   0.190178   0.041100
-    1SOL     H5    5   0.029845   0.179959   0.125199
-    1SOL     H6    6   0.127126   0.269408   0.051348
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105898   0.189491  -0.032896
-    0SOL     H2    2   0.194348   0.164773  -0.005913
-    0SOL     H3    3   0.056721   0.107374  -0.032052
-    1SOL     O4    4  -0.105117  -0.178766   0.026472
-    1SOL     H5    5  -0.123713  -0.272655   0.027655
-    1SOL     H6    6  -0.140593  -0.146230   0.109207
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039858  -0.190505  -0.112871
-    0SOL     H2    2  -0.101361  -0.245105  -0.063896
-    0SOL     H3    3   0.006070  -0.139988  -0.045782
-    1SOL     O4    4   0.035317   0.190276   0.102108
-    1SOL     H5    5   0.118768   0.147937   0.081966
-    1SOL     H6    6   0.049980   0.233378   0.186307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043439   0.120106   0.174402
-    0SOL     H2    2  -0.046254   0.214207   0.191703
-    0SOL     H3    3  -0.005544   0.082243   0.253728
-    1SOL     O4    4   0.036675  -0.119163  -0.177876
-    1SOL     H5    5   0.066800  -0.127846  -0.268316
-    1SOL     H6    6   0.089152  -0.182498  -0.128915
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011156   0.015913  -0.228397
-    0SOL     H2    2   0.034051   0.101360  -0.191833
-    0SOL     H3    3   0.032630  -0.046420  -0.159001
-    1SOL     O4    4  -0.012969  -0.015680   0.228326
-    1SOL     H5    5  -0.044263   0.038754   0.156077
-    1SOL     H6    6   0.002505  -0.101467   0.188784
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112479  -0.007068   0.204167
-    0SOL     H2    2   0.038219  -0.010831   0.143887
-    0SOL     H3    3   0.169627   0.060484   0.167656
-    1SOL     O4    4  -0.117210   0.006578  -0.202919
-    1SOL     H5    5  -0.123179  -0.031867  -0.115462
-    1SOL     H6    6  -0.024820  -0.001730  -0.226531
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003204  -0.228794  -0.012329
-    0SOL     H2    2   0.011495  -0.291975  -0.082716
-    0SOL     H3    3  -0.098205  -0.217360  -0.009795
-    1SOL     O4    4   0.010330   0.228415   0.021719
-    1SOL     H5    5   0.017949   0.322517   0.005939
-    1SOL     H6    6  -0.043026   0.196144  -0.050903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014549  -0.193431   0.148620
-    0SOL     H2    2   0.059280  -0.140400   0.082672
-    0SOL     H3    3   0.032751  -0.149076   0.231467
-    1SOL     O4    4  -0.022728   0.185421  -0.146205
-    1SOL     H5    5   0.062627   0.218121  -0.117788
-    1SOL     H6    6  -0.024237   0.201152  -0.240611
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035048  -0.091427   0.234086
-    0SOL     H2    2   0.097228  -0.154023   0.196968
-    0SOL     H3    3   0.016494  -0.125132   0.321733
-    1SOL     O4    4  -0.035169   0.094179  -0.231411
-    1SOL     H5    5  -0.123029   0.087350  -0.268778
-    1SOL     H6    6   0.011321   0.153781  -0.290137
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089595   0.248233   0.003524
-    0SOL     H2    2  -0.155407   0.199943  -0.046468
-    0SOL     H3    3  -0.013370   0.251747  -0.054266
-    1SOL     O4    4   0.090101  -0.252297   0.003233
-    1SOL     H5    5   0.122110  -0.195000  -0.066444
-    1SOL     H6    6   0.041482  -0.194144   0.061686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054794   0.221519   0.130039
-    0SOL     H2    2  -0.143741   0.255527   0.139738
-    0SOL     H3    3   0.001674   0.294041   0.156764
-    1SOL     O4    4   0.058479  -0.229979  -0.126857
-    1SOL     H5    5   0.043258  -0.136343  -0.139621
-    1SOL     H6    6   0.037002  -0.269520  -0.211342
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033539   0.291768   0.144851
-    0SOL     H2    2   0.024746   0.360616   0.078935
-    0SOL     H3    3   0.113225   0.244872   0.120088
-    1SOL     O4    4  -0.041855  -0.289514  -0.135992
-    1SOL     H5    5  -0.049746  -0.378267  -0.170964
-    1SOL     H6    6   0.042155  -0.257973  -0.169307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.174083   0.169780   0.257570
-    0SOL     H2    2   0.184007   0.195268   0.349299
-    0SOL     H3    3   0.079956   0.175455   0.241133
-    1SOL     O4    4  -0.169327  -0.164535  -0.261518
-    1SOL     H5    5  -0.188838  -0.230410  -0.194869
-    1SOL     H6    6  -0.148065  -0.215237  -0.339874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074247   0.193199   0.298097
-    0SOL     H2    2  -0.007414   0.195095   0.248194
-    0SOL     H3    3   0.087790   0.100654   0.318451
-    1SOL     O4    4  -0.067708  -0.183152  -0.299155
-    1SOL     H5    5  -0.069577  -0.274959  -0.326180
-    1SOL     H6    6  -0.115351  -0.181595  -0.216149
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038517   0.361645  -0.135228
-    0SOL     H2    2   0.034539   0.323568  -0.086492
-    0SOL     H3    3  -0.116606   0.331934  -0.088518
-    1SOL     O4    4   0.038967  -0.363966   0.127006
-    1SOL     H5    5  -0.036665  -0.311992   0.154225
-    1SOL     H6    6   0.114563  -0.309079   0.147862
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012153  -0.361418   0.153651
-    0SOL     H2    2   0.080034  -0.373220   0.087204
-    0SOL     H3    3   0.056797  -0.377748   0.236732
-    1SOL     O4    4  -0.021697   0.365852  -0.160230
-    1SOL     H5    5  -0.009735   0.271972  -0.145888
-    1SOL     H6    6   0.019706   0.407171  -0.084462
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.008434   0.101071   0.393439
-    0SOL     H2    2   0.054734   0.036534   0.425176
-    0SOL     H3    3  -0.092846   0.070265   0.426424
-    1SOL     O4    4   0.006210  -0.095213  -0.402865
-    1SOL     H5    5   0.048547  -0.023052  -0.356360
-    1SOL     H6    6   0.023812  -0.172216  -0.348800
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.109125   0.438100  -0.066880
-    0SOL     H2    2  -0.071295   0.352522  -0.087070
-    0SOL     H3    3  -0.129073   0.476291  -0.152354
-    1SOL     O4    4   0.108625  -0.438556   0.066421
-    1SOL     H5    5   0.041477  -0.457657   0.131908
-    1SOL     H6    6   0.165408  -0.373943   0.108412
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076088   0.222943  -0.412199
-    0SOL     H2    2  -0.159966   0.228032  -0.366364
-    0SOL     H3    3  -0.023716   0.162374  -0.359750
-    1SOL     O4    4   0.075680  -0.226003   0.408940
-    1SOL     H5    5   0.029595  -0.142487   0.416908
-    1SOL     H6    6   0.156743  -0.204382   0.362858
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.331793  -0.109650   0.380361
-    0SOL     H2    2  -0.421570  -0.142516   0.375653
-    0SOL     H3    3  -0.277505  -0.184506   0.355628
-    1SOL     O4    4   0.337483   0.120336  -0.377954
-    1SOL     H5    5   0.242032   0.115096  -0.382832
-    1SOL     H6    6   0.367111   0.030098  -0.389851
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.373816   0.187950   0.351345
-    0SOL     H2    2   0.405319   0.244036   0.280463
-    0SOL     H3    3   0.299912   0.235867   0.388822
-    1SOL     O4    4  -0.371691  -0.192965  -0.356195
-    1SOL     H5    5  -0.368531  -0.271492  -0.301552
-    1SOL     H6    6  -0.371225  -0.120321  -0.293867
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.556032   0.621791   0.114314
-    0SOL     H2    2  -0.484373   0.650290   0.057612
-    0SOL     H3    3  -0.635051   0.636391   0.062303
-    1SOL     O4    4   0.559203  -0.629753  -0.105500
-    1SOL     H5    5   0.466674  -0.610694  -0.120909
-    1SOL     H6    6   0.605617  -0.554358  -0.141882
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -1.380146   0.030352  -0.149266
-    0SOL     H2    2  -1.325150   0.093644  -0.103095
-    0SOL     H3    3  -1.342757  -0.054843  -0.126768
-    1SOL     O4    4   1.370157  -0.026854   0.149349
-    1SOL     H5    5   1.449392  -0.075190   0.172751
-    1SOL     H6    6   1.374587  -0.018171   0.054126
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077376  -0.076356  -0.076935
-    0SOL     H2    2  -0.021820  -0.029545  -0.014609
-    0SOL     H3    3  -0.085884  -0.164313  -0.040146
-    1SOL     O4    4   0.072975   0.072711   0.067896
-    1SOL     H5    5   0.012522   0.144907   0.085089
-    1SOL     H6    6   0.156970   0.103015   0.102377
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003736   0.104016  -0.072127
-    0SOL     H2    2  -0.082868   0.128880  -0.104436
-    0SOL     H3    3   0.028165   0.174562  -0.012220
-    1SOL     O4    4   0.004930  -0.111646   0.073588
-    1SOL     H5    5   0.003991  -0.048689   0.001491
-    1SOL     H6    6  -0.087421  -0.130764   0.089958
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102261   0.087400  -0.007204
-    0SOL     H2    2  -0.154457   0.064683  -0.084157
-    0SOL     H3    3  -0.013550   0.058887  -0.029106
-    1SOL     O4    4   0.094900  -0.087043   0.011533
-    1SOL     H5    5   0.160354  -0.042538  -0.042294
-    1SOL     H6    6   0.125401  -0.074788   0.101432
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058569  -0.093362  -0.062548
-    0SOL     H2    2  -0.079203  -0.183807  -0.038964
-    0SOL     H3    3  -0.042724  -0.096183  -0.156905
-    1SOL     O4    4   0.058854   0.101353   0.073742
-    1SOL     H5    5   0.012416   0.027431   0.034481
-    1SOL     H6    6   0.106852   0.140917   0.000987
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007880   0.063086  -0.115117
-    0SOL     H2    2   0.090968   0.099406  -0.084467
-    0SOL     H3    3   0.028217   0.025647  -0.200832
-    1SOL     O4    4  -0.018555  -0.060740   0.123745
-    1SOL     H5    5   0.056589  -0.119740   0.129639
-    1SOL     H6    6  -0.024871  -0.039145   0.030707
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000324  -0.081175   0.100821
-    0SOL     H2    2   0.055174  -0.158948   0.095008
-    0SOL     H3    3  -0.020811  -0.073221   0.193984
-    1SOL     O4    4  -0.000459   0.082578  -0.111813
-    1SOL     H5    5   0.025644   0.043465  -0.028439
-    1SOL     H6    6  -0.045748   0.163274  -0.087330
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094097   0.031482  -0.087172
-    0SOL     H2    2  -0.160783   0.085082  -0.044250
-    0SOL     H3    3  -0.058526   0.087877  -0.155850
-    1SOL     O4    4   0.097364  -0.044472   0.091178
-    1SOL     H5    5   0.130689   0.039220   0.123540
-    1SOL     H6    6   0.045754  -0.021492   0.013909
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078169   0.018793  -0.103659
-    0SOL     H2    2   0.041580   0.001979  -0.190497
-    0SOL     H3    3   0.127715   0.100060  -0.113816
-    1SOL     O4    4  -0.078151  -0.026475   0.115577
-    1SOL     H5    5  -0.153473   0.027990   0.092719
-    1SOL     H6    6  -0.018574  -0.017473   0.041201
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113917   0.074126  -0.039899
-    0SOL     H2    2  -0.168427   0.014305   0.011213
-    0SOL     H3    3  -0.024881   0.058131  -0.008608
-    1SOL     O4    4   0.110541  -0.070615   0.029010
-    1SOL     H5    5   0.067785  -0.110656   0.104713
-    1SOL     H6    6   0.179304  -0.015638   0.066581
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122851  -0.053884   0.014995
-    0SOL     H2    2   0.189883   0.004627   0.050286
-    0SOL     H3    3   0.089037  -0.100516   0.091443
-    1SOL     O4    4  -0.128069   0.056186  -0.017028
-    1SOL     H5    5  -0.165485   0.020186  -0.097442
-    1SOL     H6    6  -0.034465   0.037259  -0.023541
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045692   0.093588   0.083361
-    0SOL     H2    2   0.115034   0.159573   0.083416
-    0SOL     H3    3  -0.034863   0.143439   0.069647
-    1SOL     O4    4  -0.043170  -0.106359  -0.083369
-    1SOL     H5    5  -0.018699  -0.045108  -0.014002
-    1SOL     H6    6  -0.104090  -0.057170  -0.138428
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022858   0.140347   0.000628
-    0SOL     H2    2  -0.020506   0.046446  -0.017797
-    0SOL     H3    3  -0.062395   0.146762   0.087564
-    1SOL     O4    4   0.025747  -0.130327  -0.009144
-    1SOL     H5    5  -0.053790  -0.174405   0.020743
-    1SOL     H6    6   0.096057  -0.170452   0.041931
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064722  -0.119739   0.041986
-    0SOL     H2    2  -0.084519  -0.160155  -0.042494
-    0SOL     H3    3  -0.031660  -0.032696   0.019789
-    1SOL     O4    4   0.062609   0.111255  -0.038995
-    1SOL     H5    5   0.124952   0.125544   0.032219
-    1SOL     H6    6   0.022529   0.196983  -0.053367
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121459   0.034136  -0.036428
-    0SOL     H2    2   0.208416  -0.003192  -0.022028
-    0SOL     H3    3   0.135987   0.105602  -0.098427
-    1SOL     O4    4  -0.128720  -0.039167   0.045691
-    1SOL     H5    5  -0.192150  -0.012142  -0.020707
-    1SOL     H6    6  -0.043500  -0.018697   0.007208
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028351  -0.105453  -0.077092
-    0SOL     H2    2   0.031086  -0.177494  -0.098055
-    0SOL     H3    3  -0.050407  -0.067068  -0.161960
-    1SOL     O4    4   0.023590   0.111323   0.087533
-    1SOL     H5    5  -0.018586   0.045863   0.031869
-    1SOL     H6    6   0.116363   0.106207   0.064524
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024571   0.083687  -0.114227
-    0SOL     H2    2  -0.014542   0.046374  -0.026652
-    0SOL     H3    3   0.064986   0.093264  -0.146633
-    1SOL     O4    4   0.019209  -0.075258   0.108636
-    1SOL     H5    5  -0.040937  -0.109704   0.174654
-    1SOL     H6    6   0.070417  -0.151211   0.080864
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.090137  -0.022418   0.107399
-    0SOL     H2    2  -0.055174   0.005414   0.022751
-    0SOL     H3    3  -0.183897  -0.034007   0.092001
-    1SOL     O4    4   0.087285   0.024595  -0.101325
-    1SOL     H5    5   0.105631  -0.053944  -0.152874
-    1SOL     H6    6   0.171427   0.047651  -0.061944
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100636  -0.087439   0.027334
-    0SOL     H2    2  -0.111185  -0.175568   0.063170
-    0SOL     H3    3  -0.123524  -0.096257  -0.065190
-    1SOL     O4    4   0.107204   0.096010  -0.021066
-    1SOL     H5    5   0.076359   0.008992   0.004206
-    1SOL     H6    6   0.054388   0.118920  -0.097538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058585   0.070052  -0.102630
-    0SOL     H2    2   0.024119   0.061419  -0.150041
-    0SOL     H3    3  -0.075545   0.164242  -0.100913
-    1SOL     O4    4   0.059873  -0.073062   0.109259
-    1SOL     H5    5   0.015429  -0.157578   0.102623
-    1SOL     H6    6   0.013204  -0.016509   0.047727
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063348   0.058129  -0.116795
-    0SOL     H2    2  -0.047886   0.032702  -0.025819
-    0SOL     H3    3  -0.007641   0.134827  -0.130077
-    1SOL     O4    4   0.055097  -0.055952   0.109481
-    1SOL     H5    5   0.121197  -0.108194   0.064051
-    1SOL     H6    6   0.047613  -0.096549   0.195841
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074544   0.086521   0.090565
-    0SOL     H2    2   0.019503   0.042578   0.025744
-    0SOL     H3    3   0.122550   0.015599   0.133319
-    1SOL     O4    4  -0.076084  -0.073439  -0.087167
-    1SOL     H5    5   0.002533  -0.095351  -0.137182
-    1SOL     H6    6  -0.121502  -0.156959  -0.076036
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024098  -0.046180  -0.137283
-    0SOL     H2    2  -0.112277  -0.008953  -0.136272
-    0SOL     H3    3   0.020139  -0.005119  -0.062990
-    1SOL     O4    4   0.022023   0.038820   0.128672
-    1SOL     H5    5   0.015184   0.124663   0.170464
-    1SOL     H6    6   0.105978   0.004084   0.158795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007051   0.015148  -0.142631
-    0SOL     H2    2  -0.052683   0.085328  -0.189052
-    0SOL     H3    3  -0.039388   0.020860  -0.052720
-    1SOL     O4    4   0.016969  -0.022463   0.137884
-    1SOL     H5    5  -0.000948   0.071340   0.144382
-    1SOL     H6    6  -0.062091  -0.064405   0.171839
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053392  -0.122687   0.057002
-    0SOL     H2    2   0.147845  -0.132643   0.045092
-    0SOL     H3    3   0.036424  -0.030387   0.038157
-    1SOL     O4    4  -0.058245   0.114448  -0.049417
-    1SOL     H5    5  -0.078687   0.082643  -0.137353
-    1SOL     H6    6  -0.035440   0.206568  -0.061913
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013614   0.051493   0.126342
-    0SOL     H2    2   0.040528   0.014193   0.210288
-    0SOL     H3    3   0.064091   0.132469   0.118775
-    1SOL     O4    4  -0.013318  -0.055518  -0.135585
-    1SOL     H5    5  -0.105309  -0.032216  -0.148113
-    1SOL     H6    6  -0.000614  -0.052960  -0.040746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043660   0.074119  -0.109914
-    0SOL     H2    2  -0.007978   0.015654  -0.176779
-    0SOL     H3    3  -0.000606   0.158083  -0.126000
-    1SOL     O4    4   0.034058  -0.078750   0.118369
-    1SOL     H5    5   0.128407  -0.081936   0.134195
-    1SOL     H6    6   0.024957  -0.028055   0.037687
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001906   0.139798  -0.044260
-    0SOL     H2    2  -0.051250   0.158201  -0.121707
-    0SOL     H3    3  -0.000001   0.044459  -0.035945
-    1SOL     O4    4   0.003159  -0.132547   0.055016
-    1SOL     H5    5   0.062572  -0.169658  -0.010216
-    1SOL     H6    6  -0.083861  -0.141785   0.016230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126878  -0.077545  -0.005430
-    0SOL     H2    2   0.055545  -0.016647   0.013681
-    0SOL     H3    3   0.091080  -0.163795   0.015590
-    1SOL     O4    4  -0.114707   0.081406   0.002375
-    1SOL     H5    5  -0.175634   0.056439  -0.067101
-    1SOL     H6    6  -0.162253   0.063620   0.083525
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.141418  -0.017965  -0.044901
-    0SOL     H2    2  -0.046819  -0.007988  -0.034227
-    0SOL     H3    3  -0.164050  -0.092763   0.010375
-    1SOL     O4    4   0.138323   0.027496   0.036738
-    1SOL     H5    5   0.095014   0.026578   0.122095
-    1SOL     H6    6   0.164309  -0.063448   0.022032
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101897   0.084779  -0.056773
-    0SOL     H2    2  -0.051056   0.113479  -0.132627
-    0SOL     H3    3  -0.092865   0.156019   0.006518
-    1SOL     O4    4   0.098147  -0.095649   0.061236
-    1SOL     H5    5   0.175230  -0.054990   0.021644
-    1SOL     H6    6   0.025391  -0.038807   0.035980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019880   0.095429   0.116582
-    0SOL     H2    2   0.109950   0.070012   0.096494
-    0SOL     H3    3  -0.032637   0.053652   0.048326
-    1SOL     O4    4  -0.021919  -0.088300  -0.105710
-    1SOL     H5    5   0.049304  -0.134665  -0.149754
-    1SOL     H6    6  -0.097115  -0.098913  -0.163980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046314   0.103027  -0.082654
-    0SOL     H2    2  -0.049497   0.101574  -0.178310
-    0SOL     H3    3  -0.038217   0.195751  -0.060316
-    1SOL     O4    4   0.046548  -0.108558   0.093624
-    1SOL     H5    5   0.079355  -0.168646   0.026724
-    1SOL     H6    6   0.002457  -0.039422   0.044243
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055959   0.106403   0.073030
-    0SOL     H2    2   0.075075   0.192520   0.035873
-    0SOL     H3    3   0.119330   0.096306   0.144055
-    1SOL     O4    4  -0.064383  -0.113566  -0.070280
-    1SOL     H5    5  -0.062500  -0.127946  -0.164894
-    1SOL     H6    6   0.001195  -0.045525  -0.055037
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010182  -0.027662  -0.140812
-    0SOL     H2    2   0.067364  -0.074605  -0.110067
-    0SOL     H3    3  -0.043120  -0.080672  -0.213388
-    1SOL     O4    4   0.014077   0.035655   0.142360
-    1SOL     H5    5  -0.038657   0.036338   0.222241
-    1SOL     H6    6  -0.043773  -0.001441   0.075730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108173  -0.016036  -0.105842
-    0SOL     H2    2  -0.054385  -0.008759  -0.184685
-    0SOL     H3    3  -0.045010  -0.022989  -0.034257
-    1SOL     O4    4   0.097223   0.020069   0.102652
-    1SOL     H5    5   0.069660  -0.028184   0.180589
-    1SOL     H6    6   0.188807  -0.004808   0.090165
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122049   0.003673   0.073482
-    0SOL     H2    2   0.078698   0.002433   0.158813
-    0SOL     H3    3   0.213639   0.023112   0.093374
-    1SOL     O4    4  -0.126079   0.001274  -0.081153
-    1SOL     H5    5  -0.056713  -0.030424  -0.023309
-    1SOL     H6    6  -0.170607  -0.078051  -0.110937
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.005811  -0.055292   0.131399
-    0SOL     H2    2  -0.072826  -0.092909   0.170939
-    0SOL     H3    3   0.078154  -0.092208   0.182054
-    1SOL     O4    4  -0.002012   0.063099  -0.141226
-    1SOL     H5    5   0.035031   0.007918  -0.072342
-    1SOL     H6    6  -0.096704   0.056682  -0.128793
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037262  -0.089805  -0.119788
-    0SOL     H2    2  -0.089742  -0.018376  -0.155928
-    0SOL     H3    3   0.017509  -0.048080  -0.053293
-    1SOL     O4    4   0.041150   0.083730   0.113299
-    1SOL     H5    5   0.047371   0.040580   0.198515
-    1SOL     H6    6  -0.041043   0.132640   0.117108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038903   0.109209   0.085291
-    0SOL     H2    2   0.055609   0.191004   0.038465
-    0SOL     H3    3   0.080376   0.121535   0.170675
-    1SOL     O4    4  -0.039554  -0.120602  -0.089881
-    1SOL     H5    5  -0.126365  -0.084554  -0.107957
-    1SOL     H6    6   0.000233  -0.058115  -0.029263
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093279  -0.065831  -0.104923
-    0SOL     H2    2  -0.154850   0.004514  -0.125490
-    0SOL     H3    3  -0.016176  -0.020884  -0.070321
-    1SOL     O4    4   0.092903   0.053072   0.101123
-    1SOL     H5    5   0.013560   0.089362   0.140494
-    1SOL     H6    6   0.159469   0.120486   0.114785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108828  -0.102585   0.002495
-    0SOL     H2    2   0.114140  -0.114631  -0.092315
-    0SOL     H3    3   0.072702  -0.184985   0.035169
-    1SOL     O4    4  -0.110749   0.109592  -0.004828
-    1SOL     H5    5  -0.130735   0.137581   0.084501
-    1SOL     H6    6  -0.033748   0.053464   0.004271
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028158  -0.031705  -0.142287
-    0SOL     H2    2   0.108732   0.010549  -0.172031
-    0SOL     H3    3   0.028491  -0.117119  -0.185493
-    1SOL     O4    4  -0.028968   0.037547   0.150837
-    1SOL     H5    5  -0.108486  -0.013889   0.164746
-    1SOL     H6    6  -0.009170   0.026455   0.057846
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140749  -0.058876  -0.015102
-    0SOL     H2    2  -0.117295  -0.039893  -0.105942
-    0SOL     H3    3  -0.198101   0.013366   0.010475
-    1SOL     O4    4   0.148111   0.056583   0.020627
-    1SOL     H5    5   0.070994   0.089748  -0.025366
-    1SOL     H6    6   0.130005  -0.036477   0.033828
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012775  -0.048198  -0.151084
-    0SOL     H2    2  -0.036054   0.042671  -0.132024
-    0SOL     H3    3   0.067519  -0.063365  -0.101233
-    1SOL     O4    4   0.007539   0.048426   0.151659
-    1SOL     H5    5   0.096269   0.020712   0.128829
-    1SOL     H6    6  -0.049400  -0.007128   0.098423
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110442   0.063151  -0.094340
-    0SOL     H2    2  -0.192486   0.014364  -0.087208
-    0SOL     H3    3  -0.066305   0.048237  -0.010723
-    1SOL     O4    4   0.108162  -0.062782   0.085281
-    1SOL     H5    5   0.095769  -0.035832   0.176289
-    1SOL     H6    6   0.196775  -0.033847   0.063538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016498  -0.125952  -0.097774
-    0SOL     H2    2  -0.027047  -0.031669  -0.085055
-    0SOL     H3    3  -0.104751  -0.157585  -0.117087
-    1SOL     O4    4   0.017400   0.123588   0.094783
-    1SOL     H5    5   0.023041   0.090670   0.184488
-    1SOL     H6    6   0.108408   0.130133   0.065854
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044035   0.137880   0.051678
-    0SOL     H2    2  -0.039297   0.184751   0.056284
-    0SOL     H3    3   0.108461   0.200090   0.085463
-    1SOL     O4    4  -0.043801  -0.147606  -0.058873
-    1SOL     H5    5   0.022923  -0.081118  -0.041856
-    1SOL     H6    6  -0.099764  -0.145864   0.018764
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028838   0.085509  -0.131250
-    0SOL     H2    2  -0.024629   0.009158  -0.109478
-    0SOL     H3    3   0.053221   0.072392  -0.222878
-    1SOL     O4    4  -0.032611  -0.077051   0.137713
-    1SOL     H5    5  -0.018331  -0.170603   0.123344
-    1SOL     H6    6   0.051015  -0.036275   0.115213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.049897   0.150334   0.015744
-    0SOL     H2    2   0.126665   0.193237   0.053538
-    0SOL     H3    3   0.078229   0.122934  -0.071485
-    1SOL     O4    4  -0.057930  -0.157743  -0.012419
-    1SOL     H5    5   0.016961  -0.120884   0.034432
-    1SOL     H6    6  -0.084069  -0.089035  -0.073723
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003293  -0.146682   0.073352
-    0SOL     H2    2   0.063798  -0.076091   0.096119
-    0SOL     H3    3   0.046522  -0.193170   0.001711
-    1SOL     O4    4  -0.004076   0.147297  -0.069309
-    1SOL     H5    5  -0.032956   0.066361  -0.111470
-    1SOL     H6    6  -0.085179   0.192183  -0.045436
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041352   0.088195   0.129647
-    0SOL     H2    2   0.033455   0.120835   0.040011
-    0SOL     H3    3   0.105582   0.146090   0.170698
-    1SOL     O4    4  -0.042309  -0.099275  -0.124736
-    1SOL     H5    5  -0.133796  -0.071157  -0.123429
-    1SOL     H6    6   0.005062  -0.025094  -0.162360
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139555   0.072979  -0.034143
-    0SOL     H2    2  -0.225088   0.030801  -0.042362
-    0SOL     H3    3  -0.133602   0.130268  -0.110595
-    1SOL     O4    4   0.147150  -0.078901   0.043126
-    1SOL     H5    5   0.190681  -0.023082  -0.021307
-    1SOL     H6    6   0.055296  -0.052168   0.039879
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106311  -0.034361  -0.124103
-    0SOL     H2    2  -0.154082   0.025975  -0.181023
-    0SOL     H3    3  -0.016384  -0.001570  -0.124459
-    1SOL     O4    4   0.100082   0.024533   0.123170
-    1SOL     H5    5   0.069434   0.072633   0.200043
-    1SOL     H6    6   0.191978   0.049752   0.114146
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109561   0.009310  -0.120128
-    0SOL     H2    2   0.045278  -0.025532  -0.181902
-    0SOL     H3    3   0.163485   0.068583  -0.172485
-    1SOL     O4    4  -0.114251  -0.010726   0.124088
-    1SOL     H5    5  -0.094173  -0.027320   0.216196
-    1SOL     H6    6  -0.029116   0.005767   0.083562
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.115739   0.007098  -0.122694
-    0SOL     H2    2   0.061977  -0.066407  -0.093215
-    0SOL     H3    3   0.156651  -0.023965  -0.203463
-    1SOL     O4    4  -0.110542  -0.005408   0.123010
-    1SOL     H5    5  -0.195240   0.011398   0.081703
-    1SOL     H6    6  -0.113596   0.043950   0.204966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.125489  -0.092790   0.082471
-    0SOL     H2    2  -0.101809  -0.055010   0.167173
-    0SOL     H3    3  -0.062911  -0.054697   0.020866
-    1SOL     O4    4   0.115684   0.084830  -0.083425
-    1SOL     H5    5   0.144602   0.139976  -0.156123
-    1SOL     H6    6   0.179870   0.100744  -0.014222
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109071   0.005292  -0.137262
-    0SOL     H2    2   0.055694   0.076392  -0.101794
-    0SOL     H3    3   0.055846  -0.031889  -0.207596
-    1SOL     O4    4  -0.101102  -0.010076   0.145271
-    1SOL     H5    5  -0.180632  -0.024868   0.094099
-    1SOL     H6    6  -0.049743   0.051190   0.092630
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.129611  -0.118472   0.012247
-    0SOL     H2    2  -0.104914  -0.131302  -0.079338
-    0SOL     H3    3  -0.086407  -0.189960   0.058994
-    1SOL     O4    4   0.123580   0.121436  -0.004506
-    1SOL     H5    5   0.103785   0.086253  -0.091297
-    1SOL     H6    6   0.185831   0.192265  -0.020950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074603  -0.152994   0.034752
-    0SOL     H2    2  -0.086999  -0.204980   0.114164
-    0SOL     H3    3  -0.151139  -0.095604   0.031448
-    1SOL     O4    4   0.081331   0.156033  -0.033290
-    1SOL     H5    5   0.139373   0.127664  -0.103920
-    1SOL     H6    6  -0.006019   0.129160  -0.061754
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032895   0.171094   0.042720
-    0SOL     H2    2  -0.006681   0.208779   0.126713
-    0SOL     H3    3   0.049646   0.152268  -0.001944
-    1SOL     O4    4   0.021205  -0.175445  -0.047018
-    1SOL     H5    5   0.063085  -0.174779   0.039051
-    1SOL     H6    6   0.073899  -0.115459  -0.099813
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127266  -0.086621  -0.104902
-    0SOL     H2    2  -0.126539  -0.013298  -0.043376
-    0SOL     H3    3  -0.038340  -0.121855  -0.101300
-    1SOL     O4    4   0.120008   0.088089   0.096542
-    1SOL     H5    5   0.119677   0.115739   0.188181
-    1SOL     H6    6   0.163524   0.002837   0.097354
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.174747  -0.042926  -0.010840
-    0SOL     H2    2  -0.100950  -0.090880  -0.048479
-    0SOL     H3    3  -0.252235  -0.088869  -0.043202
-    1SOL     O4    4   0.179563   0.043898   0.016172
-    1SOL     H5    5   0.103567   0.066735   0.069701
-    1SOL     H6    6   0.169204   0.095793  -0.063589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026615   0.172152   0.056718
-    0SOL     H2    2  -0.026418   0.175899   0.152364
-    0SOL     H3    3  -0.118085   0.186323   0.032333
-    1SOL     O4    4   0.032712  -0.166578  -0.061021
-    1SOL     H5    5   0.008898  -0.210977   0.020366
-    1SOL     H6    6   0.027501  -0.234783  -0.127978
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.069156   0.142226  -0.103550
-    0SOL     H2    2  -0.156116   0.173702  -0.128238
-    0SOL     H3    3  -0.082312   0.099148  -0.019089
-    1SOL     O4    4   0.072073  -0.143742   0.106686
-    1SOL     H5    5   0.128002  -0.070220   0.081613
-    1SOL     H6    6   0.051164  -0.187267   0.024037
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.182224  -0.008227   0.035428
-    0SOL     H2    2   0.168477   0.082409   0.007888
-    0SOL     H3    3   0.254964  -0.003684   0.097481
-    1SOL     O4    4  -0.180303  -0.000512  -0.036681
-    1SOL     H5    5  -0.268699  -0.030673  -0.015732
-    1SOL     H6    6  -0.192798   0.087340  -0.072572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.182863  -0.019613  -0.077908
-    0SOL     H2    2   0.147683   0.068760  -0.067192
-    0SOL     H3    3   0.106963  -0.072965  -0.101469
-    1SOL     O4    4  -0.171744   0.021325   0.075198
-    1SOL     H5    5  -0.168746  -0.062242   0.121780
-    1SOL     H6    6  -0.261959   0.051502   0.085826
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039622   0.034285   0.190908
-    0SOL     H2    2  -0.051636  -0.046817   0.141507
-    0SOL     H3    3   0.013553   0.008804   0.266309
-    1SOL     O4    4   0.037676  -0.029817  -0.185785
-    1SOL     H5    5  -0.035758   0.009697  -0.232780
-    1SOL     H6    6   0.105391  -0.041385  -0.252442
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.138994  -0.038250   0.135591
-    0SOL     H2    2   0.139152  -0.048801   0.040454
-    0SOL     H3    3   0.177171  -0.119499   0.168811
-    1SOL     O4    4  -0.140296   0.048728  -0.127912
-    1SOL     H5    5  -0.132820  -0.044844  -0.109182
-    1SOL     H6    6  -0.164787   0.052817  -0.220356
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061893   0.071773   0.176377
-    0SOL     H2    2   0.121914   0.121924   0.121199
-    0SOL     H3    3   0.107516  -0.010799   0.192586
-    1SOL     O4    4  -0.069530  -0.076480  -0.174148
-    1SOL     H5    5  -0.102226  -0.010823  -0.112646
-    1SOL     H6    6  -0.013634  -0.027289  -0.234299
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.098485  -0.021369   0.176272
-    0SOL     H2    2   0.061029  -0.102652   0.210220
-    0SOL     H3    3   0.173414  -0.049552   0.123797
-    1SOL     O4    4  -0.098991   0.021592  -0.175953
-    1SOL     H5    5  -0.122575   0.086942  -0.241797
-    1SOL     H6    6  -0.106375   0.067870  -0.092489
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075220  -0.111433   0.163073
-    0SOL     H2    2   0.126506  -0.134946   0.085747
-    0SOL     H3    3   0.077659  -0.015771   0.165310
-    1SOL     O4    4  -0.079846   0.102896  -0.154166
-    1SOL     H5    5  -0.005376   0.162922  -0.150503
-    1SOL     H6    6  -0.122581   0.122730  -0.237488
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028813   0.190358   0.126879
-    0SOL     H2    2   0.003801   0.098889   0.139923
-    0SOL     H3    3   0.008529   0.207916   0.034995
-    1SOL     O4    4  -0.024027  -0.191359  -0.117968
-    1SOL     H5    5   0.030127  -0.129670  -0.167203
-    1SOL     H6    6  -0.113896  -0.169091  -0.142260
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031984  -0.217671   0.054636
-    0SOL     H2    2  -0.123077  -0.204865   0.081104
-    0SOL     H3    3  -0.034233  -0.294137  -0.002897
-    1SOL     O4    4   0.034681   0.218529  -0.058989
-    1SOL     H5    5   0.122974   0.202100  -0.025871
-    1SOL     H6    6  -0.003401   0.280040   0.003689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.093037  -0.186767   0.101109
-    0SOL     H2    2   0.174333  -0.166525   0.147408
-    0SOL     H3    3   0.040688  -0.235504   0.164722
-    1SOL     O4    4  -0.090577   0.182855  -0.107520
-    1SOL     H5    5  -0.121836   0.234720  -0.033390
-    1SOL     H6    6  -0.128710   0.225372  -0.184335
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072867   0.187819  -0.119219
-    0SOL     H2    2  -0.001322   0.245038  -0.099614
-    0SOL     H3    3   0.148754   0.233735  -0.083231
-    1SOL     O4    4  -0.070176  -0.192776   0.122327
-    1SOL     H5    5  -0.069036  -0.276285   0.075558
-    1SOL     H6    6  -0.117676  -0.133371   0.064213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050413  -0.201951   0.127625
-    0SOL     H2    2  -0.055367  -0.111659   0.096238
-    0SOL     H3    3   0.039640  -0.211694   0.158574
-    1SOL     O4    4   0.043489   0.200670  -0.121849
-    1SOL     H5    5   0.006280   0.124728  -0.166690
-    1SOL     H6    6   0.115200   0.229211  -0.178462
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051205  -0.195956   0.149067
-    0SOL     H2    2  -0.015517  -0.124299   0.096589
-    0SOL     H3    3  -0.066233  -0.266563   0.086209
-    1SOL     O4    4   0.049739   0.199773  -0.137291
-    1SOL     H5    5  -0.023043   0.151790  -0.176822
-    1SOL     H6    6   0.125554   0.176975  -0.191093
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.107207  -0.141893  -0.182904
-    0SOL     H2    2   0.090611  -0.190227  -0.263840
-    0SOL     H3    3   0.151193  -0.204950  -0.125883
-    1SOL     O4    4  -0.103732   0.148535   0.179529
-    1SOL     H5    5  -0.189679   0.190558   0.182609
-    1SOL     H6    6  -0.100958   0.093792   0.258001
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097916   0.017960  -0.237654
-    0SOL     H2    2  -0.145722   0.090924  -0.198245
-    0SOL     H3    3  -0.050185   0.057227  -0.310744
-    1SOL     O4    4   0.094873  -0.026656   0.234587
-    1SOL     H5    5   0.089669   0.061008   0.272669
-    1SOL     H6    6   0.153982  -0.074577   0.292656
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076796  -0.107825  -0.301903
-    0SOL     H2    2  -0.003474  -0.132040  -0.245336
-    0SOL     H3    3  -0.148112  -0.087510  -0.241375
-    1SOL     O4    4   0.076875   0.115350   0.296557
-    1SOL     H5    5   0.126774   0.048661   0.343727
-    1SOL     H6    6   0.022561   0.065801   0.235261
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097655   0.117831  -0.293965
-    0SOL     H2    2   0.083545   0.190186  -0.232907
-    0SOL     H3    3   0.077040   0.154588  -0.379909
-    1SOL     O4    4  -0.093288  -0.121088   0.290417
-    1SOL     H5    5  -0.168342  -0.180481   0.291730
-    1SOL     H6    6  -0.062771  -0.118969   0.381117
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046632   0.318534   0.087434
-    0SOL     H2    2  -0.108745   0.370596   0.138363
-    0SOL     H3    3  -0.074680   0.329794  -0.003389
-    1SOL     O4    4   0.046452  -0.324273  -0.088999
-    1SOL     H5    5   0.134397  -0.362062  -0.089216
-    1SOL     H6    6   0.051260  -0.252659  -0.025669
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095928  -0.367343  -0.137999
-    0SOL     H2    2  -0.044325  -0.438810  -0.175309
-    0SOL     H3    3  -0.055423  -0.350353  -0.052952
-    1SOL     O4    4   0.090949   0.363957   0.136548
-    1SOL     H5    5   0.098749   0.433342   0.202025
-    1SOL     H6    6   0.084379   0.410354   0.053082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.103301   0.437925   0.030271
-    0SOL     H2    2   0.089277   0.508683   0.093191
-    0SOL     H3    3   0.192300   0.407419   0.047904
-    1SOL     O4    4  -0.105317  -0.435684  -0.031326
-    1SOL     H5    5  -0.059993  -0.515468  -0.058577
-    1SOL     H6    6  -0.191971  -0.442421  -0.071427
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055600   0.181057   0.438858
-    0SOL     H2    2  -0.010169   0.151726   0.501916
-    0SOL     H3    3   0.028859   0.141244   0.356020
-    1SOL     O4    4  -0.051812  -0.179327  -0.432901
-    1SOL     H5    5  -0.030329  -0.218632  -0.517493
-    1SOL     H6    6  -0.030301  -0.086642  -0.443346
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028740   0.482991  -0.069168
-    0SOL     H2    2   0.097877   0.418019  -0.056480
-    0SOL     H3    3  -0.045919   0.432583  -0.101531
-    1SOL     O4    4  -0.031382  -0.472300   0.066504
-    1SOL     H5    5   0.004861  -0.466129   0.154882
-    1SOL     H6    6  -0.017263  -0.563499   0.041089
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000813  -0.418573   0.326946
-    0SOL     H2    2   0.030455  -0.447024   0.241067
-    0SOL     H3    3   0.065367  -0.450409   0.388338
-    1SOL     O4    4   0.003376   0.420861  -0.324706
-    1SOL     H5    5  -0.063415   0.354480  -0.307532
-    1SOL     H6    6  -0.045557   0.496083  -0.358015
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.395563  -0.242313  -0.307588
-    0SOL     H2    2  -0.331246  -0.228910  -0.377200
-    0SOL     H3    3  -0.403648  -0.337417  -0.300370
-    1SOL     O4    4   0.394392   0.243421   0.316389
-    1SOL     H5    5   0.411150   0.334591   0.292524
-    1SOL     H6    6   0.344100   0.208242   0.242935
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013608   0.452819   0.324154
-    0SOL     H2    2  -0.074538   0.483620   0.303083
-    0SOL     H3    3   0.050642   0.521850   0.379160
-    1SOL     O4    4  -0.006482  -0.460486  -0.322034
-    1SOL     H5    5  -0.085268  -0.410962  -0.299619
-    1SOL     H6    6  -0.012377  -0.473403  -0.416695
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088752   0.198654   0.534040
-    0SOL     H2    2  -0.174360   0.172846   0.499870
-    0SOL     H3    3  -0.105506   0.279809   0.581950
-    1SOL     O4    4   0.090861  -0.205900  -0.539002
-    1SOL     H5    5   0.165220  -0.220328  -0.480480
-    1SOL     H6    6   0.065234  -0.115023  -0.523290
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039238  -0.055278  -0.107131
-    0SOL     H2    2  -0.119237  -0.002950  -0.102201
-    0SOL     H3    3   0.013067  -0.012807  -0.175123
-    1SOL     O4    4   0.037921   0.047055   0.115609
-    1SOL     H5    5   0.028742   0.029035   0.022050
-    1SOL     H6    6   0.107107   0.113010   0.120670
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062960  -0.007057   0.109614
-    0SOL     H2    2   0.087956  -0.098738   0.098125
-    0SOL     H3    3   0.022675  -0.003858   0.196386
-    1SOL     O4    4  -0.059925   0.008546  -0.119284
-    1SOL     H5    5  -0.013126   0.016905  -0.036204
-    1SOL     H6    6  -0.143517   0.052703  -0.104290
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054912  -0.120565   0.013146
-    0SOL     H2    2  -0.011127  -0.188859   0.001434
-    0SOL     H3    3   0.006694  -0.038528   0.002790
-    1SOL     O4    4  -0.047778   0.112802  -0.012894
-    1SOL     H5    5   0.008213   0.180861  -0.050248
-    1SOL     H6    6  -0.111414   0.160592   0.040294
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060677   0.023753  -0.121649
-    0SOL     H2    2   0.093763  -0.063547  -0.100522
-    0SOL     H3    3   0.003353   0.046088  -0.048317
-    1SOL     O4    4  -0.055641  -0.015419   0.112972
-    1SOL     H5    5  -0.149499  -0.031599   0.103426
-    1SOL     H6    6  -0.027518  -0.076675   0.180936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062393  -0.119530   0.016271
-    0SOL     H2    2  -0.037377  -0.031279  -0.011084
-    0SOL     H3    3  -0.154711  -0.126892  -0.007930
-    1SOL     O4    4   0.067762   0.108313  -0.016005
-    1SOL     H5    5   0.133047   0.166288   0.023227
-    1SOL     H6    6  -0.014684   0.156333  -0.008323
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008662  -0.075207   0.105414
-    0SOL     H2    2  -0.029186  -0.014482   0.168994
-    0SOL     H3    3  -0.037912  -0.157519   0.120175
-    1SOL     O4    4  -0.002804   0.077124  -0.116933
-    1SOL     H5    5   0.005413  -0.002433  -0.064345
-    1SOL     H6    6  -0.026388   0.145212  -0.053925
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007252   0.129155  -0.002002
-    0SOL     H2    2   0.062131   0.184723  -0.057344
-    0SOL     H3    3  -0.073900   0.178747   0.008828
-    1SOL     O4    4  -0.001805  -0.139430   0.002540
-    1SOL     H5    5  -0.088599  -0.155078   0.039746
-    1SOL     H6    6   0.008527  -0.044299   0.004909
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076805   0.089230  -0.075719
-    0SOL     H2    2   0.035819   0.025283  -0.017468
-    0SOL     H3    3   0.015217   0.162466  -0.078092
-    1SOL     O4    4  -0.066080  -0.085681   0.074544
-    1SOL     H5    5  -0.159512  -0.065311   0.070302
-    1SOL     H6    6  -0.059618  -0.175546   0.042223
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072657   0.041191   0.114978
-    0SOL     H2    2  -0.082592  -0.052848   0.129814
-    0SOL     H3    3  -0.038540   0.047945   0.025800
-    1SOL     O4    4   0.070120  -0.032524  -0.105049
-    1SOL     H5    5   0.093168   0.003303  -0.190767
-    1SOL     H6    6   0.067048  -0.127222  -0.118656
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125398  -0.018509  -0.038953
-    0SOL     H2    2   0.163689  -0.091710   0.009397
-    0SOL     H3    3   0.173224   0.058383  -0.007927
-    1SOL     O4    4  -0.134333   0.021872   0.039460
-    1SOL     H5    5  -0.040015   0.010437   0.027817
-    1SOL     H6    6  -0.173378  -0.022794  -0.035657
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068950   0.084062  -0.074689
-    0SOL     H2    2  -0.050550   0.161961  -0.127182
-    0SOL     H3    3  -0.123285   0.029252  -0.131311
-    1SOL     O4    4   0.077187  -0.086419   0.079592
-    1SOL     H5    5   0.015678  -0.129607   0.138868
-    1SOL     H6    6   0.023442  -0.024523   0.030167
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092487  -0.105924   0.004667
-    0SOL     H2    2  -0.151720  -0.083145   0.076325
-    0SOL     H3    3  -0.020236  -0.043633   0.012532
-    1SOL     O4    4   0.088657   0.095099  -0.007939
-    1SOL     H5    5   0.097424   0.142771  -0.090480
-    1SOL     H6    6   0.130679   0.151539   0.056952
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062328   0.098440  -0.082222
-    0SOL     H2    2   0.142816   0.050362  -0.062921
-    0SOL     H3    3  -0.005762   0.051627  -0.033904
-    1SOL     O4    4  -0.065553  -0.088991   0.073108
-    1SOL     H5    5  -0.033305  -0.058948   0.158077
-    1SOL     H6    6  -0.058381  -0.184359   0.077070
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016328  -0.026205  -0.139390
-    0SOL     H2    2  -0.013817   0.011433  -0.051416
-    0SOL     H3    3  -0.077277  -0.099674  -0.132330
-    1SOL     O4    4   0.020775   0.027185   0.126675
-    1SOL     H5    5   0.019054  -0.037965   0.196781
-    1SOL     H6    6   0.004978   0.110546   0.170987
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108865   0.000312   0.075211
-    0SOL     H2    2   0.202178   0.021397   0.071982
-    0SOL     H3    3   0.104426  -0.081379   0.124902
-    1SOL     O4    4  -0.118233   0.007767  -0.080960
-    1SOL     H5    5  -0.033035   0.025121  -0.040927
-    1SOL     H6    6  -0.131704  -0.086232  -0.068925
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090294   0.003254   0.099117
-    0SOL     H2    2   0.036010   0.046203   0.165230
-    0SOL     H3    3   0.170102   0.055989   0.095643
-    1SOL     O4    4  -0.091187  -0.012365  -0.108437
-    1SOL     H5    5  -0.039671  -0.016098  -0.027849
-    1SOL     H6    6  -0.156773   0.055360  -0.091879
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.005645   0.135459  -0.045360
-    0SOL     H2    2   0.014210   0.042798  -0.022937
-    0SOL     H3    3   0.092429   0.160630  -0.076940
-    1SOL     O4    4  -0.010316  -0.125686   0.047260
-    1SOL     H5    5  -0.090077  -0.172289   0.022184
-    1SOL     H6    6   0.058024  -0.192697   0.046032
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036622   0.123328  -0.064746
-    0SOL     H2    2  -0.018182   0.045280  -0.012489
-    0SOL     H3    3  -0.005694   0.101245  -0.152599
-    1SOL     O4    4   0.038876  -0.113668   0.062828
-    1SOL     H5    5   0.017085  -0.107779   0.155849
-    1SOL     H6    6  -0.017049  -0.183827   0.029474
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036231   0.073461   0.108903
-    0SOL     H2    2   0.026048   0.137094   0.144036
-    0SOL     H3    3  -0.032768   0.000087   0.170276
-    1SOL     O4    4   0.037789  -0.077496  -0.115255
-    1SOL     H5    5  -0.027772  -0.061452  -0.183127
-    1SOL     H6    6   0.012338  -0.019854  -0.043200
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.142905   0.015000   0.017751
-    0SOL     H2    2  -0.047443   0.007999   0.018385
-    0SOL     H3    3  -0.168228  -0.010202  -0.071051
-    1SOL     O4    4   0.134028  -0.008230  -0.013828
-    1SOL     H5    5   0.160358  -0.042868   0.071432
-    1SOL     H6    6   0.187709  -0.056266  -0.076863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050338   0.131634   0.029742
-    0SOL     H2    2  -0.079757   0.121218   0.120231
-    0SOL     H3    3  -0.018766   0.044831   0.004628
-    1SOL     O4    4   0.044780  -0.125188  -0.030174
-    1SOL     H5    5   0.132754  -0.139930   0.004546
-    1SOL     H6    6   0.055252  -0.130595  -0.125166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132704  -0.017292  -0.014198
-    0SOL     H2    2  -0.204534   0.025102   0.032765
-    0SOL     H3    3  -0.166370  -0.104155  -0.036191
-    1SOL     O4    4   0.142353   0.016110   0.016057
-    1SOL     H5    5   0.047582   0.016522   0.029499
-    1SOL     H6    6   0.157411   0.083014  -0.050722
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060720  -0.068928   0.102684
-    0SOL     H2    2   0.021340  -0.090703   0.146892
-    0SOL     H3    3  -0.102420  -0.004482   0.159869
-    1SOL     O4    4   0.062358   0.065068  -0.114226
-    1SOL     H5    5   0.045929   0.150126  -0.073513
-    1SOL     H6    6   0.006816   0.004087  -0.065659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124793   0.002526  -0.056398
-    0SOL     H2    2   0.217702   0.024539  -0.049650
-    0SOL     H3    3   0.092107   0.057868  -0.127328
-    1SOL     O4    4  -0.133112  -0.009540   0.061391
-    1SOL     H5    5  -0.076305   0.039992   0.120398
-    1SOL     H6    6  -0.090727  -0.002617  -0.024154
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035780   0.115808   0.064183
-    0SOL     H2    2   0.106125   0.173021   0.033514
-    0SOL     H3    3   0.069861   0.076936   0.144741
-    1SOL     O4    4  -0.039961  -0.121493  -0.072167
-    1SOL     H5    5  -0.130621  -0.096780  -0.053938
-    1SOL     H6    6   0.011613  -0.072476  -0.008137
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103864  -0.086448   0.049725
-    0SOL     H2    2  -0.191861  -0.076105   0.013506
-    0SOL     H3    3  -0.060640  -0.002905   0.031986
-    1SOL     O4    4   0.101356   0.081388  -0.043808
-    1SOL     H5    5   0.108266   0.067381  -0.138245
-    1SOL     H6    6   0.191667   0.094146  -0.014767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122957   0.057335  -0.058247
-    0SOL     H2    2  -0.061251  -0.009831  -0.029207
-    0SOL     H3    3  -0.149989   0.101507   0.022255
-    1SOL     O4    4   0.117438  -0.050931   0.048742
-    1SOL     H5    5   0.104051  -0.144823   0.035802
-    1SOL     H6    6   0.189600  -0.045387   0.111386
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082888  -0.113581  -0.032882
-    0SOL     H2    2  -0.003603  -0.069631  -0.002149
-    0SOL     H3    3  -0.052321  -0.198269  -0.065377
-    1SOL     O4    4   0.072927   0.110918   0.036292
-    1SOL     H5    5   0.048829   0.151385  -0.047039
-    1SOL     H6    6   0.152594   0.156730   0.063066
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073721   0.127370  -0.005176
-    0SOL     H2    2  -0.158880   0.116425  -0.047490
-    0SOL     H3    3  -0.037487   0.038875  -0.000920
-    1SOL     O4    4   0.070571  -0.118849   0.006598
-    1SOL     H5    5   0.146336  -0.108991  -0.051063
-    1SOL     H6    6   0.103033  -0.170682   0.080231
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110623   0.084165   0.035479
-    0SOL     H2    2  -0.046461   0.146538   0.069468
-    0SOL     H3    3  -0.143588   0.038932   0.113129
-    1SOL     O4    4   0.112957  -0.089127  -0.038869
-    1SOL     H5    5   0.041949  -0.034636  -0.004944
-    1SOL     H6    6   0.108764  -0.077644  -0.133805
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054992   0.138402  -0.003423
-    0SOL     H2    2   0.021130   0.191659  -0.026478
-    0SOL     H3    3  -0.025671   0.048098  -0.015579
-    1SOL     O4    4   0.050906  -0.130512   0.005430
-    1SOL     H5    5  -0.015776  -0.170209  -0.050605
-    1SOL     H6    6   0.081213  -0.202203   0.061147
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062349  -0.026643  -0.133224
-    0SOL     H2    2  -0.104760  -0.111291  -0.119139
-    0SOL     H3    3  -0.023986  -0.004603  -0.048343
-    1SOL     O4    4   0.060934   0.034209   0.122990
-    1SOL     H5    5   0.005579  -0.007721   0.188868
-    1SOL     H6    6   0.149242   0.002711   0.142273
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039234  -0.044663   0.134831
-    0SOL     H2    2   0.065419   0.010572   0.208491
-    0SOL     H3    3  -0.003122   0.015491   0.073595
-    1SOL     O4    4  -0.042473   0.042413  -0.130727
-    1SOL     H5    5  -0.046247  -0.048979  -0.158932
-    1SOL     H6    6   0.029297   0.080258  -0.181511
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.089408  -0.033641   0.111050
-    0SOL     H2    2   0.021889   0.030351   0.088497
-    0SOL     H3    3   0.142348   0.009873   0.177880
-    1SOL     O4    4  -0.085820   0.025672  -0.107272
-    1SOL     H5    5  -0.035138   0.045627  -0.185984
-    1SOL     H6    6  -0.176706   0.042027  -0.132462
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090613  -0.064294  -0.103627
-    0SOL     H2    2   0.054291   0.017652  -0.070044
-    0SOL     H3    3   0.109810  -0.115905  -0.025331
-    1SOL     O4    4  -0.087679   0.060535   0.091388
-    1SOL     H5    5  -0.137658   0.138794   0.114626
-    1SOL     H6    6  -0.070608   0.017246   0.175035
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089227   0.090217  -0.060915
-    0SOL     H2    2  -0.111086   0.175955  -0.024397
-    0SOL     H3    3  -0.159281   0.072276  -0.123628
-    1SOL     O4    4   0.095015  -0.092707   0.069011
-    1SOL     H5    5   0.126054  -0.174943   0.031114
-    1SOL     H6    6   0.061710  -0.042933  -0.005659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.138134   0.030488  -0.055407
-    0SOL     H2    2  -0.202937   0.089805  -0.017400
-    0SOL     H3    3  -0.074837   0.015868   0.014893
-    1SOL     O4    4   0.140306  -0.038971   0.047540
-    1SOL     H5    5   0.119850   0.035020  -0.009636
-    1SOL     H6    6   0.121229  -0.007117   0.135765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012693  -0.083583  -0.122172
-    0SOL     H2    2   0.060625  -0.144585  -0.114084
-    0SOL     H3    3   0.015939  -0.020238  -0.187974
-    1SOL     O4    4   0.010133   0.088219   0.127712
-    1SOL     H5    5   0.011843   0.052579   0.038891
-    1SOL     H6    6  -0.050277   0.031213   0.175286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061601  -0.037227   0.130689
-    0SOL     H2    2   0.023958  -0.076457   0.148096
-    0SOL     H3    3  -0.122402  -0.111156   0.130960
-    1SOL     O4    4   0.062379   0.046882  -0.137488
-    1SOL     H5    5  -0.024666   0.012209  -0.117909
-    1SOL     H6    6   0.113977   0.027836  -0.059148
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025933  -0.108072  -0.114160
-    0SOL     H2    2  -0.057426  -0.092374  -0.069809
-    0SOL     H3    3   0.067455  -0.021931  -0.118405
-    1SOL     O4    4  -0.027952   0.105550   0.115194
-    1SOL     H5    5   0.025310   0.032960   0.147692
-    1SOL     H6    6  -0.001636   0.115547   0.023707
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045124  -0.126634  -0.084808
-    0SOL     H2    2  -0.037114  -0.068424  -0.009246
-    0SOL     H3    3  -0.004855  -0.078135  -0.156839
-    1SOL     O4    4   0.047682   0.117825   0.080470
-    1SOL     H5    5  -0.044449   0.127568   0.056399
-    1SOL     H6    6   0.051849   0.146692   0.171638
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003364  -0.047240   0.139954
-    0SOL     H2    2   0.020191  -0.013871   0.228077
-    0SOL     H3    3  -0.078618  -0.095990   0.148001
-    1SOL     O4    4   0.003705   0.049272  -0.151830
-    1SOL     H5    5  -0.073947   0.093741  -0.117843
-    1SOL     H6    6   0.028490  -0.012012  -0.082604
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023151   0.118308  -0.098233
-    0SOL     H2    2  -0.066848   0.140034  -0.073933
-    0SOL     H3    3   0.077027   0.179040  -0.047524
-    1SOL     O4    4  -0.019263  -0.124569   0.100362
-    1SOL     H5    5  -0.082302  -0.172554   0.046641
-    1SOL     H6    6   0.006797  -0.050161   0.046080
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.100322  -0.075134  -0.094055
-    0SOL     H2    2   0.011512  -0.078978  -0.058553
-    0SOL     H3    3   0.095805  -0.125245  -0.175485
-    1SOL     O4    4  -0.098559   0.072361   0.093349
-    1SOL     H5    5  -0.021861   0.070266   0.150580
-    1SOL     H6    6  -0.122920   0.164838   0.089242
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083602  -0.003548  -0.127487
-    0SOL     H2    2   0.060228   0.032294  -0.213110
-    0SOL     H3    3   0.114153  -0.092319  -0.146157
-    1SOL     O4    4  -0.089656   0.010667   0.133068
-    1SOL     H5    5  -0.082534  -0.081719   0.157078
-    1SOL     H6    6   0.000024   0.037117   0.112567
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042925  -0.065121  -0.140325
-    0SOL     H2    2  -0.113319  -0.126495  -0.119343
-    0SOL     H3    3   0.014772  -0.067772  -0.063995
-    1SOL     O4    4   0.048518   0.065474   0.131565
-    1SOL     H5    5   0.049174   0.160668   0.141566
-    1SOL     H6    6  -0.031837   0.037303   0.175289
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059334   0.144981  -0.043483
-    0SOL     H2    2  -0.026343   0.056466  -0.028027
-    0SOL     H3    3  -0.153364   0.138824  -0.026665
-    1SOL     O4    4   0.061600  -0.134573   0.037789
-    1SOL     H5    5   0.041049  -0.141810   0.130996
-    1SOL     H6    6   0.102012  -0.218443   0.015541
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037361  -0.029154   0.154468
-    0SOL     H2    2   0.078699  -0.110716   0.182771
-    0SOL     H3    3   0.043542  -0.030997   0.058966
-    1SOL     O4    4  -0.036247   0.039786  -0.148203
-    1SOL     H5    5  -0.008248  -0.033163  -0.203492
-    1SOL     H6    6  -0.126914   0.019214  -0.125427
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007354  -0.077130  -0.141815
-    0SOL     H2    2   0.051338  -0.045825  -0.062773
-    0SOL     H3    3   0.047717  -0.027476  -0.213003
-    1SOL     O4    4  -0.018717   0.074597   0.139549
-    1SOL     H5    5   0.010265  -0.016434   0.145519
-    1SOL     H6    6   0.057420   0.125854   0.166721
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075917  -0.145201  -0.007951
-    0SOL     H2    2   0.090441  -0.167346   0.084033
-    0SOL     H3    3   0.124396  -0.063697  -0.020958
-    1SOL     O4    4  -0.078711   0.145552   0.008550
-    1SOL     H5    5  -0.062549   0.051219   0.006983
-    1SOL     H6    6  -0.110456   0.165926  -0.079424
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057164  -0.121383  -0.087008
-    0SOL     H2    2   0.028012  -0.150200  -0.119826
-    0SOL     H3    3  -0.114687  -0.124643  -0.163446
-    1SOL     O4    4   0.054372   0.130247   0.094409
-    1SOL     H5    5   0.118006   0.076131   0.141148
-    1SOL     H6    6   0.007371   0.068770   0.038072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026865   0.009347  -0.158509
-    0SOL     H2    2   0.065577  -0.014808  -0.152750
-    0SOL     H3    3  -0.054064  -0.020345  -0.245348
-    1SOL     O4    4   0.022001   0.000120   0.165798
-    1SOL     H5    5  -0.043831  -0.068478   0.154724
-    1SOL     H6    6   0.103101  -0.038975   0.133292
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051313   0.150456  -0.050254
-    0SOL     H2    2   0.066056   0.055898  -0.052173
-    0SOL     H3    3   0.062806   0.178384  -0.141085
-    1SOL     O4    4  -0.049604  -0.143424   0.051216
-    1SOL     H5    5  -0.138191  -0.133441   0.086074
-    1SOL     H6    6  -0.014251  -0.219688   0.097000
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042264   0.013916   0.153787
-    0SOL     H2    2   0.093919   0.010619   0.234305
-    0SOL     H3    3  -0.034990   0.065477   0.176929
-    1SOL     O4    4  -0.042165  -0.019969  -0.165797
-    1SOL     H5    5   0.025798  -0.046009  -0.103627
-    1SOL     H6    6  -0.081658   0.058062  -0.126889
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122114  -0.100385  -0.058081
-    0SOL     H2    2   0.162175  -0.097896  -0.144979
-    0SOL     H3    3   0.072743  -0.018601  -0.052064
-    1SOL     O4    4  -0.116848   0.099145   0.062416
-    1SOL     H5    5  -0.146597   0.047922   0.137606
-    1SOL     H6    6  -0.179537   0.078595  -0.006939
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084684  -0.096742  -0.123499
-    0SOL     H2    2   0.001543  -0.106986  -0.083221
-    0SOL     H3    3  -0.137771  -0.054313  -0.056091
-    1SOL     O4    4   0.076650   0.093913   0.116514
-    1SOL     H5    5   0.144845   0.091694   0.049382
-    1SOL     H6    6   0.123134   0.115991   0.197223
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128045   0.097838   0.076481
-    0SOL     H2    2   0.167607   0.010969   0.083627
-    0SOL     H3    3   0.122076   0.113815  -0.017708
-    1SOL     O4    4  -0.127231  -0.093438  -0.078294
-    1SOL     H5    5  -0.164347  -0.023811  -0.024101
-    1SOL     H6    6  -0.135075  -0.172343  -0.024677
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025610   0.127382   0.127067
-    0SOL     H2    2   0.101006   0.077930   0.094938
-    0SOL     H3    3   0.050319   0.219114   0.115359
-    1SOL     O4    4  -0.034894  -0.129439  -0.129269
-    1SOL     H5    5  -0.057159  -0.176031  -0.048672
-    1SOL     H6    6   0.052805  -0.094535  -0.113366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085097  -0.135013  -0.112862
-    0SOL     H2    2   0.014535  -0.195651  -0.090357
-    0SOL     H3    3   0.135522  -0.125806  -0.032024
-    1SOL     O4    4  -0.088533   0.133226   0.110593
-    1SOL     H5    5  -0.100261   0.227111   0.096091
-    1SOL     H6    6  -0.003337   0.113396   0.071726
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092875   0.172371  -0.025898
-    0SOL     H2    2  -0.091876   0.256402   0.019929
-    0SOL     H3    3  -0.140602   0.113639   0.032710
-    1SOL     O4    4   0.098269  -0.171037   0.024608
-    1SOL     H5    5   0.066649  -0.261290   0.020489
-    1SOL     H6    6   0.080541  -0.135400  -0.062443
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017957   0.120331  -0.156025
-    0SOL     H2    2  -0.055437   0.068996  -0.189793
-    0SOL     H3    3  -0.011933   0.211125  -0.161059
-    1SOL     O4    4  -0.013815  -0.125066   0.163416
-    1SOL     H5    5   0.027279  -0.168177   0.088482
-    1SOL     H6    6  -0.020941  -0.033244   0.137336
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046962  -0.165318  -0.106091
-    0SOL     H2    2   0.083267  -0.143048  -0.020368
-    0SOL     H3    3   0.118936  -0.150085  -0.167328
-    1SOL     O4    4  -0.048895   0.159339   0.108847
-    1SOL     H5    5  -0.073277   0.251793   0.113321
-    1SOL     H6    6  -0.094222   0.126292   0.031287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025506   0.136937  -0.166288
-    0SOL     H2    2   0.024352   0.075376  -0.220016
-    0SOL     H3    3  -0.009146   0.108909  -0.076237
-    1SOL     O4    4   0.015977  -0.131716   0.166055
-    1SOL     H5    5   0.076476  -0.061687   0.141596
-    1SOL     H6    6   0.067826  -0.211849   0.158791
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015096  -0.172723   0.148155
-    0SOL     H2    2  -0.056501  -0.121830   0.110126
-    0SOL     H3    3   0.093068  -0.143393   0.101013
-    1SOL     O4    4  -0.014785   0.162607  -0.140274
-    1SOL     H5    5   0.055339   0.205799  -0.189053
-    1SOL     H6    6  -0.089748   0.221518  -0.148783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040765   0.110231  -0.182769
-    0SOL     H2    2   0.101466   0.182110  -0.200409
-    0SOL     H3    3   0.032041   0.065042  -0.266698
-    1SOL     O4    4  -0.049009  -0.109510   0.191533
-    1SOL     H5    5   0.010331  -0.174437   0.229290
-    1SOL     H6    6  -0.010742  -0.088726   0.106292
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060284   0.121857  -0.181675
-    0SOL     H2    2   0.149088   0.086211  -0.179299
-    0SOL     H3    3   0.068292   0.208857  -0.142570
-    1SOL     O4    4  -0.062325  -0.121189   0.183567
-    1SOL     H5    5  -0.041909  -0.208924   0.151193
-    1SOL     H6    6  -0.144123  -0.097845   0.139677
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062647  -0.070824  -0.204137
-    0SOL     H2    2  -0.009120  -0.132586  -0.190096
-    0SOL     H3    3   0.104158  -0.100294  -0.285197
-    1SOL     O4    4  -0.063769   0.078716   0.213136
-    1SOL     H5    5  -0.100263   0.013087   0.153778
-    1SOL     H6    6   0.024193   0.095423   0.179284
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111541   0.198708  -0.081069
-    0SOL     H2    2   0.170496   0.125727  -0.100051
-    0SOL     H3    3   0.035790   0.158047  -0.038989
-    1SOL     O4    4  -0.114512  -0.190944   0.084802
-    1SOL     H5    5  -0.038167  -0.248278   0.091629
-    1SOL     H6    6  -0.118711  -0.167511  -0.007911
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030518  -0.022721   0.259259
-    0SOL     H2    2   0.068678  -0.000772   0.174263
-    0SOL     H3    3   0.077632   0.032461   0.321688
-    1SOL     O4    4  -0.033771   0.016389  -0.251803
-    1SOL     H5    5  -0.005843  -0.022667  -0.334609
-    1SOL     H6    6  -0.094395   0.085934  -0.277310
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067355  -0.202554  -0.155717
-    0SOL     H2    2   0.039792  -0.288786  -0.124625
-    0SOL     H3    3   0.162752  -0.208327  -0.161042
-    1SOL     O4    4  -0.069332   0.202218   0.155356
-    1SOL     H5    5  -0.011345   0.275764   0.135585
-    1SOL     H6    6  -0.157355   0.239752   0.153001
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039961   0.110855  -0.246597
-    0SOL     H2    2   0.107015   0.051055  -0.279612
-    0SOL     H3    3   0.059655   0.194562  -0.288639
-    1SOL     O4    4  -0.045773  -0.118842   0.247446
-    1SOL     H5    5  -0.103544  -0.082953   0.314802
-    1SOL     H6    6   0.023061  -0.053097   0.237350
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088863   0.268713   0.038780
-    0SOL     H2    2   0.168786   0.281883   0.089782
-    0SOL     H3    3   0.022562   0.320697   0.084213
-    1SOL     O4    4  -0.093032  -0.270768  -0.050332
-    1SOL     H5    5   0.001399  -0.269190  -0.034758
-    1SOL     H6    6  -0.130137  -0.305721   0.030685
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.023357  -0.292945   0.030482
-    0SOL     H2    2  -0.114145  -0.262921   0.026182
-    0SOL     H3    3  -0.012983  -0.349088  -0.046347
-    1SOL     O4    4   0.030932   0.295430  -0.019292
-    1SOL     H5    5  -0.011447   0.360797  -0.074911
-    1SOL     H6    6   0.025484   0.214083  -0.069443
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044346  -0.004707  -0.293359
-    0SOL     H2    2  -0.030328  -0.048854  -0.377125
-    0SOL     H3    3  -0.075677  -0.073668  -0.234834
-    1SOL     O4    4   0.041894   0.006485   0.299214
-    1SOL     H5    5   0.081781  -0.022626   0.217215
-    1SOL     H6    6   0.060375   0.100332   0.302901
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015142  -0.031020   0.293774
-    0SOL     H2    2  -0.076289  -0.046516   0.270056
-    0SOL     H3    3   0.012321  -0.008434   0.386748
-    1SOL     O4    4  -0.008420   0.036858  -0.300009
-    1SOL     H5    5  -0.091254  -0.005949  -0.278366
-    1SOL     H6    6   0.057762  -0.031119  -0.287301
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004620   0.249003   0.244125
-    0SOL     H2    2   0.013927   0.281465   0.333690
-    0SOL     H3    3   0.002554   0.153738   0.253220
-    1SOL     O4    4   0.000730  -0.243171  -0.248109
-    1SOL     H5    5  -0.071909  -0.246874  -0.185883
-    1SOL     H6    6  -0.034832  -0.280496  -0.328760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018717   0.133752  -0.338263
-    0SOL     H2    2  -0.015843   0.055372  -0.380976
-    0SOL     H3    3  -0.019503   0.132098  -0.250520
-    1SOL     O4    4  -0.017155  -0.131488   0.329197
-    1SOL     H5    5   0.031518  -0.050425   0.344101
-    1SOL     H6    6  -0.023320  -0.172026   0.415689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.152897  -0.243656   0.232212
-    0SOL     H2    2   0.198409  -0.308486   0.285952
-    0SOL     H3    3   0.097352  -0.295486   0.173981
-    1SOL     O4    4  -0.157821   0.252347  -0.234834
-    1SOL     H5    5  -0.148177   0.207875  -0.150623
-    1SOL     H6    6  -0.068782   0.257499  -0.269589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085663   0.165049  -0.345376
-    0SOL     H2    2  -0.087050   0.157062  -0.250000
-    0SOL     H3    3  -0.060925   0.256104  -0.361477
-    1SOL     O4    4   0.086645  -0.167079   0.336390
-    1SOL     H5    5   0.012910  -0.135262   0.388479
-    1SOL     H6    6   0.112903  -0.248553   0.379225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.325701  -0.048764  -0.222493
-    0SOL     H2    2  -0.272989   0.005684  -0.164020
-    0SOL     H3    3  -0.282201  -0.134024  -0.221601
-    1SOL     O4    4   0.321412   0.049207   0.212616
-    1SOL     H5    5   0.325452  -0.017983   0.280671
-    1SOL     H6    6   0.304011   0.130465   0.260120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013718   0.508861  -0.133194
-    0SOL     H2    2  -0.029974   0.597108  -0.166517
-    0SOL     H3    3  -0.098208   0.464483  -0.140565
-    1SOL     O4    4   0.020039  -0.515384   0.140470
-    1SOL     H5    5  -0.059964  -0.475455   0.106301
-    1SOL     H6    6   0.089769  -0.480966   0.084654
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099572  -0.520771  -0.217849
-    0SOL     H2    2  -0.033300  -0.452680  -0.206276
-    0SOL     H3    3  -0.174170  -0.490726  -0.165938
-    1SOL     O4    4   0.098328   0.511381   0.218623
-    1SOL     H5    5   0.038866   0.567346   0.168678
-    1SOL     H6    6   0.185466   0.533722   0.185909
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062477   0.360252  -0.493009
-    0SOL     H2    2   0.062172   0.264951  -0.501950
-    0SOL     H3    3   0.056421   0.392801  -0.582821
-    1SOL     O4    4  -0.057284  -0.359520   0.495811
-    1SOL     H5    5  -0.086040  -0.269389   0.481257
-    1SOL     H6    6  -0.124326  -0.397192   0.552807
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.619860   0.128661   0.144428
-    0SOL     H2    2  -0.599478   0.035718   0.134018
-    0SOL     H3    3  -0.691175   0.144660   0.082617
-    1SOL     O4    4   0.618930  -0.130022  -0.143556
-    1SOL     H5    5   0.670778  -0.064099  -0.189689
-    1SOL     H6    6   0.629182  -0.108118  -0.050941
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139509  -0.688284   0.141478
-    0SOL     H2    2   0.228277  -0.663323   0.167159
-    0SOL     H3    3   0.115260  -0.757437   0.203059
-    1SOL     O4    4  -0.147565   0.686314  -0.143412
-    1SOL     H5    5  -0.054761   0.691336  -0.120512
-    1SOL     H6    6  -0.159228   0.752997  -0.211085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.368207   0.570314   0.309675
-    0SOL     H2    2  -0.330831   0.504396   0.251193
-    0SOL     H3    3  -0.456885   0.584333   0.276480
-    1SOL     O4    4   0.368521  -0.571619  -0.309477
-    1SOL     H5    5   0.359625  -0.476326  -0.307886
-    1SOL     H6    6   0.416041  -0.592631  -0.229086
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.566011   0.430295  -0.508065
-    0SOL     H2    2   0.488375   0.459132  -0.556058
-    0SOL     H3    3   0.630429   0.499545  -0.522797
-    1SOL     O4    4  -0.565216  -0.440144   0.516612
-    1SOL     H5    5  -0.637915  -0.386622   0.484793
-    1SOL     H6    6  -0.492020  -0.417829   0.459108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.940375  -0.086723   0.273346
-    0SOL     H2    2  -0.894957  -0.164960   0.242066
-    0SOL     H3    3  -1.033323  -0.107514   0.263830
-    1SOL     O4    4   0.944180   0.085390  -0.267962
-    1SOL     H5    5   0.984800   0.118753  -0.347957
-    1SOL     H6    6   0.882756   0.153992  -0.241824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.899652  -0.510614   0.126969
-    0SOL     H2    2   0.865090  -0.573927   0.064046
-    0SOL     H3    3   0.990661  -0.497549   0.100342
-    1SOL     O4    4  -0.906773   0.509153  -0.118512
-    1SOL     H5    5  -0.834282   0.563324  -0.087320
-    1SOL     H6    6  -0.908708   0.523793  -0.213086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   1.015810  -0.261134   0.151825
-    0SOL     H2    2   1.038808  -0.281532   0.242475
-    0SOL     H3    3   0.965278  -0.180040   0.157552
-    1SOL     O4    4  -1.013697   0.253560  -0.160823
-    1SOL     H5    5  -1.050092   0.247904  -0.072473
-    1SOL     H6    6  -0.990652   0.345858  -0.171421
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001738  -0.035221   0.123399
-    0SOL     H2    2   0.073174   0.015144   0.155242
-    0SOL     H3    3   0.034932  -0.120414   0.099739
-    1SOL     O4    4  -0.010334   0.037151  -0.128432
-    1SOL     H5    5  -0.012734   0.024741  -0.033550
-    1SOL     H6    6   0.082003   0.052726  -0.148270
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021183  -0.013709   0.134978
-    0SOL     H2    2   0.072738  -0.091130   0.112389
-    0SOL     H3    3   0.000700   0.026897   0.050752
-    1SOL     O4    4  -0.019917   0.015761  -0.123112
-    1SOL     H5    5  -0.095495  -0.037308  -0.148290
-    1SOL     H6    6  -0.006662   0.075204  -0.196957
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021413  -0.111484   0.053769
-    0SOL     H2    2  -0.034786  -0.134771   0.127673
-    0SOL     H3    3   0.091415  -0.176749   0.055353
-    1SOL     O4    4  -0.022968   0.118672  -0.063485
-    1SOL     H5    5  -0.006363   0.027264  -0.040435
-    1SOL     H6    6  -0.027534   0.164177   0.020603
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040561  -0.064421  -0.113070
-    0SOL     H2    2   0.061579   0.014781  -0.162543
-    0SOL     H3    3   0.040961  -0.036367  -0.021554
-    1SOL     O4    4  -0.035596   0.056281   0.113798
-    1SOL     H5    5  -0.114797   0.004769   0.098431
-    1SOL     H6    6  -0.057852   0.144215   0.083226
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002431   0.128074   0.018176
-    0SOL     H2    2  -0.083292   0.118371   0.068471
-    0SOL     H3    3   0.053936   0.182102   0.073548
-    1SOL     O4    4   0.007712  -0.135703  -0.022723
-    1SOL     H5    5  -0.072300  -0.140441  -0.075048
-    1SOL     H6    6   0.018365  -0.042530  -0.003548
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009808   0.124694   0.031958
-    0SOL     H2    2  -0.064637   0.184615   0.026496
-    0SOL     H3    3   0.042618   0.135260   0.121256
-    1SOL     O4    4  -0.012163  -0.134431  -0.036602
-    1SOL     H5    5   0.074210  -0.133366  -0.077842
-    1SOL     H6    6  -0.022519  -0.046462  -0.000318
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.096846  -0.092349   0.004210
-    0SOL     H2    2   0.087887  -0.132422  -0.082255
-    0SOL     H3    3   0.034704  -0.139966   0.059285
-    1SOL     O4    4  -0.096566   0.096246   0.003194
-    1SOL     H5    5  -0.006912   0.066863  -0.012964
-    1SOL     H6    6  -0.121227   0.143050  -0.076577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119114  -0.055270  -0.006058
-    0SOL     H2    2  -0.199639  -0.032399   0.040363
-    0SOL     H3    3  -0.136363  -0.031519  -0.097166
-    1SOL     O4    4   0.126566   0.051480   0.001425
-    1SOL     H5    5   0.043982   0.020526   0.038627
-    1SOL     H6    6   0.165758   0.104515   0.070806
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075998  -0.003001   0.112918
-    0SOL     H2    2   0.054184   0.019066   0.203470
-    0SOL     H3    3  -0.008539  -0.007260   0.068223
-    1SOL     O4    4  -0.076023   0.001837  -0.113422
-    1SOL     H5    5  -0.025083   0.081956  -0.125601
-    1SOL     H6    6  -0.016604  -0.068565  -0.139411
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006996  -0.117976  -0.053291
-    0SOL     H2    2   0.050456  -0.187765  -0.021808
-    0SOL     H3    3  -0.024367  -0.140583  -0.144667
-    1SOL     O4    4   0.007425   0.127083   0.062891
-    1SOL     H5    5  -0.041675   0.162156  -0.011416
-    1SOL     H6    6   0.015487   0.033528   0.044320
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069895   0.089191   0.068623
-    0SOL     H2    2   0.154921   0.046333   0.058825
-    0SOL     H3    3   0.084666   0.178925   0.038757
-    1SOL     O4    4  -0.075553  -0.096535  -0.071018
-    1SOL     H5    5  -0.154753  -0.053815  -0.038389
-    1SOL     H6    6  -0.004764  -0.059146  -0.018548
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048024  -0.114913   0.063437
-    0SOL     H2    2  -0.023494  -0.199030   0.024903
-    0SOL     H3    3   0.005733  -0.050694   0.017085
-    1SOL     O4    4   0.046754   0.109917  -0.057510
-    1SOL     H5    5   0.033080   0.177231   0.009155
-    1SOL     H6    6   0.003996   0.144635  -0.135796
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085030  -0.023436   0.110340
-    0SOL     H2    2   0.098391  -0.116857   0.126350
-    0SOL     H3    3   0.024112  -0.020200   0.036578
-    1SOL     O4    4  -0.078589   0.030368  -0.101200
-    1SOL     H5    5  -0.059767  -0.031232  -0.172007
-    1SOL     H6    6  -0.163319   0.068401  -0.124368
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119468  -0.075574   0.012805
-    0SOL     H2    2  -0.032466  -0.042327  -0.009279
-    0SOL     H3    3  -0.103510  -0.163291   0.047639
-    1SOL     O4    4   0.107668   0.077792  -0.017124
-    1SOL     H5    5   0.112654   0.088238   0.077893
-    1SOL     H6    6   0.198433   0.084420  -0.046792
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094418  -0.109468  -0.007833
-    0SOL     H2    2  -0.137375  -0.063539   0.064331
-    0SOL     H3    3  -0.014975  -0.058785  -0.024633
-    1SOL     O4    4   0.091270   0.096887   0.002037
-    1SOL     H5    5   0.069553   0.178160  -0.043629
-    1SOL     H6    6   0.126487   0.125406   0.086350
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056237   0.095545  -0.089527
-    0SOL     H2    2   0.031818   0.017234  -0.040197
-    0SOL     H3    3  -0.005752   0.098296  -0.162411
-    1SOL     O4    4  -0.048722  -0.088450   0.086532
-    1SOL     H5    5  -0.060030  -0.062297   0.177914
-    1SOL     H6    6  -0.092707  -0.173230   0.080214
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044627  -0.132956   0.020244
-    0SOL     H2    2  -0.010135  -0.204256  -0.033505
-    0SOL     H3    3  -0.058282  -0.060938  -0.041313
-    1SOL     O4    4   0.039141   0.136318  -0.010817
-    1SOL     H5    5   0.074492   0.145878  -0.099255
-    1SOL     H6    6   0.084508   0.060043   0.025046
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071823   0.086682  -0.086560
-    0SOL     H2    2   0.033353   0.005391  -0.119336
-    0SOL     H3    3   0.007403   0.154118  -0.108115
-    1SOL     O4    4  -0.072147  -0.087182   0.087080
-    1SOL     H5    5  -0.025540  -0.139129   0.152591
-    1SOL     H6    6  -0.011851  -0.016029   0.065538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051876  -0.003297   0.126532
-    0SOL     H2    2   0.031017   0.077098   0.174112
-    0SOL     H3    3   0.002891  -0.071645   0.172263
-    1SOL     O4    4  -0.047092   0.004584  -0.138627
-    1SOL     H5    5  -0.121433  -0.020069  -0.083600
-    1SOL     H6    6   0.029153  -0.004632  -0.081494
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.086882  -0.102049   0.055128
-    0SOL     H2    2   0.174266  -0.063066   0.052545
-    0SOL     H3    3   0.027326  -0.028384   0.041390
-    1SOL     O4    4  -0.085755   0.089484  -0.056084
-    1SOL     H5    5  -0.168151   0.110572  -0.012168
-    1SOL     H6    6  -0.043566   0.174278  -0.069953
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062737  -0.035557   0.123793
-    0SOL     H2    2  -0.069162   0.028972   0.194200
-    0SOL     H3    3  -0.023381   0.012339   0.050859
-    1SOL     O4    4   0.055258   0.032839  -0.123146
-    1SOL     H5    5   0.072353  -0.060817  -0.133078
-    1SOL     H6    6   0.141886   0.073466  -0.125855
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010911  -0.126906  -0.049298
-    0SOL     H2    2  -0.010775  -0.092473  -0.135937
-    0SOL     H3    3   0.055147  -0.209954  -0.066861
-    1SOL     O4    4  -0.018270   0.131782   0.052729
-    1SOL     H5    5   0.021817   0.166194   0.132549
-    1SOL     H6    6   0.044406   0.067075   0.020370
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074308   0.121188  -0.034628
-    0SOL     H2    2  -0.044930   0.135066  -0.124665
-    0SOL     H3    3  -0.036571   0.036794  -0.009810
-    1SOL     O4    4   0.067399  -0.111437   0.038635
-    1SOL     H5    5   0.045434  -0.184750  -0.018855
-    1SOL     H6    6   0.144553  -0.141079   0.086915
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024067  -0.085756   0.115556
-    0SOL     H2    2   0.002395  -0.042854   0.032779
-    0SOL     H3    3  -0.042876  -0.153407   0.125771
-    1SOL     O4    4  -0.021149   0.086782  -0.104636
-    1SOL     H5    5  -0.052077   0.042912  -0.183891
-    1SOL     H6    6   0.054064   0.138425  -0.133589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030266  -0.130839   0.054622
-    0SOL     H2    2  -0.110926  -0.159749   0.097289
-    0SOL     H3    3  -0.038130  -0.035532   0.050494
-    1SOL     O4    4   0.028100   0.127051  -0.058075
-    1SOL     H5    5   0.074100   0.189146  -0.001590
-    1SOL     H6    6   0.096726   0.068751  -0.090539
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067292   0.113946  -0.048039
-    0SOL     H2    2   0.117240   0.145485   0.027280
-    0SOL     H3    3   0.133801   0.089092  -0.112236
-    1SOL     O4    4  -0.071014  -0.119812   0.050687
-    1SOL     H5    5  -0.159410  -0.083938   0.042835
-    1SOL     H6    6  -0.015798  -0.058377   0.002322
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018090  -0.038269   0.142629
-    0SOL     H2    2  -0.018370  -0.017103   0.049279
-    0SOL     H3    3   0.049772   0.018076   0.179809
-    1SOL     O4    4   0.014052   0.036157  -0.133613
-    1SOL     H5    5  -0.047890   0.054791  -0.204170
-    1SOL     H6    6   0.077978  -0.023292  -0.172875
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020774  -0.024923  -0.135626
-    0SOL     H2    2  -0.007912   0.043753  -0.201053
-    0SOL     H3    3  -0.110603  -0.054877  -0.149617
-    1SOL     O4    4   0.021383   0.018608   0.144545
-    1SOL     H5    5   0.088640   0.082353   0.168532
-    1SOL     H6    6   0.018185   0.021922   0.048936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016714  -0.101301  -0.093509
-    0SOL     H2    2  -0.101030  -0.146054  -0.100600
-    0SOL     H3    3   0.048171  -0.169415  -0.111194
-    1SOL     O4    4   0.023565   0.108674   0.097931
-    1SOL     H5    5  -0.049214   0.170456   0.090966
-    1SOL     H6    6  -0.007800   0.029597   0.054054
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100362  -0.064482  -0.089588
-    0SOL     H2    2  -0.177270  -0.007638  -0.093618
-    0SOL     H3    3  -0.037003  -0.015455  -0.037202
-    1SOL     O4    4   0.097335   0.057836   0.080624
-    1SOL     H5    5   0.103249  -0.011612   0.146231
-    1SOL     H6    6   0.152068   0.128307   0.115273
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.130974   0.033085   0.037947
-    0SOL     H2    2   0.144530   0.112906  -0.013114
-    0SOL     H3    3   0.164637   0.054281   0.125009
-    1SOL     O4    4  -0.139339  -0.042078  -0.038452
-    1SOL     H5    5  -0.107114  -0.022894  -0.126519
-    1SOL     H6    6  -0.072348  -0.006455   0.019905
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052668  -0.016301   0.137216
-    0SOL     H2    2   0.014885   0.013264   0.054386
-    0SOL     H3    3   0.064009   0.063807   0.188368
-    1SOL     O4    4  -0.045371   0.008265  -0.131164
-    1SOL     H5    5  -0.119564  -0.047940  -0.153496
-    1SOL     H6    6  -0.063921   0.091156  -0.175292
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.064286  -0.125077  -0.044432
-    0SOL     H2    2   0.119864  -0.172225   0.017621
-    0SOL     H3    3   0.016952  -0.061510   0.009243
-    1SOL     O4    4  -0.064433   0.118015   0.039563
-    1SOL     H5    5  -0.011775   0.188516   0.077233
-    1SOL     H6    6  -0.122675   0.162017  -0.022356
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061543  -0.134321  -0.023865
-    0SOL     H2    2  -0.016763  -0.050444  -0.012835
-    0SOL     H3    3  -0.046694  -0.180488   0.058661
-    1SOL     O4    4   0.063428   0.128776   0.016074
-    1SOL     H5    5   0.065093   0.198603   0.081524
-    1SOL     H6    6  -0.028963   0.120073  -0.007389
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.117180   0.027933   0.090341
-    0SOL     H2    2  -0.072901   0.063218   0.167521
-    0SOL     H3    3  -0.048597   0.022305   0.023804
-    1SOL     O4    4   0.108735  -0.027295  -0.083927
-    1SOL     H5    5   0.084325  -0.110994  -0.123434
-    1SOL     H6    6   0.156364   0.018843  -0.152957
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126808   0.028934  -0.066145
-    0SOL     H2    2  -0.070417   0.082331  -0.122103
-    0SOL     H3    3  -0.136956  -0.053405  -0.113891
-    1SOL     O4    4   0.126301  -0.028956   0.077854
-    1SOL     H5    5   0.182999  -0.002406   0.005447
-    1SOL     H6    6   0.038074  -0.028302   0.040733
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047200   0.140764   0.007457
-    0SOL     H2    2  -0.013046   0.214535  -0.002048
-    0SOL     H3    3  -0.005126   0.063945  -0.015417
-    1SOL     O4    4  -0.034905  -0.137386  -0.008132
-    1SOL     H5    5  -0.119799  -0.150344  -0.050410
-    1SOL     H6    6  -0.044211  -0.178904   0.077612
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028306   0.017415   0.149779
-    0SOL     H2    2  -0.081031   0.075597   0.095032
-    0SOL     H3    3   0.025881  -0.031340   0.087739
-    1SOL     O4    4   0.034209  -0.019721  -0.139051
-    1SOL     H5    5  -0.035459   0.041183  -0.114569
-    1SOL     H6    6   0.009001  -0.051408  -0.225786
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.121314  -0.075513   0.030980
-    0SOL     H2    2  -0.143313  -0.149447  -0.025696
-    0SOL     H3    3  -0.055162  -0.110070   0.090913
-    1SOL     O4    4   0.125244   0.079835  -0.033633
-    1SOL     H5    5   0.105116   0.140320   0.037772
-    1SOL     H6    6   0.040545   0.042554  -0.058100
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002749   0.141803   0.010686
-    0SOL     H2    2   0.027641   0.184248  -0.071419
-    0SOL     H3    3   0.003059   0.212445   0.075277
-    1SOL     O4    4  -0.005660  -0.152119  -0.004167
-    1SOL     H5    5   0.011830  -0.058013  -0.004812
-    1SOL     H6    6   0.001640  -0.178515  -0.095886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037511  -0.038928   0.144630
-    0SOL     H2    2   0.030047   0.027907   0.133169
-    0SOL     H3    3  -0.085292  -0.039224   0.061689
-    1SOL     O4    4   0.030788   0.036446  -0.137302
-    1SOL     H5    5   0.063450  -0.050067  -0.162022
-    1SOL     H6    6   0.102184   0.096260  -0.159373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022434  -0.032552   0.143152
-    0SOL     H2    2  -0.023648   0.047203   0.169187
-    0SOL     H3    3  -0.042338  -0.102231   0.153726
-    1SOL     O4    4  -0.021431   0.032023  -0.146219
-    1SOL     H5    5   0.044702   0.054367  -0.211712
-    1SOL     H6    6   0.028878   0.010568  -0.067663
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013659   0.095968  -0.120138
-    0SOL     H2    2  -0.002894   0.038637  -0.045295
-    0SOL     H3    3   0.010089   0.184463  -0.083832
-    1SOL     O4    4  -0.011510  -0.092006   0.109035
-    1SOL     H5    5  -0.060142  -0.099890   0.191102
-    1SOL     H6    6   0.024476  -0.179415   0.093971
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030015   0.019641   0.152581
-    0SOL     H2    2   0.121942   0.006975   0.129103
-    0SOL     H3    3  -0.015513   0.026180   0.068636
-    1SOL     O4    4  -0.036082  -0.019107  -0.141055
-    1SOL     H5    5   0.029048  -0.083848  -0.168056
-    1SOL     H6    6  -0.039349   0.043320  -0.213543
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052355  -0.001653   0.138816
-    0SOL     H2    2   0.003906  -0.077588   0.171201
-    0SOL     H3    3   0.025913   0.070050   0.196451
-    1SOL     O4    4  -0.047204  -0.004406  -0.146008
-    1SOL     H5    5  -0.053847   0.031474  -0.057517
-    1SOL     H6    6  -0.052145   0.072078  -0.203350
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088180  -0.021722  -0.128461
-    0SOL     H2    2  -0.061749  -0.064512  -0.047020
-    0SOL     H3    3  -0.107875   0.068402  -0.102924
-    1SOL     O4    4   0.085273   0.024370   0.120120
-    1SOL     H5    5   0.146335  -0.036959   0.079225
-    1SOL     H6    6   0.070230  -0.011478   0.207590
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038730  -0.126047   0.086189
-    0SOL     H2    2  -0.082305  -0.051487   0.044906
-    0SOL     H3    3   0.033926  -0.087349   0.135034
-    1SOL     O4    4   0.042762   0.119533  -0.081590
-    1SOL     H5    5  -0.046365   0.151970  -0.068688
-    1SOL     H6    6   0.045186   0.091801  -0.173172
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099676   0.110464  -0.008380
-    0SOL     H2    2  -0.037639   0.181854  -0.023115
-    0SOL     H3    3  -0.156262   0.142004   0.062087
-    1SOL     O4    4   0.095487  -0.119480   0.002247
-    1SOL     H5    5   0.074833  -0.027504   0.018865
-    1SOL     H6    6   0.177143  -0.134713   0.049813
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046916   0.054028   0.142966
-    0SOL     H2    2  -0.131650   0.025017   0.109189
-    0SOL     H3    3   0.016543   0.023154   0.078297
-    1SOL     O4    4   0.042803  -0.051178  -0.133901
-    1SOL     H5    5   0.102524  -0.122096  -0.157699
-    1SOL     H6    6   0.083153   0.027498  -0.170564
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.143601   0.056115   0.011789
-    0SOL     H2    2  -0.092225   0.001255  -0.047484
-    0SOL     H3    3  -0.234446   0.041285  -0.014472
-    1SOL     O4    4   0.144013  -0.047874  -0.012019
-    1SOL     H5    5   0.098516  -0.122916   0.026205
-    1SOL     H6    6   0.224341  -0.039772   0.039402
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.082296  -0.121938  -0.059470
-    0SOL     H2    2   0.054199  -0.045573  -0.009058
-    0SOL     H3    3   0.155089  -0.090024  -0.112810
-    1SOL     O4    4  -0.086491   0.110110   0.062340
-    1SOL     H5    5  -0.031541   0.179962   0.097887
-    1SOL     H6    6  -0.115053   0.143056  -0.022872
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005005   0.139768  -0.080034
-    0SOL     H2    2   0.038483   0.076779  -0.022558
-    0SOL     H3    3  -0.028737   0.212427  -0.022416
-    1SOL     O4    4   0.008613  -0.135626   0.073051
-    1SOL     H5    5  -0.056603  -0.148493   0.141925
-    1SOL     H6    6  -0.010476  -0.204006   0.008848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043295  -0.036581  -0.144281
-    0SOL     H2    2  -0.082778   0.030874  -0.199536
-    0SOL     H3    3   0.016609  -0.083284  -0.202528
-    1SOL     O4    4   0.043852   0.031847   0.156439
-    1SOL     H5    5   0.018227   0.123954   0.151745
-    1SOL     H6    6   0.040977   0.001483   0.065708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.143742  -0.018665  -0.083369
-    0SOL     H2    2  -0.080633   0.032097  -0.032351
-    0SOL     H3    3  -0.119001  -0.003077  -0.174512
-    1SOL     O4    4   0.139562   0.011352   0.079622
-    1SOL     H5    5   0.089558  -0.023960   0.153209
-    1SOL     H6    6   0.169331   0.097168   0.109814
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084844  -0.148421   0.012859
-    0SOL     H2    2  -0.059182  -0.081731   0.076549
-    0SOL     H3    3  -0.054465  -0.114246  -0.071234
-    1SOL     O4    4   0.085179   0.142801  -0.006252
-    1SOL     H5    5   0.027852   0.211254  -0.040750
-    1SOL     H6    6   0.076901   0.070799  -0.068779
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006835  -0.168508   0.027088
-    0SOL     H2    2  -0.097710  -0.140997   0.014954
-    0SOL     H3    3   0.038157  -0.089819   0.057849
-    1SOL     O4    4   0.008300   0.164066  -0.021706
-    1SOL     H5    5  -0.046913   0.185442  -0.096918
-    1SOL     H6    6   0.085733   0.122634  -0.059783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035052  -0.156960   0.047833
-    0SOL     H2    2  -0.022293  -0.093908   0.118713
-    0SOL     H3    3   0.043297  -0.211898   0.050191
-    1SOL     O4    4   0.034302   0.159986  -0.048535
-    1SOL     H5    5  -0.005620   0.075182  -0.029124
-    1SOL     H6    6  -0.004893   0.186479  -0.131747
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032031  -0.147696   0.086156
-    0SOL     H2    2   0.043747  -0.108585   0.172732
-    0SOL     H3    3   0.086601  -0.094523   0.028216
-    1SOL     O4    4  -0.030027   0.139827  -0.086475
-    1SOL     H5    5  -0.050566   0.213741  -0.143722
-    1SOL     H6    6  -0.115255   0.108608  -0.056079
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018705   0.173093  -0.003093
-    0SOL     H2    2  -0.048217   0.106371  -0.065057
-    0SOL     H3    3  -0.099258   0.214909   0.027319
-    1SOL     O4    4   0.025965  -0.167248  -0.000422
-    1SOL     H5    5  -0.046960  -0.222584   0.027543
-    1SOL     H6    6   0.094765  -0.183831   0.064028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.165842   0.060479  -0.019958
-    0SOL     H2    2   0.086848   0.039098  -0.069608
-    0SOL     H3    3   0.237923   0.031719  -0.075989
-    1SOL     O4    4  -0.163106  -0.055746   0.032084
-    1SOL     H5    5  -0.235390  -0.114674   0.010523
-    1SOL     H6    6  -0.129465  -0.026977  -0.052786
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094476  -0.149361   0.049531
-    0SOL     H2    2   0.035167  -0.108123  -0.013271
-    0SOL     H3    3   0.055068  -0.131661   0.134948
-    1SOL     O4    4  -0.085491   0.144717  -0.046345
-    1SOL     H5    5  -0.071630   0.204873  -0.119499
-    1SOL     H6    6  -0.176315   0.116001  -0.055766
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135299   0.100631  -0.064025
-    0SOL     H2    2   0.131466   0.009440  -0.035183
-    0SOL     H3    3   0.219940   0.108337  -0.108058
-    1SOL     O4    4  -0.134970  -0.097155   0.060118
-    1SOL     H5    5  -0.137003  -0.124724   0.151759
-    1SOL     H6    6  -0.215311  -0.046426   0.048530
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085689   0.104598   0.125486
-    0SOL     H2    2   0.041331   0.182306   0.091485
-    0SOL     H3    3   0.071862   0.108550   0.220119
-    1SOL     O4    4  -0.081605  -0.110199  -0.135025
-    1SOL     H5    5  -0.028719  -0.134400  -0.059000
-    1SOL     H6    6  -0.154723  -0.060369  -0.098514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019079   0.119178  -0.145396
-    0SOL     H2    2  -0.032856   0.054302  -0.214415
-    0SOL     H3    3  -0.099984   0.117379  -0.094274
-    1SOL     O4    4   0.024514  -0.112399   0.152487
-    1SOL     H5    5  -0.006995  -0.199531   0.128458
-    1SOL     H6    6   0.057049  -0.075194   0.070514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031554  -0.105841   0.158996
-    0SOL     H2    2   0.043221  -0.163618   0.143737
-    0SOL     H3    3  -0.031221  -0.045934   0.084341
-    1SOL     O4    4   0.028558   0.100215  -0.151111
-    1SOL     H5    5   0.009132   0.184330  -0.109764
-    1SOL     H6    6   0.027707   0.118856  -0.244994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115338   0.153308   0.034223
-    0SOL     H2    2  -0.160859   0.096204   0.096104
-    0SOL     H3    3  -0.052654   0.095887  -0.009776
-    1SOL     O4    4   0.109293  -0.150785  -0.033369
-    1SOL     H5    5   0.141930  -0.073247   0.012293
-    1SOL     H6    6   0.170335  -0.163316  -0.106027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085191   0.042047  -0.169912
-    0SOL     H2    2   0.091015   0.038848  -0.265401
-    0SOL     H3    3   0.118207  -0.043018  -0.140992
-    1SOL     O4    4  -0.089519  -0.035199   0.180447
-    1SOL     H5    5  -0.011312  -0.084119   0.154895
-    1SOL     H6    6  -0.134345  -0.016789   0.097900
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014843   0.116167  -0.180042
-    0SOL     H2    2  -0.063638   0.040925  -0.146575
-    0SOL     H3    3   0.044824   0.079085  -0.245058
-    1SOL     O4    4   0.017221  -0.106326   0.175851
-    1SOL     H5    5  -0.035443  -0.060522   0.241355
-    1SOL     H6    6   0.023778  -0.195978   0.208743
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022619   0.085303  -0.187837
-    0SOL     H2    2  -0.015108   0.088112  -0.283220
-    0SOL     H3    3  -0.099485   0.138870  -0.168228
-    1SOL     O4    4   0.029154  -0.085415   0.186644
-    1SOL     H5    5  -0.041008  -0.059455   0.246357
-    1SOL     H6    6   0.063530  -0.166623   0.223870
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049401   0.045247  -0.217246
-    0SOL     H2    2  -0.077056   0.013353  -0.131338
-    0SOL     H3    3   0.033065  -0.000249  -0.234330
-    1SOL     O4    4   0.045397  -0.046914   0.213631
-    1SOL     H5    5   0.001139   0.014227   0.154764
-    1SOL     H6    6   0.105252   0.007802   0.264483
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048515   0.133818   0.168966
-    0SOL     H2    2  -0.020236   0.149538   0.259052
-    0SOL     H3    3  -0.076154   0.042179   0.168135
-    1SOL     O4    4   0.042596  -0.130703  -0.176406
-    1SOL     H5    5   0.082127  -0.157266  -0.093376
-    1SOL     H6    6   0.112935  -0.085647  -0.223148
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062492  -0.168450  -0.141406
-    0SOL     H2    2  -0.081537  -0.078293  -0.115497
-    0SOL     H3    3  -0.053976  -0.215896  -0.058709
-    1SOL     O4    4   0.069274   0.164051   0.134787
-    1SOL     H5    5  -0.009123   0.110802   0.121340
-    1SOL     H6    6   0.036015   0.252843   0.147907
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106231  -0.183879  -0.094759
-    0SOL     H2    2   0.197288  -0.183298  -0.065252
-    0SOL     H3    3   0.055181  -0.196762  -0.014820
-    1SOL     O4    4  -0.113121   0.188029   0.085252
-    1SOL     H5    5  -0.052704   0.218713   0.152858
-    1SOL     H6    6  -0.091691   0.095400   0.074163
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022299   0.208237   0.122466
-    0SOL     H2    2   0.048786   0.145660   0.108563
-    0SOL     H3    3  -0.050895   0.192472   0.212444
-    1SOL     O4    4   0.024721  -0.208949  -0.125780
-    1SOL     H5    5  -0.064098  -0.209179  -0.090094
-    1SOL     H6    6   0.032324  -0.124759  -0.170687
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086159   0.033481  -0.228642
-    0SOL     H2    2  -0.050684   0.016410  -0.315891
-    0SOL     H3    3  -0.033920   0.106453  -0.195350
-    1SOL     O4    4   0.080693  -0.043221   0.230279
-    1SOL     H5    5   0.117472  -0.001344   0.308099
-    1SOL     H6    6   0.049520   0.029475   0.176373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135156  -0.192093  -0.060662
-    0SOL     H2    2  -0.158384  -0.284921  -0.063050
-    0SOL     H3    3  -0.195314  -0.150702  -0.122550
-    1SOL     O4    4   0.138851   0.193800   0.057482
-    1SOL     H5    5   0.217882   0.179196   0.109474
-    1SOL     H6    6   0.077551   0.235331   0.118144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.210157   0.033435   0.133677
-    0SOL     H2    2   0.136597   0.073728   0.087549
-    0SOL     H3    3   0.242946   0.102383   0.191413
-    1SOL     O4    4  -0.204207  -0.041945  -0.139036
-    1SOL     H5    5  -0.204643   0.044893  -0.098771
-    1SOL     H6    6  -0.269269  -0.091695  -0.089496
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068948  -0.185635  -0.170671
-    0SOL     H2    2   0.056826  -0.097510  -0.135324
-    0SOL     H3    3   0.086351  -0.171956  -0.263796
-    1SOL     O4    4  -0.070428   0.177214   0.180923
-    1SOL     H5    5  -0.041862   0.126198   0.105136
-    1SOL     H6    6  -0.080506   0.266323   0.147451
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016898  -0.013125   0.277072
-    0SOL     H2    2   0.021233   0.016396   0.186121
-    0SOL     H3    3   0.039456   0.064355   0.328553
-    1SOL     O4    4  -0.018909   0.001821  -0.272857
-    1SOL     H5    5  -0.090230   0.061901  -0.294442
-    1SOL     H6    6   0.060709   0.050229  -0.294767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017968   0.195054   0.254639
-    0SOL     H2    2  -0.075440   0.209116   0.239161
-    0SOL     H3    3   0.044411   0.268429   0.310130
-    1SOL     O4    4  -0.014887  -0.203718  -0.260672
-    1SOL     H5    5  -0.043071  -0.112556  -0.268253
-    1SOL     H6    6   0.023493  -0.209775  -0.173193
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036608   0.215289   0.243485
-    0SOL     H2    2   0.031236   0.221040   0.338881
-    0SOL     H3    3  -0.021393   0.142689   0.220515
-    1SOL     O4    4  -0.031664  -0.211340  -0.240800
-    1SOL     H5    5  -0.010949  -0.276266  -0.308015
-    1SOL     H6    6  -0.080132  -0.143199  -0.287383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.081658  -0.234012  -0.229015
-    0SOL     H2    2  -0.134389  -0.158524  -0.255155
-    0SOL     H3    3   0.008824  -0.203430  -0.235340
-    1SOL     O4    4   0.079621   0.225289   0.224960
-    1SOL     H5    5   0.151894   0.219959   0.287495
-    1SOL     H6    6   0.016280   0.283864   0.266423
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056184   0.330175   0.073356
-    0SOL     H2    2   0.065365   0.398001   0.006441
-    0SOL     H3    3  -0.037276   0.329338   0.094015
-    1SOL     O4    4  -0.052752  -0.329103  -0.066925
-    1SOL     H5    5  -0.057295  -0.333915  -0.162416
-    1SOL     H6    6  -0.023785  -0.416226  -0.039856
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028076  -0.006616   0.391353
-    0SOL     H2    2  -0.097910   0.014140   0.329266
-    0SOL     H3    3   0.051607  -0.007801   0.338330
-    1SOL     O4    4   0.029371   0.000012  -0.387989
-    1SOL     H5    5  -0.031010   0.003062  -0.313779
-    1SOL     H6    6   0.056705   0.090897  -0.400439
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029187  -0.382048  -0.056335
-    0SOL     H2    2   0.076558  -0.456237  -0.018728
-    0SOL     H3    3   0.076439  -0.361849  -0.137091
-    1SOL     O4    4  -0.037928   0.389611   0.054834
-    1SOL     H5    5   0.024620   0.408509   0.124783
-    1SOL     H6    6  -0.040831   0.294038   0.050410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118206   0.329033   0.194441
-    0SOL     H2    2  -0.065479   0.399713   0.157203
-    0SOL     H3    3  -0.133414   0.269296   0.121212
-    1SOL     O4    4   0.112636  -0.329316  -0.182593
-    1SOL     H5    5   0.150085  -0.409448  -0.219181
-    1SOL     H6    6   0.135294  -0.261166  -0.245874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036121  -0.412528   0.286863
-    0SOL     H2    2  -0.090407  -0.378221   0.357845
-    0SOL     H3    3  -0.004069  -0.496560   0.319628
-    1SOL     O4    4   0.032907   0.412332  -0.296398
-    1SOL     H5    5   0.124373   0.387964  -0.282166
-    1SOL     H6    6   0.023133   0.496221  -0.251348
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.447058   0.342263  -0.151552
-    0SOL     H2    2   0.521255   0.297672  -0.110702
-    0SOL     H3    3   0.421435   0.284951  -0.223808
-    1SOL     O4    4  -0.455074  -0.340677   0.154792
-    1SOL     H5    5  -0.363343  -0.353247   0.179079
-    1SOL     H6    6  -0.455844  -0.258555   0.105621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.629957  -0.451823   0.094974
-    0SOL     H2    2   0.580304  -0.373475   0.071340
-    0SOL     H3    3   0.570577  -0.524479   0.076064
-    1SOL     O4    4  -0.627740   0.446980  -0.093667
-    1SOL     H5    5  -0.532701   0.452394  -0.103688
-    1SOL     H6    6  -0.653638   0.533907  -0.063084
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.716251  -0.515583   0.212285
-    0SOL     H2    2  -0.639325  -0.542433   0.162048
-    0SOL     H3    3  -0.680409  -0.471954   0.289578
-    1SOL     O4    4   0.713866   0.521052  -0.212071
-    1SOL     H5    5   0.745410   0.434109  -0.187408
-    1SOL     H6    6   0.635750   0.504188  -0.264757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003144  -0.047778   0.108406
-    0SOL     H2    2   0.098840  -0.049915   0.108227
-    0SOL     H3    3  -0.022869  -0.138888   0.121991
-    1SOL     O4    4  -0.011238   0.054715  -0.114577
-    1SOL     H5    5  -0.036746   0.016823  -0.030459
-    1SOL     H6    6   0.082726   0.070884  -0.106110
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070183   0.013623   0.102947
-    0SOL     H2    2  -0.027089   0.023452   0.187850
-    0SOL     H3    3  -0.157558  -0.019279   0.124048
-    1SOL     O4    4   0.070106  -0.016781  -0.112776
-    1SOL     H5    5   0.043771   0.015954  -0.026769
-    1SOL     H6    6   0.146206   0.036268  -0.136375
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019914   0.098886   0.093781
-    0SOL     H2    2  -0.013297   0.059216   0.174315
-    0SOL     H3    3   0.018417   0.027845   0.029646
-    1SOL     O4    4  -0.020275  -0.093462  -0.088434
-    1SOL     H5    5  -0.053397  -0.035366  -0.156919
-    1SOL     H6    6   0.057046  -0.134532  -0.127127
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097359  -0.071697   0.047487
-    0SOL     H2    2   0.168342  -0.031210  -0.002359
-    0SOL     H3    3   0.110217  -0.165784   0.035461
-    1SOL     O4    4  -0.103898   0.077623  -0.049766
-    1SOL     H5    5  -0.026871   0.025385  -0.027396
-    1SOL     H6    6  -0.154225   0.082202   0.031527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071426  -0.111944   0.036137
-    0SOL     H2    2  -0.133072  -0.116793   0.109203
-    0SOL     H3    3  -0.052097  -0.018622   0.027200
-    1SOL     O4    4   0.074743   0.101111  -0.036602
-    1SOL     H5    5   0.051917   0.117285  -0.128142
-    1SOL     H6    6   0.079270   0.188245   0.002760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009147  -0.116857   0.060364
-    0SOL     H2    2  -0.008365  -0.195939   0.009357
-    0SOL     H3    3   0.103294  -0.119659   0.077421
-    1SOL     O4    4  -0.008072   0.123318  -0.061295
-    1SOL     H5    5  -0.027591   0.039203  -0.019993
-    1SOL     H6    6  -0.088129   0.174618  -0.050272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000179   0.130568   0.003504
-    0SOL     H2    2  -0.092163   0.156203   0.010151
-    0SOL     H3    3   0.046540   0.194719   0.057023
-    1SOL     O4    4  -0.004455  -0.138090  -0.007370
-    1SOL     H5    5   0.074191  -0.190652   0.007272
-    1SOL     H6    6   0.027960  -0.048524  -0.016839
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055124   0.051406  -0.108311
-    0SOL     H2    2   0.091873   0.124360  -0.058415
-    0SOL     H3    3   0.125400   0.025191  -0.167778
-    1SOL     O4    4  -0.063955  -0.060867   0.110446
-    1SOL     H5    5  -0.012575  -0.029623   0.035972
-    1SOL     H6    6  -0.078861   0.017218   0.163765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067783   0.001025   0.120780
-    0SOL     H2    2  -0.024783  -0.084430   0.124049
-    0SOL     H3    3  -0.136363  -0.009127   0.054780
-    1SOL     O4    4   0.069573   0.009781  -0.120412
-    1SOL     H5    5   0.039654  -0.002915  -0.030379
-    1SOL     H6    6   0.093871  -0.077876  -0.150213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080834  -0.042707   0.102913
-    0SOL     H2    2   0.006896  -0.098786   0.126378
-    0SOL     H3    3   0.057469   0.043483   0.137376
-    1SOL     O4    4  -0.077340   0.047373  -0.106661
-    1SOL     H5    5   0.004493   0.017835  -0.066746
-    1SOL     H6    6  -0.118198  -0.032650  -0.139664
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014042  -0.048397  -0.120803
-    0SOL     H2    2   0.016522  -0.011056  -0.203469
-    0SOL     H3    3  -0.008135  -0.143074  -0.133597
-    1SOL     O4    4   0.007656   0.049690   0.131559
-    1SOL     H5    5  -0.004414   0.026047   0.039594
-    1SOL     H6    6   0.088890   0.100303   0.132863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027715  -0.126786   0.030222
-    0SOL     H2    2  -0.040995  -0.187040  -0.042958
-    0SOL     H3    3   0.040322  -0.168165   0.083336
-    1SOL     O4    4   0.019098   0.136261  -0.030644
-    1SOL     H5    5   0.024402   0.059684   0.026541
-    1SOL     H6    6   0.108083   0.147442  -0.064094
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000189   0.091884  -0.106228
-    0SOL     H2    2   0.012889   0.001938  -0.076211
-    0SOL     H3    3  -0.073714   0.086363  -0.167268
-    1SOL     O4    4   0.002096  -0.086389   0.101289
-    1SOL     H5    5   0.049234  -0.155103   0.148392
-    1SOL     H6    6  -0.012274  -0.017987   0.166688
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/13/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2   0.070560   0.005056  -0.178745
-    0SOL     H3    3   0.009330   0.051253  -0.048224
-    1SOL     O4    4  -0.090009  -0.041883   0.096082
-    1SOL     H5    5  -0.046058  -0.046165   0.181007
-    1SOL     H6    6  -0.066453  -0.123895   0.052706
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-    6
-    0SOL     O1    1   0.006351  -0.115664  -0.075078
-    0SOL     H2    2   0.003872  -0.174448   0.000425
-    0SOL     H3    3  -0.085245  -0.106371  -0.101275
-    1SOL     O4    4   0.000642   0.124705   0.070849
-    1SOL     H5    5  -0.012873   0.050406   0.012032
-    1SOL     H6    6  -0.018116   0.089997   0.158060
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-    6
-    0SOL     O1    1  -0.129056   0.036374  -0.023919
-    0SOL     H2    2  -0.108860   0.127753  -0.044029
-    0SOL     H3    3  -0.190007   0.009573  -0.092686
-    1SOL     O4    4   0.133685  -0.046434   0.028824
-    1SOL     H5    5   0.182037   0.036123   0.031775
-    1SOL     H6    6   0.042429  -0.020367   0.016372
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.071959  -0.024805   0.120704
-    0SOL     H2    2   0.033328  -0.030397   0.033304
-    0SOL     H3    3   0.166386  -0.022950   0.105131
-    1SOL     O4    4  -0.072273   0.019920  -0.111694
-    1SOL     H5    5  -0.035518   0.055385  -0.192649
-    1SOL     H6    6  -0.151186   0.071886  -0.096381
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.087900   0.107899  -0.029672
-    0SOL     H2    2  -0.032236   0.048354  -0.079854
-    0SOL     H3    3  -0.173801   0.065674  -0.029078
-    1SOL     O4    4   0.085946  -0.096708   0.031386
-    1SOL     H5    5   0.166231  -0.107408   0.082398
-    1SOL     H6    6   0.069456  -0.183328  -0.005861
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.062316   0.054155   0.104930
-    0SOL     H2    2  -0.070160  -0.008160   0.177164
-    0SOL     H3    3  -0.106315   0.133101   0.136455
-    1SOL     O4    4   0.061676  -0.058111  -0.116359
-    1SOL     H5    5   0.155949  -0.063057  -0.100538
-    1SOL     H6    6   0.028085  -0.004395  -0.044606
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.075591   0.020768   0.122283
-    0SOL     H2    2   0.011259   0.012139   0.051933
-    0SOL     H3    3   0.133222   0.091587   0.093550
-    1SOL     O4    4  -0.072314  -0.021494  -0.111058
-    1SOL     H5    5  -0.065964   0.006398  -0.202404
-    1SOL     H6    6  -0.126414  -0.100413  -0.113768
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.028448   0.139198  -0.022481
-    0SOL     H2    2  -0.026341   0.043823  -0.014639
-    0SOL     H3    3  -0.121561   0.160815  -0.027481
-    1SOL     O4    4   0.033689  -0.128755   0.018293
-    1SOL     H5    5   0.113351  -0.171669   0.049514
-    1SOL     H6    6  -0.037623  -0.182292   0.053089
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.067899  -0.115437  -0.055014
-    0SOL     H2    2  -0.126494  -0.153753   0.010261
-    0SOL     H3    3  -0.014738  -0.052895  -0.005772
-    1SOL     O4    4   0.074686   0.112047   0.046197
-    1SOL     H5    5   0.013248   0.065411   0.102879
-    1SOL     H6    6   0.027753   0.191237   0.019955
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.076349   0.100342  -0.064793
-    0SOL     H2    2  -0.155718   0.095719  -0.011487
-    0SOL     H3    3  -0.080092   0.022393  -0.120220
-    1SOL     O4    4   0.088760  -0.094469   0.063870
-    1SOL     H5    5   0.037333  -0.169407   0.093904
-    1SOL     H6    6   0.023780  -0.026720   0.045161
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039117   0.038894   0.137051
-    0SOL     H2    2   0.025216   0.042059   0.066244
-    0SOL     H3    3  -0.094385  -0.036346   0.115914
-    1SOL     O4    4   0.039301  -0.034914  -0.124357
-    1SOL     H5    5   0.102036  -0.004706  -0.190040
-    1SOL     H6    6  -0.037023  -0.062640  -0.175034
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038255  -0.139154  -0.005854
-    0SOL     H2    2   0.036541  -0.192270   0.073758
-    0SOL     H3    3  -0.008011  -0.058798   0.017908
-    1SOL     O4    4  -0.037629   0.133847   0.005467
-    1SOL     H5    5   0.031846   0.114861  -0.057580
-    1SOL     H6    6  -0.073866   0.217654  -0.023267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063333  -0.080754   0.093714
-    0SOL     H2    2  -0.077353  -0.155610   0.035728
-    0SOL     H3    3  -0.035747  -0.119559   0.176753
-    1SOL     O4    4   0.065877   0.093689  -0.096584
-    1SOL     H5    5   0.062010   0.045307  -0.014082
-    1SOL     H6    6   0.011721   0.042727  -0.156853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072623   0.114493   0.064766
-    0SOL     H2    2  -0.062356   0.075626  -0.022104
-    0SOL     H3    3  -0.001163   0.077158   0.116359
-    1SOL     O4    4   0.063468  -0.105184  -0.064566
-    1SOL     H5    5   0.149631  -0.121340  -0.103003
-    1SOL     H6    6   0.053155  -0.174108   0.001049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065326   0.118312   0.055498
-    0SOL     H2    2   0.141981   0.069775   0.024995
-    0SOL     H3    3   0.041143   0.173970  -0.018527
-    1SOL     O4    4  -0.067773  -0.124219  -0.045981
-    1SOL     H5    5  -0.004827  -0.052195  -0.049528
-    1SOL     H6    6  -0.139867  -0.095875  -0.102206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083762   0.071684  -0.094213
-    0SOL     H2    2  -0.110300   0.007529  -0.028318
-    0SOL     H3    3  -0.137556   0.051194  -0.170689
-    1SOL     O4    4   0.094388  -0.068699   0.095845
-    1SOL     H5    5   0.051094  -0.063791   0.010617
-    1SOL     H6    6   0.029289  -0.035685   0.157769
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056908  -0.057237  -0.115943
-    0SOL     H2    2   0.005415  -0.112322  -0.163313
-    0SOL     H3    3  -0.084568   0.008272  -0.180019
-    1SOL     O4    4   0.060945   0.055831   0.125743
-    1SOL     H5    5  -0.005869   0.121780   0.144426
-    1SOL     H6    6   0.022842   0.002063   0.056321
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024239   0.025066  -0.148682
-    0SOL     H2    2  -0.026279   0.056000  -0.073494
-    0SOL     H3    3   0.079148  -0.045008  -0.113511
-    1SOL     O4    4  -0.022643  -0.017058   0.146253
-    1SOL     H5    5   0.033983  -0.087378   0.114457
-    1SOL     H6    6  -0.109125  -0.038109   0.111040
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027927  -0.120476   0.088765
-    0SOL     H2    2   0.056462  -0.185866   0.024952
-    0SOL     H3    3  -0.002785  -0.046966   0.035704
-    1SOL     O4    4  -0.032450   0.115408  -0.078529
-    1SOL     H5    5  -0.000083   0.108316  -0.168331
-    1SOL     H6    6   0.011789   0.192543  -0.043096
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020901  -0.054644  -0.130709
-    0SOL     H2    2  -0.088114  -0.013736  -0.185218
-    0SOL     H3    3   0.060053  -0.044485  -0.180764
-    1SOL     O4    4   0.020472   0.045968   0.141606
-    1SOL     H5    5   0.011446   0.138592   0.164004
-    1SOL     H6    6   0.025112   0.044737   0.046006
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057526  -0.111128   0.070577
-    0SOL     H2    2   0.103356  -0.158033   0.140304
-    0SOL     H3    3   0.014426  -0.179835   0.019743
-    1SOL     O4    4  -0.058067   0.123955  -0.071955
-    1SOL     H5    5  -0.004463   0.072637  -0.011495
-    1SOL     H6    6  -0.103429   0.058610  -0.125196
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007692   0.026170   0.143575
-    0SOL     H2    2  -0.083391   0.019676   0.172283
-    0SOL     H3    3   0.052030  -0.046183   0.187863
-    1SOL     O4    4  -0.008837  -0.017189  -0.152531
-    1SOL     H5    5   0.016226  -0.108262  -0.168018
-    1SOL     H6    6   0.031156   0.004730  -0.068374
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.125242  -0.088067  -0.016437
-    0SOL     H2    2  -0.106173  -0.161263   0.042224
-    0SOL     H3    3  -0.080849  -0.013199   0.023392
-    1SOL     O4    4   0.115738   0.085347   0.011560
-    1SOL     H5    5   0.158807   0.143535   0.074181
-    1SOL     H6    6   0.179141   0.075360  -0.059451
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.086996  -0.098305  -0.081384
-    0SOL     H2    2  -0.036601  -0.026905  -0.042335
-    0SOL     H3    3  -0.030933  -0.131766  -0.151381
-    1SOL     O4    4   0.080726   0.090415   0.080375
-    1SOL     H5    5   0.009535   0.146870   0.110494
-    1SOL     H6    6   0.160465   0.138805   0.101880
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.061434  -0.104271  -0.094178
-    0SOL     H2    2  -0.015630  -0.034239  -0.140651
-    0SOL     H3    3  -0.147035  -0.067034  -0.073004
-    1SOL     O4    4   0.064987   0.097809   0.088600
-    1SOL     H5    5   0.086769   0.168235   0.149658
-    1SOL     H6    6   0.025949   0.029740   0.143417
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033216   0.039709   0.141648
-    0SOL     H2    2   0.002262   0.128478   0.136781
-    0SOL     H3    3   0.040305  -0.013926   0.171317
-    1SOL     O4    4   0.025433  -0.046265  -0.148138
-    1SOL     H5    5   0.065852   0.040141  -0.156050
-    1SOL     H6    6   0.005113  -0.054817  -0.054991
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.088745   0.099592  -0.078720
-    0SOL     H2    2  -0.022845   0.037549  -0.047573
-    0SOL     H3    3  -0.038868   0.165060  -0.127593
-    1SOL     O4    4   0.085057  -0.097145   0.075091
-    1SOL     H5    5   0.036336  -0.051852   0.143918
-    1SOL     H6    6   0.067397  -0.189983   0.090308
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137989   0.029546  -0.059782
-    0SOL     H2    2  -0.161599   0.111868  -0.102537
-    0SOL     H3    3  -0.058104   0.049831  -0.011108
-    1SOL     O4    4   0.135556  -0.039153   0.053664
-    1SOL     H5    5   0.135179   0.056041   0.063675
-    1SOL     H6    6   0.123735  -0.072677   0.142539
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.037541  -0.131604   0.071718
-    0SOL     H2    2  -0.041472  -0.060136   0.008164
-    0SOL     H3    3  -0.121856  -0.128201   0.116904
-    1SOL     O4    4   0.042228   0.122475  -0.066634
-    1SOL     H5    5   0.012880   0.212161  -0.050590
-    1SOL     H6    6   0.075575   0.123823  -0.156348
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044353   0.041485  -0.136806
-    0SOL     H2    2  -0.118253   0.086106  -0.095453
-    0SOL     H3    3  -0.077685   0.013942  -0.222203
-    1SOL     O4    4   0.049872  -0.044099   0.145915
-    1SOL     H5    5   0.125244  -0.005572   0.101226
-    1SOL     H6    6  -0.016255  -0.053833   0.077396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024908  -0.147336   0.015218
-    0SOL     H2    2   0.016005  -0.206828   0.089674
-    0SOL     H3    3   0.114955  -0.159742  -0.014780
-    1SOL     O4    4  -0.027924   0.158035  -0.016882
-    1SOL     H5    5  -0.080043   0.121542  -0.088395
-    1SOL     H6    6  -0.007394   0.082827   0.038657
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042955   0.144002   0.016762
-    0SOL     H2    2  -0.099534   0.221090   0.021071
-    0SOL     H3    3   0.042386   0.175154   0.046909
-    1SOL     O4    4   0.045662  -0.155361  -0.021840
-    1SOL     H5    5  -0.019611  -0.099312  -0.063796
-    1SOL     H6    6   0.041083  -0.132233   0.070931
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119206  -0.075608   0.055612
-    0SOL     H2    2   0.203305  -0.095046   0.096987
-    0SOL     H3    3   0.077644  -0.161102   0.044405
-    1SOL     O4    4  -0.123426   0.087627  -0.055539
-    1SOL     H5    5  -0.036056   0.048856  -0.050481
-    1SOL     H6    6  -0.178249   0.018490  -0.092646
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161075  -0.005216   0.030594
-    0SOL     H2    2  -0.092414  -0.051058   0.079034
-    0SOL     H3    3  -0.138433   0.087428   0.038752
-    1SOL     O4    4   0.152241  -0.003441  -0.031881
-    1SOL     H5    5   0.109891   0.079282  -0.054809
-    1SOL     H6    6   0.245619   0.012932  -0.045099
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048037   0.010462   0.155987
-    0SOL     H2    2  -0.013631  -0.013840   0.070033
-    0SOL     H3    3   0.007670  -0.036283   0.218228
-    1SOL     O4    4   0.041619  -0.004006  -0.148831
-    1SOL     H5    5  -0.015078  -0.047012  -0.212847
-    1SOL     H6    6   0.129200  -0.009053  -0.187124
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003561   0.046930   0.153030
-    0SOL     H2    2   0.060405  -0.027826   0.171541
-    0SOL     H3    3  -0.077920   0.027133   0.199195
-    1SOL     O4    4  -0.006722  -0.040614  -0.161592
-    1SOL     H5    5   0.079223   0.001524  -0.161151
-    1SOL     H6    6  -0.008717  -0.091904  -0.080798
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133074  -0.090493   0.048228
-    0SOL     H2    2   0.101751  -0.038518   0.122253
-    0SOL     H3    3   0.055386  -0.104352  -0.005946
-    1SOL     O4    4  -0.123372   0.083387  -0.050175
-    1SOL     H5    5  -0.161717   0.136820  -0.119723
-    1SOL     H6    6  -0.157699   0.121160   0.030801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017987   0.109767   0.113844
-    0SOL     H2    2  -0.047728   0.184699   0.062240
-    0SOL     H3    3   0.048317   0.145928   0.172653
-    1SOL     O4    4   0.013085  -0.120484  -0.118512
-    1SOL     H5    5  -0.031074  -0.076026  -0.046154
-    1SOL     H6    6   0.103019  -0.087857  -0.115420
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126150   0.074726  -0.070054
-    0SOL     H2    2   0.198365   0.044368  -0.015047
-    0SOL     H3    3   0.100612   0.158729  -0.031928
-    1SOL     O4    4  -0.129697  -0.083721   0.067576
-    1SOL     H5    5  -0.051334  -0.043412   0.030203
-    1SOL     H6    6  -0.200213  -0.022156   0.047587
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097895   0.098107  -0.083088
-    0SOL     H2    2  -0.167211   0.159552  -0.058959
-    0SOL     H3    3  -0.017697   0.150314  -0.080848
-    1SOL     O4    4   0.102392  -0.103760   0.086222
-    1SOL     H5    5   0.095552  -0.162318   0.010814
-    1SOL     H6    6   0.022846  -0.050638   0.082649
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079803   0.113358  -0.099336
-    0SOL     H2    2  -0.155376   0.065874  -0.133924
-    0SOL     H3    3  -0.013470   0.045825  -0.085144
-    1SOL     O4    4   0.076087  -0.111010   0.098021
-    1SOL     H5    5   0.170897  -0.106573   0.085627
-    1SOL     H6    6   0.056086  -0.037940   0.156527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000617  -0.077974  -0.145852
-    0SOL     H2    2  -0.066017  -0.110728  -0.085442
-    0SOL     H3    3   0.020502  -0.152597  -0.202405
-    1SOL     O4    4  -0.000155   0.085220   0.151942
-    1SOL     H5    5  -0.005948   0.141199   0.074514
-    1SOL     H6    6   0.045790   0.006932   0.121573
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061696   0.161079   0.012971
-    0SOL     H2    2  -0.043936   0.231790  -0.049052
-    0SOL     H3    3   0.007009   0.096587  -0.003844
-    1SOL     O4    4   0.054381  -0.157837  -0.003488
-    1SOL     H5    5   0.144112  -0.152678  -0.036412
-    1SOL     H6    6   0.013436  -0.226544  -0.056073
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115264  -0.060419   0.116123
-    0SOL     H2    2  -0.073541  -0.075528   0.031310
-    0SOL     H3    3  -0.093703  -0.138145   0.167661
-    1SOL     O4    4   0.111827   0.061793  -0.120211
-    1SOL     H5    5   0.159946   0.047190  -0.038764
-    1SOL     H6    6   0.060957   0.141263  -0.104112
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004572  -0.102709   0.146441
-    0SOL     H2    2  -0.049204  -0.075104   0.220660
-    0SOL     H3    3  -0.018240  -0.041725   0.076278
-    1SOL     O4    4   0.002003   0.092593  -0.144161
-    1SOL     H5    5   0.004203   0.179219  -0.103500
-    1SOL     H6    6  -0.043105   0.106320  -0.227462
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.096391   0.094066  -0.111734
-    0SOL     H2    2   0.169769   0.117459  -0.168574
-    0SOL     H3    3   0.046162   0.030267  -0.162419
-    1SOL     O4    4  -0.100881  -0.096520   0.114949
-    1SOL     H5    5  -0.133538  -0.024403   0.168754
-    1SOL     H6    6  -0.006378  -0.082058   0.110230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072209   0.094316   0.133478
-    0SOL     H2    2  -0.131133   0.051867   0.071121
-    0SOL     H3    3  -0.096887   0.057841   0.218466
-    1SOL     O4    4   0.077830  -0.093566  -0.130298
-    1SOL     H5    5   0.025661  -0.105247  -0.209697
-    1SOL     H6    6   0.116500  -0.006499  -0.139584
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036253   0.059471  -0.163591
-    0SOL     H2    2   0.006939   0.071259  -0.253946
-    0SOL     H3    3   0.061976   0.147149  -0.135074
-    1SOL     O4    4  -0.029026  -0.065441   0.165930
-    1SOL     H5    5  -0.087922  -0.023775   0.103020
-    1SOL     H6    6  -0.085933  -0.091871   0.238217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.008310  -0.149701  -0.104017
-    0SOL     H2    2  -0.086519  -0.204232  -0.095528
-    0SOL     H3    3   0.009579  -0.147867  -0.198032
-    1SOL     O4    4   0.013975   0.159145   0.107197
-    1SOL     H5    5   0.028760   0.118051   0.192373
-    1SOL     H6    6  -0.034190   0.093472   0.056903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019005  -0.180860   0.052458
-    0SOL     H2    2   0.023231  -0.147052  -0.026507
-    0SOL     H3    3   0.039177  -0.250532   0.082839
-    1SOL     O4    4   0.007611   0.185886  -0.048867
-    1SOL     H5    5   0.017243   0.090652  -0.048729
-    1SOL     H6    6   0.096619   0.218992  -0.060862
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049295  -0.134094  -0.115004
-    0SOL     H2    2   0.024885  -0.194195  -0.121892
-    0SOL     H3    3  -0.124184  -0.184692  -0.146528
-    1SOL     O4    4   0.048809   0.147831   0.119857
-    1SOL     H5    5  -0.001344   0.070388   0.145345
-    1SOL     H6    6   0.109593   0.116140   0.053049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076728  -0.176324   0.034000
-    0SOL     H2    2  -0.083745  -0.267895   0.060980
-    0SOL     H3    3  -0.147811  -0.132113   0.080420
-    1SOL     O4    4   0.080524   0.185737  -0.036599
-    1SOL     H5    5   0.115240   0.113203   0.015322
-    1SOL     H6    6   0.054103   0.145529  -0.119348
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096740   0.154877   0.075116
-    0SOL     H2    2  -0.074882   0.245564   0.053658
-    0SOL     H3    3  -0.191942   0.154848   0.085066
-    1SOL     O4    4   0.097287  -0.157071  -0.079175
-    1SOL     H5    5   0.086839  -0.247467  -0.049480
-    1SOL     H6    6   0.166838  -0.121522  -0.023847
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.177647  -0.005788   0.113491
-    0SOL     H2    2  -0.230037   0.068067   0.144523
-    0SOL     H3    3  -0.102162  -0.008058   0.172305
-    1SOL     O4    4   0.182299   0.003310  -0.117048
-    1SOL     H5    5   0.144909  -0.081563  -0.140729
-    1SOL     H6    6   0.108660   0.064247  -0.122177
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.081541   0.203832  -0.075570
-    0SOL     H2    2   0.005980   0.160415  -0.035973
-    0SOL     H3    3   0.124136   0.135458  -0.127271
-    1SOL     O4    4  -0.077811  -0.190811   0.076655
-    1SOL     H5    5  -0.079481  -0.249656   0.001179
-    1SOL     H6    6  -0.109630  -0.244222   0.149437
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037620   0.223230   0.065668
-    0SOL     H2    2  -0.056382   0.308669   0.026802
-    0SOL     H3    3   0.042150   0.193846   0.021671
-    1SOL     O4    4   0.031228  -0.232309  -0.057997
-    1SOL     H5    5   0.078629  -0.229492  -0.141109
-    1SOL     H6    6   0.033678  -0.142162  -0.025906
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.103035   0.227851  -0.046676
-    0SOL     H2    2   0.050008   0.202047   0.028720
-    0SOL     H3    3   0.073932   0.170214  -0.117339
-    1SOL     O4    4  -0.093759  -0.228577   0.046264
-    1SOL     H5    5  -0.080234  -0.137420   0.072147
-    1SOL     H6    6  -0.187546  -0.234713   0.028131
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080480  -0.178131  -0.153628
-    0SOL     H2    2   0.108872  -0.269151  -0.145176
-    0SOL     H3    3   0.001803  -0.182482  -0.207972
-    1SOL     O4    4  -0.079402   0.189161   0.153001
-    1SOL     H5    5  -0.054051   0.104444   0.116359
-    1SOL     H6    6  -0.075390   0.176479   0.247792
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046273  -0.140687  -0.219496
-    0SOL     H2    2  -0.019900  -0.117614  -0.130421
-    0SOL     H3    3   0.032275  -0.126287  -0.272271
-    1SOL     O4    4   0.035601   0.135730   0.221030
-    1SOL     H5    5   0.075229   0.220711   0.240271
-    1SOL     H6    6   0.084354   0.103089   0.145398
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046898   0.213389   0.155183
-    0SOL     H2    2   0.004723   0.130817   0.131404
-    0SOL     H3    3   0.001988   0.279366   0.102340
-    1SOL     O4    4  -0.042383  -0.206485  -0.147285
-    1SOL     H5    5  -0.077880  -0.292381  -0.124393
-    1SOL     H6    6   0.006462  -0.221497  -0.228224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096880  -0.120069   0.222165
-    0SOL     H2    2  -0.003099  -0.133076   0.236245
-    0SOL     H3    3  -0.118703  -0.178979   0.149945
-    1SOL     O4    4   0.093088   0.117559  -0.217799
-    1SOL     H5    5   0.164908   0.180412  -0.225121
-    1SOL     H6    6   0.014025   0.169763  -0.231441
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.129178  -0.233123   0.054877
-    0SOL     H2    2  -0.107284  -0.316450   0.096586
-    0SOL     H3    3  -0.167730  -0.257769  -0.029198
-    1SOL     O4    4   0.129903   0.232650  -0.056480
-    1SOL     H5    5   0.138107   0.322592  -0.088188
-    1SOL     H6    6   0.123634   0.241217   0.038649
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046903   0.188346  -0.204513
-    0SOL     H2    2   0.030656   0.233802  -0.121857
-    0SOL     H3    3   0.026043   0.252990  -0.271955
-    1SOL     O4    4  -0.049883  -0.195915   0.199388
-    1SOL     H5    5  -0.038944  -0.216623   0.292199
-    1SOL     H6    6   0.026971  -0.143295   0.177320
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.191275  -0.199327  -0.106381
-    0SOL     H2    2  -0.177312  -0.260996  -0.034518
-    0SOL     H3    3  -0.187810  -0.113081  -0.065007
-    1SOL     O4    4   0.187994   0.192727   0.099571
-    1SOL     H5    5   0.167294   0.270462   0.047696
-    1SOL     H6    6   0.254534   0.222343   0.161681
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072332  -0.143085   0.243521
-    0SOL     H2    2  -0.055576  -0.074856   0.308531
-    0SOL     H3    3  -0.166512  -0.159164   0.249334
-    1SOL     O4    4   0.071053   0.137776  -0.245872
-    1SOL     H5    5   0.145295   0.092783  -0.286197
-    1SOL     H6    6   0.100528   0.228265  -0.235605
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.184770  -0.232361   0.043656
-    0SOL     H2    2  -0.242961  -0.254821  -0.028951
-    0SOL     H3    3  -0.124933  -0.306773   0.050356
-    1SOL     O4    4   0.183342   0.231753  -0.037011
-    1SOL     H5    5   0.152390   0.315183  -0.001744
-    1SOL     H6    6   0.236610   0.255998  -0.112754
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002793   0.200809  -0.235917
-    0SOL     H2    2   0.043399   0.259487  -0.176038
-    0SOL     H3    3   0.022587   0.112923  -0.207736
-    1SOL     O4    4  -0.000339  -0.194281   0.235201
-    1SOL     H5    5   0.035726  -0.282447   0.244602
-    1SOL     H6    6  -0.049463  -0.197075   0.153096
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042950   0.183073   0.243554
-    0SOL     H2    2   0.009033   0.230035   0.308782
-    0SOL     H3    3   0.017940   0.119901   0.205292
-    1SOL     O4    4   0.032980  -0.184409  -0.240593
-    1SOL     H5    5   0.034748  -0.202556  -0.334561
-    1SOL     H6    6   0.110359  -0.130220  -0.225157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.194401   0.246892   0.066380
-    0SOL     H2    2   0.289696   0.254616   0.061731
-    0SOL     H3    3   0.167925   0.222717  -0.022372
-    1SOL     O4    4  -0.199020  -0.251686  -0.059509
-    1SOL     H5    5  -0.140685  -0.217988  -0.127507
-    1SOL     H6    6  -0.240345  -0.173671  -0.022518
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004183  -0.386290   0.065280
-    0SOL     H2    2   0.079194  -0.363667   0.024065
-    0SOL     H3    3  -0.058379  -0.308163   0.054262
-    1SOL     O4    4   0.003631   0.385549  -0.065956
-    1SOL     H5    5  -0.080447   0.344628  -0.045497
-    1SOL     H6    6   0.068280   0.331634  -0.020394
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056493   0.325855   0.224566
-    0SOL     H2    2   0.087256   0.259300   0.163032
-    0SOL     H3    3   0.004387   0.385740   0.171077
-    1SOL     O4    4  -0.058444  -0.324699  -0.224568
-    1SOL     H5    5  -0.030991  -0.255491  -0.164410
-    1SOL     H6    6  -0.034012  -0.406008  -0.180362
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046909  -0.220131   0.560563
-    0SOL     H2    2  -0.122362  -0.161345   0.556905
-    0SOL     H3    3   0.028781  -0.161749   0.565545
-    1SOL     O4    4   0.046411   0.220048  -0.559263
-    1SOL     H5    5   0.007716   0.174262  -0.633887
-    1SOL     H6    6   0.093804   0.152074  -0.511349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.385584   0.698396   0.151290
-    0SOL     H2    2   0.328561   0.751227   0.095436
-    0SOL     H3    3   0.474012   0.728914   0.131004
-    1SOL     O4    4  -0.385200  -0.701029  -0.153279
-    1SOL     H5    5  -0.352296  -0.769179  -0.094668
-    1SOL     H6    6  -0.457008  -0.660315  -0.104821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.591245   0.398914  -0.503426
-    0SOL     H2    2  -0.588371   0.494590  -0.503952
-    0SOL     H3    3  -0.620179   0.375289  -0.591556
-    1SOL     O4    4   0.591060  -0.396744   0.509783
-    1SOL     H5    5   0.676417  -0.428827   0.480672
-    1SOL     H6    6   0.536954  -0.475399   0.516729
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.843325   0.203570  -0.174911
-    0SOL     H2    2  -0.760937   0.249259  -0.157968
-    0SOL     H3    3  -0.889834   0.206149  -0.091289
-    1SOL     O4    4   0.842086  -0.205049   0.176108
-    1SOL     H5    5   0.763035  -0.222961   0.125192
-    1SOL     H6    6   0.912877  -0.206108   0.111688
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.696735  -0.406623   0.574179
-    0SOL     H2    2   0.763810  -0.415944   0.641828
-    0SOL     H3    3   0.666603  -0.495985   0.557785
-    1SOL     O4    4  -0.698298   0.413917  -0.570068
-    1SOL     H5    5  -0.683307   0.326043  -0.604936
-    1SOL     H6    6  -0.718745   0.467091  -0.646989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -1.217877  -0.199263  -0.543652
-    0SOL     H2    2  -1.263366  -0.207264  -0.459812
-    0SOL     H3    3  -1.140323  -0.254575  -0.534251
-    1SOL     O4    4   1.213932   0.203303   0.544604
-    1SOL     H5    5   1.181666   0.251341   0.468358
-    1SOL     H6    6   1.283203   0.147048   0.509975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.087864  -0.078409  -0.050366
-    0SOL     H2    2  -0.005394  -0.033318  -0.032260
-    0SOL     H3    3  -0.073483  -0.167953  -0.019749
-    1SOL     O4    4   0.084541   0.075316   0.048147
-    1SOL     H5    5   0.091240   0.133857  -0.027287
-    1SOL     H6    6   0.033117   0.124478   0.112186
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111461   0.067256  -0.001655
-    0SOL     H2    2  -0.187666   0.019844   0.031620
-    0SOL     H3    3  -0.037071   0.010707   0.019097
-    1SOL     O4    4   0.107042  -0.057999   0.002322
-    1SOL     H5    5   0.201282  -0.043239  -0.005628
-    1SOL     H6    6   0.092308  -0.142468  -0.040224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041329   0.097889   0.084040
-    0SOL     H2    2  -0.007796   0.058027   0.164345
-    0SOL     H3    3  -0.012907   0.038852   0.014261
-    1SOL     O4    4   0.035113  -0.088567  -0.080475
-    1SOL     H5    5   0.065627  -0.065902  -0.168324
-    1SOL     H6    6   0.053157  -0.182208  -0.072218
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117230  -0.041312  -0.054303
-    0SOL     H2    2   0.186756  -0.038676   0.011436
-    0SOL     H3    3   0.036660  -0.027142  -0.004604
-    1SOL     O4    4  -0.115086   0.035284   0.044658
-    1SOL     H5    5  -0.072932   0.121214   0.043497
-    1SOL     H6    6  -0.188680   0.045469   0.105010
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100108   0.032624   0.088633
-    0SOL     H2    2  -0.019155   0.000794   0.048687
-    0SOL     H3    3  -0.169718  -0.013394   0.041739
-    1SOL     O4    4   0.100203  -0.034247  -0.080916
-    1SOL     H5    5   0.081565  -0.012159  -0.172169
-    1SOL     H6    6   0.115257   0.050172  -0.038383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047623   0.015511  -0.127655
-    0SOL     H2    2  -0.025638   0.035251  -0.186011
-    0SOL     H3    3   0.006466  -0.017478  -0.047780
-    1SOL     O4    4  -0.043876  -0.019327   0.122365
-    1SOL     H5    5  -0.060395   0.074531   0.131320
-    1SOL     H6    6   0.023549  -0.038163   0.187645
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083690   0.025997   0.106371
-    0SOL     H2    2  -0.023957   0.023751   0.031610
-    0SOL     H3    3  -0.121782   0.113780   0.104025
-    1SOL     O4    4   0.084760  -0.025155  -0.099418
-    1SOL     H5    5   0.023761  -0.038423  -0.171981
-    1SOL     H6    6   0.108667  -0.113596  -0.071687
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093575  -0.063713   0.062833
-    0SOL     H2    2  -0.123144  -0.029625   0.147249
-    0SOL     H3    3  -0.171873  -0.102678   0.023929
-    1SOL     O4    4   0.106589   0.062169  -0.065777
-    1SOL     H5    5   0.029825   0.011550  -0.039180
-    1SOL     H6    6   0.071451   0.147525  -0.091115
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031334   0.124678   0.022125
-    0SOL     H2    2  -0.003422   0.203777   0.063329
-    0SOL     H3    3   0.044302   0.149074  -0.069521
-    1SOL     O4    4  -0.033999  -0.132109  -0.024125
-    1SOL     H5    5   0.015801  -0.195828   0.027082
-    1SOL     H6    6  -0.011758  -0.047484   0.014686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061386  -0.110743  -0.052185
-    0SOL     H2    2   0.030891  -0.136178  -0.052684
-    0SOL     H3    3  -0.090953  -0.129443   0.036913
-    1SOL     O4    4   0.053710   0.117534   0.049542
-    1SOL     H5    5   0.148415   0.127479   0.039834
-    1SOL     H6    6   0.035138   0.030068   0.015379
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042815  -0.107510  -0.077420
-    0SOL     H2    2   0.085335  -0.174413  -0.023771
-    0SOL     H3    3   0.033827  -0.032131  -0.019114
-    1SOL     O4    4  -0.040976   0.102299   0.073371
-    1SOL     H5    5  -0.011475   0.173474   0.016572
-    1SOL     H6    6  -0.135543   0.115129   0.080775
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047346  -0.086868  -0.098873
-    0SOL     H2    2  -0.078041  -0.046865  -0.180236
-    0SOL     H3    3  -0.044957  -0.014687  -0.036052
-    1SOL     O4    4   0.042224   0.080414   0.098476
-    1SOL     H5    5   0.086249   0.086812   0.183230
-    1SOL     H6    6   0.112536   0.089497   0.034164
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007797  -0.042973  -0.127979
-    0SOL     H2    2   0.031747   0.045187  -0.099405
-    0SOL     H3    3   0.031911  -0.045569  -0.220575
-    1SOL     O4    4  -0.005251   0.042430   0.133049
-    1SOL     H5    5  -0.090367   0.042887   0.176838
-    1SOL     H6    6  -0.011320  -0.028927   0.069538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049871  -0.098715  -0.072763
-    0SOL     H2    2   0.036623  -0.118831  -0.108490
-    0SOL     H3    3  -0.103961  -0.173837  -0.097118
-    1SOL     O4    4   0.052408   0.103255   0.081646
-    1SOL     H5    5   0.006474   0.037822   0.029007
-    1SOL     H6    6   0.020643   0.187273   0.048567
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066016   0.117482  -0.039324
-    0SOL     H2    2  -0.135456   0.113927  -0.105109
-    0SOL     H3    3  -0.061577   0.028518  -0.004282
-    1SOL     O4    4   0.068198  -0.107759   0.045390
-    1SOL     H5    5   0.020715  -0.170671  -0.008922
-    1SOL     H6    6   0.160289  -0.121688   0.023310
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080672   0.017246   0.105132
-    0SOL     H2    2   0.038869   0.071471   0.172023
-    0SOL     H3    3   0.168508   0.054123   0.095790
-    1SOL     O4    4  -0.090820  -0.024514  -0.110088
-    1SOL     H5    5  -0.046916  -0.018297  -0.025258
-    1SOL     H6    6  -0.022552  -0.004084  -0.173997
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041979   0.004950   0.135122
-    0SOL     H2    2   0.075460   0.088945   0.166526
-    0SOL     H3    3   0.003221   0.024911   0.049906
-    1SOL     O4    4  -0.045770  -0.007627  -0.128130
-    1SOL     H5    5   0.025035   0.028398  -0.181525
-    1SOL     H6    6  -0.044241  -0.101564  -0.146458
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036654  -0.075211  -0.117787
-    0SOL     H2    2   0.014821  -0.036496  -0.046979
-    0SOL     H3    3  -0.083925  -0.001386  -0.156228
-    1SOL     O4    4   0.030570   0.065615   0.115264
-    1SOL     H5    5   0.054043   0.156397   0.096031
-    1SOL     H6    6   0.112254   0.025470   0.144903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088953   0.100427   0.007069
-    0SOL     H2    2  -0.095117   0.195821   0.002142
-    0SOL     H3    3  -0.137684   0.077282   0.086139
-    1SOL     O4    4   0.091885  -0.110455  -0.007702
-    1SOL     H5    5   0.039423  -0.031317   0.004437
-    1SOL     H6    6   0.149224  -0.090135  -0.081605
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048773   0.117095  -0.071083
-    0SOL     H2    2  -0.006851   0.170248  -0.003411
-    0SOL     H3    3  -0.032979   0.026710  -0.043820
-    1SOL     O4    4   0.043556  -0.114792   0.059420
-    1SOL     H5    5   0.117111  -0.069936   0.101134
-    1SOL     H6    6   0.005178  -0.167936   0.129171
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000371  -0.142297  -0.025140
-    0SOL     H2    2   0.021612  -0.050136  -0.011520
-    0SOL     H3    3   0.069538  -0.190436   0.019106
-    1SOL     O4    4  -0.009285   0.134869   0.022433
-    1SOL     H5    5   0.052143   0.163775   0.089912
-    1SOL     H6    6   0.008823   0.191693  -0.052436
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140542  -0.021712  -0.013346
-    0SOL     H2    2   0.205361   0.011584   0.048719
-    0SOL     H3    3   0.078218   0.050176  -0.023835
-    1SOL     O4    4  -0.134624   0.013859   0.011074
-    1SOL     H5    5  -0.213106  -0.040907   0.012930
-    1SOL     H6    6  -0.167468   0.102330  -0.004945
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011075   0.134225  -0.059796
-    0SOL     H2    2  -0.039341   0.045417  -0.037965
-    0SOL     H3    3   0.083159   0.134228  -0.042998
-    1SOL     O4    4   0.003884  -0.125052   0.056401
-    1SOL     H5    5  -0.015121  -0.201617   0.110614
-    1SOL     H6    6   0.094086  -0.138139   0.027168
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000239  -0.120247  -0.068900
-    0SOL     H2    2  -0.050757  -0.127305  -0.149896
-    0SOL     H3    3  -0.041243  -0.183104  -0.009487
-    1SOL     O4    4  -0.000183   0.125650   0.073847
-    1SOL     H5    5   0.024783   0.045438   0.027967
-    1SOL     H6    6   0.072105   0.186198   0.057395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131123   0.059452   0.023403
-    0SOL     H2    2   0.158946   0.017320  -0.057918
-    0SOL     H3    3   0.065533   0.123556  -0.004001
-    1SOL     O4    4  -0.134248  -0.060527  -0.013317
-    1SOL     H5    5  -0.105158  -0.002475  -0.083646
-    1SOL     H6    6  -0.065052  -0.126293  -0.006319
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054022   0.089646   0.103522
-    0SOL     H2    2  -0.071553   0.070616   0.011365
-    0SOL     H3    3   0.015852   0.155040   0.101652
-    1SOL     O4    4   0.052642  -0.086584  -0.093874
-    1SOL     H5    5   0.009754  -0.093543  -0.179165
-    1SOL     H6    6   0.071561  -0.177078  -0.069071
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021206  -0.147490   0.006110
-    0SOL     H2    2  -0.061332  -0.177304  -0.075519
-    0SOL     H3    3  -0.011114  -0.052981  -0.005228
-    1SOL     O4    4   0.021474   0.137866  -0.002740
-    1SOL     H5    5   0.059651   0.160249   0.082136
-    1SOL     H6    6   0.011321   0.221917  -0.047403
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051432  -0.139453   0.000395
-    0SOL     H2    2  -0.024259  -0.173438   0.085653
-    0SOL     H3    3   0.007175  -0.065516  -0.015755
-    1SOL     O4    4   0.051766   0.133147  -0.000023
-    1SOL     H5    5   0.065153   0.174623  -0.085245
-    1SOL     H6    6  -0.032663   0.166772   0.030033
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012120  -0.031296  -0.147714
-    0SOL     H2    2   0.011948   0.006156  -0.059625
-    0SOL     H3    3   0.094483  -0.001480  -0.186308
-    1SOL     O4    4  -0.011227   0.030173   0.142329
-    1SOL     H5    5  -0.102276   0.047271   0.118243
-    1SOL     H6    6  -0.016712  -0.035216   0.212017
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010368   0.007083  -0.155128
-    0SOL     H2    2   0.041740   0.000628  -0.075094
-    0SOL     H3    3  -0.101101   0.008276  -0.124659
-    1SOL     O4    4   0.008848  -0.004634   0.142706
-    1SOL     H5    5   0.042277  -0.091655   0.164432
-    1SOL     H6    6   0.034344   0.050101   0.216978
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118578  -0.027826   0.080573
-    0SOL     H2    2  -0.142572   0.050064   0.130771
-    0SOL     H3    3  -0.201395  -0.073669   0.066358
-    1SOL     O4    4   0.124782   0.024767  -0.089460
-    1SOL     H5    5   0.199166   0.042939  -0.032020
-    1SOL     H6    6   0.048649   0.026708  -0.031475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.109870  -0.091212  -0.059659
-    0SOL     H2    2  -0.091838  -0.184863  -0.051489
-    0SOL     H3    3  -0.044403  -0.049211  -0.003871
-    1SOL     O4    4   0.103619   0.087764   0.056414
-    1SOL     H5    5   0.190997   0.126819   0.057863
-    1SOL     H6    6   0.044198   0.162231   0.047136
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104829   0.106936   0.007959
-    0SOL     H2    2  -0.194099   0.072679   0.012391
-    0SOL     H3    3  -0.092724   0.130549  -0.084009
-    1SOL     O4    4   0.116503  -0.104666  -0.003180
-    1SOL     H5    5   0.044575  -0.058393   0.039803
-    1SOL     H6    6   0.074988  -0.180252  -0.044721
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066977   0.008008  -0.132737
-    0SOL     H2    2   0.160003  -0.013617  -0.126338
-    0SOL     H3    3   0.064486   0.087964  -0.185303
-    1SOL     O4    4  -0.077550  -0.009298   0.136593
-    1SOL     H5    5  -0.039108  -0.017945   0.049360
-    1SOL     H6    6  -0.008781  -0.039014   0.196177
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013886  -0.075852  -0.144640
-    0SOL     H2    2   0.021843   0.009983  -0.186248
-    0SOL     H3    3  -0.004008  -0.056363  -0.052649
-    1SOL     O4    4  -0.015297   0.063483   0.143103
-    1SOL     H5    5  -0.065429   0.138522   0.111192
-    1SOL     H6    6   0.074275   0.096214   0.151341
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139818   0.086828   0.006051
-    0SOL     H2    2  -0.079743   0.141637   0.056542
-    0SOL     H3    3  -0.090818   0.006235  -0.010260
-    1SOL     O4    4   0.128497  -0.088267  -0.009613
-    1SOL     H5    5   0.165060  -0.078374   0.078294
-    1SOL     H6    6   0.186346  -0.036518  -0.065629
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064754   0.142310   0.001642
-    0SOL     H2    2  -0.150747   0.101212   0.010497
-    0SOL     H3    3  -0.067426   0.185389  -0.083794
-    1SOL     O4    4   0.069141  -0.146748   0.008138
-    1SOL     H5    5   0.097878  -0.171334  -0.079794
-    1SOL     H6    6   0.055195  -0.052175   0.003261
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004992  -0.128974  -0.089781
-    0SOL     H2    2  -0.094063  -0.127586  -0.054755
-    0SOL     H3    3  -0.016594  -0.132840  -0.184717
-    1SOL     O4    4   0.016465   0.133770   0.093979
-    1SOL     H5    5   0.015546   0.052236   0.043843
-    1SOL     H6    6  -0.069747   0.137442   0.135408
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101583  -0.105636   0.063606
-    0SOL     H2    2   0.192769  -0.125576   0.042396
-    0SOL     H3    3   0.099713  -0.010554   0.074482
-    1SOL     O4    4  -0.105717   0.094928  -0.065670
-    1SOL     H5    5  -0.112065   0.176787  -0.114875
-    1SOL     H6    6  -0.105201   0.122077   0.026117
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044004   0.068607  -0.137080
-    0SOL     H2    2   0.047344   0.075883  -0.109422
-    0SOL     H3    3  -0.044394   0.100646  -0.227277
-    1SOL     O4    4   0.036428  -0.065630   0.144619
-    1SOL     H5    5   0.118704  -0.059277   0.096115
-    1SOL     H6    6   0.000717  -0.151022   0.120222
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055898   0.115295   0.107856
-    0SOL     H2    2  -0.145139   0.089414   0.130847
-    0SOL     H3    3  -0.037177   0.067650   0.026975
-    1SOL     O4    4   0.058886  -0.109573  -0.098465
-    1SOL     H5    5   0.129671  -0.087599  -0.159037
-    1SOL     H6    6  -0.000367  -0.164557  -0.149731
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089177   0.000553   0.140622
-    0SOL     H2    2  -0.102517   0.043961   0.056360
-    0SOL     H3    3  -0.156590   0.037556   0.197618
-    1SOL     O4    4   0.094688  -0.002711  -0.132990
-    1SOL     H5    5   0.040333  -0.077314  -0.158330
-    1SOL     H6    6   0.122763   0.035819  -0.215994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007090   0.153937   0.083537
-    0SOL     H2    2   0.010643   0.132360  -0.008018
-    0SOL     H3    3  -0.101428   0.141070   0.093388
-    1SOL     O4    4   0.017709  -0.154153  -0.078224
-    1SOL     H5    5  -0.033103  -0.103267  -0.015049
-    1SOL     H6    6  -0.042452  -0.168731  -0.151234
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056771   0.147641   0.072305
-    0SOL     H2    2  -0.144707   0.151789   0.034725
-    0SOL     H3    3   0.001402   0.170615  -0.000154
-    1SOL     O4    4   0.058847  -0.153894  -0.069973
-    1SOL     H5    5   0.016743  -0.157661   0.015907
-    1SOL     H6    6   0.094377  -0.065179  -0.075411
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073479   0.089816   0.124321
-    0SOL     H2    2  -0.010106   0.157098   0.099436
-    0SOL     H3    3  -0.156793   0.136510   0.130709
-    1SOL     O4    4   0.074483  -0.092872  -0.128912
-    1SOL     H5    5   0.073715  -0.056822  -0.040243
-    1SOL     H6    6   0.076844  -0.187720  -0.116236
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018033  -0.126277  -0.133174
-    0SOL     H2    2   0.034649  -0.155698  -0.058868
-    0SOL     H3    3  -0.026100  -0.031688  -0.120918
-    1SOL     O4    4   0.014700   0.116421   0.126289
-    1SOL     H5    5   0.082171   0.178013   0.097716
-    1SOL     H6    6  -0.040851   0.167353   0.185300
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067417   0.097530   0.135801
-    0SOL     H2    2   0.095254   0.011064   0.105617
-    0SOL     H3    3   0.147377   0.150142   0.134932
-    1SOL     O4    4  -0.074288  -0.093396  -0.127246
-    1SOL     H5    5  -0.091561  -0.179691  -0.164892
-    1SOL     H6    6  -0.051995  -0.038456  -0.202391
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013286  -0.018364  -0.179196
-    0SOL     H2    2   0.008286   0.054229  -0.117006
-    0SOL     H3    3   0.037923   0.022693  -0.262079
-    1SOL     O4    4  -0.017297   0.005566   0.180600
-    1SOL     H5    5   0.052801   0.034019   0.239244
-    1SOL     H6    6  -0.031333   0.080009   0.122088
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055088  -0.149982   0.094008
-    0SOL     H2    2   0.032710  -0.071050   0.044700
-    0SOL     H3    3   0.000570  -0.145472   0.172557
-    1SOL     O4    4  -0.045831   0.147012  -0.091135
-    1SOL     H5    5  -0.044822   0.154639  -0.186545
-    1SOL     H6    6  -0.134254   0.116777  -0.070410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034770   0.084620  -0.150070
-    0SOL     H2    2   0.020818   0.119175  -0.238238
-    0SOL     H3    3   0.062618   0.160440  -0.098707
-    1SOL     O4    4  -0.041759  -0.090060   0.155366
-    1SOL     H5    5  -0.014811  -0.068993   0.065967
-    1SOL     H6    6   0.034521  -0.133180   0.193894
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040810   0.100276  -0.146594
-    0SOL     H2    2   0.001122   0.182858  -0.174295
-    0SOL     H3    3  -0.033358   0.041188  -0.133554
-    1SOL     O4    4  -0.030551  -0.097252   0.150435
-    1SOL     H5    5  -0.124983  -0.088760   0.137288
-    1SOL     H6    6  -0.008112  -0.181006   0.109887
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.154972  -0.110411  -0.027968
-    0SOL     H2    2  -0.095325  -0.102465  -0.102409
-    0SOL     H3    3  -0.130311  -0.038598   0.030316
-    1SOL     O4    4   0.149041   0.112464   0.028876
-    1SOL     H5    5   0.155813   0.051887  -0.044927
-    1SOL     H6    6   0.156794   0.056826   0.106379
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062356  -0.062591  -0.160343
-    0SOL     H2    2   0.082922   0.025479  -0.128988
-    0SOL     H3    3   0.124328  -0.077739  -0.231704
-    1SOL     O4    4  -0.068283   0.062738   0.167118
-    1SOL     H5    5  -0.020617   0.068368   0.084302
-    1SOL     H6    6  -0.101269  -0.027080   0.169765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023265   0.178397  -0.050526
-    0SOL     H2    2   0.080969   0.104719  -0.030426
-    0SOL     H3    3   0.065480   0.222531  -0.124230
-    1SOL     O4    4  -0.022365  -0.177787   0.053101
-    1SOL     H5    5  -0.075590  -0.117165   0.001580
-    1SOL     H6    6  -0.084437  -0.219260   0.113012
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024274  -0.158434  -0.103328
-    0SOL     H2    2  -0.099361  -0.182215  -0.048934
-    0SOL     H3    3   0.024932  -0.239935  -0.113264
-    1SOL     O4    4   0.028480   0.159055   0.105003
-    1SOL     H5    5   0.001482   0.151658   0.013468
-    1SOL     H6    6   0.005589   0.248681   0.129608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146321   0.117603  -0.071843
-    0SOL     H2    2  -0.147885   0.205984  -0.108567
-    0SOL     H3    3  -0.055396   0.104369  -0.045011
-    1SOL     O4    4   0.139684  -0.115235   0.073206
-    1SOL     H5    5   0.150083  -0.179364   0.143503
-    1SOL     H6    6   0.161576  -0.163344  -0.006598
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149437  -0.126773  -0.056906
-    0SOL     H2    2   0.079741  -0.135263  -0.121966
-    0SOL     H3    3   0.133329  -0.198019   0.004955
-    1SOL     O4    4  -0.146746   0.128394   0.051304
-    1SOL     H5    5  -0.064903   0.110624   0.097653
-    1SOL     H6    6  -0.189285   0.196756   0.103068
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124642  -0.031625  -0.158327
-    0SOL     H2    2   0.148435  -0.074943  -0.240301
-    0SOL     H3    3   0.040208   0.009599  -0.176596
-    1SOL     O4    4  -0.120231   0.031937   0.169889
-    1SOL     H5    5  -0.189532  -0.011663   0.120303
-    1SOL     H6    6  -0.065888   0.074017   0.103268
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.157601   0.019057   0.130083
-    0SOL     H2    2  -0.083198   0.058230   0.175822
-    0SOL     H3    3  -0.234218   0.048289   0.179456
-    1SOL     O4    4   0.158237  -0.029728  -0.134493
-    1SOL     H5    5   0.135260   0.040088  -0.073173
-    1SOL     H6    6   0.162838   0.013696  -0.219672
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132860   0.188540   0.003203
-    0SOL     H2    2  -0.094247   0.200689  -0.083537
-    0SOL     H3    3  -0.099770   0.103643   0.032525
-    1SOL     O4    4   0.124574  -0.178539  -0.002015
-    1SOL     H5    5   0.210853  -0.176918   0.039404
-    1SOL     H6    6   0.101701  -0.271392  -0.006196
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124933   0.144043   0.107168
-    0SOL     H2    2  -0.111887   0.195678   0.186704
-    0SOL     H3    3  -0.212497   0.168191   0.076972
-    1SOL     O4    4   0.132278  -0.150508  -0.114720
-    1SOL     H5    5   0.122563  -0.060290  -0.084245
-    1SOL     H6    6   0.078974  -0.202134  -0.054256
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.219820   0.027295   0.064876
-    0SOL     H2    2   0.176363   0.106857   0.034155
-    0SOL     H3    3   0.279304   0.003458  -0.006228
-    1SOL     O4    4  -0.226512  -0.028975  -0.060390
-    1SOL     H5    5  -0.148863   0.026967  -0.062224
-    1SOL     H6    6  -0.194317  -0.113718  -0.029659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116336   0.059755   0.196433
-    0SOL     H2    2  -0.113160  -0.035886   0.194192
-    0SOL     H3    3  -0.209661   0.080571   0.200849
-    1SOL     O4    4   0.119504  -0.049263  -0.197343
-    1SOL     H5    5   0.202957  -0.089044  -0.222151
-    1SOL     H6    6   0.069828  -0.120654  -0.157372
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034621   0.062145   0.233858
-    0SOL     H2    2   0.034223  -0.018621   0.285228
-    0SOL     H3    3   0.050971   0.033378   0.144039
-    1SOL     O4    4  -0.037822  -0.053662  -0.238214
-    1SOL     H5    5  -0.090706  -0.056199  -0.158470
-    1SOL     H6    6   0.047748  -0.087094  -0.211337
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035112   0.174416   0.156314
-    0SOL     H2    2   0.081249   0.130266   0.227620
-    0SOL     H3    3   0.029371   0.265753   0.184365
-    1SOL     O4    4  -0.035038  -0.178578  -0.168103
-    1SOL     H5    5  -0.090416  -0.103943  -0.145188
-    1SOL     H6    6  -0.023194  -0.225862  -0.085724
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061770  -0.205045   0.104433
-    0SOL     H2    2   0.049151  -0.232852   0.195152
-    0SOL     H3    3   0.067354  -0.286731   0.054849
-    1SOL     O4    4  -0.062811   0.206157  -0.103683
-    1SOL     H5    5  -0.032590   0.290179  -0.069197
-    1SOL     H6    6  -0.065819   0.218821  -0.198513
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036106  -0.040766   0.233879
-    0SOL     H2    2   0.040304   0.037124   0.289358
-    0SOL     H3    3  -0.008755  -0.106085   0.287573
-    1SOL     O4    4  -0.030300   0.034661  -0.243694
-    1SOL     H5    5  -0.108571   0.037803  -0.188685
-    1SOL     H6    6  -0.004870   0.126306  -0.254505
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-    6
-    0SOL     O1    1   0.094004   0.238421  -0.014667
-    0SOL     H2    2   0.040240   0.167369  -0.049643
-    0SOL     H3    3   0.074782   0.313168  -0.071286
-    1SOL     O4    4  -0.090368  -0.243897   0.015169
-    1SOL     H5    5  -0.022204  -0.177073   0.022280
-    1SOL     H6    6  -0.148213  -0.227187   0.089581
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047353   0.248871  -0.007304
-    0SOL     H2    2  -0.050349   0.344543  -0.006912
-    0SOL     H3    3  -0.096935   0.222990   0.070376
-    1SOL     O4    4   0.047968  -0.258192   0.000609
-    1SOL     H5    5   0.132233  -0.213892  -0.009359
-    1SOL     H6    6  -0.001032  -0.203104   0.061656
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077793  -0.197066   0.150362
-    0SOL     H2    2  -0.155700  -0.233328   0.192527
-    0SOL     H3    3  -0.004740  -0.244467   0.190093
-    1SOL     O4    4   0.079641   0.207801  -0.154036
-    1SOL     H5    5   0.107715   0.138811  -0.093915
-    1SOL     H6    6   0.022565   0.163289  -0.216672
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062581   0.275950  -0.017739
-    0SOL     H2    2   0.015714   0.222168  -0.029559
-    0SOL     H3    3  -0.114871   0.228358   0.046783
-    1SOL     O4    4   0.057628  -0.265795   0.018767
-    1SOL     H5    5   0.143135  -0.307210   0.030412
-    1SOL     H6    6   0.033116  -0.286308  -0.071459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104860   0.000761   0.277456
-    0SOL     H2    2   0.014453   0.030940   0.286296
-    0SOL     H3    3   0.135851  -0.008894   0.367504
-    1SOL     O4    4  -0.099704   0.002510  -0.286658
-    1SOL     H5    5  -0.056380  -0.028829  -0.207266
-    1SOL     H6    6  -0.180977  -0.047860  -0.291124
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003572  -0.021880   0.309169
-    0SOL     H2    2  -0.052987  -0.082807   0.261721
-    0SOL     H3    3  -0.004957   0.060762   0.261630
-    1SOL     O4    4  -0.003473   0.025931  -0.304965
-    1SOL     H5    5   0.090534   0.023877  -0.287059
-    1SOL     H6    6  -0.030665  -0.065761  -0.301014
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122210   0.303359   0.177224
-    0SOL     H2    2  -0.120169   0.287506   0.271600
-    0SOL     H3    3  -0.206022   0.267050   0.148597
-    1SOL     O4    4   0.122316  -0.304299  -0.182469
-    1SOL     H5    5   0.209256  -0.300099  -0.222296
-    1SOL     H6    6   0.122235  -0.233960  -0.117548
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.176453  -0.234498   0.261675
-    0SOL     H2    2   0.202517  -0.185327   0.339554
-    0SOL     H3    3   0.087461  -0.264176   0.280699
-    1SOL     O4    4  -0.171094   0.237814  -0.270935
-    1SOL     H5    5  -0.161754   0.238774  -0.175676
-    1SOL     H6    6  -0.213441   0.154126  -0.290054
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116649  -0.353231  -0.135362
-    0SOL     H2    2  -0.124839  -0.395174  -0.221013
-    0SOL     H3    3  -0.025932  -0.369263  -0.109366
-    1SOL     O4    4   0.112588   0.359082   0.132021
-    1SOL     H5    5   0.189842   0.345247   0.186818
-    1SOL     H6    6   0.039218   0.330046   0.186207
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065004  -0.400857  -0.077742
-    0SOL     H2    2  -0.114404  -0.325588  -0.045236
-    0SOL     H3    3   0.007323  -0.410652  -0.015813
-    1SOL     O4    4   0.060329   0.402466   0.076213
-    1SOL     H5    5   0.056779   0.382254  -0.017281
-    1SOL     H6    6   0.123100   0.339672   0.111975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009383  -0.413201  -0.081272
-    0SOL     H2    2   0.099381  -0.444314  -0.091000
-    0SOL     H3    3  -0.044705  -0.487186  -0.108897
-    1SOL     O4    4  -0.006731   0.419693   0.077850
-    1SOL     H5    5  -0.032790   0.341132   0.125928
-    1SOL     H6    6  -0.051253   0.491365   0.123052
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097725  -0.418472  -0.029277
-    0SOL     H2    2   0.035769  -0.382038  -0.092495
-    0SOL     H3    3   0.128596  -0.499472  -0.069877
-    1SOL     O4    4  -0.100334   0.421950   0.029439
-    1SOL     H5    5  -0.046408   0.487795   0.073242
-    1SOL     H6    6  -0.084239   0.341300   0.078416
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108864  -0.058111  -0.413055
-    0SOL     H2    2   0.178783   0.007000  -0.418910
-    0SOL     H3    3   0.114604  -0.106941  -0.495183
-    1SOL     O4    4  -0.118772   0.054573   0.418835
-    1SOL     H5    5  -0.094670   0.146124   0.432974
-    1SOL     H6    6  -0.038232   0.013041   0.388002
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015979   0.216630  -0.374224
-    0SOL     H2    2   0.022451   0.141508  -0.419414
-    0SOL     H3    3  -0.061959   0.264975  -0.442860
-    1SOL     O4    4   0.015227  -0.217804   0.374452
-    1SOL     H5    5   0.093599  -0.231236   0.427741
-    1SOL     H6    6  -0.040857  -0.161662   0.427978
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.198056  -0.308911  -0.276921
-    0SOL     H2    2   0.142145  -0.257636  -0.335290
-    0SOL     H3    3   0.176485  -0.399999  -0.296920
-    1SOL     O4    4  -0.191019   0.306227   0.282883
-    1SOL     H5    5  -0.225486   0.371800   0.343501
-    1SOL     H6    6  -0.211245   0.340896   0.195984
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.138799  -0.223428   0.458598
-    0SOL     H2    2  -0.127799  -0.128379   0.461246
-    0SOL     H3    3  -0.123886  -0.246770   0.366974
-    1SOL     O4    4   0.141306   0.224884  -0.455259
-    1SOL     H5    5   0.070951   0.219772  -0.390557
-    1SOL     H6    6   0.146768   0.136583  -0.491801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.161762  -0.103141  -0.508872
-    0SOL     H2    2   0.148776  -0.160110  -0.584688
-    0SOL     H3    3   0.090217  -0.125655  -0.449401
-    1SOL     O4    4  -0.156667   0.103619   0.515892
-    1SOL     H5    5  -0.085798   0.146982   0.468357
-    1SOL     H6    6  -0.235174   0.122664   0.464547
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010330  -0.027043   0.542835
-    0SOL     H2    2   0.076184  -0.008906   0.579561
-    0SOL     H3    3  -0.049549  -0.089721   0.603626
-    1SOL     O4    4   0.010682   0.025586  -0.552285
-    1SOL     H5    5  -0.048162   0.005958  -0.479385
-    1SOL     H6    6   0.012585   0.121193  -0.556518
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.365756   0.484576  -0.338345
-    0SOL     H2    2  -0.380668   0.413795  -0.401034
-    0SOL     H3    3  -0.270675   0.495481  -0.336632
-    1SOL     O4    4   0.361508  -0.479817   0.348334
-    1SOL     H5    5   0.363798  -0.418929   0.274512
-    1SOL     H6    6   0.359485  -0.566536   0.307863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.814055   0.341367  -0.077551
-    0SOL     H2    2  -0.797873   0.435637  -0.073859
-    0SOL     H3    3  -0.762775   0.305362  -0.005188
-    1SOL     O4    4   0.811392  -0.342309   0.066878
-    1SOL     H5    5   0.726912  -0.378629   0.093455
-    1SOL     H6    6   0.866195  -0.349337   0.145042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.848883   0.534711   0.138491
-    0SOL     H2    2   0.836288   0.443110   0.113733
-    0SOL     H3    3   0.920959   0.564831   0.083172
-    1SOL     O4    4  -0.853627  -0.525476  -0.130204
-    1SOL     H5    5  -0.770690  -0.549784  -0.171350
-    1SOL     H6    6  -0.913434  -0.596699  -0.152850
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   1.059026   0.357539  -0.355201
-    0SOL     H2    2   0.977993   0.352313  -0.304519
-    0SOL     H3    3   1.085972   0.449105  -0.348001
-    1SOL     O4    4  -1.053200  -0.357555   0.348479
-    1SOL     H5    5  -1.024761  -0.445812   0.372234
-    1SOL     H6    6  -1.137952  -0.347191   0.391746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   1.169952   0.131060  -0.045462
-    0SOL     H2    2   1.219196   0.152998  -0.124557
-    0SOL     H3    3   1.115382   0.207971  -0.029061
-    1SOL     O4    4  -1.175691  -0.136941   0.049731
-    1SOL     H5    5  -1.114038  -0.184876   0.105080
-    1SOL     H6    6  -1.120389  -0.090034  -0.012749
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.120062  -0.034304  -0.039081
-    0SOL     H2    2   0.036947  -0.011772   0.002710
-    0SOL     H3    3   0.116454  -0.129331  -0.049991
-    1SOL     O4    4  -0.109809   0.034936   0.033799
-    1SOL     H5    5  -0.107848   0.128031   0.055976
-    1SOL     H6    6  -0.193716   0.003915   0.067854
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.109897   0.037067   0.064480
-    0SOL     H2    2  -0.157544  -0.045263   0.053811
-    0SOL     H3    3  -0.025002   0.021185   0.023214
-    1SOL     O4    4   0.105851  -0.024944  -0.062939
-    1SOL     H5    5   0.092648  -0.106635  -0.111049
-    1SOL     H6    6   0.153622  -0.050935   0.015831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.100579   0.034337  -0.079303
-    0SOL     H2    2   0.021182  -0.002259  -0.040326
-    0SOL     H3    3   0.080516   0.041224  -0.172643
-    1SOL     O4    4  -0.095316  -0.026378   0.079579
-    1SOL     H5    5  -0.046805  -0.044154   0.160158
-    1SOL     H6    6  -0.131043  -0.111366   0.053831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071902   0.095719  -0.060759
-    0SOL     H2    2   0.072975   0.108020  -0.155679
-    0SOL     H3    3   0.003404   0.030558  -0.045776
-    1SOL     O4    4  -0.069087  -0.090362   0.058657
-    1SOL     H5    5  -0.105125  -0.053208   0.139175
-    1SOL     H6    6  -0.012980  -0.162023   0.088306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057367  -0.000128   0.112546
-    0SOL     H2    2   0.143867  -0.026156   0.144210
-    0SOL     H3    3  -0.003943  -0.042874   0.172347
-    1SOL     O4    4  -0.063323   0.003861  -0.123108
-    1SOL     H5    5   0.030041  -0.017204  -0.124438
-    1SOL     H6    6  -0.079615   0.035080  -0.034101
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000826  -0.084002  -0.093884
-    0SOL     H2    2   0.013556  -0.069305  -0.187369
-    0SOL     H3    3   0.002056  -0.179149  -0.083827
-    1SOL     O4    4  -0.004891   0.094317   0.100661
-    1SOL     H5    5   0.084420   0.077121   0.130496
-    1SOL     H6    6  -0.021826   0.026495   0.035272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063367  -0.003163  -0.119615
-    0SOL     H2    2  -0.039560  -0.029353  -0.030679
-    0SOL     H3    3  -0.047406  -0.081200  -0.172697
-    1SOL     O4    4   0.059987   0.002331   0.116090
-    1SOL     H5    5   0.109422   0.064764   0.062981
-    1SOL     H6    6   0.032034   0.052700   0.192536
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108898   0.084988   0.005096
-    0SOL     H2    2  -0.053932   0.163276   0.008564
-    0SOL     H3    3  -0.047096   0.012747  -0.006041
-    1SOL     O4    4   0.096399  -0.088314  -0.002347
-    1SOL     H5    5   0.122364  -0.073707  -0.093313
-    1SOL     H6    6   0.167953  -0.051215   0.049287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000092   0.127326   0.053984
-    0SOL     H2    2  -0.034588   0.043667   0.022988
-    0SOL     H3    3   0.070408   0.103282   0.114316
-    1SOL     O4    4  -0.005349  -0.118216  -0.051223
-    1SOL     H5    5  -0.015953  -0.209324  -0.078592
-    1SOL     H6    6   0.065103  -0.084567  -0.106600
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104964   0.069470   0.032700
-    0SOL     H2    2  -0.069641   0.151608   0.066876
-    0SOL     H3    3  -0.150801   0.030285   0.107036
-    1SOL     O4    4   0.102954  -0.076659  -0.043132
-    1SOL     H5    5   0.050600  -0.018419   0.011909
-    1SOL     H6    6   0.193654  -0.054334  -0.022217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122092   0.043669  -0.041158
-    0SOL     H2    2  -0.151046   0.132135  -0.018846
-    0SOL     H3    3  -0.031924   0.039190  -0.009347
-    1SOL     O4    4   0.114343  -0.042441   0.037275
-    1SOL     H5    5   0.200691  -0.053346  -0.002567
-    1SOL     H6    6   0.104375  -0.118737   0.094213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067418  -0.042459  -0.099642
-    0SOL     H2    2   0.095728   0.012629  -0.172623
-    0SOL     H3    3   0.038576  -0.123906  -0.140834
-    1SOL     O4    4  -0.070555   0.039508   0.110284
-    1SOL     H5    5  -0.058187   0.132260   0.130440
-    1SOL     H6    6  -0.026619   0.027167   0.026143
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074039  -0.102990   0.037549
-    0SOL     H2    2   0.038390  -0.189704   0.056843
-    0SOL     H3    3   0.098029  -0.106960  -0.055031
-    1SOL     O4    4  -0.079876   0.109316  -0.035095
-    1SOL     H5    5  -0.000997   0.156437  -0.061932
-    1SOL     H6    6  -0.048282   0.042016   0.025194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118426   0.025798   0.058809
-    0SOL     H2    2   0.136135   0.002061   0.149833
-    0SOL     H3    3   0.047465   0.089822   0.064073
-    1SOL     O4    4  -0.118942  -0.025903  -0.069727
-    1SOL     H5    5  -0.024827  -0.043065  -0.066558
-    1SOL     H6    6  -0.150945  -0.051582   0.016752
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098795   0.086574  -0.011547
-    0SOL     H2    2  -0.136243   0.114087  -0.095231
-    0SOL     H3    3  -0.042060   0.159175   0.014384
-    1SOL     O4    4   0.103150  -0.091814   0.010458
-    1SOL     H5    5   0.086930  -0.160178   0.075463
-    1SOL     H6    6   0.028043  -0.032987   0.018247
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045717   0.102171   0.064039
-    0SOL     H2    2   0.050337   0.195780   0.083492
-    0SOL     H3    3   0.135860   0.071290   0.073147
-    1SOL     O4    4  -0.050469  -0.111579  -0.061707
-    1SOL     H5    5  -0.045761  -0.020444  -0.032816
-    1SOL     H6    6  -0.067831  -0.106098  -0.155679
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.087032  -0.090983  -0.040555
-    0SOL     H2    2  -0.109470  -0.183231  -0.052770
-    0SOL     H3    3  -0.101106  -0.075015   0.052769
-    1SOL     O4    4   0.088752   0.100684   0.039142
-    1SOL     H5    5   0.018230   0.050735  -0.002016
-    1SOL     H6    6   0.168507   0.053001   0.016168
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060609  -0.128096  -0.008100
-    0SOL     H2    2   0.111874  -0.074306  -0.068440
-    0SOL     H3    3   0.017019  -0.065001   0.049183
-    1SOL     O4    4  -0.055233   0.123656   0.005544
-    1SOL     H5    5  -0.075441   0.111848   0.098359
-    1SOL     H6    6  -0.133198   0.092157  -0.040188
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070716  -0.096171  -0.055457
-    0SOL     H2    2  -0.139881  -0.158500  -0.033242
-    0SOL     H3    3  -0.100786  -0.054782  -0.136359
-    1SOL     O4    4   0.081994   0.098120   0.060134
-    1SOL     H5    5   0.034623   0.025209   0.020107
-    1SOL     H6    6   0.016266   0.167033   0.069785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051605   0.035669   0.117374
-    0SOL     H2    2   0.145560   0.035061   0.099086
-    0SOL     H3    3   0.042461  -0.015565   0.197710
-    1SOL     O4    4  -0.062326  -0.036005  -0.122539
-    1SOL     H5    5   0.017682  -0.033617  -0.175031
-    1SOL     H6    6  -0.039725   0.010866  -0.042198
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010356  -0.081875   0.113594
-    0SOL     H2    2  -0.020924  -0.030922   0.033254
-    0SOL     H3    3  -0.098262  -0.085780   0.151273
-    1SOL     O4    4   0.012430   0.078762  -0.106122
-    1SOL     H5    5  -0.000466   0.038547  -0.192022
-    1SOL     H6    6   0.096884   0.123301  -0.112910
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066572  -0.122557   0.014034
-    0SOL     H2    2   0.037396  -0.032580   0.028700
-    0SOL     H3    3   0.130153  -0.138828   0.083713
-    1SOL     O4    4  -0.063909   0.115882  -0.013794
-    1SOL     H5    5  -0.150407   0.083787  -0.039293
-    1SOL     H6    6  -0.048821   0.191672  -0.070279
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080562   0.075837   0.072747
-    0SOL     H2    2   0.165642   0.060768   0.031557
-    0SOL     H3    3   0.101658   0.111274   0.159127
-    1SOL     O4    4  -0.086023  -0.083238  -0.077332
-    1SOL     H5    5  -0.132128  -0.011571  -0.120927
-    1SOL     H6    6  -0.045823  -0.042694  -0.000504
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123307   0.051958  -0.054981
-    0SOL     H2    2  -0.031090   0.047394  -0.029734
-    0SOL     H3    3  -0.171254   0.039982   0.026995
-    1SOL     O4    4   0.117250  -0.049932   0.043248
-    1SOL     H5    5   0.087669  -0.078006   0.129845
-    1SOL     H6    6   0.212024  -0.040024   0.052307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061279  -0.117899   0.031296
-    0SOL     H2    2  -0.039174  -0.115599   0.124400
-    0SOL     H3    3  -0.155855  -0.132535   0.029439
-    1SOL     O4    4   0.066596   0.125155  -0.040023
-    1SOL     H5    5  -0.010314   0.068198  -0.038255
-    1SOL     H6    6   0.132259   0.078422   0.011616
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031240   0.069385   0.118572
-    0SOL     H2    2   0.016486   0.156495   0.155403
-    0SOL     H3    3   0.041180   0.084444   0.024568
-    1SOL     O4    4  -0.031268  -0.070303  -0.120243
-    1SOL     H5    5  -0.042704  -0.164764  -0.130673
-    1SOL     H6    6  -0.014747  -0.058312  -0.026725
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097555   0.063940   0.076231
-    0SOL     H2    2  -0.176188   0.009490   0.080031
-    0SOL     H3    3  -0.116573   0.128867   0.008518
-    1SOL     O4    4   0.105055  -0.070517  -0.070428
-    1SOL     H5    5   0.016000  -0.036499  -0.061812
-    1SOL     H6    6   0.152643  -0.001693  -0.116915
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002079  -0.079926   0.122724
-    0SOL     H2    2  -0.017981  -0.035050   0.039684
-    0SOL     H3    3  -0.027370  -0.016300   0.189615
-    1SOL     O4    4   0.006123   0.071115  -0.116313
-    1SOL     H5    5  -0.061972   0.137525  -0.127043
-    1SOL     H6    6   0.039489   0.056437  -0.204821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055890  -0.125653   0.049347
-    0SOL     H2    2  -0.004555  -0.157298   0.116484
-    0SOL     H3    3   0.025485  -0.037086   0.029503
-    1SOL     O4    4  -0.050042   0.120367  -0.045151
-    1SOL     H5    5   0.005213   0.181099  -0.094354
-    1SOL     H6    6  -0.116496   0.092103  -0.107979
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086203   0.046202  -0.110312
-    0SOL     H2    2  -0.038405   0.022759  -0.030763
-    0SOL     H3    3  -0.166596   0.087455  -0.078727
-    1SOL     O4    4   0.081846  -0.046358   0.102499
-    1SOL     H5    5   0.131981  -0.009914   0.175442
-    1SOL     H6    6   0.145773  -0.096963   0.052351
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068251   0.131687  -0.001463
-    0SOL     H2    2  -0.010790   0.055140  -0.002530
-    0SOL     H3    3  -0.084785   0.150572  -0.093834
-    1SOL     O4    4   0.065296  -0.121446   0.005810
-    1SOL     H5    5   0.039482  -0.161009   0.089061
-    1SOL     H6    6   0.097025  -0.194834  -0.046820
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120712  -0.092369   0.002898
-    0SOL     H2    2  -0.108303  -0.019855  -0.058339
-    0SOL     H3    3  -0.055573  -0.077341   0.071406
-    1SOL     O4    4   0.117117   0.082431   0.001775
-    1SOL     H5    5   0.090492   0.174127   0.008496
-    1SOL     H6    6   0.124199   0.066333  -0.092316
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118632   0.067465  -0.063755
-    0SOL     H2    2   0.175310   0.036549   0.006914
-    0SOL     H3    3   0.030354   0.064181  -0.026896
-    1SOL     O4    4  -0.112683  -0.062678   0.056684
-    1SOL     H5    5  -0.202895  -0.031507   0.063922
-    1SOL     H6    6  -0.114857  -0.151139   0.093186
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046453  -0.028024   0.130705
-    0SOL     H2    2  -0.077497   0.013707   0.211061
-    0SOL     H3    3  -0.103311  -0.104242   0.119733
-    1SOL     O4    4   0.046105   0.029227  -0.138152
-    1SOL     H5    5   0.125745   0.075639  -0.163950
-    1SOL     H6    6   0.065300  -0.004586  -0.050684
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.125357  -0.073124  -0.040282
-    0SOL     H2    2  -0.175578  -0.110089   0.032338
-    0SOL     H3    3  -0.043201  -0.044367  -0.000460
-    1SOL     O4    4   0.119322   0.073178   0.038517
-    1SOL     H5    5   0.189860   0.012148   0.017022
-    1SOL     H6    6   0.125910   0.141816  -0.027873
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088037  -0.016451   0.120759
-    0SOL     H2    2   0.116029  -0.106038   0.139544
-    0SOL     H3    3   0.039555  -0.023206   0.038503
-    1SOL     O4    4  -0.080882   0.020273  -0.114470
-    1SOL     H5    5  -0.105836  -0.000034  -0.204621
-    1SOL     H6    6  -0.157080   0.065324  -0.078046
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050898  -0.055441   0.128941
-    0SOL     H2    2  -0.006708   0.012424   0.164130
-    0SOL     H3    3   0.131680  -0.009172   0.106671
-    1SOL     O4    4  -0.053213   0.048584  -0.135824
-    1SOL     H5    5  -0.073335   0.118621  -0.073759
-    1SOL     H6    6  -0.016254  -0.021357  -0.081929
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055690  -0.093094   0.097549
-    0SOL     H2    2  -0.142031  -0.052458   0.090044
-    0SOL     H3    3  -0.027276  -0.072792   0.186672
-    1SOL     O4    4   0.062942   0.086225  -0.107321
-    1SOL     H5    5   0.065967   0.179187  -0.084713
-    1SOL     H6    6  -0.006604   0.050368  -0.052185
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018109   0.101652   0.108163
-    0SOL     H2    2  -0.032613   0.040273   0.180167
-    0SOL     H3    3  -0.093735   0.160261   0.110987
-    1SOL     O4    4   0.021506  -0.107375  -0.115239
-    1SOL     H5    5   0.032552  -0.096384  -0.020796
-    1SOL     H6    6   0.035838  -0.019921  -0.151416
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.143165  -0.022923  -0.049582
-    0SOL     H2    2   0.166916   0.046570   0.011810
-    0SOL     H3    3   0.143004   0.019763  -0.135257
-    1SOL     O4    4  -0.149339   0.012429   0.054757
-    1SOL     H5    5  -0.146489   0.107152   0.041273
-    1SOL     H6    6  -0.073010  -0.020840   0.007540
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104689  -0.120667  -0.009511
-    0SOL     H2    2  -0.049386  -0.187925  -0.049265
-    0SOL     H3    3  -0.045022  -0.047963   0.008272
-    1SOL     O4    4   0.094319   0.115393   0.010582
-    1SOL     H5    5   0.175624   0.130942   0.058646
-    1SOL     H6    6   0.073480   0.199880  -0.029292
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099843  -0.069751  -0.089407
-    0SOL     H2    2   0.195031  -0.066944  -0.079733
-    0SOL     H3    3   0.085179  -0.065242  -0.183890
-    1SOL     O4    4  -0.104567   0.072394   0.099839
-    1SOL     H5    5  -0.034436   0.019295   0.062098
-    1SOL     H6    6  -0.174566   0.069565   0.034613
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.136541   0.025119   0.068443
-    0SOL     H2    2   0.124694  -0.025021   0.149115
-    0SOL     H3    3   0.158748   0.113382   0.098087
-    1SOL     O4    4  -0.140187  -0.024531  -0.079002
-    1SOL     H5    5  -0.051468  -0.059922  -0.085232
-    1SOL     H6    6  -0.167357  -0.043540   0.010791
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077459   0.129757  -0.043100
-    0SOL     H2    2  -0.024501   0.157681   0.031587
-    0SOL     H3    3  -0.159422   0.178336  -0.033902
-    1SOL     O4    4   0.077397  -0.140927   0.039300
-    1SOL     H5    5   0.081329  -0.074198   0.107813
-    1SOL     H6    6   0.103063  -0.094852  -0.040579
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073495  -0.094839  -0.113324
-    0SOL     H2    2   0.012274  -0.045117  -0.059084
-    0SOL     H3    3   0.080310  -0.179918  -0.069994
-    1SOL     O4    4  -0.071135   0.091234   0.103977
-    1SOL     H5    5  -0.125285   0.126153   0.174764
-    1SOL     H6    6  -0.000532   0.155098   0.094030
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038788   0.135299  -0.087237
-    0SOL     H2    2  -0.003059   0.142668  -0.173009
-    0SOL     H3    3   0.029015   0.043056  -0.063611
-    1SOL     O4    4  -0.033569  -0.125370   0.092980
-    1SOL     H5    5  -0.121941  -0.140338   0.059383
-    1SOL     H6    6   0.010520  -0.209740   0.082974
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077365  -0.004249  -0.146781
-    0SOL     H2    2  -0.022134  -0.044347  -0.213892
-    0SOL     H3    3  -0.017441   0.014784  -0.074606
-    1SOL     O4    4   0.070977   0.010341   0.142261
-    1SOL     H5    5   0.058902   0.015530   0.237074
-    1SOL     H6    6   0.080296  -0.083224   0.124341
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000529  -0.107197   0.115751
-    0SOL     H2    2  -0.069198  -0.094740   0.180134
-    0SOL     H3    3   0.031803  -0.196337   0.131188
-    1SOL     O4    4   0.003571   0.117466  -0.117689
-    1SOL     H5    5   0.009611   0.028559  -0.082740
-    1SOL     H6    6  -0.029985   0.106069  -0.206607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.166138  -0.001357  -0.028177
-    0SOL     H2    2   0.125072   0.045248  -0.101005
-    0SOL     H3    3   0.174819  -0.091490  -0.059208
-    1SOL     O4    4  -0.171227   0.002269   0.036011
-    1SOL     H5    5  -0.118268   0.078072   0.060740
-    1SOL     H6    6  -0.114491  -0.048846  -0.021701
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066898  -0.151753  -0.037472
-    0SOL     H2    2  -0.047399  -0.199500  -0.118109
-    0SOL     H3    3  -0.011820  -0.193254   0.028908
-    1SOL     O4    4   0.058320   0.155157   0.034738
-    1SOL     H5    5   0.072301   0.143531   0.128715
-    1SOL     H6    6   0.139917   0.193797   0.002936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097603   0.125956  -0.074248
-    0SOL     H2    2  -0.079684   0.150347  -0.165057
-    0SOL     H3    3  -0.030518   0.171587  -0.023457
-    1SOL     O4    4   0.096492  -0.135802   0.077158
-    1SOL     H5    5   0.125299  -0.044559   0.074479
-    1SOL     H6    6   0.000973  -0.130934   0.073323
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122142  -0.098717  -0.090947
-    0SOL     H2    2   0.054532  -0.126065  -0.028954
-    0SOL     H3    3   0.201497  -0.143109  -0.061040
-    1SOL     O4    4  -0.119722   0.108024   0.086531
-    1SOL     H5    5  -0.181634   0.086797   0.016683
-    1SOL     H6    6  -0.114211   0.028050   0.138839
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079411  -0.024174   0.155364
-    0SOL     H2    2  -0.151833  -0.080925   0.181759
-    0SOL     H3    3  -0.021891  -0.021537   0.231829
-    1SOL     O4    4   0.086223   0.027384  -0.162683
-    1SOL     H5    5   0.020731  -0.037095  -0.189437
-    1SOL     H6    6   0.038117   0.088909  -0.107340
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042998   0.178604  -0.031639
-    0SOL     H2    2   0.106691   0.152200   0.034755
-    0SOL     H3    3  -0.042134   0.163739   0.009519
-    1SOL     O4    4  -0.040185  -0.170243   0.028228
-    1SOL     H5    5   0.003563  -0.220751  -0.040309
-    1SOL     H6    6  -0.113431  -0.225424   0.055657
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125469   0.142377   0.009059
-    0SOL     H2    2   0.053717   0.089662   0.044203
-    0SOL     H3    3   0.145546   0.102254  -0.075496
-    1SOL     O4    4  -0.125120  -0.137382  -0.001058
-    1SOL     H5    5  -0.077390  -0.209629  -0.041856
-    1SOL     H6    6  -0.125368  -0.068322  -0.067339
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079482   0.158563   0.079005
-    0SOL     H2    2   0.014422   0.145350   0.065976
-    0SOL     H3    3  -0.117949   0.144325  -0.007481
-    1SOL     O4    4   0.081767  -0.153410  -0.075258
-    1SOL     H5    5  -0.006388  -0.148661  -0.112249
-    1SOL     H6    6   0.076861  -0.223721  -0.010492
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031719  -0.007600  -0.185572
-    0SOL     H2    2  -0.035653  -0.098746  -0.156602
-    0SOL     H3    3  -0.002069  -0.012561  -0.276449
-    1SOL     O4    4   0.033708   0.016519   0.193742
-    1SOL     H5    5   0.065653  -0.023027   0.112638
-    1SOL     H6    6  -0.060168  -0.002173   0.194205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002405   0.080768  -0.177606
-    0SOL     H2    2   0.009052   0.175692  -0.182132
-    0SOL     H3    3  -0.013200   0.062320  -0.084303
-    1SOL     O4    4   0.002676  -0.081601   0.166336
-    1SOL     H5    5   0.064075  -0.146621   0.200466
-    1SOL     H6    6  -0.067732  -0.078752   0.231119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000571  -0.195365   0.013677
-    0SOL     H2    2  -0.023459  -0.109606  -0.022154
-    0SOL     H3    3  -0.028455  -0.257641  -0.053453
-    1SOL     O4    4   0.003299   0.195216  -0.014916
-    1SOL     H5    5  -0.033942   0.119757   0.030706
-    1SOL     H6    6   0.038247   0.250612   0.054885
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077136   0.167258   0.085033
-    0SOL     H2    2   0.164646   0.139403   0.058044
-    0SOL     H3    3   0.020848   0.144630   0.010993
-    1SOL     O4    4  -0.075080  -0.158548  -0.081412
-    1SOL     H5    5  -0.083757  -0.191899   0.007890
-    1SOL     H6    6  -0.126239  -0.219328  -0.134805
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139627  -0.120590  -0.091491
-    0SOL     H2    2  -0.217983  -0.086584  -0.048289
-    0SOL     H3    3  -0.076812  -0.133648  -0.020455
-    1SOL     O4    4   0.134174   0.116807   0.087709
-    1SOL     H5    5   0.216042   0.131889   0.134958
-    1SOL     H6    6   0.152284   0.146039  -0.001621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031011   0.203170  -0.016731
-    0SOL     H2    2   0.058446   0.224508   0.009808
-    0SOL     H3    3  -0.073956   0.175065   0.064066
-    1SOL     O4    4   0.031409  -0.196859   0.009470
-    1SOL     H5    5   0.033524  -0.263983   0.077677
-    1SOL     H6    6  -0.028448  -0.231675  -0.056615
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.196729  -0.055527   0.072856
-    0SOL     H2    2  -0.170888   0.035241   0.056864
-    0SOL     H3    3  -0.114668  -0.104717   0.069904
-    1SOL     O4    4   0.188886   0.052706  -0.065976
-    1SOL     H5    5   0.138233   0.017624  -0.139228
-    1SOL     H6    6   0.263503   0.096328  -0.107106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038512   0.089667   0.183897
-    0SOL     H2    2   0.018350   0.153115   0.115120
-    0SOL     H3    3   0.069544   0.142802   0.257218
-    1SOL     O4    4  -0.036431  -0.090366  -0.186894
-    1SOL     H5    5  -0.130374  -0.106960  -0.179043
-    1SOL     H6    6   0.004861  -0.165838  -0.144926
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116418  -0.026276   0.172350
-    0SOL     H2    2   0.201781  -0.068746   0.163877
-    0SOL     H3    3   0.133811   0.066235   0.154983
-    1SOL     O4    4  -0.124562   0.028542  -0.165995
-    1SOL     H5    5  -0.121380  -0.066397  -0.154215
-    1SOL     H6    6  -0.091705   0.042825  -0.254757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103137   0.065370   0.178046
-    0SOL     H2    2  -0.044945   0.140089   0.164149
-    0SOL     H3    3  -0.051625   0.004317   0.230784
-    1SOL     O4    4   0.099002  -0.062358  -0.176845
-    1SOL     H5    5   0.015018  -0.104249  -0.158025
-    1SOL     H6    6   0.128540  -0.103281  -0.258179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036693   0.150833   0.142094
-    0SOL     H2    2  -0.025818   0.239678   0.176015
-    0SOL     H3    3  -0.086998   0.105346   0.209642
-    1SOL     O4    4   0.043099  -0.156281  -0.143246
-    1SOL     H5    5   0.033990  -0.062231  -0.158542
-    1SOL     H6    6  -0.013802  -0.196854  -0.208656
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033672   0.088975  -0.199666
-    0SOL     H2    2  -0.113839   0.101648  -0.148923
-    0SOL     H3    3   0.018168   0.167629  -0.182682
-    1SOL     O4    4   0.030259  -0.098111   0.197113
-    1SOL     H5    5   0.104671  -0.118955   0.140628
-    1SOL     H6    6   0.047575  -0.009093   0.227744
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021194   0.207306   0.095603
-    0SOL     H2    2  -0.067443   0.237794   0.076207
-    0SOL     H3    3   0.057957   0.184513   0.010214
-    1SOL     O4    4  -0.018385  -0.212388  -0.094823
-    1SOL     H5    5   0.049472  -0.149840  -0.069415
-    1SOL     H6    6  -0.090372  -0.195738  -0.033971
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091884   0.169543  -0.113689
-    0SOL     H2    2  -0.128087   0.225548  -0.045022
-    0SOL     H3    3  -0.084670   0.226811  -0.190047
-    1SOL     O4    4   0.091337  -0.180630   0.116508
-    1SOL     H5    5   0.069208  -0.088501   0.130108
-    1SOL     H6    6   0.159472  -0.179275   0.049292
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001678   0.218612   0.096644
-    0SOL     H2    2  -0.047245   0.221505   0.012515
-    0SOL     H3    3   0.087308   0.247734   0.076753
-    1SOL     O4    4   0.004514  -0.216783  -0.093285
-    1SOL     H5    5  -0.063297  -0.194146  -0.029633
-    1SOL     H6    6  -0.020107  -0.303800  -0.124657
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.173566   0.154199  -0.072444
-    0SOL     H2    2   0.200738   0.234290  -0.027616
-    0SOL     H3    3   0.189563   0.084486  -0.008832
-    1SOL     O4    4  -0.172411  -0.154745   0.061771
-    1SOL     H5    5  -0.196300  -0.231186   0.114195
-    1SOL     H6    6  -0.213191  -0.080912   0.107027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034235   0.209294  -0.115697
-    0SOL     H2    2  -0.010364   0.252773  -0.188380
-    0SOL     H3    3   0.125250   0.201855  -0.144389
-    1SOL     O4    4  -0.035617  -0.215470   0.116559
-    1SOL     H5    5  -0.065237  -0.124696   0.109850
-    1SOL     H6    6  -0.027199  -0.231078   0.210623
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109569  -0.072355  -0.208560
-    0SOL     H2    2   0.153565  -0.093457  -0.126211
-    0SOL     H3    3   0.171245  -0.015676  -0.254883
-    1SOL     O4    4  -0.109105   0.069735   0.204211
-    1SOL     H5    5  -0.180993   0.123929   0.171692
-    1SOL     H6    6  -0.144212   0.027971   0.282859
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077858   0.152501   0.185532
-    0SOL     H2    2   0.132892   0.087489   0.141862
-    0SOL     H3    3   0.004849   0.101993   0.221320
-    1SOL     O4    4  -0.075604  -0.149936  -0.190310
-    1SOL     H5    5  -0.149575  -0.090984  -0.175637
-    1SOL     H6    6  -0.019280  -0.137231  -0.113966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.131526  -0.138651  -0.161971
-    0SOL     H2    2  -0.062464  -0.179985  -0.213781
-    0SOL     H3    3  -0.171135  -0.210697  -0.112953
-    1SOL     O4    4   0.130944   0.139305   0.159333
-    1SOL     H5    5   0.143310   0.226868   0.122697
-    1SOL     H6    6   0.095063   0.154703   0.246727
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028076   0.092039  -0.236004
-    0SOL     H2    2  -0.103849   0.104145  -0.293225
-    0SOL     H3    3  -0.062907   0.102685  -0.147484
-    1SOL     O4    4   0.034859  -0.088621   0.237717
-    1SOL     H5    5   0.095398  -0.162627   0.233186
-    1SOL     H6    6  -0.031413  -0.107729   0.171345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.217794   0.051777  -0.141862
-    0SOL     H2    2  -0.127696   0.070752  -0.168026
-    0SOL     H3    3  -0.259961   0.137574  -0.137047
-    1SOL     O4    4   0.217549  -0.054325   0.147241
-    1SOL     H5    5   0.158218  -0.030945   0.075858
-    1SOL     H6    6   0.227515  -0.149253   0.140047
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075234   0.199371  -0.175965
-    0SOL     H2    2   0.093282   0.255439  -0.100513
-    0SOL     H3    3   0.023903   0.254458  -0.235066
-    1SOL     O4    4  -0.077699  -0.202535   0.170154
-    1SOL     H5    5   0.000578  -0.159830   0.204957
-    1SOL     H6    6  -0.085275  -0.283540   0.220583
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031064  -0.173942  -0.243424
-    0SOL     H2    2   0.032380  -0.082585  -0.214885
-    0SOL     H3    3   0.042999  -0.169621  -0.338299
-    1SOL     O4    4  -0.030033   0.169663   0.241167
-    1SOL     H5    5  -0.114758   0.137592   0.272075
-    1SOL     H6    6   0.021315   0.182502   0.320923
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041066  -0.275168  -0.158164
-    0SOL     H2    2  -0.036839  -0.328547  -0.142553
-    0SOL     H3    3   0.077603  -0.259969  -0.071006
-    1SOL     O4    4  -0.039116   0.270134   0.153135
-    1SOL     H5    5  -0.100877   0.338999   0.177742
-    1SOL     H6    6   0.031957   0.316385   0.108730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004723  -0.344950   0.003615
-    0SOL     H2    2  -0.090918  -0.344471   0.007459
-    0SOL     H3    3   0.025081  -0.379981  -0.083106
-    1SOL     O4    4  -0.000575   0.351002   0.005683
-    1SOL     H5    5   0.026444   0.358648  -0.085826
-    1SOL     H6    6  -0.031225   0.260722   0.014193
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097083  -0.089334   0.321540
-    0SOL     H2    2   0.153924  -0.016612   0.296184
-    0SOL     H3    3   0.093543  -0.084841   0.417089
-    1SOL     O4    4  -0.096020   0.083135  -0.321324
-    1SOL     H5    5  -0.093660   0.151735  -0.388038
-    1SOL     H6    6  -0.179906   0.039138  -0.335099
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023160  -0.396349   0.181784
-    0SOL     H2    2  -0.032638  -0.432172   0.112751
-    0SOL     H3    3   0.106283  -0.442789   0.171973
-    1SOL     O4    4  -0.025533   0.403383  -0.170164
-    1SOL     H5    5   0.054666   0.377477  -0.215545
-    1SOL     H6    6  -0.093930   0.397101  -0.236832
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.309198  -0.270368   0.278299
-    0SOL     H2    2  -0.242955  -0.243862   0.214491
-    0SOL     H3    3  -0.307452  -0.201476   0.344730
-    1SOL     O4    4   0.301369   0.263531  -0.274221
-    1SOL     H5    5   0.360914   0.206438  -0.322772
-    1SOL     H6    6   0.320233   0.351418  -0.307120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.282685  -0.180169  -0.394725
-    0SOL     H2    2  -0.255198  -0.190285  -0.303596
-    0SOL     H3    3  -0.210691  -0.132807  -0.436391
-    1SOL     O4    4   0.281606   0.180470   0.387537
-    1SOL     H5    5   0.194364   0.146471   0.367659
-    1SOL     H6    6   0.289378   0.172507   0.482608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.475617   0.102239  -0.205250
-    0SOL     H2    2  -0.504854   0.093803  -0.114496
-    0SOL     H3    3  -0.435125   0.188871  -0.209464
-    1SOL     O4    4   0.470822  -0.112044   0.199165
-    1SOL     H5    5   0.449122  -0.019155   0.191219
-    1SOL     H6    6   0.562262  -0.112993   0.227454
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.323337  -0.379603  -0.701422
-    0SOL     H2    2  -0.288483  -0.366307  -0.789574
-    0SOL     H3    3  -0.263597  -0.331168  -0.644436
-    1SOL     O4    4   0.322479   0.380542   0.702305
-    1SOL     H5    5   0.238364   0.388978   0.747202
-    1SOL     H6    6   0.323282   0.290607   0.669543
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.843467   0.257505   0.295011
-    0SOL     H2    2   0.844003   0.333404   0.236690
-    0SOL     H3    3   0.753076   0.226097   0.292696
-    1SOL     O4    4  -0.840710  -0.253024  -0.292728
-    1SOL     H5    5  -0.894871  -0.330845  -0.305876
-    1SOL     H6    6  -0.754418  -0.287454  -0.269695
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.659395  -0.738870  -0.234141
-    0SOL     H2    2  -0.729425  -0.689736  -0.277083
-    0SOL     H3    3  -0.584199  -0.679659  -0.235527
-    1SOL     O4    4   0.656803   0.735561   0.242196
-    1SOL     H5    5   0.708483   0.655341   0.234703
-    1SOL     H6    6   0.648465   0.767227   0.152251
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057551  -0.017849   0.116396
-    0SOL     H2    2  -0.006048  -0.026432   0.196621
-    0SOL     H3    3   0.004346   0.015870   0.051633
-    1SOL     O4    4   0.054384   0.015241  -0.112002
-    1SOL     H5    5  -0.033686  -0.013742  -0.135794
-    1SOL     H6    6   0.083794   0.066785  -0.187106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042421  -0.059086  -0.100254
-    0SOL     H2    2  -0.114937  -0.023281  -0.151457
-    0SOL     H3    3  -0.041450  -0.152309  -0.121955
-    1SOL     O4    4   0.042577   0.067619   0.105017
-    1SOL     H5    5   0.030076  -0.006707   0.046011
-    1SOL     H6    6   0.122944   0.047086   0.152785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093485   0.101013  -0.012309
-    0SOL     H2    2  -0.003202   0.082539  -0.038194
-    0SOL     H3    3  -0.135141   0.014970  -0.007443
-    1SOL     O4    4   0.087386  -0.096804   0.008347
-    1SOL     H5    5   0.050175  -0.078238   0.094562
-    1SOL     H6    6   0.180410  -0.076148   0.017404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028721  -0.048122   0.114599
-    0SOL     H2    2   0.120291  -0.040561   0.141435
-    0SOL     H3    3   0.009153  -0.141521   0.122084
-    1SOL     O4    4  -0.027541   0.055315  -0.120554
-    1SOL     H5    5  -0.120287   0.048137  -0.143116
-    1SOL     H6    6  -0.022244   0.023560  -0.030410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054901   0.046678   0.103311
-    0SOL     H2    2  -0.040167  -0.015956   0.174179
-    0SOL     H3    3  -0.096165   0.121823   0.145889
-    1SOL     O4    4   0.053030  -0.050961  -0.113962
-    1SOL     H5    5   0.024895  -0.006476  -0.034013
-    1SOL     H6    6   0.145504  -0.027939  -0.122961
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001348  -0.115400   0.063372
-    0SOL     H2    2   0.077810  -0.131440   0.008068
-    0SOL     H3    3  -0.067123  -0.171150   0.026412
-    1SOL     O4    4   0.001480   0.123212  -0.062867
-    1SOL     H5    5  -0.012623   0.152361   0.027209
-    1SOL     H6    6  -0.039458   0.036778  -0.066809
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061068  -0.026281   0.113867
-    0SOL     H2    2   0.015027  -0.109993   0.119760
-    0SOL     H3    3   0.028330   0.024397   0.188179
-    1SOL     O4    4  -0.053806   0.029035  -0.125758
-    1SOL     H5    5  -0.144246   0.019605  -0.095859
-    1SOL     H6    6  -0.001381   0.023072  -0.045893
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034672   0.121338   0.037392
-    0SOL     H2    2  -0.036245   0.181096   0.013685
-    0SOL     H3    3   0.029785   0.114937   0.132773
-    1SOL     O4    4  -0.036266  -0.125122  -0.042779
-    1SOL     H5    5   0.008299  -0.051400  -0.001051
-    1SOL     H6    6   0.034346  -0.184401  -0.068514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055895  -0.084807   0.086687
-    0SOL     H2    2  -0.095342   0.000564   0.104518
-    0SOL     H3    3  -0.130425  -0.143851   0.075671
-    1SOL     O4    4   0.068140   0.085481  -0.090140
-    1SOL     H5    5   0.059889   0.006573  -0.036588
-    1SOL     H6    6  -0.019309   0.124391  -0.089176
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099194  -0.022523  -0.087860
-    0SOL     H2    2  -0.162381  -0.007371  -0.017574
-    0SOL     H3    3  -0.106775   0.054637  -0.143994
-    1SOL     O4    4   0.106485   0.022602   0.083990
-    1SOL     H5    5   0.116657  -0.013146   0.172200
-    1SOL     H6    6   0.038128  -0.031185   0.044033
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045769  -0.095574  -0.083705
-    0SOL     H2    2   0.140693  -0.084653  -0.089417
-    0SOL     H3    3   0.032698  -0.152728  -0.008042
-    1SOL     O4    4  -0.057300   0.100641   0.082023
-    1SOL     H5    5   0.022304   0.152387   0.069859
-    1SOL     H6    6  -0.035422   0.014332   0.046887
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067137   0.122778  -0.014295
-    0SOL     H2    2  -0.000484   0.054144  -0.017323
-    0SOL     H3    3  -0.066498   0.160744  -0.102162
-    1SOL     O4    4   0.060643  -0.119347   0.014086
-    1SOL     H5    5   0.017181  -0.145902   0.095130
-    1SOL     H6    6   0.154095  -0.124862   0.034050
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071622   0.124637   0.009285
-    0SOL     H2    2  -0.007853   0.150114   0.075969
-    0SOL     H3    3  -0.030442   0.051393  -0.036561
-    1SOL     O4    4   0.063645  -0.115555  -0.011093
-    1SOL     H5    5   0.140512  -0.146246   0.036989
-    1SOL     H6    6   0.022420  -0.195446  -0.043959
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066639   0.091929  -0.074771
-    0SOL     H2    2   0.156413   0.097817  -0.042086
-    0SOL     H3    3   0.075310   0.053259  -0.161902
-    1SOL     O4    4  -0.073430  -0.085129   0.082532
-    1SOL     H5    5  -0.104711  -0.175387   0.076421
-    1SOL     H6    6  -0.013884  -0.075284   0.008238
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104065   0.089618   0.032869
-    0SOL     H2    2  -0.042645   0.034772  -0.015936
-    0SOL     H3    3  -0.171393   0.112971  -0.031037
-    1SOL     O4    4   0.104353  -0.081941  -0.029184
-    1SOL     H5    5   0.118740  -0.163463  -0.077240
-    1SOL     H6    6   0.095641  -0.109153   0.062172
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055154  -0.041816  -0.115141
-    0SOL     H2    2   0.070453  -0.124806  -0.160318
-    0SOL     H3    3   0.041623   0.021666  -0.185492
-    1SOL     O4    4  -0.061549   0.043900   0.120908
-    1SOL     H5    5  -0.001176   0.085172   0.182666
-    1SOL     H6    6  -0.006811  -0.016185   0.070354
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065762   0.124780  -0.038859
-    0SOL     H2    2  -0.002576   0.057767  -0.037710
-    0SOL     H3    3   0.086963   0.139021   0.053391
-    1SOL     O4    4  -0.057431  -0.118179   0.031415
-    1SOL     H5    5  -0.086056  -0.204058   0.000305
-    1SOL     H6    6  -0.124269  -0.092107   0.094782
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104947  -0.002911  -0.103128
-    0SOL     H2    2   0.161687  -0.002640  -0.026038
-    0SOL     H3    3   0.016622   0.008217  -0.067957
-    1SOL     O4    4  -0.097006   0.002028   0.095452
-    1SOL     H5    5  -0.164472  -0.061977   0.072780
-    1SOL     H6    6  -0.143626   0.069644   0.144614
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102953  -0.038208   0.091716
-    0SOL     H2    2  -0.124839   0.054767   0.085465
-    0SOL     H3    3  -0.029541  -0.041510   0.153053
-    1SOL     O4    4   0.099251   0.035987  -0.100045
-    1SOL     H5    5   0.030792  -0.006058  -0.048008
-    1SOL     H6    6   0.180701   0.013921  -0.054864
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130144  -0.038188   0.015911
-    0SOL     H2    2  -0.159906  -0.071973   0.100380
-    0SOL     H3    3  -0.168745  -0.097452  -0.048588
-    1SOL     O4    4   0.139056   0.039569  -0.014690
-    1SOL     H5    5   0.145496   0.130873  -0.042701
-    1SOL     H6    6   0.046579   0.017516  -0.025827
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126440  -0.043885   0.031936
-    0SOL     H2    2  -0.139887   0.027562   0.094200
-    0SOL     H3    3  -0.212127  -0.056705  -0.008753
-    1SOL     O4    4   0.135790   0.043744  -0.027714
-    1SOL     H5    5   0.058740  -0.012668  -0.021125
-    1SOL     H6    6   0.155075   0.047181  -0.121409
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016224   0.051897   0.135542
-    0SOL     H2    2   0.089369   0.008597   0.179555
-    0SOL     H3    3   0.019039   0.018548   0.045863
-    1SOL     O4    4  -0.019418  -0.045966  -0.126434
-    1SOL     H5    5  -0.086779  -0.011867  -0.185273
-    1SOL     H6    6   0.029924  -0.108151  -0.179920
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077665   0.066905  -0.093992
-    0SOL     H2    2  -0.011541   0.040324  -0.157894
-    0SOL     H3    3  -0.094560   0.159008  -0.113839
-    1SOL     O4    4   0.079526  -0.074543   0.096164
-    1SOL     H5    5   0.085223  -0.023909   0.177195
-    1SOL     H6    6  -0.007882  -0.055544   0.062088
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060395   0.076919  -0.096748
-    0SOL     H2    2   0.145712   0.096768  -0.135341
-    0SOL     H3    3   0.018365   0.162273  -0.086242
-    1SOL     O4    4  -0.063984  -0.090012   0.101373
-    1SOL     H5    5  -0.111751  -0.007946   0.113452
-    1SOL     H6    6   0.006010  -0.068205   0.039829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061382   0.101051  -0.086733
-    0SOL     H2    2   0.041171   0.021710  -0.037147
-    0SOL     H3    3   0.149934   0.086604  -0.120083
-    1SOL     O4    4  -0.061120  -0.091762   0.080627
-    1SOL     H5    5  -0.091949  -0.059050   0.165136
-    1SOL     H6    6  -0.095810  -0.180814   0.075261
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066304  -0.127346  -0.045228
-    0SOL     H2    2  -0.018613  -0.130087  -0.089319
-    0SOL     H3    3   0.068336  -0.041787  -0.002359
-    1SOL     O4    4  -0.056927   0.124832   0.048964
-    1SOL     H5    5  -0.066902   0.131551  -0.045997
-    1SOL     H6    6  -0.128281   0.067315   0.076581
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024754   0.138110  -0.054809
-    0SOL     H2    2   0.063253   0.148259  -0.018560
-    0SOL     H3    3  -0.038066   0.043429  -0.059355
-    1SOL     O4    4   0.019337  -0.131304   0.046394
-    1SOL     H5    5  -0.038353  -0.182572   0.103015
-    1SOL     H6    6   0.091947  -0.105494   0.103175
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084764   0.114160   0.040879
-    0SOL     H2    2  -0.031260   0.054997  -0.012030
-    0SOL     H3    3  -0.167568   0.120652  -0.006700
-    1SOL     O4    4   0.080310  -0.114869  -0.034041
-    1SOL     H5    5   0.163867  -0.132534   0.009185
-    1SOL     H6    6   0.097465  -0.038497  -0.089135
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020998   0.047287   0.144197
-    0SOL     H2    2  -0.067089  -0.014543   0.087496
-    0SOL     H3    3   0.057723   0.070800   0.095080
-    1SOL     O4    4   0.016589  -0.046122  -0.132169
-    1SOL     H5    5  -0.012677   0.013190  -0.201363
-    1SOL     H6    6   0.095087  -0.087709  -0.167820
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008041   0.142764  -0.012727
-    0SOL     H2    2  -0.066685   0.197480  -0.036904
-    0SOL     H3    3   0.023456   0.162642   0.079628
-    1SOL     O4    4  -0.010952  -0.149694   0.007889
-    1SOL     H5    5   0.066199  -0.193646   0.043641
-    1SOL     H6    6   0.018868  -0.060818  -0.011455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016256  -0.008532  -0.141811
-    0SOL     H2    2  -0.002621   0.073316  -0.187713
-    0SOL     H3    3   0.096898  -0.040633  -0.182168
-    1SOL     O4    4  -0.020652   0.001585   0.150212
-    1SOL     H5    5  -0.037418   0.001683   0.055972
-    1SOL     H6    6   0.020518   0.086282   0.167352
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124547  -0.060687  -0.061585
-    0SOL     H2    2   0.029866  -0.047244  -0.057448
-    0SOL     H3    3   0.138466  -0.146111  -0.020702
-    1SOL     O4    4  -0.119521   0.059027   0.055476
-    1SOL     H5    5  -0.054171   0.127046   0.071756
-    1SOL     H6    6  -0.194075   0.083795   0.110163
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006654  -0.064539  -0.130388
-    0SOL     H2    2   0.069643  -0.121651  -0.121487
-    0SOL     H3    3  -0.075769  -0.121826  -0.163608
-    1SOL     O4    4   0.007601   0.066822   0.136950
-    1SOL     H5    5  -0.018492   0.028283   0.053307
-    1SOL     H6    6   0.006854   0.161226   0.121150
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070912  -0.091750   0.092842
-    0SOL     H2    2  -0.010784  -0.166224   0.092082
-    0SOL     H3    3  -0.131536  -0.109116   0.020831
-    1SOL     O4    4   0.069973   0.093227  -0.092879
-    1SOL     H5    5   0.020725   0.102393  -0.011313
-    1SOL     H6    6   0.142532   0.155048  -0.084179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061968  -0.115035  -0.066073
-    0SOL     H2    2  -0.059146  -0.141939  -0.157891
-    0SOL     H3    3  -0.150076  -0.079577  -0.054152
-    1SOL     O4    4   0.065527   0.117648   0.076158
-    1SOL     H5    5   0.129254   0.131340   0.006060
-    1SOL     H6    6   0.004448   0.052998   0.040774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124771   0.041144  -0.077760
-    0SOL     H2    2   0.209969   0.049888  -0.035015
-    0SOL     H3    3   0.064959   0.016435  -0.007232
-    1SOL     O4    4  -0.120919  -0.041074   0.075871
-    1SOL     H5    5  -0.120566  -0.056291  -0.018631
-    1SOL     H6    6  -0.210118  -0.012224   0.095200
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011893   0.150091  -0.034790
-    0SOL     H2    2   0.103802   0.166416  -0.055967
-    0SOL     H3    3   0.007703   0.056148  -0.016916
-    1SOL     O4    4  -0.018654  -0.138744   0.033694
-    1SOL     H5    5  -0.047285  -0.218755  -0.010360
-    1SOL     H6    6   0.046827  -0.168294   0.096950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090392  -0.086115   0.075181
-    0SOL     H2    2   0.148716  -0.108732   0.147631
-    0SOL     H3    3   0.142371  -0.102544  -0.003500
-    1SOL     O4    4  -0.097199   0.091559  -0.081294
-    1SOL     H5    5  -0.027127   0.102240  -0.016966
-    1SOL     H6    6  -0.159569   0.032370  -0.039237
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.132830  -0.030073   0.079099
-    0SOL     H2    2   0.046460   0.005652   0.058454
-    0SOL     H3    3   0.152890  -0.088246   0.005778
-    1SOL     O4    4  -0.129683   0.024929  -0.071192
-    1SOL     H5    5  -0.123711   0.109798  -0.027331
-    1SOL     H6    6  -0.128248   0.046009  -0.164550
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071141   0.113469  -0.084484
-    0SOL     H2    2  -0.013523   0.069213  -0.078509
-    0SOL     H3    3   0.123341   0.057724  -0.142190
-    1SOL     O4    4  -0.066310  -0.104731   0.081908
-    1SOL     H5    5  -0.112130  -0.066034   0.156510
-    1SOL     H6    6  -0.070700  -0.199093   0.097367
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139657   0.046248  -0.038001
-    0SOL     H2    2   0.127563   0.118558   0.023540
-    0SOL     H3    3   0.173944   0.087629  -0.117212
-    1SOL     O4    4  -0.144718  -0.058068   0.041979
-    1SOL     H5    5  -0.176491   0.017705  -0.007124
-    1SOL     H6    6  -0.049791  -0.046291   0.045512
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044300   0.148896   0.017790
-    0SOL     H2    2   0.002596   0.200649   0.083247
-    0SOL     H3    3   0.010898   0.153247  -0.060290
-    1SOL     O4    4   0.032571  -0.154434  -0.017006
-    1SOL     H5    5   0.115162  -0.200790  -0.003141
-    1SOL     H6    6   0.058219  -0.063195  -0.030419
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019770  -0.112010  -0.118540
-    0SOL     H2    2  -0.076195  -0.159875  -0.057816
-    0SOL     H3    3  -0.016467  -0.023105  -0.083221
-    1SOL     O4    4   0.022100   0.113101   0.107758
-    1SOL     H5    5  -0.032285   0.101236   0.185629
-    1SOL     H6    6   0.095814   0.053415   0.120645
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065711   0.110299   0.107253
-    0SOL     H2    2  -0.012033   0.070125   0.068470
-    0SOL     H3    3   0.138822   0.074831   0.056666
-    1SOL     O4    4  -0.062945  -0.102833  -0.096161
-    1SOL     H5    5  -0.090750  -0.193932  -0.105661
-    1SOL     H6    6  -0.084202  -0.062359  -0.180258
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.151832   0.038804   0.043966
-    0SOL     H2    2  -0.062121   0.016587   0.068879
-    0SOL     H3    3  -0.176578   0.109333   0.103762
-    1SOL     O4    4   0.142686  -0.037531  -0.050735
-    1SOL     H5    5   0.163725  -0.129916  -0.064321
-    1SOL     H6    6   0.215628  -0.003691   0.001194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111794   0.011895   0.118559
-    0SOL     H2    2  -0.095919   0.044754   0.207049
-    0SOL     H3    3  -0.030156   0.028999   0.071602
-    1SOL     O4    4   0.106144  -0.018991  -0.115911
-    1SOL     H5    5   0.134098   0.071970  -0.105568
-    1SOL     H6    6   0.085631  -0.027352  -0.209032
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066838  -0.116921   0.092113
-    0SOL     H2    2   0.016873  -0.196785   0.109070
-    0SOL     H3    3   0.063670  -0.106365  -0.002970
-    1SOL     O4    4  -0.064932   0.119713  -0.081739
-    1SOL     H5    5  -0.125951   0.147939  -0.149873
-    1SOL     H6    6   0.018148   0.107212  -0.127606
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148558   0.014250   0.055703
-    0SOL     H2    2   0.232392   0.016293   0.101855
-    0SOL     H3    3   0.127863   0.106282   0.039447
-    1SOL     O4    4  -0.153933  -0.013761  -0.056409
-    1SOL     H5    5  -0.065723  -0.039374  -0.083339
-    1SOL     H6    6  -0.200387  -0.096599  -0.044485
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061617   0.129402   0.089797
-    0SOL     H2    2  -0.066217   0.102712  -0.002012
-    0SOL     H3    3   0.031607   0.125763   0.111205
-    1SOL     O4    4   0.056302  -0.121817  -0.087531
-    1SOL     H5    5  -0.013170  -0.170596  -0.043299
-    1SOL     H6    6   0.128424  -0.184295  -0.095090
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090067  -0.103739   0.098837
-    0SOL     H2    2   0.178666  -0.080971   0.070653
-    0SOL     H3    3   0.038172  -0.025435   0.080460
-    1SOL     O4    4  -0.088431   0.097749  -0.090906
-    1SOL     H5    5  -0.059655   0.080728  -0.180597
-    1SOL     H6    6  -0.177813   0.130709  -0.100227
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036041  -0.141992  -0.072323
-    0SOL     H2    2  -0.123609  -0.171834  -0.096892
-    0SOL     H3    3  -0.017521  -0.187153   0.010017
-    1SOL     O4    4   0.040682   0.148501   0.074915
-    1SOL     H5    5   0.113500   0.110236   0.025969
-    1SOL     H6    6  -0.033555   0.144372   0.014631
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069699  -0.161975  -0.063814
-    0SOL     H2    2   0.060640  -0.199756   0.023666
-    0SOL     H3    3   0.015314  -0.083234  -0.061698
-    1SOL     O4    4  -0.068092   0.155316   0.054224
-    1SOL     H5    5   0.020177   0.178784   0.082863
-    1SOL     H6    6  -0.125953   0.209096   0.108281
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.183370  -0.080800   0.000342
-    0SOL     H2    2   0.172224   0.013134   0.014987
-    0SOL     H3    3   0.096010  -0.117664   0.013440
-    1SOL     O4    4  -0.183626   0.080301   0.000489
-    1SOL     H5    5  -0.142086  -0.002015   0.026197
-    1SOL     H6    6  -0.127129   0.115186  -0.068456
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110269   0.158923   0.043432
-    0SOL     H2    2   0.043602   0.092750   0.061841
-    0SOL     H3    3   0.106421   0.218360   0.118364
-    1SOL     O4    4  -0.108448  -0.158631  -0.042970
-    1SOL     H5    5  -0.037327  -0.214179  -0.074883
-    1SOL     H6    6  -0.134217  -0.106564  -0.119044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099450  -0.121627   0.120148
-    0SOL     H2    2  -0.184441  -0.163587   0.133493
-    0SOL     H3    3  -0.049717  -0.142464   0.199235
-    1SOL     O4    4   0.106500   0.125376  -0.120357
-    1SOL     H5    5   0.112678   0.152886  -0.211830
-    1SOL     H6    6   0.016678   0.093695  -0.110839
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102181   0.174015  -0.034029
-    0SOL     H2    2  -0.038590   0.229165  -0.079603
-    0SOL     H3    3  -0.182283   0.226380  -0.032025
-    1SOL     O4    4   0.103801  -0.175958   0.031336
-    1SOL     H5    5   0.082886  -0.157663   0.122934
-    1SOL     H6    6   0.112279  -0.271212   0.027218
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038231   0.207194  -0.038968
-    0SOL     H2    2   0.120421   0.213771  -0.087587
-    0SOL     H3    3   0.037935   0.117978  -0.004289
-    1SOL     O4    4  -0.046539  -0.203264   0.046686
-    1SOL     H5    5   0.040882  -0.235386   0.024594
-    1SOL     H6    6  -0.078744  -0.163696  -0.034304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116724   0.013876  -0.173535
-    0SOL     H2    2   0.197521  -0.036673  -0.182421
-    0SOL     H3    3   0.048780  -0.042883  -0.209928
-    1SOL     O4    4  -0.115878  -0.009045   0.182547
-    1SOL     H5    5  -0.169459  -0.061114   0.122712
-    1SOL     H6    6  -0.090224   0.067601   0.131267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076885   0.149078  -0.142875
-    0SOL     H2    2  -0.054006   0.234625  -0.106537
-    0SOL     H3    3  -0.102523   0.096808  -0.066896
-    1SOL     O4    4   0.081231  -0.150213   0.140963
-    1SOL     H5    5   0.076730  -0.223345   0.079370
-    1SOL     H6    6   0.011059  -0.091247   0.113374
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119453   0.186653   0.025598
-    0SOL     H2    2  -0.148804   0.131982  -0.047285
-    0SOL     H3    3  -0.097811   0.270746  -0.014680
-    1SOL     O4    4   0.122841  -0.193810  -0.018116
-    1SOL     H5    5   0.150775  -0.121885  -0.074762
-    1SOL     H6    6   0.044706  -0.160590   0.026086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.192424   0.113923   0.005682
-    0SOL     H2    2  -0.128967   0.158880   0.061488
-    0SOL     H3    3  -0.200020   0.169672  -0.071756
-    1SOL     O4    4   0.192392  -0.125953  -0.002658
-    1SOL     H5    5   0.239203  -0.043169  -0.013511
-    1SOL     H6    6   0.100447  -0.103607  -0.017119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.156167   0.136067  -0.067497
-    0SOL     H2    2  -0.165160   0.121444  -0.161665
-    0SOL     H3    3  -0.224044   0.200237  -0.046585
-    1SOL     O4    4   0.155243  -0.143891   0.071098
-    1SOL     H5    5   0.146012  -0.048631   0.072672
-    1SOL     H6    6   0.249368  -0.159028   0.079684
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068420   0.027432   0.214496
-    0SOL     H2    2  -0.022179  -0.046511   0.253947
-    0SOL     H3    3  -0.003994   0.098217   0.213424
-    1SOL     O4    4   0.067524  -0.028006  -0.221063
-    1SOL     H5    5  -0.005232   0.034161  -0.223110
-    1SOL     H6    6   0.054573  -0.077449  -0.140131
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033021  -0.218343   0.038279
-    0SOL     H2    2  -0.060812  -0.169856   0.115990
-    0SOL     H3    3   0.004739  -0.299277   0.072720
-    1SOL     O4    4   0.032830   0.217972  -0.039565
-    1SOL     H5    5  -0.040811   0.268451  -0.074079
-    1SOL     H6    6   0.095338   0.214158  -0.111956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.230691   0.028883  -0.034653
-    0SOL     H2    2   0.262147   0.093332   0.028743
-    0SOL     H3    3   0.169736   0.077559  -0.090128
-    1SOL     O4    4  -0.230097  -0.031416   0.028785
-    1SOL     H5    5  -0.259871  -0.122237   0.034024
-    1SOL     H6    6  -0.184916  -0.016147   0.111778
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.103142  -0.071132  -0.198531
-    0SOL     H2    2   0.108018  -0.119299  -0.281106
-    0SOL     H3    3   0.016182  -0.031133  -0.199179
-    1SOL     O4    4  -0.096353   0.072180   0.197190
-    1SOL     H5    5  -0.159712   0.127683   0.242659
-    1SOL     H6    6  -0.073022   0.004967   0.261225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040636   0.212814  -0.101734
-    0SOL     H2    2  -0.106515   0.257090  -0.048237
-    0SOL     H3    3   0.031795   0.275164  -0.107082
-    1SOL     O4    4   0.041736  -0.224990   0.098130
-    1SOL     H5    5   0.003882  -0.181540   0.174559
-    1SOL     H6    6   0.056459  -0.154367   0.035217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037563  -0.156383  -0.198349
-    0SOL     H2    2   0.056479  -0.140372  -0.105893
-    0SOL     H3    3   0.051501  -0.071688  -0.240714
-    1SOL     O4    4  -0.039860   0.146672   0.190791
-    1SOL     H5    5   0.021407   0.219293   0.202403
-    1SOL     H6    6  -0.092967   0.147110   0.270426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002134   0.180185   0.195606
-    0SOL     H2    2  -0.054512   0.260083   0.201535
-    0SOL     H3    3   0.087937   0.209450   0.209501
-    1SOL     O4    4   0.002841  -0.181730  -0.193309
-    1SOL     H5    5  -0.038704  -0.174312  -0.279223
-    1SOL     H6    6  -0.006885  -0.274016  -0.169836
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067486   0.246139  -0.177917
-    0SOL     H2    2  -0.086721   0.267586  -0.086635
-    0SOL     H3    3  -0.122819   0.170386  -0.196944
-    1SOL     O4    4   0.066994  -0.240908   0.170118
-    1SOL     H5    5   0.143499  -0.290484   0.140936
-    1SOL     H6    6   0.079017  -0.231650   0.264628
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077358  -0.299684   0.030634
-    0SOL     H2    2  -0.020012  -0.327121  -0.040927
-    0SOL     H3    3  -0.165928  -0.312214  -0.003437
-    1SOL     O4    4   0.084540   0.304960  -0.023151
-    1SOL     H5    5   0.074712   0.220921  -0.067909
-    1SOL     H6    6  -0.005100   0.336097  -0.010606
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107540  -0.297353  -0.058596
-    0SOL     H2    2  -0.025504  -0.271766  -0.100760
-    0SOL     H3    3  -0.108234  -0.392946  -0.063476
-    1SOL     O4    4   0.103413   0.296341   0.056612
-    1SOL     H5    5   0.173722   0.357425   0.078697
-    1SOL     H6    6   0.031046   0.321244   0.114103
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079980  -0.182388   0.265177
-    0SOL     H2    2  -0.151205  -0.226995   0.310996
-    0SOL     H3    3  -0.117604  -0.098647   0.238081
-    1SOL     O4    4   0.085362   0.174010  -0.263506
-    1SOL     H5    5   0.020803   0.222452  -0.314962
-    1SOL     H6    6   0.159876   0.233648  -0.256206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135502  -0.022077   0.337578
-    0SOL     H2    2   0.186820   0.044166   0.291311
-    0SOL     H3    3   0.087730  -0.067993   0.268499
-    1SOL     O4    4  -0.130919   0.025180  -0.328515
-    1SOL     H5    5  -0.223406   0.027876  -0.303993
-    1SOL     H6    6  -0.123335  -0.051618  -0.385144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088546  -0.078601  -0.342136
-    0SOL     H2    2   0.133006  -0.102355  -0.260764
-    0SOL     H3    3   0.135760  -0.126598  -0.410175
-    1SOL     O4    4  -0.094698   0.083344   0.347437
-    1SOL     H5    5  -0.149569   0.132285   0.286149
-    1SOL     H6    6  -0.035810   0.032548   0.291632
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121975   0.328509   0.124449
-    0SOL     H2    2   0.161813   0.319421   0.211009
-    0SOL     H3    3   0.040464   0.376083   0.140420
-    1SOL     O4    4  -0.114491  -0.328580  -0.133528
-    1SOL     H5    5  -0.205331  -0.299272  -0.140702
-    1SOL     H6    6  -0.114899  -0.390318  -0.060381
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030059   0.313107   0.248581
-    0SOL     H2    2  -0.092452   0.360309   0.303731
-    0SOL     H3    3  -0.059790   0.222157   0.251135
-    1SOL     O4    4   0.036294  -0.314272  -0.257014
-    1SOL     H5    5  -0.030476  -0.320117  -0.188676
-    1SOL     H6    6   0.090304  -0.239490  -0.231461
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076283  -0.067993   0.407894
-    0SOL     H2    2   0.059897   0.005062   0.348255
-    0SOL     H3    3   0.153068  -0.111992   0.371419
-    1SOL     O4    4  -0.076418   0.061701  -0.398979
-    1SOL     H5    5  -0.054908   0.095319  -0.485982
-    1SOL     H6    6  -0.155795   0.108971  -0.373936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002257   0.153011   0.396094
-    0SOL     H2    2   0.090957   0.161866   0.415972
-    0SOL     H3    3  -0.004935   0.130581   0.303078
-    1SOL     O4    4  -0.005339  -0.153732  -0.386723
-    1SOL     H5    5  -0.026427  -0.174726  -0.477700
-    1SOL     H6    6   0.077314  -0.105711  -0.391713
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137833  -0.311130   0.264514
-    0SOL     H2    2   0.117924  -0.367579   0.339210
-    0SOL     H3    3   0.061692  -0.319532   0.207118
-    1SOL     O4    4  -0.136251   0.309841  -0.266535
-    1SOL     H5    5  -0.158250   0.400649  -0.245744
-    1SOL     H6    6  -0.041071   0.309928  -0.276692
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063537   0.449293   0.120050
-    0SOL     H2    2  -0.099849   0.528430   0.159813
-    0SOL     H3    3  -0.093935   0.378057   0.176297
-    1SOL     O4    4   0.068282  -0.454924  -0.122562
-    1SOL     H5    5   0.131391  -0.383818  -0.133672
-    1SOL     H6    6  -0.009296  -0.425870  -0.170518
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095798   0.143344  -0.444107
-    0SOL     H2    2  -0.141879   0.073568  -0.397520
-    0SOL     H3    3  -0.151766   0.220275  -0.433553
-    1SOL     O4    4   0.096046  -0.140150   0.442272
-    1SOL     H5    5   0.103009  -0.232093   0.416576
-    1SOL     H6    6   0.186448  -0.108719   0.443705
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.294484   0.448948  -0.021079
-    0SOL     H2    2  -0.256450   0.361788  -0.010182
-    0SOL     H3    3  -0.225264   0.508974   0.006630
-    1SOL     O4    4   0.288592  -0.443837   0.013929
-    1SOL     H5    5   0.362357  -0.465383   0.070997
-    1SOL     H6    6   0.214701  -0.492123   0.050955
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101895  -0.508093  -0.212136
-    0SOL     H2    2  -0.117427  -0.413656  -0.210500
-    0SOL     H3    3  -0.019056  -0.517981  -0.259064
-    1SOL     O4    4   0.103036   0.508794   0.215905
-    1SOL     H5    5   0.096884   0.460163   0.133688
-    1SOL     H6    6   0.034710   0.471032   0.271293
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012037   0.566999  -0.091192
-    0SOL     H2    2  -0.083450   0.560647  -0.093249
-    0SOL     H3    3   0.037162   0.524403  -0.009236
-    1SOL     O4    4  -0.003542  -0.569264   0.087494
-    1SOL     H5    5  -0.044991  -0.537125   0.007423
-    1SOL     H6    6  -0.046998  -0.521220   0.157962
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039079   0.634419  -0.355678
-    0SOL     H2    2  -0.066745   0.546757  -0.382368
-    0SOL     H3    3  -0.060747   0.639111  -0.262561
-    1SOL     O4    4   0.046276  -0.629409   0.347697
-    1SOL     H5    5  -0.048389  -0.623066   0.335025
-    1SOL     H6    6   0.057103  -0.641509   0.442030
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.163904   0.625549   0.357354
-    0SOL     H2    2   0.094096   0.638479   0.293151
-    0SOL     H3    3   0.230979   0.689368   0.333055
-    1SOL     O4    4  -0.168458  -0.627660  -0.355898
-    1SOL     H5    5  -0.107090  -0.577259  -0.302456
-    1SOL     H6    6  -0.144536  -0.719004  -0.340205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.551786  -0.599997  -0.062222
-    0SOL     H2    2  -0.456080  -0.600158  -0.063855
-    0SOL     H3    3  -0.577333  -0.628558  -0.149938
-    1SOL     O4    4   0.546228   0.606982   0.064799
-    1SOL     H5    5   0.629768   0.560948   0.056787
-    1SOL     H6    6   0.492625   0.550007   0.119961
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.633642  -0.304376  -0.545841
-    0SOL     H2    2  -0.638577  -0.245616  -0.470440
-    0SOL     H3    3  -0.718444  -0.348749  -0.547276
-    1SOL     O4    4   0.637675   0.309861   0.542641
-    1SOL     H5    5   0.651567   0.239783   0.606347
-    1SOL     H6    6   0.630097   0.264717   0.458576
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.311517  -0.770823   0.323168
-    0SOL     H2    2   0.224276  -0.810208   0.323590
-    0SOL     H3    3   0.371297  -0.845012   0.313976
-    1SOL     O4    4  -0.306803   0.778768  -0.328348
-    1SOL     H5    5  -0.288427   0.818371  -0.243165
-    1SOL     H6    6  -0.376087   0.715104  -0.310771
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063545  -0.028425  -0.109754
-    0SOL     H2    2   0.111190   0.054246  -0.117357
-    0SOL     H3    3   0.127030  -0.089332  -0.072042
-    1SOL     O4    4  -0.067616   0.027028   0.114663
-    1SOL     H5    5  -0.151836   0.060978   0.084386
-    1SOL     H6    6  -0.023760  -0.002875   0.035009
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027064   0.090851  -0.096728
-    0SOL     H2    2  -0.010600   0.042099  -0.016016
-    0SOL     H3    3  -0.100392   0.148553  -0.075377
-    1SOL     O4    4   0.029855  -0.085164   0.088167
-    1SOL     H5    5   0.112641  -0.132607   0.095785
-    1SOL     H6    6  -0.035984  -0.146342   0.121103
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099269  -0.084087   0.013888
-    0SOL     H2    2   0.042915  -0.134105   0.072921
-    0SOL     H3    3   0.169055  -0.050440   0.070102
-    1SOL     O4    4  -0.104681   0.088607  -0.024769
-    1SOL     H5    5  -0.084434   0.093325   0.068666
-    1SOL     H6    6  -0.040745   0.026741  -0.060086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116612  -0.033035  -0.062571
-    0SOL     H2    2   0.141499  -0.125246  -0.068912
-    0SOL     H3    3   0.052051  -0.030404   0.008050
-    1SOL     O4    4  -0.107372   0.036916   0.058300
-    1SOL     H5    5  -0.158852   0.030383   0.138733
-    1SOL     H6    6  -0.171620   0.057013  -0.009748
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048513   0.009957  -0.119691
-    0SOL     H2    2  -0.135354  -0.022120  -0.095361
-    0SOL     H3    3  -0.064446   0.068634  -0.193619
-    1SOL     O4    4   0.049660  -0.009519   0.127420
-    1SOL     H5    5   0.126662  -0.066112   0.132912
-    1SOL     H6    6   0.046413   0.017757   0.035726
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027779   0.093285   0.103220
-    0SOL     H2    2  -0.048072   0.023464   0.040966
-    0SOL     H3    3   0.059857   0.072069   0.135348
-    1SOL     O4    4   0.020564  -0.082059  -0.099277
-    1SOL     H5    5   0.032331  -0.165761  -0.054355
-    1SOL     H6    6   0.065216  -0.093370  -0.183185
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106936  -0.072735   0.025135
-    0SOL     H2    2   0.135384  -0.151434  -0.021335
-    0SOL     H3    3   0.185777  -0.041086   0.069234
-    1SOL     O4    4  -0.118751   0.077795  -0.023200
-    1SOL     H5    5  -0.076056   0.086055  -0.108472
-    1SOL     H6    6  -0.057381   0.026632   0.029510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097819   0.026653   0.087513
-    0SOL     H2    2  -0.106068   0.099115   0.149510
-    0SOL     H3    3  -0.186863   0.012204   0.055500
-    1SOL     O4    4   0.109392  -0.032977  -0.090288
-    1SOL     H5    5   0.039055  -0.023998  -0.154587
-    1SOL     H6    6   0.074604   0.007536  -0.010848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035014   0.114987  -0.059486
-    0SOL     H2    2   0.119169   0.129860  -0.102602
-    0SOL     H3    3   0.009165   0.201205  -0.026920
-    1SOL     O4    4  -0.035823  -0.127385   0.059529
-    1SOL     H5    5  -0.012853  -0.048865   0.009836
-    1SOL     H6    6  -0.104634  -0.098557   0.119499
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028397   0.136653  -0.037822
-    0SOL     H2    2  -0.035077   0.041670  -0.028021
-    0SOL     H3    3  -0.119033   0.167388  -0.036116
-    1SOL     O4    4   0.026359  -0.132422   0.036958
-    1SOL     H5    5   0.071790  -0.213189   0.012977
-    1SOL     H6    6   0.095964  -0.073405   0.065845
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107547   0.033391   0.078939
-    0SOL     H2    2  -0.054758   0.086799   0.138296
-    0SOL     H3    3  -0.192735   0.026650   0.122066
-    1SOL     O4    4   0.111031  -0.042150  -0.083827
-    1SOL     H5    5   0.151032   0.022677  -0.141790
-    1SOL     H6    6   0.037637   0.003988  -0.043244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124867  -0.037108  -0.042038
-    0SOL     H2    2  -0.135508  -0.131929  -0.049657
-    0SOL     H3    3  -0.195958  -0.000667  -0.094768
-    1SOL     O4    4   0.134515   0.036432   0.047442
-    1SOL     H5    5   0.139657   0.131712   0.039849
-    1SOL     H6    6   0.044800   0.015118   0.021767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042724  -0.109196  -0.073792
-    0SOL     H2    2   0.071864  -0.196662  -0.048046
-    0SOL     H3    3   0.112773  -0.076151  -0.130036
-    1SOL     O4    4  -0.044984   0.117082   0.080146
-    1SOL     H5    5  -0.126568   0.137067   0.034243
-    1SOL     H6    6  -0.027560   0.025307   0.059264
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111274   0.074355   0.058867
-    0SOL     H2    2   0.104943   0.011401   0.130693
-    0SOL     H3    3   0.033263   0.129071   0.067965
-    1SOL     O4    4  -0.108964  -0.068373  -0.065060
-    1SOL     H5    5  -0.148568  -0.154986  -0.074657
-    1SOL     H6    6  -0.024065  -0.085202  -0.024179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037716  -0.119716  -0.068784
-    0SOL     H2    2  -0.061322  -0.113381   0.023763
-    0SOL     H3    3  -0.116158  -0.154459  -0.111235
-    1SOL     O4    4   0.049081   0.122693   0.063082
-    1SOL     H5    5  -0.009341   0.048217   0.048847
-    1SOL     H6    6   0.006812   0.173454   0.132357
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030064   0.134532   0.057802
-    0SOL     H2    2   0.055816   0.157880   0.093042
-    0SOL     H3    3  -0.016423   0.049726   0.015561
-    1SOL     O4    4   0.025484  -0.125920  -0.052883
-    1SOL     H5    5  -0.001421  -0.215596  -0.032969
-    1SOL     H6    6   0.034315  -0.124114  -0.148178
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045810   0.017839   0.142393
-    0SOL     H2    2  -0.006316   0.012576   0.055360
-    0SOL     H3    3  -0.131847  -0.022856   0.132207
-    1SOL     O4    4   0.048365  -0.011814  -0.130774
-    1SOL     H5    5   0.078102   0.016499  -0.217240
-    1SOL     H6    6   0.018693  -0.101867  -0.143900
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095750  -0.050411  -0.091259
-    0SOL     H2    2  -0.121471  -0.073333  -0.180564
-    0SOL     H3    3  -0.102273  -0.132566  -0.042571
-    1SOL     O4    4   0.098962   0.058974   0.099231
-    1SOL     H5    5   0.023237   0.075598   0.043091
-    1SOL     H6    6   0.147294  -0.010430   0.054404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.069527  -0.045976   0.113264
-    0SOL     H2    2  -0.090465  -0.013982   0.201015
-    0SOL     H3    3  -0.114730  -0.130115   0.106977
-    1SOL     O4    4   0.077101   0.054680  -0.119014
-    1SOL     H5    5   0.032565   0.020854  -0.041331
-    1SOL     H6    6   0.059223  -0.010198  -0.187085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.081660  -0.082316   0.091385
-    0SOL     H2    2  -0.119851  -0.016096   0.148993
-    0SOL     H3    3  -0.145576  -0.092521   0.020866
-    1SOL     O4    4   0.086331   0.083800  -0.096897
-    1SOL     H5    5   0.043211   0.091167  -0.011757
-    1SOL     H6    6   0.143129   0.007213  -0.088484
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074800   0.132149   0.018278
-    0SOL     H2    2  -0.063014   0.037959   0.005970
-    0SOL     H3    3  -0.090611   0.166072  -0.069822
-    1SOL     O4    4   0.068744  -0.127639  -0.013871
-    1SOL     H5    5   0.135632  -0.144823  -0.080151
-    1SOL     H6    6   0.116061  -0.130521   0.069286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032536  -0.083812  -0.126547
-    0SOL     H2    2  -0.051449  -0.157550  -0.068518
-    0SOL     H3    3  -0.037385  -0.006821  -0.069880
-    1SOL     O4    4   0.032908   0.077955   0.123484
-    1SOL     H5    5   0.113256   0.097892   0.075431
-    1SOL     H6    6  -0.026430   0.149902   0.101922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019858  -0.151471   0.003630
-    0SOL     H2    2   0.038139  -0.214932  -0.038457
-    0SOL     H3    3   0.025292  -0.067620  -0.006008
-    1SOL     O4    4   0.014090   0.144869  -0.004724
-    1SOL     H5    5  -0.051957   0.214132  -0.006417
-    1SOL     H6    6   0.068755   0.165683   0.071044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118762  -0.062826   0.065096
-    0SOL     H2    2   0.130165  -0.014457   0.146905
-    0SOL     H3    3   0.068917  -0.140662   0.089984
-    1SOL     O4    4  -0.117888   0.071730  -0.072912
-    1SOL     H5    5  -0.033536   0.028479  -0.059633
-    1SOL     H6    6  -0.182395   0.001450  -0.065044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030453   0.139552  -0.053485
-    0SOL     H2    2  -0.109986   0.192179  -0.045289
-    0SOL     H3    3  -0.038555   0.073017   0.014850
-    1SOL     O4    4   0.036170  -0.131679   0.048504
-    1SOL     H5    5  -0.041470  -0.187624   0.050622
-    1SOL     H6    6   0.109826  -0.192804   0.049376
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111985   0.076269   0.081051
-    0SOL     H2    2  -0.156676   0.042401   0.003476
-    0SOL     H3    3  -0.024183   0.038411   0.076608
-    1SOL     O4    4   0.103724  -0.073819  -0.078313
-    1SOL     H5    5   0.149681  -0.099921   0.001493
-    1SOL     H6    6   0.164150  -0.014053  -0.122347
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076503  -0.085919   0.103742
-    0SOL     H2    2   0.066257  -0.049861   0.191817
-    0SOL     H3    3   0.043897  -0.017136   0.045707
-    1SOL     O4    4  -0.076003   0.074336  -0.102015
-    1SOL     H5    5  -0.065025   0.164137  -0.070746
-    1SOL     H6    6  -0.053526   0.078376  -0.194971
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010304  -0.074235   0.126322
-    0SOL     H2    2   0.026520  -0.150881   0.170274
-    0SOL     H3    3  -0.085655  -0.049682   0.180004
-    1SOL     O4    4   0.018151   0.077382  -0.135199
-    1SOL     H5    5  -0.001553   0.095610  -0.043320
-    1SOL     H6    6  -0.067344   0.062465  -0.175576
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043670   0.084554   0.122821
-    0SOL     H2    2  -0.006953   0.135964   0.185723
-    0SOL     H3    3   0.017289  -0.006009   0.139088
-    1SOL     O4    4  -0.032824  -0.085127  -0.127962
-    1SOL     H5    5  -0.062473  -0.017976  -0.066529
-    1SOL     H6    6  -0.110004  -0.104866  -0.181027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073686  -0.089812  -0.097690
-    0SOL     H2    2  -0.147418  -0.150397  -0.105129
-    0SOL     H3    3  -0.080093  -0.034535  -0.175572
-    1SOL     O4    4   0.082457   0.089498   0.105954
-    1SOL     H5    5   0.041803   0.169830   0.073451
-    1SOL     H6    6   0.034886   0.019034   0.061974
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104643  -0.084659  -0.093434
-    0SOL     H2    2   0.036561  -0.019260  -0.077621
-    0SOL     H3    3   0.185065  -0.043806  -0.061407
-    1SOL     O4    4  -0.106296   0.075022   0.086053
-    1SOL     H5    5  -0.104240   0.053524   0.179305
-    1SOL     H6    6  -0.088441   0.169002   0.082692
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137720   0.050632  -0.059359
-    0SOL     H2    2   0.231717   0.067831  -0.064940
-    0SOL     H3    3   0.124942   0.015490   0.028755
-    1SOL     O4    4  -0.138147  -0.053218   0.059328
-    1SOL     H5    5  -0.133648  -0.065121  -0.035543
-    1SOL     H6    6  -0.203960   0.015152   0.071842
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031962  -0.101583  -0.112197
-    0SOL     H2    2   0.027593  -0.113887  -0.186117
-    0SOL     H3    3  -0.053127  -0.190378  -0.083393
-    1SOL     O4    4   0.035899   0.109339   0.115633
-    1SOL     H5    5  -0.035739   0.139557   0.171465
-    1SOL     H6    6  -0.006034   0.051328   0.052082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090168   0.079866   0.099338
-    0SOL     H2    2   0.162027   0.110102   0.043801
-    0SOL     H3    3   0.068697   0.155415   0.154051
-    1SOL     O4    4  -0.099053  -0.084477  -0.099352
-    1SOL     H5    5  -0.027267  -0.038077  -0.056268
-    1SOL     H6    6  -0.056723  -0.157395  -0.144667
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.048958   0.126846  -0.075969
-    0SOL     H2    2   0.019428   0.109033  -0.165260
-    0SOL     H3    3   0.100250   0.207334  -0.083262
-    1SOL     O4    4  -0.049236  -0.135811   0.084666
-    1SOL     H5    5   0.007000  -0.098321   0.016885
-    1SOL     H6    6  -0.121509  -0.073606   0.093002
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119325  -0.118654   0.016476
-    0SOL     H2    2   0.072911  -0.132858   0.098976
-    0SOL     H3    3   0.056686  -0.071582  -0.038504
-    1SOL     O4    4  -0.112939   0.110471  -0.022036
-    1SOL     H5    5  -0.071854   0.127598   0.062705
-    1SOL     H6    6  -0.155019   0.193192  -0.045461
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000598   0.143051  -0.065844
-    0SOL     H2    2   0.023497   0.170747  -0.154245
-    0SOL     H3    3  -0.062886   0.209351  -0.036063
-    1SOL     O4    4  -0.003508  -0.149035   0.070660
-    1SOL     H5    5   0.052170  -0.071438   0.064260
-    1SOL     H6    6   0.055351  -0.222353   0.052708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.103476  -0.131483  -0.017903
-    0SOL     H2    2   0.103181  -0.174663   0.067524
-    0SOL     H3    3   0.080639  -0.040495   0.001119
-    1SOL     O4    4  -0.098098   0.123526   0.012607
-    1SOL     H5    5  -0.164264   0.138204  -0.054987
-    1SOL     H6    6  -0.101094   0.202463   0.066665
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002327  -0.018454   0.163106
-    0SOL     H2    2   0.036637   0.068840   0.182208
-    0SOL     H3    3   0.080125  -0.073724   0.155688
-    1SOL     O4    4  -0.013620   0.012818  -0.162356
-    1SOL     H5    5   0.075516  -0.008541  -0.134772
-    1SOL     H6    6  -0.004571   0.094282  -0.211795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034604   0.122212  -0.099652
-    0SOL     H2    2  -0.016498   0.192892  -0.161611
-    0SOL     H3    3  -0.058513   0.166980  -0.018495
-    1SOL     O4    4   0.037178  -0.124805   0.103538
-    1SOL     H5    5   0.084150  -0.152885   0.025005
-    1SOL     H6    6  -0.050506  -0.161887   0.093602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093965  -0.029011   0.134146
-    0SOL     H2    2  -0.108773  -0.068301   0.048127
-    0SOL     H3    3  -0.179776  -0.030965   0.176515
-    1SOL     O4    4   0.093039   0.030224  -0.132375
-    1SOL     H5    5   0.147641   0.018828  -0.054586
-    1SOL     H6    6   0.153602   0.060679  -0.199954
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054078   0.120507  -0.109591
-    0SOL     H2    2  -0.069797   0.191939  -0.047844
-    0SOL     H3    3  -0.140038   0.102220  -0.147521
-    1SOL     O4    4   0.061590  -0.128283   0.111457
-    1SOL     H5    5   0.007094  -0.133690   0.032950
-    1SOL     H6    6   0.070435  -0.034439   0.128114
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122346   0.077441  -0.092143
-    0SOL     H2    2   0.195993   0.085835  -0.031580
-    0SOL     H3    3   0.155872   0.110609  -0.175439
-    1SOL     O4    4  -0.128601  -0.085277   0.097676
-    1SOL     H5    5  -0.105360  -0.081996   0.004878
-    1SOL     H6    6  -0.141022   0.006314   0.122558
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047275  -0.121934   0.130102
-    0SOL     H2    2   0.045216  -0.118964   0.154572
-    0SOL     H3    3  -0.049357  -0.089310   0.040137
-    1SOL     O4    4   0.036566   0.122245  -0.127988
-    1SOL     H5    5   0.069275   0.032996  -0.139261
-    1SOL     H6    6   0.112365   0.171861  -0.097085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.125161  -0.020131  -0.126274
-    0SOL     H2    2  -0.062864  -0.092407  -0.118686
-    0SOL     H3    3  -0.144357  -0.014722  -0.219893
-    1SOL     O4    4   0.126313   0.019673   0.128265
-    1SOL     H5    5   0.095170   0.102821   0.092502
-    1SOL     H6    6   0.091461   0.017323   0.217383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.134216   0.055607  -0.113541
-    0SOL     H2    2   0.127261   0.027630  -0.204817
-    0SOL     H3    3   0.058086   0.111992  -0.099856
-    1SOL     O4    4  -0.133913  -0.052198   0.116890
-    1SOL     H5    5  -0.154777  -0.143439   0.136937
-    1SOL     H6    6  -0.038541  -0.050587   0.108892
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146082   0.066753  -0.092201
-    0SOL     H2    2  -0.138545   0.158723  -0.117635
-    0SOL     H3    3  -0.140733   0.067765   0.003364
-    1SOL     O4    4   0.150978  -0.074322   0.089471
-    1SOL     H5    5   0.129826   0.011676   0.053151
-    1SOL     H6    6   0.066032  -0.116593   0.102102
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072423   0.172043   0.021897
-    0SOL     H2    2   0.016424   0.178566  -0.013119
-    0SOL     H3    3  -0.061015   0.174514   0.116903
-    1SOL     O4    4   0.071854  -0.173151  -0.022016
-    1SOL     H5    5   0.029921  -0.091483  -0.049114
-    1SOL     H6    6   0.017305  -0.241942  -0.060154
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153353  -0.010319   0.112931
-    0SOL     H2    2   0.111308  -0.026462   0.028468
-    0SOL     H3    3   0.199052   0.073001   0.101455
-    1SOL     O4    4  -0.148241   0.006535  -0.103381
-    1SOL     H5    5  -0.149728   0.006575  -0.199090
-    1SOL     H6    6  -0.240342   0.000791  -0.077952
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007203  -0.082516  -0.173613
-    0SOL     H2    2  -0.032950  -0.035528  -0.100523
-    0SOL     H3    3   0.019565  -0.171640  -0.140956
-    1SOL     O4    4  -0.006122   0.078071   0.169547
-    1SOL     H5    5  -0.061615   0.120322   0.103990
-    1SOL     H6    6   0.049914   0.148353   0.202451
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.158289   0.111830   0.001740
-    0SOL     H2    2  -0.068753   0.145648   0.003172
-    0SOL     H3    3  -0.187918   0.126156  -0.088145
-    1SOL     O4    4   0.154839  -0.109253   0.007554
-    1SOL     H5    5   0.109027  -0.123279  -0.075312
-    1SOL     H6    6   0.203033  -0.190611   0.022403
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.143711   0.124600   0.006976
-    0SOL     H2    2   0.236366   0.113735   0.028406
-    0SOL     H3    3   0.142389   0.137774  -0.087824
-    1SOL     O4    4  -0.152768  -0.129736   0.000136
-    1SOL     H5    5  -0.179024  -0.038385  -0.011175
-    1SOL     H6    6  -0.062087  -0.132597  -0.030376
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.189495  -0.017806  -0.033810
-    0SOL     H2    2  -0.271811   0.008154  -0.075192
-    0SOL     H3    3  -0.121994   0.007119  -0.096935
-    1SOL     O4    4   0.192648   0.019797   0.044182
-    1SOL     H5    5   0.193908   0.011533  -0.051172
-    1SOL     H6    6   0.152656  -0.061601   0.074798
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128598   0.148169  -0.002225
-    0SOL     H2    2   0.189667   0.194875  -0.059247
-    0SOL     H3    3   0.068746   0.215846   0.029395
-    1SOL     O4    4  -0.122456  -0.155475   0.007394
-    1SOL     H5    5  -0.165554  -0.219070  -0.049706
-    1SOL     H6    6  -0.179125  -0.078386   0.004540
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133891  -0.063421  -0.152831
-    0SOL     H2    2   0.056744  -0.015874  -0.183650
-    0SOL     H3    3   0.131110  -0.054502  -0.057568
-    1SOL     O4    4  -0.123225   0.059190   0.145351
-    1SOL     H5    5  -0.196424   0.118196   0.127393
-    1SOL     H6    6  -0.147756   0.014480   0.226355
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121934  -0.126575  -0.100582
-    0SOL     H2    2   0.107061  -0.217739  -0.075478
-    0SOL     H3    3   0.102748  -0.124060  -0.194325
-    1SOL     O4    4  -0.120918   0.124968   0.101556
-    1SOL     H5    5  -0.173682   0.201939   0.080257
-    1SOL     H6    6  -0.057619   0.156382   0.166122
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108113  -0.167096  -0.040718
-    0SOL     H2    2  -0.183903  -0.173146  -0.098870
-    0SOL     H3    3  -0.105368  -0.251679   0.004008
-    1SOL     O4    4   0.106563   0.171943   0.044608
-    1SOL     H5    5   0.180385   0.223516   0.077056
-    1SOL     H6    6   0.138760   0.132227  -0.036313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.132612   0.159514   0.026021
-    0SOL     H2    2   0.199790   0.169721   0.093439
-    0SOL     H3    3   0.050172   0.176844   0.071470
-    1SOL     O4    4  -0.133020  -0.163544  -0.039190
-    1SOL     H5    5  -0.184715  -0.100821   0.011366
-    1SOL     H6    6  -0.058949  -0.184866   0.017566
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066315  -0.042484  -0.192410
-    0SOL     H2    2   0.128859   0.027963  -0.175446
-    0SOL     H3    3   0.018876  -0.014153  -0.270572
-    1SOL     O4    4  -0.071266   0.030844   0.198340
-    1SOL     H5    5  -0.043809   0.056123   0.110196
-    1SOL     H6    6  -0.030312   0.095588   0.255727
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102459  -0.010513   0.180556
-    0SOL     H2    2  -0.168073  -0.074988   0.207013
-    0SOL     H3    3  -0.098752   0.051296   0.253551
-    1SOL     O4    4   0.107974   0.016117  -0.183807
-    1SOL     H5    5   0.049563  -0.049748  -0.146227
-    1SOL     H6    6   0.132138  -0.019272  -0.269400
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062183  -0.064103  -0.202893
-    0SOL     H2    2  -0.069015  -0.017718  -0.119442
-    0SOL     H3    3   0.002080  -0.133185  -0.186762
-    1SOL     O4    4   0.053852   0.062638   0.195423
-    1SOL     H5    5   0.095559   0.141740   0.161280
-    1SOL     H6    6   0.109032   0.036290   0.269066
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116200  -0.081701  -0.165705
-    0SOL     H2    2   0.134010  -0.160723  -0.114707
-    0SOL     H3    3   0.026576  -0.093213  -0.197287
-    1SOL     O4    4  -0.118730   0.084871   0.166668
-    1SOL     H5    5  -0.054111   0.141105   0.209381
-    1SOL     H6    6  -0.075834   0.055881   0.086158
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024044  -0.072506  -0.222224
-    0SOL     H2    2  -0.066084  -0.006645  -0.166931
-    0SOL     H3    3   0.065894  -0.077200  -0.189797
-    1SOL     O4    4   0.017711   0.074970   0.216383
-    1SOL     H5    5   0.106286   0.066986   0.251782
-    1SOL     H6    6  -0.009241  -0.015141   0.198607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096497   0.192430  -0.081006
-    0SOL     H2    2  -0.060144   0.117946  -0.128891
-    0SOL     H3    3  -0.069266   0.269038  -0.131522
-    1SOL     O4    4   0.087931  -0.196946   0.084329
-    1SOL     H5    5   0.179291  -0.218714   0.102813
-    1SOL     H6    6   0.079638  -0.104938   0.109391
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076523   0.099282   0.205172
-    0SOL     H2    2   0.048235   0.008597   0.216935
-    0SOL     H3    3   0.138962   0.095737   0.132708
-    1SOL     O4    4  -0.084753  -0.096264  -0.203253
-    1SOL     H5    5  -0.003733  -0.137320  -0.233460
-    1SOL     H6    6  -0.055754  -0.020886  -0.151876
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071300   0.010418   0.237737
-    0SOL     H2    2   0.071375  -0.070782   0.187053
-    0SOL     H3    3   0.069769   0.079834   0.171847
-    1SOL     O4    4  -0.075274  -0.007703  -0.237511
-    1SOL     H5    5   0.008521  -0.053969  -0.237226
-    1SOL     H6    6  -0.095210   0.006410  -0.144960
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061879   0.003806  -0.244534
-    0SOL     H2    2   0.060335   0.075338  -0.308120
-    0SOL     H3    3  -0.020272   0.012844  -0.196245
-    1SOL     O4    4  -0.055227  -0.001180   0.243315
-    1SOL     H5    5  -0.003955  -0.071338   0.283458
-    1SOL     H6    6  -0.143802  -0.036882   0.236824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003041  -0.114500  -0.249910
-    0SOL     H2    2   0.078830  -0.172708  -0.255412
-    0SOL     H3    3   0.038222  -0.032504  -0.215251
-    1SOL     O4    4  -0.010519   0.105973   0.245574
-    1SOL     H5    5  -0.030829   0.191498   0.207689
-    1SOL     H6    6   0.031489   0.126128   0.329189
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040340   0.274579   0.018780
-    0SOL     H2    2   0.122587   0.232659  -0.006528
-    0SOL     H3    3   0.046641   0.284383   0.113788
-    1SOL     O4    4  -0.042697  -0.276534  -0.027579
-    1SOL     H5    5  -0.039212  -0.303076   0.064321
-    1SOL     H6    6  -0.078841  -0.187922  -0.025614
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021447   0.121499  -0.258624
-    0SOL     H2    2   0.047110   0.083229  -0.203874
-    0SOL     H3    3  -0.050794   0.049352  -0.314264
-    1SOL     O4    4   0.013858  -0.113940   0.257805
-    1SOL     H5    5   0.074784  -0.087588   0.326769
-    1SOL     H6    6   0.063709  -0.175380   0.203932
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134044  -0.221468  -0.149738
-    0SOL     H2    2  -0.072608  -0.281351  -0.192187
-    0SOL     H3    3  -0.147221  -0.258495  -0.062459
-    1SOL     O4    4   0.133043   0.225527   0.152986
-    1SOL     H5    5   0.179890   0.273666   0.084792
-    1SOL     H6    6   0.044918   0.213468   0.117619
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.220197   0.212620   0.088291
-    0SOL     H2    2   0.257044   0.124942   0.099113
-    0SOL     H3    3   0.278092   0.255360   0.025173
-    1SOL     O4    4  -0.223354  -0.212768  -0.091194
-    1SOL     H5    5  -0.282755  -0.139681  -0.074101
-    1SOL     H6    6  -0.197978  -0.243894  -0.004306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.023227  -0.015230  -0.348172
-    0SOL     H2    2  -0.088719   0.011731  -0.412564
-    0SOL     H3    3  -0.022213   0.055650  -0.283851
-    1SOL     O4    4   0.029088   0.009730   0.354044
-    1SOL     H5    5  -0.053192   0.043910   0.319058
-    1SOL     H6    6   0.071960  -0.031203   0.278886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041079   0.335645  -0.131432
-    0SOL     H2    2  -0.048338   0.247302  -0.095307
-    0SOL     H3    3  -0.102598   0.387788  -0.079868
-    1SOL     O4    4   0.049606  -0.334483   0.121643
-    1SOL     H5    5   0.020202  -0.393087   0.191380
-    1SOL     H6    6  -0.002228  -0.254922   0.133707
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.199115  -0.018728  -0.326127
-    0SOL     H2    2   0.167735  -0.105034  -0.299129
-    0SOL     H3    3   0.136350   0.042646  -0.287966
-    1SOL     O4    4  -0.196215   0.018984   0.315813
-    1SOL     H5    5  -0.241571   0.001877   0.398351
-    1SOL     H6    6  -0.111405   0.054807   0.342012
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.186887   0.066452   0.340634
-    0SOL     H2    2   0.244327   0.058453   0.264484
-    0SOL     H3    3   0.109594   0.112302   0.307681
-    1SOL     O4    4  -0.191426  -0.065761  -0.333101
-    1SOL     H5    5  -0.106253  -0.023480  -0.344063
-    1SOL     H6    6  -0.173187  -0.159260  -0.342465
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030846  -0.040639   0.422783
-    0SOL     H2    2   0.110434   0.010641   0.408700
-    0SOL     H3    3  -0.022062  -0.024792   0.344604
-    1SOL     O4    4  -0.030225   0.042412  -0.416705
-    1SOL     H5    5  -0.059747   0.008630  -0.501259
-    1SOL     H6    6  -0.046529  -0.029146  -0.355255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.251731   0.342649  -0.096457
-    0SOL     H2    2  -0.346781   0.346322  -0.085765
-    0SOL     H3    3  -0.237867   0.278308  -0.165958
-    1SOL     O4    4   0.253903  -0.336303   0.094139
-    1SOL     H5    5   0.253227  -0.429439   0.116219
-    1SOL     H6    6   0.283540  -0.292890   0.174134
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.313652   0.334723  -0.165376
-    0SOL     H2    2  -0.266905   0.405150  -0.210288
-    0SOL     H3    3  -0.291409   0.255825  -0.214799
-    1SOL     O4    4   0.314247  -0.331222   0.174188
-    1SOL     H5    5   0.262621  -0.285666   0.107692
-    1SOL     H6    6   0.292938  -0.423727   0.161903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106655   0.422326   0.240795
-    0SOL     H2    2  -0.178375   0.460917   0.291086
-    0SOL     H3    3  -0.141882   0.339378   0.208529
-    1SOL     O4    4   0.108349  -0.424805  -0.240586
-    1SOL     H5    5   0.180978  -0.392346  -0.187353
-    1SOL     H6    6   0.112178  -0.372655  -0.320761
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099608   0.432642  -0.241047
-    0SOL     H2    2   0.019134   0.457576  -0.286485
-    0SOL     H3    3   0.069628   0.386744  -0.162581
-    1SOL     O4    4  -0.099220  -0.428944   0.242017
-    1SOL     H5    5  -0.041656  -0.391565   0.175297
-    1SOL     H6    6  -0.062760  -0.515749   0.259273
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.452147   0.209929   0.109909
-    0SOL     H2    2   0.503842   0.289211   0.124207
-    0SOL     H3    3   0.465765   0.157806   0.189030
-    1SOL     O4    4  -0.451944  -0.208763  -0.113140
-    1SOL     H5    5  -0.464006  -0.303557  -0.118693
-    1SOL     H6    6  -0.527138  -0.172230  -0.159761
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109693   0.184096   0.479856
-    0SOL     H2    2   0.161319   0.241146   0.422914
-    0SOL     H3    3   0.100486   0.233484   0.561331
-    1SOL     O4    4  -0.107310  -0.193844  -0.480138
-    1SOL     H5    5  -0.111320  -0.130889  -0.552130
-    1SOL     H6    6  -0.189039  -0.180607  -0.432101
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003498   0.008229  -0.570281
-    0SOL     H2    2  -0.062863   0.013912  -0.501533
-    0SOL     H3    3   0.035872   0.097798  -0.579850
-    1SOL     O4    4  -0.003831  -0.018883   0.569113
-    1SOL     H5    5  -0.049402   0.047766   0.517698
-    1SOL     H6    6   0.083989   0.016849   0.582272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.516435   0.153919   0.178731
-    0SOL     H2    2  -0.475472   0.237541   0.200907
-    0SOL     H3    3  -0.610298   0.169763   0.188781
-    1SOL     O4    4   0.517960  -0.164470  -0.177562
-    1SOL     H5    5   0.465629  -0.084631  -0.170523
-    1SOL     H6    6   0.589245  -0.141270  -0.237080
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.365306   0.382171  -0.549147
-    0SOL     H2    2  -0.443602   0.396460  -0.495971
-    0SOL     H3    3  -0.376231   0.293986  -0.584735
-    1SOL     O4    4   0.369475  -0.385068   0.548541
-    1SOL     H5    5   0.446950  -0.334220   0.572511
-    1SOL     H6    6   0.307460  -0.320127   0.515388
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.843477  -0.225804   0.042214
-    0SOL     H2    2   0.886042  -0.222410  -0.043454
-    0SOL     H3    3   0.822175  -0.318274   0.054780
-    1SOL     O4    4  -0.839451   0.234925  -0.040643
-    1SOL     H5    5  -0.902729   0.251494   0.029240
-    1SOL     H6    6  -0.859627   0.146342  -0.070781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041702  -0.980238   0.374868
-    0SOL     H2    2  -0.055316  -1.001266   0.467252
-    0SOL     H3    3  -0.031212  -1.065274   0.332193
-    1SOL     O4    4   0.037913   0.990126  -0.373546
-    1SOL     H5    5   0.130187   0.966071  -0.365229
-    1SOL     H6    6   0.009218   0.947605  -0.454360
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -1.018078   0.398168  -0.262409
-    0SOL     H2    2  -1.090269   0.392997  -0.325052
-    0SOL     H3    3  -1.048178   0.460385  -0.196187
-    1SOL     O4    4   1.028374  -0.407013   0.263437
-    1SOL     H5    5   0.941029  -0.403163   0.224470
-    1SOL     H6    6   1.048651  -0.316204   0.285907
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039610   0.837126  -0.766029
-    0SOL     H2    2  -0.030528   0.747584  -0.798619
-    0SOL     H3    3   0.042256   0.880100  -0.790798
-    1SOL     O4    4   0.029421  -0.831993   0.765683
-    1SOL     H5    5   0.041002  -0.831772   0.860699
-    1SOL     H6    6   0.107379  -0.876238   0.732108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014370  -0.120127   0.014439
-    0SOL     H2    2   0.057354  -0.181405   0.030655
-    0SOL     H3    3  -0.080602  -0.142896   0.079687
-    1SOL     O4    4   0.019394   0.126857  -0.017850
-    1SOL     H5    5  -0.050112   0.181230  -0.054930
-    1SOL     H6    6  -0.020917   0.040777  -0.006561
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016793   0.115549   0.064245
-    0SOL     H2    2  -0.001345   0.026248   0.033438
-    0SOL     H3    3  -0.079349   0.152042   0.001657
-    1SOL     O4    4   0.017383  -0.109346  -0.053775
-    1SOL     H5    5   0.105656  -0.129553  -0.084788
-    1SOL     H6    6  -0.040468  -0.144601  -0.121397
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060418  -0.118318   0.021514
-    0SOL     H2    2   0.002106  -0.042494   0.025090
-    0SOL     H3    3   0.098543  -0.115156  -0.066229
-    1SOL     O4    4  -0.058602   0.113232  -0.011066
-    1SOL     H5    5  -0.137259   0.096861  -0.063098
-    1SOL     H6    6   0.005015   0.147468  -0.073859
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073873   0.005101  -0.099796
-    0SOL     H2    2  -0.158015  -0.016115  -0.059393
-    0SOL     H3    3  -0.095699   0.027783  -0.190192
-    1SOL     O4    4   0.078830  -0.008434   0.108419
-    1SOL     H5    5   0.153336   0.048303   0.088620
-    1SOL     H6    6   0.027388  -0.009535   0.027705
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112450   0.026685  -0.056871
-    0SOL     H2    2  -0.067423   0.041142  -0.140093
-    0SOL     H3    3  -0.181428   0.093025  -0.055065
-    1SOL     O4    4   0.117081  -0.029003   0.067914
-    1SOL     H5    5   0.032696  -0.004381   0.030029
-    1SOL     H6    6   0.150652  -0.097042   0.009553
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045820   0.031819   0.125950
-    0SOL     H2    2  -0.060689   0.126178   0.119824
-    0SOL     H3    3   0.016465   0.012735   0.055817
-    1SOL     O4    4   0.043154  -0.030891  -0.116539
-    1SOL     H5    5  -0.027790  -0.093926  -0.129024
-    1SOL     H6    6   0.110851  -0.058393  -0.178369
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056473   0.095374  -0.078761
-    0SOL     H2    2  -0.002397   0.049488  -0.014475
-    0SOL     H3    3   0.001025   0.162989  -0.114600
-    1SOL     O4    4   0.051077  -0.092409   0.070990
-    1SOL     H5    5   0.069580  -0.068163   0.161721
-    1SOL     H6    6   0.021045  -0.183155   0.076046
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047108   0.115836  -0.031927
-    0SOL     H2    2   0.101899   0.193245  -0.018963
-    0SOL     H3    3  -0.030157   0.148564  -0.077986
-    1SOL     O4    4  -0.050966  -0.121222   0.036635
-    1SOL     H5    5  -0.011435  -0.204503   0.010870
-    1SOL     H6    6   0.010743  -0.054830   0.005873
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068490  -0.028428  -0.118500
-    0SOL     H2    2   0.090006   0.062758  -0.138109
-    0SOL     H3    3   0.028530  -0.025498  -0.031570
-    1SOL     O4    4  -0.064831   0.022847   0.108580
-    1SOL     H5    5  -0.021753   0.007164   0.192607
-    1SOL     H6    6  -0.157110   0.035145   0.130845
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112676  -0.062946  -0.005686
-    0SOL     H2    2  -0.102215  -0.157949  -0.010917
-    0SOL     H3    3  -0.205622  -0.048045  -0.023046
-    1SOL     O4    4   0.117771   0.073530   0.005751
-    1SOL     H5    5   0.190435   0.012209   0.016799
-    1SOL     H6    6   0.039244   0.019967   0.017009
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014788  -0.102333   0.081783
-    0SOL     H2    2  -0.034701  -0.184252   0.036450
-    0SOL     H3    3  -0.090565  -0.087121   0.138253
-    1SOL     O4    4   0.013886   0.107237  -0.083404
-    1SOL     H5    5   0.092289   0.158421  -0.103293
-    1SOL     H6    6   0.046768   0.029589  -0.038106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002530  -0.069791   0.120658
-    0SOL     H2    2   0.010796  -0.004365   0.052072
-    0SOL     H3    3   0.079538  -0.069974   0.169923
-    1SOL     O4    4  -0.001113   0.063777  -0.113055
-    1SOL     H5    5  -0.079710   0.035755  -0.159955
-    1SOL     H6    6   0.042277   0.124450  -0.173043
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.100438  -0.047181  -0.076311
-    0SOL     H2    2   0.088609  -0.142001  -0.070680
-    0SOL     H3    3   0.175297  -0.028921  -0.019523
-    1SOL     O4    4  -0.103245   0.054822   0.078846
-    1SOL     H5    5  -0.182984   0.033164   0.030526
-    1SOL     H6    6  -0.032243   0.020486   0.024606
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076514  -0.050830  -0.105444
-    0SOL     H2    2  -0.105083  -0.140891  -0.090108
-    0SOL     H3    3  -0.018722  -0.031104  -0.031733
-    1SOL     O4    4   0.077601   0.055368   0.094484
-    1SOL     H5    5   0.081780  -0.025861   0.144949
-    1SOL     H6    6   0.028735   0.115829   0.150330
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010341   0.089830  -0.096932
-    0SOL     H2    2  -0.088613   0.144365  -0.089072
-    0SOL     H3    3  -0.006784   0.066172  -0.189614
-    1SOL     O4    4   0.014043  -0.098306   0.104824
-    1SOL     H5    5   0.000561  -0.076124   0.012691
-    1SOL     H6    6   0.033690  -0.014665   0.147019
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050539  -0.122745  -0.012392
-    0SOL     H2    2  -0.144301  -0.116608  -0.030653
-    0SOL     H3    3  -0.020659  -0.196953  -0.064954
-    1SOL     O4    4   0.058379   0.131656   0.014677
-    1SOL     H5    5   0.083246   0.039400   0.020401
-    1SOL     H6    6  -0.034744   0.132827   0.036790
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033524   0.101762  -0.082210
-    0SOL     H2    2   0.043861   0.115766  -0.136778
-    0SOL     H3    3  -0.050663   0.187156  -0.042505
-    1SOL     O4    4   0.035978  -0.106698   0.085839
-    1SOL     H5    5   0.003147  -0.056950   0.010942
-    1SOL     H6    6  -0.033945  -0.168939   0.105818
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005954   0.127285  -0.041448
-    0SOL     H2    2  -0.006571   0.176276   0.040783
-    0SOL     H3    3  -0.045477   0.186810  -0.105143
-    1SOL     O4    4   0.004771  -0.132728   0.046491
-    1SOL     H5    5   0.016964  -0.063065  -0.018012
-    1SOL     H6    6   0.046992  -0.209247   0.007445
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014352  -0.139968  -0.026107
-    0SOL     H2    2   0.034558  -0.046422  -0.027887
-    0SOL     H3    3  -0.052737  -0.151314  -0.093432
-    1SOL     O4    4  -0.011676   0.129221   0.032496
-    1SOL     H5    5   0.062684   0.178748  -0.001855
-    1SOL     H6    6  -0.086458   0.188111   0.022394
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065979   0.042797   0.109224
-    0SOL     H2    2  -0.025903  -0.024840   0.163826
-    0SOL     H3    3  -0.154225   0.053203   0.144814
-    1SOL     O4    4   0.067291  -0.039445  -0.121975
-    1SOL     H5    5   0.145487  -0.073020  -0.078151
-    1SOL     H6    6   0.013491  -0.003954  -0.051206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034560   0.129648   0.011164
-    0SOL     H2    2   0.059325   0.148865   0.101606
-    0SOL     H3    3   0.076521   0.198542  -0.040364
-    1SOL     O4    4  -0.036031  -0.140256  -0.016415
-    1SOL     H5    5  -0.033710  -0.051804  -0.052929
-    1SOL     H6    6  -0.082769  -0.130741   0.066575
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065546   0.130650  -0.014043
-    0SOL     H2    2  -0.027371   0.048690   0.017384
-    0SOL     H3    3  -0.033370   0.139254  -0.103782
-    1SOL     O4    4   0.056153  -0.124835   0.013241
-    1SOL     H5    5   0.064197  -0.204227   0.066103
-    1SOL     H6    6   0.131581  -0.071528   0.038368
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118364   0.050328   0.067687
-    0SOL     H2    2   0.037315   0.002828   0.049326
-    0SOL     H3    3   0.093847   0.114912   0.133945
-    1SOL     O4    4  -0.111361  -0.044583  -0.070172
-    1SOL     H5    5  -0.085684  -0.102961  -0.141551
-    1SOL     H6    6  -0.147475  -0.102827  -0.003345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127173  -0.024636  -0.052003
-    0SOL     H2    2  -0.156922   0.032631  -0.122698
-    0SOL     H3    3  -0.128088  -0.112394  -0.090214
-    1SOL     O4    4   0.127028   0.032088   0.062299
-    1SOL     H5    5   0.213741  -0.007601   0.054069
-    1SOL     H6    6   0.070918  -0.020873   0.005649
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083753  -0.119255   0.028738
-    0SOL     H2    2  -0.030855  -0.039580   0.024731
-    0SOL     H3    3  -0.164555  -0.092245   0.072371
-    1SOL     O4    4   0.079859   0.114982  -0.027013
-    1SOL     H5    5   0.104853   0.146792  -0.113764
-    1SOL     H6    6   0.143104   0.045780  -0.007686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088870  -0.069436  -0.100587
-    0SOL     H2    2  -0.002076  -0.063561  -0.071318
-    0SOL     H3    3   0.137628  -0.015403  -0.038414
-    1SOL     O4    4  -0.080183   0.064875   0.094609
-    1SOL     H5    5  -0.136503   0.020191   0.157805
-    1SOL     H6    6  -0.137147   0.129854   0.053438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095888  -0.085913   0.069901
-    0SOL     H2    2   0.115437  -0.062852  -0.020920
-    0SOL     H3    3   0.062326  -0.175435   0.065239
-    1SOL     O4    4  -0.090577   0.089395  -0.070282
-    1SOL     H5    5  -0.080355   0.048045   0.015438
-    1SOL     H6    6  -0.181030   0.120696  -0.071195
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032339  -0.011052  -0.137373
-    0SOL     H2    2  -0.059558   0.015652  -0.135315
-    0SOL     H3    3   0.049891  -0.029560  -0.229632
-    1SOL     O4    4  -0.035055   0.009098   0.144611
-    1SOL     H5    5   0.027499   0.063034   0.192987
-    1SOL     H6    6   0.012142  -0.017431   0.065674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127083   0.008115   0.080212
-    0SOL     H2    2   0.050238  -0.007979   0.025457
-    0SOL     H3    3   0.094818  -0.000338   0.169933
-    1SOL     O4    4  -0.113828  -0.007730  -0.081419
-    1SOL     H5    5  -0.164781   0.069166  -0.055862
-    1SOL     H6    6  -0.175868  -0.062865  -0.129100
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043740   0.089440   0.114386
-    0SOL     H2    2   0.030709   0.049528   0.028366
-    0SOL     H3    3  -0.044708   0.108362   0.145710
-    1SOL     O4    4  -0.036648  -0.082808  -0.115059
-    1SOL     H5    5  -0.120241  -0.110884  -0.077826
-    1SOL     H6    6   0.026526  -0.147538  -0.083733
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042171  -0.089743   0.101387
-    0SOL     H2    2  -0.000458  -0.104048   0.186344
-    0SOL     H3    3  -0.127174  -0.133128   0.108779
-    1SOL     O4    4   0.046254   0.093875  -0.113373
-    1SOL     H5    5   0.036736   0.009051  -0.070054
-    1SOL     H6    6   0.027905   0.158053  -0.044767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056736   0.132798   0.055452
-    0SOL     H2    2  -0.115568   0.070099   0.097523
-    0SOL     H3    3  -0.018443   0.084405  -0.017720
-    1SOL     O4    4   0.051386  -0.125901  -0.054266
-    1SOL     H5    5   0.115357  -0.081618  -0.110024
-    1SOL     H6    6   0.104200  -0.172052   0.010873
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080342  -0.104593  -0.066837
-    0SOL     H2    2   0.135999  -0.170503  -0.025356
-    0SOL     H3    3  -0.008944  -0.135543  -0.051593
-    1SOL     O4    4  -0.080236   0.114839   0.066366
-    1SOL     H5    5  -0.117022   0.074673  -0.012346
-    1SOL     H6    6  -0.003090   0.061880   0.086521
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076459   0.054892   0.123435
-    0SOL     H2    2  -0.010027   0.065726   0.055378
-    0SOL     H3    3  -0.150174   0.013407   0.078631
-    1SOL     O4    4   0.078477  -0.050412  -0.110628
-    1SOL     H5    5   0.110066  -0.022333  -0.196511
-    1SOL     H6    6   0.022473  -0.125802  -0.129128
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123858  -0.058256  -0.073268
-    0SOL     H2    2  -0.065266  -0.009731  -0.131360
-    0SOL     H3    3  -0.067087  -0.090162  -0.003116
-    1SOL     O4    4   0.118127   0.054006   0.067075
-    1SOL     H5    5   0.129336   0.147449   0.084539
-    1SOL     H6    6   0.095446   0.016259   0.152063
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047732  -0.037996   0.141798
-    0SOL     H2    2  -0.012470  -0.019171   0.054824
-    0SOL     H3    3   0.024100  -0.017713   0.201723
-    1SOL     O4    4   0.038463   0.035025  -0.134330
-    1SOL     H5    5   0.040768  -0.026687  -0.207464
-    1SOL     H6    6   0.091780   0.108934  -0.163606
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101077  -0.090546  -0.076403
-    0SOL     H2    2   0.029102  -0.153392  -0.070726
-    0SOL     H3    3   0.058071  -0.005154  -0.080987
-    1SOL     O4    4  -0.089100   0.092638   0.074002
-    1SOL     H5    5  -0.105423   0.059419   0.162276
-    1SOL     H6    6  -0.165472   0.064885   0.023412
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032446  -0.006315   0.156091
-    0SOL     H2    2  -0.051669  -0.042158   0.069442
-    0SOL     H3    3   0.018529   0.072787   0.138572
-    1SOL     O4    4   0.025223  -0.002035  -0.149213
-    1SOL     H5    5   0.118562  -0.007719  -0.128773
-    1SOL     H6    6   0.010719   0.090339  -0.169682
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027899  -0.119905   0.082703
-    0SOL     H2    2   0.029874  -0.196125   0.086594
-    0SOL     H3    3  -0.109049  -0.153232   0.044411
-    1SOL     O4    4   0.025735   0.130932  -0.084609
-    1SOL     H5    5  -0.010082   0.060044  -0.031182
-    1SOL     H6    6   0.120580   0.123218  -0.074257
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.117525  -0.071863   0.073860
-    0SOL     H2    2  -0.096577  -0.076800   0.167129
-    0SOL     H3    3  -0.044191  -0.023934   0.035297
-    1SOL     O4    4   0.113559   0.069760  -0.071338
-    1SOL     H5    5   0.032245   0.094766  -0.115212
-    1SOL     H6    6   0.171708   0.042468  -0.142304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063119   0.041671   0.127265
-    0SOL     H2    2   0.006742   0.063224   0.201558
-    0SOL     H3    3   0.151772   0.042595   0.163350
-    1SOL     O4    4  -0.071425  -0.047373  -0.137196
-    1SOL     H5    5  -0.018375   0.011884  -0.190456
-    1SOL     H6    6  -0.032786  -0.042156  -0.049776
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068093   0.124289   0.055399
-    0SOL     H2    2  -0.112115   0.204039   0.026001
-    0SOL     H3    3  -0.032039   0.146983   0.141116
-    1SOL     O4    4   0.069320  -0.138147  -0.058149
-    1SOL     H5    5   0.117448  -0.081489  -0.118447
-    1SOL     H6    6   0.010715  -0.078853  -0.011116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029689  -0.092087   0.133964
-    0SOL     H2    2   0.036093  -0.031680   0.168402
-    0SOL     H3    3  -0.037507  -0.068852   0.041436
-    1SOL     O4    4   0.027068   0.081676  -0.132015
-    1SOL     H5    5  -0.045765   0.140055  -0.153220
-    1SOL     H6    6   0.086483   0.135463  -0.079678
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044404   0.143684   0.063708
-    0SOL     H2    2  -0.050574   0.150047   0.053664
-    0SOL     H3    3   0.075848   0.116103  -0.022391
-    1SOL     O4    4  -0.038887  -0.145141  -0.063935
-    1SOL     H5    5  -0.128257  -0.123430  -0.037402
-    1SOL     H6    6   0.015177  -0.119854   0.010899
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096474   0.067192   0.113844
-    0SOL     H2    2  -0.107030  -0.010039   0.169400
-    0SOL     H3    3  -0.015194   0.051302   0.065851
-    1SOL     O4    4   0.091725  -0.059454  -0.107259
-    1SOL     H5    5   0.116616  -0.006769  -0.183200
-    1SOL     H6    6   0.076465  -0.147025  -0.142765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125616   0.060040  -0.085588
-    0SOL     H2    2   0.213640   0.022474  -0.087318
-    0SOL     H3    3   0.076128   0.002540  -0.027218
-    1SOL     O4    4  -0.121461  -0.053984   0.080572
-    1SOL     H5    5  -0.183553   0.014724   0.104783
-    1SOL     H6    6  -0.168856  -0.135697   0.096031
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052622   0.141736   0.044523
-    0SOL     H2    2   0.027868   0.233024   0.059225
-    0SOL     H3    3   0.116696   0.122903   0.113095
-    1SOL     O4    4  -0.053735  -0.149581  -0.054069
-    1SOL     H5    5  -0.093302  -0.167353   0.031260
-    1SOL     H6    6  -0.026834  -0.057837  -0.049408
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.141117   0.074840   0.005961
-    0SOL     H2    2  -0.223479   0.048635   0.047097
-    0SOL     H3    3  -0.105295   0.141652   0.064401
-    1SOL     O4    4   0.143191  -0.083048  -0.016210
-    1SOL     H5    5   0.222040  -0.053107   0.029052
-    1SOL     H6    6   0.075027  -0.021688   0.011193
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044092   0.142367  -0.080919
-    0SOL     H2    2  -0.011003   0.054694  -0.061403
-    0SOL     H3    3  -0.039640   0.188849   0.002639
-    1SOL     O4    4   0.045867  -0.136135   0.073500
-    1SOL     H5    5   0.028060  -0.169483   0.161439
-    1SOL     H6    6  -0.014743  -0.184002   0.016953
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002249   0.148753  -0.091493
-    0SOL     H2    2   0.008810   0.056930  -0.117722
-    0SOL     H3    3  -0.052224   0.147399  -0.012796
-    1SOL     O4    4   0.004473  -0.143529   0.083285
-    1SOL     H5    5   0.013767  -0.088989   0.161396
-    1SOL     H6    6  -0.074820  -0.194766   0.099086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044450  -0.007654   0.167239
-    0SOL     H2    2  -0.033600  -0.030430   0.217753
-    0SOL     H3    3   0.050367  -0.075729   0.100209
-    1SOL     O4    4  -0.040709   0.018274  -0.163165
-    1SOL     H5    5   0.032054  -0.018946  -0.212989
-    1SOL     H6    6  -0.110695  -0.046577  -0.170821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134977  -0.114965   0.046441
-    0SOL     H2    2  -0.065885  -0.052543   0.024259
-    0SOL     H3    3  -0.177212  -0.077542   0.123759
-    1SOL     O4    4   0.132659   0.102651  -0.047083
-    1SOL     H5    5   0.065515   0.163544  -0.077839
-    1SOL     H6    6   0.214500   0.151860  -0.053636
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.129210  -0.121312   0.051564
-    0SOL     H2    2  -0.108415  -0.055060  -0.014320
-    0SOL     H3    3  -0.069382  -0.193593   0.032629
-    1SOL     O4    4   0.118614   0.118760  -0.048479
-    1SOL     H5    5   0.155800   0.111566   0.039429
-    1SOL     H6    6   0.181030   0.173114  -0.096565
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124598   0.119392   0.065049
-    0SOL     H2    2   0.067146   0.050934   0.030770
-    0SOL     H3    3   0.067651   0.173208   0.120033
-    1SOL     O4    4  -0.119208  -0.115093  -0.071763
-    1SOL     H5    5  -0.060668  -0.188899  -0.054790
-    1SOL     H6    6  -0.169281  -0.105066   0.009197
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108784  -0.096467   0.095093
-    0SOL     H2    2   0.151290  -0.167042   0.046362
-    0SOL     H3    3   0.147073  -0.101338   0.182686
-    1SOL     O4    4  -0.113963   0.105408  -0.091273
-    1SOL     H5    5  -0.179799   0.094640  -0.159917
-    1SOL     H6    6  -0.042550   0.047165  -0.117163
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103632   0.096258   0.124896
-    0SOL     H2    2  -0.096279   0.093829   0.029489
-    0SOL     H3    3  -0.013439   0.105133   0.155698
-    1SOL     O4    4   0.099457  -0.095470  -0.113775
-    1SOL     H5    5   0.164003  -0.099251  -0.184357
-    1SOL     H6    6   0.015427  -0.109845  -0.157302
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032594  -0.174959  -0.066231
-    0SOL     H2    2   0.000585  -0.102929  -0.119834
-    0SOL     H3    3  -0.021113  -0.145021   0.023959
-    1SOL     O4    4   0.034429   0.164884   0.066439
-    1SOL     H5    5   0.062345   0.252281   0.039148
-    1SOL     H6    6  -0.061070   0.167207   0.060366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146389   0.070376  -0.081709
-    0SOL     H2    2  -0.102040   0.008520  -0.139754
-    0SOL     H3    3  -0.239625   0.054718  -0.096683
-    1SOL     O4    4   0.149264  -0.063093   0.080332
-    1SOL     H5    5   0.094145  -0.041327   0.155502
-    1SOL     H6    6   0.210361  -0.128836   0.113609
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.081115   0.157765  -0.083376
-    0SOL     H2    2   0.099325   0.076605  -0.130745
-    0SOL     H3    3   0.101923   0.137504   0.007831
-    1SOL     O4    4  -0.083144  -0.153279   0.073680
-    1SOL     H5    5  -0.016854  -0.110820   0.128134
-    1SOL     H6    6  -0.154967  -0.172543   0.133951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.129964  -0.151738  -0.010097
-    0SOL     H2    2  -0.174553  -0.075884  -0.047786
-    0SOL     H3    3  -0.060857  -0.114265   0.044513
-    1SOL     O4    4   0.131647   0.144529   0.003086
-    1SOL     H5    5   0.073866   0.216470   0.028549
-    1SOL     H6    6   0.133462   0.086988   0.079558
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065755   0.037781  -0.178732
-    0SOL     H2    2   0.126737   0.004247  -0.244451
-    0SOL     H3    3   0.098619   0.003319  -0.095698
-    1SOL     O4    4  -0.064204  -0.033180   0.176489
-    1SOL     H5    5  -0.109947  -0.019422   0.259439
-    1SOL     H6    6  -0.133251  -0.057217   0.114707
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.174245  -0.054672   0.079174
-    0SOL     H2    2   0.098663  -0.043076   0.136751
-    0SOL     H3    3   0.149391  -0.126621   0.021141
-    1SOL     O4    4  -0.174215   0.061900  -0.076594
-    1SOL     H5    5  -0.089185   0.095299  -0.105171
-    1SOL     H6    6  -0.168196  -0.032821  -0.089003
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127757  -0.032995   0.158693
-    0SOL     H2    2   0.104160  -0.121071   0.129570
-    0SOL     H3    3   0.175565   0.004701   0.084830
-    1SOL     O4    4  -0.125720   0.042057  -0.152049
-    1SOL     H5    5  -0.217906   0.020455  -0.137999
-    1SOL     H6    6  -0.086780  -0.039042  -0.184745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140010  -0.142899   0.079279
-    0SOL     H2    2   0.091492  -0.157128  -0.001997
-    0SOL     H3    3   0.100989  -0.064070   0.117036
-    1SOL     O4    4  -0.132154   0.134245  -0.071986
-    1SOL     H5    5  -0.224012   0.152515  -0.091751
-    1SOL     H6    6  -0.083149   0.195187  -0.127186
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084782   0.153018   0.129505
-    0SOL     H2    2  -0.146149   0.086230   0.160097
-    0SOL     H3    3  -0.021364   0.161738   0.200670
-    1SOL     O4    4   0.078944  -0.148860  -0.130998
-    1SOL     H5    5   0.072487  -0.181302  -0.220821
-    1SOL     H6    6   0.172430  -0.133051  -0.117855
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024666   0.121922   0.172279
-    0SOL     H2    2  -0.027413   0.093222   0.263554
-    0SOL     H3    3  -0.046849   0.214973   0.175702
-    1SOL     O4    4   0.029660  -0.131787  -0.178330
-    1SOL     H5    5  -0.062783  -0.114672  -0.196320
-    1SOL     H6    6   0.064635  -0.047311  -0.149994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098096   0.171719   0.109468
-    0SOL     H2    2  -0.146167   0.139452   0.185694
-    0SOL     H3    3  -0.030949   0.105374   0.093593
-    1SOL     O4    4   0.093091  -0.169040  -0.117828
-    1SOL     H5    5   0.142270  -0.086934  -0.119317
-    1SOL     H6    6   0.108445  -0.204628  -0.030306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.166535  -0.028898  -0.137917
-    0SOL     H2    2   0.194972  -0.113743  -0.171903
-    0SOL     H3    3   0.240922   0.002520  -0.086518
-    1SOL     O4    4  -0.174202   0.027315   0.140646
-    1SOL     H5    5  -0.194646   0.036928   0.047630
-    1SOL     H6    6  -0.135360   0.111202   0.165475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043333  -0.077213  -0.211772
-    0SOL     H2    2  -0.095998   0.001692  -0.199015
-    0SOL     H3    3   0.044651  -0.052155  -0.183607
-    1SOL     O4    4   0.042259   0.073694   0.203566
-    1SOL     H5    5   0.080859  -0.004930   0.242175
-    1SOL     H6    6  -0.017640   0.106450   0.270659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061839   0.130171  -0.180312
-    0SOL     H2    2   0.076857   0.036188  -0.170108
-    0SOL     H3    3   0.071283   0.145923  -0.274254
-    1SOL     O4    4  -0.061093  -0.122465   0.179662
-    1SOL     H5    5  -0.147104  -0.126602   0.221462
-    1SOL     H6    6  -0.005983  -0.180309   0.232381
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065814   0.219457   0.058894
-    0SOL     H2    2  -0.020124   0.223397  -0.025125
-    0SOL     H3    3  -0.158455   0.227628   0.036239
-    1SOL     O4    4   0.065050  -0.222909  -0.058267
-    1SOL     H5    5   0.033981  -0.205001   0.030482
-    1SOL     H6    6   0.155562  -0.191772  -0.058748
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.230111  -0.058828   0.116132
-    0SOL     H2    2  -0.237811  -0.013274   0.199964
-    0SOL     H3    3  -0.296403  -0.017994   0.060452
-    1SOL     O4    4   0.231933   0.060376  -0.122208
-    1SOL     H5    5   0.219486  -0.034256  -0.129432
-    1SOL     H6    6   0.265470   0.073469  -0.033516
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.216450   0.168702   0.051305
-    0SOL     H2    2   0.165457   0.096812   0.088642
-    0SOL     H3    3   0.273741   0.197027   0.122563
-    1SOL     O4    4  -0.217328  -0.168748  -0.062993
-    1SOL     H5    5  -0.264874  -0.190796   0.017104
-    1SOL     H6    6  -0.155580  -0.100661  -0.036278
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000771   0.156101  -0.238740
-    0SOL     H2    2   0.090328   0.180328  -0.222119
-    0SOL     H3    3  -0.034456   0.129295  -0.153246
-    1SOL     O4    4  -0.005588  -0.160877   0.230552
-    1SOL     H5    5   0.077079  -0.161848   0.278796
-    1SOL     H6    6  -0.028771  -0.068203   0.224525
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115758   0.237673   0.116966
-    0SOL     H2    2  -0.137035   0.194900   0.199912
-    0SOL     H3    3  -0.112811   0.166318   0.053231
-    1SOL     O4    4   0.117179  -0.233310  -0.124045
-    1SOL     H5    5   0.103043  -0.146376  -0.086563
-    1SOL     H6    6   0.123554  -0.291388  -0.048225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011397  -0.012473  -0.291131
-    0SOL     H2    2  -0.077167   0.023836  -0.291771
-    0SOL     H3    3   0.068561   0.063497  -0.302231
-    1SOL     O4    4  -0.012495   0.008972   0.286597
-    1SOL     H5    5   0.070488   0.031421   0.328695
-    1SOL     H6    6  -0.044921  -0.066279   0.336077
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.089038   0.284667  -0.166117
-    0SOL     H2    2   0.127475   0.367829  -0.193847
-    0SOL     H3    3  -0.001792   0.289061  -0.195999
-    1SOL     O4    4  -0.081599  -0.291407   0.165292
-    1SOL     H5    5  -0.175430  -0.308185   0.156542
-    1SOL     H6    6  -0.073156  -0.245216   0.248704
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089731   0.265525   0.261592
-    0SOL     H2    2  -0.128534   0.194435   0.312610
-    0SOL     H3    3  -0.011804   0.226734   0.221780
-    1SOL     O4    4   0.086850  -0.265336  -0.258162
-    1SOL     H5    5   0.097254  -0.258582  -0.353075
-    1SOL     H6    6   0.087317  -0.174676  -0.227456
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.193218   0.017753  -0.335645
-    0SOL     H2    2   0.139063   0.033220  -0.258248
-    0SOL     H3    3   0.276300  -0.014519  -0.300744
-    1SOL     O4    4  -0.190919  -0.021961   0.333319
-    1SOL     H5    5  -0.271084   0.022967   0.360102
-    1SOL     H6    6  -0.168587   0.017116   0.248840
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128185  -0.113009   0.439327
-    0SOL     H2    2  -0.058083  -0.060505   0.477944
-    0SOL     H3    3  -0.165640  -0.161054   0.513159
-    1SOL     O4    4   0.130380   0.111854  -0.451983
-    1SOL     H5    5   0.040591   0.079987  -0.442773
-    1SOL     H6    6   0.147713   0.158703  -0.370331
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.340035   0.221724   0.250266
-    0SOL     H2    2  -0.368983   0.217198   0.159140
-    0SOL     H3    3  -0.338750   0.315289   0.270420
-    1SOL     O4    4   0.345795  -0.227462  -0.240837
-    1SOL     H5    5   0.363792  -0.254971  -0.330735
-    1SOL     H6    6   0.256246  -0.193757  -0.243526
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.393880  -0.014414  -0.279837
-    0SOL     H2    2  -0.443899  -0.090145  -0.249418
-    0SOL     H3    3  -0.343027   0.012988  -0.203513
-    1SOL     O4    4   0.394781   0.011672   0.271712
-    1SOL     H5    5   0.458611   0.082970   0.273863
-    1SOL     H6    6   0.318025   0.046807   0.316837
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.130748  -0.450105  -0.118611
-    0SOL     H2    2   0.185552  -0.487784  -0.187452
-    0SOL     H3    3   0.077760  -0.384220  -0.163486
-    1SOL     O4    4  -0.129365   0.454378   0.122005
-    1SOL     H5    5  -0.182675   0.444385   0.200875
-    1SOL     H6    6  -0.102410   0.365255   0.099806
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075461   0.302763   0.380953
-    0SOL     H2    2  -0.089400   0.221642   0.429814
-    0SOL     H3    3   0.012114   0.293446   0.343454
-    1SOL     O4    4   0.072292  -0.300452  -0.375842
-    1SOL     H5    5   0.003086  -0.239946  -0.402524
-    1SOL     H6    6   0.124611  -0.313454  -0.454937
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.447103   0.271564  -0.211456
-    0SOL     H2    2  -0.432028   0.189598  -0.258537
-    0SOL     H3    3  -0.520542   0.252553  -0.153081
-    1SOL     O4    4   0.451462  -0.266850   0.216820
-    1SOL     H5    5   0.491349  -0.192562   0.171513
-    1SOL     H6    6   0.404523  -0.314381   0.148264
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.240671  -0.268886  -0.485121
-    0SOL     H2    2  -0.176259  -0.304962  -0.424195
-    0SOL     H3    3  -0.202645  -0.283580  -0.571726
-    1SOL     O4    4   0.238043   0.271852   0.492075
-    1SOL     H5    5   0.277602   0.262930   0.405369
-    1SOL     H6    6   0.143812   0.273802   0.475376
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.340298   0.510252   0.264308
-    0SOL     H2    2   0.433566   0.517476   0.284585
-    0SOL     H3    3   0.297804   0.501419   0.349623
-    1SOL     O4    4  -0.348711  -0.508104  -0.273097
-    1SOL     H5    5  -0.269110  -0.544894  -0.311469
-    1SOL     H6    6  -0.332111  -0.508069  -0.178828
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.698929   0.263012   0.100812
-    0SOL     H2    2  -0.687334   0.175217   0.137144
-    0SOL     H3    3  -0.788500   0.287123   0.124435
-    1SOL     O4    4   0.703265  -0.255684  -0.109037
-    1SOL     H5    5   0.756125  -0.255346  -0.029237
-    1SOL     H6    6   0.649023  -0.334196  -0.101561
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.552719  -0.556679  -0.015912
-    0SOL     H2    2   0.625999  -0.511239  -0.057476
-    0SOL     H3    3   0.515322  -0.492095   0.044027
-    1SOL     O4    4  -0.554377   0.549610   0.020440
-    1SOL     H5    5  -0.544736   0.628447  -0.032984
-    1SOL     H6    6  -0.574041   0.480225  -0.042499
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.352853   0.727194   0.033302
-    0SOL     H2    2  -0.315150   0.790509  -0.027788
-    0SOL     H3    3  -0.286528   0.658578   0.040724
-    1SOL     O4    4   0.347261  -0.720571  -0.027083
-    1SOL     H5    5   0.361362  -0.739090  -0.119929
-    1SOL     H6    6   0.328238  -0.805945   0.011798
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059628   0.087440   0.050884
-    0SOL     H2    2  -0.100019   0.047138   0.127739
-    0SOL     H3    3  -0.116185   0.161871   0.030302
-    1SOL     O4    4   0.071121  -0.089135  -0.058182
-    1SOL     H5    5   0.023772  -0.170607  -0.041369
-    1SOL     H6    6   0.022915  -0.022748  -0.008874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018777   0.094645  -0.076947
-    0SOL     H2    2  -0.108353   0.108892  -0.107531
-    0SOL     H3    3   0.030947   0.075388  -0.156439
-    1SOL     O4    4   0.022960  -0.101042   0.082637
-    1SOL     H5    5   0.007718  -0.037259   0.012911
-    1SOL     H6    6   0.006616  -0.052538   0.163523
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001349  -0.060613   0.118382
-    0SOL     H2    2  -0.019553  -0.009564   0.039484
-    0SOL     H3    3   0.091297  -0.044689   0.136424
-    1SOL     O4    4  -0.008404   0.057924  -0.110970
-    1SOL     H5    5   0.073789   0.106977  -0.111549
-    1SOL     H6    6   0.003965  -0.010409  -0.176848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043124   0.118955   0.044327
-    0SOL     H2    2  -0.006199   0.034984   0.016982
-    0SOL     H3    3  -0.088555   0.151624  -0.033334
-    1SOL     O4    4   0.038848  -0.114544  -0.042096
-    1SOL     H5    5   0.034511  -0.165927   0.038547
-    1SOL     H6    6   0.132333  -0.099173  -0.055760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016820   0.101473   0.084810
-    0SOL     H2    2   0.047470   0.118670   0.153610
-    0SOL     H3    3   0.024417   0.035149   0.029466
-    1SOL     O4    4   0.011900  -0.092870  -0.081985
-    1SOL     H5    5   0.012682  -0.182491  -0.048370
-    1SOL     H6    6  -0.010062  -0.102198  -0.174683
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130836  -0.030651  -0.043211
-    0SOL     H2    2  -0.037394  -0.041214  -0.061079
-    0SOL     H3    3  -0.134375   0.006176   0.045070
-    1SOL     O4    4   0.121696   0.025674   0.043066
-    1SOL     H5    5   0.176300  -0.007099  -0.028395
-    1SOL     H6    6   0.131356   0.120816   0.038960
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002667   0.114507   0.057038
-    0SOL     H2    2   0.068981   0.145015   0.112700
-    0SOL     H3    3  -0.077221   0.169219   0.081746
-    1SOL     O4    4   0.001876  -0.125086  -0.066448
-    1SOL     H5    5   0.059268  -0.126689   0.010141
-    1SOL     H6    6  -0.035586  -0.037001  -0.066526
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024358   0.044322   0.125666
-    0SOL     H2    2  -0.002347  -0.019426   0.191889
-    0SOL     H3    3   0.113277   0.018216   0.101704
-    1SOL     O4    4  -0.028749  -0.035532  -0.133606
-    1SOL     H5    5  -0.012895  -0.003954  -0.044647
-    1SOL     H6    6  -0.029104  -0.130908  -0.125509
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106126  -0.078556  -0.008736
-    0SOL     H2    2   0.190211  -0.034313   0.002862
-    0SOL     H3    3   0.113184  -0.157831   0.044443
-    1SOL     O4    4  -0.111778   0.086133   0.002368
-    1SOL     H5    5  -0.177088   0.043852   0.058130
-    1SOL     H6    6  -0.040137   0.022869  -0.002888
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062168  -0.082697  -0.097081
-    0SOL     H2    2  -0.123265  -0.034933  -0.153188
-    0SOL     H3    3  -0.009061  -0.014518  -0.055928
-    1SOL     O4    4   0.064996   0.072770   0.092377
-    1SOL     H5    5   0.030379   0.038393   0.174731
-    1SOL     H6    6   0.058732   0.167844   0.101537
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028902   0.104964   0.082062
-    0SOL     H2    2   0.108061   0.070300   0.040896
-    0SOL     H3    3   0.058349   0.137414   0.167164
-    1SOL     O4    4  -0.040746  -0.108703  -0.084216
-    1SOL     H5    5  -0.019987  -0.022125  -0.049064
-    1SOL     H6    6   0.037083  -0.133672  -0.134030
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.093719  -0.031499  -0.089704
-    0SOL     H2    2   0.187681  -0.021244  -0.104813
-    0SOL     H3    3   0.062111  -0.079071  -0.166516
-    1SOL     O4    4  -0.097475   0.038238   0.100289
-    1SOL     H5    5  -0.029123   0.017440   0.036589
-    1SOL     H6    6  -0.170726  -0.018509   0.076279
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.081277   0.078500  -0.090624
-    0SOL     H2    2   0.045151   0.027997  -0.017777
-    0SOL     H3    3   0.038602   0.163931  -0.084095
-    1SOL     O4    4  -0.079773  -0.076616   0.081887
-    1SOL     H5    5  -0.042552  -0.052333   0.166664
-    1SOL     H6    6  -0.063209  -0.170597   0.074437
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105151  -0.073596  -0.072235
-    0SOL     H2    2   0.038167  -0.072899  -0.003861
-    0SOL     H3    3   0.135596   0.017032  -0.076930
-    1SOL     O4    4  -0.096898   0.066181   0.071357
-    1SOL     H5    5  -0.178181   0.016195   0.063817
-    1SOL     H6    6  -0.117329   0.151226   0.032468
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131626  -0.055676   0.032729
-    0SOL     H2    2   0.157349   0.021442   0.083261
-    0SOL     H3    3   0.052979  -0.028304  -0.014470
-    1SOL     O4    4  -0.121787   0.047935  -0.034559
-    1SOL     H5    5  -0.162243   0.133677  -0.047746
-    1SOL     H6    6  -0.190286  -0.004870   0.006449
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122487   0.057930   0.051380
-    0SOL     H2    2   0.054506   0.022558  -0.005976
-    0SOL     H3    3   0.195928  -0.002705   0.041781
-    1SOL     O4    4  -0.122428  -0.047059  -0.052484
-    1SOL     H5    5  -0.138933  -0.040271   0.041558
-    1SOL     H6    6  -0.110038  -0.140701  -0.067977
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.069670  -0.128524  -0.010797
-    0SOL     H2    2  -0.008509  -0.055004  -0.014871
-    0SOL     H3    3  -0.035618  -0.184217   0.059212
-    1SOL     O4    4   0.069353   0.124349   0.004030
-    1SOL     H5    5   0.062707   0.162845   0.091415
-    1SOL     H6    6  -0.018496   0.133343  -0.032902
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128437  -0.040642  -0.032449
-    0SOL     H2    2  -0.119689  -0.116167   0.025703
-    0SOL     H3    3  -0.204141  -0.061221  -0.087291
-    1SOL     O4    4   0.134845   0.051050   0.026863
-    1SOL     H5    5   0.174695   0.031381   0.111641
-    1SOL     H6    6   0.054702  -0.001267   0.025300
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065994  -0.127475  -0.041043
-    0SOL     H2    2  -0.023621  -0.117863  -0.126334
-    0SOL     H3    3  -0.062540  -0.039914  -0.002526
-    1SOL     O4    4   0.062651   0.116103   0.039586
-    1SOL     H5    5   0.096338   0.202089   0.014407
-    1SOL     H6    6   0.040408   0.125232   0.132237
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052586   0.092429  -0.088569
-    0SOL     H2    2  -0.008740   0.134760  -0.148649
-    0SOL     H3    3   0.137998   0.102147  -0.130671
-    1SOL     O4    4  -0.051759  -0.100989   0.095326
-    1SOL     H5    5  -0.103909  -0.051764   0.158726
-    1SOL     H6    6  -0.045909  -0.043334   0.019142
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125911  -0.036250   0.071073
-    0SOL     H2    2   0.043282  -0.009821   0.030623
-    0SOL     H3    3   0.104119  -0.050277   0.163217
-    1SOL     O4    4  -0.119440   0.031407  -0.068337
-    1SOL     H5    5  -0.144057   0.123904  -0.067553
-    1SOL     H6    6  -0.112141   0.009302  -0.161183
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039734   0.077870   0.112035
-    0SOL     H2    2   0.052907   0.127325   0.031146
-    0SOL     H3    3   0.048195   0.143023   0.181646
-    1SOL     O4    4  -0.040374  -0.087776  -0.118020
-    1SOL     H5    5  -0.086845  -0.008483  -0.091276
-    1SOL     H6    6  -0.004086  -0.122904  -0.036708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016901  -0.063498  -0.127613
-    0SOL     H2    2  -0.039646  -0.144829  -0.172672
-    0SOL     H3    3  -0.099599  -0.032640  -0.090585
-    1SOL     O4    4   0.017804   0.070020   0.128535
-    1SOL     H5    5   0.077857   0.057110   0.055122
-    1SOL     H6    6   0.051094   0.012253   0.197216
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018216  -0.142298   0.015574
-    0SOL     H2    2   0.025483  -0.161420   0.098562
-    0SOL     H3    3  -0.110861  -0.134727   0.038422
-    1SOL     O4    4   0.016980   0.146044  -0.025583
-    1SOL     H5    5   0.028319   0.051823  -0.013087
-    1SOL     H6    6   0.075935   0.186000   0.038371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071080   0.114756   0.045184
-    0SOL     H2    2  -0.056065   0.194471  -0.005634
-    0SOL     H3    3  -0.036741   0.134956   0.132219
-    1SOL     O4    4   0.067347  -0.126629  -0.046610
-    1SOL     H5    5   0.132167  -0.080653  -0.099966
-    1SOL     H6    6   0.023383  -0.057369   0.002712
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.147321   0.032834   0.021243
-    0SOL     H2    2  -0.138728   0.092130  -0.053407
-    0SOL     H3    3  -0.062481  -0.011131   0.026858
-    1SOL     O4    4   0.137204  -0.029774  -0.019818
-    1SOL     H5    5   0.153842  -0.121980  -0.039402
-    1SOL     H6    6   0.205961  -0.005636   0.042248
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137276  -0.000420  -0.031734
-    0SOL     H2    2  -0.177526  -0.061165  -0.093800
-    0SOL     H3    3  -0.193928   0.076714  -0.033475
-    1SOL     O4    4   0.148130   0.003697   0.035047
-    1SOL     H5    5   0.132194  -0.064220   0.100588
-    1SOL     H6    6   0.073459  -0.002448  -0.024526
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067416   0.108245   0.075336
-    0SOL     H2    2  -0.039907   0.018954   0.096138
-    0SOL     H3    3  -0.024591   0.162577   0.141490
-    1SOL     O4    4   0.063507  -0.100525  -0.076550
-    1SOL     H5    5   0.131414  -0.130796  -0.136838
-    1SOL     H6    6  -0.004866  -0.167297  -0.081934
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093352   0.071417  -0.096826
-    0SOL     H2    2  -0.034579   0.057024  -0.170994
-    0SOL     H3    3  -0.076391  -0.002257  -0.038116
-    1SOL     O4    4   0.090492  -0.071072   0.095236
-    1SOL     H5    5   0.139572   0.011065   0.097883
-    1SOL     H6    6   0.009504  -0.052174   0.142628
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006900  -0.103731   0.115266
-    0SOL     H2    2   0.011727  -0.130774   0.023572
-    0SOL     H3    3   0.042290  -0.014797   0.115952
-    1SOL     O4    4  -0.008006   0.094307  -0.112288
-    1SOL     H5    5   0.049995   0.169427  -0.099833
-    1SOL     H6    6  -0.090778   0.121009  -0.072313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113831   0.092153   0.012082
-    0SOL     H2    2   0.189620   0.069315  -0.041741
-    0SOL     H3    3   0.071220   0.163450  -0.035493
-    1SOL     O4    4  -0.120310  -0.091713  -0.010557
-    1SOL     H5    5  -0.024778  -0.092747  -0.016474
-    1SOL     H6    6  -0.140105  -0.143926   0.067188
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136258  -0.021177   0.052365
-    0SOL     H2    2  -0.199643   0.048794   0.068138
-    0SOL     H3    3  -0.158064  -0.054106  -0.034827
-    1SOL     O4    4   0.144180   0.023486  -0.050521
-    1SOL     H5    5   0.051060   0.003035  -0.059051
-    1SOL     H6    6   0.180138  -0.049156   0.000395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006270  -0.014158   0.154480
-    0SOL     H2    2   0.033057   0.068321   0.182994
-    0SOL     H3    3   0.004953  -0.014497   0.059421
-    1SOL     O4    4   0.006931   0.005167  -0.147378
-    1SOL     H5    5   0.024088   0.098241  -0.161702
-    1SOL     H6    6  -0.075607  -0.011314  -0.192965
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030291   0.146845   0.010264
-    0SOL     H2    2   0.084231   0.133048   0.088126
-    0SOL     H3    3  -0.057393   0.164090   0.044562
-    1SOL     O4    4  -0.023436  -0.149087  -0.012476
-    1SOL     H5    5  -0.092893  -0.198965  -0.055489
-    1SOL     H6    6  -0.031103  -0.060915  -0.048933
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078716   0.126125   0.031407
-    0SOL     H2    2   0.160670   0.145998  -0.013880
-    0SOL     H3    3   0.097820   0.047185   0.082062
-    1SOL     O4    4  -0.089735  -0.125647  -0.035175
-    1SOL     H5    5  -0.042952  -0.154178   0.043309
-    1SOL     H6    6  -0.051839  -0.040249  -0.055989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054148  -0.016715   0.140335
-    0SOL     H2    2  -0.040793   0.077959   0.135766
-    0SOL     H3    3  -0.149222  -0.027658   0.138467
-    1SOL     O4    4   0.063870   0.014793  -0.143899
-    1SOL     H5    5   0.044252  -0.075644  -0.119432
-    1SOL     H6    6  -0.004292   0.066570  -0.101057
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080002   0.087828   0.093236
-    0SOL     H2    2  -0.134208   0.138761   0.032987
-    0SOL     H3    3  -0.133746   0.011796   0.115441
-    1SOL     O4    4   0.085613  -0.093009  -0.090437
-    1SOL     H5    5   0.084159  -0.028952  -0.019325
-    1SOL     H6    6   0.103252  -0.041251  -0.169001
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040184  -0.088189   0.125145
-    0SOL     H2    2   0.114346  -0.070680   0.067217
-    0SOL     H3    3  -0.035105  -0.094818   0.066409
-    1SOL     O4    4  -0.039992   0.094207  -0.115521
-    1SOL     H5    5   0.007429   0.060219  -0.191405
-    1SOL     H6    6  -0.090348   0.019475  -0.083245
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113652   0.096758  -0.036158
-    0SOL     H2    2   0.063988   0.151777  -0.096728
-    0SOL     H3    3   0.133338   0.017612  -0.086265
-    1SOL     O4    4  -0.114586  -0.102301   0.042638
-    1SOL     H5    5  -0.045409  -0.070925  -0.015606
-    1SOL     H6    6  -0.140215  -0.025165   0.093191
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.143598  -0.020217  -0.045786
-    0SOL     H2    2   0.219898   0.014701   0.000272
-    0SOL     H3    3   0.168723  -0.109448  -0.069636
-    1SOL     O4    4  -0.152867   0.020890   0.039247
-    1SOL     H5    5  -0.063073   0.054022   0.037972
-    1SOL     H6    6  -0.183251   0.037338   0.128514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063565   0.050787   0.132171
-    0SOL     H2    2   0.027462   0.064302   0.158511
-    0SOL     H3    3  -0.109458   0.030867   0.213776
-    1SOL     O4    4   0.068015  -0.048123  -0.138008
-    1SOL     H5    5  -0.000999  -0.038873  -0.072329
-    1SOL     H6    6   0.026405  -0.095481  -0.210037
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033957  -0.154288   0.013250
-    0SOL     H2    2   0.118574  -0.198258   0.021551
-    0SOL     H3    3   0.026135  -0.102029   0.093063
-    1SOL     O4    4  -0.044496   0.154113  -0.017307
-    1SOL     H5    5   0.018323   0.098640   0.028941
-    1SOL     H6    6   0.008849   0.205117  -0.078260
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.114948   0.105613   0.042135
-    0SOL     H2    2  -0.170493   0.092998   0.119063
-    0SOL     H3    3  -0.074238   0.020199   0.027662
-    1SOL     O4    4   0.118520  -0.104225  -0.041104
-    1SOL     H5    5   0.039655  -0.119981  -0.093010
-    1SOL     H6    6   0.146857  -0.016411  -0.066558
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127417   0.097214   0.000675
-    0SOL     H2    2   0.044348   0.115751  -0.043122
-    0SOL     H3    3   0.139363   0.170251   0.061381
-    1SOL     O4    4  -0.127503  -0.102977  -0.007126
-    1SOL     H5    5  -0.140252  -0.063126   0.078965
-    1SOL     H6    6  -0.039723  -0.140948  -0.003233
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067446  -0.095159   0.115980
-    0SOL     H2    2  -0.050414  -0.033937   0.044398
-    0SOL     H3    3  -0.134116  -0.154523   0.081436
-    1SOL     O4    4   0.073994   0.089443  -0.112179
-    1SOL     H5    5   0.002551   0.127344  -0.163381
-    1SOL     H6    6   0.078917   0.144081  -0.033739
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.117780  -0.099118  -0.056925
-    0SOL     H2    2  -0.046581  -0.133940  -0.110594
-    0SOL     H3    3  -0.136567  -0.013229  -0.094774
-    1SOL     O4    4   0.118441   0.090921   0.064362
-    1SOL     H5    5   0.035384   0.086171   0.017019
-    1SOL     H6    6   0.133433   0.184586   0.077184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066860  -0.086277  -0.124447
-    0SOL     H2    2   0.125345  -0.099766  -0.049883
-    0SOL     H3    3  -0.014392  -0.130294  -0.099487
-    1SOL     O4    4  -0.069140   0.094144   0.117048
-    1SOL     H5    5  -0.017758   0.032383   0.065012
-    1SOL     H6    6  -0.054352   0.067253   0.207714
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003878   0.061309  -0.158707
-    0SOL     H2    2  -0.014140   0.001545  -0.086140
-    0SOL     H3    3  -0.016705   0.010597  -0.237237
-    1SOL     O4    4  -0.000147  -0.058427   0.153927
-    1SOL     H5    5   0.034793   0.023502   0.188987
-    1SOL     H6    6  -0.067039  -0.084950   0.217049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029643  -0.170634  -0.028523
-    0SOL     H2    2  -0.034560  -0.144759   0.063502
-    0SOL     H3    3  -0.088718  -0.110303  -0.073606
-    1SOL     O4    4   0.037015   0.170151   0.022726
-    1SOL     H5    5   0.062313   0.112151   0.094547
-    1SOL     H6    6  -0.054160   0.147413   0.004493
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068254  -0.116705   0.108275
-    0SOL     H2    2   0.067720  -0.093213   0.201066
-    0SOL     H3    3   0.072149  -0.212344   0.107755
-    1SOL     O4    4  -0.064104   0.124156  -0.116417
-    1SOL     H5    5  -0.154907   0.147901  -0.097626
-    1SOL     H6    6  -0.052687   0.038497  -0.075251
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089674  -0.106726   0.117304
-    0SOL     H2    2  -0.072261  -0.125417   0.209552
-    0SOL     H3    3  -0.092263  -0.011175   0.112251
-    1SOL     O4    4   0.090392   0.102507  -0.116526
-    1SOL     H5    5   0.145680   0.090510  -0.193738
-    1SOL     H6    6   0.001814   0.111680  -0.151627
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044500  -0.178043  -0.024371
-    0SOL     H2    2   0.060866  -0.248903   0.037865
-    0SOL     H3    3   0.037550  -0.099529   0.029939
-    1SOL     O4    4  -0.042809   0.182328   0.013003
-    1SOL     H5    5  -0.131670   0.172606   0.047231
-    1SOL     H6    6   0.007863   0.114924   0.058295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102620   0.122037   0.097960
-    0SOL     H2    2  -0.085611   0.070380   0.019191
-    0SOL     H3    3  -0.084367   0.212305   0.071868
-    1SOL     O4    4   0.103331  -0.119756  -0.088426
-    1SOL     H5    5   0.073424  -0.106425  -0.178371
-    1SOL     H6    6   0.089684  -0.213096  -0.072183
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.155806  -0.102961   0.038967
-    0SOL     H2    2  -0.146506  -0.154624  -0.041076
-    0SOL     H3    3  -0.066282  -0.092108   0.071062
-    1SOL     O4    4   0.150524   0.099534  -0.033099
-    1SOL     H5    5   0.101496   0.114373  -0.113960
-    1SOL     H6    6   0.183245   0.186100  -0.008645
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.090486   0.161434  -0.008556
-    0SOL     H2    2  -0.134017   0.195927   0.069403
-    0SOL     H3    3  -0.158324   0.111183  -0.053668
-    1SOL     O4    4   0.101660  -0.161189   0.011022
-    1SOL     H5    5   0.033364  -0.223037  -0.014917
-    1SOL     H6    6   0.086541  -0.084298  -0.043948
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.184021  -0.031730   0.030714
-    0SOL     H2    2  -0.236618  -0.016250  -0.047748
-    0SOL     H3    3  -0.156075   0.055511   0.058470
-    1SOL     O4    4   0.189532   0.020056  -0.028318
-    1SOL     H5    5   0.202462   0.107052  -0.066092
-    1SOL     H6    6   0.107065   0.026803   0.019807
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.182019  -0.042525   0.011963
-    0SOL     H2    2   0.255301  -0.028504   0.071926
-    0SOL     H3    3   0.217751  -0.022820  -0.074623
-    1SOL     O4    4  -0.193288   0.035987  -0.009660
-    1SOL     H5    5  -0.103205   0.030563   0.022244
-    1SOL     H6    6  -0.197651   0.120158  -0.055032
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077126  -0.174759  -0.069147
-    0SOL     H2    2   0.171898  -0.178817  -0.081957
-    0SOL     H3    3   0.064818  -0.107468  -0.002194
-    1SOL     O4    4  -0.076771   0.167846   0.068216
-    1SOL     H5    5  -0.077438   0.239798   0.005090
-    1SOL     H6    6  -0.168784   0.155541   0.091551
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000983  -0.025567   0.198348
-    0SOL     H2    2  -0.006660  -0.033667   0.293555
-    0SOL     H3    3  -0.090015  -0.042390   0.167481
-    1SOL     O4    4   0.006302   0.020301  -0.201638
-    1SOL     H5    5   0.060443   0.080809  -0.252332
-    1SOL     H6    6  -0.053817   0.076797  -0.153097
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024199   0.186878  -0.074070
-    0SOL     H2    2  -0.067760   0.207330  -0.091032
-    0SOL     H3    3   0.063741   0.180269  -0.160990
-    1SOL     O4    4  -0.016706  -0.189320   0.081038
-    1SOL     H5    5  -0.042882  -0.131347   0.009510
-    1SOL     H6    6  -0.098673  -0.211365   0.125283
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017930   0.051215   0.197117
-    0SOL     H2    2   0.019633  -0.008479   0.261831
-    0SOL     H3    3   0.027620   0.134136   0.211668
-    1SOL     O4    4   0.012784  -0.050803  -0.195470
-    1SOL     H5    5  -0.059812  -0.079972  -0.250618
-    1SOL     H6    6   0.089087  -0.052749  -0.253230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033632   0.040294   0.203087
-    0SOL     H2    2  -0.026136   0.120823   0.151889
-    0SOL     H3    3  -0.124159   0.039967   0.234185
-    1SOL     O4    4   0.034579  -0.041102  -0.206173
-    1SOL     H5    5   0.101125  -0.107124  -0.225537
-    1SOL     H6    6   0.030461  -0.038498  -0.110577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043084  -0.209247  -0.002820
-    0SOL     H2    2   0.042039  -0.236878  -0.036776
-    0SOL     H3    3  -0.072654  -0.141913  -0.064090
-    1SOL     O4    4   0.040588   0.209794   0.003322
-    1SOL     H5    5   0.108232   0.173326   0.060389
-    1SOL     H6    6  -0.041739   0.189782   0.047866
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070682  -0.185561   0.086884
-    0SOL     H2    2  -0.042499  -0.200757  -0.003323
-    0SOL     H3    3  -0.040771  -0.096830   0.106747
-    1SOL     O4    4   0.065598   0.187785  -0.084474
-    1SOL     H5    5   0.057759   0.111009  -0.141098
-    1SOL     H6    6   0.111899   0.155854  -0.007020
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.131974   0.134202  -0.097577
-    0SOL     H2    2  -0.054639   0.142737  -0.041820
-    0SOL     H3    3  -0.196425   0.193142  -0.058406
-    1SOL     O4    4   0.137286  -0.142017   0.093757
-    1SOL     H5    5   0.135742  -0.050297   0.066418
-    1SOL     H6    6   0.045206  -0.164775   0.106630
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135131  -0.026148   0.163198
-    0SOL     H2    2  -0.145039  -0.011659   0.069101
-    0SOL     H3    3  -0.210639  -0.079814   0.187298
-    1SOL     O4    4   0.139359   0.034660  -0.159638
-    1SOL     H5    5   0.119128  -0.018563  -0.082694
-    1SOL     H6    6   0.175988  -0.027311  -0.222728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.164145   0.143805   0.007885
-    0SOL     H2    2   0.140244   0.103693  -0.075674
-    0SOL     H3    3   0.088921   0.198437   0.030667
-    1SOL     O4    4  -0.157972  -0.150113  -0.007550
-    1SOL     H5    5  -0.183223  -0.061957  -0.034994
-    1SOL     H6    6  -0.133960  -0.140600   0.084619
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045518  -0.197703   0.068031
-    0SOL     H2    2  -0.073394  -0.275182   0.116839
-    0SOL     H3    3  -0.107856  -0.129641   0.093405
-    1SOL     O4    4   0.050199   0.203588  -0.076089
-    1SOL     H5    5   0.126270   0.146283  -0.066514
-    1SOL     H6    6  -0.015704   0.165933  -0.017770
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.172859   0.047030  -0.125838
-    0SOL     H2    2   0.244922   0.070861  -0.067518
-    0SOL     H3    3   0.205875   0.065815  -0.213698
-    1SOL     O4    4  -0.180882  -0.044998   0.123522
-    1SOL     H5    5  -0.214593  -0.072392   0.208818
-    1SOL     H6    6  -0.106010  -0.102501   0.107713
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061253  -0.186731  -0.108619
-    0SOL     H2    2  -0.108014  -0.269334  -0.120958
-    0SOL     H3    3   0.007902  -0.207459  -0.045767
-    1SOL     O4    4   0.062455   0.187251   0.101833
-    1SOL     H5    5  -0.007289   0.179093   0.166882
-    1SOL     H6    6   0.088400   0.279299   0.105879
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032295   0.111086   0.203945
-    0SOL     H2    2  -0.060725   0.122568   0.223379
-    0SOL     H3    3   0.042995   0.016625   0.192767
-    1SOL     O4    4  -0.027223  -0.111591  -0.199523
-    1SOL     H5    5   0.008403  -0.118116  -0.288126
-    1SOL     H6    6  -0.069926  -0.025959  -0.197074
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039920   0.136826  -0.197065
-    0SOL     H2    2  -0.000624   0.051571  -0.178363
-    0SOL     H3    3  -0.113403   0.143282  -0.136067
-    1SOL     O4    4   0.036929  -0.134957   0.195577
-    1SOL     H5    5   0.121891  -0.105611   0.228480
-    1SOL     H6    6   0.040147  -0.117164   0.101581
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020638   0.231702   0.011586
-    0SOL     H2    2  -0.072306   0.252779   0.020500
-    0SOL     H3    3   0.066088   0.308396   0.046438
-    1SOL     O4    4  -0.020473  -0.233944  -0.008227
-    1SOL     H5    5   0.016771  -0.186977  -0.082855
-    1SOL     H6    6  -0.016401  -0.326187  -0.033467
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057892  -0.042255  -0.225055
-    0SOL     H2    2  -0.040837  -0.132276  -0.252760
-    0SOL     H3    3  -0.038785   0.010707  -0.302465
-    1SOL     O4    4   0.054534   0.049645   0.234238
-    1SOL     H5    5   0.121248  -0.016545   0.252417
-    1SOL     H6    6   0.010084   0.017955   0.155611
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039390   0.150065  -0.193674
-    0SOL     H2    2   0.131101   0.157849  -0.219961
-    0SOL     H3    3  -0.008138   0.205284  -0.255756
-    1SOL     O4    4  -0.037734  -0.147584   0.200863
-    1SOL     H5    5  -0.052462  -0.224896   0.255344
-    1SOL     H6    6  -0.085338  -0.165884   0.119861
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102648   0.215615  -0.090574
-    0SOL     H2    2  -0.047922   0.148446  -0.131265
-    0SOL     H3    3  -0.071119   0.298007  -0.127719
-    1SOL     O4    4   0.092990  -0.213080   0.092320
-    1SOL     H5    5   0.175349  -0.229989   0.046567
-    1SOL     H6    6   0.103752  -0.255354   0.177523
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050501   0.120852  -0.233298
-    0SOL     H2    2   0.086633   0.102192  -0.146646
-    0SOL     H3    3  -0.029603   0.170233  -0.215773
-    1SOL     O4    4  -0.047166  -0.118838   0.232670
-    1SOL     H5    5  -0.118560  -0.179140   0.211960
-    1SOL     H6    6   0.011182  -0.123821   0.156954
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.239594  -0.128971   0.044139
-    0SOL     H2    2   0.147310  -0.129756   0.018733
-    0SOL     H3    3   0.285217  -0.093680  -0.032251
-    1SOL     O4    4  -0.236937   0.123190  -0.044118
-    1SOL     H5    5  -0.312204   0.172028  -0.010772
-    1SOL     H6    6  -0.165989   0.143984   0.016680
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128869  -0.006004  -0.246200
-    0SOL     H2    2  -0.173943  -0.043267  -0.321977
-    0SOL     H3    3  -0.130654  -0.075659  -0.180570
-    1SOL     O4    4   0.132598   0.007238   0.244953
-    1SOL     H5    5   0.186021   0.048736   0.312675
-    1SOL     H6    6   0.069209   0.074430   0.219865
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.156591  -0.067500  -0.222040
-    0SOL     H2    2   0.170005   0.006530  -0.281218
-    0SOL     H3    3   0.229675  -0.062519  -0.160426
-    1SOL     O4    4  -0.165687   0.060517   0.225617
-    1SOL     H5    5  -0.154016   0.050858   0.131104
-    1SOL     H6    6  -0.096010   0.120434   0.252403
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.271360  -0.084576   0.006445
-    0SOL     H2    2  -0.356558  -0.128039   0.002618
-    0SOL     H3    3  -0.276762  -0.015335  -0.059426
-    1SOL     O4    4   0.274356   0.087855  -0.005874
-    1SOL     H5    5   0.347381   0.030246  -0.028478
-    1SOL     H6    6   0.243687   0.055603   0.078870
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-    6
-    0SOL     O1    1  -0.021382   0.309742  -0.045595
-    0SOL     H2    2  -0.073109   0.338066   0.029799
-    0SOL     H3    3   0.038287   0.243727  -0.010325
-    1SOL     O4    4   0.024709  -0.312329   0.035200
-    1SOL     H5    5   0.055336  -0.259805   0.109130
-    1SOL     H6    6  -0.065960  -0.284626   0.022008
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.206749   0.291501  -0.079752
-    0SOL     H2    2   0.203694   0.312519   0.013582
-    0SOL     H3    3   0.264516   0.357880  -0.117422
-    1SOL     O4    4  -0.216165  -0.296860   0.074479
-    1SOL     H5    5  -0.166261  -0.216141   0.086984
-    1SOL     H6    6  -0.153159  -0.366898   0.091429
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097398  -0.356388  -0.106000
-    0SOL     H2    2  -0.053233  -0.439009  -0.086369
-    0SOL     H3    3  -0.044154  -0.316471  -0.174804
-    1SOL     O4    4   0.086134   0.363055   0.109487
-    1SOL     H5    5   0.105745   0.310288   0.032070
-    1SOL     H6    6   0.160998   0.349270   0.167519
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.393551   0.023168   0.036760
-    0SOL     H2    2  -0.384967  -0.068248   0.063813
-    0SOL     H3    3  -0.411468   0.018818  -0.057167
-    1SOL     O4    4   0.389696  -0.013500  -0.035637
-    1SOL     H5    5   0.453294   0.006707   0.032988
-    1SOL     H6    6   0.403855  -0.106178  -0.054943
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104246   0.232388   0.356811
-    0SOL     H2    2   0.046158   0.170671   0.401298
-    0SOL     H3    3   0.106247   0.202252   0.265981
-    1SOL     O4    4  -0.097515  -0.226852  -0.349763
-    1SOL     H5    5  -0.184001  -0.267806  -0.352063
-    1SOL     H6    6  -0.081131  -0.200277  -0.440248
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111640   0.406151  -0.163876
-    0SOL     H2    2   0.144742   0.488038  -0.126983
-    0SOL     H3    3   0.071664   0.360818  -0.089652
-    1SOL     O4    4  -0.110165  -0.404536   0.152377
-    1SOL     H5    5  -0.065934  -0.487283   0.171319
-    1SOL     H6    6  -0.174605  -0.395160   0.222533
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.323305   0.486543   0.196638
-    0SOL     H2    2   0.387769   0.546336   0.234473
-    0SOL     H3    3   0.263837   0.466503   0.268918
-    1SOL     O4    4  -0.326575  -0.482943  -0.202861
-    1SOL     H5    5  -0.363024  -0.563816  -0.166897
-    1SOL     H6    6  -0.236151  -0.505159  -0.225047
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.651408   0.033219   0.211568
-    0SOL     H2    2   0.730639  -0.020484   0.212481
-    0SOL     H3    3   0.581941  -0.026950   0.184805
-    1SOL     O4    4  -0.651764  -0.027342  -0.216680
-    1SOL     H5    5  -0.575828  -0.005954  -0.162471
-    1SOL     H6    6  -0.724600  -0.032919  -0.154825
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161011   0.340381   0.711047
-    0SOL     H2    2  -0.182753   0.293767   0.791773
-    0SOL     H3    3  -0.172284   0.275164   0.641896
-    1SOL     O4    4   0.161515  -0.340711  -0.710384
-    1SOL     H5    5   0.181224  -0.293482  -0.791275
-    1SOL     H6    6   0.162786  -0.273377  -0.642363
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117382  -0.040007  -0.057708
-    0SOL     H2    2   0.068510   0.021631  -0.112249
-    0SOL     H3    3   0.060976  -0.054839   0.018191
-    1SOL     O4    4  -0.109462   0.034811   0.049315
-    1SOL     H5    5  -0.144974  -0.017267   0.121351
-    1SOL     H6    6  -0.098487   0.122455   0.086199
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116484   0.062672  -0.029211
-    0SOL     H2    2   0.163682  -0.020064  -0.019749
-    0SOL     H3    3   0.024640   0.039646  -0.015183
-    1SOL     O4    4  -0.114330  -0.051044   0.024919
-    1SOL     H5    5  -0.101929  -0.069410   0.118038
-    1SOL     H6    6  -0.121671  -0.137361  -0.015797
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021541   0.066189   0.116313
-    0SOL     H2    2  -0.003091   0.029681   0.031326
-    0SOL     H3    3   0.117203   0.068960   0.114426
-    1SOL     O4    4  -0.021810  -0.059850  -0.114266
-    1SOL     H5    5  -0.117449  -0.063344  -0.112474
-    1SOL     H6    6   0.005898  -0.131564  -0.057242
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099664   0.079457   0.006485
-    0SOL     H2    2  -0.144683   0.097148  -0.076115
-    0SOL     H3    3  -0.167901   0.045033   0.064114
-    1SOL     O4    4   0.108501  -0.083541   0.000296
-    1SOL     H5    5   0.047967  -0.010753   0.014429
-    1SOL     H6    6   0.129675  -0.079384  -0.092960
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033701  -0.084974  -0.093533
-    0SOL     H2    2  -0.086699  -0.148496  -0.045384
-    0SOL     H3    3   0.052379  -0.126189  -0.100867
-    1SOL     O4    4   0.034992   0.094921   0.095804
-    1SOL     H5    5   0.059376   0.072591   0.005976
-    1SOL     H6    6  -0.054176   0.061489   0.105483
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053443   0.015416  -0.126205
-    0SOL     H2    2   0.040706   0.013777  -0.031351
-    0SOL     H3    3   0.039147   0.106821  -0.150762
-    1SOL     O4    4  -0.046880  -0.016362   0.121418
-    1SOL     H5    5  -0.140615  -0.003985   0.106492
-    1SOL     H6    6  -0.037877  -0.109509   0.141542
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063245  -0.107838   0.037666
-    0SOL     H2    2   0.144080  -0.155290   0.018266
-    0SOL     H3    3   0.058106  -0.107259   0.133246
-    1SOL     O4    4  -0.068037   0.116172  -0.037370
-    1SOL     H5    5  -0.101952   0.110855  -0.126722
-    1SOL     H6    6  -0.025952   0.031480  -0.022595
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126985   0.037308  -0.043552
-    0SOL     H2    2   0.052758   0.026908   0.015985
-    0SOL     H3    3   0.202017   0.052144   0.014002
-    1SOL     O4    4  -0.129859  -0.031752   0.035684
-    1SOL     H5    5  -0.117404  -0.106755  -0.022467
-    1SOL     H6    6  -0.093675  -0.060189   0.119615
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008250   0.116982   0.067036
-    0SOL     H2    2   0.094104   0.087709   0.097606
-    0SOL     H3    3  -0.041473   0.133321   0.147179
-    1SOL     O4    4  -0.004673  -0.119789  -0.077038
-    1SOL     H5    5  -0.090500  -0.154899  -0.053302
-    1SOL     H6    6  -0.008942  -0.027358  -0.052531
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011438  -0.120642  -0.059580
-    0SOL     H2    2   0.102146  -0.151120  -0.057224
-    0SOL     H3    3  -0.035336  -0.179931  -0.000764
-    1SOL     O4    4  -0.008252   0.128475   0.057991
-    1SOL     H5    5  -0.094058   0.170680   0.062282
-    1SOL     H6    6  -0.025937   0.041810   0.021402
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026694   0.079849   0.102243
-    0SOL     H2    2   0.091617   0.148147   0.119056
-    0SOL     H3    3  -0.028803   0.079770   0.180232
-    1SOL     O4    4  -0.025550  -0.081093  -0.113149
-    1SOL     H5    5  -0.020719  -0.033796  -0.030071
-    1SOL     H6    6  -0.057485  -0.168143  -0.089385
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025677   0.105930  -0.091910
-    0SOL     H2    2   0.009960   0.051519  -0.014743
-    0SOL     H3    3  -0.061787   0.128178  -0.123806
-    1SOL     O4    4  -0.023415  -0.100229   0.085459
-    1SOL     H5    5   0.033228  -0.173739   0.062001
-    1SOL     H6    6  -0.022277  -0.098642   0.181159
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066222  -0.093738   0.090465
-    0SOL     H2    2   0.082459  -0.021375   0.150981
-    0SOL     H3    3   0.016380  -0.054398   0.018837
-    1SOL     O4    4  -0.059857   0.083287  -0.086717
-    1SOL     H5    5  -0.135137   0.126165  -0.046013
-    1SOL     H6    6  -0.063654   0.110179  -0.178503
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033412   0.129180   0.036339
-    0SOL     H2    2   0.046828   0.114883   0.086533
-    0SOL     H3    3  -0.092715   0.172517   0.097718
-    1SOL     O4    4   0.036684  -0.135094  -0.048009
-    1SOL     H5    5   0.002095  -0.048028  -0.067641
-    1SOL     H6    6  -0.001256  -0.157384   0.036996
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113746  -0.062611   0.042959
-    0SOL     H2    2  -0.207859  -0.045408   0.045976
-    0SOL     H3    3  -0.089492  -0.079423   0.134017
-    1SOL     O4    4   0.124489   0.063228  -0.048542
-    1SOL     H5    5   0.062728   0.121094  -0.093259
-    1SOL     H6    6   0.069803  -0.005677  -0.010809
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119388   0.053676  -0.056550
-    0SOL     H2    2  -0.049023   0.055597   0.008315
-    0SOL     H3    3  -0.167558   0.135124  -0.042122
-    1SOL     O4    4   0.117712  -0.051425   0.050567
-    1SOL     H5    5   0.143303  -0.120643  -0.010395
-    1SOL     H6    6   0.105975  -0.096313   0.134290
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035268  -0.124364   0.057715
-    0SOL     H2    2  -0.088138  -0.199379   0.030513
-    0SOL     H3    3   0.047902  -0.135675   0.011702
-    1SOL     O4    4   0.027927   0.131907  -0.057436
-    1SOL     H5    5   0.086348   0.177618   0.003060
-    1SOL     H6    6   0.056971   0.040745  -0.054573
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029669  -0.048406   0.125639
-    0SOL     H2    2   0.124341  -0.041534   0.137983
-    0SOL     H3    3  -0.000345  -0.101593   0.199345
-    1SOL     O4    4  -0.035327   0.057578  -0.132372
-    1SOL     H5    5  -0.039347  -0.022045  -0.185346
-    1SOL     H6    6   0.003672   0.029405  -0.049621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056765  -0.069007   0.117997
-    0SOL     H2    2  -0.008627  -0.057657   0.199949
-    0SOL     H3    3  -0.003495  -0.023987   0.052439
-    1SOL     O4    4   0.044884   0.066930  -0.116142
-    1SOL     H5    5   0.072970  -0.012933  -0.160813
-    1SOL     H6    6   0.121202   0.124587  -0.119813
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013983   0.103120   0.095377
-    0SOL     H2    2  -0.008354   0.188117   0.051717
-    0SOL     H3    3  -0.094017   0.108237   0.147634
-    1SOL     O4    4   0.013424  -0.107957  -0.100948
-    1SOL     H5    5   0.097004  -0.154488  -0.097563
-    1SOL     H6    6   0.009511  -0.059614  -0.018425
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032550   0.026304   0.136442
-    0SOL     H2    2  -0.102859  -0.032430   0.164176
-    0SOL     H3    3  -0.073933   0.112454   0.131147
-    1SOL     O4    4   0.034000  -0.030510  -0.140314
-    1SOL     H5    5   0.116549  -0.017233  -0.186916
-    1SOL     H6    6   0.048336   0.009074  -0.054349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053462  -0.128364   0.041396
-    0SOL     H2    2  -0.120838  -0.176907   0.089002
-    0SOL     H3    3  -0.077680  -0.036438   0.052602
-    1SOL     O4    4   0.059596   0.127585  -0.038853
-    1SOL     H5    5   0.066595   0.040174  -0.077227
-    1SOL     H6    6   0.039900   0.184836  -0.112994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017595   0.099580   0.113804
-    0SOL     H2    2   0.048842   0.051606   0.037094
-    0SOL     H3    3  -0.068565   0.062105   0.132091
-    1SOL     O4    4  -0.019085  -0.089270  -0.107569
-    1SOL     H5    5  -0.037142  -0.183054  -0.101178
-    1SOL     H6    6   0.063017  -0.083917  -0.156486
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008235  -0.034289  -0.136607
-    0SOL     H2    2   0.032119   0.040142  -0.191850
-    0SOL     H3    3   0.044561  -0.110405  -0.181873
-    1SOL     O4    4  -0.014558   0.033849   0.147572
-    1SOL     H5    5  -0.021855  -0.027235   0.074238
-    1SOL     H6    6   0.048185   0.099717   0.117789
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123648   0.076907  -0.015241
-    0SOL     H2    2   0.168092   0.147376   0.031888
-    0SOL     H3    3   0.040565   0.115378  -0.043158
-    1SOL     O4    4  -0.125092  -0.079999   0.008621
-    1SOL     H5    5  -0.054950  -0.144757   0.001643
-    1SOL     H6    6  -0.134369  -0.064708   0.102655
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089747  -0.116480  -0.008566
-    0SOL     H2    2  -0.033487  -0.123688  -0.085671
-    0SOL     H3    3  -0.059281  -0.185843   0.049940
-    1SOL     O4    4   0.087593   0.125721   0.013115
-    1SOL     H5    5   0.115905   0.085882  -0.069186
-    1SOL     H6    6   0.003618   0.083994   0.032337
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.094344  -0.088401   0.074323
-    0SOL     H2    2  -0.132356  -0.012650   0.029834
-    0SOL     H3    3  -0.114757  -0.162487   0.017253
-    1SOL     O4    4   0.098883   0.094032  -0.073073
-    1SOL     H5    5   0.160782   0.031201  -0.035882
-    1SOL     H6    6   0.013817   0.067467  -0.038138
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009673   0.143310  -0.025129
-    0SOL     H2    2  -0.025587   0.202927   0.040937
-    0SOL     H3    3   0.086876   0.188370  -0.059358
-    1SOL     O4    4  -0.013229  -0.154610   0.019872
-    1SOL     H5    5   0.012046  -0.146599   0.111847
-    1SOL     H6    6  -0.020016  -0.064295  -0.011105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003145  -0.132293  -0.083567
-    0SOL     H2    2  -0.088126  -0.107405  -0.047220
-    0SOL     H3    3   0.047713  -0.161446  -0.007897
-    1SOL     O4    4  -0.000427   0.131666   0.079797
-    1SOL     H5    5   0.084834   0.094937   0.103117
-    1SOL     H6    6   0.016476   0.183496   0.001119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063364  -0.042090  -0.138700
-    0SOL     H2    2  -0.019842  -0.055936  -0.183947
-    0SOL     H3    3   0.040330  -0.041368  -0.045795
-    1SOL     O4    4  -0.050922   0.042807   0.134334
-    1SOL     H5    5  -0.098675  -0.023634   0.184008
-    1SOL     H6    6  -0.116614   0.109389   0.113995
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010130  -0.076319  -0.137113
-    0SOL     H2    2   0.033384  -0.016320  -0.207977
-    0SOL     H3    3  -0.014165  -0.019163  -0.064276
-    1SOL     O4    4  -0.007753   0.064944   0.131939
-    1SOL     H5    5   0.034849   0.144594   0.163612
-    1SOL     H6    6  -0.090103   0.060816   0.180558
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133438   0.066224   0.004241
-    0SOL     H2    2   0.178331  -0.015789  -0.016270
-    0SOL     H3    3   0.196020   0.115130   0.057664
-    1SOL     O4    4  -0.143675  -0.063280  -0.000941
-    1SOL     H5    5  -0.168817  -0.096871  -0.086975
-    1SOL     H6    6  -0.049755  -0.046333  -0.008303
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052721  -0.134312  -0.070398
-    0SOL     H2    2  -0.039923  -0.124112  -0.048596
-    0SOL     H3    3   0.094924  -0.057205  -0.032505
-    1SOL     O4    4  -0.050992   0.122589   0.066940
-    1SOL     H5    5  -0.005311   0.178128   0.003765
-    1SOL     H6    6  -0.078451   0.182638   0.136238
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052864  -0.093052   0.118573
-    0SOL     H2    2   0.148266  -0.096069   0.125759
-    0SOL     H3    3   0.036441  -0.047001   0.036281
-    1SOL     O4    4  -0.059559   0.092133  -0.108528
-    1SOL     H5    5   0.009384   0.137989  -0.156552
-    1SOL     H6    6  -0.083660   0.018883  -0.165237
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040904  -0.030491  -0.142159
-    0SOL     H2    2   0.000063  -0.036841  -0.228436
-    0SOL     H3    3  -0.087714  -0.113322  -0.131664
-    1SOL     O4    4   0.045892   0.035256   0.151762
-    1SOL     H5    5   0.054389   0.017989   0.057997
-    1SOL     H6    6  -0.042559   0.070452   0.161764
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032662  -0.113576  -0.112989
-    0SOL     H2    2  -0.043992  -0.047093  -0.180916
-    0SOL     H3    3   0.003320  -0.065702  -0.038318
-    1SOL     O4    4   0.035022   0.104561   0.107064
-    1SOL     H5    5   0.012634   0.057453   0.187325
-    1SOL     H6    6  -0.007757   0.189672   0.116465
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120785   0.062164   0.078138
-    0SOL     H2    2  -0.063571   0.124110   0.123432
-    0SOL     H3    3  -0.180522   0.117248   0.027545
-    1SOL     O4    4   0.124816  -0.064884  -0.082401
-    1SOL     H5    5   0.133044  -0.155136  -0.051589
-    1SOL     H6    6   0.047455  -0.031083  -0.037289
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050947   0.090544   0.113163
-    0SOL     H2    2  -0.050380   0.045614   0.197681
-    0SOL     H3    3  -0.100834   0.170700   0.128930
-    1SOL     O4    4   0.055153  -0.096094  -0.124120
-    1SOL     H5    5  -0.005067  -0.021926  -0.118207
-    1SOL     H6    6   0.087894  -0.107595  -0.034913
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022586  -0.099016  -0.128931
-    0SOL     H2    2   0.117145  -0.109317  -0.118220
-    0SOL     H3    3  -0.003644  -0.041801  -0.056814
-    1SOL     O4    4  -0.024230   0.096996   0.117976
-    1SOL     H5    5  -0.092693   0.036407   0.146329
-    1SOL     H6    6   0.001619   0.143058   0.197803
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146973  -0.050536  -0.038264
-    0SOL     H2    2  -0.151620  -0.054070  -0.133806
-    0SOL     H3    3  -0.102852  -0.131750  -0.013364
-    1SOL     O4    4   0.149239   0.058330   0.045236
-    1SOL     H5    5   0.112873  -0.027145   0.068339
-    1SOL     H6    6   0.104961   0.082018  -0.036254
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013842  -0.002089   0.168899
-    0SOL     H2    2   0.001126   0.079386   0.120294
-    0SOL     H3    3  -0.018982  -0.070333   0.110353
-    1SOL     O4    4  -0.003876   0.002618  -0.163824
-    1SOL     H5    5  -0.043483  -0.058489  -0.101699
-    1SOL     H6    6  -0.078259   0.046959  -0.204609
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149846  -0.061521   0.030131
-    0SOL     H2    2   0.077986  -0.124710   0.032502
-    0SOL     H3    3   0.175189  -0.057448  -0.062084
-    1SOL     O4    4  -0.152344   0.066462  -0.029114
-    1SOL     H5    5  -0.060037   0.081769  -0.049296
-    1SOL     H6    6  -0.151635   0.027231   0.058195
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.160719   0.003601   0.041460
-    0SOL     H2    2   0.070621   0.027427   0.019620
-    0SOL     H3    3   0.186392   0.066275   0.109100
-    1SOL     O4    4  -0.153467  -0.014068  -0.040080
-    1SOL     H5    5  -0.211971   0.053990  -0.006799
-    1SOL     H6    6  -0.149347   0.001833  -0.134380
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066336   0.143484   0.047157
-    0SOL     H2    2  -0.148746   0.148705  -0.001253
-    0SOL     H3    3  -0.081538   0.075883   0.113197
-    1SOL     O4    4   0.073376  -0.139254  -0.055135
-    1SOL     H5    5   0.013877  -0.199694  -0.010759
-    1SOL     H6    6   0.111756  -0.087212   0.015440
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100610  -0.121902   0.033926
-    0SOL     H2    2  -0.042601  -0.191439   0.064940
-    0SOL     H3    3  -0.188158  -0.150060   0.060476
-    1SOL     O4    4   0.100702   0.132835  -0.039779
-    1SOL     H5    5   0.085505   0.044441  -0.073214
-    1SOL     H6    6   0.149915   0.119708   0.041265
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041927  -0.161708  -0.056766
-    0SOL     H2    2   0.060665  -0.080130  -0.103201
-    0SOL     H3    3   0.031606  -0.135434   0.034698
-    1SOL     O4    4  -0.044685   0.149112   0.054135
-    1SOL     H5    5  -0.086851   0.227915   0.019866
-    1SOL     H6    6   0.038501   0.180060   0.089979
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134516   0.001302  -0.097000
-    0SOL     H2    2  -0.181188  -0.040810  -0.169185
-    0SOL     H3    3  -0.116446   0.089858  -0.128523
-    1SOL     O4    4   0.139566   0.001667   0.103131
-    1SOL     H5    5   0.137953  -0.064099   0.033600
-    1SOL     H6    6   0.080841  -0.032987   0.170308
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.087075   0.141378  -0.067317
-    0SOL     H2    2  -0.004236   0.102782  -0.038848
-    0SOL     H3    3  -0.154011   0.092695  -0.019235
-    1SOL     O4    4   0.087825  -0.130582   0.062247
-    1SOL     H5    5   0.000627  -0.161992   0.086169
-    1SOL     H6    6   0.140648  -0.210026   0.054453
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077703   0.143676   0.060937
-    0SOL     H2    2  -0.082530   0.177557   0.150330
-    0SOL     H3    3   0.009611   0.104963   0.054627
-    1SOL     O4    4   0.075646  -0.146551  -0.070444
-    1SOL     H5    5   0.117553  -0.091324  -0.004443
-    1SOL     H6    6  -0.017550  -0.143214  -0.048866
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018354  -0.107414  -0.139616
-    0SOL     H2    2  -0.088490  -0.172458  -0.143163
-    0SOL     H3    3  -0.050974  -0.040185  -0.079795
-    1SOL     O4    4   0.019670   0.104765   0.132399
-    1SOL     H5    5   0.114900   0.097536   0.138817
-    1SOL     H6    6  -0.005433   0.158531   0.207508
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.096248   0.152150  -0.023855
-    0SOL     H2    2   0.165498   0.122626  -0.082975
-    0SOL     H3    3   0.019049   0.160855  -0.079773
-    1SOL     O4    4  -0.102620  -0.150657   0.028153
-    1SOL     H5    5  -0.064455  -0.184346   0.109214
-    1SOL     H6    6  -0.027494  -0.121091  -0.023269
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.159169   0.020000   0.082446
-    0SOL     H2    2   0.080229  -0.015681   0.123160
-    0SOL     H3    3   0.230222  -0.034814   0.115750
-    1SOL     O4    4  -0.151986  -0.017466  -0.084254
-    1SOL     H5    5  -0.207170   0.048311  -0.041942
-    1SOL     H6    6  -0.202495  -0.045721  -0.160496
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.171431   0.041218  -0.061867
-    0SOL     H2    2  -0.134599   0.123335  -0.094462
-    0SOL     H3    3  -0.095451  -0.009464  -0.033217
-    1SOL     O4    4   0.169706  -0.039279   0.060193
-    1SOL     H5    5   0.120926  -0.032872   0.142301
-    1SOL     H6    6   0.134794  -0.117560   0.017584
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098477  -0.150724  -0.057955
-    0SOL     H2    2  -0.044387  -0.221738  -0.092502
-    0SOL     H3    3  -0.120824  -0.098062  -0.134699
-    1SOL     O4    4   0.099076   0.147809   0.060461
-    1SOL     H5    5   0.124745   0.172614   0.149276
-    1SOL     H6    6   0.023540   0.203266   0.040939
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.145821  -0.107045  -0.037101
-    0SOL     H2    2  -0.170443  -0.187219  -0.083234
-    0SOL     H3    3  -0.214743  -0.094792   0.028183
-    1SOL     O4    4   0.150251   0.104159   0.037063
-    1SOL     H5    5   0.197755   0.165570   0.093049
-    1SOL     H6    6   0.121068   0.157030  -0.037201
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.169956   0.072057  -0.056906
-    0SOL     H2    2   0.225892   0.120686  -0.117476
-    0SOL     H3    3   0.111452   0.021658  -0.113471
-    1SOL     O4    4  -0.168745  -0.066166   0.059479
-    1SOL     H5    5  -0.132919  -0.151502   0.035054
-    1SOL     H6    6  -0.224535  -0.084318   0.135112
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063039  -0.175228  -0.059280
-    0SOL     H2    2   0.032634  -0.201590   0.027571
-    0SOL     H3    3  -0.005836  -0.204794  -0.118815
-    1SOL     O4    4  -0.051785   0.177926   0.056999
-    1SOL     H5    5  -0.106887   0.244259   0.098543
-    1SOL     H6    6  -0.113076   0.109994   0.028877
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097445   0.140103   0.118503
-    0SOL     H2    2  -0.049983   0.193892   0.055128
-    0SOL     H3    3  -0.112882   0.057345   0.072949
-    1SOL     O4    4   0.088890  -0.135892  -0.112564
-    1SOL     H5    5   0.133049  -0.197828  -0.170669
-    1SOL     H6    6   0.154936  -0.113091  -0.047139
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021899  -0.142724  -0.147682
-    0SOL     H2    2  -0.034755  -0.133523  -0.053277
-    0SOL     H3    3   0.073105  -0.141017  -0.159244
-    1SOL     O4    4   0.015071   0.141092   0.137453
-    1SOL     H5    5   0.003358   0.090393   0.217795
-    1SOL     H6    6   0.073596   0.212574   0.162502
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119850  -0.154445   0.064430
-    0SOL     H2    2   0.087416  -0.066846   0.043532
-    0SOL     H3    3   0.182540  -0.140524   0.135412
-    1SOL     O4    4  -0.122555   0.141726  -0.064695
-    1SOL     H5    5  -0.178942   0.218368  -0.054260
-    1SOL     H6    6  -0.049226   0.172924  -0.117722
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000777  -0.170708   0.113045
-    0SOL     H2    2   0.004992  -0.113687   0.189710
-    0SOL     H3    3   0.010642  -0.259097   0.147963
-    1SOL     O4    4   0.002784   0.173246  -0.126420
-    1SOL     H5    5   0.045536   0.147537  -0.044728
-    1SOL     H6    6  -0.089138   0.185348  -0.102626
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.188306  -0.066375   0.078969
-    0SOL     H2    2  -0.227349  -0.153228   0.069249
-    0SOL     H3    3  -0.204074  -0.023428  -0.005110
-    1SOL     O4    4   0.190047   0.074720  -0.076640
-    1SOL     H5    5   0.126685   0.009764  -0.046170
-    1SOL     H6    6   0.275267   0.037896  -0.053319
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-Generated by ForceBalance from calcs/cluster-02/VLE/460K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070382   0.208371  -0.025855
-    0SOL     H2    2   0.011211   0.185041  -0.097387
-    0SOL     H3    3   0.014705   0.253495   0.037598
-    1SOL     O4    4  -0.064294  -0.203517   0.023064
-    1SOL     H5    5  -0.029237  -0.226842   0.109025
-    1SOL     H6    6  -0.099035  -0.285627  -0.011771
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058218   0.211536  -0.072308
-    0SOL     H2    2   0.100339   0.137766  -0.116422
-    0SOL     H3    3   0.062777   0.189625   0.020759
-    1SOL     O4    4  -0.056330  -0.204401   0.073724
-    1SOL     H5    5  -0.132009  -0.149331   0.053666
-    1SOL     H6    6  -0.066338  -0.280634   0.016710
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.141727  -0.175781  -0.005273
-    0SOL     H2    2  -0.157828  -0.244167  -0.070284
-    0SOL     H3    3  -0.096736  -0.220768   0.066241
-    1SOL     O4    4   0.142071   0.182377  -0.000952
-    1SOL     H5    5   0.080896   0.245045   0.037682
-    1SOL     H6    6   0.164935   0.123633   0.071081
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075493  -0.178735   0.121564
-    0SOL     H2    2   0.024512  -0.231144   0.059785
-    0SOL     H3    3   0.153073  -0.231779   0.139727
-    1SOL     O4    4  -0.080806   0.180392  -0.121878
-    1SOL     H5    5  -0.087544   0.213239  -0.032223
-    1SOL     H6    6  -0.011081   0.232706  -0.161427
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126443  -0.115971   0.166890
-    0SOL     H2    2  -0.183938  -0.192014   0.175501
-    0SOL     H3    3  -0.153966  -0.074194   0.085284
-    1SOL     O4    4   0.127554   0.122628  -0.160359
-    1SOL     H5    5   0.137361   0.092241  -0.250596
-    1SOL     H6    6   0.189022   0.069082  -0.110190
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063324  -0.202043   0.114794
-    0SOL     H2    2  -0.037982  -0.292720   0.132046
-    0SOL     H3    3  -0.044890  -0.155983   0.196654
-    1SOL     O4    4   0.059594   0.197935  -0.121923
-    1SOL     H5    5   0.144371   0.238136  -0.102976
-    1SOL     H6    6  -0.003057   0.270048  -0.115841
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030917  -0.246601   0.016920
-    0SOL     H2    2  -0.013580  -0.152977   0.007110
-    0SOL     H3    3   0.016547  -0.287507  -0.055442
-    1SOL     O4    4   0.022418   0.247344  -0.010357
-    1SOL     H5    5   0.067326   0.252117  -0.094754
-    1SOL     H6    6   0.068158   0.178057   0.037281
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046067  -0.081300  -0.244865
-    0SOL     H2    2  -0.131452  -0.041896  -0.262727
-    0SOL     H3    3  -0.066421  -0.169147  -0.212754
-    1SOL     O4    4   0.052367   0.077673   0.246684
-    1SOL     H5    5   0.048345   0.099045   0.153467
-    1SOL     H6    6   0.036830   0.161024   0.291107
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123844  -0.034581  -0.233660
-    0SOL     H2    2   0.205542   0.015103  -0.238049
-    0SOL     H3    3   0.121303  -0.068741  -0.144279
-    1SOL     O4    4  -0.128219   0.034085   0.222669
-    1SOL     H5    5  -0.179370   0.087334   0.283582
-    1SOL     H6    6  -0.080876  -0.027526   0.278571
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.023276  -0.151846  -0.261889
-    0SOL     H2    2  -0.012273  -0.110980  -0.176032
-    0SOL     H3    3  -0.088000  -0.097139  -0.306389
-    1SOL     O4    4   0.022081   0.149769   0.262540
-    1SOL     H5    5  -0.000274   0.081538   0.199238
-    1SOL     H6    6   0.117783   0.151465   0.263205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084541  -0.205526  -0.204644
-    0SOL     H2    2   0.042857  -0.221431  -0.289330
-    0SOL     H3    3   0.135677  -0.284674  -0.187824
-    1SOL     O4    4  -0.087836   0.217017   0.210472
-    1SOL     H5    5  -0.135835   0.139657   0.180910
-    1SOL     H6    6   0.004249   0.191269   0.206040
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.167132   0.140823  -0.210915
-    0SOL     H2    2  -0.193416   0.178272  -0.294992
-    0SOL     H3    3  -0.241702   0.087073  -0.184222
-    1SOL     O4    4   0.177976  -0.137593   0.211644
-    1SOL     H5    5   0.094105  -0.094204   0.227306
-    1SOL     H6    6   0.167679  -0.224465   0.250496
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.204342  -0.012409   0.225003
-    0SOL     H2    2  -0.296577  -0.037239   0.231211
-    0SOL     H3    3  -0.163709  -0.051495   0.302357
-    1SOL     O4    4   0.209398   0.022155  -0.229068
-    1SOL     H5    5   0.238247  -0.045577  -0.290243
-    1SOL     H6    6   0.137131  -0.018162  -0.180960
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011947  -0.080431  -0.303431
-    0SOL     H2    2   0.038151  -0.015170  -0.254507
-    0SOL     H3    3   0.045055  -0.104683  -0.376403
-    1SOL     O4    4   0.003595   0.076083   0.299686
-    1SOL     H5    5   0.043265   0.020802   0.367010
-    1SOL     H6    6   0.021709   0.165585   0.328383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043372  -0.212272  -0.320780
-    0SOL     H2    2  -0.023363  -0.247365  -0.234002
-    0SOL     H3    3  -0.129061  -0.170815  -0.310728
-    1SOL     O4    4   0.052301   0.208730   0.312138
-    1SOL     H5    5  -0.027891   0.167404   0.344134
-    1SOL     H6    6   0.041723   0.301422   0.333551
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006792  -0.178777  -0.366120
-    0SOL     H2    2  -0.086821  -0.165669  -0.381191
-    0SOL     H3    3   0.016982  -0.172100  -0.271179
-    1SOL     O4    4  -0.007890   0.178511   0.364819
-    1SOL     H5    5   0.014294   0.192668   0.272788
-    1SOL     H6    6   0.073695   0.148405   0.404815
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135688  -0.298676   0.314257
-    0SOL     H2    2   0.199417  -0.367513   0.295217
-    0SOL     H3    3   0.094936  -0.325786   0.396516
-    1SOL     O4    4  -0.135711   0.297053  -0.319095
-    1SOL     H5    5  -0.176814   0.339521  -0.243800
-    1SOL     H6    6  -0.112051   0.369201  -0.377380
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.318234   0.206484   0.261027
-    0SOL     H2    2  -0.359417   0.145167   0.321909
-    0SOL     H3    3  -0.236269   0.231331   0.303765
-    1SOL     O4    4   0.321980  -0.202268  -0.267386
-    1SOL     H5    5   0.295061  -0.294107  -0.265579
-    1SOL     H6    6   0.239807  -0.153179  -0.267848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097995  -0.462353   0.067604
-    0SOL     H2    2  -0.056189  -0.516868   0.000951
-    0SOL     H3    3  -0.039108  -0.387589   0.077853
-    1SOL     O4    4   0.098927   0.461172  -0.065125
-    1SOL     H5    5   0.046259   0.454401   0.014515
-    1SOL     H6    6   0.034876   0.472313  -0.135380
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.205877  -0.150855  -0.405891
-    0SOL     H2    2  -0.249415  -0.126996  -0.324053
-    0SOL     H3    3  -0.196058  -0.068042  -0.452880
-    1SOL     O4    4   0.209256   0.141384   0.399030
-    1SOL     H5    5   0.148166   0.117414   0.468713
-    1SOL     H6    6   0.243709   0.226645   0.425598
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.284000   0.039170  -0.411637
-    0SOL     H2    2  -0.375583   0.015332  -0.397267
-    0SOL     H3    3  -0.240965  -0.043331  -0.434087
-    1SOL     O4    4   0.284497  -0.036374   0.405804
-    1SOL     H5    5   0.354109   0.028395   0.416826
-    1SOL     H6    6   0.246588  -0.045965   0.493172
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.355831  -0.359802  -0.134649
-    0SOL     H2    2   0.390034  -0.437811  -0.090978
-    0SOL     H3    3   0.420804  -0.339549  -0.201959
-    1SOL     O4    4  -0.363964   0.362540   0.142209
-    1SOL     H5    5  -0.328292   0.294596   0.084995
-    1SOL     H6    6  -0.358891   0.442768   0.090248
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.488503   0.175631  -0.136002
-    0SOL     H2    2   0.502917   0.134816  -0.221376
-    0SOL     H3    3   0.458552   0.104063  -0.079937
-    1SOL     O4    4  -0.493082  -0.166958   0.140870
-    1SOL     H5    5  -0.488777  -0.213316   0.057236
-    1SOL     H6    6  -0.402844  -0.166620   0.172795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104689  -0.566065   0.246413
-    0SOL     H2    2   0.088836  -0.645043   0.298118
-    0SOL     H3    3   0.197522  -0.570595   0.223529
-    1SOL     O4    4  -0.108021   0.576922  -0.251194
-    1SOL     H5    5  -0.140008   0.495954  -0.290986
-    1SOL     H6    6  -0.099528   0.556201  -0.158131
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.577387  -0.148493  -0.415783
-    0SOL     H2    2   0.564937  -0.054064  -0.406266
-    0SOL     H3    3   0.553901  -0.184534  -0.330274
-    1SOL     O4    4  -0.572901   0.140192   0.413522
-    1SOL     H5    5  -0.627787   0.152983   0.336151
-    1SOL     H6    6  -0.567385   0.226925   0.453638
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.709166  -0.258583   0.011426
-    0SOL     H2    2  -0.682249  -0.237898  -0.078072
-    0SOL     H3    3  -0.802755  -0.277464   0.004582
-    1SOL     O4    4   0.719082   0.257989  -0.003373
-    1SOL     H5    5   0.637931   0.222816   0.033229
-    1SOL     H6    6   0.692090   0.301308  -0.084350
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.458610  -0.650408  -0.055430
-    0SOL     H2    2   0.481395  -0.641671  -0.147987
-    0SOL     H3    3   0.428299  -0.740772  -0.046603
-    1SOL     O4    4  -0.463704   0.652632   0.058268
-    1SOL     H5    5  -0.386634   0.678597   0.007787
-    1SOL     H6    6  -0.442359   0.676289   0.148529
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.173876  -0.637619  -0.638473
-    0SOL     H2    2   0.159309  -0.623824  -0.732067
-    0SOL     H3    3   0.245689  -0.700776  -0.634416
-    1SOL     O4    4  -0.182552   0.642109   0.640994
-    1SOL     H5    5  -0.115104   0.696851   0.681200
-    1SOL     H6    6  -0.147196   0.553272   0.645503
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076059  -0.109476   0.014923
-    0SOL     H2    2   0.027703  -0.027081   0.020850
-    0SOL     H3    3   0.010026  -0.177173   0.029723
-    1SOL     O4    4  -0.064720   0.104886  -0.013055
-    1SOL     H5    5  -0.072692   0.200160  -0.017698
-    1SOL     H6    6  -0.141670   0.072069  -0.059574
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014953  -0.107990  -0.071558
-    0SOL     H2    2   0.052878  -0.164892  -0.035179
-    0SOL     H3    3   0.031348  -0.052623  -0.134432
-    1SOL     O4    4   0.002716   0.112043   0.075484
-    1SOL     H5    5  -0.000746   0.020804   0.046749
-    1SOL     H6    6   0.095278   0.135642   0.069346
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118746   0.022108   0.031886
-    0SOL     H2    2  -0.196941  -0.019880   0.067732
-    0SOL     H3    3  -0.128921   0.114673   0.054034
-    1SOL     O4    4   0.127609  -0.023200  -0.039215
-    1SOL     H5    5   0.042543   0.014295  -0.016407
-    1SOL     H6    6   0.135886  -0.100041   0.017258
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055751  -0.071807   0.086935
-    0SOL     H2    2  -0.127397  -0.082486   0.149506
-    0SOL     H3    3  -0.027600  -0.161142   0.067209
-    1SOL     O4    4   0.057890   0.079412  -0.096709
-    1SOL     H5    5   0.004491   0.021898  -0.041909
-    1SOL     H6    6   0.122295   0.116834  -0.036594
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003535  -0.120276  -0.058765
-    0SOL     H2    2  -0.062184  -0.152184  -0.127354
-    0SOL     H3    3   0.064048  -0.071445  -0.105780
-    1SOL     O4    4   0.005409   0.125101   0.062096
-    1SOL     H5    5  -0.021564   0.115271   0.153409
-    1SOL     H6    6  -0.006342   0.038037   0.024095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005124  -0.124420  -0.061889
-    0SOL     H2    2   0.065301  -0.144707  -0.123461
-    0SOL     H3    3  -0.004688  -0.028911  -0.055551
-    1SOL     O4    4   0.003260   0.116894   0.059638
-    1SOL     H5    5  -0.066915   0.181038   0.070737
-    1SOL     H6    6   0.034920   0.100351   0.148443
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000106   0.091713  -0.091047
-    0SOL     H2    2   0.072878   0.116333  -0.148147
-    0SOL     H3    3  -0.070306   0.152170  -0.114487
-    1SOL     O4    4  -0.002397  -0.096105   0.102027
-    1SOL     H5    5   0.034765  -0.032461   0.040947
-    1SOL     H6    6  -0.001452  -0.178878   0.053964
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103112   0.066710   0.061306
-    0SOL     H2    2  -0.035703   0.133998   0.051789
-    0SOL     H3    3  -0.089745   0.031635   0.149360
-    1SOL     O4    4   0.100523  -0.069265  -0.072161
-    1SOL     H5    5   0.016101  -0.031423  -0.047600
-    1SOL     H6    6   0.141100  -0.093473   0.011084
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125757   0.025573   0.031211
-    0SOL     H2    2   0.203440  -0.016417   0.068149
-    0SOL     H3    3   0.159711   0.081968  -0.038280
-    1SOL     O4    4  -0.138648  -0.024644  -0.025246
-    1SOL     H5    5  -0.046116  -0.018625  -0.001496
-    1SOL     H6    6  -0.138491  -0.063454  -0.112745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053841  -0.111040  -0.051886
-    0SOL     H2    2   0.050574  -0.178083   0.016356
-    0SOL     H3    3   0.024770  -0.156078  -0.131187
-    1SOL     O4    4  -0.048944   0.123123   0.053802
-    1SOL     H5    5  -0.135051   0.093340   0.083146
-    1SOL     H6    6  -0.014880   0.050419   0.001686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027218   0.015076  -0.137800
-    0SOL     H2    2   0.113988   0.045678  -0.164199
-    0SOL     H3    3   0.038548  -0.014072  -0.047332
-    1SOL     O4    4  -0.026440  -0.016405   0.131390
-    1SOL     H5    5  -0.084714  -0.080683   0.171821
-    1SOL     H6    6  -0.068094   0.068012   0.148745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025836  -0.086879  -0.104006
-    0SOL     H2    2  -0.038411  -0.033625  -0.182543
-    0SOL     H3    3   0.065962  -0.113748  -0.107673
-    1SOL     O4    4   0.025604   0.085647   0.114210
-    1SOL     H5    5   0.012216   0.015545   0.050423
-    1SOL     H6    6  -0.038246   0.152700   0.089934
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016806   0.126365  -0.073347
-    0SOL     H2    2  -0.021013   0.088470   0.006000
-    0SOL     H3    3   0.065724   0.054455  -0.113326
-    1SOL     O4    4  -0.018404  -0.117440   0.064966
-    1SOL     H5    5   0.045990  -0.184348   0.088182
-    1SOL     H6    6  -0.061652  -0.096045   0.147636
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.023098  -0.027864  -0.131170
-    0SOL     H2    2  -0.101575   0.018103  -0.161015
-    0SOL     H3    3   0.045785   0.000841  -0.191115
-    1SOL     O4    4   0.029571   0.022241   0.139302
-    1SOL     H5    5   0.006146  -0.006039   0.050906
-    1SOL     H6    6  -0.047787   0.068968   0.170840
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008319  -0.007158   0.135845
-    0SOL     H2    2   0.031026  -0.100051   0.140043
-    0SOL     H3    3   0.044062   0.029954   0.216514
-    1SOL     O4    4  -0.013804   0.016507  -0.142890
-    1SOL     H5    5   0.000392  -0.010169  -0.052065
-    1SOL     H6    6   0.007221  -0.061415  -0.194354
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037675  -0.022550  -0.139979
-    0SOL     H2    2  -0.004842  -0.005222  -0.051751
-    0SOL     H3    3  -0.132947  -0.020511  -0.130961
-    1SOL     O4    4   0.039008   0.022044   0.128706
-    1SOL     H5    5   0.066242  -0.058142   0.173325
-    1SOL     H6    6   0.058241   0.091980   0.191167
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102922  -0.103885   0.021100
-    0SOL     H2    2  -0.067087  -0.015142   0.022800
-    0SOL     H3    3  -0.159862  -0.105304  -0.055830
-    1SOL     O4    4   0.101358   0.098858  -0.022929
-    1SOL     H5    5   0.099919   0.170941   0.040034
-    1SOL     H6    6   0.150429   0.029483   0.021133
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045941   0.081846   0.103074
-    0SOL     H2    2  -0.068234   0.174049   0.115875
-    0SOL     H3    3  -0.068190   0.040006   0.186241
-    1SOL     O4    4   0.046933  -0.089602  -0.112651
-    1SOL     H5    5   0.132075  -0.061117  -0.079461
-    1SOL     H6    6  -0.016131  -0.031824  -0.069674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009185  -0.021318   0.140907
-    0SOL     H2    2   0.104549  -0.026495   0.134476
-    0SOL     H3    3  -0.006831   0.025840   0.222649
-    1SOL     O4    4  -0.017590   0.024329  -0.146985
-    1SOL     H5    5   0.016368  -0.047957  -0.199747
-    1SOL     H6    6   0.015844   0.007508  -0.058885
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018721  -0.087234  -0.112257
-    0SOL     H2    2  -0.035516  -0.135920  -0.174308
-    0SOL     H3    3   0.043356  -0.007577  -0.159270
-    1SOL     O4    4  -0.015459   0.092721   0.120931
-    1SOL     H5    5  -0.018708   0.060255   0.030944
-    1SOL     H6    6  -0.034773   0.016013   0.174831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072140  -0.118414   0.034411
-    0SOL     H2    2  -0.031815  -0.176334  -0.030252
-    0SOL     H3    3  -0.150229  -0.165543   0.063452
-    1SOL     O4    4   0.078802   0.121025  -0.035600
-    1SOL     H5    5   0.046475   0.210964  -0.040912
-    1SOL     H6    6   0.020361   0.078172   0.026935
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035577  -0.036145  -0.139953
-    0SOL     H2    2  -0.120931  -0.042319  -0.182835
-    0SOL     H3    3  -0.055579  -0.037631  -0.046358
-    1SOL     O4    4   0.044726   0.034811   0.130807
-    1SOL     H5    5   0.031464  -0.015355   0.211242
-    1SOL     H6    6   0.003701   0.119505   0.148307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139817  -0.057398   0.018042
-    0SOL     H2    2  -0.184816   0.019956   0.052009
-    0SOL     H3    3  -0.057757  -0.023607  -0.017828
-    1SOL     O4    4   0.141812   0.050200  -0.023855
-    1SOL     H5    5   0.100400  -0.006521   0.041184
-    1SOL     H6    6   0.123184   0.139061   0.006459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028697   0.045460  -0.144495
-    0SOL     H2    2  -0.020518  -0.023265  -0.078372
-    0SOL     H3    3   0.025954   0.116897  -0.111747
-    1SOL     O4    4   0.022527  -0.040394   0.138472
-    1SOL     H5    5  -0.012356  -0.127287   0.158346
-    1SOL     H6    6   0.117497  -0.052314   0.137459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001166   0.127378   0.061995
-    0SOL     H2    2   0.020835   0.171403   0.144682
-    0SOL     H3    3  -0.025575   0.197883   0.003035
-    1SOL     O4    4   0.002365  -0.141344  -0.062691
-    1SOL     H5    5   0.028098  -0.057048  -0.025350
-    1SOL     H6    6  -0.074307  -0.121393  -0.116410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011486   0.003237   0.153442
-    0SOL     H2    2  -0.016504   0.006852   0.057923
-    0SOL     H3    3   0.060576  -0.057146   0.171421
-    1SOL     O4    4   0.005794  -0.000475  -0.142955
-    1SOL     H5    5   0.061067   0.066118  -0.183852
-    1SOL     H6    6  -0.019208  -0.058418  -0.214926
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071410   0.122565   0.057910
-    0SOL     H2    2  -0.006187   0.181094   0.096415
-    0SOL     H3    3  -0.020118   0.051602   0.019235
-    1SOL     O4    4   0.061932  -0.116413  -0.060583
-    1SOL     H5    5   0.107117  -0.125108   0.023353
-    1SOL     H6    6   0.069316  -0.202920  -0.100887
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110199   0.093422  -0.010735
-    0SOL     H2    2  -0.173735   0.136802   0.046218
-    0SOL     H3    3  -0.115254   0.141516  -0.093341
-    1SOL     O4    4   0.119604  -0.099562   0.008757
-    1SOL     H5    5   0.076723  -0.014138   0.013877
-    1SOL     H6    6   0.062167  -0.158234   0.057961
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059728  -0.089917  -0.109990
-    0SOL     H2    2  -0.018880  -0.011068  -0.074261
-    0SOL     H3    3   0.008114  -0.129361  -0.164799
-    1SOL     O4    4   0.050103   0.083961   0.106643
-    1SOL     H5    5   0.103971   0.057630   0.181256
-    1SOL     H6    6   0.048116   0.179560   0.111027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111566  -0.093159   0.023642
-    0SOL     H2    2  -0.109008  -0.151156   0.099747
-    0SOL     H3    3  -0.155915  -0.144306  -0.044029
-    1SOL     O4    4   0.116738   0.102926  -0.028465
-    1SOL     H5    5   0.035279   0.053842  -0.039302
-    1SOL     H6    6   0.147520   0.079321   0.059042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030498  -0.005469  -0.155021
-    0SOL     H2    2  -0.077658   0.071430  -0.123009
-    0SOL     H3    3  -0.043008  -0.071420  -0.086784
-    1SOL     O4    4   0.027310   0.003616   0.147108
-    1SOL     H5    5   0.093244   0.072408   0.138015
-    1SOL     H6    6   0.059273  -0.050910   0.218994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032613   0.126905  -0.090052
-    0SOL     H2    2  -0.018189   0.047210  -0.074879
-    0SOL     H3    3   0.039983   0.167477  -0.003670
-    1SOL     O4    4  -0.030220  -0.120244   0.079102
-    1SOL     H5    5   0.013664  -0.205245   0.082469
-    1SOL     H6    6  -0.073738  -0.112323   0.163988
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008756   0.131673  -0.069047
-    0SOL     H2    2  -0.040503   0.115336  -0.149476
-    0SOL     H3    3   0.013040   0.227072  -0.062487
-    1SOL     O4    4  -0.001790  -0.139823   0.076518
-    1SOL     H5    5  -0.095896  -0.155041   0.067880
-    1SOL     H6    6   0.014511  -0.060610   0.025313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072780   0.135514  -0.048471
-    0SOL     H2    2  -0.087588   0.058646   0.006614
-    0SOL     H3    3   0.006322   0.114570  -0.098135
-    1SOL     O4    4   0.065326  -0.131618   0.053830
-    1SOL     H5    5   0.072735  -0.183999  -0.025943
-    1SOL     H6    6   0.117585  -0.053402   0.036121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.148026   0.059180   0.015220
-    0SOL     H2    2  -0.052927   0.065946   0.006695
-    0SOL     H3    3  -0.174675   0.002759  -0.057367
-    1SOL     O4    4   0.145083  -0.050450  -0.008478
-    1SOL     H5    5   0.194068  -0.090640  -0.080224
-    1SOL     H6    6   0.084796  -0.118840   0.020689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011949  -0.014670  -0.149662
-    0SOL     H2    2   0.008115  -0.090781  -0.207582
-    0SOL     H3    3   0.079782   0.041090  -0.187763
-    1SOL     O4    4  -0.014269   0.020971   0.159167
-    1SOL     H5    5  -0.008713   0.021579   0.063610
-    1SOL     H6    6  -0.035824  -0.069608   0.181377
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128233  -0.063750   0.082080
-    0SOL     H2    2   0.111699   0.029294   0.066858
-    0SOL     H3    3   0.067222  -0.108831   0.023705
-    1SOL     O4    4  -0.126151   0.059342  -0.084224
-    1SOL     H5    5  -0.085769  -0.003435  -0.024301
-    1SOL     H6    6  -0.125313   0.142205  -0.036315
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014513  -0.126599  -0.093770
-    0SOL     H2    2   0.003878  -0.203345  -0.149978
-    0SOL     H3    3   0.017539  -0.162140  -0.004945
-    1SOL     O4    4  -0.010982   0.135298   0.086004
-    1SOL     H5    5  -0.083751   0.073600   0.093769
-    1SOL     H6    6   0.009416   0.159830   0.176250
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014968   0.042817  -0.167675
-    0SOL     H2    2  -0.012698  -0.045264  -0.192947
-    0SOL     H3    3   0.016786   0.040872  -0.071992
-    1SOL     O4    4  -0.016239  -0.032958   0.159902
-    1SOL     H5    5  -0.038419  -0.125446   0.170687
-    1SOL     H6    6   0.059008  -0.019449   0.217502
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064945   0.126717  -0.102869
-    0SOL     H2    2  -0.022894   0.145839  -0.019033
-    0SOL     H3    3  -0.003485   0.068759  -0.147878
-    1SOL     O4    4   0.055241  -0.124872   0.106241
-    1SOL     H5    5   0.087225  -0.202406   0.060112
-    1SOL     H6    6   0.095978  -0.051269   0.060573
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099269  -0.070607   0.125178
-    0SOL     H2    2  -0.053335  -0.024815   0.195572
-    0SOL     H3    3  -0.149673  -0.002278   0.080986
-    1SOL     O4    4   0.105179   0.060957  -0.129326
-    1SOL     H5    5   0.084500   0.154098  -0.121617
-    1SOL     H6    6   0.030008   0.016374  -0.090287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135154  -0.105779  -0.009364
-    0SOL     H2    2  -0.196793  -0.062228  -0.068239
-    0SOL     H3    3  -0.091999  -0.171406  -0.064073
-    1SOL     O4    4   0.134820   0.113081   0.013217
-    1SOL     H5    5   0.219351   0.084317   0.047705
-    1SOL     H6    6   0.075555   0.040037   0.030950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030375   0.038992  -0.174457
-    0SOL     H2    2  -0.054056   0.001268  -0.149746
-    0SOL     H3    3   0.095012  -0.024326  -0.143228
-    1SOL     O4    4  -0.029917  -0.038761   0.172780
-    1SOL     H5    5   0.021478   0.029297   0.216242
-    1SOL     H6    6  -0.068063   0.004922   0.096630
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/43/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2  -0.036354   0.152430   0.013635
-    0SOL     H3    3   0.094439   0.086484   0.051890
-    1SOL     O4    4  -0.036503  -0.158373  -0.056713
-    1SOL     H5    5  -0.086528  -0.215715   0.001354
-    1SOL     H6    6  -0.088721  -0.153868  -0.136810
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-    6
-    0SOL     O1    1  -0.007035  -0.003374  -0.177465
-    0SOL     H2    2   0.054331  -0.058089  -0.226486
-    0SOL     H3    3  -0.092875  -0.041898  -0.195063
-    1SOL     O4    4   0.014362   0.011020   0.185381
-    1SOL     H5    5   0.006046  -0.071132   0.136964
-    1SOL     H6    6  -0.067394   0.057605   0.167826
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.024942  -0.140728  -0.119307
-    0SOL     H2    2   0.041605  -0.110586  -0.181156
-    0SOL     H3    3   0.002869  -0.105158  -0.034906
-    1SOL     O4    4   0.020382   0.144466   0.116437
-    1SOL     H5    5   0.089938   0.079422   0.106767
-    1SOL     H6    6  -0.054493   0.094807   0.149451
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.161913   0.066285   0.051302
-    0SOL     H2    2  -0.098538   0.134605   0.073173
-    0SOL     H3    3  -0.203563   0.097067  -0.029197
-    1SOL     O4    4   0.165858  -0.073884  -0.045081
-    1SOL     H5    5   0.086716  -0.039094  -0.003988
-    1SOL     H6    6   0.147448  -0.070898  -0.138967
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.176947   0.007375   0.021692
-    0SOL     H2    2   0.153978   0.055446   0.101215
-    0SOL     H3    3   0.269176  -0.015482   0.033261
-    1SOL     O4    4  -0.179348  -0.016131  -0.025975
-    1SOL     H5    5  -0.253409   0.037047   0.003169
-    1SOL     H6    6  -0.121375   0.045749  -0.070387
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.141545   0.050041  -0.107868
-    0SOL     H2    2  -0.236665   0.044984  -0.098431
-    0SOL     H3    3  -0.107333   0.006731  -0.029663
-    1SOL     O4    4   0.140453  -0.052607   0.104087
-    1SOL     H5    5   0.174583  -0.014406   0.023228
-    1SOL     H6    6   0.183299  -0.003150   0.173948
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.142493  -0.115849  -0.022730
-    0SOL     H2    2  -0.106587  -0.085633  -0.106157
-    0SOL     H3    3  -0.169584  -0.206103  -0.039543
-    1SOL     O4    4   0.141540   0.118580   0.021203
-    1SOL     H5    5   0.152712   0.046642   0.083350
-    1SOL     H6    6   0.135627   0.196882   0.075940
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031989  -0.046130   0.180221
-    0SOL     H2    2   0.118890  -0.068889   0.213275
-    0SOL     H3    3   0.024543   0.048118   0.195195
-    1SOL     O4    4  -0.031294   0.037329  -0.181442
-    1SOL     H5    5  -0.030232   0.131102  -0.162261
-    1SOL     H6    6  -0.115676   0.022521  -0.224137
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095976  -0.106661   0.128261
-    0SOL     H2    2   0.076534  -0.024431   0.173234
-    0SOL     H3    3   0.025746  -0.165893   0.155124
-    1SOL     O4    4  -0.093507   0.105094  -0.126714
-    1SOL     H5    5  -0.013669   0.062809  -0.158340
-    1SOL     H6    6  -0.128671   0.150362  -0.203373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.178754   0.029276  -0.073750
-    0SOL     H2    2  -0.165980  -0.021067  -0.154153
-    0SOL     H3    3  -0.118972   0.103554  -0.082189
-    1SOL     O4    4   0.167846  -0.030765   0.076123
-    1SOL     H5    5   0.196557  -0.000872   0.162404
-    1SOL     H6    6   0.248195  -0.059376   0.032674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122317  -0.161528   0.004071
-    0SOL     H2    2   0.162844  -0.112585  -0.067515
-    0SOL     H3    3   0.043691  -0.111477   0.025868
-    1SOL     O4    4  -0.114998   0.150535  -0.001098
-    1SOL     H5    5  -0.116039   0.232394   0.048504
-    1SOL     H6    6  -0.197575   0.150756  -0.049507
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119821  -0.147378   0.055959
-    0SOL     H2    2   0.127089  -0.204938   0.132094
-    0SOL     H3    3   0.029850  -0.114845   0.058971
-    1SOL     O4    4  -0.116440   0.144152  -0.056896
-    1SOL     H5    5  -0.157607   0.168281  -0.139874
-    1SOL     H6    6  -0.050099   0.211636  -0.042502
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040088  -0.131680   0.140263
-    0SOL     H2    2   0.037099  -0.223719   0.166383
-    0SOL     H3    3   0.096560  -0.130487   0.062985
-    1SOL     O4    4  -0.037581   0.138612  -0.139206
-    1SOL     H5    5  -0.121032   0.145114  -0.185639
-    1SOL     H6    6  -0.058627   0.091677  -0.058481
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.150412   0.110330  -0.067645
-    0SOL     H2    2   0.163671   0.018986  -0.042293
-    0SOL     H3    3   0.227013   0.131827  -0.120866
-    1SOL     O4    4  -0.157700  -0.111876   0.073073
-    1SOL     H5    5  -0.105161  -0.117071  -0.006771
-    1SOL     H6    6  -0.170627  -0.018096   0.087235
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.170350   0.106191  -0.009517
-    0SOL     H2    2  -0.255672   0.074941   0.020581
-    0SOL     H3    3  -0.166539   0.080550  -0.101660
-    1SOL     O4    4   0.176389  -0.101159   0.007783
-    1SOL     H5    5   0.108090  -0.061414   0.061801
-    1SOL     H6    6   0.209444  -0.173863   0.060544
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047303  -0.193737  -0.058437
-    0SOL     H2    2  -0.047615  -0.142844  -0.139506
-    0SOL     H3    3  -0.116069  -0.154086  -0.004945
-    1SOL     O4    4   0.047031   0.192039   0.056175
-    1SOL     H5    5   0.024014   0.144843   0.136206
-    1SOL     H6    6   0.141067   0.177411   0.045890
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136337  -0.114859   0.108738
-    0SOL     H2    2  -0.151583  -0.072583   0.024224
-    0SOL     H3    3  -0.131879  -0.042541   0.171289
-    1SOL     O4    4   0.141349   0.112159  -0.111158
-    1SOL     H5    5   0.115665   0.119574  -0.019246
-    1SOL     H6    6   0.091884   0.037042  -0.143913
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025632   0.043443  -0.203609
-    0SOL     H2    2  -0.069588   0.115097  -0.249390
-    0SOL     H3    3  -0.075777   0.032219  -0.122852
-    1SOL     O4    4   0.025802  -0.047157   0.198664
-    1SOL     H5    5   0.054177  -0.082032   0.283168
-    1SOL     H6    6   0.105515  -0.011564   0.159404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.202940  -0.043141  -0.066040
-    0SOL     H2    2   0.130445  -0.105644  -0.066505
-    0SOL     H3    3   0.281434  -0.097374  -0.073778
-    1SOL     O4    4  -0.197419   0.053332   0.067854
-    1SOL     H5    5  -0.217356  -0.039461   0.080268
-    1SOL     H6    6  -0.278252   0.090770   0.032829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.167286   0.139922   0.039368
-    0SOL     H2    2  -0.204259   0.226713   0.023164
-    0SOL     H3    3  -0.108654   0.152365   0.114000
-    1SOL     O4    4   0.161432  -0.148860  -0.043971
-    1SOL     H5    5   0.161724  -0.054121  -0.030305
-    1SOL     H6    6   0.252696  -0.175118  -0.031982
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024124  -0.188065   0.131302
-    0SOL     H2    2  -0.040807  -0.102765   0.091203
-    0SOL     H3    3  -0.017296  -0.169622   0.224980
-    1SOL     O4    4   0.025729   0.176671  -0.129809
-    1SOL     H5    5  -0.009997   0.264110  -0.114304
-    1SOL     H6    6   0.045102   0.174935  -0.223532
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055970  -0.199246   0.121588
-    0SOL     H2    2   0.022111  -0.235760   0.079967
-    0SOL     H3    3  -0.071706  -0.255996   0.197048
-    1SOL     O4    4   0.055971   0.200106  -0.119549
-    1SOL     H5    5   0.031471   0.290405  -0.099346
-    1SOL     H6    6   0.021359   0.184952  -0.207496
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052742  -0.208417   0.119755
-    0SOL     H2    2  -0.051409  -0.288910   0.171538
-    0SOL     H3    3  -0.136338  -0.211206   0.073211
-    1SOL     O4    4   0.053707   0.217227  -0.121434
-    1SOL     H5    5   0.065189   0.133951  -0.167213
-    1SOL     H6    6   0.114977   0.212902  -0.048020
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.182329  -0.107682   0.168591
-    0SOL     H2    2   0.102220  -0.150099   0.137839
-    0SOL     H3    3   0.158513  -0.015464   0.178130
-    1SOL     O4    4  -0.181624   0.102985  -0.171514
-    1SOL     H5    5  -0.177217   0.165747  -0.099376
-    1SOL     H6    6  -0.094071   0.064473  -0.175199
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.015368  -0.281069   0.085897
-    0SOL     H2    2  -0.037855  -0.212976   0.127043
-    0SOL     H3    3   0.095257  -0.235913   0.058677
-    1SOL     O4    4  -0.022699   0.276001  -0.084496
-    1SOL     H5    5   0.012649   0.327427  -0.157078
-    1SOL     H6    6   0.051583   0.224325  -0.053285
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.160178  -0.056955   0.255937
-    0SOL     H2    2  -0.099847  -0.063773   0.181937
-    0SOL     H3    3  -0.112337  -0.005928   0.321281
-    1SOL     O4    4   0.155747   0.051875  -0.250062
-    1SOL     H5    5   0.135036   0.007134  -0.332109
-    1SOL     H6    6   0.144600   0.144841  -0.269946
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022972   0.268536  -0.249798
-    0SOL     H2    2   0.021775   0.349415  -0.198616
-    0SOL     H3    3  -0.065773   0.261016  -0.284871
-    1SOL     O4    4  -0.014763  -0.277621   0.249296
-    1SOL     H5    5  -0.025809  -0.208040   0.314094
-    1SOL     H6    6  -0.067533  -0.249429   0.174577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127036  -0.341726  -0.105917
-    0SOL     H2    2   0.201404  -0.281582  -0.102110
-    0SOL     H3    3   0.079658  -0.316323  -0.185115
-    1SOL     O4    4  -0.126436   0.339604   0.104392
-    1SOL     H5    5  -0.181080   0.265438   0.130387
-    1SOL     H6    6  -0.101344   0.381028   0.186956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071991  -0.255710  -0.264687
-    0SOL     H2    2  -0.144432  -0.288255  -0.211251
-    0SOL     H3    3  -0.026501  -0.334635  -0.294077
-    1SOL     O4    4   0.071024   0.268101   0.261273
-    1SOL     H5    5   0.036074   0.179828   0.249080
-    1SOL     H6    6   0.154841   0.254821   0.305554
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.125886   0.391853  -0.040064
-    0SOL     H2    2  -0.147409   0.485105  -0.041846
-    0SOL     H3    3  -0.204373   0.349774  -0.004970
-    1SOL     O4    4   0.136936  -0.392723   0.039973
-    1SOL     H5    5   0.082596  -0.360544  -0.031957
-    1SOL     H6    6   0.082720  -0.458572   0.083410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.206773   0.356554   0.076878
-    0SOL     H2    2  -0.270280   0.426777   0.090949
-    0SOL     H3    3  -0.174861   0.335136   0.164544
-    1SOL     O4    4   0.202010  -0.358454  -0.082108
-    1SOL     H5    5   0.254833  -0.428291  -0.043445
-    1SOL     H6    6   0.263156  -0.310029  -0.137592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.354708   0.279405   0.127004
-    0SOL     H2    2  -0.311247   0.194734   0.116795
-    0SOL     H3    3  -0.363002   0.290864   0.221673
-    1SOL     O4    4   0.346104  -0.273570  -0.131041
-    1SOL     H5    5   0.423479  -0.217885  -0.139687
-    1SOL     H6    6   0.380275  -0.362900  -0.134887
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000496   0.474369   0.092622
-    0SOL     H2    2  -0.047468   0.396436   0.062917
-    0SOL     H3    3   0.091940   0.449998   0.087726
-    1SOL     O4    4  -0.004410  -0.475103  -0.090875
-    1SOL     H5    5   0.029004  -0.420872  -0.162322
-    1SOL     H6    6  -0.001691  -0.417995  -0.014105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113369  -0.113887  -0.456145
-    0SOL     H2    2   0.099174  -0.194550  -0.505686
-    0SOL     H3    3   0.136868  -0.143545  -0.368221
-    1SOL     O4    4  -0.117035   0.122265   0.448557
-    1SOL     H5    5  -0.149213   0.119097   0.538650
-    1SOL     H6    6  -0.029151   0.084610   0.453124
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.460661  -0.145988   0.212923
-    0SOL     H2    2  -0.439792  -0.173706   0.302134
-    0SOL     H3    3  -0.554064  -0.164554   0.203254
-    1SOL     O4    4   0.464130   0.141773  -0.216325
-    1SOL     H5    5   0.462050   0.211645  -0.150935
-    1SOL     H6    6   0.477870   0.187132  -0.299487
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077673   0.528111  -0.030747
-    0SOL     H2    2  -0.067195   0.468098   0.043084
-    0SOL     H3    3  -0.154415   0.580701  -0.008223
-    1SOL     O4    4   0.088605  -0.527553   0.025448
-    1SOL     H5    5   0.030103  -0.517949  -0.049702
-    1SOL     H6    6   0.029959  -0.539725   0.100113
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-    6
-    0SOL     O1    1  -0.481632   0.238325  -0.020613
-    0SOL     H2    2  -0.498081   0.300692  -0.091338
-    0SOL     H3    3  -0.526844   0.275470   0.055139
-    1SOL     O4    4   0.477833  -0.244888   0.020077
-    1SOL     H5    5   0.533905  -0.196874   0.081010
-    1SOL     H6    6   0.538547  -0.283587  -0.042999
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.286059  -0.458781   0.081007
-    0SOL     H2    2  -0.353334  -0.392021   0.067613
-    0SOL     H3    3  -0.319386  -0.535958   0.035231
-    1SOL     O4    4   0.292519   0.465703  -0.076231
-    1SOL     H5    5   0.233919   0.436244  -0.145949
-    1SOL     H6    6   0.325386   0.384924  -0.036775
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.547552   0.095059   0.006694
-    0SOL     H2    2   0.545027   0.180113  -0.037144
-    0SOL     H3    3   0.619828   0.102324   0.069029
-    1SOL     O4    4  -0.553240  -0.099847  -0.013522
-    1SOL     H5    5  -0.552691  -0.177198   0.042860
-    1SOL     H6    6  -0.516063  -0.030320   0.040757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.414421  -0.436487   0.060958
-    0SOL     H2    2  -0.502626  -0.462822   0.087197
-    0SOL     H3    3  -0.389232  -0.500213  -0.005877
-    1SOL     O4    4   0.423240   0.443950  -0.056078
-    1SOL     H5    5   0.402578   0.350969  -0.065558
-    1SOL     H6    6   0.349514   0.489215  -0.097042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.577498   0.339520  -0.196727
-    0SOL     H2    2   0.613880   0.400154  -0.261242
-    0SOL     H3    3   0.483452   0.357331  -0.197418
-    1SOL     O4    4  -0.579105  -0.340928   0.204345
-    1SOL     H5    5  -0.536445  -0.307416   0.125482
-    1SOL     H6    6  -0.537641  -0.425798   0.219838
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.207305  -0.680049  -0.106349
-    0SOL     H2    2  -0.128930  -0.633421  -0.135427
-    0SOL     H3    3  -0.237899  -0.726478  -0.184263
-    1SOL     O4    4   0.203083   0.673590   0.114974
-    1SOL     H5    5   0.274403   0.708136   0.061286
-    1SOL     H6    6   0.150057   0.750273   0.136662
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.556785  -0.343581  -0.348559
-    0SOL     H2    2  -0.594117  -0.333593  -0.436131
-    0SOL     H3    3  -0.555963  -0.254892  -0.312562
-    1SOL     O4    4   0.564254   0.339087   0.355944
-    1SOL     H5    5   0.517096   0.257617   0.338592
-    1SOL     H6    6   0.522371   0.403650   0.299026
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.699936   0.158904  -0.497472
-    0SOL     H2    2   0.755940   0.221526  -0.451600
-    0SOL     H3    3   0.655644   0.210936  -0.564504
-    1SOL     O4    4  -0.702163  -0.164987   0.503968
-    1SOL     H5    5  -0.613710  -0.157921   0.468072
-    1SOL     H6    6  -0.758886  -0.170658   0.427074
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.417566  -0.276734  -0.727118
-    0SOL     H2    2  -0.467337  -0.201693  -0.759582
-    0SOL     H3    3  -0.351765  -0.292949  -0.794717
-    1SOL     O4    4   0.419019   0.268705   0.736664
-    1SOL     H5    5   0.383358   0.355297   0.756476
-    1SOL     H6    6   0.418984   0.264037   0.641058
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.816866   0.348152   0.085103
-    0SOL     H2    2  -0.838594   0.272583   0.139688
-    0SOL     H3    3  -0.829885   0.317478  -0.004630
-    1SOL     O4    4   0.822027  -0.348165  -0.079975
-    1SOL     H5    5   0.856651  -0.259184  -0.086746
-    1SOL     H6    6   0.734318  -0.342739  -0.117921
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.931296   0.046586   0.270800
-    0SOL     H2    2  -0.982895  -0.033279   0.259777
-    0SOL     H3    3  -0.907877   0.047409   0.363607
-    1SOL     O4    4   0.935771  -0.047237  -0.272867
-    1SOL     H5    5   0.919615  -0.026519  -0.364911
-    1SOL     H6    6   0.901388   0.028130  -0.224911
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026721  -0.024991   0.120929
-    0SOL     H2    2  -0.002505  -0.115036   0.135071
-    0SOL     H3    3   0.117965  -0.024552   0.149852
-    1SOL     O4    4  -0.026861   0.032273  -0.129933
-    1SOL     H5    5   0.002602  -0.022554  -0.057213
-    1SOL     H6    6  -0.112187   0.065426  -0.101956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046625  -0.099782  -0.080131
-    0SOL     H2    2  -0.134685  -0.122293  -0.050116
-    0SOL     H3    3  -0.023426  -0.021621  -0.029981
-    1SOL     O4    4   0.053854   0.091000   0.072918
-    1SOL     H5    5   0.049523   0.179681   0.037151
-    1SOL     H6    6  -0.002906   0.093395   0.149956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019353  -0.098898   0.076186
-    0SOL     H2    2   0.003252  -0.191292   0.065478
-    0SOL     H3    3  -0.041151  -0.090123   0.168977
-    1SOL     O4    4   0.016230   0.105680  -0.087931
-    1SOL     H5    5  -0.001755   0.027162  -0.036223
-    1SOL     H6    6   0.078229   0.155691  -0.034851
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120246  -0.041562   0.014130
-    0SOL     H2    2  -0.163973   0.000298  -0.060018
-    0SOL     H3    3  -0.191439  -0.066259   0.073153
-    1SOL     O4    4   0.128683   0.045660  -0.018324
-    1SOL     H5    5   0.186257   0.008986   0.048777
-    1SOL     H6    6   0.044740   0.001783  -0.004514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029396   0.025535   0.122987
-    0SOL     H2    2   0.018156   0.009041   0.204406
-    0SOL     H3    3  -0.078138   0.106226   0.139587
-    1SOL     O4    4   0.035411  -0.031179  -0.131459
-    1SOL     H5    5   0.022157  -0.015000  -0.038052
-    1SOL     H6    6  -0.048846  -0.010051  -0.171667
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018472   0.005009  -0.137406
-    0SOL     H2    2  -0.009706  -0.026102  -0.051380
-    0SOL     H3    3  -0.042337   0.075890  -0.158393
-    1SOL     O4    4  -0.015487  -0.010001   0.127634
-    1SOL     H5    5  -0.063583   0.055590   0.178101
-    1SOL     H6    6   0.061254  -0.029995   0.181238
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102436  -0.077384  -0.057616
-    0SOL     H2    2   0.042590  -0.142429  -0.094357
-    0SOL     H3    3   0.047896  -0.025070   0.001129
-    1SOL     O4    4  -0.094013   0.071562   0.056783
-    1SOL     H5    5  -0.118242   0.117126  -0.023835
-    1SOL     H6    6  -0.110251   0.135397   0.126236
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030902   0.046382  -0.124947
-    0SOL     H2    2   0.125785   0.057686  -0.119310
-    0SOL     H3    3  -0.005043   0.120796  -0.076647
-    1SOL     O4    4  -0.028563  -0.055200   0.123536
-    1SOL     H5    5  -0.091825  -0.015307   0.183275
-    1SOL     H6    6  -0.056293  -0.026481   0.036538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104555  -0.092325   0.011971
-    0SOL     H2    2  -0.185433  -0.043555   0.027543
-    0SOL     H3    3  -0.035549  -0.026075   0.015369
-    1SOL     O4    4   0.099671   0.087522  -0.008832
-    1SOL     H5    5   0.173037   0.028894   0.009676
-    1SOL     H6    6   0.113374   0.115257  -0.099415
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006671  -0.042841   0.123232
-    0SOL     H2    2   0.070195  -0.033587   0.179519
-    0SOL     H3    3  -0.080020  -0.014828   0.177982
-    1SOL     O4    4   0.012253   0.039584  -0.133910
-    1SOL     H5    5   0.001018   0.029406  -0.039398
-    1SOL     H6    6  -0.074174   0.065732  -0.165674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086436   0.109343   0.013687
-    0SOL     H2    2  -0.010252   0.053149  -0.000474
-    0SOL     H3    3  -0.054899   0.178240   0.072176
-    1SOL     O4    4   0.076656  -0.104862  -0.015884
-    1SOL     H5    5   0.128409  -0.139800   0.056664
-    1SOL     H6    6   0.095131  -0.163720  -0.089073
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008300   0.087875   0.097868
-    0SOL     H2    2   0.018401   0.023754   0.168216
-    0SOL     H3    3  -0.002979   0.171500   0.143056
-    1SOL     O4    4  -0.004254  -0.089709  -0.109857
-    1SOL     H5    5  -0.078827  -0.145503  -0.087759
-    1SOL     H6    6   0.001399  -0.027401  -0.037414
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078275   0.057578  -0.105599
-    0SOL     H2    2   0.023637   0.051501  -0.027240
-    0SOL     H3    3   0.110045  -0.031611  -0.119680
-    1SOL     O4    4  -0.072744  -0.055024   0.097705
-    1SOL     H5    5  -0.165527  -0.036143   0.083664
-    1SOL     H6    6  -0.053399  -0.017679   0.183690
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030073   0.080326   0.100854
-    0SOL     H2    2   0.088621   0.100829   0.173752
-    0SOL     H3    3  -0.055136   0.114271   0.128232
-    1SOL     O4    4  -0.034567  -0.086205  -0.106965
-    1SOL     H5    5  -0.003275  -0.047021  -0.025431
-    1SOL     H6    6   0.036345  -0.071313  -0.169512
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034724  -0.100064  -0.077606
-    0SOL     H2    2  -0.089151  -0.090289  -0.155738
-    0SOL     H3    3  -0.006159  -0.191402  -0.079530
-    1SOL     O4    4   0.038023   0.104012   0.088220
-    1SOL     H5    5   0.046438   0.182116   0.033527
-    1SOL     H6    6  -0.005819   0.040038   0.032118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100713  -0.076392  -0.044817
-    0SOL     H2    2  -0.084169  -0.141558  -0.112949
-    0SOL     H3    3  -0.157516  -0.121136   0.017902
-    1SOL     O4    4   0.101861   0.089521   0.043918
-    1SOL     H5    5   0.185587   0.047472   0.063518
-    1SOL     H6    6   0.038103   0.018155   0.045964
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035020   0.070463   0.121847
-    0SOL     H2    2  -0.016182   0.046013   0.031240
-    0SOL     H3    3   0.037375   0.033333   0.172271
-    1SOL     O4    4   0.027103  -0.062446  -0.115915
-    1SOL     H5    5   0.052983  -0.060716  -0.208054
-    1SOL     H6    6   0.054745  -0.148657  -0.084837
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009964   0.132127  -0.013180
-    0SOL     H2    2  -0.059486   0.211421   0.007373
-    0SOL     H3    3   0.066146   0.163372  -0.062103
-    1SOL     O4    4   0.012388  -0.142862   0.019463
-    1SOL     H5    5  -0.047966  -0.171897  -0.048923
-    1SOL     H6    6   0.007477  -0.047304   0.016816
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029241  -0.097801   0.098757
-    0SOL     H2    2   0.035692  -0.147519   0.148497
-    0SOL     H3    3   0.022080  -0.048989   0.034369
-    1SOL     O4    4   0.025675   0.095617  -0.093537
-    1SOL     H5    5  -0.001959   0.052251  -0.174271
-    1SOL     H6    6  -0.014603   0.182342  -0.097881
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106339   0.040301   0.080948
-    0SOL     H2    2  -0.134043   0.057984   0.170849
-    0SOL     H3    3  -0.010865   0.035444   0.085773
-    1SOL     O4    4   0.106805  -0.039425  -0.081471
-    1SOL     H5    5   0.092255  -0.125954  -0.119725
-    1SOL     H6    6   0.044592   0.017569  -0.126677
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012389   0.055870   0.134456
-    0SOL     H2    2  -0.034888   0.036376   0.043483
-    0SOL     H3    3   0.015766  -0.028112   0.170740
-    1SOL     O4    4   0.010303  -0.043171  -0.127381
-    1SOL     H5    5  -0.024096  -0.131063  -0.111442
-    1SOL     H6    6   0.072336  -0.054376  -0.199414
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085332  -0.072019   0.084831
-    0SOL     H2    2  -0.094445  -0.051807  -0.008286
-    0SOL     H3    3  -0.172364  -0.056279   0.121436
-    1SOL     O4    4   0.085743   0.070745  -0.086391
-    1SOL     H5    5   0.168711   0.024370  -0.097706
-    1SOL     H6    6   0.088850   0.103946   0.003332
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085737  -0.111070  -0.002505
-    0SOL     H2    2   0.147607  -0.101733  -0.074943
-    0SOL     H3    3   0.017710  -0.169260  -0.036396
-    1SOL     O4    4  -0.086418   0.119412   0.004743
-    1SOL     H5    5  -0.002397   0.082978   0.032587
-    1SOL     H6    6  -0.151591   0.057982   0.038524
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111680   0.051955   0.061003
-    0SOL     H2    2  -0.179296   0.110547   0.026985
-    0SOL     H3    3  -0.086652   0.090405   0.145012
-    1SOL     O4    4   0.117888  -0.057535  -0.070798
-    1SOL     H5    5   0.122598  -0.127142  -0.005261
-    1SOL     H6    6   0.059704   0.007914  -0.032153
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020858  -0.052077   0.126354
-    0SOL     H2    2  -0.014702   0.013692   0.195628
-    0SOL     H3    3  -0.076052  -0.120919   0.163458
-    1SOL     O4    4   0.029566   0.054729  -0.133002
-    1SOL     H5    5  -0.041329   0.057049  -0.197274
-    1SOL     H6    6  -0.008346   0.010518  -0.057039
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-    6
-    0SOL     O1    1   0.073858   0.065478   0.096194
-    0SOL     H2    2   0.105439   0.028424   0.178608
-    0SOL     H3    3   0.125990   0.144827   0.084020
-    1SOL     O4    4  -0.084346  -0.069703  -0.099315
-    1SOL     H5    5  -0.027016  -0.082969  -0.174811
-    1SOL     H6    6  -0.029582  -0.024282  -0.035282
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020660  -0.127080   0.057031
-    0SOL     H2    2   0.010919  -0.212470   0.086587
-    0SOL     H3    3  -0.067024  -0.145592  -0.024639
-    1SOL     O4    4   0.018159   0.133817  -0.059188
-    1SOL     H5    5   0.058133   0.202387  -0.005686
-    1SOL     H6    6   0.041157   0.052224  -0.014735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036156   0.129000  -0.035618
-    0SOL     H2    2   0.020639   0.205348  -0.045996
-    0SOL     H3    3  -0.124918   0.163763  -0.044283
-    1SOL     O4    4   0.034948  -0.141995   0.036270
-    1SOL     H5    5   0.013986  -0.061444  -0.011000
-    1SOL     H6    6   0.109139  -0.118501   0.092002
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047442   0.138073  -0.044539
-    0SOL     H2    2   0.044723   0.119238  -0.062233
-    0SOL     H3    3  -0.083878   0.054460  -0.015494
-    1SOL     O4    4   0.047513  -0.131069   0.038149
-    1SOL     H5    5  -0.017351  -0.199149   0.056039
-    1SOL     H6    6   0.054131  -0.082091   0.120124
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020188  -0.146665  -0.001674
-    0SOL     H2    2  -0.022528  -0.062948   0.016467
-    0SOL     H3    3  -0.050537  -0.211045   0.002264
-    1SOL     O4    4  -0.009123   0.140165   0.003143
-    1SOL     H5    5  -0.014671   0.173428  -0.086440
-    1SOL     H6    6  -0.074393   0.190707   0.051595
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.134349   0.062875   0.005067
-    0SOL     H2    2   0.162515   0.124248  -0.062774
-    0SOL     H3    3   0.038864   0.061934  -0.001567
-    1SOL     O4    4  -0.126545  -0.060159  -0.002018
-    1SOL     H5    5  -0.218953  -0.076040  -0.021278
-    1SOL     H6    6  -0.095654  -0.142108   0.036613
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122987  -0.050351   0.046883
-    0SOL     H2    2   0.164130  -0.109540   0.109860
-    0SOL     H3    3   0.162240  -0.073746  -0.037226
-    1SOL     O4    4  -0.133000   0.057285  -0.043282
-    1SOL     H5    5  -0.061568   0.007014  -0.004131
-    1SOL     H6    6  -0.105716   0.071112  -0.133983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075129   0.093943  -0.078455
-    0SOL     H2    2   0.159589   0.087062  -0.033942
-    0SOL     H3    3   0.048310   0.184856  -0.065122
-    1SOL     O4    4  -0.084908  -0.097734   0.078612
-    1SOL     H5    5  -0.034656  -0.178423   0.067375
-    1SOL     H6    6  -0.033814  -0.031053   0.032726
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126055   0.032611   0.064249
-    0SOL     H2    2   0.153518   0.109945   0.113520
-    0SOL     H3    3   0.075345  -0.019008   0.126910
-    1SOL     O4    4  -0.129681  -0.030384  -0.071563
-    1SOL     H5    5  -0.049593  -0.008368  -0.023986
-    1SOL     H6    6  -0.113237  -0.117725  -0.107109
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.081954  -0.129477  -0.010791
-    0SOL     H2    2  -0.009076  -0.074223  -0.039043
-    0SOL     H3    3  -0.138494  -0.070797   0.039431
-    1SOL     O4    4   0.075717   0.124708   0.012916
-    1SOL     H5    5   0.164202   0.115156   0.048150
-    1SOL     H6    6   0.085262   0.107849  -0.080823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047757   0.053435  -0.122627
-    0SOL     H2    2  -0.071455   0.140869  -0.153546
-    0SOL     H3    3  -0.104607  -0.005694  -0.171965
-    1SOL     O4    4   0.057064  -0.059407   0.128633
-    1SOL     H5    5   0.047628  -0.007235   0.048938
-    1SOL     H6    6  -0.017159  -0.033469   0.183226
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136664  -0.025461  -0.048371
-    0SOL     H2    2  -0.205679   0.028812  -0.086499
-    0SOL     H3    3  -0.071837  -0.034424  -0.118223
-    1SOL     O4    4   0.142444   0.022600   0.058539
-    1SOL     H5    5   0.119109   0.090085  -0.005208
-    1SOL     H6    6   0.069630  -0.039460   0.055529
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040529  -0.122313  -0.084621
-    0SOL     H2    2   0.031449  -0.089198   0.004729
-    0SOL     H3    3  -0.049439  -0.133988  -0.115146
-    1SOL     O4    4  -0.040979   0.117419   0.080388
-    1SOL     H5    5   0.023460   0.121196   0.151068
-    1SOL     H6    6  -0.003289   0.171080   0.010658
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063840   0.079112   0.106363
-    0SOL     H2    2  -0.081424   0.126887   0.187422
-    0SOL     H3    3  -0.140679   0.023337   0.094227
-    1SOL     O4    4   0.069957  -0.084029  -0.107240
-    1SOL     H5    5   0.041075   0.000864  -0.073753
-    1SOL     H6    6   0.080628  -0.070327  -0.201371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025403  -0.138362   0.049007
-    0SOL     H2    2   0.053331  -0.141554   0.103348
-    0SOL     H3    3  -0.095820  -0.167224   0.107065
-    1SOL     O4    4   0.031615   0.141648  -0.054351
-    1SOL     H5    5  -0.035975   0.194241  -0.097104
-    1SOL     H6    6  -0.013502   0.061471  -0.027923
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073079  -0.104582  -0.076720
-    0SOL     H2    2  -0.122342  -0.139909  -0.002642
-    0SOL     H3    3  -0.138380  -0.093347  -0.145799
-    1SOL     O4    4   0.085003   0.107350   0.081040
-    1SOL     H5    5   0.074634   0.028718   0.027451
-    1SOL     H6    6   0.007407   0.159962   0.061722
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135624   0.057147  -0.014911
-    0SOL     H2    2  -0.211337   0.036959   0.040064
-    0SOL     H3    3  -0.153947   0.144332  -0.049916
-    1SOL     O4    4   0.146716  -0.064171   0.016938
-    1SOL     H5    5   0.097781   0.013319   0.044560
-    1SOL     H6    6   0.104305  -0.091616  -0.064366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004894  -0.111116   0.106489
-    0SOL     H2    2   0.067820  -0.158228   0.147175
-    0SOL     H3    3  -0.007968  -0.144521   0.016840
-    1SOL     O4    4   0.003901   0.121753  -0.101322
-    1SOL     H5    5  -0.074958   0.077800  -0.069514
-    1SOL     H6    6   0.037521   0.064064  -0.169907
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126812  -0.012261   0.079030
-    0SOL     H2    2  -0.129545  -0.045037   0.168923
-    0SOL     H3    3  -0.192692   0.057144   0.076778
-    1SOL     O4    4   0.131770   0.017686  -0.083361
-    1SOL     H5    5   0.050314  -0.032553  -0.081539
-    1SOL     H6    6   0.199962  -0.047712  -0.098703
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042525  -0.142289   0.011880
-    0SOL     H2    2  -0.001080  -0.213254   0.059049
-    0SOL     H3    3   0.115822  -0.184649  -0.032791
-    1SOL     O4    4  -0.046036   0.152454  -0.006563
-    1SOL     H5    5  -0.016526   0.061760  -0.014683
-    1SOL     H6    6  -0.047134   0.185469  -0.096403
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024093   0.042187   0.148105
-    0SOL     H2    2   0.019518   0.062552   0.230843
-    0SOL     H3    3  -0.019505  -0.053187   0.141398
-    1SOL     O4    4   0.026005  -0.038072  -0.147651
-    1SOL     H5    5   0.020972  -0.097858  -0.222234
-    1SOL     H6    6  -0.050250   0.018955  -0.157418
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040366   0.126964  -0.081880
-    0SOL     H2    2   0.003540   0.205364  -0.122619
-    0SOL     H3    3   0.007751   0.054567  -0.135333
-    1SOL     O4    4  -0.036567  -0.124841   0.094163
-    1SOL     H5    5   0.038425  -0.154958   0.042865
-    1SOL     H6    6  -0.110841  -0.131249   0.034125
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004160   0.159898   0.041795
-    0SOL     H2    2  -0.005908   0.073943  -0.000288
-    0SOL     H3    3  -0.069897   0.154017   0.111123
-    1SOL     O4    4   0.012084  -0.149421  -0.044904
-    1SOL     H5    5  -0.049300  -0.199992  -0.098166
-    1SOL     H6    6   0.004158  -0.186806   0.042856
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050550   0.131487  -0.068066
-    0SOL     H2    2   0.045110   0.227048  -0.067186
-    0SOL     H3    3   0.144029   0.112692  -0.059654
-    1SOL     O4    4  -0.059814  -0.140444   0.066112
-    1SOL     H5    5  -0.034057  -0.068675   0.008249
-    1SOL     H6    6  -0.005683  -0.128914   0.144209
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003168  -0.138749  -0.092315
-    0SOL     H2    2   0.020227  -0.199001  -0.021713
-    0SOL     H3    3  -0.033697  -0.059900  -0.047447
-    1SOL     O4    4   0.006188   0.131232   0.085882
-    1SOL     H5    5  -0.060740   0.173217   0.139922
-    1SOL     H6    6   0.028199   0.196790   0.019701
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016232   0.071727   0.141134
-    0SOL     H2    2   0.019751   0.006551   0.201298
-    0SOL     H3    3   0.020609   0.154874   0.170993
-    1SOL     O4    4   0.008850  -0.074213  -0.152062
-    1SOL     H5    5   0.033817   0.013985  -0.124493
-    1SOL     H6    6   0.039401  -0.131015  -0.081334
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029760   0.084759   0.145796
-    0SOL     H2    2  -0.033826   0.071205   0.075543
-    0SOL     H3    3   0.089350   0.010163   0.138951
-    1SOL     O4    4  -0.030895  -0.076710  -0.134714
-    1SOL     H5    5  -0.088391  -0.078897  -0.211211
-    1SOL     H6    6   0.049980  -0.118515  -0.164276
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054581   0.084638   0.133593
-    0SOL     H2    2  -0.033476   0.097840   0.168719
-    0SOL     H3    3   0.056170   0.136041   0.052861
-    1SOL     O4    4  -0.054957  -0.089365  -0.129582
-    1SOL     H5    5  -0.013794  -0.068710  -0.213495
-    1SOL     H6    6   0.017988  -0.095332  -0.067892
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095430   0.052020  -0.124095
-    0SOL     H2    2   0.143766   0.132264  -0.143766
-    0SOL     H3    3   0.161091  -0.007154  -0.087360
-    1SOL     O4    4  -0.107752  -0.056647   0.125225
-    1SOL     H5    5  -0.098598  -0.011908   0.041101
-    1SOL     H6    6  -0.023878  -0.042564   0.169147
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112356   0.046321  -0.118065
-    0SOL     H2    2   0.122035   0.009227  -0.030357
-    0SOL     H3    3   0.157170  -0.015796  -0.175472
-    1SOL     O4    4  -0.115693  -0.045615   0.120882
-    1SOL     H5    5  -0.087096   0.045146   0.131227
-    1SOL     H6    6  -0.141810  -0.052226   0.029031
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000834  -0.126091  -0.117027
-    0SOL     H2    2   0.046106  -0.207269  -0.094162
-    0SOL     H3    3  -0.021359  -0.086440  -0.032780
-    1SOL     O4    4  -0.005820   0.123185   0.110385
-    1SOL     H5    5   0.075185   0.146358   0.155812
-    1SOL     H6    6  -0.031605   0.203361   0.064897
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105929  -0.044118   0.125423
-    0SOL     H2    2   0.098802   0.050128   0.110280
-    0SOL     H3    3   0.196399  -0.065339   0.102464
-    1SOL     O4    4  -0.116749   0.037848  -0.125524
-    1SOL     H5    5  -0.044035  -0.022300  -0.109488
-    1SOL     H6    6  -0.083479   0.123451  -0.098550
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.087394  -0.086657   0.130267
-    0SOL     H2    2   0.005067  -0.073404   0.109349
-    0SOL     H3    3  -0.131987  -0.011994   0.090277
-    1SOL     O4    4   0.084230   0.075371  -0.128950
-    1SOL     H5    5   0.015032   0.137867  -0.107313
-    1SOL     H6    6   0.165513   0.121305  -0.107843
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048095  -0.100337   0.128940
-    0SOL     H2    2   0.028812  -0.065532   0.174064
-    0SOL     H3    3  -0.114454  -0.108513   0.197439
-    1SOL     O4    4   0.052500   0.103706  -0.132264
-    1SOL     H5    5   0.010087   0.095410  -0.217673
-    1SOL     H6    6   0.015486   0.032515  -0.080072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.151789  -0.037740  -0.081279
-    0SOL     H2    2  -0.155595   0.047791  -0.124084
-    0SOL     H3    3  -0.170611  -0.019374   0.010758
-    1SOL     O4    4   0.156227   0.036192   0.080675
-    1SOL     H5    5   0.106223   0.035021  -0.000937
-    1SOL     H6    6   0.139556  -0.049348   0.120264
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046462  -0.066631   0.151247
-    0SOL     H2    2  -0.019079   0.001976   0.212121
-    0SOL     H3    3  -0.130707  -0.096711   0.185309
-    1SOL     O4    4   0.053604   0.062476  -0.152150
-    1SOL     H5    5  -0.041734   0.055204  -0.156642
-    1SOL     H6    6   0.077562   0.112472  -0.230180
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092819   0.161981  -0.000746
-    0SOL     H2    2  -0.058214   0.072995   0.006060
-    0SOL     H3    3  -0.185250   0.150176  -0.022645
-    1SOL     O4    4   0.099254  -0.154756   0.007276
-    1SOL     H5    5   0.087870  -0.105260  -0.073859
-    1SOL     H6    6   0.052351  -0.236808  -0.007886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.157840  -0.081046  -0.059005
-    0SOL     H2    2   0.175433   0.008561  -0.030307
-    0SOL     H3    3   0.120567  -0.071301  -0.146629
-    1SOL     O4    4  -0.152190   0.081209   0.064222
-    1SOL     H5    5  -0.184382   0.007928   0.116718
-    1SOL     H6    6  -0.194668   0.070268  -0.020857
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.173143  -0.042324  -0.035185
-    0SOL     H2    2  -0.147939  -0.128986  -0.003300
-    0SOL     H3    3  -0.239698  -0.059667  -0.101759
-    1SOL     O4    4   0.179702   0.046201   0.032424
-    1SOL     H5    5   0.146866   0.134222   0.050766
-    1SOL     H6    6   0.139285  -0.008936   0.099422
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011263  -0.128733  -0.132446
-    0SOL     H2    2  -0.035372  -0.124236  -0.048976
-    0SOL     H3    3  -0.019081  -0.210187  -0.172531
-    1SOL     O4    4  -0.009383   0.129251   0.124899
-    1SOL     H5    5   0.059627   0.193478   0.108321
-    1SOL     H6    6  -0.027587   0.137212   0.218534
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066645  -0.175119   0.001706
-    0SOL     H2    2   0.091900  -0.220637  -0.078623
-    0SOL     H3    3   0.137803  -0.193435   0.063053
-    1SOL     O4    4  -0.073312   0.181772   0.004646
-    1SOL     H5    5  -0.003034   0.201337  -0.057326
-    1SOL     H6    6  -0.116576   0.104527  -0.031736
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.193449   0.004792  -0.046753
-    0SOL     H2    2  -0.130956   0.059152   0.001225
-    0SOL     H3    3  -0.204968  -0.072729   0.008203
-    1SOL     O4    4   0.188985  -0.010271   0.043601
-    1SOL     H5    5   0.196333   0.069237   0.096391
-    1SOL     H6    6   0.209067   0.018179  -0.045560
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036389  -0.189782   0.045482
-    0SOL     H2    2  -0.010764  -0.273578   0.006962
-    0SOL     H3    3  -0.004040  -0.193847   0.135479
-    1SOL     O4    4   0.027805   0.198603  -0.048948
-    1SOL     H5    5   0.034316   0.105469  -0.027829
-    1SOL     H6    6   0.118615   0.228326  -0.054644
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.136241   0.129207  -0.092462
-    0SOL     H2    2   0.108134   0.037726  -0.094351
-    0SOL     H3    3   0.058208   0.177740  -0.065671
-    1SOL     O4    4  -0.126300  -0.127603   0.086642
-    1SOL     H5    5  -0.170060  -0.196613   0.136493
-    1SOL     H6    6  -0.161876  -0.046129   0.122119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.081115   0.170582   0.114205
-    0SOL     H2    2  -0.040496   0.253686   0.138824
-    0SOL     H3    3  -0.011039   0.121358   0.071442
-    1SOL     O4    4   0.078608  -0.166835  -0.113481
-    1SOL     H5    5   0.099381  -0.249912  -0.070714
-    1SOL     H6    6  -0.008572  -0.180139  -0.150694
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012065  -0.116852   0.185569
-    0SOL     H2    2  -0.038811  -0.036635   0.197367
-    0SOL     H3    3   0.093812  -0.100564   0.232627
-    1SOL     O4    4  -0.013142   0.108442  -0.182370
-    1SOL     H5    5  -0.085747   0.099435  -0.244092
-    1SOL     H6    6   0.052410   0.159647  -0.229735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071748  -0.081047   0.195382
-    0SOL     H2    2  -0.077720  -0.080021   0.290910
-    0SOL     H3    3  -0.046519   0.008266   0.171953
-    1SOL     O4    4   0.070710   0.070564  -0.202639
-    1SOL     H5    5   0.147182   0.120532  -0.174045
-    1SOL     H6    6  -0.003968   0.117875  -0.165934
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.151411  -0.066409  -0.150279
-    0SOL     H2    2   0.235446  -0.023680  -0.166852
-    0SOL     H3    3   0.173430  -0.142799  -0.096969
-    1SOL     O4    4  -0.155059   0.063600   0.153932
-    1SOL     H5    5  -0.243699   0.084926   0.124770
-    1SOL     H6    6  -0.097927   0.113387   0.095455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097630   0.111801   0.188347
-    0SOL     H2    2  -0.101218   0.035845   0.130209
-    0SOL     H3    3  -0.045995   0.176448   0.140213
-    1SOL     O4    4   0.092334  -0.114829  -0.186399
-    1SOL     H5    5   0.184539  -0.094517  -0.170650
-    1SOL     H6    6   0.045313  -0.067922  -0.117471
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136835  -0.076768  -0.194976
-    0SOL     H2    2  -0.151056  -0.164404  -0.230754
-    0SOL     H3    3  -0.223509  -0.036158  -0.195790
-    1SOL     O4    4   0.147626   0.082716   0.194730
-    1SOL     H5    5   0.142827   0.047659   0.283670
-    1SOL     H6    6   0.064635   0.057268   0.154392
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034061   0.247925  -0.002626
-    0SOL     H2    2  -0.040806   0.321323   0.058444
-    0SOL     H3    3  -0.091548   0.271837  -0.075330
-    1SOL     O4    4   0.039047  -0.250057   0.008482
-    1SOL     H5    5   0.095151  -0.313642  -0.035921
-    1SOL     H6    6  -0.040935  -0.247814  -0.044055
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.206113  -0.030551  -0.151066
-    0SOL     H2    2  -0.263792   0.045839  -0.150995
-    0SOL     H3    3  -0.243867  -0.089068  -0.216737
-    1SOL     O4    4   0.212731   0.025669   0.149575
-    1SOL     H5    5   0.224830  -0.001633   0.240518
-    1SOL     H6    6   0.184904   0.117066   0.155455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.153254  -0.242396   0.043377
-    0SOL     H2    2  -0.200957  -0.170751   0.001499
-    0SOL     H3    3  -0.123359  -0.297039  -0.029305
-    1SOL     O4    4   0.156098   0.235518  -0.034282
-    1SOL     H5    5   0.127108   0.250524  -0.124264
-    1SOL     H6    6   0.153262   0.322028   0.006588
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028082  -0.063382   0.280593
-    0SOL     H2    2  -0.044463  -0.123049   0.262172
-    0SOL     H3    3   0.057688  -0.087939   0.368244
-    1SOL     O4    4  -0.030136   0.072419  -0.283980
-    1SOL     H5    5  -0.007963  -0.001503  -0.227357
-    1SOL     H6    6   0.034181   0.068564  -0.354767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.146124   0.061451  -0.286411
-    0SOL     H2    2   0.237975   0.075176  -0.309590
-    0SOL     H3    3   0.136062  -0.033695  -0.283518
-    1SOL     O4    4  -0.150353  -0.051174   0.291588
-    1SOL     H5    5  -0.220418  -0.073201   0.230204
-    1SOL     H6    6  -0.087666  -0.123028   0.283243
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.214576   0.191044  -0.155855
-    0SOL     H2    2   0.307039   0.197006  -0.179880
-    0SOL     H3    3   0.210204   0.228341  -0.067809
-    1SOL     O4    4  -0.218675  -0.192644   0.159267
-    1SOL     H5    5  -0.182011  -0.260760   0.102890
-    1SOL     H6    6  -0.268946  -0.136855   0.099914
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018704   0.338491  -0.036957
-    0SOL     H2    2  -0.019145   0.426410  -0.036685
-    0SOL     H3    3   0.069221   0.333860   0.044215
-    1SOL     O4    4  -0.022344  -0.348332   0.034890
-    1SOL     H5    5   0.029043  -0.278292   0.075092
-    1SOL     H6    6  -0.024931  -0.325847  -0.058116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051666   0.118825  -0.371544
-    0SOL     H2    2  -0.060529   0.101090  -0.277900
-    0SOL     H3    3   0.017336   0.184940  -0.377022
-    1SOL     O4    4   0.045875  -0.125943   0.368985
-    1SOL     H5    5   0.016740  -0.034765   0.368573
-    1SOL     H6    6   0.130001  -0.124462   0.323347
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.413392   0.034786   0.029624
-    0SOL     H2    2   0.321896   0.049218   0.005489
-    0SOL     H3    3   0.461302   0.104536  -0.015119
-    1SOL     O4    4  -0.408682  -0.044770  -0.026956
-    1SOL     H5    5  -0.371604   0.039084  -0.054454
-    1SOL     H6    6  -0.491267  -0.021697   0.015586
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.160353  -0.367216   0.220387
-    0SOL     H2    2  -0.253121  -0.355079   0.240615
-    0SOL     H3    3  -0.115672  -0.354435   0.304069
-    1SOL     O4    4   0.168132   0.365007  -0.230272
-    1SOL     H5    5   0.078121   0.337055  -0.246975
-    1SOL     H6    6   0.164748   0.406612  -0.144133
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.195408  -0.344916  -0.339948
-    0SOL     H2    2   0.288455  -0.331837  -0.358212
-    0SOL     H3    3   0.150338  -0.294132  -0.407416
-    1SOL     O4    4  -0.197498   0.340057   0.350803
-    1SOL     H5    5  -0.134494   0.381721   0.292007
-    1SOL     H6    6  -0.273400   0.321620   0.295473
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001892  -0.607950   0.048549
-    0SOL     H2    2   0.032974  -0.629744  -0.037890
-    0SOL     H3    3   0.053367  -0.656638   0.109689
-    1SOL     O4    4   0.002711   0.612475  -0.043504
-    1SOL     H5    5  -0.076180   0.563599  -0.020060
-    1SOL     H6    6  -0.014250   0.644325  -0.132162
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.531631  -0.393800   0.037555
-    0SOL     H2    2  -0.614977  -0.351645   0.058498
-    0SOL     H3    3  -0.485758  -0.399245   0.121391
-    1SOL     O4    4   0.533083   0.388728  -0.037538
-    1SOL     H5    5   0.608466   0.403184  -0.094729
-    1SOL     H6    6   0.460998   0.434470  -0.080823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.668772  -0.123225  -0.229824
-    0SOL     H2    2   0.656267  -0.071738  -0.309543
-    0SOL     H3    3   0.611346  -0.198994  -0.240937
-    1SOL     O4    4  -0.663728   0.127076   0.240959
-    1SOL     H5    5  -0.720969   0.054808   0.215206
-    1SOL     H6    6  -0.625843   0.158157   0.158733
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113105   0.176460   0.729716
-    0SOL     H2    2  -0.062070   0.109292   0.774952
-    0SOL     H3    3  -0.202568   0.142423   0.729326
-    1SOL     O4    4   0.111542  -0.168941  -0.726193
-    1SOL     H5    5   0.139479  -0.112914  -0.798600
-    1SOL     H6    6   0.140254  -0.256729  -0.751318
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004802   0.021952   0.130087
-    0SOL     H2    2   0.024764  -0.014798   0.043986
-    0SOL     H3    3   0.003281   0.116619   0.116008
-    1SOL     O4    4   0.000561  -0.027642  -0.121848
-    1SOL     H5    5  -0.075996  -0.083053  -0.137049
-    1SOL     H6    6  -0.031406   0.061608  -0.135071
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051762   0.121363  -0.017495
-    0SOL     H2    2   0.083492   0.125610  -0.107703
-    0SOL     H3    3   0.029278   0.029265  -0.004275
-    1SOL     O4    4  -0.046487  -0.112832   0.023353
-    1SOL     H5    5  -0.130067  -0.098180   0.067647
-    1SOL     H6    6  -0.064490  -0.182931  -0.039291
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000307  -0.086311   0.091800
-    0SOL     H2    2   0.056066  -0.138309   0.033925
-    0SOL     H3    3  -0.059459  -0.149935   0.131073
-    1SOL     O4    4  -0.006054   0.095737  -0.090814
-    1SOL     H5    5   0.025012   0.022069  -0.038181
-    1SOL     H6    6   0.068998   0.119743  -0.145157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062390   0.121004  -0.003602
-    0SOL     H2    2   0.038089   0.029469  -0.017503
-    0SOL     H3    3  -0.020128   0.164857   0.017133
-    1SOL     O4    4  -0.056246  -0.113600   0.008969
-    1SOL     H5    5  -0.003133  -0.192325  -0.003014
-    1SOL     H6    6  -0.110290  -0.108878  -0.069893
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076759  -0.003585  -0.100387
-    0SOL     H2    2  -0.154139  -0.059880  -0.098029
-    0SOL     H3    3  -0.095608   0.060248  -0.169179
-    1SOL     O4    4   0.079726   0.005867   0.109465
-    1SOL     H5    5   0.167591  -0.029656   0.096042
-    1SOL     H6    6   0.037007  -0.002934   0.024260
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099751   0.002050   0.079944
-    0SOL     H2    2   0.136291  -0.041115   0.157171
-    0SOL     H3    3   0.170653   0.000280   0.015662
-    1SOL     O4    4  -0.106950   0.005872  -0.084197
-    1SOL     H5    5  -0.032707  -0.021370  -0.030269
-    1SOL     H6    6  -0.167592  -0.068104  -0.080679
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.006761  -0.140168   0.011942
-    0SOL     H2    2  -0.014520  -0.055864   0.051968
-    0SOL     H3    3   0.010159  -0.121970  -0.081971
-    1SOL     O4    4  -0.007649   0.131166  -0.003227
-    1SOL     H5    5  -0.057769   0.149002  -0.082801
-    1SOL     H6    6   0.079841   0.165254  -0.021823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065408   0.110547   0.003988
-    0SOL     H2    2  -0.025687   0.197161  -0.005108
-    0SOL     H3    3  -0.155100   0.121855  -0.027473
-    1SOL     O4    4   0.071861  -0.120815   0.000939
-    1SOL     H5    5   0.017825  -0.131084  -0.077400
-    1SOL     H6    6   0.057043  -0.030394   0.028630
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032245   0.072553   0.112750
-    0SOL     H2    2  -0.061377   0.065380   0.131349
-    0SOL     H3    3   0.067892  -0.013301   0.135566
-    1SOL     O4    4  -0.023371  -0.067351  -0.119435
-    1SOL     H5    5  -0.111178  -0.105000  -0.125336
-    1SOL     H6    6  -0.026315  -0.011664  -0.041636
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028312  -0.121498   0.065558
-    0SOL     H2    2  -0.096463  -0.160440   0.010774
-    0SOL     H3    3  -0.022541  -0.030712   0.035778
-    1SOL     O4    4   0.025860   0.114673  -0.058782
-    1SOL     H5    5   0.079929   0.168571  -0.001043
-    1SOL     H6    6   0.070219   0.118333  -0.143524
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037343  -0.057655   0.114118
-    0SOL     H2    2  -0.039662  -0.112624   0.128643
-    0SOL     H3    3   0.106025  -0.098069   0.167143
-    1SOL     O4    4  -0.041215   0.067884  -0.119410
-    1SOL     H5    5   0.018223   0.017851  -0.175321
-    1SOL     H6    6  -0.024337   0.035127  -0.031067
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033189  -0.129321   0.007484
-    0SOL     H2    2  -0.122123  -0.162911  -0.003690
-    0SOL     H3    3   0.009482  -0.192986   0.064827
-    1SOL     O4    4   0.032886   0.139505  -0.012347
-    1SOL     H5    5   0.115577   0.137355   0.035820
-    1SOL     H6    6   0.003437   0.048436  -0.013546
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.121109   0.047210   0.033793
-    0SOL     H2    2  -0.161669   0.063000   0.119045
-    0SOL     H3    3  -0.189510   0.004513  -0.017787
-    1SOL     O4    4   0.132608  -0.046941  -0.039392
-    1SOL     H5    5   0.105548  -0.088509   0.042475
-    1SOL     H6    6   0.063485   0.016593  -0.058040
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040089   0.105024  -0.070831
-    0SOL     H2    2   0.021059   0.125869  -0.141462
-    0SOL     H3    3  -0.101476   0.178460  -0.069780
-    1SOL     O4    4   0.035685  -0.113696   0.078648
-    1SOL     H5    5   0.128461  -0.137206   0.080165
-    1SOL     H6    6   0.029660  -0.043977   0.013340
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038532   0.072711   0.114888
-    0SOL     H2    2  -0.019051   0.058508   0.207522
-    0SOL     H3    3   0.021387   0.014214   0.068519
-    1SOL     O4    4   0.028168  -0.067540  -0.113758
-    1SOL     H5    5   0.071253  -0.014084  -0.180455
-    1SOL     H6    6   0.085032  -0.143888  -0.103774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009477   0.113288  -0.090589
-    0SOL     H2    2   0.025535   0.184045  -0.028157
-    0SOL     H3    3   0.042022   0.034701  -0.046688
-    1SOL     O4    4  -0.009852  -0.115514   0.089668
-    1SOL     H5    5  -0.083171  -0.054516   0.081552
-    1SOL     H6    6   0.019034  -0.130431  -0.000362
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111634   0.047046   0.076950
-    0SOL     H2    2   0.200423   0.011531   0.072763
-    0SOL     H3    3   0.064052   0.000915   0.007884
-    1SOL     O4    4  -0.111150  -0.038071  -0.077416
-    1SOL     H5    5  -0.163425  -0.012815  -0.001312
-    1SOL     H6    6  -0.109389  -0.133734  -0.074645
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083696   0.092326   0.071391
-    0SOL     H2    2   0.061003   0.125179   0.158385
-    0SOL     H3    3   0.007157   0.041721   0.044129
-    1SOL     O4    4  -0.078010  -0.094687  -0.068504
-    1SOL     H5    5  -0.005515  -0.080422  -0.129358
-    1SOL     H6    6  -0.154203  -0.057290  -0.112758
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121023  -0.062428  -0.019244
-    0SOL     H2    2   0.179097  -0.039141  -0.091683
-    0SOL     H3    3   0.098280  -0.154026  -0.035213
-    1SOL     O4    4  -0.127207   0.072551   0.026597
-    1SOL     H5    5  -0.032220   0.061099   0.023658
-    1SOL     H6    6  -0.162444  -0.012009  -0.001160
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028143   0.046242   0.138709
-    0SOL     H2    2  -0.106004   0.055226   0.083761
-    0SOL     H3    3   0.045197   0.051145   0.077395
-    1SOL     O4    4   0.028607  -0.048972  -0.124507
-    1SOL     H5    5   0.044479   0.037782  -0.161710
-    1SOL     H6    6   0.015155  -0.105583  -0.200511
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.049485   0.073848  -0.116698
-    0SOL     H2    2  -0.000372   0.013023  -0.062137
-    0SOL     H3    3   0.110274   0.018158  -0.165335
-    1SOL     O4    4  -0.048081  -0.062362   0.113449
-    1SOL     H5    5  -0.005503  -0.142796   0.143109
-    1SOL     H6    6  -0.136939  -0.067874   0.148609
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128588   0.053950   0.018670
-    0SOL     H2    2  -0.128902   0.149175   0.008946
-    0SOL     H3    3  -0.187595   0.022631  -0.049884
-    1SOL     O4    4   0.136906  -0.054820  -0.017774
-    1SOL     H5    5   0.118085  -0.138522   0.024677
-    1SOL     H6    6   0.057266  -0.003184  -0.005383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093070   0.064604   0.078902
-    0SOL     H2    2  -0.065672   0.155119   0.093689
-    0SOL     H3    3  -0.177372   0.057429   0.123667
-    1SOL     O4    4   0.095110  -0.067872  -0.088990
-    1SOL     H5    5   0.068185  -0.019106  -0.011148
-    1SOL     H6    6   0.145949  -0.141431  -0.054833
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.134162   0.007506   0.051516
-    0SOL     H2    2   0.104565   0.047295   0.133389
-    0SOL     H3    3   0.146497  -0.084984   0.072867
-    1SOL     O4    4  -0.139115  -0.002484  -0.055360
-    1SOL     H5    5  -0.054277  -0.005903  -0.011165
-    1SOL     H6    6  -0.121896  -0.036792  -0.143046
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090617  -0.103546  -0.022921
-    0SOL     H2    2   0.126549  -0.119964  -0.110109
-    0SOL     H3    3   0.160061  -0.130605   0.037141
-    1SOL     O4    4  -0.099165   0.111125   0.020352
-    1SOL     H5    5  -0.145011   0.032914   0.051067
-    1SOL     H6    6  -0.011292   0.103597   0.057554
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012967   0.123873  -0.069336
-    0SOL     H2    2   0.038957   0.107856  -0.148137
-    0SOL     H3    3  -0.102101   0.137126  -0.101612
-    1SOL     O4    4   0.011094  -0.124608   0.080324
-    1SOL     H5    5  -0.003208  -0.067905   0.004544
-    1SOL     H6    6   0.095783  -0.165998   0.063683
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027129   0.130533   0.051501
-    0SOL     H2    2  -0.014164   0.148629   0.144597
-    0SOL     H3    3   0.053144   0.161580   0.009612
-    1SOL     O4    4   0.019382  -0.134492  -0.061139
-    1SOL     H5    5   0.105288  -0.155782  -0.024681
-    1SOL     H6    6  -0.028329  -0.094548   0.011596
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.105773   0.086579   0.047255
-    0SOL     H2    2  -0.113410   0.101186   0.141545
-    0SOL     H3    3  -0.157758   0.007894   0.030872
-    1SOL     O4    4   0.107889  -0.086877  -0.045084
-    1SOL     H5    5   0.178132  -0.095461  -0.109540
-    1SOL     H6    6   0.051999  -0.017266  -0.079623
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043037   0.123010   0.065695
-    0SOL     H2    2  -0.030550   0.096096   0.120675
-    0SOL     H3    3   0.112848   0.144126   0.127686
-    1SOL     O4    4  -0.037238  -0.126560  -0.070481
-    1SOL     H5    5  -0.125674  -0.154791  -0.093814
-    1SOL     H6    6  -0.039952  -0.031116  -0.077225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017814   0.149261   0.035920
-    0SOL     H2    2   0.000593   0.055897   0.048121
-    0SOL     H3    3   0.028796   0.159486  -0.058617
-    1SOL     O4    4  -0.018233  -0.140708  -0.025938
-    1SOL     H5    5   0.054250  -0.199455  -0.047322
-    1SOL     H6    6  -0.076788  -0.146366  -0.101447
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108840   0.111046  -0.020381
-    0SOL     H2    2   0.072940   0.024529  -0.040087
-    0SOL     H3    3   0.044136   0.151245   0.037582
-    1SOL     O4    4  -0.096543  -0.107769   0.016279
-    1SOL     H5    5  -0.127247  -0.138200   0.101682
-    1SOL     H6    6  -0.176391  -0.083994  -0.030853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007371   0.001346  -0.143378
-    0SOL     H2    2  -0.084053  -0.023786  -0.194861
-    0SOL     H3    3   0.065995  -0.006085  -0.204407
-    1SOL     O4    4   0.013591   0.001979   0.152090
-    1SOL     H5    5  -0.073178   0.006319   0.192271
-    1SOL     H6    6  -0.002595  -0.030345   0.063459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014611  -0.146258  -0.025872
-    0SOL     H2    2   0.052839  -0.204274   0.009440
-    0SOL     H3    3   0.017735  -0.121836  -0.112587
-    1SOL     O4    4   0.005867   0.152981   0.029589
-    1SOL     H5    5   0.099758   0.151668   0.011013
-    1SOL     H6    6  -0.019246   0.060672   0.032847
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060883   0.013818   0.132506
-    0SOL     H2    2  -0.091186   0.024978   0.222615
-    0SOL     H3    3  -0.133786   0.044644   0.078679
-    1SOL     O4    4   0.062978  -0.012696  -0.139702
-    1SOL     H5    5   0.062348   0.005246  -0.045681
-    1SOL     H6    6   0.122845  -0.086725  -0.149607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024602   0.039444   0.152049
-    0SOL     H2    2   0.101718   0.036888   0.095401
-    0SOL     H3    3  -0.011729  -0.048976   0.147132
-    1SOL     O4    4  -0.030768  -0.033493  -0.142900
-    1SOL     H5    5   0.042376  -0.094625  -0.151568
-    1SOL     H6    6  -0.035178   0.010821  -0.227630
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.086827   0.132120   0.002201
-    0SOL     H2    2   0.029058   0.061773   0.031803
-    0SOL     H3    3   0.141099   0.152282   0.078426
-    1SOL     O4    4  -0.085576  -0.127464  -0.013731
-    1SOL     H5    5  -0.040187  -0.195704   0.035721
-    1SOL     H6    6  -0.152943  -0.095223   0.046140
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016995   0.152000   0.013287
-    0SOL     H2    2  -0.041659   0.237746   0.047951
-    0SOL     H3    3   0.059550   0.169373  -0.041496
-    1SOL     O4    4   0.018048  -0.160570  -0.016427
-    1SOL     H5    5   0.002002  -0.189033   0.073543
-    1SOL     H6    6  -0.040254  -0.085645  -0.028654
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127721  -0.033088  -0.088566
-    0SOL     H2    2  -0.177065  -0.095115  -0.142233
-    0SOL     H3    3  -0.037392  -0.064516  -0.092493
-    1SOL     O4    4   0.129940   0.037491   0.088161
-    1SOL     H5    5   0.080569   0.118230   0.102513
-    1SOL     H6    6   0.089548  -0.026148   0.147160
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054034  -0.042958   0.143109
-    0SOL     H2    2  -0.135250   0.005603   0.157533
-    0SOL     H3    3   0.012147   0.005879   0.192071
-    1SOL     O4    4   0.060151   0.039108  -0.142503
-    1SOL     H5    5  -0.028288   0.007569  -0.123901
-    1SOL     H6    6   0.066547   0.037684  -0.237998
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098860  -0.140792   0.022916
-    0SOL     H2    2  -0.050647  -0.139353   0.105595
-    0SOL     H3    3  -0.051195  -0.080106  -0.033720
-    1SOL     O4    4   0.087151   0.133196  -0.024963
-    1SOL     H5    5   0.151473   0.145256  -0.094817
-    1SOL     H6    6   0.121927   0.183552   0.048638
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105316  -0.119070   0.038321
-    0SOL     H2    2   0.195904  -0.124547   0.068752
-    0SOL     H3    3   0.058555  -0.184478   0.090259
-    1SOL     O4    4  -0.111239   0.124244  -0.049028
-    1SOL     H5    5  -0.018051   0.107204  -0.035324
-    1SOL     H6    6  -0.148337   0.127096   0.039165
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.147087   0.082727  -0.037205
-    0SOL     H2    2   0.096255   0.076984  -0.118108
-    0SOL     H3    3   0.192460  -0.001353  -0.031351
-    1SOL     O4    4  -0.147042  -0.074419   0.046697
-    1SOL     H5    5  -0.214769  -0.131089   0.009767
-    1SOL     H6    6  -0.072624  -0.084100  -0.012721
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029393   0.157908  -0.047247
-    0SOL     H2    2   0.027852   0.198948  -0.133709
-    0SOL     H3    3   0.120974   0.163035  -0.019878
-    1SOL     O4    4  -0.035704  -0.166175   0.055053
-    1SOL     H5    5  -0.098504  -0.099604   0.027003
-    1SOL     H6    6   0.046163  -0.141608   0.011966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.151266   0.021278  -0.078421
-    0SOL     H2    2   0.083866   0.086916  -0.096065
-    0SOL     H3    3   0.170054  -0.017414  -0.163932
-    1SOL     O4    4  -0.149639  -0.027929   0.089630
-    1SOL     H5    5  -0.214268   0.017435   0.035523
-    1SOL     H6    6  -0.065600   0.009306   0.062923
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033768  -0.164742   0.031049
-    0SOL     H2    2  -0.098895  -0.234223   0.021395
-    0SOL     H3    3  -0.067600  -0.109791   0.101746
-    1SOL     O4    4   0.043432   0.169838  -0.036635
-    1SOL     H5    5  -0.046484   0.152974  -0.064793
-    1SOL     H6    6   0.057805   0.108744   0.035638
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137266  -0.036052  -0.106980
-    0SOL     H2    2   0.072800  -0.105379  -0.092831
-    0SOL     H3    3   0.114088   0.001281  -0.192017
-    1SOL     O4    4  -0.132789   0.036442   0.104154
-    1SOL     H5    5  -0.200207   0.009098   0.166360
-    1SOL     H6    6  -0.067224   0.080945   0.157848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083482  -0.111996  -0.110489
-    0SOL     H2    2  -0.019220  -0.151806  -0.051771
-    0SOL     H3    3  -0.136875  -0.185378  -0.140928
-    1SOL     O4    4   0.078768   0.115086   0.113261
-    1SOL     H5    5   0.153808   0.075585   0.068864
-    1SOL     H6    6   0.079876   0.206656   0.085404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080351  -0.124976  -0.110641
-    0SOL     H2    2  -0.151587  -0.154965  -0.054175
-    0SOL     H3    3  -0.056618  -0.039059  -0.075752
-    1SOL     O4    4   0.080755   0.116854   0.103818
-    1SOL     H5    5   0.096037   0.147356   0.193252
-    1SOL     H6    6   0.109127   0.189613   0.048469
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017660   0.183739  -0.019193
-    0SOL     H2    2   0.036652   0.262515  -0.070143
-    0SOL     H3    3   0.065595   0.114045  -0.063995
-    1SOL     O4    4  -0.022129  -0.182952   0.017626
-    1SOL     H5    5  -0.033166  -0.266767   0.062521
-    1SOL     H6    6   0.001188  -0.121393   0.087118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095087  -0.030496  -0.152988
-    0SOL     H2    2   0.122320   0.025798  -0.225456
-    0SOL     H3    3   0.084269  -0.116988  -0.192541
-    1SOL     O4    4  -0.090537   0.032801   0.156481
-    1SOL     H5    5  -0.117709  -0.027347   0.225809
-    1SOL     H6    6  -0.169617   0.082454   0.135430
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161583   0.009272   0.103333
-    0SOL     H2    2  -0.171084  -0.027116   0.015311
-    0SOL     H3    3  -0.195083   0.098646   0.096100
-    1SOL     O4    4   0.167093  -0.017041  -0.097675
-    1SOL     H5    5   0.195863   0.066680  -0.134080
-    1SOL     H6    6   0.075882  -0.002269  -0.072683
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128128  -0.076836  -0.126704
-    0SOL     H2    2  -0.052887  -0.033821  -0.086075
-    0SOL     H3    3  -0.202077  -0.019251  -0.107265
-    1SOL     O4    4   0.133976   0.066590   0.120975
-    1SOL     H5    5   0.045315   0.040453   0.145842
-    1SOL     H6    6   0.134727   0.161749   0.131295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057354  -0.163957  -0.074192
-    0SOL     H2    2   0.118353  -0.165306  -0.147947
-    0SOL     H3    3   0.033496  -0.255727  -0.061100
-    1SOL     O4    4  -0.054257   0.173540   0.080712
-    1SOL     H5    5  -0.139885   0.200312   0.047342
-    1SOL     H6    6  -0.052046   0.078720   0.067804
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084274   0.165234  -0.068115
-    0SOL     H2    2  -0.009378   0.184441  -0.063357
-    0SOL     H3    3   0.098791   0.138938  -0.159001
-    1SOL     O4    4  -0.078523  -0.159276   0.069301
-    1SOL     H5    5  -0.160609  -0.196313   0.101742
-    1SOL     H6    6  -0.010798  -0.218099   0.102701
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096505  -0.151670  -0.096008
-    0SOL     H2    2  -0.053413  -0.126262  -0.014400
-    0SOL     H3    3  -0.087720  -0.075017  -0.152661
-    1SOL     O4    4   0.094551   0.149419   0.088607
-    1SOL     H5    5   0.033034   0.168298   0.159470
-    1SOL     H6    6   0.143159   0.072697   0.118826
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.178240  -0.034546  -0.067379
-    0SOL     H2    2  -0.188874  -0.084642  -0.148247
-    0SOL     H3    3  -0.216843  -0.089977   0.000441
-    1SOL     O4    4   0.185620   0.044454   0.070714
-    1SOL     H5    5   0.090962   0.044887   0.084926
-    1SOL     H6    6   0.199297  -0.020944   0.002170
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012118   0.124912   0.159333
-    0SOL     H2    2   0.028546   0.066084   0.085633
-    0SOL     H3    3   0.066812   0.201441   0.141608
-    1SOL     O4    4  -0.019464  -0.122968  -0.149667
-    1SOL     H5    5   0.020816  -0.209792  -0.148410
-    1SOL     H6    6   0.002207  -0.087706  -0.235976
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003361   0.122810   0.167599
-    0SOL     H2    2  -0.066327   0.082146   0.219100
-    0SOL     H3    3  -0.042573   0.179148   0.105322
-    1SOL     O4    4   0.007541  -0.123139  -0.170943
-    1SOL     H5    5  -0.033413  -0.204941  -0.142774
-    1SOL     H6    6  -0.031571  -0.056160  -0.114851
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063118  -0.016908   0.199145
-    0SOL     H2    2  -0.079638  -0.020005   0.104912
-    0SOL     H3    3  -0.149489  -0.027531   0.239014
-    1SOL     O4    4   0.061717   0.018806  -0.197401
-    1SOL     H5    5   0.102954  -0.028700  -0.125255
-    1SOL     H6    6   0.134813   0.047442  -0.252166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006441   0.157937   0.135134
-    0SOL     H2    2  -0.037712   0.181737   0.047853
-    0SOL     H3    3  -0.052113   0.217873   0.194160
-    1SOL     O4    4   0.012553  -0.156587  -0.131367
-    1SOL     H5    5  -0.069029  -0.182603  -0.174144
-    1SOL     H6    6   0.063351  -0.237492  -0.125341
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.172188  -0.050176   0.107266
-    0SOL     H2    2   0.153310  -0.141917   0.087528
-    0SOL     H3    3   0.263681  -0.050015   0.135396
-    1SOL     O4    4  -0.178115   0.057985  -0.112031
-    1SOL     H5    5  -0.132933   0.090641  -0.034221
-    1SOL     H6    6  -0.178617  -0.037135  -0.101341
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.170545   0.083749   0.115929
-    0SOL     H2    2   0.259334   0.049101   0.124778
-    0SOL     H3    3   0.132671   0.034410   0.043173
-    1SOL     O4    4  -0.170909  -0.084724  -0.110211
-    1SOL     H5    5  -0.251915  -0.041075  -0.083847
-    1SOL     H6    6  -0.136344  -0.030418  -0.181052
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031908   0.072813  -0.217639
-    0SOL     H2    2   0.075500  -0.001189  -0.175382
-    0SOL     H3    3   0.008300   0.131138  -0.145506
-    1SOL     O4    4  -0.037493  -0.075840   0.211637
-    1SOL     H5    5   0.048893  -0.096520   0.175970
-    1SOL     H6    6  -0.035782   0.018890   0.225262
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.223343   0.023191   0.018946
-    0SOL     H2    2  -0.239851   0.103502   0.068341
-    0SOL     H3    3  -0.261677  -0.046248   0.072529
-    1SOL     O4    4   0.225036  -0.017678  -0.026774
-    1SOL     H5    5   0.304373  -0.060546   0.005324
-    1SOL     H6    6   0.153728  -0.075011   0.001341
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.086443  -0.049348   0.208001
-    0SOL     H2    2   0.099013  -0.052608   0.302837
-    0SOL     H3    3  -0.007321  -0.064152   0.195698
-    1SOL     O4    4  -0.081457   0.055873  -0.217543
-    1SOL     H5    5  -0.016737  -0.010644  -0.194110
-    1SOL     H6    6  -0.155877   0.038281  -0.159972
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080071   0.013665  -0.215249
-    0SOL     H2    2  -0.087285   0.059023  -0.299230
-    0SOL     H3    3  -0.117813  -0.072812  -0.231360
-    1SOL     O4    4   0.076031  -0.009453   0.219150
-    1SOL     H5    5   0.155876   0.021884   0.176663
-    1SOL     H6    6   0.105875  -0.078425   0.278433
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.181166  -0.084355  -0.112669
-    0SOL     H2    2   0.216132  -0.173417  -0.109904
-    0SOL     H3    3   0.241088  -0.036824  -0.170222
-    1SOL     O4    4  -0.183327   0.087037   0.121228
-    1SOL     H5    5  -0.241452   0.149850   0.078352
-    1SOL     H6    6  -0.173704   0.016041   0.057752
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.138833   0.026314  -0.196854
-    0SOL     H2    2   0.141308  -0.044830  -0.132864
-    0SOL     H3    3   0.230443   0.051687  -0.208086
-    1SOL     O4    4  -0.147774  -0.028316   0.197570
-    1SOL     H5    5  -0.173588   0.016989   0.117298
-    1SOL     H6    6  -0.058879   0.002584   0.215039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161665   0.125352   0.149118
-    0SOL     H2    2  -0.114307   0.117091   0.066346
-    0SOL     H3    3  -0.238480   0.069233   0.138523
-    1SOL     O4    4   0.160935  -0.115040  -0.145166
-    1SOL     H5    5   0.119254  -0.176665  -0.084937
-    1SOL     H6    6   0.237693  -0.161825  -0.178054
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080688   0.227310  -0.085445
-    0SOL     H2    2   0.018253   0.275085  -0.140050
-    0SOL     H3    3   0.077275   0.271648  -0.000682
-    1SOL     O4    4  -0.078410  -0.236431   0.088764
-    1SOL     H5    5   0.008409  -0.215521   0.054302
-    1SOL     H6    6  -0.138994  -0.190197   0.030848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.093182   0.056443   0.231316
-    0SOL     H2    2   0.028307   0.074942   0.299222
-    0SOL     H3    3   0.166337   0.114787   0.251483
-    1SOL     O4    4  -0.095553  -0.061748  -0.230719
-    1SOL     H5    5  -0.141396  -0.041796  -0.312344
-    1SOL     H6    6  -0.003184  -0.065926  -0.255474
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.185643   0.120948  -0.171866
-    0SOL     H2    2  -0.092643   0.101035  -0.182670
-    0SOL     H3    3  -0.209276   0.168986  -0.251214
-    1SOL     O4    4   0.180588  -0.117416   0.174028
-    1SOL     H5    5   0.260571  -0.136273   0.223114
-    1SOL     H6    6   0.130202  -0.198699   0.178105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.152399  -0.159452   0.190305
-    0SOL     H2    2  -0.159226  -0.210344   0.109523
-    0SOL     H3    3  -0.094774  -0.086396   0.167846
-    1SOL     O4    4   0.146070   0.152720  -0.182209
-    1SOL     H5    5   0.235975   0.178909  -0.162372
-    1SOL     H6    6   0.109220   0.227336  -0.229505
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002873  -0.291049   0.041406
-    0SOL     H2    2  -0.020043  -0.259361  -0.045961
-    0SOL     H3    3   0.080062  -0.240044   0.065954
-    1SOL     O4    4  -0.007873   0.289628  -0.033224
-    1SOL     H5    5   0.024699   0.200848  -0.048040
-    1SOL     H6    6  -0.007646   0.330066  -0.119982
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.191030   0.028905   0.265141
-    0SOL     H2    2   0.113703   0.084736   0.273254
-    0SOL     H3    3   0.257769   0.085774   0.226747
-    1SOL     O4    4  -0.192412  -0.032372  -0.269318
-    1SOL     H5    5  -0.107135  -0.059636  -0.235453
-    1SOL     H6    6  -0.254149  -0.054687  -0.199655
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153093   0.182578  -0.240132
-    0SOL     H2    2   0.185854   0.114652  -0.181182
-    0SOL     H3    3   0.077762   0.219832  -0.194309
-    1SOL     O4    4  -0.149421  -0.173982   0.236422
-    1SOL     H5    5  -0.235604  -0.215601   0.238061
-    1SOL     H6    6  -0.089569  -0.243775   0.209796
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.348063   0.112915  -0.190591
-    0SOL     H2    2  -0.383395   0.047139  -0.250487
-    0SOL     H3    3  -0.340875   0.192274  -0.243628
-    1SOL     O4    4   0.355869  -0.112623   0.196789
-    1SOL     H5    5   0.290598  -0.050821   0.163887
-    1SOL     H6    6   0.304751  -0.187715   0.226964
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.180549   0.146671   0.353191
-    0SOL     H2    2  -0.207115   0.227633   0.396800
-    0SOL     H3    3  -0.178393   0.169112   0.260164
-    1SOL     O4    4   0.179033  -0.152652  -0.344746
-    1SOL     H5    5   0.214531  -0.069117  -0.375146
-    1SOL     H6    6   0.190921  -0.212146  -0.418783
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-    6
-    0SOL     O1    1  -0.155818   0.095470  -0.393853
-    0SOL     H2    2  -0.131152   0.059547  -0.479079
-    0SOL     H3    3  -0.237477   0.142592  -0.410396
-    1SOL     O4    4   0.156006  -0.090412   0.398600
-    1SOL     H5    5   0.250383  -0.105369   0.392962
-    1SOL     H6    6   0.119209  -0.176512   0.418478
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.378803   0.151623   0.165158
-    0SOL     H2    2   0.469804   0.126825   0.181472
-    0SOL     H3    3   0.328173   0.099398   0.227379
-    1SOL     O4    4  -0.384086  -0.151675  -0.167336
-    1SOL     H5    5  -0.302289  -0.157551  -0.216703
-    1SOL     H6    6  -0.404350  -0.058143  -0.165512
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.210870   0.301609  -0.291356
-    0SOL     H2    2  -0.150724   0.282316  -0.219436
-    0SOL     H3    3  -0.281803   0.238178  -0.280991
-    1SOL     O4    4   0.216873  -0.299009   0.291142
-    1SOL     H5    5   0.205811  -0.232911   0.222797
-    1SOL     H6    6   0.132036  -0.343086   0.295856
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135160  -0.308350  -0.384014
-    0SOL     H2    2  -0.076519  -0.245133  -0.425573
-    0SOL     H3    3  -0.082878  -0.347002  -0.313765
-    1SOL     O4    4   0.128770   0.309552   0.375722
-    1SOL     H5    5   0.053621   0.297348   0.433739
-    1SOL     H6    6   0.203567   0.277850   0.426345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.378195  -0.194272   0.283278
-    0SOL     H2    2   0.338424  -0.109732   0.304100
-    0SOL     H3    3   0.472334  -0.179309   0.292007
-    1SOL     O4    4  -0.375376   0.187972  -0.287137
-    1SOL     H5    5  -0.424285   0.140157  -0.220174
-    1SOL     H6    6  -0.428644   0.265464  -0.305016
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.354155   0.368960   0.005282
-    0SOL     H2    2  -0.317360   0.456507   0.017282
-    0SOL     H3    3  -0.410644   0.356020   0.081465
-    1SOL     O4    4   0.349242  -0.371008  -0.008105
-    1SOL     H5    5   0.423538  -0.315339  -0.031416
-    1SOL     H6    6   0.380542  -0.460246  -0.022913
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.511802  -0.186939  -0.128127
-    0SOL     H2    2   0.516592  -0.241953  -0.049942
-    0SOL     H3    3   0.459772  -0.111282  -0.101085
-    1SOL     O4    4  -0.513514   0.190963   0.120339
-    1SOL     H5    5  -0.500020   0.107324   0.075789
-    1SOL     H6    6  -0.453590   0.188363   0.194935
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.408900  -0.174781   0.437517
-    0SOL     H2    2   0.429921  -0.161857   0.530001
-    0SOL     H3    3   0.450502  -0.101011   0.392913
-    1SOL     O4    4  -0.415715   0.168439  -0.434982
-    1SOL     H5    5  -0.327499   0.205591  -0.434873
-    1SOL     H6    6  -0.439876   0.164247  -0.527508
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.418509  -0.466732  -0.221657
-    0SOL     H2    2   0.419480  -0.505635  -0.309110
-    0SOL     H3    3   0.337436  -0.498703  -0.182067
-    1SOL     O4    4  -0.414085   0.475196   0.220874
-    1SOL     H5    5  -0.433557   0.474345   0.314589
-    1SOL     H6    6  -0.392701   0.384264   0.199980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.297172  -0.416689  -0.543035
-    0SOL     H2    2   0.319375  -0.496477  -0.591027
-    0SOL     H3    3   0.363641  -0.410671  -0.474421
-    1SOL     O4    4  -0.303379   0.417488   0.546513
-    1SOL     H5    5  -0.335825   0.406607   0.457120
-    1SOL     H6    6  -0.261140   0.503384   0.546425
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.655570   0.277173  -0.335240
-    0SOL     H2    2  -0.586485   0.231981  -0.286791
-    0SOL     H3    3  -0.616826   0.361291  -0.359435
-    1SOL     O4    4   0.644710  -0.282165   0.334358
-    1SOL     H5    5   0.656463  -0.192190   0.303882
-    1SOL     H6    6   0.732839  -0.311278   0.357768
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.796455   0.318578   0.526544
-    0SOL     H2    2   0.777618   0.241672   0.472758
-    0SOL     H3    3   0.891885   0.325918   0.525336
-    1SOL     O4    4  -0.802070  -0.314657  -0.517194
-    1SOL     H5    5  -0.851119  -0.368036  -0.579702
-    1SOL     H6    6  -0.738530  -0.267221  -0.570812
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085158   0.013912   0.085985
-    0SOL     H2    2  -0.135787   0.074687   0.139887
-    0SOL     H3    3  -0.137395  -0.066287   0.084727
-    1SOL     O4    4   0.097035  -0.015755  -0.086166
-    1SOL     H5    5   0.070466  -0.009242  -0.177893
-    1SOL     H6    6   0.023966   0.022094  -0.037271
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113202   0.001862   0.066633
-    0SOL     H2    2   0.022211  -0.027428   0.061614
-    0SOL     H3    3   0.118126   0.050935   0.148670
-    1SOL     O4    4  -0.110605  -0.007522  -0.066418
-    1SOL     H5    5  -0.050610  -0.003009  -0.140867
-    1SOL     H6    6  -0.144964   0.081408  -0.057860
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097600   0.079811   0.014400
-    0SOL     H2    2   0.173802   0.084998  -0.043294
-    0SOL     H3    3   0.045999   0.157553  -0.006949
-    1SOL     O4    4  -0.105516  -0.084540  -0.008913
-    1SOL     H5    5  -0.050899  -0.006054  -0.004531
-    1SOL     H6    6  -0.047638  -0.152114  -0.044214
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016329   0.077490   0.100108
-    0SOL     H2    2  -0.083359   0.028885   0.148138
-    0SOL     H3    3   0.053081   0.092461   0.164299
-    1SOL     O4    4   0.018618  -0.072532  -0.112319
-    1SOL     H5    5   0.017676  -0.033749  -0.024813
-    1SOL     H6    6  -0.019088  -0.159694  -0.100346
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101075   0.017185   0.082703
-    0SOL     H2    2   0.183902  -0.024699   0.059301
-    0SOL     H3    3   0.096613   0.094580   0.026555
-    1SOL     O4    4  -0.110115  -0.014740  -0.076593
-    1SOL     H5    5  -0.038697  -0.043041  -0.019488
-    1SOL     H6    6  -0.098518  -0.065883  -0.156670
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102229  -0.056844   0.057084
-    0SOL     H2    2  -0.125433  -0.143351   0.023315
-    0SOL     H3    3  -0.053734  -0.074745   0.137645
-    1SOL     O4    4   0.101883   0.065951  -0.066078
-    1SOL     H5    5   0.024369   0.015323  -0.041773
-    1SOL     H6    6   0.159643   0.059399   0.009970
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050472  -0.106388  -0.067888
-    0SOL     H2    2  -0.145604  -0.116909  -0.069145
-    0SOL     H3    3  -0.036860  -0.011819  -0.062083
-    1SOL     O4    4   0.054367   0.098814   0.073626
-    1SOL     H5    5   0.117684   0.074290   0.006157
-    1SOL     H6    6   0.007916   0.173954   0.036768
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060761   0.001733  -0.127947
-    0SOL     H2    2  -0.142672  -0.043917  -0.108734
-    0SOL     H3    3  -0.010500  -0.003928  -0.046682
-    1SOL     O4    4   0.063006  -0.001579   0.116541
-    1SOL     H5    5   0.039900  -0.046458   0.197870
-    1SOL     H6    6   0.075571   0.089759   0.142268
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014680  -0.142967   0.004185
-    0SOL     H2    2   0.006219  -0.047711   0.000073
-    0SOL     H3    3   0.103506  -0.157793   0.036626
-    1SOL     O4    4  -0.014724   0.133272  -0.004857
-    1SOL     H5    5  -0.029588   0.179955  -0.087089
-    1SOL     H6    6  -0.078607   0.170645   0.055842
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063606   0.025098  -0.126877
-    0SOL     H2    2   0.026116   0.010550  -0.040014
-    0SOL     H3    3  -0.007479   0.064565  -0.177392
-    1SOL     O4    4  -0.051319  -0.031698   0.123820
-    1SOL     H5    5  -0.145096  -0.047980   0.113661
-    1SOL     H6    6  -0.045548   0.060493   0.148918
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103712  -0.045137   0.094460
-    0SOL     H2    2  -0.043575  -0.022309   0.165345
-    0SOL     H3    3  -0.067174  -0.002061   0.017183
-    1SOL     O4    4   0.091345   0.043915  -0.093007
-    1SOL     H5    5   0.142187  -0.019613  -0.042592
-    1SOL     H6    6   0.149471   0.069860  -0.164495
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039228   0.026579  -0.136413
-    0SOL     H2    2   0.005500  -0.000975  -0.056397
-    0SOL     H3    3   0.030778   0.058925  -0.193116
-    1SOL     O4    4   0.031668  -0.032900   0.132297
-    1SOL     H5    5  -0.027782   0.040467   0.147958
-    1SOL     H6    6   0.115657  -0.003722   0.167748
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112849   0.089215   0.013866
-    0SOL     H2    2   0.059910   0.013115   0.037713
-    0SOL     H3    3   0.152294   0.117783   0.096270
-    1SOL     O4    4  -0.113230  -0.084031  -0.014680
-    1SOL     H5    5  -0.078214  -0.171170  -0.033205
-    1SOL     H6    6  -0.125113  -0.044122  -0.100868
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.081463   0.115072  -0.045482
-    0SOL     H2    2  -0.009495   0.059188  -0.016157
-    0SOL     H3    3  -0.160123   0.073252  -0.010469
-    1SOL     O4    4   0.082422  -0.102520   0.039948
-    1SOL     H5    5   0.057298  -0.142010   0.123445
-    1SOL     H6    6   0.101563  -0.177010  -0.017035
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117076  -0.044917   0.064865
-    0SOL     H2    2   0.098161   0.017612   0.134827
-    0SOL     H3    3   0.196381  -0.011117   0.023262
-    1SOL     O4    4  -0.119645   0.044598  -0.069147
-    1SOL     H5    5  -0.204832   0.006443  -0.047941
-    1SOL     H6    6  -0.056518  -0.023911  -0.047152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123833  -0.061105  -0.007356
-    0SOL     H2    2   0.155616  -0.021858  -0.088669
-    0SOL     H3    3   0.199930  -0.060962   0.050708
-    1SOL     O4    4  -0.135427   0.060111   0.012051
-    1SOL     H5    5  -0.074134  -0.010159   0.033677
-    1SOL     H6    6  -0.100557   0.098450  -0.068426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.048133   0.118087  -0.066889
-    0SOL     H2    2   0.111515   0.068407  -0.118629
-    0SOL     H3    3  -0.030158   0.121674  -0.121842
-    1SOL     O4    4  -0.047767  -0.115693   0.079140
-    1SOL     H5    5  -0.031582  -0.042746   0.019315
-    1SOL     H6    6  -0.054510  -0.192361   0.022228
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.069449  -0.104382  -0.057636
-    0SOL     H2    2  -0.034510  -0.191342  -0.038155
-    0SOL     H3    3  -0.135351  -0.119617  -0.125364
-    1SOL     O4    4   0.072694   0.113322   0.055060
-    1SOL     H5    5   0.100725   0.129497   0.145144
-    1SOL     H6    6   0.013898   0.038053   0.061370
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098299   0.101795   0.040436
-    0SOL     H2    2  -0.190843   0.081656   0.026569
-    0SOL     H3    3  -0.051555   0.027968   0.001359
-    1SOL     O4    4   0.103332  -0.090439  -0.041004
-    1SOL     H5    5   0.125081  -0.114178   0.049139
-    1SOL     H6    6   0.047083  -0.161567  -0.071648
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063500  -0.126650  -0.030584
-    0SOL     H2    2  -0.152794  -0.145802  -0.001912
-    0SOL     H3    3  -0.072501  -0.050488  -0.087861
-    1SOL     O4    4   0.067461   0.129033   0.028816
-    1SOL     H5    5   0.143810   0.102761   0.080225
-    1SOL     H6    6   0.006732   0.055470   0.036729
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.133549  -0.045749   0.053037
-    0SOL     H2    2  -0.158189  -0.107679  -0.015664
-    0SOL     H3    3  -0.045714  -0.016550   0.028650
-    1SOL     O4    4   0.122568   0.044550  -0.049039
-    1SOL     H5    5   0.149236   0.136469  -0.047557
-    1SOL     H6    6   0.201484  -0.003732  -0.024474
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.138963   0.014093  -0.050358
-    0SOL     H2    2   0.132500  -0.080296  -0.035821
-    0SOL     H3    3   0.148826   0.051255   0.037300
-    1SOL     O4    4  -0.145415  -0.011790   0.042952
-    1SOL     H5    5  -0.109605   0.047087   0.109386
-    1SOL     H6    6  -0.069541  -0.060221   0.010397
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051852  -0.033518  -0.128093
-    0SOL     H2    2  -0.141043  -0.038071  -0.093647
-    0SOL     H3    3  -0.049983  -0.098328  -0.198510
-    1SOL     O4    4   0.060359   0.034781   0.135064
-    1SOL     H5    5   0.031424   0.125904   0.130398
-    1SOL     H6    6   0.025983  -0.005429   0.055291
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006192  -0.062156  -0.130064
-    0SOL     H2    2  -0.012144   0.015721  -0.185400
-    0SOL     H3    3   0.080968  -0.097554  -0.147744
-    1SOL     O4    4  -0.000583   0.055999   0.138987
-    1SOL     H5    5   0.005334   0.037183   0.045321
-    1SOL     H6    6   0.032195   0.145518   0.147600
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-    6
-    0SOL     O1    1   0.116411   0.063881  -0.048973
-    0SOL     H2    2   0.117262   0.113302  -0.130943
-    0SOL     H3    3   0.190429   0.098643   0.000779
-    1SOL     O4    4  -0.127852  -0.068495   0.052253
-    1SOL     H5    5  -0.086467  -0.070673  -0.034031
-    1SOL     H6    6  -0.054689  -0.065237   0.113887
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083889   0.055763  -0.104169
-    0SOL     H2    2  -0.053231   0.105686  -0.179866
-    0SOL     H3    3  -0.112048   0.122278  -0.041359
-    1SOL     O4    4   0.082518  -0.063153   0.111442
-    1SOL     H5    5   0.017918  -0.071388   0.041289
-    1SOL     H6    6   0.163287  -0.037702   0.066823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106638  -0.027315   0.096894
-    0SOL     H2    2  -0.133534   0.051993   0.143255
-    0SOL     H3    3  -0.175568  -0.041761   0.032069
-    1SOL     O4    4   0.113224   0.027872  -0.101289
-    1SOL     H5    5   0.126171   0.045936  -0.008185
-    1SOL     H6    6   0.087426  -0.064251  -0.104500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079934  -0.085439  -0.102752
-    0SOL     H2    2  -0.011279  -0.058722  -0.163867
-    0SOL     H3    3  -0.062877  -0.034307  -0.023651
-    1SOL     O4    4   0.074578   0.084071   0.095985
-    1SOL     H5    5   0.141150   0.020632   0.122553
-    1SOL     H6    6   0.016719   0.091355   0.171890
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.145850   0.032086  -0.039769
-    0SOL     H2    2   0.134310   0.118063  -0.080231
-    0SOL     H3    3   0.059033  -0.008051  -0.043521
-    1SOL     O4    4  -0.138327  -0.039601   0.046977
-    1SOL     H5    5  -0.165175  -0.053565  -0.043833
-    1SOL     H6    6  -0.139686   0.055466   0.058057
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015408   0.057355   0.138877
-    0SOL     H2    2  -0.058201   0.140211   0.160461
-    0SOL     H3    3   0.048115   0.080122   0.070989
-    1SOL     O4    4   0.020369  -0.065664  -0.138641
-    1SOL     H5    5  -0.034043   0.010859  -0.157238
-    1SOL     H6    6  -0.029604  -0.115502  -0.073979
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119613  -0.002679   0.093472
-    0SOL     H2    2  -0.093683  -0.018686   0.002732
-    0SOL     H3    3  -0.213317   0.016262   0.088669
-    1SOL     O4    4   0.120090   0.007513  -0.088523
-    1SOL     H5    5   0.202971  -0.003035  -0.041811
-    1SOL     H6    6   0.102051  -0.079026  -0.125236
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025518   0.090194  -0.111473
-    0SOL     H2    2  -0.008364   0.184351  -0.109873
-    0SOL     H3    3  -0.039656   0.069945  -0.203952
-    1SOL     O4    4   0.028742  -0.093812   0.121975
-    1SOL     H5    5  -0.012721  -0.170934   0.083305
-    1SOL     H6    6   0.009983  -0.023030   0.060328
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136481   0.041473  -0.067236
-    0SOL     H2    2  -0.055678   0.001148  -0.035501
-    0SOL     H3    3  -0.138746   0.127264  -0.024841
-    1SOL     O4    4   0.132842  -0.038076   0.063595
-    1SOL     H5    5   0.141180  -0.090638  -0.015967
-    1SOL     H6    6   0.105114  -0.100407   0.130740
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033095  -0.151766  -0.015555
-    0SOL     H2    2  -0.058679  -0.126796  -0.004773
-    0SOL     H3    3   0.073204  -0.132990   0.069304
-    1SOL     O4    4  -0.033673   0.153259   0.006850
-    1SOL     H5    5  -0.016987   0.156970   0.101031
-    1SOL     H6    6   0.015558   0.076890  -0.023255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122811   0.050349   0.081103
-    0SOL     H2    2  -0.063284   0.023454   0.011135
-    0SOL     H3    3  -0.182922  -0.023460   0.091166
-    1SOL     O4    4   0.117373  -0.048519  -0.077119
-    1SOL     H5    5   0.179198  -0.011318  -0.014221
-    1SOL     H6    6   0.153255  -0.025158  -0.162728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.115237  -0.021869   0.089797
-    0SOL     H2    2   0.115422  -0.089554   0.157480
-    0SOL     H3    3   0.171583   0.047169   0.124743
-    1SOL     O4    4  -0.117760   0.020932  -0.102122
-    1SOL     H5    5  -0.064153  -0.019764  -0.034060
-    1SOL     H6    6  -0.183320   0.071445  -0.054033
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076886  -0.075544   0.105779
-    0SOL     H2    2   0.063871  -0.167666   0.083272
-    0SOL     H3    3   0.170092  -0.060036   0.090470
-    1SOL     O4    4  -0.087327   0.078243  -0.104356
-    1SOL     H5    5  -0.044978   0.158519  -0.134763
-    1SOL     H6    6  -0.017896   0.030002  -0.059473
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148374   0.002801   0.039939
-    0SOL     H2    2   0.100862  -0.079664   0.050166
-    0SOL     H3    3   0.174793   0.026461   0.128847
-    1SOL     O4    4  -0.152959  -0.001301  -0.045345
-    1SOL     H5    5  -0.126501   0.073786  -0.098488
-    1SOL     H6    6  -0.071049  -0.035196  -0.009230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098434  -0.096035  -0.074838
-    0SOL     H2    2  -0.173606  -0.131388  -0.027281
-    0SOL     H3    3  -0.041054  -0.061245  -0.006578
-    1SOL     O4    4   0.098113   0.102786   0.066178
-    1SOL     H5    5   0.141920   0.038545   0.010353
-    1SOL     H6    6   0.083517   0.056766   0.148830
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072237   0.106020  -0.089759
-    0SOL     H2    2  -0.041944   0.021836  -0.055735
-    0SOL     H3    3  -0.094849   0.088269  -0.181061
-    1SOL     O4    4   0.067195  -0.102672   0.089903
-    1SOL     H5    5   0.156921  -0.081454   0.064186
-    1SOL     H6    6   0.060666  -0.073223   0.180746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082452   0.126345   0.000816
-    0SOL     H2    2  -0.144711   0.139387   0.072342
-    0SOL     H3    3  -0.136987   0.119791  -0.077576
-    1SOL     O4    4   0.090685  -0.133220  -0.001535
-    1SOL     H5    5   0.031701  -0.082030  -0.056878
-    1SOL     H6    6   0.114468  -0.073769   0.069614
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003292   0.024597  -0.154638
-    0SOL     H2    2   0.029840   0.092969  -0.212861
-    0SOL     H3    3   0.011420   0.058922  -0.066504
-    1SOL     O4    4   0.001818  -0.024227   0.152564
-    1SOL     H5    5   0.058752  -0.096051   0.180173
-    1SOL     H6    6  -0.079641  -0.066979   0.126124
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137618  -0.048954  -0.069458
-    0SOL     H2    2  -0.110660  -0.101796   0.005664
-    0SOL     H3    3  -0.197900   0.015775  -0.032872
-    1SOL     O4    4   0.138160   0.043434   0.065701
-    1SOL     H5    5   0.102504   0.066147  -0.020177
-    1SOL     H6    6   0.199492   0.114154   0.085690
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096462  -0.129200   0.042720
-    0SOL     H2    2  -0.070571  -0.069333  -0.027336
-    0SOL     H3    3  -0.116876  -0.072087   0.116772
-    1SOL     O4    4   0.097556   0.116925  -0.043244
-    1SOL     H5    5   0.039722   0.169434  -0.098564
-    1SOL     H6    6   0.130628   0.178502   0.022153
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.155771   0.045626  -0.038211
-    0SOL     H2    2  -0.064825   0.065601  -0.016027
-    0SOL     H3    3  -0.207387   0.094112   0.026188
-    1SOL     O4    4   0.151428  -0.050128   0.027195
-    1SOL     H5    5   0.237713  -0.031322   0.064122
-    1SOL     H6    6   0.093110  -0.053598   0.103019
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.141905   0.035632  -0.075442
-    0SOL     H2    2   0.111724   0.081309  -0.153960
-    0SOL     H3    3   0.139318  -0.057076  -0.099123
-    1SOL     O4    4  -0.140267  -0.038926   0.083174
-    1SOL     H5    5  -0.082546   0.031327   0.113094
-    1SOL     H6    6  -0.194414   0.001689   0.015492
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046570   0.140805   0.079030
-    0SOL     H2    2   0.118154   0.198695   0.052824
-    0SOL     H3    3   0.080744   0.052504   0.064979
-    1SOL     O4    4  -0.054739  -0.132538  -0.077789
-    1SOL     H5    5   0.028425  -0.165705  -0.043938
-    1SOL     H6    6  -0.106735  -0.211072  -0.094854
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005662  -0.038960  -0.164828
-    0SOL     H2    2   0.019253  -0.089237  -0.087279
-    0SOL     H3    3   0.059716  -0.062443  -0.230680
-    1SOL     O4    4  -0.004781   0.040555   0.169124
-    1SOL     H5    5   0.044365  -0.008579   0.103300
-    1SOL     H6    6   0.027571   0.130292   0.161194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084172   0.113636   0.099787
-    0SOL     H2    2   0.113694   0.109750   0.190758
-    0SOL     H3    3   0.117154   0.032878   0.060383
-    1SOL     O4    4  -0.093690  -0.109783  -0.099588
-    1SOL     H5    5  -0.029855  -0.168264  -0.140422
-    1SOL     H6    6  -0.060006  -0.021825  -0.116647
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.174354   0.028772   0.036408
-    0SOL     H2    2   0.137152  -0.059406   0.034693
-    0SOL     H3    3   0.106663   0.084139  -0.002512
-    1SOL     O4    4  -0.165615  -0.031232  -0.038001
-    1SOL     H5    5  -0.166661  -0.032365   0.057707
-    1SOL     H6    6  -0.214171   0.047811  -0.061598
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.087969   0.143882   0.067682
-    0SOL     H2    2   0.009351   0.125028   0.118927
-    0SOL     H3    3   0.055704   0.158614  -0.021224
-    1SOL     O4    4  -0.080395  -0.149353  -0.062122
-    1SOL     H5    5  -0.136968  -0.139349  -0.138684
-    1SOL     H6    6  -0.046797  -0.061290  -0.045438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076022  -0.126142  -0.103831
-    0SOL     H2    2   0.023331  -0.159853  -0.176285
-    0SOL     H3    3   0.076566  -0.031287  -0.116656
-    1SOL     O4    4  -0.074376   0.128871   0.109576
-    1SOL     H5    5   0.012073   0.088009   0.113964
-    1SOL     H6    6  -0.134149   0.056582   0.090504
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.100723   0.115294   0.104066
-    0SOL     H2    2   0.017893   0.090517   0.145146
-    0SOL     H3    3   0.154817   0.036527   0.109709
-    1SOL     O4    4  -0.101139  -0.110350  -0.113211
-    1SOL     H5    5  -0.034161  -0.153891  -0.060481
-    1SOL     H6    6  -0.130415  -0.037049  -0.059061
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079878   0.119695  -0.100645
-    0SOL     H2    2  -0.161319   0.136785  -0.053341
-    0SOL     H3    3  -0.076309   0.187904  -0.167705
-    1SOL     O4    4   0.078037  -0.125340   0.104006
-    1SOL     H5    5   0.107275  -0.099125   0.016712
-    1SOL     H6    6   0.158922  -0.141832   0.152461
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004971   0.002087  -0.175093
-    0SOL     H2    2  -0.089553  -0.021946  -0.212915
-    0SOL     H3    3   0.057996  -0.012983  -0.245594
-    1SOL     O4    4   0.007407  -0.002971   0.188361
-    1SOL     H5    5  -0.048658  -0.031540   0.116230
-    1SOL     H6    6   0.046547   0.078721   0.157431
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133290   0.027101   0.126101
-    0SOL     H2    2   0.209871   0.084463   0.128780
-    0SOL     H3    3   0.103625   0.030903   0.035174
-    1SOL     O4    4  -0.131899  -0.024957  -0.120259
-    1SOL     H5    5  -0.137284  -0.102884  -0.064936
-    1SOL     H6    6  -0.194613  -0.041175  -0.190731
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025154   0.174038   0.049589
-    0SOL     H2    2   0.021762   0.213304   0.123206
-    0SOL     H3    3  -0.116952   0.174378   0.076707
-    1SOL     O4    4   0.022415  -0.177746  -0.060499
-    1SOL     H5    5   0.047542  -0.231822   0.014380
-    1SOL     H6    6   0.067948  -0.094722  -0.046498
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122448  -0.026369  -0.132277
-    0SOL     H2    2   0.169436  -0.077568  -0.066451
-    0SOL     H3    3   0.163579  -0.050472  -0.215281
-    1SOL     O4    4  -0.132828   0.032299   0.129521
-    1SOL     H5    5  -0.120623  -0.051561   0.174027
-    1SOL     H6    6  -0.051555   0.080169   0.145817
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.166065   0.007169  -0.097536
-    0SOL     H2    2   0.115568   0.025123  -0.018227
-    0SOL     H3    3   0.183428   0.093527  -0.134995
-    1SOL     O4    4  -0.164676  -0.016756   0.090282
-    1SOL     H5    5  -0.174658   0.078241   0.084106
-    1SOL     H6    6  -0.145966  -0.032961   0.182746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125025  -0.025046   0.137602
-    0SOL     H2    2   0.205392  -0.004651   0.089773
-    0SOL     H3    3   0.120539   0.041350   0.206404
-    1SOL     O4    4  -0.129357   0.024563  -0.134707
-    1SOL     H5    5  -0.093254  -0.063654  -0.125954
-    1SOL     H6    6  -0.167242   0.026379  -0.222592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030420   0.160485   0.099420
-    0SOL     H2    2  -0.046376   0.206073   0.064978
-    0SOL     H3    3   0.014198   0.153864   0.193523
-    1SOL     O4    4  -0.029634  -0.159024  -0.104040
-    1SOL     H5    5   0.047097  -0.143294  -0.049019
-    1SOL     H6    6  -0.017772  -0.248161  -0.136848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091745   0.074602   0.159358
-    0SOL     H2    2  -0.088297   0.109967   0.248239
-    0SOL     H3    3  -0.027523   0.126112   0.110526
-    1SOL     O4    4   0.087513  -0.077839  -0.155020
-    1SOL     H5    5   0.024221  -0.072827  -0.226653
-    1SOL     H6    6   0.170458  -0.099236  -0.197737
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076397   0.052832  -0.178868
-    0SOL     H2    2   0.003007  -0.008214  -0.185905
-    0SOL     H3    3   0.153158   0.000950  -0.202917
-    1SOL     O4    4  -0.082781  -0.045749   0.179603
-    1SOL     H5    5  -0.034182  -0.121155   0.146219
-    1SOL     H6    6  -0.018150   0.004338   0.229367
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.170535   0.100614   0.049846
-    0SOL     H2    2  -0.145417   0.191163   0.031615
-    0SOL     H3    3  -0.165808   0.056824  -0.035139
-    1SOL     O4    4   0.168936  -0.107712  -0.049280
-    1SOL     H5    5   0.234824  -0.042124  -0.026495
-    1SOL     H6    6   0.100935  -0.097560   0.017317
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074869   0.154157  -0.108162
-    0SOL     H2    2  -0.079618   0.226375  -0.045517
-    0SOL     H3    3  -0.005701   0.179806  -0.169156
-    1SOL     O4    4   0.074359  -0.165532   0.108922
-    1SOL     H5    5   0.052054  -0.100024   0.175054
-    1SOL     H6    6   0.038357  -0.130570   0.027412
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.153928   0.147400  -0.039723
-    0SOL     H2    2  -0.090772   0.095523  -0.089547
-    0SOL     H3    3  -0.109943   0.165435   0.043358
-    1SOL     O4    4   0.149380  -0.150981   0.041350
-    1SOL     H5    5   0.214764  -0.091659   0.004361
-    1SOL     H6    6   0.065316  -0.112701   0.016247
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.115401   0.152124   0.105773
-    0SOL     H2    2   0.023397   0.132380   0.123317
-    0SOL     H3    3   0.151271   0.070459   0.071040
-    1SOL     O4    4  -0.117895  -0.145655  -0.102913
-    1SOL     H5    5  -0.048311  -0.194866  -0.059340
-    1SOL     H6    6  -0.079155  -0.117615  -0.185830
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065394   0.046988  -0.196412
-    0SOL     H2    2  -0.097350   0.109378  -0.261593
-    0SOL     H3    3   0.028089   0.066074  -0.188732
-    1SOL     O4    4   0.064245  -0.047191   0.196677
-    1SOL     H5    5   0.104725  -0.128074   0.228008
-    1SOL     H6    6  -0.026987  -0.053498   0.224949
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.178173   0.109902  -0.037333
-    0SOL     H2    2   0.186117   0.205245  -0.034356
-    0SOL     H3    3   0.244981   0.078342   0.023519
-    1SOL     O4    4  -0.179640  -0.110730   0.028902
-    1SOL     H5    5  -0.262203  -0.158905   0.023925
-    1SOL     H6    6  -0.154462  -0.115724   0.121116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.229707  -0.005998  -0.037273
-    0SOL     H2    2   0.178163   0.026215  -0.111219
-    0SOL     H3    3   0.165260  -0.022376   0.031580
-    1SOL     O4    4  -0.227465   0.002612   0.032402
-    1SOL     H5    5  -0.245623   0.036825   0.119936
-    1SOL     H6    6  -0.132168   0.006633   0.024356
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051826   0.151629  -0.159281
-    0SOL     H2    2  -0.147111   0.159324  -0.164174
-    0SOL     H3    3  -0.026573   0.210850  -0.088447
-    1SOL     O4    4   0.060550  -0.151765   0.154568
-    1SOL     H5    5   0.003369  -0.189685   0.087824
-    1SOL     H6    6   0.025321  -0.184050   0.237508
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001612   0.213019  -0.084669
-    0SOL     H2    2   0.034041   0.301982  -0.070656
-    0SOL     H3    3   0.048043   0.160062  -0.019846
-    1SOL     O4    4  -0.006644  -0.210085   0.085377
-    1SOL     H5    5  -0.062618  -0.231302   0.010683
-    1SOL     H6    6   0.065925  -0.272215   0.079399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128173  -0.037939  -0.186404
-    0SOL     H2    2  -0.150114   0.001051  -0.271025
-    0SOL     H3    3  -0.170242   0.019100  -0.122068
-    1SOL     O4    4   0.130055   0.026369   0.185139
-    1SOL     H5    5   0.081284   0.108431   0.178103
-    1SOL     H6    6   0.208641   0.049333   0.234731
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121802  -0.196524   0.054386
-    0SOL     H2    2   0.169148  -0.180457   0.136010
-    0SOL     H3    3   0.063553  -0.121127   0.045189
-    1SOL     O4    4  -0.127348   0.190846  -0.058874
-    1SOL     H5    5  -0.057540   0.144287  -0.012817
-    1SOL     H6    6  -0.086561   0.272323  -0.088205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153441  -0.199943   0.037488
-    0SOL     H2    2   0.178187  -0.217625  -0.053272
-    0SOL     H3    3   0.057783  -0.203409   0.037391
-    1SOL     O4    4  -0.146387   0.206007  -0.028750
-    1SOL     H5    5  -0.232128   0.199893  -0.070862
-    1SOL     H6    6  -0.103899   0.122560  -0.048591
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027116   0.146643  -0.203489
-    0SOL     H2    2   0.031992   0.238910  -0.228495
-    0SOL     H3    3  -0.065211   0.123738  -0.214145
-    1SOL     O4    4  -0.019258  -0.151936   0.212221
-    1SOL     H5    5  -0.042669  -0.070371   0.167934
-    1SOL     H6    6  -0.039370  -0.220471   0.148497
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019638  -0.221194  -0.137159
-    0SOL     H2    2   0.049363  -0.298751  -0.184737
-    0SOL     H3    3  -0.070321  -0.207760  -0.166979
-    1SOL     O4    4  -0.014290   0.222856   0.146937
-    1SOL     H5    5  -0.074320   0.294560   0.126509
-    1SOL     H6    6   0.010300   0.187100   0.061619
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.167873  -0.202452   0.101045
-    0SOL     H2    2   0.120543  -0.166518   0.176084
-    0SOL     H3    3   0.141229  -0.147523   0.027321
-    1SOL     O4    4  -0.157973   0.199983  -0.100956
-    1SOL     H5    5  -0.214105   0.186376  -0.177287
-    1SOL     H6    6  -0.208274   0.164663  -0.027575
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.175349  -0.234737  -0.033576
-    0SOL     H2    2   0.229247  -0.237945   0.045462
-    0SOL     H3    3   0.135241  -0.147844  -0.031761
-    1SOL     O4    4  -0.172798   0.232179   0.034407
-    1SOL     H5    5  -0.190983   0.282811  -0.044763
-    1SOL     H6    6  -0.212610   0.146709   0.017907
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039873   0.244535   0.148093
-    0SOL     H2    2   0.065304   0.282146   0.063826
-    0SOL     H3    3  -0.015227   0.311500   0.188614
-    1SOL     O4    4  -0.037310  -0.244065  -0.147514
-    1SOL     H5    5   0.023874  -0.297864  -0.097269
-    1SOL     H6    6  -0.112484  -0.301275  -0.162948
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.173454   0.162587  -0.181021
-    0SOL     H2    2   0.156796   0.165371  -0.086803
-    0SOL     H3    3   0.268008   0.175130  -0.189056
-    1SOL     O4    4  -0.174871  -0.168048   0.179666
-    1SOL     H5    5  -0.135836  -0.120484   0.106343
-    1SOL     H6    6  -0.263300  -0.132185   0.187183
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.172739  -0.061312   0.262326
-    0SOL     H2    2  -0.119486  -0.054658   0.341585
-    0SOL     H3    3  -0.159878   0.022374   0.217676
-    1SOL     O4    4   0.169532   0.057925  -0.271218
-    1SOL     H5    5   0.230376   0.004191  -0.220493
-    1SOL     H6    6   0.104784   0.087689  -0.207310
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041996  -0.275168  -0.231717
-    0SOL     H2    2  -0.036879  -0.182476  -0.208388
-    0SOL     H3    3  -0.089858  -0.315532  -0.159314
-    1SOL     O4    4   0.045093   0.266395   0.223748
-    1SOL     H5    5  -0.029617   0.325133   0.212318
-    1SOL     H6    6   0.103975   0.313632   0.282602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041100   0.193628  -0.301437
-    0SOL     H2    2  -0.114798   0.180670  -0.241745
-    0SOL     H3    3  -0.078121   0.242334  -0.375054
-    1SOL     O4    4   0.043824  -0.198571   0.297381
-    1SOL     H5    5   0.125642  -0.227291   0.337920
-    1SOL     H6    6   0.023213  -0.115853   0.340916
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.350134   0.067112  -0.238566
-    0SOL     H2    2  -0.434455   0.111298  -0.248560
-    0SOL     H3    3  -0.290968   0.114880  -0.296702
-    1SOL     O4    4   0.348129  -0.067240   0.239231
-    1SOL     H5    5   0.341039  -0.097185   0.329870
-    1SOL     H6    6   0.416544  -0.122242   0.201067
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.326284  -0.009251  -0.310937
-    0SOL     H2    2   0.281551   0.034939  -0.238767
-    0SOL     H3    3   0.414407  -0.026320  -0.277694
-    1SOL     O4    4  -0.334696   0.009232   0.305534
-    1SOL     H5    5  -0.261301   0.070580   0.308978
-    1SOL     H6    6  -0.293660  -0.076832   0.297085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.489412  -0.030814   0.369242
-    0SOL     H2    2   0.539014   0.050199   0.357461
-    0SOL     H3    3   0.398062  -0.002581   0.373759
-    1SOL     O4    4  -0.483615   0.020706  -0.372998
-    1SOL     H5    5  -0.558420   0.076288  -0.394842
-    1SOL     H6    6  -0.467511   0.037536  -0.280156
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.410761  -0.068435   0.521579
-    0SOL     H2    2  -0.461255  -0.043985   0.444024
-    0SOL     H3    3  -0.355384   0.007642   0.539128
-    1SOL     O4    4   0.405646   0.060719  -0.522387
-    1SOL     H5    5   0.395475   0.085137  -0.430394
-    1SOL     H6    6   0.498866   0.073005  -0.540313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.535188  -0.173581   0.436543
-    0SOL     H2    2  -0.609311  -0.231442   0.454435
-    0SOL     H3    3  -0.466356  -0.203721   0.495840
-    1SOL     O4    4   0.536568   0.178915  -0.435278
-    1SOL     H5    5   0.498727   0.250243  -0.486684
-    1SOL     H6    6   0.549790   0.108210  -0.498431
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.677144   0.392107   0.152700
-    0SOL     H2    2   0.706994   0.451431   0.221635
-    0SOL     H3    3   0.582055   0.402975   0.151199
-    1SOL     O4    4  -0.680290  -0.394468  -0.158340
-    1SOL     H5    5  -0.654892  -0.436261  -0.076057
-    1SOL     H6    6  -0.597317  -0.372705  -0.200815
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065184   0.090394  -0.054500
-    0SOL     H2    2   0.129938   0.068566   0.012528
-    0SOL     H3    3   0.112774   0.082835  -0.137207
-    1SOL     O4    4  -0.077912  -0.090052   0.055438
-    1SOL     H5    5  -0.032668  -0.042940  -0.014531
-    1SOL     H6    6  -0.008703  -0.113392   0.117306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.049002   0.013658  -0.123269
-    0SOL     H2    2   0.004851   0.008689  -0.038485
-    0SOL     H3    3   0.112015  -0.058380  -0.121771
-    1SOL     O4    4  -0.045091  -0.012720   0.112516
-    1SOL     H5    5  -0.131167   0.025167   0.094687
-    1SOL     H6    6  -0.028830   0.007000   0.204760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013560   0.106989   0.062207
-    0SOL     H2    2  -0.088336   0.143554   0.014944
-    0SOL     H3    3  -0.019416   0.145314   0.149724
-    1SOL     O4    4   0.021735  -0.116316  -0.065301
-    1SOL     H5    5  -0.040170  -0.081391  -0.129412
-    1SOL     H6    6   0.013817  -0.057815   0.010046
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001666   0.044758  -0.129419
-    0SOL     H2    2  -0.000479   0.026675  -0.035430
-    0SOL     H3    3   0.090280   0.040938  -0.155756
-    1SOL     O4    4  -0.006138  -0.043599   0.119552
-    1SOL     H5    5  -0.048804  -0.009328   0.198086
-    1SOL     H6    6   0.079031  -0.074762   0.150171
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074540   0.021866   0.103660
-    0SOL     H2    2  -0.034995  -0.030384   0.173435
-    0SOL     H3    3  -0.142319   0.073219   0.147605
-    1SOL     O4    4   0.078915  -0.023615  -0.115291
-    1SOL     H5    5   0.003504  -0.065653  -0.073960
-    1SOL     H6    6   0.099893   0.049958  -0.057765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094781  -0.074911  -0.050043
-    0SOL     H2    2  -0.124655  -0.080386  -0.140817
-    0SOL     H3    3  -0.078145  -0.165713  -0.024735
-    1SOL     O4    4   0.102296   0.080829   0.052358
-    1SOL     H5    5   0.045205   0.009441   0.023955
-    1SOL     H6    6   0.044801   0.139380   0.101638
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035746  -0.029879   0.123257
-    0SOL     H2    2  -0.065237   0.018108   0.200651
-    0SOL     H3    3  -0.108027  -0.089209   0.102820
-    1SOL     O4    4   0.039501   0.025435  -0.131027
-    1SOL     H5    5   0.003832   0.042591  -0.043873
-    1SOL     H6    6   0.108287   0.091064  -0.142152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059345   0.075489  -0.089172
-    0SOL     H2    2  -0.119873   0.135950  -0.132103
-    0SOL     H3    3  -0.000261   0.047112  -0.158930
-    1SOL     O4    4   0.062122  -0.082548   0.093420
-    1SOL     H5    5   0.036816  -0.070252   0.184911
-    1SOL     H6    6   0.036804  -0.000907   0.050337
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095657   0.092969  -0.013656
-    0SOL     H2    2   0.179947   0.089753   0.031591
-    0SOL     H3    3   0.046366   0.160990   0.032233
-    1SOL     O4    4  -0.098946  -0.103656   0.005902
-    1SOL     H5    5  -0.014993  -0.058623  -0.003388
-    1SOL     H6    6  -0.154678  -0.041191   0.052317
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.105162  -0.080264   0.014380
-    0SOL     H2    2  -0.155496  -0.109299  -0.061685
-    0SOL     H3    3  -0.168890  -0.034649   0.069338
-    1SOL     O4    4   0.112392   0.085033  -0.010083
-    1SOL     H5    5   0.043494   0.019395   0.000264
-    1SOL     H6    6   0.170558   0.048468  -0.076732
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032347   0.069978   0.117989
-    0SOL     H2    2   0.044403   0.116608   0.151116
-    0SOL     H3    3   0.002111   0.012627   0.049537
-    1SOL     O4    4   0.024556  -0.071756  -0.109842
-    1SOL     H5    5   0.092549  -0.103171  -0.169444
-    1SOL     H6    6  -0.011137   0.005898  -0.152949
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030419  -0.136184   0.033407
-    0SOL     H2    2  -0.033786  -0.042355   0.014777
-    0SOL     H3    3   0.057301  -0.162959   0.006011
-    1SOL     O4    4   0.025819   0.125596  -0.030958
-    1SOL     H5    5   0.061154   0.186324  -0.095964
-    1SOL     H6    6  -0.011313   0.181996   0.036885
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105964   0.030977   0.090446
-    0SOL     H2    2   0.012148   0.034586   0.071792
-    0SOL     H3    3   0.144636   0.095866   0.031657
-    1SOL     O4    4  -0.102725  -0.029699  -0.081357
-    1SOL     H5    5  -0.029301  -0.087983  -0.100703
-    1SOL     H6    6  -0.173316  -0.060315  -0.138294
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051414   0.124703   0.033504
-    0SOL     H2    2   0.082003   0.111900  -0.056288
-    0SOL     H3    3  -0.028991   0.175836   0.024405
-    1SOL     O4    4  -0.054059  -0.127173  -0.026460
-    1SOL     H5    5  -0.006014  -0.187986  -0.082636
-    1SOL     H6    6   0.009242  -0.058378  -0.005903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058952   0.122418  -0.011803
-    0SOL     H2    2   0.012900   0.169974  -0.053492
-    0SOL     H3    3  -0.125147   0.113969  -0.080426
-    1SOL     O4    4   0.057284  -0.127040   0.024354
-    1SOL     H5    5   0.132387  -0.149152  -0.030718
-    1SOL     H6    6   0.007098  -0.064229  -0.027593
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035157   0.055384  -0.122855
-    0SOL     H2    2   0.097820   0.111930  -0.077708
-    0SOL     H3    3  -0.047001   0.104471  -0.121183
-    1SOL     O4    4  -0.034331  -0.058704   0.125338
-    1SOL     H5    5  -0.068707  -0.146458   0.108614
-    1SOL     H6    6   0.002342  -0.030897   0.041409
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058270  -0.131598  -0.004222
-    0SOL     H2    2  -0.025464  -0.149478   0.038571
-    0SOL     H3    3   0.106265  -0.077599   0.058570
-    1SOL     O4    4  -0.055659   0.131590   0.004148
-    1SOL     H5    5  -0.108635   0.172034  -0.064555
-    1SOL     H6    6  -0.015005   0.056014  -0.038253
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009103   0.129016  -0.073172
-    0SOL     H2    2  -0.066325   0.124829   0.003447
-    0SOL     H3    3   0.025442   0.040205  -0.082208
-    1SOL     O4    4   0.011055  -0.117120   0.065704
-    1SOL     H5    5  -0.062112  -0.178722   0.061944
-    1SOL     H6    6   0.073069  -0.157204   0.126612
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126386   0.017254  -0.069657
-    0SOL     H2    2  -0.092002   0.081998  -0.131206
-    0SOL     H3    3  -0.106099   0.053129   0.016736
-    1SOL     O4    4   0.125452  -0.028360   0.072422
-    1SOL     H5    5   0.049116  -0.025485   0.014744
-    1SOL     H6    6   0.166567   0.057463   0.062113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.098660   0.071139   0.064433
-    0SOL     H2    2   0.148557   0.020368   0.128424
-    0SOL     H3    3   0.165225   0.114333   0.010901
-    1SOL     O4    4  -0.111353  -0.067979  -0.067637
-    1SOL     H5    5  -0.044606  -0.018199  -0.020425
-    1SOL     H6    6  -0.076723  -0.157142  -0.071239
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006282  -0.001565   0.152720
-    0SOL     H2    2   0.047846  -0.085216   0.173628
-    0SOL     H3    3  -0.020665  -0.010345   0.061291
-    1SOL     O4    4  -0.004346   0.008693  -0.142941
-    1SOL     H5    5  -0.058966   0.058952  -0.203382
-    1SOL     H6    6   0.003197  -0.077656  -0.183554
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006804  -0.116271   0.087293
-    0SOL     H2    2  -0.093240  -0.157173   0.083030
-    0SOL     H3    3   0.053170  -0.183470   0.054893
-    1SOL     O4    4   0.009455   0.129214  -0.084239
-    1SOL     H5    5  -0.020108   0.087694  -0.165260
-    1SOL     H6    6   0.019399   0.056818  -0.022415
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040103   0.101931   0.098327
-    0SOL     H2    2   0.066736   0.157903   0.025389
-    0SOL     H3    3  -0.028626   0.151540   0.142796
-    1SOL     O4    4  -0.038311  -0.114088  -0.097601
-    1SOL     H5    5  -0.009277  -0.073275  -0.016031
-    1SOL     H6    6  -0.057113  -0.040520  -0.155881
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.133661  -0.040008   0.057275
-    0SOL     H2    2  -0.044943  -0.026373   0.090525
-    0SOL     H3    3  -0.190415  -0.000268   0.123321
-    1SOL     O4    4   0.127086   0.041605  -0.061592
-    1SOL     H5    5   0.220868   0.058964  -0.053474
-    1SOL     H6    6   0.121653  -0.051689  -0.082303
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068252   0.134147  -0.009168
-    0SOL     H2    2   0.019377   0.172661  -0.009587
-    0SOL     H3    3  -0.091743   0.126943  -0.101680
-    1SOL     O4    4   0.060537  -0.138980   0.019507
-    1SOL     H5    5   0.141395  -0.167078  -0.023328
-    1SOL     H6    6   0.040878  -0.053930  -0.019766
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078258  -0.049439  -0.119409
-    0SOL     H2    2  -0.013535  -0.069466  -0.137716
-    0SOL     H3    3   0.098932   0.023700  -0.177595
-    1SOL     O4    4  -0.077414   0.051451   0.118463
-    1SOL     H5    5  -0.087569   0.049140   0.213615
-    1SOL     H6    6  -0.019727  -0.022328   0.098686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100756  -0.014055   0.109987
-    0SOL     H2    2  -0.171189   0.048900   0.094551
-    0SOL     H3    3  -0.143085  -0.099620   0.102974
-    1SOL     O4    4   0.106133   0.017894  -0.114202
-    1SOL     H5    5   0.046483   0.002830  -0.040872
-    1SOL     H6    6   0.192309  -0.006531  -0.080447
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061379  -0.057769   0.134601
-    0SOL     H2    2   0.053625  -0.048052   0.039692
-    0SOL     H3    3   0.052621   0.031267   0.168636
-    1SOL     O4    4  -0.059865   0.053473  -0.125284
-    1SOL     H5    5   0.008880   0.033806  -0.188920
-    1SOL     H6    6  -0.141236   0.047992  -0.175395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.145936  -0.051987   0.024306
-    0SOL     H2    2   0.209986   0.012739  -0.005200
-    0SOL     H3    3   0.072059  -0.041721  -0.035687
-    1SOL     O4    4  -0.143894   0.053161  -0.014190
-    1SOL     H5    5  -0.120243   0.051687  -0.106931
-    1SOL     H6    6  -0.191861  -0.028510  -0.000356
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088433   0.044419  -0.115079
-    0SOL     H2    2  -0.118299   0.127113  -0.152922
-    0SOL     H3    3  -0.152756   0.024548  -0.047034
-    1SOL     O4    4   0.099670  -0.045249   0.113060
-    1SOL     H5    5   0.035195  -0.035294   0.043016
-    1SOL     H6    6   0.052731  -0.091493   0.182491
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050599  -0.003648  -0.148096
-    0SOL     H2    2   0.013263  -0.028826  -0.214804
-    0SOL     H3    3   0.002413   0.024793  -0.073643
-    1SOL     O4    4   0.049705   0.005888   0.143997
-    1SOL     H5    5  -0.036854   0.042491   0.162164
-    1SOL     H6    6   0.051300  -0.076918   0.191985
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079887  -0.089995   0.087514
-    0SOL     H2    2   0.062748  -0.183788   0.079060
-    0SOL     H3    3   0.122352  -0.080953   0.172822
-    1SOL     O4    4  -0.079663   0.099901  -0.096304
-    1SOL     H5    5  -0.161132   0.050024  -0.090193
-    1SOL     H6    6  -0.024164   0.063771  -0.027189
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046506  -0.071578  -0.130814
-    0SOL     H2    2  -0.140047  -0.091843  -0.132133
-    0SOL     H3    3  -0.011140  -0.126042  -0.060492
-    1SOL     O4    4   0.052123   0.081189   0.125686
-    1SOL     H5    5   0.069283   0.020892   0.198019
-    1SOL     H6    6  -0.013154   0.036281   0.071978
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103780   0.021576   0.113942
-    0SOL     H2    2  -0.157444  -0.046853   0.153942
-    0SOL     H3    3  -0.033707   0.037200   0.177251
-    1SOL     O4    4   0.101694  -0.017380  -0.126625
-    1SOL     H5    5   0.035304  -0.019751  -0.057712
-    1SOL     H6    6   0.183801  -0.037070  -0.081535
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056950  -0.040117   0.137916
-    0SOL     H2    2   0.135234  -0.010238   0.184187
-    0SOL     H3    3   0.003138  -0.080994   0.205708
-    1SOL     O4    4  -0.062691   0.043999  -0.142102
-    1SOL     H5    5   0.023294   0.074723  -0.170822
-    1SOL     H6    6  -0.068403  -0.045659  -0.175133
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055663  -0.029578   0.156220
-    0SOL     H2    2  -0.123042   0.031798   0.126974
-    0SOL     H3    3   0.023199  -0.002954   0.108950
-    1SOL     O4    4   0.060327   0.027544  -0.147766
-    1SOL     H5    5   0.034908  -0.063752  -0.161224
-    1SOL     H6    6   0.002947   0.077274  -0.206048
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122217  -0.020550  -0.106288
-    0SOL     H2    2  -0.175550  -0.094639  -0.077498
-    0SOL     H3    3  -0.060588  -0.058296  -0.169052
-    1SOL     O4    4   0.125434   0.020804   0.107760
-    1SOL     H5    5   0.156268   0.103881   0.143952
-    1SOL     H6    6   0.035850   0.038820   0.079255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026911  -0.051479   0.158397
-    0SOL     H2    2   0.050562  -0.039457   0.066428
-    0SOL     H3    3   0.108184  -0.035478   0.206366
-    1SOL     O4    4  -0.027231   0.050230  -0.154149
-    1SOL     H5    5  -0.073381   0.044356  -0.237803
-    1SOL     H6    6  -0.096434   0.045556  -0.088184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104039   0.111830   0.080221
-    0SOL     H2    2  -0.127877   0.052675   0.008843
-    0SOL     H3    3  -0.035435   0.167487   0.043367
-    1SOL     O4    4   0.100616  -0.106942  -0.077966
-    1SOL     H5    5   0.056539  -0.135812   0.001947
-    1SOL     H6    6   0.170451  -0.171024  -0.091343
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032840   0.101820  -0.135482
-    0SOL     H2    2  -0.029453   0.120164  -0.065160
-    0SOL     H3    3   0.109547   0.154915  -0.114050
-    1SOL     O4    4  -0.029548  -0.100165   0.133182
-    1SOL     H5    5  -0.026625  -0.135074   0.044103
-    1SOL     H6    6  -0.095237  -0.153638   0.177769
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062570  -0.153329  -0.035451
-    0SOL     H2    2  -0.029014  -0.125774  -0.039397
-    0SOL     H3    3   0.064072  -0.238072  -0.079935
-    1SOL     O4    4  -0.061197   0.154772   0.033776
-    1SOL     H5    5  -0.080018   0.222461   0.098786
-    1SOL     H6    6   0.027686   0.125800   0.054339
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080124  -0.138032  -0.052277
-    0SOL     H2    2  -0.152128  -0.085403  -0.087033
-    0SOL     H3    3  -0.121398  -0.219809  -0.024505
-    1SOL     O4    4   0.083383   0.140351   0.058695
-    1SOL     H5    5   0.078914   0.202929  -0.013598
-    1SOL     H6    6   0.139538   0.070013   0.026113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010229  -0.139082  -0.096633
-    0SOL     H2    2   0.044148  -0.223978  -0.068266
-    0SOL     H3    3   0.083310  -0.098368  -0.143149
-    1SOL     O4    4  -0.014113   0.141390   0.103828
-    1SOL     H5    5  -0.023921   0.217193   0.046209
-    1SOL     H6    6  -0.039688   0.066668   0.049746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073666   0.062283   0.151179
-    0SOL     H2    2   0.090896   0.132462   0.088407
-    0SOL     H3    3   0.008817   0.006754   0.107894
-    1SOL     O4    4  -0.074993  -0.061074  -0.150723
-    1SOL     H5    5  -0.100037  -0.077245  -0.059764
-    1SOL     H6    6   0.018361  -0.081972  -0.153990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131346   0.084830  -0.078234
-    0SOL     H2    2   0.198116   0.056678  -0.140776
-    0SOL     H3    3   0.049386   0.081657  -0.127577
-    1SOL     O4    4  -0.130350  -0.078479   0.089004
-    1SOL     H5    5  -0.095734  -0.075631  -0.000192
-    1SOL     H6    6  -0.171164  -0.164765   0.096163
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012814   0.082516  -0.159282
-    0SOL     H2    2  -0.049847   0.149339  -0.131521
-    0SOL     H3    3  -0.036937   0.000759  -0.157529
-    1SOL     O4    4  -0.006797  -0.088179   0.157045
-    1SOL     H5    5   0.064728  -0.030650   0.129900
-    1SOL     H6    6  -0.072061  -0.029176   0.194749
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.162711  -0.041027  -0.064924
-    0SOL     H2    2  -0.121372  -0.099642  -0.128309
-    0SOL     H3    3  -0.140357   0.046908  -0.095422
-    1SOL     O4    4   0.164104   0.045761   0.069147
-    1SOL     H5    5   0.187733  -0.044086   0.092203
-    1SOL     H6    6   0.070222   0.041949   0.050875
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.156224  -0.088733  -0.001972
-    0SOL     H2    2   0.194670  -0.176188  -0.007953
-    0SOL     H3    3   0.073888  -0.095354  -0.050338
-    1SOL     O4    4  -0.157693   0.088459   0.002410
-    1SOL     H5    5  -0.076171   0.123122  -0.033854
-    1SOL     H6    6  -0.173178   0.140841   0.081014
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013850   0.136337  -0.122756
-    0SOL     H2    2  -0.047998   0.195159  -0.190108
-    0SOL     H3    3  -0.019478   0.049176  -0.161919
-    1SOL     O4    4   0.013131  -0.138543   0.124473
-    1SOL     H5    5   0.053207  -0.163659   0.207692
-    1SOL     H6    6   0.027222  -0.044048   0.118602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097056   0.018836   0.164099
-    0SOL     H2    2   0.031596   0.009477   0.094891
-    0SOL     H3    3   0.158476  -0.052991   0.148909
-    1SOL     O4    4  -0.100195  -0.010828  -0.154694
-    1SOL     H5    5  -0.137941  -0.078104  -0.211363
-    1SOL     H6    6  -0.008403  -0.005729  -0.181351
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044749  -0.167128   0.072734
-    0SOL     H2    2  -0.025266  -0.215586   0.152950
-    0SOL     H3    3   0.008185  -0.087644   0.079256
-    1SOL     O4    4   0.041709   0.170163  -0.081639
-    1SOL     H5    5  -0.041240   0.144214  -0.041535
-    1SOL     H6    6   0.106940   0.113216  -0.040843
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012659   0.113222   0.149740
-    0SOL     H2    2   0.004192   0.060652   0.229282
-    0SOL     H3    3   0.101829   0.096434   0.119257
-    1SOL     O4    4  -0.014628  -0.111035  -0.157811
-    1SOL     H5    5  -0.104182  -0.127581  -0.128338
-    1SOL     H6    6   0.023079  -0.055189  -0.089829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.161610   0.079164  -0.049041
-    0SOL     H2    2   0.148940  -0.014857  -0.061761
-    0SOL     H3    3   0.246560   0.097572  -0.089127
-    1SOL     O4    4  -0.162623  -0.074031   0.047307
-    1SOL     H5    5  -0.129996  -0.092206   0.135440
-    1SOL     H6    6  -0.257647  -0.068690   0.057521
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008193   0.131474   0.126136
-    0SOL     H2    2  -0.005584   0.091397   0.211964
-    0SOL     H3    3   0.033528   0.221711   0.145575
-    1SOL     O4    4  -0.004890  -0.139330  -0.129902
-    1SOL     H5    5  -0.040272  -0.060269  -0.089160
-    1SOL     H6    6  -0.038061  -0.136976  -0.219660
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096954   0.044871  -0.164853
-    0SOL     H2    2  -0.075605  -0.047329  -0.150517
-    0SOL     H3    3  -0.014013   0.090955  -0.152227
-    1SOL     O4    4   0.088387  -0.046305   0.158694
-    1SOL     H5    5   0.110949  -0.067796   0.249201
-    1SOL     H6    6   0.115563   0.044873   0.148190
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076149   0.178813  -0.010285
-    0SOL     H2    2  -0.002646   0.233105  -0.007823
-    0SOL     H3    3   0.061426   0.118437  -0.083088
-    1SOL     O4    4  -0.066484  -0.182818   0.011246
-    1SOL     H5    5  -0.121805  -0.113593  -0.024945
-    1SOL     H6    6  -0.084782  -0.181509   0.105192
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.176829  -0.046096   0.099417
-    0SOL     H2    2  -0.086335  -0.034475   0.070467
-    0SOL     H3    3  -0.201597  -0.132552   0.066639
-    1SOL     O4    4   0.172293   0.044916  -0.092315
-    1SOL     H5    5   0.215750   0.052874  -0.177230
-    1SOL     H6    6   0.145981   0.134290  -0.070353
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120548   0.093903   0.131473
-    0SOL     H2    2  -0.201015   0.137527   0.103467
-    0SOL     H3    3  -0.079268   0.155952   0.191541
-    1SOL     O4    4   0.127280  -0.102168  -0.131207
-    1SOL     H5    5   0.039864  -0.138314  -0.116566
-    1SOL     H6    6   0.113842  -0.031852  -0.194747
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014618   0.205722   0.043670
-    0SOL     H2    2   0.067982   0.182627   0.086169
-    0SOL     H3    3   0.005082   0.203333  -0.049970
-    1SOL     O4    4   0.014132  -0.201452  -0.044573
-    1SOL     H5    5  -0.034380  -0.160592   0.027117
-    1SOL     H6    6  -0.022121  -0.289823  -0.050781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028966  -0.059945   0.208926
-    0SOL     H2    2   0.053130  -0.010981   0.203923
-    0SOL     H3    3  -0.059583  -0.046364   0.298595
-    1SOL     O4    4   0.025588   0.059439  -0.209231
-    1SOL     H5    5   0.017076   0.090187  -0.299477
-    1SOL     H6    6   0.038450  -0.035078  -0.217192
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012775   0.046062  -0.227505
-    0SOL     H2    2   0.046776   0.104688  -0.159909
-    0SOL     H3    3  -0.006777  -0.035323  -0.181067
-    1SOL     O4    4  -0.016984  -0.040957   0.216942
-    1SOL     H5    5   0.077428  -0.048118   0.230996
-    1SOL     H6    6  -0.054816  -0.108516   0.273216
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038149  -0.141059  -0.166498
-    0SOL     H2    2  -0.006589  -0.225407  -0.173290
-    0SOL     H3    3   0.128539  -0.159724  -0.191869
-    1SOL     O4    4  -0.040949   0.148850   0.175195
-    1SOL     H5    5   0.015431   0.082406   0.135587
-    1SOL     H6    6  -0.093883   0.181800   0.102568
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042166  -0.231897  -0.039322
-    0SOL     H2    2   0.018776  -0.141035  -0.020370
-    0SOL     H3    3  -0.023737  -0.260996  -0.102350
-    1SOL     O4    4  -0.033022   0.222764   0.041476
-    1SOL     H5    5  -0.034891   0.294415   0.104918
-    1SOL     H6    6  -0.102959   0.243698  -0.020435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050161   0.067899   0.235780
-    0SOL     H2    2  -0.031087  -0.006639   0.178837
-    0SOL     H3    3  -0.098803   0.128756   0.180168
-    1SOL     O4    4   0.048335  -0.061537  -0.227234
-    1SOL     H5    5   0.122843  -0.062118  -0.287322
-    1SOL     H6    6   0.029885  -0.154046  -0.210987
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.180357   0.113244  -0.131830
-    0SOL     H2    2   0.098950   0.097980  -0.083848
-    0SOL     H3    3   0.158031   0.095552  -0.223213
-    1SOL     O4    4  -0.179645  -0.107034   0.132654
-    1SOL     H5    5  -0.123548  -0.096883   0.209546
-    1SOL     H6    6  -0.151418  -0.189489   0.093072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013931   0.222449   0.122468
-    0SOL     H2    2  -0.071173   0.221604   0.045754
-    0SOL     H3    3   0.021335   0.133582   0.127076
-    1SOL     O4    4   0.019269  -0.218127  -0.123066
-    1SOL     H5    5   0.031768  -0.202437  -0.029472
-    1SOL     H6    6  -0.075696  -0.222671  -0.134166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.171315  -0.180854  -0.038856
-    0SOL     H2    2   0.105066  -0.125304  -0.079936
-    0SOL     H3    3   0.253773  -0.134357  -0.053039
-    1SOL     O4    4  -0.171485   0.176686   0.035207
-    1SOL     H5    5  -0.131960   0.222088   0.109631
-    1SOL     H6    6  -0.221984   0.105532   0.074568
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080241  -0.153929   0.180532
-    0SOL     H2    2   0.107477  -0.228848   0.127545
-    0SOL     H3    3  -0.013411  -0.167503   0.194939
-    1SOL     O4    4  -0.081092   0.158026  -0.173401
-    1SOL     H5    5  -0.030454   0.237757  -0.188926
-    1SOL     H6    6  -0.050434   0.096731  -0.240224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099198  -0.146289  -0.187066
-    0SOL     H2    2  -0.089845  -0.107777  -0.274197
-    0SOL     H3    3  -0.047370  -0.089507  -0.130041
-    1SOL     O4    4   0.094762   0.142089   0.181859
-    1SOL     H5    5   0.176158   0.137905   0.232053
-    1SOL     H6    6   0.026089   0.123548   0.245910
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.161136  -0.032013  -0.197948
-    0SOL     H2    2   0.165455  -0.127361  -0.190710
-    0SOL     H3    3   0.231011  -0.000407  -0.140669
-    1SOL     O4    4  -0.163971   0.038318   0.199059
-    1SOL     H5    5  -0.130052   0.057735   0.111682
-    1SOL     H6    6  -0.222974  -0.035906   0.185951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093613   0.008015   0.245864
-    0SOL     H2    2  -0.027949   0.065169   0.285665
-    0SOL     H3    3  -0.061102  -0.007809   0.157236
-    1SOL     O4    4   0.088487  -0.006100  -0.237844
-    1SOL     H5    5   0.132904  -0.007172  -0.322628
-    1SOL     H6    6   0.030829  -0.082476  -0.239990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127073  -0.008076   0.222096
-    0SOL     H2    2  -0.173962  -0.088670   0.243735
-    0SOL     H3    3  -0.148732   0.052141   0.293280
-    1SOL     O4    4   0.131263   0.003296  -0.224103
-    1SOL     H5    5   0.108141   0.024321  -0.314577
-    1SOL     H6    6   0.141795   0.088424  -0.181622
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118643   0.076133  -0.226769
-    0SOL     H2    2  -0.027358   0.059542  -0.203234
-    0SOL     H3    3  -0.144234  -0.000024  -0.278803
-    1SOL     O4    4   0.111927  -0.069313   0.223307
-    1SOL     H5    5   0.122321  -0.161242   0.247869
-    1SOL     H6    6   0.167903  -0.021623   0.284583
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.198721   0.141066  -0.137379
-    0SOL     H2    2   0.165836   0.230919  -0.134696
-    0SOL     H3    3   0.241281   0.128544  -0.052560
-    1SOL     O4    4  -0.195942  -0.145386   0.137681
-    1SOL     H5    5  -0.264152  -0.207660   0.112549
-    1SOL     H6    6  -0.197058  -0.079324   0.068421
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044038  -0.270458   0.058679
-    0SOL     H2    2   0.075641  -0.325833  -0.012715
-    0SOL     H3    3   0.113964  -0.206506   0.072204
-    1SOL     O4    4  -0.055141   0.268976  -0.060544
-    1SOL     H5    5   0.031058   0.227366  -0.059686
-    1SOL     H6    6  -0.054551   0.326973   0.015603
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084447   0.013539  -0.283207
-    0SOL     H2    2   0.004080   0.034887  -0.330618
-    0SOL     H3    3   0.071454   0.050748  -0.195977
-    1SOL     O4    4  -0.073238  -0.017851   0.278322
-    1SOL     H5    5  -0.138004   0.047573   0.252103
-    1SOL     H6    6  -0.113433  -0.063016   0.352530
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.221420   0.170669  -0.109350
-    0SOL     H2    2   0.205496   0.264773  -0.102059
-    0SOL     H3    3   0.250461   0.144405  -0.022005
-    1SOL     O4    4  -0.226781  -0.176450   0.100296
-    1SOL     H5    5  -0.166702  -0.103710   0.084120
-    1SOL     H6    6  -0.201742  -0.209528   0.186559
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.125475   0.073037   0.283889
-    0SOL     H2    2  -0.193554   0.098749   0.346069
-    0SOL     H3    3  -0.047155   0.061136   0.337617
-    1SOL     O4    4   0.128342  -0.072411  -0.295487
-    1SOL     H5    5   0.151958  -0.066149  -0.202937
-    1SOL     H6    6   0.038366  -0.105068  -0.295138
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.293698   0.173646   0.127311
-    0SOL     H2    2   0.353753   0.245044   0.105905
-    0SOL     H3    3   0.216200   0.217272   0.162710
-    1SOL     O4    4  -0.291716  -0.175747  -0.133140
-    1SOL     H5    5  -0.279501  -0.166989  -0.038608
-    1SOL     H6    6  -0.322234  -0.265671  -0.145165
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.353371  -0.198135  -0.061658
-    0SOL     H2    2   0.387973  -0.121812  -0.107917
-    0SOL     H3    3   0.302165  -0.161362   0.010370
-    1SOL     O4    4  -0.347810   0.197202   0.057418
-    1SOL     H5    5  -0.331095   0.105766   0.080275
-    1SOL     H6    6  -0.439400   0.211539   0.081249
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.151118  -0.365172  -0.165259
-    0SOL     H2    2  -0.230819  -0.319175  -0.138909
-    0SOL     H3    3  -0.170072  -0.397497  -0.253339
-    1SOL     O4    4   0.150266   0.363672   0.168470
-    1SOL     H5    5   0.207712   0.394068   0.238743
-    1SOL     H6    6   0.209218   0.346390   0.095065
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014682   0.254266   0.365149
-    0SOL     H2    2  -0.046379   0.272468   0.293716
-    0SOL     H3    3   0.085035   0.318106   0.353438
-    1SOL     O4    4  -0.012119  -0.258685  -0.353520
-    1SOL     H5    5  -0.090483  -0.214100  -0.385669
-    1SOL     H6    6   0.019563  -0.308739  -0.428708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.143050  -0.334421   0.293298
-    0SOL     H2    2   0.126502  -0.365930   0.204440
-    0SOL     H3    3   0.075783  -0.267952   0.308107
-    1SOL     O4    4  -0.138651   0.326675  -0.286839
-    1SOL     H5    5  -0.210649   0.374470  -0.328001
-    1SOL     H6    6  -0.063588   0.385656  -0.293841
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073425  -0.447718  -0.076589
-    0SOL     H2    2  -0.102815  -0.530786  -0.039195
-    0SOL     H3    3   0.012362  -0.467362  -0.114232
-    1SOL     O4    4   0.072706   0.455985   0.070847
-    1SOL     H5    5   0.076576   0.493763   0.158712
-    1SOL     H6    6   0.022564   0.375170   0.081658
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.391832  -0.314853  -0.133245
-    0SOL     H2    2  -0.394431  -0.224597  -0.165018
-    0SOL     H3    3  -0.330232  -0.359090  -0.191648
-    1SOL     O4    4   0.390945   0.317415   0.136343
-    1SOL     H5    5   0.355656   0.246088   0.083151
-    1SOL     H6    6   0.382854   0.286370   0.226527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.224311  -0.352622  -0.307571
-    0SOL     H2    2   0.227354  -0.311735  -0.394066
-    0SOL     H3    3   0.306536  -0.326809  -0.265918
-    1SOL     O4    4  -0.224558   0.353536   0.310702
-    1SOL     H5    5  -0.307726   0.362207   0.264117
-    1SOL     H6    6  -0.223485   0.262815   0.341213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.360082   0.402883   0.027203
-    0SOL     H2    2   0.416891   0.469933  -0.010736
-    0SOL     H3    3   0.404013   0.320183   0.007375
-    1SOL     O4    4  -0.370192  -0.397725  -0.024905
-    1SOL     H5    5  -0.375739  -0.459700   0.047831
-    1SOL     H6    6  -0.288644  -0.420411  -0.069599
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.332069   0.406871  -0.394781
-    0SOL     H2    2  -0.270390   0.476449  -0.417516
-    0SOL     H3    3  -0.329126   0.346891  -0.469320
-    1SOL     O4    4   0.327818  -0.409259   0.394188
-    1SOL     H5    5   0.367848  -0.329702   0.429268
-    1SOL     H6    6   0.295050  -0.455627   0.471250
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102661  -0.168916  -0.776457
-    0SOL     H2    2  -0.165604  -0.239079  -0.793118
-    0SOL     H3    3  -0.084497  -0.174745  -0.682657
-    1SOL     O4    4   0.100796   0.178225   0.768261
-    1SOL     H5    5   0.103093   0.083590   0.754074
-    1SOL     H6    6   0.166790   0.193979   0.835781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.919929   0.011485   0.507403
-    0SOL     H2    2   0.970309  -0.039802   0.444205
-    0SOL     H3    3   0.832991  -0.028563   0.506948
-    1SOL     O4    4  -0.920742  -0.001519  -0.500813
-    1SOL     H5    5  -0.869737  -0.074557  -0.465796
-    1SOL     H6    6  -0.923009  -0.016930  -0.595257
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039984   0.120393  -0.016005
-    0SOL     H2    2  -0.020214   0.028713   0.003133
-    0SOL     H3    3  -0.006723   0.168446   0.059803
-    1SOL     O4    4   0.042252  -0.112234   0.012652
-    1SOL     H5    5  -0.005005  -0.169977   0.072610
-    1SOL     H6    6   0.014975  -0.140698  -0.074572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004206   0.119836  -0.030109
-    0SOL     H2    2   0.040867   0.107641   0.057467
-    0SOL     H3    3  -0.008276   0.214415  -0.037944
-    1SOL     O4    4  -0.001510  -0.128224   0.024373
-    1SOL     H5    5  -0.078324  -0.140603   0.080129
-    1SOL     H6    6  -0.004057  -0.035636   0.000219
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108531   0.069783  -0.032808
-    0SOL     H2    2   0.029884   0.100220   0.012475
-    0SOL     H3    3   0.093342  -0.023634  -0.047126
-    1SOL     O4    4  -0.104304  -0.062006   0.037247
-    1SOL     H5    5  -0.113296  -0.038477  -0.055099
-    1SOL     H6    6  -0.078631  -0.154212   0.036130
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026660  -0.023224   0.129843
-    0SOL     H2    2   0.083616  -0.090353   0.092266
-    0SOL     H3    3  -0.016731   0.016461   0.054315
-    1SOL     O4    4  -0.029349   0.026547  -0.117854
-    1SOL     H5    5  -0.065615   0.052265  -0.202623
-    1SOL     H6    6   0.042939  -0.032329  -0.139544
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000054  -0.117163  -0.045291
-    0SOL     H2    2  -0.007727  -0.104884  -0.139909
-    0SOL     H3    3  -0.079283  -0.164963  -0.020791
-    1SOL     O4    4   0.008738   0.119803   0.056066
-    1SOL     H5    5  -0.033088   0.190053   0.006288
-    1SOL     H6    6  -0.009311   0.040543   0.005524
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004209  -0.082729  -0.103215
-    0SOL     H2    2  -0.026354  -0.016879  -0.040830
-    0SOL     H3    3  -0.034788  -0.056664  -0.186655
-    1SOL     O4    4  -0.002842   0.081373   0.098919
-    1SOL     H5    5   0.086538   0.049006   0.110138
-    1SOL     H6    6  -0.050263   0.047755   0.174968
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076049   0.033697  -0.099243
-    0SOL     H2    2   0.072960  -0.037166  -0.163517
-    0SOL     H3    3   0.150873   0.012302  -0.043511
-    1SOL     O4    4  -0.081950  -0.024581   0.105243
-    1SOL     H5    5  -0.043825  -0.001019   0.020664
-    1SOL     H6    6  -0.090566  -0.119856   0.101978
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026496   0.108159   0.078097
-    0SOL     H2    2   0.116539   0.109691   0.110536
-    0SOL     H3    3   0.026693   0.040981   0.009910
-    1SOL     O4    4  -0.033120  -0.102659  -0.070785
-    1SOL     H5    5   0.033626  -0.169700  -0.085372
-    1SOL     H6    6  -0.062486  -0.078517  -0.158633
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088915  -0.094432  -0.046013
-    0SOL     H2    2  -0.042043  -0.023153  -0.002600
-    0SOL     H3    3  -0.143142  -0.050928  -0.111809
-    1SOL     O4    4   0.082468   0.088903   0.048082
-    1SOL     H5    5   0.120082   0.041396  -0.026017
-    1SOL     H6    6   0.158049   0.115119   0.100642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013638   0.060724  -0.114731
-    0SOL     H2    2   0.001752   0.145861  -0.073778
-    0SOL     H3    3   0.046451   0.058707  -0.189213
-    1SOL     O4    4   0.013101  -0.063831   0.122723
-    1SOL     H5    5  -0.035967  -0.144238   0.105711
-    1SOL     H6    6   0.000995  -0.011159   0.043720
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039028  -0.130210   0.022797
-    0SOL     H2    2   0.039463  -0.184619   0.016382
-    0SOL     H3    3  -0.007903  -0.041169   0.006510
-    1SOL     O4    4   0.038484   0.123610  -0.020913
-    1SOL     H5    5  -0.000934   0.177922   0.047342
-    1SOL     H6    6  -0.017904   0.136283  -0.097216
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034969   0.119105  -0.052901
-    0SOL     H2    2  -0.008259   0.093371  -0.134335
-    0SOL     H3    3   0.124390   0.086116  -0.061735
-    1SOL     O4    4  -0.044406  -0.118489   0.056393
-    1SOL     H5    5  -0.006808  -0.035071   0.028284
-    1SOL     H6    6   0.020759  -0.155288   0.116072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108905   0.083374   0.017545
-    0SOL     H2    2  -0.021697   0.045747   0.029432
-    0SOL     H3    3  -0.093977   0.162832  -0.033698
-    1SOL     O4    4   0.098508  -0.084166  -0.011834
-    1SOL     H5    5   0.099923  -0.103193  -0.105633
-    1SOL     H6    6   0.188457  -0.099450   0.017114
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042791  -0.123970  -0.031364
-    0SOL     H2    2   0.013222  -0.183991  -0.080581
-    0SOL     H3    3  -0.056327  -0.167393   0.052860
-    1SOL     O4    4   0.042252   0.134497   0.025638
-    1SOL     H5    5   0.011206   0.047753  -0.000321
-    1SOL     H6    6   0.035351   0.134879   0.121108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060859  -0.006990   0.117984
-    0SOL     H2    2   0.156578  -0.007387   0.117698
-    0SOL     H3    3   0.037226   0.016438   0.207733
-    1SOL     O4    4  -0.071000   0.002574  -0.124623
-    1SOL     H5    5  -0.021505   0.067294  -0.174863
-    1SOL     H6    6  -0.017424  -0.013613  -0.046971
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120534  -0.076396  -0.022400
-    0SOL     H2    2   0.052627  -0.013736   0.002593
-    0SOL     H3    3   0.095088  -0.105738  -0.109886
-    1SOL     O4    4  -0.110226   0.070901   0.022529
-    1SOL     H5    5  -0.203410   0.049108   0.020482
-    1SOL     H6    6  -0.105400   0.150735   0.075117
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067969   0.011073   0.124517
-    0SOL     H2    2  -0.058756   0.005385   0.029411
-    0SOL     H3    3  -0.152841   0.053254   0.137927
-    1SOL     O4    4   0.072181  -0.010878  -0.113239
-    1SOL     H5    5   0.124148   0.028988  -0.183041
-    1SOL     H6    6   0.025217  -0.082403  -0.156144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033059   0.132653   0.029203
-    0SOL     H2    2   0.000013   0.141396  -0.060206
-    0SOL     H3    3  -0.031211   0.178707   0.083154
-    1SOL     O4    4  -0.024349  -0.141060  -0.030302
-    1SOL     H5    5   0.015639  -0.060923   0.003483
-    1SOL     H6    6  -0.117740  -0.130853  -0.011968
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071708  -0.124774  -0.031344
-    0SOL     H2    2  -0.085495  -0.139474   0.062230
-    0SOL     H3    3  -0.043209  -0.033594  -0.037370
-    1SOL     O4    4   0.066463   0.119568   0.020736
-    1SOL     H5    5   0.055701   0.155061   0.108978
-    1SOL     H6    6   0.157078   0.088838   0.018116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.114489   0.060984  -0.069050
-    0SOL     H2    2   0.111735  -0.032149  -0.047123
-    0SOL     H3    3   0.027264   0.080113  -0.103520
-    1SOL     O4    4  -0.112820  -0.063591   0.070827
-    1SOL     H5    5  -0.118116  -0.004197  -0.004050
-    1SOL     H6    6  -0.056055  -0.018452   0.133297
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072911  -0.059330   0.113444
-    0SOL     H2    2  -0.036444  -0.023756   0.032407
-    0SOL     H3    3  -0.028148  -0.143124   0.125150
-    1SOL     O4    4   0.062143   0.060630  -0.106210
-    1SOL     H5    5   0.090065   0.146780  -0.137207
-    1SOL     H6    6   0.135961   0.002960  -0.125888
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122249   0.073557   0.033943
-    0SOL     H2    2   0.187223   0.016589   0.075117
-    0SOL     H3    3   0.041079   0.022871   0.036112
-    1SOL     O4    4  -0.117042  -0.064868  -0.032253
-    1SOL     H5    5  -0.165793  -0.146796  -0.023682
-    1SOL     H6    6  -0.143411  -0.030049  -0.117426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028692   0.143747  -0.020591
-    0SOL     H2    2  -0.015602   0.049050  -0.025416
-    0SOL     H3    3  -0.036990   0.162089   0.072988
-    1SOL     O4    4   0.029085  -0.134120   0.018808
-    1SOL     H5    5  -0.026046  -0.210908   0.033856
-    1SOL     H6    6   0.076463  -0.154045  -0.061942
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090290   0.110191  -0.050897
-    0SOL     H2    2   0.078642   0.030845   0.001361
-    0SOL     H3    3   0.002435   0.131176  -0.082574
-    1SOL     O4    4  -0.079010  -0.103082   0.045483
-    1SOL     H5    5  -0.169628  -0.077013   0.061951
-    1SOL     H6    6  -0.067977  -0.184193   0.095098
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133202  -0.008012  -0.056422
-    0SOL     H2    2   0.130653  -0.077724   0.009122
-    0SOL     H3    3   0.118623  -0.052849  -0.139725
-    1SOL     O4    4  -0.134781   0.018051   0.062513
-    1SOL     H5    5  -0.043122  -0.002350   0.043948
-    1SOL     H6    6  -0.182226  -0.011958  -0.015016
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035439  -0.070341  -0.127433
-    0SOL     H2    2  -0.048433  -0.101884  -0.161093
-    0SOL     H3    3   0.015718  -0.039430  -0.039014
-    1SOL     O4    4  -0.035629   0.068390   0.121278
-    1SOL     H5    5   0.006564   0.154272   0.123810
-    1SOL     H6    6   0.026196   0.009973   0.165182
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109584  -0.039824  -0.095521
-    0SOL     H2    2   0.032038  -0.006762  -0.050178
-    0SOL     H3    3   0.108008  -0.134267  -0.080013
-    1SOL     O4    4  -0.099629   0.041849   0.087614
-    1SOL     H5    5  -0.123260  -0.002089   0.169305
-    1SOL     H6    6  -0.165209   0.110857   0.077639
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122620  -0.051923  -0.069217
-    0SOL     H2    2  -0.043622  -0.011147  -0.033737
-    0SOL     H3    3  -0.166497   0.018401  -0.117089
-    1SOL     O4    4   0.121847   0.047016   0.063521
-    1SOL     H5    5   0.064920   0.092763   0.125399
-    1SOL     H6    6   0.150649  -0.031143   0.110679
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105001   0.055007   0.082675
-    0SOL     H2    2   0.148848   0.090053   0.005141
-    0SOL     H3    3   0.071924   0.132254   0.128513
-    1SOL     O4    4  -0.106712  -0.066951  -0.085562
-    1SOL     H5    5  -0.034200  -0.053976  -0.024438
-    1SOL     H6    6  -0.163980   0.008391  -0.071199
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.096706   0.051534   0.087933
-    0SOL     H2    2   0.161210  -0.010102   0.122610
-    0SOL     H3    3   0.107655   0.130265   0.141261
-    1SOL     O4    4  -0.106311  -0.055962  -0.091435
-    1SOL     H5    5  -0.093414  -0.005772  -0.171915
-    1SOL     H6    6  -0.026782  -0.040451  -0.040475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092193   0.095416  -0.057031
-    0SOL     H2    2   0.130812   0.012781  -0.086055
-    0SOL     H3    3   0.167198   0.149885  -0.033164
-    1SOL     O4    4  -0.097898  -0.099468   0.061586
-    1SOL     H5    5  -0.031707  -0.037928   0.030058
-    1SOL     H6    6  -0.179739  -0.068748   0.022591
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029863  -0.022798   0.146591
-    0SOL     H2    2  -0.033359   0.009087   0.056405
-    0SOL     H3    3  -0.112500  -0.069552   0.158736
-    1SOL     O4    4   0.032050   0.020369  -0.136914
-    1SOL     H5    5   0.056811   0.112437  -0.145442
-    1SOL     H6    6   0.047676  -0.016824  -0.223718
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061283  -0.072149  -0.106828
-    0SOL     H2    2  -0.082826  -0.150319  -0.157698
-    0SOL     H3    3  -0.074646   0.000520  -0.167680
-    1SOL     O4    4   0.064433   0.078956   0.114496
-    1SOL     H5    5   0.092411  -0.000392   0.160141
-    1SOL     H6    6   0.014053   0.047067   0.039615
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014694   0.005670   0.153511
-    0SOL     H2    2  -0.063336   0.087399   0.142710
-    0SOL     H3    3  -0.026038  -0.040191   0.070261
-    1SOL     O4    4   0.013835  -0.012949  -0.145458
-    1SOL     H5    5   0.105430   0.000991  -0.121412
-    1SOL     H6    6  -0.004522   0.054921  -0.210412
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036909   0.128362  -0.081103
-    0SOL     H2    2   0.076873   0.106321   0.003035
-    0SOL     H3    3  -0.041330   0.073403  -0.085641
-    1SOL     O4    4  -0.037897  -0.118109   0.078275
-    1SOL     H5    5  -0.079451  -0.198751   0.047741
-    1SOL     H6    6   0.055987  -0.134990   0.070328
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066973  -0.037519  -0.134446
-    0SOL     H2    2  -0.076951   0.053727  -0.161591
-    0SOL     H3    3  -0.014536  -0.033172  -0.054485
-    1SOL     O4    4   0.064640   0.031550   0.124929
-    1SOL     H5    5   0.021000  -0.031440   0.182288
-    1SOL     H6    6   0.101941   0.096476   0.184558
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076872   0.013296  -0.135138
-    0SOL     H2    2   0.018470  -0.024705  -0.069506
-    0SOL     H3    3   0.163973   0.007780  -0.095826
-    1SOL     O4    4  -0.079325  -0.003765   0.127794
-    1SOL     H5    5  -0.011843  -0.042773   0.183354
-    1SOL     H6    6  -0.130599  -0.078258   0.096423
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104097  -0.004096   0.109426
-    0SOL     H2    2  -0.008445  -0.006214   0.106510
-    0SOL     H3    3  -0.126952  -0.056932   0.185900
-    1SOL     O4    4   0.105048   0.005608  -0.108263
-    1SOL     H5    5   0.087081   0.090995  -0.147613
-    1SOL     H6    6   0.047284  -0.054894  -0.154795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024649   0.134032  -0.055698
-    0SOL     H2    2   0.119714   0.143583  -0.061504
-    0SOL     H3    3  -0.005083   0.214853  -0.013909
-    1SOL     O4    4  -0.028908  -0.145438   0.050256
-    1SOL     H5    5  -0.009404  -0.132310   0.143043
-    1SOL     H6    6  -0.035950  -0.056944   0.014458
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148503  -0.015591   0.053569
-    0SOL     H2    2   0.128138   0.073764   0.081195
-    0SOL     H3    3   0.065652  -0.049799   0.019986
-    1SOL     O4    4  -0.140446   0.014491  -0.046809
-    1SOL     H5    5  -0.155477  -0.075859  -0.074618
-    1SOL     H6    6  -0.153523   0.066496  -0.126098
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095419   0.066679  -0.094605
-    0SOL     H2    2   0.095349   0.039924  -0.186510
-    0SOL     H3    3   0.052442   0.152208  -0.094476
-    1SOL     O4    4  -0.098517  -0.073394   0.097015
-    1SOL     H5    5  -0.013572  -0.055749   0.056574
-    1SOL     H6    6  -0.096384  -0.024842   0.179480
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088619   0.041813   0.117906
-    0SOL     H2    2   0.074911  -0.036047   0.063941
-    0SOL     H3    3   0.115239   0.007506   0.203210
-    1SOL     O4    4  -0.083148  -0.038039  -0.120541
-    1SOL     H5    5  -0.150118  -0.086179  -0.071961
-    1SOL     H6    6  -0.126240   0.043379  -0.146550
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125508   0.002900   0.082404
-    0SOL     H2    2   0.206750  -0.041694   0.058460
-    0SOL     H3    3   0.145367   0.095995   0.072342
-    1SOL     O4    4  -0.129784  -0.005171  -0.073938
-    1SOL     H5    5  -0.116808   0.061784  -0.141101
-    1SOL     H6    6  -0.164359  -0.080619  -0.121629
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109329   0.106070  -0.051801
-    0SOL     H2    2   0.164557   0.065545   0.015055
-    0SOL     H3    3   0.025761   0.059872  -0.045130
-    1SOL     O4    4  -0.107611  -0.094541   0.046783
-    1SOL     H5    5  -0.053649  -0.147506   0.105479
-    1SOL     H6    6  -0.163678  -0.157903   0.002015
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045762   0.154387  -0.009109
-    0SOL     H2    2   0.061327   0.150385  -0.103470
-    0SOL     H3    3   0.013231   0.067266   0.013564
-    1SOL     O4    4  -0.039814  -0.145551   0.017085
-    1SOL     H5    5  -0.062628  -0.146484  -0.075871
-    1SOL     H6    6  -0.106181  -0.200605   0.058639
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120589   0.080221  -0.065405
-    0SOL     H2    2  -0.048601   0.019130  -0.049659
-    0SOL     H3    3  -0.103430   0.115542  -0.152699
-    1SOL     O4    4   0.110865  -0.076878   0.069930
-    1SOL     H5    5   0.132399  -0.169429   0.058401
-    1SOL     H6    6   0.195700  -0.032606   0.072237
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075202   0.117509   0.077895
-    0SOL     H2    2  -0.063749   0.070186  -0.004516
-    0SOL     H3    3  -0.156897   0.083209   0.114112
-    1SOL     O4    4   0.078438  -0.112980  -0.080533
-    1SOL     H5    5   0.023606  -0.130188  -0.003985
-    1SOL     H6    6   0.162565  -0.085461  -0.044095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048515  -0.036971  -0.150905
-    0SOL     H2    2   0.020177   0.004846  -0.098991
-    0SOL     H3    3  -0.094310  -0.093690  -0.088872
-    1SOL     O4    4   0.047162   0.042985   0.140721
-    1SOL     H5    5   0.125024   0.007231   0.183400
-    1SOL     H6    6  -0.024509  -0.012830   0.170891
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064258   0.145603  -0.047256
-    0SOL     H2    2  -0.020506   0.071308  -0.005684
-    0SOL     H3    3  -0.057976   0.216213   0.017065
-    1SOL     O4    4   0.063953  -0.138962   0.039744
-    1SOL     H5    5  -0.018597  -0.157165   0.084650
-    1SOL     H6    6   0.100182  -0.225370   0.020164
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040972  -0.157862   0.031258
-    0SOL     H2    2   0.040468  -0.064613   0.009652
-    0SOL     H3    3   0.130281  -0.175106   0.061071
-    1SOL     O4    4  -0.046991   0.147272  -0.028331
-    1SOL     H5    5  -0.018694   0.229826   0.010992
-    1SOL     H6    6  -0.062668   0.168633  -0.120311
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097204   0.095931  -0.091285
-    0SOL     H2    2  -0.030684   0.163171  -0.076580
-    0SOL     H3    3  -0.093827   0.079016  -0.185438
-    1SOL     O4    4   0.094028  -0.104795   0.097704
-    1SOL     H5    5   0.163244  -0.038717   0.099971
-    1SOL     H6    6   0.018835  -0.059486   0.059554
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021674  -0.167960  -0.040523
-    0SOL     H2    2   0.025659  -0.153375  -0.135041
-    0SOL     H3    3   0.015531  -0.080147  -0.002927
-    1SOL     O4    4  -0.017993   0.156766   0.043146
-    1SOL     H5    5   0.009050   0.247471   0.028876
-    1SOL     H6    6  -0.110409   0.162800   0.067338
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122035   0.033242   0.107761
-    0SOL     H2    2  -0.208548   0.044784   0.147062
-    0SOL     H3    3  -0.060723   0.050401   0.179237
-    1SOL     O4    4   0.127282  -0.032360  -0.109360
-    1SOL     H5    5   0.084521  -0.117962  -0.106877
-    1SOL     H6    6   0.089991   0.010875  -0.186187
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010118  -0.003096  -0.175185
-    0SOL     H2    2  -0.065565  -0.061195  -0.182860
-    0SOL     H3    3  -0.008899   0.051101  -0.098612
-    1SOL     O4    4   0.000643   0.007636   0.171259
-    1SOL     H5    5  -0.007905  -0.070812   0.225436
-    1SOL     H6    6  -0.080073   0.010226   0.119873
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038902   0.143808  -0.084230
-    0SOL     H2    2   0.043036   0.137804   0.011212
-    0SOL     H3    3   0.109119   0.204551  -0.107519
-    1SOL     O4    4  -0.042455  -0.140588   0.078682
-    1SOL     H5    5  -0.119079  -0.184479   0.115624
-    1SOL     H6    6   0.023135  -0.209799   0.070313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065529   0.112987  -0.113003
-    0SOL     H2    2   0.026310   0.034930  -0.152134
-    0SOL     H3    3   0.030236   0.185791  -0.164152
-    1SOL     O4    4  -0.065045  -0.109857   0.113912
-    1SOL     H5    5   0.030359  -0.103359   0.118163
-    1SOL     H6    6  -0.088472  -0.167177   0.186905
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.069085  -0.146780  -0.066787
-    0SOL     H2    2  -0.078239  -0.144519   0.028467
-    0SOL     H3    3   0.008976  -0.200007  -0.082137
-    1SOL     O4    4   0.064126   0.150093   0.069024
-    1SOL     H5    5   0.092963   0.071074   0.023344
-    1SOL     H6    6   0.056861   0.216271   0.000249
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.081483   0.013031  -0.157982
-    0SOL     H2    2   0.002811   0.010933  -0.103498
-    0SOL     H3    3   0.076109  -0.066505  -0.210967
-    1SOL     O4    4  -0.076975  -0.002148   0.155609
-    1SOL     H5    5   0.002050  -0.051913   0.176605
-    1SOL     H6    6  -0.148806  -0.063443   0.171275
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106291   0.143702  -0.028434
-    0SOL     H2    2  -0.145393   0.122461  -0.113182
-    0SOL     H3    3  -0.127024   0.068530   0.027079
-    1SOL     O4    4   0.106071  -0.143041   0.033654
-    1SOL     H5    5   0.194543  -0.151640  -0.001859
-    1SOL     H6    6   0.082734  -0.051531   0.018042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038863  -0.032526   0.172370
-    0SOL     H2    2  -0.061086   0.010982   0.254684
-    0SOL     H3    3  -0.099256  -0.106617   0.167320
-    1SOL     O4    4   0.039197   0.030187  -0.178444
-    1SOL     H5    5   0.043975   0.070227  -0.091633
-    1SOL     H6    6   0.112701   0.068255  -0.226510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022398  -0.157898  -0.105795
-    0SOL     H2    2  -0.070508  -0.127919  -0.028665
-    0SOL     H3    3  -0.090433  -0.183778  -0.167955
-    1SOL     O4    4   0.025409   0.151893   0.105518
-    1SOL     H5    5   0.027792   0.213011   0.031889
-    1SOL     H6    6   0.093717   0.183127   0.164854
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018545   0.007506   0.195606
-    0SOL     H2    2  -0.036463  -0.038870   0.132473
-    0SOL     H3    3   0.107921  -0.006241   0.164217
-    1SOL     O4    4  -0.017506  -0.005246  -0.183942
-    1SOL     H5    5   0.000850   0.063477  -0.247994
-    1SOL     H6    6  -0.087170  -0.057319  -0.223912
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016239   0.094930  -0.162054
-    0SOL     H2    2   0.067394   0.151124  -0.220258
-    0SOL     H3    3  -0.002684   0.017058  -0.214400
-    1SOL     O4    4  -0.013849  -0.097694   0.170110
-    1SOL     H5    5  -0.003715  -0.026172   0.107308
-    1SOL     H6    6  -0.100907  -0.084511   0.207653
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044546   0.137385  -0.127585
-    0SOL     H2    2   0.130877   0.160371  -0.093220
-    0SOL     H3    3   0.044061   0.172435  -0.216656
-    1SOL     O4    4  -0.052694  -0.141550   0.136901
-    1SOL     H5    5  -0.100222  -0.151385   0.054398
-    1SOL     H6    6   0.037573  -0.123590   0.110603
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131456  -0.083593  -0.125120
-    0SOL     H2    2   0.059421  -0.022385  -0.140182
-    0SOL     H3    3   0.198485  -0.057809  -0.188403
-    1SOL     O4    4  -0.124864   0.077516   0.125811
-    1SOL     H5    5  -0.166209   0.017681   0.188043
-    1SOL     H6    6  -0.182351   0.154035   0.124276
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124099  -0.044966   0.159089
-    0SOL     H2    2  -0.165641   0.037936   0.182834
-    0SOL     H3    3  -0.038479  -0.042000   0.201783
-    1SOL     O4    4   0.115159   0.038342  -0.163515
-    1SOL     H5    5   0.163703   0.091460  -0.100393
-    1SOL     H6    6   0.181743   0.006953  -0.224700
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082774  -0.072799   0.185842
-    0SOL     H2    2  -0.102223  -0.027612   0.103731
-    0SOL     H3    3  -0.160776  -0.125456   0.203316
-    1SOL     O4    4   0.090789   0.079908  -0.180378
-    1SOL     H5    5   0.130074  -0.002621  -0.151953
-    1SOL     H6    6   0.015270   0.053665  -0.233013
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003350   0.178007  -0.118943
-    0SOL     H2    2  -0.050725   0.106647  -0.161671
-    0SOL     H3    3   0.020216   0.237284  -0.190309
-    1SOL     O4    4   0.006569  -0.182866   0.120828
-    1SOL     H5    5   0.020355  -0.088863   0.109180
-    1SOL     H6    6  -0.041288  -0.190052   0.203413
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054754   0.049538  -0.207116
-    0SOL     H2    2  -0.130352  -0.009165  -0.205985
-    0SOL     H3    3  -0.092167   0.136587  -0.220722
-    1SOL     O4    4   0.056656  -0.052520   0.204047
-    1SOL     H5    5   0.113120   0.024556   0.209829
-    1SOL     H6    6   0.088889  -0.111076   0.272564
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108583  -0.051914  -0.196404
-    0SOL     H2    2   0.021767  -0.058006  -0.156552
-    0SOL     H3    3   0.094571  -0.002150  -0.276961
-    1SOL     O4    4  -0.108099   0.052244   0.195504
-    1SOL     H5    5  -0.062919   0.079453   0.275384
-    1SOL     H6    6  -0.062117  -0.026979   0.167725
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009228  -0.199752  -0.112252
-    0SOL     H2    2  -0.052486  -0.129999  -0.161501
-    0SOL     H3    3  -0.079731  -0.260387  -0.089560
-    1SOL     O4    4   0.011370   0.201735   0.118157
-    1SOL     H5    5   0.066844   0.248411   0.055657
-    1SOL     H6    6   0.023343   0.109272   0.096487
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.158339  -0.154514  -0.078744
-    0SOL     H2    2   0.174180  -0.247682  -0.063540
-    0SOL     H3    3   0.065413  -0.149307  -0.101102
-    1SOL     O4    4  -0.159774   0.155697   0.076989
-    1SOL     H5    5  -0.070952   0.122006   0.088731
-    1SOL     H6    6  -0.153344   0.248579   0.099213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101415   0.063268  -0.229605
-    0SOL     H2    2   0.170384   0.119301  -0.194025
-    0SOL     H3    3   0.028967   0.072123  -0.167676
-    1SOL     O4    4  -0.094872  -0.065816   0.226658
-    1SOL     H5    5  -0.153495  -0.139725   0.242878
-    1SOL     H6    6  -0.147035  -0.004805   0.174514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039248   0.251068   0.018135
-    0SOL     H2    2   0.102673   0.289612  -0.042313
-    0SOL     H3    3   0.081864   0.255573   0.103726
-    1SOL     O4    4  -0.045307  -0.255974  -0.024965
-    1SOL     H5    5  -0.044168  -0.306193   0.056516
-    1SOL     H6    6  -0.041610  -0.164548   0.003140
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128233   0.185854  -0.150900
-    0SOL     H2    2   0.203318   0.204270  -0.207339
-    0SOL     H3    3   0.136743   0.248003  -0.078599
-    1SOL     O4    4  -0.135227  -0.186207   0.155160
-    1SOL     H5    5  -0.160350  -0.276605   0.136203
-    1SOL     H6    6  -0.070022  -0.164916   0.088396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.141579   0.156221  -0.180272
-    0SOL     H2    2   0.139657   0.093988  -0.107570
-    0SOL     H3    3   0.233394   0.182432  -0.187005
-    1SOL     O4    4  -0.150125  -0.150242   0.171580
-    1SOL     H5    5  -0.093709  -0.225550   0.154025
-    1SOL     H6    6  -0.152816  -0.144012   0.267059
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.150517   0.080697   0.217808
-    0SOL     H2    2  -0.233262   0.126508   0.232537
-    0SOL     H3    3  -0.114467   0.121050   0.138851
-    1SOL     O4    4   0.153203  -0.091056  -0.213365
-    1SOL     H5    5   0.219538  -0.039298  -0.259005
-    1SOL     H6    6   0.087488  -0.027070  -0.185983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002921   0.289117   0.012130
-    0SOL     H2    2   0.043851   0.281242  -0.071013
-    0SOL     H3    3  -0.084609   0.241164  -0.001651
-    1SOL     O4    4   0.002589  -0.290166  -0.002288
-    1SOL     H5    5   0.025062  -0.197516   0.006271
-    1SOL     H6    6   0.018370  -0.310267  -0.094533
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.219424  -0.019377  -0.194116
-    0SOL     H2    2   0.128516  -0.038022  -0.217575
-    0SOL     H3    3   0.230567   0.073722  -0.213371
-    1SOL     O4    4  -0.217711   0.020858   0.195558
-    1SOL     H5    5  -0.251489  -0.051018   0.248992
-    1SOL     H6    6  -0.135173  -0.012274   0.160176
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061109  -0.031503  -0.293040
-    0SOL     H2    2  -0.032587  -0.037936  -0.274548
-    0SOL     H3    3   0.101081  -0.099030  -0.238225
-    1SOL     O4    4  -0.053543   0.033428   0.285038
-    1SOL     H5    5  -0.063712   0.015329   0.378480
-    1SOL     H6    6  -0.127041   0.090874   0.263583
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.091069  -0.191276   0.225738
-    0SOL     H2    2   0.068861  -0.182862   0.133011
-    0SOL     H3    3   0.126340  -0.105617   0.249837
-    1SOL     O4    4  -0.090006   0.180665  -0.224951
-    1SOL     H5    5  -0.139036   0.253452  -0.263166
-    1SOL     H6    6  -0.074290   0.207258  -0.134353
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.191965  -0.043530  -0.264144
-    0SOL     H2    2  -0.179993  -0.138128  -0.255769
-    0SOL     H3    3  -0.150615  -0.007085  -0.185885
-    1SOL     O4    4   0.185951   0.047627   0.264166
-    1SOL     H5    5   0.205356   0.101260   0.187295
-    1SOL     H6    6   0.235563  -0.033048   0.250286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.170785   0.049796  -0.290833
-    0SOL     H2    2   0.195745  -0.017663  -0.227677
-    0SOL     H3    3   0.253326   0.091889  -0.314865
-    1SOL     O4    4  -0.177054  -0.056020   0.288716
-    1SOL     H5    5  -0.112732   0.000709   0.331222
-    1SOL     H6    6  -0.238825   0.004392   0.247520
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.164385   0.072060  -0.296400
-    0SOL     H2    2   0.202719   0.007429  -0.237106
-    0SOL     H3    3   0.237206   0.099793  -0.351991
-    1SOL     O4    4  -0.170626  -0.071778   0.302834
-    1SOL     H5    5  -0.121555  -0.002832   0.258104
-    1SOL     H6    6  -0.230346  -0.105810   0.236218
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035255  -0.374931  -0.105163
-    0SOL     H2    2   0.078038  -0.347716  -0.186349
-    0SOL     H3    3   0.052094  -0.303275  -0.043974
-    1SOL     O4    4  -0.038260   0.366185   0.111632
-    1SOL     H5    5  -0.098022   0.354990   0.037703
-    1SOL     H6    6   0.017818   0.439496   0.086272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.251511   0.155438  -0.291009
-    0SOL     H2    2  -0.313715   0.132860  -0.221848
-    0SOL     H3    3  -0.185879   0.209814  -0.247444
-    1SOL     O4    4   0.249932  -0.160570   0.279163
-    1SOL     H5    5   0.211993  -0.172937   0.366168
-    1SOL     H6    6   0.313405  -0.089823   0.290495
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084581   0.413713  -0.020498
-    0SOL     H2    2  -0.008212   0.425225  -0.040973
-    0SOL     H3    3   0.088626   0.330451   0.026549
-    1SOL     O4    4  -0.084727  -0.415097   0.018582
-    1SOL     H5    5  -0.050375  -0.352351  -0.045020
-    1SOL     H6    6  -0.044386  -0.389666   0.101577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077898  -0.154937   0.459260
-    0SOL     H2    2  -0.114376  -0.133684   0.545167
-    0SOL     H3    3  -0.056400  -0.248053   0.464684
-    1SOL     O4    4   0.078144   0.166048  -0.463893
-    1SOL     H5    5   0.052201   0.101693  -0.397956
-    1SOL     H6    6   0.112145   0.113692  -0.536454
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.486067   0.293715  -0.220548
-    0SOL     H2    2  -0.509565   0.378042  -0.181830
-    0SOL     H3    3  -0.424589   0.315738  -0.290532
-    1SOL     O4    4   0.487025  -0.300229   0.217039
-    1SOL     H5    5   0.512618  -0.243086   0.289441
-    1SOL     H6    6   0.404325  -0.339245   0.245337
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.809253  -0.450992   0.025162
-    0SOL     H2    2  -0.817382  -0.381734  -0.040409
-    0SOL     H3    3  -0.716920  -0.476066   0.022265
-    1SOL     O4    4   0.802793   0.443306  -0.024852
-    1SOL     H5    5   0.746629   0.519159  -0.008905
-    1SOL     H6    6   0.884883   0.464458   0.019601
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013762   0.078267   0.102944
-    0SOL     H2    2   0.001140   0.015890   0.031886
-    0SOL     H3    3  -0.044129   0.157763   0.059119
-    1SOL     O4    4   0.012067  -0.076875  -0.091734
-    1SOL     H5    5   0.000221  -0.047036  -0.181909
-    1SOL     H6    6   0.072514  -0.150771  -0.098653
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101166   0.068983   0.045883
-    0SOL     H2    2  -0.008628   0.045361   0.052293
-    0SOL     H3    3  -0.105663   0.128254  -0.029144
-    1SOL     O4    4   0.099037  -0.067103  -0.045985
-    1SOL     H5    5   0.005140  -0.085692  -0.046432
-    1SOL     H6    6   0.133126  -0.117492   0.027914
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074713  -0.022497   0.115263
-    0SOL     H2    2  -0.033801  -0.020685   0.028745
-    0SOL     H3    3  -0.043943   0.057414   0.158038
-    1SOL     O4    4   0.065523   0.021167  -0.109210
-    1SOL     H5    5   0.159573   0.024403  -0.091704
-    1SOL     H6    6   0.056678  -0.041056  -0.181407
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.109723   0.049547   0.066415
-    0SOL     H2    2   0.171101  -0.021531   0.084936
-    0SOL     H3    3   0.039319   0.008077   0.016557
-    1SOL     O4    4  -0.104017  -0.043491  -0.062004
-    1SOL     H5    5  -0.130921  -0.112312  -0.122851
-    1SOL     H6    6  -0.178985   0.015908  -0.058288
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026855  -0.123428  -0.021769
-    0SOL     H2    2  -0.110967  -0.163740  -0.043274
-    0SOL     H3    3   0.038137  -0.189919  -0.044512
-    1SOL     O4    4   0.023175   0.134610   0.025357
-    1SOL     H5    5   0.010976   0.039676   0.026388
-    1SOL     H6    6   0.115901   0.146670   0.004895
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102114  -0.021694  -0.095099
-    0SOL     H2    2  -0.161255   0.042540  -0.055873
-    0SOL     H3    3  -0.020265  -0.011793  -0.046469
-    1SOL     O4    4   0.095648   0.020271   0.087060
-    1SOL     H5    5   0.119499  -0.071453   0.073638
-    1SOL     H6    6   0.163258   0.054324   0.145639
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034551   0.133548   0.019197
-    0SOL     H2    2   0.031642   0.202579   0.015266
-    0SOL     H3    3   0.015622   0.052794   0.030328
-    1SOL     O4    4   0.026798  -0.133202  -0.025762
-    1SOL     H5    5  -0.041000  -0.140746   0.041386
-    1SOL     H6    6   0.107030  -0.114826   0.023101
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080070  -0.103924  -0.009318
-    0SOL     H2    2   0.057640  -0.173339   0.052656
-    0SOL     H3    3   0.174843  -0.111415  -0.020473
-    1SOL     O4    4  -0.082980   0.114084   0.002595
-    1SOL     H5    5  -0.163482   0.092881   0.049841
-    1SOL     H6    6  -0.024864   0.039985   0.019746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078656  -0.108125  -0.015948
-    0SOL     H2    2  -0.094848  -0.181080  -0.075763
-    0SOL     H3    3  -0.014207  -0.141922   0.046232
-    1SOL     O4    4   0.081966   0.113075   0.013292
-    1SOL     H5    5   0.003261   0.058849   0.008058
-    1SOL     H6    6   0.056366   0.187313   0.068024
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017403   0.130284  -0.046220
-    0SOL     H2    2  -0.024542   0.212178  -0.019830
-    0SOL     H3    3  -0.011540   0.066413   0.018934
-    1SOL     O4    4  -0.017815  -0.128516   0.039873
-    1SOL     H5    5  -0.005000  -0.218445   0.009693
-    1SOL     H6    6   0.065234  -0.105029   0.081268
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126889   0.041107  -0.013283
-    0SOL     H2    2  -0.148747   0.132330   0.005769
-    0SOL     H3    3  -0.140681   0.032318  -0.107595
-    1SOL     O4    4   0.128121  -0.051706   0.019375
-    1SOL     H5    5   0.069246   0.023675   0.023107
-    1SOL     H6    6   0.211256  -0.015718  -0.011541
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024502   0.081630   0.112854
-    0SOL     H2    2   0.013583   0.167146   0.132828
-    0SOL     H3    3   0.035034   0.043296   0.048447
-    1SOL     O4    4   0.023614  -0.085182  -0.104591
-    1SOL     H5    5  -0.051567  -0.137844  -0.131739
-    1SOL     H6    6   0.029099  -0.015616  -0.170111
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041594   0.128406  -0.008951
-    0SOL     H2    2   0.088759   0.113930  -0.090977
-    0SOL     H3    3   0.025573   0.222752  -0.006808
-    1SOL     O4    4  -0.048472  -0.136534   0.012788
-    1SOL     H5    5   0.027482  -0.138164  -0.045442
-    1SOL     H6    6  -0.027246  -0.069813   0.078057
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033287  -0.108990  -0.081001
-    0SOL     H2    2  -0.049382  -0.193193  -0.123581
-    0SOL     H3    3  -0.032058  -0.129247   0.012543
-    1SOL     O4    4   0.040837   0.113432   0.077880
-    1SOL     H5    5   0.003259   0.182479   0.132494
-    1SOL     H6    6  -0.032019   0.083558   0.023457
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132128  -0.031020   0.059166
-    0SOL     H2    2  -0.134086  -0.058496  -0.032505
-    0SOL     H3    3  -0.059222  -0.079918   0.097323
-    1SOL     O4    4   0.123689   0.035536  -0.061417
-    1SOL     H5    5   0.213502   0.002694  -0.057255
-    1SOL     H6    6   0.105934   0.068111   0.026821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123083   0.063328   0.034723
-    0SOL     H2    2   0.215888   0.040526   0.040171
-    0SOL     H3    3   0.116150   0.146887   0.080898
-    1SOL     O4    4  -0.133786  -0.064591  -0.041398
-    1SOL     H5    5  -0.115646  -0.048806   0.051252
-    1SOL     H6    6  -0.054714  -0.107258  -0.074404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080292   0.019649   0.119473
-    0SOL     H2    2  -0.069259  -0.075294   0.114329
-    0SOL     H3    3  -0.078483   0.038976   0.213203
-    1SOL     O4    4   0.085708  -0.014613  -0.123167
-    1SOL     H5    5   0.052491  -0.044142  -0.207943
-    1SOL     H6    6   0.007140   0.004606  -0.071980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096535  -0.007519  -0.108566
-    0SOL     H2    2  -0.161529  -0.054464  -0.056277
-    0SOL     H3    3  -0.102952  -0.046709  -0.195660
-    1SOL     O4    4   0.095366   0.009084   0.114471
-    1SOL     H5    5   0.076316   0.017078   0.021008
-    1SOL     H6    6   0.186002   0.038631   0.123102
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055604   0.010262  -0.135178
-    0SOL     H2    2  -0.033707   0.021393  -0.167765
-    0SOL     H3    3   0.090669  -0.063008  -0.185816
-    1SOL     O4    4  -0.049599  -0.001859   0.136695
-    1SOL     H5    5  -0.067689  -0.004633   0.230649
-    1SOL     H6    6  -0.086882  -0.083187   0.102666
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092374   0.120728  -0.013262
-    0SOL     H2    2  -0.034458   0.044648  -0.017734
-    0SOL     H3    3  -0.178330   0.086969  -0.038446
-    1SOL     O4    4   0.096359  -0.108918   0.014167
-    1SOL     H5    5   0.067412  -0.164614  -0.058098
-    1SOL     H6    6   0.085562  -0.163302   0.092194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038426  -0.138296  -0.012157
-    0SOL     H2    2  -0.045377  -0.183831  -0.020274
-    0SOL     H3    3   0.097161  -0.202929   0.027023
-    1SOL     O4    4  -0.039818   0.147618   0.004700
-    1SOL     H5    5  -0.038008   0.055784   0.031637
-    1SOL     H6    6   0.010192   0.193431   0.072246
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001434  -0.127582   0.082157
-    0SOL     H2    2  -0.081953  -0.174432   0.060154
-    0SOL     H3    3   0.043558  -0.116538  -0.001605
-    1SOL     O4    4   0.000793   0.133287  -0.079847
-    1SOL     H5    5   0.068174   0.067376  -0.096513
-    1SOL     H6    6  -0.009685   0.133370   0.015298
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035106  -0.148362   0.023432
-    0SOL     H2    2   0.024127  -0.053300   0.021188
-    0SOL     H3    3   0.127271  -0.162394   0.001727
-    1SOL     O4    4  -0.035405   0.137915  -0.020842
-    1SOL     H5    5  -0.125305   0.148822   0.010164
-    1SOL     H6    6  -0.017322   0.217688  -0.070559
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093850   0.074022   0.085893
-    0SOL     H2    2  -0.152931   0.114853   0.149175
-    0SOL     H3    3  -0.044432   0.147035   0.048620
-    1SOL     O4    4   0.091522  -0.084430  -0.090485
-    1SOL     H5    5   0.127175  -0.000869  -0.120631
-    1SOL     H6    6   0.106590  -0.084248   0.004042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022713  -0.077790  -0.132021
-    0SOL     H2    2   0.023256  -0.057836  -0.038406
-    0SOL     H3    3   0.079435  -0.154420  -0.140555
-    1SOL     O4    4  -0.026512   0.081130   0.120318
-    1SOL     H5    5   0.042461   0.117476   0.175852
-    1SOL     H6    6  -0.089607   0.043710   0.181808
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119792  -0.012190   0.090126
-    0SOL     H2    2  -0.174609  -0.083018   0.123904
-    0SOL     H3    3  -0.045397  -0.008661   0.150253
-    1SOL     O4    4   0.124128   0.016822  -0.091661
-    1SOL     H5    5   0.119403  -0.034581  -0.172270
-    1SOL     H6    6   0.035252   0.050104  -0.079178
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.087901  -0.021693  -0.132683
-    0SOL     H2    2  -0.103659  -0.009877  -0.039011
-    0SOL     H3    3  -0.003456  -0.066521  -0.137346
-    1SOL     O4    4   0.080610   0.018035   0.124198
-    1SOL     H5    5   0.172007   0.044126   0.135519
-    1SOL     H6    6   0.030171   0.091666   0.158792
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006594  -0.069949   0.144782
-    0SOL     H2    2   0.016378  -0.123611   0.066124
-    0SOL     H3    3  -0.061955  -0.006968   0.122493
-    1SOL     O4    4  -0.006408   0.065743  -0.135435
-    1SOL     H5    5   0.078416   0.109317  -0.127161
-    1SOL     H6    6  -0.036469   0.088262  -0.223478
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131662  -0.087448   0.018971
-    0SOL     H2    2   0.103455  -0.171167   0.055818
-    0SOL     H3    3   0.065384  -0.024844   0.048131
-    1SOL     O4    4  -0.122145   0.084610  -0.023921
-    1SOL     H5    5  -0.114780   0.165414   0.026861
-    1SOL     H6    6  -0.215027   0.078702  -0.046286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110980   0.045328  -0.099601
-    0SOL     H2    2   0.038123   0.094855  -0.062167
-    0SOL     H3    3   0.110944   0.068995  -0.192349
-    1SOL     O4    4  -0.109265  -0.047412   0.097694
-    1SOL     H5    5  -0.118755  -0.009787   0.185197
-    1SOL     H6    6  -0.054925  -0.125123   0.110750
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.145618  -0.065030   0.005912
-    0SOL     H2    2   0.196757  -0.051901   0.085754
-    0SOL     H3    3   0.059401  -0.028857   0.026415
-    1SOL     O4    4  -0.144020   0.055378  -0.011345
-    1SOL     H5    5  -0.135932   0.111363  -0.088563
-    1SOL     H6    6  -0.144565   0.116279   0.062501
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044403  -0.025714  -0.151522
-    0SOL     H2    2   0.077951  -0.059356  -0.068426
-    0SOL     H3    3  -0.018786  -0.091590  -0.180327
-    1SOL     O4    4  -0.043449   0.025372   0.151803
-    1SOL     H5    5  -0.030061   0.113102   0.187670
-    1SOL     H6    6  -0.044742   0.038163   0.056950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012120  -0.130477  -0.103510
-    0SOL     H2    2  -0.093530  -0.083218  -0.120870
-    0SOL     H3    3   0.042483  -0.067658  -0.056237
-    1SOL     O4    4   0.011794   0.119049   0.104717
-    1SOL     H5    5   0.099367   0.157330   0.099446
-    1SOL     H6    6  -0.043222   0.177757   0.052862
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016637  -0.067578   0.145369
-    0SOL     H2    2   0.006038  -0.089830   0.052876
-    0SOL     H3    3  -0.007885  -0.147370   0.192212
-    1SOL     O4    4  -0.017203   0.066754  -0.142561
-    1SOL     H5    5   0.072923   0.093246  -0.124183
-    1SOL     H6    6  -0.060607   0.147271  -0.170765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.155058   0.023456  -0.000916
-    0SOL     H2    2  -0.212935  -0.029851  -0.055422
-    0SOL     H3    3  -0.181948   0.113639  -0.018418
-    1SOL     O4    4   0.164390  -0.021278   0.005662
-    1SOL     H5    5   0.131640  -0.082873   0.071205
-    1SOL     H6    6   0.110707  -0.037896  -0.071826
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.105613  -0.081225  -0.084677
-    0SOL     H2    2  -0.154188  -0.069988  -0.166387
-    0SOL     H3    3  -0.032733  -0.138807  -0.107808
-    1SOL     O4    4   0.101102   0.081104   0.096604
-    1SOL     H5    5   0.064341   0.128118   0.021767
-    1SOL     H6    6   0.195140   0.077818   0.079042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071455  -0.139089   0.009677
-    0SOL     H2    2   0.081642  -0.200452   0.082431
-    0SOL     H3    3   0.059809  -0.194818  -0.067270
-    1SOL     O4    4  -0.073877   0.150487  -0.014129
-    1SOL     H5    5  -0.121158   0.115068   0.061186
-    1SOL     H6    6   0.011262   0.106807  -0.011724
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102399   0.095966   0.076587
-    0SOL     H2    2   0.093681   0.187080   0.104597
-    0SOL     H3    3   0.066299   0.045001   0.149124
-    1SOL     O4    4  -0.100550  -0.094641  -0.088812
-    1SOL     H5    5  -0.018064  -0.105253  -0.041422
-    1SOL     H6    6  -0.165024  -0.141121  -0.035472
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035513  -0.136760  -0.073141
-    0SOL     H2    2  -0.001509  -0.189555  -0.143883
-    0SOL     H3    3   0.025591  -0.191069   0.005054
-    1SOL     O4    4  -0.036559   0.147980   0.071566
-    1SOL     H5    5  -0.047097   0.070463   0.126725
-    1SOL     H6    6   0.050315   0.138086   0.032613
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.087148  -0.046295   0.140403
-    0SOL     H2    2   0.093037  -0.024102   0.047478
-    0SOL     H3    3   0.014570  -0.108480   0.145672
-    1SOL     O4    4  -0.079291   0.044373  -0.139123
-    1SOL     H5    5  -0.064902   0.135208  -0.112584
-    1SOL     H6    6  -0.160398   0.019054  -0.095044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068751  -0.059485  -0.144348
-    0SOL     H2    2  -0.015663  -0.060323  -0.099227
-    0SOL     H3    3   0.069162  -0.140080  -0.195987
-    1SOL     O4    4  -0.057764   0.060842   0.144576
-    1SOL     H5    5  -0.078863   0.142019   0.190700
-    1SOL     H6    6  -0.140177   0.034324   0.103745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033057   0.102775   0.139283
-    0SOL     H2    2  -0.105378   0.143294   0.091427
-    0SOL     H3    3   0.025981   0.070851   0.071035
-    1SOL     O4    4   0.032035  -0.109429  -0.131721
-    1SOL     H5    5   0.116298  -0.066951  -0.115668
-    1SOL     H6    6  -0.023430  -0.040022  -0.167337
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024505  -0.159064  -0.040143
-    0SOL     H2    2   0.023262  -0.152139  -0.122803
-    0SOL     H3    3  -0.054801  -0.249824  -0.037464
-    1SOL     O4    4   0.022166   0.167900   0.049194
-    1SOL     H5    5   0.085596   0.096270   0.052071
-    1SOL     H6    6  -0.012748   0.165474  -0.039898
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094929  -0.145589  -0.003796
-    0SOL     H2    2  -0.165027  -0.145904   0.061385
-    0SOL     H3    3  -0.098120  -0.057901  -0.042046
-    1SOL     O4    4   0.094566   0.141146  -0.002730
-    1SOL     H5    5   0.163140   0.203917   0.020064
-    1SOL     H6    6   0.106894   0.068777   0.058695
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045437   0.118992   0.120134
-    0SOL     H2    2   0.021238   0.036717   0.077618
-    0SOL     H3    3   0.088102   0.092290   0.201553
-    1SOL     O4    4  -0.045761  -0.106563  -0.118209
-    1SOL     H5    5   0.007755  -0.185920  -0.119154
-    1SOL     H6    6  -0.112981  -0.122157  -0.184545
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076314  -0.127874  -0.082847
-    0SOL     H2    2   0.134214  -0.076464  -0.139123
-    0SOL     H3    3   0.055705  -0.205822  -0.134438
-    1SOL     O4    4  -0.082373   0.134541   0.089035
-    1SOL     H5    5  -0.049831   0.086371   0.012989
-    1SOL     H6    6  -0.046975   0.087244   0.164350
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.166745   0.031464   0.040316
-    0SOL     H2    2   0.247676   0.051401  -0.006748
-    0SOL     H3    3   0.113530   0.110492   0.031093
-    1SOL     O4    4  -0.170296  -0.039634  -0.042801
-    1SOL     H5    5  -0.111656   0.033142  -0.022128
-    1SOL     H6    6  -0.201651  -0.070121   0.042345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.133384   0.083628  -0.076884
-    0SOL     H2    2  -0.216225   0.051063  -0.041681
-    0SOL     H3    3  -0.110000   0.156639  -0.019569
-    1SOL     O4    4   0.136856  -0.081076   0.076919
-    1SOL     H5    5   0.084058  -0.084156  -0.002864
-    1SOL     H6    6   0.195019  -0.156796   0.070144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077085  -0.045918  -0.166031
-    0SOL     H2    2  -0.003812   0.011470  -0.188390
-    0SOL     H3    3  -0.045014  -0.098288  -0.092607
-    1SOL     O4    4   0.068943   0.050178   0.159353
-    1SOL     H5    5   0.094267  -0.039715   0.138370
-    1SOL     H6    6   0.082529   0.057509   0.253820
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083036  -0.089922  -0.133017
-    0SOL     H2    2   0.130856  -0.167528  -0.162220
-    0SOL     H3    3   0.146828  -0.040322  -0.081708
-    1SOL     O4    4  -0.087389   0.085856   0.133651
-    1SOL     H5    5  -0.141317   0.108499   0.057879
-    1SOL     H6    6  -0.067287   0.169919   0.174781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047131   0.087777  -0.158097
-    0SOL     H2    2   0.050220   0.038253  -0.239951
-    0SOL     H3    3  -0.004864   0.033284  -0.099026
-    1SOL     O4    4  -0.038416  -0.080543   0.157789
-    1SOL     H5    5  -0.082705  -0.165390   0.159113
-    1SOL     H6    6  -0.103771  -0.018840   0.190708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148624  -0.075502  -0.087355
-    0SOL     H2    2   0.237539  -0.093433  -0.056778
-    0SOL     H3    3   0.114957  -0.010027  -0.026184
-    1SOL     O4    4  -0.152536   0.073592   0.075872
-    1SOL     H5    5  -0.215569   0.045672   0.142277
-    1SOL     H6    6  -0.071149   0.087381   0.124331
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115172   0.079023   0.129884
-    0SOL     H2    2  -0.033947   0.087196   0.179863
-    0SOL     H3    3  -0.122407  -0.014532   0.110978
-    1SOL     O4    4   0.115925  -0.070281  -0.133182
-    1SOL     H5    5   0.078125  -0.084821  -0.046452
-    1SOL     H6    6   0.069370  -0.131455  -0.190215
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117141   0.151703   0.025828
-    0SOL     H2    2   0.056167   0.194093   0.086223
-    0SOL     H3    3   0.065981   0.137362  -0.053792
-    1SOL     O4    4  -0.108557  -0.147717  -0.027641
-    1SOL     H5    5  -0.060353  -0.208787   0.028118
-    1SOL     H6    6  -0.196377  -0.185254  -0.034031
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.184603   0.050872   0.005058
-    0SOL     H2    2  -0.243384   0.109091  -0.043083
-    0SOL     H3    3  -0.213290  -0.037277  -0.018800
-    1SOL     O4    4   0.192580  -0.045044   0.003664
-    1SOL     H5    5   0.168528  -0.137239   0.012821
-    1SOL     H6    6   0.167131  -0.022373  -0.085783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001775  -0.013401   0.207715
-    0SOL     H2    2   0.063869  -0.017266   0.134970
-    0SOL     H3    3  -0.059292  -0.085186   0.190981
-    1SOL     O4    4   0.000613   0.019018  -0.209081
-    1SOL     H5    5  -0.084798  -0.019002  -0.188543
-    1SOL     H6    6   0.042735   0.030806  -0.123939
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.167321  -0.013466  -0.114624
-    0SOL     H2    2   0.184802  -0.097149  -0.157680
-    0SOL     H3    3   0.106396   0.031417  -0.173241
-    1SOL     O4    4  -0.160388   0.019229   0.115766
-    1SOL     H5    5  -0.222394  -0.051012   0.096171
-    1SOL     H6    6  -0.166503   0.030881   0.210577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039666   0.168129  -0.110662
-    0SOL     H2    2  -0.008254   0.094059  -0.147804
-    0SOL     H3    3  -0.018585   0.243061  -0.123093
-    1SOL     O4    4  -0.030486  -0.164098   0.116515
-    1SOL     H5    5  -0.044570  -0.169877   0.022014
-    1SOL     H6    6  -0.069649  -0.244104   0.151553
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051102   0.186430   0.084514
-    0SOL     H2    2  -0.032217   0.229067   0.064454
-    0SOL     H3    3   0.033828   0.093071   0.072345
-    1SOL     O4    4  -0.041953  -0.183742  -0.076878
-    1SOL     H5    5  -0.079574  -0.105068  -0.116342
-    1SOL     H6    6  -0.060915  -0.253487  -0.139635
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048000  -0.130913   0.156263
-    0SOL     H2    2  -0.133437  -0.169214   0.136364
-    0SOL     H3    3   0.004766  -0.148122   0.078276
-    1SOL     O4    4   0.043686   0.130058  -0.148900
-    1SOL     H5    5   0.053019   0.198207  -0.215465
-    1SOL     H6    6   0.128272   0.128504  -0.104122
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030170   0.195029   0.061576
-    0SOL     H2    2   0.037106   0.232709   0.149293
-    0SOL     H3    3  -0.063980   0.187083   0.046246
-    1SOL     O4    4  -0.023471  -0.202194  -0.063545
-    1SOL     H5    5   0.021746  -0.118392  -0.073286
-    1SOL     H6    6  -0.111963  -0.185638  -0.096061
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.147352   0.171988  -0.062483
-    0SOL     H2    2  -0.071324   0.211142  -0.105485
-    0SOL     H3    3  -0.126093   0.078866  -0.056266
-    1SOL     O4    4   0.146767  -0.165636   0.060681
-    1SOL     H5    5   0.138825  -0.170462   0.155949
-    1SOL     H6    6   0.072706  -0.216595   0.027813
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.164471   0.087873   0.138979
-    0SOL     H2    2  -0.222295   0.117895   0.068855
-    0SOL     H3    3  -0.223499   0.066315   0.211182
-    1SOL     O4    4   0.175643  -0.087994  -0.134423
-    1SOL     H5    5   0.115382  -0.019016  -0.162226
-    1SOL     H6    6   0.154684  -0.162375  -0.190908
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.230215  -0.031516  -0.073263
-    0SOL     H2    2  -0.204891  -0.123055  -0.085161
-    0SOL     H3    3  -0.147231   0.016036  -0.069414
-    1SOL     O4    4   0.217707   0.032904   0.073633
-    1SOL     H5    5   0.273213   0.060014   0.000514
-    1SOL     H6    6   0.276789   0.030194   0.148895
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050745   0.166175  -0.169305
-    0SOL     H2    2  -0.101232   0.084942  -0.173101
-    0SOL     H3    3  -0.035037   0.188974  -0.260934
-    1SOL     O4    4   0.051296  -0.168180   0.170923
-    1SOL     H5    5   0.007053  -0.147042   0.253131
-    1SOL     H6    6   0.116253  -0.098715   0.160078
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.250757   0.012757  -0.051163
-    0SOL     H2    2   0.209694   0.062241  -0.122068
-    0SOL     H3    3   0.180520  -0.000820   0.012434
-    1SOL     O4    4  -0.245891  -0.019037   0.046026
-    1SOL     H5    5  -0.276954   0.070569   0.058997
-    1SOL     H6    6  -0.192639  -0.037416   0.123413
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011613   0.102703  -0.231146
-    0SOL     H2    2   0.012010   0.129617  -0.142378
-    0SOL     H3    3   0.054891   0.143023  -0.286948
-    1SOL     O4    4   0.005305  -0.100329   0.227810
-    1SOL     H5    5   0.026365  -0.145123   0.309739
-    1SOL     H6    6   0.003870  -0.169912   0.162096
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050254   0.037830   0.252653
-    0SOL     H2    2  -0.015451   0.026372   0.321311
-    0SOL     H3    3   0.106257  -0.039459   0.259891
-    1SOL     O4    4  -0.046860  -0.035093  -0.262175
-    1SOL     H5    5  -0.067609  -0.097226  -0.192380
-    1SOL     H6    6  -0.077112   0.049393  -0.228869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033979   0.250361  -0.093166
-    0SOL     H2    2  -0.044814   0.165527  -0.050178
-    0SOL     H3    3   0.012657   0.230356  -0.174328
-    1SOL     O4    4   0.035135  -0.250810   0.091189
-    1SOL     H5    5   0.063742  -0.215657   0.175499
-    1SOL     H6    6  -0.038004  -0.194716   0.065371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.210475   0.122253   0.129098
-    0SOL     H2    2  -0.300341   0.135856   0.099077
-    0SOL     H3    3  -0.217098   0.051738   0.193489
-    1SOL     O4    4   0.220288  -0.118805  -0.126028
-    1SOL     H5    5   0.218975  -0.064211  -0.204641
-    1SOL     H6    6   0.143818  -0.175671  -0.135022
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.182688   0.051556  -0.239349
-    0SOL     H2    2   0.240238  -0.014011  -0.199962
-    0SOL     H3    3   0.219872   0.135498  -0.212265
-    1SOL     O4    4  -0.183879  -0.055346   0.230715
-    1SOL     H5    5  -0.195089   0.036295   0.255983
-    1SOL     H6    6  -0.243140  -0.103563   0.288383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.157089  -0.195372   0.205431
-    0SOL     H2    2  -0.226299  -0.136235   0.175848
-    0SOL     H3    3  -0.083776  -0.177942   0.146408
-    1SOL     O4    4   0.154898   0.187386  -0.205294
-    1SOL     H5    5   0.172488   0.281462  -0.203665
-    1SOL     H6    6   0.168840   0.158797  -0.115014
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.280589  -0.006974  -0.156799
-    0SOL     H2    2  -0.200029   0.032905  -0.189694
-    0SOL     H3    3  -0.278164  -0.096763  -0.189880
-    1SOL     O4    4   0.274729   0.004444   0.165134
-    1SOL     H5    5   0.355701   0.053827   0.152199
-    1SOL     H6    6   0.214801   0.038838   0.098892
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056784   0.084195  -0.311419
-    0SOL     H2    2   0.127403   0.023712  -0.288679
-    0SOL     H3    3   0.081452   0.166695  -0.269617
-    1SOL     O4    4  -0.058724  -0.088004   0.311280
-    1SOL     H5    5  -0.146396  -0.053859   0.328888
-    1SOL     H6    6  -0.048745  -0.080708   0.216361
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.321849   0.025927   0.003142
-    0SOL     H2    2   0.303182   0.073521  -0.077782
-    0SOL     H3    3   0.417410   0.022454   0.007442
-    1SOL     O4    4  -0.329557  -0.023712  -0.000992
-    1SOL     H5    5  -0.264492  -0.021608   0.069182
-    1SOL     H6    6  -0.340023  -0.116680  -0.021236
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-    6
-    0SOL     O1    1  -0.293391  -0.121829  -0.088504
-    0SOL     H2    2  -0.291198  -0.217198  -0.080618
-    0SOL     H3    3  -0.384510  -0.098381  -0.070902
-    1SOL     O4    4   0.298993   0.124488   0.081772
-    1SOL     H5    5   0.222092   0.118422   0.138445
-    1SOL     H6    6   0.365212   0.167700   0.135717
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.008117  -0.349797   0.086612
-    0SOL     H2    2   0.028792  -0.408667   0.020776
-    0SOL     H3    3  -0.032460  -0.271251   0.037620
-    1SOL     O4    4   0.010660   0.354051  -0.078873
-    1SOL     H5    5  -0.034966   0.293935  -0.019994
-    1SOL     H6    6  -0.001599   0.316269  -0.165962
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.336838   0.064264   0.119286
-    0SOL     H2    2   0.302817   0.137244   0.067529
-    0SOL     H3    3   0.393362   0.016231   0.058786
-    1SOL     O4    4  -0.340791  -0.066700  -0.106732
-    1SOL     H5    5  -0.388899  -0.049809  -0.187742
-    1SOL     H6    6  -0.248700  -0.065483  -0.132811
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.249467  -0.268193   0.073695
-    0SOL     H2    2   0.159517  -0.285569   0.101435
-    0SOL     H3    3   0.287170  -0.354908   0.058823
-    1SOL     O4    4  -0.242756   0.274371  -0.078781
-    1SOL     H5    5  -0.219838   0.248316   0.010428
-    1SOL     H6    6  -0.338236   0.281100  -0.078038
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.377729  -0.143801   0.110063
-    0SOL     H2    2  -0.287009  -0.169556   0.093664
-    0SOL     H3    3  -0.429188  -0.197501   0.049808
-    1SOL     O4    4   0.378607   0.143044  -0.102629
-    1SOL     H5    5   0.350912   0.223737  -0.059224
-    1SOL     H6    6   0.352796   0.154888  -0.194040
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.232524   0.372108  -0.205818
-    0SOL     H2    2   0.167499   0.441561  -0.195309
-    0SOL     H3    3   0.276298   0.367158  -0.120837
-    1SOL     O4    4  -0.232692  -0.371170   0.195016
-    1SOL     H5    5  -0.289099  -0.438476   0.233101
-    1SOL     H6    6  -0.148900  -0.381776   0.240057
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.356225   0.256402   0.232550
-    0SOL     H2    2  -0.402701   0.340056   0.234639
-    0SOL     H3    3  -0.421855   0.193212   0.203188
-    1SOL     O4    4   0.366487  -0.261072  -0.227624
-    1SOL     H5    5   0.272790  -0.251263  -0.210685
-    1SOL     H6    6   0.383032  -0.205585  -0.303846
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037578   0.487414   0.096266
-    0SOL     H2    2  -0.086263   0.465581   0.175736
-    0SOL     H3    3   0.009298   0.567936   0.118200
-    1SOL     O4    4   0.034214  -0.487519  -0.105681
-    1SOL     H5    5   0.069288  -0.575997  -0.115870
-    1SOL     H6    6   0.064342  -0.459568  -0.019233
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.368808   0.097341  -0.348102
-    0SOL     H2    2  -0.362304   0.105276  -0.252933
-    0SOL     H3    3  -0.389435   0.185831  -0.378207
-    1SOL     O4    4   0.366336  -0.099418   0.348828
-    1SOL     H5    5   0.328117  -0.146356   0.274677
-    1SOL     H6    6   0.460579  -0.113897   0.340399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.443511   0.097646  -0.249366
-    0SOL     H2    2   0.536489   0.119638  -0.243550
-    0SOL     H3    3   0.409793   0.112375  -0.161000
-    1SOL     O4    4  -0.447279  -0.101752   0.239057
-    1SOL     H5    5  -0.392112  -0.028060   0.265294
-    1SOL     H6    6  -0.487457  -0.131861   0.320553
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.325848  -0.405729  -0.066361
-    0SOL     H2    2  -0.381626  -0.386742   0.009075
-    0SOL     H3    3  -0.386600  -0.434583  -0.134471
-    1SOL     O4    4   0.327705   0.403933   0.066370
-    1SOL     H5    5   0.409661   0.372689   0.104701
-    1SOL     H6    6   0.351394   0.485542   0.022312
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.327390   0.435000  -0.111179
-    0SOL     H2    2   0.285051   0.365168  -0.061247
-    0SOL     H3    3   0.271386   0.447015  -0.187870
-    1SOL     O4    4  -0.327487  -0.429444   0.111640
-    1SOL     H5    5  -0.253243  -0.388472   0.156041
-    1SOL     H6    6  -0.296709  -0.517350   0.089556
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.541944  -0.031723  -0.196601
-    0SOL     H2    2   0.517848   0.040452  -0.254674
-    0SOL     H3    3   0.538650   0.006063  -0.108716
-    1SOL     O4    4  -0.539743   0.026565   0.201754
-    1SOL     H5    5  -0.476136  -0.012342   0.141732
-    1SOL     H6    6  -0.616387   0.044388   0.147253
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.650277  -0.020654   0.244243
-    0SOL     H2    2  -0.566429   0.008620   0.279948
-    0SOL     H3    3  -0.660873  -0.109678   0.277779
-    1SOL     O4    4   0.648445   0.024319  -0.241021
-    1SOL     H5    5   0.703351  -0.007338  -0.312753
-    1SOL     H6    6   0.563724   0.042302  -0.281781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.355539   0.323285   0.556439
-    0SOL     H2    2  -0.339818   0.241970   0.508448
-    0SOL     H3    3  -0.268094   0.355822   0.577820
-    1SOL     O4    4   0.353788  -0.325746  -0.554553
-    1SOL     H5    5   0.385406  -0.236369  -0.541351
-    1SOL     H6    6   0.259616  -0.316046  -0.568686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068705  -0.047309   0.087318
-    0SOL     H2    2  -0.134131  -0.097943   0.135463
-    0SOL     H3    3   0.009675  -0.051101   0.142130
-    1SOL     O4    4   0.073922   0.049003  -0.097182
-    1SOL     H5    5   0.034054  -0.004216  -0.028329
-    1SOL     H6    6   0.018101   0.126549  -0.102929
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052216   0.069367   0.101953
-    0SOL     H2    2  -0.052860   0.019949   0.019979
-    0SOL     H3    3  -0.113874   0.141087   0.087223
-    1SOL     O4    4   0.056089  -0.069906  -0.089017
-    1SOL     H5    5   0.015250  -0.141099  -0.138272
-    1SOL     H6    6   0.093568  -0.012765  -0.156044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084091   0.054708  -0.092068
-    0SOL     H2    2   0.023452   0.025393  -0.024054
-    0SOL     H3    3   0.041432   0.030562  -0.174284
-    1SOL     O4    4  -0.074281  -0.045959   0.092925
-    1SOL     H5    5  -0.159603  -0.055685   0.050642
-    1SOL     H6    6  -0.056903  -0.131643   0.131895
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055413   0.124168   0.011899
-    0SOL     H2    2   0.120238   0.123545  -0.058526
-    0SOL     H3    3   0.035098   0.031797   0.026635
-    1SOL     O4    4  -0.056759  -0.116484  -0.002655
-    1SOL     H5    5  -0.004640  -0.184560  -0.045216
-    1SOL     H6    6  -0.125289  -0.095532  -0.066113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006652   0.058164   0.113158
-    0SOL     H2    2   0.067089   0.048849   0.173472
-    0SOL     H3    3  -0.044883   0.143171   0.134941
-    1SOL     O4    4   0.009082  -0.062500  -0.123671
-    1SOL     H5    5  -0.075796  -0.106327  -0.117581
-    1SOL     H6    6   0.020703  -0.020733  -0.038331
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005696   0.130852  -0.013338
-    0SOL     H2    2   0.027146   0.166458  -0.095896
-    0SOL     H3    3   0.053512   0.165955   0.053179
-    1SOL     O4    4   0.006627  -0.136402   0.011167
-    1SOL     H5    5  -0.061225  -0.188241   0.054425
-    1SOL     H6    6  -0.022041  -0.045696   0.021795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016651  -0.028063  -0.130563
-    0SOL     H2    2   0.027555   0.020306  -0.212440
-    0SOL     H3    3   0.065787   0.022698  -0.065977
-    1SOL     O4    4  -0.022454   0.016912   0.126757
-    1SOL     H5    5  -0.029267   0.112000   0.118147
-    1SOL     H6    6   0.020742   0.003487   0.211115
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061649   0.114782  -0.010302
-    0SOL     H2    2  -0.061416   0.134942  -0.103874
-    0SOL     H3    3  -0.150508   0.135650   0.018523
-    1SOL     O4    4   0.070284  -0.120508   0.019434
-    1SOL     H5    5   0.085724  -0.133798  -0.074093
-    1SOL     H6    6   0.004178  -0.051387   0.023261
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040256   0.079257  -0.111997
-    0SOL     H2    2  -0.111723   0.016236  -0.102883
-    0SOL     H3    3   0.000364   0.082173  -0.025372
-    1SOL     O4    4   0.037386  -0.072807   0.109289
-    1SOL     H5    5   0.126506  -0.039737   0.098049
-    1SOL     H6    6   0.033885  -0.151378   0.054730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099663   0.055904   0.064524
-    0SOL     H2    2   0.193531   0.061045   0.046506
-    0SOL     H3    3   0.083646   0.125372   0.128397
-    1SOL     O4    4  -0.106899  -0.056988  -0.072043
-    1SOL     H5    5  -0.014381  -0.045508  -0.050344
-    1SOL     H6    6  -0.139669  -0.117962  -0.005932
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074825  -0.085371  -0.072164
-    0SOL     H2    2  -0.061418  -0.159756  -0.130895
-    0SOL     H3    3  -0.112792  -0.017383  -0.127827
-    1SOL     O4    4   0.082240   0.086849   0.080737
-    1SOL     H5    5   0.020311   0.155779   0.056742
-    1SOL     H6    6   0.036263   0.005287   0.060834
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057267  -0.064541  -0.109764
-    0SOL     H2    2  -0.010643  -0.002848  -0.082478
-    0SOL     H3    3   0.059726  -0.056884  -0.205145
-    1SOL     O4    4  -0.050201   0.063707   0.108797
-    1SOL     H5    5  -0.016655   0.020966   0.187602
-    1SOL     H6    6  -0.144683   0.048641   0.111695
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125174   0.010948   0.069516
-    0SOL     H2    2   0.189720   0.015412  -0.001026
-    0SOL     H3    3   0.041398  -0.000655   0.024691
-    1SOL     O4    4  -0.119028  -0.005752  -0.058599
-    1SOL     H5    5  -0.110499  -0.036940  -0.148693
-    1SOL     H6    6  -0.199149  -0.047051  -0.026391
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001884  -0.138176   0.003581
-    0SOL     H2    2  -0.086093  -0.179017   0.023658
-    0SOL     H3    3   0.014555  -0.160825  -0.087957
-    1SOL     O4    4   0.007360   0.146341   0.006033
-    1SOL     H5    5  -0.023926   0.173809  -0.080158
-    1SOL     H6    6   0.013961   0.051045  -0.000080
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078211   0.048007  -0.115694
-    0SOL     H2    2   0.013185   0.041169  -0.045786
-    0SOL     H3    3   0.161352   0.060661  -0.069982
-    1SOL     O4    4  -0.079727  -0.042609   0.105074
-    1SOL     H5    5  -0.064997  -0.133377   0.078497
-    1SOL     H6    6  -0.087196  -0.046432   0.200426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017105   0.070771  -0.130146
-    0SOL     H2    2  -0.045387   0.133036  -0.092997
-    0SOL     H3    3   0.013283  -0.004877  -0.071621
-    1SOL     O4    4  -0.014781  -0.066722   0.118301
-    1SOL     H5    5   0.056857  -0.128184   0.134194
-    1SOL     H6    6  -0.059076  -0.059121   0.202814
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.023697   0.092975   0.111959
-    0SOL     H2    2   0.071352   0.085545   0.120489
-    0SOL     H3    3  -0.055241   0.002671   0.115485
-    1SOL     O4    4   0.024767  -0.088505  -0.117115
-    1SOL     H5    5   0.021909  -0.016533  -0.054074
-    1SOL     H6    6  -0.056774  -0.136461  -0.102501
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009273  -0.062205   0.134553
-    0SOL     H2    2   0.096332  -0.101824   0.130892
-    0SOL     H3    3   0.004206  -0.008079   0.055769
-    1SOL     O4    4  -0.015224   0.061106  -0.123085
-    1SOL     H5    5  -0.023815  -0.011391  -0.184994
-    1SOL     H6    6   0.011755   0.135537  -0.176884
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091624   0.106051  -0.030542
-    0SOL     H2    2  -0.080219   0.032436  -0.090651
-    0SOL     H3    3  -0.184863   0.127065  -0.035753
-    1SOL     O4    4   0.100528  -0.102611   0.028837
-    1SOL     H5    5   0.048439  -0.178843   0.054092
-    1SOL     H6    6   0.081230  -0.037079   0.095885
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140269   0.044685  -0.031952
-    0SOL     H2    2   0.141236   0.130476   0.010491
-    0SOL     H3    3   0.049432   0.015375  -0.024762
-    1SOL     O4    4  -0.133338  -0.042180   0.031600
-    1SOL     H5    5  -0.188075  -0.055697  -0.045753
-    1SOL     H6    6  -0.107296  -0.130342   0.058275
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047642   0.118787  -0.079633
-    0SOL     H2    2  -0.007647   0.044974  -0.033652
-    0SOL     H3    3  -0.123371   0.081013  -0.124360
-    1SOL     O4    4   0.043269  -0.109641   0.076767
-    1SOL     H5    5   0.086611  -0.088931   0.159560
-    1SOL     H6    6   0.098775  -0.176543   0.036699
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110532   0.005326  -0.100168
-    0SOL     H2    2   0.198930  -0.008816  -0.066284
-    0SOL     H3    3   0.053288  -0.009909  -0.024979
-    1SOL     O4    4  -0.110602  -0.001243   0.088897
-    1SOL     H5    5  -0.159822   0.043779   0.157547
-    1SOL     H6    6  -0.095963  -0.089228   0.123633
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020294  -0.119225  -0.073860
-    0SOL     H2    2  -0.011978  -0.137996  -0.167353
-    0SOL     H3    3   0.005116  -0.200774  -0.030657
-    1SOL     O4    4   0.021886   0.122640   0.082366
-    1SOL     H5    5   0.027689   0.083905  -0.004974
-    1SOL     H6    6  -0.040275   0.194764   0.072550
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071605  -0.107801   0.059054
-    0SOL     H2    2   0.070641  -0.147408   0.146190
-    0SOL     H3    3   0.163337  -0.111601   0.031978
-    1SOL     O4    4  -0.082811   0.113550  -0.061435
-    1SOL     H5    5  -0.009748   0.142278  -0.116197
-    1SOL     H6    6  -0.054683   0.029083  -0.026271
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011614  -0.007078   0.147295
-    0SOL     H2    2   0.103599  -0.019151   0.123730
-    0SOL     H3    3   0.011204   0.070423   0.203471
-    1SOL     O4    4  -0.016331  -0.002201  -0.153600
-    1SOL     H5    5  -0.004771   0.089763  -0.177500
-    1SOL     H6    6  -0.040496  -0.000078  -0.061004
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066444  -0.102815  -0.090986
-    0SOL     H2    2   0.006062  -0.048868  -0.059444
-    0SOL     H3    3  -0.028496  -0.155107  -0.161610
-    1SOL     O4    4   0.061201   0.097831   0.089662
-    1SOL     H5    5  -0.005110   0.104184   0.158398
-    1SOL     H6    6   0.106632   0.182042   0.092286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106656  -0.069068  -0.093377
-    0SOL     H2    2  -0.134597   0.009829  -0.046935
-    0SOL     H3    3  -0.011040  -0.066449  -0.089765
-    1SOL     O4    4   0.097387   0.061218   0.089464
-    1SOL     H5    5   0.112997   0.154893   0.077482
-    1SOL     H6    6   0.180245   0.027207   0.123230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.087334   0.121929   0.017469
-    0SOL     H2    2   0.107527   0.163835  -0.066187
-    0SOL     H3    3   0.008370   0.166470   0.048181
-    1SOL     O4    4  -0.090270  -0.128114  -0.013053
-    1SOL     H5    5  -0.022600  -0.084178   0.038452
-    1SOL     H6    6  -0.046429  -0.152279  -0.094639
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037222   0.117022  -0.100369
-    0SOL     H2    2   0.071049   0.072985  -0.022402
-    0SOL     H3    3  -0.053701   0.137675  -0.078718
-    1SOL     O4    4  -0.028003  -0.112983   0.094495
-    1SOL     H5    5  -0.077970  -0.135523   0.172965
-    1SOL     H6    6  -0.083205  -0.141788   0.021795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040777   0.144525   0.049146
-    0SOL     H2    2   0.025168   0.155482   0.117655
-    0SOL     H3    3  -0.056319   0.050139   0.045672
-    1SOL     O4    4   0.034273  -0.138980  -0.048916
-    1SOL     H5    5   0.129340  -0.149704  -0.045819
-    1SOL     H6    6   0.012051  -0.148520  -0.141530
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044784  -0.145740   0.023894
-    0SOL     H2    2   0.102433  -0.161296   0.098707
-    0SOL     H3    3   0.102899  -0.113104  -0.044807
-    1SOL     O4    4  -0.051129   0.151344  -0.022613
-    1SOL     H5    5  -0.023867   0.082110   0.037601
-    1SOL     H6    6  -0.064080   0.106667  -0.106270
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074013   0.131610  -0.051082
-    0SOL     H2    2   0.136298   0.151956   0.018696
-    0SOL     H3    3   0.024208   0.056959  -0.017779
-    1SOL     O4    4  -0.073367  -0.121845   0.045711
-    1SOL     H5    5  -0.070762  -0.189340   0.113534
-    1SOL     H6    6  -0.101686  -0.168136  -0.033140
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021707   0.024479  -0.149702
-    0SOL     H2    2   0.046285  -0.023141  -0.197364
-    0SOL     H3    3  -0.006305   0.116427  -0.171400
-    1SOL     O4    4   0.013686  -0.023793   0.158687
-    1SOL     H5    5   0.062653  -0.105991   0.161528
-    1SOL     H6    6   0.019907   0.004710   0.067521
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024239   0.107609   0.111082
-    0SOL     H2    2   0.067560   0.110086   0.138083
-    0SOL     H3    3  -0.064801   0.043784   0.169762
-    1SOL     O4    4   0.026611  -0.108142  -0.114488
-    1SOL     H5    5  -0.013735  -0.042511  -0.057680
-    1SOL     H6    6  -0.027731  -0.108343  -0.193287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070253  -0.131625   0.038862
-    0SOL     H2    2  -0.093353  -0.131135   0.131751
-    0SOL     H3    3  -0.154351  -0.129288  -0.006794
-    1SOL     O4    4   0.080592   0.136678  -0.040656
-    1SOL     H5    5   0.078083   0.055781   0.010448
-    1SOL     H6    6   0.008310   0.128052  -0.102811
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118566  -0.004566   0.105893
-    0SOL     H2    2   0.206592   0.012379   0.072329
-    0SOL     H3    3   0.066890   0.070542   0.076727
-    1SOL     O4    4  -0.114003   0.001596  -0.103019
-    1SOL     H5    5  -0.152175  -0.073279  -0.148833
-    1SOL     H6    6  -0.185140   0.035173  -0.048482
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090804  -0.038943  -0.130098
-    0SOL     H2    2   0.147106   0.030573  -0.096043
-    0SOL     H3    3   0.006583   0.003821  -0.145607
-    1SOL     O4    4  -0.088137   0.033682   0.135864
-    1SOL     H5    5  -0.099911  -0.051458   0.093735
-    1SOL     H6    6  -0.096868   0.097089   0.064690
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020427  -0.119471  -0.099387
-    0SOL     H2    2   0.100820  -0.171336  -0.102415
-    0SOL     H3    3  -0.049955  -0.184337  -0.098329
-    1SOL     O4    4  -0.024653   0.127319   0.105569
-    1SOL     H5    5  -0.012264   0.179722   0.026431
-    1SOL     H6    6   0.022733   0.045993   0.088164
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153076   0.032951   0.022384
-    0SOL     H2    2   0.132940   0.120001  -0.011954
-    0SOL     H3    3   0.244325   0.017925  -0.002317
-    1SOL     O4    4  -0.162319  -0.039285  -0.016627
-    1SOL     H5    5  -0.088782  -0.000394   0.030724
-    1SOL     H6    6  -0.135576  -0.037051  -0.108508
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137149   0.090977  -0.040238
-    0SOL     H2    2  -0.093953   0.009773  -0.066739
-    0SOL     H3    3  -0.072932   0.135341   0.015174
-    1SOL     O4    4   0.124853  -0.089611   0.036222
-    1SOL     H5    5   0.204637  -0.086774  -0.016587
-    1SOL     H6    6   0.155079  -0.076505   0.126093
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050761   0.029009   0.146538
-    0SOL     H2    2   0.127608   0.068664   0.187577
-    0SOL     H3    3  -0.020971   0.047285   0.207225
-    1SOL     O4    4  -0.055952  -0.034098  -0.156886
-    1SOL     H5    5  -0.059360   0.038228  -0.094279
-    1SOL     H6    6   0.027997  -0.076762  -0.139721
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023206  -0.050647   0.151872
-    0SOL     H2    2   0.112621  -0.030919   0.179765
-    0SOL     H3    3  -0.030916   0.013866   0.197383
-    1SOL     O4    4  -0.030245   0.044198  -0.156391
-    1SOL     H5    5   0.018001   0.108123  -0.208813
-    1SOL     H6    6   0.026865   0.026450  -0.081653
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140184  -0.080644  -0.054549
-    0SOL     H2    2   0.064847  -0.046012  -0.006725
-    0SOL     H3    3   0.145863  -0.026194  -0.133068
-    1SOL     O4    4  -0.137634   0.069512   0.054039
-    1SOL     H5    5  -0.115810   0.148005   0.003791
-    1SOL     H6    6  -0.139305   0.098996   0.145089
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096926   0.039783   0.125883
-    0SOL     H2    2  -0.171239   0.088167   0.161924
-    0SOL     H3    3  -0.034201   0.107507   0.100559
-    1SOL     O4    4   0.101323  -0.048328  -0.121384
-    1SOL     H5    5   0.122712   0.008964  -0.195022
-    1SOL     H6    6   0.010812  -0.075097  -0.137306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053671  -0.049242  -0.145376
-    0SOL     H2    2   0.106239  -0.106129  -0.089138
-    0SOL     H3    3   0.109687  -0.031888  -0.221029
-    1SOL     O4    4  -0.061677   0.046152   0.148355
-    1SOL     H5    5  -0.103857   0.130323   0.165630
-    1SOL     H6    6   0.012540   0.067647   0.091857
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038410   0.140147   0.069753
-    0SOL     H2    2   0.020551   0.165073   0.140920
-    0SOL     H3    3  -0.110148   0.203319   0.074784
-    1SOL     O4    4   0.041683  -0.143121  -0.069440
-    1SOL     H5    5   0.030208  -0.234363  -0.096001
-    1SOL     H6    6   0.000696  -0.092393  -0.139505
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051200   0.167727   0.012359
-    0SOL     H2    2  -0.086672   0.097501  -0.042160
-    0SOL     H3    3  -0.026426   0.124482   0.094080
-    1SOL     O4    4   0.051892  -0.167435  -0.012669
-    1SOL     H5    5   0.095405  -0.095049   0.032379
-    1SOL     H6    6   0.004725  -0.125890  -0.084860
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.150707   0.054290  -0.066983
-    0SOL     H2    2   0.159229   0.050819   0.028294
-    0SOL     H3    3   0.079115   0.115916  -0.082445
-    1SOL     O4    4  -0.142959  -0.059316   0.067607
-    1SOL     H5    5  -0.212653  -0.110934   0.027103
-    1SOL     H6    6  -0.141389   0.022297   0.017615
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025336   0.099154   0.138127
-    0SOL     H2    2   0.095731   0.162328   0.152820
-    0SOL     H3    3   0.019907   0.090986   0.042911
-    1SOL     O4    4  -0.023328  -0.096776  -0.136291
-    1SOL     H5    5  -0.030440  -0.150972  -0.057713
-    1SOL     H6    6  -0.099203  -0.121243  -0.189268
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004429  -0.015809   0.173405
-    0SOL     H2    2  -0.064068  -0.090586   0.169691
-    0SOL     H3    3  -0.053678   0.056151   0.133927
-    1SOL     O4    4   0.014379   0.020701  -0.167230
-    1SOL     H5    5  -0.046469  -0.044953  -0.133329
-    1SOL     H6    6   0.021775   0.000657  -0.260535
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132188  -0.009201   0.122913
-    0SOL     H2    2  -0.112904   0.066725   0.067907
-    0SOL     H3    3  -0.185606  -0.066065   0.067458
-    1SOL     O4    4   0.139003   0.005462  -0.118008
-    1SOL     H5    5   0.051323  -0.025095  -0.141263
-    1SOL     H6    6   0.125344   0.093823  -0.083833
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070386  -0.156665  -0.040010
-    0SOL     H2    2   0.022303  -0.177101  -0.052399
-    0SOL     H3    3  -0.116019  -0.213771  -0.101807
-    1SOL     O4    4   0.061476   0.160013   0.040666
-    1SOL     H5    5   0.096271   0.113138   0.116523
-    1SOL     H6    6   0.123388   0.231568   0.026202
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098918  -0.151806   0.003326
-    0SOL     H2    2  -0.028637  -0.125383  -0.056044
-    0SOL     H3    3  -0.151948  -0.212832  -0.047917
-    1SOL     O4    4   0.100355   0.149969   0.000045
-    1SOL     H5    5   0.006530   0.165600   0.010760
-    1SOL     H6    6   0.142034   0.212668   0.059155
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.048083  -0.036662   0.172966
-    0SOL     H2    2   0.107905  -0.111316   0.176192
-    0SOL     H3    3   0.100018   0.034073   0.134736
-    1SOL     O4    4  -0.060528   0.034179  -0.171986
-    1SOL     H5    5  -0.004225   0.080952  -0.233667
-    1SOL     H6    6  -0.008654   0.028439  -0.091746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013251   0.064178   0.170615
-    0SOL     H2    2   0.078180   0.006952   0.129729
-    0SOL     H3    3   0.041531   0.071267   0.261787
-    1SOL     O4    4  -0.016633  -0.066997  -0.173923
-    1SOL     H5    5   0.016515   0.007121  -0.224619
-    1SOL     H6    6  -0.086027  -0.029746  -0.119524
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122683   0.045719  -0.132211
-    0SOL     H2    2  -0.170280   0.069275  -0.052575
-    0SOL     H3    3  -0.188495   0.049794  -0.201597
-    1SOL     O4    4   0.129730  -0.044438   0.136289
-    1SOL     H5    5   0.171919  -0.124570   0.105285
-    1SOL     H6    6   0.064525  -0.024149   0.069213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068692   0.150746  -0.101647
-    0SOL     H2    2  -0.116159   0.071831  -0.075540
-    0SOL     H3    3  -0.032458   0.129598  -0.187683
-    1SOL     O4    4   0.066847  -0.141483   0.108834
-    1SOL     H5    5   0.149744  -0.188968   0.114796
-    1SOL     H6    6   0.026758  -0.173250   0.027926
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065410   0.181863   0.013373
-    0SOL     H2    2   0.028400   0.199793  -0.073063
-    0SOL     H3    3   0.151691   0.144577  -0.004729
-    1SOL     O4    4  -0.070188  -0.177826  -0.011721
-    1SOL     H5    5   0.013725  -0.161505   0.031342
-    1SOL     H6    6  -0.109213  -0.249587   0.038176
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080146   0.124156  -0.128037
-    0SOL     H2    2   0.008728   0.140560  -0.096498
-    0SOL     H3    3  -0.100008   0.199257  -0.183963
-    1SOL     O4    4   0.072739  -0.130408   0.133629
-    1SOL     H5    5   0.163547  -0.157654   0.120441
-    1SOL     H6    6   0.057867  -0.063377   0.066936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.169706   0.023661  -0.106225
-    0SOL     H2    2  -0.140341  -0.015593  -0.188438
-    0SOL     H3    3  -0.134380  -0.033740  -0.038258
-    1SOL     O4    4   0.160211  -0.020906   0.104402
-    1SOL     H5    5   0.219946  -0.059897   0.168227
-    1SOL     H6    6   0.197186   0.065579   0.086638
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.082660   0.096422  -0.152148
-    0SOL     H2    2   0.154874   0.091430  -0.089518
-    0SOL     H3    3   0.074441   0.189718  -0.171913
-    1SOL     O4    4  -0.087476  -0.107987   0.153782
-    1SOL     H5    5  -0.137041  -0.026222   0.158286
-    1SOL     H6    6  -0.020295  -0.091709   0.087570
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033005  -0.179078   0.072409
-    0SOL     H2    2  -0.085123  -0.230885   0.011074
-    0SOL     H3    3  -0.057244  -0.212564   0.158743
-    1SOL     O4    4   0.039794   0.186897  -0.078910
-    1SOL     H5    5  -0.038879   0.211187  -0.030096
-    1SOL     H6    6   0.073768   0.110088  -0.032994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094590  -0.043458   0.185408
-    0SOL     H2    2  -0.123471  -0.010961   0.270684
-    0SOL     H3    3  -0.172066  -0.085708   0.148331
-    1SOL     O4    4   0.106020   0.043371  -0.186722
-    1SOL     H5    5   0.041585   0.094184  -0.137441
-    1SOL     H6    6   0.055532   0.002091  -0.256787
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080728   0.136993  -0.147798
-    0SOL     H2    2   0.041139   0.113407  -0.231694
-    0SOL     H3    3   0.152877   0.075016  -0.137039
-    1SOL     O4    4  -0.077385  -0.129102   0.155661
-    1SOL     H5    5  -0.163870  -0.157353   0.185403
-    1SOL     H6    6  -0.075449  -0.151634   0.062651
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.213724  -0.047106   0.002295
-    0SOL     H2    2  -0.218875   0.039008   0.043770
-    0SOL     H3    3  -0.191444  -0.106838   0.073696
-    1SOL     O4    4   0.214845   0.039841  -0.007558
-    1SOL     H5    5   0.126249   0.067987  -0.030379
-    1SOL     H6    6   0.263308   0.121349   0.005486
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.167713  -0.164244   0.045494
-    0SOL     H2    2   0.072091  -0.160290   0.047275
-    0SOL     H3    3   0.193504  -0.094389  -0.014652
-    1SOL     O4    4  -0.160588   0.165530  -0.039268
-    1SOL     H5    5  -0.186972   0.080874  -0.003220
-    1SOL     H6    6  -0.189619   0.162890  -0.130441
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.175515   0.096212   0.130181
-    0SOL     H2    2   0.121920   0.016907   0.131002
-    0SOL     H3    3   0.244267   0.079382   0.194620
-    1SOL     O4    4  -0.182642  -0.090709  -0.131096
-    1SOL     H5    5  -0.153086  -0.134916  -0.210686
-    1SOL     H6    6  -0.102731  -0.054880  -0.092459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.156007   0.169383   0.089685
-    0SOL     H2    2  -0.162158   0.127394   0.003886
-    0SOL     H3    3  -0.210720   0.247560   0.082122
-    1SOL     O4    4   0.157126  -0.170255  -0.089694
-    1SOL     H5    5   0.189297  -0.257500  -0.066987
-    1SOL     H6    6   0.175008  -0.117136  -0.012099
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.134704   0.176930   0.097085
-    0SOL     H2    2   0.228141   0.175754   0.117829
-    0SOL     H3    3   0.118910   0.264762   0.062466
-    1SOL     O4    4  -0.140987  -0.186969  -0.090920
-    1SOL     H5    5  -0.192222  -0.172906  -0.170541
-    1SOL     H6    6  -0.066766  -0.127102  -0.099255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.157215  -0.197710  -0.028461
-    0SOL     H2    2   0.065568  -0.216718  -0.008415
-    0SOL     H3    3   0.157805  -0.178622  -0.122256
-    1SOL     O4    4  -0.148923   0.203297   0.032295
-    1SOL     H5    5  -0.235217   0.175924   0.001209
-    1SOL     H6    6  -0.112786   0.125357   0.074506
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010608   0.244321  -0.068882
-    0SOL     H2    2   0.048659   0.208334  -0.149003
-    0SOL     H3    3  -0.031690   0.325532  -0.096777
-    1SOL     O4    4  -0.012042  -0.243533   0.080209
-    1SOL     H5    5  -0.060411  -0.257509  -0.001200
-    1SOL     H6    6   0.068232  -0.294559   0.069492
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014193   0.143925   0.211897
-    0SOL     H2    2   0.095965   0.181906   0.244040
-    0SOL     H3    3  -0.025238   0.103106   0.288977
-    1SOL     O4    4  -0.020983  -0.144719  -0.219448
-    1SOL     H5    5  -0.003325  -0.072494  -0.159165
-    1SOL     H6    6   0.060045  -0.195672  -0.220241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.131110   0.195176   0.146690
-    0SOL     H2    2  -0.211007   0.146992   0.125310
-    0SOL     H3    3  -0.070262   0.173266   0.076122
-    1SOL     O4    4   0.134224  -0.184939  -0.138929
-    1SOL     H5    5   0.190481  -0.247154  -0.185045
-    1SOL     H6    6   0.048000  -0.226499  -0.138233
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126817   0.252441  -0.030142
-    0SOL     H2    2   0.166635   0.275694  -0.114024
-    0SOL     H3    3   0.185958   0.187095   0.007202
-    1SOL     O4    4  -0.133504  -0.255109   0.028606
-    1SOL     H5    5  -0.080808  -0.259922   0.108370
-    1SOL     H6    6  -0.158853  -0.163035   0.022110
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017532  -0.277205  -0.084749
-    0SOL     H2    2   0.041028  -0.248801   0.003588
-    0SOL     H3    3   0.038690  -0.370544  -0.086369
-    1SOL     O4    4  -0.016452   0.274469   0.082318
-    1SOL     H5    5  -0.107162   0.282614   0.052862
-    1SOL     H6    6   0.015725   0.364539   0.086120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022158   0.211597  -0.209540
-    0SOL     H2    2  -0.017520   0.193914  -0.115582
-    0SOL     H3    3  -0.022792   0.307098  -0.215985
-    1SOL     O4    4   0.019068  -0.217863   0.209576
-    1SOL     H5    5   0.048862  -0.129976   0.186113
-    1SOL     H6    6   0.044912  -0.272564   0.135400
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.170072  -0.270761   0.026850
-    0SOL     H2    2  -0.221316  -0.279783  -0.053492
-    0SOL     H3    3  -0.095423  -0.216370   0.001723
-    1SOL     O4    4   0.173805   0.263418  -0.021762
-    1SOL     H5    5   0.123778   0.285749   0.056730
-    1SOL     H6    6   0.141318   0.323496  -0.088826
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.297725  -0.011870  -0.155485
-    0SOL     H2    2   0.282459   0.054866  -0.222384
-    0SOL     H3    3   0.254429   0.022249  -0.077231
-    1SOL     O4    4  -0.294661   0.007666   0.149025
-    1SOL     H5    5  -0.224292  -0.024697   0.205267
-    1SOL     H6    6  -0.367197   0.025136   0.208989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056446   0.143347   0.305654
-    0SOL     H2    2   0.035116   0.157854   0.329490
-    0SOL     H3    3  -0.098497   0.228274   0.319128
-    1SOL     O4    4   0.055365  -0.149828  -0.313496
-    1SOL     H5    5   0.076035  -0.206243  -0.238981
-    1SOL     H6    6   0.000702  -0.080438  -0.276626
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113670  -0.326690   0.127919
-    0SOL     H2    2  -0.020165  -0.309055   0.138323
-    0SOL     H3    3  -0.147168  -0.250988   0.079862
-    1SOL     O4    4   0.105223   0.319903  -0.122819
-    1SOL     H5    5   0.119456   0.392899  -0.183079
-    1SOL     H6    6   0.189979   0.275652  -0.118283
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.180596  -0.099257   0.306488
-    0SOL     H2    2   0.106280  -0.127491   0.359799
-    0SOL     H3    3   0.249148  -0.163459   0.324958
-    1SOL     O4    4  -0.180846   0.098494  -0.313870
-    1SOL     H5    5  -0.245938   0.151685  -0.268087
-    1SOL     H6    6  -0.099875   0.149184  -0.307816
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017974  -0.381809   0.097073
-    0SOL     H2    2   0.104878  -0.388747   0.057552
-    0SOL     H3    3  -0.030879  -0.455670   0.060738
-    1SOL     O4    4  -0.023067   0.386884  -0.098625
-    1SOL     H5    5   0.048233   0.439311  -0.062155
-    1SOL     H6    6  -0.045448   0.325094  -0.029031
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056484  -0.336168   0.274852
-    0SOL     H2    2  -0.025503  -0.290102   0.196875
-    0SOL     H3    3  -0.149672  -0.314880   0.279864
-    1SOL     O4    4   0.061133   0.326274  -0.269695
-    1SOL     H5    5   0.013150   0.367084  -0.341768
-    1SOL     H6    6   0.082335   0.398765  -0.210892
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.212678   0.185793  -0.329955
-    0SOL     H2    2   0.120355   0.208653  -0.340738
-    0SOL     H3    3   0.248925   0.189951  -0.418448
-    1SOL     O4    4  -0.202819  -0.189246   0.338261
-    1SOL     H5    5  -0.257314  -0.117064   0.369604
-    1SOL     H6    6  -0.251450  -0.225669   0.264296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.357719  -0.230399   0.208379
-    0SOL     H2    2  -0.368215  -0.311026   0.258892
-    0SOL     H3    3  -0.428967  -0.232656   0.144496
-    1SOL     O4    4   0.365665   0.239373  -0.205951
-    1SOL     H5    5   0.319035   0.224368  -0.288187
-    1SOL     H6    6   0.343907   0.163479  -0.151832
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.373099  -0.274570  -0.248759
-    0SOL     H2    2   0.277785  -0.268318  -0.242564
-    0SOL     H3    3   0.390629  -0.368455  -0.255120
-    1SOL     O4    4  -0.371222   0.278436   0.254963
-    1SOL     H5    5  -0.280668   0.267835   0.225808
-    1SOL     H6    6  -0.416606   0.315553   0.179300
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.330912  -0.204660   0.420171
-    0SOL     H2    2  -0.299981  -0.136205   0.479495
-    0SOL     H3    3  -0.286884  -0.284161   0.450231
-    1SOL     O4    4   0.322739   0.204673  -0.420709
-    1SOL     H5    5   0.415662   0.227031  -0.415441
-    1SOL     H6    6   0.306599   0.191007  -0.514063
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.561919   0.295493   0.085453
-    0SOL     H2    2   0.544952   0.347949   0.163702
-    0SOL     H3    3   0.537278   0.352446   0.012573
-    1SOL     O4    4  -0.563793  -0.306172  -0.087077
-    1SOL     H5    5  -0.513571  -0.288320  -0.007571
-    1SOL     H6    6  -0.544135  -0.232491  -0.144931
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.619436   0.073248   0.232655
-    0SOL     H2    2  -0.615462  -0.016627   0.199958
-    0SOL     H3    3  -0.704703   0.105610   0.203594
-    1SOL     O4    4   0.624834  -0.070229  -0.236408
-    1SOL     H5    5   0.548319  -0.095296  -0.184644
-    1SOL     H6    6   0.685139  -0.031566  -0.172920
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.164715  -0.527107   0.399801
-    0SOL     H2    2   0.176157  -0.567045   0.313567
-    0SOL     H3    3   0.144738  -0.600576   0.457815
-    1SOL     O4    4  -0.169659   0.530360  -0.402664
-    1SOL     H5    5  -0.165936   0.586275  -0.325063
-    1SOL     H6    6  -0.081529   0.493758  -0.410121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115191  -0.044100   0.003510
-    0SOL     H2    2  -0.126957  -0.058818  -0.090338
-    0SOL     H3    3  -0.121906  -0.131262   0.042498
-    1SOL     O4    4   0.121431   0.047919   0.003014
-    1SOL     H5    5   0.115111   0.129352  -0.046895
-    1SOL     H6    6   0.035990   0.006235  -0.008152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089424   0.084846   0.001151
-    0SOL     H2    2  -0.179907   0.105838   0.024271
-    0SOL     H3    3  -0.066585   0.148481  -0.066608
-    1SOL     O4    4   0.096471  -0.093008   0.007516
-    1SOL     H5    5   0.107794  -0.127651  -0.080994
-    1SOL     H6    6   0.040740  -0.016012  -0.003796
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.010837   0.126291  -0.040167
-    0SOL     H2    2  -0.080289   0.151596  -0.054934
-    0SOL     H3    3   0.022072   0.046143  -0.091279
-    1SOL     O4    4  -0.000285  -0.124256   0.041734
-    1SOL     H5    5  -0.051999  -0.183299   0.096525
-    1SOL     H6    6  -0.060767  -0.053723   0.018730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110771   0.008782   0.069192
-    0SOL     H2    2  -0.090827   0.036367   0.158655
-    0SOL     H3    3  -0.149395  -0.078253   0.078962
-    1SOL     O4    4   0.116913  -0.002171  -0.075337
-    1SOL     H5    5   0.028707   0.030912  -0.058378
-    1SOL     H6    6   0.104493  -0.095275  -0.093768
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012898  -0.124324  -0.054772
-    0SOL     H2    2  -0.097912  -0.119258  -0.011077
-    0SOL     H3    3  -0.029926  -0.094086  -0.143980
-    1SOL     O4    4   0.023135   0.126310   0.054385
-    1SOL     H5    5   0.003223   0.035620   0.031122
-    1SOL     H6    6  -0.020309   0.139565   0.138643
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075716   0.006308  -0.118864
-    0SOL     H2    2  -0.026236   0.030088  -0.040452
-    0SOL     H3    3  -0.013128  -0.041687  -0.173100
-    1SOL     O4    4   0.065981  -0.009356   0.115112
-    1SOL     H5    5   0.042029   0.065446   0.169822
-    1SOL     H6    6   0.161336  -0.004537   0.108282
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078618  -0.082911   0.067848
-    0SOL     H2    2  -0.102780  -0.162271   0.020093
-    0SOL     H3    3  -0.161868  -0.047290   0.098878
-    1SOL     O4    4   0.085930   0.082605  -0.073192
-    1SOL     H5    5   0.038360   0.036835  -0.003877
-    1SOL     H6    6   0.101599   0.170141  -0.037777
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067562  -0.096256   0.078382
-    0SOL     H2    2   0.006526  -0.029645   0.046761
-    0SOL     H3    3   0.076935  -0.077790   0.171835
-    1SOL     O4    4  -0.067731   0.090632  -0.075937
-    1SOL     H5    5  -0.084834   0.042822  -0.157079
-    1SOL     H6    6   0.005196   0.148837  -0.097293
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000589   0.101385  -0.087014
-    0SOL     H2    2  -0.092457   0.087052  -0.109755
-    0SOL     H3    3   0.013611   0.194812  -0.102245
-    1SOL     O4    4  -0.000281  -0.110464   0.090149
-    1SOL     H5    5   0.084124  -0.116556   0.134882
-    1SOL     H6    6   0.007685  -0.033139   0.034295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019312  -0.063297   0.117607
-    0SOL     H2    2   0.090393  -0.020948   0.165737
-    0SOL     H3    3  -0.042228  -0.091269   0.185376
-    1SOL     O4    4  -0.019687   0.065928  -0.130088
-    1SOL     H5    5   0.010359  -0.023266  -0.112652
-    1SOL     H6    6  -0.055681   0.095878  -0.046603
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110400   0.060150  -0.056286
-    0SOL     H2    2  -0.156821   0.049904   0.026794
-    0SOL     H3    3  -0.122821   0.152171  -0.079527
-    1SOL     O4    4   0.119965  -0.067736   0.055421
-    1SOL     H5    5   0.032270  -0.078156   0.092345
-    1SOL     H6    6   0.107440  -0.010750  -0.020460
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094342  -0.076497   0.074365
-    0SOL     H2    2   0.174436  -0.122486   0.049220
-    0SOL     H3    3   0.050341  -0.057835  -0.008568
-    1SOL     O4    4  -0.096982   0.071444  -0.064298
-    1SOL     H5    5  -0.080008   0.080262  -0.158088
-    1SOL     H6    6  -0.101299   0.161489  -0.032120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054165  -0.080489   0.099872
-    0SOL     H2    2  -0.107209  -0.101137   0.022916
-    0SOL     H3    3  -0.025098  -0.165640   0.132534
-    1SOL     O4    4   0.051067   0.087375  -0.103273
-    1SOL     H5    5   0.124282   0.146791  -0.086795
-    1SOL     H6    6   0.050787   0.028192  -0.028043
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073972  -0.055228  -0.113801
-    0SOL     H2    2   0.026489  -0.031358  -0.034190
-    0SOL     H3    3   0.142528   0.011110  -0.121657
-    1SOL     O4    4  -0.074260   0.055189   0.104903
-    1SOL     H5    5  -0.009378   0.003305   0.152449
-    1SOL     H6    6  -0.158554   0.025351   0.139058
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024109   0.045490   0.127568
-    0SOL     H2    2   0.064613   0.080819   0.134085
-    0SOL     H3    3  -0.046939   0.021246   0.217309
-    1SOL     O4    4   0.024390  -0.042461  -0.137016
-    1SOL     H5    5  -0.007549  -0.024049  -0.048680
-    1SOL     H6    6  -0.013525  -0.127560  -0.158991
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055979  -0.136741  -0.026032
-    0SOL     H2    2   0.047080  -0.050545   0.014629
-    0SOL     H3    3  -0.018700  -0.186684   0.007000
-    1SOL     O4    4  -0.051789   0.128233   0.021391
-    1SOL     H5    5  -0.055524   0.176588   0.103914
-    1SOL     H6    6  -0.043726   0.195962  -0.045767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007714  -0.124255  -0.064129
-    0SOL     H2    2  -0.089991  -0.132591  -0.112331
-    0SOL     H3    3   0.013503  -0.213635  -0.037231
-    1SOL     O4    4   0.014491   0.130841   0.071468
-    1SOL     H5    5  -0.032708   0.195711   0.019252
-    1SOL     H6    6   0.012298   0.051167   0.018462
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058094   0.129387  -0.047582
-    0SOL     H2    2   0.143981   0.123060  -0.089364
-    0SOL     H3    3   0.016723   0.044812  -0.064838
-    1SOL     O4    4  -0.060553  -0.117136   0.049450
-    1SOL     H5    5  -0.102578  -0.157279   0.125508
-    1SOL     H6    6  -0.020468  -0.190424   0.002714
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083117  -0.011517  -0.115835
-    0SOL     H2    2   0.158304  -0.052494  -0.073054
-    0SOL     H3    3   0.085442  -0.044842  -0.205537
-    1SOL     O4    4  -0.089087   0.012555   0.124432
-    1SOL     H5    5  -0.050357  -0.027204   0.046447
-    1SOL     H6    6  -0.101048   0.104594   0.101024
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046135   0.010721   0.137219
-    0SOL     H2    2  -0.030115  -0.025251   0.182543
-    0SOL     H3    3   0.063300   0.093876   0.181411
-    1SOL     O4    4  -0.048010  -0.009275  -0.143941
-    1SOL     H5    5   0.033078   0.012343  -0.097901
-    1SOL     H6    6  -0.039433  -0.102182  -0.165318
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010046  -0.073411   0.133164
-    0SOL     H2    2  -0.033889   0.010451   0.147278
-    0SOL     H3    3  -0.057252  -0.129592   0.094731
-    1SOL     O4    4  -0.009725   0.071996  -0.131836
-    1SOL     H5    5   0.049370   0.032553  -0.195980
-    1SOL     H6    6   0.048294   0.108617  -0.065090
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053134   0.137395   0.034860
-    0SOL     H2    2  -0.019901   0.113327  -0.022139
-    0SOL     H3    3   0.118849   0.173841  -0.024432
-    1SOL     O4    4  -0.059469  -0.135118  -0.029750
-    1SOL     H5    5   0.019257  -0.085783  -0.006715
-    1SOL     H6    6  -0.030543  -0.226303  -0.033041
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101639   0.071791   0.088781
-    0SOL     H2    2   0.053538   0.037380   0.013518
-    0SOL     H3    3   0.191465   0.081870   0.057285
-    1SOL     O4    4  -0.098669  -0.066744  -0.084127
-    1SOL     H5    5  -0.103337  -0.160154  -0.063753
-    1SOL     H6    6  -0.190004  -0.038283  -0.087321
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082682  -0.011334   0.130289
-    0SOL     H2    2  -0.127992   0.072787   0.136034
-    0SOL     H3    3  -0.064182  -0.022307   0.037017
-    1SOL     O4    4   0.078849   0.005167  -0.123577
-    1SOL     H5    5   0.115726   0.093418  -0.119829
-    1SOL     H6    6   0.150126  -0.049224  -0.157095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099803   0.093718  -0.056451
-    0SOL     H2    2  -0.012981   0.133344  -0.049097
-    0SOL     H3    3  -0.145213   0.147311  -0.121474
-    1SOL     O4    4   0.100433  -0.099644   0.064689
-    1SOL     H5    5   0.073207  -0.169967   0.005734
-    1SOL     H6    6   0.060812  -0.020707   0.027792
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.105958   0.106517   0.009251
-    0SOL     H2    2  -0.144125   0.045523   0.072380
-    0SOL     H3    3  -0.077776   0.181208   0.062066
-    1SOL     O4    4   0.110425  -0.106579  -0.010970
-    1SOL     H5    5   0.039066  -0.053570  -0.046470
-    1SOL     H6    6   0.116258  -0.181644  -0.070076
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037775   0.032846  -0.151848
-    0SOL     H2    2  -0.017091  -0.060613  -0.151592
-    0SOL     H3    3  -0.013585   0.063019  -0.064288
-    1SOL     O4    4   0.028195  -0.030200   0.147547
-    1SOL     H5    5   0.091338  -0.086472   0.102729
-    1SOL     H6    6   0.080324   0.043178   0.180113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.096475   0.089085  -0.072340
-    0SOL     H2    2   0.145724   0.101123   0.008851
-    0SOL     H3    3   0.110328   0.170296  -0.121077
-    1SOL     O4    4  -0.102187  -0.095467   0.076395
-    1SOL     H5    5  -0.047483  -0.021523   0.049896
-    1SOL     H6    6  -0.115961  -0.145228  -0.004206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024453  -0.151351  -0.044455
-    0SOL     H2    2  -0.033703  -0.171369   0.048690
-    0SOL     H3    3  -0.077777  -0.072947  -0.057563
-    1SOL     O4    4   0.023455   0.143801   0.037545
-    1SOL     H5    5   0.026214   0.239151   0.029607
-    1SOL     H6    6   0.102469   0.121520   0.086766
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050463  -0.143593   0.044396
-    0SOL     H2    2  -0.012061  -0.212290   0.067499
-    0SOL     H3    3  -0.002064  -0.077535  -0.000765
-    1SOL     O4    4  -0.037066   0.145603  -0.042195
-    1SOL     H5    5  -0.107809   0.143434   0.022249
-    1SOL     H6    6  -0.077565   0.114954  -0.123329
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025865   0.158872   0.015931
-    0SOL     H2    2   0.029349   0.085425  -0.045353
-    0SOL     H3    3   0.078291   0.130231   0.090721
-    1SOL     O4    4  -0.024769  -0.150904  -0.011989
-    1SOL     H5    5  -0.032859  -0.241542  -0.041682
-    1SOL     H6    6  -0.088943  -0.102735  -0.064179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.156999  -0.028982   0.024458
-    0SOL     H2    2  -0.199671   0.011521  -0.051047
-    0SOL     H3    3  -0.064111  -0.030792   0.001415
-    1SOL     O4    4   0.150663   0.032408  -0.021439
-    1SOL     H5    5   0.178639  -0.047460  -0.066170
-    1SOL     H6    6   0.178494   0.020091   0.069314
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085134  -0.128297  -0.053945
-    0SOL     H2    2  -0.057023  -0.188997   0.014521
-    0SOL     H3    3  -0.013244  -0.065535  -0.061370
-    1SOL     O4    4   0.077326   0.129535   0.043576
-    1SOL     H5    5   0.070528   0.193406   0.114546
-    1SOL     H6    6   0.115728   0.052054   0.084617
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059615  -0.093149  -0.123858
-    0SOL     H2    2  -0.033847  -0.075750  -0.112702
-    0SOL     H3    3   0.093366  -0.101082  -0.034638
-    1SOL     O4    4  -0.059692   0.087269   0.119526
-    1SOL     H5    5  -0.045276   0.125688   0.033047
-    1SOL     H6    6  -0.011407   0.144207   0.179433
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140058  -0.010081   0.084521
-    0SOL     H2    2  -0.093093   0.033861   0.013629
-    0SOL     H3    3  -0.188440  -0.080438   0.041261
-    1SOL     O4    4   0.141959   0.018616  -0.075441
-    1SOL     H5    5   0.124007  -0.054147  -0.015896
-    1SOL     H6    6   0.130295  -0.018504  -0.162896
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069078   0.088411   0.108503
-    0SOL     H2    2   0.054512   0.182213   0.096200
-    0SOL     H3    3   0.162268   0.081095   0.129105
-    1SOL     O4    4  -0.079799  -0.090512  -0.109863
-    1SOL     H5    5  -0.012749  -0.054667  -0.051711
-    1SOL     H6    6  -0.037338  -0.165008  -0.152404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122863  -0.070676  -0.072509
-    0SOL     H2    2   0.182548  -0.048764  -0.144062
-    0SOL     H3    3   0.156745  -0.022145   0.002718
-    1SOL     O4    4  -0.129989   0.062738   0.076507
-    1SOL     H5    5  -0.159797   0.070274  -0.014141
-    1SOL     H6    6  -0.063131   0.130645   0.085509
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061505   0.026163  -0.140937
-    0SOL     H2    2   0.001463   0.054369  -0.207283
-    0SOL     H3    3  -0.138663  -0.000543  -0.190896
-    1SOL     O4    4   0.067240  -0.031533   0.149156
-    1SOL     H5    5   0.021919  -0.020847   0.065525
-    1SOL     H6    6   0.034190   0.039877   0.203659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063733   0.048696  -0.142709
-    0SOL     H2    2  -0.057113  -0.035130  -0.188445
-    0SOL     H3    3   0.026869   0.078082  -0.133227
-    1SOL     O4    4   0.058111  -0.051576   0.141082
-    1SOL     H5    5  -0.017776   0.005637   0.152495
-    1SOL     H6    6   0.127663  -0.009567   0.191678
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110217   0.048159   0.102645
-    0SOL     H2    2   0.111736   0.119841   0.166062
-    0SOL     H3    3   0.132101  -0.029677   0.153879
-    1SOL     O4    4  -0.111596  -0.042525  -0.111191
-    1SOL     H5    5  -0.039339  -0.105272  -0.113193
-    1SOL     H6    6  -0.182042  -0.088494  -0.065513
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079107  -0.069603  -0.131372
-    0SOL     H2    2  -0.011551  -0.132828  -0.155888
-    0SOL     H3    3  -0.045713  -0.028507  -0.051633
-    1SOL     O4    4   0.075096   0.065043   0.125620
-    1SOL     H5    5   0.100662   0.152796   0.097193
-    1SOL     H6    6   0.015205   0.080012   0.198773
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.170634  -0.044105   0.003394
-    0SOL     H2    2   0.078251  -0.020349   0.011357
-    0SOL     H3    3   0.207039   0.020912  -0.056687
-    1SOL     O4    4  -0.168490   0.036236  -0.005872
-    1SOL     H5    5  -0.165621  -0.005555   0.080195
-    1SOL     H6    6  -0.151846   0.128819   0.011837
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136765  -0.032911  -0.104927
-    0SOL     H2    2  -0.193446   0.044077  -0.109667
-    0SOL     H3    3  -0.054692  -0.000064  -0.068220
-    1SOL     O4    4   0.136293   0.026226   0.097519
-    1SOL     H5    5   0.178772   0.097895   0.144651
-    1SOL     H6    6   0.087862  -0.021450   0.164927
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.146226   0.007503   0.089153
-    0SOL     H2    2   0.149270  -0.011490   0.182921
-    0SOL     H3    3   0.147308   0.103077   0.083979
-    1SOL     O4    4  -0.147815  -0.015566  -0.099606
-    1SOL     H5    5  -0.122703   0.076445  -0.091494
-    1SOL     H6    6  -0.148237  -0.048346  -0.009675
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067178  -0.113596   0.109386
-    0SOL     H2    2   0.140959  -0.166880   0.079729
-    0SOL     H3    3   0.102139  -0.062840   0.182624
-    1SOL     O4    4  -0.073663   0.115641  -0.118081
-    1SOL     H5    5  -0.106149   0.163603  -0.041880
-    1SOL     H6    6  -0.044455   0.031567  -0.082856
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051328   0.133405   0.102141
-    0SOL     H2    2   0.103119   0.156467   0.025017
-    0SOL     H3    3   0.114775   0.096224   0.163414
-    1SOL     O4    4  -0.052653  -0.130570  -0.102296
-    1SOL     H5    5  -0.099598  -0.198811  -0.150272
-    1SOL     H6    6  -0.114843  -0.100805  -0.035898
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.142756  -0.086067   0.070650
-    0SOL     H2    2  -0.162983   0.004170   0.045942
-    0SOL     H3    3  -0.108649  -0.125816  -0.009469
-    1SOL     O4    4   0.141614   0.080562  -0.060122
-    1SOL     H5    5   0.074050   0.121188  -0.114407
-    1SOL     H6    6   0.222821   0.093661  -0.109072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034357   0.003520   0.171615
-    0SOL     H2    2  -0.062139   0.095087   0.169193
-    0SOL     H3    3  -0.086246  -0.035449   0.241980
-    1SOL     O4    4   0.034184  -0.007612  -0.170673
-    1SOL     H5    5   0.039477  -0.048996  -0.256823
-    1SOL     H6    6   0.109583   0.051279  -0.167665
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.173684   0.043823  -0.042564
-    0SOL     H2    2   0.078308   0.039127  -0.035960
-    0SOL     H3    3   0.194330  -0.001379  -0.124373
-    1SOL     O4    4  -0.166376  -0.034337   0.047642
-    1SOL     H5    5  -0.225335  -0.064722  -0.021372
-    1SOL     H6    6  -0.155292  -0.110251   0.104882
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089341   0.079399  -0.134969
-    0SOL     H2    2  -0.024211   0.012659  -0.156560
-    0SOL     H3    3  -0.073513   0.149661  -0.198017
-    1SOL     O4    4   0.081311  -0.082752   0.145388
-    1SOL     H5    5   0.042429  -0.035744   0.071627
-    1SOL     H6    6   0.175677  -0.077165   0.130349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001573   0.147228  -0.112038
-    0SOL     H2    2  -0.065489   0.186703  -0.056300
-    0SOL     H3    3  -0.044208   0.077452  -0.158917
-    1SOL     O4    4   0.004650  -0.148326   0.106652
-    1SOL     H5    5  -0.002529  -0.053744   0.119499
-    1SOL     H6    6   0.019668  -0.183397   0.194440
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112994  -0.142195  -0.070394
-    0SOL     H2    2   0.124797  -0.080086  -0.142265
-    0SOL     H3    3   0.021729  -0.131035  -0.043776
-    1SOL     O4    4  -0.106262   0.140355   0.067871
-    1SOL     H5    5  -0.198447   0.127551   0.090240
-    1SOL     H6    6  -0.058343   0.108131   0.144210
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.144043  -0.064454  -0.107157
-    0SOL     H2    2   0.193266  -0.061740  -0.189205
-    0SOL     H3    3   0.056951  -0.032210  -0.130342
-    1SOL     O4    4  -0.137550   0.057071   0.114763
-    1SOL     H5    5  -0.115047   0.149266   0.102274
-    1SOL     H6    6  -0.233056   0.054663   0.108831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.143870  -0.143327  -0.008407
-    0SOL     H2    2  -0.209906  -0.108894  -0.068540
-    0SOL     H3    3  -0.104043  -0.065522   0.030612
-    1SOL     O4    4   0.138947   0.139294   0.011139
-    1SOL     H5    5   0.169854   0.082443  -0.059394
-    1SOL     H6    6   0.217198   0.157833   0.063055
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.159386   0.117735  -0.061180
-    0SOL     H2    2   0.217018   0.043987  -0.081233
-    0SOL     H3    3   0.071856   0.079258  -0.056680
-    1SOL     O4    4  -0.157590  -0.111545   0.056441
-    1SOL     H5    5  -0.123841  -0.054909   0.125836
-    1SOL     H6    6  -0.206054  -0.179908   0.102702
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.160176  -0.116843  -0.044907
-    0SOL     H2    2  -0.242443  -0.165447  -0.039247
-    0SOL     H3    3  -0.182485  -0.028430  -0.015793
-    1SOL     O4    4   0.161050   0.115451   0.044366
-    1SOL     H5    5   0.191880   0.045034  -0.012672
-    1SOL     H6    6   0.240236   0.163986   0.067523
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.197161   0.078947   0.004354
-    0SOL     H2    2   0.280452   0.039772  -0.021921
-    0SOL     H3    3   0.155634   0.012456   0.059278
-    1SOL     O4    4  -0.199658  -0.073799   0.001064
-    1SOL     H5    5  -0.251004  -0.012285  -0.051299
-    1SOL     H6    6  -0.147253  -0.121913  -0.062975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026965   0.072884  -0.207428
-    0SOL     H2    2  -0.003093  -0.018530  -0.192070
-    0SOL     H3    3  -0.078968   0.097297  -0.130864
-    1SOL     O4    4   0.032393  -0.063821   0.200938
-    1SOL     H5    5   0.020644  -0.142739   0.148060
-    1SOL     H6    6  -0.027689  -0.075118   0.274592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123692  -0.115471  -0.127172
-    0SOL     H2    2  -0.211097  -0.107219  -0.165311
-    0SOL     H3    3  -0.134543  -0.178128  -0.055628
-    1SOL     O4    4   0.123389   0.115862   0.124453
-    1SOL     H5    5   0.184268   0.129865   0.051927
-    1SOL     H6    6   0.168675   0.151291   0.200980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.169663  -0.128310   0.009104
-    0SOL     H2    2  -0.113039  -0.193905   0.049764
-    0SOL     H3    3  -0.218769  -0.176797  -0.057229
-    1SOL     O4    4   0.166477   0.137976  -0.012943
-    1SOL     H5    5   0.115333   0.093460   0.054622
-    1SOL     H6    6   0.257626   0.121648   0.011296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000560  -0.015662   0.211064
-    0SOL     H2    2   0.093858  -0.024656   0.198153
-    0SOL     H3    3  -0.010389   0.002351   0.304559
-    1SOL     O4    4  -0.009227   0.013847  -0.221280
-    1SOL     H5    5  -0.014047   0.079753  -0.152031
-    1SOL     H6    6   0.073209  -0.032019  -0.205062
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021420  -0.202317  -0.093026
-    0SOL     H2    2   0.069863  -0.203544  -0.064249
-    0SOL     H3    3  -0.059994  -0.280665  -0.053834
-    1SOL     O4    4   0.020045   0.206697   0.095513
-    1SOL     H5    5  -0.047233   0.153287   0.053283
-    1SOL     H6    6   0.059930   0.256101   0.023883
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.176249   0.124189  -0.050149
-    0SOL     H2    2   0.167427   0.219502  -0.050160
-    0SOL     H3    3   0.270337   0.108796  -0.058676
-    1SOL     O4    4  -0.175835  -0.125538   0.049015
-    1SOL     H5    5  -0.206085  -0.210583   0.017161
-    1SOL     H6    6  -0.242964  -0.098041   0.111465
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019012  -0.159979  -0.158554
-    0SOL     H2    2   0.053109  -0.162162  -0.247969
-    0SOL     H3    3  -0.075010  -0.145436  -0.169072
-    1SOL     O4    4  -0.013628   0.160659   0.157327
-    1SOL     H5    5   0.012517   0.202545   0.239328
-    1SOL     H6    6  -0.080972   0.097654   0.182968
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063873  -0.211921   0.081958
-    0SOL     H2    2  -0.034524  -0.266726   0.009176
-    0SOL     H3    3   0.011927  -0.157397   0.103029
-    1SOL     O4    4   0.058208   0.205429  -0.077932
-    1SOL     H5    5   0.088345   0.278141  -0.023461
-    1SOL     H6    6   0.011476   0.247339  -0.150195
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.142176  -0.190709   0.024507
-    0SOL     H2    2   0.065408  -0.196354  -0.032390
-    0SOL     H3    3   0.204171  -0.136388  -0.024157
-    1SOL     O4    4  -0.135353   0.186618  -0.013484
-    1SOL     H5    5  -0.136238   0.230249  -0.098678
-    1SOL     H6    6  -0.226309   0.160610   0.001105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091142   0.182217   0.151508
-    0SOL     H2    2  -0.093347   0.104627   0.095497
-    0SOL     H3    3  -0.166596   0.172084   0.209529
-    1SOL     O4    4   0.096929  -0.182562  -0.147344
-    1SOL     H5    5   0.068544  -0.093805  -0.125465
-    1SOL     H6    6   0.100262  -0.183798  -0.242998
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135196  -0.207711  -0.027898
-    0SOL     H2    2  -0.191632  -0.196051  -0.104327
-    0SOL     H3    3  -0.195833  -0.222453   0.044684
-    1SOL     O4    4   0.144420   0.211121   0.033074
-    1SOL     H5    5   0.164944   0.218729  -0.060110
-    1SOL     H6    6   0.078446   0.141913   0.037544
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000700  -0.249838   0.074866
-    0SOL     H2    2  -0.030177  -0.170716   0.029774
-    0SOL     H3    3   0.078723  -0.222965   0.121043
-    1SOL     O4    4   0.002277   0.238447  -0.072641
-    1SOL     H5    5   0.030825   0.327357  -0.093673
-    1SOL     H6    6  -0.092341   0.239575  -0.087085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111998   0.187345  -0.158938
-    0SOL     H2    2  -0.018346   0.193224  -0.140038
-    0SOL     H3    3  -0.128905   0.093521  -0.167519
-    1SOL     O4    4   0.109399  -0.176625   0.152978
-    1SOL     H5    5   0.135407  -0.268660   0.156909
-    1SOL     H6    6   0.051145  -0.164921   0.228023
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.152973  -0.093879  -0.197228
-    0SOL     H2    2  -0.132994  -0.184915  -0.175419
-    0SOL     H3    3  -0.228754  -0.099227  -0.255460
-    1SOL     O4    4   0.162834   0.098161   0.199346
-    1SOL     H5    5   0.096889   0.051225   0.250440
-    1SOL     H6    6   0.112382   0.157959   0.144200
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137715  -0.095044  -0.215533
-    0SOL     H2    2   0.110132  -0.148894  -0.141361
-    0SOL     H3    3   0.085812  -0.127285  -0.289214
-    1SOL     O4    4  -0.128729   0.104073   0.220702
-    1SOL     H5    5  -0.112746   0.016007   0.186771
-    1SOL     H6    6  -0.198667   0.138796   0.165337
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.217192   0.153856  -0.139384
-    0SOL     H2    2  -0.211958   0.059963  -0.157246
-    0SOL     H3    3  -0.196412   0.161769  -0.046283
-    1SOL     O4    4   0.210890  -0.152907   0.138548
-    1SOL     H5    5   0.288577  -0.113592   0.178315
-    1SOL     H6    6   0.218626  -0.132380   0.045376
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.158136   0.252749  -0.005729
-    0SOL     H2    2   0.230235   0.288754   0.045920
-    0SOL     H3    3   0.104966   0.204554   0.057615
-    1SOL     O4    4  -0.162642  -0.256268  -0.001185
-    1SOL     H5    5  -0.170521  -0.162578  -0.019142
-    1SOL     H6    6  -0.076741  -0.265672   0.039984
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072125  -0.215809   0.203256
-    0SOL     H2    2   0.007465  -0.173683   0.235708
-    0SOL     H3    3  -0.118914  -0.242811   0.282275
-    1SOL     O4    4   0.068026   0.213564  -0.215672
-    1SOL     H5    5   0.153939   0.185868  -0.183824
-    1SOL     H6    6   0.034992   0.272253  -0.147652
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064723  -0.301514  -0.123749
-    0SOL     H2    2  -0.064796  -0.363702  -0.050983
-    0SOL     H3    3  -0.136843  -0.241674  -0.104250
-    1SOL     O4    4   0.072638   0.301022   0.121761
-    1SOL     H5    5   0.067510   0.362748   0.048782
-    1SOL     H6    6  -0.011395   0.255210   0.120396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.208719   0.247142  -0.097623
-    0SOL     H2    2  -0.179422   0.337820  -0.106650
-    0SOL     H3    3  -0.129512   0.194943  -0.110423
-    1SOL     O4    4   0.206407  -0.243962   0.102559
-    1SOL     H5    5   0.166169  -0.232209   0.016507
-    1SOL     H6    6   0.194329  -0.336861   0.122213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.235646  -0.200502  -0.135632
-    0SOL     H2    2   0.165006  -0.139868  -0.157898
-    0SOL     H3    3   0.278877  -0.218665  -0.219079
-    1SOL     O4    4  -0.233466   0.202465   0.146334
-    1SOL     H5    5  -0.273663   0.213629   0.060184
-    1SOL     H6    6  -0.206878   0.110542   0.148680
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134748  -0.059302   0.311737
-    0SOL     H2    2  -0.054988  -0.043031   0.261380
-    0SOL     H3    3  -0.192433   0.013808   0.289609
-    1SOL     O4    4   0.129937   0.059903  -0.307528
-    1SOL     H5    5   0.179597   0.019808  -0.236194
-    1SOL     H6    6   0.143385   0.001318  -0.382022
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.324403   0.069386   0.111720
-    0SOL     H2    2   0.310556   0.134790   0.180224
-    0SOL     H3    3   0.406107   0.025933   0.136188
-    1SOL     O4    4  -0.329520  -0.067610  -0.111609
-    1SOL     H5    5  -0.246385  -0.111625  -0.129315
-    1SOL     H6    6  -0.381072  -0.080782  -0.191178
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.354371  -0.017261   0.040500
-    0SOL     H2    2   0.437713  -0.055278   0.012732
-    0SOL     H3    3   0.289390  -0.084610   0.020400
-    1SOL     O4    4  -0.358120   0.024292  -0.032649
-    1SOL     H5    5  -0.343507  -0.061678  -0.072120
-    1SOL     H6    6  -0.317262   0.085883  -0.093473
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.174912   0.077772   0.341243
-    0SOL     H2    2  -0.250014   0.029110   0.375214
-    0SOL     H3    3  -0.160097   0.041224   0.254024
-    1SOL     O4    4   0.181591  -0.067399  -0.339693
-    1SOL     H5    5   0.179992  -0.124120  -0.262606
-    1SOL     H6    6   0.121785  -0.109310  -0.401572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.379048  -0.021019  -0.164352
-    0SOL     H2    2   0.431398  -0.090698  -0.203934
-    0SOL     H3    3   0.406909  -0.019129  -0.072797
-    1SOL     O4    4  -0.382665   0.030705   0.163453
-    1SOL     H5    5  -0.425912  -0.043682   0.205389
-    1SOL     H6    6  -0.366433   0.001568   0.073732
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.354783  -0.178521  -0.144805
-    0SOL     H2    2   0.274972  -0.127878  -0.129716
-    0SOL     H3    3   0.419672  -0.113560  -0.171857
-    1SOL     O4    4  -0.355352   0.168538   0.148884
-    1SOL     H5    5  -0.402740   0.245858   0.118254
-    1SOL     H6    6  -0.273170   0.169760   0.099824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.184247   0.331334  -0.251318
-    0SOL     H2    2   0.246278   0.385372  -0.300250
-    0SOL     H3    3   0.144603   0.391441  -0.188248
-    1SOL     O4    4  -0.184840  -0.337554   0.257468
-    1SOL     H5    5  -0.261991  -0.361962   0.206338
-    1SOL     H6    6  -0.118549  -0.315739   0.191955
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.397231   0.254110   0.043597
-    0SOL     H2    2  -0.336607   0.326660   0.028644
-    0SOL     H3    3  -0.358301   0.204801   0.115814
-    1SOL     O4    4   0.390976  -0.259078  -0.051469
-    1SOL     H5    5   0.374176  -0.165462  -0.040687
-    1SOL     H6    6   0.425383  -0.287206   0.033309
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116320  -0.454912  -0.137429
-    0SOL     H2    2   0.119700  -0.431520  -0.044673
-    0SOL     H3    3   0.207575  -0.452225  -0.166197
-    1SOL     O4    4  -0.117776   0.448677   0.130837
-    1SOL     H5    5  -0.094312   0.493536   0.212075
-    1SOL     H6    6  -0.200323   0.489085   0.104089
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.286733   0.423090  -0.019769
-    0SOL     H2    2  -0.379493   0.399909  -0.015246
-    0SOL     H3    3  -0.266493   0.422941  -0.113324
-    1SOL     O4    4   0.289743  -0.427066   0.028018
-    1SOL     H5    5   0.348240  -0.356306   0.055100
-    1SOL     H6    6   0.250367  -0.395804  -0.053435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108581   0.124162   0.550193
-    0SOL     H2    2  -0.096656   0.154812   0.460300
-    0SOL     H3    3  -0.090188   0.200911   0.604355
-    1SOL     O4    4   0.112485  -0.132739  -0.549803
-    1SOL     H5    5   0.051704  -0.149512  -0.477785
-    1SOL     H6    6   0.073846  -0.059069  -0.597153
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.475417   0.404610   0.071872
-    0SOL     H2    2   0.513340   0.462594   0.005826
-    0SOL     H3    3   0.533548   0.328576   0.073278
-    1SOL     O4    4  -0.485597  -0.407184  -0.064718
-    1SOL     H5    5  -0.505408  -0.330138  -0.117951
-    1SOL     H6    6  -0.390644  -0.417233  -0.071446
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026663  -0.110841  -0.068396
-    0SOL     H2    2   0.041441  -0.031654  -0.120100
-    0SOL     H3    3   0.112423  -0.153155  -0.064259
-    1SOL     O4    4  -0.035507   0.114263   0.071819
-    1SOL     H5    5  -0.055937   0.038762   0.016642
-    1SOL     H6    6   0.048804   0.092730   0.111698
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049507   0.112698   0.056003
-    0SOL     H2    2  -0.009087   0.145577  -0.024293
-    0SOL     H3    3   0.021141   0.113687   0.120580
-    1SOL     O4    4   0.042113  -0.119523  -0.058694
-    1SOL     H5    5   0.125489  -0.118949  -0.011680
-    1SOL     H6    6   0.003502  -0.033926  -0.040128
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118257  -0.064775   0.035277
-    0SOL     H2    2   0.093790  -0.154109   0.011128
-    0SOL     H3    3   0.046265  -0.010605   0.002948
-    1SOL     O4    4  -0.110777   0.065929  -0.038105
-    1SOL     H5    5  -0.167742   0.006893   0.011211
-    1SOL     H6    6  -0.088864   0.135487   0.023894
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033830  -0.065791   0.109159
-    0SOL     H2    2  -0.005538  -0.046302   0.198501
-    0SOL     H3    3  -0.123633  -0.032958   0.104722
-    1SOL     O4    4   0.035148   0.067565  -0.116849
-    1SOL     H5    5   0.092003   0.001761  -0.156845
-    1SOL     H6    6   0.023902   0.037872  -0.026548
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006588   0.083031   0.112794
-    0SOL     H2    2  -0.088744   0.105341   0.069033
-    0SOL     H3    3  -0.031625   0.019575   0.179942
-    1SOL     O4    4   0.011732  -0.076572  -0.118529
-    1SOL     H5    5  -0.009363  -0.065490  -0.025823
-    1SOL     H6    6   0.037138  -0.168511  -0.126537
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035647  -0.100555  -0.089238
-    0SOL     H2    2  -0.126077  -0.131569  -0.084478
-    0SOL     H3    3  -0.028137  -0.061765  -0.176424
-    1SOL     O4    4   0.044816   0.101022   0.098311
-    1SOL     H5    5   0.041788   0.034503   0.029548
-    1SOL     H6    6  -0.038896   0.146868   0.091056
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.091099   0.107539  -0.046321
-    0SOL     H2    2   0.069690   0.148793   0.037358
-    0SOL     H3    3   0.074573   0.014342  -0.032054
-    1SOL     O4    4  -0.084090  -0.100968   0.044155
-    1SOL     H5    5  -0.090600  -0.194478   0.024766
-    1SOL     H6    6  -0.163783  -0.063149   0.006993
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097819   0.040078   0.093954
-    0SOL     H2    2   0.192901   0.029235   0.091961
-    0SOL     H3    3   0.066234  -0.034428   0.145077
-    1SOL     O4    4  -0.107273  -0.035747  -0.099050
-    1SOL     H5    5  -0.054233  -0.113556  -0.081879
-    1SOL     H6    6  -0.051474   0.037551  -0.073046
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139724  -0.017820  -0.036620
-    0SOL     H2    2  -0.073187   0.032198   0.010638
-    0SOL     H3    3  -0.215693  -0.017708   0.021612
-    1SOL     O4    4   0.133984   0.014668   0.033337
-    1SOL     H5    5   0.171527  -0.037237  -0.037788
-    1SOL     H6    6   0.204861   0.072994   0.060482
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095527   0.076511  -0.071740
-    0SOL     H2    2  -0.018044   0.070904  -0.127662
-    0SOL     H3    3  -0.169261   0.076024  -0.132776
-    1SOL     O4    4   0.097665  -0.078833   0.083830
-    1SOL     H5    5   0.119162  -0.093178  -0.008336
-    1SOL     H6    6   0.026723  -0.014591   0.082209
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020930  -0.059215   0.137397
-    0SOL     H2    2   0.031684  -0.019126   0.068210
-    0SOL     H3    3  -0.048158  -0.143483   0.101066
-    1SOL     O4    4   0.018853   0.063264  -0.124065
-    1SOL     H5    5   0.007029  -0.020625  -0.168619
-    1SOL     H6    6   0.039357   0.125034  -0.194253
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.093635  -0.091771   0.058246
-    0SOL     H2    2   0.132032  -0.048507   0.134511
-    0SOL     H3    3   0.168795  -0.124725   0.008979
-    1SOL     O4    4  -0.100452   0.091744  -0.066501
-    1SOL     H5    5  -0.042725   0.035046  -0.015362
-    1SOL     H6    6  -0.146213   0.144621  -0.001139
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019896  -0.025021   0.149022
-    0SOL     H2    2   0.047185   0.005728   0.062581
-    0SOL     H3    3   0.008401  -0.119451   0.138377
-    1SOL     O4    4  -0.015843   0.025842  -0.142279
-    1SOL     H5    5  -0.107558  -0.001496  -0.140452
-    1SOL     H6    6  -0.018545   0.116989  -0.171387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070527   0.102649   0.087020
-    0SOL     H2    2  -0.017028   0.062562   0.018513
-    0SOL     H3    3  -0.156804   0.113286   0.046952
-    1SOL     O4    4   0.070455  -0.094503  -0.083269
-    1SOL     H5    5   0.155840  -0.136416  -0.093985
-    1SOL     H6    6   0.015929  -0.161372  -0.041824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120465   0.027614   0.086426
-    0SOL     H2    2   0.105622   0.028609   0.180983
-    0SOL     H3    3   0.033456   0.039524   0.048348
-    1SOL     O4    4  -0.113132  -0.023382  -0.088419
-    1SOL     H5    5  -0.170889  -0.074586  -0.031810
-    1SOL     H6    6  -0.097633  -0.079776  -0.164194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108312  -0.002120  -0.107976
-    0SOL     H2    2   0.160454   0.065783  -0.065166
-    0SOL     H3    3   0.017644   0.020833  -0.087610
-    1SOL     O4    4  -0.110371   0.000402   0.106080
-    1SOL     H5    5  -0.018509  -0.002467   0.132829
-    1SOL     H6    6  -0.118898  -0.070120   0.041922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043875  -0.124185  -0.054317
-    0SOL     H2    2  -0.133875  -0.154931  -0.043504
-    0SOL     H3    3  -0.019349  -0.152268  -0.142477
-    1SOL     O4    4   0.053605   0.128117   0.061172
-    1SOL     H5    5   0.014204   0.057864   0.009457
-    1SOL     H6    6  -0.016084   0.193077   0.070441
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053292   0.132148   0.033515
-    0SOL     H2    2   0.107322   0.211157   0.034333
-    0SOL     H3    3   0.071533   0.091476  -0.051193
-    1SOL     O4    4  -0.059597  -0.136062  -0.034708
-    1SOL     H5    5   0.013441  -0.174564   0.013721
-    1SOL     H6    6  -0.092653  -0.066939   0.022666
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113099   0.097272   0.010073
-    0SOL     H2    2   0.133198   0.177268   0.058642
-    0SOL     H3    3   0.031054   0.066018   0.048207
-    1SOL     O4    4  -0.106343  -0.095190  -0.020416
-    1SOL     H5    5  -0.062856  -0.158851   0.036317
-    1SOL     H6    6  -0.198840  -0.100953   0.003527
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.029968   0.017463   0.147864
-    0SOL     H2    2   0.024768  -0.036750   0.204672
-    0SOL     H3    3   0.026486   0.039060   0.073642
-    1SOL     O4    4   0.020347  -0.009632  -0.144773
-    1SOL     H5    5   0.034317  -0.089285  -0.093561
-    1SOL     H6    6   0.063679  -0.026929  -0.228352
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065673   0.102666  -0.083260
-    0SOL     H2    2  -0.108610   0.133194  -0.003343
-    0SOL     H3    3  -0.026368   0.181384  -0.120956
-    1SOL     O4    4   0.068248  -0.114085   0.081574
-    1SOL     H5    5   0.022498  -0.081011   0.004274
-    1SOL     H6    6   0.063584  -0.042329   0.144754
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068503   0.128165   0.032029
-    0SOL     H2    2  -0.137187   0.100909   0.092872
-    0SOL     H3    3  -0.004766   0.174027   0.086770
-    1SOL     O4    4   0.075415  -0.129489  -0.040356
-    1SOL     H5    5   0.036257  -0.049058  -0.006299
-    1SOL     H6    6   0.010159  -0.197270  -0.022760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085184  -0.065404   0.114049
-    0SOL     H2    2  -0.077338  -0.013462   0.034032
-    0SOL     H3    3  -0.015873  -0.131038   0.106947
-    1SOL     O4    4   0.074701   0.067210  -0.108977
-    1SOL     H5    5   0.145121   0.131607  -0.101477
-    1SOL     H6    6   0.119771  -0.016250  -0.121843
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042802   0.120464   0.082047
-    0SOL     H2    2  -0.015491   0.192308   0.106598
-    0SOL     H3    3  -0.006117   0.041227   0.104202
-    1SOL     O4    4  -0.039395  -0.125665  -0.081107
-    1SOL     H5    5  -0.072026  -0.035797  -0.076489
-    1SOL     H6    6   0.032690  -0.121822  -0.143966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104918   0.067299   0.095837
-    0SOL     H2    2   0.017619   0.073600   0.057089
-    0SOL     H3    3   0.108186  -0.020658   0.133456
-    1SOL     O4    4  -0.100568  -0.055844  -0.094800
-    1SOL     H5    5  -0.029060  -0.118179  -0.082022
-    1SOL     H6    6  -0.172129  -0.108412  -0.130549
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127284  -0.020371   0.083914
-    0SOL     H2    2  -0.153565  -0.109433   0.107142
-    0SOL     H3    3  -0.034922  -0.028071   0.059994
-    1SOL     O4    4   0.120620   0.025051  -0.079226
-    1SOL     H5    5   0.090318   0.053122  -0.165575
-    1SOL     H6    6   0.215548   0.017036  -0.088541
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048080   0.130837  -0.050174
-    0SOL     H2    2  -0.077650   0.115342  -0.139884
-    0SOL     H3    3  -0.058798   0.225081  -0.037314
-    1SOL     O4    4   0.044257  -0.135687   0.057042
-    1SOL     H5    5   0.090796  -0.193780  -0.003138
-    1SOL     H6    6   0.093409  -0.053607   0.053990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020989   0.138417   0.076536
-    0SOL     H2    2  -0.011030   0.182711  -0.002046
-    0SOL     H3    3  -0.002529   0.046542   0.063563
-    1SOL     O4    4  -0.013546  -0.135499  -0.076205
-    1SOL     H5    5  -0.104970  -0.109068  -0.086471
-    1SOL     H6    6  -0.008325  -0.169685   0.013050
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025233  -0.149896   0.035681
-    0SOL     H2    2   0.066073  -0.184641  -0.043611
-    0SOL     H3    3   0.084469  -0.080567   0.064782
-    1SOL     O4    4  -0.025068   0.150397  -0.035826
-    1SOL     H5    5  -0.085537   0.200412   0.018986
-    1SOL     H6    6  -0.061681   0.061971  -0.037441
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025217  -0.048031   0.151578
-    0SOL     H2    2   0.013821  -0.077692   0.061286
-    0SOL     H3    3   0.023248   0.047499   0.145887
-    1SOL     O4    4  -0.027532   0.047021  -0.140587
-    1SOL     H5    5   0.051890   0.074790  -0.186231
-    1SOL     H6    6  -0.060046  -0.026983  -0.191857
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140132  -0.034917  -0.064157
-    0SOL     H2    2   0.232501  -0.029689  -0.039602
-    0SOL     H3    3   0.093810   0.008944   0.007206
-    1SOL     O4    4  -0.141144   0.028779   0.052065
-    1SOL     H5    5  -0.209384   0.002847   0.113977
-    1SOL     H6    6  -0.103906   0.108639   0.089455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073135   0.101312  -0.107401
-    0SOL     H2    2   0.073663   0.007797  -0.086980
-    0SOL     H3    3  -0.007807   0.133996  -0.068127
-    1SOL     O4    4  -0.073780  -0.101364   0.103703
-    1SOL     H5    5  -0.047940  -0.042103   0.174292
-    1SOL     H6    6  -0.001644  -0.096832   0.040949
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068688  -0.121335  -0.084890
-    0SOL     H2    2  -0.025767  -0.046944  -0.042628
-    0SOL     H3    3  -0.065286  -0.191262  -0.019613
-    1SOL     O4    4   0.071256   0.120025   0.074993
-    1SOL     H5    5   0.002858   0.186283   0.065305
-    1SOL     H6    6   0.049482   0.074796   0.156495
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026265  -0.035060   0.153568
-    0SOL     H2    2  -0.025654  -0.130772   0.154684
-    0SOL     H3    3   0.065634  -0.010600   0.142680
-    1SOL     O4    4   0.018636   0.042057  -0.157292
-    1SOL     H5    5   0.113131   0.033762  -0.144478
-    1SOL     H6    6  -0.019741  -0.013940  -0.089809
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060566  -0.106948  -0.116571
-    0SOL     H2    2  -0.014878  -0.163495  -0.054304
-    0SOL     H3    3  -0.038979  -0.018009  -0.088533
-    1SOL     O4    4   0.051155   0.106424   0.109522
-    1SOL     H5    5   0.072990   0.090557   0.201358
-    1SOL     H6    6   0.134063   0.095595   0.062925
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067695  -0.088507  -0.117686
-    0SOL     H2    2  -0.029770  -0.167138  -0.078428
-    0SOL     H3    3  -0.075712  -0.109603  -0.210708
-    1SOL     O4    4   0.061183   0.093067   0.123135
-    1SOL     H5    5   0.080507   0.113099   0.031551
-    1SOL     H6    6   0.147071   0.086058   0.164806
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.154579   0.066452  -0.011587
-    0SOL     H2    2  -0.189209   0.101602  -0.093609
-    0SOL     H3    3  -0.077556   0.015989  -0.037725
-    1SOL     O4    4   0.149223  -0.060003   0.016311
-    1SOL     H5    5   0.236775  -0.074096   0.052344
-    1SOL     H6    6   0.117806  -0.147767  -0.005432
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013318  -0.161893  -0.003866
-    0SOL     H2    2   0.075712  -0.195412  -0.014467
-    0SOL     H3    3  -0.067740  -0.221716  -0.055070
-    1SOL     O4    4   0.014759   0.169669   0.008055
-    1SOL     H5    5  -0.062130   0.144871   0.059391
-    1SOL     H6    6   0.006667   0.119485  -0.073053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082097   0.139621   0.027107
-    0SOL     H2    2  -0.159947   0.193460   0.012856
-    0SOL     H3    3  -0.072728   0.135694   0.122287
-    1SOL     O4    4   0.081464  -0.147649  -0.033764
-    1SOL     H5    5   0.067266  -0.053004  -0.035545
-    1SOL     H6    6   0.171104  -0.157871  -0.001786
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037757   0.126329   0.104330
-    0SOL     H2    2  -0.025664   0.125221   0.009383
-    0SOL     H3    3  -0.053043   0.218418   0.125502
-    1SOL     O4    4   0.040148  -0.135939  -0.096372
-    1SOL     H5    5   0.079480  -0.048674  -0.096918
-    1SOL     H6    6  -0.029230  -0.131405  -0.162163
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099454  -0.129858  -0.001140
-    0SOL     H2    2  -0.156820  -0.130892   0.075479
-    0SOL     H3    3  -0.138755  -0.192996  -0.061400
-    1SOL     O4    4   0.107231   0.139624   0.000021
-    1SOL     H5    5   0.122476   0.062933  -0.055192
-    1SOL     H6    6   0.048736   0.108286   0.069003
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099071   0.133998   0.062390
-    0SOL     H2    2  -0.031527   0.132802  -0.005424
-    0SOL     H3    3  -0.089985   0.049693   0.106801
-    1SOL     O4    4   0.093629  -0.128317  -0.055325
-    1SOL     H5    5   0.076094  -0.072166  -0.130836
-    1SOL     H6    6   0.135448  -0.206027  -0.092400
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069397  -0.069488   0.143208
-    0SOL     H2    2   0.010839  -0.108598   0.078372
-    0SOL     H3    3   0.050956  -0.117233   0.224094
-    1SOL     O4    4  -0.065566   0.068624  -0.148734
-    1SOL     H5    5  -0.019774   0.077029  -0.065100
-    1SOL     H6    6  -0.103669   0.155091  -0.164028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063019  -0.103614   0.134089
-    0SOL     H2    2  -0.002254  -0.049680   0.083483
-    0SOL     H3    3  -0.119084  -0.144757   0.068314
-    1SOL     O4    4   0.064579   0.109336  -0.129558
-    1SOL     H5    5  -0.020199   0.066753  -0.116838
-    1SOL     H6    6   0.128314   0.046567  -0.095497
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083061  -0.132224  -0.064228
-    0SOL     H2    2   0.087040  -0.158749  -0.156114
-    0SOL     H3    3   0.101735  -0.212341  -0.015291
-    1SOL     O4    4  -0.090015   0.140221   0.064795
-    1SOL     H5    5  -0.056893   0.133391   0.154341
-    1SOL     H6    6  -0.017238   0.110870   0.009983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074734  -0.053284   0.156562
-    0SOL     H2    2   0.006211  -0.092963   0.102779
-    0SOL     H3    3   0.146849  -0.037382   0.095662
-    1SOL     O4    4  -0.074282   0.049707  -0.145472
-    1SOL     H5    5  -0.153784   0.089974  -0.180406
-    1SOL     H6    6  -0.002826   0.094228  -0.191015
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153335   0.044273  -0.080433
-    0SOL     H2    2   0.164338  -0.048663  -0.100535
-    0SOL     H3    3   0.091158   0.075815  -0.146018
-    1SOL     O4    4  -0.153681  -0.043343   0.090251
-    1SOL     H5    5  -0.179556   0.017784   0.021284
-    1SOL     H6    6  -0.058579  -0.050183   0.081816
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029805   0.146078   0.109437
-    0SOL     H2    2  -0.111800   0.102317   0.086544
-    0SOL     H3    3   0.027946   0.129324   0.034963
-    1SOL     O4    4   0.025854  -0.139379  -0.103124
-    1SOL     H5    5   0.111407  -0.109363  -0.072432
-    1SOL     H6    6   0.042651  -0.226112  -0.139969
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058445  -0.104875  -0.134048
-    0SOL     H2    2   0.086067  -0.160887  -0.061509
-    0SOL     H3    3  -0.031947  -0.131071  -0.151524
-    1SOL     O4    4  -0.049918   0.113495   0.132471
-    1SOL     H5    5  -0.071343   0.042013   0.192417
-    1SOL     H6    6  -0.113338   0.104943   0.061287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043874   0.169202  -0.069440
-    0SOL     H2    2   0.059552   0.117556   0.009612
-    0SOL     H3    3  -0.051229   0.179471  -0.072930
-    1SOL     O4    4  -0.042628  -0.168025   0.070665
-    1SOL     H5    5   0.031452  -0.217660   0.035868
-    1SOL     H6    6  -0.058664  -0.099899   0.005365
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083549  -0.036500  -0.160816
-    0SOL     H2    2   0.144654  -0.093604  -0.114258
-    0SOL     H3    3   0.122052   0.050835  -0.153571
-    1SOL     O4    4  -0.086954   0.038911   0.162824
-    1SOL     H5    5  -0.154134  -0.029040   0.168460
-    1SOL     H6    6  -0.055048   0.033699   0.072729
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057849   0.059355  -0.162693
-    0SOL     H2    2   0.019674   0.121925  -0.224256
-    0SOL     H3    3   0.022506  -0.025425  -0.189629
-    1SOL     O4    4  -0.059212  -0.055151   0.168207
-    1SOL     H5    5   0.017752  -0.030069   0.219292
-    1SOL     H6    6  -0.029713  -0.129139   0.115123
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071322  -0.157627   0.063057
-    0SOL     H2    2  -0.106855  -0.241481   0.092522
-    0SOL     H3    3  -0.138394  -0.093531   0.086623
-    1SOL     O4    4   0.081138   0.158277  -0.070424
-    1SOL     H5    5   0.047542   0.232172  -0.019698
-    1SOL     H6    6   0.036120   0.081921  -0.034294
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094282  -0.074083  -0.156647
-    0SOL     H2    2  -0.107801  -0.073809  -0.061887
-    0SOL     H3    3  -0.011469  -0.120485  -0.168941
-    1SOL     O4    4   0.095719   0.078283   0.154295
-    1SOL     H5    5   0.009660   0.059284   0.191647
-    1SOL     H6    6   0.082231   0.074156   0.059620
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029553  -0.181869  -0.061651
-    0SOL     H2    2  -0.091430  -0.118300  -0.025700
-    0SOL     H3    3  -0.038109  -0.172670  -0.156543
-    1SOL     O4    4   0.029414   0.180413   0.060786
-    1SOL     H5    5   0.013375   0.166434   0.154112
-    1SOL     H6    6   0.118399   0.148111   0.046626
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.153067  -0.063404  -0.109557
-    0SOL     H2    2  -0.102448  -0.138944  -0.079661
-    0SOL     H3    3  -0.185913  -0.023181  -0.029148
-    1SOL     O4    4   0.151210   0.067657   0.109887
-    1SOL     H5    5   0.158541  -0.023942   0.083089
-    1SOL     H6    6   0.158934   0.117206   0.028355
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.177809   0.014005  -0.093767
-    0SOL     H2    2   0.097314   0.027961  -0.043886
-    0SOL     H3    3   0.203009  -0.076180  -0.073921
-    1SOL     O4    4  -0.180210  -0.007859   0.086279
-    1SOL     H5    5  -0.107185   0.047773   0.113385
-    1SOL     H6    6  -0.159165  -0.094155   0.121950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082891   0.079522   0.157742
-    0SOL     H2    2  -0.053457   0.170565   0.160407
-    0SOL     H3    3  -0.170710   0.083790   0.119901
-    1SOL     O4    4   0.085354  -0.083204  -0.162515
-    1SOL     H5    5   0.139331  -0.036441  -0.098781
-    1SOL     H6    6   0.046517  -0.155214  -0.112830
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030518  -0.042887   0.185983
-    0SOL     H2    2   0.114576  -0.068192   0.147823
-    0SOL     H3    3   0.022357  -0.097314   0.264299
-    1SOL     O4    4  -0.029941   0.050499  -0.190827
-    1SOL     H5    5  -0.050283   0.022351  -0.101629
-    1SOL     H6    6  -0.108394   0.028973  -0.241266
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.174620  -0.036649  -0.077905
-    0SOL     H2    2   0.189304  -0.085319  -0.159010
-    0SOL     H3    3   0.250814   0.020781  -0.070250
-    1SOL     O4    4  -0.173986   0.037698   0.078143
-    1SOL     H5    5  -0.228219   0.100019   0.126489
-    1SOL     H6    6  -0.213559  -0.047576   0.096161
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069517   0.016100   0.196003
-    0SOL     H2    2   0.124690   0.089044   0.167763
-    0SOL     H3    3   0.004650   0.006666   0.126250
-    1SOL     O4    4  -0.070766  -0.025973  -0.193761
-    1SOL     H5    5  -0.126819   0.035040  -0.145825
-    1SOL     H6    6   0.014707   0.017032  -0.196472
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.182278   0.002566   0.106161
-    0SOL     H2    2   0.148162  -0.077664   0.145677
-    0SOL     H3    3   0.105358   0.045412   0.068612
-    1SOL     O4    4  -0.178037  -0.004309  -0.111710
-    1SOL     H5    5  -0.187142  -0.030042  -0.019965
-    1SOL     H6    6  -0.136474   0.081855  -0.108457
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006792  -0.068777   0.198648
-    0SOL     H2    2  -0.028229   0.017024   0.174690
-    0SOL     H3    3   0.078886  -0.049394   0.258558
-    1SOL     O4    4  -0.009658   0.068316  -0.201858
-    1SOL     H5    5   0.052565   0.027330  -0.141768
-    1SOL     H6    6  -0.058686  -0.004897  -0.239255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101052  -0.179706   0.018821
-    0SOL     H2    2   0.163473  -0.246279   0.047699
-    0SOL     H3    3   0.033008  -0.228924  -0.027113
-    1SOL     O4    4  -0.101535   0.179495  -0.017769
-    1SOL     H5    5  -0.048262   0.230238   0.043464
-    1SOL     H6    6  -0.138788   0.244810  -0.077000
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.151737  -0.109869   0.110953
-    0SOL     H2    2   0.087801  -0.155805   0.056506
-    0SOL     H3    3   0.192562  -0.178790   0.163350
-    1SOL     O4    4  -0.148813   0.121477  -0.114468
-    1SOL     H5    5  -0.215577   0.114033  -0.046281
-    1SOL     H6    6  -0.112390   0.033289  -0.122121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132395   0.081838   0.158203
-    0SOL     H2    2  -0.151245   0.072867   0.251619
-    0SOL     H3    3  -0.036875   0.085518   0.153240
-    1SOL     O4    4   0.131969  -0.077973  -0.160464
-    1SOL     H5    5   0.076921  -0.142200  -0.115664
-    1SOL     H6    6   0.105913  -0.083984  -0.252373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.185412  -0.038789   0.110977
-    0SOL     H2    2  -0.219308   0.009561   0.186314
-    0SOL     H3    3  -0.263463  -0.072526   0.067021
-    1SOL     O4    4   0.187702   0.035143  -0.115322
-    1SOL     H5    5   0.205704   0.128937  -0.108922
-    1SOL     H6    6   0.263186  -0.006664  -0.073890
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.215547  -0.088466   0.012365
-    0SOL     H2    2   0.223591  -0.101943   0.106790
-    0SOL     H3    3   0.156899  -0.013308   0.003760
-    1SOL     O4    4  -0.218940   0.083813  -0.015174
-    1SOL     H5    5  -0.138886   0.088723   0.037071
-    1SOL     H6    6  -0.190347   0.102099  -0.104675
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.177524  -0.140230   0.063569
-    0SOL     H2    2   0.164396  -0.118997   0.155977
-    0SOL     H3    3   0.171944  -0.055942   0.018550
-    1SOL     O4    4  -0.174754   0.129191  -0.065048
-    1SOL     H5    5  -0.151301   0.183747  -0.140120
-    1SOL     H6    6  -0.233313   0.184059  -0.012869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140061   0.154829  -0.114080
-    0SOL     H2    2  -0.125672   0.061661  -0.130661
-    0SOL     H3    3  -0.208669   0.157017  -0.047368
-    1SOL     O4    4   0.142600  -0.146491   0.106068
-    1SOL     H5    5   0.217748  -0.190428   0.145876
-    1SOL     H6    6   0.068541  -0.170371   0.161810
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.152503   0.155331  -0.084885
-    0SOL     H2    2   0.103963   0.235560  -0.065660
-    0SOL     H3    3   0.186694   0.168571  -0.173304
-    1SOL     O4    4  -0.158087  -0.157594   0.088549
-    1SOL     H5    5  -0.091007  -0.159377   0.020288
-    1SOL     H6    6  -0.118819  -0.204732   0.162022
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009799   0.205818  -0.111976
-    0SOL     H2    2   0.102604   0.189594  -0.095052
-    0SOL     H3    3   0.007422   0.293253  -0.150859
-    1SOL     O4    4  -0.019789  -0.213996   0.108896
-    1SOL     H5    5   0.069350  -0.180486   0.099220
-    1SOL     H6    6  -0.043388  -0.193640   0.199401
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.212160  -0.112642   0.017967
-    0SOL     H2    2  -0.301448  -0.080257   0.006085
-    0SOL     H3    3  -0.158184  -0.033649   0.020994
-    1SOL     O4    4   0.210106   0.104189  -0.021950
-    1SOL     H5    5   0.296882   0.071128   0.001272
-    1SOL     H6    6   0.197933   0.180958   0.033912
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006426  -0.186365   0.145906
-    0SOL     H2    2   0.044337  -0.155248   0.228106
-    0SOL     H3    3   0.059992  -0.261966   0.121874
-    1SOL     O4    4  -0.014786   0.182664  -0.147697
-    1SOL     H5    5   0.078389   0.183969  -0.169584
-    1SOL     H6    6  -0.040382   0.274886  -0.146210
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.252108  -0.028963  -0.004288
-    0SOL     H2    2  -0.229055  -0.103413   0.051283
-    0SOL     H3    3  -0.168017   0.009666  -0.028758
-    1SOL     O4    4   0.238790   0.030647   0.003848
-    1SOL     H5    5   0.280209   0.039906  -0.081949
-    1SOL     H6    6   0.311617   0.032191   0.065946
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.156283  -0.160628  -0.107789
-    0SOL     H2    2  -0.243131  -0.120384  -0.108241
-    0SOL     H3    3  -0.170350  -0.247646  -0.070475
-    1SOL     O4    4   0.167193   0.159620   0.105685
-    1SOL     H5    5   0.125854   0.200718   0.181609
-    1SOL     H6    6   0.108416   0.179338   0.032754
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.215863  -0.053134   0.128730
-    0SOL     H2    2  -0.162032  -0.044670   0.207425
-    0SOL     H3    3  -0.219395   0.035369   0.092437
-    1SOL     O4    4   0.212439   0.041477  -0.136003
-    1SOL     H5    5   0.154030   0.051970  -0.060899
-    1SOL     H6    6   0.270986   0.117077  -0.131620
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023487   0.028436   0.258408
-    0SOL     H2    2   0.102966  -0.023487   0.270630
-    0SOL     H3    3   0.030436   0.062304   0.169150
-    1SOL     O4    4  -0.026867  -0.026554  -0.247584
-    1SOL     H5    5  -0.002582   0.025137  -0.324399
-    1SOL     H6    6  -0.082668  -0.096204  -0.282190
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058948   0.209902   0.155999
-    0SOL     H2    2   0.093540   0.167781   0.077313
-    0SOL     H3    3  -0.035085   0.217489   0.139793
-    1SOL     O4    4  -0.061772  -0.207419  -0.153561
-    1SOL     H5    5  -0.041932  -0.242303  -0.066660
-    1SOL     H6    6   0.023287  -0.181549  -0.189029
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.254022  -0.040362   0.068000
-    0SOL     H2    2   0.323881  -0.098308   0.037598
-    0SOL     H3    3   0.231475   0.012323  -0.008670
-    1SOL     O4    4  -0.261081   0.036713  -0.058695
-    1SOL     H5    5  -0.168797   0.054841  -0.040882
-    1SOL     H6    6  -0.282249   0.091803  -0.134056
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.219972  -0.091567   0.140883
-    0SOL     H2    2   0.260741  -0.022654   0.088431
-    0SOL     H3    3   0.173884  -0.146136   0.077161
-    1SOL     O4    4  -0.212968   0.088692  -0.133894
-    1SOL     H5    5  -0.291882   0.037410  -0.116430
-    1SOL     H6    6  -0.245162   0.177192  -0.151032
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.342597  -0.130792  -0.002259
-    0SOL     H2    2  -0.365214  -0.091967  -0.086777
-    0SOL     H3    3  -0.354958  -0.224855  -0.014981
-    1SOL     O4    4   0.344156   0.140537   0.010738
-    1SOL     H5    5   0.393478   0.106475  -0.063891
-    1SOL     H6    6   0.301733   0.063548   0.048622
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039686  -0.066129  -0.381318
-    0SOL     H2    2  -0.099557  -0.110484  -0.441406
-    0SOL     H3    3   0.016149  -0.135973  -0.347164
-    1SOL     O4    4   0.036588   0.069665   0.377341
-    1SOL     H5    5   0.022936   0.160391   0.404631
-    1SOL     H6    6   0.101729   0.035691   0.438699
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007000  -0.136771   0.371810
-    0SOL     H2    2   0.008811  -0.211884   0.314623
-    0SOL     H3    3   0.068820  -0.134682   0.430198
-    1SOL     O4    4   0.001249   0.144300  -0.377371
-    1SOL     H5    5  -0.012621   0.171176  -0.286555
-    1SOL     H6    6   0.024727   0.051679  -0.371670
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062878  -0.442484   0.024727
-    0SOL     H2    2   0.045347  -0.453414  -0.068737
-    0SOL     H3    3   0.083808  -0.349595   0.034517
-    1SOL     O4    4  -0.059140   0.440218  -0.024550
-    1SOL     H5    5  -0.047869   0.446256   0.070312
-    1SOL     H6    6  -0.138710   0.388260  -0.036004
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161570  -0.322784   0.300804
-    0SOL     H2    2  -0.178727  -0.245106   0.247569
-    0SOL     H3    3  -0.181561  -0.396400   0.242982
-    1SOL     O4    4   0.162635   0.323200  -0.300614
-    1SOL     H5    5   0.217868   0.254393  -0.263503
-    1SOL     H6    6   0.131218   0.372312  -0.224698
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000337   0.474576   0.091760
-    0SOL     H2    2  -0.036614   0.392024   0.060420
-    0SOL     H3    3   0.094845   0.464369   0.080519
-    1SOL     O4    4  -0.005978  -0.475800  -0.089660
-    1SOL     H5    5   0.025139  -0.419384  -0.160450
-    1SOL     H6    6  -0.000486  -0.421166  -0.011255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.162571   0.231792  -0.459265
-    0SOL     H2    2  -0.192766   0.182928  -0.382696
-    0SOL     H3    3  -0.144081   0.164583  -0.524866
-    1SOL     O4    4   0.159875  -0.230617   0.458456
-    1SOL     H5    5   0.130166  -0.143013   0.483059
-    1SOL     H6    6   0.252511  -0.219428   0.437110
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.414871  -0.448311  -0.030162
-    0SOL     H2    2   0.478949  -0.395308  -0.077564
-    0SOL     H3    3   0.387297  -0.514771  -0.093289
-    1SOL     O4    4  -0.410831   0.451335   0.035185
-    1SOL     H5    5  -0.441586   0.365027   0.062889
-    1SOL     H6    6  -0.490788   0.502518   0.022959
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.481729  -0.405994   0.029504
-    0SOL     H2    2  -0.437835  -0.451153  -0.042581
-    0SOL     H3    3  -0.574009  -0.404312   0.004127
-    1SOL     O4    4   0.490018   0.411097  -0.020691
-    1SOL     H5    5   0.472003   0.319870  -0.043394
-    1SOL     H6    6   0.413709   0.459284  -0.052585
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/00/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2   0.083464  -0.040318   0.114658
-    0SOL     H3    3  -0.002211  -0.157680   0.072175
-    1SOL     O4    4   0.004499   0.069895  -0.107194
-    1SOL     H5    5  -0.012195   0.008384  -0.035779
-    1SOL     H6    6  -0.030611   0.153224  -0.075794
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-    6
-    0SOL     O1    1  -0.054359   0.098094   0.055551
-    0SOL     H2    2  -0.016441   0.163334  -0.003341
-    0SOL     H3    3   0.020830   0.060526   0.101351
-    1SOL     O4    4   0.054196  -0.099651  -0.055938
-    1SOL     H5    5   0.004412  -0.181255  -0.050982
-    1SOL     H6    6  -0.010912  -0.030922  -0.041807
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.060305  -0.069803   0.089285
-    0SOL     H2    2  -0.021514  -0.105029   0.124313
-    0SOL     H3    3   0.073370   0.012277   0.136766
-    1SOL     O4    4  -0.053828   0.071636  -0.097971
-    1SOL     H5    5  -0.026827   0.041249  -0.011312
-    1SOL     H6    6  -0.135223   0.024472  -0.115656
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.111462  -0.035767  -0.036834
-    0SOL     H2    2  -0.121161  -0.105400  -0.101792
-    0SOL     H3    3  -0.200873  -0.006019  -0.020009
-    1SOL     O4    4   0.120982   0.034206   0.035706
-    1SOL     H5    5   0.025983   0.045401   0.032217
-    1SOL     H6    6   0.149136   0.090418   0.107886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.091306   0.042719   0.093456
-    0SOL     H2    2   0.047605  -0.024806   0.041563
-    0SOL     H3    3   0.046337   0.123889   0.069971
-    1SOL     O4    4  -0.084119  -0.038471  -0.090865
-    1SOL     H5    5  -0.036452  -0.121462  -0.092493
-    1SOL     H6    6  -0.168673  -0.060128  -0.051571
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019890  -0.078488  -0.111898
-    0SOL     H2    2  -0.046687  -0.011393  -0.049108
-    0SOL     H3    3   0.052902  -0.123636  -0.069175
-    1SOL     O4    4   0.012250   0.075410   0.100316
-    1SOL     H5    5   0.009876   0.049611   0.192463
-    1SOL     H6    6   0.091690   0.128192   0.092211
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.077359  -0.098610  -0.060861
-    0SOL     H2    2   0.079959  -0.033387   0.009150
-    0SOL     H3    3   0.004521  -0.071139  -0.116559
-    1SOL     O4    4  -0.070290   0.091141   0.052975
-    1SOL     H5    5  -0.116890   0.029280   0.109226
-    1SOL     H6    6  -0.068414   0.172575   0.103248
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054425  -0.110092   0.061232
-    0SOL     H2    2  -0.149127  -0.096203   0.062163
-    0SOL     H3    3  -0.018060  -0.025730   0.034342
-    1SOL     O4    4   0.055191   0.097420  -0.057746
-    1SOL     H5    5   0.044070   0.143451  -0.140932
-    1SOL     H6    6   0.105666   0.157926  -0.003399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047351   0.005842   0.118424
-    0SOL     H2    2  -0.020825  -0.002011   0.185153
-    0SOL     H3    3   0.099184   0.081493   0.145858
-    1SOL     O4    4  -0.049282  -0.005746  -0.124416
-    1SOL     H5    5  -0.008008  -0.040458  -0.045335
-    1SOL     H6    6  -0.028088  -0.069564  -0.192537
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.114114   0.048641   0.040744
-    0SOL     H2    2  -0.150086   0.039799   0.129006
-    0SOL     H3    3  -0.155279  -0.021931  -0.009129
-    1SOL     O4    4   0.119085  -0.049713  -0.044735
-    1SOL     H5    5   0.181871   0.019698  -0.064798
-    1SOL     H6    6   0.051245  -0.006455   0.007118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123753   0.049125   0.051817
-    0SOL     H2    2  -0.169102  -0.033713   0.036212
-    0SOL     H3    3  -0.060021   0.055369  -0.019328
-    1SOL     O4    4   0.117050  -0.045447  -0.047587
-    1SOL     H5    5   0.181072  -0.116559  -0.050131
-    1SOL     H6    6   0.168977   0.032970  -0.029795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110753   0.083989   0.032595
-    0SOL     H2    2  -0.041758   0.018522   0.021818
-    0SOL     H3    3  -0.191321   0.032892   0.040348
-    1SOL     O4    4   0.105376  -0.075732  -0.031455
-    1SOL     H5    5   0.169809  -0.113467   0.028434
-    1SOL     H6    6   0.154538  -0.058284  -0.111711
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033186   0.137369  -0.021196
-    0SOL     H2    2  -0.038797   0.041833  -0.019262
-    0SOL     H3    3  -0.091851   0.166275   0.048698
-    1SOL     O4    4   0.041138  -0.130300   0.015196
-    1SOL     H5    5   0.006212  -0.213056  -0.017878
-    1SOL     H6    6  -0.011400  -0.111447   0.092956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006070  -0.125835   0.066282
-    0SOL     H2    2  -0.022236  -0.129364  -0.025089
-    0SOL     H3    3   0.101460  -0.119402   0.061623
-    1SOL     O4    4  -0.015132   0.124579  -0.057399
-    1SOL     H5    5  -0.006637   0.182653  -0.133014
-    1SOL     H6    6   0.071840   0.086014  -0.046867
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054040  -0.059107  -0.112295
-    0SOL     H2    2  -0.010904  -0.144114  -0.120980
-    0SOL     H3    3  -0.147128  -0.080090  -0.104770
-    1SOL     O4    4   0.057682   0.071185   0.113567
-    1SOL     H5    5   0.059870  -0.002700   0.174383
-    1SOL     H6    6   0.034163   0.032253   0.029344
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113393  -0.056428   0.066436
-    0SOL     H2    2   0.183777  -0.005252   0.106303
-    0SOL     H3    3   0.057887   0.008580   0.023360
-    1SOL     O4    4  -0.110372   0.055380  -0.064911
-    1SOL     H5    5  -0.088266  -0.023280  -0.114774
-    1SOL     H6    6  -0.200318   0.040740  -0.035624
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134958  -0.055594  -0.007324
-    0SOL     H2    2  -0.046764  -0.021903   0.008456
-    0SOL     H3    3  -0.177724   0.012498  -0.059256
-    1SOL     O4    4   0.127833   0.046980   0.010434
-    1SOL     H5    5   0.171848   0.109667   0.067840
-    1SOL     H6    6   0.184994   0.040239  -0.066048
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031043  -0.000940  -0.136174
-    0SOL     H2    2   0.039338   0.088117  -0.170269
-    0SOL     H3    3  -0.048773  -0.034821  -0.176719
-    1SOL     O4    4  -0.026048  -0.005681   0.146526
-    1SOL     H5    5  -0.090317   0.062805   0.128049
-    1SOL     H6    6   0.022193  -0.016081   0.064508
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109183  -0.048838   0.085223
-    0SOL     H2    2   0.165180  -0.092014   0.020706
-    0SOL     H3    3   0.043707  -0.002502   0.032990
-    1SOL     O4    4  -0.102488   0.052134  -0.077339
-    1SOL     H5    5  -0.166662   0.073273  -0.145141
-    1SOL     H6    6  -0.141498  -0.020894  -0.029304
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.018950  -0.034485  -0.143392
-    0SOL     H2    2  -0.057813  -0.120313  -0.126493
-    0SOL     H3    3  -0.049510   0.020345  -0.071128
-    1SOL     O4    4   0.015814   0.035348   0.141228
-    1SOL     H5    5   0.061516  -0.008482   0.069446
-    1SOL     H6    6   0.080835   0.095122   0.178129
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125990  -0.028359  -0.075079
-    0SOL     H2    2   0.046729  -0.001874  -0.028403
-    0SOL     H3    3   0.101914  -0.024052  -0.167622
-    1SOL     O4    4  -0.114833   0.029924   0.074370
-    1SOL     H5    5  -0.166391  -0.045170   0.044961
-    1SOL     H6    6  -0.144406   0.045706   0.164028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016236  -0.046706   0.140326
-    0SOL     H2    2   0.053420  -0.016415   0.057488
-    0SOL     H3    3   0.080658  -0.108843   0.174253
-    1SOL     O4    4  -0.017026   0.052654  -0.135813
-    1SOL     H5    5  -0.109731   0.053135  -0.111983
-    1SOL     H6    6  -0.007504  -0.023025  -0.193642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.005826   0.108755  -0.109760
-    0SOL     H2    2   0.086144   0.143533  -0.071005
-    0SOL     H3    3  -0.020784   0.038310  -0.050669
-    1SOL     O4    4  -0.009933  -0.099839   0.100596
-    1SOL     H5    5  -0.015059  -0.185365   0.057919
-    1SOL     H6    6   0.007884  -0.119897   0.192479
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029015  -0.141852   0.000091
-    0SOL     H2    2   0.089946  -0.169879  -0.068204
-    0SOL     H3    3  -0.011554  -0.222927   0.030803
-    1SOL     O4    4  -0.025529   0.151801   0.004092
-    1SOL     H5    5  -0.046444   0.060906   0.025610
-    1SOL     H6    6  -0.096248   0.179561  -0.054137
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.031349  -0.061559  -0.130885
-    0SOL     H2    2   0.060898  -0.046863  -0.151785
-    0SOL     H3    3  -0.045204  -0.154772  -0.147668
-    1SOL     O4    4   0.020538   0.065033   0.133056
-    1SOL     H5    5   0.068581   0.126392   0.077474
-    1SOL     H6    6   0.086563   0.030142   0.192936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102487   0.103800  -0.023715
-    0SOL     H2    2   0.171200   0.119620   0.041019
-    0SOL     H3    3   0.147964   0.063324  -0.097580
-    1SOL     O4    4  -0.106364  -0.108029   0.025568
-    1SOL     H5    5  -0.193054  -0.082139  -0.005685
-    1SOL     H6    6  -0.057081  -0.026103   0.030236
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046038  -0.087858   0.107436
-    0SOL     H2    2   0.090883  -0.161097   0.149712
-    0SOL     H3    3  -0.013561  -0.054325   0.174413
-    1SOL     O4    4  -0.049297   0.094120  -0.116520
-    1SOL     H5    5   0.044902   0.109236  -0.108757
-    1SOL     H6    6  -0.063608   0.009533  -0.074063
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042505  -0.044083  -0.143124
-    0SOL     H2    2   0.008635  -0.007254  -0.061523
-    0SOL     H3    3   0.039589   0.028632  -0.205304
-    1SOL     O4    4  -0.035294   0.033173   0.144087
-    1SOL     H5    5  -0.125036   0.007269   0.123164
-    1SOL     H6    6  -0.033947   0.127950   0.130757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126005  -0.074693  -0.051402
-    0SOL     H2    2   0.086521   0.009256  -0.027826
-    0SOL     H3    3   0.167141  -0.058848  -0.136367
-    1SOL     O4    4  -0.123729   0.072260   0.049647
-    1SOL     H5    5  -0.101372  -0.013851   0.084965
-    1SOL     H6    6  -0.191373   0.105561   0.108619
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078480  -0.107945   0.066394
-    0SOL     H2    2  -0.108630  -0.195223   0.091613
-    0SOL     H3    3  -0.068521  -0.061116   0.149281
-    1SOL     O4    4   0.084908   0.107358  -0.073316
-    1SOL     H5    5   0.063523   0.200341  -0.081015
-    1SOL     H6    6   0.003053   0.066111  -0.045734
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130330  -0.011719   0.076617
-    0SOL     H2    2  -0.104837   0.067462   0.123976
-    0SOL     H3    3  -0.210835   0.012548   0.030875
-    1SOL     O4    4   0.139860   0.006697  -0.079110
-    1SOL     H5    5   0.108082   0.005640   0.011175
-    1SOL     H6    6   0.060438   0.005444  -0.132523
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137742   0.056043  -0.018915
-    0SOL     H2    2  -0.218906   0.041178   0.029601
-    0SOL     H3    3  -0.160925   0.121210  -0.085082
-    1SOL     O4    4   0.143561  -0.063011   0.024913
-    1SOL     H5    5   0.208104   0.001717  -0.003493
-    1SOL     H6    6   0.071137  -0.053425  -0.036936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015228   0.130605   0.076260
-    0SOL     H2    2  -0.079501   0.133103   0.062756
-    0SOL     H3    3   0.031902   0.198239   0.141910
-    1SOL     O4    4  -0.012754  -0.137563  -0.072994
-    1SOL     H5    5  -0.027482  -0.044941  -0.092140
-    1SOL     H6    6   0.026812  -0.172573  -0.152813
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009392  -0.141264   0.072044
-    0SOL     H2    2  -0.063550  -0.161222   0.130725
-    0SOL     H3    3  -0.028553  -0.084351   0.005086
-    1SOL     O4    4   0.000569   0.133117  -0.069863
-    1SOL     H5    5   0.012907   0.189201  -0.146444
-    1SOL     H6    6  -0.071371   0.173856  -0.021621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035851   0.109163  -0.105138
-    0SOL     H2    2  -0.034512   0.025355  -0.151363
-    0SOL     H3    3  -0.089565   0.166101  -0.160231
-    1SOL     O4    4   0.037962  -0.110393   0.104359
-    1SOL     H5    5   0.075368  -0.145521   0.185163
-    1SOL     H6    6   0.007674  -0.022739   0.128057
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041302   0.161007   0.014780
-    0SOL     H2    2  -0.046720   0.090260  -0.049467
-    0SOL     H3    3   0.004071   0.122105   0.089548
-    1SOL     O4    4   0.041767  -0.149024  -0.012257
-    1SOL     H5    5  -0.049514  -0.163717  -0.037041
-    1SOL     H6    6   0.087059  -0.229010  -0.038961
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.163372   0.004820  -0.023666
-    0SOL     H2    2   0.067721   0.007005  -0.020741
-    0SOL     H3    3   0.188579  -0.046128   0.053349
-    1SOL     O4    4  -0.153548  -0.001877   0.021732
-    1SOL     H5    5  -0.215600  -0.074729   0.023841
-    1SOL     H6    6  -0.198297   0.066320  -0.028359
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027718  -0.053691   0.148140
-    0SOL     H2    2  -0.009944  -0.128561   0.101897
-    0SOL     H3    3   0.118664  -0.078765   0.164341
-    1SOL     O4    4  -0.037334   0.060268  -0.147384
-    1SOL     H5    5   0.019426   0.094717  -0.078435
-    1SOL     H6    6   0.020412   0.006098  -0.201173
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075040   0.002449   0.136815
-    0SOL     H2    2  -0.090822  -0.077175   0.187543
-    0SOL     H3    3  -0.062598   0.070790   0.202671
-    1SOL     O4    4   0.079864   0.003299  -0.143638
-    1SOL     H5    5   0.070034  -0.073304  -0.200187
-    1SOL     H6    6   0.010523  -0.006037  -0.078316
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000260  -0.145141   0.081112
-    0SOL     H2    2   0.020158  -0.131276   0.173709
-    0SOL     H3    3  -0.009811  -0.056960   0.045265
-    1SOL     O4    4  -0.005111   0.136692  -0.080020
-    1SOL     H5    5   0.076588   0.100962  -0.114820
-    1SOL     H6    6  -0.017614   0.218778  -0.127641
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015243   0.015959  -0.166449
-    0SOL     H2    2   0.078454   0.087335  -0.157956
-    0SOL     H3    3   0.031702  -0.039845  -0.090441
-    1SOL     O4    4  -0.017120  -0.020207   0.157206
-    1SOL     H5    5  -0.031394  -0.043369   0.248978
-    1SOL     H6    6  -0.048479   0.069947   0.150052
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097577   0.101971  -0.074536
-    0SOL     H2    2  -0.190845   0.088166  -0.091053
-    0SOL     H3    3  -0.060349   0.120109  -0.160834
-    1SOL     O4    4   0.104017  -0.104791   0.075697
-    1SOL     H5    5   0.124991  -0.094100   0.168477
-    1SOL     H6    6   0.018132  -0.063749   0.065624
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104354  -0.115630   0.069936
-    0SOL     H2    2   0.015972  -0.137973   0.040751
-    0SOL     H3    3   0.099583  -0.022576   0.091856
-    1SOL     O4    4  -0.096180   0.107296  -0.070279
-    1SOL     H5    5  -0.188341   0.124335  -0.089730
-    1SOL     H6    6  -0.064016   0.189275  -0.032766
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059113   0.128441  -0.092047
-    0SOL     H2    2   0.009905   0.164934  -0.165594
-    0SOL     H3    3   0.010344   0.049933  -0.067139
-    1SOL     O4    4  -0.047608  -0.123274   0.095361
-    1SOL     H5    5  -0.075720  -0.180360   0.023853
-    1SOL     H6    6  -0.124408  -0.116234   0.152058
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070273   0.142109   0.036535
-    0SOL     H2    2   0.009394   0.193841   0.024730
-    0SOL     H3    3  -0.118829   0.188105   0.105011
-    1SOL     O4    4   0.068150  -0.153212  -0.036683
-    1SOL     H5    5   0.111291  -0.072604  -0.008337
-    1SOL     H6    6   0.034167  -0.132879  -0.123827
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.143570  -0.043988   0.080504
-    0SOL     H2    2  -0.048850  -0.048495   0.093546
-    0SOL     H3    3  -0.180677  -0.072741   0.163923
-    1SOL     O4    4   0.139977   0.050262  -0.080696
-    1SOL     H5    5   0.067334   0.002311  -0.120524
-    1SOL     H6    6   0.216494   0.025270  -0.132492
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032529  -0.171805  -0.004751
-    0SOL     H2    2   0.022991  -0.076606  -0.001841
-    0SOL     H3    3   0.098756  -0.187240  -0.072116
-    1SOL     O4    4  -0.029557   0.165975   0.010803
-    1SOL     H5    5  -0.063306   0.145214  -0.076331
-    1SOL     H6    6  -0.101650   0.211575   0.054225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093445  -0.026998   0.137223
-    0SOL     H2    2  -0.165177  -0.023173   0.200486
-    0SOL     H3    3  -0.037420   0.047211   0.159950
-    1SOL     O4    4   0.099637   0.022811  -0.138771
-    1SOL     H5    5   0.011421   0.037555  -0.104668
-    1SOL     H6    6   0.086804   0.006271  -0.232173
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084166  -0.146055  -0.016463
-    0SOL     H2    2   0.130590  -0.165537  -0.097873
-    0SOL     H3    3   0.152673  -0.117515   0.043990
-    1SOL     O4    4  -0.085662   0.150736   0.015724
-    1SOL     H5    5  -0.073905   0.056135   0.007086
-    1SOL     H6    6  -0.172548   0.160668   0.054641
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038896  -0.141429  -0.101843
-    0SOL     H2    2   0.012683  -0.089222  -0.040391
-    0SOL     H3    3  -0.069523  -0.078410  -0.167057
-    1SOL     O4    4   0.041162   0.133884   0.095878
-    1SOL     H5    5  -0.051395   0.153734   0.110071
-    1SOL     H6    6   0.079369   0.133555   0.183641
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069363  -0.163662   0.026229
-    0SOL     H2    2   0.056191  -0.074635   0.058833
-    0SOL     H3    3  -0.015774  -0.206040   0.037095
-    1SOL     O4    4  -0.060340   0.165794  -0.025955
-    1SOL     H5    5  -0.048248   0.073044  -0.046295
-    1SOL     H6    6  -0.151784   0.183482  -0.048032
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016693  -0.124171  -0.125112
-    0SOL     H2    2  -0.070282  -0.056823  -0.083222
-    0SOL     H3    3  -0.073426  -0.201181  -0.128717
-    1SOL     O4    4   0.017510   0.120330   0.121578
-    1SOL     H5    5   0.010744   0.215715   0.125860
-    1SOL     H6    6   0.108111   0.101573   0.146113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109309   0.132068  -0.008949
-    0SOL     H2    2   0.166678   0.174635   0.054764
-    0SOL     H3    3   0.067612   0.204392  -0.055778
-    1SOL     O4    4  -0.115385  -0.136562   0.009806
-    1SOL     H5    5  -0.029130  -0.106010   0.037894
-    1SOL     H6    6  -0.096904  -0.201907  -0.057654
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029802  -0.158172   0.060084
-    0SOL     H2    2  -0.032455  -0.253801   0.056851
-    0SOL     H3    3  -0.098609  -0.134342   0.122212
-    1SOL     O4    4   0.039243   0.165590  -0.064571
-    1SOL     H5    5   0.030816   0.077993  -0.026912
-    1SOL     H6    6  -0.050526   0.191520  -0.085342
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018536   0.011987   0.175470
-    0SOL     H2    2   0.025407  -0.078733   0.145722
-    0SOL     H3    3   0.093628   0.023930   0.233615
-    1SOL     O4    4  -0.028741  -0.007174  -0.174738
-    1SOL     H5    5  -0.005029  -0.057320  -0.252747
-    1SOL     H6    6   0.054727   0.024751  -0.140441
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.146986  -0.020268   0.111593
-    0SOL     H2    2   0.139311   0.027115   0.028778
-    0SOL     H3    3   0.060545  -0.012265   0.151920
-    1SOL     O4    4  -0.141651   0.021343  -0.104520
-    1SOL     H5    5  -0.091566   0.019944  -0.186079
-    1SOL     H6    6  -0.195992  -0.057362  -0.108375
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076029   0.018397  -0.163347
-    0SOL     H2    2  -0.027097   0.100116  -0.153867
-    0SOL     H3    3  -0.011811  -0.044308  -0.196611
-    1SOL     O4    4   0.077135  -0.019467   0.163828
-    1SOL     H5    5   0.009997  -0.046300   0.101100
-    1SOL     H6    6   0.027921   0.012693   0.239366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068642   0.173427  -0.011752
-    0SOL     H2    2  -0.108109   0.132784   0.065403
-    0SOL     H3    3  -0.094068   0.116605  -0.084464
-    1SOL     O4    4   0.074937  -0.164487   0.006164
-    1SOL     H5    5   0.063348  -0.259116   0.014729
-    1SOL     H6    6   0.040012  -0.128552   0.087719
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112795  -0.041268  -0.147873
-    0SOL     H2    2  -0.027742  -0.060280  -0.187456
-    0SOL     H3    3  -0.101699   0.044710  -0.107291
-    1SOL     O4    4   0.112597   0.041822   0.146415
-    1SOL     H5    5   0.075300   0.018830   0.231519
-    1SOL     H6    6   0.064947  -0.012698   0.083810
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028682   0.160896  -0.096813
-    0SOL     H2    2  -0.053591   0.153257  -0.004707
-    0SOL     H3    3  -0.087274   0.227891  -0.132042
-    1SOL     O4    4   0.027383  -0.167499   0.096412
-    1SOL     H5    5   0.087930  -0.113011   0.146685
-    1SOL     H6    6   0.056279  -0.158028   0.005651
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099111   0.152269  -0.039860
-    0SOL     H2    2  -0.102037   0.158229  -0.135349
-    0SOL     H3    3  -0.090870   0.242967  -0.010394
-    1SOL     O4    4   0.099895  -0.164172   0.040070
-    1SOL     H5    5   0.162136  -0.125497   0.101654
-    1SOL     H6    6   0.024935  -0.104656   0.041153
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092717   0.153330   0.073154
-    0SOL     H2    2   0.171215   0.099685   0.084229
-    0SOL     H3    3   0.113423   0.211322  -0.000130
-    1SOL     O4    4  -0.098525  -0.147551  -0.073196
-    1SOL     H5    5  -0.138378  -0.231376  -0.096592
-    1SOL     H6    6  -0.055991  -0.163865   0.010988
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.147717  -0.041546  -0.136482
-    0SOL     H2    2  -0.168119  -0.134551  -0.146286
-    0SOL     H3    3  -0.057875  -0.040033  -0.103490
-    1SOL     O4    4   0.138135   0.044582   0.134991
-    1SOL     H5    5   0.183855   0.078532   0.058053
-    1SOL     H6    6   0.195132   0.066920   0.208575
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.192376  -0.073442   0.000889
-    0SOL     H2    2   0.241981  -0.032416  -0.069952
-    0SOL     H3    3   0.166294  -0.000596   0.057241
-    1SOL     O4    4  -0.195207   0.065249  -0.005829
-    1SOL     H5    5  -0.189970   0.157313   0.019842
-    1SOL     H6    6  -0.170050   0.016921   0.072872
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.143657  -0.006515  -0.163991
-    0SOL     H2    2  -0.090587  -0.032697  -0.088755
-    0SOL     H3    3  -0.098990   0.070454  -0.199246
-    1SOL     O4    4   0.141954   0.001921   0.166795
-    1SOL     H5    5   0.140807  -0.040941   0.081215
-    1SOL     H6    6   0.068701   0.063462   0.163796
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065936   0.137220  -0.146458
-    0SOL     H2    2  -0.131028   0.207353  -0.143885
-    0SOL     H3    3  -0.117160   0.056666  -0.139422
-    1SOL     O4    4   0.077078  -0.135916   0.140987
-    1SOL     H5    5   0.003745  -0.078536   0.163172
-    1SOL     H6    6   0.068879  -0.209761   0.201337
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.187884  -0.093495   0.068262
-    0SOL     H2    2  -0.241621  -0.060833  -0.003903
-    0SOL     H3    3  -0.169910  -0.016152   0.121716
-    1SOL     O4    4   0.185078   0.089919  -0.071273
-    1SOL     H5    5   0.273991   0.122429  -0.057134
-    1SOL     H6    6   0.177978   0.013691  -0.013817
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.201187  -0.073271   0.072281
-    0SOL     H2    2   0.126101  -0.111942   0.117324
-    0SOL     H3    3   0.186773   0.021164   0.078329
-    1SOL     O4    4  -0.202296   0.073685  -0.073370
-    1SOL     H5    5  -0.159089   0.005951  -0.021335
-    1SOL     H6    6  -0.147880   0.082169  -0.151659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123045   0.125388  -0.146673
-    0SOL     H2    2   0.039746   0.156957  -0.181701
-    0SOL     H3    3   0.113956   0.133941  -0.051770
-    1SOL     O4    4  -0.117588  -0.128519   0.150071
-    1SOL     H5    5  -0.053812  -0.164193   0.088246
-    1SOL     H6    6  -0.179904  -0.080712   0.095357
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.169394   0.078735   0.136256
-    0SOL     H2    2  -0.203810  -0.002064   0.098186
-    0SOL     H3    3  -0.109973   0.049326   0.205296
-    1SOL     O4    4   0.167834  -0.078220  -0.136490
-    1SOL     H5    5   0.188676   0.000031  -0.085452
-    1SOL     H6    6   0.144097  -0.044829  -0.223000
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.149937  -0.170794  -0.056007
-    0SOL     H2    2  -0.153613  -0.141399   0.035013
-    0SOL     H3    3  -0.172356  -0.093109  -0.107239
-    1SOL     O4    4   0.146860   0.160096   0.054866
-    1SOL     H5    5   0.151621   0.222481  -0.017575
-    1SOL     H6    6   0.217211   0.186671   0.114086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.175251   0.113603  -0.101339
-    0SOL     H2    2  -0.150892   0.164883  -0.024272
-    0SOL     H3    3  -0.255747   0.154607  -0.132986
-    1SOL     O4    4   0.175530  -0.113081   0.097847
-    1SOL     H5    5   0.220086  -0.146461   0.175711
-    1SOL     H6    6   0.180737  -0.184769   0.034632
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046557  -0.183848  -0.142350
-    0SOL     H2    2   0.137320  -0.153845  -0.137421
-    0SOL     H3    3   0.049412  -0.274214  -0.110916
-    1SOL     O4    4  -0.047374   0.192319   0.138875
-    1SOL     H5    5  -0.107377   0.158966   0.072170
-    1SOL     H6    6  -0.076031   0.150433   0.220033
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062217  -0.233350   0.012685
-    0SOL     H2    2   0.010803  -0.172719   0.000262
-    0SOL     H3    3  -0.021504  -0.313567   0.045398
-    1SOL     O4    4   0.058924   0.230225  -0.012190
-    1SOL     H5    5   0.049219   0.259820  -0.102701
-    1SOL     H6    6   0.007191   0.292357   0.039052
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.205531   0.137257   0.008920
-    0SOL     H2    2   0.187959   0.072830  -0.059656
-    0SOL     H3    3   0.195802   0.088501   0.090716
-    1SOL     O4    4  -0.202765  -0.127993  -0.002522
-    1SOL     H5    5  -0.136664  -0.149600  -0.068296
-    1SOL     H6    6  -0.286334  -0.144894  -0.046028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.246568   0.054781  -0.016383
-    0SOL     H2    2  -0.152826   0.035694  -0.013132
-    0SOL     H3    3  -0.273776   0.026626  -0.103729
-    1SOL     O4    4   0.246498  -0.053276   0.026903
-    1SOL     H5    5   0.263792   0.009074  -0.043636
-    1SOL     H6    6   0.167307  -0.099406  -0.000721
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015162  -0.266162  -0.024965
-    0SOL     H2    2   0.037666  -0.175818  -0.002743
-    0SOL     H3    3  -0.036416  -0.297062   0.049515
-    1SOL     O4    4  -0.015177   0.262572   0.026417
-    1SOL     H5    5   0.073259   0.266216  -0.010026
-    1SOL     H6    6  -0.072753   0.265183  -0.050005
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095968   0.214877  -0.135894
-    0SOL     H2    2  -0.190841   0.202231  -0.137082
-    0SOL     H3    3  -0.063198   0.145327  -0.078875
-    1SOL     O4    4   0.101439  -0.206608   0.127577
-    1SOL     H5    5   0.147202  -0.281457   0.165861
-    1SOL     H6    6   0.021066  -0.198772   0.178970
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097046  -0.117102   0.247983
-    0SOL     H2    2   0.084403  -0.063654   0.169588
-    0SOL     H3    3   0.099258  -0.207132   0.215549
-    1SOL     O4    4  -0.092805   0.125005  -0.239749
-    1SOL     H5    5  -0.118055   0.054863  -0.179709
-    1SOL     H6    6  -0.126911   0.097254  -0.324773
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.282716   0.011302   0.050251
-    0SOL     H2    2   0.346344   0.040640  -0.014964
-    0SOL     H3    3   0.231110   0.089397   0.070257
-    1SOL     O4    4  -0.280663  -0.012040  -0.044648
-    1SOL     H5    5  -0.268080  -0.038445  -0.135790
-    1SOL     H6    6  -0.339259  -0.078430  -0.008300
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065046  -0.225675  -0.157633
-    0SOL     H2    2   0.088603  -0.196795  -0.245800
-    0SOL     H3    3   0.042083  -0.318024  -0.167963
-    1SOL     O4    4  -0.067292   0.232390   0.167372
-    1SOL     H5    5   0.021714   0.224034   0.133161
-    1SOL     H6    6  -0.119369   0.172734   0.113601
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.275199  -0.032951   0.095254
-    0SOL     H2    2  -0.312316   0.051701   0.070378
-    0SOL     H3    3  -0.317627  -0.054266   0.178368
-    1SOL     O4    4   0.282000   0.030527  -0.104239
-    1SOL     H5    5   0.194536  -0.003750  -0.085872
-    1SOL     H6    6   0.320661   0.045157  -0.017904
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022873  -0.260485   0.157876
-    0SOL     H2    2  -0.047197  -0.195766   0.149881
-    0SOL     H3    3   0.005418  -0.323511   0.087980
-    1SOL     O4    4  -0.024528   0.262470  -0.153357
-    1SOL     H5    5   0.004245   0.171335  -0.148001
-    1SOL     H6    6   0.055365   0.311808  -0.171936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.194399   0.199105   0.141108
-    0SOL     H2    2  -0.270429   0.147181   0.167293
-    0SOL     H3    3  -0.226376   0.254102   0.069588
-    1SOL     O4    4   0.200336  -0.199496  -0.144690
-    1SOL     H5    5   0.264143  -0.157342  -0.087123
-    1SOL     H6    6   0.135049  -0.236399  -0.085207
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006523   0.313551   0.097675
-    0SOL     H2    2   0.013247   0.311744   0.002208
-    0SOL     H3    3  -0.087583   0.315468   0.115073
-    1SOL     O4    4   0.003037  -0.308897  -0.091764
-    1SOL     H5    5  -0.076736  -0.331435  -0.043904
-    1SOL     H6    6   0.002144  -0.366360  -0.168311
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102954  -0.115220   0.304930
-    0SOL     H2    2   0.051745  -0.055691   0.359667
-    0SOL     H3    3   0.192364  -0.107516   0.338231
-    1SOL     O4    4  -0.103684   0.105789  -0.312339
-    1SOL     H5    5  -0.065963   0.148079  -0.235196
-    1SOL     H6    6  -0.170704   0.166935  -0.342865
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102056   0.156698  -0.341002
-    0SOL     H2    2   0.032050   0.184741  -0.399953
-    0SOL     H3    3   0.182486   0.187006  -0.383130
-    1SOL     O4    4  -0.106402  -0.165707   0.347674
-    1SOL     H5    5  -0.132656  -0.074140   0.338264
-    1SOL     H6    6  -0.010759  -0.163708   0.344398
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.260812  -0.200924  -0.266062
-    0SOL     H2    2  -0.266019  -0.105429  -0.262086
-    0SOL     H3    3  -0.272242  -0.229379  -0.175387
-    1SOL     O4    4   0.261887   0.197648   0.267530
-    1SOL     H5    5   0.220866   0.133075   0.209997
-    1SOL     H6    6   0.301324   0.261298   0.207900
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.312680  -0.305474  -0.185666
-    0SOL     H2    2  -0.257705  -0.245990  -0.134659
-    0SOL     H3    3  -0.357771  -0.248773  -0.248229
-    1SOL     O4    4   0.307679   0.300726   0.189720
-    1SOL     H5    5   0.394852   0.333936   0.168266
-    1SOL     H6    6   0.305922   0.212385   0.152908
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.383716  -0.453614  -0.039697
-    0SOL     H2    2   0.465528  -0.485515  -0.001599
-    0SOL     H3    3   0.389046  -0.358378  -0.031693
-    1SOL     O4    4  -0.384661   0.451169   0.032372
-    1SOL     H5    5  -0.365968   0.415474   0.119198
-    1SOL     H6    6  -0.480176   0.456092   0.028503
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052301  -0.107071  -0.012272
-    0SOL     H2    2   0.015200  -0.039575  -0.019372
-    0SOL     H3    3  -0.018658  -0.180199  -0.064067
-    1SOL     O4    4   0.052065   0.103761   0.016153
-    1SOL     H5    5   0.023623   0.153289  -0.060660
-    1SOL     H6    6  -0.016173   0.119425   0.081426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088200   0.009713   0.085958
-    0SOL     H2    2   0.049760   0.055778   0.160541
-    0SOL     H3    3   0.113193  -0.075835   0.120878
-    1SOL     O4    4  -0.090147  -0.005643  -0.098212
-    1SOL     H5    5  -0.009980   0.025825  -0.056436
-    1SOL     H6    6  -0.125715  -0.069744  -0.036662
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.093362   0.022884   0.092193
-    0SOL     H2    2   0.053921   0.017693   0.179255
-    0SOL     H3    3   0.019645   0.013537   0.031855
-    1SOL     O4    4  -0.084361  -0.026618  -0.089528
-    1SOL     H5    5  -0.077687  -0.026941  -0.185014
-    1SOL     H6    6  -0.131928   0.053887  -0.069067
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089393  -0.082504   0.028359
-    0SOL     H2    2  -0.037731  -0.162281   0.017005
-    0SOL     H3    3  -0.139367  -0.097494   0.108610
-    1SOL     O4    4   0.092757   0.086838  -0.038227
-    1SOL     H5    5   0.098594   0.169944   0.008908
-    1SOL     H6    6   0.025992   0.037099   0.009005
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089115   0.041366  -0.096160
-    0SOL     H2    2  -0.015347   0.032522  -0.035808
-    0SOL     H3    3  -0.072235  -0.023623  -0.164379
-    1SOL     O4    4   0.082108  -0.035526   0.091199
-    1SOL     H5    5   0.061449  -0.115429   0.139686
-    1SOL     H6    6   0.142135   0.012375   0.148335
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083781   0.039424   0.100553
-    0SOL     H2    2  -0.052512   0.051600   0.190199
-    0SOL     H3    3  -0.005548   0.049329   0.046296
-    1SOL     O4    4   0.082042  -0.037146  -0.098226
-    1SOL     H5    5   0.003489  -0.085237  -0.072167
-    1SOL     H6    6   0.085980  -0.047341  -0.193320
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.081988  -0.014074   0.099612
-    0SOL     H2    2   0.164651   0.030821   0.117320
-    0SOL     H3    3   0.041167  -0.024004   0.185620
-    1SOL     O4    4  -0.084324   0.008168  -0.111479
-    1SOL     H5    5  -0.133408   0.088889  -0.096079
-    1SOL     H6    6  -0.038165  -0.007923  -0.029182
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067407  -0.099179  -0.078265
-    0SOL     H2    2  -0.043331  -0.120366   0.011922
-    0SOL     H3    3  -0.026433  -0.014252  -0.094723
-    1SOL     O4    4   0.060776   0.089307   0.074144
-    1SOL     H5    5   0.071115   0.155246   0.142755
-    1SOL     H6    6   0.097890   0.130071  -0.004107
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076872   0.080382  -0.089757
-    0SOL     H2    2   0.021148   0.054537  -0.016345
-    0SOL     H3    3   0.143576   0.011898  -0.094526
-    1SOL     O4    4  -0.077231  -0.079064   0.080198
-    1SOL     H5    5  -0.016797  -0.066711   0.153393
-    1SOL     H6    6  -0.144514  -0.012211   0.093084
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019863   0.061487  -0.118360
-    0SOL     H2    2  -0.059988   0.024667  -0.156181
-    0SOL     H3    3   0.086345   0.049325  -0.186143
-    1SOL     O4    4  -0.015376  -0.060867   0.129079
-    1SOL     H5    5  -0.110889  -0.054977   0.126870
-    1SOL     H6    6   0.012627  -0.028939   0.043296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016085  -0.057510  -0.126736
-    0SOL     H2    2   0.045389  -0.147463  -0.112177
-    0SOL     H3    3   0.096661  -0.005845  -0.127491
-    1SOL     O4    4  -0.016338   0.058130   0.128703
-    1SOL     H5    5  -0.055867   0.020132   0.050243
-    1SOL     H6    6  -0.078688   0.125018   0.157000
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084376   0.081030  -0.067739
-    0SOL     H2    2  -0.126936   0.164123  -0.046609
-    0SOL     H3    3  -0.086597   0.076556  -0.163329
-    1SOL     O4    4   0.090416  -0.086457   0.077860
-    1SOL     H5    5   0.038555  -0.009964   0.052926
-    1SOL     H6    6   0.084440  -0.145119   0.002459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103768  -0.061122   0.077431
-    0SOL     H2    2  -0.061500   0.009425   0.028452
-    0SOL     H3    3  -0.181687  -0.020583   0.115478
-    1SOL     O4    4   0.101547   0.055869  -0.072102
-    1SOL     H5    5   0.143734  -0.024945  -0.101284
-    1SOL     H6    6   0.135942   0.123375  -0.130602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065694  -0.064910   0.115766
-    0SOL     H2    2  -0.015201  -0.021186   0.089186
-    0SOL     H3    3   0.124378  -0.054398   0.040879
-    1SOL     O4    4  -0.063817   0.059554  -0.103812
-    1SOL     H5    5  -0.042828   0.018591  -0.187740
-    1SOL     H6    6  -0.102572   0.143871  -0.127286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097058  -0.056357   0.092411
-    0SOL     H2    2  -0.038825  -0.044968   0.017301
-    0SOL     H3    3  -0.164530  -0.116817   0.061516
-    1SOL     O4    4   0.094324   0.056243  -0.083465
-    1SOL     H5    5   0.102869   0.052933  -0.178746
-    1SOL     H6    6   0.157627   0.122573  -0.055983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056357   0.073778  -0.103479
-    0SOL     H2    2   0.109048   0.097600  -0.179757
-    0SOL     H3    3   0.095811   0.122241  -0.030974
-    1SOL     O4    4  -0.064945  -0.072237   0.106580
-    1SOL     H5    5  -0.031385  -0.078321   0.017143
-    1SOL     H6    6  -0.033285  -0.151696   0.149549
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101631   0.026221  -0.097891
-    0SOL     H2    2  -0.056966   0.020043  -0.182325
-    0SOL     H3    3  -0.092735   0.118138  -0.072703
-    1SOL     O4    4   0.095850  -0.028168   0.105440
-    1SOL     H5    5   0.064607  -0.094492   0.043899
-    1SOL     H6    6   0.187233  -0.013771   0.080859
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086163   0.101567  -0.062233
-    0SOL     H2    2  -0.064185   0.049602   0.015090
-    0SOL     H3    3  -0.069543   0.192065  -0.035846
-    1SOL     O4    4   0.081067  -0.108142   0.052488
-    1SOL     H5    5   0.125865  -0.026246   0.031309
-    1SOL     H6    6   0.088993  -0.115940   0.147560
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-    6
-    0SOL     O1    1   0.114609  -0.011883   0.091144
-    0SOL     H2    2   0.149749  -0.095462   0.121838
-    0SOL     H3    3   0.051010  -0.035886   0.023755
-    1SOL     O4    4  -0.108138   0.017966  -0.085108
-    1SOL     H5    5  -0.170179  -0.049688  -0.112242
-    1SOL     H6    6  -0.135738   0.096310  -0.132677
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034592   0.077649  -0.122280
-    0SOL     H2    2   0.017888   0.005082  -0.062136
-    0SOL     H3    3   0.121419   0.059504  -0.158253
-    1SOL     O4    4  -0.043639  -0.068902   0.116686
-    1SOL     H5    5  -0.024050  -0.162016   0.127100
-    1SOL     H6    6   0.018202  -0.024714   0.174870
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123749   0.058175  -0.050455
-    0SOL     H2    2   0.102739   0.047908  -0.143275
-    0SOL     H3    3   0.082136   0.140658  -0.025411
-    1SOL     O4    4  -0.121275  -0.058465   0.048789
-    1SOL     H5    5  -0.184096  -0.117520   0.090362
-    1SOL     H6    6  -0.042435  -0.065548   0.102608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013472  -0.150171   0.026975
-    0SOL     H2    2   0.000693  -0.059058   0.053382
-    0SOL     H3    3   0.024433  -0.146308  -0.068037
-    1SOL     O4    4  -0.010274   0.141296  -0.028264
-    1SOL     H5    5  -0.096777   0.182219  -0.030470
-    1SOL     H6    6   0.020489   0.155019   0.061333
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123201   0.072524   0.024973
-    0SOL     H2    2   0.108367   0.167079   0.026241
-    0SOL     H3    3   0.187714   0.059282  -0.044490
-    1SOL     O4    4  -0.133047  -0.080045  -0.021043
-    1SOL     H5    5  -0.072618  -0.063514  -0.093413
-    1SOL     H6    6  -0.087681  -0.046442   0.056255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127217   0.031061  -0.061936
-    0SOL     H2    2  -0.221864   0.025741  -0.075203
-    0SOL     H3    3  -0.090154   0.022531  -0.149776
-    1SOL     O4    4   0.133710  -0.033903   0.071262
-    1SOL     H5    5   0.148611  -0.007106  -0.019415
-    1SOL     H6    6   0.051867   0.009200   0.095883
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052266  -0.063354   0.129377
-    0SOL     H2    2  -0.000739  -0.057335   0.208854
-    0SOL     H3    3   0.004372  -0.011638   0.064616
-    1SOL     O4    4  -0.045603   0.056427  -0.124564
-    1SOL     H5    5   0.000280   0.031628  -0.204826
-    1SOL     H6    6  -0.090451   0.138017  -0.146789
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118975  -0.083855   0.018611
-    0SOL     H2    2   0.201886  -0.131049   0.026403
-    0SOL     H3    3   0.052404  -0.148061   0.043273
-    1SOL     O4    4  -0.121138   0.096211  -0.019746
-    1SOL     H5    5  -0.034082   0.058683  -0.032980
-    1SOL     H6    6  -0.179894   0.020657  -0.018426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110956  -0.063070  -0.069607
-    0SOL     H2    2  -0.200767  -0.065068  -0.102656
-    0SOL     H3    3  -0.069697  -0.140672  -0.107527
-    1SOL     O4    4   0.117477   0.072224   0.076434
-    1SOL     H5    5   0.147572   0.001197   0.019761
-    1SOL     H6    6   0.022815   0.059479   0.082671
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.064308  -0.135255  -0.010262
-    0SOL     H2    2   0.065306  -0.143499   0.085097
-    0SOL     H3    3   0.156346  -0.141340  -0.035841
-    1SOL     O4    4  -0.076585   0.134289   0.005085
-    1SOL     H5    5  -0.046451   0.220742   0.033015
-    1SOL     H6    6   0.003676   0.083316  -0.005975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002681   0.051780  -0.138996
-    0SOL     H2    2  -0.016280   0.038196  -0.232766
-    0SOL     H3    3   0.043430   0.135468  -0.133309
-    1SOL     O4    4  -0.002032  -0.061230   0.143186
-    1SOL     H5    5   0.059786  -0.035189   0.211470
-    1SOL     H6    6  -0.007343   0.014848   0.085339
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058488   0.034308   0.135924
-    0SOL     H2    2  -0.121923  -0.037307   0.132808
-    0SOL     H3    3  -0.110673   0.113238   0.121463
-    1SOL     O4    4   0.062158  -0.035000  -0.139125
-    1SOL     H5    5   0.040352  -0.004554  -0.051035
-    1SOL     H6    6   0.154679  -0.058999  -0.134005
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035527  -0.147546   0.050802
-    0SOL     H2    2  -0.025398  -0.096714   0.131275
-    0SOL     H3    3  -0.013904  -0.086063  -0.019302
-    1SOL     O4    4   0.035422   0.134930  -0.050050
-    1SOL     H5    5   0.042097   0.180991  -0.133693
-    1SOL     H6    6  -0.003782   0.198825   0.009471
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051512   0.044195  -0.144930
-    0SOL     H2    2  -0.037580   0.130883  -0.106805
-    0SOL     H3    3  -0.010304  -0.016128  -0.083081
-    1SOL     O4    4   0.050052  -0.040397   0.134708
-    1SOL     H5    5  -0.021258  -0.042302   0.198532
-    1SOL     H6    6   0.093239  -0.125266   0.144435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076700   0.036192   0.128283
-    0SOL     H2    2   0.009842  -0.002900   0.140304
-    0SOL     H3    3  -0.134606  -0.016224   0.183617
-    1SOL     O4    4   0.082238  -0.031270  -0.130457
-    1SOL     H5    5   0.008711  -0.051364  -0.072557
-    1SOL     H6    6   0.041400  -0.006805  -0.213500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113247  -0.008841  -0.103839
-    0SOL     H2    2  -0.150801  -0.049298  -0.182039
-    0SOL     H3    3  -0.019103  -0.006363  -0.120955
-    1SOL     O4    4   0.104696   0.012041   0.114586
-    1SOL     H5    5   0.127006  -0.069577   0.069830
-    1SOL     H6    6   0.163001   0.077347   0.075883
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002628   0.136415   0.065056
-    0SOL     H2    2   0.071810   0.195307   0.034925
-    0SOL     H3    3  -0.077326   0.188811   0.060124
-    1SOL     O4    4   0.003466  -0.147046  -0.063904
-    1SOL     H5    5  -0.003251  -0.067395  -0.011245
-    1SOL     H6    6  -0.083996  -0.158738  -0.100998
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.086397  -0.045015  -0.118716
-    0SOL     H2    2   0.174657  -0.067465  -0.148186
-    0SOL     H3    3   0.053428  -0.125299  -0.078345
-    1SOL     O4    4  -0.090504   0.048942   0.124744
-    1SOL     H5    5  -0.008006   0.070541   0.081271
-    1SOL     H6    6  -0.155433   0.049023   0.054412
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124279   0.094578   0.041035
-    0SOL     H2    2   0.101034   0.173847  -0.007322
-    0SOL     H3    3   0.060912   0.029114   0.011687
-    1SOL     O4    4  -0.113326  -0.094132  -0.033671
-    1SOL     H5    5  -0.139905  -0.169730  -0.086025
-    1SOL     H6    6  -0.190860  -0.038046  -0.031418
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.147711  -0.014876  -0.068472
-    0SOL     H2    2  -0.105133   0.061711  -0.106993
-    0SOL     H3    3  -0.111007  -0.020915   0.019725
-    1SOL     O4    4   0.139020   0.007246   0.065058
-    1SOL     H5    5   0.173550   0.043798   0.146507
-    1SOL     H6    6   0.191804   0.047805  -0.003726
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.064018  -0.144796   0.023138
-    0SOL     H2    2   0.117753  -0.134667  -0.055425
-    0SOL     H3    3   0.127205  -0.151652   0.094712
-    1SOL     O4    4  -0.069134   0.146528  -0.029363
-    1SOL     H5    5  -0.029869   0.073467   0.018413
-    1SOL     H6    6  -0.124758   0.190240   0.035116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022839   0.096918  -0.129373
-    0SOL     H2    2   0.036423   0.134598  -0.064330
-    0SOL     H3    3  -0.024422   0.161060  -0.200406
-    1SOL     O4    4   0.020444  -0.102565   0.136468
-    1SOL     H5    5  -0.043529  -0.053116   0.085238
-    1SOL     H6    6   0.065970  -0.156826   0.072083
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109198  -0.017019   0.126491
-    0SOL     H2    2   0.082143  -0.042319   0.214753
-    0SOL     H3    3   0.070141   0.069361   0.113252
-    1SOL     O4    4  -0.113067   0.014613  -0.130601
-    1SOL     H5    5  -0.063920  -0.053265  -0.084345
-    1SOL     H6    6  -0.045877   0.070437  -0.169734
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126912   0.119605   0.011227
-    0SOL     H2    2  -0.062054   0.062593  -0.030070
-    0SOL     H3    3  -0.161726   0.067751   0.083764
-    1SOL     O4    4   0.119405  -0.115304  -0.015437
-    1SOL     H5    5   0.129204  -0.053827   0.057274
-    1SOL     H6    6   0.208966  -0.132688  -0.044402
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.174219  -0.037478  -0.039299
-    0SOL     H2    2   0.234997  -0.111326  -0.043174
-    0SOL     H3    3   0.088881  -0.077483  -0.022586
-    1SOL     O4    4  -0.173721   0.040602   0.031862
-    1SOL     H5    5  -0.148895   0.123935   0.071882
-    1SOL     H6    6  -0.187024  -0.018566   0.105919
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030395   0.176299  -0.045473
-    0SOL     H2    2   0.123004   0.199560  -0.038773
-    0SOL     H3    3   0.014075   0.120593   0.030638
-    1SOL     O4    4  -0.039852  -0.171910   0.043677
-    1SOL     H5    5   0.034730  -0.219378   0.080374
-    1SOL     H6    6  -0.024166  -0.171869  -0.050749
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.160400   0.002402   0.098850
-    0SOL     H2    2  -0.148629  -0.008041   0.004432
-    0SOL     H3    3  -0.082953  -0.038593   0.137370
-    1SOL     O4    4   0.158730   0.005130  -0.098589
-    1SOL     H5    5   0.131829  -0.003733  -0.007156
-    1SOL     H6    6   0.125757  -0.074046  -0.141090
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.157269   0.089011  -0.053458
-    0SOL     H2    2   0.080053   0.067369  -0.105723
-    0SOL     H3    3   0.124637   0.094700   0.036348
-    1SOL     O4    4  -0.151447  -0.089148   0.045379
-    1SOL     H5    5  -0.136950  -0.009236   0.096037
-    1SOL     H6    6  -0.176174  -0.154732   0.110568
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057724  -0.149538   0.098213
-    0SOL     H2    2  -0.051446  -0.084819   0.027968
-    0SOL     H3    3   0.029792  -0.187971   0.103327
-    1SOL     O4    4   0.052665   0.141264  -0.095304
-    1SOL     H5    5   0.065677   0.206553  -0.164082
-    1SOL     H6    6   0.033020   0.192569  -0.016919
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078929  -0.113474   0.118782
-    0SOL     H2    2   0.168762  -0.120880   0.150991
-    0SOL     H3    3   0.075996  -0.171083   0.042396
-    1SOL     O4    4  -0.079552   0.116132  -0.121524
-    1SOL     H5    5  -0.084298   0.064746  -0.040906
-    1SOL     H6    6  -0.149636   0.180762  -0.112949
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043251   0.139496   0.116011
-    0SOL     H2    2   0.052323   0.096927   0.030760
-    0SOL     H3    3   0.089679   0.222646   0.106378
-    1SOL     O4    4  -0.045722  -0.147486  -0.107023
-    1SOL     H5    5  -0.125027  -0.093890  -0.106309
-    1SOL     H6    6   0.015907  -0.098432  -0.161409
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123607  -0.074195   0.120577
-    0SOL     H2    2   0.080349  -0.055173   0.037335
-    0SOL     H3    3   0.197769  -0.129892   0.096906
-    1SOL     O4    4  -0.123790   0.071631  -0.110483
-    1SOL     H5    5  -0.156250   0.160349  -0.095062
-    1SOL     H6    6  -0.118624   0.064192  -0.205774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.141630   0.131130  -0.014212
-    0SOL     H2    2   0.125343   0.123488  -0.108226
-    0SOL     H3    3   0.075320   0.192858   0.016692
-    1SOL     O4    4  -0.141556  -0.133103   0.022437
-    1SOL     H5    5  -0.051694  -0.162594   0.037183
-    1SOL     H6    6  -0.148715  -0.124558  -0.072631
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051750   0.177889  -0.080185
-    0SOL     H2    2   0.028762   0.164735   0.011798
-    0SOL     H3    3   0.024574   0.267699  -0.099108
-    1SOL     O4    4  -0.054022  -0.179546   0.073825
-    1SOL     H5    5  -0.047573  -0.263777   0.118835
-    1SOL     H6    6   0.036714  -0.154957   0.055804
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125583  -0.134564  -0.085870
-    0SOL     H2    2   0.117738  -0.091488  -0.170989
-    0SOL     H3    3   0.217414  -0.122966  -0.061477
-    1SOL     O4    4  -0.132439   0.138942   0.087535
-    1SOL     H5    5  -0.123211   0.101658   0.175211
-    1SOL     H6    6  -0.118751   0.064917   0.028414
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/53/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2  -0.105112   0.030512   0.259099
-    0SOL     H3    3  -0.034369   0.031902   0.125262
-    1SOL     O4    4   0.064284   0.027068  -0.194559
-    1SOL     H5    5   0.073111  -0.035684  -0.122819
-    1SOL     H6    6   0.049413  -0.027058  -0.272094
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-    6
-    0SOL     O1    1  -0.142643  -0.124360  -0.075761
-    0SOL     H2    2  -0.107161  -0.206230  -0.110410
-    0SOL     H3    3  -0.234843  -0.125384  -0.101459
-    1SOL     O4    4   0.145319   0.125651   0.084833
-    1SOL     H5    5   0.094984   0.113970   0.004259
-    1SOL     H6    6   0.202342   0.200407   0.066883
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-    6
-    0SOL     O1    1  -0.011137  -0.181377  -0.094935
-    0SOL     H2    2   0.045443  -0.148436  -0.164763
-    0SOL     H3    3  -0.039408  -0.267536  -0.125591
-    1SOL     O4    4   0.012674   0.179127   0.101351
-    1SOL     H5    5   0.006598   0.259950   0.152274
-    1SOL     H6    6  -0.043336   0.194440   0.025255
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.021467  -0.199056   0.086594
-    0SOL     H2    2   0.074636  -0.182184   0.008808
-    0SOL     H3    3  -0.053724  -0.140537   0.077423
-    1SOL     O4    4  -0.022576   0.191296  -0.076754
-    1SOL     H5    5   0.029236   0.154902  -0.148541
-    1SOL     H6    6  -0.027411   0.284989  -0.095743
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-Generated by ForceBalance from calcs/cluster-02/VLE/580K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.156880  -0.105603  -0.084850
-    0SOL     H2    2  -0.204748  -0.164833  -0.142839
-    0SOL     H3    3  -0.153083  -0.151852  -0.001130
-    1SOL     O4    4   0.165720   0.115067   0.083292
-    1SOL     H5    5   0.149456   0.021737   0.069602
-    1SOL     H6    6   0.078520   0.153650   0.091648
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050280  -0.170668  -0.123951
-    0SOL     H2    2   0.015758  -0.187316  -0.036239
-    0SOL     H3    3   0.116496  -0.238553  -0.136963
-    1SOL     O4    4  -0.055639   0.178902   0.115637
-    1SOL     H5    5  -0.084201   0.102277   0.165388
-    1SOL     H6    6   0.036285   0.190287   0.139774
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-    6
-    0SOL     O1    1  -0.036722   0.063914   0.211412
-    0SOL     H2    2  -0.019121  -0.020935   0.252072
-    0SOL     H3    3   0.006945   0.059287   0.126358
-    1SOL     O4    4   0.032757  -0.065957  -0.208335
-    1SOL     H5    5   0.082550  -0.010240  -0.148514
-    1SOL     H6    6  -0.014819  -0.004583  -0.264300
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.163984  -0.146068  -0.043270
-    0SOL     H2    2   0.136121  -0.228474  -0.003330
-    0SOL     H3    3   0.100938  -0.131011  -0.113703
-    1SOL     O4    4  -0.159456   0.143687   0.043232
-    1SOL     H5    5  -0.190687   0.182720   0.124861
-    1SOL     H6    6  -0.119866   0.216538  -0.004598
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.227478   0.021192  -0.046117
-    0SOL     H2    2   0.140084  -0.010904  -0.068352
-    0SOL     H3    3   0.227156   0.027474   0.049396
-    1SOL     O4    4  -0.224293  -0.023013   0.036328
-    1SOL     H5    5  -0.231338   0.070168   0.057062
-    1SOL     H6    6  -0.196281  -0.063782   0.118276
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.219197   0.024101  -0.054436
-    0SOL     H2    2   0.310397  -0.004500  -0.049240
-    0SOL     H3    3   0.183313  -0.023598  -0.129265
-    1SOL     O4    4  -0.217848  -0.015401   0.057620
-    1SOL     H5    5  -0.262654  -0.049436   0.135055
-    1SOL     H6    6  -0.249583  -0.069921  -0.014372
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.214734  -0.008773  -0.084054
-    0SOL     H2    2  -0.188236   0.073400  -0.042729
-    0SOL     H3    3  -0.287842   0.015436  -0.140900
-    1SOL     O4    4   0.222437   0.005425   0.088873
-    1SOL     H5    5   0.154810   0.053591   0.041239
-    1SOL     H6    6   0.204251  -0.086607   0.069858
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.240363  -0.015209   0.030982
-    0SOL     H2    2   0.195406  -0.005287  -0.052939
-    0SOL     H3    3   0.257565  -0.109106   0.038038
-    1SOL     O4    4  -0.243481   0.020493  -0.023463
-    1SOL     H5    5  -0.185723   0.093297  -0.046395
-    1SOL     H6    6  -0.200237  -0.056802  -0.059764
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.232582  -0.083115  -0.019058
-    0SOL     H2    2   0.232042  -0.024558  -0.094775
-    0SOL     H3    3   0.140188  -0.094205   0.003363
-    1SOL     O4    4  -0.222727   0.083184   0.025736
-    1SOL     H5    5  -0.252646   0.105600  -0.062381
-    1SOL     H6    6  -0.273292   0.005364   0.049177
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088410  -0.156894   0.174236
-    0SOL     H2    2  -0.001099  -0.136608   0.207814
-    0SOL     H3    3  -0.109848  -0.083194   0.117044
-    1SOL     O4    4   0.085568   0.153078  -0.167444
-    1SOL     H5    5   0.110858   0.197661  -0.248284
-    1SOL     H6    6   0.038932   0.074806  -0.196785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133785   0.037739   0.209063
-    0SOL     H2    2   0.104679   0.048497   0.118512
-    0SOL     H3    3   0.059657  -0.003564   0.253352
-    1SOL     O4    4  -0.122694  -0.031086  -0.207061
-    1SOL     H5    5  -0.109418  -0.125818  -0.210509
-    1SOL     H6    6  -0.216508  -0.020560  -0.191234
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.125408   0.123078   0.167019
-    0SOL     H2    2  -0.136707   0.059472   0.237651
-    0SOL     H3    3  -0.076549   0.194988   0.207069
-    1SOL     O4    4   0.125381  -0.126307  -0.178303
-    1SOL     H5    5   0.173036  -0.099382  -0.099777
-    1SOL     H6    6   0.033948  -0.105340  -0.159258
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.114503   0.157436  -0.158556
-    0SOL     H2    2   0.028043   0.188426  -0.185513
-    0SOL     H3    3   0.096630   0.093127  -0.089947
-    1SOL     O4    4  -0.109691  -0.151171   0.150770
-    1SOL     H5    5  -0.090147  -0.244727   0.145523
-    1SOL     H6    6  -0.110376  -0.132020   0.244552
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006506  -0.084935  -0.231975
-    0SOL     H2    2   0.099138  -0.066528  -0.247559
-    0SOL     H3    3  -0.039933  -0.027892  -0.293228
-    1SOL     O4    4  -0.015334   0.083349   0.236558
-    1SOL     H5    5   0.061850   0.123517   0.276451
-    1SOL     H6    6   0.018696   0.006862   0.190148
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104134  -0.068680  -0.214914
-    0SOL     H2    2   0.064209  -0.155676  -0.215169
-    0SOL     H3    3   0.133520  -0.055496  -0.305052
-    1SOL     O4    4  -0.105556   0.077751   0.220940
-    1SOL     H5    5  -0.082200   0.001406   0.273744
-    1SOL     H6    6  -0.092856   0.049158   0.130478
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.048320   0.075664  -0.258639
-    0SOL     H2    2  -0.136352   0.061529  -0.223813
-    0SOL     H3    3  -0.006203   0.133206  -0.194784
-    1SOL     O4    4   0.052335  -0.073056   0.248730
-    1SOL     H5    5   0.075306  -0.165457   0.238898
-    1SOL     H6    6   0.007962  -0.068236   0.333406
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.150622  -0.113809   0.185834
-    0SOL     H2    2   0.194206  -0.052334   0.244856
-    0SOL     H3    3   0.117421  -0.182797   0.243284
-    1SOL     O4    4  -0.153938   0.116002  -0.187230
-    1SOL     H5    5  -0.188476   0.092646  -0.273391
-    1SOL     H6    6  -0.059057   0.107060  -0.196178
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097210  -0.237881  -0.121356
-    0SOL     H2    2   0.157255  -0.258954  -0.192860
-    0SOL     H3    3   0.131375  -0.156388  -0.084558
-    1SOL     O4    4  -0.101947   0.230055   0.127649
-    1SOL     H5    5  -0.174285   0.253337   0.069446
-    1SOL     H6    6  -0.032102   0.291409   0.104853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032313   0.073457   0.276700
-    0SOL     H2    2   0.035027   0.065456   0.181354
-    0SOL     H3    3  -0.060392   0.085747   0.297122
-    1SOL     O4    4  -0.031764  -0.073728  -0.276699
-    1SOL     H5    5   0.038627  -0.009347  -0.268798
-    1SOL     H6    6  -0.015748  -0.135659  -0.205493
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.013076   0.163496   0.250579
-    0SOL     H2    2   0.034995   0.071996   0.232983
-    0SOL     H3    3  -0.027767   0.194370   0.169703
-    1SOL     O4    4  -0.011286  -0.165598  -0.249454
-    1SOL     H5    5  -0.065587  -0.086916  -0.254241
-    1SOL     H6    6   0.035782  -0.157264  -0.166524
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.158617  -0.112353   0.238871
-    0SOL     H2    2  -0.186043  -0.082295   0.325512
-    0SOL     H3    3  -0.239117  -0.112961   0.187086
-    1SOL     O4    4   0.162243   0.110908  -0.246326
-    1SOL     H5    5   0.118788   0.137724  -0.165363
-    1SOL     H6    6   0.248600   0.080582  -0.218304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.168474   0.278322  -0.046101
-    0SOL     H2    2  -0.100787   0.265619   0.020378
-    0SOL     H3    3  -0.181768   0.373070  -0.049015
-    1SOL     O4    4   0.164215  -0.289585   0.045229
-    1SOL     H5    5   0.188758  -0.276560  -0.046370
-    1SOL     H6    6   0.154306  -0.201051   0.080241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.210122  -0.163660  -0.208599
-    0SOL     H2    2   0.305044  -0.175492  -0.205116
-    0SOL     H3    3   0.185067  -0.195991  -0.295139
-    1SOL     O4    4  -0.213527   0.160656   0.208639
-    1SOL     H5    5  -0.139805   0.204064   0.251572
-    1SOL     H6    6  -0.290647   0.208280   0.239407
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139782   0.207147  -0.246161
-    0SOL     H2    2   0.077372   0.138364  -0.269321
-    0SOL     H3    3   0.206488   0.203093  -0.314690
-    1SOL     O4    4  -0.135203  -0.205248   0.254475
-    1SOL     H5    5  -0.208075  -0.157597   0.294243
-    1SOL     H6    6  -0.158621  -0.212020   0.161912
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153385  -0.320279   0.078251
-    0SOL     H2    2   0.097586  -0.398049   0.079020
-    0SOL     H3    3   0.124051  -0.270449   0.001969
-    1SOL     O4    4  -0.153970   0.321025  -0.076031
-    1SOL     H5    5  -0.103847   0.255696  -0.027224
-    1SOL     H6    6  -0.096024   0.397062  -0.080830
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043587  -0.324754   0.151349
-    0SOL     H2    2   0.000153  -0.409151   0.162582
-    0SOL     H3    3  -0.039868  -0.308144   0.057154
-    1SOL     O4    4   0.038603   0.326345  -0.152546
-    1SOL     H5    5   0.088758   0.272753  -0.091108
-    1SOL     H6    6   0.029028   0.410773  -0.108473
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090734   0.101591  -0.359065
-    0SOL     H2    2   0.144418   0.032871  -0.319594
-    0SOL     H3    3   0.153043   0.170563  -0.381928
-    1SOL     O4    4  -0.099938  -0.106412   0.354951
-    1SOL     H5    5  -0.006548  -0.101021   0.375241
-    1SOL     H6    6  -0.137829  -0.028372   0.395402
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.275583  -0.219970   0.153515
-    0SOL     H2    2   0.240685  -0.225440   0.242478
-    0SOL     H3    3   0.282647  -0.311029   0.124866
-    1SOL     O4    4  -0.276636   0.221895  -0.161473
-    1SOL     H5    5  -0.184659   0.247838  -0.156053
-    1SOL     H6    6  -0.317237   0.261145  -0.084186
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120416   0.172255  -0.342506
-    0SOL     H2    2  -0.097194   0.232750  -0.412957
-    0SOL     H3    3  -0.180903   0.110183  -0.383136
-    1SOL     O4    4   0.126214  -0.175463   0.354188
-    1SOL     H5    5   0.066534  -0.101406   0.364965
-    1SOL     H6    6   0.125266  -0.193569   0.260201
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.311920   0.199335   0.200119
-    0SOL     H2    2   0.217977   0.182712   0.207910
-    0SOL     H3    3   0.348623   0.169030   0.283166
-    1SOL     O4    4  -0.309599  -0.192743  -0.200477
-    1SOL     H5    5  -0.337993  -0.284088  -0.196991
-    1SOL     H6    6  -0.267241  -0.184020  -0.285870
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.323315   0.044691  -0.394516
-    0SOL     H2    2  -0.348111   0.032739  -0.302839
-    0SOL     H3    3  -0.346486  -0.038084  -0.436631
-    1SOL     O4    4   0.330922  -0.040463   0.387518
-    1SOL     H5    5   0.337782   0.022177   0.459570
-    1SOL     H6    6   0.241435  -0.073950   0.393269
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.396774  -0.083025   0.351726
-    0SOL     H2    2  -0.312903  -0.063326   0.393439
-    0SOL     H3    3  -0.462348  -0.059264   0.417283
-    1SOL     O4    4   0.389849   0.079049  -0.359141
-    1SOL     H5    5   0.423763   0.074662  -0.269738
-    1SOL     H6    6   0.462467   0.114191  -0.410657
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-    6
-    0SOL     O1    1  -0.284543   0.254441   0.514215
-    0SOL     H2    2  -0.315640   0.307333   0.587685
-    0SOL     H3    3  -0.231784   0.314754   0.461859
-    1SOL     O4    4   0.281896  -0.255617  -0.515751
-    1SOL     H5    5   0.287223  -0.309531  -0.436838
-    1SOL     H6    6   0.305368  -0.315029  -0.587036
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.039774   0.058474   0.116378
-    0SOL     H2    2  -0.012712  -0.004728   0.165500
-    0SOL     H3    3   0.039872   0.025031   0.026690
-    1SOL     O4    4  -0.033226  -0.051127  -0.109061
-    1SOL     H5    5  -0.044959  -0.140644  -0.140861
-    1SOL     H6    6  -0.085358   0.002568  -0.168738
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.065282   0.040414   0.108377
-    0SOL     H2    2   0.153279   0.038270   0.070769
-    0SOL     H3    3   0.065950  -0.028367   0.174942
-    1SOL     O4    4  -0.070328  -0.036804  -0.116953
-    1SOL     H5    5   0.005639  -0.020710  -0.060985
-    1SOL     H6    6  -0.143300  -0.047363  -0.055914
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073377  -0.092062  -0.059914
-    0SOL     H2    2  -0.082900  -0.127581   0.028460
-    0SOL     H3    3  -0.158792  -0.106127  -0.100764
-    1SOL     O4    4   0.077531   0.093326   0.062965
-    1SOL     H5    5   0.028601   0.070447  -0.016060
-    1SOL     H6    6   0.150643   0.146430   0.031391
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003288   0.098947   0.084461
-    0SOL     H2    2   0.069767   0.120406   0.142468
-    0SOL     H3    3  -0.052113   0.180848   0.076052
-    1SOL     O4    4   0.000141  -0.105624  -0.093434
-    1SOL     H5    5  -0.006421  -0.165071  -0.018698
-    1SOL     H6    6   0.039082  -0.025960  -0.057384
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057434   0.085424  -0.093216
-    0SOL     H2    2  -0.042533   0.002674  -0.047470
-    0SOL     H3    3  -0.141118   0.073314  -0.138080
-    1SOL     O4    4   0.057159  -0.074372   0.095102
-    1SOL     H5    5   0.142450  -0.097059   0.132157
-    1SOL     H6    6   0.043965  -0.137805   0.024642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092019   0.072689   0.082578
-    0SOL     H2    2  -0.017907   0.059998   0.023344
-    0SOL     H3    3  -0.153635   0.003290   0.059135
-    1SOL     O4    4   0.088287  -0.062536  -0.076722
-    1SOL     H5    5   0.090718  -0.118687  -0.154204
-    1SOL     H6    6   0.145288  -0.106355  -0.013531
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.117618  -0.078443  -0.016677
-    0SOL     H2    2  -0.094281   0.008805   0.015033
-    0SOL     H3    3  -0.075625  -0.084829  -0.102456
-    1SOL     O4    4   0.111392   0.069876   0.024400
-    1SOL     H5    5   0.140399   0.161072   0.026461
-    1SOL     H6    6   0.127058   0.041742  -0.065741
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003624  -0.069627   0.115032
-    0SOL     H2    2   0.042281  -0.147920   0.084613
-    0SOL     H3    3  -0.089606  -0.101407   0.142592
-    1SOL     O4    4   0.002705   0.077462  -0.121464
-    1SOL     H5    5  -0.020640   0.011799  -0.055845
-    1SOL     H6    6   0.075035   0.126173  -0.081995
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077063  -0.078467  -0.085443
-    0SOL     H2    2   0.138086  -0.149246  -0.064731
-    0SOL     H3    3   0.000285  -0.096316  -0.031139
-    1SOL     O4    4  -0.070035   0.080230   0.079912
-    1SOL     H5    5  -0.133293   0.112706   0.015833
-    1SOL     H6    6  -0.109823   0.099508   0.164809
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130652  -0.039959  -0.046188
-    0SOL     H2    2  -0.038468  -0.016412  -0.035701
-    0SOL     H3    3  -0.138720  -0.125088  -0.003174
-    1SOL     O4    4   0.121212   0.043334   0.039391
-    1SOL     H5    5   0.189093  -0.023882   0.045427
-    1SOL     H6    6   0.144636   0.107212   0.106720
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140288   0.002804   0.004748
-    0SOL     H2    2  -0.119475  -0.017916   0.095852
-    0SOL     H3    3  -0.166437   0.094868   0.006446
-    1SOL     O4    4   0.142254  -0.013218  -0.009524
-    1SOL     H5    5   0.062989   0.014675  -0.055365
-    1SOL     H6    6   0.185279   0.068429   0.015871
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056405  -0.020937  -0.126064
-    0SOL     H2    2   0.027710  -0.010004  -0.170420
-    0SOL     H3    3  -0.101110   0.062796  -0.138415
-    1SOL     O4    4   0.059863   0.012637   0.128820
-    1SOL     H5    5  -0.013625   0.016025   0.067580
-    1SOL     H6    6   0.032531   0.067717   0.202178
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034467   0.035592  -0.125939
-    0SOL     H2    2   0.041272   0.037846  -0.184426
-    0SOL     H3    3  -0.109288   0.053595  -0.182859
-    1SOL     O4    4   0.032751  -0.035607   0.138169
-    1SOL     H5    5   0.121942  -0.063223   0.117083
-    1SOL     H6    6  -0.011920  -0.032116   0.053584
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058777  -0.101281  -0.085864
-    0SOL     H2    2   0.033363  -0.067445  -0.000007
-    0SOL     H3    3  -0.013703  -0.158252  -0.111621
-    1SOL     O4    4  -0.060247   0.103259   0.080703
-    1SOL     H5    5  -0.024741   0.062297   0.159594
-    1SOL     H6    6   0.016881   0.131225   0.031393
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124504   0.050102   0.062165
-    0SOL     H2    2  -0.034519   0.063331   0.032329
-    0SOL     H3    3  -0.120841  -0.029771   0.114789
-    1SOL     O4    4   0.111366  -0.046923  -0.059772
-    1SOL     H5    5   0.152367   0.037032  -0.080580
-    1SOL     H6    6   0.170132  -0.112350  -0.097563
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104951  -0.078087  -0.056639
-    0SOL     H2    2  -0.118542  -0.115547   0.030392
-    0SOL     H3    3  -0.170022  -0.008185  -0.063107
-    1SOL     O4    4   0.111213   0.079938   0.058245
-    1SOL     H5    5   0.054613   0.002987   0.052124
-    1SOL     H6    6   0.135906   0.098830  -0.032285
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099571  -0.030524   0.090723
-    0SOL     H2    2  -0.183669   0.004971   0.119530
-    0SOL     H3    3  -0.097683  -0.119458   0.126072
-    1SOL     O4    4   0.108323   0.028386  -0.095433
-    1SOL     H5    5   0.053383   0.049539  -0.019959
-    1SOL     H6    6   0.093657   0.100421  -0.156736
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014285  -0.070389  -0.133470
-    0SOL     H2    2  -0.108185  -0.080702  -0.118013
-    0SOL     H3    3   0.014980  -0.010780  -0.064531
-    1SOL     O4    4   0.019452   0.062518   0.123196
-    1SOL     H5    5   0.003125   0.046756   0.216187
-    1SOL     H6    6   0.014894   0.157668   0.113821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017422  -0.037566  -0.134159
-    0SOL     H2    2   0.040308  -0.122857  -0.171090
-    0SOL     H3    3   0.023926   0.023062  -0.207945
-    1SOL     O4    4  -0.021491   0.045419   0.141330
-    1SOL     H5    5   0.029291   0.006866   0.069936
-    1SOL     H6    6  -0.032534  -0.025928   0.204179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043243  -0.138419   0.044945
-    0SOL     H2    2   0.015416  -0.082756  -0.006271
-    0SOL     H3    3  -0.124853  -0.139696  -0.005060
-    1SOL     O4    4   0.047259   0.130954  -0.034245
-    1SOL     H5    5  -0.029977   0.119875  -0.089690
-    1SOL     H6    6   0.082864   0.216159  -0.059439
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007897   0.111860  -0.105145
-    0SOL     H2    2  -0.010543   0.021050  -0.074996
-    0SOL     H3    3  -0.088756   0.150629  -0.071663
-    1SOL     O4    4   0.007085  -0.109848   0.100134
-    1SOL     H5    5   0.087951  -0.157375   0.081047
-    1SOL     H6    6   0.034616  -0.037046   0.155850
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040401   0.001301  -0.152955
-    0SOL     H2    2   0.063353  -0.082358  -0.112499
-    0SOL     H3    3   0.011413   0.056082  -0.080010
-    1SOL     O4    4  -0.043392  -0.002972   0.141378
-    1SOL     H5    5  -0.054356   0.090147   0.160637
-    1SOL     H6    6   0.025762  -0.031818   0.200943
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097632  -0.102731   0.059020
-    0SOL     H2    2  -0.066272  -0.045114  -0.010687
-    0SOL     H3    3  -0.152635  -0.166948   0.014151
-    1SOL     O4    4   0.093999   0.101626  -0.048641
-    1SOL     H5    5   0.126197   0.043627  -0.117647
-    1SOL     H6    6   0.144138   0.182391  -0.059839
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006922   0.150096   0.001079
-    0SOL     H2    2   0.073016   0.208990   0.037485
-    0SOL     H3    3   0.039722   0.128195  -0.086138
-    1SOL     O4    4  -0.018922  -0.153548   0.000305
-    1SOL     H5    5   0.052114  -0.213722   0.022562
-    1SOL     H6    6   0.018014  -0.066429   0.014742
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025085   0.152905   0.022110
-    0SOL     H2    2   0.055196   0.200367   0.043666
-    0SOL     H3    3   0.005127   0.067733  -0.009440
-    1SOL     O4    4   0.012967  -0.152392  -0.020283
-    1SOL     H5    5   0.088687  -0.141396   0.037230
-    1SOL     H6    6   0.046886  -0.135313  -0.108147
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.159889   0.006992  -0.011753
-    0SOL     H2    2  -0.125730  -0.081683  -0.000254
-    0SOL     H3    3  -0.082653   0.060154  -0.031005
-    1SOL     O4    4   0.152703  -0.001054   0.008016
-    1SOL     H5    5   0.144116  -0.096323   0.004520
-    1SOL     H6    6   0.187897   0.016685   0.095246
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106115  -0.024467   0.114769
-    0SOL     H2    2   0.033113  -0.070737   0.073632
-    0SOL     H3    3   0.183507  -0.054633   0.067200
-    1SOL     O4    4  -0.110000   0.023783  -0.107070
-    1SOL     H5    5  -0.057962   0.028988  -0.187241
-    1SOL     H6    6  -0.101868   0.110562  -0.067504
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.131759   0.074481   0.036009
-    0SOL     H2    2  -0.038295   0.094557   0.040889
-    0SOL     H3    3  -0.167203   0.104744   0.119616
-    1SOL     O4    4   0.130984  -0.072757  -0.044992
-    1SOL     H5    5   0.038507  -0.097462  -0.044775
-    1SOL     H6    6   0.172663  -0.135265   0.014319
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094534  -0.053683  -0.107958
-    0SOL     H2    2   0.079173   0.033575  -0.144185
-    0SOL     H3    3   0.065385  -0.113653  -0.176633
-    1SOL     O4    4  -0.090908   0.054810   0.109279
-    1SOL     H5    5  -0.033741  -0.010763   0.149209
-    1SOL     H6    6  -0.164684   0.062374   0.169796
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017041  -0.070810  -0.131961
-    0SOL     H2    2  -0.048411  -0.044034  -0.196470
-    0SOL     H3    3   0.100876  -0.059707  -0.176803
-    1SOL     O4    4  -0.022253   0.065471   0.142628
-    1SOL     H5    5   0.024023   0.147749   0.158476
-    1SOL     H6    6   0.005680   0.038705   0.055075
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115028  -0.097315  -0.023058
-    0SOL     H2    2  -0.196309  -0.047046  -0.028402
-    0SOL     H3    3  -0.129832  -0.159364   0.048308
-    1SOL     O4    4   0.123656   0.103607   0.019445
-    1SOL     H5    5   0.142508   0.025439  -0.032486
-    1SOL     H6    6   0.047817   0.079396   0.072592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073743  -0.065822  -0.113602
-    0SOL     H2    2   0.154517  -0.017462  -0.096306
-    0SOL     H3    3   0.099264  -0.133545  -0.176248
-    1SOL     O4    4  -0.081683   0.062397   0.121342
-    1SOL     H5    5  -0.082258   0.052886   0.026098
-    1SOL     H6    6  -0.058019   0.153952   0.136175
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006328  -0.025422   0.157626
-    0SOL     H2    2  -0.022603  -0.026350   0.063304
-    0SOL     H3    3  -0.093045  -0.015196   0.196843
-    1SOL     O4    4   0.006691   0.028143  -0.153434
-    1SOL     H5    5   0.029074  -0.029900  -0.226183
-    1SOL     H6    6   0.084994   0.028918  -0.098385
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032868   0.149462  -0.028466
-    0SOL     H2    2   0.074241   0.167400   0.055966
-    0SOL     H3    3  -0.048016   0.200625  -0.026908
-    1SOL     O4    4  -0.024493  -0.153243   0.025214
-    1SOL     H5    5  -0.098283  -0.151954   0.086171
-    1SOL     H6    6  -0.064677  -0.145141  -0.061285
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065759   0.132704   0.078932
-    0SOL     H2    2  -0.024081   0.117011   0.049866
-    0SOL     H3    3   0.104180   0.045350   0.086374
-    1SOL     O4    4  -0.056791  -0.131122  -0.076027
-    1SOL     H5    5  -0.147085  -0.151993  -0.052074
-    1SOL     H6    6  -0.063094  -0.048219  -0.123457
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131156  -0.065622   0.056139
-    0SOL     H2    2   0.209425  -0.051339   0.109358
-    0SOL     H3    3   0.082749  -0.133954   0.102506
-    1SOL     O4    4  -0.132686   0.075062  -0.063329
-    1SOL     H5    5  -0.056003   0.022344  -0.040906
-    1SOL     H6    6  -0.206370   0.014341  -0.056550
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013837   0.039571  -0.162072
-    0SOL     H2    2  -0.034233   0.122410  -0.118665
-    0SOL     H3    3   0.054936   0.000519  -0.108150
-    1SOL     O4    4   0.014766  -0.043145   0.162135
-    1SOL     H5    5  -0.002326  -0.106137   0.092119
-    1SOL     H6    6  -0.030934   0.036327   0.134600
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057234   0.147442  -0.005192
-    0SOL     H2    2  -0.122887   0.171777  -0.070459
-    0SOL     H3    3  -0.035821   0.229560   0.039084
-    1SOL     O4    4   0.064441  -0.153279   0.006442
-    1SOL     H5    5   0.005489  -0.228329   0.013830
-    1SOL     H6    6   0.006431  -0.078531  -0.008047
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046250   0.151235   0.065007
-    0SOL     H2    2  -0.116406   0.207332   0.031936
-    0SOL     H3    3  -0.013423   0.105649  -0.012496
-    1SOL     O4    4   0.052629  -0.147087  -0.060226
-    1SOL     H5    5   0.081308  -0.236737  -0.042823
-    1SOL     H6    6  -0.042834  -0.150855  -0.054315
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004539   0.099515   0.140508
-    0SOL     H2    2   0.023641   0.069831   0.053980
-    0SOL     H3    3  -0.029492   0.191011   0.127541
-    1SOL     O4    4   0.002539  -0.098094  -0.140928
-    1SOL     H5    5  -0.056873  -0.141162  -0.079465
-    1SOL     H6    6   0.089682  -0.128128  -0.115112
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096610  -0.027017  -0.140452
-    0SOL     H2    2  -0.167917  -0.089696  -0.128246
-    0SOL     H3    3  -0.105151   0.033668  -0.066922
-    1SOL     O4    4   0.094835   0.028335   0.133161
-    1SOL     H5    5   0.123975  -0.047694   0.183487
-    1SOL     H6    6   0.173895   0.080964   0.121244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101827  -0.074168  -0.122179
-    0SOL     H2    2  -0.044946  -0.000213  -0.100789
-    0SOL     H3    3  -0.063073  -0.112242  -0.200988
-    1SOL     O4    4   0.095886   0.076853   0.120734
-    1SOL     H5    5   0.079567   0.092236   0.213790
-    1SOL     H6    6   0.120507  -0.015506   0.115634
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093631   0.097746   0.106421
-    0SOL     H2    2  -0.117569   0.083559   0.198007
-    0SOL     H3    3  -0.163371   0.055216   0.056523
-    1SOL     O4    4   0.098332  -0.100259  -0.113047
-    1SOL     H5    5   0.051808  -0.087164  -0.030425
-    1SOL     H6    6   0.154078  -0.022931  -0.121715
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003374  -0.141942  -0.095207
-    0SOL     H2    2   0.086533  -0.174784  -0.094460
-    0SOL     H3    3  -0.026340  -0.136976  -0.187998
-    1SOL     O4    4  -0.000205   0.140287   0.094918
-    1SOL     H5    5   0.050450   0.215766   0.124909
-    1SOL     H6    6  -0.059345   0.120670   0.167581
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028600   0.180490   0.001579
-    0SOL     H2    2   0.046037   0.164104  -0.056068
-    0SOL     H3    3  -0.034951   0.101723   0.055594
-    1SOL     O4    4   0.020912  -0.171107   0.003595
-    1SOL     H5    5   0.106536  -0.152635  -0.035002
-    1SOL     H6    6  -0.007357  -0.252312  -0.038464
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057389  -0.164162  -0.024419
-    0SOL     H2    2   0.125050  -0.114709   0.021828
-    0SOL     H3    3   0.067989  -0.254102   0.006575
-    1SOL     O4    4  -0.066888   0.171495   0.020835
-    1SOL     H5    5  -0.001161   0.136190   0.080800
-    1SOL     H6    6  -0.050484   0.126415  -0.061996
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113063   0.149699   0.003829
-    0SOL     H2    2  -0.059817   0.070173   0.002161
-    0SOL     H3    3  -0.073307   0.206585  -0.062094
-    1SOL     O4    4   0.107046  -0.143104  -0.003732
-    1SOL     H5    5   0.089600  -0.147511   0.090282
-    1SOL     H6    6   0.135080  -0.231589  -0.027112
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.164352   0.060149   0.036894
-    0SOL     H2    2   0.184239   0.024672   0.123544
-    0SOL     H3    3   0.246594   0.099375   0.007569
-    1SOL     O4    4  -0.174495  -0.058533  -0.035788
-    1SOL     H5    5  -0.168967  -0.016031  -0.121376
-    1SOL     H6    6  -0.109503  -0.128703  -0.039595
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.163774  -0.080226   0.014228
-    0SOL     H2    2   0.181250   0.007866   0.047345
-    0SOL     H3    3   0.245850  -0.107058  -0.027075
-    1SOL     O4    4  -0.165470   0.070879  -0.011741
-    1SOL     H5    5  -0.255936   0.092370   0.010982
-    1SOL     H6    6  -0.136757   0.143450  -0.067160
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.151518   0.121894  -0.004145
-    0SOL     H2    2   0.144625   0.165403   0.080836
-    0SOL     H3    3   0.098476   0.042746   0.005044
-    1SOL     O4    4  -0.147297  -0.118031  -0.007405
-    1SOL     H5    5  -0.227836  -0.131886   0.042433
-    1SOL     H6    6  -0.077077  -0.139363   0.054049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148765  -0.114546   0.015545
-    0SOL     H2    2   0.078288  -0.136277   0.076562
-    0SOL     H3    3   0.213416  -0.184059   0.027816
-    1SOL     O4    4  -0.146794   0.125978  -0.016787
-    1SOL     H5    5  -0.151730   0.103547  -0.109711
-    1SOL     H6    6  -0.164031   0.043564   0.028744
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.183450   0.018113   0.027829
-    0SOL     H2    2  -0.237946  -0.015126  -0.043499
-    0SOL     H3    3  -0.232971  -0.001992   0.107238
-    1SOL     O4    4   0.192292  -0.019147  -0.023719
-    1SOL     H5    5   0.225377   0.039164  -0.092039
-    1SOL     H6    6   0.097214  -0.017394  -0.034642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069646  -0.089735   0.158996
-    0SOL     H2    2   0.155619  -0.051715   0.177037
-    0SOL     H3    3   0.048236  -0.059810   0.070631
-    1SOL     O4    4  -0.073161   0.079601  -0.154925
-    1SOL     H5    5  -0.004145   0.142802  -0.134809
-    1SOL     H6    6  -0.149968   0.133315  -0.174365
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.163713   0.022765   0.111506
-    0SOL     H2    2   0.151526   0.041935   0.204492
-    0SOL     H3    3   0.105289  -0.051096   0.094372
-    1SOL     O4    4  -0.159008  -0.021536  -0.122022
-    1SOL     H5    5  -0.153628   0.065933  -0.083520
-    1SOL     H6    6  -0.179736  -0.078972  -0.048308
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161010  -0.042580  -0.138904
-    0SOL     H2    2  -0.085425  -0.084718  -0.179814
-    0SOL     H3    3  -0.139873  -0.040769  -0.045565
-    1SOL     O4    4   0.156579   0.048888   0.140539
-    1SOL     H5    5   0.165995   0.065814   0.046799
-    1SOL     H6    6   0.132530  -0.043605   0.145928
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054897  -0.081567  -0.183978
-    0SOL     H2    2   0.009805  -0.101906  -0.251523
-    0SOL     H3    3  -0.126157  -0.143544  -0.199568
-    1SOL     O4    4   0.052612   0.092912   0.188904
-    1SOL     H5    5   0.019550   0.015389   0.143524
-    1SOL     H6    6   0.126720   0.060848   0.240307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.172498   0.135731   0.014929
-    0SOL     H2    2   0.083215   0.163050  -0.006152
-    0SOL     H3    3   0.197819   0.078504  -0.057503
-    1SOL     O4    4  -0.168355  -0.127240  -0.009680
-    1SOL     H5    5  -0.099078  -0.192426   0.000982
-    1SOL     H6    6  -0.248321  -0.178741  -0.020425
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059910  -0.116036   0.165776
-    0SOL     H2    2  -0.030929  -0.150873   0.250089
-    0SOL     H3    3  -0.125577  -0.178628   0.135240
-    1SOL     O4    4   0.065923   0.121367  -0.163994
-    1SOL     H5    5  -0.021380   0.082202  -0.166584
-    1SOL     H6    6   0.076693   0.161709  -0.250127
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.189159  -0.036390  -0.107346
-    0SOL     H2    2  -0.256921  -0.049277  -0.040979
-    0SOL     H3    3  -0.135819   0.035538  -0.073530
-    1SOL     O4    4   0.186179   0.035696   0.096914
-    1SOL     H5    5   0.156148   0.012593   0.184816
-    1SOL     H6    6   0.279307   0.013568   0.096782
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056441   0.026458  -0.205208
-    0SOL     H2    2  -0.017245   0.034926  -0.292124
-    0SOL     H3    3  -0.113559   0.102839  -0.197095
-    1SOL     O4    4   0.064093  -0.034711   0.211226
-    1SOL     H5    5   0.041799   0.056876   0.194576
-    1SOL     H6    6  -0.019764  -0.080764   0.208154
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.148355  -0.129322  -0.107315
-    0SOL     H2    2  -0.230965  -0.115004  -0.061132
-    0SOL     H3    3  -0.081026  -0.117303  -0.040347
-    1SOL     O4    4   0.151588   0.126613   0.094519
-    1SOL     H5    5   0.102459   0.203213   0.124202
-    1SOL     H6    6   0.155027   0.069184   0.171019
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118796  -0.017345   0.194093
-    0SOL     H2    2  -0.026479  -0.002169   0.214332
-    0SOL     H3    3  -0.125143  -0.003985   0.099522
-    1SOL     O4    4   0.118354   0.021889  -0.191692
-    1SOL     H5    5   0.025092   0.010476  -0.209979
-    1SOL     H6    6   0.146431  -0.062599  -0.156539
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104041   0.174076   0.112909
-    0SOL     H2    2   0.046355   0.104543   0.144530
-    0SOL     H3    3   0.066254   0.200285   0.028959
-    1SOL     O4    4  -0.097001  -0.171782  -0.115997
-    1SOL     H5    5  -0.043517  -0.178783  -0.036922
-    1SOL     H6    6  -0.186759  -0.164060  -0.083654
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077216  -0.205556  -0.079258
-    0SOL     H2    2  -0.136932  -0.143785  -0.037060
-    0SOL     H3    3   0.008572  -0.185304  -0.041939
-    1SOL     O4    4   0.079453   0.199755   0.079109
-    1SOL     H5    5   0.024227   0.275578   0.060050
-    1SOL     H6    6   0.059110   0.137170   0.009599
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028385  -0.036489  -0.223890
-    0SOL     H2    2  -0.050841   0.017031  -0.219294
-    0SOL     H3    3  -0.003750  -0.126402  -0.230624
-    1SOL     O4    4  -0.022968   0.035020   0.229597
-    1SOL     H5    5   0.054997   0.089474   0.218706
-    1SOL     H6    6  -0.069525   0.042839   0.146329
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146736   0.082927   0.148944
-    0SOL     H2    2  -0.240688   0.098140   0.159137
-    0SOL     H3    3  -0.105530   0.149522   0.203986
-    1SOL     O4    4   0.156048  -0.089051  -0.150736
-    1SOL     H5    5   0.125759  -0.095447  -0.241312
-    1SOL     H6    6   0.078459  -0.062636  -0.101294
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146600   0.086115  -0.167893
-    0SOL     H2    2  -0.143714   0.155009  -0.101502
-    0SOL     H3    3  -0.085378   0.019695  -0.136229
-    1SOL     O4    4   0.148087  -0.085565   0.168418
-    1SOL     H5    5   0.137990  -0.151229   0.099507
-    1SOL     H6    6   0.078004  -0.022490   0.151919
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077953  -0.143933  -0.176914
-    0SOL     H2    2  -0.102544  -0.053334  -0.195609
-    0SOL     H3    3  -0.063580  -0.145863  -0.082299
-    1SOL     O4    4   0.081815   0.144255   0.169818
-    1SOL     H5    5   0.046775   0.067306   0.124947
-    1SOL     H6    6   0.060526   0.130021   0.262048
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.168772   0.048863   0.157328
-    0SOL     H2    2  -0.139113   0.112732   0.222162
-    0SOL     H3    3  -0.135253  -0.034962   0.189142
-    1SOL     O4    4   0.168496  -0.045845  -0.156526
-    1SOL     H5    5   0.175987  -0.132007  -0.197541
-    1SOL     H6    6   0.111684   0.003884  -0.215362
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.109833   0.171978   0.119035
-    0SOL     H2    2  -0.181684   0.147856   0.060572
-    0SOL     H3    3  -0.134421   0.258005   0.153050
-    1SOL     O4    4   0.112897  -0.180734  -0.119754
-    1SOL     H5    5   0.064022  -0.098462  -0.121964
-    1SOL     H6    6   0.197766  -0.157231  -0.082243
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.181324   0.059154  -0.146616
-    0SOL     H2    2   0.191837   0.074623  -0.240491
-    0SOL     H3    3   0.173876   0.146666  -0.108558
-    1SOL     O4    4  -0.175785  -0.062901   0.150762
-    1SOL     H5    5  -0.214326  -0.104741   0.073779
-    1SOL     H6    6  -0.245497  -0.064436   0.216338
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.236077   0.062043   0.015271
-    0SOL     H2    2   0.150955   0.099951  -0.006628
-    0SOL     H3    3   0.289295   0.136751   0.042636
-    1SOL     O4    4  -0.236142  -0.074872  -0.011944
-    1SOL     H5    5  -0.224946  -0.061596  -0.106076
-    1SOL     H6    6  -0.217120   0.010576   0.026774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042044   0.136971   0.198977
-    0SOL     H2    2  -0.077259   0.206945   0.253985
-    0SOL     H3    3  -0.018971   0.180338   0.116823
-    1SOL     O4    4   0.047620  -0.137459  -0.197827
-    1SOL     H5    5   0.048950  -0.228724  -0.168996
-    1SOL     H6    6  -0.042643  -0.122489  -0.225949
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.223652  -0.064893  -0.098279
-    0SOL     H2    2  -0.269732  -0.090454  -0.018369
-    0SOL     H3    3  -0.218061   0.030532  -0.093277
-    1SOL     O4    4   0.225893   0.057350   0.088367
-    1SOL     H5    5   0.166127   0.043789   0.161895
-    1SOL     H6    6   0.280861   0.130914   0.115373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011747   0.071020   0.245358
-    0SOL     H2    2  -0.068573   0.033405   0.281361
-    0SOL     H3    3   0.064705  -0.004753   0.220533
-    1SOL     O4    4  -0.003772  -0.064139  -0.245143
-    1SOL     H5    5  -0.060179  -0.134912  -0.213972
-    1SOL     H6    6  -0.062981  -0.004899  -0.291481
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092419   0.162754   0.179355
-    0SOL     H2    2  -0.133712   0.086159   0.219236
-    0SOL     H3    3  -0.133008   0.169633   0.092940
-    1SOL     O4    4   0.099396  -0.155126  -0.172673
-    1SOL     H5    5   0.084030  -0.249588  -0.174473
-    1SOL     H6    6   0.064564  -0.123553  -0.256053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080809  -0.127298   0.222837
-    0SOL     H2    2  -0.010275  -0.155588   0.230935
-    0SOL     H3    3   0.101414  -0.088141   0.307716
-    1SOL     O4    4  -0.079722   0.120549  -0.227752
-    1SOL     H5    5  -0.098392   0.205780  -0.188389
-    1SOL     H6    6  -0.003551   0.136077  -0.283602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092096   0.152237  -0.272040
-    0SOL     H2    2   0.061388   0.105289  -0.194482
-    0SOL     H3    3   0.168847   0.200825  -0.241859
-    1SOL     O4    4  -0.091231  -0.154802   0.260936
-    1SOL     H5    5  -0.135448  -0.070516   0.271091
-    1SOL     H6    6  -0.105539  -0.199607   0.344303
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.173048   0.207313  -0.184822
-    0SOL     H2    2   0.205447   0.195080  -0.095586
-    0SOL     H3    3   0.080488   0.229155  -0.173965
-    1SOL     O4    4  -0.173799  -0.203644   0.181931
-    1SOL     H5    5  -0.185970  -0.296319   0.161305
-    1SOL     H6    6  -0.087897  -0.182061   0.145636
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079268  -0.248028  -0.196020
-    0SOL     H2    2   0.162473  -0.290381  -0.174918
-    0SOL     H3    3   0.054985  -0.201586  -0.115921
-    1SOL     O4    4  -0.083927   0.243655   0.196099
-    1SOL     H5    5  -0.021858   0.228305   0.124866
-    1SOL     H6    6  -0.126601   0.326265   0.173363
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095693   0.001143   0.329266
-    0SOL     H2    2   0.086841   0.038708   0.241671
-    0SOL     H3    3   0.190028  -0.000056   0.345443
-    1SOL     O4    4  -0.102526  -0.008839  -0.328057
-    1SOL     H5    5  -0.117176   0.082976  -0.350809
-    1SOL     H6    6  -0.042165  -0.005833  -0.253829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.154656   0.071815   0.306796
-    0SOL     H2    2  -0.190330  -0.013937   0.283641
-    0SOL     H3    3  -0.129354   0.110688   0.223064
-    1SOL     O4    4   0.149997  -0.065425  -0.303517
-    1SOL     H5    5   0.216569  -0.043326  -0.238385
-    1SOL     H6    6   0.173269  -0.153580  -0.332662
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.339519  -0.096285   0.018886
-    0SOL     H2    2   0.307346  -0.010756   0.047380
-    0SOL     H3    3   0.343522  -0.148361   0.099100
-    1SOL     O4    4  -0.340068   0.087634  -0.021950
-    1SOL     H5    5  -0.393444   0.160273  -0.054153
-    1SOL     H6    6  -0.250326   0.120834  -0.024475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072864   0.297776   0.196293
-    0SOL     H2    2   0.125468   0.250735   0.260963
-    0SOL     H3    3   0.000468   0.238382   0.176456
-    1SOL     O4    4  -0.068561  -0.286675  -0.198700
-    1SOL     H5    5  -0.129194  -0.317945  -0.131557
-    1SOL     H6    6  -0.075136  -0.351340  -0.268967
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.130475   0.251989  -0.231691
-    0SOL     H2    2   0.133247   0.296048  -0.146760
-    0SOL     H3    3   0.142467   0.159295  -0.211044
-    1SOL     O4    4  -0.135050  -0.252824   0.221783
-    1SOL     H5    5  -0.154419  -0.209224   0.304766
-    1SOL     H6    6  -0.045903  -0.225269   0.200431
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116177  -0.343850  -0.143795
-    0SOL     H2    2  -0.189116  -0.385803  -0.098163
-    0SOL     H3    3  -0.139865  -0.348652  -0.236413
-    1SOL     O4    4   0.123353   0.342468   0.141689
-    1SOL     H5    5   0.063595   0.317543   0.212187
-    1SOL     H6    6   0.142353   0.434875   0.157880
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.383618  -0.052962  -0.063403
-    0SOL     H2    2  -0.346880  -0.062801  -0.151243
-    0SOL     H3    3  -0.478376  -0.056350  -0.076503
-    1SOL     O4    4   0.384534   0.048910   0.073637
-    1SOL     H5    5   0.444845   0.120346   0.094177
-    1SOL     H6    6   0.365957   0.059271  -0.019690
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.145783  -0.033978  -0.366893
-    0SOL     H2    2   0.074785  -0.085431  -0.328499
-    0SOL     H3    3   0.152665  -0.065956  -0.456851
-    1SOL     O4    4  -0.139367   0.045383   0.370680
-    1SOL     H5    5  -0.164423  -0.017767   0.438108
-    1SOL     H6    6  -0.156413   0.000250   0.288008
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.357306  -0.192695  -0.156463
-    0SOL     H2    2  -0.343905  -0.175739  -0.063215
-    0SOL     H3    3  -0.452226  -0.188772  -0.168170
-    1SOL     O4    4   0.362458   0.198932   0.153081
-    1SOL     H5    5   0.286362   0.146400   0.177823
-    1SOL     H6    6   0.426619   0.135070   0.121979
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.107591  -0.495564  -0.192710
-    0SOL     H2    2   0.156777  -0.413554  -0.188543
-    0SOL     H3    3   0.106313  -0.527394  -0.102446
-    1SOL     O4    4  -0.105521   0.496753   0.187117
-    1SOL     H5    5  -0.194460   0.511415   0.219325
-    1SOL     H6    6  -0.106516   0.406981   0.153915
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009943   0.100222  -0.066842
-    0SOL     H2    2   0.019134   0.035899  -0.137130
-    0SOL     H3    3  -0.057834   0.160234  -0.097942
-    1SOL     O4    4  -0.008966  -0.103269   0.078616
-    1SOL     H5    5  -0.028250  -0.012234   0.056185
-    1SOL     H6    6   0.036961  -0.137653   0.001995
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016650   0.033961  -0.127955
-    0SOL     H2    2   0.046071  -0.021914  -0.173849
-    0SOL     H3    3  -0.023925  -0.004750  -0.040715
-    1SOL     O4    4   0.013886  -0.029386   0.119500
-    1SOL     H5    5  -0.064136  -0.018235   0.173819
-    1SOL     H6    6   0.086463  -0.031420   0.181876
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130431  -0.028863  -0.018913
-    0SOL     H2    2  -0.148737   0.007101  -0.105710
-    0SOL     H3    3  -0.036450  -0.015423  -0.006699
-    1SOL     O4    4   0.120170   0.026302   0.022013
-    1SOL     H5    5   0.172509   0.106272   0.016755
-    1SOL     H6    6   0.184558  -0.043994   0.030673
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062114  -0.112786   0.024359
-    0SOL     H2    2   0.036580  -0.163139  -0.052939
-    0SOL     H3    3   0.153893  -0.090290   0.009104
-    1SOL     O4    4  -0.071829   0.116179  -0.019068
-    1SOL     H5    5  -0.027362   0.044701   0.026495
-    1SOL     H6    6  -0.004836   0.153466  -0.076373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057099   0.013062   0.121285
-    0SOL     H2    2  -0.148332   0.012622   0.092325
-    0SOL     H3    3  -0.052909  -0.055019   0.188440
-    1SOL     O4    4   0.068348  -0.008993  -0.124720
-    1SOL     H5    5  -0.005765   0.013518  -0.180960
-    1SOL     H6    6   0.028292  -0.040001  -0.043501
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118867  -0.064262   0.022281
-    0SOL     H2    2  -0.185759  -0.017287   0.072092
-    0SOL     H3    3  -0.076731  -0.121318   0.086557
-    1SOL     O4    4   0.126029   0.063113  -0.031893
-    1SOL     H5    5   0.047628   0.010791  -0.015219
-    1SOL     H6    6   0.108107   0.147249   0.010086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020835  -0.136562  -0.007550
-    0SOL     H2    2   0.031598  -0.067213  -0.072645
-    0SOL     H3    3   0.049470  -0.216166  -0.052333
-    1SOL     O4    4  -0.017904   0.132513   0.012578
-    1SOL     H5    5  -0.021135   0.198612   0.081735
-    1SOL     H6    6  -0.102254   0.140277  -0.032000
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112140  -0.092792   0.021112
-    0SOL     H2    2   0.084856  -0.168238  -0.031098
-    0SOL     H3    3   0.041191  -0.029406   0.010590
-    1SOL     O4    4  -0.100093   0.091902  -0.017575
-    1SOL     H5    5  -0.158649   0.101487   0.057536
-    1SOL     H6    6  -0.153890   0.115587  -0.093121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002351   0.143194  -0.006284
-    0SOL     H2    2  -0.017347   0.111890   0.082921
-    0SOL     H3    3   0.081500   0.189144  -0.001814
-    1SOL     O4    4  -0.005291  -0.147612   0.005979
-    1SOL     H5    5  -0.032446  -0.071579  -0.045440
-    1SOL     H6    6   0.083146  -0.167176  -0.024981
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082796  -0.116216   0.023862
-    0SOL     H2    2   0.003286  -0.118378  -0.017943
-    0SOL     H3    3  -0.142921  -0.148345  -0.043333
-    1SOL     O4    4   0.085817   0.119069  -0.023101
-    1SOL     H5    5   0.099797   0.142992   0.068521
-    1SOL     H6    6  -0.001060   0.078906  -0.024430
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.148436   0.003317   0.012244
-    0SOL     H2    2  -0.193580   0.073205  -0.035085
-    0SOL     H3    3  -0.057461   0.009494  -0.016872
-    1SOL     O4    4   0.143397  -0.006147  -0.012853
-    1SOL     H5    5   0.117336   0.016582   0.076403
-    1SOL     H6    6   0.222153  -0.059460  -0.002019
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042425  -0.032918  -0.142309
-    0SOL     H2    2  -0.032666  -0.014144  -0.048957
-    0SOL     H3    3   0.045020  -0.019328  -0.178791
-    1SOL     O4    4   0.029947   0.030855   0.137925
-    1SOL     H5    5   0.092477   0.087858   0.093170
-    1SOL     H6    6   0.083602  -0.021731   0.197240
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000394  -0.015363   0.150776
-    0SOL     H2    2   0.049122  -0.014779   0.068389
-    0SOL     H3    3  -0.053018  -0.094680   0.146505
-    1SOL     O4    4   0.003095   0.024404  -0.141195
-    1SOL     H5    5  -0.086971  -0.007899  -0.143830
-    1SOL     H6    6   0.045506  -0.016583  -0.216585
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071917  -0.114847   0.055147
-    0SOL     H2    2   0.121697  -0.039724   0.087407
-    0SOL     H3    3   0.103296  -0.188656   0.107395
-    1SOL     O4    4  -0.078228   0.118974  -0.055499
-    1SOL     H5    5  -0.094308   0.024614  -0.055518
-    1SOL     H6    6  -0.035100   0.135986  -0.139241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009546   0.007232  -0.154091
-    0SOL     H2    2  -0.020820   0.096800  -0.168851
-    0SOL     H3    3   0.020831   0.001042  -0.059240
-    1SOL     O4    4  -0.008136  -0.014963   0.144873
-    1SOL     H5    5  -0.086269  -0.011483   0.200058
-    1SOL     H6    6   0.053407   0.045331   0.186579
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124465   0.061187  -0.074608
-    0SOL     H2    2  -0.056718   0.128256  -0.065983
-    0SOL     H3    3  -0.075990  -0.020715  -0.084831
-    1SOL     O4    4   0.122577  -0.062698   0.072824
-    1SOL     H5    5   0.105530   0.031412   0.076715
-    1SOL     H6    6   0.041563  -0.103068   0.103959
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052324   0.140203  -0.017585
-    0SOL     H2    2  -0.090956   0.062960   0.023687
-    0SOL     H3    3  -0.127391   0.193677  -0.043429
-    1SOL     O4    4   0.057420  -0.133357   0.018415
-    1SOL     H5    5   0.109786  -0.198407   0.065199
-    1SOL     H6    6   0.033005  -0.176564  -0.063435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085439  -0.121361  -0.038444
-    0SOL     H2    2   0.163717  -0.085605   0.003466
-    0SOL     H3    3   0.038392  -0.165497   0.032273
-    1SOL     O4    4  -0.088386   0.127604   0.035592
-    1SOL     H5    5  -0.056352   0.042507   0.065504
-    1SOL     H6    6  -0.097077   0.117990  -0.059246
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.129889   0.091223  -0.008184
-    0SOL     H2    2   0.078848   0.010928   0.002299
-    0SOL     H3    3   0.118091   0.115335  -0.100063
-    1SOL     O4    4  -0.122977  -0.081820   0.014525
-    1SOL     H5    5  -0.152700  -0.109226  -0.072237
-    1SOL     H6    6  -0.147370  -0.154197   0.072221
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.147082  -0.041030  -0.001402
-    0SOL     H2    2   0.147324   0.054015   0.009940
-    0SOL     H3    3   0.221238  -0.058472  -0.059359
-    1SOL     O4    4  -0.155919   0.039444   0.000423
-    1SOL     H5    5  -0.102428   0.080799   0.068179
-    1SOL     H6    6  -0.126511  -0.051634  -0.001107
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130732  -0.065986   0.032316
-    0SOL     H2    2  -0.194582  -0.118002   0.081100
-    0SOL     H3    3  -0.175897  -0.042371  -0.048707
-    1SOL     O4    4   0.141188   0.065867  -0.035437
-    1SOL     H5    5   0.055259   0.031690  -0.010731
-    1SOL     H6    6   0.160884   0.131719   0.031181
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070834   0.134226   0.026713
-    0SOL     H2    2  -0.011049   0.122111   0.074784
-    0SOL     H3    3   0.128321   0.179664   0.088300
-    1SOL     O4    4  -0.065450  -0.133131  -0.038415
-    1SOL     H5    5  -0.158854  -0.153839  -0.035377
-    1SOL     H6    6  -0.032470  -0.158300   0.047847
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079147   0.035658   0.125878
-    0SOL     H2    2  -0.155999   0.007103   0.175282
-    0SOL     H3    3  -0.108165   0.114326   0.079709
-    1SOL     O4    4   0.087291  -0.042312  -0.131461
-    1SOL     H5    5   0.102976   0.051119  -0.117788
-    1SOL     H6    6   0.033662  -0.068830  -0.056742
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136672  -0.023453   0.062383
-    0SOL     H2    2  -0.191070  -0.083237   0.011109
-    0SOL     H3    3  -0.199276   0.031974   0.108976
-    1SOL     O4    4   0.145363   0.023131  -0.068689
-    1SOL     H5    5   0.057629   0.049778  -0.041212
-    1SOL     H6    6   0.191269   0.003787   0.013047
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009134   0.158192   0.023947
-    0SOL     H2    2   0.034958   0.120879  -0.052381
-    0SOL     H3    3   0.058485   0.161210   0.091629
-    1SOL     O4    4   0.003951  -0.158206  -0.028696
-    1SOL     H5    5   0.065406  -0.133915   0.040553
-    1SOL     H6    6  -0.082472  -0.142163   0.009199
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073926  -0.006847  -0.143392
-    0SOL     H2    2   0.021419  -0.044033  -0.214261
-    0SOL     H3    3   0.016268  -0.009205  -0.067022
-    1SOL     O4    4  -0.066988   0.006239   0.137981
-    1SOL     H5    5  -0.093608   0.097850   0.145792
-    1SOL     H6    6  -0.049736  -0.021496   0.227956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119023  -0.112594   0.002806
-    0SOL     H2    2  -0.091743  -0.116576   0.094470
-    0SOL     H3    3  -0.077707  -0.033186  -0.031102
-    1SOL     O4    4   0.112315   0.108240  -0.000139
-    1SOL     H5    5   0.099978   0.052557  -0.077013
-    1SOL     H6    6   0.179674   0.170939  -0.026482
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126743   0.055098  -0.067866
-    0SOL     H2    2  -0.170853   0.099285   0.004688
-    0SOL     H3    3  -0.195931   0.039647  -0.132182
-    1SOL     O4    4   0.133262  -0.062535   0.071167
-    1SOL     H5    5   0.205713  -0.025187   0.020985
-    1SOL     H6    6   0.059246  -0.004549   0.053239
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028913   0.151292   0.067587
-    0SOL     H2    2   0.012659   0.065102   0.069886
-    0SOL     H3    3  -0.119459   0.133590   0.042083
-    1SOL     O4    4   0.031392  -0.139495  -0.062896
-    1SOL     H5    5  -0.031067  -0.170429  -0.128503
-    1SOL     H6    6   0.099037  -0.207172  -0.060372
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104858   0.124259  -0.027117
-    0SOL     H2    2  -0.090721   0.038529   0.013041
-    0SOL     H3    3  -0.185375   0.156680   0.013235
-    1SOL     O4    4   0.101857  -0.119532   0.024822
-    1SOL     H5    5   0.175387  -0.064828  -0.002801
-    1SOL     H6    6   0.136253  -0.208833   0.022690
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111379  -0.096001   0.061157
-    0SOL     H2    2  -0.114929  -0.176309   0.113122
-    0SOL     H3    3  -0.176672  -0.038596   0.101205
-    1SOL     O4    4   0.117770   0.101056  -0.061894
-    1SOL     H5    5   0.026844   0.071385  -0.065677
-    1SOL     H6    6   0.160825   0.055781  -0.134412
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.143375   0.058075   0.059335
-    0SOL     H2    2   0.093048  -0.018875   0.085945
-    0SOL     H3    3   0.134030   0.119282   0.132333
-    1SOL     O4    4  -0.146723  -0.057893  -0.063521
-    1SOL     H5    5  -0.076199  -0.045722   0.000044
-    1SOL     H6    6  -0.101861  -0.068412  -0.147420
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107204   0.098324   0.065911
-    0SOL     H2    2  -0.160445   0.082072   0.143780
-    0SOL     H3    3  -0.082844   0.190669   0.072340
-    1SOL     O4    4   0.114882  -0.104000  -0.067258
-    1SOL     H5    5   0.112374  -0.085678  -0.161175
-    1SOL     H6    6   0.023772  -0.096465  -0.038895
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.164572  -0.045516   0.006613
-    0SOL     H2    2  -0.072397  -0.021369  -0.002504
-    0SOL     H3    3  -0.188702  -0.015458   0.094229
-    1SOL     O4    4   0.155799   0.039484  -0.012785
-    1SOL     H5    5   0.184128   0.053056   0.077634
-    1SOL     H6    6   0.222336   0.083534  -0.065649
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109756  -0.098662   0.078897
-    0SOL     H2    2   0.072660  -0.020652   0.120134
-    0SOL     H3    3   0.082436  -0.170955   0.135374
-    1SOL     O4    4  -0.101130   0.101698  -0.081055
-    1SOL     H5    5  -0.195492   0.113794  -0.091637
-    1SOL     H6    6  -0.079779   0.028135  -0.138455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079079  -0.117443   0.104413
-    0SOL     H2    2   0.154481  -0.058478   0.104789
-    0SOL     H3    3   0.026172  -0.088273   0.030168
-    1SOL     O4    4  -0.076055   0.108484  -0.097091
-    1SOL     H5    5  -0.054289   0.182990  -0.153104
-    1SOL     H6    6  -0.171709   0.105031  -0.097843
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.159142   0.035418   0.037471
-    0SOL     H2    2   0.188599   0.098746   0.102925
-    0SOL     H3    3   0.225507  -0.033538   0.039225
-    1SOL     O4    4  -0.169367  -0.035488  -0.038662
-    1SOL     H5    5  -0.106609  -0.102083  -0.066750
-    1SOL     H6    6  -0.127007   0.047756  -0.059600
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135674  -0.093713   0.042444
-    0SOL     H2    2   0.156029  -0.049895  -0.040188
-    0SOL     H3    3   0.217438  -0.136645   0.067619
-    1SOL     O4    4  -0.141403   0.097641  -0.045013
-    1SOL     H5    5  -0.069507   0.082815   0.016415
-    1SOL     H6    6  -0.213086   0.043775  -0.011512
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046416   0.089525  -0.144479
-    0SOL     H2    2   0.123520   0.046157  -0.107920
-    0SOL     H3    3   0.045206   0.175609  -0.102642
-    1SOL     O4    4  -0.051714  -0.098313   0.138257
-    1SOL     H5    5  -0.113095  -0.026667   0.122086
-    1SOL     H6    6   0.023294  -0.056559   0.180596
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056721  -0.157916  -0.033487
-    0SOL     H2    2   0.119693  -0.159602  -0.105557
-    0SOL     H3    3   0.103505  -0.197237   0.040184
-    1SOL     O4    4  -0.062012   0.166566   0.035017
-    1SOL     H5    5  -0.144684   0.118356   0.036889
-    1SOL     H6    6   0.003445   0.101029   0.010875
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091596  -0.119100  -0.099427
-    0SOL     H2    2  -0.030812  -0.062470  -0.051882
-    0SOL     H3    3  -0.066905  -0.207888  -0.073556
-    1SOL     O4    4   0.081924   0.118965   0.091124
-    1SOL     H5    5   0.091038   0.100712   0.184644
-    1SOL     H6    6   0.155748   0.176318   0.070560
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120775  -0.092128   0.077402
-    0SOL     H2    2   0.132269  -0.185952   0.062327
-    0SOL     H3    3   0.187422  -0.069927   0.142423
-    1SOL     O4    4  -0.124073   0.093881  -0.085021
-    1SOL     H5    5  -0.212507   0.098311  -0.048661
-    1SOL     H6    6  -0.069365   0.138837  -0.020613
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012102   0.144646  -0.116338
-    0SOL     H2    2  -0.002453   0.070568  -0.057491
-    0SOL     H3    3   0.054162   0.210915  -0.061550
-    1SOL     O4    4  -0.014384  -0.138265   0.111173
-    1SOL     H5    5  -0.076681  -0.204595   0.081477
-    1SOL     H6    6   0.063480  -0.187981   0.136229
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127126   0.079867   0.111905
-    0SOL     H2    2  -0.139839   0.064116   0.018349
-    0SOL     H3    3  -0.114539  -0.007290   0.149422
-    1SOL     O4    4   0.125621  -0.071859  -0.103292
-    1SOL     H5    5   0.128208  -0.030883  -0.189759
-    1SOL     H6    6   0.154605  -0.161811  -0.118486
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034667  -0.021865  -0.182148
-    0SOL     H2    2   0.110603  -0.012867  -0.124571
-    0SOL     H3    3   0.005992   0.068024  -0.198274
-    1SOL     O4    4  -0.033162   0.012663   0.175671
-    1SOL     H5    5  -0.013937   0.086846   0.233026
-    1SOL     H6    6  -0.127892   0.000843   0.182660
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018237   0.113876   0.140208
-    0SOL     H2    2  -0.042718   0.201235   0.170728
-    0SOL     H3    3  -0.100831   0.074009   0.112801
-    1SOL     O4    4   0.025175  -0.117680  -0.147057
-    1SOL     H5    5   0.006316  -0.180580  -0.077414
-    1SOL     H6    6   0.042348  -0.035467  -0.101139
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058273   0.021123  -0.177248
-    0SOL     H2    2  -0.126798  -0.044893  -0.166830
-    0SOL     H3    3   0.022075  -0.023176  -0.149970
-    1SOL     O4    4   0.058823  -0.013578   0.169164
-    1SOL     H5    5  -0.027323  -0.033690   0.205725
-    1SOL     H6    6   0.119755  -0.029195   0.241315
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.147445  -0.100263  -0.024011
-    0SOL     H2    2   0.233655  -0.059242  -0.030904
-    0SOL     H3    3   0.158573  -0.186408  -0.064229
-    1SOL     O4    4  -0.153465   0.102931   0.032970
-    1SOL     H5    5  -0.222060   0.117935  -0.032082
-    1SOL     H6    6  -0.074244   0.088114  -0.018671
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134219   0.115284  -0.059096
-    0SOL     H2    2  -0.211146   0.121075  -0.115762
-    0SOL     H3    3  -0.166541   0.074283   0.021131
-    1SOL     O4    4   0.141577  -0.106862   0.059135
-    1SOL     H5    5   0.097313  -0.172215   0.113284
-    1SOL     H6    6   0.163302  -0.153368  -0.021658
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.184527   0.025375  -0.026113
-    0SOL     H2    2  -0.178938   0.105363   0.026166
-    0SOL     H3    3  -0.234979  -0.035259   0.028112
-    1SOL     O4    4   0.181840  -0.023396   0.021954
-    1SOL     H5    5   0.189352  -0.117305   0.005013
-    1SOL     H6    6   0.271147   0.009842   0.012909
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.188405  -0.021850   0.040234
-    0SOL     H2    2   0.156907   0.015066  -0.042273
-    0SOL     H3    3   0.257931  -0.082378   0.014451
-    1SOL     O4    4  -0.188333   0.030093  -0.031800
-    1SOL     H5    5  -0.136395  -0.031245  -0.083785
-    1SOL     H6    6  -0.271330  -0.015247  -0.017034
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059808   0.102889   0.163311
-    0SOL     H2    2   0.141318   0.056858   0.143325
-    0SOL     H3    3  -0.008744   0.047832   0.125473
-    1SOL     O4    4  -0.059088  -0.094585  -0.153970
-    1SOL     H5    5  -0.136881  -0.146231  -0.175023
-    1SOL     H6    6  -0.008083  -0.093916  -0.234966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.188305   0.043553  -0.006198
-    0SOL     H2    2  -0.212169   0.043789  -0.098895
-    0SOL     H3    3  -0.218606   0.128220   0.026600
-    1SOL     O4    4   0.189556  -0.054604   0.009630
-    1SOL     H5    5   0.128516   0.017905   0.023004
-    1SOL     H6    6   0.273651  -0.012295  -0.007701
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148865   0.112235   0.081591
-    0SOL     H2    2   0.076993   0.106278   0.144529
-    0SOL     H3    3   0.105686   0.119794  -0.003501
-    1SOL     O4    4  -0.142662  -0.106374  -0.081430
-    1SOL     H5    5  -0.130258  -0.144694   0.005404
-    1SOL     H6    6  -0.133245  -0.180088  -0.141761
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006155  -0.130436   0.153028
-    0SOL     H2    2  -0.086609  -0.119529   0.203729
-    0SOL     H3    3   0.020800  -0.041198   0.131295
-    1SOL     O4    4   0.012719   0.120335  -0.153859
-    1SOL     H5    5  -0.027610   0.181059  -0.091822
-    1SOL     H6    6  -0.016834   0.150600  -0.239725
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072819   0.151260  -0.110062
-    0SOL     H2    2  -0.034407   0.233776  -0.080432
-    0SOL     H3    3  -0.098936   0.106651  -0.029500
-    1SOL     O4    4   0.069010  -0.158142   0.107556
-    1SOL     H5    5   0.151756  -0.115859   0.130523
-    1SOL     H6    6   0.042878  -0.116672   0.025338
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149446  -0.074049   0.120411
-    0SOL     H2    2   0.139721  -0.020305   0.199019
-    0SOL     H3    3   0.197872  -0.018578   0.059253
-    1SOL     O4    4  -0.148987   0.062626  -0.124037
-    1SOL     H5    5  -0.226693   0.108820  -0.155504
-    1SOL     H6    6  -0.122904   0.110406  -0.045303
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079326   0.083350  -0.173452
-    0SOL     H2    2   0.166686   0.122191  -0.178148
-    0SOL     H3    3   0.062088   0.074312  -0.079732
-    1SOL     O4    4  -0.079420  -0.079126   0.166557
-    1SOL     H5    5  -0.076438  -0.116233   0.254742
-    1SOL     H6    6  -0.138672  -0.136741   0.118267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127201  -0.127591   0.094981
-    0SOL     H2    2   0.133649  -0.081839   0.178811
-    0SOL     H3    3   0.100317  -0.216486   0.118162
-    1SOL     O4    4  -0.132187   0.128621  -0.101481
-    1SOL     H5    5  -0.088283   0.208133  -0.071273
-    1SOL     H6    6  -0.063182   0.062309  -0.103275
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.177729   0.095437  -0.053975
-    0SOL     H2    2   0.192609   0.167365  -0.115353
-    0SOL     H3    3   0.101299   0.049557  -0.088843
-    1SOL     O4    4  -0.170705  -0.096687   0.065332
-    1SOL     H5    5  -0.227533  -0.030613   0.025746
-    1SOL     H6    6  -0.174426  -0.170845   0.004925
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128929   0.128889  -0.103380
-    0SOL     H2    2   0.081501   0.207802  -0.129566
-    0SOL     H3    3   0.149811   0.142973  -0.011034
-    1SOL     O4    4  -0.122818  -0.137311   0.105037
-    1SOL     H5    5  -0.205410  -0.089760   0.113968
-    1SOL     H6    6  -0.107926  -0.142018   0.010600
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.192496   0.025506  -0.075754
-    0SOL     H2    2   0.278464   0.066964  -0.083040
-    0SOL     H3    3   0.210667  -0.061221  -0.039553
-    1SOL     O4    4  -0.200168  -0.027710   0.077004
-    1SOL     H5    5  -0.110385   0.005183   0.081419
-    1SOL     H6    6  -0.245355   0.033578   0.019002
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.175838   0.087802   0.103255
-    0SOL     H2    2  -0.164852   0.026424   0.030630
-    0SOL     H3    3  -0.114597   0.158835   0.084117
-    1SOL     O4    4   0.167641  -0.089963  -0.091966
-    1SOL     H5    5   0.179023  -0.008541  -0.140988
-    1SOL     H6    6   0.220651  -0.154085  -0.139301
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059043  -0.052484  -0.210540
-    0SOL     H2    2   0.034671  -0.033039  -0.209144
-    0SOL     H3    3  -0.097225   0.008891  -0.147790
-    1SOL     O4    4   0.050341   0.045841   0.203101
-    1SOL     H5    5   0.098698  -0.002934   0.269771
-    1SOL     H6    6   0.095359   0.130139   0.197664
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080274  -0.194171   0.044875
-    0SOL     H2    2   0.050372  -0.274284   0.001863
-    0SOL     H3    3   0.175117  -0.204825   0.052191
-    1SOL     O4    4  -0.081598   0.204542  -0.041362
-    1SOL     H5    5  -0.172252   0.175409  -0.051134
-    1SOL     H6    6  -0.029168   0.127153  -0.061963
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.184264   0.066071  -0.119945
-    0SOL     H2    2  -0.211984   0.157684  -0.120919
-    0SOL     H3    3  -0.173378   0.045277  -0.027147
-    1SOL     O4    4   0.187754  -0.073849   0.118726
-    1SOL     H5    5   0.210511   0.016900   0.098499
-    1SOL     H6    6   0.110742  -0.091867   0.064812
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113537  -0.115379   0.172024
-    0SOL     H2    2   0.022520  -0.141122   0.186707
-    0SOL     H3    3   0.108367  -0.024174   0.143438
-    1SOL     O4    4  -0.107104   0.117613  -0.171355
-    1SOL     H5    5  -0.160378   0.077632  -0.102611
-    1SOL     H6    6  -0.090067   0.046389  -0.232992
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.115330  -0.096664  -0.175004
-    0SOL     H2    2   0.048278  -0.149456  -0.218356
-    0SOL     H3    3   0.146459  -0.036878  -0.242966
-    1SOL     O4    4  -0.111035   0.097602   0.186985
-    1SOL     H5    5  -0.074065   0.122802   0.102366
-    1SOL     H6    6  -0.190165   0.048467   0.164928
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.166746  -0.014630  -0.176537
-    0SOL     H2    2   0.090580   0.042435  -0.166311
-    0SOL     H3    3   0.168402  -0.067027  -0.096449
-    1SOL     O4    4  -0.162460   0.017196   0.165271
-    1SOL     H5    5  -0.096934   0.021468   0.234916
-    1SOL     H6    6  -0.234232  -0.033719   0.202937
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.093256   0.112841   0.199546
-    0SOL     H2    2   0.101991   0.141609   0.108670
-    0SOL     H3    3   0.008762   0.147848   0.227785
-    1SOL     O4    4  -0.087303  -0.114612  -0.202053
-    1SOL     H5    5  -0.159446  -0.078002  -0.150893
-    1SOL     H6    6  -0.048990  -0.181372  -0.145153
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126237   0.079621  -0.193874
-    0SOL     H2    2  -0.200281   0.045446  -0.243994
-    0SOL     H3    3  -0.158615   0.085130  -0.103965
-    1SOL     O4    4   0.135705  -0.080188   0.187603
-    1SOL     H5    5   0.160977  -0.049503   0.274678
-    1SOL     H6    6   0.040740  -0.068550   0.184683
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030153   0.214974  -0.114096
-    0SOL     H2    2   0.020639   0.207304  -0.033326
-    0SOL     H3    3  -0.010779   0.302984  -0.146363
-    1SOL     O4    4   0.025172  -0.217593   0.105557
-    1SOL     H5    5  -0.034980  -0.220162   0.179971
-    1SOL     H6    6   0.108651  -0.248079   0.141114
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.186622   0.065462  -0.158087
-    0SOL     H2    2  -0.152575  -0.003080  -0.215578
-    0SOL     H3    3  -0.267648   0.094090  -0.200248
-    1SOL     O4    4   0.189272  -0.067220   0.168901
-    1SOL     H5    5   0.111157  -0.030837   0.127227
-    1SOL     H6    6   0.262164  -0.033526   0.116806
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.141947  -0.174187  -0.129170
-    0SOL     H2    2  -0.090310  -0.144932  -0.204271
-    0SOL     H3    3  -0.181972  -0.256201  -0.158050
-    1SOL     O4    4   0.140328   0.181652   0.139582
-    1SOL     H5    5   0.192524   0.187119   0.059531
-    1SOL     H6    6   0.101488   0.094204   0.136981
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.219714  -0.118056  -0.103023
-    0SOL     H2    2  -0.197011  -0.094146  -0.013161
-    0SOL     H3    3  -0.306993  -0.156767  -0.096236
-    1SOL     O4    4   0.226423   0.121387   0.092166
-    1SOL     H5    5   0.215185   0.158694   0.179598
-    1SOL     H6    6   0.181799   0.036804   0.096248
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.260068  -0.046331   0.078993
-    0SOL     H2    2   0.336045  -0.060427   0.135482
-    0SOL     H3    3   0.247981  -0.129815   0.033752
-    1SOL     O4    4  -0.266291   0.055024  -0.085339
-    1SOL     H5    5  -0.232658   0.100009  -0.007830
-    1SOL     H6    6  -0.263668  -0.037826  -0.062225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.279042  -0.033933   0.018274
-    0SOL     H2    2  -0.304349   0.038203   0.075878
-    0SOL     H3    3  -0.349522  -0.098014   0.027678
-    1SOL     O4    4   0.287861   0.035839  -0.025689
-    1SOL     H5    5   0.208844  -0.014452  -0.045424
-    1SOL     H6    6   0.288286   0.043405   0.069730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017525  -0.120868   0.264374
-    0SOL     H2    2  -0.016906  -0.025406   0.257385
-    0SOL     H3    3   0.049457  -0.140572   0.329853
-    1SOL     O4    4   0.014531   0.121825  -0.265937
-    1SOL     H5    5   0.065178   0.042772  -0.247285
-    1SOL     H6    6  -0.056342   0.092024  -0.322956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003179  -0.140036   0.263159
-    0SOL     H2    2  -0.084148  -0.139116   0.302344
-    0SOL     H3    3   0.004237  -0.218777   0.208744
-    1SOL     O4    4   0.000602   0.149139  -0.257611
-    1SOL     H5    5   0.062520   0.076800  -0.247834
-    1SOL     H6    6  -0.037413   0.136605  -0.344560
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009585  -0.164564   0.251663
-    0SOL     H2    2  -0.063602  -0.085906   0.244083
-    0SOL     H3    3   0.064064  -0.137889   0.306676
-    1SOL     O4    4   0.006711   0.151940  -0.253539
-    1SOL     H5    5  -0.025513   0.215024  -0.317916
-    1SOL     H6    6   0.069728   0.201287  -0.201042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037047  -0.067756  -0.294612
-    0SOL     H2    2  -0.021657  -0.005198  -0.337069
-    0SOL     H3    3   0.086592  -0.106834  -0.366589
-    1SOL     O4    4  -0.032079   0.062094   0.304788
-    1SOL     H5    5  -0.017290   0.107911   0.222058
-    1SOL     H6    6  -0.120980   0.086740   0.330312
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.194050   0.189967   0.172344
-    0SOL     H2    2  -0.202217   0.221049   0.262507
-    0SOL     H3    3  -0.246871   0.110188   0.169583
-    1SOL     O4    4   0.203801  -0.186520  -0.176110
-    1SOL     H5    5   0.143437  -0.238797  -0.123331
-    1SOL     H6    6   0.148619  -0.147007  -0.243608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113441   0.258334   0.163775
-    0SOL     H2    2   0.206999   0.266372   0.182339
-    0SOL     H3    3   0.082237   0.348652   0.158181
-    1SOL     O4    4  -0.120391  -0.263534  -0.169889
-    1SOL     H5    5  -0.051222  -0.325902  -0.147794
-    1SOL     H6    6  -0.128805  -0.208460  -0.092053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140271  -0.269038  -0.146183
-    0SOL     H2    2  -0.190679  -0.348885  -0.130507
-    0SOL     H3    3  -0.146015  -0.255203  -0.240724
-    1SOL     O4    4   0.148715   0.271990   0.153771
-    1SOL     H5    5   0.140277   0.299713   0.062543
-    1SOL     H6    6   0.059124   0.252628   0.181354
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.329053  -0.008535  -0.139253
-    0SOL     H2    2  -0.312796  -0.102578  -0.131912
-    0SOL     H3    3  -0.267145   0.021396  -0.205840
-    1SOL     O4    4   0.323913   0.013994   0.148924
-    1SOL     H5    5   0.381727   0.044912   0.079182
-    1SOL     H6    6   0.278127  -0.060879   0.110714
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.253212  -0.167324   0.183388
-    0SOL     H2    2   0.164181  -0.195475   0.204443
-    0SOL     H3    3   0.300383  -0.172744   0.266502
-    1SOL     O4    4  -0.245613   0.170104  -0.188933
-    1SOL     H5    5  -0.302107   0.202541  -0.259066
-    1SOL     H6    6  -0.303528   0.117364  -0.133918
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.219161  -0.270887  -0.102008
-    0SOL     H2    2  -0.238030  -0.195772  -0.158258
-    0SOL     H3    3  -0.225620  -0.236400  -0.012950
-    1SOL     O4    4   0.221011   0.258283   0.096840
-    1SOL     H5    5   0.160301   0.328850   0.074548
-    1SOL     H6    6   0.273574   0.293623   0.168607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.177809   0.332102  -0.229599
-    0SOL     H2    2   0.217478   0.301282  -0.311078
-    0SOL     H3    3   0.203981   0.423967  -0.223412
-    1SOL     O4    4  -0.182650  -0.333433   0.228354
-    1SOL     H5    5  -0.205174  -0.419942   0.262578
-    1SOL     H6    6  -0.139261  -0.289291   0.301368
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.355153   0.286843  -0.148307
-    0SOL     H2    2   0.320061   0.357798  -0.094490
-    0SOL     H3    3   0.444054   0.314905  -0.170020
-    1SOL     O4    4  -0.359435  -0.289902   0.152547
-    1SOL     H5    5  -0.347416  -0.381649   0.128044
-    1SOL     H6    6  -0.353596  -0.242019   0.069870
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.265785  -0.061190  -0.417911
-    0SOL     H2    2  -0.213157   0.007190  -0.459345
-    0SOL     H3    3  -0.310594  -0.104368  -0.490644
-    1SOL     O4    4   0.260644   0.055773   0.426279
-    1SOL     H5    5   0.252715   0.144658   0.391654
-    1SOL     H6    6   0.354918   0.039440   0.429107
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017087  -0.115134   0.043649
-    0SOL     H2    2  -0.068957  -0.097101   0.122050
-    0SOL     H3    3   0.045112  -0.182552   0.071006
-    1SOL     O4    4   0.009413   0.121168  -0.049833
-    1SOL     H5    5   0.089873   0.168952  -0.069961
-    1SOL     H6    6   0.038768   0.032516  -0.028823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072037  -0.071491   0.076273
-    0SOL     H2    2   0.159168  -0.076332   0.036939
-    0SOL     H3    3   0.042168  -0.162367   0.079695
-    1SOL     O4    4  -0.081108   0.079660  -0.073750
-    1SOL     H5    5  -0.026420   0.044043  -0.003728
-    1SOL     H6    6  -0.030840   0.064130  -0.153714
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063685  -0.119956  -0.014803
-    0SOL     H2    2   0.044717  -0.143435  -0.105639
-    0SOL     H3    3   0.000414  -0.051185   0.005924
-    1SOL     O4    4  -0.063900   0.112795   0.016484
-    1SOL     H5    5  -0.026517   0.119309   0.104361
-    1SOL     H6    6  -0.020699   0.182286  -0.033186
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057139  -0.050198   0.106471
-    0SOL     H2    2   0.151688  -0.036228   0.101204
-    0SOL     H3    3   0.031830  -0.011702   0.190375
-    1SOL     O4    4  -0.065337   0.045284  -0.115277
-    1SOL     H5    5  -0.022890   0.130905  -0.109838
-    1SOL     H6    6  -0.026798  -0.005200  -0.043664
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021307  -0.112257   0.065981
-    0SOL     H2    2  -0.056387  -0.148334   0.023267
-    0SOL     H3    3   0.051763  -0.182375   0.123586
-    1SOL     O4    4  -0.017856   0.121020  -0.072112
-    1SOL     H5    5   0.023216   0.039929  -0.042118
-    1SOL     H6    6  -0.080312   0.143254  -0.003067
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015175   0.087496   0.106246
-    0SOL     H2    2   0.066694   0.136869   0.110954
-    0SOL     H3    3  -0.078649   0.141758   0.153032
-    1SOL     O4    4   0.014380  -0.093826  -0.115077
-    1SOL     H5    5  -0.037857  -0.024185  -0.075281
-    1SOL     H6    6   0.063209  -0.131900  -0.042081
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021066   0.140073   0.053336
-    0SOL     H2    2   0.009282   0.065516  -0.005526
-    0SOL     H3    3  -0.032980   0.119257   0.129547
-    1SOL     O4    4  -0.018110  -0.127008  -0.051874
-    1SOL     H5    5  -0.011962  -0.206747   0.000721
-    1SOL     H6    6  -0.006369  -0.156795  -0.142081
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031744   0.126744   0.070864
-    0SOL     H2    2   0.015258   0.086574   0.156170
-    0SOL     H3    3  -0.041180   0.097618   0.016128
-    1SOL     O4    4  -0.029093  -0.125705  -0.078146
-    1SOL     H5    5   0.058329  -0.129313  -0.039329
-    1SOL     H6    6  -0.081763  -0.077700  -0.014241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058620   0.004390  -0.140392
-    0SOL     H2    2  -0.060640   0.005479  -0.044699
-    0SOL     H3    3   0.029019   0.035612  -0.162903
-    1SOL     O4    4   0.057583  -0.004730   0.132240
-    1SOL     H5    5   0.013537   0.048514   0.198478
-    1SOL     H6    6   0.020448  -0.092266   0.143230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110103   0.055835   0.069274
-    0SOL     H2    2  -0.184644   0.078606   0.124838
-    0SOL     H3    3  -0.111459   0.121173  -0.000664
-    1SOL     O4    4   0.114604  -0.060270  -0.074761
-    1SOL     H5    5   0.040245  -0.048440  -0.015658
-    1SOL     H6    6   0.186468  -0.087600  -0.017745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080761   0.016846  -0.124104
-    0SOL     H2    2   0.046542   0.070880  -0.052889
-    0SOL     H3    3   0.077326   0.073623  -0.201091
-    1SOL     O4    4  -0.079676  -0.018585   0.120211
-    1SOL     H5    5  -0.139675  -0.055794   0.184849
-    1SOL     H6    6   0.001882  -0.067187   0.132399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074066  -0.130801   0.001715
-    0SOL     H2    2   0.090972  -0.039116  -0.019970
-    0SOL     H3    3   0.153313  -0.159780   0.046909
-    1SOL     O4    4  -0.080963   0.125395  -0.009205
-    1SOL     H5    5  -0.079480   0.215953   0.021767
-    1SOL     H6    6  -0.055616   0.073506   0.067133
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037806  -0.090875   0.111969
-    0SOL     H2    2   0.049157  -0.179379   0.077319
-    0SOL     H3    3  -0.033448  -0.098885   0.175380
-    1SOL     O4    4  -0.036486   0.102794  -0.113714
-    1SOL     H5    5  -0.001090   0.054280  -0.188251
-    1SOL     H6    6  -0.032184   0.041070  -0.040679
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045426   0.102610   0.111886
-    0SOL     H2    2  -0.019623   0.106391   0.041767
-    0SOL     H3    3   0.129130   0.092934   0.066473
-    1SOL     O4    4  -0.041533  -0.107505  -0.103936
-    1SOL     H5    5  -0.118124  -0.080112  -0.053480
-    1SOL     H6    6  -0.040277  -0.048725  -0.179471
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079535   0.125403  -0.054858
-    0SOL     H2    2  -0.004337   0.164699  -0.010547
-    0SOL     H3    3  -0.120887   0.070737   0.011956
-    1SOL     O4    4   0.082024  -0.127442   0.043942
-    1SOL     H5    5   0.036495  -0.171904   0.115444
-    1SOL     H6    6   0.059867  -0.035003   0.055187
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074054  -0.100430  -0.087767
-    0SOL     H2    2   0.068725  -0.155403  -0.009588
-    0SOL     H3    3   0.041330  -0.156031  -0.158478
-    1SOL     O4    4  -0.075511   0.103203   0.089161
-    1SOL     H5    5  -0.070820   0.195864   0.112703
-    1SOL     H6    6  -0.007386   0.091799   0.022895
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025079   0.070456  -0.131302
-    0SOL     H2    2   0.006150   0.085821  -0.223865
-    0SOL     H3    3   0.109693   0.025703  -0.131217
-    1SOL     O4    4  -0.025147  -0.071783   0.140572
-    1SOL     H5    5  -0.120836  -0.073955   0.139438
-    1SOL     H6    6  -0.001812  -0.007343   0.073749
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006999   0.129812  -0.080317
-    0SOL     H2    2  -0.056264   0.196637  -0.127958
-    0SOL     H3    3   0.069030   0.112017  -0.135680
-    1SOL     O4    4   0.002365  -0.133975   0.081111
-    1SOL     H5    5   0.061549  -0.190152   0.131148
-    1SOL     H6    6   0.003440  -0.050399   0.127760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.158093   0.051806  -0.015428
-    0SOL     H2    2  -0.138007  -0.014622   0.050498
-    0SOL     H3    3  -0.089822   0.041271  -0.081688
-    1SOL     O4    4   0.147971  -0.048451   0.019559
-    1SOL     H5    5   0.155569  -0.071282  -0.073088
-    1SOL     H6    6   0.225582   0.004571   0.037653
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050319  -0.083018   0.129642
-    0SOL     H2    2  -0.071680  -0.041095   0.046284
-    0SOL     H3    3  -0.106710  -0.160301   0.132782
-    1SOL     O4    4   0.049711   0.084610  -0.129918
-    1SOL     H5    5   0.064152   0.148602  -0.060213
-    1SOL     H6    6   0.119972   0.020587  -0.118655
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019284  -0.154825  -0.057076
-    0SOL     H2    2  -0.000952  -0.078310  -0.002564
-    0SOL     H3    3  -0.081367  -0.123209  -0.122715
-    1SOL     O4    4   0.016216   0.144598   0.056827
-    1SOL     H5    5   0.027643   0.239633   0.057224
-    1SOL     H6    6   0.103010   0.109905   0.077455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036415  -0.158641   0.036781
-    0SOL     H2    2   0.101217  -0.143984   0.105688
-    0SOL     H3    3  -0.013346  -0.076965   0.032868
-    1SOL     O4    4  -0.031457   0.151443  -0.041754
-    1SOL     H5    5  -0.103780   0.151859  -0.104457
-    1SOL     H6    6  -0.071094   0.179346   0.040785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018374  -0.146454  -0.060202
-    0SOL     H2    2  -0.087629  -0.210615  -0.044413
-    0SOL     H3    3   0.057010  -0.180095  -0.011747
-    1SOL     O4    4   0.016515   0.156999   0.052734
-    1SOL     H5    5  -0.028538   0.072664   0.057219
-    1SOL     H6    6   0.086906   0.150062   0.117226
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.154912   0.020039   0.058506
-    0SOL     H2    2  -0.073165   0.051263   0.019714
-    0SOL     H3    3  -0.219731   0.029448  -0.011296
-    1SOL     O4    4   0.148223  -0.022196  -0.055231
-    1SOL     H5    5   0.194126   0.052382  -0.016589
-    1SOL     H6    6   0.208421  -0.095789  -0.044154
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.150975  -0.057349   0.002908
-    0SOL     H2    2   0.226012  -0.109134  -0.026248
-    0SOL     H3    3   0.134334   0.003454  -0.069123
-    1SOL     O4    4  -0.153696   0.062922   0.001448
-    1SOL     H5    5  -0.228298   0.005081  -0.014407
-    1SOL     H6    6  -0.089638   0.007721   0.046301
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041097   0.153403  -0.012365
-    0SOL     H2    2   0.063414   0.231137   0.038836
-    0SOL     H3    3   0.046493   0.182302  -0.103458
-    1SOL     O4    4  -0.048095  -0.157862   0.016830
-    1SOL     H5    5   0.010446  -0.100174  -0.032236
-    1SOL     H6    6  -0.001619  -0.241446   0.020827
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139435   0.000468   0.102953
-    0SOL     H2    2   0.087328  -0.073306   0.134649
-    0SOL     H3    3   0.143116  -0.011751   0.008088
-    1SOL     O4    4  -0.139399  -0.000657  -0.102531
-    1SOL     H5    5  -0.093777  -0.002330  -0.018399
-    1SOL     H6    6  -0.141009   0.091837  -0.127123
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062343  -0.144839   0.048483
-    0SOL     H2    2  -0.074743  -0.112500   0.137717
-    0SOL     H3    3  -0.130641  -0.210949   0.037208
-    1SOL     O4    4   0.064586   0.149986  -0.047635
-    1SOL     H5    5   0.055268   0.056251  -0.064642
-    1SOL     H6    6   0.112339   0.183514  -0.123516
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112744  -0.113190   0.064577
-    0SOL     H2    2   0.093048  -0.054553  -0.008471
-    0SOL     H3    3   0.204390  -0.137630   0.051696
-    1SOL     O4    4  -0.115238   0.107572  -0.053959
-    1SOL     H5    5  -0.204063   0.115735  -0.088684
-    1SOL     H6    6  -0.061316   0.159625  -0.113500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123455   0.005619   0.125125
-    0SOL     H2    2  -0.120998   0.091886   0.166528
-    0SOL     H3    3  -0.031645  -0.020822   0.119284
-    1SOL     O4    4   0.113404  -0.006349  -0.125249
-    1SOL     H5    5   0.119020  -0.095788  -0.158887
-    1SOL     H6    6   0.203171   0.026599  -0.129578
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149626  -0.104137  -0.023848
-    0SOL     H2    2   0.091889  -0.030233  -0.004691
-    0SOL     H3    3   0.090251  -0.177645  -0.039126
-    1SOL     O4    4  -0.137817   0.105284   0.022190
-    1SOL     H5    5  -0.214933   0.098330  -0.034086
-    1SOL     H6    6  -0.170967   0.088841   0.110468
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113014  -0.132951   0.034660
-    0SOL     H2    2   0.177045  -0.175185   0.091920
-    0SOL     H3    3   0.031627  -0.133651   0.085038
-    1SOL     O4    4  -0.109596   0.130477  -0.036558
-    1SOL     H5    5  -0.177195   0.195948  -0.019056
-    1SOL     H6    6  -0.081960   0.147973  -0.126516
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099633  -0.080438   0.133324
-    0SOL     H2    2   0.161131  -0.048148   0.199186
-    0SOL     H3    3   0.111664  -0.021930   0.058529
-    1SOL     O4    4  -0.097797   0.072207  -0.132836
-    1SOL     H5    5  -0.119697   0.157128  -0.094482
-    1SOL     H6    6  -0.179086   0.042738  -0.173896
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050036   0.049298   0.166297
-    0SOL     H2    2  -0.105740  -0.028222   0.159221
-    0SOL     H3    3  -0.095444   0.105859   0.228757
-    1SOL     O4    4   0.057487  -0.042014  -0.169267
-    1SOL     H5    5   0.069345  -0.105287  -0.240106
-    1SOL     H6    6   0.010554  -0.090506  -0.101383
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-    6
-    0SOL     O1    1  -0.023366  -0.183279   0.010614
-    0SOL     H2    2  -0.017863  -0.132095  -0.070084
-    0SOL     H3    3  -0.077764  -0.258601  -0.012403
-    1SOL     O4    4   0.022743   0.178749  -0.006631
-    1SOL     H5    5  -0.006603   0.240676   0.060198
-    1SOL     H6    6   0.101018   0.219159  -0.044078
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.114185   0.050855   0.137748
-    0SOL     H2    2  -0.039493   0.032934   0.194864
-    0SOL     H3    3  -0.133230   0.143641   0.151547
-    1SOL     O4    4   0.116629  -0.058402  -0.143265
-    1SOL     H5    5   0.090790   0.031386  -0.164068
-    1SOL     H6    6   0.044548  -0.092454  -0.090283
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068755   0.067510  -0.162965
-    0SOL     H2    2   0.117804   0.145480  -0.188987
-    0SOL     H3    3   0.027117   0.091837  -0.080280
-    1SOL     O4    4  -0.069101  -0.069086   0.163494
-    1SOL     H5    5  -0.060552  -0.062403   0.068391
-    1SOL     H6    6  -0.076628  -0.163006   0.180371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039466   0.185341  -0.032194
-    0SOL     H2    2   0.005713   0.208675  -0.113291
-    0SOL     H3    3   0.030622   0.160124   0.027923
-    1SOL     O4    4   0.037541  -0.184240   0.028174
-    1SOL     H5    5   0.063015  -0.235766   0.104715
-    1SOL     H6    6  -0.050667  -0.153105   0.048479
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104463  -0.153908   0.007239
-    0SOL     H2    2   0.088607  -0.246385  -0.011705
-    0SOL     H3    3   0.197145  -0.149786   0.030806
-    1SOL     O4    4  -0.105690   0.157947  -0.002133
-    1SOL     H5    5  -0.187615   0.116337  -0.028949
-    1SOL     H6    6  -0.077007   0.206519  -0.079467
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007926   0.180712   0.067321
-    0SOL     H2    2   0.022297   0.214067   0.151798
-    0SOL     H3    3  -0.020970   0.086996   0.081799
-    1SOL     O4    4   0.006054  -0.179421  -0.065175
-    1SOL     H5    5   0.059006  -0.108936  -0.102462
-    1SOL     H6    6  -0.032976  -0.222823  -0.141039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106895  -0.076915   0.146091
-    0SOL     H2    2  -0.030933  -0.088103   0.203247
-    0SOL     H3    3  -0.075307  -0.101422   0.059120
-    1SOL     O4    4   0.099987   0.084320  -0.141135
-    1SOL     H5    5   0.179703   0.031375  -0.139015
-    1SOL     H6    6   0.041723   0.037586  -0.200998
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002473   0.034100   0.187742
-    0SOL     H2    2   0.091936   0.018681   0.191154
-    0SOL     H3    3  -0.040434  -0.038348   0.237467
-    1SOL     O4    4  -0.002076  -0.031012  -0.196611
-    1SOL     H5    5  -0.061380  -0.022468  -0.121962
-    1SOL     H6    6   0.082046   0.001205  -0.164241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.165194  -0.111946  -0.037204
-    0SOL     H2    2  -0.166519  -0.031914   0.015289
-    0SOL     H3    3  -0.073229  -0.138475  -0.038196
-    1SOL     O4    4   0.159194   0.113997   0.038435
-    1SOL     H5    5   0.198605   0.029051   0.058268
-    1SOL     H6    6   0.140164   0.110324  -0.055303
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.090450   0.108623   0.141594
-    0SOL     H2    2  -0.003316   0.143134   0.161060
-    0SOL     H3    3  -0.106899   0.134703   0.050977
-    1SOL     O4    4   0.089201  -0.114809  -0.144424
-    1SOL     H5    5   0.144095  -0.086331  -0.071363
-    1SOL     H6    6   0.000209  -0.091277  -0.118175
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.144425   0.033380  -0.125551
-    0SOL     H2    2  -0.122908   0.096332  -0.194373
-    0SOL     H3    3  -0.156470  -0.049555  -0.171801
-    1SOL     O4    4   0.144015  -0.034966   0.126595
-    1SOL     H5    5   0.134072   0.058633   0.143994
-    1SOL     H6    6   0.150120  -0.074984   0.213334
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.150447   0.132388  -0.043112
-    0SOL     H2    2  -0.184563   0.177170   0.034302
-    0SOL     H3    3  -0.055628   0.130843  -0.030105
-    1SOL     O4    4   0.151281  -0.130977   0.037622
-    1SOL     H5    5   0.147018  -0.205934   0.096998
-    1SOL     H6    6   0.072174  -0.138143  -0.015792
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.156816   0.053342   0.119440
-    0SOL     H2    2   0.161974   0.112535   0.194486
-    0SOL     H3    3   0.097174   0.096917   0.058559
-    1SOL     O4    4  -0.152701  -0.058080  -0.126806
-    1SOL     H5    5  -0.103649  -0.023432  -0.052269
-    1SOL     H6    6  -0.221300  -0.111983  -0.087424
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125876  -0.160640  -0.047868
-    0SOL     H2    2   0.069082  -0.083622  -0.050078
-    0SOL     H3    3   0.077096  -0.227806  -0.095529
-    1SOL     O4    4  -0.120231   0.163208   0.044711
-    1SOL     H5    5  -0.172702   0.093698   0.084429
-    1SOL     H6    6  -0.056701   0.186904   0.112274
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006607  -0.070606   0.194522
-    0SOL     H2    2  -0.022001  -0.075800   0.288853
-    0SOL     H3    3  -0.088977  -0.037700   0.158540
-    1SOL     O4    4   0.017054   0.067402  -0.194844
-    1SOL     H5    5  -0.008063   0.036056  -0.281729
-    1SOL     H6    6  -0.051365   0.130037  -0.171224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067399  -0.182384  -0.063993
-    0SOL     H2    2   0.101951  -0.223776  -0.143083
-    0SOL     H3    3   0.107230  -0.231256   0.008030
-    1SOL     O4    4  -0.068056   0.191177   0.060438
-    1SOL     H5    5  -0.048984   0.100554   0.084646
-    1SOL     H6    6  -0.146976   0.213142   0.109951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070161  -0.180325  -0.089483
-    0SOL     H2    2  -0.015117  -0.181866  -0.046037
-    0SOL     H3    3   0.130642  -0.216915  -0.024941
-    1SOL     O4    4  -0.066753   0.182461   0.078056
-    1SOL     H5    5  -0.122609   0.242582   0.127330
-    1SOL     H6    6  -0.047245   0.111866   0.139684
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101030  -0.085135  -0.172977
-    0SOL     H2    2   0.058627  -0.004973  -0.142346
-    0SOL     H3    3   0.182256  -0.090084  -0.122578
-    1SOL     O4    4  -0.099143   0.084793   0.163383
-    1SOL     H5    5  -0.152578   0.122165   0.233457
-    1SOL     H6    6  -0.108993  -0.009871   0.173575
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126612   0.082337  -0.160406
-    0SOL     H2    2   0.199197   0.124073  -0.114018
-    0SOL     H3    3   0.089095   0.021635  -0.096608
-    1SOL     O4    4  -0.132935  -0.083702   0.150862
-    1SOL     H5    5  -0.057628  -0.123781   0.194277
-    1SOL     H6    6  -0.121499   0.010292   0.164886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043209  -0.177962   0.118258
-    0SOL     H2    2  -0.057662  -0.136072   0.203103
-    0SOL     H3    3   0.051798  -0.188008   0.112327
-    1SOL     O4    4   0.034202   0.176643  -0.127928
-    1SOL     H5    5   0.031203   0.204074  -0.036272
-    1SOL     H6    6   0.121045   0.137808  -0.138527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146793   0.062541   0.156357
-    0SOL     H2    2  -0.076034   0.099105   0.209446
-    0SOL     H3    3  -0.117209   0.073651   0.066004
-    1SOL     O4    4   0.140358  -0.066753  -0.148384
-    1SOL     H5    5   0.171950  -0.123755  -0.218491
-    1SOL     H6    6   0.129977   0.018864  -0.189909
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.186261  -0.107379  -0.055823
-    0SOL     H2    2  -0.155105  -0.195086  -0.033483
-    0SOL     H3    3  -0.154323  -0.092512  -0.144824
-    1SOL     O4    4   0.183526   0.108690   0.053439
-    1SOL     H5    5   0.169400   0.203180   0.059292
-    1SOL     H6    6   0.181911   0.078511   0.144263
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078564   0.174910   0.121816
-    0SOL     H2    2  -0.038324   0.088062   0.121103
-    0SOL     H3    3  -0.022089   0.227060   0.178854
-    1SOL     O4    4   0.065580  -0.171700  -0.125169
-    1SOL     H5    5   0.108395  -0.256738  -0.135047
-    1SOL     H6    6   0.137716  -0.109087  -0.118978
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076244  -0.134400  -0.180719
-    0SOL     H2    2  -0.000835  -0.101833  -0.229864
-    0SOL     H3    3  -0.147378  -0.074519  -0.203445
-    1SOL     O4    4   0.079537   0.126874   0.190519
-    1SOL     H5    5   0.107094   0.130423   0.098920
-    1SOL     H6    6  -0.006920   0.167948   0.191179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028621   0.221244  -0.092907
-    0SOL     H2    2   0.041950   0.251777  -0.149915
-    0SOL     H3    3  -0.108867   0.242505  -0.140561
-    1SOL     O4    4   0.028957  -0.229659   0.095486
-    1SOL     H5    5  -0.034721  -0.205142   0.162615
-    1SOL     H6    6   0.094427  -0.159872   0.097882
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.226474  -0.102911   0.021427
-    0SOL     H2    2  -0.183976  -0.185440   0.044775
-    0SOL     H3    3  -0.199431  -0.041770   0.089931
-    1SOL     O4    4   0.216984   0.107188  -0.024405
-    1SOL     H5    5   0.296142   0.145382  -0.062319
-    1SOL     H6    6   0.238455   0.014717  -0.012144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127222  -0.098960  -0.189453
-    0SOL     H2    2   0.057714  -0.097742  -0.123655
-    0SOL     H3    3   0.103561  -0.170872  -0.248029
-    1SOL     O4    4  -0.126416   0.097632   0.188924
-    1SOL     H5    5  -0.112356   0.161760   0.258582
-    1SOL     H6    6  -0.066947   0.124739   0.118988
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.235017   0.074595  -0.068081
-    0SOL     H2    2   0.186248   0.064036  -0.149766
-    0SOL     H3    3   0.176666   0.125358  -0.011684
-    1SOL     O4    4  -0.224672  -0.079823   0.065570
-    1SOL     H5    5  -0.212853  -0.023578   0.142114
-    1SOL     H6    6  -0.319519  -0.084241   0.053450
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135204   0.206367   0.008656
-    0SOL     H2    2  -0.212559   0.258986  -0.011588
-    0SOL     H3    3  -0.091188   0.254399   0.078783
-    1SOL     O4    4   0.137477  -0.216126  -0.015969
-    1SOL     H5    5   0.086344  -0.135353  -0.011138
-    1SOL     H6    6   0.185277  -0.219263   0.066903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.206200   0.061816  -0.127713
-    0SOL     H2    2   0.268004   0.037524  -0.058775
-    0SOL     H3    3   0.216895   0.156454  -0.137276
-    1SOL     O4    4  -0.211185  -0.063462   0.117473
-    1SOL     H5    5  -0.133477  -0.066305   0.173292
-    1SOL     H6    6  -0.280047  -0.104066   0.170119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.254296   0.033449  -0.036709
-    0SOL     H2    2   0.219282  -0.027601   0.028170
-    0SOL     H3    3   0.214995   0.117728  -0.014021
-    1SOL     O4    4  -0.252258  -0.031388   0.026723
-    1SOL     H5    5  -0.258419  -0.016061   0.121006
-    1SOL     H6    6  -0.201139  -0.111925   0.018791
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088906   0.118914  -0.228080
-    0SOL     H2    2  -0.058131   0.175785  -0.298656
-    0SOL     H3    3  -0.080157   0.172019  -0.148924
-    1SOL     O4    4   0.086033  -0.119716   0.224155
-    1SOL     H5    5   0.020830  -0.157409   0.283232
-    1SOL     H6    6   0.159523  -0.180967   0.227302
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126077   0.241924   0.061733
-    0SOL     H2    2   0.031173   0.229795   0.058839
-    0SOL     H3    3   0.157665   0.170848   0.117525
-    1SOL     O4    4  -0.127962  -0.234319  -0.061114
-    1SOL     H5    5  -0.123591  -0.264797  -0.151747
-    1SOL     H6    6  -0.043543  -0.259053  -0.023380
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034641   0.272034  -0.046538
-    0SOL     H2    2  -0.019027   0.235716   0.040637
-    0SOL     H3    3   0.051909   0.299239  -0.077056
-    1SOL     O4    4   0.034486  -0.275422   0.040685
-    1SOL     H5    5  -0.055307  -0.264925   0.009232
-    1SOL     H6    6   0.041579  -0.214183   0.113910
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.205523  -0.010507  -0.183402
-    0SOL     H2    2   0.273704   0.002967  -0.249221
-    0SOL     H3    3   0.253274  -0.020091  -0.100999
-    1SOL     O4    4  -0.216311   0.008381   0.178864
-    1SOL     H5    5  -0.207612   0.091869   0.224867
-    1SOL     H6    6  -0.137157  -0.040177   0.202086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124447  -0.190959   0.184293
-    0SOL     H2    2  -0.059010  -0.127643   0.154775
-    0SOL     H3    3  -0.099903  -0.272760   0.141066
-    1SOL     O4    4   0.115784   0.188392  -0.183781
-    1SOL     H5    5   0.091145   0.254594  -0.119186
-    1SOL     H6    6   0.211477   0.190404  -0.184904
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.271722  -0.146723  -0.019567
-    0SOL     H2    2  -0.176786  -0.146053  -0.007361
-    0SOL     H3    3  -0.284772  -0.112833  -0.108130
-    1SOL     O4    4   0.268742   0.142581   0.018812
-    1SOL     H5    5   0.252184   0.095719   0.100617
-    1SOL     H6    6   0.242754   0.232855   0.037184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.150885  -0.255256  -0.064777
-    0SOL     H2    2  -0.150887  -0.323912   0.001922
-    0SOL     H3    3  -0.241488  -0.251578  -0.095434
-    1SOL     O4    4   0.150845   0.258144   0.061341
-    1SOL     H5    5   0.189268   0.253918   0.148909
-    1SOL     H6    6   0.224210   0.280285   0.003986
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.142722  -0.274369  -0.013708
-    0SOL     H2    2   0.202126  -0.348709  -0.003365
-    0SOL     H3    3   0.162697  -0.217194   0.060416
-    1SOL     O4    4  -0.146231   0.274470   0.002796
-    1SOL     H5    5  -0.134166   0.208791   0.071374
-    1SOL     H6    6  -0.165163   0.355451   0.050187
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028158   0.198784   0.245014
-    0SOL     H2    2   0.039055   0.150933   0.327196
-    0SOL     H3    3   0.116374   0.203611   0.208176
-    1SOL     O4    4  -0.030206  -0.200969  -0.250246
-    1SOL     H5    5  -0.108691  -0.151096  -0.272942
-    1SOL     H6    6  -0.005755  -0.169025  -0.163390
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.249207  -0.101480  -0.214142
-    0SOL     H2    2  -0.251430  -0.167021  -0.283869
-    0SOL     H3    3  -0.218566  -0.149384  -0.137145
-    1SOL     O4    4   0.245343   0.106038   0.218829
-    1SOL     H5    5   0.302223   0.057185   0.159328
-    1SOL     H6    6   0.231536   0.190114   0.175207
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.325479   0.132973  -0.041012
-    0SOL     H2    2  -0.341307   0.145965   0.052492
-    0SOL     H3    3  -0.412702   0.133609  -0.080433
-    1SOL     O4    4   0.327758  -0.137970   0.037164
-    1SOL     H5    5   0.368890  -0.112023   0.119609
-    1SOL     H6    6   0.355105  -0.070926  -0.025442
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.222508   0.116594  -0.269191
-    0SOL     H2    2  -0.229490   0.071604  -0.184992
-    0SOL     H3    3  -0.129069   0.114479  -0.289855
-    1SOL     O4    4   0.216392  -0.116460   0.259121
-    1SOL     H5    5   0.298367  -0.094744   0.303515
-    1SOL     H6    6   0.148031  -0.090196   0.320759
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067485   0.304766   0.229563
-    0SOL     H2    2  -0.117351   0.350448   0.297304
-    0SOL     H3    3  -0.068374   0.213026   0.256865
-    1SOL     O4    4   0.071989  -0.297521  -0.239356
-    1SOL     H5    5   0.092854  -0.301613  -0.146028
-    1SOL     H6    6   0.023801  -0.378379  -0.256742
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093180   0.178223  -0.341858
-    0SOL     H2    2  -0.060140   0.247642  -0.284835
-    0SOL     H3    3  -0.065358   0.097049  -0.299444
-    1SOL     O4    4   0.089445  -0.171477   0.337485
-    1SOL     H5    5   0.163210  -0.232348   0.333509
-    1SOL     H6    6   0.015099  -0.221650   0.304054
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.250250   0.099613   0.279602
-    0SOL     H2    2  -0.316847   0.039252   0.246681
-    0SOL     H3    3  -0.240605   0.076624   0.372018
-    1SOL     O4    4   0.253815  -0.101207  -0.284408
-    1SOL     H5    5   0.325947  -0.046724  -0.252928
-    1SOL     H6    6   0.180140  -0.040737  -0.293221
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046481   0.412611  -0.050205
-    0SOL     H2    2  -0.048676   0.408585  -0.040658
-    0SOL     H3    3   0.063864   0.371513  -0.134887
-    1SOL     O4    4  -0.044242  -0.408577   0.047585
-    1SOL     H5    5  -0.095959  -0.459387   0.110083
-    1SOL     H6    6   0.036732  -0.388212   0.094392
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.298246  -0.181703   0.256160
-    0SOL     H2    2   0.323249  -0.119188   0.188123
-    0SOL     H3    3   0.368770  -0.246423   0.256373
-    1SOL     O4    4  -0.300120   0.185094  -0.256304
-    1SOL     H5    5  -0.276117   0.111272  -0.200299
-    1SOL     H6    6  -0.392744   0.200316  -0.237560
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.231370  -0.299588  -0.208472
-    0SOL     H2    2   0.240851  -0.266378  -0.297744
-    0SOL     H3    3   0.315150  -0.341844  -0.189561
-    1SOL     O4    4  -0.231649   0.302184   0.208438
-    1SOL     H5    5  -0.301546   0.348735   0.254369
-    1SOL     H6    6  -0.242091   0.210848   0.235105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.318055  -0.139093  -0.283327
-    0SOL     H2    2  -0.382659  -0.068543  -0.279969
-    0SOL     H3    3  -0.236408  -0.098257  -0.254541
-    1SOL     O4    4   0.315421   0.138878   0.278638
-    1SOL     H5    5   0.374489   0.071220   0.245537
-    1SOL     H6    6   0.292307   0.109534   0.366768
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009335  -0.328635   0.313125
-    0SOL     H2    2  -0.028762  -0.339151   0.219989
-    0SOL     H3    3  -0.080650  -0.374236   0.357814
-    1SOL     O4    4   0.015855   0.331610  -0.303938
-    1SOL     H5    5  -0.072138   0.339140  -0.340857
-    1SOL     H6    6   0.073185   0.323027  -0.380108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.317807  -0.337581   0.055838
-    0SOL     H2    2   0.341585  -0.426175   0.083188
-    0SOL     H3    3   0.340240  -0.334341  -0.037160
-    1SOL     O4    4  -0.321043   0.346498  -0.047341
-    1SOL     H5    5  -0.323537   0.250861  -0.044204
-    1SOL     H6    6  -0.305447   0.367087  -0.139511
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.456303   0.038679   0.267409
-    0SOL     H2    2   0.450395   0.041461   0.171912
-    0SOL     H3    3   0.366978   0.020241   0.296453
-    1SOL     O4    4  -0.455972  -0.038960  -0.259117
-    1SOL     H5    5  -0.447242  -0.084453  -0.342882
-    1SOL     H6    6  -0.383954   0.024088  -0.258428
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.008670  -0.284762   0.452640
-    0SOL     H2    2   0.043579  -0.364563   0.460646
-    0SOL     H3    3  -0.091845  -0.314162   0.415493
-    1SOL     O4    4   0.008877   0.295246  -0.454993
-    1SOL     H5    5  -0.044802   0.240233  -0.397945
-    1SOL     H6    6   0.098093   0.262886  -0.442519
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077846  -0.307595  -0.435667
-    0SOL     H2    2   0.005624  -0.274948  -0.402063
-    0SOL     H3    3  -0.058244  -0.336261  -0.524865
-    1SOL     O4    4   0.068842   0.305461   0.445061
-    1SOL     H5    5   0.096846   0.249657   0.372507
-    1SOL     H6    6   0.092203   0.394117   0.417551
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.109691  -0.553931   0.246374
-    0SOL     H2    2  -0.187536  -0.596460   0.282343
-    0SOL     H3    3  -0.049512  -0.625958   0.227588
-    1SOL     O4    4   0.113078   0.556560  -0.242711
-    1SOL     H5    5   0.128865   0.547629  -0.336697
-    1SOL     H6    6   0.047047   0.625524  -0.235914
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009174   0.124880  -0.000756
-    0SOL     H2    2   0.065374   0.184534  -0.007569
-    0SOL     H3    3  -0.085441   0.182389   0.005436
-    1SOL     O4    4   0.010628  -0.135126  -0.004921
-    1SOL     H5    5  -0.002010  -0.040438   0.001133
-    1SOL     H6    6   0.002077  -0.166288   0.085180
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119624   0.039488  -0.023996
-    0SOL     H2    2  -0.107793   0.121630   0.023702
-    0SOL     H3    3  -0.152274   0.066131  -0.109941
-    1SOL     O4    4   0.126242  -0.048214   0.023342
-    1SOL     H5    5   0.036594  -0.070114  -0.002072
-    1SOL     H6    6   0.116245   0.012883   0.096345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025051   0.064104  -0.108891
-    0SOL     H2    2  -0.068898   0.082394  -0.110122
-    0SOL     H3    3   0.063546   0.132556  -0.163615
-    1SOL     O4    4  -0.020202  -0.068524   0.117847
-    1SOL     H5    5   0.025327  -0.036367   0.040031
-    1SOL     H6    6  -0.099710  -0.109594   0.083876
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044019   0.109734  -0.050126
-    0SOL     H2    2  -0.009417   0.184308  -0.077430
-    0SOL     H3    3   0.120500   0.149106  -0.008138
-    1SOL     O4    4  -0.050582  -0.119385   0.052399
-    1SOL     H5    5  -0.038132  -0.024501   0.054462
-    1SOL     H6    6   0.025766  -0.152587   0.005166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071940  -0.082584  -0.073812
-    0SOL     H2    2   0.115072  -0.152579  -0.024795
-    0SOL     H3    3   0.130443  -0.065385  -0.147595
-    1SOL     O4    4  -0.076444   0.091248   0.078011
-    1SOL     H5    5  -0.011084   0.032735   0.039715
-    1SOL     H6    6  -0.158937   0.043283   0.070492
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066938   0.109775   0.024416
-    0SOL     H2    2   0.094087   0.175422  -0.039738
-    0SOL     H3    3   0.099131   0.143259   0.108110
-    1SOL     O4    4  -0.076559  -0.116845  -0.028118
-    1SOL     H5    5  -0.028367  -0.035384  -0.013834
-    1SOL     H6    6  -0.017556  -0.185431   0.003138
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017146  -0.058731  -0.120651
-    0SOL     H2    2  -0.072071  -0.102607  -0.055686
-    0SOL     H3    3  -0.005564  -0.123630  -0.190050
-    1SOL     O4    4   0.024358   0.067529   0.125475
-    1SOL     H5    5  -0.070334   0.057110   0.134808
-    1SOL     H6    6   0.043172   0.037403   0.036589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040521   0.112600   0.062325
-    0SOL     H2    2  -0.003949   0.176894   0.001570
-    0SOL     H3    3  -0.124984   0.149422   0.088257
-    1SOL     O4    4   0.048858  -0.115892  -0.062648
-    1SOL     H5    5   0.012385  -0.203802  -0.072836
-    1SOL     H6    6  -0.018002  -0.067658  -0.014012
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090859   0.092043  -0.061670
-    0SOL     H2    2   0.142563   0.062241  -0.136508
-    0SOL     H3    3   0.037720   0.016191  -0.037482
-    1SOL     O4    4  -0.086732  -0.085914   0.059902
-    1SOL     H5    5  -0.096824  -0.156718   0.123520
-    1SOL     H6    6  -0.153201  -0.021673   0.084747
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124070   0.029061   0.048048
-    0SOL     H2    2   0.194047   0.061559  -0.008604
-    0SOL     H3    3   0.111922   0.098120   0.113207
-    1SOL     O4    4  -0.132242  -0.040231  -0.048221
-    1SOL     H5    5  -0.133612   0.033975  -0.108668
-    1SOL     H6    6  -0.050907  -0.029513   0.001095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064379   0.055248  -0.109707
-    0SOL     H2    2  -0.085521  -0.002097  -0.183375
-    0SOL     H3    3   0.008088   0.109205  -0.141324
-    1SOL     O4    4   0.062460  -0.059406   0.114623
-    1SOL     H5    5   0.012403  -0.034822   0.192419
-    1SOL     H6    6   0.080171   0.023552   0.070276
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085591  -0.116096  -0.002983
-    0SOL     H2    2   0.126592  -0.074782  -0.078972
-    0SOL     H3    3   0.000657  -0.146416  -0.035064
-    1SOL     O4    4  -0.084696   0.119046   0.003889
-    1SOL     H5    5  -0.022971   0.046120   0.009737
-    1SOL     H6    6  -0.118704   0.128894   0.092820
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132378   0.061011   0.004875
-    0SOL     H2    2  -0.041557   0.033802   0.018051
-    0SOL     H3    3  -0.161191   0.091009   0.091085
-    1SOL     O4    4   0.123081  -0.057351  -0.008876
-    1SOL     H5    5   0.198650  -0.028704  -0.060168
-    1SOL     H6    6   0.146248  -0.145318   0.020913
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120502   0.062747  -0.056669
-    0SOL     H2    2   0.159868   0.121972   0.007402
-    0SOL     H3    3   0.040622   0.031273  -0.014350
-    1SOL     O4    4  -0.118145  -0.059700   0.044451
-    1SOL     H5    5  -0.049979  -0.125913   0.055923
-    1SOL     H6    6  -0.173246  -0.068253   0.122252
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135482  -0.016033   0.045136
-    0SOL     H2    2   0.165530  -0.087204  -0.011380
-    0SOL     H3    3   0.143344   0.062532  -0.008977
-    1SOL     O4    4  -0.138364   0.016644  -0.046426
-    1SOL     H5    5  -0.205142  -0.005843   0.018361
-    1SOL     H6    6  -0.057289   0.023357   0.004014
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104929   0.070830   0.079122
-    0SOL     H2    2  -0.101955   0.163347   0.054748
-    0SOL     H3    3  -0.014490   0.040757   0.070248
-    1SOL     O4    4   0.104826  -0.070484  -0.078074
-    1SOL     H5    5   0.097755  -0.159110  -0.042611
-    1SOL     H6    6   0.015052  -0.046657  -0.101206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119563   0.034676  -0.088736
-    0SOL     H2    2   0.030547   0.002735  -0.073964
-    0SOL     H3    3   0.137860   0.090540  -0.013193
-    1SOL     O4    4  -0.111977  -0.031732   0.079508
-    1SOL     H5    5  -0.177162  -0.095062   0.049465
-    1SOL     H6    6  -0.110569  -0.042047   0.174660
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074027  -0.016696  -0.126446
-    0SOL     H2    2   0.160280  -0.048803  -0.152752
-    0SOL     H3    3   0.082362   0.000377  -0.032631
-    1SOL     O4    4  -0.075907   0.012263   0.121870
-    1SOL     H5    5  -0.068561   0.065060   0.201374
-    1SOL     H6    6  -0.139912   0.058780   0.068001
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002150  -0.140894  -0.020669
-    0SOL     H2    2   0.052118  -0.146147  -0.099344
-    0SOL     H3    3   0.022756  -0.217637   0.030833
-    1SOL     O4    4   0.001715   0.148503   0.018740
-    1SOL     H5    5  -0.026838   0.173705   0.106557
-    1SOL     H6    6  -0.054517   0.074608  -0.004495
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022811  -0.138498  -0.027753
-    0SOL     H2    2  -0.023493  -0.234181  -0.030330
-    0SOL     H3    3  -0.039357  -0.111936  -0.118213
-    1SOL     O4    4   0.022506   0.145080   0.026599
-    1SOL     H5    5  -0.019260   0.066829   0.062582
-    1SOL     H6    6   0.083174   0.173494   0.094969
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031235   0.114850   0.081880
-    0SOL     H2    2   0.099647   0.090441   0.144221
-    0SOL     H3    3   0.070309   0.184834   0.029556
-    1SOL     O4    4  -0.041948  -0.118036  -0.086926
-    1SOL     H5    5  -0.034786  -0.049230  -0.020769
-    1SOL     H6    6   0.033426  -0.174786  -0.070787
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000910  -0.083037   0.128582
-    0SOL     H2    2   0.012709  -0.031392   0.049149
-    0SOL     H3    3  -0.092062  -0.111756   0.123201
-    1SOL     O4    4   0.003005   0.076866  -0.119989
-    1SOL     H5    5   0.001554   0.170319  -0.099330
-    1SOL     H6    6   0.044826   0.071937  -0.205948
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109761  -0.014259   0.089955
-    0SOL     H2    2   0.157818  -0.088972   0.054308
-    0SOL     H3    3   0.148315   0.000046   0.176392
-    1SOL     O4    4  -0.113418   0.022377  -0.098707
-    1SOL     H5    5  -0.054688  -0.012608  -0.031705
-    1SOL     H6    6  -0.199820  -0.011140  -0.074758
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039965  -0.148610   0.006678
-    0SOL     H2    2   0.017727  -0.172172   0.079334
-    0SOL     H3    3  -0.042349  -0.052929   0.007983
-    1SOL     O4    4   0.035567   0.137027  -0.009352
-    1SOL     H5    5  -0.024349   0.207797  -0.033097
-    1SOL     H6    6   0.121543   0.178864  -0.004863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103028  -0.005976   0.114469
-    0SOL     H2    2  -0.053679  -0.087362   0.104311
-    0SOL     H3    3  -0.037401   0.058856   0.140006
-    1SOL     O4    4   0.102243   0.004657  -0.114023
-    1SOL     H5    5   0.080944   0.076035  -0.174138
-    1SOL     H6    6   0.017330  -0.026371  -0.082566
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116566  -0.063489   0.056990
-    0SOL     H2    2   0.199494  -0.066419   0.009275
-    0SOL     H3    3   0.127505  -0.126704   0.128028
-    1SOL     O4    4  -0.127945   0.065330  -0.060520
-    1SOL     H5    5  -0.058892   0.020514  -0.011677
-    1SOL     H6    6  -0.091496   0.151708  -0.079824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051943   0.059619   0.119897
-    0SOL     H2    2  -0.118346   0.128468   0.123477
-    0SOL     H3    3  -0.010514   0.061725   0.206161
-    1SOL     O4    4   0.055378  -0.065152  -0.132035
-    1SOL     H5    5   0.102198  -0.089241  -0.052098
-    1SOL     H6    6  -0.025128  -0.023626  -0.101105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089771  -0.036046  -0.123383
-    0SOL     H2    2  -0.043732  -0.008091  -0.044255
-    0SOL     H3    3  -0.020953  -0.070559  -0.180262
-    1SOL     O4    4   0.079579   0.035599   0.116662
-    1SOL     H5    5   0.110410  -0.028719   0.180498
-    1SOL     H6    6   0.115555   0.118876   0.147206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084856  -0.015124  -0.123557
-    0SOL     H2    2   0.133807  -0.028639  -0.042419
-    0SOL     H3    3   0.137882   0.046959  -0.173519
-    1SOL     O4    4  -0.089377   0.009887   0.127890
-    1SOL     H5    5  -0.085564  -0.038441   0.045354
-    1SOL     H6    6  -0.120100   0.097122   0.103224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014575   0.115606  -0.107787
-    0SOL     H2    2  -0.058173   0.073521  -0.153601
-    0SOL     H3    3   0.003370   0.089923  -0.016261
-    1SOL     O4    4  -0.010668  -0.106017   0.102294
-    1SOL     H5    5   0.071359  -0.149656   0.125305
-    1SOL     H6    6  -0.078988  -0.164758   0.134607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057503  -0.072437   0.128337
-    0SOL     H2    2   0.019024  -0.089961   0.183098
-    0SOL     H3    3  -0.024689  -0.015472   0.058762
-    1SOL     O4    4   0.046300   0.069324  -0.127133
-    1SOL     H5    5   0.091935   0.151740  -0.110181
-    1SOL     H6    6   0.114760   0.009841  -0.157747
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021253   0.102477   0.113855
-    0SOL     H2    2   0.116071   0.093634   0.123531
-    0SOL     H3    3  -0.015071   0.033358   0.169220
-    1SOL     O4    4  -0.020754  -0.101445  -0.120899
-    1SOL     H5    5   0.002955  -0.028830  -0.063217
-    1SOL     H6    6  -0.116274  -0.097875  -0.125956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085165  -0.069649  -0.118328
-    0SOL     H2    2  -0.136508  -0.124976  -0.059464
-    0SOL     H3    3  -0.037398  -0.010540  -0.060131
-    1SOL     O4    4   0.082295   0.074465   0.107501
-    1SOL     H5    5   0.152269   0.013433   0.084241
-    1SOL     H6    6   0.058970   0.051118   0.197352
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035714   0.110375   0.099381
-    0SOL     H2    2   0.006223   0.095199   0.184077
-    0SOL     H3    3  -0.000274   0.194204   0.069732
-    1SOL     O4    4   0.033866  -0.116837  -0.098148
-    1SOL     H5    5  -0.029192  -0.044825  -0.098388
-    1SOL     H6    6   0.043240  -0.140836  -0.190335
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123834   0.042147   0.096279
-    0SOL     H2    2  -0.046091   0.097974   0.097591
-    0SOL     H3    3  -0.090648  -0.044678   0.073422
-    1SOL     O4    4   0.113605  -0.044388  -0.092907
-    1SOL     H5    5   0.165858   0.019083  -0.043882
-    1SOL     H6    6   0.147498  -0.039443  -0.182289
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015793  -0.139496  -0.069785
-    0SOL     H2    2  -0.051438  -0.203551  -0.046566
-    0SOL     H3    3  -0.027627  -0.080340  -0.131247
-    1SOL     O4    4  -0.011399   0.142348   0.065989
-    1SOL     H5    5  -0.002442   0.184124   0.151644
-    1SOL     H6    6   0.011768   0.050764   0.081415
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126317  -0.103124  -0.006884
-    0SOL     H2    2   0.084229  -0.018186  -0.020166
-    0SOL     H3    3   0.201558  -0.084124   0.049153
-    1SOL     O4    4  -0.123614   0.092449   0.003690
-    1SOL     H5    5  -0.202210   0.118339  -0.044422
-    1SOL     H6    6  -0.113984   0.159194   0.071622
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059590   0.145421   0.024682
-    0SOL     H2    2  -0.116134   0.220681   0.042035
-    0SOL     H3    3   0.016391   0.158926   0.081310
-    1SOL     O4    4   0.063096  -0.154079  -0.028526
-    1SOL     H5    5  -0.029831  -0.173338  -0.016038
-    1SOL     H6    6   0.066135  -0.059724  -0.044344
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111315  -0.103044  -0.074040
-    0SOL     H2    2   0.061670  -0.042480  -0.018999
-    0SOL     H3    3   0.064340  -0.103687  -0.157438
-    1SOL     O4    4  -0.105017   0.101411   0.069751
-    1SOL     H5    5  -0.164999   0.035548   0.104773
-    1SOL     H6    6  -0.056529   0.132732   0.146107
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021869   0.060970   0.160772
-    0SOL     H2    2  -0.041590   0.017945   0.103464
-    0SOL     H3    3  -0.031374   0.102654   0.228521
-    1SOL     O4    4  -0.009995  -0.064812  -0.161792
-    1SOL     H5    5  -0.083912  -0.060754  -0.101111
-    1SOL     H6    6  -0.026121   0.006098  -0.224033
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063416   0.106335  -0.113592
-    0SOL     H2    2   0.138050   0.166248  -0.115218
-    0SOL     H3    3  -0.007258   0.154878  -0.156148
-    1SOL     O4    4  -0.064117  -0.106752   0.119191
-    1SOL     H5    5   0.011196  -0.132466   0.066002
-    1SOL     H6    6  -0.123088  -0.182048   0.115281
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.149044   0.060886   0.049874
-    0SOL     H2    2  -0.215983   0.117931   0.012094
-    0SOL     H3    3  -0.128496   0.100738   0.134443
-    1SOL     O4    4   0.156654  -0.070254  -0.055931
-    1SOL     H5    5   0.170402  -0.029213   0.029445
-    1SOL     H6    6   0.065699  -0.050073  -0.077891
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012893   0.034881   0.173930
-    0SOL     H2    2   0.066533  -0.014297   0.111748
-    0SOL     H3    3  -0.055932  -0.026351   0.199929
-    1SOL     O4    4  -0.016595  -0.023265  -0.173177
-    1SOL     H5    5  -0.034094  -0.112694  -0.143879
-    1SOL     H6    6   0.078715  -0.018718  -0.180779
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.081395   0.114615   0.114491
-    0SOL     H2    2  -0.006349   0.171433   0.131870
-    0SOL     H3    3  -0.056400   0.065016   0.036533
-    1SOL     O4    4   0.074405  -0.108742  -0.109026
-    1SOL     H5    5   0.067061  -0.150708  -0.194742
-    1SOL     H6    6   0.096325  -0.180134  -0.049151
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035914  -0.026907   0.167027
-    0SOL     H2    2   0.049140  -0.041289   0.260731
-    0SOL     H3    3  -0.058575  -0.035695   0.154499
-    1SOL     O4    4  -0.036402   0.023211  -0.173800
-    1SOL     H5    5   0.007765   0.033870  -0.089550
-    1SOL     H6    6  -0.003958   0.095692  -0.227244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066300  -0.137569  -0.078575
-    0SOL     H2    2   0.139656  -0.194568  -0.101649
-    0SOL     H3    3  -0.009384  -0.177190  -0.121754
-    1SOL     O4    4  -0.065968   0.146256   0.086560
-    1SOL     H5    5   0.013399   0.110479   0.046770
-    1SOL     H6    6  -0.137549   0.108627   0.035349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.152310   0.097052  -0.035771
-    0SOL     H2    2   0.076249   0.133560  -0.080987
-    0SOL     H3    3   0.117846   0.021721   0.012184
-    1SOL     O4    4  -0.141300  -0.097685   0.039576
-    1SOL     H5    5  -0.163305  -0.120810  -0.050664
-    1SOL     H6    6  -0.199443  -0.024576   0.060475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.109816  -0.048119  -0.134444
-    0SOL     H2    2  -0.122714   0.045788  -0.121120
-    0SOL     H3    3  -0.179150  -0.089408  -0.082962
-    1SOL     O4    4   0.121645   0.045856   0.130009
-    1SOL     H5    5   0.060085   0.098833   0.180666
-    1SOL     H6    6   0.067507  -0.022247   0.090091
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116237   0.032280   0.143195
-    0SOL     H2    2  -0.131389   0.005278   0.052621
-    0SOL     H3    3  -0.052543  -0.030822   0.176714
-    1SOL     O4    4   0.109236  -0.024327  -0.134462
-    1SOL     H5    5   0.141752  -0.112888  -0.150646
-    1SOL     H6    6   0.140215   0.026665  -0.209311
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016093   0.104902   0.153404
-    0SOL     H2    2  -0.043216   0.179642   0.145747
-    0SOL     H3    3   0.015354   0.064682   0.066548
-    1SOL     O4    4  -0.007382  -0.110806  -0.145172
-    1SOL     H5    5  -0.002543  -0.025957  -0.189213
-    1SOL     H6    6  -0.100558  -0.132728  -0.145485
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101570   0.153148   0.012594
-    0SOL     H2    2   0.187659   0.192658  -0.001190
-    0SOL     H3    3   0.044951   0.226620   0.036227
-    1SOL     O4    4  -0.102872  -0.163475  -0.007709
-    1SOL     H5    5  -0.102547  -0.070034  -0.028469
-    1SOL     H6    6  -0.117619  -0.206697  -0.091833
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106018   0.019152   0.165801
-    0SOL     H2    2   0.138950  -0.070529   0.159868
-    0SOL     H3    3   0.059154   0.033003   0.083496
-    1SOL     O4    4  -0.107412  -0.008916  -0.156758
-    1SOL     H5    5  -0.130080  -0.100913  -0.143155
-    1SOL     H6    6  -0.045976  -0.009937  -0.230154
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.164071   0.093259   0.049974
-    0SOL     H2    2   0.223692   0.018686   0.043158
-    0SOL     H3    3   0.122664   0.098831  -0.036147
-    1SOL     O4    4  -0.169914  -0.084839  -0.048268
-    1SOL     H5    5  -0.116372  -0.066627   0.028959
-    1SOL     H6    6  -0.148812  -0.175317  -0.071307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.181167  -0.035647  -0.035998
-    0SOL     H2    2   0.216868   0.025450   0.028461
-    0SOL     H3    3   0.246055  -0.105837  -0.041044
-    1SOL     O4    4  -0.193449   0.036446   0.035504
-    1SOL     H5    5  -0.145064  -0.039259   0.002489
-    1SOL     H6    6  -0.132974   0.109926   0.025219
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033141   0.099156  -0.166061
-    0SOL     H2    2   0.098505   0.068947  -0.102996
-    0SOL     H3    3   0.003446   0.183295  -0.131405
-    1SOL     O4    4  -0.035658  -0.099470   0.167474
-    1SOL     H5    5  -0.053509  -0.048101   0.088704
-    1SOL     H6    6  -0.007311  -0.184775   0.134582
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083700   0.141761   0.111167
-    0SOL     H2    2   0.013792   0.080146   0.089281
-    0SOL     H3    3   0.047248   0.195392   0.181574
-    1SOL     O4    4  -0.075737  -0.136973  -0.110383
-    1SOL     H5    5  -0.147595  -0.195553  -0.086566
-    1SOL     H6    6  -0.050466  -0.164577  -0.198483
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.107837  -0.010314  -0.172708
-    0SOL     H2    2   0.070408  -0.077707  -0.229450
-    0SOL     H3    3   0.038995   0.055780  -0.165312
-    1SOL     O4    4  -0.096905   0.014165   0.178133
-    1SOL     H5    5  -0.189280   0.019185   0.202710
-    1SOL     H6    6  -0.093974  -0.052221   0.109238
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.200120  -0.021178  -0.016276
-    0SOL     H2    2   0.240284  -0.017257   0.070522
-    0SOL     H3    3   0.262713  -0.070300  -0.069487
-    1SOL     O4    4  -0.207778   0.017624   0.015802
-    1SOL     H5    5  -0.219666   0.056524  -0.070846
-    1SOL     H6    6  -0.172262   0.088604   0.069307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.167156   0.124534   0.052677
-    0SOL     H2    2   0.079308   0.143195   0.019558
-    0SOL     H3    3   0.223450   0.129306  -0.024593
-    1SOL     O4    4  -0.162027  -0.121177  -0.050102
-    1SOL     H5    5  -0.218143  -0.102240   0.025096
-    1SOL     H6    6  -0.163423  -0.216587  -0.057665
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046581   0.142269  -0.148438
-    0SOL     H2    2  -0.070756   0.228595  -0.181991
-    0SOL     H3    3  -0.007527   0.097439  -0.223454
-    1SOL     O4    4   0.048215  -0.149903   0.154855
-    1SOL     H5    5  -0.001145  -0.114685   0.080791
-    1SOL     H6    6   0.050049  -0.078515   0.218594
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110159   0.085192   0.161990
-    0SOL     H2    2  -0.121331   0.156760   0.224564
-    0SOL     H3    3  -0.171628   0.017908   0.191260
-    1SOL     O4    4   0.108748  -0.087129  -0.164304
-    1SOL     H5    5   0.170485  -0.018219  -0.139765
-    1SOL     H6    6   0.146796  -0.126614  -0.242761
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.176801   0.059824  -0.113196
-    0SOL     H2    2   0.252282   0.029713  -0.163776
-    0SOL     H3    3   0.182781   0.012093  -0.030441
-    1SOL     O4    4  -0.184901  -0.051507   0.114748
-    1SOL     H5    5  -0.213726  -0.121619   0.056303
-    1SOL     H6    6  -0.089375  -0.053132   0.108888
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146615  -0.126501   0.101850
-    0SOL     H2    2  -0.161844  -0.202820   0.046120
-    0SOL     H3    3  -0.226780  -0.074768   0.094130
-    1SOL     O4    4   0.154545   0.130901  -0.093879
-    1SOL     H5    5   0.088139   0.062888  -0.082616
-    1SOL     H6    6   0.161581   0.142109  -0.188680
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084977  -0.155495  -0.135242
-    0SOL     H2    2   0.017995  -0.121572  -0.194613
-    0SOL     H3    3   0.037252  -0.213348  -0.075763
-    1SOL     O4    4  -0.074144   0.155166   0.131006
-    1SOL     H5    5  -0.070122   0.137661   0.225025
-    1SOL     H6    6  -0.155942   0.203422   0.119057
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013723   0.121145  -0.196983
-    0SOL     H2    2   0.061217   0.074021  -0.160572
-    0SOL     H3    3  -0.079924   0.117977  -0.127920
-    1SOL     O4    4   0.006790  -0.118385   0.190271
-    1SOL     H5    5   0.066420  -0.043523   0.191808
-    1SOL     H6    6   0.062066  -0.193539   0.211689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067825   0.212618  -0.036210
-    0SOL     H2    2   0.154908   0.213190  -0.075940
-    0SOL     H3    3   0.008207   0.196314  -0.109300
-    1SOL     O4    4  -0.070272  -0.207834   0.037940
-    1SOL     H5    5  -0.053879  -0.178210   0.127472
-    1SOL     H6    6  -0.077550  -0.303008   0.045106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.185630   0.139472   0.058997
-    0SOL     H2    2  -0.168828   0.190186  -0.020427
-    0SOL     H3    3  -0.273003   0.102632   0.045913
-    1SOL     O4    4   0.186546  -0.136795  -0.059803
-    1SOL     H5    5   0.249540  -0.208830  -0.062058
-    1SOL     H6    6   0.172049  -0.120500   0.033399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010133  -0.198832  -0.137759
-    0SOL     H2    2  -0.032514  -0.200230  -0.230815
-    0SOL     H3    3  -0.090042  -0.169023  -0.094303
-    1SOL     O4    4   0.015269   0.192293   0.143343
-    1SOL     H5    5   0.085033   0.219239   0.083600
-    1SOL     H6    6  -0.046561   0.265360   0.142547
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054851   0.175860   0.156254
-    0SOL     H2    2  -0.026698   0.214010   0.188758
-    0SOL     H3    3   0.082319   0.115529   0.225305
-    1SOL     O4    4  -0.045115  -0.177276  -0.162746
-    1SOL     H5    5  -0.070962  -0.085783  -0.151635
-    1SOL     H6    6  -0.127782  -0.225486  -0.164808
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.144481  -0.051199  -0.197271
-    0SOL     H2    2   0.068672  -0.058351  -0.255273
-    0SOL     H3    3   0.107032  -0.046414  -0.109310
-    1SOL     O4    4  -0.140934   0.046270   0.191244
-    1SOL     H5    5  -0.182624   0.131374   0.204720
-    1SOL     H6    6  -0.062729   0.048859   0.246376
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.175001   0.120278   0.114811
-    0SOL     H2    2   0.259591   0.103678   0.073203
-    0SOL     H3    3   0.193533   0.186700   0.181196
-    1SOL     O4    4  -0.180048  -0.128688  -0.117374
-    1SOL     H5    5  -0.201727  -0.055982  -0.175737
-    1SOL     H6    6  -0.156638  -0.086814  -0.034544
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074044  -0.094039   0.215535
-    0SOL     H2    2  -0.001063  -0.049098   0.258155
-    0SOL     H3    3  -0.094068  -0.167567   0.273457
-    1SOL     O4    4   0.073747   0.094552  -0.226303
-    1SOL     H5    5   0.116211   0.131897  -0.149073
-    1SOL     H6    6  -0.017961   0.084531  -0.200778
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080213   0.021611   0.238695
-    0SOL     H2    2  -0.018313  -0.051082   0.245510
-    0SOL     H3    3  -0.038020   0.093546   0.285678
-    1SOL     O4    4   0.068302  -0.018017  -0.240097
-    1SOL     H5    5   0.081012  -0.099366  -0.288915
-    1SOL     H6    6   0.156571   0.008515  -0.214272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.175240   0.113937  -0.162160
-    0SOL     H2    2   0.125313   0.195595  -0.163455
-    0SOL     H3    3   0.109288   0.045319  -0.172367
-    1SOL     O4    4  -0.167129  -0.119602   0.157483
-    1SOL     H5    5  -0.141608  -0.126585   0.249473
-    1SOL     H6    6  -0.213480  -0.036052   0.151712
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066353  -0.065389  -0.262126
-    0SOL     H2    2  -0.081584   0.029093  -0.264017
-    0SOL     H3    3   0.017751  -0.077028  -0.306323
-    1SOL     O4    4   0.056424   0.058746   0.268730
-    1SOL     H5    5   0.097097   0.011750   0.195933
-    1SOL     H6    6   0.110286   0.137096   0.279800
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068361   0.080106   0.266475
-    0SOL     H2    2   0.025233   0.165168   0.258306
-    0SOL     H3    3  -0.002995   0.018525   0.283163
-    1SOL     O4    4  -0.063727  -0.087477  -0.267491
-    1SOL     H5    5  -0.030177  -0.027188  -0.333838
-    1SOL     H6    6  -0.077966  -0.032702  -0.190295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031121   0.220882  -0.195451
-    0SOL     H2    2   0.003965   0.307093  -0.217790
-    0SOL     H3    3   0.038790   0.178737  -0.145465
-    1SOL     O4    4   0.018932  -0.225684   0.192053
-    1SOL     H5    5   0.103547  -0.263316   0.167836
-    1SOL     H6    6   0.040835  -0.152541   0.249783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010405  -0.295373  -0.047035
-    0SOL     H2    2   0.022928  -0.363198   0.011711
-    0SOL     H3    3  -0.018944  -0.339086  -0.131761
-    1SOL     O4    4   0.003909   0.304468   0.053032
-    1SOL     H5    5   0.050004   0.353408  -0.015103
-    1SOL     H6    6   0.038122   0.215358   0.045886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.180955   0.250362   0.008516
-    0SOL     H2    2  -0.137183   0.182737  -0.043187
-    0SOL     H3    3  -0.216702   0.310875  -0.056466
-    1SOL     O4    4   0.179640  -0.243175  -0.000422
-    1SOL     H5    5   0.237667  -0.281032  -0.066468
-    1SOL     H6    6   0.133095  -0.318233   0.036487
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.129423   0.216096  -0.192249
-    0SOL     H2    2   0.069390   0.246214  -0.124049
-    0SOL     H3    3   0.172667   0.295746  -0.223041
-    1SOL     O4    4  -0.131834  -0.228050   0.192132
-    1SOL     H5    5  -0.067571  -0.175845   0.240165
-    1SOL     H6    6  -0.134454  -0.188616   0.104952
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.306576  -0.105453   0.027850
-    0SOL     H2    2  -0.343386  -0.175974  -0.025386
-    0SOL     H3    3  -0.343204  -0.119653   0.115137
-    1SOL     O4    4   0.311754   0.110405  -0.035763
-    1SOL     H5    5   0.329292   0.043535   0.030442
-    1SOL     H6    6   0.271666   0.182425   0.012903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094444  -0.194913   0.308593
-    0SOL     H2    2  -0.020463  -0.134814   0.299802
-    0SOL     H3    3  -0.152923  -0.152012   0.371059
-    1SOL     O4    4   0.095630   0.192939  -0.305712
-    1SOL     H5    5   0.147497   0.141070  -0.367208
-    1SOL     H6    6   0.005628   0.184567  -0.337207
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096743  -0.109044  -0.346165
-    0SOL     H2    2  -0.118676  -0.026321  -0.389039
-    0SOL     H3    3  -0.071608  -0.167297  -0.417839
-    1SOL     O4    4   0.099787   0.110113   0.348198
-    1SOL     H5    5   0.052510   0.026924   0.345588
-    1SOL     H6    6   0.085764   0.142908   0.437025
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.367411  -0.078695  -0.026148
-    0SOL     H2    2  -0.435027  -0.049445  -0.087262
-    0SOL     H3    3  -0.415806  -0.121353   0.044566
-    1SOL     O4    4   0.370309   0.082226   0.030062
-    1SOL     H5    5   0.363338  -0.010386   0.006894
-    1SOL     H6    6   0.438261   0.116446  -0.028023
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113129  -0.353200  -0.114993
-    0SOL     H2    2   0.167195  -0.280782  -0.083454
-    0SOL     H3    3   0.096146  -0.332244  -0.206834
-    1SOL     O4    4  -0.121640   0.349956   0.120130
-    1SOL     H5    5  -0.093522   0.296323   0.046001
-    1SOL     H6    6  -0.040666   0.370898   0.166681
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027402   0.357881   0.147679
-    0SOL     H2    2  -0.048427   0.312685   0.110671
-    0SOL     H3    3   0.011395   0.358291   0.242050
-    1SOL     O4    4  -0.028230  -0.350645  -0.150710
-    1SOL     H5    5   0.001236  -0.409460  -0.220243
-    1SOL     H6    6   0.030366  -0.369032  -0.077289
-  3.000000   3.000000   3.000000
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-    6
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-    0SOL     H2    2   0.139935  -0.044031   0.352178
-    0SOL     H3    3   0.149979  -0.173965   0.275137
-    1SOL     O4    4  -0.199190   0.110629  -0.329959
-    1SOL     H5    5  -0.134899   0.116280  -0.400648
-    1SOL     H6    6  -0.170202   0.175585  -0.265906
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.338685  -0.130536   0.170093
-    0SOL     H2    2   0.422567  -0.160145   0.134745
-    0SOL     H3    3   0.326769  -0.182005   0.249913
-    1SOL     O4    4  -0.343286   0.130800  -0.166644
-    1SOL     H5    5  -0.280346   0.201694  -0.179866
-    1SOL     H6    6  -0.393842   0.128129  -0.247880
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014515   0.417956   0.097830
-    0SOL     H2    2  -0.023705   0.397765   0.190944
-    0SOL     H3    3  -0.072476   0.355695   0.053938
-    1SOL     O4    4   0.014007  -0.416903  -0.099394
-    1SOL     H5    5   0.028962  -0.378182  -0.185645
-    1SOL     H6    6   0.083984  -0.381297  -0.044642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019150   0.134546   0.410747
-    0SOL     H2    2  -0.004018   0.149116   0.504133
-    0SOL     H3    3   0.063921   0.099988   0.378079
-    1SOL     O4    4   0.010026  -0.135692  -0.411031
-    1SOL     H5    5   0.055537  -0.053825  -0.391314
-    1SOL     H6    6   0.059142  -0.173486  -0.483980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043168  -0.018593  -0.129399
-    0SOL     H2    2   0.008361  -0.009713  -0.049223
-    0SOL     H3    3   0.018868  -0.051920  -0.194230
-    1SOL     O4    4   0.041247   0.016646   0.126403
-    1SOL     H5    5   0.037142   0.111618   0.137619
-    1SOL     H6    6  -0.046013  -0.014199   0.150829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102571  -0.004283   0.078468
-    0SOL     H2    2   0.174185   0.050354   0.110850
-    0SOL     H3    3   0.100948  -0.079371   0.137810
-    1SOL     O4    4  -0.111896   0.003601  -0.083983
-    1SOL     H5    5  -0.045895   0.010228  -0.014974
-    1SOL     H6    6  -0.069261   0.040048  -0.161548
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079560  -0.020572   0.111568
-    0SOL     H2    2  -0.001930  -0.049816   0.063812
-    0SOL     H3    3  -0.145919  -0.086831   0.092374
-    1SOL     O4    4   0.081453   0.024621  -0.101354
-    1SOL     H5    5  -0.000539   0.071868  -0.115756
-    1SOL     H6    6   0.114059   0.005762  -0.189351
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113578  -0.001816   0.063422
-    0SOL     H2    2   0.195044   0.047757   0.071670
-    0SOL     H3    3   0.113366  -0.060402   0.139119
-    1SOL     O4    4  -0.120623  -0.000551  -0.073811
-    1SOL     H5    5  -0.171349   0.037538  -0.002129
-    1SOL     H6    6  -0.029341   0.014666  -0.049348
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027667  -0.088910  -0.100821
-    0SOL     H2    2   0.076036  -0.169446  -0.119171
-    0SOL     H3    3   0.093302  -0.019525  -0.107150
-    1SOL     O4    4  -0.035287   0.092070   0.107553
-    1SOL     H5    5  -0.012859   0.000770   0.089561
-    1SOL     H6    6  -0.008430   0.139352   0.028779
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028497  -0.127833   0.064283
-    0SOL     H2    2  -0.041672  -0.038011   0.033941
-    0SOL     H3    3   0.063778  -0.145921   0.046377
-    1SOL     O4    4   0.029396   0.122629  -0.058073
-    1SOL     H5    5   0.031986   0.130608  -0.153425
-    1SOL     H6    6  -0.062397   0.137298  -0.035247
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126197   0.056716  -0.047682
-    0SOL     H2    2   0.169877   0.036834   0.035138
-    0SOL     H3    3   0.044201   0.007468  -0.043996
-    1SOL     O4    4  -0.120129  -0.046994   0.039389
-    1SOL     H5    5  -0.109413  -0.076640   0.129769
-    1SOL     H6    6  -0.186766  -0.105155   0.002795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.114005  -0.064463   0.068610
-    0SOL     H2    2  -0.034065  -0.085797   0.020477
-    0SOL     H3    3  -0.133754   0.025779   0.043537
-    1SOL     O4    4   0.113338   0.055810  -0.060793
-    1SOL     H5    5   0.069358   0.052034  -0.145727
-    1SOL     H6    6   0.102620   0.146538  -0.032230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122481  -0.014724   0.070496
-    0SOL     H2    2   0.213743  -0.041344   0.059317
-    0SOL     H3    3   0.085429  -0.018426  -0.017684
-    1SOL     O4    4  -0.124136   0.012035  -0.070018
-    1SOL     H5    5  -0.173207  -0.006536   0.010041
-    1SOL     H6    6  -0.096592   0.103229  -0.060674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040944  -0.113340  -0.078630
-    0SOL     H2    2  -0.075775  -0.157391  -0.001115
-    0SOL     H3    3  -0.102751  -0.042257  -0.095641
-    1SOL     O4    4   0.043419   0.115827   0.080322
-    1SOL     H5    5  -0.005749   0.080412   0.006223
-    1SOL     H6    6   0.132768   0.084095   0.067202
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126133   0.040067  -0.053776
-    0SOL     H2    2   0.118500   0.132464  -0.077584
-    0SOL     H3    3   0.150053   0.041062   0.038901
-    1SOL     O4    4  -0.130933  -0.040177   0.051058
-    1SOL     H5    5  -0.038159  -0.051008   0.071986
-    1SOL     H6    6  -0.154592  -0.120465   0.004621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076387  -0.086366   0.075289
-    0SOL     H2    2  -0.061714  -0.157809   0.137280
-    0SOL     H3    3  -0.161634  -0.050416   0.099842
-    1SOL     O4    4   0.081009   0.093765  -0.078248
-    1SOL     H5    5   0.027768   0.022255  -0.043405
-    1SOL     H6    6   0.119307   0.058284  -0.158476
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112770   0.066215   0.067900
-    0SOL     H2    2   0.093261   0.158385   0.084822
-    0SOL     H3    3   0.050110   0.040443   0.000284
-    1SOL     O4    4  -0.103850  -0.068034  -0.060019
-    1SOL     H5    5  -0.175341  -0.024739  -0.106677
-    1SOL     H6    6  -0.099585  -0.155558  -0.098536
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.134917  -0.020844  -0.041946
-    0SOL     H2    2   0.137980  -0.115870  -0.053039
-    0SOL     H3    3   0.114430   0.012851  -0.129165
-    1SOL     O4    4  -0.139425   0.026311   0.046549
-    1SOL     H5    5  -0.110264   0.033930   0.137400
-    1SOL     H6    6  -0.062285  -0.004684  -0.000896
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054267   0.007188   0.133922
-    0SOL     H2    2  -0.019418   0.062804   0.108630
-    0SOL     H3    3   0.123938   0.068658   0.156939
-    1SOL     O4    4  -0.050061  -0.011061  -0.138341
-    1SOL     H5    5  -0.030027  -0.025006  -0.045785
-    1SOL     H6    6  -0.135915  -0.051548  -0.150677
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062854  -0.102938   0.084543
-    0SOL     H2    2   0.000888  -0.041808   0.047634
-    0SOL     H3    3  -0.009837  -0.168061   0.130483
-    1SOL     O4    4   0.062207   0.103290  -0.079688
-    1SOL     H5    5   0.057009   0.052566  -0.160696
-    1SOL     H6    6  -0.020504   0.151336  -0.076108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096456  -0.078858  -0.061284
-    0SOL     H2    2  -0.140697  -0.022575  -0.124824
-    0SOL     H3    3  -0.145075  -0.161258  -0.064268
-    1SOL     O4    4   0.100583   0.086348   0.065654
-    1SOL     H5    5   0.183930   0.039280   0.065205
-    1SOL     H6    6   0.034846   0.018911   0.048529
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104711   0.061716   0.072726
-    0SOL     H2    2  -0.035951   0.042221   0.136399
-    0SOL     H3    3  -0.184117   0.071252   0.125318
-    1SOL     O4    4   0.108415  -0.058526  -0.072849
-    1SOL     H5    5   0.026694  -0.032586  -0.115407
-    1SOL     H6    6   0.142067  -0.129918  -0.127006
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091952  -0.118021  -0.034261
-    0SOL     H2    2  -0.125370  -0.069086  -0.109434
-    0SOL     H3    3  -0.045077  -0.052855   0.017879
-    1SOL     O4    4   0.085633   0.108180   0.035960
-    1SOL     H5    5   0.164745   0.101150   0.089385
-    1SOL     H6    6   0.105282   0.177544  -0.027006
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001182   0.099716  -0.116853
-    0SOL     H2    2  -0.027269   0.019863  -0.072396
-    0SOL     H3    3   0.006219   0.165368  -0.047378
-    1SOL     O4    4  -0.003410  -0.101370   0.105260
-    1SOL     H5    5   0.090735  -0.100946   0.122546
-    1SOL     H6    6  -0.042132  -0.059695   0.182241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006291   0.052722  -0.144470
-    0SOL     H2    2   0.026183   0.038990  -0.051852
-    0SOL     H3    3  -0.083220   0.020431  -0.154834
-    1SOL     O4    4  -0.004215  -0.045023   0.136797
-    1SOL     H5    5   0.064419  -0.033995   0.202602
-    1SOL     H6    6  -0.021613  -0.139143   0.135807
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120833   0.049672   0.069712
-    0SOL     H2    2  -0.117946   0.116866   0.001603
-    0SOL     H3    3  -0.193079  -0.007571   0.043905
-    1SOL     O4    4   0.125267  -0.055855  -0.068492
-    1SOL     H5    5   0.155860   0.033742  -0.082590
-    1SOL     H6    6   0.078858  -0.052485   0.015157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089257   0.078667  -0.096186
-    0SOL     H2    2  -0.069318  -0.009112  -0.128738
-    0SOL     H3    3  -0.135857   0.063743  -0.013918
-    1SOL     O4    4   0.083999  -0.074249   0.092501
-    1SOL     H5    5   0.157744  -0.122056   0.130426
-    1SOL     H6    6   0.121685   0.008740   0.063262
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116966   0.088869  -0.041516
-    0SOL     H2    2  -0.050526   0.021641  -0.026405
-    0SOL     H3    3  -0.179950   0.047522  -0.100556
-    1SOL     O4    4   0.114125  -0.087178   0.041198
-    1SOL     H5    5   0.185993  -0.028983   0.016485
-    1SOL     H6    6   0.085656  -0.055146   0.126789
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100681   0.033907   0.113912
-    0SOL     H2    2  -0.123562   0.028924   0.021101
-    0SOL     H3    3  -0.017690  -0.013298   0.120737
-    1SOL     O4    4   0.096020  -0.035055  -0.104254
-    1SOL     H5    5   0.076545   0.058158  -0.113971
-    1SOL     H6    6   0.141220  -0.058699  -0.185248
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050095   0.141175  -0.048606
-    0SOL     H2    2   0.005981   0.128647  -0.125162
-    0SOL     H3    3  -0.056471   0.054246  -0.009045
-    1SOL     O4    4   0.045848  -0.130642   0.046549
-    1SOL     H5    5   0.126595  -0.181353   0.054954
-    1SOL     H6    6  -0.008449  -0.159652   0.119847
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000192  -0.117518   0.090205
-    0SOL     H2    2  -0.034503  -0.160725   0.012156
-    0SOL     H3    3   0.050103  -0.185691   0.135190
-    1SOL     O4    4   0.000204   0.125827  -0.094968
-    1SOL     H5    5  -0.070276   0.157538  -0.038493
-    1SOL     H6    6   0.047164   0.062043  -0.041221
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.064104   0.079714   0.120090
-    0SOL     H2    2   0.051482   0.163576   0.075704
-    0SOL     H3    3   0.038183   0.014152   0.055344
-    1SOL     O4    4  -0.061814  -0.080109  -0.106415
-    1SOL     H5    5  -0.135044  -0.092341  -0.166830
-    1SOL     H6    6   0.014765  -0.070844  -0.163090
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041195  -0.023985  -0.152281
-    0SOL     H2    2   0.046879  -0.060600  -0.160320
-    0SOL     H3    3  -0.054730  -0.014503  -0.057998
-    1SOL     O4    4   0.039667   0.023304   0.141080
-    1SOL     H5    5   0.077417   0.046822   0.225839
-    1SOL     H6    6  -0.053910   0.040971   0.150752
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033773  -0.076653  -0.132464
-    0SOL     H2    2  -0.057060  -0.059879  -0.107360
-    0SOL     H3    3   0.060781  -0.150015  -0.077228
-    1SOL     O4    4  -0.033369   0.080122   0.131157
-    1SOL     H5    5   0.023519   0.006122   0.109943
-    1SOL     H6    6  -0.007055   0.148918   0.070026
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049094   0.139963   0.052145
-    0SOL     H2    2  -0.047559   0.055854   0.097815
-    0SOL     H3    3  -0.140802   0.152306   0.027660
-    1SOL     O4    4   0.047819  -0.135659  -0.054680
-    1SOL     H5    5   0.100893  -0.213464  -0.037598
-    1SOL     H6    6   0.109541  -0.062735  -0.048780
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.130165  -0.077837   0.035022
-    0SOL     H2    2   0.200183  -0.020679   0.003514
-    0SOL     H3    3   0.172761  -0.162368   0.049242
-    1SOL     O4    4  -0.133225   0.084954  -0.035808
-    1SOL     H5    5  -0.208252   0.039972  -0.074665
-    1SOL     H6    6  -0.103191   0.026099   0.033448
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-Generated by ForceBalance from calcs/cluster-02/VLE/630K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024370   0.135876   0.093298
-    0SOL     H2    2   0.056202   0.131383   0.144778
-    0SOL     H3    3  -0.015064   0.066459   0.028052
-    1SOL     O4    4   0.016530  -0.126820  -0.094807
-    1SOL     H5    5   0.108690  -0.148212  -0.109340
-    1SOL     H6    6  -0.015427  -0.196255  -0.037189
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079124  -0.097060  -0.107805
-    0SOL     H2    2  -0.012998  -0.121365  -0.117027
-    0SOL     H3    3   0.106256  -0.136780  -0.025049
-    1SOL     O4    4  -0.070410   0.097591   0.101263
-    1SOL     H5    5  -0.142280   0.130289   0.047153
-    1SOL     H6    6  -0.096267   0.118889   0.190930
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146511   0.067313   0.055684
-    0SOL     H2    2  -0.082719   0.128217   0.018487
-    0SOL     H3    3  -0.111193  -0.019440   0.035967
-    1SOL     O4    4   0.135292  -0.066583  -0.048286
-    1SOL     H5    5   0.204482  -0.001326  -0.037491
-    1SOL     H6    6   0.155806  -0.109821  -0.131184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019494  -0.056024  -0.155647
-    0SOL     H2    2   0.112196  -0.049341  -0.178537
-    0SOL     H3    3  -0.002247   0.029426  -0.118392
-    1SOL     O4    4  -0.029405   0.053737   0.156307
-    1SOL     H5    5  -0.022947  -0.036632   0.125420
-    1SOL     H6    6   0.061276   0.084008   0.161074
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099028   0.136527  -0.053744
-    0SOL     H2    2  -0.130001   0.157799   0.034293
-    0SOL     H3    3  -0.062108   0.048590  -0.045601
-    1SOL     O4    4   0.091357  -0.133335   0.047213
-    1SOL     H5    5   0.140336  -0.153795   0.126867
-    1SOL     H6    6   0.157840  -0.103455  -0.014831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148061  -0.079293   0.050227
-    0SOL     H2    2   0.055004  -0.057330   0.054751
-    0SOL     H3    3   0.149749  -0.174210   0.037978
-    1SOL     O4    4  -0.140043   0.083926  -0.044780
-    1SOL     H5    5  -0.177194   0.004860  -0.083904
-    1SOL     H6    6  -0.161175   0.153637  -0.106879
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140627  -0.082951   0.044565
-    0SOL     H2    2  -0.097272  -0.130394   0.115501
-    0SOL     H3    3  -0.233230  -0.105347   0.053802
-    1SOL     O4    4   0.149320   0.084537  -0.043824
-    1SOL     H5    5   0.057085   0.059734  -0.050145
-    1SOL     H6    6   0.162608   0.146107  -0.115899
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.142173  -0.090815   0.043910
-    0SOL     H2    2   0.185733  -0.008980   0.020077
-    0SOL     H3    3   0.181799  -0.115655   0.127427
-    1SOL     O4    4  -0.149284   0.088323  -0.055065
-    1SOL     H5    5  -0.106080   0.017733  -0.006974
-    1SOL     H6    6  -0.155767   0.159938   0.008113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.163836  -0.054551  -0.020732
-    0SOL     H2    2   0.167356  -0.146304   0.006312
-    0SOL     H3    3   0.194057  -0.055125  -0.111554
-    1SOL     O4    4  -0.172697   0.058024   0.023580
-    1SOL     H5    5  -0.101743   0.001141   0.053449
-    1SOL     H6    6  -0.130688   0.142602   0.007955
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064460  -0.163180  -0.037290
-    0SOL     H2    2   0.024437  -0.195328  -0.022249
-    0SOL     H3    3  -0.064617  -0.134951  -0.128753
-    1SOL     O4    4   0.062918   0.160420   0.044782
-    1SOL     H5    5  -0.032752   0.159307   0.041906
-    1SOL     H6    6   0.088189   0.224329  -0.021846
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.145628   0.074865  -0.062317
-    0SOL     H2    2  -0.209628   0.036729  -0.122417
-    0SOL     H3    3  -0.195151   0.091964   0.017792
-    1SOL     O4    4   0.152543  -0.078306   0.066480
-    1SOL     H5    5   0.219584  -0.016715   0.036912
-    1SOL     H6    6   0.077091  -0.060414   0.010363
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060790  -0.071002   0.153291
-    0SOL     H2    2   0.132835  -0.133062   0.142315
-    0SOL     H3    3   0.100766   0.014865   0.139467
-    1SOL     O4    4  -0.073223   0.072698  -0.153362
-    1SOL     H5    5  -0.013368   0.096723  -0.082634
-    1SOL     H6    6  -0.028362   0.002037  -0.199804
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.178599  -0.005217   0.035902
-    0SOL     H2    2   0.100087  -0.021252  -0.016453
-    0SOL     H3    3   0.240556  -0.072401   0.007444
-    1SOL     O4    4  -0.173812   0.012855  -0.036343
-    1SOL     H5    5  -0.215514   0.056449   0.037972
-    1SOL     H6    6  -0.190820  -0.080270  -0.022169
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102860   0.025617  -0.141240
-    0SOL     H2    2   0.113224   0.075178  -0.222472
-    0SOL     H3    3   0.191534  -0.002679  -0.118912
-    1SOL     O4    4  -0.113334  -0.028942   0.147135
-    1SOL     H5    5  -0.067310  -0.064236   0.070987
-    1SOL     H6    6  -0.060536   0.046086   0.174438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.170412   0.054082   0.048189
-    0SOL     H2    2   0.097384   0.053331   0.110065
-    0SOL     H3    3   0.216471  -0.028242   0.064425
-    1SOL     O4    4  -0.170267  -0.044098  -0.049981
-    1SOL     H5    5  -0.211912  -0.127935  -0.029994
-    1SOL     H6    6  -0.103689  -0.065362  -0.115384
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.147893   0.089529  -0.053366
-    0SOL     H2    2   0.230275   0.120171  -0.091268
-    0SOL     H3    3   0.173551   0.018862   0.005881
-    1SOL     O4    4  -0.151979  -0.092708   0.050752
-    1SOL     H5    5  -0.113274  -0.007386   0.031143
-    1SOL     H6    6  -0.234798  -0.072100   0.094095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.136681  -0.069293   0.103770
-    0SOL     H2    2   0.144854  -0.162932   0.121858
-    0SOL     H3    3   0.066945  -0.039559   0.162209
-    1SOL     O4    4  -0.136758   0.069824  -0.113723
-    1SOL     H5    5  -0.177374   0.095121  -0.030821
-    1SOL     H6    6  -0.043146   0.084350  -0.100001
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.160257  -0.107133   0.020911
-    0SOL     H2    2   0.152616  -0.086419  -0.072229
-    0SOL     H3    3   0.070476  -0.103036   0.053850
-    1SOL     O4    4  -0.154062   0.105284  -0.023434
-    1SOL     H5    5  -0.235754   0.126290   0.021815
-    1SOL     H6    6  -0.090212   0.092939   0.046802
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.091593   0.128417   0.119677
-    0SOL     H2    2   0.038221   0.066419   0.169376
-    0SOL     H3    3   0.084029   0.099171   0.028849
-    1SOL     O4    4  -0.089197  -0.125150  -0.111665
-    1SOL     H5    5  -0.008344  -0.137268  -0.161446
-    1SOL     H6    6  -0.145479  -0.073641  -0.169471
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131424   0.072872   0.130403
-    0SOL     H2    2   0.081233  -0.007379   0.144651
-    0SOL     H3    3   0.079913   0.141301   0.173140
-    1SOL     O4    4  -0.124699  -0.079386  -0.132935
-    1SOL     H5    5  -0.202858  -0.027203  -0.114761
-    1SOL     H6    6  -0.059940  -0.015810  -0.163378
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028355   0.173683   0.097746
-    0SOL     H2    2   0.043716   0.133875   0.146566
-    0SOL     H3    3   0.012661   0.244149   0.047600
-    1SOL     O4    4   0.027607  -0.177607  -0.096411
-    1SOL     H5    5   0.006049  -0.112536  -0.163219
-    1SOL     H6    6  -0.056290  -0.198575  -0.055376
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.155098   0.085164  -0.114747
-    0SOL     H2    2   0.216909   0.014189  -0.097307
-    0SOL     H3    3   0.078470   0.063884  -0.061477
-    1SOL     O4    4  -0.147816  -0.079885   0.110199
-    1SOL     H5    5  -0.199543  -0.067777   0.189823
-    1SOL     H6    6  -0.212639  -0.096582   0.041777
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128608   0.084937  -0.148490
-    0SOL     H2    2  -0.035671   0.064204  -0.158242
-    0SOL     H3    3  -0.156205   0.035676  -0.071198
-    1SOL     O4    4   0.118655  -0.080876   0.143805
-    1SOL     H5    5   0.172439  -0.152168   0.178256
-    1SOL     H6    6   0.181274  -0.011644   0.122635
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088332   0.182419   0.036071
-    0SOL     H2    2   0.031175   0.230357   0.096049
-    0SOL     H3    3   0.163111   0.156376   0.089850
-    1SOL     O4    4  -0.094815  -0.187226  -0.041978
-    1SOL     H5    5  -0.030446  -0.191519   0.028737
-    1SOL     H6    6  -0.060605  -0.120574  -0.101556
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.193074   0.028834   0.089858
-    0SOL     H2    2   0.227048  -0.041479   0.034504
-    0SOL     H3    3   0.115819   0.060844   0.043282
-    1SOL     O4    4  -0.191573  -0.032214  -0.080756
-    1SOL     H5    5  -0.109184   0.012488  -0.100147
-    1SOL     H6    6  -0.258632   0.021932  -0.122392
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139047   0.118497  -0.103532
-    0SOL     H2    2   0.199125   0.156523  -0.167618
-    0SOL     H3    3   0.193721   0.100666  -0.027013
-    1SOL     O4    4  -0.142613  -0.123027   0.107451
-    1SOL     H5    5  -0.232492  -0.090115   0.108352
-    1SOL     H6    6  -0.109148  -0.099074   0.021030
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.168717  -0.134632   0.037241
-    0SOL     H2    2   0.236830  -0.075618   0.069494
-    0SOL     H3    3   0.093789  -0.077630   0.019956
-    1SOL     O4    4  -0.171348   0.123553  -0.042510
-    1SOL     H5    5  -0.190730   0.141387   0.049515
-    1SOL     H6    6  -0.100663   0.184287  -0.064355
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.188289  -0.039092  -0.106423
-    0SOL     H2    2   0.134666  -0.079142  -0.174854
-    0SOL     H3    3   0.198368  -0.107796  -0.040541
-    1SOL     O4    4  -0.186200   0.045950   0.113666
-    1SOL     H5    5  -0.251682  -0.006215   0.067262
-    1SOL     H6    6  -0.120186   0.066113   0.047349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096292  -0.203834   0.033881
-    0SOL     H2    2  -0.097026  -0.129376   0.094030
-    0SOL     H3    3  -0.102665  -0.164457  -0.053132
-    1SOL     O4    4   0.093991   0.193586  -0.025972
-    1SOL     H5    5   0.121827   0.152195  -0.107668
-    1SOL     H6    6   0.109255   0.287034  -0.039997
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038015  -0.201307   0.096603
-    0SOL     H2    2  -0.089792  -0.254546   0.036211
-    0SOL     H3    3  -0.012719  -0.124560   0.045296
-    1SOL     O4    4   0.038988   0.199217  -0.083204
-    1SOL     H5    5   0.096191   0.150982  -0.142899
-    1SOL     H6    6  -0.007581   0.261155  -0.139395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.176410  -0.137754  -0.055179
-    0SOL     H2    2   0.102326  -0.082788  -0.080726
-    0SOL     H3    3   0.206167  -0.100800   0.027955
-    1SOL     O4    4  -0.171496   0.135297   0.046116
-    1SOL     H5    5  -0.171470   0.167100   0.136398
-    1SOL     H6    6  -0.214556   0.049935   0.050753
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001719  -0.014582  -0.225543
-    0SOL     H2    2   0.072723   0.006944  -0.281734
-    0SOL     H3    3   0.036771  -0.028555  -0.139023
-    1SOL     O4    4  -0.003766   0.019521   0.224436
-    1SOL     H5    5  -0.087941  -0.025910   0.228056
-    1SOL     H6    6   0.060910  -0.050466   0.215434
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137948   0.011960  -0.185887
-    0SOL     H2    2   0.064468  -0.042778  -0.158195
-    0SOL     H3    3   0.119818   0.097719  -0.147429
-    1SOL     O4    4  -0.136388  -0.009909   0.186894
-    1SOL     H5    5  -0.074313  -0.080108   0.206416
-    1SOL     H6    6  -0.137909  -0.005112   0.091307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070326   0.103744  -0.184650
-    0SOL     H2    2  -0.088750   0.153657  -0.264222
-    0SOL     H3    3  -0.120903   0.147859  -0.116399
-    1SOL     O4    4   0.072662  -0.102455   0.183847
-    1SOL     H5    5   0.144583  -0.158196   0.154137
-    1SOL     H6    6   0.020804  -0.158776   0.241302
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110328  -0.041816  -0.186592
-    0SOL     H2    2  -0.171879  -0.100493  -0.230533
-    0SOL     H3    3  -0.060592  -0.001538  -0.257770
-    1SOL     O4    4   0.110229   0.040419   0.188490
-    1SOL     H5    5   0.136781  -0.000050   0.271071
-    1SOL     H6    6   0.105345   0.133982   0.208094
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086824   0.161791   0.135262
-    0SOL     H2    2  -0.167111   0.125872   0.097498
-    0SOL     H3    3  -0.062908   0.233729   0.076822
-    1SOL     O4    4   0.094717  -0.164890  -0.134122
-    1SOL     H5    5   0.065367  -0.078099  -0.106403
-    1SOL     H6    6   0.032952  -0.225371  -0.093020
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075365   0.172694  -0.133046
-    0SOL     H2    2  -0.134345   0.207823  -0.199752
-    0SOL     H3    3  -0.132765   0.125507  -0.072706
-    1SOL     O4    4   0.086836  -0.170329   0.137074
-    1SOL     H5    5   0.063786  -0.257019   0.103667
-    1SOL     H6    6   0.014009  -0.114207   0.110449
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105199   0.109135  -0.192653
-    0SOL     H2    2   0.187959   0.061521  -0.185873
-    0SOL     H3    3   0.051433   0.055617  -0.251025
-    1SOL     O4    4  -0.111490  -0.102400   0.190256
-    1SOL     H5    5  -0.129746  -0.145477   0.273763
-    1SOL     H6    6  -0.017105  -0.086526   0.191570
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.103850   0.055147   0.219602
-    0SOL     H2    2   0.173790   0.120470   0.221501
-    0SOL     H3    3   0.037452   0.092752   0.161815
-    1SOL     O4    4  -0.102292  -0.056439  -0.220984
-    1SOL     H5    5  -0.045511  -0.114966  -0.170856
-    1SOL     H6    6  -0.190784  -0.077553  -0.191226
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.225567  -0.114622   0.028479
-    0SOL     H2    2  -0.151744  -0.075107   0.074857
-    0SOL     H3    3  -0.221114  -0.077605  -0.059681
-    1SOL     O4    4   0.215973   0.109608  -0.022422
-    1SOL     H5    5   0.276618   0.041302  -0.051034
-    1SOL     H6    6   0.255254   0.191155  -0.053557
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.243179   0.041607   0.044608
-    0SOL     H2    2   0.305499  -0.014478   0.090793
-    0SOL     H3    3   0.168120   0.047811   0.103684
-    1SOL     O4    4  -0.246461  -0.043460  -0.046995
-    1SOL     H5    5  -0.162307  -0.056761  -0.090625
-    1SOL     H6    6  -0.266763   0.048924  -0.061669
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106490   0.073482   0.215819
-    0SOL     H2    2   0.085554   0.143932   0.277144
-    0SOL     H3    3   0.076608   0.105939   0.130872
-    1SOL     O4    4  -0.109174  -0.077935  -0.210549
-    1SOL     H5    5  -0.064655  -0.010853  -0.262322
-    1SOL     H6    6  -0.060376  -0.158328  -0.228384
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.145739  -0.009172   0.206069
-    0SOL     H2    2   0.163541   0.055595   0.137873
-    0SOL     H3    3   0.204151  -0.082201   0.185644
-    1SOL     O4    4  -0.156717   0.012870  -0.200589
-    1SOL     H5    5  -0.133029  -0.079494  -0.192216
-    1SOL     H6    6  -0.074952   0.056547  -0.224443
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149732  -0.188519   0.084806
-    0SOL     H2    2   0.111279  -0.101106   0.078269
-    0SOL     H3    3   0.236450  -0.173826   0.122575
-    1SOL     O4    4  -0.153680   0.182931  -0.079926
-    1SOL     H5    5  -0.179611   0.112943  -0.139856
-    1SOL     H6    6  -0.109132   0.246857  -0.135525
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054840   0.066109  -0.237505
-    0SOL     H2    2  -0.121703   0.003115  -0.210609
-    0SOL     H3    3  -0.103547   0.134915  -0.282844
-    1SOL     O4    4   0.062231  -0.060281   0.238446
-    1SOL     H5    5   0.088065  -0.120015   0.168255
-    1SOL     H6    6   0.029709  -0.117530   0.307924
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065734   0.208853  -0.132439
-    0SOL     H2    2   0.119253   0.282838  -0.161151
-    0SOL     H3    3  -0.019188   0.222998  -0.174277
-    1SOL     O4    4  -0.064947  -0.219435   0.137311
-    1SOL     H5    5  -0.020334  -0.160408   0.198038
-    1SOL     H6    6  -0.082956  -0.165514   0.060301
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.216025   0.125967   0.097834
-    0SOL     H2    2   0.167511   0.182431   0.037664
-    0SOL     H3    3   0.258224   0.061283   0.041287
-    1SOL     O4    4  -0.211708  -0.130159  -0.093612
-    1SOL     H5    5  -0.228904  -0.112210  -0.001176
-    1SOL     H6    6  -0.264519  -0.065760  -0.140793
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026423   0.130983  -0.226672
-    0SOL     H2    2   0.022425   0.206491  -0.193888
-    0SOL     H3    3  -0.103900   0.168757  -0.268299
-    1SOL     O4    4   0.028809  -0.132115   0.223620
-    1SOL     H5    5   0.018664  -0.224747   0.201741
-    1SOL     H6    6   0.027940  -0.129823   0.319309
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058781   0.250081  -0.076266
-    0SOL     H2    2  -0.035879   0.287149  -0.161494
-    0SOL     H3    3  -0.016675   0.308045  -0.012788
-    1SOL     O4    4   0.055950  -0.260465   0.073933
-    1SOL     H5    5   0.021671  -0.174797   0.048472
-    1SOL     H6    6   0.074735  -0.251982   0.167407
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139655   0.171368   0.184089
-    0SOL     H2    2   0.065891   0.160552   0.244125
-    0SOL     H3    3   0.148385   0.086233   0.141214
-    1SOL     O4    4  -0.131220  -0.167336  -0.188389
-    1SOL     H5    5  -0.141095  -0.185116  -0.094855
-    1SOL     H6    6  -0.216782  -0.134227  -0.215689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058877   0.020166  -0.289852
-    0SOL     H2    2  -0.005098  -0.001556  -0.222046
-    0SOL     H3    3   0.021445   0.095952  -0.334770
-    1SOL     O4    4  -0.060144  -0.025464   0.290113
-    1SOL     H5    5   0.018334  -0.076299   0.269637
-    1SOL     H6    6  -0.030269   0.065470   0.291044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.281843  -0.140582  -0.035341
-    0SOL     H2    2   0.246396  -0.060543   0.003383
-    0SOL     H3    3   0.362323  -0.157361   0.013687
-    1SOL     O4    4  -0.288878   0.133772   0.026884
-    1SOL     H5    5  -0.199867   0.152052  -0.003200
-    1SOL     H6    6  -0.292756   0.171573   0.114739
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056614   0.130661   0.281930
-    0SOL     H2    2   0.110526   0.196792   0.238541
-    0SOL     H3    3   0.037780   0.167820   0.368109
-    1SOL     O4    4  -0.059175  -0.133727  -0.280752
-    1SOL     H5    5  -0.119866  -0.154398  -0.351827
-    1SOL     H6    6   0.019138  -0.185161  -0.300345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020788  -0.117002   0.319518
-    0SOL     H2    2   0.039187  -0.182090   0.387248
-    0SOL     H3    3   0.102983  -0.108799   0.271156
-    1SOL     O4    4  -0.032361   0.118274  -0.321372
-    1SOL     H5    5  -0.007046   0.178557  -0.251462
-    1SOL     H6    6   0.049902   0.096381  -0.365142
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010529  -0.141853   0.318455
-    0SOL     H2    2  -0.032847  -0.096794   0.237006
-    0SOL     H3    3  -0.058093  -0.093851   0.386247
-    1SOL     O4    4   0.018120   0.134556  -0.323657
-    1SOL     H5    5   0.049753   0.187904  -0.250748
-    1SOL     H6    6  -0.075061   0.122114  -0.305631
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078192   0.210339  -0.277485
-    0SOL     H2    2   0.116538   0.215517  -0.189934
-    0SOL     H3    3  -0.013934   0.232964  -0.264711
-    1SOL     O4    4  -0.070067  -0.212242   0.274549
-    1SOL     H5    5  -0.149052  -0.166229   0.302948
-    1SOL     H6    6  -0.093629  -0.250431   0.189999
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.207498   0.276746   0.160683
-    0SOL     H2    2  -0.274677   0.305174   0.222660
-    0SOL     H3    3  -0.238899   0.192318   0.128308
-    1SOL     O4    4   0.210358  -0.276268  -0.157356
-    1SOL     H5    5   0.289334  -0.304843  -0.203276
-    1SOL     H6    6   0.186284  -0.193989  -0.199935
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074174   0.057216   0.389114
-    0SOL     H2    2   0.125074  -0.004396   0.441796
-    0SOL     H3    3   0.081968   0.140590   0.435486
-    1SOL     O4    4  -0.075322  -0.054273  -0.391744
-    1SOL     H5    5  -0.040079  -0.092036  -0.472331
-    1SOL     H6    6  -0.159817  -0.097653  -0.379863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050332   0.091016   0.092865
-    0SOL     H2    2   0.083417   0.134182   0.014097
-    0SOL     H3    3  -0.009392   0.023774   0.060093
-    1SOL     O4    4  -0.046031  -0.091658  -0.081029
-    1SOL     H5    5  -0.009084  -0.040216  -0.152800
-    1SOL     H6    6  -0.136353  -0.108707  -0.107741
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.114816  -0.079989  -0.021652
-    0SOL     H2    2   0.122179   0.011878  -0.047507
-    0SOL     H3    3   0.023895  -0.089745   0.006639
-    1SOL     O4    4  -0.105508   0.074176   0.025429
-    1SOL     H5    5  -0.114170   0.150014  -0.032329
-    1SOL     H6    6  -0.181544   0.019707   0.005084
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004359  -0.125684  -0.026351
-    0SOL     H2    2  -0.062560  -0.149228  -0.098605
-    0SOL     H3    3   0.038954  -0.207707  -0.002719
-    1SOL     O4    4   0.004510   0.134173   0.023601
-    1SOL     H5    5  -0.024062   0.174720   0.105467
-    1SOL     H6    6   0.045138   0.051791   0.050524
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118816   0.056219  -0.045569
-    0SOL     H2    2  -0.132610   0.007720  -0.126932
-    0SOL     H3    3  -0.026160   0.080182  -0.047329
-    1SOL     O4    4   0.118081  -0.058037   0.044316
-    1SOL     H5    5   0.136106   0.025907   0.086634
-    1SOL     H6    6   0.042721  -0.093139   0.091761
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076055  -0.108746  -0.044610
-    0SOL     H2    2  -0.006452  -0.157106  -0.089097
-    0SOL     H3    3  -0.074479  -0.021926  -0.084886
-    1SOL     O4    4   0.077139   0.109996   0.045950
-    1SOL     H5    5   0.067543   0.016304   0.063041
-    1SOL     H6    6  -0.001008   0.149559   0.084552
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039607  -0.062967   0.108995
-    0SOL     H2    2   0.025938  -0.153287   0.080399
-    0SOL     H3    3   0.087834  -0.070889   0.191298
-    1SOL     O4    4  -0.042427   0.074633  -0.113992
-    1SOL     H5    5  -0.056013  -0.007506  -0.161225
-    1SOL     H6    6  -0.012635   0.047707  -0.027103
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079913  -0.083143  -0.085663
-    0SOL     H2    2   0.019147  -0.027285  -0.037189
-    0SOL     H3    3   0.028328  -0.160422  -0.108667
-    1SOL     O4    4  -0.075801   0.078835   0.081178
-    1SOL     H5    5  -0.013924   0.080393   0.154193
-    1SOL     H6    6  -0.088873   0.170987   0.058829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016637   0.078198  -0.111438
-    0SOL     H2    2   0.080674   0.007334  -0.117760
-    0SOL     H3    3   0.062377   0.155000  -0.145668
-    1SOL     O4    4  -0.027418  -0.083963   0.112566
-    1SOL     H5    5   0.027625  -0.069053   0.189444
-    1SOL     H6    6  -0.011663  -0.007886   0.056652
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128431  -0.022410   0.034187
-    0SOL     H2    2   0.165341  -0.110432   0.026973
-    0SOL     H3    3   0.171003   0.015226   0.111216
-    1SOL     O4    4  -0.138682   0.023348  -0.034734
-    1SOL     H5    5  -0.136301   0.049959  -0.126649
-    1SOL     H6    6  -0.047593   0.028740  -0.005821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.147030  -0.008853   0.000703
-    0SOL     H2    2   0.097745   0.047912   0.059958
-    0SOL     H3    3   0.080864  -0.065832  -0.038512
-    1SOL     O4    4  -0.140060   0.006481   0.003841
-    1SOL     H5    5  -0.154050  -0.037094  -0.080230
-    1SOL     H6    6  -0.139026   0.099813  -0.017382
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044496  -0.125587   0.067467
-    0SOL     H2    2  -0.107456  -0.065167   0.028125
-    0SOL     H3    3   0.040849  -0.093992   0.037798
-    1SOL     O4    4   0.040389   0.125252  -0.060223
-    1SOL     H5    5   0.005763   0.081675  -0.138098
-    1SOL     H6    6   0.122388   0.079519  -0.041594
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070261   0.016699  -0.127208
-    0SOL     H2    2  -0.101888   0.106887  -0.132514
-    0SOL     H3    3  -0.033195   0.009401  -0.039258
-    1SOL     O4    4   0.066747  -0.019042   0.117274
-    1SOL     H5    5   0.142733  -0.077246   0.118159
-    1SOL     H6    6   0.048169  -0.002422   0.209691
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020639   0.133436  -0.053030
-    0SOL     H2    2   0.050503   0.205117   0.002936
-    0SOL     H3    3   0.009947   0.059306   0.006574
-    1SOL     O4    4  -0.022683  -0.128326   0.048657
-    1SOL     H5    5   0.061878  -0.163637   0.021001
-    1SOL     H6    6  -0.084840  -0.199235   0.032204
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130330   0.047564  -0.016486
-    0SOL     H2    2  -0.138640   0.129780  -0.064795
-    0SOL     H3    3  -0.147978   0.071328   0.074543
-    1SOL     O4    4   0.135308  -0.059545   0.011621
-    1SOL     H5    5   0.174236   0.023015   0.040446
-    1SOL     H6    6   0.040998  -0.046220   0.021129
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115352   0.070557  -0.060188
-    0SOL     H2    2  -0.186532   0.006563  -0.059615
-    0SOL     H3    3  -0.037532   0.020108  -0.036496
-    1SOL     O4    4   0.110193  -0.059602   0.057803
-    1SOL     H5    5   0.184764  -0.073177  -0.000654
-    1SOL     H6    6   0.130906  -0.111439   0.135561
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.144099   0.019701  -0.007427
-    0SOL     H2    2  -0.134580   0.058500   0.079558
-    0SOL     H3    3  -0.114797   0.088154  -0.067575
-    1SOL     O4    4   0.147803  -0.023644   0.004380
-    1SOL     H5    5   0.069610   0.023771   0.032663
-    1SOL     H6    6   0.122417  -0.115880   0.007608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020103  -0.135114   0.053294
-    0SOL     H2    2  -0.072751  -0.141267   0.030872
-    0SOL     H3    3   0.065832  -0.150885  -0.029304
-    1SOL     O4    4  -0.023518   0.136873  -0.050597
-    1SOL     H5    5  -0.002447   0.082287   0.025158
-    1SOL     H6    6   0.057899   0.183258  -0.070141
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066474  -0.104611   0.068857
-    0SOL     H2    2   0.141583  -0.138204   0.117769
-    0SOL     H3    3  -0.004406  -0.101174   0.133095
-    1SOL     O4    4  -0.070518   0.104981  -0.079338
-    1SOL     H5    5  -0.053255   0.193602  -0.047547
-    1SOL     H6    6  -0.003280   0.051036  -0.037728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047711   0.128789  -0.046210
-    0SOL     H2    2   0.063988   0.057411  -0.107874
-    0SOL     H3    3   0.118951   0.190766  -0.061892
-    1SOL     O4    4  -0.053733  -0.130818   0.045985
-    1SOL     H5    5  -0.097368  -0.050245   0.073666
-    1SOL     H6    6   0.008818  -0.149502   0.115989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.107093   0.073924  -0.079377
-    0SOL     H2    2   0.176196   0.007718  -0.081361
-    0SOL     H3    3   0.026092   0.023795  -0.069989
-    1SOL     O4    4  -0.104378  -0.067270   0.072143
-    1SOL     H5    5  -0.093574  -0.138824   0.134797
-    1SOL     H6    6  -0.151587   0.000307   0.120795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012086   0.142530   0.006011
-    0SOL     H2    2  -0.088356   0.161450  -0.048644
-    0SOL     H3    3   0.026998   0.228208   0.023160
-    1SOL     O4    4   0.009823  -0.151815   0.000119
-    1SOL     H5    5   0.084347  -0.179848  -0.053010
-    1SOL     H6    6   0.002282  -0.057900  -0.016775
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035890   0.073659   0.132221
-    0SOL     H2    2   0.094697   0.051385   0.060055
-    0SOL     H3    3  -0.048982   0.088181   0.090410
-    1SOL     O4    4  -0.032355  -0.068012  -0.123843
-    1SOL     H5    5  -0.108326  -0.114633  -0.088955
-    1SOL     H6    6   0.000805  -0.124814  -0.193386
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112447   0.025406  -0.097824
-    0SOL     H2    2   0.059776   0.029081  -0.017983
-    0SOL     H3    3   0.177352   0.094919  -0.086977
-    1SOL     O4    4  -0.109015  -0.030856   0.096925
-    1SOL     H5    5  -0.196601   0.007037   0.104355
-    1SOL     H6    6  -0.103533  -0.061028   0.006251
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047826   0.080044  -0.116817
-    0SOL     H2    2   0.010112   0.097919  -0.030675
-    0SOL     H3    3   0.035499   0.161378  -0.165758
-    1SOL     O4    4  -0.045114  -0.081695   0.109801
-    1SOL     H5    5   0.023880  -0.142643   0.136023
-    1SOL     H6    6  -0.113538  -0.093083   0.175762
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024005   0.045666   0.133701
-    0SOL     H2    2   0.078407   0.117837   0.165230
-    0SOL     H3    3  -0.021290   0.013862   0.211798
-    1SOL     O4    4  -0.030177  -0.052539  -0.140405
-    1SOL     H5    5   0.030022  -0.029594  -0.211200
-    1SOL     H6    6   0.000791  -0.002000  -0.065244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047463   0.134255   0.056138
-    0SOL     H2    2  -0.000372   0.052529   0.042175
-    0SOL     H3    3  -0.019936   0.202187   0.053947
-    1SOL     O4    4  -0.040185  -0.126992  -0.054319
-    1SOL     H5    5   0.000972  -0.203436  -0.014010
-    1SOL     H6    6  -0.108344  -0.163419  -0.110796
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.089242   0.114044  -0.007057
-    0SOL     H2    2   0.151941   0.099149  -0.077833
-    0SOL     H3    3   0.123307   0.190426   0.039502
-    1SOL     O4    4  -0.096061  -0.124490   0.007883
-    1SOL     H5    5  -0.164014  -0.060548   0.029242
-    1SOL     H6    6  -0.015715  -0.072866   0.001410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052770   0.079722  -0.133778
-    0SOL     H2    2   0.118229   0.010191  -0.127225
-    0SOL     H3    3  -0.025746   0.042638  -0.093501
-    1SOL     O4    4  -0.046995  -0.070395   0.132115
-    1SOL     H5    5  -0.046056  -0.166047   0.128644
-    1SOL     H6    6  -0.139558  -0.047034   0.125142
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128539   0.078601   0.072215
-    0SOL     H2    2  -0.059275   0.090010   0.137290
-    0SOL     H3    3  -0.081959   0.065943  -0.010444
-    1SOL     O4    4   0.121754  -0.075428  -0.066358
-    1SOL     H5    5   0.110665  -0.170102  -0.075093
-    1SOL     H6    6   0.126970  -0.043465  -0.156433
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063769  -0.010796  -0.157459
-    0SOL     H2    2  -0.129168   0.046076  -0.116828
-    0SOL     H3    3   0.018007   0.010847  -0.112665
-    1SOL     O4    4   0.059951   0.004706   0.157215
-    1SOL     H5    5   0.149555   0.038022   0.152368
-    1SOL     H6    6   0.031697  -0.001527   0.065973
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021471  -0.097294  -0.132326
-    0SOL     H2    2  -0.041758  -0.169088  -0.135472
-    0SOL     H3    3  -0.031942  -0.018030  -0.137482
-    1SOL     O4    4  -0.022339   0.097578   0.131964
-    1SOL     H5    5   0.037375   0.033399   0.093524
-    1SOL     H6    6   0.033639   0.152705   0.186643
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034090  -0.096931  -0.134361
-    0SOL     H2    2   0.019468  -0.011849  -0.093013
-    0SOL     H3    3   0.121846  -0.122610  -0.106046
-    1SOL     O4    4  -0.037215   0.092363   0.124257
-    1SOL     H5    5  -0.033985   0.176169   0.170392
-    1SOL     H6    6  -0.065292   0.029452   0.190712
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104152   0.082596   0.103141
-    0SOL     H2    2   0.039022   0.115399   0.041138
-    0SOL     H3    3   0.126752   0.158652   0.156687
-    1SOL     O4    4  -0.104490  -0.084498  -0.107861
-    1SOL     H5    5  -0.145766  -0.114910  -0.027030
-    1SOL     H6    6  -0.018373  -0.126285  -0.108028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022087  -0.013697   0.172337
-    0SOL     H2    2  -0.024735  -0.105289   0.200020
-    0SOL     H3    3   0.050608  -0.009497   0.110207
-    1SOL     O4    4   0.023818   0.020405  -0.167885
-    1SOL     H5    5   0.008030  -0.064768  -0.208610
-    1SOL     H6    6  -0.060347   0.065651  -0.173478
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037502  -0.166712  -0.032702
-    0SOL     H2    2   0.007652  -0.246871   0.010260
-    0SOL     H3    3   0.021600  -0.097649   0.031638
-    1SOL     O4    4  -0.028502   0.167370   0.027639
-    1SOL     H5    5  -0.100093   0.199412   0.082505
-    1SOL     H6    6  -0.071924   0.129797  -0.048945
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103652  -0.062358  -0.115503
-    0SOL     H2    2  -0.062935  -0.061773  -0.202129
-    0SOL     H3    3  -0.189492  -0.102296  -0.129603
-    1SOL     O4    4   0.112144   0.068334   0.120830
-    1SOL     H5    5   0.104082  -0.026684   0.129134
-    1SOL     H6    6   0.021886   0.099651   0.114917
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055113  -0.114556   0.108136
-    0SOL     H2    2   0.008371  -0.198076   0.106767
-    0SOL     H3    3   0.118866  -0.123892   0.178922
-    1SOL     O4    4  -0.062048   0.117485  -0.114280
-    1SOL     H5    5   0.001020   0.081065  -0.052163
-    1SOL     H6    6  -0.023103   0.200339  -0.142223
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134406   0.106672   0.046807
-    0SOL     H2    2  -0.087463   0.130652  -0.033091
-    0SOL     H3    3  -0.076235   0.133713   0.117851
-    1SOL     O4    4   0.127852  -0.103713  -0.049611
-    1SOL     H5    5   0.173801  -0.121722   0.032406
-    1SOL     H6    6   0.096934  -0.189366  -0.079105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.064157   0.045550   0.160008
-    0SOL     H2    2   0.021144  -0.030961   0.121819
-    0SOL     H3    3   0.143693   0.010742   0.200315
-    1SOL     O4    4  -0.061578  -0.041744  -0.161603
-    1SOL     H5    5  -0.114868  -0.049968  -0.082515
-    1SOL     H6    6  -0.107762   0.022853  -0.215051
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.136571  -0.085254  -0.071562
-    0SOL     H2    2   0.132788  -0.080454  -0.167086
-    0SOL     H3    3   0.221096  -0.046463  -0.048912
-    1SOL     O4    4  -0.138156   0.087347   0.079210
-    1SOL     H5    5  -0.101226   0.036812   0.006790
-    1SOL     H6    6  -0.227794   0.054902   0.087860
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108160   0.115665  -0.076829
-    0SOL     H2    2   0.107463   0.199651  -0.030915
-    0SOL     H3    3   0.200541   0.090802  -0.079978
-    1SOL     O4    4  -0.116583  -0.124182   0.072104
-    1SOL     H5    5  -0.030462  -0.118659   0.113515
-    1SOL     H6    6  -0.147218  -0.033578   0.068258
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149437   0.090083  -0.058519
-    0SOL     H2    2   0.129089   0.163213  -0.116831
-    0SOL     H3    3   0.065927   0.044800  -0.046774
-    1SOL     O4    4  -0.143571  -0.090199   0.067327
-    1SOL     H5    5  -0.157872  -0.031617  -0.007009
-    1SOL     H6    6  -0.117430  -0.173317   0.027699
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137061   0.032767   0.120090
-    0SOL     H2    2  -0.135932  -0.041239   0.059392
-    0SOL     H3    3  -0.087479   0.002248   0.196068
-    1SOL     O4    4   0.128875  -0.024058  -0.117680
-    1SOL     H5    5   0.131335  -0.092474  -0.184580
-    1SOL     H6    6   0.217115   0.013036  -0.118033
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140462  -0.016000  -0.120983
-    0SOL     H2    2  -0.225093  -0.012988  -0.076366
-    0SOL     H3    3  -0.076648   0.005179  -0.052855
-    1SOL     O4    4   0.137118   0.019278   0.111130
-    1SOL     H5    5   0.123601  -0.014747   0.199572
-    1SOL     H6    6   0.220290  -0.018961   0.083157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061002  -0.112761   0.127963
-    0SOL     H2    2   0.125495  -0.153453   0.070108
-    0SOL     H3    3   0.008422  -0.185847   0.160461
-    1SOL     O4    4  -0.057681   0.119597  -0.132046
-    1SOL     H5    5  -0.042705   0.083637  -0.044611
-    1SOL     H6    6  -0.144316   0.159971  -0.126874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102590  -0.114470   0.096890
-    0SOL     H2    2   0.074131  -0.180911   0.159643
-    0SOL     H3    3   0.167149  -0.062409   0.144682
-    1SOL     O4    4  -0.109236   0.115745  -0.107789
-    1SOL     H5    5  -0.125381   0.132612  -0.014960
-    1SOL     H6    6  -0.016454   0.092628  -0.112198
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059878  -0.164932   0.053451
-    0SOL     H2    2   0.140135  -0.194311   0.096555
-    0SOL     H3    3  -0.010186  -0.189513   0.113859
-    1SOL     O4    4  -0.057035   0.167769  -0.052730
-    1SOL     H5    5  -0.069073   0.093531  -0.111943
-    1SOL     H6    6  -0.092573   0.242655  -0.100599
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000431  -0.126796  -0.141800
-    0SOL     H2    2   0.039339  -0.101324  -0.058135
-    0SOL     H3    3   0.069102  -0.109953  -0.206320
-    1SOL     O4    4  -0.006584   0.118215   0.139815
-    1SOL     H5    5  -0.041430   0.195609   0.095563
-    1SOL     H6    6   0.055126   0.153097   0.204138
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.186936  -0.030880  -0.040440
-    0SOL     H2    2  -0.162816  -0.099173  -0.103022
-    0SOL     H3    3  -0.103883   0.010409  -0.016781
-    1SOL     O4    4   0.181923   0.026282   0.042784
-    1SOL     H5    5   0.175907   0.090454   0.113551
-    1SOL     H6    6   0.173478   0.078016  -0.037307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039635  -0.151012  -0.099335
-    0SOL     H2    2  -0.047285  -0.078921  -0.161838
-    0SOL     H3    3  -0.080841  -0.225378  -0.143312
-    1SOL     O4    4   0.043240   0.155091   0.110264
-    1SOL     H5    5  -0.038536   0.142773   0.062064
-    1SOL     H6    6   0.103586   0.091530   0.071784
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128166  -0.135895   0.037010
-    0SOL     H2    2   0.194227  -0.069633   0.057197
-    0SOL     H3    3   0.076157  -0.143095   0.117044
-    1SOL     O4    4  -0.135101   0.131503  -0.042047
-    1SOL     H5    5  -0.076611   0.204728  -0.022571
-    1SOL     H6    6  -0.078956   0.066536  -0.084349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.189334  -0.009491  -0.048698
-    0SOL     H2    2  -0.170993  -0.044947   0.038301
-    0SOL     H3    3  -0.154832  -0.075195  -0.109154
-    1SOL     O4    4   0.190632   0.011014   0.046728
-    1SOL     H5    5   0.141041   0.037820   0.124087
-    1SOL     H6    6   0.157261   0.066664  -0.023642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070118  -0.098708  -0.150664
-    0SOL     H2    2   0.046937  -0.175316  -0.203163
-    0SOL     H3    3   0.139890  -0.129482  -0.092809
-    1SOL     O4    4  -0.072964   0.099482   0.155024
-    1SOL     H5    5   0.000731   0.158369   0.138785
-    1SOL     H6    6  -0.138853   0.125138   0.090505
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073562   0.110811   0.140518
-    0SOL     H2    2  -0.077651   0.115805   0.236020
-    0SOL     H3    3  -0.165085   0.111745   0.112498
-    1SOL     O4    4   0.082072  -0.110356  -0.149494
-    1SOL     H5    5   0.082811  -0.053290  -0.072648
-    1SOL     H6    6   0.023022  -0.181845  -0.125731
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110497   0.163563   0.028329
-    0SOL     H2    2  -0.137621   0.183166   0.118008
-    0SOL     H3    3  -0.146324   0.076528   0.010903
-    1SOL     O4    4   0.117624  -0.162306  -0.037264
-    1SOL     H5    5   0.066734  -0.207656   0.029937
-    1SOL     H6    6   0.104803  -0.069340  -0.018420
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056956   0.078586  -0.181061
-    0SOL     H2    2   0.143362   0.059568  -0.144528
-    0SOL     H3    3  -0.004576   0.045716  -0.115519
-    1SOL     O4    4  -0.058953  -0.071237   0.170567
-    1SOL     H5    5  -0.122117  -0.126159   0.217003
-    1SOL     H6    6   0.025836  -0.095422   0.207826
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069435   0.094279  -0.168949
-    0SOL     H2    2   0.028133   0.023916  -0.219003
-    0SOL     H3    3   0.119837   0.049163  -0.101224
-    1SOL     O4    4  -0.064418  -0.089432   0.171958
-    1SOL     H5    5  -0.067114  -0.072280   0.077826
-    1SOL     H6    6  -0.156178  -0.088367   0.199184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101744  -0.075673   0.171104
-    0SOL     H2    2  -0.139167  -0.143191   0.114509
-    0SOL     H3    3  -0.076609  -0.005371   0.111202
-    1SOL     O4    4   0.101072   0.069603  -0.166452
-    1SOL     H5    5   0.085641   0.149424  -0.216978
-    1SOL     H6    6   0.144606   0.099721  -0.086702
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.206964  -0.018391  -0.015906
-    0SOL     H2    2   0.280925  -0.019839  -0.076652
-    0SOL     H3    3   0.139194   0.031253  -0.061786
-    1SOL     O4    4  -0.201125   0.016149   0.020857
-    1SOL     H5    5  -0.255348  -0.061494   0.006939
-    1SOL     H6    6  -0.261466   0.081553   0.056124
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027959  -0.140342   0.150068
-    0SOL     H2    2   0.025694  -0.157426   0.072662
-    0SOL     H3    3  -0.071481  -0.223694   0.167974
-    1SOL     O4    4   0.029606   0.148454  -0.152500
-    1SOL     H5    5   0.030907   0.189129  -0.065862
-    1SOL     H6    6  -0.012002   0.063401  -0.138459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.206629   0.028149   0.017371
-    0SOL     H2    2   0.170591  -0.059335   0.031862
-    0SOL     H3    3   0.299753   0.019416   0.037716
-    1SOL     O4    4  -0.210439  -0.024403  -0.012729
-    1SOL     H5    5  -0.133320   0.014512  -0.053968
-    1SOL     H6    6  -0.269459  -0.043675  -0.085582
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017116  -0.072367  -0.207041
-    0SOL     H2    2   0.043641  -0.058918  -0.134308
-    0SOL     H3    3  -0.091629  -0.015779  -0.186844
-    1SOL     O4    4   0.015533   0.067128   0.194581
-    1SOL     H5    5  -0.035700   0.063110   0.275335
-    1SOL     H6    6   0.103837   0.090346   0.223313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.195965  -0.059968  -0.039980
-    0SOL     H2    2  -0.276544  -0.015777  -0.013213
-    0SOL     H3    3  -0.216614  -0.097843  -0.125428
-    1SOL     O4    4   0.199894   0.059833   0.036323
-    1SOL     H5    5   0.160306   0.003293   0.102642
-    1SOL     H6    6   0.266129   0.109924   0.083927
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.162052   0.047414   0.133414
-    0SOL     H2    2   0.212550   0.096091   0.198550
-    0SOL     H3    3   0.089659   0.009071   0.182924
-    1SOL     O4    4  -0.157150  -0.042778  -0.138323
-    1SOL     H5    5  -0.140709  -0.107660  -0.206752
-    1SOL     H6    6  -0.239454  -0.070601  -0.098147
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026642  -0.153375  -0.151866
-    0SOL     H2    2   0.101915  -0.126886  -0.099001
-    0SOL     H3    3   0.037348  -0.247812  -0.163243
-    1SOL     O4    4  -0.028922   0.159409   0.155169
-    1SOL     H5    5  -0.053070   0.214538   0.080738
-    1SOL     H6    6  -0.052763   0.070747   0.128096
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118960  -0.143545   0.128327
-    0SOL     H2    2   0.103009  -0.190228   0.046300
-    0SOL     H3    3   0.051014  -0.076185   0.131209
-    1SOL     O4    4  -0.107560   0.140909  -0.127221
-    1SOL     H5    5  -0.119857   0.172832  -0.037823
-    1SOL     H6    6  -0.196349   0.126948  -0.160144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.214741   0.042131  -0.002186
-    0SOL     H2    2   0.271621   0.076436   0.066735
-    0SOL     H3    3   0.204382  -0.050596   0.019186
-    1SOL     O4    4  -0.211673  -0.041208  -0.004226
-    1SOL     H5    5  -0.297145  -0.075245  -0.030652
-    1SOL     H6    6  -0.231502   0.023584   0.063384
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119915   0.155922   0.106066
-    0SOL     H2    2  -0.036467   0.202810   0.106567
-    0SOL     H3    3  -0.102384   0.075213   0.154450
-    1SOL     O4    4   0.112268  -0.152984  -0.101985
-    1SOL     H5    5   0.192153  -0.121098  -0.143986
-    1SOL     H6    6   0.069136  -0.205627  -0.169295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.223020  -0.003029   0.049350
-    0SOL     H2    2  -0.141681   0.036807   0.080322
-    0SOL     H3    3  -0.216410   0.000012  -0.046093
-    1SOL     O4    4   0.211947   0.002443  -0.040528
-    1SOL     H5    5   0.296458   0.046137  -0.051067
-    1SOL     H6    6   0.215181  -0.071135  -0.101667
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.200793  -0.016723  -0.092179
-    0SOL     H2    2  -0.214933   0.077493  -0.101446
-    0SOL     H3    3  -0.256113  -0.056046  -0.159674
-    1SOL     O4    4   0.208558   0.014969   0.093744
-    1SOL     H5    5   0.182763   0.056301   0.176136
-    1SOL     H6    6   0.150552  -0.060746   0.085686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009130   0.233149  -0.020492
-    0SOL     H2    2  -0.014724   0.170165   0.047526
-    0SOL     H3    3  -0.025024   0.195145  -0.101433
-    1SOL     O4    4   0.000906  -0.226222   0.025079
-    1SOL     H5    5  -0.037034  -0.178044  -0.048417
-    1SOL     H6    6  -0.065146  -0.291789   0.047452
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061923   0.200768  -0.089469
-    0SOL     H2    2  -0.071562   0.256382  -0.012161
-    0SOL     H3    3  -0.092949   0.254946  -0.162026
-    1SOL     O4    4   0.063931  -0.207766   0.095884
-    1SOL     H5    5   0.019707  -0.144706   0.039052
-    1SOL     H6    6   0.114898  -0.262385   0.036039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.219694  -0.040130   0.095764
-    0SOL     H2    2   0.131150  -0.071950   0.078167
-    0SOL     H3    3   0.250705  -0.007511   0.011285
-    1SOL     O4    4  -0.214832   0.035296  -0.094556
-    1SOL     H5    5  -0.158477   0.102611  -0.056410
-    1SOL     H6    6  -0.301615   0.053351  -0.058429
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.213621  -0.024521   0.111172
-    0SOL     H2    2  -0.147692   0.025627   0.063205
-    0SOL     H3    3  -0.188612  -0.015277   0.203103
-    1SOL     O4    4   0.212763   0.024083  -0.112950
-    1SOL     H5    5   0.120669   0.050147  -0.114225
-    1SOL     H6    6   0.210926  -0.071054  -0.123336
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018485   0.055786  -0.241171
-    0SOL     H2    2   0.031320   0.063953  -0.159838
-    0SOL     H3    3  -0.109166   0.044350  -0.212737
-    1SOL     O4    4   0.021673  -0.057489   0.227278
-    1SOL     H5    5  -0.030652  -0.102193   0.293806
-    1SOL     H6    6   0.062082   0.015780   0.273765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.162210  -0.056505   0.192198
-    0SOL     H2    2   0.134839   0.013671   0.133135
-    0SOL     H3    3   0.175051  -0.013202   0.276591
-    1SOL     O4    4  -0.161971   0.046294  -0.189216
-    1SOL     H5    5  -0.085697   0.064230  -0.244197
-    1SOL     H6    6  -0.227430   0.110192  -0.217401
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083597   0.248098   0.016652
-    0SOL     H2    2  -0.132101   0.267423   0.096878
-    0SOL     H3    3  -0.140943   0.189282  -0.032485
-    1SOL     O4    4   0.087952  -0.252536  -0.017062
-    1SOL     H5    5   0.086836  -0.178022   0.043012
-    1SOL     H6    6   0.115674  -0.215419  -0.100824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031831   0.128954  -0.245332
-    0SOL     H2    2   0.009765   0.086878  -0.162235
-    0SOL     H3    3  -0.028744   0.202797  -0.251672
-    1SOL     O4    4  -0.027557  -0.130576   0.247295
-    1SOL     H5    5  -0.051874  -0.063135   0.183871
-    1SOL     H6    6   0.007201  -0.202149   0.194082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085306   0.227202  -0.152757
-    0SOL     H2    2   0.138129   0.306823  -0.158468
-    0SOL     H3    3   0.083866   0.206000  -0.059426
-    1SOL     O4    4  -0.088486  -0.227231   0.142412
-    1SOL     H5    5  -0.116764  -0.197056   0.228737
-    1SOL     H6    6  -0.059179  -0.317203   0.156852
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.212218  -0.180439  -0.096223
-    0SOL     H2    2   0.131440  -0.135170  -0.071974
-    0SOL     H3    3   0.187097  -0.236823  -0.169381
-    1SOL     O4    4  -0.200550   0.177624   0.099670
-    1SOL     H5    5  -0.245331   0.230280   0.165884
-    1SOL     H6    6  -0.254813   0.186392   0.021306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.162762  -0.191554   0.163890
-    0SOL     H2    2   0.216797  -0.167535   0.088619
-    0SOL     H3    3   0.112381  -0.112551   0.183451
-    1SOL     O4    4  -0.159565   0.190569  -0.158658
-    1SOL     H5    5  -0.213160   0.196325  -0.237758
-    1SOL     H6    6  -0.177549   0.103261  -0.123785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089455  -0.029567   0.281028
-    0SOL     H2    2  -0.057852  -0.043670   0.370273
-    0SOL     H3    3  -0.043240  -0.094964   0.228589
-    1SOL     O4    4   0.084710   0.033270  -0.289745
-    1SOL     H5    5   0.020836   0.019926  -0.219715
-    1SOL     H6    6   0.165561   0.056931  -0.244296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.276465  -0.137180   0.013205
-    0SOL     H2    2  -0.283002  -0.051438   0.055252
-    0SOL     H3    3  -0.190331  -0.170037   0.038964
-    1SOL     O4    4   0.270233   0.140478  -0.017066
-    1SOL     H5    5   0.340407   0.101198  -0.068978
-    1SOL     H6    6   0.235837   0.068179   0.035395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001324   0.110395   0.282645
-    0SOL     H2    2  -0.078258   0.131752   0.335441
-    0SOL     H3    3   0.035862   0.195356   0.258954
-    1SOL     O4    4   0.000621  -0.120512  -0.289557
-    1SOL     H5    5  -0.019517  -0.036118  -0.249129
-    1SOL     H6    6   0.078851  -0.151064  -0.243634
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082618  -0.097853  -0.296649
-    0SOL     H2    2  -0.068303  -0.179547  -0.248863
-    0SOL     H3    3  -0.139995  -0.122267  -0.369272
-    1SOL     O4    4   0.079288   0.100356   0.298764
-    1SOL     H5    5   0.162459   0.072944   0.260118
-    1SOL     H6    6   0.093650   0.191420   0.324520
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-    6
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-    0SOL     H2    2   0.276563  -0.219798  -0.186155
-    0SOL     H3    3   0.268594  -0.091650  -0.105944
-    1SOL     O4    4  -0.275874   0.189579   0.101032
-    1SOL     H5    5  -0.277317   0.139322   0.182485
-    1SOL     H6    6  -0.281248   0.123515   0.031974
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.041667   0.371804   0.012065
-    0SOL     H2    2   0.096326   0.441485   0.048386
-    0SOL     H3    3  -0.046689   0.392152   0.042748
-    1SOL     O4    4  -0.038092  -0.383317  -0.013729
-    1SOL     H5    5  -0.027236  -0.342802  -0.099770
-    1SOL     H6    6  -0.074898  -0.313940   0.040993
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.114538   0.188113   0.340970
-    0SOL     H2    2  -0.089116   0.236753   0.262547
-    0SOL     H3    3  -0.101488   0.096236   0.317508
-    1SOL     O4    4   0.114605  -0.188136  -0.338801
-    1SOL     H5    5   0.135245  -0.101376  -0.304029
-    1SOL     H6    6   0.041989  -0.219046  -0.284637
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.366874   0.237131  -0.014541
-    0SOL     H2    2   0.396399   0.211800  -0.101999
-    0SOL     H3    3   0.382874   0.159782   0.039529
-    1SOL     O4    4  -0.366288  -0.229569   0.022689
-    1SOL     H5    5  -0.421235  -0.171108  -0.029518
-    1SOL     H6    6  -0.366466  -0.312191  -0.025642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.086487  -0.089979   0.445221
-    0SOL     H2    2   0.074942   0.004922   0.449993
-    0SOL     H3    3   0.142918  -0.103491   0.369094
-    1SOL     O4    4  -0.094939   0.085957  -0.438509
-    1SOL     H5    5  -0.050780   0.001040  -0.439681
-    1SOL     H6    6  -0.032154   0.146210  -0.478382
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/000/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002107   0.000543   0.095695
-    0SOL     H3    3  -0.080836   0.044158  -0.026036
-    1SOL     O4    4  -0.015917  -0.245317  -0.128249
-    1SOL     H5    5  -0.095676  -0.292740  -0.104760
-    1SOL     H6    6  -0.027467  -0.158416  -0.089817
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/001/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001106  -0.006528  -0.095491
-    0SOL     H3    3   0.076690  -0.049774   0.028347
-    1SOL     O4    4   0.200208  -0.148198   0.106595
-    1SOL     H5    5   0.186082  -0.156903   0.200866
-    1SOL     H6    6   0.278462  -0.093601   0.098994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/002/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072766   0.053771  -0.031242
-    0SOL     H3    3   0.014301  -0.007243   0.094368
-    1SOL     O4    4   0.016813  -0.011508   0.277880
-    1SOL     H5    5   0.085340   0.043507   0.315823
-    1SOL     H6    6   0.013170  -0.088173   0.335077
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/003/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077734   0.045648  -0.032186
-    0SOL     H3    3  -0.008903  -0.089182  -0.033610
-    1SOL     O4    4  -0.204994   0.123105  -0.103192
-    1SOL     H5    5  -0.283258   0.084581  -0.063785
-    1SOL     H6    6  -0.209215   0.215709  -0.079339
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/004/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014608  -0.004794  -0.094477
-    0SOL     H3    3  -0.088507  -0.034290   0.012370
-    1SOL     O4    4   0.219595  -0.126735   0.136775
-    1SOL     H5    5   0.137254  -0.083142   0.114823
-    1SOL     H6    6   0.286745  -0.074956   0.092366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/005/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014547  -0.089307  -0.031224
-    0SOL     H3    3   0.009708  -0.005926   0.095042
-    1SOL     O4    4  -0.209062   0.130242  -0.092486
-    1SOL     H5    5  -0.133752   0.083157  -0.056799
-    1SOL     H6    6  -0.182772   0.153606  -0.181510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/006/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006004   0.000954   0.095527
-    0SOL     H3    3  -0.006598  -0.092754  -0.022706
-    1SOL     O4    4  -0.010257  -0.250409  -0.115074
-    1SOL     H5    5  -0.009163  -0.260007  -0.210305
-    1SOL     H6    6  -0.064303  -0.323147  -0.084242
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/007/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070722  -0.041912  -0.049032
-    0SOL     H3    3   0.078285  -0.049828  -0.023472
-    1SOL     O4    4   0.223198  -0.112686  -0.106515
-    1SOL     H5    5   0.214902  -0.200614  -0.069608
-    1SOL     H6    6   0.294883  -0.072666  -0.057301
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/008/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075648   0.020781   0.054844
-    0SOL     H3    3   0.072664   0.047473   0.040355
-    1SOL     O4    4   0.223485   0.126885   0.116587
-    1SOL     H5    5   0.298400   0.091004   0.069020
-    1SOL     H6    6   0.217585   0.217743   0.087053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/009/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007947   0.088725  -0.035030
-    0SOL     H3    3  -0.079961  -0.044277  -0.028429
-    1SOL     O4    4  -0.225855  -0.130814  -0.108718
-    1SOL     H5    5  -0.213799  -0.137837  -0.203416
-    1SOL     H6    6  -0.308520  -0.083654  -0.098482
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/010/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018042  -0.001876   0.093985
-    0SOL     H3    3   0.030739  -0.084801  -0.032036
-    1SOL     O4    4  -0.251686   0.106264  -0.101654
-    1SOL     H5    5  -0.247820   0.200563  -0.085687
-    1SOL     H6    6  -0.166990   0.073339  -0.071572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/011/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087616  -0.028814  -0.025602
-    0SOL     H3    3   0.009578   0.086332  -0.040217
-    1SOL     O4    4  -0.216580  -0.113454  -0.083752
-    1SOL     H5    5  -0.292513  -0.063840  -0.053175
-    1SOL     H6    6  -0.227064  -0.200067  -0.044375
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/012/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066666   0.046376  -0.050667
-    0SOL     H3    3   0.083191   0.030387  -0.036308
-    1SOL     O4    4  -0.222266   0.137779  -0.080939
-    1SOL     H5    5  -0.306035   0.094305  -0.064971
-    1SOL     H6    6  -0.230812   0.222875  -0.037950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/013/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.015037   0.094152  -0.008464
-    0SOL     H3    3  -0.081084  -0.040156  -0.031230
-    1SOL     O4    4   0.233825  -0.138120  -0.063143
-    1SOL     H5    5   0.156184  -0.088996  -0.036290
-    1SOL     H6    6   0.225254  -0.222590  -0.018944
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/014/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079774   0.035666  -0.039068
-    0SOL     H3    3   0.004684   0.025920   0.092025
-    1SOL     O4    4  -0.007704  -0.240916  -0.120627
-    1SOL     H5    5  -0.003760  -0.151400  -0.086957
-    1SOL     H6    6   0.057313  -0.288783  -0.069208
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/015/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076297  -0.038290   0.043301
-    0SOL     H3    3   0.008989   0.094201   0.014411
-    1SOL     O4    4  -0.235746  -0.081769   0.118771
-    1SOL     H5    5  -0.229484  -0.170100   0.082428
-    1SOL     H6    6  -0.154076  -0.039225   0.092650
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/016/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016476  -0.013398   0.093335
-    0SOL     H3    3   0.004498  -0.087738  -0.038001
-    1SOL     O4    4   0.048155  -0.264504  -0.073760
-    1SOL     H5    5   0.052250  -0.271952  -0.169102
-    1SOL     H6    6  -0.035770  -0.304038  -0.050183
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/017/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080204  -0.030947  -0.042094
-    0SOL     H3    3  -0.069967  -0.050122  -0.041890
-    1SOL     O4    4   0.203827  -0.147865  -0.098060
-    1SOL     H5    5   0.284198  -0.108298  -0.064336
-    1SOL     H6    6   0.206389  -0.238146  -0.066359
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/018/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004762  -0.027138   0.091669
-    0SOL     H3    3  -0.082726   0.047693  -0.006643
-    1SOL     O4    4   0.026836  -0.260816  -0.106787
-    1SOL     H5    5   0.017460  -0.166437  -0.093858
-    1SOL     H6    6  -0.055831  -0.297640  -0.075604
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/019/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083877  -0.024761   0.038907
-    0SOL     H3    3   0.009438  -0.021183  -0.092868
-    1SOL     O4    4   0.229571  -0.080661   0.132873
-    1SOL     H5    5   0.229231  -0.077545   0.228542
-    1SOL     H6    6   0.311952  -0.038869   0.107793
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/020/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079952  -0.029488   0.043595
-    0SOL     H3    3   0.008416   0.092018   0.024984
-    1SOL     O4    4  -0.013556   0.015149  -0.257786
-    1SOL     H5    5   0.002635   0.019329  -0.163539
-    1SOL     H6    6   0.060927  -0.033734  -0.292788
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/021/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.026951   0.007554   0.091536
-    0SOL     H3    3   0.000263   0.090052  -0.032449
-    1SOL     O4    4  -0.236161  -0.159255  -0.111106
-    1SOL     H5    5  -0.148512  -0.121944  -0.101737
-    1SOL     H6    6  -0.226994  -0.249804  -0.081456
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/022/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087398  -0.023364  -0.031273
-    0SOL     H3    3   0.013128   0.089829  -0.030345
-    1SOL     O4    4  -0.223608  -0.114694  -0.101068
-    1SOL     H5    5  -0.263845  -0.198929  -0.079909
-    1SOL     H6    6  -0.251194  -0.096827  -0.190968
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/023/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005585  -0.026018  -0.091947
-    0SOL     H3    3   0.087511   0.032550   0.021088
-    1SOL     O4    4   0.233750   0.091048   0.085384
-    1SOL     H5    5   0.242107   0.083340   0.180426
-    1SOL     H6    6   0.320558   0.068754   0.051773
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/024/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081671  -0.029574  -0.040218
-    0SOL     H3    3   0.068512  -0.030959  -0.059245
-    1SOL     O4    4   0.215166  -0.099979  -0.137375
-    1SOL     H5    5   0.239772  -0.100850  -0.229874
-    1SOL     H6    6   0.206963  -0.192401  -0.113852
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/025/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005232   0.000782   0.095574
-    0SOL     H3    3  -0.076153   0.054319  -0.020311
-    1SOL     O4    4  -0.201052   0.124727  -0.094041
-    1SOL     H5    5  -0.267870   0.080758  -0.041464
-    1SOL     H6    6  -0.198902   0.214223  -0.060157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/026/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.064047  -0.061666  -0.035462
-    0SOL     H3    3   0.006057  -0.011026   0.094890
-    1SOL     O4    4  -0.012783   0.266335  -0.092817
-    1SOL     H5    5  -0.018980   0.178515  -0.055247
-    1SOL     H6    6   0.068202   0.302274  -0.056594
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/027/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001059   0.035104  -0.089044
-    0SOL     H3    3  -0.012629   0.076513   0.056112
-    1SOL     O4    4  -0.225062  -0.145717   0.124221
-    1SOL     H5    5  -0.221592  -0.227589   0.074750
-    1SOL     H6    6  -0.155243  -0.092040   0.086720
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/028/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073299  -0.039927   0.046856
-    0SOL     H3    3   0.077968  -0.036704   0.041667
-    1SOL     O4    4   0.241021  -0.055912   0.119052
-    1SOL     H5    5   0.253938  -0.049060   0.213648
-    1SOL     H6    6   0.313730  -0.006442   0.081256
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/029/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071726  -0.053030  -0.034721
-    0SOL     H3    3   0.076818  -0.027989  -0.049779
-    1SOL     O4    4   0.224470  -0.062915  -0.107363
-    1SOL     H5    5   0.242285  -0.076858  -0.200372
-    1SOL     H6    6   0.305579  -0.025736  -0.072703
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/030/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082574   0.030182  -0.037854
-    0SOL     H3    3   0.021242  -0.079440  -0.048993
-    1SOL     O4    4   0.210366   0.139409  -0.072454
-    1SOL     H5    5   0.217886   0.228587  -0.038498
-    1SOL     H6    6   0.126721   0.107724  -0.038369
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-    6
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-    0SOL     H2    2  -0.076630   0.044751  -0.035882
-    0SOL     H3    3  -0.000278  -0.085811  -0.042410
-    1SOL     O4    4  -0.041982  -0.225322  -0.135240
-    1SOL     H5    5  -0.066100  -0.221916  -0.227809
-    1SOL     H6    6  -0.117617  -0.265172  -0.092186
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/032/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025190   0.011022  -0.091686
-    0SOL     H3    3  -0.077443  -0.037645   0.041807
-    1SOL     O4    4   0.007997   0.269547   0.085947
-    1SOL     H5    5   0.011626   0.183408   0.044362
-    1SOL     H6    6   0.092363   0.309756   0.065259
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/033/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031111   0.017543  -0.088807
-    0SOL     H3    3   0.023142  -0.091510   0.015897
-    1SOL     O4    4   0.022758  -0.271133   0.079142
-    1SOL     H5    5   0.032003  -0.287235   0.173044
-    1SOL     H6    6   0.098441  -0.314551   0.039782
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/034/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081967   0.033533  -0.036322
-    0SOL     H3    3   0.068247   0.050790  -0.043876
-    1SOL     O4    4   0.025766  -0.245148  -0.109312
-    1SOL     H5    5   0.013167  -0.198186  -0.191763
-    1SOL     H6    6   0.034720  -0.176185  -0.043539
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/035/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031357   0.008683   0.090020
-    0SOL     H3    3  -0.014479  -0.093927  -0.011414
-    1SOL     O4    4  -0.202083   0.387037   0.023038
-    1SOL     H5    5  -0.285349   0.425085  -0.004917
-    1SOL     H6    6  -0.135634   0.446452  -0.011843
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/036/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010059  -0.006993   0.094933
-    0SOL     H3    3   0.078175   0.046998  -0.029020
-    1SOL     O4    4   0.025219   0.010020   0.258059
-    1SOL     H5    5   0.042423  -0.070204   0.307359
-    1SOL     H6    6  -0.055950   0.044256   0.295499
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/037/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003705   0.005356   0.095498
-    0SOL     H3    3  -0.000983  -0.093860  -0.018753
-    1SOL     O4    4  -0.198401   0.169401  -0.106078
-    1SOL     H5    5  -0.277929   0.120774  -0.084331
-    1SOL     H6    6  -0.126920   0.110147  -0.082801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/038/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072628  -0.055342   0.028719
-    0SOL     H3    3   0.008560   0.079807   0.052153
-    1SOL     O4    4   0.047632   0.242168   0.138747
-    1SOL     H5    5  -0.020720   0.288860   0.090682
-    1SOL     H6    6   0.129505   0.272201   0.099286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/039/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013620  -0.004121   0.094656
-    0SOL     H3    3  -0.040756   0.082442  -0.026543
-    1SOL     O4    4   0.231345  -0.134799  -0.127357
-    1SOL     H5    5   0.160248  -0.094103  -0.077845
-    1SOL     H6    6   0.214835  -0.228811  -0.120190
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/040/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076148   0.047169  -0.033747
-    0SOL     H3    3   0.001321  -0.081947  -0.049450
-    1SOL     O4    4   0.010941  -0.001989   0.272529
-    1SOL     H5    5   0.009772  -0.009824   0.177137
-    1SOL     H6    6   0.023074  -0.091631   0.303824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/041/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003607  -0.012259  -0.094863
-    0SOL     H3    3  -0.083179  -0.035012   0.031903
-    1SOL     O4    4   0.006411   0.001046  -0.278899
-    1SOL     H5    5   0.097374  -0.010578  -0.306338
-    1SOL     H6    6  -0.017477   0.087934  -0.311182
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/042/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009813   0.084149   0.044553
-    0SOL     H3    3   0.084942  -0.042830   0.010624
-    1SOL     O4    4   0.216213  -0.130295   0.122236
-    1SOL     H5    5   0.302873  -0.091058   0.111614
-    1SOL     H6    6   0.229775  -0.223464   0.104980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/043/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053818   0.062119   0.049063
-    0SOL     H3    3  -0.087728   0.009786   0.037019
-    1SOL     O4    4   0.004268   0.001165  -0.249734
-    1SOL     H5    5  -0.000471  -0.002425  -0.154199
-    1SOL     H6    6  -0.078188   0.041852  -0.276340
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/044/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010022   0.003082   0.095144
-    0SOL     H3    3   0.072025   0.060267  -0.018510
-    1SOL     O4    4  -0.209843   0.128625  -0.095692
-    1SOL     H5    5  -0.276539   0.064238  -0.071853
-    1SOL     H6    6  -0.129039   0.094927  -0.056994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/045/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005668  -0.015171   0.094340
-    0SOL     H3    3  -0.012294   0.094554  -0.008405
-    1SOL     O4    4   0.221521  -0.114585  -0.104622
-    1SOL     H5    5   0.218490  -0.202362  -0.066565
-    1SOL     H6    6   0.140642  -0.072799  -0.075045
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/046/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081109  -0.044451  -0.024652
-    0SOL     H3    3   0.069195  -0.051721  -0.041222
-    1SOL     O4    4  -0.025251   0.029431   0.281847
-    1SOL     H5    5  -0.014029   0.003004   0.190535
-    1SOL     H6    6  -0.015225   0.124617   0.280689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/047/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079911  -0.050989  -0.013293
-    0SOL     H3    3   0.070582  -0.058251  -0.028058
-    1SOL     O4    4  -0.213080  -0.135410  -0.039675
-    1SOL     H5    5  -0.238874  -0.149059  -0.130838
-    1SOL     H6    6  -0.291131  -0.099088   0.002170
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/048/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.023829  -0.089445   0.024373
-    0SOL     H3    3  -0.078254   0.018941   0.051767
-    1SOL     O4    4   0.014076  -0.247345   0.139447
-    1SOL     H5    5   0.097698  -0.284415   0.111242
-    1SOL     H6    6   0.017822  -0.249676   0.235065
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/049/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075129  -0.052341   0.027899
-    0SOL     H3    3   0.006896   0.080850   0.050775
-    1SOL     O4    4   0.019027   0.253018   0.074021
-    1SOL     H5    5  -0.054190   0.291686   0.025996
-    1SOL     H6    6   0.094381   0.307199   0.050597
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/050/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005369   0.026273  -0.091887
-    0SOL     H3    3  -0.089629  -0.024188   0.023320
-    1SOL     O4    4   0.240616  -0.148430   0.073391
-    1SOL     H5    5   0.167120  -0.090114   0.054422
-    1SOL     H6    6   0.318154  -0.098329   0.048092
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/051/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081938  -0.030084   0.039287
-    0SOL     H3    3   0.009593   0.090189   0.030598
-    1SOL     O4    4   0.231394   0.378446  -0.025245
-    1SOL     H5    5   0.320681   0.356364   0.001259
-    1SOL     H6    6   0.214453   0.463242   0.015801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/052/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000630  -0.006452   0.095500
-    0SOL     H3    3  -0.084051   0.040837  -0.020740
-    1SOL     O4    4  -0.012632   0.039067   0.281350
-    1SOL     H5    5  -0.005030  -0.050661   0.313806
-    1SOL     H6    6  -0.099156   0.067863   0.310447
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/053/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001518  -0.010148   0.095169
-    0SOL     H3    3   0.062639  -0.065798  -0.030154
-    1SOL     O4    4  -0.023543   0.247079  -0.092755
-    1SOL     H5    5  -0.023527   0.159284  -0.054618
-    1SOL     H6    6   0.050124   0.291495  -0.050770
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/054/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017844  -0.093644   0.008647
-    0SOL     H3    3   0.078117   0.014573   0.053363
-    1SOL     O4    4  -0.017351  -0.022722  -0.271071
-    1SOL     H5    5  -0.026879  -0.116426  -0.288136
-    1SOL     H6    6  -0.000688  -0.017036  -0.176985
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/055/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011214   0.022039   0.092471
-    0SOL     H3    3   0.075431   0.039784  -0.043472
-    1SOL     O4    4   0.007501  -0.253451  -0.113925
-    1SOL     H5    5  -0.079890  -0.292471  -0.112337
-    1SOL     H6    6  -0.002888  -0.169491  -0.069147
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/056/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063480  -0.059065   0.040544
-    0SOL     H3    3  -0.011187   0.082879   0.046565
-    1SOL     O4    4   0.001706  -0.005339  -0.284092
-    1SOL     H5    5  -0.008297  -0.008011  -0.188933
-    1SOL     H6    6   0.017789   0.086907  -0.303951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/057/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075262  -0.040336  -0.043255
-    0SOL     H3    3   0.076080  -0.042217  -0.039899
-    1SOL     O4    4   0.182493  -0.160036  -0.125042
-    1SOL     H5    5   0.197243  -0.177567  -0.217980
-    1SOL     H6    6   0.183656  -0.246428  -0.083844
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/058/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015361  -0.080742   0.049061
-    0SOL     H3    3   0.069775   0.059021   0.028465
-    1SOL     O4    4   0.032602  -0.228716   0.140612
-    1SOL     H5    5   0.111810  -0.281878   0.132720
-    1SOL     H6    6   0.016233  -0.223876   0.234798
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/059/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010419  -0.090124   0.030520
-    0SOL     H3    3   0.077714   0.045473   0.032482
-    1SOL     O4    4   0.208273   0.128710   0.074074
-    1SOL     H5    5   0.280965   0.078329   0.037469
-    1SOL     H6    6   0.206632   0.209368   0.022558
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/060/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006893  -0.018107  -0.093739
-    0SOL     H3    3  -0.067611  -0.054664   0.040037
-    1SOL     O4    4   0.246796  -0.100315   0.061475
-    1SOL     H5    5   0.172362  -0.050462   0.027762
-    1SOL     H6    6   0.323098  -0.061313   0.018823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/061/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008385   0.009530  -0.094875
-    0SOL     H3    3  -0.083991   0.030108   0.034660
-    1SOL     O4    4  -0.234025   0.111448   0.069502
-    1SOL     H5    5  -0.319119   0.084242   0.035133
-    1SOL     H6    6  -0.213768   0.192197   0.022263
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/062/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022310   0.028831  -0.088506
-    0SOL     H3    3   0.081918   0.045273   0.020053
-    1SOL     O4    4   0.184899   0.367377  -0.023377
-    1SOL     H5    5   0.181566   0.359667  -0.118728
-    1SOL     H6    6   0.178111   0.277284   0.008237
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/063/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008781   0.017180  -0.093755
-    0SOL     H3    3  -0.000347  -0.095465   0.006976
-    1SOL     O4    4   0.052214  -0.001354  -0.274427
-    1SOL     H5    5  -0.029101   0.040807  -0.302225
-    1SOL     H6    6   0.121488   0.053574  -0.311119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/064/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001979  -0.021126  -0.093339
-    0SOL     H3    3   0.074893  -0.048900   0.034091
-    1SOL     O4    4  -0.224441  -0.089820   0.113830
-    1SOL     H5    5  -0.296023  -0.043809   0.069997
-    1SOL     H6    6  -0.145063  -0.054655   0.073521
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/065/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010425  -0.005689   0.094980
-    0SOL     H3    3   0.080154   0.050847  -0.012343
-    1SOL     O4    4   0.241343   0.119527  -0.053460
-    1SOL     H5    5   0.255501   0.126892  -0.147840
-    1SOL     H6    6   0.325894   0.091219  -0.018646
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/066/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006179   0.017509  -0.093902
-    0SOL     H3    3   0.072258   0.055151   0.029992
-    1SOL     O4    4   0.201998   0.132678   0.119616
-    1SOL     H5    5   0.209914   0.142902   0.214458
-    1SOL     H6    6   0.265076   0.064158   0.097516
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/067/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015936  -0.003760   0.094309
-    0SOL     H3    3  -0.018778  -0.090526  -0.024794
-    1SOL     O4    4  -0.019945  -0.014257   0.257304
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-    6
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-    0SOL     H3    3   0.081703  -0.039308  -0.030690
-    1SOL     O4    4   0.223810  -0.143224  -0.086452
-    1SOL     H5    5   0.213649  -0.151379  -0.181281
-    1SOL     H6    6   0.221906  -0.233353  -0.054273
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012102  -0.001185   0.094945
-    0SOL     H3    3  -0.085747   0.024442  -0.034819
-    1SOL     O4    4   0.205394   0.116994  -0.121148
-    1SOL     H5    5   0.129695   0.070898  -0.084994
-    1SOL     H6    6   0.209801   0.198633  -0.071368
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/070/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000086  -0.020460   0.093508
-    0SOL     H3    3   0.083757  -0.033530  -0.031981
-    1SOL     O4    4   0.235485  -0.112589  -0.113644
-    1SOL     H5    5   0.223805  -0.100978  -0.207937
-    1SOL     H6    6   0.319370  -0.070645  -0.094508
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/071/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070186   0.060309  -0.024475
-    0SOL     H3    3   0.080315   0.044216  -0.027508
-    1SOL     O4    4   0.044395  -0.252904  -0.088080
-    1SOL     H5    5  -0.027167  -0.314174  -0.071136
-    1SOL     H6    6   0.008822  -0.167284  -0.064287
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/072/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073280   0.036124   0.049874
-    0SOL     H3    3  -0.011285  -0.094859   0.006065
-    1SOL     O4    4  -0.031083  -0.261409   0.076122
-    1SOL     H5    5  -0.036457  -0.261186   0.171691
-    1SOL     H6    6  -0.102183  -0.319104   0.048222
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/073/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087356   0.022347   0.032121
-    0SOL     H3    3  -0.006307   0.009201  -0.095068
-    1SOL     O4    4   0.017617  -0.277757   0.089039
-    1SOL     H5    5   0.026464  -0.259271   0.182539
-    1SOL     H6    6   0.022007  -0.191841   0.047068
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/074/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006994  -0.010649  -0.094868
-    0SOL     H3    3   0.094120   0.004893   0.016726
-    1SOL     O4    4   0.242238   0.081825   0.068050
-    1SOL     H5    5   0.328615   0.050566   0.041140
-    1SOL     H6    6   0.247381   0.087376   0.163471
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/075/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007904   0.008175  -0.095042
-    0SOL     H3    3   0.028067  -0.089561   0.018800
-    1SOL     O4    4  -0.175510   0.109048  -0.344540
-    1SOL     H5    5  -0.186188   0.111300  -0.439636
-    1SOL     H6    6  -0.201586   0.196412  -0.315387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/076/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088836   0.022116   0.027954
-    0SOL     H3    3   0.056582   0.055260   0.053918
-    1SOL     O4    4  -0.003700  -0.289392   0.061536
-    1SOL     H5    5  -0.094333  -0.314556   0.043792
-    1SOL     H6    6  -0.000417  -0.195839   0.041553
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/077/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009197   0.011393  -0.094593
-    0SOL     H3    3  -0.017972   0.086656   0.036469
-    1SOL     O4    4   0.233909  -0.118419   0.085648
-    1SOL     H5    5   0.148557  -0.100867   0.046035
-    1SOL     H6    6   0.245966  -0.212866   0.075812
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/078/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074834  -0.058344   0.012576
-    0SOL     H3    3  -0.029649   0.084623   0.033501
-    1SOL     O4    4   0.016692   0.284480   0.074921
-    1SOL     H5    5   0.023625   0.284744   0.170389
-    1SOL     H6    6   0.103470   0.311040   0.044484
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/079/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001309  -0.003957  -0.095629
-    0SOL     H3    3  -0.071360   0.059688   0.022528
-    1SOL     O4    4  -0.001641  -0.012909  -0.294855
-    1SOL     H5    5  -0.002235  -0.089218  -0.352638
-    1SOL     H6    6   0.080552   0.031818  -0.315012
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/080/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006322   0.000825  -0.095507
-    0SOL     H3    3   0.087623  -0.024617   0.029639
-    1SOL     O4    4  -0.023259   0.271610   0.083513
-    1SOL     H5    5   0.012376   0.276913   0.172194
-    1SOL     H6    6   0.001355   0.184307   0.052939
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/081/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001847  -0.090812  -0.030201
-    0SOL     H3    3   0.083829   0.033998  -0.031293
-    1SOL     O4    4  -0.022670  -0.249516  -0.082182
-    1SOL     H5    5  -0.022770  -0.271531  -0.175336
-    1SOL     H6    6  -0.083320  -0.312139  -0.042658
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/082/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009354  -0.086536  -0.039829
-    0SOL     H3    3  -0.079454   0.036068  -0.039350
-    1SOL     O4    4  -0.006538  -0.289193  -0.084161
-    1SOL     H5    5  -0.063430  -0.340755  -0.027005
-    1SOL     H6    6   0.081950  -0.306891  -0.052239
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/083/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078688  -0.043913  -0.032283
-    0SOL     H3    3  -0.009363   0.090639  -0.029312
-    1SOL     O4    4  -0.228961  -0.137942  -0.056767
-    1SOL     H5    5  -0.233178  -0.108604  -0.147782
-    1SOL     H6    6  -0.311826  -0.109206  -0.018426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/084/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013183  -0.087159   0.037307
-    0SOL     H3    3   0.084142   0.028785   0.035409
-    1SOL     O4    4   0.244662   0.090817   0.078808
-    1SOL     H5    5   0.325168   0.044452   0.055757
-    1SOL     H6    6   0.261771   0.181926   0.054959
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/085/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004124   0.020278   0.093456
-    0SOL     H3    3   0.081649  -0.046571  -0.018078
-    1SOL     O4    4  -0.034670   0.021443   0.268463
-    1SOL     H5    5  -0.110321  -0.027444   0.300856
-    1SOL     H6    6  -0.012445   0.081295   0.339780
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/086/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004543  -0.029433  -0.090969
-    0SOL     H3    3  -0.074331  -0.042557   0.042734
-    1SOL     O4    4   0.021199   0.264426   0.058365
-    1SOL     H5    5   0.026399   0.169904   0.044189
-    1SOL     H6    6   0.091000   0.300744   0.003857
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/087/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013536  -0.005769   0.094582
-    0SOL     H3    3   0.011498   0.093505  -0.016939
-    1SOL     O4    4   0.015949   0.002761   0.300436
-    1SOL     H5    5  -0.050076  -0.054609   0.339315
-    1SOL     H6    6   0.099586  -0.035022   0.327632
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/088/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005988   0.002054   0.095510
-    0SOL     H3    3   0.091964  -0.019643  -0.017863
-    1SOL     O4    4   0.002073  -0.030450   0.281799
-    1SOL     H5    5  -0.078149  -0.082562   0.285149
-    1SOL     H6    6  -0.016161   0.045276   0.337435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/089/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001434  -0.085233  -0.043538
-    0SOL     H3    3   0.079447   0.042273  -0.032611
-    1SOL     O4    4  -0.006819   0.028140   0.287961
-    1SOL     H5    5  -0.020840   0.021761   0.193489
-    1SOL     H6    6  -0.094356   0.041298   0.324380
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/090/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005188  -0.013073   0.094681
-    0SOL     H3    3   0.060943   0.071657  -0.017708
-    1SOL     O4    4  -0.000307   0.018693   0.323024
-    1SOL     H5    5   0.030530  -0.062426   0.363410
-    1SOL     H6    6   0.068906   0.082305   0.341067
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/091/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014962  -0.000862   0.094539
-    0SOL     H3    3   0.004779  -0.092027  -0.025894
-    1SOL     O4    4  -0.237288   0.128711  -0.065230
-    1SOL     H5    5  -0.314414   0.086334  -0.027573
-    1SOL     H6    6  -0.166032   0.066590  -0.050198
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/092/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020030  -0.090600  -0.023510
-    0SOL     H3    3   0.084393   0.045006  -0.003829
-    1SOL     O4    4  -0.025149  -0.012989   0.258674
-    1SOL     H5    5  -0.036825  -0.015405   0.163699
-    1SOL     H6    6   0.059327   0.030194   0.271377
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/093/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.049459  -0.005928  -0.081737
-    0SOL     H3    3  -0.012311  -0.085257   0.041737
-    1SOL     O4    4   0.004381  -0.241858   0.129936
-    1SOL     H5    5   0.090211  -0.283146   0.120404
-    1SOL     H6    6  -0.016538  -0.251164   0.222877
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/094/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008613  -0.004739   0.095214
-    0SOL     H3    3   0.005888   0.093420  -0.020009
-    1SOL     O4    4   0.244804  -0.094288  -0.078676
-    1SOL     H5    5   0.160891  -0.052929  -0.058420
-    1SOL     H6    6   0.309482  -0.041588  -0.031753
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/095/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063141  -0.058152  -0.042354
-    0SOL     H3    3  -0.024636   0.087688  -0.029432
-    1SOL     O4    4   0.011903  -0.027113   0.267095
-    1SOL     H5    5   0.026970  -0.040482   0.173519
-    1SOL     H6    6   0.087368  -0.067848   0.309614
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/096/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009260  -0.002669  -0.095234
-    0SOL     H3    3  -0.010804  -0.090979   0.027722
-    1SOL     O4    4   0.006444  -0.274445   0.026371
-    1SOL     H5    5  -0.012504  -0.275162   0.120194
-    1SOL     H6    6  -0.072038  -0.311232  -0.014244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/097/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005958   0.003498  -0.095470
-    0SOL     H3    3  -0.016999   0.090448   0.026315
-    1SOL     O4    4  -0.010344   0.024110  -0.292468
-    1SOL     H5    5  -0.069388  -0.040359  -0.331453
-    1SOL     H6    6   0.077240  -0.005427  -0.317346
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/098/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073465   0.051052  -0.034043
-    0SOL     H3    3   0.077631   0.050289  -0.024633
-    1SOL     O4    4   0.010427  -0.029457  -0.443626
-    1SOL     H5    5   0.076694   0.028763  -0.406458
-    1SOL     H6    6   0.011738  -0.106585  -0.386953
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/099/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081473  -0.042635   0.026583
-    0SOL     H3    3   0.008766   0.090073   0.031181
-    1SOL     O4    4  -0.214775  -0.122905   0.120290
-    1SOL     H5    5  -0.199002  -0.210341   0.084674
-    1SOL     H6    6  -0.142057  -0.070094   0.087345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/100/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000408   0.095316   0.008775
-    0SOL     H3    3   0.001121  -0.015399  -0.094467
-    1SOL     O4    4  -0.010294   0.268219   0.070942
-    1SOL     H5    5  -0.089297   0.321876   0.064480
-    1SOL     H6    6   0.006174   0.260976   0.164956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/101/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074052  -0.042904   0.042870
-    0SOL     H3    3  -0.000933   0.088459   0.036557
-    1SOL     O4    4   0.038870  -0.002370  -0.273223
-    1SOL     H5    5   0.045162   0.002727  -0.177846
-    1SOL     H6    6   0.116460  -0.051729  -0.299789
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/102/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009362   0.011936  -0.094510
-    0SOL     H3    3  -0.076231   0.052932   0.023440
-    1SOL     O4    4   0.012979   0.010383  -0.273935
-    1SOL     H5    5   0.092041   0.049151  -0.311465
-    1SOL     H6    6   0.006595  -0.075766  -0.315164
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/103/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008340   0.001932  -0.095336
-    0SOL     H3    3  -0.030350   0.087761   0.023219
-    1SOL     O4    4  -0.048535   0.260785   0.084741
-    1SOL     H5    5  -0.070486   0.256152   0.177795
-    1SOL     H6    6  -0.110260   0.324431   0.048663
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/104/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.084524   0.044512   0.006058
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-    6
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-    1SOL     H5    5   0.061792  -0.075347  -0.317294
-    1SOL     H6    6  -0.089248  -0.082529  -0.309938
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-    6
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-    0SOL     H3    3  -0.004469   0.015232  -0.094395
-    1SOL     O4    4   0.384262   0.008968  -0.032584
-    1SOL     H5    5   0.317780  -0.041305   0.014481
-    1SOL     H6    6   0.371056   0.099240  -0.003621
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-    6
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-    0SOL     H2    2  -0.082068   0.026854  -0.041304
-    0SOL     H3    3   0.011943  -0.090975  -0.027263
-    1SOL     O4    4  -0.222013   0.128676  -0.101839
-    1SOL     H5    5  -0.294266   0.086616  -0.055227
-    1SOL     H6    6  -0.218529   0.217275  -0.065775
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000649  -0.084488  -0.044985
-    0SOL     H3    3   0.076697   0.045967  -0.034160
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-    1SOL     H5    5  -0.036648  -0.241780  -0.206636
-    1SOL     H6    6  -0.108156  -0.273392  -0.076997
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077252  -0.044888   0.034346
-    0SOL     H3    3   0.073820  -0.042338   0.043822
-    1SOL     O4    4   0.022294   0.019836  -0.262050
-    1SOL     H5    5   0.050097   0.025928  -0.170660
-    1SOL     H6    6   0.015858   0.110754  -0.291288
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085239  -0.042663  -0.008746
-    0SOL     H3    3   0.060045  -0.056050  -0.049146
-    1SOL     O4    4   0.216008  -0.126476  -0.078278
-    1SOL     H5    5   0.298238  -0.087814  -0.048182
-    1SOL     H6    6   0.215045  -0.214000  -0.039538
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081102  -0.042069   0.028547
-    0SOL     H3    3  -0.004404   0.088182   0.036971
-    1SOL     O4    4  -0.213140  -0.122710   0.131012
-    1SOL     H5    5  -0.208307  -0.124756   0.226588
-    1SOL     H6    6  -0.205863  -0.214439   0.104647
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021114   0.028727   0.088833
-    0SOL     H3    3  -0.072787   0.031770  -0.053434
-    1SOL     O4    4   0.254699   0.073948  -0.098574
-    1SOL     H5    5   0.164963   0.062542  -0.067272
-    1SOL     H6    6   0.273408   0.166762  -0.084505
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/113/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032501   0.087132  -0.022671
-    0SOL     H3    3   0.070820  -0.059308  -0.025089
-    1SOL     O4    4  -0.019113   0.008314   0.271519
-    1SOL     H5    5   0.000474   0.005359   0.177872
-    1SOL     H6    6  -0.096598  -0.046977   0.281587
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/114/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001044   0.024150  -0.092617
-    0SOL     H3    3   0.083438   0.032177   0.034134
-    1SOL     O4    4  -0.033058  -0.254306   0.076348
-    1SOL     H5    5  -0.027255  -0.269430   0.170688
-    1SOL     H6    6  -0.000805  -0.164988   0.064334
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039432  -0.006932  -0.086945
-    0SOL     H3    3   0.054015  -0.056341   0.055411
-    1SOL     O4    4  -0.245479  -0.119191   0.084874
-    1SOL     H5    5  -0.326825  -0.081825   0.050978
-    1SOL     H6    6  -0.176894  -0.081118   0.030020
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/116/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012558  -0.002292  -0.094865
-    0SOL     H3    3  -0.009311  -0.091165   0.027650
-    1SOL     O4    4  -0.032632  -0.258615   0.087328
-    1SOL     H5    5  -0.106903  -0.304700   0.048310
-    1SOL     H6    6   0.042790  -0.314522   0.068670
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/117/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008455  -0.006205   0.095144
-    0SOL     H3    3  -0.072048   0.057024  -0.026828
-    1SOL     O4    4  -0.012812  -0.272595  -0.072081
-    1SOL     H5    5  -0.005686  -0.273343  -0.167533
-    1SOL     H6    6  -0.020432  -0.179935  -0.049311
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/118/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078604  -0.044913  -0.031090
-    0SOL     H3    3   0.001298  -0.012288   0.094919
-    1SOL     O4    4   0.213058  -0.113585  -0.098312
-    1SOL     H5    5   0.210237  -0.203811  -0.066476
-    1SOL     H6    6   0.297222  -0.079911  -0.067576
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/119/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011860  -0.011839   0.094242
-    0SOL     H3    3  -0.022115  -0.087256  -0.032554
-    1SOL     O4    4  -0.201492   0.160637  -0.090690
-    1SOL     H5    5  -0.277730   0.116031  -0.053807
-    1SOL     H6    6  -0.126386   0.112784  -0.055599
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/120/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080949   0.047794   0.018036
-    0SOL     H3    3   0.069327   0.056452   0.034195
-    1SOL     O4    4   0.031168  -0.271897   0.116265
-    1SOL     H5    5  -0.058047  -0.304409   0.104185
-    1SOL     H6    6   0.037726  -0.197152   0.056830
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/121/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009236  -0.017867  -0.093583
-    0SOL     H3    3  -0.076694  -0.041040   0.039951
-    1SOL     O4    4  -0.206656  -0.126684   0.151605
-    1SOL     H5    5  -0.284834  -0.080852   0.120785
-    1SOL     H6    6  -0.212061  -0.213251   0.111119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/122/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011428   0.017657  -0.093381
-    0SOL     H3    3   0.022429   0.084977   0.037923
-    1SOL     O4    4   0.029746   0.255409   0.035452
-    1SOL     H5    5   0.034408   0.243847   0.130357
-    1SOL     H6    6   0.107882   0.306196   0.013595
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/123/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007575   0.005112  -0.095283
-    0SOL     H3    3   0.090349   0.003117   0.031458
-    1SOL     O4    4  -0.014265   0.004972  -0.259999
-    1SOL     H5    5   0.068075  -0.029746  -0.294307
-    1SOL     H6    6  -0.014651   0.096827  -0.286922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/124/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088674  -0.029033   0.021360
-    0SOL     H3    3   0.057110  -0.063432   0.043326
-    1SOL     O4    4   0.218840   0.396948   0.026312
-    1SOL     H5    5   0.214194   0.484419   0.064906
-    1SOL     H6    6   0.135940   0.355630   0.050454
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.063003  -0.044470  -0.056704
-    1SOL     O4    4  -0.223447  -0.111122  -0.122282
-    1SOL     H5    5  -0.217657  -0.122958  -0.217090
-    1SOL     H6    6  -0.219266  -0.199891  -0.086715
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018603   0.002241  -0.093868
-    0SOL     H3    3  -0.008203  -0.092326   0.023894
-    1SOL     O4    4  -0.018759  -0.241941   0.119083
-    1SOL     H5    5  -0.090174  -0.287320   0.074329
-    1SOL     H6    6   0.060257  -0.288282   0.091313
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073682  -0.040895  -0.045397
-    0SOL     H3    3  -0.004433   0.092217  -0.025273
-    1SOL     O4    4   0.002442  -0.005233   0.265218
-    1SOL     H5    5   0.005679  -0.018739   0.170511
-    1SOL     H6    6  -0.006153   0.089526   0.275665
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016511   0.019224  -0.092305
-    0SOL     H3    3   0.059271   0.058165   0.047603
-    1SOL     O4    4  -0.019083  -0.267429   0.086116
-    1SOL     H5    5   0.070912  -0.299545   0.080475
-    1SOL     H6    6  -0.015592  -0.179502   0.048448
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007440   0.004165  -0.095339
-    0SOL     H3    3  -0.082287  -0.039528   0.028789
-    1SOL     O4    4   0.238346  -0.115640   0.089757
-    1SOL     H5    5   0.156475  -0.077954   0.057519
-    1SOL     H6    6   0.305782  -0.053423   0.062485
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010408  -0.038405  -0.087058
-    0SOL     H3    3   0.074750  -0.046273   0.037863
-    1SOL     O4    4  -0.050529  -0.022789  -0.291538
-    1SOL     H5    5  -0.138961  -0.056960  -0.304748
-    1SOL     H6    6  -0.052945   0.065215  -0.329112
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015015  -0.006103  -0.094338
-    0SOL     H3    3   0.000177   0.093954   0.018300
-    1SOL     O4    4  -0.014791   0.254913   0.076777
-    1SOL     H5    5  -0.020725   0.252140   0.172272
-    1SOL     H6    6  -0.078134   0.321782   0.050728
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016137  -0.016004  -0.092983
-    0SOL     H3    3   0.077439   0.047630   0.029947
-    1SOL     O4    4  -0.010522  -0.311855   0.055077
-    1SOL     H5    5  -0.036869  -0.232390   0.008671
-    1SOL     H6    6  -0.079225  -0.375359   0.034841
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001605  -0.088040   0.037534
-    0SOL     H3    3   0.069260   0.045325   0.048073
-    1SOL     O4    4   0.014217  -0.267095   0.076484
-    1SOL     H5    5   0.038227  -0.255350   0.168396
-    1SOL     H6    6  -0.050435  -0.337675   0.077400
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083744   0.040108   0.023250
-    0SOL     H3    3   0.064606   0.047125   0.052608
-    1SOL     O4    4   0.000992  -0.270776   0.043675
-    1SOL     H5    5   0.016593  -0.267694   0.138065
-    1SOL     H6    6  -0.000661  -0.178976   0.016614
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012700  -0.002561  -0.094839
-    0SOL     H3    3   0.081358   0.048981   0.012004
-    1SOL     O4    4  -0.019351  -0.253890   0.147674
-    1SOL     H5    5  -0.102747  -0.289977   0.117588
-    1SOL     H6    6  -0.012353  -0.169382   0.103267
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006342  -0.009599  -0.095026
-    0SOL     H3    3   0.076357  -0.052329   0.024363
-    1SOL     O4    4   0.001025   0.260591   0.123760
-    1SOL     H5    5  -0.077570   0.294641   0.081031
-    1SOL     H6    6  -0.002654   0.166090   0.108981
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003803   0.006941   0.095392
-    0SOL     H3    3   0.084285   0.034104  -0.029923
-    1SOL     O4    4   0.001477  -0.248262  -0.122986
-    1SOL     H5    5  -0.083026  -0.286511  -0.099351
-    1SOL     H6    6   0.002099  -0.162864  -0.079753
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018867  -0.090418   0.025117
-    0SOL     H3    3   0.009152   0.000848  -0.095278
-    1SOL     O4    4   0.216051   0.386314  -0.037115
-    1SOL     H5    5   0.304671   0.421642  -0.044907
-    1SOL     H6    6   0.227454   0.302618   0.007911
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004136   0.006464   0.095412
-    0SOL     H3    3   0.077157  -0.051341  -0.023942
-    1SOL     O4    4   0.028350   0.014512   0.264763
-    1SOL     H5    5   0.109109  -0.019515   0.303266
-    1SOL     H6    6   0.029325   0.107928   0.285613
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016707   0.016706  -0.092758
-    0SOL     H3    3  -0.021514   0.085892   0.036360
-    1SOL     O4    4   0.223631  -0.138548   0.103570
-    1SOL     H5    5   0.157763  -0.085249   0.059040
-    1SOL     H6    6   0.204824  -0.127066   0.196719
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-    6
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-    0SOL     H2    2  -0.027908   0.016937  -0.089981
-    0SOL     H3    3   0.016467  -0.094255   0.002680
-    1SOL     O4    4   0.010597  -0.262008   0.039644
-    1SOL     H5    5   0.019506  -0.301177   0.126528
-    1SOL     H6    6   0.082328  -0.299841  -0.011205
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073235   0.050209  -0.035750
-    0SOL     H3    3   0.075716   0.057743  -0.009753
-    1SOL     O4    4   0.203223   0.129699  -0.069019
-    1SOL     H5    5   0.210932   0.140123  -0.163857
-    1SOL     H6    6   0.225532   0.215750  -0.033525
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/143/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018947   0.020833   0.091484
-    0SOL     H3    3  -0.077287  -0.047682  -0.030258
-    1SOL     O4    4   0.021730   0.022934   0.273902
-    1SOL     H5    5  -0.057828  -0.019277   0.306323
-    1SOL     H6    6   0.006092   0.116521   0.286521
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/144/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022374   0.013071   0.092146
-    0SOL     H3    3   0.079228   0.024742  -0.047677
-    1SOL     O4    4   0.020143  -0.269381  -0.079600
-    1SOL     H5    5  -0.010636  -0.184359  -0.048194
-    1SOL     H6    6  -0.057219  -0.325649  -0.076232
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/145/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005661  -0.004738  -0.095435
-    0SOL     H3    3  -0.009006   0.093177   0.019979
-    1SOL     O4    4  -0.265652  -0.130567   0.055901
-    1SOL     H5    5  -0.343959  -0.094501   0.014312
-    1SOL     H6    6  -0.198864  -0.063052   0.043932
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/146/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001352  -0.092025   0.026303
-    0SOL     H3    3   0.082157   0.033911   0.035533
-    1SOL     O4    4  -0.253429   0.103647   0.088188
-    1SOL     H5    5  -0.170514   0.074480   0.050285
-    1SOL     H6    6  -0.263228   0.193916   0.057892
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/147/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076088   0.051866  -0.026132
-    0SOL     H3    3   0.075287   0.053610  -0.024902
-    1SOL     O4    4   0.256380   0.124707  -0.090921
-    1SOL     H5    5   0.241713   0.125014  -0.185510
-    1SOL     H6    6   0.248393   0.216531  -0.065098
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/148/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007018  -0.019372   0.093476
-    0SOL     H3    3   0.079740   0.048848  -0.020439
-    1SOL     O4    4  -0.007062  -0.254542  -0.084430
-    1SOL     H5    5   0.086659  -0.263018  -0.066911
-    1SOL     H6    6  -0.031307  -0.170638  -0.045254
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/149/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089639   0.030400  -0.014246
-    0SOL     H3    3   0.019002   0.023080   0.090931
-    1SOL     O4    4   0.034475   0.037931   0.266072
-    1SOL     H5    5   0.027212  -0.052566   0.296403
-    1SOL     H6    6   0.119455   0.067453   0.298770
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/150/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012412   0.007640   0.094604
-    0SOL     H3    3   0.082824  -0.035503  -0.032282
-    1SOL     O4    4   0.006909   0.270447  -0.073485
-    1SOL     H5    5  -0.066536   0.329375  -0.056290
-    1SOL     H6    6  -0.015331   0.190048  -0.026542
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/151/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000458  -0.019027   0.093809
-    0SOL     H3    3  -0.018593   0.093742  -0.005383
-    1SOL     O4    4  -0.208322  -0.138771  -0.103484
-    1SOL     H5    5  -0.200917  -0.145246  -0.198697
-    1SOL     H6    6  -0.140959  -0.075555  -0.078418
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/152/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082235   0.042521  -0.024325
-    0SOL     H3    3   0.067936   0.055249  -0.038659
-    1SOL     O4    4   0.205677   0.149362  -0.095603
-    1SOL     H5    5   0.190922   0.149476  -0.190179
-    1SOL     H6    6   0.209667   0.241995  -0.071825
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/153/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012226   0.023780  -0.091909
-    0SOL     H3    3   0.072724  -0.059149   0.019363
-    1SOL     O4    4   0.015922   0.041200  -0.298827
-    1SOL     H5    5  -0.057780  -0.018576  -0.311367
-    1SOL     H6    6   0.090011  -0.003027  -0.340264
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/154/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080834   0.043793   0.026653
-    0SOL     H3    3   0.007368  -0.088216   0.036414
-    1SOL     O4    4  -0.000987  -0.241423   0.093111
-    1SOL     H5    5  -0.066899  -0.308358   0.074738
-    1SOL     H6    6   0.081861  -0.289313   0.095396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/155/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017504   0.006765   0.093863
-    0SOL     H3    3   0.024631   0.085525  -0.035231
-    1SOL     O4    4   0.049070   0.246787  -0.108809
-    1SOL     H5    5  -0.028017   0.292410  -0.075067
-    1SOL     H6    6   0.120087   0.310455  -0.100726
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/156/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082985  -0.039094   0.027340
-    0SOL     H3    3  -0.000767   0.087509   0.038781
-    1SOL     O4    4   0.421238   0.037058  -0.026221
-    1SOL     H5    5   0.361877  -0.012353   0.030323
-    1SOL     H6    6   0.431883   0.121307   0.017951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/157/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010878  -0.017051  -0.093559
-    0SOL     H3    3  -0.084802   0.034323   0.028158
-    1SOL     O4    4   0.219953   0.107437   0.111737
-    1SOL     H5    5   0.146011   0.063729   0.069494
-    1SOL     H6    6   0.297188   0.062496   0.077424
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/158/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077804   0.048855  -0.026870
-    0SOL     H3    3  -0.012948  -0.087612  -0.036315
-    1SOL     O4    4  -0.030640  -0.252838  -0.130236
-    1SOL     H5    5  -0.028217  -0.238903  -0.224906
-    1SOL     H6    6  -0.100654  -0.316789  -0.117176
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/159/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070827   0.053437  -0.035921
-    0SOL     H3    3   0.079227   0.051289  -0.015966
-    1SOL     O4    4  -0.207161   0.111247  -0.124332
-    1SOL     H5    5  -0.202502   0.112359  -0.219933
-    1SOL     H6    6  -0.282687   0.055841  -0.104628
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/160/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069822   0.060901  -0.024047
-    0SOL     H3    3   0.080842   0.046210  -0.022171
-    1SOL     O4    4   0.003645   0.027763   0.295977
-    1SOL     H5    5  -0.002194   0.014826   0.201315
-    1SOL     H6    6   0.031244  -0.057277   0.330164
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017365  -0.011600  -0.093414
-    0SOL     H3    3  -0.076900  -0.036873   0.043465
-    1SOL     O4    4  -0.024425  -0.034289  -0.283497
-    1SOL     H5    5  -0.090791  -0.086999  -0.327988
-    1SOL     H6    6   0.058978  -0.069117  -0.315014
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/162/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009621  -0.001715   0.095220
-    0SOL     H3    3  -0.010057  -0.091912  -0.024764
-    1SOL     O4    4  -0.029008  -0.235894  -0.103531
-    1SOL     H5    5   0.005972  -0.224587  -0.191911
-    1SOL     H6    6   0.038529  -0.285380  -0.057140
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/163/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.019503  -0.001499   0.093700
-    0SOL     H3    3  -0.072957  -0.046939  -0.040453
-    1SOL     O4    4   0.221257  -0.109775  -0.061637
-    1SOL     H5    5   0.246868  -0.100412  -0.153391
-    1SOL     H6    6   0.143832  -0.054231  -0.052545
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/164/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.034404   0.015630  -0.087945
-    0SOL     H3    3  -0.069165  -0.049000   0.044469
-    1SOL     O4    4  -0.217078  -0.157774   0.079248
-    1SOL     H5    5  -0.305990  -0.124566   0.066824
-    1SOL     H6    6  -0.224077  -0.251820   0.062860
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/165/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018869  -0.010359  -0.093268
-    0SOL     H3    3   0.015206  -0.086811   0.037348
-    1SOL     O4    4   0.033656  -0.000090  -0.251990
-    1SOL     H5    5  -0.041671   0.050904  -0.281786
-    1SOL     H6    6   0.109659   0.047926  -0.284861
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/166/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039861   0.017352   0.085278
-    0SOL     H3    3   0.048282   0.055900  -0.060880
-    1SOL     O4    4   0.208529   0.140167  -0.118406
-    1SOL     H5    5   0.222518   0.138072  -0.213076
-    1SOL     H6    6   0.224249   0.231334  -0.093836
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/167/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075532  -0.055552  -0.019267
-    0SOL     H3    3   0.075516  -0.058062  -0.009407
-    1SOL     O4    4  -0.207233  -0.360743  -0.003279
-    1SOL     H5    5  -0.293558  -0.396526  -0.024013
-    1SOL     H6    6  -0.145701  -0.427780  -0.032982
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/168/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083548  -0.027632   0.037663
-    0SOL     H3    3  -0.008552   0.091893   0.025396
-    1SOL     O4    4   0.021408   0.247367   0.085291
-    1SOL     H5    5   0.012679   0.257994   0.180018
-    1SOL     H6    6  -0.054043   0.293676   0.048893
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/169/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084626  -0.035889   0.026698
-    0SOL     H3    3   0.064419  -0.060336   0.037043
-    1SOL     O4    4  -0.036442  -0.005260  -0.273985
-    1SOL     H5    5  -0.020701  -0.002884  -0.179598
-    1SOL     H6    6  -0.112000  -0.063119  -0.284265
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/170/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010632  -0.080375  -0.050883
-    0SOL     H3    3  -0.029501  -0.023254   0.088041
-    1SOL     O4    4  -0.004375  -0.015828   0.264778
-    1SOL     H5    5  -0.077729   0.039115   0.292396
-    1SOL     H6    6  -0.002233  -0.086958   0.328795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/171/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000282  -0.027953  -0.091547
-    0SOL     H3    3  -0.084943   0.042340   0.012426
-    1SOL     O4    4   0.225460   0.116479   0.120091
-    1SOL     H5    5   0.217376   0.102024   0.214367
-    1SOL     H6    6   0.141185   0.088657   0.084232
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/172/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073427   0.051515  -0.033421
-    0SOL     H3    3  -0.007822  -0.084486  -0.044308
-    1SOL     O4    4   0.031127  -0.006528   0.297607
-    1SOL     H5    5   0.018880  -0.020889   0.203766
-    1SOL     H6    6   0.103577   0.055788   0.303094
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/173/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068062   0.055370  -0.038263
-    0SOL     H3    3   0.082218   0.040076  -0.028220
-    1SOL     O4    4  -0.203336   0.143931  -0.080263
-    1SOL     H5    5  -0.206393   0.140866  -0.175885
-    1SOL     H6    6  -0.286003   0.104580  -0.052335
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005067  -0.093918  -0.017778
-    0SOL     H3    3   0.083119   0.027323  -0.038819
-    1SOL     O4    4   0.017615  -0.256148  -0.094518
-    1SOL     H5    5  -0.020421  -0.265940  -0.181808
-    1SOL     H6    6   0.099384  -0.305768  -0.098266
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010211  -0.005591   0.095009
-    0SOL     H3    3  -0.071325   0.057130  -0.028481
-    1SOL     O4    4   0.269140   0.110029  -0.085587
-    1SOL     H5    5   0.184432   0.068785  -0.068683
-    1SOL     H6    6   0.259492   0.199222  -0.052212
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/176/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074720   0.048402  -0.035164
-    0SOL     H3    3   0.076606   0.044224  -0.036581
-    1SOL     O4    4   0.003215  -0.282182  -0.081438
-    1SOL     H5    5   0.085373  -0.324914  -0.057222
-    1SOL     H6    6   0.004658  -0.198912  -0.034254
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/177/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002450   0.011740  -0.094966
-    0SOL     H3    3   0.007628   0.088777   0.034968
-    1SOL     O4    4   0.021538   0.258130   0.062992
-    1SOL     H5    5  -0.063949   0.300249   0.054031
-    1SOL     H6    6   0.084067   0.324139   0.033072
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079178   0.025974  -0.047102
-    0SOL     H3    3   0.017874  -0.089002  -0.030355
-    1SOL     O4    4  -0.225363   0.121113  -0.078257
-    1SOL     H5    5  -0.236306   0.102619  -0.171534
-    1SOL     H6    6  -0.295334   0.071637  -0.035611
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024463  -0.088323  -0.027621
-    0SOL     H3    3   0.084430   0.015830  -0.042229
-    1SOL     O4    4  -0.016781   0.028795   0.265409
-    1SOL     H5    5  -0.020309   0.021391   0.170041
-    1SOL     H6    6  -0.095484   0.078102   0.288580
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/180/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084302   0.040267   0.020836
-    0SOL     H3    3  -0.008391  -0.090365   0.030433
-    1SOL     O4    4   0.000009  -0.263435   0.087298
-    1SOL     H5    5   0.006315  -0.256639   0.182568
-    1SOL     H6    6   0.086808  -0.292712   0.059529
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/181/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003518  -0.007843  -0.095333
-    0SOL     H3    3   0.019062   0.092210   0.017214
-    1SOL     O4    4   0.067552   0.264302   0.056675
-    1SOL     H5    5   0.070138   0.268864   0.152251
-    1SOL     H6    6   0.151036   0.301775   0.028593
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/182/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003224  -0.011473   0.094975
-    0SOL     H3    3   0.083949   0.043064  -0.016135
-    1SOL     O4    4   0.040053  -0.002781   0.283906
-    1SOL     H5    5  -0.036190   0.041126   0.321608
-    1SOL     H6    6   0.029409  -0.094680   0.308475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/183/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053865  -0.003004   0.079069
-    0SOL     H3    3  -0.080842  -0.045123   0.024306
-    1SOL     O4    4   0.003816  -0.022487   0.273429
-    1SOL     H5    5   0.083196  -0.059220   0.312312
-    1SOL     H6    6  -0.004095   0.064469   0.312650
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/184/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008314  -0.091331  -0.027421
-    0SOL     H3    3   0.063531   0.047120  -0.053906
-    1SOL     O4    4  -0.029186   0.034534   0.269786
-    1SOL     H5    5  -0.017129   0.023230   0.175503
-    1SOL     H6    6   0.044572   0.089118   0.297038
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/185/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071101   0.049507  -0.040694
-    0SOL     H3    3  -0.006762  -0.087508  -0.038197
-    1SOL     O4    4  -0.225796   0.111510  -0.129430
-    1SOL     H5    5  -0.219737   0.205287  -0.111225
-    1SOL     H6    6  -0.306640   0.083860  -0.086280
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/186/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013263   0.029341  -0.090142
-    0SOL     H3    3   0.005529  -0.095441  -0.004769
-    1SOL     O4    4   0.028332   0.055103  -0.266773
-    1SOL     H5    5  -0.044755   0.113874  -0.285922
-    1SOL     H6    6   0.104695   0.098633  -0.304669
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/187/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087759  -0.033634   0.018149
-    0SOL     H3    3   0.008634  -0.005583  -0.095166
-    1SOL     O4    4  -0.001005  -0.015268  -0.279865
-    1SOL     H5    5   0.079259  -0.045348  -0.322470
-    1SOL     H6    6  -0.071581  -0.049659  -0.334624
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/188/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081420  -0.042834   0.026428
-    0SOL     H3    3  -0.000195   0.082843   0.047951
-    1SOL     O4    4   0.022382   0.019060  -0.278830
-    1SOL     H5    5   0.013796   0.030044  -0.184130
-    1SOL     H6    6  -0.052368  -0.035380  -0.303549
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/189/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.062278  -0.068355  -0.024724
-    0SOL     H3    3   0.085980  -0.039815  -0.013588
-    1SOL     O4    4   0.014312  -0.039643   0.298655
-    1SOL     H5    5   0.011692  -0.021361   0.204733
-    1SOL     H6    6   0.093609  -0.091877   0.310734
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/190/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012569  -0.083443  -0.045184
-    0SOL     H3    3   0.061231   0.059892  -0.042732
-    1SOL     O4    4   0.197792   0.135494  -0.143045
-    1SOL     H5    5   0.187595   0.108858  -0.234418
-    1SOL     H6    6   0.291347   0.125509  -0.125435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/191/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004791   0.003041  -0.095552
-    0SOL     H3    3  -0.083797   0.041148   0.021149
-    1SOL     O4    4   0.465607  -0.014824  -0.022285
-    1SOL     H5    5   0.486364  -0.029367  -0.114589
-    1SOL     H6    6   0.549114   0.009791   0.017502
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/192/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071822   0.055266  -0.030816
-    0SOL     H3    3   0.078918   0.041752  -0.034511
-    1SOL     O4    4  -0.228409   0.151607  -0.065962
-    1SOL     H5    5  -0.306671   0.120932  -0.020176
-    1SOL     H6    6  -0.222954   0.244714  -0.044430
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/193/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064591  -0.069944   0.009907
-    0SOL     H3    3  -0.042621   0.077412   0.036784
-    1SOL     O4    4  -0.214700  -0.159788   0.079037
-    1SOL     H5    5  -0.203087  -0.158647   0.174043
-    1SOL     H6    6  -0.221843  -0.252626   0.056846
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/194/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052600  -0.059886   0.053002
-    0SOL     H3    3   0.083440  -0.045391  -0.011820
-    1SOL     O4    4   0.059693   0.224420   0.122083
-    1SOL     H5    5   0.042531   0.148736   0.066049
-    1SOL     H6    6   0.132857   0.269440   0.079863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/195/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013941  -0.092404   0.020725
-    0SOL     H3    3   0.084287   0.041623   0.018041
-    1SOL     O4    4   0.004530  -0.265764   0.076542
-    1SOL     H5    5   0.033990  -0.278689   0.166694
-    1SOL     H6    6   0.071994  -0.307558   0.023024
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/196/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001424  -0.011621  -0.095001
-    0SOL     H3    3   0.075219  -0.051414   0.029342
-    1SOL     O4    4   0.192480  -0.164753   0.118748
-    1SOL     H5    5   0.178736  -0.247319   0.072313
-    1SOL     H6    6   0.283417  -0.141510   0.099972
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/197/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077415  -0.054043  -0.015765
-    0SOL     H3    3   0.023683   0.086323  -0.033909
-    1SOL     O4    4   0.004404   0.265176  -0.118647
-    1SOL     H5    5   0.089064   0.302881  -0.094701
-    1SOL     H6    6  -0.059988   0.327668  -0.085320
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/198/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002121   0.007463  -0.095405
-    0SOL     H3    3  -0.013824  -0.093273   0.016474
-    1SOL     O4    4   0.209052  -0.377017   0.012347
-    1SOL     H5    5   0.206600  -0.470920   0.030751
-    1SOL     H6    6   0.296617  -0.349515   0.039518
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/199/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011801   0.002619   0.094954
-    0SOL     H3    3   0.000087   0.091916  -0.026717
-    1SOL     O4    4  -0.225993  -0.118201  -0.111622
-    1SOL     H5    5  -0.230290  -0.121545  -0.207187
-    1SOL     H6    6  -0.141844  -0.076633  -0.092823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/200/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073885   0.049960  -0.034745
-    0SOL     H3    3  -0.012772  -0.088545  -0.034044
-    1SOL     O4    4  -0.001798   0.010748   0.266660
-    1SOL     H5    5   0.007445   0.016151   0.171540
-    1SOL     H6    6   0.066741   0.068225   0.300735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/201/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003846  -0.024631  -0.092417
-    0SOL     H3    3   0.082170  -0.037677   0.031479
-    1SOL     O4    4  -0.012690  -0.018028  -0.275747
-    1SOL     H5    5  -0.095020  -0.063023  -0.294711
-    1SOL     H6    6   0.054357  -0.072002  -0.317625
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/202/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018715  -0.085389   0.038998
-    0SOL     H3    3  -0.075576   0.054012   0.023091
-    1SOL     O4    4   0.225084   0.118992   0.131125
-    1SOL     H5    5   0.145094   0.075172   0.102078
-    1SOL     H6    6   0.294923   0.077474   0.080517
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/203/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092430  -0.019045   0.016006
-    0SOL     H3    3  -0.010843   0.091058   0.027444
-    1SOL     O4    4   0.026798   0.309302   0.086403
-    1SOL     H5    5   0.045351   0.321997   0.179446
-    1SOL     H6    6   0.104479   0.342842   0.041647
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/204/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079050   0.034237   0.041729
-    0SOL     H3    3   0.015527  -0.083966   0.043255
-    1SOL     O4    4   0.204820   0.172982   0.091021
-    1SOL     H5    5   0.131524   0.115029   0.070249
-    1SOL     H6    6   0.282244   0.125565   0.060701
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/205/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000588   0.001860   0.095700
-    0SOL     H3    3   0.077074   0.050730  -0.025464
-    1SOL     O4    4  -0.010729  -0.256441  -0.093264
-    1SOL     H5    5  -0.085252  -0.312176  -0.070853
-    1SOL     H6    6  -0.026794  -0.174752  -0.046030
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/206/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008256   0.003775   0.095289
-    0SOL     H3    3  -0.008457   0.091004  -0.028445
-    1SOL     O4    4  -0.016016   0.276837  -0.060939
-    1SOL     H5    5  -0.024505   0.289916  -0.155381
-    1SOL     H6    6   0.063330   0.324781  -0.037108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/207/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007948   0.003930  -0.095308
-    0SOL     H3    3  -0.015918   0.089779   0.029132
-    1SOL     O4    4   0.004094   0.021168  -0.271992
-    1SOL     H5    5   0.087727  -0.001524  -0.312648
-    1SOL     H6    6  -0.013576   0.110441  -0.301665
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/208/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018550  -0.021148   0.091493
-    0SOL     H3    3  -0.079305  -0.025585  -0.047100
-    1SOL     O4    4  -0.015747   0.004764   0.273339
-    1SOL     H5    5  -0.100501  -0.037903   0.285927
-    1SOL     H6    6   0.048220  -0.059270   0.304488
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/209/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011054   0.027502  -0.091015
-    0SOL     H3    3   0.081029   0.042431   0.028219
-    1SOL     O4    4  -0.233908   0.073437   0.146189
-    1SOL     H5    5  -0.160347   0.036892   0.097042
-    1SOL     H6    6  -0.241036   0.163701   0.115142
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077004   0.035496  -0.044416
-    0SOL     H3    3   0.008588  -0.088963  -0.034267
-    1SOL     O4    4   0.216988   0.144785  -0.101544
-    1SOL     H5    5   0.140104   0.101852  -0.064021
-    1SOL     H6    6   0.290020   0.087125  -0.079096
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/211/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009932   0.010320   0.094642
-    0SOL     H3    3  -0.038283   0.079563  -0.036965
-    1SOL     O4    4   0.210669  -0.139924  -0.077489
-    1SOL     H5    5   0.126363  -0.107065  -0.046261
-    1SOL     H6    6   0.224262  -0.221215  -0.028814
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/212/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083570   0.037312   0.028039
-    0SOL     H3    3  -0.002239  -0.090326   0.031599
-    1SOL     O4    4   0.410275  -0.016278  -0.018393
-    1SOL     H5    5   0.421160  -0.020723  -0.113388
-    1SOL     H6    6   0.474334   0.048899   0.010080
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/213/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085293  -0.040537  -0.015630
-    0SOL     H3    3   0.013436  -0.008013   0.094433
-    1SOL     O4    4   0.030883   0.257426  -0.082968
-    1SOL     H5    5  -0.041764   0.298397  -0.035998
-    1SOL     H6    6   0.036978   0.169462  -0.045719
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006158   0.006766   0.095282
-    0SOL     H3    3  -0.077738  -0.053721  -0.015270
-    1SOL     O4    4  -0.195829  -0.166248  -0.079715
-    1SOL     H5    5  -0.275364  -0.128736  -0.041909
-    1SOL     H6    6  -0.198329  -0.258478  -0.054227
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/215/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072404  -0.045211  -0.043313
-    0SOL     H3    3  -0.005029   0.084876  -0.043966
-    1SOL     O4    4  -0.045899   0.256612  -0.066132
-    1SOL     H5    5  -0.120285   0.306397  -0.032214
-    1SOL     H6    6   0.030539   0.296092  -0.024170
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/216/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007849   0.005876  -0.095217
-    0SOL     H3    3  -0.086162  -0.029561   0.029404
-    1SOL     O4    4   0.175621  -0.119689   0.307769
-    1SOL     H5    5   0.177650  -0.136983   0.213646
-    1SOL     H6    6   0.096032  -0.068183   0.320995
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/217/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024057   0.018250   0.090832
-    0SOL     H3    3   0.027974   0.084633  -0.034886
-    1SOL     O4    4  -0.247651  -0.089906  -0.107700
-    1SOL     H5    5  -0.317894  -0.046901  -0.058927
-    1SOL     H6    6  -0.167687  -0.046604  -0.077814
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/218/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067683  -0.037550  -0.056314
-    0SOL     H3    3  -0.028707   0.078751  -0.046222
-    1SOL     O4    4   0.196755  -0.140413  -0.156192
-    1SOL     H5    5   0.187051  -0.218717  -0.102001
-    1SOL     H6    6   0.272670  -0.095097  -0.119508
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/219/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073245  -0.057558  -0.022013
-    0SOL     H3    3   0.017205   0.080491  -0.048861
-    1SOL     O4    4   0.046523  -0.042517   0.266783
-    1SOL     H5    5   0.025700  -0.050542   0.173700
-    1SOL     H6    6   0.045013   0.051688   0.283678
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/220/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000595   0.023746   0.092726
-    0SOL     H3    3   0.083422  -0.044855  -0.013822
-    1SOL     O4    4  -0.242652  -0.082714  -0.088627
-    1SOL     H5    5  -0.250648  -0.054998  -0.179898
-    1SOL     H6    6  -0.158416  -0.047326  -0.060092
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/221/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087295  -0.023726  -0.031289
-    0SOL     H3    3   0.002218   0.095551  -0.005228
-    1SOL     O4    4   0.007759   0.047388   0.259121
-    1SOL     H5    5  -0.010285   0.012080   0.172000
-    1SOL     H6    6   0.076173  -0.009520   0.294383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/222/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012810  -0.092406  -0.021434
-    0SOL     H3    3   0.088355   0.019810  -0.031037
-    1SOL     O4    4  -0.211383   0.154382  -0.087230
-    1SOL     H5    5  -0.232248   0.154789  -0.180647
-    1SOL     H6    6  -0.134964   0.097201  -0.079957
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/223/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078003   0.048393  -0.027131
-    0SOL     H3    3   0.073205   0.055783  -0.026298
-    1SOL     O4    4   0.209452   0.145400  -0.123673
-    1SOL     H5    5   0.214896   0.142415  -0.219192
-    1SOL     H6    6   0.202696   0.238599  -0.102922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/224/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006113  -0.007710  -0.095213
-    0SOL     H3    3   0.075733  -0.048414   0.032909
-    1SOL     O4    4  -0.026504   0.248875   0.329106
-    1SOL     H5    5  -0.015526   0.264001   0.235228
-    1SOL     H6    6   0.040435   0.303568   0.370216
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/225/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011543  -0.004661  -0.094907
-    0SOL     H3    3  -0.083098   0.034543   0.032615
-    1SOL     O4    4   0.230737   0.147069   0.099053
-    1SOL     H5    5   0.228331   0.235115   0.061577
-    1SOL     H6    6   0.158088   0.101087   0.056981
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/226/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008895  -0.002647  -0.095269
-    0SOL     H3    3   0.078037  -0.052329   0.018280
-    1SOL     O4    4  -0.021332   0.260289   0.094531
-    1SOL     H5    5   0.007771   0.176125   0.059435
-    1SOL     H6    6   0.049397   0.321055   0.072912
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/227/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077879  -0.054576   0.010893
-    0SOL     H3    3   0.070124  -0.049524   0.042336
-    1SOL     O4    4  -0.213713  -0.135633   0.065905
-    1SOL     H5    5  -0.229023  -0.146471   0.159769
-    1SOL     H6    6  -0.279746  -0.072212   0.037983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/228/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006543  -0.017473  -0.093884
-    0SOL     H3    3   0.083871   0.040071   0.022856
-    1SOL     O4    4   0.006532  -0.260510   0.092824
-    1SOL     H5    5   0.086108  -0.294486   0.051890
-    1SOL     H6    6   0.003528  -0.168471   0.066708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/229/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.066592  -0.037907  -0.057366
-    0SOL     H3    3  -0.013219   0.088564  -0.033824
-    1SOL     O4    4   0.177486   0.384237   0.035568
-    1SOL     H5    5   0.105016   0.336318  -0.004609
-    1SOL     H6    6   0.165498   0.474654   0.006527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/230/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010831  -0.008348   0.094738
-    0SOL     H3    3   0.031154   0.089600  -0.012791
-    1SOL     O4    4  -0.005021   0.258743  -0.062442
-    1SOL     H5    5  -0.085852   0.306857  -0.044730
-    1SOL     H6    6   0.064502   0.323487  -0.050736
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/231/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001778  -0.090726   0.030462
-    0SOL     H3    3   0.087619   0.033458   0.019124
-    1SOL     O4    4  -0.251249   0.112148   0.084970
-    1SOL     H5    5  -0.167952   0.065400   0.078750
-    1SOL     H6    6  -0.235736   0.194971   0.039562
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/232/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.061094  -0.052931   0.051265
-    0SOL     H3    3   0.007423   0.087917   0.037118
-    1SOL     O4    4   0.005051   0.258654   0.094062
-    1SOL     H5    5   0.016926   0.234183   0.185836
-    1SOL     H6    6  -0.079270   0.303910   0.092009
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/233/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003930   0.013852  -0.094631
-    0SOL     H3    3   0.087167  -0.032025   0.023207
-    1SOL     O4    4   0.188807  -0.325282  -0.232194
-    1SOL     H5    5   0.104813  -0.357248  -0.265142
-    1SOL     H6    6   0.196348  -0.236691  -0.267651
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/234/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088437  -0.031751  -0.018250
-    0SOL     H3    3  -0.008181   0.095369  -0.000405
-    1SOL     O4    4   0.021950  -0.020207   0.286400
-    1SOL     H5    5   0.034024  -0.036123   0.192788
-    1SOL     H6    6   0.102458  -0.052560   0.326824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/235/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075465  -0.049916  -0.031237
-    0SOL     H3    3   0.073864  -0.034079  -0.050449
-    1SOL     O4    4  -0.023799   0.036002   0.282279
-    1SOL     H5    5  -0.006978   0.024766   0.188721
-    1SOL     H6    6  -0.036107   0.130286   0.293296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/236/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072280  -0.058601   0.022446
-    0SOL     H3    3  -0.003745   0.007291  -0.095368
-    1SOL     O4    4  -0.002310  -0.033313  -0.271072
-    1SOL     H5    5  -0.079601  -0.081798  -0.300015
-    1SOL     H6    6  -0.012659   0.053640  -0.309730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/237/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085608  -0.039180  -0.017279
-    0SOL     H3    3  -0.007954   0.089978  -0.031670
-    1SOL     O4    4  -0.217601  -0.154336  -0.085715
-    1SOL     H5    5  -0.221347  -0.166008  -0.180647
-    1SOL     H6    6  -0.309119  -0.146011  -0.058929
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/238/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012068   0.093193   0.018214
-    0SOL     H3    3   0.001102  -0.006124  -0.095518
-    1SOL     O4    4  -0.233337  -0.117512   0.053759
-    1SOL     H5    5  -0.229647  -0.104968   0.148582
-    1SOL     H6    6  -0.150153  -0.082669   0.021687
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/239/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087927   0.035197   0.013869
-    0SOL     H3    3  -0.001848  -0.024159  -0.092603
-    1SOL     O4    4   0.012617  -0.044280  -0.272338
-    1SOL     H5    5   0.089800  -0.020435  -0.323686
-    1SOL     H6    6  -0.058662   0.006434  -0.311194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/240/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077407  -0.044921  -0.033949
-    0SOL     H3    3   0.072501  -0.059613  -0.018766
-    1SOL     O4    4   0.202031  -0.142498  -0.036562
-    1SOL     H5    5   0.226349  -0.234372  -0.025161
-    1SOL     H6    6   0.284186  -0.094470  -0.026256
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/241/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083354   0.029779   0.036437
-    0SOL     H3    3   0.014156  -0.085983   0.039609
-    1SOL     O4    4  -0.029535   0.059716  -0.280010
-    1SOL     H5    5  -0.028676   0.035589  -0.187385
-    1SOL     H6    6  -0.017064  -0.023033  -0.326480
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/242/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079237  -0.038763   0.037166
-    0SOL     H3    3  -0.012374   0.081159   0.049218
-    1SOL     O4    4  -0.009125   0.246517   0.127195
-    1SOL     H5    5  -0.085436   0.272629   0.075647
-    1SOL     H6    6   0.063458   0.296244   0.089497
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/243/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087264   0.035487  -0.016969
-    0SOL     H3    3  -0.001822  -0.087619  -0.038495
-    1SOL     O4    4  -0.032598  -0.251196  -0.115739
-    1SOL     H5    5  -0.038888  -0.260093  -0.210836
-    1SOL     H6    6  -0.109353  -0.297503  -0.082174
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/244/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077628   0.041345  -0.037773
-    0SOL     H3    3  -0.011582  -0.093375  -0.017589
-    1SOL     O4    4  -0.214318   0.106298  -0.079811
-    1SOL     H5    5  -0.299279   0.085913  -0.040717
-    1SOL     H6    6  -0.189840   0.190515  -0.041460
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/245/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018618  -0.027421  -0.089799
-    0SOL     H3    3   0.081952   0.038744   0.030741
-    1SOL     O4    4   0.039158  -0.258342   0.075802
-    1SOL     H5    5   0.130485  -0.285125   0.065586
-    1SOL     H6    6   0.038364  -0.165865   0.051110
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/246/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077035   0.052714   0.021194
-    0SOL     H3    3   0.071760   0.042348   0.047112
-    1SOL     O4    4  -0.060324  -0.245943   0.065234
-    1SOL     H5    5  -0.149221  -0.279465   0.053580
-    1SOL     H6    6  -0.061674  -0.159531   0.024082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/247/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012663  -0.078838  -0.052787
-    0SOL     H3    3   0.074866   0.044043  -0.040220
-    1SOL     O4    4   0.015785  -0.006352   0.253820
-    1SOL     H5    5   0.020574   0.002406   0.158622
-    1SOL     H6    6   0.106505   0.001740   0.283258
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/248/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075573  -0.039088  -0.043854
-    0SOL     H3    3   0.074443  -0.022587  -0.055771
-    1SOL     O4    4  -0.250355  -0.123588  -0.080491
-    1SOL     H5    5  -0.329346  -0.077128  -0.052847
-    1SOL     H6    6  -0.253444  -0.121375  -0.176136
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/249/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010728   0.012239   0.094326
-    0SOL     H3    3  -0.075863   0.053774  -0.022703
-    1SOL     O4    4   0.187749   0.166589  -0.073531
-    1SOL     H5    5   0.102009   0.125568  -0.062209
-    1SOL     H6    6   0.246697   0.114406  -0.019085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/250/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087001  -0.035561   0.018130
-    0SOL     H3    3   0.004540   0.090869   0.029742
-    1SOL     O4    4   0.030595   0.256739   0.081500
-    1SOL     H5    5   0.031664   0.273439   0.175746
-    1SOL     H6    6  -0.049547   0.298951   0.050555
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070252  -0.050010   0.041545
-    0SOL     H3    3   0.078412  -0.022683   0.049994
-    1SOL     O4    4  -0.071533   0.257302   0.105970
-    1SOL     H5    5  -0.056294   0.249858   0.200175
-    1SOL     H6    6  -0.052329   0.170059   0.071585
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/252/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066526   0.061375   0.031141
-    0SOL     H3    3   0.079478   0.052749  -0.007943
-    1SOL     O4    4  -0.006270  -0.257000   0.063544
-    1SOL     H5    5  -0.081416  -0.294776   0.017845
-    1SOL     H6    6  -0.005849  -0.165012   0.037080
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/253/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013875  -0.021317  -0.092279
-    0SOL     H3    3  -0.020646  -0.083910   0.041173
-    1SOL     O4    4  -0.025253  -0.243781   0.114634
-    1SOL     H5    5  -0.000188  -0.213503   0.201911
-    1SOL     H6    6   0.056969  -0.271790   0.074417
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/254/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092914   0.022548  -0.004572
-    0SOL     H3    3  -0.043637   0.067356  -0.052166
-    1SOL     O4    4   0.042843   0.016017   0.268636
-    1SOL     H5    5   0.062070  -0.073561   0.296355
-    1SOL     H6    6   0.013587   0.007308   0.177913
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/255/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013496  -0.093005  -0.018173
-    0SOL     H3    3   0.079071   0.042632  -0.033053
-    1SOL     O4    4  -0.200290   0.139762  -0.098517
-    1SOL     H5    5  -0.278605   0.091805  -0.071513
-    1SOL     H6    6  -0.128104   0.094116  -0.055298
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/256/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013992   0.010100  -0.094152
-    0SOL     H3    3   0.073070   0.046903   0.040288
-    1SOL     O4    4  -0.015190  -0.034120  -0.273552
-    1SOL     H5    5  -0.018288  -0.122003  -0.311359
-    1SOL     H6    6   0.060661   0.007124  -0.314879
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/257/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075169  -0.038871   0.044732
-    0SOL     H3    3   0.020582  -0.008257  -0.093116
-    1SOL     O4    4   0.010477   0.004643  -0.286902
-    1SOL     H5    5  -0.050580  -0.063965  -0.313870
-    1SOL     H6    6   0.096241  -0.027076  -0.315201
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/258/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071616   0.056454  -0.029094
-    0SOL     H3    3   0.077555   0.035165  -0.043714
-    1SOL     O4    4   0.216582   0.139493  -0.103817
-    1SOL     H5    5   0.225932   0.124564  -0.197902
-    1SOL     H6    6   0.289755   0.091871  -0.064572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/259/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072868  -0.053544  -0.031395
-    0SOL     H3    3   0.012938   0.085082  -0.041905
-    1SOL     O4    4  -0.215552  -0.150094  -0.076085
-    1SOL     H5    5  -0.230822  -0.132688  -0.168962
-    1SOL     H6    6  -0.158208  -0.079000  -0.047456
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/260/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011940   0.017135  -0.093414
-    0SOL     H3    3   0.082427   0.027473   0.040167
-    1SOL     O4    4   0.008748   0.022825  -0.270108
-    1SOL     H5    5  -0.007431  -0.069811  -0.287973
-    1SOL     H6    6  -0.074389   0.065953  -0.289872
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/261/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003187   0.004481   0.095562
-    0SOL     H3    3   0.072635   0.055161  -0.029048
-    1SOL     O4    4   0.016912  -0.244609  -0.161196
-    1SOL     H5    5   0.069215  -0.315990  -0.124707
-    1SOL     H6    6   0.047648  -0.166440  -0.115293
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/262/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066993   0.055515  -0.039903
-    0SOL     H3    3  -0.012768  -0.085829  -0.040406
-    1SOL     O4    4   0.228345   0.101515  -0.122851
-    1SOL     H5    5   0.159946   0.048720  -0.081660
-    1SOL     H6    6   0.199907   0.191988  -0.109881
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/263/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006816  -0.007833   0.095155
-    0SOL     H3    3   0.002983  -0.090240  -0.031784
-    1SOL     O4    4  -0.250596   0.115258  -0.135719
-    1SOL     H5    5  -0.169108   0.079937  -0.100020
-    1SOL     H6    6  -0.254940   0.204632  -0.101723
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/264/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007448   0.019133  -0.093492
-    0SOL     H3    3   0.074717   0.044773   0.039686
-    1SOL     O4    4   0.231842   0.099440   0.084011
-    1SOL     H5    5   0.214209   0.066138   0.172002
-    1SOL     H6    6   0.316637   0.061697   0.060612
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/265/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013006   0.008865  -0.094417
-    0SOL     H3    3   0.077018   0.041500   0.038836
-    1SOL     O4    4   0.223010   0.160388   0.053391
-    1SOL     H5    5   0.247293   0.160480   0.145980
-    1SOL     H6    6   0.292520   0.110565   0.010400
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/266/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075876  -0.040183  -0.042315
-    0SOL     H3    3   0.010377   0.093775  -0.016154
-    1SOL     O4    4  -0.002511   0.269495  -0.062340
-    1SOL     H5    5  -0.082259   0.317062  -0.039100
-    1SOL     H6    6   0.068122   0.332365  -0.047488
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/267/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006916  -0.019194  -0.093521
-    0SOL     H3    3  -0.078424  -0.039203   0.038408
-    1SOL     O4    4   0.013085  -0.006667  -0.289814
-    1SOL     H5    5   0.021453   0.085468  -0.314379
-    1SOL     H6    6   0.089646  -0.048929  -0.328733
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/268/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000331  -0.088746  -0.035867
-    0SOL     H3    3   0.075588   0.042533  -0.040494
-    1SOL     O4    4  -0.026381   0.003153   0.286809
-    1SOL     H5    5  -0.000248  -0.001016   0.194819
-    1SOL     H6    6   0.031442   0.069057   0.325221
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/269/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068396   0.054237   0.039277
-    0SOL     H3    3   0.081578   0.045697   0.020471
-    1SOL     O4    4   0.210497   0.133415   0.099765
-    1SOL     H5    5   0.291412   0.097114   0.063747
-    1SOL     H6    6   0.213916   0.226439   0.077469
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/270/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017092   0.004020  -0.094096
-    0SOL     H3    3  -0.077096   0.040101   0.040130
-    1SOL     O4    4  -0.218209   0.098179   0.090481
-    1SOL     H5    5  -0.226452   0.117721   0.183821
-    1SOL     H6    6  -0.235931   0.181517   0.046857
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/271/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015999  -0.018114   0.092619
-    0SOL     H3    3  -0.013061  -0.086246  -0.039413
-    1SOL     O4    4   0.020840  -0.259631  -0.146124
-    1SOL     H5    5  -0.045194  -0.301856  -0.091179
-    1SOL     H6    6   0.103527  -0.299767  -0.119400
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/272/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017350  -0.089663  -0.028666
-    0SOL     H3    3  -0.089040   0.018030  -0.030151
-    1SOL     O4    4  -0.022958  -0.023263   0.275537
-    1SOL     H5    5  -0.033889  -0.019957   0.180501
-    1SOL     H6    6   0.060682   0.020422   0.291608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/273/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090277   0.027327   0.016298
-    0SOL     H3    3   0.001677  -0.092704   0.023779
-    1SOL     O4    4  -0.010979  -0.252755   0.075365
-    1SOL     H5    5  -0.083215  -0.307167   0.044003
-    1SOL     H6    6   0.067126  -0.291402   0.035763
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/274/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080739   0.035243   0.037435
-    0SOL     H3    3   0.001837  -0.091334   0.028583
-    1SOL     O4    4   0.222746   0.173888   0.087177
-    1SOL     H5    5   0.167448   0.100967   0.059125
-    1SOL     H6    6   0.198236   0.246189   0.029434
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/275/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078436  -0.037532  -0.040018
-    0SOL     H3    3  -0.001344   0.092032  -0.026278
-    1SOL     O4    4   0.042236   0.028482   0.251838
-    1SOL     H5    5   0.029970   0.009332   0.158859
-    1SOL     H6    6   0.109956  -0.032909   0.280255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/276/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073981  -0.051543   0.032133
-    0SOL     H3    3   0.077153  -0.051625   0.023336
-    1SOL     O4    4   0.005768  -0.006024   0.435119
-    1SOL     H5    5   0.077877  -0.059412   0.401767
-    1SOL     H6    6   0.014697  -0.010410   0.530320
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/277/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.086568  -0.022217   0.034273
-    0SOL     H3    3   0.020247   0.084953   0.039184
-    1SOL     O4    4  -0.240192  -0.104161   0.071440
-    1SOL     H5    5  -0.261679  -0.091452   0.163847
-    1SOL     H6    6  -0.312303  -0.062667   0.024106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/278/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072714   0.044499   0.043530
-    0SOL     H3    3   0.003944  -0.086036   0.041768
-    1SOL     O4    4  -0.211696   0.329148   0.072664
-    1SOL     H5    5  -0.292680   0.375778   0.093389
-    1SOL     H6    6  -0.142556   0.382616   0.111691
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/279/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044452   0.012948   0.083777
-    0SOL     H3    3  -0.008678   0.088090  -0.036430
-    1SOL     O4    4  -0.193734  -0.099367   0.315722
-    1SOL     H5    5  -0.224359  -0.085129   0.405286
-    1SOL     H6    6  -0.267284  -0.072523   0.260657
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/280/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.067210  -0.045920  -0.050364
-    0SOL     H3    3   0.074800  -0.059726   0.000247
-    1SOL     O4    4  -0.057999   0.015286   0.296126
-    1SOL     H5    5  -0.133526  -0.042734   0.305701
-    1SOL     H6    6  -0.039690   0.015539   0.202174
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/281/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016479   0.006909   0.094037
-    0SOL     H3    3   0.080626   0.049671  -0.013949
-    1SOL     O4    4   0.232934   0.134815  -0.096412
-    1SOL     H5    5   0.311766   0.092305  -0.062636
-    1SOL     H6    6   0.244505   0.227374  -0.074936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/282/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078321   0.049518  -0.024002
-    0SOL     H3    3   0.072896   0.056639  -0.025308
-    1SOL     O4    4  -0.214526   0.165292  -0.070796
-    1SOL     H5    5  -0.213044   0.152977  -0.165709
-    1SOL     H6    6  -0.294876   0.121831  -0.042208
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/283/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.027740  -0.086605   0.029872
-    0SOL     H3    3   0.010440  -0.002935  -0.095104
-    1SOL     O4    4  -0.211236   0.156431   0.081186
-    1SOL     H5    5  -0.291904   0.113466   0.052744
-    1SOL     H6    6  -0.142290   0.092637   0.062772
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/284/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011067   0.004888   0.094952
-    0SOL     H3    3  -0.011783  -0.092688  -0.020794
-    1SOL     O4    4  -0.064098  -0.023953   0.291423
-    1SOL     H5    5  -0.142663   0.018341   0.326080
-    1SOL     H6    6   0.008338   0.029094   0.324611
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/285/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011475   0.014679   0.093889
-    0SOL     H3    3   0.076966  -0.056569  -0.006215
-    1SOL     O4    4   0.057322   0.030288   0.276083
-    1SOL     H5    5   0.127601  -0.022934   0.313372
-    1SOL     H6    6   0.066319   0.115384   0.318977
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/286/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000317   0.094710   0.013862
-    0SOL     H3    3   0.092470  -0.024469   0.003586
-    1SOL     O4    4  -0.205266  -0.148669   0.121480
-    1SOL     H5    5  -0.132226  -0.092128   0.096370
-    1SOL     H6    6  -0.281905  -0.108448   0.080602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/287/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003643  -0.001726   0.095635
-    0SOL     H3    3   0.076747   0.053544  -0.020130
-    1SOL     O4    4   0.011600  -0.001174   0.274797
-    1SOL     H5    5  -0.058586   0.055795   0.306273
-    1SOL     H6    6   0.090369   0.031544   0.318241
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072383  -0.036900  -0.050610
-    0SOL     H3    3   0.078734  -0.029033  -0.046048
-    1SOL     O4    4   0.233291  -0.088793  -0.110409
-    1SOL     H5    5   0.244342  -0.109324  -0.203246
-    1SOL     H6    6   0.318191  -0.053888  -0.083278
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083324  -0.032247  -0.034345
-    0SOL     H3    3   0.006440   0.089652  -0.032915
-    1SOL     O4    4   0.041221   0.010164   0.304253
-    1SOL     H5    5   0.019727  -0.015197   0.214491
-    1SOL     H6    6   0.031654   0.105400   0.305226
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/290/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081008  -0.050179   0.009060
-    0SOL     H3    3  -0.027572   0.091441   0.006367
-    1SOL     O4    4  -0.213180  -0.141648   0.053410
-    1SOL     H5    5  -0.221922  -0.232240   0.023762
-    1SOL     H6    6  -0.186405  -0.148857   0.145025
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/291/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070083   0.054211   0.036220
-    0SOL     H3    3   0.080599   0.045441   0.024521
-    1SOL     O4    4   0.251498   0.136523   0.064343
-    1SOL     H5    5   0.342377   0.106866   0.059465
-    1SOL     H6    6   0.254784   0.228423   0.037775
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/292/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070405   0.053572   0.036545
-    0SOL     H3    3   0.079654   0.033996   0.040765
-    1SOL     O4    4   0.228250   0.115058   0.086680
-    1SOL     H5    5   0.306754   0.079742   0.044820
-    1SOL     H6    6   0.236456   0.209924   0.076913
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/293/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010990  -0.000765  -0.095084
-    0SOL     H3    3   0.003758   0.092625   0.023848
-    1SOL     O4    4   0.227021  -0.130826   0.056989
-    1SOL     H5    5   0.151251  -0.074244   0.042166
-    1SOL     H6    6   0.301114  -0.081387   0.021941
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/294/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012046  -0.019440  -0.092948
-    0SOL     H3    3   0.085231   0.032555   0.028952
-    1SOL     O4    4   0.231278   0.104763   0.081363
-    1SOL     H5    5   0.295407   0.059166   0.026859
-    1SOL     H6    6   0.250913   0.076130   0.170565
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/295/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.033615  -0.003086   0.089570
-    0SOL     H3    3   0.063231   0.053908  -0.047519
-    1SOL     O4    4  -0.236829   0.120943  -0.088366
-    1SOL     H5    5  -0.240771   0.210002  -0.053505
-    1SOL     H6    6  -0.161131   0.081533  -0.045019
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/296/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084954   0.015117   0.041433
-    0SOL     H3    3   0.019447  -0.004687  -0.093606
-    1SOL     O4    4  -0.073700   0.010006  -0.269811
-    1SOL     H5    5  -0.150912   0.064900  -0.283498
-    1SOL     H6    6  -0.001077   0.061563  -0.304885
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/297/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071726  -0.054560   0.032263
-    0SOL     H3    3   0.078733  -0.038851   0.038132
-    1SOL     O4    4  -0.027507   0.286575   0.042345
-    1SOL     H5    5  -0.107175   0.311792  -0.004339
-    1SOL     H6    6  -0.022863   0.191500   0.032272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/298/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083795   0.038013  -0.026378
-    0SOL     H3    3   0.065739   0.059770  -0.035613
-    1SOL     O4    4  -0.075819   0.021529   0.265708
-    1SOL     H5    5  -0.046595   0.021471   0.174558
-    1SOL     H6    6  -0.082873  -0.071119   0.288708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/299/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085123  -0.030551  -0.031355
-    0SOL     H3    3   0.005471   0.090734  -0.029995
-    1SOL     O4    4  -0.235156  -0.117519  -0.067591
-    1SOL     H5    5  -0.227315  -0.102071  -0.161730
-    1SOL     H6    6  -0.305490  -0.059010  -0.039446
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/300/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000439   0.033640   0.089613
-    0SOL     H3    3   0.077084   0.039429  -0.040813
-    1SOL     O4    4  -0.208045   0.112077  -0.125646
-    1SOL     H5    5  -0.189474   0.129156  -0.217981
-    1SOL     H6    6  -0.135651   0.056675  -0.096455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/301/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079010  -0.041758   0.034293
-    0SOL     H3    3  -0.008474   0.091900   0.025396
-    1SOL     O4    4   0.222747  -0.136420   0.111332
-    1SOL     H5    5   0.141159  -0.088207   0.097871
-    1SOL     H6    6   0.215009  -0.213035   0.054476
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/302/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088562   0.017314   0.031928
-    0SOL     H3    3   0.010963  -0.094588   0.009755
-    1SOL     O4    4   0.223754   0.123387   0.047548
-    1SOL     H5    5   0.145010   0.073392   0.026054
-    1SOL     H6    6   0.292822   0.083210  -0.005157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/303/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001019   0.010727   0.095112
-    0SOL     H3    3   0.079950   0.043320  -0.029895
-    1SOL     O4    4   0.239937   0.113546  -0.079807
-    1SOL     H5    5   0.237552   0.108914  -0.175385
-    1SOL     H6    6   0.304249   0.047445  -0.054174
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/304/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068420   0.057953  -0.033503
-    0SOL     H3    3  -0.081654   0.047019  -0.016856
-    1SOL     O4    4  -0.022462  -0.266861  -0.077124
-    1SOL     H5    5   0.060354  -0.308053  -0.052488
-    1SOL     H6    6  -0.016249  -0.177861  -0.042445
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/305/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083537   0.039070   0.025642
-    0SOL     H3    3  -0.009428  -0.092866   0.021198
-    1SOL     O4    4   0.230229   0.148473   0.078818
-    1SOL     H5    5   0.145002   0.110182   0.058022
-    1SOL     H6    6   0.293113   0.094536   0.030873
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/306/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004149  -0.094120  -0.016928
-    0SOL     H3    3   0.065463   0.032626  -0.061746
-    1SOL     O4    4  -0.038382  -0.251793  -0.080162
-    1SOL     H5    5  -0.046886  -0.245900  -0.175321
-    1SOL     H6    6  -0.125913  -0.275698  -0.049680
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/307/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067932  -0.054383   0.039875
-    0SOL     H3    3   0.032095   0.089628   0.009952
-    1SOL     O4    4   0.202053  -0.157631   0.113402
-    1SOL     H5    5   0.198374  -0.118097   0.200499
-    1SOL     H6    6   0.270058  -0.108315   0.067515
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/308/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016689   0.018060  -0.092507
-    0SOL     H3    3  -0.067533   0.049265   0.046633
-    1SOL     O4    4   0.239010   0.112491   0.079668
-    1SOL     H5    5   0.160423   0.072367   0.042567
-    1SOL     H6    6   0.309038   0.088810   0.018860
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/309/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006869  -0.010316  -0.094914
-    0SOL     H3    3   0.018202   0.092696   0.015445
-    1SOL     O4    4  -0.197914  -0.145459   0.106986
-    1SOL     H5    5  -0.189015  -0.131922   0.201325
-    1SOL     H6    6  -0.122059  -0.101035   0.069106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/310/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002918  -0.077540  -0.056048
-    0SOL     H3    3   0.075282   0.052334  -0.027497
-    1SOL     O4    4  -0.442993  -0.016290  -0.019322
-    1SOL     H5    5  -0.509258   0.026324  -0.073684
-    1SOL     H6    6  -0.434344  -0.104096  -0.056439
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/311/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025006   0.000644  -0.092394
-    0SOL     H3    3   0.024463  -0.090851   0.017608
-    1SOL     O4    4   0.025375  -0.246636   0.087499
-    1SOL     H5    5  -0.003964  -0.218677   0.174217
-    1SOL     H6    6   0.112646  -0.283071   0.102282
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/312/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009234   0.009099   0.094838
-    0SOL     H3    3   0.080654   0.037237  -0.035647
-    1SOL     O4    4   0.259806   0.121511  -0.077191
-    1SOL     H5    5   0.222167   0.113330  -0.164819
-    1SOL     H6    6   0.222253   0.202390  -0.042396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/313/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010157   0.020226  -0.093006
-    0SOL     H3    3  -0.081956  -0.049195   0.005050
-    1SOL     O4    4   0.003467   0.049418  -0.286521
-    1SOL     H5    5   0.076535  -0.011670  -0.296095
-    1SOL     H6    6   0.037900   0.133099  -0.317732
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/314/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001548   0.094121  -0.017352
-    0SOL     H3    3   0.069867  -0.035668  -0.054851
-    1SOL     O4    4   0.234348  -0.124356  -0.093416
-    1SOL     H5    5   0.230836  -0.208724  -0.048338
-    1SOL     H6    6   0.300963  -0.074575  -0.046018
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/315/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073580  -0.048193  -0.037759
-    0SOL     H3    3  -0.002568   0.085400  -0.043157
-    1SOL     O4    4  -0.254558  -0.124984  -0.062287
-    1SOL     H5    5  -0.258142  -0.124997  -0.157940
-    1SOL     H6    6  -0.273671  -0.215453  -0.037543
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/316/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002152   0.011457  -0.095007
-    0SOL     H3    3  -0.026743   0.085437   0.033876
-    1SOL     O4    4   0.216130  -0.121168   0.141117
-    1SOL     H5    5   0.145261  -0.081803   0.090222
-    1SOL     H6    6   0.295828  -0.097141   0.093861
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/317/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003733   0.008105   0.095303
-    0SOL     H3    3   0.081592  -0.047110  -0.016901
-    1SOL     O4    4   0.250212  -0.106653  -0.050609
-    1SOL     H5    5   0.261433  -0.101564  -0.145533
-    1SOL     H6    6   0.276016  -0.196052  -0.028152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/318/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008918  -0.025133  -0.091930
-    0SOL     H3    3  -0.069261  -0.048425   0.044947
-    1SOL     O4    4   0.228761  -0.150907   0.051046
-    1SOL     H5    5   0.157284  -0.087921   0.041765
-    1SOL     H6    6   0.302707  -0.110102   0.005998
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.051417  -0.064228  -0.048923
-    0SOL     H3    3  -0.012297   0.082016  -0.047796
-    1SOL     O4    4   0.009695   0.240586  -0.122874
-    1SOL     H5    5  -0.052984   0.295603  -0.075898
-    1SOL     H6    6   0.095428   0.271694  -0.093814
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070138  -0.049369  -0.042493
-    0SOL     H3    3  -0.010382   0.089380  -0.032645
-    1SOL     O4    4  -0.032260   0.031352   0.269519
-    1SOL     H5    5  -0.015655   0.054292   0.178084
-    1SOL     H6    6   0.034579  -0.033904   0.290409
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077671  -0.046325  -0.031360
-    0SOL     H3    3  -0.011312   0.089746  -0.031304
-    1SOL     O4    4  -0.209939  -0.159799  -0.094127
-    1SOL     H5    5  -0.203057  -0.130154  -0.184881
-    1SOL     H6    6  -0.190826  -0.253512  -0.097977
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/322/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000148  -0.024572  -0.092512
-    0SOL     H3    3  -0.012578  -0.082578   0.046744
-    1SOL     O4    4  -0.249552   0.113087   0.071874
-    1SOL     H5    5  -0.319736   0.070300   0.022827
-    1SOL     H6    6  -0.168954   0.080292   0.031988
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/323/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.044632  -0.018769  -0.082571
-    0SOL     H3    3   0.072322  -0.062634   0.002966
-    1SOL     O4    4  -0.086407  -0.060113  -0.233574
-    1SOL     H5    5  -0.158669  -0.115813  -0.262524
-    1SOL     H6    6  -0.007538  -0.107177  -0.260538
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008235  -0.002058   0.095343
-    0SOL     H3    3  -0.064696   0.064627  -0.028286
-    1SOL     O4    4  -0.015746  -0.248941  -0.094830
-    1SOL     H5    5  -0.098806  -0.287901  -0.067528
-    1SOL     H6    6  -0.022591  -0.157101  -0.068735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/325/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002699   0.004262   0.095587
-    0SOL     H3    3  -0.086483  -0.032509  -0.025024
-    1SOL     O4    4   0.190974  -0.142601  -0.166229
-    1SOL     H5    5   0.117454  -0.112409  -0.112885
-    1SOL     H6    6   0.266797  -0.095771  -0.131297
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/326/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080612  -0.037617  -0.035340
-    0SOL     H3    3  -0.070017  -0.052323  -0.039016
-    1SOL     O4    4   0.029682   0.247631  -0.058123
-    1SOL     H5    5   0.109746   0.276563  -0.014363
-    1SOL     H6    6   0.027719   0.152919  -0.044408
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/327/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015317   0.008476   0.094106
-    0SOL     H3    3   0.000874  -0.094360  -0.016054
-    1SOL     O4    4  -0.207600   0.144126  -0.114457
-    1SOL     H5    5  -0.121210   0.111086  -0.089810
-    1SOL     H6    6  -0.214587   0.228582  -0.069952
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/328/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009458  -0.091438  -0.026684
-    0SOL     H3    3   0.085047   0.039516  -0.019177
-    1SOL     O4    4  -0.245910   0.147678  -0.081219
-    1SOL     H5    5  -0.258425   0.149279  -0.176104
-    1SOL     H6    6  -0.162670   0.102090  -0.068757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/329/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083247   0.045488   0.012771
-    0SOL     H3    3   0.066535   0.067488   0.013446
-    1SOL     O4    4  -0.013272  -0.036000  -0.274683
-    1SOL     H5    5  -0.003504  -0.000082  -0.186497
-    1SOL     H6    6  -0.070062   0.026417  -0.319865
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/330/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074879  -0.049266  -0.033589
-    0SOL     H3    3   0.017045   0.090450  -0.026278
-    1SOL     O4    4  -0.225128  -0.106607  -0.057841
-    1SOL     H5    5  -0.301706  -0.049820  -0.049270
-    1SOL     H6    6  -0.151693  -0.052374  -0.029060
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/331/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073747  -0.048766  -0.036683
-    0SOL     H3    3  -0.003236   0.085007  -0.043882
-    1SOL     O4    4   0.002636  -0.057895   0.265703
-    1SOL     H5    5  -0.024413  -0.041044   0.175444
-    1SOL     H6    6  -0.077192  -0.087279   0.309592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/332/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007449  -0.089822   0.032231
-    0SOL     H3    3   0.085823   0.029410   0.030525
-    1SOL     O4    4   0.245524   0.111688  -0.011804
-    1SOL     H5    5   0.338091   0.088531  -0.019377
-    1SOL     H6    6   0.235313   0.188464  -0.068049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/333/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.089347  -0.027769   0.020206
-    0SOL     H3    3   0.004259   0.095619  -0.001110
-    1SOL     O4    4   0.026329  -0.011326  -0.271109
-    1SOL     H5    5   0.005898  -0.014536  -0.177650
-    1SOL     H6    6  -0.052236  -0.045207  -0.314027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/334/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.026566   0.031466  -0.086408
-    0SOL     H3    3  -0.079746  -0.037382   0.037490
-    1SOL     O4    4   0.173146  -0.122448   0.315890
-    1SOL     H5    5   0.212469  -0.182009   0.379674
-    1SOL     H6    6   0.184576  -0.166508   0.231686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/335/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001997  -0.001014  -0.095694
-    0SOL     H3    3   0.019859   0.090651   0.023459
-    1SOL     O4    4   0.156346  -0.157418   0.372312
-    1SOL     H5    5   0.159241  -0.166352   0.277054
-    1SOL     H6    6   0.081502  -0.100062   0.388773
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/336/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083538  -0.043700   0.016553
-    0SOL     H3    3   0.004498   0.007873  -0.095290
-    1SOL     O4    4  -0.012023   0.266943   0.094401
-    1SOL     H5    5  -0.095285   0.304111   0.065276
-    1SOL     H6    6  -0.009777   0.179576   0.055358
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/337/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.066692  -0.055041  -0.041050
-    0SOL     H3    3   0.018316   0.088156  -0.032485
-    1SOL     O4    4  -0.237044  -0.094129  -0.117628
-    1SOL     H5    5  -0.251169  -0.180859  -0.079670
-    1SOL     H6    6  -0.155906  -0.063222  -0.077333
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/338/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003344   0.048450   0.082485
-    0SOL     H3    3  -0.081444   0.028616  -0.041356
-    1SOL     O4    4  -0.235578   0.289047  -0.033263
-    1SOL     H5    5  -0.245250   0.208416  -0.083934
-    1SOL     H6    6  -0.297639   0.350042  -0.073142
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/339/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066933  -0.038492   0.056574
-    0SOL     H3    3   0.004291   0.091761   0.026904
-    1SOL     O4    4   0.258715  -0.093083   0.069808
-    1SOL     H5    5   0.279799  -0.095327   0.163150
-    1SOL     H6    6   0.170637  -0.055800   0.065990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/340/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070535   0.037905  -0.052445
-    0SOL     H3    3   0.022521  -0.081292  -0.045241
-    1SOL     O4    4  -0.013965  -0.047437   0.276620
-    1SOL     H5    5   0.003198  -0.037351   0.182992
-    1SOL     H6    6  -0.011416  -0.141969   0.291438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/341/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.028752  -0.087574   0.025814
-    0SOL     H3    3   0.079522   0.053199   0.002916
-    1SOL     O4    4   0.003789  -0.265149   0.073917
-    1SOL     H5    5   0.005876  -0.248400   0.168137
-    1SOL     H6    6   0.092405  -0.294531   0.052797
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/342/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012593   0.025361  -0.091436
-    0SOL     H3    3  -0.015342   0.080448   0.049549
-    1SOL     O4    4   0.231366  -0.101003   0.078977
-    1SOL     H5    5   0.205841  -0.100035   0.171226
-    1SOL     H6    6   0.153168  -0.071797   0.032132
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/343/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004223  -0.028826   0.091179
-    0SOL     H3    3  -0.083544   0.046236  -0.006707
-    1SOL     O4    4   0.019270  -0.070820   0.279431
-    1SOL     H5    5  -0.055097  -0.018091   0.308612
-    1SOL     H6    6   0.094382  -0.034355   0.326238
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/344/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030839  -0.007315  -0.090320
-    0SOL     H3    3  -0.007136  -0.090508   0.030327
-    1SOL     O4    4  -0.021269  -0.025279  -0.277287
-    1SOL     H5    5  -0.003868  -0.119358  -0.280245
-    1SOL     H6    6   0.056254   0.014716  -0.316693
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/345/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080044  -0.029965   0.043098
-    0SOL     H3    3  -0.020609   0.083119   0.042765
-    1SOL     O4    4   0.195352  -0.144016   0.091597
-    1SOL     H5    5   0.177947  -0.238138   0.092229
-    1SOL     H6    6   0.280505  -0.135645   0.048687
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/346/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075213  -0.056166   0.018728
-    0SOL     H3    3   0.074475  -0.045864   0.038889
-    1SOL     O4    4   0.249079  -0.067781   0.081174
-    1SOL     H5    5   0.269803  -0.059146   0.174224
-    1SOL     H6    6   0.234634  -0.161539   0.068405
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/347/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008083   0.089413  -0.033201
-    0SOL     H3    3  -0.012613   0.010467   0.094306
-    1SOL     O4    4   0.009162   0.264056  -0.107251
-    1SOL     H5    5  -0.059949   0.319986  -0.071787
-    1SOL     H6    6   0.090600   0.306781  -0.080703
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/348/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015924   0.043570  -0.083728
-    0SOL     H3    3  -0.081716   0.038347   0.031849
-    1SOL     O4    4   0.242578   0.127666   0.098658
-    1SOL     H5    5   0.262081   0.104970   0.189580
-    1SOL     H6    6   0.176727   0.063703   0.071552
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/349/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075828  -0.042579  -0.039993
-    0SOL     H3    3  -0.004335   0.085828  -0.042156
-    1SOL     O4    4   0.222021  -0.180753  -0.066121
-    1SOL     H5    5   0.216111  -0.160549  -0.159498
-    1SOL     H6    6   0.307499  -0.146813  -0.039587
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/350/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009350   0.094319  -0.013371
-    0SOL     H3    3  -0.003357  -0.010543   0.095078
-    1SOL     O4    4   0.013589   0.035453   0.282850
-    1SOL     H5    5   0.019054   0.129792   0.298100
-    1SOL     H6    6   0.092161  -0.000155   0.324335
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/351/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069957  -0.047356  -0.045008
-    0SOL     H3    3   0.016903   0.076200  -0.055409
-    1SOL     O4    4   0.010899   0.241690  -0.134624
-    1SOL     H5    5   0.004649   0.245667  -0.230057
-    1SOL     H6    6  -0.065156   0.290791  -0.103527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/352/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024831  -0.001387   0.092433
-    0SOL     H3    3  -0.074777   0.040059  -0.044339
-    1SOL     O4    4  -0.080710  -0.016431   0.258251
-    1SOL     H5    5  -0.169855   0.013664   0.275848
-    1SOL     H6    6  -0.068548  -0.091057   0.316948
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/353/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003752   0.024108   0.092558
-    0SOL     H3    3  -0.082948   0.036398  -0.030936
-    1SOL     O4    4  -0.050916  -0.012236   0.281538
-    1SOL     H5    5  -0.047077  -0.105391   0.303210
-    1SOL     H6    6   0.018623   0.027486   0.333967
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/354/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069079  -0.045482  -0.048185
-    0SOL     H3    3   0.003507   0.090041  -0.032289
-    1SOL     O4    4   0.006875   0.260874  -0.056162
-    1SOL     H5    5   0.007892   0.265771  -0.151751
-    1SOL     H6    6   0.068022   0.328918  -0.027994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/355/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001403  -0.018231  -0.093957
-    0SOL     H3    3  -0.064379  -0.060332   0.037117
-    1SOL     O4    4  -0.017087   0.262485   0.115136
-    1SOL     H5    5  -0.102577   0.282671   0.077106
-    1SOL     H6    6   0.005541   0.176722   0.079152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/356/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005256  -0.013892   0.094561
-    0SOL     H3    3   0.000930  -0.088192  -0.037197
-    1SOL     O4    4   0.253369   0.108231  -0.078207
-    1SOL     H5    5   0.232795   0.198979  -0.055760
-    1SOL     H6    6   0.182059   0.057243  -0.039770
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/357/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018880  -0.093464  -0.008389
-    0SOL     H3    3   0.033212   0.009860   0.089230
-    1SOL     O4    4  -0.206032   0.142330  -0.077441
-    1SOL     H5    5  -0.136507   0.092431  -0.034562
-    1SOL     H6    6  -0.187501   0.133819  -0.170964
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/358/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011938   0.013282  -0.094039
-    0SOL     H3    3   0.020429   0.084983   0.039024
-    1SOL     O4    4  -0.212497  -0.157405   0.081569
-    1SOL     H5    5  -0.282329  -0.094656   0.062906
-    1SOL     H6    6  -0.132191  -0.112487   0.055193
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/359/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.085995   0.033078   0.025941
-    0SOL     H3    3  -0.062151   0.052960   0.049948
-    1SOL     O4    4   0.023738  -0.283843   0.057051
-    1SOL     H5    5  -0.042505  -0.337666   0.013724
-    1SOL     H6    6  -0.006597  -0.193899   0.044717
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/360/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078036  -0.034027   0.043760
-    0SOL     H3    3   0.020040  -0.006603  -0.093365
-    1SOL     O4    4   0.194476  -0.140765   0.130423
-    1SOL     H5    5   0.188410  -0.148213   0.225659
-    1SOL     H6    6   0.286048  -0.118322   0.113891
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006519  -0.004437  -0.095395
-    0SOL     H3    3   0.006995   0.093298   0.020220
-    1SOL     O4    4   0.202703  -0.117267   0.130916
-    1SOL     H5    5   0.129088  -0.068762   0.093628
-    1SOL     H6    6   0.202802  -0.200634   0.083881
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/362/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072623   0.030722   0.054263
-    0SOL     H3    3   0.063208   0.071865   0.001573
-    1SOL     O4    4  -0.028116   0.049748  -0.277641
-    1SOL     H5    5  -0.024548   0.031483  -0.183747
-    1SOL     H6    6  -0.022100  -0.036328  -0.319078
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/363/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068614   0.058007   0.033009
-    0SOL     H3    3   0.081140   0.035988   0.035826
-    1SOL     O4    4   0.245632   0.113876   0.120571
-    1SOL     H5    5   0.299321   0.055917   0.066528
-    1SOL     H6    6   0.256099   0.200304   0.080785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/364/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071927  -0.051858  -0.036049
-    0SOL     H3    3  -0.020984   0.090208  -0.024177
-    1SOL     O4    4  -0.074285  -0.039928   0.298595
-    1SOL     H5    5  -0.053586  -0.033660   0.205350
-    1SOL     H6    6  -0.003275  -0.092470   0.335463
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/365/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013794  -0.020577  -0.092459
-    0SOL     H3    3   0.066289  -0.051353   0.046164
-    1SOL     O4    4  -0.064265   0.270814   0.056773
-    1SOL     H5    5  -0.097482   0.265968   0.146414
-    1SOL     H6    6  -0.045969   0.179913   0.033012
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/366/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067206   0.050508  -0.045767
-    0SOL     H3    3  -0.078338   0.054834  -0.004326
-    1SOL     O4    4   0.022299   0.083596   0.284089
-    1SOL     H5    5   0.039481   0.064489   0.191883
-    1SOL     H6    6   0.107887   0.106755   0.320152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/367/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075149  -0.057887  -0.012806
-    0SOL     H3    3  -0.032114   0.086788  -0.024470
-    1SOL     O4    4  -0.235727  -0.151503  -0.042184
-    1SOL     H5    5  -0.216766  -0.153660  -0.135982
-    1SOL     H6    6  -0.227694  -0.242618  -0.013974
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/368/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087397   0.037237   0.011726
-    0SOL     H3    3  -0.014537  -0.094521  -0.004092
-    1SOL     O4    4  -0.224162   0.131184   0.044981
-    1SOL     H5    5  -0.255052   0.155409   0.132281
-    1SOL     H6    6  -0.212279   0.214677  -0.000296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/369/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005774  -0.012345   0.094745
-    0SOL     H3    3  -0.073982  -0.049494  -0.035203
-    1SOL     O4    4  -0.189613  -0.145946  -0.116081
-    1SOL     H5    5  -0.210469  -0.153592  -0.209188
-    1SOL     H6    6  -0.192946  -0.235809  -0.083282
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/370/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003211  -0.005295   0.095520
-    0SOL     H3    3  -0.078278   0.049621  -0.023930
-    1SOL     O4    4   0.232162   0.124551  -0.092002
-    1SOL     H5    5   0.153610   0.074414  -0.070133
-    1SOL     H6    6   0.215841   0.211687  -0.055901
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/371/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081940  -0.034513  -0.035454
-    0SOL     H3    3  -0.002185   0.091188  -0.029023
-    1SOL     O4    4   0.216353  -0.138559  -0.147016
-    1SOL     H5    5   0.300588  -0.114922  -0.108181
-    1SOL     H6    6   0.207846  -0.232469  -0.130558
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/372/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.054790  -0.015008  -0.077040
-    0SOL     H3    3   0.083552  -0.041447  -0.021529
-    1SOL     O4    4  -0.023045  -0.029299  -0.284047
-    1SOL     H5    5  -0.080892   0.027873  -0.334520
-    1SOL     H6    6  -0.023876  -0.112341  -0.331646
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/373/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002850   0.094914   0.012066
-    0SOL     H3    3  -0.075774  -0.032647   0.048527
-    1SOL     O4    4  -0.019625   0.271029   0.064291
-    1SOL     H5    5   0.070596   0.302961   0.062616
-    1SOL     H6    6  -0.028837   0.229620   0.150097
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/374/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004510   0.032574   0.089894
-    0SOL     H3    3  -0.085253  -0.040844  -0.015031
-    1SOL     O4    4   0.007805   0.045414  -0.390552
-    1SOL     H5    5  -0.005838   0.136077  -0.363050
-    1SOL     H6    6  -0.077704   0.003848  -0.379469
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/375/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005896   0.006397  -0.095324
-    0SOL     H3    3  -0.005193  -0.093845   0.018122
-    1SOL     O4    4   0.233035   0.116853   0.076023
-    1SOL     H5    5   0.149453   0.077831   0.050455
-    1SOL     H6    6   0.226912   0.207858   0.046990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/376/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019230  -0.086558   0.036058
-    0SOL     H3    3   0.006937  -0.011405  -0.094785
-    1SOL     O4    4  -0.026524   0.022453  -0.278369
-    1SOL     H5    5  -0.093383   0.060942  -0.335034
-    1SOL     H6    6  -0.019693  -0.068431  -0.307622
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/377/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051319   0.071013  -0.038546
-    0SOL     H3    3  -0.088162   0.012253  -0.035208
-    1SOL     O4    4   0.041385  -0.287703  -0.114320
-    1SOL     H5    5   0.044096  -0.204214  -0.067580
-    1SOL     H6    6  -0.034369  -0.333292  -0.077642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/378/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081811   0.041133  -0.027880
-    0SOL     H3    3  -0.013392  -0.093400  -0.016105
-    1SOL     O4    4   0.256437   0.117133  -0.037315
-    1SOL     H5    5   0.273908   0.132137  -0.130223
-    1SOL     H6    6   0.177343   0.063233  -0.036167
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/379/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004679   0.004465  -0.095501
-    0SOL     H3    3   0.070672  -0.062088   0.017689
-    1SOL     O4    4   0.158125  -0.180682   0.334081
-    1SOL     H5    5   0.166643  -0.163842   0.240240
-    1SOL     H6    6   0.173566  -0.274718   0.343086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/380/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.019475  -0.090613  -0.023922
-    0SOL     H3    3  -0.084136   0.045169  -0.006570
-    1SOL     O4    4  -0.225672   0.124887  -0.081112
-    1SOL     H5    5  -0.197284   0.110530  -0.171391
-    1SOL     H6    6  -0.217632   0.219386  -0.068166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/381/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084427  -0.029683  -0.033960
-    0SOL     H3    3  -0.063751  -0.060437  -0.038021
-    1SOL     O4    4  -0.016600  -0.010228   0.305602
-    1SOL     H5    5   0.075994   0.002873   0.326023
-    1SOL     H6    6  -0.020591  -0.008317   0.209984
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/382/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004809   0.009165   0.095159
-    0SOL     H3    3   0.068967   0.057499  -0.033163
-    1SOL     O4    4   0.233131   0.142985  -0.073107
-    1SOL     H5    5   0.234297   0.149093  -0.168625
-    1SOL     H6    6   0.223603   0.233474  -0.043387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/383/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.023681  -0.033187   0.086603
-    0SOL     H3    3   0.082188   0.032917  -0.036385
-    1SOL     O4    4  -0.201666   0.077490  -0.162421
-    1SOL     H5    5  -0.184512   0.075955  -0.256579
-    1SOL     H6    6  -0.117097   0.057490  -0.122291
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/384/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078746  -0.027686  -0.046849
-    0SOL     H3    3   0.009015   0.092942  -0.021043
-    1SOL     O4    4   0.058991   0.265658  -0.095138
-    1SOL     H5    5   0.057624   0.226932  -0.182664
-    1SOL     H6    6  -0.029139   0.301045  -0.083173
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/385/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076824   0.056964  -0.003920
-    0SOL     H3    3   0.074537   0.059928  -0.003898
-    1SOL     O4    4  -0.004958  -0.262532   0.102200
-    1SOL     H5    5   0.000746  -0.177419   0.058776
-    1SOL     H6    6   0.077855  -0.305741   0.081287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/386/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014372  -0.084701  -0.042209
-    0SOL     H3    3   0.078694   0.050579  -0.020280
-    1SOL     O4    4   0.019422   0.033916   0.281893
-    1SOL     H5    5   0.028255   0.039432   0.186742
-    1SOL     H6    6   0.103377   0.065141   0.315640
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/387/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069676   0.050145   0.042345
-    0SOL     H3    3   0.080307   0.029559   0.042888
-    1SOL     O4    4  -0.022528  -0.064815  -0.269329
-    1SOL     H5    5  -0.008776  -0.053952  -0.175227
-    1SOL     H6    6  -0.108626  -0.026286  -0.285606
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/388/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094342   0.008143   0.013987
-    0SOL     H3    3  -0.020308  -0.090085   0.025190
-    1SOL     O4    4  -0.234171   0.106465   0.069224
-    1SOL     H5    5  -0.242343   0.094155   0.163797
-    1SOL     H6    6  -0.140670   0.095938   0.051644
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/389/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000435  -0.034634  -0.089233
-    0SOL     H3    3  -0.066267  -0.051909   0.045568
-    1SOL     O4    4  -0.189691  -0.107418   0.162925
-    1SOL     H5    5  -0.212466  -0.100902   0.255667
-    1SOL     H6    6  -0.267362  -0.075683   0.116853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/390/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020960   0.009799  -0.092881
-    0SOL     H3    3   0.029134   0.081959   0.039953
-    1SOL     O4    4   0.045194   0.055603  -0.256968
-    1SOL     H5    5   0.117256   0.027063  -0.313137
-    1SOL     H6    6   0.030083   0.146804  -0.281797
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/391/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025526   0.016711   0.090728
-    0SOL     H3    3   0.060368  -0.074093   0.005312
-    1SOL     O4    4  -0.298410  -0.356658  -0.018748
-    1SOL     H5    5  -0.218783  -0.404003  -0.042836
-    1SOL     H6    6  -0.282934  -0.266992  -0.048460
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/392/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080011   0.044983   0.027150
-    0SOL     H3    3   0.002992  -0.084014   0.045771
-    1SOL     O4    4   0.148678   0.183735  -0.326671
-    1SOL     H5    5   0.060800   0.149489  -0.310328
-    1SOL     H6    6   0.141431   0.277618  -0.309475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/393/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075965   0.057936  -0.005924
-    0SOL     H3    3   0.074191   0.055071  -0.025005
-    1SOL     O4    4   0.240701   0.114945  -0.070167
-    1SOL     H5    5   0.312977   0.072298  -0.024127
-    1SOL     H6    6   0.246625   0.206884  -0.044197
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/394/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020016  -0.019741   0.091499
-    0SOL     H3    3  -0.001723   0.095617  -0.004100
-    1SOL     O4    4   0.026443   0.024849   0.276696
-    1SOL     H5    5   0.022885   0.118617   0.295595
-    1SOL     H6    6   0.096175  -0.008396   0.333217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/395/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.053132  -0.065916  -0.044658
-    0SOL     H3    3   0.083991  -0.001769  -0.045878
-    1SOL     O4    4  -0.229977  -0.174627  -0.074801
-    1SOL     H5    5  -0.298462  -0.118110  -0.039053
-    1SOL     H6    6  -0.242005  -0.258278  -0.029853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/396/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074114  -0.052000  -0.031070
-    0SOL     H3    3  -0.012916   0.086209  -0.039540
-    1SOL     O4    4  -0.032229   0.049323   0.288157
-    1SOL     H5    5  -0.004055   0.063869   0.197842
-    1SOL     H6    6   0.038064  -0.002645   0.327151
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078989  -0.021619   0.049555
-    0SOL     H3    3  -0.024731  -0.082013  -0.042714
-    1SOL     O4    4  -0.013056  -0.280703  -0.117350
-    1SOL     H5    5  -0.013399  -0.285326  -0.212957
-    1SOL     H6    6  -0.096269  -0.320072  -0.091120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/398/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005912   0.093180  -0.021093
-    0SOL     H3    3   0.073987  -0.031687  -0.051810
-    1SOL     O4    4   0.265116  -0.023337  -0.092781
-    1SOL     H5    5   0.250471  -0.023939  -0.187373
-    1SOL     H6    6   0.291313  -0.113022  -0.071982
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/399/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001282   0.029403  -0.091083
-    0SOL     H3    3   0.060455   0.059963   0.043726
-    1SOL     O4    4   0.022402   0.059988  -0.283383
-    1SOL     H5    5  -0.056560   0.096781  -0.323051
-    1SOL     H6    6   0.093794   0.113661  -0.317801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/400/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000675  -0.090011   0.032555
-    0SOL     H3    3   0.068828   0.044061   0.049836
-    1SOL     O4    4   0.016781  -0.019531   0.421857
-    1SOL     H5    5   0.013760  -0.051665   0.511972
-    1SOL     H6    6  -0.066381   0.026342   0.409936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/401/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020597   0.045273   0.081783
-    0SOL     H3    3  -0.073525   0.049063  -0.036731
-    1SOL     O4    4   0.235629   0.117082  -0.071493
-    1SOL     H5    5   0.152334   0.072035  -0.057526
-    1SOL     H6    6   0.298608   0.067990  -0.018710
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/402/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084363  -0.043498  -0.012378
-    0SOL     H3    3  -0.053196  -0.029307  -0.073984
-    1SOL     O4    4   0.194957   0.356671   0.284413
-    1SOL     H5    5   0.125283   0.309505   0.330056
-    1SOL     H6    6   0.185431   0.447423   0.313321
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/403/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.055637   0.035413  -0.069374
-    0SOL     H3    3   0.023766  -0.087520  -0.030623
-    1SOL     O4    4   0.081509  -0.253431  -0.049342
-    1SOL     H5    5   0.052615  -0.263263  -0.140066
-    1SOL     H6    6   0.155557  -0.313524  -0.041092
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/404/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017055  -0.078793  -0.051605
-    0SOL     H3    3  -0.061292   0.064967  -0.034424
-    1SOL     O4    4  -0.002710   0.054733   0.268195
-    1SOL     H5    5  -0.001824   0.035825   0.174365
-    1SOL     H6    6  -0.089897   0.090666   0.284613
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/405/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013093   0.003498  -0.094756
-    0SOL     H3    3   0.075597   0.046078   0.036390
-    1SOL     O4    4   0.004414  -0.272597   0.078022
-    1SOL     H5    5   0.003720  -0.272445   0.173739
-    1SOL     H6    6   0.008542  -0.180057   0.053905
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/406/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008285   0.001242   0.095353
-    0SOL     H3    3  -0.087416  -0.023145  -0.031386
-    1SOL     O4    4   0.041531  -0.010497   0.267791
-    1SOL     H5    5   0.123674  -0.055452   0.287639
-    1SOL     H6    6   0.061416   0.082334   0.280013
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/407/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080689  -0.042780  -0.028662
-    0SOL     H3    3  -0.069824  -0.059047  -0.028292
-    1SOL     O4    4   0.200306  -0.170596  -0.054162
-    1SOL     H5    5   0.232813  -0.196232  -0.140466
-    1SOL     H6    6   0.203531  -0.251066  -0.002427
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/408/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048761  -0.076237  -0.031187
-    0SOL     H3    3  -0.012989  -0.016388   0.093408
-    1SOL     O4    4  -0.026640  -0.037968   0.265605
-    1SOL     H5    5   0.024783  -0.086479   0.330139
-    1SOL     H6    6  -0.035331   0.049765   0.302884
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/409/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003732   0.007865   0.095323
-    0SOL     H3    3   0.081959  -0.043381  -0.023728
-    1SOL     O4    4   0.058980   0.276755  -0.063007
-    1SOL     H5    5   0.052261   0.186270  -0.032517
-    1SOL     H6    6  -0.018953   0.319782  -0.027829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/410/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012909  -0.090161   0.029441
-    0SOL     H3    3   0.013656  -0.007321  -0.094458
-    1SOL     O4    4  -0.035354  -0.267972   0.075531
-    1SOL     H5    5   0.027854  -0.331886   0.042636
-    1SOL     H6    6  -0.120673  -0.303829   0.051093
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/411/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007406   0.019604   0.093398
-    0SOL     H3    3   0.032446   0.081144  -0.039055
-    1SOL     O4    4   0.059215   0.256021  -0.143818
-    1SOL     H5    5   0.032553   0.230486  -0.232132
-    1SOL     H6    6   0.138683   0.307785  -0.156765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/412/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006960  -0.013764  -0.094469
-    0SOL     H3    3   0.087521   0.036683   0.012524
-    1SOL     O4    4   0.042006   0.457049   0.055691
-    1SOL     H5    5   0.045135   0.458777   0.151344
-    1SOL     H6    6   0.132354   0.440064   0.029027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/413/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073542  -0.042208  -0.044411
-    0SOL     H3    3   0.074730  -0.014805  -0.057954
-    1SOL     O4    4   0.230818  -0.117064  -0.106206
-    1SOL     H5    5   0.294703  -0.068202  -0.054307
-    1SOL     H6    6   0.248965  -0.208922  -0.086325
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/414/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080714  -0.048017  -0.018495
-    0SOL     H3    3   0.017607   0.089090  -0.030253
-    1SOL     O4    4  -0.241137  -0.131574  -0.080883
-    1SOL     H5    5  -0.173322  -0.078711  -0.038822
-    1SOL     H6    6  -0.225487  -0.120491  -0.174662
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/415/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077607   0.054042   0.014797
-    0SOL     H3    3   0.073109   0.054525   0.029058
-    1SOL     O4    4  -0.234838   0.099867   0.065123
-    1SOL     H5    5  -0.305832   0.042722   0.035856
-    1SOL     H6    6  -0.248916   0.181829   0.017728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/416/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004327  -0.084960   0.043879
-    0SOL     H3    3   0.005991  -0.020811  -0.093238
-    1SOL     O4    4  -0.013972  -0.068207  -0.276450
-    1SOL     H5    5  -0.087306  -0.009006  -0.293172
-    1SOL     H6    6   0.063305  -0.019239  -0.304608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/417/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.023792   0.014602   0.091559
-    0SOL     H3    3   0.005167   0.086689  -0.040258
-    1SOL     O4    4  -0.197291  -0.101498  -0.111153
-    1SOL     H5    5  -0.121670  -0.061495  -0.068218
-    1SOL     H6    6  -0.163533  -0.132580  -0.195157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/418/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080090   0.048237   0.020520
-    0SOL     H3    3  -0.012702  -0.030493  -0.089840
-    1SOL     O4    4   0.193728   0.167016   0.100232
-    1SOL     H5    5   0.134156   0.239797   0.118020
-    1SOL     H6    6   0.137411   0.097846   0.065500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/419/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071685  -0.048215   0.041217
-    0SOL     H3    3   0.079370  -0.039659   0.035916
-    1SOL     O4    4  -0.194880  -0.183221   0.083559
-    1SOL     H5    5  -0.285102  -0.154247   0.070041
-    1SOL     H6    6  -0.190235  -0.268348   0.040037
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/420/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084560  -0.040701   0.018853
-    0SOL     H3    3   0.064606  -0.065132   0.027317
-    1SOL     O4    4   0.029863   0.259510   0.096479
-    1SOL     H5    5   0.110460   0.290792   0.055394
-    1SOL     H6    6   0.026341   0.166394   0.074585
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/421/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.066743  -0.051336  -0.045523
-    0SOL     H3    3   0.017112  -0.015395   0.092911
-    1SOL     O4    4   0.288885   0.286057   0.213031
-    1SOL     H5    5   0.292813   0.288818   0.117431
-    1SOL     H6    6   0.298011   0.377423   0.240074
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/422/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060266   0.005724  -0.074146
-    0SOL     H3    3  -0.023835   0.073838   0.056055
-    1SOL     O4    4   0.215330   0.136491  -0.124997
-    1SOL     H5    5   0.148460   0.085649  -0.079109
-    1SOL     H6    6   0.297227   0.113641  -0.081031
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/423/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057902   0.041178  -0.064140
-    0SOL     H3    3   0.023292  -0.084145  -0.039234
-    1SOL     O4    4   0.223071   0.133199  -0.044210
-    1SOL     H5    5   0.197256   0.222332  -0.020734
-    1SOL     H6    6   0.141278   0.083487  -0.043257
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/424/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001937  -0.000038  -0.095700
-    0SOL     H3    3  -0.014069  -0.091502   0.024325
-    1SOL     O4    4  -0.037624  -0.271109   0.065489
-    1SOL     H5    5  -0.120402  -0.312967   0.041864
-    1SOL     H6    6   0.029555  -0.333296   0.037522
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/425/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083384   0.029014  -0.036982
-    0SOL     H3    3   0.010244  -0.089823  -0.031452
-    1SOL     O4    4   0.153612   0.447927  -0.021205
-    1SOL     H5    5   0.145572   0.426077   0.071640
-    1SOL     H6    6   0.063410   0.450640  -0.053120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/426/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004134   0.089020  -0.034937
-    0SOL     H3    3  -0.086548  -0.036810  -0.017799
-    1SOL     O4    4  -0.245255  -0.171606  -0.020781
-    1SOL     H5    5  -0.306252  -0.130676   0.040590
-    1SOL     H6    6  -0.264996  -0.130766  -0.105070
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/427/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007698  -0.081849   0.049028
-    0SOL     H3    3   0.032617  -0.021248  -0.087447
-    1SOL     O4    4  -0.190452   0.156069   0.095936
-    1SOL     H5    5  -0.116894   0.110822   0.054654
-    1SOL     H6    6  -0.182971   0.246581   0.065706
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/428/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082863  -0.025051  -0.040847
-    0SOL     H3    3   0.011901  -0.020243   0.092795
-    1SOL     O4    4  -0.063009   0.249940  -0.105374
-    1SOL     H5    5  -0.116624   0.312810  -0.057051
-    1SOL     H6    6  -0.045875   0.179753  -0.042584
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/429/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063771   0.043585   0.056532
-    0SOL     H3    3  -0.078406   0.054610   0.005709
-    1SOL     O4    4  -0.227343   0.152602   0.021515
-    1SOL     H5    5  -0.305417   0.116420  -0.020409
-    1SOL     H6    6  -0.237139   0.247413   0.012725
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/430/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076857   0.042066  -0.038547
-    0SOL     H3    3  -0.006713  -0.083980  -0.045438
-    1SOL     O4    4   0.014067   0.027308   0.295693
-    1SOL     H5    5   0.020897   0.017782   0.200693
-    1SOL     H6    6  -0.065004  -0.021311   0.319065
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/431/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.067434   0.053133   0.042331
-    0SOL     H3    3   0.081444   0.025680   0.043241
-    1SOL     O4    4   0.253330   0.356429   0.005444
-    1SOL     H5    5   0.328230   0.380020   0.060178
-    1SOL     H6    6   0.278494   0.383803  -0.082759
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/432/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004736   0.014171  -0.094547
-    0SOL     H3    3  -0.084482   0.030489   0.033099
-    1SOL     O4    4  -0.073330   0.056169  -0.257658
-    1SOL     H5    5  -0.053452  -0.028757  -0.297088
-    1SOL     H6    6  -0.161255   0.077231  -0.289091
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/433/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003878  -0.007315  -0.095361
-    0SOL     H3    3   0.076557  -0.051760   0.024946
-    1SOL     O4    4  -0.263768  -0.180564   0.038122
-    1SOL     H5    5  -0.262582  -0.182050   0.133824
-    1SOL     H6    6  -0.204114  -0.109537   0.014483
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-    6
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-    0SOL     H2    2  -0.004833  -0.005116   0.095461
-    0SOL     H3    3   0.018207  -0.089720  -0.027950
-    1SOL     O4    4  -0.230671   0.065047  -0.117416
-    1SOL     H5    5  -0.149397   0.030759  -0.080251
-    1SOL     H6    6  -0.215306   0.066061  -0.211889
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/435/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080686  -0.022198   0.046469
-    0SOL     H3    3  -0.003799   0.095053  -0.010624
-    1SOL     O4    4   0.262091  -0.058244   0.042973
-    1SOL     H5    5   0.253949  -0.086218   0.134151
-    1SOL     H6    6   0.174054  -0.029544   0.018722
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/436/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016459   0.018287  -0.092504
-    0SOL     H3    3  -0.047225  -0.081479   0.017128
-    1SOL     O4    4  -0.082869   0.071988  -0.266821
-    1SOL     H5    5  -0.090988  -0.016989  -0.301165
-    1SOL     H6    6   0.000976   0.103267  -0.300791
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/437/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071845  -0.060508  -0.018423
-    0SOL     H3    3  -0.015627   0.029173   0.089817
-    1SOL     O4    4   0.035275  -0.014377   0.298261
-    1SOL     H5    5  -0.060166  -0.018364   0.292131
-    1SOL     H6    6   0.062936  -0.105941   0.301891
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/438/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042930   0.083825   0.017108
-    0SOL     H3    3   0.076431  -0.000022   0.057625
-    1SOL     O4    4   0.249660  -0.033513   0.100908
-    1SOL     H5    5   0.277877  -0.059343   0.188652
-    1SOL     H6    6   0.233824  -0.116256   0.055463
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/439/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006683   0.025418  -0.092041
-    0SOL     H3    3  -0.066392   0.052791   0.044357
-    1SOL     O4    4  -0.256176   0.159902   0.023334
-    1SOL     H5    5  -0.252737   0.155892   0.118909
-    1SOL     H6    6  -0.303019   0.080476  -0.002347
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/440/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080469   0.016140   0.049261
-    0SOL     H3    3  -0.070272   0.025289   0.059872
-    1SOL     O4    4  -0.018474  -0.265798   0.102447
-    1SOL     H5    5   0.069546  -0.299774   0.086306
-    1SOL     H6    6  -0.014935  -0.174888   0.072698
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/441/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006204  -0.086650  -0.040195
-    0SOL     H3    3   0.059189   0.048822  -0.057232
-    1SOL     O4    4  -0.247195   0.110042  -0.068197
-    1SOL     H5    5  -0.154828   0.088857  -0.054714
-    1SOL     H6    6  -0.247924   0.204141  -0.085721
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/442/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001280  -0.037638   0.088000
-    0SOL     H3    3   0.075960  -0.040167  -0.042178
-    1SOL     O4    4  -0.034818  -0.087385   0.260533
-    1SOL     H5    5  -0.126977  -0.112848   0.265065
-    1SOL     H6    6  -0.033429   0.003269   0.291230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/443/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012402  -0.091129   0.026534
-    0SOL     H3    3   0.045054   0.040633   0.074036
-    1SOL     O4    4  -0.224145   0.147279   0.063336
-    1SOL     H5    5  -0.157688   0.090551   0.024248
-    1SOL     H6    6  -0.200343   0.151851   0.155937
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/444/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.023847  -0.090671  -0.019298
-    0SOL     H3    3   0.056859   0.025821  -0.072544
-    1SOL     O4    4  -0.052808  -0.262926  -0.058593
-    1SOL     H5    5  -0.047816  -0.296855  -0.147958
-    1SOL     H6    6  -0.139348  -0.289611  -0.027590
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/445/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088410  -0.035586   0.008930
-    0SOL     H3    3   0.023503   0.028333   0.088358
-    1SOL     O4    4   0.191151  -0.130966  -0.141673
-    1SOL     H5    5   0.141186  -0.067050  -0.090873
-    1SOL     H6    6   0.157546  -0.215908  -0.113072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/446/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081244  -0.042234   0.027892
-    0SOL     H3    3   0.005927   0.088899   0.034988
-    1SOL     O4    4  -0.232338  -0.123206   0.075853
-    1SOL     H5    5  -0.217846  -0.132049   0.170056
-    1SOL     H6    6  -0.157331  -0.072564   0.044683
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/447/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079252  -0.025122   0.047437
-    0SOL     H3    3  -0.069100  -0.053931   0.038457
-    1SOL     O4    4  -0.014274   0.014643  -0.297583
-    1SOL     H5    5   0.057821   0.077530  -0.300721
-    1SOL     H6    6  -0.032546   0.003719  -0.204260
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/448/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077564   0.050758  -0.023869
-    0SOL     H3    3   0.072470   0.062123  -0.007152
-    1SOL     O4    4  -0.150775   0.133326  -0.312559
-    1SOL     H5    5  -0.081413   0.081648  -0.353553
-    1SOL     H6    6  -0.135847   0.222574  -0.343774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/449/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029570  -0.029578   0.086099
-    0SOL     H3    3   0.079897   0.028555  -0.044311
-    1SOL     O4    4   0.032495  -0.085404   0.251339
-    1SOL     H5    5  -0.045750  -0.066059   0.302970
-    1SOL     H6    6   0.103019  -0.038823   0.296271
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/450/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036733   0.072652   0.050346
-    0SOL     H3    3  -0.083308   0.033491  -0.033174
-    1SOL     O4    4  -0.210427   0.119143  -0.113451
-    1SOL     H5    5  -0.236249   0.089988  -0.200890
-    1SOL     H6    6  -0.181454   0.209524  -0.125872
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/451/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011391  -0.000968  -0.095035
-    0SOL     H3    3  -0.088094  -0.034738   0.013967
-    1SOL     O4    4   0.187077  -0.152614   0.162218
-    1SOL     H5    5   0.157932  -0.072624   0.118462
-    1SOL     H6    6   0.280713  -0.157716   0.143020
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/452/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073156  -0.031142   0.053298
-    0SOL     H3    3   0.019221   0.092491  -0.015440
-    1SOL     O4    4  -0.036839  -0.147364  -0.241008
-    1SOL     H5    5   0.046744  -0.107018  -0.264425
-    1SOL     H6    6  -0.045395  -0.131966  -0.146923
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/453/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087950   0.036212  -0.010764
-    0SOL     H3    3  -0.008112  -0.061462   0.072931
-    1SOL     O4    4   0.001252  -0.180875   0.196749
-    1SOL     H5    5  -0.007018  -0.196901   0.290755
-    1SOL     H6    6  -0.062593  -0.239846   0.156643
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/454/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066408  -0.043157   0.053756
-    0SOL     H3    3   0.083206  -0.024029   0.040764
-    1SOL     O4    4  -0.031175  -0.046836  -0.260748
-    1SOL     H5    5  -0.039018  -0.036578  -0.165903
-    1SOL     H6    6  -0.115821  -0.018204  -0.295064
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/455/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093597   0.018898  -0.006699
-    0SOL     H3    3   0.023186   0.024984   0.089446
-    1SOL     O4    4  -0.251135   0.055946  -0.012110
-    1SOL     H5    5  -0.268550   0.059693   0.081937
-    1SOL     H6    6  -0.326803   0.010162  -0.048723
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/456/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071643  -0.049582   0.039639
-    0SOL     H3    3  -0.064275  -0.066426  -0.024872
-    1SOL     O4    4  -0.065156   0.250702   0.093734
-    1SOL     H5    5  -0.159546   0.265063   0.100561
-    1SOL     H6    6  -0.055955   0.155947   0.083779
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/457/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073856   0.059838   0.011269
-    0SOL     H3    3  -0.020370  -0.048467  -0.079990
-    1SOL     O4    4  -0.282437   0.168654   0.229362
-    1SOL     H5    5  -0.363780   0.118403   0.233894
-    1SOL     H6    6  -0.308136   0.258016   0.252084
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/458/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000004   0.095562  -0.005491
-    0SOL     H3    3  -0.004447  -0.018650   0.093780
-    1SOL     O4    4  -0.072701   0.013315   0.268679
-    1SOL     H5    5  -0.161748   0.044791   0.284240
-    1SOL     H6    6  -0.062041  -0.059670   0.329686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/459/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009125   0.080124   0.051567
-    0SOL     H3    3   0.082578  -0.046572   0.013203
-    1SOL     O4    4  -0.324330  -0.119516   0.032781
-    1SOL     H5    5  -0.348648  -0.190555  -0.026587
-    1SOL     H6    6  -0.228834  -0.123921   0.037629
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/460/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091671  -0.023877   0.013736
-    0SOL     H3    3   0.049636  -0.069359   0.043450
-    1SOL     O4    4   0.087464  -0.239779   0.096471
-    1SOL     H5    5   0.022183  -0.280904   0.039819
-    1SOL     H6    6   0.169618  -0.283511   0.074098
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/461/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000508   0.091766   0.027224
-    0SOL     H3    3  -0.044866   0.000299  -0.084554
-    1SOL     O4    4   0.018069   0.262013   0.075024
-    1SOL     H5    5  -0.024595   0.336630   0.032901
-    1SOL     H6    6   0.022747   0.286127   0.167538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/462/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.089863   0.013693  -0.029989
-    0SOL     H3    3   0.006076  -0.073193   0.061385
-    1SOL     O4    4   0.229748   0.061248  -0.116615
-    1SOL     H5    5   0.301384   0.099606  -0.066027
-    1SOL     H6    6   0.272971   0.016913  -0.189613
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/463/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036619   0.040662  -0.078536
-    0SOL     H3    3  -0.094114   0.016331  -0.006178
-    1SOL     O4    4   0.115672  -0.162869   0.199441
-    1SOL     H5    5   0.089862  -0.093490   0.138756
-    1SOL     H6    6   0.203736  -0.187762   0.171380
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/464/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.048751  -0.066299   0.048889
-    0SOL     H3    3   0.091965  -0.020956   0.016299
-    1SOL     O4    4   0.217684  -0.173921   0.060589
-    1SOL     H5    5   0.255902  -0.123627   0.132507
-    1SOL     H6    6   0.217802  -0.264391   0.091853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/465/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004903  -0.020152   0.093446
-    0SOL     H3    3  -0.093371  -0.004344  -0.020621
-    1SOL     O4    4  -0.322195   0.034662  -0.054672
-    1SOL     H5    5  -0.400500  -0.007357  -0.019106
-    1SOL     H6    6  -0.342421   0.048736  -0.147166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/466/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061293  -0.010748  -0.072732
-    0SOL     H3    3   0.086450  -0.010600  -0.039703
-    1SOL     O4    4  -0.112977  -0.006383  -0.241208
-    1SOL     H5    5  -0.107990   0.073330  -0.293964
-    1SOL     H6    6  -0.204230  -0.034339  -0.248531
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/467/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.023408   0.092615  -0.006072
-    0SOL     H3    3   0.036393  -0.021240  -0.085946
-    1SOL     O4    4  -0.021282   0.257127  -0.098182
-    1SOL     H5    5  -0.092462   0.250400  -0.161825
-    1SOL     H6    6   0.058068   0.240545  -0.149083
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/468/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.048330   0.012993   0.081595
-    0SOL     H3    3  -0.051966  -0.063911  -0.048757
-    1SOL     O4    4   0.266071  -0.005687  -0.065387
-    1SOL     H5    5   0.261929   0.085701  -0.037223
-    1SOL     H6    6   0.182387  -0.043107  -0.037835
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/469/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022126   0.000622  -0.093126
-    0SOL     H3    3  -0.078744  -0.054133   0.005597
-    1SOL     O4    4  -0.143958   0.060666   0.374986
-    1SOL     H5    5  -0.093347  -0.020297   0.381754
-    1SOL     H6    6  -0.078276   0.128966   0.361449
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-    6
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-    0SOL     H2    2   0.082910  -0.043309  -0.020313
-    0SOL     H3    3  -0.065984  -0.068633  -0.009900
-    1SOL     O4    4  -0.171697  -0.239458  -0.015503
-    1SOL     H5    5  -0.215313  -0.194658  -0.087980
-    1SOL     H6    6  -0.242998  -0.266711   0.042253
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000623  -0.093253  -0.021585
-    0SOL     H3    3  -0.090310   0.017982   0.026135
-    1SOL     O4    4   0.252762   0.078124   0.068274
-    1SOL     H5    5   0.290584   0.003658   0.115036
-    1SOL     H6    6   0.165743   0.048215   0.041903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/472/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017072  -0.018048  -0.092440
-    0SOL     H3    3  -0.037128   0.086989   0.014723
-    1SOL     O4    4  -0.039913   0.272187   0.095633
-    1SOL     H5    5  -0.119974   0.302457   0.052780
-    1SOL     H6    6   0.028286   0.331154   0.063475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/473/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049495  -0.005815  -0.081723
-    0SOL     H3    3  -0.057205  -0.076738  -0.001076
-    1SOL     O4    4  -0.207605  -0.156290   0.088522
-    1SOL     H5    5  -0.300972  -0.143442   0.071788
-    1SOL     H6    6  -0.200117  -0.248455   0.113256
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/474/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018555   0.093709   0.006054
-    0SOL     H3    3  -0.083077  -0.011052   0.046243
-    1SOL     O4    4   0.084191  -0.183223   0.378421
-    1SOL     H5    5   0.026051  -0.238417   0.326117
-    1SOL     H6    6   0.026171  -0.118545   0.418580
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/475/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007985  -0.043640   0.084818
-    0SOL     H3    3   0.087113  -0.024278  -0.031374
-    1SOL     O4    4  -0.022872   0.297941   0.076324
-    1SOL     H5    5   0.047675   0.361083   0.090416
-    1SOL     H6    6   0.022005   0.214613   0.062014
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/476/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074773   0.050060  -0.032639
-    0SOL     H3    3   0.046784   0.061104   0.056920
-    1SOL     O4    4   0.064059  -0.151598  -0.336233
-    1SOL     H5    5   0.014787  -0.212194  -0.280891
-    1SOL     H6    6   0.144364  -0.198904  -0.358042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/477/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042136   0.085582  -0.007913
-    0SOL     H3    3   0.010984  -0.012722   0.094233
-    1SOL     O4    4  -0.252064  -0.170024  -0.015518
-    1SOL     H5    5  -0.282802  -0.184545   0.073961
-    1SOL     H6    6  -0.165762  -0.129966  -0.005044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/478/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032259   0.054477   0.071791
-    0SOL     H3    3   0.024920   0.047528  -0.079262
-    1SOL     O4    4   0.119629   0.148668  -0.214193
-    1SOL     H5    5   0.082536   0.111619  -0.294279
-    1SOL     H6    6   0.212784   0.127123  -0.218688
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/479/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.086682  -0.000488  -0.040598
-    0SOL     H3    3  -0.017224  -0.011169   0.093493
-    1SOL     O4    4  -0.214956  -0.006886  -0.134917
-    1SOL     H5    5  -0.273956   0.001627  -0.060025
-    1SOL     H6    6  -0.207751  -0.101262  -0.149186
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/480/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065376   0.048784   0.050085
-    0SOL     H3    3  -0.025989   0.011875  -0.091356
-    1SOL     O4    4  -0.026034   0.361582   0.003687
-    1SOL     H5    5  -0.088490   0.290559   0.018433
-    1SOL     H6    6  -0.063391   0.436434   0.050205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/481/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080343   0.051731  -0.005590
-    0SOL     H3    3  -0.028647  -0.085398   0.032386
-    1SOL     O4    4  -0.196846  -0.188110   0.058695
-    1SOL     H5    5  -0.248705  -0.264657   0.033928
-    1SOL     H6    6  -0.257253  -0.114367   0.050017
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/482/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025248   0.024205  -0.089101
-    0SOL     H3    3  -0.018733   0.077969   0.052271
-    1SOL     O4    4   0.030064  -0.239797   0.122105
-    1SOL     H5    5  -0.058810  -0.261015   0.093582
-    1SOL     H6    6   0.048989  -0.155475   0.080947
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/483/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031226   0.084158  -0.033236
-    0SOL     H3    3  -0.042116  -0.041416  -0.075321
-    1SOL     O4    4   0.095298  -0.177966   0.241425
-    1SOL     H5    5   0.038273  -0.230164   0.184982
-    1SOL     H6    6   0.098700  -0.092095   0.199273
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/484/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.025598   0.092227  -0.001071
-    0SOL     H3    3   0.059857  -0.042237  -0.061607
-    1SOL     O4    4   0.118219   0.258916  -0.051970
-    1SOL     H5    5   0.205150   0.247338  -0.013614
-    1SOL     H6    6   0.091146   0.346394  -0.024097
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/485/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.062475  -0.033562  -0.064287
-    0SOL     H3    3   0.054123   0.027294   0.074081
-    1SOL     O4    4   0.232831  -0.098547  -0.166128
-    1SOL     H5    5   0.305423  -0.060317  -0.215436
-    1SOL     H6    6   0.240799  -0.192787  -0.180877
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/486/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006713  -0.031506  -0.090137
-    0SOL     H3    3  -0.016302   0.094118  -0.006198
-    1SOL     O4    4   0.148848   0.405577   0.077794
-    1SOL     H5    5   0.169277   0.494309   0.048270
-    1SOL     H6    6   0.087902   0.371872   0.012129
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/487/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.042902  -0.081920   0.024714
-    0SOL     H3    3   0.053791   0.034750  -0.071143
-    1SOL     O4    4   0.159941  -0.259192   0.042110
-    1SOL     H5    5   0.170182  -0.251305   0.136953
-    1SOL     H6    6   0.076747  -0.305135   0.030694
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/488/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017631  -0.025748  -0.090490
-    0SOL     H3    3   0.095431  -0.001620   0.007253
-    1SOL     O4    4   0.055667  -0.266091   0.034413
-    1SOL     H5    5   0.066073  -0.268451   0.129537
-    1SOL     H6    6   0.022190  -0.178305   0.016104
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/489/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.046137  -0.078286  -0.030082
-    0SOL     H3    3  -0.069284   0.064171   0.015624
-    1SOL     O4    4   0.080924  -0.057449   0.257317
-    1SOL     H5    5   0.025222   0.000696   0.309074
-    1SOL     H6    6   0.062979  -0.033268   0.166456
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/490/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064423   0.062936   0.032421
-    0SOL     H3    3   0.082333   0.048782  -0.001949
-    1SOL     O4    4  -0.057280  -0.260651   0.085899
-    1SOL     H5    5  -0.032793  -0.245023   0.177105
-    1SOL     H6    6  -0.058070  -0.173640   0.046016
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/491/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083100  -0.025174   0.040286
-    0SOL     H3    3   0.014234   0.089656  -0.030357
-    1SOL     O4    4  -0.237566  -0.161049   0.092538
-    1SOL     H5    5  -0.209408  -0.252234   0.099940
-    1SOL     H6    6  -0.156444  -0.111831   0.079924
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/492/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000687  -0.054747  -0.078515
-    0SOL     H3    3  -0.009781  -0.061803   0.072437
-    1SOL     O4    4  -0.006632   0.253545   0.122693
-    1SOL     H5    5   0.002784   0.174686   0.069261
-    1SOL     H6    6  -0.039372   0.319905   0.061975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/493/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073810  -0.023963   0.056038
-    0SOL     H3    3  -0.010620   0.094198   0.013276
-    1SOL     O4    4   0.374988  -0.088161  -0.168345
-    1SOL     H5    5   0.331135  -0.123349  -0.245811
-    1SOL     H6    6   0.460532  -0.059357  -0.200201
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/494/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071616  -0.037953   0.050921
-    0SOL     H3    3  -0.010824   0.094563   0.010146
-    1SOL     O4    4  -0.047214   0.254042   0.067326
-    1SOL     H5    5  -0.085393   0.248940   0.154953
-    1SOL     H6    6  -0.116516   0.291726   0.013109
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/495/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025374   0.043491  -0.081406
-    0SOL     H3    3   0.069232  -0.060832  -0.025860
-    1SOL     O4    4   0.148570  -0.206534  -0.128914
-    1SOL     H5    5   0.187796  -0.257166  -0.057780
-    1SOL     H6    6   0.129632  -0.271264  -0.196839
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/496/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000420   0.053917   0.079089
-    0SOL     H3    3   0.088414   0.009891  -0.035319
-    1SOL     O4    4  -0.228582  -0.104866  -0.103937
-    1SOL     H5    5  -0.136663  -0.082417  -0.089473
-    1SOL     H6    6  -0.277383  -0.031637  -0.066277
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/497/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073978  -0.029237  -0.053243
-    0SOL     H3    3  -0.037782   0.017049   0.086280
-    1SOL     O4    4  -0.215344  -0.085620  -0.137415
-    1SOL     H5    5  -0.261319  -0.156331  -0.092153
-    1SOL     H6    6  -0.209557  -0.115075  -0.228306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/498/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072086   0.050927   0.037046
-    0SOL     H3    3  -0.013605  -0.071268   0.062435
-    1SOL     O4    4  -0.201218   0.169835   0.068715
-    1SOL     H5    5  -0.120461   0.127344   0.039818
-    1SOL     H6    6  -0.186629   0.262958   0.052053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/499/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063403   0.062464   0.035223
-    0SOL     H3    3  -0.085304   0.036946   0.022815
-    1SOL     O4    4  -0.264710   0.052507   0.091540
-    1SOL     H5    5  -0.318330   0.063802   0.013056
-    1SOL     H6    6  -0.260654   0.139800   0.130601
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/500/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013523   0.093555  -0.015062
-    0SOL     H3    3  -0.026829  -0.041620  -0.081916
-    1SOL     O4    4  -0.217348   0.133574  -0.320394
-    1SOL     H5    5  -0.169399   0.050870  -0.315574
-    1SOL     H6    6  -0.225023   0.151437  -0.414119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/501/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010816   0.092159  -0.023494
-    0SOL     H3    3  -0.085815  -0.023801  -0.035093
-    1SOL     O4    4   0.339308   0.036827  -0.220048
-    1SOL     H5    5   0.333035   0.080883  -0.135300
-    1SOL     H6    6   0.295159  -0.047066  -0.206810
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/502/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009013  -0.025191   0.091905
-    0SOL     H3    3   0.052822   0.079799   0.002058
-    1SOL     O4    4   0.009983  -0.060807   0.265733
-    1SOL     H5    5  -0.079160  -0.041843   0.294995
-    1SOL     H6    6   0.059260   0.018769   0.285776
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/503/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094248  -0.016503  -0.002695
-    0SOL     H3    3   0.008200   0.085455   0.042339
-    1SOL     O4    4   0.203826  -0.167613  -0.162159
-    1SOL     H5    5   0.144414  -0.094972  -0.143294
-    1SOL     H6    6   0.179713  -0.196063  -0.250315
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/504/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072566   0.009869   0.061637
-    0SOL     H3    3  -0.042203  -0.016520  -0.084311
-    1SOL     O4    4  -0.221157  -0.114152  -0.192982
-    1SOL     H5    5  -0.296952  -0.056524  -0.183153
-    1SOL     H6    6  -0.258440  -0.202156  -0.198225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/505/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.023003  -0.088121  -0.029459
-    0SOL     H3    3  -0.080067   0.021206  -0.047978
-    1SOL     O4    4   0.162942   0.260644  -0.099021
-    1SOL     H5    5   0.135715   0.173509  -0.070238
-    1SOL     H6    6   0.118272   0.320681  -0.039336
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/506/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065992  -0.027140   0.063802
-    0SOL     H3    3  -0.035196   0.080396  -0.038210
-    1SOL     O4    4  -0.225976  -0.036453   0.151471
-    1SOL     H5    5  -0.303236   0.018414   0.164994
-    1SOL     H6    6  -0.259929  -0.125945   0.150716
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022994  -0.091504  -0.016144
-    0SOL     H3    3  -0.067672   0.050136  -0.045488
-    1SOL     O4    4   0.247144   0.021646  -0.141547
-    1SOL     H5    5   0.307968  -0.045999  -0.111766
-    1SOL     H6    6   0.176913   0.021088  -0.076512
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/508/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.059065   0.060864   0.044376
-    0SOL     H3    3   0.078060   0.051980  -0.019160
-    1SOL     O4    4  -0.214926   0.194570   0.085299
-    1SOL     H5    5  -0.303603   0.160611   0.097356
-    1SOL     H6    6  -0.226159   0.271937   0.030068
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/509/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029849  -0.054413   0.072874
-    0SOL     H3    3   0.078381   0.014092  -0.053105
-    1SOL     O4    4  -0.002650  -0.092205   0.254720
-    1SOL     H5    5   0.080769  -0.055943   0.284530
-    1SOL     H6    6   0.017494  -0.182877   0.231588
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/510/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009919  -0.092179   0.023810
-    0SOL     H3    3  -0.020248  -0.001421  -0.093543
-    1SOL     O4    4   0.097323   0.007435  -0.300133
-    1SOL     H5    5   0.185652  -0.029163  -0.295563
-    1SOL     H6    6   0.110301   0.098016  -0.328223
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/511/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.085347   0.016899  -0.039909
-    0SOL     H3    3   0.017067  -0.067847   0.065328
-    1SOL     O4    4   0.032852  -0.203169   0.181125
-    1SOL     H5    5   0.087872  -0.266312   0.134778
-    1SOL     H6    6  -0.025684  -0.256940   0.234459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/512/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048237   0.009127   0.082171
-    0SOL     H3    3  -0.042640  -0.085446   0.006567
-    1SOL     O4    4   0.052304   0.076229   0.274704
-    1SOL     H5    5   0.082350  -0.005398   0.314660
-    1SOL     H6    6   0.110933   0.143194   0.309927
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/513/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082202   0.044936   0.019645
-    0SOL     H3    3   0.002974  -0.015272  -0.094447
-    1SOL     O4    4   0.096826  -0.056266  -0.264409
-    1SOL     H5    5   0.148485   0.004966  -0.316796
-    1SOL     H6    6   0.161813  -0.112165  -0.221813
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/514/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.051564   0.034464   0.072909
-    0SOL     H3    3  -0.065118  -0.031945  -0.062462
-    1SOL     O4    4   0.237297  -0.136487   0.073594
-    1SOL     H5    5   0.222403  -0.229827   0.088701
-    1SOL     H6    6   0.158278  -0.106545   0.028630
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/515/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.059843   0.065671   0.035615
-    0SOL     H3    3   0.031108  -0.082966   0.036212
-    1SOL     O4    4   0.253747  -0.044807   0.178196
-    1SOL     H5    5   0.275400  -0.121932   0.230592
-    1SOL     H6    6   0.336441  -0.019810   0.136975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/516/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.067224  -0.055106  -0.040082
-    0SOL     H3    3  -0.009054   0.084612  -0.043831
-    1SOL     O4    4  -0.181507  -0.084852  -0.203030
-    1SOL     H5    5  -0.181833  -0.005148  -0.256034
-    1SOL     H6    6  -0.268571  -0.087642  -0.163352
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/517/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.040380  -0.061779   0.060952
-    0SOL     H3    3  -0.048559   0.081498   0.012745
-    1SOL     O4    4  -0.157865  -0.157509   0.164963
-    1SOL     H5    5  -0.124040  -0.134143   0.251405
-    1SOL     H6    6  -0.111582  -0.238107   0.142065
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/518/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.043945  -0.047170   0.070754
-    0SOL     H3    3   0.055362  -0.014743  -0.076681
-    1SOL     O4    4  -0.047615   0.276355   0.054877
-    1SOL     H5    5  -0.036388   0.181317   0.052875
-    1SOL     H6    6  -0.121404   0.290560   0.114171
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/519/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006898  -0.015223  -0.094250
-    0SOL     H3    3  -0.023192   0.092546   0.007728
-    1SOL     O4    4  -0.164385  -0.220671   0.073150
-    1SOL     H5    5  -0.117114  -0.140436   0.051010
-    1SOL     H6    6  -0.229033  -0.193262   0.138202
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/520/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.055170   0.078214  -0.001043
-    0SOL     H3    3   0.058198   0.012680   0.074930
-    1SOL     O4    4   0.198264  -0.037407   0.199648
-    1SOL     H5    5   0.193464  -0.083989   0.283131
-    1SOL     H6    6   0.291555  -0.036028   0.178265
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/521/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072641  -0.033771  -0.052394
-    0SOL     H3    3  -0.010615  -0.041756   0.085476
-    1SOL     O4    4  -0.074202  -0.120726   0.273339
-    1SOL     H5    5  -0.081932  -0.214559   0.256074
-    1SOL     H6    6  -0.162737  -0.093365   0.297327
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/522/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006188   0.007850   0.095197
-    0SOL     H3    3  -0.054507   0.071177  -0.033543
-    1SOL     O4    4   0.035281  -0.229456  -0.159174
-    1SOL     H5    5  -0.016462  -0.305562  -0.132851
-    1SOL     H6    6   0.004247  -0.158651  -0.102730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/523/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.033916  -0.086657  -0.022417
-    0SOL     H3    3  -0.073053   0.043803   0.043668
-    1SOL     O4    4   0.035407  -0.215203  -0.182387
-    1SOL     H5    5  -0.014298  -0.206202  -0.263693
-    1SOL     H6    6  -0.007134  -0.287397  -0.136120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/524/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011718   0.092136   0.023149
-    0SOL     H3    3  -0.061379  -0.046934   0.056499
-    1SOL     O4    4  -0.176524  -0.081947   0.348994
-    1SOL     H5    5  -0.224667  -0.067591   0.267517
-    1SOL     H6    6  -0.194192  -0.173283   0.371534
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/525/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.038718   0.034301   0.080540
-    0SOL     H3    3  -0.005548   0.075829  -0.058150
-    1SOL     O4    4   0.308634   0.200772  -0.141816
-    1SOL     H5    5   0.364945   0.134651  -0.101574
-    1SOL     H6    6   0.285844   0.259812  -0.070003
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/526/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.027709   0.053048  -0.074702
-    0SOL     H3    3  -0.027624  -0.083149  -0.038542
-    1SOL     O4    4   0.115590   0.067407  -0.251647
-    1SOL     H5    5   0.148976   0.150951  -0.284329
-    1SOL     H6    6   0.178138   0.002397  -0.283645
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/527/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028200   0.090513  -0.013210
-    0SOL     H3    3   0.084267  -0.005699  -0.045042
-    1SOL     O4    4  -0.113723   0.244514  -0.095272
-    1SOL     H5    5  -0.146854   0.263325  -0.183084
-    1SOL     H6    6  -0.185591   0.268632  -0.036830
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/528/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044817  -0.076770  -0.035497
-    0SOL     H3    3   0.069925   0.053149   0.038052
-    1SOL     O4    4   0.190683   0.127598   0.167525
-    1SOL     H5    5   0.121930   0.151066   0.229853
-    1SOL     H6    6   0.215570   0.038390   0.191711
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/529/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030008   0.066742   0.061704
-    0SOL     H3    3  -0.011723  -0.078548   0.053434
-    1SOL     O4    4   0.089892   0.221455   0.134423
-    1SOL     H5    5   0.052935   0.226798   0.222559
-    1SOL     H6    6   0.177286   0.184572   0.147241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/530/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004432   0.064352  -0.070721
-    0SOL     H3    3  -0.087285   0.001441   0.039263
-    1SOL     O4    4  -0.070120  -0.261388  -0.106386
-    1SOL     H5    5  -0.037725  -0.175934  -0.077919
-    1SOL     H6    6  -0.094812  -0.305912  -0.025328
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/531/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.053256   0.076164   0.022918
-    0SOL     H3    3   0.089316   0.025252   0.023394
-    1SOL     O4    4  -0.186026   0.206610   0.064549
-    1SOL     H5    5  -0.215592   0.297487   0.059108
-    1SOL     H6    6  -0.222608   0.174362   0.146914
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/532/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018833   0.093587   0.007007
-    0SOL     H3    3  -0.080616  -0.042915   0.028664
-    1SOL     O4    4   0.123731  -0.045574  -0.227059
-    1SOL     H5    5   0.202438  -0.095465  -0.205185
-    1SOL     H6    6   0.084672  -0.024018  -0.142371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/533/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060693  -0.001258   0.074007
-    0SOL     H3    3   0.081432   0.034798   0.036334
-    1SOL     O4    4   0.205265   0.141051   0.214394
-    1SOL     H5    5   0.238538   0.228756   0.195340
-    1SOL     H6    6   0.192074   0.140459   0.309199
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/534/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085075  -0.026359  -0.035067
-    0SOL     H3    3   0.023423   0.078150  -0.050062
-    1SOL     O4    4   0.130450  -0.235196   0.059659
-    1SOL     H5    5   0.214092  -0.236124   0.013125
-    1SOL     H6    6   0.099937  -0.144762   0.052377
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/535/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.035684   0.062094   0.063508
-    0SOL     H3    3   0.076011  -0.049634  -0.030352
-    1SOL     O4    4  -0.125412  -0.286590   0.204496
-    1SOL     H5    5  -0.142101  -0.280581   0.110434
-    1SOL     H6    6  -0.161526  -0.205585   0.240500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/536/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.046710   0.082231  -0.014782
-    0SOL     H3    3  -0.046859  -0.064151  -0.053396
-    1SOL     O4    4   0.208275   0.019245  -0.162954
-    1SOL     H5    5   0.145388   0.032731  -0.092062
-    1SOL     H6    6   0.276652   0.084323  -0.147082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/537/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049863  -0.041272   0.070517
-    0SOL     H3    3   0.042523  -0.030140  -0.080285
-    1SOL     O4    4  -0.043633   0.176722  -0.365194
-    1SOL     H5    5  -0.056898   0.140654  -0.452860
-    1SOL     H6    6   0.016469   0.115419  -0.322862
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/538/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024414  -0.088633  -0.026656
-    0SOL     H3    3   0.022658  -0.008185   0.092639
-    1SOL     O4    4  -0.164927  -0.213012  -0.105454
-    1SOL     H5    5  -0.220291  -0.134954  -0.103434
-    1SOL     H6    6  -0.197213  -0.267203  -0.033459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/539/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.050403   0.023468  -0.077917
-    0SOL     H3    3   0.033244  -0.087839  -0.018479
-    1SOL     O4    4   0.331906   0.223305  -0.164664
-    1SOL     H5    5   0.417277   0.262270  -0.145801
-    1SOL     H6    6   0.331779   0.140984  -0.115823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/540/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092581   0.001042   0.024288
-    0SOL     H3    3  -0.039768   0.068236   0.054080
-    1SOL     O4    4  -0.069250  -0.273728  -0.017546
-    1SOL     H5    5  -0.032044  -0.186230  -0.006494
-    1SOL     H6    6  -0.163759  -0.260799  -0.009598
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/541/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079839   0.039315   0.035248
-    0SOL     H3    3  -0.058333   0.074223  -0.015829
-    1SOL     O4    4   0.148568   0.205006   0.102865
-    1SOL     H5    5   0.125159   0.290010   0.140131
-    1SOL     H6    6   0.214457   0.169872   0.162752
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/542/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.089168   0.032403   0.012708
-    0SOL     H3    3  -0.022766   0.026682  -0.089063
-    1SOL     O4    4  -0.079347   0.379486  -0.149611
-    1SOL     H5    5   0.011292   0.348716  -0.149661
-    1SOL     H6    6  -0.074052   0.469793  -0.180898
-  3.000000   3.000000   3.000000
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-    6
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-    0SOL     H2    2  -0.094071  -0.004149   0.017198
-    0SOL     H3    3   0.014298   0.088305  -0.034061
-    1SOL     O4    4   0.113834   0.064303   0.226160
-    1SOL     H5    5   0.098601   0.047140   0.133232
-    1SOL     H6    6   0.184403   0.128963   0.227369
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/544/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073895   0.024019  -0.055901
-    0SOL     H3    3  -0.009496   0.055426   0.077460
-    1SOL     O4    4   0.144992   0.109217   0.234360
-    1SOL     H5    5   0.163318   0.190501   0.281471
-    1SOL     H6    6   0.227339   0.087805   0.190510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/545/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057916   0.073226   0.021121
-    0SOL     H3    3  -0.015530  -0.016848  -0.092937
-    1SOL     O4    4  -0.188607   0.198796  -0.020884
-    1SOL     H5    5  -0.130298   0.270099  -0.046925
-    1SOL     H6    6  -0.276454   0.236417  -0.026357
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/546/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016897   0.067819  -0.065402
-    0SOL     H3    3   0.017794   0.048355   0.080669
-    1SOL     O4    4   0.075105   0.079459   0.266593
-    1SOL     H5    5  -0.016358   0.090681   0.292494
-    1SOL     H6    6   0.112966   0.167092   0.273629
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/547/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082648   0.041162  -0.025245
-    0SOL     H3    3   0.042639  -0.021132  -0.083053
-    1SOL     O4    4   0.162248  -0.091620  -0.196185
-    1SOL     H5    5   0.228909  -0.027449  -0.171676
-    1SOL     H6    6   0.146392  -0.075427  -0.289184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/548/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.067654   0.024079  -0.063289
-    0SOL     H3    3   0.079004  -0.011956  -0.052705
-    1SOL     O4    4   0.022295   0.108092   0.262205
-    1SOL     H5    5   0.037047   0.103581   0.167737
-    1SOL     H6    6  -0.058437   0.158672   0.271499
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/549/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081009   0.049882  -0.010569
-    0SOL     H3    3   0.067845   0.056198  -0.037432
-    1SOL     O4    4   0.227443   0.142192  -0.071906
-    1SOL     H5    5   0.279205   0.105174  -0.143408
-    1SOL     H6    6   0.266384   0.105444   0.007438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/550/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092244  -0.024976  -0.005432
-    0SOL     H3    3  -0.009570   0.037597   0.087505
-    1SOL     O4    4  -0.133348   0.173404  -0.179074
-    1SOL     H5    5  -0.124140   0.138117  -0.267574
-    1SOL     H6    6  -0.088575   0.109922  -0.123148
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/551/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.014985   0.017226  -0.092957
-    0SOL     H3    3   0.077410  -0.056274   0.001805
-    1SOL     O4    4  -0.314627  -0.156340  -0.241043
-    1SOL     H5    5  -0.255115  -0.231188  -0.245321
-    1SOL     H6    6  -0.281046  -0.095202  -0.306593
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/552/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.057323  -0.067974  -0.035439
-    0SOL     H3    3   0.037722   0.082094  -0.031623
-    1SOL     O4    4   0.191968  -0.281434   0.140871
-    1SOL     H5    5   0.109052  -0.237121   0.122880
-    1SOL     H6    6   0.258599  -0.223789   0.103458
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/553/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.054086  -0.045830  -0.064317
-    0SOL     H3    3   0.089994  -0.020567  -0.025307
-    1SOL     O4    4  -0.154044  -0.147159  -0.194870
-    1SOL     H5    5  -0.176223  -0.078717  -0.258006
-    1SOL     H6    6  -0.236647  -0.192843  -0.178991
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/554/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081045   0.047769   0.017666
-    0SOL     H3    3  -0.063448   0.036817   0.061491
-    1SOL     O4    4  -0.074294   0.097184  -0.256888
-    1SOL     H5    5  -0.050328   0.058499  -0.172678
-    1SOL     H6    6  -0.017537   0.173822  -0.265114
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/555/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.019542  -0.078635   0.050960
-    0SOL     H3    3  -0.027205   0.072466   0.056310
-    1SOL     O4    4  -0.067815   0.225780   0.147174
-    1SOL     H5    5  -0.060207   0.211983   0.241589
-    1SOL     H6    6  -0.034741   0.314502   0.133144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/556/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.030327  -0.042464   0.080246
-    0SOL     H3    3  -0.080274   0.025719  -0.045354
-    1SOL     O4    4   0.191866   0.179031   0.031904
-    1SOL     H5    5   0.123484   0.113406   0.045303
-    1SOL     H6    6   0.225199   0.161341  -0.056064
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/557/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017138   0.055628   0.075988
-    0SOL     H3    3  -0.083397  -0.043810  -0.016968
-    1SOL     O4    4   0.201269  -0.225249   0.066691
-    1SOL     H5    5   0.118472  -0.179983   0.082752
-    1SOL     H6    6   0.191989  -0.309050   0.112008
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/558/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090788  -0.014476   0.026651
-    0SOL     H3    3   0.051931  -0.028786   0.075079
-    1SOL     O4    4  -0.260630   0.002486   0.094936
-    1SOL     H5    5  -0.262710   0.019222   0.189158
-    1SOL     H6    6  -0.349639  -0.025490   0.073560
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/559/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.043688  -0.056241   0.063958
-    0SOL     H3    3  -0.087633  -0.037444  -0.008983
-    1SOL     O4    4   0.094086  -0.162231   0.226112
-    1SOL     H5    5   0.182237  -0.125515   0.232714
-    1SOL     H6    6   0.102436  -0.251071   0.260755
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/560/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005420  -0.024381  -0.092404
-    0SOL     H3    3   0.059981  -0.064049   0.038241
-    1SOL     O4    4  -0.085438   0.255289   0.070194
-    1SOL     H5    5  -0.072284   0.239729   0.163720
-    1SOL     H6    6  -0.081564   0.168227   0.030602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/561/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074493  -0.005196   0.059885
-    0SOL     H3    3  -0.030876   0.090260   0.007880
-    1SOL     O4    4  -0.209002   0.048943  -0.260175
-    1SOL     H5    5  -0.216577   0.142011  -0.281228
-    1SOL     H6    6  -0.281550   0.031948  -0.200089
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/562/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008142   0.082764  -0.047394
-    0SOL     H3    3  -0.088967  -0.029829  -0.018905
-    1SOL     O4    4  -0.001376   0.233566  -0.182126
-    1SOL     H5    5  -0.029464   0.218316  -0.272352
-    1SOL     H6    6  -0.081369   0.258853  -0.136038
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/563/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048518   0.072698  -0.039029
-    0SOL     H3    3  -0.041122  -0.044073  -0.074356
-    1SOL     O4    4  -0.048426  -0.252420   0.206512
-    1SOL     H5    5  -0.008876  -0.294521   0.282838
-    1SOL     H6    6  -0.085335  -0.324653   0.155696
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/564/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017747  -0.021142   0.091653
-    0SOL     H3    3  -0.036605  -0.080537  -0.036554
-    1SOL     O4    4  -0.120164   0.229349  -0.034469
-    1SOL     H5    5  -0.213493   0.226475  -0.055534
-    1SOL     H6    6  -0.100054   0.141389  -0.002517
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/565/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005551  -0.095432   0.004929
-    0SOL     H3    3   0.090622   0.017489  -0.025380
-    1SOL     O4    4  -0.049497   0.151209  -0.246888
-    1SOL     H5    5  -0.040434   0.097426  -0.168227
-    1SOL     H6    6  -0.135081   0.193062  -0.237614
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/566/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.054230  -0.017759  -0.076851
-    0SOL     H3    3   0.030204  -0.086240   0.028507
-    1SOL     O4    4   0.071276   0.272224  -0.000671
-    1SOL     H5    5   0.058538   0.177598   0.006110
-    1SOL     H6    6   0.121590   0.283952  -0.081251
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/567/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047683   0.074538  -0.036505
-    0SOL     H3    3  -0.061975  -0.072793  -0.004755
-    1SOL     O4    4  -0.154967  -0.218399  -0.066756
-    1SOL     H5    5  -0.162356  -0.232145  -0.161195
-    1SOL     H6    6  -0.244858  -0.224721  -0.034478
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/568/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.092681  -0.007980  -0.022558
-    0SOL     H3    3   0.046386  -0.030973  -0.077790
-    1SOL     O4    4  -0.281562   0.013153  -0.039172
-    1SOL     H5    5  -0.334434   0.089152  -0.014862
-    1SOL     H6    6  -0.344668  -0.049842  -0.073980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/569/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089313  -0.033054  -0.009643
-    0SOL     H3    3   0.049535  -0.074364   0.034329
-    1SOL     O4    4   0.104525   0.251343   0.004345
-    1SOL     H5    5   0.070153   0.162933  -0.008479
-    1SOL     H6    6   0.199575   0.241052  -0.000335
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/570/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.062306   0.062037   0.037838
-    0SOL     H3    3   0.046200  -0.036622   0.075410
-    1SOL     O4    4  -0.175895  -0.273299  -0.129824
-    1SOL     H5    5  -0.126493  -0.280180  -0.211522
-    1SOL     H6    6  -0.114552  -0.302031  -0.062194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/571/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020080  -0.089392   0.027716
-    0SOL     H3    3  -0.016999   0.000310  -0.094198
-    1SOL     O4    4  -0.042206  -0.254446   0.072118
-    1SOL     H5    5  -0.085522  -0.336858   0.049884
-    1SOL     H6    6   0.018458  -0.277446   0.142498
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/572/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073778  -0.035303  -0.049728
-    0SOL     H3    3   0.050623   0.049745  -0.064226
-    1SOL     O4    4   0.190247   0.153783  -0.134436
-    1SOL     H5    5   0.238029   0.105086  -0.201576
-    1SOL     H6    6   0.156504   0.230833  -0.180121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/573/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008239   0.088112   0.036479
-    0SOL     H3    3   0.026165   0.014049  -0.090996
-    1SOL     O4    4   0.113977  -0.238609   0.092931
-    1SOL     H5    5   0.175012  -0.274512   0.028526
-    1SOL     H6    6   0.101053  -0.147757   0.065705
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/574/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.031514  -0.023000  -0.087408
-    0SOL     H3    3   0.047150   0.082375  -0.012394
-    1SOL     O4    4  -0.120733  -0.157176  -0.215338
-    1SOL     H5    5  -0.097348  -0.248734  -0.230591
-    1SOL     H6    6  -0.215421  -0.158594  -0.201394
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/575/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063291  -0.029152  -0.065626
-    0SOL     H3    3  -0.025403  -0.046068   0.079967
-    1SOL     O4    4  -0.036498   0.263613   0.053583
-    1SOL     H5    5  -0.038939   0.319127  -0.024356
-    1SOL     H6    6   0.001637   0.181245   0.023194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/576/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.027167  -0.086430   0.030890
-    0SOL     H3    3  -0.051430  -0.017735  -0.078758
-    1SOL     O4    4  -0.181739   0.119957   0.158666
-    1SOL     H5    5  -0.217645   0.200610   0.121678
-    1SOL     H6    6  -0.105859   0.100095   0.103803
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/577/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001645   0.059836  -0.074695
-    0SOL     H3    3  -0.053458   0.044861   0.065514
-    1SOL     O4    4   0.035331   0.100997  -0.255829
-    1SOL     H5    5   0.073309   0.013134  -0.256268
-    1SOL     H6    6   0.110864   0.159792  -0.256241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/578/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024287   0.004519  -0.092477
-    0SOL     H3    3   0.092368  -0.025100  -0.000645
-    1SOL     O4    4  -0.177953  -0.074987   0.220802
-    1SOL     H5    5  -0.142153  -0.030215   0.144146
-    1SOL     H6    6  -0.155034  -0.166999   0.207732
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/579/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063813   0.068340  -0.020490
-    0SOL     H3    3  -0.081118   0.047525   0.017990
-    1SOL     O4    4   0.086221  -0.121042   0.243330
-    1SOL     H5    5   0.130581  -0.048193   0.286776
-    1SOL     H6    6   0.071672  -0.090345   0.153840
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057609   0.033816  -0.068557
-    0SOL     H3    3  -0.006974  -0.095165  -0.007573
-    1SOL     O4    4  -0.217064   0.024681  -0.158509
-    1SOL     H5    5  -0.254505  -0.059761  -0.133407
-    1SOL     H6    6  -0.190883   0.013122  -0.249851
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/581/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.036014  -0.076797   0.044356
-    0SOL     H3    3   0.082740   0.017096   0.044990
-    1SOL     O4    4   0.252501   0.039798   0.109738
-    1SOL     H5    5   0.278204  -0.047962   0.081454
-    1SOL     H6    6   0.218527   0.027458   0.198371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/582/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077131  -0.046512   0.032402
-    0SOL     H3    3   0.060174   0.001449   0.074426
-    1SOL     O4    4   0.159211  -0.031777   0.255001
-    1SOL     H5    5   0.172124   0.056840   0.288805
-    1SOL     H6    6   0.124342  -0.080975   0.329338
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/583/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014120   0.086549   0.038368
-    0SOL     H3    3  -0.000157  -0.059689   0.074830
-    1SOL     O4    4   0.025468  -0.133462   0.243544
-    1SOL     H5    5   0.063108  -0.208530   0.289482
-    1SOL     H6    6  -0.067402  -0.135285   0.266655
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/584/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078989   0.052073  -0.014541
-    0SOL     H3    3  -0.012256  -0.038470   0.086788
-    1SOL     O4    4  -0.048868  -0.104658   0.274576
-    1SOL     H5    5  -0.000468  -0.053520   0.339420
-    1SOL     H6    6   0.006273  -0.181199   0.258355
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/585/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094468   0.012256  -0.009379
-    0SOL     H3    3   0.029011   0.075429   0.051294
-    1SOL     O4    4   0.130167  -0.138572  -0.183760
-    1SOL     H5    5   0.078211  -0.097022  -0.114937
-    1SOL     H6    6   0.172980  -0.212326  -0.140291
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/586/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.036129  -0.069195  -0.055400
-    0SOL     H3    3  -0.015358  -0.030403   0.089455
-    1SOL     O4    4  -0.125304  -0.166207   0.312772
-    1SOL     H5    5  -0.184123  -0.181423   0.238805
-    1SOL     H6    6  -0.051418  -0.225028   0.297175
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/587/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017883  -0.048389  -0.080629
-    0SOL     H3    3  -0.052706  -0.044087   0.066639
-    1SOL     O4    4  -0.175725  -0.019001   0.230985
-    1SOL     H5    5  -0.249001  -0.080587   0.230978
-    1SOL     H6    6  -0.135911  -0.029083   0.317447
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/588/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052439  -0.080077  -0.000476
-    0SOL     H3    3  -0.053684  -0.005998  -0.079021
-    1SOL     O4    4   0.190612  -0.227716   0.002703
-    1SOL     H5    5   0.237401  -0.146982   0.024037
-    1SOL     H6    6   0.176657  -0.270417   0.087227
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/589/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086937  -0.020291   0.034533
-    0SOL     H3    3  -0.051525  -0.078893   0.016837
-    1SOL     O4    4  -0.098203   0.240854  -0.040606
-    1SOL     H5    5  -0.059144   0.155884  -0.020191
-    1SOL     H6    6  -0.087158   0.292194   0.039422
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/590/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.064054   0.067206   0.023297
-    0SOL     H3    3  -0.013607  -0.049266   0.080932
-    1SOL     O4    4   0.037878  -0.166852   0.252072
-    1SOL     H5    5   0.117410  -0.154762   0.303945
-    1SOL     H6    6  -0.030063  -0.120656   0.301187
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/591/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073987   0.037545  -0.047735
-    0SOL     H3    3  -0.006276   0.052572   0.079744
-    1SOL     O4    4   0.386139  -0.154683   0.281730
-    1SOL     H5    5   0.383383  -0.222401   0.214137
-    1SOL     H6    6   0.321039  -0.182442   0.346180
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/592/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051924   0.063030   0.049934
-    0SOL     H3    3  -0.018812   0.044511  -0.082627
-    1SOL     O4    4   0.130713  -0.276780  -0.002273
-    1SOL     H5    5   0.154216  -0.250093  -0.091142
-    1SOL     H6    6   0.067648  -0.210855   0.026694
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/593/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047861  -0.078575   0.026412
-    0SOL     H3    3   0.019223  -0.013657  -0.092770
-    1SOL     O4    4  -0.160810  -0.208567   0.049094
-    1SOL     H5    5  -0.114657  -0.279454   0.093896
-    1SOL     H6    6  -0.240713  -0.195856   0.100244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/594/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.088072  -0.035724  -0.011380
-    0SOL     H3    3   0.013960   0.092946   0.018124
-    1SOL     O4    4   0.302125  -0.054869   0.018211
-    1SOL     H5    5   0.290312  -0.146559  -0.006604
-    1SOL     H6    6   0.302879  -0.055816   0.113923
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/595/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077102   0.056653  -0.002839
-    0SOL     H3    3  -0.005570  -0.037375  -0.087945
-    1SOL     O4    4  -0.170556   0.186570   0.081980
-    1SOL     H5    5  -0.127321   0.107613   0.049441
-    1SOL     H6    6  -0.236408   0.154260   0.143478
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/596/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087643   0.029568  -0.024635
-    0SOL     H3    3  -0.010922  -0.037126   0.087548
-    1SOL     O4    4  -0.220790   0.104918  -0.146324
-    1SOL     H5    5  -0.300720   0.069279  -0.107549
-    1SOL     H6    6  -0.202425   0.047386  -0.220588
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/597/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.054699  -0.048751  -0.061593
-    0SOL     H3    3   0.053294   0.006831   0.079218
-    1SOL     O4    4   0.117847   0.054292   0.240481
-    1SOL     H5    5   0.140796   0.145588   0.257823
-    1SOL     H6    6   0.201668   0.011268   0.223591
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/598/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084093  -0.011322  -0.044301
-    0SOL     H3    3  -0.002404  -0.062563   0.072405
-    1SOL     O4    4  -0.194410  -0.057555  -0.161035
-    1SOL     H5    5  -0.205386  -0.015611  -0.246373
-    1SOL     H6    6  -0.283709  -0.072941  -0.130194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/599/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.034102   0.076430  -0.046452
-    0SOL     H3    3   0.008123   0.022631   0.092651
-    1SOL     O4    4   0.121077  -0.018995   0.286958
-    1SOL     H5    5   0.091800   0.072134   0.287759
-    1SOL     H6    6   0.080867  -0.057803   0.364672
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/000/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071856  -0.054827  -0.031511
-    0SOL     H3    3  -0.014940   0.085125  -0.041144
-    1SOL     O4    4   0.286367  -0.060441  -0.010420
-    1SOL     H5    5   0.192025  -0.044352  -0.008696
-    1SOL     H6    6   0.324596   0.016406   0.031953
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/001/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.065894   0.066405   0.020267
-    0SOL     H3    3   0.023940  -0.074976   0.054477
-    1SOL     O4    4  -0.236790   0.104512   0.046088
-    1SOL     H5    5  -0.153601   0.057165   0.046279
-    1SOL     H6    6  -0.303363   0.036035   0.039663
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080998  -0.045784   0.022483
-    0SOL     H3    3  -0.006872  -0.008674  -0.095078
-    1SOL     O4    4  -0.161845  -0.274053  -0.078817
-    1SOL     H5    5  -0.235865  -0.332859  -0.093826
-    1SOL     H6    6  -0.193406  -0.188124  -0.106788
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/003/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078377  -0.054636   0.005853
-    0SOL     H3    3  -0.031868   0.084307  -0.032235
-    1SOL     O4    4  -0.220614  -0.154978  -0.032644
-    1SOL     H5    5  -0.210808  -0.249493  -0.021106
-    1SOL     H6    6  -0.297677  -0.132314   0.019415
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/004/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094878  -0.012630   0.001000
-    0SOL     H3    3  -0.033640  -0.074737  -0.049447
-    1SOL     O4    4   0.250439  -0.101366  -0.026246
-    1SOL     H5    5   0.332178  -0.053201  -0.013547
-    1SOL     H6    6   0.266730  -0.187085   0.013114
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/005/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077163   0.055209  -0.012659
-    0SOL     H3    3   0.030500  -0.071400   0.055983
-    1SOL     O4    4   0.196008   0.185428   0.011601
-    1SOL     H5    5   0.180127   0.279677   0.006380
-    1SOL     H6    6   0.283695   0.173804  -0.024981
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/006/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079503  -0.053252   0.002413
-    0SOL     H3    3  -0.027642   0.082608  -0.039676
-    1SOL     O4    4  -0.213276  -0.177831  -0.014811
-    1SOL     H5    5  -0.206620  -0.272153   0.000067
-    1SOL     H6    6  -0.295673  -0.152708   0.026923
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/007/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083304  -0.047120   0.001606
-    0SOL     H3    3  -0.064137  -0.065571  -0.027372
-    1SOL     O4    4  -0.141170  -0.221898  -0.141277
-    1SOL     H5    5  -0.221293  -0.269377  -0.119176
-    1SOL     H6    6  -0.156688  -0.188446  -0.229608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/008/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068991  -0.065604  -0.009931
-    0SOL     H3    3  -0.037965   0.080331  -0.035608
-    1SOL     O4    4  -0.104566   0.218577  -0.157065
-    1SOL     H5    5  -0.111842   0.306506  -0.119945
-    1SOL     H6    6  -0.070447   0.232566  -0.245397
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/009/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075260   0.059049   0.003381
-    0SOL     H3    3   0.030205  -0.079877   0.043240
-    1SOL     O4    4  -0.271637   0.063548   0.015131
-    1SOL     H5    5  -0.182380   0.033052  -0.001163
-    1SOL     H6    6  -0.325788   0.012586  -0.045143
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/010/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088619  -0.032882  -0.015092
-    0SOL     H3    3   0.002152   0.084594  -0.044738
-    1SOL     O4    4   0.069209   0.020295   0.266772
-    1SOL     H5    5  -0.005247  -0.029573   0.300416
-    1SOL     H6    6   0.055994   0.022144   0.171987
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/011/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.070011   0.065180  -0.003523
-    0SOL     H3    3   0.038501  -0.074067   0.046842
-    1SOL     O4    4   0.099323  -0.220098   0.132922
-    1SOL     H5    5   0.072043  -0.305900   0.100426
-    1SOL     H6    6   0.082908  -0.223794   0.227152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/012/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075282  -0.057194   0.014958
-    0SOL     H3    3   0.012752  -0.001428  -0.094856
-    1SOL     O4    4  -0.104135  -0.024105   0.339038
-    1SOL     H5    5  -0.185894  -0.073806   0.341772
-    1SOL     H6    6  -0.130595   0.064229   0.313362
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/013/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053387   0.078491   0.012302
-    0SOL     H3    3   0.044778  -0.067679   0.050762
-    1SOL     O4    4   0.169602   0.104126   0.322683
-    1SOL     H5    5   0.178433   0.192600   0.358131
-    1SOL     H6    6   0.178995   0.115134   0.228063
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/014/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082905  -0.032949   0.034689
-    0SOL     H3    3  -0.021211   0.030051  -0.088370
-    1SOL     O4    4   0.205382  -0.149027   0.053474
-    1SOL     H5    5   0.134788  -0.104269   0.006832
-    1SOL     H6    6   0.195053  -0.121665   0.144616
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/015/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.086762   0.038658  -0.011843
-    0SOL     H3    3   0.056167   0.073848   0.023538
-    1SOL     O4    4  -0.257408   0.092136   0.023435
-    1SOL     H5    5  -0.324372   0.024252   0.015076
-    1SOL     H6    6  -0.292645   0.166715  -0.025131
-  3.000000   3.000000   3.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    1SOL     O4    4  -0.262229   0.097939   0.025881
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-    1SOL     H6    6  -0.321337   0.026109   0.003321
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-    6
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-    1SOL     O4    4  -0.244041  -0.089138   0.076466
-    1SOL     H5    5  -0.162987  -0.039863   0.063642
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-    6
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-    0SOL     H2    2  -0.077444  -0.045194   0.033500
-    0SOL     H3    3  -0.016329   0.009234  -0.093864
-    1SOL     O4    4   0.215491  -0.164570   0.068411
-    1SOL     H5    5   0.147439  -0.123478   0.015095
-    1SOL     H6    6   0.197672  -0.134406   0.157489
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-    6
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-    0SOL     H2    2  -0.088422  -0.032234   0.017458
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-    1SOL     O4    4   0.150638   0.167833   0.170051
-    1SOL     H5    5   0.234578   0.122260   0.176321
-    1SOL     H6    6   0.103003   0.121065   0.101450
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-    6
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-    0SOL     H2    2   0.087338   0.025804   0.029471
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-    1SOL     H5    5  -0.191530   0.053800  -0.006067
-    1SOL     H6    6  -0.322302  -0.008495  -0.050077
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.004057   0.020986   0.093303
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-    1SOL     H5    5  -0.053749   0.264761  -0.122781
-    1SOL     H6    6  -0.121431   0.131811  -0.097047
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.086344  -0.035233   0.021579
-    0SOL     H3    3  -0.004190   0.017938  -0.093931
-    1SOL     O4    4   0.224316  -0.141372   0.085188
-    1SOL     H5    5   0.146751  -0.088453   0.066599
-    1SOL     H6    6   0.231687  -0.140455   0.180619
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-    6
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-    0SOL     H2    2   0.017350  -0.091197   0.023334
-    0SOL     H3    3  -0.084702   0.019351   0.040167
-    1SOL     O4    4   0.048067  -0.263393   0.054466
-    1SOL     H5    5   0.133000  -0.302386   0.033769
-    1SOL     H6    6  -0.015900  -0.323802   0.016766
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.090552  -0.027974  -0.013423
-    0SOL     H3    3  -0.051088  -0.054562  -0.059794
-    1SOL     O4    4   0.258699  -0.090704  -0.075125
-    1SOL     H5    5   0.320523  -0.017680  -0.072377
-    1SOL     H6    6   0.291251  -0.152196  -0.009387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/062/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082125  -0.032269   0.037101
-    0SOL     H3    3  -0.014525  -0.000623  -0.094609
-    1SOL     O4    4   0.224334  -0.158498   0.051863
-    1SOL     H5    5   0.140877  -0.118674   0.027138
-    1SOL     H6    6   0.246091  -0.118353   0.135990
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-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/063/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078127  -0.055166  -0.003910
-    0SOL     H3    3  -0.029264   0.085350  -0.031957
-    1SOL     O4    4  -0.086236   0.264586   0.206751
-    1SOL     H5    5  -0.115625   0.354832   0.219169
-    1SOL     H6    6   0.004363   0.272735   0.176956
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-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/064/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085356   0.040998  -0.013992
-    0SOL     H3    3   0.052265   0.067538   0.043236
-    1SOL     O4    4   0.141319   0.183451   0.114924
-    1SOL     H5    5   0.220677   0.236763   0.110195
-    1SOL     H6    6   0.130566   0.164639   0.208159
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-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/065/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.041139  -0.085628  -0.011740
-    0SOL     H3    3  -0.011592   0.019651   0.092961
-    1SOL     O4    4   0.241652   0.115267  -0.058015
-    1SOL     H5    5   0.167066   0.063676  -0.027395
-    1SOL     H6    6   0.223333   0.131340  -0.150580
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/066/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017612  -0.093278  -0.012305
-    0SOL     H3    3  -0.006169   0.013314   0.094589
-    1SOL     O4    4   0.246658   0.112096  -0.056708
-    1SOL     H5    5   0.162930   0.083325  -0.020319
-    1SOL     H6    6   0.224284   0.148981  -0.142155
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007760   0.069712   0.065133
-    0SOL     H3    3   0.024074   0.045256  -0.080837
-    1SOL     O4    4  -0.172935   0.426162  -0.004562
-    1SOL     H5    5  -0.253465   0.378083   0.014559
-    1SOL     H6    6  -0.164507   0.421941  -0.099817
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/068/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081564  -0.039340   0.031016
-    0SOL     H3    3  -0.012308   0.009441  -0.094455
-    1SOL     O4    4  -0.252410  -0.107241   0.063163
-    1SOL     H5    5  -0.255115  -0.194924   0.024868
-    1SOL     H6    6  -0.270364  -0.121103   0.156157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/069/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068477   0.065471   0.013669
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-    1SOL     O4    4  -0.123431  -0.030195  -0.278685
-    1SOL     H5    5  -0.033430  -0.003423  -0.297270
-    1SOL     H6    6  -0.126746  -0.038715  -0.183403
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/070/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007910   0.095392   0.000214
-    0SOL     H3    3   0.077112  -0.017566  -0.053921
-    1SOL     O4    4   0.238651   0.204021   0.178081
-    1SOL     H5    5   0.273305   0.115181   0.186375
-    1SOL     H6    6   0.158196   0.203336   0.229934
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-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/071/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088832   0.027325  -0.022902
-    0SOL     H3    3   0.008769   0.022144   0.092710
-    1SOL     O4    4  -0.219625   0.159921   0.004418
-    1SOL     H5    5  -0.309664   0.128437   0.012417
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.066421   0.038398  -0.057238
-    0SOL     H3    3   0.044628  -0.012087   0.083813
-    1SOL     O4    4  -0.205191   0.195400  -0.023279
-    1SOL     H5    5  -0.137017   0.129970  -0.007997
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-  3.000000   3.000000   3.000000
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-    6
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-    0SOL     H2    2   0.069823  -0.044160   0.048341
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-    1SOL     O4    4   0.049482  -0.070687  -0.262117
-    1SOL     H5    5   0.134613  -0.114341  -0.259069
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-  3.000000   3.000000   3.000000
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-    6
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-    0SOL     H3    3  -0.043060  -0.055707  -0.064845
-    1SOL     O4    4   0.269517  -0.056288  -0.065110
-    1SOL     H5    5   0.327105   0.018836  -0.050887
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.035837   0.086656  -0.019202
-    0SOL     H3    3   0.083533  -0.002307  -0.046682
-    1SOL     O4    4  -0.032205   0.275091  -0.065296
-    1SOL     H5    5  -0.123244   0.293276  -0.041983
-    1SOL     H6    6   0.016850   0.349453  -0.030279
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083479  -0.045676   0.010355
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-    1SOL     O4    4  -0.038637   0.289602   0.019816
-    1SOL     H5    5  -0.019940   0.197214   0.003167
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-  3.000000   3.000000   3.000000
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-    6
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-    0SOL     H2    2   0.029899   0.075702   0.050374
-    0SOL     H3    3   0.038150   0.012417  -0.086906
-    1SOL     O4    4   0.145374  -0.223014   0.139103
-    1SOL     H5    5   0.066678  -0.276980   0.146649
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072572   0.051145  -0.035775
-    0SOL     H3    3  -0.011254   0.005495   0.094897
-    1SOL     O4    4  -0.036334   0.024834   0.257098
-    1SOL     H5    5  -0.124846   0.060723   0.263419
-    1SOL     H6    6   0.020527   0.095798   0.286986
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.019497   0.093706   0.001184
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-    1SOL     O4    4  -0.208894  -0.160684  -0.003879
-    1SOL     H5    5  -0.133158  -0.102149  -0.003841
-    1SOL     H6    6  -0.172895  -0.246519   0.018455
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002064  -0.083807  -0.046201
-    0SOL     H3    3  -0.000692  -0.023697   0.092738
-    1SOL     O4    4  -0.037770  -0.271913  -0.036382
-    1SOL     H5    5   0.027853  -0.329424   0.002966
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075429   0.058734  -0.004802
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-    1SOL     O4    4   0.136276  -0.229998   0.131999
-    1SOL     H5    5   0.124717  -0.320458   0.102918
-    1SOL     H6    6   0.112447  -0.231359   0.224696
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019890  -0.090176   0.025199
-    0SOL     H3    3  -0.082617   0.019600   0.044189
-    1SOL     O4    4  -0.244972   0.032440   0.152461
-    1SOL     H5    5  -0.317940   0.076287   0.108696
-    1SOL     H6    6  -0.259699   0.048564   0.245656
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069212   0.048799  -0.044616
-    0SOL     H3    3  -0.017693   0.013013   0.093166
-    1SOL     O4    4  -0.206738   0.181728  -0.024135
-    1SOL     H5    5  -0.285726   0.141739   0.012254
-    1SOL     H6    6  -0.229901   0.202568  -0.114642
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000928  -0.090479  -0.031224
-    0SOL     H3    3  -0.074290   0.040173  -0.045049
-    1SOL     O4    4   0.260374   0.083822  -0.062919
-    1SOL     H5    5   0.227533   0.130268  -0.139903
-    1SOL     H6    6   0.181823   0.049754  -0.020124
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072396   0.048447  -0.039673
-    0SOL     H3    3  -0.012360   0.011291   0.094245
-    1SOL     O4    4  -0.020299  -0.267768  -0.030207
-    1SOL     H5    5  -0.025667  -0.174540  -0.009181
-    1SOL     H6    6  -0.016754  -0.270641  -0.125818
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007085  -0.090622  -0.029997
-    0SOL     H3    3  -0.026604  -0.007077   0.091676
-    1SOL     O4    4   0.266607   0.071929  -0.053406
-    1SOL     H5    5   0.178628   0.050157  -0.022618
-    1SOL     H6    6   0.253586   0.103719  -0.142748
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077775  -0.052651   0.018475
-    0SOL     H3    3  -0.013756  -0.009753  -0.094223
-    1SOL     O4    4  -0.244657   0.010338   0.136983
-    1SOL     H5    5  -0.274994   0.100068   0.150787
-    1SOL     H6    6  -0.157511   0.020104   0.098611
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066670   0.053951  -0.042506
-    0SOL     H3    3  -0.010409   0.018149   0.093406
-    1SOL     O4    4  -0.233933   0.193650  -0.026724
-    1SOL     H5    5  -0.298784   0.124395  -0.014057
-    1SOL     H6    6  -0.223362   0.199553  -0.121675
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082344  -0.034407   0.034612
-    0SOL     H3    3  -0.004083  -0.033219  -0.089678
-    1SOL     O4    4  -0.219517   0.015048   0.146539
-    1SOL     H5    5  -0.255688   0.103393   0.153545
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-    6
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-    1SOL     O4    4   0.220895  -0.009372  -0.145968
-    1SOL     H5    5   0.286447  -0.075030  -0.122425
-    1SOL     H6    6   0.213743  -0.015677  -0.241211
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-    6
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-    0SOL     H3    3   0.020912  -0.066252   0.065846
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-    1SOL     H5    5  -0.011526  -0.002500  -0.290933
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-    6
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-    0SOL     H3    3  -0.059272  -0.070262  -0.026691
-    1SOL     O4    4  -0.113124  -0.227979  -0.134805
-    1SOL     H5    5  -0.196604  -0.261961  -0.102576
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-    6
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-    1SOL     O4    4  -0.162650  -0.209100  -0.177494
-    1SOL     H5    5  -0.250357  -0.239259  -0.153824
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-    6
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-    0SOL     H3    3   0.061775  -0.059591   0.042369
-    1SOL     O4    4   0.223040  -0.157512   0.040135
-    1SOL     H5    5   0.297261  -0.113591  -0.001392
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-    6
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-    0SOL     H3    3   0.057093   0.059555   0.048538
-    1SOL     O4    4   0.320260  -0.023754  -0.079165
-    1SOL     H5    5   0.323571  -0.119150  -0.086299
-    1SOL     H6    6   0.305549  -0.007147   0.013949
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-    6
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-    0SOL     H2    2   0.063957  -0.059479   0.039168
-    0SOL     H3    3  -0.003263  -0.025589  -0.092178
-    1SOL     O4    4   0.006111   0.200447  -0.257897
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-    1SOL     H6    6  -0.086405   0.209460  -0.235053
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066157   0.047097  -0.050670
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-    1SOL     O4    4  -0.051732   0.076037   0.257633
-    1SOL     H5    5  -0.142046   0.107124   0.263898
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-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/098/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2   0.073866  -0.056194   0.023419
-    0SOL     H3    3  -0.030541  -0.034272  -0.083994
-    1SOL     O4    4   0.202520  -0.215760   0.026840
-    1SOL     H5    5   0.281211  -0.173565  -0.007651
-    1SOL     H6    6   0.227691  -0.245743   0.114189
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018838   0.087236  -0.034603
-    0SOL     H3    3   0.076131  -0.029670  -0.049861
-    1SOL     O4    4  -0.033769   0.251352  -0.040996
-    1SOL     H5    5  -0.122446   0.267733  -0.008896
-    1SOL     H6    6   0.021650   0.309816   0.010704
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079367   0.019214   0.049940
-    0SOL     H3    3   0.000814  -0.095381  -0.008008
-    1SOL     O4    4   0.004784   0.070249  -0.289198
-    1SOL     H5    5   0.022419  -0.018998  -0.318968
-    1SOL     H6    6   0.001684   0.063542  -0.193764
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083207  -0.032422   0.034463
-    0SOL     H3    3  -0.001276  -0.029280  -0.091123
-    1SOL     O4    4   0.021942  -0.046636  -0.256007
-    1SOL     H5    5   0.110243  -0.083389  -0.252205
-    1SOL     H6    6  -0.030124  -0.113786  -0.300079
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001497   0.081989   0.049375
-    0SOL     H3    3   0.025585   0.024985  -0.088789
-    1SOL     O4    4   0.029852   0.267524   0.065517
-    1SOL     H5    5  -0.052841   0.302547   0.032388
-    1SOL     H6    6   0.033692   0.297054   0.156487
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.062989   0.054239  -0.047465
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-    1SOL     O4    4   0.033625   0.010157   0.282960
-    1SOL     H5    5   0.108218   0.066454   0.303668
-    1SOL     H6    6   0.054982  -0.073868   0.323532
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087560  -0.035404   0.015557
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-    1SOL     O4    4   0.305757   0.101735  -0.189991
-    1SOL     H5    5   0.303946   0.079313  -0.096952
-    1SOL     H6    6   0.391275   0.142670  -0.203152
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011134  -0.095043  -0.002289
-    0SOL     H3    3  -0.090430   0.012887   0.028611
-    1SOL     O4    4   0.039999  -0.283865   0.045289
-    1SOL     H5    5   0.120417  -0.334623   0.034388
-    1SOL     H6    6  -0.028482  -0.338964   0.007384
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022677  -0.092828   0.005573
-    0SOL     H3    3  -0.076358   0.009511   0.056933
-    1SOL     O4    4  -0.236604   0.023613   0.152376
-    1SOL     H5    5  -0.318755   0.065519   0.126736
-    1SOL     H6    6  -0.221927   0.052649   0.242398
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090746   0.029892   0.005834
-    0SOL     H3    3   0.049977   0.065311   0.048980
-    1SOL     O4    4  -0.168416   0.114937   0.299421
-    1SOL     H5    5  -0.254322   0.089968   0.333466
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-    6
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-    1SOL     O4    4  -0.065567   0.280651  -0.007945
-    1SOL     H5    5  -0.149783   0.282998   0.037490
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-    6
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-    1SOL     H5    5   0.218711   0.237794   0.135864
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-    6
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-    0SOL     H2    2   0.016734  -0.094246   0.000153
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-    1SOL     O4    4   0.026004  -0.165671  -0.288385
-    1SOL     H5    5   0.089243  -0.222320  -0.244181
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-    6
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-    6
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-    1SOL     H5    5   0.141139   0.066099   0.285366
-    1SOL     H6    6   0.097276  -0.070383   0.334024
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-    6
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-    1SOL     H5    5  -0.018301   0.000876  -0.302904
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.009212   0.093134  -0.020087
-    1SOL     O4    4  -0.063119   0.255918  -0.060083
-    1SOL     H5    5  -0.157434   0.270422  -0.052548
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.092454  -0.002114   0.024699
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-    1SOL     H5    5   0.114118  -0.290986   0.038494
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-    6
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-    0SOL     H3    3  -0.046389  -0.069658  -0.046456
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-    1SOL     H5    5  -0.244676  -0.278842  -0.123969
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-  3.000000   3.000000   3.000000
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-    6
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-    1SOL     H5    5  -0.011896  -0.172774   0.262573
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.080887  -0.035394   0.036971
-    1SOL     O4    4  -0.249840  -0.080990   0.047878
-    1SOL     H5    5  -0.252039  -0.169192   0.010758
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.079058  -0.012039  -0.052605
-    1SOL     O4    4  -0.226520  -0.145958   0.011524
-    1SOL     H5    5  -0.141957  -0.101121   0.010438
-    1SOL     H6    6  -0.207365  -0.232441   0.047801
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079955   0.037817  -0.036596
-    0SOL     H3    3   0.003259   0.033029   0.089782
-    1SOL     O4    4  -0.037367  -0.258015  -0.040360
-    1SOL     H5    5  -0.033246  -0.165970  -0.014418
-    1SOL     H6    6  -0.012241  -0.258065  -0.132724
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009634   0.090778   0.028789
-    0SOL     H3    3   0.020830   0.002106  -0.093402
-    1SOL     O4    4   0.023364   0.078217  -0.259473
-    1SOL     H5    5  -0.000540   0.170636  -0.252423
-    1SOL     H6    6   0.100168   0.077584  -0.316597
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022051  -0.091236   0.018764
-    0SOL     H3    3  -0.078335   0.017004   0.052314
-    1SOL     O4    4  -0.243006   0.006473   0.167403
-    1SOL     H5    5  -0.321034   0.055990   0.142465
-    1SOL     H6    6  -0.233545   0.022295   0.261331
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085535   0.014450   0.040463
-    0SOL     H3    3   0.002747  -0.094092  -0.017362
-    1SOL     O4    4   0.046925  -0.276575   0.017956
-    1SOL     H5    5   0.138976  -0.297448   0.002042
-    1SOL     H6    6  -0.001405  -0.335512  -0.039948
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020096  -0.086318  -0.036163
-    0SOL     H3    3  -0.016879  -0.008760   0.093812
-    1SOL     O4    4  -0.054368  -0.265579  -0.054964
-    1SOL     H5    5   0.021870  -0.321541  -0.040187
-    1SOL     H6    6  -0.066251  -0.265798  -0.149943
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024002   0.075775   0.053333
-    0SOL     H3    3   0.035370   0.019552  -0.086770
-    1SOL     O4    4   0.053747   0.279547   0.047300
-    1SOL     H5    5  -0.029538   0.317942   0.019881
-    1SOL     H6    6   0.067178   0.312347   0.136216
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082242  -0.038085   0.030791
-    0SOL     H3    3  -0.002446  -0.020527  -0.093461
-    1SOL     O4    4   0.040516  -0.052760  -0.265316
-    1SOL     H5    5   0.129918  -0.086438  -0.271255
-    1SOL     H6    6  -0.009759  -0.107349  -0.325771
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-    6
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-    0SOL     H2    2   0.090334   0.021000  -0.023687
-    0SOL     H3    3   0.004477  -0.024353   0.092462
-    1SOL     O4    4   0.274639   0.063362  -0.038238
-    1SOL     H5    5   0.270518   0.154000  -0.007743
-    1SOL     H6    6   0.284209   0.070408  -0.133217
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074735  -0.034024   0.049188
-    0SOL     H3    3  -0.029446   0.000528  -0.091077
-    1SOL     O4    4  -0.272475  -0.067946   0.081253
-    1SOL     H5    5  -0.287919  -0.157275   0.050526
-    1SOL     H6    6  -0.291139  -0.071276   0.175077
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076050   0.058081  -0.002304
-    0SOL     H3    3   0.023678  -0.068056   0.063009
-    1SOL     O4    4   0.146471  -0.213145   0.133235
-    1SOL     H5    5   0.130214  -0.242277   0.222953
-    1SOL     H6    6   0.117130  -0.286082   0.078631
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/130/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002613  -0.091086  -0.029307
-    0SOL     H3    3  -0.008317  -0.005646   0.095191
-    1SOL     O4    4  -0.328889   0.028051   0.027272
-    1SOL     H5    5  -0.421592   0.051876   0.028297
-    1SOL     H6    6  -0.286636   0.093657   0.082705
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091270  -0.028499   0.004461
-    0SOL     H3    3  -0.044859  -0.070392  -0.046851
-    1SOL     O4    4  -0.331692  -0.027039   0.049307
-    1SOL     H5    5  -0.311673   0.062372   0.077009
-    1SOL     H6    6  -0.324090  -0.024878  -0.046086
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088474   0.036066   0.005825
-    0SOL     H3    3   0.052711   0.056486   0.056509
-    1SOL     O4    4   0.037976  -0.093937  -0.285743
-    1SOL     H5    5  -0.035934  -0.045589  -0.322649
-    1SOL     H6    6   0.048985  -0.057561  -0.197892
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081306   0.033906   0.037443
-    0SOL     H3    3   0.067768   0.059668   0.031774
-    1SOL     O4    4   0.270678  -0.090926   0.238824
-    1SOL     H5    5   0.287074  -0.185173   0.242141
-    1SOL     H6    6   0.182676  -0.080587   0.275033
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/134/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083767  -0.045966   0.005702
-    0SOL     H3    3  -0.024584  -0.006276  -0.092296
-    1SOL     O4    4   0.042934   0.270671   0.039960
-    1SOL     H5    5   0.030795   0.180825   0.009258
-    1SOL     H6    6   0.019682   0.267666   0.132765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/135/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076281  -0.048867   0.030912
-    0SOL     H3    3  -0.003134  -0.017392  -0.094075
-    1SOL     O4    4  -0.227497   0.011700   0.145703
-    1SOL     H5    5  -0.264363   0.098214   0.127857
-    1SOL     H6    6  -0.145293   0.010067   0.096692
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/136/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006529   0.095491  -0.001040
-    0SOL     H3    3   0.086393  -0.018550  -0.036803
-    1SOL     O4    4  -0.018834   0.276339  -0.038045
-    1SOL     H5    5  -0.106164   0.308979  -0.016354
-    1SOL     H6    6   0.040963   0.336262   0.006629
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/137/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016320   0.092938   0.016080
-    0SOL     H3    3   0.019283  -0.012016  -0.092984
-    1SOL     O4    4   0.073290   0.087012  -0.258702
-    1SOL     H5    5   0.165428   0.093835  -0.283727
-    1SOL     H6    6   0.040539   0.176853  -0.262994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/138/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016017   0.086925  -0.036739
-    0SOL     H3    3  -0.080474  -0.048724  -0.017672
-    1SOL     O4    4  -0.215346  -0.166975  -0.035446
-    1SOL     H5    5  -0.181954  -0.256667  -0.033764
-    1SOL     H6    6  -0.226153  -0.147130  -0.128460
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/139/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077054   0.049108  -0.028521
-    0SOL     H3    3   0.035552  -0.079557   0.039612
-    1SOL     O4    4   0.176232   0.109260   0.244831
-    1SOL     H5    5   0.166585   0.198607   0.277792
-    1SOL     H6    6   0.205258   0.120094   0.154263
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/140/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082613   0.044057   0.019908
-    0SOL     H3    3   0.066353   0.051579   0.045817
-    1SOL     O4    4   0.146129   0.211595   0.148992
-    1SOL     H5    5   0.232618   0.234190   0.114766
-    1SOL     H6    6   0.157851   0.208904   0.243954
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/141/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086325   0.037341  -0.017773
-    0SOL     H3    3   0.003380  -0.025440   0.092215
-    1SOL     O4    4   0.253656   0.093315  -0.002216
-    1SOL     H5    5   0.266580   0.181752   0.032052
-    1SOL     H6    6   0.275914   0.100066  -0.095067
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/142/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.030291   0.089170  -0.017132
-    0SOL     H3    3   0.082592  -0.006906  -0.047887
-    1SOL     O4    4  -0.041282  -0.085994   0.268123
-    1SOL     H5    5  -0.020930   0.005501   0.287536
-    1SOL     H6    6  -0.004259  -0.100875   0.181116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/143/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071632  -0.063383   0.003706
-    0SOL     H3    3  -0.036053   0.074144  -0.048634
-    1SOL     O4    4  -0.092268   0.216362  -0.138634
-    1SOL     H5    5  -0.099450   0.311115  -0.127119
-    1SOL     H6    6  -0.087484   0.204000  -0.233431
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/144/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091300   0.028749  -0.000318
-    0SOL     H3    3   0.047044   0.069996   0.045274
-    1SOL     O4    4   0.022641  -0.278168   0.023959
-    1SOL     H5    5  -0.005974  -0.186911   0.027928
-    1SOL     H6    6   0.105960  -0.275169  -0.023065
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093679  -0.015110  -0.012576
-    0SOL     H3    3  -0.042330  -0.056905  -0.064283
-    1SOL     O4    4  -0.145218  -0.191247  -0.150129
-    1SOL     H5    5  -0.218666  -0.226765  -0.100067
-    1SOL     H6    6  -0.182779  -0.168948  -0.235301
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/146/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.059011   0.058532  -0.047476
-    0SOL     H3    3   0.003122   0.035846   0.088700
-    1SOL     O4    4  -0.035686   0.063757   0.272132
-    1SOL     H5    5  -0.130598   0.072255   0.263078
-    1SOL     H6    6  -0.007114   0.148615   0.305971
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094572   0.013988  -0.004782
-    0SOL     H3    3   0.033890   0.079181   0.041762
-    1SOL     O4    4  -0.189038   0.080531   0.321901
-    1SOL     H5    5  -0.269980   0.039103   0.351810
-    1SOL     H6    6  -0.188213   0.165784   0.365415
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017073   0.076833   0.054475
-    0SOL     H3    3   0.013331   0.030718  -0.089672
-    1SOL     O4    4  -0.265974  -0.124412   0.016611
-    1SOL     H5    5  -0.192715  -0.064576   0.001945
-    1SOL     H6    6  -0.251842  -0.158454   0.104949
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094846   0.007065   0.010804
-    0SOL     H3    3   0.034907   0.078263   0.042646
-    1SOL     O4    4   0.321636  -0.010552  -0.053047
-    1SOL     H5    5   0.314016  -0.102990  -0.076699
-    1SOL     H6    6   0.292834  -0.006663   0.038154
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.015836  -0.088323  -0.033326
-    0SOL     H3    3   0.001281  -0.010132   0.095174
-    1SOL     O4    4  -0.278487  -0.037794  -0.186698
-    1SOL     H5    5  -0.327588   0.027568  -0.236490
-    1SOL     H6    6  -0.287867  -0.010468  -0.095442
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069009  -0.015060  -0.064601
-    0SOL     H3    3  -0.017968   0.093856  -0.005515
-    1SOL     O4    4  -0.072790   0.258859  -0.012382
-    1SOL     H5    5  -0.162591   0.291142  -0.019871
-    1SOL     H6    6  -0.020484   0.337174   0.004738
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067420  -0.063995   0.022837
-    0SOL     H3    3  -0.012624  -0.011033  -0.094240
-    1SOL     O4    4  -0.155784  -0.313343  -0.032933
-    1SOL     H5    5  -0.226250  -0.375520  -0.051119
-    1SOL     H6    6  -0.178847  -0.235451  -0.083562
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003026   0.075160   0.059196
-    0SOL     H3    3   0.034285   0.033357  -0.082911
-    1SOL     O4    4   0.039393   0.080216  -0.245904
-    1SOL     H5    5   0.015526   0.172811  -0.250253
-    1SOL     H6    6   0.121595   0.074308  -0.294589
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005163  -0.079975  -0.052341
-    0SOL     H3    3  -0.026075  -0.029958   0.087091
-    1SOL     O4    4   0.257278   0.094960  -0.041343
-    1SOL     H5    5   0.172171   0.061138  -0.013502
-    1SOL     H6    6   0.249630   0.103931  -0.136334
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094785  -0.010643   0.008055
-    0SOL     H3    3  -0.026843  -0.069071  -0.060589
-    1SOL     O4    4  -0.060642   0.069304   0.248268
-    1SOL     H5    5   0.002892   0.003287   0.275971
-    1SOL     H6    6  -0.067688   0.057565   0.153532
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/156/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087930  -0.037623   0.003900
-    0SOL     H3    3  -0.049769  -0.060913  -0.054543
-    1SOL     O4    4  -0.054077   0.067544   0.264545
-    1SOL     H5    5   0.020349   0.033261   0.314020
-    1SOL     H6    6  -0.046716   0.026317   0.178472
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010682   0.093034  -0.019820
-    0SOL     H3    3   0.016243  -0.044299  -0.083283
-    1SOL     O4    4   0.335136   0.019967  -0.091098
-    1SOL     H5    5   0.426360  -0.006954  -0.080336
-    1SOL     H6    6   0.296338  -0.048140  -0.146040
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075495  -0.045587   0.037210
-    0SOL     H3    3   0.020153   0.007641  -0.093262
-    1SOL     O4    4  -0.246042   0.015496   0.140657
-    1SOL     H5    5  -0.233023   0.108755   0.157848
-    1SOL     H6    6  -0.166497  -0.011815   0.094950
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065531  -0.069399   0.007203
-    0SOL     H3    3  -0.048612   0.075582  -0.032963
-    1SOL     O4    4   0.122807   0.287145   0.041573
-    1SOL     H5    5   0.205269   0.245688   0.066943
-    1SOL     H6    6   0.106557   0.255790  -0.047393
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/160/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.034269   0.085685  -0.025416
-    0SOL     H3    3   0.070416  -0.017191  -0.062517
-    1SOL     O4    4   0.248063   0.180394   0.122896
-    1SOL     H5    5   0.267526   0.090043   0.147802
-    1SOL     H6    6   0.169322   0.202559   0.172605
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006971  -0.087425  -0.038349
-    0SOL     H3    3  -0.019785  -0.012839   0.092769
-    1SOL     O4    4   0.251734   0.126076  -0.039633
-    1SOL     H5    5   0.175554   0.086270   0.002492
-    1SOL     H6    6   0.222672   0.144985  -0.128852
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/162/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088842   0.016043   0.031812
-    0SOL     H3    3   0.052444   0.069948   0.038976
-    1SOL     O4    4   0.042124  -0.081618  -0.259631
-    1SOL     H5    5  -0.035252  -0.037178  -0.294277
-    1SOL     H6    6   0.047887  -0.052364  -0.168674
-  3.000000   3.000000   3.000000
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-    6
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-    6
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-    6
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-    0SOL     H2    2   0.068461   0.063944  -0.019664
-    0SOL     H3    3   0.047574  -0.078607   0.026833
-    1SOL     O4    4   0.111318  -0.235544   0.118531
-    1SOL     H5    5   0.074987  -0.317764   0.085632
-    1SOL     H6    6   0.081738  -0.230914   0.209449
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081880  -0.040311   0.028862
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-    1SOL     O4    4   0.055779   0.190925   0.321746
-    1SOL     H5    5   0.068525   0.098705   0.344004
-    1SOL     H6    6  -0.027089   0.214454   0.363479
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-    6
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-    0SOL     H2    2  -0.082963  -0.044033   0.018453
-    0SOL     H3    3  -0.025283   0.082157  -0.042112
-    1SOL     O4    4   0.086224   0.009231  -0.315159
-    1SOL     H5    5   0.020502  -0.037041  -0.263182
-    1SOL     H6    6   0.057692  -0.002398  -0.405785
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087583  -0.028117   0.026475
-    0SOL     H3    3   0.000894  -0.005492  -0.095558
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-    1SOL     H5    5   0.137723  -0.063291  -0.252917
-    1SOL     H6    6   0.011274  -0.112449  -0.320095
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082133  -0.030118   0.038852
-    0SOL     H3    3   0.009938  -0.017374  -0.093604
-    1SOL     O4    4   0.040953  -0.067446  -0.258804
-    1SOL     H5    5   0.131410  -0.097868  -0.266178
-    1SOL     H6    6  -0.006589  -0.117165  -0.325362
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004738   0.094763  -0.012640
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-    1SOL     O4    4  -0.048078  -0.091990   0.266911
-    1SOL     H5    5  -0.018233  -0.010162   0.306608
-    1SOL     H6    6  -0.022431  -0.084815   0.174971
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089412   0.027559   0.020207
-    0SOL     H3    3   0.020441  -0.065773   0.066471
-    1SOL     O4    4  -0.243513   0.097234   0.002273
-    1SOL     H5    5  -0.288340   0.020027  -0.032253
-    1SOL     H6    6  -0.281936   0.170693  -0.045578
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080194  -0.033354   0.040233
-    0SOL     H3    3  -0.018332  -0.000376  -0.093947
-    1SOL     O4    4  -0.239748  -0.100803  -0.004112
-    1SOL     H5    5  -0.249567  -0.176033  -0.062476
-    1SOL     H6    6  -0.254556  -0.136328   0.083529
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074771  -0.052373   0.028786
-    0SOL     H3    3  -0.011875  -0.023652  -0.091989
-    1SOL     O4    4  -0.178566  -0.276602  -0.032816
-    1SOL     H5    5  -0.260016  -0.326868  -0.034042
-    1SOL     H6    6  -0.197542  -0.198871  -0.085353
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022200  -0.090845  -0.020412
-    0SOL     H3    3  -0.043780   0.017257   0.083353
-    1SOL     O4    4  -0.015772  -0.082083  -0.360710
-    1SOL     H5    5  -0.000621  -0.176589  -0.361834
-    1SOL     H6    6  -0.077164  -0.068476  -0.288542
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012522  -0.091288  -0.025922
-    0SOL     H3    3  -0.031957   0.003951   0.090141
-    1SOL     O4    4   0.240703   0.104882  -0.045056
-    1SOL     H5    5   0.166943   0.065509   0.001543
-    1SOL     H6    6   0.204842   0.129487  -0.130326
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016535   0.092533   0.018070
-    0SOL     H3    3  -0.014827  -0.003723  -0.094491
-    1SOL     O4    4   0.062049   0.278317   0.043017
-    1SOL     H5    5  -0.015778   0.330279   0.022890
-    1SOL     H6    6   0.058865   0.266091   0.137900
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094800   0.012924   0.002890
-    0SOL     H3    3   0.036554   0.087557   0.012646
-    1SOL     O4    4   0.042305  -0.083496   0.346682
-    1SOL     H5    5  -0.044553  -0.052634   0.320883
-    1SOL     H6    6   0.054212  -0.050094   0.435592
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012269  -0.094503   0.008999
-    0SOL     H3    3  -0.084976   0.017141   0.040591
-    1SOL     O4    4   0.052947  -0.251035   0.041147
-    1SOL     H5    5   0.145272  -0.274165   0.030976
-    1SOL     H6    6   0.005674  -0.332080   0.022193
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.041497  -0.060692   0.061293
-    0SOL     H3    3   0.026509   0.086773   0.030496
-    1SOL     O4    4   0.057763   0.068122  -0.262227
-    1SOL     H5    5   0.151217   0.059279  -0.280948
-    1SOL     H6    6   0.049743   0.046473  -0.169333
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002813   0.084442   0.044989
-    0SOL     H3    3  -0.003134   0.022262  -0.093042
-    1SOL     O4    4   0.030649   0.278540   0.064583
-    1SOL     H5    5  -0.029359   0.350144   0.043745
-    1SOL     H6    6   0.041124   0.282898   0.159629
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025080  -0.089248  -0.023837
-    0SOL     H3    3  -0.010700   0.003356   0.095061
-    1SOL     O4    4  -0.277080  -0.048186  -0.226568
-    1SOL     H5    5  -0.341235   0.009184  -0.268463
-    1SOL     H6    6  -0.281766  -0.025622  -0.133664
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.091869  -0.024619   0.010784
-    1SOL     O4    4  -0.067144   0.286797  -0.034992
-    1SOL     H5    5  -0.055439   0.192939  -0.020296
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.012168   0.059266   0.262196
-    1SOL     H5    5  -0.094548   0.062303   0.310844
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-    6
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-    0SOL     H3    3  -0.005723  -0.083480  -0.046482
-    1SOL     O4    4   0.250647   0.113849  -0.044666
-    1SOL     H5    5   0.174659   0.076118  -0.000343
-    1SOL     H6    6   0.216718   0.144115  -0.128898
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084724   0.042914  -0.011940
-    0SOL     H3    3   0.022533   0.016432   0.091567
-    1SOL     O4    4   0.222709  -0.024447  -0.180223
-    1SOL     H5    5   0.254600  -0.111983  -0.158251
-    1SOL     H6    6   0.137125  -0.018721  -0.137740
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.093928  -0.006169  -0.017371
-    1SOL     O4    4  -0.209206  -0.164668  -0.026125
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-    1SOL     H6    6  -0.195206  -0.235207   0.037046
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021333  -0.090300  -0.023517
-    0SOL     H3    3  -0.037701   0.011634   0.087210
-    1SOL     O4    4  -0.059393  -0.079048   0.276947
-    1SOL     H5    5  -0.021803  -0.166024   0.263367
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001388   0.092622   0.024116
-    0SOL     H3    3  -0.016943  -0.000019  -0.094209
-    1SOL     O4    4   0.297684  -0.030411  -0.072573
-    1SOL     H5    5   0.378261  -0.081517  -0.080180
-    1SOL     H6    6   0.231095  -0.084044  -0.115605
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078678   0.045227  -0.030440
-    0SOL     H3    3  -0.001811   0.010110   0.095167
-    1SOL     O4    4   0.100667   0.247357  -0.204158
-    1SOL     H5    5   0.180321   0.261463  -0.255330
-    1SOL     H6    6   0.132081   0.222684  -0.117171
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082227  -0.046610   0.015115
-    0SOL     H3    3  -0.060794  -0.067643  -0.029847
-    1SOL     O4    4  -0.033752   0.074284   0.265092
-    1SOL     H5    5   0.033278   0.019297   0.305659
-    1SOL     H6    6  -0.037209   0.044728   0.174115
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074765  -0.027052   0.053298
-    0SOL     H3    3   0.022498  -0.027822  -0.088781
-    1SOL     O4    4   0.001925   0.159848  -0.341873
-    1SOL     H5    5   0.017906   0.070327  -0.311993
-    1SOL     H6    6  -0.069487   0.191270  -0.286416
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013429   0.094773   0.000070
-    0SOL     H3    3   0.082300  -0.012542  -0.047241
-    1SOL     O4    4   0.221669   0.006685  -0.179078
-    1SOL     H5    5   0.298174  -0.026041  -0.131768
-    1SOL     H6    6   0.232443  -0.026691  -0.268142
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071850  -0.042958   0.046416
-    0SOL     H3    3   0.006701   0.092061   0.025341
-    1SOL     O4    4   0.026392   0.065541   0.343068
-    1SOL     H5    5   0.029695   0.029020   0.431485
-    1SOL     H6    6  -0.052912   0.028191   0.304622
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077392  -0.055091   0.011743
-    0SOL     H3    3  -0.035115   0.087452  -0.016776
-    1SOL     O4    4   0.108620   0.055042  -0.322021
-    1SOL     H5    5   0.043091   0.012579  -0.266656
-    1SOL     H6    6   0.076288   0.042677  -0.411263
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018600  -0.012455   0.093066
-    0SOL     H3    3  -0.011577  -0.086816  -0.038616
-    1SOL     O4    4  -0.038054  -0.087249   0.254398
-    1SOL     H5    5  -0.050281  -0.181430   0.242451
-    1SOL     H6    6  -0.126850  -0.052256   0.261693
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064244   0.066235  -0.025456
-    0SOL     H3    3   0.012764   0.013772   0.093860
-    1SOL     O4    4   0.234115  -0.017806  -0.173598
-    1SOL     H5    5   0.238515  -0.113419  -0.174634
-    1SOL     H6    6   0.155484   0.002051  -0.122754
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087540   0.001190   0.038699
-    0SOL     H3    3   0.028364  -0.091105   0.007603
-    1SOL     O4    4  -0.277901   0.095818  -0.191595
-    1SOL     H5    5  -0.373231   0.104385  -0.190480
-    1SOL     H6    6  -0.246204   0.174656  -0.147526
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065811   0.053746  -0.044075
-    0SOL     H3    3  -0.006352   0.025060   0.092163
-    1SOL     O4    4  -0.213596   0.161077  -0.044903
-    1SOL     H5    5  -0.290884   0.120196  -0.005946
-    1SOL     H6    6  -0.236030   0.171574  -0.137363
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082849   0.046016  -0.013450
-    0SOL     H3    3   0.009162  -0.041322   0.085854
-    1SOL     O4    4  -0.228199   0.187952  -0.024803
-    1SOL     H5    5  -0.155119   0.159458   0.030058
-    1SOL     H6    6  -0.201697   0.165035  -0.113880
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-    6
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-    0SOL     H2    2   0.039707  -0.076243   0.042102
-    0SOL     H3    3   0.061555   0.071385   0.016658
-    1SOL     O4    4  -0.057045   0.023194  -0.269184
-    1SOL     H5    5   0.021442   0.072782  -0.292487
-    1SOL     H6    6  -0.041629  -0.005187  -0.179078
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006086  -0.088080  -0.036976
-    0SOL     H3    3  -0.025009  -0.013988   0.091330
-    1SOL     O4    4   0.235511   0.114817  -0.065061
-    1SOL     H5    5   0.155211   0.069332  -0.039657
-    1SOL     H6    6   0.236577   0.110047  -0.160656
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081607   0.039066  -0.031249
-    0SOL     H3    3   0.002016   0.020230   0.093536
-    1SOL     O4    4  -0.049164   0.056871   0.266864
-    1SOL     H5    5  -0.010409   0.137696   0.300446
-    1SOL     H6    6  -0.143544   0.072610   0.269498
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/203/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025096   0.089294  -0.023645
-    0SOL     H3    3   0.082283  -0.014932  -0.046571
-    1SOL     O4    4   0.245029  -0.029970  -0.166371
-    1SOL     H5    5   0.251121  -0.068257  -0.253889
-    1SOL     H6    6   0.324508  -0.059248  -0.121782
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060173   0.061016   0.042645
-    0SOL     H3    3   0.016807  -0.084030   0.042647
-    1SOL     O4    4   0.212626   0.144450   0.103248
-    1SOL     H5    5   0.281119   0.107030   0.047833
-    1SOL     H6    6   0.217336   0.238648   0.086914
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/205/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071684  -0.049527   0.039632
-    0SOL     H3    3   0.009409  -0.015243  -0.094029
-    1SOL     O4    4   0.037996   0.258052   0.084992
-    1SOL     H5    5   0.057842   0.169950   0.053267
-    1SOL     H6    6   0.024671   0.247216   0.179158
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/206/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005713   0.090307  -0.031214
-    0SOL     H3    3   0.085015  -0.030884  -0.031319
-    1SOL     O4    4  -0.085761   0.255835  -0.052537
-    1SOL     H5    5  -0.174044   0.287160  -0.032858
-    1SOL     H6    6  -0.028021   0.325212  -0.020673
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005750  -0.093100   0.021485
-    0SOL     H3    3  -0.069048   0.033598   0.057148
-    1SOL     O4    4  -0.259935  -0.176629  -0.172611
-    1SOL     H5    5  -0.269835  -0.081425  -0.173265
-    1SOL     H6    6  -0.182966  -0.193128  -0.227071
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/208/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014676   0.088676   0.032917
-    0SOL     H3    3   0.029090   0.003112  -0.091139
-    1SOL     O4    4   0.037551   0.264935   0.054791
-    1SOL     H5    5  -0.033906   0.309357   0.009151
-    1SOL     H6    6   0.019818   0.280079   0.147627
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/209/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002823   0.089104   0.034854
-    0SOL     H3    3   0.018732   0.011266  -0.093191
-    1SOL     O4    4   0.015973   0.276244   0.065471
-    1SOL     H5    5  -0.067042   0.313410   0.035645
-    1SOL     H6    6   0.021421   0.300734   0.157844
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/210/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081220   0.006604   0.050219
-    0SOL     H3    3   0.060401   0.059752   0.044088
-    1SOL     O4    4  -0.237572  -0.019995   0.147926
-    1SOL     H5    5  -0.309753   0.029377   0.109010
-    1SOL     H6    6  -0.241749   0.000923   0.241239
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/211/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060746  -0.062463   0.039632
-    0SOL     H3    3  -0.022651  -0.038862  -0.084492
-    1SOL     O4    4   0.054866   0.286501   0.035951
-    1SOL     H5    5   0.034281   0.197961   0.005965
-    1SOL     H6    6   0.031489   0.286445   0.128773
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/212/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061794  -0.072735  -0.007311
-    0SOL     H3    3  -0.026554   0.061055  -0.068771
-    1SOL     O4    4  -0.212170  -0.227831  -0.024294
-    1SOL     H5    5  -0.211229  -0.323403  -0.019057
-    1SOL     H6    6  -0.291296  -0.201985   0.022965
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/213/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091554  -0.027637   0.004055
-    0SOL     H3    3  -0.043902  -0.069509  -0.049025
-    1SOL     O4    4  -0.008411   0.109465   0.280517
-    1SOL     H5    5   0.065634   0.055966   0.309109
-    1SOL     H6    6  -0.027362   0.078787   0.191849
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/214/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078369   0.022696  -0.050055
-    0SOL     H3    3   0.030127  -0.005190   0.090707
-    1SOL     O4    4  -0.145750  -0.203910  -0.114507
-    1SOL     H5    5  -0.223457  -0.154151  -0.139966
-    1SOL     H6    6  -0.082034  -0.137331  -0.088628
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/215/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015967  -0.092494  -0.018766
-    0SOL     H3    3  -0.027261   0.001516   0.091743
-    1SOL     O4    4   0.265940   0.093864  -0.001486
-    1SOL     H5    5   0.248753   0.118288  -0.092428
-    1SOL     H6    6   0.186013   0.049551   0.026979
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/216/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089501   0.031130   0.013517
-    0SOL     H3    3   0.055017   0.066217   0.041842
-    1SOL     O4    4   0.083819   0.200652   0.159384
-    1SOL     H5    5   0.165341   0.236012   0.123799
-    1SOL     H6    6   0.106831   0.171376   0.247564
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/217/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.047349  -0.058416   0.059228
-    0SOL     H3    3   0.010192  -0.039985  -0.086369
-    1SOL     O4    4   0.026894   0.270927   0.038795
-    1SOL     H5    5   0.006477   0.185169   0.001497
-    1SOL     H6    6  -0.006994   0.266887   0.128224
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071494  -0.063645   0.000480
-    0SOL     H3    3  -0.037334   0.077719  -0.041573
-    1SOL     O4    4   0.165189   0.277036   0.088873
-    1SOL     H5    5   0.234443   0.222774   0.126580
-    1SOL     H6    6   0.175884   0.267269  -0.005745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/219/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006476   0.084706   0.044106
-    0SOL     H3    3   0.018526   0.019317  -0.091902
-    1SOL     O4    4   0.070086   0.269091   0.057151
-    1SOL     H5    5   0.008862   0.328222   0.013362
-    1SOL     H6    6   0.052505   0.281144   0.150468
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/220/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004174  -0.084645  -0.044498
-    0SOL     H3    3  -0.019735  -0.019992   0.091505
-    1SOL     O4    4  -0.052212  -0.030117   0.259463
-    1SOL     H5    5  -0.140832  -0.007349   0.287577
-    1SOL     H6    6  -0.049673  -0.125731   0.263192
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063647   0.049164  -0.051907
-    0SOL     H3    3   0.032997   0.005261   0.089699
-    1SOL     O4    4  -0.187942  -0.181848  -0.095255
-    1SOL     H5    5  -0.271091  -0.140278  -0.118072
-    1SOL     H6    6  -0.131238  -0.109313  -0.069070
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090338  -0.016953   0.026719
-    0SOL     H3    3  -0.006145   0.021599  -0.093049
-    1SOL     O4    4  -0.267597  -0.088925   0.031959
-    1SOL     H5    5  -0.270994  -0.164770  -0.026337
-    1SOL     H6    6  -0.268113  -0.126334   0.120065
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074133  -0.041587   0.044013
-    0SOL     H3    3   0.007540  -0.027899  -0.091253
-    1SOL     O4    4  -0.145763  -0.271016  -0.079664
-    1SOL     H5    5  -0.222592  -0.327877  -0.074532
-    1SOL     H6    6  -0.178448  -0.189981  -0.118745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/224/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069073  -0.051523   0.041673
-    0SOL     H3    3   0.002738  -0.026180  -0.092029
-    1SOL     O4    4   0.194837  -0.180367   0.079764
-    1SOL     H5    5   0.266927  -0.128682   0.043791
-    1SOL     H6    6   0.213175  -0.185086   0.173592
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003850   0.090978   0.029505
-    0SOL     H3    3  -0.021252   0.004090  -0.093241
-    1SOL     O4    4   0.004454   0.266517   0.068161
-    1SOL     H5    5  -0.083670   0.302796   0.059200
-    1SOL     H6    6   0.031054   0.289784   0.157118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/226/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071446   0.063087  -0.008819
-    0SOL     H3    3   0.043051  -0.081603   0.025493
-    1SOL     O4    4  -0.054049  -0.027633  -0.275617
-    1SOL     H5    5   0.009780   0.037789  -0.304045
-    1SOL     H6    6  -0.037477  -0.038209  -0.181938
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022006   0.092319  -0.012458
-    0SOL     H3    3   0.084380  -0.010695  -0.043909
-    1SOL     O4    4  -0.033543  -0.029963   0.263024
-    1SOL     H5    5  -0.034995   0.062494   0.287761
-    1SOL     H6    6  -0.017581  -0.029307   0.168647
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.066787   0.063732   0.025298
-    0SOL     H3    3   0.033444  -0.083789   0.031988
-    1SOL     O4    4   0.199668   0.174885   0.058451
-    1SOL     H5    5   0.287422   0.153844   0.026531
-    1SOL     H6    6   0.186560   0.266494   0.033993
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093652   0.015931   0.011736
-    0SOL     H3    3   0.042072   0.053616   0.067213
-    1SOL     O4    4  -0.208537   0.047227  -0.298445
-    1SOL     H5    5  -0.275794  -0.012676  -0.266034
-    1SOL     H6    6  -0.239935   0.074117  -0.384777
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082087   0.047325  -0.013579
-    0SOL     H3    3  -0.001565  -0.018905   0.093822
-    1SOL     O4    4  -0.147389  -0.154627  -0.178469
-    1SOL     H5    5  -0.237551  -0.137784  -0.151093
-    1SOL     H6    6  -0.094310  -0.098118  -0.122329
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069591   0.048565  -0.044282
-    0SOL     H3    3  -0.014610   0.016670   0.093118
-    1SOL     O4    4  -0.034243  -0.255998  -0.064701
-    1SOL     H5    5  -0.012585  -0.167752  -0.034603
-    1SOL     H6    6  -0.020872  -0.253001  -0.159435
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083240  -0.028510  -0.037690
-    0SOL     H3    3  -0.066399  -0.048465  -0.049037
-    1SOL     O4    4  -0.001094   0.092363   0.252855
-    1SOL     H5    5   0.074316   0.046291   0.289638
-    1SOL     H6    6  -0.010228   0.056722   0.164488
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075945   0.057863  -0.006817
-    0SOL     H3    3   0.034520  -0.080445   0.038720
-    1SOL     O4    4   0.137102  -0.188328   0.150940
-    1SOL     H5    5   0.132622  -0.269245   0.100002
-    1SOL     H6    6   0.117101  -0.215266   0.240588
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/234/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.026577   0.091182   0.011911
-    0SOL     H3    3   0.089254   0.005286  -0.034179
-    1SOL     O4    4  -0.026778  -0.060728   0.247155
-    1SOL     H5    5  -0.036636   0.032802   0.264965
-    1SOL     H6    6  -0.004312  -0.065224   0.154217
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.035656  -0.055884   0.069050
-    0SOL     H3    3   0.057596   0.076444  -0.001141
-    1SOL     O4    4  -0.244607   0.085248   0.026330
-    1SOL     H5    5  -0.282589   0.083723  -0.061518
-    1SOL     H6    6  -0.153015   0.060682   0.013305
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/236/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069715   0.048111  -0.044581
-    0SOL     H3    3  -0.016074   0.015249   0.093120
-    1SOL     O4    4  -0.087216   0.045633   0.268977
-    1SOL     H5    5  -0.176998   0.078800   0.270128
-    1SOL     H6    6  -0.035319   0.115471   0.308874
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022947  -0.082389  -0.042986
-    0SOL     H3    3  -0.025827  -0.012565   0.091310
-    1SOL     O4    4  -0.053955  -0.281386  -0.031956
-    1SOL     H5    5   0.022140  -0.338905  -0.023990
-    1SOL     H6    6  -0.071767  -0.278030  -0.125944
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024245  -0.005158  -0.092455
-    0SOL     H3    3  -0.093227  -0.021646   0.001607
-    1SOL     O4    4   0.363400   0.007591  -0.062879
-    1SOL     H5    5   0.456954  -0.011956  -0.068158
-    1SOL     H6    6   0.320650  -0.069312  -0.100571
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.023908   0.090916  -0.018029
-    0SOL     H3    3   0.076479  -0.016113  -0.055259
-    1SOL     O4    4   0.207824  -0.010266  -0.185167
-    1SOL     H5    5   0.285776  -0.065776  -0.183052
-    1SOL     H6    6   0.190020   0.002563  -0.278338
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/240/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004355   0.095072   0.010236
-    0SOL     H3    3   0.083679  -0.015617  -0.043775
-    1SOL     O4    4   0.010592  -0.058552   0.292047
-    1SOL     H5    5   0.017840   0.032753   0.319852
-    1SOL     H6    6   0.028586  -0.056516   0.198055
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/241/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.050875   0.078476   0.020387
-    0SOL     H3    3   0.030934  -0.065564   0.062504
-    1SOL     O4    4  -0.035091   0.053260  -0.260186
-    1SOL     H5    5  -0.020827   0.044227  -0.165967
-    1SOL     H6    6   0.048776   0.084342  -0.294284
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/242/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075449   0.040632  -0.042648
-    0SOL     H3    3  -0.020527   0.003415   0.093431
-    1SOL     O4    4  -0.044690   0.034587   0.259305
-    1SOL     H5    5  -0.134880   0.060340   0.278406
-    1SOL     H6    6   0.008703   0.104786   0.296501
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/243/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.056373  -0.076150  -0.013621
-    0SOL     H3    3  -0.039404   0.068905  -0.053495
-    1SOL     O4    4  -0.240043  -0.117297  -0.047999
-    1SOL     H5    5  -0.232396  -0.211046  -0.030253
-    1SOL     H6    6  -0.266640  -0.079128   0.035655
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/244/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078652   0.054475   0.002942
-    0SOL     H3    3   0.070455   0.057995   0.028897
-    1SOL     O4    4   0.198069   0.204862  -0.162425
-    1SOL     H5    5   0.254315   0.130662  -0.140217
-    1SOL     H6    6   0.253119   0.281843  -0.148086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/245/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.021715   0.090572   0.022081
-    0SOL     H3    3   0.001432  -0.002380  -0.095680
-    1SOL     O4    4  -0.262551  -0.071948  -0.000068
-    1SOL     H5    5  -0.181164  -0.024824  -0.017891
-    1SOL     H6    6  -0.264491  -0.081321   0.095173
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/246/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016155  -0.055757   0.076109
-    0SOL     H3    3  -0.013098   0.087446   0.036660
-    1SOL     O4    4   0.011443   0.063410  -0.260244
-    1SOL     H5    5   0.089364   0.031696  -0.305903
-    1SOL     H6    6   0.018214   0.026006  -0.172395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/247/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028040   0.007450   0.091217
-    0SOL     H3    3   0.095525   0.004789   0.003790
-    1SOL     O4    4  -0.103742   0.220846  -0.147353
-    1SOL     H5    5  -0.073599   0.135907  -0.115118
-    1SOL     H6    6  -0.023904   0.272932  -0.156028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/248/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.014900  -0.088617  -0.032976
-    0SOL     H3    3  -0.031352  -0.002448   0.090407
-    1SOL     O4    4   0.282916   0.070235  -0.039813
-    1SOL     H5    5   0.256558   0.091522  -0.129337
-    1SOL     H6    6   0.202782   0.038635   0.001926
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/249/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086966  -0.038019   0.012401
-    0SOL     H3    3  -0.056224  -0.074783  -0.020216
-    1SOL     O4    4  -0.057851   0.101134   0.275285
-    1SOL     H5    5   0.002388   0.036444   0.312011
-    1SOL     H6    6  -0.063026   0.079033   0.182295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/250/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024508  -0.090691  -0.018352
-    0SOL     H3    3  -0.006010   0.007685   0.095222
-    1SOL     O4    4  -0.132971   0.195503  -0.153066
-    1SOL     H5    5  -0.068394   0.254652  -0.114420
-    1SOL     H6    6  -0.105878   0.108311  -0.124329
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/251/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089444  -0.033020   0.008474
-    0SOL     H3    3   0.003523   0.037435  -0.088026
-    1SOL     O4    4   0.210087  -0.208342   0.031905
-    1SOL     H5    5   0.137139  -0.154613   0.001017
-    1SOL     H6    6   0.221626  -0.182811   0.123433
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/252/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086072   0.040194  -0.011759
-    0SOL     H3    3   0.006699  -0.047214   0.082996
-    1SOL     O4    4   0.166322  -0.261552   0.070206
-    1SOL     H5    5   0.073602  -0.264956   0.093739
-    1SOL     H6    6   0.197517  -0.351202   0.082534
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/253/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044389  -0.081909   0.021975
-    0SOL     H3    3  -0.093224  -0.020803   0.006234
-    1SOL     O4    4   0.077551   0.028316   0.356649
-    1SOL     H5    5   0.079176  -0.066980   0.347798
-    1SOL     H6    6   0.055252   0.043511   0.448487
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/254/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.095015   0.009633   0.006460
-    0SOL     H3    3  -0.014707  -0.034291  -0.088148
-    1SOL     O4    4  -0.047449   0.181051   0.330518
-    1SOL     H5    5  -0.102687   0.208113   0.403857
-    1SOL     H6    6  -0.027846   0.088992   0.347930
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/255/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084122   0.040831  -0.020459
-    0SOL     H3    3   0.018323   0.026634   0.090096
-    1SOL     O4    4  -0.033382  -0.277682  -0.061679
-    1SOL     H5    5  -0.019513  -0.186442  -0.036278
-    1SOL     H6    6  -0.034323  -0.276073  -0.157381
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/256/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005573  -0.089105  -0.034520
-    0SOL     H3    3  -0.011082  -0.011477   0.094381
-    1SOL     O4    4  -0.114790   0.182447  -0.217578
-    1SOL     H5    5  -0.041194   0.243255  -0.224530
-    1SOL     H6    6  -0.086953   0.118471  -0.152045
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017042  -0.093323   0.012753
-    0SOL     H3    3  -0.089447   0.012608   0.031663
-    1SOL     O4    4   0.017664   0.064265  -0.256542
-    1SOL     H5    5   0.031709  -0.027173  -0.281120
-    1SOL     H6    6  -0.000513   0.061346  -0.162609
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.090027  -0.021220  -0.024640
-    0SOL     H3    3  -0.054004  -0.055293  -0.056467
-    1SOL     O4    4   0.171085  -0.069995   0.247325
-    1SOL     H5    5   0.239915  -0.023321   0.199931
-    1SOL     H6    6   0.213792  -0.101171   0.327115
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006239   0.094909  -0.010759
-    0SOL     H3    3   0.090738  -0.020768  -0.022306
-    1SOL     O4    4  -0.191825  -0.193417  -0.006623
-    1SOL     H5    5  -0.114954  -0.136437  -0.009178
-    1SOL     H6    6  -0.158720  -0.276910   0.026472
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/260/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073282   0.050884  -0.034682
-    0SOL     H3    3   0.000886   0.019939   0.093616
-    1SOL     O4    4  -0.071677   0.075132   0.266618
-    1SOL     H5    5  -0.150705   0.129141   0.266726
-    1SOL     H6    6  -0.003615   0.132118   0.302429
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082784  -0.040391  -0.026033
-    0SOL     H3    3  -0.005613   0.089666  -0.033029
-    1SOL     O4    4   0.116295  -0.016244  -0.319518
-    1SOL     H5    5   0.150821  -0.007443  -0.408359
-    1SOL     H6    6   0.027032  -0.048639  -0.331559
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/262/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.027645  -0.089943   0.017562
-    0SOL     H3    3  -0.076137   0.013170   0.056498
-    1SOL     O4    4   0.233932   0.143113   0.004777
-    1SOL     H5    5   0.184774   0.209206  -0.043982
-    1SOL     H6    6   0.177793   0.065597   0.003414
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084888   0.034095  -0.028175
-    0SOL     H3    3   0.011958  -0.020523   0.092726
-    1SOL     O4    4   0.233883   0.098427  -0.100192
-    1SOL     H5    5   0.259844   0.181157  -0.059645
-    1SOL     H6    6   0.282196   0.095982  -0.182788
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053364   0.078577   0.011841
-    0SOL     H3    3   0.054977  -0.071426   0.032220
-    1SOL     O4    4   0.172073   0.203523   0.067158
-    1SOL     H5    5   0.129947   0.289029   0.058413
-    1SOL     H6    6   0.248443   0.208403   0.009659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/265/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016307  -0.004894   0.094194
-    0SOL     H3    3   0.078441   0.041559  -0.035808
-    1SOL     O4    4  -0.182906   0.187544  -0.021035
-    1SOL     H5    5  -0.129584   0.110792  -0.000341
-    1SOL     H6    6  -0.271664   0.153122  -0.031008
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.089108  -0.033599  -0.009650
-    0SOL     H3    3  -0.055799  -0.069710  -0.034485
-    1SOL     O4    4  -0.134840  -0.220171  -0.158590
-    1SOL     H5    5  -0.218683  -0.244733  -0.119482
-    1SOL     H6    6  -0.157226  -0.190893  -0.246931
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089585   0.029902   0.015579
-    0SOL     H3    3   0.053295   0.051117   0.060902
-    1SOL     O4    4   0.055088  -0.066871  -0.274250
-    1SOL     H5    5  -0.010858  -0.025710  -0.330099
-    1SOL     H6    6   0.034048  -0.036553  -0.185929
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064086   0.067657  -0.021860
-    0SOL     H3    3   0.054215  -0.007958  -0.078484
-    1SOL     O4    4  -0.100451   0.258874  -0.076849
-    1SOL     H5    5  -0.190476   0.290188  -0.085634
-    1SOL     H6    6  -0.049898   0.337072  -0.054674
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002294  -0.092437  -0.024750
-    0SOL     H3    3  -0.044415   0.003268   0.084729
-    1SOL     O4    4  -0.217902   0.177925   0.228348
-    1SOL     H5    5  -0.160589   0.239592   0.182798
-    1SOL     H6    6  -0.185191   0.176715   0.318298
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036680  -0.086026   0.020406
-    0SOL     H3    3  -0.009681  -0.000014  -0.095229
-    1SOL     O4    4   0.115650   0.214495   0.124099
-    1SOL     H5    5   0.166799   0.182680   0.198490
-    1SOL     H6    6   0.079819   0.135313   0.083992
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045108  -0.070594   0.046304
-    0SOL     H3    3  -0.046363   0.007455  -0.083410
-    1SOL     O4    4   0.180276   0.165314   0.144167
-    1SOL     H5    5   0.265068   0.121147   0.139489
-    1SOL     H6    6   0.122225   0.111588   0.090260
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080191  -0.040740   0.032741
-    0SOL     H3    3  -0.007010  -0.006366  -0.095251
-    1SOL     O4    4   0.125438   0.212588   0.156587
-    1SOL     H5    5   0.219395   0.203420   0.140765
-    1SOL     H6    6   0.085131   0.145796   0.101120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/273/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002776  -0.094107  -0.017277
-    0SOL     H3    3  -0.083741   0.019126   0.042237
-    1SOL     O4    4   0.046903  -0.262371   0.007760
-    1SOL     H5    5   0.005759  -0.332064  -0.043352
-    1SOL     H6    6   0.140794  -0.274429  -0.006437
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013619  -0.093920  -0.012484
-    0SOL     H3    3  -0.032485   0.017427   0.088337
-    1SOL     O4    4   0.190163   0.108676   0.292009
-    1SOL     H5    5   0.104997   0.065073   0.289216
-    1SOL     H6    6   0.175910   0.192067   0.247229
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076784  -0.056238  -0.010191
-    0SOL     H3    3  -0.031711   0.087901  -0.020740
-    1SOL     O4    4  -0.207080  -0.153167  -0.063368
-    1SOL     H5    5  -0.295546  -0.148506  -0.027114
-    1SOL     H6    6  -0.189440  -0.246883  -0.071637
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016058  -0.075156  -0.057062
-    0SOL     H3    3   0.093544  -0.004453   0.019798
-    1SOL     O4    4   0.289109  -0.101891   0.017003
-    1SOL     H5    5   0.291906  -0.188439   0.057794
-    1SOL     H6    6   0.380934  -0.075942   0.009449
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078489   0.039374  -0.038098
-    0SOL     H3    3   0.027182  -0.027936   0.087425
-    1SOL     O4    4   0.260900   0.100055  -0.021793
-    1SOL     H5    5   0.269176   0.187407   0.016464
-    1SOL     H6    6   0.275123   0.113449  -0.115498
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061252   0.061278  -0.040689
-    0SOL     H3    3  -0.008172   0.016693   0.093898
-    1SOL     O4    4  -0.174961   0.194931  -0.067814
-    1SOL     H5    5  -0.267242   0.186052  -0.043989
-    1SOL     H6    6  -0.174176   0.189128  -0.163355
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005021  -0.079854  -0.052540
-    0SOL     H3    3  -0.008141  -0.031072   0.090170
-    1SOL     O4    4  -0.015065  -0.288524  -0.043006
-    1SOL     H5    5   0.066956  -0.329674  -0.015776
-    1SOL     H6    6  -0.021583  -0.307609  -0.136577
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085378  -0.042325   0.009025
-    0SOL     H3    3   0.011607   0.010731  -0.094406
-    1SOL     O4    4   0.247562  -0.169003   0.023067
-    1SOL     H5    5   0.169342  -0.133091  -0.018818
-    1SOL     H6    6   0.235500  -0.150593   0.116222
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067001   0.050402  -0.046183
-    0SOL     H3    3   0.043778  -0.031206   0.079196
-    1SOL     O4    4   0.104146  -0.055438   0.249620
-    1SOL     H5    5   0.182113  -0.001014   0.260641
-    1SOL     H6    6   0.122719  -0.134509   0.300267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/282/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030908  -0.003619  -0.090520
-    0SOL     H3    3   0.010588   0.091700   0.025326
-    1SOL     O4    4   0.059714   0.037224  -0.266879
-    1SOL     H5    5   0.032587   0.127897  -0.281190
-    1SOL     H6    6   0.147423   0.032133  -0.304874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/283/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077817   0.049450  -0.025721
-    0SOL     H3    3   0.008726   0.016142   0.093945
-    1SOL     O4    4   0.129279   0.287221   0.037755
-    1SOL     H5    5   0.130136   0.274102  -0.057058
-    1SOL     H6    6   0.132591   0.198793   0.074249
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068174   0.050392  -0.044443
-    0SOL     H3    3  -0.077212   0.056511  -0.002678
-    1SOL     O4    4  -0.025681   0.184142  -0.263900
-    1SOL     H5    5  -0.039345   0.216699  -0.352869
-    1SOL     H6    6   0.024030   0.103149  -0.275353
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/285/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.070469  -0.040797  -0.050319
-    0SOL     H3    3  -0.071439  -0.063648  -0.002789
-    1SOL     O4    4  -0.208152  -0.187487  -0.026630
-    1SOL     H5    5  -0.292471  -0.174609   0.016806
-    1SOL     H6    6  -0.193004  -0.281893  -0.022123
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/286/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020255   0.067672   0.064595
-    0SOL     H3    3  -0.088690  -0.028456   0.022059
-    1SOL     O4    4   0.210831  -0.169301   0.038484
-    1SOL     H5    5   0.195549  -0.131810   0.125221
-    1SOL     H6    6   0.143070  -0.130349  -0.016774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/287/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095264   0.003867  -0.008490
-    0SOL     H3    3   0.024719   0.086529   0.032620
-    1SOL     O4    4   0.118789   0.228596   0.095265
-    1SOL     H5    5   0.185011   0.266817   0.037679
-    1SOL     H6    6   0.157214   0.233775   0.182781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/288/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.065274  -0.060166  -0.035801
-    0SOL     H3    3   0.020605   0.004992   0.093343
-    1SOL     O4    4   0.074195   0.231338  -0.135014
-    1SOL     H5    5   0.042184   0.148489  -0.099325
-    1SOL     H6    6   0.004922   0.294358  -0.115215
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/289/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008160   0.093058   0.020879
-    0SOL     H3    3   0.013282  -0.004606  -0.094682
-    1SOL     O4    4  -0.260226  -0.086098   0.014970
-    1SOL     H5    5  -0.224333  -0.124433   0.094997
-    1SOL     H6    6  -0.190019  -0.030302  -0.018496
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/290/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083247   0.034418  -0.032369
-    0SOL     H3    3   0.013681  -0.011382   0.094051
-    1SOL     O4    4   0.241484   0.108152  -0.081113
-    1SOL     H5    5   0.251334   0.202406  -0.067638
-    1SOL     H6    6   0.296502   0.088885  -0.157035
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/291/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013798   0.091634   0.023981
-    0SOL     H3    3   0.005298  -0.000856  -0.095570
-    1SOL     O4    4   0.133826  -0.209201   0.172543
-    1SOL     H5    5   0.070119  -0.280526   0.168485
-    1SOL     H6    6   0.096034  -0.140140   0.118094
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/292/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001701   0.024892  -0.092411
-    0SOL     H3    3  -0.055678  -0.077703   0.004953
-    1SOL     O4    4  -0.061009  -0.018593   0.349710
-    1SOL     H5    5  -0.093251  -0.106669   0.330591
-    1SOL     H6    6  -0.098423   0.036167   0.280689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/293/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073161   0.057530  -0.022362
-    0SOL     H3    3   0.000762  -0.003720   0.095645
-    1SOL     O4    4   0.169356  -0.199405  -0.182684
-    1SOL     H5    5   0.174097  -0.287990  -0.218637
-    1SOL     H6    6   0.152443  -0.212258  -0.089352
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068693   0.060375  -0.028256
-    0SOL     H3    3   0.003995   0.010961   0.095006
-    1SOL     O4    4  -0.019518  -0.277598  -0.042200
-    1SOL     H5    5  -0.011271  -0.193412   0.002599
-    1SOL     H6    6  -0.005743  -0.257030  -0.134664
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072860  -0.051271  -0.035001
-    0SOL     H3    3   0.076797  -0.055729  -0.012601
-    1SOL     O4    4  -0.131001  -0.213513  -0.135346
-    1SOL     H5    5  -0.138645  -0.217147  -0.230691
-    1SOL     H6    6  -0.209260  -0.258336  -0.103271
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052601   0.067502   0.042882
-    0SOL     H3    3  -0.089993   0.019481   0.026155
-    1SOL     O4    4  -0.257712   0.091989   0.107072
-    1SOL     H5    5  -0.223421   0.090968   0.196433
-    1SOL     H6    6  -0.310449   0.012363   0.100692
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002803  -0.092374  -0.024931
-    0SOL     H3    3  -0.026780  -0.000746   0.091895
-    1SOL     O4    4  -0.026781  -0.293967  -0.074488
-    1SOL     H5    5   0.046133  -0.333422  -0.026644
-    1SOL     H6    6  -0.006117  -0.309348  -0.166677
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079244   0.030824   0.043961
-    0SOL     H3    3   0.026196  -0.011620  -0.091329
-    1SOL     O4    4  -0.346126  -0.070168  -0.062686
-    1SOL     H5    5  -0.301910  -0.014467   0.001381
-    1SOL     H6    6  -0.438727  -0.047376  -0.054447
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/299/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093366   0.014705   0.015127
-    0SOL     H3    3   0.041651   0.082459   0.025061
-    1SOL     O4    4  -0.082434   0.355256   0.117237
-    1SOL     H5    5  -0.004856   0.309643   0.149846
-    1SOL     H6    6  -0.082638   0.337966   0.023092
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051872  -0.015925   0.078855
-    0SOL     H3    3  -0.075936   0.049464   0.030810
-    1SOL     O4    4  -0.092108  -0.267752   0.195980
-    1SOL     H5    5  -0.099516  -0.258690   0.290981
-    1SOL     H6    6  -0.004329  -0.235493   0.175567
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074342  -0.052381   0.029864
-    0SOL     H3    3  -0.020500   0.021007  -0.091109
-    1SOL     O4    4  -0.169716   0.210163   0.178158
-    1SOL     H5    5  -0.179266   0.305181   0.184686
-    1SOL     H6    6  -0.139804   0.195155   0.088478
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087286   0.039110   0.003736
-    0SOL     H3    3   0.006741  -0.078915   0.053752
-    1SOL     O4    4   0.181724  -0.243679   0.125499
-    1SOL     H5    5   0.146194  -0.325238   0.090171
-    1SOL     H6    6   0.161367  -0.247131   0.218966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/303/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028805  -0.075820  -0.050832
-    0SOL     H3    3  -0.077933   0.055116   0.007143
-    1SOL     O4    4  -0.215512   0.131317   0.010770
-    1SOL     H5    5  -0.247987   0.156673  -0.075629
-    1SOL     H6    6  -0.287911   0.082777   0.050325
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052623  -0.069718   0.039148
-    0SOL     H3    3  -0.021854  -0.002861  -0.093148
-    1SOL     O4    4  -0.239379  -0.139085  -0.003586
-    1SOL     H5    5  -0.261268  -0.224088  -0.041765
-    1SOL     H6    6  -0.260196  -0.148452   0.089372
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.057938   0.065681   0.038620
-    0SOL     H3    3  -0.080257   0.047928  -0.020591
-    1SOL     O4    4  -0.127213   0.157469  -0.336479
-    1SOL     H5    5  -0.140681   0.182802  -0.427798
-    1SOL     H6    6  -0.215031   0.137930  -0.303792
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/306/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018247   0.007886  -0.093633
-    0SOL     H3    3  -0.080348  -0.036449   0.037122
-    1SOL     O4    4  -0.080173   0.013300  -0.269008
-    1SOL     H5    5  -0.123873  -0.067489  -0.295947
-    1SOL     H6    6  -0.132589   0.083153  -0.308192
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002785   0.016386   0.094266
-    0SOL     H3    3  -0.077002   0.048024  -0.030442
-    1SOL     O4    4  -0.047452  -0.284154  -0.055851
-    1SOL     H5    5  -0.046184  -0.211419   0.006362
-    1SOL     H6    6  -0.036367  -0.242732  -0.141429
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008336   0.087586   0.037704
-    0SOL     H3    3   0.007952   0.013656  -0.094407
-    1SOL     O4    4   0.247857   0.074120   0.200011
-    1SOL     H5    5   0.283028   0.162966   0.194380
-    1SOL     H6    6   0.312506   0.025942   0.251603
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/309/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019490   0.091514   0.020191
-    0SOL     H3    3   0.004212  -0.004928  -0.095500
-    1SOL     O4    4   0.051154   0.275653   0.047972
-    1SOL     H5    5  -0.017187   0.328330   0.006534
-    1SOL     H6    6   0.051014   0.303825   0.139452
-  3.000000   3.000000   3.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    0SOL     H3    3  -0.087035  -0.039536  -0.004903
-    1SOL     O4    4   0.212786  -0.207509  -0.025743
-    1SOL     H5    5   0.301036  -0.184610  -0.054894
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-    6
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-    1SOL     O4    4   0.346798   0.283450   0.124870
-    1SOL     H5    5   0.431768   0.251075   0.154778
-    1SOL     H6    6   0.349236   0.272942   0.029760
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-    6
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-    0SOL     H2    2   0.072837  -0.010423   0.061224
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-    1SOL     O4    4   0.083926   0.284116   0.037956
-    1SOL     H5    5   0.057486   0.208235  -0.014057
-    1SOL     H6    6   0.053764   0.264152   0.126579
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-    6
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-    0SOL     H3    3  -0.079380   0.016143   0.050995
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-    1SOL     H5    5  -0.255766  -0.001734   0.218540
-    1SOL     H6    6  -0.286869  -0.083800   0.095184
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-    6
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-    0SOL     H2    2   0.086441  -0.040619  -0.006355
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-    1SOL     O4    4   0.279818  -0.082934  -0.058431
-    1SOL     H5    5   0.317008  -0.012327  -0.005574
-    1SOL     H6    6   0.307072  -0.163161  -0.013899
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065527  -0.067001   0.019477
-    0SOL     H3    3  -0.051095   0.078354  -0.020305
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-    1SOL     H5    5  -0.013592  -0.006307   0.335048
-    1SOL     H6    6   0.074465   0.038056   0.220171
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.123988   0.071298  -0.240108
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-    1SOL     H6    6   0.134371  -0.001227  -0.301709
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-    6
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-    1SOL     H5    5  -0.278915   0.081800  -0.015088
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084888   0.040558   0.017649
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-    1SOL     O4    4   0.160201   0.237294   0.114139
-    1SOL     H5    5   0.222302   0.285751   0.059754
-    1SOL     H6    6   0.210837   0.211411   0.191135
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089682  -0.002756   0.033345
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-    1SOL     H5    5  -0.324211   0.041107   0.053091
-    1SOL     H6    6  -0.265031   0.008704   0.188616
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H6    6   0.207661   0.214337   0.175515
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.150035   0.280381   0.052474
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-    6
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-    1SOL     H6    6   0.165102   0.212114   0.199148
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-    6
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-    0SOL     H2    2   0.069642  -0.021593   0.062016
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-    1SOL     O4    4  -0.205479  -0.177022   0.012600
-    1SOL     H5    5  -0.283607  -0.140095   0.053767
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060897   0.057702  -0.046091
-    0SOL     H3    3   0.070037   0.057991   0.029905
-    1SOL     O4    4  -0.180577   0.169385  -0.169868
-    1SOL     H5    5  -0.127289   0.248626  -0.176469
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045793   0.067380  -0.050253
-    0SOL     H3    3   0.092846   0.017973  -0.014796
-    1SOL     O4    4   0.141218  -0.008598  -0.371954
-    1SOL     H5    5   0.175952  -0.089915  -0.335303
-    1SOL     H6    6   0.149626   0.055187  -0.301080
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011207   0.086971   0.038378
-    0SOL     H3    3   0.002213   0.015007  -0.094510
-    1SOL     O4    4  -0.004370   0.271670   0.060938
-    1SOL     H5    5  -0.083646   0.313112   0.026877
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005037   0.004905  -0.095461
-    0SOL     H3    3  -0.085320  -0.034116   0.026813
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-    1SOL     H5    5  -0.295544  -0.084958   0.128866
-    1SOL     H6    6  -0.290038  -0.133014  -0.014588
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015212   0.050701   0.079752
-    0SOL     H3    3  -0.076607   0.040941  -0.040219
-    1SOL     O4    4   0.261116  -0.175768   0.167381
-    1SOL     H5    5   0.200551  -0.199033   0.237758
-    1SOL     H6    6   0.324566  -0.247416   0.165660
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084553   0.044867  -0.000376
-    0SOL     H3    3  -0.001790  -0.048518  -0.082493
-    1SOL     O4    4   0.291450  -0.148321  -0.165653
-    1SOL     H5    5   0.250577  -0.230581  -0.192580
-    1SOL     H6    6   0.228560  -0.080808  -0.191129
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-    6
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-    0SOL     H3    3  -0.004553   0.087284  -0.039026
-    1SOL     O4    4  -0.007864   0.252432  -0.141850
-    1SOL     H5    5  -0.082170   0.309149  -0.121256
-    1SOL     H6    6  -0.037358   0.200431  -0.216605
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077486  -0.036806  -0.042469
-    0SOL     H3    3  -0.055353  -0.075798   0.018787
-    1SOL     O4    4  -0.208427  -0.184387   0.040846
-    1SOL     H5    5  -0.259824  -0.185538   0.121589
-    1SOL     H6    6  -0.250869  -0.249052  -0.015541
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.065183   0.046489  -0.052463
-    0SOL     H3    3   0.040181  -0.008141   0.086496
-    1SOL     O4    4   0.197106  -0.211822  -0.188991
-    1SOL     H5    5   0.274004  -0.213148  -0.245976
-    1SOL     H6    6   0.228875  -0.174717  -0.106673
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015410  -0.027932  -0.090248
-    0SOL     H3    3   0.057527  -0.055648   0.052500
-    1SOL     O4    4   0.154507  -0.187039   0.114181
-    1SOL     H5    5   0.097142  -0.263342   0.107154
-    1SOL     H6    6   0.242613  -0.223807   0.121081
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013545  -0.094527   0.006598
-    0SOL     H3    3  -0.085192   0.014956   0.041001
-    1SOL     O4    4   0.074514   0.048672  -0.271500
-    1SOL     H5    5   0.168870   0.064365  -0.275099
-    1SOL     H6    6   0.050159   0.069419  -0.181285
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047235   0.067542  -0.048675
-    0SOL     H3    3  -0.041108  -0.082150  -0.026906
-    1SOL     O4    4  -0.356823  -0.074584   0.149038
-    1SOL     H5    5  -0.279169  -0.124164   0.175002
-    1SOL     H6    6  -0.322151   0.002792   0.104618
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091556  -0.025551  -0.011269
-    0SOL     H3    3  -0.049220  -0.081235  -0.011858
-    1SOL     O4    4   0.254332   0.203959   0.022452
-    1SOL     H5    5   0.179275   0.258301  -0.001544
-    1SOL     H6    6   0.268505   0.222273   0.115328
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/354/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.070016   0.045674   0.046626
-    0SOL     H3    3  -0.015949   0.053517  -0.077743
-    1SOL     O4    4   0.197886   0.150118   0.088043
-    1SOL     H5    5   0.229610   0.111796   0.169819
-    1SOL     H6    6   0.197564   0.244450   0.104284
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/355/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045996  -0.057911  -0.060770
-    0SOL     H3    3   0.051833  -0.003528   0.080394
-    1SOL     O4    4   0.258662  -0.133022   0.089368
-    1SOL     H5    5   0.268383  -0.047998   0.132249
-    1SOL     H6    6   0.306649  -0.124005   0.007038
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/356/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.015585   0.094379   0.003481
-    0SOL     H3    3  -0.083059  -0.036950  -0.029971
-    1SOL     O4    4  -0.011439  -0.055531  -0.331832
-    1SOL     H5    5  -0.106407  -0.047167  -0.340398
-    1SOL     H6    6   0.020756  -0.056939  -0.421965
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/357/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089484  -0.007703  -0.033099
-    0SOL     H3    3   0.047781  -0.070732  -0.043316
-    1SOL     O4    4   0.217893  -0.135312  -0.079322
-    1SOL     H5    5   0.198690  -0.226723  -0.058402
-    1SOL     H6    6   0.228913  -0.134255  -0.174399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/358/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094086   0.016767   0.005387
-    0SOL     H3    3   0.023138  -0.034833   0.086102
-    1SOL     O4    4   0.068063  -0.124379   0.220759
-    1SOL     H5    5   0.033482  -0.191986   0.279031
-    1SOL     H6    6   0.116872  -0.065635   0.278458
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060984  -0.004614   0.073634
-    0SOL     H3    3  -0.085422  -0.019963   0.038300
-    1SOL     O4    4  -0.214533  -0.069452   0.150711
-    1SOL     H5    5  -0.204530  -0.093881   0.242719
-    1SOL     H6    6  -0.254490   0.017494   0.153173
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091331   0.003419  -0.028448
-    0SOL     H3    3   0.034473   0.087153  -0.019451
-    1SOL     O4    4  -0.242944  -0.135735  -0.067685
-    1SOL     H5    5  -0.333738  -0.127586  -0.038489
-    1SOL     H6    6  -0.216866  -0.223788  -0.040688
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/361/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.055021  -0.051429  -0.059076
-    0SOL     H3    3  -0.019408   0.091041  -0.022297
-    1SOL     O4    4  -0.196646  -0.002251   0.190638
-    1SOL     H5    5  -0.201680  -0.095036   0.213615
-    1SOL     H6    6  -0.126255   0.002672   0.125961
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/362/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000943   0.076929   0.056950
-    0SOL     H3    3   0.026056   0.033372  -0.085847
-    1SOL     O4    4   0.050470   0.279202   0.021964
-    1SOL     H5    5  -0.033793   0.321210   0.004716
-    1SOL     H6    6   0.067413   0.296524   0.114566
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/363/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.033028  -0.006677   0.089593
-    0SOL     H3    3   0.094155  -0.015306   0.007929
-    1SOL     O4    4  -0.104052   0.025417   0.264742
-    1SOL     H5    5  -0.080920   0.001651   0.354533
-    1SOL     H6    6  -0.186619   0.073124   0.273057
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/364/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083391  -0.042710   0.019598
-    0SOL     H3    3  -0.023723  -0.032404  -0.086888
-    1SOL     O4    4  -0.010714   0.275837   0.043016
-    1SOL     H5    5  -0.016057   0.274275   0.138574
-    1SOL     H6    6  -0.005200   0.183668   0.017779
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/365/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069637   0.057812   0.031158
-    0SOL     H3    3  -0.071848   0.059037  -0.022689
-    1SOL     O4    4   0.073374  -0.098693  -0.240088
-    1SOL     H5    5  -0.002250  -0.154792  -0.257298
-    1SOL     H6    6   0.058506  -0.064781  -0.151820
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/366/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090819   0.029759   0.005345
-    0SOL     H3    3   0.051116   0.072262   0.036438
-    1SOL     O4    4   0.166286   0.208434  -0.237937
-    1SOL     H5    5   0.251845   0.250128  -0.227767
-    1SOL     H6    6   0.174357   0.125350  -0.191095
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014168  -0.072355   0.061044
-    0SOL     H3    3  -0.064511  -0.033448  -0.062305
-    1SOL     O4    4  -0.292974  -0.219196   0.063173
-    1SOL     H5    5  -0.284503  -0.124290   0.072314
-    1SOL     H6    6  -0.253292  -0.238768  -0.021706
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021435   0.018140  -0.091508
-    0SOL     H3    3  -0.084870  -0.012035   0.042598
-    1SOL     O4    4  -0.133347   0.042158  -0.233499
-    1SOL     H5    5  -0.223695   0.073670  -0.230932
-    1SOL     H6    6  -0.113763   0.033005  -0.326746
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008291  -0.093538  -0.018552
-    0SOL     H3    3  -0.001406   0.005482   0.095552
-    1SOL     O4    4  -0.110990   0.194985  -0.167353
-    1SOL     H5    5  -0.043418   0.261977  -0.177769
-    1SOL     H6    6  -0.070843   0.128987  -0.110831
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051078   0.062143   0.051881
-    0SOL     H3    3  -0.089795   0.032797   0.004843
-    1SOL     O4    4  -0.010407  -0.245026   0.136547
-    1SOL     H5    5   0.013312  -0.158580   0.102977
-    1SOL     H6    6  -0.001450  -0.237174   0.231523
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004292  -0.056635   0.077048
-    0SOL     H3    3   0.088500  -0.012670  -0.034198
-    1SOL     O4    4  -0.035210   0.259195   0.106392
-    1SOL     H5    5  -0.126924   0.275366   0.084273
-    1SOL     H6    6  -0.012227   0.180314   0.057280
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082091   0.020007  -0.044978
-    0SOL     H3    3   0.030682  -0.080911  -0.040918
-    1SOL     O4    4   0.127448  -0.260854  -0.010814
-    1SOL     H5    5   0.171118  -0.343543  -0.031252
-    1SOL     H6    6   0.109476  -0.265770   0.083075
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.053537   0.037671  -0.069835
-    0SOL     H3    3  -0.006578  -0.094592  -0.013090
-    1SOL     O4    4   0.247476   0.103495  -0.060895
-    1SOL     H5    5   0.246944   0.197507  -0.042900
-    1SOL     H6    6   0.162858   0.072419  -0.028701
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.035401  -0.080657  -0.037464
-    0SOL     H3    3   0.093060  -0.018343   0.012873
-    1SOL     O4    4   0.270193  -0.016543  -0.029649
-    1SOL     H5    5   0.351650   0.033659  -0.027042
-    1SOL     H6    6   0.295412  -0.104654  -0.002031
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.046898   0.073605   0.039309
-    0SOL     H3    3   0.030376   0.033252  -0.084462
-    1SOL     O4    4   0.166850  -0.204218   0.060245
-    1SOL     H5    5   0.167589  -0.213181   0.155541
-    1SOL     H6    6   0.111418  -0.127948   0.043742
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020642   0.091729   0.017946
-    0SOL     H3    3   0.047006  -0.048842   0.067581
-    1SOL     O4    4   0.068559   0.276864  -0.039621
-    1SOL     H5    5   0.093073   0.324094  -0.119187
-    1SOL     H6    6   0.025263   0.342552   0.014903
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032940  -0.045097   0.077740
-    0SOL     H3    3   0.014452   0.092857   0.018194
-    1SOL     O4    4  -0.205820  -0.042968  -0.296636
-    1SOL     H5    5  -0.209553   0.016069  -0.371889
-    1SOL     H6    6  -0.186217  -0.128728  -0.334363
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044822   0.067696   0.050700
-    0SOL     H3    3  -0.093029   0.015191   0.016651
-    1SOL     O4    4  -0.261702  -0.065160   0.045448
-    1SOL     H5    5  -0.331492  -0.011048   0.008520
-    1SOL     H6    6  -0.252629  -0.034369   0.135625
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.057994  -0.054191   0.053501
-    0SOL     H3    3  -0.017910  -0.053272  -0.077483
-    1SOL     O4    4  -0.024972   0.266946   0.048320
-    1SOL     H5    5  -0.011530   0.183902   0.002655
-    1SOL     H6    6  -0.046117   0.241755   0.138212
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072123   0.031730   0.054349
-    0SOL     H3    3   0.040441  -0.019529  -0.084531
-    1SOL     O4    4   0.051482  -0.021697  -0.259073
-    1SOL     H5    5   0.076999   0.049814  -0.317359
-    1SOL     H6    6   0.073201  -0.101221  -0.307721
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011330  -0.091689   0.025043
-    0SOL     H3    3   0.004591   0.048178   0.082584
-    1SOL     O4    4  -0.269456  -0.022835  -0.013868
-    1SOL     H5    5  -0.173814  -0.022424  -0.017705
-    1SOL     H6    6  -0.295366  -0.096717  -0.068936
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093242  -0.006104  -0.020762
-    0SOL     H3    3  -0.019345   0.093669  -0.003777
-    1SOL     O4    4  -0.268700  -0.107290  -0.051784
-    1SOL     H5    5  -0.267280  -0.189374  -0.002565
-    1SOL     H6    6  -0.185734  -0.064810  -0.030004
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005063   0.047963  -0.082682
-    0SOL     H3    3  -0.000232   0.068077   0.067288
-    1SOL     O4    4  -0.205388  -0.165195   0.063685
-    1SOL     H5    5  -0.136515  -0.100616   0.047924
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-    6
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-    0SOL     H2    2  -0.002012   0.077856  -0.055649
-    0SOL     H3    3  -0.090517  -0.011041   0.029105
-    1SOL     O4    4   0.351108   0.158115   0.016542
-    1SOL     H5    5   0.353713   0.151452  -0.078910
-    1SOL     H6    6   0.263754   0.127085   0.040391
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081915  -0.029401   0.039848
-    0SOL     H3    3  -0.042497  -0.080476  -0.029664
-    1SOL     O4    4  -0.124548  -0.163101   0.219806
-    1SOL     H5    5  -0.033393  -0.144720   0.242506
-    1SOL     H6    6  -0.147733  -0.095048   0.156611
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074567   0.059228  -0.009703
-    0SOL     H3    3   0.063260   0.049402   0.052153
-    1SOL     O4    4  -0.227769   0.128526  -0.099184
-    1SOL     H5    5  -0.222531   0.198864  -0.034473
-    1SOL     H6    6  -0.183560   0.163675  -0.176466
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/387/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.034281  -0.062624   0.063760
-    0SOL     H3    3   0.010586   0.085320   0.042080
-    1SOL     O4    4   0.022815  -0.023311  -0.276050
-    1SOL     H5    5   0.021011   0.004823  -0.184576
-    1SOL     H6    6   0.100367  -0.079049  -0.282490
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/388/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079039  -0.035169  -0.040966
-    0SOL     H3    3   0.014977  -0.056573   0.075747
-    1SOL     O4    4   0.227003   0.122999  -0.183189
-    1SOL     H5    5   0.256895   0.104502  -0.094157
-    1SOL     H6    6   0.135418   0.148849  -0.172870
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045793   0.074242   0.039414
-    0SOL     H3    3  -0.089705   0.007059   0.032643
-    1SOL     O4    4   0.123485   0.200951   0.135703
-    1SOL     H5    5   0.133980   0.190223   0.230239
-    1SOL     H6    6   0.183262   0.272131   0.112845
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.050336  -0.018043  -0.079392
-    0SOL     H3    3   0.060639  -0.018764   0.071646
-    1SOL     O4    4  -0.084806   0.216703   0.173614
-    1SOL     H5    5  -0.161813   0.273550   0.172793
-    1SOL     H6    6  -0.088422   0.170187   0.090035
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069323  -0.065616   0.007157
-    0SOL     H3    3  -0.037561   0.068685  -0.055081
-    1SOL     O4    4  -0.220568   0.232431   0.124718
-    1SOL     H5    5  -0.139663   0.283530   0.122337
-    1SOL     H6    6  -0.283627   0.289372   0.168805
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/392/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094574   0.008976  -0.011729
-    0SOL     H3    3  -0.032614   0.089976   0.001740
-    1SOL     O4    4  -0.190754   0.179759   0.323233
-    1SOL     H5    5  -0.196147   0.270353   0.353661
-    1SOL     H6    6  -0.280691   0.147373   0.328220
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071581   0.019697  -0.060419
-    0SOL     H3    3  -0.070738  -0.031740  -0.056134
-    1SOL     O4    4   0.219520  -0.040254  -0.250116
-    1SOL     H5    5   0.298559   0.003499  -0.218479
-    1SOL     H6    6   0.249290  -0.092871  -0.324330
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/394/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.040609   0.044023   0.074667
-    0SOL     H3    3  -0.054127  -0.068580   0.039107
-    1SOL     O4    4  -0.110084  -0.119703   0.230713
-    1SOL     H5    5  -0.193243  -0.115441   0.277922
-    1SOL     H6    6  -0.086986  -0.212593   0.231126
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/395/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.062473  -0.053144   0.049347
-    0SOL     H3    3   0.043078   0.084936  -0.009617
-    1SOL     O4    4   0.238327  -0.167665  -0.225652
-    1SOL     H5    5   0.304656  -0.226998  -0.260901
-    1SOL     H6    6   0.191648  -0.219890  -0.160414
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078572  -0.005339  -0.054408
-    0SOL     H3    3   0.029348  -0.026420   0.087195
-    1SOL     O4    4  -0.016846  -0.073002   0.263684
-    1SOL     H5    5   0.003959  -0.164145   0.284233
-    1SOL     H6    6  -0.006868  -0.026759   0.346897
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/397/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016039   0.008110   0.094018
-    0SOL     H3    3   0.088311   0.034793  -0.012369
-    1SOL     O4    4  -0.089066  -0.245006  -0.081759
-    1SOL     H5    5  -0.176839  -0.232274  -0.117761
-    1SOL     H6    6  -0.049818  -0.157709  -0.082769
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/398/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.023371   0.075142  -0.054495
-    0SOL     H3    3  -0.019708   0.028102   0.089354
-    1SOL     O4    4   0.182366  -0.300393  -0.118286
-    1SOL     H5    5   0.241712  -0.373321  -0.136222
-    1SOL     H6    6   0.117577  -0.336498  -0.057778
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082689   0.033191   0.034975
-    0SOL     H3    3  -0.022897  -0.035931  -0.085715
-    1SOL     O4    4  -0.220670   0.088529   0.152554
-    1SOL     H5    5  -0.288237   0.038188   0.197973
-    1SOL     H6    6  -0.267674   0.162464   0.113999
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084133  -0.027144  -0.036704
-    0SOL     H3    3   0.004331   0.095605   0.001811
-    1SOL     O4    4  -0.156309   0.116736   0.324468
-    1SOL     H5    5  -0.072962   0.137072   0.282018
-    1SOL     H6    6  -0.132075   0.065583   0.401659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/401/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005864  -0.036032  -0.088485
-    0SOL     H3    3   0.043848  -0.064729   0.055225
-    1SOL     O4    4   0.188174   0.208644  -0.007794
-    1SOL     H5    5   0.249331   0.154570   0.042187
-    1SOL     H6    6   0.109911   0.154276  -0.016811
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/402/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.032708   0.086211   0.025693
-    0SOL     H3    3   0.047755   0.015746  -0.081448
-    1SOL     O4    4  -0.222889  -0.139266   0.069296
-    1SOL     H5    5  -0.201832  -0.166949   0.158473
-    1SOL     H6    6  -0.151583  -0.080196   0.045036
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003216  -0.095518   0.005320
-    0SOL     H3    3   0.009649   0.019179  -0.093281
-    1SOL     O4    4  -0.147964  -0.251036  -0.192121
-    1SOL     H5    5  -0.137430  -0.298508  -0.274569
-    1SOL     H6    6  -0.108674  -0.308316  -0.126259
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070712   0.020823  -0.061062
-    0SOL     H3    3   0.029672  -0.087081  -0.026436
-    1SOL     O4    4   0.114958  -0.238765  -0.052401
-    1SOL     H5    5   0.150920  -0.221162   0.034543
-    1SOL     H6    6   0.188371  -0.224346  -0.112107
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.086012   0.034660   0.023726
-    0SOL     H3    3  -0.000481  -0.001961  -0.095699
-    1SOL     O4    4   0.258178   0.082493   0.041863
-    1SOL     H5    5   0.263304   0.154248  -0.021282
-    1SOL     H6    6   0.166343   0.055554   0.040175
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019812   0.082285   0.044710
-    0SOL     H3    3   0.084668  -0.030671  -0.032449
-    1SOL     O4    4   0.275346  -0.027726  -0.110652
-    1SOL     H5    5   0.325145  -0.109403  -0.107299
-    1SOL     H6    6   0.251172  -0.018121  -0.202770
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081469  -0.042424  -0.026931
-    0SOL     H3    3  -0.055999  -0.004182  -0.077517
-    1SOL     O4    4  -0.253295  -0.049638  -0.137934
-    1SOL     H5    5  -0.311758   0.018998  -0.105788
-    1SOL     H6    6  -0.285145  -0.068938  -0.226112
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024302   0.082485   0.042047
-    0SOL     H3    3  -0.095552  -0.002329   0.005162
-    1SOL     O4    4   0.111843  -0.193139   0.141007
-    1SOL     H5    5   0.096550  -0.111336   0.093714
-    1SOL     H6    6   0.168841  -0.168458   0.213838
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.035523   0.087647   0.014779
-    0SOL     H3    3   0.075383  -0.052095  -0.027674
-    1SOL     O4    4   0.214717  -0.149298  -0.079234
-    1SOL     H5    5   0.260466  -0.071269  -0.110551
-    1SOL     H6    6   0.220436  -0.211277  -0.151954
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094106  -0.008258  -0.015432
-    0SOL     H3    3  -0.039666  -0.064566  -0.058482
-    1SOL     O4    4  -0.156359  -0.213973  -0.127181
-    1SOL     H5    5  -0.195578  -0.210930  -0.214445
-    1SOL     H6    6  -0.221851  -0.257935  -0.072955
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018536   0.065298   0.067490
-    0SOL     H3    3  -0.086009  -0.034912   0.023364
-    1SOL     O4    4   0.099656   0.047811  -0.241144
-    1SOL     H5    5   0.047058   0.120199  -0.275142
-    1SOL     H6    6   0.065841   0.032983  -0.152832
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.059462  -0.045190  -0.059871
-    0SOL     H3    3  -0.007685  -0.058814   0.075128
-    1SOL     O4    4  -0.146191  -0.338992  -0.047428
-    1SOL     H5    5  -0.153651  -0.355955   0.046481
-    1SOL     H6    6  -0.057640  -0.304409  -0.058609
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049353  -0.039035  -0.072131
-    0SOL     H3    3  -0.025108   0.086579  -0.032187
-    1SOL     O4    4  -0.261203   0.209051   0.086492
-    1SOL     H5    5  -0.198162   0.250539   0.145372
-    1SOL     H6    6  -0.342258   0.258253   0.099593
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.030912   0.026160  -0.086732
-    0SOL     H3    3  -0.035426   0.066405   0.059141
-    1SOL     O4    4   0.246393  -0.052770   0.086200
-    1SOL     H5    5   0.223149  -0.020381   0.173223
-    1SOL     H6    6   0.171815  -0.029086   0.031067
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016563   0.075949   0.055855
-    0SOL     H3    3   0.055879  -0.068889   0.035975
-    1SOL     O4    4   0.031197   0.110251  -0.253387
-    1SOL     H5    5  -0.008873   0.197059  -0.248788
-    1SOL     H6    6   0.027928   0.077519  -0.163497
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082901  -0.033118   0.034538
-    0SOL     H3    3   0.067106  -0.046814   0.049675
-    1SOL     O4    4   0.057757  -0.075353  -0.254494
-    1SOL     H5    5   0.137549  -0.120952  -0.281259
-    1SOL     H6    6   0.061482  -0.074598  -0.158850
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079092  -0.010896  -0.052802
-    0SOL     H3    3  -0.060973   0.046372  -0.057396
-    1SOL     O4    4  -0.081952  -0.063243   0.235037
-    1SOL     H5    5  -0.160720  -0.013491   0.257006
-    1SOL     H6    6  -0.063826  -0.040454   0.143853
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071241  -0.009253   0.063257
-    0SOL     H3    3   0.071053  -0.053126   0.035936
-    1SOL     O4    4  -0.350733  -0.063031  -0.081945
-    1SOL     H5    5  -0.309329  -0.005002  -0.145824
-    1SOL     H6    6  -0.322452  -0.150854  -0.107434
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.062768  -0.026282   0.067318
-    0SOL     H3    3   0.081710  -0.042970   0.025287
-    1SOL     O4    4   0.166709   0.204530   0.174981
-    1SOL     H5    5   0.203954   0.116639   0.182067
-    1SOL     H6    6   0.075520   0.189991   0.149771
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.095217  -0.002500   0.009477
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-    1SOL     O4    4   0.284863  -0.019752   0.005747
-    1SOL     H5    5   0.296487   0.055876   0.063259
-    1SOL     H6    6   0.327321   0.005659  -0.076192
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002326  -0.036947   0.088271
-    0SOL     H3    3   0.086029  -0.024556  -0.034035
-    1SOL     O4    4   0.278642  -0.031040  -0.074911
-    1SOL     H5    5   0.313330  -0.055314  -0.160759
-    1SOL     H6    6   0.327671  -0.085171  -0.013037
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031364  -0.000278   0.090435
-    0SOL     H3    3   0.066967   0.048245  -0.048478
-    1SOL     O4    4   0.116479   0.215138  -0.125067
-    1SOL     H5    5   0.176556   0.260710  -0.184028
-    1SOL     H6    6   0.045880   0.277884  -0.109544
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004511  -0.036249   0.088476
-    0SOL     H3    3   0.063490   0.071338   0.006501
-    1SOL     O4    4   0.188252   0.193269  -0.039480
-    1SOL     H5    5   0.167528   0.216013  -0.130120
-    1SOL     H6    6   0.229584   0.271912  -0.003853
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.059308   0.074808  -0.006971
-    0SOL     H3    3  -0.026477  -0.044180   0.080681
-    1SOL     O4    4   0.273019   0.116851   0.101452
-    1SOL     H5    5   0.362066   0.099801   0.132148
-    1SOL     H6    6   0.235857   0.029974   0.086167
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075207   0.005253  -0.058980
-    0SOL     H3    3  -0.051087   0.078640  -0.019191
-    1SOL     O4    4   0.165862   0.275326   0.057297
-    1SOL     H5    5   0.093642   0.326991   0.093036
-    1SOL     H6    6   0.184207   0.209883   0.124699
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048506  -0.079313   0.022780
-    0SOL     H3    3  -0.066174  -0.029477  -0.062566
-    1SOL     O4    4  -0.276228  -0.105353   0.163929
-    1SOL     H5    5  -0.290264  -0.026977   0.110801
-    1SOL     H6    6  -0.353272  -0.159687   0.147365
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.031052  -0.047697   0.076961
-    0SOL     H3    3  -0.031605  -0.051286  -0.074385
-    1SOL     O4    4  -0.068297  -0.108468  -0.250374
-    1SOL     H5    5  -0.147145  -0.071114  -0.289744
-    1SOL     H6    6   0.003961  -0.068218  -0.298550
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004902   0.056072   0.077423
-    0SOL     H3    3  -0.065271  -0.066306   0.022483
-    1SOL     O4    4  -0.101285  -0.192025  -0.223677
-    1SOL     H5    5  -0.063551  -0.234515  -0.300703
-    1SOL     H6    6  -0.181991  -0.240578  -0.206607
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.029963  -0.083857   0.035109
-    0SOL     H3    3  -0.023958   0.064012   0.067014
-    1SOL     O4    4   0.069874   0.085799  -0.262072
-    1SOL     H5    5   0.039859   0.078906  -0.171441
-    1SOL     H6    6   0.057295   0.177982  -0.284573
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.039621  -0.072992   0.047588
-    0SOL     H3    3  -0.038393  -0.004770  -0.087553
-    1SOL     O4    4  -0.140447  -0.214491   0.112719
-    1SOL     H5    5  -0.233447  -0.218442   0.090411
-    1SOL     H6    6  -0.132494  -0.267612   0.191947
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000683  -0.017968  -0.094016
-    0SOL     H3    3   0.091570   0.017415   0.021770
-    1SOL     O4    4  -0.178122  -0.245065  -0.155417
-    1SOL     H5    5  -0.262816  -0.276675  -0.123953
-    1SOL     H6    6  -0.138619  -0.320957  -0.198338
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.046524   0.055745   0.062372
-    0SOL     H3    3   0.000367  -0.086759   0.040437
-    1SOL     O4    4   0.103423   0.046823  -0.257886
-    1SOL     H5    5   0.078347   0.030174  -0.167021
-    1SOL     H6    6   0.062898  -0.024373  -0.307395
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091075   0.007722   0.028426
-    0SOL     H3    3   0.004544   0.051842  -0.080337
-    1SOL     O4    4   0.119315   0.146558  -0.204157
-    1SOL     H5    5   0.073743   0.229054  -0.187427
-    1SOL     H6    6   0.071473   0.107067  -0.277054
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076839  -0.007910  -0.056529
-    0SOL     H3    3  -0.059363  -0.068637  -0.030451
-    1SOL     O4    4  -0.114308   0.248543  -0.104296
-    1SOL     H5    5  -0.206271   0.251346  -0.077890
-    1SOL     H6    6  -0.078595   0.172264  -0.058815
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031755  -0.001162   0.090292
-    0SOL     H3    3   0.008168   0.091428  -0.027137
-    1SOL     O4    4   0.144466  -0.162019  -0.161146
-    1SOL     H5    5   0.080345  -0.233028  -0.158225
-    1SOL     H6    6   0.106361  -0.093026  -0.106828
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071426  -0.063003  -0.009550
-    0SOL     H3    3  -0.026653   0.074782  -0.053475
-    1SOL     O4    4  -0.183883  -0.214012  -0.027894
-    1SOL     H5    5  -0.240756  -0.216128   0.049068
-    1SOL     H6    6  -0.243427  -0.224908  -0.102043
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/437/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087415  -0.033844   0.019377
-    0SOL     H3    3   0.000135   0.088751   0.035855
-    1SOL     O4    4   0.263586  -0.111209   0.077299
-    1SOL     H5    5   0.234226  -0.171690   0.145434
-    1SOL     H6    6   0.289180  -0.167748   0.004425
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/438/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093692   0.012149  -0.015381
-    0SOL     H3    3  -0.040273   0.080604  -0.032302
-    1SOL     O4    4   0.099581  -0.037381  -0.306617
-    1SOL     H5    5   0.175875   0.015344  -0.282918
-    1SOL     H6    6   0.109949  -0.118391  -0.256695
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009878   0.032630  -0.089443
-    0SOL     H3    3   0.088379  -0.036673   0.002544
-    1SOL     O4    4  -0.161222   0.014052   0.317121
-    1SOL     H5    5  -0.175190   0.084111   0.253411
-    1SOL     H6    6  -0.092999   0.047702   0.375222
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078523  -0.027812   0.047147
-    0SOL     H3    3   0.049705  -0.080676  -0.013530
-    1SOL     O4    4   0.133031   0.210871   0.085228
-    1SOL     H5    5   0.104568   0.239298   0.172085
-    1SOL     H6    6   0.080885   0.132629   0.067300
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.033104   0.082784  -0.034832
-    0SOL     H3    3   0.051541  -0.067156  -0.044675
-    1SOL     O4    4  -0.129266   0.183093  -0.207415
-    1SOL     H5    5  -0.165757   0.222817  -0.128341
-    1SOL     H6    6  -0.155299   0.091124  -0.202278
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056592   0.035536  -0.068533
-    0SOL     H3    3  -0.078623  -0.028838  -0.046358
-    1SOL     O4    4  -0.253646  -0.044190  -0.077512
-    1SOL     H5    5  -0.279351  -0.130229  -0.110663
-    1SOL     H6    6  -0.321432  -0.021809  -0.013744
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024616   0.047415   0.079424
-    0SOL     H3    3  -0.068426   0.053794  -0.039830
-    1SOL     O4    4  -0.224839  -0.067826   0.323423
-    1SOL     H5    5  -0.160334  -0.138098   0.315476
-    1SOL     H6    6  -0.293288  -0.104311   0.379512
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.033479  -0.084474   0.030095
-    0SOL     H3    3  -0.022000  -0.014320  -0.092050
-    1SOL     O4    4   0.221315   0.161280   0.017066
-    1SOL     H5    5   0.136755   0.129160  -0.014242
-    1SOL     H6    6   0.235196   0.242968  -0.030859
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090311   0.011814  -0.029439
-    0SOL     H3    3   0.028373  -0.081372  -0.041665
-    1SOL     O4    4   0.262883   0.225914   0.116870
-    1SOL     H5    5   0.245991   0.307156   0.069155
-    1SOL     H6    6   0.176426   0.196509   0.145555
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001341  -0.042479   0.085767
-    0SOL     H3    3  -0.035914  -0.065541  -0.059806
-    1SOL     O4    4  -0.148283  -0.207544  -0.139095
-    1SOL     H5    5  -0.236431  -0.170562  -0.134141
-    1SOL     H6    6  -0.145407  -0.251416  -0.224121
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.043739   0.056339   0.063836
-    0SOL     H3    3   0.087223   0.038163  -0.009903
-    1SOL     O4    4  -0.221819   0.037064   0.242943
-    1SOL     H5    5  -0.251775   0.053260   0.332400
-    1SOL     H6    6  -0.271285  -0.039835   0.214623
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002563   0.095474  -0.006365
-    0SOL     H3    3  -0.080503  -0.029078  -0.042850
-    1SOL     O4    4  -0.145358   0.015702   0.237215
-    1SOL     H5    5  -0.128195  -0.015311   0.148299
-    1SOL     H6    6  -0.235672  -0.010676   0.254817
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036578   0.009778  -0.087913
-    0SOL     H3    3   0.007067   0.087230   0.038772
-    1SOL     O4    4   0.037651   0.055741   0.325348
-    1SOL     H5    5  -0.029707   0.000792   0.285275
-    1SOL     H6    6   0.118410   0.031651   0.279961
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.067688  -0.033491   0.058813
-    0SOL     H3    3  -0.034296  -0.016371  -0.087853
-    1SOL     O4    4   0.268678  -0.165346   0.063250
-    1SOL     H5    5   0.227660  -0.160692   0.149611
-    1SOL     H6    6   0.346817  -0.218985   0.076655
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089799  -0.032139   0.008103
-    0SOL     H3    3   0.021784  -0.012674  -0.092343
-    1SOL     O4    4   0.043576  -0.274692   0.023010
-    1SOL     H5    5   0.018896  -0.311677   0.107777
-    1SOL     H6    6   0.048668  -0.180378   0.038543
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.033388  -0.088196  -0.016400
-    0SOL     H3    3   0.077649   0.051260   0.022481
-    1SOL     O4    4   0.118442  -0.250327  -0.006182
-    1SOL     H5    5   0.094400  -0.342962  -0.007972
-    1SOL     H6    6   0.169854  -0.240421   0.073949
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090587   0.010767  -0.028990
-    0SOL     H3    3  -0.001265   0.024861   0.092426
-    1SOL     O4    4   0.019407   0.099990   0.311166
-    1SOL     H5    5   0.083625   0.166981   0.287700
-    1SOL     H6    6   0.067078   0.017335   0.303555
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.027779   0.004523   0.091489
-    0SOL     H3    3  -0.047537   0.071055  -0.043055
-    1SOL     O4    4  -0.061034  -0.141704   0.243821
-    1SOL     H5    5  -0.117559  -0.145601   0.320970
-    1SOL     H6    6  -0.050786  -0.232999   0.216942
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028779   0.012308   0.090458
-    0SOL     H3    3  -0.080865   0.000670  -0.051213
-    1SOL     O4    4  -0.019564  -0.216893  -0.243186
-    1SOL     H5    5  -0.021668  -0.296767  -0.295893
-    1SOL     H6    6   0.070665  -0.185759  -0.250386
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068970   0.037963  -0.054445
-    0SOL     H3    3   0.029833   0.014143   0.089846
-    1SOL     O4    4   0.119040   0.046788  -0.243653
-    1SOL     H5    5   0.210039   0.017112  -0.242660
-    1SOL     H6    6   0.079739   0.001191  -0.318075
-  3.000000   3.000000   3.000000
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-    6
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-    6
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-    6
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-    1SOL     O4    4  -0.243129   0.000442   0.113640
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-    1SOL     H6    6  -0.240371  -0.071929   0.176227
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-    6
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-    6
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-    0SOL     H3    3  -0.064517   0.066660  -0.023588
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-    1SOL     H5    5  -0.226355   0.211273  -0.045988
-    1SOL     H6    6  -0.129264   0.252767  -0.154480
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-    6
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-    1SOL     H5    5   0.147451   0.061055   0.251169
-    1SOL     H6    6   0.175161   0.147024   0.372661
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-    6
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-    1SOL     O4    4  -0.377518   0.056357  -0.016115
-    1SOL     H5    5  -0.339175   0.069245   0.070638
-    1SOL     H6    6  -0.362334  -0.036128  -0.035565
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-    6
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-    0SOL     H3    3  -0.020497  -0.073517  -0.057770
-    1SOL     O4    4  -0.038772  -0.233864  -0.166020
-    1SOL     H5    5   0.013616  -0.261541  -0.241198
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.033804   0.272478  -0.069103
-    1SOL     H5    5   0.025424   0.312851  -0.005666
-    1SOL     H6    6  -0.075555   0.201093  -0.020903
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024700  -0.073828  -0.055692
-    0SOL     H3    3   0.095571  -0.003739   0.003817
-    1SOL     O4    4   0.000546  -0.111934   0.236502
-    1SOL     H5    5   0.082677  -0.160182   0.227072
-    1SOL     H6    6  -0.006457  -0.060522   0.156065
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052645  -0.064069  -0.047812
-    0SOL     H3    3  -0.080356  -0.046921   0.022442
-    1SOL     O4    4   0.163378  -0.249344   0.182643
-    1SOL     H5    5   0.255705  -0.256093   0.206984
-    1SOL     H6    6   0.164110  -0.243538   0.087102
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053979  -0.019703   0.076553
-    0SOL     H3    3  -0.089519  -0.018616   0.028322
-    1SOL     O4    4   0.264047   0.009804  -0.228793
-    1SOL     H5    5   0.298442  -0.077159  -0.208379
-    1SOL     H6    6   0.287117   0.063191  -0.152767
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087191   0.033346   0.021170
-    0SOL     H3    3   0.058430   0.074296   0.015112
-    1SOL     O4    4  -0.217198   0.148296   0.017944
-    1SOL     H5    5  -0.225325   0.201385  -0.061289
-    1SOL     H6    6  -0.275113   0.073599   0.002828
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064559  -0.024886  -0.066145
-    0SOL     H3    3  -0.024992  -0.049773   0.077848
-    1SOL     O4    4   0.051401  -0.216513  -0.234257
-    1SOL     H5    5  -0.028871  -0.164724  -0.240307
-    1SOL     H6    6   0.060754  -0.235466  -0.140900
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001157   0.070024  -0.065251
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-    1SOL     O4    4   0.130426   0.323529  -0.035569
-    1SOL     H5    5   0.194938   0.381473  -0.076103
-    1SOL     H6    6   0.148975   0.237269  -0.072685
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049593  -0.020880   0.079163
-    0SOL     H3    3   0.066339   0.027280  -0.063382
-    1SOL     O4    4   0.142697   0.246453  -0.288354
-    1SOL     H5    5   0.128265   0.268806  -0.380302
-    1SOL     H6    6   0.216741   0.300965  -0.261741
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011274   0.080973   0.049785
-    0SOL     H3    3  -0.086513  -0.040953   0.000874
-    1SOL     O4    4  -0.081823   0.264270   0.107266
-    1SOL     H5    5  -0.037668   0.334034   0.155698
-    1SOL     H6    6  -0.148469   0.231573   0.167694
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066920  -0.048656   0.048132
-    0SOL     H3    3   0.041173   0.055829   0.065956
-    1SOL     O4    4  -0.163902   0.155539  -0.202692
-    1SOL     H5    5  -0.104728   0.118260  -0.137340
-    1SOL     H6    6  -0.106611   0.181806  -0.274735
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.034931   0.051339   0.072845
-    0SOL     H3    3   0.074890  -0.013219  -0.058130
-    1SOL     O4    4  -0.192260  -0.244815   0.013691
-    1SOL     H5    5  -0.165558  -0.321580   0.064252
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.209556  -0.148201  -0.108917
-    1SOL     H5    5  -0.294690  -0.111579  -0.084971
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-    6
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-    1SOL     O4    4  -0.032476  -0.000811   0.277053
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-    6
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-    6
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-    1SOL     O4    4  -0.015510  -0.077394   0.252615
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    1SOL     O4    4   0.281174   0.138347  -0.132662
-    1SOL     H5    5   0.281025   0.217549  -0.186414
-    1SOL     H6    6   0.275815   0.066536  -0.195724
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076996   0.055857   0.010675
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-    1SOL     O4    4  -0.043881  -0.167411  -0.201774
-    1SOL     H5    5  -0.013706  -0.107423  -0.133560
-    1SOL     H6    6   0.033322  -0.182533  -0.256303
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    0SOL     H3    3   0.069486  -0.050275   0.042502
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-    1SOL     H5    5  -0.178531  -0.004199   0.006223
-    1SOL     H6    6  -0.306843   0.063912   0.048835
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-    6
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-    1SOL     H5    5  -0.263927   0.091706  -0.159161
-    1SOL     H6    6  -0.191775   0.000904  -0.256464
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044206   0.074803  -0.040158
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-    1SOL     O4    4   0.127218   0.287971  -0.006689
-    1SOL     H5    5   0.135376   0.228126   0.067570
-    1SOL     H6    6   0.050772   0.341703   0.014076
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005203   0.079399   0.053207
-    0SOL     H3    3   0.090286  -0.031365  -0.005198
-    1SOL     O4    4  -0.007167   0.205648   0.169675
-    1SOL     H5    5  -0.001690   0.162552   0.254969
-    1SOL     H6    6  -0.098131   0.234751   0.163288
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.090643  -0.026872   0.014966
-    0SOL     H3    3   0.004364   0.095197  -0.008990
-    1SOL     O4    4  -0.375179   0.002651   0.032027
-    1SOL     H5    5  -0.450520   0.050835   0.066150
-    1SOL     H6    6  -0.413331  -0.072246  -0.013768
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056134   0.048777   0.060267
-    0SOL     H3    3  -0.087994   0.033922   0.016390
-    1SOL     O4    4  -0.272888   0.000526   0.064467
-    1SOL     H5    5  -0.328728  -0.046287   0.002396
-    1SOL     H6    6  -0.219306  -0.067778   0.104787
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.049778   0.059310  -0.056274
-    0SOL     H3    3   0.006188  -0.081227  -0.050261
-    1SOL     O4    4  -0.171250  -0.118490   0.188853
-    1SOL     H5    5  -0.247885  -0.148156   0.139766
-    1SOL     H6    6  -0.096973  -0.138935   0.132044
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.059478  -0.063457   0.039973
-    0SOL     H3    3  -0.005162   0.076843   0.056840
-    1SOL     O4    4  -0.032641   0.174419   0.216565
-    1SOL     H5    5  -0.006222   0.260653   0.248629
-    1SOL     H6    6  -0.118542   0.159419   0.256042
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070859  -0.064264   0.003373
-    0SOL     H3    3   0.011269   0.028086   0.090810
-    1SOL     O4    4  -0.238420  -0.157693  -0.001301
-    1SOL     H5    5  -0.253343  -0.099178  -0.075569
-    1SOL     H6    6  -0.210842  -0.240309  -0.041004
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.038205  -0.072567  -0.049363
-    0SOL     H3    3  -0.075757  -0.038310   0.044222
-    1SOL     O4    4  -0.188132   0.076304  -0.242037
-    1SOL     H5    5  -0.096577   0.086253  -0.215943
-    1SOL     H6    6  -0.235695   0.066695  -0.159528
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004493  -0.080903  -0.050959
-    0SOL     H3    3  -0.004461  -0.028790   0.091179
-    1SOL     O4    4  -0.298422  -0.061707   0.272979
-    1SOL     H5    5  -0.325914   0.024746   0.303514
-    1SOL     H6    6  -0.356128  -0.080484   0.198954
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005022  -0.017892   0.093899
-    0SOL     H3    3   0.013245  -0.085890  -0.040122
-    1SOL     O4    4  -0.330098   0.069922   0.101173
-    1SOL     H5    5  -0.288975   0.138015   0.154413
-    1SOL     H6    6  -0.416819   0.104749   0.080466
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.036531   0.062458  -0.062664
-    0SOL     H3    3  -0.075141  -0.051834   0.028799
-    1SOL     O4    4   0.097298  -0.183638  -0.154617
-    1SOL     H5    5   0.087552  -0.119343  -0.084379
-    1SOL     H6    6   0.072887  -0.136228  -0.234108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/497/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018730  -0.014482   0.092746
-    0SOL     H3    3   0.013726  -0.087747  -0.035698
-    1SOL     O4    4  -0.344070   0.107331   0.131811
-    1SOL     H5    5  -0.313774   0.058237   0.208193
-    1SOL     H6    6  -0.290070   0.186361   0.131113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/498/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.050995   0.015309  -0.079546
-    0SOL     H3    3   0.026217   0.087408   0.028893
-    1SOL     O4    4  -0.153282  -0.066454   0.209710
-    1SOL     H5    5  -0.102307  -0.063503   0.128746
-    1SOL     H6    6  -0.099338  -0.020056   0.273738
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/499/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015129   0.094453   0.003471
-    0SOL     H3    3   0.067611  -0.032975  -0.059192
-    1SOL     O4    4  -0.181287   0.028263  -0.311027
-    1SOL     H5    5  -0.150725  -0.061582  -0.298533
-    1SOL     H6    6  -0.102185   0.081709  -0.304042
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045881  -0.038204  -0.074818
-    0SOL     H3    3  -0.003234   0.094399  -0.015516
-    1SOL     O4    4  -0.153504   0.050713   0.237087
-    1SOL     H5    5  -0.066237   0.022535   0.264527
-    1SOL     H6    6  -0.166474   0.009086   0.151874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/501/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072323   0.061735  -0.010977
-    0SOL     H3    3  -0.058913   0.018816  -0.073058
-    1SOL     O4    4  -0.075736  -0.249171   0.008508
-    1SOL     H5    5  -0.026708  -0.305626   0.068269
-    1SOL     H6    6  -0.030776  -0.164782   0.012904
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/502/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.048312  -0.004634   0.082503
-    0SOL     H3    3   0.089883  -0.023049   0.023496
-    1SOL     O4    4   0.007747  -0.043414   0.275925
-    1SOL     H5    5   0.038557   0.014194   0.345885
-    1SOL     H6    6   0.025818  -0.131802   0.307914
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/503/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093701   0.017446  -0.008840
-    0SOL     H3    3  -0.008215  -0.094403  -0.013522
-    1SOL     O4    4  -0.164187   0.039233   0.211328
-    1SOL     H5    5  -0.204616   0.122562   0.187160
-    1SOL     H6    6  -0.114104   0.013512   0.133917
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/504/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.019696  -0.047197   0.080913
-    0SOL     H3    3  -0.062893   0.072140  -0.001620
-    1SOL     O4    4  -0.005993   0.276591  -0.080297
-    1SOL     H5    5   0.071712   0.263323  -0.134595
-    1SOL     H6    6  -0.073342   0.306096  -0.141583
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/505/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003750   0.021157   0.093277
-    0SOL     H3    3  -0.074491   0.050227  -0.033025
-    1SOL     O4    4  -0.166789   0.182211  -0.201834
-    1SOL     H5    5  -0.122108   0.247794  -0.148309
-    1SOL     H6    6  -0.105480   0.163415  -0.272899
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/506/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.037387   0.074212   0.047509
-    0SOL     H3    3   0.034865   0.008302  -0.088757
-    1SOL     O4    4  -0.270504  -0.057950   0.059186
-    1SOL     H5    5  -0.257519  -0.085349   0.149977
-    1SOL     H6    6  -0.181965  -0.046019   0.024823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/507/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083277   0.015295  -0.044646
-    0SOL     H3    3  -0.030025  -0.084491  -0.033498
-    1SOL     O4    4   0.293927   0.052565  -0.021028
-    1SOL     H5    5   0.310486   0.136719  -0.063527
-    1SOL     H6    6   0.357478  -0.007161  -0.060478
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/508/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.026673   0.022443  -0.089147
-    0SOL     H3    3  -0.071315  -0.062824  -0.011385
-    1SOL     O4    4  -0.115435   0.224294   0.090144
-    1SOL     H5    5  -0.134511   0.183376   0.174549
-    1SOL     H6    6  -0.061705   0.159980   0.043894
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/509/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077574  -0.047915   0.029133
-    0SOL     H3    3  -0.071057  -0.063922   0.005225
-    1SOL     O4    4   0.157182   0.006856  -0.223165
-    1SOL     H5    5   0.222314   0.069929  -0.192473
-    1SOL     H6    6   0.093438   0.001608  -0.151951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/510/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055507   0.033442  -0.070448
-    0SOL     H3    3  -0.089407   0.015178  -0.030632
-    1SOL     O4    4   0.093610  -0.228769   0.104967
-    1SOL     H5    5   0.050281  -0.156535   0.059501
-    1SOL     H6    6   0.171770  -0.246606   0.052667
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/511/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012275   0.045456   0.083339
-    0SOL     H3    3   0.069270  -0.063728   0.017399
-    1SOL     O4    4   0.172136   0.114207  -0.197671
-    1SOL     H5    5   0.223336   0.053315  -0.250896
-    1SOL     H6    6   0.113318   0.058199  -0.147016
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/512/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053442  -0.008869  -0.078915
-    0SOL     H3    3  -0.024854  -0.089692   0.022358
-    1SOL     O4    4   0.224609   0.069714   0.138192
-    1SOL     H5    5   0.131679   0.066776   0.115439
-    1SOL     H6    6   0.226735   0.053700   0.232539
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/513/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.028673   0.089692   0.017191
-    0SOL     H3    3   0.005202  -0.009038  -0.095150
-    1SOL     O4    4  -0.111623  -0.187932   0.191244
-    1SOL     H5    5  -0.142984  -0.139094   0.115128
-    1SOL     H6    6  -0.030290  -0.144005   0.216098
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/514/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.092649   0.023765  -0.003703
-    0SOL     H3    3   0.002322  -0.091813  -0.026969
-    1SOL     O4    4   0.080537   0.120787  -0.239053
-    1SOL     H5    5   0.079210   0.216276  -0.232539
-    1SOL     H6    6   0.053686   0.090440  -0.152333
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069136  -0.066096  -0.003722
-    0SOL     H3    3   0.059320  -0.023271  -0.071428
-    1SOL     O4    4   0.187665  -0.047482  -0.158181
-    1SOL     H5    5   0.239575  -0.098085  -0.095676
-    1SOL     H6    6   0.238571   0.032280  -0.172637
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/516/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076938  -0.025355  -0.050990
-    0SOL     H3    3   0.001396  -0.058108   0.076052
-    1SOL     O4    4   0.180086  -0.027989  -0.173428
-    1SOL     H5    5   0.237317  -0.098348  -0.142824
-    1SOL     H6    6   0.225584   0.052477  -0.148581
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.028740   0.080233  -0.043577
-    0SOL     H3    3  -0.015924  -0.061715  -0.071415
-    1SOL     O4    4  -0.034603  -0.040960   0.267220
-    1SOL     H5    5   0.005027   0.003622   0.342081
-    1SOL     H6    6  -0.011139   0.013196   0.191861
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.038063  -0.053100  -0.069957
-    0SOL     H3    3   0.092991  -0.022688  -0.000538
-    1SOL     O4    4  -0.072331   0.009727   0.272063
-    1SOL     H5    5  -0.045912   0.013184   0.180126
-    1SOL     H6    6  -0.096682   0.099796   0.293439
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052721   0.053451  -0.059378
-    0SOL     H3    3  -0.063109  -0.058210   0.042322
-    1SOL     O4    4  -0.169731  -0.179597   0.110040
-    1SOL     H5    5  -0.164423  -0.274464   0.098446
-    1SOL     H6    6  -0.259284  -0.157289   0.084645
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080324   0.049358   0.016558
-    0SOL     H3    3   0.011263  -0.081359   0.049155
-    1SOL     O4    4   0.023104  -0.209866  -0.312253
-    1SOL     H5    5   0.113994  -0.194209  -0.286639
-    1SOL     H6    6   0.011101  -0.157405  -0.391411
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.046105  -0.013085   0.082858
-    0SOL     H3    3   0.060851   0.071792   0.017474
-    1SOL     O4    4  -0.222864   0.151577  -0.101258
-    1SOL     H5    5  -0.173097   0.202591  -0.165157
-    1SOL     H6    6  -0.160546   0.086685  -0.068580
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065521  -0.055829  -0.041862
-    0SOL     H3    3  -0.050568   0.071447   0.038736
-    1SOL     O4    4  -0.008286   0.085636  -0.354746
-    1SOL     H5    5  -0.012073   0.152854  -0.422789
-    1SOL     H6    6  -0.099334   0.073673  -0.327737
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048598   0.041621  -0.071191
-    0SOL     H3    3  -0.064851   0.065347   0.026202
-    1SOL     O4    4  -0.061569  -0.265042  -0.091607
-    1SOL     H5    5  -0.025035  -0.177110  -0.081833
-    1SOL     H6    6  -0.007126  -0.306334  -0.158640
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036403   0.086778  -0.017514
-    0SOL     H3    3   0.076544  -0.056767   0.008990
-    1SOL     O4    4  -0.093233  -0.266953  -0.116042
-    1SOL     H5    5  -0.046442  -0.297906  -0.038487
-    1SOL     H6    6  -0.109962  -0.346127  -0.167168
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074619   0.041318  -0.043442
-    0SOL     H3    3  -0.029874  -0.015296   0.089643
-    1SOL     O4    4   0.166940  -0.176267  -0.146880
-    1SOL     H5    5   0.136816  -0.144939  -0.232165
-    1SOL     H6    6   0.112134  -0.129910  -0.083559
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/526/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030692   0.083912  -0.034338
-    0SOL     H3    3  -0.095243   0.003894  -0.008715
-    1SOL     O4    4  -0.250686  -0.111972  -0.153967
-    1SOL     H5    5  -0.276606  -0.058085  -0.228711
-    1SOL     H6    6  -0.322638  -0.102615  -0.091535
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/527/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092217  -0.012601   0.022349
-    0SOL     H3    3  -0.020143  -0.071718  -0.060110
-    1SOL     O4    4   0.273446   0.000775   0.094468
-    1SOL     H5    5   0.328465  -0.074940   0.114532
-    1SOL     H6    6   0.269380   0.049903   0.176519
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/528/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.026344   0.086728  -0.030767
-    0SOL     H3    3   0.031056  -0.059982  -0.067824
-    1SOL     O4    4  -0.277954  -0.052432  -0.069490
-    1SOL     H5    5  -0.300358   0.014936  -0.005287
-    1SOL     H6    6  -0.185290  -0.070626  -0.053842
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/529/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048814  -0.075171   0.033599
-    0SOL     H3    3   0.066808   0.066491  -0.016672
-    1SOL     O4    4   0.039948  -0.053904   0.324740
-    1SOL     H5    5   0.001870   0.018007   0.274330
-    1SOL     H6    6   0.014245  -0.132851   0.277105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/530/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078534   0.049999   0.022243
-    0SOL     H3    3   0.032356  -0.073756  -0.051724
-    1SOL     O4    4   0.180917   0.110058   0.188343
-    1SOL     H5    5   0.269209   0.142192   0.170058
-    1SOL     H6    6   0.178885   0.098190   0.283303
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-    6
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-    0SOL     H2    2   0.094364  -0.010407  -0.012224
-    0SOL     H3    3  -0.035074   0.006993  -0.088787
-    1SOL     O4    4  -0.086227   0.017499  -0.280236
-    1SOL     H5    5  -0.180517   0.021122  -0.296317
-    1SOL     H6    6  -0.058499  -0.065650  -0.318703
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067224   0.068042  -0.003661
-    0SOL     H3    3  -0.043683   0.004822  -0.085035
-    1SOL     O4    4   0.102978  -0.188587   0.245901
-    1SOL     H5    5   0.156402  -0.136352   0.186070
-    1SOL     H6    6   0.160154  -0.260611   0.272468
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091837  -0.020767  -0.017234
-    0SOL     H3    3  -0.045631  -0.083654  -0.009064
-    1SOL     O4    4  -0.107427  -0.272127   0.022100
-    1SOL     H5    5  -0.187061  -0.288250  -0.028505
-    1SOL     H6    6  -0.042284  -0.330797  -0.016325
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.031381   0.018761  -0.088462
-    0SOL     H3    3   0.093583  -0.016951  -0.010825
-    1SOL     O4    4   0.267184  -0.042857  -0.040013
-    1SOL     H5    5   0.293207  -0.001417  -0.122280
-    1SOL     H6    6   0.319437  -0.122951  -0.035906
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/535/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.038871  -0.016933  -0.085817
-    0SOL     H3    3   0.058928  -0.043034   0.061951
-    1SOL     O4    4  -0.253929  -0.011104  -0.076493
-    1SOL     H5    5  -0.227729   0.048019  -0.147065
-    1SOL     H6    6  -0.175976  -0.018843  -0.021486
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/536/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.027301   0.066873   0.062809
-    0SOL     H3    3   0.002064   0.045543  -0.084166
-    1SOL     O4    4  -0.006251   0.208288  -0.186016
-    1SOL     H5    5  -0.092779   0.215252  -0.226349
-    1SOL     H6    6   0.004275   0.290133  -0.137509
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/537/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.037408   0.085888  -0.019654
-    0SOL     H3    3  -0.075089  -0.053623   0.025465
-    1SOL     O4    4   0.186832   0.159709  -0.209035
-    1SOL     H5    5   0.175233   0.151420  -0.114383
-    1SOL     H6    6   0.177906   0.253456  -0.226188
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/538/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095263  -0.005651   0.007444
-    0SOL     H3    3   0.023688  -0.071164  -0.059472
-    1SOL     O4    4   0.011338   0.256057  -0.092175
-    1SOL     H5    5   0.065173   0.303223  -0.028617
-    1SOL     H6    6   0.016682   0.164468  -0.064877
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/539/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.038096   0.022960   0.084758
-    0SOL     H3    3   0.085912   0.042207   0.000078
-    1SOL     O4    4  -0.045420  -0.276568  -0.140225
-    1SOL     H5    5  -0.039152  -0.369127  -0.116649
-    1SOL     H6    6  -0.054130  -0.276620  -0.235548
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/540/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024032  -0.063289   0.067670
-    0SOL     H3    3  -0.083545   0.028164  -0.037274
-    1SOL     O4    4  -0.263406   0.027936   0.194364
-    1SOL     H5    5  -0.229172  -0.060578   0.181886
-    1SOL     H6    6  -0.327712   0.038891   0.124314
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/541/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093799   0.004407  -0.018564
-    0SOL     H3    3   0.022358   0.087558   0.031561
-    1SOL     O4    4   0.136575  -0.228521  -0.273718
-    1SOL     H5    5   0.049150  -0.210742  -0.308405
-    1SOL     H6    6   0.180772  -0.276741  -0.343602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/542/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.026766   0.026221  -0.088081
-    0SOL     H3    3  -0.081479   0.047770   0.015541
-    1SOL     O4    4   0.317378  -0.115916   0.091952
-    1SOL     H5    5   0.387242  -0.180036   0.078914
-    1SOL     H6    6   0.239259  -0.168621   0.108743
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063714   0.018847  -0.068903
-    0SOL     H3    3  -0.061915   0.072890  -0.003975
-    1SOL     O4    4   0.180842   0.062073   0.186341
-    1SOL     H5    5   0.127691   0.051451   0.107446
-    1SOL     H6    6   0.133622   0.126944   0.238536
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/544/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073840   0.060744   0.004497
-    0SOL     H3    3   0.048895   0.027365  -0.077606
-    1SOL     O4    4  -0.027498   0.294283  -0.168579
-    1SOL     H5    5  -0.045940   0.366885  -0.108988
-    1SOL     H6    6   0.067644   0.284251  -0.165462
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/545/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024798   0.018935  -0.090492
-    0SOL     H3    3  -0.066051   0.044787   0.052856
-    1SOL     O4    4  -0.033111   0.030942  -0.256729
-    1SOL     H5    5  -0.020995   0.124632  -0.241311
-    1SOL     H6    6   0.001120   0.016513  -0.344946
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/546/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003406  -0.010779  -0.095050
-    0SOL     H3    3  -0.013792  -0.088153   0.034658
-    1SOL     O4    4   0.044469  -0.031602  -0.265287
-    1SOL     H5    5   0.138458  -0.015467  -0.257047
-    1SOL     H6    6   0.006804   0.054562  -0.283160
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/547/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.088143   0.031771   0.019588
-    0SOL     H3    3   0.013670  -0.072989  -0.060399
-    1SOL     O4    4   0.026846  -0.201749  -0.165183
-    1SOL     H5    5   0.096462  -0.226578  -0.226005
-    1SOL     H6    6  -0.051374  -0.194548  -0.219883
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/548/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009000  -0.042079  -0.085502
-    0SOL     H3    3  -0.020477  -0.069078   0.063018
-    1SOL     O4    4   0.287595   0.051535  -0.036288
-    1SOL     H5    5   0.330823  -0.026464  -0.001505
-    1SOL     H6    6   0.195512   0.040524  -0.012583
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/549/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074271   0.044000  -0.041354
-    0SOL     H3    3   0.006111  -0.090699  -0.029979
-    1SOL     O4    4  -0.055668   0.025719   0.275331
-    1SOL     H5    5   0.039501   0.021069   0.284473
-    1SOL     H6    6  -0.071980   0.004974   0.183321
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084911  -0.010904   0.042820
-    0SOL     H3    3  -0.054221  -0.070188   0.036001
-    1SOL     O4    4   0.106527   0.135649  -0.229545
-    1SOL     H5    5   0.200382   0.134597  -0.248318
-    1SOL     H6    6   0.096445   0.077332  -0.154314
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030542  -0.084079   0.034062
-    0SOL     H3    3   0.057186   0.064778   0.041181
-    1SOL     O4    4  -0.078181   0.168728  -0.221329
-    1SOL     H5    5  -0.048787   0.102514  -0.158767
-    1SOL     H6    6  -0.152422   0.128160  -0.266103
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074553  -0.022970   0.055466
-    0SOL     H3    3   0.017057   0.090244  -0.026970
-    1SOL     O4    4   0.177035  -0.090014   0.209920
-    1SOL     H5    5   0.185778  -0.025973   0.280521
-    1SOL     H6    6   0.265850  -0.100342   0.175751
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063650   0.060092  -0.038728
-    0SOL     H3    3   0.003045   0.024585   0.092459
-    1SOL     O4    4   0.271455   0.133528  -0.092669
-    1SOL     H5    5   0.221266   0.084341  -0.157662
-    1SOL     H6    6   0.352056   0.158036  -0.138113
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015784  -0.015173  -0.093182
-    0SOL     H3    3  -0.049302  -0.076822   0.028810
-    1SOL     O4    4   0.216347  -0.163787   0.230399
-    1SOL     H5    5   0.154404  -0.201533   0.292854
-    1SOL     H6    6   0.291334  -0.137601   0.283818
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022077   0.002937  -0.093093
-    0SOL     H3    3   0.057360   0.075440   0.013453
-    1SOL     O4    4  -0.200983   0.117466   0.173693
-    1SOL     H5    5  -0.133242   0.057243   0.142923
-    1SOL     H6    6  -0.263038   0.122940   0.101019
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055872  -0.060700   0.048540
-    0SOL     H3    3   0.055646   0.032446  -0.070803
-    1SOL     O4    4   0.080322   0.151521  -0.211521
-    1SOL     H5    5   0.174178   0.162845  -0.226521
-    1SOL     H6    6   0.044507   0.240198  -0.215529
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018330  -0.048375   0.080537
-    0SOL     H3    3  -0.062260   0.067762   0.026349
-    1SOL     O4    4   0.200075   0.015233  -0.174979
-    1SOL     H5    5   0.133493  -0.009267  -0.110722
-    1SOL     H6    6   0.228321  -0.067879  -0.213150
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015358  -0.092426  -0.019593
-    0SOL     H3    3   0.057276   0.018598   0.074403
-    1SOL     O4    4  -0.218100   0.139771  -0.033134
-    1SOL     H5    5  -0.266629   0.120808  -0.113431
-    1SOL     H6    6  -0.145481   0.077414  -0.033688
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012946  -0.031035  -0.089619
-    0SOL     H3    3   0.068437   0.066524  -0.007292
-    1SOL     O4    4   0.088377  -0.152321   0.217922
-    1SOL     H5    5   0.025309  -0.192980   0.277349
-    1SOL     H6    6   0.034821  -0.115331   0.147738
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008480  -0.029018  -0.090820
-    0SOL     H3    3  -0.093099   0.019718   0.010300
-    1SOL     O4    4  -0.287846   0.051007  -0.130223
-    1SOL     H5    5  -0.255231   0.140805  -0.124312
-    1SOL     H6    6  -0.382871   0.059422  -0.122368
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055265  -0.051690   0.058620
-    0SOL     H3    3   0.057223   0.022387  -0.073394
-    1SOL     O4    4  -0.175746  -0.066971   0.239597
-    1SOL     H5    5  -0.177605  -0.151695   0.195093
-    1SOL     H6    6  -0.087107  -0.060470   0.275138
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.025980  -0.043682   0.081113
-    0SOL     H3    3  -0.077347   0.051052   0.023947
-    1SOL     O4    4  -0.132500  -0.230816  -0.113457
-    1SOL     H5    5  -0.166937  -0.191246  -0.193523
-    1SOL     H6    6  -0.079109  -0.162017  -0.073728
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081794  -0.022590  -0.044291
-    0SOL     H3    3   0.019414   0.081615   0.046092
-    1SOL     O4    4  -0.137353   0.156125  -0.193665
-    1SOL     H5    5  -0.224519   0.135763  -0.227573
-    1SOL     H6    6  -0.102710   0.071842  -0.164364
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010706  -0.095115   0.000918
-    0SOL     H3    3   0.058918   0.018226   0.073204
-    1SOL     O4    4   0.304522  -0.046770   0.008045
-    1SOL     H5    5   0.283957   0.032781  -0.041059
-    1SOL     H6    6   0.380006  -0.022918   0.061855
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.090600   0.003408   0.030697
-    0SOL     H3    3  -0.040692  -0.068626   0.052886
-    1SOL     O4    4  -0.086595   0.237822   0.078983
-    1SOL     H5    5  -0.080524   0.146817   0.049941
-    1SOL     H6    6  -0.045944   0.288264   0.008517
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063325  -0.003822  -0.071678
-    0SOL     H3    3   0.019572   0.093185   0.009788
-    1SOL     O4    4   0.251039  -0.147693  -0.122332
-    1SOL     H5    5   0.177513  -0.144240  -0.061140
-    1SOL     H6    6   0.285829  -0.236384  -0.113065
-  3.000000   3.000000   3.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    0SOL     H3    3   0.045004  -0.081408   0.022576
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-    6
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-    1SOL     O4    4  -0.136705  -0.267772  -0.152865
-    1SOL     H5    5  -0.177822  -0.212498  -0.086407
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-    6
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-    1SOL     H5    5   0.109644   0.051551   0.139841
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-    6
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-    1SOL     O4    4   0.113756  -0.217384  -0.101715
-    1SOL     H5    5   0.066192  -0.288177  -0.058261
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-    6
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-    1SOL     O4    4  -0.112849  -0.231938   0.058154
-    1SOL     H5    5  -0.066944  -0.314683   0.043725
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-    6
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-    1SOL     H5    5  -0.300048  -0.132411  -0.127523
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.117581  -0.279136   0.084674
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.133772   0.257092   0.090011
-    1SOL     H5    5  -0.135120   0.256328   0.185718
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-    6
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-    1SOL     H5    5  -0.218823  -0.268867   0.120118
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4  -0.078177   0.338431   0.058723
-    1SOL     H5    5  -0.129192   0.386695  -0.006319
-    1SOL     H6    6  -0.064140   0.401202   0.129611
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.090110   0.018781   0.026264
-    1SOL     O4    4  -0.193401   0.180178   0.095511
-    1SOL     H5    5  -0.277779   0.182208   0.050360
-    1SOL     H6    6  -0.145456   0.255104   0.060159
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.035189   0.020868  -0.086537
-    1SOL     O4    4  -0.060012   0.140851  -0.222494
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-    1SOL     H6    6   0.034643   0.146644  -0.235501
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092820   0.010331  -0.020978
-    0SOL     H3    3  -0.045011   0.012359  -0.083568
-    1SOL     O4    4  -0.191050   0.052168  -0.195749
-    1SOL     H5    5  -0.200274   0.147056  -0.187175
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025940  -0.061429  -0.068673
-    0SOL     H3    3  -0.063326  -0.014461   0.070306
-    1SOL     O4    4  -0.042868  -0.202860  -0.176324
-    1SOL     H5    5  -0.134643  -0.228118  -0.186409
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024472   0.074402  -0.055025
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-    1SOL     O4    4   0.019918   0.182007  -0.204207
-    1SOL     H5    5   0.113104   0.172024  -0.223674
-    1SOL     H6    6  -0.024230   0.159956  -0.286226
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018666   0.072824   0.059250
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.047089   0.299921   0.017341
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.155276  -0.195026  -0.198751
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.042266  -0.033424  -0.079113
-    1SOL     O4    4  -0.189341  -0.066294  -0.165387
-    1SOL     H5    5  -0.195198  -0.154161  -0.202902
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094441   0.006850  -0.014013
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-    1SOL     H5    5  -0.328107   0.010225  -0.093829
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.343842   0.075052  -0.161773
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.130003   0.278483  -0.053785
-    1SOL     H6    6   0.022266   0.174643  -0.030789
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-    6
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-    1SOL     H5    5   0.073238   0.162309  -0.412231
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.024341  -0.270424   0.123865
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-    6
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-    1SOL     H5    5   0.170374  -0.303645  -0.081785
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-    6
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-    1SOL     O4    4  -0.287011   0.034111  -0.073894
-    1SOL     H5    5  -0.200240   0.020555  -0.035821
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-    6
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-    1SOL     O4    4  -0.048793  -0.180387  -0.209156
-    1SOL     H5    5  -0.046785  -0.275936  -0.214508
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.089493   0.008973   0.032754
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-    1SOL     O4    4   0.013742  -0.309184   0.147618
-    1SOL     H5    5  -0.081865  -0.305849   0.144388
-    1SOL     H6    6   0.037876  -0.243176   0.212602
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039329   0.074894  -0.044793
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-    1SOL     O4    4   0.095722   0.194980  -0.138679
-    1SOL     H5    5   0.076755   0.288787  -0.136977
-    1SOL     H6    6   0.174770   0.187444  -0.192129
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.029415   0.056207  -0.071679
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-    1SOL     O4    4   0.281012   0.036930  -0.009358
-    1SOL     H5    5   0.338765   0.055656   0.064644
-    1SOL     H6    6   0.192732   0.041353   0.027377
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094434  -0.003930   0.015137
-    0SOL     H3    3  -0.016898  -0.068925  -0.064235
-    1SOL     O4    4   0.127590   0.129456  -0.328581
-    1SOL     H5    5   0.163830   0.040924  -0.325268
-    1SOL     H6    6   0.174326   0.177102  -0.259967
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024983  -0.090930  -0.016430
-    0SOL     H3    3  -0.028425   0.047214  -0.078263
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-    1SOL     H5    5  -0.181656   0.139952   0.216344
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-    6
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-    1SOL     O4    4  -0.278447  -0.048367  -0.041139
-    1SOL     H5    5  -0.296724  -0.138010  -0.012989
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.012567  -0.082777   0.046394
-    1SOL     O4    4  -0.023614   0.289657   0.001340
-    1SOL     H5    5  -0.044995   0.198590   0.021636
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.006814  -0.079878   0.052302
-    1SOL     O4    4  -0.198375  -0.069484  -0.177893
-    1SOL     H5    5  -0.169428  -0.160300  -0.186659
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002510   0.090924   0.029815
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-    1SOL     O4    4   0.371985   0.040764  -0.002476
-    1SOL     H5    5   0.330897   0.027236  -0.087864
-    1SOL     H6    6   0.341950  -0.033035   0.050571
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.342586  -0.013881  -0.059999
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.268900   0.090906  -0.065176
-    1SOL     H6    6  -0.197555   0.016192   0.045488
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.007987  -0.053908   0.078692
-    1SOL     O4    4   0.157182  -0.036147  -0.235593
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.119104  -0.135111  -0.290933
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.192762  -0.049490  -0.192989
-    1SOL     H5    5   0.272454  -0.024211  -0.146379
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.064295   0.208657  -0.154921
-    1SOL     H5    5  -0.157765   0.212545  -0.175183
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.026412  -0.059638  -0.070058
-    0SOL     H3    3  -0.070344  -0.006234   0.064616
-    1SOL     O4    4  -0.015352  -0.157432  -0.215903
-    1SOL     H5    5   0.076657  -0.141090  -0.236630
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015432   0.063401   0.070032
-    0SOL     H3    3  -0.017983  -0.082219   0.045595
-    1SOL     O4    4   0.037997   0.149766   0.209500
-    1SOL     H5    5   0.011067   0.232536   0.169672
-    1SOL     H6    6   0.133298   0.148745   0.200616
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081626  -0.010783  -0.048819
-    0SOL     H3    3  -0.068633  -0.005429  -0.066501
-    1SOL     O4    4  -0.299017   0.064775   0.113500
-    1SOL     H5    5  -0.270191  -0.025439   0.099614
-    1SOL     H6    6  -0.378425   0.056732   0.166340
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083724  -0.037248   0.027663
-    0SOL     H3    3   0.060225  -0.020603   0.071490
-    1SOL     O4    4  -0.285627  -0.063413   0.021194
-    1SOL     H5    5  -0.291323   0.031470   0.009925
-    1SOL     H6    6  -0.308603  -0.099188  -0.064565
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024910  -0.079680   0.046829
-    0SOL     H3    3  -0.027718   0.071305   0.057529
-    1SOL     O4    4  -0.054801   0.196719   0.185995
-    1SOL     H5    5  -0.140867   0.163161   0.211072
-    1SOL     H6    6   0.001783   0.175526   0.260233
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    1SOL     H5    5  -0.348049  -0.052068   0.094351
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-    6
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-    1SOL     H5    5  -0.097700  -0.267218  -0.104609
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-    6
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-    0SOL     H3    3  -0.003903   0.094366  -0.015561
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.211050  -0.047133   0.248332
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015467   0.059118   0.073676
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-    1SOL     O4    4   0.155320   0.024487  -0.220967
-    1SOL     H5    5   0.122765  -0.054360  -0.264392
-    1SOL     H6    6   0.125032   0.016322  -0.130534
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.033050  -0.089280   0.009958
-    0SOL     H3    3   0.051167   0.051618   0.062288
-    1SOL     O4    4   0.101662   0.199364   0.144490
-    1SOL     H5    5   0.042539   0.216955   0.217684
-    1SOL     H6    6   0.080590   0.266774   0.079883
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.084912   0.006824   0.043654
-    1SOL     O4    4  -0.100931   0.207090  -0.150602
-    1SOL     H5    5  -0.192252   0.178516  -0.148093
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079063  -0.019970   0.050126
-    0SOL     H3    3   0.071096  -0.039230   0.050682
-    1SOL     O4    4  -0.281435   0.028598  -0.001065
-    1SOL     H5    5  -0.273312   0.121848  -0.021083
-    1SOL     H6    6  -0.284861  -0.014113  -0.086659
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020014  -0.088708   0.029878
-    0SOL     H3    3  -0.067386   0.019128  -0.065235
-    1SOL     O4    4  -0.175610   0.079866  -0.211949
-    1SOL     H5    5  -0.254208   0.059768  -0.161148
-    1SOL     H6    6  -0.160114   0.001242  -0.264299
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093173  -0.012690  -0.017891
-    0SOL     H3    3  -0.024539   0.075748  -0.053126
-    1SOL     O4    4  -0.051794  -0.215585  -0.165371
-    1SOL     H5    5  -0.054662  -0.148349  -0.097302
-    1SOL     H6    6  -0.093249  -0.174636  -0.241312
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.056372   0.181007   0.218802
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056150  -0.035280  -0.069027
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-    1SOL     O4    4   0.075767  -0.142877   0.214873
-    1SOL     H5    5   0.166579  -0.127337   0.240833
-    1SOL     H6    6   0.024369  -0.119428   0.292144
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.066268   0.002357  -0.069031
-    0SOL     H3    3   0.032677  -0.064779   0.062436
-    1SOL     O4    4  -0.271032   0.035443  -0.062359
-    1SOL     H5    5  -0.181893   0.013282  -0.089295
-    1SOL     H6    6  -0.320546   0.039395  -0.144182
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028350  -0.048754  -0.077341
-    0SOL     H3    3  -0.003436  -0.063862   0.071219
-    1SOL     O4    4  -0.028325   0.231888   0.171882
-    1SOL     H5    5  -0.115221   0.235294   0.211880
-    1SOL     H6    6  -0.037193   0.168658   0.100569
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.021369  -0.090108   0.024211
-    0SOL     H3    3   0.052554   0.053853   0.059163
-    1SOL     O4    4   0.288271  -0.008813  -0.061839
-    1SOL     H5    5   0.262580   0.065286  -0.006961
-    1SOL     H6    6   0.229149  -0.004646  -0.137002
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082684   0.024427  -0.041582
-    0SOL     H3    3  -0.064403   0.003565  -0.070724
-    1SOL     O4    4  -0.388819   0.022177  -0.045455
-    1SOL     H5    5  -0.357321  -0.051745   0.006561
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    0SOL     H3    3  -0.003585   0.090182   0.031885
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-    1SOL     H5    5  -0.069421  -0.122038   0.113467
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.137782  -0.201766  -0.324400
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093674   0.019456  -0.002988
-    0SOL     H3    3  -0.018876  -0.012914   0.092948
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-    1SOL     H5    5  -0.105501  -0.008307  -0.138207
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.262674  -0.030668   0.008573
-    1SOL     H5    5  -0.339827  -0.008612  -0.043613
-    1SOL     H6    6  -0.262686  -0.126320   0.012184
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.003889  -0.087479  -0.038661
-    1SOL     O4    4  -0.180812   0.088236   0.187038
-    1SOL     H5    5  -0.114347   0.042819   0.135249
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.132268  -0.115959   0.296755
-    1SOL     H5    5   0.179542  -0.076371   0.223541
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.211456  -0.074107   0.168171
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.099031   0.202750  -0.150395
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-    1SOL     H6    6   0.028508   0.208409  -0.214868
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.034543   0.032987   0.082952
-    1SOL     O4    4   0.006727   0.329075  -0.023508
-    1SOL     H5    5   0.077542   0.303138   0.035439
-    1SOL     H6    6   0.024587   0.281735  -0.104763
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087562  -0.033343  -0.019583
-    0SOL     H3    3  -0.053874  -0.029456  -0.073432
-    1SOL     O4    4   0.100661  -0.146275  -0.249902
-    1SOL     H5    5   0.184951  -0.166583  -0.290462
-    1SOL     H6    6   0.084463  -0.219409  -0.190310
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001234   0.072028   0.063029
-    0SOL     H3    3  -0.081113   0.012586  -0.049240
-    1SOL     O4    4   0.001533   0.171639   0.200323
-    1SOL     H5    5   0.009709   0.266995   0.198677
-    1SOL     H6    6  -0.074316   0.155018   0.256296
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017751  -0.093269  -0.012171
-    0SOL     H3    3  -0.062727   0.003266   0.072229
-    1SOL     O4    4  -0.166556   0.026340   0.228515
-    1SOL     H5    5  -0.144485   0.112862   0.262999
-    1SOL     H6    6  -0.139945  -0.034481   0.297472
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010754  -0.092406  -0.022537
-    0SOL     H3    3   0.066023   0.016103   0.067409
-    1SOL     O4    4   0.097313  -0.275167  -0.037160
-    1SOL     H5    5   0.186356  -0.305427  -0.054989
-    1SOL     H6    6   0.041351  -0.347910  -0.064346
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056367  -0.002978   0.077306
-    0SOL     H3    3  -0.088620  -0.010952   0.034480
-    1SOL     O4    4   0.142130  -0.034988   0.206875
-    1SOL     H5    5   0.146462   0.044968   0.259320
-    1SOL     H6    6   0.224625  -0.036357   0.158346
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091586  -0.024845   0.012533
-    0SOL     H3    3   0.037851  -0.002744   0.087875
-    1SOL     O4    4  -0.292846  -0.006891  -0.011457
-    1SOL     H5    5  -0.302740  -0.082617  -0.069163
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-    6
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-    1SOL     O4    4   0.255946   0.208657   0.180557
-    1SOL     H5    5   0.255802   0.300760   0.154492
-    1SOL     H6    6   0.224338   0.161804   0.103304
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-    6
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-    1SOL     O4    4  -0.054005  -0.242263  -0.200542
-    1SOL     H5    5  -0.074124  -0.333187  -0.178397
-    1SOL     H6    6  -0.080932  -0.192271  -0.123483
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-    6
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-    0SOL     H3    3   0.072013   0.021492  -0.059284
-    1SOL     O4    4   0.081568  -0.200369   0.196582
-    1SOL     H5    5   0.109285  -0.287492   0.168236
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.198354   0.085067   0.170263
-    1SOL     H5    5  -0.192864   0.180483   0.164984
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-    6
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-    1SOL     O4    4   0.278356  -0.012309  -0.028481
-    1SOL     H5    5   0.300536   0.030342  -0.111253
-    1SOL     H6    6   0.343484   0.020396   0.033576
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-    6
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-    0SOL     H3    3  -0.079963   0.013901  -0.050745
-    1SOL     O4    4   0.024393  -0.260230   0.000658
-    1SOL     H5    5   0.090087  -0.293640  -0.060419
-    1SOL     H6    6   0.022993  -0.324265   0.071791
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.054671  -0.037255   0.069177
-    0SOL     H3    3  -0.025381  -0.047750  -0.078981
-    1SOL     O4    4   0.271802   0.025545   0.047527
-    1SOL     H5    5   0.179640   0.004940   0.031909
-    1SOL     H6    6   0.289909   0.099758  -0.010151
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.057770  -0.073605   0.020182
-    0SOL     H3    3   0.029639   0.070318   0.057786
-    1SOL     O4    4  -0.291978  -0.080587   0.158241
-    1SOL     H5    5  -0.288282   0.002086   0.110138
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084308  -0.017346  -0.041875
-    0SOL     H3    3  -0.064919  -0.021145  -0.067087
-    1SOL     O4    4  -0.165677  -0.080446  -0.201971
-    1SOL     H5    5  -0.256354  -0.049827  -0.200395
-    1SOL     H6    6  -0.125114  -0.031658  -0.273641
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091089  -0.026584  -0.012584
-    0SOL     H3    3   0.005635   0.086357   0.040903
-    1SOL     O4    4  -0.067828  -0.178841   0.196021
-    1SOL     H5    5  -0.049476  -0.118410   0.124094
-    1SOL     H6    6   0.000565  -0.160848   0.260526
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093229   0.018368  -0.011545
-    0SOL     H3    3  -0.012267  -0.086866  -0.038290
-    1SOL     O4    4   0.267906   0.006922   0.004792
-    1SOL     H5    5   0.307500   0.066166  -0.059120
-    1SOL     H6    6   0.318138   0.021131   0.085025
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084137  -0.034508   0.029874
-    0SOL     H3    3  -0.060756  -0.019890   0.071242
-    1SOL     O4    4   0.068443   0.255717  -0.017728
-    1SOL     H5    5  -0.001814   0.293056   0.035489
-    1SOL     H6    6   0.046121   0.162942  -0.025269
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093814  -0.016935  -0.008628
-    0SOL     H3    3   0.027871  -0.055760   0.072638
-    1SOL     O4    4  -0.041688   0.266459  -0.010623
-    1SOL     H5    5  -0.013328   0.175226  -0.004748
-    1SOL     H6    6   0.011311   0.312311   0.054576
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009952   0.092358   0.023094
-    0SOL     H3    3  -0.071704  -0.044013   0.045647
-    1SOL     O4    4   0.093055  -0.225208  -0.131182
-    1SOL     H5    5   0.184745  -0.243315  -0.151858
-    1SOL     H6    6   0.094293  -0.138607  -0.090428
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094649  -0.012044  -0.007671
-    0SOL     H3    3   0.010149   0.069684   0.064834
-    1SOL     O4    4   0.215103   0.061855  -0.187234
-    1SOL     H5    5   0.142840   0.029741  -0.133299
-    1SOL     H6    6   0.212458   0.007309  -0.265847
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005158  -0.046944  -0.083258
-    0SOL     H3    3   0.089644  -0.000722   0.033552
-    1SOL     O4    4   0.274378   0.022585  -0.000004
-    1SOL     H5    5   0.293061   0.111330  -0.030626
-    1SOL     H6    6   0.339003   0.006846   0.068830
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084506  -0.017284  -0.041501
-    0SOL     H3    3   0.011846  -0.072463   0.061410
-    1SOL     O4    4  -0.303125   0.065156   0.097591
-    1SOL     H5    5  -0.218707   0.080178   0.140137
-    1SOL     H6    6  -0.298031   0.114855   0.015943
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012945   0.093101  -0.018080
-    0SOL     H3    3   0.032672  -0.044411  -0.078246
-    1SOL     O4    4   0.080494  -0.220893  -0.140303
-    1SOL     H5    5   0.171312  -0.215670  -0.170088
-    1SOL     H6    6   0.083032  -0.281202  -0.066015
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052111   0.018258  -0.078188
-    0SOL     H3    3  -0.030272   0.063934   0.064485
-    1SOL     O4    4   0.165618  -0.334728  -0.148604
-    1SOL     H5    5   0.160936  -0.422735  -0.185955
-    1SOL     H6    6   0.157518  -0.348265  -0.054193
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012252   0.093791   0.014678
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-    1SOL     O4    4  -0.260156  -0.069476  -0.066486
-    1SOL     H5    5  -0.285677  -0.119522   0.011014
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.280502   0.198334  -0.158988
-    1SOL     H5    5   0.200779   0.211989  -0.210174
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.001129   0.095568   0.005278
-    1SOL     O4    4  -0.277440   0.046491  -0.148309
-    1SOL     H5    5  -0.245723   0.098044  -0.074156
-    1SOL     H6    6  -0.250967  -0.043272  -0.128205
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.043275  -0.004822   0.085243
-    0SOL     H3    3   0.009567  -0.087855  -0.036774
-    1SOL     O4    4   0.048774  -0.210095  -0.145444
-    1SOL     H5    5   0.137961  -0.186012  -0.170506
-    1SOL     H6    6  -0.003907  -0.191196  -0.223097
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020812   0.079737  -0.048695
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-    1SOL     O4    4   0.195397  -0.021035  -0.180107
-    1SOL     H5    5   0.287534  -0.046979  -0.180321
-    1SOL     H6    6   0.161231  -0.054516  -0.097197
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.066005  -0.030594  -0.062207
-    1SOL     O4    4  -0.010950  -0.169035   0.217221
-    1SOL     H5    5  -0.003084  -0.101586   0.149760
-    1SOL     H6    6  -0.105169  -0.183653   0.225671
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004176  -0.093451  -0.020294
-    0SOL     H3    3  -0.064281   0.012285   0.069852
-    1SOL     O4    4   0.170395   0.032474   0.199241
-    1SOL     H5    5   0.146352   0.118945   0.232514
-    1SOL     H6    6   0.103874   0.012791   0.133288
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.056060  -0.016119   0.075894
-    1SOL     O4    4   0.259298   0.033240   0.039681
-    1SOL     H5    5   0.169568   0.001522   0.049920
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.058321  -0.046999   0.059599
-    1SOL     O4    4   0.216242  -0.080881   0.163942
-    1SOL     H5    5   0.284474  -0.054514   0.102204
-    1SOL     H6    6   0.214811  -0.011050   0.229392
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.005250   0.067775  -0.067389
-    1SOL     O4    4   0.105458   0.306458   0.139853
-    1SOL     H5    5   0.013601   0.307686   0.112963
-    1SOL     H6    6   0.153689   0.333629   0.061765
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051690   0.033563   0.073239
-    0SOL     H3    3   0.000494   0.070965  -0.064235
-    1SOL     O4    4   0.182288   0.032937   0.200212
-    1SOL     H5    5   0.272117   0.010357   0.176064
-    1SOL     H6    6   0.161094  -0.026562   0.272135
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.093956   0.011331  -0.014360
-    1SOL     O4    4   0.059006   0.203534   0.167239
-    1SOL     H5    5   0.055004   0.295367   0.140537
-    1SOL     H6    6   0.048942   0.154379   0.085723
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088966  -0.003713   0.035123
-    0SOL     H3    3   0.054040   0.026823   0.074314
-    1SOL     O4    4   0.008253  -0.284329  -0.034304
-    1SOL     H5    5  -0.081522  -0.305864  -0.009023
-    1SOL     H6    6   0.007396  -0.189520  -0.047448
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018894   0.013976  -0.092790
-    0SOL     H3    3  -0.044598  -0.081922   0.021499
-    1SOL     O4    4   0.181111   0.132764   0.248895
-    1SOL     H5    5   0.227589   0.199938   0.198996
-    1SOL     H6    6   0.188682   0.053674   0.195512
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095042   0.001995   0.011196
-    0SOL     H3    3   0.033868  -0.023223   0.086464
-    1SOL     O4    4   0.307815   0.081168  -0.138182
-    1SOL     H5    5   0.383910   0.116236  -0.184466
-    1SOL     H6    6   0.307666  -0.012148  -0.159498
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078406  -0.000457  -0.054905
-    0SOL     H3    3  -0.012854   0.092093   0.022715
-    1SOL     O4    4  -0.174514  -0.099543  -0.209625
-    1SOL     H5    5  -0.132572  -0.041029  -0.146544
-    1SOL     H6    6  -0.132532  -0.078875  -0.293127
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080472   0.033940   0.039174
-    0SOL     H3    3   0.017656  -0.092976  -0.014355
-    1SOL     O4    4   0.213695  -0.031379   0.161736
-    1SOL     H5    5   0.309131  -0.027811   0.155283
-    1SOL     H6    6   0.196845  -0.087175   0.237665
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090546   0.015970  -0.026622
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-    1SOL     H5    5  -0.018219  -0.125047   0.297924
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-    6
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-    1SOL     H5    5  -0.057179  -0.289942  -0.162129
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-    6
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-    1SOL     H5    5  -0.024561  -0.286106  -0.136096
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-    6
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-    1SOL     H5    5  -0.258375  -0.045508  -0.139638
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-    6
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-    6
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-    6
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-    1SOL     O4    4   0.198720   0.015816   0.180646
-    1SOL     H5    5   0.287616  -0.007944   0.154276
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.074307   0.032482   0.050851
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-    1SOL     H5    5  -0.077957   0.287187  -0.131671
-    1SOL     H6    6  -0.069880   0.144630  -0.081360
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.034562   0.084220  -0.029577
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-    1SOL     H5    5  -0.043506  -0.343284   0.082248
-    1SOL     H6    6  -0.163639  -0.361473  -0.008064
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073678  -0.024341  -0.056048
-    0SOL     H3    3  -0.016941   0.091192   0.023652
-    1SOL     O4    4  -0.085893  -0.215057   0.148626
-    1SOL     H5    5  -0.176873  -0.185414   0.151159
-    1SOL     H6    6  -0.039921  -0.147227   0.099149
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068587  -0.014477  -0.065181
-    0SOL     H3    3  -0.013370  -0.069267   0.064696
-    1SOL     O4    4  -0.018430  -0.181831   0.218832
-    1SOL     H5    5  -0.105883  -0.151257   0.242906
-    1SOL     H6    6  -0.033748  -0.263864   0.171948
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.048833   0.028760  -0.077140
-    0SOL     H3    3  -0.025805   0.061196   0.068931
-    1SOL     O4    4  -0.034892   0.152888   0.219259
-    1SOL     H5    5  -0.011875   0.235712   0.177154
-    1SOL     H6    6  -0.130022   0.156634   0.229182
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004153  -0.054054  -0.078887
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-    1SOL     O4    4  -0.067023   0.279770   0.017848
-    1SOL     H5    5   0.003651   0.313283   0.073024
-    1SOL     H6    6  -0.046738   0.186897   0.006644
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091066   0.005621   0.028942
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-    1SOL     O4    4   0.157482   0.088025   0.251363
-    1SOL     H5    5   0.156791   0.000187   0.289394
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.015668  -0.079738  -0.050584
-    1SOL     O4    4  -0.027704   0.258136  -0.042418
-    1SOL     H5    5  -0.016868   0.163610  -0.052887
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004695  -0.067719  -0.067486
-    0SOL     H3    3   0.070073  -0.022289   0.061280
-    1SOL     O4    4   0.098010   0.151115  -0.345531
-    1SOL     H5    5   0.138026   0.225114  -0.391194
-    1SOL     H6    6   0.163544   0.124408  -0.281076
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056415  -0.008408   0.076870
-    0SOL     H3    3   0.018295   0.087697  -0.033718
-    1SOL     O4    4  -0.222371   0.010195   0.164810
-    1SOL     H5    5  -0.153436   0.001043   0.099034
-    1SOL     H6    6  -0.189196   0.076579   0.225265
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.034379   0.087697  -0.017018
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-    1SOL     O4    4  -0.081401  -0.149268  -0.214934
-    1SOL     H5    5  -0.169147  -0.122114  -0.241870
-    1SOL     H6    6  -0.040343  -0.180986  -0.295373
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057176   0.002038  -0.076740
-    0SOL     H3    3   0.088029   0.012902  -0.035310
-    1SOL     O4    4   0.271641   0.046586  -0.023587
-    1SOL     H5    5   0.290421   0.129670   0.020078
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H6    6   0.005610   0.184723   0.092621
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.277639   0.184320   0.073502
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070034   0.060838  -0.023585
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-    1SOL     O4    4  -0.014059   0.395976   0.066475
-    1SOL     H5    5  -0.066470   0.345161   0.128388
-    1SOL     H6    6   0.070408   0.351017   0.063975
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.013001   0.221971   0.195368
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.056961  -0.002325   0.076892
-    1SOL     O4    4  -0.161148   0.086295  -0.215690
-    1SOL     H5    5  -0.246261   0.107395  -0.177310
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.176273   0.013017   0.212537
-    1SOL     H5    5  -0.233967   0.031095   0.138329
-    1SOL     H6    6  -0.224282  -0.050840   0.265261
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.161922  -0.210302  -0.203915
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.088851  -0.018717   0.030289
-    0SOL     H3    3  -0.056379  -0.028583   0.071880
-    1SOL     O4    4  -0.082115  -0.203813  -0.161434
-    1SOL     H5    5  -0.044172  -0.145859  -0.095373
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.033307   0.051540  -0.073462
-    1SOL     O4    4   0.050021   0.122504  -0.243379
-    1SOL     H5    5  -0.008627   0.115739  -0.318725
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.114099   0.065699   0.247494
-    1SOL     H5    5  -0.091952   0.035255   0.335500
-    1SOL     H6    6  -0.104348   0.160822   0.251844
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087586   0.031248  -0.022682
-    0SOL     H3    3  -0.011272  -0.079614  -0.051932
-    1SOL     O4    4  -0.207175   0.110356   0.159330
-    1SOL     H5    5  -0.125551   0.106643   0.109469
-    1SOL     H6    6  -0.212540   0.025322   0.202950
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091626   0.006864   0.026832
-    0SOL     H3    3  -0.046499  -0.025481   0.079692
-    1SOL     O4    4   0.287874   0.010269   0.025283
-    1SOL     H5    5   0.353284  -0.009125   0.092423
-    1SOL     H6    6   0.299356  -0.058739  -0.040051
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003015  -0.095348   0.007875
-    0SOL     H3    3  -0.084057   0.023505  -0.039298
-    1SOL     O4    4  -0.233652   0.073152  -0.142049
-    1SOL     H5    5  -0.328957   0.064321  -0.140876
-    1SOL     H6    6  -0.218216   0.162687  -0.172174
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.023244   0.068194   0.063021
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-    1SOL     O4    4   0.121927  -0.001729  -0.230832
-    1SOL     H5    5   0.083547  -0.016027  -0.144316
-    1SOL     H6    6   0.092475  -0.076517  -0.282809
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.053469   0.008374   0.078951
-    0SOL     H3    3  -0.050212  -0.058324  -0.056915
-    1SOL     O4    4   0.159204  -0.255729  -0.050746
-    1SOL     H5    5   0.199116  -0.254532  -0.137740
-    1SOL     H6    6   0.118004  -0.169767  -0.042060
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008429   0.094054  -0.015654
-    0SOL     H3    3  -0.038310  -0.006430   0.087483
-    1SOL     O4    4   0.143957  -0.248310   0.070514
-    1SOL     H5    5   0.236226  -0.273577   0.073728
-    1SOL     H6    6   0.124872  -0.238960  -0.022817
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.089685   0.009595   0.032044
-    0SOL     H3    3  -0.053169  -0.007169   0.079271
-    1SOL     O4    4   0.181992  -0.067881   0.276339
-    1SOL     H5    5   0.166365   0.024122   0.297638
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.040221   0.200074  -0.258723
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4   0.189948   0.183776  -0.002189
-    1SOL     H5    5   0.201860   0.236813   0.076598
-    1SOL     H6    6   0.124935   0.118081   0.022708
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-    6
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-    1SOL     O4    4   0.232068  -0.034865   0.176529
-    1SOL     H5    5   0.150883  -0.002992   0.137090
-    1SOL     H6    6   0.299951  -0.013047   0.112669
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-    6
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-    0SOL     H3    3  -0.036190  -0.079337   0.039475
-    1SOL     O4    4  -0.115481   0.005017   0.293206
-    1SOL     H5    5  -0.180345  -0.046025   0.244734
-    1SOL     H6    6  -0.050358  -0.059311   0.321192
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.093895   0.016585   0.008431
-    1SOL     O4    4  -0.259258   0.087262   0.024623
-    1SOL     H5    5  -0.312631   0.038427  -0.038058
-    1SOL     H6    6  -0.302684   0.172242   0.032040
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-    6
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-    1SOL     O4    4   0.067156  -0.251668   0.027107
-    1SOL     H5    5   0.027137  -0.312437  -0.035086
-    1SOL     H6    6   0.071449  -0.300708   0.109198
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.198714   0.232383   0.101220
-    1SOL     H5    5   0.259113   0.277769   0.159995
-    1SOL     H6    6   0.131425   0.297410   0.081071
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045969   0.080572   0.023607
-    0SOL     H3    3  -0.061893  -0.047600  -0.055369
-    1SOL     O4    4   0.111711  -0.061153   0.222408
-    1SOL     H5    5   0.147804   0.007784   0.278151
-    1SOL     H6    6   0.073577  -0.014413   0.148087
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.091558  -0.027354   0.005581
-    1SOL     O4    4  -0.083812   0.281589   0.024632
-    1SOL     H5    5  -0.139881   0.283438  -0.052925
-    1SOL     H6    6  -0.143317   0.298511   0.097674
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071154   0.062947   0.011711
-    0SOL     H3    3   0.023750  -0.026197   0.088949
-    1SOL     O4    4  -0.145360   0.137652  -0.318357
-    1SOL     H5    5  -0.098682   0.054258  -0.312978
-    1SOL     H6    6  -0.237381   0.113078  -0.327873
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018565   0.010911   0.093266
-    0SOL     H3    3   0.083777  -0.046231  -0.002546
-    1SOL     O4    4   0.253490  -0.102302  -0.046097
-    1SOL     H5    5   0.217512  -0.123229  -0.132295
-    1SOL     H6    6   0.276964  -0.009676  -0.051733
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012028   0.051144  -0.080012
-    0SOL     H3    3  -0.032677  -0.084699  -0.030342
-    1SOL     O4    4   0.089194   0.213226  -0.173856
-    1SOL     H5    5   0.071127   0.303673  -0.148259
-    1SOL     H6    6   0.098869   0.216693  -0.269023
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060852  -0.053165   0.051310
-    0SOL     H3    3   0.067687  -0.061512  -0.028231
-    1SOL     O4    4  -0.220795  -0.072312   0.113453
-    1SOL     H5    5  -0.277715  -0.049507   0.039952
-    1SOL     H6    6  -0.224455  -0.167858   0.117896
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017614   0.050385   0.079457
-    0SOL     H3    3  -0.014094   0.066151  -0.067733
-    1SOL     O4    4   0.016569   0.093944   0.289920
-    1SOL     H5    5   0.078040   0.081567   0.362241
-    1SOL     H6    6  -0.064486   0.052883   0.320024
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076959   0.056827  -0.003212
-    0SOL     H3    3   0.029723  -0.082809  -0.037703
-    1SOL     O4    4  -0.092780  -0.045057   0.284443
-    1SOL     H5    5  -0.061482  -0.075481   0.199255
-    1SOL     H6    6  -0.122858   0.044390   0.268414
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016510   0.059698   0.072979
-    0SOL     H3    3   0.083600  -0.004927  -0.046359
-    1SOL     O4    4   0.269627   0.043227  -0.074012
-    1SOL     H5    5   0.304224   0.098084  -0.003612
-    1SOL     H6    6   0.328484   0.058974  -0.147837
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006034  -0.055254  -0.077929
-    0SOL     H3    3   0.066135  -0.035216   0.059568
-    1SOL     O4    4  -0.205871   0.298080  -0.047695
-    1SOL     H5    5  -0.204225   0.288266  -0.142897
-    1SOL     H6    6  -0.114695   0.286795  -0.020826
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.059971   0.043983   0.060260
-    0SOL     H3    3   0.057084  -0.041245  -0.064828
-    1SOL     O4    4   0.167903  -0.129574  -0.174975
-    1SOL     H5    5   0.194281  -0.193760  -0.109045
-    1SOL     H6    6   0.118518  -0.180275  -0.239418
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022049   0.089295   0.026505
-    0SOL     H3    3   0.084547  -0.044042  -0.008627
-    1SOL     O4    4   0.007174   0.245336   0.058073
-    1SOL     H5    5   0.069710   0.311476   0.087688
-    1SOL     H6    6  -0.074508   0.267906   0.102581
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079358  -0.049058  -0.021398
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-    1SOL     O4    4  -0.169756  -0.248335  -0.225525
-    1SOL     H5    5  -0.205650  -0.311777  -0.163484
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.112667   0.133721  -0.203495
-    1SOL     H5    5  -0.064767   0.215175  -0.188225
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.022809  -0.047556   0.079878
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-    1SOL     H5    5  -0.199656   0.374324  -0.225248
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-    6
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-    1SOL     O4    4  -0.233631  -0.262711   0.059887
-    1SOL     H5    5  -0.263483  -0.352515   0.074251
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.205663  -0.118962  -0.173497
-    1SOL     H5    5   0.138763  -0.100818  -0.107486
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019575   0.034242  -0.087216
-    0SOL     H3    3  -0.094810   0.009724   0.008877
-    1SOL     O4    4  -0.144728   0.225669  -0.182485
-    1SOL     H5    5  -0.183674   0.214663  -0.269228
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.057306   0.070961   0.029032
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-    1SOL     O4    4   0.177812  -0.212699  -0.010045
-    1SOL     H5    5   0.183186  -0.308254  -0.008428
-    1SOL     H6    6   0.085058  -0.194123  -0.024667
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.095362  -0.006538   0.005066
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-    1SOL     O4    4  -0.031244  -0.280654   0.178972
-    1SOL     H5    5   0.046097  -0.240599   0.218675
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.014375   0.249466  -0.144701
-    1SOL     H5    5   0.062539   0.277228  -0.094943
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.189986  -0.141806  -0.340310
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.137542  -0.229866   0.067514
-    1SOL     H5    5  -0.106977  -0.140770   0.050486
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.264962   0.107304   0.120483
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.054154   0.033803   0.071323
-    0SOL     H3    3  -0.049385  -0.071923   0.039377
-    1SOL     O4    4   0.122317   0.166690  -0.182722
-    1SOL     H5    5   0.059189   0.124897  -0.124152
-    1SOL     H6    6   0.133464   0.104295  -0.254451
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005821  -0.095541   0.000599
-    0SOL     H3    3   0.092138   0.018315  -0.018369
-    1SOL     O4    4  -0.071484  -0.264009   0.039751
-    1SOL     H5    5  -0.024008  -0.320354   0.100854
-    1SOL     H6    6  -0.162785  -0.291671   0.047588
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.043328   0.085258   0.004011
-    0SOL     H3    3  -0.065215  -0.061653   0.033290
-    1SOL     O4    4   0.148238   0.128422  -0.276919
-    1SOL     H5    5   0.182993   0.163731  -0.358820
-    1SOL     H6    6   0.102732   0.048267  -0.302739
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082831   0.047965   0.000797
-    0SOL     H3    3  -0.025473  -0.091714  -0.010101
-    1SOL     O4    4  -0.131221  -0.063336  -0.337143
-    1SOL     H5    5  -0.157647  -0.152214  -0.313381
-    1SOL     H6    6  -0.164497  -0.008582  -0.266030
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049264   0.081118   0.012460
-    0SOL     H3    3   0.058762  -0.056258  -0.050442
-    1SOL     O4    4   0.134484   0.247952  -0.007815
-    1SOL     H5    5   0.134746   0.289019  -0.094278
-    1SOL     H6    6   0.218024   0.273648   0.031211
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000754  -0.092991  -0.022680
-    0SOL     H3    3  -0.091068   0.027819  -0.009748
-    1SOL     O4    4   0.084140   0.229784   0.223031
-    1SOL     H5    5  -0.001308   0.203964   0.257590
-    1SOL     H6    6   0.141211   0.232665   0.299822
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.029814   0.070268   0.057757
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-    1SOL     H5    5  -0.068754  -0.230796  -0.244987
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-    6
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-    0SOL     H3    3  -0.090381   0.003980  -0.031269
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-    1SOL     H5    5   0.016388  -0.295316  -0.151885
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-    6
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-    0SOL     H3    3  -0.014811   0.049056  -0.080849
-    1SOL     O4    4  -0.026007  -0.017056   0.338284
-    1SOL     H5    5  -0.037539  -0.025804   0.432903
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-    6
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-    0SOL     H2    2   0.052252  -0.053106   0.060099
-    0SOL     H3    3   0.064538   0.046852  -0.052934
-    1SOL     O4    4  -0.215817  -0.164684  -0.086961
-    1SOL     H5    5  -0.248143  -0.159812  -0.176926
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-    6
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-    1SOL     O4    4  -0.029986  -0.122723  -0.248856
-    1SOL     H5    5   0.030383  -0.141189  -0.320806
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-    6
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-    0SOL     H3    3   0.083421   0.035761  -0.030405
-    1SOL     O4    4  -0.185052   0.007180  -0.204252
-    1SOL     H5    5  -0.246137  -0.063711  -0.184119
-    1SOL     H6    6  -0.132256   0.016609  -0.124968
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-    6
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-    0SOL     H3    3   0.081174  -0.015629  -0.048259
-    1SOL     O4    4   0.075318  -0.070680   0.247626
-    1SOL     H5    5   0.068120  -0.150672   0.299701
-    1SOL     H6    6   0.163182  -0.074469   0.209838
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.032936  -0.050959  -0.074032
-    0SOL     H3    3   0.042602   0.075770  -0.040079
-    1SOL     O4    4   0.148252  -0.230518   0.030866
-    1SOL     H5    5   0.068820  -0.283726   0.026200
-    1SOL     H6    6   0.116492  -0.140342   0.035556
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.089986   0.013694  -0.029619
-    0SOL     H3    3  -0.050649  -0.009412  -0.080675
-    1SOL     O4    4  -0.392903   0.018404  -0.022406
-    1SOL     H5    5  -0.382654   0.113552  -0.020383
-    1SOL     H6    6  -0.487512   0.004371  -0.018595
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044803  -0.063735  -0.055614
-    0SOL     H3    3  -0.092666  -0.022912  -0.007089
-    1SOL     O4    4   0.071149   0.053392   0.259736
-    1SOL     H5    5   0.046534  -0.009320   0.327734
-    1SOL     H6    6   0.043227   0.012279   0.177929
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015292  -0.011578  -0.093779
-    0SOL     H3    3   0.049850  -0.070493   0.041327
-    1SOL     O4    4  -0.331993  -0.078616   0.036886
-    1SOL     H5    5  -0.281368  -0.144244  -0.010991
-    1SOL     H6    6  -0.417009  -0.077124  -0.007073
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039152   0.085247   0.019036
-    0SOL     H3    3   0.055077  -0.036814  -0.069091
-    1SOL     O4    4   0.052698  -0.186381   0.189907
-    1SOL     H5    5   0.031309  -0.106819   0.141176
-    1SOL     H6    6   0.085819  -0.154846   0.273995
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/418/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077314   0.022402   0.051798
-    0SOL     H3    3  -0.060736   0.072453   0.014970
-    1SOL     O4    4   0.321902  -0.100605  -0.025000
-    1SOL     H5    5   0.340963  -0.185341  -0.065234
-    1SOL     H6    6   0.406299  -0.070488   0.008651
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.040886   0.023223   0.083375
-    0SOL     H3    3   0.017631   0.084031  -0.042312
-    1SOL     O4    4   0.208911   0.016143   0.255036
-    1SOL     H5    5   0.237392   0.047998   0.169384
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.280206  -0.165491   0.176074
-    1SOL     H5    5   0.309078  -0.086374   0.130585
-    1SOL     H6    6   0.314914  -0.237480   0.123395
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029688  -0.081075  -0.041325
-    0SOL     H3    3  -0.095375  -0.002683  -0.007666
-    1SOL     O4    4  -0.258621  -0.120365  -0.186014
-    1SOL     H5    5  -0.232917  -0.046120  -0.240689
-    1SOL     H6    6  -0.350006  -0.103027  -0.163418
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.053530  -0.079179  -0.005251
-    0SOL     H3    3  -0.055276   0.063347   0.045761
-    1SOL     O4    4  -0.207007   0.165787   0.090054
-    1SOL     H5    5  -0.169882   0.253528   0.080794
-    1SOL     H6    6  -0.241319   0.163552   0.179385
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.031796  -0.026321   0.086363
-    0SOL     H3    3   0.062377   0.070385   0.017818
-    1SOL     O4    4   0.005022   0.363949  -0.214034
-    1SOL     H5    5  -0.047140   0.380197  -0.135437
-    1SOL     H6    6  -0.028669   0.281260  -0.248526
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092485   0.016312  -0.018514
-    0SOL     H3    3  -0.039844  -0.012649  -0.086109
-    1SOL     O4    4   0.232493   0.038933  -0.134926
-    1SOL     H5    5   0.308594   0.021943  -0.079408
-    1SOL     H6    6   0.238871  -0.026038  -0.204929
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.092029  -0.237069   0.204406
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-    1SOL     H6    6   0.079157  -0.199930   0.291683
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.143676  -0.015784   0.243035
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-    1SOL     H6    6   0.122636  -0.027483   0.150391
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    1SOL     H5    5  -0.218196  -0.245760  -0.024467
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-    6
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-    0SOL     H2    2   0.040709   0.003184   0.086573
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-    1SOL     O4    4   0.060333  -0.325247   0.103823
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-    6
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-    0SOL     H2    2   0.035007   0.065552  -0.060330
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-    1SOL     H5    5   0.211778   0.259113   0.085564
-    1SOL     H6    6   0.177910   0.217982   0.227268
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.094410  -0.015563  -0.002630
-    1SOL     O4    4  -0.271955  -0.012345  -0.000184
-    1SOL     H5    5  -0.301108  -0.100306   0.023801
-    1SOL     H6    6  -0.314381   0.045190   0.063472
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.065885  -0.235256   0.121704
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.076451   0.264563  -0.093500
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-    1SOL     H6    6   0.083318   0.177671  -0.053941
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.025368   0.058070  -0.071740
-    1SOL     O4    4   0.227274   0.037033   0.159484
-    1SOL     H5    5   0.157026   0.005471   0.102639
-    1SOL     H6    6   0.307481   0.020627   0.109886
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-    6
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-    1SOL     H5    5   0.279294   0.075697  -0.018295
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061979   0.068981  -0.023718
-    0SOL     H3    3   0.052150  -0.013642  -0.079099
-    1SOL     O4    4   0.162375   0.286454   0.057132
-    1SOL     H5    5   0.120225   0.231077   0.122852
-    1SOL     H6    6   0.100813   0.287823  -0.016151
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077063  -0.049233   0.028281
-    0SOL     H3    3  -0.070453  -0.030902   0.056954
-    1SOL     O4    4   0.128346  -0.277519  -0.065823
-    1SOL     H5    5   0.120742  -0.326416  -0.147759
-    1SOL     H6    6   0.222429  -0.274168  -0.048518
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017797  -0.092997   0.014042
-    0SOL     H3    3  -0.043666   0.044065   0.072896
-    1SOL     O4    4  -0.045009   0.200896   0.191018
-    1SOL     H5    5   0.001936   0.267105   0.140275
-    1SOL     H6    6   0.020500   0.166131   0.251534
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.028130   0.060746  -0.068417
-    0SOL     H3    3   0.074694  -0.005246   0.059629
-    1SOL     O4    4   0.130862  -0.060010   0.263718
-    1SOL     H5    5   0.124983  -0.146721   0.223605
-    1SOL     H6    6   0.219496  -0.056153   0.299657
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019317   0.056351   0.074925
-    0SOL     H3    3  -0.091878   0.017641  -0.020239
-    1SOL     O4    4  -0.033892  -0.258543   0.045746
-    1SOL     H5    5   0.051062  -0.290496   0.076146
-    1SOL     H6    6  -0.017037  -0.168623   0.017593
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095044   0.011157  -0.002133
-    0SOL     H3    3   0.012999  -0.094816   0.001803
-    1SOL     O4    4   0.029232  -0.269380   0.084652
-    1SOL     H5    5   0.012207  -0.288797   0.176823
-    1SOL     H6    6  -0.018755  -0.336871   0.036647
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4  -0.200548  -0.167356  -0.118609
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.296432  -0.006113  -0.080680
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-    6
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-    1SOL     H5    5   0.002166   0.213332   0.182667
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-    6
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-    1SOL     H5    5   0.171538   0.242177  -0.238138
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-    6
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-    1SOL     O4    4   0.036921   0.124605   0.255867
-    1SOL     H5    5   0.009952   0.091581   0.170167
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-    6
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-    0SOL     H3    3  -0.085644  -0.025072  -0.034623
-    1SOL     O4    4  -0.206378   0.105112  -0.188749
-    1SOL     H5    5  -0.200971   0.011639  -0.168851
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-    6
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-    1SOL     H5    5   0.043515  -0.304365   0.060162
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-    6
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-    1SOL     O4    4   0.103970  -0.271368   0.050848
-    1SOL     H5    5   0.103320  -0.278907  -0.044572
-    1SOL     H6    6   0.070808  -0.183267   0.068188
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-    6
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-    1SOL     O4    4   0.021810   0.260315   0.080666
-    1SOL     H5    5  -0.017886   0.186760   0.034016
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-    6
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-    0SOL     H2    2   0.092559  -0.000601  -0.024389
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-    1SOL     H5    5   0.011105  -0.089194   0.258411
-    1SOL     H6    6   0.060289   0.048703   0.296936
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.271049  -0.127140  -0.125109
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-    6
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-    0SOL     H2    2   0.026971  -0.069335   0.060229
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-    1SOL     O4    4   0.146112   0.146345  -0.164960
-    1SOL     H5    5   0.101811   0.071963  -0.124129
-    1SOL     H6    6   0.167681   0.115979  -0.253136
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-    6
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-    0SOL     H3    3   0.039849  -0.007012   0.086748
-    1SOL     O4    4   0.188215   0.250016   0.089172
-    1SOL     H5    5   0.094385   0.247733   0.070380
-    1SOL     H6    6   0.222315   0.319393   0.032724
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-    6
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-    1SOL     O4    4  -0.077061   0.184458  -0.340943
-    1SOL     H5    5  -0.048918   0.270148  -0.372999
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.170937   0.162852  -0.188844
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-    6
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-    1SOL     O4    4   0.025649  -0.279768   0.001069
-    1SOL     H5    5   0.031048  -0.310146   0.091679
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.216574  -0.153406  -0.025362
-    1SOL     H5    5   0.134648  -0.103933  -0.027027
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.026309   0.022779   0.089170
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-    1SOL     H5    5   0.149457   0.104256   0.040955
-    1SOL     H6    6   0.300778   0.100485   0.043599
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009280   0.065591   0.069094
-    0SOL     H3    3   0.059568   0.040087  -0.063301
-    1SOL     O4    4  -0.111913   0.137557   0.216190
-    1SOL     H5    5  -0.121884   0.086593   0.296599
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.040281   0.038147   0.078004
-    0SOL     H3    3   0.038939  -0.087167  -0.006930
-    1SOL     O4    4   0.133750   0.190022  -0.152951
-    1SOL     H5    5   0.110327   0.282037  -0.140834
-    1SOL     H6    6   0.063948   0.141495  -0.108960
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.059883   0.049700   0.055734
-    0SOL     H3    3  -0.023890  -0.091514   0.014723
-    1SOL     O4    4   0.172095   0.316741  -0.066046
-    1SOL     H5    5   0.085184   0.314653  -0.025992
-    1SOL     H6    6   0.228483   0.271362  -0.003408
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042433  -0.081257  -0.027550
-    0SOL     H3    3   0.023456   0.043766  -0.081833
-    1SOL     O4    4  -0.166437   0.192575   0.066477
-    1SOL     H5    5  -0.104120   0.126199   0.036927
-    1SOL     H6    6  -0.237451   0.189042   0.002392
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.160132  -0.079438   0.001938
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.033802  -0.126980  -0.193673
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-    6
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-    1SOL     H5    5   0.305151   0.071218   0.042816
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-    6
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-    1SOL     O4    4   0.158986  -0.208177   0.107678
-    1SOL     H5    5   0.237197  -0.156537   0.127138
-    1SOL     H6    6   0.099304  -0.189586   0.180167
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-    6
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-    0SOL     H3    3   0.080587   0.008758  -0.050905
-    1SOL     O4    4  -0.077719   0.223708   0.134499
-    1SOL     H5    5  -0.043800   0.144587   0.092645
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.076727   0.024005   0.238731
-    1SOL     H5    5   0.150966  -0.036250   0.243226
-    1SOL     H6    6   0.042644   0.013509   0.149902
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.147498  -0.132299   0.201678
-    1SOL     H5    5  -0.159326  -0.213003   0.151584
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017193  -0.015281   0.092915
-    0SOL     H3    3  -0.086802   0.003701  -0.040176
-    1SOL     O4    4  -0.063215  -0.027365   0.275593
-    1SOL     H5    5  -0.025714   0.047005   0.322764
-    1SOL     H6    6  -0.157872  -0.015182   0.282941
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.260183   0.146529  -0.057907
-    1SOL     H5    5  -0.287775   0.166631   0.031519
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.026434   0.204230   0.179941
-    1SOL     H5    5   0.035784   0.275109   0.163583
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.141000  -0.340324   0.126185
-    1SOL     H5    5  -0.172232  -0.273297   0.065405
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.086829  -0.030293  -0.026560
-    0SOL     H3    3  -0.011366   0.029074   0.090486
-    1SOL     O4    4   0.006780   0.077257   0.276918
-    1SOL     H5    5   0.070062   0.147480   0.261870
-    1SOL     H6    6  -0.046455   0.108220   0.350195
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.016785   0.079807   0.050115
-    1SOL     O4    4   0.156488  -0.214186  -0.103309
-    1SOL     H5    5   0.122826  -0.145744  -0.045474
-    1SOL     H6    6   0.207496  -0.271242  -0.045820
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.043078  -0.077732   0.035556
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-    1SOL     H6    6   0.030360   0.000585  -0.183778
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.284021  -0.040269   0.018667
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    1SOL     H5    5  -0.245358   0.182325  -0.082665
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.301022  -0.021053   0.042797
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-    6
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-    1SOL     H5    5   0.160383  -0.280592  -0.107290
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.097171   0.120653   0.225466
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.278323  -0.190811   0.101549
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.044320  -0.024506  -0.314261
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-    6
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-    1SOL     O4    4  -0.116074  -0.202073  -0.112299
-    1SOL     H5    5  -0.049323  -0.266911  -0.134720
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.065104  -0.049249  -0.049984
-    1SOL     O4    4   0.121931  -0.058323  -0.245589
-    1SOL     H5    5   0.076095  -0.026742  -0.323461
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.004877   0.237585   0.139493
-    1SOL     H5    5   0.010586   0.249272   0.234325
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.054811   0.077794   0.010306
-    0SOL     H3    3   0.085947   0.026709   0.032591
-    1SOL     O4    4   0.061582   0.011563  -0.295836
-    1SOL     H5    5   0.052182  -0.033671  -0.212003
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.083324   0.015006   0.044658
-    1SOL     O4    4   0.169006   0.190075   0.144330
-    1SOL     H5    5   0.139342   0.185891   0.235241
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007800  -0.060227   0.073988
-    0SOL     H3    3   0.048751  -0.042346  -0.070657
-    1SOL     O4    4  -0.173819   0.191412  -0.277719
-    1SOL     H5    5  -0.133838   0.277062  -0.292817
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.118705   0.183229  -0.193797
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.197265  -0.157610  -0.258403
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    0SOL     H3    3  -0.060780   0.053753  -0.050782
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-    6
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-    1SOL     H5    5  -0.081699   0.155076  -0.231671
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.062110   0.174230  -0.253699
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.044381   0.080204   0.027569
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-    1SOL     H5    5   0.075075  -0.038427  -0.158819
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.065713   0.021488  -0.066200
-    0SOL     H3    3  -0.037155  -0.083241  -0.029201
-    1SOL     O4    4  -0.248002  -0.149218   0.122897
-    1SOL     H5    5  -0.249063  -0.113165   0.211561
-    1SOL     H6    6  -0.183673  -0.220006   0.126542
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069787   0.064816  -0.009537
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-    1SOL     O4    4  -0.226335   0.194448  -0.052848
-    1SOL     H5    5  -0.217194   0.282222  -0.015773
-    1SOL     H6    6  -0.164509   0.140855  -0.003173
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4   0.045487  -0.373474   0.015113
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-    1SOL     H6    6   0.114206  -0.428951   0.052020
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056475   0.074174  -0.021704
-    0SOL     H3    3   0.058173  -0.062678   0.043008
-    1SOL     O4    4  -0.216231   0.034584   0.155842
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052118   0.058246   0.055258
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-    1SOL     H5    5   0.168322   0.279121   0.090904
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H6    6   0.121581   0.127185   0.094541
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-    6
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-    6
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-    1SOL     O4    4  -0.153808  -0.228150  -0.129908
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.185667   0.176377  -0.012423
-    1SOL     H5    5   0.200744   0.267012   0.014416
-    1SOL     H6    6   0.258345   0.127505   0.026199
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-    6
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-    1SOL     O4    4   0.103294  -0.303004   0.140613
-    1SOL     H5    5   0.025640  -0.358951   0.142022
-    1SOL     H6    6   0.075994  -0.222923   0.185380
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085660   0.028591   0.031738
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-    1SOL     H5    5  -0.063520  -0.074154  -0.145369
-    1SOL     H6    6  -0.129795  -0.201046  -0.194612
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.055992   0.027486   0.072607
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-    1SOL     O4    4  -0.078257  -0.138436  -0.207958
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-    1SOL     H6    6  -0.152521  -0.197635  -0.196011
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-    6
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-    0SOL     H2    2   0.073037   0.059863   0.015632
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-    6
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-    0SOL     H2    2  -0.070323   0.063025  -0.015647
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-    1SOL     O4    4   0.159317   0.081009  -0.202159
-    1SOL     H5    5   0.133598   0.011116  -0.262290
-    1SOL     H6    6   0.248697   0.103339  -0.228139
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.075474   0.039678   0.043493
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-    1SOL     H5    5   0.124829  -0.151065  -0.034350
-    1SOL     H6    6   0.221201  -0.264618  -0.007204
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071811   0.024538   0.058338
-    0SOL     H3    3  -0.043150  -0.038246  -0.076405
-    1SOL     O4    4  -0.175657   0.089284   0.182549
-    1SOL     H5    5  -0.249745   0.143955   0.156390
-    1SOL     H6    6  -0.106269   0.151604   0.204088
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-    6
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-    0SOL     H2    2  -0.071943   0.018498   0.060369
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-    1SOL     H5    5  -0.093551  -0.055702  -0.338767
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.026420   0.046259  -0.079526
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-    1SOL     H5    5  -0.157061  -0.103652   0.030816
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H6    6   0.238622  -0.046211   0.194552
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-    6
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-    6
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-    0SOL     H2    2   0.039291   0.076304  -0.042383
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-    6
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-    6
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-    0SOL     H3    3   0.065858   0.054534   0.043025
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-    6
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-    6
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-    6
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-    0SOL     H2    2   0.030845   0.055847   0.071359
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-    1SOL     O4    4  -0.211961  -0.150780   0.040292
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-    6
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-    1SOL     H6    6   0.161486   0.185393   0.097620
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-    6
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-    1SOL     H5    5   0.136268  -0.052328   0.280705
-    1SOL     H6    6   0.132805  -0.185598   0.208970
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.158016   0.176535   0.138036
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-    1SOL     H6    6   0.172644   0.094704   0.185492
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.277515  -0.143254   0.088627
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056894   0.070920  -0.029928
-    0SOL     H3    3  -0.051793  -0.023350  -0.077036
-    1SOL     O4    4  -0.157225  -0.152383  -0.159929
-    1SOL     H5    5  -0.232937  -0.187496  -0.113055
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047549  -0.045353   0.069602
-    0SOL     H3    3   0.056084   0.062454   0.046005
-    1SOL     O4    4  -0.129690  -0.087282   0.218820
-    1SOL     H5    5  -0.148011  -0.009095   0.270911
-    1SOL     H6    6  -0.210153  -0.138881   0.223869
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.056430   0.077317   0.000266
-    0SOL     H3    3   0.041536   0.000307   0.086238
-    1SOL     O4    4  -0.263553  -0.129199   0.149000
-    1SOL     H5    5  -0.184344  -0.182079   0.158589
-    1SOL     H6    6  -0.334430  -0.193167   0.142154
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024276   0.076536  -0.052109
-    0SOL     H3    3  -0.043673   0.013402   0.084115
-    1SOL     O4    4   0.182990  -0.192899  -0.032240
-    1SOL     H5    5   0.234259  -0.166525  -0.108648
-    1SOL     H6    6   0.129543  -0.116227  -0.011573
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.051322  -0.033280  -0.073626
-    0SOL     H3    3   0.039113  -0.078065   0.039223
-    1SOL     O4    4   0.198890   0.222001  -0.076144
-    1SOL     H5    5   0.128665   0.171973  -0.034574
-    1SOL     H6    6   0.237649   0.272758  -0.004844
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068071  -0.057885  -0.034321
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-    1SOL     O4    4   0.138874   0.172039   0.208453
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-    1SOL     H6    6   0.206540   0.131015   0.262312
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-    6
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-    1SOL     O4    4   0.148971   0.049458  -0.230315
-    1SOL     H5    5   0.091609   0.125919  -0.235392
-    1SOL     H6    6   0.235580   0.082837  -0.253702
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-    6
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-    0SOL     H3    3  -0.068990  -0.066197   0.004536
-    1SOL     O4    4   0.251561   0.180050  -0.022395
-    1SOL     H5    5   0.166657   0.223893  -0.016788
-    1SOL     H6    6   0.315609   0.250118  -0.010120
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-    6
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-    0SOL     H3    3   0.040525   0.054238   0.067663
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-    1SOL     H5    5  -0.099474  -0.140550   0.036052
-    1SOL     H6    6  -0.225678  -0.180456   0.109529
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-    6
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-    1SOL     O4    4   0.253082   0.210205  -0.056598
-    1SOL     H5    5   0.312556   0.283815  -0.070975
-    1SOL     H6    6   0.223485   0.185784  -0.144291
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-    6
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-    1SOL     O4    4   0.223933   0.158544   0.027076
-    1SOL     H5    5   0.223282   0.220577   0.099972
-    1SOL     H6    6   0.301324   0.104336   0.042385
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-    6
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-    1SOL     H5    5  -0.152859   0.254453  -0.090076
-    1SOL     H6    6  -0.044302   0.150076  -0.074590
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-    6
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-    0SOL     H2    2  -0.048163  -0.076046   0.032551
-    0SOL     H3    3   0.039538   0.038618   0.078152
-    1SOL     O4    4   0.194294  -0.222608   0.156143
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-    1SOL     H6    6   0.154445  -0.270161   0.083252
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-    6
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-    0SOL     H3    3  -0.053217  -0.068492  -0.040485
-    1SOL     O4    4  -0.170051   0.030156   0.194586
-    1SOL     H5    5  -0.134934   0.063954   0.276968
-    1SOL     H6    6  -0.092886   0.015099   0.139986
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022705   0.046871  -0.080311
-    0SOL     H3    3   0.062829  -0.066562  -0.028006
-    1SOL     O4    4  -0.210373  -0.193058  -0.082717
-    1SOL     H5    5  -0.290028  -0.140945  -0.092792
-    1SOL     H6    6  -0.150277  -0.136016  -0.034790
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.047080   0.005200  -0.083179
-    0SOL     H3    3  -0.081247  -0.045936  -0.021241
-    1SOL     O4    4   0.189240  -0.189400   0.022536
-    1SOL     H5    5   0.118655  -0.128683   0.044748
-    1SOL     H6    6   0.174789  -0.210271  -0.069756
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067059  -0.058095   0.035922
-    0SOL     H3    3   0.034962   0.027489  -0.084760
-    1SOL     O4    4   0.196655  -0.187675   0.033988
-    1SOL     H5    5   0.225606  -0.241250   0.107838
-    1SOL     H6    6   0.192320  -0.248662  -0.039661
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060248   0.039256  -0.063178
-    0SOL     H3    3  -0.067857   0.066280   0.012834
-    1SOL     O4    4   0.172492   0.074747  -0.204569
-    1SOL     H5    5   0.113450   0.136538  -0.247676
-    1SOL     H6    6   0.255175   0.122277  -0.196396
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005887   0.067831  -0.067281
-    0SOL     H3    3   0.084680  -0.041861  -0.015469
-    1SOL     O4    4   0.244552   0.200854  -0.033592
-    1SOL     H5    5   0.197139   0.185000  -0.115219
-    1SOL     H6    6   0.176013   0.209784   0.032627
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.032075   0.085468   0.028789
-    0SOL     H3    3   0.069591   0.020295  -0.062510
-    1SOL     O4    4  -0.122325   0.210183   0.078402
-    1SOL     H5    5  -0.180519   0.147443   0.121290
-    1SOL     H6    6  -0.176444   0.250655   0.010611
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085637   0.027956   0.032359
-    0SOL     H3    3  -0.019496  -0.050557  -0.078906
-    1SOL     O4    4   0.244160   0.145521  -0.005471
-    1SOL     H5    5   0.159543   0.101071  -0.010616
-    1SOL     H6    6   0.305361   0.077455   0.022527
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-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/116/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.028855  -0.044938   0.079437
-    0SOL     H3    3  -0.082966   0.041018   0.024423
-    1SOL     O4    4   0.194260   0.192535   0.084904
-    1SOL     H5    5   0.136574   0.122113   0.055317
-    1SOL     H6    6   0.280495   0.151583   0.091885
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-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/117/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042974  -0.044447  -0.073076
-    0SOL     H3    3   0.043528  -0.070120   0.048486
-    1SOL     O4    4   0.155175   0.218574  -0.071350
-    1SOL     H5    5   0.102558   0.140935  -0.052219
-    1SOL     H6    6   0.227612   0.185918  -0.124724
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053731  -0.068380   0.039994
-    0SOL     H3    3  -0.046651  -0.044459  -0.070777
-    1SOL     O4    4   0.122818  -0.173479   0.170729
-    1SOL     H5    5   0.160595  -0.259981   0.154839
-    1SOL     H6    6   0.049014  -0.189934   0.229418
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.054466  -0.026850   0.073992
-    0SOL     H3    3   0.056966  -0.075158  -0.016386
-    1SOL     O4    4  -0.088733   0.143273  -0.241787
-    1SOL     H5    5  -0.073671   0.084696  -0.167598
-    1SOL     H6    6  -0.118826   0.085708  -0.312093
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.038207   0.070744  -0.051940
-    0SOL     H3    3  -0.061126  -0.072955  -0.010176
-    1SOL     O4    4  -0.162582   0.061525   0.204782
-    1SOL     H5    5  -0.098739   0.044291   0.135577
-    1SOL     H6    6  -0.113186   0.108797   0.271772
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071737   0.063311   0.002800
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-    1SOL     O4    4   0.201943   0.157953   0.093432
-    1SOL     H5    5   0.213531   0.213439   0.170564
-    1SOL     H6    6   0.124173   0.105670   0.112945
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.011052  -0.057028  -0.076079
-    1SOL     O4    4  -0.223091   0.147141  -0.046539
-    1SOL     H5    5  -0.194344   0.179647  -0.131858
-    1SOL     H6    6  -0.293869   0.085958  -0.066774
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.034688  -0.056838   0.068764
-    0SOL     H3    3  -0.043299  -0.059761  -0.060961
-    1SOL     O4    4   0.169081   0.184882   0.178931
-    1SOL     H5    5   0.209806   0.250974   0.234927
-    1SOL     H6    6   0.141638   0.233114   0.100938
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.050145  -0.077492   0.025354
-    0SOL     H3    3  -0.055463   0.044589  -0.064016
-    1SOL     O4    4  -0.136505   0.255829   0.210204
-    1SOL     H5    5  -0.087713   0.292379   0.136408
-    1SOL     H6    6  -0.120373   0.316810   0.282200
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049299  -0.072963   0.037527
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-    1SOL     O4    4   0.077413  -0.264526   0.154266
-    1SOL     H5    5   0.162103  -0.308574   0.147210
-    1SOL     H6    6   0.013955  -0.329565   0.124177
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079851   0.052406  -0.006299
-    0SOL     H3    3  -0.007384  -0.063633  -0.071124
-    1SOL     O4    4   0.186690   0.204001   0.062166
-    1SOL     H5    5   0.166291   0.294329   0.037937
-    1SOL     H6    6   0.133550   0.150705   0.003022
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069482  -0.034180  -0.056270
-    0SOL     H3    3   0.046264   0.046614   0.069636
-    1SOL     O4    4  -0.167361   0.175892  -0.152263
-    1SOL     H5    5  -0.135520   0.136214  -0.071182
-    1SOL     H6    6  -0.226617   0.245289  -0.123365
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067639  -0.025054  -0.062925
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-    1SOL     O4    4  -0.210582  -0.154400   0.042215
-    1SOL     H5    5  -0.123722  -0.115485   0.052371
-    1SOL     H6    6  -0.194421  -0.238184  -0.001161
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075872   0.006500   0.057996
-    0SOL     H3    3  -0.032352  -0.047378  -0.076622
-    1SOL     O4    4  -0.104510  -0.134791  -0.204805
-    1SOL     H5    5  -0.034307  -0.199780  -0.208013
-    1SOL     H6    6  -0.184948  -0.185891  -0.213795
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068017   0.066285   0.011930
-    0SOL     H3    3  -0.035540  -0.059192  -0.066299
-    1SOL     O4    4  -0.180797   0.188021   0.015558
-    1SOL     H5    5  -0.243071   0.162331   0.083560
-    1SOL     H6    6  -0.129428   0.258296   0.055369
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085370  -0.039631   0.017429
-    0SOL     H3    3   0.005473   0.004187  -0.095472
-    1SOL     O4    4   0.077917   0.230044   0.095995
-    1SOL     H5    5   0.143842   0.254594   0.031084
-    1SOL     H6    6   0.044661   0.145568   0.065660
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015934  -0.064330   0.069065
-    0SOL     H3    3  -0.093556   0.019249   0.006253
-    1SOL     O4    4  -0.095708  -0.264942  -0.167738
-    1SOL     H5    5  -0.028775  -0.327140  -0.139214
-    1SOL     H6    6  -0.160045  -0.318521  -0.214133
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057226  -0.072552  -0.024974
-    0SOL     H3    3  -0.017338   0.013256   0.093199
-    1SOL     O4    4  -0.189627   0.064040   0.229835
-    1SOL     H5    5  -0.228488   0.131806   0.174519
-    1SOL     H6    6  -0.251817  -0.008625   0.226034
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066612  -0.043665   0.053090
-    0SOL     H3    3  -0.045346   0.023275  -0.081021
-    1SOL     O4    4   0.165871   0.153576   0.179028
-    1SOL     H5    5   0.123045   0.100110   0.112173
-    1SOL     H6    6   0.229611   0.094790   0.219571
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068173  -0.065714  -0.014015
-    0SOL     H3    3  -0.075241  -0.049887   0.031818
-    1SOL     O4    4   0.032760  -0.234283   0.278525
-    1SOL     H5    5   0.102480  -0.221588   0.214180
-    1SOL     H6    6   0.076952  -0.271751   0.354718
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053084  -0.026791   0.075011
-    0SOL     H3    3  -0.033793   0.086254   0.024097
-    1SOL     O4    4   0.228687   0.021752  -0.150434
-    1SOL     H5    5   0.150578   0.020015  -0.095132
-    1SOL     H6    6   0.280365  -0.053384  -0.121344
-  3.000000   3.000000   3.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.200073  -0.194544  -0.214083
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4  -0.080430   0.232327  -0.102028
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-    6
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-    1SOL     O4    4  -0.086087   0.112918  -0.222739
-    1SOL     H5    5  -0.153546   0.180603  -0.228253
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-    6
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-    1SOL     O4    4  -0.288096  -0.133593   0.183359
-    1SOL     H5    5  -0.234498  -0.196811   0.135472
-    1SOL     H6    6  -0.224993  -0.072145   0.220836
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-    6
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-    0SOL     H2    2   0.039310   0.067244   0.055636
-    0SOL     H3    3  -0.053163   0.048889  -0.062817
-    1SOL     O4    4   0.155598   0.165622   0.169441
-    1SOL     H5    5   0.211936   0.174579   0.092576
-    1SOL     H6    6   0.212939   0.129755   0.237175
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065538   0.066101   0.022311
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-    1SOL     O4    4  -0.137853   0.217637   0.063999
-    1SOL     H5    5  -0.091786   0.287659   0.110227
-    1SOL     H6    6  -0.212647   0.197024   0.120064
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085826   0.038184   0.018391
-    0SOL     H3    3   0.060995   0.073403   0.007341
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-    1SOL     H5    5   0.171225   0.336723  -0.225811
-    1SOL     H6    6   0.037920   0.365194  -0.159946
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-    6
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-    0SOL     H2    2   0.065668   0.021849  -0.066126
-    0SOL     H3    3  -0.044581   0.082807   0.017827
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-    1SOL     H5    5   0.262658  -0.078995  -0.116360
-    1SOL     H6    6   0.178369  -0.067841  -0.241619
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061360  -0.024928   0.069108
-    0SOL     H3    3   0.041603   0.079845   0.032500
-    1SOL     O4    4  -0.177853   0.140808  -0.184978
-    1SOL     H5    5  -0.128856   0.065741  -0.151414
-    1SOL     H6    6  -0.229487   0.105345  -0.257356
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.061588   0.039188  -0.061916
-    0SOL     H3    3  -0.043783  -0.068862  -0.050034
-    1SOL     O4    4   0.169218   0.086295  -0.241177
-    1SOL     H5    5   0.251738   0.132522  -0.255873
-    1SOL     H6    6   0.102216   0.154425  -0.246783
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.086871   0.038792   0.010529
-    0SOL     H3    3  -0.000950  -0.076835   0.057078
-    1SOL     O4    4   0.196538   0.196392   0.011264
-    1SOL     H5    5   0.218799   0.246192   0.089920
-    1SOL     H6    6   0.129848   0.134180   0.040321
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.021473   0.074070   0.056700
-    0SOL     H3    3  -0.022240   0.039845  -0.084143
-    1SOL     O4    4  -0.087483   0.129616  -0.234339
-    1SOL     H5    5  -0.090768   0.071052  -0.309981
-    1SOL     H6    6  -0.154742   0.195399  -0.251979
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073133  -0.053764   0.030386
-    0SOL     H3    3   0.063437  -0.062946  -0.034291
-    1SOL     O4    4   0.225765  -0.129722  -0.057639
-    1SOL     H5    5   0.230668  -0.163186  -0.147184
-    1SOL     H6    6   0.301745  -0.072095  -0.049361
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039763   0.070748   0.050754
-    0SOL     H3    3   0.059069  -0.074344   0.012092
-    1SOL     O4    4   0.119836   0.216704   0.103566
-    1SOL     H5    5   0.066330   0.292699   0.126463
-    1SOL     H6    6   0.185612   0.251012   0.043078
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.041509  -0.072562   0.046627
-    0SOL     H3    3  -0.085345  -0.034240  -0.026575
-    1SOL     O4    4   0.168059   0.059541  -0.214215
-    1SOL     H5    5   0.228383  -0.013985  -0.225041
-    1SOL     H6    6   0.108150   0.031447  -0.145049
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069045  -0.052292  -0.040751
-    0SOL     H3    3  -0.059238  -0.064456   0.038713
-    1SOL     O4    4  -0.074888   0.234652  -0.151074
-    1SOL     H5    5  -0.060528   0.217496  -0.244142
-    1SOL     H6    6  -0.052655   0.152235  -0.107768
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081155   0.050702   0.002363
-    0SOL     H3    3  -0.018767  -0.077794   0.052519
-    1SOL     O4    4   0.088280  -0.239579   0.148829
-    1SOL     H5    5   0.031872  -0.314925   0.166248
-    1SOL     H6    6   0.155758  -0.273239   0.089871
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.038467  -0.087651  -0.000143
-    0SOL     H3    3   0.077752  -0.007824  -0.055279
-    1SOL     O4    4  -0.212598  -0.163903  -0.008501
-    1SOL     H5    5  -0.281753  -0.166856   0.057614
-    1SOL     H6    6  -0.235962  -0.089777  -0.064374
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045883   0.080993   0.022297
-    0SOL     H3    3   0.047687   0.020774  -0.080354
-    1SOL     O4    4   0.170216   0.038387  -0.198039
-    1SOL     H5    5   0.221356   0.105468  -0.243284
-    1SOL     H6    6   0.123499  -0.007383  -0.267931
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044832  -0.079182  -0.029710
-    0SOL     H3    3  -0.064261  -0.031267   0.063681
-    1SOL     O4    4  -0.092513  -0.341586   0.079078
-    1SOL     H5    5  -0.103266  -0.291585   0.159990
-    1SOL     H6    6  -0.172379  -0.393926   0.072418
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.049265  -0.081401   0.010450
-    0SOL     H3    3   0.056264  -0.015569  -0.075857
-    1SOL     O4    4   0.086052  -0.359311  -0.094956
-    1SOL     H5    5   0.167942  -0.407552  -0.106320
-    1SOL     H6    6   0.083435  -0.298696  -0.168992
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.002820  -0.040214   0.086817
-    1SOL     O4    4   0.114221  -0.319967  -0.023710
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-    1SOL     H6    6   0.164184  -0.393905   0.010919
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.050536  -0.055601   0.059304
-    0SOL     H3    3  -0.051169  -0.061387  -0.052685
-    1SOL     O4    4   0.247291  -0.238368  -0.080600
-    1SOL     H5    5   0.279743  -0.200555  -0.162328
-    1SOL     H6    6   0.245458  -0.164926  -0.019240
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.057457  -0.027336   0.071510
-    1SOL     O4    4   0.114456   0.190885   0.151185
-    1SOL     H5    5   0.099407   0.106659   0.108268
-    1SOL     H6    6   0.040357   0.245143   0.124211
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016335  -0.054019  -0.077314
-    0SOL     H3    3   0.079778   0.051878   0.010321
-    1SOL     O4    4   0.250122  -0.168005  -0.204108
-    1SOL     H5    5   0.328583  -0.192830  -0.252995
-    1SOL     H6    6   0.283500  -0.130072  -0.122811
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075949  -0.043261   0.039020
-    0SOL     H3    3   0.022291   0.069660   0.061748
-    1SOL     O4    4  -0.009004  -0.215537   0.274749
-    1SOL     H5    5  -0.077625  -0.222630   0.341105
-    1SOL     H6    6  -0.046331  -0.257202   0.197076
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063946  -0.017456  -0.069054
-    0SOL     H3    3  -0.050987   0.074123  -0.032686
-    1SOL     O4    4  -0.001975  -0.248820  -0.255786
-    1SOL     H5    5   0.079985  -0.225252  -0.299255
-    1SOL     H6    6   0.024959  -0.302535  -0.181278
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016238   0.094229   0.004425
-    0SOL     H3    3   0.056242  -0.011087  -0.076656
-    1SOL     O4    4  -0.212467   0.052382  -0.243558
-    1SOL     H5    5  -0.130101   0.097639  -0.261724
-    1SOL     H6    6  -0.279816   0.109165  -0.281002
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047780   0.058165  -0.059129
-    0SOL     H3    3  -0.061603  -0.017870   0.071050
-    1SOL     O4    4   0.146914  -0.235454  -0.067598
-    1SOL     H5    5   0.097933  -0.160130  -0.034592
-    1SOL     H6    6   0.196855  -0.266561   0.007904
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039370   0.065482   0.057658
-    0SOL     H3    3  -0.078334  -0.029093   0.046687
-    1SOL     O4    4   0.218845  -0.168607  -0.009091
-    1SOL     H5    5   0.133795  -0.124750  -0.006763
-    1SOL     H6    6   0.275422  -0.114175   0.045668
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021568   0.052428  -0.077126
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-    1SOL     O4    4   0.195551  -0.212439   0.080290
-    1SOL     H5    5   0.284603  -0.177870   0.086386
-    1SOL     H6    6   0.143062  -0.138336   0.050027
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074813   0.028579   0.052427
-    0SOL     H3    3   0.057100  -0.045055   0.062225
-    1SOL     O4    4   0.172381  -0.121530   0.194333
-    1SOL     H5    5   0.225149  -0.194936   0.162877
-    1SOL     H6    6   0.235695  -0.061771   0.234116
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015719   0.078905   0.051858
-    0SOL     H3    3  -0.020517   0.032572  -0.087638
-    1SOL     O4    4  -0.071181   0.138396  -0.209964
-    1SOL     H5    5  -0.056003   0.075567  -0.280565
-    1SOL     H6    6   0.007292   0.193205  -0.209332
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081632   0.028513  -0.041055
-    0SOL     H3    3   0.026338  -0.031441   0.086487
-    1SOL     O4    4  -0.045059   0.289707  -0.221959
-    1SOL     H5    5  -0.054524   0.341115  -0.302146
-    1SOL     H6    6   0.029047   0.231650  -0.239279
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044048  -0.044233   0.072564
-    0SOL     H3    3  -0.054213  -0.067909  -0.040144
-    1SOL     O4    4  -0.106582  -0.202150  -0.167641
-    1SOL     H5    5  -0.176334  -0.263974  -0.145850
-    1SOL     H6    6  -0.115017  -0.188750  -0.262042
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095049   0.010112  -0.005084
-    0SOL     H3    3   0.033368   0.089512   0.006040
-    1SOL     O4    4  -0.238297   0.126356   0.022013
-    1SOL     H5    5  -0.315381   0.089402   0.065079
-    1SOL     H6    6  -0.190953   0.171328   0.092001
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048406   0.026534   0.078199
-    0SOL     H3    3  -0.025999   0.082378  -0.041234
-    1SOL     O4    4  -0.148560  -0.224123   0.073231
-    1SOL     H5    5  -0.098837  -0.146773   0.046645
-    1SOL     H6    6  -0.221133  -0.189354   0.125063
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.029188  -0.053065   0.074125
-    0SOL     H3    3  -0.066840   0.067970  -0.008651
-    1SOL     O4    4   0.243165   0.135233  -0.021532
-    1SOL     H5    5   0.203926   0.197669  -0.082560
-    1SOL     H6    6   0.175384   0.069000  -0.008071
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.055042   0.072728   0.029041
-    0SOL     H3    3   0.061441   0.039593  -0.061804
-    1SOL     O4    4  -0.100050  -0.231307  -0.123163
-    1SOL     H5    5  -0.085547  -0.154417  -0.068027
-    1SOL     H6    6  -0.075201  -0.202812  -0.211100
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-    6
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-    0SOL     H3    3   0.094389   0.014113   0.007338
-    1SOL     O4    4  -0.136076  -0.086296   0.238789
-    1SOL     H5    5  -0.071113  -0.035185   0.190521
-    1SOL     H6    6  -0.192340  -0.123741   0.171006
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020092   0.019095  -0.091619
-    0SOL     H3    3   0.060678  -0.073941  -0.003645
-    1SOL     O4    4  -0.173959  -0.195578  -0.052509
-    1SOL     H5    5  -0.264527  -0.165015  -0.047457
-    1SOL     H6    6  -0.123279  -0.128002  -0.007482
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060502   0.046959   0.057417
-    0SOL     H3    3   0.070503  -0.028911   0.057929
-    1SOL     O4    4  -0.326335   0.007679  -0.115874
-    1SOL     H5    5  -0.271285   0.035687  -0.189000
-    1SOL     H6    6  -0.382285  -0.060669  -0.152758
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.050528  -0.081285  -0.001372
-    0SOL     H3    3  -0.079365  -0.021898   0.048826
-    1SOL     O4    4   0.151115  -0.215328  -0.070564
-    1SOL     H5    5   0.217223  -0.187205  -0.133819
-    1SOL     H6    6   0.106895  -0.288784  -0.113121
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.062911   0.018361  -0.069766
-    0SOL     H3    3  -0.068956  -0.050881  -0.042645
-    1SOL     O4    4  -0.199067   0.177630   0.116254
-    1SOL     H5    5  -0.179794   0.090924   0.080577
-    1SOL     H6    6  -0.267129   0.162053   0.181731
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060882  -0.058113   0.045591
-    0SOL     H3    3   0.048888   0.081433  -0.011872
-    1SOL     O4    4  -0.108697   0.330049   0.012692
-    1SOL     H5    5  -0.137529   0.312584  -0.076896
-    1SOL     H6    6  -0.035336   0.390748   0.002890
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.085672   0.040001  -0.014917
-    0SOL     H3    3  -0.010800  -0.061387  -0.072645
-    1SOL     O4    4  -0.191071  -0.036517   0.193338
-    1SOL     H5    5  -0.239645  -0.113480   0.163682
-    1SOL     H6    6  -0.134187  -0.014181   0.119665
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.043359  -0.041926   0.074327
-    0SOL     H3    3   0.068711   0.008723  -0.066069
-    1SOL     O4    4   0.158855  -0.113690   0.193140
-    1SOL     H5    5   0.227521  -0.148446   0.136224
-    1SOL     H6    6   0.205305  -0.083921   0.271361
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/219/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049743   0.076770  -0.028183
-    0SOL     H3    3  -0.039946  -0.033509  -0.080273
-    1SOL     O4    4   0.156615   0.189229  -0.120794
-    1SOL     H5    5   0.142120   0.269216  -0.171334
-    1SOL     H6    6   0.230735   0.146696  -0.163915
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/220/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085882  -0.042158  -0.003050
-    0SOL     H3    3   0.058414  -0.067069   0.035382
-    1SOL     O4    4   0.193298  -0.200489   0.049112
-    1SOL     H5    5   0.191329  -0.256006   0.127063
-    1SOL     H6    6   0.256243  -0.131566   0.070320
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/221/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061690  -0.030228   0.066655
-    0SOL     H3    3   0.069893  -0.065399   0.000565
-    1SOL     O4    4   0.136047   0.136550   0.184840
-    1SOL     H5    5   0.094498   0.115370   0.101249
-    1SOL     H6    6   0.188392   0.214570   0.166535
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/222/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012660  -0.079301  -0.052090
-    0SOL     H3    3  -0.044316  -0.018366   0.082832
-    1SOL     O4    4   0.190792   0.002050   0.263821
-    1SOL     H5    5   0.143643   0.080384   0.292159
-    1SOL     H6    6   0.243063  -0.023331   0.339886
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057124   0.040729  -0.065118
-    0SOL     H3    3  -0.060027  -0.038815   0.063658
-    1SOL     O4    4   0.077215   0.284960  -0.215728
-    1SOL     H5    5  -0.018096   0.276573  -0.212928
-    1SOL     H6    6   0.095857   0.363950  -0.164979
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036275  -0.083067  -0.030762
-    0SOL     H3    3  -0.065283   0.023558  -0.065920
-    1SOL     O4    4  -0.188148   0.111383  -0.140773
-    1SOL     H5    5  -0.134653   0.186242  -0.167169
-    1SOL     H6    6  -0.202285   0.062262  -0.221703
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/225/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074783   0.028244  -0.052651
-    0SOL     H3    3   0.038909  -0.034727   0.080265
-    1SOL     O4    4   0.163618   0.194960   0.164014
-    1SOL     H5    5   0.122351   0.254602   0.101547
-    1SOL     H6    6   0.094639   0.175009   0.227309
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/226/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078179   0.020302   0.051363
-    0SOL     H3    3  -0.033763  -0.038180  -0.081022
-    1SOL     O4    4   0.191913   0.090443   0.221167
-    1SOL     H5    5   0.101848   0.121614   0.230051
-    1SOL     H6    6   0.197364   0.015571   0.280554
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/227/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057583  -0.068356   0.034263
-    0SOL     H3    3  -0.059302   0.070396  -0.026266
-    1SOL     O4    4   0.045236  -0.082135   0.362123
-    1SOL     H5    5  -0.027164  -0.019922   0.369201
-    1SOL     H6    6   0.032600  -0.142128   0.435632
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/228/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.058464  -0.046844   0.059581
-    0SOL     H3    3  -0.028538  -0.066402  -0.062759
-    1SOL     O4    4   0.181131   0.149873  -0.058655
-    1SOL     H5    5   0.095936   0.116874  -0.030103
-    1SOL     H6    6   0.185996   0.238317  -0.022376
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024199  -0.080274  -0.046183
-    0SOL     H3    3  -0.049446   0.068984  -0.044257
-    1SOL     O4    4  -0.193053  -0.080971   0.203028
-    1SOL     H5    5  -0.115347  -0.060201   0.151136
-    1SOL     H6    6  -0.158430  -0.115088   0.285487
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.050487   0.072186   0.037452
-    0SOL     H3    3  -0.048952   0.039771  -0.072002
-    1SOL     O4    4   0.127450   0.158359   0.203229
-    1SOL     H5    5   0.055819   0.205148   0.246149
-    1SOL     H6    6   0.185297   0.227447   0.170935
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067627  -0.028128  -0.061626
-    0SOL     H3    3  -0.046195   0.070386  -0.045543
-    1SOL     O4    4   0.208033  -0.192898   0.132830
-    1SOL     H5    5   0.135367  -0.175473   0.192649
-    1SOL     H6    6   0.166234  -0.225672   0.053199
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073856  -0.059297   0.013839
-    0SOL     H3    3  -0.031311   0.020311   0.088144
-    1SOL     O4    4  -0.132613   0.093009   0.224600
-    1SOL     H5    5  -0.112535   0.048495   0.306926
-    1SOL     H6    6  -0.100246   0.182227   0.237044
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093925   0.009966   0.015527
-    0SOL     H3    3   0.021838  -0.084826   0.038600
-    1SOL     O4    4   0.177063   0.191111   0.013007
-    1SOL     H5    5   0.156790   0.246010  -0.062739
-    1SOL     H6    6   0.106495   0.126484   0.015381
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073158   0.021232  -0.057961
-    0SOL     H3    3   0.039575  -0.007511   0.086832
-    1SOL     O4    4   0.067055  -0.132908   0.226372
-    1SOL     H5    5   0.069354  -0.076877   0.303945
-    1SOL     H6    6   0.141701  -0.191855   0.237124
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022825   0.079359   0.048409
-    0SOL     H3    3   0.050109   0.006245  -0.081316
-    1SOL     O4    4   0.148465  -0.214558   0.082395
-    1SOL     H5    5   0.129693  -0.254347  -0.002615
-    1SOL     H6    6   0.085715  -0.142636   0.089611
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045700  -0.083695  -0.008307
-    0SOL     H3    3  -0.020878   0.024982  -0.090013
-    1SOL     O4    4  -0.165506   0.181277  -0.165339
-    1SOL     H5    5  -0.098994   0.247514  -0.184080
-    1SOL     H6    6  -0.201629   0.158622  -0.251037
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077921  -0.055004  -0.008068
-    0SOL     H3    3   0.004875   0.059629  -0.074719
-    1SOL     O4    4   0.044152  -0.172917   0.316289
-    1SOL     H5    5   0.111904  -0.105407   0.312486
-    1SOL     H6    6   0.085877  -0.246273   0.361458
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084779   0.028200  -0.034344
-    0SOL     H3    3  -0.021988  -0.077788  -0.051263
-    1SOL     O4    4  -0.193016   0.199407   0.006853
-    1SOL     H5    5  -0.213199   0.240071  -0.077417
-    1SOL     H6    6  -0.125611   0.134516  -0.013344
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/239/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.062087   0.045592   0.056824
-    0SOL     H3    3  -0.005139   0.054489  -0.078530
-    1SOL     O4    4   0.136662   0.105326   0.196276
-    1SOL     H5    5   0.048965   0.131269   0.224534
-    1SOL     H6    6   0.156329   0.027109   0.247827
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/240/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060335   0.030870   0.067595
-    0SOL     H3    3  -0.054876  -0.011942  -0.077513
-    1SOL     O4    4  -0.160183   0.086842   0.249406
-    1SOL     H5    5  -0.248218   0.115552   0.273654
-    1SOL     H6    6  -0.103555   0.160181   0.273427
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022641  -0.033593  -0.086725
-    0SOL     H3    3   0.011569  -0.074868   0.058508
-    1SOL     O4    4   0.190021   0.174161   0.066895
-    1SOL     H5    5   0.140325   0.092597   0.073206
-    1SOL     H6    6   0.175217   0.217835   0.150775
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.065025  -0.002613  -0.070194
-    0SOL     H3    3   0.032879  -0.061596   0.065477
-    1SOL     O4    4  -0.160630  -0.171209  -0.143443
-    1SOL     H5    5  -0.108099  -0.121737  -0.080552
-    1SOL     H6    6  -0.198051  -0.104602  -0.201109
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.090723  -0.030117   0.004965
-    0SOL     H3    3   0.004569   0.081907  -0.049322
-    1SOL     O4    4   0.146171   0.270968   0.122117
-    1SOL     H5    5   0.054404   0.296966   0.130192
-    1SOL     H6    6   0.149820   0.183480   0.160780
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082444  -0.022789   0.042964
-    0SOL     H3    3  -0.025706   0.056658  -0.072742
-    1SOL     O4    4  -0.078009   0.162459  -0.195532
-    1SOL     H5    5  -0.079134   0.104277  -0.271532
-    1SOL     H6    6  -0.000077   0.216635  -0.207935
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020096  -0.030232   0.088569
-    0SOL     H3    3  -0.008309  -0.078233  -0.054525
-    1SOL     O4    4  -0.056896  -0.233945  -0.149816
-    1SOL     H5    5   0.025860  -0.280273  -0.162754
-    1SOL     H6    6  -0.122820  -0.291146  -0.189116
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063257   0.038443   0.060687
-    0SOL     H3    3  -0.053285  -0.050595  -0.061344
-    1SOL     O4    4   0.147662   0.247608  -0.018777
-    1SOL     H5    5   0.107952   0.164477   0.007198
-    1SOL     H6    6   0.202721   0.272170   0.055570
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068849   0.044150   0.049728
-    0SOL     H3    3   0.040097  -0.081956  -0.028945
-    1SOL     O4    4  -0.163855  -0.105323   0.188344
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-    6
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-    0SOL     H3    3   0.072772  -0.039162   0.048300
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-    1SOL     H5    5   0.115670   0.125024  -0.300419
-    1SOL     H6    6   0.092506   0.039578  -0.177613
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-    6
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-    0SOL     H3    3  -0.015546  -0.084344  -0.042505
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-    1SOL     H5    5  -0.162983  -0.310685  -0.122953
-    1SOL     H6    6  -0.068785  -0.238273  -0.216772
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.076303  -0.056666  -0.011363
-    1SOL     O4    4   0.205715  -0.164473  -0.004613
-    1SOL     H5    5   0.284278  -0.120643  -0.037310
-    1SOL     H6    6   0.187904  -0.233007  -0.069019
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-    6
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-    0SOL     H3    3   0.039122  -0.056482   0.066645
-    1SOL     O4    4  -0.171436   0.204548  -0.046565
-    1SOL     H5    5  -0.264438   0.182006  -0.044385
-    1SOL     H6    6  -0.126666   0.124355  -0.019600
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008446   0.086458  -0.040200
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-    1SOL     O4    4  -0.180201   0.075543   0.204159
-    1SOL     H5    5  -0.225702  -0.004156   0.231361
-    1SOL     H6    6  -0.130426   0.049498   0.126658
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-    6
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-    0SOL     H2    2  -0.065384  -0.026616   0.064645
-    0SOL     H3    3   0.064431  -0.070787   0.000487
-    1SOL     O4    4   0.221937  -0.190457  -0.027649
-    1SOL     H5    5   0.259851  -0.250739   0.036311
-    1SOL     H6    6   0.279260  -0.113834  -0.025328
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-    6
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-    0SOL     H2    2  -0.066800   0.043775   0.052763
-    0SOL     H3    3   0.050105  -0.051874   0.062935
-    1SOL     O4    4  -0.266188  -0.236848   0.069111
-    1SOL     H5    5  -0.176082  -0.267515   0.058971
-    1SOL     H6    6  -0.277986  -0.227872   0.163676
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082291   0.041513  -0.025828
-    0SOL     H3    3  -0.024345  -0.053903  -0.075261
-    1SOL     O4    4  -0.174739   0.216467  -0.041156
-    1SOL     H5    5  -0.188945   0.252991  -0.128485
-    1SOL     H6    6  -0.109954   0.147247  -0.054340
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069342  -0.019589  -0.063010
-    0SOL     H3    3  -0.055423   0.064131  -0.044473
-    1SOL     O4    4   0.114450  -0.068783  -0.238328
-    1SOL     H5    5   0.200957  -0.109560  -0.242353
-    1SOL     H6    6   0.118913   0.003231  -0.301227
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.047019  -0.018500  -0.081297
-    0SOL     H3    3   0.025878  -0.070559   0.059279
-    1SOL     O4    4  -0.195784   0.198973   0.024649
-    1SOL     H5    5  -0.129748   0.218202   0.091221
-    1SOL     H6    6  -0.162563   0.121313  -0.020380
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069653   0.062913   0.018781
-    0SOL     H3    3  -0.042159  -0.067198  -0.053566
-    1SOL     O4    4  -0.184102   0.176339   0.077457
-    1SOL     H5    5  -0.245992   0.198370   0.007839
-    1SOL     H6    6  -0.148487   0.260653   0.105474
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029578  -0.066297   0.062387
-    0SOL     H3    3  -0.089239   0.020847   0.027641
-    1SOL     O4    4   0.089826  -0.310842  -0.058089
-    1SOL     H5    5   0.150116  -0.265855  -0.117281
-    1SOL     H6    6   0.046240  -0.375908  -0.113126
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/260/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.037997   0.045499   0.075155
-    0SOL     H3    3  -0.052416   0.066650  -0.044415
-    1SOL     O4    4   0.175575  -0.042752  -0.193795
-    1SOL     H5    5   0.113108  -0.104272  -0.232208
-    1SOL     H6    6   0.140503  -0.024190  -0.106688
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018718   0.083611   0.042675
-    0SOL     H3    3   0.069069  -0.058668   0.030821
-    1SOL     O4    4  -0.395908   0.081818  -0.080645
-    1SOL     H5    5  -0.366504   0.105091   0.007424
-    1SOL     H6    6  -0.462717   0.014706  -0.066687
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.064629  -0.048484  -0.051329
-    0SOL     H3    3  -0.060185   0.036078  -0.065104
-    1SOL     O4    4   0.029856   0.138195   0.230488
-    1SOL     H5    5   0.036818   0.089374   0.148449
-    1SOL     H6    6   0.108190   0.193171   0.232421
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011897   0.061985   0.071963
-    0SOL     H3    3   0.038002   0.043957  -0.076065
-    1SOL     O4    4  -0.189222  -0.188893  -0.027458
-    1SOL     H5    5  -0.113931  -0.132468  -0.045059
-    1SOL     H6    6  -0.253239  -0.131192   0.014192
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055800  -0.060776   0.048528
-    0SOL     H3    3   0.056775   0.035172  -0.068570
-    1SOL     O4    4  -0.291061  -0.121226   0.123722
-    1SOL     H5    5  -0.214580  -0.176297   0.140460
-    1SOL     H6    6  -0.271449  -0.077454   0.040886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/265/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006488   0.051521   0.080410
-    0SOL     H3    3  -0.080595  -0.050592   0.010351
-    1SOL     O4    4   0.057527   0.197878   0.176697
-    1SOL     H5    5   0.112091   0.244957   0.113699
-    1SOL     H6    6   0.021138   0.266353   0.232816
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077480   0.054481  -0.013819
-    0SOL     H3    3  -0.001790  -0.021029   0.093364
-    1SOL     O4    4  -0.118405  -0.046444   0.246219
-    1SOL     H5    5  -0.176824  -0.110795   0.206113
-    1SOL     H6    6  -0.072788  -0.094995   0.314952
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047334  -0.080426   0.021297
-    0SOL     H3    3  -0.056876   0.045612  -0.062023
-    1SOL     O4    4   0.135500   0.187566   0.134893
-    1SOL     H5    5   0.067958   0.129412   0.099983
-    1SOL     H6    6   0.181252   0.134688   0.200261
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.013809  -0.062918  -0.070802
-    1SOL     O4    4  -0.075640  -0.241086  -0.157798
-    1SOL     H5    5  -0.120942  -0.186358  -0.221946
-    1SOL     H6    6  -0.137632  -0.249451  -0.085345
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.085900  -0.042192  -0.001816
-    0SOL     H3    3  -0.062419  -0.072513  -0.002848
-    1SOL     O4    4   0.257716  -0.136107   0.006455
-    1SOL     H5    5   0.310367  -0.173403   0.077161
-    1SOL     H6    6   0.321298  -0.113373  -0.061389
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016553   0.062964   0.070170
-    0SOL     H3    3   0.047936   0.034739  -0.075217
-    1SOL     O4    4   0.134917   0.045070  -0.217812
-    1SOL     H5    5   0.098055   0.074659  -0.301046
-    1SOL     H6    6   0.182447   0.121073  -0.184244
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.033425  -0.008859   0.089256
-    0SOL     H3    3   0.063014   0.057330  -0.043644
-    1SOL     O4    4   0.097328  -0.010057   0.243338
-    1SOL     H5    5   0.098755   0.054962   0.313572
-    1SOL     H6    6   0.172603   0.012153   0.188541
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077017  -0.049481   0.027970
-    0SOL     H3    3  -0.000784   0.078557   0.054685
-    1SOL     O4    4   0.111053  -0.302545  -0.207336
-    1SOL     H5    5   0.070642  -0.238978  -0.266400
-    1SOL     H6    6   0.041523  -0.365668  -0.188807
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030832   0.024159  -0.087339
-    0SOL     H3    3  -0.072660  -0.060221  -0.016006
-    1SOL     O4    4   0.206482  -0.189520   0.057323
-    1SOL     H5    5   0.184059  -0.234655  -0.024054
-    1SOL     H6    6   0.132092  -0.131620   0.073936
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075355   0.038685  -0.044580
-    0SOL     H3    3  -0.020953  -0.077916  -0.051502
-    1SOL     O4    4  -0.264105  -0.127768   0.195168
-    1SOL     H5    5  -0.299558  -0.089084   0.115112
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.047724  -0.082974  -0.000190
-    0SOL     H3    3   0.061077   0.062727   0.038694
-    1SOL     O4    4   0.150314  -0.229500  -0.021746
-    1SOL     H5    5   0.177432  -0.282082   0.053500
-    1SOL     H6    6   0.105025  -0.291291  -0.079133
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082833  -0.047749   0.004580
-    0SOL     H3    3   0.066456  -0.068146  -0.010103
-    1SOL     O4    4  -0.204182  -0.176227   0.041398
-    1SOL     H5    5  -0.268142  -0.171579   0.112460
-    1SOL     H6    6  -0.156000  -0.257306   0.057740
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093065  -0.021146  -0.007353
-    0SOL     H3    3  -0.012145   0.075295  -0.057840
-    1SOL     O4    4  -0.124498   0.221263  -0.115000
-    1SOL     H5    5  -0.182250   0.184267  -0.181771
-    1SOL     H6    6  -0.179863   0.229671  -0.037370
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069292   0.020604   0.062741
-    0SOL     H3    3   0.041401  -0.078881   0.035015
-    1SOL     O4    4   0.213888   0.151710  -0.070247
-    1SOL     H5    5   0.263433   0.078691  -0.033154
-    1SOL     H6    6   0.122597   0.131768  -0.049495
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075316  -0.055189   0.021069
-    0SOL     H3    3  -0.049493   0.005294   0.081760
-    1SOL     O4    4  -0.090265   0.219605  -0.123896
-    1SOL     H5    5  -0.155049   0.249286  -0.059987
-    1SOL     H6    6  -0.043034   0.149294  -0.079310
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024349   0.059596   0.070836
-    0SOL     H3    3   0.049916   0.030915  -0.075597
-    1SOL     O4    4  -0.100620   0.266948  -0.105716
-    1SOL     H5    5  -0.162797   0.329637  -0.142681
-    1SOL     H6    6  -0.147918   0.226167  -0.033175
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082722  -0.005188  -0.047880
-    0SOL     H3    3  -0.038709   0.082982  -0.027892
-    1SOL     O4    4  -0.165379  -0.190625   0.068046
-    1SOL     H5    5  -0.110464  -0.246384   0.123161
-    1SOL     H6    6  -0.109094  -0.116682   0.045094
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.015306  -0.038051  -0.086488
-    0SOL     H3    3  -0.078078   0.052625   0.017226
-    1SOL     O4    4  -0.065939  -0.067223  -0.260929
-    1SOL     H5    5  -0.011847  -0.092537  -0.335732
-    1SOL     H6    6  -0.115367   0.008762  -0.291677
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079678   0.043211  -0.030765
-    0SOL     H3    3  -0.028346  -0.053617  -0.074054
-    1SOL     O4    4  -0.098365  -0.221189  -0.146677
-    1SOL     H5    5  -0.060135  -0.306191  -0.168482
-    1SOL     H6    6  -0.134478  -0.189199  -0.229350
-  3.000000   3.000000   3.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4   0.225329   0.151001  -0.088423
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-    1SOL     H6    6   0.224335   0.218335  -0.020398
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.014170   0.032219  -0.089014
-    1SOL     O4    4   0.167443  -0.193857  -0.086462
-    1SOL     H5    5   0.227675  -0.169425  -0.156730
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-    6
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-    0SOL     H3    3   0.083969   0.031952  -0.033025
-    1SOL     O4    4  -0.205426   0.169099  -0.064203
-    1SOL     H5    5  -0.197983   0.211109  -0.149890
-    1SOL     H6    6  -0.128524   0.112388  -0.058519
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068496  -0.066860   0.000565
-    0SOL     H3    3  -0.011607   0.023245   0.092126
-    1SOL     O4    4  -0.184423  -0.188325  -0.020249
-    1SOL     H5    5  -0.271153  -0.156409   0.004683
-    1SOL     H6    6  -0.125989  -0.114301  -0.003870
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-    6
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-    0SOL     H2    2   0.071138   0.025890  -0.058579
-    0SOL     H3    3   0.043448  -0.046855   0.071269
-    1SOL     O4    4  -0.182729   0.177377   0.062289
-    1SOL     H5    5  -0.190453   0.210682   0.151695
-    1SOL     H6    6  -0.097276   0.134309   0.060022
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-    6
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-    1SOL     O4    4  -0.070931  -0.264497   0.203827
-    1SOL     H5    5  -0.007430  -0.324879   0.165305
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-    6
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-    1SOL     O4    4   0.237547  -0.170359  -0.018886
-    1SOL     H5    5   0.249551  -0.199467   0.071507
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.012288  -0.080734   0.049933
-    1SOL     O4    4  -0.196038  -0.065855  -0.275173
-    1SOL     H5    5  -0.125792  -0.000865  -0.277208
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.047866  -0.053665  -0.063176
-    1SOL     O4    4  -0.057879  -0.140300  -0.233278
-    1SOL     H5    5  -0.083812  -0.097618  -0.314936
-    1SOL     H6    6   0.014000  -0.198343  -0.258312
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.099001  -0.043800   0.354186
-    1SOL     H6    6  -0.048706  -0.029613   0.324180
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.060828   0.067507   0.030084
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-    1SOL     H5    5   0.249904  -0.219822   0.005451
-    1SOL     H6    6   0.294296  -0.152811  -0.122836
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    1SOL     H5    5  -0.272509  -0.155958  -0.072197
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.299518  -0.058221  -0.077696
-    1SOL     H5    5  -0.298189  -0.117669  -0.002686
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.124017  -0.271198   0.243442
-    1SOL     H5    5  -0.203668  -0.218220   0.246802
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    1SOL     O4    4   0.186641   0.004573   0.223637
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.030861  -0.047400  -0.077222
-    1SOL     O4    4   0.050243  -0.168638   0.189903
-    1SOL     H5    5  -0.023756  -0.229346   0.190828
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-    6
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-    1SOL     H6    6  -0.255540  -0.185580   0.126357
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067327   0.067537  -0.008254
-    0SOL     H3    3  -0.081561   0.048722   0.011676
-    1SOL     O4    4  -0.076501  -0.103104  -0.222030
-    1SOL     H5    5  -0.027477  -0.069200  -0.147133
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032487   0.064340   0.062986
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-    1SOL     O4    4   0.088742   0.217120   0.165624
-    1SOL     H5    5   0.056778   0.172410   0.243993
-    1SOL     H6    6   0.182516   0.228528   0.181068
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.237457  -0.146548   0.071149
-    1SOL     H5    5   0.160638  -0.090450   0.081831
-    1SOL     H6    6   0.250633  -0.185881   0.157414
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.013499   0.045063   0.083363
-    1SOL     O4    4  -0.194445  -0.198536  -0.046723
-    1SOL     H5    5  -0.278189  -0.152189  -0.045565
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.066296  -0.067993   0.012005
-    1SOL     O4    4   0.216751  -0.167542  -0.029764
-    1SOL     H5    5   0.200723  -0.198271  -0.118989
-    1SOL     H6    6   0.277021  -0.093915  -0.040202
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045509  -0.039874   0.074171
-    0SOL     H3    3  -0.022091  -0.073649  -0.057010
-    1SOL     O4    4   0.331236  -0.159948  -0.077484
-    1SOL     H5    5   0.402806  -0.190334  -0.133311
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H6    6   0.179887  -0.144635   0.199122
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-    6
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-    0SOL     H2    2   0.065652   0.065525  -0.023634
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-    1SOL     H5    5   0.214234   0.223938  -0.014005
-    1SOL     H6    6   0.264358   0.085528  -0.049350
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-    6
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-    0SOL     H3    3   0.043906  -0.055277   0.064646
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-    1SOL     H5    5   0.149608   0.165526   0.166560
-    1SOL     H6    6   0.132871   0.261913   0.051025
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-    6
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-    0SOL     H2    2   0.089478   0.031292   0.013296
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-    1SOL     O4    4  -0.013358  -0.218039  -0.168324
-    1SOL     H5    5  -0.063267  -0.193196  -0.246133
-    1SOL     H6    6   0.032878  -0.297842  -0.193937
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.047422  -0.043236   0.071022
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-    1SOL     H5    5  -0.244771  -0.171847  -0.065973
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076630   0.039073  -0.041993
-    0SOL     H3    3   0.047580  -0.042299  -0.071479
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-    1SOL     H5    5  -0.077938  -0.087131   0.143491
-    1SOL     H6    6  -0.196760  -0.154816   0.208445
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.033126  -0.088449   0.015548
-    0SOL     H3    3   0.034124   0.023588  -0.086264
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-    1SOL     H5    5  -0.097922  -0.059878   0.385232
-    1SOL     H6    6  -0.096004   0.084040   0.432167
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039233  -0.080867  -0.032917
-    0SOL     H3    3   0.007903  -0.006499   0.095171
-    1SOL     O4    4  -0.319819   0.139060   0.147086
-    1SOL     H5    5  -0.273507   0.202967   0.201247
-    1SOL     H6    6  -0.291581   0.054053   0.180831
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052817   0.066025   0.044871
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-    1SOL     O4    4  -0.134481   0.129696  -0.210692
-    1SOL     H5    5  -0.146467   0.090109  -0.297015
-    1SOL     H6    6  -0.212396   0.183853  -0.198099
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.051314   0.047310   0.065505
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-    1SOL     H5    5   0.212830  -0.083049  -0.219853
-    1SOL     H6    6   0.114715  -0.100860  -0.105945
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048972   0.011464   0.081441
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-    1SOL     H5    5   0.204101  -0.101792  -0.128731
-    1SOL     H6    6   0.114762  -0.006399  -0.205136
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.065635  -0.069594  -0.003316
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.143713  -0.030431  -0.272303
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-    6
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-    0SOL     H3    3   0.024801   0.027071   0.088399
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.152536  -0.116827   0.054689
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.060669  -0.018544   0.071678
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-    1SOL     H5    5   0.277687  -0.120748  -0.060295
-    1SOL     H6    6   0.198339  -0.216037   0.026556
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.288356  -0.077414  -0.024976
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.041194  -0.076534  -0.040098
-    0SOL     H3    3  -0.026425   0.054590  -0.074054
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-    1SOL     H5    5   0.100287  -0.286899  -0.119977
-    1SOL     H6    6   0.118055  -0.270935   0.029516
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.014527   0.012827   0.093738
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-    1SOL     H5    5  -0.015496  -0.303900  -0.282336
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.031254   0.082813  -0.036436
-    1SOL     O4    4   0.207219  -0.066486   0.211186
-    1SOL     H5    5   0.149210  -0.045257   0.138066
-    1SOL     H6    6   0.294852  -0.044771   0.179385
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066240   0.041083  -0.055558
-    0SOL     H3    3  -0.050242  -0.045768   0.067405
-    1SOL     O4    4   0.073994  -0.191157  -0.221926
-    1SOL     H5    5   0.042475  -0.102875  -0.241295
-    1SOL     H6    6   0.155276  -0.199111  -0.271848
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024264  -0.012330   0.091769
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-    6
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-    6
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-    1SOL     H5    5   0.144526  -0.280382   0.113251
-    1SOL     H6    6   0.062815  -0.257977   0.238712
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-    6
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-    6
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-    1SOL     O4    4   0.249347   0.106382  -0.060790
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-    1SOL     H6    6   0.223965   0.122009  -0.151751
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-    6
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-    1SOL     H5    5  -0.170492  -0.172387  -0.245110
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-    6
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-    1SOL     H5    5   0.243520   0.225745  -0.011896
-    1SOL     H6    6   0.149760   0.188623  -0.124812
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.050808   0.316593   0.354789
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-    6
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-    1SOL     O4    4  -0.175649  -0.093484  -0.156818
-    1SOL     H5    5  -0.243326  -0.119774  -0.094441
-    1SOL     H6    6  -0.207437  -0.010908  -0.193330
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.072735  -0.060833   0.013091
-    1SOL     O4    4   0.017220   0.259061  -0.110755
-    1SOL     H5    5   0.009747   0.166864  -0.086135
-    1SOL     H6    6  -0.055312   0.273637  -0.171491
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063616   0.070319   0.013058
-    0SOL     H3    3  -0.045002  -0.062910  -0.056387
-    1SOL     O4    4  -0.021028   0.065912  -0.347092
-    1SOL     H5    5   0.032044  -0.007521  -0.316217
-    1SOL     H6    6  -0.110797   0.042022  -0.324004
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.007858   0.093133   0.020659
-    1SOL     O4    4  -0.068405  -0.159792  -0.209438
-    1SOL     H5    5  -0.007360  -0.220798  -0.250841
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024942   0.029974   0.087417
-    0SOL     H3    3  -0.026613   0.071131  -0.058262
-    1SOL     O4    4  -0.130806  -0.261367  -0.022395
-    1SOL     H5    5  -0.102034  -0.171787  -0.004790
-    1SOL     H6    6  -0.201274  -0.251785  -0.086465
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005644   0.086202   0.041227
-    0SOL     H3    3  -0.087528  -0.037333   0.010359
-    1SOL     O4    4  -0.205012  -0.172045  -0.008499
-    1SOL     H5    5  -0.157957  -0.239631   0.040289
-    1SOL     H6    6  -0.278793  -0.148744   0.047854
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.105085   0.189527   0.165521
-    1SOL     H5    5   0.019426   0.228318   0.183412
-    1SOL     H6    6   0.087473   0.121293   0.100743
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082790   0.044134   0.018982
-    0SOL     H3    3   0.060206   0.070776  -0.022985
-    1SOL     O4    4   0.141185  -0.260328   0.163466
-    1SOL     H5    5   0.203203  -0.333139   0.159647
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007479   0.071875  -0.062772
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-    1SOL     O4    4  -0.086761  -0.136976  -0.271820
-    1SOL     H5    5  -0.115532  -0.113594  -0.360069
-    1SOL     H6    6  -0.132969  -0.075795  -0.214514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VO-Mc/374/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029324   0.087191   0.026461
-    0SOL     H3    3  -0.027188   0.010469  -0.091178
-    1SOL     O4    4  -0.281502  -0.036539  -0.001703
-    1SOL     H5    5  -0.336423  -0.076077   0.065993
-    1SOL     H6    6  -0.192513  -0.063835   0.020617
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.230279   0.129485  -0.061182
-    1SOL     H5    5   0.151618   0.076496  -0.074106
-    1SOL     H6    6   0.212297   0.210969  -0.108079
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.061188  -0.168129   0.245907
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.084297   0.333888  -0.065723
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-    1SOL     H6    6   0.124095   0.286999   0.007624
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-    6
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-    6
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-    1SOL     H5    5   0.318404   0.050913  -0.105993
-    1SOL     H6    6   0.174724   0.018604  -0.070908
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.039426   0.079854  -0.035088
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-    1SOL     H5    5   0.135513  -0.214848  -0.154459
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.141988  -0.303160  -0.123425
-    1SOL     H6    6  -0.060398  -0.197214  -0.194400
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.286516  -0.092522  -0.001187
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-    6
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-    1SOL     H6    6   0.178818  -0.230458   0.122422
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.085932  -0.021268   0.036410
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-    1SOL     H5    5   0.180279  -0.133348  -0.209413
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.085389   0.041443  -0.012392
-    1SOL     O4    4  -0.090937   0.266434   0.040855
-    1SOL     H5    5  -0.184295   0.269559   0.019955
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.035838  -0.002446   0.088724
-    0SOL     H3    3   0.046914  -0.082923  -0.009228
-    1SOL     O4    4  -0.243501  -0.152331  -0.103851
-    1SOL     H5    5  -0.322299  -0.147780  -0.158004
-    1SOL     H6    6  -0.204361  -0.065278  -0.111067
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003198   0.092136   0.025750
-    0SOL     H3    3  -0.073306  -0.010528  -0.060644
-    1SOL     O4    4  -0.133208   0.167965  -0.217589
-    1SOL     H5    5  -0.059155   0.213965  -0.178061
-    1SOL     H6    6  -0.093239   0.097528  -0.268613
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000041  -0.040254  -0.086844
-    0SOL     H3    3  -0.002785   0.094125  -0.017176
-    1SOL     O4    4   0.201718  -0.180064   0.089876
-    1SOL     H5    5   0.144721  -0.243436   0.133438
-    1SOL     H6    6   0.142216  -0.112177   0.058048
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025187  -0.060258  -0.069978
-    0SOL     H3    3   0.023790  -0.056865   0.073230
-    1SOL     O4    4  -0.240760   0.127614   0.101118
-    1SOL     H5    5  -0.168038   0.065376   0.101683
-    1SOL     H6    6  -0.298658   0.097507   0.171144
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095415  -0.001783   0.007424
-    0SOL     H3    3   0.022611  -0.084398  -0.039090
-    1SOL     O4    4   0.088836  -0.223082  -0.135106
-    1SOL     H5    5   0.027884  -0.235591  -0.207843
-    1SOL     H6    6   0.110957  -0.311806  -0.106802
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063478  -0.070542   0.012519
-    0SOL     H3    3   0.041694   0.058928  -0.062860
-    1SOL     O4    4   0.033237   0.203931  -0.167796
-    1SOL     H5    5  -0.025203   0.278013  -0.151701
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.063591  -0.175684   0.253926
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-    6
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-    1SOL     H5    5  -0.151133   0.251189   0.153276
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-    6
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-    1SOL     H6    6   0.230970   0.081683   0.194746
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-    6
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-    1SOL     H6    6   0.127631   0.114344  -0.080335
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-    6
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-    1SOL     O4    4  -0.301569   0.033986   0.137666
-    1SOL     H5    5  -0.386609   0.030537   0.181468
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-    6
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-    0SOL     H2    2  -0.067934  -0.067342   0.003517
-    0SOL     H3    3   0.082034  -0.048065   0.011068
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-    1SOL     H5    5  -0.231573  -0.152739  -0.106495
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-    6
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-    0SOL     H3    3   0.069901  -0.019010  -0.062568
-    1SOL     O4    4   0.265142  -0.051970  -0.139550
-    1SOL     H5    5   0.252912   0.008805  -0.212483
-    1SOL     H6    6   0.341018  -0.104642  -0.164668
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065702  -0.061451  -0.032702
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-    1SOL     O4    4   0.029671   0.259496  -0.104461
-    1SOL     H5    5   0.060923   0.193185  -0.042909
-    1SOL     H6    6  -0.031763   0.212694  -0.161009
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048987   0.080738   0.015619
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-    1SOL     O4    4   0.185398   0.188836   0.074497
-    1SOL     H5    5   0.201668   0.152750   0.161648
-    1SOL     H6    6   0.210586   0.280912   0.081562
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045573  -0.072375  -0.042979
-    0SOL     H3    3  -0.077555   0.015007  -0.054059
-    1SOL     O4    4  -0.016121   0.269946   0.058082
-    1SOL     H5    5   0.007434   0.177171   0.057579
-    1SOL     H6    6  -0.043030   0.287385   0.148271
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057804   0.061564  -0.045066
-    0SOL     H3    3   0.035464  -0.055096  -0.069779
-    1SOL     O4    4   0.127178  -0.279976  -0.037119
-    1SOL     H5    5   0.072696  -0.278486  -0.115807
-    1SOL     H6    6   0.172899  -0.363973  -0.041171
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048525  -0.049633  -0.065911
-    0SOL     H3    3   0.064754   0.019717   0.067679
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-    1SOL     H5    5  -0.176500   0.078541   0.082403
-    1SOL     H6    6  -0.181267   0.112209   0.229925
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071312   0.026885  -0.057915
-    0SOL     H3    3   0.078420   0.004774  -0.054680
-    1SOL     O4    4  -0.225258   0.116983  -0.105800
-    1SOL     H5    5  -0.252908   0.108989  -0.197090
-    1SOL     H6    6  -0.307023   0.119606  -0.056101
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029354  -0.081840  -0.040037
-    0SOL     H3    3  -0.083924  -0.021853   0.040515
-    1SOL     O4    4  -0.008466   0.117395  -0.308437
-    1SOL     H5    5  -0.043897   0.045046  -0.256740
-    1SOL     H6    6  -0.085662   0.163087  -0.341833
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010723   0.069329   0.065122
-    0SOL     H3    3   0.087571  -0.037350  -0.009931
-    1SOL     O4    4  -0.218221  -0.158319   0.083724
-    1SOL     H5    5  -0.244355  -0.132326  -0.004614
-    1SOL     H6    6  -0.136389  -0.111196   0.099385
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018953   0.002443  -0.093793
-    0SOL     H3    3  -0.017813   0.091125   0.023266
-    1SOL     O4    4   0.052138   0.004607  -0.266381
-    1SOL     H5    5   0.017722   0.052168  -0.341984
-    1SOL     H6    6   0.120555  -0.051712  -0.302571
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.028080  -0.079975   0.044473
-    0SOL     H3    3   0.013592  -0.018211  -0.092983
-    1SOL     O4    4  -0.134245   0.273454   0.019936
-    1SOL     H5    5  -0.122917   0.368193   0.012275
-    1SOL     H6    6  -0.057448   0.236501  -0.023641
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013003   0.035950   0.087754
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-    1SOL     O4    4   0.370644   0.004424   0.007539
-    1SOL     H5    5   0.326429  -0.008142  -0.076422
-    1SOL     H6    6   0.404768   0.093767   0.003557
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090025   0.006010  -0.031965
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-    1SOL     O4    4  -0.015509  -0.064229   0.272950
-    1SOL     H5    5   0.007226  -0.045782   0.181818
-    1SOL     H6    6   0.026753   0.005673   0.322850
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.033902   0.085681  -0.025918
-    1SOL     O4    4  -0.029185   0.085375   0.274722
-    1SOL     H5    5   0.000632   0.047912   0.191837
-    1SOL     H6    6  -0.094288   0.150830   0.249432
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081505  -0.004545   0.049985
-    0SOL     H3    3   0.025401  -0.022737  -0.089443
-    1SOL     O4    4  -0.126034   0.229688  -0.030896
-    1SOL     H5    5  -0.083568   0.143922  -0.032659
-    1SOL     H6    6  -0.054132   0.291839  -0.019505
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091649  -0.015140  -0.023098
-    0SOL     H3    3  -0.003729   0.055947   0.077578
-    1SOL     O4    4  -0.329867  -0.156655   0.099163
-    1SOL     H5    5  -0.326895  -0.159110   0.194806
-    1SOL     H6    6  -0.376565  -0.236502   0.074546
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.045882  -0.080100   0.025319
-    1SOL     O4    4  -0.011580  -0.078787  -0.274545
-    1SOL     H5    5   0.080459  -0.101822  -0.287214
-    1SOL     H6    6  -0.030318  -0.015703  -0.344055
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.019278  -0.032113   0.088087
-    1SOL     O4    4  -0.058875   0.254475  -0.108709
-    1SOL     H5    5   0.004884   0.317241  -0.074686
-    1SOL     H6    6  -0.031355   0.238891  -0.199053
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.023336   0.061909  -0.069174
-    0SOL     H3    3   0.095495  -0.005354  -0.003799
-    1SOL     O4    4   0.265451  -0.015561   0.000046
-    1SOL     H5    5   0.283407  -0.108363  -0.015044
-    1SOL     H6    6   0.322664   0.030270  -0.061505
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.021536   0.083651   0.041243
-    0SOL     H3    3   0.059784  -0.006119  -0.074504
-    1SOL     O4    4  -0.266676  -0.005094  -0.016355
-    1SOL     H5    5  -0.289737   0.069853   0.038540
-    1SOL     H6    6  -0.170972  -0.006719  -0.015781
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.042130   0.011851  -0.085129
-    0SOL     H3    3  -0.093105  -0.008950  -0.020338
-    1SOL     O4    4   0.336068  -0.010691  -0.013283
-    1SOL     H5    5   0.309400  -0.096941   0.018531
-    1SOL     H6    6   0.298164  -0.004683  -0.100973
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094175   0.012646   0.011556
-    0SOL     H3    3  -0.033756  -0.011453   0.088835
-    1SOL     O4    4  -0.040314   0.309793   0.138993
-    1SOL     H5    5  -0.004904   0.235926   0.188512
-    1SOL     H6    6   0.014657   0.314821   0.060794
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025873   0.086330  -0.032251
-    0SOL     H3    3   0.095383  -0.000999  -0.007967
-    1SOL     O4    4  -0.169368  -0.183199  -0.150387
-    1SOL     H5    5  -0.104670  -0.146776  -0.089973
-    1SOL     H6    6  -0.251652  -0.140942  -0.125769
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093116   0.021916   0.003383
-    0SOL     H3    3   0.022969   0.007077  -0.092653
-    1SOL     O4    4   0.170457  -0.187371   0.137014
-    1SOL     H5    5   0.096658  -0.161169   0.081973
-    1SOL     H6    6   0.159392  -0.136920   0.217603
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003139  -0.040916   0.086477
-    0SOL     H3    3  -0.080937  -0.028000  -0.042749
-    1SOL     O4    4   0.172518  -0.190374  -0.163222
-    1SOL     H5    5   0.120721  -0.112193  -0.144060
-    1SOL     H6    6   0.135274  -0.258232  -0.106914
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010790  -0.094875  -0.006686
-    0SOL     H3    3   0.063749   0.035816  -0.061771
-    1SOL     O4    4  -0.140996  -0.152700   0.274672
-    1SOL     H5    5  -0.151553  -0.241533   0.240620
-    1SOL     H6    6  -0.047937  -0.146112   0.296095
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074701  -0.051109  -0.031144
-    0SOL     H3    3   0.017357  -0.033930   0.087806
-    1SOL     O4    4   0.011855   0.286199  -0.012649
-    1SOL     H5    5   0.082086   0.309009  -0.073555
-    1SOL     H6    6   0.006058   0.190771  -0.017357
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011688   0.081508   0.048807
-    0SOL     H3    3   0.094831  -0.008900  -0.009494
-    1SOL     O4    4  -0.155348   0.168687   0.132567
-    1SOL     H5    5  -0.232294   0.128103   0.092634
-    1SOL     H6    6  -0.153848   0.134491   0.221957
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070348   0.046147  -0.045650
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.136092   0.108032   0.070286
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-    6
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-    1SOL     H5    5  -0.292394  -0.116524   0.041212
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-    6
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-    6
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-    1SOL     H5    5   0.125310   0.106252   0.080303
-    1SOL     H6    6   0.269176   0.134624   0.117940
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-    6
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-    1SOL     H5    5   0.140466   0.093999   0.103545
-    1SOL     H6    6   0.270397   0.161462   0.142090
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-    6
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-    0SOL     H3    3   0.022470   0.093035   0.001367
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-    1SOL     H5    5   0.088196   0.321945  -0.068867
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-    6
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-    1SOL     O4    4   0.023965   0.172264  -0.208889
-    1SOL     H5    5  -0.058329   0.154176  -0.254308
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-    6
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-    1SOL     O4    4   0.013150  -0.175017  -0.244975
-    1SOL     H5    5   0.058821  -0.137757  -0.320396
-    1SOL     H6    6   0.003278  -0.267800  -0.266333
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077999  -0.024590  -0.049737
-    0SOL     H3    3   0.018392  -0.076155   0.054995
-    1SOL     O4    4  -0.166996  -0.201937  -0.132506
-    1SOL     H5    5  -0.135154  -0.264503  -0.067438
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-    6
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-    0SOL     H2    2   0.022576   0.056390   0.073979
-    0SOL     H3    3  -0.063691   0.050752  -0.050300
-    1SOL     O4    4   0.142433  -0.137171  -0.296797
-    1SOL     H5    5   0.189734  -0.214149  -0.328410
-    1SOL     H6    6   0.192189  -0.062797  -0.330784
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070576   0.030787   0.056864
-    0SOL     H3    3  -0.013018   0.047327  -0.082177
-    1SOL     O4    4  -0.024396  -0.267380   0.001409
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-    1SOL     H6    6  -0.031262  -0.303673  -0.086898
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.305154   0.140586   0.081226
-    1SOL     H5    5   0.380291   0.160225   0.025270
-    1SOL     H6    6   0.309167   0.045864   0.094421
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/098/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.117490  -0.167116   0.260755
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072487  -0.046348  -0.041950
-    0SOL     H3    3  -0.008036  -0.040967   0.086137
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-    1SOL     H5    5  -0.077077  -0.181383   0.279666
-    1SOL     H6    6  -0.026843  -0.232694   0.146390
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/100/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083043  -0.000424  -0.047602
-    0SOL     H3    3   0.010162   0.069181   0.065369
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-    1SOL     H5    5  -0.133824   0.086015  -0.263513
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.022027  -0.262206  -0.020376
-    1SOL     H5    5   0.041057  -0.303267  -0.079509
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/102/qchem.out: Frame 1 of 1
-    6
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-    1SOL     H5    5  -0.136005   0.090212   0.078435
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.131291  -0.086573   0.264476
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4  -0.013774   0.258662   0.014227
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-    6
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-    0SOL     H3    3   0.095148  -0.000394   0.010444
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-    1SOL     H5    5  -0.113210   0.145375  -0.063832
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069636  -0.004510  -0.065520
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-    1SOL     H5    5   0.105701   0.052664  -0.285428
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.038798  -0.072449  -0.049074
-    0SOL     H3    3   0.052028   0.076405  -0.024855
-    1SOL     O4    4   0.176195   0.004941   0.218301
-    1SOL     H5    5   0.099515  -0.010285   0.163069
-    1SOL     H6    6   0.166233   0.095101   0.248867
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071232  -0.019861  -0.060778
-    0SOL     H3    3  -0.001951   0.095605   0.004267
-    1SOL     O4    4  -0.141722   0.120094   0.230581
-    1SOL     H5    5  -0.190175   0.059808   0.174187
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021590  -0.089266  -0.026978
-    0SOL     H3    3   0.095680   0.002729  -0.000453
-    1SOL     O4    4  -0.173039   0.150329  -0.157461
-    1SOL     H5    5  -0.253977   0.122445  -0.114639
-    1SOL     H6    6  -0.105003   0.095725  -0.118067
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001980   0.083516  -0.046727
-    0SOL     H3    3  -0.020543  -0.064750  -0.067437
-    1SOL     O4    4  -0.147531  -0.021145   0.226124
-    1SOL     H5    5  -0.112458   0.044595   0.286211
-    1SOL     H6    6  -0.114122   0.004618   0.140204
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-    6
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-    6
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-    1SOL     H5    5  -0.157875   0.081176  -0.391680
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-    6
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-    0SOL     H3    3  -0.070357   0.047377  -0.044358
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-    1SOL     H5    5  -0.011291   0.087740   0.173863
-    1SOL     H6    6  -0.009585   0.238950   0.166669
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-    6
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-    0SOL     H2    2  -0.064579  -0.060070   0.037194
-    0SOL     H3    3   0.012937  -0.031135  -0.089585
-    1SOL     O4    4   0.171176  -0.176566   0.152730
-    1SOL     H5    5   0.149031  -0.111633   0.085980
-    1SOL     H6    6   0.266041  -0.187059   0.145464
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067530  -0.022264  -0.064081
-    0SOL     H3    3   0.033208   0.078492   0.043572
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-    1SOL     H5    5  -0.119041   0.146605  -0.264522
-    1SOL     H6    6  -0.111688   0.066357  -0.136361
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-    6
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-    0SOL     H2    2   0.019193   0.034139   0.087341
-    0SOL     H3    3  -0.071940   0.054544  -0.031812
-    1SOL     O4    4  -0.001877   0.157666   0.238233
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-    1SOL     H6    6   0.007375   0.226060   0.171909
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007537  -0.070492   0.064315
-    0SOL     H3    3  -0.001493   0.080151   0.052306
-    1SOL     O4    4  -0.028326  -0.155456   0.239931
-    1SOL     H5    5  -0.108223  -0.111640   0.269240
-    1SOL     H6    6  -0.051611  -0.248247   0.236795
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.095701   0.001385  -0.001312
-    0SOL     H3    3  -0.025413   0.092114  -0.005620
-    1SOL     O4    4  -0.156094  -0.023564   0.217209
-    1SOL     H5    5  -0.162262  -0.104350   0.268179
-    1SOL     H6    6  -0.093707  -0.043868   0.147509
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.036841  -0.069160  -0.054972
-    0SOL     H3    3  -0.034257   0.081183  -0.037390
-    1SOL     O4    4   0.090081  -0.300183  -0.054900
-    1SOL     H5    5   0.095706  -0.231237  -0.121060
-    1SOL     H6    6   0.086793  -0.381534  -0.105234
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072377  -0.029184   0.055427
-    0SOL     H3    3   0.005806  -0.066317  -0.068780
-    1SOL     O4    4   0.148067   0.015384   0.203394
-    1SOL     H5    5   0.132439  -0.073101   0.236384
-    1SOL     H6    6   0.114049   0.014000   0.113934
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/130/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036320  -0.088175   0.008268
-    0SOL     H3    3   0.001966   0.035207   0.088988
-    1SOL     O4    4   0.028160   0.165288   0.192393
-    1SOL     H5    5   0.015188   0.235084   0.128185
-    1SOL     H6    6  -0.049935   0.168682   0.247637
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/131/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009640  -0.035516   0.088363
-    0SOL     H3    3  -0.069375  -0.052723  -0.039620
-    1SOL     O4    4   0.028008  -0.166925   0.210679
-    1SOL     H5    5   0.082795  -0.189428   0.285874
-    1SOL     H6    6   0.043614  -0.237297   0.147699
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/132/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095186  -0.009290  -0.003953
-    0SOL     H3    3   0.019781   0.004804   0.093531
-    1SOL     O4    4  -0.257876  -0.013709  -0.018676
-    1SOL     H5    5  -0.271296   0.069600  -0.063863
-    1SOL     H6    6  -0.321558  -0.073099  -0.058422
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/133/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076834  -0.017822  -0.054233
-    0SOL     H3    3   0.074447  -0.013993  -0.058516
-    1SOL     O4    4  -0.175100  -0.020331  -0.211846
-    1SOL     H5    5  -0.149811  -0.096204  -0.264441
-    1SOL     H6    6  -0.270423  -0.016431  -0.219628
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/134/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079521   0.020153   0.049321
-    0SOL     H3    3  -0.068869   0.049695   0.044157
-    1SOL     O4    4  -0.154451  -0.137879   0.302156
-    1SOL     H5    5  -0.193181  -0.066257   0.352482
-    1SOL     H6    6  -0.175876  -0.216655   0.352133
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/135/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.031327   0.007006   0.090177
-    0SOL     H3    3  -0.055380  -0.067355  -0.039480
-    1SOL     O4    4  -0.151476  -0.166062  -0.159708
-    1SOL     H5    5  -0.141278  -0.261091  -0.154443
-    1SOL     H6    6  -0.156152  -0.147587  -0.253511
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/136/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.027995  -0.072718  -0.055594
-    0SOL     H3    3   0.050301  -0.010760   0.080724
-    1SOL     O4    4   0.160753  -0.012340   0.207642
-    1SOL     H5    5   0.170738  -0.069998   0.283393
-    1SOL     H6    6   0.142617   0.073787   0.245264
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/137/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.040508   0.073112   0.046648
-    0SOL     H3    3   0.042736  -0.000450  -0.085649
-    1SOL     O4    4   0.195142   0.014690  -0.196903
-    1SOL     H5    5   0.268966   0.014823  -0.135973
-    1SOL     H6    6   0.205021   0.095806  -0.246751
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/138/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063122   0.029767   0.065513
-    0SOL     H3    3  -0.011745  -0.094941  -0.003242
-    1SOL     O4    4  -0.163597   0.151780   0.196884
-    1SOL     H5    5  -0.259062   0.145094   0.194893
-    1SOL     H6    6  -0.140750   0.141641   0.289283
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/139/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.038613  -0.034517  -0.080498
-    0SOL     H3    3  -0.003278   0.095069  -0.010656
-    1SOL     O4    4  -0.016472  -0.156619  -0.216613
-    1SOL     H5    5  -0.092031  -0.185847  -0.267592
-    1SOL     H6    6   0.052868  -0.144233  -0.281427
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024060  -0.068062  -0.062856
-    0SOL     H3    3   0.072472   0.001642   0.062509
-    1SOL     O4    4   0.175755   0.026698   0.204696
-    1SOL     H5    5   0.270482   0.022600   0.217822
-    1SOL     H6    6   0.140152  -0.036876   0.266770
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.042171   0.071675   0.047398
-    0SOL     H3    3  -0.093310   0.010596   0.018530
-    1SOL     O4    4   0.013907  -0.284244   0.042662
-    1SOL     H5    5  -0.075817  -0.315628   0.053927
-    1SOL     H6    6   0.005108  -0.189444   0.032768
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074389   0.035806  -0.048441
-    0SOL     H3    3   0.010284  -0.094912  -0.006942
-    1SOL     O4    4  -0.012424   0.165091   0.211666
-    1SOL     H5    5  -0.019072   0.245337   0.159909
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073942  -0.011590   0.059670
-    0SOL     H3    3  -0.076867   0.001391   0.057025
-    1SOL     O4    4  -0.199792  -0.047892   0.238509
-    1SOL     H5    5  -0.166237  -0.115224   0.297693
-    1SOL     H6    6  -0.294247  -0.047226   0.254006
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093271   0.016250  -0.014101
-    0SOL     H3    3  -0.002741  -0.063604   0.071480
-    1SOL     O4    4   0.288041   0.185451   0.071806
-    1SOL     H5    5   0.363349   0.212052   0.019048
-    1SOL     H6    6   0.303939   0.093137   0.091496
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/145/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020969   0.024492   0.090126
-    0SOL     H3    3   0.011262  -0.095009   0.002952
-    1SOL     O4    4   0.199833   0.158006  -0.106961
-    1SOL     H5    5   0.161177   0.162890  -0.194392
-    1SOL     H6    6   0.150027   0.089415  -0.062498
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/146/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080283  -0.010807   0.050991
-    0SOL     H3    3  -0.001658  -0.072098  -0.062940
-    1SOL     O4    4  -0.168304  -0.009648   0.212894
-    1SOL     H5    5  -0.128130   0.057943   0.267482
-    1SOL     H6    6  -0.256866  -0.019277   0.247913
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060953   0.009475  -0.073193
-    0SOL     H3    3   0.032114  -0.076165   0.048268
-    1SOL     O4    4  -0.134458  -0.297957  -0.082392
-    1SOL     H5    5  -0.171043  -0.223844  -0.034108
-    1SOL     H6    6  -0.040078  -0.292011  -0.067583
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001632  -0.041142   0.086412
-    0SOL     H3    3   0.066775  -0.048551  -0.048438
-    1SOL     O4    4  -0.025610   0.269583  -0.001989
-    1SOL     H5    5  -0.099243   0.303679  -0.052763
-    1SOL     H6    6  -0.030124   0.174715  -0.013906
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010919   0.094940   0.005424
-    0SOL     H3    3  -0.011065  -0.028112   0.090827
-    1SOL     O4    4   0.337332   0.165302  -0.018343
-    1SOL     H5    5   0.284322   0.166396  -0.098037
-    1SOL     H6    6   0.427756   0.167909  -0.049629
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004718   0.036782  -0.088245
-    0SOL     H3    3   0.006327  -0.094522  -0.013705
-    1SOL     O4    4   0.016201   0.135076  -0.252212
-    1SOL     H5    5   0.091655   0.143287  -0.310536
-    1SOL     H6    6   0.015344   0.216825  -0.202426
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090059   0.030792  -0.010174
-    0SOL     H3    3   0.027165   0.033131   0.085596
-    1SOL     O4    4   0.064096  -0.274386   0.147346
-    1SOL     H5    5   0.024051  -0.198090   0.189030
-    1SOL     H6    6   0.158116  -0.256633   0.150065
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.042053   0.063110  -0.058404
-    0SOL     H3    3  -0.092323   0.001788  -0.025211
-    1SOL     O4    4  -0.294084  -0.027492  -0.034521
-    1SOL     H5    5  -0.362000  -0.083416  -0.072234
-    1SOL     H6    6  -0.322292  -0.013070   0.055804
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.061293   0.022017  -0.070148
-    0SOL     H3    3   0.006353   0.073250   0.061289
-    1SOL     O4    4  -0.000766   0.185219   0.249226
-    1SOL     H5    5   0.078384   0.172627   0.301562
-    1SOL     H6    6  -0.002525   0.279088   0.230578
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071495   0.023675  -0.059079
-    0SOL     H3    3  -0.076844   0.043839  -0.036543
-    1SOL     O4    4   0.170909   0.175241  -0.140725
-    1SOL     H5    5   0.133671   0.252031  -0.097378
-    1SOL     H6    6   0.134901   0.177906  -0.229374
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071195   0.008210  -0.063452
-    0SOL     H3    3  -0.079785   0.005930  -0.052550
-    1SOL     O4    4   0.016212  -0.168067   0.208968
-    1SOL     H5    5  -0.014066  -0.125183   0.128928
-    1SOL     H6    6   0.083920  -0.109760   0.243295
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.070644   0.036992   0.052946
-    0SOL     H3    3  -0.080222   0.031555   0.041605
-    1SOL     O4    4   0.286172  -0.162284   0.071897
-    1SOL     H5    5   0.349199  -0.169236   0.143602
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-    6
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-    6
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-    1SOL     H5    5   0.178151  -0.121123   0.267434
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-    6
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-    1SOL     O4    4   0.276834   0.106255  -0.071206
-    1SOL     H5    5   0.353448   0.111708  -0.128328
-    1SOL     H6    6   0.278352   0.187840  -0.021167
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-    6
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-    0SOL     H3    3   0.043468   0.077454  -0.035689
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-    1SOL     H5    5   0.102108   0.005509   0.146813
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-    6
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-    1SOL     H5    5  -0.118583  -0.091874   0.257392
-    1SOL     H6    6  -0.252345  -0.032377   0.218833
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-    6
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-    1SOL     H5    5  -0.098412  -0.259647   0.120513
-    1SOL     H6    6  -0.135782  -0.162347   0.230309
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.018599  -0.165621  -0.194962
-    1SOL     H5    5  -0.045327  -0.183520  -0.263921
-    1SOL     H6    6   0.099698  -0.146079  -0.241902
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-    6
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-    0SOL     H3    3   0.061966   0.008958   0.072404
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-    1SOL     H5    5   0.112842  -0.275478  -0.170571
-    1SOL     H6    6   0.136376  -0.145809  -0.245076
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029560   0.086612  -0.028050
-    0SOL     H3    3  -0.094325   0.009865   0.012950
-    1SOL     O4    4   0.183546  -0.181628  -0.120031
-    1SOL     H5    5   0.255198  -0.189952  -0.057110
-    1SOL     H6    6   0.126422  -0.114552  -0.082615
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011022  -0.052558  -0.079237
-    0SOL     H3    3   0.024174   0.086907  -0.032017
-    1SOL     O4    4   0.184795  -0.160244   0.128800
-    1SOL     H5    5   0.136666  -0.234310   0.091918
-    1SOL     H6    6   0.155989  -0.084871   0.077309
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071956   0.055561  -0.029962
-    0SOL     H3    3  -0.077282   0.034721  -0.044545
-    1SOL     O4    4  -0.193054   0.164380  -0.116652
-    1SOL     H5    5  -0.177943   0.238266  -0.057704
-    1SOL     H6    6  -0.288037   0.152522  -0.116410
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094538  -0.009793   0.011355
-    0SOL     H3    3  -0.010516   0.086093  -0.040494
-    1SOL     O4    4  -0.143747   0.050488   0.224917
-    1SOL     H5    5  -0.228200   0.060013   0.180880
-    1SOL     H6    6  -0.085972   0.013348   0.158246
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.015515   0.052493  -0.078524
-    0SOL     H3    3  -0.010971  -0.090528  -0.029096
-    1SOL     O4    4  -0.205002   0.172699   0.116189
-    1SOL     H5    5  -0.166470   0.091121   0.084209
-    1SOL     H6    6  -0.171234   0.181882   0.205283
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.056245   0.062508   0.045734
-    0SOL     H3    3   0.018879   0.041732  -0.084049
-    1SOL     O4    4   0.008575   0.159730  -0.196909
-    1SOL     H5    5  -0.057355   0.206148  -0.248493
-    1SOL     H6    6   0.081314   0.146092  -0.257616
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074534   0.010900  -0.059061
-    0SOL     H3    3   0.011029   0.068896   0.065528
-    1SOL     O4    4   0.193723   0.010288  -0.187091
-    1SOL     H5    5   0.176558  -0.053503  -0.256362
-    1SOL     H6    6   0.289162   0.013413  -0.180457
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020182   0.075048   0.055882
-    0SOL     H3    3   0.092837   0.010031  -0.021049
-    1SOL     O4    4  -0.209708  -0.025215  -0.211431
-    1SOL     H5    5  -0.126580  -0.014722  -0.165150
-    1SOL     H6    6  -0.203893   0.035427  -0.285262
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052232  -0.070814   0.037676
-    0SOL     H3    3  -0.039574   0.016052  -0.085665
-    1SOL     O4    4  -0.147240  -0.005460  -0.242652
-    1SOL     H5    5  -0.226097  -0.002686  -0.188464
-    1SOL     H6    6  -0.146271   0.078857  -0.287951
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065200  -0.026598  -0.064837
-    0SOL     H3    3   0.007291   0.094829  -0.010802
-    1SOL     O4    4   0.134283   0.109953   0.319953
-    1SOL     H5    5   0.184813   0.169470   0.264574
-    1SOL     H6    6   0.043491   0.138201   0.308949
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.048451   0.046808   0.067998
-    0SOL     H3    3  -0.059747  -0.068989  -0.028864
-    1SOL     O4    4  -0.146243  -0.204407  -0.161168
-    1SOL     H5    5  -0.163657  -0.175133  -0.250623
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.038224  -0.075623  -0.044524
-    0SOL     H3    3   0.094410  -0.015453  -0.003211
-    1SOL     O4    4   0.128659   0.129666  -0.244686
-    1SOL     H5    5   0.049197   0.165271  -0.284441
-    1SOL     H6    6   0.128237   0.163980  -0.155329
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.067869  -0.008154  -0.067005
-    1SOL     O4    4  -0.025007   0.171360   0.217045
-    1SOL     H5    5  -0.016113   0.261032   0.184762
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.023566  -0.082490  -0.042454
-    0SOL     H3    3   0.095411   0.003976  -0.006577
-    1SOL     O4    4  -0.127913  -0.185516  -0.145585
-    1SOL     H5    5  -0.106944  -0.154596  -0.233712
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.019679  -0.073266   0.058371
-    0SOL     H3    3   0.073426  -0.030727  -0.053168
-    1SOL     O4    4  -0.069927   0.143768   0.230098
-    1SOL     H5    5  -0.053690   0.147408   0.135835
-    1SOL     H6    6  -0.081446   0.235190   0.256013
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077032   0.019287   0.053445
-    0SOL     H3    3   0.025602   0.024804  -0.088835
-    1SOL     O4    4   0.033297   0.174207  -0.218716
-    1SOL     H5    5  -0.041567   0.175941  -0.278337
-    1SOL     H6    6   0.107136   0.203633  -0.272047
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069607   0.005092  -0.065508
-    0SOL     H3    3  -0.078313   0.030569  -0.045770
-    1SOL     O4    4   0.294542   0.161054   0.040005
-    1SOL     H5    5   0.374549   0.199927   0.004648
-    1SOL     H6    6   0.284976   0.200496   0.126695
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093034  -0.002518  -0.022374
-    0SOL     H3    3  -0.045117  -0.007610  -0.084076
-    1SOL     O4    4   0.143886   0.338688   0.018308
-    1SOL     H5    5   0.072472   0.350250  -0.044372
-    1SOL     H6    6   0.222559   0.332357  -0.035847
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095476  -0.006184  -0.002906
-    0SOL     H3    3   0.026407  -0.066241   0.063852
-    1SOL     O4    4  -0.267377  -0.001289  -0.019480
-    1SOL     H5    5  -0.297634   0.087614  -0.000956
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.010121   0.012491   0.094360
-    1SOL     O4    4   0.107421  -0.112075  -0.279248
-    1SOL     H5    5   0.030221  -0.144872  -0.325364
-    1SOL     H6    6   0.181559  -0.146930  -0.328757
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.080197   0.036971   0.036931
-    1SOL     O4    4   0.143788  -0.118276   0.282595
-    1SOL     H5    5   0.151114  -0.035693   0.330434
-    1SOL     H6    6   0.054248  -0.118548   0.248758
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074705  -0.043243   0.041371
-    0SOL     H3    3  -0.011902  -0.046609  -0.082754
-    1SOL     O4    4  -0.117202   0.182029   0.255713
-    1SOL     H5    5  -0.022375   0.170434   0.249728
-    1SOL     H6    6  -0.149662   0.159714   0.168474
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.070913  -0.020026   0.061096
-    0SOL     H3    3  -0.003108   0.095633  -0.002645
-    1SOL     O4    4  -0.144197   0.115611  -0.289340
-    1SOL     H5    5  -0.175934   0.205906  -0.287944
-    1SOL     H6    6  -0.192530   0.072097  -0.219106
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074295   0.006384   0.060015
-    0SOL     H3    3   0.025877  -0.067097  -0.063173
-    1SOL     O4    4   0.305023  -0.127577  -0.056879
-    1SOL     H5    5   0.389670  -0.169448  -0.041263
-    1SOL     H6    6   0.317601  -0.036881  -0.028981
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010842   0.094561   0.010143
-    0SOL     H3    3   0.021251  -0.031288   0.087930
-    1SOL     O4    4  -0.028642   0.274292   0.021001
-    1SOL     H5    5  -0.106980   0.311422  -0.019580
-    1SOL     H6    6  -0.018230   0.323439   0.102478
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.031505  -0.085174   0.030251
-    0SOL     H3    3  -0.056617   0.063496   0.043876
-    1SOL     O4    4   0.124922   0.145411  -0.289145
-    1SOL     H5    5   0.197942   0.189447  -0.245655
-    1SOL     H6    6   0.046892   0.179308  -0.245275
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078896  -0.022849   0.049149
-    0SOL     H3    3  -0.068013  -0.056948   0.035964
-    1SOL     O4    4  -0.314931  -0.070862  -0.177381
-    1SOL     H5    5  -0.274417  -0.156479  -0.191188
-    1SOL     H6    6  -0.304821  -0.054364  -0.083637
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064822  -0.055977   0.042744
-    0SOL     H3    3  -0.031470   0.008778  -0.089972
-    1SOL     O4    4   0.116604  -0.151659  -0.266521
-    1SOL     H5    5   0.179487  -0.196057  -0.209627
-    1SOL     H6    6   0.135120  -0.185802  -0.354007
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.036262  -0.060420   0.064783
-    0SOL     H3    3  -0.024388  -0.037892  -0.084450
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-    6
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-    1SOL     O4    4  -0.130846   0.184700   0.135316
-    1SOL     H5    5  -0.205054   0.159841   0.080203
-    1SOL     H6    6  -0.057918   0.132076   0.102538
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-    6
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-    0SOL     H3    3   0.018725  -0.006038   0.093676
-    1SOL     O4    4   0.194511   0.138954  -0.141977
-    1SOL     H5    5   0.204517   0.101378  -0.229443
-    1SOL     H6    6   0.109592   0.106852  -0.111637
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-    6
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-    0SOL     H2    2   0.059067   0.061740  -0.043146
-    0SOL     H3    3   0.043189  -0.020591   0.082904
-    1SOL     O4    4   0.169834   0.001156   0.226962
-    1SOL     H5    5   0.209443   0.074495   0.274024
-    1SOL     H6    6   0.225704  -0.011089   0.150210
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-    6
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-    1SOL     O4    4   0.131730   0.175524   0.148686
-    1SOL     H5    5   0.148543   0.138342   0.235272
-    1SOL     H6    6   0.069232   0.115243   0.108406
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-    6
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-    0SOL     H3    3   0.015319   0.066011   0.067603
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-    1SOL     H5    5  -0.024086  -0.145164   0.267186
-    1SOL     H6    6  -0.147127  -0.156564   0.354650
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-    6
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-    0SOL     H2    2   0.081568   0.032765  -0.037887
-    0SOL     H3    3  -0.065096   0.066691  -0.021842
-    1SOL     O4    4   0.001948  -0.289443   0.030650
-    1SOL     H5    5   0.004238  -0.200083   0.064882
-    1SOL     H6    6  -0.008473  -0.344587   0.108192
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-    6
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-    0SOL     H3    3  -0.048674  -0.078722   0.024415
-    1SOL     O4    4   0.156971  -0.206625   0.139399
-    1SOL     H5    5   0.247578  -0.232469   0.122522
-    1SOL     H6    6   0.148129  -0.121172   0.097187
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068027   0.006920   0.066984
-    0SOL     H3    3  -0.032548  -0.066691  -0.060459
-    1SOL     O4    4  -0.022264   0.203531  -0.211935
-    1SOL     H5    5  -0.006654   0.163816  -0.126254
-    1SOL     H6    6  -0.107756   0.169870  -0.238774
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009269   0.093857   0.016350
-    0SOL     H3    3   0.002907  -0.039910   0.086954
-    1SOL     O4    4   0.294394  -0.053699   0.136639
-    1SOL     H5    5   0.375993  -0.012670   0.165283
-    1SOL     H6    6   0.227740  -0.018177   0.195441
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.034486   0.005343  -0.089132
-    0SOL     H3    3  -0.012614  -0.091486   0.025169
-    1SOL     O4    4   0.098158   0.109186  -0.282024
-    1SOL     H5    5   0.172671   0.168125  -0.270350
-    1SOL     H6    6   0.023364   0.157930  -0.247497
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094337  -0.016055   0.002272
-    0SOL     H3    3  -0.029446  -0.017289   0.089422
-    1SOL     O4    4   0.154723  -0.118672   0.274632
-    1SOL     H5    5   0.140506  -0.025751   0.292683
-    1SOL     H6    6   0.143329  -0.161608   0.359419
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.026998   0.070335  -0.059046
-    0SOL     H3    3  -0.094545   0.011575   0.009463
-    1SOL     O4    4   0.185417  -0.149192  -0.180177
-    1SOL     H5    5   0.276589  -0.123606  -0.166203
-    1SOL     H6    6   0.141702  -0.128289  -0.097627
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020592   0.084664  -0.039626
-    0SOL     H3    3  -0.046707  -0.063763  -0.053991
-    1SOL     O4    4   0.140864  -0.279413  -0.053931
-    1SOL     H5    5   0.066241  -0.267521   0.004824
-    1SOL     H6    6   0.117518  -0.355361  -0.107308
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074398   0.002957   0.060154
-    0SOL     H3    3   0.014400   0.073495  -0.059610
-    1SOL     O4    4  -0.009731   0.171065  -0.219043
-    1SOL     H5    5  -0.058445   0.120132  -0.283813
-    1SOL     H6    6   0.081423   0.165432  -0.247705
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077364  -0.007198  -0.055905
-    0SOL     H3    3  -0.073942  -0.005227  -0.060561
-    1SOL     O4    4  -0.157094  -0.040765  -0.215094
-    1SOL     H5    5  -0.112471  -0.116209  -0.253556
-    1SOL     H6    6  -0.143226   0.029985  -0.278058
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.041774  -0.068221  -0.052566
-    0SOL     H3    3   0.051883   0.003521   0.080362
-    1SOL     O4    4   0.156604   0.204570  -0.154375
-    1SOL     H5    5   0.167663   0.299386  -0.147312
-    1SOL     H6    6   0.077148   0.185885  -0.104376
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.039417   0.017873   0.085377
-    0SOL     H3    3   0.094079   0.010221   0.014389
-    1SOL     O4    4   0.253360   0.050761   0.021499
-    1SOL     H5    5   0.299409   0.051657   0.105409
-    1SOL     H6    6   0.287914   0.126559  -0.025649
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024853  -0.076504   0.051883
-    0SOL     H3    3   0.094472   0.008188   0.013052
-    1SOL     O4    4  -0.180147  -0.173931   0.129411
-    1SOL     H5    5  -0.252341  -0.119216   0.098481
-    1SOL     H6    6  -0.158605  -0.138681   0.215757
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.050869  -0.060874   0.053564
-    0SOL     H3    3  -0.039275  -0.006067  -0.087081
-    1SOL     O4    4  -0.157098  -0.014318  -0.238835
-    1SOL     H5    5  -0.234437   0.014014  -0.190068
-    1SOL     H6    6  -0.147709   0.050454  -0.308682
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084053  -0.019005  -0.041669
-    0SOL     H3    3   0.020808   0.064318   0.067768
-    1SOL     O4    4   0.017052   0.185618   0.207965
-    1SOL     H5    5  -0.064731   0.156333   0.248166
-    1SOL     H6    6   0.084433   0.164678   0.272646
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.012975  -0.046349  -0.082739
-    1SOL     O4    4   0.002126  -0.168149  -0.209913
-    1SOL     H5    5   0.074700  -0.182663  -0.270615
-    1SOL     H6    6   0.007016  -0.241552  -0.148672
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.057327  -0.028035   0.071344
-    1SOL     O4    4  -0.062551   0.293933   0.122669
-    1SOL     H5    5  -0.005419   0.227163   0.160617
-    1SOL     H6    6  -0.017162   0.322017   0.043212
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044952   0.069907  -0.047484
-    0SOL     H3    3   0.051519  -0.011779   0.079808
-    1SOL     O4    4  -0.129209  -0.322008  -0.088651
-    1SOL     H5    5  -0.074123  -0.330009  -0.010781
-    1SOL     H6    6  -0.133657  -0.410800  -0.124128
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.043362  -0.001226   0.085326
-    0SOL     H3    3   0.089692   0.027470   0.019054
-    1SOL     O4    4   0.142606   0.330021  -0.082433
-    1SOL     H5    5   0.213758   0.342585  -0.019649
-    1SOL     H6    6   0.155907   0.398644  -0.147827
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.062123  -0.059960   0.041327
-    0SOL     H3    3  -0.032817   0.087263   0.021691
-    1SOL     O4    4  -0.193432  -0.152006   0.107297
-    1SOL     H5    5  -0.200384  -0.247380   0.103063
-    1SOL     H6    6  -0.177406  -0.133194   0.199772
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.059583   0.055903  -0.049870
-    0SOL     H3    3   0.087428   0.027165  -0.027941
-    1SOL     O4    4  -0.306740   0.054391   0.089052
-    1SOL     H5    5  -0.369018   0.005781   0.143098
-    1SOL     H6    6  -0.319283   0.019571   0.000776
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049461   0.021700   0.079026
-    0SOL     H3    3   0.012216   0.075570  -0.057465
-    1SOL     O4    4   0.149905  -0.272479   0.065250
-    1SOL     H5    5   0.204078  -0.193814   0.058983
-    1SOL     H6    6   0.182499  -0.317939   0.142925
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.066155   0.042224  -0.054799
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-    1SOL     O4    4  -0.180485   0.183400  -0.099058
-    1SOL     H5    5  -0.137915   0.103829  -0.067141
-    1SOL     H6    6  -0.270084   0.156309  -0.119068
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017288  -0.078091  -0.052585
-    0SOL     H3    3  -0.023652  -0.025415   0.089202
-    1SOL     O4    4   0.278386  -0.015848   0.004994
-    1SOL     H5    5   0.276357  -0.101491  -0.037708
-    1SOL     H6    6   0.186621   0.011056   0.009192
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082818   0.041913  -0.023384
-    0SOL     H3    3  -0.066721   0.065382  -0.020876
-    1SOL     O4    4  -0.172275   0.183800  -0.093234
-    1SOL     H5    5  -0.267841   0.187687  -0.089447
-    1SOL     H6    6  -0.152059   0.180965  -0.186752
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.025709  -0.083751  -0.038564
-    0SOL     H3    3  -0.095481  -0.004289   0.005231
-    1SOL     O4    4   0.037939  -0.309361   0.159932
-    1SOL     H5    5   0.031869  -0.294411   0.065582
-    1SOL     H6    6   0.131929  -0.310969   0.177977
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091861   0.002508  -0.026788
-    0SOL     H3    3  -0.047407  -0.025372  -0.079190
-    1SOL     O4    4  -0.063171   0.266316  -0.193169
-    1SOL     H5    5  -0.153927   0.269633  -0.162928
-    1SOL     H6    6  -0.011154   0.264614  -0.112834
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083711   0.023745  -0.039886
-    0SOL     H3    3  -0.017674   0.070394   0.062407
-    1SOL     O4    4   0.011129   0.184096   0.192460
-    1SOL     H5    5   0.073964   0.163299   0.261609
-    1SOL     H6    6  -0.001019   0.278832   0.198771
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051463   0.013701   0.079537
-    0SOL     H3    3   0.045573   0.050798  -0.067119
-    1SOL     O4    4   0.169244  -0.046494   0.232375
-    1SOL     H5    5   0.244743  -0.060078   0.175124
-    1SOL     H6    6   0.184525  -0.105044   0.306543
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016221   0.094287  -0.003023
-    0SOL     H3    3  -0.090745  -0.009678  -0.028880
-    1SOL     O4    4  -0.001044  -0.215999   0.196328
-    1SOL     H5    5   0.033941  -0.144179   0.143601
-    1SOL     H6    6  -0.002793  -0.290883   0.136733
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.032935   0.084750   0.029916
-    0SOL     H3    3   0.094871   0.011603  -0.005212
-    1SOL     O4    4  -0.149103   0.175166   0.149420
-    1SOL     H5    5  -0.233889   0.150647   0.112372
-    1SOL     H6    6  -0.139389   0.119033   0.226343
-  3.000000   3.000000   3.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.020634  -0.320490   0.220928
-    1SOL     H6    6   0.004489  -0.306408   0.072303
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-    6
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-    1SOL     H5    5   0.121097  -0.277047  -0.267914
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067831   0.015655  -0.065698
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-    1SOL     H5    5  -0.191360  -0.412828  -0.032630
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    1SOL     H6    6   0.105915   0.103282   0.075796
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.035281   0.024947   0.085412
-    0SOL     H3    3   0.090436   0.031335   0.001309
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-    1SOL     H5    5   0.109345  -0.130134  -0.381008
-    1SOL     H6    6   0.141660  -0.043861  -0.260876
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.180321   0.074743  -0.253160
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.016701   0.257741   0.014184
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.201011  -0.055397  -0.286108
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H6    6   0.035705   0.307084   0.074689
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-    6
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-    0SOL     H3    3   0.019089   0.092750   0.013981
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-    1SOL     H5    5  -0.024931   0.143016  -0.289606
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.095302  -0.008799  -0.001561
-    0SOL     H3    3  -0.024537   0.011597  -0.091792
-    1SOL     O4    4  -0.136428   0.049362  -0.211770
-    1SOL     H5    5  -0.210746   0.017355  -0.160636
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060906   0.073829   0.001424
-    0SOL     H3    3   0.010893  -0.041750   0.085444
-    1SOL     O4    4  -0.112142   0.165673  -0.283567
-    1SOL     H5    5  -0.113576   0.206774  -0.197132
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.316709   0.117123  -0.072260
-    1SOL     H5    5   0.328464   0.187976  -0.135537
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049124   0.040814  -0.071297
-    0SOL     H3    3   0.002969  -0.093693  -0.019370
-    1SOL     O4    4   0.290149  -0.141860  -0.109077
-    1SOL     H5    5   0.370526  -0.145437  -0.160934
-    1SOL     H6    6   0.292769  -0.056105  -0.066632
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007850   0.090062  -0.031456
-    0SOL     H3    3  -0.002259  -0.053431  -0.079387
-    1SOL     O4    4   0.009481   0.149682  -0.269207
-    1SOL     H5    5   0.095934   0.116977  -0.294077
-    1SOL     H6    6   0.022723   0.243224  -0.253817
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.012285   0.087314   0.037251
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-    6
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-    1SOL     O4    4  -0.315412   0.128206   0.055161
-    1SOL     H5    5  -0.237355   0.162112   0.011346
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-    6
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-    1SOL     O4    4  -0.176663  -0.215922   0.134447
-    1SOL     H5    5  -0.168999  -0.133416   0.086527
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-    6
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-    0SOL     H3    3   0.023091   0.059250   0.071544
-    1SOL     O4    4   0.013453   0.186359   0.224532
-    1SOL     H5    5   0.077763   0.136424   0.274861
-    1SOL     H6    6   0.031076   0.277717   0.247013
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-    6
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-    0SOL     H3    3  -0.007703   0.092136  -0.024778
-    1SOL     O4    4   0.302928  -0.034137  -0.120055
-    1SOL     H5    5   0.212949  -0.018437  -0.148683
-    1SOL     H6    6   0.307592   0.005187  -0.032910
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-    6
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-    1SOL     O4    4   0.116576   0.105856  -0.238380
-    1SOL     H5    5   0.024295   0.119673  -0.217037
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-    6
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-    1SOL     O4    4  -0.262359  -0.016487   0.141753
-    1SOL     H5    5  -0.343521   0.024380   0.171837
-    1SOL     H6    6  -0.192912   0.034682   0.183241
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-    6
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-    0SOL     H3    3   0.091667  -0.006462   0.026791
-    1SOL     O4    4  -0.177239  -0.198563  -0.086676
-    1SOL     H5    5  -0.257444  -0.169794  -0.043065
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-    6
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-    0SOL     H2    2  -0.008674   0.052755   0.079398
-    0SOL     H3    3   0.052839   0.053832  -0.058928
-    1SOL     O4    4   0.148918   0.170861  -0.152080
-    1SOL     H5    5   0.242985   0.158511  -0.139379
-    1SOL     H6    6   0.128255   0.250234  -0.102730
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.065381  -0.038574  -0.058307
-    0SOL     H3    3   0.019293  -0.037582   0.085894
-    1SOL     O4    4   0.033112  -0.168908   0.219619
-    1SOL     H5    5   0.010409  -0.241848   0.161942
-    1SOL     H6    6   0.016548  -0.202048   0.307878
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068508  -0.043330   0.050906
-    0SOL     H3    3  -0.044749   0.031502  -0.078533
-    1SOL     O4    4  -0.174455   0.223365   0.121283
-    1SOL     H5    5  -0.156579   0.178452   0.203899
-    1SOL     H6    6  -0.090005   0.225312   0.076263
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004000  -0.039292   0.087192
-    0SOL     H3    3  -0.068247  -0.045030  -0.049769
-    1SOL     O4    4  -0.295741   0.114249  -0.058359
-    1SOL     H5    5  -0.219917   0.110422  -0.116656
-    1SOL     H6    6  -0.277295   0.187672   0.000216
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.092515  -0.005493   0.023939
-    0SOL     H3    3   0.014141   0.092515  -0.020083
-    1SOL     O4    4   0.042612  -0.185569  -0.209060
-    1SOL     H5    5   0.045023  -0.275707  -0.176942
-    1SOL     H6    6   0.025237  -0.132780  -0.131126
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.035506   0.040313   0.079224
-    0SOL     H3    3  -0.074613   0.055119  -0.023604
-    1SOL     O4    4   0.004435   0.216878   0.189644
-    1SOL     H5    5   0.013866   0.267267   0.108808
-    1SOL     H6    6  -0.055195   0.268879   0.243519
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077797   0.054120   0.013451
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-    1SOL     O4    4   0.168304   0.190722   0.116455
-    1SOL     H5    5   0.258699   0.174792   0.143607
-    1SOL     H6    6   0.118174   0.189430   0.197988
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002951  -0.095025  -0.011133
-    0SOL     H3    3   0.028799   0.012689   0.090399
-    1SOL     O4    4   0.127707   0.018905   0.291699
-    1SOL     H5    5   0.054348  -0.042575   0.290728
-    1SOL     H6    6   0.086578   0.105339   0.292003
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.095547   0.005383   0.002049
-    0SOL     H3    3  -0.029305   0.072309   0.055452
-    1SOL     O4    4  -0.189431   0.143399   0.156743
-    1SOL     H5    5  -0.210525   0.235674   0.170985
-    1SOL     H6    6  -0.200485   0.102715   0.242678
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.055145  -0.075279   0.021318
-    0SOL     H3    3  -0.025756   0.067242   0.063067
-    1SOL     O4    4  -0.141776   0.083366  -0.214732
-    1SOL     H5    5  -0.190281   0.159374  -0.182603
-    1SOL     H6    6  -0.100913   0.046180  -0.136568
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/284/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.042362   0.023289  -0.082616
-    0SOL     H3    3  -0.044429  -0.082783  -0.018313
-    1SOL     O4    4   0.130865   0.132438  -0.194028
-    1SOL     H5    5   0.225533   0.146585  -0.193628
-    1SOL     H6    6   0.108995   0.119023  -0.286245
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/285/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010165  -0.015374  -0.093929
-    0SOL     H3    3  -0.027402   0.091482   0.006517
-    1SOL     O4    4   0.108165   0.209591   0.283099
-    1SOL     H5    5   0.161310   0.259464   0.345152
-    1SOL     H6    6   0.163411   0.201381   0.205363
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.140637  -0.138052  -0.231314
-    1SOL     H6    6   0.166085  -0.268326  -0.158513
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.317377  -0.098360  -0.077682
-    1SOL     H5    5  -0.330785  -0.148413   0.002799
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.008594   0.094888   0.009205
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-    1SOL     H5    5  -0.099774  -0.161262  -0.289850
-    1SOL     H6    6  -0.016018  -0.092080  -0.184410
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.008099   0.094392   0.013668
-    1SOL     O4    4  -0.291673   0.119883  -0.027169
-    1SOL     H5    5  -0.203227   0.119713  -0.063769
-    1SOL     H6    6  -0.287042   0.059632   0.047065
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068640   0.038249   0.054662
-    0SOL     H3    3  -0.006342   0.047212  -0.083025
-    1SOL     O4    4  -0.018717   0.187694  -0.243876
-    1SOL     H5    5  -0.099623   0.191807  -0.294864
-    1SOL     H6    6   0.051085   0.192390  -0.309205
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029365   0.003608  -0.091033
-    0SOL     H3    3   0.046378  -0.075006   0.037222
-    1SOL     O4    4   0.140626  -0.218213   0.141659
-    1SOL     H5    5   0.156681  -0.307094   0.109963
-    1SOL     H6    6   0.222692  -0.192541   0.183713
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.037345   0.082357   0.031385
-    0SOL     H3    3  -0.033839  -0.066208   0.060280
-    1SOL     O4    4   0.106344  -0.309773   0.103675
-    1SOL     H5    5   0.125841  -0.387371   0.156217
-    1SOL     H6    6   0.116384  -0.236501   0.164442
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077790  -0.002774  -0.055708
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-    1SOL     O4    4  -0.146579   0.268576  -0.038776
-    1SOL     H5    5  -0.191114   0.289385  -0.120909
-    1SOL     H6    6  -0.188907   0.324544   0.026325
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.062731  -0.070405  -0.016437
-    0SOL     H3    3   0.027218  -0.012838   0.090866
-    1SOL     O4    4   0.036676   0.284918  -0.038989
-    1SOL     H5    5   0.032158   0.189916  -0.028191
-    1SOL     H6    6   0.027998   0.319603   0.049803
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013595   0.057954   0.074959
-    0SOL     H3    3   0.065319   0.027986  -0.064129
-    1SOL     O4    4  -0.295226  -0.188334  -0.079338
-    1SOL     H5    5  -0.316188  -0.233033   0.002668
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.053599  -0.052788  -0.059186
-    0SOL     H3    3  -0.032176   0.089379  -0.011766
-    1SOL     O4    4   0.180020   0.333251  -0.094826
-    1SOL     H5    5   0.267524   0.359216  -0.065994
-    1SOL     H6    6   0.135669   0.305310  -0.014734
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031305   0.012636  -0.089569
-    0SOL     H3    3   0.050579  -0.074336   0.032838
-    1SOL     O4    4  -0.084336   0.138769   0.292781
-    1SOL     H5    5  -0.094500   0.045137   0.275688
-    1SOL     H6    6  -0.118222   0.181356   0.214039
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094258   0.002036  -0.016540
-    0SOL     H3    3  -0.038111   0.050055  -0.072142
-    1SOL     O4    4  -0.167935  -0.190058  -0.176812
-    1SOL     H5    5  -0.080859  -0.169774  -0.142627
-    1SOL     H6    6  -0.227268  -0.135362  -0.125331
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021392  -0.041519   0.083552
-    0SOL     H3    3   0.000457   0.093769   0.019220
-    1SOL     O4    4  -0.021877   0.202329   0.230931
-    1SOL     H5    5  -0.102693   0.165162   0.266283
-    1SOL     H6    6  -0.033562   0.297008   0.238778
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017673   0.093933   0.005157
-    0SOL     H3    3  -0.010038  -0.027569   0.091113
-    1SOL     O4    4  -0.002974  -0.176120   0.200521
-    1SOL     H5    5  -0.079104  -0.166914   0.257808
-    1SOL     H6    6  -0.028302  -0.243678   0.137619
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000860   0.019219   0.093767
-    0SOL     H3    3  -0.020280  -0.093383  -0.005544
-    1SOL     O4    4  -0.238324  -0.169772  -0.218432
-    1SOL     H5    5  -0.144738  -0.158417  -0.235018
-    1SOL     H6    6  -0.277888  -0.173213  -0.305525
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086530   0.037557   0.016259
-    0SOL     H3    3  -0.022308   0.028582  -0.088587
-    1SOL     O4    4  -0.120345  -0.148805  -0.250155
-    1SOL     H5    5  -0.203276  -0.164529  -0.295296
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.278436   0.225641   0.004002
-    1SOL     H6    6   0.293447   0.075437   0.015505
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009966  -0.065531   0.069056
-    0SOL     H3    3   0.077596  -0.011047  -0.054947
-    1SOL     O4    4  -0.001483  -0.188484   0.205963
-    1SOL     H5    5  -0.076902  -0.188113   0.264904
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.059504   0.030605  -0.068447
-    0SOL     H3    3   0.002064  -0.095418  -0.007309
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-    1SOL     H5    5  -0.340034   0.017732   0.031610
-    1SOL     H6    6  -0.249957  -0.011888   0.149625
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093687  -0.016375   0.010811
-    0SOL     H3    3   0.039155  -0.029443   0.082234
-    1SOL     O4    4  -0.008569   0.266791   0.022946
-    1SOL     H5    5  -0.084349   0.287427   0.077662
-    1SOL     H6    6  -0.014255   0.172304   0.008723
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071134   0.012903   0.062736
-    0SOL     H3    3  -0.079701   0.016635   0.050332
-    1SOL     O4    4   0.020403  -0.170072  -0.235167
-    1SOL     H5    5  -0.003082  -0.259687  -0.211088
-    1SOL     H6    6   0.032225  -0.125061  -0.151522
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052033   0.071313   0.037006
-    0SOL     H3    3  -0.012154   0.008013  -0.094607
-    1SOL     O4    4  -0.118120   0.070075  -0.262485
-    1SOL     H5    5  -0.205753   0.031687  -0.259489
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001043  -0.080994   0.051002
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-    1SOL     H5    5  -0.109543   0.132513   0.056836
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.121196  -0.301011   0.077602
-    1SOL     H6    6   0.030191  -0.301841   0.077478
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-    6
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-    0SOL     H2    2   0.047389  -0.072690  -0.040408
-    0SOL     H3    3  -0.089839  -0.009354  -0.031682
-    1SOL     O4    4  -0.109804  -0.287439  -0.059143
-    1SOL     H5    5  -0.035785  -0.297618   0.000689
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.033948   0.068950  -0.057058
-    0SOL     H3    3  -0.001891  -0.078976  -0.054051
-    1SOL     O4    4  -0.212629   0.025916   0.195946
-    1SOL     H5    5  -0.208661  -0.052976   0.250008
-    1SOL     H6    6  -0.145949   0.012266   0.128642
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.047010   0.055861   0.061903
-    0SOL     H3    3  -0.092263   0.021708   0.013367
-    1SOL     O4    4  -0.118856   0.152451   0.288022
-    1SOL     H5    5  -0.201335   0.184936   0.324138
-    1SOL     H6    6  -0.052709   0.178361   0.352175
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019293   0.093359   0.008610
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-    1SOL     O4    4   0.026779   0.274508  -0.128807
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-    6
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-    1SOL     O4    4   0.121828  -0.166970   0.166250
-    1SOL     H5    5   0.118500  -0.200660   0.255784
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.195704  -0.226434  -0.037037
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    1SOL     H5    5   0.010175  -0.310988   0.075328
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.132500  -0.097048  -0.261382
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-    6
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-    0SOL     H3    3   0.093141   0.020492  -0.008190
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-    1SOL     H5    5   0.022511  -0.254112  -0.266618
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015835  -0.078575   0.052321
-    0SOL     H3    3   0.037621   0.071238   0.051693
-    1SOL     O4    4   0.140091  -0.046786  -0.235259
-    1SOL     H5    5   0.191125  -0.036118  -0.154984
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030697   0.040059  -0.081335
-    0SOL     H3    3   0.067164  -0.064637   0.021757
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-    1SOL     H5    5   0.094394  -0.254148  -0.171989
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.190407   0.022374  -0.211888
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-    6
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-    6
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-    1SOL     O4    4   0.195342   0.219549   0.126659
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-    6
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-    1SOL     H5    5  -0.266171  -0.105001  -0.152332
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.036563   0.067755   0.056875
-    1SOL     O4    4   0.210975  -0.125549   0.125856
-    1SOL     H5    5   0.280408  -0.084520   0.074301
-    1SOL     H6    6   0.233533  -0.218569   0.126766
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087161   0.025375  -0.030353
-    0SOL     H3    3   0.005742  -0.094654   0.013038
-    1SOL     O4    4  -0.006373  -0.276205  -0.015831
-    1SOL     H5    5   0.022413  -0.323191   0.062438
-    1SOL     H6    6   0.060891  -0.295098  -0.081260
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.025938  -0.090877   0.015197
-    0SOL     H3    3   0.043370   0.023961  -0.081897
-    1SOL     O4    4   0.075238  -0.272599   0.029785
-    1SOL     H5    5   0.011661  -0.334775   0.065204
-    1SOL     H6    6   0.104292  -0.312173  -0.052386
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022780  -0.071949   0.058879
-    0SOL     H3    3   0.013190   0.078998   0.052417
-    1SOL     O4    4   0.187420  -0.053482  -0.205527
-    1SOL     H5    5   0.104308  -0.028804  -0.164959
-    1SOL     H6    6   0.244455  -0.075535  -0.131887
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094634   0.014237   0.002024
-    0SOL     H3    3   0.029252   0.020463   0.088814
-    1SOL     O4    4   0.041293   0.305687   0.151835
-    1SOL     H5    5   0.015548   0.218540   0.181917
-    1SOL     H6    6   0.136948   0.302999   0.149549
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.035532  -0.004361  -0.088774
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.193413   0.091195  -0.088060
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.179895   0.147948  -0.241281
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-    6
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-    1SOL     H5    5   0.108220  -0.006568   0.286666
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.167047  -0.127258   0.209559
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-    6
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-    6
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-    1SOL     H5    5  -0.072499  -0.120207  -0.134956
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-    6
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-    1SOL     H5    5   0.189765  -0.145119  -0.127836
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4   0.154285   0.015753  -0.218153
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-    6
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-    6
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-    0SOL     H3    3   0.014052  -0.091982  -0.022451
-    1SOL     O4    4  -0.000588  -0.239051   0.197808
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-    6
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-    0SOL     H3    3   0.057053  -0.003423   0.076782
-    1SOL     O4    4   0.299207   0.074915  -0.093961
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.149940  -0.226810   0.097704
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079235   0.052152  -0.012820
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-    1SOL     O4    4  -0.147221   0.134851   0.184876
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-    1SOL     O4    4   0.093453   0.264618   0.043463
-    1SOL     H5    5   0.048466   0.277430   0.126975
-    1SOL     H6    6   0.076130   0.173288   0.020636
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-    6
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-    1SOL     H5    5   0.103320  -0.070070  -0.285564
-    1SOL     H6    6  -0.029020  -0.137217  -0.315502
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-    6
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-    0SOL     H3    3  -0.038866   0.086065   0.015639
-    1SOL     O4    4  -0.098762  -0.270629  -0.159996
-    1SOL     H5    5  -0.023577  -0.268771  -0.100784
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.084845   0.043393   0.008984
-    1SOL     O4    4  -0.070442   0.004558  -0.297903
-    1SOL     H5    5  -0.082184  -0.046481  -0.378024
-    1SOL     H6    6   0.019171   0.037732  -0.303497
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-    6
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-    1SOL     O4    4   0.173958   0.196806   0.090640
-    1SOL     H5    5   0.122275   0.146444   0.027753
-    1SOL     H6    6   0.264645   0.184232   0.062709
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-    6
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-    1SOL     O4    4  -0.218627   0.194177   0.117418
-    1SOL     H5    5  -0.287112   0.135784   0.084823
-    1SOL     H6    6  -0.138359   0.162497   0.075996
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.086088   0.015061  -0.039042
-    1SOL     O4    4  -0.165667   0.158739  -0.160167
-    1SOL     H5    5  -0.205413   0.209417  -0.089355
-    1SOL     H6    6  -0.122483   0.085602  -0.116026
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.037582   0.067384   0.056651
-    0SOL     H3    3  -0.091939  -0.004836   0.026195
-    1SOL     O4    4   0.200860  -0.193429   0.149480
-    1SOL     H5    5   0.124842  -0.155302   0.105550
-    1SOL     H6    6   0.275225  -0.142454   0.117329
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.023158  -0.087218   0.031922
-    0SOL     H3    3  -0.087795  -0.010401  -0.036690
-    1SOL     O4    4  -0.117782   0.148756   0.216631
-    1SOL     H5    5  -0.119475   0.187998   0.129341
-    1SOL     H6    6  -0.076522   0.063351   0.203752
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042038  -0.057047   0.064349
-    0SOL     H3    3   0.007709  -0.054077  -0.078604
-    1SOL     O4    4   0.014932  -0.182747  -0.210452
-    1SOL     H5    5  -0.059385  -0.149707  -0.260926
-    1SOL     H6    6  -0.023013  -0.248421  -0.152061
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.085017   0.043199   0.008262
-    0SOL     H3    3  -0.018261   0.000732  -0.093959
-    1SOL     O4    4  -0.106720  -0.055421  -0.257138
-    1SOL     H5    5  -0.176763  -0.093370  -0.310206
-    1SOL     H6    6  -0.043477  -0.022389  -0.320945
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042034  -0.001612  -0.085982
-    0SOL     H3    3   0.091188   0.022642  -0.018287
-    1SOL     O4    4  -0.191421  -0.007544  -0.197159
-    1SOL     H5    5  -0.213603  -0.033465  -0.286592
-    1SOL     H6    6  -0.241871   0.072401  -0.182131
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/388/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036431   0.040250   0.078835
-    0SOL     H3    3   0.018497  -0.093383   0.009990
-    1SOL     O4    4   0.215134  -0.191836   0.199604
-    1SOL     H5    5   0.192748  -0.216871   0.109969
-    1SOL     H6    6   0.130719  -0.183121   0.243880
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.030532  -0.073616   0.053017
-    0SOL     H3    3  -0.054196   0.073793   0.027924
-    1SOL     O4    4   0.267209   0.051704   0.017509
-    1SOL     H5    5   0.345877   0.000736   0.036898
-    1SOL     H6    6   0.194775  -0.004788   0.044422
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/390/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000573   0.094267   0.016605
-    0SOL     H3    3  -0.092135  -0.021163  -0.015022
-    1SOL     O4    4   0.367500  -0.038667  -0.092523
-    1SOL     H5    5   0.316821  -0.104773  -0.045365
-    1SOL     H6    6   0.372962  -0.071996  -0.182086
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078126  -0.001148  -0.055293
-    0SOL     H3    3  -0.005750   0.082642   0.047953
-    1SOL     O4    4  -0.172088  -0.082968  -0.236690
-    1SOL     H5    5  -0.266239  -0.065865  -0.239009
-    1SOL     H6    6  -0.152090  -0.118913  -0.323121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/392/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.050683  -0.053885   0.060746
-    0SOL     H3    3   0.002638  -0.048121  -0.082703
-    1SOL     O4    4  -0.134642   0.111812   0.325465
-    1SOL     H5    5  -0.158556   0.032027   0.372633
-    1SOL     H6    6  -0.177228   0.102960   0.240199
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093484   0.013869   0.015190
-    0SOL     H3    3   0.004017  -0.047892  -0.082780
-    1SOL     O4    4   0.067371   0.243153  -0.121551
-    1SOL     H5    5   0.001206   0.290899  -0.071503
-    1SOL     H6    6   0.058110   0.152265  -0.092986
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.086538  -0.038570   0.013632
-    0SOL     H3    3  -0.015695   0.094419  -0.000996
-    1SOL     O4    4  -0.014510   0.259860  -0.060546
-    1SOL     H5    5  -0.091704   0.229162  -0.108097
-    1SOL     H6    6  -0.048898   0.292144   0.022746
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.272318   0.023369  -0.046096
-    1SOL     H5    5   0.180529   0.026488  -0.019127
-    1SOL     H6    6   0.282601   0.098173  -0.104926
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.112419   0.166113   0.175250
-    1SOL     H5    5  -0.204254   0.145487   0.192662
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083464   0.046852  -0.000976
-    0SOL     H3    3   0.016729  -0.079875  -0.050025
-    1SOL     O4    4   0.158075  -0.184763  -0.165809
-    1SOL     H5    5   0.203398  -0.126385  -0.226638
-    1SOL     H6    6   0.106052  -0.242235  -0.221960
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.072969   0.033119  -0.052355
-    1SOL     O4    4  -0.109496   0.109823   0.217523
-    1SOL     H5    5  -0.055743   0.120970   0.295936
-    1SOL     H6    6  -0.055948   0.056078   0.159159
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.016871  -0.036810  -0.275895
-    1SOL     H5    5  -0.034086   0.050962  -0.309986
-    1SOL     H6    6  -0.006178  -0.024261  -0.181605
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024630   0.067048  -0.063720
-    0SOL     H3    3  -0.091647   0.018715   0.020319
-    1SOL     O4    4   0.071141   0.234425  -0.091591
-    1SOL     H5    5   0.058114   0.280368  -0.174548
-    1SOL     H6    6   0.031171   0.291536  -0.025994
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.273329   0.041079   0.016672
-    1SOL     H5    5  -0.317166   0.069872  -0.063400
-    1SOL     H6    6  -0.344711   0.020007   0.076863
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012320  -0.065936  -0.068286
-    0SOL     H3    3  -0.091464  -0.009702   0.026507
-    1SOL     O4    4   0.098312  -0.213938   0.142970
-    1SOL     H5    5   0.062244  -0.133770   0.105094
-    1SOL     H6    6   0.085588  -0.203753   0.237292
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.036546   0.059399  -0.065563
-    1SOL     O4    4   0.287313   0.040343  -0.168824
-    1SOL     H5    5   0.254538   0.129975  -0.176182
-    1SOL     H6    6   0.264198  -0.000583  -0.252209
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073522   0.056521   0.023711
-    0SOL     H3    3  -0.074893   0.059305  -0.006027
-    1SOL     O4    4   0.252582   0.130592   0.009492
-    1SOL     H5    5   0.313500   0.178601   0.065585
-    1SOL     H6    6   0.195531   0.198089  -0.027271
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.055631   0.021174   0.074961
-    1SOL     O4    4   0.044433  -0.394838  -0.049273
-    1SOL     H5    5   0.034546  -0.375022  -0.142397
-    1SOL     H6    6   0.136019  -0.421039  -0.039904
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.051442  -0.060636   0.053286
-    0SOL     H3    3  -0.002000  -0.037712  -0.087955
-    1SOL     O4    4   0.061099   0.277265  -0.010741
-    1SOL     H5    5   0.026633   0.189526   0.005879
-    1SOL     H6    6   0.020737   0.303639  -0.093431
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.041353   0.066936  -0.054514
-    0SOL     H3    3  -0.000162   0.037356   0.088130
-    1SOL     O4    4  -0.059729   0.216366   0.153782
-    1SOL     H5    5  -0.129043   0.254514   0.099905
-    1SOL     H6    6  -0.106151   0.163741   0.218881
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091869  -0.019590  -0.018401
-    0SOL     H3    3  -0.001375   0.087696   0.038340
-    1SOL     O4    4   0.090319   0.172770   0.336373
-    1SOL     H5    5   0.086983   0.202221   0.245358
-    1SOL     H6    6   0.015594   0.215545   0.378193
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074923  -0.039372   0.044707
-    0SOL     H3    3   0.057566  -0.073832  -0.019933
-    1SOL     O4    4  -0.198105  -0.174305   0.081988
-    1SOL     H5    5  -0.272958  -0.196061   0.026436
-    1SOL     H6    6  -0.231406  -0.107689   0.142119
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060148  -0.001940   0.074436
-    0SOL     H3    3   0.003373  -0.090668  -0.030499
-    1SOL     O4    4  -0.168258   0.058797   0.200107
-    1SOL     H5    5  -0.182373  -0.020519   0.251798
-    1SOL     H6    6  -0.163854   0.129166   0.264845
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083732   0.044571   0.012832
-    0SOL     H3    3  -0.060851   0.046167   0.057690
-    1SOL     O4    4  -0.019614   0.280768  -0.134844
-    1SOL     H5    5   0.037964   0.351358  -0.164240
-    1SOL     H6    6   0.027877   0.200507  -0.156413
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045933   0.054510   0.063884
-    0SOL     H3    3   0.023516  -0.089713   0.023683
-    1SOL     O4    4  -0.016058   0.227005  -0.202697
-    1SOL     H5    5  -0.002297   0.229945  -0.297377
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-    6
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-    0SOL     H2    2   0.079158   0.038007   0.038101
-    0SOL     H3    3  -0.005044   0.037995  -0.087711
-    1SOL     O4    4  -0.102350  -0.212942  -0.295044
-    1SOL     H5    5  -0.128452  -0.171104  -0.377084
-    1SOL     H6    6  -0.016338  -0.175785  -0.275460
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095468   0.001977  -0.006652
-    0SOL     H3    3   0.029335  -0.032187  -0.085240
-    1SOL     O4    4   0.063048  -0.112996  -0.240949
-    1SOL     H5    5   0.087505  -0.042406  -0.300792
-    1SOL     H6    6  -0.031143  -0.123964  -0.253995
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051815   0.080148   0.007333
-    0SOL     H3    3  -0.088202   0.025921   0.026663
-    1SOL     O4    4   0.045950   0.251627   0.108318
-    1SOL     H5    5   0.118398   0.266235   0.047488
-    1SOL     H6    6   0.088040   0.240734   0.193595
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/416/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076190   0.027905  -0.050781
-    0SOL     H3    3   0.021697   0.075769   0.054320
-    1SOL     O4    4   0.143342   0.189705   0.141116
-    1SOL     H5    5   0.110989   0.202213   0.230330
-    1SOL     H6    6   0.208935   0.120424   0.148868
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/417/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022419   0.025111   0.089606
-    0SOL     H3    3  -0.032982   0.071813  -0.054013
-    1SOL     O4    4  -0.009452   0.161145  -0.205775
-    1SOL     H5    5   0.013150   0.248753  -0.174530
-    1SOL     H6    6   0.054919   0.142712  -0.274178
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/418/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020067  -0.059855  -0.071952
-    0SOL     H3    3   0.053494  -0.031349   0.072924
-    1SOL     O4    4   0.153917   0.177424  -0.068368
-    1SOL     H5    5   0.079544   0.119767  -0.050862
-    1SOL     H6    6   0.133230   0.218457  -0.152336
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/419/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025807  -0.036219  -0.084761
-    0SOL     H3    3   0.090689   0.027972  -0.012463
-    1SOL     O4    4   0.257877   0.091755   0.035070
-    1SOL     H5    5   0.319680   0.070410   0.104977
-    1SOL     H6    6   0.272027   0.184897   0.018140
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/420/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032576  -0.077718   0.045398
-    0SOL     H3    3   0.049948   0.072471   0.037623
-    1SOL     O4    4   0.280510   0.082862   0.170224
-    1SOL     H5    5   0.349921   0.105845   0.108449
-    1SOL     H6    6   0.257095   0.165768   0.211945
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/421/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009913   0.076628   0.056500
-    0SOL     H3    3  -0.050250  -0.068731   0.043741
-    1SOL     O4    4  -0.124388   0.075367  -0.227351
-    1SOL     H5    5  -0.093082   0.040731  -0.143789
-    1SOL     H6    6  -0.219677   0.077073  -0.218435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/422/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020855   0.039781  -0.084528
-    0SOL     H3    3   0.089971   0.027362   0.017856
-    1SOL     O4    4  -0.215931  -0.100671   0.122100
-    1SOL     H5    5  -0.138485  -0.069572   0.075225
-    1SOL     H6    6  -0.221568  -0.044256   0.199222
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/423/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028761   0.088902  -0.020773
-    0SOL     H3    3  -0.055065  -0.056354  -0.054355
-    1SOL     O4    4   0.181250  -0.140322  -0.151991
-    1SOL     H5    5   0.106154  -0.085538  -0.129151
-    1SOL     H6    6   0.198964  -0.119708  -0.243771
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/424/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070134   0.057973   0.029710
-    0SOL     H3    3   0.080602   0.044257   0.026590
-    1SOL     O4    4  -0.165110   0.145366   0.133662
-    1SOL     H5    5  -0.219123   0.092826   0.192692
-    1SOL     H6    6  -0.098804   0.184680   0.190410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/425/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044694  -0.078278   0.032208
-    0SOL     H3    3   0.043388   0.072577   0.044860
-    1SOL     O4    4  -0.263348  -0.011741   0.038540
-    1SOL     H5    5  -0.300207   0.009860  -0.047117
-    1SOL     H6    6  -0.168833  -0.001683   0.027224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/426/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056480   0.029134  -0.071579
-    0SOL     H3    3  -0.078875   0.053587  -0.008333
-    1SOL     O4    4   0.038392  -0.291839  -0.081761
-    1SOL     H5    5   0.085941  -0.273071  -0.162688
-    1SOL     H6    6   0.017308  -0.205680  -0.045783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/427/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051560  -0.073347  -0.033528
-    0SOL     H3    3   0.061439   0.049903   0.053826
-    1SOL     O4    4  -0.073751   0.227580  -0.112368
-    1SOL     H5    5  -0.033456   0.147631  -0.078504
-    1SOL     H6    6   0.000196   0.283777  -0.135521
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/428/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018054   0.039871  -0.085127
-    0SOL     H3    3   0.072310  -0.060462  -0.016670
-    1SOL     O4    4  -0.233716   0.186433  -0.163417
-    1SOL     H5    5  -0.182509   0.225674  -0.234130
-    1SOL     H6    6  -0.230220   0.250816  -0.092672
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/429/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032524   0.068846  -0.058007
-    0SOL     H3    3  -0.050419  -0.057799  -0.057267
-    1SOL     O4    4  -0.106407  -0.216954  -0.126799
-    1SOL     H5    5  -0.162926  -0.284396  -0.089123
-    1SOL     H6    6  -0.152467  -0.188362  -0.205686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/430/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030434  -0.008339   0.090369
-    0SOL     H3    3   0.043081  -0.071694  -0.046544
-    1SOL     O4    4  -0.123116  -0.308476  -0.093080
-    1SOL     H5    5  -0.082679  -0.333751  -0.010083
-    1SOL     H6    6  -0.164982  -0.388522  -0.124737
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/431/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.044992   0.006107   0.084266
-    0SOL     H3    3   0.091935  -0.013762   0.022823
-    1SOL     O4    4  -0.136663   0.118825   0.224577
-    1SOL     H5    5  -0.089503   0.121776   0.307821
-    1SOL     H6    6  -0.168111   0.208299   0.211625
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074304  -0.052198  -0.030275
-    0SOL     H3    3  -0.037736   0.060919   0.063461
-    1SOL     O4    4  -0.172090  -0.141320  -0.132007
-    1SOL     H5    5  -0.185729  -0.209775  -0.066507
-    1SOL     H6    6  -0.115499  -0.181886  -0.197689
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.034523   0.037994   0.080789
-    0SOL     H3    3  -0.075219  -0.003104  -0.059117
-    1SOL     O4    4   0.038540  -0.279201   0.154353
-    1SOL     H5    5   0.016935  -0.342049   0.085464
-    1SOL     H6    6   0.016373  -0.193955   0.116881
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.053555  -0.079270  -0.003238
-    0SOL     H3    3   0.002663   0.030880  -0.090563
-    1SOL     O4    4  -0.006537  -0.178709   0.273796
-    1SOL     H5    5   0.056028  -0.205770   0.206598
-    1SOL     H6    6   0.001966  -0.244798   0.342514
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.032217  -0.076913   0.046997
-    0SOL     H3    3   0.062573   0.040396   0.060126
-    1SOL     O4    4   0.082172   0.282443   0.082461
-    1SOL     H5    5   0.122557   0.367538   0.099497
-    1SOL     H6    6   0.139962   0.240826   0.018502
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/436/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022578   0.080095  -0.047301
-    0SOL     H3    3  -0.017808  -0.064231  -0.068699
-    1SOL     O4    4  -0.119577  -0.180440   0.204957
-    1SOL     H5    5  -0.081603  -0.190908   0.292196
-    1SOL     H6    6  -0.087104  -0.095645   0.174665
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/437/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004795  -0.035944   0.088585
-    0SOL     H3    3  -0.012965   0.094131   0.011561
-    1SOL     O4    4   0.208385  -0.165819  -0.073972
-    1SOL     H5    5   0.133213  -0.106661  -0.077398
-    1SOL     H6    6   0.183779  -0.239178  -0.130323
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001303   0.031316   0.090443
-    0SOL     H3    3  -0.050674  -0.081182   0.001980
-    1SOL     O4    4   0.044126   0.097628   0.252812
-    1SOL     H5    5   0.076317   0.174905   0.299227
-    1SOL     H6    6  -0.037578   0.075188   0.297346
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001701  -0.073422  -0.061390
-    0SOL     H3    3   0.086266  -0.005127   0.041161
-    1SOL     O4    4   0.084106   0.082003  -0.307301
-    1SOL     H5    5  -0.011352   0.086815  -0.302105
-    1SOL     H6    6   0.110005   0.163940  -0.349464
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060479   0.069367   0.026322
-    0SOL     H3    3   0.064136  -0.004116   0.070936
-    1SOL     O4    4  -0.212914   0.175711   0.022281
-    1SOL     H5    5  -0.302010   0.142066   0.012676
-    1SOL     H6    6  -0.214022   0.259912  -0.023230
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080127   0.006609   0.051944
-    0SOL     H3    3  -0.021368   0.043231  -0.082685
-    1SOL     O4    4   0.267542   0.000112   0.047921
-    1SOL     H5    5   0.271014  -0.051376   0.128539
-    1SOL     H6    6   0.174444   0.018240   0.035014
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042022   0.019994  -0.083646
-    0SOL     H3    3  -0.065428   0.023242   0.065888
-    1SOL     O4    4  -0.059434  -0.004096  -0.278051
-    1SOL     H5    5  -0.155076  -0.005229  -0.274354
-    1SOL     H6    6  -0.037007   0.088055  -0.290995
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.038241   0.044923   0.075378
-    0SOL     H3    3   0.024870   0.053805  -0.075158
-    1SOL     O4    4   0.019702   0.100404   0.260228
-    1SOL     H5    5   0.043428   0.017045   0.300857
-    1SOL     H6    6   0.096710   0.155898   0.272577
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003350  -0.028411  -0.091345
-    0SOL     H3    3   0.001258   0.095604  -0.004541
-    1SOL     O4    4   0.018383  -0.324587  -0.082787
-    1SOL     H5    5  -0.018811  -0.408871  -0.056806
-    1SOL     H6    6   0.065409  -0.294157  -0.005166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/445/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004111   0.042631  -0.085604
-    0SOL     H3    3  -0.030964   0.066534   0.061455
-    1SOL     O4    4   0.133734  -0.026537   0.381676
-    1SOL     H5    5   0.159144   0.021086   0.460725
-    1SOL     H6    6   0.202344  -0.005978   0.318176
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/446/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093409   0.000202   0.020905
-    0SOL     H3    3  -0.041999  -0.035985   0.078124
-    1SOL     O4    4   0.245408   0.015098   0.087944
-    1SOL     H5    5   0.231501   0.091770   0.143534
-    1SOL     H6    6   0.314441   0.041697   0.027205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/447/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020546   0.083029  -0.042969
-    0SOL     H3    3  -0.033164  -0.066879  -0.059913
-    1SOL     O4    4   0.237960   0.102970   0.111296
-    1SOL     H5    5   0.252498   0.181572   0.058640
-    1SOL     H6    6   0.158467   0.064039   0.074860
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/448/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000846   0.068839  -0.066504
-    0SOL     H3    3  -0.055981   0.033575   0.070008
-    1SOL     O4    4   0.036650   0.223301  -0.144856
-    1SOL     H5    5  -0.037492   0.224291  -0.205389
-    1SOL     H6    6   0.048509   0.314956  -0.119934
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4   0.253002  -0.093440  -0.039930
-    1SOL     H5    5   0.174253  -0.039089  -0.037316
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-    6
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-    0SOL     H3    3   0.014796   0.020038  -0.092422
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-    1SOL     H5    5   0.156774  -0.194387  -0.239841
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028838  -0.086863   0.028026
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-    1SOL     O4    4   0.240940   0.077920   0.097470
-    1SOL     H5    5   0.168598   0.045910   0.043579
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.132807   0.372218   0.185415
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-    6
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-    1SOL     H5    5  -0.151048   0.201053  -0.152557
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.302101   0.162799  -0.056142
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-    6
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-    6
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-    1SOL     H5    5  -0.147913  -0.233351   0.139329
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.288087   0.044198  -0.181993
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4  -0.228246   0.019091  -0.170194
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-    6
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-    1SOL     H5    5  -0.059222   0.147385   0.220399
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-    6
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-    1SOL     H5    5  -0.254483   0.100904   0.225242
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.069554   0.017530  -0.426568
-    1SOL     H6    6   0.131734   0.012517  -0.288627
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039130   0.070637  -0.051397
-    0SOL     H3    3   0.052611  -0.003538   0.079887
-    1SOL     O4    4  -0.217140   0.094424   0.129549
-    1SOL     H5    5  -0.242110   0.174758   0.083884
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.048796   0.003287  -0.082283
-    1SOL     O4    4  -0.340457   0.109259   0.244478
-    1SOL     H5    5  -0.349864   0.086035   0.336860
-    1SOL     H6    6  -0.247322   0.128702   0.233983
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.048000   0.059817  -0.057274
-    1SOL     O4    4  -0.177947   0.263274  -0.187874
-    1SOL     H5    5  -0.137361   0.290757  -0.105657
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.080183  -0.010197   0.051274
-    1SOL     O4    4  -0.229072  -0.024710   0.146921
-    1SOL     H5    5  -0.205747   0.023851   0.226042
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-    6
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-    1SOL     O4    4   0.056399   0.293153   0.006670
-    1SOL     H5    5   0.128602   0.294421   0.069499
-    1SOL     H6    6   0.097307   0.313983  -0.077324
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-    6
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-    0SOL     H2    2  -0.002487  -0.059888  -0.074630
-    0SOL     H3    3   0.046748  -0.048409   0.068070
-    1SOL     O4    4   0.136177  -0.121126   0.201710
-    1SOL     H5    5   0.145326  -0.215229   0.216652
-    1SOL     H6    6   0.175677  -0.080616   0.278918
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/488/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013221  -0.089740  -0.030565
-    0SOL     H3    3  -0.053242  -0.009159   0.079017
-    1SOL     O4    4  -0.288094  -0.016119  -0.168264
-    1SOL     H5    5  -0.292112  -0.092402  -0.110584
-    1SOL     H6    6  -0.358977  -0.029797  -0.231119
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.050785   0.061854  -0.052510
-    0SOL     H3    3  -0.013617  -0.075052  -0.057829
-    1SOL     O4    4   0.248227  -0.126073  -0.137837
-    1SOL     H5    5   0.194074  -0.095486  -0.210598
-    1SOL     H6    6   0.212248  -0.211937  -0.115583
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/490/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.059760  -0.071011  -0.023420
-    0SOL     H3    3  -0.081005  -0.020409  -0.046733
-    1SOL     O4    4   0.072674   0.042917   0.260783
-    1SOL     H5    5   0.069471   0.136255   0.281761
-    1SOL     H6    6   0.046082   0.038032   0.168960
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082634   0.021713  -0.043157
-    0SOL     H3    3  -0.008148  -0.094837  -0.010088
-    1SOL     O4    4   0.283946  -0.191529   0.073249
-    1SOL     H5    5   0.295691  -0.108329   0.119099
-    1SOL     H6    6   0.257696  -0.166601  -0.015362
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017786  -0.093776   0.007217
-    0SOL     H3    3   0.056005   0.019654   0.075097
-    1SOL     O4    4  -0.110953   0.015762  -0.317618
-    1SOL     H5    5  -0.151010   0.090110  -0.272563
-    1SOL     H6    6  -0.172191  -0.005437  -0.388066
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/493/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081585  -0.021471   0.045223
-    0SOL     H3    3  -0.000912  -0.057557  -0.076477
-    1SOL     O4    4   0.286005  -0.056793   0.067980
-    1SOL     H5    5   0.341582  -0.087396  -0.003693
-    1SOL     H6    6   0.329351   0.022382   0.099836
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/494/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.061298   0.013364  -0.072293
-    0SOL     H3    3  -0.081842   0.039277  -0.030358
-    1SOL     O4    4  -0.260440  -0.138358   0.098420
-    1SOL     H5    5  -0.292828  -0.221806   0.132328
-    1SOL     H6    6  -0.210310  -0.161998   0.020379
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/495/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091628  -0.026277   0.008724
-    0SOL     H3    3  -0.012521   0.012530  -0.094067
-    1SOL     O4    4  -0.058128   0.056178  -0.267381
-    1SOL     H5    5  -0.001722   0.132166  -0.281750
-    1SOL     H6    6  -0.142546   0.093425  -0.241918
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/496/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087918  -0.017839  -0.033383
-    0SOL     H3    3  -0.051794  -0.075801  -0.027089
-    1SOL     O4    4   0.256395   0.048196  -0.054388
-    1SOL     H5    5   0.325893   0.010767  -0.000245
-    1SOL     H6    6   0.238629   0.133596  -0.014975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/497/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049886   0.059479  -0.055999
-    0SOL     H3    3   0.063757  -0.065629   0.028111
-    1SOL     O4    4  -0.154043  -0.060862  -0.240805
-    1SOL     H5    5  -0.123134  -0.032313  -0.154829
-    1SOL     H6    6  -0.225259  -0.121886  -0.221658
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/498/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001679  -0.082079   0.049219
-    0SOL     H3    3   0.002649   0.068253   0.067059
-    1SOL     O4    4  -0.237242   0.065656  -0.122072
-    1SOL     H5    5  -0.161952   0.034663  -0.071742
-    1SOL     H6    6  -0.221296   0.034076  -0.211015
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/499/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060471   0.007066   0.073863
-    0SOL     H3    3   0.022510  -0.092959  -0.003779
-    1SOL     O4    4   0.114288  -0.238635  -0.060405
-    1SOL     H5    5   0.025917  -0.273098  -0.047554
-    1SOL     H6    6   0.120683  -0.223542  -0.154711
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/500/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014133  -0.085671   0.040287
-    0SOL     H3    3  -0.047459  -0.019064  -0.080911
-    1SOL     O4    4  -0.026967   0.341056  -0.225763
-    1SOL     H5    5   0.025389   0.279625  -0.277216
-    1SOL     H6    6   0.004120   0.427492  -0.252683
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/501/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012846  -0.042212  -0.084944
-    0SOL     H3    3  -0.086328  -0.029716   0.028755
-    1SOL     O4    4   0.144896  -0.017694   0.238233
-    1SOL     H5    5   0.103692  -0.025739   0.152211
-    1SOL     H6    6   0.210424   0.051187   0.227108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/502/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.041139  -0.000386  -0.086428
-    0SOL     H3    3  -0.093981  -0.000618  -0.018153
-    1SOL     O4    4   0.232301  -0.022828   0.341255
-    1SOL     H5    5   0.312819  -0.047883   0.386547
-    1SOL     H6    6   0.197184  -0.105189   0.307405
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/503/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036219   0.062237  -0.063064
-    0SOL     H3    3   0.052934   0.012153   0.078820
-    1SOL     O4    4   0.170530  -0.216412  -0.060144
-    1SOL     H5    5   0.086886  -0.171451  -0.048124
-    1SOL     H6    6   0.154511  -0.278247  -0.131432
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/504/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.033383   0.089524  -0.005776
-    0SOL     H3    3   0.059709   0.001432   0.074801
-    1SOL     O4    4   0.041401  -0.299814   0.002939
-    1SOL     H5    5   0.040143  -0.213962   0.045251
-    1SOL     H6    6  -0.045422  -0.336289   0.020074
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/505/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.041014   0.003376   0.086422
-    0SOL     H3    3   0.053717   0.057667  -0.054326
-    1SOL     O4    4   0.133470   0.171643  -0.150389
-    1SOL     H5    5   0.215803   0.153967  -0.104879
-    1SOL     H6    6   0.150227   0.146097  -0.241102
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/506/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060123   0.034105  -0.066214
-    0SOL     H3    3   0.052249  -0.062928   0.049723
-    1SOL     O4    4   0.027421  -0.397962  -0.141466
-    1SOL     H5    5  -0.025465  -0.404798  -0.220957
-    1SOL     H6    6  -0.032452  -0.362406  -0.075791
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/507/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045609  -0.003576  -0.084080
-    0SOL     H3    3  -0.032559  -0.089003   0.013445
-    1SOL     O4    4   0.064418   0.133881   0.224815
-    1SOL     H5    5   0.160037   0.137689   0.226977
-    1SOL     H6    6   0.044231   0.081587   0.147226
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/508/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020648   0.039070  -0.084909
-    0SOL     H3    3  -0.086415   0.034770   0.022040
-    1SOL     O4    4  -0.253670   0.065675   0.061351
-    1SOL     H5    5  -0.328423   0.008502   0.078834
-    1SOL     H6    6  -0.292559   0.151410   0.044045
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/509/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.030436   0.007941  -0.090404
-    0SOL     H3    3   0.016387   0.090114   0.027808
-    1SOL     O4    4   0.236277   0.142573   0.261734
-    1SOL     H5    5   0.294344   0.192859   0.204621
-    1SOL     H6    6   0.148406   0.173735   0.240054
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/510/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042993  -0.045350   0.072508
-    0SOL     H3    3   0.048189   0.071481   0.041600
-    1SOL     O4    4  -0.182819   0.115711  -0.154581
-    1SOL     H5    5  -0.208562   0.084364  -0.241281
-    1SOL     H6    6  -0.121266   0.049787  -0.122527
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.033815  -0.081794  -0.036449
-    0SOL     H3    3  -0.026928  -0.001708   0.091838
-    1SOL     O4    4  -0.200875   0.161593  -0.042638
-    1SOL     H5    5  -0.141820   0.233128  -0.066252
-    1SOL     H6    6  -0.146130   0.083149  -0.046082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/512/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010656  -0.061043   0.072956
-    0SOL     H3    3  -0.093062   0.022385   0.000836
-    1SOL     O4    4  -0.268584   0.074056   0.048733
-    1SOL     H5    5  -0.337809   0.129620   0.084550
-    1SOL     H6    6  -0.269088   0.092615  -0.045169
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024257  -0.092086  -0.009705
-    0SOL     H3    3   0.042918   0.022345  -0.082590
-    1SOL     O4    4   0.193569   0.057944  -0.182665
-    1SOL     H5    5   0.213943   0.149955  -0.199430
-    1SOL     H6    6   0.270735   0.024176  -0.137196
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/514/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020551  -0.086573  -0.035287
-    0SOL     H3    3   0.002850  -0.012790   0.094819
-    1SOL     O4    4   0.004596  -0.259120  -0.118198
-    1SOL     H5    5   0.010531  -0.248122  -0.213099
-    1SOL     H6    6  -0.012149  -0.352554  -0.105868
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010592   0.084977   0.042766
-    0SOL     H3    3   0.085926  -0.041509   0.007483
-    1SOL     O4    4   0.006901   0.256205   0.073027
-    1SOL     H5    5   0.055362   0.336394   0.053442
-    1SOL     H6    6  -0.045937   0.278227   0.149744
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/516/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.050882  -0.063928  -0.049865
-    0SOL     H3    3  -0.090995  -0.018160  -0.023503
-    1SOL     O4    4  -0.115752   0.293763   0.088705
-    1SOL     H5    5  -0.038789   0.274017   0.035328
-    1SOL     H6    6  -0.095881   0.378212   0.129151
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.037358  -0.035893   0.080488
-    0SOL     H3    3   0.022884  -0.063782  -0.067605
-    1SOL     O4    4   0.078074  -0.106149  -0.239879
-    1SOL     H5    5   0.124192  -0.022276  -0.238994
-    1SOL     H6    6   0.147332  -0.171706  -0.231629
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.027122  -0.075663  -0.051979
-    0SOL     H3    3   0.087028  -0.023132   0.032455
-    1SOL     O4    4  -0.139511   0.180858  -0.183503
-    1SOL     H5    5  -0.189016   0.195914  -0.102974
-    1SOL     H6    6  -0.074438   0.114825  -0.159679
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044955   0.010414  -0.083862
-    0SOL     H3    3  -0.049593  -0.081342  -0.009294
-    1SOL     O4    4  -0.040950   0.261485   0.022782
-    1SOL     H5    5  -0.017517   0.170135   0.006400
-    1SOL     H6    6  -0.106637   0.257318   0.092281
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032170  -0.064500   0.062986
-    0SOL     H3    3  -0.013771  -0.049887  -0.080523
-    1SOL     O4    4  -0.067595  -0.095232  -0.241422
-    1SOL     H5    5  -0.159106  -0.121201  -0.252087
-    1SOL     H6    6  -0.063625  -0.006310  -0.276627
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/521/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019676  -0.044429   0.082469
-    0SOL     H3    3  -0.041444  -0.067171  -0.054155
-    1SOL     O4    4  -0.045666   0.236790   0.151572
-    1SOL     H5    5  -0.013808   0.149066   0.172829
-    1SOL     H6    6  -0.017921   0.251127   0.061090
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/522/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    1SOL     H5    5  -0.251217   0.266534  -0.037053
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-    6
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-    1SOL     H5    5  -0.111346   0.164895  -0.234212
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-    6
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-    1SOL     H5    5  -0.294652   0.022808  -0.252970
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4  -0.138185   0.199568   0.201534
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-    6
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-    1SOL     O4    4  -0.166752  -0.189059  -0.102372
-    1SOL     H5    5  -0.173160  -0.236497  -0.019482
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-    6
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-    1SOL     H5    5  -0.087598  -0.082394   0.135085
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-    6
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-    1SOL     H5    5  -0.152985  -0.069313   0.052883
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-    6
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-    6
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-    1SOL     H5    5   0.249459  -0.300726  -0.161163
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.049983   0.013615   0.080490
-    1SOL     O4    4  -0.006699   0.337069  -0.082148
-    1SOL     H5    5   0.061044   0.288401  -0.035195
-    1SOL     H6    6  -0.030706   0.280241  -0.155337
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011494   0.055818  -0.076906
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-    1SOL     H6    6   0.134628  -0.138153  -0.024425
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-    6
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-    1SOL     H6    6  -0.215360  -0.254659   0.017227
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    0SOL     H3    3  -0.054075  -0.021664   0.075953
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.270191  -0.285547   0.016760
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-    6
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-    1SOL     H5    5  -0.279267  -0.067098  -0.095733
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-    6
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-    0SOL     H3    3  -0.005693  -0.032152   0.089979
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-    1SOL     H5    5   0.088503   0.268040   0.146583
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-    6
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-    6
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-    1SOL     O4    4   0.194259   0.148081   0.103842
-    1SOL     H5    5   0.235728   0.169714   0.020327
-    1SOL     H6    6   0.180223   0.232713   0.146301
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-    6
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-    1SOL     O4    4   0.225767   0.138120  -0.071196
-    1SOL     H5    5   0.172651   0.206185  -0.112524
-    1SOL     H6    6   0.290297   0.114308  -0.137764
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-    6
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-    0SOL     H2    2   0.027604   0.062244   0.067276
-    0SOL     H3    3  -0.031659   0.054774  -0.071832
-    1SOL     O4    4   0.122644   0.168701   0.163512
-    1SOL     H5    5   0.125768   0.244795   0.105527
-    1SOL     H6    6   0.210298   0.130651   0.157919
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-    6
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-    0SOL     H3    3   0.090099   0.021402  -0.024216
-    1SOL     O4    4  -0.298537  -0.013525   0.148116
-    1SOL     H5    5  -0.365720  -0.081701   0.147216
-    1SOL     H6    6  -0.286748   0.009768   0.056024
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-    6
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-    0SOL     H2    2  -0.021979   0.047377  -0.080216
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-    1SOL     O4    4  -0.253838   0.192564   0.043908
-    1SOL     H5    5  -0.330951   0.234129   0.082486
-    1SOL     H6    6  -0.196516   0.265511   0.020346
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-    6
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-    0SOL     H3    3   0.004013   0.091324   0.028393
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-    1SOL     H5    5  -0.263033  -0.218741   0.020629
-    1SOL     H6    6  -0.170778  -0.102153   0.049183
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069456   0.059525   0.028196
-    0SOL     H3    3  -0.045839  -0.080205  -0.025065
-    1SOL     O4    4   0.076482  -0.139950   0.228239
-    1SOL     H5    5   0.105939  -0.096520   0.148186
-    1SOL     H6    6   0.046142  -0.225938   0.199121
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/566/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.021505   0.092042   0.015102
-    0SOL     H3    3  -0.060374  -0.022468   0.070799
-    1SOL     O4    4  -0.061042   0.302400   0.017811
-    1SOL     H5    5  -0.136090   0.343086  -0.025489
-    1SOL     H6    6  -0.088038   0.293410   0.109204
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/567/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.026956  -0.031928   0.086118
-    0SOL     H3    3   0.034702   0.087635   0.016678
-    1SOL     O4    4  -0.207995   0.164703  -0.116556
-    1SOL     H5    5  -0.151646   0.107981  -0.063928
-    1SOL     H6    6  -0.290824   0.117135  -0.122788
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/568/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001988   0.013254  -0.094777
-    0SOL     H3    3   0.024212  -0.091967   0.010869
-    1SOL     O4    4   0.016337   0.023078  -0.291733
-    1SOL     H5    5   0.094226  -0.032205  -0.298019
-    1SOL     H6    6  -0.057034  -0.037679  -0.301091
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/569/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086665  -0.015945  -0.037380
-    0SOL     H3    3   0.004249   0.089742   0.033024
-    1SOL     O4    4   0.005995  -0.209506   0.160957
-    1SOL     H5    5  -0.003370  -0.149507   0.086966
-    1SOL     H6    6   0.028414  -0.293555   0.121012
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/570/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052227  -0.075099   0.028192
-    0SOL     H3    3   0.001950   0.059948   0.074597
-    1SOL     O4    4   0.216296   0.074378  -0.125497
-    1SOL     H5    5   0.266637   0.004068  -0.166543
-    1SOL     H6    6   0.156628   0.029403  -0.065671
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/571/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006405   0.090474  -0.030591
-    0SOL     H3    3  -0.071360  -0.045547  -0.044672
-    1SOL     O4    4  -0.197850  -0.096457  -0.165345
-    1SOL     H5    5  -0.179430  -0.185588  -0.194989
-    1SOL     H6    6  -0.280690  -0.103577  -0.117919
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/572/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079237   0.046530  -0.026812
-    0SOL     H3    3  -0.062455   0.016251  -0.070693
-    1SOL     O4    4   0.221880  -0.308716  -0.058682
-    1SOL     H5    5   0.232067  -0.277325  -0.148533
-    1SOL     H6    6   0.130273  -0.290998  -0.037312
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/573/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030463  -0.044997  -0.078801
-    0SOL     H3    3  -0.093399  -0.020417   0.004704
-    1SOL     O4    4  -0.089764   0.227673   0.190886
-    1SOL     H5    5  -0.001415   0.219086   0.155067
-    1SOL     H6    6  -0.092243   0.315983   0.227730
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087369  -0.028078   0.027216
-    0SOL     H3    3   0.007130   0.012241  -0.094666
-    1SOL     O4    4   0.214671  -0.072543   0.141703
-    1SOL     H5    5   0.276028  -0.137793   0.107940
-    1SOL     H6    6   0.168068  -0.117602   0.212131
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047093   0.017745  -0.081423
-    0SOL     H3    3   0.075745  -0.051965  -0.026921
-    1SOL     O4    4  -0.204855  -0.098113   0.199429
-    1SOL     H5    5  -0.279079  -0.079261   0.142004
-    1SOL     H6    6  -0.129063  -0.062290   0.153227
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/576/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028817  -0.090449   0.012285
-    0SOL     H3    3   0.046794  -0.000852  -0.083498
-    1SOL     O4    4   0.197185  -0.041220   0.204011
-    1SOL     H5    5   0.179079  -0.055904   0.111173
-    1SOL     H6    6   0.112635  -0.016249   0.241294
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.030276  -0.032414  -0.084823
-    0SOL     H3    3   0.089050  -0.034104   0.008329
-    1SOL     O4    4  -0.013456  -0.235839   0.119033
-    1SOL     H5    5  -0.012092  -0.145005   0.088870
-    1SOL     H6    6   0.078685  -0.261634   0.121676
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083896  -0.045647   0.006332
-    0SOL     H3    3   0.021340   0.023626   0.090270
-    1SOL     O4    4   0.132567  -0.015617   0.236981
-    1SOL     H5    5   0.201189  -0.032267   0.172358
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017291   0.082166   0.045958
-    0SOL     H3    3   0.004054  -0.066987   0.068254
-    1SOL     O4    4  -0.094227  -0.103514  -0.215897
-    1SOL     H5    5  -0.043904  -0.071626  -0.140976
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.007110  -0.095217   0.006742
-    1SOL     O4    4   0.086352   0.054674  -0.249208
-    1SOL     H5    5   0.063496  -0.019769  -0.304869
-    1SOL     H6    6   0.123465   0.119162  -0.309427
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.012469   0.093410  -0.016777
-    1SOL     O4    4  -0.041236   0.266010   0.095773
-    1SOL     H5    5  -0.013938   0.337416   0.038168
-    1SOL     H6    6  -0.133163   0.284497   0.115004
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011238  -0.068772   0.065623
-    0SOL     H3    3  -0.077546   0.055280   0.009647
-    1SOL     O4    4  -0.133499  -0.300253   0.024408
-    1SOL     H5    5  -0.205524  -0.238775   0.038382
-    1SOL     H6    6  -0.110511  -0.289704  -0.067909
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.016921   0.020332   0.091993
-    1SOL     O4    4   0.248314   0.017579  -0.106858
-    1SOL     H5    5   0.251067  -0.044924  -0.179301
-    1SOL     H6    6   0.160421   0.007960  -0.070189
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.050541   0.051844  -0.062611
-    0SOL     H3    3   0.089449   0.001795  -0.034030
-    1SOL     O4    4   0.256730  -0.017005  -0.099852
-    1SOL     H5    5   0.276192  -0.101882  -0.139594
-    1SOL     H6    6   0.339855   0.011274  -0.061737
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022824   0.085669  -0.036087
-    0SOL     H3    3   0.081502  -0.050065  -0.003649
-    1SOL     O4    4   0.268461  -0.121955  -0.064497
-    1SOL     H5    5   0.217744  -0.193068  -0.103651
-    1SOL     H6    6   0.267819  -0.140857   0.029336
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.019213   0.091989   0.018200
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-    1SOL     O4    4   0.317242   0.156810   0.051137
-    1SOL     H5    5   0.248841   0.215859   0.019564
-    1SOL     H6    6   0.346507   0.195842   0.133492
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.046442   0.034522  -0.076248
-    1SOL     O4    4  -0.146917   0.083794  -0.246432
-    1SOL     H5    5  -0.136669   0.169788  -0.287204
-    1SOL     H6    6  -0.104095   0.023272  -0.306977
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068874  -0.042463   0.051142
-    0SOL     H3    3   0.001985  -0.048490  -0.082505
-    1SOL     O4    4  -0.186236   0.265372   0.070513
-    1SOL     H5    5  -0.139838   0.189486   0.105880
-    1SOL     H6    6  -0.136130   0.340770   0.101607
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085070  -0.027748   0.033993
-    0SOL     H3    3   0.056973   0.002307   0.076884
-    1SOL     O4    4  -0.058590  -0.320476  -0.079089
-    1SOL     H5    5  -0.129908  -0.273460  -0.122281
-    1SOL     H6    6   0.019779  -0.295375  -0.127983
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.019793   0.048472   0.080131
-    0SOL     H3    3   0.058377   0.057754  -0.049183
-    1SOL     O4    4  -0.230664  -0.191979   0.191798
-    1SOL     H5    5  -0.271262  -0.109496   0.165142
-    1SOL     H6    6  -0.232791  -0.189957   0.287473
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002368  -0.058775   0.075513
-    0SOL     H3    3  -0.060506  -0.039297  -0.062906
-    1SOL     O4    4   0.214394   0.026312  -0.177213
-    1SOL     H5    5   0.135479   0.034246  -0.123624
-    1SOL     H6    6   0.182510   0.028981  -0.267427
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019002   0.007005   0.093553
-    0SOL     H3    3  -0.025429  -0.091424  -0.012544
-    1SOL     O4    4   0.153159   0.046541   0.227007
-    1SOL     H5    5   0.157781   0.029757   0.321131
-    1SOL     H6    6   0.232704   0.006773   0.191603
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.090615  -0.026386   0.015968
-    0SOL     H3    3  -0.006539   0.087606   0.038010
-    1SOL     O4    4  -0.032420   0.236084   0.125894
-    1SOL     H5    5   0.018273   0.302567   0.079282
-    1SOL     H6    6  -0.112214   0.225988   0.073997
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/594/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091332  -0.028648   0.000266
-    0SOL     H3    3   0.001517   0.075890   0.058316
-    1SOL     O4    4  -0.197602   0.193659  -0.132003
-    1SOL     H5    5  -0.187884   0.228730  -0.043471
-    1SOL     H6    6  -0.290927   0.202674  -0.151277
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H6    6   0.217479   0.242469  -0.091546
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-    6
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-    1SOL     H6    6   0.213639   0.154508   0.248828
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.084994  -0.249653  -0.141128
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-    6
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-    6
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-    1SOL     H5    5  -0.208357  -0.110021  -0.196389
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-    6
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-    1SOL     H5    5  -0.163573   0.255251  -0.201290
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-    6
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-    0SOL     H2    2  -0.038836   0.057434  -0.065996
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-    1SOL     O4    4   0.161688   0.158205   0.165770
-    1SOL     H5    5   0.115710   0.218519   0.224170
-    1SOL     H6    6   0.095586   0.131623   0.101847
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-    6
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-    0SOL     H2    2   0.042385  -0.073923  -0.043604
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-    6
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-    0SOL     H2    2  -0.057332  -0.056387   0.051923
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    1SOL     H5    5   0.120644  -0.146226  -0.213032
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-    6
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-    0SOL     H2    2  -0.052201   0.030084   0.074380
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.122947   0.087074   0.223367
-    1SOL     H6    6  -0.125004   0.211428   0.137049
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-    6
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-    1SOL     O4    4  -0.021049   0.009387   0.323909
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-    6
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-    1SOL     O4    4  -0.182333   0.150978  -0.145111
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-    1SOL     H6    6  -0.126503   0.196057  -0.081761
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H6    6   0.196458  -0.260356  -0.140995
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    0SOL     H2    2   0.035015   0.029466  -0.084071
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.401815   0.073272  -0.108020
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    0SOL     H2    2   0.021495   0.089306  -0.026922
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013448  -0.078435  -0.053192
-    0SOL     H3    3   0.031417  -0.024374   0.087070
-    1SOL     O4    4   0.014560  -0.127592  -0.231114
-    1SOL     H5    5   0.101385  -0.091300  -0.248629
-    1SOL     H6    6  -0.046218  -0.061124  -0.263521
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/586/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094187   0.016265   0.005157
-    0SOL     H3    3  -0.023183   0.021652  -0.090311
-    1SOL     O4    4  -0.128683   0.217160   0.107461
-    1SOL     H5    5  -0.074913   0.146094   0.072521
-    1SOL     H6    6  -0.202555   0.223362   0.046907
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/587/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063962   0.070336  -0.011138
-    0SOL     H3    3   0.084282   0.044957   0.006143
-    1SOL     O4    4  -0.160336   0.019581   0.292088
-    1SOL     H5    5  -0.073140   0.011525   0.253431
-    1SOL     H6    6  -0.143971   0.038278   0.384527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/588/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056526  -0.019181  -0.074828
-    0SOL     H3    3   0.059383   0.034356   0.066751
-    1SOL     O4    4  -0.104011   0.262182  -0.165569
-    1SOL     H5    5  -0.084794   0.352749  -0.189876
-    1SOL     H6    6  -0.035641   0.210780  -0.208531
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/589/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.039602  -0.086677   0.009006
-    0SOL     H3    3   0.074129  -0.013500  -0.059034
-    1SOL     O4    4   0.066106   0.305481   0.080124
-    1SOL     H5    5   0.128636   0.236032   0.100840
-    1SOL     H6    6  -0.019685   0.265868   0.095389
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/590/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022741  -0.037814   0.084943
-    0SOL     H3    3   0.095561  -0.004341  -0.003392
-    1SOL     O4    4  -0.168673   0.044839   0.243934
-    1SOL     H5    5  -0.163435  -0.007957   0.323605
-    1SOL     H6    6  -0.111115   0.119446   0.260757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/591/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078955   0.051062   0.017921
-    0SOL     H3    3   0.023704  -0.038022   0.084586
-    1SOL     O4    4   0.256967  -0.079324   0.174165
-    1SOL     H5    5   0.278269  -0.128775   0.253305
-    1SOL     H6    6   0.200333  -0.008442   0.204674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/592/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032467   0.076877   0.046885
-    0SOL     H3    3   0.073816  -0.060938  -0.000192
-    1SOL     O4    4  -0.233033  -0.181312   0.017509
-    1SOL     H5    5  -0.204882  -0.132516  -0.059878
-    1SOL     H6    6  -0.208405  -0.125554   0.091311
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/593/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003320   0.031835  -0.090210
-    0SOL     H3    3   0.004788  -0.095237  -0.008321
-    1SOL     O4    4   0.244709   0.050975   0.069122
-    1SOL     H5    5   0.295366  -0.019844   0.029362
-    1SOL     H6    6   0.156562   0.040463   0.033316
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/594/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071874  -0.021490  -0.059453
-    0SOL     H3    3   0.078100  -0.034416  -0.043338
-    1SOL     O4    4   0.226981  -0.058513  -0.103017
-    1SOL     H5    5   0.223440   0.013883  -0.165536
-    1SOL     H6    6   0.225314  -0.137276  -0.157385
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/595/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020699   0.093349   0.004454
-    0SOL     H3    3  -0.009063  -0.030919   0.090134
-    1SOL     O4    4   0.239177  -0.094043   0.008111
-    1SOL     H5    5   0.167834  -0.030232   0.007389
-    1SOL     H6    6   0.316698  -0.043105   0.031735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/596/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090913   0.003476   0.029750
-    0SOL     H3    3   0.043832   0.069876   0.048565
-    1SOL     O4    4  -0.227949  -0.090406  -0.165745
-    1SOL     H5    5  -0.261619  -0.065845  -0.079574
-    1SOL     H6    6  -0.226533  -0.186109  -0.164573
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/597/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.088187   0.023666   0.028728
-    0SOL     H3    3   0.008654  -0.089512  -0.032788
-    1SOL     O4    4  -0.165692   0.231785  -0.034221
-    1SOL     H5    5  -0.071001   0.217905  -0.032440
-    1SOL     H6    6  -0.198542   0.165396  -0.094848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/598/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010269  -0.077998   0.054527
-    0SOL     H3    3   0.073575  -0.020555  -0.057676
-    1SOL     O4    4   0.147093  -0.096297  -0.236753
-    1SOL     H5    5   0.155131  -0.069641  -0.328335
-    1SOL     H6    6   0.237362  -0.102198  -0.205464
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/IceVII/VII/599/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024371   0.003230  -0.092509
-    0SOL     H3    3  -0.014004   0.089248   0.031638
-    1SOL     O4    4   0.152190  -0.018174  -0.275311
-    1SOL     H5    5   0.163464  -0.059596  -0.189757
-    1SOL     H6    6   0.227276  -0.048136  -0.326563
-  3.000000   3.000000   3.000000

From 0e9a701d3304b162ac272c00303750fc747e8d85 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Fri, 6 Mar 2026 17:53:10 +1100
Subject: [PATCH 66/76] tidy tests a bit

---
 src/tests/test_smirnoffio.py | 22 +++-------------------
 src/tests/test_system.py     | 13 +++++++------
 2 files changed, 10 insertions(+), 25 deletions(-)

diff --git a/src/tests/test_smirnoffio.py b/src/tests/test_smirnoffio.py
index c9e74e7df..b190edc0e 100644
--- a/src/tests/test_smirnoffio.py
+++ b/src/tests/test_smirnoffio.py
@@ -14,7 +14,7 @@
 @pytest.mark.skipif(
     not has_openff_toolkit, reason="openff.toolkit module not found"
 )
-def _build_virtual_site_force_field(include_incomplete=False):
+def _build_virtual_site_force_field():
     force_field = ForceField()
     vsite_handler = VirtualSiteHandler(version=0.3)
 
@@ -44,23 +44,6 @@ def _build_virtual_site_force_field(include_incomplete=False):
             ],
         }
     )
-
-    if include_incomplete:
-        vsite_handler.add_parameter(
-            {
-                "smirks": "[#1:1]-[#17:2]",
-                "name": "EP3",
-                "type": "BondCharge",
-                "distance": 0.30 * unit.nanometers,
-                "match": "all_permutations",
-                "charge_increment": [
-                    0.0 * unit.elementary_charge,
-                    0.0 * unit.elementary_charge,
-                ],
-            }
-        )
-        vsite_handler.parameters[-1].match = None
-
     force_field.register_parameter_handler(vsite_handler)
     return force_field
 
@@ -86,7 +69,7 @@ def test_select_virtual_site_parameter_requires_non_none_identifiers():
     not has_openff_toolkit, reason="openff.toolkit module not found"
 )
 def test_select_virtual_site_parameter_selects_unique_match():
-    force_field = _build_virtual_site_force_field(include_incomplete=True)
+    force_field = _build_virtual_site_force_field()
 
     parameter = select_virtual_site_parameter(
         parameters=force_field.get_parameter_handler("VirtualSites").parameters,
@@ -137,6 +120,7 @@ def test_select_virtual_site_parameter_raises_for_ambiguous_match():
     not has_openff_toolkit, reason="openff.toolkit module not found"
 )
 def test_assign_openff_parameter_virtual_site_pid_disambiguation():
+    """Check assignment works ok"""
     force_field = ForceField()
     vsite_handler = force_field.get_parameter_handler("VirtualSites")
 
diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 025664c9f..0eaf9e757 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -63,6 +63,7 @@
 EXPECTED_RECHARGE_METHANE_ESP_GRADIENT = array([9.76931016e-03])
 EXPECTED_RECHARGE_METHANE_FIELD_GRADIENT = array([1.12071584e-02])
 
+# in practice these aren't hit, we don't simulate nearly long enough
 EXPECTED_VSITE_VDW_PARAMETERS = array([
     # CX4 epsilon, sigma
     0.1088406109251, 3.3795317616266205,
@@ -75,12 +76,12 @@
 
 class ForceBalanceSystemTest(ForceBalanceTestCase):
     def teardown_method(self):
-        # for fnm in [self.input_file.replace('.in','.sav')]:
-        #     if os.path.exists(fnm):
-        #         os.remove(fnm)
-        # for dnm in [self.input_file.replace('.in','.bak'), self.input_file.replace('.in','.tmp'), "result"]:
-        #     if os.path.exists(dnm):
-        #         shutil.rmtree(dnm)
+        for fnm in [self.input_file.replace('.in','.sav')]:
+            if os.path.exists(fnm):
+                os.remove(fnm)
+        for dnm in [self.input_file.replace('.in','.bak'), self.input_file.replace('.in','.tmp'), "result"]:
+            if os.path.exists(dnm):
+                shutil.rmtree(dnm)
         super(ForceBalanceSystemTest, self).teardown_method()
         
     def get_objective(self):

From 12309cd3722699c733f61dbf3b060b8bac00935b Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Fri, 6 Mar 2026 17:56:29 +1100
Subject: [PATCH 67/76] more tidying

---
 src/tests/test_system.py | 6 ------
 1 file changed, 6 deletions(-)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 0eaf9e757..8063f3748 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -31,12 +31,6 @@
 # expected gradient elements from 003d evaluator bromine study. Very large uncertainties of +/- 2000 (updated 11/23/19)
 EXPECTED_EVALUATOR_BROMINE_GRADIENT = array([4500, 5500])
 
-# expected objective function from 028 evaluator water vsite study. Update after first run.
-EXPECTED_EVALUATOR_WATER_VSITE_OBJECTIVE = array([0])
-
-# expected gradient elements from 028 evaluator water vsite study (3 vsite params). Update after first run.
-EXPECTED_EVALUATOR_WATER_VSITE_GRADIENT = array([0, 0, 0])
-
 # expected objective values from 029 cross-engine consistency study. Update after first run.
 EXPECTED_TIP4P_OBJECTIVE = array([0.473572])
 EXPECTED_TIP5P_OBJECTIVE = array([0.360085])

From 36c3ba0fa421aecdced4c95c2a0d7aac99b30579 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Fri, 6 Mar 2026 18:02:40 +1100
Subject: [PATCH 68/76] update script to be accurate

---
 .../forcefield/force-field.offxml             | 759 ++++++++++--------
 .../generate-4-site-input-forcefield.py       |   4 +-
 2 files changed, 428 insertions(+), 335 deletions(-)

diff --git a/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml b/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml
index 15c559384..274dc3755 100644
--- a/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml
+++ b/studies/028_smirnoff_tip4p_geometry_fit/forcefield/force-field.offxml
@@ -1,367 +1,460 @@
 <?xml version="1.0" encoding="utf-8"?>
 <SMIRNOFF version="0.3" aromaticity_model="OEAroModel_MDL">
     <Author>The Open Force Field Initiative</Author>
-    <Date>2024-09-11</Date>
+    <Date>2026-01-02</Date>
     <Constraints version="0.3">
         <Constraint smirks="[#1:1]-[*:2]" id="c1"></Constraint>
         <Constraint smirks="[#1:1]-[#8X2H2+0:2]-[#1]" id="c-tip4p-fb-H-O" distance="0.09572 * nanometer ** 1"></Constraint>
         <Constraint smirks="[#1:1]-[#8X2H2+0]-[#1:2]" id="c-tip4p-fb-H-O-H" distance="0.15139006545247014 * nanometer ** 1"></Constraint>
     </Constraints>
     <Bonds version="0.4" potential="harmonic" fractional_bondorder_method="AM1-Wiberg" fractional_bondorder_interpolation="linear">
-        <Bond smirks="[#6X4:1]-[#6X4:2]" id="b1" length="1.533682189836 * angstrom ** 1" k="430.4753865522 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X4:1]-[#6X3:2]" id="b2" length="1.509906088505 * angstrom ** 1" k="478.5938624291 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X4:1]-[#6X3:2]=[#8X1+0]" id="b3" length="1.529107327625 * angstrom ** 1" k="404.5865966221 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1]-[#6X3:2]" id="b4" length="1.467813669186 * angstrom ** 1" k="534.9004011769 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1]:[#6X3:2]" id="b5" length="1.400774190845 * angstrom ** 1" k="753.9544105052 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1]=[#6X3:2]" id="b6" length="1.373322617043 * angstrom ** 1" k="904.1364741993 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6:1]-[#7:2]" id="b7" length="1.477165026987 * angstrom ** 1" k="451.7828325538 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1]-[#7X3:2]" id="b8" length="1.389594660959 * angstrom ** 1" k="658.1801467822 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X4:1]-[#7X3:2]-[#6X3]=[#8X1+0]" id="b9" length="1.462245031202 * angstrom ** 1" k="482.1993321972 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1](=[#8X1+0])-[#7X3:2]" id="b10" length="1.383769967656 * angstrom ** 1" k="653.6221669084 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1]-[#7X2:2]" id="b11" length="1.386672489657 * angstrom ** 1" k="591.2548047458 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1]:[#7X2,#7X3+1:2]" id="b12" length="1.33886585269 * angstrom ** 1" k="774.2142430322 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1]=[#7X2,#7X3+1:2]" id="b13" length="1.309432162522 * angstrom ** 1" k="1010.077064463 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1](~!@[#7X3])(~!@[#7X3])~!@[#7X3:2]" id="b13a" length="1.304468222569 * angstrom ** 1" k="1171.510786135 * angstrom ** -2 * kilocalorie ** 1 * mole ** -1"></Bond>
-        <Bond smirks="[#6:1]-[#8:2]" id="b14" length="1.426266491513 * angstrom ** 1" k="517.8617699655 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1]-[#8X1-1:2]" id="b15" length="1.277699358105 * angstrom ** 1" k="1088.638846712 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X4:1]-[#8X2H0:2]" id="b16" length="1.436180856692 * angstrom ** 1" k="454.1320522181 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1]-[#8X2:2]" id="b17" length="1.363426903656 * angstrom ** 1" k="587.3836433911 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1]-[#8X2H1:2]" id="b18" length="1.360244387751 * angstrom ** 1" k="693.0598968819 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3a:1]-[#8X2H0:2]" id="b19" length="1.372247415038 * angstrom ** 1" k="637.4545605882 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1](=[#8X1])-[#8X2H0:2]" id="b20" length="1.356044214791 * angstrom ** 1" k="582.6874028895 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6:1]=[#8X1+0,#8X2+1:2]" id="b21" length="1.224819310402 * angstrom ** 1" k="1523.990238252 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1](~[#8X1])~[#8X1:2]" id="b22" length="1.260025492548 * angstrom ** 1" k="1181.508839358 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X3:1]~[#8X2+1:2]~[#6X3]" id="b23" length="1.3571444823426182 * angstrom ** 1" k="609.7328918443294 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X2:1]-[#6:2]" id="b24" length="1.430850833679 * angstrom ** 1" k="660.0008043418 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X2:1]-[#6X4:2]" id="b25" length="1.461040257452 * angstrom ** 1" k="600.1706615503 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X2:1]=[#6X3:2]" id="b26" length="1.313765162018 * angstrom ** 1" k="1338.466319779 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6:1]#[#7:2]" id="b27" length="1.166317608085 * angstrom ** 1" k="2660.941283692 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
-        <Bond smirks="[#6X2:1]#[#6X2:2]" id="b28" length="1.214255538934 * angstrom ** 1" k="2324.410781424 * angstrom ** -2 * kilocalorie_per_mole ** 1"></Bond>
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+        <Angle smirks="[#6,#7,#8:1]-[#7X3:2](~[#8X1])~[#8X1:3]" angle="117.9064094333 * degree ** 1" k="100.510792811 * kilocalorie_per_mole ** 1 * radian ** -2" id="a25"></Angle>
+        <Angle smirks="[#8X1:1]~[#7X3:2]~[#8X1:3]" angle="125.9537861133 * degree ** 1" k="183.5057933527 * kilocalorie_per_mole ** 1 * radian ** -2" id="a26"></Angle>
+        <Angle smirks="[*:1]~[#7X2:2]~[#7X1:3]" angle="180.0 * degree ** 1" k="126.7140824264 * kilocalorie_per_mole ** 1 * radian ** -2" id="a27"></Angle>
+        <Angle smirks="[*:1]-[#8:2]-[*:3]" angle="115.4457499753 * degree ** 1" k="239.1104681642 * kilocalorie_per_mole ** 1 * radian ** -2" id="a28"></Angle>
+        <Angle smirks="[#1:1]-[#8:2]-[*:3]" angle="108.6776125931 * degree ** 1" k="208.3323698809 * kilocalorie_per_mole ** 1 * radian ** -2" id="a28a"></Angle>
+        <Angle smirks="[#6X3,#7:1]~;@[#8;r:2]~;@[#6X3,#7:3]" angle="116.8929046215 * degree ** 1" k="312.8164758024 * kilocalorie_per_mole ** 1 * radian ** -2" id="a29"></Angle>
+        <Angle smirks="[*:1]-[#8X2+1:2]=[*:3]" angle="125.4452215834 * degree ** 1" k="291.2646027814 * kilocalorie_per_mole ** 1 * radian ** -2" id="a30"></Angle>
+        <Angle smirks="[*:1]~[#16X4:2]~[*:3]" angle="118.4530467344 * degree ** 1" k="112.7763574117 * kilocalorie_per_mole ** 1 * radian ** -2" id="a31"></Angle>
+        <Angle smirks="[*:1]-[#16X4,#16X3+0:2]~[*:3]" angle="108.4380780897 * degree ** 1" k="113.1947438197 * kilocalorie_per_mole ** 1 * radian ** -2" id="a32"></Angle>
+        <Angle smirks="[#8X1:1]~[#16X4:2](~[#8X1,#7X2])~[#8X1:3]" angle="114.1391334584 * degree ** 1" k="252.3833136503 * kilocalorie_per_mole ** 1 * radian ** -2" id="a42"></Angle>
+        <Angle smirks="[*:1]~[#16X3$(*~[#8X1,#7X2]):2]~[*:3]" angle="109.9453007624 * degree ** 1" k="241.4899583342 * kilocalorie_per_mole ** 1 * radian ** -2" id="a33"></Angle>
+        <Angle smirks="[*:1]~[#16X3:2](~[#8X1,#7X2])~[*:3]" angle="95.03491144647066 * degree ** 1" k="288.6205961550233 * kilocalorie_per_mole ** 1 * radian ** -2" id="a33a"></Angle>
+        <Angle smirks="[*:1]~[#16X2,#16X3+1:2]~[*:3]" angle="102.1336932146 * degree ** 1" k="241.9064534809 * kilocalorie_per_mole ** 1 * radian ** -2" id="a34"></Angle>
         <Angle smirks="[*:1]=[#16X2:2]=[*:3]" angle="180.0 * degree ** 1" k="140.0 * kilocalorie ** 1 * mole ** -1 * radian ** -2" id="a35"></Angle>
-        <Angle smirks="[*:1]=[#16X2:2]=[#8:3]" angle="112.6164646730111 * degree ** 1" k="259.32893235640387 * kilocalorie_per_mole ** 1 * radian ** -2" id="a36"></Angle>
-        <Angle smirks="[#6X3:1]-[#16X2:2]-[#6X3:3]" angle="91.29240819333 * degree ** 1" k="217.9549363893 * kilocalorie_per_mole ** 1 * radian ** -2" id="a37"></Angle>
-        <Angle smirks="[#6X3:1]-[#16X2:2]-[#6X4:3]" angle="101.8502222373 * degree ** 1" k="350.2066166388 * kilocalorie_per_mole ** 1 * radian ** -2" id="a38"></Angle>
-        <Angle smirks="[#6X3:1]-[#16X2:2]-[#1:3]" angle="94.63983748334 * degree ** 1" k="170.9519157743 * kilocalorie_per_mole ** 1 * radian ** -2" id="a39"></Angle>
-        <Angle smirks="[*:1]~[#15:2]~[*:3]" angle="108.9068195211 * degree ** 1" k="179.6718229837 * kilocalorie_per_mole ** 1 * radian ** -2" id="a40"></Angle>
-        <Angle smirks="[*;r5:1]1@[*;r5:2]@[*;r5:3]@[*;r5]@[*;r5]1" angle="108.1330922927 * degree ** 1" k="181.7481750351 * kilocalorie_per_mole ** 1 * radian ** -2" id="a41"></Angle>
-        <Angle smirks="[*;r5:1]1@[#16;r5:2]@[*;r5:3]@[*;r5]@[*;r5]1" angle="90.69637664455 * degree ** 1" k="298.9224379032 * kilocalorie_per_mole ** 1 * radian ** -2" id="a41a"></Angle>
-        <Angle smirks="[*;r3:1]1~;@[*;r3:2]~;@[*;r3:3]1" angle="59.99607663684 * degree ** 1" k="111.0172352534 * kilocalorie_per_mole ** 1 * radian ** -2" id="a3"></Angle>
+        <Angle smirks="[*:1]=[#16X2:2]=[#8:3]" angle="105.420837148 * degree ** 1" k="246.254123218 * kilocalorie_per_mole ** 1 * radian ** -2" id="a36"></Angle>
+        <Angle smirks="[#6X3:1]-[#16X2:2]-[#6X3:3]" angle="102.8046626174 * degree ** 1" k="362.5063456491 * kilocalorie_per_mole ** 1 * radian ** -2" id="a37"></Angle>
+        <Angle smirks="[#6X3:1]-[#16X2:2]-[#6X4:3]" angle="101.5289914983 * degree ** 1" k="291.5933898423 * kilocalorie_per_mole ** 1 * radian ** -2" id="a38"></Angle>
+        <Angle smirks="[#6X3:1]-[#16X2:2]-[#1:3]" angle="93.75621724585 * degree ** 1" k="203.4790497712 * kilocalorie_per_mole ** 1 * radian ** -2" id="a39"></Angle>
+        <Angle smirks="[*:1]~[#15:2]~[*:3]" angle="109.089612865 * degree ** 1" k="156.7252153268 * kilocalorie_per_mole ** 1 * radian ** -2" id="a40"></Angle>
+        <Angle smirks="[*;r5:1]1@[*;r5:2]@[*;r5:3]@[*;r5]@[*;r5]~1" angle="110.1313445266 * degree ** 1" k="185.7322475633 * kilocalorie_per_mole ** 1 * radian ** -2" id="a41"></Angle>
+        <Angle smirks="[*;r5:1]1@[#16;r5:2]@[*;r5:3]@[*;r5]@[*;r5]~1" angle="96.64796687325 * degree ** 1" k="345.5655733374 * kilocalorie_per_mole ** 1 * radian ** -2" id="a41a"></Angle>
+        <Angle smirks="[#6r4:1]1-;@[#6r4:2]-;@[#6r4:3]~[*]~1" angle="87.45923658469 * degree ** 1" k="141.9439126263 * kilocalorie_per_mole ** 1 * radian ** -2" id="a7"></Angle>
+        <Angle smirks="[!#1:1]-[#6r4:2]-;!@[!#1:3]" angle="113.4998130436 * degree ** 1" k="137.1330380811 * kilocalorie_per_mole ** 1 * radian ** -2" id="a8"></Angle>
+        <Angle smirks="[!#1:1]-[#6r4:2]-;!@[#1:3]" angle="112.2988455226 * degree ** 1" k="39.76368310604 * kilocalorie_per_mole ** 1 * radian ** -2" id="a9"></Angle>
+        <Angle smirks="[*:1]@-[r5;#7X4,#7X3,#7X2-1:2]@-[*:3]" angle="115.6723392752 * degree ** 1" k="111.4941952546 * kilocalorie_per_mole ** 1 * radian ** -2" id="a18a"></Angle>
+        <Angle smirks="[*;r6:1]~;@[*;r5:2]~;@[*;r5;x2:3]" angle="120.6933149502 * degree ** 1" k="37.96758984343 * kilocalorie_per_mole ** 1 * radian ** -2" id="a13"></Angle>
+        <Angle smirks="[*;r3:1]1~;@[*;r3:2]~;@[*;r3:3]~1" angle="63.10051026154 * degree ** 1" k="21.51070336077 * kilocalorie_per_mole ** 1 * radian ** -2" id="a3"></Angle>
+        <Angle smirks="[*;r3:1]~;@[*;r3:2]~;!@[*:3]" angle="117.1346124012 * degree ** 1" k="81.09594593108 * kilocalorie_per_mole ** 1 * radian ** -2" id="a4"></Angle>
+        <Angle smirks="[*:1]~;!@[*;r3:2]~;!@[*:3]" angle="115.4827064255 * degree ** 1" k="79.47504439124 * kilocalorie_per_mole ** 1 * radian ** -2" id="a5"></Angle>
+        <Angle smirks="[#1:1]-[*;r3:2]~;!@[*:3]" angle="115.8051548637 * degree ** 1" k="33.97669459012 * kilocalorie_per_mole ** 1 * radian ** -2" id="a6"></Angle>
+        <Angle smirks="[*;r3:1]~;@[#6X3;r3:2]~;!@[*:3]" angle="148.02847491956018 * degree ** 1" k="63.57130368852825 * kilocalorie_per_mole ** 1 * radian ** -2" id="a4a"></Angle>
+        <Angle smirks="[r4:1]1-;@[r4:2]-;@[r4:3]~[*]~1" angle="93.06443593559 * degree ** 1" k="295.3177414095 * kilocalorie_per_mole ** 1 * radian ** -2" id="a7a"></Angle>
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-        <Proper smirks="[#6X4:1]-[#6X4:2]-[#6X4:3]-[#6X4:4]" periodicity1="3" periodicity2="2" periodicity3="1" phase1="0.0 * degree ** 1" phase2="180.0 * degree ** 1" phase3="180.0 * degree ** 1" id="t2" k1="0.4237564743837 * kilocalorie ** 1 * mole ** -1" k2="0.2203586562011 * kilocalorie ** 1 * mole ** -1" k3="0.974718587694 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
-        <Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#1:4]" periodicity1="3" phase1="0.0 * degree ** 1" id="t3" k1="0.2390393844711 * kilocalorie ** 1 * mole ** -1" idivf1="1.0"></Proper>
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-        <Proper smirks="[#8X2:1]-[#6X4:2]-[#6X4:3]-[#8X2:4]" periodicity1="3" periodicity2="2" phase1="0.0 * degree ** 1" phase2="0.0 * degree ** 1" id="t5" k1="-0.05405491043661 * kilocalorie ** 1 * mole ** -1" k2="0.4214443354415 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
-        <Proper smirks="[#9:1]-[#6X4:2]-[#6X4:3]-[#9:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree ** 1" phase2="180.0 * degree ** 1" id="t6" k1="0.07205453448199 * kilocalorie ** 1 * mole ** -1" k2="-0.1944147116906 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
-        <Proper smirks="[#17:1]-[#6X4:2]-[#6X4:3]-[#17:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree ** 1" phase2="180.0 * degree ** 1" id="t7" k1="0.6312732883552 * kilocalorie ** 1 * mole ** -1" k2="-1.407167649148 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
-        <Proper smirks="[#35:1]-[#6X4:2]-[#6X4:3]-[#35:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree ** 1" phase2="180.0 * degree ** 1" id="t8" k1="1.078052395108 * kilocalorie ** 1 * mole ** -1" k2="-0.1058809959451 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
-        <Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#8X2:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree ** 1" phase2="0.0 * degree ** 1" id="t9" k1="0.1455721298031 * kilocalorie ** 1 * mole ** -1" k2="0.4985440816151 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
-        <Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#9:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree ** 1" phase2="0.0 * degree ** 1" id="t10" k1="0.09388647854437 * kilocalorie ** 1 * mole ** -1" k2="0.4538593748781 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
-        <Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#17:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree ** 1" phase2="0.0 * degree ** 1" id="t11" k1="0.2373106241921 * kilocalorie ** 1 * mole ** -1" k2="0.7325729971954 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
-        <Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#35:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree ** 1" phase2="0.0 * degree ** 1" id="t12" k1="0.1338552866344 * kilocalorie ** 1 * mole ** -1" k2="0.6076851605113 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
-        <Proper smirks="[*:1]-[#6X4:2]-[#6X4;r3:3]-[*:4]" periodicity1="1" phase1="0.0 * degree ** 1" id="t13" k1="1.727703981075 * kilocalorie ** 1 * mole ** -1" idivf1="1.0"></Proper>
-        <Proper smirks="[*:1]-[#6X4:2]-[#6X4;r3:3]-[#6X4;r3:4]" periodicity1="3" phase1="0.0 * degree ** 1" id="t14" k1="0.4337956418471 * kilocalorie ** 1 * mole ** -1" idivf1="1.0"></Proper>
-        <Proper smirks="[*:1]-[#6X4;r3:2]-@[#6X4;r3:3]-[*:4]" periodicity1="2" phase1="0.0 * degree ** 1" id="t15" k1="-2.743657257903 * kilocalorie ** 1 * mole ** -1" idivf1="1.0"></Proper>
-        <Proper smirks="[#6X4;r3:1]-[#6X4;r3:2]-[#6X4;r3:3]-[*:4]" periodicity1="2" periodicity2="1" phase1="0.0 * degree ** 1" phase2="0.0 * degree ** 1" id="t16" k1="-0.5830842991582 * kilocalorie ** 1 * mole ** -1" k2="4.680796911719 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
-        <Proper smirks="[*:1]~[#6X3:2]-[#6X4:3]-[*:4]" periodicity1="3" phase1="0.0 * degree ** 1" id="t17" k1="0.2172538452775 * kilocalorie ** 1 * mole ** -1" idivf1="1.0"></Proper>
-        <Proper smirks="[*:1]-[#6X4:2]-[#6X3:3]=[*:4]" periodicity1="2" phase1="0.0 * degree ** 1" id="t18" k1="-0.458957400131 * kilocalorie ** 1 * mole ** -1" idivf1="1.0"></Proper>
-        <Proper smirks="[*:1]-[#6X4:2]-[#6X3:3](~[#8X1])~[#8X1:4]" periodicity1="2" phase1="0.0 * degree ** 1" id="t18a" k1="-0.2045307565273 * kilocalorie ** 1 * mole ** -1" idivf1="1.0"></Proper>
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-        <Proper smirks="[#1:1]-[#6X4:2]-[#6X3:3](~[#8X1])~[#8X1:4]" periodicity1="1" periodicity2="2" periodicity3="3" phase1="0.0 * degree ** 1" phase2="0.0 * degree ** 1" phase3="180.0 * degree ** 1" id="t19a" k1="-0.05752542044084 * kilocalorie ** 1 * mole ** -1" k2="0.3423737582396 * kilocalorie ** 1 * mole ** -1" k3="0.2544090180879 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
-        <Proper smirks="[#1:1]-[#6X4:2]-[#6X3:3]=[#6X3:4]" periodicity1="3" periodicity2="1" phase1="180.0 * degree ** 1" phase2="0.0 * degree ** 1" id="t20" k1="0.2427642411458 * kilocalorie ** 1 * mole ** -1" k2="0.1842433198158 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
-        <Proper smirks="[#6X3:1]-[#6X4:2]-[#6X3:3]=[#6X3:4]" periodicity1="3" periodicity2="2" phase1="0.0 * degree ** 1" phase2="180.0 * degree ** 1" id="t21" k1="-0.1504047723934 * kilocalorie ** 1 * mole ** -1" k2="0.521473125288 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
-        <Proper smirks="[#7X3:1]-[#6X4:2]-[#6X3:3]-[#7X3:4]" periodicity1="1" periodicity2="2" phase1="180.0 * degree ** 1" phase2="180.0 * degree ** 1" id="t22" k1="-0.4432924282192 * kilocalorie ** 1 * mole ** -1" k2="0.5490193236155 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
-        <Proper smirks="[#6X4:1]-[#6X4:2]-[#6X3:3]-[#7X3:4]" periodicity1="4" periodicity2="2" phase1="0.0 * degree ** 1" phase2="0.0 * degree ** 1" id="t23" k1="-0.2953560374034 * kilocalorie ** 1 * mole ** -1" k2="0.2922622555403 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
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-        <Proper smirks="[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X4,#7X3:4]" periodicity1="4" periodicity2="3" periodicity3="2" periodicity4="2" periodicity5="1" phase1="0.0 * degree ** 1" phase2="0.0 * degree ** 1" phase3="0.0 * degree ** 1" phase4="270.0 * degree ** 1" phase5="90.0 * degree ** 1" id="t25" k1="-0.171379176833 * kilocalorie ** 1 * mole ** -1" k2="-0.3167708487189 * kilocalorie ** 1 * mole ** -1" k3="-0.5916314957543 * kilocalorie ** 1 * mole ** -1" k4="-0.01509680569559 * kilocalorie ** 1 * mole ** -1" k5="0.08677135962882 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0" idivf3="1.0" idivf4="1.0" idivf5="1.0"></Proper>
-        <Proper smirks="[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X3$(*-[#6X3,#6X2]):4]" periodicity1="4" periodicity2="3" periodicity3="2" periodicity4="2" periodicity5="1" periodicity6="1" phase1="270.0 * degree ** 1" phase2="0.0 * degree ** 1" phase3="180.0 * degree ** 1" phase4="270.0 * degree ** 1" phase5="270.0 * degree ** 1" phase6="0.0 * degree ** 1" id="t26" k1="0.1360690138462 * kilocalorie ** 1 * mole ** -1" k2="0.02664064679363 * kilocalorie ** 1 * mole ** -1" k3="0.8008848233681 * kilocalorie ** 1 * mole ** -1" k4="-0.1269241749199 * kilocalorie ** 1 * mole ** -1" k5="-0.1037082158918 * kilocalorie ** 1 * mole ** -1" k6="-0.5786050420045 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0" idivf3="1.0" idivf4="1.0" idivf5="1.0" idivf6="1.0"></Proper>
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+        <Proper smirks="[#6X4:1]-[#8X2:2]-[#6X4:3]-[#7X3:4]" periodicity1="3" periodicity2="2" phase1="0.0 * degree ** 1" phase2="0.0 * degree ** 1" id="t99" k1="0.3833091758542 * kilocalorie ** 1 * mole ** -1" k2="1.020955202211 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0"></Proper>
+        <Proper smirks="[#6X3:1]-[#8X2:2]-[#6X4;r3:3]-@[#6X4;r3:4]" periodicity1="1" phase1="0.0 * degree ** 1" id="t100" k1="-0.3278434128424 * kilocalorie ** 1 * mole ** -1" idivf1="1.0"></Proper>
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+        <Proper smirks="[#1:1]-[#8X2:2]-[#6X4;r3:3]-[#6X4:4]" periodicity1="3" periodicity2="2" periodicity3="1" phase1="0.0 * degree ** 1" phase2="0.0 * degree ** 1" phase3="0.0 * degree ** 1" id="t103" k1="0.5552890073248 * kilocalorie ** 1 * mole ** -1" k2="-0.2684255553166 * kilocalorie ** 1 * mole ** -1" k3="-0.2529225927881 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
+        <Proper smirks="[#1:1]-[#8X2:2]-[#6X4;r3:3]-[#6X4;r3:4]" periodicity1="3" periodicity2="2" periodicity3="1" phase1="0.0 * degree ** 1" phase2="0.0 * degree ** 1" phase3="0.0 * degree ** 1" id="t104" k1="0.3065417991148 * kilocalorie ** 1 * mole ** -1" k2="0.7864549072669 * kilocalorie ** 1 * mole ** -1" k3="0.04867985409921 * kilocalorie ** 1 * mole ** -1" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
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+        <Proper smirks="[#6X3:1]-@[#16X1-1:2]-@[#6X3;r5:3]=@[#6,#7;r5:4]" periodicity1="2" phase1="180.0 * degree ** 1" id="t117b" k1="8.980846475502 * kilocalorie ** 1 * mole ** -1" idivf1="1.0"></Proper>
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+        <Improper smirks="[*:1]~[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree ** 1" k1="12.27320247902 * kilocalorie ** 1 * mole ** -1" id="i6"></Improper>
+        <Improper smirks="[*:1]~[#6X3:2](=[#7X2,#7X3+1:3])~[#7:4]" periodicity1="2" phase1="180.0 * degree ** 1" k1="7.735151117006 * kilocalorie ** 1 * mole ** -1" id="i7"></Improper>
     </ImproperTorsions>
     <vdW version="0.4" potential="Lennard-Jones-12-6" combining_rules="Lorentz-Berthelot" scale12="0.0" scale13="0.0" scale14="0.5" scale15="1.0" cutoff="9.0 * angstrom ** 1" switch_width="1.0 * angstrom ** 1" periodic_method="cutoff" nonperiodic_method="no-cutoff">
         <Atom smirks="[#1:1]" epsilon="0.0157 * kilocalorie ** 1 * mole ** -1" id="n1" rmin_half="0.6 * angstrom ** 1"></Atom>
-        <Atom smirks="[#1:1]-[#6X4]" epsilon="0.01577948280971 * kilocalorie ** 1 * mole ** -1" id="n2" rmin_half="1.48419980825 * angstrom ** 1"></Atom>
-        <Atom smirks="[#1:1]-[#6X4]-[#7,#8,#9,#16,#17,#35]" epsilon="0.01640924602775 * kilocalorie ** 1 * mole ** -1" id="n3" rmin_half="1.449786411317 * angstrom ** 1"></Atom>
-        <Atom smirks="[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]" epsilon="0.0157 * kilocalorie ** 1 * mole ** -1" id="n4" rmin_half="1.287 * angstrom ** 1"></Atom>
-        <Atom smirks="[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])(-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]" epsilon="0.0157 * kilocalorie ** 1 * mole ** -1" id="n5" rmin_half="1.187 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X4]" epsilon="0.01336628116185 * kilocalorie ** 1 * mole ** -1" id="n2" rmin_half="1.495082464255 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X4]-[#7,#8,#9,#16,#17,#35]" epsilon="0.01891997418601 * kilocalorie ** 1 * mole ** -1" id="n3" rmin_half="1.435967812686 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]" epsilon="0.01559137568183 * kilocalorie ** 1 * mole ** -1" id="n4" rmin_half="1.288149753875 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])(-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]" epsilon="0.01517383637638 * kilocalorie ** 1 * mole ** -1" id="n5" rmin_half="1.188911001242 * angstrom ** 1"></Atom>
         <Atom smirks="[#1:1]-[#6X4]~[*+1,*+2]" epsilon="0.0157 * kilocalorie ** 1 * mole ** -1" id="n6" rmin_half="1.1 * angstrom ** 1"></Atom>
-        <Atom smirks="[#1:1]-[#6X3]" epsilon="0.01561134320353 * kilocalorie ** 1 * mole ** -1" id="n7" rmin_half="1.443812569645 * angstrom ** 1"></Atom>
-        <Atom smirks="[#1:1]-[#6X3]~[#7,#8,#9,#16,#17,#35]" epsilon="0.01310699839698 * kilocalorie ** 1 * mole ** -1" id="n8" rmin_half="1.377051329051 * angstrom ** 1"></Atom>
-        <Atom smirks="[#1:1]-[#6X3](~[#7,#8,#9,#16,#17,#35])~[#7,#8,#9,#16,#17,#35]" epsilon="0.01479744504464 * kilocalorie ** 1 * mole ** -1" id="n9" rmin_half="1.370482808197 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X3]" epsilon="0.01597537378736 * kilocalorie ** 1 * mole ** -1" id="n7" rmin_half="1.479065946749 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X3]~[#7,#8,#9,#16,#17,#35]" epsilon="0.01761379732429 * kilocalorie ** 1 * mole ** -1" id="n8" rmin_half="1.370805406499 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#6X3](~[#7,#8,#9,#16,#17,#35])~[#7,#8,#9,#16,#17,#35]" epsilon="0.01359601107204 * kilocalorie ** 1 * mole ** -1" id="n9" rmin_half="1.372163754664 * angstrom ** 1"></Atom>
         <Atom smirks="[#1:1]-[#6X2]" epsilon="0.015 * kilocalorie ** 1 * mole ** -1" id="n10" rmin_half="1.459 * angstrom ** 1"></Atom>
-        <Atom smirks="[#1:1]-[#7]" epsilon="0.01409081474669 * kilocalorie ** 1 * mole ** -1" id="n11" rmin_half="0.6192778454102 * angstrom ** 1"></Atom>
-        <Atom smirks="[#1:1]-[#8]" epsilon="1.232599966667e-05 * kilocalorie ** 1 * mole ** -1" id="n12" rmin_half="0.2999999999997 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#7]" epsilon="0.01386809433135 * kilocalorie ** 1 * mole ** -1" id="n11" rmin_half="0.6506218845032 * angstrom ** 1"></Atom>
+        <Atom smirks="[#1:1]-[#8]" epsilon="1.232058709465e-05 * kilocalorie ** 1 * mole ** -1" id="n12" rmin_half="0.2991902460601 * angstrom ** 1"></Atom>
         <Atom smirks="[#1:1]-[#16]" epsilon="0.0157 * kilocalorie ** 1 * mole ** -1" id="n13" rmin_half="0.6 * angstrom ** 1"></Atom>
-        <Atom smirks="[#6:1]" epsilon="0.0868793154488 * kilocalorie ** 1 * mole ** -1" id="n14" rmin_half="1.953447017081 * angstrom ** 1"></Atom>
-        <Atom smirks="[#6X2:1]" epsilon="0.21 * kilocalorie ** 1 * mole ** -1" id="n15" rmin_half="1.908 * angstrom ** 1"></Atom>
-        <Atom smirks="[#6X4:1]" epsilon="0.2088406109251 * kilocalorie ** 1 * mole ** -1" id="n16" sigma="3.4795317616266206 * angstrom ** 1" parameterize="epsilon,sigma"></Atom>
-        <Atom smirks="[#8:1]" epsilon="0.2102061007896 * kilocalorie ** 1 * mole ** -1" id="n17" rmin_half="1.706036917087 * angstrom ** 1"></Atom>
-        <Atom smirks="[#8X2H0+0:1]" epsilon="0.1684651402602 * kilocalorie ** 1 * mole ** -1" id="n18" rmin_half="1.697783613804 * angstrom ** 1"></Atom>
-        <Atom smirks="[#8X2H1+0:1]" epsilon="0.2094735324129 * kilocalorie ** 1 * mole ** -1" id="n19" rmin_half="1.682099169199 * angstrom ** 1"></Atom>
-        <Atom smirks="[#7:1]" epsilon="0.1676915150424 * kilocalorie ** 1 * mole ** -1" id="n20" rmin_half="1.799798315098 * angstrom ** 1"></Atom>
+        <Atom smirks="[#6:1]" epsilon="0.1033185743622 * kilocalorie ** 1 * mole ** -1" id="n14" rmin_half="1.95815324792 * angstrom ** 1"></Atom>
+        <Atom smirks="[#6X2:1]" epsilon="0.2681357838595 * kilocalorie ** 1 * mole ** -1" id="n15" rmin_half="1.906103098598 * angstrom ** 1"></Atom>
+        <Atom smirks="[#6X4:1]" epsilon="0.22056989193370002 * kilocalorie ** 1 * mole ** -1" id="n16" sigma="3.487971073428982 * angstrom ** 1" parameterize="epsilon,sigma"></Atom>
+        <Atom smirks="[#8:1]" epsilon="0.2245605099459 * kilocalorie ** 1 * mole ** -1" id="n17" rmin_half="1.701930728788 * angstrom ** 1"></Atom>
+        <Atom smirks="[#8X2H0+0:1]" epsilon="0.08532552033817 * kilocalorie ** 1 * mole ** -1" id="n18" rmin_half="1.702425033604 * angstrom ** 1"></Atom>
+        <Atom smirks="[#8X2H1+0:1]" epsilon="0.1353608645661 * kilocalorie ** 1 * mole ** -1" id="n19" rmin_half="1.697006198763 * angstrom ** 1"></Atom>
+        <Atom smirks="[#7:1]" epsilon="0.1025954704049 * kilocalorie ** 1 * mole ** -1" id="n20" rmin_half="1.845362249921 * angstrom ** 1"></Atom>
         <Atom smirks="[#16:1]" epsilon="0.25 * kilocalorie ** 1 * mole ** -1" id="n21" rmin_half="2.0 * angstrom ** 1"></Atom>
         <Atom smirks="[#15:1]" epsilon="0.2 * kilocalorie ** 1 * mole ** -1" id="n22" rmin_half="2.1 * angstrom ** 1"></Atom>
         <Atom smirks="[#9:1]" epsilon="0.061 * kilocalorie ** 1 * mole ** -1" id="n23" rmin_half="1.75 * angstrom ** 1"></Atom>
-        <Atom smirks="[#17:1]" epsilon="0.2656001046527 * kilocalorie ** 1 * mole ** -1" id="n24" rmin_half="1.85628721824 * angstrom ** 1"></Atom>
-        <Atom smirks="[#35:1]" epsilon="0.3218986365974 * kilocalorie ** 1 * mole ** -1" id="n25" rmin_half="1.969806594135 * angstrom ** 1"></Atom>
+        <Atom smirks="[#17:1]" epsilon="0.2378672481785 * kilocalorie ** 1 * mole ** -1" id="n24" rmin_half="1.847209758547 * angstrom ** 1"></Atom>
+        <Atom smirks="[#35:1]" epsilon="0.3359052482848 * kilocalorie ** 1 * mole ** -1" id="n25" rmin_half="1.964485358405 * angstrom ** 1"></Atom>
         <Atom smirks="[#53:1]" epsilon="0.4 * kilocalorie ** 1 * mole ** -1" id="n26" rmin_half="2.35 * angstrom ** 1"></Atom>
         <Atom smirks="[#3+1:1]" epsilon="0.0279896 * kilocalorie ** 1 * mole ** -1" id="n27" rmin_half="1.025 * angstrom ** 1"></Atom>
         <Atom smirks="[#11+1:1]" epsilon="0.0874393 * kilocalorie ** 1 * mole ** -1" id="n28" rmin_half="1.369 * angstrom ** 1"></Atom>
@@ -391,9 +484,9 @@
         <LibraryCharge smirks="[#1]-[#8X2H2+0:1]-[#1]" charge1="0 * elementary_charge ** 1" id="q-tip4p-fb-O"></LibraryCharge>
         <LibraryCharge smirks="[#1:1]-[#8X2H2+0]-[#1]" charge1="0 * elementary_charge ** 1" id="q-tip4p-fb-H"></LibraryCharge>
     </LibraryCharges>
+    <NAGLCharges version="0.3" model_file="openff-gnn-am1bcc-1.0.0.pt" model_file_hash="7981e7f5b0b1e424c9e10a40d9e7606d96dcd3dd2b095cb4eeff6829f92238ee"></NAGLCharges>
     <VirtualSites version="0.3" exclusion_policy="parents">
         <VirtualSite smirks="[#1:2]-[#8X2H2+0:1]-[#1:3]" epsilon="0.0 * kilocalorie_per_mole ** 1" type="DivalentLonePair" match="once" distance="-0.010527445756662016 * nanometer ** 1" outOfPlaneAngle="0.0 * degree ** 1" inPlaneAngle="None" charge_increment1="0.0 * elementary_charge ** 1" charge_increment2="0.5758681106763001 * elementary_charge ** 1" charge_increment3="0.5758681106763001 * elementary_charge ** 1" sigma="1.0 * angstrom ** 1" name="EP" parameterize="distance,charge_increment2" parameter_eval="charge_increment3=PRM['VirtualSites/VirtualSite/charge_increment2/[#1:2]-[#8X2H2+0:1]-[#1:3]/DivalentLonePair/EP/once']"></VirtualSite>
         <VirtualSite smirks="[#1:2]-[#8X2H2+0:1]-[#1:3]" epsilon="0.0 * kilocalorie_per_mole ** 1" type="DivalentLonePair" match="all_permutations" distance="0.09572 * nanometer ** 1" outOfPlaneAngle="52.25999999987184 * degree ** 1" inPlaneAngle="None" charge_increment1="0 * elementary_charge ** 1" charge_increment2="-0.28793405533815003 * elementary_charge ** 1" charge_increment3="-0.28793405533815003 * elementary_charge ** 1" sigma="1.0 * angstrom ** 1" name="EP-L"></VirtualSite>
     </VirtualSites>
-    <NAGLCharges model_file="openff-gnn-am1bcc-1.0.0.pt" model_file_hash="7981e7f5b0b1e424c9e10a40d9e7606d96dcd3dd2b095cb4eeff6829f92238ee" version="0.3"></NAGLCharges>
 </SMIRNOFF>
\ No newline at end of file
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/generate-4-site-input-forcefield.py b/studies/028_smirnoff_tip4p_geometry_fit/generate-4-site-input-forcefield.py
index d9d02d6d9..1b0b1c41e 100644
--- a/studies/028_smirnoff_tip4p_geometry_fit/generate-4-site-input-forcefield.py
+++ b/studies/028_smirnoff_tip4p_geometry_fit/generate-4-site-input-forcefield.py
@@ -41,7 +41,7 @@
 @click.option(
     "--input-force-field",
     "-i",
-    default="openff-2.2.1.offxml",
+    default="openff-2.3.0.offxml",
     show_default=True,
     type=str,
     help="Input small-molecule OpenFF force field (.offxml).",
@@ -57,7 +57,7 @@
 @click.option(
     "--output-force-field",
     "-o",
-    default="force-field.offxml",
+    default="forcefield/force-field.offxml",
     show_default=True,
     type=click.Path(dir_okay=False, path_type=pathlib.Path),
     help="Path for the generated force field.",

From a770175e4137134dfc3043c6e92579eb20c7703a Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Sat, 7 Mar 2026 00:01:51 +1100
Subject: [PATCH 69/76] fix teardown

---
 src/tests/test_system.py | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 8063f3748..4c7c661af 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -461,6 +461,9 @@ def setup_method(self, method):
         self.study_directory = os.getcwd()
         self.atol = 1e-6
 
+    def teardown_method(self):
+        os.chdir(self.start_directory)
+
     def _eval(self, input_file):
         """Parse input_file, build objective, evaluate at mvals=0, return (X, G)."""
         options, tgt_opts = parse_inputs(input_file)

From 9ac70c8605ef0fd50939b531513026c12470ae4a Mon Sep 17 00:00:00 2001
From: Lily Wang <lily.wang@openforcefield.org>
Date: Thu, 19 Mar 2026 16:33:17 +1100
Subject: [PATCH 70/76] fix wq blocking

---
 src/evaluator_io.py | 17 ++++++++++++++---
 1 file changed, 14 insertions(+), 3 deletions(-)

diff --git a/src/evaluator_io.py b/src/evaluator_io.py
index 12bdadb68..6c7802f93 100644
--- a/src/evaluator_io.py
+++ b/src/evaluator_io.py
@@ -560,9 +560,7 @@ def submit_jobs(self, mvals, AGrad=True, AHess=True):
         )
 
         if (
-            self._pending_estimate_request.results(
-                True, polling_interval=self._options.polling_interval
-            )[0] is None
+            self._pending_estimate_request.results(False)[0] is None
         ):
 
             raise RuntimeError(
@@ -773,6 +771,19 @@ def get(self, mvals, AGrad=True, AHess=True):
         AGrad = bool(AGrad)
         AHess = bool(AHess)
 
+        # Block until the Evaluator computation is finished.  This is intentionally
+        # placed here (not in submit_jobs) so that Work Queue tasks submitted by other
+        # targets can run concurrently while we wait.
+        estimation_results, _ = self._pending_estimate_request.results(
+            True, polling_interval=self._options.polling_interval
+        )
+        if estimation_results is None:
+            raise RuntimeError(
+                "No `EvaluatorServer` could be found to retrieve results from. "
+                "Please double check that a server is running, and that the connection "
+                "settings specified in the input script are correct."
+            )
+
         # Extract the properties estimated using the unperturbed parameters.
         estimated_data_set, estimated_gradients = self._extract_property_data(
             self._pending_estimate_request, mvals, AGrad

From 8b197972ee63b8ddca6369c50907880fb03d2fe5 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Wed, 1 Apr 2026 07:43:16 +1100
Subject: [PATCH 71/76] compress targets

---
 .../targets.tar.gz                            |   Bin 0 -> 1262787 bytes
 .../targets/Liquid-H25-RTA/data.csv           |    49 -
 .../targets/Liquid-H25-RTA/gas.pdb            |     8 -
 .../targets/Liquid-H25-RTA/liquid.pdb         |   652 -
 .../targets/Liquid-H25-RTA/old-liquid.pdb     |   654 -
 .../targets/Liquid-H25-RTA/water.mol2         |    13 -
 .../targets/Liquid-H25-RTA/water.sdf          |    11 -
 .../targets/phys-prop/options.json            |   917 -
 .../targets/phys-prop/training-set.json       |    74 -
 .../targets/water/all.gro                     |   279 -
 .../targets/water/input.sdf                   |    11 -
 .../targets/water/qdata.txt                   | 36000 ---------
 .../targets/water/water.pdb                   |     9 -
 .../targets.tar.gz                            |   Bin 0 -> 1801940 bytes
 .../targets/water/all.gro                     | 64800 ----------------
 .../targets/water/input.sdf                   |    11 -
 .../targets/water/qdata.txt                   | 36000 ---------
 .../targets/water/water.pdb                   |     7 -
 18 files changed, 139495 deletions(-)
 create mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets.tar.gz
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/gas.pdb
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/liquid.pdb
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/old-liquid.pdb
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.mol2
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.sdf
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/options.json
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/training-set.json
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/water/all.gro
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/water/input.sdf
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/water/qdata.txt
 delete mode 100644 studies/028_smirnoff_tip4p_geometry_fit/targets/water/water.pdb
 create mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/targets.tar.gz
 delete mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/targets/water/all.gro
 delete mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/targets/water/input.sdf
 delete mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/targets/water/qdata.txt
 delete mode 100644 studies/029_smirnoff_vs_openmm_water_vsite/targets/water/water.pdb

diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets.tar.gz b/studies/028_smirnoff_tip4p_geometry_fit/targets.tar.gz
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HcmV?d00001

diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv
deleted file mode 100644
index f1a80ece8..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/data.csv
+++ /dev/null
@@ -1,49 +0,0 @@
-# This is documentation for the ForceBalance condensed phase reference data file,,,,,,,,,,,,,,,,,,,
-"# Lines beginning with octothorpe are comments, empty lines are ignored",,,,,,,,,,,,,,,,,,,
-"# A line can either be a comment, a global parameter, a single line with column headings, or a data line (after the column heading line)",,,,,,,,,,,,,,,,,,,
-# This file should be saved as .xlsx (to preserve formatting) but exported to .csv for ForceBalance to use.,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,
-"# Global parameters are defined here; they have ""Global"" in the first column.",,,,,,,,,,,,,,,,,,,
-# rho_denom : least squares denominator for the density objective function,,,,,,,,,,,,,,,,,,,
-"# Note: w_rho, w_hvap etc. is set in the input file.  This is because it's considered an adjustable option rather than a property of the data set.",,,,,,,,,,,,,,,,,,,
-# The overall prefactor for an observable is w_obs / obs_denom^2 ,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,
-Global,rho_denom,1.0,,,,,,,,,,,,,,,,,
-Global,hvap_denom,0.25,,,,,,,,,,,,,,,,,
-Global,alpha_denom,1.0,,,,,,,,,,,,,,,,,
-Global,kappa_denom,5.0,,,,,,,,,,,,,,,,,
-Global,cp_denom,1.0,,,,,,,,,,,,,,,,,
-Global,eps0_denom,2.0,,,,,,,,,,,,,,,,,
-Global,use_cvib_intra,TRUE,,,,,,,,,,,,,,,,,
-Global,use_cvib_inter,TRUE,,,,,,,,,,,,,,,,,
-Global,use_cni,TRUE,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,
-"# Before entering the data, there must be one line with column headings.",,,,,,,,,,,,,,,,,,,
-# Allowed column headings are: (not case sensitive),,,,,,,,,,,,,,,,,,,
-# T : Temperature in Kelvin,,,,,,,,,,,,,,,,,,,
-"# P : Pressure in specified unit (append atm or bar), default is atm",,,,,,,,,,,,,,,,,,,
-# MBAR : Include this state in multistate Bennett acceptance ratio calculation (more extreme states are not included),,,,,,,,,,,,,,,,,,,
-# Rho : Density in kg m^-3,,,,,,,,,,,,,,,,,,,
-# Hvap : Enthalpy of vaporization in kJ/mol.  Note: simulating liquid at 1 atm is an acceptable approximation for the vapor pressure.,,,,,,,,,,,,,,,,,,,
-# Alpha : Thermal expansion coefficient in 10^-4 K^-1.,,,,,,,,,,,,,,,,,,,
-# Kappa: Isothermal compressibility in 10^-6 bar^-1.,,,,,,,,,,,,,,,,,,,
-# Cp: Isobaric heat capacity in kJ/mol K^-1.,,,,,,,,,,,,,,,,,,,
-# Eps0: Static dielectric constant.,,,,,,,,,,,,,,,,,,,
-# Rho_wt : Weight to use for this phase point. Analogous for Hvap etc. If column is missing then all weights are 1.,,,,,,,,,,,,,,,,,,,
-# Cvib_intra : To be ADDED to the calculated enthalpy of vaporization ; energy difference due to intramolecular vibrational frequency shifts in going from gas to liquid,,,,,,,,,,,,,,,,,,,
-# Cvib_inter : To be ADDED to the calculated enthalpy of vaporization ; energy difference due to intermolecular vibrational frequency shifts in going from gas to liquid,,,,,,,,,,,,,,,,,,,
-# Cni : To be ADDED to the calculated enthalpy of vaporization ; accounts for the nonideality of the gas phase (more relevant close to critical point),,,,,,,,,,,,,,,,,,,
-# dEvib : To be ADDED to the calculated heat capacity.  Note that these values are slightly different from the TIP4P-Ew paper for some reason.,,,,,,,,,,,,,,,,,,,
-# NOTE : To finish off the optimization I increased the weight of rho and alpha on the low temperature points.,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,
-T,P,MBAR,Rho,Rho_wt,Hvap,Hvap_wt,Cvib_intra,Cvib_inter,Cni,Alpha,Alpha_wt,Kappa,Kappa_wt,Cp,Cp_wt,dEvib_intra,dEvib_inter,Eps0,Eps0_wt
-293.15,1.0 atm,TRUE,998.204,1.0,44.203,1.0,3.541,-3.860,-0.021,2.068,1.0,45.892,1.0,18.015,1.0,0.040,-2.277,80.223,1.0
-301.15,1.0 atm,TRUE,996.234,1.0,43.861,1.0,3.542,-3.785,-0.028,2.853,1.0,44.943,1.0,17.998,1.0,0.048,-2.203,77.339,1.0
-# Data going all the way up to the critical point. ,,,,,,,,,,,,,,,,,,,
-# Above 600K the data for second order properties is not trustworthy; FreeSteam and Steam Tables Online have divergent results.,,,,,,,,,,,,,,,,,,,
-#380,1.3 atm,FALSE,953.327,1.0,40.322,1.0,3.546,-3.162,-0.277,7.876,1.0,50.205,1.0,18.195,1.0,0.155,-1.612,53.796,1.0
-#490,21.5 atm,FALSE,844.219,0.1,33.706,0.1,3.557,-2.551,-2.031,15.368,0.0,102.758,0.0,19.764,0.0,0.396,-1.089,31.992,0.0
-# Pressure dependence data.  At very high pressures the weight is reduced because larger deviations from experiment are expected.,,,,,,,,,,,,,,,,,,,
-# The enthalpy of vaporization calculation is meaningless so it is given a weight of zero.,,,,,,,,,,,,,,,,,,,
-298.15,1000.0 bar,TRUE,1037.872,1.0,43.989,0.0,3.542,-3.813,-0.025,3.502,1.0,35.723,1.0,17.123,1.0,0.045,-2.231,81.900,1.0
-298.15,5000.0 bar,TRUE,1149.422,1.0,43.989,0.0,3.542,-3.813,-0.025,4.425,1.0,18.888,1.0,16.301,1.0,0.045,-2.231,93.087,1.0
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/gas.pdb b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/gas.pdb
deleted file mode 100644
index 4f1d04517..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/gas.pdb
+++ /dev/null
@@ -1,8 +0,0 @@
-TITLE     Water Monomer
-REMARK    THIS IS A SIMULATION BOX
-MODEL        1
-ATOM      1  O   HOH     1       8.039   5.868   0.493  1.00  0.00            
-ATOM      2 H1   HOH     1       7.581   5.023   0.404  1.00  0.00            
-ATOM      3 H2   HOH     1       8.287   6.062  -0.397  1.00  0.00            
-TER
-ENDMDL
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/liquid.pdb b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/liquid.pdb
deleted file mode 100644
index f43b3f93b..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/liquid.pdb
+++ /dev/null
@@ -1,652 +0,0 @@
-REMARK   1 CREATED WITH OPENMM 8.2, 2026-02-24
-CRYST1   18.708   18.708   18.708  90.00  90.00  90.00 P 1           1 
-HETATM    1  O   HOH A   1       0.786  16.257   2.355  1.00  0.00           O  
-HETATM    2  H1  HOH A   1       1.288  16.787   1.736  1.00  0.00           H  
-HETATM    3  H2  HOH A   1       0.185  15.752   1.808  1.00  0.00           H  
-HETATM    4  O   HOH A   2       2.478  22.819   2.523  1.00  0.00           O  
-HETATM    5  H1  HOH A   2       3.126  22.981   3.208  1.00  0.00           H  
-HETATM    6  H2  HOH A   2       2.875  22.143   1.972  1.00  0.00           H  
-HETATM    7  O   HOH A   3      10.229  13.383  -0.008  1.00  0.00           O  
-HETATM    8  H1  HOH A   3       9.779  12.598  -0.321  1.00  0.00           H  
-HETATM    9  H2  HOH A   3      10.523  13.156   0.874  1.00  0.00           H  
-HETATM   10  O   HOH A   4       4.265  21.051  -9.630  1.00  0.00           O  
-HETATM   11  H1  HOH A   4       3.681  21.769  -9.388  1.00  0.00           H  
-HETATM   12  H2  HOH A   4       5.114  21.469  -9.773  1.00  0.00           H  
-HETATM   13  O   HOH A   5       6.467  -7.339   5.089  1.00  0.00           O  
-HETATM   14  H1  HOH A   5       6.752  -8.204   4.797  1.00  0.00           H  
-HETATM   15  H2  HOH A   5       6.122  -7.484   5.970  1.00  0.00           H  
-HETATM   16  O   HOH A   6      -2.125  12.879   5.131  1.00  0.00           O  
-HETATM   17  H1  HOH A   6      -2.600  13.270   5.865  1.00  0.00           H  
-HETATM   18  H2  HOH A   6      -1.208  13.098   5.294  1.00  0.00           H  
-HETATM   19  O   HOH A   7       1.965  15.609  -8.173  1.00  0.00           O  
-HETATM   20  H1  HOH A   7       1.452  14.944  -7.714  1.00  0.00           H  
-HETATM   21  H2  HOH A   7       1.795  15.445  -9.101  1.00  0.00           H  
-HETATM   22  O   HOH A   8      10.929  -4.344   3.982  1.00  0.00           O  
-HETATM   23  H1  HOH A   8      10.926  -3.826   4.787  1.00  0.00           H  
-HETATM   24  H2  HOH A   8      10.307  -5.052   4.150  1.00  0.00           H  
-HETATM   25  O   HOH A   9      -0.531   4.018  -2.893  1.00  0.00           O  
-HETATM   26  H1  HOH A   9      -1.231   3.567  -2.422  1.00  0.00           H  
-HETATM   27  H2  HOH A   9      -0.464   4.872  -2.465  1.00  0.00           H  
-HETATM   28  O   HOH A  10     -13.868   8.116 -11.582  1.00  0.00           O  
-HETATM   29  H1  HOH A  10     -13.698   8.084 -12.524  1.00  0.00           H  
-HETATM   30  H2  HOH A  10     -13.401   8.895 -11.280  1.00  0.00           H  
-HETATM   31  O   HOH A  11       7.310  16.725  21.172  1.00  0.00           O  
-HETATM   32  H1  HOH A  11       6.565  17.311  21.032  1.00  0.00           H  
-HETATM   33  H2  HOH A  11       7.334  16.589  22.119  1.00  0.00           H  
-HETATM   34  O   HOH A  12       0.099  13.495  -1.191  1.00  0.00           O  
-HETATM   35  H1  HOH A  12      -0.211  13.742  -0.320  1.00  0.00           H  
-HETATM   36  H2  HOH A  12      -0.489  13.951  -1.794  1.00  0.00           H  
-HETATM   37  O   HOH A  13       1.354   0.119   6.608  1.00  0.00           O  
-HETATM   38  H1  HOH A  13       2.176  -0.356   6.725  1.00  0.00           H  
-HETATM   39  H2  HOH A  13       1.032  -0.165   5.753  1.00  0.00           H  
-HETATM   40  O   HOH A  14     -11.712  19.432   6.473  1.00  0.00           O  
-HETATM   41  H1  HOH A  14     -12.360  19.260   7.156  1.00  0.00           H  
-HETATM   42  H2  HOH A  14     -12.206  19.862   5.775  1.00  0.00           H  
-HETATM   43  O   HOH A  15      19.547   9.687 -12.038  1.00  0.00           O  
-HETATM   44  H1  HOH A  15      19.074   9.103 -12.630  1.00  0.00           H  
-HETATM   45  H2  HOH A  15      18.869  10.055 -11.471  1.00  0.00           H  
-HETATM   46  O   HOH A  16       4.811  22.248  12.561  1.00  0.00           O  
-HETATM   47  H1  HOH A  16       5.605  21.810  12.254  1.00  0.00           H  
-HETATM   48  H2  HOH A  16       4.466  22.691  11.785  1.00  0.00           H  
-HETATM   49  O   HOH A  17       6.463   5.018  -1.575  1.00  0.00           O  
-HETATM   50  H1  HOH A  17       6.116   4.195  -1.232  1.00  0.00           H  
-HETATM   51  H2  HOH A  17       6.041   5.119  -2.429  1.00  0.00           H  
-HETATM   52  O   HOH A  18      -7.051  -5.546  -3.620  1.00  0.00           O  
-HETATM   53  H1  HOH A  18      -6.698  -4.660  -3.541  1.00  0.00           H  
-HETATM   54  H2  HOH A  18      -7.170  -5.839  -2.717  1.00  0.00           H  
-HETATM   55  O   HOH A  19      -4.051   1.129   5.780  1.00  0.00           O  
-HETATM   56  H1  HOH A  19      -3.209   1.230   6.224  1.00  0.00           H  
-HETATM   57  H2  HOH A  19      -4.660   1.654   6.298  1.00  0.00           H  
-HETATM   58  O   HOH A  20      -2.280   8.949  -2.836  1.00  0.00           O  
-HETATM   59  H1  HOH A  20      -2.595   8.261  -2.250  1.00  0.00           H  
-HETATM   60  H2  HOH A  20      -1.994   9.650  -2.250  1.00  0.00           H  
-HETATM   61  O   HOH A  21      15.217  12.386  -1.585  1.00  0.00           O  
-HETATM   62  H1  HOH A  21      14.815  12.571  -0.736  1.00  0.00           H  
-HETATM   63  H2  HOH A  21      16.059  11.984  -1.369  1.00  0.00           H  
-HETATM   64  O   HOH A  22      14.221   0.267  -6.753  1.00  0.00           O  
-HETATM   65  H1  HOH A  22      14.862   0.622  -7.368  1.00  0.00           H  
-HETATM   66  H2  HOH A  22      14.324   0.800  -5.964  1.00  0.00           H  
-HETATM   67  O   HOH A  23      18.094   6.529 -11.209  1.00  0.00           O  
-HETATM   68  H1  HOH A  23      18.996   6.374 -11.490  1.00  0.00           H  
-HETATM   69  H2  HOH A  23      17.629   6.764 -12.012  1.00  0.00           H  
-HETATM   70  O   HOH A  24      12.316  19.993  16.331  1.00  0.00           O  
-HETATM   71  H1  HOH A  24      11.553  20.418  15.939  1.00  0.00           H  
-HETATM   72  H2  HOH A  24      12.245  20.187  17.265  1.00  0.00           H  
-HETATM   73  O   HOH A  25      -4.558   1.061   3.141  1.00  0.00           O  
-HETATM   74  H1  HOH A  25      -5.192   0.366   2.967  1.00  0.00           H  
-HETATM   75  H2  HOH A  25      -4.465   1.068   4.093  1.00  0.00           H  
-HETATM   76  O   HOH A  26      14.883   7.195 -12.105  1.00  0.00           O  
-HETATM   77  H1  HOH A  26      15.544   7.615 -11.554  1.00  0.00           H  
-HETATM   78  H2  HOH A  26      14.065   7.640 -11.879  1.00  0.00           H  
-HETATM   79  O   HOH A  27     -19.041   6.290  -1.462  1.00  0.00           O  
-HETATM   80  H1  HOH A  27     -18.447   6.247  -0.713  1.00  0.00           H  
-HETATM   81  H2  HOH A  27     -19.894   6.495  -1.080  1.00  0.00           H  
-HETATM   82  O   HOH A  28      10.839   9.724   4.900  1.00  0.00           O  
-HETATM   83  H1  HOH A  28      11.768   9.950   4.855  1.00  0.00           H  
-HETATM   84  H2  HOH A  28      10.549   9.716   3.988  1.00  0.00           H  
-HETATM   85  O   HOH A  29      21.872  17.978  11.117  1.00  0.00           O  
-HETATM   86  H1  HOH A  29      22.811  17.890  10.952  1.00  0.00           H  
-HETATM   87  H2  HOH A  29      21.498  17.148  10.824  1.00  0.00           H  
-HETATM   88  O   HOH A  30      -7.939  10.088  10.108  1.00  0.00           O  
-HETATM   89  H1  HOH A  30      -7.933  10.182   9.156  1.00  0.00           H  
-HETATM   90  H2  HOH A  30      -8.778  10.460  10.380  1.00  0.00           H  
-HETATM   91  O   HOH A  31       4.995  15.656  15.180  1.00  0.00           O  
-HETATM   92  H1  HOH A  31       5.951  15.608  15.141  1.00  0.00           H  
-HETATM   93  H2  HOH A  31       4.715  15.588  14.267  1.00  0.00           H  
-HETATM   94  O   HOH A  32      13.560  11.281  15.151  1.00  0.00           O  
-HETATM   95  H1  HOH A  32      14.131  11.708  15.788  1.00  0.00           H  
-HETATM   96  H2  HOH A  32      12.941  11.962  14.888  1.00  0.00           H  
-HETATM   97  O   HOH A  33      -5.362   4.316   5.879  1.00  0.00           O  
-HETATM   98  H1  HOH A  33      -4.648   4.585   6.457  1.00  0.00           H  
-HETATM   99  H2  HOH A  33      -6.066   4.057   6.472  1.00  0.00           H  
-HETATM  100  O   HOH A  34      -3.676   8.920  10.076  1.00  0.00           O  
-HETATM  101  H1  HOH A  34      -3.538   8.949  11.023  1.00  0.00           H  
-HETATM  102  H2  HOH A  34      -4.450   8.368   9.964  1.00  0.00           H  
-HETATM  103  O   HOH A  35      -6.003  15.700  -3.325  1.00  0.00           O  
-HETATM  104  H1  HOH A  35      -6.657  16.384  -3.181  1.00  0.00           H  
-HETATM  105  H2  HOH A  35      -5.499  16.005  -4.080  1.00  0.00           H  
-HETATM  106  O   HOH A  36       3.113  19.727  13.196  1.00  0.00           O  
-HETATM  107  H1  HOH A  36       3.276  19.024  12.567  1.00  0.00           H  
-HETATM  108  H2  HOH A  36       3.804  20.367  13.025  1.00  0.00           H  
-HETATM  109  O   HOH A  37      10.092  11.216  26.010  1.00  0.00           O  
-HETATM  110  H1  HOH A  37       9.738  10.809  25.219  1.00  0.00           H  
-HETATM  111  H2  HOH A  37      11.037  11.253  25.859  1.00  0.00           H  
-HETATM  112  O   HOH A  38       8.213  11.329  -8.055  1.00  0.00           O  
-HETATM  113  H1  HOH A  38       8.356  12.062  -8.654  1.00  0.00           H  
-HETATM  114  H2  HOH A  38       8.555  11.636  -7.215  1.00  0.00           H  
-HETATM  115  O   HOH A  39      11.946  17.874  12.840  1.00  0.00           O  
-HETATM  116  H1  HOH A  39      11.505  17.471  12.092  1.00  0.00           H  
-HETATM  117  H2  HOH A  39      12.686  18.346  12.458  1.00  0.00           H  
-HETATM  118  O   HOH A  40      -5.368  -7.758  -8.006  1.00  0.00           O  
-HETATM  119  H1  HOH A  40      -6.208  -8.182  -8.179  1.00  0.00           H  
-HETATM  120  H2  HOH A  40      -4.717  -8.358  -8.371  1.00  0.00           H  
-HETATM  121  O   HOH A  41     -11.990   7.194  12.176  1.00  0.00           O  
-HETATM  122  H1  HOH A  41     -11.808   7.974  12.702  1.00  0.00           H  
-HETATM  123  H2  HOH A  41     -11.340   6.553  12.466  1.00  0.00           H  
-HETATM  124  O   HOH A  42       8.701  12.748   4.033  1.00  0.00           O  
-HETATM  125  H1  HOH A  42       7.931  12.280   4.354  1.00  0.00           H  
-HETATM  126  H2  HOH A  42       8.558  12.829   3.090  1.00  0.00           H  
-HETATM  127  O   HOH A  43       2.086   4.232  25.521  1.00  0.00           O  
-HETATM  128  H1  HOH A  43       1.996   3.702  24.729  1.00  0.00           H  
-HETATM  129  H2  HOH A  43       1.914   5.128  25.231  1.00  0.00           H  
-HETATM  130  O   HOH A  44      12.468   8.153   7.522  1.00  0.00           O  
-HETATM  131  H1  HOH A  44      12.606   7.893   8.433  1.00  0.00           H  
-HETATM  132  H2  HOH A  44      11.834   7.520   7.186  1.00  0.00           H  
-HETATM  133  O   HOH A  45       9.539  23.466   8.516  1.00  0.00           O  
-HETATM  134  H1  HOH A  45       9.854  23.266   9.398  1.00  0.00           H  
-HETATM  135  H2  HOH A  45       8.630  23.167   8.514  1.00  0.00           H  
-HETATM  136  O   HOH A  46      -2.276  20.410  10.354  1.00  0.00           O  
-HETATM  137  H1  HOH A  46      -1.657  20.555   9.638  1.00  0.00           H  
-HETATM  138  H2  HOH A  46      -1.970  20.985  11.056  1.00  0.00           H  
-HETATM  139  O   HOH A  47      -7.613   6.958   3.787  1.00  0.00           O  
-HETATM  140  H1  HOH A  47      -6.774   6.552   3.567  1.00  0.00           H  
-HETATM  141  H2  HOH A  47      -7.377   7.779   4.218  1.00  0.00           H  
-HETATM  142  O   HOH A  48      13.634  10.776   4.260  1.00  0.00           O  
-HETATM  143  H1  HOH A  48      13.807  10.370   3.410  1.00  0.00           H  
-HETATM  144  H2  HOH A  48      14.418  10.592   4.777  1.00  0.00           H  
-HETATM  145  O   HOH A  49       2.406  19.183  15.999  1.00  0.00           O  
-HETATM  146  H1  HOH A  49       2.313  20.042  16.411  1.00  0.00           H  
-HETATM  147  H2  HOH A  49       2.672  19.376  15.100  1.00  0.00           H  
-HETATM  148  O   HOH A  50      12.463  22.137  13.211  1.00  0.00           O  
-HETATM  149  H1  HOH A  50      13.262  21.671  13.456  1.00  0.00           H  
-HETATM  150  H2  HOH A  50      11.842  21.933  13.911  1.00  0.00           H  
-HETATM  151  O   HOH A  51     -13.507  -7.522   7.459  1.00  0.00           O  
-HETATM  152  H1  HOH A  51     -13.547  -6.646   7.843  1.00  0.00           H  
-HETATM  153  H2  HOH A  51     -12.859  -7.987   7.988  1.00  0.00           H  
-HETATM  154  O   HOH A  52       8.979   8.676   0.028  1.00  0.00           O  
-HETATM  155  H1  HOH A  52       9.489   7.959  -0.347  1.00  0.00           H  
-HETATM  156  H2  HOH A  52       8.080   8.506  -0.255  1.00  0.00           H  
-HETATM  157  O   HOH A  53     -15.884  17.191   0.459  1.00  0.00           O  
-HETATM  158  H1  HOH A  53     -15.306  17.223  -0.303  1.00  0.00           H  
-HETATM  159  H2  HOH A  53     -16.734  17.481   0.128  1.00  0.00           H  
-HETATM  160  O   HOH A  54       3.458  14.445  -0.316  1.00  0.00           O  
-HETATM  161  H1  HOH A  54       2.871  14.123  -1.000  1.00  0.00           H  
-HETATM  162  H2  HOH A  54       3.229  15.370  -0.219  1.00  0.00           H  
-HETATM  163  O   HOH A  55       3.423   2.485   0.614  1.00  0.00           O  
-HETATM  164  H1  HOH A  55       4.370   2.579   0.512  1.00  0.00           H  
-HETATM  165  H2  HOH A  55       3.068   2.677  -0.254  1.00  0.00           H  
-HETATM  166  O   HOH A  56       2.409  24.802  -5.681  1.00  0.00           O  
-HETATM  167  H1  HOH A  56       1.602  25.312  -5.610  1.00  0.00           H  
-HETATM  168  H2  HOH A  56       2.174  23.934  -5.353  1.00  0.00           H  
-HETATM  169  O   HOH A  57     -16.084  12.672  20.272  1.00  0.00           O  
-HETATM  170  H1  HOH A  57     -15.514  11.913  20.151  1.00  0.00           H  
-HETATM  171  H2  HOH A  57     -15.693  13.355  19.727  1.00  0.00           H  
-HETATM  172  O   HOH A  58      -2.417  17.655  23.169  1.00  0.00           O  
-HETATM  173  H1  HOH A  58      -2.733  16.768  22.995  1.00  0.00           H  
-HETATM  174  H2  HOH A  58      -3.157  18.095  23.587  1.00  0.00           H  
-HETATM  175  O   HOH A  59      -9.492   4.882   4.580  1.00  0.00           O  
-HETATM  176  H1  HOH A  59      -9.089   5.638   4.153  1.00  0.00           H  
-HETATM  177  H2  HOH A  59     -10.019   5.258   5.285  1.00  0.00           H  
-HETATM  178  O   HOH A  60       0.950   7.740  15.407  1.00  0.00           O  
-HETATM  179  H1  HOH A  60       0.430   7.654  14.608  1.00  0.00           H  
-HETATM  180  H2  HOH A  60       0.479   7.219  16.057  1.00  0.00           H  
-HETATM  181  O   HOH A  61       7.349   2.593  11.782  1.00  0.00           O  
-HETATM  182  H1  HOH A  61       7.308   1.946  12.486  1.00  0.00           H  
-HETATM  183  H2  HOH A  61       7.543   2.081  10.996  1.00  0.00           H  
-HETATM  184  O   HOH A  62      -8.024  23.369  11.359  1.00  0.00           O  
-HETATM  185  H1  HOH A  62      -7.321  23.018  11.905  1.00  0.00           H  
-HETATM  186  H2  HOH A  62      -8.667  23.705  11.984  1.00  0.00           H  
-HETATM  187  O   HOH A  63      -0.733  24.657  10.394  1.00  0.00           O  
-HETATM  188  H1  HOH A  63      -0.621  25.125   9.567  1.00  0.00           H  
-HETATM  189  H2  HOH A  63      -0.102  23.939  10.351  1.00  0.00           H  
-HETATM  190  O   HOH A  64      15.508   5.579  -7.050  1.00  0.00           O  
-HETATM  191  H1  HOH A  64      16.338   5.803  -7.472  1.00  0.00           H  
-HETATM  192  H2  HOH A  64      15.276   4.725  -7.415  1.00  0.00           H  
-HETATM  193  O   HOH A  65      -2.814  17.664   9.030  1.00  0.00           O  
-HETATM  194  H1  HOH A  65      -2.684  18.561   9.338  1.00  0.00           H  
-HETATM  195  H2  HOH A  65      -2.506  17.116   9.751  1.00  0.00           H  
-HETATM  196  O   HOH A  66       4.125  10.134   0.314  1.00  0.00           O  
-HETATM  197  H1  HOH A  66       4.456  10.631  -0.434  1.00  0.00           H  
-HETATM  198  H2  HOH A  66       3.292   9.772   0.013  1.00  0.00           H  
-HETATM  199  O   HOH A  67       1.751  -9.400  -1.032  1.00  0.00           O  
-HETATM  200  H1  HOH A  67       0.991  -9.691  -0.527  1.00  0.00           H  
-HETATM  201  H2  HOH A  67       1.723  -9.925  -1.831  1.00  0.00           H  
-HETATM  202  O   HOH A  68       4.038   8.121  12.780  1.00  0.00           O  
-HETATM  203  H1  HOH A  68       4.873   7.806  12.435  1.00  0.00           H  
-HETATM  204  H2  HOH A  68       3.454   7.364  12.721  1.00  0.00           H  
-HETATM  205  O   HOH A  69       0.997  -2.108  -5.027  1.00  0.00           O  
-HETATM  206  H1  HOH A  69       0.805  -1.266  -5.439  1.00  0.00           H  
-HETATM  207  H2  HOH A  69       0.177  -2.361  -4.603  1.00  0.00           H  
-HETATM  208  O   HOH A  70       5.866   4.861   6.438  1.00  0.00           O  
-HETATM  209  H1  HOH A  70       6.460   5.596   6.288  1.00  0.00           H  
-HETATM  210  H2  HOH A  70       5.065   5.265   6.774  1.00  0.00           H  
-HETATM  211  O   HOH A  71      12.694  20.960  18.804  1.00  0.00           O  
-HETATM  212  H1  HOH A  71      13.635  20.867  18.954  1.00  0.00           H  
-HETATM  213  H2  HOH A  71      12.291  20.677  19.625  1.00  0.00           H  
-HETATM  214  O   HOH A  72       7.025  12.966  14.430  1.00  0.00           O  
-HETATM  215  H1  HOH A  72       6.194  12.836  13.973  1.00  0.00           H  
-HETATM  216  H2  HOH A  72       7.218  13.896  14.316  1.00  0.00           H  
-HETATM  217  O   HOH A  73      12.473   9.675   0.254  1.00  0.00           O  
-HETATM  218  H1  HOH A  73      11.744  10.089  -0.208  1.00  0.00           H  
-HETATM  219  H2  HOH A  73      12.712   8.929  -0.296  1.00  0.00           H  
-HETATM  220  O   HOH A  74      10.414  23.848   1.348  1.00  0.00           O  
-HETATM  221  H1  HOH A  74      10.192  24.516   1.997  1.00  0.00           H  
-HETATM  222  H2  HOH A  74      10.848  23.160   1.851  1.00  0.00           H  
-HETATM  223  O   HOH A  75      24.494 -13.332  10.176  1.00  0.00           O  
-HETATM  224  H1  HOH A  75      23.710 -12.783  10.179  1.00  0.00           H  
-HETATM  225  H2  HOH A  75      25.039 -12.976  10.878  1.00  0.00           H  
-HETATM  226  O   HOH A  76      16.701 -15.394   4.262  1.00  0.00           O  
-HETATM  227  H1  HOH A  76      16.328 -14.515   4.327  1.00  0.00           H  
-HETATM  228  H2  HOH A  76      16.227 -15.802   3.537  1.00  0.00           H  
-HETATM  229  O   HOH A  77      -6.891  -6.309   2.403  1.00  0.00           O  
-HETATM  230  H1  HOH A  77      -6.711  -6.961   3.080  1.00  0.00           H  
-HETATM  231  H2  HOH A  77      -7.043  -5.497   2.886  1.00  0.00           H  
-HETATM  232  O   HOH A  78      11.895  -1.189   5.946  1.00  0.00           O  
-HETATM  233  H1  HOH A  78      12.079  -1.350   6.872  1.00  0.00           H  
-HETATM  234  H2  HOH A  78      11.403  -0.367   5.939  1.00  0.00           H  
-HETATM  235  O   HOH A  79       0.176  -5.324  -7.799  1.00  0.00           O  
-HETATM  236  H1  HOH A  79      -0.736  -5.614  -7.828  1.00  0.00           H  
-HETATM  237  H2  HOH A  79       0.493  -5.615  -6.944  1.00  0.00           H  
-HETATM  238  O   HOH A  80     -10.417   1.229   9.286  1.00  0.00           O  
-HETATM  239  H1  HOH A  80      -9.670   1.750   9.580  1.00  0.00           H  
-HETATM  240  H2  HOH A  80     -10.918   1.822   8.725  1.00  0.00           H  
-HETATM  241  O   HOH A  81       5.285  23.794  -3.904  1.00  0.00           O  
-HETATM  242  H1  HOH A  81       5.089  23.104  -4.539  1.00  0.00           H  
-HETATM  243  H2  HOH A  81       4.830  24.566  -4.241  1.00  0.00           H  
-HETATM  244  O   HOH A  82      -3.592   6.756   1.891  1.00  0.00           O  
-HETATM  245  H1  HOH A  82      -3.142   6.725   2.735  1.00  0.00           H  
-HETATM  246  H2  HOH A  82      -3.920   5.866   1.760  1.00  0.00           H  
-HETATM  247  O   HOH A  83      -3.698  15.602   3.010  1.00  0.00           O  
-HETATM  248  H1  HOH A  83      -4.359  16.026   2.462  1.00  0.00           H  
-HETATM  249  H2  HOH A  83      -4.203  15.097   3.647  1.00  0.00           H  
-HETATM  250  O   HOH A  84      -6.239   8.901  14.011  1.00  0.00           O  
-HETATM  251  H1  HOH A  84      -5.561   8.666  13.377  1.00  0.00           H  
-HETATM  252  H2  HOH A  84      -5.874   9.646  14.488  1.00  0.00           H  
-HETATM  253  O   HOH A  85      -6.095  -3.378   9.559  1.00  0.00           O  
-HETATM  254  H1  HOH A  85      -6.851  -3.783   9.986  1.00  0.00           H  
-HETATM  255  H2  HOH A  85      -5.719  -4.077   9.024  1.00  0.00           H  
-HETATM  256  O   HOH A  86      -1.708  10.215   8.068  1.00  0.00           O  
-HETATM  257  H1  HOH A  86      -2.043   9.816   8.871  1.00  0.00           H  
-HETATM  258  H2  HOH A  86      -1.474  11.108   8.323  1.00  0.00           H  
-HETATM  259  O   HOH A  87       6.911   9.563  -9.766  1.00  0.00           O  
-HETATM  260  H1  HOH A  87       7.400   8.740  -9.771  1.00  0.00           H  
-HETATM  261  H2  HOH A  87       7.283  10.057  -9.035  1.00  0.00           H  
-HETATM  262  O   HOH A  88       6.558   0.645  -5.000  1.00  0.00           O  
-HETATM  263  H1  HOH A  88       5.714   0.195  -4.973  1.00  0.00           H  
-HETATM  264  H2  HOH A  88       7.030   0.317  -4.234  1.00  0.00           H  
-HETATM  265  O   HOH A  89      16.292   6.287   4.379  1.00  0.00           O  
-HETATM  266  H1  HOH A  89      16.895   7.025   4.464  1.00  0.00           H  
-HETATM  267  H2  HOH A  89      15.615   6.453   5.035  1.00  0.00           H  
-HETATM  268  O   HOH A  90       6.169   7.821  17.758  1.00  0.00           O  
-HETATM  269  H1  HOH A  90       6.462   6.912  17.687  1.00  0.00           H  
-HETATM  270  H2  HOH A  90       5.888   8.052  16.873  1.00  0.00           H  
-HETATM  271  O   HOH A  91       2.279  -5.636  -2.920  1.00  0.00           O  
-HETATM  272  H1  HOH A  91       1.417  -5.836  -2.554  1.00  0.00           H  
-HETATM  273  H2  HOH A  91       2.136  -5.608  -3.866  1.00  0.00           H  
-HETATM  274  O   HOH A  92       3.410   7.040   9.307  1.00  0.00           O  
-HETATM  275  H1  HOH A  92       3.941   7.469   8.636  1.00  0.00           H  
-HETATM  276  H2  HOH A  92       2.718   7.671   9.505  1.00  0.00           H  
-HETATM  277  O   HOH A  93       4.475  -1.049  -1.693  1.00  0.00           O  
-HETATM  278  H1  HOH A  93       3.779  -0.447  -1.958  1.00  0.00           H  
-HETATM  279  H2  HOH A  93       4.493  -1.713  -2.382  1.00  0.00           H  
-HETATM  280  O   HOH A  94      15.958  25.682  17.958  1.00  0.00           O  
-HETATM  281  H1  HOH A  94      15.952  25.880  18.895  1.00  0.00           H  
-HETATM  282  H2  HOH A  94      15.231  25.071  17.837  1.00  0.00           H  
-HETATM  283  O   HOH A  95      18.241  -0.011  -2.612  1.00  0.00           O  
-HETATM  284  H1  HOH A  95      17.774  -0.685  -3.106  1.00  0.00           H  
-HETATM  285  H2  HOH A  95      19.122  -0.005  -2.987  1.00  0.00           H  
-HETATM  286  O   HOH A  96       0.316  -0.359   0.159  1.00  0.00           O  
-HETATM  287  H1  HOH A  96      -0.461  -0.543   0.687  1.00  0.00           H  
-HETATM  288  H2  HOH A  96      -0.004  -0.343  -0.743  1.00  0.00           H  
-HETATM  289  O   HOH A  97      -1.262  10.290  13.703  1.00  0.00           O  
-HETATM  290  H1  HOH A  97      -1.476   9.655  14.387  1.00  0.00           H  
-HETATM  291  H2  HOH A  97      -2.102  10.688  13.474  1.00  0.00           H  
-HETATM  292  O   HOH A  98       7.891  12.185  20.161  1.00  0.00           O  
-HETATM  293  H1  HOH A  98       7.337  12.958  20.271  1.00  0.00           H  
-HETATM  294  H2  HOH A  98       7.786  11.943  19.241  1.00  0.00           H  
-HETATM  295  O   HOH A  99       2.245  -3.383 -14.255  1.00  0.00           O  
-HETATM  296  H1  HOH A  99       1.840  -3.145 -15.089  1.00  0.00           H  
-HETATM  297  H2  HOH A  99       2.951  -3.983 -14.494  1.00  0.00           H  
-HETATM  298  O   HOH A 100      -6.542  -0.810 -15.643  1.00  0.00           O  
-HETATM  299  H1  HOH A 100      -6.621  -0.990 -14.706  1.00  0.00           H  
-HETATM  300  H2  HOH A 100      -7.296  -1.249 -16.036  1.00  0.00           H  
-HETATM  301  O   HOH A 101       6.109   2.434  -0.057  1.00  0.00           O  
-HETATM  302  H1  HOH A 101       6.789   2.865   0.461  1.00  0.00           H  
-HETATM  303  H2  HOH A 101       6.416   1.533  -0.155  1.00  0.00           H  
-HETATM  304  O   HOH A 102     -12.620  -4.864 -10.115  1.00  0.00           O  
-HETATM  305  H1  HOH A 102     -11.729  -5.136 -10.335  1.00  0.00           H  
-HETATM  306  H2  HOH A 102     -12.940  -4.429 -10.906  1.00  0.00           H  
-HETATM  307  O   HOH A 103      -8.625  -8.040  17.444  1.00  0.00           O  
-HETATM  308  H1  HOH A 103      -9.058  -8.689  18.000  1.00  0.00           H  
-HETATM  309  H2  HOH A 103      -8.610  -8.441  16.575  1.00  0.00           H  
-HETATM  310  O   HOH A 104      -3.242   1.891   0.390  1.00  0.00           O  
-HETATM  311  H1  HOH A 104      -3.388   1.179   1.012  1.00  0.00           H  
-HETATM  312  H2  HOH A 104      -2.447   2.324   0.701  1.00  0.00           H  
-HETATM  313  O   HOH A 105       0.199   2.997  -7.132  1.00  0.00           O  
-HETATM  314  H1  HOH A 105       0.883   2.708  -7.736  1.00  0.00           H  
-HETATM  315  H2  HOH A 105       0.676   3.338  -6.375  1.00  0.00           H  
-HETATM  316  O   HOH A 106      -7.796  -0.997  -2.200  1.00  0.00           O  
-HETATM  317  H1  HOH A 106      -7.231  -0.226  -2.148  1.00  0.00           H  
-HETATM  318  H2  HOH A 106      -7.682  -1.436  -1.357  1.00  0.00           H  
-HETATM  319  O   HOH A 107       0.175  11.881   3.151  1.00  0.00           O  
-HETATM  320  H1  HOH A 107       0.844  12.238   2.566  1.00  0.00           H  
-HETATM  321  H2  HOH A 107       0.417  12.205   4.019  1.00  0.00           H  
-HETATM  322  O   HOH A 108       2.908   5.713  -2.192  1.00  0.00           O  
-HETATM  323  H1  HOH A 108       2.502   6.318  -2.812  1.00  0.00           H  
-HETATM  324  H2  HOH A 108       3.134   6.258  -1.438  1.00  0.00           H  
-HETATM  325  O   HOH A 109      -4.073  16.105  13.152  1.00  0.00           O  
-HETATM  326  H1  HOH A 109      -4.329  16.938  12.756  1.00  0.00           H  
-HETATM  327  H2  HOH A 109      -3.427  16.343  13.817  1.00  0.00           H  
-HETATM  328  O   HOH A 110      -4.368  20.350  14.661  1.00  0.00           O  
-HETATM  329  H1  HOH A 110      -5.112  20.174  15.237  1.00  0.00           H  
-HETATM  330  H2  HOH A 110      -3.689  20.691  15.244  1.00  0.00           H  
-HETATM  331  O   HOH A 111      -8.822   9.729  -3.899  1.00  0.00           O  
-HETATM  332  H1  HOH A 111      -9.634   9.490  -4.345  1.00  0.00           H  
-HETATM  333  H2  HOH A 111      -8.128   9.390  -4.466  1.00  0.00           H  
-HETATM  334  O   HOH A 112       7.574   8.924  22.811  1.00  0.00           O  
-HETATM  335  H1  HOH A 112       8.327   9.114  22.252  1.00  0.00           H  
-HETATM  336  H2  HOH A 112       6.837   8.851  22.205  1.00  0.00           H  
-HETATM  337  O   HOH A 113      13.909  -1.635   0.587  1.00  0.00           O  
-HETATM  338  H1  HOH A 113      14.330  -2.019  -0.182  1.00  0.00           H  
-HETATM  339  H2  HOH A 113      12.983  -1.859   0.491  1.00  0.00           H  
-HETATM  340  O   HOH A 114      -7.308  15.962  18.808  1.00  0.00           O  
-HETATM  341  H1  HOH A 114      -7.928  16.202  19.497  1.00  0.00           H  
-HETATM  342  H2  HOH A 114      -7.141  15.030  18.949  1.00  0.00           H  
-HETATM  343  O   HOH A 115       8.754  -5.431   8.191  1.00  0.00           O  
-HETATM  344  H1  HOH A 115       9.285  -6.165   7.881  1.00  0.00           H  
-HETATM  345  H2  HOH A 115       9.058  -4.682   7.679  1.00  0.00           H  
-HETATM  346  O   HOH A 116       1.322   6.418   0.954  1.00  0.00           O  
-HETATM  347  H1  HOH A 116       2.218   6.706   0.781  1.00  0.00           H  
-HETATM  348  H2  HOH A 116       1.406   5.491   1.176  1.00  0.00           H  
-HETATM  349  O   HOH A 117      -4.867   5.209  17.322  1.00  0.00           O  
-HETATM  350  H1  HOH A 117      -5.307   4.731  18.024  1.00  0.00           H  
-HETATM  351  H2  HOH A 117      -4.361   4.543  16.857  1.00  0.00           H  
-HETATM  352  O   HOH A 118      13.879   4.237   1.984  1.00  0.00           O  
-HETATM  353  H1  HOH A 118      13.220   4.206   2.677  1.00  0.00           H  
-HETATM  354  H2  HOH A 118      13.947   3.333   1.677  1.00  0.00           H  
-HETATM  355  O   HOH A 119      -8.948  19.642  13.301  1.00  0.00           O  
-HETATM  356  H1  HOH A 119      -8.180  19.072  13.272  1.00  0.00           H  
-HETATM  357  H2  HOH A 119      -9.403  19.391  14.105  1.00  0.00           H  
-HETATM  358  O   HOH A 120     -13.256   5.687   1.744  1.00  0.00           O  
-HETATM  359  H1  HOH A 120     -13.417   5.422   2.649  1.00  0.00           H  
-HETATM  360  H2  HOH A 120     -12.627   5.045   1.414  1.00  0.00           H  
-HETATM  361  O   HOH A 121      16.011  13.691   9.740  1.00  0.00           O  
-HETATM  362  H1  HOH A 121      15.228  13.166   9.909  1.00  0.00           H  
-HETATM  363  H2  HOH A 121      16.202  14.114  10.578  1.00  0.00           H  
-HETATM  364  O   HOH A 122       0.048  -0.096  -6.614  1.00  0.00           O  
-HETATM  365  H1  HOH A 122       0.038   0.811  -6.309  1.00  0.00           H  
-HETATM  366  H2  HOH A 122       0.770  -0.130  -7.242  1.00  0.00           H  
-HETATM  367  O   HOH A 123       0.167   7.462  -6.047  1.00  0.00           O  
-HETATM  368  H1  HOH A 123      -0.121   6.733  -6.596  1.00  0.00           H  
-HETATM  369  H2  HOH A 123       0.154   8.222  -6.629  1.00  0.00           H  
-HETATM  370  O   HOH A 124       7.577   4.037  20.089  1.00  0.00           O  
-HETATM  371  H1  HOH A 124       7.863   3.537  20.853  1.00  0.00           H  
-HETATM  372  H2  HOH A 124       8.388   4.273  19.639  1.00  0.00           H  
-HETATM  373  O   HOH A 125      10.416  20.705  10.724  1.00  0.00           O  
-HETATM  374  H1  HOH A 125      10.248  20.239  11.543  1.00  0.00           H  
-HETATM  375  H2  HOH A 125      10.546  21.616  10.988  1.00  0.00           H  
-HETATM  376  O   HOH A 126     -12.809  -1.185  10.966  1.00  0.00           O  
-HETATM  377  H1  HOH A 126     -12.179  -0.847  11.603  1.00  0.00           H  
-HETATM  378  H2  HOH A 126     -12.755  -2.136  11.057  1.00  0.00           H  
-HETATM  379  O   HOH A 127       1.720   6.981  24.888  1.00  0.00           O  
-HETATM  380  H1  HOH A 127       2.299   7.234  24.169  1.00  0.00           H  
-HETATM  381  H2  HOH A 127       1.813   7.686  25.530  1.00  0.00           H  
-HETATM  382  O   HOH A 128     -10.303  23.640  12.745  1.00  0.00           O  
-HETATM  383  H1  HOH A 128     -10.428  23.475  13.680  1.00  0.00           H  
-HETATM  384  H2  HOH A 128     -10.578  22.828  12.319  1.00  0.00           H  
-HETATM  385  O   HOH A 129     -11.278   9.351  13.879  1.00  0.00           O  
-HETATM  386  H1  HOH A 129     -11.951   9.255  14.552  1.00  0.00           H  
-HETATM  387  H2  HOH A 129     -11.244  10.292  13.706  1.00  0.00           H  
-HETATM  388  O   HOH A 130      12.746   6.933  -8.809  1.00  0.00           O  
-HETATM  389  H1  HOH A 130      13.143   6.079  -8.980  1.00  0.00           H  
-HETATM  390  H2  HOH A 130      11.878   6.729  -8.462  1.00  0.00           H  
-HETATM  391  O   HOH A 131       6.729   3.499   8.477  1.00  0.00           O  
-HETATM  392  H1  HOH A 131       6.613   3.870   7.602  1.00  0.00           H  
-HETATM  393  H2  HOH A 131       6.411   4.180   9.069  1.00  0.00           H  
-HETATM  394  O   HOH A 132     -13.181   8.681   2.359  1.00  0.00           O  
-HETATM  395  H1  HOH A 132     -13.185   7.778   2.041  1.00  0.00           H  
-HETATM  396  H2  HOH A 132     -13.425   9.205   1.595  1.00  0.00           H  
-HETATM  397  O   HOH A 133       5.985   1.524   3.854  1.00  0.00           O  
-HETATM  398  H1  HOH A 133       5.796   0.913   3.142  1.00  0.00           H  
-HETATM  399  H2  HOH A 133       6.888   1.800   3.700  1.00  0.00           H  
-HETATM  400  O   HOH A 134       3.830   7.082  18.737  1.00  0.00           O  
-HETATM  401  H1  HOH A 134       4.313   6.452  19.273  1.00  0.00           H  
-HETATM  402  H2  HOH A 134       4.477   7.752  18.513  1.00  0.00           H  
-HETATM  403  O   HOH A 135      -6.858   4.097   3.652  1.00  0.00           O  
-HETATM  404  H1  HOH A 135      -7.687   4.056   4.129  1.00  0.00           H  
-HETATM  405  H2  HOH A 135      -6.192   4.169   4.335  1.00  0.00           H  
-HETATM  406  O   HOH A 136      -1.364  10.074   1.129  1.00  0.00           O  
-HETATM  407  H1  HOH A 136      -2.259  10.145   1.461  1.00  0.00           H  
-HETATM  408  H2  HOH A 136      -0.839   9.857   1.898  1.00  0.00           H  
-HETATM  409  O   HOH A 137       7.821  15.716  -4.245  1.00  0.00           O  
-HETATM  410  H1  HOH A 137       8.465  16.021  -4.883  1.00  0.00           H  
-HETATM  411  H2  HOH A 137       8.183  15.973  -3.397  1.00  0.00           H  
-HETATM  412  O   HOH A 138      -6.175   7.612  -1.833  1.00  0.00           O  
-HETATM  413  H1  HOH A 138      -5.599   6.868  -2.009  1.00  0.00           H  
-HETATM  414  H2  HOH A 138      -6.316   8.015  -2.690  1.00  0.00           H  
-HETATM  415  O   HOH A 139      17.197  -2.216  11.521  1.00  0.00           O  
-HETATM  416  H1  HOH A 139      17.775  -2.951  11.725  1.00  0.00           H  
-HETATM  417  H2  HOH A 139      17.748  -1.440  11.631  1.00  0.00           H  
-HETATM  418  O   HOH A 140      -0.651   9.592  10.994  1.00  0.00           O  
-HETATM  419  H1  HOH A 140      -1.450   9.080  11.119  1.00  0.00           H  
-HETATM  420  H2  HOH A 140      -0.500  10.012  11.840  1.00  0.00           H  
-HETATM  421  O   HOH A 141      -1.114  11.019  17.316  1.00  0.00           O  
-HETATM  422  H1  HOH A 141      -1.007  10.710  18.216  1.00  0.00           H  
-HETATM  423  H2  HOH A 141      -0.573  11.808  17.267  1.00  0.00           H  
-HETATM  424  O   HOH A 142      -1.039   1.810 -12.116  1.00  0.00           O  
-HETATM  425  H1  HOH A 142      -1.084   2.252 -12.963  1.00  0.00           H  
-HETATM  426  H2  HOH A 142      -0.283   1.227 -12.189  1.00  0.00           H  
-HETATM  427  O   HOH A 143       4.458  -5.448 -14.582  1.00  0.00           O  
-HETATM  428  H1  HOH A 143       5.110  -6.112 -14.358  1.00  0.00           H  
-HETATM  429  H2  HOH A 143       3.699  -5.948 -14.882  1.00  0.00           H  
-HETATM  430  O   HOH A 144     -12.083  12.539  -1.143  1.00  0.00           O  
-HETATM  431  H1  HOH A 144     -11.653  12.948  -1.894  1.00  0.00           H  
-HETATM  432  H2  HOH A 144     -12.317  13.271  -0.573  1.00  0.00           H  
-HETATM  433  O   HOH A 145      -1.655  16.374  15.399  1.00  0.00           O  
-HETATM  434  H1  HOH A 145      -2.395  16.525  15.987  1.00  0.00           H  
-HETATM  435  H2  HOH A 145      -1.538  15.424  15.401  1.00  0.00           H  
-HETATM  436  O   HOH A 146      -2.104  -1.220   1.450  1.00  0.00           O  
-HETATM  437  H1  HOH A 146      -1.873  -1.245   2.379  1.00  0.00           H  
-HETATM  438  H2  HOH A 146      -3.057  -1.314   1.437  1.00  0.00           H  
-HETATM  439  O   HOH A 147      -1.853  13.770  -3.466  1.00  0.00           O  
-HETATM  440  H1  HOH A 147      -2.633  13.493  -2.985  1.00  0.00           H  
-HETATM  441  H2  HOH A 147      -2.028  13.519  -4.373  1.00  0.00           H  
-HETATM  442  O   HOH A 148       8.092  -0.232  15.781  1.00  0.00           O  
-HETATM  443  H1  HOH A 148       8.878  -0.778  15.816  1.00  0.00           H  
-HETATM  444  H2  HOH A 148       8.004   0.117  16.668  1.00  0.00           H  
-HETATM  445  O   HOH A 149      -8.162  -4.895  -8.005  1.00  0.00           O  
-HETATM  446  H1  HOH A 149      -8.799  -5.127  -8.681  1.00  0.00           H  
-HETATM  447  H2  HOH A 149      -8.286  -5.553  -7.322  1.00  0.00           H  
-HETATM  448  O   HOH A 150       6.651  18.532  -0.537  1.00  0.00           O  
-HETATM  449  H1  HOH A 150       6.517  18.139   0.325  1.00  0.00           H  
-HETATM  450  H2  HOH A 150       5.904  18.234  -1.056  1.00  0.00           H  
-HETATM  451  O   HOH A 151       3.536  16.933   6.968  1.00  0.00           O  
-HETATM  452  H1  HOH A 151       4.079  17.257   7.686  1.00  0.00           H  
-HETATM  453  H2  HOH A 151       4.011  16.174   6.632  1.00  0.00           H  
-HETATM  454  O   HOH A 152      -0.464   2.511  19.245  1.00  0.00           O  
-HETATM  455  H1  HOH A 152       0.040   1.711  19.391  1.00  0.00           H  
-HETATM  456  H2  HOH A 152       0.100   3.213  19.569  1.00  0.00           H  
-HETATM  457  O   HOH A 153      23.948  -3.877   6.072  1.00  0.00           O  
-HETATM  458  H1  HOH A 153      24.739  -3.419   5.786  1.00  0.00           H  
-HETATM  459  H2  HOH A 153      23.672  -4.381   5.306  1.00  0.00           H  
-HETATM  460  O   HOH A 154      -5.455  -1.033 -10.333  1.00  0.00           O  
-HETATM  461  H1  HOH A 154      -4.522  -0.903 -10.164  1.00  0.00           H  
-HETATM  462  H2  HOH A 154      -5.649  -1.892  -9.957  1.00  0.00           H  
-HETATM  463  O   HOH A 155       0.977  12.346  13.299  1.00  0.00           O  
-HETATM  464  H1  HOH A 155       0.277  11.813  13.674  1.00  0.00           H  
-HETATM  465  H2  HOH A 155       1.704  11.735  13.174  1.00  0.00           H  
-HETATM  466  O   HOH A 156     -10.915 -11.888   6.040  1.00  0.00           O  
-HETATM  467  H1  HOH A 156     -10.864 -11.253   5.325  1.00  0.00           H  
-HETATM  468  H2  HOH A 156     -10.399 -11.498   6.745  1.00  0.00           H  
-HETATM  469  O   HOH A 157      -1.258  33.426   1.035  1.00  0.00           O  
-HETATM  470  H1  HOH A 157      -2.002  34.023   0.950  1.00  0.00           H  
-HETATM  471  H2  HOH A 157      -1.578  32.725   1.603  1.00  0.00           H  
-HETATM  472  O   HOH A 158       1.499  19.999   9.643  1.00  0.00           O  
-HETATM  473  H1  HOH A 158       2.441  20.080   9.793  1.00  0.00           H  
-HETATM  474  H2  HOH A 158       1.428  19.527   8.813  1.00  0.00           H  
-HETATM  475  O   HOH A 159     -16.069  10.432  -6.547  1.00  0.00           O  
-HETATM  476  H1  HOH A 159     -15.637   9.691  -6.123  1.00  0.00           H  
-HETATM  477  H2  HOH A 159     -16.206  10.145  -7.450  1.00  0.00           H  
-HETATM  478  O   HOH A 160      -2.422  14.039  -6.145  1.00  0.00           O  
-HETATM  479  H1  HOH A 160      -3.076  14.729  -6.026  1.00  0.00           H  
-HETATM  480  H2  HOH A 160      -2.931  13.230  -6.180  1.00  0.00           H  
-HETATM  481  O   HOH A 161       3.119  10.811   5.524  1.00  0.00           O  
-HETATM  482  H1  HOH A 161       2.272  10.709   5.959  1.00  0.00           H  
-HETATM  483  H2  HOH A 161       3.747  10.904   6.240  1.00  0.00           H  
-HETATM  484  O   HOH A 162      -2.854  14.500   7.161  1.00  0.00           O  
-HETATM  485  H1  HOH A 162      -2.156  15.144   7.277  1.00  0.00           H  
-HETATM  486  H2  HOH A 162      -3.008  14.152   8.039  1.00  0.00           H  
-HETATM  487  O   HOH A 163      20.521  -9.496   9.620  1.00  0.00           O  
-HETATM  488  H1  HOH A 163      19.623  -9.350   9.918  1.00  0.00           H  
-HETATM  489  H2  HOH A 163      20.639  -8.875   8.902  1.00  0.00           H  
-HETATM  490  O   HOH A 164      -0.948   8.404   5.020  1.00  0.00           O  
-HETATM  491  H1  HOH A 164      -1.686   8.990   5.186  1.00  0.00           H  
-HETATM  492  H2  HOH A 164      -0.425   8.858   4.359  1.00  0.00           H  
-HETATM  493  O   HOH A 165       4.364  11.295  -2.888  1.00  0.00           O  
-HETATM  494  H1  HOH A 165       3.649  11.928  -2.962  1.00  0.00           H  
-HETATM  495  H2  HOH A 165       5.124  11.821  -2.637  1.00  0.00           H  
-HETATM  496  O   HOH A 166      -0.938  -2.334   7.281  1.00  0.00           O  
-HETATM  497  H1  HOH A 166      -1.591  -1.772   7.698  1.00  0.00           H  
-HETATM  498  H2  HOH A 166      -0.581  -1.800   6.571  1.00  0.00           H  
-HETATM  499  O   HOH A 167      11.179  20.511   2.433  1.00  0.00           O  
-HETATM  500  H1  HOH A 167      11.496  19.735   2.896  1.00  0.00           H  
-HETATM  501  H2  HOH A 167      11.424  21.243   2.998  1.00  0.00           H  
-HETATM  502  O   HOH A 168     -13.627  -0.301   2.009  1.00  0.00           O  
-HETATM  503  H1  HOH A 168     -14.102  -0.263   2.840  1.00  0.00           H  
-HETATM  504  H2  HOH A 168     -14.279  -0.599   1.374  1.00  0.00           H  
-HETATM  505  O   HOH A 169       2.390  23.175   9.463  1.00  0.00           O  
-HETATM  506  H1  HOH A 169       2.832  24.023   9.511  1.00  0.00           H  
-HETATM  507  H2  HOH A 169       2.351  22.977   8.527  1.00  0.00           H  
-HETATM  508  O   HOH A 170       6.034  -4.225   0.729  1.00  0.00           O  
-HETATM  509  H1  HOH A 170       5.962  -3.314   1.016  1.00  0.00           H  
-HETATM  510  H2  HOH A 170       5.157  -4.449   0.419  1.00  0.00           H  
-HETATM  511  O   HOH A 171     -17.189  15.145   7.984  1.00  0.00           O  
-HETATM  512  H1  HOH A 171     -16.715  15.872   7.580  1.00  0.00           H  
-HETATM  513  H2  HOH A 171     -18.107  15.308   7.768  1.00  0.00           H  
-HETATM  514  O   HOH A 172       0.715   3.054   4.388  1.00  0.00           O  
-HETATM  515  H1  HOH A 172       1.100   3.486   3.626  1.00  0.00           H  
-HETATM  516  H2  HOH A 172      -0.212   3.289   4.354  1.00  0.00           H  
-HETATM  517  O   HOH A 173      15.967  10.339 -13.092  1.00  0.00           O  
-HETATM  518  H1  HOH A 173      16.368  11.133 -13.448  1.00  0.00           H  
-HETATM  519  H2  HOH A 173      16.231  10.328 -12.172  1.00  0.00           H  
-HETATM  520  O   HOH A 174      -4.458  13.005 -17.921  1.00  0.00           O  
-HETATM  521  H1  HOH A 174      -5.084  12.409 -17.509  1.00  0.00           H  
-HETATM  522  H2  HOH A 174      -3.669  12.932 -17.385  1.00  0.00           H  
-HETATM  523  O   HOH A 175      23.587   4.127   4.063  1.00  0.00           O  
-HETATM  524  H1  HOH A 175      23.853   4.306   4.966  1.00  0.00           H  
-HETATM  525  H2  HOH A 175      23.667   3.178   3.973  1.00  0.00           H  
-HETATM  526  O   HOH A 176       6.379  14.770  -7.521  1.00  0.00           O  
-HETATM  527  H1  HOH A 176       6.454  14.309  -8.356  1.00  0.00           H  
-HETATM  528  H2  HOH A 176       5.754  14.251  -7.014  1.00  0.00           H  
-HETATM  529  O   HOH A 177       1.633   3.462  13.737  1.00  0.00           O  
-HETATM  530  H1  HOH A 177       0.975   3.488  14.432  1.00  0.00           H  
-HETATM  531  H2  HOH A 177       1.987   2.573  13.775  1.00  0.00           H  
-HETATM  532  O   HOH A 178       8.894  17.141   8.737  1.00  0.00           O  
-HETATM  533  H1  HOH A 178       8.609  16.952   9.631  1.00  0.00           H  
-HETATM  534  H2  HOH A 178       8.584  18.031   8.570  1.00  0.00           H  
-HETATM  535  O   HOH A 179      22.049   8.478  22.912  1.00  0.00           O  
-HETATM  536  H1  HOH A 179      22.744   8.678  22.285  1.00  0.00           H  
-HETATM  537  H2  HOH A 179      21.950   9.280  23.425  1.00  0.00           H  
-HETATM  538  O   HOH A 180     -26.909  21.534  -3.783  1.00  0.00           O  
-HETATM  539  H1  HOH A 180     -27.511  22.238  -3.540  1.00  0.00           H  
-HETATM  540  H2  HOH A 180     -27.389  21.022  -4.434  1.00  0.00           H  
-HETATM  541  O   HOH A 181       9.395  12.581  -5.662  1.00  0.00           O  
-HETATM  542  H1  HOH A 181       8.549  12.698  -5.231  1.00  0.00           H  
-HETATM  543  H2  HOH A 181      10.003  12.384  -4.950  1.00  0.00           H  
-HETATM  544  O   HOH A 182       7.301  16.452   5.186  1.00  0.00           O  
-HETATM  545  H1  HOH A 182       7.054  17.247   5.659  1.00  0.00           H  
-HETATM  546  H2  HOH A 182       8.195  16.268   5.474  1.00  0.00           H  
-HETATM  547  O   HOH A 183      -8.948  15.854   6.650  1.00  0.00           O  
-HETATM  548  H1  HOH A 183      -9.295  16.339   7.399  1.00  0.00           H  
-HETATM  549  H2  HOH A 183      -8.195  16.368   6.359  1.00  0.00           H  
-HETATM  550  O   HOH A 184       9.028   7.400   8.764  1.00  0.00           O  
-HETATM  551  H1  HOH A 184       9.279   6.478   8.719  1.00  0.00           H  
-HETATM  552  H2  HOH A 184       8.783   7.538   9.679  1.00  0.00           H  
-HETATM  553  O   HOH A 185       8.788  15.575  -1.661  1.00  0.00           O  
-HETATM  554  H1  HOH A 185       8.658  16.301  -1.050  1.00  0.00           H  
-HETATM  555  H2  HOH A 185       9.354  14.964  -1.190  1.00  0.00           H  
-HETATM  556  O   HOH A 186      -5.203  15.146   5.599  1.00  0.00           O  
-HETATM  557  H1  HOH A 186      -4.434  15.016   6.154  1.00  0.00           H  
-HETATM  558  H2  HOH A 186      -5.427  16.070   5.712  1.00  0.00           H  
-HETATM  559  O   HOH A 187      22.068  15.302  13.021  1.00  0.00           O  
-HETATM  560  H1  HOH A 187      21.751  15.558  12.155  1.00  0.00           H  
-HETATM  561  H2  HOH A 187      21.383  15.594  13.623  1.00  0.00           H  
-HETATM  562  O   HOH A 188      -6.145   1.665  -9.728  1.00  0.00           O  
-HETATM  563  H1  HOH A 188      -6.802   1.757  -9.038  1.00  0.00           H  
-HETATM  564  H2  HOH A 188      -5.986   0.723  -9.784  1.00  0.00           H  
-HETATM  565  O   HOH A 189      22.307  18.331   4.239  1.00  0.00           O  
-HETATM  566  H1  HOH A 189      22.058  17.678   4.893  1.00  0.00           H  
-HETATM  567  H2  HOH A 189      21.526  18.873   4.132  1.00  0.00           H  
-HETATM  568  O   HOH A 190      20.799  21.783  -1.917  1.00  0.00           O  
-HETATM  569  H1  HOH A 190      21.199  22.604  -2.203  1.00  0.00           H  
-HETATM  570  H2  HOH A 190      19.858  21.926  -2.022  1.00  0.00           H  
-HETATM  571  O   HOH A 191      15.390  26.838  -6.023  1.00  0.00           O  
-HETATM  572  H1  HOH A 191      15.176  26.018  -6.468  1.00  0.00           H  
-HETATM  573  H2  HOH A 191      16.122  26.615  -5.448  1.00  0.00           H  
-HETATM  574  O   HOH A 192      -3.532  -7.074  12.845  1.00  0.00           O  
-HETATM  575  H1  HOH A 192      -4.261  -7.092  12.225  1.00  0.00           H  
-HETATM  576  H2  HOH A 192      -3.869  -7.512  13.626  1.00  0.00           H  
-HETATM  577  O   HOH A 193     -14.005  12.695  12.778  1.00  0.00           O  
-HETATM  578  H1  HOH A 193     -14.525  11.899  12.666  1.00  0.00           H  
-HETATM  579  H2  HOH A 193     -14.645  13.368  13.009  1.00  0.00           H  
-HETATM  580  O   HOH A 194      -8.419 -17.673   5.838  1.00  0.00           O  
-HETATM  581  H1  HOH A 194      -8.126 -16.807   6.120  1.00  0.00           H  
-HETATM  582  H2  HOH A 194      -9.369 -17.653   5.952  1.00  0.00           H  
-HETATM  583  O   HOH A 195      -4.151   9.432   1.927  1.00  0.00           O  
-HETATM  584  H1  HOH A 195      -3.986   8.490   1.970  1.00  0.00           H  
-HETATM  585  H2  HOH A 195      -4.882   9.520   1.315  1.00  0.00           H  
-HETATM  586  O   HOH A 196      -9.127   9.672 -16.301  1.00  0.00           O  
-HETATM  587  H1  HOH A 196      -9.258   9.164 -17.102  1.00  0.00           H  
-HETATM  588  H2  HOH A 196      -9.170  10.585 -16.586  1.00  0.00           H  
-HETATM  589  O   HOH A 197      10.535   8.067  -6.954  1.00  0.00           O  
-HETATM  590  H1  HOH A 197      11.127   8.309  -6.241  1.00  0.00           H  
-HETATM  591  H2  HOH A 197      10.655   8.755  -7.609  1.00  0.00           H  
-HETATM  592  O   HOH A 198      -2.306  -5.901 -16.232  1.00  0.00           O  
-HETATM  593  H1  HOH A 198      -1.553  -6.488 -16.293  1.00  0.00           H  
-HETATM  594  H2  HOH A 198      -2.419  -5.752 -15.293  1.00  0.00           H  
-HETATM  595  O   HOH A 199      20.099  12.043   8.822  1.00  0.00           O  
-HETATM  596  H1  HOH A 199      20.848  12.634   8.743  1.00  0.00           H  
-HETATM  597  H2  HOH A 199      19.540  12.451   9.483  1.00  0.00           H  
-HETATM  598  O   HOH A 200      12.557  -6.180   6.061  1.00  0.00           O  
-HETATM  599  H1  HOH A 200      13.004  -6.778   5.462  1.00  0.00           H  
-HETATM  600  H2  HOH A 200      12.847  -5.308   5.790  1.00  0.00           H  
-HETATM  601  O   HOH A 201       0.151  18.168  22.914  1.00  0.00           O  
-HETATM  602  H1  HOH A 201      -0.787  17.978  22.911  1.00  0.00           H  
-HETATM  603  H2  HOH A 201       0.495  17.690  22.159  1.00  0.00           H  
-HETATM  604  O   HOH A 202       5.086   8.817  15.455  1.00  0.00           O  
-HETATM  605  H1  HOH A 202       4.460   8.498  14.804  1.00  0.00           H  
-HETATM  606  H2  HOH A 202       4.797   9.709  15.648  1.00  0.00           H  
-HETATM  607  O   HOH A 203       8.595   2.433   3.316  1.00  0.00           O  
-HETATM  608  H1  HOH A 203       9.423   2.014   3.082  1.00  0.00           H  
-HETATM  609  H2  HOH A 203       8.849   3.179   3.860  1.00  0.00           H  
-HETATM  610  O   HOH A 204      -8.764  16.548   2.286  1.00  0.00           O  
-HETATM  611  H1  HOH A 204      -8.590  15.880   2.950  1.00  0.00           H  
-HETATM  612  H2  HOH A 204      -9.712  16.521   2.162  1.00  0.00           H  
-HETATM  613  O   HOH A 205     -17.932   8.408   2.860  1.00  0.00           O  
-HETATM  614  H1  HOH A 205     -17.059   8.526   3.233  1.00  0.00           H  
-HETATM  615  H2  HOH A 205     -17.836   7.677   2.249  1.00  0.00           H  
-HETATM  616  O   HOH A 206      -4.851   4.500  -9.536  1.00  0.00           O  
-HETATM  617  H1  HOH A 206      -3.963   4.265  -9.807  1.00  0.00           H  
-HETATM  618  H2  HOH A 206      -5.333   3.673  -9.554  1.00  0.00           H  
-HETATM  619  O   HOH A 207      11.257  21.829   7.253  1.00  0.00           O  
-HETATM  620  H1  HOH A 207      11.760  21.382   7.934  1.00  0.00           H  
-HETATM  621  H2  HOH A 207      10.668  22.411   7.733  1.00  0.00           H  
-HETATM  622  O   HOH A 208      -2.459   2.106  -2.191  1.00  0.00           O  
-HETATM  623  H1  HOH A 208      -2.703   1.861  -1.299  1.00  0.00           H  
-HETATM  624  H2  HOH A 208      -1.656   1.615  -2.364  1.00  0.00           H  
-HETATM  625  O   HOH A 209      14.815  15.607  -1.568  1.00  0.00           O  
-HETATM  626  H1  HOH A 209      14.835  14.754  -1.135  1.00  0.00           H  
-HETATM  627  H2  HOH A 209      14.054  15.564  -2.147  1.00  0.00           H  
-HETATM  628  O   HOH A 210      -5.098  12.805   8.665  1.00  0.00           O  
-HETATM  629  H1  HOH A 210      -5.585  12.172   9.192  1.00  0.00           H  
-HETATM  630  H2  HOH A 210      -5.232  12.518   7.761  1.00  0.00           H  
-HETATM  631  O   HOH A 211       5.159  18.374   8.422  1.00  0.00           O  
-HETATM  632  H1  HOH A 211       5.460  18.010   9.255  1.00  0.00           H  
-HETATM  633  H2  HOH A 211       4.769  19.217   8.655  1.00  0.00           H  
-HETATM  634  O   HOH A 212       8.820  16.008  11.361  1.00  0.00           O  
-HETATM  635  H1  HOH A 212       7.986  15.559  11.223  1.00  0.00           H  
-HETATM  636  H2  HOH A 212       9.481  15.323  11.259  1.00  0.00           H  
-HETATM  637  O   HOH A 213       0.931  -5.586   5.793  1.00  0.00           O  
-HETATM  638  H1  HOH A 213       1.032  -5.645   6.743  1.00  0.00           H  
-HETATM  639  H2  HOH A 213       1.284  -4.726   5.567  1.00  0.00           H  
-HETATM  640  O   HOH A 214       8.779 -13.492  15.698  1.00  0.00           O  
-HETATM  641  H1  HOH A 214       9.287 -12.871  16.220  1.00  0.00           H  
-HETATM  642  H2  HOH A 214       8.033 -13.718  16.252  1.00  0.00           H  
-HETATM  643  O   HOH A 215      -2.551   3.945   7.658  1.00  0.00           O  
-HETATM  644  H1  HOH A 215      -1.946   3.249   7.399  1.00  0.00           H  
-HETATM  645  H2  HOH A 215      -2.060   4.755   7.514  1.00  0.00           H  
-HETATM  646  O   HOH A 216      10.223   6.579  -1.004  1.00  0.00           O  
-HETATM  647  H1  HOH A 216      10.388   6.114  -0.184  1.00  0.00           H  
-HETATM  648  H2  HOH A 216      11.094   6.800  -1.334  1.00  0.00           H  
-TER     649      HOH A 216
-END
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/old-liquid.pdb b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/old-liquid.pdb
deleted file mode 100644
index 153b01203..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/old-liquid.pdb
+++ /dev/null
@@ -1,654 +0,0 @@
-TITLE     Generated by filecnv.py : Water Cubic Box (18.643 Ang, 216 AMOEBA)
-REMARK    THIS IS A SIMULATION BOX
-CRYST1   18.640   18.640   18.640  90.00  90.00  90.00 P 1           1
-MODEL        1
-ATOM      1  O   HOH     1       8.039   5.868   0.493  1.00  0.00            
-ATOM      2 H1   HOH     1       7.581   5.023   0.404  1.00  0.00            
-ATOM      3 H2   HOH     1       8.287   6.062  -0.397  1.00  0.00            
-ATOM      4  O   HOH     2       0.115  -8.877   6.446  1.00  0.00            
-ATOM      5 H1   HOH     2       0.959  -8.446   6.405  1.00  0.00            
-ATOM      6 H2   HOH     2       0.247  -9.794   6.138  1.00  0.00            
-ATOM      7  O   HOH     3      -6.576  -0.253   8.105  1.00  0.00            
-ATOM      8 H1   HOH     3      -6.646   0.690   7.896  1.00  0.00            
-ATOM      9 H2   HOH     3      -6.685  -0.401   9.104  1.00  0.00            
-ATOM     10  O   HOH     4       6.583   0.855  -6.669  1.00  0.00            
-ATOM     11 H1   HOH     4       6.260   0.887  -5.765  1.00  0.00            
-ATOM     12 H2   HOH     4       6.169   0.053  -7.054  1.00  0.00            
-ATOM     13  O   HOH     5       5.495   6.436   1.842  1.00  0.00            
-ATOM     14 H1   HOH     5       4.774   6.561   1.208  1.00  0.00            
-ATOM     15 H2   HOH     5       6.254   6.349   1.235  1.00  0.00            
-ATOM     16  O   HOH     6      -4.665  -8.502  -2.653  1.00  0.00            
-ATOM     17 H1   HOH     6      -4.505  -8.388  -3.607  1.00  0.00            
-ATOM     18 H2   HOH     6      -5.565  -8.751  -2.596  1.00  0.00            
-ATOM     19  O   HOH     7      -7.755  -4.661   4.905  1.00  0.00            
-ATOM     20 H1   HOH     7      -7.358  -5.440   5.311  1.00  0.00            
-ATOM     21 H2   HOH     7      -7.076  -4.177   4.404  1.00  0.00            
-ATOM     22  O   HOH     8      -0.282   7.487  -7.686  1.00  0.00            
-ATOM     23 H1   HOH     8      -0.794   7.446  -6.826  1.00  0.00            
-ATOM     24 H2   HOH     8       0.170   8.381  -7.637  1.00  0.00            
-ATOM     25  O   HOH     9      -3.711  -2.262  -1.917  1.00  0.00            
-ATOM     26 H1   HOH     9      -4.424  -2.426  -2.472  1.00  0.00            
-ATOM     27 H2   HOH     9      -4.023  -2.211  -0.972  1.00  0.00            
-ATOM     28  O   HOH    10      -5.812  -5.616   0.835  1.00  0.00            
-ATOM     29 H1   HOH    10      -6.676  -5.712   1.297  1.00  0.00            
-ATOM     30 H2   HOH    10      -5.143  -5.532   1.560  1.00  0.00            
-ATOM     31  O   HOH    11       8.528   5.000   3.444  1.00  0.00            
-ATOM     32 H1   HOH    11       8.866   4.760   4.341  1.00  0.00            
-ATOM     33 H2   HOH    11       7.683   4.540   3.378  1.00  0.00            
-ATOM     34  O   HOH    12       0.063   3.962  -6.445  1.00  0.00            
-ATOM     35 H1   HOH    12      -0.645   4.454  -6.001  1.00  0.00            
-ATOM     36 H2   HOH    12       0.070   3.123  -5.989  1.00  0.00            
-ATOM     37  O   HOH    13       0.169   6.582   6.098  1.00  0.00            
-ATOM     38 H1   HOH    13       0.291   6.371   7.040  1.00  0.00            
-ATOM     39 H2   HOH    13      -0.396   5.942   5.671  1.00  0.00            
-ATOM     40  O   HOH    14       3.739   6.291   8.132  1.00  0.00            
-ATOM     41 H1   HOH    14       4.150   6.101   9.011  1.00  0.00            
-ATOM     42 H2   HOH    14       4.395   5.921   7.527  1.00  0.00            
-ATOM     43  O   HOH    15       3.250   4.562  -2.564  1.00  0.00            
-ATOM     44 H1   HOH    15       3.743   4.531  -3.375  1.00  0.00            
-ATOM     45 H2   HOH    15       2.699   5.379  -2.486  1.00  0.00            
-ATOM     46  O   HOH    16       5.618   5.202   6.376  1.00  0.00            
-ATOM     47 H1   HOH    16       5.619   5.614   5.531  1.00  0.00            
-ATOM     48 H2   HOH    16       5.490   4.269   6.211  1.00  0.00            
-ATOM     49  O   HOH    17      -8.775   6.941  -6.178  1.00  0.00            
-ATOM     50 H1   HOH    17      -8.218   7.319  -5.471  1.00  0.00            
-ATOM     51 H2   HOH    17      -9.036   7.737  -6.649  1.00  0.00            
-ATOM     52  O   HOH    18      -6.941   2.249   7.194  1.00  0.00            
-ATOM     53 H1   HOH    18      -7.367   2.209   6.349  1.00  0.00            
-ATOM     54 H2   HOH    18      -7.415   2.897   7.720  1.00  0.00            
-ATOM     55  O   HOH    19       4.829  -0.184   3.152  1.00  0.00            
-ATOM     56 H1   HOH    19       5.557   0.243   2.724  1.00  0.00            
-ATOM     57 H2   HOH    19       4.135   0.501   3.237  1.00  0.00            
-ATOM     58  O   HOH    20      -2.202  -3.107   9.171  1.00  0.00            
-ATOM     59 H1   HOH    20      -2.320  -4.072   9.247  1.00  0.00            
-ATOM     60 H2   HOH    20      -2.802  -2.935   8.421  1.00  0.00            
-ATOM     61  O   HOH    21       1.689   6.673  -2.435  1.00  0.00            
-ATOM     62 H1   HOH    21       1.972   7.519  -2.054  1.00  0.00            
-ATOM     63 H2   HOH    21       0.874   6.423  -1.954  1.00  0.00            
-ATOM     64  O   HOH    22      -9.080  -6.244  -0.882  1.00  0.00            
-ATOM     65 H1   HOH    22      -8.673  -7.043  -0.480  1.00  0.00            
-ATOM     66 H2   HOH    22      -8.364  -5.814  -1.383  1.00  0.00            
-ATOM     67  O   HOH    23      -8.657  -8.654   0.563  1.00  0.00            
-ATOM     68 H1   HOH    23      -8.178  -9.465   0.842  1.00  0.00            
-ATOM     69 H2   HOH    23      -9.453  -8.686   1.056  1.00  0.00            
-ATOM     70  O   HOH    24      -5.772  -2.632  -4.588  1.00  0.00            
-ATOM     71 H1   HOH    24      -5.457  -3.169  -5.272  1.00  0.00            
-ATOM     72 H2   HOH    24      -5.550  -1.707  -4.739  1.00  0.00            
-ATOM     73  O   HOH    25       7.237  -8.468  -6.950  1.00  0.00            
-ATOM     74 H1   HOH    25       7.990  -8.965  -7.276  1.00  0.00            
-ATOM     75 H2   HOH    25       7.508  -8.173  -6.060  1.00  0.00            
-ATOM     76  O   HOH    26      -2.377  -6.252   1.292  1.00  0.00            
-ATOM     77 H1   HOH    26      -1.831  -6.216   0.487  1.00  0.00            
-ATOM     78 H2   HOH    26      -2.393  -5.371   1.645  1.00  0.00            
-ATOM     79  O   HOH    27       0.833  -5.019   5.432  1.00  0.00            
-ATOM     80 H1   HOH    27       1.092  -5.764   4.863  1.00  0.00            
-ATOM     81 H2   HOH    27       0.148  -5.508   5.955  1.00  0.00            
-ATOM     82  O   HOH    28       7.425  -2.742   0.838  1.00  0.00            
-ATOM     83 H1   HOH    28       6.867  -2.455   1.621  1.00  0.00            
-ATOM     84 H2   HOH    28       7.152  -3.642   0.725  1.00  0.00            
-ATOM     85  O   HOH    29      -0.251   8.631   2.286  1.00  0.00            
-ATOM     86 H1   HOH    29       0.096   9.072   1.496  1.00  0.00            
-ATOM     87 H2   HOH    29       0.451   8.716   2.905  1.00  0.00            
-ATOM     88  O   HOH    30       4.778   9.024   8.252  1.00  0.00            
-ATOM     89 H1   HOH    30       4.396   8.079   8.249  1.00  0.00            
-ATOM     90 H2   HOH    30       4.683   9.287   9.179  1.00  0.00            
-ATOM     91  O   HOH    31       8.220   9.015  -2.508  1.00  0.00            
-ATOM     92 H1   HOH    31       8.519   8.140  -2.217  1.00  0.00            
-ATOM     93 H2   HOH    31       7.640   9.201  -1.814  1.00  0.00            
-ATOM     94  O   HOH    32      -7.944   1.760   4.644  1.00  0.00            
-ATOM     95 H1   HOH    32      -7.921   2.353   3.866  1.00  0.00            
-ATOM     96 H2   HOH    32      -8.706   1.129   4.460  1.00  0.00            
-ATOM     97  O   HOH    33       3.243   3.821  -8.247  1.00  0.00            
-ATOM     98 H1   HOH    33       2.832   4.291  -7.488  1.00  0.00            
-ATOM     99 H2   HOH    33       2.768   2.984  -8.262  1.00  0.00            
-ATOM    100  O   HOH    34       7.558  -8.962   2.368  1.00  0.00            
-ATOM    101 H1   HOH    34       6.660  -8.703   2.710  1.00  0.00            
-ATOM    102 H2   HOH    34       8.154  -9.119   3.115  1.00  0.00            
-ATOM    103  O   HOH    35      -8.425   3.501  -4.439  1.00  0.00            
-ATOM    104 H1   HOH    35      -7.569   3.951  -4.471  1.00  0.00            
-ATOM    105 H2   HOH    35      -8.698   3.546  -5.370  1.00  0.00            
-ATOM    106  O   HOH    36       3.884  -4.850   6.532  1.00  0.00            
-ATOM    107 H1   HOH    36       4.124  -4.040   7.026  1.00  0.00            
-ATOM    108 H2   HOH    36       3.006  -4.640   6.051  1.00  0.00            
-ATOM    109  O   HOH    37       6.206  -5.083   4.954  1.00  0.00            
-ATOM    110 H1   HOH    37       6.896  -5.351   5.633  1.00  0.00            
-ATOM    111 H2   HOH    37       5.366  -5.112   5.464  1.00  0.00            
-ATOM    112  O   HOH    38       7.035  -5.175  -0.739  1.00  0.00            
-ATOM    113 H1   HOH    38       7.853  -5.654  -0.959  1.00  0.00            
-ATOM    114 H2   HOH    38       6.781  -4.792  -1.619  1.00  0.00            
-ATOM    115  O   HOH    39      -4.412  -4.775   3.088  1.00  0.00            
-ATOM    116 H1   HOH    39      -5.065  -4.108   3.116  1.00  0.00            
-ATOM    117 H2   HOH    39      -4.659  -5.257   3.876  1.00  0.00            
-ATOM    118  O   HOH    40      -9.194  -0.001  -2.536  1.00  0.00            
-ATOM    119 H1   HOH    40      -8.589  -0.704  -2.223  1.00  0.00            
-ATOM    120 H2   HOH    40      -8.744   0.832  -2.345  1.00  0.00            
-ATOM    121  O   HOH    41       5.087   2.357   5.594  1.00  0.00            
-ATOM    122 H1   HOH    41       4.145   2.609   5.868  1.00  0.00            
-ATOM    123 H2   HOH    41       5.185   1.494   5.856  1.00  0.00            
-ATOM    124  O   HOH    42      -4.683  -6.147  -1.679  1.00  0.00            
-ATOM    125 H1   HOH    42      -4.869  -5.961  -0.746  1.00  0.00            
-ATOM    126 H2   HOH    42      -4.916  -7.050  -1.813  1.00  0.00            
-ATOM    127  O   HOH    43      -3.179  -0.054  -3.640  1.00  0.00            
-ATOM    128 H1   HOH    43      -2.225  -0.245  -3.524  1.00  0.00            
-ATOM    129 H2   HOH    43      -3.604  -0.351  -2.841  1.00  0.00            
-ATOM    130  O   HOH    44       1.046   2.676  -2.268  1.00  0.00            
-ATOM    131 H1   HOH    44       1.843   3.245  -2.357  1.00  0.00            
-ATOM    132 H2   HOH    44       1.057   2.363  -1.383  1.00  0.00            
-ATOM    133  O   HOH    45      -1.412   4.165  -2.732  1.00  0.00            
-ATOM    134 H1   HOH    45      -0.521   3.698  -2.666  1.00  0.00            
-ATOM    135 H2   HOH    45      -1.383   4.769  -1.944  1.00  0.00            
-ATOM    136  O   HOH    46      -7.660  -2.122  -1.952  1.00  0.00            
-ATOM    137 H1   HOH    46      -8.019  -2.839  -1.356  1.00  0.00            
-ATOM    138 H2   HOH    46      -7.442  -2.604  -2.817  1.00  0.00            
-ATOM    139  O   HOH    47      -1.360   1.967   2.035  1.00  0.00            
-ATOM    140 H1   HOH    47      -1.620   2.869   2.312  1.00  0.00            
-ATOM    141 H2   HOH    47      -2.179   1.451   1.920  1.00  0.00            
-ATOM    142  O   HOH    48       6.290  -4.230  -7.656  1.00  0.00            
-ATOM    143 H1   HOH    48       6.233  -4.447  -6.717  1.00  0.00            
-ATOM    144 H2   HOH    48       6.335  -5.070  -8.050  1.00  0.00            
-ATOM    145  O   HOH    49       9.159  -0.398   3.519  1.00  0.00            
-ATOM    146 H1   HOH    49       9.889  -0.447   2.916  1.00  0.00            
-ATOM    147 H2   HOH    49       8.413  -0.023   2.971  1.00  0.00            
-ATOM    148  O   HOH    50       4.847  -0.826   6.008  1.00  0.00            
-ATOM    149 H1   HOH    50       3.902  -0.629   6.020  1.00  0.00            
-ATOM    150 H2   HOH    50       5.056  -0.799   5.078  1.00  0.00            
-ATOM    151  O   HOH    51      -7.285  -3.465   7.597  1.00  0.00            
-ATOM    152 H1   HOH    51      -7.607  -3.697   6.732  1.00  0.00            
-ATOM    153 H2   HOH    51      -7.133  -2.492   7.565  1.00  0.00            
-ATOM    154  O   HOH    52      -3.090  -3.803   6.552  1.00  0.00            
-ATOM    155 H1   HOH    52      -3.502  -4.557   6.104  1.00  0.00            
-ATOM    156 H2   HOH    52      -2.848  -3.218   5.793  1.00  0.00            
-ATOM    157  O   HOH    53      -0.628  -0.643  -0.688  1.00  0.00            
-ATOM    158 H1   HOH    53      -0.750   0.199  -0.182  1.00  0.00            
-ATOM    159 H2   HOH    53       0.325  -0.889  -0.564  1.00  0.00            
-ATOM    160  O   HOH    54       1.167  -6.679   1.145  1.00  0.00            
-ATOM    161 H1   HOH    54       0.652  -7.308   0.653  1.00  0.00            
-ATOM    162 H2   HOH    54       1.613  -6.178   0.472  1.00  0.00            
-ATOM    163  O   HOH    55       0.886  -7.185   3.758  1.00  0.00            
-ATOM    164 H1   HOH    55       1.236  -8.069   3.709  1.00  0.00            
-ATOM    165 H2   HOH    55       0.920  -6.831   2.841  1.00  0.00            
-ATOM    166  O   HOH    56       2.135   0.084   6.041  1.00  0.00            
-ATOM    167 H1   HOH    56       1.885   0.433   5.160  1.00  0.00            
-ATOM    168 H2   HOH    56       1.679  -0.767   6.079  1.00  0.00            
-ATOM    169  O   HOH    57       0.184   0.302   8.421  1.00  0.00            
-ATOM    170 H1   HOH    57      -0.716   0.418   8.707  1.00  0.00            
-ATOM    171 H2   HOH    57       0.445  -0.630   8.637  1.00  0.00            
-ATOM    172  O   HOH    58      -3.149  -1.997  -5.795  1.00  0.00            
-ATOM    173 H1   HOH    58      -3.232  -1.461  -5.013  1.00  0.00            
-ATOM    174 H2   HOH    58      -3.477  -1.481  -6.557  1.00  0.00            
-ATOM    175  O   HOH    59       2.201  -0.482  -6.617  1.00  0.00            
-ATOM    176 H1   HOH    59       1.368  -0.946  -6.453  1.00  0.00            
-ATOM    177 H2   HOH    59       2.705  -1.216  -6.954  1.00  0.00            
-ATOM    178  O   HOH    60      -1.572  -2.002   4.844  1.00  0.00            
-ATOM    179 H1   HOH    60      -0.747  -2.095   5.356  1.00  0.00            
-ATOM    180 H2   HOH    60      -1.852  -1.078   5.002  1.00  0.00            
-ATOM    181  O   HOH    61       5.400   6.380  -8.004  1.00  0.00            
-ATOM    182 H1   HOH    61       5.037   7.155  -7.526  1.00  0.00            
-ATOM    183 H2   HOH    61       5.148   5.594  -7.490  1.00  0.00            
-ATOM    184  O   HOH    62      -6.338   5.728  -1.743  1.00  0.00            
-ATOM    185 H1   HOH    62      -6.067   4.771  -1.768  1.00  0.00            
-ATOM    186 H2   HOH    62      -5.664   6.129  -2.295  1.00  0.00            
-ATOM    187  O   HOH    63      -2.100  -2.775   0.706  1.00  0.00            
-ATOM    188 H1   HOH    63      -1.406  -3.020   1.364  1.00  0.00            
-ATOM    189 H2   HOH    63      -1.688  -2.182   0.070  1.00  0.00            
-ATOM    190  O   HOH    64      -0.008   5.633   1.418  1.00  0.00            
-ATOM    191 H1   HOH    64      -0.737   5.003   1.551  1.00  0.00            
-ATOM    192 H2   HOH    64      -0.256   6.473   1.771  1.00  0.00            
-ATOM    193  O   HOH    65       3.960  -1.908  -1.971  1.00  0.00            
-ATOM    194 H1   HOH    65       4.389  -1.569  -1.158  1.00  0.00            
-ATOM    195 H2   HOH    65       3.764  -1.183  -2.532  1.00  0.00            
-ATOM    196  O   HOH    66       0.396  -2.409   8.942  1.00  0.00            
-ATOM    197 H1   HOH    66      -0.496  -2.716   8.996  1.00  0.00            
-ATOM    198 H2   HOH    66       0.843  -2.715   9.772  1.00  0.00            
-ATOM    199  O   HOH    67      -5.904  -3.598  -7.198  1.00  0.00            
-ATOM    200 H1   HOH    67      -5.391  -4.021  -7.836  1.00  0.00            
-ATOM    201 H2   HOH    67      -6.856  -3.905  -7.407  1.00  0.00            
-ATOM    202  O   HOH    68       4.776   3.286  -0.543  1.00  0.00            
-ATOM    203 H1   HOH    68       4.503   3.668  -1.420  1.00  0.00            
-ATOM    204 H2   HOH    68       4.308   3.804   0.151  1.00  0.00            
-ATOM    205  O   HOH    69       1.810   1.667  -8.491  1.00  0.00            
-ATOM    206 H1   HOH    69       1.048   1.572  -9.074  1.00  0.00            
-ATOM    207 H2   HOH    69       1.737   0.971  -7.784  1.00  0.00            
-ATOM    208  O   HOH    70      -6.984   8.521   4.996  1.00  0.00            
-ATOM    209 H1   HOH    70      -6.319   9.034   4.547  1.00  0.00            
-ATOM    210 H2   HOH    70      -6.786   7.567   5.127  1.00  0.00            
-ATOM    211  O   HOH    71       8.036  -7.667   5.624  1.00  0.00            
-ATOM    212 H1   HOH    71       8.944  -7.942   5.438  1.00  0.00            
-ATOM    213 H2   HOH    71       8.006  -7.115   6.374  1.00  0.00            
-ATOM    214  O   HOH    72      -2.369   4.402   2.749  1.00  0.00            
-ATOM    215 H1   HOH    72      -2.101   4.193   3.659  1.00  0.00            
-ATOM    216 H2   HOH    72      -3.291   4.630   2.773  1.00  0.00            
-ATOM    217  O   HOH    73       7.332   0.910   8.635  1.00  0.00            
-ATOM    218 H1   HOH    73       6.493   0.534   8.784  1.00  0.00            
-ATOM    219 H2   HOH    73       7.141   1.869   8.632  1.00  0.00            
-ATOM    220  O   HOH    74       0.369   1.474   4.008  1.00  0.00            
-ATOM    221 H1   HOH    74      -0.105   1.445   4.853  1.00  0.00            
-ATOM    222 H2   HOH    74      -0.369   1.533   3.336  1.00  0.00            
-ATOM    223  O   HOH    75       5.767  -9.208   5.731  1.00  0.00            
-ATOM    224 H1   HOH    75       5.445  -9.395   6.580  1.00  0.00            
-ATOM    225 H2   HOH    75       6.702  -8.805   5.685  1.00  0.00            
-ATOM    226  O   HOH    76       4.162  -2.372   0.781  1.00  0.00            
-ATOM    227 H1   HOH    76       4.495  -2.247   1.647  1.00  0.00            
-ATOM    228 H2   HOH    76       3.609  -3.133   0.711  1.00  0.00            
-ATOM    229  O   HOH    77      -1.983  -6.868  -7.665  1.00  0.00            
-ATOM    230 H1   HOH    77      -1.149  -6.836  -8.203  1.00  0.00            
-ATOM    231 H2   HOH    77      -2.094  -5.962  -7.318  1.00  0.00            
-ATOM    232  O   HOH    78      -4.374  -7.889   1.779  1.00  0.00            
-ATOM    233 H1   HOH    78      -3.642  -7.300   1.538  1.00  0.00            
-ATOM    234 H2   HOH    78      -5.071  -7.407   1.392  1.00  0.00            
-ATOM    235  O   HOH    79       5.161   6.852   4.554  1.00  0.00            
-ATOM    236 H1   HOH    79       5.392   7.675   4.897  1.00  0.00            
-ATOM    237 H2   HOH    79       5.444   6.815   3.631  1.00  0.00            
-ATOM    238  O   HOH    80      -9.138   9.041  -8.058  1.00  0.00            
-ATOM    239 H1   HOH    80      -8.630   9.855  -7.946  1.00  0.00            
-ATOM    240 H2   HOH    80      -9.127   8.772  -9.011  1.00  0.00            
-ATOM    241  O   HOH    81      -5.687  -0.393   5.354  1.00  0.00            
-ATOM    242 H1   HOH    81      -6.067   0.366   4.992  1.00  0.00            
-ATOM    243 H2   HOH    81      -5.831  -0.447   6.338  1.00  0.00            
-ATOM    244  O   HOH    82       1.031   2.281   0.575  1.00  0.00            
-ATOM    245 H1   HOH    82       0.182   2.216   1.029  1.00  0.00            
-ATOM    246 H2   HOH    82       1.469   3.073   0.944  1.00  0.00            
-ATOM    247  O   HOH    83      -5.344  -9.069  -7.701  1.00  0.00            
-ATOM    248 H1   HOH    83      -6.076  -8.559  -8.046  1.00  0.00            
-ATOM    249 H2   HOH    83      -5.531  -9.974  -8.022  1.00  0.00            
-ATOM    250  O   HOH    84       1.744  -4.694  -7.741  1.00  0.00            
-ATOM    251 H1   HOH    84       1.332  -4.686  -6.836  1.00  0.00            
-ATOM    252 H2   HOH    84       2.349  -3.997  -7.787  1.00  0.00            
-ATOM    253  O   HOH    85       5.038   8.639  -6.175  1.00  0.00            
-ATOM    254 H1   HOH    85       5.785   9.177  -6.374  1.00  0.00            
-ATOM    255 H2   HOH    85       5.210   8.228  -5.345  1.00  0.00            
-ATOM    256  O   HOH    86      -0.023   8.844  -3.570  1.00  0.00            
-ATOM    257 H1   HOH    86      -0.459   9.203  -4.426  1.00  0.00            
-ATOM    258 H2   HOH    86       0.776   8.381  -3.782  1.00  0.00            
-ATOM    259  O   HOH    87      -1.668  -9.035  -5.632  1.00  0.00            
-ATOM    260 H1   HOH    87      -1.508  -8.745  -6.515  1.00  0.00            
-ATOM    261 H2   HOH    87      -2.505  -8.575  -5.447  1.00  0.00            
-ATOM    262  O   HOH    88      -1.025  -4.139   2.924  1.00  0.00            
-ATOM    263 H1   HOH    88      -1.638  -3.581   3.380  1.00  0.00            
-ATOM    264 H2   HOH    88      -0.344  -4.419   3.603  1.00  0.00            
-ATOM    265  O   HOH    89       6.772  -9.275  -0.062  1.00  0.00            
-ATOM    266 H1   HOH    89       6.321  -8.407   0.016  1.00  0.00            
-ATOM    267 H2   HOH    89       7.220  -9.351   0.768  1.00  0.00            
-ATOM    268  O   HOH    90      -5.260   5.074   2.814  1.00  0.00            
-ATOM    269 H1   HOH    90      -5.317   5.651   2.001  1.00  0.00            
-ATOM    270 H2   HOH    90      -5.953   4.419   2.667  1.00  0.00            
-ATOM    271  O   HOH    91       0.439  -7.109  -3.006  1.00  0.00            
-ATOM    272 H1   HOH    91       0.122  -6.760  -2.168  1.00  0.00            
-ATOM    273 H2   HOH    91       0.300  -8.047  -3.005  1.00  0.00            
-ATOM    274  O   HOH    92       4.754   0.068  -8.893  1.00  0.00            
-ATOM    275 H1   HOH    92       4.497  -0.819  -8.504  1.00  0.00            
-ATOM    276 H2   HOH    92       3.924   0.546  -9.098  1.00  0.00            
-ATOM    277  O   HOH    93       8.453  -3.238   4.470  1.00  0.00            
-ATOM    278 H1   HOH    93       8.534  -2.386   4.151  1.00  0.00            
-ATOM    279 H2   HOH    93       9.380  -3.622   4.525  1.00  0.00            
-ATOM    280  O   HOH    94      -8.562  -3.354  -5.396  1.00  0.00            
-ATOM    281 H1   HOH    94      -8.983  -3.218  -6.264  1.00  0.00            
-ATOM    282 H2   HOH    94      -7.657  -3.008  -5.367  1.00  0.00            
-ATOM    283  O   HOH    95      -4.087  -7.007   9.259  1.00  0.00            
-ATOM    284 H1   HOH    95      -4.504  -7.764   9.701  1.00  0.00            
-ATOM    285 H2   HOH    95      -3.209  -6.941   9.653  1.00  0.00            
-ATOM    286  O   HOH    96      -2.961   2.902  -4.614  1.00  0.00            
-ATOM    287 H1   HOH    96      -3.009   1.975  -4.316  1.00  0.00            
-ATOM    288 H2   HOH    96      -2.450   3.376  -3.907  1.00  0.00            
-ATOM    289  O   HOH    97      -8.496  -3.305   0.422  1.00  0.00            
-ATOM    290 H1   HOH    97      -8.208  -3.909   1.155  1.00  0.00            
-ATOM    291 H2   HOH    97      -9.382  -3.162   0.529  1.00  0.00            
-ATOM    292  O   HOH    98      -8.646   7.535   1.955  1.00  0.00            
-ATOM    293 H1   HOH    98      -9.207   6.758   1.900  1.00  0.00            
-ATOM    294 H2   HOH    98      -8.931   7.852   2.808  1.00  0.00            
-ATOM    295  O   HOH    99       5.325   0.684  -1.143  1.00  0.00            
-ATOM    296 H1   HOH    99       6.163   0.574  -0.698  1.00  0.00            
-ATOM    297 H2   HOH    99       4.928   1.523  -0.792  1.00  0.00            
-ATOM    298  O   HOH   100      -0.302   3.603  -9.202  1.00  0.00            
-ATOM    299 H1   HOH   100       0.254   4.336  -9.458  1.00  0.00            
-ATOM    300 H2   HOH   100      -0.128   3.520  -8.233  1.00  0.00            
-ATOM    301  O   HOH   101      -7.609  -7.414  -7.642  1.00  0.00            
-ATOM    302 H1   HOH   101      -7.583  -6.832  -8.402  1.00  0.00            
-ATOM    303 H2   HOH   101      -7.817  -6.856  -6.873  1.00  0.00            
-ATOM    304  O   HOH   102      -7.162  -0.866  -7.830  1.00  0.00            
-ATOM    305 H1   HOH   102      -6.916  -1.664  -7.366  1.00  0.00            
-ATOM    306 H2   HOH   102      -8.117  -0.865  -7.738  1.00  0.00            
-ATOM    307  O   HOH   103       8.628  -2.873  -7.501  1.00  0.00            
-ATOM    308 H1   HOH   103       8.430  -2.014  -7.969  1.00  0.00            
-ATOM    309 H2   HOH   103       7.755  -3.342  -7.575  1.00  0.00            
-ATOM    310  O   HOH   104       0.296  -6.725  -9.137  1.00  0.00            
-ATOM    311 H1   HOH   104       0.011  -6.271  -9.953  1.00  0.00            
-ATOM    312 H2   HOH   104       0.802  -5.981  -8.711  1.00  0.00            
-ATOM    313  O   HOH   105      -2.283   4.666   7.799  1.00  0.00            
-ATOM    314 H1   HOH   105      -2.473   5.640   7.876  1.00  0.00            
-ATOM    315 H2   HOH   105      -1.790   4.332   8.562  1.00  0.00            
-ATOM    316  O   HOH   106      -5.132  -2.648   0.721  1.00  0.00            
-ATOM    317 H1   HOH   106      -4.418  -2.848   1.417  1.00  0.00            
-ATOM    318 H2   HOH   106      -5.583  -3.451   0.568  1.00  0.00            
-ATOM    319  O   HOH   107       3.597  -7.110  -8.571  1.00  0.00            
-ATOM    320 H1   HOH   107       3.557  -6.612  -7.707  1.00  0.00            
-ATOM    321 H2   HOH   107       2.931  -6.774  -9.116  1.00  0.00            
-ATOM    322  O   HOH   108      -8.608  -8.319   3.526  1.00  0.00            
-ATOM    323 H1   HOH   108      -7.992  -8.997   3.888  1.00  0.00            
-ATOM    324 H2   HOH   108      -8.438  -8.243   2.566  1.00  0.00            
-ATOM    325  O   HOH   109      -6.941   8.524  -4.898  1.00  0.00            
-ATOM    326 H1   HOH   109      -6.037   8.201  -4.795  1.00  0.00            
-ATOM    327 H2   HOH   109      -6.826   9.016  -5.706  1.00  0.00            
-ATOM    328  O   HOH   110      -8.618   2.117   0.328  1.00  0.00            
-ATOM    329 H1   HOH   110      -9.507   2.587   0.268  1.00  0.00            
-ATOM    330 H2   HOH   110      -8.802   1.370   0.915  1.00  0.00            
-ATOM    331  O   HOH   111      -6.703  -7.096   5.720  1.00  0.00            
-ATOM    332 H1   HOH   111      -6.345  -7.797   5.144  1.00  0.00            
-ATOM    333 H2   HOH   111      -7.115  -7.623   6.408  1.00  0.00            
-ATOM    334  O   HOH   112      -4.243   1.635  -7.536  1.00  0.00            
-ATOM    335 H1   HOH   112      -3.372   1.373  -7.866  1.00  0.00            
-ATOM    336 H2   HOH   112      -4.520   2.387  -8.161  1.00  0.00            
-ATOM    337  O   HOH   113      -4.209  -8.163  -5.306  1.00  0.00            
-ATOM    338 H1   HOH   113      -4.273  -7.181  -5.411  1.00  0.00            
-ATOM    339 H2   HOH   113      -4.501  -8.381  -6.200  1.00  0.00            
-ATOM    340  O   HOH   114       6.037   3.308  -8.447  1.00  0.00            
-ATOM    341 H1   HOH   114       5.046   3.370  -8.401  1.00  0.00            
-ATOM    342 H2   HOH   114       6.249   2.483  -8.061  1.00  0.00            
-ATOM    343  O   HOH   115       1.855  -0.633   0.513  1.00  0.00            
-ATOM    344 H1   HOH   115       2.810  -0.778   0.512  1.00  0.00            
-ATOM    345 H2   HOH   115       1.713   0.210   0.906  1.00  0.00            
-ATOM    346  O   HOH   116      -0.350  -0.799  -3.447  1.00  0.00            
-ATOM    347 H1   HOH   116      -0.639  -0.602  -2.521  1.00  0.00            
-ATOM    348 H2   HOH   116      -0.468  -1.735  -3.577  1.00  0.00            
-ATOM    349  O   HOH   117       2.557   6.236   4.285  1.00  0.00            
-ATOM    350 H1   HOH   117       1.909   6.451   4.910  1.00  0.00            
-ATOM    351 H2   HOH   117       3.454   6.494   4.590  1.00  0.00            
-ATOM    352  O   HOH   118      -7.374  -8.763  -2.641  1.00  0.00            
-ATOM    353 H1   HOH   118      -7.322  -9.154  -3.510  1.00  0.00            
-ATOM    354 H2   HOH   118      -7.997  -9.286  -2.168  1.00  0.00            
-ATOM    355  O   HOH   119       5.102  -2.717   7.917  1.00  0.00            
-ATOM    356 H1   HOH   119       5.105  -2.075   7.214  1.00  0.00            
-ATOM    357 H2   HOH   119       5.997  -3.082   7.930  1.00  0.00            
-ATOM    358  O   HOH   120       0.617  -6.049  -5.430  1.00  0.00            
-ATOM    359 H1   HOH   120       0.065  -6.639  -5.953  1.00  0.00            
-ATOM    360 H2   HOH   120       0.625  -6.347  -4.518  1.00  0.00            
-ATOM    361  O   HOH   121      -5.018   6.814  -8.879  1.00  0.00            
-ATOM    362 H1   HOH   121      -4.047   6.554  -8.848  1.00  0.00            
-ATOM    363 H2   HOH   121      -5.495   6.325  -8.167  1.00  0.00            
-ATOM    364  O   HOH   122      -3.571   8.179   1.037  1.00  0.00            
-ATOM    365 H1   HOH   122      -4.358   7.666   0.884  1.00  0.00            
-ATOM    366 H2   HOH   122      -3.813   9.131   1.289  1.00  0.00            
-ATOM    367  O   HOH   123      -1.089   6.429  -1.100  1.00  0.00            
-ATOM    368 H1   HOH   123      -0.958   6.512  -0.129  1.00  0.00            
-ATOM    369 H2   HOH   123      -1.425   7.353  -1.265  1.00  0.00            
-ATOM    370  O   HOH   124      -8.068   3.899  -9.306  1.00  0.00            
-ATOM    371 H1   HOH   124      -8.429   4.769  -9.587  1.00  0.00            
-ATOM    372 H2   HOH   124      -7.407   4.106  -8.627  1.00  0.00            
-ATOM    373  O   HOH   125      -7.322  -0.835   1.865  1.00  0.00            
-ATOM    374 H1   HOH   125      -6.633  -0.258   1.516  1.00  0.00            
-ATOM    375 H2   HOH   125      -7.594  -1.468   1.181  1.00  0.00            
-ATOM    376  O   HOH   126       6.137  -3.751  -2.944  1.00  0.00            
-ATOM    377 H1   HOH   126       5.314  -3.197  -2.837  1.00  0.00            
-ATOM    378 H2   HOH   126       6.747  -3.054  -3.268  1.00  0.00            
-ATOM    379  O   HOH   127       2.833   7.012   0.636  1.00  0.00            
-ATOM    380 H1   HOH   127       2.330   7.844   0.881  1.00  0.00            
-ATOM    381 H2   HOH   127       2.160   6.335   0.437  1.00  0.00            
-ATOM    382  O   HOH   128       3.405  -5.843  -5.838  1.00  0.00            
-ATOM    383 H1   HOH   128       4.240  -5.687  -5.479  1.00  0.00            
-ATOM    384 H2   HOH   128       2.799  -5.627  -5.149  1.00  0.00            
-ATOM    385  O   HOH   129       4.865   3.938  -5.085  1.00  0.00            
-ATOM    386 H1   HOH   129       4.895   2.983  -5.154  1.00  0.00            
-ATOM    387 H2   HOH   129       5.751   4.278  -4.809  1.00  0.00            
-ATOM    388  O   HOH   130      -4.993  -8.656   4.141  1.00  0.00            
-ATOM    389 H1   HOH   130      -4.097  -9.036   4.154  1.00  0.00            
-ATOM    390 H2   HOH   130      -5.019  -8.186   3.285  1.00  0.00            
-ATOM    391  O   HOH   131      -9.292  -0.951   7.718  1.00  0.00            
-ATOM    392 H1   HOH   131     -10.069  -0.492   8.136  1.00  0.00            
-ATOM    393 H2   HOH   131      -8.538  -0.352   7.799  1.00  0.00            
-ATOM    394  O   HOH   132       5.820  -2.735   3.218  1.00  0.00            
-ATOM    395 H1   HOH   132       5.911  -2.123   3.919  1.00  0.00            
-ATOM    396 H2   HOH   132       6.270  -3.544   3.552  1.00  0.00            
-ATOM    397  O   HOH   133      -4.387   7.103  -3.444  1.00  0.00            
-ATOM    398 H1   HOH   133      -3.580   6.680  -3.829  1.00  0.00            
-ATOM    399 H2   HOH   133      -3.958   7.858  -3.002  1.00  0.00            
-ATOM    400  O   HOH   134       3.032   2.055   3.352  1.00  0.00            
-ATOM    401 H1   HOH   134       2.047   2.003   3.380  1.00  0.00            
-ATOM    402 H2   HOH   134       3.178   2.614   4.097  1.00  0.00            
-ATOM    403  O   HOH   135       7.314   1.186   2.187  1.00  0.00            
-ATOM    404 H1   HOH   135       6.925   2.076   2.385  1.00  0.00            
-ATOM    405 H2   HOH   135       7.425   1.106   1.167  1.00  0.00            
-ATOM    406  O   HOH   136       3.077  -6.778  -0.693  1.00  0.00            
-ATOM    407 H1   HOH   136       3.016  -7.565  -1.263  1.00  0.00            
-ATOM    408 H2   HOH   136       3.761  -6.920  -0.021  1.00  0.00            
-ATOM    409  O   HOH   137       0.482   1.499  -4.856  1.00  0.00            
-ATOM    410 H1   HOH   137       0.708   1.788  -4.008  1.00  0.00            
-ATOM    411 H2   HOH   137      -0.146   0.779  -4.804  1.00  0.00            
-ATOM    412  O   HOH   138       2.657  -0.480  -3.924  1.00  0.00            
-ATOM    413 H1   HOH   138       2.571  -0.270  -4.891  1.00  0.00            
-ATOM    414 H2   HOH   138       1.808  -0.171  -3.595  1.00  0.00            
-ATOM    415  O   HOH   139       7.359   3.219   0.063  1.00  0.00            
-ATOM    416 H1   HOH   139       7.531   3.124  -0.908  1.00  0.00            
-ATOM    417 H2   HOH   139       6.413   3.324   0.053  1.00  0.00            
-ATOM    418  O   HOH   140      -0.072  -2.194  -6.704  1.00  0.00            
-ATOM    419 H1   HOH   140      -0.799  -2.260  -7.333  1.00  0.00            
-ATOM    420 H2   HOH   140      -0.033  -2.956  -6.170  1.00  0.00            
-ATOM    421  O   HOH   141       8.018   3.334  -2.584  1.00  0.00            
-ATOM    422 H1   HOH   141       8.927   3.176  -2.999  1.00  0.00            
-ATOM    423 H2   HOH   141       7.714   4.088  -3.149  1.00  0.00            
-ATOM    424  O   HOH   142      -3.175   0.372   5.085  1.00  0.00            
-ATOM    425 H1   HOH   142      -3.328   1.279   5.414  1.00  0.00            
-ATOM    426 H2   HOH   142      -4.044  -0.022   5.216  1.00  0.00            
-ATOM    427  O   HOH   143       7.709  -1.775  -4.109  1.00  0.00            
-ATOM    428 H1   HOH   143       8.092  -0.993  -3.608  1.00  0.00            
-ATOM    429 H2   HOH   143       8.479  -2.226  -4.429  1.00  0.00            
-ATOM    430  O   HOH   144      -5.099   6.527   5.166  1.00  0.00            
-ATOM    431 H1   HOH   144      -4.189   6.950   5.093  1.00  0.00            
-ATOM    432 H2   HOH   144      -5.207   6.061   4.289  1.00  0.00            
-ATOM    433  O   HOH   145       8.893  -0.159  -7.906  1.00  0.00            
-ATOM    434 H1   HOH   145       8.405   0.225  -7.122  1.00  0.00            
-ATOM    435 H2   HOH   145       8.639   0.460  -8.570  1.00  0.00            
-ATOM    436  O   HOH   146      -4.263  -5.454  -5.270  1.00  0.00            
-ATOM    437 H1   HOH   146      -3.405  -5.209  -5.564  1.00  0.00            
-ATOM    438 H2   HOH   146      -4.911  -5.251  -5.952  1.00  0.00            
-ATOM    439  O   HOH   147       8.883   7.851   4.742  1.00  0.00            
-ATOM    440 H1   HOH   147       9.674   8.080   5.221  1.00  0.00            
-ATOM    441 H2   HOH   147       8.345   7.269   5.297  1.00  0.00            
-ATOM    442  O   HOH   148      -0.309  -5.404  -0.774  1.00  0.00            
-ATOM    443 H1   HOH   148       0.249  -4.705  -0.532  1.00  0.00            
-ATOM    444 H2   HOH   148      -1.094  -5.121  -1.264  1.00  0.00            
-ATOM    445  O   HOH   149       5.072  -8.090   3.321  1.00  0.00            
-ATOM    446 H1   HOH   149       5.125  -8.433   4.296  1.00  0.00            
-ATOM    447 H2   HOH   149       4.846  -7.155   3.366  1.00  0.00            
-ATOM    448  O   HOH   150       0.710  -8.627  -7.212  1.00  0.00            
-ATOM    449 H1   HOH   150       0.882  -8.127  -7.970  1.00  0.00            
-ATOM    450 H2   HOH   150       1.486  -8.744  -6.660  1.00  0.00            
-ATOM    451  O   HOH   151      -2.726   8.212   4.098  1.00  0.00            
-ATOM    452 H1   HOH   151      -1.889   7.861   4.444  1.00  0.00            
-ATOM    453 H2   HOH   151      -2.726   8.156   3.075  1.00  0.00            
-ATOM    454  O   HOH   152      -2.367   7.081   9.006  1.00  0.00            
-ATOM    455 H1   HOH   152      -1.709   7.028   9.733  1.00  0.00            
-ATOM    456 H2   HOH   152      -2.233   8.060   8.705  1.00  0.00            
-ATOM    457  O   HOH   153       6.090  -5.347  -5.159  1.00  0.00            
-ATOM    458 H1   HOH   153       6.663  -6.118  -4.931  1.00  0.00            
-ATOM    459 H2   HOH   153       6.130  -4.741  -4.369  1.00  0.00            
-ATOM    460  O   HOH   154      -6.943   5.559  -7.275  1.00  0.00            
-ATOM    461 H1   HOH   154      -6.852   5.143  -6.441  1.00  0.00            
-ATOM    462 H2   HOH   154      -7.722   6.088  -7.135  1.00  0.00            
-ATOM    463  O   HOH   155      -6.554   5.680   7.665  1.00  0.00            
-ATOM    464 H1   HOH   155      -5.985   5.815   6.863  1.00  0.00            
-ATOM    465 H2   HOH   155      -6.073   6.260   8.297  1.00  0.00            
-ATOM    466  O   HOH   156      -1.773  -7.513   4.829  1.00  0.00            
-ATOM    467 H1   HOH   156      -1.111  -7.160   4.268  1.00  0.00            
-ATOM    468 H2   HOH   156      -1.281  -8.206   5.239  1.00  0.00            
-ATOM    469  O   HOH   157       5.088  -1.778  -5.553  1.00  0.00            
-ATOM    470 H1   HOH   157       4.758  -1.676  -4.673  1.00  0.00            
-ATOM    471 H2   HOH   157       6.001  -1.657  -5.464  1.00  0.00            
-ATOM    472  O   HOH   158       7.974  -0.053  -0.228  1.00  0.00            
-ATOM    473 H1   HOH   158       7.544  -0.925  -0.027  1.00  0.00            
-ATOM    474 H2   HOH   158       8.404  -0.258  -1.091  1.00  0.00            
-ATOM    475  O   HOH   159       2.481  -4.518  -2.565  1.00  0.00            
-ATOM    476 H1   HOH   159       2.654  -5.131  -1.870  1.00  0.00            
-ATOM    477 H2   HOH   159       2.866  -3.653  -2.218  1.00  0.00            
-ATOM    478  O   HOH   160       8.941   6.414  -2.284  1.00  0.00            
-ATOM    479 H1   HOH   160       8.639   5.765  -2.912  1.00  0.00            
-ATOM    480 H2   HOH   160       9.870   6.369  -2.209  1.00  0.00            
-ATOM    481  O   HOH   161      -5.030   3.860  -9.133  1.00  0.00            
-ATOM    482 H1   HOH   161      -4.276   4.457  -8.996  1.00  0.00            
-ATOM    483 H2   HOH   161      -5.711   4.362  -9.608  1.00  0.00            
-ATOM    484  O   HOH   162      -5.791   3.147  -1.317  1.00  0.00            
-ATOM    485 H1   HOH   162      -6.436   2.378  -1.382  1.00  0.00            
-ATOM    486 H2   HOH   162      -5.191   2.984  -0.504  1.00  0.00            
-ATOM    487  O   HOH   163      -2.329  -4.533  -2.630  1.00  0.00            
-ATOM    488 H1   HOH   163      -3.171  -5.058  -2.576  1.00  0.00            
-ATOM    489 H2   HOH   163      -2.499  -3.672  -2.246  1.00  0.00            
-ATOM    490  O   HOH   164       7.390   6.060   8.753  1.00  0.00            
-ATOM    491 H1   HOH   164       6.851   5.658   8.039  1.00  0.00            
-ATOM    492 H2   HOH   164       6.789   6.249   9.485  1.00  0.00            
-ATOM    493  O   HOH   165      -1.734  -4.483  -6.269  1.00  0.00            
-ATOM    494 H1   HOH   165      -1.212  -4.704  -5.518  1.00  0.00            
-ATOM    495 H2   HOH   165      -2.176  -3.710  -5.905  1.00  0.00            
-ATOM    496  O   HOH   166      -0.979   4.105   5.515  1.00  0.00            
-ATOM    497 H1   HOH   166      -1.509   4.308   6.292  1.00  0.00            
-ATOM    498 H2   HOH   166      -0.221   3.585   5.863  1.00  0.00            
-ATOM    499  O   HOH   167      -2.925   4.250  -7.055  1.00  0.00            
-ATOM    500 H1   HOH   167      -2.386   3.828  -7.713  1.00  0.00            
-ATOM    501 H2   HOH   167      -2.854   3.619  -6.304  1.00  0.00            
-ATOM    502  O   HOH   168      -4.193  -1.077  -8.101  1.00  0.00            
-ATOM    503 H1   HOH   168      -4.551  -1.839  -8.506  1.00  0.00            
-ATOM    504 H2   HOH   168      -4.698  -0.329  -8.425  1.00  0.00            
-ATOM    505  O   HOH   169      -8.302  -5.937  -5.244  1.00  0.00            
-ATOM    506 H1   HOH   169      -8.357  -5.005  -5.460  1.00  0.00            
-ATOM    507 H2   HOH   169      -7.765  -5.968  -4.487  1.00  0.00            
-ATOM    508  O   HOH   170       0.475   2.499   7.103  1.00  0.00            
-ATOM    509 H1   HOH   170       0.053   2.668   8.005  1.00  0.00            
-ATOM    510 H2   HOH   170       0.928   1.639   7.275  1.00  0.00            
-ATOM    511  O   HOH   171       0.983  -2.483   6.222  1.00  0.00            
-ATOM    512 H1   HOH   171       0.714  -2.387   7.103  1.00  0.00            
-ATOM    513 H2   HOH   171       1.073  -3.395   5.953  1.00  0.00            
-ATOM    514  O   HOH   172      -1.739   6.386  -4.380  1.00  0.00            
-ATOM    515 H1   HOH   172      -1.086   7.088  -4.202  1.00  0.00            
-ATOM    516 H2   HOH   172      -1.618   5.678  -3.708  1.00  0.00            
-ATOM    517  O   HOH   173      -8.338  -7.832   7.971  1.00  0.00            
-ATOM    518 H1   HOH   173      -8.660  -8.718   7.769  1.00  0.00            
-ATOM    519 H2   HOH   173      -9.133  -7.191   7.981  1.00  0.00            
-ATOM    520  O   HOH   174       3.012   4.410   1.775  1.00  0.00            
-ATOM    521 H1   HOH   174       3.088   3.596   2.267  1.00  0.00            
-ATOM    522 H2   HOH   174       2.920   5.066   2.466  1.00  0.00            
-ATOM    523  O   HOH   175       3.835  -2.844  -8.396  1.00  0.00            
-ATOM    524 H1   HOH   175       4.123  -2.941  -9.341  1.00  0.00            
-ATOM    525 H2   HOH   175       4.550  -3.355  -7.864  1.00  0.00            
-ATOM    526  O   HOH   176       5.454   1.225  -4.087  1.00  0.00            
-ATOM    527 H1   HOH   176       6.075   1.634  -3.481  1.00  0.00            
-ATOM    528 H2   HOH   176       4.836   0.886  -3.441  1.00  0.00            
-ATOM    529  O   HOH   177       1.364  -3.319   1.034  1.00  0.00            
-ATOM    530 H1   HOH   177       1.576  -2.519   1.568  1.00  0.00            
-ATOM    531 H2   HOH   177       0.786  -3.846   1.612  1.00  0.00            
-ATOM    532  O   HOH   178       8.425   3.808  -6.918  1.00  0.00            
-ATOM    533 H1   HOH   178       9.075   3.928  -7.729  1.00  0.00            
-ATOM    534 H2   HOH   178       7.505   3.888  -7.275  1.00  0.00            
-ATOM    535  O   HOH   179       2.777  -8.590  -5.314  1.00  0.00            
-ATOM    536 H1   HOH   179       2.839  -7.702  -5.632  1.00  0.00            
-ATOM    537 H2   HOH   179       3.489  -9.124  -5.685  1.00  0.00            
-ATOM    538  O   HOH   180       2.682  -7.850   6.993  1.00  0.00            
-ATOM    539 H1   HOH   180       3.382  -8.376   7.384  1.00  0.00            
-ATOM    540 H2   HOH   180       3.009  -6.910   7.029  1.00  0.00            
-ATOM    541  O   HOH   181       0.959   5.976   8.842  1.00  0.00            
-ATOM    542 H1   HOH   181       1.908   5.889   8.681  1.00  0.00            
-ATOM    543 H2   HOH   181       0.701   6.300   9.762  1.00  0.00            
-ATOM    544  O   HOH   182      -3.269  -0.095   2.168  1.00  0.00            
-ATOM    545 H1   HOH   182      -3.261  -0.142   3.146  1.00  0.00            
-ATOM    546 H2   HOH   182      -2.758  -0.845   1.881  1.00  0.00            
-ATOM    547  O   HOH   183      -8.343  -5.520   2.186  1.00  0.00            
-ATOM    548 H1   HOH   183      -8.240  -5.469   3.127  1.00  0.00            
-ATOM    549 H2   HOH   183      -9.326  -5.545   1.936  1.00  0.00            
-ATOM    550  O   HOH   184      -3.748   2.251   7.121  1.00  0.00            
-ATOM    551 H1   HOH   184      -4.751   2.368   7.191  1.00  0.00            
-ATOM    552 H2   HOH   184      -3.334   3.091   7.210  1.00  0.00            
-ATOM    553  O   HOH   185       5.491  -6.805   0.724  1.00  0.00            
-ATOM    554 H1   HOH   185       6.053  -6.670   1.517  1.00  0.00            
-ATOM    555 H2   HOH   185       5.861  -6.118   0.175  1.00  0.00            
-ATOM    556  O   HOH   186      -2.313   9.029  -1.341  1.00  0.00            
-ATOM    557 H1   HOH   186      -2.862   9.567  -1.983  1.00  0.00            
-ATOM    558 H2   HOH   186      -2.931   8.715  -0.682  1.00  0.00            
-ATOM    559  O   HOH   187      -5.479   0.699   0.492  1.00  0.00            
-ATOM    560 H1   HOH   187      -4.847   0.137   0.967  1.00  0.00            
-ATOM    561 H2   HOH   187      -5.594   0.350  -0.404  1.00  0.00            
-ATOM    562  O   HOH   188      -4.084  -6.161   5.301  1.00  0.00            
-ATOM    563 H1   HOH   188      -3.506  -6.799   4.940  1.00  0.00            
-ATOM    564 H2   HOH   188      -4.630  -6.788   5.863  1.00  0.00            
-ATOM    565  O   HOH   189       4.659   7.875  -1.282  1.00  0.00            
-ATOM    566 H1   HOH   189       5.386   8.309  -0.774  1.00  0.00            
-ATOM    567 H2   HOH   189       4.055   7.498  -0.619  1.00  0.00            
-ATOM    568  O   HOH   190      -0.166  -3.706  -3.657  1.00  0.00            
-ATOM    569 H1   HOH   190      -0.908  -4.138  -3.272  1.00  0.00            
-ATOM    570 H2   HOH   190       0.514  -4.377  -3.440  1.00  0.00            
-ATOM    571  O   HOH   191      -5.951   0.171  -2.277  1.00  0.00            
-ATOM    572 H1   HOH   191      -5.823   0.714  -3.060  1.00  0.00            
-ATOM    573 H2   HOH   191      -6.282  -0.633  -2.620  1.00  0.00            
-ATOM    574  O   HOH   192      -4.764  -4.232   8.960  1.00  0.00            
-ATOM    575 H1   HOH   192      -5.480  -4.134   8.313  1.00  0.00            
-ATOM    576 H2   HOH   192      -4.642  -5.206   8.983  1.00  0.00            
-ATOM    577  O   HOH   193       0.145  -8.934  -0.348  1.00  0.00            
-ATOM    578 H1   HOH   193      -0.693  -9.106  -0.806  1.00  0.00            
-ATOM    579 H2   HOH   193       0.881  -9.152  -0.962  1.00  0.00            
-ATOM    580  O   HOH   194      -6.024   6.817   0.677  1.00  0.00            
-ATOM    581 H1   HOH   194      -6.335   6.594  -0.147  1.00  0.00            
-ATOM    582 H2   HOH   194      -6.795   7.026   1.255  1.00  0.00            
-ATOM    583  O   HOH   195      -7.976  -4.857  -8.808  1.00  0.00            
-ATOM    584 H1   HOH   195      -7.659  -4.428  -9.586  1.00  0.00            
-ATOM    585 H2   HOH   195      -8.826  -4.435  -8.650  1.00  0.00            
-ATOM    586  O   HOH   196       6.091   7.506  -3.794  1.00  0.00            
-ATOM    587 H1   HOH   196       6.896   8.024  -3.504  1.00  0.00            
-ATOM    588 H2   HOH   196       5.535   7.536  -2.967  1.00  0.00            
-ATOM    589  O   HOH   197       7.449   5.304  -4.471  1.00  0.00            
-ATOM    590 H1   HOH   197       7.018   6.181  -4.365  1.00  0.00            
-ATOM    591 H2   HOH   197       8.016   5.286  -5.241  1.00  0.00            
-ATOM    592  O   HOH   198      -6.900  -5.901  -2.927  1.00  0.00            
-ATOM    593 H1   HOH   198      -7.154  -6.838  -2.857  1.00  0.00            
-ATOM    594 H2   HOH   198      -5.932  -5.822  -2.739  1.00  0.00            
-ATOM    595  O   HOH   199      -2.077  -9.026   8.256  1.00  0.00            
-ATOM    596 H1   HOH   199      -1.233  -9.035   7.789  1.00  0.00            
-ATOM    597 H2   HOH   199      -2.467  -8.111   8.140  1.00  0.00            
-ATOM    598  O   HOH   200      -5.977  -2.535   3.782  1.00  0.00            
-ATOM    599 H1   HOH   200      -5.780  -1.850   4.378  1.00  0.00            
-ATOM    600 H2   HOH   200      -6.306  -1.917   3.065  1.00  0.00            
-ATOM    601  O   HOH   201       2.576  -9.098  -2.268  1.00  0.00            
-ATOM    602 H1   HOH   201       3.391  -9.612  -2.195  1.00  0.00            
-ATOM    603 H2   HOH   201       2.529  -8.810  -3.194  1.00  0.00            
-ATOM    604  O   HOH   202      -5.798   4.562  -4.805  1.00  0.00            
-ATOM    605 H1   HOH   202      -5.028   4.024  -4.763  1.00  0.00            
-ATOM    606 H2   HOH   202      -5.523   5.503  -4.645  1.00  0.00            
-ATOM    607  O   HOH   203       2.642   3.615   5.573  1.00  0.00            
-ATOM    608 H1   HOH   203       1.851   3.465   6.145  1.00  0.00            
-ATOM    609 H2   HOH   203       2.533   4.499   5.175  1.00  0.00            
-ATOM    610  O   HOH   204       8.011  -7.394  -4.619  1.00  0.00            
-ATOM    611 H1   HOH   204       8.169  -7.901  -3.820  1.00  0.00            
-ATOM    612 H2   HOH   204       8.830  -6.924  -4.810  1.00  0.00            
-ATOM    613  O   HOH   205      -5.863   0.151  -5.281  1.00  0.00            
-ATOM    614 H1   HOH   205      -5.088   0.587  -5.588  1.00  0.00            
-ATOM    615 H2   HOH   205      -6.450   0.191  -6.017  1.00  0.00            
-ATOM    616  O   HOH   206       7.645  -5.999   2.880  1.00  0.00            
-ATOM    617 H1   HOH   206       7.086  -5.401   3.352  1.00  0.00            
-ATOM    618 H2   HOH   206       7.945  -6.726   3.484  1.00  0.00            
-ATOM    619  O   HOH   207      -4.127   6.816  -6.252  1.00  0.00            
-ATOM    620 H1   HOH   207      -3.484   6.105  -6.419  1.00  0.00            
-ATOM    621 H2   HOH   207      -3.581   7.596  -6.033  1.00  0.00            
-ATOM    622  O   HOH   208      -2.387   0.594   9.139  1.00  0.00            
-ATOM    623 H1   HOH   208      -2.910  -0.143   9.526  1.00  0.00            
-ATOM    624 H2   HOH   208      -2.860   1.041   8.365  1.00  0.00            
-ATOM    625  O   HOH   209       6.291  -6.637  -8.831  1.00  0.00            
-ATOM    626 H1   HOH   209       5.331  -6.682  -8.839  1.00  0.00            
-ATOM    627 H2   HOH   209       6.669  -7.204  -8.167  1.00  0.00            
-ATOM    628  O   HOH   210       2.510  -8.884   2.290  1.00  0.00            
-ATOM    629 H1   HOH   210       2.430  -8.169   1.697  1.00  0.00            
-ATOM    630 H2   HOH   210       3.446  -8.960   2.484  1.00  0.00            
-ATOM    631  O   HOH   211      -9.142   8.039   7.883  1.00  0.00            
-ATOM    632 H1   HOH   211      -8.383   7.421   7.829  1.00  0.00            
-ATOM    633 H2   HOH   211      -9.916   7.561   8.297  1.00  0.00            
-ATOM    634  O   HOH   212       7.971  -3.288   7.179  1.00  0.00            
-ATOM    635 H1   HOH   212       8.561  -2.572   7.494  1.00  0.00            
-ATOM    636 H2   HOH   212       7.985  -3.225   6.216  1.00  0.00            
-ATOM    637  O   HOH   213       7.974  -6.006   7.682  1.00  0.00            
-ATOM    638 H1   HOH   213       8.211  -5.090   7.590  1.00  0.00            
-ATOM    639 H2   HOH   213       7.297  -6.051   8.386  1.00  0.00            
-ATOM    640  O   HOH   214      -1.174  -5.931   7.038  1.00  0.00            
-ATOM    641 H1   HOH   214      -1.529  -6.552   6.343  1.00  0.00            
-ATOM    642 H2   HOH   214      -1.604  -5.078   6.850  1.00  0.00            
-ATOM    643  O   HOH   215       5.857   3.613   3.066  1.00  0.00            
-ATOM    644 H1   HOH   215       5.145   4.238   2.616  1.00  0.00            
-ATOM    645 H2   HOH   215       5.360   3.257   3.827  1.00  0.00            
-ATOM    646  O   HOH   216      -7.511   3.594   2.437  1.00  0.00            
-ATOM    647 H1   HOH   216      -8.194   4.191   2.727  1.00  0.00            
-ATOM    648 H2   HOH   216      -7.832   3.254   1.617  1.00  0.00            
-TER
-ENDMDL
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.mol2 b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.mol2
deleted file mode 100644
index 66d26d292..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.mol2
+++ /dev/null
@@ -1,13 +0,0 @@
-@<TRIPOS>MOLECULE
-*****
-    3     2     0     0     0
-SMALL
-NO_CHARGES
-
-@<TRIPOS>ATOM
-      1 O1          0.0000    0.0000    0.0000 O.3       1 UNL1           nan
-      2 H1          0.0000    0.0000    0.0000 H         1 UNL1           nan
-      3 H2          0.0000    0.0000    0.0000 H         1 UNL1           nan
-@<TRIPOS>BOND
-     1    1    2 1
-     2    1    3 1
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.sdf b/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.sdf
deleted file mode 100644
index e0dcdb4c7..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/Liquid-H25-RTA/water.sdf
+++ /dev/null
@@ -1,11 +0,0 @@
-
-     RDKit          3D
-
-  3  2  0  0  0  0  0  0  0  0999 V2000
-   -0.0008    0.3664   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.8123   -0.1835   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-    0.8131   -0.1829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0
-  1  3  1  0
-M  END
-$$$$
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/options.json b/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/options.json
deleted file mode 100644
index 47a657638..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/options.json
+++ /dev/null
@@ -1,917 +0,0 @@
-{
-    "connection_options": {
-        "server_address": "localhost",
-        "server_port": 8000
-    },
-    "data_set_path": "training-set.json",
-    "denominators": {
-        "Density": {
-            "@type": "openff.evaluator.unit.Quantity",
-            "unit": "kg / m ** 3",
-            "value": 10.0
-        },
-        "EnthalpyOfVaporization": {
-            "@type": "openff.evaluator.unit.Quantity",
-            "unit": "kJ / mol",
-            "value": 0.3
-        }
-    },
-    "estimation_options": {
-        "batch_mode": {
-            "@type": "openff.evaluator.client.client.BatchMode",
-            "value": "SharedComponents"
-        },
-        "calculation_layers": [
-            "ReweightingLayer",
-            "SimulationLayer"
-        ],
-        "calculation_schemas": {
-            "Density": {
-                "SimulationLayer": {
-                    "@type": "openff.evaluator.layers.simulation.SimulationSchema",
-                    "workflow_schema": {
-                        "@type": "openff.evaluator.workflow.schemas.WorkflowSchema",
-                        "final_value_source": {
-                            "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                            "full_path": "conditional_group/average_density.value"
-                        },
-                        "outputs_to_store": {
-                            "full_system": {
-                                "@type": "openff.evaluator.storage.data.StoredSimulationData",
-                                "coordinate_file_name": {
-                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                    "full_path": "conditional_group/production_simulation.output_coordinate_file"
-                                },
-                                "force_field_id": {
-                                    "@type": "openff.evaluator.attributes.attributes.PlaceholderValue"
-                                },
-                                "number_of_molecules": {
-                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                    "full_path": "build_coordinates.output_number_of_molecules"
-                                },
-                                "observables": {
-                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                    "full_path": "decorrelate_observables.output_observables"
-                                },
-                                "property_phase": 2,
-                                "source_calculation_id": {
-                                    "@type": "openff.evaluator.attributes.attributes.PlaceholderValue"
-                                },
-                                "statistical_inefficiency": {
-                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                    "full_path": "conditional_group/average_density.time_series_statistics.statistical_inefficiency"
-                                },
-                                "substance": {
-                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                    "full_path": "build_coordinates.output_substance"
-                                },
-                                "thermodynamic_state": {
-                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                    "full_path": "global.thermodynamic_state"
-                                },
-                                "trajectory_file_name": {
-                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                    "full_path": "decorrelate_trajectory.output_trajectory_path"
-                                }
-                            }
-                        },
-                        "protocol_schemas": [
-                            {
-                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
-                                "id": "build_coordinates",
-                                "inputs": {
-                                    ".allow_merging": true,
-                                    ".box_aspect_ratio": [
-                                        1.0,
-                                        1.0,
-                                        1.0
-                                    ],
-                                    ".count_exact_amount": true,
-                                    ".mass_density": {
-                                        "@type": "openff.evaluator.unit.Quantity",
-                                        "unit": "g / ml",
-                                        "value": 0.95
-                                    },
-                                    ".max_molecules": 80,
-                                    ".retain_packmol_files": false,
-                                    ".substance": {
-                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                        "full_path": "global.substance"
-                                    },
-                                    ".tolerance": {
-                                        "@type": "openff.evaluator.unit.Quantity",
-                                        "unit": "\u00c5",
-                                        "value": 2.0
-                                    },
-                                    ".verbose_packmol": false
-                                },
-                                "type": "BuildCoordinatesPackmol"
-                            },
-                            {
-                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
-                                "id": "energy_minimisation",
-                                "inputs": {
-                                    ".allow_merging": true,
-                                    ".enable_pbc": true,
-                                    ".input_coordinate_file": {
-                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                        "full_path": "build_coordinates.coordinate_file_path"
-                                    },
-                                    ".max_iterations": 0,
-                                    ".parameterized_system": {
-                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                        "full_path": "assign_parameters.parameterized_system"
-                                    },
-                                    ".tolerance": {
-                                        "@type": "openff.evaluator.unit.Quantity",
-                                        "unit": "kJ / mol / nm",
-                                        "value": 10.0
-                                    }
-                                },
-                                "type": "OpenMMEnergyMinimisation"
-                            },
-                            {
-                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
-                                "id": "equilibration_simulation",
-                                "inputs": {
-                                    ".allow_gpu_platforms": true,
-                                    ".allow_merging": true,
-                                    ".checkpoint_frequency": 10,
-                                    ".enable_pbc": true,
-                                    ".ensemble": {
-                                        "@type": "openff.evaluator.thermodynamics.Ensemble",
-                                        "value": "NPT"
-                                    },
-                                    ".gradient_parameters": [],
-                                    ".high_precision": false,
-                                    ".input_coordinate_file": {
-                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                        "full_path": "energy_minimisation.output_coordinate_file"
-                                    },
-                                    ".output_frequency": 100,
-                                    ".parameterized_system": {
-                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                        "full_path": "assign_parameters.parameterized_system"
-                                    },
-                                    ".steps_per_iteration": 500,
-                                    ".thermodynamic_state": {
-                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                        "full_path": "global.thermodynamic_state"
-                                    },
-                                    ".thermostat_friction": {
-                                        "@type": "openff.evaluator.unit.Quantity",
-                                        "unit": "1 / ps",
-                                        "value": 1.0
-                                    },
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-                        },
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-                            },
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-                                    ".box_aspect_ratio": [
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-                                        1.0,
-                                        1.0
-                                    ],
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-                                    },
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-                                },
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-                                            },
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-                                                "full_path": "global.thermodynamic_state"
-                                            }
-                                        },
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-                                    },
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-                                            ".value_a": {
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-                                                "full_path": "average_liquid_potential.value"
-                                            },
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-                                                "full_path": "average_gas_potential.value"
-                                            }
-                                        },
-                                        "type": "SubtractValues"
-                                    },
-                                    "enthalpy_of_vaporization": {
-                                        "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
-                                        "id": "enthalpy_of_vaporization",
-                                        "inputs": {
-                                            ".allow_merging": true,
-                                            ".values": [
-                                                {
-                                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                                    "full_path": "energy_of_vaporization.result"
-                                                },
-                                                {
-                                                    "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                                    "full_path": "ideal_volume.result"
-                                                }
-                                            ]
-                                        },
-                                        "type": "AddValues"
-                                    },
-                                    "ideal_volume": {
-                                        "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
-                                        "id": "ideal_volume",
-                                        "inputs": {
-                                            ".allow_merging": true,
-                                            ".multiplier": {
-                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                                "full_path": "global.thermodynamic_state.temperature"
-                                            },
-                                            ".value": {
-                                                "@type": "openff.evaluator.unit.Quantity",
-                                                "unit": "R",
-                                                "value": 1.0
-                                            }
-                                        },
-                                        "type": "MultiplyValue"
-                                    },
-                                    "production_simulation_gas": {
-                                        "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
-                                        "id": "production_simulation_gas",
-                                        "inputs": {
-                                            ".allow_gpu_platforms": false,
-                                            ".allow_merging": true,
-                                            ".checkpoint_frequency": 100,
-                                            ".enable_pbc": false,
-                                            ".ensemble": {
-                                                "@type": "openff.evaluator.thermodynamics.Ensemble",
-                                                "value": "NVT"
-                                            },
-                                            ".gradient_parameters": {
-                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                                "full_path": "global.parameter_gradient_keys"
-                                            },
-                                            ".high_precision": true,
-                                            ".input_coordinate_file": {
-                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                                "full_path": "equilibration_simulation_gas.output_coordinate_file"
-                                            },
-                                            ".output_frequency": 10,
-                                            ".parameterized_system": {
-                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                                "full_path": "assign_parameters_gas.parameterized_system"
-                                            },
-                                            ".steps_per_iteration": 1000,
-                                            ".thermodynamic_state": {
-                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                                "full_path": "global.thermodynamic_state"
-                                            },
-                                            ".thermostat_friction": {
-                                                "@type": "openff.evaluator.unit.Quantity",
-                                                "unit": "1 / ps",
-                                                "value": 1.0
-                                            },
-                                            ".timestep": {
-                                                "@type": "openff.evaluator.unit.Quantity",
-                                                "unit": "fs",
-                                                "value": 2.0
-                                            },
-                                            ".total_number_of_iterations": 1
-                                        },
-                                        "type": "OpenMMSimulation"
-                                    },
-                                    "production_simulation_liquid": {
-                                        "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
-                                        "id": "production_simulation_liquid",
-                                        "inputs": {
-                                            ".allow_gpu_platforms": true,
-                                            ".allow_merging": true,
-                                            ".checkpoint_frequency": 10,
-                                            ".enable_pbc": true,
-                                            ".ensemble": {
-                                                "@type": "openff.evaluator.thermodynamics.Ensemble",
-                                                "value": "NPT"
-                                            },
-                                            ".gradient_parameters": {
-                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                                "full_path": "global.parameter_gradient_keys"
-                                            },
-                                            ".high_precision": false,
-                                            ".input_coordinate_file": {
-                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                                "full_path": "equilibration_simulation_liquid.output_coordinate_file"
-                                            },
-                                            ".output_frequency": 1,
-                                            ".parameterized_system": {
-                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                                "full_path": "assign_parameters_liquid.parameterized_system"
-                                            },
-                                            ".steps_per_iteration": 100,
-                                            ".thermodynamic_state": {
-                                                "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                                "full_path": "global.thermodynamic_state"
-                                            },
-                                            ".thermostat_friction": {
-                                                "@type": "openff.evaluator.unit.Quantity",
-                                                "unit": "1 / ps",
-                                                "value": 1.0
-                                            },
-                                            ".timestep": {
-                                                "@type": "openff.evaluator.unit.Quantity",
-                                                "unit": "fs",
-                                                "value": 2.0
-                                            },
-                                            ".total_number_of_iterations": 1
-                                        },
-                                        "type": "OpenMMSimulation"
-                                    }
-                                },
-                                "type": "ConditionalGroup"
-                            },
-                            {
-                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
-                                "id": "assign_parameters_liquid",
-                                "inputs": {
-                                    ".allow_merging": true,
-                                    ".coordinate_file_path": {
-                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                        "full_path": "build_coordinates_liquid.coordinate_file_path"
-                                    },
-                                    ".force_field_path": {
-                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                        "full_path": "global.force_field_path"
-                                    },
-                                    ".substance": {
-                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                        "full_path": "build_coordinates_liquid.output_substance"
-                                    }
-                                },
-                                "type": "BuildSmirnoffSystem"
-                            },
-                            {
-                                "@type": "openff.evaluator.workflow.schemas.ProtocolSchema",
-                                "id": "assign_parameters_gas",
-                                "inputs": {
-                                    ".allow_merging": true,
-                                    ".coordinate_file_path": {
-                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                        "full_path": "build_coordinates_gas.coordinate_file_path"
-                                    },
-                                    ".force_field_path": {
-                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                        "full_path": "global.force_field_path"
-                                    },
-                                    ".substance": {
-                                        "@type": "openff.evaluator.workflow.utils.ProtocolPath",
-                                        "full_path": "build_coordinates_gas.output_substance"
-                                    }
-                                },
-                                "type": "BuildSmirnoffSystem"
-                            }
-                        ]
-                    }
-                }
-            }
-        }
-    },
-    "polling_interval": 5,
-    "weights": {
-        "Density": 1.0,
-        "EnthalpyOfVaporization": 1.0
-    }
-}
\ No newline at end of file
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/training-set.json b/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/training-set.json
deleted file mode 100644
index 014c60462..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/phys-prop/training-set.json
+++ /dev/null
@@ -1,74 +0,0 @@
-{
-  "@type": "openff.evaluator.datasets.datasets.PhysicalPropertyDataSet",
-  "properties": [
-    {
-      "@type": "openff.evaluator.properties.density.Density",
-      "gradients": [],
-      "id": "-5235369125678647707",
-      "phase": 2,
-      "source": {
-        "@type": "openff.evaluator.datasets.provenance.MeasurementSource",
-        "doi": "10.1021/je700700f",
-        "reference": ""
-      },
-      "substance": {
-        "@type": "openff.evaluator.substances.substances.Substance",
-        "amounts": {
-          "CC(C)O{solv}": [
-            {
-              "@type": "openff.evaluator.substances.amounts.MoleFraction",
-              "value": 0.4981
-            }
-          ],
-          "O{solv}": [
-            {
-              "@type": "openff.evaluator.substances.amounts.MoleFraction",
-              "value": 0.5019
-            }
-          ]
-        },
-        "components": [
-          {
-            "@type": "openff.evaluator.substances.components.Component",
-            "role": {
-              "@type": "openff.evaluator.substances.components.Component.Role",
-              "value": "solv"
-            },
-            "smiles": "CC(C)O"
-          },
-          {
-            "@type": "openff.evaluator.substances.components.Component",
-            "role": {
-              "@type": "openff.evaluator.substances.components.Component.Role",
-              "value": "solv"
-            },
-            "smiles": "O"
-          }
-        ]
-      },
-      "thermodynamic_state": {
-        "@type": "openff.evaluator.thermodynamics.ThermodynamicState",
-        "pressure": {
-          "@type": "openff.evaluator.unit.Quantity",
-          "unit": "kilopascal",
-          "value": 101.0
-        },
-        "temperature": {
-          "@type": "openff.evaluator.unit.Quantity",
-          "unit": "kelvin",
-          "value": 298.15
-        }
-      },
-      "uncertainty": {
-        "@type": "openff.evaluator.unit.Quantity",
-        "unit": "gram / milliliter",
-        "value": 0.0002
-      },
-      "value": {
-        "@type": "openff.evaluator.unit.Quantity",
-        "unit": "gram / milliliter",
-        "value": 0.8388000000000001
-      }
-    }
-  ]
-}
\ No newline at end of file
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/all.gro b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/all.gro
deleted file mode 100644
index d4be562c7..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/all.gro
+++ /dev/null
@@ -1,279 +0,0 @@
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-    6
-    0SOL     O1    1   0.035216  -0.007891  -0.118047
-    0SOL     H2    2   0.013612  -0.100544  -0.128587
-    0SOL     H3    3  -0.023084   0.037425  -0.178955
-    1SOL     O4    4  -0.025012   0.012283   0.127349
-    1SOL     H5    5  -0.016091  -0.006811   0.033978
-    1SOL     H6    6  -0.119275   0.008894   0.143638
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068329   0.097053   0.037449
-    0SOL     H2    2  -0.147032   0.073895  -0.011865
-    0SOL     H3    3  -0.100130   0.116658   0.125578
-    1SOL     O4    4   0.081189  -0.095895  -0.043931
-    1SOL     H5    5   0.044696  -0.177205  -0.009012
-    1SOL     H6    6   0.022548  -0.027467  -0.011663
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022499  -0.124004   0.015192
-    0SOL     H2    2   0.004881  -0.190135   0.082114
-    0SOL     H3    3  -0.006752  -0.164235  -0.066589
-    1SOL     O4    4  -0.025241   0.133616  -0.010805
-    1SOL     H5    5  -0.003792   0.040382  -0.007692
-    1SOL     H6    6   0.042237   0.171906  -0.066866
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054422  -0.125531   0.008842
-    0SOL     H2    2   0.027168  -0.033817   0.006011
-    0SOL     H3    3   0.120093  -0.128916   0.078399
-    1SOL     O4    4  -0.057240   0.113646  -0.015238
-    1SOL     H5    5  -0.090527   0.147704   0.067794
-    1SOL     H6    6  -0.013964   0.188520  -0.056267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057162  -0.096598   0.081668
-    0SOL     H2    2   0.009903  -0.024906   0.039369
-    0SOL     H3    3   0.145028  -0.093024   0.043864
-    1SOL     O4    4  -0.058691   0.087480  -0.072013
-    1SOL     H5    5  -0.047638   0.076625  -0.166471
-    1SOL     H6    6  -0.083206   0.179365  -0.061122
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.125192   0.029806   0.012408
-    0SOL     H2    2  -0.177747  -0.031722   0.063541
-    0SOL     H3    3  -0.163861   0.115423   0.030760
-    1SOL     O4    4   0.134130  -0.026605  -0.012940
-    1SOL     H5    5   0.159299  -0.099805  -0.069248
-    1SOL     H6    6   0.038505  -0.030045  -0.010415
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.094081  -0.001291   0.101499
-    0SOL     H2    2   0.186245   0.003379   0.076076
-    0SOL     H3    3   0.046356  -0.002935   0.018541
-    1SOL     O4    4  -0.092695  -0.004273  -0.094399
-    1SOL     H5    5  -0.173939   0.020776  -0.050418
-    1SOL     H6    6  -0.077023   0.065865  -0.157624
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021701   0.062227  -0.111529
-    0SOL     H2    2  -0.099030   0.060994  -0.167931
-    0SOL     H3    3   0.020301   0.146183  -0.130222
-    1SOL     O4    4   0.020956  -0.068017   0.122217
-    1SOL     H5    5  -0.012498  -0.021728   0.045402
-    1SOL     H6    6   0.105152  -0.103710   0.093944
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047375   0.092287  -0.078869
-    0SOL     H2    2  -0.028777   0.117155  -0.131261
-    0SOL     H3    3   0.122081   0.128817  -0.126271
-    1SOL     O4    4  -0.046888  -0.102476   0.083546
-    1SOL     H5    5  -0.087999  -0.054690   0.155578
-    1SOL     H6    6  -0.011123  -0.034208   0.026778
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034309   0.055463   0.125268
-    0SOL     H2    2   0.092538  -0.013034   0.158128
-    0SOL     H3    3  -0.001949   0.019367   0.044367
-    1SOL     O4    4  -0.038574  -0.047688  -0.116509
-    1SOL     H5    5  -0.001940  -0.129924  -0.149029
-    1SOL     H6    6  -0.023381   0.014986  -0.187244
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.033204  -0.042317   0.121670
-    0SOL     H2    2   0.030110  -0.137906   0.117727
-    0SOL     H3    3  -0.038315  -0.018402   0.180621
-    1SOL     O4    4  -0.023709   0.047890  -0.128301
-    1SOL     H5    5  -0.029813   0.017836  -0.037627
-    1SOL     H6    6  -0.114591   0.054054  -0.157710
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.006877   0.103161  -0.085040
-    0SOL     H2    2  -0.034377   0.037294  -0.148818
-    0SOL     H3    3   0.047656   0.163797  -0.135158
-    1SOL     O4    4   0.009879  -0.105920   0.095243
-    1SOL     H5    5  -0.084734  -0.118806   0.088558
-    1SOL     H6    6   0.029592  -0.038601   0.030113
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.007777  -0.101238   0.084848
-    0SOL     H2    2  -0.011018  -0.173050   0.021643
-    0SOL     H3    3  -0.056383  -0.133752   0.160627
-    1SOL     O4    4   0.005930   0.111836  -0.086282
-    1SOL     H5    5  -0.001700   0.029380  -0.038270
-    1SOL     H6    6   0.095157   0.111264  -0.120930
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.041370  -0.064394   0.117040
-    0SOL     H2    2   0.096126  -0.142615   0.110284
-    0SOL     H3    3   0.043678  -0.025846   0.029456
-    1SOL     O4    4  -0.041248   0.060936  -0.111838
-    1SOL     H5    5  -0.006817   0.150236  -0.113316
-    1SOL     H6    6  -0.136222   0.071908  -0.107156
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.069619  -0.030655   0.108934
-    0SOL     H2    2   0.053723  -0.124976   0.105315
-    0SOL     H3    3   0.163118  -0.022784   0.127865
-    1SOL     O4    4  -0.081030   0.037265  -0.111022
-    1SOL     H5    5  -0.008089   0.044364  -0.172596
-    1SOL     H6    6  -0.040692   0.007980  -0.029306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050391   0.128326   0.040288
-    0SOL     H2    2  -0.011305   0.060654   0.012423
-    0SOL     H3    3   0.136430   0.093396   0.017058
-    1SOL     O4    4  -0.056577  -0.116500  -0.037262
-    1SOL     H5    5  -0.012087  -0.155166   0.038156
-    1SOL     H6    6  -0.023677  -0.165817  -0.112413
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070417  -0.082636  -0.091075
-    0SOL     H2    2   0.026263  -0.067554  -0.174653
-    0SOL     H3    3   0.024791  -0.025614  -0.029196
-    1SOL     O4    4  -0.064620   0.071902   0.090267
-    1SOL     H5    5  -0.067463   0.111650   0.177298
-    1SOL     H6    6  -0.074957   0.145486   0.029928
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032647  -0.065122   0.114138
-    0SOL     H2    2  -0.031401  -0.023970   0.172160
-    0SOL     H3    3   0.117416  -0.034627   0.146491
-    1SOL     O4    4  -0.033566   0.068271  -0.117978
-    1SOL     H5    5  -0.052814   0.026566  -0.201957
-    1SOL     H6    6  -0.021264  -0.004665  -0.057222
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.048035   0.063774   0.116050
-    0SOL     H2    2  -0.005433   0.035829   0.041735
-    0SOL     H3    3   0.053281   0.158957   0.107394
-    1SOL     O4    4  -0.042207  -0.061588  -0.111787
-    1SOL     H5    5  -0.136720  -0.075384  -0.105521
-    1SOL     H6    6  -0.005214  -0.149823  -0.114689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051815  -0.119561  -0.057230
-    0SOL     H2    2   0.094466  -0.088333  -0.137029
-    0SOL     H3    3   0.005993  -0.042847  -0.022913
-    1SOL     O4    4  -0.051845   0.106277   0.057649
-    1SOL     H5    5  -0.065640   0.140903   0.145814
-    1SOL     H6    6  -0.033662   0.183510   0.004106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004837   0.135305  -0.037879
-    0SOL     H2    2   0.024319   0.047497  -0.013345
-    0SOL     H3    3   0.073114   0.190025  -0.028302
-    1SOL     O4    4   0.003013  -0.128582   0.033033
-    1SOL     H5    5  -0.064387  -0.181338  -0.009820
-    1SOL     H6    6   0.000218  -0.155943   0.124717
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010415   0.083721  -0.105939
-    0SOL     H2    2  -0.077284   0.032006  -0.150844
-    0SOL     H3    3  -0.050977   0.169471  -0.093137
-    1SOL     O4    4   0.011358  -0.086392   0.112089
-    1SOL     H5    5   0.016366  -0.031953   0.033516
-    1SOL     H6    6   0.096139  -0.130650   0.116064
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.089377  -0.047596  -0.099875
-    0SOL     H2    2   0.030501  -0.025179  -0.027810
-    0SOL     H3    3   0.133096  -0.127741  -0.071103
-    1SOL     O4    4  -0.089874   0.054719   0.088494
-    1SOL     H5    5  -0.040180   0.080988   0.165972
-    1SOL     H6    6  -0.115487  -0.035838   0.105977
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054827  -0.093833  -0.079850
-    0SOL     H2    2   0.139850  -0.094965  -0.035894
-    0SOL     H3    3   0.028293  -0.185742  -0.083154
-    1SOL     O4    4  -0.064080   0.098676   0.080476
-    1SOL     H5    5  -0.012082   0.178054   0.067924
-    1SOL     H6    6  -0.010010   0.028564   0.044102
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039239   0.136590   0.001589
-    0SOL     H2    2  -0.099855   0.152743  -0.070710
-    0SOL     H3    3  -0.021031   0.042724  -0.002874
-    1SOL     O4    4   0.036913  -0.128715  -0.000542
-    1SOL     H5    5   0.021150  -0.190553   0.070802
-    1SOL     H6    6   0.131573  -0.131716  -0.014427
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076783  -0.070779   0.086150
-    0SOL     H2    2   0.052458  -0.097884   0.174671
-    0SOL     H3    3   0.145675  -0.005596   0.099089
-    1SOL     O4    4  -0.076260   0.071858  -0.097304
-    1SOL     H5    5  -0.038892   0.003502  -0.041685
-    1SOL     H6    6  -0.164798   0.084744  -0.063285
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068473  -0.018799  -0.115503
-    0SOL     H2    2  -0.144161  -0.074630  -0.133294
-    0SOL     H3    3  -0.101693   0.070453  -0.125135
-    1SOL     O4    4   0.073596   0.014636   0.123035
-    1SOL     H5    5   0.026966  -0.010836   0.043416
-    1SOL     H6    6   0.138292   0.078701   0.093502
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061247   0.053214  -0.110938
-    0SOL     H2    2  -0.043468  -0.024915  -0.163303
-    0SOL     H3    3  -0.010524   0.122503  -0.153229
-    1SOL     O4    4   0.059870  -0.049809   0.121884
-    1SOL     H5    5   0.071749  -0.140629   0.094080
-    1SOL     H6    6   0.008063  -0.009894   0.051990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000307   0.075304   0.122760
-    0SOL     H2    2   0.091765   0.088811   0.145179
-    0SOL     H3    3   0.001942   0.024433   0.041708
-    1SOL     O4    4  -0.006738  -0.073646  -0.113258
-    1SOL     H5    5  -0.044168  -0.019501  -0.182753
-    1SOL     H6    6   0.066212  -0.119354  -0.155107
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133520   0.003343  -0.051698
-    0SOL     H2    2   0.048576   0.022278  -0.011846
-    0SOL     H3    3   0.185845   0.081750  -0.035064
-    1SOL     O4    4  -0.130258  -0.002557   0.046491
-    1SOL     H5    5  -0.082744  -0.059558   0.106952
-    1SOL     H6    6  -0.203419  -0.055999   0.015608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002711  -0.139539   0.044167
-    0SOL     H2    2   0.023164  -0.048173   0.032129
-    0SOL     H3    3  -0.056085  -0.159692  -0.032693
-    1SOL     O4    4  -0.001078   0.131408  -0.038611
-    1SOL     H5    5   0.062529   0.138418  -0.109796
-    1SOL     H6    6   0.030728   0.192267   0.028073
-  3.000000   3.000000   3.000000
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/input.sdf b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/input.sdf
deleted file mode 100644
index 6e873ce0c..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/input.sdf
+++ /dev/null
@@ -1,11 +0,0 @@
-
-  -OEChem-04012114442D
-
-  3  2  0     0  0  0  0  0  0999 V2000
-    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
-    0.7500    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3750   -0.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  3  1  0  0  0  0
-M  END
-$$$$
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/qdata.txt b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/qdata.txt
deleted file mode 100644
index 2f22aa16b..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/qdata.txt
+++ /dev/null
@@ -1,36000 +0,0 @@
-JOB 0
-COORDS  3.5216500000e-01 -7.8911000000e-02 -1.1804680000e+00  1.3612400000e-01 -1.0054360000e+00 -1.2858660000e+00 -2.3084000000e-01  3.7425000000e-01 -1.7895500000e+00 -2.5011700000e-01  1.2282500000e-01  1.2734860000e+00 -1.6090600000e-01 -6.8114000000e-02  3.3977500000e-01 -1.1927470000e+00  8.8939000000e-02  1.4363760000e+00
-ENERGY -1.526531302629e+02
-FORCES -4.5584000000e-03  2.8331000000e-03  1.0695200000e-02 -1.7058000000e-03  7.4662000000e-03  5.6202000000e-03  2.3209000000e-03 -3.8125000000e-03  4.3021000000e-03  5.6422000000e-03  3.1000000000e-06 -2.3512700000e-02 -4.5328000000e-03 -6.2378000000e-03  6.9465000000e-03  2.8339000000e-03 -2.5210000000e-04 -4.0514000000e-03
-
-JOB 1
-COORDS -6.8329000000e-01  9.7053200000e-01  3.7448700000e-01 -1.4703220000e+00  7.3895000000e-01 -1.1864800000e-01 -1.0012950000e+00  1.1665760000e+00  1.2557770000e+00  8.1188800000e-01 -9.5895400000e-01 -4.3931200000e-01  4.4696000000e-01 -1.7720490000e+00 -9.0119000000e-02  2.2548500000e-01 -2.7467100000e-01 -1.1663300000e-01
-ENERGY -1.526559628751e+02
-FORCES  6.0634000000e-03 -9.1897000000e-03 -8.2310000000e-04  6.3519000000e-03 -1.7801000000e-03  3.8187000000e-03 -6.5600000000e-05 -1.2865000000e-03 -5.5128000000e-03 -1.1486000000e-02  1.5615500000e-02  9.5280000000e-03 -7.6370000000e-04  3.5825000000e-03 -2.6770000000e-04 -1.0010000000e-04 -6.9418000000e-03 -6.7431000000e-03
-
-JOB 2
-COORDS  2.2498900000e-01 -1.2400430000e+00  1.5191700000e-01  4.8805000000e-02 -1.9013490000e+00  8.2114400000e-01 -6.7522000000e-02 -1.6423530000e+00 -6.6589400000e-01 -2.5241300000e-01  1.3361600000e+00 -1.0805400000e-01 -3.7922000000e-02  4.0382100000e-01 -7.6917000000e-02  4.2237100000e-01  1.7190630000e+00 -6.6866400000e-01
-ENERGY -1.526585233898e+02
-FORCES -3.9958000000e-03  7.1673000000e-03  2.1209000000e-03  8.4110000000e-04  1.2867000000e-03 -5.1036000000e-03  1.4961000000e-03  3.3770000000e-03  4.6494000000e-03  4.7098000000e-03 -1.5757400000e-02  3.2242000000e-03 -1.4332000000e-03  7.0594000000e-03 -5.9418000000e-03 -1.6180000000e-03 -3.1331000000e-03  1.0510000000e-03
-
-JOB 3
-COORDS  5.4421800000e-01 -1.2553130000e+00  8.8419000000e-02  2.7167700000e-01 -3.3817000000e-01  6.0110000000e-02  1.2009290000e+00 -1.2891610000e+00  7.8398900000e-01 -5.7240000000e-01  1.1364590000e+00 -1.5238300000e-01 -9.0526700000e-01  1.4770440000e+00  6.7793800000e-01 -1.3963800000e-01  1.8851980000e+00 -5.6267300000e-01
-ENERGY -1.526591375278e+02
-FORCES -5.9708000000e-03  1.5395500000e-02 -1.2981000000e-03  5.0274000000e-03 -8.6922000000e-03  2.7170000000e-03 -2.6534000000e-03  2.2454000000e-03 -1.6577000000e-03  2.5214000000e-03 -3.5902000000e-03  1.2333000000e-03  3.3591000000e-03 -1.5926000000e-03 -4.4384000000e-03 -2.2836000000e-03 -3.7659000000e-03  3.4439000000e-03
-
-JOB 4
-COORDS  5.7161800000e-01 -9.6598200000e-01  8.1667700000e-01  9.9028000000e-02 -2.4906300000e-01  3.9369100000e-01  1.4502750000e+00 -9.3024200000e-01  4.3863600000e-01 -5.8690800000e-01  8.7480300000e-01 -7.2013500000e-01 -4.7637800000e-01  7.6625000000e-01 -1.6647140000e+00 -8.3205900000e-01  1.7936460000e+00 -6.1122200000e-01
-ENERGY -1.526592048686e+02
-FORCES -5.0294000000e-03  1.2398000000e-02 -9.9033000000e-03  2.7722000000e-03 -5.3012000000e-03  4.7156000000e-03 -2.3452000000e-03 -1.8940000000e-04  2.0330000000e-04  3.6095000000e-03 -4.8244000000e-03  2.5716000000e-03 -4.3080000000e-04  2.4659000000e-03  4.5500000000e-03  1.4237000000e-03 -4.5489000000e-03 -2.1372000000e-03
-
-JOB 5
-COORDS -1.2519220000e+00  2.9806100000e-01  1.2407700000e-01 -1.7774660000e+00 -3.1721900000e-01  6.3541300000e-01 -1.6386140000e+00  1.1542270000e+00  3.0760000000e-01  1.3412990000e+00 -2.6605100000e-01 -1.2939600000e-01  1.5929860000e+00 -9.9805000000e-01 -6.9248000000e-01  3.8505000000e-01 -3.0044700000e-01 -1.0414600000e-01
-ENERGY -1.526589644775e+02
-FORCES  6.1265000000e-03  3.0777000000e-03  1.4675000000e-03  3.5697000000e-03  2.9068000000e-03 -2.7914000000e-03 -6.3560000000e-04 -5.0797000000e-03 -2.5900000000e-05 -1.3435800000e-02  3.3336000000e-03 -4.0000000000e-06 -3.1784000000e-03  1.9018000000e-03  1.9073000000e-03  7.5536000000e-03 -6.1403000000e-03 -5.5360000000e-04
-
-JOB 6
-COORDS  9.4080600000e-01 -1.2910000000e-02  1.0149850000e+00  1.8624460000e+00  3.3795000000e-02  7.6075800000e-01  4.6356000000e-01 -2.9346000000e-02  1.8540800000e-01 -9.2695400000e-01 -4.2725000000e-02 -9.4398900000e-01 -1.7393910000e+00  2.0776300000e-01 -5.0417800000e-01 -7.7022600000e-01  6.5865000000e-01 -1.5762390000e+00
-ENERGY -1.526600696682e+02
-FORCES -8.6859000000e-03 -1.4874000000e-03 -1.0990200000e-02 -3.8729000000e-03  3.1860000000e-04 -1.5272000000e-03  9.0875000000e-03  2.1028000000e-03  6.5977000000e-03 -1.1891000000e-03  3.1893000000e-03  4.9992000000e-03  4.0382000000e-03 -6.4660000000e-04 -3.6094000000e-03  6.2220000000e-04 -3.4767000000e-03  4.5300000000e-03
-
-JOB 7
-COORDS -2.1701100000e-01  6.2226700000e-01 -1.1152950000e+00 -9.9029600000e-01  6.0993900000e-01 -1.6793080000e+00  2.0301000000e-01  1.4618330000e+00 -1.3022250000e+00  2.0956200000e-01 -6.8016800000e-01  1.2221690000e+00 -1.2498000000e-01 -2.1727700000e-01  4.5402400000e-01  1.0515240000e+00 -1.0370950000e+00  9.3944400000e-01
-ENERGY -1.526602654351e+02
-FORCES  6.5390000000e-04  2.1520000000e-04  3.8382000000e-03  4.2812000000e-03  1.0164000000e-03  2.8041000000e-03 -2.7503000000e-03 -4.3081000000e-03 -5.8580000000e-04 -2.4710000000e-04  6.0331000000e-03 -1.4410500000e-02 -3.1300000000e-04 -3.9877000000e-03  7.0912000000e-03 -1.6247000000e-03  1.0312000000e-03  1.2628000000e-03
-
-JOB 8
-COORDS  4.7374800000e-01  9.2287200000e-01 -7.8869200000e-01 -2.8776900000e-01  1.1715470000e+00 -1.3126050000e+00  1.2208080000e+00  1.2881660000e+00 -1.2627100000e+00 -4.6887700000e-01 -1.0247650000e+00  8.3546400000e-01 -8.7998900000e-01 -5.4689800000e-01  1.5557840000e+00 -1.1122800000e-01 -3.4208300000e-01  2.6778100000e-01
-ENERGY -1.526598941771e+02
-FORCES  3.4890000000e-04 -3.8972000000e-03  1.0450000000e-03  4.3281000000e-03 -1.4662000000e-03  3.2820000000e-03 -5.0488000000e-03 -2.1380000000e-04  7.9700000000e-04  6.2528000000e-03  1.0725100000e-02 -5.7958000000e-03  9.5160000000e-04 -5.7360000000e-04 -2.7674000000e-03 -6.8325000000e-03 -4.5743000000e-03  3.4393000000e-03
-
-JOB 9
-COORDS  3.4308700000e-01  5.5463100000e-01  1.2526750000e+00  9.2537900000e-01 -1.3034200000e-01  1.5812770000e+00 -1.9486000000e-02  1.9367200000e-01  4.4367500000e-01 -3.8574000000e-01 -4.7688000000e-01 -1.1650870000e+00 -1.9404000000e-02 -1.2992390000e+00 -1.4902870000e+00 -2.3381500000e-01  1.4985700000e-01 -1.8724420000e+00
-ENERGY -1.526600117336e+02
-FORCES -2.8625000000e-03 -8.2529000000e-03 -1.2696500000e-02 -1.5038000000e-03  1.3546000000e-03 -1.3246000000e-03  1.8647000000e-03  4.9256000000e-03  7.8666000000e-03  4.3317000000e-03  1.5440000000e-03  1.9145000000e-03 -1.3611000000e-03  4.5275000000e-03  8.6990000000e-04 -4.6910000000e-04 -4.0988000000e-03  3.3701000000e-03
-
-JOB 10
-COORDS  3.3204500000e-01 -4.2317000000e-01  1.2166950000e+00  3.0110100000e-01 -1.3790570000e+00  1.1772690000e+00 -3.8315400000e-01 -1.8401600000e-01  1.8062100000e+00 -2.3709400000e-01  4.7889500000e-01 -1.2830130000e+00 -2.9812900000e-01  1.7835800000e-01 -3.7626900000e-01 -1.1459090000e+00  5.4054200000e-01 -1.5770970000e+00
-ENERGY -1.526584725552e+02
-FORCES  2.9300000000e-05 -2.4911000000e-03 -3.4110000000e-04 -1.2332000000e-03  5.8313000000e-03 -8.1400000000e-05  2.4494000000e-03 -1.1138000000e-03 -6.3362000000e-03  2.4346000000e-03 -4.0313000000e-03  1.2473100000e-02 -6.3752000000e-03  2.9250000000e-03 -9.2560000000e-03  2.6950000000e-03 -1.1201000000e-03  3.5416000000e-03
-
-JOB 11
-COORDS -6.8773000000e-02  1.0316150000e+00 -8.5040200000e-01 -3.4376800000e-01  3.7294300000e-01 -1.4881810000e+00  4.7656000000e-01  1.6379710000e+00 -1.3515770000e+00  9.8788000000e-02 -1.0592040000e+00  9.5243200000e-01 -8.4734100000e-01 -1.1880600000e+00  8.8558400000e-01  2.9591600000e-01 -3.8601400000e-01  3.0113500000e-01
-ENERGY -1.526579653737e+02
-FORCES  1.0628000000e-03 -3.1080000000e-04 -1.9071000000e-03  2.7690000000e-03  1.6733000000e-03  6.5097000000e-03 -3.2900000000e-03 -3.5956000000e-03  1.8224000000e-03 -2.5932000000e-03  1.1703800000e-02 -5.9245000000e-03  2.8356000000e-03 -2.9420000000e-04 -1.0490000000e-03 -7.8420000000e-04 -9.1766000000e-03  5.4850000000e-04
-
-JOB 12
-COORDS -7.7771000000e-02 -1.0123790000e+00  8.4847600000e-01 -1.1018000000e-01 -1.7305010000e+00  2.1643000000e-01 -5.6383400000e-01 -1.3375240000e+00  1.6062720000e+00  5.9301000000e-02  1.1183600000e+00 -8.6282500000e-01 -1.6996000000e-02  2.9380300000e-01 -3.8270300000e-01  9.5157500000e-01  1.1126440000e+00 -1.2093010000e+00
-ENERGY -1.526583148829e+02
-FORCES -3.0850000000e-03  2.1059000000e-03  8.4300000000e-04  1.6940000000e-04  6.5605000000e-03  1.8725000000e-03  2.9791000000e-03 -5.6470000000e-04 -4.0400000000e-03  1.3278000000e-03 -8.4676000000e-03  9.5404000000e-03  1.3957000000e-03  1.6917000000e-03 -9.4365000000e-03 -2.7870000000e-03 -1.3258000000e-03  1.2206000000e-03
-
-JOB 13
-COORDS  4.1370100000e-01 -6.4393800000e-01  1.1704050000e+00  9.6125500000e-01 -1.4261480000e+00  1.1028440000e+00  4.3677700000e-01 -2.5846100000e-01  2.9455800000e-01 -4.1248300000e-01  6.0935600000e-01 -1.1183800000e+00 -6.8171000000e-02  1.5023630000e+00 -1.1331590000e+00 -1.3622200000e+00  7.1907700000e-01 -1.0715570000e+00
-ENERGY -1.526603787012e+02
-FORCES -2.8536000000e-03  3.8261000000e-03 -1.1283200000e-02 -1.9200000000e-03  2.9528000000e-03 -1.5027000000e-03  5.9005000000e-03 -3.2201000000e-03  8.3638000000e-03 -4.4363000000e-03  4.8430000000e-04  4.8577000000e-03 -1.3205000000e-03 -5.1234000000e-03  1.2750000000e-03  4.6300000000e-03  1.0803000000e-03 -1.7106000000e-03
-
-JOB 14
-COORDS  6.9619400000e-01 -3.0654600000e-01  1.0893390000e+00  5.3722800000e-01 -1.2497600000e+00  1.0531540000e+00  1.6311810000e+00 -2.2784100000e-01  1.2786470000e+00 -8.1030200000e-01  3.7264900000e-01 -1.1102160000e+00 -8.0885000000e-02  4.4364400000e-01 -1.7259610000e+00 -4.0691500000e-01  7.9802000000e-02 -2.9305500000e-01
-ENERGY -1.526584415635e+02
-FORCES  2.0592000000e-03  6.1920000000e-04 -3.1183000000e-03  5.5600000000e-05  6.4520000000e-03 -2.2848000000e-03 -4.4207000000e-03 -2.0022000000e-03 -5.1720000000e-04  1.1093300000e-02 -1.0387000000e-03  9.8031000000e-03 -1.9937000000e-03 -3.0760000000e-04  1.1354000000e-03 -6.7938000000e-03 -3.7227000000e-03 -5.0181000000e-03
-
-JOB 15
-COORDS  5.0391100000e-01  1.2832560000e+00  4.0288500000e-01 -1.1304800000e-01  6.0653800000e-01  1.2423200000e-01  1.3642950000e+00  9.3396100000e-01  1.7058400000e-01 -5.6577300000e-01 -1.1650000000e+00 -3.7261600000e-01 -1.2087100000e-01 -1.5516570000e+00  3.8156500000e-01 -2.3676900000e-01 -1.6581690000e+00 -1.1241300000e+00
-ENERGY -1.526587966808e+02
-FORCES -3.4365000000e-03 -1.1846400000e-02 -6.9924000000e-03  2.6869000000e-03  5.9715000000e-03  5.7641000000e-03 -1.6264000000e-03  7.3390000000e-04  1.4339000000e-03  4.1840000000e-03 -3.8260000000e-04 -1.3840000000e-04 -1.2045000000e-03  3.7256000000e-03 -4.6831000000e-03 -6.0350000000e-04  1.7981000000e-03  4.6157000000e-03
-
-JOB 16
-COORDS  7.0417300000e-01 -8.2636400000e-01 -9.1075400000e-01  2.6263100000e-01 -6.7554000000e-01 -1.7465320000e+00  2.4791400000e-01 -2.5614400000e-01 -2.9195800000e-01 -6.4619800000e-01  7.1902200000e-01  9.0267300000e-01 -6.7463200000e-01  1.1165020000e+00  1.7729790000e+00 -7.4956900000e-01  1.4548640000e+00  2.9928000000e-01
-ENERGY -1.526579127815e+02
-FORCES -6.9011000000e-03  5.1057000000e-03  8.3415000000e-03  6.6390000000e-04  1.3642000000e-03  3.4822000000e-03  2.1339000000e-03 -5.0800000000e-05 -9.4832000000e-03  3.1900000000e-03 -1.1380000000e-04  9.4160000000e-04 -1.1774000000e-03 -1.6680000000e-04 -4.9060000000e-03  2.0907000000e-03 -6.1385000000e-03  1.6239000000e-03
-
-JOB 17
-COORDS  3.2647200000e-01 -6.5122000000e-01  1.1413760000e+00 -3.1401100000e-01 -2.3969800000e-01  1.7216010000e+00  1.1741570000e+00 -3.4627500000e-01  1.4649060000e+00 -3.3566400000e-01  6.8271200000e-01 -1.1797810000e+00 -5.2813800000e-01  2.6565600000e-01 -2.0195730000e+00 -2.1264500000e-01 -4.6651000000e-02 -5.7222300000e-01
-ENERGY -1.526611479680e+02
-FORCES  1.5699000000e-03  6.2838000000e-03  6.4230000000e-04  3.4031000000e-03 -2.0669000000e-03 -3.2783000000e-03 -4.3691000000e-03 -1.6949000000e-03 -2.0120000000e-04  2.9229000000e-03 -7.0921000000e-03  7.7285000000e-03  1.1189000000e-03 -2.0200000000e-04  3.9542000000e-03 -4.6457000000e-03  4.7721000000e-03 -8.8455000000e-03
-
-JOB 18
-COORDS  4.8034700000e-01  6.3773600000e-01  1.1604970000e+00 -5.4327000000e-02  3.5829100000e-01  4.1735100000e-01  5.3281400000e-01  1.5895700000e+00  1.0739420000e+00 -4.2206700000e-01 -6.1587700000e-01 -1.1178680000e+00 -1.3671970000e+00 -7.5383900000e-01 -1.0552070000e+00 -5.2141000000e-02 -1.4982290000e+00 -1.1468910000e+00
-ENERGY -1.526599151358e+02
-FORCES -3.4021000000e-03 -3.6991000000e-03 -1.2004800000e-02 -5.1030000000e-04  5.2207000000e-03  9.4183000000e-03 -1.0136000000e-03 -3.1946000000e-03 -8.6330000000e-04  2.6315000000e-03 -4.2783000000e-03  2.2212000000e-03  5.6604000000e-03  1.9328000000e-03  1.9520000000e-03 -3.3658000000e-03  4.0185000000e-03 -7.2340000000e-04
-
-JOB 19
-COORDS  5.1815000000e-01 -1.1956100000e+00 -5.7229600000e-01  9.4466300000e-01 -8.8332700000e-01 -1.3702930000e+00  5.9933000000e-02 -4.2846900000e-01 -2.2913100000e-01 -5.1844700000e-01  1.0627710000e+00  5.7649000000e-01 -6.5640100000e-01  1.4090300000e+00  1.4581390000e+00 -3.3662100000e-01  1.8351000000e+00  4.1065000000e-02
-ENERGY -1.526592193715e+02
-FORCES -4.2781000000e-03  1.1310300000e-02  4.9888000000e-03 -1.6823000000e-03  5.4200000000e-04  2.5749000000e-03  3.0310000000e-03 -5.8819000000e-03 -6.3727000000e-03  2.8816000000e-03 -2.3319000000e-03  1.1143000000e-03  4.7940000000e-04  6.3440000000e-04 -4.9059000000e-03 -4.3160000000e-04 -4.2729000000e-03  2.6007000000e-03
-
-JOB 20
-COORDS -4.8368000000e-02  1.3530500000e+00 -3.7879400000e-01  2.4319200000e-01  4.7496700000e-01 -1.3344800000e-01  7.3113800000e-01  1.9002510000e+00 -2.8301500000e-01  3.0129000000e-02 -1.2858230000e+00  3.3033100000e-01 -6.4386600000e-01 -1.8133840000e+00 -9.8204000000e-02  2.1800000000e-03 -1.5594280000e+00  1.2471680000e+00
-ENERGY -1.526608443932e+02
-FORCES  1.8850000000e-03 -1.1274500000e-02  3.0308000000e-03  1.3462000000e-03  1.0105000000e-02 -2.6276000000e-03 -1.8305000000e-03 -3.3754000000e-03  7.8840000000e-04 -4.5724000000e-03  2.7285000000e-03 -2.1800000000e-05  3.3257000000e-03  1.2667000000e-03  3.3950000000e-03 -1.5400000000e-04  5.4970000000e-04 -4.5649000000e-03
-
-JOB 21
-COORDS -1.0414900000e-01  8.3721100000e-01 -1.0593930000e+00 -7.7283500000e-01  3.2006000000e-01 -1.5084430000e+00 -5.0977100000e-01  1.6947150000e+00 -9.3136800000e-01  1.1358200000e-01 -8.6391600000e-01  1.1208900000e+00  1.6365900000e-01 -3.1953200000e-01  3.3516100000e-01  9.6138500000e-01 -1.3065000000e+00  1.1606430000e+00
-ENERGY -1.526613473896e+02
-FORCES -4.0997000000e-03  1.4004000000e-03  2.1387000000e-03  3.9924000000e-03  2.2456000000e-03  4.0476000000e-03  1.2719000000e-03 -4.4353000000e-03 -1.9193000000e-03  2.0581000000e-03  8.1099000000e-03 -9.2233000000e-03 -7.8450000000e-04 -9.2702000000e-03  6.2601000000e-03 -2.4382000000e-03  1.9497000000e-03 -1.3038000000e-03
-
-JOB 22
-COORDS  8.9377400000e-01 -4.7596200000e-01 -9.9875000000e-01  3.0500600000e-01 -2.5179100000e-01 -2.7810400000e-01  1.3309630000e+00 -1.2774060000e+00 -7.1102600000e-01 -8.9873800000e-01  5.4718900000e-01  8.8494100000e-01 -4.0180000000e-01  8.0987500000e-01  1.6597190000e+00 -1.1548740000e+00 -3.5838400000e-01  1.0597650000e+00
-ENERGY -1.526571634711e+02
-FORCES -6.6875000000e-03  4.7792000000e-03  8.1388000000e-03  5.2371000000e-03 -9.2925000000e-03 -3.8798000000e-03 -3.0738000000e-03  3.1136000000e-03  1.0003000000e-03  2.7360000000e-04 -3.5100000000e-05  3.5894000000e-03 -2.1884000000e-03 -2.7809000000e-03 -4.7430000000e-03  6.4391000000e-03  4.2156000000e-03 -4.1058000000e-03
-
-JOB 23
-COORDS  5.4827400000e-01 -9.3832600000e-01 -7.9850100000e-01  1.3985020000e+00 -9.4965300000e-01 -3.5893800000e-01  2.8293000000e-01 -1.8574200000e+00 -8.3154000000e-01 -6.4080400000e-01  9.8675800000e-01  8.0475900000e-01 -1.2081500000e-01  1.7805390000e+00  6.7924400000e-01 -1.0009500000e-01  2.8564200000e-01  4.4102400000e-01
-ENERGY -1.526577843032e+02
-FORCES -1.2729000000e-03 -3.0766000000e-03  6.0830000000e-04 -7.1414000000e-03  2.8113000000e-03  2.4040000000e-04  2.4555000000e-03  4.6502000000e-03  1.8270000000e-04  5.1189000000e-03 -7.1672000000e-03 -9.4109000000e-03 -5.1010000000e-04 -3.3766000000e-03  1.7840000000e-04  1.3501000000e-03  6.1590000000e-03  8.2010000000e-03
-
-JOB 24
-COORDS -3.9238700000e-01  1.3659040000e+00  1.5887000000e-02 -9.9854900000e-01  1.5274280000e+00 -7.0710000000e-01 -2.1031300000e-01  4.2724000000e-01 -2.8744000000e-02  3.6913300000e-01 -1.2871490000e+00 -5.4180000000e-03  2.1150100000e-01 -1.9055300000e+00  7.0801700000e-01  1.3157330000e+00 -1.3171590000e+00 -1.4426700000e-01
-ENERGY -1.526618174297e+02
-FORCES  1.5008000000e-03 -1.2718000000e-02 -1.4313000000e-03  1.9180000000e-03 -1.5085000000e-03  1.9115000000e-03 -1.9215000000e-03  1.0430000000e-02 -9.1970000000e-04  1.5856000000e-03  1.7206000000e-03  2.9156000000e-03  2.0156000000e-03  2.4251000000e-03 -3.8141000000e-03 -5.0985000000e-03 -3.4940000000e-04  1.3380000000e-03
-
-JOB 25
-COORDS  7.6782800000e-01 -7.0778800000e-01  8.6150400000e-01  5.2458300000e-01 -9.7883700000e-01  1.7467140000e+00  1.4567490000e+00 -5.5961000000e-02  9.9089500000e-01 -7.6259900000e-01  7.1858200000e-01 -9.7303800000e-01 -3.8892300000e-01  3.5024000000e-02 -4.1684800000e-01 -1.6479790000e+00  8.4743800000e-01 -6.3284700000e-01
-ENERGY -1.526608093074e+02
-FORCES  4.0470000000e-04  4.5056000000e-03  1.6026000000e-03  1.3985000000e-03  2.0740000000e-03 -3.9230000000e-03 -3.5704000000e-03 -4.0055000000e-03  4.0240000000e-04  3.7079000000e-03 -7.2767000000e-03  9.1194000000e-03 -4.8011000000e-03  5.5216000000e-03 -7.0176000000e-03  2.8605000000e-03 -8.1890000000e-04 -1.8390000000e-04
-
-JOB 26
-COORDS -6.8472500000e-01 -1.8799200000e-01 -1.1550300000e+00 -1.4416090000e+00 -7.4629600000e-01 -1.3329440000e+00 -1.0169340000e+00  7.0452700000e-01 -1.2513540000e+00  7.3595500000e-01  1.4635900000e-01  1.2303530000e+00  2.6966300000e-01 -1.0835600000e-01  4.3415900000e-01  1.3829240000e+00  7.8701400000e-01  9.3501500000e-01
-ENERGY -1.526608960045e+02
-FORCES -3.2357000000e-03  1.1982000000e-03  1.6058000000e-03  3.2101000000e-03  3.7567000000e-03  5.1080000000e-04  2.1062000000e-03 -4.8558000000e-03  8.5660000000e-04 -4.0325000000e-03 -1.8856000000e-03 -1.1908200000e-02  4.6587000000e-03  2.9755000000e-03  8.5609000000e-03 -2.7068000000e-03 -1.1890000000e-03  3.7410000000e-04
-
-JOB 27
-COORDS -6.1247300000e-01  5.3213700000e-01 -1.1093820000e+00 -4.3468300000e-01 -2.4915400000e-01 -1.6330300000e+00 -1.0524400000e-01  1.2250300000e+00 -1.5322890000e+00  5.9869800000e-01 -4.9809300000e-01  1.2188380000e+00  7.1748800000e-01 -1.4062860000e+00  9.4080100000e-01  8.0629000000e-02 -9.8943000000e-02  5.1990000000e-01
-ENERGY -1.526596894787e+02
-FORCES  4.3704000000e-03  2.6470000000e-04 -2.7352000000e-03  1.7230000000e-04  3.3663000000e-03  4.7109000000e-03 -2.6881000000e-03 -4.1882000000e-03  1.5255000000e-03 -6.2231000000e-03  3.3149000000e-03 -1.0465900000e-02 -6.1290000000e-04  2.9541000000e-03 -5.4520000000e-04  4.9814000000e-03 -5.7118000000e-03  7.5099000000e-03
-
-JOB 28
-COORDS -3.0740000000e-03  7.5303900000e-01  1.2276010000e+00  9.1764600000e-01  8.8810900000e-01  1.4517930000e+00  1.9416000000e-02  2.4432800000e-01  4.1708300000e-01 -6.7380000000e-02 -7.3646300000e-01 -1.1325830000e+00 -4.4168200000e-01 -1.9500800000e-01 -1.8275330000e+00  6.6212500000e-01 -1.1935440000e+00 -1.5510710000e+00
-ENERGY -1.526609574554e+02
-FORCES  2.4017000000e-03 -7.3692000000e-03 -1.0024200000e-02 -2.3464000000e-03 -8.7750000000e-04 -1.2993000000e-03 -5.8740000000e-04  7.0226000000e-03  7.7658000000e-03  1.3884000000e-03  1.2243000000e-03 -1.3684000000e-03  2.8810000000e-03 -2.8867000000e-03  3.7026000000e-03 -3.7373000000e-03  2.8864000000e-03  1.2234000000e-03
-
-JOB 29
-COORDS  1.3352030000e+00  3.3432000000e-02 -5.1698100000e-01  4.8575800000e-01  2.2278300000e-01 -1.1845600000e-01  1.8584540000e+00  8.1750400000e-01 -3.5063700000e-01 -1.3025810000e+00 -2.5566000000e-02  4.6490600000e-01 -8.2743700000e-01 -5.9557800000e-01  1.0695190000e+00 -2.0341890000e+00 -5.5998700000e-01  1.5607700000e-01
-ENERGY -1.526590652006e+02
-FORCES -8.7579000000e-03  3.5647000000e-03  9.9850000000e-04  9.4379000000e-03 -2.9605000000e-03  3.7862000000e-03 -2.9127000000e-03 -2.4022000000e-03  1.5360000000e-04 -1.0841000000e-03 -5.4001000000e-03 -2.2739000000e-03  4.5790000000e-04  5.2482000000e-03 -5.7834000000e-03  2.8589000000e-03  1.9499000000e-03  3.1190000000e-03
-
-JOB 30
-COORDS -2.7108000000e-02 -1.3953950000e+00  4.4166600000e-01  2.3163700000e-01 -4.8172500000e-01  3.2129200000e-01 -5.6085200000e-01 -1.5969240000e+00 -3.2692700000e-01 -1.0779000000e-02  1.3140750000e+00 -3.8610900000e-01  6.2528700000e-01  1.3841840000e+00 -1.0979630000e+00  3.0728500000e-01  1.9226720000e+00  2.8073200000e-01
-ENERGY -1.526595968421e+02
-FORCES -3.0699000000e-03  1.2336000000e-02 -6.0208000000e-03  3.4904000000e-03 -7.8182000000e-03  3.6548000000e-03  1.9208000000e-03 -8.1810000000e-04  1.7793000000e-03  1.5945000000e-03  2.6576000000e-03 -5.2290000000e-04 -3.1862000000e-03 -1.7372000000e-03  4.5657000000e-03 -7.4970000000e-04 -4.6201000000e-03 -3.4561000000e-03
-
-JOB 31
-COORDS  1.2819400000e-01  1.2823720000e+00 -4.4400300000e-01 -8.2477200000e-01  1.2107470000e+00 -3.8962300000e-01  2.9923100000e-01  2.2240730000e+00 -4.3065200000e-01 -9.1121000000e-02 -1.3941900000e+00  3.9033000000e-01 -1.6290700000e-01 -1.4272350000e+00  1.3442620000e+00  1.5646200000e-01 -4.8947100000e-01  1.9949300000e-01
-ENERGY -1.526598214537e+02
-FORCES -1.3253000000e-03  1.9061000000e-03  9.1700000000e-05  6.5518000000e-03 -7.0330000000e-04  1.5776000000e-03 -2.7160000000e-03 -3.8456000000e-03 -4.3170000000e-04  4.3019000000e-03  8.3998000000e-03  5.1260000000e-04 -2.2250000000e-04  8.4110000000e-04 -3.1640000000e-03 -6.5899000000e-03 -6.5980000000e-03  1.4138000000e-03
-
-JOB 32
-COORDS -1.2332030000e+00 -7.6446000000e-01 -4.5067000000e-02 -1.3077030000e+00 -1.0244660000e+00 -9.6326000000e-01 -4.6893700000e-01 -1.8870200000e-01 -1.9932000000e-02  1.1325880000e+00  7.5520200000e-01  1.3092300000e-01  1.3381220000e+00  1.0529470000e+00 -7.5526800000e-01  1.9355240000e+00  3.3128000000e-01  4.3393400000e-01
-ENERGY -1.526603617862e+02
-FORCES  1.0359200000e-02  6.0849000000e-03 -5.8140000000e-04  1.2828000000e-03  1.5383000000e-03  2.4439000000e-03 -9.2709000000e-03 -4.9718000000e-03 -2.9798000000e-03  3.0111000000e-03 -2.4330000000e-03 -5.1570000000e-04 -2.0486000000e-03 -3.1681000000e-03  4.2165000000e-03 -3.3336000000e-03  2.9497000000e-03 -2.5834000000e-03
-
-JOB 33
-COORDS  9.7902200000e-01 -8.4864200000e-01 -6.7710300000e-01  3.2359000000e-01 -5.6702300000e-01 -3.8878000000e-02  4.6894700000e-01 -1.2190920000e+00 -1.3973960000e+00 -9.2232400000e-01  7.9664400000e-01  7.1350700000e-01 -3.2615200000e-01  1.4685010000e+00  1.0442910000e+00 -1.2197900000e+00  1.1345780000e+00 -1.3120900000e-01
-ENERGY -1.526602136396e+02
-FORCES -9.1466000000e-03  3.1406000000e-03  4.9540000000e-03  6.9747000000e-03 -4.5502000000e-03 -5.8163000000e-03  9.6420000000e-04  2.3180000000e-03  2.2125000000e-03  2.5123000000e-03  5.7352000000e-03 -3.3229000000e-03 -3.0297000000e-03 -3.7606000000e-03 -1.8893000000e-03  1.7251000000e-03 -2.8831000000e-03  3.8620000000e-03
-
-JOB 34
-COORDS  7.2281400000e-01  6.5688000000e-01  9.7454800000e-01  1.2330230000e+00  1.3619230000e+00  5.7600800000e-01  1.9675400000e-01  1.0912780000e+00  1.6459580000e+00 -7.9052000000e-01 -7.2180400000e-01 -9.9257500000e-01 -1.8844500000e-01 -1.0650800000e+00 -1.6528020000e+00 -2.2178100000e-01 -4.0277900000e-01 -2.9186800000e-01
-ENERGY -1.526614304811e+02
-FORCES -2.1083000000e-03  4.3417000000e-03 -5.9010000000e-04 -2.4620000000e-03 -3.3722000000e-03  2.2835000000e-03  3.2317000000e-03 -1.4029000000e-03 -3.4435000000e-03  7.8488000000e-03  3.9267000000e-03  7.0602000000e-03 -1.0490000000e-03  1.9155000000e-03  2.2805000000e-03 -5.4613000000e-03 -5.4087000000e-03 -7.5906000000e-03
-
-JOB 35
-COORDS -8.9092100000e-01 -1.0158630000e+00 -5.0669900000e-01 -8.0493500000e-01 -1.9360960000e+00 -2.5768100000e-01 -1.5373500000e-01 -5.8129600000e-01 -7.7816000000e-02  8.7009100000e-01  9.9719800000e-01  4.4169300000e-01  3.6919000000e-01  1.0468580000e+00  1.2558570000e+00  8.6977400000e-01  1.8931150000e+00  1.0470100000e-01
-ENERGY -1.526596344976e+02
-FORCES  7.4385000000e-03  4.4158000000e-03  1.5429000000e-03  8.1420000000e-04  4.0362000000e-03  2.5670000000e-04 -7.1670000000e-03 -7.5146000000e-03  1.8629000000e-03 -3.5219000000e-03  4.8931000000e-03 -1.7177000000e-03  1.9726000000e-03 -2.6050000000e-03 -5.2014000000e-03  4.6350000000e-04 -3.2255000000e-03  3.2566000000e-03
-
-JOB 36
-COORDS  2.6378000000e-01  5.0404900000e-01 -1.3485430000e+00  9.3811800000e-01  1.1787620000e+00 -1.2694120000e+00  6.9309000000e-02  2.5207400000e-01 -4.4581300000e-01 -2.6594000000e-01 -4.9655700000e-01  1.2309000000e+00  2.1690700000e-01 -1.1087920000e+00  1.7861100000e+00 -1.1300690000e+00 -4.3383900000e-01  1.6378160000e+00
-ENERGY -1.526614317893e+02
-FORCES -1.9110000000e-04 -2.3921000000e-03  1.0636600000e-02 -1.8006000000e-03 -2.2440000000e-03  3.5540000000e-04  7.4480000000e-04  4.5447000000e-03 -8.5393000000e-03  1.1650000000e-04 -1.9443000000e-03 -2.2530000000e-04 -3.5069000000e-03  2.9635000000e-03 -1.0679000000e-03  4.6372000000e-03 -9.2790000000e-04 -1.1595000000e-03
-
-JOB 37
-COORDS -6.5725300000e-01 -1.2213090000e+00  3.2091200000e-01  5.5050000000e-03 -1.3242220000e+00  1.0038420000e+00 -2.9727500000e-01 -1.6856270000e+00 -4.3477100000e-01  6.2547700000e-01  1.2826870000e+00 -3.6822300000e-01  8.1396800000e-01  1.4418950000e+00  5.5663100000e-01  3.5622000000e-02  5.2883000000e-01 -3.6661600000e-01
-ENERGY -1.526587945326e+02
-FORCES  5.0691000000e-03 -3.7688000000e-03  1.0535000000e-03 -3.1564000000e-03  2.2066000000e-03 -3.7271000000e-03 -1.5440000000e-03  4.9971000000e-03  3.5921000000e-03 -7.1116000000e-03 -7.9727000000e-03  5.8665000000e-03  4.0970000000e-04 -9.8910000000e-04 -2.5607000000e-03  6.3331000000e-03  5.5269000000e-03 -4.2244000000e-03
-
-JOB 38
-COORDS  1.4494000000e-01  2.0315000000e-02 -1.3613040000e+00 -5.3562200000e-01 -6.1144100000e-01 -1.5935790000e+00  5.6672100000e-01  2.3542600000e-01 -2.1932060000e+00 -1.4925500000e-01  5.9470000000e-02  1.4452580000e+00 -4.3718000000e-01 -8.1952600000e-01  1.6916250000e+00  4.9189000000e-01 -8.4298000000e-02  7.4920000000e-01
-ENERGY -1.526571371290e+02
-FORCES -3.8745000000e-03 -8.3640000000e-04 -1.9852000000e-03  4.0963000000e-03  2.0676000000e-03  4.3200000000e-04 -2.3975000000e-03 -9.9010000000e-04  4.0612000000e-03  2.5810000000e-03 -2.1578000000e-03 -8.4634000000e-03  3.2130000000e-04  2.8745000000e-03 -1.8960000000e-03 -7.2650000000e-04 -9.5780000000e-04  7.8514000000e-03
-
-JOB 39
-COORDS -3.5980000000e-03  5.9757100000e-01  1.3331670000e+00  2.0804500000e-01  3.1847600000e-01  4.4235500000e-01  7.6779300000e-01  3.6134600000e-01  1.8483210000e+00 -1.9705000000e-02 -5.0959600000e-01 -1.3186780000e+00 -9.6923600000e-01 -5.9222200000e-01 -1.2303850000e+00  3.0318700000e-01 -1.4102590000e+00 -1.2907890000e+00
-ENERGY -1.526611854746e+02
-FORCES  3.7193000000e-03 -3.5018000000e-03 -8.9760000000e-03 -1.7526000000e-03  3.0809000000e-03  1.0486900000e-02 -2.2135000000e-03 -1.2720000000e-04 -2.5122000000e-03 -4.1538000000e-03 -4.6518000000e-03  5.1400000000e-05  5.8976000000e-03  4.9060000000e-04  2.5690000000e-04 -1.4970000000e-03  4.7093000000e-03  6.9300000000e-04
-
-JOB 40
-COORDS  1.0373610000e+00 -9.0197300000e-01 -3.0647500000e-01  1.7952730000e+00 -8.4287800000e-01  2.7516700000e-01  5.1000200000e-01 -1.6128150000e+00  5.7981000000e-02 -1.0525480000e+00  9.9766900000e-01  2.1593400000e-01 -3.9319900000e-01  3.0655400000e-01  1.5387800000e-01 -1.6657340000e+00  6.8530900000e-01  8.8126600000e-01
-ENERGY -1.526587116685e+02
-FORCES  3.5772000000e-03 -2.7879000000e-03  2.0748000000e-03 -4.6989000000e-03 -7.6260000000e-04 -2.6586000000e-03  5.7650000000e-04  7.3594000000e-03 -3.9510000000e-04  7.1439000000e-03 -6.5559000000e-03 -1.1854000000e-03 -9.8574000000e-03  3.3988000000e-03  4.4957000000e-03  3.2588000000e-03 -6.5180000000e-04 -2.3313000000e-03
-
-JOB 41
-COORDS -6.9583000000e-02 -9.6027100000e-01  1.1368390000e+00  9.7177000000e-02 -5.8231500000e-01  2.7337400000e-01 -7.7918900000e-01 -4.2919700000e-01  1.4982950000e+00  1.0896300000e-01  8.4669900000e-01 -1.1223880000e+00  7.5958500000e-01  1.4348170000e+00 -7.3893000000e-01 -6.7900300000e-01  1.3834200000e+00 -1.2076720000e+00
-ENERGY -1.526599901654e+02
-FORCES -2.3846000000e-03  7.7483000000e-03 -8.8521000000e-03  1.6683000000e-03 -5.2153000000e-03  7.6597000000e-03  1.8983000000e-03 -1.3547000000e-03 -3.3790000000e-04 -1.1570000000e-03  4.6748000000e-03  1.4243000000e-03 -4.1116000000e-03 -3.6248000000e-03 -1.1931000000e-03  4.0866000000e-03 -2.2283000000e-03  1.2991000000e-03
-
-JOB 42
-COORDS -1.4307500000e+00 -3.6307200000e-01 -2.9725000000e-02 -1.6813750000e+00 -4.0126200000e-01 -9.5274200000e-01 -5.1875600000e-01 -7.2584000000e-02 -4.0501000000e-02  1.3260470000e+00  3.7002300000e-01  8.8370000000e-02  1.9702380000e+00  4.0092100000e-01 -6.1894500000e-01  1.7865410000e+00 -5.1211000000e-02  8.1413800000e-01
-ENERGY -1.526613964658e+02
-FORCES  1.0199900000e-02  3.2553000000e-03 -2.4440000000e-03  1.3621000000e-03  2.3310000000e-04  2.4088000000e-03 -9.8982000000e-03 -2.9112000000e-03  3.8070000000e-04  2.2569000000e-03 -2.3146000000e-03  1.0950000000e-04 -2.4284000000e-03 -4.7830000000e-04  3.8432000000e-03 -1.4923000000e-03  2.2157000000e-03 -4.2981000000e-03
-
-JOB 43
-COORDS -2.0417000000e-01 -7.2720300000e-01  1.2854200000e+00 -1.7367100000e-01 -3.3547500000e-01  4.1257900000e-01  2.9982100000e-01 -1.2741200000e-01  1.8353970000e+00  2.1454800000e-01  6.6658200000e-01 -1.2071760000e+00  2.2267600000e-01  6.8468000000e-02 -1.9544540000e+00 -4.6203200000e-01  1.3089480000e+00 -1.4212750000e+00
-ENERGY -1.526616159004e+02
-FORCES  4.0012000000e-03  7.6511000000e-03 -8.3278000000e-03 -2.9520000000e-03 -6.0013000000e-03  7.7830000000e-03 -1.8090000000e-03 -1.6676000000e-03 -1.0277000000e-03 -1.6950000000e-03  6.7240000000e-04 -3.8469000000e-03 -9.5460000000e-04  3.1426000000e-03  4.3239000000e-03  3.4095000000e-03 -3.7972000000e-03  1.0955000000e-03
-
-JOB 44
-COORDS  5.3132900000e-01  1.0958610000e+00 -8.7337600000e-01  8.7396900000e-01  1.4422180000e+00 -4.9443000000e-02 -7.5056000000e-02  4.0396600000e-01 -6.0915800000e-01 -4.6341700000e-01 -1.0462510000e+00  7.8001700000e-01 -1.2769710000e+00 -1.3836020000e+00  4.0510800000e-01 -5.4039900000e-01 -1.2218650000e+00  1.7178150000e+00
-ENERGY -1.526578059967e+02
-FORCES -1.8856000000e-03 -7.2570000000e-03  1.0211600000e-02  4.4000000000e-05  9.7510000000e-04 -2.8643000000e-03 -1.4887000000e-03  3.2399000000e-03 -6.6714000000e-03 -1.2246000000e-03 -8.5410000000e-04  2.9621000000e-03  4.5808000000e-03  3.6299000000e-03  8.2660000000e-04 -2.5900000000e-05  2.6630000000e-04 -4.4647000000e-03
-
-JOB 45
-COORDS  1.0701290000e+00 -5.8644800000e-01 -6.8487000000e-01  9.0233200000e-01 -1.5273810000e+00 -7.3702700000e-01  1.9368180000e+00 -5.1907800000e-01 -2.8419200000e-01 -1.1055980000e+00  6.7966300000e-01  7.2440800000e-01 -1.8680050000e+00  5.3266500000e-01  1.6462400000e-01 -4.0481500000e-01  1.7364800000e-01  3.1320900000e-01
-ENERGY -1.526611800640e+02
-FORCES  4.0380000000e-03 -2.1162000000e-03  1.0593000000e-03 -5.4100000000e-05  5.4140000000e-03  1.0856000000e-03 -4.5254000000e-03 -1.2957000000e-03 -2.1271000000e-03  6.7030000000e-03 -4.2849000000e-03 -7.6838000000e-03  2.4934000000e-03 -3.5560000000e-04  1.5515000000e-03 -8.6550000000e-03  2.6384000000e-03  6.1145000000e-03
-
-JOB 46
-COORDS  3.3769300000e-01  1.0287920000e+00 -1.0422400000e+00  9.9487000000e-02  1.6710800000e+00 -3.7369300000e-01  1.2444000000e-02  1.9561100000e-01 -7.0127700000e-01 -3.5639200000e-01 -9.8858900000e-01  9.4862900000e-01  1.4662200000e-01 -6.0508800000e-01  1.6670560000e+00  4.4420000000e-03 -1.8692520000e+00  8.4634300000e-01
-ENERGY -1.526597922327e+02
-FORCES -4.9863000000e-03 -5.9141000000e-03  8.7533000000e-03  1.6763000000e-03 -1.1102000000e-03 -1.7098000000e-03  2.9711000000e-03  4.8360000000e-03 -6.8866000000e-03  4.4495000000e-03 -9.6750000000e-04  3.3613000000e-03 -2.7379000000e-03 -1.6630000000e-03 -3.5427000000e-03 -1.3727000000e-03  4.8187000000e-03  2.4600000000e-05
-
-JOB 47
-COORDS -1.3380070000e+00  4.1255200000e-01 -1.9437600000e-01 -1.6475460000e+00  5.9867900000e-01  6.9206300000e-01 -1.5648300000e+00  1.1949480000e+00 -6.9700800000e-01  1.4299500000e+00 -4.6233900000e-01  1.3905300000e-01  1.2656290000e+00 -9.9425500000e-01  9.1770300000e-01  5.8136900000e-01 -7.0510000000e-02 -6.7375000000e-02
-ENERGY -1.526607801365e+02
-FORCES -2.9747000000e-03  3.6732000000e-03  1.2439000000e-03  2.3596000000e-03 -1.0538000000e-03 -4.4498000000e-03  1.2194000000e-03 -3.7923000000e-03  3.1578000000e-03 -1.0974700000e-02  9.7510000000e-04 -3.7000000000e-06  4.2600000000e-04  1.9401000000e-03 -1.7455000000e-03  9.9444000000e-03 -1.7423000000e-03  1.7973000000e-03
-
-JOB 48
-COORDS  8.5114900000e-01  1.0857840000e+00  5.7433400000e-01  3.2510800000e-01  1.5849200000e+00  1.1991360000e+00  2.7058900000e-01  3.8489200000e-01  2.7780200000e-01 -8.2928900000e-01 -1.0429690000e+00 -5.5489200000e-01 -6.5504100000e-01 -8.4569200000e-01 -1.4751920000e+00 -2.7179000000e-01 -1.7965860000e+00 -3.6127300000e-01
-ENERGY -1.526618552456e+02
-FORCES -8.5731000000e-03 -5.6061000000e-03 -1.2647000000e-03  1.4438000000e-03 -1.7510000000e-03 -2.0011000000e-03  8.1909000000e-03  6.7725000000e-03  2.8957000000e-03  1.1740000000e-03 -4.0735000000e-03 -4.5575000000e-03 -6.3500000000e-05 -6.7970000000e-04  5.7063000000e-03 -2.1720000000e-03  5.3378000000e-03 -7.7870000000e-04
-
-JOB 49
-COORDS -4.4159900000e-01  1.2598230000e+00 -4.8973400000e-01 -2.6631900000e-01  2.2001490000e+00 -5.2574200000e-01 -1.3016670000e+00  1.1917250000e+00 -7.5153000000e-02  4.4452400000e-01 -1.3719820000e+00  4.7188200000e-01  1.0266000000e-01 -4.7855900000e-01  5.0587000000e-01  1.3904980000e+00 -1.2634050000e+00  3.7402500000e-01
-ENERGY -1.526581078903e+02
-FORCES -2.4623000000e-03  4.0420000000e-03 -5.5820000000e-04 -1.3494000000e-03 -4.4780000000e-03 -1.9300000000e-04  6.3818000000e-03 -1.1788000000e-03 -2.6200000000e-04  2.1997000000e-03  9.5192000000e-03 -4.1324000000e-03 -2.3025000000e-03 -6.6412000000e-03  4.3262000000e-03 -2.4674000000e-03 -1.2632000000e-03  8.1950000000e-04
-
-JOB 50
-COORDS -3.0946900000e-01 -1.4659700000e+00  8.8342000000e-02 -1.6831600000e-01 -5.6923800000e-01 -2.1527000000e-01 -4.7581000000e-01 -1.9664180000e+00 -7.1047900000e-01  3.2267700000e-01  1.3733280000e+00 -1.9087000000e-02  4.3061000000e-02  1.8457120000e+00 -8.0324300000e-01  4.1128300000e-01  2.0513670000e+00  6.5072200000e-01
-ENERGY -1.526596079544e+02
-FORCES  1.9078000000e-03  7.1850000000e-03 -1.7432000000e-03 -2.8897000000e-03 -9.2537000000e-03 -2.8779000000e-03  6.1620000000e-04  3.0575000000e-03  2.0948000000e-03 -3.1150000000e-04  3.8666000000e-03  3.3260000000e-03  9.1700000000e-04 -3.4745000000e-03  3.5452000000e-03 -2.3970000000e-04 -1.3808000000e-03 -4.3449000000e-03
-
-JOB 51
-COORDS  8.2955100000e-01 -6.8973200000e-01 -9.3621900000e-01  1.1289940000e+00 -1.5359000000e+00 -1.2687330000e+00  3.1817200000e-01 -3.1699900000e-01 -1.6544070000e+00 -8.6422300000e-01  7.1347700000e-01  1.0483510000e+00 -4.2882300000e-01  7.9550000000e-03  5.6991800000e-01 -4.9429300000e-01  1.5163400000e+00  6.8120600000e-01
-ENERGY -1.526600918969e+02
-FORCES  4.7420000000e-04 -2.5481000000e-03 -4.5929000000e-03 -1.6420000000e-03  4.3183000000e-03  6.7190000000e-04  2.1382000000e-03 -1.5700000000e-03  4.7933000000e-03  7.8460000000e-03 -2.8161000000e-03 -5.1551000000e-03 -6.6006000000e-03  4.6015000000e-03  3.7192000000e-03 -2.2158000000e-03 -1.9856000000e-03  5.6360000000e-04
-
-JOB 52
-COORDS -5.1070100000e-01  1.2875310000e+00 -3.4036600000e-01 -1.1597800000e+00  1.6539390000e+00 -9.4092700000e-01 -5.3635800000e-01  1.8652960000e+00  4.2236600000e-01  5.6253400000e-01 -1.3407440000e+00  3.9588300000e-01  2.2854000000e-02 -7.2308500000e-01 -9.7549000000e-02  8.5496400000e-01 -1.9778410000e+00 -2.5590300000e-01
-ENERGY -1.526604418219e+02
-FORCES -1.1932000000e-03  4.3492000000e-03  2.8897000000e-03  3.0306000000e-03 -1.7979000000e-03  2.8577000000e-03 -8.8110000000e-04 -1.4908000000e-03 -4.4663000000e-03 -2.3679000000e-03  5.5311000000e-03 -4.6570000000e-03  2.8998000000e-03 -9.2713000000e-03  1.8383000000e-03 -1.4881000000e-03  2.6797000000e-03  1.5376000000e-03
-
-JOB 53
-COORDS  7.2031800000e-01  2.7045500000e-01  1.3395940000e+00  5.6578000000e-02  9.4786200000e-01  1.4692100000e+00  3.9824800000e-01 -2.4239200000e-01  5.9831800000e-01 -6.0369500000e-01 -2.7235800000e-01 -1.2682880000e+00 -1.4855910000e+00 -4.0567200000e-01 -9.2084100000e-01 -7.1616600000e-01 -2.8248300000e-01 -2.2188030000e+00
-ENERGY -1.526583811924e+02
-FORCES -4.0839000000e-03  9.9190000000e-04 -8.3424000000e-03  1.5408000000e-03 -2.3839000000e-03  6.4760000000e-04  4.2340000000e-04  1.6330000000e-04  7.9398000000e-03 -2.2138000000e-03 -2.2600000000e-05 -4.3036000000e-03  5.2898000000e-03  1.0150000000e-03 -2.8770000000e-04 -9.5630000000e-04  2.3620000000e-04  4.3462000000e-03
-
-JOB 54
-COORDS -8.3295000000e-01 -2.2738600000e-01  1.2609540000e+00 -2.0158500000e-01 -2.7884000000e-02  5.6971600000e-01 -1.2894070000e+00  5.9973100000e-01  1.4150780000e+00  8.3164400000e-01  2.0006000000e-01 -1.1713360000e+00  2.1976200000e-01  4.2304400000e-01 -1.8728410000e+00  1.2905710000e+00 -5.7671700000e-01 -1.4910790000e+00
-ENERGY -1.526615886625e+02
-FORCES  5.0003000000e-03  4.1463000000e-03 -6.5193000000e-03 -6.3869000000e-03 -1.5307000000e-03  8.4334000000e-03  1.2744000000e-03 -2.5032000000e-03 -1.2316000000e-03 -3.9790000000e-04 -3.0154000000e-03 -5.1728000000e-03  3.0440000000e-03 -1.0774000000e-03  3.5460000000e-03 -2.5340000000e-03  3.9804000000e-03  9.4440000000e-04
-
-JOB 55
-COORDS -5.4736100000e-01 -1.2303380000e+00 -5.2402000000e-01 -1.2366530000e+00 -1.0129450000e+00 -1.1515940000e+00 -1.7482700000e-01 -2.0492670000e+00 -8.5083200000e-01  6.1131900000e-01  1.2955160000e+00  5.4675600000e-01  2.2648600000e-01  1.5902610000e+00  1.3721410000e+00  1.6916900000e-01  4.6783800000e-01  3.5785600000e-01
-ENERGY -1.526615328118e+02
-FORCES  4.4520000000e-04 -2.9817000000e-03 -4.3352000000e-03  3.3053000000e-03 -1.4012000000e-03  3.1079000000e-03 -3.0427000000e-03  3.1891000000e-03  5.3990000000e-04 -3.5976000000e-03 -6.9032000000e-03 -1.2700000000e-05  7.5320000000e-04 -1.4270000000e-03 -2.8976000000e-03  2.1366000000e-03  9.5240000000e-03  3.5978000000e-03
-
-JOB 56
-COORDS -1.4537000000e-01  5.1017800000e-01 -1.4073250000e+00 -1.0903590000e+00  6.5681600000e-01 -1.4488420000e+00  2.1952800000e-01  1.3625180000e+00 -1.1694240000e+00  1.3516200000e-01 -5.5422800000e-01  1.4392850000e+00  1.2969000000e-01 -3.7448500000e-01  4.9912900000e-01  9.7465000000e-01 -9.8655400000e-01  1.5960830000e+00
-ENERGY -1.526615542626e+02
-FORCES -3.5183000000e-03  5.9753000000e-03 -2.1404000000e-03  5.0834000000e-03 -6.6020000000e-04  7.2560000000e-04 -1.7511000000e-03 -5.1370000000e-03 -3.3060000000e-04  2.0435000000e-03 -2.9440000000e-04 -7.7845000000e-03  7.1410000000e-04 -1.7734000000e-03  1.0481500000e-02 -2.5717000000e-03  1.8899000000e-03 -9.5170000000e-04
-
-JOB 57
-COORDS -1.1172060000e+00  7.7922400000e-01  7.0629800000e-01 -3.3196800000e-01  4.8400900000e-01  1.1672540000e+00 -1.0860370000e+00  1.7340290000e+00  7.6635000000e-01  1.0192730000e+00 -8.7225500000e-01 -7.3410300000e-01  1.1731930000e+00 -2.6834500000e-01 -1.4606250000e+00  1.6491200000e+00 -6.0693000000e-01 -6.3933000000e-02
-ENERGY -1.526513224595e+02
-FORCES  4.8858000000e-03 -6.0870000000e-04  7.1090000000e-04 -2.2844000000e-03  2.7306000000e-03  4.4690000000e-04  6.1340000000e-04 -4.1647000000e-03 -1.2208000000e-03  5.2160000000e-04  5.1940000000e-03 -1.7619000000e-03  6.1090000000e-04 -2.9214000000e-03  2.8091000000e-03 -4.3473000000e-03 -2.2970000000e-04 -9.8410000000e-04
-
-JOB 58
-COORDS -4.3430000000e-01 -1.1593400000e-01 -1.4276700000e+00 -2.5422900000e-01 -7.8210900000e-01 -2.0910080000e+00 -1.3885570000e+00 -1.0252300000e-01 -1.3538810000e+00  4.5838700000e-01  2.1434900000e-01  1.5027930000e+00  1.0574490000e+00 -4.6317500000e-01  1.8163480000e+00  2.5935500000e-01 -3.9639000000e-02  6.0162300000e-01
-ENERGY -1.526609634523e+02
-FORCES -3.8176000000e-03 -1.9110000000e-03 -4.8617000000e-03 -1.3769000000e-03  2.9975000000e-03  3.0706000000e-03  5.0972000000e-03 -7.5610000000e-04 -2.2550000000e-04  6.8670000000e-04 -3.0147000000e-03 -6.8127000000e-03 -1.9957000000e-03  1.9803000000e-03 -1.4159000000e-03  1.4063000000e-03  7.0400000000e-04  1.0245200000e-02
-
-JOB 59
-COORDS  7.1596300000e-01 -1.4554330000e+00 -2.9116600000e-01  5.1387300000e-01 -5.2244600000e-01 -2.2097600000e-01 -6.7559000000e-02 -1.8419420000e+00 -6.8223700000e-01 -6.2224700000e-01  1.4229490000e+00  2.4710400000e-01 -4.4054600000e-01  1.9996070000e+00  9.8918300000e-01 -1.3360010000e+00  8.6108600000e-01  5.4892700000e-01
-ENERGY -1.526593612407e+02
-FORCES -3.4058000000e-03  5.5944000000e-03 -1.7452000000e-03  1.3983000000e-03 -9.0419000000e-03 -4.0490000000e-04  2.1619000000e-03  1.4976000000e-03  2.1087000000e-03 -3.2270000000e-03  3.1903000000e-03  5.7474000000e-03 -1.5124000000e-03 -2.6277000000e-03 -3.3683000000e-03  4.5849000000e-03  1.3874000000e-03 -2.3376000000e-03
-
-JOB 60
-COORDS -1.0270100000e+00  2.3890200000e-01 -1.2029700000e+00 -9.0200900000e-01  2.0359000000e-02 -2.1264660000e+00 -2.5987100000e-01  7.6386400000e-01 -9.7461800000e-01  9.7860000000e-01 -3.2751700000e-01  1.2546820000e+00  1.5667350000e+00  2.2506500000e-01  7.3991700000e-01  3.1923000000e-01  2.7657600000e-01  1.5960560000e+00
-ENERGY -1.526518058945e+02
-FORCES  4.8414000000e-03 -9.1690000000e-04 -1.7798000000e-03 -2.8890000000e-04  9.9690000000e-04  3.9006000000e-03 -2.7232000000e-03  8.5800000000e-05 -5.0180000000e-04 -2.0221000000e-03  3.1976000000e-03 -3.0720000000e-04 -3.7489000000e-03 -1.6786000000e-03  5.6310000000e-04  3.9418000000e-03 -1.6849000000e-03 -1.8748000000e-03
-
-JOB 61
-COORDS -2.8482300000e-01  1.3730390000e+00 -8.9223100000e-01 -5.5121100000e-01  8.7522300000e-01 -1.6651790000e+00  2.3411100000e-01  7.5589500000e-01 -3.7641000000e-01  2.1838400000e-01 -1.2924730000e+00  8.6662200000e-01  1.0546420000e+00 -1.6719020000e+00  5.9655200000e-01  2.7937700000e-01 -1.2311490000e+00  1.8199060000e+00
-ENERGY -1.526585105932e+02
-FORCES -5.3900000000e-05 -7.9615000000e-03  1.6575000000e-03  1.2001000000e-03  2.3220000000e-03  1.8787000000e-03  5.4880000000e-04  6.6186000000e-03 -4.6615000000e-03  1.9857000000e-03 -3.8284000000e-03  5.3316000000e-03 -3.9780000000e-03  3.3716000000e-03  4.4150000000e-04  2.9750000000e-04 -5.2230000000e-04 -4.6478000000e-03
-
-JOB 62
-COORDS  5.7581600000e-01 -9.2371600000e-01 -1.3387390000e+00  8.8790600000e-01 -1.2157290000e+00 -4.8225800000e-01  6.4561600000e-01  3.0410000000e-02 -1.3070770000e+00 -5.4565100000e-01  8.9629500000e-01  1.3263570000e+00 -1.1587120000e+00  1.6673100000e-01  1.4165040000e+00 -8.4820400000e-01  1.3696380000e+00  5.5134700000e-01
-ENERGY -1.526561812382e+02
-FORCES  2.7342000000e-03  3.6309000000e-03  5.8098000000e-03 -1.3991000000e-03 -6.6900000000e-04 -4.2872000000e-03 -1.5016000000e-03 -2.9617000000e-03 -1.7694000000e-03 -5.7741000000e-03 -1.2047000000e-03 -2.5506000000e-03  3.1843000000e-03  3.0935000000e-03  2.1750000000e-04  2.7563000000e-03 -1.8891000000e-03  2.5799000000e-03
-
-JOB 63
-COORDS -7.5943300000e-01  9.2302800000e-01  1.1247850000e+00 -4.2862400000e-01  1.7894030000e+00  1.3618300000e+00 -7.7576500000e-01  4.3832600000e-01  1.9500300000e+00  7.3968200000e-01 -1.0134750000e+00 -1.2009940000e+00  1.2695550000e+00 -3.5613300000e-01 -1.6519560000e+00  2.6564800000e-01 -5.2108800000e-01 -5.3086000000e-01
-ENERGY -1.526597952862e+02
-FORCES -7.5400000000e-05  3.4089000000e-03  6.2955000000e-03 -1.4735000000e-03 -3.9793000000e-03 -8.0210000000e-04  4.3720000000e-04  2.3274000000e-03 -4.0837000000e-03 -1.6465000000e-03  6.3663000000e-03  2.5514000000e-03 -1.4225000000e-03 -2.3707000000e-03  1.2983000000e-03  4.1806000000e-03 -5.7527000000e-03 -5.2595000000e-03
-
-JOB 64
-COORDS  9.1815600000e-01 -1.4998520000e+00 -2.6487000000e-02  5.5767200000e-01 -6.2441800000e-01 -1.6754500000e-01  2.4834600000e-01 -1.9559800000e+00  4.8295700000e-01 -7.9761200000e-01  1.4898040000e+00  2.1682000000e-02 -1.5306370000e+00  1.2714610000e+00  5.9721000000e-01 -1.1715160000e+00  1.4748790000e+00 -8.5934300000e-01
-ENERGY -1.526584520350e+02
-FORCES -4.4068000000e-03  4.5019000000e-03  2.1212000000e-03  2.8636000000e-03 -7.7944000000e-03 -1.0753000000e-03  2.1610000000e-03  1.2980000000e-03 -1.8582000000e-03 -6.5853000000e-03  2.9823000000e-03 -6.7700000000e-04  3.6632000000e-03  1.2980000000e-04 -2.9634000000e-03  2.3044000000e-03 -1.1177000000e-03  4.4528000000e-03
-
-JOB 65
-COORDS -1.3338700000e+00 -6.7659800000e-01  7.1960600000e-01 -1.7568530000e+00 -1.4022570000e+00  2.6054600000e-01 -1.6934210000e+00 -7.1122000000e-01  1.6060350000e+00  1.3962370000e+00  7.1715800000e-01 -6.7360500000e-01  1.6246000000e+00  9.8454000000e-02 -1.3673540000e+00  8.7626200000e-01  1.3897440000e+00 -1.1134740000e+00
-ENERGY -1.526521709829e+02
-FORCES -2.2659000000e-03 -3.1693000000e-03  2.3195000000e-03  2.0160000000e-03  3.2319000000e-03  1.4108000000e-03  1.4663000000e-03  3.2150000000e-04 -3.8728000000e-03 -3.6418000000e-03 -7.2330000000e-04 -3.4895000000e-03 -5.1350000000e-04  2.3941000000e-03  2.4564000000e-03  2.9389000000e-03 -2.0549000000e-03  1.1757000000e-03
-
-JOB 66
-COORDS -1.3940170000e+00 -5.7335500000e-01 -1.0259790000e+00 -1.2020920000e+00 -7.7462200000e-01 -1.1007100000e-01 -5.9647600000e-01 -8.1485400000e-01 -1.4969760000e+00  1.3690340000e+00  5.9990400000e-01  9.3707600000e-01  7.1492100000e-01 -3.1600000000e-02  1.2363580000e+00  1.4256730000e+00  1.2408500000e+00  1.6457450000e+00
-ENERGY -1.526527096406e+02
-FORCES  5.2887000000e-03 -5.9910000000e-04  9.4960000000e-04 -5.9700000000e-05  6.7280000000e-04 -1.9768000000e-03 -4.2141000000e-03  4.1900000000e-05  1.8715000000e-03 -2.3092000000e-03  1.5924000000e-03  4.6746000000e-03  1.4198000000e-03  1.2462000000e-03 -2.5393000000e-03 -1.2550000000e-04 -2.9541000000e-03 -2.9796000000e-03
-
-JOB 67
-COORDS  3.5101100000e-01  1.6268350000e+00 -6.4096900000e-01  1.0185670000e+00  1.1646480000e+00 -1.1479060000e+00  7.6934500000e-01  1.8039660000e+00  2.0155900000e-01 -4.1116000000e-01 -1.6238350000e+00  6.8423600000e-01 -9.7913100000e-01 -1.0145860000e+00  2.1258300000e-01  1.4537300000e-01 -2.0069540000e+00  6.2070000000e-03
-ENERGY -1.526562588965e+02
-FORCES  5.5368000000e-03 -5.0640000000e-04  2.5372000000e-03 -3.2293000000e-03  1.2923000000e-03  1.7173000000e-03 -1.6779000000e-03 -3.8500000000e-05 -4.0855000000e-03 -7.9140000000e-04  2.4583000000e-03 -5.3302000000e-03  1.7192000000e-03 -4.6737000000e-03  2.4947000000e-03 -1.5574000000e-03  1.4681000000e-03  2.6666000000e-03
-
-JOB 68
-COORDS  1.2854700000e+00  2.8542900000e-01 -1.1407210000e+00  2.0150330000e+00  4.2460900000e-01 -1.7445400000e+00  7.3937900000e-01  1.0652310000e+00 -1.2403530000e+00 -1.2859630000e+00 -2.9853100000e-01  1.1330970000e+00 -6.6627900000e-01 -5.7348900000e-01  1.8088360000e+00 -2.0859110000e+00 -7.8667300000e-01  1.3281140000e+00
-ENERGY -1.526545522817e+02
-FORCES -9.1550000000e-04  4.0863000000e-03 -2.5729000000e-03 -3.0474000000e-03 -8.3560000000e-04  2.6226000000e-03  3.6901000000e-03 -2.5727000000e-03 -5.9630000000e-04  5.4150000000e-04 -4.0335000000e-03  3.2132000000e-03 -3.4593000000e-03  1.2911000000e-03 -1.8238000000e-03  3.1906000000e-03  2.0644000000e-03 -8.4270000000e-04
-
-JOB 69
-COORDS  2.3226400000e-01 -1.2667200000e+00 -1.3043810000e+00  3.8488700000e-01 -1.9737650000e+00 -1.9312990000e+00 -2.7025800000e-01 -6.1585200000e-01 -1.7943540000e+00 -2.3066500000e-01  1.1986550000e+00  1.3790480000e+00  2.7339200000e-01  1.7835050000e+00  1.9448310000e+00 -4.3164300000e-01  1.7266190000e+00  6.0633000000e-01
-ENERGY -1.526521505151e+02
-FORCES -1.7988000000e-03 -3.2430000000e-04 -4.1693000000e-03 -4.8590000000e-04  2.9496000000e-03  2.8825000000e-03  2.1591000000e-03 -2.0756000000e-03  1.8741000000e-03  2.0417000000e-03  3.9656000000e-03 -1.1229000000e-03 -2.1976000000e-03 -2.4576000000e-03 -2.1829000000e-03  2.8150000000e-04 -2.0578000000e-03  2.7186000000e-03
-
-JOB 70
-COORDS  1.7600830000e+00 -6.4194500000e-01  5.1280000000e-02  2.3472440000e+00 -1.2759090000e+00 -3.6050100000e-01  1.8238000000e+00 -8.2893300000e-01  9.8787400000e-01 -1.8416180000e+00  7.1091900000e-01 -1.2562000000e-01 -1.5150950000e+00  1.1700060000e+00  6.4823600000e-01 -1.4083210000e+00 -1.4218600000e-01 -9.9191000000e-02
-ENERGY -1.526554792861e+02
-FORCES  4.6100000000e-03 -3.3417000000e-03  1.4121000000e-03 -2.5403000000e-03  2.6483000000e-03  2.0180000000e-03 -1.2832000000e-03  9.3850000000e-04 -4.0084000000e-03  5.2989000000e-03 -1.7754000000e-03  2.3875000000e-03 -2.0163000000e-03 -1.5965000000e-03 -2.3751000000e-03 -4.0691000000e-03  3.1269000000e-03  5.6590000000e-04
-
-JOB 71
-COORDS  3.9734100000e-01  1.7959910000e+00  9.6760300000e-01  8.1874800000e-01  9.8767000000e-01  6.7560200000e-01  7.4469000000e-02  2.2023870000e+00  1.6334700000e-01 -4.6018100000e-01 -1.8025780000e+00 -9.1419000000e-01  2.0680200000e-01 -1.5161290000e+00 -1.5381390000e+00 -1.0326600000e-01 -1.5690330000e+00 -5.7276000000e-02
-ENERGY -1.526530815705e+02
-FORCES -2.2160000000e-04 -8.2770000000e-04 -4.8775000000e-03 -1.7352000000e-03  2.0547000000e-03  1.3547000000e-03  1.8471000000e-03 -1.5843000000e-03  3.5312000000e-03  3.5219000000e-03  7.2380000000e-04  1.0353000000e-03 -2.8085000000e-03 -4.0980000000e-04  3.1747000000e-03 -6.0370000000e-04  4.3300000000e-05 -4.2183000000e-03
-
-JOB 72
-COORDS -3.3030300000e-01 -1.9367590000e+00  7.9325000000e-01  4.4529600000e-01 -1.4247120000e+00  5.6415200000e-01 -8.3869300000e-01 -1.9777270000e+00 -1.6745000000e-02  3.0321100000e-01  1.8967810000e+00 -6.6331300000e-01  8.4169200000e-01  2.5588940000e+00 -1.0967600000e+00 -9.3226000000e-02  1.4025460000e+00 -1.3808100000e+00
-ENERGY -1.526543955157e+02
-FORCES  1.3621000000e-03  3.0184000000e-03 -3.5965000000e-03 -3.2588000000e-03 -3.5311000000e-03  5.2310000000e-04  1.9782000000e-03  1.4640000000e-04  2.8420000000e-03  1.9330000000e-04  2.2089000000e-03 -4.8337000000e-03 -2.3208000000e-03 -2.9518000000e-03  1.8205000000e-03  2.0460000000e-03  1.1092000000e-03  3.2445000000e-03
-
-JOB 73
-COORDS  4.8492100000e-01  1.2242450000e+00 -1.5929920000e+00  9.3303700000e-01  1.7488780000e+00 -9.2952900000e-01  6.5522600000e-01  1.6819880000e+00 -2.4162170000e+00 -4.8858200000e-01 -1.2571060000e+00  1.6616470000e+00 -2.6721800000e-01 -2.0162770000e+00  1.1223060000e+00 -1.2635120000e+00 -8.8277800000e-01  1.2426070000e+00
-ENERGY -1.526553312317e+02
-FORCES  3.0381000000e-03  4.1438000000e-03 -2.2650000000e-04 -1.9609000000e-03 -1.7385000000e-03 -3.3154000000e-03 -7.1820000000e-04 -1.9320000000e-03  3.3747000000e-03 -2.0779000000e-03 -1.1968000000e-03 -5.1564000000e-03 -9.7380000000e-04  2.4980000000e-03  2.7271000000e-03  2.6927000000e-03 -1.7746000000e-03  2.5964000000e-03
-
-JOB 74
-COORDS -1.0691800000e-01 -2.1108690000e+00  5.1589600000e-01  8.1003000000e-02 -1.2591370000e+00  9.1019400000e-01 -8.9926300000e-01 -2.4117060000e+00  9.6077600000e-01  1.3749600000e-01  2.0608930000e+00 -6.3023500000e-01  2.1809700000e-01  2.9262980000e+00 -2.2922500000e-01  1.1336000000e-01  1.4546390000e+00  1.1010700000e-01
-ENERGY -1.526523120121e+02
-FORCES -2.7248000000e-03  1.5400000000e-03  3.2454000000e-03 -8.4730000000e-04 -2.1498000000e-03 -1.7600000000e-03  3.5209000000e-03  1.3487000000e-03 -1.8180000000e-03  3.3230000000e-04  1.4445000000e-03  4.2798000000e-03 -4.0880000000e-04 -3.7919000000e-03 -1.7391000000e-03  1.2760000000e-04  1.6085000000e-03 -2.2082000000e-03
-
-JOB 75
-COORDS -4.1439800000e-01  2.0004480000e+00  1.4657250000e+00 -6.3041000000e-02  1.2447810000e+00  9.9482400000e-01  5.6711000000e-02  2.0042510000e+00  2.2989560000e+00  3.6319500000e-01 -1.8921120000e+00 -1.4679430000e+00  5.4198200000e-01 -2.6835460000e+00 -9.6010500000e-01  2.3151300000e-01 -2.2057250000e+00 -2.3626710000e+00
-ENERGY -1.526551883799e+02
-FORCES  3.3445000000e-03 -3.4788000000e-03  7.2760000000e-04 -1.4050000000e-03  3.7470000000e-03  2.8821000000e-03 -1.8836000000e-03  6.3000000000e-06 -3.1705000000e-03 -5.7800000000e-05 -4.7848000000e-03 -2.2998000000e-03 -6.4810000000e-04  3.4432000000e-03 -1.8912000000e-03  6.5010000000e-04  1.0670000000e-03  3.7518000000e-03
-
-JOB 76
-COORDS -2.6029300000e-01 -2.1182610000e+00 -1.1726810000e+00 -4.5865000000e-01 -2.9836150000e+00 -8.1484200000e-01  4.2898300000e-01 -2.2774430000e+00 -1.8175000000e+00  2.2450000000e-01  2.2257230000e+00  1.2423120000e+00  9.6693000000e-01  2.0902860000e+00  6.5351100000e-01 -4.3450500000e-01  1.5979610000e+00  9.4590100000e-01
-ENERGY -1.526553186425e+02
-FORCES  1.8692000000e-03 -4.8216000000e-03 -1.3176000000e-03  8.6360000000e-04  3.5892000000e-03 -1.5634000000e-03 -2.7729000000e-03  8.2570000000e-04  2.7378000000e-03  1.2960000000e-04 -3.8528000000e-03 -3.9195000000e-03 -2.6158000000e-03  9.9160000000e-04  2.4233000000e-03  2.5264000000e-03  3.2679000000e-03  1.6393000000e-03
-
-JOB 77
-COORDS -3.7708500000e-01 -1.2235340000e+00 -2.0974740000e+00 -3.8942800000e-01 -2.1480470000e+00 -1.8497750000e+00  1.5400500000e-01 -1.1953800000e+00 -2.8933270000e+00  3.9846700000e-01  1.3136780000e+00  2.1441550000e+00 -1.2763400000e-01  7.7100100000e-01  2.7314810000e+00 -2.9736000000e-02  1.2300230000e+00  1.2921720000e+00
-ENERGY -1.526551893254e+02
-FORCES  2.4079000000e-03 -3.8726000000e-03 -2.6993000000e-03 -6.6600000000e-05  3.8527000000e-03 -9.1700000000e-04 -2.2798000000e-03 -2.1260000000e-04  3.2501000000e-03 -3.9548000000e-03 -2.7483000000e-03 -1.8072000000e-03  2.1365000000e-03  2.1347000000e-03 -2.0829000000e-03  1.7568000000e-03  8.4610000000e-04  4.2563000000e-03
-
-JOB 78
-COORDS -4.4557000000e-01 -3.0410000000e-03 -2.5887920000e+00  5.9724000000e-02  7.2029500000e-01 -2.2177180000e+00 -4.0995900000e-01 -6.8801200000e-01 -1.9211260000e+00  4.3205500000e-01 -5.4958000000e-02  2.5100460000e+00 -1.7793800000e-01  1.7462800000e-01  3.2110670000e+00  7.5313700000e-01  7.8660000000e-01  2.1861350000e+00
-ENERGY -1.526546220679e+02
-FORCES  2.2142000000e-03 -2.6750000000e-04  4.5626000000e-03 -2.0024000000e-03 -2.5720000000e-03 -1.5399000000e-03 -1.9920000000e-04  2.9400000000e-03 -3.2306000000e-03 -1.2209000000e-03  4.3936000000e-03  2.4365000000e-03  2.6036000000e-03 -9.0050000000e-04 -2.9678000000e-03 -1.3953000000e-03 -3.5935000000e-03  7.3920000000e-04
-
-JOB 79
-COORDS  9.2829300000e-01 -2.3526460000e+00  8.4141300000e-01  4.2618600000e-01 -2.9742280000e+00  1.3684390000e+00  3.0541400000e-01 -1.6562080000e+00  6.3350100000e-01 -8.6919700000e-01  2.4074290000e+00 -8.8417400000e-01 -4.9497500000e-01  2.1721670000e+00 -3.5150000000e-02 -1.0673530000e+00  1.5683080000e+00 -1.2999160000e+00
-ENERGY -1.526533557693e+02
-FORCES -4.5112000000e-03 -2.9990000000e-04  1.5330000000e-03  2.0904000000e-03  2.7214000000e-03 -2.2632000000e-03  2.4755000000e-03 -2.2116000000e-03  6.2490000000e-04  9.8770000000e-04 -3.8377000000e-03  1.4440000000e-03 -1.8299000000e-03  4.6200000000e-04 -3.5341000000e-03  7.8750000000e-04  3.1658000000e-03  2.1954000000e-03
-
-JOB 80
-COORDS  1.1345370000e+00 -2.1883460000e+00  9.3713200000e-01  2.0575440000e+00 -2.4221500000e+00  8.3902600000e-01  6.7378400000e-01 -2.7717860000e+00  3.3419200000e-01 -1.1823550000e+00  2.1960300000e+00 -9.5048700000e-01 -1.0368130000e+00  1.8808280000e+00 -5.8468000000e-02 -9.0639900000e-01  3.1123430000e+00 -9.2924800000e-01
-ENERGY -1.526547197944e+02
-FORCES  1.8958000000e-03 -3.4452000000e-03 -3.2040000000e-03 -3.7324000000e-03  9.3250000000e-04  4.9800000000e-04  1.9447000000e-03  2.2743000000e-03  2.6519000000e-03  1.9865000000e-03  2.0312000000e-03  4.0126000000e-03 -9.6250000000e-04  1.8064000000e-03 -3.7970000000e-03 -1.1321000000e-03 -3.5992000000e-03 -1.6160000000e-04
-
-JOB 81
-COORDS -7.4009000000e-01  2.0218150000e+00 -1.8379810000e+00 -9.7491600000e-01  2.3112640000e+00 -9.5633000000e-01 -1.1293790000e+00  1.1508640000e+00 -1.9162830000e+00  7.7514900000e-01 -2.0534360000e+00  1.7778590000e+00  8.3165000000e-02 -1.5279570000e+00  2.1794330000e+00  1.4836780000e+00 -1.4313770000e+00  1.6127500000e+00
-ENERGY -1.526540873164e+02
-FORCES -2.7805000000e-03 -2.4315000000e-03  2.8803000000e-03  1.1519000000e-03 -1.2861000000e-03 -3.3828000000e-03  1.6266000000e-03  3.7722000000e-03  4.8570000000e-04  5.1980000000e-04  4.5140000000e-03  1.1842000000e-03  2.6259000000e-03 -2.0130000000e-03 -1.9030000000e-03 -3.1438000000e-03 -2.5557000000e-03  7.3560000000e-04
-
-JOB 82
-COORDS -6.2841600000e-01 -2.4973320000e+00  1.3709790000e+00 -2.7441500000e-01 -2.4127630000e+00  4.8567500000e-01 -3.0986900000e-01 -3.3466220000e+00  1.6767020000e+00  5.9301900000e-01  2.4733330000e+00 -1.3405680000e+00  2.6732300000e-01  3.0327720000e+00 -2.0456800000e+00  8.3517000000e-01  3.0826510000e+00 -6.4319700000e-01
-ENERGY -1.526543358669e+02
-FORCES  2.8392000000e-03 -2.7081000000e-03 -2.6756000000e-03 -1.5162000000e-03 -8.4110000000e-04  3.7821000000e-03 -1.3080000000e-03  3.3995000000e-03 -1.1647000000e-03 -5.1010000000e-04  4.8519000000e-03  2.5390000000e-04  1.3777000000e-03 -2.3102000000e-03  2.8101000000e-03 -8.8260000000e-04 -2.3920000000e-03 -3.0058000000e-03
-
-JOB 83
-COORDS -6.4532800000e-01  2.0704110000e+00 -2.3289490000e+00 -4.0469400000e-01  2.2705630000e+00 -1.4243680000e+00 -2.9948000000e-02  1.3873990000e+00 -2.5954710000e+00  6.4428900000e-01 -1.9924440000e+00  2.3121100000e+00  7.5027700000e-01 -2.9412830000e+00  2.2435420000e+00 -2.6507600000e-01 -1.8336290000e+00  2.0590000000e+00
-ENERGY -1.526544519598e+02
-FORCES  3.7741000000e-03 -1.8365000000e-03  2.6339000000e-03 -1.1967000000e-03 -8.3420000000e-04 -3.7210000000e-03 -2.6586000000e-03  2.7207000000e-03  9.9580000000e-04 -3.3572000000e-03 -3.5002000000e-03 -1.0069000000e-03 -4.2200000000e-04  3.9277000000e-03  2.1550000000e-04  3.8605000000e-03 -4.7750000000e-04  8.8270000000e-04
-
-JOB 84
-COORDS  1.7301500000e-01  2.0428370000e+00  2.5236530000e+00 -7.8411200000e-01  2.0335990000e+00  2.5162440000e+00  4.2127700000e-01  1.1219940000e+00  2.6051740000e+00 -1.3730300000e-01 -1.9677520000e+00 -2.4658030000e+00 -8.5630200000e-01 -2.0352390000e+00 -3.0940690000e+00  6.3612900000e-01 -2.2479820000e+00 -2.9551960000e+00
-ENERGY -1.526543301976e+02
-FORCES -2.8960000000e-03 -4.0726000000e-03 -1.4040000000e-04  3.8106000000e-03  1.9840000000e-04  2.1740000000e-04 -9.4180000000e-04  3.8636000000e-03  8.5000000000e-06  3.2710000000e-04 -1.2909000000e-03 -4.7163000000e-03  2.8914000000e-03  2.3500000000e-04  2.6119000000e-03 -3.1912000000e-03  1.0664000000e-03  2.0189000000e-03
-
-JOB 85
-COORDS -4.3857900000e-01 -3.1504300000e+00  9.3664800000e-01 -1.3292000000e+00 -3.4888980000e+00  8.4463700000e-01  4.6536000000e-02 -3.5523230000e+00  2.1597000000e-01  5.1023100000e-01  3.2207050000e+00 -9.2005500000e-01  5.5840700000e-01  2.4888250000e+00 -3.0502300000e-01 -4.0723100000e-01  3.4927480000e+00 -8.9796400000e-01
-ENERGY -1.526544842373e+02
-FORCES -1.5878000000e-03 -3.3251000000e-03 -3.2977000000e-03  3.6189000000e-03  1.4903000000e-03  3.6760000000e-04 -2.0294000000e-03  1.7200000000e-03  2.9636000000e-03 -3.5164000000e-03 -2.0569000000e-03  2.7714000000e-03 -1.6900000000e-04  3.1913000000e-03 -2.6322000000e-03  3.6837000000e-03 -1.0196000000e-03 -1.7280000000e-04
-
-JOB 86
-COORDS -2.5440700000e-01  3.3498890000e+00  4.0661000000e-01  3.0582000000e-01  3.4039610000e+00  1.1808540000e+00 -9.5096000000e-01  2.7426940000e+00  6.5633000000e-01  2.8201300000e-01 -3.3810760000e+00 -4.5723700000e-01 -6.1678700000e-01 -3.0531280000e+00 -4.2824600000e-01  8.1482000000e-01 -2.6056910000e+00 -6.3366300000e-01
-ENERGY -1.526540870305e+02
-FORCES -6.1600000000e-04 -1.8409000000e-03  4.3694000000e-03 -2.3035000000e-03 -3.5670000000e-04 -3.2567000000e-03  2.9396000000e-03  2.2260000000e-03 -1.1742000000e-03 -1.4102000000e-03  4.4523000000e-03 -8.7610000000e-04  3.6342000000e-03 -1.2786000000e-03  3.9700000000e-05 -2.2442000000e-03 -3.2020000000e-03  8.9790000000e-04
-
-JOB 87
-COORDS -2.5147000000e-01  3.2284740000e+00 -1.2030280000e+00 -3.3449500000e-01  3.4608310000e+00 -2.1278790000e+00 -6.1236000000e-02  2.2903780000e+00 -1.2074090000e+00  2.4945700000e-01 -3.1864020000e+00  1.1947480000e+00  3.7898800000e-01 -3.9493310000e+00  1.7581250000e+00  4.7959000000e-02 -2.4726550000e+00  1.7998890000e+00
-ENERGY -1.526544019177e+02
-FORCES  4.6910000000e-04 -2.9824000000e-03 -3.9125000000e-03  3.2740000000e-04 -8.7620000000e-04  3.7622000000e-03 -8.1020000000e-04  3.9454000000e-03  1.5060000000e-04 -3.0180000000e-04 -3.5710000000e-04  4.9246000000e-03 -5.3080000000e-04  3.1176000000e-03 -2.3015000000e-03  8.4630000000e-04 -2.8474000000e-03 -2.6234000000e-03
-
-JOB 88
-COORDS -8.6000000000e-03  3.7193850000e+00  2.0312560000e+00 -7.8515800000e-01  3.1598120000e+00  2.0230780000e+00  7.1676700000e-01  3.1261150000e+00  1.8360510000e+00  3.4069000000e-02 -3.5861840000e+00 -2.0310590000e+00  5.3820300000e-01 -4.3189910000e+00 -1.6773990000e+00 -8.4040900000e-01 -3.9459890000e+00 -2.1795890000e+00
-ENERGY -1.526542657083e+02
-FORCES -1.8410000000e-04 -4.7990000000e-03 -9.9140000000e-04  3.1060000000e-03  2.3355000000e-03  1.2670000000e-04 -2.9261000000e-03  2.4859000000e-03  9.0130000000e-04 -1.4934000000e-03 -4.5724000000e-03  6.7960000000e-04 -2.0673000000e-03  3.0396000000e-03 -1.3867000000e-03  3.5648000000e-03  1.5103000000e-03  6.7050000000e-04
-
-JOB 89
-COORDS  4.3000100000e-01 -3.1700340000e+00  4.1505110000e+00  1.1524480000e+00 -3.0508310000e+00  4.7670270000e+00 -3.0335500000e-01 -3.4595980000e+00  4.6932570000e+00 -4.3902500000e-01  3.1170460000e+00 -4.2386180000e+00  3.8837900000e-01  3.5320620000e+00 -3.9949030000e+00 -1.1014350000e+00  3.7885750000e+00 -4.0758490000e+00
-ENERGY -1.526539957991e+02
-FORCES -6.1000000000e-05 -7.1420000000e-04  4.6911000000e-03 -2.9432000000e-03 -4.7300000000e-04 -2.5076000000e-03  2.9997000000e-03  1.1893000000e-03 -2.1969000000e-03  6.8450000000e-04  4.3668000000e-03  1.7414000000e-03 -3.3753000000e-03 -1.6541000000e-03 -1.0337000000e-03  2.6953000000e-03 -2.7148000000e-03 -6.9420000000e-04
-
-JOB 0
-COORDS -6.6112000000e-01 -5.6940600000e-01  1.0200830000e+00 -4.3355600000e-01 -1.4711670000e+00  7.9364600000e-01 -2.2559800000e-01 -3.7507000000e-02  3.5402300000e-01  5.6025700000e-01  5.9558200000e-01 -9.5862000000e-01  9.9664100000e-01 -1.3033700000e-01 -1.4045390000e+00  1.2638590000e+00  1.2138940000e+00 -7.6147300000e-01
-ENERGY -1.526566047844e+02
-FORCES  1.0379800000e-02  8.8689000000e-03 -1.7368500000e-02  3.7030000000e-04  2.5939000000e-03 -7.8150000000e-04 -2.9433000000e-03 -4.2936000000e-03  6.9848000000e-03 -1.8861000000e-03 -6.1958000000e-03  8.1235000000e-03 -2.2245000000e-03  3.5301000000e-03  3.9506000000e-03 -3.6962000000e-03 -4.5035000000e-03 -9.0890000000e-04
-
-JOB 1
-COORDS  3.9570000000e-01  7.9377400000e-01  1.0134920000e+00  4.3181000000e-02  1.7091000000e-01  3.7787900000e-01  1.3440930000e+00  6.7262200000e-01  9.6763300000e-01 -4.3579400000e-01 -7.1214800000e-01 -9.0377700000e-01 -6.1445500000e-01 -1.6404690000e+00 -1.0538790000e+00 -1.9477700000e-01 -3.7177300000e-01 -1.7653390000e+00
-ENERGY -1.526575744964e+02
-FORCES -4.9540000000e-03 -1.3568100000e-02 -1.4484100000e-02  2.0047000000e-03  4.9992000000e-03  3.7742000000e-03 -2.4360000000e-03 -7.9800000000e-05 -1.0521000000e-03  4.7897000000e-03  7.2489000000e-03  9.0119000000e-03  1.5614000000e-03  5.1193000000e-03 -1.3229000000e-03 -9.6580000000e-04 -3.7194000000e-03  4.0730000000e-03
-
-JOB 2
-COORDS -2.1783600000e-01 -1.1982770000e+00 -3.8199000000e-01 -7.9016600000e-01 -1.2533570000e+00 -1.1472590000e+00  6.3082100000e-01 -1.5124900000e+00 -6.9389100000e-01  2.6005300000e-01  1.2455600000e+00  4.6345000000e-01  9.4854000000e-02  3.4029100000e-01  1.9995800000e-01 -5.7201900000e-01  1.6945860000e+00  3.1424100000e-01
-ENERGY -1.526582606067e+02
-FORCES  2.1515000000e-03  8.7215000000e-03 -1.1027000000e-03  3.5158000000e-03  4.1950000000e-04  3.8996000000e-03 -5.1872000000e-03  3.1589000000e-03  1.5383000000e-03 -6.6046000000e-03 -1.8386500000e-02 -6.0020000000e-03  4.4608000000e-03  8.2066000000e-03  2.2223000000e-03  1.6636000000e-03 -2.1200000000e-03 -5.5560000000e-04
-
-JOB 3
-COORDS  1.1342500000e-01 -1.0778760000e+00  6.1538000000e-01  4.9478400000e-01 -1.8158500000e+00  1.3978400000e-01  3.3991800000e-01 -1.2397640000e+00  1.5311990000e+00 -1.4888200000e-01  1.1427550000e+00 -7.0779000000e-01 -2.9907900000e-01  3.2414700000e-01 -2.3497600000e-01 -4.6592000000e-02  1.8013990000e+00 -2.0799000000e-02
-ENERGY -1.526568438228e+02
-FORCES  1.5635000000e-03  1.0110300000e-02 -5.8190000000e-03 -1.7822000000e-03  2.9959000000e-03  3.9164000000e-03 -5.3000000000e-05 -2.8120000000e-04 -4.7685000000e-03  2.6977000000e-03 -1.4865900000e-02  1.2324900000e-02 -2.2190000000e-03  4.1531000000e-03 -4.6214000000e-03 -2.0690000000e-04 -2.1122000000e-03 -1.0324000000e-03
-
-JOB 4
-COORDS -7.7012000000e-01  4.2838200000e-01 -1.0052390000e+00 -7.9735000000e-02  4.8696800000e-01 -3.4480900000e-01 -4.3444100000e-01  9.2959300000e-01 -1.7484330000e+00  7.1953600000e-01 -3.9368000000e-01  9.8996100000e-01  1.1801660000e+00 -1.1604820000e+00  6.4927700000e-01  1.2272000000e-01 -7.4596600000e-01  1.6502160000e+00
-ENERGY -1.526588299759e+02
-FORCES  8.9389000000e-03 -3.3507000000e-03  1.1989500000e-02 -4.3401000000e-03  4.1631000000e-03 -8.1813000000e-03  1.5328000000e-03 -2.4484000000e-03  3.9088000000e-03 -8.0261000000e-03 -2.7200000000e-03 -7.0822000000e-03 -1.9056000000e-03  3.5857000000e-03  2.2431000000e-03  3.8001000000e-03  7.7030000000e-04 -2.8779000000e-03
-
-JOB 5
-COORDS  2.6336500000e-01  4.4707700000e-01 -1.1662890000e+00 -6.0103500000e-01  6.9524900000e-01 -1.4940910000e+00  8.5774600000e-01  1.0973600000e+00 -1.5405550000e+00 -2.8069500000e-01 -5.6567700000e-01  1.2123380000e+00  1.7501000000e-02 -1.1507900000e-01  4.2222800000e-01 -7.0614000000e-02  3.6735000000e-02  1.9259180000e+00
-ENERGY -1.526594351054e+02
-FORCES -2.1005000000e-03 -8.9300000000e-04  5.6239000000e-03  5.5278000000e-03 -3.3430000000e-04  2.1179000000e-03 -4.2631000000e-03 -2.5890000000e-03  1.3246000000e-03  5.5220000000e-03  7.4584000000e-03 -1.3517200000e-02 -4.7084000000e-03 -3.0015000000e-03  7.7673000000e-03  2.2200000000e-05 -6.4060000000e-04 -3.3165000000e-03
-
-JOB 6
-COORDS -1.0752160000e+00  8.5886000000e-02  7.1578200000e-01 -1.0832390000e+00 -5.5219600000e-01  1.4292370000e+00 -1.7842720000e+00 -1.9301300000e-01  1.3639800000e-01  1.1195910000e+00  1.6138000000e-02 -7.7623000000e-01  5.5068400000e-01  1.6980000000e-03 -6.5770000000e-03  1.6691360000e+00 -7.6203700000e-01 -6.8308700000e-01
-ENERGY -1.526578284236e+02
-FORCES  1.2833000000e-03 -2.6750000000e-03 -7.6812000000e-03  2.5370000000e-03  2.4480000000e-03 -5.2891000000e-03  2.4732000000e-03  7.0290000000e-04  4.8293000000e-03 -1.2391000000e-02  6.6600000000e-05  9.5665000000e-03  9.7082000000e-03 -2.3787000000e-03 -2.8572000000e-03 -3.6106000000e-03  1.8362000000e-03  1.4317000000e-03
-
-JOB 7
-COORDS  7.3732600000e-01 -9.4105200000e-01  6.5023600000e-01  5.9628400000e-01 -1.9311800000e-01  6.9777000000e-02  1.1131640000e+00 -1.6159660000e+00  8.5021000000e-02 -7.0472200000e-01  9.2887000000e-01 -5.3593900000e-01 -5.7959100000e-01  1.0290660000e+00 -1.4796200000e+00 -1.6540920000e+00  9.5194200000e-01 -4.1595000000e-01
-ENERGY -1.526558443249e+02
-FORCES -8.1972000000e-03  9.7039000000e-03 -7.2779000000e-03  7.5488000000e-03 -4.4824000000e-03 -5.3800000000e-05 -2.2065000000e-03  3.4741000000e-03  1.9230000000e-04 -1.9117000000e-03 -7.6250000000e-03  4.6884000000e-03  8.9130000000e-04 -2.6473000000e-03  5.2580000000e-03  3.8753000000e-03  1.5766000000e-03 -2.8069000000e-03
-
-JOB 8
-COORDS  2.2557800000e-01  1.1658780000e+00  4.9960700000e-01 -8.0982000000e-02  2.0725170000e+00  5.1562800000e-01  1.3604500000e-01  8.6624700000e-01  1.4042820000e+00 -1.7049200000e-01 -1.2534050000e+00 -5.2169000000e-01  4.9113000000e-02 -3.2646400000e-01 -4.2796100000e-01 -9.3582300000e-01 -1.2617840000e+00 -1.0965210000e+00
-ENERGY -1.526596239045e+02
-FORCES -3.1452000000e-03 -6.1201000000e-03 -5.9300000000e-05  7.7260000000e-04 -4.4997000000e-03  1.5264000000e-03  3.8660000000e-04  3.2680000000e-03 -4.6898000000e-03  1.5670000000e-04  1.4689200000e-02  2.5643000000e-03 -2.4130000000e-04 -8.3800000000e-03 -1.0674000000e-03  2.0706000000e-03  1.0425000000e-03  1.7258000000e-03
-
-JOB 9
-COORDS  8.3198000000e-02 -1.0115140000e+00 -8.1451500000e-01  4.0339400000e-01 -1.4683890000e+00 -1.5923140000e+00 -8.6204300000e-01 -9.4268400000e-01 -9.4873100000e-01 -5.0800000000e-04  1.0424870000e+00  9.0957700000e-01 -7.6644700000e-01  1.5805570000e+00  7.0945400000e-01 -5.0767000000e-02  3.1388900000e-01  2.9082600000e-01
-ENERGY -1.526552447550e+02
-FORCES  1.8592000000e-03  3.9968000000e-03  4.5420000000e-04 -3.7256000000e-03  1.1815000000e-03  3.3582000000e-03  6.2909000000e-03  3.8780000000e-03  3.0621000000e-03  2.2728000000e-03 -8.4735000000e-03 -9.1200000000e-03  1.7603000000e-03 -3.7104000000e-03 -9.2160000000e-04 -8.4574000000e-03  3.1276000000e-03  3.1671000000e-03
-
-JOB 10
-COORDS  1.8403300000e-01  6.8435000000e-01 -1.0784540000e+00  4.8165100000e-01  6.7848800000e-01 -1.9881900000e+00  5.2251000000e-01  1.5050430000e+00 -7.2050200000e-01 -1.9167600000e-01 -7.8485400000e-01  1.1433480000e+00 -9.4078900000e-01 -2.4134100000e-01  1.3875930000e+00  8.8119000000e-02 -4.4069000000e-01  2.9511700000e-01
-ENERGY -1.526594628201e+02
-FORCES  1.1354000000e-03 -1.6498000000e-03  3.2101000000e-03 -1.1077000000e-03  1.5597000000e-03  4.8335000000e-03 -2.0214000000e-03 -4.7106000000e-03 -2.1557000000e-03 -8.7850000000e-04  8.0008000000e-03 -1.3536700000e-02  2.4154000000e-03 -6.9750000000e-04  1.4210000000e-04  4.5670000000e-04 -2.5027000000e-03  7.5067000000e-03
-
-JOB 11
-COORDS  1.2745660000e+00 -3.9289000000e-02 -5.7133400000e-01  4.0980500000e-01 -1.2213000000e-01 -1.6939300000e-01  1.1357100000e+00  5.3712900000e-01 -1.3227940000e+00 -1.1925510000e+00 -3.2953000000e-02  5.4452700000e-01 -1.3780520000e+00 -2.1084000000e-01  1.4665780000e+00 -1.3760360000e+00  9.0050100000e-01  4.3856500000e-01
-ENERGY -1.526592977674e+02
-FORCES -1.4855100000e-02 -8.9470000000e-04  4.8939000000e-03  8.5730000000e-03  2.8254000000e-03 -4.8040000000e-03 -1.0073000000e-03 -7.9310000000e-04  3.0431000000e-03  4.4361000000e-03  2.0872000000e-03  1.7614000000e-03  3.2370000000e-04  2.0485000000e-03 -4.8114000000e-03  2.5295000000e-03 -5.2733000000e-03 -8.3000000000e-05
-
-JOB 12
-COORDS  7.6975000000e-01 -2.3440100000e-01  1.1225950000e+00  1.3835040000e+00  4.9275000000e-01  1.2264640000e+00  4.9961500000e-01 -1.9127700000e-01  2.0531700000e-01 -7.3059800000e-01  1.8153000000e-01 -1.1142050000e+00 -1.4129390000e+00 -4.5171000000e-01 -8.9138100000e-01 -1.0479470000e+00  1.0114920000e+00 -7.5827800000e-01
-ENERGY -1.526597251344e+02
-FORCES -4.6649000000e-03  2.7630000000e-03 -1.3374100000e-02 -3.1425000000e-03 -1.2840000000e-03 -1.4017000000e-03  4.1956000000e-03 -1.3044000000e-03  9.5160000000e-03 -3.3884000000e-03  6.6850000000e-04  7.5585000000e-03  4.3518000000e-03  3.4320000000e-03 -6.9910000000e-04  2.6483000000e-03 -4.2750000000e-03 -1.5996000000e-03
-
-JOB 13
-COORDS  3.8517700000e-01 -1.2649540000e+00  3.9546800000e-01  1.9421700000e-01 -3.2742300000e-01  4.2377100000e-01  1.2273640000e+00 -1.3519170000e+00  8.4200000000e-01 -3.9716100000e-01  1.1558490000e+00 -3.9451100000e-01 -7.3202100000e-01  1.9339350000e+00  5.1226000000e-02 -4.8515700000e-01  1.3565290000e+00 -1.3262920000e+00
-ENERGY -1.526590954492e+02
-FORCES -2.6180000000e-03  1.2318800000e-02 -3.4213000000e-03  2.9231000000e-03 -6.6785000000e-03  5.1154000000e-03 -2.7608000000e-03  2.1748000000e-03 -1.4831000000e-03  9.9870000000e-04 -5.7029000000e-03 -2.6338000000e-03  2.0098000000e-03 -3.9346000000e-03 -2.4129000000e-03 -5.5270000000e-04  1.8224000000e-03  4.8357000000e-03
-
-JOB 14
-COORDS  7.8900000000e-02  2.2238400000e-01 -1.3684520000e+00 -1.4187600000e-01  2.3661200000e-01 -4.3717000000e-01  2.3014300000e-01  1.1404280000e+00 -1.5932900000e+00 -1.0786900000e-01 -2.2705900000e-01  1.2769470000e+00  8.1849500000e-01 -2.5619600000e-01  1.5161770000e+00 -5.2092500000e-01 -8.8511500000e-01  1.8360350000e+00
-ENERGY -1.526601270638e+02
-FORCES -3.0100000000e-03 -1.1621000000e-03  1.2749500000e-02  3.0698000000e-03  3.6906000000e-03 -8.5369000000e-03 -3.4300000000e-05 -2.7815000000e-03  2.7316000000e-03  1.5044000000e-03 -2.9392000000e-03 -4.9784000000e-03 -5.1573000000e-03  2.8960000000e-04 -6.0530000000e-04  3.6275000000e-03  2.9026000000e-03 -1.3605000000e-03
-
-JOB 15
-COORDS  5.1878700000e-01 -5.8264900000e-01  1.0397080000e+00  4.2021500000e-01 -1.5345470000e+00  1.0598770000e+00  1.4184850000e+00 -4.2838900000e-01  1.3277690000e+00 -5.5651000000e-01  6.9435900000e-01 -1.0663250000e+00 -1.6373900000e-01  9.8010000000e-02 -4.2888400000e-01 -1.1686920000e+00  1.4868300000e-01 -1.5599880000e+00
-ENERGY -1.526591527935e+02
-FORCES  1.2842000000e-03  2.2037000000e-03 -3.0366000000e-03  4.7720000000e-04  5.4350000000e-03 -1.5861000000e-03 -4.7736000000e-03 -2.2657000000e-03 -8.7570000000e-04  5.2304000000e-03 -7.5150000000e-03  1.1635400000e-02 -4.6745000000e-03  2.1997000000e-03 -9.0699000000e-03  2.4563000000e-03 -5.7800000000e-05  2.9329000000e-03
-
-JOB 16
-COORDS -2.4550700000e-01  6.7163900000e-01 -1.1120200000e+00 -4.4755500000e-01  1.5932040000e+00 -1.2736590000e+00  6.8632600000e-01  5.9097800000e-01 -1.3155220000e+00  2.1262400000e-01 -7.0265800000e-01  1.2010070000e+00  4.3847000000e-02 -1.5608200000e-01  4.3354300000e-01  2.1673200000e-01 -1.5977790000e+00  8.6193000000e-01
-ENERGY -1.526592457748e+02
-FORCES  1.4336000000e-03  2.0143000000e-03  2.3466000000e-03  2.1924000000e-03 -4.7609000000e-03 -3.0400000000e-05 -5.8455000000e-03 -7.3480000000e-04  4.4252000000e-03 -5.8129000000e-03  5.4741000000e-03 -1.2152400000e-02  7.2741000000e-03 -5.0631000000e-03  5.3958000000e-03  7.5830000000e-04  3.0703000000e-03  1.5200000000e-05
-
-JOB 17
-COORDS -2.5354100000e-01 -6.5849000000e-01  1.1150870000e+00 -5.5640400000e-01 -4.3456000000e-02  1.7830980000e+00 -9.8272800000e-01 -1.2681740000e+00  1.0019390000e+00  2.9578100000e-01  7.1884700000e-01 -1.1697260000e+00  6.6006600000e-01 -2.5129000000e-02 -1.6493380000e+00  2.0880500000e-01  4.0481500000e-01 -2.6969800000e-01
-ENERGY -1.526593409105e+02
-FORCES -4.1057000000e-03  1.0221000000e-03 -4.4783000000e-03  1.5488000000e-03 -2.3781000000e-03 -5.3571000000e-03  3.6707000000e-03  2.8579000000e-03  1.8213000000e-03 -1.2694000000e-03 -1.1039200000e-02  1.2235900000e-02 -1.5009000000e-03  1.7658000000e-03  6.8150000000e-04  1.6564000000e-03  7.7715000000e-03 -4.9032000000e-03
-
-JOB 18
-COORDS  7.3180300000e-01  8.7371900000e-01  8.3284700000e-01  6.7150900000e-01  1.5324950000e+00  1.4103000000e-01  2.7470300000e-01  1.1102400000e-01  4.7846400000e-01 -7.2843500000e-01 -8.2909600000e-01 -7.3005600000e-01 -2.3069800000e-01 -1.6295350000e+00 -5.6336300000e-01 -7.8543600000e-01 -7.7623300000e-01 -1.6840940000e+00
-ENERGY -1.526569321414e+02
-FORCES -1.0111100000e-02 -5.9611000000e-03 -1.2088500000e-02  1.2364000000e-03 -3.6830000000e-04  2.0061000000e-03  5.6760000000e-03 -2.4827000000e-03  6.3074000000e-03  3.9978000000e-03  2.7123000000e-03 -1.8367000000e-03 -1.0706000000e-03  7.1536000000e-03  9.6020000000e-04  2.7160000000e-04 -1.0537000000e-03  4.6515000000e-03
-
-JOB 19
-COORDS -1.2630810000e+00 -1.3364400000e-01 -6.3028400000e-01 -1.3534270000e+00 -1.0009810000e+00 -2.3557400000e-01 -3.2883200000e-01  6.3960000000e-02 -5.6421300000e-01  1.1654820000e+00  1.2889700000e-01  5.8224500000e-01  1.0520980000e+00  9.8926500000e-01  9.8615400000e-01  2.1138360000e+00  4.8120000000e-03  5.4404400000e-01
-ENERGY -1.526596364134e+02
-FORCES  1.2746700000e-02 -3.1759000000e-03  6.6319000000e-03 -1.2367000000e-03  1.8626000000e-03 -1.5793000000e-03 -6.4779000000e-03  2.8572000000e-03 -3.0564000000e-03 -1.4709000000e-03  1.9208000000e-03  4.7100000000e-04  1.3794000000e-03 -4.5256000000e-03 -3.4173000000e-03 -4.9407000000e-03  1.0607000000e-03  9.5010000000e-04
-
-JOB 20
-COORDS -4.2561900000e-01  6.2107600000e-01 -1.1959340000e+00 -7.4906300000e-01  1.4654470000e+00 -8.8184300000e-01 -1.5800500000e-01  1.5655400000e-01 -4.0294400000e-01  4.2957400000e-01 -6.2095200000e-01  1.0564210000e+00 -3.0556900000e-01 -7.3078600000e-01  1.6595240000e+00  1.1952230000e+00 -9.0152800000e-01  1.5577100000e+00
-ENERGY -1.526593980850e+02
-FORCES  5.7074000000e-03 -4.1261000000e-03  1.1766000000e-02  6.1210000000e-04 -2.8464000000e-03  1.0250000000e-04 -6.2564000000e-03  3.2225000000e-03 -5.0239000000e-03  8.7190000000e-04  1.5853000000e-03 -3.3428000000e-03  4.1303000000e-03  1.4514000000e-03 -3.3018000000e-03 -5.0653000000e-03  7.1330000000e-04 -2.0000000000e-04
-
-JOB 21
-COORDS -3.3394000000e-01  5.5780100000e-01 -1.2343290000e+00 -1.2356800000e-01  1.4770730000e+00 -1.3983850000e+00  1.2744700000e-01  3.4719900000e-01 -4.2254100000e-01  2.6774500000e-01 -5.3471000000e-01  1.1947270000e+00  1.1441190000e+00 -7.3228400000e-01  1.5251300000e+00 -8.8956000000e-02 -1.3848280000e+00  9.3724600000e-01
-ENERGY -1.526606246737e+02
-FORCES  3.4081000000e-03 -2.0467000000e-03  1.2025900000e-02  4.2310000000e-04 -2.9605000000e-03  1.9778000000e-03 -1.3964000000e-03  2.7576000000e-03 -1.0439400000e-02 -1.3743000000e-03 -3.8624000000e-03 -2.0971000000e-03 -4.4063000000e-03  1.2537000000e-03 -2.7680000000e-03  3.3458000000e-03  4.8583000000e-03  1.3008000000e-03
-
-JOB 22
-COORDS  4.7448200000e-01  8.6374500000e-01 -8.8835700000e-01 -2.0153700000e-01  1.5408320000e+00 -9.1634300000e-01  1.2913760000e+00  1.3454490000e+00 -7.5844700000e-01 -5.2382400000e-01 -9.8820300000e-01  8.6390500000e-01 -1.5019500000e-01 -3.2325700000e-01  2.8556300000e-01 -2.2323700000e-01 -7.4176500000e-01  1.7386320000e+00
-ENERGY -1.526602293830e+02
-FORCES -9.2100000000e-05  7.8440000000e-04  2.3335000000e-03  4.2051000000e-03 -4.0273000000e-03  1.6471000000e-03 -4.9467000000e-03 -1.5448000000e-03 -3.2160000000e-04  7.2589000000e-03  9.8343000000e-03 -7.6219000000e-03 -6.1229000000e-03 -5.3301000000e-03  6.9758000000e-03 -3.0240000000e-04  2.8360000000e-04 -3.0128000000e-03
-
-JOB 23
-COORDS -2.6241000000e-02  1.2596670000e+00 -5.4512200000e-01 -5.8494800000e-01  1.1386900000e+00 -1.3128740000e+00 -6.3843300000e-01  1.3571490000e+00  1.8422700000e-01  5.8136000000e-02 -1.3189870000e+00  5.4888000000e-01 -2.6711800000e-01 -4.1958400000e-01  5.8783800000e-01  1.0079070000e+00 -1.2276230000e+00  4.7259800000e-01
-ENERGY -1.526519262225e+02
-FORCES -4.4587000000e-03 -4.0698000000e-03 -2.0404000000e-03  2.6150000000e-03  1.2188000000e-03  4.2600000000e-03  4.8286000000e-03 -8.2719000000e-03 -1.5231000000e-03  5.5201000000e-03  1.2349100000e-02 -6.6969000000e-03 -5.9879000000e-03  1.5068000000e-03  4.6934000000e-03 -2.5171000000e-03 -2.7329000000e-03  1.3070000000e-03
-
-JOB 24
-COORDS -1.8415000000e-01 -1.3805930000e+00  3.5972900000e-01 -2.9016500000e-01 -9.6845900000e-01  1.2171300000e+00 -1.3555100000e-01 -6.4794400000e-01 -2.5435200000e-01  1.4652000000e-01  1.2850880000e+00 -4.0953700000e-01  1.0615760000e+00  1.4399490000e+00 -6.4389100000e-01  5.8447000000e-02  1.6528480000e+00  4.6979700000e-01
-ENERGY -1.526579779178e+02
-FORCES  5.1250000000e-04  1.4653600000e-02 -2.2471000000e-03  4.0880000000e-04 -1.1265000000e-03 -1.0502000000e-03  1.5270000000e-04 -8.3832000000e-03  6.6210000000e-04  3.0683000000e-03 -7.9670000000e-04  4.7693000000e-03 -4.8300000000e-03 -1.4656000000e-03  1.6114000000e-03  6.8770000000e-04 -2.8815000000e-03 -3.7455000000e-03
-
-JOB 25
-COORDS -8.3302400000e-01  8.4822800000e-01 -7.6324900000e-01 -7.6999900000e-01  1.7331390000e+00 -4.0381600000e-01 -2.6055600000e-01  3.2137200000e-01 -2.0563400000e-01  7.3560400000e-01 -8.7553800000e-01  7.0793800000e-01  1.2410540000e+00 -2.7632800000e-01  1.2572100000e+00  1.3949880000e+00 -1.3579580000e+00  2.0922300000e-01
-ENERGY -1.526594741466e+02
-FORCES  7.2348000000e-03 -8.0922000000e-03  7.9938000000e-03  1.3325000000e-03 -3.5694000000e-03  2.7350000000e-04 -4.3610000000e-03  9.6910000000e-03 -4.2482000000e-03  2.6755000000e-03  2.8990000000e-04 -2.6104000000e-03 -3.9954000000e-03 -1.3208000000e-03 -4.8912000000e-03 -2.8864000000e-03  3.0016000000e-03  3.4826000000e-03
-
-JOB 26
-COORDS -9.7975100000e-01 -9.3874400000e-01  3.9587000000e-01 -1.7380070000e+00 -4.4336400000e-01  7.0551200000e-01 -3.1534000000e-01 -2.7342200000e-01  2.1660200000e-01  9.2115900000e-01  8.5643300000e-01 -4.2961900000e-01  1.1762460000e+00  1.6735880000e+00 -1.3440000000e-03  1.7165360000e+00  3.2391800000e-01 -4.2368700000e-01
-ENERGY -1.526603791057e+02
-FORCES  7.3247000000e-03  1.1711100000e-02 -4.1018000000e-03  2.6228000000e-03 -5.3500000000e-04 -7.1400000000e-04 -4.7956000000e-03 -8.4574000000e-03  3.6998000000e-03  9.1920000000e-04 -1.2508000000e-03  2.1163000000e-03 -9.0480000000e-04 -4.4804000000e-03 -2.1857000000e-03 -5.1663000000e-03  3.0125000000e-03  1.1854000000e-03
-
-JOB 27
-COORDS -5.3742500000e-01  3.6632300000e-01  1.1390710000e+00 -1.2805540000e+00  7.7696000000e-02  1.6688690000e+00  7.8277000000e-02  7.3724800000e-01  1.7711770000e+00  5.7335300000e-01 -3.2748500000e-01 -1.2582260000e+00  2.0984200000e-01 -1.1350600000e-01 -3.9897900000e-01  4.7921100000e-01 -1.2774240000e+00 -1.3288340000e+00
-ENERGY -1.526604003736e+02
-FORCES  6.0110000000e-04 -1.6779000000e-03 -1.9896000000e-03  4.3623000000e-03  1.9572000000e-03 -8.8790000000e-04 -3.7909000000e-03 -2.4544000000e-03 -2.8428000000e-03 -6.7010000000e-03  8.0600000000e-04  1.1961000000e-02  5.7945000000e-03 -1.1860000000e-03 -6.9497000000e-03 -2.6610000000e-04  2.5551000000e-03  7.0900000000e-04
-
-JOB 28
-COORDS  7.5099300000e-01  2.8920100000e-01  1.1123800000e+00  3.6204800000e-01  1.0270780000e+00  1.5819430000e+00  1.4168890000e+00  6.8617500000e-01  5.5092900000e-01 -8.0628500000e-01 -4.0547000000e-01 -1.1331680000e+00 -3.0365600000e-01 -4.1975200000e-01 -3.1867900000e-01 -6.1992300000e-01  4.5218600000e-01 -1.5151710000e+00
-ENERGY -1.526588914422e+02
-FORCES -7.0550000000e-04  4.5814000000e-03 -8.5600000000e-04  2.6620000000e-03 -3.1524000000e-03 -3.1943000000e-03 -5.5921000000e-03 -2.0607000000e-03  1.2737000000e-03  6.7421000000e-03  4.9437000000e-03  1.0494800000e-02 -3.2148000000e-03 -2.2438000000e-03 -8.7384000000e-03  1.0830000000e-04 -2.0681000000e-03  1.0203000000e-03
-
-JOB 29
-COORDS -4.7302300000e-01 -1.0531910000e+00 -7.2368700000e-01 -4.2466700000e-01 -8.8429800000e-01 -1.6646270000e+00 -1.4047820000e+00 -1.1893480000e+00 -5.5187600000e-01  5.4166700000e-01  1.0598300000e+00  8.2824700000e-01  6.6774600000e-01  1.6412200000e+00  7.8366000000e-02  1.0698000000e-02  3.4007700000e-01  4.8728000000e-01
-ENERGY -1.526587662257e+02
-FORCES -3.1180000000e-04  1.3078000000e-03 -3.5495000000e-03 -1.0223000000e-03 -6.1710000000e-04  4.7985000000e-03  5.5815000000e-03  2.7664000000e-03 -1.5700000000e-05 -3.7346000000e-03 -8.8549000000e-03 -9.9964000000e-03 -1.9380000000e-04 -1.2334000000e-03  1.8874000000e-03 -3.1910000000e-04  6.6312000000e-03  6.8757000000e-03
-
-JOB 30
-COORDS  1.7393300000e-01  1.0814830000e+00  8.5456500000e-01  2.5356200000e-01  1.6855990000e+00  1.1636900000e-01 -7.4353200000e-01  1.1461660000e+00  1.1197190000e+00 -1.5687400000e-01 -1.1497800000e+00 -8.8364800000e-01  6.1997300000e-01 -1.4615010000e+00 -4.1935200000e-01 -4.3256900000e-01 -3.7361000000e-01 -3.9601600000e-01
-ENERGY -1.526569742759e+02
-FORCES -7.2090000000e-04  3.1703000000e-03 -1.4663000000e-03 -1.7797000000e-03 -5.1802000000e-03  3.2773000000e-03  4.7266000000e-03 -3.3458000000e-03 -4.6323000000e-03  5.4622000000e-03  8.0481000000e-03  1.0788600000e-02 -1.9624000000e-03 -1.1994000000e-03 -2.8887000000e-03 -5.7258000000e-03 -1.4929000000e-03 -5.0786000000e-03
-
-JOB 31
-COORDS  1.2653500000e-01 -8.5352000000e-01 -1.1393550000e+00 -1.7889700000e-01 -2.1015200000e-01 -4.9980700000e-01  2.4528500000e-01 -3.5223700000e-01 -1.9461050000e+00 -1.2924300000e-01  7.4157100000e-01  1.1133420000e+00  6.3300000000e-02  7.0173800000e-01  2.0501300000e+00 -7.3249000000e-02  1.6721300000e+00  8.9618500000e-01
-ENERGY -1.526583738729e+02
-FORCES -7.7170000000e-04  6.6058000000e-03  8.2151000000e-03 -4.3920000000e-04 -1.6651000000e-03 -9.1605000000e-03 -4.7330000000e-04 -1.2550000000e-04  3.6761000000e-03  2.8235000000e-03 -2.1531000000e-03  1.2392000000e-03 -8.3370000000e-04  2.5044000000e-03 -3.8714000000e-03 -3.0570000000e-04 -5.1664000000e-03 -9.8500000000e-05
-
-JOB 32
-COORDS -7.3222600000e-01 -8.3550800000e-01  9.0507100000e-01 -3.5503400000e-01 -3.0848400000e-01  2.0065300000e-01 -1.6529630000e+00 -9.3558100000e-01  6.6328300000e-01  6.9834400000e-01  8.0919200000e-01 -8.5184100000e-01  1.3113260000e+00  1.9713500000e-01 -1.2591160000e+00  1.2563530000e+00  1.4557420000e+00 -4.1960200000e-01
-ENERGY -1.526616792841e+02
-FORCES  3.4977000000e-03  7.9382000000e-03 -8.0311000000e-03 -4.9244000000e-03 -8.6193000000e-03  5.3400000000e-03  3.2050000000e-03  9.4710000000e-04 -2.6130000000e-04  3.7866000000e-03  3.3580000000e-04  3.0732000000e-03 -3.7756000000e-03  2.7864000000e-03  3.1059000000e-03 -1.7893000000e-03 -3.3882000000e-03 -3.2268000000e-03
-
-JOB 33
-COORDS  7.6450500000e-01 -3.1135400000e-01 -1.0879280000e+00  9.6812000000e-01 -1.2421080000e+00 -1.1799530000e+00  1.6125810000e+00  1.0606300000e-01 -9.3705300000e-01 -8.8244400000e-01  3.4366500000e-01  1.0743120000e+00 -2.2888100000e-01  7.7087000000e-02  4.2776500000e-01 -3.7758000000e-01  5.1509100000e-01  1.8692690000e+00
-ENERGY -1.526601283841e+02
-FORCES  2.2759000000e-03 -1.6731000000e-03 -6.2500000000e-04 -4.7380000000e-04  5.4034000000e-03  1.2859000000e-03 -5.1656000000e-03 -2.7661000000e-03  1.2125000000e-03  7.9336000000e-03 -2.8059000000e-03 -8.6519000000e-03 -4.4658000000e-03  2.6141000000e-03  1.0382700000e-02 -1.0430000000e-04 -7.7240000000e-04 -3.6041000000e-03
-
-JOB 34
-COORDS  7.4438000000e-02  1.0139390000e+00 -8.9005300000e-01  7.8379400000e-01  1.0852330000e+00 -1.5287720000e+00  5.4068000000e-02  1.8677020000e+00 -4.5772800000e-01 -6.6823000000e-02 -1.1162510000e+00  8.9487600000e-01 -7.8046000000e-01 -1.0430230000e+00  1.5285900000e+00 -1.3160600000e-01 -3.2011000000e-01  3.6743500000e-01
-ENERGY -1.526606586187e+02
-FORCES  4.2715000000e-03 -7.0090000000e-04 -2.1200000000e-04 -3.7021000000e-03  1.6349000000e-03  2.9622000000e-03  1.0050000000e-04 -5.0273000000e-03 -1.5010000000e-03 -1.0246000000e-03  8.7977000000e-03 -7.5108000000e-03  2.1552000000e-03  1.5634000000e-03 -2.5033000000e-03 -1.8004000000e-03 -6.2679000000e-03  8.7650000000e-03
-
-JOB 35
-COORDS -9.1757000000e-02 -5.0036400000e-01 -1.2594610000e+00 -8.8845300000e-01 -1.0206710000e+00 -1.1555930000e+00 -2.1830800000e-01 -2.9529000000e-02 -2.0831910000e+00  1.5956200000e-01  5.6969600000e-01  1.3109360000e+00  5.5527800000e-01 -5.6730000000e-02  7.0494100000e-01 -5.2991800000e-01  7.3772000000e-02  1.7524200000e+00
-ENERGY -1.526555000123e+02
-FORCES -4.0407000000e-03  4.6922000000e-03  8.8280000000e-04  3.7802000000e-03  1.9056000000e-03  4.4000000000e-04 -3.1480000000e-04 -2.8170000000e-03  3.0355000000e-03 -1.7490000000e-03 -5.8704000000e-03 -9.6954000000e-03  6.2110000000e-04  7.5780000000e-04  7.3888000000e-03  1.7032000000e-03  1.3317000000e-03 -2.0517000000e-03
-
-JOB 36
-COORDS  6.5584000000e-01  7.5029600000e-01  1.0124700000e+00  1.0557500000e-01  3.1705000000e-02  7.0091300000e-01  3.8313300000e-01  8.8531900000e-01  1.9200120000e+00 -5.7127100000e-01 -7.6599800000e-01 -1.0062530000e+00 -1.4974400000e+00 -5.4214300000e-01 -9.1497600000e-01 -2.6691800000e-01 -2.3335600000e-01 -1.7410280000e+00
-ENERGY -1.526595676834e+02
-FORCES -3.8592000000e-03 -6.6763000000e-03 -4.7536000000e-03  1.6825000000e-03  6.0885000000e-03  8.4854000000e-03 -8.1910000000e-04 -1.6372000000e-03 -4.1040000000e-03  6.3060000000e-04  6.0851000000e-03 -3.9254000000e-03  5.1727000000e-03 -4.9640000000e-04  1.6917000000e-03 -2.8075000000e-03 -3.3637000000e-03  2.6060000000e-03
-
-JOB 37
-COORDS -6.0832500000e-01 -1.1880800000e+00  2.1952900000e-01 -1.3911420000e+00 -1.7316900000e+00  1.3053900000e-01  1.1887400000e-01 -1.7824520000e+00  3.4773000000e-02  6.3007900000e-01  1.2733740000e+00 -2.6739200000e-01  8.6632200000e-01  1.7469110000e+00  5.3022000000e-01  8.9149000000e-02  5.4484100000e-01  3.7346000000e-02
-ENERGY -1.526614162190e+02
-FORCES  2.8660000000e-04 -9.7420000000e-04 -2.5567000000e-03  4.5421000000e-03  7.4820000000e-04  3.7700000000e-04 -4.4371000000e-03  2.4104000000e-03  1.2841000000e-03 -5.8299000000e-03 -7.1365000000e-03  3.8322000000e-03 -1.0749000000e-03 -2.3590000000e-03 -2.0625000000e-03  6.5132000000e-03  7.3111000000e-03 -8.7390000000e-04
-
-JOB 38
-COORDS  4.4372700000e-01  1.1895630000e+00  4.8796500000e-01  1.3854150000e+00  1.1040220000e+00  6.3675200000e-01  1.3411300000e-01  1.7303620000e+00  1.2145380000e+00 -5.3643200000e-01 -1.2024680000e+00 -5.7542800000e-01 -1.0986600000e-01 -2.0502830000e+00 -4.5100100000e-01 -1.1999000000e-02 -5.9166300000e-01 -5.7626000000e-02
-ENERGY -1.526587872132e+02
-FORCES -8.6350000000e-04  2.3996000000e-03  2.4344000000e-03 -5.7672000000e-03 -2.1994000000e-03 -5.3260000000e-04  2.8424000000e-03 -1.9833000000e-03 -3.5419000000e-03  3.4251000000e-03  7.6282000000e-03  4.5680000000e-03 -8.7900000000e-05  4.2065000000e-03  5.2400000000e-04  4.5110000000e-04 -1.0051600000e-02 -3.4519000000e-03
-
-JOB 39
-COORDS -1.4200980000e+00  4.4480000000e-03 -2.2176400000e-01 -5.6393500000e-01  1.6326400000e-01  1.7572100000e-01 -2.0454730000e+00  1.5553300000e-01  4.8697500000e-01  1.3806840000e+00  1.4568000000e-02  2.0320100000e-01  1.7030140000e+00  3.1425300000e-01 -6.4681300000e-01  1.5257660000e+00 -9.3153700000e-01  1.9490300000e-01
-ENERGY -1.526618084771e+02
-FORCES  8.9176000000e-03  1.6075000000e-03  3.8539000000e-03 -1.1183400000e-02 -7.9190000000e-04 -1.5401000000e-03  3.4856000000e-03 -5.9300000000e-04 -1.4813000000e-03  1.0542000000e-03 -3.2475000000e-03 -5.2587000000e-03 -1.3898000000e-03 -1.9682000000e-03  4.3875000000e-03 -8.8430000000e-04  4.9930000000e-03  3.8700000000e-05
-
-JOB 40
-COORDS  4.0907800000e-01 -1.2806970000e+00  1.9525300000e-01  1.3432130000e+00 -1.1714970000e+00  3.7329400000e-01  2.7171200000e-01 -2.2279200000e+00  2.0670700000e-01 -4.5045400000e-01  1.3544420000e+00 -2.6254800000e-01 -6.6308200000e-01  1.7931270000e+00  5.6120900000e-01 -3.0113500000e-01  4.4148700000e-01 -1.6684000000e-02
-ENERGY -1.526610844515e+02
-FORCES  9.1510000000e-04 -8.7330000000e-04 -1.0020000000e-03 -5.0526000000e-03 -1.2064000000e-03 -2.7540000000e-04  2.6378000000e-03  3.8488000000e-03  3.9720000000e-04  6.5450000000e-04 -9.2867000000e-03  3.4132000000e-03  1.1870000000e-03 -2.0626000000e-03 -2.1686000000e-03 -3.4180000000e-04  9.5802000000e-03 -3.6430000000e-04
-
-JOB 41
-COORDS -3.5221700000e-01 -5.0493900000e-01  1.2144030000e+00  2.5279900000e-01 -2.6589500000e-01  1.9165740000e+00 -1.1726100000e+00 -7.0867300000e-01  1.6634910000e+00  3.4623800000e-01  5.0475700000e-01 -1.3408040000e+00  1.1484460000e+00  8.7859300000e-01 -9.7619300000e-01 -9.8356000000e-02  1.1177200000e-01 -5.8971800000e-01
-ENERGY -1.526599728500e+02
-FORCES  5.8540000000e-04  1.4685000000e-03  1.6691000000e-03 -3.3413000000e-03 -1.1737000000e-03 -2.8563000000e-03  4.4391000000e-03  1.1283000000e-03 -1.4397000000e-03 -9.3970000000e-04 -3.3741000000e-03  1.1904200000e-02 -1.6637000000e-03 -7.1310000000e-04 -1.1070000000e-03  9.2020000000e-04  2.6641000000e-03 -8.1702000000e-03
-
-JOB 42
-COORDS -1.6995900000e-01 -1.4493450000e+00 -2.9316500000e-01 -4.6330000000e-01 -1.4874850000e+00  6.1718000000e-01  3.2711000000e-02 -5.2568200000e-01 -4.4150000000e-01  1.6515600000e-01  1.3762770000e+00  1.8464300000e-01  9.6814000000e-01  1.3958940000e+00  7.0528000000e-01 -5.0230400000e-01  1.7520370000e+00  7.5869300000e-01
-ENERGY -1.526596784157e+02
-FORCES -4.4370000000e-04  1.1768400000e-02  3.9685000000e-03  7.1850000000e-04 -8.8470000000e-04 -1.9479000000e-03  1.2503000000e-03 -8.5200000000e-03 -2.0704000000e-03 -7.2020000000e-04  8.2910000000e-04  4.2455000000e-03 -4.7415000000e-03 -1.1339000000e-03 -2.3379000000e-03  3.9366000000e-03 -2.0589000000e-03 -1.8580000000e-03
-
-JOB 43
-COORDS -4.6104400000e-01  1.2089570000e+00  6.4270500000e-01 -4.9239800000e-01  1.4018060000e+00  1.5797520000e+00 -2.9373800000e-01  2.6760600000e-01  5.9688900000e-01  4.9686500000e-01 -1.1127070000e+00 -6.8313800000e-01 -8.6387000000e-02 -1.2340750000e+00 -1.4323500000e+00  3.5148400000e-01 -1.8860170000e+00 -1.3807900000e-01
-ENERGY -1.526578139009e+02
-FORCES  4.0240000000e-03 -7.1882000000e-03 -2.3072000000e-03  7.3710000000e-04 -2.5637000000e-03 -3.4230000000e-03 -5.1503000000e-03  5.4890000000e-03  6.7728000000e-03 -1.8378000000e-03 -1.9625000000e-03 -4.6775000000e-03  2.9376000000e-03 -2.3200000000e-04  4.3164000000e-03 -7.1060000000e-04  6.4573000000e-03 -6.8140000000e-04
-
-JOB 44
-COORDS  1.0702120000e+00  1.2739500000e-01  1.0201500000e+00  1.5719320000e+00  8.5955700000e-01  6.6175500000e-01  4.2193200000e-01 -7.2647000000e-02  3.4491100000e-01 -9.9620000000e-01 -1.5499000000e-01 -9.7625300000e-01 -1.6643110000e+00 -7.6960700000e-01 -1.2797390000e+00 -1.4217950000e+00  3.3346700000e-01 -2.7161800000e-01
-ENERGY -1.526596976832e+02
-FORCES -2.5414000000e-03 -1.0336000000e-03 -9.2687000000e-03 -2.1642000000e-03 -2.0279000000e-03  1.3593000000e-03  1.1307000000e-03  5.0171000000e-03  8.5173000000e-03 -4.5266000000e-03 -1.9294000000e-03  4.0650000000e-04  2.1046000000e-03  3.9897000000e-03  1.5975000000e-03  5.9969000000e-03 -4.0159000000e-03 -2.6120000000e-03
-
-JOB 45
-COORDS -9.9684200000e-01 -9.7051800000e-01 -1.0930200000e-01 -1.6996550000e+00 -1.2845140000e+00  4.5963700000e-01 -1.4487000000e+00 -6.0958800000e-01 -8.7205000000e-01  1.1348550000e+00  9.5562600000e-01  1.1217200000e-01  7.2034000000e-01  1.7526070000e+00  4.4267200000e-01  4.0658100000e-01  3.5625900000e-01 -5.0951000000e-02
-ENERGY -1.526596799339e+02
-FORCES -3.6702000000e-03 -1.0898000000e-03  1.8964000000e-03  2.2165000000e-03  1.3736000000e-03 -4.0058000000e-03  3.7006000000e-03  1.3420000000e-04  5.1142000000e-03 -8.5546000000e-03 -5.4568000000e-03  1.9308000000e-03  7.7260000000e-04 -2.5633000000e-03 -1.2705000000e-03  5.5351000000e-03  7.6021000000e-03 -3.6651000000e-03
-
-JOB 46
-COORDS -1.4608100000e-01 -1.0181280000e+00  1.0664990000e+00  4.2319500000e-01 -8.1051300000e-01  1.8074800000e+00  1.0915000000e-02 -3.1314700000e-01  4.3833900000e-01  6.8727000000e-02  9.2960200000e-01 -1.0295260000e+00  3.4361300000e-01  6.8833200000e-01 -1.9140920000e+00  4.3116900000e-01  1.8054230000e+00 -8.9608600000e-01
-ENERGY -1.526612237059e+02
-FORCES  2.1062000000e-03  7.6335000000e-03 -5.9742000000e-03 -1.5241000000e-03  3.4500000000e-04 -2.7655000000e-03 -1.0860000000e-04 -6.6550000000e-03  8.4270000000e-03  1.6456000000e-03  6.6930000000e-04 -2.9408000000e-03 -9.7260000000e-04  2.6176000000e-03  4.0689000000e-03 -1.1465000000e-03 -4.6105000000e-03 -8.1540000000e-04
-
-JOB 47
-COORDS -2.2569200000e-01  1.4979970000e+00 -1.8948000000e-02  6.1109600000e-01  1.3207500000e+00  4.1070300000e-01 -6.1889300000e-01  6.3430700000e-01 -1.4410900000e-01  2.0904000000e-01 -1.3840720000e+00  4.3229000000e-02  7.0351900000e-01 -1.5858030000e+00 -7.5114300000e-01 -4.1729200000e-01 -2.1032560000e+00  1.2516800000e-01
-ENERGY -1.526594323728e+02
-FORCES  3.1931000000e-03 -1.1468200000e-02  2.7239000000e-03 -1.2333000000e-03  3.1977000000e-03 -1.6171000000e-03 -2.8936000000e-03  6.5039000000e-03 -1.6230000000e-03  1.1225000000e-03 -3.4921000000e-03 -2.4574000000e-03 -2.7196000000e-03  1.0372000000e-03  4.1138000000e-03  2.5309000000e-03  4.2214000000e-03 -1.1402000000e-03
-
-JOB 48
-COORDS  3.1076100000e-01 -1.3236630000e+00 -3.1322100000e-01  1.1940820000e+00 -1.6266340000e+00 -5.2342400000e-01 -2.5776500000e-01 -1.8071660000e+00 -9.1258300000e-01 -2.9795500000e-01  1.4271030000e+00  3.9943800000e-01  1.3751200000e-01  6.2762400000e-01  1.0374700000e-01 -1.2019060000e+00  1.3331960000e+00  9.8963000000e-02
-ENERGY -1.526600431250e+02
-FORCES -2.6820000000e-04 -2.7798000000e-03 -2.6065000000e-03 -4.6570000000e-03  1.9608000000e-03  6.7660000000e-04  3.0943000000e-03  2.0187000000e-03  2.7818000000e-03 -7.1520000000e-04 -1.1052000000e-02 -3.3629000000e-03  4.7720000000e-04  8.9341000000e-03  1.7928000000e-03  2.0689000000e-03  9.1820000000e-04  7.1820000000e-04
-
-JOB 49
-COORDS -6.1245600000e-01  1.2060570000e+00 -3.9459000000e-01 -8.9666300000e-01  1.8762760000e+00  2.2691200000e-01  4.5277000000e-02  1.6435230000e+00 -9.3518500000e-01  5.5768100000e-01 -1.3330050000e+00  4.1826600000e-01  1.3208980000e+00 -1.2836610000e+00 -1.5731700000e-01  2.9671100000e-01 -4.2146100000e-01  5.4946900000e-01
-ENERGY -1.526579263609e+02
-FORCES  2.0200000000e-05  4.1724000000e-03 -2.4322000000e-03  2.4365000000e-03 -4.3437000000e-03 -2.5020000000e-03 -2.5216000000e-03 -2.8077000000e-03  3.5302000000e-03 -2.5453000000e-03  9.4824000000e-03 -4.6164000000e-03 -2.1061000000e-03 -1.1100000000e-05  1.6179000000e-03  4.7162000000e-03 -6.4923000000e-03  4.4025000000e-03
-
-JOB 50
-COORDS  7.1658600000e-01  1.1266000000e+00  6.3523700000e-01  7.1814000000e-02  4.2767800000e-01  5.2564900000e-01  4.3260400000e-01  1.5940860000e+00  1.4207580000e+00 -6.1901600000e-01 -1.1142350000e+00 -6.2177000000e-01 -4.7717500000e-01 -1.4101040000e+00 -1.5209780000e+00 -1.5213140000e+00 -7.9482200000e-01 -6.1373200000e-01
-ENERGY -1.526583579498e+02
-FORCES -3.2724000000e-03 -6.3287000000e-03 -1.3393000000e-03  9.7500000000e-05  8.2596000000e-03  5.3031000000e-03 -3.9550000000e-04 -2.6855000000e-03 -3.2790000000e-03  3.3890000000e-04  1.3340000000e-04 -6.3296000000e-03 -2.3644000000e-03  3.4870000000e-04  3.8576000000e-03  5.5959000000e-03  2.7250000000e-04  1.7872000000e-03
-
-JOB 51
-COORDS -6.8182800000e-01  7.3197200000e-01 -1.1453090000e+00 -1.4153080000e+00  1.1877100000e-01 -1.1924690000e+00 -1.0269300000e-01  3.6258900000e-01 -4.7868300000e-01  7.1433500000e-01 -6.0856700000e-01  1.0949200000e+00 -1.2997500000e-01 -8.6475400000e-01  1.4660550000e+00  1.1690230000e+00 -1.4363180000e+00  9.3897500000e-01
-ENERGY -1.526599864174e+02
-FORCES  4.0693000000e-03 -5.8478000000e-03  6.5543000000e-03  2.2309000000e-03  1.6131000000e-03  9.7330000000e-04 -6.8057000000e-03  3.8980000000e-03 -6.8123000000e-03 -1.3090000000e-04 -5.0397000000e-03  2.6375000000e-03  3.7703000000e-03  1.4578000000e-03 -4.2819000000e-03 -3.1339000000e-03  3.9186000000e-03  9.2890000000e-04
-
-JOB 52
-COORDS  3.5813700000e-01  1.4791910000e+00 -5.1578000000e-02  2.3070900000e-01  5.3174100000e-01 -9.9868000000e-02 -4.1459600000e-01  1.8474120000e+00 -4.7998100000e-01 -2.6806800000e-01 -1.4076250000e+00  3.4075000000e-02 -1.2006380000e+00 -1.3138250000e+00  2.2835700000e-01  1.9272000000e-02 -2.1371300000e+00  5.8315700000e-01
-ENERGY -1.526605043549e+02
-FORCES -2.3608000000e-03 -8.2944000000e-03 -1.6551000000e-03 -5.8660000000e-04  1.0312500000e-02 -5.0670000000e-04  1.7803000000e-03 -1.9926000000e-03  1.8277000000e-03 -1.1159000000e-03 -3.4755000000e-03  4.1784000000e-03  5.0113000000e-03  7.6270000000e-04 -1.2321000000e-03 -2.7283000000e-03  2.6873000000e-03 -2.6121000000e-03
-
-JOB 53
-COORDS -6.7426900000e-01  1.3192660000e+00  3.6593000000e-02 -5.6844400000e-01  1.5325270000e+00  9.6371400000e-01 -8.2010000000e-03  1.8437260000e+00 -4.0784600000e-01  6.1022600000e-01 -1.4200000000e+00 -3.4424000000e-02  1.0338800000e-01 -6.2796300000e-01 -2.1337700000e-01  1.4503040000e+00 -1.2704530000e+00 -4.6817100000e-01
-ENERGY -1.526602564244e+02
-FORCES  2.0791000000e-03  5.0527000000e-03  4.1052000000e-03 -2.3900000000e-04 -5.0880000000e-04 -5.0930000000e-03 -2.3815000000e-03 -4.1919000000e-03  2.0799000000e-03 -2.4297000000e-03  7.9264000000e-03 -2.0814000000e-03  5.7539000000e-03 -8.6207000000e-03 -5.2070000000e-04 -2.7828000000e-03  3.4230000000e-04  1.5100000000e-03
-
-JOB 54
-COORDS -1.0507380000e+00  6.5408600000e-01  9.1695700000e-01 -5.7870800000e-01  1.2389510000e+00  1.5097080000e+00 -3.6591600000e-01  2.4409100000e-01  3.8860600000e-01  9.6714800000e-01 -5.9479100000e-01 -9.1251000000e-01  4.5486600000e-01 -1.2872850000e+00 -1.3299440000e+00  1.7749130000e+00 -1.0274280000e+00 -6.3579400000e-01
-ENERGY -1.526615127940e+02
-FORCES  8.3292000000e-03 -1.1766000000e-03 -3.8525000000e-03 -1.1788000000e-03 -2.0169000000e-03 -1.6396000000e-03 -8.1888000000e-03  2.9282000000e-03  5.9631000000e-03  2.3220000000e-03 -5.0770000000e-03 -1.8754000000e-03  2.6963000000e-03  3.5438000000e-03  3.0250000000e-03 -3.9800000000e-03  1.7984000000e-03 -1.6206000000e-03
-
-JOB 55
-COORDS -7.9271000000e-01 -1.1872240000e+00 -5.6746000000e-01 -4.8926900000e-01 -4.6938600000e-01 -1.1705000000e-02 -1.0295720000e+00 -1.8823930000e+00  4.6436000000e-02  7.6719700000e-01  1.1459860000e+00  5.5463400000e-01  1.5030680000e+00  1.0233270000e+00 -4.5100000000e-02  3.8733800000e-01  1.9867630000e+00  2.9961900000e-01
-ENERGY -1.526618147307e+02
-FORCES  2.6413000000e-03  4.1755000000e-03  6.0625000000e-03 -5.2525000000e-03 -7.8896000000e-03 -4.6759000000e-03  1.0791000000e-03  2.6860000000e-03 -1.6742000000e-03  3.6811000000e-03  4.3061000000e-03 -3.7582000000e-03 -3.9303000000e-03  1.0894000000e-03  3.1155000000e-03  1.7814000000e-03 -4.3674000000e-03  9.3020000000e-04
-
-JOB 56
-COORDS  3.9933600000e-01  5.5372600000e-01  1.3074070000e+00  1.2522480000e+00  1.3299500000e-01  1.4158460000e+00 -7.2300000000e-04  5.1258800000e-01  2.1760220000e+00 -4.1162100000e-01 -5.9273600000e-01 -1.3723850000e+00  2.1743000000e-02 -1.8731000000e-02 -7.4076400000e-01 -1.0601730000e+00 -3.3186000000e-02 -1.7996040000e+00
-ENERGY -1.526593484731e+02
-FORCES -7.5600000000e-04 -3.0066000000e-03  5.2879000000e-03 -4.3508000000e-03  2.0124000000e-03 -1.5959000000e-03  2.9422000000e-03  5.0020000000e-04 -2.8680000000e-03 -6.7780000000e-04  5.9470000000e-03  5.7898000000e-03  9.1770000000e-04 -3.5322000000e-03 -8.0454000000e-03  1.9247000000e-03 -1.9209000000e-03  1.4316000000e-03
-
-JOB 57
-COORDS  6.7366100000e-01  1.3139130000e+00  1.3375500000e-01  3.5043100000e-01  1.8628340000e+00 -5.8069600000e-01  1.6201720000e+00  1.2743820000e+00 -3.3080000000e-03 -7.0093200000e-01 -1.3926500000e+00 -1.2619800000e-01 -1.2055900000e+00 -1.4231710000e+00  6.8658800000e-01 -3.6805900000e-01 -4.9619000000e-01 -1.6848200000e-01
-ENERGY -1.526612757899e+02
-FORCES  5.1178000000e-03  3.5550000000e-03 -2.0931000000e-03  1.2254000000e-03 -4.1585000000e-03  3.2899000000e-03 -4.7904000000e-03  9.8690000000e-04  2.3330000000e-04  2.4779000000e-03  7.8639000000e-03  4.1683000000e-03  1.3197000000e-03 -2.0200000000e-04 -2.6565000000e-03 -5.3504000000e-03 -8.0453000000e-03 -2.9419000000e-03
-
-JOB 58
-COORDS  1.1396280000e+00 -1.0603290000e+00 -6.5713000000e-02  6.7721500000e-01 -1.0383100000e+00  7.7209400000e-01  4.9928900000e-01 -1.4122170000e+00 -6.8407600000e-01 -1.0674830000e+00  1.1370170000e+00  8.9631000000e-02 -7.1286500000e-01  9.4805100000e-01 -7.7914400000e-01 -1.5473360000e+00  3.4459100000e-01  3.3053600000e-01
-ENERGY -1.526523325117e+02
-FORCES -4.9971000000e-03  9.6120000000e-04  2.9740000000e-03  1.3043000000e-03 -2.1123000000e-03 -3.6936000000e-03  1.5113000000e-03  3.1026000000e-03  2.0446000000e-03  2.7794000000e-03 -4.3877000000e-03 -3.6717000000e-03 -3.6682000000e-03  5.0680000000e-04  2.6646000000e-03  3.0704000000e-03  1.9294000000e-03 -3.1790000000e-04
-
-JOB 59
-COORDS  8.3732800000e-01  4.7331400000e-01 -1.1851850000e+00  1.6197840000e+00 -7.7382000000e-02 -1.1581900000e+00  9.5641700000e-01  1.0948610000e+00 -4.6704200000e-01 -8.4392600000e-01 -5.1609900000e-01  1.1675590000e+00 -9.3033500000e-01 -1.5327300000e-01  2.8601400000e-01 -1.6148740000e+00 -1.9553300000e-01  1.6356490000e+00
-ENERGY -1.526589249130e+02
-FORCES  6.1044000000e-03 -1.1083000000e-03  4.1070000000e-03 -2.7192000000e-03  3.0683000000e-03 -7.9400000000e-04 -2.2002000000e-03 -2.5073000000e-03 -3.8559000000e-03 -2.1730000000e-03  1.1114000000e-03 -4.6761000000e-03 -2.4184000000e-03 -1.4710000000e-04  7.7438000000e-03  3.4064000000e-03 -4.1710000000e-04 -2.5248000000e-03
-
-JOB 60
-COORDS -2.6369000000e-02  1.2437390000e+00  9.8017100000e-01  1.4906100000e-01  4.8623300000e-01  4.2192300000e-01 -3.7081500000e-01  8.6960100000e-01  1.7911020000e+00  4.8158000000e-02 -1.1147680000e+00 -9.5862400000e-01 -6.7368900000e-01 -1.2941090000e+00 -1.5611220000e+00  5.8828500000e-01 -1.9044170000e+00 -9.8942400000e-01
-ENERGY -1.526612353618e+02
-FORCES -5.6130000000e-04 -7.6241000000e-03 -2.5995000000e-03  2.3070000000e-04  7.3043000000e-03  6.3361000000e-03  1.0822000000e-03  1.2171000000e-03 -2.4055000000e-03 -1.4675000000e-03 -3.5387000000e-03 -3.6573000000e-03  3.8049000000e-03 -5.7690000000e-04  2.4477000000e-03 -3.0890000000e-03  3.2183000000e-03 -1.2150000000e-04
-
-JOB 61
-COORDS -7.4823200000e-01  1.3278390000e+00 -1.9076800000e-01  2.0025000000e-02  1.8414600000e+00  5.8643000000e-02 -1.4098770000e+00  1.5525960000e+00  4.6340500000e-01  7.8947600000e-01 -1.4033950000e+00  1.8429600000e-01  3.9532000000e-01 -1.7571200000e+00 -6.1304400000e-01  4.4483900000e-01 -5.1263700000e-01  2.4759800000e-01
-ENERGY -1.526598660671e+02
-FORCES -2.3657000000e-03  5.9672000000e-03  2.6298000000e-03 -3.3454000000e-03 -5.0309000000e-03 -4.2920000000e-04  3.6465000000e-03 -9.0810000000e-04 -3.1100000000e-03 -6.2640000000e-03  5.2521000000e-03 -4.2413000000e-03  1.9010000000e-03 -4.4900000000e-05  2.6841000000e-03  6.4275000000e-03 -5.2355000000e-03  2.4665000000e-03
-
-JOB 62
-COORDS  1.1122840000e+00  2.8239000000e-01 -1.0279170000e+00  9.9380400000e-01  1.1517950000e+00 -6.4538900000e-01  1.2629070000e+00  4.4815900000e-01 -1.9585440000e+00 -1.1747220000e+00 -3.6063400000e-01  1.0661840000e+00 -4.0348000000e-01 -8.8018200000e-01  1.2930920000e+00 -8.2011300000e-01  4.7346100000e-01  7.5833600000e-01
-ENERGY -1.526536548855e+02
-FORCES  1.2830000000e-04  3.5942000000e-03 -4.1854000000e-03 -1.7008000000e-03 -4.6989000000e-03  4.2630000000e-04 -4.8260000000e-04 -5.6020000000e-04  4.2408000000e-03  7.3197000000e-03 -1.9800000000e-04 -4.2431000000e-03 -3.9422000000e-03  1.7784000000e-03  1.4272000000e-03 -1.3224000000e-03  8.4500000000e-05  2.3343000000e-03
-
-JOB 63
-COORDS -7.5974600000e-01 -1.1877250000e+00  8.5683000000e-01 -6.1945000000e-02 -1.2963580000e+00  2.1068400000e-01 -1.2544070000e+00 -4.2771200000e-01  5.5036300000e-01  6.9184700000e-01  1.1605870000e+00 -8.2909300000e-01  1.1614740000e+00  1.6931230000e+00 -1.8715300000e-01  1.2360340000e+00  3.8070600000e-01 -9.3808300000e-01
-ENERGY -1.526553174531e+02
-FORCES  9.5060000000e-04  6.1957000000e-03 -5.7539000000e-03 -6.0000000000e-05 -1.0109000000e-03  1.9068000000e-03 -1.6250000000e-04 -4.5456000000e-03  2.8893000000e-03  5.5361000000e-03  2.4830000000e-04  3.0114000000e-03 -2.1037000000e-03 -2.2268000000e-03 -3.2711000000e-03 -4.1605000000e-03  1.3394000000e-03  1.2175000000e-03
-
-JOB 64
-COORDS  6.6409400000e-01  8.6221000000e-01  1.0978670000e+00  6.3449300000e-01  1.3177880000e+00  1.9391780000e+00  1.3720990000e+00  2.2534000000e-01  1.1946040000e+00 -6.5464500000e-01 -8.7140000000e-01 -1.1880560000e+00 -1.6010550000e+00 -9.8509000000e-01 -1.2753160000e+00 -5.4539700000e-01 -3.8948600000e-01 -3.6826600000e-01
-ENERGY -1.526600078852e+02
-FORCES  4.3336000000e-03  1.2283000000e-03  4.8541000000e-03  9.0520000000e-04 -2.1221000000e-03 -3.5451000000e-03 -4.4034000000e-03  2.8166000000e-03 -1.3170000000e-04 -2.1106000000e-03  4.0974000000e-03  4.4883000000e-03  3.2096000000e-03  5.3740000000e-04  5.3650000000e-04 -1.9344000000e-03 -6.5576000000e-03 -6.2021000000e-03
-
-JOB 65
-COORDS  5.4467500000e-01  4.0501900000e-01  1.5280040000e+00 -1.9140200000e-01  1.8547200000e-01  9.5684600000e-01  1.3057990000e+00  1.2895000000e-02  1.1000300000e+00 -5.4324600000e-01 -3.8234100000e-01 -1.4088910000e+00 -3.6790200000e-01  4.5799800000e-01 -1.8323500000e+00 -7.5330300000e-01 -9.7539000000e-01 -2.1302790000e+00
-ENERGY -1.526594056492e+02
-FORCES -1.0658000000e-03 -4.5856000000e-03 -6.6656000000e-03  2.6574000000e-03  3.2656000000e-03  5.5223000000e-03 -1.2622000000e-03  2.1423000000e-03  2.6353000000e-03 -8.3570000000e-04  2.2870000000e-04 -6.1173000000e-03 -7.9350000000e-04 -4.1744000000e-03  2.0661000000e-03  1.2998000000e-03  3.1234000000e-03  2.5592000000e-03
-
-JOB 66
-COORDS  1.3730300000e-01  1.1261040000e+00  1.2128700000e+00 -6.8576800000e-01  1.0284020000e+00  1.6916610000e+00  1.1386900000e-01  4.3438700000e-01  5.5165100000e-01 -6.7056000000e-02 -1.1138100000e+00 -1.1512560000e+00 -9.7950100000e-01 -8.3822600000e-01 -1.2391660000e+00  3.3914200000e-01 -8.6756100000e-01 -1.9822780000e+00
-ENERGY -1.526593143581e+02
-FORCES -1.6112000000e-03 -5.8277000000e-03 -2.2701000000e-03  2.4842000000e-03  2.8170000000e-04 -2.3733000000e-03 -1.9755000000e-03  7.2962000000e-03  5.8680000000e-03 -1.5085000000e-03 -4.4510000000e-04 -7.4646000000e-03  5.0608000000e-03 -1.5000000000e-05  2.3665000000e-03 -2.4497000000e-03 -1.2902000000e-03  3.8735000000e-03
-
-JOB 67
-COORDS -5.9243000000e-02 -8.3619400000e-01 -1.4860340000e+00  5.8403100000e-01 -4.4907400000e-01 -2.0798090000e+00 -5.4958000000e-02 -2.6201900000e-01 -7.2017700000e-01  2.4996000000e-02  7.2216700000e-01  1.4534100000e+00  1.1301100000e-01  1.5692730000e+00  1.0164930000e+00 -1.1089100000e-01  9.4064100000e-01  2.3753840000e+00
-ENERGY -1.526573104124e+02
-FORCES  2.4487000000e-03  2.9595000000e-03  3.5987000000e-03 -2.5189000000e-03 -8.8640000000e-04  2.3860000000e-03  2.2980000000e-04 -8.5950000000e-04 -7.9801000000e-03 -7.9260000000e-04  3.9260000000e-03  5.8310000000e-03 -3.2040000000e-04 -5.2546000000e-03  1.4120000000e-04  9.5350000000e-04  1.1510000000e-04 -3.9768000000e-03
-
-JOB 68
-COORDS  2.1266400000e-01 -1.4718080000e+00  8.3793200000e-01  5.5138500000e-01 -1.7841340000e+00  1.6769500000e+00  2.7445500000e-01 -5.1826000000e-01  8.9415500000e-01 -2.6804500000e-01  1.3857800000e+00 -8.6736400000e-01  6.5972600000e-01  1.4365050000e+00 -1.0973640000e+00 -6.1074900000e-01  2.2588630000e+00 -1.0584440000e+00
-ENERGY -1.526566252416e+02
-FORCES -9.3800000000e-05  3.9925000000e-03  2.6408000000e-03 -1.2891000000e-03  1.4748000000e-03 -3.3653000000e-03  2.5628000000e-03 -6.2510000000e-03  1.7735000000e-03  1.1164000000e-03  4.7341000000e-03 -4.1059000000e-03 -4.0888000000e-03 -2.0350000000e-04  2.5552000000e-03  1.7925000000e-03 -3.7468000000e-03  5.0170000000e-04
-
-JOB 69
-COORDS  1.1138930000e+00  1.1807200000e+00  8.6758500000e-01  4.8017700000e-01  4.8106100000e-01  7.0911600000e-01  8.2393600000e-01  1.5866420000e+00  1.6845210000e+00 -1.0660750000e+00 -1.2004410000e+00 -8.4312600000e-01 -1.6479180000e+00 -5.0035700000e-01 -1.1390510000e+00 -4.3874800000e-01 -1.3093090000e+00 -1.5578570000e+00
-ENERGY -1.526582966980e+02
-FORCES -4.1040000000e-03 -2.7292000000e-03  2.5195000000e-03  4.3400000000e-03  5.7898000000e-03  1.7546000000e-03  9.0230000000e-04 -1.4038000000e-03 -3.1914000000e-03 -1.2005000000e-03  4.9900000000e-04 -6.7105000000e-03  2.9856000000e-03 -2.8545000000e-03  2.0682000000e-03 -2.9235000000e-03  6.9870000000e-04  3.5597000000e-03
-
-JOB 70
-COORDS  9.4449600000e-01  1.3083400000e-01  1.6453950000e+00  8.3621800000e-01  1.0906300000e-01  6.9458800000e-01  1.2069240000e+00 -7.5994600000e-01  1.8775070000e+00 -9.3061400000e-01 -9.2596000000e-02 -1.5389860000e+00 -1.3004440000e+00 -7.0696500000e-01 -2.1730270000e+00 -9.5198500000e-01  7.5420600000e-01 -1.9847450000e+00
-ENERGY -1.526572079259e+02
-FORCES -1.0172000000e-03 -4.0582000000e-03 -4.4230000000e-03  3.0086000000e-03  1.1096000000e-03  5.8186000000e-03 -6.6850000000e-04  3.2556000000e-03 -4.7400000000e-04 -3.3184000000e-03  7.0660000000e-04 -5.2574000000e-03  1.4861000000e-03  2.8334000000e-03  2.4474000000e-03  5.0950000000e-04 -3.8471000000e-03  1.8883000000e-03
-
-JOB 71
-COORDS  8.3574000000e-02  1.9289790000e+00  3.5449700000e-01  5.0039300000e-01  1.2941120000e+00  9.3711000000e-01 -7.2745000000e-02  1.4443690000e+00 -4.5602700000e-01 -1.4658200000e-01 -1.8262250000e+00 -3.0244400000e-01  3.6299000000e-02 -2.7641400000e+00 -2.4673600000e-01  4.6240200000e-01 -1.5019690000e+00 -9.6594200000e-01
-ENERGY -1.526551052149e+02
-FORCES -3.3890000000e-04 -5.9605000000e-03 -1.2190000000e-04 -6.3090000000e-04  3.8161000000e-03 -2.3864000000e-03  1.7259000000e-03  2.5561000000e-03  2.1616000000e-03  2.7400000000e-03 -4.6238000000e-03 -2.6811000000e-03 -6.6400000000e-04  4.0869000000e-03 -3.3210000000e-04 -2.8322000000e-03  1.2520000000e-04  3.3598000000e-03
-
-JOB 72
-COORDS  1.7516060000e+00  4.8697500000e-01 -8.4073800000e-01  2.3264990000e+00 -2.4790000000e-01 -6.2698900000e-01  1.2968090000e+00  6.8209500000e-01 -2.1396000000e-02 -1.8031060000e+00 -4.7471500000e-01  8.2932200000e-01 -1.0647290000e+00  1.3012600000e-01  9.0142200000e-01 -1.8023890000e+00 -7.4596100000e-01 -8.8642000000e-02
-ENERGY -1.526535636249e+02
-FORCES  2.4216000000e-03 -2.2653000000e-03  4.2388000000e-03 -2.6412000000e-03  3.3552000000e-03 -1.0711000000e-03 -3.2630000000e-04 -1.1409000000e-03 -3.4079000000e-03  2.2904000000e-03  1.3635000000e-03 -4.5777000000e-03 -1.3640000000e-03 -2.2171000000e-03  3.3480000000e-04 -3.8050000000e-04  9.0460000000e-04  4.4831000000e-03
-
-JOB 73
-COORDS  2.1570200000e-01  1.7510630000e+00 -1.0929230000e+00  5.9218700000e-01  8.9825000000e-01 -1.3101800000e+00 -6.4332700000e-01  1.5470190000e+00 -7.2323800000e-01 -1.8410700000e-01 -1.6885700000e+00  1.0247860000e+00 -8.1571800000e-01 -2.2789900000e+00  1.4355220000e+00  2.5156100000e-01 -1.2550630000e+00  1.7586100000e+00
-ENERGY -1.526564577343e+02
-FORCES -2.3066000000e-03 -5.6925000000e-03  7.4830000000e-04 -7.8770000000e-04  4.4598000000e-03  2.0960000000e-04  3.1430000000e-03  2.0627000000e-03 -1.5238000000e-03 -5.5440000000e-04 -1.5652000000e-03  5.4246000000e-03  2.6071000000e-03  2.6346000000e-03 -1.6062000000e-03 -2.1013000000e-03 -1.8995000000e-03 -3.2525000000e-03
-
-JOB 74
-COORDS  4.1320000000e-02  5.2919800000e-01  2.2181680000e+00 -8.6500200000e-01  2.2134000000e-01  2.2121790000e+00  5.0176400000e-01 -6.8698000000e-02  1.6293180000e+00  3.0677000000e-02 -4.3854700000e-01 -2.1930680000e+00 -8.0472300000e-01 -3.0756300000e-01 -1.7445340000e+00 -6.9110000000e-03 -1.3403090000e+00 -2.5118850000e+00
-ENERGY -1.526542688134e+02
-FORCES -1.0272000000e-03 -3.5600000000e-03 -2.5485000000e-03  3.4769000000e-03  1.2257000000e-03 -3.4110000000e-04 -2.5304000000e-03  2.2835000000e-03  3.1499000000e-03 -3.8552000000e-03 -2.6808000000e-03 -7.6440000000e-04  3.7430000000e-03 -1.0575000000e-03 -1.2375000000e-03  1.9290000000e-04  3.7892000000e-03  1.7416000000e-03
-
-JOB 75
-COORDS  1.2543070000e+00 -1.8399460000e+00 -4.2054100000e-01  8.3065400000e-01 -2.4002990000e+00  2.2965400000e-01  6.5971800000e-01 -1.8507700000e+00 -1.1705930000e+00 -1.1947330000e+00  1.9411550000e+00  4.1747000000e-01 -1.0539660000e+00  1.4012770000e+00  1.1952550000e+00 -1.3879710000e+00  1.3132900000e+00 -2.7871700000e-01
-ENERGY -1.526538251042e+02
-FORCES -3.2238000000e-03 -3.1070000000e-03 -8.4410000000e-04  1.4430000000e-03  2.8359000000e-03 -2.6205000000e-03  2.0093000000e-03  4.8420000000e-04  3.4694000000e-03  8.6500000000e-04 -5.0069000000e-03  3.5660000000e-04 -1.2573000000e-03  2.3180000000e-03 -2.9379000000e-03  1.6380000000e-04  2.4759000000e-03  2.5765000000e-03
-
-JOB 76
-COORDS -1.6279500000e-01  2.4905160000e+00  5.9376200000e-01 -7.4673200000e-01  2.1168420000e+00 -6.6251000000e-02 -3.5401000000e-02  1.7853220000e+00  1.2283520000e+00  1.4535200000e-01 -2.4620830000e+00 -6.3094800000e-01  2.3637500000e-01 -2.4764440000e+00  3.2180600000e-01  7.9828000000e-01 -1.8268410000e+00 -9.2485900000e-01
-ENERGY -1.526542089559e+02
-FORCES -2.5375000000e-03 -4.0728000000e-03 -5.0500000000e-05  2.7940000000e-03  1.5944000000e-03  2.7731000000e-03 -9.1600000000e-05  2.6318000000e-03 -2.6827000000e-03  3.6208000000e-03  1.6905000000e-03  2.3824000000e-03 -6.2610000000e-04  5.5760000000e-04 -3.8922000000e-03 -3.1596000000e-03 -2.4015000000e-03  1.4699000000e-03
-
-JOB 77
-COORDS  8.1710800000e-01  8.3612900000e-01 -2.2570450000e+00  1.3414240000e+00  9.2140300000e-01 -1.4607700000e+00  8.6440700000e-01 -9.4245000000e-02 -2.4770420000e+00 -8.3835400000e-01 -7.6511800000e-01  2.1680780000e+00 -1.6575410000e+00 -9.1435900000e-01  2.6401910000e+00 -1.5582300000e-01 -1.0498050000e+00  2.7758100000e+00
-ENERGY -1.526543143917e+02
-FORCES  1.6258000000e-03 -3.7060000000e-03  3.2534000000e-03 -1.4584000000e-03 -1.0850000000e-04 -3.6740000000e-03  1.0080000000e-04  3.7488000000e-03  4.2080000000e-04 -1.1766000000e-03 -1.6375000000e-03  4.5601000000e-03  3.4824000000e-03  4.9890000000e-04 -1.8164000000e-03 -2.5740000000e-03  1.2044000000e-03 -2.7438000000e-03
-
-JOB 78
-COORDS  4.8021300000e-01  2.6689400000e+00  9.2627000000e-02 -1.9584000000e-01  2.3765070000e+00 -5.1865600000e-01  1.0595020000e+00  3.2185540000e+00 -4.3518100000e-01 -4.9643900000e-01 -2.7464420000e+00 -3.8581000000e-02 -1.0220590000e+00 -1.9604950000e+00 -1.8772100000e-01  3.7440100000e-01 -2.4148030000e+00  1.8024300000e-01
-ENERGY -1.526543281413e+02
-FORCES -2.9800000000e-04  1.8650000000e-03 -4.6759000000e-03  2.8014000000e-03  5.8780000000e-04  2.6458000000e-03 -2.4337000000e-03 -2.3822000000e-03  2.1778000000e-03  1.5924000000e-03  4.6936000000e-03  7.6270000000e-04  1.9402000000e-03 -3.1562000000e-03  2.2960000000e-04 -3.6023000000e-03 -1.6080000000e-03 -1.1400000000e-03
-
-JOB 79
-COORDS -7.0022600000e-01 -2.7700650000e+00 -4.7943000000e-01 -2.0657000000e-01 -1.9882920000e+00 -2.3170400000e-01 -1.6012550000e+00 -2.5770380000e+00 -2.2035700000e-01  6.9575400000e-01  2.6530380000e+00  4.6691200000e-01  4.8191600000e-01  3.5222840000e+00  8.0590500000e-01  1.3933960000e+00  2.8086700000e+00 -1.6972500000e-01
-ENERGY -1.526549696900e+02
-FORCES -1.6034000000e-03  4.4382000000e-03  2.2376000000e-03 -1.9131000000e-03 -3.6718000000e-03 -1.2028000000e-03  3.4753000000e-03 -1.0341000000e-03 -1.0969000000e-03  2.0586000000e-03  4.5784000000e-03 -1.1447000000e-03  8.9510000000e-04 -3.5523000000e-03 -1.4262000000e-03 -2.9125000000e-03 -7.5840000000e-04  2.6330000000e-03
-
-JOB 80
-COORDS -6.1093400000e-01  1.4472140000e+00 -2.5552570000e+00  2.7177800000e-01  1.6565360000e+00 -2.8606030000e+00 -7.4205100000e-01  2.0128180000e+00 -1.7942500000e+00  5.5360900000e-01 -1.5446440000e+00  2.4873900000e+00 -5.5555000000e-02 -9.3951100000e-01  2.9104330000e+00  1.4197130000e+00 -1.2470270000e+00  2.7658160000e+00
-ENERGY -1.526536988648e+02
-FORCES  3.1687000000e-03  2.8178000000e-03  1.9920000000e-03 -3.6135000000e-03 -7.1260000000e-04  1.1924000000e-03  4.8370000000e-04 -2.1247000000e-03 -3.0895000000e-03  9.3260000000e-04  3.4970000000e-03  2.8136000000e-03  2.5615000000e-03 -2.3536000000e-03 -1.7266000000e-03 -3.5330000000e-03 -1.1240000000e-03 -1.1820000000e-03
-
-JOB 81
-COORDS  1.6709980000e+00  2.4425700000e+00  4.7523800000e-01  1.9758160000e+00  2.2946180000e+00  1.3704640000e+00  2.3835340000e+00  2.1209790000e+00 -7.7124000000e-02 -1.7562730000e+00 -2.4313990000e+00 -4.3208900000e-01 -8.9140700000e-01 -2.6648670000e+00 -7.6933000000e-01 -2.1701550000e+00 -1.9479130000e+00 -1.1470540000e+00
-ENERGY -1.526540374681e+02
-FORCES  4.0505000000e-03 -1.9145000000e-03  1.6927000000e-03 -1.1148000000e-03  6.7630000000e-04 -3.7401000000e-03 -2.9560000000e-03  1.2233000000e-03  2.1152000000e-03  1.8405000000e-03  1.4729000000e-03 -4.2546000000e-03 -3.4360000000e-03  7.5830000000e-04  1.3710000000e-03  1.6158000000e-03 -2.2163000000e-03  2.8158000000e-03
-
-JOB 82
-COORDS -1.3784030000e+00 -2.6310860000e+00  1.5642440000e+00 -2.0953770000e+00 -2.8700550000e+00  2.1516740000e+00 -9.3205000000e-01 -1.9115740000e+00  2.0106790000e+00  1.3881780000e+00  2.5454130000e+00 -1.5817650000e+00  9.0529700000e-01  3.3506190000e+00 -1.3954760000e+00  1.9016030000e+00  2.7489000000e+00 -2.3635710000e+00
-ENERGY -1.526540239468e+02
-FORCES -8.8780000000e-04  2.2043000000e-03  4.0335000000e-03  2.8689000000e-03  9.3520000000e-04 -2.3839000000e-03 -1.9759000000e-03 -3.1040000000e-03 -1.5914000000e-03  8.7200000000e-05  3.9915000000e-03 -2.6340000000e-03  1.9818000000e-03 -3.2729000000e-03 -6.5250000000e-04 -2.0742000000e-03 -7.5400000000e-04  3.2283000000e-03
-
-JOB 83
-COORDS  1.4939700000e-01  2.6624750000e+00 -2.3734810000e+00  5.4141600000e-01  1.8099950000e+00 -2.1841940000e+00 -5.2863700000e-01  2.4759510000e+00 -3.0228740000e+00 -1.4573100000e-01 -2.6595780000e+00  2.4302740000e+00 -5.9248600000e-01 -2.3243680000e+00  1.6529220000e+00  5.0302300000e-01 -1.9884740000e+00  2.6423310000e+00
-ENERGY -1.526539292771e+02
-FORCES -1.1164000000e-03 -4.0471000000e-03 -2.1935000000e-03 -1.6926000000e-03  3.3757000000e-03 -5.1310000000e-04  2.7849000000e-03  6.8950000000e-04  2.7698000000e-03  7.4970000000e-04  4.1644000000e-03 -2.0607000000e-03  1.9084000000e-03 -1.3866000000e-03  3.0034000000e-03 -2.6339000000e-03 -2.7959000000e-03 -1.0059000000e-03
-
-JOB 84
-COORDS  2.1022200000e-01  1.1318320000e+00 -3.4379810000e+00 -8.1229000000e-02  9.3745300000e-01 -2.5471920000e+00  7.8440400000e-01  4.0115000000e-01 -3.6674390000e+00 -1.8542900000e-01 -1.0752980000e+00  3.3503110000e+00 -9.1687100000e-01 -1.6864400000e+00  3.4382300000e+00 -1.8622100000e-01 -5.8058500000e-01  4.1697560000e+00
-ENERGY -1.526544678519e+02
-FORCES  1.2395000000e-03 -3.7934000000e-03  2.9529000000e-03  1.0816000000e-03  8.4220000000e-04 -3.8366000000e-03 -2.3399000000e-03  2.9588000000e-03  7.8400000000e-04 -2.9489000000e-03 -4.7810000000e-04  3.9439000000e-03  2.9893000000e-03  2.5124000000e-03 -4.6720000000e-04 -2.1500000000e-05 -2.0419000000e-03 -3.3770000000e-03
-
-JOB 85
-COORDS -7.9292900000e-01 -1.7403240000e+00 -3.3185140000e+00 -6.4470100000e-01 -1.4485070000e+00 -4.2180160000e+00  7.6605000000e-02 -1.9789380000e+00 -2.9972550000e+00  7.7125300000e-01  1.6839100000e+00  3.3301270000e+00  1.7665000000e-01  2.2453630000e+00  2.8326830000e+00  7.6463400000e-01  2.0509730000e+00  4.2141250000e+00
-ENERGY -1.526541686648e+02
-FORCES  4.2412000000e-03  1.7230000000e-04 -2.2176000000e-03 -6.4100000000e-04 -1.1596000000e-03  3.6398000000e-03 -3.5807000000e-03  9.6040000000e-04 -1.4417000000e-03 -2.5990000000e-03  3.7334000000e-03  1.5301000000e-03  2.5146000000e-03 -2.2219000000e-03  2.0806000000e-03  6.4900000000e-05 -1.4847000000e-03 -3.5912000000e-03
-
-JOB 86
-COORDS  6.1662300000e-01 -2.0940410000e+00  3.5271880000e+00  7.9392000000e-02 -1.3580820000e+00  3.2339670000e+00  1.5133710000e+00 -1.7599230000e+00  3.5062200000e+00 -6.1176600000e-01  1.9796340000e+00 -3.4709680000e+00 -1.4453360000e+00  1.9971700000e+00 -3.9411660000e+00 -2.1767800000e-01  2.8335400000e+00 -3.6492140000e+00
-ENERGY -1.526542161583e+02
-FORCES  1.4512000000e-03  4.3977000000e-03 -1.5269000000e-03  2.1680000000e-03 -3.0072000000e-03  1.3648000000e-03 -3.6115000000e-03 -1.3784000000e-03  1.9960000000e-04 -1.8221000000e-03  3.5068000000e-03 -2.7930000000e-03  3.4091000000e-03 -3.9000000000e-05  1.9570000000e-03 -1.5947000000e-03 -3.4800000000e-03  7.9850000000e-04
-
-JOB 87
-COORDS  5.1672000000e-01  3.0334470000e+00 -2.8247520000e+00  1.1245890000e+00  3.4121410000e+00 -2.1896790000e+00 -2.6470800000e-01  3.5831610000e+00 -2.7663070000e+00 -4.6297300000e-01 -3.0439240000e+00  2.7557120000e+00 -3.5565500000e-01 -3.9859780000e+00  2.8870480000e+00 -1.3344210000e+00 -2.8511310000e+00  3.1016040000e+00
-ENERGY -1.526539821494e+02
-FORCES -6.7990000000e-04  3.6402000000e-03  2.9777000000e-03 -2.4787000000e-03 -1.4423000000e-03 -2.6628000000e-03  3.1620000000e-03 -2.1998000000e-03 -2.8650000000e-04 -3.1239000000e-03 -3.0824000000e-03  1.8209000000e-03 -4.3670000000e-04  3.8466000000e-03 -4.9060000000e-04  3.5573000000e-03 -7.6230000000e-04 -1.3588000000e-03
-
-JOB 88
-COORDS  1.6286500000e-01  1.6998500000e-01 -4.2012140000e+00  1.9663400000e-01 -7.8605800000e-01 -4.2339660000e+00 -7.3098100000e-01  3.6914800000e-01 -3.9226360000e+00 -1.7498600000e-01 -1.4875100000e-01  4.1667700000e+00  1.0704000000e-02  4.8496200000e-01  4.8597050000e+00  6.8664400000e-01 -3.9947400000e-01  3.8336580000e+00
-ENERGY -1.526542121150e+02
-FORCES -3.5919000000e-03 -3.0797000000e-03  1.0686000000e-03 -8.4500000000e-05  3.8857000000e-03  1.0890000000e-04  3.6688000000e-03 -8.0600000000e-04 -1.2039000000e-03  4.3268000000e-03  1.6250000000e-03  1.4610000000e-03 -7.7370000000e-04 -2.5980000000e-03 -2.8087000000e-03 -3.5454000000e-03  9.7300000000e-04  1.3741000000e-03
-
-JOB 89
-COORDS -5.3216100000e-01  3.6831340000e+00  2.1551310000e+00 -7.8271700000e-01  3.5291110000e+00  3.0660270000e+00  4.1438400000e-01  3.8219920000e+00  2.1867850000e+00  4.3803500000e-01 -3.6520520000e+00 -2.1708640000e+00  4.6663700000e-01 -4.5035360000e+00 -2.6071990000e+00  1.3251040000e+00 -3.3047030000e+00 -2.2640800000e+00
-ENERGY -1.526539386361e+02
-FORCES  2.7905000000e-03 -1.9490000000e-04  3.8209000000e-03  1.0410000000e-03  6.9040000000e-04 -3.6948000000e-03 -3.8316000000e-03 -5.2310000000e-04 -1.3130000000e-04  3.6930000000e-03 -1.9646000000e-03 -2.1864000000e-03 -1.1080000000e-04  3.4584000000e-03  1.7961000000e-03 -3.5821000000e-03 -1.4662000000e-03  3.9550000000e-04
-
-JOB 0
-COORDS -1.9317000000e-02 -9.5229100000e-01  8.3146700000e-01 -9.7388100000e-01 -9.9926700000e-01  7.7823300000e-01  2.8814700000e-01 -1.4557620000e+00  7.7667000000e-02  3.3720000000e-03  9.9468200000e-01 -8.2563100000e-01  8.4544100000e-01  1.4471280000e+00 -7.7619600000e-01  4.6658000000e-02  3.3116700000e-01 -1.3707700000e-01
-ENERGY -1.526548444836e+02
-FORCES -2.6858000000e-03  7.0090000000e-03 -1.0364700000e-02  7.0346000000e-03  3.0991000000e-03 -1.9313000000e-03 -1.6875000000e-03  8.2701000000e-03  2.9604000000e-03  1.6960000000e-03 -1.5694700000e-02  1.9014500000e-02 -1.6201000000e-03 -3.2933000000e-03  9.9670000000e-04 -2.7372000000e-03  6.0980000000e-04 -1.0675500000e-02
-
-JOB 1
-COORDS  9.9358200000e-01 -7.7709300000e-01  2.5317400000e-01  1.3594100000e+00 -8.0078200000e-01  1.1373920000e+00  3.7264100000e-01 -4.8816000000e-02  2.6979300000e-01 -9.2862900000e-01  7.7369200000e-01 -2.6974900000e-01 -1.6175460000e+00  2.2508100000e-01  1.0528700000e-01 -1.0696830000e+00  7.2325400000e-01 -1.2151540000e+00
-ENERGY -1.526563229100e+02
-FORCES -1.5639300000e-02  1.5630200000e-02 -5.6496000000e-03 -4.4440000000e-03  2.5016000000e-03 -2.1515000000e-03  4.7137000000e-03 -7.4357000000e-03  5.0996000000e-03  1.0950300000e-02 -1.3172900000e-02 -1.1894000000e-03  5.4086000000e-03  2.3595000000e-03 -1.4032000000e-03 -9.8930000000e-04  1.1720000000e-04  5.2942000000e-03
-
-JOB 2
-COORDS -6.5527600000e-01  8.6652000000e-01 -8.0955900000e-01 -8.6140000000e-03  2.3484900000e-01 -4.9483400000e-01 -1.3841440000e+00  7.9085500000e-01 -1.9372000000e-01  6.8451200000e-01 -8.0122300000e-01  6.8382600000e-01  7.1804800000e-01 -3.1688100000e-01  1.5087630000e+00  2.3316900000e-01 -1.6165420000e+00  9.0240500000e-01
-ENERGY -1.526564815875e+02
-FORCES  8.8914000000e-03 -1.4921200000e-02  1.3148300000e-02 -2.0789000000e-03  5.3927000000e-03 -4.4627000000e-03  1.2473000000e-03  5.3670000000e-04 -7.8420000000e-04 -7.7840000000e-03  6.8767000000e-03 -3.5313000000e-03 -1.7287000000e-03 -3.1978000000e-03 -4.3390000000e-03  1.4529000000e-03  5.3129000000e-03 -3.1100000000e-05
-
-JOB 3
-COORDS -3.7169200000e-01 -2.5659100000e-01 -1.1625900000e+00 -1.2412230000e+00 -3.7489800000e-01 -1.5448880000e+00  9.3274000000e-02 -1.0675940000e+00 -1.3682910000e+00  3.8049200000e-01  3.1243600000e-01  1.2626780000e+00 -1.0208500000e-01 -1.4044400000e-01  5.7112100000e-01  1.1304880000e+00  7.0404500000e-01  8.1504000000e-01
-ENERGY -1.526561092874e+02
-FORCES  1.5424000000e-03  1.2302000000e-03  5.9364000000e-03  5.1163000000e-03 -2.6750000000e-04  2.8254000000e-03 -2.8879000000e-03  4.9633000000e-03  3.5871000000e-03 -5.1062000000e-03 -1.0890000000e-03 -2.0812800000e-02  1.5359000000e-03 -3.5387000000e-03  6.2860000000e-03 -2.0060000000e-04 -1.2983000000e-03  2.1779000000e-03
-
-JOB 4
-COORDS  7.9161200000e-01  7.1254000000e-01  8.7109800000e-01  2.4597500000e-01  9.9228600000e-01  1.6061180000e+00  1.7799100000e-01  3.1109200000e-01  2.5584100000e-01 -6.5917400000e-01 -6.8413000000e-01 -8.6001100000e-01 -1.3561480000e+00 -1.1950000000e-01 -1.1941550000e+00 -1.0594100000e+00 -1.5518260000e+00 -8.0392000000e-01
-ENERGY -1.526581222833e+02
-FORCES -9.4260000000e-03 -9.7520000000e-03 -8.8211000000e-03  2.1360000000e-04 -1.4902000000e-03 -3.1245000000e-03  2.1966000000e-03  8.6257000000e-03  3.8437000000e-03  2.4689000000e-03  9.3400000000e-05  5.5050000000e-03  4.2051000000e-03 -2.4905000000e-03  4.3073000000e-03  3.4180000000e-04  5.0136000000e-03 -1.7103000000e-03
-
-JOB 5
-COORDS -5.5570300000e-01 -1.1779300000e+00  1.9363100000e-01  8.7011000000e-02 -1.3928020000e+00  8.6963500000e-01 -4.5935800000e-01 -1.8720420000e+00 -4.5841100000e-01  5.7181800000e-01  1.2391760000e+00 -2.2157900000e-01  2.8893000000e-02  1.9152880000e+00  1.8380600000e-01  6.7614000000e-02  4.3220500000e-01 -1.1762400000e-01
-ENERGY -1.526607290400e+02
-FORCES  4.8679000000e-03  1.1258000000e-03 -1.7758000000e-03 -3.2959000000e-03  2.5537000000e-03 -4.8324000000e-03  1.8620000000e-04  3.0241000000e-03  4.2401000000e-03 -9.1251000000e-03 -1.2164600000e-02  1.2389000000e-03  9.1920000000e-04 -3.2174000000e-03 -5.2080000000e-04  6.4477000000e-03  8.6785000000e-03  1.6500000000e-03
-
-JOB 6
-COORDS  3.3478700000e-01  1.4490800000e-01  1.3385900000e+00  1.0728000000e-01  1.7370000000e-03  4.1990900000e-01 -8.2086000000e-02 -5.7972400000e-01  1.8048060000e+00 -2.6657400000e-01 -1.3404000000e-01 -1.2734900000e+00  8.6611000000e-02  7.2292500000e-01 -1.5124520000e+00 -1.1145920000e+00 -1.7584500000e-01 -1.7154730000e+00
-ENERGY -1.526596241109e+02
-FORCES -5.3793000000e-03 -5.3040000000e-03 -1.4156200000e-02  4.7871000000e-03  4.8477000000e-03  7.1782000000e-03  4.5220000000e-04  1.7988000000e-03 -1.7981000000e-03 -1.8584000000e-03  2.9435000000e-03  4.0772000000e-03 -2.7154000000e-03 -5.1323000000e-03  3.4629000000e-03  4.7140000000e-03  8.4630000000e-04  1.2359000000e-03
-
-JOB 7
-COORDS  6.9348800000e-01  7.2441600000e-01  8.2403800000e-01  1.5845800000e+00  1.0647990000e+00  9.0358000000e-01  2.7975800000e-01  9.3716300000e-01  1.6605770000e+00 -7.5150900000e-01 -8.0770000000e-01 -8.5075200000e-01 -6.5051900000e-01 -4.9758000000e-01 -1.7506730000e+00 -2.8499000000e-01 -1.6162200000e-01 -3.2049300000e-01
-ENERGY -1.526598782704e+02
-FORCES -1.3879000000e-03 -3.6983000000e-03 -2.8634000000e-03 -4.5401000000e-03 -5.8170000000e-04  1.4721000000e-03  3.1487000000e-03 -6.1140000000e-04 -4.1286000000e-03  8.5946000000e-03  8.9705000000e-03  6.6837000000e-03  7.6140000000e-04 -2.5110000000e-04  2.8855000000e-03 -6.5768000000e-03 -3.8281000000e-03 -4.0493000000e-03
-
-JOB 8
-COORDS  5.6561300000e-01  1.1583920000e+00 -8.0990000000e-02 -1.4433500000e-01  1.7827320000e+00 -2.3067700000e-01  1.3370830000e+00  1.7041990000e+00  7.1195000000e-02 -5.6509200000e-01 -1.2919320000e+00  9.3343000000e-02  8.4659000000e-02 -6.0070600000e-01  2.2086200000e-01 -1.3291320000e+00 -8.4000300000e-01 -2.6475800000e-01
-ENERGY -1.526578067930e+02
-FORCES -3.3969000000e-03 -2.1494000000e-03  2.1510000000e-04  3.7124000000e-03 -2.8016000000e-03  5.2480000000e-04 -4.4436000000e-03 -2.0604000000e-03 -8.9620000000e-04  4.9832000000e-03  1.4560100000e-02 -2.1868000000e-03 -1.7515000000e-03 -6.5544000000e-03  1.3963000000e-03  8.9630000000e-04 -9.9430000000e-04  9.4680000000e-04
-
-JOB 9
-COORDS  9.5549300000e-01 -7.2965700000e-01  5.6536200000e-01  1.4277660000e+00 -3.8616400000e-01  1.3237830000e+00  3.1649900000e-01 -1.3383470000e+00  9.3605900000e-01 -9.6233800000e-01  8.0100800000e-01 -6.6586300000e-01 -1.5491660000e+00  8.2182000000e-02 -4.3101200000e-01 -1.1745300000e-01  5.5360500000e-01 -2.9010700000e-01
-ENERGY -1.526576577671e+02
-FORCES -4.3809000000e-03 -2.2400000000e-04  2.3405000000e-03 -3.5081000000e-03 -1.1158000000e-03 -4.2545000000e-03  2.2307000000e-03  4.1078000000e-03 -2.1669000000e-03  1.0073100000e-02 -1.0393700000e-02  6.6855000000e-03  1.0059000000e-03  1.3154000000e-03 -3.5100000000e-05 -5.4207000000e-03  6.3103000000e-03 -2.5696000000e-03
-
-JOB 10
-COORDS  1.4700600000e-01  1.6846000000e-01 -1.3859940000e+00  1.0358100000e-01  1.4347200000e-01 -4.3010600000e-01 -7.2168900000e-01 -1.1288300000e-01 -1.6731290000e+00 -1.0604800000e-01 -1.4519500000e-01  1.2860860000e+00  5.4146400000e-01  2.7231100000e-01  1.8541070000e+00 -6.1919300000e-01 -6.9947700000e-01  1.8740370000e+00
-ENERGY -1.526593221252e+02
-FORCES -4.5484000000e-03 -3.0191000000e-03  1.4374500000e-02  3.0113000000e-03  3.1943000000e-03 -6.5694000000e-03  2.0641000000e-03  3.1120000000e-04  7.9800000000e-04  3.5100000000e-05 -1.2064000000e-03 -4.8945000000e-03 -3.7025000000e-03 -2.6895000000e-03 -2.6282000000e-03  3.1403000000e-03  3.4095000000e-03 -1.0804000000e-03
-
-JOB 11
-COORDS -1.9407700000e-01 -1.1563760000e+00 -6.1292200000e-01  3.8983500000e-01 -1.5293650000e+00 -1.2733450000e+00 -8.4183000000e-02 -1.7219260000e+00  1.5147800000e-01  2.1749400000e-01  1.2384190000e+00  6.1638300000e-01 -6.3816100000e-01  1.6201290000e+00  8.1230200000e-01  2.0838000000e-02  3.5340600000e-01  3.0928200000e-01
-ENERGY -1.526591680373e+02
-FORCES  4.6506000000e-03  2.0133000000e-03 -1.0343000000e-03 -3.3774000000e-03  2.5300000000e-05  3.9242000000e-03  3.7900000000e-05  6.3747000000e-03 -3.2066000000e-03 -4.1693000000e-03 -1.0921700000e-02 -8.3004000000e-03  2.1592000000e-03 -2.3431000000e-03 -7.2680000000e-04  6.9910000000e-04  4.8514000000e-03  9.3439000000e-03
-
-JOB 12
-COORDS  1.4097650000e+00  9.5854000000e-02 -6.6658000000e-02  1.5519790000e+00 -5.1544000000e-01  6.5606300000e-01  4.7514400000e-01  2.4762000000e-02 -2.6072700000e-01 -1.3375400000e+00 -1.0120100000e-01 -7.9990000000e-03 -1.7088430000e+00  7.5536300000e-01 -2.1934000000e-01 -1.4381300000e+00 -1.7890800000e-01  9.4072300000e-01
-ENERGY -1.526593862042e+02
-FORCES -1.4989300000e-02 -4.0530000000e-03  8.9740000000e-04 -9.6640000000e-04  2.0466000000e-03 -1.2065000000e-03  9.5728000000e-03  2.5737000000e-03 -2.4660000000e-04  2.0196000000e-03  3.6184000000e-03  4.1307000000e-03  2.9779000000e-03 -4.5516000000e-03  1.4258000000e-03  1.3854000000e-03  3.6590000000e-04 -5.0007000000e-03
-
-JOB 13
-COORDS  1.1203100000e+00 -4.4110500000e-01  7.5035600000e-01  3.0351000000e-01 -1.7253800000e-01  3.2971200000e-01  1.7626990000e+00 -4.5399600000e-01  4.0847000000e-02 -1.0560100000e+00  3.8953500000e-01 -6.5714100000e-01 -1.9521080000e+00  8.1791000000e-02 -7.9328100000e-01 -1.0627370000e+00  1.2940680000e+00 -9.7020000000e-01
-ENERGY -1.526605298826e+02
-FORCES -1.0363000000e-02  3.2696000000e-03 -9.2799000000e-03  7.0448000000e-03 -1.5857000000e-03  4.4065000000e-03 -1.7196000000e-03  6.8520000000e-04  1.7112000000e-03  1.9868000000e-03 -6.0180000000e-04  2.6752000000e-03  3.9419000000e-03  3.1740000000e-03 -3.3140000000e-04 -8.9090000000e-04 -4.9413000000e-03  8.1840000000e-04
-
-JOB 14
-COORDS -5.8003000000e-02  3.1810400000e-01  1.3809070000e+00  1.0378500000e-01 -1.2190500000e-01  5.4637200000e-01 -1.0117140000e+00  3.7012300000e-01  1.4438490000e+00  1.0707900000e-01 -3.4580900000e-01 -1.2911770000e+00  8.2327200000e-01  2.5182100000e-01 -1.5059710000e+00 -6.1366800000e-01 -6.9980000000e-02 -1.8574580000e+00
-ENERGY -1.526593827607e+02
-FORCES -3.2302000000e-03 -4.7740000000e-03 -1.3935000000e-02  3.2214000000e-03  2.7900000000e-03  8.2228000000e-03  2.2960000000e-03  2.8190000000e-04 -1.0870000000e-04 -1.9311000000e-03  5.9089000000e-03  1.5314000000e-03 -4.2245000000e-03 -3.2936000000e-03  2.0747000000e-03  3.8684000000e-03 -9.1300000000e-04  2.2148000000e-03
-
-JOB 15
-COORDS  3.7933800000e-01 -5.9878300000e-01  1.1239870000e+00  9.7929700000e-01 -1.3427240000e+00  1.0707700000e+00 -4.2437600000e-01 -9.6458900000e-01  1.4933950000e+00 -3.6494100000e-01  6.3119900000e-01 -1.2037040000e+00 -2.1009100000e-01  2.7449200000e-01 -3.2905300000e-01 -5.4053400000e-01  1.5605300000e+00 -1.0562460000e+00
-ENERGY -1.526605784606e+02
-FORCES  8.7560000000e-04 -2.9245000000e-03 -3.8887000000e-03 -3.8482000000e-03  2.9733000000e-03  1.7838000000e-03  3.9707000000e-03  2.6424000000e-03 -3.6282000000e-03  5.0183000000e-03 -4.1084000000e-03  1.2158400000e-02 -6.4953000000e-03  4.6320000000e-03 -7.4473000000e-03  4.7900000000e-04 -3.2148000000e-03  1.0221000000e-03
-
-JOB 16
-COORDS -7.8632800000e-01 -1.0951390000e+00  4.2395400000e-01 -1.6773150000e+00 -7.8051000000e-01  5.7687100000e-01 -3.0980300000e-01 -3.2508100000e-01  1.1384800000e-01  7.6563600000e-01  9.7886900000e-01 -3.8954300000e-01  1.6905940000e+00  1.1178600000e+00 -1.8615500000e-01  5.4821700000e-01  1.6769750000e+00 -1.0072870000e+00
-ENERGY -1.526603419948e+02
-FORCES  6.3928000000e-03  1.1321800000e-02 -3.4537000000e-03  2.8450000000e-03  2.7730000000e-04 -1.2309000000e-03 -5.9984000000e-03 -6.3378000000e-03  2.3954000000e-03 -7.9730000000e-04 -3.6771000000e-03  1.2446000000e-03 -4.3615000000e-03  1.2087000000e-03 -2.3686000000e-03  1.9194000000e-03 -2.7928000000e-03  3.4132000000e-03
-
-JOB 17
-COORDS  5.7839700000e-01  1.2517490000e+00  4.2295000000e-01  2.8383600000e-01  3.7419700000e-01  6.6660800000e-01  3.0290800000e-01  1.3530200000e+00 -4.8813800000e-01 -5.5927200000e-01 -1.1428330000e+00 -3.5604600000e-01  1.4081100000e-01 -1.3544690000e+00 -9.7356200000e-01 -1.0023560000e+00 -1.9769300000e+00 -2.0051000000e-01
-ENERGY -1.526586256000e+02
-FORCES -8.3926000000e-03 -9.9530000000e-03 -4.3400000000e-03  4.7899000000e-03  4.5666000000e-03  2.2316000000e-03  2.8410000000e-03  7.7960000000e-04  1.2634000000e-03  1.7901000000e-03 -1.0833000000e-03 -1.4104000000e-03 -3.8862000000e-03  1.7678000000e-03  3.3212000000e-03  2.8578000000e-03  3.9223000000e-03 -1.0659000000e-03
-
-JOB 18
-COORDS  3.2881700000e-01  1.3718020000e+00 -5.8395000000e-02 -3.0445000000e-02  4.9042300000e-01  4.3260000000e-02  1.9248200000e-01  1.7862700000e+00  7.9357900000e-01 -2.6556000000e-01 -1.2931410000e+00 -1.5752000000e-02  4.6231000000e-02 -2.0973770000e+00  3.9924500000e-01 -1.2134270000e+00 -1.4090240000e+00 -8.1720000000e-02
-ENERGY -1.526591509840e+02
-FORCES -1.6161000000e-03 -1.2278600000e-02  2.6039000000e-03 -2.8497000000e-03  9.2532000000e-03 -9.1740000000e-04 -1.9100000000e-05 -2.3900000000e-03 -2.2431000000e-03  2.3636000000e-03  4.7920000000e-04  1.4503000000e-03 -3.3502000000e-03  2.7828000000e-03 -2.3950000000e-03  5.4716000000e-03  2.1534000000e-03  1.5013000000e-03
-
-JOB 19
-COORDS  5.4603800000e-01  1.0195610000e+00 -8.4627200000e-01  1.6025800000e-01  6.0105000000e-01 -7.6691000000e-02  6.8200000000e-02  6.4663600000e-01 -1.5871020000e+00 -5.0453200000e-01 -9.1140200000e-01  8.7319200000e-01 -1.1813030000e+00 -1.5349880000e+00  6.0984400000e-01  3.1856000000e-01 -1.3295810000e+00  6.2045400000e-01
-ENERGY -1.526587775219e+02
-FORCES -9.4341000000e-03 -7.9359000000e-03  5.7834000000e-03  7.5894000000e-03  2.8876000000e-03 -3.5737000000e-03  2.0673000000e-03  6.9190000000e-04  1.3815000000e-03  7.2680000000e-04 -2.3409000000e-03 -4.3090000000e-03  4.1267000000e-03  2.3063000000e-03  6.3890000000e-04 -5.0761000000e-03  4.3910000000e-03  7.8900000000e-05
-
-JOB 20
-COORDS -8.6108700000e-01  8.4688200000e-01  5.6605000000e-01 -3.6595100000e-01  1.4881470000e+00  5.6293000000e-02 -1.1518040000e+00  1.3286670000e+00  1.3403870000e+00  8.2389100000e-01 -9.6020700000e-01 -6.2602500000e-01  1.6882740000e+00 -5.5419100000e-01 -6.9102000000e-01  4.3158200000e-01 -5.6606900000e-01  1.5306500000e-01
-ENERGY -1.526580466513e+02
-FORCES  7.7450000000e-04  2.8595000000e-03 -2.9471000000e-03 -9.1780000000e-04 -3.4824000000e-03  4.5777000000e-03  2.1846000000e-03 -2.1112000000e-03 -4.3294000000e-03 -4.8966000000e-03  5.5920000000e-03  7.0950000000e-03 -3.9923000000e-03  4.8820000000e-04  3.0960000000e-04  6.8476000000e-03 -3.3462000000e-03 -4.7057000000e-03
-
-JOB 21
-COORDS -5.4023000000e-01 -6.5996000000e-02  1.3209200000e+00 -1.1761200000e-01  2.3203000000e-02  4.6671300000e-01 -1.2293290000e+00 -7.1547500000e-01  1.1810910000e+00  4.9851300000e-01  9.2070000000e-02 -1.2262660000e+00  9.7277700000e-01  9.0511800000e-01 -1.4002140000e+00  1.0286860000e+00 -5.8846100000e-01 -1.6410260000e+00
-ENERGY -1.526609724597e+02
-FORCES  3.1238000000e-03 -1.1599000000e-03 -1.4059900000e-02 -2.7946000000e-03  1.3313000000e-03  9.1700000000e-03  2.1172000000e-03  1.2414000000e-03  3.2470000000e-04  1.8739000000e-03 -6.0190000000e-04  2.0585000000e-03 -1.9021000000e-03 -4.9878000000e-03  1.2056000000e-03 -2.4181000000e-03  4.1769000000e-03  1.3010000000e-03
-
-JOB 22
-COORDS  1.1975500000e+00  7.2521600000e-01 -2.6710100000e-01  2.5128100000e-01  5.9702300000e-01 -2.0097200000e-01  1.5220300000e+00  5.8050300000e-01  6.2172000000e-01 -1.1487910000e+00 -6.5098700000e-01  1.7450500000e-01 -1.4541520000e+00 -1.4976440000e+00 -1.5131500000e-01 -1.0936880000e+00 -7.6467800000e-01  1.1233300000e+00
-ENERGY -1.526569986863e+02
-FORCES -1.0667800000e-02 -7.6545000000e-03  3.3124000000e-03  5.5127000000e-03  5.8549000000e-03  1.2289000000e-03 -1.3570000000e-03  1.9460000000e-04 -2.0151000000e-03  4.7127000000e-03 -3.0159000000e-03 -1.0027000000e-03  6.7800000000e-04  3.2985000000e-03  3.1891000000e-03  1.1214000000e-03  1.3224000000e-03 -4.7126000000e-03
-
-JOB 23
-COORDS  1.7938200000e-01  4.0553200000e-01 -1.3642510000e+00  3.5550700000e-01  3.4004500000e-01 -4.2567600000e-01  2.2446000000e-02 -4.9678400000e-01 -1.6425090000e+00 -1.3289700000e-01 -3.1613800000e-01  1.2987130000e+00 -9.3007900000e-01  3.8454000000e-02  1.6924080000e+00 -2.0818200000e-01 -1.2631680000e+00  1.4157510000e+00
-ENERGY -1.526590102304e+02
-FORCES -1.7732000000e-03 -6.4429000000e-03  1.2876700000e-02  2.1581000000e-03  3.3349000000e-03 -7.5133000000e-03  3.4730000000e-04  2.0312000000e-03  1.4820000000e-04 -4.2224000000e-03 -6.8210000000e-04 -3.2180000000e-03  3.8524000000e-03 -2.7489000000e-03 -1.2516000000e-03 -3.6220000000e-04  4.5079000000e-03 -1.0419000000e-03
-
-JOB 24
-COORDS -5.1930000000e-03 -8.9150900000e-01 -1.1080480000e+00  9.0323400000e-01 -9.4025000000e-01 -1.4057330000e+00  2.5248000000e-02 -3.2650200000e-01 -3.3599100000e-01 -8.7601000000e-02  8.8596300000e-01  1.0407560000e+00 -2.4742900000e-01  2.8225300000e-01  1.7661670000e+00  8.4455400000e-01  1.0944160000e+00  1.1029470000e+00
-ENERGY -1.526588819112e+02
-FORCES  5.4030000000e-04  9.6883000000e-03  9.1244000000e-03 -2.4053000000e-03  1.2939000000e-03  2.4277000000e-03  3.3121000000e-03 -9.1250000000e-03 -6.2790000000e-03  1.7243000000e-03 -4.9180000000e-04  2.9806000000e-03  1.8396000000e-03  2.3053000000e-03 -5.8894000000e-03 -5.0111000000e-03 -3.6707000000e-03 -2.3643000000e-03
-
-JOB 25
-COORDS  1.2319000000e-01 -6.3389500000e-01 -1.2206090000e+00  1.5655300000e-01  1.6860100000e-01 -1.7412990000e+00 -7.9862800000e-01 -8.9132300000e-01 -1.2352510000e+00 -5.5681000000e-02  5.9992600000e-01  1.3230610000e+00  4.0324000000e-02 -5.5802000000e-02  6.3238400000e-01 -4.3921300000e-01  1.3582040000e+00  8.8243700000e-01
-ENERGY -1.526580262814e+02
-FORCES -2.3443000000e-03  3.9212000000e-03 -2.4577000000e-03 -1.3055000000e-03 -3.6866000000e-03  3.5190000000e-03  5.2938000000e-03  3.0292000000e-03  2.7425000000e-03  1.4482000000e-03 -3.9117000000e-03 -1.2886500000e-02 -3.8376000000e-03  2.5495000000e-03  8.2471000000e-03  7.4540000000e-04 -1.9016000000e-03  8.3560000000e-04
-
-JOB 26
-COORDS  1.8096000000e-01 -1.3013470000e+00  1.9831000000e-01 -4.4308900000e-01 -1.6779180000e+00  8.1878500000e-01  9.6686200000e-01 -1.8397290000e+00  2.9176500000e-01 -2.4698000000e-01  1.4002240000e+00 -2.3837000000e-01  6.6188500000e-01  1.6446710000e+00 -4.1284900000e-01 -2.2002300000e-01  4.5209100000e-01 -1.0972100000e-01
-ENERGY -1.526599024163e+02
-FORCES  1.6981000000e-03  2.1554000000e-03  1.3980000000e-03  3.6578000000e-03  2.1563000000e-03 -3.2238000000e-03 -4.3581000000e-03  1.4065000000e-03  4.3040000000e-04  5.8408000000e-03 -1.2757200000e-02  1.1541000000e-03 -2.1455000000e-03 -2.2480000000e-04  3.5020000000e-04 -4.6929000000e-03  7.2639000000e-03 -1.0880000000e-04
-
-JOB 27
-COORDS  8.1039400000e-01 -9.2022500000e-01 -5.0575400000e-01  4.7262100000e-01 -1.6870270000e+00 -9.6852300000e-01  1.7596610000e+00 -9.7127400000e-01 -6.1763900000e-01 -8.7435600000e-01  9.7398400000e-01  6.0153800000e-01 -8.8211800000e-01  1.6055080000e+00 -1.1773200000e-01 -3.6424800000e-01  2.3610300000e-01  2.6754200000e-01
-ENERGY -1.526606923155e+02
-FORCES  5.0080000000e-04  1.6668000000e-03  1.1400000000e-03  2.4535000000e-03  3.9598000000e-03  2.0255000000e-03 -4.6237000000e-03 -1.4221000000e-03 -1.0160000000e-03  8.5312000000e-03 -6.8946000000e-03 -7.1305000000e-03 -2.3600000000e-05 -1.5035000000e-03  1.8993000000e-03 -6.8382000000e-03  4.1935000000e-03  3.0817000000e-03
-
-JOB 28
-COORDS -1.0845540000e+00 -2.9951000000e-02  9.2202400000e-01 -1.1608860000e+00  8.0446400000e-01  1.3847970000e+00 -6.4926300000e-01  1.9118600000e-01  9.8706000000e-02  1.0284480000e+00  8.5870000000e-03 -9.3783900000e-01  1.5767890000e+00  2.2068700000e-01 -1.8247900000e-01  1.0845300000e+00 -9.4382900000e-01 -1.0152330000e+00
-ENERGY -1.526600917697e+02
-FORCES  6.1364000000e-03  3.3865000000e-03 -8.2660000000e-03  1.9313000000e-03 -2.6140000000e-03 -2.0026000000e-03 -6.3160000000e-03 -7.0800000000e-04  7.7950000000e-03  2.3313000000e-03 -5.0028000000e-03  5.8188000000e-03 -3.4957000000e-03 -1.3390000000e-04 -3.7219000000e-03 -5.8740000000e-04  5.0722000000e-03  3.7670000000e-04
-
-JOB 29
-COORDS  2.0715500000e-01 -5.3219300000e-01 -1.3258060000e+00 -1.1765600000e-01 -1.9508000000e-01 -4.9089100000e-01  8.5658800000e-01 -1.1917520000e+00 -1.0819820000e+00 -2.5522200000e-01  5.3551600000e-01  1.2094080000e+00  3.7460500000e-01  1.2281380000e+00  1.4089680000e+00 -3.2413200000e-01  3.2685000000e-02  2.0209770000e+00
-ENERGY -1.526606963186e+02
-FORCES -8.4410000000e-04  2.7615000000e-03  1.3008300000e-02  1.0522000000e-03 -2.9502000000e-03 -8.8646000000e-03 -1.5837000000e-03  1.6771000000e-03 -5.9020000000e-04  2.9957000000e-03 -2.4210000000e-04 -1.1990000000e-04 -3.1161000000e-03 -4.0986000000e-03  2.8230000000e-04  1.4961000000e-03  2.8524000000e-03 -3.7159000000e-03
-
-JOB 30
-COORDS -7.0351800000e-01  8.6876900000e-01  8.9050500000e-01 -8.9951100000e-01  4.0943000000e-01  1.7071000000e+00 -3.5835100000e-01  1.9017700000e-01  3.1032900000e-01  6.3506400000e-01 -8.2379400000e-01 -9.0540900000e-01  1.3424110000e+00 -1.1052650000e+00 -3.2518000000e-01  1.0367930000e+00 -1.6446800000e-01 -1.4712140000e+00
-ENERGY -1.526608364332e+02
-FORCES  3.6804000000e-03 -9.4870000000e-03 -7.0049000000e-03  1.8367000000e-03  3.1790000000e-04 -3.0163000000e-03 -3.1672000000e-03  7.1801000000e-03  8.4162000000e-03  4.6581000000e-03  3.2237000000e-03 -3.1990000000e-04 -4.9458000000e-03  2.3946000000e-03 -1.8472000000e-03 -2.0622000000e-03 -3.6293000000e-03  3.7722000000e-03
-
-JOB 31
-COORDS -3.1292900000e-01 -6.7818000000e-02  1.3168430000e+00  2.0445700000e-01 -8.7312300000e-01  1.3221380000e+00 -1.0824900000e-01  3.5442200000e-01  2.1511400000e+00  2.9509100000e-01  3.6503000000e-02 -1.4029830000e+00  1.0851000000e-01  9.3437700000e-01 -1.6772880000e+00  5.7099000000e-02  1.4369000000e-02 -4.7610500000e-01
-ENERGY -1.526593078422e+02
-FORCES  3.5149000000e-03  7.7230000000e-04  9.2020000000e-04 -2.5437000000e-03  6.2710000000e-03 -2.9685000000e-03 -9.8810000000e-04 -3.3323000000e-03 -3.1382000000e-03 -4.4125000000e-03  4.7375000000e-03  1.0861900000e-02  7.2090000000e-04 -2.3016000000e-03  5.9630000000e-04  3.7086000000e-03 -6.1469000000e-03 -6.2717000000e-03
-
-JOB 32
-COORDS -2.4159000000e-01 -1.2289260000e+00  7.1473200000e-01  5.4989000000e-02 -3.8640200000e-01  3.7060200000e-01 -1.0366840000e+00 -1.0212150000e+00  1.2055620000e+00  2.7946800000e-01  1.0962700000e+00 -7.1286900000e-01 -5.2117600000e-01  1.6093030000e+00 -6.0333500000e-01  9.3906000000e-01  1.7354240000e+00 -9.8241300000e-01
-ENERGY -1.526593165662e+02
-FORCES  1.9934000000e-03  1.0136100000e-02 -4.9354000000e-03 -4.1762000000e-03 -6.5293000000e-03  5.5823000000e-03  2.1865000000e-03  6.5510000000e-04 -2.2869000000e-03  7.6300000000e-05  7.3930000000e-04  1.7060000000e-04  4.3996000000e-03 -2.9431000000e-03  7.4770000000e-04 -4.4798000000e-03 -2.0582000000e-03  7.2180000000e-04
-
-JOB 33
-COORDS -6.4577600000e-01  1.2097960000e+00  8.0915000000e-02 -1.5012480000e+00  8.1731600000e-01 -9.3321000000e-02 -7.0357900000e-01  1.5198800000e+00  9.8465100000e-01  7.6328700000e-01 -1.2103520000e+00 -1.2186600000e-01  1.1508100000e-01 -1.8939660000e+00 -2.9137400000e-01  2.4534700000e-01 -4.1702100000e-01  1.4504000000e-02
-ENERGY -1.526590342618e+02
-FORCES -2.6171000000e-03  9.8930000000e-04  2.4300000000e-03  6.6531000000e-03 -9.3820000000e-04  1.6433000000e-03  1.0000000000e-07 -2.7475000000e-03 -5.0790000000e-03 -6.6317000000e-03  1.0394100000e-02  2.3420000000e-04  6.3670000000e-04  3.6223000000e-03  6.6520000000e-04  1.9589000000e-03 -1.1320000000e-02  1.0620000000e-04
-
-JOB 34
-COORDS  1.4144000000e-01  8.7376100000e-01 -1.0973260000e+00 -4.4381000000e-01  5.4143900000e-01 -4.1668100000e-01 -4.4069200000e-01  1.2950680000e+00 -1.7296660000e+00 -7.5406000000e-02 -8.3083100000e-01  1.0440200000e+00 -6.4078800000e-01 -8.4060000000e-01  1.8163410000e+00  4.4489300000e-01 -1.6309210000e+00  1.1173510000e+00
-ENERGY -1.526576436838e+02
-FORCES -2.4765000000e-03 -4.8956000000e-03  6.0712000000e-03 -1.5483000000e-03  6.4205000000e-03 -5.7740000000e-03  1.1771000000e-03 -2.4106000000e-03  3.5182000000e-03  3.8490000000e-03 -2.8591000000e-03 -8.7220000000e-04  2.0240000000e-03  7.7940000000e-04 -4.6177000000e-03 -3.0255000000e-03  2.9655000000e-03  1.6745000000e-03
-
-JOB 35
-COORDS  1.6181600000e-01  1.3883320000e+00 -3.1826100000e-01 -5.1601000000e-02  5.3738400000e-01  6.4588000000e-02  1.0126400000e-01  2.0026180000e+00  4.1332500000e-01 -8.7380000000e-02 -1.3348860000e+00  2.5216800000e-01 -6.1513100000e-01 -1.6307690000e+00 -4.8956100000e-01 -5.1576900000e-01 -1.7159160000e+00  1.0186740000e+00
-ENERGY -1.526606185271e+02
-FORCES -2.7220000000e-04 -1.0324900000e-02  4.8964000000e-03 -1.3101000000e-03  1.0819100000e-02 -2.6544000000e-03 -1.5840000000e-04 -3.2144000000e-03 -1.3772000000e-03 -2.2666000000e-03 -2.0813000000e-03 -1.6850000000e-03  2.2681000000e-03  2.0885000000e-03  4.9043000000e-03  1.7392000000e-03  2.7130000000e-03 -4.0841000000e-03
-
-JOB 36
-COORDS -3.4781000000e-02  3.7313500000e-01  1.4162680000e+00  1.4630200000e-01  2.5886500000e-01  4.8332500000e-01 -6.4920200000e-01 -3.2925400000e-01  1.6292680000e+00  5.4430000000e-02 -3.8362800000e-01 -1.3339740000e+00  7.7477400000e-01 -1.0965400000e-01 -1.9016660000e+00 -5.6477800000e-01  3.4573400000e-01 -1.3630380000e+00
-ENERGY -1.526588490389e+02
-FORCES  7.7370000000e-04 -7.9830000000e-03 -9.7059000000e-03 -3.5634000000e-03  7.3684000000e-03  5.3143000000e-03  1.1446000000e-03  2.8664000000e-03 -2.5730000000e-04  1.6920000000e-04  2.2403000000e-03 -3.5166000000e-03 -4.0845000000e-03 -6.4330000000e-04  3.5234000000e-03  5.5603000000e-03 -3.8488000000e-03  4.6421000000e-03
-
-JOB 37
-COORDS -9.2398900000e-01 -1.1183840000e+00 -1.5229700000e-01 -3.3170400000e-01 -3.6651800000e-01 -1.6361000000e-01 -4.2199700000e-01 -1.8129410000e+00  2.7411400000e-01  8.1042400000e-01  1.0918500000e+00  8.4453000000e-02  7.5051300000e-01  1.2820040000e+00  1.0206600000e+00  1.7199920000e+00  1.2857470000e+00 -1.4209200000e-01
-ENERGY -1.526608627138e+02
-FORCES  9.3992000000e-03  7.0861000000e-03  4.1680000000e-04 -7.0308000000e-03 -6.8151000000e-03  1.5550000000e-03 -1.2338000000e-03  2.3051000000e-03 -7.8250000000e-04  1.9613000000e-03 -2.0250000000e-04  1.2412000000e-03  1.0111000000e-03 -2.0266000000e-03 -5.0624000000e-03 -4.1071000000e-03 -3.4700000000e-04  2.6319000000e-03
-
-JOB 38
-COORDS  4.1134900000e-01 -1.2653910000e+00 -3.5789700000e-01  1.3657720000e+00 -1.2993790000e+00 -2.9345600000e-01  1.0813700000e-01 -1.9938770000e+00  1.8395400000e-01 -4.3473000000e-01  1.3680820000e+00  3.1998000000e-01  6.1276000000e-02  6.4173400000e-01 -5.7681000000e-02 -1.1655960000e+00  9.4900900000e-01  7.7434200000e-01
-ENERGY -1.526589867073e+02
-FORCES  1.0780000000e-04 -1.8839000000e-03  3.9329000000e-03 -5.4891000000e-03  1.7657000000e-03  1.8910000000e-04  1.9475000000e-03  3.1762000000e-03 -2.6595000000e-03  3.3370000000e-04 -1.3558100000e-02 -2.0737000000e-03  1.9425000000e-03  8.3779000000e-03  8.5100000000e-04  1.1576000000e-03  2.1222000000e-03 -2.3970000000e-04
-
-JOB 39
-COORDS -9.3976900000e-01 -8.2954700000e-01  7.2590400000e-01 -1.7082800000e+00 -3.4389300000e-01  1.0255080000e+00 -3.5128400000e-01 -1.5825300000e-01  3.8053300000e-01  9.0486800000e-01  7.2070100000e-01 -7.3251000000e-01  1.6753070000e+00  6.4921200000e-01 -1.6899800000e-01  9.9131700000e-01  1.5778990000e+00 -1.1496070000e+00
-ENERGY -1.526599740890e+02
-FORCES  4.0392000000e-03  7.9710000000e-03 -6.0767000000e-03  2.6658000000e-03 -8.1350000000e-04 -1.3419000000e-03 -3.1943000000e-03 -5.6954000000e-03  7.9092000000e-03  1.5790000000e-03  1.9902000000e-03 -7.4880000000e-04 -5.8137000000e-03  6.8040000000e-04 -1.9862000000e-03  7.2410000000e-04 -4.1326000000e-03  2.2445000000e-03
-
-JOB 40
-COORDS  3.6996000000e-01  9.2573900000e-01 -9.8348500000e-01  6.5958000000e-01  1.6614890000e+00 -4.4401800000e-01 -4.9972600000e-01  1.1813240000e+00 -1.2909810000e+00 -3.5537500000e-01 -1.0564850000e+00  9.7666500000e-01 -4.7252000000e-02 -4.3781000000e-01  1.6388840000e+00 -4.1071000000e-01 -5.3978800000e-01  1.7280300000e-01
-ENERGY -1.526570879522e+02
-FORCES  3.6540000000e-04  4.5730000000e-03  1.6670000000e-03 -2.1409000000e-03 -4.0003000000e-03 -2.0958000000e-03  3.9027000000e-03 -3.9864000000e-03  4.1747000000e-03  5.5448000000e-03  9.7232000000e-03 -6.6024000000e-03 -1.1478000000e-03 -1.7105000000e-03 -9.9600000000e-04 -6.5242000000e-03 -4.5989000000e-03  3.8525000000e-03
-
-JOB 41
-COORDS  1.0966100000e+00 -6.1097700000e-01  5.3963800000e-01  1.4295160000e+00 -1.5010890000e+00  4.2515500000e-01  1.8793510000e+00 -6.0025000000e-02  5.3863700000e-01 -1.2216500000e+00  5.9731700000e-01 -5.4090900000e-01 -1.0331470000e+00  1.5285550000e+00 -6.5707000000e-01 -3.8007300000e-01  2.1039700000e-01 -2.9951300000e-01
-ENERGY -1.526604659840e+02
-FORCES  1.7394000000e-03 -1.8291000000e-03 -7.0400000000e-04 -3.1420000000e-04  4.8562000000e-03  1.0152000000e-03 -4.2999000000e-03 -2.6304000000e-03 -7.1070000000e-04  9.5941000000e-03 -3.2375000000e-03  4.3396000000e-03  6.2860000000e-04 -2.9777000000e-03  6.9330000000e-04 -7.3480000000e-03  5.8184000000e-03 -4.6334000000e-03
-
-JOB 42
-COORDS -1.0878410000e+00  8.2088700000e-01  2.0728900000e-01 -2.0114700000e+00  9.0348400000e-01  4.4460600000e-01 -1.0036340000e+00  1.3184050000e+00 -6.0611000000e-01  1.1673370000e+00 -8.9187800000e-01 -1.3281100000e-01  1.3942600000e+00 -6.8802400000e-01 -1.0401040000e+00  3.5396100000e-01 -4.1244800000e-01  2.4664000000e-02
-ENERGY -1.526596408584e+02
-FORCES -2.7178000000e-03  5.9660000000e-04 -7.3090000000e-04  4.1842000000e-03  1.1682000000e-03 -2.1134000000e-03  1.5380000000e-04 -3.9793000000e-03  3.6324000000e-03 -8.3498000000e-03  5.7023000000e-03  1.4970000000e-04 -1.4340000000e-03  3.8580000000e-04  2.6560000000e-03  8.1635000000e-03 -3.8735000000e-03 -3.5938000000e-03
-
-JOB 43
-COORDS -1.3604300000e-01 -6.7666600000e-01 -1.2954720000e+00  9.0460000000e-03 -2.2834500000e-01 -4.6229200000e-01  6.1447300000e-01 -4.2865100000e-01 -1.8353290000e+00  9.6316000000e-02  6.6503500000e-01  1.2207910000e+00  4.9973500000e-01  8.1279100000e-01  2.0761580000e+00 -5.6521500000e-01 -8.0910000000e-03  1.3805070000e+00
-ENERGY -1.526586099285e+02
-FORCES  5.6591000000e-03  6.8324000000e-03  5.2373000000e-03 -6.4764000000e-03 -6.2191000000e-03 -2.0821000000e-03 -2.1978000000e-03 -1.0396000000e-03  1.2472000000e-03  4.0300000000e-04 -1.7644000000e-03  3.7483000000e-03 -3.1409000000e-03 -6.6330000000e-04 -3.1861000000e-03  5.7530000000e-03  2.8540000000e-03 -4.9647000000e-03
-
-JOB 44
-COORDS -5.2688700000e-01  2.1015400000e-01 -1.3399130000e+00 -1.9494400000e-01 -2.0092600000e-01 -5.4175300000e-01 -6.5639300000e-01 -5.1723400000e-01 -1.9484900000e+00  5.4805900000e-01 -1.6276000000e-01  1.2766190000e+00  7.6874800000e-01  5.9585300000e-01  1.8170210000e+00 -2.3102500000e-01 -5.3392700000e-01  1.6907390000e+00
-ENERGY -1.526597640072e+02
-FORCES  5.0949000000e-03 -2.4300000000e-03  6.8171000000e-03 -6.9071000000e-03 -1.8809000000e-03 -7.9245000000e-03  7.4150000000e-04  1.6720000000e-03  3.5998000000e-03 -1.0900000000e-03  5.4058000000e-03  2.7656000000e-03 -1.2708000000e-03 -4.4906000000e-03 -7.4910000000e-04  3.4315000000e-03  1.7237000000e-03 -4.5089000000e-03
-
-JOB 45
-COORDS  8.5673600000e-01 -1.0137540000e+00 -3.9022100000e-01  5.0339600000e-01 -1.8835510000e+00 -5.7686200000e-01  1.6001800000e+00 -1.1762520000e+00  1.9039700000e-01 -8.7711500000e-01  1.1425370000e+00  3.5683600000e-01 -2.4933900000e-01  4.6543500000e-01  1.0452500000e-01 -1.5833430000e+00  6.6488400000e-01  7.9194600000e-01
-ENERGY -1.526611626838e+02
-FORCES  3.3560000000e-04 -3.0218000000e-03  1.1500000000e-03  2.3123000000e-03  3.8442000000e-03  1.7791000000e-03 -4.2997000000e-03  1.8750000000e-04 -2.8359000000e-03  4.9497000000e-03 -1.0150200000e-02 -2.1576000000e-03 -5.2454000000e-03  8.0907000000e-03  3.3810000000e-03  1.9474000000e-03  1.0495000000e-03 -1.3167000000e-03
-
-JOB 46
-COORDS  5.2595400000e-01  9.6028300000e-01  8.5333700000e-01  8.6327700000e-01  1.6341820000e+00  2.6316300000e-01  3.4401100000e-01  1.4255370000e+00  1.6698340000e+00 -5.9114500000e-01 -1.0445870000e+00 -8.9944300000e-01  2.5380400000e-01 -1.4900180000e+00 -8.3711600000e-01 -4.8440900000e-01 -2.5266500000e-01 -3.7247100000e-01
-ENERGY -1.526606208903e+02
-FORCES  4.0950000000e-04  3.2466000000e-03  1.9534000000e-03 -2.5815000000e-03 -3.9806000000e-03  2.7884000000e-03  1.6869000000e-03 -1.3633000000e-03 -4.2921000000e-03  6.1411000000e-03  5.1891000000e-03  8.2862000000e-03 -2.4616000000e-03  5.5030000000e-04 -1.4623000000e-03 -3.1943000000e-03 -3.6420000000e-03 -7.2736000000e-03
-
-JOB 47
-COORDS -1.2488830000e+00 -3.7485200000e-01  4.9432900000e-01 -1.2409050000e+00 -3.3217900000e-01  1.4505440000e+00 -2.0387480000e+00  1.0196900000e-01  2.3940500000e-01  1.3527110000e+00  3.2238800000e-01 -5.0723000000e-01  4.5175300000e-01  1.9116100000e-01 -2.1179000000e-01  1.2699490000e+00  8.4436500000e-01 -1.3053050000e+00
-ENERGY -1.526612525523e+02
-FORCES -2.6051000000e-03  1.1461000000e-03  3.0213000000e-03 -4.4860000000e-04  4.0530000000e-04 -5.3110000000e-03  4.2403000000e-03 -1.9997000000e-03  1.5102000000e-03 -1.0439500000e-02 -1.8215000000e-03  1.1502000000e-03  9.9750000000e-03  3.7544000000e-03 -2.9070000000e-03 -7.2220000000e-04 -1.4845000000e-03  2.5362000000e-03
-
-JOB 48
-COORDS  1.1056900000e+00 -1.0052020000e+00  5.7530000000e-03  4.7798100000e-01 -2.8358000000e-01  4.4147000000e-02  5.7362800000e-01 -1.7924930000e+00  1.2113800000e-01 -9.8314200000e-01  1.0018180000e+00  1.9796000000e-02 -1.0960450000e+00  1.3802670000e+00 -8.5213400000e-01 -1.8596280000e+00  7.0945500000e-01  2.6985100000e-01
-ENERGY -1.526610960992e+02
-FORCES -9.6533000000e-03  5.7051000000e-03  1.0732000000e-03  7.8024000000e-03 -6.7474000000e-03 -1.0715000000e-03  1.2334000000e-03  2.2219000000e-03 -3.0920000000e-04 -3.6676000000e-03  1.7400000000e-05 -2.3092000000e-03  9.1100000000e-05 -2.4346000000e-03  4.6074000000e-03  4.1941000000e-03  1.2375000000e-03 -1.9907000000e-03
-
-JOB 49
-COORDS  5.3543800000e-01  1.1745680000e+00  7.4687600000e-01  1.4828070000e+00  1.0442740000e+00  7.8866400000e-01  1.9018900000e-01  3.3234800000e-01  4.5073500000e-01 -5.1492500000e-01 -1.0860960000e+00 -7.0959000000e-01 -9.9450000000e-01 -1.8009010000e+00 -2.9090900000e-01 -1.0047880000e+00 -9.0606100000e-01 -1.5119940000e+00
-ENERGY -1.526615496325e+02
-FORCES -9.4150000000e-04 -8.6968000000e-03 -5.2640000000e-03 -2.9072000000e-03  1.1240000000e-04 -1.8070000000e-04  3.5104000000e-03  6.9527000000e-03  6.6283000000e-03 -3.5764000000e-03  3.0150000000e-04 -2.9236000000e-03  2.2150000000e-03  3.9015000000e-03 -2.0500000000e-03  1.6998000000e-03 -2.5713000000e-03  3.7900000000e-03
-
-JOB 50
-COORDS  3.0458700000e-01  1.3608840000e+00 -5.4969200000e-01  8.5305000000e-02  4.5040100000e-01 -3.5178300000e-01  8.1571400000e-01  1.6540540000e+00  2.0465000000e-01 -2.7325900000e-01 -1.2897300000e+00  4.6668000000e-01 -9.7208200000e-01 -1.0048750000e+00  1.0555230000e+00 -3.9997000000e-01 -2.2348430000e+00  3.8339100000e-01
-ENERGY -1.526606436518e+02
-FORCES  1.5494000000e-03 -8.8235000000e-03  3.8992000000e-03 -9.4700000000e-04  9.2019000000e-03 -5.5420000000e-04 -2.1834000000e-03 -5.7000000000e-04 -1.9247000000e-03 -2.1769000000e-03 -3.2209000000e-03  2.2740000000e-04  4.1618000000e-03 -7.8890000000e-04 -3.6526000000e-03 -4.0400000000e-04  4.2016000000e-03  2.0049000000e-03
-
-JOB 51
-COORDS  3.7459900000e-01  5.3471700000e-01  1.3358740000e+00  8.7804000000e-02  1.9663200000e-01  4.8753600000e-01  7.1309700000e-01 -2.3223100000e-01  1.7978710000e+00 -3.1013800000e-01 -4.7116200000e-01 -1.3016970000e+00 -9.2961100000e-01  2.2183200000e-01 -1.5302660000e+00 -8.2805600000e-01 -1.2755750000e+00 -1.3318930000e+00
-ENERGY -1.526608061938e+02
-FORCES -1.9000000000e-04 -6.9312000000e-03 -8.9960000000e-03 -3.3300000000e-04  5.6020000000e-03  9.1412000000e-03 -1.3792000000e-03  1.9584000000e-03 -1.3294000000e-03 -4.2164000000e-03 -1.0575000000e-03 -2.7549000000e-03  3.5603000000e-03 -3.9494000000e-03  3.3482000000e-03  2.5583000000e-03  4.3778000000e-03  5.9090000000e-04
-
-JOB 52
-COORDS  1.3922130000e+00  4.4837400000e-01  2.2123700000e-01  1.5222130000e+00  1.2380870000e+00  7.4629500000e-01  4.5137000000e-01  2.7932700000e-01  2.7093100000e-01 -1.3001280000e+00 -4.4795300000e-01 -2.9770100000e-01 -1.2581810000e+00 -1.3803270000e+00 -8.5215000000e-02 -2.0657860000e+00 -1.2738500000e-01  1.7899200000e-01
-ENERGY -1.526606219208e+02
-FORCES -9.3461000000e-03 -2.8270000000e-04 -1.0557000000e-03 -1.7836000000e-03 -2.5850000000e-03 -1.5659000000e-03  1.0122600000e-02  2.5454000000e-03  4.0916000000e-03 -3.3490000000e-03 -3.7744000000e-03  4.9910000000e-04 -3.0400000000e-04  5.5606000000e-03 -2.6170000000e-04  4.6599000000e-03 -1.4640000000e-03 -1.7074000000e-03
-
-JOB 53
-COORDS -7.7199100000e-01  1.1223710000e+00  3.6174900000e-01 -9.1951600000e-01  1.3170510000e+00  1.2872580000e+00 -1.6324660000e+00  1.2241240000e+00 -4.5019000000e-02  8.8613300000e-01 -1.1300510000e+00 -4.3589800000e-01  6.5757100000e-01 -1.9355860000e+00  2.7895000000e-02  2.1601500000e-01 -5.0092300000e-01 -1.6874300000e-01
-ENERGY -1.526610638301e+02
-FORCES -2.8328000000e-03  2.6381000000e-03  2.3423000000e-03 -2.6180000000e-04 -1.1225000000e-03 -4.7748000000e-03  4.2577000000e-03 -1.1309000000e-03  2.7086000000e-03 -6.1816000000e-03  5.7786000000e-03  3.9370000000e-03  1.1130000000e-04  3.1001000000e-03 -9.5730000000e-04  4.9071000000e-03 -9.2634000000e-03 -3.2558000000e-03
-
-JOB 54
-COORDS -5.0007800000e-01  1.2918710000e+00  2.7438800000e-01 -5.3796100000e-01  1.9767850000e+00  9.4198800000e-01 -4.5188300000e-01  1.7674670000e+00 -5.5490000000e-01  5.1463900000e-01 -1.4008090000e+00 -2.1636600000e-01  7.6517800000e-01 -1.4400290000e+00 -1.1393630000e+00 -2.8250000000e-03 -5.9897600000e-01 -1.4201800000e-01
-ENERGY -1.526593850358e+02
-FORCES  1.4128000000e-03  3.5459000000e-03  2.1726000000e-03 -1.0360000000e-04 -1.5158000000e-03 -4.2213000000e-03  4.1000000000e-05 -3.2543000000e-03  3.6542000000e-03 -2.7116000000e-03  8.1308000000e-03  1.3180000000e-04 -1.1010000000e-03  1.1550000000e-03  2.8028000000e-03  2.4623000000e-03 -8.0616000000e-03 -4.5402000000e-03
-
-JOB 55
-COORDS -1.1861000000e-01 -1.2993830000e+00  5.6267900000e-01  5.7079000000e-02 -1.2344870000e+00  1.5013770000e+00 -8.6994900000e-01 -1.8890520000e+00  4.9935000000e-01  1.8070400000e-01  1.3834040000e+00 -5.6643500000e-01  5.1810000000e-03  4.6707600000e-01 -3.5250300000e-01 -6.5016000000e-02  1.4660410000e+00 -1.4878600000e+00
-ENERGY -1.526617333326e+02
-FORCES -1.7681000000e-03 -1.5872000000e-03  4.4337000000e-03 -1.5967000000e-03 -1.1836000000e-03 -4.5976000000e-03  3.6078000000e-03  2.6959000000e-03  7.0320000000e-04 -1.4408000000e-03 -8.8404000000e-03  5.3810000000e-04  9.1700000000e-04  1.0006400000e-02 -4.0328000000e-03  2.8080000000e-04 -1.0911000000e-03  2.9555000000e-03
-
-JOB 56
-COORDS  1.1605740000e+00  9.7333900000e-01 -2.2986900000e-01  3.5724400000e-01  5.4381300000e-01  6.4069000000e-02  1.7490390000e+00  2.5298100000e-01 -4.5575500000e-01 -1.1092520000e+00 -8.6609800000e-01  2.7238400000e-01 -1.9911960000e+00 -7.0218200000e-01 -6.1590000000e-02 -8.4600100000e-01 -1.6893140000e+00 -1.3901100000e-01
-ENERGY -1.526604842443e+02
-FORCES -6.2130000000e-03 -8.0509000000e-03  1.8375000000e-03  7.2546000000e-03  6.2114000000e-03 -1.7076000000e-03 -1.5673000000e-03  1.8830000000e-03  2.9800000000e-04 -2.7958000000e-03 -2.8338000000e-03 -3.5735000000e-03  4.3315000000e-03 -1.4293000000e-03  1.4213000000e-03 -1.0100000000e-03  4.2196000000e-03  1.7242000000e-03
-
-JOB 57
-COORDS  1.2960450000e+00 -3.8821000000e-01  4.6749900000e-01  1.6176720000e+00 -1.2705190000e+00  2.8224700000e-01  2.0566830000e+00  7.6047000000e-02  8.1696700000e-01 -1.4054930000e+00  4.0757600000e-01 -5.3490200000e-01 -1.4856940000e+00  9.0575400000e-01  2.7849700000e-01 -5.6698100000e-01 -4.7299000000e-02 -4.5604500000e-01
-ENERGY -1.526600648423e+02
-FORCES  4.4450000000e-03  2.7440000000e-04  1.0376000000e-03 -1.7993000000e-03  4.5615000000e-03  4.3150000000e-04 -2.8667000000e-03 -3.1764000000e-03 -1.0034000000e-03  8.5211000000e-03 -5.3890000000e-04  6.0671000000e-03 -1.1899000000e-03 -5.2120000000e-04 -2.6415000000e-03 -7.1103000000e-03 -5.9940000000e-04 -3.8913000000e-03
-
-JOB 58
-COORDS  1.1218230000e+00 -9.9875000000e-01  3.6705900000e-01  3.6627900000e-01 -4.5191500000e-01  1.5175100000e-01  1.8593220000e+00 -5.7130600000e-01 -6.8394000000e-02 -1.1294190000e+00  9.6025800000e-01 -2.6584200000e-01 -1.4878860000e+00  2.1565600000e-01 -7.4885400000e-01 -6.2337600000e-01  1.4471070000e+00 -9.1632700000e-01
-ENERGY -1.526580663681e+02
-FORCES -3.6836000000e-03  8.0111000000e-03 -1.0228000000e-03  5.3400000000e-03 -7.9467000000e-03 -2.3063000000e-03 -2.8975000000e-03 -1.1896000000e-03  8.9350000000e-04 -3.0269000000e-03  2.3895000000e-03 -5.4792000000e-03  5.3915000000e-03  2.7782000000e-03  4.0136000000e-03 -1.1234000000e-03 -4.0425000000e-03  3.9011000000e-03
-
-JOB 59
-COORDS  4.2078700000e-01 -1.4756180000e+00 -3.4208600000e-01 -4.7191400000e-01 -1.1884890000e+00 -1.5005700000e-01  9.6898800000e-01 -7.2568300000e-01 -1.1121000000e-01 -3.4802700000e-01  1.3967100000e+00  2.7497000000e-01 -3.1993400000e-01  1.6977800000e+00  1.1831550000e+00 -1.2801140000e+00  1.3742420000e+00  5.8312000000e-02
-ENERGY -1.526572054214e+02
-FORCES -2.2005000000e-03  1.0436200000e-02  2.4311000000e-03  9.6400000000e-05 -3.5117000000e-03 -1.0971000000e-03  1.6806000000e-03 -5.5748000000e-03 -4.8710000000e-04 -4.0141000000e-03  2.3144000000e-03  1.9623000000e-03  8.8100000000e-05 -2.1843000000e-03 -4.3499000000e-03  4.3495000000e-03 -1.4797000000e-03  1.5408000000e-03
-
-JOB 60
-COORDS -9.5777000000e-01  9.1338700000e-01 -7.5478100000e-01 -1.6577130000e+00  1.4827510000e+00 -4.3519300000e-01 -5.4615300000e-01  5.7065600000e-01  3.8528000000e-02  9.7734800000e-01 -9.3307200000e-01  6.1750100000e-01  5.5375500000e-01 -1.5424630000e+00  1.2220210000e+00  1.3478440000e+00 -2.5417900000e-01  1.1814780000e+00
-ENERGY -1.526565650796e+02
-FORCES  2.2144000000e-03 -3.1545000000e-03  4.1922000000e-03  3.2855000000e-03 -2.8910000000e-03 -1.8130000000e-04 -5.0347000000e-03  7.2407000000e-03 -1.4213000000e-03  3.1146000000e-03 -3.3236000000e-03  3.8018000000e-03  1.4215000000e-03  4.1360000000e-03 -2.8880000000e-03 -5.0012000000e-03 -2.0078000000e-03 -3.5034000000e-03
-
-JOB 61
-COORDS  6.4023500000e-01  9.7393300000e-01  1.0083160000e+00  4.2174100000e-01  4.5463800000e-01  2.3447700000e-01  1.4037910000e+00  1.4875700000e+00  7.4489500000e-01 -6.8727500000e-01 -9.4716000000e-01 -8.8158400000e-01  2.6813000000e-02 -1.5165430000e+00 -1.1681380000e+00 -1.2333930000e+00 -8.3690200000e-01 -1.6599360000e+00
-ENERGY -1.526596039674e+02
-FORCES -2.1346000000e-03 -2.8236000000e-03 -5.9280000000e-03  7.1198000000e-03  5.1179000000e-03  5.6305000000e-03 -2.7797000000e-03 -2.4623000000e-03  4.4400000000e-05 -2.6093000000e-03 -3.2295000000e-03 -4.6683000000e-03 -2.6192000000e-03  4.7724000000e-03  1.5937000000e-03  3.0230000000e-03 -1.3749000000e-03  3.3276000000e-03
-
-JOB 62
-COORDS  6.8460300000e-01  1.0944490000e+00  8.8755000000e-01  4.6998000000e-01  4.4681800000e-01  2.1617700000e-01  2.7839200000e-01  7.5641400000e-01  1.6856460000e+00 -6.7422200000e-01 -1.0212750000e+00 -8.3211200000e-01 -3.6586700000e-01 -4.7814200000e-01 -1.5574780000e+00 -6.0064100000e-01 -1.9189070000e+00 -1.1562650000e+00
-ENERGY -1.526585173740e+02
-FORCES -5.4211000000e-03 -8.2260000000e-03 -1.2750000000e-04  3.5449000000e-03  7.0442000000e-03 -1.0277000000e-03  2.0878000000e-03  2.1185000000e-03 -1.4531000000e-03 -8.9300000000e-05 -3.5784000000e-03 -4.9221000000e-03  7.7790000000e-04 -1.7887000000e-03  6.6314000000e-03 -9.0020000000e-04  4.4305000000e-03  8.9900000000e-04
-
-JOB 63
-COORDS -1.5687600000e-01  1.0195990000e+00 -1.1664850000e+00  1.5259600000e-01  3.5947200000e-01 -5.4625100000e-01  5.3412000000e-01  1.6819080000e+00 -1.1767250000e+00  1.5426000000e-01 -9.9040300000e-01  1.1007960000e+00 -5.6001600000e-01 -5.0457200000e-01  1.5131190000e+00 -8.3712000000e-02 -1.9104310000e+00  1.2154730000e+00
-ENERGY -1.526613176145e+02
-FORCES  4.6515000000e-03 -3.8729000000e-03  3.9453000000e-03 -2.6527000000e-03  8.1497000000e-03 -5.1846000000e-03 -2.3548000000e-03 -2.3818000000e-03  5.1940000000e-04 -4.2736000000e-03 -3.8656000000e-03  3.0281000000e-03  4.0641000000e-03 -2.3362000000e-03 -2.9383000000e-03  5.6550000000e-04  4.3068000000e-03  6.3000000000e-04
-
-JOB 64
-COORDS  1.2519150000e+00 -1.2549400000e-01 -8.4168800000e-01  1.2336070000e+00 -1.0549160000e+00 -1.0698810000e+00  1.0683060000e+00  3.2736300000e-01 -1.6647550000e+00 -1.2799520000e+00  9.4056000000e-02  8.9003700000e-01 -4.1568600000e-01  2.9445000000e-01  5.3070700000e-01 -1.4852590000e+00  8.4112600000e-01  1.4521470000e+00
-ENERGY -1.526611756637e+02
-FORCES  2.1760000000e-04 -3.9220000000e-03 -5.8968000000e-03  5.2740000000e-04  4.7190000000e-03  4.2510000000e-04  6.4270000000e-04 -1.9854000000e-03  4.1655000000e-03  6.1471000000e-03  2.2275000000e-03 -1.3850000000e-03 -8.8887000000e-03  1.1625000000e-03  5.1750000000e-03  1.3539000000e-03 -2.2017000000e-03 -2.4838000000e-03
-
-JOB 65
-COORDS -5.5439200000e-01 -1.3759810000e+00  5.5828800000e-01 -1.1206300000e-01 -2.0760580000e+00  7.8216000000e-02 -3.3684800000e-01 -5.7894200000e-01  7.4930000000e-02  5.5328600000e-01  1.3441360000e+00 -4.5447600000e-01  5.7928300000e-01  1.2783770000e+00 -1.4090610000e+00 -2.1617500000e-01  1.8834330000e+00 -2.7193800000e-01
-ENERGY -1.526593648575e+02
-FORCES  5.5521000000e-03  4.6976000000e-03 -3.7416000000e-03 -1.5803000000e-03  2.5341000000e-03  1.1299000000e-03 -5.8421000000e-03 -7.9891000000e-03  1.4493000000e-03 -6.8520000000e-04  6.5086000000e-03 -2.8215000000e-03 -9.6800000000e-04 -1.4404000000e-03  5.3021000000e-03  3.5234000000e-03 -4.3108000000e-03 -1.3182000000e-03
-
-JOB 66
-COORDS -3.7679000000e-01  1.0272610000e+00  1.1383660000e+00 -1.6287300000e-01  5.7448100000e-01  3.2260700000e-01 -5.0275500000e-01  1.9403250000e+00  8.8014400000e-01  3.4197000000e-01 -9.8846700000e-01 -1.0756660000e+00 -8.4307000000e-02 -1.8298090000e+00 -9.1237900000e-01  1.2551850000e+00 -1.2128100000e+00 -1.2543840000e+00
-ENERGY -1.526615913290e+02
-FORCES  1.2736000000e-03 -1.7951000000e-03 -6.7526000000e-03 -2.5864000000e-03  6.9650000000e-03  7.3257000000e-03  7.3320000000e-04 -3.2118000000e-03  3.9330000000e-04  2.2960000000e-03 -6.0015000000e-03 -1.7300000000e-04  2.6481000000e-03  3.5511000000e-03 -1.3071000000e-03 -4.3644000000e-03  4.9230000000e-04  5.1360000000e-04
-
-JOB 67
-COORDS -9.3713100000e-01 -1.1136340000e+00 -4.1368200000e-01 -5.8037900000e-01 -1.1839190000e+00 -1.2991310000e+00 -1.8834760000e+00 -1.1998590000e+00 -5.2869100000e-01  9.8743600000e-01  1.1694390000e+00  4.2609800000e-01  1.3330630000e+00  1.0796860000e+00  1.3141960000e+00  3.6261300000e-01  4.4968800000e-01  3.3786400000e-01
-ENERGY -1.526614532359e+02
-FORCES -4.2504000000e-03 -1.6524000000e-03 -4.7564000000e-03 -2.0064000000e-03  7.4370000000e-04  4.6803000000e-03  4.3138000000e-03 -4.0430000000e-04 -3.1200000000e-04 -4.0408000000e-03 -5.6234000000e-03  2.2109000000e-03 -1.3482000000e-03  2.1540000000e-04 -2.8672000000e-03  7.3319000000e-03  6.7210000000e-03  1.0444000000e-03
-
-JOB 68
-COORDS -5.5145800000e-01 -6.1101600000e-01 -1.3861330000e+00 -5.2841600000e-01  7.1470000000e-03 -6.5567100000e-01 -1.2615160000e+00 -2.9555300000e-01 -1.9451790000e+00  5.8990400000e-01  5.1392100000e-01  1.3236690000e+00  3.6337400000e-01  3.5579900000e-01  2.2401370000e+00  7.6601700000e-01  1.4537040000e+00  1.2786910000e+00
-ENERGY -1.526584717306e+02
-FORCES -6.7830000000e-04  3.4261000000e-03  4.0554000000e-03 -3.2191000000e-03 -1.6883000000e-03 -8.3758000000e-03  2.7127000000e-03 -6.3960000000e-04  2.6108000000e-03  1.8581000000e-03  1.9482000000e-03  6.2333000000e-03  1.3911000000e-03  1.4574000000e-03 -3.9785000000e-03 -2.0645000000e-03 -4.5039000000e-03 -5.4520000000e-04
-
-JOB 69
-COORDS -7.5339600000e-01  2.1939100000e-01  1.3842610000e+00  3.9826000000e-02  7.1769900000e-01  1.1874850000e+00 -1.2042760000e+00  7.3895300000e-01  2.0498390000e+00  7.4494700000e-01 -2.4485100000e-01 -1.4722410000e+00  9.2277200000e-01  1.1707700000e-01 -6.0412900000e-01  4.0866600000e-01 -1.1245630000e+00 -1.3012080000e+00
-ENERGY -1.526524011445e+02
-FORCES -1.8960000000e-04  5.6173000000e-03  2.6858000000e-03 -9.9690000000e-04 -4.3763000000e-03 -2.3172000000e-03  1.9211000000e-03 -2.4362000000e-03 -3.0415000000e-03 -3.5001000000e-03 -3.5480000000e-03  5.4224000000e-03  1.9810000000e-04  1.6217000000e-03 -5.4260000000e-04  2.5674000000e-03  3.1214000000e-03 -2.2068000000e-03
-
-JOB 70
-COORDS -7.3266200000e-01 -6.6329800000e-01 -1.3339970000e+00 -6.3702400000e-01  7.3147000000e-02 -1.9379290000e+00  1.1799600000e-01 -7.2996000000e-01 -9.0021100000e-01  6.7680100000e-01  5.9959100000e-01  1.2785840000e+00  1.3255060000e+00  3.7956300000e-01  1.9471660000e+00  8.2796000000e-02  1.2118200000e+00  1.7128250000e+00
-ENERGY -1.526571792754e+02
-FORCES  5.3334000000e-03  4.0666000000e-03  2.6881000000e-03 -8.8600000000e-04 -2.6269000000e-03  1.7319000000e-03 -3.1657000000e-03 -2.4769000000e-03 -5.2869000000e-03 -1.9677000000e-03  2.4285000000e-03  5.1801000000e-03 -2.8382000000e-03  6.3620000000e-04 -3.2250000000e-03  3.5242000000e-03 -2.0275000000e-03 -1.0882000000e-03
-
-JOB 71
-COORDS  3.6992800000e-01  2.3612100000e-01  1.6205400000e+00  1.2130500000e-01  3.5487000000e-01  7.0385300000e-01  1.0005490000e+00  9.3582200000e-01  1.7907380000e+00 -4.1374300000e-01 -2.9906600000e-01 -1.5136790000e+00  2.2037900000e-01  3.6879000000e-01 -1.7746180000e+00 -6.9240000000e-01 -7.0010100000e-01 -2.3369370000e+00
-ENERGY -1.526565600366e+02
-FORCES -3.2800000000e-04  1.2980000000e-03 -4.3711000000e-03  3.8559000000e-03  3.0769000000e-03  5.9165000000e-03 -2.3117000000e-03 -2.6147000000e-03 -1.4544000000e-03 -1.6100000000e-05 -1.5962000000e-03 -6.6308000000e-03 -2.9548000000e-03 -2.4067000000e-03  3.6697000000e-03  1.7546000000e-03  2.2426000000e-03  2.8701000000e-03
-
-JOB 72
-COORDS  7.9785100000e-01  1.5071160000e+00 -1.2647200000e-01  1.4582830000e+00  8.4489300000e-01  7.7299000000e-02 -2.6037000000e-02  1.0211880000e+00 -1.6272300000e-01 -7.5201400000e-01 -1.4085690000e+00  6.4931000000e-02 -1.4370780000e+00 -2.0583750000e+00 -9.2139000000e-02 -7.1350400000e-01 -1.3259770000e+00  1.0177840000e+00
-ENERGY -1.526582934215e+02
-FORCES -1.6664000000e-03 -7.2597000000e-03 -1.3370000000e-03 -1.5292000000e-03  3.3647000000e-03  4.4450000000e-04  3.5639000000e-03  5.4699000000e-03  1.9129000000e-03 -3.6813000000e-03 -4.9974000000e-03  2.6169000000e-03  3.0985000000e-03  2.6658000000e-03  1.3163000000e-03  2.1450000000e-04  7.5670000000e-04 -4.9536000000e-03
-
-JOB 73
-COORDS -3.4106400000e-01 -9.6217000000e-01 -1.3007310000e+00  2.6138000000e-02 -6.4955400000e-01 -2.1275720000e+00 -1.1044660000e+00 -4.0445100000e-01 -1.1510710000e+00  3.5031100000e-01  9.1262000000e-01  1.4062290000e+00  1.1319090000e+00  5.7449900000e-01  9.6918200000e-01 -1.9903100000e-01  1.2417370000e+00  6.9479600000e-01
-ENERGY -1.526541417886e+02
-FORCES -3.2781000000e-03  1.6126000000e-03 -3.1261000000e-03 -1.0767000000e-03 -6.9890000000e-04  4.5492000000e-03  4.2650000000e-03 -8.4060000000e-04 -4.0150000000e-04  1.5177000000e-03 -2.9562000000e-03 -6.5945000000e-03 -1.7911000000e-03  3.1441000000e-03  3.0715000000e-03  3.6320000000e-04 -2.6110000000e-04  2.5014000000e-03
-
-JOB 74
-COORDS -2.5957600000e-01 -1.1108200000e-01  1.6975300000e+00 -8.8290700000e-01 -8.3296000000e-01  1.7786700000e+00  4.0790400000e-01 -2.9492700000e-01  2.3585160000e+00  2.8026700000e-01  2.2770600000e-01 -1.7310710000e+00 -1.8706200000e-01 -2.0677100000e-01 -2.4445590000e+00  4.0263300000e-01 -4.5629500000e-01 -1.0727380000e+00
-ENERGY -1.526550469066e+02
-FORCES -7.2050000000e-04 -2.1733000000e-03  5.2519000000e-03  3.3063000000e-03  2.7451000000e-03 -1.3356000000e-03 -2.9271000000e-03  5.4260000000e-04 -3.3219000000e-03 -1.4313000000e-03 -3.8595000000e-03  2.1875000000e-03  1.5901000000e-03  1.5818000000e-03  3.0616000000e-03  1.8240000000e-04  1.1633000000e-03 -5.8436000000e-03
-
-JOB 75
-COORDS  4.6864200000e-01 -1.1124300000e+00  1.3550430000e+00  1.3294270000e+00 -8.4049500000e-01  1.0367130000e+00  1.0481600000e-01 -3.2705900000e-01  1.7637670000e+00 -5.5125500000e-01  1.0330640000e+00 -1.3328770000e+00  2.8177300000e-01  1.2137560000e+00 -8.9739100000e-01 -3.6820900000e-01  1.1611210000e+00 -2.2636440000e+00
-ENERGY -1.526524864778e+02
-FORCES  5.5630000000e-04  3.8760000000e-03 -5.2100000000e-05 -3.4732000000e-03 -2.8280000000e-04  8.9600000000e-04  2.5736000000e-03 -3.0443000000e-03 -1.5055000000e-03  3.9988000000e-03  2.0160000000e-04 -2.3528000000e-03 -2.9824000000e-03 -1.5000000000e-04 -9.7550000000e-04 -6.7310000000e-04 -6.0060000000e-04  3.9898000000e-03
-
-JOB 76
-COORDS  1.1055470000e+00 -1.3195620000e+00  4.4738200000e-01  5.3528000000e-01 -1.6049270000e+00  1.1612410000e+00  1.9926040000e+00 -1.4358170000e+00  7.8774200000e-01 -1.0860370000e+00  1.3922580000e+00 -4.7756300000e-01 -9.1870400000e-01  4.5599900000e-01 -3.6962200000e-01 -1.8722240000e+00  1.4343380000e+00 -1.0219630000e+00
-ENERGY -1.526562376353e+02
-FORCES  3.9616000000e-03 -1.5533000000e-03  4.8274000000e-03  1.4823000000e-03  1.7631000000e-03 -3.8812000000e-03 -3.8021000000e-03 -3.0550000000e-04 -1.0889000000e-03 -5.9410000000e-04 -4.4558000000e-03 -2.0680000000e-03 -4.0966000000e-03  4.8181000000e-03 -1.7000000000e-05  3.0489000000e-03 -2.6670000000e-04  2.2278000000e-03
-
-JOB 77
-COORDS  9.9093600000e-01 -1.0129010000e+00  1.2993730000e+00  8.6252100000e-01 -9.2347700000e-01  3.5505100000e-01  3.0834800000e-01 -4.6534800000e-01  1.6873070000e+00 -9.3991500000e-01  1.0433600000e+00 -1.2578410000e+00 -1.7339280000e+00  5.0905100000e-01 -1.2408570000e+00 -2.3512600000e-01  4.2031200000e-01 -1.4348020000e+00
-ENERGY -1.526535108063e+02
-FORCES -3.6253000000e-03  4.0390000000e-03 -1.5925000000e-03  4.2560000000e-04 -7.9240000000e-04  1.9425000000e-03  3.0117000000e-03 -3.3572000000e-03 -1.0816000000e-03 -1.3708000000e-03 -3.7495000000e-03 -2.8125000000e-03  4.0057000000e-03  2.2966000000e-03  5.2520000000e-04 -2.4469000000e-03  1.5636000000e-03  3.0189000000e-03
-
-JOB 78
-COORDS -1.0770710000e+00  1.3774140000e+00 -9.4703300000e-01 -1.2093270000e+00  1.9945620000e+00 -2.2740200000e-01 -1.2063430000e+00  5.1564500000e-01 -5.5096000000e-01  1.0259980000e+00 -1.3591860000e+00  8.7226600000e-01  1.7142350000e+00 -7.6022600000e-01  5.8276600000e-01  1.4899710000e+00 -2.0409690000e+00  1.3582010000e+00
-ENERGY -1.526567182871e+02
-FORCES -1.2954000000e-03 -2.1086000000e-03  4.9739000000e-03  6.6280000000e-04 -2.0437000000e-03 -2.9674000000e-03 -3.3670000000e-04  4.8956000000e-03 -2.5175000000e-03  5.5124000000e-03 -8.3730000000e-04  6.8220000000e-04 -2.8633000000e-03 -2.8604000000e-03  1.8142000000e-03 -1.6797000000e-03  2.9545000000e-03 -1.9854000000e-03
-
-JOB 79
-COORDS -8.0892200000e-01 -1.4734640000e+00 -1.1707300000e+00 -8.5429900000e-01 -7.2699100000e-01 -1.7681830000e+00 -1.4804390000e+00 -2.0767750000e+00 -1.4890280000e+00  8.9327000000e-01  1.4293020000e+00  1.1872540000e+00  9.9797100000e-01  2.3396840000e+00  1.4637930000e+00  9.3963000000e-02  1.1360290000e+00  1.6246680000e+00
-ENERGY -1.526543708808e+02
-FORCES -2.1085000000e-03  9.2120000000e-04 -4.1892000000e-03 -5.5750000000e-04 -3.4964000000e-03  2.2243000000e-03  2.7177000000e-03  2.5285000000e-03  1.4895000000e-03 -2.9959000000e-03  1.5422000000e-03  3.2445000000e-03 -4.5170000000e-04 -3.7041000000e-03 -1.3437000000e-03  3.3959000000e-03  2.2087000000e-03 -1.4254000000e-03
-
-JOB 80
-COORDS  3.8773000000e-02 -1.4777480000e+00  1.5742690000e+00  9.8666400000e-01 -1.4978420000e+00  1.7059170000e+00 -1.5942200000e-01 -5.5827500000e-01  1.3967300000e+00 -6.0693000000e-02  1.4327970000e+00 -1.5069660000e+00  1.2544100000e-01  1.8779090000e+00 -2.3336830000e+00 -6.5905800000e-01  7.2464200000e-01 -1.7450980000e+00
-ENERGY -1.526559797023e+02
-FORCES  3.5669000000e-03  4.4474000000e-03 -2.9120000000e-04 -3.7464000000e-03 -3.4970000000e-04 -2.2110000000e-04  1.2410000000e-04 -4.6785000000e-03  1.1003000000e-03 -1.6122000000e-03 -8.2870000000e-04 -5.2432000000e-03 -8.4120000000e-04 -1.9057000000e-03  3.2714000000e-03  2.5088000000e-03  3.3153000000e-03  1.3838000000e-03
-
-JOB 81
-COORDS  4.3545900000e-01 -1.1571430000e+00  1.7428660000e+00  8.6185000000e-02 -1.1321180000e+00  2.6337160000e+00  5.3224100000e-01 -2.0895250000e+00  1.5491410000e+00 -4.3383900000e-01  1.2494000000e+00 -1.7320450000e+00  2.8924500000e-01  6.2681300000e-01 -1.8079890000e+00 -9.1710000000e-01  1.1572600000e+00 -2.5531420000e+00
-ENERGY -1.526537845958e+02
-FORCES -1.6776000000e-03 -3.2113000000e-03  3.3142000000e-03  1.6143000000e-03 -3.9730000000e-04 -3.5444000000e-03 -2.1900000000e-04  3.8756000000e-03  4.1600000000e-04  1.3815000000e-03 -3.4292000000e-03 -2.6440000000e-03 -2.9410000000e-03  2.7920000000e-03 -8.6340000000e-04  1.8418000000e-03  3.7020000000e-04  3.3216000000e-03
-
-JOB 82
-COORDS  2.9316000000e-02 -1.9131680000e+00 -1.3935240000e+00 -9.1558600000e-01 -1.9863700000e+00 -1.2592350000e+00  3.9050100000e-01 -2.7045150000e+00 -9.9409100000e-01 -1.2567000000e-02  1.9236330000e+00  1.4115840000e+00  5.4016000000e-02  1.7001940000e+00  4.8321200000e-01  1.6877500000e-01  2.8628690000e+00  1.4459750000e+00
-ENERGY -1.526551451549e+02
-FORCES -2.2799000000e-03 -4.1063000000e-03  2.5047000000e-03  3.9205000000e-03  5.2320000000e-04 -7.3450000000e-04 -1.5541000000e-03  3.1122000000e-03 -1.8700000000e-03  1.3660000000e-03  2.4439000000e-03 -4.0377000000e-03 -6.9250000000e-04  1.7444000000e-03  4.2282000000e-03 -7.6000000000e-04 -3.7175000000e-03 -9.0700000000e-05
-
-JOB 83
-COORDS  6.3036200000e-01 -2.3474280000e+00  4.1965700000e-01  6.7408500000e-01 -1.9713650000e+00 -4.5948800000e-01 -1.3987500000e-01 -1.9407390000e+00  8.1661000000e-01 -6.2850100000e-01  2.2502910000e+00 -4.0504100000e-01  3.1938900000e-01  2.1786740000e+00 -2.9275800000e-01 -8.1165100000e-01  3.1848500000e+00 -3.0867600000e-01
-ENERGY -1.526551779470e+02
-FORCES -3.6580000000e-03  3.2717000000e-03 -2.1212000000e-03  3.9950000000e-04 -1.5981000000e-03  3.5876000000e-03  3.4688000000e-03 -2.0422000000e-03 -1.3440000000e-03  3.0192000000e-03  4.2701000000e-03  9.0350000000e-04 -4.0753000000e-03 -6.8400000000e-05 -6.2870000000e-04  8.4580000000e-04 -3.8332000000e-03 -3.9730000000e-04
-
-JOB 84
-COORDS  3.3977200000e-01 -1.4091610000e+00  2.0165070000e+00  1.3571700000e-01 -6.7148200000e-01  2.5913300000e+00  1.2961620000e+00 -1.4299530000e+00  1.9830670000e+00 -3.5300200000e-01  1.3302780000e+00 -2.0002740000e+00 -6.7292000000e-01  2.2226840000e+00 -1.8679990000e+00 -5.1410800000e-01  1.1524610000e+00 -2.9269120000e+00
-ENERGY -1.526535449716e+02
-FORCES  3.0543000000e-03  3.4945000000e-03  1.3026000000e-03  7.8920000000e-04 -3.1066000000e-03 -1.9076000000e-03 -3.7740000000e-03 -1.8260000000e-04  5.1820000000e-04 -2.2390000000e-03  2.5114000000e-03 -3.2395000000e-03  1.4226000000e-03 -3.5726000000e-03 -4.1900000000e-04  7.4690000000e-04  8.5590000000e-04  3.7453000000e-03
-
-JOB 85
-COORDS -6.1570300000e-01  2.8938350000e+00 -1.3306680000e+00 -1.5361000000e-02  2.2056540000e+00 -1.0439120000e+00 -1.1932410000e+00  2.4616380000e+00 -1.9598630000e+00  6.3745500000e-01 -2.7754860000e+00  1.3288070000e+00  1.1225940000e+00 -3.4951760000e+00  1.7324380000e+00 -2.5861300000e-01 -3.1032590000e+00  1.2522690000e+00
-ENERGY -1.526545162193e+02
-FORCES  2.9350000000e-04 -4.7743000000e-03 -1.1948000000e-03 -2.5534000000e-03  3.0540000000e-03 -1.3641000000e-03  2.2161000000e-03  1.8140000000e-03  2.4746000000e-03 -1.5908000000e-03 -4.4403000000e-03  1.6135000000e-03 -2.0256000000e-03  2.9217000000e-03 -1.6909000000e-03  3.6602000000e-03  1.4250000000e-03  1.6160000000e-04
-
-JOB 86
-COORDS  2.3557500000e-01  2.7517560000e+00  1.7321020000e+00  9.0574000000e-01  3.3264410000e+00  2.1020310000e+00 -2.4269900000e-01  3.3064630000e+00  1.1158340000e+00 -2.7317800000e-01 -2.8684970000e+00 -1.7544890000e+00 -7.1377200000e-01 -2.4404710000e+00 -1.0203900000e+00  5.9550200000e-01 -2.4672780000e+00 -1.7799800000e+00
-ENERGY -1.526545737395e+02
-FORCES  7.5450000000e-04  4.8624000000e-03 -8.0830000000e-04 -2.7308000000e-03 -2.3776000000e-03 -1.5680000000e-03  1.9890000000e-03 -2.3879000000e-03  2.4648000000e-03  1.7833000000e-03  3.5315000000e-03  3.1455000000e-03  1.6734000000e-03 -1.8968000000e-03 -3.1461000000e-03 -3.4694000000e-03 -1.7317000000e-03 -8.7800000000e-05
-
-JOB 87
-COORDS  4.2491000000e-01 -3.3893090000e+00 -1.6110100000e-01  9.2447000000e-02 -3.0255550000e+00 -9.8170100000e-01 -3.3172800000e-01 -3.3897600000e+00  4.2518400000e-01 -3.9152700000e-01  3.4319410000e+00  1.8254200000e-01 -5.3492500000e-01  2.8360210000e+00 -5.5267800000e-01  1.8923100000e-01  2.9506170000e+00  7.7184500000e-01
-ENERGY -1.526540824152e+02
-FORCES -4.5214000000e-03  1.0159000000e-03 -9.8550000000e-04  1.4128000000e-03 -1.2187000000e-03  3.4313000000e-03  3.1666000000e-03  1.9260000000e-04 -2.4325000000e-03  2.0098000000e-03 -4.3071000000e-03 -5.5430000000e-04  4.4140000000e-04  2.3429000000e-03  2.9700000000e-03 -2.5091000000e-03  1.9745000000e-03 -2.4290000000e-03
-
-JOB 88
-COORDS  9.7152000000e-01 -2.6768950000e+00  3.0365310000e+00  1.9565500000e-01 -3.2372190000e+00  3.0539140000e+00  1.6106430000e+00 -3.1349680000e+00  3.5823530000e+00 -9.1374300000e-01  2.7829330000e+00 -3.0570910000e+00 -8.0055900000e-01  1.9208840000e+00 -3.4574550000e+00 -1.8437930000e+00  2.8239030000e+00 -2.8344660000e+00
-ENERGY -1.526539991987e+02
-FORCES -4.9270000000e-04 -4.1055000000e-03  2.3560000000e-03  3.1358000000e-03  2.2861000000e-03 -1.2000000000e-04 -2.6305000000e-03  1.8462000000e-03 -2.2389000000e-03 -3.2405000000e-03 -3.4549000000e-03 -5.4220000000e-04 -5.1520000000e-04  3.5548000000e-03  1.5196000000e-03  3.7431000000e-03 -1.2660000000e-04 -9.7440000000e-04
-
-JOB 89
-COORDS  1.4233430000e+00 -4.2223620000e+00  9.4213400000e-01  2.0171280000e+00 -3.6335080000e+00  1.4078610000e+00  1.3691200000e+00 -3.8587880000e+00  5.8332000000e-02 -1.4437460000e+00  4.1765900000e+00 -9.8039100000e-01 -1.8489950000e+00  4.7614180000e+00 -3.4009300000e-01 -1.2448940000e+00  3.3810280000e+00 -4.8666000000e-01
-ENERGY -1.526540661502e+02
-FORCES  2.2844000000e-03  3.7747000000e-03 -1.7704000000e-03 -2.4830000000e-03 -2.3470000000e-03 -1.8785000000e-03  1.8400000000e-04 -1.4292000000e-03  3.6619000000e-03 -9.5170000000e-04 -7.9740000000e-04  4.6420000000e-03  1.6875000000e-03 -2.4004000000e-03 -2.6146000000e-03 -7.2120000000e-04  3.1993000000e-03 -2.0405000000e-03
-
-JOB 0
-COORDS -9.9906800000e-01 -6.9679400000e-01  2.2094300000e-01 -7.9229300000e-01 -1.1453120000e+00  1.0408870000e+00 -1.4129340000e+00 -1.3678130000e+00 -3.2190200000e-01  1.0641330000e+00  7.9665800000e-01 -1.9975300000e-01  1.0965860000e+00  4.4952800000e-01 -1.0912010000e+00  1.8773000000e-01  5.7265600000e-01  1.1325600000e-01
-ENERGY -1.526546819411e+02
-FORCES  1.1716000000e-02  4.3948000000e-03 -3.3101000000e-03 -1.3535000000e-03  2.8567000000e-03 -4.5341000000e-03  2.7602000000e-03  1.9232000000e-03  3.3581000000e-03 -1.7129100000e-02 -1.3692600000e-02 -1.5513000000e-03  1.3739000000e-03  1.2982000000e-03  9.6370000000e-04  2.6325000000e-03  3.2196000000e-03  5.0737000000e-03
-
-JOB 1
-COORDS -1.1123720000e+00  2.6075400000e-01  4.9460000000e-01 -1.1914300000e+00 -5.0032300000e-01  1.0697020000e+00 -1.4116360000e+00  9.9690200000e-01  1.0282290000e+00  1.1917950000e+00 -2.7636400000e-01 -5.2627000000e-01  2.8243400000e-01 -1.9346900000e-01 -2.3917700000e-01  1.1656360000e+00 -8.6513000000e-02 -1.4640890000e+00
-ENERGY -1.526562786387e+02
-FORCES  1.3034400000e-02  1.6760000000e-03 -2.1878000000e-03  2.9815000000e-03  4.6240000000e-03 -4.4542000000e-03 -4.3990000000e-04 -5.0889000000e-03 -1.3443000000e-03 -1.8126000000e-02  6.7929000000e-03  5.8121000000e-03  3.8529000000e-03 -8.2362000000e-03 -6.9520000000e-04 -1.3029000000e-03  2.3230000000e-04  2.8693000000e-03
-
-JOB 2
-COORDS  2.1092100000e-01 -3.0997500000e-01  1.2641100000e+00  9.4643500000e-01 -8.6753800000e-01  1.5178310000e+00  3.7402800000e-01 -1.0139000000e-01  3.4426200000e-01 -1.9023300000e-01  3.3171600000e-01 -1.2389880000e+00 -8.0603800000e-01  1.0244420000e+00 -9.9993300000e-01 -7.2944300000e-01 -4.5638400000e-01 -1.3051920000e+00
-ENERGY -1.526589776910e+02
-FORCES  3.9750000000e-04  5.2346000000e-03 -1.6640900000e-02 -2.1094000000e-03  1.5846000000e-03 -3.9055000000e-03 -1.1610000000e-03 -4.6004000000e-03  1.0020200000e-02 -5.1904000000e-03 -1.7870000000e-03  9.2923000000e-03  3.6838000000e-03 -4.4339000000e-03 -8.0070000000e-04  4.3795000000e-03  4.0021000000e-03  2.0346000000e-03
-
-JOB 3
-COORDS -1.1439570000e+00  1.2494400000e-01 -4.5589800000e-01 -1.4135460000e+00  5.9583300000e-01 -1.2444520000e+00 -1.9654690000e+00 -1.2246000000e-01 -3.1468000000e-02  1.2599580000e+00 -1.6228500000e-01  4.4204100000e-01  3.7556700000e-01 -5.9617000000e-02  9.0553000000e-02  1.2000580000e+00  1.6139900000e-01  1.3408580000e+00
-ENERGY -1.526576341691e+02
-FORCES  1.1819800000e-02 -1.5125000000e-03  4.5786000000e-03 -6.4240000000e-04 -2.8742000000e-03  4.6429000000e-03  3.1431000000e-03  2.6701000000e-03 -3.2793000000e-03 -1.9078500000e-02  3.3244000000e-03 -5.4730000000e-03  5.9890000000e-03 -5.4030000000e-04  1.7178000000e-03 -1.2309000000e-03 -1.0675000000e-03 -2.1871000000e-03
-
-JOB 4
-COORDS  1.2556580000e+00  1.5848500000e-01 -5.3806700000e-01  1.6919160000e+00  2.8626900000e-01  3.0430000000e-01  3.2268800000e-01  1.4032700000e-01 -3.2483400000e-01 -1.1669480000e+00 -1.8461800000e-01  4.3890600000e-01 -2.0751110000e+00 -3.5483200000e-01  1.8890800000e-01 -1.2316590000e+00  3.1317900000e-01  1.2539170000e+00
-ENERGY -1.526574297114e+02
-FORCES -1.5644200000e-02 -3.3868000000e-03  7.4331000000e-03 -2.1892000000e-03  2.2190000000e-04 -1.4908000000e-03  6.9433000000e-03  2.7673000000e-03 -9.8200000000e-04  5.9424000000e-03  1.7049000000e-03 -3.3031000000e-03  4.2040000000e-03  1.3345000000e-03  3.0337000000e-03  7.4370000000e-04 -2.6419000000e-03 -4.6909000000e-03
-
-JOB 5
-COORDS  6.9859000000e-02 -2.6260900000e-01  1.2603060000e+00 -4.9685800000e-01 -8.8260900000e-01  1.7192890000e+00 -2.2509000000e-01  5.9795000000e-01  1.5580900000e+00 -8.0398000000e-02  2.3687800000e-01 -1.3452670000e+00  7.1659500000e-01  7.1543700000e-01 -1.5733310000e+00  4.1945000000e-02 -1.0033000000e-02 -4.2858900000e-01
-ENERGY -1.526597061269e+02
-FORCES -4.2442000000e-03  1.0967000000e-03 -5.6072000000e-03  2.5169000000e-03  4.4009000000e-03 -1.4780000000e-03  1.6143000000e-03 -5.0603000000e-03 -2.8376000000e-03  3.1190000000e-03 -4.9302000000e-03  1.6112300000e-02 -2.2487000000e-03 -9.1510000000e-04  2.5654000000e-03 -7.5730000000e-04  5.4081000000e-03 -8.7549000000e-03
-
-JOB 6
-COORDS  1.3482190000e+00  1.9285900000e-01  2.0623600000e-01  1.7899840000e+00 -5.2538600000e-01 -2.4675300000e-01  4.1686600000e-01  4.1148000000e-02  4.5617000000e-02 -1.2534800000e+00 -1.5286100000e-01 -1.3960500000e-01 -2.0844420000e+00 -5.6627600000e-01  9.4536000000e-02 -1.4806160000e+00  4.6656200000e-01 -8.3311500000e-01
-ENERGY -1.526586147464e+02
-FORCES -1.4468600000e-02 -5.2367000000e-03 -1.1986000000e-03 -2.1310000000e-03  1.6958000000e-03  9.4230000000e-04  6.0925000000e-03  4.3494000000e-03 -3.4373000000e-03  6.2137000000e-03 -4.6700000000e-05  2.8609000000e-03  2.5418000000e-03  3.2561000000e-03 -3.1743000000e-03  1.7516000000e-03 -4.0179000000e-03  4.0071000000e-03
-
-JOB 7
-COORDS  6.9191900000e-01  9.1567900000e-01  7.7052800000e-01  2.9039200000e-01  3.2077000000e-01  1.3721000000e-01  8.6975900000e-01  3.6788200000e-01  1.5350690000e+00 -6.2781200000e-01 -8.1816100000e-01 -7.5364900000e-01 -1.5502410000e+00 -5.6487100000e-01 -7.8827700000e-01 -6.0626500000e-01 -1.6980550000e+00 -1.1298860000e+00
-ENERGY -1.526593053345e+02
-FORCES -6.4395000000e-03 -1.3124900000e-02 -7.4546000000e-03  8.2490000000e-04  6.5108000000e-03  3.4933000000e-03 -3.8390000000e-04  1.1851000000e-03 -1.8748000000e-03  3.5244000000e-03  3.8019000000e-03  4.1111000000e-03  4.9498000000e-03 -2.4211000000e-03 -2.1480000000e-04 -2.4757000000e-03  4.0482000000e-03  1.9398000000e-03
-
-JOB 8
-COORDS -3.9580200000e-01 -2.9575200000e-01 -1.2976710000e+00 -7.9159000000e-02  9.2460000000e-03 -4.4740900000e-01 -4.6676900000e-01 -1.2453860000e+00 -1.2007690000e+00  3.3820400000e-01  3.0667400000e-01  1.2087600000e+00  4.9014900000e-01  1.2118050000e+00  1.4805740000e+00  1.0401230000e+00 -1.9091600000e-01  1.6282190000e+00
-ENERGY -1.526594503262e+02
-FORCES  3.8640000000e-03  1.4742000000e-03  1.6728500000e-02 -1.9404000000e-03 -6.5800000000e-04 -8.6002000000e-03  9.2100000000e-04  2.2047000000e-03  1.2920000000e-04  7.8820000000e-04 -7.9310000000e-04 -5.1554000000e-03  1.0180000000e-04 -5.3036000000e-03 -1.3489000000e-03 -3.7346000000e-03  3.0757000000e-03 -1.7532000000e-03
-
-JOB 9
-COORDS -9.5027500000e-01  4.4972000000e-01 -8.8830000000e-01 -1.8293200000e-01  1.1499500000e-01 -4.2421300000e-01 -5.8938500000e-01  1.0040930000e+00 -1.5801540000e+00  8.3044000000e-01 -4.8886300000e-01  8.6297600000e-01  1.7182000000e+00 -3.1018400000e-01  5.5283400000e-01  8.4824300000e-01 -2.5300900000e-01  1.7904930000e+00
-ENERGY -1.526578612741e+02
-FORCES  9.9094000000e-03 -4.8695000000e-03  1.0063300000e-02 -2.3711000000e-03  3.4741000000e-03 -9.4126000000e-03  1.2385000000e-03 -2.3246000000e-03  3.3892000000e-03 -4.7099000000e-03  4.7761000000e-03  3.7370000000e-04 -6.3282000000e-03  7.8890000000e-04  8.0000000000e-07  2.2613000000e-03 -1.8451000000e-03 -4.4144000000e-03
-
-JOB 10
-COORDS  5.5262000000e-01 -8.1684100000e-01 -8.6128700000e-01  1.4297010000e+00 -1.1647230000e+00 -1.0223400000e+00  4.9302000000e-02 -1.5693710000e+00 -5.5047700000e-01 -5.5211400000e-01  8.8693800000e-01  9.1753900000e-01 -1.3550600000e+00  1.2463880000e+00  5.4030400000e-01 -1.3500000000e-01  4.1986100000e-01  1.9360100000e-01
-ENERGY -1.526604306629e+02
-FORCES  4.3070000000e-04  6.2740000000e-04  5.2827000000e-03 -4.9307000000e-03 -1.9230000000e-04  6.9910000000e-04  2.8689000000e-03  4.6846000000e-03 -1.6855000000e-03  6.1408000000e-03 -6.1107000000e-03 -1.0703300000e-02  2.5559000000e-03 -2.4689000000e-03  1.1750000000e-04 -7.0656000000e-03  3.4599000000e-03  6.2895000000e-03
-
-JOB 11
-COORDS -3.3550900000e-01 -7.1770500000e-01 -1.0683610000e+00  7.3120000000e-03 -1.5605720000e+00 -7.7124200000e-01  2.6270600000e-01 -4.4742700000e-01 -1.7650100000e+00  3.1511300000e-01  7.2854600000e-01  1.1430050000e+00  1.6775700000e-01  2.9186200000e-01  3.0406300000e-01 -1.6331900000e-01  1.5544660000e+00  1.0709500000e+00
-ENERGY -1.526598660191e+02
-FORCES  2.5797000000e-03 -1.8275000000e-03  1.7560000000e-03 -8.1210000000e-04  6.3258000000e-03 -1.2560000000e-03 -2.6148000000e-03 -3.1130000000e-04  5.9055000000e-03 -6.7633000000e-03 -6.2661000000e-03 -1.3338700000e-02  6.1408000000e-03  4.4448000000e-03  7.7916000000e-03  1.4697000000e-03 -2.3657000000e-03 -8.5840000000e-04
-
-JOB 12
-COORDS -9.6052800000e-01 -8.4039800000e-01  1.4553600000e-01 -1.2900540000e+00 -1.4677340000e+00 -4.9796500000e-01 -1.4284020000e+00 -1.0559940000e+00  9.5228500000e-01  9.9542600000e-01  9.5621700000e-01 -1.3450500000e-01  4.7259400000e-01  1.6307000000e-01 -1.7047000000e-02  1.7543940000e+00  6.7025800000e-01 -6.4286200000e-01
-ENERGY -1.526593920604e+02
-FORCES  2.7572000000e-03  3.5581000000e-03 -2.8690000000e-04  1.1573000000e-03  2.4121000000e-03  4.0642000000e-03  1.3584000000e-03 -6.3500000000e-05 -4.9300000000e-03 -9.3382000000e-03 -1.0146900000e-02  1.0268000000e-03  7.5590000000e-03  4.9821000000e-03 -9.1540000000e-04 -3.4937000000e-03 -7.4180000000e-04  1.0413000000e-03
-
-JOB 13
-COORDS  1.0575300000e+00 -8.1657100000e-01 -3.6979600000e-01  3.0715300000e-01 -3.8619200000e-01  4.0009000000e-02  1.0961990000e+00 -1.6781960000e+00  4.5342000000e-02 -9.6977400000e-01  8.8713900000e-01  3.1055500000e-01 -1.6977200000e+00  6.2523800000e-01 -2.5312400000e-01 -1.0606060000e+00  3.3906500000e-01  1.0900390000e+00
-ENERGY -1.526545464833e+02
-FORCES -8.6631000000e-03  8.2988000000e-03  2.5362000000e-03  3.0805000000e-03 -9.6144000000e-03  3.9235000000e-03 -2.7918000000e-03  4.4381000000e-03 -1.0390000000e-04 -2.2720000000e-03 -2.2709000000e-03 -1.9416000000e-03  4.5858000000e-03  4.9760000000e-04  3.7690000000e-03  6.0606000000e-03 -1.3492000000e-03 -8.1832000000e-03
-
-JOB 14
-COORDS  1.0183310000e+00  4.1145400000e-01  7.3586800000e-01  1.7941900000e+00  5.0352900000e-01  1.8288000000e-01  1.2834530000e+00 -2.0206300000e-01  1.4210970000e+00 -1.0813720000e+00 -4.4802900000e-01 -7.6152200000e-01 -4.1306000000e-01 -1.6330000000e-02 -2.2933200000e-01 -1.7138610000e+00  2.4270300000e-01 -9.5920500000e-01
-ENERGY -1.526614090960e+02
-FORCES -5.1980000000e-04 -4.8320000000e-03 -2.1628000000e-03 -3.9694000000e-03 -8.6700000000e-04  3.2545000000e-03 -5.3600000000e-05  3.4203000000e-03 -3.8263000000e-03  9.6325000000e-03  5.9532000000e-03  8.2972000000e-03 -8.2050000000e-03 -2.6128000000e-03 -6.8513000000e-03  3.1153000000e-03 -1.0617000000e-03  1.2887000000e-03
-
-JOB 15
-COORDS -4.3644500000e-01 -7.2377000000e-02 -1.3276650000e+00 -3.9529200000e-01  7.6549800000e-01 -1.7886470000e+00 -2.6334600000e-01  1.4845400000e-01 -4.1251400000e-01  4.3315100000e-01 -1.4003000000e-02  1.2388050000e+00 -2.4190500000e-01 -2.0955100000e-01  1.8886450000e+00  9.6647200000e-01  6.6926900000e-01  1.6449330000e+00
-ENERGY -1.526595002513e+02
-FORCES  5.1816000000e-03  1.9751000000e-03  1.2514000000e-02  7.0080000000e-04 -1.9432000000e-03  2.9240000000e-03 -5.5415000000e-03  6.9630000000e-04 -8.8864000000e-03 -3.8640000000e-04  5.1210000000e-04 -7.9080000000e-04  3.5833000000e-03  2.0852000000e-03 -3.9817000000e-03 -3.5378000000e-03 -3.3255000000e-03 -1.7792000000e-03
-
-JOB 16
-COORDS  1.9858400000e-01 -3.8955500000e-01 -1.2345530000e+00  1.8363300000e-01 -1.3412690000e+00 -1.1333180000e+00  6.8919300000e-01 -2.4189600000e-01 -2.0430900000e+00 -2.3162000000e-01  3.7436100000e-01  1.3163970000e+00 -2.5654300000e-01  1.2799890000e+00  1.6253460000e+00 -1.3709700000e-01  4.4730100000e-01  3.6667200000e-01
-ENERGY -1.526604251036e+02
-FORCES  1.1579000000e-03 -2.0793000000e-03  4.2998000000e-03  6.8440000000e-04  4.6161000000e-03 -2.5823000000e-03 -2.0793000000e-03 -1.8358000000e-03  3.4486000000e-03  2.0239000000e-03 -8.3430000000e-04 -1.1116100000e-02  6.4460000000e-04 -2.3838000000e-03 -2.9029000000e-03 -2.4315000000e-03  2.5171000000e-03  8.8529000000e-03
-
-JOB 17
-COORDS  5.4844100000e-01 -1.1640440000e+00  2.4760000000e-01  1.4300370000e+00 -1.2247870000e+00  6.1547500000e-01  4.9209400000e-01 -1.8989200000e+00 -3.6314800000e-01 -5.6739700000e-01  1.2500370000e+00 -2.7980800000e-01 -3.2062300000e-01  3.8016000000e-01  3.4276000000e-02 -1.3513580000e+00  1.4729500000e+00  2.2213500000e-01
-ENERGY -1.526609815553e+02
-FORCES  8.3110000000e-04  3.8042000000e-03 -3.0585000000e-03 -4.1063000000e-03 -1.3500000000e-03 -2.3007000000e-03  1.5213000000e-03  2.8039000000e-03  3.6492000000e-03  4.2424000000e-03 -1.1537200000e-02  3.4257000000e-03 -5.1814000000e-03  8.6099000000e-03 -8.1690000000e-04  2.6930000000e-03 -2.3308000000e-03 -8.9880000000e-04
-
-JOB 18
-COORDS -5.1694500000e-01 -5.4155100000e-01  1.2066170000e+00 -8.3805500000e-01 -1.3876080000e+00  8.9467600000e-01 -3.8070100000e-01 -2.8152000000e-02  4.1031800000e-01  5.1376200000e-01  5.3098500000e-01 -1.0725720000e+00  2.3300900000e-01  2.5855200000e-01 -1.9461800000e+00  1.0419930000e+00  1.3147780000e+00 -1.2238050000e+00
-ENERGY -1.526589468055e+02
-FORCES  5.2616000000e-03  3.4560000000e-03 -1.2545800000e-02  7.6170000000e-04  2.5164000000e-03  7.8300000000e-05 -4.8151000000e-03 -2.9511000000e-03  6.4243000000e-03 -9.6900000000e-05 -2.4270000000e-04  2.3448000000e-03  1.5686000000e-03  1.4187000000e-03  4.5115000000e-03 -2.6799000000e-03 -4.1973000000e-03 -8.1310000000e-04
-
-JOB 19
-COORDS -1.3804670000e+00  2.9489100000e-01 -2.8338000000e-01 -5.6893200000e-01 -2.0151600000e-01 -1.7744100000e-01 -1.1502510000e+00  1.1883810000e+00 -2.8607000000e-02  1.2923550000e+00 -2.6448400000e-01  2.2251200000e-01  1.7378890000e+00 -1.6673400000e-01  1.0640440000e+00  1.2865550000e+00 -1.2081500000e+00  6.2223000000e-02
-ENERGY -1.526572172501e+02
-FORCES  1.5155700000e-02  2.0165000000e-03  3.7173000000e-03 -5.6748000000e-03 -5.5857000000e-03 -2.9825000000e-03 -2.7599000000e-03 -1.2203000000e-03 -3.8150000000e-04 -1.1059000000e-03 -6.6170000000e-04  3.2496000000e-03 -1.6937000000e-03 -6.8570000000e-04 -4.5880000000e-03 -3.9215000000e-03  6.1369000000e-03  9.8510000000e-04
-
-JOB 20
-COORDS -1.8516400000e-01  1.8646800000e-01 -1.3084710000e+00 -1.5444000000e-01 -5.5596000000e-01 -1.9118690000e+00  4.9744200000e-01  7.7943000000e-01 -1.6225990000e+00  1.1984100000e-01 -1.3233800000e-01  1.4060080000e+00  7.7059900000e-01 -8.0814400000e-01  1.5958260000e+00 -9.3754000000e-02 -2.5779800000e-01  4.8141700000e-01
-ENERGY -1.526599311158e+02
-FORCES  4.0448000000e-03  2.1605000000e-03  8.2840000000e-04  9.3430000000e-04  3.3493000000e-03  4.2847000000e-03 -3.4526000000e-03 -4.0043000000e-03 -6.2400000000e-05 -6.4810000000e-04 -2.3460000000e-04 -1.2955400000e-02 -1.8441000000e-03  1.9535000000e-03 -1.9990000000e-03  9.6560000000e-04 -3.2243000000e-03  9.9037000000e-03
-
-JOB 21
-COORDS  1.2077210000e+00  2.5213800000e-01 -6.6284500000e-01  2.0366310000e+00 -1.3071500000e-01 -3.7550500000e-01  5.5449700000e-01 -1.1523500000e-01 -6.7390000000e-02 -1.2410520000e+00 -1.8671200000e-01  5.5394700000e-01 -1.0447140000e+00 -1.0947970000e+00  7.8430400000e-01 -1.0460000000e+00  3.1000800000e-01  1.3485880000e+00
-ENERGY -1.526554599928e+02
-FORCES -9.4630000000e-03 -1.9698000000e-03  4.2185000000e-03 -5.0612000000e-03  4.1750000000e-04  7.3860000000e-04  1.0061300000e-02 -2.0640000000e-03  5.2280000000e-04 -1.0293000000e-03  6.5560000000e-04  2.7224000000e-03  3.9775000000e-03  6.7298000000e-03 -2.8413000000e-03  1.5146000000e-03 -3.7691000000e-03 -5.3610000000e-03
-
-JOB 22
-COORDS  1.1285250000e+00  2.2691800000e-01 -8.4090300000e-01  4.0035500000e-01 -6.4028000000e-02 -2.9194900000e-01  1.7502360000e+00  6.1827100000e-01 -2.2726700000e-01 -1.0539060000e+00 -2.5237600000e-01  7.9007400000e-01 -1.3818110000e+00  6.3537900000e-01  6.4653700000e-01 -1.8116090000e+00 -8.1617900000e-01  6.3437100000e-01
-ENERGY -1.526609365489e+02
-FORCES -8.0397000000e-03 -4.0995000000e-03  9.7001000000e-03  6.6604000000e-03  5.2427000000e-03 -6.0816000000e-03 -2.7070000000e-03 -5.6670000000e-04 -1.4113000000e-03 -1.9600000000e-03  9.0180000000e-04 -2.9878000000e-03  2.9322000000e-03 -5.3882000000e-03 -5.5400000000e-05  3.1141000000e-03  3.9099000000e-03  8.3600000000e-04
-
-JOB 23
-COORDS -3.1327700000e-01 -8.1909900000e-01  1.1225500000e+00 -1.9984900000e-01 -2.5291300000e-01  3.5913700000e-01 -1.0608600000e-01 -2.5834900000e-01  1.8701220000e+00  2.4459500000e-01  7.8966300000e-01 -1.0855180000e+00  1.8652200000e-01  5.4465800000e-01 -2.0090070000e+00  1.0772270000e+00  4.2044800000e-01 -7.9117600000e-01
-ENERGY -1.526583160930e+02
-FORCES -1.6629000000e-03  8.9161000000e-03 -7.4404000000e-03  7.0463000000e-03 -5.3452000000e-03  6.6710000000e-03  4.8110000000e-04 -1.3542000000e-03 -3.4116000000e-03  1.4693000000e-03 -3.5240000000e-03 -2.6566000000e-03  1.5109000000e-03  1.4001000000e-03  4.6523000000e-03 -8.8446000000e-03 -9.2800000000e-05  2.1853000000e-03
-
-JOB 24
-COORDS  7.1513800000e-01 -4.1650900000e-01 -1.0526060000e+00  6.0671700000e-01 -1.3652200000e+00 -1.1191210000e+00  1.5802790000e+00 -2.4709900000e-01 -1.4255200000e+00 -7.8680100000e-01  4.0645800000e-01  1.1052430000e+00 -8.6143600000e-01  1.3085130000e+00  1.4166250000e+00 -2.4654200000e-01  4.6841700000e-01  3.1751700000e-01
-ENERGY -1.526606500212e+02
-FORCES -1.7870000000e-04 -3.4538000000e-03  2.7776000000e-03  2.1412000000e-03  4.4250000000e-03 -1.2180000000e-03 -3.8725000000e-03 -1.4062000000e-03  1.5903000000e-03  5.9130000000e-03 -9.8920000000e-04 -8.1732000000e-03  1.6421000000e-03 -2.5964000000e-03 -2.3213000000e-03 -5.6452000000e-03  4.0205000000e-03  7.3446000000e-03
-
-JOB 25
-COORDS  4.2089100000e-01  1.2310670000e+00  2.7610600000e-01  1.2526090000e+00  1.2884120000e+00  7.4641300000e-01  1.9345500000e-01  2.1397400000e+00  7.9083000000e-02 -4.4593900000e-01 -1.3002740000e+00 -3.5705200000e-01 -7.1298600000e-01 -1.9326120000e+00  3.1008000000e-01 -4.3246800000e-01 -4.5973500000e-01  1.0070800000e-01
-ENERGY -1.526597367488e+02
-FORCES  1.9127000000e-03 -6.2760000000e-04 -1.2706000000e-03 -4.2785000000e-03  9.8590000000e-04 -1.7771000000e-03  2.2325000000e-03 -3.8532000000e-03  1.3326000000e-03  1.7787000000e-03  9.1018000000e-03  3.4228000000e-03  1.6445000000e-03  3.3839000000e-03 -1.2361000000e-03 -3.2900000000e-03 -8.9907000000e-03 -4.7170000000e-04
-
-JOB 26
-COORDS -9.3566800000e-01 -6.8270600000e-01  7.3690100000e-01 -1.8404560000e+00 -3.7152600000e-01  7.6443600000e-01 -9.5288200000e-01 -1.4166120000e+00  1.2263900000e-01  1.0463490000e+00  7.2409400000e-01 -6.7606100000e-01  8.1249200000e-01  6.7949200000e-01 -1.6031820000e+00  2.4654400000e-01  4.7222600000e-01 -2.1442700000e-01
-ENERGY -1.526595437371e+02
-FORCES -1.5449000000e-03 -3.6336000000e-03 -1.4637000000e-03  5.4308000000e-03 -1.0595000000e-03 -1.6276000000e-03 -4.4670000000e-04  5.4391000000e-03  2.1435000000e-03 -9.3518000000e-03 -4.7065000000e-03  4.9395000000e-03 -2.9050000000e-04 -1.0417000000e-03  3.3741000000e-03  6.2031000000e-03  5.0023000000e-03 -7.3657000000e-03
-
-JOB 27
-COORDS  2.2013000000e-01  3.5695900000e-01  1.3770190000e+00 -1.2508600000e-01 -9.9282000000e-02  6.0962000000e-01  2.3372400000e-01 -3.0788500000e-01  2.0655160000e+00 -1.3526400000e-01 -2.9204800000e-01 -1.3685260000e+00 -6.8431500000e-01  4.9050700000e-01 -1.4173260000e+00 -7.5582200000e-01 -1.0208380000e+00 -1.3661620000e+00
-ENERGY -1.526574016581e+02
-FORCES  5.8310000000e-04 -4.9767000000e-03 -8.4239000000e-03 -3.9371000000e-03  2.2796000000e-03  9.2154000000e-03 -5.3400000000e-04  1.2933000000e-03 -3.7903000000e-03 -2.6240000000e-03  2.5589000000e-03 -3.5042000000e-03  2.7612000000e-03 -5.5249000000e-03  2.6052000000e-03  3.7508000000e-03  4.3698000000e-03  3.8978000000e-03
-
-JOB 28
-COORDS -4.2305300000e-01 -8.8749100000e-01  9.7145100000e-01 -3.3359900000e-01 -4.5060200000e-01  1.8184210000e+00  1.8185600000e-01 -1.6278470000e+00  1.0182360000e+00  4.1168400000e-01  8.7677100000e-01 -1.0743270000e+00  2.5151700000e-01  1.8070220000e+00 -9.1554900000e-01  8.4233000000e-02  4.3931200000e-01 -2.8842800000e-01
-ENERGY -1.526605324515e+02
-FORCES  3.5778000000e-03 -3.0708000000e-03  1.5356000000e-03  3.2920000000e-04 -7.6570000000e-04 -5.7342000000e-03 -3.3131000000e-03  3.9922000000e-03  9.3200000000e-04 -4.7359000000e-03 -5.6013000000e-03  8.0321000000e-03  7.5200000000e-05 -3.5512000000e-03  1.2509000000e-03  4.0668000000e-03  8.9968000000e-03 -6.0164000000e-03
-
-JOB 29
-COORDS -9.8886500000e-01 -6.3421500000e-01  7.5040300000e-01 -1.5902040000e+00 -9.5552600000e-01  7.8554000000e-02 -1.4618190000e+00  8.2879000000e-02  1.1726860000e+00  1.0698150000e+00  6.7895600000e-01 -7.2271200000e-01  4.8702300000e-01  1.2809600000e-01 -2.0008700000e-01  1.2962820000e+00  1.3838000000e-01 -1.4794960000e+00
-ENERGY -1.526611650392e+02
-FORCES -4.5266000000e-03  3.1473000000e-03 -1.0498000000e-03  3.8088000000e-03  2.0142000000e-03  2.8674000000e-03  2.1794000000e-03 -4.0309000000e-03 -2.6705000000e-03 -6.8042000000e-03 -7.5840000000e-03  5.0772000000e-03  7.2395000000e-03  5.4008000000e-03 -6.6652000000e-03 -1.8968000000e-03  1.0526000000e-03  2.4409000000e-03
-
-JOB 30
-COORDS -5.9888800000e-01  2.7342200000e-01 -1.2325970000e+00 -8.3005400000e-01  1.1978190000e+00 -1.3236130000e+00 -1.4161220000e+00 -1.5426000000e-01 -9.7676800000e-01  7.3181400000e-01 -3.0732800000e-01  1.2437710000e+00  3.8295300000e-01 -8.7501000000e-02  3.7994000000e-01 -4.3241000000e-02 -4.7205400000e-01  1.7807870000e+00
-ENERGY -1.526599223548e+02
-FORCES -4.1512000000e-03  2.2969000000e-03 -4.0160000000e-04  6.8660000000e-04 -5.2546000000e-03  1.1488000000e-03  5.2754000000e-03  2.6890000000e-03  9.6590000000e-04 -6.4028000000e-03  2.2395000000e-03 -9.3876000000e-03  3.0256000000e-03 -2.4972000000e-03  1.0119600000e-02  1.5665000000e-03  5.2650000000e-04 -2.4451000000e-03
-
-JOB 31
-COORDS  1.2315780000e+00 -6.0360200000e-01  2.5051400000e-01  2.1420560000e+00 -3.3994500000e-01  1.1729600000e-01  9.8910300000e-01 -1.0480010000e+00 -5.6185700000e-01 -1.3002560000e+00  5.8457600000e-01 -2.4672500000e-01 -1.5892110000e+00  1.3763380000e+00  2.0698100000e-01 -5.0053600000e-01  3.2435500000e-01  2.1040100000e-01
-ENERGY -1.526611763788e+02
-FORCES  2.2104000000e-03  2.8000000000e-04 -4.9211000000e-03 -3.7911000000e-03 -2.0407000000e-03 -5.4000000000e-05  1.0868000000e-03  3.2724000000e-03  5.0013000000e-03  7.7362000000e-03 -5.2450000000e-04  4.7764000000e-03  1.9291000000e-03 -2.4165000000e-03 -1.0072000000e-03 -9.1715000000e-03  1.4293000000e-03 -3.7955000000e-03
-
-JOB 32
-COORDS -8.9541900000e-01 -1.1500250000e+00 -2.6510000000e-02 -4.0362500000e-01 -3.3236000000e-01  4.9620000000e-02 -1.7530170000e+00 -8.8425600000e-01 -3.5836000000e-01  8.5490500000e-01  1.0965720000e+00  5.3121000000e-02  1.2970950000e+00  1.2933400000e+00 -7.7270100000e-01  1.5521730000e+00  7.8582100000e-01  6.3060100000e-01
-ENERGY -1.526618779585e+02
-FORCES  4.1621000000e-03  1.0526700000e-02 -4.4340000000e-04 -5.9024000000e-03 -9.2727000000e-03  1.0256000000e-03  2.9831000000e-03 -1.3830000000e-04  5.4200000000e-04  4.2970000000e-03 -1.5428000000e-03 -1.9789000000e-03 -1.6069000000e-03 -6.9780000000e-04  4.5063000000e-03 -3.9329000000e-03  1.1249000000e-03 -3.6516000000e-03
-
-JOB 33
-COORDS  1.4028190000e+00 -4.0419900000e-01 -1.7888400000e-01  1.3004320000e+00 -1.3491710000e+00 -6.5847000000e-02  5.3576100000e-01 -4.4715000000e-02  8.7640000000e-03 -1.3344620000e+00  4.0653000000e-01  2.2971200000e-01 -1.1606300000e+00  1.3010920000e+00 -6.3159000000e-02 -1.7297780000e+00 -2.1987000000e-02 -5.2945200000e-01
-ENERGY -1.526600720586e+02
-FORCES -1.1713800000e-02 -4.4670000000e-04  4.2677000000e-03  2.3590000000e-04  2.5914000000e-03 -1.0577000000e-03  9.4635000000e-03  6.8020000000e-04 -4.2037000000e-03 -2.9795000000e-03  1.7520000000e-03 -4.3716000000e-03  1.7309000000e-03 -6.5441000000e-03  1.2810000000e-03  3.2629000000e-03  1.9673000000e-03  4.0843000000e-03
-
-JOB 34
-COORDS -1.3434080000e+00 -5.4235700000e-01 -3.0920900000e-01 -4.3034000000e-01 -3.2857300000e-01 -1.1728500000e-01 -1.8238500000e+00  2.6305800000e-01 -1.1759600000e-01  1.2688970000e+00  4.4577600000e-01  3.1767500000e-01  1.8481480000e+00  9.2169000000e-02 -3.5735300000e-01  1.5405620000e+00  1.3586630000e+00  4.1289300000e-01
-ENERGY -1.526604075364e+02
-FORCES  9.0389000000e-03  7.2794000000e-03  4.3060000000e-03 -6.4721000000e-03 -5.6702000000e-03 -4.0869000000e-03  7.7110000000e-04 -2.1289000000e-03 -7.2120000000e-04  1.1437000000e-03  3.0779000000e-03 -1.8979000000e-03 -4.1503000000e-03  1.9379000000e-03  3.2679000000e-03 -3.3120000000e-04 -4.4960000000e-03 -8.6790000000e-04
-
-JOB 35
-COORDS -9.4920200000e-01 -8.2288100000e-01 -6.7148600000e-01 -8.0586600000e-01 -4.3134200000e-01 -1.5331030000e+00 -3.6624400000e-01 -1.5818560000e+00 -6.5279200000e-01  9.4592100000e-01  8.2149700000e-01  7.7473800000e-01  1.4625300000e-01  4.2628200000e-01  4.2750900000e-01  1.0917330000e+00  1.5910870000e+00  2.2455600000e-01
-ENERGY -1.526602759886e+02
-FORCES  4.0594000000e-03 -3.4847000000e-03 -4.0720000000e-03  2.0710000000e-04 -6.2140000000e-04  5.3223000000e-03 -3.1617000000e-03  4.5113000000e-03 -2.6580000000e-04 -8.3146000000e-03 -3.0039000000e-03 -5.5030000000e-03  8.1282000000e-03  5.7201000000e-03  3.7598000000e-03 -9.1840000000e-04 -3.1214000000e-03  7.5860000000e-04
-
-JOB 36
-COORDS -3.3085300000e-01 -1.2462310000e+00  7.2048500000e-01  1.6270000000e-02 -4.3524300000e-01  3.4895200000e-01 -9.1335100000e-01 -1.5903690000e+00  4.3362000000e-02  3.8154100000e-01  1.1841870000e+00 -6.2567100000e-01  3.5194000000e-02  9.9990700000e-01 -1.4987780000e+00  6.7412000000e-02  2.0655960000e+00 -4.2399200000e-01
-ENERGY -1.526601541062e+02
-FORCES  1.6011000000e-03  9.2917000000e-03 -6.2114000000e-03 -2.4998000000e-03 -9.3649000000e-03  3.0041000000e-03  1.8264000000e-03  1.4542000000e-03  1.3077000000e-03 -3.1144000000e-03  2.6993000000e-03 -9.8080000000e-04  7.6540000000e-04 -8.9000000000e-06  5.2576000000e-03  1.4212000000e-03 -4.0714000000e-03 -2.3771000000e-03
-
-JOB 37
-COORDS  4.0147000000e-02 -1.2387570000e+00 -6.7068800000e-01 -6.8301100000e-01 -1.8652130000e+00 -6.4194100000e-01 -6.0655000000e-02 -7.9432900000e-01 -1.5124450000e+00 -2.8170000000e-02  1.3061520000e+00  6.9958300000e-01  7.7894500000e-01  1.2222450000e+00  1.2072800000e+00 -2.5567500000e-01  4.0769700000e-01  4.6030800000e-01
-ENERGY -1.526609218759e+02
-FORCES -9.6470000000e-04 -6.4630000000e-04 -5.2547000000e-03  3.1323000000e-03  4.3527000000e-03  2.8060000000e-04 -4.9140000000e-04 -2.5883000000e-03  5.1475000000e-03  3.0872000000e-03 -1.0698400000e-02 -1.8388000000e-03 -2.4327000000e-03  8.1380000000e-04 -1.3353000000e-03 -2.3308000000e-03  8.7665000000e-03  3.0008000000e-03
-
-JOB 38
-COORDS -4.3855200000e-01  7.8665100000e-01  1.1730340000e+00 -2.6074700000e-01  2.0141400000e-01  4.3674900000e-01 -9.8259000000e-01  1.4811400000e+00  8.0163200000e-01  4.2122300000e-01 -7.7433300000e-01 -1.0494070000e+00  1.0093030000e+00 -2.4911100000e-01 -1.5921190000e+00  4.4219600000e-01 -1.6451730000e+00 -1.4461820000e+00
-ENERGY -1.526612274796e+02
-FORCES  6.3080000000e-04 -5.0577000000e-03 -8.5634000000e-03 -2.2941000000e-03  6.6700000000e-03  6.5446000000e-03  2.1670000000e-03 -2.0400000000e-03  4.7620000000e-04  1.7130000000e-03 -1.0202000000e-03 -7.4770000000e-04 -3.3087000000e-03 -3.0848000000e-03  1.9156000000e-03  1.0919000000e-03  4.5328000000e-03  3.7470000000e-04
-
-JOB 39
-COORDS  1.4108010000e+00 -4.3482900000e-01  8.1285000000e-02  1.3159670000e+00 -1.2502540000e+00  5.7354600000e-01  5.7757300000e-01 -3.3404100000e-01 -3.7893700000e-01 -1.3215420000e+00  4.8051100000e-01 -2.0184000000e-02 -1.5846940000e+00 -3.3057700000e-01 -4.5506300000e-01 -1.6511210000e+00  1.1758830000e+00 -5.8945200000e-01
-ENERGY -1.526546053747e+02
-FORCES -9.8632000000e-03  2.1117000000e-03  2.0939000000e-03 -2.0220000000e-04  2.5225000000e-03 -2.2480000000e-03  4.8103000000e-03 -5.8603000000e-03 -2.7237000000e-03 -3.0908000000e-03  1.7045000000e-03 -1.6176000000e-03  6.3606000000e-03  3.5165000000e-03  1.8304000000e-03  1.9854000000e-03 -3.9949000000e-03  2.6650000000e-03
-
-JOB 40
-COORDS -5.4300800000e-01 -1.0063740000e+00  7.7225700000e-01 -6.6714500000e-01 -1.6572920000e+00  8.1513000000e-02 -9.1260100000e-01 -1.4140950000e+00  1.5554540000e+00  5.5812800000e-01  1.1319120000e+00 -7.6335400000e-01  1.3204690000e+00  7.8357400000e-01 -1.2256620000e+00  3.1570000000e-02  3.6057500000e-01 -5.5357200000e-01
-ENERGY -1.526562219380e+02
-FORCES -1.4408000000e-03 -1.4135000000e-03  3.2339000000e-03  1.7487000000e-03  6.1560000000e-03  1.7059000000e-03  1.9142000000e-03  4.0800000000e-04 -4.0622000000e-03 -1.1580000000e-03 -7.1986000000e-03  5.4015000000e-03 -3.0184000000e-03  4.1710000000e-04  1.4583000000e-03  1.9544000000e-03  1.6309000000e-03 -7.7375000000e-03
-
-JOB 41
-COORDS  7.8538100000e-01 -8.4927400000e-01  8.3589000000e-01  8.5211700000e-01 -5.7688500000e-01  1.7510850000e+00 -2.6388000000e-02 -1.3547970000e+00  7.9454000000e-01 -8.1298500000e-01  8.7079300000e-01 -8.6665900000e-01 -3.3729200000e-01  1.2714630000e+00 -1.5942650000e+00 -1.5819400000e-01  3.3669900000e-01 -4.1696500000e-01
-ENERGY -1.526611645027e+02
-FORCES -2.3996000000e-03 -1.0966000000e-03  5.5864000000e-03 -5.5230000000e-04 -2.1098000000e-03 -4.3164000000e-03  4.1559000000e-03  5.5004000000e-03 -1.4032000000e-03  8.4851000000e-03 -3.2622000000e-03  3.2175000000e-03 -9.5390000000e-04 -1.4751000000e-03  2.6856000000e-03 -8.7352000000e-03  2.4434000000e-03 -5.7700000000e-03
-
-JOB 42
-COORDS  5.9242500000e-01  1.3308850000e+00  4.8083000000e-02  1.0272000000e-01  5.9417700000e-01 -3.1754200000e-01  9.1195100000e-01  1.8098180000e+00 -7.1661200000e-01 -5.4681800000e-01 -1.2788850000e+00  5.8809000000e-02 -2.5931100000e-01 -1.8649370000e+00 -6.4127300000e-01 -1.5020300000e+00 -1.3389620000e+00  4.4945000000e-02
-ENERGY -1.526589262973e+02
-FORCES -3.3619000000e-03 -7.7546000000e-03 -1.5654000000e-03  3.2588000000e-03  9.8910000000e-03 -2.4858000000e-03 -1.5734000000e-03 -3.2864000000e-03  1.9972000000e-03 -1.9326000000e-03 -4.1851000000e-03  9.4200000000e-05 -1.6817000000e-03  4.3754000000e-03  2.8081000000e-03  5.2908000000e-03  9.5970000000e-04 -8.4830000000e-04
-
-JOB 43
-COORDS -2.5987500000e-01 -3.7990400000e-01 -1.4332030000e+00  5.6423200000e-01 -3.7740100000e-01 -9.4630100000e-01 -8.2238000000e-01  2.3014100000e-01 -9.5606200000e-01  3.0969000000e-01  3.6302000000e-01  1.4047100000e+00 -2.3200300000e-01  8.6737500000e-01  7.9772900000e-01 -2.2624100000e-01 -3.9757100000e-01  1.6294580000e+00
-ENERGY -1.526519722585e+02
-FORCES  3.7107000000e-03  2.4388000000e-03  7.3299000000e-03 -4.0908000000e-03 -2.2070000000e-04 -4.3503000000e-03  1.9940000000e-03 -1.3590000000e-04  2.4752000000e-03 -5.8805000000e-03 -2.2522000000e-03 -1.4069000000e-03  1.4847000000e-03 -3.8177000000e-03 -2.6843000000e-03  2.7818000000e-03  3.9877000000e-03 -1.3635000000e-03
-
-JOB 44
-COORDS -8.2503600000e-01 -9.7970700000e-01  6.1900900000e-01 -4.7917200000e-01 -1.2475970000e+00  1.4703880000e+00 -1.5267310000e+00 -3.6320000000e-01  8.2823700000e-01  8.4252600000e-01  1.0010700000e+00 -7.3924300000e-01  2.7240400000e-01  2.6773800000e-01 -5.0812300000e-01  1.4782310000e+00  1.0452050000e+00 -2.4986000000e-02
-ENERGY -1.526603073160e+02
-FORCES -1.2553000000e-03  1.2061000000e-03  5.1770000000e-03 -1.7933000000e-03  1.9737000000e-03 -3.8868000000e-03  4.7814000000e-03 -2.7612000000e-03 -1.4271000000e-03 -3.1751000000e-03 -8.6973000000e-03  6.6455000000e-03  3.0987000000e-03  7.9071000000e-03 -4.6542000000e-03 -1.6565000000e-03  3.7170000000e-04 -1.8545000000e-03
-
-JOB 45
-COORDS -1.0703300000e+00  7.0665700000e-01  7.6812800000e-01 -3.6474800000e-01  2.0817600000e-01  3.5593400000e-01 -6.6776400000e-01  1.0950000000e+00  1.5448920000e+00  9.7970400000e-01 -6.4848300000e-01 -7.4504300000e-01  5.6500200000e-01 -1.4571960000e+00 -1.0454400000e+00  1.8571390000e+00 -6.7256000000e-01 -1.1268280000e+00
-ENERGY -1.526607634872e+02
-FORCES  9.0992000000e-03 -2.3864000000e-03 -2.5623000000e-03 -8.1739000000e-03  1.1312000000e-03  4.3674000000e-03 -1.0151000000e-03 -1.0180000000e-03 -2.3760000000e-03  1.8545000000e-03 -5.3800000000e-04 -2.2009000000e-03  2.2383000000e-03  4.3891000000e-03  1.8779000000e-03 -4.0030000000e-03 -1.5779000000e-03  8.9390000000e-04
-
-JOB 46
-COORDS -8.4364800000e-01  4.4761000000e-01 -1.1581730000e+00 -2.5262100000e-01  5.0390500000e-01 -1.9090060000e+00 -2.9264400000e-01  1.3135100000e-01 -4.4220800000e-01  7.2115500000e-01 -3.9904500000e-01  1.1548640000e+00  1.5998320000e+00 -1.9411000000e-02  1.1609500000e+00  8.6592200000e-01 -1.3406950000e+00  1.2474350000e+00
-ENERGY -1.526611425399e+02
-FORCES  6.7769000000e-03 -2.8720000000e-03  6.5417000000e-03 -1.1073000000e-03 -3.3390000000e-04  2.9023000000e-03 -4.9898000000e-03  2.8517000000e-03 -9.6016000000e-03  3.7589000000e-03 -2.2069000000e-03  2.0931000000e-03 -4.4261000000e-03 -2.5563000000e-03 -9.9840000000e-04 -1.2600000000e-05  5.1174000000e-03 -9.3720000000e-04
-
-JOB 47
-COORDS -1.1623590000e+00 -8.4444200000e-01  1.1921200000e-01 -1.7753720000e+00 -2.4224200000e-01  5.4087700000e-01 -1.4524050000e+00 -8.8299900000e-01 -7.9217100000e-01  1.2372260000e+00  8.5152900000e-01 -4.2627000000e-02  1.5971300000e+00  7.7310900000e-01 -9.2611500000e-01  4.9454300000e-01  2.4776500000e-01 -3.1570000000e-02
-ENERGY -1.526608113008e+02
-FORCES -6.0645000000e-03  1.2215000000e-03 -7.2340000000e-04  3.7554000000e-03 -2.9400000000e-03 -2.9452000000e-03  3.0411000000e-03  1.3571000000e-03  4.5111000000e-03 -6.4114000000e-03 -7.3726000000e-03 -1.1773000000e-03 -2.1578000000e-03 -1.7380000000e-04  2.4453000000e-03  7.8372000000e-03  7.9079000000e-03 -2.1104000000e-03
-
-JOB 48
-COORDS -2.5947800000e-01 -9.7827800000e-01 -1.1143440000e+00  5.5839500000e-01 -1.1586560000e+00 -1.5777860000e+00  1.3810000000e-02 -5.5018700000e-01 -3.0299700000e-01  1.9208700000e-01  8.9292200000e-01  1.0813920000e+00  8.9426400000e-01  1.5010910000e+00  8.5050200000e-01 -4.8159300000e-01  1.4441720000e+00  1.4795270000e+00
-ENERGY -1.526605015682e+02
-FORCES  3.2191000000e-03  4.9203000000e-03  6.6494000000e-03 -2.1626000000e-03  1.5648000000e-03  1.9976000000e-03  3.4030000000e-04 -6.7222000000e-03 -7.7620000000e-03 -2.3404000000e-03  4.6786000000e-03 -5.5850000000e-04 -3.2311000000e-03 -3.1142000000e-03  9.3530000000e-04  4.1748000000e-03 -1.3273000000e-03 -1.2618000000e-03
-
-JOB 49
-COORDS -3.4903700000e-01 -1.3513380000e+00  2.3942400000e-01  2.6107800000e-01 -1.8331180000e+00 -3.1903800000e-01 -1.0813180000e+00 -1.9537010000e+00  3.7040100000e-01  3.6678700000e-01  1.4724010000e+00 -1.8443600000e-01 -7.7334000000e-02  6.9816300000e-01  1.6131600000e-01  6.5078000000e-01  1.2145600000e+00 -1.0614180000e+00
-ENERGY -1.526600226176e+02
-FORCES  1.7300000000e-04 -3.8221000000e-03 -1.4924000000e-03 -3.5373000000e-03  2.1610000000e-03  2.0366000000e-03  3.9385000000e-03  2.1367000000e-03 -1.0719000000e-03 -2.7920000000e-03 -9.7303000000e-03 -8.1350000000e-04  2.1627000000e-03  8.2679000000e-03 -8.9090000000e-04  5.5200000000e-05  9.8680000000e-04  2.2321000000e-03
-
-JOB 50
-COORDS  3.3479300000e-01 -1.3940690000e+00  3.3177500000e-01  1.1154410000e+00 -1.4547450000e+00 -2.1880500000e-01 -3.6097200000e-01 -1.7886370000e+00 -1.9401900000e-01 -3.4951100000e-01  1.4696800000e+00 -2.1848300000e-01 -5.4327300000e-01  1.5328060000e+00 -1.1537390000e+00  1.9159000000e-02  5.9321100000e-01 -1.0840300000e-01
-ENERGY -1.526590422125e+02
-FORCES -3.9500000000e-04 -6.1036000000e-03 -2.2122000000e-03 -5.3704000000e-03  3.1040000000e-03  2.0397000000e-03  4.1807000000e-03  3.3438000000e-03  1.7896000000e-03  1.6987000000e-03 -8.3449000000e-03  2.5200000000e-04  8.4410000000e-04 -1.4693000000e-03  3.1524000000e-03 -9.5810000000e-04  9.4701000000e-03 -5.0215000000e-03
-
-JOB 51
-COORDS  1.2008960000e+00 -7.9815500000e-01  1.9714400000e-01  1.7413160000e+00 -5.0796400000e-01  9.3197000000e-01  1.6514980000e+00 -4.6446100000e-01 -5.7863800000e-01 -1.2319010000e+00  8.2065000000e-01 -1.7559200000e-01 -8.5274900000e-01 -5.4392000000e-02 -9.3269000000e-02 -2.0844380000e+00  6.7517900000e-01 -5.8577500000e-01
-ENERGY -1.526600915024e+02
-FORCES  4.3815000000e-03  5.0066000000e-03  4.7250000000e-04 -1.3682000000e-03 -1.6749000000e-03 -3.5698000000e-03 -1.7963000000e-03 -2.2069000000e-03  3.5074000000e-03  2.5514000000e-03 -5.7326000000e-03  8.7860000000e-04 -7.6565000000e-03  5.0808000000e-03 -2.5419000000e-03  3.8880000000e-03 -4.7290000000e-04  1.2532000000e-03
-
-JOB 52
-COORDS  5.1836000000e-02 -7.8909300000e-01 -1.2606830000e+00  3.9164200000e-01  1.4130000000e-02 -1.6551410000e+00  8.3259500000e-01 -1.2967120000e+00 -1.0393900000e+00 -7.4781000000e-02  7.6718400000e-01  1.3216240000e+00 -6.8190900000e-01  1.4645300000e+00  1.0739630000e+00 -2.0626100000e-01  8.8256000000e-02  6.5980700000e-01
-ENERGY -1.526603786056e+02
-FORCES  6.1790000000e-03  1.0451000000e-03 -3.4754000000e-03 -2.3669000000e-03 -3.7675000000e-03  2.7055000000e-03 -4.4490000000e-03  3.1650000000e-03  2.7100000000e-05 -3.9791000000e-03 -3.5905000000e-03 -7.5197000000e-03  2.5642000000e-03 -1.9128000000e-03  3.3500000000e-04  2.0518000000e-03  5.0607000000e-03  7.9276000000e-03
-
-JOB 53
-COORDS  4.5171800000e-01  1.4644420000e+00  5.0586000000e-02  1.9497700000e-01  5.4466800000e-01 -1.5226000000e-02 -3.7491000000e-01  1.9465380000e+00  2.8185000000e-02 -4.1242700000e-01 -1.3763130000e+00 -5.2570000000e-02 -2.1552500000e-01 -2.0039430000e+00 -7.4794100000e-01 -1.8046700000e-01 -1.8332640000e+00  7.5589900000e-01
-ENERGY -1.526621926391e+02
-FORCES -5.5191000000e-03 -7.5567000000e-03 -1.0570000000e-03  3.3922000000e-03  9.7679000000e-03  1.3853000000e-03  2.4985000000e-03 -1.4140000000e-03  1.2120000000e-04  1.6408000000e-03 -4.9471000000e-03 -3.5200000000e-05 -1.0394000000e-03  2.1712000000e-03  4.0409000000e-03 -9.7310000000e-04  1.9787000000e-03 -4.4551000000e-03
-
-JOB 54
-COORDS  9.2910800000e-01 -2.8915600000e-01  1.1943830000e+00  4.7821000000e-01  4.9121000000e-02  4.2076100000e-01  1.1568880000e+00 -1.1900260000e+00  9.6464100000e-01 -8.8307200000e-01  2.6341300000e-01 -1.1721670000e+00 -7.4412000000e-01  1.2025960000e+00 -1.2940680000e+00 -1.5667540000e+00  2.0661300000e-01 -5.0464700000e-01
-ENERGY -1.526601463312e+02
-FORCES -2.8312000000e-03 -2.1462000000e-03 -9.3245000000e-03  2.9994000000e-03  1.1065000000e-03  8.7527000000e-03 -6.7200000000e-04  2.7017000000e-03  1.5721000000e-03 -5.7238000000e-03  3.3108000000e-03 -7.5540000000e-04  5.1620000000e-04 -5.4331000000e-03  2.4295000000e-03  5.7114000000e-03  4.6030000000e-04 -2.6744000000e-03
-
-JOB 55
-COORDS  1.6223200000e-01  1.7942400000e-01 -1.5108930000e+00 -1.5415400000e-01 -5.3776000000e-01 -2.0602370000e+00 -5.0030000000e-02 -9.0923000000e-02 -6.1753500000e-01 -1.4954700000e-01 -5.4421000000e-02  1.4598620000e+00 -7.2013600000e-01 -7.7418600000e-01  1.7293010000e+00  7.3449800000e-01 -3.5999000000e-01  1.6631470000e+00
-ENERGY -1.526601186465e+02
-FORCES -2.8417000000e-03 -1.9336000000e-03  6.9753000000e-03  8.1800000000e-04  1.9448000000e-03  3.0314000000e-03  2.1350000000e-03 -1.6757000000e-03 -1.0785600000e-02  1.8732000000e-03 -2.3115000000e-03  5.9462000000e-03  3.2583000000e-03  3.1740000000e-03 -3.0382000000e-03 -5.2427000000e-03  8.0190000000e-04 -2.1292000000e-03
-
-JOB 56
-COORDS  1.1723340000e+00  6.8486900000e-01  5.5481000000e-01  1.1664280000e+00  1.5382630000e+00  9.8830300000e-01  1.6224730000e+00  1.0619400000e-01  1.1702290000e+00 -1.1978060000e+00 -7.4112000000e-01 -6.7385300000e-01 -4.5783800000e-01 -2.6612100000e-01 -2.9562600000e-01 -1.9381170000e+00 -5.2200200000e-01 -1.0802900000e-01
-ENERGY -1.526613381293e+02
-FORCES  3.2064000000e-03  2.0834000000e-03  4.1718000000e-03  3.5500000000e-04 -4.4296000000e-03 -1.2721000000e-03 -2.6742000000e-03  3.3227000000e-03 -2.6413000000e-03  4.5738000000e-03  5.4651000000e-03  4.8670000000e-03 -7.8117000000e-03 -5.8673000000e-03 -3.5478000000e-03  2.3508000000e-03 -5.7430000000e-04 -1.5777000000e-03
-
-JOB 57
-COORDS -9.2741600000e-01 -8.8675300000e-01  8.9135200000e-01 -9.0503700000e-01 -3.7051300000e-01  1.6970980000e+00 -6.1374200000e-01 -2.8779300000e-01  2.1379100000e-01  9.3340900000e-01  8.0407700000e-01 -8.4317800000e-01  4.1204000000e-01  1.5825870000e+00 -1.0389540000e+00  1.0106010000e+00  3.4972700000e-01 -1.6821300000e+00
-ENERGY -1.526589930490e+02
-FORCES  6.5651000000e-03  6.5844000000e-03 -1.8279000000e-03 -7.5450000000e-04 -1.5559000000e-03 -2.5238000000e-03 -7.8477000000e-03 -3.9573000000e-03  3.2144000000e-03  2.5681000000e-03  1.8845000000e-03 -5.6693000000e-03  9.4420000000e-04 -5.4447000000e-03  2.2796000000e-03 -1.4752000000e-03  2.4889000000e-03  4.5271000000e-03
-
-JOB 58
-COORDS  8.4229200000e-01  4.3020300000e-01 -1.2078900000e+00  1.5585000000e-01 -1.5824400000e-01 -8.9363000000e-01  1.2420740000e+00 -3.7404000000e-02 -1.9412040000e+00 -8.2193900000e-01 -3.1090600000e-01  1.2081260000e+00 -1.5318800000e-01 -8.3682600000e-01  1.6467730000e+00 -1.5919590000e+00 -8.7868300000e-01  1.1776470000e+00
-ENERGY -1.526575389865e+02
-FORCES -4.0303000000e-03 -3.1214000000e-03  1.8180000000e-03  5.3585000000e-03  6.1560000000e-04 -6.8116000000e-03 -1.9979000000e-03  1.0414000000e-03  3.5925000000e-03  8.3000000000e-05 -2.6899000000e-03  5.7449000000e-03 -3.7954000000e-03  1.6921000000e-03 -2.8889000000e-03  4.3820000000e-03  2.4622000000e-03 -1.4550000000e-03
-
-JOB 59
-COORDS -2.1249700000e-01  5.9503700000e-01 -1.4228040000e+00  6.7482300000e-01  2.3603300000e-01 -1.4193420000e+00 -7.8050600000e-01 -1.6988600000e-01 -1.5149500000e+00  1.3963400000e-01 -5.6505400000e-01  1.4487490000e+00  9.9624000000e-01 -4.8850000000e-01  1.8689840000e+00  1.9928000000e-01 -9.1800000000e-04  6.7776000000e-01
-ENERGY -1.526581434524e+02
-FORCES -6.1850000000e-04 -5.4030000000e-03 -5.0000000000e-03 -4.5920000000e-03  2.3418000000e-03  4.2359000000e-03  3.4055000000e-03  4.3879000000e-03  1.0478000000e-03  1.2526000000e-03  5.2299000000e-03 -2.7510000000e-03 -2.9137000000e-03 -5.8400000000e-05 -2.8285000000e-03  3.4661000000e-03 -6.4980000000e-03  5.2958000000e-03
-
-JOB 60
-COORDS -9.5534500000e-01  1.0921050000e+00  6.6862500000e-01 -4.7493500000e-01  4.6198700000e-01  1.3160600000e-01 -7.0409900000e-01  1.9467460000e+00  3.1834500000e-01  9.1222000000e-01 -1.0757540000e+00 -5.5799600000e-01  5.4879400000e-01 -1.9294240000e+00 -7.9337200000e-01  1.2409110000e+00 -7.1906500000e-01 -1.3832030000e+00
-ENERGY -1.526598856600e+02
-FORCES  5.7165000000e-03 -3.1280000000e-03 -3.5817000000e-03 -6.3899000000e-03  7.8058000000e-03  2.0705000000e-03 -5.2550000000e-04 -3.1321000000e-03  6.1340000000e-04  2.0666000000e-03 -5.3043000000e-03 -4.0884000000e-03  2.0028000000e-03  4.4311000000e-03  6.1050000000e-04 -2.8706000000e-03 -6.7250000000e-04  4.3757000000e-03
-
-JOB 61
-COORDS  1.0269000000e-01 -1.3969880000e+00 -8.2493800000e-01  4.6296700000e-01 -1.6769610000e+00  1.6517000000e-02 -1.7428000000e-01 -4.9252700000e-01 -6.7841100000e-01 -1.5410300000e-01  1.3979100000e+00  7.2308400000e-01  7.9024700000e-01  1.2693000000e+00  6.3423000000e-01 -3.8734200000e-01  9.2111700000e-01  1.5196390000e+00
-ENERGY -1.526576074310e+02
-FORCES -1.5777000000e-03  5.2258000000e-03  4.5622000000e-03 -7.7300000000e-04  1.4107000000e-03 -2.5486000000e-03  3.1456000000e-03 -7.1892000000e-03 -2.3888000000e-03  3.2581000000e-03  9.0730000000e-04  5.5922000000e-03 -5.6761000000e-03 -1.3973000000e-03 -4.1400000000e-04  1.6232000000e-03  1.0427000000e-03 -4.8031000000e-03
-
-JOB 62
-COORDS -8.7301000000e-01 -1.2018410000e+00  5.2541200000e-01 -4.0547600000e-01 -2.0268130000e+00  3.9477900000e-01 -6.8934400000e-01 -9.6317400000e-01  1.4340030000e+00  8.0632400000e-01  1.2067850000e+00 -6.2400200000e-01  4.2039500000e-01  1.2460770000e+00  2.5106700000e-01  1.6460400000e+00  1.6578290000e+00 -5.3642900000e-01
-ENERGY -1.526525483356e+02
-FORCES  4.0566000000e-03 -3.4799000000e-03  9.8780000000e-04 -2.6005000000e-03  2.8508000000e-03  1.2445000000e-03 -1.9920000000e-04  1.1318000000e-03 -4.2343000000e-03 -6.7200000000e-04  4.3880000000e-04  4.2868000000e-03  2.8740000000e-03  1.8628000000e-03 -2.0953000000e-03 -3.4588000000e-03 -2.8044000000e-03 -1.8960000000e-04
-
-JOB 63
-COORDS -1.4199270000e+00  5.6653600000e-01  5.6795500000e-01 -1.3532770000e+00  1.1254230000e+00  1.3421870000e+00 -5.2087900000e-01  4.9136600000e-01  2.4812100000e-01  1.3420770000e+00 -5.7872400000e-01 -5.3631700000e-01  2.2169470000e+00 -3.5638000000e-01 -8.5474700000e-01  9.3987300000e-01 -1.0624830000e+00 -1.2577330000e+00
-ENERGY -1.526603417263e+02
-FORCES  6.8039000000e-03  4.0430000000e-04  1.2561000000e-03 -1.9440000000e-04 -1.6681000000e-03 -2.6461000000e-03 -8.7182000000e-03  2.4117000000e-03  1.7537000000e-03  3.8324000000e-03 -2.7406000000e-03 -4.8133000000e-03 -3.8429000000e-03 -1.5620000000e-03  1.0945000000e-03  2.1193000000e-03  3.1547000000e-03  3.3551000000e-03
-
-JOB 64
-COORDS -7.9220500000e-01 -1.0750390000e+00  8.0670800000e-01 -1.6336370000e+00 -1.3603890000e+00  4.5061800000e-01 -9.6845300000e-01 -9.0504000000e-01  1.7320560000e+00  8.6926000000e-01  1.0907260000e+00 -9.0107900000e-01  9.8906100000e-01  1.6776980000e+00 -1.5452400000e-01  4.2285200000e-01  3.2658000000e-01 -5.3634200000e-01
-ENERGY -1.526602700339e+02
-FORCES -5.2313000000e-03 -1.6249000000e-03  3.6223000000e-03  3.8783000000e-03  1.4112000000e-03  2.0359000000e-03  3.7750000000e-04 -7.7770000000e-04 -4.2197000000e-03 -3.1180000000e-03 -3.5895000000e-03  6.4772000000e-03 -8.9000000000e-05 -1.2894000000e-03 -2.4958000000e-03  4.1825000000e-03  5.8704000000e-03 -5.4198000000e-03
-
-JOB 65
-COORDS  3.1185800000e-01 -1.6107590000e+00 -1.7734200000e-01  7.1140000000e-02 -8.7031200000e-01  3.7945700000e-01  1.0492460000e+00 -2.0210460000e+00  2.7449500000e-01 -3.8903800000e-01  1.5527940000e+00  8.3148000000e-02  3.7698700000e-01  1.2608760000e+00  5.7733500000e-01 -3.6156600000e-01  2.5079140000e+00  1.3992100000e-01
-ENERGY -1.526530701438e+02
-FORCES -2.4520000000e-04  1.4394000000e-03  3.0295000000e-03  4.5922000000e-03 -2.4882000000e-03 -4.2100000000e-04 -2.9083000000e-03  2.6289000000e-03 -1.8522000000e-03  3.4236000000e-03  5.0787000000e-03  8.2020000000e-04 -4.9957000000e-03 -2.4840000000e-03 -1.1032000000e-03  1.3350000000e-04 -4.1749000000e-03 -4.7330000000e-04
-
-JOB 66
-COORDS -2.3072600000e-01 -1.6198890000e+00  2.0398000000e-01  4.7976200000e-01 -1.6874650000e+00  8.4184600000e-01 -9.1004200000e-01 -1.1174170000e+00  6.5373900000e-01  1.9576600000e-01  1.5886660000e+00 -2.1019400000e-01 -3.1003000000e-02  2.1652650000e+00 -9.3981200000e-01  9.9570200000e-01  1.1460400000e+00 -4.9377200000e-01
-ENERGY -1.526558729724e+02
-FORCES -1.3160000000e-03  4.4113000000e-03  4.6125000000e-03 -1.9859000000e-03  3.9390000000e-04 -3.1078000000e-03  2.0367000000e-03 -4.5280000000e-03 -1.0318000000e-03  2.4937000000e-03 -1.4765000000e-03 -5.2320000000e-03  8.3050000000e-04 -2.3495000000e-03  2.9160000000e-03 -2.0591000000e-03  3.5487000000e-03  1.8430000000e-03
-
-JOB 67
-COORDS -7.9686100000e-01 -6.1131300000e-01 -1.2697330000e+00 -1.3051360000e+00 -1.0914300000e+00 -6.1599300000e-01 -1.4425680000e+00 -7.3783000000e-02 -1.7283780000e+00  8.5962300000e-01  6.6871200000e-01  1.2620070000e+00  1.4515450000e+00  5.6861000000e-02  1.6996130000e+00  2.4979900000e-01  1.0976000000e-01  7.8042700000e-01
-ENERGY -1.526566490390e+02
-FORCES -6.0841000000e-03  7.4080000000e-04 -3.2433000000e-03  4.6474000000e-03  3.7869000000e-03 -7.7600000000e-04  2.6064000000e-03 -3.1985000000e-03  1.9925000000e-03 -1.7880000000e-04 -4.6470000000e-03 -3.8303000000e-03 -2.5899000000e-03  2.0358000000e-03 -1.5943000000e-03  1.5992000000e-03  1.2821000000e-03  7.4513000000e-03
-
-JOB 68
-COORDS  9.1577300000e-01 -4.5964200000e-01  1.2972460000e+00  1.3868120000e+00  3.0586800000e-01  1.6264090000e+00  1.5293030000e+00 -8.7734600000e-01  6.9281500000e-01 -9.5192000000e-01  4.9601600000e-01 -1.2547280000e+00 -5.4306600000e-01 -3.6872700000e-01 -1.2906550000e+00 -1.8026840000e+00  3.7695800000e-01 -1.6769340000e+00
-ENERGY -1.526533531265e+02
-FORCES  3.9392000000e-03  3.7963000000e-03 -7.6650000000e-04 -1.2915000000e-03 -3.7698000000e-03 -6.5480000000e-04 -3.6620000000e-03  1.1899000000e-03  1.3601000000e-03 -1.3559000000e-03 -4.9376000000e-03  4.6010000000e-04 -1.0873000000e-03  3.1583000000e-03 -2.3585000000e-03  3.4574000000e-03  5.6290000000e-04  1.9595000000e-03
-
-JOB 69
-COORDS -4.2413000000e-02 -7.3872300000e-01  1.5782660000e+00 -3.0025400000e-01  8.9716000000e-02  1.1739900000e+00  6.6142500000e-01 -1.0693290000e+00  1.0201050000e+00  5.0792000000e-02  6.8635900000e-01 -1.4822600000e+00 -4.1482100000e-01  2.9230800000e-01 -2.2199320000e+00 -1.8824100000e-01  1.6126620000e+00 -1.5147930000e+00
-ENERGY -1.526578937725e+02
-FORCES  2.1146000000e-03  3.0087000000e-03 -7.4872000000e-03 -1.4670000000e-04 -2.0834000000e-03  4.9967000000e-03 -1.9100000000e-03 -5.2990000000e-04  3.7396000000e-03 -3.0111000000e-03  1.7977000000e-03 -5.2294000000e-03  2.2715000000e-03  2.1533000000e-03  2.9596000000e-03  6.8180000000e-04 -4.3464000000e-03  1.0206000000e-03
-
-JOB 70
-COORDS -4.5747000000e-01 -1.5981040000e+00  6.2080900000e-01 -1.6720700000e-01 -2.1868500000e+00 -7.5867000000e-02 -1.0839130000e+00 -1.0128890000e+00  1.9498700000e-01  4.2408300000e-01  1.6291080000e+00 -5.7474500000e-01  5.7182100000e-01  1.3308280000e+00  3.2271500000e-01  1.2259380000e+00  1.3930590000e+00 -1.0411590000e+00
-ENERGY -1.526571809149e+02
-FORCES -2.2173000000e-03  2.4900000000e-05 -5.7504000000e-03 -9.0650000000e-04  2.1695000000e-03  2.9202000000e-03  2.5487000000e-03 -3.3367000000e-03  3.0128000000e-03  5.0574000000e-03 -2.6259000000e-03  2.6909000000e-03 -1.2160000000e-03  2.6493000000e-03 -4.2730000000e-03 -3.2663000000e-03  1.1190000000e-03  1.3995000000e-03
-
-JOB 71
-COORDS  7.7987000000e-01  1.2432570000e+00 -1.0931200000e+00 -4.7339000000e-02  1.6121690000e+00 -7.8350400000e-01  8.3721500000e-01  3.8935400000e-01 -6.6440900000e-01 -6.7104700000e-01 -1.2080600000e+00  1.0470300000e+00 -1.2781400000e+00 -6.4838000000e-01  1.5312080000e+00 -1.2262920000e+00 -1.8828500000e+00  6.5639900000e-01
-ENERGY -1.526578023680e+02
-FORCES -3.6572000000e-03 -3.9410000000e-03  4.4653000000e-03  2.6962000000e-03 -1.9430000000e-04 -1.4332000000e-03  1.7235000000e-03  5.1144000000e-03 -3.9633000000e-03 -5.8312000000e-03 -2.2273000000e-03  1.9362000000e-03  2.6847000000e-03 -2.0095000000e-03 -2.8027000000e-03  2.3839000000e-03  3.2577000000e-03  1.7977000000e-03
-
-JOB 72
-COORDS -5.9491000000e-01  9.5333900000e-01  1.4328500000e+00 -9.1929000000e-01  4.6157300000e-01  6.7841300000e-01 -1.3427460000e+00  1.4795070000e+00  1.7159050000e+00  6.4495900000e-01 -1.0177380000e+00 -1.4131250000e+00  1.2016640000e+00 -5.5847800000e-01 -7.8432300000e-01  2.5650300000e-01 -3.2160600000e-01 -1.9429680000e+00
-ENERGY -1.526564885120e+02
-FORCES -5.1618000000e-03 -6.4160000000e-04 -9.9150000000e-04  1.8217000000e-03  4.0890000000e-03  3.2667000000e-03  2.9490000000e-03 -2.2145000000e-03 -1.4494000000e-03  3.3780000000e-03  4.2389000000e-03 -5.6930000000e-04 -3.4619000000e-03 -2.4339000000e-03 -3.3651000000e-03  4.7490000000e-04 -3.0378000000e-03  3.1086000000e-03
-
-JOB 73
-COORDS -1.2702780000e+00  1.4059080000e+00  7.2750000000e-03 -1.1434910000e+00  7.6922500000e-01 -6.9613900000e-01 -3.9731700000e-01  1.7649440000e+00  1.6621900000e-01  1.2729250000e+00 -1.4035520000e+00  5.9999000000e-02  1.1692000000e+00 -8.4935500000e-01 -7.1352500000e-01  3.9967900000e-01 -1.7629280000e+00  2.1659200000e-01
-ENERGY -1.526533087857e+02
-FORCES  4.4240000000e-03 -3.6050000000e-04 -1.3579000000e-03  1.0110000000e-04  1.6057000000e-03  2.7913000000e-03 -4.0735000000e-03 -1.3852000000e-03 -1.5088000000e-03 -4.0325000000e-03 -2.5160000000e-04 -1.7221000000e-03 -4.2340000000e-04 -1.2201000000e-03  3.3177000000e-03  4.0043000000e-03  1.6117000000e-03 -1.5202000000e-03
-
-JOB 74
-COORDS -2.8613500000e-01  1.9559060000e+00  5.8073600000e-01 -6.3273200000e-01  2.7769270000e+00  2.3141300000e-01  5.6939900000e-01  1.8593100000e+00  1.6245000000e-01  2.2726700000e-01 -1.9385520000e+00 -5.5839700000e-01  9.0508900000e-01 -2.4245210000e+00 -1.0281020000e+00  8.2143000000e-02 -2.4423310000e+00  2.4246400000e-01
-ENERGY -1.526539608146e+02
-FORCES  2.1579000000e-03  1.7676000000e-03 -3.9144000000e-03  1.3542000000e-03 -3.2066000000e-03  1.4887000000e-03 -3.1199000000e-03  1.6039000000e-03  2.1449000000e-03  1.3842000000e-03 -4.2222000000e-03  2.0246000000e-03 -2.6538000000e-03  2.4043000000e-03  1.8375000000e-03  8.7730000000e-04  1.6530000000e-03 -3.5812000000e-03
-
-JOB 75
-COORDS -5.7525000000e-01 -2.3591000000e-02  2.0920110000e+00 -1.3527350000e+00  5.2562400000e-01  2.1925670000e+00 -6.8503000000e-01 -4.4081800000e-01  1.2375520000e+00  5.6961000000e-01  2.5865000000e-02 -2.0051870000e+00  6.9338000000e-01 -5.2361000000e-01 -2.7791310000e+00  1.4160580000e+00  4.5402700000e-01 -1.8769920000e+00
-ENERGY -1.526561531716e+02
-FORCES -3.4126000000e-03  5.4200000000e-04 -4.2221000000e-03  2.9563000000e-03 -2.1057000000e-03 -5.0900000000e-05 -6.7100000000e-05  1.3131000000e-03  5.1000000000e-03  4.6260000000e-03 -9.2300000000e-05 -3.1333000000e-03 -5.1280000000e-04  2.2797000000e-03  3.2363000000e-03 -3.5898000000e-03 -1.9369000000e-03 -9.2990000000e-04
-
-JOB 76
-COORDS -9.5788000000e-02 -4.8183000000e-02 -2.1752270000e+00 -9.1584200000e-01  7.3300000000e-03 -2.6657980000e+00  4.0234800000e-01 -7.3559000000e-01 -2.6174520000e+00  1.6949800000e-01  1.1389500000e-01  2.2492250000e+00 -6.9866800000e-01  2.7206100000e-01  2.6200380000e+00  2.1985000000e-02 -5.3493800000e-01  1.5611200000e+00
-ENERGY -1.526546951657e+02
-FORCES -9.7980000000e-04 -1.9188000000e-03 -4.7188000000e-03  3.3544000000e-03 -4.0360000000e-04  2.2402000000e-03 -2.2674000000e-03  2.6961000000e-03  2.1335000000e-03 -4.0666000000e-03 -1.5955000000e-03 -2.6715000000e-03  3.3636000000e-03 -6.6420000000e-04 -1.1761000000e-03  5.9580000000e-04  1.8860000000e-03  4.1925000000e-03
-
-JOB 77
-COORDS  5.7558800000e-01 -1.6066710000e+00  1.4300420000e+00  7.7233400000e-01 -1.5528420000e+00  2.3652560000e+00  6.4508600000e-01 -2.5387210000e+00  1.2234400000e+00 -6.0204900000e-01  1.5869880000e+00 -1.4838650000e+00 -1.4387200000e-01  2.0099300000e+00 -7.5762400000e-01 -8.8311800000e-01  2.3103980000e+00 -2.0441420000e+00
-ENERGY -1.526536485038e+02
-FORCES  7.7370000000e-04 -4.0280000000e-03  2.4244000000e-03 -7.6300000000e-04  8.0800000000e-05 -3.8606000000e-03 -1.5160000000e-04  3.7434000000e-03  1.1605000000e-03  1.0780000000e-03  4.1308000000e-03  1.4443000000e-03 -2.0223000000e-03 -8.9300000000e-04 -3.3738000000e-03  1.0851000000e-03 -3.0339000000e-03  2.2052000000e-03
-
-JOB 78
-COORDS  4.5409000000e-01  2.3673440000e+00 -3.6626100000e-01 -1.3973300000e-01  1.6364370000e+00 -5.3766600000e-01  1.2730260000e+00  2.1165180000e+00 -7.9365100000e-01 -4.4426200000e-01 -2.2824530000e+00  3.5242000000e-01 -1.3584760000e+00 -2.5344670000e+00  4.8254900000e-01 -6.0350000000e-03 -2.5422180000e+00  1.1627970000e+00
-ENERGY -1.526554738570e+02
-FORCES  8.4650000000e-04 -4.8885000000e-03 -2.3772000000e-03  2.1528000000e-03  3.9775000000e-03  5.0810000000e-04 -3.0282000000e-03  1.4214000000e-03  1.6618000000e-03 -1.8869000000e-03 -2.7060000000e-03  4.2720000000e-03  3.7854000000e-03  1.2125000000e-03 -6.1510000000e-04 -1.8696000000e-03  9.8310000000e-04 -3.4496000000e-03
-
-JOB 79
-COORDS -8.9763000000e-02  5.2328500000e-01 -2.4389900000e+00 -7.0413000000e-01 -1.8225400000e-01 -2.2365100000e+00  2.7970300000e-01  7.7043800000e-01 -1.5912630000e+00  1.4347700000e-01 -4.4286500000e-01  2.3821300000e+00 -2.1507200000e-01 -9.2534400000e-01  1.6372220000e+00 -1.8725600000e-01 -9.0767700000e-01  3.1507640000e+00
-ENERGY -1.526539390035e+02
-FORCES -7.6590000000e-04 -1.2331000000e-03  4.1869000000e-03  2.5569000000e-03  2.6225000000e-03 -4.6820000000e-04 -1.8616000000e-03 -1.6092000000e-03 -3.7709000000e-03 -2.8033000000e-03 -4.2243000000e-03  1.1084000000e-03  1.5165000000e-03  2.5392000000e-03  2.2485000000e-03  1.3574000000e-03  1.9049000000e-03 -3.3046000000e-03
-
-JOB 80
-COORDS  1.1008000000e-01  2.4826730000e+00 -2.9931800000e-01  8.4772800000e-01  2.7987140000e+00 -8.2107000000e-01 -4.1474600000e-01  1.9682490000e+00 -9.1263500000e-01 -9.0093000000e-02 -2.4181750000e+00  3.8983500000e-01 -9.1525100000e-01 -2.4624520000e+00 -9.3264000000e-02  2.7436600000e-01 -3.3008010000e+00  3.2371900000e-01
-ENERGY -1.526535822915e+02
-FORCES  1.2093000000e-03 -1.6030000000e-03 -4.3600000000e-03 -3.0448000000e-03 -1.0313000000e-03  2.0416000000e-03  1.7597000000e-03  2.4607000000e-03  2.2099000000e-03 -1.8782000000e-03 -3.8990000000e-03 -1.8075000000e-03  3.4413000000e-03  4.0000000000e-04  1.7026000000e-03 -1.4873000000e-03  3.6726000000e-03  2.1330000000e-04
-
-JOB 81
-COORDS -1.6053770000e+00  2.6279900000e-01  2.4612410000e+00 -1.0005500000e+00 -1.0465900000e-01  3.1057500000e+00 -1.4164230000e+00 -2.1625600000e-01  1.6543740000e+00  1.5763530000e+00 -2.0155500000e-01 -2.3852660000e+00  2.1627070000e+00 -3.4625400000e-01 -3.1278850000e+00  6.9724100000e-01 -2.4699700000e-01 -2.7612050000e+00
-ENERGY -1.526544062446e+02
-FORCES  3.7300000000e-03 -3.3415000000e-03 -8.2860000000e-04 -2.6185000000e-03  1.4431000000e-03 -2.4315000000e-03 -1.2264000000e-03  1.8533000000e-03  3.2947000000e-03 -9.5120000000e-04 -5.0130000000e-04 -4.8756000000e-03 -2.4401000000e-03  5.4850000000e-04  3.0387000000e-03  3.5062000000e-03 -2.2000000000e-06  1.8022000000e-03
-
-JOB 82
-COORDS  5.5271900000e-01 -3.2014000000e+00  1.2131970000e+00  2.3242000000e-01 -3.2981420000e+00  3.1637900000e-01  6.0769700000e-01 -2.2552860000e+00  1.3476470000e+00 -5.5600200000e-01  3.0844890000e+00 -1.1808010000e+00 -9.3038300000e-01  3.8811230000e+00 -1.5568910000e+00  1.2751100000e-01  3.3971570000e+00 -5.8811200000e-01
-ENERGY -1.526544638498e+02
-FORCES -1.2487000000e-03  3.6303000000e-03 -3.2650000000e-03  1.3631000000e-03  2.1440000000e-04  3.6771000000e-03 -6.2700000000e-05 -3.9118000000e-03 -3.6040000000e-04  1.1556000000e-03  4.7858000000e-03  7.5230000000e-04  1.5660000000e-03 -3.2589000000e-03  1.5595000000e-03 -2.7733000000e-03 -1.4598000000e-03 -2.3636000000e-03
-
-JOB 83
-COORDS -2.7151600000e-01  7.9021100000e-01  3.4776540000e+00  4.5498700000e-01  1.2657460000e+00  3.0748000000e+00 -9.4854100000e-01  1.4537620000e+00  3.6102010000e+00  2.3758900000e-01 -8.8303200000e-01 -3.5071260000e+00  1.1829450000e+00 -7.3417000000e-01 -3.4877770000e+00 -8.7196000000e-02 -4.6743700000e-01 -2.7083610000e+00
-ENERGY -1.526540394092e+02
-FORCES  1.5040000000e-04  4.6974000000e-03 -7.4240000000e-04 -2.9880000000e-03 -2.0186000000e-03  1.4122000000e-03  2.8170000000e-03 -2.7325000000e-03 -6.5720000000e-04  2.4782000000e-03  2.1046000000e-03  3.4541000000e-03 -3.8395000000e-03 -5.1970000000e-04 -1.0030000000e-04  1.3818000000e-03 -1.5312000000e-03 -3.3663000000e-03
-
-JOB 84
-COORDS  1.2369100000e+00  3.7150030000e+00  5.1491000000e-02  1.4890640000e+00  4.1994150000e+00  8.3761700000e-01  1.7690960000e+00  4.0966700000e+00 -6.4660700000e-01 -1.2812930000e+00 -3.7766960000e+00 -1.2525300000e-01 -5.6015500000e-01 -3.8456180000e+00  5.0040000000e-01 -2.0236530000e+00 -3.4723490000e+00  3.9676800000e-01
-ENERGY -1.526540639479e+02
-FORCES  3.2049000000e-03  3.5354000000e-03  2.2570000000e-04 -1.0449000000e-03 -2.0149000000e-03 -3.1601000000e-03 -2.1589000000e-03 -1.5260000000e-03  2.8982000000e-03 -2.6500000000e-05  1.2586000000e-03  4.6562000000e-03 -2.9420000000e-03  1.2810000000e-04 -2.5213000000e-03  2.9674000000e-03 -1.3812000000e-03 -2.0988000000e-03
-
-JOB 85
-COORDS  9.4857800000e-01  4.0051110000e+00 -6.6741100000e-01  1.6248900000e-01  3.4647240000e+00 -7.4663600000e-01  1.3226010000e+00  3.7619640000e+00  1.7947700000e-01 -9.0710800000e-01 -4.0078900000e+00  6.6556400000e-01 -3.9840200000e-01 -3.6155630000e+00 -4.4034000000e-02 -1.7449910000e+00 -3.5455810000e+00  6.4422200000e-01
-ENERGY -1.526539709808e+02
-FORCES -1.6338000000e-03 -3.0560000000e-03  3.2146000000e-03  3.1979000000e-03  2.0967000000e-03  2.7850000000e-04 -1.5683000000e-03  9.4080000000e-04 -3.5147000000e-03 -1.3681000000e-03  3.2820000000e-03 -3.0621000000e-03 -2.1006000000e-03 -1.4874000000e-03  2.9690000000e-03  3.4729000000e-03 -1.7762000000e-03  1.1480000000e-04
-
-JOB 86
-COORDS -5.4721000000e-01  8.1433800000e-01 -4.1816780000e+00 -1.1755870000e+00  7.4130700000e-01 -4.9000380000e+00 -1.8709000000e-02  1.8650000000e-02 -4.2433070000e+00  5.9972700000e-01 -7.8945200000e-01  4.2638060000e+00  6.7307500000e-01 -5.3224300000e-01  3.3447330000e+00 -3.0242000000e-01 -5.7545200000e-01  4.5016420000e+00
-ENERGY -1.526542424964e+02
-FORCES -3.8190000000e-04 -3.5074000000e-03 -3.3376000000e-03  2.5553000000e-03  2.8430000000e-04  2.9659000000e-03 -2.1783000000e-03  3.2440000000e-03  3.4220000000e-04 -3.3927000000e-03  2.0253000000e-03 -2.8385000000e-03 -2.6850000000e-04 -1.1314000000e-03  3.7884000000e-03  3.6662000000e-03 -9.1490000000e-04 -9.2040000000e-04
-
-JOB 87
-COORDS -3.4285100000e-01 -3.4178420000e+00 -2.7587940000e+00 -6.1720600000e-01 -2.5498650000e+00 -3.0547270000e+00 -9.5085300000e-01 -3.6335900000e+00 -2.0516740000e+00  3.5589700000e-01  3.3741950000e+00  2.6806120000e+00  2.2977800000e-01  3.9357060000e+00  3.4454860000e+00  1.1602760000e+00  2.8903970000e+00  2.8680800000e+00
-ENERGY -1.526542369945e+02
-FORCES -3.6244000000e-03  2.7669000000e-03  1.7073000000e-03  1.1284000000e-03 -3.5978000000e-03  1.1572000000e-03  2.4884000000e-03  8.0710000000e-04 -2.8829000000e-03  2.8342000000e-03  3.6670000000e-04  3.9079000000e-03  4.9630000000e-04 -2.3032000000e-03 -3.1210000000e-03 -3.3229000000e-03  1.9604000000e-03 -7.6850000000e-04
-
-JOB 88
-COORDS -1.1858400000e-01 -2.6995700000e+00 -4.2214740000e+00 -3.5343100000e-01 -2.5437310000e+00 -5.1362380000e+00  3.6232900000e-01 -1.9143260000e+00 -3.9600440000e+00  8.0629000000e-02  2.5940830000e+00  4.2918030000e+00  1.0135880000e+00  2.7434470000e+00  4.1384770000e+00 -3.4997400000e-01  3.3636690000e+00  3.9195810000e+00
-ENERGY -1.526539922667e+02
-FORCES  9.7910000000e-04  3.8255000000e-03 -2.6202000000e-03  9.6670000000e-04 -6.2800000000e-04  3.7275000000e-03 -1.9429000000e-03 -3.1874000000e-03 -1.0987000000e-03  2.0322000000e-03  3.7235000000e-03 -2.1031000000e-03 -3.8071000000e-03 -5.9780000000e-04  5.9790000000e-04  1.7721000000e-03 -3.1359000000e-03  1.4966000000e-03
-
-JOB 89
-COORDS  1.2029940000e+00 -6.2623030000e+00  2.5839100000e+00  1.5562280000e+00 -6.1200630000e+00  1.7057160000e+00  7.0576200000e-01 -7.0771870000e+00  2.5135020000e+00 -1.2343390000e+00  6.2771910000e+00 -2.5854090000e+00 -3.0597300000e-01  6.1141150000e+00 -2.4187510000e+00 -1.5197400000e+00  6.8155280000e+00 -1.8471880000e+00
-ENERGY -1.526540985986e+02
-FORCES -6.0580000000e-04 -2.7473000000e-03 -3.8809000000e-03 -1.4286000000e-03 -5.7670000000e-04  3.5886000000e-03  2.0344000000e-03  3.3214000000e-03  2.9260000000e-04  2.6195000000e-03  1.5243000000e-03  3.7150000000e-03 -3.7831000000e-03  6.6650000000e-04 -6.9480000000e-04  1.1635000000e-03 -2.1882000000e-03 -3.0205000000e-03
-
-JOB 0
-COORDS -1.1972260000e+00 -3.2723900000e-01  7.6919000000e-02 -1.5312480000e+00 -3.8309300000e-01 -8.1836900000e-01 -1.7312960000e+00  3.5099200000e-01  4.9044500000e-01  1.2841050000e+00  3.3329000000e-01 -8.6924000000e-02  1.6807710000e+00 -3.5753500000e-01  4.4378100000e-01  3.4287500000e-01  2.3662500000e-01  5.7902000000e-02
-ENERGY -1.526573512613e+02
-FORCES  1.0040400000e-02  2.8146000000e-03 -4.1230000000e-03  1.3232000000e-03  1.4218000000e-03  5.7035000000e-03  5.3405000000e-03 -2.8030000000e-03 -3.2989000000e-03 -2.1895400000e-02 -8.3440000000e-03  3.0764000000e-03 -1.5875000000e-03  1.4902000000e-03 -1.1229000000e-03  6.7788000000e-03  5.4204000000e-03 -2.3510000000e-04
-
-JOB 1
-COORDS -9.4596100000e-01  8.5894600000e-01  1.1857500000e-01 -1.6974630000e+00  5.6055000000e-01 -3.9371100000e-01 -6.7178600000e-01  1.6707520000e+00 -3.0807500000e-01  1.0069360000e+00 -9.0666800000e-01 -1.1730600000e-01  1.1496740000e+00 -1.2596090000e+00  7.6092500000e-01  2.9690900000e-01 -2.7389500000e-01 -9.1750000000e-03
-ENERGY -1.526601058507e+02
-FORCES  4.7051000000e-03 -3.8463000000e-03 -3.6591000000e-03  4.9938000000e-03  1.8987000000e-03  2.3018000000e-03 -1.7608000000e-03 -5.3486000000e-03  1.6402000000e-03 -1.3961700000e-02  1.2308100000e-02  4.2027000000e-03 -1.4203000000e-03  1.6344000000e-03 -2.0293000000e-03  7.4439000000e-03 -6.6463000000e-03 -2.4564000000e-03
-
-JOB 2
-COORDS -2.4112800000e-01  1.2332660000e+00  2.3556000000e-01 -1.0607090000e+00  1.7258770000e+00  1.9250600000e-01  3.7711500000e-01  1.7504210000e+00 -2.8073400000e-01  2.4890000000e-01 -1.3340650000e+00 -2.5515100000e-01  5.1731100000e-01 -1.4968960000e+00  6.4910100000e-01  1.4297000000e-02 -4.0622100000e-01 -2.7247300000e-01
-ENERGY -1.526592805332e+02
-FORCES -2.8510000000e-04 -4.4531000000e-03 -2.0217000000e-03  5.1509000000e-03 -1.7223000000e-03 -1.7300000000e-04 -4.2601000000e-03 -4.0432000000e-03  2.0962000000e-03 -3.9134000000e-03  1.6688300000e-02  6.7330000000e-03 -3.0920000000e-04 -2.8390000000e-04 -2.2073000000e-03  3.6169000000e-03 -6.1857000000e-03 -4.4272000000e-03
-
-JOB 3
-COORDS -5.7703300000e-01 -7.5619700000e-01 -8.5142900000e-01 -1.1253860000e+00 -6.2870200000e-01 -1.6255640000e+00 -4.0903000000e-02 -1.5211250000e+00 -1.0604330000e+00  5.7422400000e-01  8.6237500000e-01  9.2109000000e-01  1.1753770000e+00  2.4306300000e-01  1.3349740000e+00  3.4984000000e-02  3.2320800000e-01  3.4251400000e-01
-ENERGY -1.526584831959e+02
-FORCES  4.7223000000e-03  5.0849000000e-03  2.7990000000e-03  3.3735000000e-03 -2.2603000000e-03  3.0794000000e-03 -3.1575000000e-03  3.6291000000e-03  5.6860000000e-04 -6.6587000000e-03 -1.1124900000e-02 -1.0401000000e-02 -1.6101000000e-03  7.1570000000e-04 -2.0723000000e-03  3.3304000000e-03  3.9555000000e-03  6.0264000000e-03
-
-JOB 4
-COORDS -1.0232700000e+00 -7.5399600000e-01 -5.5797900000e-01 -5.5179400000e-01 -1.0709470000e+00 -1.3283580000e+00 -3.5341700000e-01 -3.2299200000e-01 -2.7165000000e-02  9.5892900000e-01  6.8951000000e-01  5.3199900000e-01  8.7514800000e-01  1.6023390000e+00  2.5640000000e-01  1.0284250000e+00  7.3218100000e-01  1.4857190000e+00
-ENERGY -1.526601397026e+02
-FORCES  1.4649300000e-02  7.7935000000e-03  5.3174000000e-03 -1.2061000000e-03  1.3355000000e-03  1.7131000000e-03 -7.6779000000e-03 -5.0712000000e-03 -1.8988000000e-03 -5.1708000000e-03  6.0750000000e-04 -2.0693000000e-03  9.9640000000e-04 -4.7273000000e-03  2.4361000000e-03 -1.5910000000e-03  6.2000000000e-05 -5.4985000000e-03
-
-JOB 5
-COORDS  4.3943800000e-01 -1.2500670000e+00 -3.2446500000e-01  1.4687000000e-01 -3.4083000000e-01 -3.8711200000e-01  8.2662600000e-01 -1.4370500000e+00 -1.1796580000e+00 -4.1484800000e-01  1.1652710000e+00  4.0669300000e-01 -1.3187070000e+00  1.4521960000e+00  5.3686300000e-01 -8.1758000000e-02  1.7302450000e+00 -2.9050700000e-01
-ENERGY -1.526562390808e+02
-FORCES -5.1003000000e-03  1.1631200000e-02  4.1138000000e-03  5.4850000000e-03 -5.1100000000e-03 -7.3411000000e-03 -1.9291000000e-03  3.7983000000e-03  2.7465000000e-03 -2.0108000000e-03 -2.4727000000e-03 -2.9340000000e-04  5.2189000000e-03 -3.7700000000e-04 -9.8360000000e-04 -1.6637000000e-03 -7.4696000000e-03  1.7579000000e-03
-
-JOB 6
-COORDS  7.2530900000e-01  6.6221100000e-01 -8.4099300000e-01  8.0135000000e-01  7.5326600000e-01 -1.7908130000e+00  1.6165350000e+00  7.8904900000e-01 -5.1563100000e-01 -7.8578700000e-01 -6.4337700000e-01  9.3136400000e-01 -1.1109780000e+00 -1.5132510000e+00  6.9941500000e-01 -2.9239200000e-01 -3.5863400000e-01  1.6213400000e-01
-ENERGY -1.526599807478e+02
-FORCES -9.5080000000e-04 -2.1126000000e-03  3.3840000000e-03  8.2220000000e-04 -4.5230000000e-04  4.8684000000e-03 -4.2931000000e-03 -5.7160000000e-04 -3.2532000000e-03  7.0558000000e-03  5.6732000000e-03 -1.0482100000e-02  1.7927000000e-03  3.0885000000e-03 -1.1204000000e-03 -4.4268000000e-03 -5.6252000000e-03  6.6033000000e-03
-
-JOB 7
-COORDS  4.6289800000e-01 -1.2305060000e+00  2.7370000000e-03  1.4023210000e+00 -1.2097110000e+00  1.8517700000e-01  3.9455400000e-01 -1.6453420000e+00 -8.5718900000e-01 -5.7209900000e-01  1.2773140000e+00  5.9033000000e-02  1.7202700000e-01  1.7626660000e+00 -2.9725700000e-01 -3.2397000000e-01  3.5726100000e-01 -3.1330000000e-02
-ENERGY -1.526592402125e+02
-FORCES  2.0114000000e-03  3.8110000000e-03 -4.7020000000e-04 -4.7899000000e-03 -1.3470000000e-04 -2.3703000000e-03  7.8800000000e-04  3.8471000000e-03  4.4782000000e-03  7.9395000000e-03 -1.4255900000e-02 -8.2890000000e-04 -1.3709000000e-03 -1.9275000000e-03  1.0097000000e-03 -4.5780000000e-03  8.6600000000e-03 -1.8184000000e-03
-
-JOB 8
-COORDS  7.5448000000e-01 -9.5559900000e-01 -5.4994400000e-01 -1.5828000000e-02 -1.2194450000e+00 -1.0531760000e+00  9.5449200000e-01 -1.7143860000e+00 -1.7920000000e-03 -7.5047900000e-01  1.0026640000e+00  6.0331500000e-01 -6.7628700000e-01  1.8574290000e+00  1.7892800000e-01 -2.8628800000e-01  4.0341600000e-01  1.8799000000e-02
-ENERGY -1.526578860866e+02
-FORCES -2.2555000000e-03 -1.9007000000e-03  5.6253000000e-03  2.6900000000e-03  5.9554000000e-03  5.3140000000e-03 -1.1339000000e-03  2.7400000000e-03 -4.2139000000e-03  1.0077700000e-02 -7.3446000000e-03 -5.1076000000e-03  5.3450000000e-04 -3.7819000000e-03  1.0230000000e-04 -9.9128000000e-03  4.3319000000e-03 -1.7201000000e-03
-
-JOB 9
-COORDS -1.9362700000e-01  6.1337900000e-01 -1.1508340000e+00  3.3751300000e-01  4.8019000000e-02 -1.7116290000e+00 -1.0094080000e+00  7.3508700000e-01 -1.6365500000e+00  1.7986800000e-01 -6.2794800000e-01  1.2597800000e+00 -1.8731100000e-01 -2.6677800000e-01  4.5295400000e-01  1.0784310000e+00 -2.9888300000e-01  1.2828720000e+00
-ENERGY -1.526597773430e+02
-FORCES  3.2610000000e-04 -2.7449000000e-03 -3.3080000000e-04 -3.1682000000e-03  2.8366000000e-03  3.8360000000e-03  4.5077000000e-03 -1.6501000000e-03  2.5287000000e-03 -4.9790000000e-04  9.6516000000e-03 -1.2429200000e-02  5.6210000000e-04 -6.2237000000e-03  6.6274000000e-03 -1.7297000000e-03 -1.8695000000e-03 -2.3220000000e-04
-
-JOB 10
-COORDS  1.1389960000e+00  4.8171000000e-01 -5.0837300000e-01  1.4227670000e+00  5.3274800000e-01  4.0437000000e-01  1.3951210000e+00  1.3228360000e+00 -8.8671100000e-01 -1.1873660000e+00 -5.9266500000e-01  4.4420400000e-01 -4.0247700000e-01 -5.6952000000e-02  3.2934600000e-01 -1.7234450000e+00 -1.0240800000e-01  1.0675010000e+00
-ENERGY -1.526554883724e+02
-FORCES -1.5620000000e-04  2.1422000000e-03 -2.5580000000e-04 -8.3764000000e-03 -6.0560000000e-04 -4.4154000000e-03 -5.4540000000e-04 -4.4082000000e-03  2.6446000000e-03  7.6476000000e-03  6.1782000000e-03 -5.4438000000e-03 -2.1979000000e-03 -2.9003000000e-03  9.8564000000e-03  3.6283000000e-03 -4.0630000000e-04 -2.3860000000e-03
-
-JOB 11
-COORDS  1.8208300000e-01 -4.5852700000e-01 -1.3090500000e+00  2.9139300000e-01 -2.8510500000e-01 -3.7405900000e-01  4.0794900000e-01 -1.3832430000e+00 -1.4096270000e+00 -1.9064300000e-01  4.7586300000e-01  1.2033860000e+00 -5.5257400000e-01  3.1463000000e-02  1.9700320000e+00 -2.2920000000e-02  1.3699560000e+00  1.5012070000e+00
-ENERGY -1.526594565751e+02
-FORCES -1.1889000000e-03  2.9930000000e-03  1.1759600000e-02  2.5755000000e-03 -4.0682000000e-03 -7.9467000000e-03 -1.1422000000e-03  2.7783000000e-03  2.1971000000e-03 -7.3700000000e-04  1.3720000000e-04 -2.9908000000e-03  2.0267000000e-03  2.8453000000e-03 -3.1002000000e-03 -1.5340000000e-03 -4.6855000000e-03  8.0900000000e-05
-
-JOB 12
-COORDS -2.9119700000e-01 -1.0279140000e+00  7.9522600000e-01 -1.1956260000e+00 -1.3357210000e+00  7.3609800000e-01  2.3530500000e-01 -1.8272750000e+00  7.8813000000e-01  2.9201500000e-01  1.1406330000e+00 -8.2854000000e-01 -2.7012700000e-01  4.4868400000e-01 -4.8006700000e-01  1.1681210000e+00  9.2017600000e-01 -5.1220300000e-01
-ENERGY -1.526575290549e+02
-FORCES  1.4443000000e-03 -1.5010000000e-03 -1.9691000000e-03  5.0879000000e-03  2.9251000000e-03 -1.6532000000e-03 -2.7542000000e-03  3.9802000000e-03  4.9060000000e-04  5.8210000000e-04 -1.1946700000e-02  1.0292500000e-02 -3.8975000000e-03  4.7195000000e-03 -4.8962000000e-03 -4.6240000000e-04  1.8228000000e-03 -2.2646000000e-03
-
-JOB 13
-COORDS -5.2282800000e-01  3.7281800000e-01 -1.1863400000e+00 -1.2223780000e+00  1.0247390000e+00 -1.2294740000e+00 -9.6009100000e-01 -4.6037500000e-01 -1.3619070000e+00  5.9039400000e-01 -4.3354800000e-01  1.2208550000e+00  5.8044600000e-01 -6.6513000000e-02  3.3687600000e-01  5.4095200000e-01  3.2866800000e-01  1.7977550000e+00
-ENERGY -1.526592948569e+02
-FORCES -4.3028000000e-03 -2.3368000000e-03  4.9048000000e-03  2.5436000000e-03 -3.3333000000e-03 -1.6040000000e-04  2.1763000000e-03  4.6107000000e-03  2.8060000000e-04 -4.6479000000e-03  7.5191000000e-03 -9.5531000000e-03  4.4677000000e-03 -4.4552000000e-03  6.3218000000e-03 -2.3690000000e-04 -2.0045000000e-03 -1.7938000000e-03
-
-JOB 14
-COORDS -1.0344350000e+00 -7.9668300000e-01  3.5869500000e-01 -1.8088770000e+00 -2.4954300000e-01  4.8949500000e-01 -1.2160220000e+00 -1.2810140000e+00 -4.4671200000e-01  1.0879530000e+00  8.3828900000e-01 -3.5813700000e-01  1.8713340000e+00  5.8864900000e-01  1.3199200000e-01  4.2071800000e-01  2.1089100000e-01 -7.9926000000e-02
-ENERGY -1.526617398357e+02
-FORCES -2.4911000000e-03  2.5185000000e-03 -2.5124000000e-03  3.8849000000e-03 -3.3820000000e-03 -1.4316000000e-03  1.6184000000e-03  3.7067000000e-03  4.1493000000e-03 -8.4700000000e-03 -8.6212000000e-03  5.7737000000e-03 -2.9296000000e-03 -1.1690000000e-04 -1.1360000000e-03  8.3874000000e-03  5.8949000000e-03 -4.8430000000e-03
-
-JOB 15
-COORDS -5.3113700000e-01  8.2998900000e-01 -9.4826100000e-01 -1.4744970000e+00  9.7401400000e-01 -8.7369800000e-01 -4.5024900000e-01  4.6201000000e-02 -1.4917360000e+00  5.9242100000e-01 -8.6222600000e-01  9.6484200000e-01  1.0070710000e+00 -3.4345700000e-01  1.6541710000e+00  5.7561000000e-02 -2.3352500000e-01  4.8018600000e-01
-ENERGY -1.526603484711e+02
-FORCES -1.2548000000e-03 -2.5686000000e-03 -3.5834000000e-03  5.4265000000e-03 -1.9113000000e-03  8.4770000000e-04 -1.0586000000e-03  3.8721000000e-03  5.9921000000e-03 -3.5147000000e-03  1.1002900000e-02 -5.6583000000e-03 -1.7572000000e-03 -1.0892000000e-03 -2.0792000000e-03  2.1589000000e-03 -9.3059000000e-03  4.4810000000e-03
-
-JOB 16
-COORDS -1.2804380000e+00  6.4096000000e-01  1.9437200000e-01 -9.4167400000e-01  1.2656530000e+00 -4.4690000000e-01 -6.3112700000e-01 -6.2148000000e-02  2.1067100000e-01  1.2381040000e+00 -5.7405000000e-01 -1.7071300000e-01  1.4100640000e+00 -1.0259000000e+00  6.5541900000e-01  8.5100600000e-01 -1.2437720000e+00 -7.3450300000e-01
-ENERGY -1.526567148359e+02
-FORCES  1.4635800000e-02 -1.7361000000e-03 -3.3583000000e-03 -3.0863000000e-03 -9.4400000000e-04  1.1688000000e-03 -7.4662000000e-03 -3.2647000000e-03  1.0180000000e-03  8.1740000000e-04 -2.2931000000e-03  8.7920000000e-04 -3.4506000000e-03  2.6274000000e-03 -4.6186000000e-03 -1.4501000000e-03  5.6105000000e-03  4.9109000000e-03
-
-JOB 17
-COORDS -5.5665100000e-01  1.2949490000e+00  2.4671600000e-01 -6.1637000000e-01  1.8568520000e+00 -5.2589700000e-01 -3.0936900000e-01  4.3724400000e-01 -9.8863000000e-02  4.8846400000e-01 -1.2648150000e+00 -2.0557200000e-01  8.3202500000e-01 -1.1786980000e+00  6.8368700000e-01  1.2284670000e+00 -1.5899830000e+00 -7.1830200000e-01
-ENERGY -1.526610408662e+02
-FORCES  3.1139000000e-03 -8.8439000000e-03 -5.9835000000e-03  6.5750000000e-04 -2.3439000000e-03  1.7869000000e-03 -2.7691000000e-03  8.4898000000e-03  5.2073000000e-03  4.2156000000e-03  9.9170000000e-04  1.6528000000e-03 -2.2049000000e-03  5.6310000000e-04 -5.8840000000e-03 -3.0130000000e-03  1.1432000000e-03  3.2205000000e-03
-
-JOB 18
-COORDS  4.0197300000e-01 -4.9824000000e-02  1.2971630000e+00 -9.2933000000e-02  6.7322200000e-01  1.6825260000e+00  9.8899900000e-01 -3.3821900000e-01  1.9960630000e+00 -3.7869600000e-01  9.9300000000e-03 -1.4183810000e+00 -1.2545400000e+00  3.7175300000e-01 -1.2834220000e+00 -1.5484000000e-02 -7.4573000000e-02 -5.3681000000e-01
-ENERGY -1.526599334054e+02
-FORCES  1.0985000000e-03  5.1000000000e-04  9.3940000000e-04  2.1326000000e-03 -3.9011000000e-03 -2.2759000000e-03 -3.5607000000e-03  2.5736000000e-03 -1.8371000000e-03  1.4868000000e-03 -8.9480000000e-04  1.0710300000e-02  2.7535000000e-03 -3.9520000000e-04  3.7920000000e-04 -3.9108000000e-03  2.1074000000e-03 -7.9159000000e-03
-
-JOB 19
-COORDS -4.2906000000e-01 -1.1026770000e+00 -7.6882900000e-01 -1.3364610000e+00 -8.8713700000e-01 -5.5342700000e-01 -3.1487800000e-01 -7.9064900000e-01 -1.6665100000e+00  4.5264600000e-01  1.1417090000e+00  7.8086800000e-01  4.7397100000e-01  8.1433900000e-01  1.6800930000e+00  7.1313700000e-01  3.9171300000e-01  2.4618800000e-01
-ENERGY -1.526587196378e+02
-FORCES -5.8395000000e-03  5.0741000000e-03 -2.8870000000e-04  3.6390000000e-03 -2.5073000000e-03 -1.8326000000e-03  6.2050000000e-04 -4.7390000000e-04  5.0313000000e-03 -9.7420000000e-04 -1.0519900000e-02 -2.4210000000e-03 -7.4510000000e-04  1.1435000000e-03 -2.9219000000e-03  3.2994000000e-03  7.2835000000e-03  2.4330000000e-03
-
-JOB 20
-COORDS  3.2461900000e-01  1.3292030000e+00 -1.3866600000e-01 -3.8900300000e-01  1.9195210000e+00 -3.8053500000e-01  9.7635200000e-01  1.4446060000e+00 -8.3015600000e-01 -3.1694200000e-01 -1.3983550000e+00  2.6136600000e-01 -3.1451800000e-01 -1.8931230000e+00 -5.5804200000e-01 -3.3535600000e-01 -4.8123800000e-01 -1.2111000000e-02
-ENERGY -1.526596666436e+02
-FORCES  2.4842000000e-03  2.3443000000e-03 -2.1751000000e-03  3.3733000000e-03 -4.7444000000e-03  5.8480000000e-04 -4.2955000000e-03 -5.2500000000e-04  2.9187000000e-03  2.4466000000e-03  1.0088900000e-02 -3.2395000000e-03  5.1350000000e-04  2.7447000000e-03  2.0658000000e-03 -4.5221000000e-03 -9.9085000000e-03 -1.5470000000e-04
-
-JOB 21
-COORDS  1.2388540000e+00  6.3721900000e-01 -2.2695500000e-01  1.8748870000e+00  1.1221900000e-01  2.5891300000e-01  1.0488820000e+00  1.3777160000e+00  3.4907200000e-01 -1.3006320000e+00 -6.9974200000e-01  1.2989300000e-01 -3.6386900000e-01 -5.0305600000e-01  1.3454600000e-01 -1.6903680000e+00 -2.4605000000e-02  6.8534600000e-01
-ENERGY -1.526577729621e+02
-FORCES  2.4691000000e-03  3.6982000000e-03  2.2831000000e-03 -6.1739000000e-03  1.5654000000e-03 -1.9808000000e-03 -3.0950000000e-04 -5.1759000000e-03 -2.1877000000e-03  9.0283000000e-03  7.3651000000e-03 -1.1298000000e-03 -6.6517000000e-03 -5.7777000000e-03  4.4792000000e-03  1.6377000000e-03 -1.6750000000e-03 -1.4640000000e-03
-
-JOB 22
-COORDS  1.2185670000e+00  4.5511100000e-01 -6.7895500000e-01  1.2425630000e+00  1.3991860000e+00 -8.3509100000e-01  4.2686100000e-01  3.1794600000e-01 -1.5874300000e-01 -1.1743100000e+00 -4.4275500000e-01  6.1725000000e-01 -1.4651650000e+00 -1.3213500000e+00  3.7290200000e-01 -9.2132800000e-01 -5.2086900000e-01  1.5371040000e+00
-ENERGY -1.526613495104e+02
-FORCES -9.6015000000e-03 -8.1430000000e-04  3.3652000000e-03 -9.0380000000e-04 -3.0129000000e-03  1.2352000000e-03  1.0078300000e-02  4.3124000000e-03 -1.9390000000e-03 -3.2550000000e-04 -5.4635000000e-03  2.4530000000e-04  7.5880000000e-04  4.0831000000e-03  2.6714000000e-03 -6.3000000000e-06  8.9510000000e-04 -5.5781000000e-03
-
-JOB 23
-COORDS  1.0573860000e+00  9.0082700000e-01  2.2363200000e-01  1.6782090000e+00  4.6771200000e-01 -3.6221900000e-01  1.4421350000e+00  8.0435400000e-01  1.0947770000e+00 -1.1294150000e+00 -8.6002400000e-01 -3.0414400000e-01 -6.0341500000e-01 -2.9189900000e-01  2.5869600000e-01 -1.5157460000e+00 -1.4994930000e+00  2.9423700000e-01
-ENERGY -1.526594233720e+02
-FORCES  5.1318000000e-03 -2.3690000000e-03 -2.8363000000e-03 -2.0923000000e-03  2.6865000000e-03  4.0081000000e-03 -3.7447000000e-03 -1.2023000000e-03 -4.0678000000e-03  5.1800000000e-03  5.4948000000e-03  3.6342000000e-03 -7.2668000000e-03 -7.6051000000e-03  3.2620000000e-04  2.7921000000e-03  2.9950000000e-03 -1.0643000000e-03
-
-JOB 24
-COORDS -1.1238310000e+00 -2.6651000000e-02 -9.4552500000e-01 -3.0971500000e-01  1.2678500000e-01 -4.6604200000e-01 -9.5658400000e-01  3.2336800000e-01 -1.8205940000e+00  1.0279430000e+00 -1.7029000000e-02  9.1942900000e-01  1.9749730000e+00  1.1829600000e-01  8.8697400000e-01  7.9546400000e-01  1.3218800000e-01  1.8359000000e+00
-ENERGY -1.526610985631e+02
-FORCES  8.3401000000e-03  8.7370000000e-04  4.2186000000e-03 -7.6396000000e-03  7.6730000000e-04 -6.8923000000e-03  6.6040000000e-04 -9.9990000000e-04  3.0890000000e-03  3.8530000000e-04  3.1880000000e-04  2.7663000000e-03 -4.4149000000e-03 -3.8500000000e-04  8.9770000000e-04  2.6687000000e-03 -5.7490000000e-04 -4.0793000000e-03
-
-JOB 25
-COORDS  1.2091500000e+00 -3.2720500000e-01 -6.5006900000e-01  1.1035210000e+00 -1.2589190000e+00 -4.5776300000e-01  1.2745900000e+00 -2.8498300000e-01 -1.6040950000e+00 -1.2307580000e+00  3.7073200000e-01  7.6443800000e-01 -4.3571100000e-01  3.4846000000e-02  3.5053900000e-01 -1.6517840000e+00  8.9631000000e-01  8.4191000000e-02
-ENERGY -1.526594155619e+02
-FORCES  9.7550000000e-04 -2.3315000000e-03 -4.2525000000e-03 -2.3345000000e-03  6.6161000000e-03 -1.6690000000e-04 -3.1220000000e-04 -7.0870000000e-04  4.7815000000e-03  8.5756000000e-03  1.0502000000e-03 -7.9578000000e-03 -7.5955000000e-03 -3.0302000000e-03  5.6494000000e-03  6.9110000000e-04 -1.5958000000e-03  1.9463000000e-03
-
-JOB 26
-COORDS  8.0697300000e-01 -6.3899000000e-01  1.0695040000e+00  4.9307300000e-01 -1.5422010000e+00  1.1131960000e+00  4.9140500000e-01 -3.1581000000e-01  2.2558300000e-01 -7.2072700000e-01  6.3155400000e-01 -1.0476910000e+00 -8.7414000000e-01  1.5572280000e+00 -1.2369660000e+00 -1.4173830000e+00  3.9297900000e-01 -4.3614800000e-01
-ENERGY -1.526601177624e+02
-FORCES -2.3114000000e-03  1.5454000000e-03 -8.0681000000e-03 -3.7540000000e-04  3.7611000000e-03 -5.7410000000e-04  9.8020000000e-04 -5.5678000000e-03  8.3395000000e-03 -2.8769000000e-03  4.7678000000e-03  2.2237000000e-03 -6.9670000000e-04 -4.4132000000e-03  8.8520000000e-04  5.2801000000e-03 -9.3300000000e-05 -2.8062000000e-03
-
-JOB 27
-COORDS  6.4127900000e-01  3.2941800000e-01 -1.2306890000e+00  1.4322390000e+00 -1.0778000000e-01 -9.1529500000e-01  8.8666800000e-01  1.2523900000e+00 -1.2950120000e+00 -7.2709800000e-01 -4.1918700000e-01  1.2426900000e+00 -4.0551900000e-01 -2.6370000000e-01  3.5463500000e-01 -6.7175700000e-01  4.3506300000e-01  1.6709710000e+00
-ENERGY -1.526603325689e+02
-FORCES  4.7390000000e-03  2.8354000000e-03  1.3370000000e-04 -5.5888000000e-03  2.6408000000e-03 -2.8090000000e-04 -7.4270000000e-04 -4.6794000000e-03  9.3740000000e-04  3.1708000000e-03  6.1469000000e-03 -8.6218000000e-03 -1.7714000000e-03 -4.4749000000e-03  8.8577000000e-03  1.9310000000e-04 -2.4687000000e-03 -1.0261000000e-03
-
-JOB 28
-COORDS -6.6793700000e-01 -7.7886700000e-01 -1.0565900000e+00 -1.4936000000e-02 -2.2650500000e-01 -6.2680200000e-01 -1.8461100000e-01 -1.2250830000e+00 -1.7519450000e+00  5.9189400000e-01  7.8952000000e-01  1.0096680000e+00  4.3968000000e-02  1.0868250000e+00  1.7360420000e+00  1.2425820000e+00  2.1845700000e-01  1.4179880000e+00
-ENERGY -1.526601691840e+02
-FORCES  4.6921000000e-03  5.1530000000e-03  4.1599000000e-03 -1.9116000000e-03 -6.8582000000e-03 -7.7406000000e-03 -3.5560000000e-04  1.9444000000e-03  3.4963000000e-03 -3.2047000000e-03 -1.4340000000e-03  5.0377000000e-03  3.9513000000e-03 -1.1251000000e-03 -2.0614000000e-03 -3.1715000000e-03  2.3199000000e-03 -2.8919000000e-03
-
-JOB 29
-COORDS -4.9621400000e-01 -1.3064280000e+00  3.1850200000e-01 -8.4508100000e-01 -1.4715450000e+00 -5.5743200000e-01 -1.2699510000e+00 -1.1457020000e+00  8.5862200000e-01  6.2376100000e-01  1.3135900000e+00 -3.2657900000e-01  2.6104200000e-01  5.4876900000e-01  1.2031600000e-01 -7.7897000000e-02  1.9639990000e+00 -2.9698400000e-01
-ENERGY -1.526599403816e+02
-FORCES -4.2284000000e-03 -2.8102000000e-03 -3.4281000000e-03  1.0035000000e-03  1.2857000000e-03  5.2376000000e-03  4.5443000000e-03  1.5933000000e-03 -3.4052000000e-03 -4.6964000000e-03 -7.4003000000e-03  3.6053000000e-03  1.8660000000e-03  1.0521500000e-02 -2.0660000000e-03  1.5110000000e-03 -3.1901000000e-03  5.6300000000e-05
-
-JOB 30
-COORDS  1.0048580000e+00 -1.0332600000e+00 -4.4110800000e-01  1.4716630000e+00 -2.1405800000e-01 -6.0612900000e-01  8.3733000000e-02 -8.1839000000e-01 -5.8804500000e-01 -9.1478300000e-01  9.8885900000e-01  4.7712100000e-01 -1.5428510000e+00  1.4238980000e+00 -9.9511000000e-02 -1.3725760000e+00  2.0607000000e-01  7.8355200000e-01
-ENERGY -1.526553597780e+02
-FORCES -4.3580000000e-03  1.1173700000e-02  1.3033000000e-03  9.5620000000e-04 -4.1475000000e-03 -8.9860000000e-04  5.5100000000e-05 -5.2716000000e-03  9.0000000000e-05 -3.5520000000e-03 -1.2073000000e-03  2.3237000000e-03  4.0493000000e-03 -3.2633000000e-03  1.7016000000e-03  2.8495000000e-03  2.7160000000e-03 -4.5200000000e-03
-
-JOB 31
-COORDS  1.2846600000e+00 -4.7671800000e-01  2.8481100000e-01  1.3971500000e+00 -1.3807650000e+00  5.7854100000e-01  1.8923540000e+00  2.8478000000e-02  8.2492000000e-01 -1.3799500000e+00  4.8031000000e-01 -2.8906500000e-01 -4.5725700000e-01  2.2949100000e-01 -2.4479500000e-01 -1.4395390000e+00  1.0403530000e+00 -1.0630380000e+00
-ENERGY -1.526619365497e+02
-FORCES  9.0790000000e-04 -1.6311000000e-03  3.8834000000e-03  7.5460000000e-04  4.5872000000e-03 -7.9410000000e-04 -2.2616000000e-03 -3.1529000000e-03 -2.4514000000e-03  8.9808000000e-03 -2.0424000000e-03 -3.1860000000e-04 -9.5605000000e-03  3.9346000000e-03 -2.8710000000e-03  1.1788000000e-03 -1.6953000000e-03  2.5518000000e-03
-
-JOB 32
-COORDS  6.3696000000e-02 -1.1715480000e+00  9.4327400000e-01 -3.2476000000e-01 -1.8263820000e+00  3.6316500000e-01  1.5600000000e-01 -3.9123600000e-01  3.9662500000e-01 -2.4315000000e-02  1.1047010000e+00 -8.8027600000e-01  4.8289900000e-01  1.9090260000e+00 -7.7060300000e-01 -9.3549800000e-01  1.3969510000e+00 -9.0411500000e-01
-ENERGY -1.526617232950e+02
-FORCES -1.8230000000e-04  6.0981000000e-03 -8.7748000000e-03  5.3710000000e-04  2.0025000000e-03  1.8829000000e-03 -2.0090000000e-04 -7.5285000000e-03  6.9953000000e-03 -1.7621000000e-03  4.4047000000e-03  2.9480000000e-04 -3.2362000000e-03 -3.6370000000e-03 -4.7780000000e-04  4.8445000000e-03 -1.3398000000e-03  7.9500000000e-05
-
-JOB 33
-COORDS -2.6625500000e-01 -1.4472640000e+00  3.4524500000e-01  5.8185400000e-01 -1.8429160000e+00  1.4424300000e-01 -5.0540000000e-02 -5.8615200000e-01  7.0327600000e-01  2.3811800000e-01  1.4416560000e+00 -2.9918600000e-01  5.5423500000e-01  1.2509040000e+00 -1.1823150000e+00 -7.0105700000e-01  1.2604950000e+00 -3.3612000000e-01
-ENERGY -1.526582789022e+02
-FORCES  6.8706000000e-03  5.9794000000e-03  3.2810000000e-04 -3.1487000000e-03  9.7800000000e-04  1.8260000000e-04 -4.7893000000e-03 -5.5714000000e-03 -7.5000000000e-05 -3.3054000000e-03 -2.8446000000e-03 -6.9048000000e-03 -7.5820000000e-04  1.4833000000e-03  3.8775000000e-03  5.1311000000e-03 -2.4600000000e-05  2.5915000000e-03
-
-JOB 34
-COORDS  3.0728400000e-01  1.2759820000e+00  5.9760200000e-01  8.0565200000e-01  1.8679840000e+00  3.4224000000e-02 -4.7752300000e-01  1.7714490000e+00  8.3174500000e-01 -3.1584400000e-01 -1.3658470000e+00 -6.3560000000e-01 -2.4543400000e-01 -1.6896630000e+00  2.6240700000e-01  4.9209000000e-02 -4.8166100000e-01 -6.0119700000e-01
-ENERGY -1.526598863458e+02
-FORCES -2.6732000000e-03  4.7975000000e-03  6.7800000000e-04 -3.1199000000e-03 -4.1470000000e-03  1.6388000000e-03  4.3510000000e-03 -1.7620000000e-03 -1.0147000000e-03  2.9325000000e-03  7.8026000000e-03  7.5356000000e-03 -1.0131000000e-03 -7.5570000000e-04 -2.9619000000e-03 -4.7730000000e-04 -5.9353000000e-03 -5.8758000000e-03
-
-JOB 35
-COORDS  1.0609200000e-01  1.1363200000e+00  9.2384400000e-01  9.3174800000e-01  8.1896800000e-01  1.2896470000e+00  3.6112100000e-01  1.8506540000e+00  3.3996100000e-01 -1.7617000000e-01 -1.1714030000e+00 -9.7933200000e-01 -3.2835100000e-01 -1.8281710000e+00 -2.9982600000e-01  2.6909000000e-02 -3.6983600000e-01 -4.9716900000e-01
-ENERGY -1.526595042264e+02
-FORCES  3.5779000000e-03  4.7238000000e-03  2.0957000000e-03 -4.9095000000e-03 -5.7600000000e-05 -3.7777000000e-03 -1.0395000000e-03 -5.5028000000e-03  2.1171000000e-03 -1.6479000000e-03  5.5770000000e-03  8.8104000000e-03  1.2093000000e-03  1.5442000000e-03 -2.2735000000e-03  2.8097000000e-03 -6.2846000000e-03 -6.9721000000e-03
-
-JOB 36
-COORDS  2.4943900000e-01  1.0464080000e+00 -9.6385400000e-01  1.1802610000e+00  1.1654740000e+00 -7.7510500000e-01 -6.8229000000e-02  1.9257430000e+00 -1.1690080000e+00 -3.0496900000e-01 -1.1285170000e+00  1.0240810000e+00 -5.0838900000e-01 -2.5844900000e-01  6.8081200000e-01  2.5321300000e-01 -1.5257690000e+00  3.5560800000e-01
-ENERGY -1.526596454578e+02
-FORCES  3.3280000000e-03  4.1345000000e-03 -1.1516000000e-03 -4.7418000000e-03 -8.9970000000e-04 -9.9060000000e-04  1.7427000000e-03 -4.0769000000e-03  1.5500000000e-03  1.3499000000e-03  5.5196000000e-03 -8.7811000000e-03 -1.1930000000e-03 -4.5416000000e-03  6.1201000000e-03 -4.8590000000e-04 -1.3580000000e-04  3.2532000000e-03
-
-JOB 37
-COORDS -3.2634200000e-01 -1.3103950000e+00  5.1112300000e-01 -6.8113500000e-01 -2.0602680000e+00  3.3583000000e-02 -8.3668300000e-01 -1.2778840000e+00  1.3202750000e+00  4.0824400000e-01  1.4044270000e+00 -5.2988400000e-01 -4.5789000000e-01  1.3127430000e+00 -9.2691900000e-01  5.9050200000e-01  5.4477700000e-01 -1.5038900000e-01
-ENERGY -1.526601283639e+02
-FORCES -3.3060000000e-03 -2.6804000000e-03  1.3813000000e-03  7.4350000000e-04  3.5788000000e-03  2.6168000000e-03  1.9669000000e-03 -6.8130000000e-04 -4.1959000000e-03 -4.4616000000e-03 -9.3341000000e-03  1.6198000000e-03  2.1847000000e-03  2.0291000000e-03  2.4720000000e-04  2.8725000000e-03  7.0880000000e-03 -1.6692000000e-03
-
-JOB 38
-COORDS -3.8346000000e-02 -9.7334400000e-01 -1.1552280000e+00 -4.5320000000e-02 -5.4250000000e-02 -8.8792600000e-01 -6.3003200000e-01 -1.0091900000e+00 -1.9067970000e+00  1.0049900000e-01  8.8312600000e-01  1.1297420000e+00 -6.8924600000e-01  6.7580600000e-01  1.6292950000e+00  4.3808600000e-01  1.6818580000e+00  1.5350730000e+00
-ENERGY -1.526589063970e+02
-FORCES -2.5070000000e-04  5.7806000000e-03  1.8197000000e-03 -1.5729000000e-03 -5.7038000000e-03 -6.7183000000e-03  1.7655000000e-03  7.9120000000e-04  3.4502000000e-03 -1.5695000000e-03  5.6570000000e-04  5.2705000000e-03  3.4949000000e-03  2.2928000000e-03 -2.1810000000e-03 -1.8673000000e-03 -3.7264000000e-03 -1.6412000000e-03
-
-JOB 39
-COORDS -6.7774800000e-01  7.9008500000e-01 -1.0056940000e+00 -2.7034000000e-01  6.1706100000e-01 -1.8544070000e+00 -1.5383350000e+00  1.1493870000e+00 -1.2213890000e+00  7.0047800000e-01 -7.7892500000e-01  1.1321040000e+00  4.4174900000e-01 -2.9223200000e-01  3.4953100000e-01  1.0106830000e+00 -1.6211020000e+00  7.9932400000e-01
-ENERGY -1.526594349377e+02
-FORCES -4.6627000000e-03  1.8032000000e-03 -2.3218000000e-03 -1.4245000000e-03 -3.4510000000e-04  4.9473000000e-03  4.1913000000e-03 -1.2156000000e-03 -9.5220000000e-04 -3.6904000000e-03  2.1311000000e-03 -6.3473000000e-03  6.6787000000e-03 -5.4713000000e-03  4.3625000000e-03 -1.0923000000e-03  3.0978000000e-03  3.1160000000e-04
-
-JOB 40
-COORDS  1.5421000000e-01  1.3457510000e+00 -6.7731300000e-01 -4.5686900000e-01  6.2176300000e-01 -5.4073000000e-01 -3.7228800000e-01  2.0292130000e+00 -1.0919350000e+00 -1.4872000000e-01 -1.3160110000e+00  6.8008900000e-01  5.8961200000e-01 -9.2087100000e-01  1.1437280000e+00  1.6538700000e-01 -2.1829750000e+00  4.2329700000e-01
-ENERGY -1.526604701899e+02
-FORCES -4.4446000000e-03 -3.3457000000e-03 -4.6400000000e-05  2.1311000000e-03  8.1982000000e-03 -2.4454000000e-03  1.3297000000e-03 -3.2930000000e-03  1.4867000000e-03  5.9151000000e-03 -2.0669000000e-03  1.3368000000e-03 -3.9232000000e-03 -3.0297000000e-03 -1.8571000000e-03 -1.0081000000e-03  3.5370000000e-03  1.5254000000e-03
-
-JOB 41
-COORDS -1.2749500000e+00 -7.4118800000e-01 -5.3245400000e-01 -1.7237750000e+00  8.6840000000e-02 -3.6169700000e-01 -3.8655200000e-01 -4.8581400000e-01 -7.8098000000e-01  1.2485200000e+00  6.1748500000e-01  5.1482000000e-01  6.6635800000e-01  1.3386630000e+00  2.7561200000e-01  1.8454300000e+00  9.9508500000e-01  1.1608450000e+00
-ENERGY -1.526543528876e+02
-FORCES  5.2096000000e-03  3.5192000000e-03  2.2373000000e-03  2.2508000000e-03 -2.1364000000e-03 -7.4450000000e-04 -6.2190000000e-03  7.3150000000e-04 -1.7018000000e-03  6.7450000000e-04  3.6350000000e-03  3.7013000000e-03  1.2520000000e-03 -4.6259000000e-03 -8.6300000000e-04 -3.1678000000e-03 -1.1235000000e-03 -2.6293000000e-03
-
-JOB 42
-COORDS -7.8449900000e-01  8.3184300000e-01 -9.4108100000e-01 -2.6517200000e-01  1.6153690000e+00 -1.1216840000e+00 -1.6423750000e+00  1.1672720000e+00 -6.8075800000e-01  8.7014200000e-01 -9.0038700000e-01  9.3957200000e-01  3.0345900000e-01 -6.3473100000e-01  2.1532800000e-01  2.6759400000e-01 -1.0891770000e+00  1.6589650000e+00
-ENERGY -1.526604506670e+02
-FORCES -7.3770000000e-04  5.9043000000e-03  6.3300000000e-04 -3.3219000000e-03 -3.2711000000e-03  5.0130000000e-04  3.9806000000e-03 -1.1962000000e-03 -1.0271000000e-03 -7.1509000000e-03  3.4458000000e-03 -3.4098000000e-03  5.4158000000e-03 -5.5422000000e-03  5.4004000000e-03  1.8141000000e-03  6.5950000000e-04 -2.0977000000e-03
-
-JOB 43
-COORDS -6.7294500000e-01  1.9530300000e-01  1.4076500000e+00 -1.6031350000e+00 -1.6189000000e-02  1.3286010000e+00 -3.5866700000e-01  2.3678400000e-01  5.0446600000e-01  6.7170500000e-01 -2.1367700000e-01 -1.3066530000e+00  9.0395900000e-01 -4.6768700000e-01 -2.1998320000e+00  1.1649150000e+00  5.9162300000e-01 -1.1502320000e+00
-ENERGY -1.526586434924e+02
-FORCES -1.3887000000e-03 -3.2498000000e-03 -7.2270000000e-03  2.8940000000e-03  7.9120000000e-04  7.1330000000e-04 -4.5660000000e-04  4.7701000000e-03  6.7556000000e-03  3.5520000000e-03 -5.7900000000e-05 -4.6384000000e-03 -5.1000000000e-06  1.7046000000e-03  3.7821000000e-03 -4.5956000000e-03 -3.9583000000e-03  6.1450000000e-04
-
-JOB 44
-COORDS  7.0682100000e-01 -8.0989900000e-01  1.1999440000e+00 -9.4049000000e-02 -3.1342900000e-01  1.0315500000e+00  1.2108400000e+00 -7.3437000000e-01  3.8970200000e-01 -7.1806100000e-01  7.1145200000e-01 -1.1284470000e+00  1.0239300000e-01  9.3051100000e-01 -1.5701470000e+00 -1.0589650000e+00  1.5526330000e+00 -8.2442200000e-01
-ENERGY -1.526570723179e+02
-FORCES -4.3551000000e-03  3.4590000000e-03 -8.2539000000e-03  2.9134000000e-03 -1.6114000000e-03  5.5487000000e-03  9.3920000000e-04 -4.1440000000e-04  2.7331000000e-03  1.7208000000e-03  5.0792000000e-03 -2.7560000000e-03 -3.1237000000e-03 -1.8458000000e-03  3.0090000000e-03  1.9054000000e-03 -4.6665000000e-03 -2.8090000000e-04
-
-JOB 45
-COORDS  6.6152300000e-01  3.4767600000e-01  1.3780560000e+00 -2.5677600000e-01  1.7758700000e-01  1.1682290000e+00  1.0202990000e+00 -5.1171700000e-01  1.5993140000e+00 -6.1344900000e-01 -3.4761100000e-01 -1.3933620000e+00 -1.4659210000e+00  7.5690000000e-02 -1.4950430000e+00 -4.3804000000e-02  3.3982200000e-01 -1.0481490000e+00
-ENERGY -1.526579486943e+02
-FORCES -2.7840000000e-03 -7.2267000000e-03  3.6930000000e-04  4.1258000000e-03  3.5463000000e-03  1.6640000000e-04 -1.1200000000e-03  3.9665000000e-03 -1.6860000000e-04  1.7823000000e-03  5.0626000000e-03 -5.2840000000e-04  3.6785000000e-03 -1.8153000000e-03  2.2384000000e-03 -5.6825000000e-03 -3.5333000000e-03 -2.0771000000e-03
-
-JOB 46
-COORDS  1.0419220000e+00  1.1685990000e+00  5.8703000000e-02  1.0855600000e+00  1.7531390000e+00  8.1543400000e-01  5.4764200000e-01  4.1011400000e-01  3.6953900000e-01 -9.9699900000e-01 -1.0962680000e+00 -1.4194800000e-01 -6.6309500000e-01 -1.5985990000e+00  6.0129100000e-01 -1.6153880000e+00 -1.6867280000e+00 -5.7227900000e-01
-ENERGY -1.526560434748e+02
-FORCES -4.9946000000e-03 -2.4051000000e-03  1.7416000000e-03 -4.5340000000e-04 -2.7007000000e-03 -2.6289000000e-03  5.9088000000e-03  3.0304000000e-03  3.3703000000e-03 -3.1228000000e-03 -4.9712000000e-03 -1.9974000000e-03  1.3700000000e-04  5.1910000000e-03 -3.1321000000e-03  2.5249000000e-03  1.8557000000e-03  2.6466000000e-03
-
-JOB 47
-COORDS -3.5012900000e-01  1.4751500000e+00  5.6943000000e-01 -7.7664400000e-01  6.5161200000e-01  8.0629000000e-01  5.4685200000e-01  1.2256170000e+00  3.4719000000e-01  2.9730600000e-01 -1.3818960000e+00 -5.1580000000e-01  7.6602600000e-01 -2.2158520000e+00 -5.4821900000e-01  2.5993900000e-01 -1.0920110000e+00 -1.4272830000e+00
-ENERGY -1.526588198114e+02
-FORCES  2.8916000000e-03 -8.5600000000e-03 -7.1100000000e-05 -6.8880000000e-04  5.4293000000e-03  4.4530000000e-04 -2.3621000000e-03  3.8673000000e-03  1.3120000000e-04  1.0681000000e-03 -3.1564000000e-03 -4.6916000000e-03 -1.9206000000e-03  3.9735000000e-03 -2.2660000000e-04  1.0119000000e-03 -1.5537000000e-03  4.4128000000e-03
-
-JOB 48
-COORDS  9.0322000000e-01 -1.1492210000e+00 -6.6613000000e-01  6.2789700000e-01 -4.3997900000e-01 -8.5265000000e-02  2.8942500000e-01 -1.8607240000e+00 -4.8378100000e-01 -7.9321300000e-01  1.1354260000e+00  5.7481900000e-01 -1.7109020000e+00  8.8412600000e-01  4.7029100000e-01 -7.7046000000e-01  1.6242720000e+00  1.3974630000e+00
-ENERGY -1.526598573348e+02
-FORCES -5.4092000000e-03  3.9536000000e-03  4.4199000000e-03  5.0067000000e-03 -7.0486000000e-03 -3.1676000000e-03  1.7066000000e-03  2.1122000000e-03 -8.6930000000e-04 -5.1499000000e-03  2.6181000000e-03  2.1606000000e-03  4.3107000000e-03  9.4910000000e-04  1.3075000000e-03 -4.6480000000e-04 -2.5844000000e-03 -3.8511000000e-03
-
-JOB 49
-COORDS  1.6960100000e-01 -1.5008810000e+00 -4.3924400000e-01 -3.4631500000e-01 -7.0568200000e-01 -3.0612500000e-01 -4.7050800000e-01 -2.1602040000e+00 -7.0717100000e-01 -1.4800100000e-01  1.4588630000e+00  4.9071100000e-01  7.9889900000e-01  1.5622580000e+00  5.8517200000e-01 -3.6001500000e-01  1.9201440000e+00 -3.2077000000e-01
-ENERGY -1.526596949733e+02
-FORCES -4.2782000000e-03  3.5401000000e-03  1.8869000000e-03  1.3278000000e-03 -8.0456000000e-03 -4.5957000000e-03  1.8214000000e-03  3.2049000000e-03  9.4280000000e-04  5.5000000000e-03  4.6440000000e-03 -8.6890000000e-04 -4.8881000000e-03  4.6110000000e-04 -6.8170000000e-04  5.1710000000e-04 -3.8044000000e-03  3.3167000000e-03
-
-JOB 50
-COORDS  5.4739600000e-01  1.3709250000e+00  2.3138000000e-01  1.3587790000e+00  1.8551720000e+00  3.8433000000e-01 -7.5493000000e-02  2.0341380000e+00 -6.5926000000e-02 -5.2795500000e-01 -1.4606530000e+00 -2.8028000000e-01 -2.9143000000e-01 -7.0337800000e-01  2.5527800000e-01 -1.2631010000e+00 -1.8620560000e+00  1.8304300000e-01
-ENERGY -1.526596936742e+02
-FORCES  2.0139000000e-03  5.0286000000e-03 -1.9328000000e-03 -3.9260000000e-03 -1.0650000000e-03 -9.3530000000e-04  2.9772000000e-03 -2.5642000000e-03  2.0142000000e-03  8.4430000000e-04  4.4751000000e-03  3.7804000000e-03 -4.4300000000e-03 -8.0619000000e-03 -1.4049000000e-03  2.5205000000e-03  2.1874000000e-03 -1.5217000000e-03
-
-JOB 51
-COORDS  4.6322200000e-01 -1.5533910000e+00  2.1738400000e-01  1.3757160000e+00 -1.4100780000e+00  4.6847500000e-01  8.4033000000e-02 -6.7532300000e-01  1.7936400000e-01 -4.3435000000e-01  1.4833880000e+00 -2.5636600000e-01 -5.9033600000e-01  2.0277560000e+00  5.1536100000e-01 -1.3016080000e+00  1.1614530000e+00 -5.0223700000e-01
-ENERGY -1.526596719512e+02
-FORCES  2.4327000000e-03  8.1274000000e-03 -3.2460000000e-04 -2.8720000000e-03 -1.2109000000e-03 -3.6330000000e-04 -7.4390000000e-04 -8.8338000000e-03  1.1089000000e-03 -5.0425000000e-03  5.1863000000e-03  7.1800000000e-04  7.5120000000e-04 -3.0705000000e-03 -3.7031000000e-03  5.4744000000e-03 -1.9850000000e-04  2.5641000000e-03
-
-JOB 52
-COORDS  2.2886100000e-01 -1.4631610000e+00  1.0097890000e+00  6.6711400000e-01 -6.1298200000e-01  1.0466910000e+00 -6.9475800000e-01 -1.2638950000e+00  1.1629290000e+00 -2.1201400000e-01  1.4298770000e+00 -1.0787070000e+00 -2.1575600000e-01  1.8450050000e+00 -2.1621900000e-01 -5.7820000000e-03  5.1194800000e-01 -9.0234100000e-01
-ENERGY -1.526542100113e+02
-FORCES -2.0105000000e-03  2.4616000000e-03  3.6883000000e-03 -3.1491000000e-03 -2.9074000000e-03 -2.7057000000e-03  4.8307000000e-03 -3.0780000000e-04 -1.4499000000e-03  6.0800000000e-04 -2.3768000000e-03  2.7230000000e-03  3.2850000000e-04 -2.8987000000e-03 -3.0007000000e-03 -6.0760000000e-04  6.0290000000e-03  7.4500000000e-04
-
-JOB 53
-COORDS  1.3347720000e+00  2.1257600000e-01  1.0028640000e+00  1.2393940000e+00  5.7999100000e-01  1.8815800000e+00  2.2509000000e+00 -6.0669000000e-02  9.5513200000e-01 -1.3683210000e+00 -2.7812600000e-01 -1.0357310000e+00 -8.4306200000e-01  5.0884500000e-01 -8.9077700000e-01 -2.1744280000e+00  4.2512000000e-02 -1.4402250000e+00
-ENERGY -1.526556596954e+02
-FORCES  3.8811000000e-03 -1.1563000000e-03  4.1393000000e-03  5.1440000000e-04 -1.1482000000e-03 -3.8979000000e-03 -3.7521000000e-03  1.4238000000e-03  5.0990000000e-04  9.3800000000e-04  4.5527000000e-03  5.2200000000e-05 -4.8250000000e-03 -2.4186000000e-03 -2.6936000000e-03  3.2435000000e-03 -1.2535000000e-03  1.8902000000e-03
-
-JOB 54
-COORDS  1.2493910000e+00 -1.2389140000e+00 -4.7469900000e-01  8.4896700000e-01 -2.0663400000e+00 -2.0775300000e-01  5.2140400000e-01 -7.1869800000e-01 -8.1476100000e-01 -1.1504950000e+00  1.2702450000e+00  4.2346200000e-01 -7.3185700000e-01  1.0046110000e+00  1.2422490000e+00 -2.0858420000e+00  1.2859250000e+00  6.2622600000e-01
-ENERGY -1.526575180119e+02
-FORCES -5.3608000000e-03 -1.1390000000e-04 -1.3354000000e-03  1.5810000000e-03  3.1907000000e-03 -5.7980000000e-04  4.7484000000e-03 -4.3890000000e-03  1.0337000000e-03 -2.2446000000e-03  7.3580000000e-04  5.4758000000e-03 -2.8068000000e-03  9.6910000000e-04 -3.8360000000e-03  4.0829000000e-03 -3.9280000000e-04 -7.5830000000e-04
-
-JOB 55
-COORDS -1.4476800000e-01 -9.5661600000e-01 -1.5410600000e+00  1.7596200000e-01 -1.7400100000e-01 -1.0928650000e+00 -7.3580100000e-01 -6.2172400000e-01 -2.2154200000e+00  1.3653600000e-01  9.4434000000e-01  1.5295170000e+00  1.0079150000e+00  7.7167300000e-01  1.8860520000e+00 -3.2668200000e-01  1.1093000000e-01  1.6137140000e+00
-ENERGY -1.526580892572e+02
-FORCES -8.0260000000e-04  5.6797000000e-03 -9.8090000000e-04 -1.3636000000e-03 -5.3952000000e-03 -3.3850000000e-03  2.2595000000e-03 -1.4196000000e-03  2.5762000000e-03  1.0541000000e-03 -4.0097000000e-03  4.6799000000e-03 -3.7367000000e-03  7.1540000000e-04 -2.0756000000e-03  2.5893000000e-03  4.4294000000e-03 -8.1460000000e-04
-
-JOB 56
-COORDS  1.0268200000e+00  1.6498000000e-02  1.4821990000e+00  3.7792200000e-01 -3.5746100000e-01  2.0782840000e+00  1.4314790000e+00 -7.4208100000e-01  1.0614360000e+00 -9.5240600000e-01  2.9220000000e-02 -1.5095830000e+00 -1.7163490000e+00  5.3422000000e-02 -2.0858100000e+00 -1.2788000000e+00  3.4007600000e-01 -6.6514900000e-01
-ENERGY -1.526553626574e+02
-FORCES  6.9210000000e-04 -5.3793000000e-03 -3.4000000000e-06  1.8073000000e-03  2.0764000000e-03 -2.9736000000e-03 -1.3741000000e-03  3.0606000000e-03  2.9919000000e-03 -3.6229000000e-03  2.5114000000e-03  1.8074000000e-03  3.1580000000e-03 -1.6470000000e-04  2.5581000000e-03 -6.6040000000e-04 -2.1043000000e-03 -4.3804000000e-03
-
-JOB 57
-COORDS -3.3756800000e-01  1.0650120000e+00 -1.6255890000e+00 -1.1099760000e+00  5.0776800000e-01 -1.7209580000e+00 -1.5952400000e-01  1.0694990000e+00 -6.8510400000e-01  4.2617400000e-01 -1.0151200000e+00  1.5367480000e+00 -3.5901500000e-01 -1.4884570000e+00  1.2616790000e+00  2.8767600000e-01 -8.4109400000e-01  2.4677500000e+00
-ENERGY -1.526556667559e+02
-FORCES -1.1049000000e-03 -2.7178000000e-03  4.4484000000e-03  2.6703000000e-03  1.9533000000e-03  3.5470000000e-04 -2.1780000000e-03  1.4433000000e-03 -5.3107000000e-03 -2.7870000000e-03 -3.1812000000e-03  4.1019000000e-03  2.9803000000e-03  3.0828000000e-03  7.1280000000e-04  4.1930000000e-04 -5.8030000000e-04 -4.3071000000e-03
-
-JOB 58
-COORDS  2.1111000000e-02  1.8864670000e+00  1.3662600000e-01 -7.9983100000e-01  2.0484120000e+00  6.0144700000e-01  5.3078900000e-01  2.6866460000e+00  2.6380400000e-01 -1.2774000000e-02 -1.9993490000e+00 -1.8651200000e-01 -5.6977400000e-01 -1.2538330000e+00 -4.1054300000e-01  6.7567600000e-01 -1.6274400000e+00  3.6480700000e-01
-ENERGY -1.526565637899e+02
-FORCES -7.1890000000e-04  5.6136000000e-03  2.1899000000e-03  3.4968000000e-03 -1.3408000000e-03 -2.1388000000e-03 -2.3688000000e-03 -3.2722000000e-03 -2.7840000000e-04  1.2306000000e-03  6.3987000000e-03  8.7210000000e-04  7.6450000000e-04 -4.4671000000e-03  9.6570000000e-04 -2.4042000000e-03 -2.9321000000e-03 -1.6105000000e-03
-
-JOB 59
-COORDS -4.8460000000e-03 -2.0372900000e-01 -1.9278260000e+00  2.7774000000e-02 -1.0981560000e+00 -2.2671900000e+00 -9.3908600000e-01 -6.5010000000e-03 -1.8605410000e+00  1.9365000000e-02  1.8876900000e-01  1.9637120000e+00  8.4681700000e-01  1.7624700000e-01  1.4826740000e+00 -1.6142900000e-01  1.1178960000e+00  2.1060800000e+00
-ENERGY -1.526555440153e+02
-FORCES -4.5430000000e-03 -3.2446000000e-03 -6.1380000000e-04  4.4800000000e-05  3.6721000000e-03  1.2171000000e-03  3.8611000000e-03 -5.1620000000e-04 -1.1155000000e-03  3.2077000000e-03  3.5668000000e-03 -2.7732000000e-03 -2.9501000000e-03  1.2660000000e-04  3.6680000000e-03  3.7950000000e-04 -3.6047000000e-03 -3.8260000000e-04
-
-JOB 60
-COORDS -1.2838100000e+00  3.5168500000e-01 -1.5153920000e+00 -1.7419430000e+00  7.0666400000e-01 -7.5359500000e-01 -7.5555200000e-01 -3.6555000000e-01 -1.1650360000e+00  1.2996140000e+00 -2.7101500000e-01  1.4769300000e+00  1.5440000000e+00 -1.1463010000e+00  1.7775670000e+00  7.3220300000e-01 -4.2634300000e-01  7.2184700000e-01
-ENERGY -1.526521790298e+02
-FORCES -1.0265000000e-03 -8.3880000000e-04  3.7144000000e-03  2.4779000000e-03 -2.1212000000e-03 -3.5128000000e-03 -7.0800000000e-04  3.2971000000e-03  4.5470000000e-04 -2.0880000000e-04 -4.1464000000e-03 -1.4912000000e-03 -1.2912000000e-03  3.9215000000e-03 -1.5089000000e-03  7.5650000000e-04 -1.1220000000e-04  2.3439000000e-03
-
-JOB 61
-COORDS -5.1917600000e-01 -9.5858400000e-01  1.6560510000e+00 -1.2950200000e+00 -3.9943600000e-01  1.6154080000e+00  1.8058000000e-02 -5.7364900000e-01  2.3484640000e+00  5.7278600000e-01  9.2517400000e-01 -1.7365110000e+00 -1.3487600000e-01  1.4130450000e+00 -1.3152890000e+00  5.0100800000e-01  4.0592000000e-02 -1.3779090000e+00
-ENERGY -1.526558041615e+02
-FORCES -9.9700000000e-04  3.2209000000e-03  4.6306000000e-03  3.6380000000e-03 -1.9773000000e-03 -7.7860000000e-04 -2.5797000000e-03 -1.6031000000e-03 -3.0452000000e-03 -3.0697000000e-03 -2.7197000000e-03  3.9735000000e-03  2.4801000000e-03 -1.2952000000e-03 -1.6958000000e-03  5.2820000000e-04  4.3744000000e-03 -3.0845000000e-03
-
-JOB 62
-COORDS  4.9874200000e-01  1.6887580000e+00 -9.6489100000e-01  1.3977030000e+00  1.9388500000e+00 -7.5145600000e-01  5.6828300000e-01  7.8649200000e-01 -1.2768410000e+00 -5.2972600000e-01 -1.6155360000e+00  1.0205040000e+00 -1.0027620000e+00 -2.4462220000e+00  1.0698000000e+00 -3.6934800000e-01 -1.4857950000e+00  8.5797000000e-02
-ENERGY -1.526525981998e+02
-FORCES  4.4493000000e-03 -2.1692000000e-03  4.9410000000e-04 -3.7858000000e-03 -8.6820000000e-04 -1.3105000000e-03 -1.0282000000e-03  2.5018000000e-03  1.2884000000e-03 -2.1494000000e-03 -2.7336000000e-03 -3.3626000000e-03  2.0824000000e-03  3.5750000000e-03 -1.1910000000e-04  4.3170000000e-04 -3.0580000000e-04  3.0096000000e-03
-
-JOB 63
-COORDS -1.0426080000e+00  8.4309000000e-01  1.4571900000e+00 -1.7100420000e+00  1.2896120000e+00  1.9781330000e+00 -1.3425700000e+00 -6.4669000000e-02  1.4099940000e+00  1.1498170000e+00 -8.6632400000e-01 -1.4756420000e+00  6.5593700000e-01 -6.9766700000e-01 -2.2780570000e+00  8.2475100000e-01 -2.1634600000e-01 -8.5267100000e-01
-ENERGY -1.526565398560e+02
-FORCES -4.6534000000e-03 -1.2832000000e-03  3.4424000000e-03  2.5720000000e-03 -2.1416000000e-03 -2.0745000000e-03  1.5555000000e-03  4.2590000000e-03 -4.8130000000e-04 -2.9808000000e-03  4.4765000000e-03 -3.7000000000e-04  1.8725000000e-03 -9.8640000000e-04  3.0396000000e-03  1.6342000000e-03 -4.3242000000e-03 -3.5562000000e-03
-
-JOB 64
-COORDS -1.1228260000e+00  8.0143300000e-01 -1.4647560000e+00 -2.0159610000e+00  9.4047400000e-01 -1.1497800000e+00 -6.8709700000e-01  1.6429900000e+00 -1.3300220000e+00  1.1801530000e+00 -8.7823200000e-01  1.4987250000e+00  1.4974510000e+00 -2.6469700000e-01  8.3605700000e-01  3.4675300000e-01 -1.1964440000e+00  1.1517130000e+00
-ENERGY -1.526559520116e+02
-FORCES -2.9695000000e-03  4.9285000000e-03  8.0580000000e-04  3.9499000000e-03 -7.7230000000e-04 -1.2133000000e-03 -1.3726000000e-03 -3.9908000000e-03 -2.3560000000e-04 -2.7395000000e-03  1.0550000000e-03 -5.4745000000e-03 -3.0470000000e-04 -1.8530000000e-03  3.3609000000e-03  3.4365000000e-03  6.3260000000e-04  2.7568000000e-03
-
-JOB 65
-COORDS  3.4820200000e-01 -1.8439980000e+00  8.6674700000e-01 -4.9584600000e-01 -2.2254300000e+00  1.1082530000e+00  4.9832400000e-01 -1.1604650000e+00  1.5197990000e+00 -2.7998400000e-01  1.8869680000e+00 -9.3026600000e-01 -9.7307000000e-02  1.0454210000e+00 -1.3481900000e+00 -9.6657700000e-01  1.6938650000e+00 -2.9188300000e-01
-ENERGY -1.526553583410e+02
-FORCES -1.8928000000e-03  2.2170000000e-04  4.7350000000e-03  3.3697000000e-03  2.1051000000e-03 -1.3117000000e-03 -1.2900000000e-03 -2.8800000000e-03 -3.0924000000e-03 -1.8174000000e-03 -5.1096000000e-03  3.7810000000e-04 -1.0445000000e-03  4.5353000000e-03  1.2819000000e-03  2.6750000000e-03  1.1275000000e-03 -1.9909000000e-03
-
-JOB 66
-COORDS  1.5180330000e+00 -1.3935850000e+00  2.3411500000e-01  1.2671320000e+00 -1.4011870000e+00  1.1578150000e+00  2.2735010000e+00 -1.9793900000e+00  1.8580800000e-01 -1.5483620000e+00  1.4722930000e+00 -3.2686300000e-01 -1.3959820000e+00  1.5782550000e+00  6.1217100000e-01 -1.6574080000e+00  5.2898800000e-01 -4.4735300000e-01
-ENERGY -1.526541589738e+02
-FORCES  3.1411000000e-03 -2.5191000000e-03  3.2972000000e-03  3.2250000000e-04  2.3920000000e-04 -3.8850000000e-03 -3.2040000000e-03  2.4290000000e-03  3.3140000000e-04  1.3844000000e-03 -4.0775000000e-03  2.7463000000e-03 -9.1380000000e-04 -3.1510000000e-04 -3.3725000000e-03 -7.3020000000e-04  4.2434000000e-03  8.8260000000e-04
-
-JOB 67
-COORDS  6.1886200000e-01 -1.5748460000e+00 -1.2473500000e+00  1.4014610000e+00 -2.0088950000e+00 -9.0768500000e-01  4.6984000000e-02 -2.2916220000e+00 -1.5219760000e+00 -5.9243800000e-01  1.6746050000e+00  1.2882950000e+00 -8.8438700000e-01  7.6724000000e-01  1.3759660000e+00 -9.4994200000e-01  1.9616140000e+00  4.4802800000e-01
-ENERGY -1.526551102715e+02
-FORCES  1.9382000000e-03 -4.9161000000e-03 -1.3180000000e-04 -3.5037000000e-03  1.5378000000e-03 -1.4934000000e-03  2.0906000000e-03  3.2257000000e-03  1.4064000000e-03 -1.8758000000e-03 -3.4851000000e-03 -4.2715000000e-03  4.7340000000e-04  4.0296000000e-03  7.8220000000e-04  8.7730000000e-04 -3.9190000000e-04  3.7081000000e-03
-
-JOB 68
-COORDS  9.5819500000e-01  1.1291720000e+00  1.6242330000e+00  7.9980500000e-01  1.6714520000e+00  2.3969400000e+00  1.8891620000e+00  1.2467440000e+00  1.4352650000e+00 -1.0138530000e+00 -1.0971850000e+00 -1.6556200000e+00 -4.4580800000e-01 -1.5730370000e+00 -2.2615260000e+00 -1.3576630000e+00 -1.7712740000e+00 -1.0694200000e+00
-ENERGY -1.526532170859e+02
-FORCES  3.0644000000e-03  2.9210000000e-03  1.7857000000e-03  5.7820000000e-04 -2.3553000000e-03 -3.1139000000e-03 -3.6788000000e-03 -5.6330000000e-04  9.8900000000e-04  1.2148000000e-03 -4.3702000000e-03  9.0810000000e-04 -2.2498000000e-03  1.9700000000e-03  2.2737000000e-03  1.0713000000e-03  2.3979000000e-03 -2.8427000000e-03
-
-JOB 69
-COORDS -1.0191250000e+00 -2.1181900000e+00  3.9042900000e-01 -1.3678480000e+00 -2.3626460000e+00  1.2476720000e+00 -1.9750300000e-01 -1.6673950000e+00  5.8524300000e-01  9.9093800000e-01  2.0527810000e+00 -4.0115800000e-01  3.7132800000e-01  2.2642430000e+00 -1.0994410000e+00  1.6623380000e+00  2.7322900000e+00 -4.6216600000e-01
-ENERGY -1.526553145581e+02
-FORCES  2.3540000000e-03  1.5477000000e-03  4.2498000000e-03  1.2835000000e-03  8.0860000000e-04 -3.3893000000e-03 -3.6762000000e-03 -2.8636000000e-03 -6.1760000000e-04 -2.6000000000e-05  3.8909000000e-03 -3.4332000000e-03  2.8186000000e-03 -6.2100000000e-04  2.9241000000e-03 -2.7539000000e-03 -2.7626000000e-03  2.6620000000e-04
-
-JOB 70
-COORDS  1.6307000000e-02 -1.7373600000e-01  2.3794130000e+00 -2.7873000000e-02  2.8175600000e-01  3.2201310000e+00  6.6980700000e-01 -8.6035900000e-01  2.5125220000e+00 -2.1754000000e-02  2.1121000000e-01 -2.4871870000e+00  3.4677300000e-01  1.1566000000e-01 -1.6089560000e+00 -9.1517200000e-01 -1.2363800000e-01 -2.4102850000e+00
-ENERGY -1.526554126492e+02
-FORCES  2.3275000000e-03 -6.7880000000e-04  4.8413000000e-03  2.5320000000e-04 -2.0589000000e-03 -3.3949000000e-03 -2.7071000000e-03  2.8948000000e-03 -9.3750000000e-04 -2.3767000000e-03 -1.4524000000e-03  4.7243000000e-03 -9.9110000000e-04  9.2000000000e-05 -4.4347000000e-03  3.4941000000e-03  1.2033000000e-03 -7.9850000000e-04
-
-JOB 71
-COORDS -8.2573800000e-01  1.3259880000e+00 -1.9651870000e+00 -1.1514900000e-01  1.6303290000e+00 -1.4006770000e+00 -1.6190570000e+00  1.6831930000e+00 -1.5660880000e+00  8.2644800000e-01 -1.3133250000e+00  1.9657640000e+00  1.3284650000e+00 -2.1271740000e+00  1.9226150000e+00  3.5603500000e-01 -1.2770810000e+00  1.1329200000e+00
-ENERGY -1.526550443896e+02
-FORCES -4.2450000000e-04  3.6280000000e-03  3.5507000000e-03 -3.0647000000e-03 -1.8187000000e-03 -2.3340000000e-03  3.3040000000e-03 -1.7130000000e-03 -1.6207000000e-03  5.1900000000e-05 -3.6440000000e-03 -3.6670000000e-03 -2.0086000000e-03  3.3241000000e-03  2.4670000000e-04  2.1420000000e-03  2.2370000000e-04  3.8244000000e-03
-
-JOB 72
-COORDS  8.8626700000e-01  1.9574320000e+00  1.3208100000e+00  1.7973910000e+00  1.6747630000e+00  1.2421780000e+00  9.3312400000e-01  2.7907890000e+00  1.7893740000e+00 -9.1681400000e-01 -2.0575300000e+00 -1.3424050000e+00 -1.7461300000e+00 -1.6993670000e+00 -1.0258840000e+00 -4.3576800000e-01 -1.2969220000e+00 -1.6684460000e+00
-ENERGY -1.526547929250e+02
-FORCES  4.0743000000e-03  2.2339000000e-03  2.0553000000e-03 -3.7951000000e-03  1.2910000000e-03  9.2800000000e-05 -1.8200000000e-04 -3.4082000000e-03 -1.9597000000e-03 -1.3815000000e-03  5.1500000000e-03  5.3850000000e-04  3.0654000000e-03 -1.8021000000e-03 -1.5568000000e-03 -1.7811000000e-03 -3.4646000000e-03  8.2980000000e-04
-
-JOB 73
-COORDS -5.4925000000e-01 -6.1762600000e-01  2.4802030000e+00  2.7860000000e-01 -9.2708500000e-01  2.8478050000e+00 -7.9185700000e-01  1.2794000000e-01  3.0292990000e+00  5.2648600000e-01  5.4171800000e-01 -2.4947110000e+00  1.0697660000e+00  1.3257820000e+00 -2.5742220000e+00 -2.1025900000e-01  6.9935700000e-01 -3.0851250000e+00
-ENERGY -1.526534097373e+02
-FORCES  2.6850000000e-03  1.7899000000e-03  3.2279000000e-03 -3.4498000000e-03  1.2446000000e-03 -1.2221000000e-03  8.9450000000e-04 -3.0088000000e-03 -2.1629000000e-03 -1.1508000000e-03  3.7392000000e-03 -2.3707000000e-03 -2.0909000000e-03 -3.1806000000e-03  2.9540000000e-04  3.1120000000e-03 -5.8430000000e-04  2.2324000000e-03
-
-JOB 74
-COORDS  5.3345100000e-01 -1.9176930000e+00 -1.7475130000e+00 -3.2245600000e-01 -2.3460350000e+00 -1.7341470000e+00  1.0496360000e+00 -2.3925090000e+00 -1.0961030000e+00 -5.4197500000e-01  2.0199950000e+00  1.7464360000e+00  1.3355300000e-01  1.4377730000e+00  2.0941600000e+00 -6.9756800000e-01  1.7027240000e+00  8.5685100000e-01
-ENERGY -1.526547082432e+02
-FORCES -1.2220000000e-03 -4.4352000000e-03  2.0600000000e-03  3.5642000000e-03  2.0342000000e-03  1.5310000000e-04 -2.2364000000e-03  2.2947000000e-03 -2.4505000000e-03  2.3614000000e-03 -3.6204000000e-03 -2.7101000000e-03 -2.7692000000e-03  2.2688000000e-03 -1.0832000000e-03  3.0200000000e-04  1.4579000000e-03  4.0308000000e-03
-
-JOB 75
-COORDS  1.5688800000e-01 -2.7036110000e+00 -5.6254000000e-02  2.0090000000e-03 -2.5459260000e+00 -9.8758600000e-01 -6.3929600000e-01 -2.3936220000e+00  3.7528800000e-01 -7.0927000000e-02  2.6930800000e+00  1.3058100000e-01 -4.2858000000e-01  3.3052720000e+00 -5.1248800000e-01 -3.8163600000e-01  1.8345130000e+00 -1.5673900000e-01
-ENERGY -1.526535973594e+02
-FORCES -3.7271000000e-03  1.2237000000e-03 -1.8290000000e-03  5.2820000000e-04 -2.4270000000e-04  3.9216000000e-03  3.3173000000e-03 -8.7650000000e-04 -2.0673000000e-03 -2.3845000000e-03 -9.5370000000e-04 -3.7591000000e-03  1.4220000000e-03 -2.6137000000e-03  2.6374000000e-03  8.4420000000e-04  3.4630000000e-03  1.0965000000e-03
-
-JOB 76
-COORDS  5.5242200000e-01 -8.3673800000e-01  2.7847670000e+00  5.0163000000e-02 -4.8344900000e-01  2.0504960000e+00  1.4316520000e+00 -4.7627900000e-01  2.6696330000e+00 -5.4302300000e-01  7.7251500000e-01 -2.6864400000e+00 -1.4651770000e+00  1.0290360000e+00 -2.6785720000e+00 -2.5507900000e-01  9.3964900000e-01 -3.5838730000e+00
-ENERGY -1.526547958531e+02
-FORCES  1.5819000000e-03  2.8970000000e-03 -4.0068000000e-03  1.8391000000e-03 -1.4339000000e-03  3.4800000000e-03 -3.4372000000e-03 -1.4605000000e-03  7.5380000000e-04 -2.5920000000e-03  1.6635000000e-03 -4.0665000000e-03  3.8324000000e-03 -1.0381000000e-03  1.5210000000e-04 -1.2241000000e-03 -6.2810000000e-04  3.6874000000e-03
-
-JOB 77
-COORDS -1.6750730000e+00 -1.6701300000e-01 -2.4184200000e+00 -1.7836640000e+00  3.7369100000e-01 -1.6360650000e+00 -2.1403560000e+00 -9.7859000000e-01 -2.2157230000e+00  1.6632280000e+00  1.9902900000e-01  2.3190330000e+00  1.9791300000e+00  7.1891400000e-01  3.0580580000e+00  2.1617770000e+00 -6.1656900000e-01  2.3688400000e+00
-ENERGY -1.526544339329e+02
-FORCES -1.9484000000e-03 -9.7120000000e-04  4.4597000000e-03  2.3600000000e-05 -2.1760000000e-03 -3.5176000000e-03  1.7774000000e-03  3.1743000000e-03 -9.7520000000e-04  3.6319000000e-03 -1.2089000000e-03  3.0977000000e-03 -1.3612000000e-03 -2.1346000000e-03 -2.9956000000e-03 -2.1233000000e-03  3.3164000000e-03 -6.8900000000e-05
-
-JOB 78
-COORDS  6.9120400000e-01  2.9333460000e+00  4.6918900000e-01  1.4347990000e+00  2.3438610000e+00  3.4347100000e-01  1.8614300000e-01  2.5347860000e+00  1.1779160000e+00 -7.4887200000e-01 -2.8440270000e+00 -4.6638400000e-01  1.8043000000e-01 -2.6369470000e+00 -5.6511300000e-01 -8.7770700000e-01 -3.6289990000e+00 -9.9878700000e-01
-ENERGY -1.526540716854e+02
-FORCES  6.2960000000e-04 -4.1391000000e-03  2.4026000000e-03 -2.8609000000e-03  2.3408000000e-03  4.3830000000e-04  2.2729000000e-03  1.7749000000e-03 -2.8329000000e-03  3.0680000000e-03 -2.5355000000e-03 -2.8601000000e-03 -3.6956000000e-03 -6.4760000000e-04  6.2520000000e-04  5.8600000000e-04  3.2065000000e-03  2.2269000000e-03
-
-JOB 79
-COORDS -3.9798500000e-01  1.2813600000e-01 -3.3770540000e+00 -8.9414000000e-02 -1.7236500000e-01 -4.2318730000e+00 -1.3461730000e+00  2.0999600000e-01 -3.4793760000e+00  3.9177800000e-01 -1.2660300000e-01  3.4895630000e+00  8.8710900000e-01  6.6867100000e-01  3.2935540000e+00  6.1105700000e-01 -7.2753100000e-01  2.7774990000e+00
-ENERGY -1.526544731880e+02
-FORCES -2.7274000000e-03 -8.4640000000e-04 -4.0179000000e-03 -1.2334000000e-03  1.2136000000e-03  3.5179000000e-03  3.9194000000e-03 -3.5270000000e-04  4.0960000000e-04  2.8832000000e-03  8.3840000000e-04 -4.0178000000e-03 -1.9758000000e-03 -3.1894000000e-03  9.8530000000e-04 -8.6590000000e-04  2.3365000000e-03  3.1229000000e-03
-
-JOB 80
-COORDS -9.4565500000e-01  3.5008880000e+00  6.5234300000e-01 -1.4298120000e+00  4.0529090000e+00  3.8261000000e-02 -2.7185000000e-02  3.7268160000e+00  5.0537600000e-01  8.9571700000e-01 -3.5221500000e+00 -6.6590100000e-01  4.4706800000e-01 -3.6961840000e+00  1.6154000000e-01  1.8077610000e+00 -3.7599720000e+00 -4.9902100000e-01
-ENERGY -1.526540596720e+02
-FORCES  1.7884000000e-03  3.0174000000e-03 -3.2832000000e-03  1.9577000000e-03 -2.1782000000e-03  2.5576000000e-03 -3.7292000000e-03 -8.3480000000e-04  6.9210000000e-04  1.7526000000e-03 -1.5335000000e-03  4.1674000000e-03  1.8973000000e-03  5.6970000000e-04 -3.4079000000e-03 -3.6668000000e-03  9.5940000000e-04 -7.2590000000e-04
-
-JOB 81
-COORDS  2.5543800000e-01 -3.1764840000e+00 -2.2054290000e+00  1.1425090000e+00 -2.9699340000e+00 -1.9110240000e+00 -2.8633000000e-01 -2.4738280000e+00 -1.8462710000e+00 -2.7429800000e-01  3.1852920000e+00  2.2035220000e+00 -7.5490000000e-02  3.0393680000e+00  1.2786360000e+00 -4.4596100000e-01  2.3108450000e+00  2.5529600000e+00
-ENERGY -1.526537418436e+02
-FORCES  1.4427000000e-03  3.5406000000e-03  2.5349000000e-03 -3.7122000000e-03 -7.3860000000e-04 -1.1384000000e-03  2.2593000000e-03 -2.7505000000e-03 -1.3588000000e-03  5.6300000000e-05 -3.9874000000e-03 -2.2229000000e-03 -7.9750000000e-04  4.2740000000e-04  3.7591000000e-03  7.5140000000e-04  3.5084000000e-03 -1.5739000000e-03
-
-JOB 82
-COORDS  4.6674000000e-02  3.3972140000e+00  1.9689410000e+00  8.5558500000e-01  3.8640820000e+00  2.1785320000e+00 -5.9387600000e-01  3.7336870000e+00  2.5956110000e+00 -5.1891000000e-02 -3.3809570000e+00 -1.9968700000e+00  1.3277500000e-01 -4.1689130000e+00 -1.4857380000e+00 -2.8544000000e-01 -3.7077590000e+00 -2.8657120000e+00
-ENERGY -1.526537607967e+02
-FORCES  6.9740000000e-04  3.1630000000e-03  3.3363000000e-03 -3.3058000000e-03 -1.8674000000e-03 -8.2920000000e-04  2.6109000000e-03 -1.3460000000e-03 -2.5393000000e-03 -2.1500000000e-04 -4.4328000000e-03 -1.3892000000e-03 -7.4660000000e-04  3.1732000000e-03 -2.1101000000e-03  9.5910000000e-04  1.3099000000e-03  3.5314000000e-03
-
-JOB 83
-COORDS -4.0230000000e-03  3.8653070000e+00  8.4081100000e-01  1.6222500000e-01  4.7354050000e+00  1.2034720000e+00 -7.5252600000e-01  3.9877030000e+00  2.5686300000e-01  8.3175000000e-02 -3.9181500000e+00 -7.7233200000e-01  2.7282000000e-01 -4.1737810000e+00 -1.6750610000e+00 -8.5520400000e-01 -3.7293060000e+00 -7.6847400000e-01
-ENERGY -1.526538768659e+02
-FORCES -2.3133000000e-03  4.0089000000e-03 -8.6940000000e-04 -6.9450000000e-04 -3.5449000000e-03 -1.4931000000e-03  3.0208000000e-03 -5.0520000000e-04  2.3626000000e-03 -3.0091000000e-03 -9.6100000000e-05 -3.6078000000e-03 -7.8930000000e-04  9.9270000000e-04  3.6650000000e-03  3.7853000000e-03 -8.5550000000e-04 -5.7400000000e-05
-
-JOB 84
-COORDS -4.9420700000e-01  4.1321170000e+00 -1.3298650000e+00 -1.3692830000e+00  3.7579470000e+00 -1.2275390000e+00 -2.5849000000e-01  4.4346200000e+00 -4.5284600000e-01  5.0349000000e-01 -4.0729860000e+00  1.3074260000e+00  1.3997770000e+00 -4.2343410000e+00  1.0126930000e+00  2.3821000000e-02 -4.8638620000e+00  1.0611250000e+00
-ENERGY -1.526541683385e+02
-FORCES -2.5941000000e-03 -4.5530000000e-04  4.0749000000e-03  3.5302000000e-03  1.6143000000e-03 -4.6990000000e-04 -9.5280000000e-04 -1.1432000000e-03 -3.5974000000e-03  1.7538000000e-03 -3.8741000000e-03 -2.2708000000e-03 -3.6672000000e-03  6.3100000000e-04  1.2391000000e-03  1.9301000000e-03  3.2274000000e-03  1.0241000000e-03
-
-JOB 85
-COORDS  5.4635700000e-01 -3.8804140000e+00 -1.9905820000e+00  5.3528900000e-01 -4.7884420000e+00 -2.2932300000e+00  1.0453890000e+00 -3.9056330000e+00 -1.1741490000e+00 -5.5918200000e-01  3.8834610000e+00  1.9185890000e+00 -7.1572200000e-01  4.7842790000e+00  1.6352980000e+00 -7.0443800000e-01  3.9006970000e+00  2.8645460000e+00
-ENERGY -1.526539529638e+02
-FORCES  1.9918000000e-03 -3.6684000000e-03  2.1744000000e-03  3.6400000000e-05  3.6852000000e-03  1.2121000000e-03 -2.0201000000e-03 -5.4000000000e-06 -3.3611000000e-03 -1.2788000000e-03  3.7306000000e-03  2.6178000000e-03  6.5280000000e-04 -3.6600000000e-03  1.1926000000e-03  6.1800000000e-04 -8.1900000000e-05 -3.8358000000e-03
-
-JOB 86
-COORDS  6.1791000000e-01  4.3507290000e+00  1.5987590000e+00  2.9172700000e-01  5.0111400000e+00  2.2100650000e+00  1.3012370000e+00  3.8898620000e+00  2.0854810000e+00 -6.8288000000e-01 -4.3122780000e+00 -1.6336950000e+00 -7.0976000000e-02 -4.8519230000e+00 -1.1331060000e+00 -5.6035700000e-01 -4.5898160000e+00 -2.5415450000e+00
-ENERGY -1.526539618652e+02
-FORCES  1.3962000000e-03  7.0910000000e-04  4.4668000000e-03  1.3484000000e-03 -2.6642000000e-03 -2.4943000000e-03 -2.7457000000e-03  1.9328000000e-03 -1.9701000000e-03  2.9948000000e-03 -3.2539000000e-03 -1.6974000000e-03 -2.4939000000e-03  2.1836000000e-03 -2.0200000000e-03 -4.9990000000e-04  1.0927000000e-03  3.7150000000e-03
-
-JOB 87
-COORDS -1.9815220000e+00  4.5756750000e+00  1.0450560000e+00 -2.0339790000e+00  3.7106400000e+00  6.3861400000e-01 -1.0545460000e+00  4.6854640000e+00  1.2569380000e+00  1.9634830000e+00 -4.4782110000e+00 -1.0079870000e+00  1.7279390000e+00 -4.6292460000e+00 -1.9233770000e+00  1.5824720000e+00 -5.2191520000e+00 -5.3674600000e-01
-ENERGY -1.526541993080e+02
-FORCES  3.6225000000e-03 -3.1326000000e-03 -7.8440000000e-04  1.6030000000e-04  3.5526000000e-03  1.6428000000e-03 -3.7952000000e-03 -4.0260000000e-04 -8.5870000000e-04 -2.4646000000e-03 -3.7343000000e-03 -1.8212000000e-03  9.3970000000e-04  6.6170000000e-04  3.7433000000e-03  1.5373000000e-03  3.0551000000e-03 -1.9218000000e-03
-
-JOB 88
-COORDS -8.3361400000e-01  4.5701100000e-01  5.0504350000e+00 -6.9834600000e-01  1.2613310000e+00  5.5514380000e+00 -1.4828350000e+00 -3.3451000000e-02  5.5546070000e+00  9.0716100000e-01 -4.4801500000e-01 -5.0630990000e+00  8.2401900000e-01 -2.1104600000e-01 -5.9867690000e+00  2.4768800000e-01 -1.1288480000e+00 -4.9297080000e+00
-ENERGY -1.526539881553e+02
-FORCES -2.0560000000e-03  1.3103000000e-03  4.0684000000e-03 -5.7070000000e-04 -3.2925000000e-03 -2.0220000000e-03  2.6359000000e-03  1.9887000000e-03 -2.0584000000e-03 -3.0516000000e-03 -1.8166000000e-03 -3.1295000000e-03  3.4860000000e-04 -9.6030000000e-04  3.7500000000e-03  2.6939000000e-03  2.7704000000e-03 -6.0860000000e-04
-
-JOB 89
-COORDS -8.4388960000e+00 -9.5964500000e+00 -6.5304680000e+00 -8.0215600000e+00 -8.8011270000e+00 -6.8614120000e+00 -7.8650760000e+00 -1.0306312000e+01 -6.8186670000e+00  8.4163290000e+00  9.5358200000e+00  6.5403400000e+00  7.5516630000e+00  9.5736360000e+00  6.9491850000e+00  8.7229720000e+00  1.0442569000e+01  6.5431240000e+00
-ENERGY -1.526540776709e+02
-FORCES  4.0458000000e-03  3.4870000000e-04 -2.5242000000e-03 -1.7039000000e-03 -3.2440000000e-03  1.3492000000e-03 -2.3419000000e-03  2.8952000000e-03  1.1748000000e-03 -2.2764000000e-03  3.8533000000e-03  1.6817000000e-03  3.5272000000e-03 -1.5440000000e-04 -1.6690000000e-03 -1.2507000000e-03 -3.6989000000e-03 -1.2500000000e-05
-
-JOB 0
-COORDS  6.0092900000e-01 -1.0376130000e+00 -3.0652400000e-01  1.0243820000e+00 -1.6668810000e+00  2.7737800000e-01  6.0024200000e-01 -1.4668870000e+00 -1.1620670000e+00 -6.7205700000e-01  1.1206070000e+00  3.7311400000e-01 -2.7524200000e-01  1.6542970000e+00 -3.1532300000e-01 -2.9782800000e-01  2.4872500000e-01  2.4659800000e-01
-ENERGY -1.526575786865e+02
-FORCES -6.5061000000e-03  8.6269000000e-03  1.9341000000e-03 -2.4212000000e-03  2.6459000000e-03 -4.1707000000e-03  1.7411000000e-03  1.2297000000e-03  4.8788000000e-03  1.1436200000e-02 -1.5296100000e-02 -7.1204000000e-03 -1.3772000000e-03 -1.1005000000e-03  9.5120000000e-04 -2.8728000000e-03  3.8941000000e-03  3.5269000000e-03
-
-JOB 1
-COORDS  1.0648830000e+00  5.9843000000e-01  5.5496200000e-01  7.5342900000e-01  1.2020030000e+00  1.2294460000e+00  2.6917900000e-01  2.9779800000e-01  1.1597800000e-01 -1.0170600000e+00 -5.6062800000e-01 -5.2515700000e-01 -9.8443100000e-01 -1.4880260000e+00 -2.9042300000e-01 -7.6081400000e-01 -5.3727300000e-01 -1.4471240000e+00
-ENERGY -1.526587486297e+02
-FORCES -1.7702500000e-02 -7.6020000000e-03 -6.3518000000e-03 -5.5000000000e-04 -2.3124000000e-03 -2.1140000000e-03  9.0200000000e-03  4.8463000000e-03  1.1650000000e-04  8.8107000000e-03 -4.3220000000e-04  3.9147000000e-03 -3.7710000000e-04  4.9292000000e-03 -2.4782000000e-03  7.9890000000e-04  5.7100000000e-04  6.9128000000e-03
-
-JOB 2
-COORDS  1.0536890000e+00  6.9616100000e-01 -1.2639600000e-01  7.1138200000e-01  1.5722010000e+00  5.1400000000e-02  1.7262920000e+00  5.6127100000e-01  5.4116800000e-01 -1.1371030000e+00 -7.1190800000e-01  8.5975000000e-02 -9.2365600000e-01 -1.6446170000e+00  1.1290900000e-01 -3.1299900000e-01 -2.8372000000e-01 -1.4584100000e-01
-ENERGY -1.526585250160e+02
-FORCES -8.6873000000e-03 -4.2636000000e-03  5.8201000000e-03  1.9890000000e-03 -5.4762000000e-03 -4.7050000000e-04 -3.2180000000e-03  1.5706000000e-03 -3.3328000000e-03  1.7601200000e-02  8.2558000000e-03 -2.3537000000e-03  1.3566000000e-03  3.0907000000e-03  2.9000000000e-04 -9.0415000000e-03 -3.1774000000e-03  4.6900000000e-05
-
-JOB 3
-COORDS -7.1871800000e-01 -7.7755100000e-01 -7.1016000000e-01 -7.9547000000e-01 -1.4877200000e+00 -7.2977000000e-02 -1.6088670000e+00 -6.5333600000e-01 -1.0394570000e+00  7.7501600000e-01  7.9601200000e-01  7.6230100000e-01  1.3372580000e+00  1.3932260000e+00  2.6889300000e-01  1.6425800000e-01  4.4910900000e-01  1.1202000000e-01
-ENERGY -1.526598065844e+02
-FORCES  3.0113000000e-03  1.9003000000e-03  7.0812000000e-03 -1.1468000000e-03  4.1868000000e-03 -4.0943000000e-03  4.6714000000e-03 -6.8390000000e-04  2.4610000000e-03 -8.9278000000e-03 -8.8069000000e-03 -1.1445200000e-02 -2.8712000000e-03 -2.1897000000e-03 -1.8860000000e-04  5.2632000000e-03  5.5934000000e-03  6.1859000000e-03
-
-JOB 4
-COORDS  1.6819100000e-01 -6.2220500000e-01  1.1005050000e+00  7.8649200000e-01 -1.3389040000e+00  9.5810200000e-01  5.8998800000e-01 -6.8322000000e-02  1.7574160000e+00 -2.5344700000e-01  6.1059300000e-01 -1.2006450000e+00 -1.0593300000e-01  2.9136000000e-02 -4.5473600000e-01 -6.0158000000e-02  1.4857780000e+00 -8.6460600000e-01
-ENERGY -1.526573125335e+02
-FORCES  1.8377000000e-03  5.9148000000e-03 -5.4565000000e-03 -3.4471000000e-03  5.4152000000e-03 -6.8240000000e-04 -1.5779000000e-03 -3.2500000000e-03 -3.6761000000e-03  2.7580000000e-03 -6.5536000000e-03  1.9111100000e-02  5.6880000000e-04  3.6560000000e-04 -8.8615000000e-03 -1.3960000000e-04 -1.8920000000e-03 -4.3460000000e-04
-
-JOB 5
-COORDS  1.2758640000e+00 -5.7987000000e-02  1.1961000000e-01  1.6193070000e+00 -3.9159600000e-01  9.4845400000e-01  1.4170170000e+00  8.8767900000e-01  1.6459900000e-01 -1.3610400000e+00  6.6410000000e-02 -1.6591800000e-01 -4.2419600000e-01  2.4166000000e-01 -7.7359000000e-02 -1.4121690000e+00 -8.6696700000e-01 -3.7189300000e-01
-ENERGY -1.526561798802e+02
-FORCES -6.4324000000e-03 -1.6430000000e-04  3.5584000000e-03 -1.2042000000e-03  2.1986000000e-03 -4.7015000000e-03 -6.0773000000e-03 -6.1377000000e-03  2.1300000000e-05  1.9328100000e-02 -6.0250000000e-03  9.5060000000e-04 -4.3668000000e-03  8.3107000000e-03 -7.5040000000e-04 -1.2474000000e-03  1.8176000000e-03  9.2170000000e-04
-
-JOB 6
-COORDS  9.5011700000e-01 -9.6025100000e-01  2.6829100000e-01  2.2163300000e-01 -3.3950100000e-01  2.5372500000e-01  1.5409610000e+00 -6.5306000000e-01 -4.1929200000e-01 -9.2772800000e-01  8.9151700000e-01 -1.6493000000e-01 -5.5151500000e-01  1.5890940000e+00 -7.0166300000e-01 -1.5475400000e+00  4.4983400000e-01 -7.4543100000e-01
-ENERGY -1.526582212469e+02
-FORCES -1.1439600000e-02  1.4582900000e-02 -3.8713000000e-03  4.8819000000e-03 -8.0412000000e-03  7.0290000000e-04 -1.7857000000e-03 -2.1900000000e-04  1.3065000000e-03  5.2230000000e-03 -3.7286000000e-03 -2.9801000000e-03 -1.7789000000e-03 -4.7016000000e-03  1.8971000000e-03  4.8993000000e-03  2.1075000000e-03  2.9448000000e-03
-
-JOB 7
-COORDS  4.4256000000e-01 -1.1248160000e+00 -5.2119000000e-01 -4.7560600000e-01 -1.3856350000e+00 -4.4925000000e-01  8.7361400000e-01 -1.5583630000e+00  2.1533000000e-01 -4.0501200000e-01  1.1831930000e+00  5.3795000000e-01 -1.1143700000e-01  4.0332600000e-01  6.6937000000e-02 -8.6611400000e-01  1.7021800000e+00 -1.2104100000e-01
-ENERGY -1.526580973536e+02
-FORCES -1.6203000000e-03  1.3062000000e-03  6.2520000000e-03  5.2240000000e-03  6.7895000000e-03  8.2020000000e-04 -3.3299000000e-03  2.6940000000e-03 -4.0208000000e-03  7.6454000000e-03 -1.2148800000e-02 -8.9567000000e-03 -9.1669000000e-03  5.0344000000e-03  4.9700000000e-03  1.2476000000e-03 -3.6754000000e-03  9.3530000000e-04
-
-JOB 8
-COORDS -5.5170900000e-01  1.1330320000e+00 -5.8668000000e-02 -1.4226840000e+00  1.2455890000e+00 -4.3941200000e-01 -2.9917800000e-01  2.0111520000e+00  2.2657800000e-01  6.4769700000e-01 -1.1976960000e+00  8.0760000000e-02  1.9255200000e-01 -3.8106700000e-01 -1.2464900000e-01 -1.9573000000e-02 -1.8764280000e+00 -2.0759000000e-02
-ENERGY -1.526577991703e+02
-FORCES  5.5401000000e-03 -6.6686000000e-03  1.6826000000e-03  4.5220000000e-03 -4.4990000000e-04  2.3128000000e-03 -3.6340000000e-03 -3.2707000000e-03 -2.0992000000e-03 -8.5645000000e-03  1.4541900000e-02 -2.8230000000e-04  1.5806000000e-03 -7.4653000000e-03 -1.3715000000e-03  5.5580000000e-04  3.3125000000e-03 -2.4240000000e-04
-
-JOB 9
-COORDS  4.1645400000e-01 -1.0780900000e+00  5.7957600000e-01 -2.2177900000e-01 -1.7808090000e+00  4.5678800000e-01  4.4153300000e-01 -9.3940400000e-01  1.5263440000e+00 -4.1735400000e-01  1.1342630000e+00 -6.8008600000e-01 -1.2963000000e-02  1.6574690000e+00  1.1980000000e-02 -1.9189800000e-01  2.3031500000e-01 -4.6036200000e-01
-ENERGY -1.526573499414e+02
-FORCES -4.2219000000e-03  6.1977000000e-03  1.3380000000e-03  2.7024000000e-03  5.6352000000e-03 -1.2800000000e-04 -2.0750000000e-04 -1.1400000000e-03 -4.7514000000e-03  8.3592000000e-03 -1.3405700000e-02  1.0802300000e-02 -1.4359000000e-03 -3.4830000000e-04 -1.1898000000e-03 -5.1963000000e-03  3.0611000000e-03 -6.0711000000e-03
-
-JOB 10
-COORDS  9.5425000000e-02 -6.4076100000e-01 -1.2417490000e+00  1.3725200000e-01 -4.2340600000e-01 -3.1049200000e-01 -1.5817700000e-01  1.7786200000e-01 -1.6680980000e+00 -8.9348000000e-02  5.4249500000e-01  1.1645510000e+00 -2.4752000000e-02  3.3486200000e-01  2.0967250000e+00 -4.2531000000e-02  1.4978370000e+00  1.1276700000e+00
-ENERGY -1.526584383428e+02
-FORCES -2.2613000000e-03  8.7149000000e-03  1.3464300000e-02  1.1359000000e-03 -3.9786000000e-03 -5.9213000000e-03  9.4960000000e-04 -1.4699000000e-03  8.2750000000e-04  1.0254000000e-03 -8.6080000000e-04 -4.8291000000e-03 -2.7310000000e-04  2.2832000000e-03 -4.5227000000e-03 -5.7650000000e-04 -4.6888000000e-03  9.8130000000e-04
-
-JOB 11
-COORDS  6.0157600000e-01  5.6264300000e-01  1.1321960000e+00  5.2537000000e-02  3.7670900000e-01  3.7047600000e-01  1.4599860000e+00  7.7186300000e-01  7.6396800000e-01 -6.2931200000e-01 -5.0558600000e-01 -1.0543370000e+00 -8.3910500000e-01 -1.2565020000e+00 -4.9904900000e-01 -2.2402000000e-01 -8.8831700000e-01 -1.8324680000e+00
-ENERGY -1.526589741000e+02
-FORCES -3.1629000000e-03 -3.0023000000e-03 -1.4642700000e-02  1.2890000000e-04 -4.7960000000e-04  9.1513000000e-03 -1.9455000000e-03 -7.1790000000e-04  1.1388000000e-03  5.1539000000e-03 -2.1659000000e-03  2.7377000000e-03  2.1188000000e-03  5.7269000000e-03 -2.3428000000e-03 -2.2932000000e-03  6.3880000000e-04  3.9577000000e-03
-
-JOB 12
-COORDS -1.8454900000e-01  2.8673100000e-01  1.2620220000e+00  6.6684300000e-01  5.1560500000e-01  1.6348240000e+00 -8.1518700000e-01  5.1843300000e-01  1.9438150000e+00  1.2157100000e-01 -3.4589900000e-01 -1.3638960000e+00  3.1929000000e-02 -5.5972000000e-02 -4.5607600000e-01  1.0144970000e+00 -1.0123200000e-01 -1.6069050000e+00
-ENERGY -1.526589127522e+02
-FORCES -1.3711000000e-03 -3.1790000000e-04 -2.8565000000e-03 -4.4093000000e-03 -8.1360000000e-04 -2.7977000000e-03  4.7729000000e-03 -7.9850000000e-04 -1.4932000000e-03 -1.3351000000e-03  3.6628000000e-03  1.2308900000e-02  4.6401000000e-03 -1.4119000000e-03 -7.7310000000e-03 -2.2975000000e-03 -3.2100000000e-04  2.5694000000e-03
-
-JOB 13
-COORDS  5.4031000000e-02  2.0194400000e-01 -1.3174030000e+00 -8.0810000000e-02  1.1396730000e+00 -1.4542060000e+00  7.2031100000e-01 -4.1004000000e-02 -1.9602700000e+00 -4.1476000000e-02 -2.5307600000e-01  1.4069070000e+00 -9.8850100000e-01 -1.1487400000e-01  1.4235220000e+00  2.0320100000e-01 -1.2837300000e-01  4.8994800000e-01
-ENERGY -1.526604456561e+02
-FORCES  1.2877000000e-03  1.5572000000e-03  4.8360000000e-04  9.0830000000e-04 -5.2627000000e-03  9.1760000000e-04 -3.3491000000e-03  2.2216000000e-03  3.3233000000e-03 -2.2398000000e-03  1.1033000000e-03 -1.4369100000e-02  2.4121000000e-03  4.5760000000e-04  4.9640000000e-04  9.8080000000e-04 -7.7100000000e-05  9.1482000000e-03
-
-JOB 14
-COORDS  6.5752100000e-01 -1.1416350000e+00  2.9030300000e-01  1.6948000000e-01 -1.7690360000e+00 -2.4300500000e-01  6.1855400000e-01 -1.4992020000e+00  1.1773540000e+00 -6.8026200000e-01  1.2060980000e+00 -3.5150500000e-01 -2.7781000000e-01  1.8715670000e+00  2.0653900000e-01 -1.4902300000e-01  4.2224700000e-01 -2.1152500000e-01
-ENERGY -1.526606574995e+02
-FORCES -4.2254000000e-03 -4.3950000000e-04  2.3552000000e-03  1.9652000000e-03  4.5791000000e-03  3.1982000000e-03  3.9870000000e-04  7.2120000000e-04 -4.7111000000e-03  8.8804000000e-03 -9.3056000000e-03  5.2093000000e-03 -1.1167000000e-03 -2.1664000000e-03 -9.7200000000e-04 -5.9022000000e-03  6.6111000000e-03 -5.0796000000e-03
-
-JOB 15
-COORDS  3.1614000000e-02  1.3720620000e+00  3.4950000000e-03  4.6844000000e-01  1.2615470000e+00  8.4800800000e-01 -8.0959200000e-01  1.7746070000e+00  2.1927800000e-01  7.3630000000e-03 -1.4149830000e+00  9.7000000000e-04 -1.3120000000e-03 -4.9239800000e-01 -2.5396800000e-01 -2.5715000000e-01 -1.8849830000e+00 -7.8983000000e-01
-ENERGY -1.526614256990e+02
-FORCES -2.0684000000e-03 -2.8160000000e-04  5.4481000000e-03 -3.1893000000e-03 -5.9770000000e-04 -5.4352000000e-03  4.3369000000e-03 -1.9565000000e-03 -7.4400000000e-04 -6.8450000000e-04  1.0722500000e-02 -3.6228000000e-03  1.3407000000e-03 -1.0786000000e-02  2.3734000000e-03  2.6460000000e-04  2.8993000000e-03  1.9806000000e-03
-
-JOB 16
-COORDS  8.5432800000e-01  9.0880000000e-03  1.0305700000e+00  5.4004400000e-01  3.7590400000e-01  1.8569500000e+00  1.3109570000e+00 -7.9355600000e-01  1.2825340000e+00 -8.6399300000e-01 -3.3511000000e-02 -1.1412640000e+00 -1.7698300000e-01  7.5088000000e-02 -4.8365100000e-01 -1.4967020000e+00  6.5703300000e-01 -9.4362800000e-01
-ENERGY -1.526603218234e+02
-FORCES -3.4126000000e-03 -2.8350000000e-03  1.8450000000e-04  1.8301000000e-03 -2.1904000000e-03 -3.6037000000e-03 -2.1831000000e-03  4.4269000000e-03  8.4000000000e-05  7.0981000000e-03  2.1334000000e-03  1.1035000000e-02 -5.3160000000e-03  3.0600000000e-04 -8.0578000000e-03  1.9836000000e-03 -1.8410000000e-03  3.5810000000e-04
-
-JOB 17
-COORDS  8.3233900000e-01  1.0047520000e+00  3.8696200000e-01  4.3671700000e-01  1.2368400000e+00  1.2271110000e+00  8.4514600000e-01  1.8246040000e+00 -1.0691100000e-01 -7.9554800000e-01 -1.1298320000e+00 -4.1400200000e-01 -3.9220000000e-01 -4.8922500000e-01  1.7180000000e-01 -1.4645610000e+00 -6.3479100000e-01 -8.8685200000e-01
-ENERGY -1.526561372164e+02
-FORCES -9.3580000000e-04  2.9388000000e-03 -3.0944000000e-03 -7.4290000000e-04 -4.3313000000e-03 -6.1340000000e-03 -2.0150000000e-04 -3.4712000000e-03  3.3396000000e-03  6.2932000000e-03  1.1658900000e-02  9.2600000000e-04 -6.2079000000e-03 -5.3480000000e-03  3.6578000000e-03  1.7949000000e-03 -1.4473000000e-03  1.3051000000e-03
-
-JOB 18
-COORDS  9.3153000000e-02  1.1594110000e+00 -6.5793200000e-01  4.6798000000e-01  1.1290960000e+00 -1.5381700000e+00  3.0150000000e-02  2.0929320000e+00 -4.5594000000e-01 -6.6297000000e-02 -1.2504200000e+00  6.7248700000e-01 -3.2482000000e-01 -3.9296700000e-01  3.3459300000e-01 -6.2176500000e-01 -1.3830880000e+00  1.4406570000e+00
-ENERGY -1.526601144171e+02
-FORCES  2.4132000000e-03 -1.4862000000e-03 -7.5630000000e-04 -1.8447000000e-03  2.1106000000e-03  3.9788000000e-03  5.7540000000e-04 -4.0608000000e-03 -1.6716000000e-03 -6.8300000000e-04  9.5010000000e-03 -3.5735000000e-03 -2.0137000000e-03 -8.2486000000e-03  4.6157000000e-03  1.5529000000e-03  2.1840000000e-03 -2.5931000000e-03
-
-JOB 19
-COORDS  1.2707030000e+00 -6.1902000000e-01  2.3114200000e-01  4.0430500000e-01 -3.3989000000e-01 -6.4954000000e-02  1.7457980000e+00 -8.2208600000e-01 -5.7463700000e-01 -1.2530510000e+00  5.5254000000e-01 -1.3905600000e-01 -1.0037380000e+00  1.3602460000e+00  3.1003800000e-01 -1.4243010000e+00  8.2262600000e-01 -1.0412530000e+00
-ENERGY -1.526606415830e+02
-FORCES -1.0667600000e-02  2.9140000000e-03 -3.5841000000e-03  1.1261000000e-02 -2.6633000000e-03  4.7430000000e-04 -2.8863000000e-03  1.4369000000e-03  1.7526000000e-03  5.8270000000e-04  4.8632000000e-03  3.1270000000e-04 -9.2850000000e-04 -4.7359000000e-03 -3.5019000000e-03  2.6385000000e-03 -1.8148000000e-03  4.5465000000e-03
-
-JOB 20
-COORDS -7.1550900000e-01  7.4120100000e-01  1.0096040000e+00 -1.4329890000e+00  1.1806500000e+00  5.5316300000e-01 -2.4192300000e-01  2.7566300000e-01  3.2024000000e-01  6.7195300000e-01 -7.1104100000e-01 -9.2129100000e-01  8.6966800000e-01 -1.6380420000e+00 -1.0547430000e+00  1.4814700000e+00 -2.5691400000e-01 -1.1551360000e+00
-ENERGY -1.526613260366e+02
-FORCES  3.5313000000e-03 -6.4283000000e-03 -9.4261000000e-03  2.4389000000e-03 -1.4462000000e-03  7.3470000000e-04 -3.2570000000e-03  7.4858000000e-03  5.7414000000e-03  9.2370000000e-04 -1.7462000000e-03  2.2930000000e-03  6.9260000000e-04  4.7896000000e-03 -7.7350000000e-04 -4.3295000000e-03 -2.6546000000e-03  1.4305000000e-03
-
-JOB 21
-COORDS -4.3418100000e-01  3.6303000000e-02 -1.2775980000e+00 -9.2876500000e-01  7.4412400000e-01 -1.6906450000e+00 -6.8450700000e-01 -7.4804900000e-01 -1.7658200000e+00  4.5915100000e-01  3.1146000000e-02  1.3696780000e+00  6.4404400000e-01 -8.5487700000e-01  1.6811420000e+00  5.4607900000e-01 -2.5941000000e-02  4.1814500000e-01
-ENERGY -1.526587082250e+02
-FORCES -3.2372000000e-03  1.0776000000e-03  1.5671000000e-03  1.7050000000e-03 -4.1934000000e-03  5.3880000000e-04  9.9730000000e-04  3.6770000000e-03  2.2031000000e-03 -3.0114000000e-03 -2.1136000000e-03 -1.0008000000e-02 -9.6360000000e-04  2.3698000000e-03 -1.9509000000e-03  4.5099000000e-03 -8.1740000000e-04  7.6499000000e-03
-
-JOB 22
-COORDS  1.2844830000e+00 -4.8287800000e-01 -3.9280000000e-02  1.7277040000e+00  2.6458500000e-01 -4.4063400000e-01  1.4803840000e+00 -1.2181720000e+00 -6.1996800000e-01 -1.3213530000e+00  5.5058000000e-01  9.6130000000e-02 -2.0901720000e+00  2.2224000000e-02  3.1058300000e-01 -6.2053700000e-01 -8.7935000000e-02 -3.5731000000e-02
-ENERGY -1.526604120323e+02
-FORCES  3.0105000000e-03  3.5625000000e-03 -2.6503000000e-03 -1.7724000000e-03 -4.9147000000e-03  1.4415000000e-03 -2.7312000000e-03  3.9676000000e-03  2.6722000000e-03  8.3974000000e-03 -5.6478000000e-03  9.4410000000e-04  3.7381000000e-03  3.3530000000e-04 -9.6350000000e-04 -1.0642300000e-02  2.6971000000e-03 -1.4440000000e-03
-
-JOB 23
-COORDS  6.7882100000e-01 -4.5673000000e-02 -1.2046130000e+00  2.8967800000e-01 -2.3416300000e-01 -2.0585870000e+00  8.2281600000e-01  9.0061800000e-01 -1.2100990000e+00 -6.8184900000e-01 -4.4712000000e-02  1.3067430000e+00 -9.7445100000e-01  8.6205100000e-01  1.2151060000e+00 -9.6109000000e-02 -1.8423400000e-01  5.6265100000e-01
-ENERGY -1.526592339786e+02
-FORCES -3.0362000000e-03  1.4451000000e-03 -3.0787000000e-03  2.5868000000e-03  2.2497000000e-03  3.4912000000e-03 -2.4174000000e-03 -4.8873000000e-03  1.6040000000e-03  4.1855000000e-03  9.8960000000e-04 -1.0852800000e-02  1.3489000000e-03 -2.1696000000e-03 -8.5300000000e-05 -2.6676000000e-03  2.3725000000e-03  8.9217000000e-03
-
-JOB 24
-COORDS -4.4920000000e-01  2.1091500000e-01  1.3977750000e+00 -5.3194200000e-01  2.4475400000e-01  4.4475900000e-01  4.5173500000e-01 -7.4093000000e-02  1.5504770000e+00  3.9478100000e-01 -1.5248200000e-01 -1.2867660000e+00  7.3046100000e-01 -1.0448240000e+00 -1.3720670000e+00  1.2717000000e-01  8.9042000000e-02 -2.1734920000e+00
-ENERGY -1.526597275183e+02
-FORCES  6.2479000000e-03 -9.6890000000e-04 -1.1104500000e-02 -4.0274000000e-03  1.0955000000e-03  6.8387000000e-03 -2.4342000000e-03 -2.9200000000e-04  1.0964000000e-03  2.9550000000e-04 -2.7331000000e-03 -1.3774000000e-03 -1.2297000000e-03  4.7138000000e-03  1.6740000000e-04  1.1479000000e-03 -1.8153000000e-03  4.3795000000e-03
-
-JOB 25
-COORDS -4.3802100000e-01 -7.4835500000e-01  1.0401150000e+00 -3.2814600000e-01 -1.6967410000e+00  1.1088430000e+00 -8.5224700000e-01 -4.9436200000e-01  1.8648190000e+00  4.3417800000e-01  8.4364800000e-01 -1.1056780000e+00  1.3174700000e-01  2.4706400000e-01 -4.2094800000e-01  1.1439140000e+00  3.7046100000e-01 -1.5399600000e+00
-ENERGY -1.526608523686e+02
-FORCES -4.1380000000e-04  1.0542000000e-03  8.4530000000e-04 -5.1590000000e-04  4.5925000000e-03  4.0270000000e-04  1.8395000000e-03 -3.1958000000e-03 -3.1737000000e-03 -1.8013000000e-03 -7.4120000000e-03  8.1221000000e-03  3.2075000000e-03  4.4671000000e-03 -7.8987000000e-03 -2.3159000000e-03  4.9400000000e-04  1.7023000000e-03
-
-JOB 26
-COORDS  7.8235600000e-01 -3.4493300000e-01 -1.1358070000e+00  1.4887030000e+00 -8.7948100000e-01 -7.7308700000e-01  1.1320620000e+00  5.4609800000e-01 -1.1369940000e+00 -8.4556700000e-01  3.8712300000e-01  1.1117620000e+00 -6.8932600000e-01 -2.4731200000e-01  4.1225400000e-01 -9.4873500000e-01 -1.4561300000e-01  1.9002920000e+00
-ENERGY -1.526594048419e+02
-FORCES  4.6603000000e-03  5.0209000000e-03  3.4190000000e-03 -3.8738000000e-03  2.0202000000e-03 -9.1820000000e-04 -5.9030000000e-04 -4.8362000000e-03 -1.2200000000e-03  2.8790000000e-03 -5.0313000000e-03 -5.7234000000e-03 -4.6400000000e-03  1.8331000000e-03  8.0197000000e-03  1.5649000000e-03  9.9320000000e-04 -3.5770000000e-03
-
-JOB 27
-COORDS  1.0064120000e+00  2.0431000000e-02 -9.7035000000e-01  1.7808070000e+00 -1.5966000000e-02 -4.0890700000e-01  1.2422760000e+00 -4.9964500000e-01 -1.7385430000e+00 -1.1229780000e+00  4.3976000000e-02  9.9392200000e-01 -7.2243000000e-01 -5.7845500000e-01  1.6008590000e+00 -5.0641100000e-01  9.7796000000e-02  2.6373000000e-01
-ENERGY -1.526605312442e+02
-FORCES  2.5714000000e-03 -2.3022000000e-03 -1.4111000000e-03 -4.5645000000e-03 -8.3920000000e-04 -2.3825000000e-03  4.5960000000e-04  2.5144000000e-03  4.0448000000e-03  7.7733000000e-03 -2.3993000000e-03 -6.5430000000e-03 -5.9160000000e-04  2.0649000000e-03 -1.5729000000e-03 -5.6482000000e-03  9.6150000000e-04  7.8647000000e-03
-
-JOB 28
-COORDS  2.3932100000e-01 -4.9089700000e-01  1.3939300000e+00  5.6954000000e-02  2.9088500000e-01  1.9152650000e+00  3.6041900000e-01 -1.6240100000e-01  5.0305600000e-01 -2.4004000000e-01  4.7499100000e-01 -1.3309500000e+00  5.3829200000e-01  1.4742000000e-02 -1.6449590000e+00 -9.7271800000e-01  1.3080000000e-02 -1.7384460000e+00
-ENERGY -1.526588874070e+02
-FORCES -3.3182000000e-03  7.3371000000e-03 -7.4336000000e-03  6.0580000000e-04 -2.7039000000e-03 -1.1369000000e-03  5.8638000000e-03 -4.7854000000e-03  5.4200000000e-03 -3.3500000000e-03 -4.0204000000e-03 -3.4567000000e-03 -3.9146000000e-03  1.6358000000e-03  5.7717000000e-03  4.1133000000e-03  2.5367000000e-03  8.3540000000e-04
-
-JOB 29
-COORDS  3.3622200000e-01  5.2363100000e-01 -1.3598420000e+00  1.1674300000e-01  1.0814500000e-01 -5.2591600000e-01 -4.3057100000e-01  3.7240100000e-01 -1.9124630000e+00 -2.3609700000e-01 -4.9025900000e-01  1.2911170000e+00 -9.7001200000e-01 -1.0614130000e+00  1.5177980000e+00 -1.9530300000e-01  1.4369000000e-01  2.0071310000e+00
-ENERGY -1.526614262034e+02
-FORCES -4.0870000000e-03 -4.3795000000e-03  8.0232000000e-03  1.8450000000e-03  3.5989000000e-03 -9.7339000000e-03  1.9532000000e-03  5.0200000000e-05  2.1656000000e-03 -1.8527000000e-03  1.3427000000e-03  3.1326000000e-03  3.1915000000e-03  3.3190000000e-03 -7.8330000000e-04 -1.0499000000e-03 -3.9313000000e-03 -2.8041000000e-03
-
-JOB 30
-COORDS -8.6684000000e-01 -9.3433000000e-01 -5.6040800000e-01 -6.3011500000e-01 -1.8281960000e+00 -8.0779000000e-01 -1.7555070000e+00 -8.1952300000e-01 -8.9704100000e-01  9.5794000000e-01  1.0074030000e+00  5.5521300000e-01  2.4079800000e-01  4.4803700000e-01  2.5680200000e-01  8.3348900000e-01  1.0725080000e+00  1.5020530000e+00
-ENERGY -1.526615631203e+02
-FORCES  5.7400000000e-05 -2.5198000000e-03 -2.1810000000e-03 -2.9130000000e-03  3.6557000000e-03  5.7780000000e-04  4.1226000000e-03 -1.4611000000e-03  1.5085000000e-03 -6.5848000000e-03 -6.3925000000e-03 -1.2107000000e-03  5.3730000000e-03  7.2791000000e-03  4.2913000000e-03 -5.5200000000e-05 -5.6150000000e-04 -2.9859000000e-03
-
-JOB 31
-COORDS  9.8521400000e-01  9.4521000000e-01 -5.9339400000e-01  5.3069500000e-01  1.5305200000e-01 -3.0681200000e-01  1.8933350000e+00  6.6925300000e-01 -7.1747500000e-01 -9.7858700000e-01 -8.4712500000e-01  5.4920900000e-01 -1.3783740000e+00 -6.8019300000e-01  1.4027520000e+00 -1.1909190000e+00 -1.7609630000e+00  3.5934700000e-01
-ENERGY -1.526607693045e+02
-FORCES -3.7477000000e-03 -6.4545000000e-03  3.1976000000e-03  7.7021000000e-03  5.0783000000e-03 -4.6167000000e-03 -3.4498000000e-03 -1.1480000000e-04  7.1070000000e-04 -2.7574000000e-03 -3.1740000000e-04  3.2667000000e-03  9.5950000000e-04 -2.4413000000e-03 -3.9284000000e-03  1.2934000000e-03  4.2497000000e-03  1.3702000000e-03
-
-JOB 32
-COORDS -5.3342000000e-01 -1.4239070000e+00 -2.2375000000e-02 -1.7417700000e-01 -1.6027540000e+00  8.4664200000e-01 -4.2869900000e-01 -4.7921200000e-01 -1.3558400000e-01  4.5005000000e-01  1.3784060000e+00  2.3397000000e-02  1.3435570000e+00  1.1444300000e+00  2.7466000000e-01  5.2067700000e-01  1.6458420000e+00 -8.9296600000e-01
-ENERGY -1.526602689916e+02
-FORCES  2.7112000000e-03  9.8001000000e-03  3.7957000000e-03 -3.3570000000e-04  2.5000000000e-06 -2.7789000000e-03 -2.3018000000e-03 -9.1456000000e-03 -2.3793000000e-03  5.6674000000e-03  1.5546000000e-03 -2.2463000000e-03 -4.9758000000e-03  4.8420000000e-04 -1.1316000000e-03 -7.6530000000e-04 -2.6959000000e-03  4.7404000000e-03
-
-JOB 33
-COORDS -1.9604200000e-01 -1.3223520000e+00  5.0375000000e-01  7.4907000000e-01 -1.3395840000e+00  6.5441000000e-01 -5.6310600000e-01 -1.8365350000e+00  1.2228550000e+00  2.1471500000e-01  1.3555860000e+00 -5.9649100000e-01 -3.0522000000e-01  2.1029630000e+00 -3.0097800000e-01 -1.8884500000e-01  5.9916400000e-01 -1.7081800000e-01
-ENERGY -1.526612655709e+02
-FORCES  2.6554000000e-03 -3.1498000000e-03  3.1981000000e-03 -5.7211000000e-03  4.9840000000e-04 -1.3810000000e-04  2.5395000000e-03  1.9364000000e-03 -3.0309000000e-03 -4.8882000000e-03 -5.0426000000e-03  3.6645000000e-03  1.3089000000e-03 -2.9627000000e-03 -5.0450000000e-04  4.1055000000e-03  8.7202000000e-03 -3.1892000000e-03
-
-JOB 34
-COORDS  7.7491100000e-01 -6.3715000000e-02  1.2893890000e+00  3.7295100000e-01  1.0902500000e-01  4.3802400000e-01  1.2637110000e+00  7.3435700000e-01  1.4903560000e+00 -7.1168900000e-01  1.5465000000e-02 -1.2403060000e+00 -1.2702100000e+00 -7.6122600000e-01 -1.2725010000e+00 -1.3013780000e+00  7.4341700000e-01 -1.4367360000e+00
-ENERGY -1.526617287814e+02
-FORCES -2.8365000000e-03  2.5415000000e-03 -8.1544000000e-03  5.3398000000e-03  1.0690000000e-04  9.6532000000e-03 -2.1539000000e-03 -2.0159000000e-03 -1.3284000000e-03 -5.2156000000e-03 -1.5193000000e-03 -8.7300000000e-04  2.1194000000e-03  4.5066000000e-03 -3.7480000000e-04  2.7468000000e-03 -3.6197000000e-03  1.0774000000e-03
-
-JOB 35
-COORDS -2.0321200000e-01  1.4056610000e+00 -2.1482500000e-01  2.7078700000e-01  1.4514990000e+00 -1.0451600000e+00 -9.5814100000e-01  1.9812490000e+00 -3.3734900000e-01  2.4775200000e-01 -1.4529630000e+00  3.3374700000e-01  2.5619100000e-01 -2.0868790000e+00 -3.8340700000e-01 -2.1979100000e-01 -6.9641100000e-01 -2.0180000000e-02
-ENERGY -1.526589971652e+02
-FORCES  6.9650000000e-04  5.1660000000e-03 -2.5306000000e-03 -3.7023000000e-03 -1.6484000000e-03  3.7666000000e-03  3.8550000000e-03 -3.1222000000e-03  1.3030000000e-04 -2.9127000000e-03  5.9506000000e-03 -2.4713000000e-03  7.1000000000e-06  3.4946000000e-03  1.7824000000e-03  2.0564000000e-03 -9.8407000000e-03 -6.7740000000e-04
-
-JOB 36
-COORDS -2.8386200000e-01  5.1224000000e-01  1.3087670000e+00 -5.5182200000e-01  1.1896000000e-01  2.1392850000e+00  3.0587000000e-01  1.2233880000e+00  1.5592000000e+00  2.7421400000e-01 -4.7899600000e-01 -1.4134340000e+00  4.2160900000e-01 -1.4145270000e+00 -1.5523160000e+00  4.7920000000e-03 -4.1188700000e-01 -4.9738800000e-01
-ENERGY -1.526611381425e+02
-FORCES  1.9551000000e-03  2.8858000000e-03  3.6007000000e-03  1.7410000000e-03  1.9402000000e-03 -3.6352000000e-03 -3.2682000000e-03 -3.5179000000e-03  3.6970000000e-04 -1.7136000000e-03 -1.6340000000e-04  7.6452000000e-03 -7.1400000000e-04  2.9588000000e-03  1.3646000000e-03  1.9997000000e-03 -4.1035000000e-03 -9.3451000000e-03
-
-JOB 37
-COORDS -1.2872500000e-01 -1.3908800000e+00  6.8965300000e-01  5.2047300000e-01 -7.2203100000e-01  4.7190300000e-01 -9.4855300000e-01 -1.0572220000e+00  3.2525500000e-01  7.7144000000e-02  1.2948770000e+00 -6.7232700000e-01  9.2578600000e-01  1.3151370000e+00 -1.1146250000e+00  1.5890600000e-01  1.9364580000e+00  3.3308000000e-02
-ENERGY -1.526580609181e+02
-FORCES -1.6461000000e-03  9.5822000000e-03 -6.0785000000e-03  2.1904000000e-03 -4.5876000000e-03  3.0800000000e-03  7.3090000000e-04 -3.7126000000e-03  2.7167000000e-03  2.3356000000e-03  4.2543000000e-03 -2.9490000000e-04 -3.7114000000e-03 -1.4028000000e-03  3.6887000000e-03  1.0060000000e-04 -4.1335000000e-03 -3.1121000000e-03
-
-JOB 38
-COORDS -6.6371900000e-01  6.0519600000e-01 -1.1506440000e+00 -1.6140070000e+00  4.9068000000e-01 -1.1421970000e+00 -5.3659800000e-01  1.5496560000e+00 -1.2404610000e+00  7.3207300000e-01 -6.0990700000e-01  1.2027600000e+00  7.5635900000e-01 -1.5667950000e+00  1.1999670000e+00  2.9898000000e-01 -3.7843500000e-01  3.8112600000e-01
-ENERGY -1.526617272662e+02
-FORCES -3.2181000000e-03  5.0851000000e-03 -4.5960000000e-04  4.6260000000e-03  6.0300000000e-04 -4.4100000000e-05 -1.6758000000e-03 -4.4109000000e-03 -1.3850000000e-04 -3.3137000000e-03  6.4710000000e-04 -7.3857000000e-03 -8.1620000000e-04  3.1570000000e-03 -5.1260000000e-04  4.3977000000e-03 -5.0813000000e-03  8.5405000000e-03
-
-JOB 39
-COORDS  4.5968300000e-01  1.2676500000e+00 -7.7132700000e-01  5.1535700000e-01  3.7676700000e-01 -4.2569800000e-01  3.1070900000e-01  1.8152450000e+00 -4.9800000000e-04 -4.0235000000e-01 -1.2350910000e+00  6.7158400000e-01 -3.9125100000e-01 -1.7917060000e+00  1.4502300000e+00 -1.3080000000e+00 -9.3223100000e-01  6.0597300000e-01
-ENERGY -1.526604015496e+02
-FORCES  5.9200000000e-05 -5.3510000000e-03  6.7184000000e-03  3.6690000000e-04  7.0492000000e-03 -4.6925000000e-03 -1.9030000000e-04 -1.1220000000e-03 -2.7780000000e-03 -3.7901000000e-03 -1.9611000000e-03  2.7657000000e-03 -1.2596000000e-03  2.7445000000e-03 -3.2557000000e-03  4.8139000000e-03 -1.3596000000e-03  1.2421000000e-03
-
-JOB 40
-COORDS  5.0373800000e-01 -9.5532500000e-01 -9.6548300000e-01  5.2485000000e-02 -1.0584180000e+00 -1.8033220000e+00  1.1990700000e+00 -1.6128730000e+00 -9.8489800000e-01 -5.0760000000e-01  1.0688440000e+00  1.0071080000e+00 -9.1951300000e-01  5.8837600000e-01  1.7252380000e+00 -2.4902300000e-01  3.9137700000e-01  3.8228200000e-01
-ENERGY -1.526614549803e+02
-FORCES  2.2922000000e-03 -2.7767000000e-03 -2.9835000000e-03  2.5056000000e-03 -1.6120000000e-04  3.9509000000e-03 -3.6059000000e-03  2.2397000000e-03 -1.2589000000e-03  1.9679000000e-03 -7.4030000000e-03 -3.1700000000e-03  1.3668000000e-03  1.3564000000e-03 -2.2172000000e-03 -4.5267000000e-03  6.7449000000e-03  5.6787000000e-03
-
-JOB 41
-COORDS  6.8209000000e-02 -3.2553000000e-02 -1.5514050000e+00  9.4859600000e-01  1.9543800000e-01 -1.8500200000e+00  1.0761400000e-01  5.5092000000e-02 -5.9904100000e-01 -1.3687200000e-01  4.0595000000e-02  1.4474500000e+00  6.7817000000e-01  2.0690300000e-01  1.9210320000e+00 -6.4630300000e-01 -5.1742900000e-01  2.0350900000e+00
-ENERGY -1.526607207976e+02
-FORCES  1.3893000000e-03  8.6060000000e-04  7.6130000000e-03 -2.5685000000e-03 -6.6820000000e-04  1.8312000000e-03  2.4646000000e-03  5.4390000000e-04 -1.0131700000e-02 -8.4400000000e-04 -2.7509000000e-03  4.7677000000e-03 -3.6276000000e-03 -1.0590000000e-03 -2.8212000000e-03  3.1862000000e-03  3.0735000000e-03 -1.2589000000e-03
-
-JOB 42
-COORDS  3.2318500000e-01 -1.0050950000e+00 -1.2044710000e+00  3.4681800000e-01 -2.5729000000e-01 -6.0742700000e-01 -4.4408000000e-01 -1.5072430000e+00 -9.2991000000e-01 -2.7276800000e-01  9.3363200000e-01  1.1248670000e+00 -1.0774800000e-01  1.1243760000e+00  2.0482400000e+00 -5.5045100000e-01  1.7707040000e+00  7.5279800000e-01
-ENERGY -1.526603313660e+02
-FORCES -3.4935000000e-03  2.8472000000e-03  7.8764000000e-03  1.0903000000e-03 -3.0336000000e-03 -7.6997000000e-03  2.3555000000e-03  6.3930000000e-04 -1.9772000000e-03 -1.6840000000e-04  3.8188000000e-03  4.4819000000e-03 -1.6477000000e-03  1.7530000000e-04 -4.0913000000e-03  1.8637000000e-03 -4.4470000000e-03  1.4099000000e-03
-
-JOB 43
-COORDS  5.5286000000e-02 -2.1110100000e-01  1.6026900000e+00  5.7111100000e-01  3.7725400000e-01  1.0513330000e+00 -4.1857600000e-01 -7.6634300000e-01  9.8350200000e-01 -3.6044000000e-02  1.8927300000e-01 -1.5892660000e+00  3.1300200000e-01  9.4116000000e-01 -1.1106590000e+00 -7.5157700000e-01 -1.3296300000e-01 -1.0411710000e+00
-ENERGY -1.526507962286e+02
-FORCES  2.4926000000e-03 -1.8339000000e-03 -5.9087000000e-03 -3.3623000000e-03  1.9210000000e-04  1.0074000000e-03 -7.1350000000e-04  3.8938000000e-03  7.5210000000e-04 -2.7517000000e-03  3.2848000000e-03  3.4360000000e-03 -1.7790000000e-04 -4.6574000000e-03  3.3210000000e-04  4.5127000000e-03 -8.7950000000e-04  3.8110000000e-04
-
-JOB 44
-COORDS -8.8332900000e-01  1.2920190000e+00 -3.5351400000e-01 -1.5947220000e+00  1.0888330000e+00  2.5383000000e-01 -1.5586500000e-01  7.4145600000e-01 -6.3841000000e-02  8.4956700000e-01 -1.2253110000e+00  3.5427800000e-01  6.3084600000e-01 -2.0284590000e+00 -1.1831700000e-01  1.6367190000e+00 -8.9766100000e-01 -8.0772000000e-02
-ENERGY -1.526593094073e+02
-FORCES  1.5012000000e-03 -7.3669000000e-03  5.1558000000e-03  1.5286000000e-03  1.3665000000e-03 -2.3869000000e-03 -1.4645000000e-03  7.6554000000e-03 -2.9677000000e-03  1.9247000000e-03 -5.1373000000e-03 -4.2190000000e-03  1.8554000000e-03  3.2558000000e-03  2.5015000000e-03 -5.3453000000e-03  2.2660000000e-04  1.9162000000e-03
-
-JOB 45
-COORDS -1.1499090000e+00  2.1728000000e-02  1.1291890000e+00 -4.2015600000e-01  5.7146500000e-01  8.4373800000e-01 -1.7596030000e+00  3.0073000000e-02  3.9133000000e-01  1.1489170000e+00  1.1368000000e-02 -1.0797110000e+00  5.0034600000e-01 -6.2443900000e-01 -1.3819310000e+00  1.7097770000e+00 -4.8340700000e-01 -4.8233000000e-01
-ENERGY -1.526577921333e+02
-FORCES  2.4784000000e-03  4.0278000000e-03 -6.1319000000e-03 -4.2841000000e-03 -2.4532000000e-03  4.4153000000e-03  2.0420000000e-03 -1.2392000000e-03  2.4604000000e-03  1.1910000000e-04 -7.1352000000e-03  7.9750000000e-04  2.1192000000e-03  3.6912000000e-03  8.4940000000e-04 -2.4746000000e-03  3.1086000000e-03 -2.3906000000e-03
-
-JOB 46
-COORDS -6.9620600000e-01 -1.3682590000e+00 -1.0703000000e-01 -1.5900030000e+00 -1.2768650000e+00 -4.3718900000e-01 -6.1906500000e-01 -2.2940420000e+00  1.2363800000e-01  7.4142000000e-01  1.4696630000e+00  7.9318000000e-02  1.1399390000e+00  1.2820580000e+00  9.2915300000e-01  2.9112700000e-01  6.5923200000e-01 -1.5873500000e-01
-ENERGY -1.526602544043e+02
-FORCES -3.0160000000e-03 -5.2270000000e-03  5.1000000000e-06  4.4298000000e-03 -4.3530000000e-04  1.4866000000e-03 -1.4660000000e-03  3.7555000000e-03 -1.0415000000e-03 -1.4003000000e-03 -7.7214000000e-03  2.5117000000e-03 -6.6510000000e-04  1.4537000000e-03 -2.5191000000e-03  2.1176000000e-03  8.1746000000e-03 -4.4270000000e-04
-
-JOB 47
-COORDS -9.4991500000e-01 -9.6495200000e-01  9.6144200000e-01 -1.3915770000e+00 -2.1373500000e-01  1.3574730000e+00 -1.0219870000e+00 -8.1608500000e-01  1.8640000000e-02  9.5318600000e-01  8.8677900000e-01 -9.8210700000e-01  1.3510290000e+00  1.7563610000e+00 -1.0243050000e+00  9.6737700000e-01  6.6125500000e-01 -5.1962000000e-02
-ENERGY -1.526584037305e+02
-FORCES -4.5588000000e-03  2.3310000000e-03 -3.6872000000e-03  3.0249000000e-03 -2.7126000000e-03 -1.2916000000e-03  5.6160000000e-04 -1.1007000000e-03  5.9700000000e-03  3.0685000000e-03  1.9273000000e-03  3.8619000000e-03 -1.7279000000e-03 -3.5320000000e-03  8.4550000000e-04 -3.6830000000e-04  3.0868000000e-03 -5.6986000000e-03
-
-JOB 48
-COORDS  9.9799900000e-01  1.2804770000e+00 -3.4441000000e-01  6.4107500000e-01  4.1145600000e-01 -5.2781900000e-01  1.9462360000e+00  1.1701360000e+00 -4.1443800000e-01 -9.6185800000e-01 -1.2203620000e+00  3.7497600000e-01 -1.7042140000e+00 -8.3867200000e-01  8.4343300000e-01 -1.3566070000e+00 -1.6819610000e+00 -3.6484200000e-01
-ENERGY -1.526587929801e+02
-FORCES  2.9270000000e-04 -6.1090000000e-03  6.4710000000e-04  4.5869000000e-03  6.4542000000e-03 -2.8486000000e-03 -3.4675000000e-03  1.5770000000e-04  1.2580000000e-04 -6.7472000000e-03 -5.5150000000e-04  1.6820000000e-03  2.7360000000e-03 -2.7627000000e-03 -2.3933000000e-03  2.5990000000e-03  2.8113000000e-03  2.7871000000e-03
-
-JOB 49
-COORDS -4.7157600000e-01 -7.8023200000e-01  1.3914890000e+00 -1.8292900000e-01 -1.6253690000e+00  1.0470200000e+00  3.1022600000e-01 -4.0752700000e-01  1.7990530000e+00  4.1722500000e-01  7.8179000000e-01 -1.4606090000e+00  2.9651000000e-01  3.0523700000e-01 -6.3929400000e-01  4.2061000000e-01  1.7041230000e+00 -1.2046370000e+00
-ENERGY -1.526578412756e+02
-FORCES  2.3835000000e-03 -4.9444000000e-03  4.4595000000e-03 -8.3360000000e-04  5.3910000000e-03  7.8720000000e-04 -3.6811000000e-03 -7.3590000000e-04 -4.2593000000e-03 -3.1909000000e-03  9.7670000000e-04  6.0553000000e-03  4.7604000000e-03  2.6145000000e-03 -6.1559000000e-03  5.6170000000e-04 -3.3019000000e-03 -8.8680000000e-04
-
-JOB 50
-COORDS  5.0712000000e-01 -1.0047500000e+00 -1.2212620000e+00  1.2844270000e+00 -4.5899100000e-01 -1.1022110000e+00  7.7937300000e-01 -1.8761690000e+00 -9.3361900000e-01 -5.3342000000e-01  9.8919300000e-01  1.2424800000e+00 -8.1333500000e-01  1.9045490000e+00  1.2408000000e+00 -8.9656400000e-01  6.2570400000e-01  4.3487000000e-01
-ENERGY -1.526582322416e+02
-FORCES  5.7739000000e-03 -2.0260000000e-03  2.3806000000e-03 -3.4188000000e-03 -2.5413000000e-03 -1.5687000000e-03 -8.9490000000e-04  3.4845000000e-03 -1.6300000000e-03 -3.0200000000e-03  2.5190000000e-04 -4.2233000000e-03  1.4172000000e-03 -3.5767000000e-03 -4.2940000000e-04  1.4270000000e-04  4.4075000000e-03  5.4708000000e-03
-
-JOB 51
-COORDS -3.6225200000e-01  5.8081300000e-01  1.4775280000e+00 -3.3914100000e-01  1.1349910000e+00  2.2576460000e+00 -1.9773300000e-01 -3.0305600000e-01  1.8060720000e+00  3.4458300000e-01 -6.1679000000e-01 -1.5873920000e+00 -1.3403700000e-01  2.1151900000e-01 -1.6199370000e+00  9.3263900000e-01 -5.2487100000e-01 -8.3774400000e-01
-ENERGY -1.526570938593e+02
-FORCES -6.9960000000e-04 -1.4867000000e-03  5.8010000000e-03 -1.5200000000e-04 -2.5961000000e-03 -3.4185000000e-03  5.1330000000e-04  4.3124000000e-03 -1.6028000000e-03 -6.2770000000e-04  5.8700000000e-03  4.9492000000e-03  1.9236000000e-03 -3.4331000000e-03 -2.3386000000e-03 -9.5770000000e-04 -2.6665000000e-03 -3.3902000000e-03
-
-JOB 52
-COORDS -3.0012600000e-01  1.6611100000e+00 -4.2978200000e-01  2.1858700000e-01  2.0285430000e+00  2.8587300000e-01 -1.1991430000e+00  1.9258570000e+00 -2.3508100000e-01  3.6769900000e-01 -1.7007300000e+00  4.1537200000e-01  3.8834300000e-01 -1.8832430000e+00 -5.2404000000e-01 -5.4530000000e-01 -1.4774050000e+00  5.9645200000e-01
-ENERGY -1.526546428952e+02
-FORCES  1.4090000000e-04  2.7889000000e-03  4.2869000000e-03 -2.7374000000e-03 -6.4790000000e-04 -3.1628000000e-03  3.4795000000e-03 -2.0807000000e-03 -7.1230000000e-04 -3.8975000000e-03  2.9922000000e-03 -4.6218000000e-03  7.1000000000e-05 -8.0470000000e-04  3.8097000000e-03  2.9436000000e-03 -2.2478000000e-03  4.0020000000e-04
-
-JOB 53
-COORDS  1.1156690000e+00  1.3267440000e+00  6.6567600000e-01  6.3994100000e-01  5.0508400000e-01  5.4406000000e-01  1.1547810000e+00  1.4431670000e+00  1.6149640000e+00 -1.0891460000e+00 -1.2282760000e+00 -7.4799900000e-01 -7.4129400000e-01 -2.0796220000e+00 -1.0134020000e+00 -1.4636120000e+00 -1.3818670000e+00  1.1942100000e-01
-ENERGY -1.526562458147e+02
-FORCES -2.5308000000e-03 -3.4134000000e-03  1.4419000000e-03  3.6611000000e-03  4.6835000000e-03  3.8224000000e-03 -4.6020000000e-04 -8.0540000000e-04 -3.6506000000e-03 -2.3690000000e-03 -6.0007000000e-03  3.2600000000e-05 -1.6184000000e-03  3.9138000000e-03  1.6034000000e-03  3.3173000000e-03  1.6222000000e-03 -3.2497000000e-03
-
-JOB 54
-COORDS -9.6425600000e-01  1.0094400000e-01 -1.6063410000e+00 -4.7176500000e-01  1.3211400000e-01 -7.8615100000e-01 -1.4532910000e+00 -7.2068300000e-01 -1.5615470000e+00  9.0536300000e-01 -7.4692000000e-02  1.5480750000e+00  1.3990660000e+00 -2.1510000000e-02  2.3664030000e+00  1.5146690000e+00  2.3818400000e-01  8.7943000000e-01
-ENERGY -1.526567389574e+02
-FORCES -7.6530000000e-04 -3.6260000000e-03  5.2083000000e-03 -4.1830000000e-04  7.3490000000e-04 -5.9552000000e-03  1.6420000000e-03  3.1713000000e-03 -9.0200000000e-04  5.6740000000e-03  1.5254000000e-03  3.3102000000e-03 -1.6078000000e-03 -2.6360000000e-04 -3.5859000000e-03 -4.5246000000e-03 -1.5420000000e-03  1.9246000000e-03
-
-JOB 55
-COORDS  1.5101030000e+00 -1.1019690000e+00  4.4402000000e-02  1.5887220000e+00 -1.8410070000e+00  6.4762200000e-01  8.5083900000e-01 -5.3482900000e-01  4.4434500000e-01 -1.4845860000e+00  1.1757610000e+00 -1.3585600000e-01 -1.0265970000e+00  9.9554000000e-01  6.8511900000e-01 -1.7936990000e+00  3.1935000000e-01 -4.3122200000e-01
-ENERGY -1.526526131036e+02
-FORCES -1.4147000000e-03 -3.7440000000e-04  3.6182000000e-03 -7.7510000000e-04  3.3910000000e-03 -2.6853000000e-03  1.5361000000e-03 -2.6631000000e-03 -2.1490000000e-04 -1.1039000000e-03 -3.4528000000e-03  1.2665000000e-03  3.2900000000e-05 -8.7740000000e-04 -4.1060000000e-03  1.7247000000e-03  3.9767000000e-03  2.1215000000e-03
-
-JOB 56
-COORDS -1.8240580000e+00  1.9089000000e-02 -4.5980600000e-01 -1.9175790000e+00 -7.4437600000e-01  1.0993700000e-01 -1.2612490000e+00 -2.8145700000e-01 -1.1733530000e+00  1.7348710000e+00  4.1648000000e-02  4.6326400000e-01  2.3438680000e+00 -6.4661900000e-01  1.9560400000e-01  2.2935150000e+00  7.2743900000e-01  8.2910600000e-01
-ENERGY -1.526541779824e+02
-FORCES  4.6426000000e-03 -3.9402000000e-03  4.5450000000e-04 -7.4610000000e-04  2.5762000000e-03 -2.4569000000e-03 -3.6579000000e-03  6.4370000000e-04  1.6247000000e-03  5.0149000000e-03  1.2894000000e-03  1.1619000000e-03 -3.2306000000e-03  2.6119000000e-03  7.6200000000e-04 -2.0230000000e-03 -3.1810000000e-03 -1.5462000000e-03
-
-JOB 57
-COORDS  1.1948890000e+00  1.3714050000e+00 -4.5061200000e-01  1.4781610000e+00  6.2110700000e-01 -9.7314600000e-01  1.9485330000e+00  1.9615340000e+00 -4.4979000000e-01 -1.2270770000e+00 -1.4191720000e+00  4.4454200000e-01 -1.9376810000e+00 -8.1655400000e-01  2.2516600000e-01 -8.8323800000e-01 -1.0922720000e+00  1.2758920000e+00
-ENERGY -1.526559306518e+02
-FORCES  4.1568000000e-03 -1.3629000000e-03 -2.7798000000e-03 -3.0960000000e-04  4.0721000000e-03  2.0138000000e-03 -3.1170000000e-03 -2.4976000000e-03  1.2470000000e-04 -1.1010000000e-03  5.2867000000e-03  2.6304000000e-03  2.2040000000e-03 -3.0981000000e-03  8.8110000000e-04 -1.8332000000e-03 -2.4002000000e-03 -2.8702000000e-03
-
-JOB 58
-COORDS -1.2923320000e+00  1.4275710000e+00  9.7058000000e-02 -1.9276120000e+00  7.8945900000e-01 -2.2769500000e-01 -1.5424040000e+00  1.5720860000e+00  1.0096430000e+00  1.2936800000e+00 -1.4434520000e+00 -1.3367000000e-01  1.3085290000e+00 -5.7846800000e-01  2.7598100000e-01  2.1560260000e+00 -1.5315520000e+00 -5.3966200000e-01
-ENERGY -1.526561770036e+02
-FORCES -4.9341000000e-03 -2.2510000000e-03  1.5717000000e-03  2.2402000000e-03  3.3591000000e-03  1.6624000000e-03  1.5927000000e-03 -7.0990000000e-04 -3.6843000000e-03  2.9781000000e-03  4.3394000000e-03 -2.5980000000e-04  1.4452000000e-03 -5.0181000000e-03 -9.1020000000e-04 -3.3220000000e-03  2.8050000000e-04  1.6201000000e-03
-
-JOB 59
-COORDS  3.1381600000e-01 -1.0392140000e+00 -1.6071320000e+00 -4.4010000000e-02 -1.4000710000e+00 -2.4182880000e+00  5.2717000000e-02 -1.1838200000e-01 -1.6184060000e+00 -2.3084600000e-01  1.0372880000e+00  1.6128340000e+00 -5.4136300000e-01  1.3205760000e+00  2.4728110000e+00 -7.2398600000e-01  2.3725500000e-01  1.4311970000e+00
-ENERGY -1.526557139814e+02
-FORCES -1.4861000000e-03  2.9522000000e-03 -3.9250000000e-03  1.4016000000e-03  1.4732000000e-03  3.4180000000e-03  2.6400000000e-04 -4.9039000000e-03 -3.1570000000e-04 -2.7156000000e-03 -2.8612000000e-03  3.4129000000e-03  1.1866000000e-03 -1.2296000000e-03 -3.4549000000e-03  1.3496000000e-03  4.5693000000e-03  8.6480000000e-04
-
-JOB 60
-COORDS -4.5979200000e-01  1.2628380000e+00  1.4946730000e+00 -3.5464100000e-01  2.2103660000e+00  1.5804930000e+00 -1.8956600000e-01  1.0717610000e+00  5.9650900000e-01  4.1822300000e-01 -1.2691540000e+00 -1.3959080000e+00  1.9347800000e-01 -1.0170630000e+00 -2.2915480000e+00  9.8557100000e-01 -2.0334490000e+00 -1.4969140000e+00
-ENERGY -1.526559911554e+02
-FORCES  1.8981000000e-03  1.5871000000e-03 -4.0554000000e-03 -4.2870000000e-04 -3.6497000000e-03 -4.0810000000e-04 -1.7549000000e-03  3.3109000000e-03  4.7058000000e-03  1.6896000000e-03 -3.9273000000e-03 -4.0851000000e-03  1.0452000000e-03 -5.1400000000e-04  4.0032000000e-03 -2.4492000000e-03  3.1929000000e-03 -1.6040000000e-04
-
-JOB 61
-COORDS -1.5713600000e-01  2.8693800000e-01  2.0460530000e+00  2.3247800000e-01  9.0262600000e-01  1.4252780000e+00 -9.4527000000e-02  7.2828300000e-01  2.8931220000e+00  1.5323900000e-01 -4.0778200000e-01 -2.0870670000e+00  6.5343900000e-01  3.7404000000e-01 -1.8530050000e+00 -7.5239300000e-01 -1.8745200000e-01 -1.8690810000e+00
-ENERGY -1.526533656876e+02
-FORCES  2.3191000000e-03  3.9457000000e-03  1.4915000000e-03 -1.9848000000e-03 -2.1008000000e-03  1.9362000000e-03 -2.7960000000e-04 -1.8756000000e-03 -3.6597000000e-03 -2.1195000000e-03  3.2806000000e-03  1.9463000000e-03 -2.0064000000e-03 -2.8421000000e-03 -3.6250000000e-04  4.0712000000e-03 -4.0790000000e-04 -1.3517000000e-03
-
-JOB 62
-COORDS -2.0897090000e+00  2.2839000000e-02 -2.9082900000e-01 -2.7197350000e+00 -2.8165300000e-01  3.6230400000e-01 -1.3887100000e+00 -6.2862200000e-01 -2.7005600000e-01  2.0258850000e+00  9.1980000000e-03  2.6563500000e-01  2.6504300000e+00 -4.0894100000e-01 -3.2710000000e-01  2.4952040000e+00  7.6794500000e-01  6.1244200000e-01
-ENERGY -1.526552898487e+02
-FORCES  1.7930000000e-03 -3.7148000000e-03  3.0292000000e-03  2.2827000000e-03  1.2446000000e-03 -2.5705000000e-03 -4.6082000000e-03  1.8642000000e-03 -6.4910000000e-04  4.7720000000e-03  2.5065000000e-03 -8.8740000000e-04 -2.7834000000e-03  1.5025000000e-03  2.4659000000e-03 -1.4561000000e-03 -3.4030000000e-03 -1.3881000000e-03
-
-JOB 63
-COORDS  6.9675600000e-01 -1.9872100000e+00 -5.0646600000e-01 -1.4125000000e-02 -2.4352210000e+00 -9.6490400000e-01  5.4013500000e-01 -1.0573890000e+00 -6.7118600000e-01 -7.0643900000e-01  1.9323030000e+00  5.3303700000e-01  1.4615500000e-01  1.6750530000e+00  1.8212800000e-01 -5.2257100000e-01  2.7039920000e+00  1.0686870000e+00
-ENERGY -1.526538252451e+02
-FORCES -4.7299000000e-03  1.7106000000e-03 -2.3183000000e-03  3.2424000000e-03  1.5494000000e-03  1.7187000000e-03  1.9027000000e-03 -2.8616000000e-03  6.1050000000e-04  4.3126000000e-03  3.1118000000e-03  1.9049000000e-03 -3.8559000000e-03 -3.7660000000e-04  4.6270000000e-04 -8.7190000000e-04 -3.1336000000e-03 -2.3785000000e-03
-
-JOB 64
-COORDS  1.3702700000e-01 -1.6276020000e+00  1.6090410000e+00  1.0748000000e-02 -2.2494060000e+00  8.9235000000e-01 -4.8666000000e-01 -9.2412900000e-01  1.4291200000e+00 -1.1700600000e-01  1.6577110000e+00 -1.4993300000e+00  7.7970400000e-01  1.5798980000e+00 -1.8250400000e+00 -6.4799600000e-01  1.1904870000e+00 -2.1442980000e+00
-ENERGY -1.526548839378e+02
-FORCES -3.1030000000e-03  1.2988000000e-03 -3.8468000000e-03  5.8050000000e-04  2.2077000000e-03  2.7654000000e-03  2.2367000000e-03 -3.8487000000e-03  1.2906000000e-03  2.2043000000e-03 -1.4658000000e-03 -4.4013000000e-03 -3.9817000000e-03  2.9630000000e-04  1.1107000000e-03  2.0632000000e-03  1.5118000000e-03  3.0813000000e-03
-
-JOB 65
-COORDS  2.5591000000e-02  1.7147500000e+00  1.4599750000e+00  4.3232600000e-01  2.3955520000e+00  1.9959860000e+00  3.6988000000e-01  1.8648310000e+00  5.7953600000e-01 -5.9399000000e-02 -1.7048700000e+00 -1.4737140000e+00 -8.5994900000e-01 -2.0148670000e+00 -1.0503320000e+00  5.8266300000e-01 -2.3950880000e+00 -1.3076200000e+00
-ENERGY -1.526549340554e+02
-FORCES  3.1149000000e-03  3.0110000000e-03 -2.1236000000e-03 -1.6010000000e-03 -2.7808000000e-03 -2.0887000000e-03 -1.3488000000e-03  2.2750000000e-04  4.2124000000e-03 -9.1320000000e-04 -4.1382000000e-03  3.0789000000e-03  3.2702000000e-03  9.3570000000e-04 -2.1874000000e-03 -2.5221000000e-03  2.7448000000e-03 -8.9170000000e-04
-
-JOB 66
-COORDS  1.4699190000e+00  9.3331200000e-01 -1.4585380000e+00  7.5807400000e-01  4.4853000000e-01 -1.8762640000e+00  2.2660850000e+00  5.8035800000e-01 -1.8557470000e+00 -1.4165410000e+00 -9.3670600000e-01  1.5103910000e+00 -2.2345660000e+00 -9.5302600000e-01  2.0071820000e+00 -1.5283310000e+00 -2.1854800000e-01  8.8750800000e-01
-ENERGY -1.526541477056e+02
-FORCES  1.0946000000e-03 -3.9884000000e-03 -3.1789000000e-03  2.3315000000e-03  2.4075000000e-03  1.9416000000e-03 -3.2580000000e-03  1.6406000000e-03  1.3793000000e-03 -3.3485000000e-03  3.4696000000e-03 -1.4730000000e-04  3.3372000000e-03 -1.1600000000e-05 -2.0550000000e-03 -1.5680000000e-04 -3.5176000000e-03  2.0603000000e-03
-
-JOB 67
-COORDS -5.9640100000e-01 -2.2584740000e+00 -4.9129000000e-02 -4.1416500000e-01 -1.4445120000e+00  4.2043400000e-01  2.0614300000e-01 -2.4377480000e+00 -5.3904300000e-01  5.5950800000e-01  2.2675070000e+00  7.2084000000e-02  4.2692900000e-01  1.3865950000e+00  4.2229500000e-01  2.6901000000e-01  2.2101260000e+00 -8.3816300000e-01
-ENERGY -1.526528106502e+02
-FORCES  4.0817000000e-03  1.4201000000e-03  2.0520000000e-04 -4.8290000000e-04 -2.1286000000e-03 -2.4351000000e-03 -3.5966000000e-03  1.2074000000e-03  2.1015000000e-03 -2.0491000000e-03 -3.0422000000e-03 -2.6081000000e-03  5.6580000000e-04  2.4871000000e-03 -1.3391000000e-03  1.4811000000e-03  5.6200000000e-05  4.0756000000e-03
-
-JOB 68
-COORDS -4.2499800000e-01  1.9683490000e+00 -1.0841210000e+00 -1.3821900000e+00  1.9646550000e+00 -1.0829830000e+00 -1.8796400000e-01  2.8355340000e+00 -7.5543100000e-01  4.1745300000e-01 -1.9920660000e+00  1.1194490000e+00  9.7037200000e-01 -2.7733060000e+00  1.1327370000e+00  5.6777600000e-01 -1.6063150000e+00  2.5641300000e-01
-ENERGY -1.526552313752e+02
-FORCES -3.1286000000e-03  3.9177000000e-03  1.8079000000e-03  3.9968000000e-03  4.8800000000e-05 -2.4350000000e-04 -1.0313000000e-03 -3.4290000000e-03 -1.5599000000e-03  2.8684000000e-03 -7.9990000000e-04 -3.8475000000e-03 -2.1927000000e-03  3.0627000000e-03  2.2000000000e-06 -5.1260000000e-04 -2.8003000000e-03  3.8408000000e-03
-
-JOB 69
-COORDS -6.5970400000e-01  1.6535950000e+00 -1.6116770000e+00 -1.1749500000e-01  2.0172300000e+00 -2.3116850000e+00 -8.3421400000e-01  2.3958930000e+00 -1.0330830000e+00  5.9362400000e-01 -1.7066550000e+00  1.6774560000e+00  5.7450700000e-01 -1.2448610000e+00  8.3923600000e-01  1.3189640000e+00 -2.3256390000e+00  1.5939540000e+00
-ENERGY -1.526552990007e+02
-FORCES  9.0390000000e-04  5.1668000000e-03 -7.3360000000e-04 -2.1113000000e-03 -1.6367000000e-03  2.9819000000e-03  9.1340000000e-04 -3.1273000000e-03 -2.5359000000e-03  2.3950000000e-03 -3.1900000000e-04 -4.2904000000e-03  6.8500000000e-04 -2.5122000000e-03  4.1752000000e-03 -2.7859000000e-03  2.4285000000e-03  4.0270000000e-04
-
-JOB 70
-COORDS  3.2222000000e-02 -2.3988550000e+00  6.8452200000e-01 -8.3748400000e-01 -2.7766930000e+00  5.5381900000e-01  1.3436000000e-02 -1.5776450000e+00  1.9310200000e-01  2.1370000000e-03  2.4376690000e+00 -6.5236200000e-01 -5.2846800000e-01  1.6904260000e+00 -3.7610700000e-01  8.4441100000e-01  2.0557410000e+00 -8.9921600000e-01
-ENERGY -1.526530031920e+02
-FORCES -3.7707000000e-03  1.0389000000e-03 -2.4342000000e-03  3.7352000000e-03  1.8266000000e-03  5.2240000000e-04  5.6000000000e-05 -2.5026000000e-03  1.9630000000e-03  1.5160000000e-03 -3.8221000000e-03  3.0510000000e-04  2.3877000000e-03  2.2816000000e-03 -1.4054000000e-03 -3.9242000000e-03  1.1775000000e-03  1.0491000000e-03
-
-JOB 71
-COORDS -1.0104320000e+00  2.2791810000e+00  2.7077000000e-01 -1.0789160000e+00  2.1194230000e+00  1.2120560000e+00 -1.1163890000e+00  1.4152930000e+00 -1.2760500000e-01  1.0435010000e+00 -2.1805960000e+00 -2.5300100000e-01  7.7170000000e-01 -3.0969110000e+00 -2.0082000000e-01  9.1973500000e-01 -1.9455580000e+00 -1.1726050000e+00
-ENERGY -1.526547018283e+02
-FORCES -1.4600000000e-04 -4.7015000000e-03  2.6138000000e-03 -4.9700000000e-05  1.0151000000e-03 -3.7353000000e-03 -9.6000000000e-06  3.8657000000e-03  1.0184000000e-03 -7.8310000000e-04 -3.3689000000e-03 -3.7285000000e-03  1.0032000000e-03  3.9230000000e-03 -2.0060000000e-04 -1.4700000000e-05 -7.3350000000e-04  4.0323000000e-03
-
-JOB 72
-COORDS -8.6976900000e-01 -2.2017930000e+00  7.8789200000e-01 -1.5920930000e+00 -2.5888070000e+00  2.9322000000e-01 -3.9061400000e-01 -1.6798740000e+00  1.4427500000e-01  9.2398800000e-01  2.1375450000e+00 -7.2178300000e-01  1.5869000000e-01  2.2790330000e+00 -1.2790370000e+00  1.0026090000e+00  2.9443130000e+00 -2.1268900000e-01
-ENERGY -1.526547390312e+02
-FORCES -3.5470000000e-04  9.5990000000e-04 -4.5868000000e-03  2.7799000000e-03  1.6140000000e-03  1.9606000000e-03 -2.6162000000e-03 -2.8780000000e-03  2.4952000000e-03 -2.5529000000e-03  4.5590000000e-03  2.3960000000e-04  3.0852000000e-03 -1.0457000000e-03  2.2259000000e-03 -3.4120000000e-04 -3.2091000000e-03 -2.3344000000e-03
-
-JOB 73
-COORDS -9.4875800000e-01  1.9031840000e+00 -1.1969510000e+00 -1.3320790000e+00  2.3991710000e+00 -1.9203420000e+00 -2.4640800000e-01  2.4637370000e+00 -8.6723000000e-01  9.5088700000e-01 -1.9112930000e+00  1.1705600000e+00  1.4983980000e+00 -2.3544010000e+00  1.8187260000e+00  7.3027000000e-02 -2.2637530000e+00  1.3167330000e+00
-ENERGY -1.526538607419e+02
-FORCES  1.9368000000e-03  4.0136000000e-03 -1.4125000000e-03  1.4513000000e-03 -2.0593000000e-03  2.9468000000e-03 -3.1609000000e-03 -1.8465000000e-03 -1.5042000000e-03 -1.9503000000e-03 -3.0705000000e-03  2.9203000000e-03 -2.1156000000e-03  1.9031000000e-03 -2.6567000000e-03  3.8387000000e-03  1.0595000000e-03 -2.9370000000e-04
-
-JOB 74
-COORDS  3.4622400000e-01 -6.9980600000e-01 -2.4845620000e+00  1.1013130000e+00 -7.7140200000e-01 -3.0684680000e+00 -2.9594500000e-01 -1.3102860000e+00 -2.8467290000e+00 -3.9822000000e-01  7.3271100000e-01  2.5991560000e+00 -5.2359000000e-01  3.8175700000e-01  1.7174840000e+00  4.3710200000e-01  1.1980910000e+00  2.5556760000e+00
-ENERGY -1.526552202766e+02
-FORCES  5.1680000000e-04 -2.8990000000e-03 -4.3501000000e-03 -3.1165000000e-03  2.8100000000e-04  2.4095000000e-03  2.6738000000e-03  2.5335000000e-03  1.5736000000e-03  2.9783000000e-03  3.6040000000e-04 -4.3995000000e-03  2.0850000000e-04  1.4551000000e-03  4.2517000000e-03 -3.2609000000e-03 -1.7311000000e-03  5.1480000000e-04
-
-JOB 75
-COORDS -1.3260800000e-01 -1.2693480000e+00 -2.3896160000e+00 -3.7063900000e-01 -2.1282140000e+00 -2.7387900000e+00  5.2357800000e-01 -1.4566400000e+00 -1.7183690000e+00  8.9243000000e-02  1.3211760000e+00  2.4252110000e+00  8.4909600000e-01  1.8642230000e+00  2.2155540000e+00 -2.7523000000e-01  1.0794300000e+00  1.5737710000e+00
-ENERGY -1.526545898323e+02
-FORCES  1.6604000000e-03 -4.7972000000e-03  8.6000000000e-04  1.0475000000e-03  3.5577000000e-03  1.4352000000e-03 -2.8327000000e-03  1.2472000000e-03 -2.5270000000e-03  1.2086000000e-03  1.6142000000e-03 -4.4450000000e-03 -2.9583000000e-03 -2.3719000000e-03  8.9910000000e-04  1.8744000000e-03  7.4990000000e-04  3.7777000000e-03
-
-JOB 76
-COORDS -1.2667000000e-02 -2.0448920000e+00 -1.9279730000e+00 -8.8867600000e-01 -2.3142020000e+00 -1.6517240000e+00  5.5243300000e-01 -2.7770470000e+00 -1.6813080000e+00  4.0090000000e-02  2.1125370000e+00  1.9624730000e+00 -1.1412700000e-01  1.2936670000e+00  1.4914100000e+00  3.5403000000e-02  2.7855110000e+00  1.2818000000e+00
-ENERGY -1.526547570660e+02
-FORCES -1.1490000000e-03 -4.6490000000e-03  1.6364000000e-03  3.6570000000e-03  1.4110000000e-03 -9.0630000000e-04 -2.4105000000e-03  3.1096000000e-03 -9.3470000000e-04 -4.2160000000e-04 -7.1500000000e-04 -5.0879000000e-03  3.8490000000e-04  3.3824000000e-03  2.3792000000e-03 -6.0800000000e-05 -2.5389000000e-03  2.9132000000e-03
-
-JOB 77
-COORDS -2.5914300000e-01  3.0034410000e+00 -1.1157700000e-01 -2.3354000000e-02  3.9281940000e+00 -1.8551500000e-01 -1.1697230000e+00  2.9638280000e+00 -4.0399200000e-01  2.7486000000e-01 -3.1080970000e+00  1.7168500000e-01 -1.4102300000e-01 -2.2490250000e+00  9.9099000000e-02  1.0249350000e+00 -3.0624770000e+00 -4.2122100000e-01
-ENERGY -1.526545550395e+02
-FORCES -2.7056000000e-03  4.0227000000e-03 -1.3334000000e-03 -1.0134000000e-03 -3.8001000000e-03  2.4770000000e-04  3.7815000000e-03 -8.1700000000e-05  1.1407000000e-03  1.5449000000e-03  4.0911000000e-03 -2.5537000000e-03  1.4308000000e-03 -3.8231000000e-03  1.8490000000e-04 -3.0383000000e-03 -4.0900000000e-04  2.3137000000e-03
-
-JOB 78
-COORDS  9.8337800000e-01  2.4045220000e+00 -1.6787630000e+00  1.5522420000e+00  2.1028430000e+00 -2.3870110000e+00  2.2731300000e-01  2.7865910000e+00 -2.1244330000e+00 -9.0948800000e-01 -2.4439600000e+00  1.7479560000e+00 -1.0777780000e+00 -1.5290280000e+00  1.5225440000e+00 -1.7678450000e+00 -2.7942120000e+00  1.9862380000e+00
-ENERGY -1.526543202234e+02
-FORCES -4.5000000000e-04  3.4260000000e-04 -4.8622000000e-03 -2.4086000000e-03  1.3254000000e-03  2.8696000000e-03  2.9696000000e-03 -1.6322000000e-03  1.9356000000e-03 -3.9491000000e-03  2.6065000000e-03  2.4000000000e-06  3.9640000000e-04 -4.0103000000e-03  1.0413000000e-03  3.4417000000e-03  1.3680000000e-03 -9.8680000000e-04
-
-JOB 79
-COORDS -3.6242100000e-01 -2.3811420000e+00  2.1158870000e+00 -9.2815900000e-01 -2.7172590000e+00  2.8110120000e+00  3.5991600000e-01 -1.9564970000e+00  2.5786370000e+00  3.9010500000e-01  2.3262110000e+00 -2.2075260000e+00  5.0253500000e-01  3.2649630000e+00 -2.3569830000e+00 -3.6685800000e-01  2.2649290000e+00 -1.6248740000e+00
-ENERGY -1.526540551187e+02
-FORCES  8.6500000000e-04  2.2740000000e-04  4.6468000000e-03  2.2589000000e-03  1.4364000000e-03 -2.8521000000e-03 -3.0815000000e-03 -1.6988000000e-03 -1.7963000000e-03 -2.7822000000e-03  3.2984000000e-03  1.8016000000e-03 -4.0990000000e-04 -3.7980000000e-03  6.2600000000e-04  3.1498000000e-03  5.3470000000e-04 -2.4260000000e-03
-
-JOB 80
-COORDS -1.4695450000e+00  2.8475080000e+00 -9.8873200000e-01 -2.3500240000e+00  2.5675620000e+00 -7.3849200000e-01 -1.4440150000e+00  2.7380760000e+00 -1.9393130000e+00  1.4715940000e+00 -2.7994020000e+00  9.8900100000e-01  1.9015550000e+00 -2.3671190000e+00  1.7269020000e+00  1.8054940000e+00 -3.6962630000e+00  1.0085410000e+00
-ENERGY -1.526540566019e+02
-FORCES -3.3706000000e-03 -1.9911000000e-03 -2.8497000000e-03  3.4965000000e-03  1.3219000000e-03 -1.0107000000e-03 -1.6340000000e-04  6.3200000000e-04  3.8163000000e-03  3.1662000000e-03 -1.6413000000e-03  3.1318000000e-03 -1.7292000000e-03 -1.9424000000e-03 -2.9677000000e-03 -1.3996000000e-03  3.6209000000e-03 -1.2000000000e-04
-
-JOB 81
-COORDS -1.5956000000e-02  3.0251510000e+00  2.0216890000e+00  1.1869500000e-01  2.7722570000e+00  2.9350050000e+00  5.8740800000e-01  2.4701700000e+00  1.5275440000e+00 -1.2597000000e-02 -2.9467710000e+00 -2.1017580000e+00 -6.3665200000e-01 -2.7570990000e+00 -1.4011790000e+00  4.2508100000e-01 -3.7508000000e+00 -1.8221010000e+00
-ENERGY -1.526541030472e+02
-FORCES  3.1265000000e-03 -3.1616000000e-03  1.5961000000e-03 -5.9780000000e-04  9.6250000000e-04 -3.7203000000e-03 -2.5426000000e-03  2.2092000000e-03  2.1504000000e-03 -9.4980000000e-04 -2.6180000000e-03  3.8433000000e-03  2.7029000000e-03 -7.4030000000e-04 -2.7852000000e-03 -1.7392000000e-03  3.3481000000e-03 -1.0842000000e-03
-
-JOB 82
-COORDS -7.1792000000e-02 -3.4958980000e+00 -1.4796860000e+00  1.3756400000e-01 -2.6791980000e+00 -1.0264720000e+00 -9.3600000000e-04 -3.2794120000e+00 -2.4093870000e+00  7.4421000000e-02  3.4329700000e+00  1.5675670000e+00 -7.4496900000e-01  3.1776710000e+00  1.1437110000e+00  5.9054100000e-01  3.8356710000e+00  8.6922400000e-01
-ENERGY -1.526540047472e+02
-FORCES  1.2496000000e-03  4.1338000000e-03 -1.8359000000e-03 -9.4400000000e-04 -3.2938000000e-03 -1.9778000000e-03 -3.2860000000e-04 -8.2620000000e-04  3.7866000000e-03 -1.3227000000e-03  8.7350000000e-04 -4.4218000000e-03  3.4525000000e-03  9.0170000000e-04  1.6462000000e-03 -2.1068000000e-03 -1.7890000000e-03  2.8026000000e-03
-
-JOB 83
-COORDS  9.4515900000e-01 -3.8056580000e+00 -5.3248400000e-01  6.4859400000e-01 -4.6552370000e+00 -2.0614600000e-01  1.8976300000e-01 -3.2285470000e+00 -4.2044800000e-01 -8.3890400000e-01  3.8481820000e+00  5.4376100000e-01 -1.6682480000e+00  4.2455590000e+00  2.7822000000e-01 -8.5596800000e-01  2.9740720000e+00  1.5405200000e-01
-ENERGY -1.526539236181e+02
-FORCES -4.2131000000e-03 -1.2359000000e-03  1.8706000000e-03  1.1848000000e-03  3.5015000000e-03 -1.3612000000e-03  3.0376000000e-03 -2.2253000000e-03 -5.1850000000e-04 -3.3491000000e-03 -1.8606000000e-03 -2.7365000000e-03  3.3691000000e-03 -1.6693000000e-03  1.1064000000e-03 -2.9300000000e-05  3.4897000000e-03  1.6391000000e-03
-
-JOB 84
-COORDS  3.9080000000e-03 -3.9327380000e+00 -1.7962560000e+00  3.8253600000e-01 -3.1097310000e+00 -1.4871730000e+00  2.1198000000e-01 -3.9568120000e+00 -2.7302570000e+00 -3.9646000000e-02  3.8329430000e+00  1.8813050000e+00 -4.0657200000e-01  4.7157180000e+00  1.9293240000e+00  3.3021000000e-01  3.7743730000e+00  1.0003920000e+00
-ENERGY -1.526540064345e+02
-FORCES  2.3782000000e-03  3.2611000000e-03 -2.4418000000e-03 -1.5212000000e-03 -3.3562000000e-03 -1.3610000000e-03 -8.4870000000e-04  1.1510000000e-04  3.7904000000e-03 -5.2000000000e-05  3.4507000000e-03 -3.3153000000e-03  1.5226000000e-03 -3.6166000000e-03 -2.2320000000e-04 -1.4788000000e-03  1.4590000000e-04  3.5508000000e-03
-
-JOB 85
-COORDS -2.9735500000e-01  1.0724030000e+00  4.3898100000e+00 -1.1014940000e+00  1.1249140000e+00  3.8732480000e+00  1.6820400000e-01  3.1603800000e-01  4.0328810000e+00  3.0375100000e-01 -9.7214700000e-01 -4.3259920000e+00  1.1466380000e+00 -1.3670310000e+00 -4.5492400000e+00 -3.2261400000e-01 -1.6934610000e+00 -4.3860310000e+00
-ENERGY -1.526541424049e+02
-FORCES -1.3572000000e-03 -2.8014000000e-03 -3.7005000000e-03  3.2426000000e-03 -2.4600000000e-04  2.1854000000e-03 -1.8933000000e-03  3.0308000000e-03  1.5314000000e-03  9.2310000000e-04 -4.5253000000e-03 -1.3169000000e-03 -3.4610000000e-03  1.5944000000e-03  9.6680000000e-04  2.5459000000e-03  2.9476000000e-03  3.3390000000e-04
-
-JOB 86
-COORDS  1.1498480000e+00  2.9757660000e+00  3.3525860000e+00  5.4756800000e-01  2.6784150000e+00  2.6706230000e+00  1.6315140000e+00  3.6979070000e+00  2.9491740000e+00 -1.1387770000e+00 -2.9767890000e+00 -3.2264390000e+00 -1.0253470000e+00 -2.4309670000e+00 -4.0045420000e+00 -1.3131470000e+00 -3.8526280000e+00 -3.5710150000e+00
-ENERGY -1.526541314420e+02
-FORCES -5.2110000000e-04  1.5972000000e-03 -4.4820000000e-03  2.4675000000e-03  1.3232000000e-03  2.8162000000e-03 -1.9469000000e-03 -2.8975000000e-03  1.6604000000e-03 -2.4870000000e-04 -1.4565000000e-03 -4.5838000000e-03 -4.5910000000e-04 -2.1654000000e-03  3.2012000000e-03  7.0820000000e-04  3.5990000000e-03  1.3880000000e-03
-
-JOB 87
-COORDS  6.1199500000e-01 -4.5244590000e+00 -1.1749220000e+00  1.1919750000e+00 -4.6850170000e+00 -1.9192850000e+00  5.6869000000e-01 -3.5707430000e+00 -1.1057710000e+00 -6.0972100000e-01  4.4189120000e+00  1.2062710000e+00 -3.1750500000e-01  5.1956110000e+00  1.6833260000e+00 -1.4929570000e+00  4.6378520000e+00  9.0930200000e-01
-ENERGY -1.526542083787e+02
-FORCES  2.2003000000e-03  3.3429000000e-03 -2.6863000000e-03 -2.3632000000e-03  6.0730000000e-04  3.0055000000e-03  1.6650000000e-04 -3.9713000000e-03 -3.3670000000e-04 -2.4372000000e-03  4.1009000000e-03  8.0840000000e-04 -1.1863000000e-03 -3.1686000000e-03 -1.9682000000e-03  3.6199000000e-03 -9.1130000000e-04  1.1774000000e-03
-
-JOB 88
-COORDS  7.0330000000e-02  4.1047360000e+00  3.7096870000e+00 -9.1072000000e-02  3.1942570000e+00  3.4622810000e+00 -7.0950400000e-01  4.3615710000e+00  4.2017510000e+00 -1.8631000000e-02 -4.0256050000e+00 -3.6709910000e+00  6.9390100000e-01 -4.5207220000e+00 -4.0752050000e+00 -7.9583600000e-01 -4.2698860000e+00 -4.1734960000e+00
-ENERGY -1.526541290376e+02
-FORCES -3.8281000000e-03 -2.7257000000e-03  9.3230000000e-04  6.4680000000e-04  3.7500000000e-03  1.0617000000e-03  3.1749000000e-03 -1.0213000000e-03 -1.9841000000e-03 -2.2950000000e-04 -3.0106000000e-03 -3.7368000000e-03 -2.9196000000e-03  2.0106000000e-03  1.6575000000e-03  3.1556000000e-03  9.9700000000e-04  2.0694000000e-03
-
-JOB 89
-COORDS  1.1287520000e+00  6.3074640000e+00  1.7028990000e+00  1.1143500000e+00  7.2230920000e+00  1.9815540000e+00  1.4224410000e+00  6.3382970000e+00  7.9239000000e-01 -1.1615100000e+00 -6.4203940000e+00 -1.6648170000e+00 -1.7163340000e+00 -5.6461010000e+00 -1.7590190000e+00 -2.7451200000e-01 -6.0710200000e+00 -1.5787760000e+00
-ENERGY -1.526541069165e+02
-FORCES  1.1439000000e-03  3.8999000000e-03 -2.5520000000e-03  5.8600000000e-05 -3.7429000000e-03 -1.1467000000e-03 -1.2031000000e-03 -1.5450000000e-04  3.7040000000e-03  1.3526000000e-03  4.6039000000e-03  5.3000000000e-06  2.2595000000e-03 -3.1688000000e-03  3.6120000000e-04 -3.6115000000e-03 -1.4377000000e-03 -3.7170000000e-04
-
-JOB 0
-COORDS  1.1777420000e+00 -1.1363000000e-02  3.8540600000e-01  1.9089610000e+00  6.0591500000e-01  4.0817200000e-01  9.9809100000e-01 -2.0463000000e-01  1.3055170000e+00 -1.2297860000e+00 -1.6013000000e-02 -5.0979300000e-01 -1.8198870000e+00 -1.9293000000e-02  2.4386600000e-01 -3.5244200000e-01  3.9320000000e-03 -1.2756300000e-01
-ENERGY -1.526547947822e+02
-FORCES -1.0529600000e-02  3.5659000000e-03 -4.6774000000e-03 -3.1698000000e-03 -4.3007000000e-03  2.0043000000e-03 -2.2522000000e-03  2.5530000000e-03 -6.4913000000e-03  1.9515000000e-02  1.4984000000e-03  5.9611000000e-03  4.5039000000e-03 -2.4840000000e-04 -3.4720000000e-04 -8.0672000000e-03 -3.0682000000e-03  3.5504000000e-03
-
-JOB 1
-COORDS  9.7451300000e-01 -1.1747100000e-01 -9.3333000000e-01  8.6990700000e-01 -1.0589750000e+00 -1.0706590000e+00  4.3069000000e-01  7.5544000000e-02 -1.6963300000e-01 -8.8474800000e-01  2.0755900000e-01  8.9317300000e-01 -8.4800100000e-01 -6.9838900000e-01  1.1999940000e+00 -1.7970110000e+00  3.3614800000e-01  6.3341700000e-01
-ENERGY -1.526557385007e+02
-FORCES -1.4888900000e-02  2.1939000000e-03  1.2545800000e-02 -8.6980000000e-04  2.3394000000e-03  1.8832000000e-03  7.3092000000e-03 -4.9892000000e-03 -2.4961000000e-03  2.4881000000e-03 -1.9647000000e-03 -9.7630000000e-03  1.8577000000e-03  4.6460000000e-03 -4.9453000000e-03  4.1037000000e-03 -2.2254000000e-03  2.7755000000e-03
-
-JOB 2
-COORDS  5.5231400000e-01  9.6782400000e-01 -5.8073000000e-01  8.8340900000e-01  1.7147510000e+00 -8.2025000000e-02  1.6895500000e-01  1.3555020000e+00 -1.3674780000e+00 -5.1818000000e-01 -1.0881610000e+00  5.8700600000e-01 -1.1914440000e+00 -9.0889300000e-01  1.2433670000e+00 -3.8658100000e-01 -2.5034600000e-01  1.4318200000e-01
-ENERGY -1.526575004137e+02
-FORCES -1.9210000000e-03 -4.6564000000e-03  5.2208000000e-03 -2.5098000000e-03 -3.1292000000e-03 -3.6478000000e-03  1.1130000000e-03 -2.2331000000e-03  5.5581000000e-03  6.8564000000e-03  1.4567700000e-02 -7.4647000000e-03  2.7767000000e-03  1.9274000000e-03 -2.5253000000e-03 -6.3153000000e-03 -6.4763000000e-03  2.8588000000e-03
-
-JOB 3
-COORDS -7.2086500000e-01 -9.0147200000e-01  7.3266300000e-01 -2.0894800000e-01 -2.0683800000e-01  3.1834800000e-01 -7.4324000000e-02 -1.5648960000e+00  9.7367200000e-01  6.9092200000e-01  8.5696100000e-01 -6.8795300000e-01  5.0160000000e-01  8.8451100000e-01 -1.6258390000e+00  2.3269600000e-01  1.6164670000e+00 -3.2821500000e-01
-ENERGY -1.526584112855e+02
-FORCES  1.2426400000e-02  9.0271000000e-03 -9.9212000000e-03 -6.8984000000e-03 -2.1040000000e-04  7.4963000000e-03 -1.4119000000e-03  1.8976000000e-03 -1.1049000000e-03 -5.8640000000e-03 -4.0609000000e-03 -7.9020000000e-04  1.1654000000e-03  1.2669000000e-03  5.0505000000e-03  5.8250000000e-04 -7.9203000000e-03 -7.3050000000e-04
-
-JOB 4
-COORDS  6.2310800000e-01 -3.1818400000e-01 -1.0643700000e+00  9.1908900000e-01 -1.2225340000e+00 -1.1681860000e+00  1.3233900000e+00  2.0914800000e-01 -1.4487620000e+00 -6.6578600000e-01  3.7693200000e-01  1.1507680000e+00 -1.5139830000e+00  6.1214000000e-02  8.3913500000e-01 -4.2025000000e-02  8.4877000000e-02  4.8604500000e-01
-ENERGY -1.526591857799e+02
-FORCES -1.1150000000e-03  2.2049000000e-03  4.6751000000e-03 -1.4998000000e-03  5.3693000000e-03  8.8230000000e-04 -3.2196000000e-03 -4.0252000000e-03  2.0009000000e-03  6.2877000000e-03 -4.8644000000e-03 -1.6582400000e-02  1.8882000000e-03  2.4700000000e-04  1.1875000000e-03 -2.3414000000e-03  1.0683000000e-03  7.8366000000e-03
-
-JOB 5
-COORDS -8.4926700000e-01  1.3960200000e-01  1.0950120000e+00 -4.3756000000e-01  2.5139700000e-01  2.3813900000e-01 -1.1620100000e-01  3.7760000000e-02  1.7020320000e+00  7.6177900000e-01 -8.6447000000e-02 -1.0495400000e+00  1.3458680000e+00 -1.5559200000e-01 -1.8047160000e+00  5.3293800000e-01 -9.9183400000e-01 -8.3945000000e-01
-ENERGY -1.526576147606e+02
-FORCES  9.7062000000e-03  3.7165000000e-03 -7.3531000000e-03 -2.7406000000e-03 -7.5468000000e-03  2.7095000000e-03 -2.3927000000e-03 -1.0385000000e-03 -1.6340000000e-03 -2.3575000000e-03 -3.2790000000e-04  1.7989000000e-03 -2.2965000000e-03 -2.1300000000e-03  4.2421000000e-03  8.1100000000e-05  7.3266000000e-03  2.3660000000e-04
-
-JOB 6
-COORDS  1.2426030000e+00 -6.0197600000e-01 -1.0399300000e-01  1.1885030000e+00 -1.0747290000e+00  7.2655400000e-01  4.1269400000e-01 -1.2899500000e-01 -1.6541200000e-01 -1.1529380000e+00  5.5522200000e-01  6.7042000000e-02 -1.1208080000e+00  1.2687840000e+00 -5.7016200000e-01 -1.9434230000e+00  7.2611400000e-01  5.7905900000e-01
-ENERGY -1.526570965709e+02
-FORCES -1.5617600000e-02  4.4087000000e-03  5.4960000000e-03  8.8920000000e-04  5.6050000000e-04 -1.8036000000e-03  4.8553000000e-03  2.2493000000e-03 -5.6661000000e-03  5.5221000000e-03 -2.9847000000e-03  1.6802000000e-03  1.1889000000e-03 -4.9260000000e-03  3.8308000000e-03  3.1620000000e-03  6.9220000000e-04 -3.5373000000e-03
-
-JOB 7
-COORDS -4.0417700000e-01  1.2329270000e+00 -1.1350500000e-01 -8.6736300000e-01  1.5238610000e+00 -8.9903000000e-01 -1.0546430000e+00  1.2961020000e+00  5.8587600000e-01  5.1229400000e-01 -1.2671040000e+00  1.7081900000e-01  2.5245700000e-01 -1.9305360000e+00 -4.6837900000e-01  1.1278600000e-01 -4.5762500000e-01 -1.4756600000e-01
-ENERGY -1.526594538613e+02
-FORCES -1.3995000000e-03 -2.7132000000e-03  2.5117000000e-03  2.0598000000e-03 -3.3233000000e-03  4.2669000000e-03  3.0228000000e-03 -5.9160000000e-04 -5.0459000000e-03 -4.6810000000e-03  1.3717200000e-02 -3.2128000000e-03 -4.0370000000e-04  4.0780000000e-03  9.6640000000e-04  1.4015000000e-03 -1.1167200000e-02  5.1370000000e-04
-
-JOB 8
-COORDS -7.1106900000e-01  1.1728150000e+00 -2.3944700000e-01 -2.5825200000e-01  3.4280900000e-01 -9.0184000000e-02 -6.4729300000e-01  1.6347060000e+00  5.9650900000e-01  6.6529300000e-01 -1.1060870000e+00  2.2486500000e-01  1.6699800000e-01 -1.8918260000e+00  3.5000000000e-05  1.4465780000e+00 -1.1514960000e+00 -3.2628300000e-01
-ENERGY -1.526610025043e+02
-FORCES  8.6236000000e-03 -1.3002600000e-02  5.4737000000e-03 -5.6534000000e-03  8.0628000000e-03 -3.0535000000e-03  2.6710000000e-04 -1.6732000000e-03 -2.0660000000e-03 -1.3759000000e-03  2.1134000000e-03 -3.4216000000e-03  3.0101000000e-03  4.7774000000e-03  3.9810000000e-04 -4.8714000000e-03 -2.7780000000e-04  2.6693000000e-03
-
-JOB 9
-COORDS -3.9054100000e-01 -5.9748100000e-01 -1.2192860000e+00 -1.5065100000e-01  1.4533300000e-01 -6.6528900000e-01  2.1900900000e-01 -1.2912740000e+00 -9.6762700000e-01  3.2399000000e-01  5.7471300000e-01  1.1040960000e+00  1.1854100000e-01  1.3935580000e+00  1.5552230000e+00  7.9197300000e-01  5.2593000000e-02  1.7557210000e+00
-ENERGY -1.526570179120e+02
-FORCES  5.9210000000e-03  4.5495000000e-03  1.4266800000e-02 -2.1164000000e-03  4.9760000000e-04 -6.5268000000e-03 -1.5742000000e-03  5.1850000000e-04 -1.0964000000e-03 -1.1459000000e-03 -4.3253000000e-03 -1.9119000000e-03  1.0101000000e-03 -4.3764000000e-03 -2.2763000000e-03 -2.0946000000e-03  3.1361000000e-03 -2.4555000000e-03
-
-JOB 10
-COORDS  3.8104600000e-01  1.1366760000e+00 -5.5940800000e-01 -4.6341000000e-02  1.0104010000e+00 -1.4065360000e+00  1.7392100000e-01  2.0395670000e+00 -3.1832700000e-01 -4.1099200000e-01 -1.1821090000e+00  6.1900800000e-01  2.6437800000e-01 -1.8438070000e+00  7.6821400000e-01  2.2062000000e-02 -5.1226400000e-01  8.9855000000e-02
-ENERGY -1.526590993826e+02
-FORCES -4.7368000000e-03  3.2440000000e-04  4.0511000000e-03  2.0648000000e-03 -1.2478000000e-03  5.8010000000e-03  1.0847000000e-03 -3.2850000000e-03 -3.4035000000e-03  5.7125000000e-03  1.0564300000e-02 -3.4375000000e-03 -1.2433000000e-03  3.3001000000e-03 -1.2715000000e-03 -2.8820000000e-03 -9.6560000000e-03 -1.7395000000e-03
-
-JOB 11
-COORDS  4.4304600000e-01 -9.4003500000e-01 -9.8950800000e-01  5.4477200000e-01 -2.0273200000e-01 -3.8762100000e-01 -4.9822200000e-01 -1.1136710000e+00 -9.9938000000e-01 -3.4183500000e-01  8.5375300000e-01  9.5521200000e-01 -2.2873700000e-01  1.7952320000e+00  8.2461100000e-01 -1.2888150000e+00  7.3327300000e-01  1.0255440000e+00
-ENERGY -1.526577178107e+02
-FORCES -6.7216000000e-03  9.0891000000e-03  1.0936300000e-02  4.6844000000e-03 -2.7645000000e-03 -6.0093000000e-03  1.4671000000e-03 -5.3860000000e-04 -6.9900000000e-04 -3.5627000000e-03 -1.1841000000e-03 -2.8294000000e-03 -3.8760000000e-04 -5.4827000000e-03 -3.8380000000e-04  4.5205000000e-03  8.8090000000e-04 -1.0148000000e-03
-
-JOB 12
-COORDS  5.9354900000e-01 -1.0821620000e+00  6.3042200000e-01  3.8147600000e-01 -2.0003580000e+00  4.6257300000e-01 -1.1286200000e-01 -5.9193800000e-01  2.0983200000e-01 -4.7945700000e-01  1.0940580000e+00 -5.7307300000e-01 -8.2530200000e-01  7.4921900000e-01 -1.3963040000e+00 -1.1982880000e+00  1.6102210000e+00 -2.0825900000e-01
-ENERGY -1.526567864338e+02
-FORCES -5.1030000000e-03  9.0686000000e-03 -4.3949000000e-03 -7.7720000000e-04  4.7059000000e-03 -1.2442000000e-03  1.0516000000e-03 -1.0220900000e-02  1.6488000000e-03 -3.0880000000e-04  1.2555000000e-03 -6.5290000000e-04  1.4999000000e-03 -1.0570000000e-03  6.6726000000e-03  3.6375000000e-03 -3.7521000000e-03 -2.0294000000e-03
-
-JOB 13
-COORDS  2.2173700000e-01 -6.4585200000e-01  1.2378060000e+00  2.1317200000e-01 -1.1559000000e-01  4.4095000000e-01 -3.1255000000e-01 -1.5244800000e-01  1.8601580000e+00 -1.3618500000e-01  5.9919700000e-01 -1.1863760000e+00 -2.7420100000e-01 -4.2362000000e-02 -1.8832150000e+00 -9.4480200000e-01  1.1110820000e+00 -1.1678440000e+00
-ENERGY -1.526601477193e+02
-FORCES -2.2573000000e-03  8.1510000000e-03 -1.1515700000e-02  9.6130000000e-04 -4.2070000000e-03  9.5923000000e-03  8.8090000000e-04 -6.9290000000e-04 -2.8876000000e-03 -3.4511000000e-03 -4.2661000000e-03  1.1412000000e-03 -6.9400000000e-05  4.1290000000e-03  3.1734000000e-03  3.9356000000e-03 -3.1140000000e-03  4.9650000000e-04
-
-JOB 14
-COORDS  1.3015050000e+00  4.3732300000e-01  3.3013600000e-01  1.9719650000e+00 -1.5850300000e-01 -4.0900000000e-03  4.8032500000e-01 -4.3723000000e-02  2.2771100000e-01 -1.2515730000e+00 -3.8757100000e-01 -2.4924300000e-01 -1.5219450000e+00 -9.5351500000e-01 -9.7231700000e-01 -1.6462840000e+00  4.6140200000e-01 -4.4844200000e-01
-ENERGY -1.526607202101e+02
-FORCES -1.0825500000e-02 -6.6135000000e-03 -3.2679000000e-03 -2.9940000000e-03  9.9550000000e-04  3.6940000000e-04  9.2034000000e-03  3.8937000000e-03  2.5953000000e-03  2.0941000000e-03  3.6149000000e-03 -3.2168000000e-03  1.0366000000e-03  3.3019000000e-03  3.0780000000e-03  1.4855000000e-03 -5.1926000000e-03  4.4190000000e-04
-
-JOB 15
-COORDS  1.8906800000e-01  1.1914350000e+00 -7.5069500000e-01 -1.8243200000e-01  1.0880140000e+00 -1.6267800000e+00  1.2712100000e-01  3.2008600000e-01 -3.5935700000e-01 -1.7214100000e-01 -1.0760010000e+00  7.3541200000e-01  6.0825600000e-01 -1.6245040000e+00  8.1513900000e-01 -7.6960200000e-01 -1.4099890000e+00  1.4045340000e+00
-ENERGY -1.526599955230e+02
-FORCES -3.6985000000e-03 -1.0426800000e-02  5.3815000000e-03  8.5560000000e-04 -6.6580000000e-04  2.9640000000e-03  4.3738000000e-03  5.2761000000e-03 -6.2276000000e-03 -1.3446000000e-03  3.3872000000e-03  1.0890000000e-03 -4.3008000000e-03  3.0409000000e-03 -6.3020000000e-04  4.1145000000e-03 -6.1160000000e-04 -2.5766000000e-03
-
-JOB 16
-COORDS  1.8501600000e-01 -7.6777800000e-01 -1.1405010000e+00 -6.7415600000e-01 -1.1550440000e+00 -9.7293000000e-01  7.9260800000e-01 -1.3006180000e+00 -6.2752400000e-01 -1.7191600000e-01  8.0002000000e-01  1.1619790000e+00 -7.6156000000e-02  2.8855400000e-01  3.5857100000e-01 -2.6025800000e-01  1.7045430000e+00  8.6153700000e-01
-ENERGY -1.526595721545e+02
-FORCES -1.6770000000e-04 -4.6755000000e-03  1.5166000000e-03  5.4289000000e-03  4.8503000000e-03  1.7219000000e-03 -4.8949000000e-03  5.3068000000e-03 -9.7300000000e-04  2.2486000000e-03 -2.7746000000e-03 -1.3110700000e-02 -2.6268000000e-03  1.7970000000e-04  1.0221000000e-02  1.1800000000e-05 -2.8867000000e-03  6.2420000000e-04
-
-JOB 17
-COORDS -4.2704400000e-01  1.1136390000e+00 -6.4392800000e-01  2.0039700000e-01  1.8320380000e+00 -7.2425500000e-01 -1.1177170000e+00  1.4602610000e+00 -7.9078000000e-02  4.6360100000e-01 -1.1306430000e+00  6.5710100000e-01  4.8863200000e-01 -2.0874120000e+00  6.7123300000e-01 -1.6033100000e-01 -9.1711900000e-01 -3.6692000000e-02
-ENERGY -1.526573127634e+02
-FORCES  4.4619000000e-03  1.7768000000e-03  5.0582000000e-03 -3.7312000000e-03 -1.5408000000e-03  1.0400000000e-05  2.6357000000e-03 -2.1282000000e-03 -2.8035000000e-03 -3.0565000000e-03  4.3743000000e-03 -5.5570000000e-03 -8.3210000000e-04  4.5601000000e-03 -1.2901000000e-03  5.2220000000e-04 -7.0422000000e-03  4.5820000000e-03
-
-JOB 18
-COORDS  2.1390400000e-01 -1.2983200000e+00 -2.4431300000e-01 -1.2353100000e-01 -1.9587890000e+00 -8.4941700000e-01  1.1656320000e+00 -1.3699870000e+00 -3.1718900000e-01 -2.2142000000e-01  1.3566610000e+00  3.4263800000e-01 -6.8699000000e-02  5.5768100000e-01 -1.6188100000e-01 -8.3886700000e-01  1.8607890000e+00 -1.8731200000e-01
-ENERGY -1.526593828317e+02
-FORCES  9.7380000000e-04 -1.1957000000e-03 -1.1200000000e-04  2.2839000000e-03  3.2451000000e-03  2.9396000000e-03 -5.7674000000e-03  1.4606000000e-03 -6.8040000000e-04 -7.8590000000e-04 -1.0762800000e-02 -3.9040000000e-03  1.5869000000e-03  1.0151000000e-02  7.7310000000e-04  1.7088000000e-03 -2.8982000000e-03  9.8370000000e-04
-
-JOB 19
-COORDS -1.3005680000e+00  1.6466400000e-01  6.2547700000e-01 -1.4365140000e+00 -5.0250700000e-01 -4.7303000000e-02 -3.8024700000e-01  4.1200400000e-01  5.3567500000e-01  1.2023970000e+00 -1.7545400000e-01 -6.1490100000e-01  1.8888680000e+00  3.1027600000e-01 -1.0721270000e+00  1.4408450000e+00 -1.1463200000e-01  3.1012600000e-01
-ENERGY -1.526547891538e+02
-FORCES  8.2262000000e-03 -2.6503000000e-03 -1.0405100000e-02 -2.5020000000e-03  1.2812000000e-03  3.2549000000e-03  2.3448000000e-03 -4.1270000000e-04  7.4031000000e-03  2.3569000000e-03  1.3365000000e-03  1.3117000000e-03 -3.4508000000e-03 -2.5007000000e-03  2.7762000000e-03 -6.9752000000e-03  2.9459000000e-03 -4.3408000000e-03
-
-JOB 20
-COORDS  8.8897400000e-01 -5.5982600000e-01 -1.0051590000e+00  3.6006200000e-01 -8.4748000000e-01 -1.7492950000e+00  2.5046600000e-01 -3.5158700000e-01 -3.2312100000e-01 -8.2412300000e-01  5.9452500000e-01  9.4479100000e-01 -1.5032920000e+00  8.3832000000e-02  1.3854210000e+00 -8.4111000000e-02  5.8396000000e-01  1.5518350000e+00
-ENERGY -1.526600386969e+02
-FORCES -1.0131700000e-02  4.5331000000e-03  4.5540000000e-03  1.1506000000e-03  5.7060000000e-04  2.5252000000e-03  8.6533000000e-03 -5.1367000000e-03 -3.2549000000e-03  1.1800000000e-04  2.4810000000e-04  4.4280000000e-03  4.1057000000e-03  2.0922000000e-03 -2.7772000000e-03 -3.8959000000e-03 -2.3072000000e-03 -5.4752000000e-03
-
-JOB 21
-COORDS  2.6029700000e-01 -9.5003000000e-02 -1.3809490000e+00  7.1705400000e-01 -9.2412700000e-01 -1.2389700000e+00  9.5961000000e-01  5.5388700000e-01 -1.4592800000e+00 -3.0896000000e-01  1.6566300000e-01  1.4090810000e+00 -9.1719900000e-01 -5.0396000000e-01  1.7219430000e+00  1.5100000000e-04 -1.6594500000e-01  5.6604000000e-01
-ENERGY -1.526571940186e+02
-FORCES  3.9887000000e-03  2.3686000000e-03 -2.2022000000e-03 -4.1944000000e-03  5.4651000000e-03  4.4269000000e-03 -3.6166000000e-03 -4.3451000000e-03  1.1629000000e-03 -1.4490000000e-03 -1.9510000000e-03 -1.0584400000e-02  2.5417000000e-03  1.5766000000e-03 -2.0263000000e-03  2.7296000000e-03 -3.1142000000e-03  9.2230000000e-03
-
-JOB 22
-COORDS  1.1743970000e+00 -7.4166200000e-01 -1.3531500000e-01  7.9110000000e-01 -1.6172750000e+00 -1.8648200000e-01  1.5424260000e+00 -5.8955400000e-01 -1.0057460000e+00 -1.2356020000e+00  7.7687800000e-01  1.9846600000e-01 -5.4614000000e-01  1.1290200000e-01  1.9524300000e-01 -7.8445200000e-01  1.5923760000e+00 -1.9842000000e-02
-ENERGY -1.526594802746e+02
-FORCES  5.9050000000e-04 -1.4413000000e-03 -4.7500000000e-03 -2.4920000000e-04  6.5855000000e-03  4.1960000000e-04 -1.8413000000e-03 -9.2060000000e-04  4.5187000000e-03  1.3028300000e-02 -2.9001000000e-03 -1.1239000000e-03 -9.4368000000e-03  2.4140000000e-04  9.4740000000e-04 -2.0915000000e-03 -1.5650000000e-03 -1.1900000000e-05
-
-JOB 23
-COORDS -1.4836600000e-01  6.9096700000e-01  1.1963860000e+00 -1.0722480000e+00  6.2955500000e-01  1.4390840000e+00  3.0745600000e-01  1.6219500000e-01  1.8512600000e+00  1.5058500000e-01 -6.6333100000e-01 -1.3124900000e+00 -1.0830200000e-01 -3.1107000000e-02 -6.4204100000e-01  8.7523500000e-01 -1.1484660000e+00 -9.1782700000e-01
-ENERGY -1.526594539783e+02
-FORCES -6.0250000000e-04 -3.9588000000e-03  3.1917000000e-03  5.0292000000e-03 -3.4090000000e-04 -2.3566000000e-03 -2.4225000000e-03  2.3041000000e-03 -3.2840000000e-03  1.8814000000e-03  5.3284000000e-03  1.1914900000e-02 -2.1560000000e-03 -3.6760000000e-03 -8.1145000000e-03 -1.7297000000e-03  3.4310000000e-04 -1.3515000000e-03
-
-JOB 24
-COORDS -6.3021300000e-01  4.1985900000e-01  1.1924650000e+00  6.8580000000e-03 -9.6680000000e-02  1.6859840000e+00 -3.4361200000e-01  1.3261150000e+00  1.3055620000e+00  5.9279800000e-01 -4.0117300000e-01 -1.2816580000e+00  8.5646000000e-01 -1.3166100000e+00 -1.1884470000e+00  1.3369400000e-01 -1.9945000000e-01 -4.6632800000e-01
-ENERGY -1.526600146621e+02
-FORCES  3.0667000000e-03  3.7107000000e-03  3.5042000000e-03 -2.5891000000e-03  1.7699000000e-03 -5.8455000000e-03 -1.1218000000e-03 -5.3569000000e-03 -5.3350000000e-04 -6.2429000000e-03  8.3040000000e-04  8.6266000000e-03 -9.2670000000e-04  3.2349000000e-03  1.3925000000e-03  7.8138000000e-03 -4.1889000000e-03 -7.1444000000e-03
-
-JOB 25
-COORDS -9.8374000000e-02 -4.0537600000e-01 -1.3249450000e+00 -5.0174800000e-01 -1.1479710000e+00 -1.7744710000e+00 -7.0960900000e-01  3.1852400000e-01 -1.4612960000e+00  1.1432600000e-01  3.8382900000e-01  1.4037810000e+00  8.0873900000e-01  1.0276310000e+00  1.5435680000e+00  2.0303600000e-01  1.3085000000e-01  4.8488800000e-01
-ENERGY -1.526608050385e+02
-FORCES -4.3647000000e-03 -2.3201000000e-03 -7.1680000000e-04  1.1126000000e-03  4.4889000000e-03  6.9360000000e-04  4.0760000000e-03 -3.8182000000e-03  2.3758000000e-03  2.6196000000e-03 -3.4609000000e-03 -8.4882000000e-03 -2.4515000000e-03 -1.9478000000e-03 -1.7277000000e-03 -9.9200000000e-04  7.0582000000e-03  7.8633000000e-03
-
-JOB 26
-COORDS -4.5581000000e-02 -4.7586500000e-01 -1.3793200000e+00  1.7346400000e-01 -2.1413200000e-01 -4.8503500000e-01  8.0045200000e-01 -6.4461500000e-01 -1.7940290000e+00 -6.0260000000e-03  4.6422200000e-01  1.2847350000e+00 -1.2192100000e-01 -2.1031200000e-01  1.9539160000e+00 -9.1526000000e-02  1.2907870000e+00  1.7598270000e+00
-ENERGY -1.526609244303e+02
-FORCES  2.2298000000e-03  3.9200000000e-03  8.2544000000e-03  8.8300000000e-04 -5.5500000000e-03 -8.2765000000e-03 -2.3438000000e-03  8.4950000000e-04  2.3547000000e-03 -1.9534000000e-03  1.6192000000e-03  8.9410000000e-04  9.2610000000e-04  3.7454000000e-03 -3.0089000000e-03  2.5820000000e-04 -4.5841000000e-03 -2.1770000000e-04
-
-JOB 27
-COORDS -1.9699200000e-01  1.4460470000e+00  2.8850500000e-01 -1.1225490000e+00  1.5032950000e+00  5.1232000000e-02 -5.4340000000e-03  5.0822500000e-01  2.8315100000e-01  2.2572400000e-01 -1.3708950000e+00 -2.1302900000e-01 -3.6825600000e-01 -1.7140880000e+00 -8.8059100000e-01  1.0945370000e+00 -1.4332700000e+00 -6.0989800000e-01
-ENERGY -1.526608664399e+02
-FORCES -1.6815000000e-03 -1.1419200000e-02 -1.7042000000e-03  2.5402000000e-03 -1.9350000000e-04  2.6010000000e-04  2.9750000000e-04  1.0062200000e-02  1.6083000000e-03  6.2840000000e-04 -8.4470000000e-04 -5.1219000000e-03  3.1057000000e-03  1.6958000000e-03  3.0503000000e-03 -4.8903000000e-03  6.9940000000e-04  1.9073000000e-03
-
-JOB 28
-COORDS -8.3030700000e-01  1.2367740000e+00 -9.5380000000e-02 -1.4891510000e+00  9.5361000000e-01 -7.2939400000e-01 -2.0862400000e-01  5.1008700000e-01 -5.4536000000e-02  8.3909500000e-01 -1.1074270000e+00  1.4449800000e-01  1.2842750000e+00 -1.6593930000e+00 -4.9844900000e-01  2.3911100000e-01 -1.7010670000e+00  5.9598800000e-01
-ENERGY -1.526610669625e+02
-FORCES  5.4673000000e-03 -8.7299000000e-03 -2.0314000000e-03  1.8789000000e-03  3.4070000000e-04  2.0732000000e-03 -7.2749000000e-03  7.2160000000e-03  7.7850000000e-04  1.1170000000e-04 -3.7142000000e-03 -9.1480000000e-04 -2.7942000000e-03  1.5552000000e-03  3.6144000000e-03  2.6111000000e-03  3.3323000000e-03 -3.5199000000e-03
-
-JOB 29
-COORDS  9.9885700000e-01  9.6401000000e-01 -5.5394700000e-01  1.5638060000e+00  1.2250560000e+00  1.7332200000e-01  2.8197600000e-01  4.8314500000e-01 -1.4032600000e-01 -9.7933000000e-01 -9.1908300000e-01  5.4847400000e-01 -6.6970600000e-01 -1.7825500000e+00  2.7499900000e-01 -1.4539610000e+00 -5.8251600000e-01 -2.1157800000e-01
-ENERGY -1.526596216605e+02
-FORCES -3.8385000000e-03 -5.1556000000e-03  8.2296000000e-03 -1.4993000000e-03 -9.1490000000e-04 -2.4609000000e-03  1.9213000000e-03  6.1540000000e-03 -7.4797000000e-03 -1.1180000000e-03 -5.3334000000e-03 -3.8192000000e-03 -2.0484000000e-03  4.4488000000e-03  1.3600000000e-03  6.5830000000e-03  8.0110000000e-04  4.1703000000e-03
-
-JOB 30
-COORDS -7.3759500000e-01  1.1206440000e+00 -6.5480100000e-01 -6.5680500000e-01  1.8845560000e+00 -8.3711000000e-02 -3.2249300000e-01  4.1030100000e-01 -1.6558200000e-01  7.1894300000e-01 -1.0541300000e+00  5.9200900000e-01  6.7346000000e-02 -1.5163840000e+00  1.1192420000e+00  1.1584290000e+00 -1.7438940000e+00  9.4706000000e-02
-ENERGY -1.526613834524e+02
-FORCES  6.7087000000e-03 -5.3106000000e-03  5.4422000000e-03 -2.5930000000e-04 -2.8277000000e-03 -1.2365000000e-03 -7.6916000000e-03  7.1870000000e-03 -2.4650000000e-03  8.8380000000e-04 -4.7466000000e-03 -1.8101000000e-03  2.7047000000e-03  3.4027000000e-03 -3.5380000000e-03 -2.3463000000e-03  2.2953000000e-03  3.6074000000e-03
-
-JOB 31
-COORDS -1.1816610000e+00 -6.2545800000e-01  5.2973400000e-01 -8.5646400000e-01 -1.4234090000e+00  9.4657100000e-01 -1.3333270000e+00 -2.0201000000e-02  1.2556080000e+00  1.1678610000e+00  7.1654000000e-01 -5.8661800000e-01  4.8139000000e-01  8.2539000000e-02 -3.7917400000e-01  1.9115110000e+00  1.8236500000e-01 -8.6567700000e-01
-ENERGY -1.526607200223e+02
-FORCES -1.4768000000e-03  8.5810000000e-04  6.3446000000e-03  9.2200000000e-05  4.6176000000e-03 -2.9814000000e-03  7.8090000000e-04 -3.9599000000e-03 -3.4732000000e-03 -6.3227000000e-03 -5.8249000000e-03  1.2767000000e-03  1.0228600000e-02  3.6761000000e-03 -2.8162000000e-03 -3.3022000000e-03  6.3290000000e-04  1.6495000000e-03
-
-JOB 32
-COORDS  1.2346740000e+00 -7.4007300000e-01  2.8120000000e-03  8.0539000000e-01 -1.5954090000e+00  2.1492000000e-02  1.7052340000e+00 -7.2587600000e-01 -8.3061700000e-01 -1.2340720000e+00  8.3097800000e-01 -1.5030000000e-03 -6.0437200000e-01  1.2040000000e-01  1.2011100000e-01 -1.8907650000e+00  6.8899500000e-01  6.8027900000e-01
-ENERGY -1.526585758118e+02
-FORCES  3.4222000000e-03 -1.6938000000e-03 -5.0777000000e-03 -1.0735000000e-03  6.8179000000e-03  2.2190000000e-04 -1.9055000000e-03 -1.2465000000e-03  4.4128000000e-03  6.7654000000e-03 -3.9049000000e-03  2.4427000000e-03 -1.0390300000e-02  8.4220000000e-04  2.1420000000e-04  3.1817000000e-03 -8.1490000000e-04 -2.2139000000e-03
-
-JOB 33
-COORDS  7.0039700000e-01 -1.6971000000e-01  1.2836860000e+00  2.3772600000e-01 -1.0076630000e+00  1.2851890000e+00  1.5708200000e+00 -3.7677900000e-01  9.4351400000e-01 -7.3412800000e-01  1.6255800000e-01 -1.2902220000e+00 -4.1685500000e-01  4.1049700000e-01 -4.2183500000e-01 -7.3235400000e-01  9.7971000000e-01 -1.7887110000e+00
-ENERGY -1.526610988056e+02
-FORCES  3.3929000000e-03 -6.4567000000e-03 -9.3030000000e-04  1.9277000000e-03  5.2392000000e-03 -6.8630000000e-04 -4.1693000000e-03  1.1813000000e-03  1.8056000000e-03  3.2584000000e-03  3.5589000000e-03  6.0444000000e-03 -5.2346000000e-03 -9.6360000000e-04 -8.6209000000e-03  8.2500000000e-04 -2.5591000000e-03  2.3874000000e-03
-
-JOB 34
-COORDS  3.7661700000e-01  7.5852200000e-01  1.1700610000e+00 -1.4310900000e-01  6.6510100000e-01  1.9684270000e+00  1.3410000000e-01  1.6177950000e+00  8.2500100000e-01 -3.9585300000e-01 -8.0294600000e-01 -1.1969550000e+00  2.4104700000e-01 -2.4323000000e-01 -7.5276200000e-01  1.3506700000e-01 -1.4583570000e+00 -1.6494940000e+00
-ENERGY -1.526584157021e+02
-FORCES -5.8875000000e-03  3.9480000000e-04  3.2993000000e-03  2.7761000000e-03  1.9880000000e-03 -2.5653000000e-03  1.5585000000e-03 -4.9700000000e-03  1.1790000000e-04  4.9249000000e-03  1.6223000000e-03  5.2952000000e-03 -1.9291000000e-03 -1.5490000000e-03 -8.5166000000e-03 -1.4429000000e-03  2.5139000000e-03  2.3695000000e-03
-
-JOB 35
-COORDS -3.0897900000e-01  1.3317800000e+00 -4.0947600000e-01  6.6786000000e-02  1.9459340000e+00 -1.0402270000e+00 -3.8000200000e-01  1.8345510000e+00  4.0194800000e-01  3.3251900000e-01 -1.4389760000e+00  3.6154200000e-01 -4.8478000000e-02 -6.1625600000e-01  5.4611000000e-02  3.0783000000e-02 -1.5203920000e+00  1.2662840000e+00
-ENERGY -1.526603041721e+02
-FORCES  3.1684000000e-03  3.8223000000e-03 -5.2600000000e-04 -2.1880000000e-03 -1.3555000000e-03  3.7039000000e-03  2.8120000000e-04 -2.8156000000e-03 -3.6827000000e-03 -3.1207000000e-03  8.1425000000e-03 -9.7670000000e-04  9.2430000000e-04 -9.0021000000e-03  4.1931000000e-03  9.3490000000e-04  1.2083000000e-03 -2.7116000000e-03
-
-JOB 36
-COORDS -1.1317900000e+00  1.2475700000e-01 -9.3372700000e-01 -4.5320200000e-01  2.9086300000e-01 -1.5880660000e+00 -1.7812540000e+00  8.1216800000e-01 -1.0816920000e+00  1.1874070000e+00 -1.3819900000e-01  9.9871600000e-01  4.7393200000e-01  1.0423200000e-01  4.0845200000e-01  9.7456800000e-01 -1.0281490000e+00  1.2796420000e+00
-ENERGY -1.526603219209e+02
-FORCES -2.8663000000e-03  3.3335000000e-03 -4.5243000000e-03 -2.3599000000e-03 -3.5270000000e-04  6.1964000000e-03  3.3366000000e-03 -3.3867000000e-03 -1.5420000000e-04 -8.7762000000e-03 -2.3243000000e-03 -2.6149000000e-03  9.1671000000e-03  4.9700000000e-05  1.6723000000e-03  1.4987000000e-03  2.6806000000e-03 -5.7540000000e-04
-
-JOB 37
-COORDS -1.5082200000e-01  1.3271720000e+00  8.1889700000e-01  1.4762100000e-01  1.6795850000e+00 -1.9535000000e-02 -2.1998000000e-01  3.8387800000e-01  6.7177200000e-01  1.3912600000e-01 -1.2300140000e+00 -7.8349900000e-01  8.3523700000e-01 -1.7683510000e+00 -4.0686400000e-01 -6.2968700000e-01 -1.8002280000e+00 -7.8749100000e-01
-ENERGY -1.526600771803e+02
-FORCES  1.6274000000e-03 -6.8502000000e-03 -8.2859000000e-03 -7.5980000000e-04  1.0695000000e-03  3.2916000000e-03 -1.3185000000e-03  5.1015000000e-03  6.2145000000e-03  6.1840000000e-04 -5.6079000000e-03 -1.1905000000e-03 -4.1018000000e-03  3.0434000000e-03 -1.1423000000e-03  3.9342000000e-03  3.2437000000e-03  1.1127000000e-03
-
-JOB 38
-COORDS -4.6478700000e-01 -1.5510100000e-01  1.4777280000e+00 -8.6615800000e-01 -1.0240030000e+00  1.4658290000e+00 -1.8143200000e-01 -9.2560000000e-03  5.7513700000e-01  4.3161000000e-01  2.0613700000e-01 -1.3579500000e+00  4.0586700000e-01 -4.7607500000e-01 -2.0288850000e+00  1.1082020000e+00  8.1288300000e-01 -1.6584730000e+00
-ENERGY -1.526612357900e+02
-FORCES  1.4244000000e-03 -1.3900000000e-03 -8.7278000000e-03  1.2227000000e-03  2.4266000000e-03 -1.5390000000e-04 -2.9348000000e-03 -1.0289000000e-03  9.4420000000e-03  2.8354000000e-03 -1.8000000000e-05 -3.5669000000e-03  5.6410000000e-04  3.4087000000e-03  2.6974000000e-03 -3.1118000000e-03 -3.3984000000e-03  3.0930000000e-04
-
-JOB 39
-COORDS -1.9055300000e-01  1.4331030000e+00  1.8033500000e-01  3.1158200000e-01  2.0968610000e+00  6.5311100000e-01 -1.1019430000e+00  1.6110930000e+00  4.1254300000e-01  2.2266600000e-01 -1.5212820000e+00 -1.6319300000e-01  3.4117600000e-01 -5.7192500000e-01 -1.9333700000e-01  1.1287000000e-02 -1.7654760000e+00 -1.0642590000e+00
-ENERGY -1.526611971413e+02
-FORCES -2.8539000000e-03  2.8918000000e-03  3.7437000000e-03 -2.9102000000e-03 -2.6860000000e-03 -1.9515000000e-03  4.4243000000e-03  5.9350000000e-04 -1.0536000000e-03 -6.5400000000e-04  7.7056000000e-03 -2.1026000000e-03  1.6822000000e-03 -9.5808000000e-03 -1.5965000000e-03  3.1160000000e-04  1.0760000000e-03  2.9605000000e-03
-
-JOB 40
-COORDS -5.8255300000e-01  1.3289500000e+00  3.6328100000e-01 -1.0984360000e+00  8.1843600000e-01 -2.6079600000e-01 -1.2062170000e+00  1.9507970000e+00  7.3822200000e-01  6.9143000000e-01 -1.3858270000e+00 -3.6491900000e-01  7.2808600000e-01 -4.7457800000e-01 -6.5563300000e-01 -6.7083000000e-02 -1.4214840000e+00  2.1784900000e-01
-ENERGY -1.526555081230e+02
-FORCES -4.9513000000e-03  2.5148000000e-03 -2.3100000000e-04  4.8247000000e-03  4.1990000000e-04  3.1141000000e-03  2.3865000000e-03 -3.3737000000e-03 -1.6891000000e-03 -1.1724000000e-03  6.3431000000e-03  4.7412000000e-03 -2.2509000000e-03 -4.8531000000e-03 -1.9668000000e-03  1.1634000000e-03 -1.0510000000e-03 -3.9683000000e-03
-
-JOB 41
-COORDS  2.2415000000e-01 -8.8256500000e-01  1.2238550000e+00 -7.3280600000e-01 -8.6291400000e-01  1.2328960000e+00  4.8021600000e-01 -4.8556100000e-01  2.0563500000e+00 -1.7914100000e-01  8.3699600000e-01 -1.3334960000e+00  3.9919300000e-01  5.5075300000e-01 -6.2651200000e-01 -7.6040900000e-01  1.4775610000e+00 -9.2357400000e-01
-ENERGY -1.526583810053e+02
-FORCES -4.5480000000e-03 -1.4306000000e-03  4.1398000000e-03  4.8835000000e-03  9.8670000000e-04  7.9480000000e-04 -1.3957000000e-03 -7.4900000000e-04 -4.7429000000e-03  1.8551000000e-03 -1.2363000000e-03  7.1012000000e-03 -2.2020000000e-03  5.1106000000e-03 -6.1673000000e-03  1.4072000000e-03 -2.6814000000e-03 -1.1256000000e-03
-
-JOB 42
-COORDS  1.2799600000e+00  7.8465800000e-01  5.0224400000e-01  6.7341700000e-01  1.4668120000e+00  2.1414000000e-01  9.7755700000e-01  5.4950600000e-01  1.3794480000e+00 -1.2737260000e+00 -7.8614400000e-01 -5.0319300000e-01 -3.4822700000e-01 -8.8545000000e-01 -2.7998600000e-01 -1.3443250000e+00 -1.1313180000e+00 -1.3931950000e+00
-ENERGY -1.526591244362e+02
-FORCES -4.1483000000e-03  5.0614000000e-03  2.8716000000e-03  3.8523000000e-03 -2.9015000000e-03  1.4511000000e-03  1.1693000000e-03 -4.6860000000e-04 -4.7999000000e-03  5.7971000000e-03 -1.2643000000e-03 -2.3780000000e-03 -7.1953000000e-03 -2.0024000000e-03 -4.3090000000e-04  5.2480000000e-04  1.5754000000e-03  3.2861000000e-03
-
-JOB 43
-COORDS -1.3937640000e+00 -3.8198100000e-01 -7.6445000000e-01 -1.1171570000e+00  2.3812200000e-01 -1.4391290000e+00 -7.0545900000e-01 -3.3736300000e-01 -1.0076600000e-01  1.3253740000e+00  3.8636600000e-01  7.1448500000e-01  8.7450600000e-01  4.0687200000e-01  1.5586000000e+00  1.8450740000e+00 -4.1707700000e-01  7.3945200000e-01
-ENERGY -1.526588710704e+02
-FORCES  8.1542000000e-03  4.6080000000e-03  4.6650000000e-04 -2.3674000000e-03 -2.4050000000e-03  1.2527000000e-03 -7.0918000000e-03 -3.0084000000e-03 -3.7270000000e-04  4.4880000000e-03 -1.5652000000e-03  4.7118000000e-03  3.6350000000e-04 -1.4324000000e-03 -5.9343000000e-03 -3.5464000000e-03  3.8030000000e-03 -1.2400000000e-04
-
-JOB 44
-COORDS -3.1057000000e-01 -1.5835850000e+00  3.1361800000e-01 -6.8829800000e-01 -9.0267300000e-01 -2.4307900000e-01 -4.8358800000e-01 -1.2865500000e+00  1.2069650000e+00  4.1217300000e-01  1.5292770000e+00 -3.4586400000e-01 -3.0206000000e-02  1.6602080000e+00  4.9281900000e-01 -2.9040500000e-01  1.3017200000e+00 -9.5482600000e-01
-ENERGY -1.526509856020e+02
-FORCES  5.7050000000e-04  6.4282000000e-03  1.2144000000e-03 -1.2100000000e-03 -2.1003000000e-03  9.9790000000e-04  5.2400000000e-05 -1.1114000000e-03 -3.3608000000e-03 -3.2222000000e-03  2.4830000000e-04  1.0254000000e-03  1.3603000000e-03 -1.7328000000e-03 -3.7114000000e-03  2.4490000000e-03 -1.7321000000e-03  3.8345000000e-03
-
-JOB 45
-COORDS  6.7276000000e-02  1.6055170000e+00 -7.6209000000e-02  5.5770700000e-01  1.7227560000e+00 -8.8982100000e-01 -8.3619900000e-01  1.4638740000e+00 -3.5887700000e-01 -2.1099000000e-02 -1.5761450000e+00  2.0236400000e-01 -4.8875000000e-01 -1.1476330000e+00 -5.1451200000e-01  6.0020000000e-02 -2.4885310000e+00 -7.5492000000e-02
-ENERGY -1.526516543297e+02
-FORCES -6.1840000000e-04  3.0510000000e-04 -2.9800000000e-03 -2.6137000000e-03 -9.3730000000e-04  3.2150000000e-03  4.1016000000e-03 -1.1722000000e-03  3.9020000000e-04 -1.3106000000e-03 -2.5910000000e-04 -3.7731000000e-03  3.2570000000e-04 -2.3824000000e-03  1.9612000000e-03  1.1540000000e-04  4.4458000000e-03  1.1867000000e-03
-
-JOB 46
-COORDS  9.9506100000e-01 -9.7625400000e-01  7.8960300000e-01  9.7893100000e-01 -1.0113250000e+00  1.7460240000e+00  1.9651900000e-01 -1.4295910000e+00  5.1932900000e-01 -9.5173000000e-01  1.0664570000e+00 -8.4813200000e-01 -1.5509910000e+00  3.3419700000e-01 -9.9274500000e-01 -1.9378800000e-01  6.7427000000e-01 -4.1460500000e-01
-ENERGY -1.526574672110e+02
-FORCES -1.5257000000e-03 -4.2715000000e-03  5.5044000000e-03 -6.6600000000e-05 -3.5400000000e-04 -4.6674000000e-03  2.7838000000e-03  4.7663000000e-03 -9.4300000000e-05  3.3543000000e-03 -4.4262000000e-03  2.1546000000e-03  2.5136000000e-03  1.8333000000e-03  1.2450000000e-03 -7.0594000000e-03  2.4521000000e-03 -4.1423000000e-03
-
-JOB 47
-COORDS -6.0848600000e-01 -3.8288200000e-01  1.5199300000e+00 -1.0514320000e+00 -1.2294220000e+00  1.5782380000e+00 -3.2250800000e-01 -3.2394800000e-01  6.0835200000e-01  6.2799800000e-01  4.4930500000e-01 -1.4104430000e+00  1.1181070000e+00  6.4533600000e-01 -2.2089400000e+00 -4.3914000000e-02 -1.7335800000e-01 -1.6880340000e+00
-ENERGY -1.526557207298e+02
-FORCES  1.6134000000e-03 -1.3452000000e-03 -3.7662000000e-03  1.7005000000e-03  3.3542000000e-03 -1.0344000000e-03 -5.0561000000e-03 -3.3926000000e-03  3.9173000000e-03  1.5194000000e-03  3.5230000000e-04 -6.7672000000e-03 -2.6766000000e-03 -1.0151000000e-03  2.9298000000e-03  2.8993000000e-03  2.0464000000e-03  4.7208000000e-03
-
-JOB 48
-COORDS -7.8658300000e-01  9.6235100000e-01  1.1490260000e+00 -2.8874100000e-01  2.8900600000e-01  6.8535400000e-01 -1.6794600000e+00  6.1917600000e-01  1.1841350000e+00  7.7636400000e-01 -9.3864600000e-01 -1.0741570000e+00  1.4814330000e+00 -2.9474000000e-01 -1.0071090000e+00  6.6395900000e-01 -1.0743510000e+00 -2.0149970000e+00
-ENERGY -1.526591708569e+02
-FORCES -1.2620000000e-03 -6.2234000000e-03 -3.7406000000e-03 -1.1737000000e-03  5.8990000000e-03  5.3015000000e-03  2.7412000000e-03  1.6439000000e-03  2.1680000000e-04  2.7995000000e-03  1.0829000000e-03 -6.4548000000e-03 -4.4275000000e-03 -2.7845000000e-03  7.8000000000e-04  1.3225000000e-03  3.8220000000e-04  3.8970000000e-03
-
-JOB 49
-COORDS -8.2979000000e-01  1.3295330000e+00  4.6684300000e-01 -1.7256640000e+00  1.3446410000e+00  8.0361100000e-01 -9.2469200000e-01  1.4760450000e+00 -4.7430500000e-01  8.3119200000e-01 -1.3623890000e+00 -4.6357600000e-01  9.1523700000e-01 -8.3950100000e-01  3.3376700000e-01  1.7330620000e+00 -1.5262890000e+00 -7.3925600000e-01
-ENERGY -1.526575543713e+02
-FORCES -4.7456000000e-03  1.5210000000e-04 -3.9379000000e-03  3.6089000000e-03  1.2120000000e-04 -1.3912000000e-03 -8.2000000000e-05  8.6840000000e-04  4.4147000000e-03  2.6503000000e-03  2.6843000000e-03  3.6983000000e-03  2.1660000000e-03 -4.9165000000e-03 -3.7193000000e-03 -3.5976000000e-03  1.0905000000e-03  9.3540000000e-04
-
-JOB 50
-COORDS  6.9656400000e-01 -1.1687850000e+00 -9.1912700000e-01  3.1463100000e-01 -1.8629230000e+00 -1.4562790000e+00  1.1959570000e+00 -1.6326810000e+00 -2.4708600000e-01 -6.9117000000e-01  1.2697410000e+00  8.5577400000e-01 -6.1937700000e-01  3.3228100000e-01  1.0353490000e+00 -1.0134650000e+00  1.6469050000e+00  1.6743740000e+00
-ENERGY -1.526545722818e+02
-FORCES  1.7991000000e-03 -4.9574000000e-03 -1.9241000000e-03  1.7408000000e-03  3.0484000000e-03  2.6197000000e-03 -3.4438000000e-03  2.5188000000e-03 -1.9341000000e-03 -4.2340000000e-04 -3.6060000000e-03  2.1180000000e-03 -1.2084000000e-03  4.8034000000e-03  2.5950000000e-03  1.5358000000e-03 -1.8071000000e-03 -3.4745000000e-03
-
-JOB 51
-COORDS  1.6086800000e+00 -4.7271700000e-01 -3.5415300000e-01  1.9943670000e+00 -6.2615400000e-01 -1.2166700000e+00  8.3784800000e-01 -1.0397640000e+00 -3.3163600000e-01 -1.5737950000e+00  4.6231600000e-01  3.6097800000e-01 -2.4312170000e+00  8.2384100000e-01  5.8538500000e-01 -9.5154800000e-01  9.9578000000e-01  8.5540400000e-01
-ENERGY -1.526575446968e+02
-FORCES -2.9671000000e-03 -3.0429000000e-03 -4.0444000000e-03 -1.2782000000e-03  3.7080000000e-04  3.3132000000e-03  5.4772000000e-03  1.6014000000e-03  6.1400000000e-05 -5.6420000000e-04  4.6255000000e-03  2.9394000000e-03  3.6429000000e-03 -1.1267000000e-03 -9.0860000000e-04 -4.3107000000e-03 -2.4281000000e-03 -1.3610000000e-03
-
-JOB 52
-COORDS  6.1010600000e-01  1.1628190000e+00  1.1368970000e+00  2.6001600000e-01  7.0968400000e-01  3.6986500000e-01  5.0549400000e-01  2.0925870000e+00  9.3485700000e-01 -5.7550600000e-01 -1.2455330000e+00 -1.0536240000e+00 -1.1178240000e+00 -5.1846200000e-01 -7.4786300000e-01 -2.5213500000e-01 -9.6082300000e-01 -1.9083770000e+00
-ENERGY -1.526538437632e+02
-FORCES -2.9770000000e-04  3.5040000000e-04 -3.7777000000e-03 -1.6866000000e-03  4.7926000000e-03  3.0835000000e-03  3.5800000000e-05 -4.2941000000e-03  3.2470000000e-04 -2.8736000000e-03  9.6630000000e-04 -4.1873000000e-03  6.1945000000e-03 -1.1833000000e-03 -1.8540000000e-04 -1.3723000000e-03 -6.3200000000e-04  4.7423000000e-03
-
-JOB 53
-COORDS -7.3758000000e-02  1.2819270000e+00  1.0597830000e+00 -9.9966000000e-02  1.4431520000e+00  2.0029430000e+00 -7.7736000000e-01  1.8246280000e+00  7.0390200000e-01  1.2115200000e-01 -1.3561730000e+00 -1.0426590000e+00  8.3000800000e-01 -1.2513680000e+00 -1.6773010000e+00 -6.0936600000e-01 -8.6234000000e-01 -1.4150890000e+00
-ENERGY -1.526520689798e+02
-FORCES -2.7497000000e-03  1.9731000000e-03  3.0624000000e-03  2.5090000000e-04 -5.8220000000e-04 -4.0794000000e-03  2.8785000000e-03 -2.7171000000e-03  6.0260000000e-04  2.5010000000e-04  4.5978000000e-03 -2.3371000000e-03 -2.8418000000e-03 -8.1810000000e-04  2.2479000000e-03  2.2121000000e-03 -2.4535000000e-03  5.0370000000e-04
-
-JOB 54
-COORDS  1.1451080000e+00 -1.1185670000e+00  7.6525000000e-01  8.1130400000e-01 -1.3278440000e+00 -1.0710800000e-01  3.6124000000e-01 -1.0317690000e+00  1.3076980000e+00 -1.0934800000e+00  1.1453390000e+00 -6.8541800000e-01 -1.6823410000e+00  8.7481700000e-01 -1.3898980000e+00 -2.1690100000e-01  1.0663380000e+00 -1.0617170000e+00
-ENERGY -1.526557059616e+02
-FORCES -6.5757000000e-03  5.5600000000e-05 -4.1990000000e-04  2.4344000000e-03  1.2681000000e-03  2.2273000000e-03  4.2416000000e-03 -1.6944000000e-03 -1.3755000000e-03  1.7186000000e-03  7.9010000000e-04 -4.5052000000e-03  2.9132000000e-03  3.3380000000e-04  3.2902000000e-03 -4.7321000000e-03 -7.5320000000e-04  7.8310000000e-04
-
-JOB 55
-COORDS  3.9445000000e-01 -9.3917400000e-01 -1.3723120000e+00  5.3444000000e-02 -1.4480880000e+00 -6.3681700000e-01  8.9372300000e-01 -1.5706980000e+00 -1.8901300000e+00 -3.7110800000e-01  9.4874500000e-01  1.3922190000e+00 -1.1365340000e+00  1.4360140000e+00  1.6970550000e+00 -1.2807900000e-01  1.3736680000e+00  5.6965600000e-01
-ENERGY -1.526574967310e+02
-FORCES  5.1910000000e-04 -5.0964000000e-03  1.7971000000e-03  1.7249000000e-03  1.0068000000e-03 -4.8559000000e-03 -2.1016000000e-03  2.3400000000e-03  2.2227000000e-03 -1.3538000000e-03  4.3382000000e-03 -3.0784000000e-03  3.0129000000e-03 -2.0094000000e-03 -1.2761000000e-03 -1.8015000000e-03 -5.7920000000e-04  5.1906000000e-03
-
-JOB 56
-COORDS -6.1051900000e-01  1.5246170000e+00 -8.4832600000e-01  2.1446800000e-01  1.0591920000e+00 -9.8619700000e-01 -1.1257080000e+00  9.4023500000e-01 -2.9216900000e-01  5.4900100000e-01 -1.5129780000e+00  8.1548000000e-01  9.2119600000e-01 -9.5881900000e-01  1.2946900000e-01  9.6221000000e-01 -1.2060140000e+00  1.6224890000e+00
-ENERGY -1.526537336164e+02
-FORCES -1.3870000000e-04 -4.7374000000e-03  1.8919000000e-03 -1.9888000000e-03  6.0600000000e-04  1.3628000000e-03  2.4894000000e-03  3.7765000000e-03 -2.9840000000e-03  4.7472000000e-03  2.1251000000e-03  1.6771000000e-03 -3.0344000000e-03 -4.2010000000e-04  1.9104000000e-03 -2.0747000000e-03 -1.3501000000e-03 -3.8582000000e-03
-
-JOB 57
-COORDS  6.2518800000e-01 -3.9174000000e-02  1.7425630000e+00 -2.4449000000e-02 -6.1496400000e-01  1.3392420000e+00  1.3678140000e+00 -6.1203600000e-01  1.9337920000e+00 -5.7871900000e-01  8.1961000000e-02 -1.7704660000e+00 -9.8167400000e-01  9.4999000000e-01 -1.7901080000e+00 -1.0263810000e+00 -3.7437100000e-01 -1.0580110000e+00
-ENERGY -1.526526971212e+02
-FORCES  1.7841000000e-03 -4.8617000000e-03 -1.6867000000e-03  9.6590000000e-04  2.4880000000e-03  1.0129000000e-03 -3.2436000000e-03  2.3926000000e-03 -3.4640000000e-04 -2.9764000000e-03  3.2436000000e-03  3.1646000000e-03  1.2760000000e-03 -3.9156000000e-03 -4.9560000000e-04  2.1939000000e-03  6.5320000000e-04 -1.6489000000e-03
-
-JOB 58
-COORDS -3.4557300000e-01 -1.9810600000e-01 -1.8699980000e+00 -1.1570650000e+00  2.9393100000e-01 -1.7450540000e+00 -5.6933700000e-01 -1.0960970000e+00 -1.6255110000e+00  3.7438900000e-01  1.6469800000e-01  1.8406820000e+00  4.7762900000e-01  7.1089900000e-01  2.6199360000e+00  8.2908500000e-01  6.4518800000e-01  1.1488630000e+00
-ENERGY -1.526563670785e+02
-FORCES -4.9934000000e-03 -2.6069000000e-03  1.8490000000e-03  3.5115000000e-03 -1.6146000000e-03 -8.9350000000e-04  8.9540000000e-04  3.6862000000e-03 -1.8889000000e-03  2.8714000000e-03  4.0395000000e-03 -5.0700000000e-04 -5.4260000000e-04 -2.0642000000e-03 -3.2511000000e-03 -1.7422000000e-03 -1.4399000000e-03  4.6915000000e-03
-
-JOB 59
-COORDS  2.3200200000e-01  1.0660160000e+00 -1.5137140000e+00  6.4267300000e-01  1.7464420000e+00 -9.8023400000e-01  2.5791600000e-01  1.4121660000e+00 -2.4057570000e+00 -2.3784200000e-01 -1.1087130000e+00  1.5992080000e+00 -8.4647300000e-01 -1.8009320000e+00  1.3410750000e+00  4.4761000000e-02 -7.1714300000e-01  7.7274600000e-01
-ENERGY -1.526573525587e+02
-FORCES  1.5574000000e-03  5.2261000000e-03 -3.1083000000e-03 -1.6705000000e-03 -3.5737000000e-03 -2.1473000000e-03  4.1000000000e-06 -9.6110000000e-04  3.7992000000e-03 -1.5749000000e-03 -7.7440000000e-04 -5.8801000000e-03  2.2425000000e-03  2.2434000000e-03  1.4342000000e-03 -5.5860000000e-04 -2.1603000000e-03  5.9024000000e-03
-
-JOB 60
-COORDS -1.9152760000e+00  4.6472000000e-01  2.5515400000e-01 -1.9651440000e+00 -3.9744800000e-01  6.6796300000e-01 -2.7675050000e+00  8.6404300000e-01  4.2973500000e-01  1.9194800000e+00 -4.2914100000e-01 -2.5205500000e-01  2.8461610000e+00 -3.0860700000e-01 -4.4775000000e-02  1.9155160000e+00 -7.5967800000e-01 -1.1503650000e+00
-ENERGY -1.526534348405e+02
-FORCES -2.7655000000e-03 -2.2621000000e-03  2.8725000000e-03 -7.3620000000e-04  3.5013000000e-03 -1.8668000000e-03  3.5952000000e-03 -1.4955000000e-03 -7.9970000000e-04  3.3987000000e-03 -1.1930000000e-04 -3.2751000000e-03 -3.8338000000e-03 -5.4040000000e-04 -7.5490000000e-04  3.4170000000e-04  9.1590000000e-04  3.8240000000e-03
-
-JOB 61
-COORDS -1.4020880000e+00  9.7150100000e-01 -1.1093270000e+00 -9.1913300000e-01  1.4740700000e-01 -1.0472440000e+00 -2.1225910000e+00  7.8271200000e-01 -1.7105480000e+00  1.3610940000e+00 -9.1053100000e-01  1.0997330000e+00  1.4241440000e+00 -7.0304100000e-01  2.0320440000e+00  2.2254480000e+00 -1.2522570000e+00  8.7093800000e-01
-ENERGY -1.526558991239e+02
-FORCES  8.7300000000e-05 -4.6760000000e-03 -1.2220000000e-03 -3.5207000000e-03  3.8722000000e-03 -2.0531000000e-03  2.8144000000e-03  7.5030000000e-04  2.3274000000e-03  4.1369000000e-03  8.9400000000e-05  3.8663000000e-03  1.6600000000e-04 -1.3129000000e-03 -3.7775000000e-03 -3.6839000000e-03  1.2770000000e-03  8.5890000000e-04
-
-JOB 62
-COORDS -7.3251000000e-02  1.2219360000e+00 -1.6961290000e+00  3.2791400000e-01  1.2227640000e+00 -8.2705000000e-01 -1.0107990000e+00  1.1279650000e+00 -1.5275890000e+00  6.5328000000e-02 -1.1655370000e+00  1.6588740000e+00  2.0967100000e-01 -2.0190250000e+00  2.0674760000e+00  6.0157100000e-01 -1.1851730000e+00  8.6622700000e-01
-ENERGY -1.526554389637e+02
-FORCES -3.1431000000e-03  6.7170000000e-04  4.6120000000e-03 -7.5840000000e-04 -1.1096000000e-03 -4.1608000000e-03  4.0040000000e-03  4.1790000000e-04 -1.2856000000e-03  2.8616000000e-03 -4.8589000000e-03 -1.0373000000e-03 -5.7540000000e-04  3.5113000000e-03 -1.7226000000e-03 -2.3888000000e-03  1.3676000000e-03  3.5944000000e-03
-
-JOB 63
-COORDS  5.9729100000e-01  6.8279000000e-01  1.9408230000e+00 -1.5358900000e-01  8.9633600000e-01  1.3869190000e+00  1.0342470000e+00 -3.7037000000e-02  1.4856860000e+00 -5.8884400000e-01 -7.1682900000e-01 -1.8841080000e+00 -1.5251700000e-01 -1.9542000000e-01 -2.5578910000e+00 -8.8257200000e-01 -7.5489000000e-02 -1.2370840000e+00
-ENERGY -1.526536145620e+02
-FORCES -8.6330000000e-04 -2.8476000000e-03 -3.5381000000e-03  2.7509000000e-03 -7.2040000000e-04  1.1730000000e-03 -1.9809000000e-03  3.7524000000e-03  2.1654000000e-03  1.1400000000e-05  4.7860000000e-03 -1.6980000000e-03 -1.8888000000e-03 -2.3254000000e-03  3.1476000000e-03  1.9707000000e-03 -2.6449000000e-03 -1.2499000000e-03
-
-JOB 64
-COORDS  2.8810700000e-01  7.6132500000e-01  1.8989610000e+00  1.1676350000e+00  1.0703800000e+00  1.6818270000e+00  3.5220100000e-01  4.7598600000e-01  2.8103910000e+00 -3.2596100000e-01 -7.4571400000e-01 -1.9969780000e+00 -2.9927800000e-01 -1.5984280000e+00 -1.5629280000e+00 -6.1909800000e-01 -1.3929700000e-01 -1.3168600000e+00
-ENERGY -1.526563516565e+02
-FORCES  4.2208000000e-03  5.5370000000e-04  3.7863000000e-03 -3.9008000000e-03 -1.4158000000e-03  9.4490000000e-04 -1.0330000000e-04  1.1590000000e-03 -3.8070000000e-03 -1.3505000000e-03 -6.5770000000e-04  5.6625000000e-03  8.6000000000e-06  2.8756000000e-03 -2.2492000000e-03  1.1252000000e-03 -2.5149000000e-03 -4.3375000000e-03
-
-JOB 65
-COORDS -4.6826400000e-01  1.8451290000e+00 -1.0287150000e+00  3.2202000000e-01  2.0853210000e+00 -5.4499100000e-01 -2.4187100000e-01  1.9930430000e+00 -1.9469200000e+00  3.7393300000e-01 -1.8125800000e+00  1.0631440000e+00  3.6533700000e-01 -2.3606460000e+00  2.7842600000e-01  9.8861500000e-01 -2.2483400000e+00  1.6534930000e+00
-ENERGY -1.526536466471e+02
-FORCES  4.4074000000e-03  1.0777000000e-03 -8.5860000000e-04 -3.1751000000e-03 -1.8990000000e-04 -2.4734000000e-03 -9.8590000000e-04 -7.7720000000e-04  3.5982000000e-03  1.7938000000e-03 -4.1116000000e-03 -1.2484000000e-03  3.8830000000e-04  1.9283000000e-03  3.4074000000e-03 -2.4284000000e-03  2.0727000000e-03 -2.4252000000e-03
-
-JOB 66
-COORDS  1.2214520000e+00 -1.6812130000e+00 -1.0154710000e+00  1.0203400000e+00 -1.5798640000e+00 -8.5140000000e-02  3.8032100000e-01 -1.5638370000e+00 -1.4570060000e+00 -1.1641990000e+00  1.6918740000e+00  9.2438700000e-01 -6.0207000000e-01  9.8823300000e-01  1.2486290000e+00 -1.6647360000e+00  1.9716460000e+00  1.6908220000e+00
-ENERGY -1.526536169749e+02
-FORCES -4.4278000000e-03  9.1690000000e-04  1.2524000000e-03  7.0380000000e-04  1.0700000000e-04 -3.2307000000e-03  3.7289000000e-03 -8.6660000000e-04  2.0889000000e-03  3.0890000000e-04 -8.1410000000e-04  4.8653000000e-03 -2.4527000000e-03  1.9407000000e-03 -1.6976000000e-03  2.1388000000e-03 -1.2840000000e-03 -3.2784000000e-03
-
-JOB 67
-COORDS -3.4777300000e-01  2.1954450000e+00 -6.2217200000e-01  2.3070500000e-01  1.5106610000e+00 -9.5783000000e-01 -1.0119800000e+00  2.3034770000e+00 -1.3029000000e+00  3.9784000000e-01 -2.1389310000e+00  7.0799600000e-01 -5.2552300000e-01 -2.0241740000e+00  9.3263500000e-01  3.8893600000e-01 -2.7128390000e+00 -5.8022000000e-02
-ENERGY -1.526545914186e+02
-FORCES  3.6150000000e-04 -2.5720000000e-03 -3.8424000000e-03 -2.8231000000e-03  3.4251000000e-03  7.1820000000e-04  2.5303000000e-03 -6.0300000000e-04  2.8037000000e-03 -4.0895000000e-03 -2.2296000000e-03 -1.2742000000e-03  3.9307000000e-03 -7.9360000000e-04 -1.2793000000e-03  9.0200000000e-05  2.7731000000e-03  2.8739000000e-03
-
-JOB 68
-COORDS  2.9326900000e-01 -1.6217930000e+00 -1.8021100000e+00  1.0501210000e+00 -1.3928870000e+00 -1.2626580000e+00 -4.2113300000e-01 -1.0900210000e+00 -1.4512830000e+00 -2.8316100000e-01  1.5248560000e+00  1.7057430000e+00 -7.4328200000e-01  2.3373960000e+00  1.4952650000e+00 -6.6054000000e-02  1.6056640000e+00  2.6344870000e+00
-ENERGY -1.526556602798e+02
-FORCES  9.3600000000e-05  3.6501000000e-03  4.4864000000e-03 -2.5763000000e-03 -1.4370000000e-03 -2.6594000000e-03  2.5174000000e-03 -2.5234000000e-03 -2.2859000000e-03 -1.0153000000e-03  4.0181000000e-03  3.5423000000e-03  1.8742000000e-03 -3.4835000000e-03  7.9590000000e-04 -8.9360000000e-04 -2.2430000000e-04 -3.8793000000e-03
-
-JOB 69
-COORDS -5.1012300000e-01 -2.4211840000e+00 -2.5671400000e-01  3.9148500000e-01 -2.2668740000e+00  2.5287000000e-02 -9.2655100000e-01 -1.5605350000e+00 -2.1085400000e-01  4.3967500000e-01  2.3033540000e+00  2.3459500000e-01  1.3722990000e+00  2.3428400000e+00  2.2735000000e-02  2.1282300000e-01  3.1983570000e+00  4.8706200000e-01
-ENERGY -1.526554081871e+02
-FORCES  1.8598000000e-03  4.9822000000e-03  1.4806000000e-03 -3.2753000000e-03 -1.1055000000e-03 -1.2039000000e-03  1.3704000000e-03 -4.3544000000e-03 -3.3660000000e-04  2.8318000000e-03  4.5888000000e-03  1.6780000000e-04 -3.8610000000e-03 -4.3720000000e-04  9.6120000000e-04  1.0743000000e-03 -3.6739000000e-03 -1.0691000000e-03
-
-JOB 70
-COORDS  7.8025200000e-01  6.6326000000e-01 -2.3116540000e+00  9.0182700000e-01  1.6127070000e+00 -2.3102590000e+00  6.4646000000e-01  4.3979800000e-01 -3.2327380000e+00 -7.8261600000e-01 -6.8573600000e-01  2.2955980000e+00 -1.4843000000e-02 -1.0268600000e+00  2.7542800000e+00 -1.4607920000e+00 -6.3316300000e-01  2.9690550000e+00
-ENERGY -1.526533037728e+02
-FORCES -4.4630000000e-04  2.9933000000e-03 -3.3582000000e-03 -3.1210000000e-04 -3.8435000000e-03 -1.9540000000e-04  6.2240000000e-04  8.7500000000e-04  3.7198000000e-03  6.8210000000e-04 -1.2770000000e-03  4.2626000000e-03 -3.2523000000e-03  1.4021000000e-03 -1.6306000000e-03  2.7063000000e-03 -1.4990000000e-04 -2.7982000000e-03
-
-JOB 71
-COORDS -1.3342370000e+00 -1.0701890000e+00  1.9200260000e+00 -1.7002540000e+00 -8.4341000000e-01  1.0651370000e+00 -2.0986030000e+00 -1.2296310000e+00  2.4736990000e+00  1.3687440000e+00  1.1166790000e+00 -1.9207960000e+00  2.3195460000e+00  1.0980930000e+00 -1.8118800000e+00  1.0813320000e+00  2.3855600000e-01 -1.6707430000e+00
-ENERGY -1.526543663420e+02
-FORCES -4.9450000000e-03  6.4200000000e-04 -8.8430000000e-04  1.8575000000e-03 -1.3039000000e-03  3.2500000000e-03  3.1249000000e-03  5.8890000000e-04 -2.2753000000e-03  3.0985000000e-03 -3.6667000000e-03  1.9115000000e-03 -3.8274000000e-03  1.2590000000e-04 -6.7760000000e-04  6.9150000000e-04  3.6138000000e-03 -1.3243000000e-03
-
-JOB 72
-COORDS -8.0998600000e-01 -1.6548960000e+00  1.8898300000e+00 -6.6177500000e-01 -2.5946760000e+00  1.7845730000e+00 -1.7362570000e+00 -1.5331960000e+00  1.6814020000e+00  8.7848000000e-01  1.6705740000e+00 -1.8145970000e+00  3.5884900000e-01  1.2501490000e+00 -2.4997680000e+00  9.5295400000e-01  2.5826110000e+00 -2.0954420000e+00
-ENERGY -1.526533498810e+02
-FORCES -2.9504000000e-03 -3.0379000000e-03 -1.4869000000e-03 -6.6140000000e-04  3.7868000000e-03  4.5630000000e-04  3.6627000000e-03 -6.2460000000e-04  8.9650000000e-04 -1.8207000000e-03  1.8635000000e-03 -3.6865000000e-03  2.0771000000e-03  1.7463000000e-03  2.6769000000e-03 -3.0740000000e-04 -3.7341000000e-03  1.1437000000e-03
-
-JOB 73
-COORDS  3.7895100000e-01  2.7304900000e+00  1.3294600000e-01  1.6319200000e-01  2.8732890000e+00 -7.8862200000e-01  8.9868900000e-01  1.9266890000e+00  1.3598000000e-01 -3.8538500000e-01 -2.6316040000e+00 -1.1657600000e-01 -1.1794550000e+00 -2.8819290000e+00  3.5567600000e-01  2.2502800000e-01 -3.3517360000e+00  4.1660000000e-02
-ENERGY -1.526548309395e+02
-FORCES  1.0280000000e-03 -3.3736000000e-03 -3.8111000000e-03  8.9700000000e-04 -2.4150000000e-04  3.6660000000e-03 -1.7531000000e-03  3.8374000000e-03  1.0190000000e-04 -1.0931000000e-03 -4.1591000000e-03  2.7112000000e-03  3.3398000000e-03  8.9310000000e-04 -1.9974000000e-03 -2.4187000000e-03  3.0438000000e-03 -6.7060000000e-04
-
-JOB 74
-COORDS -6.2672600000e-01  2.6201280000e+00 -2.7083800000e-01 -1.5420520000e+00  2.4317720000e+00 -4.7803600000e-01 -4.5391200000e-01  3.4624750000e+00 -6.9133600000e-01  6.5093900000e-01 -2.7226580000e+00  3.2917900000e-01  5.4381700000e-01 -1.9046810000e+00  8.1463900000e-01  1.0908080000e+00 -2.4650560000e+00 -4.8099800000e-01
-ENERGY -1.526549866636e+02
-FORCES -3.2004000000e-03  3.1046000000e-03 -2.5634000000e-03  3.8843000000e-03  6.7580000000e-04  8.5270000000e-04 -7.3610000000e-04 -3.4933000000e-03  1.6827000000e-03  1.4280000000e-03  4.8829000000e-03 -1.2717000000e-03  3.6090000000e-04 -3.8036000000e-03 -1.8290000000e-03 -1.7367000000e-03 -1.3664000000e-03  3.1287000000e-03
-
-JOB 75
-COORDS  4.2795000000e-01 -1.4748230000e+00  2.3718220000e+00  7.6480100000e-01 -7.8588600000e-01  1.7989960000e+00 -4.6605800000e-01 -1.6261650000e+00  2.0651020000e+00 -3.8097900000e-01  1.4409360000e+00 -2.3840710000e+00 -1.0173700000e+00  9.0713700000e-01 -1.9083630000e+00 -8.6277000000e-02  2.0896010000e+00 -1.7448400000e+00
-ENERGY -1.526535393877e+02
-FORCES -1.9683000000e-03  1.8068000000e-03 -3.5297000000e-03 -1.7516000000e-03 -2.5864000000e-03  2.3737000000e-03  3.6162000000e-03  9.1080000000e-04  1.1264000000e-03 -1.6475000000e-03  9.2700000000e-04  3.9595000000e-03  2.9122000000e-03  2.0065000000e-03 -1.5395000000e-03 -1.1611000000e-03 -3.0647000000e-03 -2.3905000000e-03
-
-JOB 76
-COORDS  2.2658700000e-01  2.1360930000e+00 -1.6889930000e+00  8.1237600000e-01  2.4030050000e+00 -2.3974010000e+00 -4.0747000000e-01  2.8498560000e+00 -1.6201010000e+00 -2.8693100000e-01 -2.1948940000e+00  1.6900060000e+00 -6.3119000000e-02 -2.5737240000e+00  2.5400820000e+00  5.1603000000e-01 -1.7608040000e+00  1.4018190000e+00
-ENERGY -1.526542520861e+02
-FORCES -6.1940000000e-04  4.0028000000e-03 -2.6870000000e-03 -2.2879000000e-03 -1.1232000000e-03  2.9692000000e-03  2.7480000000e-03 -2.7970000000e-03 -3.4610000000e-04  4.2459000000e-03  7.1660000000e-04  1.8576000000e-03 -9.4940000000e-04  1.4813000000e-03 -3.3838000000e-03 -3.1371000000e-03 -2.2805000000e-03  1.5902000000e-03
-
-JOB 77
-COORDS -1.8453300000e-01  2.5978570000e+00 -1.1806280000e+00  6.3924900000e-01  3.0692200000e+00 -1.0564030000e+00 -7.3781900000e-01  3.2064900000e+00 -1.6701910000e+00  1.4756600000e-01 -2.7111390000e+00  1.1642390000e+00 -3.9418200000e-01 -2.1017960000e+00  1.6656800000e+00  1.0442440000e+00 -2.4077510000e+00  1.3062130000e+00
-ENERGY -1.526541782199e+02
-FORCES  1.0042000000e-03  4.3920000000e-03 -1.8356000000e-03 -3.3383000000e-03 -1.9876000000e-03 -3.4430000000e-04  2.2971000000e-03 -2.4297000000e-03  2.0748000000e-03  1.2824000000e-03  4.2877000000e-03  2.1973000000e-03  2.2120000000e-03 -2.8044000000e-03 -1.6952000000e-03 -3.4575000000e-03 -1.4581000000e-03 -3.9690000000e-04
-
-JOB 78
-COORDS  4.5651400000e-01 -1.8169070000e+00  2.4740370000e+00 -4.9810300000e-01 -1.8257780000e+00  2.4043380000e+00  7.6380300000e-01 -1.8899200000e+00  1.5704470000e+00 -3.9998300000e-01  1.8729110000e+00 -2.4462520000e+00 -1.2906590000e+00  1.7009620000e+00 -2.1407020000e+00  9.2395000000e-02  1.0885670000e+00 -2.2041770000e+00
-ENERGY -1.526535304777e+02
-FORCES -2.5473000000e-03 -5.2360000000e-04 -3.6336000000e-03  3.9533000000e-03  1.3740000000e-04  6.4500000000e-05 -1.4171000000e-03  4.9660000000e-04  3.4803000000e-03 -1.5949000000e-03 -3.6116000000e-03  2.1683000000e-03  3.7095000000e-03  5.1980000000e-04 -1.2052000000e-03 -2.1035000000e-03  2.9814000000e-03 -8.7430000000e-04
-
-JOB 79
-COORDS -8.2502500000e-01  2.5673530000e+00 -1.5715590000e+00 -1.1184010000e+00  2.0012420000e+00 -2.2854780000e+00 -7.3807600000e-01  3.4325840000e+00 -1.9716180000e+00  8.5379900000e-01 -2.5932040000e+00  1.6997860000e+00  5.2943800000e-01 -1.7831910000e+00  1.3062110000e+00  8.7059300000e-01 -3.2210460000e+00  9.7745400000e-01
-ENERGY -1.526543902567e+02
-FORCES -9.0560000000e-04  1.6619000000e-03 -4.6061000000e-03  1.2917000000e-03  2.0772000000e-03  3.0424000000e-03 -3.8230000000e-04 -3.6038000000e-03  1.5775000000e-03 -1.2594000000e-03  1.1040000000e-03 -4.5048000000e-03  1.3337000000e-03 -3.6864000000e-03  1.6027000000e-03 -7.8000000000e-05  2.4470000000e-03  2.8882000000e-03
-
-JOB 80
-COORDS  1.1607730000e+00  2.4388640000e+00 -2.0301660000e+00  1.2535600000e+00  3.3478460000e+00 -2.3154250000e+00  1.2581250000e+00  1.9246850000e+00 -2.8316490000e+00 -1.1739120000e+00 -2.4157990000e+00  2.1382780000e+00 -4.7756400000e-01 -3.0411600000e+00  1.9376400000e+00 -1.8207060000e+00 -2.5461930000e+00  1.4448180000e+00
-ENERGY -1.526538292814e+02
-FORCES  7.7850000000e-04  1.6982000000e-03 -4.3205000000e-03 -3.7570000000e-04 -3.7340000000e-03  1.1288000000e-03 -4.2080000000e-04  2.0218000000e-03  3.2596000000e-03  3.4560000000e-04 -2.7627000000e-03 -3.8050000000e-03 -2.8814000000e-03  2.4084000000e-03  8.6570000000e-04  2.5538000000e-03  3.6830000000e-04  2.8714000000e-03
-
-JOB 81
-COORDS -1.2264260000e+00  3.2844140000e+00  1.1906330000e+00 -2.1807840000e+00  3.3579920000e+00  1.1949080000e+00 -1.0282450000e+00  2.6908030000e+00  1.9149130000e+00  1.2966630000e+00 -3.3187400000e+00 -1.2264160000e+00  1.5830090000e+00 -2.5541590000e+00 -1.7260690000e+00  5.1694800000e-01 -3.0209400000e+00 -7.5781100000e-01
-ENERGY -1.526541938587e+02
-FORCES -3.1381000000e-03 -1.8293000000e-03  3.1518000000e-03  3.9358000000e-03 -4.0540000000e-04 -6.6600000000e-05 -7.9770000000e-04  2.2780000000e-03 -3.1028000000e-03 -1.9714000000e-03  4.4416000000e-03 -2.3550000000e-04 -1.1630000000e-03 -3.2071000000e-03  2.0574000000e-03  3.1345000000e-03 -1.2778000000e-03 -1.8043000000e-03
-
-JOB 82
-COORDS -1.9084550000e+00  8.3988200000e-01  3.5023070000e+00 -1.4763280000e+00  1.2326400000e-01  3.0375940000e+00 -1.4623330000e+00  1.6289250000e+00  3.1947060000e+00  1.8316820000e+00 -7.8720100000e-01 -3.4501040000e+00  2.5050870000e+00 -9.7611900000e-01 -4.1036070000e+00  1.6948850000e+00 -1.6201510000e+00 -2.9987590000e+00
-ENERGY -1.526542014304e+02
-FORCES  3.5890000000e-03  3.8210000000e-04 -3.2877000000e-03 -1.7640000000e-03  2.8205000000e-03  1.9665000000e-03 -1.8275000000e-03 -3.2215000000e-03  1.3499000000e-03  2.2212000000e-03 -4.2027000000e-03 -1.0363000000e-03 -2.7508000000e-03  7.6520000000e-04  2.7104000000e-03  5.3210000000e-04  3.4564000000e-03 -1.7028000000e-03
-
-JOB 83
-COORDS -3.6246800000e-01  3.8880830000e+00  1.1240300000e+00  3.4937600000e-01  3.3028160000e+00  1.3828210000e+00 -2.8495300000e-01  4.6364940000e+00  1.7157250000e+00  2.9179700000e-01 -3.9540700000e+00 -1.1588940000e+00  8.7647600000e-01 -3.3780300000e+00 -6.6639000000e-01  8.1395000000e-02 -3.4611950000e+00 -1.9520120000e+00
-ENERGY -1.526540670263e+02
-FORCES  3.1415000000e-03  7.9030000000e-04  3.5755000000e-03 -2.8711000000e-03  2.2844000000e-03 -1.1524000000e-03 -2.8780000000e-04 -3.0796000000e-03 -2.4353000000e-03  1.4114000000e-03  4.4101000000e-03 -1.2781000000e-03 -2.3162000000e-03 -2.3504000000e-03 -1.9529000000e-03  9.2230000000e-04 -2.0548000000e-03  3.2431000000e-03
-
-JOB 84
-COORDS -7.2747000000e-02 -4.2475110000e+00 -1.5775190000e+00 -1.8830300000e-01 -4.5563740000e+00 -6.7891800000e-01  1.9394000000e-01 -3.3329300000e+00 -1.4845050000e+00  1.1607400000e-01  4.2373630000e+00  1.5517150000e+00 -9.1408000000e-02  4.2697420000e+00  6.1783400000e-01 -6.1818700000e-01  3.7652990000e+00  1.9444600000e+00
-ENERGY -1.526540515977e+02
-FORCES  7.2590000000e-04  2.3999000000e-03  4.0595000000e-03  4.2470000000e-04  1.2926000000e-03 -3.6757000000e-03 -1.1721000000e-03 -3.6882000000e-03 -3.9210000000e-04 -3.8937000000e-03 -1.6037000000e-03 -2.1926000000e-03  8.7170000000e-04 -2.3010000000e-04  3.8261000000e-03  3.0435000000e-03  1.8294000000e-03 -1.6251000000e-03
-
-JOB 85
-COORDS  1.4678710000e+00 -3.6868050000e+00  2.3781770000e+00  5.4744700000e-01 -3.9071070000e+00  2.5214220000e+00  1.9074560000e+00 -4.5332430000e+00  2.2973120000e+00 -1.4492500000e+00  3.8118210000e+00 -2.3640100000e+00 -1.8349290000e+00  3.3602390000e+00 -3.1147140000e+00 -8.8760600000e-01  3.1554600000e+00 -1.9517270000e+00
-ENERGY -1.526541724017e+02
-FORCES -1.9212000000e-03 -4.4053000000e-03  3.7150000000e-04  3.7460000000e-03  9.3010000000e-04 -6.5020000000e-04 -1.8104000000e-03  3.4661000000e-03  2.9500000000e-04  8.0040000000e-04 -4.5499000000e-03 -1.3217000000e-03  1.5329000000e-03  1.8509000000e-03  3.0361000000e-03 -2.3477000000e-03  2.7081000000e-03 -1.7306000000e-03
-
-JOB 86
-COORDS -4.8476200000e-01  2.7410340000e+00 -3.8186110000e+00 -2.6377800000e-01  2.5563240000e+00 -4.7314520000e+00 -1.4370700000e+00  2.8376740000e+00 -3.8170550000e+00  5.4371500000e-01 -2.7751650000e+00  3.9171780000e+00 -2.8298700000e-01 -2.2977880000e+00  3.8471320000e+00  1.0170650000e+00 -2.5543360000e+00  3.1150520000e+00
-ENERGY -1.526542077293e+02
-FORCES -2.9681000000e-03 -2.6610000000e-04 -3.8124000000e-03 -9.1060000000e-04  7.2560000000e-04  3.7507000000e-03  3.8861000000e-03 -4.4090000000e-04  4.5600000000e-05 -1.4011000000e-03  2.9316000000e-03 -3.6082000000e-03  3.3269000000e-03 -1.9858000000e-03  3.2350000000e-04 -1.9333000000e-03 -9.6440000000e-04  3.3009000000e-03
-
-JOB 87
-COORDS -1.3558350000e+00  1.1663370000e+00  4.8668330000e+00 -1.5857180000e+00  1.5618040000e+00  5.7076610000e+00 -4.7313300000e-01  1.4880660000e+00  4.6836440000e+00  1.2845060000e+00 -1.2611360000e+00 -4.9017860000e+00  9.7122800000e-01 -3.8441400000e-01 -5.1241550000e+00  2.2108860000e+00 -1.1393940000e+00 -4.6938660000e+00
-ENERGY -1.526540045004e+02
-FORCES  2.6530000000e-03  2.8838000000e-03  2.6861000000e-03  9.4310000000e-04 -1.6021000000e-03 -3.4368000000e-03 -3.5942000000e-03 -1.2875000000e-03  7.4080000000e-04  2.4491000000e-03  4.0683000000e-03 -1.4900000000e-05  1.3084000000e-03 -3.5714000000e-03  8.8360000000e-04 -3.7594000000e-03 -4.9110000000e-04 -8.5890000000e-04
-
-JOB 88
-COORDS  3.5521100000e-01  4.6683960000e+00 -2.4916450000e+00 -3.7755400000e-01  4.3240850000e+00 -1.9810220000e+00  3.8887000000e-02  4.6689750000e+00 -3.3950660000e+00 -2.9343100000e-01 -4.5969160000e+00  2.5522980000e+00  4.3437100000e-01 -5.1187120000e+00  2.2142670000e+00 -1.0745790000e+00 -5.0024900000e+00  2.1760680000e+00
-ENERGY -1.526540705101e+02
-FORCES -4.2781000000e-03 -1.4355000000e-03 -1.5369000000e-03  2.9763000000e-03  1.4333000000e-03 -2.1285000000e-03  1.2942000000e-03  2.0000000000e-06  3.6636000000e-03 -1.6460000000e-04 -3.7971000000e-03 -2.8939000000e-03 -2.9943000000e-03  2.1214000000e-03  1.3731000000e-03  3.1665000000e-03  1.6759000000e-03  1.5226000000e-03
-
-JOB 89
-COORDS  2.3223000000e-02 -4.8834680000e+00 -3.7304080000e+00 -8.2330500000e-01 -4.6096660000e+00 -4.0834740000e+00  5.7465700000e-01 -4.1039400000e+00 -3.7973990000e+00 -8.7220000000e-03  4.8158470000e+00  3.6844440000e+00 -6.3458000000e-01  4.5055740000e+00  4.3388630000e+00  6.3994200000e-01  5.3083930000e+00  4.1873010000e+00
-ENERGY -1.526541314927e+02
-FORCES -1.2009000000e-03  4.3428000000e-03 -1.6851000000e-03  3.4430000000e-03 -1.1414000000e-03  1.4260000000e-03 -2.2424000000e-03 -3.2054000000e-03  2.5240000000e-04  9.8300000000e-05  7.4160000000e-04  4.7469000000e-03  2.5480000000e-03  1.2686000000e-03 -2.6805000000e-03 -2.6460000000e-03 -2.0061000000e-03 -2.0598000000e-03
-
-JOB 0
-COORDS -2.1866500000e-01 -1.0325740000e+00  5.4475000000e-01  4.3436200000e-01 -1.4359840000e+00  1.1166300000e+00 -1.0174470000e+00 -1.0092280000e+00  1.0716590000e+00  2.0988200000e-01  1.1080110000e+00 -5.7213600000e-01  6.2563600000e-01  1.1589160000e+00 -1.4328270000e+00  1.1310400000e-01  1.7006100000e-01 -4.0746300000e-01
-ENERGY -1.526539977243e+02
-FORCES  4.0355000000e-03  2.2401200000e-02 -8.0975000000e-03 -4.3745000000e-03  1.5662000000e-03 -1.9550000000e-03  5.0566000000e-03 -1.7703000000e-03 -1.1223000000e-03 -5.0795000000e-03 -2.2109500000e-02  1.2440400000e-02 -8.6240000000e-04 -4.5668000000e-03  3.5994000000e-03  1.2244000000e-03  4.4793000000e-03 -4.8649000000e-03
-
-JOB 1
-COORDS  1.6450700000e-01  1.6624800000e-01  1.2397290000e+00 -2.4029600000e-01  6.2173100000e-01  1.9779030000e+00  5.2823200000e-01 -6.3282900000e-01  1.6210580000e+00 -2.2200600000e-01 -1.6824900000e-01 -1.3295140000e+00  1.4116000000e-02 -8.3332000000e-02 -4.0578900000e-01  5.6319300000e-01  1.0478400000e-01 -1.8040100000e+00
-ENERGY -1.526582570512e+02
-FORCES -4.7018000000e-03  2.7960000000e-04 -8.0316000000e-03  3.4074000000e-03 -3.8187000000e-03 -1.5584000000e-03 -2.1821000000e-03  4.6062000000e-03 -2.7285000000e-03  2.6439000000e-03  4.4778000000e-03  1.6029600000e-02  2.3505000000e-03 -4.8024000000e-03 -6.6944000000e-03 -1.5179000000e-03 -7.4250000000e-04  2.9833000000e-03
-
-JOB 2
-COORDS  3.5758100000e-01  9.3723600000e-01 -9.3002900000e-01  8.9640000000e-03  4.8079000000e-01 -1.6957670000e+00  1.5640000000e-01  3.5933500000e-01 -1.9396600000e-01 -2.9598400000e-01 -8.2185900000e-01  9.0082300000e-01  1.6118200000e-01 -1.6252050000e+00  1.1495530000e+00 -1.2065010000e+00 -9.7610400000e-01  1.1526180000e+00
-ENERGY -1.526585821339e+02
-FORCES -5.1548000000e-03 -1.4170000000e-02  1.1246600000e-02  4.9480000000e-04  8.4080000000e-04  1.9328000000e-03  1.3341000000e-03  5.4298000000e-03 -3.9931000000e-03  2.4657000000e-03  5.6943000000e-03 -7.2252000000e-03 -4.2643000000e-03  3.1757000000e-03 -7.2910000000e-04  5.1245000000e-03 -9.7060000000e-04 -1.2321000000e-03
-
-JOB 3
-COORDS  8.8654400000e-01  7.5579000000e-01  7.0664800000e-01  3.3254300000e-01  1.9447700000e-01  1.6420700000e-01  1.6628540000e+00  2.2536500000e-01  8.8615900000e-01 -8.9097700000e-01 -6.7398000000e-01 -6.1518900000e-01 -6.2926600000e-01 -1.4804130000e+00 -1.0594910000e+00 -1.2485320000e+00 -1.2199000000e-01 -1.3106700000e+00
-ENERGY -1.526586130021e+02
-FORCES -1.1669000000e-02 -1.1792900000e-02 -8.3740000000e-03  7.3923000000e-03  6.3672000000e-03  3.0013000000e-03 -3.0470000000e-03 -6.1400000000e-05 -1.6246000000e-03  4.8077000000e-03  3.9888000000e-03  1.0093000000e-03 -6.6160000000e-04  5.0836000000e-03  2.1795000000e-03  3.1776000000e-03 -3.5853000000e-03  3.8084000000e-03
-
-JOB 4
-COORDS -1.2168300000e-01 -7.5597700000e-01 -1.0823440000e+00  7.3186000000e-01 -1.1800300000e+00 -9.9359700000e-01  1.8300000000e-03 -1.1149400000e-01 -1.7792070000e+00  1.1198200000e-01  7.2716200000e-01  1.1702020000e+00 -5.6596100000e-01  1.4029020000e+00  1.1697730000e+00 -2.6593000000e-02  2.4766900000e-01  3.5343000000e-01
-ENERGY -1.526595771286e+02
-FORCES  4.3125000000e-03  1.7484000000e-03  1.0247000000e-03 -5.0959000000e-03  4.2757000000e-03  4.5480000000e-04 -6.1330000000e-04 -2.3093000000e-03  5.8286000000e-03 -4.8510000000e-03 -8.6115000000e-03 -1.3215500000e-02  1.8605000000e-03 -2.1738000000e-03 -1.7709000000e-03  4.3872000000e-03  7.0705000000e-03  7.6784000000e-03
-
-JOB 5
-COORDS  2.3900600000e-01  5.2776200000e-01 -1.1574390000e+00  8.9377000000e-02 -2.3553000000e-02 -1.9254850000e+00  1.0321750000e+00  1.0209590000e+00 -1.3668960000e+00 -3.3214500000e-01 -5.3660000000e-01  1.2457960000e+00  5.1222700000e-01 -4.9005300000e-01  1.6942390000e+00 -1.3044400000e-01 -3.3263600000e-01  3.3258900000e-01
-ENERGY -1.526586887633e+02
-FORCES  1.5481000000e-03 -7.5190000000e-04  4.0418000000e-03  1.4046000000e-03  2.4782000000e-03  5.1616000000e-03 -3.9707000000e-03 -3.0683000000e-03 -1.4340000000e-04  5.9652000000e-03  7.2404000000e-03 -1.3317800000e-02 -1.8921000000e-03  3.6200000000e-04 -1.5657000000e-03 -3.0552000000e-03 -6.2604000000e-03  5.8235000000e-03
-
-JOB 6
-COORDS  1.0104650000e+00  8.0753100000e-01 -2.8236400000e-01  1.2676400000e+00  5.3812100000e-01 -1.1641300000e+00  7.2878600000e-01  1.7169220000e+00 -3.8185100000e-01 -1.0737640000e+00 -8.1617700000e-01  3.3962700000e-01 -7.8145300000e-01 -1.7187260000e+00  4.6687400000e-01 -2.6858600000e-01 -3.2307000000e-01  1.8225700000e-01
-ENERGY -1.526606403713e+02
-FORCES -5.1684000000e-03  6.1490000000e-04 -2.2040000000e-03 -2.2205000000e-03  8.5880000000e-04  5.0467000000e-03  2.0642000000e-03 -4.8703000000e-03 -5.4340000000e-04  1.2499100000e-02  7.9261000000e-03 -1.6379000000e-03  7.9620000000e-04  3.2892000000e-03 -1.3875000000e-03 -7.9707000000e-03 -7.8187000000e-03  7.2600000000e-04
-
-JOB 7
-COORDS -4.2984800000e-01  5.8002800000e-01 -1.2347640000e+00 -2.5204700000e-01  1.3522240000e+00 -6.9779900000e-01 -3.2854500000e-01 -1.5840400000e-01 -6.3419100000e-01  3.5236000000e-01 -5.8045900000e-01  1.1580460000e+00  9.1880800000e-01  1.6700600000e-01  1.3495270000e+00  9.4746100000e-01 -1.3292650000e+00  1.1209480000e+00
-ENERGY -1.526573867259e+02
-FORCES  2.8358000000e-03 -4.5784000000e-03  1.4352300000e-02  7.0420000000e-04 -8.2320000000e-04 -1.5764000000e-03 -1.1808000000e-03  1.1075000000e-03 -7.9853000000e-03  4.3725000000e-03  3.1423000000e-03 -1.9040000000e-03 -3.4057000000e-03 -3.0325000000e-03 -1.7631000000e-03 -3.3259000000e-03  4.1844000000e-03 -1.1235000000e-03
-
-JOB 8
-COORDS  4.2864300000e-01  9.6866700000e-01  8.9363400000e-01  4.6710000000e-03  1.2207500000e-01  7.5306600000e-01 -9.1115000000e-02  1.3862670000e+00  1.5804340000e+00 -3.6791800000e-01 -9.4942700000e-01 -8.5554700000e-01  2.2864200000e-01 -1.2169180000e+00 -1.5546870000e+00 -1.1032560000e+00 -5.3967700000e-01 -1.3111950000e+00
-ENERGY -1.526581248057e+02
-FORCES -3.0093000000e-03 -8.4299000000e-03 -5.0047000000e-03  3.3900000000e-04  6.2231000000e-03  6.8547000000e-03  1.8190000000e-04 -2.7026000000e-03 -3.8244000000e-03  3.3477000000e-03  6.5266000000e-03 -2.0911000000e-03 -3.7148000000e-03  8.5320000000e-04  1.8763000000e-03  2.8555000000e-03 -2.4704000000e-03  2.1891000000e-03
-
-JOB 9
-COORDS  7.7236200000e-01  4.4842000000e-02  1.0515620000e+00  6.8161000000e-01 -2.7168800000e-01  1.9503420000e+00  1.7174980000e+00  8.4202000000e-02  9.0527100000e-01 -8.5331800000e-01 -8.0044000000e-02 -1.1237150000e+00 -1.8519600000e-01 -8.6389000000e-02 -4.3829200000e-01 -9.7878800000e-01  8.4665200000e-01 -1.3279770000e+00
-ENERGY -1.526601685631e+02
-FORCES -3.2438000000e-03 -2.2955000000e-03 -9.3750000000e-04  2.7417000000e-03  2.1357000000e-03 -3.8006000000e-03 -5.2997000000e-03 -3.2800000000e-04  7.4840000000e-04  7.3714000000e-03  2.8343000000e-03  1.1873000000e-02 -2.4622000000e-03  5.6000000000e-05 -8.5797000000e-03  8.9260000000e-04 -2.4025000000e-03  6.9630000000e-04
-
-JOB 10
-COORDS  4.9151900000e-01 -1.1661130000e+00 -5.0804100000e-01  5.6110500000e-01 -1.0552620000e+00 -1.4562510000e+00  1.3051060000e+00 -7.9827800000e-01 -1.6307000000e-01 -6.0500100000e-01  1.1688430000e+00  5.4299300000e-01 -3.1897500000e-01  4.4444900000e-01 -1.3491000000e-02  1.7799700000e-01  1.4179100000e+00  1.0340230000e+00
-ENERGY -1.526564867947e+02
-FORCES  3.7119000000e-03  7.1690000000e-04 -5.1170000000e-04 -1.3825000000e-03  1.7373000000e-03  6.3498000000e-03 -6.8251000000e-03  1.6471000000e-03 -1.3230000000e-03  5.6090000000e-03 -1.2226800000e-02 -3.5793000000e-03  2.2280000000e-04  1.0020600000e-02  1.3739000000e-03 -1.3361000000e-03 -1.8950000000e-03 -2.3098000000e-03
-
-JOB 11
-COORDS -1.1287210000e+00  2.8052700000e-01  6.4652800000e-01 -1.3308110000e+00 -6.9334000000e-02 -2.2122100000e-01 -1.9716240000e+00  5.8082000000e-01  9.8648500000e-01  1.2220480000e+00 -3.3080000000e-01 -6.3602800000e-01  1.3339510000e+00  5.4665300000e-01 -1.0017950000e+00  6.2075700000e-01 -2.0959600000e-01  9.8812000000e-02
-ENERGY -1.526591882715e+02
-FORCES -1.3200000000e-04 -1.0192000000e-03 -2.0675000000e-03  2.3657000000e-03  2.3929000000e-03  5.8386000000e-03  2.8867000000e-03 -1.4539000000e-03 -3.7749000000e-03 -5.0066000000e-03  6.5694000000e-03  6.9671000000e-03 -7.4910000000e-04 -3.1456000000e-03  5.4500000000e-05  6.3540000000e-04 -3.3436000000e-03 -7.0180000000e-03
-
-JOB 12
-COORDS -1.0803910000e+00 -7.1365100000e-01  5.2089400000e-01 -5.6166400000e-01 -2.8584700000e-01 -1.6038300000e-01 -1.3121810000e+00 -1.5640360000e+00  1.4759800000e-01  1.0332370000e+00  7.3876000000e-01 -3.9560500000e-01  1.0217510000e+00  1.4287450000e+00 -1.0589460000e+00  1.5661180000e+00  4.3591000000e-02 -7.8162300000e-01
-ENERGY -1.526571118186e+02
-FORCES  7.9886000000e-03  6.4041000000e-03 -4.7183000000e-03 -7.0447000000e-03 -7.5134000000e-03  1.9540000000e-04  3.0271000000e-03  3.5316000000e-03  6.2900000000e-05  2.5007000000e-03 -6.9130000000e-04  5.2000000000e-05 -9.6470000000e-04 -4.7123000000e-03  3.2865000000e-03 -5.5070000000e-03  2.9814000000e-03  1.1215000000e-03
-
-JOB 13
-COORDS  5.2682600000e-01  1.0380390000e+00 -8.2871500000e-01  1.9013900000e-01  1.6922440000e+00 -2.1643200000e-01  1.9707000000e-01  2.0404600000e-01 -4.9412700000e-01 -5.1488400000e-01 -9.6491800000e-01  7.9472900000e-01  1.8047100000e-01 -1.4536190000e+00  1.2350520000e+00 -7.9981300000e-01 -1.5400810000e+00  8.4634000000e-02
-ENERGY -1.526584391264e+02
-FORCES -6.8781000000e-03 -7.4893000000e-03  1.2084300000e-02  1.6436000000e-03 -3.6480000000e-04 -2.3443000000e-03  2.2139000000e-03  9.4260000000e-04 -8.8893000000e-03  2.5474000000e-03 -1.8049000000e-03  3.2430000000e-04 -3.8268000000e-03  2.4950000000e-03 -3.0877000000e-03  4.2999000000e-03  6.2214000000e-03  1.9126000000e-03
-
-JOB 14
-COORDS  1.1097020000e+00  4.6331600000e-01  5.9173100000e-01  1.6291980000e+00  5.0552700000e-01 -2.1112300000e-01  1.2151350000e+00  1.3266400000e+00  9.9146600000e-01 -1.1702180000e+00 -5.7185200000e-01 -5.3430700000e-01 -3.3818300000e-01 -1.1631600000e-01 -4.0609800000e-01 -1.6023780000e+00 -8.8589000000e-02 -1.2385270000e+00
-ENERGY -1.526569485137e+02
-FORCES -5.6590000000e-04  2.7620000000e-03  1.2071000000e-03 -7.6984000000e-03 -4.9820000000e-04  2.6271000000e-03  4.6920000000e-04 -4.3596000000e-03 -2.6845000000e-03  8.5792000000e-03  6.0356000000e-03  5.2840000000e-03 -3.9350000000e-03 -3.5337000000e-03 -9.1905000000e-03  3.1509000000e-03 -4.0620000000e-04  2.7567000000e-03
-
-JOB 15
-COORDS  3.2116500000e-01 -1.0290550000e+00 -9.0544500000e-01  5.1169300000e-01 -8.2412200000e-01 -1.8208320000e+00  6.3635000000e-02 -1.9133900000e-01 -5.2055300000e-01 -2.5980600000e-01  9.4747800000e-01  8.9251900000e-01 -1.0576530000e+00  1.4122230000e+00  6.4016300000e-01 -3.6407800000e-01  7.8308300000e-01  1.8297140000e+00
-ENERGY -1.526591266719e+02
-FORCES -1.0314000000e-03  8.8589000000e-03  7.3327000000e-03 -1.4700000000e-03  1.3703000000e-03  3.7436000000e-03 -4.9620000000e-04 -4.4511000000e-03 -9.5105000000e-03 -7.3220000000e-04 -4.9327000000e-03  2.7438000000e-03  4.4682000000e-03 -3.6822000000e-03 -2.9310000000e-04 -7.3830000000e-04  2.8367000000e-03 -4.0164000000e-03
-
-JOB 16
-COORDS -8.2877500000e-01  9.4143700000e-01 -6.6768500000e-01 -1.6367980000e+00  4.6844400000e-01 -8.6670500000e-01 -2.6012100000e-01  2.8578700000e-01 -2.6396800000e-01  8.1698900000e-01 -8.3702600000e-01  6.1635200000e-01  1.2805370000e+00 -1.6552920000e+00  4.3804000000e-01  8.5340300000e-01 -7.4309200000e-01  1.5682360000e+00
-ENERGY -1.526609237598e+02
-FORCES  6.1794000000e-03 -1.0186800000e-02  4.9384000000e-03  2.5419000000e-03  7.2410000000e-04  7.8040000000e-04 -5.7362000000e-03  6.4806000000e-03 -2.7285000000e-03 -1.3108000000e-03  1.3203000000e-03 -9.6010000000e-04 -2.0115000000e-03  3.4554000000e-03  2.8159000000e-03  3.3720000000e-04 -1.7936000000e-03 -4.8462000000e-03
-
-JOB 17
-COORDS -1.1622130000e+00 -7.1497400000e-01  3.6503900000e-01 -5.8386000000e-01 -4.7697000000e-02 -4.3940000000e-03 -1.8932690000e+00 -2.2047900000e-01  7.3553100000e-01  1.1543570000e+00  5.9209200000e-01 -4.0078400000e-01  1.6785970000e+00  6.5879900000e-01  3.9731000000e-01  9.0054600000e-01  1.4938710000e+00 -5.9726800000e-01
-ENERGY -1.526581747670e+02
-FORCES  8.9996000000e-03  5.9609000000e-03 -3.5699000000e-03 -1.0655000000e-02 -8.3620000000e-04  2.6641000000e-03  4.1185000000e-03  6.4400000000e-05 -1.6589000000e-03  2.3992000000e-03  6.7200000000e-05  4.5623000000e-03 -2.6653000000e-03  9.8650000000e-04 -4.5634000000e-03 -2.1970000000e-03 -6.2428000000e-03  2.5658000000e-03
-
-JOB 18
-COORDS -6.2359300000e-01 -4.6481200000e-01  1.1709580000e+00 -3.0735400000e-01 -4.4607700000e-01  2.6770100000e-01 -9.6320600000e-01 -1.3520570000e+00  1.2879730000e+00  5.7461100000e-01  4.7127300000e-01 -1.1233890000e+00  5.9440700000e-01  1.3501300000e+00 -1.5021380000e+00  1.4668290000e+00  3.2530600000e-01 -8.0894900000e-01
-ENERGY -1.526597536460e+02
-FORCES  1.9501000000e-03  2.7262000000e-03 -9.3982000000e-03 -3.7710000000e-04 -6.1614000000e-03  8.1656000000e-03  1.9884000000e-03  3.0050000000e-03 -2.1875000000e-03 -2.0440000000e-04  4.3982000000e-03  3.6510000000e-03  1.9816000000e-03 -3.9079000000e-03  1.0344000000e-03 -5.3387000000e-03 -6.0200000000e-05 -1.2653000000e-03
-
-JOB 19
-COORDS  1.1574800000e-01 -1.1565360000e+00  8.1728000000e-01 -1.5389800000e-01 -6.6092300000e-01  4.4046000000e-02 -7.0541200000e-01 -1.4001860000e+00  1.2445540000e+00 -1.3158000000e-02  1.0946780000e+00 -7.6297500000e-01 -4.1587800000e-01  1.9030350000e+00 -4.4578800000e-01 -2.3935900000e-01  1.0625440000e+00 -1.6925090000e+00
-ENERGY -1.526577997640e+02
-FORCES -2.7004000000e-03  9.4017000000e-03 -6.1356000000e-03 -7.2620000000e-04 -9.1856000000e-03  2.1937000000e-03  2.3066000000e-03  1.9903000000e-03 -1.7799000000e-03 -8.0690000000e-04  2.9163000000e-03  2.8865000000e-03  1.6226000000e-03 -3.4948000000e-03 -2.9371000000e-03  3.0420000000e-04 -1.6279000000e-03  5.7724000000e-03
-
-JOB 20
-COORDS -4.4973900000e-01 -8.4034500000e-01 -1.0582310000e+00  1.0676100000e-01 -9.3503700000e-01 -1.8312600000e+00 -7.6023000000e-02 -9.8282000000e-02 -5.8293000000e-01  3.5075300000e-01  7.7404800000e-01  1.0366710000e+00  3.7714600000e-01  1.6680210000e+00  1.3777690000e+00  1.1414840000e+00  3.6125200000e-01  1.3839110000e+00
-ENERGY -1.526600902760e+02
-FORCES  3.0767000000e-03  7.4744000000e-03  5.9505000000e-03 -7.6440000000e-04  1.1776000000e-03  3.6112000000e-03 -5.5400000000e-04 -6.6042000000e-03 -7.7204000000e-03  9.6970000000e-04 -5.2700000000e-04  1.5070000000e-03  7.7130000000e-04 -4.7250000000e-03 -9.0100000000e-04 -3.4994000000e-03  3.2042000000e-03 -2.4472000000e-03
-
-JOB 21
-COORDS -6.3889700000e-01  4.1488700000e-01  1.1133100000e+00 -1.5357580000e+00  4.3354900000e-01  1.4472620000e+00 -3.7742900000e-01  1.3349360000e+00  1.0762240000e+00  7.4048100000e-01 -4.9314800000e-01 -1.1165140000e+00  2.5547600000e-01 -5.7382600000e-01 -1.9377890000e+00  1.3852800000e-01 -4.0452000000e-02 -5.2579400000e-01
-ENERGY -1.526589610102e+02
-FORCES -1.7194000000e-03  6.0900000000e-04  1.2002000000e-03  4.6653000000e-03  9.1950000000e-04 -1.2876000000e-03 -1.7310000000e-03 -6.0577000000e-03 -2.6877000000e-03 -7.9732000000e-03  1.9552000000e-03  7.5674000000e-03  5.3830000000e-04  6.7580000000e-04  3.4053000000e-03  6.2199000000e-03  1.8983000000e-03 -8.1976000000e-03
-
-JOB 22
-COORDS  2.3306000000e-01 -1.2883100000e+00 -5.8221400000e-01  4.9710500000e-01 -4.0313300000e-01 -3.3126900000e-01 -3.3551000000e-02 -1.2086510000e+00 -1.4980760000e+00 -2.2084900000e-01  1.1856180000e+00  5.7980100000e-01  1.7848100000e-01  2.0500930000e+00  4.8258600000e-01 -7.9087000000e-01  1.2691630000e+00  1.3442140000e+00
-ENERGY -1.526585868452e+02
-FORCES -2.8325000000e-03  1.1071300000e-02  2.2621000000e-03  3.7263000000e-03 -6.1603000000e-03 -4.4742000000e-03  9.6280000000e-04  8.4300000000e-05  2.7366000000e-03 -3.0027000000e-03 -2.0432000000e-03  3.0852000000e-03 -1.7112000000e-03 -4.9129000000e-03 -1.4210000000e-04  2.8573000000e-03  1.9607000000e-03 -3.4676000000e-03
-
-JOB 23
-COORDS -1.2282490000e+00  5.8186300000e-01  1.8261100000e-01 -1.8755710000e+00  4.9129900000e-01 -5.1667800000e-01 -8.8030000000e-01  1.4669910000e+00  7.4387000000e-02  1.3004490000e+00 -6.3436800000e-01 -9.5147000000e-02  1.2338040000e+00 -8.5305200000e-01 -1.0246460000e+00  4.3220000000e-01 -3.0479500000e-01  1.3670700000e-01
-ENERGY -1.526602261090e+02
-FORCES -4.4700000000e-05  1.8996000000e-03 -3.7535000000e-03  3.6811000000e-03  1.2673000000e-03  2.9868000000e-03 -1.0404000000e-03 -6.0053000000e-03 -1.5650000000e-04 -1.2758200000e-02  3.0165000000e-03 -1.1702000000e-03  1.9360000000e-04  9.0370000000e-04  2.3232000000e-03  9.9686000000e-03 -1.0820000000e-03 -2.2980000000e-04
-
-JOB 24
-COORDS  1.1046040000e+00  8.9621000000e-01  2.0668600000e-01  5.5476200000e-01  1.7477300000e-01 -9.8984000000e-02  1.7835230000e+00  4.7413300000e-01  7.3313700000e-01 -1.0593380000e+00 -8.4867500000e-01 -1.7610400000e-01 -1.8581420000e+00 -3.7679100000e-01  5.9414000000e-02 -1.1160660000e+00 -9.5772400000e-01 -1.1253790000e+00
-ENERGY -1.526601028493e+02
-FORCES -7.6470000000e-03 -9.3398000000e-03  6.6540000000e-04  8.5403000000e-03  5.4458000000e-03 -2.6313000000e-03 -2.5449000000e-03  7.1670000000e-04 -1.7237000000e-03 -3.9155000000e-03  4.3295000000e-03  6.0620000000e-04  3.0868000000e-03 -3.4190000000e-03 -2.2550000000e-03  2.4804000000e-03  2.2667000000e-03  5.3384000000e-03
-
-JOB 25
-COORDS  1.6285000000e-01  9.8899000000e-01 -8.9164400000e-01 -1.2673100000e-01  1.8769460000e+00 -6.8209700000e-01  5.3596100000e-01  1.0593250000e+00 -1.7703210000e+00 -1.1509400000e-01 -1.0756370000e+00  9.5350000000e-01 -1.0293270000e+00 -1.3590550000e+00  9.6266000000e-01 -1.3456800000e-01 -2.1588300000e-01  5.3317300000e-01
-ENERGY -1.526591155262e+02
-FORCES  2.2222000000e-03 -2.2311000000e-03 -2.4481000000e-03  9.9350000000e-04 -5.2872000000e-03 -3.7140000000e-04 -2.3783000000e-03  2.0628000000e-03  3.6317000000e-03 -9.3470000000e-04  7.3193000000e-03 -8.4533000000e-03  2.6470000000e-03  1.4738000000e-03 -3.4370000000e-04 -2.5497000000e-03 -3.3376000000e-03  7.9848000000e-03
-
-JOB 26
-COORDS  3.6089600000e-01  7.7391700000e-01  1.0404970000e+00  3.1249100000e-01  4.8728200000e-01  1.9524890000e+00  1.1620840000e+00  1.2957130000e+00  9.9513500000e-01 -4.3781000000e-01 -7.6419200000e-01 -1.1449110000e+00 -2.2123900000e-01 -1.6755310000e+00 -9.4795800000e-01 -9.6155000000e-02 -2.6990900000e-01 -3.9980100000e-01
-ENERGY -1.526609900201e+02
-FORCES  9.0340000000e-04 -7.8340000000e-04  7.0110000000e-04  1.4413000000e-03  1.7804000000e-03 -4.3482000000e-03 -3.9728000000e-03 -3.1089000000e-03  1.1770000000e-03  4.0545000000e-03  4.7955000000e-03  1.0531000000e-02 -4.6510000000e-04  2.8440000000e-03  3.4560000000e-04 -1.9612000000e-03 -5.5276000000e-03 -8.4065000000e-03
-
-JOB 27
-COORDS -1.1860000000e-01  1.1088990000e+00 -9.5369400000e-01 -8.8376400000e-01  6.6751100000e-01 -1.3223840000e+00  2.8247700000e-01  4.5542400000e-01 -3.8068500000e-01  1.8971200000e-01 -1.0510480000e+00  8.9049900000e-01 -6.3857600000e-01 -1.5299890000e+00  9.1853300000e-01  1.9576700000e-01 -5.3471000000e-01  1.6964710000e+00
-ENERGY -1.526593411509e+02
-FORCES -3.4110000000e-04 -1.2028600000e-02  5.6413000000e-03  1.3057000000e-03  1.7833000000e-03  7.1660000000e-04  4.9360000000e-04  8.5214000000e-03 -3.1081000000e-03 -5.2083000000e-03  1.0051000000e-03  2.1629000000e-03  3.7908000000e-03  2.6064000000e-03 -1.7900000000e-05 -4.0700000000e-05 -1.8876000000e-03 -5.3947000000e-03
-
-JOB 28
-COORDS -5.8185900000e-01  1.2289480000e+00  6.2381000000e-02 -6.5912600000e-01  1.6331770000e+00  9.2659200000e-01 -4.8651300000e-01  1.9667100000e+00 -5.3998800000e-01  5.5575700000e-01 -1.3393520000e+00 -3.7448000000e-02  1.7962600000e-01 -4.9748700000e-01 -2.9439200000e-01  1.4096170000e+00 -1.3625750000e+00 -4.6944000000e-01
-ENERGY -1.526603029617e+02
-FORCES  1.0717000000e-03  8.2100000000e-04  3.9795000000e-03 -1.4360000000e-04  2.2850000000e-04 -4.9592000000e-03  3.1390000000e-04 -3.6411000000e-03  3.1477000000e-03 -2.4332000000e-03  1.0190300000e-02 -8.7730000000e-04  4.0299000000e-03 -8.7216000000e-03 -2.3467000000e-03 -2.8387000000e-03  1.1229000000e-03  1.0560000000e-03
-
-JOB 29
-COORDS -3.3875800000e-01  1.0647220000e+00 -8.3054900000e-01 -6.4226100000e-01  6.2315900000e-01 -1.6237320000e+00 -1.1384190000e+00  1.3853400000e+00 -4.1344200000e-01  3.7845800000e-01 -1.1181590000e+00  8.6398200000e-01 -5.4495000000e-02 -3.5211500000e-01  4.8720600000e-01  1.2722970000e+00 -8.2542800000e-01  1.0417260000e+00
-ENERGY -1.526596675984e+02
-FORCES -2.4539000000e-03 -1.0418000000e-03 -4.1600000000e-03  9.0990000000e-04  2.6064000000e-03  4.7204000000e-03  5.0809000000e-03 -4.6503000000e-03 -3.7140000000e-04  1.0151000000e-03  1.1084300000e-02 -6.9602000000e-03 -2.1575000000e-03 -6.4844000000e-03  6.7752000000e-03 -2.3946000000e-03 -1.5143000000e-03 -4.0000000000e-06
-
-JOB 30
-COORDS  4.7377700000e-01 -1.3634290000e+00 -2.0735400000e-01  2.4077500000e-01 -4.6296400000e-01  1.8709000000e-02  1.0025730000e+00 -1.2824330000e+00 -1.0011090000e+00 -4.5678600000e-01  1.2532440000e+00  2.1033700000e-01 -5.7746200000e-01  2.1291140000e+00 -1.5643600000e-01 -8.8790800000e-01  1.2891300000e+00  1.0641980000e+00
-ENERGY -1.526601649998e+02
-FORCES -1.9302000000e-03  1.1711400000e-02 -1.8770000000e-03  1.7872000000e-03 -8.1175000000e-03  2.4694000000e-03 -1.3832000000e-03 -3.4190000000e-04  1.9604000000e-03 -5.7950000000e-04  1.5680000000e-04 -8.9750000000e-04 -4.4760000000e-04 -3.2764000000e-03  3.0051000000e-03  2.5534000000e-03 -1.3250000000e-04 -4.6604000000e-03
-
-JOB 31
-COORDS  5.2773800000e-01 -1.2310160000e+00 -2.7798700000e-01  8.3698000000e-02 -1.9173640000e+00 -7.7597000000e-01  1.0727750000e+00 -1.7047790000e+00  3.5027600000e-01 -5.6554500000e-01  1.3046580000e+00  3.3259700000e-01 -7.0717800000e-01  1.7008820000e+00 -5.2715800000e-01  8.5667000000e-02  6.2054200000e-01  1.7722500000e-01
-ENERGY -1.526594949620e+02
-FORCES -3.9358000000e-03 -1.9211000000e-03  3.2220000000e-04  3.3045000000e-03  1.7554000000e-03  2.3927000000e-03 -2.9189000000e-03  2.4209000000e-03 -2.9997000000e-03  4.1766000000e-03 -9.0620000000e-03 -5.3488000000e-03  2.7800000000e-05 -1.4384000000e-03  2.3879000000e-03 -6.5420000000e-04  8.2453000000e-03  3.2457000000e-03
-
-JOB 32
-COORDS  1.2475510000e+00  2.3601300000e-01 -7.3247000000e-01  8.8609300000e-01  3.7963300000e-01 -1.6070860000e+00  4.9989700000e-01 -5.0412000000e-02 -2.0786900000e-01 -1.1374560000e+00 -2.6238000000e-01  7.1680000000e-01 -2.0084770000e+00 -5.4613600000e-01  9.9435400000e-01 -1.0636190000e+00  6.3586500000e-01  1.0391890000e+00
-ENERGY -1.526598180993e+02
-FORCES -9.4123000000e-03 -4.2692000000e-03  8.8260000000e-04  1.3390000000e-03  4.7100000000e-05  2.4894000000e-03  5.8539000000e-03  6.2835000000e-03 -6.8270000000e-04 -1.7524000000e-03  3.0970000000e-04  7.9930000000e-04  3.3344000000e-03  3.1668000000e-03 -5.0880000000e-04  6.3740000000e-04 -5.5379000000e-03 -2.9798000000e-03
-
-JOB 33
-COORDS -1.2497390000e+00  4.1338400000e-01  3.9463700000e-01 -1.4997770000e+00  6.2874500000e-01 -5.0388000000e-01 -2.0446700000e+00  5.6122600000e-01  9.0694500000e-01  1.3706760000e+00 -4.4821900000e-01 -3.6036600000e-01  9.0240500000e-01 -6.8076500000e-01 -1.1621610000e+00  7.3115500000e-01  4.0220000000e-02  1.5797100000e-01
-ENERGY -1.526582665998e+02
-FORCES -2.7843000000e-03  4.0150000000e-04 -6.1550000000e-04  2.2075000000e-03 -1.7205000000e-03  4.1317000000e-03  2.9169000000e-03 -6.1720000000e-04 -3.5364000000e-03 -1.0451400000e-02  1.3439000000e-03  2.4376000000e-03  1.4305000000e-03  1.3821000000e-03  1.2736000000e-03  6.6807000000e-03 -7.8980000000e-04 -3.6911000000e-03
-
-JOB 34
-COORDS -1.1372060000e+00 -7.8012500000e-01 -1.3625000000e-02 -1.4534080000e+00 -1.6826860000e+00 -5.4029000000e-02 -1.6580440000e+00 -3.7415900000e-01  6.7930400000e-01  1.2168970000e+00  8.0482700000e-01 -7.8933000000e-02  3.9541600000e-01  3.6037700000e-01  1.3050700000e-01  1.4424850000e+00  1.2812350000e+00  7.2005200000e-01
-ENERGY -1.526585768597e+02
-FORCES -8.3290000000e-04 -3.8803000000e-03  6.3800000000e-05 -4.6030000000e-04  4.6517000000e-03  8.3030000000e-04  5.3295000000e-03 -1.1435000000e-03 -2.9352000000e-03 -6.7243000000e-03 -5.5831000000e-03  1.2272000000e-03  5.0621000000e-03  8.1611000000e-03  2.9760000000e-03 -2.3742000000e-03 -2.2059000000e-03 -2.1622000000e-03
-
-JOB 35
-COORDS  1.1112370000e+00 -8.5814300000e-01  5.3644500000e-01  2.8676200000e-01 -5.4517300000e-01  1.6425900000e-01  1.2665600000e+00 -2.8771200000e-01  1.2892500000e+00 -1.0495030000e+00  7.4044400000e-01 -5.6206300000e-01 -1.9701580000e+00  1.0020130000e+00 -5.7650200000e-01 -5.6647000000e-01  1.5652170000e+00 -5.1049000000e-01
-ENERGY -1.526603905869e+02
-FORCES -8.1823000000e-03  5.0374000000e-03 -8.1790000000e-04  7.9779000000e-03 -3.2795000000e-03  2.8954000000e-03 -3.7100000000e-05 -1.0221000000e-03 -2.6408000000e-03 -1.6268000000e-03  3.2147000000e-03 -2.5750000000e-04  4.6664000000e-03  3.2280000000e-04 -1.0190000000e-04 -2.7982000000e-03 -4.2733000000e-03  9.2270000000e-04
-
-JOB 36
-COORDS  1.9890000000e-03  7.4936600000e-01  1.2081640000e+00  6.8245800000e-01  1.1693090000e+00  1.7343220000e+00 -4.7764100000e-01  1.4765660000e+00  8.1146800000e-01 -6.3137000000e-02 -8.6073400000e-01 -1.2262210000e+00  6.3302300000e-01 -6.1008500000e-01 -1.8334840000e+00  7.3777000000e-02 -3.0270400000e-01 -4.6065700000e-01
-ENERGY -1.526605602315e+02
-FORCES  7.9350000000e-04  4.0883000000e-03  2.7397000000e-03 -3.8310000000e-03 -1.0424000000e-03 -2.6749000000e-03  3.9991000000e-03 -4.7256000000e-03  5.5010000000e-04  3.5397000000e-03  4.4940000000e-03  7.0696000000e-03 -2.1656000000e-03 -1.0770000000e-04  2.4366000000e-03 -2.3357000000e-03 -2.7066000000e-03 -1.0121200000e-02
-
-JOB 37
-COORDS -9.5864600000e-01  9.3570900000e-01 -7.0128000000e-01 -1.6537940000e+00  3.0351500000e-01 -8.8384900000e-01 -2.2525200000e-01  4.0355400000e-01 -3.9277400000e-01  8.8958700000e-01 -8.8448400000e-01  6.6916800000e-01  1.1723090000e+00 -7.7087900000e-01  1.5765790000e+00  1.6624910000e+00 -6.6716500000e-01  1.4799200000e-01
-ENERGY -1.526599186604e+02
-FORCES  3.1856000000e-03 -9.0601000000e-03  5.2868000000e-03  1.6769000000e-03  2.3574000000e-03  1.7000000000e-04 -1.6511000000e-03  6.1924000000e-03 -7.1198000000e-03  3.2819000000e-03  7.4180000000e-04  4.4747000000e-03 -2.2130000000e-04 -1.2424000000e-03 -4.6721000000e-03 -6.2721000000e-03  1.0109000000e-03  1.8604000000e-03
-
-JOB 38
-COORDS -1.3721400000e-01  1.0745520000e+00 -1.0494420000e+00 -3.3329600000e-01  5.2557200000e-01 -1.8086550000e+00  2.6204000000e-02  4.5327400000e-01 -3.3983600000e-01  1.3921900000e-01 -9.6078900000e-01  1.0121800000e+00 -5.9018000000e-01 -1.5692590000e+00  1.1303870000e+00  8.2858000000e-01 -1.2985440000e+00  1.5839610000e+00
-ENERGY -1.526613809073e+02
-FORCES  1.2952000000e-03 -8.4398000000e-03  4.9373000000e-03  1.2060000000e-04  1.4963000000e-03  2.2524000000e-03 -1.4622000000e-03  6.5816000000e-03 -6.7781000000e-03 -1.7500000000e-05 -2.0891000000e-03  2.0458000000e-03  4.1834000000e-03  2.0994000000e-03 -3.2600000000e-04 -4.1195000000e-03  3.5150000000e-04 -2.1314000000e-03
-
-JOB 39
-COORDS  4.2922500000e-01 -1.2231950000e+00  6.1197000000e-01  9.1573800000e-01 -1.0216640000e+00  1.4112970000e+00  3.1742300000e-01 -2.1736260000e+00  6.3226000000e-01 -4.1761500000e-01  1.3252450000e+00 -6.8240800000e-01 -1.3614120000e+00  1.2005420000e+00 -5.8276900000e-01 -3.4712000000e-02  4.9438500000e-01 -4.0082600000e-01
-ENERGY -1.526612291586e+02
-FORCES  1.0667000000e-03 -3.1914000000e-03  2.5002000000e-03 -2.4037000000e-03 -1.6232000000e-03 -3.9348000000e-03  8.6910000000e-04  4.0946000000e-03  1.3859000000e-03 -9.2770000000e-04 -8.7629000000e-03  3.3787000000e-03  2.4884000000e-03  9.7590000000e-04 -6.1590000000e-04 -1.0927000000e-03  8.5070000000e-03 -2.7141000000e-03
-
-JOB 40
-COORDS -1.1180770000e+00 -4.5528500000e-01 -9.0882400000e-01 -7.7821500000e-01  1.3976100000e-01 -1.5771400000e+00 -1.6087430000e+00  1.0950300000e-01 -3.1175300000e-01  1.1390070000e+00  4.5191100000e-01  9.5237500000e-01  1.6792470000e+00 -3.1781200000e-01  7.7377300000e-01  3.4017800000e-01  3.0736100000e-01  4.4521800000e-01
-ENERGY -1.526577980812e+02
-FORCES -3.9629000000e-03  3.4025000000e-03 -3.4810000000e-03 -5.3130000000e-04 -3.0292000000e-03  5.3451000000e-03  6.9801000000e-03 -2.5415000000e-03 -1.5363000000e-03 -3.8273000000e-03 -7.6856000000e-03 -5.5934000000e-03 -6.4580000000e-04  3.2411000000e-03  1.0297000000e-03  1.9873000000e-03  6.6128000000e-03  4.2360000000e-03
-
-JOB 41
-COORDS  6.3223700000e-01 -1.1477990000e+00  8.2480100000e-01 -1.1550100000e-01 -1.2721430000e+00  1.4093170000e+00  4.7185300000e-01 -3.0186600000e-01  4.0658300000e-01 -5.2468700000e-01  1.0565090000e+00 -8.3011600000e-01 -4.6850300000e-01  2.0062740000e+00 -7.2512700000e-01 -1.4488100000e+00  8.8982600000e-01 -1.0157100000e+00
-ENERGY -1.526604315155e+02
-FORCES -5.2647000000e-03  7.0067000000e-03 -3.1704000000e-03  2.0210000000e-03  2.9500000000e-05 -1.8203000000e-03  4.1620000000e-03 -6.3431000000e-03  5.7688000000e-03 -4.3259000000e-03  2.2785000000e-03 -1.8856000000e-03 -7.2610000000e-04 -4.7708000000e-03 -2.0010000000e-04  4.1337000000e-03  1.7992000000e-03  1.3075000000e-03
-
-JOB 42
-COORDS  3.1666100000e-01 -5.0267700000e-01  1.3161440000e+00  1.1414500000e+00 -2.1935100000e-01  1.7107080000e+00 -1.4033900000e-01 -9.6319000000e-01  2.0199270000e+00 -3.3554500000e-01  4.9551900000e-01 -1.4436060000e+00 -2.2468600000e-01 -1.0478900000e-01 -7.0633200000e-01 -4.8573100000e-01  1.3491960000e+00 -1.0375130000e+00
-ENERGY -1.526607717291e+02
-FORCES  2.2009000000e-03 -5.2010000000e-04  4.0599000000e-03 -4.3084000000e-03 -1.4101000000e-03 -7.0880000000e-04  2.6665000000e-03  2.4229000000e-03 -2.7537000000e-03  8.4380000000e-04 -7.6610000000e-04  9.6924000000e-03 -1.8635000000e-03  1.8969000000e-03 -7.9504000000e-03  4.6070000000e-04 -1.6235000000e-03 -2.3394000000e-03
-
-JOB 43
-COORDS  5.6887800000e-01 -1.2834750000e+00  3.9989500000e-01  1.0613990000e+00 -2.1017920000e+00  3.3654900000e-01  7.1161800000e-01 -9.8641200000e-01  1.2985670000e+00 -5.7789800000e-01  1.3513460000e+00 -4.9435000000e-01 -1.4312370000e+00  1.4159730000e+00 -6.5551000000e-02 -1.5720400000e-01  5.9832800000e-01 -7.9366000000e-02
-ENERGY -1.526583172715e+02
-FORCES  3.6497000000e-03 -4.5481000000e-03  7.3910000000e-04 -2.2018000000e-03  3.2638000000e-03  1.8746000000e-03 -1.9733000000e-03  7.4880000000e-04 -5.7868000000e-03 -1.2640000000e-04 -7.3529000000e-03  1.6663000000e-03  3.2124000000e-03 -2.4820000000e-04 -8.7800000000e-04 -2.5606000000e-03  8.1365000000e-03  2.3849000000e-03
-
-JOB 44
-COORDS -5.4036400000e-01  1.3079610000e+00  4.1412600000e-01 -4.7981200000e-01  2.2112690000e+00  7.2493100000e-01 -8.0352300000e-01  8.0590900000e-01  1.1854380000e+00  5.0261400000e-01 -1.3709040000e+00 -5.0297900000e-01  4.0017300000e-01 -5.2221600000e-01 -7.2322000000e-02  1.4474300000e+00 -1.5242430000e+00 -5.0945900000e-01
-ENERGY -1.526584515223e+02
-FORCES -2.3369000000e-03  4.3798000000e-03  3.5440000000e-03 -1.1290000000e-03 -4.1940000000e-03 -8.3140000000e-04  4.2707000000e-03  1.0827000000e-03 -5.1621000000e-03  2.1680000000e-03  6.8771000000e-03  3.7760000000e-04  3.2320000000e-04 -8.9097000000e-03  1.8894000000e-03 -3.2960000000e-03  7.6400000000e-04  1.8260000000e-04
-
-JOB 45
-COORDS  8.5890900000e-01 -4.1812800000e-01  1.1372250000e+00  1.0069580000e+00  3.2238800000e-01  1.7254000000e+00  3.2054400000e-01 -1.0246030000e+00  1.6457350000e+00 -8.8576700000e-01  3.6385100000e-01 -1.2115520000e+00 -8.7509000000e-02  2.8673500000e-01 -6.8899100000e-01 -8.3624800000e-01  1.2382840000e+00 -1.5977490000e+00
-ENERGY -1.526603486686e+02
-FORCES -3.1251000000e-03 -1.2678000000e-03  5.9115000000e-03 -9.2130000000e-04 -3.0152000000e-03 -3.3023000000e-03  3.3784000000e-03  3.0265000000e-03 -1.2727000000e-03  5.7432000000e-03  2.6590000000e-04  4.0187000000e-03 -5.5161000000e-03  3.7667000000e-03 -7.6264000000e-03  4.4090000000e-04 -2.7762000000e-03  2.2712000000e-03
-
-JOB 46
-COORDS -2.9476700000e-01  1.5351620000e+00 -1.5878900000e-01 -6.8303800000e-01  1.7869080000e+00  6.7912600000e-01 -3.3973000000e-02  6.2215800000e-01 -3.7789000000e-02  3.5461100000e-01 -1.4966150000e+00  7.4904000000e-02 -5.4812200000e-01 -1.5476830000e+00 -2.3925600000e-01  2.7770900000e-01 -1.5080270000e+00  1.0289420000e+00
-ENERGY -1.526584859987e+02
-FORCES  2.6291000000e-03 -5.8421000000e-03  2.8864000000e-03  1.3214000000e-03 -2.0704000000e-03 -2.7868000000e-03 -5.7758000000e-03  8.1870000000e-03  5.2000000000e-04 -3.3269000000e-03 -5.8623000000e-03  2.1960000000e-03  5.3537000000e-03  3.0659000000e-03  2.5070000000e-03 -2.0140000000e-04  2.5219000000e-03 -5.3225000000e-03
-
-JOB 47
-COORDS  1.2468150000e+00 -6.6639600000e-01 -7.9509000000e-01  1.1555430000e+00  9.9026000000e-02 -2.2761300000e-01  3.4792300000e-01 -9.4961200000e-01 -9.6246100000e-01 -1.1604940000e+00  6.9246800000e-01  7.3255100000e-01 -2.0990190000e+00  5.8781600000e-01  8.8891600000e-01 -7.5208600000e-01 -1.1640000000e-03  1.2505360000e+00
-ENERGY -1.526569910162e+02
-FORCES -6.5108000000e-03  5.1690000000e-03  6.7900000000e-05  2.3764000000e-03 -4.7004000000e-03  1.6380000000e-04  4.1815000000e-03 -1.7265000000e-03  9.1210000000e-04 -3.6497000000e-03 -2.0614000000e-03  3.8669000000e-03  4.3078000000e-03 -2.2450000000e-04 -7.5180000000e-04 -7.0520000000e-04  3.5438000000e-03 -4.2589000000e-03
-
-JOB 48
-COORDS  6.9110600000e-01  2.3208100000e-01  1.4514350000e+00 -3.7160000000e-02 -3.5220400000e-01  1.2405490000e+00  1.4059040000e+00 -6.1888000000e-02  8.8674300000e-01 -6.4132700000e-01 -1.2772700000e-01 -1.4162770000e+00 -9.0339500000e-01 -8.3873500000e-01 -2.0011020000e+00 -1.1722410000e+00 -2.5557800000e-01 -6.3013700000e-01
-ENERGY -1.526528905553e+02
-FORCES  1.1919000000e-03 -3.4706000000e-03 -6.8379000000e-03 -6.6730000000e-04  2.4863000000e-03  1.9870000000e-04 -1.6414000000e-03  8.8630000000e-04  4.4451000000e-03 -4.5795000000e-03 -1.4923000000e-03  1.1360000000e-04  1.8055000000e-03  3.1338000000e-03  3.2140000000e-03  3.8909000000e-03 -1.5434000000e-03 -1.1335000000e-03
-
-JOB 49
-COORDS  8.0730100000e-01 -1.8603400000e-01 -1.3384160000e+00  1.5744860000e+00  2.5292500000e-01 -1.7058030000e+00  1.4952700000e-01  5.0503500000e-01 -1.2610250000e+00 -7.9414000000e-01  1.7595100000e-01  1.4004440000e+00 -9.1729600000e-01  2.5506100000e-01  4.5450300000e-01 -1.0154860000e+00 -7.3455000000e-01  1.5959590000e+00
-ENERGY -1.526515892215e+02
-FORCES  2.7476000000e-03  5.8110000000e-03 -3.8190000000e-04 -3.3288000000e-03 -2.2504000000e-03  1.2497000000e-03 -8.2830000000e-04 -4.5885000000e-03  2.9137000000e-03  1.2591000000e-03 -6.2323000000e-03 -4.1997000000e-03  1.8900000000e-05  3.2400000000e-03  1.9690000000e-04  1.3150000000e-04  4.0202000000e-03  2.2130000000e-04
-
-JOB 50
-COORDS -1.2378330000e+00  1.0211220000e+00 -1.9038600000e-01 -2.0527150000e+00  5.9612500000e-01 -4.5792600000e-01 -6.2336700000e-01  2.9942800000e-01 -5.6891000000e-02  1.2578560000e+00 -9.5224200000e-01  2.6353100000e-01  1.8267720000e+00 -6.6403300000e-01 -4.5026300000e-01  5.3139400000e-01 -1.3969270000e+00 -1.7320700000e-01
-ENERGY -1.526554828821e+02
-FORCES  1.7929000000e-03 -3.9293000000e-03  1.8644000000e-03  4.1526000000e-03  6.2630000000e-04  9.0110000000e-04 -6.7721000000e-03  7.4230000000e-04 -4.3554000000e-03  3.7678000000e-03 -2.4518000000e-03 -4.9903000000e-03 -3.2227000000e-03 -1.7443000000e-03  3.6749000000e-03  2.8150000000e-04  6.7569000000e-03  2.9054000000e-03
-
-JOB 51
-COORDS  1.6003470000e+00 -4.6430000000e-02  2.6499500000e-01  1.6826660000e+00 -1.4519500000e-01  1.2135200000e+00  8.0434700000e-01 -5.2886000000e-01  4.1662000000e-02 -1.5629180000e+00  1.3912500000e-01 -2.6871700000e-01 -1.9098400000e+00 -3.2556000000e-02 -1.1441610000e+00 -1.1979770000e+00 -6.9955500000e-01  1.3534000000e-02
-ENERGY -1.526507939639e+02
-FORCES -4.9759000000e-03  5.1160000000e-04  2.4708000000e-03 -5.2700000000e-04 -9.2700000000e-05 -4.0895000000e-03  1.4223000000e-03 -2.5596000000e-03  1.6543000000e-03 -1.5827000000e-03 -2.9961000000e-03 -3.1090000000e-03  1.8228000000e-03  7.5660000000e-04  4.3406000000e-03  3.8405000000e-03  4.3803000000e-03 -1.2672000000e-03
-
-JOB 52
-COORDS -2.7372300000e-01  1.1272150000e+00 -1.1560830000e+00  2.7615500000e-01  4.6290300000e-01 -7.4068500000e-01 -9.5828700000e-01  6.2791300000e-01 -1.6013940000e+00  3.1549100000e-01 -1.0209540000e+00  1.1284890000e+00 -1.1655800000e-01 -1.7949120000e+00  7.6716500000e-01  9.5267000000e-02 -1.0360370000e+00  2.0598890000e+00
-ENERGY -1.526576173637e+02
-FORCES  2.2930000000e-04 -6.1397000000e-03  3.7820000000e-03 -1.8521000000e-03  3.8319000000e-03 -6.6497000000e-03  2.2291000000e-03  1.4977000000e-03  1.3259000000e-03 -3.2481000000e-03 -2.1434000000e-03  4.9898000000e-03  1.7875000000e-03  4.1732000000e-03  4.7780000000e-04  8.5430000000e-04 -1.2198000000e-03 -3.9259000000e-03
-
-JOB 53
-COORDS -1.5020600000e-01  1.3567170000e+00 -9.0410100000e-01 -7.0357000000e-02  6.1634100000e-01 -3.0268700000e-01  6.0401500000e-01  1.9110310000e+00 -7.0380500000e-01  8.6406000000e-02 -1.2849670000e+00  8.3107900000e-01 -4.9414200000e-01 -1.9313690000e+00  1.2327760000e+00  9.5401400000e-01 -1.6879000000e+00  8.6472500000e-01
-ENERGY -1.526605332779e+02
-FORCES  2.2638000000e-03 -3.9723000000e-03  4.9908000000e-03  4.4650000000e-04  8.1170000000e-03 -5.2221000000e-03 -2.2003000000e-03 -2.1373000000e-03 -7.0340000000e-04 -1.3710000000e-04 -5.8108000000e-03  2.0911000000e-03  3.5891000000e-03  1.9249000000e-03 -1.3679000000e-03 -3.9619000000e-03  1.8785000000e-03  2.1130000000e-04
-
-JOB 54
-COORDS -9.6596500000e-01  1.0574560000e+00  5.6884700000e-01 -1.2809280000e+00  1.7846240000e+00  3.1951000000e-02 -1.7378220000e+00  7.6519500000e-01  1.0536690000e+00  1.0667200000e+00 -1.0528170000e+00 -6.1636700000e-01  2.3280700000e-01 -7.8279500000e-01 -2.3177900000e-01  1.3094820000e+00 -1.8424560000e+00 -1.3286900000e-01
-ENERGY -1.526586306094e+02
-FORCES -4.2424000000e-03  5.3285000000e-03 -4.7330000000e-04  6.1310000000e-04 -3.1771000000e-03  3.1678000000e-03  4.0448000000e-03  2.2260000000e-04 -2.7061000000e-03 -3.8672000000e-03  1.6994000000e-03  4.4530000000e-03  4.8254000000e-03 -6.9787000000e-03 -3.0470000000e-03 -1.3737000000e-03  2.9053000000e-03 -1.3946000000e-03
-
-JOB 55
-COORDS -1.2667320000e+00 -1.0024410000e+00  1.2229500000e-01 -9.1609500000e-01 -1.1405900000e-01  5.8556000000e-02 -2.0398480000e+00 -9.1586300000e-01  6.7999300000e-01  1.2299350000e+00  9.2166700000e-01 -1.8000500000e-01  1.5614270000e+00  1.8177770000e+00 -2.3772300000e-01  1.8405150000e+00  4.7733800000e-01  4.0820900000e-01
-ENERGY -1.526593063440e+02
-FORCES  8.2120000000e-04  5.4554000000e-03  5.5720000000e-04 -6.3581000000e-03 -5.7903000000e-03  1.5563000000e-03  3.1072000000e-03  8.8400000000e-05 -1.8921000000e-03  6.1052000000e-03  1.1028000000e-03  1.7051000000e-03 -1.3500000000e-03 -4.0324000000e-03  5.9360000000e-04 -2.3255000000e-03  3.1760000000e-03 -2.5201000000e-03
-
-JOB 56
-COORDS  5.4675700000e-01  2.9956000000e-02  1.5461760000e+00  8.3080900000e-01  8.9137800000e-01  1.2403990000e+00 -4.0740400000e-01  5.2025000000e-02  1.4732310000e+00 -4.8940500000e-01 -4.0875000000e-02 -1.4727540000e+00 -5.1706200000e-01 -9.9761000000e-01 -1.4839470000e+00 -8.0264700000e-01  2.1842300000e-01 -2.3392850000e+00
-ENERGY -1.526560825004e+02
-FORCES -3.5506000000e-03  4.5599000000e-03 -5.7326000000e-03 -1.2100000000e-04 -2.5120000000e-03  3.2862000000e-03  3.3239000000e-03 -1.0345000000e-03  2.5748000000e-03 -9.0400000000e-05 -4.4117000000e-03 -3.4691000000e-03 -1.1725000000e-03  4.2862000000e-03 -7.0950000000e-04  1.6106000000e-03 -8.8790000000e-04  4.0501000000e-03
-
-JOB 57
-COORDS  6.6450000000e-01  1.0013890000e+00  1.0914490000e+00  1.1196080000e+00  7.3257100000e-01  1.8894750000e+00 -1.3319600000e-01  1.4292590000e+00  1.4026430000e+00 -6.1555400000e-01 -1.0591180000e+00 -1.1859170000e+00 -1.5383550000e+00 -8.1761300000e-01 -1.2655800000e+00 -2.5691600000e-01 -4.3259700000e-01 -5.5736200000e-01
-ENERGY -1.526593316452e+02
-FORCES  1.0729000000e-03  1.8703000000e-03  7.0876000000e-03 -2.3960000000e-03  2.0117000000e-03 -3.2439000000e-03  3.0880000000e-03 -2.9973000000e-03 -2.2983000000e-03  2.4830000000e-04  4.8251000000e-03  3.7310000000e-03  3.1505000000e-03 -5.7490000000e-04  6.8010000000e-04 -5.1637000000e-03 -5.1349000000e-03 -5.9565000000e-03
-
-JOB 58
-COORDS -5.6917400000e-01 -1.5706160000e+00  5.3403600000e-01 -6.1550000000e-03 -7.9848600000e-01  4.7874600000e-01 -1.2783880000e+00 -1.3952700000e+00 -8.4430000000e-02  5.1510200000e-01  1.5113780000e+00 -4.7083500000e-01  8.6924400000e-01  1.2416630000e+00 -1.3182250000e+00  1.2743800000e+00  1.8331710000e+00  1.5146000000e-02
-ENERGY -1.526587329685e+02
-FORCES -7.4820000000e-04  7.0894000000e-03 -2.8904000000e-03 -1.1315000000e-03 -7.2217000000e-03  1.5771000000e-03  2.2299000000e-03 -1.8865000000e-03  1.8227000000e-03  5.1059000000e-03  3.9513000000e-03 -2.8040000000e-03 -1.9283000000e-03  4.2250000000e-04  4.5164000000e-03 -3.5278000000e-03 -2.3549000000e-03 -2.2218000000e-03
-
-JOB 59
-COORDS -1.3253740000e+00 -1.0102410000e+00 -3.9598400000e-01 -6.1343800000e-01 -6.9132500000e-01 -9.5066500000e-01 -1.5523520000e+00 -1.8641590000e+00 -7.6413600000e-01  1.2979780000e+00  1.0787540000e+00  5.1429900000e-01  1.2150160000e+00  1.4159800000e+00 -3.7768100000e-01  1.3266610000e+00  1.2772800000e-01  4.0961700000e-01
-ENERGY -1.526526354831e+02
-FORCES  4.5190000000e-04 -1.8446000000e-03 -4.0704000000e-03 -1.2466000000e-03 -1.6168000000e-03  2.7278000000e-03  1.3046000000e-03  3.9483000000e-03  1.8618000000e-03 -7.3990000000e-04 -2.4057000000e-03 -2.2382000000e-03 -1.4700000000e-04 -2.5495000000e-03  3.2953000000e-03  3.7700000000e-04  4.4683000000e-03 -1.5762000000e-03
-
-JOB 60
-COORDS -1.0187910000e+00  3.4252700000e-01 -1.4694550000e+00 -1.0259910000e+00 -1.7693000000e-01 -6.6549900000e-01 -1.4965980000e+00  1.1406510000e+00 -1.2437770000e+00  1.0023980000e+00 -3.1053800000e-01  1.4048000000e+00  1.0470190000e+00 -1.1421900000e+00  9.3300000000e-01  1.7581960000e+00 -3.2685900000e-01  1.9919420000e+00
-ENERGY -1.526553237584e+02
-FORCES -8.9430000000e-04  2.3821000000e-03  6.0373000000e-03 -6.0300000000e-04  5.8600000000e-05 -4.6815000000e-03  1.2428000000e-03 -3.0168000000e-03 -1.6283000000e-03  5.1373000000e-03 -2.9386000000e-03  6.7230000000e-04 -1.8300000000e-03  3.5878000000e-03  2.0538000000e-03 -3.0528000000e-03 -7.3100000000e-05 -2.4536000000e-03
-
-JOB 61
-COORDS -1.6759300000e-01 -1.7387710000e+00 -6.5293000000e-01 -7.7544500000e-01 -1.0227730000e+00 -4.6828300000e-01  6.9331100000e-01 -1.3213350000e+00 -6.8161800000e-01  1.5406600000e-01  1.6019720000e+00  6.3779300000e-01  1.7901100000e-01  2.2332240000e+00 -8.1326000000e-02  1.2337500000e-01  2.1402710000e+00  1.4286940000e+00
-ENERGY -1.526574702478e+02
-FORCES  1.3901000000e-03  6.6239000000e-03  2.5585000000e-03  9.4370000000e-04 -4.5855000000e-03 -2.3773000000e-03 -2.6083000000e-03 -3.0127000000e-03 -1.3011000000e-03  2.8140000000e-04  6.0867000000e-03  1.8768000000e-03 -1.8210000000e-04 -3.2512000000e-03  2.9498000000e-03  1.7510000000e-04 -1.8611000000e-03 -3.7068000000e-03
-
-JOB 62
-COORDS  8.2853500000e-01  6.7577900000e-01 -1.4649450000e+00  5.3001400000e-01  1.0471360000e+00 -2.2951320000e+00  4.1678600000e-01  1.2223830000e+00 -7.9567700000e-01 -7.7940500000e-01 -6.9053900000e-01  1.5291700000e+00 -1.6010110000e+00 -8.4378500000e-01  1.0625750000e+00 -1.2540900000e-01 -1.1806650000e+00  1.0308760000e+00
-ENERGY -1.526570750454e+02
-FORCES -2.4950000000e-03  4.6903000000e-03 -2.8970000000e-04  9.1780000000e-04 -1.5300000000e-03  3.4932000000e-03  2.0377000000e-03 -2.2250000000e-03 -4.3055000000e-03 -1.8360000000e-04 -4.0556000000e-03 -4.3640000000e-03  3.0047000000e-03  1.1426000000e-03  2.0852000000e-03 -3.2815000000e-03  1.9777000000e-03  3.3809000000e-03
-
-JOB 63
-COORDS  7.6690400000e-01 -9.5689000000e-02 -1.7386550000e+00  8.2416000000e-02 -5.3608100000e-01 -2.2424040000e+00  7.0731400000e-01 -4.8127500000e-01 -8.6458200000e-01 -6.7164000000e-01  1.8226000000e-01  1.6980970000e+00 -8.6267300000e-01 -1.9968500000e-01  2.5547510000e+00 -1.3955480000e+00 -1.0377100000e-01  1.1409830000e+00
-ENERGY -1.526553701438e+02
-FORCES -2.0246000000e-03 -2.7881000000e-03  2.7296000000e-03  2.2472000000e-03  1.8128000000e-03  2.3589000000e-03 -1.7120000000e-04  5.0520000000e-04 -5.9873000000e-03 -4.8239000000e-03 -1.3315000000e-03  2.9568000000e-03  6.9660000000e-04  1.6556000000e-03 -3.8876000000e-03  4.0758000000e-03  1.4590000000e-04  1.8296000000e-03
-
-JOB 64
-COORDS  6.3615700000e-01 -1.0663600000e+00  1.4246470000e+00  7.9722200000e-01 -1.0643240000e+00  2.3681970000e+00  9.8147600000e-01 -1.9069740000e+00  1.1240560000e+00 -7.1121900000e-01  1.0831630000e+00 -1.5005270000e+00 -4.2522400000e-01  8.7628200000e-01 -6.1078600000e-01 -1.9780100000e-01  1.8532420000e+00 -1.7446830000e+00
-ENERGY -1.526572728216e+02
-FORCES  2.2317000000e-03 -4.7428000000e-03  3.0610000000e-03 -5.0310000000e-04 -1.0640000000e-04 -3.9908000000e-03 -1.2041000000e-03  3.5148000000e-03  1.8453000000e-03  3.5339000000e-03  1.2023000000e-03  3.8539000000e-03 -2.0897000000e-03  2.9290000000e-03 -5.5566000000e-03 -1.9687000000e-03 -2.7968000000e-03  7.8710000000e-04
-
-JOB 65
-COORDS -1.6632700000e-01 -2.7552900000e-01 -1.9538720000e+00 -1.0580530000e+00 -4.1887900000e-01 -2.2709040000e+00  3.5473900000e-01 -9.4963700000e-01 -2.3901060000e+00  1.4421600000e-01  3.6759100000e-01  2.0138590000e+00  9.8270000000e-02 -5.6431600000e-01  2.2275650000e+00  9.0046500000e-01  4.4337100000e-01  1.4319850000e+00
-ENERGY -1.526546334364e+02
-FORCES -2.6662000000e-03 -2.9068000000e-03 -3.4094000000e-03  3.9090000000e-03  3.1390000000e-04  9.0700000000e-04 -1.8822000000e-03  2.7549000000e-03  2.3297000000e-03  2.6002000000e-03 -3.4554000000e-03 -3.4742000000e-03  1.8290000000e-04  3.5011000000e-03 -2.3620000000e-04 -2.1437000000e-03 -2.0770000000e-04  3.8830000000e-03
-
-JOB 66
-COORDS  1.1157560000e+00 -1.5755550000e+00 -7.9712400000e-01  6.6927500000e-01 -1.1948380000e+00 -1.5533920000e+00  2.0136120000e+00 -1.2496560000e+00 -8.5938300000e-01 -1.1292370000e+00  1.5432580000e+00  8.9369700000e-01 -1.1882500000e+00  7.3952400000e-01  3.7720800000e-01 -1.2369840000e+00  2.2476650000e+00  2.5460900000e-01
-ENERGY -1.526543197165e+02
-FORCES  3.3445000000e-03  2.4278000000e-03 -3.2324000000e-03  9.4190000000e-04 -9.9820000000e-04  3.7483000000e-03 -3.8362000000e-03 -1.5960000000e-03 -1.4200000000e-04 -4.2180000000e-04 -1.3174000000e-03 -4.1497000000e-03 -6.7100000000e-04  4.4301000000e-03  1.4217000000e-03  6.4250000000e-04 -2.9464000000e-03  2.3541000000e-03
-
-JOB 67
-COORDS  1.1506610000e+00  9.8789300000e-01  1.5128180000e+00  9.4088200000e-01  2.3816000000e-01  9.5592900000e-01  1.7991100000e+00  6.5286400000e-01  2.1320930000e+00 -1.1838820000e+00 -8.6287800000e-01 -1.5315500000e+00 -7.1782500000e-01 -1.2531920000e+00 -7.9217300000e-01 -1.5184150000e+00 -1.6109280000e+00 -2.0262620000e+00
-ENERGY -1.526526287335e+02
-FORCES  1.9901000000e-03 -3.8502000000e-03 -6.9800000000e-05  4.3800000000e-04  1.8434000000e-03  2.5628000000e-03 -2.8506000000e-03  1.3454000000e-03 -2.6495000000e-03 -4.1990000000e-04 -5.1203000000e-03  4.0000000000e-04 -5.6980000000e-04  2.5024000000e-03 -2.3436000000e-03  1.4122000000e-03  3.2794000000e-03  2.1001000000e-03
-
-JOB 68
-COORDS  7.5418800000e-01  1.9553010000e+00  4.9114100000e-01  9.1484600000e-01  1.0214620000e+00  6.2665800000e-01  5.4952900000e-01  2.2926390000e+00  1.3632360000e+00 -7.4686000000e-01 -1.9656340000e+00 -5.0506600000e-01 -1.5244050000e+00 -1.4816130000e+00 -7.8323700000e-01 -4.2274000000e-02 -1.6251750000e+00 -1.0563170000e+00
-ENERGY -1.526554380803e+02
-FORCES -2.2280000000e-04 -2.5232000000e-03  4.9121000000e-03 -2.5580000000e-04  4.2863000000e-03 -1.4362000000e-03  8.6200000000e-04 -1.1729000000e-03 -3.5908000000e-03 -1.2037000000e-03  2.8899000000e-03 -4.4669000000e-03  3.2884000000e-03 -2.3090000000e-03  1.3595000000e-03 -2.4681000000e-03 -1.1711000000e-03  3.2223000000e-03
-
-JOB 69
-COORDS -6.0056000000e-01  1.3140060000e+00  1.6525730000e+00 -1.5360640000e+00  1.1660860000e+00  1.7910860000e+00 -4.6994400000e-01  2.2384810000e+00  1.8635600000e+00  6.2156000000e-01 -1.4168170000e+00 -1.6856180000e+00  4.1545300000e-01 -5.7286000000e-01 -2.0874740000e+00  1.2744850000e+00 -1.2110020000e+00 -1.0166180000e+00
-ENERGY -1.526551067685e+02
-FORCES -3.8822000000e-03  2.9031000000e-03  1.9046000000e-03  3.9184000000e-03  9.7110000000e-04 -4.8100000000e-04 -4.1070000000e-04 -3.8358000000e-03 -1.0943000000e-03  1.4836000000e-03  4.9587000000e-03  2.2653000000e-03  8.6960000000e-04 -3.5661000000e-03  7.8930000000e-04 -1.9788000000e-03 -1.4311000000e-03 -3.3839000000e-03
-
-JOB 70
-COORDS -1.1247400000e-01  1.8746680000e+00  1.2323960000e+00  2.2333700000e-01  2.3765150000e+00  1.9751020000e+00 -2.4682400000e-01  2.5258670000e+00  5.4383100000e-01  1.1091300000e-01 -1.9316480000e+00 -1.3003820000e+00  2.2987100000e-01 -2.7741800000e+00 -8.6195200000e-01 -1.9973900000e-01 -1.3443090000e+00 -6.1135500000e-01
-ENERGY -1.526557516731e+02
-FORCES  1.1199000000e-03  5.3304000000e-03  4.0600000000e-04 -1.4518000000e-03 -1.9343000000e-03 -3.0641000000e-03  4.5610000000e-04 -2.7578000000e-03  2.9954000000e-03 -6.8280000000e-04 -3.1710000000e-04  5.1858000000e-03 -4.5080000000e-04  3.1095000000e-03 -1.8359000000e-03  1.0094000000e-03 -3.4307000000e-03 -3.6873000000e-03
-
-JOB 71
-COORDS  2.4859000000e-01  1.4379220000e+00  1.7984790000e+00 -3.2514000000e-01  1.7171150000e+00  1.0849540000e+00  6.2477000000e-02  2.0507310000e+00  2.5098570000e+00 -2.6132500000e-01 -1.4912840000e+00 -1.7724400000e+00  2.5898200000e-01 -2.2497000000e+00 -2.0376160000e+00  2.9031800000e-01 -7.3720200000e-01 -1.9804820000e+00
-ENERGY -1.526541084149e+02
-FORCES -3.6794000000e-03  3.1826000000e-03  9.8500000000e-05  2.8413000000e-03 -6.3780000000e-04  2.7463000000e-03  8.2790000000e-04 -2.4800000000e-03 -2.8831000000e-03  4.9047000000e-03 -3.4500000000e-04 -1.3276000000e-03 -2.2087000000e-03  3.0340000000e-03  8.1160000000e-04 -2.6859000000e-03 -2.7538000000e-03  5.5420000000e-04
-
-JOB 72
-COORDS  1.4157000000e-01 -2.3568490000e+00 -5.2865700000e-01  1.0048700000e+00 -1.9818960000e+00 -7.0288500000e-01 -1.2798500000e-01 -2.7373110000e+00 -1.3646120000e+00 -1.6070100000e-01  2.3896490000e+00  6.4309000000e-01 -1.2175500000e-01  2.6502170000e+00 -2.7713800000e-01 -4.8570000000e-01  1.4895120000e+00  6.2408500000e-01
-ENERGY -1.526550259239e+02
-FORCES  2.8345000000e-03 -1.1526000000e-03 -4.1363000000e-03 -4.0056000000e-03 -1.1432000000e-03  6.3440000000e-04  1.1144000000e-03  1.8212000000e-03  3.4575000000e-03 -1.6455000000e-03 -2.9945000000e-03 -3.5603000000e-03  6.7800000000e-05 -9.9220000000e-04  3.5952000000e-03  1.6344000000e-03  4.4611000000e-03  9.4000000000e-06
-
-JOB 73
-COORDS  9.5345000000e-01  2.1130510000e+00 -6.4534500000e-01  1.3172040000e+00  2.2809300000e+00 -1.5146730000e+00  6.2110800000e-01  2.9628130000e+00 -3.5606200000e-01 -9.7014400000e-01 -2.2242370000e+00  7.1415800000e-01 -2.8627900000e-01 -1.5825850000e+00  9.0610500000e-01 -1.3884490000e+00 -1.8980650000e+00 -8.2626000000e-02
-ENERGY -1.526555334050e+02
-FORCES  4.7990000000e-04  4.7631000000e-03 -2.4383000000e-03 -1.6367000000e-03 -7.2830000000e-04  3.5938000000e-03  1.3546000000e-03 -3.5704000000e-03 -1.2851000000e-03  1.4923000000e-03  4.6802000000e-03 -2.6027000000e-03 -2.9562000000e-03 -3.3720000000e-03 -3.3820000000e-04  1.2662000000e-03 -1.7725000000e-03  3.0705000000e-03
-
-JOB 74
-COORDS -1.8846020000e+00  9.9929600000e-01 -1.2133210000e+00 -2.6526990000e+00  9.8485800000e-01 -1.7843300000e+00 -1.4210740000e+00  1.8621000000e-01 -1.4139830000e+00  1.9291010000e+00 -9.7269900000e-01  1.2055710000e+00  1.9903320000e+00 -1.1113500000e-01  1.6181110000e+00  1.3574380000e+00 -1.4762130000e+00  1.7851450000e+00
-ENERGY -1.526549226456e+02
-FORCES -7.8080000000e-04 -3.4868000000e-03 -3.3118000000e-03  3.0575000000e-03  3.8700000000e-05  2.3475000000e-03 -2.5659000000e-03  3.4424000000e-03  7.2870000000e-04 -1.9888000000e-03  1.9079000000e-03  4.3685000000e-03 -2.4000000000e-05 -3.7660000000e-03 -1.5842000000e-03  2.3021000000e-03  1.8638000000e-03 -2.5488000000e-03
-
-JOB 75
-COORDS -5.6215300000e-01  3.8793900000e-01 -2.5002970000e+00 -1.4998320000e+00  2.8684200000e-01 -2.3366810000e+00 -2.0150700000e-01  6.7362000000e-01 -1.6609210000e+00  6.1380100000e-01 -3.4772000000e-01  2.5002570000e+00 -8.6586000000e-02 -2.5114900000e-01  1.8549950000e+00  9.9484900000e-01 -1.2058730000e+00  2.3142260000e+00
-ENERGY -1.526536760047e+02
-FORCES -2.2744000000e-03  1.3882000000e-03  3.4629000000e-03  4.0466000000e-03  2.1420000000e-04 -3.1730000000e-04 -1.8608000000e-03 -1.8064000000e-03 -3.0865000000e-03 -1.1372000000e-03 -3.6837000000e-03 -2.8246000000e-03  2.9127000000e-03  1.3490000000e-04  2.0253000000e-03 -1.6868000000e-03  3.7528000000e-03  7.4010000000e-04
-
-JOB 76
-COORDS  2.0176900000e-01 -1.4450130000e+00  2.0381810000e+00 -1.3693600000e-01 -2.2912980000e+00  2.3302650000e+00  8.2964900000e-01 -1.1913770000e+00  2.7146920000e+00 -1.8338300000e-01  1.4783000000e+00 -2.0319770000e+00 -4.5008000000e-02  2.0852480000e+00 -2.7590930000e+00 -8.8897200000e-01  9.0405600000e-01 -2.3296690000e+00
-ENERGY -1.526534762722e+02
-FORCES  1.4957000000e-03 -1.9803000000e-03  3.8700000000e-03  1.2699000000e-03  3.4338000000e-03 -1.3179000000e-03 -2.6280000000e-03 -1.2525000000e-03 -2.5927000000e-03 -2.4706000000e-03 -3.9270000000e-04 -3.7658000000e-03 -4.7210000000e-04 -2.4097000000e-03  3.0147000000e-03  2.8051000000e-03  2.6014000000e-03  7.9160000000e-04
-
-JOB 77
-COORDS  2.4881300000e-01  1.8414870000e+00  1.8449510000e+00 -2.6053400000e-01  2.1294970000e+00  1.0874230000e+00  2.2377000000e-02  2.4630590000e+00  2.5367650000e+00 -1.7526800000e-01 -1.9482150000e+00 -1.8613390000e+00 -1.9969900000e-01 -1.0984690000e+00 -2.3013020000e+00 -7.1189900000e-01 -1.8283110000e+00 -1.0778330000e+00
-ENERGY -1.526539273932e+02
-FORCES -2.6863000000e-03  4.1078000000e-03  1.3730000000e-04  1.9192000000e-03 -1.6165000000e-03  2.8368000000e-03  8.8960000000e-04 -2.5922000000e-03 -2.9326000000e-03 -1.8874000000e-03  3.9054000000e-03  1.8776000000e-03 -1.0290000000e-04 -3.3243000000e-03  1.6743000000e-03  1.8680000000e-03 -4.8020000000e-04 -3.5935000000e-03
-
-JOB 78
-COORDS -3.5413700000e-01 -1.6946340000e+00 -2.0002150000e+00  2.9014800000e-01 -2.3804890000e+00 -2.1755200000e+00 -1.1996860000e+00 -2.1118140000e+00 -2.1652630000e+00  3.7672500000e-01  1.8201520000e+00  2.0402900000e+00  7.3283500000e-01  1.0193290000e+00  2.4251280000e+00 -1.2892600000e-01  1.5193220000e+00  1.2852730000e+00
-ENERGY -1.526550010916e+02
-FORCES -7.4790000000e-04 -4.7199000000e-03 -1.9821000000e-03 -2.7176000000e-03  2.7959000000e-03  8.5660000000e-04  3.5039000000e-03  1.7588000000e-03  8.4420000000e-04 -5.8270000000e-04 -4.7561000000e-03 -2.1386000000e-03 -1.3367000000e-03  3.2784000000e-03 -1.1741000000e-03  1.8810000000e-03  1.6428000000e-03  3.5940000000e-03
-
-JOB 79
-COORDS -1.4457500000e+00  2.0075530000e+00 -2.0756130000e+00 -6.3188000000e-01  1.5344090000e+00 -2.2487690000e+00 -2.1261270000e+00  1.4721110000e+00 -2.4838050000e+00  1.4341100000e+00 -1.9625770000e+00  2.1711540000e+00  1.1446000000e+00 -2.5887910000e+00  1.5076250000e+00  1.7990260000e+00 -1.2333250000e+00  1.6698970000e+00
-ENERGY -1.526537679268e+02
-FORCES  3.0680000000e-04 -3.9582000000e-03 -2.4725000000e-03 -3.1914000000e-03  1.7879000000e-03  8.7630000000e-04  2.8947000000e-03  2.1444000000e-03  1.6798000000e-03  2.4880000000e-04  5.4000000000e-04 -4.5598000000e-03  1.1941000000e-03  2.5839000000e-03  2.5956000000e-03 -1.4529000000e-03 -3.0978000000e-03  1.8806000000e-03
-
-JOB 80
-COORDS -1.0405480000e+00 -1.8635380000e+00  2.6202670000e+00 -3.4690600000e-01 -2.3361610000e+00  2.1601360000e+00 -1.8006430000e+00 -2.4430660000e+00  2.5689340000e+00  1.0592700000e+00  1.9795310000e+00 -2.6109950000e+00  2.7371200000e-01  1.4915850000e+00 -2.8580580000e+00  1.5683840000e+00  1.3637680000e+00 -2.0838600000e+00
-ENERGY -1.526539783944e+02
-FORCES -3.7370000000e-04 -4.3988000000e-03 -1.7647000000e-03 -2.8022000000e-03  2.0677000000e-03  1.6671000000e-03  3.1594000000e-03  2.3989000000e-03  1.1290000000e-04 -1.2646000000e-03 -4.3867000000e-03  1.4030000000e-03  3.2621000000e-03  1.9175000000e-03  8.6930000000e-04 -1.9810000000e-03  2.4015000000e-03 -2.2876000000e-03
-
-JOB 81
-COORDS  9.8738800000e-01  2.2384150000e+00 -2.9471550000e+00  1.0563540000e+00  1.9409500000e+00 -3.8543430000e+00  1.7586170000e+00  2.7900340000e+00 -2.8161820000e+00 -1.0510780000e+00 -2.3154530000e+00  2.9995580000e+00 -6.7153900000e-01 -1.6946290000e+00  3.6214580000e+00 -1.1168450000e+00 -1.8246740000e+00  2.1803870000e+00
-ENERGY -1.526543764274e+02
-FORCES  3.4462000000e-03  1.0878000000e-03 -3.3240000000e-03 -2.7640000000e-04  1.2146000000e-03  3.7353000000e-03 -3.1577000000e-03 -2.2716000000e-03 -4.7080000000e-04  1.2850000000e-03  4.6410000000e-03 -9.7140000000e-04 -1.5286000000e-03 -2.5645000000e-03 -2.4259000000e-03  2.3150000000e-04 -2.1072000000e-03  3.4567000000e-03
-
-JOB 82
-COORDS -1.8436190000e+00  9.6564400000e-01 -3.4125920000e+00 -1.7563320000e+00  1.4397000000e-02 -3.4737620000e+00 -1.1380470000e+00  1.2340320000e+00 -2.8240620000e+00  1.8122250000e+00 -9.8813300000e-01  3.3531240000e+00  2.3768010000e+00 -4.1459600000e-01  3.8713330000e+00  9.8104000000e-01 -5.1709600000e-01  3.2940630000e+00
-ENERGY -1.526541857370e+02
-FORCES  3.3129000000e-03 -2.8775000000e-03  2.0649000000e-03 -4.0690000000e-04  3.9179000000e-03  2.5860000000e-04 -2.9386000000e-03 -1.0151000000e-03 -2.3290000000e-03 -1.0548000000e-03  4.2144000000e-03  2.1190000000e-03 -2.3217000000e-03 -2.3274000000e-03 -2.1815000000e-03  3.4091000000e-03 -1.9122000000e-03  6.8000000000e-05
-
-JOB 83
-COORDS -1.0019170000e+00  3.8451990000e+00  3.2457300000e-01 -1.3429730000e+00  3.7271260000e+00 -5.6197700000e-01 -1.4120700000e-01  4.2448570000e+00  1.9934200000e-01  9.6382600000e-01 -3.7988510000e+00 -2.6142300000e-01  5.9048900000e-01 -4.3581070000e+00 -9.4265900000e-01  1.4327180000e+00 -4.4027030000e+00  3.1454200000e-01
-ENERGY -1.526539803184e+02
-FORCES  2.2217000000e-03  8.6660000000e-04 -4.1437000000e-03  1.3249000000e-03  6.1760000000e-04  3.5928000000e-03 -3.5318000000e-03 -1.5019000000e-03  5.2140000000e-04  3.2680000000e-04 -4.7281000000e-03 -3.1160000000e-04  1.5425000000e-03  2.2986000000e-03  2.7322000000e-03 -1.8840000000e-03  2.4471000000e-03 -2.3910000000e-03
-
-JOB 84
-COORDS -6.1505000000e-01 -2.9880950000e+00  2.7353930000e+00 -1.3421280000e+00 -3.4359170000e+00  2.3029060000e+00  1.1719600000e-01 -3.0745050000e+00  2.1249990000e+00  5.9631900000e-01  3.0706830000e+00 -2.7124590000e+00  9.2196400000e-01  3.0371890000e+00 -1.8129780000e+00  5.5476100000e-01  2.1546150000e+00 -2.9869120000e+00
-ENERGY -1.526540127161e+02
-FORCES -5.3000000000e-05 -2.3534000000e-03 -4.1214000000e-03  3.0215000000e-03  1.8857000000e-03  1.7171000000e-03 -2.9775000000e-03  4.9090000000e-04  2.4135000000e-03  1.1260000000e-03 -3.7888000000e-03  2.6263000000e-03 -1.2977000000e-03  8.9400000000e-05 -3.7375000000e-03  1.8070000000e-04  3.6762000000e-03  1.1021000000e-03
-
-JOB 85
-COORDS  6.5045200000e-01  4.2665640000e+00 -9.1578900000e-01  1.3582450000e+00  4.5589040000e+00 -1.4900690000e+00  4.0001000000e-02  5.0034910000e+00 -8.9301800000e-01 -6.4671900000e-01 -4.3475950000e+00  1.0077440000e+00 -1.4047000000e-02 -3.9297640000e+00  4.2347100000e-01 -1.4709610000e+00 -4.3293970000e+00  5.2140400000e-01
-ENERGY -1.526541532409e+02
-FORCES  4.1240000000e-04  4.2783000000e-03 -2.1690000000e-03 -2.8979000000e-03 -1.2352000000e-03  2.3143000000e-03  2.4850000000e-03 -3.0254000000e-03 -1.2730000000e-04 -7.6320000000e-04  1.9784000000e-03 -4.3480000000e-03 -2.5652000000e-03 -1.8337000000e-03  2.3554000000e-03  3.3288000000e-03 -1.6230000000e-04  1.9748000000e-03
-
-JOB 86
-COORDS  1.4977630000e+00  2.1521580000e+00  4.1641410000e+00  1.1262910000e+00  2.1028240000e+00  3.2833420000e+00  9.3441800000e-01  1.5882430000e+00  4.6941170000e+00 -1.4626720000e+00 -2.1301320000e+00 -4.2164200000e+00 -7.8732600000e-01 -1.6074370000e+00 -3.7840660000e+00 -1.9623400000e+00 -2.5181860000e+00 -3.4981040000e+00
-ENERGY -1.526539353636e+02
-FORCES -3.8088000000e-03 -2.4281000000e-03 -1.3415000000e-03  1.5125000000e-03  1.3640000000e-04  3.5440000000e-03  2.2986000000e-03  2.2775000000e-03 -2.2225000000e-03  7.3860000000e-04  4.9640000000e-04  4.6127000000e-03 -2.7907000000e-03 -2.1108000000e-03 -1.7023000000e-03  2.0497000000e-03  1.6285000000e-03 -2.8905000000e-03
-
-JOB 87
-COORDS -3.5405870000e+00  1.9458820000e+00  3.0132180000e+00 -2.8919420000e+00  1.9637510000e+00  3.7169030000e+00 -4.3128210000e+00  1.5417160000e+00  3.4088660000e+00  3.5402000000e+00 -1.9412030000e+00 -3.0119620000e+00  3.7910900000e+00 -1.0813420000e+00 -3.3494900000e+00  3.4264510000e+00 -2.4819680000e+00 -3.7935410000e+00
-ENERGY -1.526540619467e+02
-FORCES -4.3570000000e-04 -1.6512000000e-03  4.4627000000e-03 -2.6798000000e-03 -2.9500000000e-05 -2.8469000000e-03  3.1216000000e-03  1.6729000000e-03 -1.6091000000e-03  4.7360000000e-04  1.3544000000e-03 -4.5590000000e-03 -9.7280000000e-04 -3.5284000000e-03  1.3676000000e-03  4.9310000000e-04  2.1818000000e-03  3.1847000000e-03
-
-JOB 88
-COORDS  1.2332100000e-01 -4.9933400000e+00 -3.0369900000e+00  2.3638000000e-01 -5.9425410000e+00 -3.0866470000e+00  9.6377100000e-01 -4.6681030000e+00 -2.7143500000e+00 -2.2376700000e-01  4.9855240000e+00  3.0265090000e+00  6.8035100000e-01  4.7924960000e+00  3.2745880000e+00 -1.9856400000e-01  5.8891550000e+00  2.7117900000e+00
-ENERGY -1.526540214555e+02
-FORCES  3.8650000000e-03 -2.5211000000e-03  1.1487000000e-03 -4.5370000000e-04  3.8680000000e-03  1.9160000000e-04 -3.4091000000e-03 -1.3414000000e-03 -1.3349000000e-03  3.7664000000e-03  2.8937000000e-03 -2.9780000000e-04 -3.6769000000e-03  7.8430000000e-04 -1.0039000000e-03 -9.1500000000e-05 -3.6836000000e-03  1.2963000000e-03
-
-JOB 89
-COORDS  9.0823280000e+00  6.9525880000e+00 -1.2673520000e+00  9.1532110000e+00  7.8300800000e+00 -8.9156400000e-01  8.2834640000e+00  6.5909790000e+00 -8.8357300000e-01 -9.0243150000e+00 -6.9655400000e+00  1.2878060000e+00 -8.4180070000e+00 -7.0906370000e+00  5.5775700000e-01 -9.8916020000e+00 -7.0969790000e+00  9.0470100000e-01
-ENERGY -1.526540803452e+02
-FORCES -2.9696000000e-03  2.1032000000e-03  3.1032000000e-03 -2.8870000000e-04 -3.5784000000e-03 -1.5350000000e-03  3.2586000000e-03  1.4755000000e-03 -1.5684000000e-03 -1.0653000000e-03 -1.0524000000e-03 -4.5418000000e-03 -2.4728000000e-03  5.1350000000e-04  2.9788000000e-03  3.5378000000e-03  5.3860000000e-04  1.5632000000e-03
-
-JOB 0
-COORDS  4.3844100000e-01 -1.0751980000e+00  6.2896000000e-01  1.8480900000e-01 -2.0896800000e-01  3.1029300000e-01  1.0761900000e+00 -8.9917400000e-01  1.3207140000e+00 -4.0385300000e-01  9.7219000000e-01 -6.5390300000e-01 -4.4609500000e-01  1.7703260000e+00 -1.2719000000e-01 -1.2639050000e+00  9.1341300000e-01 -1.0699420000e+00
-ENERGY -1.526561717585e+02
-FORCES -6.5325000000e-03  1.6412100000e-02 -1.1429900000e-02  4.0551000000e-03 -4.1279000000e-03  7.7110000000e-03 -2.7039000000e-03  2.9533000000e-03 -2.8529000000e-03 -6.6100000000e-05 -1.1264600000e-02  5.3868000000e-03  7.0820000000e-04 -6.4076000000e-03 -1.2170000000e-03  4.5393000000e-03  2.4348000000e-03  2.4020000000e-03
-
-JOB 1
-COORDS  5.4425700000e-01  1.0229540000e+00  6.1960700000e-01  3.1166200000e-01  1.3133700000e-01  3.6047000000e-01  1.4141070000e+00  9.4009400000e-01  1.0104100000e+00 -5.7740600000e-01 -9.2671500000e-01 -5.7601300000e-01 -5.4866600000e-01 -6.2721400000e-01 -1.4846960000e+00 -7.0214700000e-01 -1.8736420000e+00 -6.3926400000e-01
-ENERGY -1.526578919443e+02
-FORCES -7.4147000000e-03 -1.4910800000e-02 -6.7825000000e-03  4.4505000000e-03  6.7446000000e-03  2.0565000000e-03 -3.0517000000e-03 -2.4736000000e-03 -1.9381000000e-03  5.3217000000e-03  9.3152000000e-03  3.1132000000e-03 -2.3650000000e-04 -3.7540000000e-03  4.5572000000e-03  9.3070000000e-04  5.0787000000e-03 -1.0063000000e-03
-
-JOB 2
-COORDS  7.4581000000e-02  7.8485000000e-02 -1.2515040000e+00  5.0241200000e-01 -6.2460200000e-01 -1.7402390000e+00  7.1958200000e-01  7.8552000000e-01 -1.2339900000e+00 -9.5639000000e-02 -1.1253900000e-01  1.2943120000e+00 -3.1543700000e-01  1.8543200000e-01  4.1162700000e-01 -7.6116500000e-01  2.8626200000e-01  1.8549060000e+00
-ENERGY -1.526562147481e+02
-FORCES  3.3371000000e-03 -5.8088000000e-03  1.2116800000e-02 -7.9140000000e-04  4.8518000000e-03  5.0760000000e-04 -4.6372000000e-03 -3.7350000000e-03  2.0830000000e-03 -1.1910000000e-04 -1.0389000000e-03 -1.7409100000e-02  7.3660000000e-04  5.9040000000e-03  7.9365000000e-03  1.4740000000e-03 -1.7310000000e-04 -5.2347000000e-03
-
-JOB 3
-COORDS  4.1638500000e-01  1.1532820000e+00 -1.4126500000e-01  9.0292000000e-02  1.6196720000e+00 -9.1092500000e-01  1.0165080000e+00  1.7706270000e+00  2.7702700000e-01 -4.5483000000e-01 -1.2372060000e+00  2.1811600000e-01 -3.0894200000e-01 -1.6783470000e+00 -6.1874900000e-01 -1.9004400000e-01 -3.3087400000e-01  6.1011000000e-02
-ENERGY -1.526566110811e+02
-FORCES -3.3169000000e-03 -1.2323100000e-02  4.0369000000e-03  2.5648000000e-03 -2.6981000000e-03  4.0860000000e-03 -3.4608000000e-03 -1.0013000000e-03 -4.3230000000e-03  8.5707000000e-03  1.7914700000e-02 -2.9185000000e-03 -3.1740000000e-04  2.9478000000e-03  1.3458000000e-03 -4.0405000000e-03 -4.8400000000e-03 -2.2272000000e-03
-
-JOB 4
-COORDS -2.6690600000e-01 -3.3635500000e-01  1.1702940000e+00 -9.5712500000e-01 -8.2338000000e-01  1.6204450000e+00  5.4793400000e-01 -7.2136800000e-01  1.4928330000e+00  2.6668000000e-01  3.5950400000e-01 -1.2798510000e+00  2.3825200000e-01 -7.2476000000e-02 -4.2614400000e-01  1.9974000000e-01  1.2929600000e+00 -1.0788270000e+00
-ENERGY -1.526559154421e+02
-FORCES -1.4456000000e-03  3.9050000000e-04 -8.8124000000e-03  4.8339000000e-03  2.5032000000e-03 -6.8940000000e-04 -4.7205000000e-03  2.1952000000e-03 -5.5266000000e-03 -6.9728000000e-03 -2.3423000000e-03  1.8951700000e-02  7.7962000000e-03 -8.2400000000e-04 -2.8957000000e-03  5.0880000000e-04 -1.9227000000e-03 -1.0276000000e-03
-
-JOB 5
-COORDS  4.0106300000e-01  1.0486570000e+00 -7.4637200000e-01  1.3454440000e+00  1.1953380000e+00 -7.9986100000e-01  2.9829800000e-01  3.9717800000e-01 -5.2652000000e-02 -4.8362300000e-01 -9.7135700000e-01  7.4049200000e-01 -7.5874600000e-01 -1.4050910000e+00 -6.7230000000e-02  3.5669300000e-01 -1.3759430000e+00  9.5592300000e-01
-ENERGY -1.526569480710e+02
-FORCES -5.2548000000e-03 -1.0314200000e-02  1.0853300000e-02 -3.2141000000e-03 -3.2594000000e-03  2.1503000000e-03  7.7815000000e-03  4.2292000000e-03 -7.0786000000e-03  6.9520000000e-04  1.0000000000e-05 -7.3100000000e-03  2.8641000000e-03  2.7550000000e-03  4.9348000000e-03 -2.8718000000e-03  6.5793000000e-03 -3.5497000000e-03
-
-JOB 6
-COORDS -6.4689100000e-01 -6.3823900000e-01  9.0602600000e-01 -1.8947100000e-01 -1.1950750000e+00  1.5360510000e+00 -1.1746430000e+00 -1.2457120000e+00  3.8767600000e-01  6.2293900000e-01  7.6809800000e-01 -9.2815100000e-01  1.3688590000e+00  3.5580800000e-01 -1.3638710000e+00  3.7249400000e-01  1.4821300000e-01 -2.4313100000e-01
-ENERGY -1.526585151470e+02
-FORCES  7.5190000000e-04  8.9140000000e-04 -4.4691000000e-03 -1.5472000000e-03  2.8001000000e-03 -5.1428000000e-03  4.6800000000e-03  2.8560000000e-03  2.8601000000e-03 -6.8231000000e-03 -8.8241000000e-03  1.2371300000e-02 -3.0850000000e-03 -7.9720000000e-04  3.0858000000e-03  6.0233000000e-03  3.0738000000e-03 -8.7053000000e-03
-
-JOB 7
-COORDS  3.3180000000e-02 -8.1150300000e-01  1.0062970000e+00  8.7305700000e-01 -1.2453310000e+00  8.5585600000e-01 -8.6715000000e-02 -8.4324400000e-01  1.9554280000e+00 -1.1224200000e-01  8.7650200000e-01 -1.0822840000e+00 -3.4318600000e-01  3.3263100000e-01 -3.2922200000e-01  8.2042500000e-01  7.1142000000e-01 -1.2205270000e+00
-ENERGY -1.526578591003e+02
-FORCES  1.9933000000e-03  3.8413000000e-03 -3.1472000000e-03 -3.7925000000e-03  2.8674000000e-03  1.1083000000e-03  1.8659000000e-03 -6.6740000000e-04 -4.6303000000e-03  2.7140000000e-03 -9.4097000000e-03  1.2870300000e-02 -1.0057000000e-03  3.6063000000e-03 -6.2182000000e-03 -1.7750000000e-03 -2.3780000000e-04  1.7200000000e-05
-
-JOB 8
-COORDS -3.7054500000e-01 -1.0222420000e+00 -7.9732700000e-01 -2.5080800000e-01 -7.2834700000e-01 -1.7003890000e+00  5.0423700000e-01 -1.2873550000e+00 -5.1324400000e-01  3.6132400000e-01  1.0670130000e+00  8.4351000000e-01 -2.8412100000e-01  7.8876900000e-01  1.4932880000e+00  1.3945200000e-01  5.6939700000e-01  5.6501000000e-02
-ENERGY -1.526576891132e+02
-FORCES  4.0105000000e-03 -9.6000000000e-04  5.5230000000e-04  4.0680000000e-04  1.1519000000e-03  6.8772000000e-03 -5.3905000000e-03  5.2283000000e-03 -1.2071000000e-03 -9.4708000000e-03 -1.0999000000e-02 -6.7298000000e-03  2.7239000000e-03  1.2376000000e-03 -6.8500000000e-04  7.7201000000e-03  4.3412000000e-03  1.1925000000e-03
-
-JOB 9
-COORDS  5.6313500000e-01  8.1857400000e-01 -8.3894000000e-01  1.1124320000e+00  3.2913000000e-01 -1.4512710000e+00  4.0203000000e-01  1.6545280000e+00 -1.2765000000e+00 -5.8769300000e-01 -8.4842200000e-01  9.6387700000e-01 -3.0884000000e-02 -2.4037000000e-01  4.7759600000e-01 -1.0817600000e+00 -1.3136450000e+00  2.8882300000e-01
-ENERGY -1.526589915167e+02
-FORCES -3.1072000000e-03 -1.1066000000e-03  2.1712000000e-03 -3.7247000000e-03  2.4357000000e-03  3.0101000000e-03  1.9251000000e-03 -4.6877000000e-03  1.1710000000e-04  3.5482000000e-03  9.1706000000e-03 -1.1489600000e-02 -2.1200000000e-05 -6.1873000000e-03  4.4640000000e-03  1.3797000000e-03  3.7540000000e-04  1.7271000000e-03
-
-JOB 10
-COORDS  2.7629000000e-02  1.3067460000e+00 -7.5106000000e-02  6.2312400000e-01  1.9882280000e+00  2.3666400000e-01  6.8606000000e-02  1.3703930000e+00 -1.0293080000e+00 -7.0542000000e-02 -1.4013000000e+00  5.9515000000e-02  2.1629100000e-01 -4.8843300000e-01  3.4333000000e-02 -3.0862200000e-01 -1.5529020000e+00  9.7415500000e-01
-ENERGY -1.526594299049e+02
-FORCES  3.6930000000e-04 -1.3551000000e-03 -2.0159000000e-03 -3.2477000000e-03 -3.6522000000e-03 -2.0500000000e-03  1.4572000000e-03 -1.6692000000e-03  6.2192000000e-03 -4.0540000000e-04  1.4902700000e-02  3.6836000000e-03  7.8780000000e-04 -8.5112000000e-03 -3.6515000000e-03  1.0388000000e-03  2.8510000000e-04 -2.1855000000e-03
-
-JOB 11
-COORDS  9.2390800000e-01 -3.3141000000e-01  8.7317000000e-01  1.6759140000e+00 -6.0284100000e-01  3.4681900000e-01  1.0346590000e+00 -7.9160300000e-01  1.7051480000e+00 -9.5129900000e-01  4.0482700000e-01 -9.3749500000e-01 -1.7747050000e+00 -6.5007000000e-02 -8.0524200000e-01 -4.3952200000e-01  2.1840900000e-01 -1.5037100000e-01
-ENERGY -1.526604487570e+02
-FORCES -1.4853000000e-03 -9.1150000000e-04 -4.1421000000e-03 -3.1458000000e-03  6.7930000000e-04  4.3153000000e-03  5.2930000000e-04  1.3158000000e-03 -4.5033000000e-03  6.8516000000e-03 -4.8579000000e-03  1.0413500000e-02  2.7534000000e-03  9.4170000000e-04  6.0670000000e-04 -5.5032000000e-03  2.8325000000e-03 -6.6901000000e-03
-
-JOB 12
-COORDS  2.8875900000e-01 -1.0717900000e-01  1.3752630000e+00  1.9739400000e-01  7.8241800000e-01  1.7165850000e+00  2.1329400000e-01 -8.9810000000e-03  4.2610800000e-01 -2.7567600000e-01  1.0279200000e-01 -1.3053980000e+00  3.5993500000e-01 -1.2462200000e-01 -1.9840100000e+00 -9.2327400000e-01 -6.0135200000e-01 -1.3374820000e+00
-ENERGY -1.526614317572e+02
-FORCES -2.1990000000e-03  4.4945000000e-03 -1.3463100000e-02  2.0160000000e-04 -2.3324000000e-03 -1.4873000000e-03  8.8700000000e-04 -2.9571000000e-03  1.0120200000e-02  4.5000000000e-06 -3.3455000000e-03  5.2850000000e-04 -3.7201000000e-03  4.9970000000e-04  3.7096000000e-03  4.8260000000e-03  3.6409000000e-03  5.9220000000e-04
-
-JOB 13
-COORDS -9.8135500000e-01 -1.0433860000e+00  9.3122000000e-02 -2.2698700000e-01 -4.6739700000e-01 -3.0958000000e-02 -1.7172630000e+00 -4.4788700000e-01  2.3473100000e-01  9.7668200000e-01  9.0712400000e-01 -1.1936500000e-01  9.9710500000e-01  1.1921810000e+00  7.9417600000e-01  1.0934370000e+00  1.7117560000e+00 -6.2450500000e-01
-ENERGY -1.526598558201e+02
-FORCES  7.1003000000e-03  1.1114800000e-02 -2.9584000000e-03 -4.8682000000e-03 -6.4128000000e-03  4.3906000000e-03  1.9583000000e-03 -1.4714000000e-03  1.6470000000e-04 -2.3733000000e-03  1.2110000000e-03 -2.8210000000e-04 -1.5934000000e-03 -1.5981000000e-03 -5.3836000000e-03 -2.2370000000e-04 -2.8434000000e-03  4.0688000000e-03
-
-JOB 14
-COORDS  2.3797800000e-01  1.1645090000e+00 -6.1869200000e-01  1.1236280000e+00  1.4349050000e+00 -8.6105700000e-01 -5.0320000000e-02  1.8244370000e+00  1.1872000000e-02 -2.3107100000e-01 -1.2763300000e+00  5.8959800000e-01 -1.8217400000e-01 -4.4306700000e-01  1.2107400000e-01 -9.8303700000e-01 -1.1793620000e+00  1.1738730000e+00
-ENERGY -1.526601247924e+02
-FORCES  3.8864000000e-03 -9.3250000000e-04  2.9536000000e-03 -4.8039000000e-03  3.4330000000e-04  1.4796000000e-03  1.2956000000e-03 -4.4226000000e-03 -2.6423000000e-03  8.5530000000e-04  1.1498200000e-02 -5.8820000000e-03 -3.6856000000e-03 -8.0635000000e-03  6.0525000000e-03  2.4522000000e-03  1.5771000000e-03 -1.9614000000e-03
-
-JOB 15
-COORDS  2.1197900000e-01  1.0578230000e+00 -9.4961800000e-01 -6.9376100000e-01  1.0318210000e+00 -1.2581510000e+00  1.9750400000e-01  5.7701800000e-01 -1.2206200000e-01 -1.2517900000e-01 -9.7218100000e-01  9.0727700000e-01 -1.0729360000e+00 -1.1059040000e+00  9.1759400000e-01  2.4008700000e-01 -1.8249570000e+00  1.1430430000e+00
-ENERGY -1.526580639712e+02
-FORCES -2.6864000000e-03 -9.9559000000e-03  7.4692000000e-03  2.0811000000e-03 -2.2650000000e-04  1.3300000000e-03 -1.2738000000e-03  7.1634000000e-03 -3.9544000000e-03  6.3090000000e-04 -1.3886000000e-03 -3.3840000000e-03  4.6752000000e-03  1.2602000000e-03 -8.2290000000e-04 -3.4269000000e-03  3.1473000000e-03 -6.3800000000e-04
-
-JOB 16
-COORDS  2.6059200000e-01  1.2914590000e+00 -2.7797200000e-01  6.7719400000e-01  1.3952760000e+00 -1.1334820000e+00 -3.4560800000e-01  2.0295630000e+00 -2.1508600000e-01 -2.8605600000e-01 -1.3511610000e+00  3.8046700000e-01  9.1303000000e-02 -2.0036950000e+00 -2.0947500000e-01 -9.7710000000e-03 -5.1014600000e-01  1.6335000000e-02
-ENERGY -1.526598563198e+02
-FORCES -3.6735000000e-03  9.9780000000e-04 -4.5800000000e-05 -2.7562000000e-03 -2.0483000000e-03  4.2877000000e-03  4.1460000000e-03 -2.3833000000e-03 -1.5596000000e-03  2.7555000000e-03  1.0501200000e-02 -3.1750000000e-03 -5.3090000000e-04  3.6858000000e-03  7.9840000000e-04  5.9000000000e-05 -1.0753300000e-02 -3.0580000000e-04
-
-JOB 17
-COORDS -2.2619100000e-01 -1.4677500000e-01 -1.3390290000e+00 -6.9973700000e-01 -9.7619100000e-01 -1.2753530000e+00  4.1576300000e-01 -2.8972400000e-01 -2.0345090000e+00  2.6703900000e-01  1.5714400000e-01  1.3602970000e+00 -4.2648100000e-01  4.6487300000e-01  7.7671800000e-01  1.1208000000e-01  6.2141500000e-01  2.1828970000e+00
-ENERGY -1.526561621896e+02
-FORCES  4.9184000000e-03 -3.8583000000e-03  9.9130000000e-04  1.1046000000e-03  4.4820000000e-03  9.0200000000e-05 -3.2052000000e-03 -2.1320000000e-04  1.9026000000e-03 -2.6962000000e-03  2.3848000000e-03 -5.9034000000e-03 -4.7060000000e-04 -1.3590000000e-03  7.4290000000e-03  3.4900000000e-04 -1.4363000000e-03 -4.5096000000e-03
-
-JOB 18
-COORDS -3.3451100000e-01  1.2228260000e+00 -7.5305200000e-01 -3.5430900000e-01  4.0400300000e-01 -1.2484000000e+00  2.8214900000e-01  1.0570780000e+00 -3.9967000000e-02  2.6551800000e-01 -1.1211940000e+00  6.9657700000e-01 -9.5394000000e-02 -1.6791650000e+00  1.3855210000e+00  1.2130770000e+00 -1.2383830000e+00  7.6462500000e-01
-ENERGY -1.526562600632e+02
-FORCES  1.6551000000e-03 -1.2037100000e-02  6.2262000000e-03 -1.0750000000e-04  4.1331000000e-03 -2.0801000000e-03  1.6107000000e-03  4.5011000000e-03 -2.5058000000e-03 -5.2160000000e-04 -1.7658000000e-03  2.5782000000e-03  2.2864000000e-03  2.3734000000e-03 -3.3227000000e-03 -4.9230000000e-03  2.7953000000e-03 -8.9580000000e-04
-
-JOB 19
-COORDS -6.2457700000e-01 -9.9926200000e-01  8.3338700000e-01 -1.0342090000e+00 -6.3422400000e-01  1.6177220000e+00 -1.1981900000e-01 -2.7349800000e-01  4.6634700000e-01  5.9430800000e-01  9.7140900000e-01 -7.9940700000e-01  1.7190300000e-01  8.4008800000e-01 -1.6482650000e+00  1.4479530000e+00  5.4753200000e-01 -8.8800100000e-01
-ENERGY -1.526612679991e+02
-FORCES  3.3559000000e-03  1.0105400000e-02 -4.1068000000e-03  1.5837000000e-03 -3.4620000000e-04 -2.8113000000e-03 -1.7019000000e-03 -8.9814000000e-03  6.2571000000e-03 -5.1730000000e-04 -2.4901000000e-03 -5.2416000000e-03  3.1388000000e-03  8.5410000000e-04  4.0322000000e-03 -5.8592000000e-03  8.5810000000e-04  1.8703000000e-03
-
-JOB 20
-COORDS  5.4028800000e-01 -8.4898500000e-01  9.3115700000e-01  1.2306700000e+00 -4.6910600000e-01  1.4745690000e+00  1.8799000000e-02 -1.3742160000e+00  1.5381280000e+00 -5.9038100000e-01  9.0872200000e-01 -9.9708000000e-01 -4.5161300000e-01  3.0390800000e-01 -2.6826200000e-01 -2.5487000000e-02  5.7708600000e-01 -1.6950360000e+00
-ENERGY -1.526611396952e+02
-FORCES  1.7488000000e-03  1.4119000000e-03  2.9432000000e-03 -3.5322000000e-03 -2.9448000000e-03 -1.9853000000e-03  2.4672000000e-03  3.4913000000e-03 -2.9861000000e-03  6.4595000000e-03 -9.0303000000e-03  5.8830000000e-03 -5.5756000000e-03  5.4066000000e-03 -5.1888000000e-03 -1.5677000000e-03  1.6653000000e-03  1.3339000000e-03
-
-JOB 21
-COORDS -8.8639000000e-01  4.8938000000e-02 -1.1191670000e+00 -4.8280000000e-01  8.6279500000e-01 -1.4208020000e+00 -1.5016760000e+00  3.2375300000e-01 -4.3936400000e-01  9.1511800000e-01 -1.7772200000e-01  1.1325020000e+00  6.5613900000e-01 -8.0385000000e-02  2.1615800000e-01  9.5724600000e-01  7.1833900000e-01  1.4664660000e+00
-ENERGY -1.526569736041e+02
-FORCES -4.5880000000e-03  3.2540000000e-03  2.7459000000e-03  9.1440000000e-04 -5.1709000000e-03  4.8105000000e-03  4.0981000000e-03 -3.0940000000e-04 -3.8520000000e-03 -4.5411000000e-03  1.6795000000e-03 -8.0526000000e-03  5.6830000000e-03  3.3944000000e-03  6.6250000000e-03 -1.5665000000e-03 -2.8476000000e-03 -2.2768000000e-03
-
-JOB 22
-COORDS  7.3361700000e-01 -3.6424000000e-02  1.1985170000e+00  1.5290310000e+00 -4.9447100000e-01  9.2696300000e-01  3.2975700000e-01 -6.1806600000e-01  1.8425830000e+00 -7.8209000000e-01  4.6949000000e-02 -1.2573720000e+00 -2.4971400000e-01 -7.4873000000e-02 -4.7126300000e-01 -8.5328800000e-01  9.9657300000e-01 -1.3542110000e+00
-ENERGY -1.526615067496e+02
-FORCES  1.4149000000e-03 -3.2110000000e-03  3.2131000000e-03 -5.6788000000e-03  2.0687000000e-03  2.2430000000e-04  2.5203000000e-03  2.6242000000e-03 -3.9473000000e-03  5.3974000000e-03  3.4880000000e-03  1.0204600000e-02 -3.7597000000e-03 -2.2308000000e-03 -9.5655000000e-03  1.0600000000e-04 -2.7391000000e-03 -1.2920000000e-04
-
-JOB 23
-COORDS  4.7317000000e-01  1.1247890000e+00  7.4348100000e-01  4.7356000000e-01  6.1187000000e-01  1.5516550000e+00 -3.1132600000e-01  1.6697250000e+00  8.0547100000e-01 -4.8561100000e-01 -1.1460430000e+00 -8.2994200000e-01  3.5353400000e-01 -1.6056400000e+00 -8.0096400000e-01 -3.5485300000e-01 -3.7287100000e-01 -2.8099900000e-01
-ENERGY -1.526592839796e+02
-FORCES -1.0358000000e-03  2.7779000000e-03  4.4538000000e-03 -1.0688000000e-03  9.8140000000e-04 -6.3556000000e-03  3.5388000000e-03 -5.0910000000e-03 -1.0901000000e-03  7.7033000000e-03  8.1646000000e-03  4.3279000000e-03 -2.8677000000e-03  5.3370000000e-04  3.9290000000e-04 -6.2697000000e-03 -7.3666000000e-03 -1.7289000000e-03
-
-JOB 24
-COORDS  1.2141400000e+00 -4.9243400000e-01 -5.1948200000e-01  1.8982910000e+00  4.1317000000e-02 -1.1540300000e-01  1.2557390000e+00 -2.7171400000e-01 -1.4499570000e+00 -1.3140640000e+00  4.5283600000e-01  5.1960100000e-01 -1.1736900000e+00  5.3865900000e-01  1.4625550000e+00 -4.3947800000e-01  3.0666300000e-01  1.5909600000e-01
-ENERGY -1.526601087894e+02
-FORCES  3.7707000000e-03  5.4420000000e-04 -3.2194000000e-03 -5.3840000000e-03 -1.8688000000e-03 -1.5022000000e-03 -5.9000000000e-04 -2.4900000000e-04  5.6736000000e-03  1.0079000000e-02 -4.8286000000e-03 -1.1740000000e-03  3.7280000000e-04  2.0600000000e-05 -2.9672000000e-03 -8.2485000000e-03  6.3816000000e-03  3.1894000000e-03
-
-JOB 25
-COORDS  8.7750200000e-01  9.9425200000e-01  7.1616600000e-01  1.3902090000e+00  5.9052400000e-01  1.5905000000e-02 -1.9180000000e-03  6.3170000000e-01  6.0935400000e-01 -9.1250000000e-01 -9.2662900000e-01 -6.3730800000e-01 -2.5205400000e-01 -1.5339050000e+00 -3.0375400000e-01 -6.2382000000e-01 -7.2304500000e-01 -1.5269420000e+00
-ENERGY -1.526573984200e+02
-FORCES -6.4733000000e-03 -5.8750000000e-03 -6.3275000000e-03 -4.9880000000e-04  4.1100000000e-04  1.8331000000e-03  5.5455000000e-03  3.5525000000e-03  4.1003000000e-03  3.7342000000e-03 -2.5250000000e-03 -3.1950000000e-03 -2.2649000000e-03  5.0363000000e-03 -1.4942000000e-03 -4.2700000000e-05 -5.9980000000e-04  5.0832000000e-03
-
-JOB 26
-COORDS -6.6587700000e-01 -2.9492600000e-01 -1.1789270000e+00 -1.6499800000e-01 -4.4587100000e-01 -1.9805300000e+00 -1.4355870000e+00 -8.5701100000e-01 -1.2674650000e+00  7.5536900000e-01  3.2858500000e-01  1.2537350000e+00  2.7362600000e-01  5.6208000000e-02  4.7273100000e-01  1.0892000000e-01  7.9441100000e-01  1.7841520000e+00
-ENERGY -1.526617588303e+02
-FORCES  5.7000000000e-05 -2.3750000000e-03 -2.4953000000e-03 -3.3853000000e-03  2.6600000000e-05  3.5824000000e-03  3.7453000000e-03  2.7962000000e-03 -3.9150000000e-04 -7.2653000000e-03 -6.6210000000e-04 -7.6382000000e-03  5.3288000000e-03  1.9203000000e-03  8.4557000000e-03  1.5197000000e-03 -1.7060000000e-03 -1.5131000000e-03
-
-JOB 27
-COORDS -1.3318830000e+00  2.7339300000e-01  6.9759200000e-01 -1.0750600000e+00 -2.6896300000e-01 -4.8145000000e-02 -5.0725500000e-01  4.8747500000e-01  1.1339270000e+00  1.2927510000e+00 -2.2681500000e-01 -6.2602300000e-01  1.0011480000e+00  2.3168400000e-01 -1.4140450000e+00  1.1273450000e+00 -1.1512550000e+00 -8.1117800000e-01
-ENERGY -1.526561823310e+02
-FORCES  1.1241900000e-02 -1.5722000000e-03 -2.7169000000e-03 -3.7479000000e-03 -3.1820000000e-04 -4.5620000000e-04 -5.1783000000e-03  6.6320000000e-04  1.5439000000e-03 -5.3380000000e-04 -8.1330000000e-04 -4.1755000000e-03  9.5000000000e-06 -3.1107000000e-03  4.3401000000e-03 -1.7914000000e-03  5.1512000000e-03  1.4647000000e-03
-
-JOB 28
-COORDS  2.6855900000e-01  3.4286500000e-01  1.3501180000e+00 -3.9985300000e-01  5.7766500000e-01  1.9938000000e+00  6.7843100000e-01 -4.4536600000e-01  1.7063880000e+00 -2.6437800000e-01 -2.7894600000e-01 -1.4622460000e+00 -1.1926600000e-01 -1.2221160000e+00 -1.3873760000e+00 -2.4099400000e-01  3.9831000000e-02 -5.5998900000e-01
-ENERGY -1.526604619383e+02
-FORCES  7.4700000000e-05 -1.9476000000e-03  4.3485000000e-03  3.4550000000e-03 -1.8247000000e-03 -3.2048000000e-03 -2.9130000000e-03  3.4959000000e-03 -2.0267000000e-03  2.0596000000e-03  1.9900000000e-04  1.0312500000e-02 -1.4350000000e-04  2.5622000000e-03  3.6300000000e-05 -2.5328000000e-03 -2.4849000000e-03 -9.4657000000e-03
-
-JOB 29
-COORDS -5.8545700000e-01  2.0101600000e-01 -1.2705020000e+00 -7.6942900000e-01  8.8724200000e-01 -1.9119690000e+00  8.6468000000e-02 -3.4060000000e-01 -1.6845070000e+00  5.8537600000e-01 -1.7892000000e-01  1.3889320000e+00  3.2402700000e-01 -1.0967810000e+00  1.3150350000e+00  3.2617500000e-01  2.1232300000e-01  5.5468100000e-01
-ENERGY -1.526599100127e+02
-FORCES  3.5330000000e-04  8.4770000000e-04 -4.8794000000e-03  1.3450000000e-03 -3.8569000000e-03  2.5475000000e-03 -3.0024000000e-03  3.1129000000e-03  3.8571000000e-03 -6.6987000000e-03 -1.2850000000e-04 -8.0922000000e-03  1.9233000000e-03  2.2543000000e-03  1.5720000000e-04  6.0795000000e-03 -2.2295000000e-03  6.4098000000e-03
-
-JOB 30
-COORDS  8.0557000000e-02  5.2506700000e-01  1.4004050000e+00 -8.8989000000e-02  2.0707400000e-01  5.1363200000e-01 -7.7459500000e-01  8.1326300000e-01  1.7196060000e+00  1.8509000000e-02 -4.8185500000e-01 -1.3227540000e+00  3.4474000000e-01 -1.3048450000e+00 -1.6867480000e+00 -8.6082600000e-01 -3.8914900000e-01 -1.6893700000e+00
-ENERGY -1.526602693516e+02
-FORCES -1.4903000000e-03 -2.9299000000e-03 -8.1937000000e-03 -2.6677000000e-03  4.6448000000e-03  9.3727000000e-03  2.2695000000e-03 -1.2978000000e-03 -2.3474000000e-03  3.6620000000e-04 -4.0567000000e-03 -2.5473000000e-03 -2.5433000000e-03  4.0833000000e-03  2.5230000000e-04  4.0656000000e-03 -4.4370000000e-04  3.4634000000e-03
-
-JOB 31
-COORDS  6.9869000000e-02 -1.0457480000e+00 -9.4160600000e-01 -1.6707800000e-01 -1.8977820000e+00 -5.7537200000e-01 -2.2004400000e-01 -1.0872230000e+00 -1.8529030000e+00 -8.9239000000e-02  1.0790770000e+00  1.0178340000e+00  4.0334200000e-01  1.8997760000e+00  1.0247430000e+00  2.7855600000e-01  5.8459100000e-01  2.8541200000e-01
-ENERGY -1.526606632959e+02
-FORCES -3.7606000000e-03 -2.9111000000e-03 -2.6610000000e-04  1.0541000000e-03  3.1630000000e-03 -3.1135000000e-03  1.2958000000e-03 -6.3550000000e-04  3.9503000000e-03  2.2482000000e-03 -3.9263000000e-03 -5.9738000000e-03 -1.4474000000e-03 -3.2214000000e-03 -1.2576000000e-03  6.0990000000e-04  7.5312000000e-03  6.6607000000e-03
-
-JOB 32
-COORDS  3.6723600000e-01  1.1788850000e+00 -9.2781200000e-01  4.2784000000e-01  7.0432400000e-01 -9.8745000000e-02  2.9384000000e-01  4.9342700000e-01 -1.5918840000e+00 -3.0508600000e-01 -1.0995160000e+00  9.2594800000e-01 -7.7369000000e-01 -1.6853300000e+00  3.3142100000e-01 -9.9559000000e-01 -6.3493800000e-01  1.3988160000e+00
-ENERGY -1.526588537730e+02
-FORCES -2.7080000000e-04 -9.9893000000e-03  4.0323000000e-03  2.3340000000e-04  7.4747000000e-03 -3.0781000000e-03 -3.3660000000e-04  2.5911000000e-03  6.8550000000e-04 -6.1771000000e-03 -1.6157000000e-03 -1.1283000000e-03  2.2966000000e-03  2.9210000000e-03  2.4224000000e-03  4.2545000000e-03 -1.3818000000e-03 -2.9339000000e-03
-
-JOB 33
-COORDS  2.3209100000e-01 -1.3956200000e+00 -4.9874200000e-01  3.5647900000e-01 -4.6219700000e-01 -6.7044300000e-01 -4.4288000000e-02 -1.7595990000e+00 -1.3397930000e+00 -1.7329700000e-01  1.3314440000e+00  5.2429900000e-01 -2.2179800000e-01  2.2470980000e+00  7.9899500000e-01 -1.0097050000e+00  9.5439000000e-01  7.9721500000e-01
-ENERGY -1.526598983478e+02
-FORCES  1.2079000000e-03  5.3086000000e-03 -2.4292000000e-03 -1.4555000000e-03 -8.2124000000e-03 -1.8641000000e-03  6.3520000000e-04  2.0438000000e-03  3.1759000000e-03 -3.2847000000e-03  1.4859000000e-03  3.6304000000e-03 -7.1970000000e-04 -4.1354000000e-03 -5.4630000000e-04  3.6169000000e-03  3.5096000000e-03 -1.9668000000e-03
-
-JOB 34
-COORDS  6.7684500000e-01  1.2551410000e+00 -1.5460900000e-01  1.2880050000e+00  1.9033970000e+00 -5.0458000000e-01  1.8291000000e-01  1.7280470000e+00  5.1518100000e-01 -7.0713200000e-01 -1.3648900000e+00  9.5664000000e-02 -2.0998300000e-01 -5.7721600000e-01 -1.2489300000e-01 -7.7928200000e-01 -1.3437910000e+00  1.0499070000e+00
-ENERGY -1.526601445418e+02
-FORCES  1.4188000000e-03  4.2889000000e-03 -3.8450000000e-04 -3.2257000000e-03 -1.5885000000e-03  2.6783000000e-03  2.5644000000e-03 -3.1019000000e-03 -2.9108000000e-03  5.2209000000e-03  6.5602000000e-03  9.7090000000e-04 -5.7186000000e-03 -6.7688000000e-03  2.5034000000e-03 -2.5970000000e-04  6.1010000000e-04 -2.8573000000e-03
-
-JOB 35
-COORDS -6.0192600000e-01 -2.6810000000e-01  1.3954950000e+00 -1.2763670000e+00 -8.7008800000e-01  1.0808980000e+00 -6.3410000000e-02 -8.7225000000e-02  6.2509400000e-01  5.6789000000e-01  2.4504900000e-01 -1.3655650000e+00  1.5138420000e+00  1.8506000000e-01 -1.2321230000e+00  3.1759300000e-01  1.0667950000e+00 -9.4329000000e-01
-ENERGY -1.526579604520e+02
-FORCES  6.6880000000e-04 -3.7321000000e-03 -9.3107000000e-03  1.7091000000e-03  2.1489000000e-03  2.1589000000e-03 -1.3255000000e-03  5.0029000000e-03  6.6794000000e-03  3.6954000000e-03  4.4600000000e-03 -2.1312000000e-03 -5.7214000000e-03  9.8300000000e-05  8.3040000000e-04  9.7350000000e-04 -7.9779000000e-03  1.7732000000e-03
-
-JOB 36
-COORDS  4.7271100000e-01  8.2264400000e-01  1.1624610000e+00  1.3359400000e+00  1.0351610000e+00  8.0763000000e-01 -1.3248200000e-01  1.3764520000e+00  6.6923700000e-01 -5.2113500000e-01 -9.2484500000e-01 -1.1218160000e+00 -5.2332700000e-01 -1.7234700000e-01 -1.7134020000e+00  1.0867000000e-02 -6.4341500000e-01 -3.7750200000e-01
-ENERGY -1.526574878207e+02
-FORCES  1.5010000000e-04  6.2455000000e-03 -3.6660000000e-04 -5.3877000000e-03 -2.7361000000e-03 -2.8800000000e-05  3.9432000000e-03 -4.2321000000e-03  5.7630000000e-04  3.5432000000e-03  4.9160000000e-03  5.2185000000e-03 -2.2900000000e-05 -1.6520000000e-03  2.9349000000e-03 -2.2259000000e-03 -2.5413000000e-03 -8.3344000000e-03
-
-JOB 37
-COORDS -3.5042000000e-01  3.9811100000e-01  1.3807440000e+00 -4.5829400000e-01 -5.3471700000e-01  1.5662890000e+00 -1.2360790000e+00  7.5732300000e-01  1.4337090000e+00  4.4155900000e-01 -4.1978900000e-01 -1.4116160000e+00  5.2265000000e-01  1.0859800000e-01 -6.1759900000e-01 -2.7963900000e-01 -1.7065000000e-02 -1.8952670000e+00
-ENERGY -1.526598979210e+02
-FORCES -5.1185000000e-03 -3.8131000000e-03  1.4171000000e-03  4.3070000000e-04  5.0934000000e-03 -6.3510000000e-04  3.8526000000e-03 -1.8555000000e-03 -6.2620000000e-04 -3.6363000000e-03  5.9123000000e-03  6.0323000000e-03  2.4440000000e-03 -3.7301000000e-03 -7.5431000000e-03  2.0276000000e-03 -1.6070000000e-03  1.3549000000e-03
-
-JOB 38
-COORDS -9.2779000000e-02 -6.7991200000e-01 -1.2833980000e+00  2.1190900000e-01 -1.0439110000e+00 -2.1146030000e+00 -6.4906700000e-01  5.7655000000e-02 -1.5339400000e+00  1.0675700000e-01  7.2104400000e-01  1.3678480000e+00 -3.7221000000e-02 -8.9785000000e-02  1.8557610000e+00  2.6172200000e-01  4.3511100000e-01  4.6759200000e-01
-ENERGY -1.526598339086e+02
-FORCES -8.7870000000e-04 -2.5300000000e-04 -5.4979000000e-03 -2.5617000000e-03  1.7883000000e-03  3.2789000000e-03  4.7386000000e-03 -3.0319000000e-03  2.7577000000e-03  9.9160000000e-04 -8.0207000000e-03 -4.6977000000e-03  3.9030000000e-04  3.1703000000e-03 -3.3640000000e-04 -2.6801000000e-03  6.3470000000e-03  4.4952000000e-03
-
-JOB 39
-COORDS  1.5832300000e-01 -1.3343790000e+00 -5.6135300000e-01  7.3671700000e-01 -1.7527710000e+00 -1.1990370000e+00 -6.8567900000e-01 -1.7697920000e+00 -6.8096700000e-01 -1.9096600000e-01  1.4119930000e+00  5.6854300000e-01  1.6774400000e-01  1.5877870000e+00  1.4384020000e+00  2.9017500000e-01  6.4365000000e-01  2.6132500000e-01
-ENERGY -1.526606080173e+02
-FORCES -3.5919000000e-03 -3.2868000000e-03 -2.9177000000e-03 -2.8417000000e-03  1.7635000000e-03  2.8668000000e-03  4.6153000000e-03  4.0320000000e-04 -2.6990000000e-04  3.0393000000e-03 -6.6215000000e-03 -4.0010000000e-04 -1.0199000000e-03 -1.1106000000e-03 -3.0062000000e-03 -2.0120000000e-04  8.8522000000e-03  3.7272000000e-03
-
-JOB 40
-COORDS -3.3674000000e-01  1.1867330000e+00  9.5474900000e-01  7.0244000000e-02  4.4076000000e-01  5.1415800000e-01 -2.8666900000e-01  9.7186700000e-01  1.8861760000e+00  3.1562700000e-01 -1.1765850000e+00 -9.3393700000e-01 -4.5865500000e-01 -1.0419510000e+00 -1.4803730000e+00  9.2995400000e-01 -4.9937700000e-01 -1.2171760000e+00
-ENERGY -1.526591310430e+02
-FORCES  1.4097000000e-03 -7.7476000000e-03  5.7480000000e-04  7.1820000000e-04  8.8588000000e-03  1.8788000000e-03 -1.0190000000e-04  7.2400000000e-04 -3.3328000000e-03 -1.9206000000e-03  6.8600000000e-04 -7.0237000000e-03  4.3776000000e-03 -6.7310000000e-04  2.6886000000e-03 -4.4829000000e-03 -1.8482000000e-03  5.2143000000e-03
-
-JOB 41
-COORDS  4.1712100000e-01 -1.3601890000e+00 -4.0974400000e-01 -2.3750100000e-01 -1.8645640000e+00  7.3276000000e-02  6.9990400000e-01 -1.9450200000e+00 -1.1127650000e+00 -3.9792800000e-01  1.4653280000e+00  4.8181600000e-01  2.4143400000e-01  7.8636700000e-01  2.6627100000e-01 -1.0122110000e+00  1.4582410000e+00 -2.5224000000e-01
-ENERGY -1.526601843545e+02
-FORCES -1.4500000000e-03 -5.1056000000e-03 -5.4530000000e-04  3.2058000000e-03  1.8119000000e-03 -3.0270000000e-03 -2.0585000000e-03  2.0749000000e-03  3.2258000000e-03  1.7227000000e-03 -6.4722000000e-03 -5.7541000000e-03 -2.4046000000e-03  6.6881000000e-03  3.3478000000e-03  9.8440000000e-04  1.0029000000e-03  2.7527000000e-03
-
-JOB 42
-COORDS -3.6024000000e-02  6.3750700000e-01 -1.3372960000e+00 -3.3798600000e-01  1.3059620000e+00 -1.9522900000e+00  8.0036700000e-01  3.4130600000e-01 -1.6963880000e+00 -4.6885000000e-02 -6.7893600000e-01  1.4324680000e+00  8.9313400000e-01 -7.0595900000e-01  1.6109780000e+00 -1.1315000000e-01 -3.1491600000e-01  5.4967100000e-01
-ENERGY -1.526598825577e+02
-FORCES  1.6690000000e-04  3.2064000000e-03 -4.7120000000e-03  2.5842000000e-03 -3.1911000000e-03  1.5342000000e-03 -3.8051000000e-03  1.3212000000e-03  2.7914000000e-03  1.7410000000e-03  4.1100000000e-03 -6.0184000000e-03 -2.8040000000e-03 -1.3100000000e-04 -1.1080000000e-03  2.1170000000e-03 -5.3155000000e-03  7.5129000000e-03
-
-JOB 43
-COORDS  1.4310990000e+00 -6.1031100000e-01 -4.4547800000e-01  7.1412900000e-01 -1.1803100000e-01 -4.5671000000e-02  1.0038970000e+00 -1.3541460000e+00 -8.7026000000e-01 -1.3579390000e+00  6.9295300000e-01  4.4672200000e-01 -1.2541960000e+00  9.2766000000e-02  1.1851290000e+00 -1.6879130000e+00  1.4374500000e-01 -2.6441800000e-01
-ENERGY -1.526572016573e+02
-FORCES -6.2772000000e-03  2.1683000000e-03  1.1810000000e-04  5.7327000000e-03 -6.5219000000e-03 -1.1102000000e-03  6.7890000000e-04  2.8242000000e-03  1.8794000000e-03 -5.9378000000e-03 -3.0381000000e-03  9.2980000000e-04  2.0354000000e-03  2.6663000000e-03 -5.4437000000e-03  3.7680000000e-03  1.9012000000e-03  3.6267000000e-03
-
-JOB 44
-COORDS  1.3027510000e+00 -5.4628700000e-01  8.3473300000e-01  7.3550500000e-01 -1.1558700000e-01  1.9523200000e-01  1.2061810000e+00 -2.4233000000e-02  1.6312030000e+00 -1.2022850000e+00  4.6922500000e-01 -8.4216900000e-01 -1.9724260000e+00 -2.5524000000e-02 -5.6228000000e-01 -1.5488100000e+00  1.3189810000e+00 -1.1143220000e+00
-ENERGY -1.526604787329e+02
-FORCES -5.3823000000e-03  4.8440000000e-03 -1.8273000000e-03  7.0159000000e-03 -3.1305000000e-03  4.8897000000e-03  4.7580000000e-04 -1.8749000000e-03 -2.2829000000e-03 -6.1215000000e-03  9.5980000000e-04 -8.6920000000e-04  3.0080000000e-03  3.1551000000e-03 -1.4862000000e-03  1.0040000000e-03 -3.9534000000e-03  1.5759000000e-03
-
-JOB 45
-COORDS  1.5333000000e-02  6.0356800000e-01 -1.5251900000e+00 -2.0682700000e-01  1.2422600000e-01 -7.2699900000e-01 -3.7473900000e-01  8.8077000000e-02 -2.2311250000e+00 -2.8627000000e-02 -5.8273000000e-01  1.4776100000e+00 -2.0565100000e-01  6.4150000000e-02  2.1605750000e+00  9.2137400000e-01 -6.9829500000e-01  1.4969580000e+00
-ENERGY -1.526608672988e+02
-FORCES -2.9622000000e-03 -4.4287000000e-03  3.4481000000e-03  1.6024000000e-03  3.3798000000e-03 -8.9316000000e-03  1.3945000000e-03  1.5721000000e-03  2.7142000000e-03  3.6638000000e-03  2.0381000000e-03  6.0240000000e-03  1.1804000000e-03 -3.2443000000e-03 -2.8306000000e-03 -4.8790000000e-03  6.8310000000e-04 -4.2410000000e-04
-
-JOB 46
-COORDS -1.7805400000e-01  1.2402360000e+00  1.0157210000e+00 -3.4522700000e-01  1.7523190000e+00  1.8069580000e+00 -4.6192400000e-01  3.5381100000e-01  1.2391080000e+00  2.2190900000e-01 -1.2520120000e+00 -1.0163350000e+00 -6.5420600000e-01 -1.0114130000e+00 -1.3176090000e+00  8.0829100000e-01 -9.2704400000e-01 -1.6995510000e+00
-ENERGY -1.526560060502e+02
-FORCES -6.2190000000e-04 -3.4614000000e-03  3.5398000000e-03  8.2500000000e-04 -2.3539000000e-03 -3.3874000000e-03 -1.1176000000e-03  5.4936000000e-03  7.0970000000e-04  2.4910000000e-04  4.4864000000e-03 -4.7865000000e-03  3.1637000000e-03 -1.7519000000e-03  2.0662000000e-03 -2.4983000000e-03 -2.4128000000e-03  1.8583000000e-03
-
-JOB 47
-COORDS -3.6643000000e-02  1.3302380000e+00 -9.8322400000e-01  2.0671300000e-01  1.3541690000e+00 -1.9086630000e+00 -1.9103000000e-02  4.0095200000e-01 -7.5441800000e-01  5.0616000000e-02 -1.2099070000e+00  1.0314190000e+00  4.5165400000e-01 -2.0440810000e+00  1.2754570000e+00 -8.0556800000e-01 -1.4498330000e+00  6.7699300000e-01
-ENERGY -1.526570191498e+02
-FORCES  2.6473000000e-03 -4.7269000000e-03 -2.4580000000e-04 -9.3680000000e-04 -4.3970000000e-04  3.6033000000e-03 -3.4180000000e-03  5.2379000000e-03 -4.9503000000e-03 -1.2675000000e-03 -5.9413000000e-03  3.0957000000e-03 -2.3246000000e-03  3.6033000000e-03 -9.0340000000e-04  5.2996000000e-03  2.2667000000e-03 -5.9950000000e-04
-
-JOB 48
-COORDS -5.9410600000e-01  1.4030230000e+00 -6.0371400000e-01 -1.2776270000e+00  1.0648270000e+00 -2.5221000000e-02 -1.0713530000e+00  1.8094560000e+00 -1.3270950000e+00  6.7122800000e-01 -1.4697280000e+00  6.2657000000e-01 -1.0403600000e-01 -9.1672700000e-01  5.2968700000e-01  1.4086610000e+00 -8.7609900000e-01  4.8504400000e-01
-ENERGY -1.526553837648e+02
-FORCES -5.5948000000e-03  2.2701000000e-03 -2.4065000000e-03  4.7919000000e-03 -1.2867000000e-03 -2.0757000000e-03  1.9922000000e-03 -1.4954000000e-03  3.5062000000e-03  5.5790000000e-04  6.9900000000e-03 -3.3205000000e-03 -4.2500000000e-05 -2.7144000000e-03  2.6678000000e-03 -1.7048000000e-03 -3.7635000000e-03  1.6287000000e-03
-
-JOB 49
-COORDS -1.1296850000e+00 -6.7645000000e-01 -1.0619480000e+00 -3.6607100000e-01 -8.5714800000e-01 -1.6101040000e+00 -1.1410580000e+00 -1.3896390000e+00 -4.2362000000e-01  1.1376840000e+00  6.8912400000e-01  1.0622120000e+00  9.9913500000e-01  1.5901870000e+00  1.3539690000e+00  3.1866500000e-01  4.4846600000e-01  6.2917300000e-01
-ENERGY -1.526591036221e+02
-FORCES  1.4003000000e-03 -6.2823000000e-03 -3.2645000000e-03 -3.7796000000e-03  1.1786000000e-03  3.2806000000e-03  8.4110000000e-04  4.9352000000e-03 -2.0897000000e-03 -5.3167000000e-03  2.8586000000e-03 -1.8684000000e-03  5.3650000000e-04 -3.3527000000e-03 -1.0376000000e-03  6.3184000000e-03  6.6260000000e-04  4.9796000000e-03
-
-JOB 50
-COORDS  6.0929000000e-01 -8.3164900000e-01  1.3345430000e+00  1.3621090000e+00 -9.6828600000e-01  1.9097190000e+00  2.8586900000e-01 -1.7132500000e+00  1.1490410000e+00 -6.7662900000e-01  9.3583300000e-01 -1.3346560000e+00 -6.1951300000e-01  5.2988400000e-01 -2.1996270000e+00  1.5055000000e-02  5.1358100000e-01 -8.2523500000e-01
-ENERGY -1.526579040122e+02
-FORCES  1.5299000000e-03 -4.8813000000e-03  4.2540000000e-03 -3.4481000000e-03  1.6400000000e-04 -2.5126000000e-03  2.0939000000e-03  3.9781000000e-03  2.4660000000e-04  3.8316000000e-03 -3.3662000000e-03  9.5280000000e-04 -2.6510000000e-04  1.1396000000e-03  3.3584000000e-03 -3.7422000000e-03  2.9658000000e-03 -6.2993000000e-03
-
-JOB 51
-COORDS -1.3070490000e+00 -1.0714540000e+00  4.0124400000e-01 -4.2097600000e-01 -1.0516010000e+00  7.6278500000e-01 -1.4865660000e+00 -2.0005150000e+00  2.5684400000e-01  1.2624130000e+00  1.1090960000e+00 -4.7962000000e-01  7.7976100000e-01  1.7773870000e+00  6.8630000000e-03  1.8032240000e+00  6.7544200000e-01  1.8045500000e-01
-ENERGY -1.526533888757e+02
-FORCES  3.8889000000e-03 -3.0954000000e-03 -8.0520000000e-04 -3.6805000000e-03 -6.6550000000e-04  7.2920000000e-04  8.3450000000e-04  3.7894000000e-03  6.3510000000e-04 -5.3200000000e-04  2.4632000000e-03  3.5468000000e-03  2.9022000000e-03 -2.9179000000e-03 -1.7129000000e-03 -3.4132000000e-03  4.2610000000e-04 -2.3929000000e-03
-
-JOB 52
-COORDS  2.3568300000e-01  8.6925400000e-01 -1.5774270000e+00 -4.6675200000e-01  3.4314200000e-01 -1.1952970000e+00  8.6273100000e-01  9.8697300000e-01 -8.6385500000e-01 -1.8297200000e-01 -8.5382200000e-01  1.4727590000e+00 -4.5164100000e-01 -8.2636000000e-02  1.9720800000e+00 -7.8444700000e-01 -1.5433060000e+00  1.7539560000e+00
-ENERGY -1.526572431240e+02
-FORCES  1.9380000000e-04 -4.1049000000e-03  6.2041000000e-03  1.2337000000e-03  3.5765000000e-03 -3.6337000000e-03 -1.8593000000e-03  1.6041000000e-03 -3.3271000000e-03 -3.2774000000e-03 -1.3302000000e-03  5.2740000000e-03  1.3194000000e-03 -3.1051000000e-03 -3.2227000000e-03  2.3899000000e-03  3.3596000000e-03 -1.2946000000e-03
-
-JOB 53
-COORDS -1.4461990000e+00  3.1127800000e-01  1.0118440000e+00 -1.0707910000e+00 -4.7280800000e-01  1.4124810000e+00 -7.3560000000e-01  9.5240200000e-01  1.0273580000e+00  1.3982520000e+00 -3.1397000000e-01 -1.0980990000e+00  1.3895110000e+00 -9.3136800000e-01 -3.6667900000e-01  1.1803220000e+00  5.2993700000e-01 -7.0242100000e-01
-ENERGY -1.526516723536e+02
-FORCES  3.3774000000e-03 -9.1700000000e-04  1.6967000000e-03 -7.9730000000e-04  3.4738000000e-03 -1.9148000000e-03 -1.6161000000e-03 -3.0441000000e-03 -1.0951000000e-03 -2.4083000000e-03  6.8230000000e-04  3.9035000000e-03  1.8550000000e-04  2.7213000000e-03 -2.2996000000e-03  1.2588000000e-03 -2.9163000000e-03 -2.9080000000e-04
-
-JOB 54
-COORDS -1.5039730000e+00  1.9576600000e-01  8.7459200000e-01 -2.3910590000e+00  2.2523900000e-01  1.2329800000e+00 -1.2510960000e+00  1.1145030000e+00  7.8399100000e-01  1.5162510000e+00 -3.0098100000e-01 -9.1999700000e-01  2.4288040000e+00 -1.2088000000e-02 -9.2451200000e-01  1.0631110000e+00  3.4373000000e-01 -3.7663400000e-01
-ENERGY -1.526533754020e+02
-FORCES -4.7779000000e-03  3.1085000000e-03  1.4652000000e-03  3.7837000000e-03 -1.0800000000e-05 -1.4380000000e-03  1.1502000000e-03 -4.4307000000e-03 -2.2500000000e-04  7.6380000000e-04  2.9356000000e-03  3.0919000000e-03 -3.8876000000e-03 -1.1755000000e-03  2.4900000000e-05  2.9678000000e-03 -4.2710000000e-04 -2.9190000000e-03
-
-JOB 55
-COORDS -6.1566900000e-01 -1.6248960000e+00  6.2367100000e-01 -1.1575720000e+00 -2.0227270000e+00 -5.7727000000e-02 -4.9827500000e-01 -7.1876800000e-01  3.3839400000e-01  6.1505400000e-01  1.5742590000e+00 -5.0564400000e-01  5.9118400000e-01  1.0933380000e+00 -1.3329150000e+00  1.0436880000e+00  2.4023910000e+00 -7.2175400000e-01
-ENERGY -1.526563772640e+02
-FORCES -1.4360000000e-03  3.5449000000e-03 -2.5430000000e-03  2.4477000000e-03  1.7454000000e-03  2.2242000000e-03 -1.5473000000e-03 -6.7471000000e-03 -3.3170000000e-04  3.4828000000e-03  3.9111000000e-03 -4.0808000000e-03 -1.2235000000e-03  1.1153000000e-03  4.4879000000e-03 -1.7236000000e-03 -3.5696000000e-03  2.4340000000e-04
-
-JOB 56
-COORDS  1.1843390000e+00 -1.2203100000e+00 -5.1979700000e-01  2.0247410000e+00 -7.7394900000e-01 -4.1626300000e-01  1.2413380000e+00 -1.6435700000e+00 -1.3764380000e+00 -1.2004980000e+00  1.1764960000e+00  5.2096700000e-01 -1.8973890000e+00  1.7860530000e+00  2.7803600000e-01 -1.0584760000e+00  1.3340070000e+00  1.4543760000e+00
-ENERGY -1.526521837149e+02
-FORCES  2.7443000000e-03  1.3207000000e-03 -3.4197000000e-03 -3.0875000000e-03 -2.1546000000e-03 -6.9700000000e-05 -1.7990000000e-04  1.4931000000e-03  3.4895000000e-03 -2.0177000000e-03  2.3332000000e-03  3.2603000000e-03  3.0609000000e-03 -2.7579000000e-03  6.2810000000e-04 -5.2010000000e-04 -2.3450000000e-04 -3.8885000000e-03
-
-JOB 57
-COORDS  1.4339600000e-01  1.5003810000e+00 -1.1471320000e+00  5.5360800000e-01  1.4191990000e+00 -2.8610500000e-01 -6.4292200000e-01  9.5749200000e-01 -1.0904920000e+00 -9.2167000000e-02 -1.3958980000e+00  1.0952830000e+00  2.8858200000e-01 -2.2327860000e+00  1.3615150000e+00 -9.7495600000e-01 -1.6173460000e+00  7.9884200000e-01
-ENERGY -1.526560307578e+02
-FORCES -7.4250000000e-04 -4.3765000000e-03  5.1710000000e-03 -1.3335000000e-03  2.5068000000e-03 -4.1373000000e-03  1.7025000000e-03  2.5075000000e-03 -1.1685000000e-03 -1.3624000000e-03 -5.8922000000e-03  4.0140000000e-04 -1.9309000000e-03  3.4329000000e-03 -9.8170000000e-04  3.6668000000e-03  1.8215000000e-03  7.1500000000e-04
-
-JOB 58
-COORDS  4.2105000000e-01 -1.7875230000e+00  1.0685600000e-01  1.8136600000e-01 -1.3628820000e+00 -7.1683400000e-01  1.3470270000e+00 -2.0067640000e+00  3.2670000000e-03 -4.7960300000e-01  1.7611110000e+00  1.2268000000e-02  4.0481900000e-01  1.7203370000e+00 -3.5155700000e-01 -1.0287480000e+00  2.0358100000e+00 -7.2204300000e-01
-ENERGY -1.526529527783e+02
-FORCES  1.5777000000e-03  1.4253000000e-03 -3.3179000000e-03  1.9399000000e-03 -2.4528000000e-03  2.4598000000e-03 -3.7324000000e-03  1.4468000000e-03  3.9710000000e-04  1.6062000000e-03  1.6363000000e-03 -3.1435000000e-03 -3.8580000000e-03 -1.3590000000e-04  6.8140000000e-04  2.4667000000e-03 -1.9197000000e-03  2.9231000000e-03
-
-JOB 59
-COORDS -5.1480000000e-01 -1.2945810000e+00 -1.1037920000e+00 -9.6099000000e-02 -2.1474410000e+00 -1.2202010000e+00 -1.0347110000e+00 -1.1720600000e+00 -1.8980930000e+00  5.0084500000e-01  1.3116470000e+00  1.2137440000e+00  1.1901880000e+00  9.7416800000e-01  6.4177700000e-01  1.5085100000e-01  2.0699740000e+00  7.4611400000e-01
-ENERGY -1.526539320020e+02
-FORCES -1.4518000000e-03 -3.6749000000e-03 -3.3264000000e-03 -1.4285000000e-03  3.9206000000e-03  4.7330000000e-04  2.3762000000e-03 -2.1400000000e-04  3.3549000000e-03  2.6520000000e-04 -3.9580000000e-04 -5.8916000000e-03 -1.2040000000e-03  2.6275000000e-03  3.2757000000e-03  1.4429000000e-03 -2.2634000000e-03  2.1140000000e-03
-
-JOB 60
-COORDS  1.0826730000e+00 -6.3829400000e-01 -1.4059720000e+00  1.0221240000e+00  2.2870000000e-03 -2.1146480000e+00  1.0557960000e+00 -1.1398100000e-01 -6.0559400000e-01 -1.0517840000e+00  5.2463700000e-01  1.4517830000e+00 -1.3937750000e+00  2.7304200000e-01  5.9389400000e-01 -1.1348780000e+00  1.4779860000e+00  1.4730850000e+00
-ENERGY -1.526561613820e+02
-FORCES  1.2488000000e-03  4.3326000000e-03  1.2739000000e-03 -4.0310000000e-04 -2.4793000000e-03  3.1273000000e-03 -1.7240000000e-04 -2.1398000000e-03 -5.6284000000e-03 -4.2755000000e-03  2.2542000000e-03 -2.1435000000e-03  2.5889000000e-03  2.2277000000e-03  4.0089000000e-03  1.0133000000e-03 -4.1955000000e-03 -6.3820000000e-04
-
-JOB 61
-COORDS -5.7869000000e-02 -1.2999700000e+00 -1.3680470000e+00  5.9011700000e-01 -6.3060700000e-01 -1.1482770000e+00 -2.4279800000e-01 -1.1592600000e+00 -2.2966120000e+00  1.7152000000e-02  1.2804340000e+00  1.4697250000e+00  7.2737000000e-01  6.8564500000e-01  1.2287920000e+00 -4.5800800000e-01  1.4303420000e+00  6.5242300000e-01
-ENERGY -1.526531277560e+02
-FORCES  2.0313000000e-03  2.0772000000e-03 -4.2078000000e-03 -3.1550000000e-03 -1.8495000000e-03  6.7490000000e-04  6.9730000000e-04 -4.3020000000e-04  4.2897000000e-03 -4.1690000000e-04 -2.8395000000e-03 -3.5698000000e-03 -2.2977000000e-03  2.9306000000e-03 -3.3310000000e-04  3.1410000000e-03  1.1140000000e-04  3.1461000000e-03
-
-JOB 62
-COORDS  8.4304000000e-02  1.6478650000e+00 -1.1244740000e+00 -4.7995300000e-01  9.2826600000e-01 -8.4159100000e-01  7.7830500000e-01  1.6817200000e+00 -4.6610700000e-01 -9.6838000000e-02 -1.6284090000e+00  1.0071200000e+00 -6.3156500000e-01 -9.5247700000e-01  1.4235530000e+00  4.8293400000e-01 -1.9382560000e+00  1.7028870000e+00
-ENERGY -1.526549553607e+02
-FORCES  1.3789000000e-03 -4.5687000000e-03  3.2282000000e-03  1.0368000000e-03  4.4959000000e-03 -5.2540000000e-04 -2.9562000000e-03  8.5880000000e-04 -2.2637000000e-03  4.0640000000e-04 -5.1280000000e-04  5.7201000000e-03  2.7314000000e-03 -1.7859000000e-03 -3.2259000000e-03 -2.5973000000e-03  1.5127000000e-03 -2.9334000000e-03
-
-JOB 63
-COORDS -1.3754670000e+00 -2.2468900000e-01  1.4349230000e+00 -1.6657950000e+00 -5.1285800000e-01  5.6953300000e-01 -1.3732080000e+00  7.3100900000e-01  1.3813720000e+00  1.3414700000e+00  2.2800900000e-01 -1.3810160000e+00  1.2794440000e+00 -6.9714300000e-01 -1.1433630000e+00  2.2694560000e+00  3.6517800000e-01 -1.5714350000e+00
-ENERGY -1.526553501045e+02
-FORCES -5.7480000000e-04  3.9157000000e-03 -4.4307000000e-03  1.0698000000e-03  1.8150000000e-04  3.7078000000e-03 -8.3100000000e-04 -3.8892000000e-03  1.0363000000e-03  4.1772000000e-03 -3.3854000000e-03  8.5800000000e-04 -8.5800000000e-05  3.7451000000e-03 -1.8983000000e-03 -3.7553000000e-03 -5.6770000000e-04  7.2680000000e-04
-
-JOB 64
-COORDS -6.5293000000e-01  2.2195400000e-01 -1.8219790000e+00 -9.6728900000e-01  1.6852300000e-01 -2.7245060000e+00 -1.2927200000e-01 -5.7041200000e-01 -1.7029400000e+00  6.9113500000e-01 -1.3102700000e-01  1.8398430000e+00 -2.1321300000e-01 -2.1186600000e-01  1.5367710000e+00  7.4225400000e-01 -7.1066000000e-01  2.5998720000e+00
-ENERGY -1.526552739282e+02
-FORCES  1.7696000000e-03 -2.9851000000e-03 -3.8943000000e-03  1.3628000000e-03  1.2950000000e-04  3.6967000000e-03 -3.3091000000e-03  2.9984000000e-03 -5.3610000000e-04 -4.1093000000e-03 -1.5622000000e-03  1.9822000000e-03  4.4382000000e-03 -8.4370000000e-04  2.0066000000e-03 -1.5220000000e-04  2.2631000000e-03 -3.2550000000e-03
-
-JOB 65
-COORDS -7.6301400000e-01 -5.4789000000e-02  1.8212140000e+00  1.5992100000e-01  1.2930600000e-01  1.6464780000e+00 -7.7445800000e-01 -3.9669800000e-01  2.7151930000e+00  7.6488700000e-01  3.6519000000e-02 -1.8325280000e+00 -8.2386000000e-02  2.8080400000e-01 -1.4601230000e+00  6.9598400000e-01  2.6885900000e-01 -2.7585420000e+00
-ENERGY -1.526562455150e+02
-FORCES  4.0970000000e-03 -1.2606000000e-03  3.6004000000e-03 -4.7001000000e-03 -3.7740000000e-04  8.2940000000e-04  1.3820000000e-04  1.4965000000e-03 -3.4449000000e-03 -4.4406000000e-03  1.5751000000e-03 -2.5835000000e-03  4.6786000000e-03 -4.8270000000e-04 -2.0409000000e-03  2.2690000000e-04 -9.5090000000e-04  3.6394000000e-03
-
-JOB 66
-COORDS -3.4627200000e-01 -1.9635400000e+00  4.2810000000e-01 -9.2460000000e-02 -1.8809140000e+00  1.3473300000e+00  4.5153300000e-01 -1.7606100000e+00 -6.0326000000e-02  2.4565300000e-01  1.9476970000e+00 -4.0126900000e-01  6.3178800000e-01  1.1872500000e+00 -8.3584000000e-01  6.4215500000e-01  2.7011130000e+00 -8.3874300000e-01
-ENERGY -1.526532985085e+02
-FORCES  3.8107000000e-03  1.3147000000e-03  2.7927000000e-03 -8.7570000000e-04 -9.3480000000e-04 -3.9691000000e-03 -3.1749000000e-03  2.2200000000e-05  1.2192000000e-03  2.4103000000e-03  3.6500000000e-05 -4.0186000000e-03 -4.9690000000e-04  2.7938000000e-03  2.0371000000e-03 -1.6734000000e-03 -3.2324000000e-03  1.9388000000e-03
-
-JOB 67
-COORDS  1.2674700000e-01  1.2579130000e+00 -1.6296080000e+00  8.0559000000e-02  2.0290750000e+00 -1.0644470000e+00  5.6400200000e-01  5.9477600000e-01 -1.0954840000e+00 -1.2735300000e-01 -1.2093370000e+00  1.5505010000e+00 -9.4143300000e-01 -1.6852250000e+00  1.3860710000e+00  3.5691600000e-01 -1.7658020000e+00  2.1604690000e+00
-ENERGY -1.526567415225e+02
-FORCES  1.5168000000e-03 -3.8540000000e-04  5.7857000000e-03  1.6240000000e-04 -2.4184000000e-03 -2.6686000000e-03 -1.2088000000e-03  3.5337000000e-03 -4.0446000000e-03 -2.0709000000e-03 -4.8584000000e-03  2.5509000000e-03  3.6814000000e-03  1.8085000000e-03  9.6880000000e-04 -2.0809000000e-03  2.3201000000e-03 -2.5922000000e-03
-
-JOB 68
-COORDS -9.1738400000e-01 -4.5406400000e-01  1.9384180000e+00 -1.1302470000e+00  4.7563800000e-01  1.8573250000e+00 -1.0173200000e-01 -5.5715800000e-01  1.4481980000e+00  8.6419600000e-01  3.4481300000e-01 -1.9221010000e+00  3.8152000000e-01  1.1656880000e+00 -1.8250390000e+00  1.7726290000e+00  5.7626000000e-01 -1.7286760000e+00
-ENERGY -1.526546152599e+02
-FORCES  2.5669000000e-03  2.7802000000e-03 -3.3605000000e-03  8.2290000000e-04 -3.3898000000e-03  4.4410000000e-04 -3.2437000000e-03  7.6150000000e-04  3.4277000000e-03  1.8747000000e-03  4.5597000000e-03 -7.4680000000e-04  2.1323000000e-03 -3.5797000000e-03  3.6820000000e-04 -4.1532000000e-03 -1.1318000000e-03 -1.3260000000e-04
-
-JOB 69
-COORDS  5.4746900000e-01  1.4766610000e+00 -1.5451930000e+00  1.4733700000e+00  1.6385610000e+00 -1.3642850000e+00  3.9991700000e-01  5.7671300000e-01 -1.2544140000e+00 -5.7486100000e-01 -1.4565430000e+00  1.5835480000e+00 -1.3810560000e+00 -1.0454590000e+00  1.2716310000e+00 -2.0085000000e-02 -1.5174120000e+00  8.0589100000e-01
-ENERGY -1.526530167796e+02
-FORCES  3.7929000000e-03 -2.2974000000e-03  1.9652000000e-03 -4.0132000000e-03 -8.7320000000e-04 -9.4750000000e-04  1.0130000000e-04  2.8154000000e-03 -8.1820000000e-04 -1.7726000000e-03  1.0935000000e-03 -3.6790000000e-03  3.8942000000e-03 -1.9585000000e-03  1.0136000000e-03 -2.0026000000e-03  1.2202000000e-03  2.4659000000e-03
-
-JOB 70
-COORDS -3.8229600000e-01 -2.1694790000e+00  6.6241500000e-01 -2.7231700000e-01 -2.8303470000e+00 -2.1245000000e-02  4.3420200000e-01 -1.6701510000e+00  6.4709000000e-01  3.3872200000e-01  2.1235720000e+00 -5.9114400000e-01  3.6548000000e-02  2.9500680000e+00 -2.1454400000e-01  4.8526000000e-01  2.3207540000e+00 -1.5162800000e+00
-ENERGY -1.526545762099e+02
-FORCES  3.8424000000e-03  5.8760000000e-04 -3.0464000000e-03 -4.8510000000e-04  2.4354000000e-03  2.6831000000e-03 -3.0593000000e-03 -3.2931000000e-03  3.8980000000e-04 -1.3453000000e-03  4.4403000000e-03 -2.1255000000e-03  1.4392000000e-03 -3.2590000000e-03 -1.6836000000e-03 -3.9190000000e-04 -9.1110000000e-04  3.7828000000e-03
-
-JOB 71
-COORDS -1.1562160000e+00  9.4671600000e-01  1.7662350000e+00 -1.4212600000e+00  1.7994430000e+00  1.4215030000e+00 -1.8682690000e+00  3.5638600000e-01  1.5198170000e+00  1.1434690000e+00 -9.7895100000e-01 -1.7365140000e+00  1.8975600000e+00 -1.4961710000e+00 -2.0194660000e+00  1.5229030000e+00 -1.7207800000e-01 -1.3883520000e+00
-ENERGY -1.526546458086e+02
-FORCES -4.3012000000e-03  4.1890000000e-04 -2.6514000000e-03  1.3438000000e-03 -3.3278000000e-03  1.3787000000e-03  2.6435000000e-03  2.7762000000e-03  1.4284000000e-03  4.6456000000e-03  1.3372000000e-03  1.0340000000e-03 -3.0504000000e-03  2.0586000000e-03  1.0521000000e-03 -1.2813000000e-03 -3.2630000000e-03 -2.2419000000e-03
-
-JOB 72
-COORDS -6.2609100000e-01 -1.2978900000e-01 -2.5245810000e+00  3.0259000000e-01 -1.8778100000e-01 -2.3000380000e+00 -1.0790390000e+00 -1.5904000000e-01 -1.6818390000e+00  5.5440800000e-01  1.2525900000e-01  2.4156680000e+00  1.3422930000e+00  6.6738600000e-01  2.3760620000e+00  5.6886100000e-01 -2.5532000000e-01  3.2938380000e+00
-ENERGY -1.526552078049e+02
-FORCES  1.8750000000e-03 -4.5810000000e-04  5.0796000000e-03 -3.4613000000e-03  3.3840000000e-04 -1.3781000000e-03  1.5425000000e-03  1.3840000000e-04 -4.0889000000e-03  3.2486000000e-03  7.0660000000e-04  4.1161000000e-03 -3.2394000000e-03 -2.3552000000e-03 -1.0070000000e-04  3.4700000000e-05  1.6298000000e-03 -3.6280000000e-03
-
-JOB 73
-COORDS -1.0856020000e+00 -2.1763050000e+00 -1.1089930000e+00 -4.5401200000e-01 -2.3667030000e+00 -4.1539700000e-01 -1.2796870000e+00 -1.2444810000e+00 -1.0076600000e+00  1.0326530000e+00  2.1018740000e+00  1.0067130000e+00  1.9156480000e+00  2.4553770000e+00  1.1143570000e+00  6.2314400000e-01  2.2136950000e+00  1.8646350000e+00
-ENERGY -1.526550520293e+02
-FORCES  2.2332000000e-03  3.6763000000e-03  3.2025000000e-03 -2.6786000000e-03  2.5410000000e-04 -2.6957000000e-03  2.1610000000e-04 -4.2136000000e-03 -5.1460000000e-04  2.3279000000e-03  2.5159000000e-03  3.9375000000e-03 -3.6943000000e-03 -1.4914000000e-03 -3.1130000000e-04  1.5957000000e-03 -7.4130000000e-04 -3.6185000000e-03
-
-JOB 74
-COORDS -1.9141700000e-01  1.9985960000e+00 -1.6501660000e+00 -2.7085500000e-01  2.5146750000e+00 -2.4524030000e+00 -4.8746400000e-01  1.1227060000e+00 -1.8979670000e+00  2.0771800000e-01 -2.0122020000e+00  1.7724080000e+00  2.7013500000e-01 -2.3789290000e+00  8.9045100000e-01  2.2771100000e-01 -1.0643910000e+00  1.6401740000e+00
-ENERGY -1.526543158352e+02
-FORCES -1.6992000000e-03 -8.0160000000e-04 -4.7911000000e-03  3.1160000000e-04 -2.2339000000e-03  3.2926000000e-03  1.4810000000e-03  3.2160000000e-03  1.5265000000e-03  6.1580000000e-04  2.7206000000e-03 -3.8438000000e-03 -4.5000000000e-04  1.4671000000e-03  3.3702000000e-03 -2.5920000000e-04 -4.3682000000e-03  4.4550000000e-04
-
-JOB 75
-COORDS  7.5462300000e-01  1.5384410000e+00 -2.1007400000e+00  4.2466900000e-01  6.8067200000e-01 -1.8331710000e+00  1.4272400000e+00  1.7494970000e+00 -1.4532270000e+00 -7.9142900000e-01 -1.4358360000e+00  2.0498960000e+00 -1.7524000000e-01 -1.8799820000e+00  2.6323720000e+00 -1.0878460000e+00 -2.1188160000e+00  1.4483090000e+00
-ENERGY -1.526545410754e+02
-FORCES  1.0547000000e-03 -2.5675000000e-03  4.4115000000e-03  1.4694000000e-03  3.2696000000e-03 -1.7077000000e-03 -2.4161000000e-03 -7.5690000000e-04 -2.9145000000e-03  8.2160000000e-04 -4.9082000000e-03  6.3030000000e-04 -2.4495000000e-03  1.9121000000e-03 -2.5888000000e-03  1.5199000000e-03  3.0510000000e-03  2.1693000000e-03
-
-JOB 76
-COORDS -7.5042100000e-01  2.3918920000e+00 -8.4492700000e-01 -1.0744680000e+00  3.1641290000e+00 -3.8138200000e-01 -3.8112300000e-01  2.7372560000e+00 -1.6576840000e+00  6.8511900000e-01 -2.4691490000e+00  8.9146200000e-01  1.5129420000e+00 -2.3328800000e+00  1.3523020000e+00  9.0298900000e-01 -2.3515150000e+00 -3.3160000000e-02
-ENERGY -1.526538623736e+02
-FORCES -1.3500000000e-04  4.6096000000e-03 -1.1531000000e-03  1.4016000000e-03 -3.0775000000e-03 -2.0024000000e-03 -1.3660000000e-03 -1.5749000000e-03  3.3010000000e-03  3.9556000000e-03  1.8280000000e-03 -2.0996000000e-03 -3.2393000000e-03 -7.7960000000e-04 -1.7617000000e-03 -6.1680000000e-04 -1.0057000000e-03  3.7158000000e-03
-
-JOB 77
-COORDS -1.2128800000e-01  1.4482200000e-01 -2.9446040000e+00  7.7375000000e-02  2.8624100000e-01 -2.0189870000e+00 -9.9766100000e-01 -2.4014500000e-01 -2.9458690000e+00  1.9255500000e-01 -8.2919000000e-02  2.9205300000e+00  3.2979400000e-01 -3.8240500000e-01  2.0218050000e+00 -5.1494800000e-01 -6.3572500000e-01  3.2523070000e+00
-ENERGY -1.526535101526e+02
-FORCES -2.8551000000e-03 -6.0340000000e-04  3.4415000000e-03 -8.0430000000e-04 -1.0186000000e-03 -3.4815000000e-03  3.7112000000e-03  1.4697000000e-03  1.9270000000e-04 -2.1651000000e-03 -3.7124000000e-03 -1.7852000000e-03 -7.9420000000e-04  1.5114000000e-03  3.1826000000e-03  2.9075000000e-03  2.3534000000e-03 -1.5501000000e-03
-
-JOB 78
-COORDS  1.6809700000e-01  2.7410330000e+00  8.7056500000e-01  7.6203400000e-01  3.2125450000e+00  1.4546430000e+00  6.1098100000e-01  2.7471040000e+00  2.2008000000e-02 -2.3991500000e-01 -2.7376890000e+00 -8.0071400000e-01  3.7896700000e-01 -3.4525440000e+00 -9.4971000000e-01 -6.2704300000e-01 -2.5723200000e+00 -1.6603750000e+00
-ENERGY -1.526536409265e+02
-FORCES  4.3014000000e-03  1.4489000000e-03 -1.0404000000e-03 -2.4345000000e-03 -1.8086000000e-03 -2.3737000000e-03 -1.8275000000e-03  2.6450000000e-04  3.3574000000e-03  7.3440000000e-04 -2.1605000000e-03 -3.9858000000e-03 -2.4738000000e-03  2.9581000000e-03  6.0900000000e-04  1.7000000000e-03 -7.0240000000e-04  3.4335000000e-03
-
-JOB 79
-COORDS -1.1855600000e-01 -1.4440390000e+00 -2.5995230000e+00  6.7617900000e-01 -1.8640550000e+00 -2.2705630000e+00 -4.9528100000e-01 -1.0102950000e+00 -1.8339020000e+00  8.3485000000e-02  1.4518740000e+00  2.5971150000e+00  8.6404700000e-01  1.5748740000e+00  2.0569070000e+00 -5.9842500000e-01  1.1917120000e+00  1.9778040000e+00
-ENERGY -1.526535326929e+02
-FORCES  1.6773000000e-03 -4.0670000000e-04  4.2381000000e-03 -3.3169000000e-03  1.9657000000e-03 -1.2790000000e-03  1.6355000000e-03 -1.4001000000e-03 -2.8931000000e-03  3.7350000000e-04 -3.5300000000e-05 -4.4127000000e-03 -3.3439000000e-03 -8.2910000000e-04  2.0858000000e-03  2.9744000000e-03  7.0550000000e-04  2.2608000000e-03
-
-JOB 80
-COORDS -6.2534400000e-01 -1.5617120000e+00  2.5017750000e+00 -1.4390650000e+00 -1.8004650000e+00  2.0578310000e+00  6.6619000000e-02 -1.8830320000e+00  1.9236980000e+00  6.0983000000e-01  1.6402960000e+00 -2.4092320000e+00  1.3146900000e+00  1.0267330000e+00 -2.2020010000e+00  3.1186100000e-01  1.3781860000e+00 -3.2802910000e+00
-ENERGY -1.526537968196e+02
-FORCES -6.5990000000e-04 -1.9552000000e-03 -4.2716000000e-03  3.3574000000e-03  7.6970000000e-04  1.8743000000e-03 -2.6775000000e-03  1.1892000000e-03  2.3149000000e-03  1.7931000000e-03 -3.2664000000e-03 -2.7444000000e-03 -2.9896000000e-03  2.2944000000e-03 -8.2300000000e-04  1.1765000000e-03  9.6830000000e-04  3.6498000000e-03
-
-JOB 81
-COORDS  4.4434700000e-01 -2.8196190000e+00  6.6548300000e-01  7.7562400000e-01 -3.0764730000e+00  1.5260140000e+00  1.5546300000e-01 -3.6396110000e+00  2.6499500000e-01 -4.1729500000e-01  2.8346400000e+00 -7.3072600000e-01 -2.5982500000e-01  2.9662000000e+00  2.0422100000e-01 -1.1188310000e+00  3.4496580000e+00 -9.4480900000e-01
-ENERGY -1.526536069347e+02
-FORCES  1.6780000000e-04 -4.3315000000e-03  1.6167000000e-03 -1.3727000000e-03  1.1214000000e-03 -3.4426000000e-03  1.1825000000e-03  3.2932000000e-03  1.7166000000e-03 -2.1880000000e-03  2.5820000000e-03  3.1165000000e-03 -6.4270000000e-04 -2.1150000000e-04 -3.8148000000e-03  2.8531000000e-03 -2.4535000000e-03  8.0760000000e-04
-
-JOB 82
-COORDS -7.9345900000e-01  2.8836690000e+00  1.0802440000e+00 -4.3205100000e-01  3.1952330000e+00  2.5045900000e-01 -3.2742200000e-01  2.0656030000e+00  1.2528980000e+00  7.2471700000e-01 -2.8996600000e+00 -1.0820990000e+00  8.1010100000e-01 -2.9309180000e+00 -1.2922800000e-01  1.0372070000e+00 -2.0274460000e+00 -1.3225650000e+00
-ENERGY -1.526535619549e+02
-FORCES  3.1770000000e-03 -1.8397000000e-03 -2.6643000000e-03 -1.3829000000e-03 -1.4433000000e-03  3.4389000000e-03 -1.7476000000e-03  3.1684000000e-03 -8.0970000000e-04  1.6233000000e-03  3.0771000000e-03  2.8121000000e-03 -3.3740000000e-04  3.8350000000e-04 -3.9380000000e-03 -1.3324000000e-03 -3.3460000000e-03  1.1610000000e-03
-
-JOB 83
-COORDS -4.0155000000e-01 -2.3724970000e+00  2.1426870000e+00 -5.1858000000e-02 -2.4975020000e+00  3.0249120000e+00 -3.2895600000e-01 -3.2338190000e+00  1.7314860000e+00  4.3523000000e-01  2.4313670000e+00 -2.1364160000e+00  2.6191000000e-02  3.1362350000e+00 -2.6384910000e+00 -1.6853500000e-01  1.6936320000e+00 -2.2227120000e+00
-ENERGY -1.526540980267e+02
-FORCES  1.9379000000e-03 -3.9115000000e-03  2.0469000000e-03 -1.5002000000e-03  4.1730000000e-04 -3.5872000000e-03 -3.8590000000e-04  3.5197000000e-03  1.6007000000e-03 -4.2423000000e-03 -3.5740000000e-04 -2.0646000000e-03  1.6996000000e-03 -2.8154000000e-03  1.9900000000e-03  2.4909000000e-03  3.1473000000e-03  1.4100000000e-05
-
-JOB 84
-COORDS  4.1631000000e-01  1.0948630000e+00  3.1424110000e+00  1.3126000000e+00  1.1064630000e+00  3.4782120000e+00 -8.4461000000e-02  1.6071620000e+00  3.7772420000e+00 -4.7111500000e-01 -1.1269010000e+00 -3.2621020000e+00 -8.9490700000e-01 -1.1741870000e+00 -2.4051330000e+00  4.6380600000e-01 -1.0704430000e+00 -3.0647020000e+00
-ENERGY -1.526545210192e+02
-FORCES  1.5667000000e-03  2.2768000000e-03  4.1334000000e-03 -3.6462000000e-03 -9.7000000000e-05 -1.4468000000e-03  2.0734000000e-03 -2.1207000000e-03 -2.5941000000e-03  2.0630000000e-03  2.0210000000e-04  4.5984000000e-03  1.6406000000e-03  4.6500000000e-05 -3.7023000000e-03 -3.6976000000e-03 -3.0780000000e-04 -9.8870000000e-04
-
-JOB 85
-COORDS  8.7611600000e-01 -2.1973110000e+00 -2.7367010000e+00  7.9344000000e-02 -2.6332220000e+00 -3.0389710000e+00  6.5157200000e-01 -1.2668750000e+00 -2.7266480000e+00 -7.7786100000e-01  2.1796450000e+00  2.8043280000e+00 -7.9335400000e-01  2.6763630000e+00  1.9862430000e+00 -1.4650440000e+00  1.5217330000e+00  2.6986730000e+00
-ENERGY -1.526538296903e+02
-FORCES -4.0318000000e-03  1.9429000000e-03 -1.2552000000e-03  3.2206000000e-03  1.8434000000e-03  1.2894000000e-03  8.0330000000e-04 -3.7577000000e-03  8.2000000000e-06 -2.8045000000e-03 -7.0130000000e-04 -3.6345000000e-03  3.7200000000e-05 -2.0678000000e-03  3.2497000000e-03  2.7753000000e-03  2.7405000000e-03  3.4250000000e-04
-
-JOB 86
-COORDS -1.4129620000e+00  2.9235800000e+00 -1.5214480000e+00 -1.3316790000e+00  3.4647100000e+00 -7.3607900000e-01 -2.3543680000e+00  2.7791610000e+00 -1.6170020000e+00  1.4291830000e+00 -2.9091820000e+00  1.4372800000e+00  1.2990080000e+00 -3.8374830000e+00  1.6310430000e+00  2.1597170000e+00 -2.6472180000e+00  1.9975700000e+00
-ENERGY -1.526538307042e+02
-FORCES -3.4502000000e-03  1.3045000000e-03  2.9505000000e-03 -3.4110000000e-04 -2.0632000000e-03 -3.2370000000e-03  3.7884000000e-03  7.1140000000e-04  3.2780000000e-04  2.5138000000e-03 -2.6446000000e-03  2.9418000000e-03  4.9440000000e-04  3.7858000000e-03 -7.6580000000e-04 -3.0053000000e-03 -1.0938000000e-03 -2.2172000000e-03
-
-JOB 87
-COORDS -1.3026600000e+00  3.0384350000e+00 -2.3239340000e+00 -1.3189160000e+00  3.4846210000e+00 -1.4772420000e+00 -1.8267840000e+00  3.5958820000e+00 -2.8990670000e+00  1.3461120000e+00 -3.1169850000e+00  2.3652860000e+00  5.0375100000e-01 -2.8036630000e+00  2.0359100000e+00  1.9377450000e+00 -3.0471560000e+00  1.6160690000e+00
-ENERGY -1.526543081447e+02
-FORCES -2.2195000000e-03  4.2247000000e-03  1.0365000000e-03  7.1000000000e-05 -1.9041000000e-03 -3.4346000000e-03  2.1366000000e-03 -2.2905000000e-03  2.3633000000e-03 -1.0397000000e-03  1.6055000000e-03 -4.5264000000e-03  3.4128000000e-03 -1.3041000000e-03  1.4476000000e-03 -2.3613000000e-03 -3.3140000000e-04  3.1136000000e-03
-
-JOB 88
-COORDS  1.2885900000e-01 -4.1172220000e+00  4.4841370000e+00 -4.9997000000e-01 -3.9987440000e+00  5.1960140000e+00  9.8135300000e-01 -4.1425290000e+00  4.9187010000e+00 -1.1207200000e-01  4.0706300000e+00 -4.5945000000e+00 -3.4671100000e-01  3.8677530000e+00 -3.6889520000e+00 -3.9082200000e-01  4.9780990000e+00 -4.7170960000e+00
-ENERGY -1.526540712781e+02
-FORCES  9.2860000000e-04  3.4000000000e-04  4.6723000000e-03  2.5601000000e-03 -4.6310000000e-04 -2.9079000000e-03 -3.4867000000e-03  1.1910000000e-04 -1.7675000000e-03 -2.1010000000e-03  2.8234000000e-03  3.2160000000e-03  9.5820000000e-04  8.6820000000e-04 -3.7055000000e-03  1.1408000000e-03 -3.6876000000e-03  4.9260000000e-04
-
-JOB 89
-COORDS  2.7498680000e+00  5.3157900000e+00  4.1657290000e+00  2.1474520000e+00  4.8396950000e+00  4.7372710000e+00  2.7197340000e+00  4.8399920000e+00  3.3357050000e+00 -2.7024300000e+00 -5.2273350000e+00 -4.2081550000e+00 -2.3158260000e+00 -6.0715460000e+00 -3.9756070000e+00 -3.3242430000e+00 -5.0458590000e+00 -3.5034230000e+00
-ENERGY -1.526540720960e+02
-FORCES -2.5770000000e-03 -3.8751000000e-03 -1.0739000000e-03  2.4555000000e-03  1.9373000000e-03 -2.3234000000e-03  1.2060000000e-04  1.9364000000e-03  3.3997000000e-03 -9.7770000000e-04 -2.7342000000e-03  3.7931000000e-03 -1.5719000000e-03  3.4580000000e-03 -9.3510000000e-04  2.5505000000e-03 -7.2240000000e-04 -2.8604000000e-03
-
-JOB 0
-COORDS -2.5612200000e-01  1.2559670000e+00 -1.4492200000e-01  3.2518700000e-01  1.0577700000e+00 -8.7910900000e-01 -1.5169500000e-01  2.1968640000e+00 -3.3550000000e-03  2.5161100000e-01 -1.3339700000e+00  2.1679800000e-01 -3.0027800000e-01 -1.5946070000e+00 -5.2057500000e-01  1.3096400000e-01 -3.8677300000e-01  2.8382600000e-01
-ENERGY -1.526567095608e+02
-FORCES  2.9635000000e-03 -3.2543000000e-03  1.2840000000e-03 -3.6345000000e-03 -2.2268000000e-03  6.8216000000e-03  1.4400000000e-05 -4.6376000000e-03 -2.7902000000e-03 -6.9039000000e-03  1.2675100000e-02  4.7780000000e-04  2.7361000000e-03  1.8028000000e-03  1.0645000000e-03  4.8244000000e-03 -4.3592000000e-03 -6.8578000000e-03
-
-JOB 1
-COORDS -5.8597100000e-01 -4.6189000000e-02  1.2425170000e+00  1.5089800000e-01 -1.8818000000e-01  1.8367330000e+00 -1.8015700000e-01  1.0602900000e-01  3.8906700000e-01  5.0857400000e-01  9.0130000000e-02 -1.1785860000e+00  1.1355980000e+00 -6.3091100000e-01 -1.2349130000e+00 -1.2456000000e-02  1.8101000000e-02 -1.9783190000e+00
-ENERGY -1.526591466164e+02
-FORCES  8.0297000000e-03  2.0272000000e-03 -1.5137800000e-02 -9.7680000000e-04 -2.6170000000e-04 -3.2610000000e-03 -2.4551000000e-03 -1.2156000000e-03  9.3360000000e-03 -4.8601000000e-03 -3.8166000000e-03  4.9517000000e-03 -3.5372000000e-03  3.8389000000e-03  5.6220000000e-04  3.7995000000e-03 -5.7210000000e-04  3.5490000000e-03
-
-JOB 2
-COORDS -1.1997220000e+00 -1.9135100000e-01  6.6746100000e-01 -8.5593600000e-01  1.7269200000e-01  1.4832520000e+00 -4.6966700000e-01 -1.3109200000e-01  5.1328000000e-02  1.1070550000e+00  1.8511600000e-01 -6.2359100000e-01  8.2185900000e-01  3.5685500000e-01 -1.5210330000e+00  1.8858870000e+00 -3.6293100000e-01 -7.2000400000e-01
-ENERGY -1.526581366341e+02
-FORCES  1.7351500000e-02  3.1464000000e-03 -4.5854000000e-03 -1.5295000000e-03 -1.2720000000e-03 -1.1560000000e-03 -8.3321000000e-03  6.1760000000e-04 -2.4128000000e-03 -3.4197000000e-03 -3.4736000000e-03  2.2583000000e-03 -4.6650000000e-04 -2.8090000000e-03  6.5061000000e-03 -3.6036000000e-03  3.7906000000e-03 -6.1010000000e-04
-
-JOB 3
-COORDS -9.8690500000e-01  8.4190300000e-01  7.5291000000e-02 -9.1239000000e-01  1.7718690000e+00 -1.3881700000e-01 -1.1591960000e+00  8.2543900000e-01  1.0167140000e+00  1.0051000000e+00 -9.6137800000e-01 -1.3283500000e-01  1.6330960000e+00 -3.0669200000e-01  1.7251800000e-01  1.6722800000e-01 -4.9901000000e-01 -1.5327300000e-01
-ENERGY -1.526583301717e+02
-FORCES  5.9043000000e-03 -8.8040000000e-04  2.4950000000e-04 -5.1300000000e-04 -4.1289000000e-03  2.8786000000e-03  2.3717000000e-03  7.5300000000e-05 -5.3495000000e-03 -1.0197100000e-02  1.3939200000e-02  4.2700000000e-04 -7.9790000000e-04 -1.7727000000e-03 -2.7910000000e-04  3.2320000000e-03 -7.2325000000e-03  2.0735000000e-03
-
-JOB 4
-COORDS  1.0661800000e-01  1.2048140000e+00  4.6592800000e-01  2.3228700000e-01  1.7821920000e+00  1.2189710000e+00 -4.0336000000e-02  1.7988840000e+00 -2.7008700000e-01 -1.5835000000e-01 -1.3139280000e+00 -4.8507500000e-01  7.6658400000e-01 -1.5578510000e+00 -5.2014600000e-01 -1.5730300000e-01 -4.1580000000e-01 -1.5402100000e-01
-ENERGY -1.526596234224e+02
-FORCES -8.9160000000e-04 -3.7824000000e-03  3.3560000000e-04 -1.6430000000e-04 -7.0330000000e-04 -5.0385000000e-03  8.0680000000e-04 -3.5852000000e-03  4.3241000000e-03  4.2615000000e-03  1.2053700000e-02  6.9084000000e-03 -2.3282000000e-03  5.5860000000e-04 -5.9600000000e-05 -1.6842000000e-03 -4.5414000000e-03 -6.4700000000e-03
-
-JOB 5
-COORDS  4.4054600000e-01 -1.2419240000e+00  1.0557800000e-01  5.1463000000e-02 -1.7523870000e+00  8.1570100000e-01  2.5389100000e-01 -1.7488840000e+00 -6.8460100000e-01 -3.9777200000e-01  1.3649380000e+00 -9.9569000000e-02 -1.2409230000e+00  9.2492100000e-01 -2.0779300000e-01  2.2918500000e-01  6.5352500000e-01  3.0997000000e-02
-ENERGY -1.526586494307e+02
-FORCES -3.6401000000e-03  1.7186000000e-03 -7.1300000000e-04  9.9870000000e-04  2.1477000000e-03 -4.4158000000e-03 -1.9440000000e-04  2.1725000000e-03  4.5388000000e-03  2.2287000000e-03 -1.5652400000e-02  1.0474000000e-03  4.6140000000e-04  2.1598000000e-03 -1.0930000000e-04  1.4570000000e-04  7.4537000000e-03 -3.4810000000e-04
-
-JOB 6
-COORDS  7.0287400000e-01  8.4614500000e-01 -7.4530500000e-01  5.6025700000e-01  6.6465100000e-01 -1.6742570000e+00  2.9782600000e-01  1.7016630000e+00 -6.0298200000e-01 -7.0639400000e-01 -8.8167000000e-01  8.4677000000e-01 -1.8498600000e-01 -2.4113400000e-01  3.6295100000e-01 -5.8290800000e-01 -1.7017910000e+00  3.6887400000e-01
-ENERGY -1.526599825755e+02
-FORCES -4.5593000000e-03 -8.1900000000e-04 -1.2207000000e-03  4.7670000000e-04  1.0695000000e-03  4.9659000000e-03  1.3961000000e-03 -5.7888000000e-03 -5.9900000000e-04  9.7865000000e-03  7.2668000000e-03 -1.0225400000e-02 -6.6952000000e-03 -4.1850000000e-03  6.5963000000e-03 -4.0490000000e-04  2.4565000000e-03  4.8280000000e-04
-
-JOB 7
-COORDS  1.7229900000e-01  1.2985890000e+00 -9.8453000000e-02 -3.2692600000e-01  1.6253420000e+00  6.5003800000e-01  7.3593300000e-01  2.0305660000e+00 -3.4897200000e-01 -2.3327800000e-01 -1.3810550000e+00  8.6808000000e-02  4.1552000000e-02 -4.6619500000e-01  2.5723000000e-02  5.4841600000e-01 -1.8824590000e+00 -1.4510000000e-01
-ENERGY -1.526601276279e+02
-FORCES  1.5300000000e-04 -2.4307000000e-03  7.8110000000e-04  3.5302000000e-03 -1.7724000000e-03 -4.1531000000e-03 -3.5546000000e-03 -2.1965000000e-03  2.2403000000e-03  4.9649000000e-03  1.1850500000e-02 -2.7740000000e-03 -3.3633000000e-03 -7.6868000000e-03  3.5791000000e-03 -1.7303000000e-03  2.2360000000e-03  3.2670000000e-04
-
-JOB 8
-COORDS  7.2280800000e-01 -1.2085120000e+00 -8.7602000000e-02  1.5420200000e-01 -4.8104800000e-01  1.6481800000e-01  1.1996600000e-01 -1.9088510000e+00 -3.3727900000e-01 -6.1995200000e-01  1.2148380000e+00  2.5358000000e-02 -3.1674000000e-01  1.3459180000e+00  9.2375300000e-01 -1.5308390000e+00  9.3561700000e-01  1.1783100000e-01
-ENERGY -1.526557634089e+02
-FORCES -7.9969000000e-03  1.0608100000e-02 -2.2708000000e-03  2.7093000000e-03 -7.9623000000e-03  6.0238000000e-03  8.0290000000e-04  3.3711000000e-03  1.0302000000e-03 -1.2634000000e-03  1.0665000000e-03  1.6410000000e-03 -9.3150000000e-04 -5.5494000000e-03 -6.1438000000e-03  6.6796000000e-03 -1.5340000000e-03 -2.8030000000e-04
-
-JOB 9
-COORDS -1.1710690000e+00  7.1234700000e-01  3.1284000000e-01 -1.4315830000e+00  1.4608690000e+00 -2.2389000000e-01 -4.1333700000e-01  3.4362800000e-01 -1.4116500000e-01  1.1082960000e+00 -6.8386700000e-01 -2.3428100000e-01  1.9068840000e+00 -7.2000300000e-01 -7.6076400000e-01  9.2495600000e-01 -1.5970060000e+00 -1.3382000000e-02
-ENERGY -1.526603795246e+02
-FORCES  1.0035400000e-02 -3.7879000000e-03 -3.8507000000e-03  2.2849000000e-03 -2.5579000000e-03  8.5860000000e-04 -9.0076000000e-03  3.6708000000e-03  1.4096000000e-03 -1.6023000000e-03 -9.6260000000e-04  9.0160000000e-04 -3.6533000000e-03 -8.7980000000e-04  2.7505000000e-03  1.9430000000e-03  4.5174000000e-03 -2.0696000000e-03
-
-JOB 10
-COORDS  4.0028200000e-01 -3.0372400000e-01 -1.3269780000e+00  1.5487000000e-02 -3.8089100000e-01 -4.5393200000e-01  1.2012370000e+00 -8.2601700000e-01 -1.2832420000e+00 -3.6808900000e-01  3.3053800000e-01  1.2333870000e+00 -9.6228000000e-01  1.0808670000e+00  1.2466140000e+00 -7.3875500000e-01 -2.8037500000e-01  1.8702720000e+00
-ENERGY -1.526597541712e+02
-FORCES -1.1606000000e-03  2.0243000000e-03  1.2998100000e-02  1.3473000000e-03 -4.3849000000e-03 -8.8212000000e-03 -2.6762000000e-03  1.1832000000e-03  7.2830000000e-04 -1.9344000000e-03  3.1639000000e-03 -1.5477000000e-03  2.4418000000e-03 -4.5942000000e-03  1.1752000000e-03  1.9821000000e-03  2.6077000000e-03 -4.5326000000e-03
-
-JOB 11
-COORDS  7.6629300000e-01 -1.3129700000e-01 -1.1893210000e+00  1.2652520000e+00  6.8229700000e-01 -1.2623720000e+00  2.6088800000e-01 -3.1256000000e-02 -3.8260500000e-01 -7.0963800000e-01  8.8520000000e-02  1.1109260000e+00 -1.5730150000e+00  4.9426500000e-01  1.0322950000e+00 -8.0984300000e-01 -5.5490300000e-01  1.8124940000e+00
-ENERGY -1.526612843878e+02
-FORCES -5.6606000000e-03  2.4124000000e-03  1.1865900000e-02 -2.1128000000e-03 -1.8940000000e-03  8.1190000000e-04  4.6235000000e-03  4.6260000000e-04 -8.6704000000e-03  3.0000000000e-06 -2.5615000000e-03 -2.3288000000e-03  4.3171000000e-03 -2.3968000000e-03  1.1817000000e-03 -1.1702000000e-03  3.9772000000e-03 -2.8604000000e-03
-
-JOB 12
-COORDS  6.6769800000e-01  1.3571500000e-01  1.2346950000e+00  1.1334530000e+00 -6.3706800000e-01  1.5542400000e+00  3.9185500000e-01 -9.9587000000e-02  3.4881900000e-01 -6.3446200000e-01 -9.1947000000e-02 -1.1494550000e+00 -4.4801100000e-01  4.0561200000e-01 -1.9456350000e+00 -1.5671270000e+00 -2.9896300000e-01 -1.2087160000e+00
-ENERGY -1.526606589518e+02
-FORCES -4.9746000000e-03 -2.3081000000e-03 -1.0443100000e-02 -2.1941000000e-03  1.7526000000e-03 -2.3525000000e-03  5.9390000000e-03 -2.5620000000e-04  7.7673000000e-03 -9.8330000000e-04  2.1618000000e-03  3.4220000000e-03 -2.0639000000e-03 -2.6646000000e-03  3.3793000000e-03  4.2770000000e-03  1.3144000000e-03 -1.7730000000e-03
-
-JOB 13
-COORDS -8.5801800000e-01 -8.5087400000e-01  5.4774800000e-01 -1.5027840000e+00 -6.1948400000e-01  1.2163040000e+00 -1.3247810000e+00 -1.4443460000e+00 -4.0601000000e-02  9.4216900000e-01  9.0245200000e-01 -6.0443000000e-01  1.3594550000e+00  8.8805300000e-01  2.5690500000e-01  1.7580100000e-01  3.3688800000e-01 -5.0930400000e-01
-ENERGY -1.526592668529e+02
-FORCES -1.1638000000e-03  1.6827000000e-03  4.1830000000e-04  3.1364000000e-03 -2.0845000000e-03 -3.3253000000e-03  2.4844000000e-03  4.6347000000e-03  2.4016000000e-03 -7.7385000000e-03 -9.3307000000e-03  9.4478000000e-03  1.5430000000e-04  1.7008000000e-03 -2.1844000000e-03  3.1272000000e-03  3.3969000000e-03 -6.7580000000e-03
-
-JOB 14
-COORDS -5.3998400000e-01  7.6969200000e-01 -1.0598650000e+00 -2.6645800000e-01  1.4808700000e-01 -3.8531200000e-01 -1.3377570000e+00  3.8932000000e-01 -1.4274350000e+00  5.9590300000e-01 -7.2681600000e-01  9.7697600000e-01  1.0217050000e+00 -1.9788500000e-01  1.6516290000e+00 -2.3673200000e-01 -9.9046200000e-01  1.3686910000e+00
-ENERGY -1.526589272144e+02
-FORCES  5.6905000000e-03 -7.7295000000e-03  7.5686000000e-03 -9.1213000000e-03  3.8910000000e-03 -5.7568000000e-03  2.7693000000e-03 -2.2540000000e-04  3.1991000000e-03  2.0670000000e-04  4.1941000000e-03  3.0719000000e-03 -2.7170000000e-03 -3.6682000000e-03 -2.6422000000e-03  3.1718000000e-03  3.5380000000e-03 -5.4405000000e-03
-
-JOB 15
-COORDS  1.1277290000e+00 -4.7404300000e-01  5.3115200000e-01  1.8551830000e+00 -7.8059300000e-01 -1.0207000000e-02  9.9688000000e-01 -1.1708620000e+00  1.1742340000e+00 -1.1909870000e+00  5.0690100000e-01 -5.9617500000e-01 -3.9208200000e-01  2.1220200000e-01 -1.5898700000e-01 -1.5117790000e+00  1.2253810000e+00 -5.1097000000e-02
-ENERGY -1.526615643329e+02
-FORCES -1.2982000000e-03 -2.2081000000e-03 -2.6794000000e-03 -3.2322000000e-03  4.2750000000e-04  3.8578000000e-03  1.1738000000e-03  3.4436000000e-03 -3.5423000000e-03  1.1122800000e-02 -2.6711000000e-03  6.2263000000e-03 -9.3920000000e-03  3.5812000000e-03 -3.1490000000e-03  1.6259000000e-03 -2.5732000000e-03 -7.1340000000e-04
-
-JOB 16
-COORDS -3.5439000000e-01 -3.7732800000e-01  1.2295520000e+00 -1.3359100000e-01  9.9462000000e-02  2.0296460000e+00 -3.0705500000e-01 -1.3001570000e+00  1.4793070000e+00  3.7602000000e-01  4.1413200000e-01 -1.3419210000e+00 -4.9140500000e-01  7.6952600000e-01 -1.1482730000e+00  5.6666300000e-01 -1.6779400000e-01 -6.0622400000e-01
-ENERGY -1.526585120295e+02
-FORCES  9.1490000000e-04  9.8940000000e-04  1.9292000000e-03 -1.4724000000e-03 -2.9284000000e-03 -3.7062000000e-03  1.1929000000e-03  4.9922000000e-03 -2.3275000000e-03 -6.1801000000e-03 -2.5290000000e-03  1.3207200000e-02  1.8427000000e-03  1.0066000000e-03 -3.3094000000e-03  3.7021000000e-03 -1.5308000000e-03 -5.7933000000e-03
-
-JOB 17
-COORDS  1.3778660000e+00  3.2503600000e-01 -3.7761000000e-02  1.9224200000e+00  1.4426100000e-01 -8.0392900000e-01  5.1772200000e-01 -2.7434000000e-02 -2.6612100000e-01 -1.3352660000e+00 -2.6829700000e-01  3.1094000000e-02 -1.6098430000e+00 -1.1736100000e+00  1.7686300000e-01 -1.4690490000e+00  1.6199800000e-01  8.7559400000e-01
-ENERGY -1.526614809926e+02
-FORCES -1.0382100000e-02 -2.7554000000e-03 -2.4540000000e-03 -3.2578000000e-03 -4.6530000000e-04  1.9040000000e-03  1.1147800000e-02  1.7438000000e-03  1.5600000000e-04  2.7200000000e-04  2.4440000000e-04  5.4310000000e-03  2.0189000000e-03  4.5130000000e-03 -5.5990000000e-04  2.0110000000e-04 -3.2805000000e-03 -4.4771000000e-03
-
-JOB 18
-COORDS -4.0513900000e-01  1.0789390000e+00  7.2281000000e-01 -2.8741600000e-01  1.9210640000e+00  2.8326700000e-01 -1.3539970000e+00  9.7880400000e-01  7.9945000000e-01  4.0006400000e-01 -1.1373950000e+00 -7.3735900000e-01  1.2542000000e+00 -1.5692000000e+00 -7.5244700000e-01  5.0610400000e-01 -4.1737700000e-01 -1.1561800000e-01
-ENERGY -1.526607977352e+02
-FORCES -4.5973000000e-03 -8.1750000000e-04 -4.0383000000e-03 -6.4940000000e-04 -4.0026000000e-03  2.0601000000e-03  4.2972000000e-03  2.2459000000e-03  4.8700000000e-05 -1.1622000000e-03  7.4403000000e-03  6.1498000000e-03 -2.5361000000e-03  3.2143000000e-03  1.1402000000e-03  4.6478000000e-03 -8.0804000000e-03 -5.3605000000e-03
-
-JOB 19
-COORDS -1.1562900000e+00 -2.3652800000e-01  6.8777600000e-01 -1.6753820000e+00  1.5213500000e-01 -1.6295000000e-02 -1.4369100000e+00  2.2702400000e-01  1.4768290000e+00  1.2544900000e+00  1.8366800000e-01 -6.5048200000e-01  1.2555240000e+00  3.9280200000e-01 -1.5845560000e+00  3.3286800000e-01  3.5205000000e-02 -4.3881400000e-01
-ENERGY -1.526568204555e+02
-FORCES  2.3950000000e-04  4.3950000000e-03  3.3419000000e-03  7.4614000000e-03 -1.6296000000e-03  1.5777000000e-03 -4.4910000000e-04 -2.6003000000e-03 -4.2042000000e-03 -8.1806000000e-03 -2.2991000000e-03  4.8303000000e-03 -2.5907000000e-03 -6.8220000000e-04  3.8118000000e-03  3.5196000000e-03  2.8162000000e-03 -9.3575000000e-03
-
-JOB 20
-COORDS  6.6308000000e-02  2.8086600000e-01  1.3067790000e+00 -2.2788300000e-01  1.1555710000e+00  1.5608960000e+00  6.8906300000e-01  2.9539000000e-02  1.9888660000e+00 -9.0659000000e-02 -3.7088200000e-01 -1.4057230000e+00 -5.4755000000e-02  5.6573500000e-01 -1.5998640000e+00 -3.6867000000e-02 -4.2037700000e-01 -4.5131800000e-01
-ENERGY -1.526597233653e+02
-FORCES  5.0100000000e-04  1.8882000000e-03 -1.1405000000e-03  2.4111000000e-03 -3.9417000000e-03 -5.6440000000e-04 -3.2713000000e-03  2.0406000000e-03 -2.9775000000e-03  1.3197000000e-03  5.7622000000e-03  1.2234800000e-02 -5.9850000000e-04 -2.0151000000e-03 -4.0030000000e-04 -3.6200000000e-04 -3.7342000000e-03 -7.1521000000e-03
-
-JOB 21
-COORDS  6.2426400000e-01  3.2863300000e-01  1.2557700000e+00  1.0859440000e+00 -4.3687100000e-01  1.5979500000e+00  2.7501300000e-01  4.1026000000e-02  4.1224200000e-01 -5.7878800000e-01 -2.3723800000e-01 -1.1920940000e+00 -8.3195500000e-01 -8.9482000000e-02 -2.1033060000e+00 -1.1872270000e+00 -9.0681400000e-01 -8.7952300000e-01
-ENERGY -1.526591540709e+02
-FORCES -1.5507000000e-03 -2.1289000000e-03 -9.5845000000e-03 -2.4509000000e-03  1.7008000000e-03 -1.9931000000e-03  4.7240000000e-04 -2.6554000000e-03  9.0202000000e-03 -6.4790000000e-04  1.8823000000e-03 -9.4800000000e-04 -6.0860000000e-04 -2.3166000000e-03  4.0930000000e-03  4.7858000000e-03  3.5178000000e-03 -5.8750000000e-04
-
-JOB 22
-COORDS  9.2161300000e-01  8.6333200000e-01 -4.8861600000e-01  1.3990910000e+00  7.3775800000e-01 -1.3086630000e+00  1.5314790000e+00  1.3412520000e+00  7.3424000000e-02 -9.8041300000e-01 -9.2319100000e-01  5.5598200000e-01 -2.9992900000e-01 -3.3302800000e-01  2.3213100000e-01 -1.7067720000e+00 -8.1146300000e-01 -5.7331000000e-02
-ENERGY -1.526615536899e+02
-FORCES  1.8541000000e-03 -1.1987000000e-03  2.7330000000e-04 -1.7107000000e-03  1.6583000000e-03  4.1910000000e-03 -2.2659000000e-03 -2.4135000000e-03 -3.7584000000e-03  6.2394000000e-03  8.4862000000e-03 -6.1931000000e-03 -6.3760000000e-03 -6.0544000000e-03  4.2361000000e-03  2.2592000000e-03 -4.7790000000e-04  1.2511000000e-03
-
-JOB 23
-COORDS  1.8982800000e-01  3.0068600000e-01 -1.3410630000e+00 -2.6835700000e-01  1.0408030000e+00 -1.7392140000e+00  1.0541050000e+00  6.4581700000e-01 -1.1171430000e+00 -2.2293400000e-01 -3.8537600000e-01  1.4135400000e+00  5.1576500000e-01 -6.3918700000e-01  8.6024400000e-01 -7.3444600000e-01  2.1448700000e-01  8.7063000000e-01
-ENERGY -1.526553866932e+02
-FORCES  1.7827000000e-03  3.5405000000e-03  2.0500000000e-05  1.5986000000e-03 -3.4077000000e-03  3.4243000000e-03 -4.5801000000e-03 -3.1632000000e-03  1.0041000000e-03  2.7100000000e-04  1.5293000000e-03 -1.3347200000e-02  2.0254000000e-03  6.3970000000e-04  3.6252000000e-03 -1.0976000000e-03  8.6150000000e-04  5.2732000000e-03
-
-JOB 24
-COORDS  7.0521600000e-01 -8.9899800000e-01 -9.2618600000e-01  4.6171100000e-01 -4.6296600000e-01 -1.7427730000e+00  2.1318600000e-01 -4.3370200000e-01 -2.4969700000e-01 -6.2853200000e-01  7.9215800000e-01  9.5080500000e-01 -3.5948700000e-01  1.7098610000e+00  9.9163100000e-01 -1.5045970000e+00  8.1580400000e-01  5.6586100000e-01
-ENERGY -1.526600124189e+02
-FORCES -5.1787000000e-03  8.4648000000e-03  6.3530000000e-03  1.3730000000e-04 -9.0510000000e-04  2.6605000000e-03  1.8866000000e-03 -6.8991000000e-03 -7.7368000000e-03 -2.3040000000e-04  4.3307000000e-03 -8.4900000000e-04 -2.6773000000e-03 -4.2859000000e-03 -5.1760000000e-04  6.0626000000e-03 -7.0540000000e-04  8.9800000000e-05
-
-JOB 25
-COORDS -1.8510200000e-01  6.4688600000e-01 -1.1679200000e+00 -8.3389800000e-01  7.5451700000e-01 -1.8634130000e+00  6.0903200000e-01  1.0526870000e+00 -1.5156410000e+00  2.2840200000e-01 -6.6129400000e-01  1.2738270000e+00 -1.6170000000e-03 -3.4598600000e-01  3.9981100000e-01 -4.4526900000e-01 -1.3092190000e+00  1.4802040000e+00
-ENERGY -1.526610812505e+02
-FORCES  1.0415000000e-03  4.6610000000e-04 -1.9890000000e-04  3.7977000000e-03  2.2570000000e-04  2.3837000000e-03 -4.7117000000e-03 -1.7118000000e-03  4.9650000000e-04 -3.9967000000e-03  3.5051000000e-03 -9.3786000000e-03  2.4394000000e-03 -4.6967000000e-03  8.1633000000e-03  1.4297000000e-03  2.2116000000e-03 -1.4660000000e-03
-
-JOB 26
-COORDS  1.1739810000e+00 -9.5662000000e-02 -8.7236200000e-01  1.4641400000e+00 -9.9864200000e-01 -1.0014620000e+00  4.7288000000e-01 -1.5928000000e-01 -2.2379300000e-01 -1.1282930000e+00  9.1949000000e-02  8.2395000000e-01 -9.6677500000e-01  5.0525500000e-01  1.6720790000e+00 -1.6328220000e+00  7.4059200000e-01  3.3308900000e-01
-ENERGY -1.526622729882e+02
-FORCES -7.9460000000e-03 -2.5122000000e-03  6.4934000000e-03 -1.4527000000e-03  2.6173000000e-03  1.0702000000e-03  9.0438000000e-03  7.7000000000e-05 -6.7448000000e-03 -1.8860000000e-03  4.7427000000e-03  6.5180000000e-04 -7.4520000000e-04 -1.7676000000e-03 -4.6683000000e-03  2.9860000000e-03 -3.1572000000e-03  3.1977000000e-03
-
-JOB 27
-COORDS  6.5849000000e-01  8.2923700000e-01  1.0206790000e+00  2.4327000000e-02  9.2725600000e-01  1.7309340000e+00  3.2347900000e-01  1.0013400000e-01  4.9875200000e-01 -5.8283400000e-01 -7.9752900000e-01 -9.6607800000e-01 -6.3880200000e-01 -1.4999160000e+00 -1.6139610000e+00 -8.3095300000e-01 -7.6340000000e-03 -1.4464260000e+00
-ENERGY -1.526613755603e+02
-FORCES -4.6752000000e-03 -7.2923000000e-03 -3.0212000000e-03  1.6147000000e-03 -2.5790000000e-04 -2.7001000000e-03  2.2827000000e-03  7.6647000000e-03  4.9119000000e-03  3.8300000000e-04  4.6880000000e-04 -3.3731000000e-03 -7.6940000000e-04  4.1946000000e-03  1.6890000000e-03  1.1642000000e-03 -4.7779000000e-03  2.4935000000e-03
-
-JOB 28
-COORDS  7.9036700000e-01  8.8832600000e-01  8.9591900000e-01  1.4973570000e+00  2.5015900000e-01  9.9152200000e-01  9.3768000000e-02  4.0931200000e-01  4.4700200000e-01 -8.3961700000e-01 -7.8169800000e-01 -8.3776600000e-01 -1.5140400000e-01 -4.6114200000e-01 -1.4207230000e+00 -7.4923200000e-01 -1.7343410000e+00 -8.6084700000e-01
-ENERGY -1.526593016588e+02
-FORCES -5.3409000000e-03 -8.6304000000e-03 -2.7355000000e-03 -1.8853000000e-03  2.0198000000e-03 -1.1580000000e-03  7.1421000000e-03  6.5627000000e-03  8.6940000000e-04  2.3302000000e-03 -3.5578000000e-03 -2.9316000000e-03 -2.6892000000e-03 -1.2468000000e-03  6.4258000000e-03  4.4310000000e-04  4.8525000000e-03 -4.7000000000e-04
-
-JOB 29
-COORDS -6.0375800000e-01  6.7362700000e-01 -1.0999960000e+00  2.9702300000e-01  9.7619000000e-01 -1.2152400000e+00 -1.0950090000e+00  1.4632660000e+00 -8.7333600000e-01  6.0440700000e-01 -7.9148100000e-01  1.1137770000e+00  7.5244500000e-01  7.4562000000e-02  1.4936280000e+00  2.3808000000e-02 -6.3118900000e-01  3.6984000000e-01
-ENERGY -1.526592084844e+02
-FORCES  1.6492000000e-03  4.8111000000e-03 -2.2700000000e-05 -4.9446000000e-03 -1.8528000000e-03  2.5092000000e-03  3.3896000000e-03 -3.5009000000e-03 -6.1380000000e-04 -6.4189000000e-03  6.8211000000e-03 -5.9024000000e-03  6.0690000000e-04 -2.1847000000e-03 -1.1711000000e-03  5.7177000000e-03 -4.0938000000e-03  5.2008000000e-03
-
-JOB 30
-COORDS  1.9341800000e-01  1.3028230000e+00  6.4285100000e-01 -3.4975900000e-01  1.9985330000e+00  2.7247600000e-01  3.2396900000e-01  6.8953500000e-01 -8.0381000000e-02 -2.0173600000e-01 -1.2855130000e+00 -6.3735600000e-01  7.2804700000e-01 -1.3454820000e+00 -4.1795200000e-01 -6.5412400000e-01 -1.5880880000e+00  1.5006000000e-01
-ENERGY -1.526578591756e+02
-FORCES -4.1173000000e-03 -4.5481000000e-03 -7.4245000000e-03  1.7018000000e-03 -2.5752000000e-03  1.3289000000e-03  5.4944000000e-03  4.3812000000e-03  4.5177000000e-03 -4.6960000000e-04 -2.3762000000e-03  7.3664000000e-03 -4.9034000000e-03  4.9299000000e-03 -1.2970000000e-03  2.2941000000e-03  1.8830000000e-04 -4.4916000000e-03
-
-JOB 31
-COORDS -3.3790900000e-01  1.1912720000e+00 -6.0433900000e-01  1.8428100000e-01  1.8556700000e+00 -1.0539240000e+00 -1.1579590000e+00  1.1567810000e+00 -1.0968430000e+00  3.3812600000e-01 -1.2641300000e+00  7.1246600000e-01  1.0871140000e+00 -1.3646800000e+00  1.2498100000e-01 -1.4527600000e-01 -5.1722500000e-01  3.5935400000e-01
-ENERGY -1.526594477311e+02
-FORCES  1.8687000000e-03  1.7107000000e-03 -1.9533000000e-03 -3.4530000000e-03 -2.7758000000e-03  9.5210000000e-04  4.5420000000e-03 -7.4560000000e-04  2.7993000000e-03  5.8900000000e-04  1.0033800000e-02 -6.9938000000e-03 -1.3201000000e-03 -8.7600000000e-04  2.0353000000e-03 -2.2266000000e-03 -7.3471000000e-03  3.1604000000e-03
-
-JOB 32
-COORDS  6.9700700000e-01 -4.1335600000e-01  1.1499280000e+00  6.9461100000e-01 -9.9252600000e-01  1.9120220000e+00  1.3417760000e+00 -7.9945100000e-01  5.5710700000e-01 -7.9406000000e-01  4.9202400000e-01 -1.1785620000e+00 -5.2536500000e-01  1.7584600000e-01 -3.1596900000e-01 -7.9560000000e-03  4.1250700000e-01 -1.7188860000e+00
-ENERGY -1.526591465477e+02
-FORCES  2.1153000000e-03 -3.7736000000e-03  1.6605000000e-03  1.1921000000e-03  2.4596000000e-03 -3.9031000000e-03 -4.6117000000e-03  2.4417000000e-03  1.5894000000e-03  5.7961000000e-03 -2.2794000000e-03  7.4247000000e-03 -2.6680000000e-03  1.7309000000e-03 -8.7972000000e-03 -1.8237000000e-03 -5.7920000000e-04  2.0257000000e-03
-
-JOB 33
-COORDS -9.4896600000e-01 -5.4062400000e-01 -8.7440400000e-01 -1.7564380000e+00 -3.5986100000e-01 -1.3555970000e+00 -7.7515000000e-01 -1.4677650000e+00 -1.0369760000e+00  1.0396640000e+00  5.5850900000e-01  9.3668700000e-01  4.1065800000e-01  1.9849200000e-01  3.1141000000e-01  7.0170400000e-01  1.4301700000e+00  1.1421660000e+00
-ENERGY -1.526610454278e+02
-FORCES -2.0220000000e-03 -1.0855000000e-03 -1.4264000000e-03  3.3207000000e-03 -2.2854000000e-03  1.6037000000e-03 -1.2207000000e-03  4.8250000000e-03  5.5500000000e-04 -8.4727000000e-03 -2.2530000000e-04 -5.7009000000e-03  7.3574000000e-03  1.0504000000e-03  5.4761000000e-03  1.0374000000e-03 -2.2791000000e-03 -5.0750000000e-04
-
-JOB 34
-COORDS -4.8822000000e-01  5.7797100000e-01  1.2121680000e+00 -1.3120730000e+00  9.4001000000e-02  1.1549830000e+00 -7.5317500000e-01  1.4872850000e+00  1.3506540000e+00  5.9770200000e-01 -6.5129000000e-01 -1.2025560000e+00  2.9252300000e-01  4.4052000000e-02 -6.1980700000e-01  1.4650700000e-01 -4.8589700000e-01 -2.0303840000e+00
-ENERGY -1.526599243366e+02
-FORCES -4.7627000000e-03 -3.0250000000e-04  3.3375000000e-03  4.0770000000e-03  3.7096000000e-03 -7.1440000000e-04  1.1124000000e-03 -4.7347000000e-03 -1.9066000000e-03 -2.8746000000e-03  5.5814000000e-03  5.0383000000e-03  1.8421000000e-03 -4.2169000000e-03 -9.5133000000e-03  6.0570000000e-04 -3.6800000000e-05  3.7586000000e-03
-
-JOB 35
-COORDS  1.3365700000e-01 -1.0295640000e+00  1.1136750000e+00 -7.4833300000e-01 -1.3380250000e+00  9.0588400000e-01  3.7292200000e-01 -4.7084700000e-01  3.7420300000e-01 -4.6593000000e-02  1.0498990000e+00 -1.0160820000e+00  1.6590100000e-01  6.1431800000e-01 -1.8415200000e+00 -9.8733600000e-01  9.1107700000e-01 -9.0670700000e-01
-ENERGY -1.526581348642e+02
-FORCES -1.4615000000e-03  6.1228000000e-03 -7.1442000000e-03  2.3886000000e-03  1.6615000000e-03  1.4140000000e-04 -7.2820000000e-04 -8.0417000000e-03  5.0166000000e-03 -4.5658000000e-03  1.1570000000e-03 -3.8519000000e-03 -1.0575000000e-03  6.4220000000e-04  5.8153000000e-03  5.4244000000e-03 -1.5419000000e-03  2.2800000000e-05
-
-JOB 36
-COORDS  9.5971800000e-01 -6.3585300000e-01 -8.8321700000e-01  1.3758710000e+00  1.9351100000e-01 -1.1181720000e+00  4.6678200000e-01 -8.8679900000e-01 -1.6644160000e+00 -9.3935800000e-01  6.1149900000e-01  9.9837500000e-01 -1.7684170000e+00  8.9239300000e-01  6.1108600000e-01 -4.6766500000e-01  1.9299700000e-01  2.7824000000e-01
-ENERGY -1.526598283664e+02
-FORCES  3.7555000000e-03  6.5660000000e-04 -5.0028000000e-03 -4.2073000000e-03 -4.2037000000e-03  1.5270000000e-03  1.0048000000e-03  2.7115000000e-03  5.1428000000e-03  3.6885000000e-03 -4.6714000000e-03 -6.2755000000e-03  3.5035000000e-03 -1.4372000000e-03  4.2800000000e-05 -7.7449000000e-03  6.9442000000e-03  4.5657000000e-03
-
-JOB 37
-COORDS  1.9041200000e-01  1.1004610000e+00  8.6916000000e-01 -6.9976200000e-01  1.4264970000e+00  1.0015350000e+00  6.6543800000e-01  1.3742920000e+00  1.6537610000e+00 -2.1167400000e-01 -1.1453350000e+00 -9.5797700000e-01  5.2523500000e-01 -1.7360460000e+00 -8.0223000000e-01 -2.4243000000e-02 -3.7952100000e-01 -4.1517800000e-01
-ENERGY -1.526611018121e+02
-FORCES -7.4170000000e-04  1.0716000000e-03  3.6506000000e-03  4.8256000000e-03 -1.8841000000e-03 -5.4240000000e-04 -3.1074000000e-03 -2.4910000000e-04 -3.0115000000e-03  4.9812000000e-03  5.4297000000e-03  6.7150000000e-03 -2.0718000000e-03  1.5473000000e-03 -4.7600000000e-04 -3.8859000000e-03 -5.9154000000e-03 -6.3357000000e-03
-
-JOB 38
-COORDS  6.5915700000e-01 -1.2227300000e+00  4.5075000000e-01  8.9597700000e-01 -1.2087950000e+00  1.3780870000e+00 -1.7897500000e-01 -1.6843040000e+00  4.2400900000e-01 -6.4692000000e-01  1.3034870000e+00 -5.3563300000e-01  1.9319900000e-01  8.4475800000e-01 -5.3553100000e-01 -1.1740900000e+00  8.3893500000e-01  1.1437800000e-01
-ENERGY -1.526579186774e+02
-FORCES -2.3693000000e-03 -3.0476000000e-03  3.2639000000e-03 -1.9534000000e-03  4.8350000000e-04 -4.4583000000e-03  3.3501000000e-03  3.4754000000e-03  8.5900000000e-04  4.6418000000e-03 -8.4977000000e-03  4.4757000000e-03 -2.8829000000e-03  5.9809000000e-03 -2.4429000000e-03 -7.8630000000e-04  1.6055000000e-03 -1.6974000000e-03
-
-JOB 39
-COORDS -3.3361100000e-01  1.1365360000e+00  9.7812800000e-01 -1.2113820000e+00  7.5564400000e-01  1.0040360000e+00  2.1984500000e-01  4.4014400000e-01  6.2463500000e-01  3.3115900000e-01 -1.0908990000e+00 -8.9821800000e-01  1.2465260000e+00 -9.5568800000e-01 -1.1432780000e+00 -1.6018800000e-01 -9.1957500000e-01 -1.7016220000e+00
-ENERGY -1.526591567364e+02
-FORCES -8.7130000000e-04 -9.8828000000e-03 -5.2884000000e-03  1.6726000000e-03  2.5571000000e-03  3.3990000000e-04  1.5520000000e-03  6.4144000000e-03  4.7893000000e-03 -1.1620000000e-04  1.7103000000e-03 -5.9121000000e-03 -4.7595000000e-03  7.1700000000e-04  2.5417000000e-03  2.5225000000e-03 -1.5160000000e-03  3.5296000000e-03
-
-JOB 40
-COORDS -5.2220500000e-01 -7.0155800000e-01  1.1437840000e+00 -5.6369200000e-01  1.1980900000e-01  1.6335470000e+00 -3.7270200000e-01 -1.3714840000e+00  1.8109260000e+00  4.6940000000e-01  6.7357800000e-01 -1.2658880000e+00  1.2799680000e+00  1.1786240000e+00 -1.3302390000e+00  4.2987100000e-01  3.9890200000e-01 -3.4979800000e-01
-ENERGY -1.526576779550e+02
-FORCES -1.3437000000e-03 -2.3780000000e-03  4.9689000000e-03  3.0928000000e-03 -3.5374000000e-03 -4.8018000000e-03 -1.4017000000e-03  3.6424000000e-03 -2.4546000000e-03  8.0200000000e-04 -3.7028000000e-03  5.3854000000e-03 -3.0678000000e-03 -2.0990000000e-03  1.3521000000e-03  1.9184000000e-03  8.0748000000e-03 -4.4499000000e-03
-
-JOB 41
-COORDS  1.0254960000e+00  5.5595000000e-02 -1.0239120000e+00  1.4214160000e+00  8.6670100000e-01 -7.0518700000e-01  1.0813070000e+00  1.1978400000e-01 -1.9773250000e+00 -1.0664510000e+00 -1.5306300000e-01  1.1099380000e+00 -1.4521020000e+00  7.0561400000e-01  9.3621600000e-01 -3.8822000000e-01 -2.5118200000e-01  4.4165100000e-01
-ENERGY -1.526604621168e+02
-FORCES  2.0697000000e-03  2.4739000000e-03 -4.0069000000e-03 -3.3485000000e-03 -3.8372000000e-03 -1.5346000000e-03  7.0260000000e-04  8.5250000000e-04  4.4721000000e-03  4.0413000000e-03  1.8352000000e-03 -7.9617000000e-03  1.4151000000e-03 -2.2014000000e-03  9.6050000000e-04 -4.8802000000e-03  8.7710000000e-04  8.0706000000e-03
-
-JOB 42
-COORDS -6.7604700000e-01 -1.1330530000e+00 -7.9014200000e-01 -5.3435000000e-01 -2.3959000000e-01 -4.7728600000e-01 -1.7370600000e-01 -1.1851030000e+00 -1.6032690000e+00  6.7595200000e-01  1.0841210000e+00  7.6328900000e-01  9.2523100000e-01  8.2828000000e-01  1.6513420000e+00 -2.4362200000e-01  1.3396170000e+00  8.3635000000e-01
-ENERGY -1.526559796819e+02
-FORCES  7.4316000000e-03  5.6918000000e-03  3.6920000000e-04 -7.2908000000e-03 -1.2724000000e-03 -1.4546000000e-03 -2.1997000000e-03 -3.2960000000e-04  2.5140000000e-03 -5.5700000000e-04 -1.4620000000e-03  6.5543000000e-03 -1.0979000000e-03  2.4446000000e-03 -3.8198000000e-03  3.7138000000e-03 -5.0724000000e-03 -4.1631000000e-03
-
-JOB 43
-COORDS -1.5314600000e-01  1.3439590000e+00 -5.7185900000e-01 -1.3911000000e-01  2.2023370000e+00 -1.4851400000e-01  5.4333700000e-01  1.3880600000e+00 -1.2269920000e+00  1.1478200000e-01 -1.4010480000e+00  6.5682300000e-01  3.5907600000e-01 -6.2892000000e-01  1.4655700000e-01 -1.5044800000e-01 -2.0471840000e+00  2.3070000000e-03
-ENERGY -1.526582026865e+02
-FORCES  3.8620000000e-04  6.2801000000e-03  7.1710000000e-04  1.5420000000e-04 -3.4570000000e-03 -3.1047000000e-03 -2.9123000000e-03 -2.7247000000e-03  4.4458000000e-03 -2.3560000000e-03  5.8509000000e-03 -5.1305000000e-03  3.4635000000e-03 -8.3514000000e-03  1.1938000000e-03  1.2644000000e-03  2.4021000000e-03  1.8785000000e-03
-
-JOB 44
-COORDS -6.0834000000e-02 -1.4207250000e+00  6.4708100000e-01 -1.2813400000e-01 -5.9216300000e-01  1.7254100000e-01  3.9955300000e-01 -1.1972850000e+00  1.4560010000e+00  6.3510000000e-02  1.3219270000e+00 -6.1728900000e-01  1.4364800000e-01  1.1169950000e+00 -1.5488540000e+00 -4.5911000000e-01  2.1234630000e+00 -5.9198400000e-01
-ENERGY -1.526611436894e+02
-FORCES  1.6911000000e-03  9.4022000000e-03 -9.6500000000e-05  1.6500000000e-05 -9.3698000000e-03  1.0573000000e-03 -1.5519000000e-03 -1.3773000000e-03 -1.9705000000e-03 -1.9554000000e-03  4.2989000000e-03 -3.1841000000e-03 -1.2069000000e-03  3.1190000000e-04  5.2738000000e-03  3.0066000000e-03 -3.2658000000e-03 -1.0800000000e-03
-
-JOB 45
-COORDS -5.2630900000e-01  7.4073600000e-01  1.2795470000e+00 -1.0414320000e+00  1.3441930000e+00  7.4408500000e-01  2.3762000000e-02  2.7241900000e-01  6.5158900000e-01  5.1462200000e-01 -7.2661700000e-01 -1.1460060000e+00  3.5275000000e-01 -2.6531000000e-01 -1.9689430000e+00  8.7209500000e-01 -1.5737650000e+00 -1.4120590000e+00
-ENERGY -1.526600970434e+02
-FORCES  1.6441000000e-03 -3.0187000000e-03 -8.3456000000e-03  1.4601000000e-03 -1.3368000000e-03  1.6478000000e-03 -2.5540000000e-03  4.9965000000e-03  6.9506000000e-03  4.9550000000e-04 -2.4942000000e-03 -3.9464000000e-03  6.3070000000e-04 -2.2402000000e-03  3.7505000000e-03 -1.6764000000e-03  4.0933000000e-03 -5.6900000000e-05
-
-JOB 46
-COORDS  2.7768400000e-01 -5.7690000000e-01 -1.3262180000e+00 -5.3820000000e-01 -8.4229200000e-01 -1.7506390000e+00  9.2570400000e-01 -5.7688100000e-01 -2.0307050000e+00 -2.4831000000e-01  6.4872300000e-01  1.4099580000e+00  5.5483000000e-02  1.9635500000e-01  6.2299800000e-01 -8.6377600000e-01  3.7927000000e-02  1.8153730000e+00
-ENERGY -1.526608458914e+02
-FORCES -1.0840000000e-04 -1.5110000000e-04 -5.2380000000e-03  4.0618000000e-03  7.2530000000e-04  1.7363000000e-03 -3.7645000000e-03 -5.5380000000e-04  2.1586000000e-03  7.1560000000e-04 -5.2410000000e-03 -5.7510000000e-03 -2.4703000000e-03  3.2685000000e-03  8.7906000000e-03  1.5658000000e-03  1.9522000000e-03 -1.6965000000e-03
-
-JOB 47
-COORDS  4.8746000000e-02 -1.2103630000e+00  8.4794500000e-01 -3.9639800000e-01 -2.0129350000e+00  1.1198950000e+00  5.6627400000e-01 -9.5268000000e-01  1.6108320000e+00 -3.7017000000e-02  1.3031880000e+00 -8.9980200000e-01  1.7043200000e-01  6.9224900000e-01 -1.6068740000e+00 -5.1893900000e-01  7.7705100000e-01 -2.6170900000e-01
-ENERGY -1.526592759826e+02
-FORCES  2.1254000000e-03 -2.6807000000e-03  4.6860000000e-03  2.2415000000e-03  3.7742000000e-03 -1.2750000000e-03 -3.2451000000e-03 -1.6579000000e-03 -3.1482000000e-03 -4.8150000000e-04 -9.2943000000e-03  1.9164000000e-03 -6.4880000000e-04  3.2979000000e-03  7.9500000000e-04  8.5000000000e-06  6.5607000000e-03 -2.9742000000e-03
-
-JOB 48
-COORDS  1.5330460000e+00  2.3865800000e-01  2.5647600000e-01  1.9354310000e+00 -6.2801600000e-01  3.1298900000e-01  6.1364700000e-01  6.3751000000e-02  5.5616000000e-02 -1.4540890000e+00 -2.0795600000e-01 -2.8205200000e-01 -1.9753910000e+00  5.6030400000e-01 -5.1497400000e-01 -1.8133820000e+00 -4.9638800000e-01  5.5696400000e-01
-ENERGY -1.526615921286e+02
-FORCES -6.7067000000e-03 -3.9671000000e-03 -2.5731000000e-03 -1.6681000000e-03  2.6322000000e-03  2.1560000000e-04  1.0048000000e-02  1.2832000000e-03  3.2283000000e-03 -6.0217000000e-03  2.5058000000e-03  1.5841000000e-03  1.9641000000e-03 -4.0133000000e-03  1.6659000000e-03  2.3845000000e-03  1.5592000000e-03 -4.1207000000e-03
-
-JOB 49
-COORDS  8.2733900000e-01 -1.1412340000e+00 -6.0755700000e-01  6.6901700000e-01 -1.4168740000e+00  2.9532100000e-01  1.7745380000e+00 -1.0121950000e+00 -6.5649600000e-01 -9.1399900000e-01  1.2058640000e+00  5.6203400000e-01 -7.5541300000e-01  5.4999200000e-01  1.2409410000e+00 -3.5438400000e-01  9.3721100000e-01 -1.6658700000e-01
-ENERGY -1.526568260452e+02
-FORCES  4.1647000000e-03 -3.5090000000e-03  3.1291000000e-03 -8.7200000000e-05  3.3156000000e-03 -3.4519000000e-03 -4.9283000000e-03  7.3200000000e-05  4.9110000000e-04  4.4527000000e-03 -6.4985000000e-03 -3.0081000000e-03 -2.9380000000e-04  1.4263000000e-03 -1.1835000000e-03 -3.3082000000e-03  5.1923000000e-03  4.0233000000e-03
-
-JOB 50
-COORDS -2.4864800000e-01 -1.0685960000e+00  1.1450400000e+00 -9.4906300000e-01 -1.6884570000e+00  9.4151300000e-01 -2.9661700000e-01 -4.1479000000e-01  4.4756700000e-01  3.0070600000e-01  1.0907950000e+00 -1.0287660000e+00  9.6924100000e-01  9.3680200000e-01 -1.6962830000e+00 -5.2744000000e-01  9.0407200000e-01 -1.4709650000e+00
-ENERGY -1.526582213218e+02
-FORCES -1.7430000000e-04  3.5959000000e-03 -4.9342000000e-03  2.4564000000e-03  2.8908000000e-03 -3.1120000000e-04 -4.9245000000e-03 -6.9653000000e-03  4.7809000000e-03  2.6219000000e-03  8.1980000000e-04 -6.5965000000e-03 -3.8652000000e-03  1.3226000000e-03  2.4424000000e-03  3.8857000000e-03 -1.6638000000e-03  4.6186000000e-03
-
-JOB 51
-COORDS  5.4822300000e-01 -3.2853100000e-01  1.4952580000e+00  1.2088080000e+00 -1.0084980000e+00  1.3629550000e+00  3.8402800000e-01  2.0260000000e-02  6.1912000000e-01 -5.6084000000e-01  3.6884800000e-01 -1.3690700000e+00 -2.1405200000e-01  6.8189500000e-01 -2.2045170000e+00 -1.2128430000e+00 -2.8880600000e-01 -1.6111770000e+00
-ENERGY -1.526607320929e+02
-FORCES  3.5720000000e-04  3.0220000000e-04 -7.2149000000e-03 -2.2203000000e-03  2.0622000000e-03  4.4660000000e-04  3.1640000000e-03 -2.5300000000e-03  8.6425000000e-03 -2.7994000000e-03 -1.0068000000e-03 -5.4832000000e-03 -1.9241000000e-03 -1.9789000000e-03  3.4297000000e-03  3.4226000000e-03  3.1513000000e-03  1.7930000000e-04
-
-JOB 52
-COORDS -1.5630400000e-01  1.4176100000e-01 -1.6416180000e+00 -1.0282070000e+00  4.5719500000e-01 -1.4038800000e+00  2.0094300000e-01 -2.1268700000e-01 -8.2738700000e-01  2.1549400000e-01 -9.5052000000e-02  1.5432710000e+00  6.4905200000e-01 -8.7257100000e-01  1.8950150000e+00 -6.8604700000e-01 -1.5978700000e-01  1.8583360000e+00
-ENERGY -1.526586440413e+02
-FORCES -9.3770000000e-04  7.9170000000e-04  8.5082000000e-03  2.0344000000e-03 -1.1526000000e-03 -1.5470000000e-03 -9.9740000000e-04 -8.8770000000e-04 -8.0634000000e-03 -1.8989000000e-03 -2.4684000000e-03  6.0209000000e-03 -2.3059000000e-03  3.5542000000e-03 -2.6021000000e-03  4.1055000000e-03  1.6280000000e-04 -2.3166000000e-03
-
-JOB 53
-COORDS -1.2780930000e+00 -3.2326500000e-01 -8.6082000000e-01 -1.9762880000e+00 -7.2873600000e-01 -1.3749690000e+00 -1.2234230000e+00 -8.5647500000e-01 -6.7769000000e-02  1.3297070000e+00  3.9106900000e-01  9.0541800000e-01  8.9378900000e-01  9.4209000000e-01  2.5535400000e-01  1.4572020000e+00 -4.4774500000e-01  4.6228200000e-01
-ENERGY -1.526580192040e+02
-FORCES -4.1219000000e-03 -3.5358000000e-03  1.4550000000e-03  3.0308000000e-03  1.3014000000e-03  2.6552000000e-03  1.4300000000e-04  1.5108000000e-03 -4.8736000000e-03 -1.6654000000e-03 -1.6100000000e-05 -6.8994000000e-03  3.4199000000e-03 -1.3804000000e-03  4.4075000000e-03 -8.0640000000e-04  2.1200000000e-03  3.2553000000e-03
-
-JOB 54
-COORDS -8.4071100000e-01  1.3886350000e+00 -1.8854900000e-01 -4.0155800000e-01  6.2291200000e-01 -5.5874300000e-01 -1.7400110000e+00  1.3287080000e+00 -5.1088300000e-01  8.7670400000e-01 -1.3141340000e+00  1.6461100000e-01  1.4646670000e+00 -1.4276740000e+00  9.1136400000e-01  7.8249000000e-02 -1.7789010000e+00  4.1499800000e-01
-ENERGY -1.526581050586e+02
-FORCES  1.3475000000e-03 -4.4486000000e-03 -2.5567000000e-03 -6.0683000000e-03  5.5521000000e-03 -2.3840000000e-04  3.4218000000e-03 -7.0800000000e-04  1.5611000000e-03  8.2270000000e-04 -2.2718000000e-03  6.5750000000e-03 -2.5487000000e-03 -7.8100000000e-04 -3.1875000000e-03  3.0251000000e-03  2.6572000000e-03 -2.1535000000e-03
-
-JOB 55
-COORDS -4.2390700000e-01  7.5104400000e-01 -1.4460520000e+00  1.4081300000e-01  1.3333610000e+00 -9.3789000000e-01 -1.1082350000e+00  4.8448400000e-01 -8.3215300000e-01  4.4470100000e-01 -7.4042100000e-01  1.4473730000e+00 -3.6669200000e-01 -1.1465550000e+00  1.1425310000e+00  1.0347710000e+00 -7.8914200000e-01  6.9525900000e-01
-ENERGY -1.526560048149e+02
-FORCES -1.0834000000e-03  3.2102000000e-03  5.9744000000e-03 -1.4791000000e-03 -2.8743000000e-03 -3.2977000000e-03  2.4333000000e-03 -8.2550000000e-04 -2.9525000000e-03 -3.1000000000e-05 -3.6322000000e-03 -5.4413000000e-03  2.1470000000e-03  3.0525000000e-03  1.2948000000e-03 -1.9868000000e-03  1.0692000000e-03  4.4222000000e-03
-
-JOB 56
-COORDS  6.9999700000e-01 -4.2656100000e-01 -1.4643670000e+00  1.5918830000e+00 -6.7839100000e-01 -1.2248820000e+00  3.5595800000e-01 -1.1836320000e+00 -1.9384060000e+00 -7.3242900000e-01  4.0474900000e-01  1.4805830000e+00 -5.1222800000e-01  9.5700400000e-01  7.3041100000e-01 -8.6801500000e-01  1.0208080000e+00  2.2005270000e+00
-ENERGY -1.526565933388e+02
-FORCES  1.9398000000e-03 -5.7796000000e-03 -3.1580000000e-04 -3.3982000000e-03  1.3194000000e-03 -1.6006000000e-03  1.9243000000e-03  3.0861000000e-03  1.3437000000e-03  6.9410000000e-04  4.1441000000e-03 -2.3893000000e-03 -2.0012000000e-03 -2.7210000000e-04  5.9595000000e-03  8.4120000000e-04 -2.4979000000e-03 -2.9975000000e-03
-
-JOB 57
-COORDS -2.0612500000e-01 -1.5327800000e+00 -9.0160900000e-01 -7.2708200000e-01 -1.9431440000e+00 -2.1136500000e-01 -6.8867800000e-01 -7.3701700000e-01 -1.1255190000e+00  2.1804700000e-01  1.5462390000e+00  9.1051200000e-01  1.1735280000e+00  1.5757340000e+00  9.5969000000e-01  3.3372000000e-02  9.4889000000e-01  1.8573500000e-01
-ENERGY -1.526546326833e+02
-FORCES -5.6263000000e-03 -1.3285000000e-03  1.4870000000e-03  2.5137000000e-03  1.9284000000e-03 -3.5572000000e-03  4.4573000000e-03 -1.0170000000e-03  3.1268000000e-03  5.0186000000e-03 -3.6869000000e-03 -2.6487000000e-03 -3.9670000000e-03  6.8660000000e-04  2.0940000000e-04 -2.3963000000e-03  3.4174000000e-03  1.3828000000e-03
-
-JOB 58
-COORDS -8.3369500000e-01  1.5869650000e+00 -4.8087600000e-01 -8.9085700000e-01  8.5330500000e-01 -1.0930100000e+00 -1.5012800000e+00  1.4011400000e+00  1.7945000000e-01  8.6062000000e-01 -1.5861390000e+00  5.1890100000e-01  9.7232800000e-01 -1.6407080000e+00 -4.3019100000e-01  1.0030980000e+00 -6.6222100000e-01  7.2458700000e-01
-ENERGY -1.526561622043e+02
-FORCES -5.0118000000e-03 -3.3639000000e-03 -9.8300000000e-05  1.4837000000e-03  3.0336000000e-03  2.4474000000e-03  3.2246000000e-03  1.1644000000e-03 -2.7583000000e-03  2.2659000000e-03  4.3888000000e-03 -2.5813000000e-03 -1.3808000000e-03  1.8070000000e-04  3.4603000000e-03 -5.8160000000e-04 -5.4036000000e-03 -4.6990000000e-04
-
-JOB 59
-COORDS  9.5433300000e-01 -1.4180980000e+00  7.5032200000e-01  1.8004730000e+00 -1.0888780000e+00  1.0534600000e+00  4.2398600000e-01 -6.3210500000e-01  6.1925100000e-01 -9.4932700000e-01  1.4209890000e+00 -7.6917800000e-01 -1.5080890000e+00  1.0934640000e+00 -6.4377000000e-02 -7.9197900000e-01  6.5777300000e-01 -1.3250340000e+00
-ENERGY -1.526558545938e+02
-FORCES  2.4146000000e-03  5.5662000000e-03  1.0486000000e-03 -3.3828000000e-03 -1.7784000000e-03 -1.0804000000e-03  6.9940000000e-04 -5.1741000000e-03  4.0870000000e-04 -4.1644000000e-03 -2.8675000000e-03 -2.0083000000e-03  4.4617000000e-03  7.0900000000e-04 -2.5001000000e-03 -2.8500000000e-05  3.5448000000e-03  4.1314000000e-03
-
-JOB 60
-COORDS  4.5511900000e-01  1.3152350000e+00  1.2579520000e+00 -1.9249400000e-01  1.1236400000e+00  1.9362740000e+00  1.1490890000e+00  6.7145200000e-01  1.4000130000e+00 -4.8954800000e-01 -1.2122830000e+00 -1.2916740000e+00  3.9671600000e-01 -1.3466670000e+00 -1.6273960000e+00 -8.2429700000e-01 -2.0956900000e+00 -1.1375110000e+00
-ENERGY -1.526528523403e+02
-FORCES -1.1270000000e-03 -4.7895000000e-03  2.0395000000e-03  2.8348000000e-03  1.2002000000e-03 -1.9988000000e-03 -1.9172000000e-03  2.8835000000e-03 -2.1770000000e-04  2.3795000000e-03 -3.3967000000e-03 -1.3904000000e-03 -3.5332000000e-03  2.0400000000e-04  1.6881000000e-03  1.3631000000e-03  3.8985000000e-03 -1.2080000000e-04
-
-JOB 61
-COORDS  1.7809800000e-01  1.3486180000e+00 -1.2423820000e+00 -4.3259600000e-01  2.0852520000e+00 -1.2168060000e+00  1.0401540000e+00  1.7546020000e+00 -1.3333110000e+00 -1.8570200000e-01 -1.4480720000e+00  1.2952180000e+00 -1.9383000000e-02 -5.1280900000e-01  1.1775130000e+00 -5.4090100000e-01 -1.7363410000e+00  4.5440500000e-01
-ENERGY -1.526574803735e+02
-FORCES  1.4411000000e-03  5.7559000000e-03 -2.1100000000e-03  2.7587000000e-03 -3.3227000000e-03  2.0460000000e-04 -3.9455000000e-03 -1.6074000000e-03  6.4990000000e-04 -4.6950000000e-04  3.8828000000e-03 -5.6647000000e-03 -6.5150000000e-04 -4.4756000000e-03  3.0897000000e-03  8.6680000000e-04 -2.3300000000e-04  3.8304000000e-03
-
-JOB 62
-COORDS  1.2963700000e-01 -1.8252660000e+00 -5.8525100000e-01  4.6193200000e-01 -2.7228230000e+00 -5.9947400000e-01  3.6297000000e-01 -1.4693600000e+00 -1.4426410000e+00 -1.5325000000e-01  1.8065590000e+00  6.8432800000e-01 -8.5509700000e-01  1.8394160000e+00  3.4280000000e-02  3.7572400000e-01  2.5841040000e+00  5.0588700000e-01
-ENERGY -1.526528798117e+02
-FORCES  2.9175000000e-03 -1.7898000000e-03 -3.0647000000e-03 -1.3832000000e-03  3.7321000000e-03  1.0630000000e-04 -1.4213000000e-03 -1.5618000000e-03  3.0915000000e-03 -1.1629000000e-03  2.5189000000e-03 -3.1469000000e-03  3.0530000000e-03  4.7270000000e-04  2.3737000000e-03 -2.0030000000e-03 -3.3722000000e-03  6.4020000000e-04
-
-JOB 63
-COORDS -1.0757590000e+00 -1.6437650000e+00 -1.6499300000e-01 -1.7637100000e+00 -2.1491450000e+00 -5.9806000000e-01 -1.4415060000e+00 -1.4260250000e+00  6.9235800000e-01  1.0845360000e+00  1.6557400000e+00  1.9167100000e-01  1.1054830000e+00  1.3115170000e+00 -7.0124800000e-01  1.9247460000e+00  2.1021470000e+00  2.9655300000e-01
-ENERGY -1.526550633750e+02
-FORCES -4.2949000000e-03 -7.1650000000e-04  2.7144000000e-03  2.9088000000e-03  2.1197000000e-03  1.6135000000e-03  9.1780000000e-04 -1.7590000000e-03 -3.7320000000e-03  3.1775000000e-03 -6.6160000000e-04 -3.7418000000e-03  6.6910000000e-04  2.7723000000e-03  3.5014000000e-03 -3.3782000000e-03 -1.7548000000e-03 -3.5560000000e-04
-
-JOB 64
-COORDS  1.1666910000e+00  1.6636630000e+00 -4.7376000000e-02  1.3840420000e+00  2.3206750000e+00 -7.0868200000e-01  1.1841820000e+00  2.1423690000e+00  7.8133700000e-01 -1.1612510000e+00 -1.7596370000e+00 -1.7617000000e-02 -1.1422760000e+00 -8.0783400000e-01  8.2100000000e-02 -1.4923170000e+00 -2.0822000000e+00  8.2058300000e-01
-ENERGY -1.526553284576e+02
-FORCES  2.3001000000e-03  5.0992000000e-03  1.0730000000e-04 -9.4010000000e-04 -2.5944000000e-03  3.0166000000e-03 -5.7370000000e-04 -2.2090000000e-03 -3.4254000000e-03 -8.2200000000e-05  3.5358000000e-03  3.4180000000e-03 -1.9156000000e-03 -5.0528000000e-03  6.3100000000e-05  1.2116000000e-03  1.2213000000e-03 -3.1796000000e-03
-
-JOB 65
-COORDS -1.5939000000e-01 -1.7326830000e+00 -1.2711420000e+00  6.7825900000e-01 -1.3943920000e+00 -1.5875810000e+00 -7.7418000000e-02 -1.7226750000e+00 -3.1751100000e-01  1.3402500000e-01  1.7205570000e+00  1.1736890000e+00  2.5355000000e-01  2.3042430000e+00  1.9228600000e+00 -4.0091500000e-01  1.0024440000e+00  1.5118970000e+00
-ENERGY -1.526542414485e+02
-FORCES  4.3774000000e-03  2.3284000000e-03  2.2528000000e-03 -3.4133000000e-03 -2.1691000000e-03  9.9990000000e-04 -1.0461000000e-03 -2.0040000000e-04 -3.2559000000e-03 -2.4001000000e-03  3.7560000000e-04  4.5434000000e-03 -4.8090000000e-04 -2.5188000000e-03 -3.1724000000e-03  2.9630000000e-03  2.1842000000e-03 -1.3677000000e-03
-
-JOB 66
-COORDS -2.5133400000e-01 -6.5036900000e-01 -2.0389890000e+00  2.2040800000e-01 -1.7120800000e-01 -2.7202360000e+00 -6.2557300000e-01  3.1621000000e-02 -1.4812550000e+00  2.6951300000e-01  6.3279400000e-01  2.0126790000e+00  4.4455600000e-01 -2.9428800000e-01  1.8510870000e+00 -3.2230700000e-01  6.3770800000e-01  2.7649800000e+00
-ENERGY -1.526559771690e+02
-FORCES  4.9550000000e-04  5.4025000000e-03 -3.5940000000e-04 -1.9486000000e-03 -2.0303000000e-03  2.5188000000e-03  1.2406000000e-03 -3.5380000000e-03 -3.0308000000e-03 -1.0527000000e-03 -4.1571000000e-03  3.1416000000e-03 -1.0957000000e-03  4.3270000000e-03  9.3070000000e-04  2.3608000000e-03 -4.0000000000e-06 -3.2009000000e-03
-
-JOB 67
-COORDS  4.1398500000e-01  1.1212830000e+00 -1.8444240000e+00 -3.5748000000e-02  1.8933530000e+00 -2.1877580000e+00  1.2614520000e+00  1.4505340000e+00 -1.5450470000e+00 -3.7998900000e-01 -1.1686150000e+00  1.8108760000e+00 -7.0041400000e-01 -7.2914900000e-01  2.5985500000e+00 -1.0498130000e+00 -1.8227590000e+00  1.6117210000e+00
-ENERGY -1.526533632878e+02
-FORCES  1.8852000000e-03  4.1262000000e-03  7.1700000000e-04  1.6693000000e-03 -3.1681000000e-03  1.3439000000e-03 -3.3538000000e-03 -9.6430000000e-04 -1.7491000000e-03 -4.3693000000e-03 -7.3720000000e-04  1.4924000000e-03  1.4549000000e-03 -1.7058000000e-03 -3.0778000000e-03  2.7137000000e-03  2.4493000000e-03  1.2736000000e-03
-
-JOB 68
-COORDS  1.0205730000e+00  1.7697640000e+00  8.8116700000e-01  1.0012390000e+00  1.9713560000e+00  1.8166980000e+00  1.9100130000e+00  1.4538160000e+00  7.2208600000e-01 -1.0493700000e+00 -1.6956230000e+00 -9.2295000000e-01 -1.1339890000e+00 -2.2330980000e+00 -1.3542700000e-01 -1.2316500000e+00 -2.2972210000e+00 -1.6448130000e+00
-ENERGY -1.526530715951e+02
-FORCES  3.4286000000e-03 -9.1270000000e-04  2.6118000000e-03 -2.2200000000e-05 -8.8650000000e-04 -3.7546000000e-03 -3.4195000000e-03  1.5715000000e-03  9.1790000000e-04 -1.2194000000e-03 -4.2645000000e-03  5.8760000000e-04  3.6980000000e-04  1.9307000000e-03 -3.2913000000e-03  8.6270000000e-04  2.5617000000e-03  2.9287000000e-03
-
-JOB 69
-COORDS  7.0458400000e-01 -2.1162700000e+00 -3.5619200000e-01  6.2873700000e-01 -2.9778910000e+00  5.3793000000e-02  1.6009430000e+00 -2.0877830000e+00 -6.9080000000e-01 -7.7634000000e-01  2.2168510000e+00  3.7813000000e-01 -2.7967100000e-01  2.1412150000e+00 -4.3662900000e-01 -7.9266600000e-01  1.3278720000e+00  7.3264600000e-01
-ENERGY -1.526557195544e+02
-FORCES  3.4988000000e-03 -4.2876000000e-03  1.7320000000e-04  4.2680000000e-04  3.6128000000e-03 -1.7092000000e-03 -3.7936000000e-03  8.5200000000e-05  1.3915000000e-03  1.9781000000e-03 -4.9708000000e-03 -2.0823000000e-03 -1.8026000000e-03  1.0198000000e-03  3.0807000000e-03 -3.0770000000e-04  4.5405000000e-03 -8.5400000000e-04
-
-JOB 70
-COORDS -1.1765000000e-01  1.7999530000e+00 -1.4904430000e+00  5.4708900000e-01  1.7327650000e+00 -2.1758910000e+00 -9.0047300000e-01  2.1111010000e+00 -1.9449820000e+00  1.2038100000e-01 -1.7645160000e+00  1.5039240000e+00  7.7740200000e-01 -2.4597110000e+00  1.5394160000e+00 -4.4679900000e-01 -1.9316900000e+00  2.2566470000e+00
-ENERGY -1.526529095047e+02
-FORCES -4.5560000000e-04  3.2410000000e-04 -4.4275000000e-03 -2.6533000000e-03  4.8500000000e-04  2.6911000000e-03  3.1587000000e-03 -1.1164000000e-03  1.8861000000e-03  3.1040000000e-04 -3.0853000000e-03  3.1806000000e-03 -2.6501000000e-03  2.8204000000e-03 -2.4670000000e-04  2.2899000000e-03  5.7220000000e-04 -3.0836000000e-03
-
-JOB 71
-COORDS -2.1319400000e+00  6.0342000000e-01  1.2276450000e+00 -1.4809640000e+00  3.5125200000e-01  1.8825290000e+00 -2.4085580000e+00 -2.2376100000e-01  8.3332700000e-01  2.1085000000e+00 -4.9130000000e-01 -1.2989540000e+00  2.4417350000e+00 -1.3886190000e+00 -1.2965830000e+00  1.7900980000e+00 -3.5118500000e-01 -4.0720300000e-01
-ENERGY -1.526536119700e+02
-FORCES  8.4470000000e-04 -4.2581000000e-03  9.4700000000e-04 -2.1749000000e-03  9.2890000000e-04 -2.9751000000e-03  1.3583000000e-03  3.3732000000e-03  1.8667000000e-03  1.2000000000e-04 -2.6735000000e-03  3.5098000000e-03 -1.5397000000e-03  3.6596000000e-03  7.7700000000e-05  1.3917000000e-03 -1.0301000000e-03 -3.4261000000e-03
-
-JOB 72
-COORDS -1.8872810000e+00  7.3653800000e-01 -1.4838140000e+00 -2.7181200000e+00  1.0085610000e+00 -1.0940170000e+00 -1.3719880000e+00  1.5414760000e+00 -1.5365400000e+00  1.8969750000e+00 -8.1664000000e-01  1.4068170000e+00  2.0442750000e+00 -1.2713480000e+00  2.2361400000e+00  1.8291560000e+00  1.0710000000e-01  1.6483460000e+00
-ENERGY -1.526533129169e+02
-FORCES -1.0354000000e-03  4.1024000000e-03  1.3564000000e-03  3.3978000000e-03 -1.0741000000e-03 -1.5561000000e-03 -2.1822000000e-03 -3.1099000000e-03  3.1840000000e-04 -9.0100000000e-05  1.7807000000e-03  4.2029000000e-03 -5.4570000000e-04  1.8721000000e-03 -3.3702000000e-03  4.5550000000e-04 -3.5712000000e-03 -9.5150000000e-04
-
-JOB 73
-COORDS -6.3209900000e-01 -2.2440590000e+00 -1.2148730000e+00 -4.2136200000e-01 -3.0218160000e+00 -6.9823300000e-01 -1.1672000000e-02 -1.5803860000e+00 -9.1347700000e-01  5.4259600000e-01  2.2034600000e+00  1.1541190000e+00  1.1856080000e+00  2.2023120000e+00  1.8631790000e+00  6.6603800000e-01  3.0473550000e+00  7.1956800000e-01
-ENERGY -1.526547601797e+02
-FORCES  3.2408000000e-03  2.8130000000e-04  3.6959000000e-03 -8.0490000000e-04  2.9383000000e-03 -2.1208000000e-03 -2.3051000000e-03 -3.5289000000e-03 -1.6783000000e-03  2.8048000000e-03  4.0767000000e-03  1.2770000000e-03 -2.5722000000e-03 -2.2560000000e-04 -3.0314000000e-03 -3.6330000000e-04 -3.5419000000e-03  1.8577000000e-03
-
-JOB 74
-COORDS  1.1613480000e+00 -1.7838950000e+00  1.7510360000e+00  1.9181720000e+00 -2.2172980000e+00  1.3565610000e+00  4.0536300000e-01 -2.1773440000e+00  1.3152420000e+00 -1.1649300000e+00  1.8529140000e+00 -1.7638640000e+00 -1.8826300000e+00  1.6614290000e+00 -1.1601490000e+00 -3.7214900000e-01  1.6640680000e+00 -1.2618020000e+00
-ENERGY -1.526546565114e+02
-FORCES  2.8760000000e-04 -3.9983000000e-03 -3.0808000000e-03 -3.1868000000e-03  1.9066000000e-03  1.5799000000e-03  3.0140000000e-03  2.0246000000e-03  1.7054000000e-03  4.8630000000e-04 -1.2567000000e-03  4.8241000000e-03  2.7764000000e-03  6.1040000000e-04 -2.6032000000e-03 -3.3776000000e-03  7.1330000000e-04 -2.4254000000e-03
-
-JOB 75
-COORDS  2.7168500000e-01 -2.6223610000e+00  1.4120400000e+00  3.2119500000e-01 -2.2996730000e+00  2.3118470000e+00  2.9889400000e-01 -1.8325210000e+00  8.7199800000e-01 -2.6651700000e-01  2.4951530000e+00 -1.4440760000e+00 -7.5693600000e-01  2.9079320000e+00 -7.3320700000e-01  7.3753000000e-02  3.2276350000e+00 -1.9578060000e+00
-ENERGY -1.526545939975e+02
-FORCES  3.6650000000e-04  4.7239000000e-03  1.0547000000e-03 -2.4120000000e-04 -1.3297000000e-03 -3.5061000000e-03 -1.3470000000e-04 -3.5097000000e-03  2.6241000000e-03 -6.9520000000e-04  4.9866000000e-03  3.5370000000e-04  2.1311000000e-03 -1.9015000000e-03 -2.7266000000e-03 -1.4265000000e-03 -2.9697000000e-03  2.2000000000e-03
-
-JOB 76
-COORDS -9.4680800000e-01 -2.4342660000e+00 -1.3421500000e+00 -1.7114870000e+00 -2.6349900000e+00 -8.0251200000e-01 -1.3094340000e+00 -2.0368980000e+00 -2.1338780000e+00  1.0229760000e+00  2.3951400000e+00  1.4147380000e+00  2.3923100000e-01  2.7373470000e+00  9.8477200000e-01  1.7276990000e+00  2.5465230000e+00  7.8491300000e-01
-ENERGY -1.526538574902e+02
-FORCES -4.5767000000e-03  7.0790000000e-04 -7.3940000000e-04  3.0523000000e-03  8.0180000000e-04 -2.3616000000e-03  1.5280000000e-03 -1.4910000000e-03  3.1921000000e-03 -2.2740000000e-04  1.5682000000e-03 -4.5130000000e-03  3.0825000000e-03 -1.2272000000e-03  1.8024000000e-03 -2.8588000000e-03 -3.5970000000e-04  2.6196000000e-03
-
-JOB 77
-COORDS  1.0186720000e+00  1.3503410000e+00 -2.6026480000e+00  1.2519780000e+00  2.1719900000e+00 -3.0347290000e+00  9.9138600000e-01  7.0637000000e-01 -3.3103120000e+00 -1.0403170000e+00 -1.3316910000e+00  2.7309360000e+00 -7.4288200000e-01 -2.2235770000e+00  2.5512030000e+00 -1.1574390000e+00 -9.3887500000e-01  1.8659450000e+00
-ENERGY -1.526544498716e+02
-FORCES  1.0365000000e-03  1.0187000000e-03 -4.7489000000e-03 -9.7590000000e-04 -3.4234000000e-03  1.7035000000e-03  1.8600000000e-05  2.5164000000e-03  3.0021000000e-03  9.7530000000e-04 -1.7105000000e-03 -4.5013000000e-03 -1.2686000000e-03  3.4708000000e-03  8.0730000000e-04  2.1420000000e-04 -1.8719000000e-03  3.7372000000e-03
-
-JOB 78
-COORDS -7.9688400000e-01 -3.3849200000e+00 -1.0209200000e-01 -1.6950210000e+00 -3.0542680000e+00 -8.6205000000e-02 -4.9015300000e-01 -3.2898170000e+00  7.9963100000e-01  8.0526600000e-01  3.3361520000e+00 -7.2800000000e-03  8.6290400000e-01  4.2479080000e+00  2.7839700000e-01  1.2410400000e+00  2.8396240000e+00  6.8539100000e-01
-ENERGY -1.526539710066e+02
-FORCES -2.4843000000e-03  1.9086000000e-03  3.5853000000e-03  3.6562000000e-03 -1.4815000000e-03  2.5200000000e-05 -1.1812000000e-03 -4.0280000000e-04 -3.6068000000e-03  2.1633000000e-03  1.6829000000e-03  3.8559000000e-03 -2.7680000000e-04 -3.7429000000e-03 -1.1402000000e-03 -1.8772000000e-03  2.0357000000e-03 -2.7193000000e-03
-
-JOB 79
-COORDS -2.6323700000e-01  3.3212250000e+00  1.4666730000e+00 -6.6001500000e-01  2.7482150000e+00  8.1058000000e-01 -5.0456100000e-01  4.2053900000e+00  1.1905430000e+00  3.1238600000e-01 -3.3100810000e+00 -1.4710380000e+00  8.8851700000e-01 -3.9117020000e+00 -9.9949100000e-01 -4.8079300000e-01 -3.2690860000e+00 -9.3679100000e-01
-ENERGY -1.526541935155e+02
-FORCES -2.4725000000e-03  1.2620000000e-03 -3.9581000000e-03  1.4932000000e-03  2.3432000000e-03  2.8070000000e-03  9.5070000000e-04 -3.5862000000e-03  1.1678000000e-03 -7.4600000000e-04 -2.3914000000e-03  4.1807000000e-03 -2.3961000000e-03  2.4277000000e-03 -1.9617000000e-03  3.1707000000e-03 -5.5300000000e-05 -2.2357000000e-03
-
-JOB 80
-COORDS  1.0574140000e+00  3.6717810000e+00  2.5925000000e-01  9.1594400000e-01  4.5243190000e+00  6.7082900000e-01  1.9366940000e+00  3.4144030000e+00  5.3647600000e-01 -1.0765000000e+00 -3.7580360000e+00 -2.5606200000e-01 -1.7254160000e+00 -3.0820000000e+00 -6.0834000000e-02 -8.0936900000e-01 -3.5809510000e+00 -1.1580120000e+00
-ENERGY -1.526543113756e+02
-FORCES  3.0789000000e-03  2.4579000000e-03  2.8697000000e-03  5.5730000000e-04 -3.4806000000e-03 -1.6905000000e-03 -3.6084000000e-03  1.0642000000e-03 -1.1663000000e-03 -1.5350000000e-03  3.6838000000e-03 -2.8839000000e-03  2.5812000000e-03 -2.8860000000e-03 -7.7280000000e-04 -1.0740000000e-03 -8.3940000000e-04  3.6438000000e-03
-
-JOB 81
-COORDS  2.2695400000e+00 -3.8048100000e-01  3.5095380000e+00  1.3780120000e+00 -3.8143200000e-01  3.8579760000e+00  2.6852620000e+00 -1.1430670000e+00  3.9118670000e+00 -2.2769020000e+00  4.8153900000e-01 -3.5689820000e+00 -1.4624050000e+00  1.0028700000e-01 -3.8968150000e+00 -2.5804500000e+00 -1.3632100000e-01 -2.9038960000e+00
-ENERGY -1.526540872743e+02
-FORCES -1.8969000000e-03 -3.0140000000e-03  3.1761000000e-03  3.6232000000e-03 -5.8400000000e-05 -1.4822000000e-03 -1.7209000000e-03  3.0868000000e-03 -1.6927000000e-03  2.2255000000e-03 -4.0222000000e-03  1.4379000000e-03 -3.3865000000e-03  1.5176000000e-03  1.2767000000e-03  1.1556000000e-03  2.4901000000e-03 -2.7158000000e-03
-
-JOB 82
-COORDS -4.0189500000e-01  2.6735050000e+00  3.8555670000e+00  2.8686400000e-01  3.1770840000e+00  4.2894450000e+00 -9.2672900000e-01  3.3299130000e+00  3.3974080000e+00  3.7766100000e-01 -2.8099600000e+00 -3.8664770000e+00  1.2474900000e+00 -2.4267280000e+00 -3.7535020000e+00 -2.2398200000e-01 -2.0713630000e+00 -3.7730360000e+00
-ENERGY -1.526540819051e+02
-FORCES  6.3650000000e-04  4.7388000000e-03  1.9000000000e-05 -2.8026000000e-03 -2.0556000000e-03 -1.8150000000e-03  2.1646000000e-03 -2.6966000000e-03  1.8063000000e-03  1.0823000000e-03  4.5734000000e-03  9.8320000000e-04 -3.5288000000e-03 -1.5604000000e-03 -5.3030000000e-04  2.4479000000e-03 -2.9996000000e-03 -4.6330000000e-04
-
-JOB 83
-COORDS  9.9874000000e-01  4.6291350000e+00 -2.7070010000e+00  4.1086200000e-01  4.2236160000e+00 -2.0696740000e+00  9.2770000000e-01  5.5681590000e+00 -2.5354820000e+00 -1.0129050000e+00 -4.6876450000e+00  2.6825840000e+00 -2.3954100000e-01 -4.4474420000e+00  3.1929190000e+00 -8.2142400000e-01 -4.3789550000e+00  1.7969900000e+00
-ENERGY -1.526541003049e+02
-FORCES -2.7149000000e-03  2.2416000000e-03  3.2671000000e-03  2.4250000000e-03  1.6048000000e-03 -2.5849000000e-03  2.9740000000e-04 -3.8469000000e-03 -6.8860000000e-04  3.9681000000e-03  2.1822000000e-03 -1.5523000000e-03 -3.1721000000e-03 -9.5460000000e-04 -2.0713000000e-03 -8.0340000000e-04 -1.2271000000e-03  3.6300000000e-03
-
-JOB 84
-COORDS  9.3851700000e-01 -4.9749530000e+00  3.6962960000e+00  1.4565370000e+00 -4.9545070000e+00  2.8916410000e+00  5.8174800000e-01 -4.0901820000e+00  3.7745810000e+00 -9.5037700000e-01  4.9008850000e+00 -3.7148970000e+00 -6.3688600000e-01  4.4562940000e+00 -2.9273100000e+00 -1.2210820000e+00  5.7668900000e+00 -3.4099590000e+00
-ENERGY -1.526540367929e+02
-FORCES  6.5520000000e-04  3.6570000000e-03 -2.9768000000e-03 -2.1146000000e-03 -6.1700000000e-05  3.2939000000e-03  1.4588000000e-03 -3.5882000000e-03 -3.1660000000e-04  1.5830000000e-04  1.7688000000e-03  4.4298000000e-03 -1.2700000000e-03  1.7767000000e-03 -3.1987000000e-03  1.1122000000e-03 -3.5527000000e-03 -1.2315000000e-03
-
-JOB 85
-COORDS  4.0315700000e-01  5.2508710000e+00  3.3095480000e+00  1.2450620000e+00  5.4265460000e+00  2.8893520000e+00  1.7109700000e-01  6.0757350000e+00  3.7361380000e+00 -4.0160700000e-01 -5.3127320000e+00 -3.3645510000e+00 -2.1508300000e-01 -5.6235050000e+00 -2.4786280000e+00 -1.2670180000e+00 -4.9088460000e+00 -3.2999620000e+00
-ENERGY -1.526541257385e+02
-FORCES  2.5021000000e-03  4.0969000000e-03  1.7100000000e-05 -3.4398000000e-03 -7.2140000000e-04  1.7208000000e-03  9.4020000000e-04 -3.3692000000e-03 -1.7362000000e-03 -2.7730000000e-03  4.2090000000e-04  3.9073000000e-03 -7.5380000000e-04  1.2414000000e-03 -3.6247000000e-03  3.5243000000e-03 -1.6686000000e-03 -2.8420000000e-04
-
-JOB 86
-COORDS  4.5152590000e+00  2.6700390000e+00  3.5201280000e+00  3.8512780000e+00  1.9856000000e+00  3.6032220000e+00  5.2615400000e+00  2.2320140000e+00  3.1109460000e+00 -4.4969090000e+00 -2.5708350000e+00 -3.5477300000e+00 -4.3268920000e+00 -2.5072430000e+00 -2.6079000000e+00 -5.0973950000e+00 -3.3113110000e+00 -3.6334210000e+00
-ENERGY -1.526540553421e+02
-FORCES  3.4640000000e-04 -4.5647000000e-03 -1.3613000000e-03  2.6978000000e-03  2.7830000000e-03 -3.2310000000e-04 -3.0475000000e-03  1.7796000000e-03  1.6850000000e-03 -1.7960000000e-03 -2.7467000000e-03  3.4673000000e-03 -6.6530000000e-04 -2.6800000000e-04 -3.8254000000e-03  2.4646000000e-03  3.0168000000e-03  3.5760000000e-04
-
-JOB 87
-COORDS -8.4783810000e+00 -6.2145800000e-01  3.7184950000e+00 -8.0705480000e+00  1.4915700000e-01  3.3234550000e+00 -8.9232840000e+00 -1.0568480000e+00  2.9913580000e+00  8.5027790000e+00  6.6240300000e-01 -3.6385900000e+00  8.8754380000e+00 -1.9805800000e-01 -3.4463280000e+00  7.7360110000e+00  4.7621300000e-01 -4.1804670000e+00
-ENERGY -1.526540708647e+02
-FORCES -1.5500000000e-04  1.3767000000e-03 -4.5712000000e-03 -1.6628000000e-03 -3.1491000000e-03  1.6074000000e-03  1.8181000000e-03  1.7721000000e-03  2.9637000000e-03 -1.5983000000e-03 -4.2733000000e-03 -1.4213000000e-03 -1.5241000000e-03  3.5112000000e-03 -7.8770000000e-04  3.1222000000e-03  7.6250000000e-04  2.2091000000e-03
-
-JOB 88
-COORDS -8.3291160000e+00 -4.8734070000e+00  8.8282800000e-01 -8.4087840000e+00 -3.9686400000e+00  5.8069800000e-01 -7.5993220000e+00 -4.8562900000e+00  1.5019720000e+00  8.3135760000e+00  4.8840850000e+00 -8.8839300000e-01  8.5242060000e+00  4.3087690000e+00 -1.6238390000e+00  7.6864440000e+00  4.3849140000e+00 -3.6516800000e-01
-ENERGY -1.526540634529e+02
-FORCES  2.6371000000e-03  3.7608000000e-03  1.2988000000e-03  3.3360000000e-04 -3.6920000000e-03  1.2308000000e-03 -2.9696000000e-03 -6.9100000000e-05 -2.5301000000e-03 -1.6848000000e-03 -4.3820000000e-03 -8.6980000000e-04 -8.6650000000e-04  2.3461000000e-03  3.0032000000e-03  2.5502000000e-03  2.0362000000e-03 -2.1330000000e-03
-
-JOB 89
-COORDS  8.3036500000e+00 -9.3703400000e-01 -5.7098490000e+00  8.5310970000e+00 -1.6392000000e-02 -5.5797820000e+00  7.4155760000e+00 -9.1677300000e-01 -6.0664250000e+00 -8.2886950000e+00  9.0266800000e-01  5.7891920000e+00 -8.6313950000e+00  1.2547650000e+00  4.9677200000e+00 -7.5863420000e+00  3.0987400000e-01  5.5217440000e+00
-ENERGY -1.526540666416e+02
-FORCES -2.6826000000e-03  3.8400000000e-03 -9.2970000000e-04 -9.3450000000e-04 -3.7568000000e-03 -5.2880000000e-04  3.6167000000e-03 -8.3700000000e-05  1.4590000000e-03  1.4639000000e-03 -9.8840000000e-04 -4.4362000000e-03  1.4008000000e-03 -1.4337000000e-03  3.3486000000e-03 -2.8643000000e-03  2.4225000000e-03  1.0870000000e-03
-
-JOB 0
-COORDS -1.0348780000e+00  4.7781700000e-01 -3.9974700000e-01 -1.2348550000e+00  9.9927900000e-01 -1.1771260000e+00 -1.8282350000e+00  5.2793000000e-01  1.3345600000e-01  1.1094160000e+00 -5.8694700000e-01  4.2664600000e-01  2.8376100000e-01 -1.6330300000e-01  1.9201700000e-01  1.7365800000e+00  1.3263900000e-01  4.9800500000e-01
-ENERGY -1.526559671557e+02
-FORCES  1.5222000000e-02 -6.4919000000e-03  3.8073000000e-03 -1.3883000000e-03 -1.7555000000e-03  5.0697000000e-03  4.0782000000e-03  5.6400000000e-04 -3.9359000000e-03 -1.8316300000e-02  1.1143600000e-02 -7.7391000000e-03  2.9722000000e-03 -2.5828000000e-03  3.9233000000e-03 -2.5679000000e-03 -8.7740000000e-04 -1.1252000000e-03
-
-JOB 1
-COORDS -5.9849000000e-02  1.1031160000e+00  5.9428700000e-01 -8.0606100000e-01  1.0961830000e+00  1.1937460000e+00 -1.6819400000e-01  1.9066290000e+00  8.5505000000e-02  8.0739000000e-02 -1.1893610000e+00 -6.3835600000e-01  8.3654400000e-01 -1.3858320000e+00 -8.4831000000e-02 -1.1499300000e-01 -2.6959000000e-01 -4.5963300000e-01
-ENERGY -1.526573200043e+02
-FORCES -1.6798000000e-03 -7.3624000000e-03 -1.7930000000e-03  4.0723000000e-03  5.8920000000e-04 -4.1497000000e-03 -4.9080000000e-04 -6.4019000000e-03  1.5910000000e-03  2.1053000000e-03  1.8432600000e-02  1.1770900000e-02 -1.6105000000e-03 -1.1429000000e-03 -1.3380000000e-03 -2.3966000000e-03 -4.1145000000e-03 -6.0812000000e-03
-
-JOB 2
-COORDS  9.0618000000e-01  8.6929100000e-01  1.5142900000e-01  8.5655000000e-01  7.2828500000e-01  1.0968850000e+00  1.8282870000e+00  1.0658770000e+00 -1.3815000000e-02 -9.4080000000e-01 -9.3645300000e-01 -1.8133100000e-01 -4.4204900000e-01 -1.2529000000e-01 -8.3894000000e-02 -1.7855760000e+00 -6.5777200000e-01 -5.3477400000e-01
-ENERGY -1.526565995571e+02
-FORCES -2.8976000000e-03 -8.9012000000e-03 -2.9185000000e-03 -1.8690000000e-03 -2.9550000000e-04 -6.8617000000e-03 -3.7055000000e-03 -1.5800000000e-04  3.2841000000e-03  1.0630000000e-02  1.0771600000e-02 -1.7449000000e-03 -5.9114000000e-03 -2.4532000000e-03  7.2310000000e-03  3.7535000000e-03  1.0362000000e-03  1.0099000000e-03
-
-JOB 3
-COORDS  2.1659100000e-01  7.9717600000e-01  1.0862690000e+00  2.2254800000e-01  2.3273900000e-01  3.1321900000e-01  8.8507500000e-01  4.2417000000e-01  1.6609230000e+00 -2.3031700000e-01 -6.7900300000e-01 -1.0566150000e+00 -1.1455210000e+00 -9.5287900000e-01 -1.1168260000e+00  2.7005400000e-01 -1.4612810000e+00 -1.2887830000e+00
-ENERGY -1.526591139336e+02
-FORCES -1.6688000000e-03 -1.0237500000e-02 -1.3495500000e-02  2.6872000000e-03  4.8426000000e-03  8.0713000000e-03 -1.6997000000e-03 -5.2980000000e-04 -3.2257000000e-03 -1.7385000000e-03  2.3133000000e-03  7.2915000000e-03  5.4467000000e-03 -1.1030000000e-04 -8.1720000000e-04 -3.0268000000e-03  3.7217000000e-03  2.1756000000e-03
-
-JOB 4
-COORDS  4.5845300000e-01  3.6510000000e-02 -1.1928180000e+00  1.1058010000e+00  7.4025900000e-01 -1.1491160000e+00  6.5241400000e-01 -4.1739600000e-01 -2.0129280000e+00 -5.7973700000e-01 -6.6160000000e-02  1.2331920000e+00 -9.4872000000e-02  1.7617400000e-01  2.0221230000e+00  8.0745000000e-02 -8.0578000000e-02  5.4052500000e-01
-ENERGY -1.526563283066e+02
-FORCES -2.1189000000e-03 -1.3518000000e-03  2.4103000000e-03 -3.2118000000e-03 -5.2293000000e-03  2.5614000000e-03 -4.2910000000e-04  3.9760000000e-03  3.1800000000e-03  4.7520000000e-03 -1.4719000000e-03 -1.1533400000e-02  2.2240000000e-04 -6.6000000000e-05 -4.8221000000e-03  7.8540000000e-04  4.1430000000e-03  8.2038000000e-03
-
-JOB 5
-COORDS -6.8702100000e-01 -1.1740340000e+00 -1.7608600000e-01 -5.6663300000e-01 -2.5153400000e-01  4.9151000000e-02 -9.9571800000e-01 -1.5804790000e+00  6.3369200000e-01  6.6072800000e-01  1.1026040000e+00  1.5232600000e-01  1.5987700000e+00  1.0396060000e+00 -2.7508000000e-02  3.7201400000e-01  1.8681660000e+00 -3.4445500000e-01
-ENERGY -1.526581836004e+02
-FORCES  6.9892000000e-03  1.1825000000e-02  3.7122000000e-03 -7.7518000000e-03 -4.9113000000e-03 -1.1290000000e-03  1.8569000000e-03  2.5111000000e-03 -1.9421000000e-03  2.2225000000e-03 -7.4442000000e-03 -3.5392000000e-03 -3.9042000000e-03  3.0971000000e-03  8.5490000000e-04  5.8740000000e-04 -5.0776000000e-03  2.0431000000e-03
-
-JOB 6
-COORDS  5.8819400000e-01 -6.1560000000e-01  9.7090100000e-01  3.3151300000e-01 -1.4312070000e+00  1.4011700000e+00  8.5584000000e-01 -4.0161000000e-02  1.6874670000e+00 -5.5935600000e-01  6.8482100000e-01 -1.0521390000e+00 -1.4052330000e+00  3.9726300000e-01 -1.3956990000e+00 -2.6277300000e-01 -4.2444000000e-02 -5.0500400000e-01
-ENERGY -1.526588778053e+02
-FORCES -2.5696000000e-03  6.6035000000e-03 -9.3610000000e-04  3.0850000000e-04  4.5162000000e-03 -2.2913000000e-03 -7.4520000000e-04 -4.9346000000e-03 -1.7366000000e-03  4.9623000000e-03 -7.4733000000e-03  1.0297800000e-02  2.9587000000e-03 -8.3480000000e-04  2.6560000000e-03 -4.9147000000e-03  2.1230000000e-03 -7.9899000000e-03
-
-JOB 7
-COORDS  7.2040900000e-01  1.0506020000e+00  3.2604800000e-01  7.5763300000e-01  5.8817900000e-01  1.1633120000e+00  1.1960200000e+00  1.8666530000e+00  4.8124500000e-01 -7.5628400000e-01 -1.1402540000e+00 -3.7532100000e-01 -1.2703740000e+00 -6.2019000000e-01 -9.9295900000e-01 -1.6681800000e-01 -5.0907000000e-01  3.7435000000e-02
-ENERGY -1.526537722531e+02
-FORCES -4.2720000000e-04 -1.7053000000e-03  8.0650000000e-04 -3.2990000000e-03 -1.7869000000e-03 -8.8553000000e-03 -2.4927000000e-03 -3.9972000000e-03  1.8000000000e-04  4.1776000000e-03  1.2805700000e-02 -2.6401000000e-03  1.0400000000e-04 -2.9960000000e-03  1.0022000000e-03  1.9373000000e-03 -2.3204000000e-03  9.5067000000e-03
-
-JOB 8
-COORDS  9.6029800000e-01  9.8945500000e-01 -3.3203000000e-01  6.0749000000e-01  9.9669000000e-02 -3.2581900000e-01  1.0239630000e+00  1.2288350000e+00  5.9256500000e-01 -9.3150000000e-01 -8.8791700000e-01  3.0312100000e-01 -1.3165980000e+00 -1.1947000000e+00 -5.1774100000e-01 -7.6813800000e-01 -1.6865720000e+00  8.0481200000e-01
-ENERGY -1.526575393737e+02
-FORCES -1.0668300000e-02 -9.1433000000e-03  7.7150000000e-03  6.0482000000e-03  2.5101000000e-03 -5.0528000000e-03  1.3054000000e-03  1.8960000000e-04 -2.3642000000e-03 -1.1678000000e-03  7.9100000000e-05 -1.5693000000e-03  4.1750000000e-03  1.4476000000e-03  4.2439000000e-03  3.0750000000e-04  4.9169000000e-03 -2.9727000000e-03
-
-JOB 9
-COORDS -9.5838000000e-02  7.3177800000e-01  1.0916940000e+00  5.7469400000e-01  1.1408430000e+00  1.6387640000e+00 -6.7633900000e-01  2.9150600000e-01  1.7125090000e+00  1.4299500000e-01 -7.5657600000e-01 -1.1920580000e+00  1.4421800000e-01 -2.0248500000e-01 -4.1153800000e-01 -7.8339700000e-01 -8.6900800000e-01 -1.4051030000e+00
-ENERGY -1.526604020986e+02
-FORCES  1.5401000000e-03 -3.2966000000e-03 -4.9780000000e-04 -4.1697000000e-03 -2.4278000000e-03 -1.5865000000e-03  3.1083000000e-03  2.6014000000e-03 -3.0930000000e-03 -2.9228000000e-03  8.7908000000e-03  1.1100800000e-02  2.2800000000e-04 -5.7592000000e-03 -7.5542000000e-03  2.2160000000e-03  9.1400000000e-05  1.6307000000e-03
-
-JOB 10
-COORDS -9.2296400000e-01  8.5531000000e-01 -3.7954200000e-01 -5.9335800000e-01  1.7092260000e+00 -6.5957500000e-01 -1.6057600000e+00  6.4134600000e-01 -1.0153420000e+00  9.9428500000e-01 -9.0556600000e-01  3.9400300000e-01  8.8783300000e-01 -1.2967730000e+00  1.2611000000e+00  2.1285200000e-01 -3.6530700000e-01  2.7689100000e-01
-ENERGY -1.526611463548e+02
-FORCES  4.3896000000e-03 -1.4710000000e-03 -2.2432000000e-03 -3.1814000000e-03 -3.8535000000e-03  4.3540000000e-04  3.2849000000e-03  2.1687000000e-03  2.7701000000e-03 -9.7687000000e-03  8.0014000000e-03 -2.3252000000e-03 -1.2433000000e-03  2.0978000000e-03 -2.7540000000e-03  6.5190000000e-03 -6.9434000000e-03  4.1169000000e-03
-
-JOB 11
-COORDS  9.2660800000e-01  1.3223000000e-02 -1.0593450000e+00  2.7575400000e-01 -2.2062200000e-01 -3.9757700000e-01  8.6968600000e-01 -6.8671800000e-01 -1.7097870000e+00 -8.4654400000e-01 -1.1825000000e-02  1.0283950000e+00 -5.9089500000e-01  8.6683700000e-01  1.3091580000e+00 -1.7820120000e+00 -6.3732000000e-02  1.2244500000e+00
-ENERGY -1.526609530796e+02
-FORCES -8.6789000000e-03 -3.1892000000e-03  7.3578000000e-03  7.7004000000e-03  1.9207000000e-03 -5.9239000000e-03 -1.0447000000e-03  1.6411000000e-03  2.5376000000e-03 -1.5540000000e-04  3.3455000000e-03 -2.4379000000e-03 -2.1424000000e-03 -5.0551000000e-03 -1.6322000000e-03  4.3210000000e-03  1.3370000000e-03  9.8600000000e-05
-
-JOB 12
-COORDS  1.3419200000e-01 -4.0395000000e-01  1.3730150000e+00  1.5062900000e-01 -4.3449900000e-01  4.1644400000e-01 -6.0190600000e-01  1.7107600000e-01  1.5821480000e+00 -9.8783000000e-02  3.7284100000e-01 -1.2728830000e+00 -6.2794900000e-01 -9.3902000000e-02 -1.9196960000e+00  5.7840300000e-01  8.1124600000e-01 -1.7881030000e+00
-ENERGY -1.526601784907e+02
-FORCES -3.2017000000e-03  6.1851000000e-03 -1.2496600000e-02  7.0310000000e-04 -4.6389000000e-03  6.8676000000e-03  1.6119000000e-03 -1.8795000000e-03  7.6010000000e-04  1.9808000000e-03  5.0790000000e-04 -1.9440000000e-04  3.1070000000e-03  2.3278000000e-03  3.6276000000e-03 -4.2011000000e-03 -2.5023000000e-03  1.4357000000e-03
-
-JOB 13
-COORDS -4.1768800000e-01 -9.8332000000e-01 -7.8700000000e-01 -2.3962100000e-01 -8.3265200000e-01 -1.7153440000e+00 -2.1413200000e-01 -1.9086390000e+00 -6.5068600000e-01  3.5058700000e-01  1.0592090000e+00  8.7319000000e-01  1.2988780000e+00  1.1882790000e+00  8.5541700000e-01  1.8442700000e-01  4.0656100000e-01  1.9298900000e-01
-ENERGY -1.526600503452e+02
-FORCES  1.5665000000e-03 -1.2421000000e-03  1.7502000000e-03  4.4860000000e-04 -4.6290000000e-04  5.7273000000e-03 -9.0280000000e-04  4.4273000000e-03 -2.4450000000e-03 -1.9994000000e-03 -1.0395400000e-02 -7.7220000000e-03 -2.8640000000e-03 -1.4703000000e-03 -9.8300000000e-04  3.7511000000e-03  9.1434000000e-03  3.6725000000e-03
-
-JOB 14
-COORDS  8.0361500000e-01  4.7663100000e-01  1.0969780000e+00  5.2120000000e-02  9.1791400000e-01  1.4929030000e+00  4.3227000000e-01 -2.5473000000e-02  3.7156400000e-01 -6.9846900000e-01 -4.7356500000e-01 -1.0285040000e+00 -7.4777900000e-01 -1.0743660000e+00 -1.7720350000e+00 -1.4208490000e+00  1.3906000000e-01 -1.1666680000e+00
-ENERGY -1.526596211033e+02
-FORCES -8.3917000000e-03 -4.3673000000e-03 -8.6284000000e-03  1.7207000000e-03 -6.1760000000e-04 -1.5549000000e-03  4.1591000000e-03  2.9719000000e-03  6.4653000000e-03  4.9550000000e-04  1.9380000000e-03  2.5570000000e-04 -1.0191000000e-03  3.6748000000e-03  2.9432000000e-03  3.0354000000e-03 -3.5998000000e-03  5.1920000000e-04
-
-JOB 15
-COORDS -2.4167500000e-01 -4.7671000000e-01  1.3381260000e+00 -3.0175900000e-01 -1.7824400000e-01  4.3063600000e-01  2.8527000000e-01 -1.2745880000e+00  1.2939550000e+00  2.6179200000e-01  4.9566400000e-01 -1.2327660000e+00 -2.3378200000e-01 -1.9287300000e-01 -1.6761120000e+00 -4.1813000000e-02  1.3083060000e+00 -1.6373240000e+00
-ENERGY -1.526580554762e+02
-FORCES  5.4059000000e-03  4.1313000000e-03 -1.1064900000e-02 -4.9474000000e-03 -6.8468000000e-03  5.2321000000e-03 -2.1437000000e-03  2.0726000000e-03 -6.4060000000e-04 -1.4118000000e-03  2.2966000000e-03 -1.5018000000e-03  1.7805000000e-03  3.2012000000e-03  6.5527000000e-03  1.3166000000e-03 -4.8549000000e-03  1.4225000000e-03
-
-JOB 16
-COORDS -9.6113300000e-01 -4.3467200000e-01  9.0427700000e-01 -3.3131800000e-01 -1.1473030000e+00  1.0125500000e+00 -1.6658920000e+00 -8.1485700000e-01  3.7986600000e-01  1.0245900000e+00  4.9275300000e-01 -8.8349500000e-01  5.1602400000e-01  1.0782800000e+00 -1.4445210000e+00  3.8047400000e-01  1.1446600000e-01 -2.8495900000e-01
-ENERGY -1.526581387172e+02
-FORCES -1.3254000000e-03 -4.2508000000e-03 -8.2920000000e-04 -1.4864000000e-03  7.3085000000e-03 -4.8050000000e-03  4.6393000000e-03  2.5675000000e-03  1.9969000000e-03 -1.1807600000e-02  2.7680000000e-04  6.9252000000e-03  1.3700000000e-03 -2.0592000000e-03  1.1148000000e-03  8.6102000000e-03 -3.8428000000e-03 -4.4029000000e-03
-
-JOB 17
-COORDS -5.2675500000e-01 -1.6791500000e-01 -1.3450110000e+00 -3.0100400000e-01  2.3092800000e-01 -5.0465800000e-01 -1.9974200000e-01 -1.0651970000e+00 -1.2803530000e+00  5.2075700000e-01  1.3605600000e-01  1.2675090000e+00 -3.7725800000e-01  3.1159400000e-01  1.5485550000e+00  9.9228700000e-01  9.4904000000e-01  1.4490280000e+00
-ENERGY -1.526580154502e+02
-FORCES  8.3889000000e-03 -2.2583000000e-03  1.1364900000e-02 -7.4116000000e-03  2.6366000000e-03 -3.8229000000e-03 -2.0603000000e-03  1.8558000000e-03 -1.7760000000e-03 -2.2940000000e-04  2.0354000000e-03  2.3073000000e-03  4.8645000000e-03 -2.4620000000e-04 -6.1940000000e-03 -3.5520000000e-03 -4.0233000000e-03 -1.8793000000e-03
-
-JOB 18
-COORDS  3.3388800000e-01 -1.4107740000e+00 -3.2980000000e-02  4.3940000000e-02 -5.2957700000e-01  2.0293000000e-01  1.0358580000e+00 -1.2703740000e+00 -6.6839800000e-01 -3.0855200000e-01  1.3272060000e+00  9.2876000000e-02 -3.3877600000e-01  1.4700360000e+00 -8.5312500000e-01 -1.1575920000e+00  1.6357040000e+00  4.0940800000e-01
-ENERGY -1.526602241315e+02
-FORCES -2.6340000000e-04  1.3257800000e-02  6.7130000000e-04  1.0950000000e-03 -9.7653000000e-03 -1.3184000000e-03 -2.5057000000e-03 -1.2910000000e-04  9.3070000000e-04 -3.0378000000e-03  1.0750000000e-04 -3.1121000000e-03  4.5620000000e-04 -1.5569000000e-03  5.0800000000e-03  4.2557000000e-03 -1.9140000000e-03 -2.2516000000e-03
-
-JOB 19
-COORDS  1.3507270000e+00  8.0186000000e-02 -5.0033800000e-01  4.5529700000e-01  7.4369000000e-02 -1.6210200000e-01  1.6799510000e+00  9.5471800000e-01 -2.9288200000e-01 -1.3404110000e+00 -6.3633000000e-02  4.7786100000e-01 -7.7363500000e-01 -5.6588700000e-01  1.0632990000e+00 -1.5325890000e+00 -6.6336500000e-01 -2.4298700000e-01
-ENERGY -1.526576679558e+02
-FORCES -9.8239000000e-03  5.4114000000e-03  2.9794000000e-03  7.3732000000e-03 -6.7829000000e-03  9.2810000000e-04 -1.1478000000e-03 -3.0712000000e-03 -2.4560000000e-04 -1.3429000000e-03 -5.7361000000e-03 -5.1200000000e-05  1.3321000000e-03  5.8664000000e-03 -7.4902000000e-03  3.6094000000e-03  4.3124000000e-03  3.8794000000e-03
-
-JOB 20
-COORDS  1.3564430000e+00  9.6348000000e-02 -2.5350300000e-01  1.6198620000e+00 -3.9123100000e-01 -1.0339570000e+00  1.5703040000e+00 -4.8502600000e-01  4.7622200000e-01 -1.4414490000e+00 -7.1422000000e-02  2.1739200000e-01 -1.5751420000e+00  5.4397600000e-01  9.3825500000e-01 -4.9457800000e-01 -7.4764000000e-02  7.7186000000e-02
-ENERGY -1.526603415598e+02
-FORCES  2.6023000000e-03 -3.2211000000e-03 -1.8411000000e-03 -1.5591000000e-03  2.0342000000e-03  4.8405000000e-03 -4.5079000000e-03  3.3003000000e-03 -4.1072000000e-03  1.1542900000e-02  4.3370000000e-03 -1.5196000000e-03  1.1114000000e-03 -2.2829000000e-03 -1.7256000000e-03 -9.1896000000e-03 -4.1675000000e-03  4.3530000000e-03
-
-JOB 21
-COORDS -1.0659070000e+00  3.9951000000e-01  7.8096700000e-01 -1.1637510000e+00  1.2701180000e+00  1.1665850000e+00 -8.1378000000e-01 -1.6103100000e-01  1.5147630000e+00  1.0935550000e+00 -3.7442400000e-01 -8.8141800000e-01  3.9599600000e-01 -1.1637000000e-01 -2.7888000000e-01  1.1404970000e+00 -1.3270280000e+00 -8.0034000000e-01
-ENERGY -1.526597786774e+02
-FORCES  4.4410000000e-04  2.9859000000e-03  3.1138000000e-03  2.0800000000e-04 -5.0311000000e-03 -9.8080000000e-04  9.5230000000e-04  2.5257000000e-03 -5.9843000000e-03 -9.8843000000e-03  1.8971000000e-03  5.3972000000e-03  9.1528000000e-03 -5.5119000000e-03 -2.7649000000e-03 -8.7300000000e-04  3.1343000000e-03  1.2191000000e-03
-
-JOB 22
-COORDS  3.6701400000e-01  5.1078000000e-01  1.2054830000e+00 -1.7843400000e-01  2.4727000000e-01  1.9466180000e+00  5.1257100000e-01  1.4478260000e+00  1.3358220000e+00 -3.8671200000e-01 -5.9417200000e-01 -1.2417310000e+00  1.6744200000e-01 -4.0485000000e-02 -6.9166200000e-01 -1.4552600000e-01 -3.6005800000e-01 -2.1379740000e+00
-ENERGY -1.526592359617e+02
-FORCES -5.1762000000e-03 -1.2002000000e-03  2.1173000000e-03  3.3569000000e-03  2.8317000000e-03 -1.8334000000e-03 -8.2920000000e-04 -4.4347000000e-03 -1.6596000000e-03  3.6551000000e-03  3.9189000000e-03  6.8993000000e-03 -1.0142000000e-03 -1.8438000000e-03 -9.7659000000e-03  7.6000000000e-06  7.2810000000e-04  4.2423000000e-03
-
-JOB 23
-COORDS -8.5795700000e-01  6.8252000000e-01 -9.3409700000e-01 -5.0375600000e-01  1.3401150000e+00 -1.5327140000e+00 -8.6332000000e-02  2.4465000000e-01 -5.7479500000e-01  8.2221200000e-01 -6.3433200000e-01  9.2896400000e-01  1.0159720000e+00 -1.5048670000e+00  5.8131900000e-01  1.3092300000e-01 -7.8205200000e-01  1.5743560000e+00
-ENERGY -1.526609598970e+02
-FORCES  8.1101000000e-03 -2.5045000000e-03  5.5412000000e-03  8.1700000000e-05 -2.7378000000e-03  2.4331000000e-03 -6.2439000000e-03  2.9496000000e-03 -8.5410000000e-03 -4.2526000000e-03 -2.7130000000e-03  3.6097000000e-03 -1.9571000000e-03  5.3427000000e-03  2.0440000000e-04  4.2617000000e-03 -3.3700000000e-04 -3.2474000000e-03
-
-JOB 24
-COORDS  1.3729210000e+00 -2.0093200000e-01 -4.4913200000e-01  1.1992210000e+00 -3.8134200000e-01 -1.3729900000e+00  5.0528700000e-01 -1.3382700000e-01 -5.0459000000e-02 -1.2496890000e+00  2.2456900000e-01  4.6430800000e-01 -1.6664700000e+00  2.0718700000e-01  1.3258320000e+00 -1.9404550000e+00 -4.2983000000e-02 -1.4190200000e-01
-ENERGY -1.526603881469e+02
-FORCES -1.1770100000e-02  1.7487000000e-03  2.1007000000e-03 -2.5220000000e-04  3.9440000000e-04  2.5683000000e-03  8.6380000000e-03 -2.0603000000e-03 -3.5501000000e-03 -6.9380000000e-04 -1.2107000000e-03  4.8640000000e-04  7.1520000000e-04 -1.2800000000e-05 -4.8588000000e-03  3.3629000000e-03  1.1407000000e-03  3.2536000000e-03
-
-JOB 25
-COORDS  1.0996640000e+00  7.3508700000e-01  3.9795200000e-01  1.1002820000e+00  3.5807800000e-01  1.2777790000e+00  2.0062790000e+00  6.5446000000e-01  1.0167400000e-01 -1.1529890000e+00 -7.6465100000e-01 -4.7377400000e-01 -4.1605300000e-01 -1.8888800000e-01 -2.6967900000e-01 -1.8803050000e+00 -4.1524800000e-01  4.1163000000e-02
-ENERGY -1.526611092999e+02
-FORCES  3.5163000000e-03 -2.8562000000e-03  8.3180000000e-04 -9.8820000000e-04  1.6428000000e-03 -5.2919000000e-03 -3.9937000000e-03  3.7960000000e-04  2.7429000000e-03  7.0738000000e-03  8.0303000000e-03  2.5764000000e-03 -8.7114000000e-03 -6.2383000000e-03 -2.6240000000e-04  3.1031000000e-03 -9.5830000000e-04 -5.9680000000e-04
-
-JOB 26
-COORDS  8.5876700000e-01  9.6140400000e-01  5.0996400000e-01  1.6618600000e-01  1.4359100000e+00  5.0174000000e-02  1.0403440000e+00  1.4931840000e+00  1.2848650000e+00 -8.7993200000e-01 -9.9607500000e-01 -5.6405100000e-01 -6.8429700000e-01 -1.9221480000e+00 -4.2141200000e-01 -1.7175700000e-01 -5.2997300000e-01 -1.1967700000e-01
-ENERGY -1.526604409467e+02
-FORCES -2.5689000000e-03  3.3768000000e-03  2.0307000000e-03  3.4206000000e-03 -5.5539000000e-03  3.1651000000e-03 -9.4150000000e-04 -1.0682000000e-03 -4.2319000000e-03  7.5824000000e-03  1.5615000000e-03  5.1384000000e-03 -1.5070000000e-04  3.0011000000e-03  1.5190000000e-04 -7.3420000000e-03 -1.3172000000e-03 -6.2542000000e-03
-
-JOB 27
-COORDS  1.2424840000e+00 -9.1017000000e-02 -6.2568500000e-01  1.7092140000e+00 -3.8590600000e-01  1.5625800000e-01  1.6211550000e+00  7.6581600000e-01 -8.2235200000e-01 -1.3425720000e+00  4.1339000000e-02  6.2634700000e-01 -8.2019100000e-01  8.2965900000e-01  7.7433400000e-01 -9.0421900000e-01 -4.0447300000e-01 -9.8450000000e-02
-ENERGY -1.526577974023e+02
-FORCES  1.9341000000e-03  1.6270000000e-03  3.3637000000e-03 -2.4142000000e-03  2.2000000000e-03 -3.7669000000e-03 -2.4426000000e-03 -3.5081000000e-03  2.2362000000e-03  1.1074900000e-02  1.4206000000e-03 -6.6585000000e-03 -2.3566000000e-03 -3.1300000000e-04  1.9171000000e-03 -5.7957000000e-03 -1.4264000000e-03  2.9084000000e-03
-
-JOB 28
-COORDS -5.2788800000e-01 -1.3063490000e+00  1.0338200000e-01 -7.0564500000e-01 -1.2809210000e+00 -8.3682400000e-01  1.8679000000e-01 -1.9364070000e+00  1.9554800000e-01  4.8915100000e-01  1.3897380000e+00 -1.0175500000e-01  1.9639600000e-01  4.7840700000e-01 -1.0310900000e-01  9.3645500000e-01  1.4968650000e+00  7.3769400000e-01
-ENERGY -1.526597616275e+02
-FORCES  7.9890000000e-04 -4.3329000000e-03 -2.6367000000e-03  3.2101000000e-03  2.8178000000e-03  6.0433000000e-03 -3.3747000000e-03  4.2305000000e-03 -6.1950000000e-04 -3.3213000000e-03 -1.0308800000e-02  5.5837000000e-03  3.4390000000e-03  7.9384000000e-03 -5.7577000000e-03 -7.5200000000e-04 -3.4510000000e-04 -2.6130000000e-03
-
-JOB 29
-COORDS -2.1044600000e-01  1.9281700000e-01  1.4114480000e+00  1.4185000000e-02  1.0493960000e+00  1.7748290000e+00 -9.9248600000e-01  3.5370400000e-01  8.8347000000e-01  1.8883500000e-01 -2.2274800000e-01 -1.4259880000e+00  7.6115400000e-01 -8.5125900000e-01 -1.8660530000e+00  5.7679400000e-01 -1.1171800000e-01 -5.5800600000e-01
-ENERGY -1.526609049322e+02
-FORCES -5.6167000000e-03  3.3089000000e-03  8.1000000000e-05 -5.9540000000e-04 -3.9391000000e-03 -2.7558000000e-03  5.6743000000e-03 -1.1860000000e-04  3.1207000000e-03  3.3280000000e-03 -1.7503000000e-03  6.2002000000e-03 -1.3854000000e-03  2.2662000000e-03  2.5388000000e-03 -1.4048000000e-03  2.3290000000e-04 -9.1848000000e-03
-
-JOB 30
-COORDS  9.9345100000e-01  8.8734800000e-01 -6.1160900000e-01  1.7037600000e+00  7.3281800000e-01 -1.2343550000e+00  7.1006400000e-01  1.1682000000e-02 -3.4867800000e-01 -9.5827900000e-01 -8.1456900000e-01  6.0532900000e-01 -1.5169400000e+00 -1.5687000000e+00  4.1714000000e-01 -1.4482290000e+00 -3.0880000000e-01  1.2536950000e+00
-ENERGY -1.526597560078e+02
-FORCES -3.2937000000e-03 -6.1086000000e-03  1.6621000000e-03 -3.1352000000e-03 -7.2380000000e-04  2.1604000000e-03  7.1006000000e-03  4.8922000000e-03 -3.8450000000e-03 -3.8420000000e-03  2.3132000000e-03  1.4859000000e-03  2.1865000000e-03  3.4345000000e-03  1.0096000000e-03  9.8380000000e-04 -3.8074000000e-03 -2.4730000000e-03
-
-JOB 31
-COORDS  2.9659600000e-01 -1.3157170000e+00  6.1420000000e-01  1.5644200000e-01 -8.6048800000e-01  1.4444740000e+00 -5.6260100000e-01 -1.3153420000e+00  1.9228300000e-01 -2.0534300000e-01  1.3328920000e+00 -6.6741500000e-01 -1.1610220000e+00  1.2800990000e+00 -6.7846300000e-01  6.8284000000e-02  6.1212300000e-01 -1.0009500000e-01
-ENERGY -1.526550461211e+02
-FORCES -4.4332000000e-03 -2.4928000000e-03  2.0527000000e-03  7.6740000000e-04  8.4660000000e-04 -7.3627000000e-03  4.9982000000e-03  4.1563000000e-03  1.9630000000e-03  8.1430000000e-04 -7.1223000000e-03  2.9692000000e-03  3.7520000000e-03 -1.6613000000e-03  7.4890000000e-04 -5.8987000000e-03  6.2735000000e-03 -3.7110000000e-04
-
-JOB 32
-COORDS  3.9772500000e-01 -2.5688600000e-01  1.4212730000e+00  2.0214600000e-01 -2.0459100000e-01  4.8572700000e-01  1.2770800000e+00  1.1215000000e-01  1.5036120000e+00 -4.2828100000e-01  2.3812700000e-01 -1.3035240000e+00  8.2869000000e-02  6.0004300000e-01 -2.0273850000e+00 -1.1365770000e+00 -2.4575500000e-01 -1.7282670000e+00
-ENERGY -1.526610250291e+02
-FORCES -4.7720000000e-04  3.0297000000e-03 -9.6585000000e-03  2.8600000000e-03 -2.5540000000e-03  9.2155000000e-03 -2.4876000000e-03 -9.2840000000e-04 -7.5050000000e-04 -8.6910000000e-04 -3.2730000000e-04 -2.7985000000e-03 -2.8835000000e-03 -1.9546000000e-03  2.9183000000e-03  3.8573000000e-03  2.7346000000e-03  1.0737000000e-03
-
-JOB 33
-COORDS -4.5036100000e-01  7.6098500000e-01  1.1360070000e+00 -6.9016200000e-01  2.0137500000e-01  1.8746300000e+00 -1.2769950000e+00  9.2814500000e-01  6.8327400000e-01  5.1706600000e-01 -7.0348500000e-01 -1.2193320000e+00  6.8181600000e-01 -1.6298930000e+00 -1.0436720000e+00  3.1743400000e-01 -3.2838800000e-01 -3.6161300000e-01
-ENERGY -1.526609186115e+02
-FORCES -5.6723000000e-03  8.9290000000e-04  2.2945000000e-03  1.3320000000e-03  1.9159000000e-03 -4.6559000000e-03  5.1147000000e-03 -2.2258000000e-03  2.3005000000e-03 -7.7800000000e-04  2.4399000000e-03  8.9216000000e-03 -1.0272000000e-03  3.1879000000e-03  4.2200000000e-04  1.0307000000e-03 -6.2108000000e-03 -9.2827000000e-03
-
-JOB 34
-COORDS -5.6738400000e-01  1.3817600000e+00 -2.5497900000e-01  1.0244600000e-01  6.9934300000e-01 -2.9819500000e-01 -7.7255600000e-01  1.4579820000e+00  6.7686100000e-01  5.3760600000e-01 -1.3225480000e+00  1.4368100000e-01 -1.7004400000e-01 -1.7094340000e+00  6.5922200000e-01  1.3062110000e+00 -1.3780190000e+00  7.1148500000e-01
-ENERGY -1.526590499846e+02
-FORCES  4.1419000000e-03 -8.9732000000e-03  3.5771000000e-03 -1.8111000000e-03  8.7902000000e-03 -7.8660000000e-04  1.0070000000e-04 -1.4410000000e-04 -2.5764000000e-03 -2.3014000000e-03 -3.4200000000e-03  3.8154000000e-03  4.2585000000e-03  1.8578000000e-03 -1.5160000000e-03 -4.3886000000e-03  1.8893000000e-03 -2.5135000000e-03
-
-JOB 35
-COORDS  1.2508380000e+00  2.7800100000e-01 -8.3058700000e-01  7.5003400000e-01  2.3166000000e-02 -5.5676000000e-02  7.6675900000e-01  1.0183170000e+00 -1.1964180000e+00 -1.1313470000e+00 -3.2978900000e-01  7.9575600000e-01 -1.7217460000e+00  5.6000000000e-03  1.2108900000e-01 -1.6235230000e+00 -2.3963400000e-01  1.6117630000e+00
-ENERGY -1.526595227271e+02
-FORCES -7.3919000000e-03  3.9220000000e-04  5.7332000000e-03  6.2783000000e-03  1.8694000000e-03 -5.5560000000e-03  9.0540000000e-04 -2.4465000000e-03  3.3750000000e-04 -4.5104000000e-03  8.2210000000e-04  2.7900000000e-04  3.2482000000e-03 -4.4870000000e-04  3.6107000000e-03  1.4705000000e-03 -1.8850000000e-04 -4.4044000000e-03
-
-JOB 36
-COORDS  1.1665360000e+00  4.9864000000e-02  9.7444300000e-01  1.6511970000e+00  6.8804100000e-01  4.5093000000e-01  5.2941500000e-01 -3.2504800000e-01  3.6637200000e-01 -1.1293320000e+00 -1.1895500000e-01 -9.2013200000e-01 -1.0227860000e+00  7.1394700000e-01 -1.3796470000e+00 -1.7760600000e+00  6.3987000000e-02 -2.3858300000e-01
-ENERGY -1.526599456926e+02
-FORCES -4.9208000000e-03 -1.8900000000e-04 -8.9566000000e-03 -1.6092000000e-03 -1.3699000000e-03  1.7762000000e-03  5.9190000000e-03  8.6480000000e-04  7.1986000000e-03 -3.5262000000e-03  5.7058000000e-03  8.3400000000e-04  1.2900000000e-04 -3.9033000000e-03  2.5107000000e-03  4.0083000000e-03 -1.1084000000e-03 -3.3629000000e-03
-
-JOB 37
-COORDS  3.5021500000e-01  1.3609490000e+00 -5.4685600000e-01  3.2390300000e-01  1.0130540000e+00  3.4449600000e-01  1.1895770000e+00  1.0618850000e+00 -8.9651900000e-01 -3.5373900000e-01 -1.3500570000e+00  5.5405400000e-01 -1.1265720000e+00 -8.4951900000e-01  8.1562900000e-01 -3.8224500000e-01 -1.3530110000e+00 -4.0271700000e-01
-ENERGY -1.526571324802e+02
-FORCES  4.4601000000e-03 -6.1835000000e-03  4.6845000000e-03 -2.0599000000e-03  4.2320000000e-03 -3.1608000000e-03 -3.5988000000e-03  1.1283000000e-03  1.5310000000e-04 -4.5125000000e-03  3.3374000000e-03 -6.3097000000e-03  4.7187000000e-03 -7.7200000000e-04  3.1640000000e-04  9.9230000000e-04 -1.7422000000e-03  4.3165000000e-03
-
-JOB 38
-COORDS  1.8756300000e-01  1.0618770000e+00  9.8438300000e-01 -2.0786900000e-01  1.6304820000e+00  3.2366000000e-01  1.0924200000e+00  1.3665090000e+00  1.0526760000e+00 -2.6788700000e-01 -1.1095480000e+00 -1.0036710000e+00  3.9552300000e-01 -1.7875680000e+00 -8.7558000000e-01 -1.2022100000e-01 -4.9108800000e-01 -2.8817600000e-01
-ENERGY -1.526609207716e+02
-FORCES  2.6504000000e-03  5.9388000000e-03 -9.5560000000e-04  2.5806000000e-03 -5.2569000000e-03  2.7363000000e-03 -4.5275000000e-03 -1.5629000000e-03 -6.2040000000e-04  3.6172000000e-03  3.1894000000e-03  8.2609000000e-03 -1.7086000000e-03  2.3990000000e-03 -3.8110000000e-04 -2.6121000000e-03 -4.7075000000e-03 -9.0401000000e-03
-
-JOB 39
-COORDS  5.3764100000e-01  6.8067000000e-02  1.3968230000e+00  3.4085300000e-01  7.1615900000e-01  2.0731980000e+00 -2.0632900000e-01  1.1441400000e-01  7.9633000000e-01 -4.5155000000e-01 -1.5731300000e-01 -1.3920750000e+00 -1.3971930000e+00 -5.0741000000e-02 -1.2889590000e+00 -1.4139200000e-01  7.0545700000e-01 -1.6671410000e+00
-ENERGY -1.526560882552e+02
-FORCES -3.8663000000e-03  4.1000000000e-05 -4.6240000000e-03  8.9300000000e-05 -2.0439000000e-03 -4.0237000000e-03  4.7730000000e-04  2.5326000000e-03  8.0558000000e-03  2.0020000000e-04  3.3871000000e-03 -4.5353000000e-03  5.7090000000e-03  1.0580000000e-04  3.1277000000e-03 -2.6095000000e-03 -4.0226000000e-03  1.9996000000e-03
-
-JOB 40
-COORDS -7.3848700000e-01  5.9150200000e-01  1.0630180000e+00 -8.4984200000e-01 -1.3755100000e-01  1.6731940000e+00 -1.1301790000e+00  1.3412920000e+00  1.5109280000e+00  7.5698100000e-01 -6.5308500000e-01 -1.1421360000e+00  4.6182500000e-01 -1.6937700000e-01 -3.7068200000e-01  1.2802170000e+00 -2.1540000000e-02 -1.6357010000e+00
-ENERGY -1.526605561304e+02
-FORCES -2.7150000000e-03  9.6320000000e-04  2.8813000000e-03  1.0778000000e-03  4.0331000000e-03 -3.0683000000e-03  1.0501000000e-03 -4.0405000000e-03 -8.8050000000e-04 -2.7373000000e-03  6.9645000000e-03  4.4596000000e-03  5.0390000000e-03 -6.1894000000e-03 -4.9587000000e-03 -1.7146000000e-03 -1.7308000000e-03  1.5666000000e-03
-
-JOB 41
-COORDS -1.1778820000e+00 -6.3569900000e-01 -6.7456700000e-01 -1.7702910000e+00  1.6710000000e-03 -1.0733680000e+00 -5.1791800000e-01 -8.0359300000e-01 -1.3472420000e+00  1.2110610000e+00  6.6368900000e-01  7.1436500000e-01  4.0808000000e-01  2.9557200000e-01  3.4565900000e-01  1.4044990000e+00  1.0890100000e-01  1.4700250000e+00
-ENERGY -1.526610420086e+02
-FORCES -2.9238000000e-03  2.7820000000e-04 -6.3798000000e-03  3.4855000000e-03 -3.1676000000e-03  1.7657000000e-03 -2.4688000000e-03  2.4617000000e-03  5.4988000000e-03 -7.0726000000e-03 -4.9731000000e-03  7.1600000000e-04  9.4270000000e-03  3.6870000000e-03  1.0573000000e-03 -4.4740000000e-04  1.7139000000e-03 -2.6581000000e-03
-
-JOB 42
-COORDS  6.1597300000e-01 -5.1257000000e-01  1.3039280000e+00  1.7831400000e-01 -1.3637420000e+00  1.3178100000e+00  1.2295900000e+00 -5.7014500000e-01  5.7154000000e-01 -5.9234000000e-01  6.2530300000e-01 -1.2680540000e+00 -5.1280600000e-01 -5.1800000000e-03 -5.5223500000e-01 -1.2706740000e+00  2.5952400000e-01 -1.8357700000e+00
-ENERGY -1.526565728841e+02
-FORCES  4.8951000000e-03 -3.3661000000e-03  4.2720000000e-04  4.9460000000e-04  5.5510000000e-03 -2.4572000000e-03 -6.2800000000e-03  3.0300000000e-05  2.7716000000e-03 -2.0483000000e-03 -2.5697000000e-03  4.5031000000e-03  1.5450000000e-04 -2.4640000000e-04 -8.4246000000e-03  2.7841000000e-03  6.0080000000e-04  3.1799000000e-03
-
-JOB 43
-COORDS -6.1483600000e-01 -1.3759420000e+00  3.7232800000e-01 -6.9386300000e-01 -4.5479100000e-01  1.2440200000e-01 -8.3475000000e-01 -1.8586420000e+00 -4.2446000000e-01  6.0423400000e-01  1.3100650000e+00 -2.6639600000e-01  1.1311270000e+00  1.0750590000e+00 -1.0301950000e+00  5.2959200000e-01  2.2633330000e+00 -3.1043300000e-01
-ENERGY -1.526589137547e+02
-FORCES  4.0810000000e-04  6.0119000000e-03 -3.2054000000e-03 -3.3451000000e-03 -8.3113000000e-03  6.4360000000e-04  1.4643000000e-03  2.1202000000e-03  2.3451000000e-03  4.1475000000e-03  3.0794000000e-03 -2.5674000000e-03 -3.3574000000e-03  1.6339000000e-03  2.9356000000e-03  6.8270000000e-04 -4.5341000000e-03 -1.5150000000e-04
-
-JOB 44
-COORDS  9.3542000000e-02 -5.1910200000e-01  1.3770470000e+00  1.0315740000e+00 -6.3236000000e-01  1.5303440000e+00 -3.1106400000e-01 -1.2813390000e+00  1.7911950000e+00 -5.9791000000e-02  5.8353700000e-01 -1.4312170000e+00 -4.0621200000e-01  8.0981400000e-01 -5.6807000000e-01 -7.6928200000e-01  1.0112800000e-01 -1.8556410000e+00
-ENERGY -1.526572236564e+02
-FORCES  3.8171000000e-03 -3.9482000000e-03  1.1990000000e-04 -4.3023000000e-03  1.8940000000e-04  7.1210000000e-04  1.7626000000e-03  2.9855000000e-03 -2.0350000000e-03 -3.7971000000e-03 -3.7666000000e-03  6.7280000000e-03  2.1470000000e-04  2.8653000000e-03 -6.5024000000e-03  2.3051000000e-03  1.6745000000e-03  9.7740000000e-04
-
-JOB 45
-COORDS -9.7857300000e-01 -7.7764700000e-01  9.2029400000e-01 -2.8570400000e-01 -2.2286900000e-01  5.6198500000e-01 -5.7969600000e-01 -1.1977250000e+00  1.6823060000e+00  9.2571200000e-01  7.3941600000e-01 -8.8423500000e-01  7.1901000000e-01  1.6658690000e+00 -1.0074860000e+00  8.8500300000e-01  3.6529500000e-01 -1.7643530000e+00
-ENERGY -1.526616953785e+02
-FORCES  6.8253000000e-03  2.9582000000e-03 -2.0763000000e-03 -6.7157000000e-03 -4.5823000000e-03  6.7283000000e-03 -8.6900000000e-04  1.6201000000e-03 -2.7319000000e-03 -7.6310000000e-04  1.8143000000e-03 -6.1098000000e-03  8.3890000000e-04 -4.5829000000e-03  4.5680000000e-04  6.8350000000e-04  2.7726000000e-03  3.7330000000e-03
-
-JOB 46
-COORDS  8.6019700000e-01  8.9263900000e-01 -8.4996700000e-01 -4.5319000000e-02  1.0462910000e+00 -1.1195290000e+00  1.3854510000e+00  1.1891230000e+00 -1.5932280000e+00 -8.5742300000e-01 -9.4729400000e-01  9.5457300000e-01  8.4680000000e-03 -7.8348000000e-01  5.8090100000e-01 -1.4633480000e+00 -5.0799600000e-01  3.5782900000e-01
-ENERGY -1.526568190497e+02
-FORCES -3.3070000000e-04  3.4989000000e-03 -4.8887000000e-03  3.2483000000e-03 -2.6293000000e-03  2.0063000000e-03 -2.9587000000e-03 -9.2830000000e-04  3.2338000000e-03  4.0955000000e-03  3.6957000000e-03 -4.7707000000e-03 -5.9015000000e-03 -3.1293000000e-03  3.1885000000e-03  1.8471000000e-03 -5.0770000000e-04  1.2308000000e-03
-
-JOB 47
-COORDS -3.0504300000e-01 -3.2677100000e-01  1.4334390000e+00  3.9067600000e-01 -2.4639300000e-01  2.0859320000e+00 -6.2941800000e-01 -1.2213080000e+00  1.5374390000e+00  3.3751200000e-01  3.5400500000e-01 -1.5163530000e+00 -5.4555600000e-01  4.7918100000e-01 -1.8638480000e+00  2.7109900000e-01  6.0668600000e-01 -5.9549800000e-01
-ENERGY -1.526590313181e+02
-FORCES  9.6360000000e-04 -5.8349000000e-03  2.2579000000e-03 -2.9194000000e-03 -1.5900000000e-04 -3.4311000000e-03  1.1754000000e-03  4.0117000000e-03  9.6420000000e-04 -4.8410000000e-03 -8.2400000000e-05  6.8613000000e-03  2.9319000000e-03 -6.9320000000e-04  6.1580000000e-04  2.6895000000e-03  2.7577000000e-03 -7.2681000000e-03
-
-JOB 48
-COORDS -1.1830230000e+00  8.6403100000e-01 -5.2078300000e-01 -1.3596270000e+00  1.7976310000e+00 -6.3668500000e-01 -2.5259500000e-01  8.2138200000e-01 -3.0006600000e-01  1.1021260000e+00 -8.6958400000e-01  5.5072800000e-01  1.9615170000e+00 -7.6877000000e-01  1.4144100000e-01  8.5788500000e-01 -1.7783230000e+00  3.7530900000e-01
-ENERGY -1.526585705272e+02
-FORCES  4.9876000000e-03  2.1540000000e-04  2.5561000000e-03  1.6223000000e-03 -3.5467000000e-03  6.4140000000e-04 -5.6077000000e-03  5.4848000000e-03 -4.0930000000e-03  1.0103000000e-03 -6.5913000000e-03 -1.4723000000e-03 -4.6423000000e-03  8.2350000000e-04  1.2616000000e-03  2.6298000000e-03  3.6142000000e-03  1.1063000000e-03
-
-JOB 49
-COORDS -7.0544300000e-01 -8.0459200000e-01  1.0774840000e+00 -1.3083730000e+00 -1.4488800000e+00  7.0654000000e-01  3.4826000000e-02 -1.3226900000e+00  1.3934080000e+00  6.9025800000e-01  9.3921200000e-01 -1.1000450000e+00  1.0068400000e-01  3.5810300000e-01 -6.1947600000e-01  1.5153200000e+00  4.5646000000e-01 -1.1495940000e+00
-ENERGY -1.526593446256e+02
-FORCES -4.0850000000e-04 -5.7687000000e-03  3.7774000000e-03  3.8719000000e-03  3.6551000000e-03  8.1520000000e-04 -3.3871000000e-03  2.5075000000e-03 -2.7513000000e-03 -1.7366000000e-03 -5.5978000000e-03  5.6788000000e-03  4.2570000000e-03  3.8802000000e-03 -7.8727000000e-03 -2.5967000000e-03  1.3237000000e-03  3.5250000000e-04
-
-JOB 50
-COORDS  1.4188170000e+00 -3.3238200000e-01 -6.2298900000e-01  1.9935510000e+00  3.3163900000e-01 -1.0037630000e+00  6.2650300000e-01  1.4669000000e-01 -3.8017000000e-01 -1.3590080000e+00  2.1512900000e-01  6.2595800000e-01 -1.3504630000e+00  1.0913430000e+00  2.4072000000e-01 -2.1863580000e+00  1.7181300000e-01  1.1053820000e+00
-ENERGY -1.526554411771e+02
-FORCES -3.2868000000e-03  2.5286000000e-03  1.6124000000e-03 -3.0679000000e-03 -2.0520000000e-03  1.6906000000e-03  5.4253000000e-03  2.3472000000e-03 -4.1152000000e-03 -5.7504000000e-03  1.3418000000e-03  2.4298000000e-03  3.4439000000e-03 -5.1482000000e-03  6.6610000000e-04  3.2359000000e-03  9.8270000000e-04 -2.2837000000e-03
-
-JOB 51
-COORDS -7.6351200000e-01  1.3919760000e+00  9.8000000000e-05 -1.6519200000e+00  1.7434470000e+00  5.8670000000e-02 -3.7974800000e-01  1.5651710000e+00  8.5972600000e-01  8.4568500000e-01 -1.4577730000e+00 -4.5182000000e-02  3.2508900000e-01 -1.1424570000e+00  6.9359200000e-01  4.0091700000e-01 -1.1098090000e+00 -8.1805600000e-01
-ENERGY -1.526570691386e+02
-FORCES -1.6642000000e-03  4.4423000000e-03  3.5278000000e-03  4.0811000000e-03 -1.8919000000e-03 -1.1350000000e-04 -2.4080000000e-03 -2.0497000000e-03 -3.4495000000e-03 -5.9477000000e-03  5.7051000000e-03 -1.3218000000e-03  3.0922000000e-03 -2.1180000000e-03 -3.1700000000e-04  2.8467000000e-03 -4.0878000000e-03  1.6740000000e-03
-
-JOB 52
-COORDS  4.6915100000e-01 -1.0621260000e+00  1.2210450000e+00 -1.7553200000e-01 -4.0061500000e-01  9.7001100000e-01  1.3038010000e+00 -5.9356400000e-01  1.2273790000e+00 -4.9090400000e-01  9.3891200000e-01 -1.1807600000e+00 -1.1491730000e+00  1.5728070000e+00 -1.4655250000e+00  3.4673700000e-01  1.3684280000e+00 -1.3542700000e+00
-ENERGY -1.526572407007e+02
-FORCES -9.1180000000e-04  5.8715000000e-03 -3.9442000000e-03  3.0203000000e-03 -4.0415000000e-03  5.2328000000e-03 -2.3320000000e-03 -1.7149000000e-03  8.0200000000e-05  7.8670000000e-04  4.4435000000e-03 -4.4763000000e-03  3.1516000000e-03 -2.8671000000e-03  1.4531000000e-03 -3.7149000000e-03 -1.6915000000e-03  1.6544000000e-03
-
-JOB 53
-COORDS -6.6860800000e-01  1.4718570000e+00 -1.4016700000e-01 -1.1668270000e+00  2.0816020000e+00  4.0409500000e-01  2.1330500000e-01  1.4837500000e+00  2.3174700000e-01  6.6756600000e-01 -1.4766490000e+00  1.3932600000e-01  8.3266400000e-01 -1.2882960000e+00 -7.8452300000e-01  7.2954000000e-02 -2.2266880000e+00  1.2879900000e-01
-ENERGY -1.526549893236e+02
-FORCES  2.4423000000e-03  3.2690000000e-04  5.1153000000e-03  1.8047000000e-03 -2.5920000000e-03 -2.0189000000e-03 -3.3334000000e-03  2.2609000000e-03 -2.7886000000e-03 -4.4869000000e-03 -1.2212000000e-03 -4.3829000000e-03  7.6490000000e-04 -1.0118000000e-03  4.0000000000e-03  2.8084000000e-03  2.2372000000e-03  7.5100000000e-05
-
-JOB 54
-COORDS  1.2678720000e+00 -7.0448200000e-01  7.7774900000e-01  9.7780100000e-01 -1.2247590000e+00  1.5270180000e+00  9.9446100000e-01 -1.2114790000e+00  1.3267000000e-02 -1.2280390000e+00  7.8335100000e-01 -8.3511100000e-01 -9.0263300000e-01  1.1900950000e+00 -3.2053000000e-02 -1.6953050000e+00  3.0930000000e-03 -5.3662700000e-01
-ENERGY -1.526556491077e+02
-FORCES -1.0478000000e-03 -4.5218000000e-03 -2.0123000000e-03  1.2890000000e-04  2.8252000000e-03 -3.3779000000e-03  1.1295000000e-03  9.6750000000e-04  4.5487000000e-03  1.4830000000e-03 -9.7310000000e-04  6.4021000000e-03 -3.6805000000e-03 -3.7930000000e-04 -3.8125000000e-03  1.9870000000e-03  2.0815000000e-03 -1.7481000000e-03
-
-JOB 55
-COORDS -5.3426600000e-01  8.5966900000e-01 -1.3492260000e+00 -6.7339700000e-01  2.9653000000e-01 -2.1106390000e+00 -5.6604700000e-01  2.6364900000e-01 -6.0090700000e-01  4.9039400000e-01 -7.4967400000e-01  1.3531620000e+00  6.1391300000e-01 -1.4603670000e+00  7.2396400000e-01  1.2737140000e+00 -7.7675900000e-01  1.9026230000e+00
-ENERGY -1.526565843290e+02
-FORCES -3.3450000000e-04 -3.6908000000e-03  2.7488000000e-03  1.0620000000e-03  1.4981000000e-03  3.3949000000e-03 -1.4524000000e-03  9.8130000000e-04 -7.4206000000e-03  6.3341000000e-03 -2.2041000000e-03  2.0177000000e-03 -2.2103000000e-03  4.4162000000e-03  1.3708000000e-03 -3.3988000000e-03 -1.0006000000e-03 -2.1116000000e-03
-
-JOB 56
-COORDS  6.5638000000e-01 -1.3312770000e+00  7.1047400000e-01  3.6832100000e-01 -9.4146400000e-01  1.5358830000e+00  1.6120510000e+00 -1.3287320000e+00  7.6448500000e-01 -7.0523700000e-01  1.3776030000e+00 -7.4990000000e-01 -4.5195000000e-02  9.8414700000e-01 -1.3206620000e+00 -1.1798410000e+00  6.3204000000e-01 -3.8231500000e-01
-ENERGY -1.526568211567e+02
-FORCES  3.8090000000e-03  2.1619000000e-03  4.4867000000e-03  4.7190000000e-04 -2.0882000000e-03 -3.8149000000e-03 -3.9685000000e-03 -1.4560000000e-04 -3.7630000000e-04  2.3248000000e-03 -7.7803000000e-03 -3.7870000000e-04 -2.3408000000e-03  3.3760000000e-03  6.6590000000e-04 -2.9650000000e-04  4.4761000000e-03 -5.8280000000e-04
-
-JOB 57
-COORDS -1.3030590000e+00  4.6784300000e-01  9.3182400000e-01 -1.6434860000e+00  6.1694100000e-01  4.9718000000e-02 -1.2266110000e+00  1.3435160000e+00  1.3107490000e+00  1.3586960000e+00 -5.4680400000e-01 -9.5120700000e-01  1.5071270000e+00  1.7018500000e-01 -3.3466300000e-01  4.8811700000e-01 -8.7738800000e-01 -7.2976100000e-01
-ENERGY -1.526569267603e+02
-FORCES -3.0183000000e-03  5.4126000000e-03 -7.9270000000e-04  2.8392000000e-03 -1.7510000000e-03  3.7632000000e-03  5.3500000000e-05 -3.8787000000e-03 -1.9171000000e-03 -4.1238000000e-03  1.4175000000e-03  6.4417000000e-03  1.1969000000e-03 -1.6996000000e-03 -3.5327000000e-03  3.0524000000e-03  4.9920000000e-04 -3.9624000000e-03
-
-JOB 58
-COORDS -7.7279000000e-02 -1.6671460000e+00 -6.4625000000e-02 -2.3678000000e-02 -2.0192520000e+00 -9.5309600000e-01  6.5422300000e-01 -2.0743240000e+00  3.9942600000e-01  4.3267000000e-02  1.7566170000e+00  3.5253000000e-02 -7.3182000000e-02  1.9563700000e+00  9.6410700000e-01 -1.7049000000e-02  8.0261400000e-01 -1.4459000000e-02
-ENERGY -1.526599121183e+02
-FORCES  3.0927000000e-03 -6.2689000000e-03 -2.1890000000e-03  5.4100000000e-05  1.5551000000e-03  4.2858000000e-03 -3.3772000000e-03  2.0013000000e-03 -2.1550000000e-03 -1.4197000000e-03 -5.6873000000e-03  3.1817000000e-03  7.1230000000e-04 -4.3650000000e-04 -3.0976000000e-03  9.3780000000e-04  8.8364000000e-03 -2.5900000000e-05
-
-JOB 59
-COORDS  6.3157800000e-01  1.0378010000e+00 -1.2712700000e+00  6.9391000000e-01  5.6805900000e-01 -2.1029480000e+00 -2.8200700000e-01  9.3425500000e-01 -1.0050490000e+00 -5.7131500000e-01 -9.4680900000e-01  1.2734080000e+00 -1.2070520000e+00 -1.6284680000e+00  1.0556640000e+00 -1.2411800000e-01 -1.2759430000e+00  2.0530990000e+00
-ENERGY -1.526546548695e+02
-FORCES -4.0918000000e-03 -3.8525000000e-03  2.8450000000e-04 -2.0230000000e-04  1.7959000000e-03  2.9612000000e-03  3.1259000000e-03  2.0679000000e-03 -3.7111000000e-03  1.0095000000e-03 -4.2636000000e-03  3.4123000000e-03  2.5528000000e-03  3.3603000000e-03  1.3460000000e-04 -2.3940000000e-03  8.9210000000e-04 -3.0815000000e-03
-
-JOB 60
-COORDS -6.6293600000e-01 -1.6730000000e-02  1.6734610000e+00  2.5140400000e-01 -2.9968200000e-01  1.6858410000e+00 -1.1449000000e+00 -7.4517700000e-01  2.0650070000e+00  6.0627700000e-01  5.9560000000e-02 -1.7509920000e+00  1.5480580000e+00  8.4780000000e-03 -1.5876820000e+00  2.3559500000e-01  3.6703700000e-01 -9.2377600000e-01
-ENERGY -1.526563454046e+02
-FORCES  1.1350000000e-04 -5.5608000000e-03  3.7115000000e-03 -3.7392000000e-03  2.1318000000e-03 -1.7955000000e-03  2.4131000000e-03  3.2982000000e-03 -1.0683000000e-03  5.8880000000e-04  1.7452000000e-03  4.2662000000e-03 -3.7099000000e-03 -1.5980000000e-04  2.4600000000e-05  4.3338000000e-03 -1.4545000000e-03 -5.1385000000e-03
-
-JOB 61
-COORDS  7.2083100000e-01 -5.8578400000e-01 -1.5681190000e+00  1.1400620000e+00 -2.4125500000e-01 -2.3566480000e+00 -1.7501400000e-01 -2.5081700000e-01 -1.6067280000e+00 -7.4315200000e-01  5.1876800000e-01  1.6422520000e+00 -4.2092000000e-02  4.9565000000e-02  1.1899300000e+00 -4.7312700000e-01  1.4367280000e+00  1.6164080000e+00
-ENERGY -1.526573822543e+02
-FORCES -1.9650000000e-03  2.0476000000e-03 -5.2757000000e-03 -2.0328000000e-03 -1.3170000000e-03  3.2160000000e-03  4.8990000000e-03 -1.2078000000e-03  5.7960000000e-04  5.3861000000e-03  1.1966000000e-03 -1.4133000000e-03 -4.7703000000e-03  2.6771000000e-03  2.9550000000e-03 -1.5171000000e-03 -3.3965000000e-03 -6.1500000000e-05
-
-JOB 62
-COORDS -1.6196530000e+00  4.2300000000e-02  9.7265800000e-01 -1.1485300000e+00 -5.2837800000e-01  1.5797830000e+00 -1.9013760000e+00 -5.3911900000e-01  2.6638900000e-01  1.5632420000e+00  4.1507000000e-02 -9.2299800000e-01  1.6511620000e+00 -7.8350300000e-01 -1.4003450000e+00  2.3000880000e+00  5.7291300000e-01 -1.2244890000e+00
-ENERGY -1.526531549363e+02
-FORCES  3.0211000000e-03 -4.2303000000e-03 -1.5203000000e-03 -2.8000000000e-03  1.8549000000e-03 -1.7434000000e-03  2.0790000000e-04  1.8293000000e-03  2.9984000000e-03  3.5810000000e-03 -2.2260000000e-04 -3.3720000000e-03 -9.3730000000e-04  3.1543000000e-03  2.3391000000e-03 -3.0728000000e-03 -2.3855000000e-03  1.2983000000e-03
-
-JOB 63
-COORDS  8.2860000000e-02  3.0883400000e-01 -1.9159840000e+00  4.2756600000e-01 -4.7132700000e-01 -2.3504470000e+00 -8.6270000000e-01  2.6463200000e-01 -2.0580890000e+00 -8.2767000000e-02 -2.0506500000e-01  1.9307780000e+00  6.8957900000e-01 -1.6519500000e-01  2.4948040000e+00 -1.8190100000e-01 -1.1346030000e+00  1.7249550000e+00
-ENERGY -1.526528801822e+02
-FORCES -2.8890000000e-03 -2.7694000000e-03 -1.5955000000e-03 -1.2720000000e-03  2.9628000000e-03  2.0639000000e-03  3.9311000000e-03 -8.5600000000e-05  6.7500000000e-05  3.4472000000e-03 -3.2103000000e-03  2.6470000000e-04 -3.2170000000e-03 -2.7600000000e-04 -2.0086000000e-03 -3.0000000000e-07  3.3786000000e-03  1.2081000000e-03
-
-JOB 64
-COORDS -1.3326400000e-01  1.6164340000e+00 -1.1606660000e+00  5.5730400000e-01  2.1499020000e+00 -1.5540620000e+00 -2.8876000000e-02  1.7458370000e+00 -2.1801600000e-01  6.1843000000e-02 -1.6298630000e+00  1.0811620000e+00 -3.5124400000e-01 -2.0262760000e+00  1.8482660000e+00  9.9770400000e-01 -1.6369070000e+00  1.2820270000e+00
-ENERGY -1.526536339413e+02
-FORCES  2.7688000000e-03  1.6303000000e-03  2.9617000000e-03 -2.6485000000e-03 -2.3076000000e-03  1.5864000000e-03 -6.6000000000e-05  9.0360000000e-04 -4.1759000000e-03  2.1484000000e-03 -2.5876000000e-03  3.4412000000e-03  1.7287000000e-03  1.9042000000e-03 -3.2443000000e-03 -3.9314000000e-03  4.5710000000e-04 -5.6900000000e-04
-
-JOB 65
-COORDS -1.8905090000e+00  8.0526400000e-01 -6.5862000000e-01 -2.2314560000e+00  1.2456200000e-01 -7.8421000000e-02 -9.9759900000e-01  5.2462900000e-01 -8.5908700000e-01  1.7909070000e+00 -7.7099800000e-01  6.4395500000e-01  2.1570410000e+00  1.0771500000e-01  5.4375300000e-01  2.5526800000e+00 -1.3505610000e+00  6.3753700000e-01
-ENERGY -1.526561355352e+02
-FORCES  2.9254000000e-03 -4.8614000000e-03  2.0561000000e-03  5.1990000000e-04  2.9432000000e-03 -2.4310000000e-03 -4.0970000000e-03  2.4369000000e-03  1.6300000000e-05  5.7137000000e-03  7.2920000000e-04  3.9510000000e-04 -1.9713000000e-03 -3.8302000000e-03 -1.3400000000e-04 -3.0908000000e-03  2.5823000000e-03  9.7600000000e-05
-
-JOB 66
-COORDS  1.5447100000e+00 -1.4385340000e+00  8.8157000000e-02  1.8863610000e+00 -2.3277150000e+00 -5.9810000000e-03  5.9434100000e-01 -1.5485690000e+00  1.1855500000e-01 -1.4538620000e+00  1.5272900000e+00 -1.1347700000e-01 -2.3619770000e+00  1.6647580000e+00 -3.8303200000e-01 -1.5106960000e+00  9.0856100000e-01  6.1465500000e-01
-ENERGY -1.526532962463e+02
-FORCES -2.4596000000e-03 -3.8084000000e-03 -1.0403000000e-03 -1.3972000000e-03  3.7220000000e-03  4.0580000000e-04  3.6303000000e-03  1.7950000000e-04  9.0370000000e-04 -3.8657000000e-03 -1.0412000000e-03  2.1521000000e-03  3.8906000000e-03 -7.0350000000e-04  1.0936000000e-03  2.0150000000e-04  1.6517000000e-03 -3.5149000000e-03
-
-JOB 67
-COORDS -7.3205100000e-01 -1.9600300000e+00 -5.3399900000e-01 -1.7000800000e-01 -1.6685940000e+00  1.8391800000e-01 -1.6110800000e+00 -1.9843800000e+00 -1.5591500000e-01  7.4401200000e-01  1.9017830000e+00  4.1100400000e-01  2.9844700000e-01  1.7995870000e+00  1.2519920000e+00  1.2712610000e+00  2.6940830000e+00  5.1347600000e-01
-ENERGY -1.526537443902e+02
-FORCES -6.5110000000e-04  2.1128000000e-03  4.0094000000e-03 -2.8644000000e-03 -2.1526000000e-03 -2.2466000000e-03  3.4765000000e-03  2.2800000000e-05 -1.3358000000e-03  4.7760000000e-04  3.7454000000e-03  3.3483000000e-03  1.8538000000e-03 -4.0690000000e-04 -3.4209000000e-03 -2.2924000000e-03 -3.3215000000e-03 -3.5440000000e-04
-
-JOB 68
-COORDS  1.0589840000e+00  1.8949090000e+00 -3.2896400000e-01  1.9434770000e+00  1.6477320000e+00 -5.9134000000e-02  5.6721400000e-01  1.0737370000e+00 -3.2052300000e-01 -1.0511700000e+00 -1.7876600000e+00  2.6471600000e-01 -1.2371260000e+00 -2.7265490000e+00  2.7655500000e-01 -1.4059300000e+00 -1.4622960000e+00  1.0920710000e+00
-ENERGY -1.526562861376e+02
-FORCES  1.2489000000e-03 -5.2835000000e-03  5.5600000000e-04 -3.2787000000e-03  1.2781000000e-03 -9.0040000000e-04  2.4645000000e-03  4.9999000000e-03  4.8870000000e-04 -3.0305000000e-03 -3.7784000000e-03  3.2471000000e-03  6.2640000000e-04  3.8974000000e-03  2.5950000000e-04  1.9694000000e-03 -1.1135000000e-03 -3.6509000000e-03
-
-JOB 69
-COORDS -3.9857700000e-01 -1.9050480000e+00 -1.1287130000e+00 -1.0136050000e+00 -2.4510480000e+00 -6.3896200000e-01  6.0696000000e-02 -1.3998780000e+00 -4.5781600000e-01  3.5316600000e-01  1.9027590000e+00  1.0210780000e+00  1.1876760000e+00  1.4793730000e+00  8.1965900000e-01  4.9979800000e-01  2.3337830000e+00  1.8630690000e+00
-ENERGY -1.526542444853e+02
-FORCES -1.4673000000e-03  6.7150000000e-04  5.0342000000e-03  2.5968000000e-03  1.8456000000e-03 -2.0881000000e-03 -7.0090000000e-04 -2.7153000000e-03 -2.9588000000e-03  4.1986000000e-03  1.4663000000e-03  2.6873000000e-03 -4.0071000000e-03  6.4500000000e-04  9.0460000000e-04 -6.2010000000e-04 -1.9132000000e-03 -3.5792000000e-03
-
-JOB 70
-COORDS -4.3439100000e-01  1.2010610000e+00  1.7440180000e+00 -4.6254100000e-01  2.1420740000e+00  1.9170280000e+00 -5.5442000000e-02  8.2243500000e-01  2.5372850000e+00  3.6674900000e-01 -1.1916310000e+00 -1.7787580000e+00  6.6800400000e-01 -1.2784600000e+00 -2.6831580000e+00  8.9152500000e-01 -1.8249770000e+00 -1.2891520000e+00
-ENERGY -1.526527589126e+02
-FORCES  1.4050000000e-03  2.4079000000e-03  3.4694000000e-03  7.1600000000e-05 -3.8563000000e-03 -6.0610000000e-04 -1.4715000000e-03  1.3529000000e-03 -3.2851000000e-03  3.3378000000e-03 -2.6598000000e-03 -1.0448000000e-03 -1.3142000000e-03  4.8420000000e-04  3.6747000000e-03 -2.0287000000e-03  2.2711000000e-03 -2.2081000000e-03
-
-JOB 71
-COORDS  1.1156500000e-01  1.5913000000e-01 -2.2839730000e+00  3.4050800000e-01  1.0136040000e+00 -1.9183340000e+00  3.2630100000e-01 -4.6419800000e-01 -1.5900110000e+00 -1.2969000000e-01 -1.5680000000e-01  2.2832580000e+00 -4.4262700000e-01  3.8754300000e-01  1.5607670000e+00  2.5055000000e-02 -1.0146660000e+00  1.8878440000e+00
-ENERGY -1.526533030386e+02
-FORCES  2.6669000000e-03  1.0744000000e-03  3.2165000000e-03 -1.4773000000e-03 -3.9026000000e-03 -1.0228000000e-03 -1.5875000000e-03  2.7546000000e-03 -2.1141000000e-03 -1.5350000000e-03 -1.4692000000e-03 -3.6203000000e-03  2.2165000000e-03 -2.4218000000e-03  2.5472000000e-03 -2.8360000000e-04  3.9646000000e-03  9.9360000000e-04
-
-JOB 72
-COORDS  1.1247910000e+00 -7.0684000000e-02  2.0416690000e+00  3.8219100000e-01 -1.0831200000e-01  1.4388740000e+00  1.6962720000e+00  6.0484400000e-01  1.6765620000e+00 -1.1720950000e+00  6.5785000000e-02 -2.0291900000e+00 -1.2317950000e+00 -3.1866700000e-01 -1.1546250000e+00 -2.4820400000e-01 -1.7301000000e-02 -2.2653110000e+00
-ENERGY -1.526531101297e+02
-FORCES -5.0410000000e-04  3.3525000000e-03 -3.2198000000e-03  2.8188000000e-03 -5.5850000000e-04  1.5832000000e-03 -2.4277000000e-03 -3.1751000000e-03  1.3423000000e-03  3.0558000000e-03 -2.6232000000e-03  1.4780000000e-03  9.9820000000e-04  2.3250000000e-03 -2.7548000000e-03 -3.9410000000e-03  6.7930000000e-04  1.5711000000e-03
-
-JOB 73
-COORDS -3.2043000000e-02 -2.2879430000e+00 -1.2328500000e-01  1.1494500000e-01 -2.9197510000e+00 -8.2716300000e-01 -9.8205100000e-01 -2.1735970000e+00 -9.7952000000e-02  1.0330400000e-01  2.2841480000e+00  2.1719300000e-01  1.7948800000e-01  3.2251710000e+00  5.9385000000e-02 -4.3026100000e-01  1.9614450000e+00 -5.0903300000e-01
-ENERGY -1.526534241178e+02
-FORCES -3.1138000000e-03 -2.2817000000e-03 -2.2726000000e-03 -6.2600000000e-04  2.7225000000e-03  2.8474000000e-03  3.8678000000e-03 -2.9860000000e-04 -4.7390000000e-04 -1.5169000000e-03  1.9802000000e-03 -3.7569000000e-03 -2.8890000000e-04 -3.8667000000e-03  6.8480000000e-04  1.6778000000e-03  1.7444000000e-03  2.9713000000e-03
-
-JOB 74
-COORDS  1.4549000000e-01 -1.9343130000e+00  1.4862000000e+00  5.9280300000e-01 -1.4040050000e+00  8.2671900000e-01  3.2751000000e-01 -1.4907560000e+00  2.3146670000e+00 -2.2728000000e-01  1.8542100000e+00 -1.4620480000e+00  6.2627200000e-01  2.1812090000e+00 -1.1778800000e+00 -2.4237300000e-01  2.0115200000e+00 -2.4061130000e+00
-ENERGY -1.526543337777e+02
-FORCES  1.8710000000e-03  4.5470000000e-03  1.3240000000e-04 -1.0049000000e-03 -2.6864000000e-03  3.1936000000e-03 -5.0620000000e-04 -1.8949000000e-03 -3.1852000000e-03  2.8359000000e-03  2.5627000000e-03 -3.3372000000e-03 -3.3970000000e-03 -1.9338000000e-03 -8.1020000000e-04  2.0120000000e-04 -5.9470000000e-04  4.0066000000e-03
-
-JOB 75
-COORDS  3.5047600000e-01 -9.1427300000e-01  2.3408590000e+00  9.7227600000e-01 -1.5402330000e+00  1.9696840000e+00  1.6493800000e-01 -1.2513190000e+00  3.2173330000e+00 -3.5168900000e-01  9.4178700000e-01 -2.3141130000e+00 -1.2302900000e+00  8.7350200000e-01 -2.6877840000e+00  1.1320500000e-01  1.5378060000e+00 -2.9013670000e+00
-ENERGY -1.526534979064e+02
-FORCES  1.8965000000e-03 -3.8517000000e-03  1.4298000000e-03 -2.4623000000e-03  2.3713000000e-03  1.9464000000e-03  6.6810000000e-04  1.4441000000e-03 -3.5461000000e-03 -1.9236000000e-03  2.2981000000e-03 -3.4871000000e-03  3.6465000000e-03  2.5300000000e-04  1.3132000000e-03 -1.8252000000e-03 -2.5149000000e-03  2.3437000000e-03
-
-JOB 76
-COORDS -8.9595100000e-01  2.4823330000e+00  3.5241000000e-02 -1.5540710000e+00  1.9994330000e+00 -4.6467600000e-01 -1.3370100000e-01  2.5174680000e+00 -5.4266300000e-01  9.0101000000e-01 -2.5229650000e+00  3.2326000000e-02  1.2210980000e+00 -1.9500020000e+00 -6.6444400000e-01  4.1481600000e-01 -1.9414400000e+00  6.1685700000e-01
-ENERGY -1.526541999241e+02
-FORCES -1.8000000000e-05 -8.1340000000e-04 -4.6173000000e-03  3.0807000000e-03  1.6385000000e-03  2.2361000000e-03 -3.0650000000e-03 -6.8800000000e-04  2.5230000000e-03 -5.3310000000e-04  4.7373000000e-03  2.9900000000e-05 -1.4226000000e-03 -2.2376000000e-03  2.5881000000e-03  1.9580000000e-03 -2.6368000000e-03 -2.7597000000e-03
-
-JOB 77
-COORDS -5.4793900000e-01  2.2151880000e+00  1.3003880000e+00 -1.4374140000e+00  2.5552730000e+00  1.3973770000e+00  1.6745000000e-02  2.9404060000e+00  1.5676390000e+00  5.8478600000e-01 -2.2997920000e+00 -1.2685740000e+00  4.3257600000e-01 -1.3634310000e+00 -1.3962140000e+00  3.7001800000e-01 -2.6951970000e+00 -2.1134190000e+00
-ENERGY -1.526545212780e+02
-FORCES -1.3312000000e-03  4.3544000000e-03  2.0190000000e-03  3.6752000000e-03 -1.3405000000e-03 -5.5460000000e-04 -2.3731000000e-03 -2.9260000000e-03 -1.2194000000e-03 -1.5956000000e-03  2.7480000000e-03 -3.4748000000e-03  7.6770000000e-04 -4.3522000000e-03 -1.2640000000e-04  8.5690000000e-04  1.5164000000e-03  3.3562000000e-03
-
-JOB 78
-COORDS  3.3539000000e-01  2.9176820000e+00  1.4485100000e+00  2.4745600000e-01  3.6061630000e+00  7.8934900000e-01  1.1322510000e+00  2.4487210000e+00  1.2008820000e+00 -4.1854600000e-01 -2.8951380000e+00 -1.3599220000e+00 -4.9745800000e-01 -3.7826650000e+00 -1.7096380000e+00  4.2155300000e-01 -2.5797350000e+00 -1.6930690000e+00
-ENERGY -1.526537631792e+02
-FORCES  2.6947000000e-03  6.7370000000e-04 -3.7450000000e-03  4.3110000000e-04 -2.7497000000e-03  2.7022000000e-03 -3.1048000000e-03  2.0118000000e-03  9.8750000000e-04  2.9888000000e-03 -2.4050000000e-03 -2.7217000000e-03  3.4330000000e-04  3.6540000000e-03  1.4143000000e-03 -3.3531000000e-03 -1.1847000000e-03  1.3626000000e-03
-
-JOB 79
-COORDS  1.7408340000e+00  1.6978030000e+00  2.5756980000e+00  1.8400670000e+00  1.9526760000e+00  3.4929900000e+00  7.9956100000e-01  1.7545520000e+00  2.4113290000e+00 -1.6932710000e+00 -1.6453490000e+00 -2.6151820000e+00 -1.8883800000e+00 -2.3041030000e+00 -1.9486920000e+00 -1.4806540000e+00 -2.1523670000e+00 -3.3987380000e+00
-ENERGY -1.526540922318e+02
-FORCES -3.5305000000e-03  1.3210000000e-03  2.8442000000e-03 -3.7850000000e-04 -1.0707000000e-03 -3.7047000000e-03  3.8828000000e-03 -2.3830000000e-04  8.8290000000e-04  2.8450000000e-04 -4.7873000000e-03 -5.2560000000e-04  6.8710000000e-04  2.7268000000e-03 -2.6789000000e-03 -9.4540000000e-04  2.0484000000e-03  3.1821000000e-03
-
-JOB 80
-COORDS  7.4246700000e-01  1.9319900000e+00  2.9809730000e+00 -7.4135000000e-02  1.9509510000e+00  2.4819400000e+00  8.7790300000e-01  1.0065370000e+00  3.1845080000e+00 -6.7707800000e-01 -1.8315200000e+00 -2.9915520000e+00 -6.9576800000e-01 -2.7495870000e+00 -3.2618010000e+00 -1.1535120000e+00 -1.8159460000e+00 -2.1614920000e+00
-ENERGY -1.526538609651e+02
-FORCES -2.6547000000e-03 -3.6046000000e-03 -1.3232000000e-03  3.2619000000e-03 -1.7610000000e-04  2.1064000000e-03 -6.4250000000e-04  3.7336000000e-03 -8.0760000000e-04 -1.9999000000e-03 -3.7685000000e-03  2.0793000000e-03  6.3500000000e-05  3.7818000000e-03  1.1685000000e-03  1.9718000000e-03  3.3800000000e-05 -3.2234000000e-03
-
-JOB 81
-COORDS -3.8517400000e-01  3.6164450000e+00 -1.3522780000e+00  3.4539200000e-01  3.2356780000e+00 -8.6491600000e-01 -1.1660600000e+00  3.3193390000e+00 -8.8518200000e-01  3.8966900000e-01 -3.6396570000e+00  1.2700620000e+00 -3.6665100000e-01 -3.1199210000e+00  1.5422500000e+00  1.1456310000e+00 -3.0907860000e+00  1.4786170000e+00
-ENERGY -1.526538015287e+02
-FORCES -2.2500000000e-04 -2.6823000000e-03  3.7673000000e-03 -3.0121000000e-03  1.4834000000e-03 -1.9051000000e-03  3.2436000000e-03  1.1514000000e-03 -1.8346000000e-03  2.3300000000e-05  4.1689000000e-03  1.9861000000e-03  3.1228000000e-03 -1.9950000000e-03 -1.1410000000e-03 -3.1526000000e-03 -2.1264000000e-03 -8.7270000000e-04
-
-JOB 82
-COORDS  1.2152500000e-01 -3.6141790000e+00  1.5365080000e+00  8.0033900000e-01 -3.7322020000e+00  8.7204300000e-01  5.6797400000e-01 -3.7774830000e+00  2.3673190000e+00 -2.1696600000e-01  3.6585220000e+00 -1.6023020000e+00 -9.7352000000e-02  2.7197170000e+00 -1.4588810000e+00  1.9706500000e-01  4.0717140000e+00 -8.4462000000e-01
-ENERGY -1.526541613852e+02
-FORCES  4.5372000000e-03 -1.4128000000e-03  7.3350000000e-04 -2.7690000000e-03  6.3940000000e-04  2.7051000000e-03 -1.8036000000e-03  7.5320000000e-04 -3.4218000000e-03  2.0244000000e-03 -2.2364000000e-03  3.7558000000e-03 -3.6490000000e-04  3.8957000000e-03 -6.6210000000e-04 -1.6241000000e-03 -1.6390000000e-03 -3.1104000000e-03
-
-JOB 83
-COORDS -8.4341000000e-02  1.0107060000e+00  3.9343880000e+00  5.4733500000e-01  3.6534300000e-01  4.2517580000e+00 -9.2845700000e-01  7.0265000000e-01  4.2642380000e+00  6.2105000000e-02 -9.5212600000e-01 -4.0286500000e+00  4.8546700000e-01 -2.3051600000e-01 -3.5635960000e+00  2.3812100000e-01 -1.7221590000e+00 -3.4880040000e+00
-ENERGY -1.526541915780e+02
-FORCES -9.4590000000e-04 -3.8023000000e-03  2.8098000000e-03 -2.5552000000e-03  2.6023000000e-03 -1.4023000000e-03  3.4863000000e-03  1.2223000000e-03 -1.3867000000e-03  2.4208000000e-03 -7.6400000000e-05  4.1984000000e-03 -1.6915000000e-03 -3.0023000000e-03 -1.9837000000e-03 -7.1450000000e-04  3.0564000000e-03 -2.2356000000e-03
-
-JOB 84
-COORDS -1.0912480000e+00  4.3810020000e+00 -6.6879700000e-01 -7.1294600000e-01  3.5252250000e+00 -8.7070100000e-01 -1.2907340000e+00  4.7629060000e+00 -1.5235410000e+00  1.0862540000e+00 -4.3855590000e+00  6.6421100000e-01  4.1476700000e-01 -4.5765710000e+00  1.3190780000e+00  1.6540770000e+00 -3.7394310000e+00  1.0841250000e+00
-ENERGY -1.526541677117e+02
-FORCES  7.0330000000e-04 -1.9294000000e-03 -4.3812000000e-03 -1.5209000000e-03  3.4931000000e-03  8.9070000000e-04  8.1700000000e-04 -1.5442000000e-03  3.4999000000e-03 -4.0880000000e-04  1.7673000000e-03  4.4670000000e-03  2.7397000000e-03  8.0080000000e-04 -2.7019000000e-03 -2.3303000000e-03 -2.5876000000e-03 -1.7744000000e-03
-
-JOB 85
-COORDS -7.6087600000e-01  2.2294320000e+00 -4.1219860000e+00 -1.5996610000e+00  2.2803250000e+00 -3.6636400000e+00 -2.3716000000e-01  1.6237350000e+00 -3.5975000000e+00  7.5679900000e-01 -2.2600340000e+00  4.0894030000e+00  2.9594900000e-01 -1.4248690000e+00  4.1690760000e+00  1.5674290000e+00 -2.0438160000e+00  3.6285770000e+00
-ENERGY -1.526540000073e+02
-FORCES -1.3452000000e-03 -2.3087000000e-03  3.9185000000e-03  3.4628000000e-03 -1.8940000000e-04 -1.8266000000e-03 -2.1052000000e-03  2.5079000000e-03 -2.0767000000e-03  1.4976000000e-03  4.2564000000e-03 -1.4013000000e-03  1.8569000000e-03 -3.4062000000e-03 -4.2140000000e-04 -3.3669000000e-03 -8.6000000000e-04  1.8074000000e-03
-
-JOB 86
-COORDS -3.3179270000e+00 -1.0965000000e+00  3.8036110000e+00 -4.2157010000e+00 -1.4251610000e+00  3.7565310000e+00 -2.7750480000e+00 -1.8450610000e+00  3.5562840000e+00  3.3748340000e+00  1.2033640000e+00 -3.7795370000e+00  2.4203160000e+00  1.1509630000e+00 -3.8283190000e+00  3.6711150000e+00  3.0098100000e-01 -3.8985130000e+00
-ENERGY -1.526540300306e+02
-FORCES -1.4520000000e-03 -4.3855000000e-03 -1.1278000000e-03  3.6738000000e-03  1.3382000000e-03  1.6300000000e-04 -2.2164000000e-03  3.0539000000e-03  9.6330000000e-04 -2.7066000000e-03 -3.8521000000e-03 -6.4540000000e-04  3.9084000000e-03  1.8150000000e-04  1.6790000000e-04 -1.2071000000e-03  3.6639000000e-03  4.7900000000e-04
-
-JOB 87
-COORDS  3.7381590000e+00  1.8795000000e+00  3.5134520000e+00  4.0531890000e+00  2.4403590000e+00  2.8046320000e+00  2.9991190000e+00  2.3586680000e+00  3.8882190000e+00 -3.7169100000e+00 -1.9296550000e+00 -3.5619540000e+00 -3.6853090000e+00 -2.7149180000e+00 -3.0155150000e+00 -3.7122460000e+00 -1.2032090000e+00 -2.9386670000e+00
-ENERGY -1.526540869656e+02
-FORCES -1.6572000000e-03  4.2756000000e-03 -1.3480000000e-03 -1.3176000000e-03 -2.2986000000e-03  2.8937000000e-03  2.9787000000e-03 -1.9808000000e-03 -1.5447000000e-03  1.7380000000e-04 -2.8180000000e-04  4.7836000000e-03 -1.4890000000e-04  3.2165000000e-03 -2.2357000000e-03 -2.8700000000e-05 -2.9309000000e-03 -2.5490000000e-03
-
-JOB 88
-COORDS -5.5603180000e+00  6.2179090000e+00  1.1431440000e+00 -4.8437320000e+00  6.5029030000e+00  5.7612100000e-01 -6.3505080000e+00  6.3639130000e+00  6.2303400000e-01  5.5920300000e+00 -6.2975310000e+00 -1.0549990000e+00  4.6667380000e+00 -6.1069450000e+00 -1.2090930000e+00  6.0561750000e+00 -5.5435850000e+00 -1.4188220000e+00
-ENERGY -1.526540697207e+02
-FORCES -3.1490000000e-04  1.7755000000e-03 -4.4241000000e-03 -2.9157000000e-03 -1.1743000000e-03  2.3087000000e-03  3.2306000000e-03 -6.0200000000e-04  2.1168000000e-03 -1.8873000000e-03  3.8549000000e-03 -2.0972000000e-03  3.7783000000e-03 -7.7810000000e-04  6.1890000000e-04 -1.8910000000e-03 -3.0760000000e-03  1.4769000000e-03
-
-JOB 89
-COORDS -1.3801464000e+01  3.0351700000e-01 -1.4926620000e+00 -1.3251499000e+01  9.3644200000e-01 -1.0309500000e+00 -1.3427574000e+01 -5.4843300000e-01 -1.2676770000e+00  1.3701571000e+01 -2.6854000000e-01  1.4934870000e+00  1.4493923000e+01 -7.5190400000e-01  1.7275130000e+00  1.3745868000e+01 -1.8171100000e-01  5.4126300000e-01
-ENERGY -1.526540801287e+02
-FORCES  3.7710000000e-03 -8.9250000000e-04  2.8027000000e-03 -2.2448000000e-03 -2.5818000000e-03 -1.8841000000e-03 -1.5266000000e-03  3.4742000000e-03 -9.1870000000e-04  3.4169000000e-03 -1.6162000000e-03 -2.9296000000e-03 -3.2336000000e-03  1.9710000000e-03 -9.5460000000e-04 -1.8300000000e-04 -3.5480000000e-04  3.8843000000e-03
-
-JOB 0
-COORDS -7.7376200000e-01 -7.6355900000e-01 -7.6935000000e-01 -2.1819900000e-01 -2.9544700000e-01 -1.4609000000e-01 -8.5884200000e-01 -1.6431340000e+00 -4.0146100000e-01  7.2974800000e-01  7.2711400000e-01  6.7896500000e-01  1.2521800000e-01  1.4490680000e+00  8.5088800000e-01  1.5696960000e+00  1.0301510000e+00  1.0237670000e+00
-ENERGY -1.526567244675e+02
-FORCES  1.2835500000e-02  7.8869000000e-03  1.0625900000e-02 -7.7239000000e-03  1.1257000000e-03 -9.0260000000e-04  1.5064000000e-03  2.8609000000e-03  3.7100000000e-05 -5.1385000000e-03 -7.9265000000e-03 -8.1249000000e-03  3.7540000000e-03 -4.9170000000e-03 -1.0742000000e-03 -5.2336000000e-03  9.7010000000e-04 -5.6130000000e-04
-
-JOB 1
-COORDS  3.7360000000e-02  1.0401630000e+00 -7.2127500000e-01 -8.2868100000e-01  1.2887990000e+00 -1.0443610000e+00  2.8165200000e-01  1.7456180000e+00 -1.2220500000e-01  4.9303000000e-02 -1.1164620000e+00  7.3587800000e-01  3.9913000000e-02 -4.8689400000e-01  1.4915000000e-02 -8.7421300000e-01 -1.3076420000e+00  8.9958500000e-01
-ENERGY -1.526571743463e+02
-FORCES -8.3490000000e-04 -5.8843000000e-03  1.0344400000e-02  3.9957000000e-03 -2.1894000000e-03  3.2662000000e-03 -2.5082000000e-03 -2.4458000000e-03 -4.3132000000e-03 -1.7998000000e-03  1.6457100000e-02 -1.1906100000e-02 -9.2890000000e-04 -7.9391000000e-03  4.0137000000e-03  2.0762000000e-03  2.0015000000e-03 -1.4050000000e-03
-
-JOB 2
-COORDS -1.0226100000e+00  8.7400200000e-01 -7.2037000000e-02 -1.5445670000e+00  6.4683400000e-01 -8.4157500000e-01 -1.3550100000e-01  5.8887400000e-01 -2.9105900000e-01  9.4899600000e-01 -8.7043000000e-01  1.1533100000e-01  1.6035440000e+00 -4.2538500000e-01 -4.2293800000e-01  1.2540060000e+00 -7.4788400000e-01  1.0143210000e+00
-ENERGY -1.526522037959e+02
-FORCES  1.0447800000e-02 -1.4151800000e-02 -5.7250000000e-04  2.5476000000e-03  4.5000000000e-04  2.0929000000e-03  1.0649000000e-03  7.9026000000e-03 -3.3084000000e-03 -4.2855000000e-03  3.8578000000e-03  4.9912000000e-03 -9.0064000000e-03  2.1283000000e-03  2.3077000000e-03 -7.6840000000e-04 -1.8680000000e-04 -5.5111000000e-03
-
-JOB 3
-COORDS -5.8568500000e-01 -9.3361900000e-01 -6.2547800000e-01 -7.9202900000e-01 -1.8380710000e+00 -3.8963700000e-01 -4.2723700000e-01 -9.6182600000e-01 -1.5690510000e+00  5.8854300000e-01  1.0135310000e+00  7.3741700000e-01  1.2416000000e-01  2.7431500000e-01  3.4481200000e-01  1.0685170000e+00  1.4091710000e+00  9.8690000000e-03
-ENERGY -1.526583634151e+02
-FORCES  5.0677000000e-03  4.9462000000e-03  3.2672000000e-03  1.0450000000e-03  4.3349000000e-03 -2.7637000000e-03 -7.5880000000e-04 -9.1470000000e-04  4.7896000000e-03 -6.7581000000e-03 -1.2552400000e-02 -1.0607400000e-02  2.9306000000e-03  5.5757000000e-03  4.2783000000e-03 -1.5265000000e-03 -1.3895000000e-03  1.0361000000e-03
-
-JOB 4
-COORDS  7.8799000000e-02  6.3085700000e-01 -1.1511710000e+00  9.0968500000e-01  9.9406000000e-01 -8.4466900000e-01  2.8217200000e-01  2.5646900000e-01 -2.0083200000e+00 -1.8554700000e-01 -6.0740400000e-01  1.2374470000e+00  5.6589200000e-01 -1.1974010000e+00  1.2963950000e+00 -2.4870700000e-01 -3.9145200000e-01  3.0706700000e-01
-ENERGY -1.526592217619e+02
-FORCES  3.3763000000e-03  6.8800000000e-05  3.0219000000e-03 -4.1391000000e-03 -3.9014000000e-03 -2.2295000000e-03  3.0000000000e-06  1.3272000000e-03  5.4025000000e-03  1.0359000000e-03  3.7796000000e-03 -1.3933300000e-02 -1.5128000000e-03  2.7849000000e-03 -1.3407000000e-03  1.2367000000e-03 -4.0592000000e-03  9.0792000000e-03
-
-JOB 5
-COORDS -3.2380000000e-03 -8.1175300000e-01  1.0082070000e+00  5.5173900000e-01 -1.5894760000e+00  9.5008000000e-01 -2.0811400000e-01 -7.3221100000e-01  1.9398350000e+00 -4.5890000000e-03  8.2577600000e-01 -1.1181280000e+00  2.5644400000e-01  4.3465100000e-01 -2.8439300000e-01 -4.5747600000e-01  1.6327350000e+00 -8.7329700000e-01
-ENERGY -1.526583028461e+02
-FORCES -8.2800000000e-05  1.0563000000e-03 -2.7324000000e-03 -2.7426000000e-03  4.5375000000e-03  1.0926000000e-03  1.0639000000e-03 -9.8030000000e-04 -4.7423000000e-03 -1.8749000000e-03 -6.8869000000e-03  1.2834800000e-02  2.4329000000e-03  4.7996000000e-03 -6.6754000000e-03  1.2035000000e-03 -2.5262000000e-03  2.2270000000e-04
-
-JOB 6
-COORDS -9.4096700000e-01  3.1481900000e-01 -8.7171800000e-01 -1.6078320000e+00  8.5081500000e-01 -4.4249600000e-01 -5.8525900000e-01  8.7876800000e-01 -1.5584970000e+00  9.7363800000e-01 -4.4472400000e-01  9.1178100000e-01  1.3068910000e+00  3.9220300000e-01  1.2353970000e+00  4.5753500000e-01 -2.1491500000e-01  1.3908600000e-01
-ENERGY -1.526588902118e+02
-FORCES -3.3910000000e-04  2.0303000000e-03  4.5994000000e-03  3.6762000000e-03 -1.5719000000e-03 -3.4838000000e-03 -2.8260000000e-04 -2.7679000000e-03  5.6001000000e-03 -1.0391600000e-02  5.9154000000e-03 -9.4306000000e-03 -1.7011000000e-03 -1.8407000000e-03 -1.4872000000e-03  9.0383000000e-03 -1.7653000000e-03  4.2021000000e-03
-
-JOB 7
-COORDS  7.8168900000e-01  1.8793000000e-01 -1.0365870000e+00  4.1580300000e-01  1.9794000000e-02 -1.9049700000e+00  1.2771450000e+00  1.0006040000e+00 -1.1381610000e+00 -7.8151300000e-01 -2.6474800000e-01  1.1557710000e+00 -1.5347350000e+00  2.7990100000e-01  9.2719400000e-01 -1.8573700000e-01 -1.7472600000e-01  4.1201100000e-01
-ENERGY -1.526603135343e+02
-FORCES -2.6788000000e-03  1.3217000000e-03  1.9112000000e-03  1.9501000000e-03  2.2218000000e-03  4.2485000000e-03 -3.0601000000e-03 -4.0589000000e-03 -1.0023000000e-03  6.9146000000e-03  4.0715000000e-03 -1.2669600000e-02  1.9470000000e-03 -1.3509000000e-03  1.7440000000e-04 -5.0728000000e-03 -2.2051000000e-03  7.3379000000e-03
-
-JOB 8
-COORDS -1.1391700000e+00  7.4126300000e-01 -3.9898900000e-01 -1.6842680000e+00  1.4304800000e-01  1.1212700000e-01 -2.4881100000e-01  5.8130800000e-01 -8.6085000000e-02  1.1054140000e+00 -7.0614900000e-01  2.9010300000e-01  6.7785100000e-01 -1.1065580000e+00  1.0471340000e+00  1.7930430000e+00 -1.5638300000e-01  6.6580800000e-01
-ENERGY -1.526558685505e+02
-FORCES  1.1146900000e-02 -1.0212400000e-02  3.6022000000e-03  1.6624000000e-03  1.4797000000e-03 -6.9940000000e-04 -5.5682000000e-03  7.0668000000e-03  1.4230000000e-03 -1.3801000000e-03 -1.3873000000e-03  2.6809000000e-03  4.4710000000e-04  4.1193000000e-03 -4.4535000000e-03 -6.3081000000e-03 -1.0660000000e-03 -2.5533000000e-03
-
-JOB 9
-COORDS  1.2285060000e+00 -5.3884300000e-01  1.4994800000e-01  1.8988250000e+00  4.6271000000e-02  5.0285800000e-01  8.9037000000e-01 -1.0051640000e+00  9.1443500000e-01 -1.2806930000e+00  5.6186000000e-01 -1.7028300000e-01 -1.6548460000e+00  2.0185700000e-01 -9.7442200000e-01 -3.4465400000e-01  3.7259400000e-01 -2.3540900000e-01
-ENERGY -1.526612138040e+02
-FORCES -1.8421000000e-03 -4.8770000000e-04  4.8530000000e-03 -4.6684000000e-03 -2.4783000000e-03 -1.4772000000e-03  2.2299000000e-03  3.3587000000e-03 -4.3039000000e-03  1.2052200000e-02 -5.3101000000e-03 -2.3361000000e-03  1.7510000000e-03  5.1720000000e-04  2.5146000000e-03 -9.5227000000e-03  4.4001000000e-03  7.4950000000e-04
-
-JOB 10
-COORDS  4.5691800000e-01  9.3588400000e-01  8.3361300000e-01  1.1503360000e+00  1.5957350000e+00  8.3415600000e-01 -3.4863200000e-01  1.4343940000e+00  6.9646900000e-01 -4.3169700000e-01 -1.0635920000e+00 -8.3369100000e-01 -1.8698600000e-01 -4.5108000000e-01 -1.4002100000e-01 -1.0409030000e+00 -5.7170200000e-01 -1.3842760000e+00
-ENERGY -1.526571068132e+02
-FORCES  1.9788000000e-03  5.3180000000e-04 -4.2660000000e-03 -4.7222000000e-03 -1.5232000000e-03  7.5510000000e-04  3.8404000000e-03 -5.3310000000e-03 -1.8838000000e-03  5.2097000000e-03  9.9175000000e-03  6.1881000000e-03 -8.0860000000e-03 -3.3874000000e-03 -3.5348000000e-03  1.7794000000e-03 -2.0770000000e-04  2.7414000000e-03
-
-JOB 11
-COORDS -2.2857900000e-01  1.4034660000e+00  6.2750000000e-03 -2.0506400000e-01  4.6446000000e-01 -1.7797300000e-01 -6.2395200000e-01  1.4676190000e+00  8.7564000000e-01  2.5747100000e-01 -1.3032670000e+00 -9.1442000000e-02 -5.3790400000e-01 -1.7440470000e+00  2.0742900000e-01  9.6057500000e-01 -1.7045210000e+00  4.1931300000e-01
-ENERGY -1.526588380526e+02
-FORCES  2.6925000000e-03 -1.3918600000e-02  1.7337000000e-03 -5.3511000000e-03  7.9165000000e-03 -4.3660000000e-04  9.1150000000e-04 -8.2740000000e-04 -2.3202000000e-03  2.4193000000e-03  2.1732000000e-03  3.7113000000e-03  3.9741000000e-03  4.4331000000e-03 -6.0660000000e-04 -4.6463000000e-03  2.2330000000e-04 -2.0816000000e-03
-
-JOB 12
-COORDS -6.4721800000e-01 -1.1973930000e+00  4.1986500000e-01 -8.4519500000e-01 -1.6015480000e+00 -4.2494000000e-01 -3.1660400000e-01 -3.2696100000e-01  1.9788800000e-01  6.2608600000e-01  1.1125460000e+00 -3.8994800000e-01  1.2495210000e+00  1.2554420000e+00  3.2219000000e-01  2.2529400000e-01  1.9698330000e+00 -5.3367100000e-01
-ENERGY -1.526610313967e+02
-FORCES  5.5975000000e-03  1.0898500000e-02 -7.6347000000e-03  1.8990000000e-04  1.2118000000e-03  2.1949000000e-03 -3.3940000000e-03 -7.6943000000e-03  5.4268000000e-03 -7.1700000000e-05  6.8210000000e-04  2.3220000000e-03 -4.8472000000e-03 -7.0660000000e-04 -3.5006000000e-03  2.5255000000e-03 -4.3914000000e-03  1.1916000000e-03
-
-JOB 13
-COORDS  1.2145860000e+00  3.4135600000e-01 -3.6428100000e-01  2.0841610000e+00 -3.1918000000e-02 -2.2027700000e-01  1.3598650000e+00  1.0560220000e+00 -9.8426500000e-01 -1.2871980000e+00 -3.9167400000e-01  4.5690600000e-01 -1.9214960000e+00 -1.2142100000e-01 -2.0706800000e-01 -4.3499900000e-01 -1.8697400000e-01  7.2084000000e-02
-ENERGY -1.526600936962e+02
-FORCES -1.8797000000e-03 -1.1497000000e-03  1.4203000000e-03 -3.2456000000e-03  3.3635000000e-03 -1.7936000000e-03 -3.2900000000e-05 -3.9448000000e-03  2.7412000000e-03  1.1165500000e-02  3.5435000000e-03 -5.2037000000e-03  2.9159000000e-03  7.3200000000e-05  1.2743000000e-03 -8.9232000000e-03 -1.8857000000e-03  1.5615000000e-03
-
-JOB 14
-COORDS -2.8351300000e-01 -1.0545270000e+00 -7.7092200000e-01  3.1086500000e-01 -1.7749440000e+00 -9.8055400000e-01 -5.0407400000e-01 -6.7068100000e-01 -1.6195960000e+00  2.3590200000e-01  1.1132300000e+00  8.7532700000e-01 -1.8585900000e-01  4.5862600000e-01  3.1869100000e-01  1.1636270000e+00  1.0620740000e+00  6.4523900000e-01
-ENERGY -1.526586167396e+02
-FORCES  3.7809000000e-03  3.0670000000e-04  5.3430000000e-04 -2.9825000000e-03  3.6991000000e-03 -6.8160000000e-04  2.0174000000e-03 -7.5220000000e-04  5.5951000000e-03  8.9930000000e-04 -1.2391900000e-02 -7.9874000000e-03 -1.9661000000e-03  8.1189000000e-03  1.5652000000e-03 -1.7490000000e-03  1.0194000000e-03  9.7430000000e-04
-
-JOB 15
-COORDS -2.4571000000e-01  8.3687200000e-01 -1.1422720000e+00 -1.4542200000e-01  4.6374400000e-01 -2.6651600000e-01  6.4986000000e-01  9.3263700000e-01 -1.4663330000e+00  1.9208700000e-01 -7.5258400000e-01  1.0863580000e+00 -4.0936500000e-01 -1.0970360000e+00  1.7465400000e+00  7.0417200000e-01 -1.5121080000e+00  8.0864500000e-01
-ENERGY -1.526603934013e+02
-FORCES  3.8780000000e-03 -6.3140000000e-03  1.0508900000e-02 -9.5800000000e-04  5.8087000000e-03 -7.3611000000e-03 -2.3139000000e-03 -1.3250000000e-03  1.0790000000e-03 -1.7495000000e-03 -2.1578000000e-03 -3.2492000000e-03  3.4822000000e-03  5.0470000000e-04 -3.2605000000e-03 -2.3388000000e-03  3.4833000000e-03  2.2829000000e-03
-
-JOB 16
-COORDS -9.0136700000e-01 -2.2418200000e-01  1.0739930000e+00 -5.5174400000e-01  5.4143000000e-02  2.2751200000e-01 -1.8389660000e+00 -3.4006600000e-01  9.2001000000e-01  8.7284800000e-01  2.4595100000e-01 -1.0132490000e+00  1.0563130000e+00 -5.3944100000e-01 -1.5287420000e+00  1.7142680000e+00  4.7651300000e-01 -6.1944100000e-01
-ENERGY -1.526610884813e+02
-FORCES  5.2145000000e-03  2.6051000000e-03 -9.0459000000e-03 -7.9217000000e-03 -1.7531000000e-03  7.3806000000e-03  3.6958000000e-03  2.4610000000e-04 -1.3855000000e-03  3.0433000000e-03 -3.4039000000e-03  3.7547000000e-03 -5.9070000000e-04  3.9129000000e-03  2.3589000000e-03 -3.4412000000e-03 -1.6071000000e-03 -3.0629000000e-03
-
-JOB 17
-COORDS -1.0063590000e+00 -8.7438700000e-01  2.7333700000e-01 -1.1118510000e+00 -1.7556810000e+00  6.3170100000e-01 -1.2352400000e+00 -9.6256600000e-01 -6.5190300000e-01  1.0720400000e+00  9.6010300000e-01 -2.1066400000e-01  7.6359500000e-01  8.9916000000e-02  4.2060000000e-02  5.4388400000e-01  1.1892030000e+00 -9.7538400000e-01
-ENERGY -1.526569352519e+02
-FORCES -2.2724000000e-03 -1.5273000000e-03 -2.0964000000e-03  1.2855000000e-03  4.7040000000e-03 -2.1822000000e-03  3.1220000000e-03  1.4037000000e-03  4.4559000000e-03 -1.0567700000e-02 -7.0999000000e-03  1.6289000000e-03  6.8429000000e-03  3.4305000000e-03 -3.0718000000e-03  1.5897000000e-03 -9.1100000000e-04  1.2656000000e-03
-
-JOB 18
-COORDS -5.8585200000e-01  7.0052400000e-01 -1.0262970000e+00  2.4118600000e-01  6.1419400000e-01 -1.5004150000e+00 -7.5544900000e-01  1.6424230000e+00 -1.0091330000e+00  5.9872700000e-01 -7.3061600000e-01  1.0925870000e+00  1.5428700000e-01 -1.5757800000e+00  1.0262270000e+00  1.3204200000e-01 -1.6509100000e-01  4.7726700000e-01
-ENERGY -1.526613561432e+02
-FORCES  2.3516000000e-03  2.7728000000e-03 -1.6318000000e-03 -4.4859000000e-03  3.1450000000e-04  4.6919000000e-03  1.7077000000e-03 -4.8497000000e-03 -3.9960000000e-04 -8.6038000000e-03  4.1842000000e-03 -7.9218000000e-03  1.5154000000e-03  2.4598000000e-03 -2.4130000000e-04  7.5151000000e-03 -4.8816000000e-03  5.5026000000e-03
-
-JOB 19
-COORDS -6.3348400000e-01  5.8128700000e-01 -1.1679510000e+00 -4.7885800000e-01  3.2702300000e-01 -2.5818600000e-01 -7.6412000000e-02  1.3482690000e+00 -1.3007740000e+00  5.5096900000e-01 -5.5951600000e-01  1.0948060000e+00  1.2119690000e+00 -1.0819350000e+00  6.4050600000e-01  4.7613100000e-01 -9.6548900000e-01  1.9584130000e+00
-ENERGY -1.526610810953e+02
-FORCES  4.5207000000e-03 -1.2698000000e-03  9.8744000000e-03 -2.9305000000e-03  3.3528000000e-03 -7.7351000000e-03 -1.1361000000e-03 -2.7257000000e-03  2.5870000000e-04  8.5030000000e-04 -2.7667000000e-03 -1.8013000000e-03 -2.7271000000e-03  2.3560000000e-03  3.7688000000e-03  1.4227000000e-03  1.0534000000e-03 -4.3655000000e-03
-
-JOB 20
-COORDS  7.4544100000e-01  8.6520800000e-01  9.0564900000e-01  1.9503000000e-01  4.2578000000e-01  2.5743500000e-01  1.2255000000e+00  1.5599200000e-01  1.3331850000e+00 -7.6084500000e-01 -7.3438700000e-01 -8.7167300000e-01  2.5331000000e-02 -9.5351100000e-01 -1.3718160000e+00 -1.2150170000e+00 -1.5695940000e+00 -7.6036400000e-01
-ENERGY -1.526592974033e+02
-FORCES -7.1370000000e-03 -8.7785000000e-03 -4.5427000000e-03  8.1643000000e-03  5.0193000000e-03  1.6417000000e-03 -9.8630000000e-04  1.8225000000e-03 -1.7016000000e-03  1.4740000000e-04 -3.4119000000e-03  1.0210000000e-03 -3.3334000000e-03  2.0294000000e-03  5.3671000000e-03  3.1451000000e-03  3.3191000000e-03 -1.7856000000e-03
-
-JOB 21
-COORDS -2.4098300000e-01 -4.6179700000e-01 -1.3728270000e+00 -1.1227710000e+00 -8.9534000000e-02 -1.3627190000e+00  2.0138800000e-01 -5.1195000000e-02 -6.2989600000e-01  2.2023200000e-01  3.8820400000e-01  1.2867210000e+00  1.5183900000e-01  1.2466320000e+00  1.7046390000e+00  1.0597760000e+00  4.0843000000e-02  1.5879460000e+00
-ENERGY -1.526592713208e+02
-FORCES -1.9099000000e-03  5.3231000000e-03  1.2051900000e-02  2.0269000000e-03 -9.3690000000e-04 -1.4081000000e-03  2.3894000000e-03 -3.1300000000e-03 -7.7029000000e-03  1.2988000000e-03  7.2610000000e-04  2.1106000000e-03  3.5900000000e-04 -4.5841000000e-03 -1.9708000000e-03 -4.1641000000e-03  2.6019000000e-03 -3.0808000000e-03
-
-JOB 22
-COORDS -7.0510000000e-02  1.5147600000e-01 -1.4263140000e+00 -5.2682900000e-01  8.5327500000e-01 -1.8905160000e+00 -3.9388300000e-01  2.0860400000e-01 -5.2720400000e-01  1.6968500000e-01 -2.2463300000e-01  1.3788430000e+00 -9.4800000000e-03  7.1340100000e-01  1.4438230000e+00 -6.2090500000e-01 -6.4404800000e-01  1.7183870000e+00
-ENERGY -1.526547619333e+02
-FORCES -2.7290000000e-04 -1.2681000000e-03  7.6025000000e-03  1.6436000000e-03 -2.2507000000e-03  4.1298000000e-03 -3.3554000000e-03  5.2991000000e-03 -6.4401000000e-03 -2.9090000000e-04  8.8530000000e-04  3.6181000000e-03 -1.3067000000e-03 -5.7329000000e-03 -4.9911000000e-03  3.5823000000e-03  3.0673000000e-03 -3.9192000000e-03
-
-JOB 23
-COORDS  5.3392300000e-01 -1.2268700000e+00  5.7001700000e-01  1.4784520000e+00 -1.3264260000e+00  4.5092000000e-01  3.6424000000e-01 -3.0387100000e-01  3.8157100000e-01 -5.8245000000e-01  1.1444760000e+00 -4.9416700000e-01 -7.8687000000e-01  8.2642700000e-01 -1.3735350000e+00 -3.5439800000e-01  2.0656760000e+00 -6.1913100000e-01
-ENERGY -1.526610818536e+02
-FORCES -1.2056000000e-03  9.3517000000e-03 -2.6798000000e-03 -3.1233000000e-03  1.2719000000e-03 -2.2070000000e-04  4.3981000000e-03 -9.0178000000e-03  2.7835000000e-03 -8.3470000000e-04  1.7630000000e-04 -3.7803000000e-03  1.6601000000e-03  2.9218000000e-03  4.1821000000e-03 -8.9460000000e-04 -4.7038000000e-03 -2.8480000000e-04
-
-JOB 24
-COORDS  1.3614500000e-01  5.1492900000e-01  1.2634250000e+00  4.0527500000e-01  1.4193400000e-01  2.1028750000e+00  6.4091200000e-01  1.3246920000e+00  1.1877490000e+00 -1.3317800000e-01 -5.5518000000e-01 -1.3558480000e+00 -1.0530900000e+00 -3.2215900000e-01 -1.4811300000e+00 -6.1430000000e-03 -5.2959700000e-01 -4.0746000000e-01
-ENERGY -1.526609335781e+02
-FORCES  3.0741000000e-03  3.2535000000e-03 -5.8600000000e-05 -8.6940000000e-04  1.8225000000e-03 -4.5432000000e-03 -2.4150000000e-03 -3.9447000000e-03  2.0805000000e-03 -2.2229000000e-03  4.1482000000e-03  1.0625900000e-02  2.6753000000e-03 -6.0020000000e-04 -2.1010000000e-04 -2.4220000000e-04 -4.6792000000e-03 -7.8945000000e-03
-
-JOB 25
-COORDS -4.3660400000e-01  7.4119000000e-01 -1.0991440000e+00 -7.9781000000e-02  1.5653500000e-01 -1.7677910000e+00 -6.0640000000e-03  1.5808290000e+00 -1.2600010000e+00  3.4057800000e-01 -7.8749500000e-01  1.1836870000e+00  1.2840650000e+00 -8.1936200000e-01  1.3419540000e+00  2.4956700000e-01 -2.8055100000e-01  3.7686800000e-01
-ENERGY -1.526596564016e+02
-FORCES  5.9570000000e-04  2.5865000000e-03 -3.6246000000e-03 -1.0690000000e-04  2.7070000000e-03  6.2222000000e-03 -1.4479000000e-03 -5.0988000000e-03  6.8920000000e-04 -1.4255000000e-03  6.8228000000e-03 -7.5383000000e-03 -3.0883000000e-03  9.6250000000e-04 -1.9199000000e-03  5.4729000000e-03 -7.9800000000e-03  6.1714000000e-03
-
-JOB 26
-COORDS  1.9065000000e-02  1.3979800000e+00 -4.4260400000e-01 -5.1250200000e-01  1.5820150000e+00 -1.2170710000e+00 -1.0000000000e-05  4.4458900000e-01 -3.5945300000e-01  3.1594000000e-02 -1.3254670000e+00  5.5016200000e-01  6.2572100000e-01 -1.6965780000e+00 -1.0215900000e-01 -8.3861100000e-01 -1.4178470000e+00  1.6229500000e-01
-ENERGY -1.526565662913e+02
-FORCES -2.7640000000e-04 -8.0286000000e-03  2.5791000000e-03  1.5009000000e-03 -2.8423000000e-03  3.2061000000e-03 -2.2058000000e-03  6.6208000000e-03 -7.5318000000e-03 -1.0163000000e-03 -4.8552000000e-03 -5.1960000000e-04 -4.1218000000e-03  4.8875000000e-03  2.3593000000e-03  6.1194000000e-03  4.2178000000e-03 -9.3200000000e-05
-
-JOB 27
-COORDS  1.2687840000e+00 -7.7545000000e-01 -5.4303000000e-02  5.5544800000e-01 -1.6646600000e-01  1.3680800000e-01  9.1080500000e-01 -1.6379460000e+00  1.5589600000e-01 -1.1470710000e+00  8.1405600000e-01  2.3749000000e-02 -1.7563380000e+00  5.6439300000e-01 -6.7101300000e-01 -1.6225320000e+00  6.3620400000e-01  8.3525200000e-01
-ENERGY -1.526602628582e+02
-FORCES -1.0170600000e-02  4.2252000000e-03  6.9810000000e-04  8.3222000000e-03 -5.8031000000e-03  1.9320000000e-03  6.2590000000e-04  2.6309000000e-03 -5.6580000000e-04 -4.2159000000e-03 -1.5391000000e-03 -2.1459000000e-03  2.0266000000e-03  1.1337000000e-03  4.4545000000e-03  3.4118000000e-03 -6.4770000000e-04 -4.3729000000e-03
-
-JOB 28
-COORDS -1.4141770000e+00 -1.7965000000e-01 -4.4901100000e-01 -4.6819300000e-01 -7.9884000000e-02 -3.4227000000e-01 -1.6404960000e+00 -9.2762800000e-01  1.0374600000e-01  1.3832320000e+00  2.7496200000e-01  3.6737700000e-01  9.5014000000e-01  2.6577600000e-01  1.2209460000e+00  1.6430880000e+00 -6.3447700000e-01  2.2031500000e-01
-ENERGY -1.526579787022e+02
-FORCES  8.7401000000e-03  2.3700000000e-04  1.9647000000e-03 -9.2853000000e-03 -4.4456000000e-03  5.1580000000e-04  2.2993000000e-03  2.8767000000e-03 -1.0921000000e-03  2.6497000000e-03 -1.9362000000e-03  5.0922000000e-03  2.2710000000e-04 -1.5101000000e-03 -6.5752000000e-03 -4.6309000000e-03  4.7782000000e-03  9.4600000000e-05
-
-JOB 29
-COORDS -1.0189720000e+00  8.4779400000e-01 -5.6772700000e-01 -5.1056000000e-01  1.1347880000e+00 -1.3262670000e+00 -9.2865300000e-01  1.5601850000e+00  6.5182000000e-02  9.8147100000e-01 -9.5648800000e-01  6.1235800000e-01  1.7522960000e+00 -5.4990100000e-01  2.1644400000e-01  2.5391200000e-01 -3.8806800000e-01  3.5979800000e-01
-ENERGY -1.526594038502e+02
-FORCES  3.6480000000e-04  5.0653000000e-03 -2.9021000000e-03 -1.3960000000e-03 -1.6955000000e-03  5.0582000000e-03  1.5574000000e-03 -5.4986000000e-03 -2.9116000000e-03 -5.9428000000e-03  6.6022000000e-03 -5.7029000000e-03 -2.7086000000e-03 -6.5420000000e-04  8.8300000000e-04  8.1253000000e-03 -3.8192000000e-03  5.5754000000e-03
-
-JOB 30
-COORDS  1.9879800000e-01  9.5429200000e-01  1.1658240000e+00  1.0995040000e+00  7.0011700000e-01  9.6493800000e-01 -3.2637000000e-01  5.3652100000e-01  4.8325700000e-01 -2.1919200000e-01 -8.8299600000e-01 -1.0571030000e+00  4.9304000000e-01 -1.3466450000e+00 -1.4975420000e+00 -9.7114600000e-01 -9.8913200000e-01 -1.6397970000e+00
-ENERGY -1.526589407159e+02
-FORCES  1.1996000000e-03 -7.7121000000e-03 -8.9441000000e-03 -1.1408000000e-03  1.5648000000e-03  1.8716000000e-03 -1.8174000000e-03  5.2307000000e-03  5.1053000000e-03  1.6382000000e-03 -1.7876000000e-03 -2.4928000000e-03 -3.5572000000e-03  1.9340000000e-03  1.4725000000e-03  3.6776000000e-03  7.7030000000e-04  2.9875000000e-03
-
-JOB 31
-COORDS -4.6313700000e-01  1.0302680000e+00 -8.2653600000e-01 -4.9497300000e-01  1.0157400000e+00 -1.7830960000e+00 -3.8216700000e-01  1.9575120000e+00 -6.0316500000e-01  4.6547700000e-01 -1.0855840000e+00  9.3623600000e-01  7.9355000000e-01 -1.6864560000e+00  2.6724200000e-01  2.4573000000e-02 -3.9421700000e-01  4.4242700000e-01
-ENERGY -1.526608909609e+02
-FORCES  1.3195000000e-03  2.1463000000e-03 -1.8361000000e-03  3.5430000000e-04  1.0452000000e-03  4.2603000000e-03 -6.3360000000e-04 -4.1615000000e-03 -2.1495000000e-03 -2.4136000000e-03  5.8071000000e-03 -8.6387000000e-03 -8.9370000000e-04  1.3654000000e-03  1.8414000000e-03  2.2671000000e-03 -6.2025000000e-03  6.5226000000e-03
-
-JOB 32
-COORDS  5.5958800000e-01  1.0640280000e+00  7.3030200000e-01  7.5075300000e-01  1.9252030000e+00  3.5873200000e-01  1.1932990000e+00  9.6305600000e-01  1.4405460000e+00 -6.4383100000e-01 -1.1356560000e+00 -7.0279600000e-01 -6.2499700000e-01 -1.2794610000e+00 -1.6489450000e+00  1.1949000000e-02 -4.5525200000e-01 -5.5036700000e-01
-ENERGY -1.526595379416e+02
-FORCES  1.7925000000e-03  2.7449000000e-03  3.2999000000e-03 -4.6550000000e-04 -4.6418000000e-03  1.3712000000e-03 -2.7975000000e-03  1.3173000000e-03 -3.6608000000e-03  4.0757000000e-03  6.1828000000e-03  1.9093000000e-03  5.3400000000e-04  1.7928000000e-03  3.3731000000e-03 -3.1392000000e-03 -7.3960000000e-03 -6.2928000000e-03
-
-JOB 33
-COORDS -1.0182300000e-01 -2.7661900000e-01 -1.4081230000e+00  6.7364000000e-01 -7.4604600000e-01 -1.1006700000e+00 -4.3120400000e-01 -8.0672200000e-01 -2.1338850000e+00  1.4077300000e-01  3.5654600000e-01  1.4236000000e+00 -3.8657300000e-01  3.6338400000e-01  2.2224060000e+00 -4.3772800000e-01 -1.4406000000e-02  7.5729500000e-01
-ENERGY -1.526594426489e+02
-FORCES  4.0168000000e-03 -2.7484000000e-03 -3.2501000000e-03 -5.9310000000e-03  1.3923000000e-03 -1.2346000000e-03  1.8312000000e-03  2.2010000000e-03  3.4179000000e-03 -4.9848000000e-03 -3.3290000000e-04 -3.3373000000e-03  1.1852000000e-03 -2.3100000000e-04 -3.6221000000e-03  3.8826000000e-03 -2.8110000000e-04  8.0262000000e-03
-
-JOB 34
-COORDS -1.0817300000e+00 -1.6036200000e-01 -1.0584210000e+00 -5.4384700000e-01 -8.7587000000e-02 -1.8468480000e+00 -4.5010400000e-01 -2.2989200000e-01 -3.4256800000e-01  9.7222800000e-01  2.0068700000e-01  1.0265160000e+00  6.9659700000e-01 -2.8184300000e-01  1.8058900000e+00  1.8880650000e+00 -4.8078000000e-02  9.0164800000e-01
-ENERGY -1.526603373593e+02
-FORCES  9.3300000000e-03  2.3146000000e-03  4.5091000000e-03 -1.5715000000e-03 -4.8370000000e-04  2.0625000000e-03 -7.8696000000e-03 -3.3188000000e-03 -5.2724000000e-03  3.7314000000e-03 -1.3295000000e-03  3.1921000000e-03  1.0520000000e-03  1.8066000000e-03 -5.2396000000e-03 -4.6724000000e-03  1.0109000000e-03  7.4830000000e-04
-
-JOB 35
-COORDS  1.2204930000e+00  3.6731000000e-02  7.3481600000e-01  7.8698000000e-01  2.4335000000e-02  1.5881300000e+00  2.1363920000e+00  2.3112200000e-01  9.3374500000e-01 -1.2607900000e+00  1.2737000000e-02 -8.1153400000e-01 -5.6713300000e-01 -3.0423600000e-01 -2.3308800000e-01 -1.7060710000e+00 -7.8051500000e-01 -1.1093710000e+00
-ENERGY -1.526581091780e+02
-FORCES  3.8152000000e-03  2.6010000000e-03  1.9811000000e-03  7.4480000000e-04 -1.2242000000e-03 -5.7064000000e-03 -4.0541000000e-03 -6.3930000000e-04  6.6590000000e-04  6.0775000000e-03 -2.8203000000e-03  1.4463000000e-03 -8.7809000000e-03 -5.2130000000e-04  9.2500000000e-05  2.1975000000e-03  2.6041000000e-03  1.5206000000e-03
-
-JOB 36
-COORDS  5.8112000000e-02 -5.5291600000e-01  1.3139870000e+00 -7.2825900000e-01 -9.2909100000e-01  1.7093900000e+00  7.8153900000e-01 -9.2208500000e-01  1.8205430000e+00 -2.0125000000e-02  6.3099300000e-01 -1.4122630000e+00  3.5030700000e-01  7.9176000000e-02 -7.2341600000e-01 -9.6704500000e-01  5.6682300000e-01 -1.2879330000e+00
-ENERGY -1.526590986169e+02
-FORCES -1.3083000000e-03 -2.0269000000e-03  3.7478000000e-03  3.7680000000e-03  1.7088000000e-03 -1.5677000000e-03 -3.5882000000e-03  1.5436000000e-03 -2.7256000000e-03 -2.5146000000e-03 -4.1023000000e-03  9.6337000000e-03  1.6828000000e-03  2.3109000000e-03 -7.4580000000e-03  1.9602000000e-03  5.6600000000e-04 -1.6303000000e-03
-
-JOB 37
-COORDS -3.7261900000e-01 -8.9804600000e-01 -1.1978760000e+00 -8.9741800000e-01 -1.8375700000e-01 -1.5592760000e+00  1.7508900000e-01 -4.8080200000e-01 -5.3292900000e-01  4.1150000000e-01  8.3729800000e-01  1.1329890000e+00  4.7370700000e-01  4.0580000000e-01  1.9851460000e+00 -4.1042700000e-01  1.3263970000e+00  1.1710800000e+00
-ENERGY -1.526599792697e+02
-FORCES  2.4498000000e-03  7.6354000000e-03  5.6230000000e-03  8.5400000000e-04 -2.2080000000e-03  1.2447000000e-03 -2.5509000000e-03 -5.6643000000e-03 -6.8352000000e-03 -4.0837000000e-03  4.1410000000e-04  4.8169000000e-03 -5.4340000000e-04  2.2396000000e-03 -4.1172000000e-03  3.8741000000e-03 -2.4167000000e-03 -7.3220000000e-04
-
-JOB 38
-COORDS  3.8903400000e-01  1.0920870000e+00  8.5291300000e-01  5.5609200000e-01  1.9100430000e+00  3.8464700000e-01  8.0375700000e-01  1.2153530000e+00  1.7067530000e+00 -3.9554500000e-01 -1.2060230000e+00 -8.9880500000e-01 -1.2636510000e+00 -8.4553600000e-01 -1.0795650000e+00  2.3340000000e-03 -5.8114700000e-01 -2.9262500000e-01
-ENERGY -1.526613955060e+02
-FORCES  2.4617000000e-03  3.6266000000e-03  1.8977000000e-03 -8.6390000000e-04 -3.6445000000e-03  2.8480000000e-03 -1.7489000000e-03  6.0490000000e-04 -4.1852000000e-03 -4.1150000000e-04  7.5753000000e-03  5.6663000000e-03  2.4787000000e-03 -1.2422000000e-03 -2.6520000000e-04 -1.9161000000e-03 -6.9200000000e-03 -5.9616000000e-03
-
-JOB 39
-COORDS -9.3279000000e-01 -6.5830500000e-01 -1.0492250000e+00 -1.5484960000e+00  4.5140000000e-02 -1.2549000000e+00 -1.6176400000e-01 -2.0883600000e-01 -7.0320600000e-01  9.2903500000e-01  5.3071800000e-01  1.0112330000e+00  1.3560500000e-01  8.9361800000e-01  1.4049400000e+00  1.5946890000e+00  1.2048640000e+00  1.1478490000e+00
-ENERGY -1.526595325882e+02
-FORCES  4.7817000000e-03  4.7401000000e-03  2.4574000000e-03  2.1569000000e-03 -2.0595000000e-03  1.7547000000e-03 -7.5449000000e-03 -2.5049000000e-03 -5.1214000000e-03  3.4030000000e-04  3.5413000000e-03  4.8556000000e-03  4.0200000000e-03 -8.4980000000e-04 -3.5829000000e-03 -3.7540000000e-03 -2.8672000000e-03 -3.6330000000e-04
-
-JOB 40
-COORDS  1.0882830000e+00 -1.0258550000e+00  2.4948000000e-02  1.1414040000e+00 -1.1463120000e+00 -9.2315500000e-01  7.2702000000e-01 -1.8498470000e+00  3.5168600000e-01 -1.1074930000e+00  1.0959180000e+00 -4.8275000000e-02 -1.3073530000e+00  1.3758080000e+00  8.4500500000e-01 -3.3748000000e-01  5.3463900000e-01  4.2709000000e-02
-ENERGY -1.526614762401e+02
-FORCES  6.9000000000e-05 -6.4267000000e-03 -2.7238000000e-03 -1.1167000000e-03  1.1242000000e-03  5.1909000000e-03  1.8667000000e-03  4.0034000000e-03 -1.7249000000e-03  6.2713000000e-03 -4.2311000000e-03  3.9761000000e-03  5.5530000000e-04 -1.3269000000e-03 -2.7147000000e-03 -7.6456000000e-03  6.8571000000e-03 -2.0036000000e-03
-
-JOB 41
-COORDS  2.8158000000e-01 -3.1704700000e-01 -1.4228750000e+00  1.0873230000e+00  1.0549300000e-01 -1.7203140000e+00  2.8491100000e-01 -1.1711860000e+00 -1.8549270000e+00 -2.8967500000e-01  3.7547000000e-01  1.5083700000e+00 -1.0848600000e+00 -1.3889200000e-01  1.6474590000e+00 -9.1701000000e-02  2.6455400000e-01  5.7845800000e-01
-ENERGY -1.526610380555e+02
-FORCES  3.2182000000e-03 -3.1391000000e-03 -3.7137000000e-03 -3.9098000000e-03 -2.3513000000e-03  1.7371000000e-03  4.1850000000e-04  4.1983000000e-03  1.0502000000e-03 -1.6504000000e-03 -3.7695000000e-03 -7.9830000000e-03  2.3862000000e-03  1.3894000000e-03  9.4400000000e-05 -4.6270000000e-04  3.6723000000e-03  8.8149000000e-03
-
-JOB 42
-COORDS -1.4074940000e+00 -5.8875900000e-01 -1.5102100000e-01 -1.1729490000e+00 -3.9892700000e-01 -1.0594170000e+00 -1.9810110000e+00  1.3366200000e-01  1.0474700000e-01  1.4811090000e+00  5.6583500000e-01  2.0627000000e-01  7.0993700000e-01  8.9747800000e-01 -2.5366400000e-01  1.3000490000e+00 -3.6476800000e-01  3.3828200000e-01
-ENERGY -1.526554563446e+02
-FORCES -3.4873000000e-03  2.8443000000e-03 -1.8277000000e-03  1.3261000000e-03  6.4960000000e-04  5.4497000000e-03  3.4876000000e-03 -2.8621000000e-03 -1.8600000000e-03 -8.1741000000e-03 -4.9885000000e-03  6.4830000000e-04  2.8510000000e-03  1.2089000000e-03 -1.2566000000e-03  3.9968000000e-03  3.1478000000e-03 -1.1537000000e-03
-
-JOB 43
-COORDS -1.2775400000e-01 -4.8197600000e-01 -1.5108440000e+00 -3.6053800000e-01  4.2671200000e-01 -1.3202420000e+00  6.7518600000e-01 -6.3364800000e-01 -1.0123310000e+00  7.5390000000e-02  4.8425900000e-01  1.5165860000e+00  9.6269000000e-01  2.0711500000e-01  1.2882860000e+00 -4.9399700000e-01 -7.1282000000e-02  9.8422900000e-01
-ENERGY -1.526548684778e+02
-FORCES  3.6561000000e-03  5.2324000000e-03  1.0105000000e-03  2.0400000000e-05 -5.6142000000e-03 -1.9960000000e-04 -3.9166000000e-03  2.4500000000e-05  6.1470000000e-04  3.7780000000e-04 -5.2693000000e-03 -2.5056000000e-03 -3.6175000000e-03  1.1802000000e-03 -1.2932000000e-03  3.4798000000e-03  4.4464000000e-03  2.3732000000e-03
-
-JOB 44
-COORDS -1.1044160000e+00  6.3150800000e-01 -9.4340300000e-01 -1.9248590000e+00  1.4363700000e-01 -8.7207900000e-01 -6.6305300000e-01  4.8237400000e-01 -1.0722800000e-01  1.0816190000e+00 -6.2782200000e-01  8.5281400000e-01  9.5769000000e-01 -3.5832200000e-01  1.7628930000e+00  1.9677520000e+00 -3.3846900000e-01  6.3538400000e-01
-ENERGY -1.526583022173e+02
-FORCES  2.6089000000e-03 -5.3427000000e-03  4.9191000000e-03  2.7540000000e-03  1.8096000000e-03  8.2400000000e-05 -6.6960000000e-03  4.8386000000e-03 -3.0208000000e-03  6.5446000000e-03  3.2150000000e-04  1.4159000000e-03 -1.2121000000e-03 -1.3480000000e-04 -5.4451000000e-03 -3.9995000000e-03 -1.4922000000e-03  2.0484000000e-03
-
-JOB 45
-COORDS -1.6497700000e-01 -1.2595160000e+00 -9.7773700000e-01 -2.7046600000e-01 -3.1668700000e-01 -8.5054700000e-01 -1.0475100000e+00 -1.5758490000e+00 -1.1708730000e+00  1.7400000000e-01  1.2358800000e+00  9.4783200000e-01  2.3041300000e-01  9.0669800000e-01  1.8448770000e+00  1.0840850000e+00  1.3013340000e+00  6.5853800000e-01
-ENERGY -1.526586282726e+02
-FORCES -4.1033000000e-03  5.0243000000e-03  2.3155000000e-03  1.3417000000e-03 -5.7982000000e-03 -5.2196000000e-03  3.0796000000e-03  1.1099000000e-03  9.2730000000e-04  4.4207000000e-03 -2.3196000000e-03  5.0916000000e-03  7.4900000000e-05  2.5374000000e-03 -3.3459000000e-03 -4.8137000000e-03 -5.5380000000e-04  2.3120000000e-04
-
-JOB 46
-COORDS  4.4034900000e-01  1.3787960000e+00  5.1677700000e-01 -3.9296600000e-01  1.8475140000e+00  5.6283500000e-01  1.0846070000e+00  2.0009040000e+00  8.5463200000e-01 -4.3801100000e-01 -1.4760590000e+00 -5.8872600000e-01  2.2923400000e-01 -8.1118300000e-01 -4.1856200000e-01 -9.9763500000e-01 -1.4586420000e+00  1.8764400000e-01
-ENERGY -1.526594643542e+02
-FORCES -8.8600000000e-04  5.7891000000e-03  1.3819000000e-03  3.9518000000e-03 -1.9268000000e-03  6.0870000000e-04 -3.3127000000e-03 -2.3307000000e-03 -1.4171000000e-03  2.1165000000e-03  5.7967000000e-03  5.1227000000e-03 -2.5697000000e-03 -6.6516000000e-03 -2.7509000000e-03  7.0000000000e-04 -6.7680000000e-04 -2.9454000000e-03
-
-JOB 47
-COORDS  2.8837700000e-01  8.5509200000e-01 -1.3125020000e+00 -2.4629500000e-01  9.1579000000e-02 -1.0947750000e+00  5.3221100000e-01  7.2391700000e-01 -2.2287820000e+00 -3.2611300000e-01 -7.7051300000e-01  1.3771290000e+00 -1.8330900000e-01 -1.7060300000e+00  1.2334390000e+00  5.1015200000e-01 -3.6275300000e-01  1.1521290000e+00
-ENERGY -1.526580149385e+02
-FORCES -3.3784000000e-03 -2.8575000000e-03 -2.5021000000e-03  5.0183000000e-03  3.2665000000e-03 -3.2502000000e-03 -1.2323000000e-03 -1.3350000000e-04  4.0018000000e-03  5.5371000000e-03 -8.8230000000e-04  1.5484000000e-03 -9.7510000000e-04  4.3536000000e-03 -8.3110000000e-04 -4.9697000000e-03 -3.7468000000e-03  1.0332000000e-03
-
-JOB 48
-COORDS  4.9896800000e-01  1.5033400000e+00  1.5744000000e-01  1.2666470000e+00  1.9323690000e+00  5.3537500000e-01  7.8229500000e-01  1.2293450000e+00 -7.1484800000e-01 -5.7929800000e-01 -1.5774340000e+00 -1.2418700000e-01  1.6961200000e-01 -1.2088370000e+00  3.4432400000e-01 -8.4068500000e-01 -8.9034900000e-01 -7.3723100000e-01
-ENERGY -1.526558371692e+02
-FORCES  4.5411000000e-03  3.4923000000e-03 -1.8178000000e-03 -3.3876000000e-03 -2.4580000000e-03 -1.7381000000e-03 -2.4539000000e-03 -7.7340000000e-04  4.4553000000e-03  1.2388000000e-03  7.4951000000e-03  1.8627000000e-03 -1.5465000000e-03 -4.4119000000e-03 -2.8070000000e-03  1.6081000000e-03 -3.3441000000e-03  4.4900000000e-05
-
-JOB 49
-COORDS  3.2931000000e-02 -1.4668230000e+00  7.3351900000e-01  6.3798300000e-01 -7.6091200000e-01  9.6119100000e-01  4.6521700000e-01 -1.9317030000e+00  1.7106000000e-02 -4.0760000000e-02  1.4729730000e+00 -6.9308800000e-01 -3.2955700000e-01  6.6360700000e-01 -1.1146980000e+00 -8.5178900000e-01  1.9218270000e+00 -4.5435600000e-01
-ENERGY -1.526573229836e+02
-FORCES  5.3877000000e-03  2.3603000000e-03 -2.4900000000e-04 -2.4149000000e-03 -5.2488000000e-03 -4.4970000000e-04 -2.6229000000e-03  2.7109000000e-03  1.9183000000e-03 -6.3583000000e-03 -2.5930000000e-03 -2.3240000000e-04  2.6106000000e-03  4.1382000000e-03  1.7570000000e-04  3.3979000000e-03 -1.3676000000e-03 -1.1630000000e-03
-
-JOB 50
-COORDS  4.1352300000e-01  8.8195100000e-01  1.2964740000e+00  3.3455500000e-01  1.2083500000e+00  4.0011500000e-01  1.0558160000e+00  1.4608950000e+00  1.7069800000e+00 -4.2308700000e-01 -9.9275300000e-01 -1.2473580000e+00 -1.3379620000e+00 -7.1156900000e-01 -1.2342870000e+00  5.0620000000e-02 -2.5094500000e-01 -1.6235960000e+00
-ENERGY -1.526515184660e+02
-FORCES  2.1380000000e-03  2.3223000000e-03 -2.4336000000e-03  2.1690000000e-04  1.7300000000e-05  2.4937000000e-03 -2.7060000000e-03 -2.9040000000e-03 -2.0587000000e-03 -1.9564000000e-03  2.7312000000e-03 -4.5850000000e-04  4.2991000000e-03 -6.7960000000e-04 -4.5750000000e-04 -1.9916000000e-03 -1.4872000000e-03  2.9146000000e-03
-
-JOB 51
-COORDS -1.3955500000e+00  7.2978900000e-01 -3.4143100000e-01 -2.2508750000e+00  3.0801200000e-01 -4.2361900000e-01 -1.3360210000e+00  1.3026800000e+00 -1.1059460000e+00  1.4714960000e+00 -7.8900800000e-01  4.3125900000e-01  1.9068100000e+00 -2.3082100000e-01 -2.1307100000e-01  5.5295700000e-01 -5.2168200000e-01  3.9879200000e-01
-ENERGY -1.526594866794e+02
-FORCES -5.0498000000e-03  1.7955000000e-03 -4.1022000000e-03  3.8881000000e-03  2.1266000000e-03  1.0830000000e-04 -3.2730000000e-04 -2.6904000000e-03  3.2988000000e-03 -4.8509000000e-03  4.9389000000e-03 -3.0878000000e-03 -6.4740000000e-04 -2.0239000000e-03  1.9572000000e-03  6.9873000000e-03 -4.1468000000e-03  1.8257000000e-03
-
-JOB 52
-COORDS -1.0631100000e+00 -3.4360800000e-01 -1.2410270000e+00 -1.5408190000e+00  2.5974600000e-01 -1.8102290000e+00 -1.6383700000e-01 -1.5695000000e-02 -1.2445880000e+00  1.0008210000e+00  2.4533100000e-01  1.2317010000e+00  6.9433800000e-01  7.2632700000e-01  2.0004290000e+00  1.9197830000e+00  4.9751700000e-01  1.1414600000e+00
-ENERGY -1.526551870270e+02
-FORCES  3.6657000000e-03  3.8077000000e-03  2.3100000000e-04  1.8290000000e-03 -2.1193000000e-03  2.5501000000e-03 -4.2060000000e-03 -1.4505000000e-03 -4.0542000000e-03  1.0231000000e-03  2.6263000000e-03  5.2094000000e-03  2.1532000000e-03 -1.8682000000e-03 -3.0178000000e-03 -4.4650000000e-03 -9.9600000000e-04 -9.1860000000e-04
-
-JOB 53
-COORDS  1.0956110000e+00  9.3102000000e-02 -1.2012770000e+00  4.5278100000e-01 -2.5531600000e-01 -1.8190200000e+00  1.6348460000e+00  6.8582800000e-01 -1.7248540000e+00 -1.1425110000e+00 -1.0725600000e-01  1.2408830000e+00 -9.4173400000e-01 -2.7319700000e-01  2.1619610000e+00 -2.9116300000e-01  5.7668000000e-02  8.3562000000e-01
-ENERGY -1.526598449442e+02
-FORCES  3.4600000000e-04  1.1968000000e-03 -6.5913000000e-03  3.4353000000e-03  1.9418000000e-03  2.6705000000e-03 -2.3268000000e-03 -2.9008000000e-03  1.6214000000e-03  5.7674000000e-03  3.9400000000e-04  4.2630000000e-04 -5.4370000000e-04  7.3480000000e-04 -3.2946000000e-03 -6.6782000000e-03 -1.3666000000e-03  5.1678000000e-03
-
-JOB 54
-COORDS  1.1573900000e+00  7.0981000000e-02 -1.2269350000e+00  6.1977200000e-01 -6.6407200000e-01 -9.3215100000e-01  1.5665070000e+00 -2.3964600000e-01 -2.0346260000e+00 -1.1054230000e+00 -5.4082000000e-02  1.2301020000e+00 -1.9523950000e+00  1.1398100000e-01  8.1703500000e-01 -1.1359580000e+00  4.3950500000e-01  2.0496580000e+00
-ENERGY -1.526558547991e+02
-FORCES -1.4682000000e-03 -4.4629000000e-03  1.9280000000e-04  3.4579000000e-03  2.1071000000e-03 -4.4645000000e-03 -1.9238000000e-03  1.3251000000e-03  3.3373000000e-03 -2.8883000000e-03  4.6106000000e-03  2.4633000000e-03  3.4950000000e-03 -1.3892000000e-03  1.5692000000e-03 -6.7250000000e-04 -2.1907000000e-03 -3.0980000000e-03
-
-JOB 55
-COORDS -1.2548890000e+00 -9.2789600000e-01  8.2471400000e-01 -1.0180900000e+00 -5.5010200000e-01  1.6717260000e+00 -6.2910900000e-01 -5.4697500000e-01  2.0865500000e-01  1.1568360000e+00  8.4830100000e-01 -8.3425200000e-01  1.4460190000e+00  1.3997600000e+00 -1.5612310000e+00  1.7987030000e+00  1.0074440000e+00 -1.4221800000e-01
-ENERGY -1.526587642714e+02
-FORCES  4.4559000000e-03  4.3905000000e-03 -1.1720000000e-03 -6.7570000000e-04 -1.5406000000e-03 -2.5871000000e-03 -4.8345000000e-03 -4.1455000000e-03  5.1597000000e-03  4.7974000000e-03  4.1807000000e-03 -2.2995000000e-03 -3.4380000000e-04 -2.0732000000e-03  3.5738000000e-03 -3.3993000000e-03 -8.1200000000e-04 -2.6749000000e-03
-
-JOB 56
-COORDS  1.0907140000e+00  5.2922000000e-02 -1.3726190000e+00  5.5694200000e-01  7.6392100000e-01 -1.0179370000e+00  5.5845700000e-01 -3.1888700000e-01 -2.0759640000e+00 -1.0110220000e+00 -1.0075700000e-01  1.4527080000e+00 -1.8063180000e+00 -2.4868300000e-01  9.4099200000e-01 -4.9742900000e-01  5.1190200000e-01  9.2630200000e-01
-ENERGY -1.526510865383e+02
-FORCES -4.0904000000e-03  3.3320000000e-04 -2.5264000000e-03  8.3250000000e-04 -3.3357000000e-03  1.6334000000e-03  2.3483000000e-03  1.9003000000e-03  3.1134000000e-03  2.8400000000e-05  4.3150000000e-04 -4.4194000000e-03  3.4240000000e-03  9.7850000000e-04  1.8858000000e-03 -2.5428000000e-03 -3.0780000000e-04  3.1330000000e-04
-
-JOB 57
-COORDS -1.2961090000e+00 -1.1847240000e+00  1.2247200000e-01 -1.0491430000e+00 -1.3130150000e+00 -7.9337700000e-01 -8.6407000000e-01 -1.8996020000e+00  5.8993700000e-01  1.2358010000e+00  1.2143630000e+00 -4.5063000000e-02  1.0378480000e+00  8.6252600000e-01 -9.1296600000e-01  1.8583110000e+00  1.9226530000e+00 -2.0949900000e-01
-ENERGY -1.526524713094e+02
-FORCES  3.3873000000e-03 -3.1385000000e-03 -4.2310000000e-04 -4.2730000000e-04  1.3466000000e-03  3.1929000000e-03 -2.3064000000e-03  2.4368000000e-03 -2.2504000000e-03  6.1390000000e-04  1.4809000000e-03 -4.2518000000e-03  1.5349000000e-03  9.9920000000e-04  2.7697000000e-03 -2.8024000000e-03 -3.1250000000e-03  9.6270000000e-04
-
-JOB 58
-COORDS -7.4602600000e-01 -1.5299420000e+00  3.4752300000e-01 -8.6998800000e-01 -2.0498000000e+00  1.1416350000e+00 -1.5113850000e+00 -9.5603800000e-01  3.1447700000e-01  8.1330500000e-01  1.5603310000e+00 -3.3289900000e-01  1.3937250000e+00  1.2766380000e+00 -1.0392020000e+00 -6.0191000000e-02  1.2915960000e+00 -6.1753600000e-01
-ENERGY -1.526535478604e+02
-FORCES -2.9008000000e-03  3.7200000000e-05  4.7939000000e-03  2.8230000000e-04  1.8609000000e-03 -3.5035000000e-03  3.5364000000e-03 -1.3663000000e-03 -1.1273000000e-03 -8.9030000000e-04 -5.1105000000e-03 -3.6907000000e-03 -1.9702000000e-03  2.1301000000e-03  2.4827000000e-03  1.9427000000e-03  2.4487000000e-03  1.0450000000e-03
-
-JOB 59
-COORDS -3.2895200000e-01  1.7109390000e+00  4.2719700000e-01 -6.6808000000e-02  2.0877910000e+00  1.2671350000e+00  4.9646000000e-01  1.5226840000e+00 -1.9442000000e-02  2.1204700000e-01 -1.7544540000e+00 -4.7018200000e-01  6.3084700000e-01 -1.7477850000e+00  3.9051100000e-01  7.3899100000e-01 -1.1545940000e+00 -9.9813000000e-01
-ENERGY -1.526520181334e+02
-FORCES  3.7588000000e-03  8.9900000000e-04  1.5001000000e-03 -1.0654000000e-03 -2.0195000000e-03 -3.5417000000e-03 -2.7868000000e-03 -3.3000000000e-05  1.5305000000e-03  2.3866000000e-03  3.3260000000e-03  2.0354000000e-03 -9.0840000000e-04 -3.6730000000e-04 -3.7589000000e-03 -1.3847000000e-03 -1.8052000000e-03  2.2347000000e-03
-
-JOB 60
-COORDS -1.2726610000e+00 -8.6621300000e-01 -1.0490230000e+00 -1.2653910000e+00 -1.3298300000e-01 -4.3375700000e-01 -3.8339700000e-01 -1.2185540000e+00 -1.0129950000e+00  1.2000750000e+00  8.8089400000e-01  9.6542200000e-01  1.1967730000e+00  1.1573860000e+00  1.8818130000e+00  1.6352380000e+00  2.8369000000e-02  9.7353700000e-01
-ENERGY -1.526563971746e+02
-FORCES  4.7234000000e-03  3.5465000000e-03  3.1786000000e-03 -2.3606000000e-03 -4.1586000000e-03 -3.0690000000e-03 -3.0437000000e-03 -6.9100000000e-05 -2.3410000000e-04  3.6539000000e-03 -1.1989000000e-03  5.0817000000e-03 -6.3500000000e-05 -1.3292000000e-03 -4.1244000000e-03 -2.9095000000e-03  3.2094000000e-03 -8.3270000000e-04
-
-JOB 61
-COORDS -1.7474740000e+00 -4.2926500000e-01 -1.0840300000e-01 -1.0095000000e+00 -9.0880300000e-01 -4.8479300000e-01 -2.5223470000e+00 -8.8869300000e-01 -4.3202200000e-01  1.7956320000e+00  4.3897900000e-01  1.6172200000e-01  1.0356690000e+00  6.6734500000e-01  6.9701300000e-01  1.6920370000e+00  9.5793300000e-01 -6.3589100000e-01
-ENERGY -1.526573297215e+02
-FORCES -8.6300000000e-04 -4.7680000000e-03 -2.8442000000e-03 -4.1896000000e-03  2.8080000000e-03  1.5916000000e-03  3.3484000000e-03  1.6988000000e-03  1.0498000000e-03 -3.3012000000e-03  4.7645000000e-03  7.2800000000e-05  4.4329000000e-03 -1.6948000000e-03 -2.7487000000e-03  5.7250000000e-04 -2.8086000000e-03  2.8786000000e-03
-
-JOB 62
-COORDS -2.6614700000e-01  1.7215160000e+00  5.6717600000e-01 -2.6418000000e-01  1.7589890000e+00  1.5236400000e+00 -1.1808550000e+00  1.8632300000e+00  3.2333300000e-01  3.2712400000e-01 -1.6657780000e+00 -6.1021200000e-01  8.8980000000e-02 -2.1097660000e+00  2.0366400000e-01  2.7500800000e-01 -2.3478260000e+00 -1.2797840000e+00
-ENERGY -1.526522580755e+02
-FORCES -3.7051000000e-03 -4.9000000000e-05  2.0097000000e-03  6.3400000000e-05 -4.3940000000e-04 -3.7725000000e-03  3.6081000000e-03 -1.2350000000e-04  1.2612000000e-03 -9.4380000000e-04 -4.1500000000e-03  1.1287000000e-03  8.7390000000e-04  1.5371000000e-03 -3.3008000000e-03  1.0340000000e-04  3.2248000000e-03  2.6736000000e-03
-
-JOB 63
-COORDS -6.9156300000e-01  1.4222620000e+00 -1.0354960000e+00 -1.5611630000e+00  1.7370230000e+00 -1.2823840000e+00 -8.2311700000e-01  9.9148300000e-01 -1.9089200000e-01  7.2072900000e-01 -1.4374240000e+00  1.0668600000e+00  1.2800220000e+00 -7.0220000000e-01  8.1612800000e-01  5.1164100000e-01 -1.8726660000e+00  2.4037400000e-01
-ENERGY -1.526567694114e+02
-FORCES -4.8924000000e-03 -1.1800000000e-05  2.7119000000e-03  3.4675000000e-03 -1.3673000000e-03  1.0107000000e-03  1.2225000000e-03  2.5489000000e-03 -4.6412000000e-03  3.3244000000e-03 -1.8610000000e-04 -4.8444000000e-03 -3.5006000000e-03 -2.8091000000e-03  1.7465000000e-03  3.7850000000e-04  1.8254000000e-03  4.0166000000e-03
-
-JOB 64
-COORDS  1.8222390000e+00 -8.2265000000e-02  3.5428100000e-01  1.6847710000e+00  8.2409400000e-01  7.8877000000e-02  2.5496380000e+00 -3.6836000000e-02  9.7481200000e-01 -1.8030320000e+00 -5.1210000000e-03 -3.6681200000e-01 -2.6869850000e+00 -3.0673500000e-01 -1.5731600000e-01 -1.9279810000e+00  8.7340300000e-01 -7.2571900000e-01
-ENERGY -1.526523329052e+02
-FORCES  1.2050000000e-03  4.0500000000e-03  1.3144000000e-03  1.2741000000e-03 -3.2087000000e-03  9.1360000000e-04 -3.0971000000e-03 -4.2240000000e-04 -2.5037000000e-03 -4.2673000000e-03  1.6898000000e-03 -4.1700000000e-04  3.7200000000e-03  1.2556000000e-03 -8.8950000000e-04  1.1654000000e-03 -3.3643000000e-03  1.5822000000e-03
-
-JOB 65
-COORDS  1.8286310000e+00 -1.9613400000e-01 -7.7908200000e-01  1.4768330000e+00  6.8760000000e-01 -6.7192300000e-01  1.0696290000e+00 -7.2964700000e-01 -1.0146940000e+00 -1.7174380000e+00  2.1325400000e-01  7.5197900000e-01 -1.6874600000e+00 -6.2241800000e-01  1.2177970000e+00 -2.6195880000e+00  5.1502100000e-01  8.5825800000e-01
-ENERGY -1.526564233287e+02
-FORCES -6.0975000000e-03  2.2133000000e-03  1.1500000000e-05  2.9343000000e-03 -3.1557000000e-03 -1.0533000000e-03  3.9634000000e-03  8.8220000000e-04  5.3680000000e-04 -4.2987000000e-03 -1.9684000000e-03  3.3707000000e-03 -3.1320000000e-04  3.3964000000e-03 -2.5128000000e-03  3.8117000000e-03 -1.3678000000e-03 -3.5290000000e-04
-
-JOB 66
-COORDS -3.9622400000e-01  3.4285300000e-01  1.9090800000e+00 -5.1635800000e-01 -4.6816700000e-01  1.4150700000e+00  1.3553300000e-01  8.8041000000e-02  2.6630940000e+00  3.7675500000e-01 -2.9817200000e-01 -1.8578530000e+00 -3.5757800000e-01  9.6974000000e-02 -2.3277950000e+00  1.0539090000e+00 -4.1384600000e-01 -2.5244220000e+00
-ENERGY -1.526550428309e+02
-FORCES  2.4533000000e-03 -4.5977000000e-03 -5.7210000000e-04 -6.0820000000e-04  3.0907000000e-03  3.7879000000e-03 -2.0992000000e-03  1.0589000000e-03 -2.7312000000e-03  9.1600000000e-05  2.1762000000e-03 -4.8932000000e-03  2.9895000000e-03 -2.1290000000e-03  1.7453000000e-03 -2.8271000000e-03  4.0080000000e-04  2.6634000000e-03
-
-JOB 67
-COORDS  1.3899410000e+00 -3.8250400000e-01  1.3559090000e+00  1.3915240000e+00 -4.8800700000e-01  4.0454200000e-01  1.7717080000e+00 -1.1949880000e+00  1.6881050000e+00 -1.4029570000e+00  4.8727600000e-01 -1.2791200000e+00 -1.3282010000e+00 -4.4843900000e-01 -1.0918210000e+00 -1.6478650000e+00  5.2816600000e-01 -2.2035550000e+00
-ENERGY -1.526539548201e+02
-FORCES  1.9202000000e-03 -2.5718000000e-03 -2.7210000000e-03  7.7400000000e-05 -1.0122000000e-03  4.3350000000e-03 -1.8870000000e-03  3.2819000000e-03 -1.5188000000e-03 -2.1103000000e-03 -3.3342000000e-03 -2.6726000000e-03  7.7780000000e-04  3.8620000000e-03 -1.4232000000e-03  1.2219000000e-03 -2.2570000000e-04  4.0005000000e-03
-
-JOB 68
-COORDS  6.1892800000e-01  7.1772700000e-01  1.7637730000e+00  1.2191390000e+00  1.2192450000e+00  1.2119940000e+00  1.0751570000e+00 -1.0799400000e-01  1.9258580000e+00 -6.9530400000e-01 -7.6480500000e-01 -1.7414850000e+00 -1.0222560000e+00 -1.0823500000e-01 -1.1264640000e+00 -1.3634200000e-01 -2.7288900000e-01 -2.3429930000e+00
-ENERGY -1.526555378957e+02
-FORCES  5.1143000000e-03 -2.1566000000e-03 -7.1620000000e-04 -2.9985000000e-03 -1.8637000000e-03  1.7480000000e-03 -1.7164000000e-03  3.9106000000e-03 -3.1260000000e-04  2.7940000000e-04  4.8987000000e-03  9.4480000000e-04  1.1777000000e-03 -2.8462000000e-03 -4.1721000000e-03 -1.8564000000e-03 -1.9428000000e-03  2.5081000000e-03
-
-JOB 69
-COORDS  9.8484900000e-01 -2.1369200000e-01  1.7627210000e+00  6.1029100000e-01 -1.0265240000e+00  2.1021960000e+00  1.7341420000e+00 -4.9552000000e-01  1.2379690000e+00 -9.8991200000e-01  2.1591700000e-01 -1.7595260000e+00 -1.2257500000e+00  8.6941900000e-01 -2.4179690000e+00 -1.0637500000e+00  6.7869800000e-01 -9.2489300000e-01
-ENERGY -1.526561164023e+02
-FORCES  2.1708000000e-03 -5.1875000000e-03 -9.0670000000e-04  1.4808000000e-03  3.5038000000e-03 -1.1896000000e-03 -2.8873000000e-03  1.2847000000e-03  2.7178000000e-03 -1.0328000000e-03  4.6737000000e-03  1.6220000000e-03  9.8960000000e-04 -2.5759000000e-03  2.5807000000e-03 -7.2100000000e-04 -1.6988000000e-03 -4.8242000000e-03
-
-JOB 70
-COORDS  7.5220300000e-01 -1.1143340000e+00  1.6307310000e+00  1.2650560000e+00 -1.3494570000e+00  8.5747200000e-01  7.7658600000e-01 -1.5770600000e-01  1.6530980000e+00 -7.9845900000e-01  1.0289650000e+00 -1.5416570000e+00 -5.3758000000e-02  1.6292240000e+00 -1.5050300000e+00 -1.2258110000e+00  1.2273000000e+00 -2.3748830000e+00
-ENERGY -1.526539932056e+02
-FORCES  7.9600000000e-04  3.2121000000e-03 -4.2729000000e-03 -1.1834000000e-03  7.2910000000e-04  3.6233000000e-03  8.3400000000e-04 -3.6307000000e-03  5.6540000000e-04  2.7450000000e-04  3.4114000000e-03 -3.9432000000e-03 -2.6567000000e-03 -2.9436000000e-03  5.2980000000e-04  1.9356000000e-03 -7.7840000000e-04  3.4975000000e-03
-
-JOB 71
-COORDS  2.8813000000e-01  1.9035830000e+00  1.2687870000e+00  3.8013000000e-02  9.8889300000e-01  1.3992270000e+00  8.5292000000e-02  2.0791580000e+00  3.4995000000e-01 -2.4027400000e-01 -1.9135860000e+00 -1.1796840000e+00  3.0127400000e-01 -1.2966970000e+00 -1.6720300000e+00 -1.1389610000e+00 -1.6909080000e+00 -1.4226000000e+00
-ENERGY -1.526546010080e+02
-FORCES -1.8048000000e-03 -3.5727000000e-03 -2.7922000000e-03  9.2330000000e-04  4.6335000000e-03 -4.6680000000e-04  8.5180000000e-04 -6.6720000000e-04  3.3496000000e-03 -1.3060000000e-03  2.0830000000e-03 -4.1540000000e-03 -2.6388000000e-03 -2.0562000000e-03  2.6143000000e-03  3.9745000000e-03 -4.2040000000e-04  1.4491000000e-03
-
-JOB 72
-COORDS -3.1984300000e-01 -2.1767060000e+00  5.4636200000e-01 -1.2307660000e+00 -2.0486460000e+00  8.1103600000e-01 -3.4232900000e-01 -2.9413750000e+00 -2.8969000000e-02  3.4681000000e-01  2.1852940000e+00 -5.8989000000e-01  1.2297360000e+00  2.0209990000e+00 -2.5870900000e-01 -3.4008000000e-02  2.8004010000e+00  3.6889000000e-02
-ENERGY -1.526539841705e+02
-FORCES -4.1103000000e-03 -1.9837000000e-03 -1.8836000000e-03  3.6713000000e-03 -8.8130000000e-04 -6.9210000000e-04  1.7850000000e-04  2.9353000000e-03  2.4718000000e-03  2.3421000000e-03  8.7590000000e-04  4.2039000000e-03 -3.4184000000e-03  1.4277000000e-03 -1.5253000000e-03  1.3368000000e-03 -2.3739000000e-03 -2.5746000000e-03
-
-JOB 73
-COORDS  9.3037500000e-01 -1.8676720000e+00  1.0110930000e+00  1.7433340000e+00 -1.6652530000e+00  1.4740800000e+00  4.0687600000e-01 -2.3550350000e+00  1.6472200000e+00 -9.0576800000e-01  1.8285510000e+00 -1.0752020000e+00 -1.2183550000e+00  2.3472010000e+00 -3.3390400000e-01 -1.2870990000e+00  2.2537170000e+00 -1.8433510000e+00
-ENERGY -1.526529845491e+02
-FORCES  1.0989000000e-03 -7.8460000000e-04  4.1763000000e-03 -3.3038000000e-03 -9.4160000000e-04 -1.7855000000e-03  2.1240000000e-03  1.9641000000e-03 -2.5561000000e-03 -2.7650000000e-03  3.4615000000e-03  8.7900000000e-05  1.2437000000e-03 -1.9270000000e-03 -3.0531000000e-03  1.6023000000e-03 -1.7723000000e-03  3.1305000000e-03
-
-JOB 74
-COORDS  7.2866900000e-01  1.8781920000e+00 -1.1921940000e+00 -1.3216000000e-02  2.4503820000e+00 -9.9613900000e-01  1.4875440000e+00  2.3373510000e+00 -8.3231200000e-01 -7.0176400000e-01 -1.9277570000e+00  1.2232680000e+00 -6.9035800000e-01 -2.7628460000e+00  7.5558400000e-01 -1.1767570000e+00 -1.3337060000e+00  6.4213400000e-01
-ENERGY -1.526545253062e+02
-FORCES  7.7690000000e-04  4.3668000000e-03  2.5872000000e-03  2.7492000000e-03 -2.6667000000e-03 -8.3580000000e-04 -3.1898000000e-03 -1.6260000000e-03 -1.7203000000e-03 -1.2693000000e-03 -4.6190000000e-04 -4.9634000000e-03 -1.7670000000e-04  3.1434000000e-03  2.0547000000e-03  1.1098000000e-03 -2.7555000000e-03  2.8775000000e-03
-
-JOB 75
-COORDS -5.0413500000e-01 -2.0195050000e+00  1.2762450000e+00 -5.5366600000e-01 -1.1165860000e+00  9.6237500000e-01  3.9639500000e-01 -2.1169360000e+00  1.5857360000e+00  4.3488900000e-01  2.0066950000e+00 -1.2184860000e+00  6.2805000000e-02  1.2472800000e+00 -1.6668980000e+00  1.1520040000e+00  2.2921140000e+00 -1.7846250000e+00
-ENERGY -1.526549380766e+02
-FORCES  3.5648000000e-03  3.7842000000e-03  6.1130000000e-04 -7.4800000000e-05 -4.3508000000e-03  6.6150000000e-04 -3.6372000000e-03  9.3800000000e-05 -1.3523000000e-03  1.5465000000e-03 -1.0927000000e-03 -5.0115000000e-03  1.6026000000e-03  2.8102000000e-03  2.7208000000e-03 -3.0018000000e-03 -1.2447000000e-03  2.3702000000e-03
-
-JOB 76
-COORDS -5.1205300000e-01 -1.9595570000e+00  1.4906740000e+00 -1.5517100000e-01 -1.2429870000e+00  9.6589400000e-01 -6.6232600000e-01 -2.6656300000e+00  8.6209500000e-01  4.9738600000e-01  1.9977270000e+00 -1.3729080000e+00 -2.3043300000e-01  1.5178970000e+00 -1.7682250000e+00  1.2555350000e+00  1.7697500000e+00 -1.9109290000e+00
-ENERGY -1.526543739979e+02
-FORCES  1.0989000000e-03  4.8340000000e-04 -4.3367000000e-03 -1.8053000000e-03 -3.7541000000e-03  1.9167000000e-03  5.7050000000e-04  2.9393000000e-03  2.3731000000e-03  1.6790000000e-04 -1.6452000000e-03 -4.5299000000e-03  3.2784000000e-03  1.3650000000e-03  2.1266000000e-03 -3.3104000000e-03  6.1160000000e-04  2.4502000000e-03
-
-JOB 77
-COORDS  1.0720720000e+00 -1.4189280000e+00 -1.8290360000e+00  9.0610800000e-01 -1.9022710000e+00 -2.6383980000e+00  1.5119290000e+00 -2.0495050000e+00 -1.2588330000e+00 -1.0373160000e+00  1.4853530000e+00  1.7952890000e+00 -1.8967870000e+00  1.9055810000e+00  1.8260870000e+00 -1.0095800000e+00  9.3792200000e-01  2.5800070000e+00
-ENERGY -1.526531955470e+02
-FORCES  1.0476000000e-03 -4.2937000000e-03 -6.7320000000e-04  6.3930000000e-04  2.0033000000e-03  3.2761000000e-03 -1.7452000000e-03  2.4139000000e-03 -2.3989000000e-03 -3.3913000000e-03 -7.2150000000e-04  2.8954000000e-03  3.5013000000e-03 -1.6385000000e-03 -2.2800000000e-05 -5.1700000000e-05  2.2364000000e-03 -3.0767000000e-03
-
-JOB 78
-COORDS -9.7916500000e-01  1.7959800000e-01 -2.3765440000e+00 -1.4572170000e+00  9.0924500000e-01 -1.9824470000e+00 -5.0185000000e-01  5.7226800000e-01 -3.1074430000e+00  9.4873000000e-01 -2.6655900000e-01  2.3458700000e+00  8.9669200000e-01  6.1008200000e-01  2.7266890000e+00  1.5398230000e+00 -7.4576700000e-01  2.9265590000e+00
-ENERGY -1.526533528358e+02
-FORCES  2.7200000000e-04  4.4707000000e-03 -7.5620000000e-04  1.7617000000e-03 -2.7934000000e-03 -1.8901000000e-03 -1.9864000000e-03 -1.5984000000e-03  2.8554000000e-03  2.2467000000e-03  1.3829000000e-03  3.7410000000e-03  1.2100000000e-04 -3.4735000000e-03 -1.6139000000e-03 -2.4150000000e-03  2.0117000000e-03 -2.3362000000e-03
-
-JOB 79
-COORDS -7.6795900000e-01 -1.0782550000e+00 -3.0190270000e+00 -3.4735000000e-02 -1.3203950000e+00 -2.4533570000e+00 -1.4811230000e+00 -8.7509900000e-01 -2.4137520000e+00  7.6875000000e-01  1.1534980000e+00  2.9655650000e+00  1.2677350000e+00  4.8660900000e-01  3.4372690000e+00  2.2560600000e-01  6.5800600000e-01  2.3526100000e+00
-ENERGY -1.526536298943e+02
-FORCES  8.5200000000e-05 -7.1100000000e-05  4.4915000000e-03 -3.1064000000e-03  9.7290000000e-04 -2.0986000000e-03  3.0344000000e-03 -8.9180000000e-04 -2.2803000000e-03 -1.0720000000e-04 -4.6139000000e-03 -2.8380000000e-04 -2.1035000000e-03  2.7058000000e-03 -2.0726000000e-03  2.1976000000e-03  1.8981000000e-03  2.2437000000e-03
-
-JOB 80
-COORDS  9.7654900000e-01  1.1783130000e+00 -2.9396540000e+00  8.3544800000e-01  1.9018570000e+00 -2.3290750000e+00  7.7040100000e-01  1.5458800000e+00 -3.7990900000e+00 -9.3287800000e-01 -1.2108780000e+00  2.9041710000e+00 -1.6834160000e+00 -1.8048090000e+00  2.9172970000e+00 -6.2771100000e-01 -1.1896940000e+00  3.8111740000e+00
-ENERGY -1.526539264751e+02
-FORCES -1.5191000000e-03  4.3678000000e-03 -6.4950000000e-04  6.6190000000e-04 -2.7920000000e-03 -2.7400000000e-03  8.4960000000e-04 -1.5194000000e-03  3.4364000000e-03 -1.7494000000e-03 -2.5167000000e-03  3.5962000000e-03  3.0183000000e-03  2.4745000000e-03  3.9500000000e-05 -1.2612000000e-03 -1.4100000000e-05 -3.6827000000e-03
-
-JOB 81
-COORDS -4.6631900000e-01  3.1853380000e+00  8.7433600000e-01 -1.0874480000e+00  3.7059640000e+00  1.3836280000e+00 -7.4680200000e-01  3.2979390000e+00 -3.3894000000e-02  4.6452200000e-01 -3.2427290000e+00 -8.8998700000e-01  1.3439670000e+00 -3.6206230000e+00 -8.9216200000e-01  5.1260400000e-01 -2.5265920000e+00 -2.5668800000e-01
-ENERGY -1.526544992266e+02
-FORCES -3.7740000000e-03  2.7389000000e-03 -1.6622000000e-03  2.5527000000e-03 -2.1321000000e-03 -2.0714000000e-03  1.1945000000e-03 -4.9380000000e-04  3.7561000000e-03  3.7897000000e-03  1.5554000000e-03  2.7084000000e-03 -3.5593000000e-03  1.4593000000e-03 -4.1300000000e-05 -2.0370000000e-04 -3.1277000000e-03 -2.6895000000e-03
-
-JOB 82
-COORDS -9.5928200000e-01 -3.6734350000e+00 -1.3799890000e+00 -4.4325400000e-01 -4.3881000000e+00 -1.7530850000e+00 -5.5422900000e-01 -3.5035260000e+00 -5.2952200000e-01  9.0948700000e-01  3.6395710000e+00  1.3654800000e+00  9.8749400000e-01  4.3334160000e+00  2.0202510000e+00  8.4378600000e-01  4.1035360000e+00  5.3082300000e-01
-ENERGY -1.526541599943e+02
-FORCES  3.8057000000e-03 -2.0514000000e-03  2.0551000000e-03 -2.1172000000e-03  2.8716000000e-03  1.4769000000e-03 -1.6777000000e-03 -8.5180000000e-04 -3.5144000000e-03 -4.1500000000e-05  4.7350000000e-03 -8.1740000000e-04 -2.9210000000e-04 -2.8435000000e-03 -2.6462000000e-03  3.2280000000e-04 -1.8599000000e-03  3.4461000000e-03
-
-JOB 83
-COORDS  1.0330100000e+00  4.3792490000e+00  3.0271000000e-01  8.9277100000e-01  5.0868290000e+00  9.3191200000e-01  1.9229980000e+00  4.0741910000e+00  4.7904100000e-01 -1.0531740000e+00 -4.3568380000e+00 -3.1326100000e-01 -5.9993500000e-01 -5.1546770000e+00 -5.8576900000e-01 -1.9197100000e+00 -4.4242130000e+00 -7.1427000000e-01
-ENERGY -1.526540024873e+02
-FORCES  3.0463000000e-03  1.4836000000e-03  3.3287000000e-03  5.6690000000e-04 -2.8398000000e-03 -2.5822000000e-03 -3.5995000000e-03  1.3385000000e-03 -7.3610000000e-04 -1.7244000000e-03 -3.4280000000e-03 -2.7974000000e-03 -1.8269000000e-03  3.2365000000e-03  1.1336000000e-03  3.5376000000e-03  2.0920000000e-04  1.6535000000e-03
-
-JOB 84
-COORDS  5.5599900000e-01  1.8105720000e+00  4.3885760000e+00 -1.0169200000e-01  1.5172570000e+00  5.0191640000e+00  2.8859000000e-01  1.4124390000e+00  3.5601960000e+00 -5.1812200000e-01 -1.7932700000e+00 -4.3290050000e+00 -3.0329500000e-01 -2.1863160000e+00 -5.1749330000e+00 -3.0300600000e-01 -8.6642300000e-01 -4.4334640000e+00
-ENERGY -1.526541925443e+02
-FORCES -3.7809000000e-03 -2.8998000000e-03 -8.3240000000e-04  2.6806000000e-03  1.2255000000e-03 -2.5431000000e-03  1.1011000000e-03  1.6896000000e-03  3.3910000000e-03  1.7843000000e-03  2.1486000000e-03 -3.9548000000e-03 -8.8550000000e-04  1.6105000000e-03  3.4576000000e-03 -8.9960000000e-04 -3.7745000000e-03  4.8170000000e-04
-
-JOB 85
-COORDS  2.8739600000e-01  4.8299120000e+00 -6.9168000000e-01  9.7876700000e-01  4.1801890000e+00 -5.6480100000e-01 -4.5919200000e-01  4.3258270000e+00 -1.0153080000e+00 -3.1382400000e-01 -4.7230050000e+00  6.6503500000e-01  4.8607000000e-02 -4.6612920000e+00  1.5488150000e+00 -1.7263200000e-01 -5.6349850000e+00  4.1089100000e-01
-ENERGY -1.526542237984e+02
-FORCES -2.5910000000e-04 -4.7904000000e-03 -8.1920000000e-04 -2.7743000000e-03  2.6991000000e-03 -4.9670000000e-04  3.0399000000e-03  2.1158000000e-03  1.3164000000e-03  2.0195000000e-03 -3.5637000000e-03  2.5903000000e-03 -1.4623000000e-03 -2.0090000000e-04 -3.6251000000e-03 -5.6370000000e-04  3.7400000000e-03  1.0344000000e-03
-
-JOB 86
-COORDS -8.1250000000e-03 -4.1857270000e+00  3.2694580000e+00  3.0455100000e-01 -4.4702440000e+00  2.4106710000e+00  6.5367500000e-01 -4.5040910000e+00  3.8833770000e+00  3.3759000000e-02  4.2086080000e+00 -3.2470620000e+00 -6.3414600000e-01  3.5448020000e+00 -3.0753160000e+00 -4.5556600000e-01  4.9608340000e+00 -3.5801500000e+00
-ENERGY -1.526541170700e+02
-FORCES  4.0237000000e-03 -2.4368000000e-03 -9.8870000000e-04 -1.3070000000e-03  1.1507000000e-03  3.4941000000e-03 -2.7135000000e-03  1.2824000000e-03 -2.5004000000e-03 -4.7461000000e-03  3.5950000000e-04 -5.9920000000e-04  2.7385000000e-03  2.7065000000e-03 -7.4390000000e-04  2.0045000000e-03 -3.0623000000e-03  1.3381000000e-03
-
-JOB 87
-COORDS -3.9556320000e+00 -2.4231300000e+00 -3.0758770000e+00 -3.3124560000e+00 -2.2891000000e+00 -3.7720050000e+00 -4.0364810000e+00 -3.3741740000e+00 -3.0036960000e+00  3.9439200000e+00  2.4342110000e+00  3.1638850000e+00  4.1115000000e+00  3.3459130000e+00  2.9252430000e+00  3.4409990000e+00  2.0824210000e+00  2.4293470000e+00
-ENERGY -1.526540976039e+02
-FORCES  2.2445000000e-03 -3.3800000000e-03 -2.5512000000e-03 -2.5968000000e-03 -5.1540000000e-04  2.8552000000e-03  3.4520000000e-04  3.8942000000e-03 -3.0050000000e-04 -1.4312000000e-03  2.2905000000e-03 -3.9556000000e-03 -6.5790000000e-04 -3.7184000000e-03  9.6880000000e-04  2.0963000000e-03  1.4291000000e-03  2.9833000000e-03
-
-JOB 88
-COORDS  1.3607800000e-01  4.5281900000e+00  3.2415430000e+00 -7.4537500000e-01  4.8362030000e+00  3.0308310000e+00  5.0641600000e-01  5.2184960000e+00  3.7915970000e+00 -6.4825000000e-02 -4.6048640000e+00 -3.2203420000e+00 -8.5268300000e-01 -4.1096180000e+00 -2.9961930000e+00 -1.2376500000e-01 -4.7340320000e+00 -4.1669540000e+00
-ENERGY -1.526540287131e+02
-FORCES -2.0525000000e-03  4.0640000000e-03  1.4042000000e-03  3.5831000000e-03 -1.2618000000e-03  8.4450000000e-04 -1.5241000000e-03 -2.8096000000e-03 -2.2498000000e-03 -3.4307000000e-03  1.5551000000e-03 -2.9018000000e-03  3.1893000000e-03 -2.0559000000e-03 -9.4650000000e-04  2.3500000000e-04  5.0830000000e-04  3.8495000000e-03
-
-JOB 89
-COORDS -8.8751700000e-01  1.9865390000e+00  5.3403980000e+00 -1.7435970000e+00  1.7284610000e+00  4.9987040000e+00 -1.0550650000e+00  2.7980930000e+00  5.8195000000e+00  9.0860600000e-01 -2.0590050000e+00 -5.3900250000e+00  1.6521950000e+00 -2.2032790000e+00 -4.8047960000e+00  6.5234200000e-01 -1.1502290000e+00 -5.2329050000e+00
-ENERGY -1.526541290917e+02
-FORCES -4.1983000000e-03  2.2471000000e-03  6.1890000000e-04  3.5090000000e-03  1.0601000000e-03  1.3636000000e-03  6.9030000000e-04 -3.3062000000e-03 -1.9743000000e-03  2.0120000000e-03  3.1163000000e-03  3.0638000000e-03 -3.0368000000e-03  5.8390000000e-04 -2.4102000000e-03  1.0237000000e-03 -3.7012000000e-03 -6.6180000000e-04
-
-JOB 0
-COORDS -3.9237800000e-01 -5.5277800000e-01 -1.0713120000e+00 -1.1923690000e+00 -2.9504000000e-02 -1.0220070000e+00  1.3066600000e-01 -1.2807300000e-01 -1.7512250000e+00  3.7921400000e-01  4.7055300000e-01  1.1560900000e+00  2.8742100000e-01  2.9034900000e-01  2.2049800000e-01  1.0710690000e+00  1.1301040000e+00  1.2067040000e+00
-ENERGY -1.526537825208e+02
-FORCES -8.6370000000e-04  4.0950000000e-03  6.7951000000e-03  7.5717000000e-03 -1.3136000000e-03  1.2109000000e-03 -1.2041000000e-03  2.4480000000e-04  8.5783000000e-03 -4.5509000000e-03 -9.8891000000e-03 -1.6786400000e-02  1.5483000000e-03  9.8291000000e-03  4.4704000000e-03 -2.5014000000e-03 -2.9662000000e-03 -4.2682000000e-03
-
-JOB 1
-COORDS  6.2959900000e-01 -7.0565000000e-02  1.0961450000e+00  8.7955600000e-01 -9.8738000000e-01  9.8124500000e-01  2.2674900000e-01 -3.8584000000e-02  1.9638560000e+00 -5.9924800000e-01  8.5463000000e-02 -1.1928410000e+00 -1.3126200000e-01  1.6905200000e-01 -3.6203800000e-01 -1.4351700000e+00  5.2703100000e-01 -1.0428980000e+00
-ENERGY -1.526579220737e+02
-FORCES -7.6627000000e-03 -2.1389000000e-03 -7.6199000000e-03 -2.4836000000e-03  5.8699000000e-03  4.5710000000e-04  2.2257000000e-03 -1.3356000000e-03 -4.2771000000e-03  7.3682000000e-03  1.7191000000e-03  1.8853700000e-02 -1.8498000000e-03 -2.9883000000e-03 -8.4889000000e-03  2.4021000000e-03 -1.1263000000e-03  1.0750000000e-03
-
-JOB 2
-COORDS  5.4911600000e-01 -1.2056530000e+00  1.3145800000e-01 -1.1126900000e-01 -1.8885930000e+00  1.4343000000e-02  6.6939000000e-02 -3.8527900000e-01  2.7903000000e-02 -4.7777800000e-01  1.1280190000e+00 -1.2893600000e-01  8.2126000000e-02  1.8086130000e+00 -5.0247500000e-01 -1.1141350000e+00  1.6059220000e+00  4.0293800000e-01
-ENERGY -1.526578099377e+02
-FORCES -9.1731000000e-03  1.7955000000e-02 -2.2656000000e-03  1.9270000000e-04  3.6324000000e-03  5.8720000000e-04  2.6907000000e-03 -6.8003000000e-03 -4.1420000000e-04  7.0315000000e-03 -1.1837700000e-02  2.8094000000e-03 -4.3180000000e-03 -2.0179000000e-03  2.8896000000e-03  3.5763000000e-03 -9.3150000000e-04 -3.6064000000e-03
-
-JOB 3
-COORDS  6.0676600000e-01  2.3753100000e-01 -1.2164880000e+00  9.3762600000e-01 -6.3546800000e-01 -1.0052160000e+00  3.3531000000e-02  4.6088100000e-01 -4.8317500000e-01 -5.5640700000e-01 -1.5418800000e-01  1.1297200000e+00 -1.4949910000e+00 -3.1598900000e-01  1.0342640000e+00 -2.7518300000e-01 -7.6674900000e-01  1.8093630000e+00
-ENERGY -1.526559042477e+02
-FORCES -5.6695000000e-03 -5.8619000000e-03  1.7511200000e-02  9.9720000000e-04  8.8300000000e-04 -2.2864000000e-03 -2.8680000000e-03  3.6696000000e-03 -5.1093000000e-03  4.5042000000e-03 -1.6132000000e-03 -5.8956000000e-03  5.6480000000e-03  1.0378000000e-03 -6.0090000000e-04 -2.6119000000e-03  1.8847000000e-03 -3.6190000000e-03
-
-JOB 4
-COORDS -6.2393400000e-01 -1.1952970000e+00  1.6270600000e-01 -3.7377300000e-01 -3.1278800000e-01 -1.1084100000e-01 -1.5471060000e+00 -1.2689210000e+00 -7.9297000000e-02  6.7762100000e-01  1.0831350000e+00 -1.6004900000e-01  1.3304650000e+00  1.6628840000e+00  2.3227400000e-01 -1.4684300000e-01  1.5633330000e+00 -8.3234000000e-02
-ENERGY -1.526529965195e+02
-FORCES  8.0220000000e-03  9.0431000000e-03 -1.9521000000e-03 -9.4634000000e-03  1.6724000000e-03 -6.9060000000e-04  3.8393000000e-03  3.6361000000e-03  5.7510000000e-04 -8.0310000000e-04 -4.7955000000e-03  5.3571000000e-03 -3.9894000000e-03 -1.0280000000e-03 -2.4694000000e-03  2.3945000000e-03 -8.5280000000e-03 -8.2010000000e-04
-
-JOB 5
-COORDS  8.6617000000e-02 -7.5206800000e-01  1.0541400000e+00 -2.9185800000e-01 -1.4482300000e-01  1.6899400000e+00 -3.7912100000e-01 -1.5751910000e+00  1.2017510000e+00 -2.8035000000e-02  7.7123900000e-01 -1.1693350000e+00  5.4131000000e-02 -2.4329000000e-02 -6.4345300000e-01 -2.6388200000e-01  1.4521210000e+00 -5.3924900000e-01
-ENERGY -1.526571263740e+02
-FORCES -3.4023000000e-03  4.6161000000e-03 -1.6157000000e-03  1.4515000000e-03 -2.8239000000e-03 -3.6648000000e-03  1.9819000000e-03  4.9067000000e-03 -1.4477000000e-03  6.4360000000e-04 -8.0538000000e-03  1.5469100000e-02 -7.7520000000e-04  2.0633000000e-03 -7.5847000000e-03  1.0060000000e-04 -7.0850000000e-04 -1.1562000000e-03
-
-JOB 6
-COORDS  7.2520000000e-02  1.2915500000e+00 -2.0016000000e-02  6.2130900000e-01  1.8472330000e+00 -5.7344100000e-01 -7.3900100000e-01  1.7874700000e+00  8.8285000000e-02 -1.8048000000e-02 -1.3943020000e+00  2.5404000000e-02 -8.8598700000e-01 -1.5507790000e+00  3.9746400000e-01  8.5266000000e-02 -4.4298900000e-01  4.9092000000e-02
-ENERGY -1.526593114316e+02
-FORCES -1.1940000000e-03 -5.5673000000e-03 -2.2497000000e-03 -3.8870000000e-03 -1.4958000000e-03  2.9849000000e-03  4.3478000000e-03 -1.8112000000e-03 -9.7010000000e-04 -1.1138000000e-03  1.5908700000e-02  5.3560000000e-04  1.9124000000e-03  1.4969000000e-03 -1.0214000000e-03 -6.5300000000e-05 -8.5314000000e-03  7.2070000000e-04
-
-JOB 7
-COORDS  7.6805400000e-01  8.9229700000e-01 -7.5719200000e-01  3.5818700000e-01  2.5283400000e-01 -1.7467500000e-01  1.5217200000e-01  1.6246620000e+00 -7.8092500000e-01 -6.6080400000e-01 -8.5680800000e-01  7.4544400000e-01 -1.5951160000e+00 -6.5311100000e-01  7.0301700000e-01 -5.9618400000e-01 -1.7554650000e+00  4.2222500000e-01
-ENERGY -1.526595788960e+02
-FORCES -9.9664000000e-03 -8.6702000000e-03  9.9894000000e-03  5.6426000000e-03  5.3753000000e-03 -6.0293000000e-03  7.7570000000e-04 -2.3979000000e-03  2.7500000000e-04 -4.3480000000e-04  1.6539000000e-03 -5.4345000000e-03  4.8982000000e-03 -1.1752000000e-03 -2.5540000000e-04 -9.1530000000e-04  5.2141000000e-03  1.4549000000e-03
-
-JOB 8
-COORDS -7.2657100000e-01  4.1191400000e-01  1.1497810000e+00 -8.2592000000e-01 -5.2848400000e-01  1.2981450000e+00 -3.8540000000e-01  4.7945200000e-01  2.5800000000e-01  7.0120200000e-01 -3.2523800000e-01 -1.0504900000e+00  9.3168100000e-01  3.3029000000e-02 -1.9076700000e+00  6.7048300000e-01 -1.2722190000e+00 -1.1865600000e+00
-ENERGY -1.526578050607e+02
-FORCES  7.8348000000e-03 -6.4672000000e-03 -1.1651700000e-02 -1.6450000000e-04  1.7555000000e-03  2.7820000000e-04 -4.4711000000e-03  4.0448000000e-03  4.5531000000e-03 -1.8131000000e-03 -1.9648000000e-03  2.0174000000e-03 -1.5268000000e-03 -2.0927000000e-03  4.4949000000e-03  1.4070000000e-04  4.7244000000e-03  3.0810000000e-04
-
-JOB 9
-COORDS  1.2539800000e+00 -1.8508800000e-01 -3.8953300000e-01  1.6368910000e+00 -9.1709900000e-01  9.3966000000e-02  1.7322350000e+00  5.8383300000e-01 -7.9268000000e-02 -1.3433340000e+00  2.1872300000e-01  3.9460500000e-01 -4.0015000000e-01  1.0436900000e-01  2.7816500000e-01 -1.7337790000e+00 -2.2794400000e-01 -3.5657500000e-01
-ENERGY -1.526601150103e+02
-FORCES  3.7470000000e-04  4.4770000000e-04  1.9653000000e-03 -3.0928000000e-03  4.6927000000e-03 -1.9400000000e-03 -4.1722000000e-03 -4.8228000000e-03 -3.2130000000e-04  1.3852300000e-02 -3.7983000000e-03 -8.0078000000e-03 -7.4066000000e-03  2.6473000000e-03  6.0352000000e-03  4.4460000000e-04  8.3340000000e-04  2.2686000000e-03
-
-JOB 10
-COORDS -6.8950000000e-01  8.4061600000e-01 -7.4689000000e-01 -5.0550100000e-01  1.6196090000e+00 -1.2718150000e+00 -1.2328460000e+00  2.9252300000e-01 -1.3131070000e+00  7.7186600000e-01 -8.6418600000e-01  7.9591800000e-01  1.5677800000e-01 -1.2960740000e+00  1.3886840000e+00  2.3442100000e-01 -2.4523000000e-01  3.0167300000e-01
-ENERGY -1.526603512489e+02
-FORCES  3.9401000000e-03 -1.5242000000e-03 -5.7520000000e-04 -2.5868000000e-03 -4.1726000000e-03  1.1196000000e-03  3.0231000000e-03  2.9169000000e-03  3.3020000000e-03 -7.7141000000e-03  9.3887000000e-03 -5.7612000000e-03  6.8230000000e-04  1.5852000000e-03 -2.8680000000e-03  2.6554000000e-03 -8.1940000000e-03  4.7828000000e-03
-
-JOB 11
-COORDS -9.2487100000e-01 -1.0592410000e+00  4.6672000000e-02 -1.5172000000e+00 -8.3145300000e-01  7.6325400000e-01 -2.0235700000e-01 -4.3632900000e-01  1.2532000000e-01  8.8656800000e-01  9.5099000000e-01 -7.9395000000e-02  9.7423800000e-01  1.4277060000e+00 -9.0479600000e-01  1.3067870000e+00  1.5153950000e+00  5.6952300000e-01
-ENERGY -1.526601026613e+02
-FORCES  8.1522000000e-03  1.1517700000e-02  1.3232000000e-03  2.1664000000e-03 -1.0550000000e-04 -1.5825000000e-03 -5.1513000000e-03 -6.8293000000e-03  6.0920000000e-04 -3.8026000000e-03 -2.0905000000e-03 -1.5035000000e-03  9.2720000000e-04 -7.9590000000e-04  5.0568000000e-03 -2.2919000000e-03 -1.6965000000e-03 -3.9032000000e-03
-
-JOB 12
-COORDS  6.2327800000e-01  9.8440000000e-01 -8.2222200000e-01  1.4281580000e+00  5.0362300000e-01 -6.2921000000e-01 -5.7620000000e-02  5.1627000000e-01 -3.3904100000e-01 -6.5552800000e-01 -8.8990700000e-01  7.3107600000e-01 -3.3304500000e-01 -5.8948400000e-01  1.5807720000e+00 -5.8381300000e-01 -1.8435940000e+00  7.7069900000e-01
-ENERGY -1.526583059062e+02
-FORCES -4.5827000000e-03 -1.2693300000e-02  6.6461000000e-03 -8.8070000000e-04  2.0525000000e-03 -4.1670000000e-04  2.1106000000e-03  7.6408000000e-03 -4.8570000000e-04  3.4725000000e-03 -4.7500000000e-04 -1.5987000000e-03 -5.4900000000e-04 -1.1329000000e-03 -5.7251000000e-03  4.2920000000e-04  4.6079000000e-03  1.5800000000e-03
-
-JOB 13
-COORDS -1.6327700000e-01 -2.6205100000e-01 -1.3939010000e+00 -1.3817200000e-01  1.1433300000e-01 -5.1416400000e-01 -7.7276900000e-01 -9.9673900000e-01 -1.3233000000e+00  2.0775300000e-01  2.7184600000e-01  1.2667490000e+00  1.9053700000e-01 -3.7964600000e-01  1.9678140000e+00  4.9783000000e-02  1.1054630000e+00  1.7098740000e+00
-ENERGY -1.526594224032e+02
-FORCES  1.4770000000e-04  5.6210000000e-04  1.4102100000e-02 -1.7842000000e-03  1.1748000000e-03 -8.3094000000e-03  1.8331000000e-03  1.5500000000e-03 -7.5000000000e-06 -3.9100000000e-04 -2.8622000000e-03 -1.4285000000e-03 -3.3620000000e-04  4.3086000000e-03 -2.1293000000e-03  5.3060000000e-04 -4.7333000000e-03 -2.2274000000e-03
-
-JOB 14
-COORDS  1.0886520000e+00  3.1160000000e-03  7.5210600000e-01  2.0217810000e+00  2.1397100000e-01  7.1981900000e-01  1.0442610000e+00 -8.1379200000e-01  1.2490180000e+00 -1.1823250000e+00  7.7675000000e-02 -8.0960100000e-01 -3.3035300000e-01  2.5121100000e-01 -4.0927500000e-01 -1.3170400000e+00 -8.6232400000e-01 -6.8924700000e-01
-ENERGY -1.526593117555e+02
-FORCES -1.2426000000e-03 -2.1069000000e-03 -8.0110000000e-04 -4.4756000000e-03 -1.9719000000e-03  9.1730000000e-04  9.2990000000e-04  3.6900000000e-03 -2.9999000000e-03  1.1490400000e-02 -2.3427000000e-03  7.2990000000e-03 -6.8306000000e-03  6.0970000000e-04 -4.6882000000e-03  1.2840000000e-04  2.1218000000e-03  2.7290000000e-04
-
-JOB 15
-COORDS  9.0294500000e-01  3.2543000000e-02  9.9117400000e-01  3.6009800000e-01  4.6203300000e-01  1.6523000000e+00  1.7010230000e+00  5.5989200000e-01  9.5642600000e-01 -9.1187300000e-01 -1.2365100000e-01 -1.0843720000e+00 -3.9670600000e-01 -1.6097900000e-01 -2.7849300000e-01 -1.5677250000e+00  5.5360300000e-01 -9.1879200000e-01
-ENERGY -1.526583999130e+02
-FORCES  1.4568000000e-03  3.9574000000e-03 -3.0168000000e-03  9.4260000000e-04 -1.9070000000e-03 -6.1809000000e-03 -4.0488000000e-03 -2.1702000000e-03  2.2620000000e-03  8.5433000000e-03  1.8719000000e-03  9.5728000000e-03 -9.6934000000e-03  3.0000000000e-05 -3.6787000000e-03  2.7996000000e-03 -1.7821000000e-03  1.0416000000e-03
-
-JOB 16
-COORDS  5.6451000000e-02  1.3545940000e+00 -4.5360100000e-01  1.4210100000e-01  4.2798000000e-01 -2.2936500000e-01  9.2429000000e-01  1.6062980000e+00 -7.6940500000e-01 -1.0316300000e-01 -1.2568640000e+00  4.7260400000e-01 -9.0076700000e-01 -1.7228880000e+00  2.2184400000e-01  5.8023800000e-01 -1.9269720000e+00  4.6032000000e-01
-ENERGY -1.526608268328e+02
-FORCES  1.3890000000e-03 -1.1164000000e-02  3.8221000000e-03  1.0515000000e-03  9.6451000000e-03 -4.4553000000e-03 -2.1413000000e-03 -2.1929000000e-03  1.3225000000e-03 -1.4730000000e-03 -7.9220000000e-04 -1.6099000000e-03  4.8675000000e-03  1.3056000000e-03  1.3812000000e-03 -3.6937000000e-03  3.1983000000e-03 -4.6070000000e-04
-
-JOB 17
-COORDS -3.6621500000e-01  1.2332770000e+00 -6.4746500000e-01 -1.8182500000e-01  4.5279800000e-01 -1.2488900000e-01 -5.6936000000e-02  1.0124450000e+00 -1.5259930000e+00  3.8876400000e-01 -1.1366810000e+00  6.2828300000e-01  1.7085500000e-01 -1.0777870000e+00  1.5584870000e+00 -1.7048500000e-01 -1.8382660000e+00  2.9474000000e-01
-ENERGY -1.526605748617e+02
-FORCES  6.2102000000e-03 -1.2445900000e-02  3.8852000000e-03 -5.0785000000e-03  8.6151000000e-03 -2.9255000000e-03 -1.4286000000e-03  2.5170000000e-04  2.1317000000e-03 -2.4858000000e-03 -1.4273000000e-03  1.2263000000e-03  1.0110000000e-04  3.8570000000e-04 -5.9227000000e-03  2.6816000000e-03  4.6206000000e-03  1.6049000000e-03
-
-JOB 18
-COORDS -3.6231200000e-01  7.3460600000e-01  1.0890320000e+00  2.6048300000e-01  1.3709440000e+00  1.4403600000e+00 -3.2768400000e-01  8.7100000000e-04  1.7027630000e+00  3.7788700000e-01 -7.7495900000e-01 -1.1525500000e+00 -2.7772300000e-01 -6.1451600000e-01 -1.8312730000e+00  1.2338200000e-01 -1.9853600000e-01 -4.3199800000e-01
-ENERGY -1.526618256762e+02
-FORCES  2.9009000000e-03 -6.6170000000e-04  2.6017000000e-03 -3.1808000000e-03 -3.8494000000e-03 -1.2247000000e-03  8.0260000000e-04  3.9910000000e-03 -4.5748000000e-03 -5.2651000000e-03  8.6341000000e-03  7.6798000000e-03  1.6701000000e-03 -6.2100000000e-05  2.3915000000e-03  3.0724000000e-03 -8.0520000000e-03 -6.8734000000e-03
-
-JOB 19
-COORDS -1.4290500000e+00  1.5000500000e-01  1.7751400000e-01 -4.7443500000e-01  7.9988000000e-02  1.8384800000e-01 -1.6822800000e+00 -1.0202400000e-01 -7.1051000000e-01  1.3402850000e+00 -8.2304000000e-02 -1.3828300000e-01  1.6035800000e+00 -4.2867600000e-01  7.1432100000e-01  1.8770890000e+00 -5.6265700000e-01 -7.6862800000e-01
-ENERGY -1.526595772762e+02
-FORCES  1.2412400000e-02 -1.3718000000e-03 -6.0031000000e-03 -7.1114000000e-03  9.5000000000e-05  5.9675000000e-03  5.8000000000e-05  5.0290000000e-04  2.2446000000e-03 -3.2480000000e-04 -3.0436000000e-03 -1.0858000000e-03 -3.3736000000e-03  1.6862000000e-03 -4.9661000000e-03 -1.6606000000e-03  2.1314000000e-03  3.8430000000e-03
-
-JOB 20
-COORDS -5.0337900000e-01  1.3163420000e+00  2.9741800000e-01 -7.9757200000e-01  1.2121780000e+00  1.2023110000e+00 -1.8766500000e-01  4.4830700000e-01  4.6279000000e-02  4.4780000000e-01 -1.2518810000e+00 -3.0173900000e-01  1.3275430000e+00 -1.3993020000e+00  4.5464000000e-02  5.5252100000e-01 -1.3059460000e+00 -1.2516560000e+00
-ENERGY -1.526614008640e+02
-FORCES  2.9227000000e-03 -1.3285700000e-02 -7.1900000000e-05  1.3950000000e-03  1.4150000000e-04 -2.2846000000e-03 -2.8394000000e-03  1.0298100000e-02  3.7850000000e-04  3.2859000000e-03  6.4380000000e-04 -1.4130000000e-03 -4.6661000000e-03  8.5240000000e-04 -2.1859000000e-03 -9.8100000000e-05  1.3499000000e-03  5.5769000000e-03
-
-JOB 21
-COORDS -1.3270400000e+00 -1.7292100000e-01 -1.4198000000e-01 -2.0453430000e+00  2.5101900000e-01  3.2764500000e-01 -1.6636950000e+00 -1.0415550000e+00 -3.6191400000e-01  1.4235280000e+00  1.6109800000e-01  1.6056500000e-01  4.7582200000e-01  1.6522200000e-01  2.9498500000e-01  1.5741130000e+00  8.3014000000e-01 -5.0722200000e-01
-ENERGY -1.526607413525e+02
-FORCES  2.1390000000e-04 -3.4173000000e-03 -1.7610000000e-04  3.8704000000e-03 -2.4073000000e-03 -2.3107000000e-03 -1.9410000000e-04  4.8885000000e-03  1.3983000000e-03 -1.2191500000e-02  4.7350000000e-04 -3.4802000000e-03  8.5586000000e-03  2.1460000000e-03  2.6093000000e-03 -2.5740000000e-04 -1.6833000000e-03  1.9593000000e-03
-
-JOB 22
-COORDS -6.0720300000e-01 -6.8928000000e-01  1.0268400000e+00  2.1339600000e-01 -9.0703000000e-01  1.4689180000e+00 -1.0241990000e+00 -4.4816000000e-02  1.5986900000e+00  6.2357900000e-01  6.5068100000e-01 -1.1422580000e+00  4.5929400000e-01  1.5012620000e+00 -7.3512900000e-01  6.8163000000e-02  4.0871000000e-02 -6.5658800000e-01
-ENERGY -1.526595944982e+02
-FORCES  3.3833000000e-03  3.0805000000e-03  3.0411000000e-03 -4.5675000000e-03  1.7389000000e-03 -2.3684000000e-03  2.8933000000e-03 -2.4843000000e-03 -2.9877000000e-03 -7.6889000000e-03 -3.5397000000e-03  1.0231400000e-02  8.5310000000e-04 -1.9238000000e-03 -9.3880000000e-04  5.1268000000e-03  3.1285000000e-03 -6.9777000000e-03
-
-JOB 23
-COORDS  1.2479260000e+00  2.5257000000e-02 -5.6397500000e-01  2.1770220000e+00  2.4539300000e-01 -4.9650200000e-01  9.2106500000e-01  5.7868400000e-01 -1.2732800000e+00 -1.3311160000e+00 -9.5401000000e-02  6.1390600000e-01 -7.6304700000e-01  3.9991900000e-01  1.2039800000e+00 -9.0727100000e-01 -2.6174000000e-02 -2.4154400000e-01
-ENERGY -1.526537148539e+02
-FORCES  1.7193000000e-03  1.7724000000e-03 -1.5227000000e-03 -4.6909000000e-03 -6.4760000000e-04  1.1360000000e-04 -2.1174000000e-03 -3.7012000000e-03  5.3444000000e-03  1.2814500000e-02  4.6750000000e-04 -1.6296000000e-03 -4.2911000000e-03 -2.4590000000e-04  3.7610000000e-04 -3.4343000000e-03  2.3548000000e-03 -2.6818000000e-03
-
-JOB 24
-COORDS  3.5780000000e-01  1.1580830000e+00  6.4182500000e-01  1.0612510000e+00  1.7302140000e+00  3.3514400000e-01  6.9860900000e-01  7.6936100000e-01  1.4474150000e+00 -3.9960800000e-01 -1.2149320000e+00 -7.2166800000e-01 -1.3062100000e+00 -9.6779800000e-01 -5.3937900000e-01  1.1613200000e-01 -7.2476300000e-01 -8.1373000000e-02
-ENERGY -1.526568925398e+02
-FORCES  3.0539000000e-03  2.2844000000e-03 -1.1135000000e-03 -3.2880000000e-03 -2.8908000000e-03  2.4008000000e-03 -2.2689000000e-03 -1.4720000000e-03 -6.7644000000e-03 -2.3000000000e-04  1.2430700000e-02  5.2617000000e-03  1.9592000000e-03 -2.3728000000e-03 -8.9570000000e-04  7.7380000000e-04 -7.9795000000e-03  1.1111000000e-03
-
-JOB 25
-COORDS -1.0386400000e+00 -8.6447600000e-01  4.9724700000e-01 -1.9186150000e+00 -7.6105400000e-01  1.3506000000e-01 -6.0639700000e-01 -2.9052000000e-02  3.1986400000e-01  1.0135560000e+00  8.1387500000e-01 -4.3808100000e-01  1.0826630000e+00  6.7380600000e-01 -1.3824520000e+00  1.9166700000e+00  9.4146400000e-01 -1.4767000000e-01
-ENERGY -1.526596386051e+02
-FORCES  5.3148000000e-03  6.9379000000e-03 -2.6086000000e-03  3.8724000000e-03  4.6950000000e-04  1.3000000000e-05 -8.2192000000e-03 -4.5461000000e-03  2.0207000000e-03  2.3803000000e-03 -3.9860000000e-03 -9.6610000000e-04  5.2500000000e-05  1.5525000000e-03  4.2088000000e-03 -3.4007000000e-03 -4.2790000000e-04 -2.6678000000e-03
-
-JOB 26
-COORDS -1.2295700000e+00  5.7335300000e-01 -5.8246900000e-01 -6.1251000000e-01 -9.8315000000e-02 -2.9207200000e-01 -1.4998920000e+00  1.0150660000e+00  2.2254600000e-01  1.1743790000e+00 -5.0930900000e-01  4.8741900000e-01  1.0405060000e+00 -1.4482270000e+00  3.5802400000e-01  1.8959980000e+00 -4.5387100000e-01  1.1138570000e+00
-ENERGY -1.526563978993e+02
-FORCES  9.0605000000e-03 -9.8830000000e-04  7.7067000000e-03 -5.6707000000e-03 -3.5535000000e-03 -3.6472000000e-03 -3.3470000000e-04 -7.4100000000e-04 -2.7576000000e-03  2.3550000000e-03  1.3850000000e-04  1.6760000000e-03 -2.3457000000e-03  6.3353000000e-03  1.8000000000e-05 -3.0645000000e-03 -1.1910000000e-03 -2.9960000000e-03
-
-JOB 27
-COORDS -8.2888200000e-01 -1.1358130000e+00 -3.2881600000e-01 -3.6029000000e-02 -6.9631000000e-01 -2.1485000000e-02 -5.2320500000e-01 -1.9826880000e+00 -6.5377200000e-01  7.2927300000e-01  1.1091820000e+00  3.6291600000e-01  4.8828800000e-01  1.5138520000e+00 -4.7039100000e-01  1.5259370000e+00  1.5672970000e+00  6.3066400000e-01
-ENERGY -1.526606399297e+02
-FORCES  6.3874000000e-03  3.3567000000e-03  3.2742000000e-03 -5.5441000000e-03 -6.6189000000e-03 -4.9005000000e-03  6.6700000000e-05  3.5160000000e-03  1.3408000000e-03  1.2240000000e-04  3.4991000000e-03 -2.0551000000e-03  2.7817000000e-03 -2.3138000000e-03  4.3636000000e-03 -3.8141000000e-03 -1.4391000000e-03 -2.0230000000e-03
-
-JOB 28
-COORDS -7.3721200000e-01  1.2736960000e+00 -5.1758000000e-02 -1.5888030000e+00  1.1642480000e+00 -4.7489500000e-01 -3.7487200000e-01  3.8874900000e-01 -9.2040000000e-03  7.0570700000e-01 -1.1884900000e+00  6.5978000000e-02  1.4633600000e+00 -1.0899140000e+00 -5.1063100000e-01  1.0303340000e+00 -1.7068170000e+00  8.0231100000e-01
-ENERGY -1.526620409738e+02
-FORCES  2.4806000000e-03 -9.6232000000e-03  2.5320000000e-04  2.8937000000e-03 -4.4550000000e-04  1.2133000000e-03 -4.9783000000e-03  9.1056000000e-03 -2.1920000000e-03  3.5043000000e-03  2.2810000000e-04  1.6565000000e-03 -3.6015000000e-03 -1.0257000000e-03  3.3628000000e-03 -2.9900000000e-04  1.7606000000e-03 -4.2938000000e-03
-
-JOB 29
-COORDS -1.1062280000e+00  8.4165400000e-01  3.5479000000e-01 -4.6461100000e-01  1.4653800000e+00  6.9468200000e-01 -1.4358790000e+00  3.8932000000e-01  1.1312920000e+00  1.1295710000e+00 -8.9127500000e-01 -3.8868700000e-01  4.1949200000e-01 -3.4635800000e-01 -4.9444000000e-02  1.0876440000e+00 -7.7643800000e-01 -1.3380480000e+00
-ENERGY -1.526601278957e+02
-FORCES -1.8772000000e-03  2.5889000000e-03  4.6282000000e-03 -1.7854000000e-03 -6.2742000000e-03 -2.7305000000e-03  3.5723000000e-03  1.8367000000e-03 -4.5769000000e-03 -9.9048000000e-03  5.9866000000e-03 -1.8466000000e-03  9.1684000000e-03 -3.7837000000e-03  1.6925000000e-03  8.2670000000e-04 -3.5420000000e-04  2.8333000000e-03
-
-JOB 30
-COORDS -5.4991800000e-01  1.3840170000e+00 -3.4233000000e-02  2.1129800000e-01  1.9165870000e+00 -2.6477600000e-01 -2.5671300000e-01  4.8097500000e-01 -1.5579300000e-01  5.0906000000e-01 -1.3051240000e+00  5.4301000000e-02 -1.5776400000e-01 -1.7020940000e+00 -5.0605000000e-01  8.1213100000e-01 -2.0220250000e+00  6.1146700000e-01
-ENERGY -1.526592982665e+02
-FORCES  7.3607000000e-03 -6.9859000000e-03  1.0111000000e-03 -2.4370000000e-03 -1.3228000000e-03  7.3590000000e-04 -5.8838000000e-03  5.1762000000e-03 -4.5197000000e-03 -4.0980000000e-04 -3.1558000000e-03  3.3226000000e-03  2.9317000000e-03  4.4795000000e-03  3.2553000000e-03 -1.5618000000e-03  1.8089000000e-03 -3.8052000000e-03
-
-JOB 31
-COORDS -6.2348800000e-01 -2.6643400000e-01 -1.3322410000e+00 -1.0476010000e+00 -1.1129100000e+00 -1.1913920000e+00 -2.3986300000e-01 -4.6027000000e-02 -4.8342700000e-01  6.0933600000e-01  3.4209500000e-01  1.2298950000e+00  5.5790000000e-02 -7.7213000000e-02  1.8886810000e+00  1.4924180000e+00  2.7110000000e-02  1.4227270000e+00
-ENERGY -1.526608286112e+02
-FORCES  3.9987000000e-03  4.6560000000e-04  9.4582000000e-03  1.4079000000e-03  2.6133000000e-03  4.8060000000e-04 -5.9835000000e-03 -3.1649000000e-03 -8.5959000000e-03  2.7608000000e-03 -2.1285000000e-03  3.2563000000e-03  2.7183000000e-03  1.0404000000e-03 -4.6377000000e-03 -4.9022000000e-03  1.1742000000e-03  3.8400000000e-05
-
-JOB 32
-COORDS  3.9233700000e-01 -4.4662700000e-01  1.3483110000e+00  6.5419300000e-01  1.0571700000e-01  2.0849110000e+00 -3.1216000000e-02  1.5491400000e-01  7.3595200000e-01 -4.2473500000e-01  4.2413000000e-01 -1.3072690000e+00 -4.6246500000e-01 -4.8979300000e-01 -1.5893230000e+00  2.9296800000e-01  8.0258200000e-01 -1.8151150000e+00
-ENERGY -1.526609986232e+02
-FORCES -2.6315000000e-03  5.2360000000e-03 -5.0575000000e-03 -8.9910000000e-04 -8.8480000000e-04 -3.5565000000e-03  2.6994000000e-03 -3.5622000000e-03  9.2465000000e-03  4.0930000000e-03 -4.0633000000e-03 -3.5706000000e-03  8.6800000000e-05  4.9855000000e-03  8.2830000000e-04 -3.3487000000e-03 -1.7113000000e-03  2.1098000000e-03
-
-JOB 33
-COORDS  8.9407500000e-01 -3.3640700000e-01  1.1105010000e+00  2.1888800000e-01  3.0350700000e-01  8.8497000000e-01  1.4234760000e+00  9.8730000000e-02  1.7788000000e+00 -8.5820000000e-01  2.5671600000e-01 -1.0727220000e+00 -3.5138400000e-01  4.5627000000e-01 -1.8598360000e+00 -1.7670620000e+00  4.2026600000e-01 -1.3246200000e+00
-ENERGY -1.526579654970e+02
-FORCES -4.4094000000e-03  3.6912000000e-03 -2.3447000000e-03  5.4278000000e-03 -1.3052000000e-03  6.4210000000e-03 -2.4687000000e-03 -9.7140000000e-04 -3.3169000000e-03  5.0380000000e-04 -6.2550000000e-04 -5.1166000000e-03 -3.3868000000e-03 -1.9120000000e-04  3.0055000000e-03  4.3333000000e-03 -5.9790000000e-04  1.3518000000e-03
-
-JOB 34
-COORDS  9.0613300000e-01 -6.4294200000e-01 -1.0362680000e+00  5.4290600000e-01  1.7651900000e-01 -7.0043900000e-01  1.0980990000e+00 -1.1590460000e+00 -2.5331300000e-01 -8.7679500000e-01  6.0535300000e-01  9.1387900000e-01 -1.3765850000e+00  1.3879390000e+00  1.1462620000e+00 -7.0608500000e-01  1.7245700000e-01  1.7503540000e+00
-ENERGY -1.526577894300e+02
-FORCES -5.8878000000e-03  3.6857000000e-03  8.4947000000e-03  5.0372000000e-03 -2.0656000000e-03 -5.1544000000e-03  2.9800000000e-04  4.5660000000e-04 -2.1800000000e-03 -1.7246000000e-03 -2.3020000000e-04  3.9420000000e-03  2.5611000000e-03 -3.8253000000e-03 -1.0547000000e-03 -2.8380000000e-04  1.9788000000e-03 -4.0477000000e-03
-
-JOB 35
-COORDS -8.9227300000e-01  9.0217100000e-01 -6.0914900000e-01 -1.1108570000e+00  1.7595480000e+00 -2.4396700000e-01 -1.5928070000e+00  7.2275800000e-01 -1.2362810000e+00  9.5015400000e-01 -9.2706900000e-01  6.9011200000e-01  1.2605370000e+00 -1.7494280000e+00  3.1114200000e-01  6.1710100000e-01 -4.2933000000e-01 -5.6590000000e-02
-ENERGY -1.526594928103e+02
-FORCES -3.3202000000e-03  2.3026000000e-03  1.7701000000e-03 -2.1900000000e-04 -3.5268000000e-03 -2.6573000000e-03  3.1038000000e-03  1.0821000000e-03  2.7334000000e-03 -4.1256000000e-03  3.3061000000e-03 -5.2746000000e-03 -1.9499000000e-03  3.0678000000e-03  4.5900000000e-04  6.5109000000e-03 -6.2318000000e-03  2.9693000000e-03
-
-JOB 36
-COORDS -1.3813410000e+00  3.0488400000e-01 -5.5406700000e-01 -2.0293670000e+00  8.9804600000e-01 -1.7399800000e-01 -7.4837000000e-01  1.5868100000e-01  1.4892900000e-01  1.4030590000e+00 -3.8971300000e-01  4.7540100000e-01  1.1985020000e+00  3.5020400000e-01 -9.6360000000e-02  1.2122870000e+00 -7.1168000000e-02  1.3576520000e+00
-ENERGY -1.526549513707e+02
-FORCES  5.8180000000e-04 -1.8532000000e-03  4.4112000000e-03  3.7965000000e-03 -2.5753000000e-03 -7.5140000000e-04 -2.0847000000e-03  6.3931000000e-03 -3.0619000000e-03  2.7405000000e-03  4.2424000000e-03 -5.5550000000e-04 -2.5049000000e-03 -4.6070000000e-03  5.4830000000e-03 -2.5292000000e-03 -1.6000000000e-03 -5.5254000000e-03
-
-JOB 37
-COORDS -1.2693300000e-01 -8.3582900000e-01 -1.2217200000e+00  6.0625400000e-01 -1.4458500000e+00 -1.1408370000e+00  1.5938600000e-01 -2.0237800000e-01 -1.8797420000e+00  1.0132900000e-01  8.8219100000e-01  1.2771220000e+00  1.1842800000e-01  5.2578700000e-01  3.8891300000e-01 -5.0277400000e-01  3.1213500000e-01  1.7528620000e+00
-ENERGY -1.526602296004e+02
-FORCES  3.4606000000e-03 -2.9635000000e-03 -4.5236000000e-03 -3.6983000000e-03  3.7504000000e-03 -1.4730000000e-04 -8.9840000000e-04 -2.2128000000e-03  5.5986000000e-03 -4.1337000000e-03 -7.5271000000e-03 -6.0735000000e-03  3.0192000000e-03  6.8349000000e-03  5.3845000000e-03  2.2506000000e-03  2.1182000000e-03 -2.3870000000e-04
-
-JOB 38
-COORDS -6.1600900000e-01 -3.7227100000e-01  1.3068910000e+00  2.3958100000e-01 -7.6456600000e-01  1.4809640000e+00 -1.2240180000e+00 -1.1115600000e+00  1.3095990000e+00  6.2378700000e-01  4.6882100000e-01 -1.3748820000e+00 -2.4665700000e-01  1.2208700000e-01 -1.1790910000e+00  1.1397730000e+00  2.7836400000e-01 -5.9148100000e-01
-ENERGY -1.526554436172e+02
-FORCES  9.3580000000e-04 -4.6537000000e-03  2.7488000000e-03 -3.0197000000e-03  2.8593000000e-03 -3.0272000000e-03  2.9379000000e-03  3.8365000000e-03 -1.2624000000e-03 -4.8273000000e-03 -1.7375000000e-03  8.9363000000e-03  2.6500000000e-03  2.1720000000e-04 -5.0893000000e-03  1.3233000000e-03 -5.2180000000e-04 -2.3061000000e-03
-
-JOB 39
-COORDS  2.5933400000e-01 -1.0807240000e+00 -1.1416050000e+00 -5.7426400000e-01 -9.2373900000e-01 -6.9809400000e-01  6.7454700000e-01 -2.1931300000e-01 -1.1840470000e+00 -2.7952300000e-01  1.0554960000e+00  1.1519410000e+00  2.5310300000e-01  3.2959500000e-01  1.4769160000e+00 -1.6363000000e-02  1.1554710000e+00  2.3707300000e-01
-ENERGY -1.526526473868e+02
-FORCES -3.2314000000e-03  3.8784000000e-03  1.4589000000e-03  5.0984000000e-03 -5.6200000000e-04 -2.3355000000e-03 -2.5389000000e-03 -1.2293000000e-03  3.0675000000e-03  4.9610000000e-03 -3.0266000000e-03 -1.3347000000e-03 -3.2783000000e-03  3.7057000000e-03 -1.5020000000e-03 -1.0107000000e-03 -2.7662000000e-03  6.4590000000e-04
-
-JOB 40
-COORDS -4.5123600000e-01 -1.2663420000e+00 -8.4807900000e-01 -3.7113700000e-01 -6.8423600000e-01 -9.2455000000e-02 -4.8546000000e-02 -7.8134900000e-01 -1.5683950000e+00  4.7681600000e-01  1.1782510000e+00  8.0470200000e-01 -4.4448600000e-01  1.2756820000e+00  5.6399200000e-01  5.1848600000e-01  1.4669240000e+00  1.7163840000e+00
-ENERGY -1.526568432212e+02
-FORCES  6.4335000000e-03  5.4058000000e-03  2.0441000000e-03 -6.4185000000e-03 -1.3764000000e-03 -3.7210000000e-03 -2.7441000000e-03 -1.9405000000e-03  1.8002000000e-03 -1.8302000000e-03  4.2776000000e-03  4.1240000000e-03  5.1650000000e-03 -5.2256000000e-03  3.0630000000e-04 -6.0570000000e-04 -1.1408000000e-03 -4.5536000000e-03
-
-JOB 41
-COORDS  3.3636000000e-02 -4.7239500000e-01  1.3995410000e+00  2.0191200000e-01 -1.3871300000e-01  2.2807740000e+00 -7.8617900000e-01 -9.5990000000e-01  1.4800100000e+00  3.7047000000e-02  4.9272400000e-01 -1.5182960000e+00 -7.3947200000e-01  9.3740900000e-01 -1.1784350000e+00  2.8490200000e-01 -1.2012300000e-01 -8.2604000000e-01
-ENERGY -1.526589837988e+02
-FORCES -1.1450000000e-03  2.9440000000e-04  5.2918000000e-03 -1.8146000000e-03 -1.9798000000e-03 -3.4468000000e-03  3.7322000000e-03  2.9579000000e-03 -1.2300000000e-03 -9.6750000000e-04 -7.8190000000e-04  9.3553000000e-03  1.3739000000e-03 -1.0219000000e-03 -2.5901000000e-03 -1.1789000000e-03  5.3130000000e-04 -7.3802000000e-03
-
-JOB 42
-COORDS  2.3151400000e-01  1.1830840000e+00 -9.8232900000e-01 -6.6847800000e-01  1.4003380000e+00 -7.3933300000e-01  7.7027200000e-01  1.7903980000e+00 -4.7523800000e-01 -1.9263500000e-01 -1.2456890000e+00  1.0036230000e+00 -8.2301600000e-01 -1.7255380000e+00  4.6641100000e-01  6.7973000000e-02 -5.0160900000e-01  4.6079800000e-01
-ENERGY -1.526597437167e+02
-FORCES -1.1017000000e-03  7.2792000000e-03 -2.3400000000e-05  5.0332000000e-03 -3.1332000000e-03 -1.2650000000e-04 -3.1100000000e-03 -4.0025000000e-03 -1.8274000000e-03  6.6830000000e-04  2.8296000000e-03 -7.7303000000e-03  1.4979000000e-03  1.8982000000e-03  2.2339000000e-03 -2.9877000000e-03 -4.8713000000e-03  7.4736000000e-03
-
-JOB 43
-COORDS  1.0032190000e+00 -7.5134300000e-01 -9.4055400000e-01  1.1512300000e-01 -7.8978200000e-01 -5.8553300000e-01  9.5805100000e-01 -1.2524540000e+00 -1.7548510000e+00 -9.8559100000e-01  7.2361100000e-01  9.3348900000e-01 -2.1861200000e-01  7.0266200000e-01  1.5057970000e+00 -1.2291970000e+00  1.6483820000e+00  8.9242300000e-01
-ENERGY -1.526591076590e+02
-FORCES -5.7182000000e-03 -2.1490000000e-04 -4.8150000000e-04  6.5759000000e-03 -3.7507000000e-03 -2.8879000000e-03 -4.5340000000e-04  2.1511000000e-03  2.9520000000e-03  2.9800000000e-03  5.7230000000e-03  1.7710000000e-03 -4.2326000000e-03 -3.2080000000e-04 -2.4167000000e-03  8.4840000000e-04 -3.5876000000e-03  1.0632000000e-03
-
-JOB 44
-COORDS  8.3601600000e-01 -3.5479000000e-02 -1.2748670000e+00  6.0227600000e-01  3.2293500000e-01 -2.1311020000e+00  1.1415330000e+00 -9.2319100000e-01 -1.4615730000e+00 -8.9655600000e-01  1.0666900000e-01  1.3306850000e+00 -8.2533900000e-01 -8.1718900000e-01  1.5707820000e+00  2.3900000000e-04  3.7116800000e-01  1.1256700000e+00
-ENERGY -1.526558454023e+02
-FORCES -1.9872000000e-03 -1.6737000000e-03 -4.8385000000e-03  1.5862000000e-03 -1.9291000000e-03  3.1904000000e-03 -1.2698000000e-03  3.6050000000e-03  1.3932000000e-03  5.9437000000e-03 -2.4833000000e-03 -4.5075000000e-03 -4.7530000000e-04  2.9215000000e-03 -4.7300000000e-04 -3.7976000000e-03 -4.4040000000e-04  5.2355000000e-03
-
-JOB 45
-COORDS -4.2925000000e-01 -6.5121100000e-01 -1.4032540000e+00 -1.1331890000e+00 -1.2649490000e+00 -1.1934270000e+00  1.4771700000e-01 -6.7772400000e-01 -6.3994600000e-01  4.8518300000e-01  6.5474400000e-01  1.3156500000e+00  4.9174500000e-01  1.6066820000e+00  1.4156640000e+00 -3.1836800000e-01  3.7303100000e-01  1.7528860000e+00
-ENERGY -1.526577052066e+02
-FORCES  1.7674000000e-03 -1.4870000000e-04  6.1007000000e-03  2.3097000000e-03  2.6343000000e-03  1.3600000000e-05 -3.7757000000e-03 -4.0423000000e-03 -5.8955000000e-03 -3.7572000000e-03  5.4995000000e-03  1.3703000000e-03 -1.7730000000e-04 -4.0845000000e-03  8.4690000000e-04  3.6330000000e-03  1.4170000000e-04 -2.4360000000e-03
-
-JOB 46
-COORDS -5.9334500000e-01  1.4498140000e+00 -4.3483000000e-01 -2.6343500000e-01  5.6465700000e-01 -2.8026800000e-01 -1.5336410000e+00  1.3882400000e+00 -2.6664900000e-01  6.1599600000e-01 -1.3457280000e+00  3.7788800000e-01  4.1049300000e-01 -1.4181000000e+00  1.3099630000e+00  1.0201180000e+00 -2.1844300000e+00  1.5540900000e-01
-ENERGY -1.526603971872e+02
-FORCES -1.5750000000e-04 -6.7267000000e-03  7.5570000000e-04 -4.2634000000e-03  8.4439000000e-03 -4.5100000000e-04  3.1875000000e-03  1.5310000000e-04 -1.0210000000e-04  2.6285000000e-03 -5.2093000000e-03  2.1563000000e-03  3.7680000000e-04  2.3190000000e-04 -4.7181000000e-03 -1.7719000000e-03  3.1072000000e-03  2.3592000000e-03
-
-JOB 47
-COORDS  3.7360600000e-01 -2.9154300000e-01  1.5446820000e+00  7.8699400000e-01 -1.1071640000e+00  1.8277100000e+00  4.3541600000e-01 -3.0997200000e-01  5.8965700000e-01 -3.6247400000e-01  3.9785500000e-01 -1.4820290000e+00 -8.2478000000e-02 -3.3162800000e-01 -2.0349200000e+00 -1.2691380000e+00  1.9213500000e-01 -1.2542750000e+00
-ENERGY -1.526589043664e+02
-FORCES  1.8034000000e-03 -6.6880000000e-04 -5.2680000000e-03 -1.6892000000e-03  2.8275000000e-03 -1.9780000000e-03  7.0650000000e-04 -3.9795000000e-03  8.5200000000e-03 -5.4561000000e-03 -1.1642000000e-03 -4.5634000000e-03 -6.6910000000e-04  2.7970000000e-03  4.4198000000e-03  5.3044000000e-03  1.8790000000e-04 -1.1304000000e-03
-
-JOB 48
-COORDS  7.3545000000e-02 -7.7129700000e-01 -1.4181540000e+00  5.1338200000e-01 -4.5824500000e-01 -6.2772800000e-01  4.7716700000e-01 -2.7475700000e-01 -2.1300320000e+00 -1.8716700000e-01  7.4597400000e-01  1.3954930000e+00  1.0265400000e-01 -1.6434000000e-01  1.4551910000e+00  5.7419900000e-01  1.2585410000e+00  1.6672090000e+00
-ENERGY -1.526534930415e+02
-FORCES  1.7668000000e-03  6.6583000000e-03  1.4696000000e-03  5.9250000000e-04 -5.3981000000e-03 -1.4818000000e-03 -1.3839000000e-03 -2.1812000000e-03  2.5998000000e-03  1.7668000000e-03 -1.1082000000e-03  4.2871000000e-03  5.8200000000e-04  4.8065000000e-03 -4.2414000000e-03 -3.3243000000e-03 -2.7774000000e-03 -2.6332000000e-03
-
-JOB 49
-COORDS  7.5916600000e-01 -1.4520110000e+00 -7.9509000000e-02  9.0440900000e-01 -1.6734570000e+00  8.4032700000e-01  1.2439560000e+00 -6.3696900000e-01 -2.0957600000e-01 -7.8710500000e-01  1.4555230000e+00  8.5503000000e-02 -6.2549000000e-01  5.1219500000e-01  6.9835000000e-02 -1.1045580000e+00  1.6592640000e+00 -7.9423900000e-01
-ENERGY -1.526589142299e+02
-FORCES  6.2592000000e-03 -3.5520000000e-04  3.3865000000e-03 -1.1705000000e-03  1.5073000000e-03 -4.4533000000e-03 -5.3760000000e-03 -3.5742000000e-03  7.0270000000e-04 -2.2600000000e-03 -4.9453000000e-03 -3.5942000000e-03  8.6180000000e-04  8.0228000000e-03  6.2930000000e-04  1.6855000000e-03 -6.5520000000e-04  3.3290000000e-03
-
-JOB 50
-COORDS -5.7163700000e-01 -1.2138320000e+00 -8.7008300000e-01  2.8012300000e-01 -1.5019980000e+00 -1.1982550000e+00 -1.1468680000e+00 -1.2464330000e+00 -1.6344650000e+00  5.4372300000e-01  1.3024670000e+00  9.4408700000e-01  1.1800560000e+00  7.6130700000e-01  1.4114820000e+00  7.3706000000e-02  6.8770300000e-01  3.8072100000e-01
-ENERGY -1.526598242073e+02
-FORCES -3.8100000000e-04 -3.4742000000e-03 -6.3113000000e-03 -3.8300000000e-03  2.0044000000e-03  2.1064000000e-03  3.0415000000e-03 -3.2550000000e-04  3.2231000000e-03 -1.6610000000e-03 -6.7539000000e-03 -1.5068000000e-03 -1.5675000000e-03  2.0012000000e-03 -1.8280000000e-03  4.3980000000e-03  6.5480000000e-03  4.3166000000e-03
-
-JOB 51
-COORDS -2.6865300000e-01  9.3469000000e-02 -1.5850900000e+00  6.5577500000e-01 -1.4808500000e-01 -1.5275000000e+00 -5.4063500000e-01 -2.0345400000e-01 -2.4534760000e+00  2.2000800000e-01  1.2040000000e-03  1.6579810000e+00 -4.3831400000e-01 -6.8478500000e-01  1.5472420000e+00  1.0310110000e+00 -3.8974800000e-01  1.3329220000e+00
-ENERGY -1.526527785792e+02
-FORCES  3.4024000000e-03 -7.2730000000e-04 -3.3179000000e-03 -3.6269000000e-03 -6.9100000000e-05  1.1070000000e-04  8.7130000000e-04  1.1824000000e-03  4.3583000000e-03 -1.4077000000e-03 -4.0332000000e-03 -4.0921000000e-03  3.1466000000e-03  1.9958000000e-03  2.2979000000e-03 -2.3857000000e-03  1.6513000000e-03  6.4300000000e-04
-
-JOB 52
-COORDS  5.1313100000e-01  1.5045610000e+00 -5.0254100000e-01  6.6055500000e-01  5.5897700000e-01 -5.2172700000e-01  6.2805500000e-01  1.7838440000e+00 -1.4108500000e+00 -4.9604000000e-01 -1.4342370000e+00  5.1216000000e-01 -1.3819070000e+00 -1.3344130000e+00  8.6073900000e-01 -1.4251100000e-01 -2.1968830000e+00  9.7000300000e-01
-ENERGY -1.526586365462e+02
-FORCES  2.0220000000e-04 -5.1105000000e-03 -2.2560000000e-03  2.1377000000e-03  7.3256000000e-03 -2.2817000000e-03 -5.4470000000e-04 -1.2456000000e-03  3.3083000000e-03 -3.8896000000e-03 -2.3859000000e-03  4.4351000000e-03  3.7043000000e-03 -1.8435000000e-03 -1.2240000000e-03 -1.6100000000e-03  3.2599000000e-03 -1.9817000000e-03
-
-JOB 53
-COORDS  4.2264300000e-01  1.3915700000e-01  1.5378690000e+00  9.3919200000e-01  1.0618900000e-01  2.3430530000e+00 -3.4989800000e-01  6.5477000000e-01  1.7692920000e+00 -4.2165400000e-01 -1.9968800000e-01 -1.6579710000e+00  2.5798200000e-01 -4.6009500000e-01 -1.0362680000e+00 -8.1658400000e-01  5.8062000000e-01 -1.2688930000e+00
-ENERGY -1.526577089722e+02
-FORCES -8.5830000000e-04  1.6797000000e-03  5.9856000000e-03 -2.6033000000e-03  3.0530000000e-04 -3.2761000000e-03  3.4911000000e-03 -1.7716000000e-03 -1.6949000000e-03  2.6193000000e-03  1.9587000000e-03  6.8063000000e-03 -2.6647000000e-03  3.5300000000e-05 -5.9626000000e-03  1.5900000000e-05 -2.2074000000e-03 -1.8583000000e-03
-
-JOB 54
-COORDS  1.2211350000e+00 -1.0038510000e+00 -5.8080900000e-01  1.6217490000e+00 -9.7896300000e-01 -1.4497850000e+00  7.2743100000e-01 -1.8600700000e-01 -5.2064000000e-01 -1.1684810000e+00  9.9145100000e-01  6.2416000000e-01 -1.4659750000e+00  4.7922100000e-01  1.3760570000e+00 -1.7953700000e+00  7.8594600000e-01 -6.9389000000e-02
-ENERGY -1.526589083959e+02
-FORCES -1.1754000000e-03  4.9859000000e-03 -1.1623000000e-03 -2.0720000000e-03  2.1730000000e-04  3.1168000000e-03  4.6132000000e-03 -5.9866000000e-03 -3.8377000000e-03 -5.9899000000e-03 -2.8069000000e-03  2.9303000000e-03  6.3880000000e-04  2.8221000000e-03 -3.4949000000e-03  3.9853000000e-03  7.6820000000e-04  2.4479000000e-03
-
-JOB 55
-COORDS -8.4684300000e-01 -9.6742100000e-01 -1.2349860000e+00  1.5428000000e-02 -1.0698560000e+00 -8.3221100000e-01 -1.3777140000e+00 -5.4312700000e-01 -5.6090700000e-01  7.6649500000e-01  9.3912700000e-01  1.1651370000e+00  1.4484540000e+00  9.1693700000e-01  4.9381700000e-01  1.2313380000e+00  1.1599110000e+00  1.9722350000e+00
-ENERGY -1.526567659632e+02
-FORCES  1.1469000000e-03  2.3115000000e-03  6.7481000000e-03 -1.8618000000e-03 -4.2500000000e-05 -3.5026000000e-03  5.1940000000e-04 -2.5928000000e-03 -4.0723000000e-03  5.3308000000e-03  2.6741000000e-03  1.5807000000e-03 -3.2766000000e-03 -1.4912000000e-03  2.9672000000e-03 -1.8586000000e-03 -8.5910000000e-04 -3.7210000000e-03
-
-JOB 56
-COORDS  1.2804520000e+00  9.7837700000e-01  7.6480700000e-01  1.6760700000e+00  1.0969300000e-01  8.3626900000e-01  1.2207580000e+00  1.1381480000e+00 -1.7707500000e-01 -1.2723100000e+00 -9.3437600000e-01 -7.8293700000e-01 -1.6434720000e+00 -2.3810900000e-01 -2.4101300000e-01 -1.3507510000e+00 -1.7234290000e+00 -2.4677100000e-01
-ENERGY -1.526564421810e+02
-FORCES  1.0699000000e-03 -4.2509000000e-03 -5.1445000000e-03 -9.4070000000e-04  3.5626000000e-03  7.4280000000e-04  7.4190000000e-04  7.9630000000e-04  4.3475000000e-03 -2.1637000000e-03  2.3610000000e-04  5.5723000000e-03  7.0230000000e-04 -3.2871000000e-03 -3.2526000000e-03  5.9010000000e-04  2.9429000000e-03 -2.2655000000e-03
-
-JOB 57
-COORDS  2.5610400000e-01  1.2738210000e+00  1.2706730000e+00  1.0100630000e+00  7.7930300000e-01  9.4937900000e-01  5.0319400000e-01  2.1911380000e+00  1.1535890000e+00 -3.4894100000e-01 -1.2943920000e+00 -1.2926880000e+00 -5.7158900000e-01 -1.7603120000e+00 -4.8672400000e-01  5.2804800000e-01 -9.4534800000e-01 -1.1336610000e+00
-ENERGY -1.526527058430e+02
-FORCES  3.5315000000e-03  2.8634000000e-03 -2.0157000000e-03 -3.1324000000e-03  6.9750000000e-04  5.7610000000e-04 -8.8640000000e-04 -4.0021000000e-03  6.1140000000e-04  1.3431000000e-03  5.4010000000e-04  4.8675000000e-03  1.5586000000e-03  1.1532000000e-03 -3.8113000000e-03 -2.4143000000e-03 -1.2521000000e-03 -2.2790000000e-04
-
-JOB 58
-COORDS  8.5096600000e-01 -1.3501290000e+00 -1.1286170000e+00  1.4535300000e-01 -1.9565080000e+00 -9.0356700000e-01  1.3552250000e+00 -1.2580590000e+00 -3.2023700000e-01 -8.8533400000e-01  1.3322570000e+00  1.1059330000e+00 -1.0026070000e+00  2.2711120000e+00  9.6091300000e-01 -3.3368000000e-02  1.1339630000e+00  7.1726000000e-01
-ENERGY -1.526551705625e+02
-FORCES -1.5646000000e-03 -3.7946000000e-03  3.7406000000e-03  3.5510000000e-03  2.2605000000e-03 -1.1868000000e-03 -2.3492000000e-03  1.2199000000e-03 -3.2841000000e-03  2.7940000000e-03  3.1994000000e-03 -3.5009000000e-03  4.6940000000e-04 -3.7183000000e-03  7.6970000000e-04 -2.9006000000e-03  8.3310000000e-04  3.4615000000e-03
-
-JOB 59
-COORDS -9.2874600000e-01  1.7237070000e+00 -2.5898100000e-01 -9.1875800000e-01  2.5640180000e+00  1.9928600000e-01 -1.4060240000e+00  1.1363870000e+00  3.2710100000e-01  9.8269300000e-01 -1.7103740000e+00  2.4608400000e-01  6.6648800000e-01 -2.6128980000e+00  2.0489100000e-01  8.0541200000e-01 -1.3540030000e+00 -6.2443500000e-01
-ENERGY -1.526555642986e+02
-FORCES -1.3735000000e-03  1.0755000000e-03  5.2020000000e-03 -3.2030000000e-04 -3.2559000000e-03 -1.8893000000e-03  1.2246000000e-03  2.7968000000e-03 -3.0518000000e-03 -1.2345000000e-03 -1.5610000000e-03 -4.4583000000e-03  9.9160000000e-04  3.8026000000e-03  3.4110000000e-04  7.1220000000e-04 -2.8580000000e-03  3.8564000000e-03
-
-JOB 60
-COORDS  1.7957100000e-01  1.2033090000e+00 -1.5602450000e+00 -5.5437200000e-01  6.8995500000e-01 -1.8979250000e+00 -1.1933300000e-01  2.1112480000e+00 -1.6105880000e+00 -1.3814700000e-01 -1.2506630000e+00  1.6341580000e+00  2.7279300000e-01 -1.6817710000e+00  8.8482100000e-01 -2.0940700000e-01 -3.3243600000e-01  1.3733630000e+00
-ENERGY -1.526563528177e+02
-FORCES -4.0020000000e-03  2.7664000000e-03 -3.3857000000e-03  3.3507000000e-03  1.9013000000e-03  2.1996000000e-03  1.1282000000e-03 -4.0408000000e-03  3.8280000000e-04  2.5170000000e-03  2.9508000000e-03 -4.7137000000e-03 -2.1543000000e-03  7.5880000000e-04  3.1064000000e-03 -8.3950000000e-04 -4.3366000000e-03  2.4106000000e-03
-
-JOB 61
-COORDS  4.6962300000e-01 -1.6531840000e+00 -1.0609080000e+00  8.3267000000e-01 -1.4304800000e+00 -2.0368400000e-01  1.1893620000e+00 -1.5008470000e+00 -1.6732810000e+00 -4.8894900000e-01  1.5933880000e+00  1.0884740000e+00 -7.3276600000e-01  2.5179340000e+00  1.1332100000e+00 -9.4222400000e-01  1.2629190000e+00  3.1286800000e-01
-ENERGY -1.526564556006e+02
-FORCES  5.2199000000e-03  1.0272000000e-03  1.5150000000e-03 -1.7675000000e-03 -1.4091000000e-03 -4.3459000000e-03 -3.0331000000e-03 -6.2670000000e-04  2.3125000000e-03 -3.4504000000e-03  2.4776000000e-03 -3.1433000000e-03  9.4420000000e-04 -3.6767000000e-03 -3.1160000000e-04  2.0869000000e-03  2.2076000000e-03  3.9733000000e-03
-
-JOB 62
-COORDS -2.5506200000e-01  1.3693660000e+00 -1.6628790000e+00  2.4351900000e-01  7.5375700000e-01 -2.2001630000e+00 -9.1463000000e-02  1.0890860000e+00 -7.6237400000e-01  1.5977100000e-01 -1.3171550000e+00  1.6605500000e+00  7.6476000000e-01 -6.1687100000e-01  1.4159650000e+00  6.7825600000e-01 -2.1184850000e+00  1.5879130000e+00
-ENERGY -1.526535201096e+02
-FORCES  1.5492000000e-03 -4.2826000000e-03  1.4414000000e-03 -1.6555000000e-03  2.7417000000e-03  2.2880000000e-03  8.1940000000e-04  1.7226000000e-03 -3.4502000000e-03  4.9233000000e-03 -1.5777000000e-03  3.4900000000e-05 -3.4066000000e-03 -2.1937000000e-03 -5.3980000000e-04 -2.2298000000e-03  3.5897000000e-03  2.2570000000e-04
-
-JOB 63
-COORDS  1.5095700000e-01 -1.7272250000e+00  1.4815470000e+00 -5.6500800000e-01 -1.2182970000e+00  1.1012600000e+00  9.3068400000e-01 -1.4339270000e+00  1.0101290000e+00 -1.4785300000e-01  1.6260700000e+00 -1.4027440000e+00  5.5338800000e-01  2.0579920000e+00 -1.8905320000e+00 -8.9748000000e-01  2.2151800000e+00 -1.4878320000e+00
-ENERGY -1.526559380761e+02
-FORCES  1.9440000000e-04  4.2377000000e-03 -4.3451000000e-03  2.2512000000e-03 -2.8420000000e-03  2.3822000000e-03 -2.4532000000e-03 -1.9022000000e-03  2.3847000000e-03 -1.9400000000e-04  4.8223000000e-03 -2.8537000000e-03 -2.9182000000e-03 -1.7964000000e-03  2.0536000000e-03  3.1198000000e-03 -2.5194000000e-03  3.7820000000e-04
-
-JOB 64
-COORDS  4.0765500000e-01  1.1023150000e+00 -1.8276870000e+00  1.0146650000e+00  1.8210990000e+00 -2.0040950000e+00  3.2041000000e-01  6.5042000000e-01 -2.6669790000e+00 -4.9008800000e-01 -1.0951000000e+00  1.9153260000e+00  1.0331000000e-01 -1.7443680000e+00  2.2928990000e+00 -1.0742200000e-01 -8.8726400000e-01  1.0629160000e+00
-ENERGY -1.526556844708e+02
-FORCES  1.8937000000e-03  2.1406000000e-03 -4.7689000000e-03 -2.4540000000e-03 -3.1610000000e-03  5.3520000000e-04  5.6130000000e-04  1.7038000000e-03  3.6791000000e-03  3.9456000000e-03 -9.0580000000e-04 -2.7529000000e-03 -2.3156000000e-03  2.4567000000e-03 -1.4128000000e-03 -1.6310000000e-03 -2.2343000000e-03  4.7203000000e-03
-
-JOB 65
-COORDS  6.0284400000e-01  1.2185750000e+00 -1.8167550000e+00  1.4908780000e+00  8.6211500000e-01 -1.7929890000e+00  6.8292000000e-01  2.0885730000e+00 -1.4257020000e+00 -6.2324500000e-01 -1.2118930000e+00  1.8356730000e+00 -4.1908500000e-01 -2.0892400000e+00  1.5119260000e+00 -1.4412260000e+00 -9.7844700000e-01  1.3967650000e+00
-ENERGY -1.526546550154e+02
-FORCES  4.2029000000e-03  2.0300000000e-03  2.4605000000e-03 -3.5300000000e-03  1.4464000000e-03 -5.4470000000e-04 -4.0420000000e-04 -3.3519000000e-03 -1.9179000000e-03 -2.5947000000e-03 -2.2289000000e-03 -3.9965000000e-03 -6.7360000000e-04  3.3303000000e-03  1.5535000000e-03  2.9996000000e-03 -1.2259000000e-03  2.4452000000e-03
-
-JOB 66
-COORDS  6.2647200000e-01 -7.0823700000e-01 -2.0413710000e+00 -9.1201000000e-02 -1.3258620000e+00 -1.9009580000e+00  1.0415830000e+00 -1.0029420000e+00 -2.8519660000e+00 -6.3768700000e-01  7.8715600000e-01  2.1313630000e+00 -1.0026270000e+00  1.3086900000e-01  1.5377830000e+00  2.4192800000e-01  9.5423000000e-01  1.7928430000e+00
-ENERGY -1.526549874464e+02
-FORCES -8.7510000000e-04 -3.8158000000e-03 -3.8185000000e-03  2.8720000000e-03  2.7799000000e-03  1.3420000000e-04 -1.8187000000e-03  1.1244000000e-03  3.3738000000e-03  2.6329000000e-03 -1.7701000000e-03 -4.6095000000e-03  8.3840000000e-04  2.1910000000e-03  2.7056000000e-03 -3.6495000000e-03 -5.0940000000e-04  2.2143000000e-03
-
-JOB 67
-COORDS  1.1154080000e+00  1.9870840000e+00 -8.1068800000e-01  1.7049600000e+00  1.2572710000e+00 -1.0005110000e+00  3.5789500000e-01  1.5804670000e+00 -3.8989100000e-01 -1.1451160000e+00 -1.9094430000e+00  8.4801600000e-01 -3.8167000000e-01 -2.4827840000e+00  9.1629300000e-01 -1.1871120000e+00 -1.6751110000e+00 -7.9107000000e-02
-ENERGY -1.526541816639e+02
-FORCES -6.5680000000e-04 -4.2940000000e-03  1.7048000000e-03 -2.5457000000e-03  2.7418000000e-03  5.0920000000e-04  3.2381000000e-03  1.5946000000e-03 -2.6139000000e-03  2.2593000000e-03 -2.7274000000e-03 -3.2247000000e-03 -3.0805000000e-03  2.7794000000e-03 -4.6580000000e-04  7.8560000000e-04 -9.4400000000e-05  4.0905000000e-03
-
-JOB 68
-COORDS  3.0517600000e-01 -2.2721400000e-01  2.5925880000e+00  6.8677700000e-01 -7.7230000000e-03  1.7426250000e+00  7.7632400000e-01  3.2460800000e-01  3.2168820000e+00 -3.3771200000e-01  1.6389400000e-01 -2.5180250000e+00 -5.8427000000e-02 -2.2667100000e-01 -3.3460900000e+00 -9.4394900000e-01  8.5934200000e-01 -2.7730960000e+00
-ENERGY -1.526547999229e+02
-FORCES  3.3390000000e-03  2.9968000000e-03 -1.6566000000e-03 -1.2539000000e-03 -7.5790000000e-04  4.3451000000e-03 -1.9011000000e-03 -2.1778000000e-03 -2.4030000000e-03 -1.7507000000e-03  1.0049000000e-03 -4.6627000000e-03 -1.0944000000e-03  1.7065000000e-03  3.3779000000e-03  2.6610000000e-03 -2.7727000000e-03  9.9920000000e-04
-
-JOB 69
-COORDS  6.7354900000e-01 -2.0255370000e+00 -1.5571660000e+00  3.9792100000e-01 -2.8878560000e+00 -1.2462530000e+00  1.6275210000e+00 -2.0832700000e+00 -1.6104240000e+00 -6.9332300000e-01  2.0221840000e+00  1.5535560000e+00 -1.1345200000e-01  2.7576380000e+00  1.3558490000e+00 -1.5735480000e+00  2.3975250000e+00  1.5300140000e+00
-ENERGY -1.526535387088e+02
-FORCES  2.6612000000e-03 -3.4862000000e-03  1.6560000000e-03  1.1298000000e-03  3.3619000000e-03 -1.4864000000e-03 -3.8084000000e-03  1.9040000000e-04  4.3000000000e-06 -1.2300000000e-03  4.2629000000e-03 -1.4818000000e-03 -2.3027000000e-03 -2.8775000000e-03  1.0130000000e-03  3.5501000000e-03 -1.4516000000e-03  2.9480000000e-04
-
-JOB 70
-COORDS  3.9961400000e-01  1.1085500000e+00 -2.4659670000e+00  1.0701520000e+00  5.1054500000e-01 -2.7961190000e+00  5.9654800000e-01  1.9456220000e+00 -2.8863950000e+00 -4.5772700000e-01 -1.1884150000e+00  2.4744600000e+00 -1.0354410000e+00 -8.2953400000e-01  3.1480190000e+00  2.3060600000e-01 -5.3096800000e-01  2.3735010000e+00
-ENERGY -1.526540661755e+02
-FORCES  3.3754000000e-03  6.5860000000e-04 -3.2918000000e-03 -2.6340000000e-03  2.6336000000e-03  1.3804000000e-03 -7.9370000000e-04 -3.3767000000e-03  1.8444000000e-03  2.8630000000e-04  4.5073000000e-03  1.7480000000e-03  2.3557000000e-03 -1.5394000000e-03 -2.5559000000e-03 -2.5896000000e-03 -2.8833000000e-03  8.7490000000e-04
-
-JOB 71
-COORDS  8.8863200000e-01  2.6871310000e+00  3.8779900000e-01  1.6878590000e+00  2.8188270000e+00  8.9782200000e-01  2.2562100000e-01  3.2069680000e+00  8.4213100000e-01 -9.3032000000e-01 -2.7076770000e+00 -5.0332400000e-01  1.3993000000e-02 -2.6919020000e+00 -3.4757800000e-01 -1.3013650000e+00 -3.0572090000e+00  3.0685200000e-01
-ENERGY -1.526538640474e+02
-FORCES  2.8230000000e-04  2.7767000000e-03  3.7855000000e-03 -3.2255000000e-03 -6.9890000000e-04 -2.0639000000e-03  2.8269000000e-03 -2.0786000000e-03 -1.7693000000e-03  2.5462000000e-03 -8.0750000000e-04  3.9006000000e-03 -3.8555000000e-03 -5.0180000000e-04 -5.9010000000e-04  1.4255000000e-03  1.3100000000e-03 -3.2627000000e-03
-
-JOB 72
-COORDS -2.3357000000e-01 -2.9294490000e+00  3.0481600000e-01 -1.1414460000e+00 -2.6292080000e+00  2.6182100000e-01 -1.2983000000e-01 -3.4908820000e+00 -4.6347000000e-01  3.0931600000e-01  2.9543030000e+00 -1.9291700000e-01 -1.1447500000e-01  3.6079710000e+00 -7.4911200000e-01  2.5483900000e-01  2.1408260000e+00 -6.9443400000e-01
-ENERGY -1.526540211094e+02
-FORCES -3.3430000000e-03 -1.4148000000e-03 -2.9529000000e-03  3.8145000000e-03 -1.0859000000e-03 -5.6500000000e-05 -4.2220000000e-04  2.4708000000e-03  3.0752000000e-03 -1.6841000000e-03 -8.6850000000e-04 -4.1944000000e-03  1.6625000000e-03 -2.6866000000e-03  2.2623000000e-03 -2.7600000000e-05  3.5850000000e-03  1.8663000000e-03
-
-JOB 73
-COORDS -4.4346000000e-01 -4.7071000000e-02 -2.9335880000e+00 -3.0328300000e-01 -4.8854400000e-01 -3.7712540000e+00 -7.5676700000e-01 -7.3667900000e-01 -2.3483430000e+00  4.1894100000e-01  6.4851000000e-02  2.9921450000e+00  8.1780900000e-01 -2.2626100000e-01  2.1721510000e+00  6.0374600000e-01  1.0033180000e+00  3.0290110000e+00
-ENERGY -1.526544196761e+02
-FORCES -1.0439000000e-03 -4.6394000000e-03 -1.3490000000e-03 -5.3140000000e-04  1.7993000000e-03  3.4775000000e-03  1.6025000000e-03  2.8868000000e-03 -2.2371000000e-03  2.4624000000e-03  2.9427000000e-03 -3.2761000000e-03 -1.7519000000e-03  8.8430000000e-04  3.3818000000e-03 -7.3770000000e-04 -3.8737000000e-03  2.9000000000e-06
-
-JOB 74
-COORDS  1.5142300000e-01 -3.1020100000e-01  2.9377370000e+00 -7.6288900000e-01 -4.6515900000e-01  2.7005580000e+00  1.2320700000e-01 -8.4344000000e-02  3.8674810000e+00 -8.4198000000e-02  3.6857700000e-01 -3.0000910000e+00 -9.1253800000e-01 -5.9490000000e-02 -2.7836570000e+00  5.7761600000e-01 -3.1118900000e-01 -2.8730050000e+00
-ENERGY -1.526540242791e+02
-FORCES -3.8052000000e-03  6.0020000000e-04  2.9171000000e-03  3.7129000000e-03  4.3090000000e-04  8.5910000000e-04  9.4000000000e-05 -9.9010000000e-04 -3.7942000000e-03 -3.8120000000e-04 -4.4970000000e-03  1.7093000000e-03  3.1944000000e-03  1.7459000000e-03 -9.0780000000e-04 -2.8150000000e-03  2.7101000000e-03 -7.8340000000e-04
-
-JOB 75
-COORDS  4.6195000000e-02  2.4900250000e+00  2.4412520000e+00  1.3927400000e-01  2.8146520000e+00  3.3369000000e+00  2.5544000000e-02  1.5373800000e+00  2.5322030000e+00  7.3010000000e-03 -2.4317140000e+00 -2.4810920000e+00 -7.1909400000e-01 -2.4687380000e+00 -1.8588280000e+00 -3.4832300000e-01 -2.8049630000e+00 -3.2875960000e+00
-ENERGY -1.526539698355e+02
-FORCES  5.0490000000e-04 -2.5955000000e-03  3.9283000000e-03 -4.2720000000e-04 -1.3152000000e-03 -3.6450000000e-03 -9.3500000000e-05  3.8827000000e-03 -2.9230000000e-04 -4.4542000000e-03 -1.5189000000e-03 -9.0890000000e-04  3.0118000000e-03  7.9000000000e-05 -2.3985000000e-03  1.4582000000e-03  1.4681000000e-03  3.3165000000e-03
-
-JOB 76
-COORDS  1.8717100000e-01  1.3375220000e+00 -3.3826300000e+00 -1.5843300000e-01  5.5371700000e-01 -3.8097580000e+00 -1.9503300000e-01  1.3209780000e+00 -2.5052030000e+00 -1.7154700000e-01 -1.3148770000e+00  3.2919680000e+00  3.1517600000e-01 -5.0424800000e-01  3.4410080000e+00 -2.3320000000e-01 -1.7202620000e+00  4.1568920000e+00
-ENERGY -1.526543714080e+02
-FORCES -2.9999000000e-03 -3.4435000000e-03  1.9501000000e-03  1.4089000000e-03  3.2405000000e-03  1.6227000000e-03  1.5941000000e-03  2.4630000000e-04 -3.6260000000e-03  1.8208000000e-03  1.5547000000e-03  4.3021000000e-03 -2.0655000000e-03 -3.2728000000e-03 -7.1210000000e-04  2.4160000000e-04  1.6748000000e-03 -3.5368000000e-03
-
-JOB 77
-COORDS  1.5289670000e+00 -2.4365620000e+00  2.3221160000e+00  1.9840860000e+00 -3.0848590000e+00  2.8595250000e+00  9.7352000000e-01 -2.9548630000e+00  1.7398140000e+00 -1.5782100000e+00  2.5234740000e+00 -2.3483400000e+00 -1.4817690000e+00  2.0787520000e+00 -1.5062280000e+00 -6.8782400000e-01  2.5749950000e+00 -2.6958870000e+00
-ENERGY -1.526543421956e+02
-FORCES -3.4190000000e-04 -4.9086000000e-03 -1.6100000000e-05 -1.8681000000e-03  2.6467000000e-03 -2.2270000000e-03  2.2477000000e-03  2.2472000000e-03  2.2991000000e-03  4.1249000000e-03 -1.5521000000e-03  2.1706000000e-03 -5.0420000000e-04  1.7775000000e-03 -3.5384000000e-03 -3.6584000000e-03 -2.1070000000e-04  1.3118000000e-03
-
-JOB 78
-COORDS -8.5663400000e-01  1.6504860000e+00 -3.4537630000e+00 -8.7049600000e-01  1.5706210000e+00 -2.5000010000e+00 -6.0924600000e-01  2.5610390000e+00 -3.6147720000e+00  8.6644600000e-01 -1.6707860000e+00  3.3639050000e+00  1.2910300000e-01 -1.3526170000e+00  3.8847950000e+00  1.1290260000e+00 -2.4855270000e+00  3.7922500000e+00
-ENERGY -1.526542031126e+02
-FORCES  1.1054000000e-03  3.2531000000e-03  3.3673000000e-03 -8.1800000000e-05  4.4880000000e-04 -3.9805000000e-03 -1.0515000000e-03 -3.6619000000e-03  6.0670000000e-04 -1.8779000000e-03 -2.1888000000e-03  3.9053000000e-03  2.9925000000e-03 -1.2110000000e-03 -2.1823000000e-03 -1.0867000000e-03  3.3598000000e-03 -1.7164000000e-03
-
-JOB 79
-COORDS -3.2570060000e+00 -4.8764000000e-01 -2.2249310000e+00 -2.7298860000e+00  5.6842000000e-02 -1.6401970000e+00 -2.8220130000e+00 -1.3402440000e+00 -2.2160060000e+00  3.2141180000e+00  4.9207000000e-01  2.1261570000e+00  3.2545180000e+00 -1.7983300000e-01  2.8067060000e+00  3.0401060000e+00  1.3046500000e+00  2.6011990000e+00
-ENERGY -1.526542978257e+02
-FORCES  4.1144000000e-03 -1.2315000000e-03  2.3927000000e-03 -2.2956000000e-03 -2.1912000000e-03 -2.3556000000e-03 -1.8748000000e-03  3.4145000000e-03 -4.2000000000e-05 -3.0410000000e-04  6.3490000000e-04  4.8163000000e-03 -2.5660000000e-04  2.7267000000e-03 -2.8285000000e-03  6.1670000000e-04 -3.3534000000e-03 -1.9828000000e-03
-
-JOB 80
-COORDS -1.3717700000e-01  5.0886050000e+00 -1.3319430000e+00 -2.9973700000e-01  5.9710830000e+00 -1.6651660000e+00 -9.8207900000e-01  4.6448260000e+00 -1.4056530000e+00  2.0038500000e-01 -5.1538430000e+00  1.4046960000e+00 -5.9964400000e-01 -4.7545460000e+00  1.0630120000e+00  8.9768600000e-01 -4.8096590000e+00  8.4653900000e-01
-ENERGY -1.526540942196e+02
-FORCES -4.1061000000e-03  1.8743000000e-03 -1.6377000000e-03  6.5680000000e-04 -3.6219000000e-03  1.3506000000e-03  3.4566000000e-03  1.7508000000e-03  2.9080000000e-04 -3.6960000000e-04  3.0815000000e-03 -3.6564000000e-03  3.2286000000e-03 -1.6463000000e-03  1.3874000000e-03 -2.8662000000e-03 -1.4384000000e-03  2.2654000000e-03
-
-JOB 81
-COORDS -9.9572400000e-01 -5.2077090000e+00 -2.1784930000e+00 -3.3300400000e-01 -4.5267980000e+00 -2.0627570000e+00 -1.7417030000e+00 -4.9072600000e+00 -1.6593800000e+00  9.8327700000e-01  5.1138090000e+00  2.1862270000e+00  3.8866000000e-01  5.6734640000e+00  1.6867790000e+00  1.8546560000e+00  5.3372210000e+00  1.8590920000e+00
-ENERGY -1.526541429588e+02
-FORCES -3.3440000000e-04  4.0178000000e-03  2.6407000000e-03 -2.6954000000e-03 -2.7861000000e-03 -5.0820000000e-04  3.0282000000e-03 -1.2387000000e-03 -2.1419000000e-03  1.1480000000e-03  3.2711000000e-03 -3.3293000000e-03  2.4183000000e-03 -2.3196000000e-03  2.0215000000e-03 -3.5647000000e-03 -9.4440000000e-04  1.3172000000e-03
-
-JOB 82
-COORDS  6.2476700000e-01  3.6025200000e+00 -4.9300940000e+00  6.2172400000e-01  2.6495100000e+00 -5.0195010000e+00  5.6421400000e-01  3.9280130000e+00 -5.8282140000e+00 -5.7284200000e-01 -3.5951970000e+00  4.9581140000e+00 -8.6039700000e-01 -2.6938870000e+00  4.8125660000e+00 -1.2432600000e+00 -3.9719180000e+00  5.5280710000e+00
-ENERGY -1.526541069981e+02
-FORCES -2.2990000000e-04 -2.5762000000e-03 -4.0331000000e-03 -5.7000000000e-06  3.8989000000e-03  3.6460000000e-04  2.3700000000e-04 -1.3208000000e-03  3.6640000000e-03 -3.8968000000e-03  2.1734000000e-03  1.7382000000e-03  1.1642000000e-03 -3.6981000000e-03  5.9390000000e-04  2.7313000000e-03  1.5229000000e-03 -2.3276000000e-03
-
-JOB 83
-COORDS -6.1986030000e+00  1.2866120000e+00  1.4442780000e+00 -5.9947770000e+00  3.5717600000e-01  1.3401850000e+00 -6.9117540000e+00  1.4465980000e+00  8.2617400000e-01  6.1893040000e+00 -1.3002240000e+00 -1.4355580000e+00  6.7077770000e+00 -6.4099200000e-01 -1.8968930000e+00  6.2918160000e+00 -1.0811840000e+00 -5.0941300000e-01
-ENERGY -1.526541057662e+02
-FORCES -2.0581000000e-03 -3.1552000000e-03 -2.9651000000e-03 -8.4550000000e-04  3.7971000000e-03  4.3740000000e-04  2.8993000000e-03 -6.4330000000e-04  2.5272000000e-03  2.5223000000e-03  3.6046000000e-03  1.9086000000e-03 -2.1084000000e-03 -2.6970000000e-03  1.8735000000e-03 -4.0960000000e-04 -9.0620000000e-04 -3.7816000000e-03
-
-JOB 84
-COORDS  1.3950890000e+00 -6.8828400000e+00  1.4147780000e+00  2.2827670000e+00 -6.6332250000e+00  1.6715910000e+00  1.1526030000e+00 -7.5743650000e+00  2.0305900000e+00 -1.4756530000e+00  6.8631390000e+00 -1.4341160000e+00 -5.4760500000e-01  6.9133580000e+00 -1.2051250000e+00 -1.5922840000e+00  7.5299710000e+00 -2.1108460000e+00
-ENERGY -1.526540438494e+02
-FORCES  2.6127000000e-03 -1.7856000000e-03  3.5656000000e-03 -3.6120000000e-03 -1.0251000000e-03 -1.0508000000e-03  9.9770000000e-04  2.8140000000e-03 -2.5145000000e-03  3.3102000000e-03  2.8961000000e-03 -1.8373000000e-03 -3.7844000000e-03 -1.8930000000e-04 -9.2850000000e-04  4.7590000000e-04 -2.7102000000e-03  2.7655000000e-03
-
-JOB 85
-COORDS -3.6820670000e+00  5.7031440000e+00  3.0967480000e+00 -3.3083130000e+00  5.0439590000e+00  2.5119270000e+00 -4.5688510000e+00  5.8433310000e+00  2.7647960000e+00  3.6852120000e+00 -5.7161850000e+00 -3.0947710000e+00  3.5962500000e+00 -4.7632610000e+00 -3.0788640000e+00  4.1604080000e+00 -5.9263060000e+00 -2.2908610000e+00
-ENERGY -1.526540727218e+02
-FORCES -2.1174000000e-03 -2.1055000000e-03 -3.7372000000e-03 -1.5065000000e-03  2.6818000000e-03  2.3859000000e-03  3.6261000000e-03 -5.7590000000e-04  1.3524000000e-03  1.6012000000e-03  3.0164000000e-03  3.3450000000e-03  3.4520000000e-04 -3.8802000000e-03 -6.5500000000e-05 -1.9486000000e-03  8.6340000000e-04 -3.2807000000e-03
-
-JOB 86
-COORDS  5.6601070000e+00  4.3029500000e+00 -5.0806490000e+00  4.8837460000e+00  4.5913230000e+00 -5.5605820000e+00  6.3042910000e+00  4.9954490000e+00 -5.2279730000e+00 -5.6521580000e+00 -4.4014440000e+00  5.1661200000e+00 -6.3791490000e+00 -3.8662150000e+00  4.8479260000e+00 -4.9201980000e+00 -4.1782890000e+00  4.5910820000e+00
-ENERGY -1.526540841764e+02
-FORCES -5.2120000000e-04  4.0055000000e-03 -2.5659000000e-03  3.1572000000e-03 -1.1807000000e-03  1.9636000000e-03 -2.6343000000e-03 -2.8249000000e-03  6.0230000000e-04  3.6200000000e-05  3.0943000000e-03 -3.6470000000e-03  2.9576000000e-03 -2.1834000000e-03  1.2999000000e-03 -2.9955000000e-03 -9.1070000000e-04  2.3470000000e-03
-
-JOB 87
-COORDS -9.4037450000e+00 -8.6722600000e-01  2.7334590000e+00 -8.9495670000e+00 -1.6496010000e+00  2.4206580000e+00 -1.0333232000e+01 -1.0751430000e+00  2.6382970000e+00  9.4417970000e+00  8.5389700000e-01 -2.6796220000e+00  9.8480010000e+00  1.1875260000e+00 -3.4795730000e+00  8.8275640000e+00  1.5399220000e+00 -2.4182420000e+00
-ENERGY -1.526540820076e+02
-FORCES -1.9365000000e-03 -4.0457000000e-03 -1.6596000000e-03 -1.8544000000e-03  3.1945000000e-03  1.2734000000e-03  3.7904000000e-03  8.5090000000e-04  3.8640000000e-04 -8.5230000000e-04  4.1644000000e-03 -2.1911000000e-03 -1.6552000000e-03 -1.3637000000e-03  3.2606000000e-03  2.5081000000e-03 -2.8004000000e-03 -1.0697000000e-03
-
-JOB 88
-COORDS  8.9965190000e+00 -5.1061430000e+00  1.2696890000e+00  8.6509040000e+00 -5.7392730000e+00  6.4046000000e-01  9.9066100000e+00 -4.9754950000e+00  1.0034230000e+00 -9.0677320000e+00  5.0915330000e+00 -1.1851200000e+00 -8.3428220000e+00  5.6332380000e+00 -8.7320200000e-01 -9.0870840000e+00  5.2379340000e+00 -2.1308600000e+00
-ENERGY -1.526540736373e+02
-FORCES  2.3010000000e-03 -2.0564000000e-03 -3.6486000000e-03  1.4114000000e-03  2.5859000000e-03  2.5644000000e-03 -3.7125000000e-03 -5.2980000000e-04  1.0844000000e-03  2.8854000000e-03  2.8037000000e-03 -2.5792000000e-03 -2.9610000000e-03 -2.2069000000e-03 -1.2762000000e-03  7.5700000000e-05 -5.9660000000e-04  3.8552000000e-03
-
-JOB 89
-COORDS  1.0158095000e+01 -2.6113370000e+00  1.5182530000e+00  1.0388079000e+01 -2.8153180000e+00  2.4247470000e+00  9.6527850000e+00 -1.8004020000e+00  1.5755210000e+00 -1.0136966000e+01  2.5356030000e+00 -1.6082280000e+00 -1.0500921000e+01  2.4790400000e+00 -7.2473000000e-01 -9.9065200000e+00  3.4585840000e+00 -1.7142130000e+00
-ENERGY -1.526540672354e+02
-FORCES -1.1283000000e-03  2.4722000000e-03  3.9275000000e-03 -9.3640000000e-04  8.3400000000e-04 -3.6965000000e-03  2.0642000000e-03 -3.3059000000e-03 -2.3080000000e-04 -5.4920000000e-04  3.5327000000e-03  3.1664000000e-03  1.4875000000e-03  2.3180000000e-04 -3.6021000000e-03 -9.3780000000e-04 -3.7649000000e-03  4.3550000000e-04
-
-JOB 0
-COORDS -1.7379000000e-02 -3.5221000000e-01  1.2339910000e+00  7.3173500000e-01  1.5143800000e-01  1.5524240000e+00  3.4931800000e-01 -1.2041400000e+00  9.9739200000e-01 -1.0334200000e-01  3.7150600000e-01 -1.2843150000e+00 -1.2733900000e-01  2.4740600000e-01 -3.3549800000e-01  8.2003100000e-01  5.2726000000e-01 -1.4826970000e+00
-ENERGY -1.526562766396e+02
-FORCES  2.9600000000e-03 -7.0740000000e-04 -7.9564000000e-03 -3.9162000000e-03 -2.3550000000e-03 -5.5801000000e-03 -1.1359000000e-03  6.6688000000e-03 -1.9800000000e-05  7.1120000000e-04 -4.0340000000e-03  2.0341600000e-02  3.5570000000e-03  1.7491000000e-03 -9.6886000000e-03 -2.1762000000e-03 -1.3215000000e-03  2.9032000000e-03
-
-JOB 1
-COORDS  2.1183300000e-01 -1.3708500000e-01  1.3497820000e+00  7.2738300000e-01 -9.1130300000e-01  1.1238900000e+00  7.0000000000e-03  2.6896700000e-01  5.0752500000e-01 -1.9917000000e-01  1.5760500000e-01 -1.2311250000e+00 -9.5495400000e-01 -3.7308400000e-01 -1.4829040000e+00 -6.6619000000e-02  7.5204100000e-01 -1.9695740000e+00
-ENERGY -1.526586280963e+02
-FORCES  2.6830000000e-04  8.9410000000e-04 -1.8360300000e-02 -1.5108000000e-03  8.2110000000e-04  1.6165000000e-03 -9.4430000000e-04  1.0600000000e-05  6.4073000000e-03 -7.3700000000e-04 -1.1300000000e-03  6.5901000000e-03  4.4500000000e-03  3.2536000000e-03  3.0260000000e-04 -1.5262000000e-03 -3.8494000000e-03  3.4437000000e-03
-
-JOB 2
-COORDS  2.1412700000e-01 -1.1148400000e+00  5.3769200000e-01 -3.4785800000e-01 -1.3477100000e+00  1.2767290000e+00  9.1415000000e-01 -1.7674880000e+00  5.5352900000e-01 -2.2968500000e-01  1.1867170000e+00 -6.3484700000e-01 -6.3632000000e-02  2.7264400000e-01 -4.0434800000e-01 -2.7534400000e-01  1.6417740000e+00  2.0602700000e-01
-ENERGY -1.526578303590e+02
-FORCES -1.8029000000e-03  8.2135000000e-03 -3.6562000000e-03  4.2520000000e-03  5.8140000000e-04 -2.9565000000e-03 -4.3502000000e-03  2.6643000000e-03  1.4352000000e-03  4.3096000000e-03 -1.5131400000e-02  1.0505100000e-02 -1.6621000000e-03  4.4755000000e-03 -3.6672000000e-03 -7.4640000000e-04 -8.0330000000e-04 -1.6604000000e-03
-
-JOB 3
-COORDS  4.0560800000e-01 -6.4421400000e-01 -1.1306970000e+00  6.1578700000e-01  1.4780700000e-01 -1.6254290000e+00  4.0960600000e-01 -3.6366500000e-01 -2.1554200000e-01 -3.5596400000e-01  5.6280800000e-01  1.1379770000e+00 -1.1479680000e+00  4.7690000000e-02  9.8430700000e-01 -5.7852400000e-01  1.4421470000e+00  8.3226000000e-01
-ENERGY -1.526574603340e+02
-FORCES -1.1095000000e-03  1.0835300000e-02  1.3956500000e-02 -1.4042000000e-03 -1.6407000000e-03  1.4921000000e-03 -1.5332000000e-03 -6.2379000000e-03 -6.6042000000e-03 -3.5842000000e-03 -4.8940000000e-04 -9.2893000000e-03  6.3203000000e-03  2.0949000000e-03 -3.0420000000e-04  1.3107000000e-03 -4.5622000000e-03  7.4910000000e-04
-
-JOB 4
-COORDS -2.4308000000e-02  1.2807390000e+00  1.8176100000e-01 -8.3292300000e-01  1.1837140000e+00  6.8471300000e-01  5.3935800000e-01  1.8210240000e+00  7.3548100000e-01  7.7124000000e-02 -1.3570280000e+00 -2.2722800000e-01 -7.2299700000e-01 -1.4044140000e+00 -7.5048000000e-01  1.8364600000e-01 -4.2530000000e-01 -3.5477000000e-02
-ENERGY -1.526585022074e+02
-FORCES  1.0110000000e-04 -4.5177000000e-03  2.2899000000e-03  5.4895000000e-03 -1.7876000000e-03 -3.4694000000e-03 -3.8779000000e-03 -3.1318000000e-03 -2.2784000000e-03  7.4000000000e-05  1.7474800000e-02 -5.8660000000e-04  1.3821000000e-03  1.0033000000e-03  2.5590000000e-03 -3.1688000000e-03 -9.0411000000e-03  1.4855000000e-03
-
-JOB 5
-COORDS  9.8079000000e-02  1.2469430000e+00  3.1958200000e-01 -6.4636700000e-01  1.8461500000e+00  2.6496500000e-01  4.2618100000e-01  1.3526010000e+00  1.2125650000e+00 -1.2163500000e-01 -1.3443140000e+00 -3.6602400000e-01  7.4210400000e-01 -1.3336650000e+00 -7.7842300000e-01 -2.2519400000e-01 -4.6462400000e-01 -3.1830000000e-03
-ENERGY -1.526596996676e+02
-FORCES -1.2377000000e-03 -2.8892000000e-03  1.9460000000e-04  4.0273000000e-03 -3.7319000000e-03  1.3007000000e-03 -2.5475000000e-03 -1.1603000000e-03 -5.1104000000e-03  3.7564000000e-03  1.7216400000e-02  2.1341000000e-03 -1.7749000000e-03 -8.9850000000e-04  1.2296000000e-03 -2.2236000000e-03 -8.5364000000e-03  2.5150000000e-04
-
-JOB 6
-COORDS  9.6846000000e-01 -9.2348700000e-01  4.2105000000e-02  8.7887100000e-01 -1.3242160000e+00 -8.2254600000e-01  3.4703600000e-01 -1.3996600000e+00  5.9285300000e-01 -9.6566500000e-01  9.6245700000e-01  3.1941000000e-02 -6.9123000000e-02  6.6863100000e-01 -1.2964400000e-01 -1.2122690000e+00  1.4305030000e+00 -7.6577500000e-01
-ENERGY -1.526591668506e+02
-FORCES -9.2673000000e-03 -1.7836000000e-03  3.8330000000e-04 -2.0570000000e-04  3.4566000000e-03  3.6624000000e-03  4.1981000000e-03  1.7081000000e-03 -3.1492000000e-03  1.0663100000e-02 -6.4111000000e-03 -1.1745000000e-03 -7.9474000000e-03  6.2522000000e-03 -1.4119000000e-03  2.5591000000e-03 -3.2222000000e-03  1.6898000000e-03
-
-JOB 7
-COORDS -1.1911410000e+00 -5.5270100000e-01 -6.0584000000e-02 -1.9963900000e+00 -3.2398600000e-01  4.0363100000e-01 -1.3636330000e+00 -3.1519000000e-01 -9.7166400000e-01  1.2656630000e+00  5.1480100000e-01  1.4252000000e-02  4.3982000000e-01  2.0526300000e-01  3.8627500000e-01  1.6575830000e+00  1.0451480000e+00  7.0805600000e-01
-ENERGY -1.526599239296e+02
-FORCES  2.0281000000e-03  3.6679000000e-03 -4.7512000000e-03  4.5266000000e-03 -1.1920000000e-04 -2.2050000000e-03 -1.0581000000e-03 -1.4718000000e-03  5.2780000000e-03 -1.1028800000e-02 -5.0313000000e-03  1.7349000000e-03  9.1393000000e-03  5.1151000000e-03  1.1624000000e-03 -3.6071000000e-03 -2.1607000000e-03 -1.2192000000e-03
-
-JOB 8
-COORDS  7.5998100000e-01 -3.0012000000e-02  1.1291840000e+00  5.4184400000e-01  1.9065800000e-01  2.0346970000e+00 -8.5387000000e-02 -7.2596000000e-02  6.8222800000e-01 -7.6023300000e-01  1.8365000000e-02 -1.1342240000e+00 -2.5083300000e-01  8.1955800000e-01 -1.2560140000e+00 -1.6604100000e-01 -6.8564500000e-01 -1.3941060000e+00
-ENERGY -1.526604238299e+02
-FORCES -8.4649000000e-03 -3.8590000000e-04 -6.0064000000e-03 -1.2666000000e-03 -2.8060000000e-04 -4.3134000000e-03  7.7811000000e-03  3.6650000000e-04  6.6557000000e-03  8.8169000000e-03  8.8960000000e-04 -8.6830000000e-04 -3.3365000000e-03 -4.1426000000e-03  1.8153000000e-03 -3.5300000000e-03  3.5530000000e-03  2.7171000000e-03
-
-JOB 9
-COORDS -6.9958000000e-02 -1.1797650000e+00 -5.3290800000e-01  5.0456200000e-01 -1.8776480000e+00 -2.1807700000e-01 -2.4367100000e-01 -1.4058280000e+00 -1.4466650000e+00  7.4248000000e-02  1.2708290000e+00  6.2890700000e-01 -4.1674700000e-01  1.6215560000e+00 -1.1415900000e-01  1.5487000000e-01  3.3528400000e-01  4.4320300000e-01
-ENERGY -1.526580671778e+02
-FORCES  8.4890000000e-04  4.6092000000e-03 -1.1631000000e-03 -2.7370000000e-03  4.5706000000e-03 -1.5314000000e-03  1.0920000000e-03 -2.5840000000e-04  4.5187000000e-03 -3.1040000000e-03 -1.2847100000e-02 -9.8929000000e-03  1.0916000000e-03  5.8090000000e-04  1.7324000000e-03  2.8085000000e-03  3.3448000000e-03  6.3364000000e-03
-
-JOB 10
-COORDS  6.9894600000e-01  8.9191100000e-01  6.8623400000e-01  1.5492110000e+00  4.6333100000e-01  5.8825100000e-01  8.4666400000e-01  1.7892460000e+00  3.8756800000e-01 -7.5553300000e-01 -9.6535500000e-01 -7.1018400000e-01 -1.5475310000e+00 -5.3815200000e-01 -3.8388900000e-01 -4.7636000000e-02 -5.9145900000e-01 -1.8547900000e-01
-ENERGY -1.526562770668e+02
-FORCES -8.0470000000e-04  9.4810000000e-04 -5.9264000000e-03 -7.4184000000e-03 -4.5560000000e-04 -1.7723000000e-03  1.5530000000e-04 -4.1174000000e-03  2.4803000000e-03  3.6769000000e-03  1.3057900000e-02  9.2893000000e-03  5.4140000000e-04 -1.9671000000e-03 -2.1499000000e-03  3.8494000000e-03 -7.4660000000e-03 -1.9211000000e-03
-
-JOB 11
-COORDS -4.8024200000e-01 -1.1491280000e+00  6.3436600000e-01 -2.3494100000e-01 -1.9903050000e+00  2.4903300000e-01  5.7328000000e-02 -5.0694300000e-01  1.7084800000e-01  4.6754500000e-01  1.0991720000e+00 -5.7509700000e-01  3.3079700000e-01  1.7723120000e+00  9.1547000000e-02  3.9961000000e-02  1.4463540000e+00 -1.3579570000e+00
-ENERGY -1.526607554469e+02
-FORCES  5.6493000000e-03  9.2582000000e-03 -7.1778000000e-03 -2.1160000000e-04  3.6396000000e-03 -2.7660000000e-04 -2.2449000000e-03 -8.3895000000e-03  5.9756000000e-03 -6.0538000000e-03 -9.1560000000e-04  1.5981000000e-03  4.6570000000e-04 -3.2529000000e-03 -4.0416000000e-03  2.3952000000e-03 -3.3980000000e-04  3.9222000000e-03
-
-JOB 12
-COORDS  8.5029900000e-01 -2.3436000000e-01  1.1034020000e+00  9.8391400000e-01 -1.1685700000e+00  1.2634990000e+00  2.4112300000e-01 -2.0200300000e-01  3.6577800000e-01 -7.8589300000e-01  3.0367900000e-01 -1.0120020000e+00 -5.9766800000e-01 -3.1231600000e-01 -1.7200650000e+00 -1.6331880000e+00  6.8400500000e-01 -1.2436830000e+00
-ENERGY -1.526591977491e+02
-FORCES -8.4195000000e-03  1.7343000000e-03 -8.2719000000e-03 -1.2801000000e-03  2.7150000000e-03 -2.3040000000e-03  7.1659000000e-03 -4.9361000000e-03  4.4907000000e-03 -5.7840000000e-04  6.5410000000e-04  2.1931000000e-03 -1.1147000000e-03  2.2902000000e-03  5.0779000000e-03  4.2267000000e-03 -2.4576000000e-03 -1.1858000000e-03
-
-JOB 13
-COORDS -1.1946820000e+00 -7.5573800000e-01  1.2805300000e-01 -3.2466500000e-01 -4.2327200000e-01 -9.2787000000e-02 -1.0350990000e+00 -1.6329080000e+00  4.7638800000e-01  1.0766810000e+00  7.7791900000e-01 -1.7124400000e-01  1.1265380000e+00  8.8238300000e-01  7.7893100000e-01  1.9843280000e+00  8.4419900000e-01 -4.6791800000e-01
-ENERGY -1.526600776194e+02
-FORCES  9.7561000000e-03  3.3102000000e-03 -3.3975000000e-03 -7.4285000000e-03 -4.4876000000e-03  5.3905000000e-03  8.7320000000e-04  3.4287000000e-03 -7.8460000000e-04  8.4380000000e-04  2.4620000000e-04  1.6490000000e-03  2.4400000000e-05 -2.7113000000e-03 -5.7202000000e-03 -4.0690000000e-03  2.1380000000e-04  2.8628000000e-03
-
-JOB 14
-COORDS -9.4418100000e-01 -1.0946840000e+00 -7.8325000000e-02 -1.3737510000e+00 -6.3539200000e-01  6.4330700000e-01 -1.4974800000e-01 -5.8784800000e-01 -2.4632800000e-01  9.1270000000e-01  9.6886600000e-01  2.0367000000e-02  6.9553100000e-01  1.7816010000e+00 -4.3628700000e-01  1.2648730000e+00  1.2540570000e+00  8.6349900000e-01
-ENERGY -1.526595692400e+02
-FORCES  8.1092000000e-03  1.1756500000e-02  2.8309000000e-03 -1.7470000000e-04 -1.9135000000e-03 -1.2034000000e-03 -4.0017000000e-03 -6.4342000000e-03 -2.0473000000e-03 -2.6565000000e-03  3.6490000000e-04  1.2884000000e-03  1.2244000000e-03 -3.5242000000e-03  3.2900000000e-03 -2.5008000000e-03 -2.4950000000e-04 -4.1586000000e-03
-
-JOB 15
-COORDS  5.6236700000e-01  9.5544900000e-01 -8.9526600000e-01  3.1818000000e-01  1.7234000000e-01 -4.0196600000e-01 -5.7519000000e-02  9.8296000000e-01 -1.6241120000e+00 -4.8722100000e-01 -8.8449500000e-01  8.6532200000e-01 -6.0029800000e-01 -6.2297500000e-01  1.7791350000e+00 -9.2706700000e-01 -1.7323010000e+00  8.0214300000e-01
-ENERGY -1.526604070833e+02
-FORCES -6.8899000000e-03 -8.6958000000e-03  6.1790000000e-03  4.0166000000e-03  5.1890000000e-03 -5.7954000000e-03  1.5709000000e-03 -6.2270000000e-04  2.0322000000e-03  3.3470000000e-04  2.9286000000e-03  4.1780000000e-04 -4.2410000000e-04 -3.1957000000e-03 -3.9250000000e-03  1.3919000000e-03  4.3965000000e-03  1.0915000000e-03
-
-JOB 16
-COORDS -4.4627200000e-01 -1.3295640000e+00  2.0244400000e-01 -1.0134600000e-01 -2.0425560000e+00 -3.3504900000e-01 -5.8282200000e-01 -6.0938500000e-01 -4.1312800000e-01  3.9141000000e-01  1.3631840000e+00 -1.0817400000e-01  7.4491500000e-01  1.4587810000e+00 -9.9255400000e-01  8.4508000000e-01  6.0043000000e-01  2.5046500000e-01
-ENERGY -1.526575554339e+02
-FORCES -2.6228000000e-03  4.0235000000e-03 -4.3857000000e-03 -2.6380000000e-04  4.7871000000e-03  1.6810000000e-03  4.1469000000e-03 -6.5252000000e-03  2.0285000000e-03  4.9320000000e-03 -4.0847000000e-03  2.3056000000e-03 -3.2358000000e-03 -2.8274000000e-03  3.4799000000e-03 -2.9564000000e-03  4.6268000000e-03 -5.1094000000e-03
-
-JOB 17
-COORDS  7.1823500000e-01  8.6681600000e-01 -8.6560000000e-01  3.3353100000e-01  5.3915000000e-02 -1.1933600000e+00  7.4028000000e-02  1.5411810000e+00 -1.0811470000e+00 -7.2146500000e-01 -8.7182100000e-01  8.7079500000e-01 -2.5540300000e-01 -1.3912860000e+00  1.5259090000e+00 -1.1850600000e-01 -1.6029500000e-01  6.5538400000e-01
-ENERGY -1.526604317106e+02
-FORCES -4.7749000000e-03 -1.2986000000e-03 -4.9253000000e-03  2.1437000000e-03  4.9786000000e-03  5.6202000000e-03  2.8468000000e-03 -3.7879000000e-03  1.8885000000e-03  6.4740000000e-03  5.5507000000e-03  1.5750000000e-04 -7.7410000000e-04  2.5091000000e-03 -2.8288000000e-03 -5.9155000000e-03 -7.9518000000e-03  8.7900000000e-05
-
-JOB 18
-COORDS  5.1876200000e-01 -3.2970000000e-02  1.2653190000e+00  3.1017200000e-01  7.7097900000e-01  1.7411220000e+00  2.8909000000e-02 -7.1645000000e-01  1.7226280000e+00 -4.7092300000e-01  4.5838000000e-02 -1.3862670000e+00 -1.2143340000e+00 -2.0069200000e-01 -8.3599800000e-01  2.9152800000e-01 -4.6316000000e-02 -8.1494500000e-01
-ENERGY -1.526579891838e+02
-FORCES -3.7310000000e-03  1.6902000000e-03  8.3910000000e-04  3.8940000000e-04 -4.4481000000e-03 -1.7210000000e-03  1.1186000000e-03  3.7476000000e-03 -2.9625000000e-03  3.1456000000e-03 -9.5350000000e-04  1.3462900000e-02 -1.9400000000e-04  1.3650000000e-04 -2.3963000000e-03 -7.2860000000e-04 -1.7270000000e-04 -7.2222000000e-03
-
-JOB 19
-COORDS  8.6882200000e-01 -1.0204890000e+00  5.5128000000e-01  1.7426640000e+00 -6.3066300000e-01  5.2544500000e-01  2.7325500000e-01 -2.8383600000e-01  4.1389500000e-01 -8.5755300000e-01  8.9483900000e-01 -5.6084200000e-01 -1.6815060000e+00  1.1057200000e+00 -1.2168000000e-01 -4.3565600000e-01  1.7427770000e+00 -6.9953100000e-01
-ENERGY -1.526594129274e+02
-FORCES -5.7679000000e-03  9.3089000000e-03 -5.4817000000e-03 -2.9947000000e-03 -2.3090000000e-04 -2.9990000000e-04  6.3008000000e-03 -5.6604000000e-03  6.1927000000e-03 -1.0525000000e-03  2.4242000000e-03 -4.3690000000e-04  5.1910000000e-03 -1.0091000000e-03 -1.7784000000e-03 -1.6768000000e-03 -4.8328000000e-03  1.8043000000e-03
-
-JOB 20
-COORDS -6.2737400000e-01 -3.5557400000e-01  1.2379330000e+00 -6.9161900000e-01  2.8971500000e-01  1.9419970000e+00 -2.3381400000e-01  1.2339000000e-01  5.0859400000e-01  5.5258200000e-01  3.2838600000e-01 -1.2314590000e+00  7.2353300000e-01 -6.0817300000e-01 -1.3307790000e+00  1.4188620000e+00  7.3465900000e-01 -1.2585510000e+00
-ENERGY -1.526613397564e+02
-FORCES  3.4434000000e-03  5.8784000000e-03 -7.9112000000e-03  1.1433000000e-03 -1.1356000000e-03 -3.1532000000e-03 -3.2897000000e-03 -4.5486000000e-03  9.7315000000e-03  3.6873000000e-03 -3.8371000000e-03 -1.0052000000e-03 -6.3530000000e-04  5.9055000000e-03  1.5014000000e-03 -4.3490000000e-03 -2.2626000000e-03  8.3680000000e-04
-
-JOB 21
-COORDS  1.0910600000e-01 -1.2690550000e+00 -4.9297500000e-01 -1.0775200000e-01 -9.2473400000e-01 -1.3593740000e+00  5.5147000000e-01 -2.0995370000e+00 -6.6860600000e-01 -1.8269500000e-01  1.3178170000e+00  5.2728900000e-01  2.1817200000e-01  1.6619390000e+00  1.3254860000e+00  4.4406100000e-01  6.7074900000e-01  2.0369600000e-01
-ENERGY -1.526575219933e+02
-FORCES -2.1819000000e-03 -1.4831000000e-03 -3.4316000000e-03  3.3206000000e-03 -9.1870000000e-04  5.0351000000e-03 -2.4347000000e-03  4.0572000000e-03  8.8350000000e-04  3.4480000000e-03 -8.1204000000e-03  9.0180000000e-04 -9.5610000000e-04 -1.9240000000e-03 -2.6380000000e-03 -1.1960000000e-03  8.3890000000e-03 -7.5090000000e-04
-
-JOB 22
-COORDS -7.4307700000e-01  1.2118790000e+00 -3.4628300000e-01 -4.4929700000e-01  1.3506550000e+00 -1.2466520000e+00 -3.6571400000e-01  3.6794100000e-01 -9.8097000000e-02  6.7399400000e-01 -1.1143700000e+00  3.8635000000e-01  4.5433900000e-01 -1.8474990000e+00 -1.8854700000e-01  1.4455340000e+00 -1.4107920000e+00  8.6914600000e-01
-ENERGY -1.526601091215e+02
-FORCES  7.5704000000e-03 -8.1060000000e-03  1.4440000000e-03 -9.6010000000e-04 -9.8200000000e-04  2.4087000000e-03 -6.4436000000e-03  5.0027000000e-03 -4.2758000000e-03  2.0582000000e-03  3.5580000000e-04  1.2095000000e-03  1.2930000000e-03  4.5201000000e-03  2.4084000000e-03 -3.5180000000e-03 -7.9060000000e-04 -3.1948000000e-03
-
-JOB 23
-COORDS  2.4066900000e-01 -8.5756500000e-01  1.1555620000e+00  2.3952000000e-02 -4.2853600000e-01  3.2779400000e-01 -4.2876400000e-01 -1.5340680000e+00  1.2577090000e+00 -2.1149300000e-01  8.6782000000e-01 -1.0463650000e+00 -5.2077200000e-01  4.2912300000e-01 -1.8389080000e+00  5.4064400000e-01  1.3842480000e+00 -1.3358890000e+00
-ENERGY -1.526606946248e+02
-FORCES -3.6484000000e-03  6.1111000000e-03 -8.0914000000e-03  1.0851000000e-03 -8.6888000000e-03  6.9663000000e-03  1.6534000000e-03  2.4939000000e-03 -1.7886000000e-03  3.3204000000e-03  1.6423000000e-03 -2.2664000000e-03  1.9535000000e-03  1.1273000000e-03  4.9782000000e-03 -4.3640000000e-03 -2.6859000000e-03  2.0200000000e-04
-
-JOB 24
-COORDS -3.0266100000e-01 -1.3083910000e+00  5.4622000000e-01 -1.1092650000e+00 -1.5974900000e+00  9.7288600000e-01 -3.8129900000e-01 -3.5532100000e-01  5.0493700000e-01  2.8100200000e-01  1.2705110000e+00 -5.8075200000e-01  7.4099600000e-01  1.8914610000e+00 -1.5900000000e-02  9.6725900000e-01  6.8750900000e-01 -9.0539400000e-01
-ENERGY -1.526610010987e+02
-FORCES -2.5206000000e-03  7.5086000000e-03 -1.5708000000e-03  2.4977000000e-03  2.3729000000e-03 -1.3355000000e-03  5.2150000000e-04 -9.3797000000e-03  3.9317000000e-03  6.0738000000e-03 -1.8460000000e-04 -2.2709000000e-03 -2.5798000000e-03 -3.9833000000e-03 -1.8589000000e-03 -3.9926000000e-03  3.6661000000e-03  3.1044000000e-03
-
-JOB 25
-COORDS  6.7292300000e-01  1.1394560000e+00 -4.8039000000e-01  1.1723950000e+00  1.4548490000e+00  2.7279500000e-01  1.3380090000e+00  8.9092300000e-01 -1.1223600000e+00 -7.1014200000e-01 -1.1981190000e+00  5.0687400000e-01 -1.5940950000e+00 -8.3937900000e-01  4.2835400000e-01 -1.5798000000e-01 -5.8376700000e-01  2.3222000000e-02
-ENERGY -1.526609808854e+02
-FORCES  4.0534000000e-03  2.2687000000e-03  2.1074000000e-03 -2.0971000000e-03 -1.8153000000e-03 -4.5144000000e-03 -3.9841000000e-03 -4.2050000000e-04  4.2822000000e-03  2.0027000000e-03  1.0910400000e-02 -4.8184000000e-03  2.2325000000e-03 -1.5441000000e-03  6.5430000000e-04 -2.2075000000e-03 -9.3992000000e-03  2.2889000000e-03
-
-JOB 26
-COORDS -1.8089700000e-01 -3.8269200000e-01  1.4262900000e+00 -1.8369800000e-01 -1.7103100000e-01  4.9279000000e-01  4.9772100000e-01  1.8075800000e-01  1.7980900000e+00  1.4051700000e-01  3.6157500000e-01 -1.3361260000e+00 -4.7889500000e-01  5.4790800000e-01 -2.0417040000e+00  7.7978000000e-01 -2.3291900000e-01 -1.7287480000e+00
-ENERGY -1.526617982574e+02
-FORCES  2.1633000000e-03  5.4770000000e-03 -9.2991000000e-03 -1.4840000000e-04 -3.8807000000e-03  9.1981000000e-03 -1.6210000000e-03 -1.9820000000e-03 -9.8420000000e-04 -6.5390000000e-04 -1.4023000000e-03 -3.3224000000e-03  3.8857000000e-03 -1.3572000000e-03  2.5155000000e-03 -3.6257000000e-03  3.1452000000e-03  1.8922000000e-03
-
-JOB 27
-COORDS -2.0773900000e-01 -2.4922600000e-01 -1.3562630000e+00 -7.9119000000e-02  4.3752600000e-01 -2.0105270000e+00 -1.1060330000e+00 -5.4876900000e-01 -1.4961690000e+00  2.1382600000e-01  1.8608100000e-01  1.4454490000e+00  8.8640200000e-01  8.2352600000e-01  1.6853170000e+00  1.8185300000e-01  2.1922100000e-01  4.8935700000e-01
-ENERGY -1.526612201665e+02
-FORCES -4.1211000000e-03 -1.4220000000e-04 -2.2361000000e-03 -7.7880000000e-04 -3.0332000000e-03  3.8659000000e-03  4.6751000000e-03  2.1505000000e-03 -3.3320000000e-04  7.2980000000e-04 -4.1090000000e-04 -9.7932000000e-03 -2.0849000000e-03 -1.6721000000e-03 -2.1340000000e-03  1.5799000000e-03  3.1079000000e-03  1.0630600000e-02
-
-JOB 28
-COORDS -1.6713600000e-01 -1.0130080000e+00 -9.3509400000e-01 -1.0102990000e+00 -1.4605350000e+00 -1.0060020000e+00  4.8171100000e-01 -1.6941500000e+00 -1.1119410000e+00  2.3565500000e-01  1.0867440000e+00  9.7931200000e-01 -4.9214300000e-01  1.7045560000e+00  9.0966200000e-01 -7.7997000000e-02  2.9596600000e-01  5.4053700000e-01
-ENERGY -1.526601204534e+02
-FORCES  2.0273000000e-03 -3.4737000000e-03 -1.4658000000e-03  4.2161000000e-03  2.8191000000e-03  1.2313000000e-03 -4.2169000000e-03  2.5217000000e-03  2.7260000000e-04 -3.1157000000e-03 -5.8875000000e-03 -7.7170000000e-03  1.7229000000e-03 -2.5353000000e-03 -2.2400000000e-05 -6.3360000000e-04  6.5556000000e-03  7.7012000000e-03
-
-JOB 29
-COORDS -1.0036240000e+00 -6.4482200000e-01 -8.9587500000e-01 -1.7727030000e+00 -7.6382000000e-02 -9.3618400000e-01 -3.7002500000e-01 -1.5455300000e-01 -3.7202200000e-01  9.7335100000e-01  5.7836300000e-01  8.0624000000e-01  1.0324860000e+00 -1.1612000000e-01  1.4623100000e+00  1.5206800000e+00  1.2830660000e+00  1.1527310000e+00
-ENERGY -1.526611017350e+02
-FORCES  4.2370000000e-03  7.2627000000e-03  4.2748000000e-03  2.3845000000e-03 -1.5569000000e-03  1.7730000000e-04 -6.0933000000e-03 -6.5469000000e-03 -2.8736000000e-03  1.9656000000e-03  8.0490000000e-04  1.8878000000e-03 -5.6150000000e-04  4.0597000000e-03 -3.5852000000e-03 -1.9324000000e-03 -4.0235000000e-03  1.1890000000e-04
-
-JOB 30
-COORDS  1.3097440000e+00  3.3084500000e-01  3.7946900000e-01  1.4452990000e+00  1.1290560000e+00 -1.3113500000e-01  1.6463740000e+00  5.4281400000e-01  1.2500910000e+00 -1.3933940000e+00 -4.2077900000e-01 -3.8452000000e-01 -1.0711420000e+00 -2.2894300000e-01 -1.2651930000e+00 -7.2348200000e-01 -6.4553000000e-02  1.9904900000e-01
-ENERGY -1.526587586000e+02
-FORCES  3.3102000000e-03  2.9881000000e-03  5.1370000000e-04 -2.0170000000e-03 -4.3539000000e-03  2.3897000000e-03 -2.5492000000e-03 -7.1380000000e-04 -4.4851000000e-03  1.1741400000e-02  2.1007000000e-03  7.1320000000e-04 -1.8940000000e-03  1.4680000000e-04  1.7730000000e-03 -8.5914000000e-03 -1.6810000000e-04 -9.0460000000e-04
-
-JOB 31
-COORDS  5.2668200000e-01 -1.6300500000e-01  1.3721580000e+00  1.4885300000e-01  1.3263500000e-01  5.4386200000e-01  6.4009100000e-01  6.3806500000e-01  1.8836830000e+00 -4.5371400000e-01  8.2647000000e-02 -1.3116380000e+00 -1.1956430000e+00 -4.7940200000e-01 -1.5349640000e+00 -6.3920900000e-01  9.1155900000e-01 -1.7529190000e+00
-ENERGY -1.526609160604e+02
-FORCES -2.9260000000e-03  2.8234000000e-03 -8.4643000000e-03  3.0653000000e-03  4.4420000000e-04  1.0584300000e-02 -8.0720000000e-04 -1.9019000000e-03 -2.8245000000e-03 -3.2555000000e-03 -1.0715000000e-03 -2.4163000000e-03  3.4011000000e-03  3.7111000000e-03  2.6120000000e-04  5.2230000000e-04 -4.0053000000e-03  2.8595000000e-03
-
-JOB 32
-COORDS  6.4286000000e-01 -1.2507740000e+00 -4.4431600000e-01  1.1986400000e+00 -1.7222510000e+00  1.7620800000e-01  1.6951900000e-01 -6.1509800000e-01  9.2431000000e-02 -6.4432900000e-01  1.1801480000e+00  3.9562600000e-01 -1.1775400000e-01  1.8851610000e+00  7.7233100000e-01 -1.2267490000e+00  1.6201740000e+00 -2.2356400000e-01
-ENERGY -1.526607196436e+02
-FORCES -3.5315000000e-03  6.5516000000e-03  4.5733000000e-03 -1.8824000000e-03  2.7625000000e-03 -1.3133000000e-03  4.6251000000e-03 -9.0771000000e-03 -1.5718000000e-03  8.6670000000e-04  3.2017000000e-03 -3.6157000000e-03 -2.8214000000e-03 -2.8631000000e-03 -1.6670000000e-03  2.7435000000e-03 -5.7560000000e-04  3.5946000000e-03
-
-JOB 33
-COORDS -6.1543200000e-01 -1.3432140000e+00 -2.3864800000e-01 -1.6763200000e-01 -5.0444100000e-01 -1.2834800000e-01 -4.6694100000e-01 -1.8048830000e+00  5.8660600000e-01  6.3428000000e-01  1.2877590000e+00  1.6073900000e-01  6.5093000000e-01  1.9860340000e+00  8.1523700000e-01 -2.8962900000e-01  1.2007300000e+00 -7.3887000000e-02
-ENERGY -1.526549814382e+02
-FORCES  7.2989000000e-03  2.7143000000e-03  5.3486000000e-03 -9.4241000000e-03  3.6531000000e-03 -3.4291000000e-03 -1.1483000000e-03  1.1201000000e-03 -2.9451000000e-03 -3.4678000000e-03  4.1132000000e-03  2.7563000000e-03 -2.5110000000e-04 -2.8781000000e-03 -3.6061000000e-03  6.9926000000e-03 -8.7226000000e-03  1.8754000000e-03
-
-JOB 34
-COORDS -1.1717970000e+00  2.7933500000e-01  9.0340700000e-01 -7.2901200000e-01  6.3218100000e-01  1.6752060000e+00 -4.8597300000e-01  2.2305000000e-01  2.3804300000e-01  1.0873500000e+00 -2.7294800000e-01 -8.3927100000e-01  8.4324600000e-01 -1.1099450000e+00 -1.2343400000e+00  1.5636410000e+00  1.8842500000e-01 -1.5295710000e+00
-ENERGY -1.526617352758e+02
-FORCES  9.8883000000e-03  1.9930000000e-04 -3.5724000000e-03 -1.5523000000e-03 -7.6740000000e-04 -2.1008000000e-03 -8.5423000000e-03  8.9200000000e-05  4.9738000000e-03  1.1775000000e-03 -1.4905000000e-03 -3.8193000000e-03  9.9880000000e-04  5.0907000000e-03  1.5561000000e-03 -1.9700000000e-03 -3.1213000000e-03  2.9626000000e-03
-
-JOB 35
-COORDS -1.2680750000e+00  2.8934200000e-01 -6.6145400000e-01 -7.0417000000e-01  8.2330500000e-01 -1.2210310000e+00 -1.3695550000e+00 -5.3405000000e-01 -1.1389050000e+00  1.2630090000e+00 -2.8955700000e-01  7.7853600000e-01  1.8299870000e+00 -2.4055000000e-02  5.4467000000e-02  3.8074000000e-01 -2.8301500000e-01  4.0733500000e-01
-ENERGY -1.526582380983e+02
-FORCES -1.1295000000e-03  1.1723000000e-03 -5.9091000000e-03 -8.4880000000e-04 -4.4501000000e-03  4.0565000000e-03  2.8060000000e-03  4.2084000000e-03  3.7926000000e-03 -7.5828000000e-03  2.5437000000e-03 -5.2580000000e-03 -2.7315000000e-03 -4.9750000000e-04  1.6118000000e-03  9.4866000000e-03 -2.9767000000e-03  1.7061000000e-03
-
-JOB 36
-COORDS  4.7200400000e-01  1.4076370000e+00  7.4566000000e-02 -1.3046500000e-01  2.1453550000e+00 -2.0482000000e-02 -5.1257000000e-02  6.3945100000e-01 -1.5417000000e-01 -3.4905200000e-01 -1.3738620000e+00 -8.1317000000e-02 -1.1979880000e+00 -1.5034420000e+00 -5.0410300000e-01 -4.4210800000e-01 -1.7890370000e+00  7.7612200000e-01
-ENERGY -1.526595149598e+02
-FORCES -3.6838000000e-03 -7.1054000000e-03 -1.1274000000e-03  1.0636000000e-03 -3.8289000000e-03  1.3730000000e-04  3.2520000000e-04  1.0741100000e-02 -6.9530000000e-04 -1.3753000000e-03 -4.0549000000e-03  3.9977000000e-03  4.2002000000e-03  3.0499000000e-03  2.4805000000e-03 -5.2980000000e-04  1.1982000000e-03 -4.7928000000e-03
-
-JOB 37
-COORDS -2.8305600000e-01  1.7415100000e-01  1.4977910000e+00 -8.1031000000e-01  7.5596900000e-01  9.5032100000e-01  2.5880900000e-01 -3.1340400000e-01  8.7738600000e-01  3.4208600000e-01 -1.9721300000e-01 -1.3905140000e+00 -3.5459500000e-01  4.1182700000e-01 -1.1456920000e+00  9.0013000000e-02 -5.1408100000e-01 -2.2578580000e+00
-ENERGY -1.526548575286e+02
-FORCES  2.0946000000e-03 -1.5602000000e-03 -7.0971000000e-03  1.6976000000e-03 -1.9154000000e-03 -1.0963000000e-03 -3.4390000000e-03  3.3923000000e-03  5.1858000000e-03 -3.7087000000e-03  6.1030000000e-04 -3.7643000000e-03  2.7089000000e-03 -2.7152000000e-03  2.7747000000e-03  6.4660000000e-04  2.1882000000e-03  3.9972000000e-03
-
-JOB 38
-COORDS -1.2131430000e+00 -7.5513500000e-01  3.0979600000e-01 -1.4331320000e+00 -1.4944720000e+00 -2.5696400000e-01 -5.5161800000e-01 -1.1007020000e+00  9.0912900000e-01  1.2524400000e+00  7.9834600000e-01 -3.3632900000e-01  1.0511570000e+00  1.4031990000e+00  3.7772200000e-01  4.0545400000e-01  4.2554100000e-01 -5.8100000000e-01
-ENERGY -1.526600190015e+02
-FORCES  1.5325000000e-03 -5.6085000000e-03  2.4277000000e-03  2.0458000000e-03  3.9373000000e-03  2.1927000000e-03 -3.6397000000e-03  2.2726000000e-03 -3.4670000000e-03 -9.5105000000e-03 -2.3000000000e-04  1.8894000000e-03  1.6574000000e-03 -2.4433000000e-03 -1.6888000000e-03  7.9145000000e-03  2.0720000000e-03 -1.3540000000e-03
-
-JOB 39
-COORDS  2.7491000000e-02  1.4180330000e+00  1.0685900000e-01  2.7640700000e-01  1.8424790000e+00 -7.1418700000e-01  3.0588000000e-02  2.1244480000e+00  7.5276900000e-01 -5.6597000000e-02 -1.5211930000e+00 -4.1670000000e-02  1.1830100000e-01 -5.8012900000e-01 -4.8118000000e-02  1.6397000000e-02 -1.7851460000e+00 -9.5885700000e-01
-ENERGY -1.526601997588e+02
-FORCES  6.4900000000e-05  4.0425000000e-03  1.7206000000e-03 -9.8860000000e-04 -2.6791000000e-03  3.8703000000e-03  7.1800000000e-05 -1.7899000000e-03 -4.2034000000e-03  2.5560000000e-04  8.2346000000e-03 -1.2464000000e-03  6.4510000000e-04 -9.5681000000e-03 -2.7897000000e-03 -4.8800000000e-05  1.7600000000e-03  2.6487000000e-03
-
-JOB 40
-COORDS -3.7510800000e-01 -3.8928500000e-01  1.4463020000e+00  3.0046600000e-01  2.7906800000e-01  1.3316910000e+00 -8.5292100000e-01 -3.9224300000e-01  6.1689400000e-01  3.0788000000e-01  3.6445900000e-01 -1.3730180000e+00  6.3450200000e-01 -5.0066600000e-01 -1.6202200000e+00  1.0218410000e+00  9.6260500000e-01 -1.5937290000e+00
-ENERGY -1.526579654976e+02
-FORCES  2.0046000000e-03  5.5085000000e-03 -9.5623000000e-03 -6.3220000000e-04 -1.8319000000e-03  3.6885000000e-03 -1.0147000000e-03 -3.3887000000e-03  4.4670000000e-03  4.4252000000e-03 -1.5230000000e-03 -1.7081000000e-03 -2.0416000000e-03  4.2048000000e-03  1.3162000000e-03 -2.7413000000e-03 -2.9695000000e-03  1.7987000000e-03
-
-JOB 41
-COORDS  2.2434000000e-01 -3.2552100000e-01  1.4315210000e+00 -2.3648400000e-01  4.7203100000e-01  1.6918720000e+00 -4.2337600000e-01 -1.0223120000e+00  1.5372570000e+00 -2.1431200000e-01  3.2022900000e-01 -1.4621860000e+00  4.4702000000e-01  5.4367500000e-01 -2.1171240000e+00  2.8878300000e-01  1.0568500000e-01 -6.7663000000e-01
-ENERGY -1.526614496038e+02
-FORCES -6.2960000000e-03 -1.6470000000e-04  3.3712000000e-03  2.6164000000e-03 -4.0002000000e-03 -1.7169000000e-03  3.1770000000e-03  3.5371000000e-03 -2.0570000000e-04  4.5780000000e-03 -1.7127000000e-03  4.9497000000e-03 -1.7271000000e-03 -8.7680000000e-04  3.2104000000e-03 -2.3483000000e-03  3.2174000000e-03 -9.6085000000e-03
-
-JOB 42
-COORDS  1.3658900000e-01  9.5967800000e-01 -1.2013810000e+00 -2.8940000000e-02  3.8636700000e-01 -4.5295200000e-01  1.0089400000e-01  1.8446310000e+00 -8.3831500000e-01 -1.1510000000e-01 -9.2005700000e-01  1.0903490000e+00 -6.0142200000e-01 -9.9890000000e-01  1.9110230000e+00  2.4475900000e-01 -1.7941510000e+00  9.3971000000e-01
-ENERGY -1.526615297109e+02
-FORCES -1.0562000000e-03 -2.6077000000e-03  8.4002000000e-03  1.2369000000e-03  5.4994000000e-03 -8.0484000000e-03 -1.5390000000e-04 -2.6178000000e-03 -9.6450000000e-04 -5.3790000000e-04 -3.4933000000e-03  2.2696000000e-03  2.7583000000e-03 -6.4010000000e-04 -3.3024000000e-03 -2.2472000000e-03  3.8595000000e-03  1.6455000000e-03
-
-JOB 43
-COORDS  3.0015000000e-01  1.9641200000e-01  1.5258150000e+00  1.2194240000e+00  6.9748000000e-02  1.2910290000e+00 -1.5512700000e-01  2.6180300000e-01  6.8636300000e-01 -3.6081700000e-01 -1.9106900000e-01 -1.4105530000e+00  2.9047600000e-01 -8.3848200000e-01 -1.6805620000e+00 -3.9349100000e-01  4.3320000000e-01 -2.1354330000e+00
-ENERGY -1.526601267762e+02
-FORCES  1.2810000000e-04 -5.4250000000e-04 -9.4008000000e-03 -2.2294000000e-03 -9.3400000000e-05  1.2401000000e-03  1.7500000000e-03  1.1279000000e-03  8.6798000000e-03  2.1479000000e-03 -1.0122000000e-03 -4.9372000000e-03 -2.5033000000e-03  3.8214000000e-03  1.1706000000e-03  7.0680000000e-04 -3.3012000000e-03  3.2476000000e-03
-
-JOB 44
-COORDS  5.2354600000e-01 -1.6529000000e-02  1.3881550000e+00  3.9055000000e-02 -7.7588200000e-01  1.7120130000e+00  2.5913300000e-01  7.0050100000e-01  1.9645100000e+00 -4.7203600000e-01 -4.4059000000e-02 -1.4600830000e+00 -5.3847400000e-01  3.1474400000e-01 -5.7516600000e-01 -5.2144900000e-01  7.2078300000e-01 -2.0335000000e+00
-ENERGY -1.526577680662e+02
-FORCES  9.8500000000e-05 -2.9315000000e-03  5.5586000000e-03  1.6413000000e-03  4.7161000000e-03 -1.8273000000e-03  2.3890000000e-04 -3.0142000000e-03 -4.5398000000e-03  2.7752000000e-03  3.5583000000e-03  5.4507000000e-03 -5.0706000000e-03 -2.4200000000e-05 -7.4589000000e-03  3.1680000000e-04 -2.3044000000e-03  2.8165000000e-03
-
-JOB 45
-COORDS -8.8180500000e-01 -2.1721800000e-01 -1.2846120000e+00 -6.1749000000e-01 -6.4511900000e-01 -4.7019800000e-01 -1.0787550000e+00  6.8401800000e-01 -1.0292380000e+00  8.5272700000e-01  2.4370000000e-01  1.2012040000e+00  1.4633460000e+00 -3.6959300000e-01  7.9224500000e-01  7.0229500000e-01 -1.1478300000e-01  2.0759000000e+00
-ENERGY -1.526577967925e+02
-FORCES  2.5219000000e-03  4.6638000000e-03  8.7757000000e-03 -1.2899000000e-03 -2.9557000000e-03 -5.0635000000e-03 -1.0329000000e-03 -2.7309000000e-03 -3.0067000000e-03  4.7168000000e-03 -1.9302000000e-03  2.1306000000e-03 -4.8077000000e-03  1.8778000000e-03  2.1106000000e-03 -1.0820000000e-04  1.0753000000e-03 -4.9466000000e-03
-
-JOB 46
-COORDS -3.8729700000e-01 -1.2604700000e+00  8.6188800000e-01 -8.2305400000e-01 -5.1486700000e-01  4.4906200000e-01  3.3926200000e-01 -8.7348800000e-01  1.3503440000e+00  4.2762300000e-01  1.1953320000e+00 -8.1589800000e-01 -4.6365200000e-01  1.5196980000e+00 -6.8687600000e-01  4.5185800000e-01  9.1801200000e-01 -1.7317240000e+00
-ENERGY -1.526548521312e+02
-FORCES  5.1956000000e-03  8.4559000000e-03 -2.7846000000e-03 -3.2102000000e-03 -2.2630000000e-03  1.7191000000e-03 -3.0772000000e-03 -3.0819000000e-03  4.0380000000e-04 -1.7004000000e-03 -3.9590000000e-04 -4.9586000000e-03  3.3509000000e-03 -4.5836000000e-03  1.4042000000e-03 -5.5860000000e-04  1.8686000000e-03  4.2161000000e-03
-
-JOB 47
-COORDS -9.9676000000e-01  1.1046380000e+00 -8.3798000000e-02 -3.7638500000e-01  1.8185380000e+00 -2.3115400000e-01 -1.5626200000e+00  1.4200430000e+00  6.2086900000e-01  9.5486700000e-01 -1.1947960000e+00  2.2469000000e-02  7.4833000000e-01 -2.7503700000e-01  1.8865100000e-01  1.7714270000e+00 -1.3471320000e+00  4.9813200000e-01
-ENERGY -1.526566640697e+02
-FORCES -3.9188000000e-03  4.5299000000e-03  1.5368000000e-03 -8.7490000000e-04 -5.8324000000e-03  2.0914000000e-03  2.9222000000e-03 -9.6360000000e-04 -3.5392000000e-03 -2.1460000000e-03  4.8380000000e-03  1.7975000000e-03  7.5893000000e-03 -4.1711000000e-03 -3.5560000000e-04 -3.5719000000e-03  1.5992000000e-03 -1.5309000000e-03
-
-JOB 48
-COORDS -4.6916200000e-01  5.4027800000e-01  1.4296580000e+00 -1.3164990000e+00  2.5016800000e-01  1.0918870000e+00  1.6543200000e-01  2.3154400000e-01  7.8297000000e-01  4.2802600000e-01 -5.1178400000e-01 -1.3390070000e+00  1.0252400000e+00 -1.2209600000e+00 -1.5769930000e+00  8.3153400000e-01  2.7497600000e-01 -1.7056420000e+00
-ENERGY -1.526601008528e+02
-FORCES -3.4970000000e-04 -5.0922000000e-03 -8.3516000000e-03  1.6334000000e-03  1.7057000000e-03  2.6243000000e-03 -5.2960000000e-04  4.3021000000e-03  6.6994000000e-03  3.4177000000e-03 -6.4320000000e-04 -5.1693000000e-03 -2.6003000000e-03  3.8029000000e-03  1.1556000000e-03 -1.5715000000e-03 -4.0753000000e-03  3.0416000000e-03
-
-JOB 49
-COORDS -1.4360100000e+00  5.6114800000e-01  1.1788500000e-01 -9.2224800000e-01  1.2551000000e-02 -4.7483900000e-01 -2.3444570000e+00  4.1285300000e-01 -1.4472500000e-01  1.4401290000e+00 -4.7873800000e-01 -1.2019000000e-01  9.8515700000e-01 -1.2291570000e+00  2.6204700000e-01  2.2434060000e+00 -3.9771900000e-01  3.9402200000e-01
-ENERGY -1.526557268260e+02
-FORCES  1.3175000000e-03 -1.2138000000e-03 -4.3408000000e-03 -5.6800000000e-03 -5.7480000000e-04  3.1291000000e-03  4.2333000000e-03  1.7410000000e-04  1.0969000000e-03  2.4556000000e-03 -6.8970000000e-04  5.9635000000e-03  5.6910000000e-04  3.4563000000e-03 -3.7423000000e-03 -2.8954000000e-03 -1.1521000000e-03 -2.1063000000e-03
-
-JOB 50
-COORDS  8.2296400000e-01 -1.2193760000e+00 -5.9470400000e-01  5.4199400000e-01 -4.5573300000e-01 -9.0583000000e-02  1.5508890000e+00 -9.0024200000e-01 -1.1280980000e+00 -8.6490700000e-01  1.1011020000e+00  6.2340300000e-01 -3.1540800000e-01  1.7996190000e+00  9.7886900000e-01 -1.1505280000e+00  1.4305610000e+00 -2.2871800000e-01
-ENERGY -1.526594825444e+02
-FORCES -1.3830000000e-03  5.9925000000e-03  2.7200000000e-03  6.4489000000e-03 -6.0065000000e-03 -5.0680000000e-03 -3.0005000000e-03 -2.7040000000e-04  1.9639000000e-03 -3.2882000000e-03  6.2081000000e-03 -1.2532000000e-03 -1.5090000000e-03 -4.4095000000e-03 -2.7137000000e-03  2.7318000000e-03 -1.5142000000e-03  4.3509000000e-03
-
-JOB 51
-COORDS -5.0045000000e-02  1.3976820000e+00 -8.0034100000e-01  3.8483100000e-01  7.6778900000e-01 -2.2558000000e-01 -2.8737000000e-01  2.1242690000e+00 -2.2416500000e-01  8.6127000000e-02 -1.3562560000e+00  7.3051000000e-01 -5.6603100000e-01 -1.4849340000e+00  1.4192510000e+00 -1.0475500000e-01 -2.0400630000e+00  8.8480000000e-02
-ENERGY -1.526593273640e+02
-FORCES  9.3170000000e-04 -3.4409000000e-03  6.0439000000e-03 -2.2430000000e-04  7.5177000000e-03 -4.3918000000e-03  5.5880000000e-04 -2.6621000000e-03 -1.7313000000e-03 -5.0367000000e-03 -4.1302000000e-03 -6.2000000000e-04  2.8910000000e-03  2.7690000000e-04 -2.8211000000e-03  8.7950000000e-04  2.4385000000e-03  3.5204000000e-03
-
-JOB 52
-COORDS -4.3294900000e-01 -3.6581300000e-01 -1.4428110000e+00 -8.2778100000e-01  3.0874500000e-01 -1.9953610000e+00  1.6608700000e-01 -8.3284400000e-01 -2.0252800000e+00  4.3851900000e-01  3.1846800000e-01  1.5643870000e+00  1.8227000000e-01  1.2395360000e+00  1.5174500000e+00  4.0976900000e-01  1.4832000000e-02  6.5707700000e-01
-ENERGY -1.526597498165e+02
-FORCES -1.0387000000e-03  4.9430000000e-04 -6.5175000000e-03  2.1268000000e-03 -3.1519000000e-03  2.2185000000e-03 -2.6319000000e-03  2.6186000000e-03  2.9937000000e-03 -3.0201000000e-03  1.1920000000e-03 -7.3789000000e-03  9.2880000000e-04 -2.6010000000e-03  6.4290000000e-04  3.6351000000e-03  1.4479000000e-03  8.0413000000e-03
-
-JOB 53
-COORDS -1.4374240000e+00 -1.8665400000e-01 -8.3368600000e-01 -8.0633400000e-01  3.2097000000e-01 -3.2351400000e-01 -1.1900060000e+00 -3.0769000000e-02 -1.7451220000e+00  1.3956210000e+00  1.1351500000e-01  7.9622300000e-01  8.9557700000e-01 -2.3959800000e-01  1.5320900000e+00  1.6933150000e+00  9.7168300000e-01  1.0981450000e+00
-ENERGY -1.526579352531e+02
-FORCES  7.1982000000e-03  2.1823000000e-03 -1.2515000000e-03 -7.1674000000e-03 -8.6730000000e-04 -1.5098000000e-03 -1.6319000000e-03 -3.2720000000e-04  2.9085000000e-03  2.5189000000e-03 -2.9810000000e-04  6.0935000000e-03  1.5616000000e-03  3.0817000000e-03 -4.1998000000e-03 -2.4793000000e-03 -3.7715000000e-03 -2.0410000000e-03
-
-JOB 54
-COORDS -8.4843500000e-01 -1.4842080000e+00  1.2859000000e-01 -5.9182300000e-01 -8.1731500000e-01  7.6548600000e-01 -5.4465400000e-01 -1.1424570000e+00 -7.1233500000e-01  8.5179100000e-01  1.4280100000e+00 -6.2525000000e-02  2.7851600000e-01  2.1125380000e+00 -4.0749900000e-01  7.6901300000e-01  7.0799400000e-01 -6.8779000000e-01
-ENERGY -1.526540334029e+02
-FORCES  2.2225000000e-03  4.9782000000e-03  8.1940000000e-04 -1.9393000000e-03 -4.6755000000e-03 -3.5018000000e-03  4.9640000000e-04  3.5270000000e-04  2.5721000000e-03 -1.3433000000e-03  1.9893000000e-03 -4.9461000000e-03  2.5628000000e-03 -3.6422000000e-03  1.6088000000e-03 -1.9991000000e-03  9.9750000000e-04  3.4477000000e-03
-
-JOB 55
-COORDS -6.8351000000e-02 -1.6850760000e+00  2.7088200000e-01 -9.7709900000e-01 -1.4099670000e+00  1.4953800000e-01  3.8157400000e-01 -8.9819500000e-01  5.7848500000e-01  8.3000000000e-02  1.6406560000e+00 -2.1706100000e-01 -4.6913100000e-01  1.8544180000e+00 -9.6918400000e-01  8.5733100000e-01  1.2263370000e+00 -5.9782700000e-01
-ENERGY -1.526568550579e+02
-FORCES -3.3971000000e-03  6.8672000000e-03  1.8959000000e-03  2.8359000000e-03 -2.7071000000e-03 -2.5630000000e-04  1.3070000000e-03 -4.6202000000e-03 -2.1289000000e-03  7.8680000000e-04  8.2450000000e-04 -6.5076000000e-03  2.2433000000e-03 -9.0750000000e-04  3.4642000000e-03 -3.7760000000e-03  5.4310000000e-04  3.5327000000e-03
-
-JOB 56
-COORDS -3.5052100000e-01 -1.5696000000e+00  4.7833000000e-01 -2.2293000000e-01 -9.3907900000e-01  1.1871290000e+00  4.3296700000e-01 -2.1189830000e+00  5.0191300000e-01  3.4302000000e-01  1.5998630000e+00 -4.8534800000e-01 -5.6203000000e-02  7.5182000000e-01 -2.9124500000e-01 -4.8926000000e-02  1.8647950000e+00 -1.3174660000e+00
-ENERGY -1.526579256515e+02
-FORCES  4.6223000000e-03 -3.3715000000e-03  4.5464000000e-03 -7.8450000000e-04 -8.2630000000e-04 -6.2667000000e-03 -3.9053000000e-03  2.2070000000e-03  2.5410000000e-04 -3.6622000000e-03 -4.1754000000e-03 -3.8530000000e-03  2.0787000000e-03  6.8554000000e-03  2.2596000000e-03  1.6509000000e-03 -6.8930000000e-04  3.0595000000e-03
-
-JOB 57
-COORDS  3.2031300000e-01 -1.4769640000e+00  8.6156500000e-01  4.3747000000e-01 -1.0858460000e+00  1.7273200000e+00  8.6600900000e-01 -9.4522900000e-01  2.8216400000e-01 -3.0027000000e-01  1.3982730000e+00 -8.6475300000e-01 -5.0565600000e-01  2.1374130000e+00 -1.4372220000e+00 -1.1525460000e+00  1.0860820000e+00 -5.6079000000e-01
-ENERGY -1.526579776255e+02
-FORCES  3.8076000000e-03  4.7941000000e-03  1.1920000000e-04 -9.4250000000e-04 -1.7727000000e-03 -3.0597000000e-03 -1.7609000000e-03 -4.4633000000e-03  3.6112000000e-03 -5.2056000000e-03  1.7462000000e-03 -1.4889000000e-03  4.5190000000e-04 -3.1031000000e-03  2.5201000000e-03  3.6495000000e-03  2.7987000000e-03 -1.7019000000e-03
-
-JOB 58
-COORDS -1.8704900000e-01  1.7309260000e+00 -3.0931000000e-02 -4.8217300000e-01  1.0637080000e+00 -6.5057200000e-01 -9.9258300000e-01  2.1490870000e+00  2.7318700000e-01  2.5965100000e-01 -1.6724780000e+00 -4.2250000000e-03 -4.6960200000e-01 -2.2258430000e+00  2.7543300000e-01  9.4764900000e-01 -1.8383120000e+00  6.4028300000e-01
-ENERGY -1.526559332913e+02
-FORCES -3.6798000000e-03 -3.5891000000e-03 -1.6025000000e-03 -2.4320000000e-04  5.7784000000e-03  1.5138000000e-03  2.9743000000e-03 -1.7788000000e-03 -9.5870000000e-04  1.3073000000e-03 -2.5064000000e-03  5.2062000000e-03  2.6467000000e-03  2.6640000000e-03 -1.3776000000e-03 -3.0053000000e-03 -5.6820000000e-04 -2.7813000000e-03
-
-JOB 59
-COORDS  1.6584170000e+00  6.0479400000e-01 -1.9958100000e-01  8.6847600000e-01  3.9098300000e-01 -6.9607900000e-01  2.3792300000e+00  3.1719500000e-01 -7.5989100000e-01 -1.6310650000e+00 -5.5746100000e-01  3.2084200000e-01 -2.3539010000e+00 -1.1467410000e+00  1.0523100000e-01 -1.2946460000e+00 -2.6977300000e-01 -5.2785700000e-01
-ENERGY -1.526509380877e+02
-FORCES -1.5920000000e-04 -2.7409000000e-03 -3.5041000000e-03  1.1378000000e-03  1.0645000000e-03  5.2060000000e-04 -3.1414000000e-03  1.2935000000e-03  2.5337000000e-03 -2.8933000000e-03 -1.7568000000e-03 -4.0024000000e-03  3.2552000000e-03  2.6486000000e-03  1.2670000000e-03  1.8008000000e-03 -5.0880000000e-04  3.1852000000e-03
-
-JOB 60
-COORDS  9.4476500000e-01 -1.4936110000e+00  4.9531000000e-01  3.5167100000e-01 -1.0812290000e+00 -1.3271300000e-01  5.5068200000e-01 -1.3166100000e+00  1.3494760000e+00 -8.5491000000e-01  1.4471750000e+00 -4.6344600000e-01 -7.1629900000e-01  2.0487290000e+00 -1.1949860000e+00 -1.7631470000e+00  1.1600130000e+00 -5.5765700000e-01
-ENERGY -1.526569334761e+02
-FORCES -4.2780000000e-03  5.4155000000e-03  5.5090000000e-04  2.4168000000e-03 -5.2412000000e-03  2.1318000000e-03  1.4809000000e-03 -1.8140000000e-03 -2.6735000000e-03 -3.1626000000e-03  4.2224000000e-03 -3.7444000000e-03 -1.0972000000e-03 -2.7054000000e-03  3.1860000000e-03  4.6400000000e-03  1.2260000000e-04  5.4920000000e-04
-
-JOB 61
-COORDS  1.3529870000e+00  1.0063070000e+00 -6.4025200000e-01  1.3146560000e+00  9.4400000000e-02 -3.5182800000e-01  2.1993950000e+00  1.0833680000e+00 -1.0805770000e+00 -1.3497000000e+00 -9.7154800000e-01  6.0117500000e-01 -1.3700280000e+00 -1.2472390000e+00  1.5175880000e+00 -2.1531050000e+00 -4.6425700000e-01  4.8529800000e-01
-ENERGY -1.526562120859e+02
-FORCES  1.7018000000e-03 -4.5248000000e-03 -1.7030000000e-04  3.2193000000e-03  4.6323000000e-03 -1.6960000000e-03 -3.4054000000e-03 -3.8320000000e-04  1.7894000000e-03 -4.7165000000e-03  2.1634000000e-03  2.9813000000e-03  4.7460000000e-04  9.9990000000e-04 -3.8815000000e-03  2.7262000000e-03 -2.8876000000e-03  9.7700000000e-04
-
-JOB 62
-COORDS  8.5688700000e-01  1.0459760000e+00  1.2548580000e+00  4.1330800000e-01  1.8230620000e+00  9.1484900000e-01  7.1862400000e-01  1.0855030000e+00  2.2011940000e+00 -8.1605000000e-01 -1.1019890000e+00 -1.3502460000e+00 -2.8718800000e-01 -1.3439970000e+00 -5.9000300000e-01 -1.5472330000e+00 -6.0369300000e-01 -9.8513700000e-01
-ENERGY -1.526559243208e+02
-FORCES -1.2044000000e-03  4.9130000000e-03  2.4603000000e-03  1.4095000000e-03 -3.5175000000e-03  1.9295000000e-03  2.3850000000e-04 -5.2110000000e-04 -4.2513000000e-03  6.6490000000e-04  1.7887000000e-03  5.8899000000e-03 -3.1891000000e-03 -9.3340000000e-04 -4.0739000000e-03  2.0805000000e-03 -1.7297000000e-03 -1.9544000000e-03
-
-JOB 63
-COORDS -1.9079000000e-01  1.1917770000e+00 -1.4539650000e+00 -3.2856000000e-01  5.4301500000e-01 -2.1441530000e+00 -9.9983600000e-01  1.1737950000e+00 -9.4273700000e-01  2.4513700000e-01 -1.1239870000e+00  1.5248750000e+00 -6.9955000000e-02 -1.9953120000e+00  1.2845820000e+00  5.7048900000e-01 -7.5193800000e-01  7.0514400000e-01
-ENERGY -1.526564881355e+02
-FORCES -5.3201000000e-03 -3.6040000000e-04 -1.9645000000e-03  1.0332000000e-03  2.0920000000e-03  3.7286000000e-03  4.1293000000e-03 -5.2070000000e-04 -2.6722000000e-03  1.3423000000e-03 -1.3227000000e-03 -4.4802000000e-03  9.1370000000e-04  3.6348000000e-03  6.7040000000e-04 -2.0985000000e-03 -3.5230000000e-03  4.7180000000e-03
-
-JOB 64
-COORDS -3.1554400000e-01 -1.0584140000e+00  1.5899620000e+00  4.3221000000e-01 -1.6361800000e+00  1.4373740000e+00 -3.1221100000e-01 -4.5934300000e-01  8.4341400000e-01  2.8557700000e-01  1.0021460000e+00 -1.5111100000e+00  9.1325000000e-02  1.8433020000e+00 -1.0976440000e+00  2.7706700000e-01  1.1885640000e+00 -2.4499430000e+00
-ENERGY -1.526576076731e+02
-FORCES  3.3547000000e-03  2.9930000000e-04 -5.4651000000e-03 -2.8127000000e-03  1.7064000000e-03  1.2703000000e-03 -8.4990000000e-04 -2.3110000000e-03  5.9297000000e-03 -5.0790000000e-04  4.7846000000e-03 -4.4229000000e-03  5.9340000000e-04 -4.3132000000e-03 -1.3032000000e-03  2.2240000000e-04 -1.6610000000e-04  3.9911000000e-03
-
-JOB 65
-COORDS -1.1533810000e+00  1.5330780000e+00  3.4222600000e-01 -1.6085880000e+00  9.6203900000e-01  9.6104100000e-01 -5.2653800000e-01  9.5887000000e-01 -9.7757000000e-02  1.0929310000e+00 -1.5078490000e+00 -3.3369000000e-01  1.4192960000e+00 -7.3246800000e-01  1.2292900000e-01  1.7033460000e+00 -1.6331580000e+00 -1.0602730000e+00
-ENERGY -1.526557157864e+02
-FORCES -5.6440000000e-04 -5.9312000000e-03 -1.2230000000e-04  1.9166000000e-03  2.9464000000e-03 -2.0450000000e-03 -9.6880000000e-04  4.2086000000e-03  2.9332000000e-03  5.8892000000e-03  4.9290000000e-04 -1.3065000000e-03 -3.5896000000e-03 -2.4035000000e-03 -2.8247000000e-03 -2.6830000000e-03  6.8680000000e-04  3.3654000000e-03
-
-JOB 66
-COORDS  8.5191400000e-01  4.2046700000e-01 -1.6991170000e+00  9.1014700000e-01  3.8848400000e-01 -2.6540080000e+00  1.1820710000e+00 -4.3017800000e-01 -1.4099240000e+00 -8.9519100000e-01 -3.5199400000e-01  1.8044660000e+00 -1.1312300000e-01 -8.4119100000e-01  1.5489500000e+00 -1.3434530000e+00 -1.6788700000e-01  9.7899800000e-01
-ENERGY -1.526545533157e+02
-FORCES  2.6777000000e-03 -2.9117000000e-03 -3.9955000000e-03 -2.6700000000e-04  6.9200000000e-05  4.1848000000e-03 -2.2829000000e-03  3.3333000000e-03 -2.4380000000e-04  1.5660000000e-03  1.1080000000e-04 -5.2687000000e-03 -2.7901000000e-03  1.1246000000e-03  1.0340000000e-03  1.0962000000e-03 -1.7263000000e-03  4.2891000000e-03
-
-JOB 67
-COORDS -1.4843000000e-01  1.1616720000e+00 -1.8004190000e+00 -6.3637700000e-01  4.0925200000e-01 -1.4657500000e+00  4.4824300000e-01  7.9084700000e-01 -2.4505750000e+00  1.7221300000e-01 -1.0632620000e+00  1.7585150000e+00 -3.5443400000e-01 -6.0522500000e-01  2.4135540000e+00  2.3777800000e-01 -1.9597820000e+00  2.0874310000e+00
-ENERGY -1.526550201853e+02
-FORCES  1.0576000000e-03 -5.3468000000e-03  6.3600000000e-05  1.0992000000e-03  3.6299000000e-03 -2.7095000000e-03 -2.4291000000e-03  1.6286000000e-03  2.1015000000e-03 -1.3961000000e-03 -1.3422000000e-03  4.9271000000e-03  1.9958000000e-03 -2.2834000000e-03 -2.7913000000e-03 -3.2740000000e-04  3.7138000000e-03 -1.5914000000e-03
-
-JOB 68
-COORDS -2.2618700000e-01  8.5303300000e-01 -1.8783650000e+00 -1.5108300000e-01  8.8112200000e-01 -2.8322010000e+00 -9.9485300000e-01  1.3886980000e+00 -1.6822820000e+00  2.9154300000e-01 -8.5415200000e-01  1.8664360000e+00 -4.1007900000e-01 -5.9455100000e-01  2.4635680000e+00  6.3530300000e-01 -1.6662350000e+00  2.2387020000e+00
-ENERGY -1.526525174710e+02
-FORCES -2.8678000000e-03  2.1708000000e-03 -2.4845000000e-03 -1.7770000000e-04 -2.5050000000e-04  3.9627000000e-03  3.0083000000e-03 -2.0261000000e-03 -9.8830000000e-04 -1.3701000000e-03 -2.3740000000e-03  3.4630000000e-03  2.7717000000e-03 -8.8440000000e-04 -2.4880000000e-03 -1.3644000000e-03  3.3642000000e-03 -1.4648000000e-03
-
-JOB 69
-COORDS -4.9400800000e-01  4.5247200000e-01 -2.1724650000e+00 -7.7056100000e-01  1.3353200000e-01 -1.3133790000e+00  3.3065000000e-01 -2.4860000000e-03 -2.3432960000e+00  4.5397000000e-01 -4.6914100000e-01  2.1363070000e+00  1.1386000000e-02  1.4227100000e-01  1.5476420000e+00  1.0525150000e+00  7.8017000000e-02  2.6448280000e+00
-ENERGY -1.526540639251e+02
-FORCES  2.2530000000e-03 -4.1795000000e-03  1.9940000000e-03  1.2921000000e-03  2.4283000000e-03 -2.5431000000e-03 -3.5051000000e-03  2.2859000000e-03  6.5030000000e-04  1.0013000000e-03  5.3206000000e-03  8.7600000000e-04  1.4972000000e-03 -3.4042000000e-03  1.1481000000e-03 -2.5384000000e-03 -2.4512000000e-03 -2.1253000000e-03
-
-JOB 70
-COORDS -4.8515300000e-01  1.3381770000e+00  1.6896630000e+00 -2.0236400000e-01  1.4953850000e+00  2.5905230000e+00 -7.6153900000e-01  4.2178600000e-01  1.6813460000e+00  4.2596000000e-01 -1.3070310000e+00 -1.7640640000e+00  8.2127500000e-01 -1.5726590000e+00 -9.3376300000e-01  1.1293450000e+00 -8.5646800000e-01 -2.2314770000e+00
-ENERGY -1.526540836816e+02
-FORCES -8.2670000000e-04 -2.9694000000e-03  3.4003000000e-03 -9.6250000000e-04 -7.3530000000e-04 -3.8407000000e-03  1.7801000000e-03  3.6340000000e-03  5.3270000000e-04  4.7979000000e-03  1.6940000000e-03  1.2436000000e-03 -2.0481000000e-03  6.7450000000e-04 -2.9984000000e-03 -2.7407000000e-03 -2.2979000000e-03  1.6625000000e-03
-
-JOB 71
-COORDS -6.2492000000e-01 -1.6844980000e+00 -1.4140570000e+00 -8.1537500000e-01 -7.8292700000e-01 -1.1549660000e+00 -5.3976200000e-01 -2.1589550000e+00 -5.8709200000e-01  6.9273600000e-01  1.6405090000e+00  1.3478650000e+00 -9.1234000000e-02  1.1080210000e+00  1.2134030000e+00  3.6015300000e-01  2.5284320000e+00  1.4790670000e+00
-ENERGY -1.526531051126e+02
-FORCES  3.9740000000e-04  1.5350000000e-03  3.9793000000e-03  1.5570000000e-04 -3.6401000000e-03 -2.5630000000e-04 -7.6790000000e-04  2.3079000000e-03 -3.3271000000e-03 -4.2354000000e-03  2.2946000000e-03  6.2800000000e-04  3.0704000000e-03  1.4261000000e-03 -4.0620000000e-04  1.3799000000e-03 -3.9236000000e-03 -6.1770000000e-04
-
-JOB 72
-COORDS  1.0623100000e+00 -1.8387860000e+00 -9.4759100000e-01  1.9728760000e+00 -1.8329780000e+00 -6.5251900000e-01  5.5181000000e-01 -1.9676220000e+00 -1.4820200000e-01 -1.1312080000e+00  1.8802880000e+00  8.5251800000e-01 -5.2703500000e-01  2.1871250000e+00  1.5285780000e+00 -9.1691400000e-01  9.5399700000e-01  7.4163200000e-01
-ENERGY -1.526535695108e+02
-FORCES  2.2745000000e-03 -1.4661000000e-03  3.8092000000e-03 -4.0239000000e-03  9.8500000000e-05 -1.0600000000e-03  1.8006000000e-03  1.6912000000e-03 -3.0716000000e-03  3.5590000000e-03 -2.3827000000e-03  1.5479000000e-03 -2.4871000000e-03 -1.4014000000e-03 -2.6414000000e-03 -1.1231000000e-03  3.4606000000e-03  1.4158000000e-03
-
-JOB 73
-COORDS -2.2299000000e-01  2.0823730000e+00  1.2246580000e+00  4.8786000000e-01  1.4565980000e+00  1.0856280000e+00 -5.0895400000e-01  1.9247170000e+00  2.1244360000e+00  2.4720600000e-01 -2.0894940000e+00 -1.2578040000e+00 -6.4097800000e-01 -2.0917870000e+00 -9.0093500000e-01  3.2323600000e-01 -1.2475940000e+00 -1.7068660000e+00
-ENERGY -1.526549505242e+02
-FORCES  2.1135000000e-03 -2.9293000000e-03  3.6937000000e-03 -3.3047000000e-03  2.7053000000e-03  1.4550000000e-04  1.0515000000e-03  6.2170000000e-04 -3.7660000000e-03 -3.8609000000e-03  3.2235000000e-03 -1.0960000000e-03  3.8847000000e-03 -1.2970000000e-04 -1.2127000000e-03  1.1590000000e-04 -3.4916000000e-03  2.2355000000e-03
-
-JOB 74
-COORDS -8.6159500000e-01  3.3480500000e-01 -2.2864240000e+00 -5.0684100000e-01  1.6409700000e-01 -3.1589140000e+00 -3.3919700000e-01  1.0645290000e+00 -1.9535040000e+00  8.0692800000e-01 -4.3220900000e-01  2.3027880000e+00  1.1747200000e+00 -1.3440000000e-02  3.0809870000e+00  4.9519600000e-01  2.9475300000e-01  1.7637330000e+00
-ENERGY -1.526536410090e+02
-FORCES  3.6979000000e-03  1.8170000000e-03 -2.7132000000e-03 -1.5519000000e-03  8.6710000000e-04  3.5547000000e-03 -2.1909000000e-03 -2.8910000000e-03 -7.0960000000e-04 -2.6300000000e-04  4.4372000000e-03  8.6060000000e-04 -1.4440000000e-03 -1.7085000000e-03 -3.2621000000e-03  1.7520000000e-03 -2.5219000000e-03  2.2696000000e-03
-
-JOB 75
-COORDS -1.3515620000e+00 -1.9209260000e+00 -6.0662000000e-01 -1.5838390000e+00 -2.8492090000e+00 -6.3049800000e-01 -1.9531390000e+00 -1.5070160000e+00 -1.2255020000e+00  1.3885060000e+00  1.9379970000e+00  5.7482300000e-01  2.1788170000e+00  1.7919630000e+00  1.0947400000e+00  7.7551300000e-01  2.3533150000e+00  1.1814380000e+00
-ENERGY -1.526535262936e+02
-FORCES -3.1278000000e-03 -1.6670000000e-03 -2.9385000000e-03  1.0078000000e-03  3.7702000000e-03  2.1790000000e-04  2.1785000000e-03 -1.9140000000e-03  2.6213000000e-03  4.3850000000e-04  2.5040000000e-04  4.7270000000e-03 -3.0473000000e-03  8.6800000000e-04 -2.1096000000e-03  2.5503000000e-03 -1.3075000000e-03 -2.5180000000e-03
-
-JOB 76
-COORDS  2.1015670000e+00  3.3435400000e-01  1.3367670000e+00  1.3659650000e+00  7.3727900000e-01  8.7549300000e-01  2.4294620000e+00  1.0238270000e+00  1.9141270000e+00 -2.0420740000e+00 -4.1945100000e-01 -1.3903580000e+00 -2.0464260000e+00  4.4893000000e-01 -9.8770800000e-01 -2.6926920000e+00 -9.1695200000e-01 -8.9495700000e-01
-ENERGY -1.526537471014e+02
-FORCES -1.5571000000e-03  4.1966000000e-03  2.1800000000e-05  2.8756000000e-03 -1.1680000000e-03  2.3551000000e-03 -1.4635000000e-03 -2.8285000000e-03 -2.3430000000e-03 -3.1802000000e-03  9.5640000000e-04  3.4716000000e-03  6.7690000000e-04 -3.4086000000e-03 -1.3968000000e-03  2.6483000000e-03  2.2521000000e-03 -2.1086000000e-03
-
-JOB 77
-COORDS  6.8948400000e-01 -1.8563510000e+00 -1.7067070000e+00  5.6826400000e-01 -9.7510400000e-01 -1.3532380000e+00  8.6350600000e-01 -1.7195580000e+00 -2.6379620000e+00 -7.0427600000e-01  1.7721380000e+00  1.8092310000e+00 -4.1862300000e-01  1.2619760000e+00  1.0513600000e+00 -8.0506100000e-01  2.6632260000e+00  1.4745140000e+00
-ENERGY -1.526529340199e+02
-FORCES  4.0850000000e-04  3.7623000000e-03 -2.7459000000e-03  1.9380000000e-04 -3.0235000000e-03 -9.0910000000e-04 -7.6400000000e-04 -5.0400000000e-04  3.9935000000e-03  5.4510000000e-04  1.6857000000e-03 -4.0680000000e-03 -8.7760000000e-04  1.9187000000e-03  2.4509000000e-03  4.9420000000e-04 -3.8392000000e-03  1.2786000000e-03
-
-JOB 78
-COORDS  1.6897600000e-01 -1.3124900000e-01  2.7707180000e+00  2.1233300000e-01  1.6395900000e-01  1.8612100000e+00  3.9456200000e-01  6.4355100000e-01  3.2855270000e+00 -1.8908500000e-01  1.8208000000e-02 -2.7285740000e+00 -9.0230300000e-01  6.1900900000e-01 -2.9444230000e+00  6.0708800000e-01  5.0229100000e-01 -2.9476720000e+00
-ENERGY -1.526543792076e+02
-FORCES  1.0009000000e-03  4.0378000000e-03 -2.0365000000e-03 -3.5200000000e-05 -8.1780000000e-04  4.2873000000e-03 -9.0110000000e-04 -3.0700000000e-03 -2.0742000000e-03  1.8350000000e-04  4.1308000000e-03 -2.5633000000e-03  3.0704000000e-03 -2.3868000000e-03  1.1221000000e-03 -3.3185000000e-03 -1.8940000000e-03  1.2645000000e-03
-
-JOB 79
-COORDS  1.7967600000e-01  1.9505430000e+00  2.5463880000e+00 -7.5440200000e-01  2.0911590000e+00  2.3916090000e+00  4.4411200000e-01  2.6842870000e+00  3.1012970000e+00 -1.4886500000e-01 -2.0371770000e+00 -2.6067200000e+00 -4.3071100000e-01 -1.1255590000e+00 -2.6825320000e+00  2.3493100000e-01 -2.0977550000e+00 -1.7319270000e+00
-ENERGY -1.526544936345e+02
-FORCES -2.6580000000e-03  3.7372000000e-03  1.9677000000e-03  3.8517000000e-03 -6.7780000000e-04  4.2570000000e-04 -1.1333000000e-03 -3.0012000000e-03 -2.3051000000e-03  6.3760000000e-04  3.5707000000e-03  3.4569000000e-03  9.6950000000e-04 -3.7105000000e-03  1.6100000000e-04 -1.6675000000e-03  8.1600000000e-05 -3.7061000000e-03
-
-JOB 80
-COORDS  3.6607700000e-01  2.1528880000e+00  2.4348470000e+00  3.1236000000e-01  2.2103960000e+00  3.3888060000e+00 -2.1392600000e-01  1.4268940000e+00  2.2051500000e+00 -3.1664000000e-01 -2.1134020000e+00 -2.4080040000e+00 -1.0948600000e-01 -2.7626620000e+00 -3.0801500000e+00 -8.0132300000e-01 -1.4319900000e+00 -2.8738280000e+00
-ENERGY -1.526542764432e+02
-FORCES -2.4727000000e-03 -3.0359000000e-03  2.8073000000e-03  2.0660000000e-04 -1.5790000000e-04 -3.8341000000e-03  2.2252000000e-03  3.2240000000e-03  1.0852000000e-03 -9.2870000000e-04  1.8600000000e-04 -4.7859000000e-03 -8.9850000000e-04  2.6225000000e-03  2.7414000000e-03  1.8682000000e-03 -2.8385000000e-03  1.9862000000e-03
-
-JOB 81
-COORDS -8.1658300000e-01 -2.3401240000e+00 -2.2901490000e+00 -1.3438870000e+00 -1.5852360000e+00 -2.5515460000e+00  8.8237000000e-02 -2.0342960000e+00 -2.3534010000e+00  7.9621300000e-01  2.2528880000e+00  2.2496040000e+00  1.5189400000e+00  2.1995910000e+00  2.8749500000e+00  1.6280400000e-01  2.8386430000e+00  2.6642300000e+00
-ENERGY -1.526542952296e+02
-FORCES  1.6377000000e-03  4.6201000000e-03 -9.5350000000e-04  2.0155000000e-03 -3.1791000000e-03  8.5640000000e-04 -3.6446000000e-03 -1.4384000000e-03  2.4400000000e-05  3.1090000000e-04  2.0747000000e-03  4.4137000000e-03 -2.9186000000e-03  2.6450000000e-04 -2.5960000000e-03  2.5990000000e-03 -2.3418000000e-03 -1.7450000000e-03
-
-JOB 82
-COORDS  5.6184100000e-01  3.3017470000e+00  7.3355700000e-01  6.5364800000e-01  3.9800080000e+00  6.4405000000e-02 -3.7276200000e-01  3.2933820000e+00  9.4014500000e-01 -5.2752000000e-01 -3.2910280000e+00 -6.6925000000e-01 -5.7294800000e-01 -3.3391520000e+00 -1.6241590000e+00 -2.3784600000e-01 -4.1622620000e+00 -3.9856000000e-01
-ENERGY -1.526538776063e+02
-FORCES -3.5555000000e-03  2.4127000000e-03 -1.8887000000e-03 -3.2720000000e-04 -2.7089000000e-03  2.7080000000e-03  3.8303000000e-03  2.6100000000e-04 -8.2210000000e-04  1.2072000000e-03 -3.6434000000e-03 -2.7466000000e-03  8.9400000000e-05  1.6270000000e-04  3.8673000000e-03 -1.2442000000e-03  3.5158000000e-03 -1.1180000000e-03
-
-JOB 83
-COORDS -2.8076500000e-01 -6.6157000000e-02  3.9135280000e+00 -9.7910000000e-01  1.4140000000e-01  3.2926570000e+00  5.1607200000e-01 -7.8008000000e-02  3.3833000000e+00  2.9371200000e-01  1.1800000000e-04 -3.8798910000e+00 -3.1009700000e-01  3.0618000000e-02 -3.1377880000e+00  5.6705300000e-01  9.0897300000e-01 -4.0043880000e+00
-ENERGY -1.526538628003e+02
-FORCES  4.5960000000e-04  6.8980000000e-04 -4.5740000000e-03  2.8648000000e-03 -7.9480000000e-04  2.4295000000e-03 -3.3396000000e-03  1.2570000000e-04  2.1024000000e-03 -1.3929000000e-03  3.8532000000e-03  2.2602000000e-03  2.5318000000e-03 -1.2180000000e-04 -2.8449000000e-03 -1.1236000000e-03 -3.7521000000e-03  6.2680000000e-04
-
-JOB 84
-COORDS  2.9187000000e-01 -3.8204790000e+00 -5.6335000000e-01  7.6558000000e-01 -4.5623690000e+00 -1.8728000000e-01  7.6439300000e-01 -3.6184870000e+00 -1.3709100000e+00 -3.7928400000e-01  3.8961150000e+00  5.4833900000e-01  2.4620000000e-01  4.0850950000e+00  1.2478300000e+00 -4.0831300000e-01  2.9403790000e+00  5.0410200000e-01
-ENERGY -1.526542824638e+02
-FORCES  3.7994000000e-03 -2.4009000000e-03 -1.8574000000e-03 -1.9100000000e-03  3.0827000000e-03 -1.5129000000e-03 -1.9076000000e-03 -7.3510000000e-04  3.3681000000e-03  2.3304000000e-03 -3.2721000000e-03  2.7082000000e-03 -2.5016000000e-03 -7.0610000000e-04 -2.8534000000e-03  1.8940000000e-04  4.0316000000e-03  1.4750000000e-04
-
-JOB 85
-COORDS -1.1820570000e+00  3.2903290000e+00  1.9444070000e+00 -6.5479500000e-01  3.9971250000e+00  1.5720280000e+00 -1.3341360000e+00  2.6929570000e+00  1.2121160000e+00  1.1263610000e+00 -3.2931590000e+00 -1.8259280000e+00  1.5008540000e+00 -4.0944810000e+00 -2.1918090000e+00  1.3529370000e+00 -2.6116590000e+00 -2.4587420000e+00
-ENERGY -1.526540490156e+02
-FORCES  1.5434000000e-03  2.6370000000e-04 -4.4705000000e-03 -2.1455000000e-03 -2.8380000000e-03  1.4990000000e-03  6.0700000000e-04  2.5886000000e-03  2.9396000000e-03  2.5153000000e-03 -6.5270000000e-04 -4.0459000000e-03 -1.5342000000e-03  3.3076000000e-03  1.4691000000e-03 -9.8600000000e-04 -2.6692000000e-03  2.6088000000e-03
-
-JOB 86
-COORDS -3.6121400000e-01 -4.1252790000e+00  2.8686330000e+00 -9.0407100000e-01 -3.7822140000e+00  3.5784540000e+00 -4.0691000000e-02 -4.9656040000e+00  3.1962770000e+00  3.2907500000e-01  4.1233220000e+00 -2.9639760000e+00  1.2437300000e+00  3.8796370000e+00 -2.8216580000e+00  2.3132700000e-01  4.9622070000e+00 -2.5134780000e+00
-ENERGY -1.526540269636e+02
-FORCES -9.6100000000e-04 -2.0258000000e-03  4.1952000000e-03  2.2406000000e-03 -1.4028000000e-03 -2.8731000000e-03 -1.2886000000e-03  3.4337000000e-03 -1.3288000000e-03  3.3403000000e-03  2.3246000000e-03  2.4662000000e-03 -3.7204000000e-03  1.0599000000e-03 -6.1000000000e-04  3.8920000000e-04 -3.3896000000e-03 -1.8495000000e-03
-
-JOB 87
-COORDS  4.4705800000e+00  3.4226350000e+00 -1.5155180000e+00  5.2125550000e+00  2.9767230000e+00 -1.1070240000e+00  4.2143500000e+00  2.8495080000e+00 -2.2380850000e+00 -4.5507390000e+00 -3.4067680000e+00  1.5479250000e+00 -3.6334340000e+00 -3.5324720000e+00  1.7907890000e+00 -4.5584420000e+00 -2.5855550000e+00  1.0562120000e+00
-ENERGY -1.526540783767e+02
-FORCES  2.0547000000e-03 -4.1060000000e-03 -1.3161000000e-03 -3.0611000000e-03  1.7979000000e-03 -1.6563000000e-03  1.0044000000e-03  2.3146000000e-03  2.9762000000e-03  3.6919000000e-03  2.8743000000e-03 -9.8760000000e-04 -3.7297000000e-03  4.9180000000e-04 -1.0063000000e-03  3.9800000000e-05 -3.3727000000e-03  1.9901000000e-03
-
-JOB 88
-COORDS  6.2995690000e+00 -4.5182310000e+00  9.4973700000e-01  5.8030420000e+00 -3.7347530000e+00  7.1340000000e-01  5.7057750000e+00 -5.2447870000e+00  7.6064100000e-01 -6.2774040000e+00  4.4697960000e+00 -9.3666600000e-01 -5.3270050000e+00  4.5239370000e+00 -1.0368750000e+00 -6.5363810000e+00  5.3390670000e+00 -6.3083600000e-01
-ENERGY -1.526540788712e+02
-FORCES -4.4534000000e-03  2.1630000000e-04 -1.7351000000e-03  2.0293000000e-03 -3.1843000000e-03  9.6440000000e-04  2.4256000000e-03  2.9695000000e-03  7.7090000000e-04  2.8007000000e-03  3.7890000000e-03  8.3870000000e-04 -3.8662000000e-03 -2.3840000000e-04  4.0900000000e-04  1.0641000000e-03 -3.5522000000e-03 -1.2479000000e-03
-
-JOB 89
-COORDS -7.1625140000e+00 -5.1558330000e+00  2.1228550000e+00 -6.3932530000e+00 -5.4243280000e+00  1.6204800000e+00 -6.8040870000e+00 -4.7195390000e+00  2.8957770000e+00  7.1386640000e+00  5.2105230000e+00 -2.1207060000e+00  7.4540970000e+00  4.3410930000e+00 -1.8740760000e+00  6.3575050000e+00  5.0418770000e+00 -2.6475650000e+00
-ENERGY -1.526540585496e+02
-FORCES  4.5892000000e-03  6.7900000000e-04  1.1141000000e-03 -3.1326000000e-03  1.1002000000e-03  2.0448000000e-03 -1.4557000000e-03 -1.7785000000e-03 -3.1600000000e-03 -1.8908000000e-03 -4.2246000000e-03 -1.1549000000e-03 -1.2938000000e-03  3.5427000000e-03 -1.0008000000e-03  3.1837000000e-03  6.8120000000e-04  2.1568000000e-03
-
-JOB 0
-COORDS  3.1443000000e-02 -4.7778100000e-01  1.0840550000e+00  9.8840300000e-01 -4.9914600000e-01  1.0822700000e+00 -2.2869200000e-01 -1.3888820000e+00  1.2199140000e+00 -1.1238000000e-01  5.4715100000e-01 -1.1457750000e+00 -3.6745600000e-01  1.6823400000e-01 -3.0459100000e-01  8.2725700000e-01  7.0884000000e-01 -1.0610970000e+00
-ENERGY -1.526492054329e+02
-FORCES  2.1603000000e-03  7.8529000000e-03 -2.3433000000e-02 -4.9702000000e-03  2.6240000000e-04 -1.2925000000e-03  2.0287000000e-03  5.3970000000e-03 -2.2379000000e-03  2.6771000000e-03 -1.3044200000e-02  3.0029600000e-02 -1.1571000000e-03  8.1510000000e-04 -4.1216000000e-03 -7.3880000000e-04 -1.2832000000e-03  1.0555000000e-03
-
-JOB 1
-COORDS -7.0182600000e-01  1.3622900000e-01  1.0294650000e+00 -2.7089400000e-01  2.3452300000e-01  1.8785040000e+00 -1.5755840000e+00 -1.9279100000e-01  1.2404750000e+00  7.0105600000e-01 -1.6781200000e-01 -1.1277550000e+00  4.3771200000e-01  1.5954300000e-01 -2.6768500000e-01  1.4620560000e+00  3.6267800000e-01 -1.3637470000e+00
-ENERGY -1.526565020222e+02
-FORCES  1.4609000000e-03 -4.3159000000e-03 -8.7791000000e-03 -1.2461000000e-03 -3.0260000000e-04 -5.4567000000e-03  4.2739000000e-03  2.0327000000e-03  1.9580000000e-03 -9.2673000000e-03  1.9038000000e-03  1.1878300000e-02  7.8706000000e-03  1.4346000000e-03 -3.4739000000e-03 -3.0919000000e-03 -7.5260000000e-04  3.8733000000e-03
-
-JOB 2
-COORDS  1.9914100000e-01  9.8885800000e-01  9.3781300000e-01 -1.3297200000e-01  5.9216000000e-01  1.7431480000e+00  1.8417000000e-01  2.7845400000e-01  2.9646000000e-01 -2.0275100000e-01 -9.3462400000e-01 -8.8434500000e-01 -5.3396900000e-01 -3.5366100000e-01 -1.5691870000e+00  5.7045800000e-01 -1.3453180000e+00 -1.2712690000e+00
-ENERGY -1.526601004825e+02
-FORCES -3.2901000000e-03 -1.4833100000e-02 -9.0521000000e-03  9.5850000000e-04  5.6820000000e-04 -2.3400000000e-03  1.9184000000e-03  9.1714000000e-03  4.0204000000e-03  9.0560000000e-04  4.3016000000e-03  1.7850000000e-04  3.5640000000e-03 -2.6801000000e-03  4.8881000000e-03 -4.0565000000e-03  3.4720000000e-03  2.3052000000e-03
-
-JOB 3
-COORDS  9.7358800000e-01 -7.1696600000e-01  4.7486500000e-01  1.6834180000e+00 -3.1210000000e-01 -2.3589000000e-02  1.1021710000e+00 -1.6578370000e+00  3.5461500000e-01 -1.0389830000e+00  7.7622800000e-01 -4.9765700000e-01 -2.6871200000e-01  2.5385500000e-01 -2.7395600000e-01 -1.5422490000e+00  8.2201600000e-01  3.1527400000e-01
-ENERGY -1.526588627304e+02
-FORCES -3.0362000000e-03 -7.6700000000e-05 -3.3371000000e-03 -7.1174000000e-03 -1.8383000000e-03  1.1438000000e-03  5.2310000000e-04  5.2454000000e-03  6.5120000000e-04  1.0244300000e-02 -1.0584900000e-02  9.6311000000e-03 -1.2937000000e-03  7.2980000000e-03 -5.8744000000e-03  6.7980000000e-04 -4.3500000000e-05 -2.2146000000e-03
-
-JOB 4
-COORDS -7.1425600000e-01 -1.1194350000e+00  3.6137400000e-01 -1.3307190000e+00 -1.1679340000e+00  1.0920270000e+00 -5.2096900000e-01 -1.8622400000e-01  2.7199900000e-01  7.4743300000e-01  1.0111060000e+00 -3.6601700000e-01  5.1916700000e-01  1.1728520000e+00 -1.2814210000e+00  7.9270200000e-01  1.8824540000e+00  2.7601000000e-02
-ENERGY -1.526583826825e+02
-FORCES  6.7593000000e-03  1.0425000000e-02 -1.6926000000e-03  2.9054000000e-03  2.4964000000e-03 -2.1822000000e-03 -8.1539000000e-03 -6.5051000000e-03  1.9439000000e-03 -1.5600000000e-04 -9.1220000000e-04 -2.1942000000e-03  2.2540000000e-04 -4.2160000000e-04  5.8777000000e-03 -1.5802000000e-03 -5.0825000000e-03 -1.7527000000e-03
-
-JOB 5
-COORDS  9.1473000000e-02 -1.1685750000e+00  6.0364200000e-01 -8.3648000000e-02 -1.9593940000e+00  9.3574000000e-02  1.0329360000e+00 -1.1965920000e+00  7.7421300000e-01 -8.0716000000e-02  1.2331820000e+00 -6.1295200000e-01 -2.7591100000e-01  3.9202500000e-01 -1.9993000000e-01 -8.8128800000e-01  1.7461780000e+00 -5.0272200000e-01
-ENERGY -1.526610928145e+02
-FORCES  4.3808000000e-03  2.6625000000e-03 -3.3344000000e-03  1.2977000000e-03  4.3220000000e-03  2.3224000000e-03 -5.1838000000e-03 -1.2942000000e-03 -1.1771000000e-03 -1.0457000000e-03 -1.1915100000e-02  6.9500000000e-03 -1.2095000000e-03  9.6290000000e-03 -5.2332000000e-03  1.7606000000e-03 -3.4041000000e-03  4.7240000000e-04
-
-JOB 6
-COORDS -1.7930000000e-03  1.3056760000e+00  3.5043000000e-02 -9.2162800000e-01  1.5620280000e+00  1.0151300000e-01  4.6540200000e-01  1.9471890000e+00  5.7022700000e-01 -4.4548000000e-02 -1.3808990000e+00 -7.3696000000e-02  7.4190900000e-01 -1.9065220000e+00  7.2721000000e-02  2.7959600000e-01 -4.8524500000e-01 -1.6839300000e-01
-ENERGY -1.526598439464e+02
-FORCES -3.5066000000e-03 -4.5825000000e-03  2.8391000000e-03  5.1091000000e-03  7.9670000000e-04  1.2700000000e-04 -2.8395000000e-03 -2.6132000000e-03 -2.1902000000e-03  2.1823000000e-03  1.2371100000e-02  7.1910000000e-04 -1.5252000000e-03  3.5640000000e-03 -5.3000000000e-06  5.7990000000e-04 -9.5361000000e-03 -1.4897000000e-03
-
-JOB 7
-COORDS  5.5124300000e-01  5.1406300000e-01 -1.0831100000e+00  9.1872700000e-01  1.2436000000e+00 -5.8414800000e-01  1.2540050000e+00  2.5190700000e-01 -1.6777800000e+00 -6.3955500000e-01 -6.0866500000e-01  1.1044550000e+00 -1.2575400000e-01 -2.9623300000e-01  3.5972200000e-01 -7.8860900000e-01  1.7217700000e-01  1.6376540000e+00
-ENERGY -1.526581751102e+02
-FORCES  1.9185000000e-03 -1.1679000000e-03  1.3988000000e-03 -3.0745000000e-03 -6.0215000000e-03 -3.1460000000e-04 -3.2911000000e-03  2.6106000000e-03  3.2271000000e-03  4.8933000000e-03  5.9911000000e-03 -1.1598500000e-02 -2.2385000000e-03 -7.9800000000e-05  9.9190000000e-03  1.7923000000e-03 -1.3325000000e-03 -2.6317000000e-03
-
-JOB 8
-COORDS -6.7783400000e-01  1.0249000000e-02  1.2078000000e+00 -2.4783300000e-01 -8.4430500000e-01  1.2404850000e+00 -1.3636350000e+00 -9.1268000000e-02  5.4779700000e-01  6.9572700000e-01  9.7810000000e-02 -1.2041170000e+00  3.9653500000e-01 -2.9154000000e-02 -3.0378600000e-01  9.3871400000e-01 -7.7876200000e-01 -1.5021280000e+00
-ENERGY -1.526541224347e+02
-FORCES -3.5032000000e-03 -3.0099000000e-03 -3.5140000000e-03  1.4955000000e-03  7.2476000000e-03 -6.3648000000e-03  7.0569000000e-03  2.1940000000e-04  2.4258000000e-03 -3.1366000000e-03  2.9710000000e-04  1.0681700000e-02  5.5140000000e-04 -7.3139000000e-03 -6.9103000000e-03 -2.4640000000e-03  2.5597000000e-03  3.6817000000e-03
-
-JOB 9
-COORDS  8.0834200000e-01 -4.2706700000e-01  1.0291320000e+00  6.8960000000e-02 -9.8785700000e-01  1.2637840000e+00  5.7468600000e-01  4.3483100000e-01  1.3737600000e+00 -7.7339700000e-01  4.7372900000e-01 -1.0666110000e+00  4.4931000000e-02  1.7835300000e-01 -6.6745600000e-01 -1.1819760000e+00 -3.2650500000e-01 -1.3966420000e+00
-ENERGY -1.526586403853e+02
-FORCES -8.7156000000e-03  2.6887000000e-03  2.0035000000e-03  3.6784000000e-03  2.1042000000e-03 -2.3629000000e-03  1.7100000000e-03 -4.3610000000e-03 -3.7980000000e-03  8.4607000000e-03 -7.4402000000e-03  6.1013000000e-03 -6.3625000000e-03  4.9084000000e-03 -4.3381000000e-03  1.2291000000e-03  2.0999000000e-03  2.3942000000e-03
-
-JOB 10
-COORDS -1.4042400000e-01 -4.8397400000e-01 -1.2080280000e+00  1.6522200000e-01 -1.1056400000e-01 -2.0346940000e+00 -8.1350000000e-02 -1.4307450000e+00 -1.3359670000e+00  7.6565000000e-02  4.9689900000e-01  1.3155900000e+00 -4.4143000000e-02  2.6046500000e-01  3.9593800000e-01  8.8890300000e-01  1.0030310000e+00  1.3286310000e+00
-ENERGY -1.526602804557e+02
-FORCES  1.7616000000e-03 -4.0670000000e-04  3.9086000000e-03 -8.3940000000e-04 -2.8821000000e-03  3.8683000000e-03  5.9100000000e-05  5.0181000000e-03 -1.3814000000e-03  8.9610000000e-04 -4.0116000000e-03 -1.3725100000e-02  2.8670000000e-04  3.6321000000e-03  8.3063000000e-03 -2.1641000000e-03 -1.3497000000e-03 -9.7670000000e-04
-
-JOB 11
-COORDS -2.7715100000e-01 -1.2678570000e+00  3.0221900000e-01 -4.0995200000e-01 -1.8704030000e+00 -4.2958300000e-01  4.0321600000e-01 -1.6816470000e+00  8.3336000000e-01  1.9098200000e-01  1.3626100000e+00 -3.0644100000e-01  2.4401900000e-01  5.9684100000e-01  2.6541300000e-01  1.0808340000e+00  1.4744230000e+00 -6.4094500000e-01
-ENERGY -1.526564595283e+02
-FORCES -1.2900000000e-04  3.0360000000e-04 -6.3954000000e-03  1.1986000000e-03  9.4570000000e-04  4.6365000000e-03 -2.1042000000e-03  5.0106000000e-03 -3.3478000000e-03 -2.7010000000e-04 -1.2434500000e-02  1.9810000000e-03  4.0958000000e-03  7.6771000000e-03  1.9432000000e-03 -2.7911000000e-03 -1.5025000000e-03  1.1824000000e-03
-
-JOB 12
-COORDS -1.8880000000e-03  9.1884100000e-01 -1.0622830000e+00  1.2888900000e-01  1.9382000000e-02 -7.6211100000e-01 -7.3714300000e-01  8.6362700000e-01 -1.6726790000e+00  2.0955000000e-02 -8.6389300000e-01  1.0128940000e+00  4.9234000000e-01 -1.5510340000e+00  1.4839190000e+00 -1.2274100000e-01 -1.7986800000e-01  1.6668770000e+00
-ENERGY -1.526601089134e+02
-FORCES -1.0043000000e-03 -8.6890000000e-03  5.1964000000e-03 -2.6350000000e-04  5.4647000000e-03 -6.9455000000e-03  2.1875000000e-03 -6.1860000000e-04  2.6894000000e-03  1.5120000000e-04  5.3462000000e-03  2.1273000000e-03 -2.0220000000e-03  3.7771000000e-03 -1.9283000000e-03  9.5110000000e-04 -5.2803000000e-03 -1.1394000000e-03
-
-JOB 13
-COORDS  9.1794600000e-01  4.9738500000e-01 -9.6800700000e-01  7.0560300000e-01  5.0560000000e-02 -1.7874520000e+00  9.3302000000e-02  5.1253200000e-01 -4.8224500000e-01 -9.0009200000e-01 -4.1882900000e-01  9.6081900000e-01 -4.6057900000e-01 -4.6164900000e-01  1.8100690000e+00 -6.6452800000e-01 -1.2389490000e+00  5.2706300000e-01
-ENERGY -1.526589083915e+02
-FORCES -8.8746000000e-03 -1.3937000000e-03  5.5361000000e-03 -1.3440000000e-04 -1.7200000000e-05  4.1473000000e-03  5.8243000000e-03  2.1230000000e-04 -7.6167000000e-03  7.2714000000e-03 -3.3118000000e-03  1.3177000000e-03 -2.5465000000e-03 -5.5340000000e-04 -3.7828000000e-03 -1.5403000000e-03  5.0638000000e-03  3.9830000000e-04
-
-JOB 14
-COORDS  6.3508000000e-02 -1.1566390000e+00 -7.5077800000e-01  3.8721000000e-02 -1.7444780000e+00  4.2470000000e-03 -8.5244500000e-01 -1.0637100000e+00 -1.0127450000e+00  6.4240000000e-03  1.2470500000e+00  7.0848600000e-01 -1.2873500000e-01  5.0406500000e-01  1.2032200000e-01 -1.8116300000e-01  8.9997100000e-01  1.5805970000e+00
-ENERGY -1.526568009837e+02
-FORCES -1.3613000000e-03 -3.2579000000e-03  2.3824000000e-03 -7.7440000000e-04  4.9045000000e-03 -3.1803000000e-03  5.9648000000e-03  3.4085000000e-03  4.5283000000e-03  1.7094000000e-03 -1.2207400000e-02 -5.0547000000e-03 -5.9543000000e-03  7.2406000000e-03  4.4598000000e-03  4.1580000000e-04 -8.8200000000e-05 -3.1356000000e-03
-
-JOB 15
-COORDS -1.2905600000e+00  3.6374500000e-01 -2.3919000000e-01 -1.0886000000e+00  1.2775290000e+00 -4.4029300000e-01 -1.9000750000e+00  9.5727000000e-02 -9.2686000000e-01  1.3368510000e+00 -4.6434000000e-01  2.8824200000e-01  1.8203730000e+00  3.6123100000e-01  3.1774700000e-01  4.2428500000e-01 -2.0366800000e-01  1.6372400000e-01
-ENERGY -1.526594837044e+02
-FORCES  8.0400000000e-05 -3.5730000000e-04 -4.1020000000e-03  1.1024000000e-03 -5.6296000000e-03  1.1888000000e-03  2.3330000000e-03  2.9609000000e-03  3.2929000000e-03 -1.0907500000e-02  3.9957000000e-03 -1.9119000000e-03 -2.8642000000e-03 -1.6416000000e-03 -6.3080000000e-04  1.0255900000e-02  6.7180000000e-04  2.1630000000e-03
-
-JOB 16
-COORDS  7.1959400000e-01 -2.4804800000e-01  1.2070370000e+00  3.3327900000e-01 -3.0397000000e-01  3.3304300000e-01  1.6638590000e+00 -2.2950500000e-01  1.0513090000e+00 -7.2272600000e-01  1.9919800000e-01 -1.1169410000e+00 -3.5517800000e-01  5.5384900000e-01 -1.9264860000e+00 -1.5118610000e+00  7.1886000000e-01 -9.6380600000e-01
-ENERGY -1.526603509031e+02
-FORCES -4.2698000000e-03  1.7634000000e-03 -1.1150300000e-02  5.6282000000e-03 -2.6548000000e-03  7.8293000000e-03 -3.0764000000e-03  2.6320000000e-04 -8.4490000000e-04 -1.4700000000e-05  3.9430000000e-03  2.8399000000e-03 -1.9308000000e-03 -1.1825000000e-03  3.9503000000e-03  3.6634000000e-03 -2.1324000000e-03 -2.6243000000e-03
-
-JOB 17
-COORDS -8.7900100000e-01  1.0789940000e+00 -2.9672300000e-01 -3.2235900000e-01  4.8354300000e-01 -7.9853900000e-01 -1.7380130000e+00  6.5674300000e-01 -2.9077800000e-01  8.5945900000e-01 -9.6708300000e-01  3.1386200000e-01  1.6623050000e+00 -1.0740820000e+00  8.2398100000e-01  6.9455500000e-01 -1.8332830000e+00 -5.8610000000e-02
-ENERGY -1.526537064255e+02
-FORCES  5.3415000000e-03 -1.0217600000e-02  2.4157000000e-03 -4.6815000000e-03  3.4685000000e-03 -3.2035000000e-03  2.8336000000e-03  1.1311000000e-03 -2.8470000000e-04  1.1479000000e-03  1.7890000000e-04  2.7430000000e-03 -4.0571000000e-03 -1.5450000000e-04 -2.2949000000e-03 -5.8440000000e-04  5.5935000000e-03  6.2440000000e-04
-
-JOB 18
-COORDS -6.2315600000e-01  5.4155000000e-01  1.0493020000e+00 -7.0160300000e-01 -8.1595000000e-02  1.7716380000e+00 -1.0631520000e+00  1.3310130000e+00  1.3645540000e+00  6.1675700000e-01 -5.8111000000e-01 -1.1635950000e+00  1.5594940000e+00 -6.3056600000e-01 -1.0053810000e+00  2.8084800000e-01 -4.3949000000e-02 -4.4606100000e-01
-ENERGY -1.526610393194e+02
-FORCES -6.4590000000e-04 -1.5037000000e-03 -3.5700000000e-04  1.6920000000e-04  4.2994000000e-03 -2.5385000000e-03  1.6922000000e-03 -4.4717000000e-03  9.5100000000e-05 -3.0773000000e-03  5.8435000000e-03  8.9957000000e-03 -3.0773000000e-03  2.2750000000e-04  5.4010000000e-04  4.9391000000e-03 -4.3950000000e-03 -6.7354000000e-03
-
-JOB 19
-COORDS  7.5591300000e-01  2.0767500000e-01  1.2228320000e+00  1.1259000000e-01  1.2139100000e-01  5.1932500000e-01  1.3322190000e+00  9.1587200000e-01  9.3549800000e-01 -7.2313600000e-01 -2.1494100000e-01 -1.1105790000e+00 -6.5963800000e-01  6.3977000000e-02 -2.0240360000e+00 -1.2641360000e+00 -1.0041280000e+00 -1.1376790000e+00
-ENERGY -1.526601060223e+02
-FORCES -4.5683000000e-03  7.2560000000e-04 -1.1841600000e-02  2.3825000000e-03 -6.7300000000e-05  8.2757000000e-03 -1.3433000000e-03 -1.7617000000e-03  7.5420000000e-04  2.0810000000e-03 -7.2190000000e-04 -2.3000000000e-04 -1.1659000000e-03 -2.3915000000e-03  3.5754000000e-03  2.6140000000e-03  4.2169000000e-03 -5.3370000000e-04
-
-JOB 20
-COORDS -2.8447900000e-01  1.3919760000e+00 -2.2481100000e-01 -2.6340800000e-01  4.3822700000e-01 -1.4639000000e-01 -1.2156080000e+00  1.6081490000e+00 -2.7480500000e-01  3.3689100000e-01 -1.2875540000e+00  1.8293500000e-01  1.1335130000e+00 -1.7166880000e+00  4.9513600000e-01 -3.7623300000e-01 -1.8229190000e+00  5.3088800000e-01
-ENERGY -1.526596154546e+02
-FORCES  1.7189000000e-03 -1.0384400000e-02  1.1893000000e-03 -5.7932000000e-03  8.2605000000e-03 -1.4807000000e-03  2.7139000000e-03 -2.6265000000e-03  6.6580000000e-04  2.9605000000e-03  1.2800000000e-03  2.3876000000e-03 -4.7429000000e-03 -1.8410000000e-04 -9.9880000000e-04  3.1428000000e-03  3.6545000000e-03 -1.7631000000e-03
-
-JOB 21
-COORDS -6.7899000000e-01 -1.1543660000e+00 -5.5014000000e-01 -1.2649420000e+00 -1.5375300000e+00  1.0260600000e-01 -1.4737600000e-01 -5.2894900000e-01 -5.7725000000e-02  7.4685600000e-01  1.1204700000e+00  4.6196800000e-01  1.3248200000e-01  6.5410600000e-01  1.0287850000e+00  2.7753000000e-01  1.9123660000e+00  1.9954600000e-01
-ENERGY -1.526508103718e+02
-FORCES  4.8908000000e-03  4.8962000000e-03  1.9677000000e-03  3.3096000000e-03  4.0253000000e-03 -1.2094000000e-03 -6.5073000000e-03 -1.4731000000e-03  8.6102000000e-03 -6.2904000000e-03  3.4274000000e-03 -9.9130000000e-04  1.6473000000e-03 -7.1423000000e-03 -1.0646600000e-02  2.9502000000e-03 -3.7335000000e-03  2.2694000000e-03
-
-JOB 22
-COORDS -7.6349000000e-01  1.0034200000e+00 -6.4792500000e-01 -1.5571800000e+00  9.5718600000e-01 -1.1486600000e-01 -8.0091900000e-01  2.2392700000e-01 -1.2022010000e+00  8.8759800000e-01 -9.4469500000e-01  6.3869700000e-01  3.7332900000e-01 -1.6940660000e+00  9.3903500000e-01  2.3780500000e-01 -2.6720000000e-01  4.5161100000e-01
-ENERGY -1.526574348761e+02
-FORCES -3.2627000000e-03 -1.7926000000e-03 -3.9433000000e-03  6.3972000000e-03 -2.1894000000e-03 -1.1160000000e-03  8.1920000000e-04  3.0725000000e-03  6.7100000000e-03 -5.8907000000e-03  7.1927000000e-03 -1.5947000000e-03  2.5010000000e-04  3.8118000000e-03 -2.3373000000e-03  1.6868000000e-03 -1.0094900000e-02  2.2813000000e-03
-
-JOB 23
-COORDS -3.9117500000e-01  3.8893800000e-01  1.3705060000e+00  2.5215600000e-01  4.2059300000e-01  6.6244200000e-01 -9.4385500000e-01 -3.6346000000e-01  1.1591440000e+00  3.9301400000e-01 -3.4913800000e-01 -1.2435740000e+00  1.0203590000e+00 -4.7058000000e-02 -1.9003980000e+00 -3.7023000000e-01 -6.2640400000e-01 -1.7503430000e+00
-ENERGY -1.526583957129e+02
-FORCES  2.6615000000e-03 -5.5731000000e-03 -1.1779100000e-02  3.3810000000e-04  3.2938000000e-03  6.5366000000e-03 -4.8370000000e-04  1.9690000000e-03  1.6477000000e-03 -3.1357000000e-03  6.2910000000e-04 -1.8753000000e-03 -3.3100000000e-03 -9.8950000000e-04  3.3689000000e-03  3.9298000000e-03  6.7070000000e-04  2.1012000000e-03
-
-JOB 24
-COORDS  3.8254600000e-01 -1.3915410000e+00 -5.8538000000e-02  3.6540700000e-01 -1.9227020000e+00  7.3758200000e-01 -8.0114000000e-02 -5.8797800000e-01  1.7908400000e-01 -3.7629500000e-01  1.3384720000e+00  5.4669000000e-02  3.1846200000e-01  1.1486060000e+00 -5.7580300000e-01 -7.3865700000e-01  2.1765420000e+00 -2.3266900000e-01
-ENERGY -1.526598471552e+02
-FORCES -4.4032000000e-03  4.2724000000e-03  4.8760000000e-03 -4.7690000000e-04  1.9825000000e-03 -2.4397000000e-03  7.0801000000e-03 -3.9125000000e-03 -4.1513000000e-03  4.5460000000e-04  2.0584000000e-03 -3.5198000000e-03 -5.7856000000e-03 -1.4098000000e-03  4.7645000000e-03  3.1310000000e-03 -2.9911000000e-03  4.7030000000e-04
-
-JOB 25
-COORDS -6.3333100000e-01 -8.0754100000e-01  9.3713900000e-01 -7.7353400000e-01 -1.5560960000e+00  3.5727600000e-01 -3.5746500000e-01 -1.1955890000e+00  1.7675300000e+00  6.5877100000e-01  9.3689400000e-01 -9.6583800000e-01  6.2009800000e-01  4.5307200000e-01 -1.4082100000e-01  1.1721500000e-01  4.2726800000e-01 -1.5685250000e+00
-ENERGY -1.526582562304e+02
-FORCES -1.0650000000e-03 -4.2325000000e-03  3.5530000000e-04  1.4541000000e-03  4.4622000000e-03  2.0918000000e-03 -7.7350000000e-04  2.0678000000e-03 -4.6544000000e-03 -6.9343000000e-03 -7.2528000000e-03  6.5918000000e-03  5.4270000000e-03  3.9784000000e-03 -5.0272000000e-03  1.8915000000e-03  9.7700000000e-04  6.4270000000e-04
-
-JOB 26
-COORDS -7.2623100000e-01  1.1449260000e+00  6.4765900000e-01 -6.2356300000e-01  7.5625700000e-01 -2.2103500000e-01 -1.1627000000e-02  7.7158200000e-01  1.1635930000e+00  6.3468400000e-01 -1.0518410000e+00 -6.4566200000e-01  1.4963080000e+00 -1.2134000000e+00 -1.0300260000e+00  5.3154500000e-01 -1.7410850000e+00  1.0491000000e-02
-ENERGY -1.526585904503e+02
-FORCES  7.4337000000e-03 -8.0457000000e-03 -5.2109000000e-03 -3.9556000000e-03  4.7258000000e-03  2.0737000000e-03 -2.5595000000e-03  1.6940000000e-03  1.7906000000e-03  1.4676000000e-03 -2.8993000000e-03  1.3581000000e-03 -3.9025000000e-03  6.7930000000e-04  2.5632000000e-03  1.5162000000e-03  3.8460000000e-03 -2.5747000000e-03
-
-JOB 27
-COORDS  6.5325500000e-01  1.1831190000e+00  5.5497900000e-01  1.4198090000e+00  6.9775100000e-01  2.4994800000e-01  4.1143000000e-01  1.7396960000e+00 -1.8527400000e-01 -6.7772900000e-01 -1.2421900000e+00 -4.5981000000e-01 -4.8266000000e-02 -5.2194700000e-01 -4.9528400000e-01 -1.3986740000e+00 -9.5874800000e-01 -1.0220640000e+00
-ENERGY -1.526529508042e+02
-FORCES  2.4586000000e-03  2.0363000000e-03 -1.1002000000e-03 -7.8860000000e-03 -3.5810000000e-04 -8.5880000000e-04  9.5700000000e-05 -5.5207000000e-03  2.7646000000e-03  3.4090000000e-04  9.3045000000e-03  2.4040000000e-03  2.0693000000e-03 -4.9014000000e-03 -5.0743000000e-03  2.9215000000e-03 -5.6060000000e-04  1.8647000000e-03
-
-JOB 28
-COORDS -8.3761600000e-01  7.1684500000e-01 -9.4212500000e-01 -1.1029990000e+00  7.5288000000e-02 -2.8318000000e-01 -1.3755560000e+00  5.1193500000e-01 -1.7068890000e+00  9.4388400000e-01 -6.8698800000e-01  9.5845200000e-01  5.1093900000e-01 -6.3790800000e-01  1.0617200000e-01  2.9289200000e-01 -3.5685500000e-01  1.5776890000e+00
-ENERGY -1.526518713056e+02
-FORCES -4.5319000000e-03 -1.4251000000e-03 -5.8710000000e-04  7.9915000000e-03  8.9300000000e-05 -1.6479000000e-03  3.0880000000e-03  6.9160000000e-04  4.1645000000e-03 -2.8042000000e-03  5.8177000000e-03 -3.7791000000e-03 -4.5346000000e-03 -2.9564000000e-03  5.7686000000e-03  7.9120000000e-04 -2.2170000000e-03 -3.9190000000e-03
-
-JOB 29
-COORDS -5.6907900000e-01 -5.7237500000e-01 -1.1594330000e+00  5.4149000000e-02 -1.1232210000e+00 -1.6331280000e+00 -8.4567700000e-01  8.2722000000e-02 -1.8001930000e+00  6.0945000000e-01  5.5831100000e-01  1.2574340000e+00 -5.8688000000e-02  1.2177960000e+00  1.4442620000e+00  2.2842300000e-01  2.0628000000e-02  5.6321000000e-01
-ENERGY -1.526609825050e+02
-FORCES  1.7560000000e-03  2.0633000000e-03 -4.4698000000e-03 -2.9828000000e-03  3.2284000000e-03  2.4846000000e-03  1.1983000000e-03 -3.6065000000e-03  2.5470000000e-03 -7.2043000000e-03 -2.6111000000e-03 -8.0304000000e-03  2.0935000000e-03 -1.4178000000e-03 -6.9630000000e-04  5.1394000000e-03  2.3438000000e-03  8.1649000000e-03
-
-JOB 30
-COORDS  2.4239400000e-01  2.5065500000e-01 -1.4868190000e+00 -2.6279400000e-01  5.5999800000e-01 -7.3493900000e-01  7.9148400000e-01 -4.5008100000e-01 -1.1351060000e+00 -2.2642700000e-01 -1.7058400000e-01  1.4625330000e+00  3.3982700000e-01 -8.7378100000e-01  1.1445660000e+00 -1.0912500000e+00 -3.8109000000e-01  1.1103970000e+00
-ENERGY -1.526537270522e+02
-FORCES  1.4838000000e-03  2.3170000000e-04  9.6365000000e-03 -1.9921000000e-03 -2.3759000000e-03 -5.5043000000e-03 -2.1343000000e-03  3.2170000000e-04 -5.1730000000e-04 -8.2400000000e-04 -5.7221000000e-03 -1.5850000000e-03 -1.8793000000e-03  4.1671000000e-03 -1.1770000000e-03  5.3458000000e-03  3.3774000000e-03 -8.5300000000e-04
-
-JOB 31
-COORDS  2.7926800000e-01 -1.2047560000e+00  8.8765300000e-01  5.6461800000e-01 -1.8586600000e+00  2.4951800000e-01 -2.7852000000e-02 -4.6966300000e-01  3.5704200000e-01 -3.2449900000e-01  1.1540810000e+00 -7.8528600000e-01 -8.2800000000e-04  1.0831550000e+00 -1.6833060000e+00  1.1789100000e-01  1.9254260000e+00 -4.3095600000e-01
-ENERGY -1.526612322003e+02
-FORCES -2.1048000000e-03  5.9822000000e-03 -7.6794000000e-03 -7.2370000000e-04  2.2414000000e-03  1.5043000000e-03  2.5409000000e-03 -8.2478000000e-03  6.1512000000e-03  3.4837000000e-03  3.7024000000e-03 -2.0918000000e-03 -1.1319000000e-03  1.9170000000e-04  4.5884000000e-03 -2.0642000000e-03 -3.8699000000e-03 -2.4727000000e-03
-
-JOB 32
-COORDS -2.0901200000e-01 -5.4644500000e-01 -1.3070940000e+00 -8.8114500000e-01 -1.3736100000e-01 -1.8521810000e+00  6.0053000000e-01 -4.4485200000e-01 -1.8076450000e+00  2.0472500000e-01  4.5968100000e-01  1.4160590000e+00  1.1445900000e-01  1.3859190000e+00  1.6400400000e+00  2.5112000000e-01  4.4737000000e-01  4.6006300000e-01
-ENERGY -1.526588902012e+02
-FORCES -1.7385000000e-03 -1.0456000000e-03 -5.3781000000e-03  3.9962000000e-03 -1.4473000000e-03  2.7082000000e-03 -4.1246000000e-03  1.1883000000e-03  4.1073000000e-03 -1.7244000000e-03 -6.4930000000e-04 -7.7277000000e-03 -4.6500000000e-05 -3.2295000000e-03 -2.0605000000e-03  3.6378000000e-03  5.1834000000e-03  8.3507000000e-03
-
-JOB 33
-COORDS  5.7526400000e-01 -1.1112830000e+00  7.0576500000e-01  1.0335570000e+00 -1.5803260000e+00  1.4030430000e+00  1.4426000000e-01 -1.7983490000e+00  1.9742700000e-01 -5.8066900000e-01  1.2395490000e+00 -7.1955000000e-01 -4.4634000000e-02  7.2636900000e-01 -1.1494700000e-01 -1.0342870000e+00  5.8609800000e-01 -1.2519640000e+00
-ENERGY -1.526593765422e+02
-FORCES  3.9620000000e-04 -4.2891000000e-03  1.4022000000e-03 -2.4242000000e-03  9.6140000000e-04 -3.5779000000e-03  1.7546000000e-03  3.5906000000e-03  2.1006000000e-03  2.7729000000e-03 -7.9146000000e-03  3.5395000000e-03 -3.6045000000e-03  6.0382000000e-03 -4.7281000000e-03  1.1050000000e-03  1.6135000000e-03  1.2637000000e-03
-
-JOB 34
-COORDS  7.6916000000e-02  2.6170200000e-01  1.4357550000e+00 -8.3390900000e-01  1.9675600000e-01  1.7228300000e+00  5.2030000000e-01 -4.6183400000e-01  1.8786310000e+00 -8.8375000000e-02 -1.7188900000e-01 -1.5253130000e+00  1.6225800000e-01 -1.0826210000e+00 -1.6801760000e+00  3.1155800000e-01  4.7301000000e-02 -6.8374200000e-01
-ENERGY -1.526597632184e+02
-FORCES -4.7914000000e-03 -2.5887000000e-03  3.3986000000e-03  4.8545000000e-03 -9.4100000000e-05  4.9200000000e-05 -2.1017000000e-03  2.8365000000e-03 -3.3488000000e-03  2.3666000000e-03 -7.8310000000e-04  8.2494000000e-03 -8.4130000000e-04  2.8115000000e-03  1.0806000000e-03  5.1340000000e-04 -2.1821000000e-03 -9.4290000000e-03
-
-JOB 35
-COORDS -1.2524220000e+00 -8.8067000000e-01 -1.6436600000e-01 -1.0617330000e+00 -1.6126290000e+00  4.2224000000e-01 -8.0849200000e-01 -1.3198700000e-01  2.3392000000e-01  1.1573770000e+00  8.5346800000e-01  1.1559700000e-01  1.5880750000e+00  1.4353490000e+00  7.4181200000e-01  1.7914140000e+00  7.5359600000e-01 -5.9451200000e-01
-ENERGY -1.526593381285e+02
-FORCES  7.1572000000e-03  3.1382000000e-03  3.7130000000e-03 -8.6850000000e-04  2.0805000000e-03 -1.9404000000e-03 -7.1939000000e-03 -4.2083000000e-03  8.2800000000e-05  4.4473000000e-03  5.0640000000e-04 -3.2077000000e-03 -2.0844000000e-03 -3.0517000000e-03 -2.7415000000e-03 -1.4579000000e-03  1.5349000000e-03  4.0939000000e-03
-
-JOB 36
-COORDS -8.6995500000e-01 -9.8305100000e-01 -8.1383600000e-01 -3.6601100000e-01 -2.6905400000e-01 -4.2334800000e-01 -3.0932800000e-01 -1.3176560000e+00 -1.5138140000e+00  8.0725900000e-01  9.0415200000e-01  8.0375400000e-01  9.5353000000e-02  1.4686960000e+00  1.1049410000e+00  1.6046480000e+00  1.3880490000e+00  1.0188020000e+00
-ENERGY -1.526599187011e+02
-FORCES  8.0281000000e-03  3.4615000000e-03  1.6391000000e-03 -7.7388000000e-03 -3.0080000000e-03 -3.3591000000e-03 -1.9439000000e-03  7.7480000000e-04  1.9132000000e-03  2.3321000000e-03  3.5955000000e-03  2.6965000000e-03  3.3712000000e-03 -3.4321000000e-03 -2.9210000000e-03 -4.0488000000e-03 -1.3917000000e-03  3.1300000000e-05
-
-JOB 37
-COORDS -6.1434400000e-01 -1.0427070000e+00 -9.4177700000e-01 -1.5629800000e-01 -3.4238800000e-01 -1.4065120000e+00 -1.4703470000e+00 -6.7033900000e-01 -7.3003800000e-01  6.4987200000e-01  9.7809100000e-01  8.8600400000e-01  8.6769500000e-01  1.6823480000e+00  1.4965830000e+00  2.5948700000e-01  2.9739900000e-01  1.4341740000e+00
-ENERGY -1.526569890328e+02
-FORCES  6.8250000000e-04  7.8041000000e-03 -6.9640000000e-04 -2.9349000000e-03 -4.4753000000e-03 -6.9240000000e-04  2.8584000000e-03 -2.2693000000e-03  1.0880000000e-04 -5.5680000000e-04 -2.8508000000e-03  4.4155000000e-03 -1.4418000000e-03 -3.3415000000e-03 -2.7746000000e-03  1.3926000000e-03  5.1327000000e-03 -3.6090000000e-04
-
-JOB 38
-COORDS -3.3216400000e-01  3.9709300000e-01  1.4164800000e+00  2.2618000000e-02  1.2847820000e+00  1.3678120000e+00  4.0304500000e-01 -1.3926200000e-01  1.7131660000e+00  2.5432900000e-01 -4.6265400000e-01 -1.4813820000e+00  6.5851800000e-01  4.0140700000e-01 -1.5605000000e+00  5.1135000000e-02 -5.4817000000e-01 -5.4991400000e-01
-ENERGY -1.526574849386e+02
-FORCES  3.3783000000e-03  3.9480000000e-03  3.6222000000e-03 -1.1333000000e-03 -4.7047000000e-03 -5.2660000000e-04 -3.8864000000e-03  2.0257000000e-03 -4.8164000000e-03 -2.3699000000e-03  5.3144000000e-03  7.6740000000e-03 -5.2560000000e-04 -2.6171000000e-03 -1.3210000000e-04  4.5368000000e-03 -3.9663000000e-03 -5.8212000000e-03
-
-JOB 39
-COORDS -8.8745200000e-01  9.9592000000e-01 -7.8720000000e-01 -2.2844700000e-01  3.7549100000e-01 -4.7573300000e-01 -3.8868400000e-01  1.6506020000e+00 -1.2759280000e+00  8.5057100000e-01 -9.7145000000e-01  7.5091400000e-01  3.6336000000e-01 -5.1852300000e-01  1.4391830000e+00  6.7396700000e-01 -1.8998300000e+00  9.0307700000e-01
-ENERGY -1.526610222038e+02
-FORCES  6.6229000000e-03 -3.4506000000e-03 -3.6720000000e-04 -6.3141000000e-03  7.7059000000e-03 -8.6520000000e-04 -1.4465000000e-03 -2.3868000000e-03  1.8845000000e-03 -1.8195000000e-03 -4.4910000000e-03  4.8332000000e-03  1.9854000000e-03 -1.7814000000e-03 -5.7988000000e-03  9.7170000000e-04  4.4038000000e-03  3.1360000000e-04
-
-JOB 40
-COORDS -1.3798890000e+00  2.9545800000e-01 -5.9782300000e-01 -1.6159850000e+00  1.1186820000e+00 -1.0253660000e+00 -5.8104000000e-01  4.9831300000e-01 -1.1107600000e-01  1.3555630000e+00 -3.9153000000e-01  5.3664200000e-01  1.3517900000e+00  5.6041300000e-01  6.3675100000e-01  1.2373510000e+00 -7.2677400000e-01  1.4253880000e+00
-ENERGY -1.526538385486e+02
-FORCES  5.2893000000e-03  3.2160000000e-04  6.0330000000e-04  2.2378000000e-03 -3.1034000000e-03  2.1983000000e-03 -4.5811000000e-03  5.4406000000e-03 -4.9810000000e-04  2.0754000000e-03 -2.7520000000e-04  4.7963000000e-03 -5.4854000000e-03 -4.5840000000e-03 -2.4981000000e-03  4.6400000000e-04  2.2003000000e-03 -4.6017000000e-03
-
-JOB 41
-COORDS -3.7541400000e-01 -1.3160450000e+00  7.1717600000e-01 -4.1471500000e-01 -6.0136000000e-01  8.1635000000e-02 -1.2185580000e+00 -1.2820080000e+00  1.1690390000e+00  4.2228400000e-01  1.2247470000e+00 -6.6634200000e-01  1.2880400000e-01  2.1216080000e+00 -5.0589800000e-01  7.5574500000e-01  1.2382270000e+00 -1.5634780000e+00
-ENERGY -1.526596332560e+02
-FORCES -7.4240000000e-04  7.2353000000e-03 -2.6500000000e-03 -3.1182000000e-03 -8.5740000000e-03  3.1089000000e-03  2.7918000000e-03  4.7250000000e-04 -1.5307000000e-03  1.7220000000e-03  4.7451000000e-03 -1.8714000000e-03  1.4337000000e-03 -3.9942000000e-03 -1.3743000000e-03 -2.0869000000e-03  1.1530000000e-04  4.3176000000e-03
-
-JOB 42
-COORDS -4.4352600000e-01  4.1484700000e-01 -1.3680560000e+00 -1.1825270000e+00  8.6105900000e-01 -9.5452900000e-01 -7.7684500000e-01  1.3942200000e-01 -2.2220300000e+00  4.9872000000e-01 -4.4098800000e-01  1.4591470000e+00  1.2524390000e+00 -5.5720000000e-02  1.0122590000e+00 -1.6255000000e-01 -5.3833400000e-01  7.7396300000e-01
-ENERGY -1.526587130463e+02
-FORCES -3.9815000000e-03  2.0159000000e-03 -4.0501000000e-03  3.7887000000e-03 -4.0761000000e-03 -9.1960000000e-04  1.1979000000e-03  1.6303000000e-03  4.0916000000e-03  9.0410000000e-04  1.4297000000e-03 -9.3329000000e-03 -1.2755000000e-03 -1.2321000000e-03  3.7568000000e-03 -6.3380000000e-04  2.3220000000e-04  6.4542000000e-03
-
-JOB 43
-COORDS  2.4907800000e-01 -1.4733620000e+00  1.5217700000e-01  1.6005400000e-01 -2.0682850000e+00  8.9674000000e-01  1.1495530000e+00 -1.5974150000e+00 -1.4780300000e-01 -2.7924100000e-01  1.5803530000e+00 -1.6881600000e-01 -8.0043200000e-01  1.2154240000e+00 -8.8395100000e-01 -7.3944000000e-02  8.2826700000e-01  3.8656800000e-01
-ENERGY -1.526600002718e+02
-FORCES  3.7396000000e-03 -4.9284000000e-03  4.8680000000e-04  7.7500000000e-04  3.2273000000e-03 -3.3264000000e-03 -4.4220000000e-03  4.5580000000e-04  1.9586000000e-03 -1.2550000000e-03 -9.4049000000e-03 -4.8830000000e-04  1.3437000000e-03  3.0306000000e-03  1.3815000000e-03 -1.8120000000e-04  7.6196000000e-03 -1.2200000000e-05
-
-JOB 44
-COORDS -4.2954900000e-01  1.4400240000e+00  1.6762400000e-01 -9.9533800000e-01  2.2109050000e+00  2.1071200000e-01  4.2386000000e-01  1.7515440000e+00  4.6908900000e-01  4.5661700000e-01 -1.5536090000e+00 -2.1839900000e-01 -1.9610600000e-01 -9.9311600000e-01 -6.3796000000e-01  4.1083400000e-01 -1.3223270000e+00  7.0931000000e-01
-ENERGY -1.526585927241e+02
-FORCES  1.9772000000e-03  5.4076000000e-03  1.0939000000e-03  2.8161000000e-03 -3.3222000000e-03 -1.6070000000e-04 -4.4135000000e-03 -1.0974000000e-03 -5.0250000000e-04 -4.8543000000e-03  6.7525000000e-03  2.2920000000e-03  2.5954000000e-03 -5.6044000000e-03 -3.0790000000e-04  1.8791000000e-03 -2.1361000000e-03 -2.4148000000e-03
-
-JOB 45
-COORDS  1.1920590000e+00 -7.5607900000e-01  5.5612000000e-01  2.0330470000e+00 -9.5046000000e-01  9.6986800000e-01  7.7643600000e-01 -1.6110240000e+00  4.4405400000e-01 -1.2342600000e+00  8.7626600000e-01 -5.5539100000e-01 -3.6055500000e-01  4.8856400000e-01 -5.0481200000e-01 -1.7824900000e+00  1.8490000000e-01 -9.2645500000e-01
-ENERGY -1.526583886638e+02
-FORCES  3.3380000000e-03 -3.8449000000e-03  3.3096000000e-03 -3.9713000000e-03 -3.2140000000e-04 -1.4814000000e-03  1.4954000000e-03  4.4542000000e-03 -6.4830000000e-04  4.5629000000e-03 -4.3115000000e-03  6.5780000000e-04 -7.6071000000e-03  2.2197000000e-03 -3.4750000000e-03  2.1820000000e-03  1.8040000000e-03  1.6373000000e-03
-
-JOB 46
-COORDS -1.6107540000e+00 -5.2164000000e-02  3.0594000000e-01 -9.2414000000e-01 -5.1058300000e-01  7.9034200000e-01 -1.3843290000e+00  8.7428500000e-01  3.8752400000e-01  1.5224080000e+00 -3.4406000000e-02 -3.1881100000e-01  1.0989060000e+00  7.9282400000e-01 -5.4809100000e-01  2.4561930000e+00  1.2932000000e-01 -4.5098600000e-01
-ENERGY -1.526556172715e+02
-FORCES  5.4768000000e-03 -1.9600000000e-05  2.7757000000e-03 -5.3960000000e-03  2.4182000000e-03 -9.4130000000e-04  1.1500000000e-05 -2.9093000000e-03 -1.6803000000e-03  2.4416000000e-03  3.6143000000e-03 -3.3395000000e-03  1.8381000000e-03 -2.6396000000e-03  2.8456000000e-03 -4.3721000000e-03 -4.6410000000e-04  3.3980000000e-04
-
-JOB 47
-COORDS -4.8036800000e-01  1.0461700000e-01  1.5598660000e+00 -1.3630600000e-01 -1.3839800000e-01  7.0033400000e-01  7.6704000000e-02 -3.6283300000e-01  2.1822750000e+00  4.1619100000e-01 -4.0057000000e-02 -1.4883080000e+00 -1.5078400000e-01 -4.7012500000e-01 -2.1284740000e+00  1.2920030000e+00 -9.0533000000e-02 -1.8712410000e+00
-ENERGY -1.526602895769e+02
-FORCES  4.0664000000e-03 -1.9816000000e-03 -4.6796000000e-03 -2.9862000000e-03 -3.0290000000e-04  9.3209000000e-03 -1.6204000000e-03  1.5503000000e-03 -2.3658000000e-03  1.4848000000e-03 -8.4020000000e-04 -6.3224000000e-03  3.2187000000e-03  1.7783000000e-03  2.7364000000e-03 -4.1633000000e-03 -2.0390000000e-04  1.3104000000e-03
-
-JOB 48
-COORDS  3.5614000000e-02  4.6930000000e-01  1.5302990000e+00  6.0405000000e-01 -2.7826000000e-01  1.7154120000e+00 -7.7919800000e-01  2.7133000000e-01  1.9919500000e+00 -6.7216000000e-02 -4.0613600000e-01 -1.6159160000e+00  7.9223300000e-01  1.5243000000e-02 -1.6115070000e+00 -8.7173000000e-02 -9.1903900000e-01 -8.0797800000e-01
-ENERGY -1.526540360443e+02
-FORCES -2.0995000000e-03 -1.7925000000e-03  3.8996000000e-03 -2.8191000000e-03  2.5920000000e-03 -3.3050000000e-03  3.9508000000e-03  3.2870000000e-04 -2.1696000000e-03  2.9714000000e-03  2.8371000000e-03  6.9622000000e-03 -2.5023000000e-03 -2.5413000000e-03 -1.3507000000e-03  4.9880000000e-04 -1.4240000000e-03 -4.0364000000e-03
-
-JOB 49
-COORDS  1.3307430000e+00 -9.0492700000e-01  4.8227800000e-01  1.0175120000e+00 -3.8517700000e-01  1.2225330000e+00  5.5386300000e-01 -1.0435240000e+00 -5.9459000000e-02 -1.2337210000e+00  8.3386700000e-01 -5.0175400000e-01 -1.6171660000e+00  1.3681970000e+00 -1.1972340000e+00 -1.5769870000e+00  1.2116010000e+00  3.0800900000e-01
-ENERGY -1.526570269536e+02
-FORCES -6.9061000000e-03  4.1463000000e-03 -1.3403000000e-03  1.6893000000e-03 -2.1155000000e-03 -1.0270000000e-03  4.8945000000e-03 -2.8779000000e-03  2.7965000000e-03 -3.0626000000e-03  5.0316000000e-03 -6.7350000000e-04  1.3224000000e-03 -2.1108000000e-03  3.3464000000e-03  2.0624000000e-03 -2.0738000000e-03 -3.1021000000e-03
-
-JOB 50
-COORDS -1.7987300000e-01  1.0976720000e+00  1.1384410000e+00 -4.7728200000e-01  1.8469910000e+00  6.2239800000e-01  4.8316800000e-01  1.4592780000e+00  1.7265310000e+00  1.3085000000e-01 -1.2048370000e+00 -1.1851220000e+00 -3.1074500000e-01 -7.6025600000e-01 -4.6153800000e-01  1.0301950000e+00 -8.7856600000e-01 -1.1541970000e+00
-ENERGY -1.526592250029e+02
-FORCES  1.6917000000e-03  5.7677000000e-03  2.0943000000e-03  1.6811000000e-03 -3.8438000000e-03  2.2084000000e-03 -2.9039000000e-03 -9.7890000000e-04 -2.9493000000e-03  1.9265000000e-03  4.9749000000e-03  6.1976000000e-03 -8.6200000000e-05 -4.1914000000e-03 -6.1179000000e-03 -2.3093000000e-03 -1.7285000000e-03 -1.4330000000e-03
-
-JOB 51
-COORDS  1.2615000000e+00  7.4725800000e-01 -7.0053800000e-01  1.9836520000e+00  4.4368400000e-01 -1.5047300000e-01  1.0061210000e+00  1.5872890000e+00 -3.1927800000e-01 -1.2969680000e+00 -8.3720900000e-01  6.7576200000e-01 -5.1334100000e-01 -4.3411900000e-01  3.0202600000e-01 -2.0021300000e+00 -2.2156100000e-01  4.7587000000e-01
-ENERGY -1.526592994646e+02
-FORCES  6.0108000000e-03  4.3704000000e-03  1.6459000000e-03 -4.5255000000e-03  1.3148000000e-03 -2.2771000000e-03 -1.0580000000e-04 -5.1472000000e-03 -1.2968000000e-03  2.5843000000e-03  4.4198000000e-03 -4.9677000000e-03 -6.4523000000e-03 -3.1803000000e-03  5.7727000000e-03  2.4885000000e-03 -1.7775000000e-03  1.1229000000e-03
-
-JOB 52
-COORDS -9.7895400000e-01  9.8107000000e-01 -8.3087700000e-01 -1.6721130000e+00  1.5955150000e+00 -5.8959000000e-01 -1.7697100000e-01  1.5031360000e+00 -8.0847800000e-01  1.0239220000e+00 -1.0375960000e+00  8.6221800000e-01  9.5551800000e-01 -1.6231830000e+00  1.0813600000e-01  2.2845600000e-01 -5.0638100000e-01  8.2648800000e-01
-ENERGY -1.526591872187e+02
-FORCES -2.6050000000e-04  6.4131000000e-03 -1.4979000000e-03  3.4675000000e-03 -2.7232000000e-03 -7.5310000000e-04 -4.3599000000e-03 -2.8483000000e-03  7.3200000000e-04 -6.0283000000e-03  1.0920000000e-04 -4.6163000000e-03  1.3680000000e-03  1.5684000000e-03  2.9999000000e-03  5.8132000000e-03 -2.5192000000e-03  3.1354000000e-03
-
-JOB 53
-COORDS -7.9803300000e-01  1.1335810000e+00 -9.9336300000e-01 -1.5537620000e+00  6.5873900000e-01 -1.3392420000e+00 -1.3469500000e-01  4.5825000000e-01 -8.5144100000e-01  7.6086900000e-01 -1.1101050000e+00  9.8021100000e-01  1.7089740000e+00 -1.0657250000e+00  8.5627400000e-01  5.6085600000e-01 -3.7939800000e-01  1.5652700000e+00
-ENERGY -1.526588151091e+02
-FORCES  8.5200000000e-05 -6.9195000000e-03 -1.4790000000e-04  2.5328000000e-03  2.2000000000e-03  1.0404000000e-03 -2.7179000000e-03  6.2047000000e-03 -2.5348000000e-03  3.2732000000e-03  1.7063000000e-03  5.4965000000e-03 -4.7185000000e-03  4.8150000000e-04 -3.8330000000e-04  1.5452000000e-03 -3.6731000000e-03 -3.4709000000e-03
-
-JOB 54
-COORDS  6.1700000000e-03 -7.7974100000e-01 -1.4585170000e+00 -6.6017300000e-01 -1.1072830000e+00 -8.5441900000e-01  2.0502000000e-01 -1.5259740000e+00 -2.0240480000e+00 -1.5480000000e-03  8.5220200000e-01  1.5194240000e+00 -5.9476000000e-02  1.4119860000e+00  7.4513900000e-01  4.5790000000e-01  6.9317000000e-02  1.2157310000e+00
-ENERGY -1.526576166267e+02
-FORCES -2.7768000000e-03 -4.9823000000e-03 -1.9682000000e-03  4.4774000000e-03  1.5232000000e-03 -2.1897000000e-03 -1.1079000000e-03  3.0372000000e-03  2.7533000000e-03  3.5298000000e-03 -1.5340000000e-04 -6.0957000000e-03 -7.7290000000e-04 -1.4164000000e-03  4.3700000000e-03 -3.3496000000e-03  1.9917000000e-03  3.1303000000e-03
-
-JOB 55
-COORDS -6.1695700000e-01  1.6107910000e+00  1.2970800000e-01 -4.3935600000e-01  2.3179010000e+00 -4.9052200000e-01  7.0092000000e-02  9.6587100000e-01 -3.8444000000e-02  5.4381100000e-01 -1.5783710000e+00 -3.4875000000e-02  1.4411230000e+00 -1.5267800000e+00 -3.6411700000e-01  1.3436300000e-01 -2.2654380000e+00 -5.6072900000e-01
-ENERGY -1.526568380217e+02
-FORCES  3.3817000000e-03 -2.5688000000e-03 -2.4713000000e-03 -4.5060000000e-04 -3.0279000000e-03  2.1532000000e-03 -1.6315000000e-03  7.3717000000e-03  2.2000000000e-05  5.8990000000e-04 -5.9472000000e-03 -3.1924000000e-03 -4.5152000000e-03  1.5946000000e-03  1.1948000000e-03  2.6257000000e-03  2.5776000000e-03  2.2936000000e-03
-
-JOB 56
-COORDS -1.1526430000e+00 -6.0419100000e-01  1.1612260000e+00 -7.3541300000e-01 -7.5528200000e-01  3.1309600000e-01 -9.3703100000e-01 -1.3814460000e+00  1.6766080000e+00  1.1182700000e+00  6.1793400000e-01 -1.2021090000e+00  1.5994610000e+00  4.7189600000e-01 -3.8763900000e-01  6.0957500000e-01  1.4126310000e+00 -1.0411220000e+00
-ENERGY -1.526579566826e+02
-FORCES  1.9025000000e-03 -4.1646000000e-03 -2.7233000000e-03 -2.7124000000e-03  1.7860000000e-04  6.1876000000e-03 -3.3070000000e-04  3.2471000000e-03 -2.0942000000e-03  1.4407000000e-03  5.3160000000e-03  3.7175000000e-03 -2.5136000000e-03 -5.9900000000e-04 -3.9035000000e-03  2.2136000000e-03 -3.9782000000e-03 -1.1841000000e-03
-
-JOB 57
-COORDS  4.5720000000e-02 -1.0270890000e+00  1.4644140000e+00 -4.9204300000e-01 -7.5103700000e-01  2.2065980000e+00 -1.8240100000e-01 -4.1724700000e-01  7.6278400000e-01  2.0031000000e-02  9.2592600000e-01 -1.4416070000e+00  4.2034000000e-02  1.7921940000e+00 -1.0350010000e+00 -4.3104900000e-01  1.0632030000e+00 -2.2746210000e+00
-ENERGY -1.526577341742e+02
-FORCES -2.7628000000e-03  3.4949000000e-03 -2.3113000000e-03  2.0362000000e-03 -6.6070000000e-04 -2.8928000000e-03  4.7820000000e-04 -3.0122000000e-03  7.4538000000e-03 -1.0779000000e-03  4.6713000000e-03 -5.0352000000e-03 -8.8290000000e-04 -4.6243000000e-03 -8.4890000000e-04  2.2092000000e-03  1.3100000000e-04  3.6344000000e-03
-
-JOB 58
-COORDS  9.6391100000e-01  9.4066500000e-01 -1.1173390000e+00  1.6976900000e+00  1.1745860000e+00 -1.6857410000e+00  4.6161800000e-01  3.0267300000e-01 -1.6241910000e+00 -1.0088120000e+00 -9.6520300000e-01  1.1494930000e+00 -1.3353800000e+00 -2.4403100000e-01  1.6875420000e+00 -6.3778000000e-02 -8.2058200000e-01  1.1022950000e+00
-ENERGY -1.526573223361e+02
-FORCES  2.7360000000e-04 -1.0277000000e-03 -5.5866000000e-03 -3.1823000000e-03 -1.1058000000e-03  2.3214000000e-03  3.4343000000e-03  2.8848000000e-03  1.9966000000e-03  3.4019000000e-03  5.0034000000e-03  2.0254000000e-03  7.5930000000e-04 -3.2656000000e-03 -1.5921000000e-03 -4.6868000000e-03 -2.4890000000e-03  8.3540000000e-04
-
-JOB 59
-COORDS -7.2209200000e-01  9.4315600000e-01  1.3347830000e+00 -1.3113320000e+00  5.1867200000e-01  7.1121100000e-01 -9.6887300000e-01  5.7840800000e-01  2.1846590000e+00  7.7829800000e-01 -9.3565700000e-01 -1.3029770000e+00  2.5660500000e-01 -1.0524690000e+00 -2.0969690000e+00  1.1650040000e+00 -6.4987000000e-02 -1.3958380000e+00
-ENERGY -1.526551298987e+02
-FORCES -2.6166000000e-03 -5.0876000000e-03  3.7200000000e-04  9.8880000000e-04  3.2281000000e-03  2.8663000000e-03  7.1810000000e-04  1.6727000000e-03 -3.1974000000e-03  1.2176000000e-03  3.7425000000e-03 -3.0121000000e-03  1.3584000000e-03  6.5180000000e-04  3.8728000000e-03 -1.6663000000e-03 -4.2075000000e-03 -9.0150000000e-04
-
-JOB 60
-COORDS  3.6253100000e-01  5.9471200000e-01 -1.6359130000e+00  6.9392000000e-02  7.1259100000e-01 -2.5394640000e+00  6.1975700000e-01  1.4714930000e+00 -1.3507420000e+00 -2.9026300000e-01 -6.5441400000e-01  1.6592980000e+00 -8.7921700000e-01 -2.3775400000e-01  1.0302030000e+00 -8.5933500000e-01 -9.1870600000e-01  2.3821660000e+00
-ENERGY -1.526553643581e+02
-FORCES  1.6277000000e-03  4.1030000000e-03 -3.5107000000e-03  1.1377000000e-03 -4.8630000000e-04  4.0046000000e-03 -1.9692000000e-03 -3.6984000000e-03 -1.3019000000e-03 -4.4170000000e-03  4.1980000000e-04 -1.4205000000e-03  1.3406000000e-03 -1.3956000000e-03  5.2346000000e-03  2.2802000000e-03  1.0575000000e-03 -3.0060000000e-03
-
-JOB 61
-COORDS -8.3102000000e-02 -1.4970070000e+00 -1.0401680000e+00 -8.6518700000e-01 -2.0423230000e+00 -9.5527800000e-01  9.5787000000e-02 -1.4786700000e+00 -1.9803240000e+00  1.3974600000e-01  1.5914520000e+00  1.0719690000e+00  2.8760200000e-01  1.1805070000e+00  1.9237290000e+00 -3.4190100000e-01  9.3471700000e-01  5.6903000000e-01
-ENERGY -1.526570134395e+02
-FORCES -1.2576000000e-03 -3.5099000000e-03 -5.1862000000e-03  3.2354000000e-03  2.9558000000e-03  5.9300000000e-05 -1.1549000000e-03 -4.8570000000e-04  4.0696000000e-03 -6.1280000000e-04 -6.1015000000e-03  2.5500000000e-05 -7.5480000000e-04  1.9552000000e-03 -2.7240000000e-03  5.4470000000e-04  5.1861000000e-03  3.7559000000e-03
-
-JOB 62
-COORDS -1.9004500000e-01 -1.8085950000e+00  5.2458400000e-01  2.3231300000e-01 -1.4705230000e+00 -2.6507000000e-01  3.9176800000e-01 -2.5053190000e+00  8.2839500000e-01  7.6114000000e-02  1.8588600000e+00 -4.8866500000e-01  1.7243200000e-01  9.0651900000e-01 -4.8729400000e-01  9.6619300000e-01  2.1899200000e+00 -6.0862300000e-01
-ENERGY -1.526525886043e+02
-FORCES  4.1168000000e-03 -3.7056000000e-03 -1.3456000000e-03 -1.7987000000e-03  1.8675000000e-03  3.7656000000e-03 -2.7600000000e-03  3.0207000000e-03 -1.4123000000e-03  3.5234000000e-03 -2.4013000000e-03  9.2750000000e-04  6.5990000000e-04  2.8307000000e-03 -2.2752000000e-03 -3.7412000000e-03 -1.6120000000e-03  3.3990000000e-04
-
-JOB 63
-COORDS -4.9294900000e-01 -1.3409420000e+00 -1.1500380000e+00  2.4885400000e-01 -1.9419540000e+00 -1.2189190000e+00 -1.2418400000e+00 -1.8469210000e+00 -1.4652820000e+00  4.8808900000e-01  1.4783070000e+00  1.1985700000e+00 -1.3442000000e-02  7.0388300000e-01  1.4534550000e+00  1.0959320000e+00  1.1614010000e+00  5.3049000000e-01
-ENERGY -1.526559951391e+02
-FORCES -1.1423000000e-03 -5.0488000000e-03 -2.9462000000e-03 -2.8854000000e-03  3.0640000000e-03  8.0340000000e-04  3.3832000000e-03  1.8786000000e-03  1.3976000000e-03 -8.9700000000e-04 -5.5827000000e-03 -3.5416000000e-03  2.3970000000e-03  3.7619000000e-03  9.5310000000e-04 -8.5560000000e-04  1.9270000000e-03  3.3337000000e-03
-
-JOB 64
-COORDS -7.6727800000e-01 -1.7632450000e+00  3.3999800000e-01 -8.3745300000e-01 -2.6789480000e+00  6.0980400000e-01 -1.4781080000e+00 -1.3211320000e+00  8.0420500000e-01  8.0524000000e-01  1.8573740000e+00 -3.6598800000e-01  1.1523970000e+00  1.1320250000e+00  1.5322500000e-01  5.4102700000e-01  1.4552850000e+00 -1.1934830000e+00
-ENERGY -1.526565686559e+02
-FORCES -3.9598000000e-03 -2.5965000000e-03  3.1590000000e-03  1.9150000000e-04  3.8803000000e-03 -1.0298000000e-03  3.1846000000e-03 -2.1790000000e-03 -1.9377000000e-03  2.7920000000e-04 -6.0212000000e-03 -1.3884000000e-03 -7.7370000000e-04  4.2806000000e-03 -1.6494000000e-03  1.0782000000e-03  2.6358000000e-03  2.8463000000e-03
-
-JOB 65
-COORDS -9.6740400000e-01  1.5487730000e+00  7.5115800000e-01 -7.4881800000e-01  2.4556400000e+00  5.3657900000e-01 -1.9194180000e+00  1.5484770000e+00  8.5066000000e-01  9.7286700000e-01 -1.5707110000e+00 -7.9174900000e-01  8.6838700000e-01 -2.4746670000e+00 -4.9480100000e-01  1.6683820000e+00 -1.2152240000e+00 -2.3846900000e-01
-ENERGY -1.526534202555e+02
-FORCES -3.4049000000e-03  3.1885000000e-03 -1.3635000000e-03 -6.4790000000e-04 -3.7035000000e-03  1.0993000000e-03  3.8413000000e-03  2.1130000000e-04 -7.4200000000e-05  1.8187000000e-03 -1.0454000000e-03  4.4265000000e-03  3.3430000000e-04  3.4475000000e-03 -1.3682000000e-03 -1.9414000000e-03 -2.0983000000e-03 -2.7200000000e-03
-
-JOB 66
-COORDS -1.7764740000e+00 -5.7884000000e-02  1.1349070000e+00 -2.3003730000e+00  6.8066800000e-01  1.4452330000e+00 -1.0216170000e+00 -8.0579000000e-02  1.7230460000e+00  1.8229850000e+00  3.3103000000e-02 -1.1704780000e+00  1.4490900000e+00 -8.1563500000e-01 -1.4072870000e+00  1.0865970000e+00  6.4247300000e-01 -1.2217740000e+00
-ENERGY -1.526558949528e+02
-FORCES  5.7450000000e-04  2.6045000000e-03  4.6327000000e-03  2.3087000000e-03 -2.9546000000e-03 -1.4404000000e-03 -3.5057000000e-03  2.3280000000e-04 -2.6937000000e-03 -5.4215000000e-03 -1.1663000000e-03 -1.4975000000e-03  2.1577000000e-03  3.2483000000e-03  8.7770000000e-04  3.8863000000e-03 -1.9647000000e-03  1.2130000000e-04
-
-JOB 67
-COORDS  8.1540500000e-01  2.0383180000e+00 -7.5570300000e-01  5.9801000000e-02  1.6041490000e+00 -3.5973300000e-01  1.2413620000e+00  1.3545800000e+00 -1.2727090000e+00 -7.7810700000e-01 -1.9081070000e+00  7.6655400000e-01 -7.9480900000e-01 -2.4965590000e+00  1.1785000000e-02 -1.0962970000e+00 -2.4422210000e+00  1.4943660000e+00
-ENERGY -1.526555918034e+02
-FORCES -1.5831000000e-03 -5.4135000000e-03  3.7420000000e-04  3.0804000000e-03  2.9209000000e-03 -2.2483000000e-03 -1.4206000000e-03  2.9822000000e-03  1.4514000000e-03 -1.5352000000e-03 -5.2836000000e-03  6.6370000000e-04  1.9520000000e-04  2.7485000000e-03  2.9499000000e-03  1.2633000000e-03  2.0456000000e-03 -3.1910000000e-03
-
-JOB 68
-COORDS -3.7620000000e-01  2.2323040000e+00  6.5668000000e-01 -5.6381800000e-01  3.0866880000e+00  2.6801600000e-01  4.2149700000e-01  1.9384640000e+00  2.1671400000e-01  3.1228500000e-01 -2.3230900000e+00 -5.7997300000e-01  7.8629400000e-01 -2.2949230000e+00 -1.4110890000e+00  3.3678200000e-01 -1.4216220000e+00 -2.5905600000e-01
-ENERGY -1.526537402815e+02
-FORCES  2.1732000000e-03  3.4671000000e-03 -3.1407000000e-03  9.1510000000e-04 -3.6199000000e-03  1.6520000000e-03 -3.4771000000e-03 -1.4000000000e-06  1.6078000000e-03  1.3696000000e-03  3.7383000000e-03 -1.7616000000e-03 -1.8216000000e-03  9.3700000000e-05  3.4394000000e-03  8.4080000000e-04 -3.6777000000e-03 -1.7969000000e-03
-
-JOB 69
-COORDS  1.0303530000e+00  2.2785120000e+00 -4.6676300000e-01  5.0008200000e-01  2.0204710000e+00  2.8719900000e-01  7.3931700000e-01  1.7021390000e+00 -1.1733920000e+00 -9.3759300000e-01 -2.2857660000e+00  4.6264300000e-01 -8.0234400000e-01 -1.3742030000e+00  7.2147100000e-01 -1.8754560000e+00 -2.3471310000e+00  2.8131400000e-01
-ENERGY -1.526533297844e+02
-FORCES -2.8574000000e-03 -3.1320000000e-03 -1.7880000000e-04  1.8474000000e-03  5.1820000000e-04 -3.0710000000e-03  9.0150000000e-04  2.4627000000e-03  3.3461000000e-03 -3.5130000000e-03  2.8072000000e-03  7.1890000000e-04 -4.4810000000e-04 -3.1235000000e-03 -1.4963000000e-03  4.0695000000e-03  4.6730000000e-04  6.8110000000e-04
-
-JOB 70
-COORDS  8.0480000000e-01 -1.7813090000e+00 -1.5362830000e+00  1.0887250000e+00 -2.6915150000e+00 -1.4517620000e+00  1.8027000000e-02 -1.8248170000e+00 -2.0797240000e+00 -7.9402200000e-01  1.8916100000e+00  1.5300120000e+00 -5.4051100000e-01  1.0444370000e+00  1.1635950000e+00 -7.5389800000e-01  1.7647850000e+00  2.4779240000e+00
-ENERGY -1.526550878647e+02
-FORCES -1.6896000000e-03 -4.1718000000e-03 -2.6405000000e-03 -1.2690000000e-03  3.7825000000e-03 -2.5310000000e-04  3.2067000000e-03  1.6520000000e-04  2.5725000000e-03  1.7463000000e-03 -4.2483000000e-03  1.9350000000e-03 -1.7246000000e-03  3.9088000000e-03  2.0596000000e-03 -2.6980000000e-04  5.6350000000e-04 -3.6735000000e-03
-
-JOB 71
-COORDS -4.6272900000e-01 -1.4068690000e+00 -2.1949630000e+00 -1.9899600000e-01 -1.1761440000e+00 -1.3042090000e+00  3.2275000000e-01 -1.2628750000e+00 -2.7227130000e+00  3.5601300000e-01  1.3572970000e+00  2.2102960000e+00  7.5228800000e-01  2.2071060000e+00  2.4027070000e+00  8.4353900000e-01  1.0308860000e+00  1.4539840000e+00
-ENERGY -1.526534222799e+02
-FORCES  3.8693000000e-03  1.2277000000e-03  1.4720000000e-03 -5.1040000000e-04 -6.1540000000e-04 -3.7300000000e-03 -3.1663000000e-03 -4.3100000000e-04  2.3614000000e-03  3.6230000000e-03  2.7419000000e-03 -1.8965000000e-03 -1.6008000000e-03 -3.6266000000e-03 -8.1400000000e-04 -2.2147000000e-03  7.0350000000e-04  2.6070000000e-03
-
-JOB 72
-COORDS  4.6897900000e-01  2.1338870000e+00  1.5518320000e+00  4.7231000000e-02  1.3081670000e+00  1.3140360000e+00  1.9875000000e-02  2.7936550000e+00  1.0233980000e+00 -4.2382900000e-01 -2.0648450000e+00 -1.4728480000e+00 -7.7879600000e-01 -2.9238130000e+00 -1.2439280000e+00  6.4619000000e-02 -2.2149690000e+00 -2.2822380000e+00
-ENERGY -1.526551282438e+02
-FORCES -3.5604000000e-03 -1.2751000000e-03 -3.5500000000e-03  1.6776000000e-03  3.9180000000e-03  1.5937000000e-03  1.8221000000e-03 -2.3574000000e-03  2.2168000000e-03  7.7350000000e-04 -4.4277000000e-03 -2.6257000000e-03  1.4186000000e-03  3.5819000000e-03 -9.2980000000e-04 -2.1315000000e-03  5.6010000000e-04  3.2949000000e-03
-
-JOB 73
-COORDS -9.6880000000e-01 -1.2006890000e+00  2.2216530000e+00 -3.0988000000e-02 -1.3307560000e+00  2.3624480000e+00 -1.1870280000e+00 -1.7897880000e+00  1.4994540000e+00  9.3087600000e-01  1.1755870000e+00 -2.1779870000e+00  1.6490790000e+00  1.8041200000e+00 -2.2512120000e+00  1.4025100000e-01  1.6976330000e+00 -2.3144100000e+00
-ENERGY -1.526545456508e+02
-FORCES  3.2969000000e-03 -2.7104000000e-03 -2.9598000000e-03 -3.8424000000e-03  3.7680000000e-04 -1.4630000000e-04  5.7890000000e-04  2.1793000000e-03  3.1873000000e-03 -4.8410000000e-04  4.9391000000e-03 -6.7590000000e-04 -2.8589000000e-03 -2.6139000000e-03  2.6720000000e-04  3.3096000000e-03 -2.1709000000e-03  3.2750000000e-04
-
-JOB 74
-COORDS -1.2917820000e+00 -2.3312340000e+00  5.4877400000e-01 -1.0728360000e+00 -3.1644990000e+00  9.6586300000e-01 -1.6772950000e+00 -2.5776870000e+00 -2.9198300000e-01  1.2990250000e+00  2.3264950000e+00 -5.6480000000e-01  1.3810670000e+00  3.2259180000e+00 -8.8187600000e-01  1.2363390000e+00  2.4121720000e+00  3.8649500000e-01
-ENERGY -1.526539181539e+02
-FORCES -4.5260000000e-04 -4.2015000000e-03 -2.1688000000e-03 -9.2300000000e-04  3.4056000000e-03 -1.5775000000e-03  1.3767000000e-03  7.7990000000e-04  3.5767000000e-03 -2.0970000000e-04  3.6266000000e-03  2.9324000000e-03 -3.1780000000e-04 -3.6579000000e-03  1.1864000000e-03  5.2630000000e-04  4.7300000000e-05 -3.9491000000e-03
-
-JOB 75
-COORDS  4.6902700000e-01  1.8834610000e+00 -2.0451330000e+00  3.0656100000e-01  2.3380220000e+00 -1.2185670000e+00  2.6042500000e-01  2.5298960000e+00 -2.7195500000e+00 -4.9882900000e-01 -1.9591470000e+00  1.9938820000e+00 -3.8944200000e-01 -2.1662330000e+00  2.9219890000e+00  2.6971000000e-01 -1.4329540000e+00  1.7731990000e+00
-ENERGY -1.526540537667e+02
-FORCES -1.8920000000e-03  4.4773000000e-03  3.9030000000e-04  9.4810000000e-04 -1.9302000000e-03 -3.2238000000e-03  9.2600000000e-04 -2.5829000000e-03  2.7769000000e-03  3.7522000000e-03  1.1560000000e-03  2.5024000000e-03 -4.9670000000e-04  9.0490000000e-04 -3.7542000000e-03 -3.2377000000e-03 -2.0251000000e-03  1.3084000000e-03
-
-JOB 76
-COORDS -1.9127490000e+00 -1.9932740000e+00 -1.0638070000e+00 -1.7731190000e+00 -2.6099650000e+00 -3.4517800000e-01 -1.8781000000e+00 -1.1308050000e+00 -6.5007000000e-01  1.8799360000e+00  1.9272730000e+00  9.9571400000e-01  1.6729380000e+00  2.7046240000e+00  4.7695700000e-01  2.5453440000e+00  2.2234320000e+00  1.6168060000e+00
-ENERGY -1.526545484721e+02
-FORCES  1.2563000000e-03  1.2285000000e-03  4.8056000000e-03 -7.8410000000e-04  2.2867000000e-03 -2.9441000000e-03 -6.2360000000e-04 -3.5641000000e-03 -1.8664000000e-03  2.2332000000e-03  4.4544000000e-03  3.1020000000e-04  6.8960000000e-04 -3.2146000000e-03  2.2098000000e-03 -2.7714000000e-03 -1.1908000000e-03 -2.5151000000e-03
-
-JOB 77
-COORDS -7.2331800000e-01 -1.4308490000e+00  2.4352060000e+00 -5.5576500000e-01 -7.4855800000e-01  3.0853110000e+00 -1.6651240000e+00 -1.5916400000e+00  2.4933390000e+00  7.1052900000e-01  1.3777610000e+00 -2.4587250000e+00  1.4529470000e+00  9.2782500000e-01 -2.8619680000e+00  1.0052770000e+00  2.2826450000e+00 -2.3560540000e+00
-ENERGY -1.526537366177e+02
-FORCES -3.2527000000e-03  2.4130000000e-03  2.4334000000e-03 -6.2200000000e-04 -2.8490000000e-03 -2.4571000000e-03  3.8287000000e-03  5.2970000000e-04 -4.0800000000e-05  4.3261000000e-03  1.5115000000e-03 -9.7340000000e-04 -3.0187000000e-03  1.9872000000e-03  1.4641000000e-03 -1.2615000000e-03 -3.5923000000e-03 -4.2620000000e-04
-
-JOB 78
-COORDS -1.8476980000e+00 -2.3236130000e+00  4.3655700000e-01 -2.4296070000e+00 -2.5482150000e+00 -2.8950600000e-01 -1.2493340000e+00 -3.0677250000e+00  5.0356300000e-01  1.8334180000e+00  2.3175280000e+00 -3.7010900000e-01  1.5239000000e+00  3.1518280000e+00 -1.7442000000e-02  2.3660990000e+00  2.5599820000e+00 -1.1275390000e+00
-ENERGY -1.526536457556e+02
-FORCES  4.7360000000e-04 -3.6831000000e-03 -2.8005000000e-03  2.2433000000e-03  8.6120000000e-04  2.9814000000e-03 -2.6036000000e-03  2.8536000000e-03 -2.2740000000e-04  6.0910000000e-04  4.3287000000e-03 -1.5149000000e-03  1.3994000000e-03 -3.3177000000e-03 -1.4920000000e-03 -2.1218000000e-03 -1.0428000000e-03  3.0535000000e-03
-
-JOB 79
-COORDS -2.7933000000e-02  2.0080900000e+00 -2.3591700000e+00  4.3398600000e-01  2.5948700000e+00 -1.7603780000e+00  2.2587000000e-01  1.1292280000e+00 -2.0773590000e+00 -3.3860000000e-03 -1.9428060000e+00  2.3520140000e+00  3.5725600000e-01 -2.8244700000e+00  2.4460240000e+00 -4.9462900000e-01 -1.9707460000e+00  1.5309590000e+00
-ENERGY -1.526541924705e+02
-FORCES  3.0743000000e-03 -9.7110000000e-04  3.7562000000e-03 -1.9100000000e-03 -2.3874000000e-03 -2.5827000000e-03 -1.2280000000e-03  3.3417000000e-03 -1.2335000000e-03 -8.0640000000e-04 -4.0105000000e-03 -2.6111000000e-03 -1.4386000000e-03  3.6900000000e-03 -4.7370000000e-04  2.3087000000e-03  3.3740000000e-04  3.1448000000e-03
-
-JOB 80
-COORDS -4.2950000000e-01  1.8307300000e+00  2.4355420000e+00  9.0335000000e-02  2.3003450000e+00  3.0878200000e+00  1.7939900000e-01  1.1990080000e+00  2.0529190000e+00  3.2979800000e-01 -1.8440910000e+00 -2.4059350000e+00  3.4747500000e-01 -2.0255620000e+00 -3.3456090000e+00  1.1035900000e+00 -1.3021970000e+00 -2.2515670000e+00
-ENERGY -1.526539107006e+02
-FORCES  4.4137000000e-03 -9.3100000000e-04  1.0729000000e-03 -2.0911000000e-03 -1.8770000000e-03 -2.7010000000e-03 -2.2445000000e-03  2.8091000000e-03  1.5891000000e-03  3.0111000000e-03  1.4787000000e-03 -3.4854000000e-03  2.0000000000e-07  7.1400000000e-04  3.8675000000e-03 -3.0895000000e-03 -2.1939000000e-03 -3.4310000000e-04
-
-JOB 81
-COORDS  1.9440110000e+00  2.4689170000e+00  6.6380200000e-01  2.8969560000e+00  2.5461630000e+00  6.1731300000e-01  1.6792510000e+00  2.2271730000e+00 -2.2371900000e-01 -1.9902050000e+00 -2.5168560000e+00 -5.9509000000e-01 -1.4068500000e+00 -2.1798790000e+00 -1.2750720000e+00 -2.4034540000e+00 -1.7367140000e+00 -2.2517700000e-01
-ENERGY -1.526539559921e+02
-FORCES  3.0998000000e-03 -5.6180000000e-04 -3.6642000000e-03 -3.9583000000e-03 -3.0870000000e-04  1.2930000000e-04  8.3470000000e-04  8.3010000000e-04  3.5790000000e-03  6.7520000000e-04  4.5860000000e-03 -9.9530000000e-04 -2.3095000000e-03 -1.3211000000e-03  2.6500000000e-03  1.6581000000e-03 -3.2245000000e-03 -1.6989000000e-03
-
-JOB 82
-COORDS -4.1834000000e-02 -3.8629000000e+00  6.5279500000e-01  7.9194300000e-01 -3.6366670000e+00  2.4064800000e-01 -5.8379200000e-01 -3.0816350000e+00  5.4261900000e-01  3.6313000000e-02  3.8554930000e+00 -6.5955700000e-01 -8.0447300000e-01  3.4462830000e+00 -4.5496600000e-01  6.8280400000e-01  3.3163360000e+00 -2.0393500000e-01
-ENERGY -1.526538334164e+02
-FORCES  1.1948000000e-03  3.9055000000e-03 -2.2287000000e-03 -3.4487000000e-03 -8.1070000000e-04  1.7476000000e-03  2.2515000000e-03 -3.0441000000e-03  5.0840000000e-04 -8.1170000000e-04 -3.6120000000e-03  2.7703000000e-03  3.5024000000e-03  1.5187000000e-03 -8.6810000000e-04 -2.6884000000e-03  2.0426000000e-03 -1.9295000000e-03
-
-JOB 83
-COORDS  5.6492900000e-01  3.2585480000e+00  2.2456620000e+00  8.7255600000e-01  2.5930030000e+00  1.6303190000e+00  4.3871000000e-02  3.8574010000e+00  1.7107740000e+00 -5.8444400000e-01 -3.2469880000e+00 -2.2456780000e+00 -3.0990900000e-01 -2.5549100000e+00 -1.6441050000e+00 -3.4011900000e-01 -4.0600800000e+00 -1.8036170000e+00
-ENERGY -1.526539795793e+02
-FORCES -8.7500000000e-04 -6.9900000000e-05 -4.6934000000e-03 -1.2794000000e-03  2.5429000000e-03  2.5141000000e-03  2.1473000000e-03 -2.5137000000e-03  2.1923000000e-03  2.0692000000e-03 -6.7850000000e-04  4.2800000000e-03 -1.0805000000e-03 -2.6542000000e-03 -2.4741000000e-03 -9.8140000000e-04  3.3735000000e-03 -1.8190000000e-03
-
-JOB 84
-COORDS -4.6909200000e-01 -2.2013130000e+00  5.6056270000e+00 -1.2236200000e+00 -1.6134520000e+00  5.5690460000e+00  2.8780800000e-01 -1.6174870000e+00  5.6554480000e+00  4.6411100000e-01  2.2004780000e+00 -5.5926290000e+00  7.7161000000e-02  1.7426220000e+00 -6.3388660000e+00  9.3804500000e-01  1.5207380000e+00 -5.1134920000e+00
-ENERGY -1.526541198066e+02
-FORCES -2.2000000000e-06  4.8001000000e-03  8.0200000000e-05  3.0806000000e-03 -2.4099000000e-03  1.4130000000e-04 -3.0787000000e-03 -2.3945000000e-03 -2.1650000000e-04  3.5550000000e-04 -4.6597000000e-03 -1.1138000000e-03  1.5770000000e-03  1.8749000000e-03  3.0468000000e-03 -1.9321000000e-03  2.7891000000e-03 -1.9379000000e-03
-
-JOB 85
-COORDS  3.8558440000e+00  6.9839630000e+00  1.5128950000e+00  3.2856140000e+00  7.5122690000e+00  9.5435900000e-01  4.7401230000e+00  7.2891390000e+00  1.3100410000e+00 -3.8519960000e+00 -7.0102940000e+00 -1.5327930000e+00 -3.5229590000e+00 -7.6917880000e+00 -9.4667600000e-01 -4.5700810000e+00 -6.6031540000e+00 -1.0482090000e+00
-ENERGY -1.526540787905e+02
-FORCES  1.2812000000e-03  3.3892000000e-03 -3.1215000000e-03  2.3254000000e-03 -2.1487000000e-03  2.2859000000e-03 -3.6061000000e-03 -1.2402000000e-03  8.3410000000e-04 -1.5721000000e-03 -1.1017000000e-03  4.3814000000e-03 -1.3482000000e-03  2.7702000000e-03 -2.3966000000e-03  2.9199000000e-03 -1.6689000000e-03 -1.9834000000e-03
-
-JOB 86
-COORDS -5.9124480000e+00  3.9891440000e+00 -5.0342580000e+00 -5.8837050000e+00  4.9458980000e+00 -5.0395200000e+00 -6.2017900000e+00  3.7528910000e+00 -5.9155620000e+00  5.9106050000e+00 -3.9674450000e+00  5.0978250000e+00  6.7641660000e+00 -4.2882660000e+00  4.8067240000e+00  5.3695360000e+00 -4.7539890000e+00  5.1672870000e+00
-ENERGY -1.526540603549e+02
-FORCES -1.0526000000e-03  2.9434000000e-03 -3.6070000000e-03 -1.2310000000e-04 -3.9040000000e-03  1.5500000000e-05  1.1770000000e-03  9.6110000000e-04  3.5926000000e-03  1.2569000000e-03 -4.5125000000e-03 -9.1680000000e-04 -3.4753000000e-03  1.3079000000e-03  1.1923000000e-03  2.2171000000e-03  3.2041000000e-03 -2.7660000000e-04
-
-JOB 87
-COORDS -8.4332510000e+00  2.0356950000e+00 -1.7491080000e+00 -7.6093730000e+00  2.4925900000e+00 -1.5796820000e+00 -8.8983430000e+00  2.0614930000e+00 -9.1289300000e-01  8.4208590000e+00 -2.0504900000e+00  1.7610750000e+00  7.6303470000e+00 -2.2296070000e+00  1.2519200000e+00  9.1287660000e+00 -2.0610850000e+00  1.1168790000e+00
-ENERGY -1.526540841295e+02
-FORCES  1.4548000000e-03  1.9742000000e-03  4.1091000000e-03 -3.3552000000e-03 -1.8676000000e-03 -6.9650000000e-04  1.8996000000e-03 -1.0690000000e-04 -3.4135000000e-03 -3.2870000000e-04 -7.8440000000e-04 -4.7088000000e-03  3.2194000000e-03  7.3750000000e-04  2.0808000000e-03 -2.8900000000e-03  4.7200000000e-05  2.6290000000e-03
-
-JOB 88
-COORDS  6.9673470000e+00 -4.0662280000e+00  5.7417880000e+00  7.6380960000e+00 -4.1594420000e+00  6.4182770000e+00  6.6660300000e+00 -4.9598510000e+00  5.5778450000e+00 -6.9829840000e+00  4.1391730000e+00 -5.7006850000e+00 -6.8330730000e+00  3.2604310000e+00 -6.0493550000e+00 -7.1874520000e+00  4.6709140000e+00 -6.4698900000e+00
-ENERGY -1.526540632552e+02
-FORCES  1.5003000000e-03 -4.0201000000e-03  2.0940000000e-03 -2.7338000000e-03  3.7780000000e-04 -2.7612000000e-03  1.2326000000e-03  3.6429000000e-03  6.6710000000e-04 -2.0970000000e-04 -1.4167000000e-03 -4.5545000000e-03 -6.1860000000e-04  3.5850000000e-03  1.4184000000e-03  8.2920000000e-04 -2.1689000000e-03  3.1362000000e-03
-
-JOB 89
-COORDS -1.2178765000e+01 -1.9926320000e+00 -5.4365160000e+00 -1.2633656000e+01 -2.0726420000e+00 -4.5981220000e+00 -1.1403228000e+01 -2.5457470000e+00 -5.3425090000e+00  1.2139325000e+01  2.0330320000e+00  5.4460410000e+00  1.1816655000e+01  2.5134090000e+00  4.6835750000e+00  1.2832035000e+01  1.4704800000e+00  5.0997460000e+00
-ENERGY -1.526540766313e+02
-FORCES  1.3060000000e-03 -2.5824000000e-03  3.8056000000e-03  1.8562000000e-03  3.2610000000e-04 -3.4208000000e-03 -3.1623000000e-03  2.2563000000e-03 -3.8490000000e-04  1.5130000000e-03 -3.3190000000e-04 -4.5226000000e-03  1.3144000000e-03 -1.9614000000e-03  3.1103000000e-03 -2.8273000000e-03  2.2932000000e-03  1.4125000000e-03
-
-JOB 0
-COORDS -8.7864300000e-01 -7.8408700000e-01 -5.0366300000e-01 -5.3942000000e-02 -3.3318300000e-01 -3.2259500000e-01 -7.3483000000e-01 -1.6795250000e+00 -1.9749400000e-01  8.4541000000e-01  7.5315600000e-01  4.8146900000e-01  9.1239900000e-01  1.3385700000e+00 -2.7287400000e-01  3.3117300000e-01  1.2447810000e+00  1.1218570000e+00
-ENERGY -1.526538578125e+02
-FORCES  1.8892900000e-02  1.3508100000e-02  1.1623800000e-02 -3.4872000000e-03 -1.1241000000e-03 -8.3280000000e-03  1.0780000000e-03  3.4836000000e-03  5.0720000000e-04 -1.7293400000e-02 -8.0096000000e-03 -3.2197000000e-03 -3.3504000000e-03 -6.9786000000e-03  2.9193000000e-03  4.1602000000e-03 -8.7940000000e-04 -3.5026000000e-03
-
-JOB 1
-COORDS -1.1146080000e+00  6.7256400000e-01 -1.6554000000e-02 -1.8766570000e+00  1.9844400000e-01  3.1619700000e-01 -3.7071400000e-01  1.0706600000e-01  1.9096800000e-01  1.0704200000e+00 -5.7999200000e-01  2.3216000000e-02  2.0128250000e+00 -4.3239000000e-01 -5.6278000000e-02  9.2307500000e-01 -1.4246850000e+00 -4.0224200000e-01
-ENERGY -1.526544876044e+02
-FORCES  1.8723200000e-02 -7.9382000000e-03  1.4714000000e-03  4.8414000000e-03 -1.4127000000e-03 -1.2141000000e-03 -7.1263000000e-03 -2.6493000000e-03 -5.5970000000e-04 -1.2571900000e-02  1.0672000000e-02 -1.7272000000e-03 -4.1671000000e-03 -3.3747000000e-03 -1.0862000000e-03  3.0070000000e-04  4.7028000000e-03  3.1158000000e-03
-
-JOB 2
-COORDS -4.1328600000e-01  9.7889400000e-01  8.4040300000e-01 -7.7960000000e-02  5.8026800000e-01  1.6434510000e+00 -1.2907500000e-01  3.8851700000e-01  1.4261300000e-01  3.5113000000e-01 -8.8567500000e-01 -8.0474800000e-01  6.5627100000e-01 -6.5901900000e-01 -1.6832400000e+00  5.3156900000e-01 -1.8220810000e+00 -7.2218200000e-01
-ENERGY -1.526569231319e+02
-FORCES  6.8907000000e-03 -1.6033400000e-02 -9.7846000000e-03 -1.0355000000e-03  5.0240000000e-04 -1.6021000000e-03 -1.0821000000e-03  6.3472000000e-03 -1.5700000000e-05 -3.4006000000e-03  6.4284000000e-03  8.7304000000e-03 -1.6892000000e-03 -1.7420000000e-03  5.0580000000e-03  3.1670000000e-04  4.4974000000e-03 -2.3860000000e-03
-
-JOB 3
-COORDS  1.1723040000e+00 -4.1311800000e-01 -5.4303200000e-01  1.8675590000e+00 -3.8676100000e-01  1.1435600000e-01  3.6660400000e-01 -2.7142200000e-01 -4.6040000000e-02 -1.1508560000e+00  3.5283800000e-01  4.4657600000e-01 -7.2931900000e-01  1.2121420000e+00  4.3496600000e-01 -1.8868040000e+00  4.5468900000e-01  1.0500980000e+00
-ENERGY -1.526572771338e+02
-FORCES -1.1626300000e-02 -3.3500000000e-04  7.0196000000e-03 -3.4716000000e-03  1.1116000000e-03 -1.1314000000e-03  6.8768000000e-03  6.3629000000e-03 -2.8390000000e-03  4.4134000000e-03 -1.4461000000e-03 -1.1837000000e-03  8.0000000000e-06 -7.6446000000e-03  1.3878000000e-03  3.7998000000e-03  1.9512000000e-03 -3.2531000000e-03
-
-JOB 4
-COORDS -1.0010830000e+00  3.2624300000e-01  8.8633300000e-01 -1.9154700000e-01  7.9430000000e-03  4.8687300000e-01 -1.6971810000e+00 -1.3394400000e-01  4.1739200000e-01  1.0020280000e+00 -3.4247100000e-01 -8.0915900000e-01  8.1564700000e-01 -1.2159000000e-01 -1.7216860000e+00  1.1525700000e+00  5.0172300000e-01 -3.8382900000e-01
-ENERGY -1.526534315656e+02
-FORCES  7.0681000000e-03 -9.5200000000e-03 -1.1998600000e-02  5.5467000000e-03  1.0388100000e-02  3.5607000000e-03  9.2320000000e-04  2.0465000000e-03  1.5070000000e-03 -6.6698000000e-03  6.4495000000e-03 -1.0126000000e-03  1.4738000000e-03 -1.2112000000e-03  4.4519000000e-03 -8.3421000000e-03 -8.1529000000e-03  3.4916000000e-03
-
-JOB 5
-COORDS  4.7623500000e-01  1.5511100000e-01 -1.2765490000e+00 -2.5637500000e-01  3.5250600000e-01 -1.8601150000e+00  6.4655000000e-02 -1.7477600000e-01 -4.7779500000e-01 -4.3875700000e-01 -1.9326900000e-01  1.2236550000e+00 -6.0394900000e-01  7.4530700000e-01  1.3132020000e+00  2.3548900000e-01 -3.8163000000e-01  1.8764510000e+00
-ENERGY -1.526599376050e+02
-FORCES -6.5243000000e-03 -4.4442000000e-03  1.3207500000e-02  1.2320000000e-03 -5.0700000000e-05  3.6925000000e-03  2.4752000000e-03  3.6318000000e-03 -9.6648000000e-03  5.5611000000e-03  4.3659000000e-03 -2.9278000000e-03  8.4810000000e-04 -5.3952000000e-03 -1.2462000000e-03 -3.5921000000e-03  1.8924000000e-03 -3.0612000000e-03
-
-JOB 6
-COORDS -8.3689700000e-01  2.5997400000e-01  1.0637090000e+00 -2.3956800000e-01  2.3751200000e-01  3.1609600000e-01 -1.2178150000e+00  1.1378030000e+00  1.0402540000e+00  8.4759800000e-01 -2.5155500000e-01 -9.9417600000e-01  2.3761200000e-01 -3.8422800000e-01 -1.7198120000e+00  1.0866730000e+00 -1.1359640000e+00 -7.1687300000e-01
-ENERGY -1.526604971393e+02
-FORCES  1.0334200000e-02  4.1300000000e-05 -1.1361800000e-02 -8.6552000000e-03  4.7880000000e-04  7.5808000000e-03  1.8002000000e-03 -2.6257000000e-03 -1.9108000000e-03 -3.4365000000e-03 -4.3874000000e-03  1.9927000000e-03  2.3381000000e-03  1.2187000000e-03  5.2948000000e-03 -2.3807000000e-03  5.2744000000e-03 -1.5958000000e-03
-
-JOB 7
-COORDS -9.3575300000e-01 -6.3712600000e-01  6.2833200000e-01 -1.2314420000e+00 -2.9624800000e-01  1.4724900000e+00 -1.7187290000e+00 -1.0267780000e+00  2.3929500000e-01  1.0658900000e+00  6.2169000000e-01 -6.5776800000e-01  2.9825200000e-01  1.1550300000e-01 -3.9179900000e-01  7.1450700000e-01  1.4752460000e+00 -9.1115200000e-01
-ENERGY -1.526595060937e+02
-FORCES  3.0266000000e-03  4.1136000000e-03  5.8300000000e-04 -6.2890000000e-04 -2.5496000000e-03 -4.5060000000e-03  3.9098000000e-03  3.0503000000e-03  2.1133000000e-03 -1.2346200000e-02 -5.3153000000e-03  6.6829000000e-03  5.8416000000e-03  3.2426000000e-03 -6.1362000000e-03  1.9700000000e-04 -2.5415000000e-03  1.2630000000e-03
-
-JOB 8
-COORDS  3.1334000000e-01  1.2467810000e+00  2.2125400000e-01 -3.4225000000e-02  2.0377670000e+00  6.3328600000e-01  4.4302200000e-01  1.4907390000e+00 -6.9520600000e-01 -3.3999200000e-01 -1.3210900000e+00 -2.4125100000e-01  1.5801300000e-01 -1.9582770000e+00  2.7081800000e-01 -1.1757600000e-01 -4.7484200000e-01  1.4685600000e-01
-ENERGY -1.526610344687e+02
-FORCES -3.0041000000e-03 -2.7294000000e-03 -3.0375000000e-03  2.2092000000e-03 -2.8352000000e-03 -3.2486000000e-03 -1.0544000000e-03 -1.7400000000e-04  5.5318000000e-03  3.6161000000e-03  1.1695400000e-02  4.9541000000e-03 -1.0207000000e-03  3.1588000000e-03 -7.6140000000e-04 -7.4610000000e-04 -9.1156000000e-03 -3.4385000000e-03
-
-JOB 9
-COORDS -6.1386100000e-01 -1.1074290000e+00 -5.2185100000e-01  3.0891300000e-01 -1.3617820000e+00 -5.2684000000e-01 -9.0952900000e-01 -1.2944280000e+00  3.6912800000e-01  5.3709800000e-01  1.1753370000e+00  4.9541500000e-01  1.4841550000e+00  1.2747940000e+00  3.9833700000e-01  3.5137600000e-01  3.0067800000e-01  1.5378600000e-01
-ENERGY -1.526527327308e+02
-FORCES  4.9840000000e-04 -9.1280000000e-04  4.1981000000e-03 -3.6280000000e-03  9.9033000000e-03  2.8983000000e-03  3.7305000000e-03  3.3057000000e-03 -5.2345000000e-03 -5.0893000000e-03 -8.4120000000e-03 -6.7272000000e-03 -3.9079000000e-03 -3.1841000000e-03 -8.2340000000e-04  8.3963000000e-03 -7.0010000000e-04  5.6887000000e-03
-
-JOB 10
-COORDS  4.2814700000e-01 -1.0751010000e+00 -7.7420300000e-01  8.5335200000e-01 -1.7441350000e+00 -2.3770900000e-01  3.3827400000e-01 -3.2131300000e-01 -1.9114200000e-01 -4.0976100000e-01  1.0229890000e+00  7.3370700000e-01 -1.1475400000e-01  1.7347410000e+00  1.6571700000e-01 -1.3554280000e+00  1.1512920000e+00  8.0775400000e-01
-ENERGY -1.526597833622e+02
-FORCES -4.1426000000e-03  9.0929000000e-03  1.0402200000e-02 -1.6825000000e-03  2.6931000000e-03 -6.4700000000e-04  6.2533000000e-03 -4.2358000000e-03 -7.2498000000e-03 -4.1295000000e-03 -2.9197000000e-03 -4.4496000000e-03 -1.1210000000e-03 -6.0228000000e-03  1.9753000000e-03  4.8224000000e-03  1.3922000000e-03 -3.1200000000e-05
-
-JOB 11
-COORDS -4.7346500000e-01 -8.6868200000e-01 -9.8872900000e-01 -7.8041500000e-01 -4.6865200000e-01 -1.8023560000e+00 -4.4957000000e-01 -1.4686900000e-01 -3.6052000000e-01  4.2224100000e-01  8.0413900000e-01  9.8476100000e-01  8.6248600000e-01  8.6812300000e-01  1.8323000000e+00  1.1253590000e+00  8.9496500000e-01  3.4163800000e-01
-ENERGY -1.526584820030e+02
-FORCES -8.1890000000e-04  5.5110000000e-03  7.5472000000e-03  2.2465000000e-03  2.1800000000e-04  3.7737000000e-03  2.0505000000e-03 -1.4576000000e-03 -9.1763000000e-03  2.5749000000e-03 -4.3968000000e-03  4.1500000000e-05 -9.9300000000e-05  5.5290000000e-04 -4.4787000000e-03 -5.9538000000e-03 -4.2750000000e-04  2.2927000000e-03
-
-JOB 12
-COORDS  7.7965000000e-02 -4.2973500000e-01 -1.2797910000e+00  3.1746600000e-01  4.5186700000e-01 -9.9404800000e-01  3.1911500000e-01 -4.5569300000e-01 -2.2057520000e+00 -5.2512000000e-02  4.2429800000e-01  1.3304880000e+00 -9.0366600000e-01  4.2886600000e-01  1.7683780000e+00 -1.1319700000e-01 -2.8927200000e-01  6.9537700000e-01
-ENERGY -1.526600118008e+02
-FORCES  1.4878000000e-03  3.4770000000e-03  3.9060000000e-04 -1.3370000000e-03 -7.6126000000e-03 -9.9860000000e-04 -8.1510000000e-04  2.3917000000e-03  3.7637000000e-03 -3.5982000000e-03 -5.8175000000e-03 -3.3995000000e-03  2.9210000000e-03 -5.0370000000e-04 -1.8573000000e-03  1.3415000000e-03  8.0650000000e-03  2.1012000000e-03
-
-JOB 13
-COORDS -4.9871000000e-01 -9.8714600000e-01 -7.2763400000e-01  3.6623200000e-01 -1.1883100000e+00 -1.0849030000e+00 -1.0396110000e+00 -1.7383710000e+00 -9.7118500000e-01  5.2408300000e-01  1.0325500000e+00  8.1645900000e-01  6.4735000000e-02  3.7822300000e-01  2.9006700000e-01  2.0642800000e-01  1.8727320000e+00  4.8567000000e-01
-ENERGY -1.526601651191e+02
-FORCES  6.5040000000e-04 -3.0040000000e-04  2.2269000000e-03 -5.2395000000e-03  1.7620000000e-03  2.6280000000e-03  4.0804000000e-03  2.5664000000e-03 -5.7080000000e-04 -7.6614000000e-03 -6.1379000000e-03 -5.9764000000e-03  7.5228000000e-03  5.0019000000e-03  1.2171000000e-03  6.4720000000e-04 -2.8920000000e-03  4.7530000000e-04
-
-JOB 14
-COORDS -6.6015700000e-01  1.1748230000e+00 -3.9323900000e-01 -1.3545570000e+00  1.1392710000e+00 -1.0510950000e+00 -6.1577300000e-01  2.8517700000e-01 -4.2821000000e-02  6.8197900000e-01 -1.0775880000e+00  4.5390400000e-01  2.0715400000e-01 -1.7067060000e+00 -8.9220000000e-02  1.6028890000e+00 -1.2168800000e+00  2.3310100000e-01
-ENERGY -1.526554649562e+02
-FORCES  4.4194000000e-03 -8.1294000000e-03  3.4755000000e-03  3.3466000000e-03 -2.2806000000e-03  2.4053000000e-03 -7.5928000000e-03  2.5178000000e-03 -4.2090000000e-03  4.3007000000e-03  3.0571000000e-03 -5.0337000000e-03 -2.6650000000e-04  6.4224000000e-03  2.0994000000e-03 -4.2074000000e-03 -1.5874000000e-03  1.2624000000e-03
-
-JOB 15
-COORDS  8.0672300000e-01  1.7246300000e-01  1.0513210000e+00  3.8868700000e-01  7.1470900000e-01  1.7202350000e+00  1.6850840000e+00  5.4122800000e-01  9.5790100000e-01 -9.0820300000e-01 -2.4514200000e-01 -1.1008750000e+00 -4.6916400000e-01 -1.8296600000e-01 -2.5257600000e-01 -2.2552400000e-01 -4.0835000000e-02 -1.7399680000e+00
-ENERGY -1.526595402182e+02
-FORCES  5.7200000000e-04  2.9278000000e-03 -2.5605000000e-03  1.9441000000e-03 -2.7816000000e-03 -4.3386000000e-03 -4.2904000000e-03 -1.1212000000e-03  1.3336000000e-03  1.1668200000e-02  2.2351000000e-03  8.5280000000e-03 -7.9789000000e-03 -8.1030000000e-04 -3.7742000000e-03 -1.9150000000e-03 -4.4980000000e-04  8.1160000000e-04
-
-JOB 16
-COORDS  4.1979500000e-01  4.9501000000e-02  1.3512200000e+00  7.5460500000e-01  8.8944800000e-01  1.6652630000e+00  3.2214000000e-02  2.4911200000e-01  4.9906500000e-01 -4.5770100000e-01 -7.6274000000e-02 -1.2812970000e+00  2.5035400000e-01  2.8397900000e-01 -1.8152520000e+00 -4.4240700000e-01 -1.0156380000e+00 -1.4645790000e+00
-ENERGY -1.526607859387e+02
-FORCES -4.7242000000e-03  1.5043000000e-03 -1.0687100000e-02 -1.1222000000e-03 -2.1827000000e-03 -3.0608000000e-03  4.8001000000e-03  1.7563000000e-03  1.0105600000e-02  4.0903000000e-03 -4.7258000000e-03  1.2760000000e-04 -3.2395000000e-03 -1.5253000000e-03  3.7214000000e-03  1.9550000000e-04  5.1732000000e-03 -2.0680000000e-04
-
-JOB 17
-COORDS -3.6654100000e-01 -7.5210800000e-01 -1.1778690000e+00  1.4821200000e-01 -3.6496200000e-01 -4.6978800000e-01 -8.3924700000e-01 -1.3863000000e-02 -1.5622850000e+00  3.0569600000e-01  6.5615000000e-01  1.1526430000e+00  5.4042500000e-01  1.5639720000e+00  9.6030800000e-01  1.1225350000e+00  2.5469900000e-01  1.4490280000e+00
-ENERGY -1.526576870686e+02
-FORCES  3.1930000000e-04  9.6677000000e-03  1.0988100000e-02  2.8117000000e-03 -5.6034000000e-03 -7.0144000000e-03  1.4673000000e-03 -1.9450000000e-03  2.2120000000e-04  1.5722000000e-03  1.9823000000e-03  7.5060000000e-04 -1.3351000000e-03 -5.4369000000e-03 -1.8620000000e-04 -4.8355000000e-03  1.3353000000e-03 -4.7593000000e-03
-
-JOB 18
-COORDS -8.8953400000e-01  1.0042670000e+00  7.0695000000e-02 -9.5117200000e-01  1.9582090000e+00  2.1417000000e-02 -1.3768420000e+00  7.7281800000e-01  8.6138700000e-01  9.1885300000e-01 -1.1045450000e+00 -7.7018000000e-02  3.9423000000e-01 -3.1317400000e-01  4.4367000000e-02  1.4922370000e+00 -9.0135000000e-01 -8.1605400000e-01
-ENERGY -1.526604045614e+02
-FORCES  4.4390000000e-04  6.7320000000e-04  1.5125000000e-03 -9.8090000000e-04 -4.6061000000e-03  7.4500000000e-04  3.9729000000e-03  1.4210000000e-03 -4.1659000000e-03 -6.0136000000e-03  1.0886200000e-02 -2.8121000000e-03  3.9714000000e-03 -8.1216000000e-03  2.6709000000e-03 -1.3936000000e-03 -2.5260000000e-04  2.0495000000e-03
-
-JOB 19
-COORDS -4.8773200000e-01  1.1709510000e+00 -7.1083500000e-01 -6.8513000000e-02  1.7024830000e+00 -3.4108000000e-02 -3.2978600000e-01  2.6709500000e-01 -4.3820100000e-01  4.3556300000e-01 -1.1479190000e+00  5.9420200000e-01  1.1711100000e+00 -6.9936500000e-01  1.0113360000e+00  5.1784000000e-02 -1.6793630000e+00  1.2917070000e+00
-ENERGY -1.526593254265e+02
-FORCES  3.6350000000e-03 -9.5447000000e-03  7.5550000000e-03 -3.1280000000e-04 -1.4312000000e-03 -1.7067000000e-03 -1.4996000000e-03  7.7635000000e-03 -4.4679000000e-03  1.4780000000e-04  1.3143000000e-03  3.2250000000e-03 -4.8773000000e-03 -1.0543000000e-03 -1.8576000000e-03  2.9067000000e-03  2.9524000000e-03 -2.7478000000e-03
-
-JOB 20
-COORDS -3.7090000000e-03 -1.4229670000e+00 -2.5139700000e-01  2.1611700000e-01 -5.0136100000e-01 -1.1520000000e-01  6.9538100000e-01 -1.9043600000e+00  1.9105600000e-01 -9.2849000000e-02  1.3486870000e+00  2.2433100000e-01  5.2142800000e-01  1.6377540000e+00  8.9911800000e-01  8.8228000000e-02  1.9169330000e+00 -5.2436100000e-01
-ENERGY -1.526597926556e+02
-FORCES  6.3970000000e-04  1.0482700000e-02  2.8166000000e-03  3.1058000000e-03 -1.0704800000e-02 -1.7721000000e-03 -1.8593000000e-03  3.1863000000e-03 -7.2850000000e-04  6.2430000000e-04  3.2704000000e-03 -3.7230000000e-04 -2.3228000000e-03 -2.9047000000e-03 -4.3023000000e-03 -1.8770000000e-04 -3.3301000000e-03  4.3585000000e-03
-
-JOB 21
-COORDS  1.4054180000e+00 -2.1712400000e-01 -1.3345700000e-01  2.0536110000e+00  1.1584400000e-01  4.8719500000e-01  7.8217800000e-01  5.0176500000e-01 -2.3835100000e-01 -1.3462350000e+00  1.3859400000e-01  1.1073800000e-01 -2.1310630000e+00 -4.0906600000e-01  1.2929500000e-01 -1.6746790000e+00  1.0232950000e+00 -4.9454000000e-02
-ENERGY -1.526535083738e+02
-FORCES -7.5877000000e-03  2.9512000000e-03  2.6580000000e-03 -3.2907000000e-03 -1.0226000000e-03 -1.9540000000e-03  5.8843000000e-03  1.9680000000e-03 -1.1690000000e-03 -2.6610000000e-03 -3.2184000000e-03 -2.0080000000e-04  2.8527000000e-03  3.1999000000e-03  2.6370000000e-04  4.8024000000e-03 -3.8780000000e-03  4.0210000000e-04
-
-JOB 22
-COORDS -1.1074900000e-01  1.3422500000e+00 -5.9796300000e-01 -3.9340600000e-01  4.5417500000e-01 -3.7965400000e-01  8.3159500000e-01  1.3422820000e+00 -4.2997900000e-01  3.8836000000e-02 -1.2505240000e+00  5.6401000000e-01 -1.5121500000e-01 -2.0161680000e+00  1.1061380000e+00  9.4086200000e-01 -1.3813880000e+00  2.7168200000e-01
-ENERGY -1.526583085321e+02
-FORCES  1.3627000000e-03 -8.9594000000e-03  6.0588000000e-03  1.3129000000e-03  6.0749000000e-03 -4.6362000000e-03 -1.9457000000e-03 -3.8400000000e-04 -1.2886000000e-03  1.3915000000e-03 -1.7412000000e-03  1.0908000000e-03  2.3638000000e-03  3.1359000000e-03 -2.5013000000e-03 -4.4852000000e-03  1.8738000000e-03  1.2764000000e-03
-
-JOB 23
-COORDS -2.3880000000e-03 -1.2024730000e+00 -6.8900200000e-01 -5.0757500000e-01 -1.2730480000e+00 -1.4989630000e+00 -4.1243300000e-01 -1.8310400000e+00 -9.4866000000e-02 -1.8290000000e-03  1.2564990000e+00  7.3847400000e-01  2.4782700000e-01  4.5437600000e-01  2.7967000000e-01  7.2104900000e-01  1.8619820000e+00  5.7394900000e-01
-ENERGY -1.526615637945e+02
-FORCES -5.1926000000e-03 -2.3330000000e-04 -7.7980000000e-04  2.2375000000e-03 -1.1315000000e-03  3.8170000000e-03  1.8636000000e-03  3.2553000000e-03 -3.3148000000e-03  2.3150000000e-03 -7.5626000000e-03 -6.0693000000e-03  8.7830000000e-04  8.3621000000e-03  6.8081000000e-03 -2.1019000000e-03 -2.6900000000e-03 -4.6120000000e-04
-
-JOB 24
-COORDS  1.3112310000e+00  5.9452500000e-01  2.3403200000e-01  1.5894640000e+00  1.7320500000e-01 -5.7917700000e-01  6.5533300000e-01  1.2355610000e+00 -4.0015000000e-02 -1.3424810000e+00 -6.0526900000e-01 -1.3317300000e-01 -1.0515830000e+00 -2.4750000000e-02 -8.3645700000e-01 -6.5051700000e-01 -1.2629320000e+00 -6.3186000000e-02
-ENERGY -1.526504657095e+02
-FORCES -5.1458000000e-03  1.1137000000e-03 -2.6169000000e-03 -3.5154000000e-03  3.6100000000e-04  3.5322000000e-03  2.4730000000e-03 -3.1176000000e-03 -1.4358000000e-03  1.0237800000e-02  6.5060000000e-04  5.9540000000e-04 -1.9700000000e-05  4.8760000000e-04  2.1270000000e-03 -4.0298000000e-03  5.0460000000e-04 -2.2019000000e-03
-
-JOB 25
-COORDS -5.4022100000e-01  8.9645600000e-01  1.0352160000e+00 -7.1553300000e-01  7.0615800000e-01  1.1365000000e-01  1.5852000000e-01  1.5504010000e+00  1.0165240000e+00  5.2642100000e-01 -8.6583900000e-01 -9.3874100000e-01  9.7538000000e-02 -9.3542500000e-01 -1.7916470000e+00  7.1560600000e-01 -1.7707810000e+00 -6.9070900000e-01
-ENERGY -1.526551064507e+02
-FORCES  6.5006000000e-03 -4.1761000000e-03 -8.4951000000e-03 -4.0207000000e-03  4.6006000000e-03  2.4688000000e-03 -2.6495000000e-03 -1.5274000000e-03  7.3820000000e-04  1.0360000000e-04 -4.8407000000e-03  2.4872000000e-03  4.3530000000e-04  2.2455000000e-03  5.3364000000e-03 -3.6930000000e-04  3.6982000000e-03 -2.5354000000e-03
-
-JOB 26
-COORDS -2.1205600000e-01 -1.4749000000e+00  6.1102000000e-02 -6.1332200000e-01 -1.7730440000e+00 -7.5518700000e-01 -1.1113700000e-01 -5.2981200000e-01 -5.2280000000e-02  2.1473900000e-01  1.3786640000e+00 -2.7396000000e-02  5.9650700000e-01  1.6024870000e+00  8.2136000000e-01  1.1321200000e-01  2.2191680000e+00 -4.7402700000e-01
-ENERGY -1.526612784853e+02
-FORCES -1.9410000000e-04  8.9101000000e-03 -3.8452000000e-03  1.1140000000e-03  1.1419000000e-03  2.1998000000e-03 -4.0150000000e-04 -9.1627000000e-03  2.4518000000e-03  3.8900000000e-04  2.4221000000e-03  6.9300000000e-04 -2.0478000000e-03 -5.4690000000e-04 -4.6312000000e-03  1.1405000000e-03 -2.7645000000e-03  3.1319000000e-03
-
-JOB 27
-COORDS -5.1431600000e-01 -1.3945340000e+00  3.9460000000e-03 -2.4259100000e-01 -1.7343790000e+00  8.5653200000e-01  7.1747000000e-02 -6.5515600000e-01 -1.5755100000e-01  5.1765600000e-01  1.3314700000e+00 -2.3100000000e-04  6.5153400000e-01  1.7462280000e+00 -8.5245400000e-01 -3.2663400000e-01  1.6677240000e+00  3.0033300000e-01
-ENERGY -1.526612877664e+02
-FORCES  6.3832000000e-03  7.5852000000e-03  2.1540000000e-03 -1.2233000000e-03  1.4103000000e-03 -2.4731000000e-03 -4.1867000000e-03 -8.9625000000e-03 -9.3390000000e-04 -4.4797000000e-03  3.9068000000e-03 -9.4730000000e-04 -1.2512000000e-03 -2.7363000000e-03  4.0047000000e-03  4.7577000000e-03 -1.2034000000e-03 -1.8043000000e-03
-
-JOB 28
-COORDS  1.2119600000e-01 -3.1295900000e-01 -1.4771360000e+00  1.1948400000e-01  6.1564000000e-02 -5.9624900000e-01  9.4483400000e-01 -1.4800000000e-02 -1.8630800000e+00 -1.1227100000e-01  3.0173400000e-01  1.4232930000e+00 -1.0227570000e+00  4.7271300000e-01  1.1824330000e+00 -1.6711800000e-01 -3.5216300000e-01  2.1201730000e+00
-ENERGY -1.526600699832e+02
-FORCES  4.0516000000e-03  2.3825000000e-03  7.2995000000e-03 -3.8899000000e-03  4.9030000000e-04 -9.0380000000e-03 -2.5848000000e-03 -1.0096000000e-03  1.5166000000e-03 -3.2849000000e-03 -4.2147000000e-03  3.9422000000e-03  6.3425000000e-03 -1.5066000000e-03 -1.4178000000e-03 -6.3450000000e-04  3.8581000000e-03 -2.3026000000e-03
-
-JOB 29
-COORDS -1.0367900000e-01  7.0832000000e-02 -1.5512750000e+00  4.1740400000e-01  6.2770000000e-03 -7.5093900000e-01 -1.0110140000e+00  8.2757000000e-02 -1.2465890000e+00  8.8477000000e-02 -4.6335000000e-02  1.4270620000e+00  4.2277100000e-01 -9.1655200000e-01  1.6443230000e+00  3.4343800000e-01  5.0101400000e-01  2.1697830000e+00
-ENERGY -1.526597276732e+02
-FORCES -2.0892000000e-03  1.0778000000e-03  1.0576200000e-02  1.2580000000e-03 -1.9675000000e-03 -7.0840000000e-03  1.7268000000e-03 -3.4030000000e-04 -3.2892000000e-03  1.3163000000e-03 -2.7680000000e-04  4.9960000000e-03 -1.0221000000e-03  4.7765000000e-03 -2.1155000000e-03 -1.1899000000e-03 -3.2698000000e-03 -3.0834000000e-03
-
-JOB 30
-COORDS -1.1857780000e+00 -2.7826500000e-01  8.0573500000e-01 -1.4257170000e+00  5.0063500000e-01  1.3077080000e+00 -2.0139500000e+00 -7.3669300000e-01  6.6358300000e-01  1.2478250000e+00  2.4767400000e-01 -8.9459700000e-01  1.9916560000e+00  4.2938500000e-01 -3.2020300000e-01  4.8649100000e-01  2.6707500000e-01 -3.1474700000e-01
-ENERGY -1.526602334892e+02
-FORCES -5.8557000000e-03 -1.4195000000e-03  3.7140000000e-04  2.1933000000e-03 -3.4649000000e-03 -3.1331000000e-03  2.9924000000e-03  2.7391000000e-03  2.1039000000e-03 -4.5556000000e-03 -1.9356000000e-03  6.2117000000e-03 -2.8304000000e-03 -2.2980000000e-04 -1.4996000000e-03  8.0560000000e-03  4.3107000000e-03 -4.0544000000e-03
-
-JOB 31
-COORDS -1.0986980000e+00 -9.1212100000e-01 -5.9659200000e-01 -9.1838200000e-01 -1.8486270000e+00 -5.1489400000e-01 -4.4402800000e-01 -4.9211300000e-01 -3.8711000000e-02  1.0361870000e+00  8.7763500000e-01  5.6414000000e-01  1.9099670000e+00  1.2681850000e+00  5.7862800000e-01  4.4198100000e-01  1.6223130000e+00  4.7136200000e-01
-ENERGY -1.526601140338e+02
-FORCES  7.1079000000e-03 -1.7610000000e-04  3.4214000000e-03 -5.0960000000e-04  2.9374000000e-03 -3.5670000000e-04 -8.2951000000e-03 -2.1800000000e-03 -2.5000000000e-03  3.0855000000e-03  4.4013000000e-03 -1.3726000000e-03 -4.0363000000e-03 -2.7000000000e-04  2.6140000000e-04  2.6475000000e-03 -4.7126000000e-03  5.4650000000e-04
-
-JOB 32
-COORDS -1.0482900000e+00  1.0693560000e+00  7.9591000000e-02 -1.9409900000e+00  7.2678500000e-01  1.2390900000e-01 -9.2723800000e-01  1.3054920000e+00 -8.4009300000e-01  1.1650270000e+00 -1.0466630000e+00 -3.1802000000e-02  4.4575400000e-01 -5.8392900000e-01  3.9803100000e-01  7.4988300000e-01 -1.8025240000e+00 -4.4720700000e-01
-ENERGY -1.526593263067e+02
-FORCES -2.7395000000e-03  2.2113000000e-03 -5.5313000000e-03  4.9294000000e-03  2.8900000000e-04 -3.6690000000e-04 -1.9003000000e-03 -1.1293000000e-03  4.4816000000e-03 -7.2640000000e-03  2.7180000000e-03  1.0589000000e-03  5.8865000000e-03 -6.9345000000e-03 -7.1720000000e-04  1.0879000000e-03  2.8455000000e-03  1.0749000000e-03
-
-JOB 33
-COORDS  6.6977300000e-01  8.0078000000e-02 -1.3273730000e+00  1.6000280000e+00 -1.3617100000e-01 -1.2633850000e+00  6.4485900000e-01  8.7963900000e-01 -1.8530270000e+00 -7.7549500000e-01 -9.2977000000e-02  1.3659350000e+00 -3.9107900000e-01 -1.7945100000e-01  4.9359500000e-01 -8.7812000000e-02 -3.9014100000e-01  1.9617680000e+00
-ENERGY -1.526607243660e+02
-FORCES  3.5382000000e-03  3.8402000000e-03 -3.0866000000e-03 -4.3988000000e-03  1.2334000000e-03  1.9340000000e-04  1.2135000000e-03 -4.0488000000e-03  1.8558000000e-03  5.6740000000e-03 -7.0410000000e-04 -5.9740000000e-03 -4.2038000000e-03 -1.2472000000e-03  9.0525000000e-03 -1.8232000000e-03  9.2640000000e-04 -2.0411000000e-03
-
-JOB 34
-COORDS  1.3885700000e-01 -7.5852300000e-01 -1.4464000000e+00  2.1843200000e-01  9.9831000000e-02 -1.8624850000e+00 -4.0080000000e-02 -5.6363400000e-01 -5.2649100000e-01 -1.5297100000e-01  6.3483500000e-01  1.4310340000e+00 -6.5428500000e-01  1.3852240000e+00  1.1119210000e+00  7.4275000000e-01  9.6214300000e-01  1.5134080000e+00
-ENERGY -1.526593237799e+02
-FORCES -1.0256000000e-03  4.7098000000e-03  5.8361000000e-03 -2.0430000000e-04 -2.5510000000e-03  1.3862000000e-03  1.1904000000e-03 -2.6673000000e-03 -8.8033000000e-03  1.7075000000e-03  6.2924000000e-03  2.8786000000e-03  3.0591000000e-03 -4.2338000000e-03  9.5800000000e-05 -4.7271000000e-03 -1.5501000000e-03 -1.3933000000e-03
-
-JOB 35
-COORDS -1.3981790000e+00  8.6828300000e-01  6.0515000000e-02 -7.9742800000e-01  1.4163740000e+00  5.6541700000e-01 -9.0818000000e-01  6.2351000000e-02 -1.0260300000e-01  1.2849730000e+00 -8.8267100000e-01 -9.6128000000e-02  1.6505990000e+00 -7.8373700000e-01  7.8294000000e-01  1.8634650000e+00 -3.6518500000e-01 -6.5629400000e-01
-ENERGY -1.526590912748e+02
-FORCES  7.5818000000e-03 -3.6731000000e-03  8.4700000000e-04 -2.2804000000e-03 -7.5510000000e-04 -1.2109000000e-03 -6.5480000000e-03  4.6471000000e-03  5.8790000000e-04  6.2405000000e-03  1.3970000000e-03  7.0820000000e-04 -2.2306000000e-03  5.0100000000e-04 -4.1774000000e-03 -2.7633000000e-03 -2.1169000000e-03  3.2451000000e-03
-
-JOB 36
-COORDS -6.4753700000e-01  1.4230960000e+00  1.6424000000e-02 -1.5074730000e+00  1.0121210000e+00  1.0497200000e-01 -6.7426400000e-01  1.8538920000e+00 -8.3793700000e-01  6.9141500000e-01 -1.4674750000e+00  8.1382000000e-02  9.7877800000e-01 -1.7133390000e+00 -7.9793800000e-01  5.5194500000e-01 -5.2174700000e-01  3.2614000000e-02
-ENERGY -1.526602510347e+02
-FORCES -6.2831000000e-03  2.5425000000e-03 -2.3770000000e-03  4.7036000000e-03  2.1001000000e-03 -1.0521000000e-03  3.1640000000e-04 -2.7628000000e-03  3.7451000000e-03 -7.2500000000e-05  6.3073000000e-03 -2.7446000000e-03 -1.3041000000e-03  1.1164000000e-03  2.8191000000e-03  2.6397000000e-03 -9.3035000000e-03 -3.9050000000e-04
-
-JOB 37
-COORDS -4.9925000000e-02 -1.2897360000e+00 -8.9781000000e-01 -9.4063200000e-01 -1.2758570000e+00 -5.4755500000e-01 -1.6594200000e-01 -1.3284020000e+00 -1.8471660000e+00  1.6465400000e-01  1.3377030000e+00  9.3978900000e-01  1.5546000000e-01  5.2235700000e-01  4.3843200000e-01 -6.9746500000e-01  1.3744170000e+00  1.3540780000e+00
-ENERGY -1.526581552595e+02
-FORCES -3.6472000000e-03 -2.4974000000e-03 -5.9134000000e-03  5.2733000000e-03  2.6848000000e-03 -1.8610000000e-04 -1.1290000000e-04 -6.3170000000e-04  4.5864000000e-03 -1.3557000000e-03 -5.0744000000e-03 -2.4957000000e-03 -2.8667000000e-03  6.4701000000e-03  6.1328000000e-03  2.7092000000e-03 -9.5140000000e-04 -2.1239000000e-03
-
-JOB 38
-COORDS  1.0158310000e+00 -1.0563580000e+00  6.3606300000e-01  1.9276900000e+00 -1.2557570000e+00  4.2396200000e-01  9.9712700000e-01 -1.0554100000e-01  7.4482500000e-01 -1.0571740000e+00  9.4927900000e-01 -6.5670500000e-01 -1.1206530000e+00  1.7678730000e+00 -1.1487460000e+00 -1.0520070000e+00  1.2207750000e+00  2.6117100000e-01
-ENERGY -1.526525007458e+02
-FORCES  2.3392000000e-03  4.2016000000e-03 -3.2663000000e-03 -3.6574000000e-03  7.1930000000e-04  7.6830000000e-04  1.6150000000e-04 -3.1832000000e-03  2.8995000000e-03 -2.2710000000e-03  3.6616000000e-03  1.3759000000e-03  7.9340000000e-04 -4.0238000000e-03  2.1035000000e-03  2.6343000000e-03 -1.3755000000e-03 -3.8809000000e-03
-
-JOB 39
-COORDS -4.4003600000e-01  6.8606500000e-01 -1.3707960000e+00  4.7344200000e-01  7.5883200000e-01 -1.0942180000e+00 -4.4393500000e-01  1.0064600000e+00 -2.2727740000e+00  3.6427700000e-01 -6.5629700000e-01  1.4461910000e+00  1.1870350000e+00 -5.9277400000e-01  9.6114900000e-01  7.1730000000e-03 -1.5102200000e+00  1.2022160000e+00
-ENERGY -1.526524827618e+02
-FORCES  3.6323000000e-03  2.5276000000e-03 -9.5710000000e-04 -2.2485000000e-03 -1.2749000000e-03 -2.0784000000e-03 -1.2200000000e-04 -1.7308000000e-03  4.2799000000e-03 -3.6130000000e-04 -3.8865000000e-03 -4.0477000000e-03 -3.1606000000e-03  1.4345000000e-03  7.0460000000e-04  2.2601000000e-03  2.9300000000e-03  2.0986000000e-03
-
-JOB 40
-COORDS -5.5898300000e-01  1.1529540000e+00  1.0785560000e+00 -1.4513890000e+00  8.9414300000e-01  1.3084690000e+00 -3.7176700000e-01  6.7649900000e-01  2.6974700000e-01  5.8886100000e-01 -1.0957300000e+00 -9.8465000000e-01  1.2967110000e+00 -8.7599100000e-01 -1.5903680000e+00 -3.6690000000e-03 -1.6455670000e+00 -1.4973090000e+00
-ENERGY -1.526591694068e+02
-FORCES -6.6260000000e-04 -5.7285000000e-03 -3.7817000000e-03  2.8421000000e-03  9.2320000000e-04 -8.9090000000e-04 -3.5154000000e-03  6.6297000000e-03  4.9775000000e-03  2.5894000000e-03 -3.6848000000e-03 -5.2647000000e-03 -3.7279000000e-03 -1.1268000000e-03  2.5317000000e-03  2.4743000000e-03  2.9871000000e-03  2.4280000000e-03
-
-JOB 41
-COORDS -8.9176500000e-01  5.5330000000e-03  1.4062190000e+00 -1.0251650000e+00  4.3960800000e-01  5.6359600000e-01 -1.5658960000e+00  3.7556000000e-01  1.9761840000e+00  9.4688500000e-01 -2.7107000000e-02 -1.3299000000e+00  4.0332600000e-01 -7.7314000000e-01 -1.5832980000e+00  1.2276320000e+00  3.5818800000e-01 -2.1599360000e+00
-ENERGY -1.526557089361e+02
-FORCES -1.3823000000e-03  4.1057000000e-03 -2.0610000000e-03 -2.7382000000e-03 -2.6870000000e-03  4.7383000000e-03  2.8509000000e-03 -1.3220000000e-03 -2.4616000000e-03  1.1651000000e-03 -2.9744000000e-03 -4.8300000000e-03  1.5041000000e-03  4.5081000000e-03  8.3500000000e-04 -1.3995000000e-03 -1.6304000000e-03  3.7793000000e-03
-
-JOB 42
-COORDS -7.0900000000e-02  1.5393690000e+00  8.3537300000e-01  1.0643100000e-01  1.3236000000e+00 -8.0175000000e-02 -1.0142830000e+00  1.4107000000e+00  9.3388100000e-01  1.7709500000e-01 -1.5415330000e+00 -7.8223700000e-01 -3.3103400000e-01 -1.0326730000e+00 -1.5049400000e-01 -4.2451700000e-01 -1.6873050000e+00 -1.5123360000e+00
-ENERGY -1.526548799949e+02
-FORCES -1.6082000000e-03  1.3972000000e-03 -3.6553000000e-03 -2.6159000000e-03  2.8450000000e-04  5.2026000000e-03  4.5002000000e-03 -1.3935000000e-03 -8.7670000000e-04 -4.0067000000e-03 -4.4240000000e-04  1.0926000000e-03  1.1791000000e-03 -1.4554000000e-03 -5.1020000000e-03  2.5515000000e-03  1.6096000000e-03  3.3388000000e-03
-
-JOB 43
-COORDS -5.6770800000e-01  1.4764100000e+00  7.2305200000e-01 -1.4470730000e+00  1.5178880000e+00  3.4724600000e-01  1.4021000000e-02  1.7061530000e+00 -1.5450000000e-03  5.8846700000e-01 -1.5389440000e+00 -6.9973000000e-01  1.6742600000e-01 -1.5766090000e+00  1.5906900000e-01  9.4377000000e-01 -6.5179400000e-01 -7.5411300000e-01
-ENERGY -1.526555964774e+02
-FORCES -2.7818000000e-03  2.8562000000e-03 -4.6164000000e-03  4.0235000000e-03 -1.4670000000e-04  1.9337000000e-03 -1.4342000000e-03 -2.8839000000e-03  2.9941000000e-03 -9.4480000000e-04  4.4602000000e-03  5.4680000000e-03  1.7876000000e-03 -1.9090000000e-03 -4.1160000000e-03 -6.5030000000e-04 -2.3769000000e-03 -1.6635000000e-03
-
-JOB 44
-COORDS -7.3478700000e-01  8.9816000000e-01  1.2432120000e+00 -1.0105600000e-01  1.5709820000e+00  9.9436000000e-01 -1.5679260000e+00  1.3650980000e+00  1.3070890000e+00  7.4483400000e-01 -9.2872100000e-01 -1.2891160000e+00  7.3714500000e-01 -5.6821800000e-01 -4.0243100000e-01  7.6843700000e-01 -1.8771970000e+00 -1.1623590000e+00
-ENERGY -1.526568696951e+02
-FORCES -3.4611000000e-03  5.6671000000e-03 -7.9770000000e-04 -1.9320000000e-03 -4.3681000000e-03  7.0570000000e-04  3.6995000000e-03 -1.3712000000e-03  4.1120000000e-04 -2.0101000000e-03 -2.0464000000e-03  5.6573000000e-03  3.6289000000e-03 -1.2734000000e-03 -5.1958000000e-03  7.4800000000e-05  3.3921000000e-03 -7.8070000000e-04
-
-JOB 45
-COORDS -1.8032600000e-01 -1.2627720000e+00 -1.3317440000e+00  3.4649100000e-01 -1.5569780000e+00 -5.8868300000e-01 -2.6099600000e-01 -3.1688400000e-01 -1.2091840000e+00  1.4700400000e-01  1.1642080000e+00  1.2628890000e+00  8.2171000000e-01  1.7801320000e+00  9.7716000000e-01 -4.0850900000e-01  1.6735290000e+00  1.8529990000e+00
-ENERGY -1.526574923308e+02
-FORCES  1.2331000000e-03  3.9266000000e-03  6.0898000000e-03 -1.3042000000e-03 -4.2640000000e-04 -3.9248000000e-03  5.4760000000e-04 -3.9720000000e-03 -3.5771000000e-03 -3.7300000000e-05  5.4327000000e-03  3.4413000000e-03 -3.2454000000e-03 -3.1138000000e-03  5.1520000000e-04  2.8062000000e-03 -1.8470000000e-03 -2.5443000000e-03
-
-JOB 46
-COORDS  6.7417300000e-01  9.7529600000e-01  1.3580150000e+00  9.5253500000e-01  1.1063700000e-01  1.0561690000e+00  1.4737660000e+00  1.5014200000e+00  1.3493180000e+00 -7.4288300000e-01 -9.3396100000e-01 -1.2724570000e+00 -9.1560600000e-01 -1.7969060000e+00 -1.6489190000e+00 -5.1994600000e-01 -3.8455800000e-01 -2.0239130000e+00
-ENERGY -1.526552495795e+02
-FORCES  3.1592000000e-03 -2.9356000000e-03 -2.0202000000e-03  8.8720000000e-04  4.5312000000e-03  3.1055000000e-03 -3.2404000000e-03 -1.9580000000e-03 -3.5490000000e-04 -1.2285000000e-03 -3.9850000000e-04 -5.4539000000e-03  1.0042000000e-03  3.7176000000e-03  1.8411000000e-03 -5.8170000000e-04 -2.9567000000e-03  2.8823000000e-03
-
-JOB 47
-COORDS  1.3286100000e-01 -1.8364000000e-01 -1.7919550000e+00  8.2865000000e-02  5.4229300000e-01 -1.1700590000e+00  3.7922600000e-01  2.2693500000e-01 -2.6207880000e+00 -1.7296800000e-01  5.5663000000e-02  1.8059970000e+00  5.2800600000e-01  3.4019000000e-01  2.3924360000e+00 -3.1332700000e-01  8.0008700000e-01  1.2208770000e+00
-ENERGY -1.526515150579e+02
-FORCES  9.9090000000e-04  4.1058000000e-03 -7.3510000000e-04 -5.0750000000e-04 -1.4896000000e-03 -1.6155000000e-03 -9.7330000000e-04 -1.9517000000e-03  3.7470000000e-03  2.4265000000e-03  3.6264000000e-03  1.0318000000e-03 -3.2191000000e-03 -1.2019000000e-03 -2.5618000000e-03  1.2824000000e-03 -3.0889000000e-03  1.3350000000e-04
-
-JOB 48
-COORDS  5.5087600000e-01 -1.4998210000e+00  9.4008300000e-01  3.2710100000e-01 -7.1050200000e-01  4.4700000000e-01  5.7040000000e-03 -1.4547220000e+00  1.7255680000e+00 -4.5830900000e-01  1.4701230000e+00 -9.1134900000e-01 -4.4822200000e-01  1.5463900000e+00 -1.8654520000e+00 -1.3425390000e+00  1.1677730000e+00 -7.0410000000e-01
-ENERGY -1.526575774581e+02
-FORCES -1.9590000000e-03  5.0366000000e-03  3.8620000000e-04 -4.7000000000e-05 -6.5955000000e-03  3.9287000000e-03  1.5991000000e-03 -2.2530000000e-04 -3.1715000000e-03 -4.0353000000e-03  1.7881000000e-03 -5.5142000000e-03 -5.0510000000e-04 -1.0210000000e-04  4.3551000000e-03  4.9473000000e-03  9.8200000000e-05  1.5800000000e-05
-
-JOB 49
-COORDS  3.4770100000e-01  8.4620000000e-01 -1.5007010000e+00  2.0817900000e-01  1.1917530000e+00 -2.3823800000e+00  6.2618100000e-01  1.6043980000e+00 -9.8706900000e-01 -4.1759000000e-01 -9.0060100000e-01  1.5536630000e+00 -1.4810600000e-01 -6.8993100000e-01  6.5966700000e-01  3.4520700000e-01 -1.3318020000e+00  1.9389400000e+00
-ENERGY -1.526581898572e+02
-FORCES -1.3900000000e-05  5.5244000000e-03 -3.5566000000e-03  1.0208000000e-03 -7.5830000000e-04  3.7501000000e-03 -9.9190000000e-04 -3.8602000000e-03 -2.1918000000e-03  3.6889000000e-03 -9.5210000000e-04 -3.8931000000e-03 -9.1770000000e-04 -1.7754000000e-03  7.1741000000e-03 -2.7862000000e-03  1.8215000000e-03 -1.2828000000e-03
-
-JOB 50
-COORDS  4.0810300000e-01  1.0027560000e+00 -1.4659360000e+00  1.1219000000e-02  1.8285770000e+00 -1.7429470000e+00 -3.3358100000e-01  4.1188100000e-01 -1.3355370000e+00 -3.0551000000e-01 -9.7252100000e-01  1.5043550000e+00 -1.2498280000e+00 -8.8759900000e-01  1.3728840000e+00 -8.1116000000e-02 -1.8100560000e+00  1.0988750000e+00
-ENERGY -1.526530284942e+02
-FORCES -4.4383000000e-03  6.7080000000e-04  1.1628000000e-03  1.5073000000e-03 -3.4011000000e-03  1.1804000000e-03  2.1818000000e-03  2.1666000000e-03 -2.2358000000e-03 -1.8331000000e-03 -3.3590000000e-03 -7.9800000000e-04  4.0930000000e-03  1.1310000000e-04 -6.3930000000e-04 -1.5107000000e-03  3.8096000000e-03  1.3300000000e-03
-
-JOB 51
-COORDS -1.5497190000e+00 -1.1041120000e+00 -2.7968100000e-01 -9.5325200000e-01 -1.0246520000e+00 -1.0240910000e+00 -1.3031060000e+00 -3.8598400000e-01  3.0316200000e-01  1.4904090000e+00  1.1246370000e+00  2.8876000000e-01  1.5581340000e+00  5.1887300000e-01 -4.4927500000e-01  1.5679440000e+00  5.6826300000e-01  1.0637880000e+00
-ENERGY -1.526550048142e+02
-FORCES  2.5958000000e-03  4.7532000000e-03 -8.8120000000e-04 -1.4281000000e-03 -9.2460000000e-04  3.0171000000e-03 -1.2392000000e-03 -4.6124000000e-03 -1.9585000000e-03  3.3283000000e-03 -4.2343000000e-03  5.1490000000e-04 -1.8745000000e-03  2.4178000000e-03  2.9689000000e-03 -1.3823000000e-03  2.6002000000e-03 -3.6612000000e-03
-
-JOB 52
-COORDS  6.2356300000e-01 -6.2590700000e-01 -1.6034270000e+00  8.2921500000e-01  2.5478900000e-01 -1.2898760000e+00  1.2432790000e+00 -7.7738800000e-01 -2.3170360000e+00 -6.8283500000e-01  6.2738400000e-01  1.6711800000e+00 -2.0616800000e-01  6.8368200000e-01  8.4301800000e-01 -1.0126870000e+00 -2.7079700000e-01  1.6976490000e+00
-ENERGY -1.526541998503e+02
-FORCES  4.6307000000e-03  2.4320000000e-03 -3.8919000000e-03 -2.3988000000e-03 -3.8329000000e-03  1.4334000000e-03 -2.8184000000e-03  6.5560000000e-04  3.0020000000e-03  9.5100000000e-05 -5.2042000000e-03 -3.7459000000e-03 -4.6360000000e-04  1.8386000000e-03  2.2068000000e-03  9.5500000000e-04  4.1109000000e-03  9.9550000000e-04
-
-JOB 53
-COORDS  2.3264500000e-01  1.7839690000e+00 -5.0525600000e-01  8.0969200000e-01  1.0471870000e+00 -3.0425900000e-01  6.5479900000e-01  2.2253140000e+00 -1.2422990000e+00 -2.2365000000e-01 -1.7778680000e+00  5.3101100000e-01 -7.5589500000e-01 -1.1716490000e+00  1.5797000000e-02 -8.4436900000e-01 -2.1926020000e+00  1.1301230000e+00
-ENERGY -1.526570773918e+02
-FORCES  5.3336000000e-03 -3.4640000000e-04 -1.6404000000e-03 -3.6882000000e-03  3.7151000000e-03 -2.0718000000e-03 -1.6953000000e-03 -1.8257000000e-03  3.0515000000e-03 -5.8871000000e-03  3.5320000000e-04  9.0170000000e-04  3.5600000000e-03 -3.2917000000e-03  2.3567000000e-03  2.3770000000e-03  1.3955000000e-03 -2.5977000000e-03
-
-JOB 54
-COORDS -2.4274200000e-01 -1.5843440000e+00 -1.0332780000e+00 -9.9361200000e-01 -1.8221490000e+00 -4.8933500000e-01  2.4932500000e-01 -2.3993460000e+00 -1.1326430000e+00  2.8480400000e-01  1.5905510000e+00  1.0500300000e+00  1.4823000000e-02  1.5165820000e+00  1.3467700000e-01  5.5888000000e-02  2.4868140000e+00  1.2960810000e+00
-ENERGY -1.526556117084e+02
-FORCES -3.7160000000e-04 -4.9497000000e-03  2.6339000000e-03  2.7830000000e-03  9.4970000000e-04 -2.8389000000e-03 -2.2973000000e-03  3.0481000000e-03  2.0340000000e-04 -1.5362000000e-03  2.4948000000e-03 -3.7784000000e-03  5.8640000000e-04  2.1479000000e-03  4.7196000000e-03  8.3580000000e-04 -3.6908000000e-03 -9.3950000000e-04
-
-JOB 55
-COORDS -1.4632070000e+00  1.1760270000e+00 -7.1842800000e-01 -1.4788450000e+00  2.0598360000e+00 -1.0856720000e+00 -5.5396300000e-01  1.0436920000e+00 -4.5011000000e-01  1.3968390000e+00 -1.1523540000e+00  7.3205700000e-01  1.5008250000e+00 -1.7936410000e+00  1.4350300000e+00  1.6157610000e+00 -1.6334430000e+00 -6.5977000000e-02
-ENERGY -1.526563623092e+02
-FORCES  4.3015000000e-03  2.3193000000e-03  7.0170000000e-04  7.6200000000e-05 -3.4667000000e-03  1.3495000000e-03 -4.8250000000e-03  2.0997000000e-03 -2.8027000000e-03  1.1988000000e-03 -5.7832000000e-03  5.5490000000e-04  3.5100000000e-05  2.4081000000e-03 -3.0915000000e-03 -7.8660000000e-04  2.4228000000e-03  3.2882000000e-03
-
-JOB 56
-COORDS  1.4943660000e+00 -1.2677330000e+00 -5.6906200000e-01  7.9740700000e-01 -1.3526310000e+00 -1.2196560000e+00  1.3332870000e+00 -1.9801940000e+00  4.9553000000e-02 -1.4674600000e+00  1.2839420000e+00  5.1304300000e-01 -6.4902600000e-01  1.1062410000e+00  9.7652900000e-01 -1.8928480000e+00  1.9675590000e+00  1.0306760000e+00
-ENERGY -1.526558840784e+02
-FORCES -3.7325000000e-03 -3.6999000000e-03 -1.2722000000e-03  3.5037000000e-03 -1.2450000000e-04  2.7938000000e-03  7.2640000000e-04  3.2437000000e-03 -2.1584000000e-03  2.3708000000e-03  2.2821000000e-03  3.8005000000e-03 -4.6087000000e-03  1.0900000000e-03 -1.1768000000e-03  1.7404000000e-03 -2.7915000000e-03 -1.9870000000e-03
-
-JOB 57
-COORDS  1.2464200000e+00 -3.1625000000e-01 -1.5832720000e+00  1.4843490000e+00 -7.4943500000e-01 -2.4030120000e+00  4.0207900000e-01  9.5994000000e-02 -1.7659590000e+00 -1.2023070000e+00  3.1936700000e-01  1.6988930000e+00 -1.8953170000e+00 -1.1662600000e-01  1.2030310000e+00 -6.5888100000e-01  7.4017100000e-01  1.0326770000e+00
-ENERGY -1.526536496630e+02
-FORCES -1.5343000000e-03 -8.4110000000e-04 -5.1141000000e-03 -1.0999000000e-03  1.8978000000e-03  3.4459000000e-03  2.9922000000e-03 -1.3278000000e-03  2.1585000000e-03  5.3940000000e-04 -7.1080000000e-04 -4.4549000000e-03  2.6338000000e-03  2.0983000000e-03  1.7197000000e-03 -3.5313000000e-03 -1.1163000000e-03  2.2449000000e-03
-
-JOB 58
-COORDS -1.5760050000e+00  1.9057400000e-01  1.3008320000e+00 -8.3198000000e-01  5.8230400000e-01  1.7582230000e+00 -2.3421760000e+00  4.8288600000e-01  1.7945610000e+00  1.5823680000e+00 -2.9728100000e-01 -1.3449280000e+00  1.3525990000e+00  4.0088100000e-01 -7.3173300000e-01  1.6283810000e+00  1.3696000000e-01 -2.1967200000e+00
-ENERGY -1.526534905386e+02
-FORCES -7.1920000000e-04  2.1140000000e-03  4.5048000000e-03 -2.5742000000e-03 -1.1257000000e-03 -2.7665000000e-03  3.2361000000e-03 -1.2382000000e-03 -2.1318000000e-03 -2.0984000000e-03  4.4848000000e-03 -1.0604000000e-03  2.0350000000e-03 -2.4528000000e-03 -1.9194000000e-03  1.2060000000e-04 -1.7821000000e-03  3.3733000000e-03
-
-JOB 59
-COORDS -1.3285990000e+00  1.8854010000e+00  3.2026000000e-02 -9.4247400000e-01  2.0068890000e+00 -8.3537300000e-01 -9.9770100000e-01  1.0364260000e+00  3.2525100000e-01  1.2457380000e+00 -1.7853870000e+00 -2.0149000000e-02  2.1085330000e+00 -1.7691760000e+00  3.9404100000e-01  1.0170080000e+00 -2.7139160000e+00 -6.1956000000e-02
-ENERGY -1.526562761529e+02
-FORCES  3.5146000000e-03 -3.9102000000e-03 -2.4113000000e-03 -1.7694000000e-03  1.3350000000e-04  3.2361000000e-03 -2.2985000000e-03  4.5030000000e-03 -7.6410000000e-04  3.1688000000e-03 -4.4946000000e-03  1.4746000000e-03 -3.6710000000e-03 -1.3220000000e-04 -1.7630000000e-03  1.0556000000e-03  3.9004000000e-03  2.2760000000e-04
-
-JOB 60
-COORDS -1.2493310000e+00  1.4404340000e+00  1.0716810000e+00 -1.1188710000e+00  1.9567840000e+00  1.8670390000e+00 -2.1249670000e+00  1.6819130000e+00  7.6972000000e-01  1.3227780000e+00 -1.5050810000e+00 -1.1471950000e+00  1.2256330000e+00 -6.0290400000e-01 -8.4244900000e-01  7.8974200000e-01 -2.0213400000e+00 -5.4256200000e-01
-ENERGY -1.526560879439e+02
-FORCES -3.6449000000e-03  3.6263000000e-03  2.2107000000e-03 -5.7080000000e-04 -2.1818000000e-03 -3.3411000000e-03  3.6538000000e-03 -9.6440000000e-04  1.4412000000e-03 -3.2792000000e-03  2.3721000000e-03  4.2200000000e-03  1.4699000000e-03 -4.1539000000e-03 -1.9280000000e-03  2.3712000000e-03  1.3017000000e-03 -2.6028000000e-03
-
-JOB 61
-COORDS  2.1982020000e+00  2.7295400000e-01  6.4876000000e-01  1.7636310000e+00  1.0685700000e+00  3.4155500000e-01  2.7930350000e+00  3.4580000000e-02 -6.2284000000e-02 -2.2651220000e+00 -2.8974900000e-01 -6.0390100000e-01 -1.4886300000e+00  2.6967500000e-01 -6.2223600000e-01 -1.9431720000e+00 -1.1371800000e+00 -2.9658800000e-01
-ENERGY -1.526544651837e+02
-FORCES  2.1373000000e-03  2.7092000000e-03 -3.7022000000e-03  8.5760000000e-04 -3.9033000000e-03  9.3910000000e-04 -2.8407000000e-03  9.6670000000e-04  2.9699000000e-03  4.8140000000e-03 -1.6666000000e-03  1.7950000000e-03 -3.1762000000e-03 -1.4905000000e-03 -3.9680000000e-04 -1.7921000000e-03  3.3845000000e-03 -1.6050000000e-03
-
-JOB 62
-COORDS -1.1633600000e+00  5.9754600000e-01  1.9643270000e+00 -1.1316050000e+00 -3.5886400000e-01  1.9419170000e+00 -2.0966070000e+00  8.0571100000e-01  2.0084860000e+00  1.1950440000e+00 -4.9262600000e-01 -1.9734320000e+00  2.0295670000e+00 -8.9044500000e-01 -2.2215100000e+00  6.9827500000e-01 -1.2065450000e+00 -1.5737180000e+00
-ENERGY -1.526531894774e+02
-FORCES -3.6505000000e-03 -2.6595000000e-03 -7.3700000000e-05 -5.0500000000e-05  3.6288000000e-03 -1.0830000000e-04  3.8545000000e-03 -9.4960000000e-04 -9.7900000000e-05  1.4021000000e-03 -4.1770000000e-03  9.5670000000e-04 -3.4625000000e-03  1.6106000000e-03  9.8590000000e-04  1.9069000000e-03  2.5468000000e-03 -1.6626000000e-03
-
-JOB 63
-COORDS  3.4621200000e-01  6.2144800000e-01  2.3385760000e+00  3.4223200000e-01 -1.8621500000e-01  2.8522850000e+00  5.0971300000e-01  3.3377600000e-01  1.4403870000e+00 -3.7822000000e-01 -5.3662300000e-01 -2.3821430000e+00 -9.0706000000e-01 -5.6199300000e-01 -1.5847000000e+00  4.7748100000e-01 -8.7094200000e-01 -2.1133700000e+00
-ENERGY -1.526532124145e+02
-FORCES  1.0280000000e-03 -4.0965000000e-03 -9.9370000000e-04 -6.2900000000e-05  3.3509000000e-03 -2.4683000000e-03 -1.1184000000e-03  6.3020000000e-04  3.3453000000e-03  8.3980000000e-04 -1.5931000000e-03  3.4676000000e-03  2.9970000000e-03  8.5100000000e-05 -2.9200000000e-03 -3.6834000000e-03  1.6234000000e-03 -4.3100000000e-04
-
-JOB 64
-COORDS  3.5112300000e-01  1.7441600000e+00  1.5631420000e+00  8.1248600000e-01  1.3026620000e+00  2.2762030000e+00  2.9371400000e-01  2.6575320000e+00  1.8436530000e+00 -3.5037800000e-01 -1.7857820000e+00 -1.6810290000e+00 -9.0416100000e-01 -1.0394270000e+00 -1.4518770000e+00 -2.3194200000e-01 -2.2586160000e+00 -8.5723800000e-01
-ENERGY -1.526548624813e+02
-FORCES  2.0993000000e-03  2.4088000000e-03  4.0881000000e-03 -2.1111000000e-03  1.6354000000e-03 -2.9139000000e-03  2.0160000000e-04 -3.8102000000e-03 -1.0686000000e-03 -1.5467000000e-03  2.0552000000e-03  4.7138000000e-03  1.7913000000e-03 -3.6626000000e-03 -1.4871000000e-03 -4.3430000000e-04  1.3734000000e-03 -3.3324000000e-03
-
-JOB 65
-COORDS  6.1770500000e-01 -2.0504510000e+00  1.0443320000e+00  4.9151400000e-01 -2.3285250000e+00  1.9515150000e+00  6.7353700000e-01 -2.8673090000e+00  5.4849100000e-01 -6.2810900000e-01  2.0615690000e+00 -1.0368250000e+00 -3.2589700000e-01  2.9017910000e+00 -6.9197000000e-01 -6.5818900000e-01  2.1882070000e+00 -1.9851340000e+00
-ENERGY -1.526529754213e+02
-FORCES -6.6170000000e-04 -4.1567000000e-03  1.4774000000e-03  6.3440000000e-04  1.1309000000e-03 -3.6489000000e-03 -1.1720000000e-04  3.2671000000e-03  2.0250000000e-03  1.5110000000e-03  3.5647000000e-03 -2.2321000000e-03 -1.3790000000e-03 -3.3028000000e-03 -1.4273000000e-03  1.2500000000e-05 -5.0310000000e-04  3.8059000000e-03
-
-JOB 66
-COORDS  3.6105800000e-01 -4.0765600000e-01  2.3387870000e+00  4.0303900000e-01  3.7124100000e-01  2.8935760000e+00 -8.7553000000e-02 -1.0608540000e+00  2.8757340000e+00 -3.0300300000e-01  3.4660900000e-01 -2.4369440000e+00 -1.0857140000e+00  3.7803400000e-01 -1.8868450000e+00 -4.8699000000e-02  1.2630560000e+00 -2.5450490000e+00
-ENERGY -1.526538828320e+02
-FORCES -1.2365000000e-03  1.6570000000e-04  4.6025000000e-03 -3.2390000000e-04 -3.0893000000e-03 -2.4411000000e-03  1.7272000000e-03  2.8111000000e-03 -2.2478000000e-03 -1.7842000000e-03  3.5816000000e-03  2.8297000000e-03  2.7109000000e-03  7.2600000000e-05 -2.8960000000e-03 -1.0934000000e-03 -3.5417000000e-03  1.5270000000e-04
-
-JOB 67
-COORDS  9.4004400000e-01  2.3842060000e+00 -1.4667000000e-01  4.0240100000e-01  1.6736850000e+00 -4.9643100000e-01  7.4782400000e-01  3.1316760000e+00 -7.1286100000e-01 -9.0368100000e-01 -2.4389700000e+00  1.5169100000e-01 -2.2204300000e-01 -1.7707300000e+00  2.2279900000e-01 -1.4821270000e+00 -2.2718700000e+00  8.9580800000e-01
-ENERGY -1.526541500502e+02
-FORCES -2.9425000000e-03  8.2400000000e-04 -4.2354000000e-03  2.3500000000e-03  2.2531000000e-03  2.0712000000e-03  8.0340000000e-04 -3.0907000000e-03  2.4151000000e-03  6.5450000000e-04  2.7735000000e-03  3.9593000000e-03 -3.1880000000e-03 -2.1807000000e-03 -9.1910000000e-04  2.3226000000e-03 -5.7920000000e-04 -3.2911000000e-03
-
-JOB 68
-COORDS -4.7353300000e-01  2.4887070000e+00 -7.3035000000e-02 -5.0348800000e-01  3.4454300000e+00 -6.9119000000e-02 -9.6934800000e-01  2.2298970000e+00  7.0376400000e-01  4.7968000000e-01 -2.5819150000e+00  6.0940000000e-03  1.3223270000e+00 -2.1389240000e+00 -9.3591000000e-02 -1.0316000000e-02 -2.0310390000e+00  6.1656200000e-01
-ENERGY -1.526542716471e+02
-FORCES -2.4301000000e-03  3.4106000000e-03  2.8337000000e-03  1.2650000000e-04 -3.9786000000e-03  6.1800000000e-05  2.3133000000e-03  6.1120000000e-04 -3.0612000000e-03  1.4839000000e-03  4.6829000000e-03  1.5803000000e-03 -3.2595000000e-03 -2.2439000000e-03  6.2470000000e-04  1.7658000000e-03 -2.4822000000e-03 -2.0393000000e-03
-
-JOB 69
-COORDS -7.7793300000e-01 -1.9706550000e+00  1.5036180000e+00 -1.5569990000e+00 -2.3332810000e+00  1.9252710000e+00 -4.7398000000e-02 -2.4446720000e+00  1.9009300000e+00  7.9641100000e-01  2.0780110000e+00 -1.5403590000e+00  1.0771530000e+00  1.3881080000e+00 -9.3915200000e-01  2.2564600000e-01  1.6328880000e+00 -2.1667160000e+00
-ENERGY -1.526549438209e+02
-FORCES -5.9620000000e-04 -3.5536000000e-03  3.7180000000e-03  3.2741000000e-03  1.3691000000e-03 -1.7330000000e-03 -2.8947000000e-03  2.0591000000e-03 -1.7942000000e-03 -1.6550000000e-03 -5.0661000000e-03  3.9570000000e-04 -5.2420000000e-04  3.1547000000e-03 -2.7238000000e-03  2.3960000000e-03  2.0369000000e-03  2.1374000000e-03
-
-JOB 70
-COORDS -6.2581300000e-01  2.7594970000e+00 -1.7739100000e-01  1.5713600000e-01  2.2216760000e+00 -2.9559500000e-01 -1.1487130000e+00  2.2835820000e+00  4.6783200000e-01  5.7628100000e-01 -2.6579530000e+00  1.8767000000e-01  1.4313540000e+00 -3.0721030000e+00  3.0412500000e-01  3.3115700000e-01 -2.8630850000e+00 -7.1458600000e-01
-ENERGY -1.526549256465e+02
-FORCES  1.1023000000e-03 -4.5868000000e-03  2.3792000000e-03 -3.0510000000e-03  2.5791000000e-03  2.1180000000e-04  1.9227000000e-03  2.2784000000e-03 -2.6355000000e-03  2.4577000000e-03 -3.1429000000e-03 -3.1943000000e-03 -3.5098000000e-03  1.8350000000e-03 -5.2200000000e-04  1.0782000000e-03  1.0373000000e-03  3.7608000000e-03
-
-JOB 71
-COORDS  1.0485960000e+00  7.6080000000e-03  2.7745610000e+00  1.4452700000e-01  3.0939800000e-01  2.8629610000e+00  1.3585060000e+00 -8.8945000000e-02  3.6750410000e+00 -9.9704300000e-01  2.5099000000e-02 -2.8665840000e+00 -5.6379500000e-01 -2.8829300000e-01 -2.0726610000e+00 -1.8097730000e+00 -4.7859600000e-01 -2.9112430000e+00
-ENERGY -1.526544147698e+02
-FORCES -2.1592000000e-03  1.0642000000e-03  4.3603000000e-03  3.6211000000e-03 -1.4418000000e-03 -5.8860000000e-04 -1.3445000000e-03  3.7580000000e-04 -3.6825000000e-03 -1.1664000000e-03 -3.4041000000e-03  3.1374000000e-03 -2.1446000000e-03  1.3131000000e-03 -3.4262000000e-03  3.1935000000e-03  2.0928000000e-03  1.9950000000e-04
-
-JOB 72
-COORDS  3.5717000000e-02 -2.1879900000e-01  3.0916880000e+00 -5.2987200000e-01 -8.2807000000e-01  2.6172100000e+00 -4.9568000000e-02  6.0761900000e-01  2.6163020000e+00 -3.4733000000e-02  2.5930800000e-01 -3.0496480000e+00  9.0534500000e-01  2.3877200000e-01 -2.8705860000e+00 -3.0664700000e-01 -6.5760700000e-01 -3.0101380000e+00
-ENERGY -1.526543750194e+02
-FORCES -2.8730000000e-03  1.1126000000e-03 -3.8411000000e-03  2.4221000000e-03  2.3027000000e-03  1.9085000000e-03  4.9100000000e-04 -3.4683000000e-03  2.0331000000e-03  2.9363000000e-03 -3.8708000000e-03  3.8850000000e-04 -3.9916000000e-03  1.1490000000e-04 -5.7580000000e-04  1.0152000000e-03  3.8089000000e-03  8.6900000000e-05
-
-JOB 73
-COORDS -1.2221040000e+00  3.0335920000e+00  1.7722400000e+00 -1.2016870000e+00  2.8750570000e+00  2.7159990000e+00 -2.0602240000e+00  2.6704970000e+00  1.4859730000e+00  1.2231620000e+00 -3.0429940000e+00 -1.8246910000e+00  2.0925560000e+00 -3.0009860000e+00 -2.2229640000e+00  1.2223540000e+00 -2.3396010000e+00 -1.1754850000e+00
-ENERGY -1.526543122275e+02
-FORCES -3.5107000000e-03 -1.9657000000e-03  2.7222000000e-03 -1.3400000000e-05  5.8840000000e-04 -3.8826000000e-03  3.5086000000e-03  1.4365000000e-03  1.1742000000e-03  3.5802000000e-03  3.1871000000e-03  9.9250000000e-04 -3.5268000000e-03 -2.3760000000e-04  1.6128000000e-03 -3.7900000000e-05 -3.0088000000e-03 -2.6191000000e-03
-
-JOB 74
-COORDS  1.7645340000e+00 -2.3449840000e+00  2.6167470000e+00  2.0251700000e+00 -1.8532700000e+00  3.3955400000e+00  8.7461100000e-01 -2.6417610000e+00  2.8069890000e+00 -1.7109440000e+00  2.3781380000e+00 -2.7093480000e+00 -1.6175450000e+00  2.3877410000e+00 -1.7567640000e+00 -2.1344050000e+00  1.5412640000e+00 -2.9005420000e+00
-ENERGY -1.526540594855e+02
-FORCES -2.3966000000e-03  6.7940000000e-04  4.0617000000e-03 -1.1369000000e-03 -1.9797000000e-03 -3.2184000000e-03  3.5634000000e-03  1.3020000000e-03 -8.6430000000e-04 -1.1621000000e-03 -3.4785000000e-03  3.0978000000e-03 -4.9720000000e-04  2.8900000000e-05 -3.8572000000e-03  1.6294000000e-03  3.4479000000e-03  7.8050000000e-04
-
-JOB 75
-COORDS -1.1664880000e+00 -3.5323120000e+00 -1.3536240000e+00 -1.2483870000e+00 -3.9517350000e+00 -2.2101330000e+00 -2.5932300000e-01 -3.6926330000e+00 -1.0936590000e+00  1.1258790000e+00  3.5908180000e+00  1.3202090000e+00  1.8984180000e+00  3.4524730000e+00  1.8681840000e+00  3.9218100000e-01  3.3004600000e+00  1.8620670000e+00
-ENERGY -1.526540867665e+02
-FORCES  3.3999000000e-03 -2.2577000000e-03 -2.5410000000e-03  3.2270000000e-04  1.6608000000e-03  3.5157000000e-03 -3.7113000000e-03  5.9750000000e-04 -9.8940000000e-04  1.6000000000e-05 -1.8264000000e-03  4.4113000000e-03 -3.0946000000e-03  5.6510000000e-04 -2.2435000000e-03  3.0672000000e-03  1.2609000000e-03 -2.1531000000e-03
-
-JOB 76
-COORDS -6.5003600000e-01 -4.0085680000e+00 -7.7741900000e-01 -1.1440380000e+00 -3.2558840000e+00 -4.5236400000e-01  7.3231000000e-02 -4.1065170000e+00 -1.5812700000e-01  6.0329300000e-01  4.0246640000e+00  7.6213200000e-01  5.6779200000e-01  3.8225410000e+00 -1.7281100000e-01  1.2310040000e+00  3.3967160000e+00  1.1197520000e+00
-ENERGY -1.526540313998e+02
-FORCES  8.0480000000e-04  2.5288000000e-03  3.9155000000e-03  2.1226000000e-03 -3.0121000000e-03 -1.3721000000e-03 -2.9074000000e-03  4.8550000000e-04 -2.5642000000e-03  2.5041000000e-03 -3.2050000000e-03 -2.4284000000e-03  1.1130000000e-04  7.4430000000e-04  3.8826000000e-03 -2.6355000000e-03  2.4585000000e-03 -1.4333000000e-03
-
-JOB 77
-COORDS  9.3830000000e-02 -4.1320070000e+00 -8.1272500000e-01  9.9381100000e-01 -4.4431380000e+00 -9.1000100000e-01 -4.4704500000e-01 -4.8718570000e+00 -1.0889660000e+00 -6.7314000000e-02  4.1969250000e+00  7.7849700000e-01 -3.2790200000e-01  3.4113220000e+00  1.2592810000e+00 -5.1253100000e-01  4.9136470000e+00  1.2305200000e+00
-ENERGY -1.526541398649e+02
-FORCES  1.5137000000e-03 -4.2636000000e-03 -1.6198000000e-03 -3.6903000000e-03  1.2402000000e-03  4.3610000000e-04  2.1891000000e-03  3.0124000000e-03  1.1598000000e-03 -2.9045000000e-03 -4.6270000000e-04  3.7537000000e-03  1.0693000000e-03  3.3439000000e-03 -1.8926000000e-03  1.8227000000e-03 -2.8701000000e-03 -1.8372000000e-03
-
-JOB 78
-COORDS  9.7724600000e-01 -4.1847230000e+00 -2.9277200000e-01  3.5769500000e-01 -3.8203840000e+00 -9.2494700000e-01  1.2859590000e+00 -4.9947200000e+00 -6.9877000000e-01 -1.0033360000e+00  4.2195040000e+00  2.9439000000e-01 -4.6407700000e-01  4.8779540000e+00  7.3242400000e-01 -8.4239400000e-01  3.4129990000e+00  7.8416400000e-01
-ENERGY -1.526542322509e+02
-FORCES -1.2702000000e-03 -1.8685000000e-03 -4.2940000000e-03  2.5347000000e-03 -1.4632000000e-03  2.6285000000e-03 -1.2551000000e-03  3.3025000000e-03  1.6658000000e-03  2.9047000000e-03 -6.3840000000e-04  3.8355000000e-03 -2.2108000000e-03 -2.6503000000e-03 -1.7978000000e-03 -7.0320000000e-04  3.3178000000e-03 -2.0381000000e-03
-
-JOB 79
-COORDS  1.0886430000e+00 -5.8111200000e-01 -4.1305490000e+00  1.7878300000e+00  6.9996000000e-02 -4.1890960000e+00  1.1460450000e+00 -1.0694100000e+00 -4.9518300000e+00 -1.1877200000e+00  5.4573300000e-01  4.1883530000e+00 -9.4670200000e-01  1.4612390000e+00  4.3297430000e+00 -3.8232300000e-01  1.3040500000e-01  3.8800170000e+00
-ENERGY -1.526540550243e+02
-FORCES  3.0090000000e-03  6.3930000000e-04 -3.6625000000e-03 -2.8281000000e-03 -2.6493000000e-03  2.9910000000e-04 -2.0410000000e-04  2.0036000000e-03  3.3626000000e-03  4.2523000000e-03  1.9910000000e-03 -8.6990000000e-04 -9.7680000000e-04 -3.7055000000e-03 -5.1320000000e-04 -3.2522000000e-03  1.7210000000e-03  1.3839000000e-03
-
-JOB 80
-COORDS -1.5979400000e-01  2.1663000000e+00 -3.7422390000e+00  2.2451500000e-01  1.4150840000e+00 -4.1941380000e+00 -6.1959000000e-01  2.6497540000e+00 -4.4286000000e+00  1.5227100000e-01 -2.1780370000e+00  3.7445160000e+00  9.3598800000e-01 -2.3123620000e+00  4.2774110000e+00 -4.0857100000e-01 -1.6166230000e+00  4.2797760000e+00
-ENERGY -1.526540096105e+02
-FORCES -3.1120000000e-04 -1.2249000000e-03 -4.5714000000e-03 -1.5559000000e-03  3.1309000000e-03  1.7725000000e-03  1.8732000000e-03 -1.9329000000e-03  2.7975000000e-03  9.0010000000e-04  1.8880000000e-03  4.2752000000e-03 -3.1887000000e-03  4.9580000000e-04 -2.1555000000e-03  2.2825000000e-03 -2.3570000000e-03 -2.1183000000e-03
-
-JOB 81
-COORDS  1.9805630000e+00 -3.0891140000e+00 -2.7692100000e+00  1.4214450000e+00 -2.5763580000e+00 -3.3529050000e+00  1.7648480000e+00 -3.9999940000e+00 -2.9692000000e+00 -1.9101870000e+00  3.0622750000e+00  2.8288250000e+00 -2.2548600000e+00  3.7180010000e+00  3.4350060000e+00 -2.1124530000e+00  3.4089580000e+00  1.9598420000e+00
-ENERGY -1.526539561927e+02
-FORCES -3.2028000000e-03 -1.6125000000e-03 -3.0984000000e-03  2.2941000000e-03 -2.0867000000e-03  2.3303000000e-03  8.9570000000e-04  3.7116000000e-03  7.8110000000e-04 -2.1564000000e-03  4.0727000000e-03 -1.0747000000e-03  1.3878000000e-03 -2.6776000000e-03 -2.4752000000e-03  7.8170000000e-04 -1.4074000000e-03  3.5369000000e-03
-
-JOB 82
-COORDS -1.3879890000e+00 -2.2342800000e+00  4.5859830000e+00 -1.2779900000e+00 -1.2837900000e+00  4.6124570000e+00 -1.2388580000e+00 -2.4677000000e+00  3.6697370000e+00  1.4130600000e+00  2.2488440000e+00 -4.5525900000e+00  7.0951300000e-01  2.1977160000e+00 -3.9055660000e+00  1.4676790000e+00  1.3658280000e+00 -4.9180100000e+00
-ENERGY -1.526539795590e+02
-FORCES  1.0803000000e-03  2.9226000000e-03 -3.5583000000e-03 -4.6210000000e-04 -3.8892000000e-03 -1.5500000000e-04 -6.2130000000e-04  9.6870000000e-04  3.6968000000e-03 -2.6418000000e-03 -3.7835000000e-03  1.0468000000e-03  2.8797000000e-03  1.8120000000e-04 -2.5764000000e-03 -2.3480000000e-04  3.6002000000e-03  1.5462000000e-03
-
-JOB 83
-COORDS  1.6176160000e+00 -1.0314100000e+00 -5.0887170000e+00  1.4877580000e+00 -1.6011030000e+00 -5.8468840000e+00  9.0216700000e-01 -1.2565540000e+00 -4.4940120000e+00 -1.5666680000e+00  1.0361910000e+00  5.1589180000e+00 -8.5798100000e-01  1.4698240000e+00  4.6835680000e+00 -2.3517360000e+00  1.2266360000e+00  4.6454690000e+00
-ENERGY -1.526540897879e+02
-FORCES -3.4175000000e-03 -3.2951000000e-03 -7.0450000000e-04  5.1750000000e-04  2.3378000000e-03  3.1010000000e-03  2.9038000000e-03  9.6220000000e-04 -2.3988000000e-03 -2.7900000000e-04  2.5874000000e-03 -4.0092000000e-03 -2.9152000000e-03 -1.7887000000e-03  1.9324000000e-03  3.1903000000e-03 -8.0370000000e-04  2.0792000000e-03
-
-JOB 84
-COORDS -1.0329500000e-01 -2.7042700000e-01  5.4283480000e+00  7.6183900000e-01 -8.9063000000e-02  5.7956100000e+00 -4.9549300000e-01 -8.9720900000e-01  6.0362610000e+00  1.0681900000e-01  2.5586100000e-01 -5.5228510000e+00 -4.8161700000e-01  5.9579000000e-02 -4.7938460000e+00  1.2585300000e-01  1.2119350000e+00 -5.5651760000e+00
-ENERGY -1.526541630240e+02
-FORCES  1.9501000000e-03 -1.8386000000e-03  4.0048000000e-03 -3.5367000000e-03 -7.2810000000e-04 -1.5049000000e-03  1.5903000000e-03  2.5633000000e-03 -2.4871000000e-03 -2.3229000000e-03  3.0948000000e-03  2.8805000000e-03  2.3899000000e-03  7.9580000000e-04 -3.0251000000e-03 -7.0700000000e-05 -3.8873000000e-03  1.3180000000e-04
-
-JOB 85
-COORDS -3.6575600000e+00  4.8457640000e+00 -3.3834490000e+00 -3.8066840000e+00  4.1379490000e+00 -4.0103400000e+00 -2.7067460000e+00  4.9548120000e+00 -3.3663170000e+00  3.6150840000e+00 -4.7981660000e+00  3.4833420000e+00  3.6379760000e+00 -4.1892870000e+00  2.7451190000e+00  3.5948520000e+00 -5.6653640000e+00  3.0786330000e+00
-ENERGY -1.526540380475e+02
-FORCES  3.2581000000e-03 -2.4231000000e-03 -2.4832000000e-03  6.1840000000e-04  2.8792000000e-03  2.5591000000e-03 -3.8747000000e-03 -4.5920000000e-04 -7.3700000000e-05  6.9000000000e-06 -1.0626000000e-03 -4.6434000000e-03 -9.2500000000e-05 -2.4795000000e-03  2.9995000000e-03  8.3800000000e-05  3.5453000000e-03  1.6418000000e-03
-
-JOB 86
-COORDS -8.1405490000e+00  3.4136690000e+00 -7.7550900000e-01 -7.9787260000e+00  4.3563690000e+00 -7.3859100000e-01 -7.6277520000e+00  3.0536250000e+00 -5.1880000000e-02  8.1139160000e+00 -3.4230850000e+00  6.6878400000e-01  7.2691190000e+00 -3.7862890000e+00  9.3455300000e-01  8.6619510000e+00 -3.4933750000e+00  1.4504160000e+00
-ENERGY -1.526540695668e+02
-FORCES  2.7561000000e-03  2.3828000000e-03  3.0923000000e-03 -6.6240000000e-04 -3.8476000000e-03 -1.4530000000e-04 -2.0935000000e-03  1.4644000000e-03 -2.9466000000e-03 -1.2042000000e-03 -1.7815000000e-03  4.2650000000e-03  3.4434000000e-03  1.4896000000e-03 -1.0795000000e-03 -2.2395000000e-03  2.9230000000e-04 -3.1859000000e-03
-
-JOB 87
-COORDS  8.4888290000e+00  5.3471120000e+00  1.3849110000e+00  8.3628850000e+00  4.4311030000e+00  1.1373270000e+00  9.2095850000e+00  5.6483120000e+00  8.3171800000e-01 -8.5362690000e+00 -5.2547620000e+00 -1.3020440000e+00 -7.7069010000e+00 -5.4978360000e+00 -1.7135010000e+00 -9.1343360000e+00 -5.9669870000e+00 -1.5285040000e+00
-ENERGY -1.526540639235e+02
-FORCES  2.4201000000e-03 -2.5060000000e-03 -3.2646000000e-03  5.1770000000e-04  3.7355000000e-03  1.0083000000e-03 -2.9384000000e-03 -1.2301000000e-03  2.2561000000e-03  9.4060000000e-04 -3.8939000000e-03 -2.5987000000e-03 -3.3816000000e-03  9.9000000000e-04  1.6767000000e-03  2.4416000000e-03  2.9044000000e-03  9.2230000000e-04
-
-JOB 88
-COORDS  1.0590259000e+01  3.5753880000e+00 -3.5520080000e+00  9.7799300000e+00  3.5231260000e+00 -3.0451870000e+00  1.0859720000e+01  4.4910510000e+00 -3.4800070000e+00 -1.0532002000e+01 -3.5755540000e+00  3.4847890000e+00 -1.0247615000e+01 -4.4581220000e+00  3.7223390000e+00 -1.1379516000e+01 -3.4719060000e+00  3.9174650000e+00
-ENERGY -1.526540806925e+02
-FORCES -2.2142000000e-03  3.5208000000e-03  2.3603000000e-03  3.3098000000e-03  2.1400000000e-04 -2.0665000000e-03 -1.0952000000e-03 -3.7345000000e-03 -2.9370000000e-04 -2.2995000000e-03 -3.1815000000e-03  2.7315000000e-03 -1.1590000000e-03  3.6020000000e-03 -9.6770000000e-04  3.4581000000e-03 -4.2080000000e-04 -1.7639000000e-03
-
-JOB 89
-COORDS  1.1699523000e+01  1.3105960000e+00 -4.5461600000e-01  1.2191955000e+01  1.5299780000e+00 -1.2455740000e+00  1.1153816000e+01  2.0797110000e+00 -2.9060900000e-01 -1.1756909000e+01 -1.3694110000e+00  4.9731200000e-01 -1.1140375000e+01 -1.8487560000e+00  1.0507980000e+00 -1.1203895000e+01 -9.0033800000e-01 -1.2749000000e-01
-ENERGY -1.526540761028e+02
-FORCES -2.0680000000e-04  4.0342000000e-03 -2.5564000000e-03 -2.0133000000e-03 -8.9530000000e-04  3.2260000000e-03  2.2202000000e-03 -3.1393000000e-03 -6.6940000000e-04  4.7715000000e-03 -4.6500000000e-05 -2.8920000000e-04 -2.5154000000e-03  1.9576000000e-03 -2.2586000000e-03 -2.2563000000e-03 -1.9108000000e-03  2.5477000000e-03
-
-JOB 0
-COORDS  1.2006240000e+00 -3.4303500000e-01 -3.9081100000e-01  3.6947000000e-01 -1.1771700000e-01  2.7097000000e-02  1.1645400000e+00 -1.2933130000e+00 -4.9990800000e-01 -1.0980940000e+00  3.4935700000e-01  3.3799000000e-01 -1.0784830000e+00  1.2803060000e+00  5.5975700000e-01 -1.9371580000e+00  3.9153000000e-02  6.7854300000e-01
-ENERGY -1.526542534045e+02
-FORCES -2.3355500000e-02  3.2273000000e-03  6.5912000000e-03  4.7142000000e-03  3.7382000000e-03 -5.2880000000e-04 -1.2117000000e-03  2.1196000000e-03  7.6430000000e-04  1.6516500000e-02 -6.4093000000e-03 -4.3394000000e-03 -2.7050000000e-04 -6.2367000000e-03 -5.3120000000e-04  3.6069000000e-03  3.5609000000e-03 -1.9561000000e-03
-
-JOB 1
-COORDS -1.0989680000e+00  3.7067100000e-01  6.4480300000e-01 -1.5754440000e+00 -4.5262600000e-01  5.3810500000e-01 -2.5002000000e-01  2.1185000000e-01  2.3213600000e-01  1.0585120000e+00 -2.4944400000e-01 -6.2939300000e-01  9.2648400000e-01 -1.0663540000e+00 -1.1104950000e+00  1.5362190000e+00 -5.0935000000e-01  1.5831100000e-01
-ENERGY -1.526545067991e+02
-FORCES  1.8213000000e-02 -6.7209000000e-03 -1.4310000000e-02  2.3754000000e-03  1.3356000000e-03 -3.6790000000e-04 -2.8651000000e-03  3.2160000000e-04  9.3383000000e-03 -1.0672700000e-02 -1.1343000000e-03  4.7482000000e-03  4.3030000000e-04  3.9995000000e-03  4.0857000000e-03 -7.4809000000e-03  2.1985000000e-03 -3.4944000000e-03
-
-JOB 2
-COORDS  1.0057930000e+00  3.4337200000e-01 -7.9303200000e-01  2.1182300000e-01 -2.2586000000e-02 -4.0326400000e-01  8.0516000000e-01  4.1224100000e-01 -1.7264320000e+00 -9.5316100000e-01 -2.6378300000e-01  7.9579300000e-01 -4.6805000000e-01 -4.4154500000e-01  1.6015840000e+00 -1.3104260000e+00 -1.1136630000e+00  5.3830900000e-01
-ENERGY -1.526570106560e+02
-FORCES -1.5897100000e-02 -2.8707000000e-03  1.1285800000e-02  7.4020000000e-03 -2.1767000000e-03 -7.4829000000e-03 -2.1236000000e-03 -1.5450000000e-03  3.7478000000e-03  8.9434000000e-03  1.2281000000e-03 -1.0750000000e-03 -3.1958000000e-03 -9.4400000000e-05 -5.2033000000e-03  4.8711000000e-03  5.4588000000e-03 -1.2724000000e-03
-
-JOB 3
-COORDS  7.1902100000e-01  9.5718800000e-01 -6.0758700000e-01  7.2975000000e-01  1.0801950000e+00 -1.5567890000e+00  3.4044000000e-02  3.0558100000e-01 -4.5776100000e-01 -6.9087300000e-01 -9.0362200000e-01  5.8657000000e-01 -1.0512510000e+00 -5.3208200000e-01  1.3917520000e+00 -1.2980000000e-01 -1.6202260000e+00  8.8306200000e-01
-ENERGY -1.526594960445e+02
-FORCES -8.8811000000e-03 -1.1154700000e-02  6.2757000000e-03 -1.6437000000e-03 -2.7963000000e-03  3.3267000000e-03  3.9672000000e-03  7.5713000000e-03 -5.7422000000e-03  8.1811000000e-03  5.9904000000e-03  7.6200000000e-05  2.0877000000e-03 -2.6428000000e-03 -3.6524000000e-03 -3.7113000000e-03  3.0321000000e-03 -2.8400000000e-04
-
-JOB 4
-COORDS  5.7367300000e-01 -1.2830000000e-03  1.1254590000e+00  1.4386730000e+00 -2.6156300000e-01  1.4420990000e+00 -3.9426000000e-02 -4.2874200000e-01  1.7234720000e+00 -6.3322500000e-01  3.8612000000e-02 -1.2310800000e+00  3.0041400000e-01 -1.7203600000e-01 -1.2443810000e+00 -7.9615300000e-01  3.5079800000e-01 -3.4100900000e-01
-ENERGY -1.526540099679e+02
-FORCES -2.8823000000e-03 -2.6484000000e-03 -4.4341000000e-03 -4.2533000000e-03  2.0030000000e-04 -2.4980000000e-03  2.0239000000e-03  3.3850000000e-03 -4.0615000000e-03  1.1456600000e-02 -3.4400000000e-05  1.4904900000e-02 -5.3520000000e-04 -5.7400000000e-04 -4.6012000000e-03 -5.8098000000e-03 -3.2840000000e-04  6.8980000000e-04
-
-JOB 5
-COORDS -8.2560000000e-03 -8.4002300000e-01 -9.3883900000e-01  1.3556500000e-01 -6.9304500000e-01 -1.8736890000e+00  2.0559000000e-02 -1.7914900000e+00 -8.3827300000e-01 -4.8911000000e-02  9.4317200000e-01  1.0066070000e+00  8.4419900000e-01  7.7121100000e-01  1.3049640000e+00 -2.1826300000e-01  2.6495300000e-01  3.5271800000e-01
-ENERGY -1.526586772023e+02
-FORCES  9.5600000000e-05  6.4692000000e-03  4.6431000000e-03 -2.7350000000e-04 -3.1105000000e-03  4.3274000000e-03  6.9920000000e-04  5.0014000000e-03 -1.4740000000e-03  3.0261000000e-03 -1.2123800000e-02 -1.2709200000e-02 -2.0290000000e-03  3.2320000000e-04 -2.8460000000e-04 -1.5184000000e-03  3.4404000000e-03  5.4973000000e-03
-
-JOB 6
-COORDS -6.3366600000e-01 -3.1628000000e-02 -1.1961470000e+00 -3.9560200000e-01 -2.9353300000e-01 -3.0678600000e-01 -4.7405500000e-01 -8.1200000000e-01 -1.7269740000e+00  5.9986700000e-01  2.3308000000e-02  1.1609000000e+00  1.0942220000e+00  6.4763500000e-01  6.2980600000e-01  3.2034000000e-01  5.2699800000e-01  1.9253560000e+00
-ENERGY -1.526603571742e+02
-FORCES  3.9335000000e-03 -3.0319000000e-03  1.2770200000e-02 -8.9650000000e-04  1.7064000000e-03 -1.0021600000e-02  7.0500000000e-04  2.1390000000e-03  3.2899000000e-03 -1.8841000000e-03  4.8235000000e-03 -4.9617000000e-03 -3.7672000000e-03 -4.1774000000e-03  3.2028000000e-03  1.9094000000e-03 -1.4596000000e-03 -4.2797000000e-03
-
-JOB 7
-COORDS -1.0889820000e+00  8.4988000000e-01  5.0956000000e-02 -5.3931900000e-01  1.6327600000e+00  8.5636000000e-02 -4.7095700000e-01  1.2747200000e-01 -6.0415000000e-02  9.6399300000e-01 -8.8314100000e-01 -2.3465000000e-02  1.2236350000e+00 -7.3707200000e-01 -9.3312600000e-01  1.6795300000e+00 -5.1214600000e-01  4.9286900000e-01
-ENERGY -1.526574560963e+02
-FORCES  1.4924000000e-02 -1.0339100000e-02  1.1128000000e-03 -6.3520000000e-04 -2.3222000000e-03 -2.2490000000e-04 -6.5555000000e-03  5.9448000000e-03 -4.1676000000e-03 -6.2890000000e-04  6.1097000000e-03  1.3357000000e-03 -3.5828000000e-03  1.7763000000e-03  5.9276000000e-03 -3.5215000000e-03 -1.1695000000e-03 -3.9836000000e-03
-
-JOB 8
-COORDS  9.2100000000e-04  1.2732590000e+00  5.3984400000e-01 -3.4587900000e-01  4.3666900000e-01  2.2988000000e-01  7.0408000000e-01  1.0328230000e+00  1.1431610000e+00 -5.3489000000e-02 -1.1821580000e+00 -5.1223100000e-01 -1.5952800000e-01 -2.0932450000e+00 -7.8592500000e-01  6.5102600000e-01 -8.4566600000e-01 -1.0660040000e+00
-ENERGY -1.526590060398e+02
-FORCES -1.1511000000e-03 -1.3732100000e-02 -4.8690000000e-04  3.1730000000e-03  6.2230000000e-03 -1.3590000000e-03 -1.0028000000e-03  1.2301000000e-03 -2.3852000000e-03  5.0210000000e-04  4.1569000000e-03  3.4890000000e-04  2.7107000000e-03  4.5213000000e-03  2.6470000000e-04 -4.2320000000e-03 -2.3991000000e-03  3.6176000000e-03
-
-JOB 9
-COORDS -1.0496350000e+00  6.9469700000e-01  3.2700000000e-01 -6.9640700000e-01  1.5160760000e+00  6.6875700000e-01 -1.5080140000e+00  3.0285400000e-01  1.0703570000e+00  1.0295420000e+00 -7.6658800000e-01 -4.3131800000e-01  5.0599900000e-01 -1.8419200000e-01  1.1909100000e-01  1.9365420000e+00 -5.4334100000e-01 -2.2216500000e-01
-ENERGY -1.526561593744e+02
-FORCES  5.6690000000e-04 -1.3846000000e-03 -1.8280000000e-04  1.2430000000e-03 -7.0816000000e-03 -1.5821000000e-03  4.4604000000e-03  2.0326000000e-03 -3.9549000000e-03 -1.1673300000e-02  8.1171000000e-03  3.9612000000e-03  1.0186500000e-02 -3.4133000000e-03  1.1470000000e-03 -4.7835000000e-03  1.7299000000e-03  6.1160000000e-04
-
-JOB 10
-COORDS -1.2209240000e+00  4.3669100000e-01 -4.1157800000e-01 -1.5104590000e+00  1.3213490000e+00 -1.8845900000e-01 -3.1924200000e-01  3.9190100000e-01 -9.3466000000e-02  1.1434260000e+00 -4.2441100000e-01  3.7274600000e-01  2.0069100000e+00 -5.3346400000e-01 -2.5669000000e-02  1.0437500000e+00 -1.1873680000e+00  9.4212600000e-01
-ENERGY -1.526597623114e+02
-FORCES  1.3237100000e-02 -3.4367000000e-03  3.8931000000e-03  3.0984000000e-03 -2.6971000000e-03  9.9500000000e-05 -8.2765000000e-03  3.8822000000e-03 -8.6370000000e-04 -6.9049000000e-03 -3.9240000000e-04 -3.1792000000e-03 -3.6736000000e-03 -8.3980000000e-04  2.9559000000e-03  2.5195000000e-03  3.4838000000e-03 -2.9056000000e-03
-
-JOB 11
-COORDS  6.7418200000e-01 -4.2458900000e-01 -9.9642100000e-01  9.5727900000e-01  1.2629400000e-01 -1.7262260000e+00  3.8575800000e-01 -1.2390640000e+00 -1.4083350000e+00 -7.0555300000e-01  3.9507500000e-01  1.1028380000e+00 -5.8187100000e-01  1.3226020000e+00  1.3044020000e+00 -2.6618900000e-01  2.7167100000e-01  2.6143400000e-01
-ENERGY -1.526589206190e+02
-FORCES -5.0037000000e-03 -1.1300000000e-05  3.9165000000e-03 -2.1666000000e-03 -2.7825000000e-03  4.0453000000e-03  2.2818000000e-03  4.9349000000e-03  7.8380000000e-04  9.4477000000e-03 -4.0681000000e-03 -1.2876100000e-02  8.4370000000e-04 -2.5828000000e-03 -2.5908000000e-03 -5.4030000000e-03  4.5097000000e-03  6.7213000000e-03
-
-JOB 12
-COORDS  7.4039200000e-01 -1.0299030000e+00  3.7549400000e-01  3.8390100000e-01 -1.8970380000e+00  5.6842600000e-01  9.8029200000e-01 -1.0696010000e+00 -5.5030500000e-01 -7.9875600000e-01  1.0931650000e+00 -3.5094600000e-01 -9.9750000000e-03  1.5643690000e+00 -6.1931800000e-01 -4.8281800000e-01  4.2015800000e-01  2.5194400000e-01
-ENERGY -1.526586964198e+02
-FORCES -3.0665000000e-03  6.3590000000e-04 -6.3997000000e-03  1.0072000000e-03  4.7339000000e-03 -1.5872000000e-03 -5.4110000000e-04  4.1300000000e-04  5.0830000000e-03  1.0283300000e-02 -9.4053000000e-03  6.1172000000e-03 -2.0749000000e-03 -2.0934000000e-03 -6.6980000000e-04 -5.6080000000e-03  5.7161000000e-03 -2.5435000000e-03
-
-JOB 13
-COORDS  1.1842620000e+00  2.5797500000e-01  5.8809000000e-01  1.3613460000e+00  2.0614000000e-02  1.4983280000e+00  4.7465200000e-01  8.9822000000e-01  6.4072900000e-01 -1.1894220000e+00 -2.5903000000e-01 -6.9727500000e-01 -2.4826600000e-01 -4.3064600000e-01 -6.6557700000e-01 -1.5094510000e+00 -5.1581900000e-01  1.6752100000e-01
-ENERGY -1.526576148373e+02
-FORCES -5.4949000000e-03  2.0026000000e-03  1.4929000000e-03 -2.6506000000e-03  1.3928000000e-03 -3.9567000000e-03  3.3498000000e-03 -5.7586000000e-03 -6.4000000000e-06  1.0186100000e-02 -4.0888000000e-03  6.6056000000e-03 -6.0520000000e-03  3.5702000000e-03 -2.2071000000e-03  6.6160000000e-04  2.8818000000e-03 -1.9284000000e-03
-
-JOB 14
-COORDS -9.8795400000e-01  8.6573800000e-01 -1.1547100000e-01 -1.3624340000e+00  1.1408660000e+00 -9.5231100000e-01 -4.2059800000e-01  1.5917530000e+00  1.4383800000e-01  1.0314990000e+00 -9.1813800000e-01  1.0458400000e-01  8.6930500000e-01 -1.6017820000e+00  7.5462700000e-01  2.8042600000e-01 -3.2987300000e-01  1.8246800000e-01
-ENERGY -1.526596639423e+02
-FORCES  3.8891000000e-03 -1.5648000000e-03 -4.8133000000e-03  1.5687000000e-03  6.3960000000e-04  4.7272000000e-03 -1.6875000000e-03 -6.4984000000e-03 -1.5215000000e-03 -1.2480100000e-02  6.6040000000e-03 -1.0034000000e-03 -8.6700000000e-04  2.9007000000e-03 -1.7880000000e-03  9.5769000000e-03 -2.0811000000e-03  4.3990000000e-03
-
-JOB 15
-COORDS  4.5717200000e-01  1.0217130000e+00  6.4039200000e-01  5.0337100000e-01  1.9577980000e+00  8.3492200000e-01  1.3585980000e+00  7.1289600000e-01  7.3147000000e-01 -5.0468800000e-01 -1.1157880000e+00 -6.1706700000e-01 -4.5761100000e-01 -2.0444300000e-01 -3.2816300000e-01 -6.7830600000e-01 -1.0609800000e+00 -1.5567930000e+00
-ENERGY -1.526600493678e+02
-FORCES  1.4454000000e-03 -4.9256000000e-03 -1.9475000000e-03  1.1730000000e-03 -4.6118000000e-03 -1.0271000000e-03 -4.0354000000e-03  3.9342000000e-03  1.0460000000e-04  2.6537000000e-03  1.1530100000e-02  4.1491000000e-03 -2.2119000000e-03 -7.3304000000e-03 -4.4629000000e-03  9.7510000000e-04  1.4034000000e-03  3.1837000000e-03
-
-JOB 16
-COORDS -8.7032200000e-01 -9.0982700000e-01 -4.0554700000e-01 -1.0947010000e+00 -1.8323050000e+00 -5.2769700000e-01 -1.0110580000e+00 -7.5015000000e-01  5.2768900000e-01  8.8751800000e-01  1.0068430000e+00  3.9142300000e-01  1.8229700000e-01  5.0735200000e-01 -2.0163000000e-02  1.6850660000e+00  5.3001400000e-01  1.6167800000e-01
-ENERGY -1.526563121453e+02
-FORCES  3.4585000000e-03  2.1200000000e-05  3.0244000000e-03  6.8260000000e-04  4.0257000000e-03  2.2597000000e-03  3.8262000000e-03  2.7296000000e-03 -7.3654000000e-03 -2.8797000000e-03 -1.0254900000e-02 -8.3099000000e-03 -3.6149000000e-03  1.5677000000e-03  8.9906000000e-03 -1.4729000000e-03  1.9107000000e-03  1.4006000000e-03
-
-JOB 17
-COORDS  6.0608900000e-01 -1.2809620000e+00 -8.0997000000e-02  1.1187370000e+00 -7.4306400000e-01 -6.8439500000e-01  1.7019200000e-01 -6.5001200000e-01  4.9182700000e-01 -5.5232600000e-01  1.2365600000e+00  5.5441000000e-02 -7.5440700000e-01  1.1184810000e+00  9.8358600000e-01 -1.3319840000e+00  9.2156900000e-01 -4.0188400000e-01
-ENERGY -1.526539676250e+02
-FORCES -2.2523000000e-03  1.5967400000e-02 -1.9334000000e-03  1.2520000000e-04 -4.3424000000e-03  2.0350000000e-04 -2.5805000000e-03 -3.6048000000e-03  5.0665000000e-03 -3.2142000000e-03 -4.7891000000e-03 -9.3770000000e-04  3.6334000000e-03 -4.5819000000e-03 -5.4252000000e-03  4.2885000000e-03  1.3508000000e-03  3.0262000000e-03
-
-JOB 18
-COORDS -7.0715700000e-01 -9.6170800000e-01 -5.5457200000e-01 -1.3988110000e+00 -1.5850020000e+00 -3.3242100000e-01 -1.0078610000e+00 -5.4781700000e-01 -1.3635860000e+00  8.1994400000e-01  9.8120200000e-01  6.0134200000e-01  3.4622900000e-01  2.5208700000e-01  2.0107000000e-01  1.6265900000e-01  1.6703280000e+00  6.9784800000e-01
-ENERGY -1.526595508088e+02
-FORCES -9.1300000000e-05  2.0062000000e-03  2.5085000000e-03  2.2978000000e-03  3.3358000000e-03 -3.1020000000e-03  1.1463000000e-03 -1.3851000000e-03  5.4307000000e-03 -9.8584000000e-03 -9.4204000000e-03 -3.7562000000e-03  5.0600000000e-03  7.4005000000e-03 -7.1100000000e-05  1.4457000000e-03 -1.9372000000e-03 -1.0098000000e-03
-
-JOB 19
-COORDS  5.1605100000e-01  3.5669100000e-01  1.1737400000e+00  1.4555990000e+00  3.5060900000e-01  9.9086100000e-01  4.2460800000e-01 -1.5564800000e-01  1.9770950000e+00 -6.2325700000e-01 -3.6004900000e-01 -1.2253890000e+00  1.7681600000e-01 -3.3617300000e-01 -1.7503130000e+00 -3.9725200000e-01  1.0866400000e-01 -4.2198300000e-01
-ENERGY -1.526587003039e+02
-FORCES  1.2240000000e-04 -5.6952000000e-03 -1.9778000000e-03 -4.7746000000e-03 -3.3210000000e-04  2.4060000000e-04  2.0074000000e-03  2.8260000000e-03 -3.3465000000e-03  7.2568000000e-03  3.8474000000e-03  1.1499100000e-02 -1.5426000000e-03 -6.8000000000e-06  2.0803000000e-03 -3.0693000000e-03 -6.3930000000e-04 -8.4957000000e-03
-
-JOB 20
-COORDS -1.0356200000e-01 -8.1875200000e-01  1.1359380000e+00 -2.0923800000e-01 -3.0922400000e-01  3.3254200000e-01 -9.8261500000e-01 -8.5780100000e-01  1.5127310000e+00  1.2429900000e-01  7.8761600000e-01 -1.0612190000e+00 -4.6620000000e-03  3.8547300000e-01 -1.9202190000e+00  9.6883600000e-01  1.2330150000e+00 -1.1291010000e+00
-ENERGY -1.526610767880e+02
-FORCES -4.9760000000e-04  8.4814000000e-03 -9.9201000000e-03 -2.5139000000e-03 -7.2462000000e-03  7.5731000000e-03  2.2364000000e-03  8.8040000000e-04 -2.6533000000e-03  4.2675000000e-03 -1.8960000000e-03  1.9633000000e-03  9.3350000000e-04  1.8411000000e-03  4.7045000000e-03 -4.4258000000e-03 -2.0607000000e-03 -1.6675000000e-03
-
-JOB 21
-COORDS  6.6572400000e-01 -1.2255730000e+00  1.4034100000e-01  3.7395800000e-01 -3.2579800000e-01  2.8700400000e-01  1.3015260000e+00 -1.3882840000e+00  8.3712800000e-01 -6.3908500000e-01  1.1588190000e+00 -1.3794000000e-01 -1.5040750000e+00  8.3787300000e-01 -3.9292800000e-01 -4.8821300000e-01  1.9167170000e+00 -7.0279500000e-01
-ENERGY -1.526610167803e+02
-FORCES -3.5600000000e-03  1.0596000000e-02  1.0740000000e-04  3.3143000000e-03 -9.4361000000e-03  2.6734000000e-03 -2.2257000000e-03  2.4069000000e-03 -2.0332000000e-03  3.7370000000e-04 -3.0930000000e-03 -4.0248000000e-03  4.3335000000e-03  2.6717000000e-03  9.7720000000e-04 -2.2356000000e-03 -3.1455000000e-03  2.3000000000e-03
-
-JOB 22
-COORDS  8.0561800000e-01  7.5836900000e-01  7.2747100000e-01  1.6564180000e+00  6.0767700000e-01  3.1556800000e-01  1.0165800000e+00  1.1127360000e+00  1.5912710000e+00 -8.6022500000e-01 -8.3237600000e-01 -7.7332000000e-01 -1.3212770000e+00 -1.1571100000e-01 -1.2092710000e+00 -4.5822700000e-01 -4.2694300000e-01 -5.0400000000e-03
-ENERGY -1.526607184442e+02
-FORCES  1.9628000000e-03 -1.9307000000e-03 -1.9994000000e-03 -3.7818000000e-03  1.5672000000e-03  3.5080000000e-03 -2.0150000000e-04 -1.6621000000e-03 -4.6765000000e-03  5.1480000000e-03  9.9587000000e-03  6.8716000000e-03  1.0945000000e-03 -2.2469000000e-03  6.9570000000e-04 -4.2220000000e-03 -5.6862000000e-03 -4.3995000000e-03
-
-JOB 23
-COORDS -1.2330720000e+00  5.1957900000e-01 -5.4981200000e-01 -3.1089800000e-01  4.7393800000e-01 -2.9733900000e-01 -1.7125350000e+00  3.9982000000e-01  2.6994700000e-01  1.1725050000e+00 -4.9932100000e-01  4.3247600000e-01  8.7669400000e-01 -7.8006200000e-01  1.2984510000e+00  2.1202430000e+00 -4.0024100000e-01  5.2306900000e-01
-ENERGY -1.526586234675e+02
-FORCES  9.7626000000e-03 -3.9213000000e-03  5.2977000000e-03 -7.9565000000e-03  3.5637000000e-03 -1.5213000000e-03  1.9142000000e-03 -2.7340000000e-04 -1.8523000000e-03  5.0400000000e-05 -9.2400000000e-04  2.0106000000e-03  1.1109000000e-03  2.6367000000e-03 -4.2608000000e-03 -4.8817000000e-03 -1.0817000000e-03  3.2620000000e-04
-
-JOB 24
-COORDS -6.1279000000e-01 -1.1789920000e+00  3.1295800000e-01 -3.9173900000e-01 -1.1559890000e+00  1.2439990000e+00 -1.5585530000e+00 -1.3253470000e+00  2.9439000000e-01  6.6595500000e-01  1.2515480000e+00 -4.0023000000e-01 -1.0314400000e-01  6.8198100000e-01 -3.8255400000e-01  1.3225920000e+00  7.8421900000e-01  1.1616400000e-01
-ENERGY -1.526580858298e+02
-FORCES -8.0490000000e-04 -2.7820000000e-04  3.9639000000e-03 -4.8070000000e-04  6.2740000000e-04 -5.1395000000e-03  4.9597000000e-03  2.2778000000e-03 -7.0000000000e-05 -3.6395000000e-03 -1.2991900000e-02  2.9193000000e-03  6.5270000000e-04  7.8192000000e-03 -1.6230000000e-03 -6.8740000000e-04  2.5457000000e-03 -5.0700000000e-05
-
-JOB 25
-COORDS  3.1240500000e-01  6.9385000000e-01  1.1857190000e+00  1.6485800000e-01  1.5649470000e+00  1.5540290000e+00  4.1179500000e-01  8.4443600000e-01  2.4567800000e-01 -3.1268000000e-01 -7.0303500000e-01 -1.2024250000e+00 -4.2703900000e-01 -1.6476380000e+00 -1.3067330000e+00 -1.4747400000e-01 -5.8311700000e-01 -2.6724700000e-01
-ENERGY -1.526553663553e+02
-FORCES -1.4375000000e-03  5.2330000000e-03 -2.6842000000e-03  1.5606000000e-03 -3.1702000000e-03 -2.0723000000e-03 -4.5412000000e-03 -1.0637900000e-02  4.1888000000e-03 -8.2060000000e-04 -3.6213000000e-03  5.9623000000e-03  8.2000000000e-06  3.3674000000e-03  1.0580000000e-03  5.2304000000e-03  8.8291000000e-03 -6.4526000000e-03
-
-JOB 26
-COORDS -9.7555400000e-01  6.3939800000e-01  7.6230800000e-01 -1.7618840000e+00  9.4903000000e-02  8.0030500000e-01 -1.1657290000e+00  1.2886730000e+00  8.5175000000e-02  1.0505550000e+00 -7.0517200000e-01 -7.0428200000e-01  1.6000100000e-01 -3.6499200000e-01 -6.1812400000e-01  1.5264280000e+00 -1.6930000000e-02 -1.1691480000e+00
-ENERGY -1.526545988841e+02
-FORCES -2.5714000000e-03  1.1094000000e-03  1.0271000000e-03  5.3765000000e-03  2.1665000000e-03 -1.9654000000e-03  3.3838000000e-03 -6.0374000000e-03  1.1887000000e-03 -6.3867000000e-03  7.4585000000e-03  5.7702000000e-03  2.6434000000e-03 -2.9302000000e-03 -7.6173000000e-03 -2.4456000000e-03 -1.7668000000e-03  1.5966000000e-03
-
-JOB 27
-COORDS -2.0790000000e-02 -7.9925800000e-01  1.2272370000e+00 -1.7981100000e-01 -3.5049600000e-01  3.9684100000e-01 -2.7370200000e-01 -1.6300100000e-01  1.8961500000e+00  6.1230000000e-02  7.1114900000e-01 -1.1631310000e+00 -6.1971700000e-01  1.3752500000e+00 -1.2704260000e+00  3.9489100000e-01  5.6437200000e-01 -2.0482060000e+00
-ENERGY -1.526600747783e+02
-FORCES  6.5330000000e-04  7.4383000000e-03 -8.0721000000e-03 -2.6027000000e-03 -3.9998000000e-03  8.4551000000e-03  2.4240000000e-04 -1.3905000000e-03 -2.5682000000e-03  7.0410000000e-04 -6.2520000000e-04 -2.4888000000e-03  3.3299000000e-03 -3.7195000000e-03  1.0832000000e-03 -2.3271000000e-03  2.2967000000e-03  3.5909000000e-03
-
-JOB 28
-COORDS  5.5889600000e-01 -1.2565270000e+00  4.9346700000e-01 -4.5545000000e-02 -1.5729780000e+00  1.1648400000e+00  2.5484500000e-01 -3.7086000000e-01  2.9502800000e-01 -5.0041800000e-01  1.2036710000e+00 -4.5151400000e-01  5.2128000000e-02  1.8109890000e+00 -9.4354000000e-01 -1.1649560000e+00  9.2102500000e-01 -1.0797910000e+00
-ENERGY -1.526618195887e+02
-FORCES -5.0336000000e-03  1.0088400000e-02 -1.0814000000e-03  1.0850000000e-03  1.3929000000e-03 -2.5785000000e-03  3.3301000000e-03 -9.8188000000e-03  3.2076000000e-03  4.4230000000e-04 -2.6740000000e-04 -4.5369000000e-03 -3.3939000000e-03 -3.1015000000e-03  1.7426000000e-03  3.5700000000e-03  1.7066000000e-03  3.2466000000e-03
-
-JOB 29
-COORDS -8.6203300000e-01  4.6202200000e-01 -1.1031210000e+00 -3.8405000000e-01  2.2759200000e-01 -3.0762900000e-01 -1.6659560000e+00  8.7455100000e-01 -7.8727300000e-01  8.1846300000e-01 -4.6357700000e-01  1.0249850000e+00  1.3198120000e+00 -9.9145000000e-02  1.7544160000e+00  1.4577310000e+00 -9.6963200000e-01  5.2351100000e-01
-ENERGY -1.526617336923e+02
-FORCES  3.1684000000e-03 -1.6555000000e-03  9.3690000000e-03 -5.2016000000e-03  1.7330000000e-03 -8.7390000000e-03  2.7215000000e-03 -1.0479000000e-03 -2.9160000000e-04  3.8254000000e-03  4.5890000000e-04 -1.3400000000e-05 -1.4488000000e-03 -2.7064000000e-03 -3.3092000000e-03 -3.0650000000e-03  3.2179000000e-03  2.9842000000e-03
-
-JOB 30
-COORDS -6.8250600000e-01  1.3168720000e+00 -1.4632000000e-02 -1.0790200000e-01  5.5140000000e-01 -2.5298000000e-02 -8.4785400000e-01  1.5057210000e+00 -9.3833500000e-01  6.5296000000e-01 -1.2144650000e+00  5.8097000000e-02  3.9481900000e-01 -1.6100880000e+00  8.9061000000e-01  9.7024800000e-01 -1.9483400000e+00 -4.6819900000e-01
-ENERGY -1.526610104099e+02
-FORCES  4.8266000000e-03 -8.6786000000e-03 -3.7076000000e-03 -4.2761000000e-03  7.8800000000e-03  2.2515000000e-03  5.5180000000e-04 -5.3920000000e-04  2.4809000000e-03 -1.1805000000e-03 -2.3314000000e-03  1.0970000000e-04  1.7358000000e-03  1.5104000000e-03 -4.5504000000e-03 -1.6576000000e-03  2.1588000000e-03  3.4159000000e-03
-
-JOB 31
-COORDS -1.2071190000e+00 -9.2369400000e-01  2.8976000000e-02 -1.0830320000e+00 -1.9854500000e-01 -5.8339000000e-01 -5.5572700000e-01 -7.7341400000e-01  7.1405800000e-01  1.1711740000e+00  8.2431000000e-01  1.7746000000e-02  9.0491800000e-01  1.7412730000e+00  8.4962000000e-02  1.2419880000e+00  6.6332500000e-01 -9.2315900000e-01
-ENERGY -1.526566604426e+02
-FORCES  9.1066000000e-03  7.3383000000e-03  1.6230000000e-03 -2.0255000000e-03 -1.8534000000e-03 -1.5041000000e-03 -4.9357000000e-03 -3.5723000000e-03 -5.5300000000e-05  3.9140000000e-04  2.0827000000e-03 -3.7322000000e-03 -1.0930000000e-04 -5.1017000000e-03 -8.1070000000e-04 -2.4275000000e-03  1.1064000000e-03  4.4792000000e-03
-
-JOB 32
-COORDS  1.1863160000e+00  6.7465400000e-01 -6.3754600000e-01  1.7530970000e+00  3.6549200000e-01  6.9144000000e-02  3.0353600000e-01  6.4180800000e-01 -2.6896400000e-01 -1.1268280000e+00 -6.2678400000e-01  5.6684400000e-01 -2.0289500000e+00 -3.1506800000e-01  6.3922400000e-01 -1.1485660000e+00 -1.5113880000e+00  9.3185800000e-01
-ENERGY -1.526589635545e+02
-FORCES -6.4716000000e-03 -5.4848000000e-03  6.8083000000e-03 -5.4920000000e-04  8.9250000000e-04 -2.4956000000e-03  4.4575000000e-03  5.7523000000e-03 -3.3610000000e-03 -9.9470000000e-04 -4.0354000000e-03  5.1850000000e-04  4.6751000000e-03 -1.2301000000e-03 -5.5130000000e-04 -1.1171000000e-03  4.1055000000e-03 -9.1900000000e-04
-
-JOB 33
-COORDS -4.6453200000e-01 -2.8024200000e-01  1.3070450000e+00 -7.7497000000e-01  1.3706800000e-01  2.1106070000e+00 -1.0331100000e+00 -1.0424190000e+00  1.1973330000e+00  4.6104700000e-01  2.9226600000e-01 -1.3815160000e+00  1.2574520000e+00  7.5639200000e-01 -1.6395030000e+00  6.5299800000e-01 -4.5855000000e-02 -5.0683800000e-01
-ENERGY -1.526587128225e+02
-FORCES -4.4451000000e-03  8.6600000000e-04  1.1975000000e-03  5.4230000000e-04 -2.4908000000e-03 -3.0528000000e-03  3.0876000000e-03  3.3373000000e-03  1.0181000000e-03  9.4720000000e-04  1.9590000000e-04  7.3430000000e-03 -2.8159000000e-03 -1.3220000000e-03  1.7913000000e-03  2.6838000000e-03 -5.8640000000e-04 -8.2971000000e-03
-
-JOB 34
-COORDS -1.2535730000e+00 -7.3123800000e-01 -4.0281700000e-01 -1.7557850000e+00 -1.1008940000e+00  3.2338500000e-01 -4.3201000000e-01 -4.4367400000e-01 -4.6040000000e-03  1.1932190000e+00  7.3177800000e-01  3.8517400000e-01  1.8986040000e+00  1.2148400000e-01  1.7022200000e-01  1.2591050000e+00  1.4181650000e+00 -2.7872700000e-01
-ENERGY -1.526613293810e+02
-FORCES  5.7731000000e-03  3.9632000000e-03  5.5599000000e-03  2.3132000000e-03  1.2922000000e-03 -1.9987000000e-03 -7.3201000000e-03 -7.2304000000e-03 -3.5584000000e-03  3.6829000000e-03  3.5142000000e-03 -4.1336000000e-03 -5.1405000000e-03  2.1707000000e-03  7.2040000000e-04  6.9130000000e-04 -3.7099000000e-03  3.4105000000e-03
-
-JOB 35
-COORDS  8.8037000000e-01 -1.6451000000e-01  1.2075930000e+00  1.1602890000e+00 -1.0603830000e+00  1.3954430000e+00  3.9554800000e-01 -2.3205700000e-01  3.8502700000e-01 -8.0882500000e-01  2.0272800000e-01 -1.1446990000e+00 -1.0583560000e+00 -3.4300000000e-04 -2.0462130000e+00 -1.5707960000e+00  6.5324500000e-01 -7.8046300000e-01
-ENERGY -1.526614097673e+02
-FORCES -3.2743000000e-03 -2.2185000000e-03 -7.2705000000e-03 -1.0833000000e-03  2.6871000000e-03 -1.1597000000e-03  4.0687000000e-03 -6.3660000000e-04  9.0488000000e-03 -2.9354000000e-03  1.2606000000e-03 -2.1115000000e-03 -2.5660000000e-04  1.5854000000e-03  4.0455000000e-03  3.4810000000e-03 -2.6780000000e-03 -2.5527000000e-03
-
-JOB 36
-COORDS  5.0898100000e-01 -5.5440500000e-01  1.2894100000e+00 -6.7078000000e-02  1.2424100000e-01  1.6413020000e+00  1.3167950000e+00 -9.1723000000e-02  1.0667130000e+00 -5.3212600000e-01  4.8583700000e-01 -1.3582450000e+00 -7.3335100000e-01  1.1862140000e+00 -7.3759100000e-01 -1.6254300000e-01 -2.1357100000e-01 -8.1929300000e-01
-ENERGY -1.526571713722e+02
-FORCES  1.5518000000e-03  5.0218000000e-03  3.2123000000e-03  2.4499000000e-03 -2.4739000000e-03 -3.6930000000e-03 -5.3434000000e-03 -2.2281000000e-03 -4.9320000000e-04  1.3554000000e-03 -3.2322000000e-03  8.8308000000e-03  9.1290000000e-04 -1.4700000000e-03 -1.3235000000e-03 -9.2660000000e-04  4.3823000000e-03 -6.5334000000e-03
-
-JOB 37
-COORDS -5.5690000000e-01 -9.3093900000e-01  9.7549200000e-01 -1.4203080000e+00 -5.2458100000e-01  9.0043800000e-01 -2.7276500000e-01 -7.2791900000e-01  1.8667170000e+00  6.2942100000e-01  8.6224700000e-01 -1.0732130000e+00  6.5967000000e-01  1.7918730000e+00 -8.4713400000e-01 -6.6041000000e-02  5.0368400000e-01 -5.2185300000e-01
-ENERGY -1.526559165308e+02
-FORCES -1.2890000000e-04 -1.6260000000e-04  5.7426000000e-03  6.8975000000e-03  1.0389000000e-03 -2.4950000000e-03 -2.2108000000e-03 -8.3090000000e-04 -4.2408000000e-03 -2.8885000000e-03 -2.9189000000e-03  6.5740000000e-03 -5.6140000000e-04 -3.8029000000e-03  1.4650000000e-04 -1.1079000000e-03  6.6764000000e-03 -5.7273000000e-03
-
-JOB 38
-COORDS -1.8108600000e-01  1.0165190000e+00  1.0816330000e+00 -3.2613000000e-01  4.0272700000e-01  1.8016710000e+00 -9.3734900000e-01  1.6026070000e+00  1.1098660000e+00  2.1506100000e-01 -1.0737500000e+00 -1.1523880000e+00  3.2552500000e-01 -9.6384400000e-01 -2.0795700000e-01  3.5838300000e-01 -1.9921400000e-01 -1.5141560000e+00
-ENERGY -1.526569677104e+02
-FORCES -5.3052000000e-03  8.5330000000e-04  2.5151000000e-03  1.3908000000e-03  1.3055000000e-03 -4.8073000000e-03  3.6239000000e-03 -2.2816000000e-03  2.7820000000e-04  2.2170000000e-04  9.0681000000e-03  5.3494000000e-03  3.2780000000e-04 -5.1181000000e-03 -1.5235000000e-03 -2.5900000000e-04 -3.8271000000e-03 -1.8119000000e-03
-
-JOB 39
-COORDS  1.4316460000e+00 -2.2922700000e-01 -4.9581800000e-01  1.6691590000e+00  4.6570400000e-01  1.1809700000e-01  1.4300420000e+00  1.9763100000e-01 -1.3525680000e+00 -1.4933890000e+00  1.2429500000e-01  5.4756700000e-01 -1.4648920000e+00  1.0715220000e+00  4.1273000000e-01 -7.3010200000e-01 -2.0839500000e-01  7.5400000000e-02
-ENERGY -1.526591065006e+02
-FORCES  5.2432000000e-03  4.3038000000e-03 -7.7360000000e-04 -2.5324000000e-03 -2.9857000000e-03 -3.7222000000e-03 -1.5336000000e-03 -1.6418000000e-03  4.8967000000e-03  6.8546000000e-03  4.4680000000e-04 -3.8469000000e-03  4.3650000000e-04 -2.9239000000e-03  6.0010000000e-04 -8.4682000000e-03  2.8008000000e-03  2.8459000000e-03
-
-JOB 40
-COORDS -1.0468880000e+00 -1.2066720000e+00 -9.5112000000e-02 -4.9385800000e-01 -1.8792460000e+00 -4.9264700000e-01 -4.5022300000e-01 -4.7962500000e-01  8.2722000000e-02  9.4319400000e-01  1.1539330000e+00  1.0582100000e-01  1.7562390000e+00  1.3094220000e+00  5.8646000000e-01  7.3480200000e-01  1.9988040000e+00 -2.9292300000e-01
-ENERGY -1.526613342339e+02
-FORCES  7.1267000000e-03  3.8099000000e-03 -5.7230000000e-04 -1.8811000000e-03  1.7087000000e-03  1.3532000000e-03 -6.4285000000e-03 -6.9590000000e-03 -6.6820000000e-04  2.6719000000e-03  4.8139000000e-03  3.6660000000e-04 -3.3997000000e-03  1.0430000000e-04 -2.7208000000e-03  1.9107000000e-03 -3.4778000000e-03  2.2415000000e-03
-
-JOB 41
-COORDS  9.9842500000e-01 -6.9750600000e-01 -8.9407000000e-01  1.9503110000e+00 -6.6943800000e-01 -7.9733000000e-01  8.5179100000e-01 -6.5241800000e-01 -1.8388960000e+00 -1.0456750000e+00  7.2393800000e-01  9.9839400000e-01 -3.4436100000e-01  1.9295000000e-01  6.2097800000e-01 -1.7456630000e+00  6.9565000000e-01  3.4612900000e-01
-ENERGY -1.526603849221e+02
-FORCES  3.8375000000e-03  4.4550000000e-04 -4.4986000000e-03 -4.3583000000e-03 -2.0670000000e-04 -9.9780000000e-04  1.1025000000e-03 -4.1150000000e-04  4.0845000000e-03  3.1243000000e-03 -4.2883000000e-03 -6.7736000000e-03 -5.3569000000e-03  3.9319000000e-03  6.0977000000e-03  1.6508000000e-03  5.2910000000e-04  2.0877000000e-03
-
-JOB 42
-COORDS  1.3654090000e+00  2.5118800000e-01  6.8442800000e-01  1.2469450000e+00 -2.5021300000e-01  1.4911460000e+00  1.5874770000e+00  1.1338210000e+00  9.8087000000e-01 -1.4018670000e+00 -2.4530900000e-01 -7.9002200000e-01 -5.1468000000e-01 -5.9921500000e-01 -8.5231800000e-01 -1.6735710000e+00 -4.3539600000e-01  1.0790600000e-01
-ENERGY -1.526563131918e+02
-FORCES  4.9020000000e-04  4.0630000000e-03  4.1456000000e-03 -7.7850000000e-04  1.7009000000e-03 -4.0712000000e-03 -3.7680000000e-04 -4.1828000000e-03 -4.3140000000e-04  6.8515000000e-03 -2.4680000000e-04  5.0960000000e-03 -5.9534000000e-03 -1.4935000000e-03 -1.9370000000e-03 -2.3310000000e-04  1.5920000000e-04 -2.8020000000e-03
-
-JOB 43
-COORDS -7.7459300000e-01  1.2975720000e+00 -4.3099700000e-01 -2.4501300000e-01  1.5768060000e+00  3.1586600000e-01 -1.5942170000e+00  1.7833600000e+00 -3.3902300000e-01  7.7396900000e-01 -1.4092740000e+00  3.9299900000e-01  8.1329200000e-01 -7.4197700000e-01  1.0781270000e+00  1.0306330000e+00 -9.4851600000e-01 -4.0578700000e-01
-ENERGY -1.526534036997e+02
-FORCES -2.9376000000e-03  2.7955000000e-03  3.3769000000e-03 -8.3440000000e-04 -2.6298000000e-03 -2.9277000000e-03  3.6702000000e-03 -2.0015000000e-03 -1.8100000000e-04 -1.8419000000e-03  6.3497000000e-03 -2.5428000000e-03  5.9080000000e-04 -1.6444000000e-03 -1.6413000000e-03  1.3529000000e-03 -2.8694000000e-03  3.9160000000e-03
-
-JOB 44
-COORDS  7.3495200000e-01 -9.4839400000e-01 -1.1332440000e+00  1.2274000000e-01 -4.5117500000e-01 -5.9084000000e-01  8.0309600000e-01 -1.7991770000e+00 -6.9993600000e-01 -7.1135000000e-01  9.1233700000e-01  1.0397690000e+00 -1.2528480000e+00  1.2615290000e+00  1.7476370000e+00 -5.3210000000e-03  1.5509770000e+00  9.4030100000e-01
-ENERGY -1.526600884191e+02
-FORCES -4.2836000000e-03 -5.9550000000e-04  5.8064000000e-03  5.6616000000e-03 -2.6159000000e-03 -5.5534000000e-03  9.3700000000e-05  2.5550000000e-03 -1.8744000000e-03 -8.0500000000e-04  4.7454000000e-03  4.0752000000e-03  3.0703000000e-03 -5.9550000000e-04 -2.6157000000e-03 -3.7370000000e-03 -3.4935000000e-03  1.6200000000e-04
-
-JOB 45
-COORDS  3.8787800000e-01  1.3529870000e+00 -8.7236600000e-01 -3.0591000000e-02  1.4266770000e+00 -1.7300860000e+00  2.9014900000e-01  4.3056300000e-01 -6.3611300000e-01 -3.3569200000e-01 -1.2536970000e+00  9.2979900000e-01 -1.2194080000e+00 -1.4033810000e+00  5.9383200000e-01  1.0519800000e-01 -2.0974000000e+00  8.2974100000e-01
-ENERGY -1.526582918848e+02
-FORCES -1.6526000000e-03 -5.2212000000e-03  5.9420000000e-04  1.0802000000e-03 -8.7750000000e-04  3.3942000000e-03  8.4010000000e-04  6.7147000000e-03 -6.1676000000e-03 -3.0831000000e-03 -6.0493000000e-03  2.2155000000e-03  5.0308000000e-03  1.0818000000e-03  2.0260000000e-04 -2.2155000000e-03  4.3514000000e-03 -2.3880000000e-04
-
-JOB 46
-COORDS -7.7365400000e-01 -4.2488000000e-02 -1.4678060000e+00 -2.2133900000e-01 -4.4346700000e-01 -2.1389210000e+00 -1.7440900000e-01  1.4783600000e-01 -7.4606300000e-01  7.0977100000e-01  1.0340700000e-01  1.4226110000e+00  5.8901600000e-01  1.5530200000e-01  2.3707440000e+00  8.0296200000e-01 -8.3223900000e-01  1.2434090000e+00
-ENERGY -1.526584201320e+02
-FORCES  4.5369000000e-03  1.5892000000e-03  2.1904000000e-03 -1.8068000000e-03  9.6000000000e-04  3.1758000000e-03 -2.6827000000e-03 -3.8319000000e-03 -7.1491000000e-03 -8.5030000000e-04 -2.7772000000e-03  6.4567000000e-03  1.3127000000e-03 -1.1055000000e-03 -3.7215000000e-03 -5.0990000000e-04  5.1654000000e-03 -9.5230000000e-04
-
-JOB 47
-COORDS  5.2940000000e-03 -1.0719720000e+00  1.1575070000e+00 -6.9197600000e-01 -9.4739700000e-01  1.8013440000e+00  3.1803000000e-01 -1.9633740000e+00  1.3118810000e+00  3.5708000000e-02  1.1746550000e+00 -1.1768940000e+00  9.6108000000e-02  2.8559100000e-01 -8.2739700000e-01 -2.9985200000e-01  1.0606950000e+00 -2.0660750000e+00
-ENERGY -1.526593059338e+02
-FORCES -1.8943000000e-03 -2.8040000000e-03  5.5980000000e-03  3.2391000000e-03 -1.6773000000e-03 -2.4619000000e-03 -1.7025000000e-03  3.8647000000e-03 -6.8590000000e-04 -6.1280000000e-04 -5.5323000000e-03  6.5710000000e-04 -1.6580000000e-04  6.0856000000e-03 -6.4426000000e-03  1.1363000000e-03  6.3300000000e-05  3.3355000000e-03
-
-JOB 48
-COORDS  1.6613830000e+00 -1.3566000000e-02 -2.8177300000e-01  1.2507200000e+00  4.5247700000e-01 -1.0100530000e+00  1.7481870000e+00 -9.1490100000e-01 -5.9208200000e-01 -1.7122720000e+00  2.2687000000e-02  3.6011000000e-01 -1.1826840000e+00  7.8072100000e-01  6.0740200000e-01 -1.1449120000e+00 -4.8846000000e-01 -2.1700600000e-01
-ENERGY -1.526551289593e+02
-FORCES  1.7421000000e-03 -1.9685000000e-03 -4.4705000000e-03 -6.8700000000e-05 -2.6126000000e-03  4.4496000000e-03 -1.5801000000e-03  4.2740000000e-03  1.2811000000e-03  7.2682000000e-03  6.3920000000e-04  5.7120000000e-04 -3.8356000000e-03 -1.7165000000e-03 -1.7806000000e-03 -3.5259000000e-03  1.3844000000e-03 -5.0800000000e-05
-
-JOB 49
-COORDS -6.6898100000e-01 -1.5175260000e+00 -3.7472200000e-01 -4.7398900000e-01 -1.9949990000e+00 -1.1810900000e+00 -1.1820400000e-01 -1.9325430000e+00  2.8908400000e-01  5.8320300000e-01  1.5515720000e+00  3.4737700000e-01  7.2300600000e-01  1.4353050000e+00  1.2871480000e+00  1.3991660000e+00  1.9379660000e+00  2.9358000000e-02
-ENERGY -1.526515152187e+02
-FORCES  4.0001000000e-03 -1.9204000000e-03 -7.3470000000e-04 -8.7800000000e-04  1.8658000000e-03  3.1921000000e-03 -2.4278000000e-03  1.3028000000e-03 -2.1560000000e-03  3.0960000000e-03  4.1880000000e-04  2.4228000000e-03 -3.4150000000e-04  2.3050000000e-04 -3.7509000000e-03 -3.4488000000e-03 -1.8974000000e-03  1.0267000000e-03
-
-JOB 50
-COORDS -9.7603500000e-01  1.2595580000e+00 -7.4248200000e-01 -7.9684300000e-01  1.5034740000e+00 -1.6505720000e+00 -3.0518400000e-01  1.7158670000e+00 -2.3457200000e-01  9.6492400000e-01 -1.3580210000e+00  7.7157900000e-01  1.2529910000e+00 -4.4559000000e-01  7.4478500000e-01  9.7320000000e-03 -1.3093410000e+00  7.3323300000e-01
-ENERGY -1.526553741625e+02
-FORCES  2.7043000000e-03  3.9766000000e-03 -3.4312000000e-03 -7.7670000000e-04 -6.8270000000e-04  4.1687000000e-03 -2.0482000000e-03 -3.5097000000e-03 -1.4223000000e-03 -4.5535000000e-03  4.4484000000e-03 -1.7491000000e-03 -6.5000000000e-06 -2.5761000000e-03  6.9960000000e-04  4.6805000000e-03 -1.6564000000e-03  1.7343000000e-03
-
-JOB 51
-COORDS  1.2214210000e+00 -9.8717400000e-01 -9.0947400000e-01  5.4531600000e-01 -1.2606530000e+00 -2.8953500000e-01  2.0149740000e+00 -1.4310880000e+00 -6.1039900000e-01 -1.1972200000e+00  1.0802410000e+00  8.6530900000e-01 -1.8163360000e+00  8.6796700000e-01  1.6683400000e-01 -1.1421070000e+00  2.8050200000e-01  1.3883890000e+00
-ENERGY -1.526525564356e+02
-FORCES  6.7460000000e-04 -1.6682000000e-03  4.2016000000e-03  1.9873000000e-03 -1.1910000000e-04 -2.3559000000e-03 -3.4153000000e-03  1.8409000000e-03 -1.1568000000e-03 -2.3387000000e-03 -2.7435000000e-03 -1.2432000000e-03  2.5701000000e-03  3.7310000000e-04  3.4797000000e-03  5.2200000000e-04  2.3168000000e-03 -2.9253000000e-03
-
-JOB 52
-COORDS -7.9411200000e-01 -2.4173700000e-01  1.5536440000e+00 -1.5183340000e+00 -8.0924600000e-01  1.8175920000e+00 -2.1890800000e-01 -2.1536600000e-01  2.3182860000e+00  8.6222700000e-01  2.7383900000e-01 -1.6268340000e+00  2.0731300000e-01 -3.7094600000e-01 -1.8943650000e+00  3.8117400000e-01  8.8908700000e-01 -1.0734000000e+00
-ENERGY -1.526563101905e+02
-FORCES  7.0600000000e-05 -2.8190000000e-03  5.0292000000e-03  3.0436000000e-03  2.2915000000e-03 -1.2787000000e-03 -2.9021000000e-03  2.6300000000e-05 -2.9136000000e-03 -5.7939000000e-03 -8.5110000000e-04  3.7584000000e-03  2.6783000000e-03  2.2413000000e-03 -4.3540000000e-04  2.9035000000e-03 -8.8910000000e-04 -4.1599000000e-03
-
-JOB 53
-COORDS  4.2997500000e-01  1.7860410000e+00 -3.1639200000e-01  1.0669130000e+00  1.5220010000e+00  3.4755400000e-01 -4.2133800000e-01  1.6373910000e+00  9.5191000000e-02 -4.0185200000e-01 -1.7024280000e+00  2.8228300000e-01  3.5630000000e-02 -2.2075080000e+00 -4.0308900000e-01 -1.1343120000e+00 -2.2542430000e+00  5.5657000000e-01
-ENERGY -1.526556707953e+02
-FORCES -1.6360000000e-03 -4.4223000000e-03  4.8488000000e-03 -1.5945000000e-03  2.2812000000e-03 -2.6469000000e-03  2.9282000000e-03  2.7697000000e-03 -1.5757000000e-03 -7.0690000000e-04 -4.7337000000e-03 -2.8813000000e-03 -1.9170000000e-03  1.4301000000e-03  3.3499000000e-03  2.9263000000e-03  2.6750000000e-03 -1.0948000000e-03
-
-JOB 54
-COORDS  1.2546860000e+00  1.4237690000e+00  9.0586000000e-02  5.3716800000e-01  8.9662000000e-01  4.4203100000e-01  1.4554620000e+00  1.0225430000e+00 -7.5495500000e-01 -1.2511990000e+00 -1.3738170000e+00 -1.0584000000e-02 -7.7390100000e-01 -2.0962940000e+00 -4.1856100000e-01 -1.2536840000e+00 -6.8322400000e-01 -6.7338600000e-01
-ENERGY -1.526552957821e+02
-FORCES -1.7324000000e-03 -4.5641000000e-03 -4.4810000000e-04  3.2707000000e-03  4.0832000000e-03 -3.1597000000e-03 -1.4423000000e-03  1.5651000000e-03  2.9205000000e-03 -4.5800000000e-05 -2.5220000000e-03 -5.0761000000e-03 -1.9655000000e-03  3.6822000000e-03  1.6583000000e-03  1.9153000000e-03 -2.2445000000e-03  4.1052000000e-03
-
-JOB 55
-COORDS -7.9482100000e-01  1.5856330000e+00  7.9005500000e-01  1.4421900000e-01  1.4535030000e+00  6.5975900000e-01 -1.1794880000e+00  1.4432500000e+00 -7.4810000000e-02  8.1767200000e-01 -1.5341030000e+00 -7.5257700000e-01 -6.3882000000e-02 -1.4866120000e+00 -1.1224940000e+00  7.6860600000e-01 -2.2372150000e+00 -1.0492200000e-01
-ENERGY -1.526556638245e+02
-FORCES  3.6614000000e-03 -1.6785000000e-03 -4.3499000000e-03 -4.4299000000e-03  2.0106000000e-03  1.2241000000e-03  6.8100000000e-04  2.4950000000e-04  3.2559000000e-03 -3.9819000000e-03 -4.0467000000e-03  1.6639000000e-03  3.6738000000e-03  6.8590000000e-04  1.2308000000e-03  3.9550000000e-04  2.7791000000e-03 -3.0248000000e-03
-
-JOB 56
-COORDS -3.1719400000e-01 -7.6000000000e-02 -1.8557200000e+00 -3.5653400000e-01 -9.8745900000e-01 -1.5660180000e+00 -2.0692000000e-02 -1.2561200000e-01 -2.7644860000e+00  3.3707700000e-01  1.6519500000e-01  1.9374250000e+00  6.5652900000e-01 -2.3027000000e-01  1.1263830000e+00 -6.0168200000e-01 -2.1734000000e-02  1.9420510000e+00
-ENERGY -1.526546290876e+02
-FORCES  6.8480000000e-04 -3.3771000000e-03 -4.6908000000e-03  7.5860000000e-04  4.3436000000e-03  4.1050000000e-04 -1.4268000000e-03  3.3400000000e-05  3.9499000000e-03 -2.7530000000e-03 -8.1520000000e-04 -4.7522000000e-03 -1.0530000000e-03 -2.1750000000e-04  4.5501000000e-03  3.7895000000e-03  3.2800000000e-05  5.3240000000e-04
-
-JOB 57
-COORDS -2.4054000000e-02  8.0767800000e-01 -1.7760560000e+00  9.0523000000e-02  1.7569170000e+00 -1.8213200000e+00 -1.3200000000e-01  6.2319900000e-01 -8.4302500000e-01  2.6764000000e-02 -8.1601000000e-01  1.6633600000e+00  6.4075500000e-01 -1.4662090000e+00  2.0046640000e+00 -6.7731900000e-01 -7.8752100000e-01  2.3111930000e+00
-ENERGY -1.526575693139e+02
-FORCES  2.7610000000e-04  1.8795000000e-03  4.9923000000e-03 -5.0070000000e-04 -3.4620000000e-03  8.4100000000e-05 -1.6330000000e-04  2.8317000000e-03 -6.4554000000e-03  2.0020000000e-04 -4.0068000000e-03  4.8475000000e-03 -2.9047000000e-03  2.7383000000e-03 -7.6030000000e-04  3.0924000000e-03  1.9200000000e-05 -2.7083000000e-03
-
-JOB 58
-COORDS -5.7060000000e-03 -1.9536470000e+00  1.3677400000e-01 -2.3459300000e-01 -1.0960600000e+00 -2.2153600000e-01 -2.8454800000e-01 -2.5764090000e+00 -5.3452800000e-01  3.2987000000e-02  1.9521590000e+00 -1.4916500000e-01 -3.3942100000e-01  1.1975690000e+00  3.0705500000e-01  3.8247100000e-01  2.5061180000e+00  5.4884700000e-01
-ENERGY -1.526537869742e+02
-FORCES -1.4744000000e-03  4.0700000000e-05 -5.7972000000e-03 -2.2170000000e-04 -2.0050000000e-03  3.9072000000e-03  1.2238000000e-03  2.3925000000e-03  3.0539000000e-03  6.2460000000e-04  6.5310000000e-04  6.2463000000e-03  1.5584000000e-03  8.6820000000e-04 -4.1818000000e-03 -1.7106000000e-03 -1.9496000000e-03 -3.2283000000e-03
-
-JOB 59
-COORDS  7.7135700000e-01  1.6725800000e+00  8.5033200000e-01  1.6464580000e+00  1.3940350000e+00  5.8044100000e-01  2.0848100000e-01  1.4463020000e+00  1.0992600000e-01 -7.5080300000e-01 -1.5854810000e+00 -8.1411600000e-01 -8.3757500000e-01 -1.9189900000e+00  7.8898000000e-02 -1.2623880000e+00 -2.1932830000e+00 -1.3480540000e+00
-ENERGY -1.526567168108e+02
-FORCES  8.5970000000e-04 -2.7983000000e-03 -5.1352000000e-03 -3.0409000000e-03  1.4339000000e-03  1.5245000000e-03  2.6037000000e-03  2.5165000000e-03  3.8399000000e-03 -2.7900000000e-03 -4.7098000000e-03  1.5949000000e-03  2.4280000000e-04  1.1542000000e-03 -4.1808000000e-03  2.1246000000e-03  2.4035000000e-03  2.3567000000e-03
-
-JOB 60
-COORDS -1.3962740000e+00 -1.2059010000e+00 -9.1490800000e-01 -2.1798290000e+00 -8.6584500000e-01 -4.8289300000e-01 -7.6812000000e-01 -1.3364830000e+00 -2.0455400000e-01  1.3417370000e+00  1.1680730000e+00  8.7709200000e-01  2.1604230000e+00  1.3188910000e+00  1.3495760000e+00  1.5228420000e+00  1.4603850000e+00 -1.6208000000e-02
-ENERGY -1.526562872796e+02
-FORCES -3.5000000000e-05  1.4696000000e-03  5.5748000000e-03  2.6655000000e-03 -1.5719000000e-03 -2.0069000000e-03 -3.2985000000e-03 -7.3520000000e-04 -3.6885000000e-03  4.3895000000e-03  2.6409000000e-03 -2.0601000000e-03 -3.3900000000e-03 -6.6180000000e-04 -2.0086000000e-03 -3.3160000000e-04 -1.1416000000e-03  4.1893000000e-03
-
-JOB 61
-COORDS -3.1011400000e-01  2.0317000000e+00 -1.6731100000e-01  5.8446500000e-01  2.2450760000e+00  9.8079000000e-02 -7.3956100000e-01  1.7506510000e+00  6.4066000000e-01  3.1409200000e-01 -1.9685930000e+00  9.4699000000e-02  3.3524300000e-01 -2.6398280000e+00  7.7677500000e-01 -2.8448300000e-01 -2.3167510000e+00 -5.6615300000e-01
-ENERGY -1.526543722700e+02
-FORCES  2.5950000000e-03 -2.0911000000e-03  4.5042000000e-03 -3.6003000000e-03  5.9800000000e-05 -1.0120000000e-03  1.1195000000e-03  2.1614000000e-03 -3.0027000000e-03 -2.5490000000e-03 -4.1904000000e-03 -9.7140000000e-04 -8.7700000000e-05  3.1328000000e-03 -2.5777000000e-03  2.5225000000e-03  9.2760000000e-04  3.0596000000e-03
-
-JOB 62
-COORDS -1.9672870000e+00 -5.5526900000e-01  7.2856400000e-01 -1.7088760000e+00  3.5240900000e-01  5.6864100000e-01 -1.1466840000e+00 -1.0471730000e+00  6.9903700000e-01  1.8888630000e+00  5.2705700000e-01 -6.5976400000e-01  1.3823250000e+00  1.7624300000e-01 -1.3922810000e+00  2.6350340000e+00  9.6328400000e-01 -1.0710620000e+00
-ENERGY -1.526556425125e+02
-FORCES  5.2066000000e-03  2.1344000000e-03  2.4970000000e-04 -1.9300000000e-03 -3.8107000000e-03  1.2870000000e-04 -4.0448000000e-03  1.4040000000e-03 -5.6420000000e-04  2.3917000000e-03  7.5300000000e-04 -5.1299000000e-03  1.5804000000e-03  1.3901000000e-03  3.7777000000e-03 -3.2040000000e-03 -1.8708000000e-03  1.5381000000e-03
-
-JOB 63
-COORDS  3.8512400000e-01  8.9667200000e-01  1.8389690000e+00  1.8349800000e-01  1.5311470000e+00  1.1512040000e+00  6.9544300000e-01  1.4280240000e+00  2.5721810000e+00 -3.6430800000e-01 -9.0365900000e-01 -1.8689420000e+00 -1.3037400000e+00 -1.0696020000e+00 -1.7904350000e+00  4.8605000000e-02 -1.6583800000e+00 -1.4492640000e+00
-ENERGY -1.526551962229e+02
-FORCES  5.2200000000e-04  4.8587000000e-03 -6.6480000000e-04  7.1260000000e-04 -2.0556000000e-03  3.8633000000e-03 -1.2597000000e-03 -2.1880000000e-03 -2.9529000000e-03 -1.8255000000e-03 -4.2083000000e-03  2.8369000000e-03  3.6850000000e-03  8.6480000000e-04 -5.8910000000e-04 -1.8344000000e-03  2.7284000000e-03 -2.4934000000e-03
-
-JOB 64
-COORDS  1.1641840000e+00 -2.6275500000e-01  1.7234970000e+00  2.0178090000e+00 -6.8746200000e-01  1.6387680000e+00  1.3381110000e+00  6.6235100000e-01  1.5498270000e+00 -1.2456190000e+00  2.8541600000e-01 -1.6599510000e+00 -1.2137970000e+00 -6.6397400000e-01 -1.5421450000e+00 -9.1704800000e-01  4.2824900000e-01 -2.5475720000e+00
-ENERGY -1.526544015477e+02
-FORCES  3.6806000000e-03  2.9312000000e-03 -1.3615000000e-03 -3.5243000000e-03  1.4902000000e-03  1.5910000000e-04  3.5200000000e-05 -3.9336000000e-03  1.3486000000e-03  1.4437000000e-03 -3.9801000000e-03 -2.3100000000e-03 -5.1530000000e-04  3.9007000000e-03 -1.4839000000e-03 -1.1199000000e-03 -4.0830000000e-04  3.6477000000e-03
-
-JOB 65
-COORDS -1.0313680000e+00  6.5370400000e-01  1.7804640000e+00 -4.4944700000e-01  1.4008900000e+00  1.6414940000e+00 -5.1624700000e-01  4.3166000000e-02  2.3078400000e+00  9.9001800000e-01 -6.2358000000e-01 -1.7684540000e+00  1.5017800000e-01 -1.0424850000e+00 -1.5802530000e+00  1.2854000000e+00 -1.0328110000e+00 -2.5817870000e+00
-ENERGY -1.526553738854e+02
-FORCES  5.1714000000e-03  1.0156000000e-03  1.3594000000e-03 -2.7777000000e-03 -2.8610000000e-03  1.1644000000e-03 -2.4168000000e-03  2.2636000000e-03 -2.0158000000e-03 -2.8798000000e-03 -3.2308000000e-03 -2.4388000000e-03  4.0856000000e-03  1.1832000000e-03 -1.3899000000e-03 -1.1826000000e-03  1.6294000000e-03  3.3207000000e-03
-
-JOB 66
-COORDS -3.6692800000e-01  1.5083290000e+00  1.4209440000e+00 -2.5817800000e-01  2.3967810000e+00  1.7601460000e+00 -8.6998100000e-01  1.0534590000e+00  2.0964170000e+00  4.3098800000e-01 -1.5628100000e+00 -1.4324630000e+00  3.3990500000e-01 -6.2231000000e-01 -1.5854230000e+00 -1.3801800000e-01 -1.9685430000e+00 -2.0865620000e+00
-ENERGY -1.526550112797e+02
-FORCES -1.4851000000e-03  1.2316000000e-03  4.8210000000e-03 -4.8970000000e-04 -3.6266000000e-03 -1.5169000000e-03  1.8557000000e-03  2.3937000000e-03 -2.6512000000e-03 -2.6505000000e-03  3.1939000000e-03 -2.5696000000e-03  5.6090000000e-04 -4.6710000000e-03 -7.0980000000e-04  2.2086000000e-03  1.4785000000e-03  2.6265000000e-03
-
-JOB 67
-COORDS -3.3671900000e-01  8.8975000000e-01 -1.9966650000e+00 -1.1383900000e+00  1.0164800000e+00 -1.4892250000e+00  1.8167600000e-01  1.6762930000e+00 -1.8268170000e+00  3.0258500000e-01 -9.8110600000e-01  1.9711350000e+00  1.0467090000e+00 -1.1895530000e+00  1.4062800000e+00  4.7575500000e-01 -9.0926000000e-02  2.2774430000e+00
-ENERGY -1.526544521550e+02
-FORCES -1.9328000000e-03  3.4373000000e-03  2.7471000000e-03  3.4626000000e-03  2.9800000000e-05 -2.4424000000e-03 -1.8167000000e-03 -3.3393000000e-03 -4.0180000000e-04  4.0497000000e-03  2.3629000000e-03 -1.7338000000e-03 -2.8098000000e-03  8.3770000000e-04  3.0714000000e-03 -9.5310000000e-04 -3.3284000000e-03 -1.2405000000e-03
-
-JOB 68
-COORDS  2.1194400000e-01  2.0730580000e+00  9.5603200000e-01 -6.7442900000e-01  2.3779410000e+00  7.6206700000e-01  5.7956600000e-01  1.8451300000e+00  1.0213800000e-01 -1.8384800000e-01 -2.1238820000e+00 -9.4822600000e-01  4.9471500000e-01 -1.4984000000e+00 -6.9414500000e-01 -9.0371600000e-01 -1.9573760000e+00 -3.3970600000e-01
-ENERGY -1.526545164943e+02
-FORCES -2.1430000000e-03  1.8382000000e-03 -4.2687000000e-03  3.7446000000e-03 -1.6218000000e-03  8.9340000000e-04 -1.5408000000e-03 -1.5490000000e-04  3.8257000000e-03 -3.8500000000e-05  2.7226000000e-03  4.4331000000e-03 -2.7421000000e-03 -2.0901000000e-03 -1.8914000000e-03  2.7199000000e-03 -6.9400000000e-04 -2.9922000000e-03
-
-JOB 69
-COORDS -9.1883600000e-01  1.6954340000e+00 -1.1368860000e+00 -1.2808750000e+00  2.2554820000e+00 -4.5022200000e-01 -8.4669900000e-01  2.2681150000e+00 -1.9004730000e+00  9.1336600000e-01 -1.8062980000e+00  1.1650770000e+00  6.9207900000e-01 -8.8501200000e-01  1.3010830000e+00  1.5947250000e+00 -1.7927540000e+00  4.9291800000e-01
-ENERGY -1.526549325309e+02
-FORCES -1.8940000000e-03  4.8508000000e-03 -1.0085000000e-03  1.9082000000e-03 -2.4888000000e-03 -2.6004000000e-03 -2.5240000000e-04 -2.3240000000e-03  3.2505000000e-03  1.2156000000e-03  4.4289000000e-03 -3.2385000000e-03  1.2472000000e-03 -3.9749000000e-03  6.2790000000e-04 -2.2246000000e-03 -4.9190000000e-04  2.9690000000e-03
-
-JOB 70
-COORDS -1.6784000000e-02  2.1861210000e+00  9.6644000000e-01 -4.7245000000e-01  2.2150480000e+00  1.2515300000e-01  8.7307900000e-01  2.4773440000e+00  7.6753000000e-01  4.5140000000e-02 -2.1678330000e+00 -9.3285200000e-01 -6.3296600000e-01 -1.9414610000e+00 -2.9633000000e-01 -2.0107000000e-01 -3.0380010000e+00 -1.2465720000e+00
-ENERGY -1.526548058198e+02
-FORCES  2.3678000000e-03  1.1669000000e-03 -4.5700000000e-03  1.4764000000e-03 -7.4800000000e-05  3.6683000000e-03 -3.7160000000e-03 -8.1050000000e-04  9.6710000000e-04 -3.6592000000e-03 -2.6426000000e-03  1.8978000000e-03  2.5403000000e-03 -1.1978000000e-03 -3.1918000000e-03  9.9080000000e-04  3.5588000000e-03  1.2287000000e-03
-
-JOB 71
-COORDS  1.7356630000e+00  1.5419940000e+00 -7.2444100000e-01  2.0073780000e+00  2.3428990000e+00 -2.7616300000e-01  1.8956300000e+00  8.4485900000e-01 -8.8324000000e-02 -1.7241090000e+00 -1.5474450000e+00  6.1770900000e-01 -1.9629980000e+00 -2.3118640000e+00  1.1419480000e+00 -2.1319130000e+00 -8.0912500000e-01  1.0702710000e+00
-ENERGY -1.526541492376e+02
-FORCES  1.5401000000e-03 -2.8860000000e-04  4.3008000000e-03 -1.2224000000e-03 -3.1732000000e-03 -1.7690000000e-03 -1.1880000000e-04  3.4442000000e-03 -2.4552000000e-03 -3.1486000000e-03  5.1100000000e-05  3.5804000000e-03  1.1428000000e-03  3.1833000000e-03 -2.1121000000e-03  1.8068000000e-03 -3.2168000000e-03 -1.5448000000e-03
-
-JOB 72
-COORDS  3.4234600000e-01  2.0929420000e+00 -1.1569670000e+00 -1.0363900000e-01  2.5277350000e+00 -1.8837990000e+00  1.2524970000e+00  2.0185510000e+00 -1.4438870000e+00 -3.5617000000e-01 -2.1547030000e+00  1.1655950000e+00 -6.5237100000e-01 -1.2469610000e+00  1.0985040000e+00 -2.7199200000e-01 -2.3107770000e+00  2.1062260000e+00
-ENERGY -1.526551901207e+02
-FORCES  2.1517000000e-03  1.4594000000e-03 -4.5480000000e-03  1.8375000000e-03 -1.7107000000e-03  3.0197000000e-03 -3.7879000000e-03  5.4810000000e-04  1.1948000000e-03 -8.6020000000e-04  3.7231000000e-03  3.1525000000e-03  9.5790000000e-04 -4.5260000000e-03  8.7330000000e-04 -2.9900000000e-04  5.0610000000e-04 -3.6924000000e-03
-
-JOB 73
-COORDS  1.0956900000e+00 -7.2355400000e-01 -2.0855980000e+00  1.5356540000e+00 -9.3456700000e-01 -1.2621070000e+00  1.7124520000e+00 -1.5676500000e-01 -2.5488320000e+00 -1.0910510000e+00  6.9735000000e-01  2.0421100000e+00 -1.8099290000e+00  1.2392870000e+00  1.7169190000e+00 -1.4421210000e+00  2.7971000000e-01  2.8285950000e+00
-ENERGY -1.526544379452e+02
-FORCES  4.0246000000e-03  1.6799000000e-03  2.3129000000e-03 -1.2742000000e-03  4.7020000000e-04 -3.9510000000e-03 -2.4761000000e-03 -2.2813000000e-03  1.6716000000e-03 -4.7343000000e-03  5.0830000000e-04  1.4043000000e-03  2.9075000000e-03 -2.0587000000e-03  1.7132000000e-03  1.5525000000e-03  1.6817000000e-03 -3.1510000000e-03
-
-JOB 74
-COORDS  7.7858300000e-01  1.5250130000e+00  1.8553170000e+00  1.3289160000e+00  8.7488700000e-01  1.4186240000e+00  4.8485000000e-02  1.0199320000e+00  2.2132020000e+00 -7.5604300000e-01 -1.4993640000e+00 -1.9031000000e+00 -1.4957480000e+00 -9.0983900000e-01 -1.7563720000e+00 -1.9279600000e-01 -1.3723080000e+00 -1.1396590000e+00
-ENERGY -1.526534814167e+02
-FORCES -1.5430000000e-04 -4.2175000000e-03  5.3190000000e-04 -2.9104000000e-03  2.3654000000e-03  1.3961000000e-03  2.9708000000e-03  1.9042000000e-03 -2.1144000000e-03 -9.3590000000e-04  3.2311000000e-03  3.2536000000e-03  3.0984000000e-03 -2.7085000000e-03 -4.2850000000e-04 -2.0687000000e-03 -5.7470000000e-04 -2.6388000000e-03
-
-JOB 75
-COORDS -1.3152590000e+00 -1.3865050000e+00 -1.6197090000e+00 -6.2464200000e-01 -1.7998480000e+00 -2.1378100000e+00 -1.7113530000e+00 -2.1069660000e+00 -1.1295270000e+00  1.3094360000e+00  1.3930540000e+00  1.5933260000e+00  1.4331030000e+00  2.2686820000e+00  1.2269730000e+00  9.5062600000e-01  1.5470340000e+00  2.4672700000e+00
-ENERGY -1.526536633531e+02
-FORCES  1.8475000000e-03 -4.4185000000e-03  4.8010000000e-04 -3.0248000000e-03  1.5570000000e-03  1.7778000000e-03  1.3411000000e-03  2.8203000000e-03 -2.1330000000e-03 -1.5356000000e-03  4.1980000000e-03  1.6094000000e-03 -2.2200000000e-04 -3.4797000000e-03  1.6680000000e-03  1.5938000000e-03 -6.7710000000e-04 -3.4022000000e-03
-
-JOB 76
-COORDS -2.8076200000e-01  9.2039400000e-01 -2.3600380000e+00 -1.0384880000e+00  1.0414480000e+00 -2.9322520000e+00 -6.2907000000e-01  1.0268510000e+00 -1.4748370000e+00  3.4859100000e-01 -8.8621100000e-01  2.3771710000e+00  9.5397800000e-01 -1.6262690000e+00  2.3318590000e+00 -3.1412700000e-01 -1.0772910000e+00  1.7134500000e+00
-ENERGY -1.526541730992e+02
-FORCES -4.3069000000e-03  1.6154000000e-03  1.1980000000e-03  3.1040000000e-03 -6.4430000000e-04  2.4203000000e-03  1.1418000000e-03 -1.0955000000e-03 -3.7171000000e-03  2.8040000000e-04 -4.2440000000e-03 -2.8453000000e-03 -2.6175000000e-03  3.0069000000e-03  3.7790000000e-04  2.3982000000e-03  1.3616000000e-03  2.5662000000e-03
-
-JOB 77
-COORDS -2.1779430000e+00  5.1777300000e-01 -1.4186180000e+00 -1.2769580000e+00  7.0752000000e-01 -1.6802560000e+00 -2.5996080000e+00  1.3757430000e+00 -1.3704650000e+00  2.1754850000e+00 -5.4325000000e-01  1.4724130000e+00  1.5821760000e+00 -3.0945100000e-01  7.5858200000e-01  2.2751480000e+00 -1.4925260000e+00  1.4004700000e+00
-ENERGY -1.526540416348e+02
-FORCES  1.2869000000e-03  4.7141000000e-03 -1.1293000000e-03 -3.2224000000e-03 -1.2127000000e-03  1.5767000000e-03  1.8194000000e-03 -3.6208000000e-03 -2.7290000000e-04 -2.4059000000e-03 -3.2729000000e-03 -2.9028000000e-03  2.7395000000e-03 -5.4990000000e-04  2.4827000000e-03 -2.1750000000e-04  3.9423000000e-03  2.4560000000e-04
-
-JOB 78
-COORDS  7.5233800000e-01  1.9937110000e+00 -1.7596520000e+00  9.3282200000e-01  2.5543850000e+00 -1.0051300000e+00  2.3902700000e-01  2.5445780000e+00 -2.3506590000e+00 -7.7699200000e-01 -2.0253450000e+00  1.7015370000e+00  5.7840000000e-03 -1.5983020000e+00  2.0495710000e+00 -8.5274600000e-01 -2.8353980000e+00  2.2058270000e+00
-ENERGY -1.526537282656e+02
-FORCES -1.7946000000e-03  4.3628000000e-03  6.3900000000e-04 -5.3520000000e-04 -2.3076000000e-03 -2.9852000000e-03  2.2324000000e-03 -2.1386000000e-03  2.3589000000e-03  3.1430000000e-03 -1.4776000000e-03  3.0852000000e-03 -3.2876000000e-03 -1.7441000000e-03 -1.0627000000e-03  2.4200000000e-04  3.3053000000e-03 -2.0351000000e-03
-
-JOB 79
-COORDS  3.1064000000e-01 -1.7394210000e+00 -2.4342400000e+00  3.2380000000e-01 -8.2585200000e-01 -2.1488470000e+00  4.2998600000e-01 -1.6962070000e+00 -3.3829870000e+00 -3.0032700000e-01  1.6966330000e+00  2.4116740000e+00 -1.1475840000e+00  1.3759150000e+00  2.7207490000e+00  2.1314500000e-01  1.8250250000e+00  3.2092290000e+00
-ENERGY -1.526545530164e+02
-FORCES  5.9830000000e-04  4.1534000000e-03 -2.3697000000e-03 -9.1800000000e-05 -3.9469000000e-03 -1.5825000000e-03 -4.9170000000e-04 -2.3280000000e-04  3.7792000000e-03 -1.3500000000e-03 -9.5590000000e-04  4.7057000000e-03  3.4552000000e-03  1.4290000000e-03 -1.2854000000e-03 -2.1199000000e-03 -4.4680000000e-04 -3.2473000000e-03
-
-JOB 80
-COORDS  4.1066300000e-01 -2.7516800000e+00 -1.5816360000e+00 -3.6839400000e-01 -3.2854720000e+00 -1.4255310000e+00  7.7602900000e-01 -2.5996880000e+00 -7.1006400000e-01 -3.9116500000e-01  2.7013390000e+00  1.5313460000e+00 -1.0087720000e+00  3.3899910000e+00  1.7774170000e+00  3.1957200000e-01  3.1638460000e+00  1.0873050000e+00
-ENERGY -1.526543167475e+02
-FORCES -1.8640000000e-03 -1.2071000000e-03  4.4279000000e-03  3.1788000000e-03  2.0030000000e-03 -7.3540000000e-04 -1.3060000000e-03 -8.7880000000e-04 -3.6669000000e-03  3.4800000000e-04  4.7643000000e-03 -1.0258000000e-03  2.5141000000e-03 -2.8117000000e-03 -9.4790000000e-04 -2.8710000000e-03 -1.8697000000e-03  1.9480000000e-03
-
-JOB 81
-COORDS  4.7231000000e-02 -3.4494980000e+00  3.6155000000e-02 -9.0918500000e-01 -3.4447100000e+00  7.4592000000e-02  2.5080800000e-01 -3.7998130000e+00 -8.3106400000e-01 -5.7540000000e-03  3.5100170000e+00  5.6828000000e-02  2.6444400000e-01  3.5864770000e+00 -8.5825600000e-01 -3.1225100000e-01  2.6072160000e+00  1.4192700000e-01
-ENERGY -1.526541887847e+02
-FORCES -3.0223000000e-03 -1.8117000000e-03 -3.2679000000e-03  3.9403000000e-03  1.9080000000e-04 -2.1980000000e-04 -8.6340000000e-04  1.5796000000e-03  3.5242000000e-03  4.6900000000e-05 -3.5590000000e-03 -3.2582000000e-03 -1.1628000000e-03 -2.4150000000e-04  3.6611000000e-03  1.0613000000e-03  3.8418000000e-03 -4.3940000000e-04
-
-JOB 82
-COORDS  9.7082600000e-01 -8.9333900000e-01  3.2153970000e+00  1.5392430000e+00 -1.6612300000e-01  2.9618420000e+00  9.3542900000e-01 -8.4840900000e-01  4.1708870000e+00 -9.6020100000e-01  8.3134700000e-01 -3.2132370000e+00 -9.3659900000e-01  1.5173470000e+00 -3.8803800000e+00 -1.7990620000e+00  3.9138100000e-01 -3.3509880000e+00
-ENERGY -1.526539737271e+02
-FORCES  2.1754000000e-03  3.2717000000e-03  2.5681000000e-03 -2.2476000000e-03 -3.0012000000e-03  1.2702000000e-03  1.1570000000e-04 -2.1940000000e-04 -3.8523000000e-03 -3.4118000000e-03  8.2070000000e-04 -3.1683000000e-03 -4.8400000000e-05 -2.7511000000e-03  2.7369000000e-03  3.4167000000e-03  1.8793000000e-03  4.4550000000e-04
-
-JOB 83
-COORDS  2.3160100000e-01 -3.9634870000e+00  1.8178430000e+00 -3.2637900000e-01 -4.3217180000e+00  1.1275090000e+00  1.0628260000e+00 -4.4278920000e+00  1.7197340000e+00 -2.5532700000e-01  4.0338280000e+00 -1.7016410000e+00  5.4665800000e-01  3.7747730000e+00 -2.1554500000e+00 -9.3930000000e-01  3.9710140000e+00 -2.3683240000e+00
-ENERGY -1.526539308638e+02
-FORCES  1.0946000000e-03 -3.3013000000e-03 -3.1818000000e-03  2.2893000000e-03  1.4408000000e-03  2.7950000000e-03 -3.3886000000e-03  1.8867000000e-03  3.8060000000e-04  4.8520000000e-04 -1.3881000000e-03 -4.4848000000e-03 -3.2706000000e-03  1.0890000000e-03  1.8018000000e-03  2.7901000000e-03  2.7280000000e-04  2.6893000000e-03
-
-JOB 84
-COORDS -3.0919840000e+00 -2.7036810000e+00  2.7829890000e+00 -2.4295450000e+00 -2.4386230000e+00  2.1449050000e+00 -3.0745240000e+00 -2.0147570000e+00  3.4473010000e+00  3.0136930000e+00  2.6353060000e+00 -2.7422080000e+00  3.6091430000e+00  2.0643840000e+00 -3.2277180000e+00  3.2023250000e+00  3.5141760000e+00 -3.0712020000e+00
-ENERGY -1.526542334039e+02
-FORCES  2.8178000000e-03  3.9599000000e-03  4.4500000000e-05 -2.7272000000e-03 -1.1432000000e-03  2.6320000000e-03 -1.0340000000e-04 -2.8322000000e-03 -2.6590000000e-03  3.2270000000e-03  1.2911000000e-03 -3.3808000000e-03 -2.4413000000e-03  2.3147000000e-03  2.0058000000e-03 -7.7290000000e-04 -3.5903000000e-03  1.3575000000e-03
-
-JOB 85
-COORDS -2.8268520000e+00 -1.8016890000e+00 -3.9472470000e+00 -2.5519810000e+00 -1.9028470000e+00 -3.0359600000e+00 -2.1069120000e+00 -1.3280710000e+00 -4.3639060000e+00  2.8160630000e+00  1.8047040000e+00  3.8753730000e+00  1.9436400000e+00  1.4647130000e+00  3.6765870000e+00  2.8937790000e+00  1.7250740000e+00  4.8260830000e+00
-ENERGY -1.526540749010e+02
-FORCES  4.0940000000e-03  1.5225000000e-03  1.9649000000e-03 -1.1451000000e-03  4.1480000000e-04 -3.6745000000e-03 -2.9573000000e-03 -1.9380000000e-03  1.7180000000e-03 -3.2103000000e-03 -1.6634000000e-03  3.1605000000e-03  3.5485000000e-03  1.3537000000e-03  7.3400000000e-04 -3.2980000000e-04  3.1040000000e-04 -3.9029000000e-03
-
-JOB 86
-COORDS -4.7561710000e+00  1.0223940000e+00 -2.0525040000e+00 -5.0485370000e+00  9.3802700000e-01 -1.1449600000e+00 -4.3512550000e+00  1.8887080000e+00 -2.0946430000e+00  4.7082230000e+00 -1.1204360000e+00  1.9916450000e+00  4.4912230000e+00 -1.9154900000e-01  1.9121910000e+00  5.6226160000e+00 -1.1299260000e+00  2.2745350000e+00
-ENERGY -1.526540222725e+02
-FORCES  4.8670000000e-04  3.1326000000e-03  3.5483000000e-03  1.1756000000e-03  3.7800000000e-04 -3.7102000000e-03 -1.6548000000e-03 -3.5097000000e-03  1.6740000000e-04  2.8653000000e-03  3.7208000000e-03  7.9340000000e-04  8.6650000000e-04 -3.7716000000e-03  3.4480000000e-04 -3.7392000000e-03  4.9900000000e-05 -1.1438000000e-03
-
-JOB 87
-COORDS -3.2333740000e+00 -3.7960330000e+00 -7.0142230000e+00 -2.8848280000e+00 -3.6630740000e+00 -7.8957380000e+00 -2.6359660000e+00 -3.3116830000e+00 -6.4443640000e+00  3.2247930000e+00  3.8054200000e+00  7.0230480000e+00  2.3836420000e+00  3.8897820000e+00  7.4720240000e+00  3.2328230000e+00  2.9060670000e+00  6.6954340000e+00
-ENERGY -1.526540809400e+02
-FORCES  3.8586000000e-03  2.5205000000e-03 -1.2865000000e-03 -1.4213000000e-03 -5.4330000000e-04  3.6005000000e-03 -2.4382000000e-03 -1.9781000000e-03 -2.3137000000e-03 -3.4009000000e-03 -3.3243000000e-03  5.1180000000e-04  3.4324000000e-03 -3.4420000000e-04 -1.8379000000e-03 -3.0700000000e-05  3.6695000000e-03  1.3258000000e-03
-
-JOB 88
-COORDS  8.4346720000e+00  2.5750470000e+00  2.9501120000e+00  8.4400260000e+00  3.3340350000e+00  2.3668960000e+00  7.5307630000e+00  2.2609720000e+00  2.9269590000e+00 -8.4071000000e+00 -2.5302440000e+00 -2.9272830000e+00 -8.9487070000e+00 -3.3084520000e+00 -3.0587560000e+00 -7.5441760000e+00 -2.8745380000e+00 -2.6969470000e+00
-ENERGY -1.526540796067e+02
-FORCES -3.6657000000e-03  1.8256000000e-03 -2.4714000000e-03 -2.1100000000e-05 -3.1002000000e-03  2.3780000000e-03  3.6874000000e-03  1.2737000000e-03  9.3600000000e-05  1.2973000000e-03 -4.5875000000e-03  4.0030000000e-04  2.2142000000e-03  3.1764000000e-03  5.3720000000e-04 -3.5120000000e-03  1.4120000000e-03 -9.3770000000e-04
-
-JOB 89
-COORDS -6.5939510000e+00 -7.3886990000e+00 -2.3414100000e+00 -7.2942480000e+00 -6.8973640000e+00 -2.7708350000e+00 -5.8419920000e+00 -6.7965860000e+00 -2.3552720000e+00  6.5680280000e+00  7.3556110000e+00  2.4219610000e+00  7.0848310000e+00  6.5534060000e+00  2.3470290000e+00  6.4846470000e+00  7.6722660000e+00  1.5225120000e+00
-ENERGY -1.526540706499e+02
-FORCES  2.0450000000e-04  4.4209000000e-03 -1.8017000000e-03  2.8597000000e-03 -2.0046000000e-03  1.7486000000e-03 -3.0637000000e-03 -2.4162000000e-03  5.2700000000e-05  1.7791000000e-03 -1.9756000000e-03 -3.9687000000e-03 -2.1140000000e-03  3.2707000000e-03  3.0200000000e-04  3.3430000000e-04 -1.2951000000e-03  3.6670000000e-03
-
-JOB 0
-COORDS -5.7550700000e-01 -1.7848700000e-01  1.1639570000e+00 -6.0480000000e-02 -2.6432300000e-01  1.9662100000e+00  4.3461000000e-02  1.5870000000e-01  5.1633300000e-01  5.4383700000e-01  1.5240900000e-01 -1.1200210000e+00 -3.3686000000e-01 -1.3741500000e-01 -1.3579410000e+00  8.3793800000e-01  6.6785400000e-01 -1.8710560000e+00
-ENERGY -1.526585990033e+02
-FORCES  9.7609000000e-03  2.8977000000e-03 -1.1468800000e-02  2.2870000000e-04  1.1635000000e-03 -3.4519000000e-03 -7.0340000000e-03 -3.6145000000e-03  3.5087000000e-03 -5.9766000000e-03 -6.9470000000e-04  6.8014000000e-03  5.7868000000e-03  3.7508000000e-03  1.9858000000e-03 -2.7658000000e-03 -3.5028000000e-03  2.6248000000e-03
-
-JOB 1
-COORDS -4.2420900000e-01 -5.9086000000e-01 -1.0025440000e+00 -1.1493690000e+00 -2.3280500000e-01 -1.5145710000e+00 -4.1450400000e-01 -1.5230870000e+00 -1.2195470000e+00  4.2577400000e-01  6.7619100000e-01  1.0501660000e+00  3.0075800000e-01 -6.7073000000e-02  4.6011400000e-01  1.2294450000e+00  4.7086100000e-01  1.5278510000e+00
-ENERGY -1.526563523691e+02
-FORCES -1.4500000000e-04  8.7546000000e-03  7.7049000000e-03  3.3083000000e-03 -4.2703000000e-03  6.0690000000e-04  4.2230000000e-04  5.0804000000e-03  2.2391000000e-03 -5.4997000000e-03 -7.7689000000e-03 -1.3855900000e-02  4.6578000000e-03  2.4120000000e-04  6.9711000000e-03 -2.7438000000e-03 -2.0371000000e-03 -3.6661000000e-03
-
-JOB 2
-COORDS -9.3485200000e-01  1.0101320000e+00 -1.2309300000e-01 -3.2024000000e-02  8.2539000000e-01 -3.8194400000e-01 -1.3514060000e+00  1.4969800000e-01 -7.4427000000e-02  8.7385500000e-01 -9.6803900000e-01  8.3468000000e-02  5.0175000000e-01 -7.8237700000e-01  9.4561600000e-01  1.8041030000e+00 -7.6147600000e-01  1.7403700000e-01
-ENERGY -1.526553228650e+02
-FORCES  9.3154000000e-03 -1.3557100000e-02 -3.8685000000e-03 -8.3710000000e-04  5.8314000000e-03  2.5074000000e-03 -2.2920000000e-04  2.4043000000e-03  3.3677000000e-03 -3.1953000000e-03  4.2986000000e-03  4.7195000000e-03  5.3410000000e-04 -5.9590000000e-04 -5.7427000000e-03 -5.5880000000e-03  1.6187000000e-03 -9.8340000000e-04
-
-JOB 3
-COORDS  2.8721300000e-01 -4.8121800000e-01  1.1459850000e+00  1.2029070000e+00 -4.0561200000e-01  1.4143520000e+00  9.1527000000e-02 -1.4152070000e+00  1.2208390000e+00 -2.7541200000e-01  5.5315000000e-01 -1.2055370000e+00 -1.2028690000e+00  4.8137300000e-01 -1.4311550000e+00 -2.2244200000e-01  2.3559900000e-01 -3.0410000000e-01
-ENERGY -1.526592282059e+02
-FORCES  1.7688000000e-03  1.4437000000e-03 -9.4442000000e-03 -4.8362000000e-03 -2.0151000000e-03 -5.6870000000e-04  1.3316000000e-03  4.8454000000e-03 -2.0930000000e-04  2.7304000000e-03 -6.2033000000e-03  1.6141800000e-02  2.6193000000e-03 -1.4596000000e-03  2.6323000000e-03 -3.6138000000e-03  3.3889000000e-03 -8.5519000000e-03
-
-JOB 4
-COORDS -5.4901200000e-01  4.6678500000e-01  1.0331100000e+00 -4.0167400000e-01 -1.5955500000e-01  1.7417860000e+00 -9.6165100000e-01  1.2182300000e+00  1.4588920000e+00  5.3030300000e-01 -5.0960900000e-01 -1.1396200000e+00  2.4894900000e-01 -6.4763000000e-02 -3.4013000000e-01  1.4550370000e+00 -2.7939200000e-01 -1.2296140000e+00
-ENERGY -1.526586430496e+02
-FORCES  2.7892000000e-03 -2.1225000000e-03 -7.2845000000e-03 -4.1420000000e-04  4.4113000000e-03 -3.5304000000e-03  1.8919000000e-03 -4.9121000000e-03  2.0490000000e-04 -5.9396000000e-03  8.2283000000e-03  1.2481500000e-02  4.6297000000e-03 -5.7205000000e-03 -3.8404000000e-03 -2.9570000000e-03  1.1540000000e-04  1.9689000000e-03
-
-JOB 5
-COORDS  1.3477000000e-02 -1.1540050000e+00  6.3372100000e-01  7.7810200000e-01 -1.3144030000e+00  8.0682000000e-02 -6.7122800000e-01 -1.7115040000e+00  2.6411800000e-01  1.4799000000e-02  1.2321250000e+00 -6.2867400000e-01 -1.2622800000e-01  1.5236080000e+00  2.7209200000e-01 -3.9458200000e-01  3.6778400000e-01 -6.6809500000e-01
-ENERGY -1.526542512389e+02
-FORCES  4.4385000000e-03  2.6568000000e-03 -3.8343000000e-03 -5.7022000000e-03  7.2210000000e-04  1.5823000000e-03  2.9490000000e-03  6.6451000000e-03 -7.0740000000e-04 -2.1741000000e-03 -1.2507000000e-02  1.2619500000e-02  6.5520000000e-04  2.2665000000e-03 -3.2186000000e-03 -1.6640000000e-04  2.1650000000e-04 -6.4415000000e-03
-
-JOB 6
-COORDS  6.1068200000e-01 -2.6280500000e-01  1.1386710000e+00  1.5027500000e-01 -1.0999340000e+00  1.1976030000e+00  2.8330200000e-01  2.4397200000e-01  1.8817930000e+00 -5.3805700000e-01  2.9035300000e-01 -1.2575800000e+00 -1.4424600000e+00  1.9605100000e-01 -9.5859000000e-01 -1.3813000000e-02  2.3072300000e-01 -4.5892900000e-01
-ENERGY -1.526587711696e+02
-FORCES -4.4978000000e-03 -6.7590000000e-04 -1.2713000000e-03  9.4480000000e-04  6.1084000000e-03 -1.0524000000e-03  4.1510000000e-04 -3.3092000000e-03 -4.5267000000e-03  5.5667000000e-03 -1.6607000000e-03  1.5302500000e-02  2.6557000000e-03 -5.1890000000e-04  6.1200000000e-05 -5.0845000000e-03  5.6400000000e-05 -8.5133000000e-03
-
-JOB 7
-COORDS  3.4672300000e-01  1.2133780000e+00  3.7392400000e-01 -3.6244600000e-01  1.8109630000e+00  1.3684900000e-01  2.9785000000e-01  1.1493690000e+00  1.3277300000e+00 -3.6266100000e-01 -1.2512240000e+00 -4.2779300000e-01  8.2992000000e-02 -5.1399800000e-01 -1.0513000000e-02  3.4346400000e-01 -1.8440100000e+00 -6.8513700000e-01
-ENERGY -1.526592314959e+02
-FORCES -6.6377000000e-03 -1.6314000000e-03 -2.5017000000e-03  4.0977000000e-03 -1.9176000000e-03  2.8009000000e-03 -3.1530000000e-04 -2.5742000000e-03 -6.1752000000e-03  5.6419000000e-03  1.3369300000e-02  2.6745000000e-03 -1.7134000000e-03 -1.0661000000e-02  1.5609000000e-03 -1.0732000000e-03  3.4148000000e-03  1.6406000000e-03
-
-JOB 8
-COORDS -5.5895000000e-01 -8.4807200000e-01  8.6686600000e-01 -9.5341700000e-01  5.6440000000e-03  1.0451810000e+00 -1.3042510000e+00 -1.4385150000e+00  7.5670800000e-01  6.8140300000e-01  8.5480600000e-01 -9.0139700000e-01  5.9889400000e-01  6.5729000000e-02 -3.6587700000e-01 -1.9309200000e-01  1.2439050000e+00 -8.9176200000e-01
-ENERGY -1.526565306380e+02
-FORCES -2.5033000000e-03  2.6144000000e-03 -2.4066000000e-03  2.6335000000e-03 -3.5035000000e-03 -4.1698000000e-03  2.8271000000e-03  4.1796000000e-03  7.4680000000e-04 -7.5372000000e-03 -9.7683000000e-03  6.2857000000e-03  2.9044000000e-03  6.7941000000e-03 -2.2233000000e-03  1.6756000000e-03 -3.1630000000e-04  1.7672000000e-03
-
-JOB 9
-COORDS -9.9193500000e-01 -2.2523500000e-01 -8.7859800000e-01 -1.6238130000e+00 -7.3705000000e-02 -1.7574500000e-01 -1.0677500000e+00  5.4637100000e-01 -1.4399430000e+00  1.0648520000e+00  2.2601600000e-01  8.3990400000e-01  1.1665650000e+00 -1.3145700000e-01  1.7220040000e+00  3.8127900000e-01 -3.1185400000e-01  4.4033300000e-01
-ENERGY -1.526576126330e+02
-FORCES  2.6135000000e-03  8.3749000000e-03  1.4157000000e-03  5.8098000000e-03 -1.9163000000e-03 -1.5224000000e-03 -1.7379000000e-03 -3.9609000000e-03  2.1729000000e-03 -6.7584000000e-03 -3.7305000000e-03 -7.7736000000e-03 -3.1348000000e-03  4.9570000000e-04 -3.9763000000e-03  3.2078000000e-03  7.3720000000e-04  9.6837000000e-03
-
-JOB 10
-COORDS  4.5769400000e-01 -9.5573900000e-01 -8.3704500000e-01  1.4069260000e+00 -8.4652700000e-01 -8.9416700000e-01  3.2698200000e-01 -1.5272810000e+00 -8.0417000000e-02 -5.7300100000e-01  1.0064080000e+00  8.2023300000e-01  2.2303500000e-01  1.5238650000e+00  6.9859400000e-01 -3.5422300000e-01  1.4332300000e-01  4.6887500000e-01
-ENERGY -1.526532736072e+02
-FORCES  3.3456000000e-03  1.5049000000e-03  2.6778000000e-03 -5.2138000000e-03  4.1100000000e-05  8.8430000000e-04 -1.9315000000e-03  9.8296000000e-03 -1.3708000000e-03  8.1249000000e-03 -6.8539000000e-03 -1.2003100000e-02 -1.9443000000e-03 -7.8070000000e-04  1.3604000000e-03 -2.3809000000e-03 -3.7410000000e-03  8.4513000000e-03
-
-JOB 11
-COORDS -6.7136700000e-01  1.2277810000e+00 -1.4295500000e-01 -4.8420000000e-03  5.4144400000e-01 -1.7323100000e-01 -6.6498200000e-01  1.6074400000e+00 -1.0216190000e+00  6.0642800000e-01 -1.1934730000e+00  1.4085900000e-01  1.7181200000e-01 -1.4590240000e+00  9.5130500000e-01  1.5409520000e+00 -1.2486150000e+00  3.4050200000e-01
-ENERGY -1.526608448786e+02
-FORCES  6.1509000000e-03 -1.0736900000e-02 -1.6626000000e-03 -3.6216000000e-03  1.0235200000e-02 -2.0010000000e-04  1.1447000000e-03 -2.1275000000e-03  2.4573000000e-03 -2.2190000000e-03 -2.3650000000e-04  4.4328000000e-03  3.6993000000e-03  1.2615000000e-03 -4.0949000000e-03 -5.1542000000e-03  1.6041000000e-03 -9.3260000000e-04
-
-JOB 12
-COORDS -7.1622400000e-01  1.2463750000e+00  9.2846000000e-02 -7.8534000000e-02  1.5011420000e+00  7.5968700000e-01 -3.0442400000e-01  5.1393000000e-01 -3.6560500000e-01  6.3645400000e-01 -1.1555520000e+00 -1.1093400000e-01  1.4051210000e+00 -1.4624640000e+00  3.6988500000e-01  2.2419900000e-01 -1.9544640000e+00 -4.3959300000e-01
-ENERGY -1.526580746454e+02
-FORCES  9.1661000000e-03 -1.1113500000e-02  1.7254000000e-03 -1.8641000000e-03  7.5930000000e-04 -1.1924000000e-03 -4.6467000000e-03  4.9920000000e-03 -2.5603000000e-03 -1.1736000000e-03  8.8490000000e-04  2.4827000000e-03 -3.9129000000e-03  5.2450000000e-04 -2.0057000000e-03  2.4313000000e-03  3.9528000000e-03  1.5502000000e-03
-
-JOB 13
-COORDS  6.6639300000e-01  9.1929100000e-01 -7.4770700000e-01  1.5641320000e+00  9.7816800000e-01 -4.2085900000e-01  7.5309600000e-01  5.3259200000e-01 -1.6190150000e+00 -7.3430300000e-01 -8.5128600000e-01  8.2532200000e-01 -1.0471080000e+00 -1.7538660000e+00  7.6421100000e-01 -1.3884100000e-01 -7.5284000000e-01  8.2379000000e-02
-ENERGY -1.526554851119e+02
-FORCES  2.5588000000e-03  1.9856000000e-03  2.1230000000e-04 -4.9371000000e-03 -1.5842000000e-03 -1.9252000000e-03 -1.5580000000e-03 -1.2685000000e-03  6.6080000000e-03  4.4436000000e-03  5.0428000000e-03 -5.8152000000e-03  2.2901000000e-03  4.1475000000e-03 -1.7894000000e-03 -2.7975000000e-03 -8.3231000000e-03  2.7095000000e-03
-
-JOB 14
-COORDS -1.0406490000e+00  8.9618300000e-01  3.2868500000e-01 -4.2645300000e-01  3.4772400000e-01 -1.5936000000e-01 -1.7139250000e+00  1.1297120000e+00 -3.1037300000e-01  1.0435290000e+00 -8.1940700000e-01 -2.9184000000e-01  1.1874040000e+00 -1.6346340000e+00 -7.7239900000e-01  9.5641300000e-01 -1.0915260000e+00  6.2172200000e-01
-ENERGY -1.526611217536e+02
-FORCES  6.7129000000e-03 -5.4650000000e-03 -6.0725000000e-03 -7.5084000000e-03  5.1277000000e-03  5.2157000000e-03  2.7896000000e-03 -1.6474000000e-03  1.0428000000e-03 -1.0461000000e-03 -2.7984000000e-03  2.8950000000e-03 -5.9620000000e-04  3.4425000000e-03  3.0406000000e-03 -3.5180000000e-04  1.3406000000e-03 -6.1216000000e-03
-
-JOB 15
-COORDS  5.5153600000e-01 -4.1815900000e-01 -1.1514090000e+00  7.0452800000e-01 -1.2480570000e+00 -1.6031770000e+00  4.1622600000e-01  2.1666200000e-01 -1.8549170000e+00 -6.1549300000e-01  4.3900400000e-01  1.2090840000e+00 -1.1756000000e-02  8.5172000000e-01  1.8266580000e+00 -6.8107000000e-02 -1.6185000000e-01  7.0353900000e-01
-ENERGY -1.526594048096e+02
-FORCES -3.1581000000e-03  3.8899000000e-03 -1.9977000000e-03 -1.0631000000e-03  4.0578000000e-03  2.3211000000e-03  1.9279000000e-03 -4.3114000000e-03  1.3959000000e-03  6.4580000000e-03 -3.2986000000e-03 -7.3700000000e-03 -1.3697000000e-03 -1.3878000000e-03 -2.8253000000e-03 -2.7951000000e-03  1.0501000000e-03  8.4760000000e-03
-
-JOB 16
-COORDS  6.5762200000e-01  1.2478040000e+00 -3.8858800000e-01 -2.5764000000e-02  5.7766700000e-01 -3.7709700000e-01  8.6962900000e-01  1.3902140000e+00  5.3391100000e-01 -5.7431100000e-01 -1.1817900000e+00  3.1415400000e-01 -8.6055700000e-01 -2.0405750000e+00  3.0510000000e-03 -1.2426860000e+00 -9.2107300000e-01  9.4782000000e-01
-ENERGY -1.526581322649e+02
-FORCES -3.1621000000e-03 -1.0991200000e-02  4.6658000000e-03  3.4930000000e-04  8.3529000000e-03 -4.7260000000e-04 -1.1449000000e-03  5.0420000000e-04 -2.4009000000e-03 -1.0673000000e-03 -2.3719000000e-03 -1.5270000000e-04  8.6660000000e-04  4.1028000000e-03  2.5586000000e-03  4.1585000000e-03  4.0310000000e-04 -4.1982000000e-03
-
-JOB 17
-COORDS  1.0494730000e+00 -2.9112000000e-02 -1.0312800000e+00  1.6168660000e+00 -2.6399000000e-02 -2.6037800000e-01  1.6621500000e-01  8.2174000000e-02 -6.7956600000e-01 -9.7006300000e-01  2.0276000000e-02  9.5451900000e-01 -1.6447240000e+00 -6.1977400000e-01  7.2780300000e-01 -1.4362570000e+00  6.9644300000e-01  1.4461410000e+00
-ENERGY -1.526598340272e+02
-FORCES -6.4606000000e-03  1.1535000000e-03  1.1659800000e-02  5.5550000000e-04  6.8500000000e-05 -3.1520000000e-03  2.5766000000e-03 -1.8320000000e-03 -7.3644000000e-03 -2.3299000000e-03  2.9910000000e-04  1.0453000000e-03  3.7196000000e-03  4.3035000000e-03 -3.5200000000e-05  1.9389000000e-03 -3.9927000000e-03 -2.1536000000e-03
-
-JOB 18
-COORDS -1.0295270000e+00 -3.8207700000e-01  9.1716300000e-01 -1.2483880000e+00  5.4766800000e-01  8.5465100000e-01 -2.9541100000e-01 -4.1510100000e-01  1.5305260000e+00  9.9251100000e-01  3.5987400000e-01 -1.0004460000e+00  3.0791900000e-01 -6.0577000000e-02 -4.8007600000e-01  1.8070110000e+00  1.3921400000e-01 -5.4863800000e-01
-ENERGY -1.526586163730e+02
-FORCES  4.4260000000e-04  5.3045000000e-03  4.3271000000e-03  2.6636000000e-03 -5.8892000000e-03 -1.0583000000e-03 -1.6993000000e-03  9.1700000000e-05 -6.3120000000e-03 -5.6957000000e-03 -6.1113000000e-03  6.3401000000e-03  7.9390000000e-03  5.8540000000e-03 -3.2724000000e-03 -3.6502000000e-03  7.5030000000e-04 -2.4600000000e-05
-
-JOB 19
-COORDS -1.3014410000e+00 -3.8188000000e-01  1.5910700000e-01 -1.5990620000e+00 -7.1972800000e-01  1.0038030000e+00 -1.6874460000e+00 -9.7451900000e-01 -4.8588300000e-01  1.3905590000e+00  3.9569400000e-01 -1.4690400000e-01  1.4549590000e+00  1.3087250000e+00 -4.2700900000e-01  4.6579100000e-01  1.7516100000e-01 -2.5826600000e-01
-ENERGY -1.526612047481e+02
-FORCES  5.2490000000e-04 -2.7946000000e-03  3.5246000000e-03 -4.1520000000e-04  7.9420000000e-04 -4.8368000000e-03  2.4572000000e-03  2.8965000000e-03  3.3527000000e-03 -1.0860000000e-02 -6.2570000000e-04  8.5630000000e-04 -1.0769000000e-03 -2.8768000000e-03  7.8760000000e-04  9.3700000000e-03  2.6063000000e-03 -3.6843000000e-03
-
-JOB 20
-COORDS -1.2643970000e+00 -4.3885200000e-01  3.1935700000e-01 -1.3988700000e+00  2.7561800000e-01  9.4199700000e-01 -2.1212730000e+00 -5.6705300000e-01 -8.7534000000e-02  1.3579030000e+00  4.3743500000e-01 -2.7714400000e-01  5.8740400000e-01 -1.2667500000e-01 -2.1124900000e-01  1.5507450000e+00  4.7181100000e-01 -1.2140870000e+00
-ENERGY -1.526609537685e+02
-FORCES -1.6743000000e-03  3.9893000000e-03  1.8040000000e-04 -3.0550000000e-04 -4.1781000000e-03 -3.3453000000e-03  3.2788000000e-03  1.4533000000e-03  2.4330000000e-03 -8.9690000000e-03 -4.4657000000e-03 -1.8186000000e-03  8.8313000000e-03  3.5445000000e-03 -1.4990000000e-04 -1.1614000000e-03 -3.4330000000e-04  2.7003000000e-03
-
-JOB 21
-COORDS  1.6223700000e-01  5.1897100000e-01  1.3554180000e+00  8.9368900000e-01  8.5971000000e-02  1.7955540000e+00  1.9038600000e-01  1.8548000000e-01  4.5863300000e-01 -1.9417900000e-01 -4.5966400000e-01 -1.2643410000e+00 -8.6779500000e-01 -1.1867000000e-01 -1.8527260000e+00  2.9923900000e-01 -1.0815100000e+00 -1.7992030000e+00
-ENERGY -1.526609578171e+02
-FORCES  3.9840000000e-04 -5.0648000000e-03 -9.2843000000e-03 -1.9450000000e-03  7.1050000000e-04 -2.2228000000e-03  1.9367000000e-03  3.4210000000e-03  9.0145000000e-03 -1.3287000000e-03  7.1630000000e-04 -7.4690000000e-04  3.7682000000e-03 -2.7700000000e-03  1.3812000000e-03 -2.8296000000e-03  2.9870000000e-03  1.8582000000e-03
-
-JOB 22
-COORDS -7.7665000000e-01  6.6905100000e-01 -9.3992300000e-01 -1.1541100000e-01  4.0323600000e-01 -1.5789360000e+00 -9.4560200000e-01  1.5900810000e+00 -1.1383930000e+00  7.9525900000e-01 -7.4543500000e-01  9.6163700000e-01  8.5223500000e-01 -2.3909000000e-01  1.7719460000e+00 -7.8822000000e-02 -5.5543800000e-01  6.2088000000e-01
-ENERGY -1.526590035238e+02
-FORCES  5.3769000000e-03  1.9795000000e-03 -1.2524000000e-03 -4.3706000000e-03  1.4822000000e-03  2.2705000000e-03  1.4034000000e-03 -3.7175000000e-03  2.7490000000e-04 -6.9820000000e-03  7.2616000000e-03 -2.3026000000e-03 -8.7500000000e-05 -1.5332000000e-03 -2.4366000000e-03  4.6597000000e-03 -5.4725000000e-03  3.4463000000e-03
-
-JOB 23
-COORDS  6.0395300000e-01  7.6919100000e-01 -9.6748300000e-01  1.4571200000e+00  9.6768400000e-01 -1.3534080000e+00  1.8364600000e-01  1.6227340000e+00 -8.6242200000e-01 -6.3983800000e-01 -9.0011800000e-01  1.0137280000e+00 -1.1175070000e+00 -7.9464000000e-02  1.1345170000e+00  6.0100000000e-02 -6.8204600000e-01  3.9829000000e-01
-ENERGY -1.526586952355e+02
-FORCES -5.1400000000e-05  3.6701000000e-03 -6.3800000000e-05 -4.2577000000e-03 -6.7860000000e-04  2.0340000000e-03  2.0987000000e-03 -3.9770000000e-03 -1.3880000000e-04  4.0724000000e-03  8.2883000000e-03 -7.6215000000e-03  2.4650000000e-04 -1.9053000000e-03  4.7030000000e-04 -2.1086000000e-03 -5.3975000000e-03  5.3197000000e-03
-
-JOB 24
-COORDS  6.1382200000e-01  1.0105100000e+00 -8.6733100000e-01  4.1171200000e-01  2.1709800000e-01 -3.7146800000e-01  1.4993380000e+00  8.6603900000e-01 -1.2008300000e+00 -6.1120200000e-01 -9.1762400000e-01  8.0627200000e-01 -9.1949100000e-01 -5.9049700000e-01  1.6513620000e+00 -9.5810100000e-01 -1.8081370000e+00  7.5260900000e-01
-ENERGY -1.526612197787e+02
-FORCES -2.0642000000e-03 -7.4101000000e-03  4.6714000000e-03  5.3409000000e-03  6.6441000000e-03 -5.4430000000e-03 -3.0619000000e-03 -6.8650000000e-04  1.5275000000e-03 -2.2757000000e-03  5.4200000000e-04  1.3551000000e-03  8.6180000000e-04 -3.1266000000e-03 -3.5636000000e-03  1.1992000000e-03  4.0370000000e-03  1.4527000000e-03
-
-JOB 25
-COORDS  6.6303800000e-01 -1.2734620000e+00 -4.5228500000e-01 -1.8612700000e-01 -1.3008670000e+00 -8.9319300000e-01  6.8335700000e-01 -4.1786700000e-01 -2.3593000000e-02 -5.6926500000e-01  1.2483230000e+00  4.8964200000e-01 -6.6901600000e-01  1.3155070000e+00 -4.5997300000e-01 -1.2828060000e+00  6.7314900000e-01  7.6580600000e-01
-ENERGY -1.526567533960e+02
-FORCES -4.3910000000e-03  8.1289000000e-03  3.1422000000e-03  1.9459000000e-03  8.7730000000e-04  1.3615000000e-03  1.5583000000e-03 -6.5538000000e-03 -4.5999000000e-03 -5.4691000000e-03 -1.1107000000e-03 -2.1139000000e-03  1.9214000000e-03 -3.2693000000e-03  4.8741000000e-03  4.4346000000e-03  1.9277000000e-03 -2.6640000000e-03
-
-JOB 26
-COORDS -2.4754500000e-01  1.3811000000e+00 -5.4809200000e-01  6.3252900000e-01  1.4825900000e+00 -1.8559800000e-01 -3.8065500000e-01  4.3429100000e-01 -5.9354600000e-01  1.9337000000e-01 -1.3130440000e+00  4.6394400000e-01 -3.8352900000e-01 -1.8257180000e+00  1.0301470000e+00  9.1946500000e-01 -1.0549390000e+00  1.0317460000e+00
-ENERGY -1.526584449143e+02
-FORCES  3.4619000000e-03 -1.0217300000e-02  3.6953000000e-03 -1.9513000000e-03  4.3230000000e-04 -3.7700000000e-04 -1.5245000000e-03  7.2033000000e-03 -3.3489000000e-03  1.1160000000e-04  7.4710000000e-04  5.3542000000e-03  3.0845000000e-03  2.3681000000e-03 -2.3428000000e-03 -3.1823000000e-03 -5.3350000000e-04 -2.9808000000e-03
-
-JOB 27
-COORDS -8.4764300000e-01  1.1416000000e+00  4.0878600000e-01 -3.1259600000e-01  5.4997500000e-01 -1.2030400000e-01 -1.6756810000e+00  1.2065220000e+00 -6.6998000000e-02  8.0310400000e-01 -1.1486910000e+00 -3.4041100000e-01  1.6386740000e+00 -1.3253380000e+00  9.1851000000e-02  9.7465400000e-01 -3.8496900000e-01 -8.9134800000e-01
-ENERGY -1.526521820991e+02
-FORCES  8.4600000000e-05 -7.8584000000e-03 -1.7369000000e-03  2.9212000000e-03  6.0074000000e-03 -5.7497000000e-03  3.6700000000e-03 -6.1030000000e-04  1.3546000000e-03  5.5364000000e-03  1.6320000000e-03  2.3352000000e-03 -3.8547000000e-03  2.6200000000e-04 -2.9026000000e-03 -8.3575000000e-03  5.6730000000e-04  6.6994000000e-03
-
-JOB 28
-COORDS -2.0998200000e-01  4.7287300000e-01  1.4419660000e+00 -6.7089000000e-01 -1.4543100000e-01  8.7496000000e-01  5.7723100000e-01  7.0799600000e-01  9.5080000000e-01  1.6589200000e-01 -4.6122000000e-01 -1.3216940000e+00 -1.2677300000e-01  1.3190500000e-01 -2.0136350000e+00  9.5086600000e-01 -8.7709100000e-01 -1.6782020000e+00
-ENERGY -1.526588749182e+02
-FORCES  2.4210000000e-03 -3.9755000000e-03 -1.0882000000e-02 -1.7995000000e-03  1.8155000000e-03  5.3340000000e-03 -3.6850000000e-04  1.6686000000e-03  4.2408000000e-03  1.1773000000e-03  4.3460000000e-04 -3.7897000000e-03  1.8666000000e-03 -2.8158000000e-03  3.3288000000e-03 -3.2969000000e-03  2.8726000000e-03  1.7681000000e-03
-
-JOB 29
-COORDS  8.0412000000e-02  1.4276400000e+00 -1.2727300000e-01 -6.6684600000e-01  1.9748010000e+00 -3.6904300000e-01  2.3456500000e-01  1.6264200000e+00  7.9628300000e-01 -1.0952300000e-01 -1.4969360000e+00  7.8891000000e-02  6.6199100000e-01 -1.9364560000e+00  4.3641100000e-01  1.8868100000e-01 -6.0818100000e-01 -1.1455100000e-01
-ENERGY -1.526607349505e+02
-FORCES -4.9066000000e-03  2.8572000000e-03  2.3083000000e-03  3.8527000000e-03 -1.2867000000e-03  1.9728000000e-03 -3.4670000000e-04 -1.6039000000e-03 -4.6325000000e-03  2.7746000000e-03  7.4021000000e-03 -1.6290000000e-03 -2.3387000000e-03  2.7819000000e-03 -6.7950000000e-04  9.6470000000e-04 -1.0150700000e-02  2.6599000000e-03
-
-JOB 30
-COORDS  1.6255600000e-01 -8.5322000000e-02 -1.4181130000e+00 -2.6208000000e-02  7.3315700000e-01 -1.8771260000e+00  9.6898000000e-01 -4.0632700000e-01 -1.8216820000e+00 -2.0652100000e-01  1.5850000000e-02  1.5021250000e+00 -3.7417800000e-01  1.6834000000e-02  5.5972300000e-01  2.0518000000e-01  8.6281900000e-01  1.6735220000e+00
-ENERGY -1.526598477420e+02
-FORCES  4.4530000000e-03 -2.5600000000e-04 -2.5006000000e-03  1.2574000000e-03 -3.5209000000e-03  3.3577000000e-03 -3.9282000000e-03  2.5296000000e-03  3.3030000000e-04  2.5822000000e-03  1.8107000000e-03 -9.4378000000e-03 -3.0500000000e-03  1.7564000000e-03  8.6574000000e-03 -1.3144000000e-03 -2.3199000000e-03 -4.0690000000e-04
-
-JOB 31
-COORDS  1.2454650000e+00 -6.0687400000e-01 -6.1585200000e-01  2.9865600000e-01 -4.7243700000e-01 -5.7448500000e-01  1.3846570000e+00 -1.4611060000e+00 -2.0701800000e-01 -1.1952150000e+00  5.9027100000e-01  5.5476500000e-01 -5.4170900000e-01  1.2704630000e+00  7.1755700000e-01 -1.9407520000e+00  8.3795400000e-01  1.1016290000e+00
-ENERGY -1.526603803862e+02
-FORCES -6.8854000000e-03 -2.6572000000e-03  3.2313000000e-03  7.6267000000e-03 -6.8900000000e-05 -2.2297000000e-03 -9.0100000000e-05  2.6914000000e-03 -1.5390000000e-03 -1.5400000000e-04  3.5053000000e-03  3.1537000000e-03 -4.4166000000e-03 -3.3256000000e-03 -1.1397000000e-03  3.9195000000e-03 -1.4490000000e-04 -1.4767000000e-03
-
-JOB 32
-COORDS -6.6537000000e-02 -6.4538900000e-01 -1.3038840000e+00  6.9643300000e-01 -1.2165150000e+00 -1.2148730000e+00 -7.5769200000e-01 -1.2182630000e+00 -1.6360770000e+00  7.6012000000e-02  6.6821600000e-01  1.3695040000e+00 -1.8492000000e-01  2.8282700000e-01  5.3307000000e-01  6.8544000000e-02  1.6122560000e+00  1.2115020000e+00
-ENERGY -1.526619499691e+02
-FORCES  1.4482000000e-03 -5.2392000000e-03 -2.2692000000e-03 -4.5556000000e-03  2.5018000000e-03 -6.1300000000e-04  3.6835000000e-03  2.4354000000e-03  1.7174000000e-03 -1.5489000000e-03 -4.1020000000e-04 -8.8804000000e-03  9.9380000000e-04  3.6733000000e-03  9.6002000000e-03 -2.0900000000e-05 -2.9611000000e-03  4.4500000000e-04
-
-JOB 33
-COORDS -7.0912400000e-01 -9.1750500000e-01  9.2842000000e-01 -1.0784200000e-01 -1.6622430000e+00  9.2082000000e-01 -1.3153610000e+00 -1.0911640000e+00  2.0831500000e-01  6.9972800000e-01  9.3227300000e-01 -9.2878800000e-01  2.0724800000e-01  1.0239320000e+00 -1.1313200000e-01  1.4253210000e+00  1.5504780000e+00 -8.4178900000e-01
-ENERGY -1.526584341326e+02
-FORCES  2.3989000000e-03 -4.8219000000e-03 -5.3930000000e-03 -3.2726000000e-03  2.2151000000e-03  9.4630000000e-04  2.1745000000e-03  1.2760000000e-03  3.7267000000e-03 -1.2728000000e-03 -5.0000000000e-06  6.2681000000e-03  2.6074000000e-03  4.2199000000e-03 -6.1366000000e-03 -2.6354000000e-03 -2.8841000000e-03  5.8840000000e-04
-
-JOB 34
-COORDS -6.1967900000e-01 -1.1503460000e+00 -6.6073100000e-01 -5.9145900000e-01 -1.4193930000e+00 -1.5789080000e+00 -1.5007570000e+00 -7.9577300000e-01 -5.4152200000e-01  6.5527000000e-01  1.1764840000e+00  7.6158200000e-01  1.2925370000e+00  1.3134000000e+00  6.0600000000e-02  4.4481000000e-02  5.2998200000e-01  4.0774100000e-01
-ENERGY -1.526583049929e+02
-FORCES -2.5856000000e-03 -1.7930000000e-03 -4.7577000000e-03 -7.0480000000e-04  1.0741000000e-03  4.3785000000e-03  6.6479000000e-03  7.1010000000e-04  4.8520000000e-04 -1.1360000000e-04 -7.6924000000e-03 -7.1469000000e-03 -1.4108000000e-03  8.1230000000e-04  2.4373000000e-03 -1.8330000000e-03  6.8888000000e-03  4.6036000000e-03
-
-JOB 35
-COORDS  1.2477100000e+00  4.1143800000e-01 -7.7760400000e-01  2.0996900000e+00  4.9887700000e-01 -3.5015200000e-01  6.4958800000e-01  1.6435200000e-01 -7.2316000000e-02 -1.2091950000e+00 -4.1074100000e-01  7.5870800000e-01 -1.2056570000e+00 -5.6290500000e-01 -1.8631300000e-01 -2.1011810000e+00 -1.2223900000e-01  9.5199500000e-01
-ENERGY -1.526593481751e+02
-FORCES -3.8910000000e-04 -1.7280000000e-04  7.1039000000e-03 -3.0453000000e-03 -9.3900000000e-05 -1.2360000000e-03  2.8516000000e-03 -1.2348000000e-03 -8.3893000000e-03 -6.0850000000e-03  1.1851000000e-03 -2.2992000000e-03  3.4052000000e-03  2.5535000000e-03  6.1951000000e-03  3.2625000000e-03 -2.2369000000e-03 -1.3745000000e-03
-
-JOB 36
-COORDS  1.1892700000e-01  1.5009140000e+00 -3.4789800000e-01  1.0380210000e+00  1.6641620000e+00 -5.5967100000e-01  7.7034000000e-02  5.6148300000e-01 -1.6915900000e-01 -1.8654100000e-01 -1.3874410000e+00  3.3694100000e-01 -4.7285200000e-01 -2.1875520000e+00 -1.0360400000e-01  4.6826600000e-01 -1.6829440000e+00  9.6950500000e-01
-ENERGY -1.526610748319e+02
-FORCES  1.1608000000e-03 -8.1326000000e-03  5.3650000000e-04 -2.7129000000e-03 -1.0133000000e-03  1.0602000000e-03  2.4478000000e-03  9.9303000000e-03 -1.1517000000e-03 -1.7860000000e-04 -4.9107000000e-03  2.0430000000e-04  2.0125000000e-03  2.7121000000e-03  3.1324000000e-03 -2.7297000000e-03  1.4143000000e-03 -3.7817000000e-03
-
-JOB 37
-COORDS  9.0391600000e-01 -8.6115200000e-01  7.5180600000e-01  1.4871610000e+00 -1.0873230000e+00  1.4763090000e+00  1.4237090000e+00 -1.0254410000e+00 -3.4995000000e-02 -9.7198700000e-01  9.1559200000e-01 -8.1294300000e-01 -2.7126700000e-01  1.0224030000e+00 -1.6965900000e-01 -1.5956920000e+00  3.2369500000e-01 -3.9237000000e-01
-ENERGY -1.526591001290e+02
-FORCES  4.3877000000e-03 -3.2649000000e-03 -1.4649000000e-03 -2.6272000000e-03  1.1642000000e-03 -3.5987000000e-03 -1.6121000000e-03  1.1465000000e-03  4.6776000000e-03  2.3424000000e-03 -5.1919000000e-03  7.7604000000e-03 -2.7998000000e-03  3.3690000000e-03 -4.7424000000e-03  3.0910000000e-04  2.7771000000e-03 -2.6321000000e-03
-
-JOB 38
-COORDS  1.3282990000e+00 -3.0073500000e-01  7.9098800000e-01  4.6459800000e-01  5.6522000000e-02  5.8454100000e-01  1.5289010000e+00 -8.8245700000e-01  5.7783000000e-02 -1.2968340000e+00  2.4928900000e-01 -7.1191700000e-01 -1.2371110000e+00  1.0979850000e+00 -2.7330600000e-01 -1.2824780000e+00  4.6009200000e-01 -1.6455050000e+00
-ENERGY -1.526573511124e+02
-FORCES -7.1077000000e-03 -2.5873000000e-03 -7.1879000000e-03  4.1078000000e-03  3.7956000000e-03  4.9371000000e-03  1.4256000000e-03  1.6261000000e-03  2.6678000000e-03 -1.2617000000e-03  4.3828000000e-03 -4.4049000000e-03  3.1377000000e-03 -6.2163000000e-03 -5.2010000000e-04 -3.0170000000e-04 -1.0009000000e-03  4.5080000000e-03
-
-JOB 39
-COORDS  7.1141500000e-01  1.1346930000e+00 -8.4483600000e-01 -1.3522800000e-01  6.9213500000e-01 -7.8509200000e-01  1.2334120000e+00  5.7724200000e-01 -1.4218960000e+00 -6.6310200000e-01 -1.0473130000e+00  8.1908500000e-01 -1.1213040000e+00 -6.6034000000e-01  1.5650970000e+00 -7.0699600000e-01 -1.9909270000e+00  9.7367300000e-01
-ENERGY -1.526569969891e+02
-FORCES -2.4590000000e-03 -8.3460000000e-03  1.1242000000e-03  2.4345000000e-03  5.6762000000e-03 -2.8860000000e-03 -1.2560000000e-03  2.4821000000e-03  1.2383000000e-03 -5.9950000000e-04 -2.0294000000e-03  4.7893000000e-03  1.4266000000e-03 -1.9706000000e-03 -3.8118000000e-03  4.5350000000e-04  4.1877000000e-03 -4.5410000000e-04
-
-JOB 40
-COORDS  1.3965720000e+00  4.6248200000e-01 -3.8001200000e-01  1.2756320000e+00  1.1855810000e+00  2.3540000000e-01  1.7394390000e+00  8.7629100000e-01 -1.1721210000e+00 -1.4471830000e+00 -5.8068300000e-01  4.1979300000e-01 -1.7649070000e+00  1.7705500000e-01 -7.1242000000e-02 -4.9791300000e-01 -4.6291400000e-01  4.5512300000e-01
-ENERGY -1.526581620878e+02
-FORCES  2.8759000000e-03  4.4849000000e-03 -3.1096000000e-03 -1.5915000000e-03 -4.6197000000e-03 -2.9441000000e-03 -1.2823000000e-03 -9.4160000000e-04  4.0837000000e-03  6.3081000000e-03  3.3290000000e-03 -4.8679000000e-03  2.6900000000e-05 -2.0210000000e-03  2.2470000000e-03 -6.3371000000e-03 -2.3150000000e-04  4.5909000000e-03
-
-JOB 41
-COORDS -4.4300200000e-01  1.4889560000e+00  1.7790100000e-01  2.5960000000e-02  2.0064920000e+00  8.3247200000e-01  1.0897800000e-01  1.5324690000e+00 -6.0290400000e-01  3.2571100000e-01 -1.5443360000e+00 -1.7005700000e-01  1.1516160000e+00 -2.0078960000e+00 -3.1408000000e-02  5.8219200000e-01 -6.3194500000e-01 -3.0419000000e-01
-ENERGY -1.526535851512e+02
-FORCES  1.7592000000e-03  4.7856000000e-03  6.7050000000e-04 -1.9155000000e-03 -2.7014000000e-03 -3.3693000000e-03 -1.0476000000e-03 -4.3204000000e-03  4.7796000000e-03  2.0758000000e-03  4.0661000000e-03  1.6122000000e-03 -3.3117000000e-03  2.5875000000e-03 -2.6770000000e-04  2.4398000000e-03 -4.4174000000e-03 -3.4253000000e-03
-
-JOB 42
-COORDS -1.9770100000e-01 -1.1200970000e+00 -1.1853970000e+00 -7.6195500000e-01 -1.5987520000e+00 -5.7816000000e-01 -1.6466700000e-01 -2.3105300000e-01 -8.3220900000e-01  2.2099600000e-01  1.1310080000e+00  1.0775790000e+00 -3.2284600000e-01  1.0123560000e+00  1.8562900000e+00  9.5813900000e-01  5.3414700000e-01  1.2064530000e+00
-ENERGY -1.526591215268e+02
-FORCES -3.2466000000e-03  4.6680000000e-03  5.1309000000e-03  2.3361000000e-03  8.9650000000e-04 -1.9350000000e-03  1.3223000000e-03 -6.6752000000e-03 -4.3577000000e-03  1.7857000000e-03 -1.3971000000e-03  6.3006000000e-03  2.5630000000e-03 -6.2500000000e-05 -3.6611000000e-03 -4.7606000000e-03  2.5704000000e-03 -1.4777000000e-03
-
-JOB 43
-COORDS  6.5711300000e-01  1.1029890000e+00  1.0725320000e+00 -1.2033400000e-01  7.0124800000e-01  6.8470200000e-01  1.3882240000e+00  7.4830600000e-01  5.6665800000e-01 -6.2945200000e-01 -1.0283330000e+00 -9.6161100000e-01 -9.0750500000e-01 -1.9393180000e+00 -1.0566080000e+00 -8.4202100000e-01 -6.2359400000e-01 -1.8025820000e+00
-ENERGY -1.526593831729e+02
-FORCES -1.3845000000e-03 -6.5940000000e-03 -5.3480000000e-03  2.5203000000e-03  5.5572000000e-03  3.5227000000e-03 -9.8490000000e-04  2.6924000000e-03  2.2996000000e-03 -2.4471000000e-03 -4.0498000000e-03 -4.1716000000e-03  1.2077000000e-03  4.1190000000e-03 -4.8200000000e-04  1.0885000000e-03 -1.7247000000e-03  4.1794000000e-03
-
-JOB 44
-COORDS -1.5183250000e+00  3.8803900000e-01  4.3965900000e-01 -6.2121400000e-01  1.6587100000e-01  6.8878700000e-01 -1.7657770000e+00  1.0933320000e+00  1.0376240000e+00  1.4268570000e+00 -3.7530600000e-01 -5.0735000000e-01  1.6372490000e+00 -1.2991620000e+00 -6.4320600000e-01  2.1562790000e+00 -3.6906000000e-02  1.1939000000e-02
-ENERGY -1.526574146998e+02
-FORCES  5.4632000000e-03  8.2250000000e-04  9.0690000000e-04 -7.3816000000e-03  1.9726000000e-03  3.3697000000e-03  1.5783000000e-03 -2.5367000000e-03 -2.1702000000e-03  5.4883000000e-03 -3.3397000000e-03 -1.7108000000e-03 -6.3770000000e-04  4.4859000000e-03  1.0407000000e-03 -4.5106000000e-03 -1.4045000000e-03 -1.4362000000e-03
-
-JOB 45
-COORDS -1.1179430000e+00  1.1895200000e-01  1.1855870000e+00 -9.5918900000e-01  4.4754200000e-01  2.0704920000e+00 -3.0155800000e-01  2.8999000000e-01  7.1602100000e-01  1.0614360000e+00 -1.8990700000e-01 -1.1591080000e+00  1.3409830000e+00  7.1970100000e-01 -1.0556770000e+00  8.5630600000e-01 -2.7352000000e-01 -2.0903240000e+00
-ENERGY -1.526570105445e+02
-FORCES  5.0438000000e-03 -3.6720000000e-04 -9.2300000000e-04 -4.4000000000e-06 -9.7790000000e-04 -3.7931000000e-03 -4.2946000000e-03  3.6189000000e-03  5.8385000000e-03  3.1020000000e-04  1.3626000000e-03 -7.0034000000e-03 -3.1249000000e-03 -4.3524000000e-03  2.0562000000e-03  2.0699000000e-03  7.1600000000e-04  3.8249000000e-03
-
-JOB 46
-COORDS  6.6837900000e-01 -1.1692140000e+00  9.2113100000e-01  1.6872600000e-01 -1.9678520000e+00  1.0907040000e+00  6.3670000000e-01 -1.0636480000e+00 -2.9702000000e-02 -6.4932100000e-01  1.1971260000e+00 -8.1738600000e-01 -1.2595130000e+00  1.4793940000e+00 -1.4987250000e+00  1.8147600000e-01  1.0721240000e+00 -1.2760620000e+00
-ENERGY -1.526527562966e+02
-FORCES -5.1509000000e-03 -9.1680000000e-04 -3.7265000000e-03  2.2484000000e-03  2.8304000000e-03 -4.2110000000e-04  3.1381000000e-03 -9.1100000000e-04  2.5257000000e-03  9.4320000000e-04  2.6712000000e-03 -4.0580000000e-03  2.5873000000e-03 -1.5932000000e-03  3.4279000000e-03 -3.7661000000e-03 -2.0807000000e-03  2.2520000000e-03
-
-JOB 47
-COORDS  1.4855800000e+00  1.4250400000e-01  5.5703000000e-01  2.3239180000e+00  1.6293300000e-01  1.0185530000e+00  1.2786340000e+00  1.0628180000e+00  3.9446700000e-01 -1.5393330000e+00 -1.3761000000e-01 -5.6408900000e-01 -6.5722800000e-01 -3.9373600000e-01 -8.3338900000e-01 -2.0038740000e+00 -9.6599100000e-01 -4.4484700000e-01
-ENERGY -1.526574067303e+02
-FORCES  2.5574000000e-03  4.4269000000e-03  2.7891000000e-03 -3.6618000000e-03  3.0620000000e-04 -1.5848000000e-03  1.9341000000e-03 -4.5282000000e-03 -3.0860000000e-04  3.7175000000e-03 -5.3530000000e-03  1.1259000000e-03 -5.8766000000e-03  2.1675000000e-03 -1.2759000000e-03  1.3293000000e-03  2.9806000000e-03 -7.4570000000e-04
-
-JOB 48
-COORDS -6.1617000000e-01  1.2940150000e+00  8.9797200000e-01 -6.6216900000e-01  1.0271220000e+00 -2.0115000000e-02  3.1607300000e-01  1.2576280000e+00  1.1120530000e+00  5.6302500000e-01 -1.2181660000e+00 -8.7530600000e-01 -1.3169700000e-01 -1.7059630000e+00 -4.3298600000e-01  1.2842450000e+00 -1.8429520000e+00 -9.5090100000e-01
-ENERGY -1.526580772709e+02
-FORCES  5.8040000000e-03 -2.7035000000e-03 -4.7816000000e-03 -2.6112000000e-03  2.2439000000e-03  4.3045000000e-03 -3.5783000000e-03  1.4076000000e-03  9.1410000000e-04  3.4610000000e-04 -5.6804000000e-03  1.4902000000e-03  3.1718000000e-03  2.2845000000e-03 -2.7110000000e-03 -3.1324000000e-03  2.4478000000e-03  7.8380000000e-04
-
-JOB 49
-COORDS  9.0067500000e-01 -1.0373860000e+00  9.8837000000e-01  1.7866550000e+00 -8.0971200000e-01  7.0652600000e-01  3.8171600000e-01 -2.5435300000e-01  8.0459800000e-01 -8.8431400000e-01  9.7749300000e-01 -9.0905900000e-01 -5.9654600000e-01  8.0727600000e-01 -1.8059690000e+00 -1.7781320000e+00  1.3070890000e+00 -1.0022670000e+00
-ENERGY -1.526590307475e+02
-FORCES -8.3550000000e-04  5.7551000000e-03 -3.1895000000e-03 -2.9153000000e-03 -1.1270000000e-03  6.9870000000e-04  4.7920000000e-03 -5.0374000000e-03  4.2312000000e-03 -3.5645000000e-03  2.6890000000e-04 -5.2368000000e-03 -1.3725000000e-03  1.4798000000e-03  3.7068000000e-03  3.8958000000e-03 -1.3393000000e-03 -2.1030000000e-04
-
-JOB 50
-COORDS -3.6041300000e-01 -1.4199220000e+00 -7.2323000000e-01 -1.2360930000e+00 -1.7183380000e+00 -9.6892100000e-01 -1.7520600000e-01 -1.8715290000e+00  1.0016600000e-01  4.0682300000e-01  1.4850120000e+00  7.4914600000e-01  1.1349990000e+00  1.1023600000e+00  2.5968800000e-01 -3.3554900000e-01  1.4437250000e+00  1.4630900000e-01
-ENERGY -1.526571299485e+02
-FORCES -2.7086000000e-03 -3.9484000000e-03  3.4116000000e-03  3.5248000000e-03  1.7497000000e-03  1.1951000000e-03 -6.6410000000e-04  1.2770000000e-03 -4.1981000000e-03 -8.6710000000e-04 -4.4506000000e-03 -6.6611000000e-03 -1.2586000000e-03  2.5725000000e-03  3.1071000000e-03  1.9737000000e-03  2.7998000000e-03  3.1455000000e-03
-
-JOB 51
-COORDS  6.9698800000e-01 -1.6197460000e+00 -6.3814300000e-01  6.0639600000e-01 -1.9975620000e+00  2.3666000000e-01  1.5313700000e-01 -8.3233900000e-01 -6.1698300000e-01 -6.8092000000e-01  1.5531610000e+00  5.4224400000e-01  2.0177100000e-01  1.7878390000e+00  8.2862700000e-01 -1.2595320000e+00  2.0909560000e+00  1.0828140000e+00
-ENERGY -1.526580129172e+02
-FORCES -4.1804000000e-03  2.6721000000e-03  3.6737000000e-03  9.5590000000e-04  9.9210000000e-04 -3.1830000000e-03  4.2460000000e-03 -5.2063000000e-03 -1.1590000000e-03  2.1270000000e-04  5.1302000000e-03  3.8726000000e-03 -4.1489000000e-03 -1.6141000000e-03 -1.1940000000e-03  2.9146000000e-03 -1.9741000000e-03 -2.0104000000e-03
-
-JOB 52
-COORDS  1.8337040000e+00 -8.0800000000e-01  3.4150000000e-03  1.7222360000e+00  1.3133900000e-01  1.4986900000e-01  9.6010200000e-01 -1.1766400000e+00  1.3440200000e-01 -1.8362580000e+00  8.0300800000e-01  4.8930000000e-03 -1.4208620000e+00 -2.0151000000e-02  2.6196700000e-01 -1.2712870000e+00  1.1518630000e+00 -6.8455500000e-01
-ENERGY -1.526526087799e+02
-FORCES -2.6605000000e-03  2.0480000000e-03  1.9665000000e-03 -2.1240000000e-04 -4.3993000000e-03 -1.3765000000e-03  2.3463000000e-03  2.5002000000e-03 -9.0380000000e-04  2.5986000000e-03 -1.7029000000e-03 -2.5563000000e-03 -1.6110000000e-04  3.2119000000e-03 -9.4230000000e-04 -1.9108000000e-03 -1.6579000000e-03  3.8124000000e-03
-
-JOB 53
-COORDS  1.1026900000e+00  1.5892310000e+00  4.3432300000e-01  4.3601800000e-01  9.2749800000e-01  6.1841400000e-01  1.0642080000e+00  2.1835990000e+00  1.1836420000e+00 -1.0844840000e+00 -1.5863080000e+00 -4.2969700000e-01 -3.7327200000e-01 -2.1417940000e+00 -7.4882600000e-01 -1.3421650000e+00 -1.0656360000e+00 -1.1904430000e+00
-ENERGY -1.526571545576e+02
-FORCES -3.2250000000e-03 -1.0825000000e-03  4.0863000000e-03  3.7998000000e-03  4.7728000000e-03 -8.0220000000e-04  1.4330000000e-04 -2.2617000000e-03 -2.9202000000e-03  1.2497000000e-03 -1.9243000000e-03 -5.6772000000e-03 -3.2035000000e-03  2.4479000000e-03  1.4822000000e-03  1.2357000000e-03 -1.9522000000e-03  3.8311000000e-03
-
-JOB 54
-COORDS -9.9450000000e-01 -1.2162680000e+00  1.2014820000e+00 -1.8444140000e+00 -1.6358720000e+00  1.3349350000e+00 -4.9716500000e-01 -1.4246380000e+00  1.9923500000e+00  1.0649980000e+00  1.2537580000e+00 -1.2035700000e+00  1.1267850000e+00  1.5288570000e+00 -2.1183020000e+00  1.6677500000e-01  9.3694800000e-01 -1.1083930000e+00
-ENERGY -1.526557275724e+02
-FORCES -7.2040000000e-04 -2.9542000000e-03  4.6446000000e-03  3.4794000000e-03  1.8228000000e-03 -7.1400000000e-04 -2.6297000000e-03  5.1220000000e-04 -3.0582000000e-03 -4.0628000000e-03 -1.1516000000e-03 -2.3946000000e-03 -2.4530000000e-04 -1.0551000000e-03  3.5366000000e-03  4.1789000000e-03  2.8260000000e-03 -2.0144000000e-03
-
-JOB 55
-COORDS -1.0218130000e+00  1.7401490000e+00 -3.4029200000e-01 -3.8590300000e-01  2.2916460000e+00 -7.9603400000e-01 -1.8228270000e+00  2.2637960000e+00 -3.2025200000e-01  1.0380140000e+00 -1.7595770000e+00  3.1336300000e-01  8.2886000000e-01 -1.5766340000e+00  1.2293420000e+00  1.1227940000e+00 -2.7121250000e+00  2.7218200000e-01
-ENERGY -1.526536385613e+02
-FORCES -1.2920000000e-04  4.0634000000e-03 -2.4482000000e-03 -2.9047000000e-03 -1.7948000000e-03  2.0384000000e-03  3.2378000000e-03 -2.2927000000e-03  7.3500000000e-05 -1.4140000000e-03 -2.3826000000e-03  3.7223000000e-03  1.5138000000e-03 -1.4454000000e-03 -3.4398000000e-03 -3.0370000000e-04  3.8520000000e-03  5.3800000000e-05
-
-JOB 56
-COORDS  3.8230500000e-01  2.0719410000e+00 -3.8968400000e-01  1.2042090000e+00  2.1377110000e+00 -8.7587300000e-01  3.7934900000e-01  1.1797780000e+00 -4.2887000000e-02 -4.6539000000e-01 -2.0326410000e+00  4.6686300000e-01  4.0881900000e-01 -2.3538620000e+00  2.4593900000e-01 -7.8744200000e-01 -1.6369570000e+00 -3.4304400000e-01
-ENERGY -1.526548087115e+02
-FORCES  3.4128000000e-03 -3.0200000000e-03  5.5580000000e-04 -3.4456000000e-03 -5.6000000000e-04  1.8275000000e-03  1.5550000000e-04  4.1328000000e-03 -3.0384000000e-03  1.0810000000e-03 -1.9395000000e-03 -4.3206000000e-03 -3.5886000000e-03  2.2442000000e-03  9.4660000000e-04  2.3849000000e-03 -8.5750000000e-04  4.0291000000e-03
-
-JOB 57
-COORDS  1.1672370000e+00  1.3875900000e-01 -1.7353510000e+00  1.9752070000e+00 -3.6673300000e-01 -1.8242080000e+00  4.8780100000e-01 -4.2882700000e-01 -2.0992810000e+00 -1.1587790000e+00 -9.0450000000e-02  1.8254660000e+00 -1.6945870000e+00 -6.1114100000e-01  1.2271170000e+00 -9.0223800000e-01  6.7601000000e-01  1.3126720000e+00
-ENERGY -1.526549163675e+02
-FORCES  1.5959000000e-03 -4.7967000000e-03 -1.9940000000e-03 -3.4316000000e-03  2.1091000000e-03  1.5000000000e-06  2.2673000000e-03  2.5498000000e-03  1.8700000000e-03 -1.3200000000e-04  1.4759000000e-03 -5.1084000000e-03  1.8400000000e-03  1.7150000000e-03  2.3336000000e-03 -2.1396000000e-03 -3.0532000000e-03  2.8972000000e-03
-
-JOB 58
-COORDS -7.6885000000e-01  1.4907760000e+00 -1.4287520000e+00 -5.4006500000e-01  2.3462540000e+00 -1.0653700000e+00 -1.0252260000e+00  9.6807800000e-01 -6.6895600000e-01  8.1231100000e-01 -1.5021300000e+00  1.4096300000e+00  7.6729800000e-01 -2.2334500000e+00  7.9369500000e-01  1.1059000000e-01 -9.1246600000e-01  1.1337410000e+00
-ENERGY -1.526529323595e+02
-FORCES  2.2000000000e-06  2.4600000000e-03  4.2712000000e-03 -1.1858000000e-03 -3.7718000000e-03 -1.5766000000e-03  1.5709000000e-03  8.5990000000e-04 -2.4692000000e-03 -2.4470000000e-03 -1.1632000000e-03 -4.1262000000e-03  1.9300000000e-05  3.0686000000e-03  2.9075000000e-03  2.0405000000e-03 -1.4535000000e-03  9.9340000000e-04
-
-JOB 59
-COORDS -1.1945290000e+00  1.8665300000e+00  2.5597800000e-01 -1.4880390000e+00  1.3198170000e+00 -4.7284800000e-01 -9.7811300000e-01  2.7074630000e+00 -1.4679800000e-01  1.2284080000e+00 -1.9380990000e+00 -1.8115700000e-01  1.5077480000e+00 -1.2188510000e+00 -7.4762200000e-01  4.4706500000e-01 -1.6059010000e+00  2.6086100000e-01
-ENERGY -1.526547219452e+02
-FORCES -1.1405000000e-03  2.5441000000e-03 -4.4815000000e-03  2.0784000000e-03  1.5699000000e-03  3.3107000000e-03 -8.6510000000e-04 -3.7154000000e-03  1.5766000000e-03 -1.7632000000e-03  4.8698000000e-03  4.7450000000e-04 -1.2316000000e-03 -3.1935000000e-03  1.6796000000e-03  2.9220000000e-03 -2.0750000000e-03 -2.5600000000e-03
-
-JOB 60
-COORDS -1.9242450000e+00  1.1392280000e+00  5.6823000000e-02 -1.2896700000e+00  1.5888010000e+00  6.1488300000e-01 -2.0002010000e+00  1.6967210000e+00 -7.1755600000e-01  1.9239180000e+00 -1.2595340000e+00 -2.6579000000e-02  2.3920280000e+00 -4.3169000000e-01 -1.3510700000e-01  1.0044710000e+00 -1.0360730000e+00 -1.7119400000e-01
-ENERGY -1.526550213205e+02
-FORCES  6.7570000000e-04  5.1308000000e-03 -4.8680000000e-04 -2.0312000000e-03 -2.4676000000e-03 -2.8886000000e-03  7.1860000000e-04 -2.5371000000e-03  3.3205000000e-03 -2.5022000000e-03  3.8335000000e-03 -1.2423000000e-03 -1.8920000000e-03 -3.0739000000e-03  5.7730000000e-04  5.0312000000e-03 -8.8580000000e-04  7.1990000000e-04
-
-JOB 61
-COORDS -1.5616720000e+00  1.3606700000e+00 -6.7497100000e-01 -1.6516050000e+00  1.2144440000e+00 -1.6166510000e+00 -2.2404360000e+00  2.0023700000e+00 -4.6584900000e-01  1.5524260000e+00 -1.4389140000e+00  7.1098500000e-01  1.4601250000e+00 -4.8630500000e-01  7.2672100000e-01  2.4936760000e+00 -1.5902750000e+00  7.9683600000e-01
-ENERGY -1.526549761622e+02
-FORCES -3.7666000000e-03  1.5681000000e-03 -3.2057000000e-03  3.8690000000e-04  1.0024000000e-03  3.8722000000e-03  2.8602000000e-03 -2.5488000000e-03 -9.1890000000e-04  2.5612000000e-03  3.9358000000e-03  3.6590000000e-04  1.6913000000e-03 -4.5019000000e-03  2.8470000000e-04 -3.7330000000e-03  5.4440000000e-04 -3.9830000000e-04
-
-JOB 62
-COORDS -6.8420100000e-01  2.7432500000e-01  2.1449570000e+00 -2.2178700000e-01 -4.6511100000e-01  2.5394690000e+00 -3.9937000000e-02  9.8216800000e-01  2.1342410000e+00  6.7523700000e-01 -2.8005700000e-01 -2.2106340000e+00 -5.2324000000e-02  3.4160800000e-01 -2.2311050000e+00  5.4573300000e-01 -7.7448800000e-01 -1.4013140000e+00
-ENERGY -1.526553810265e+02
-FORCES  4.3623000000e-03  3.5740000000e-04  2.9691000000e-03 -1.8851000000e-03  2.9816000000e-03 -2.1885000000e-03 -2.8045000000e-03 -3.2027000000e-03 -3.0700000000e-04 -4.2912000000e-03  4.4970000000e-04  3.5605000000e-03  3.2420000000e-03 -2.2676000000e-03 -3.9970000000e-04  1.3764000000e-03  1.6815000000e-03 -3.6344000000e-03
-
-JOB 63
-COORDS -3.3021300000e-01 -2.1834300000e+00  3.8278800000e-01 -6.0811700000e-01 -1.6985600000e+00  1.1598990000e+00  4.7394000000e-02 -2.9927660000e+00  7.2719800000e-01  3.2830000000e-01  2.1797200000e+00 -3.9564500000e-01 -4.0810700000e-01  2.6845110000e+00 -7.4078600000e-01  9.5338400000e-01  2.1415830000e+00 -1.1195570000e+00
-ENERGY -1.526543156623e+02
-FORCES  5.2210000000e-04 -3.4740000000e-04  4.7642000000e-03  7.7480000000e-04 -2.8754000000e-03 -2.9154000000e-03 -1.4661000000e-03  3.2077000000e-03 -1.5020000000e-03 -3.5110000000e-04  1.1697000000e-03 -4.9103000000e-03  2.9460000000e-03 -1.8959000000e-03  1.5879000000e-03 -2.4257000000e-03  7.4120000000e-04  2.9756000000e-03
-
-JOB 64
-COORDS  2.3069070000e+00  2.8882700000e-01 -3.4653200000e-01  2.6214680000e+00  9.3331800000e-01  2.8743500000e-01  1.6973630000e+00  7.7559300000e-01 -9.0128100000e-01 -2.3009680000e+00 -3.1416300000e-01  2.8784700000e-01 -2.5987110000e+00 -1.2223670000e+00  3.4024100000e-01 -1.8491550000e+00 -1.6147200000e-01  1.1177760000e+00
-ENERGY -1.526548113246e+02
-FORCES -1.4847000000e-03  4.6316000000e-03 -3.1550000000e-04 -1.3978000000e-03 -2.7143000000e-03 -2.3209000000e-03  3.1335000000e-03 -1.7925000000e-03  2.4582000000e-03  9.5150000000e-04 -3.6804000000e-03  3.6509000000e-03  9.3800000000e-04  3.7666000000e-03 -1.4480000000e-04 -2.1405000000e-03 -2.1090000000e-04 -3.3279000000e-03
-
-JOB 65
-COORDS  1.0314160000e+00 -7.1132400000e-01 -1.9853100000e+00  1.0801820000e+00 -1.1929850000e+00 -2.8110560000e+00  1.6182000000e-01 -3.1133400000e-01 -1.9917890000e+00 -9.6352700000e-01  7.2179900000e-01  1.9719050000e+00 -1.5971170000e+00  1.2768260000e+00  2.4265920000e+00 -7.3021800000e-01  4.9669000000e-02  2.6122500000e+00
-ENERGY -1.526544117634e+02
-FORCES -3.7708000000e-03  1.7620000000e-04 -2.7246000000e-03 -1.3870000000e-04  1.8737000000e-03  3.3407000000e-03  3.7512000000e-03 -1.9805000000e-03 -9.5530000000e-04 -1.0426000000e-03 -6.9160000000e-04  4.7621000000e-03  2.5125000000e-03 -2.2760000000e-03 -2.0010000000e-03 -1.3116000000e-03  2.8982000000e-03 -2.4218000000e-03
-
-JOB 66
-COORDS -4.0636100000e-01  2.1281420000e+00 -1.0173440000e+00 -1.0651480000e+00  2.5709020000e+00 -4.8237200000e-01  3.1795000000e-01  2.7516360000e+00 -1.0708190000e+00  4.1736300000e-01 -2.2498980000e+00  9.8129500000e-01  3.8818000000e-02 -1.8153970000e+00  1.7455870000e+00  5.6459400000e-01 -1.5436740000e+00  3.5216700000e-01
-ENERGY -1.526553168492e+02
-FORCES -8.1000000000e-05  5.1888000000e-03  1.3095000000e-03  2.9061000000e-03 -2.0140000000e-03 -2.0091000000e-03 -3.0074000000e-03 -2.7663000000e-03  4.1250000000e-04 -1.1890000000e-03  5.1725000000e-03 -8.0600000000e-05  1.5078000000e-03 -1.9154000000e-03 -2.6725000000e-03 -1.3650000000e-04 -3.6656000000e-03  3.0402000000e-03
-
-JOB 67
-COORDS  3.7563400000e-01 -1.5638330000e+00 -1.9834910000e+00  5.6479000000e-01 -1.4037190000e+00 -1.0589290000e+00  5.1500900000e-01 -7.1688000000e-01 -2.4071390000e+00 -3.9860000000e-01  1.4667170000e+00  1.9079110000e+00  2.1406700000e-01  2.1929320000e+00  2.0240290000e+00 -9.2967100000e-01  1.4711010000e+00  2.7042630000e+00
-ENERGY -1.526551620525e+02
-FORCES  8.3870000000e-04  4.5730000000e-03  2.7460000000e-03 -2.6770000000e-04 -1.2906000000e-03 -4.2753000000e-03 -3.1350000000e-04 -3.4780000000e-03  1.2387000000e-03 -1.6900000000e-04  3.2120000000e-03  4.1837000000e-03 -2.4177000000e-03 -3.1096000000e-03 -6.5570000000e-04  2.3290000000e-03  9.3200000000e-05 -3.2375000000e-03
-
-JOB 68
-COORDS -2.1344000000e-02  1.8018490000e+00  1.9560630000e+00 -5.4512100000e-01  2.6008320000e+00  2.0153500000e+00  8.7936900000e-01  2.0944960000e+00  2.0950100000e+00  2.8411000000e-02 -1.8173000000e+00 -1.9330860000e+00 -3.8703800000e-01 -1.7431180000e+00 -2.7922320000e+00 -6.8852000000e-02 -2.7401630000e+00 -1.6983600000e+00
-ENERGY -1.526534065050e+02
-FORCES  1.7210000000e-03  4.2217000000e-03  3.1360000000e-04  2.0574000000e-03 -3.2310000000e-03 -1.5560000000e-04 -3.7057000000e-03 -1.0672000000e-03 -3.1910000000e-04 -2.3222000000e-03 -3.3082000000e-03 -2.1328000000e-03  1.7582000000e-03 -2.9480000000e-04  3.4078000000e-03  4.9130000000e-04  3.6795000000e-03 -1.1139000000e-03
-
-JOB 69
-COORDS -6.7485500000e-01  2.4613870000e+00 -1.7791700000e+00 -8.6720800000e-01  2.6758630000e+00 -8.6635400000e-01 -1.2281920000e+00  1.7038600000e+00 -1.9694390000e+00  6.6993800000e-01 -2.4090830000e+00  1.7011800000e+00  1.4349880000e+00 -2.9048360000e+00  1.4093600000e+00  7.9016600000e-01 -2.3165000000e+00  2.6462760000e+00
-ENERGY -1.526544463621e+02
-FORCES -2.9074000000e-03 -2.6734000000e-03  3.1961000000e-03  7.1250000000e-04 -5.4850000000e-04 -3.7426000000e-03  2.1043000000e-03  3.2992000000e-03  5.2780000000e-04  3.8402000000e-03 -1.7208000000e-03  2.6064000000e-03 -3.1809000000e-03  1.9664000000e-03  1.2625000000e-03 -5.6870000000e-04 -3.2290000000e-04 -3.8502000000e-03
-
-JOB 70
-COORDS -7.7358400000e-01 -2.9968380000e+00  3.0633600000e-01 -2.0012500000e-01 -3.2712050000e+00 -4.0927400000e-01 -1.6592760000e+00 -3.1221420000e+00 -3.4370000000e-02  8.4540300000e-01  3.0495960000e+00 -2.3150600000e-01  7.4711500000e-01  2.2092150000e+00 -6.7909100000e-01 -5.1001000000e-02  3.3609700000e+00 -1.0605700000e-01
-ENERGY -1.526541677546e+02
-FORCES -1.2497000000e-03 -2.1107000000e-03 -4.1073000000e-03 -2.3999000000e-03  1.3593000000e-03  2.8665000000e-03  3.6629000000e-03  7.1420000000e-04  1.3361000000e-03 -4.1090000000e-03 -2.4622000000e-03 -9.7650000000e-04  4.6910000000e-04  3.6177000000e-03  1.5105000000e-03  3.6266000000e-03 -1.1184000000e-03 -6.2920000000e-04
-
-JOB 71
-COORDS -1.0754010000e+00 -2.9735280000e+00 -5.8596300000e-01 -2.5504400000e-01 -2.7176560000e+00 -1.0075960000e+00 -1.0823420000e+00 -3.9294580000e+00 -6.3475900000e-01  1.0341340000e+00  2.9634090000e+00  5.6612100000e-01  1.7372210000e+00  3.5742490000e+00  7.8697300000e-01  3.1046400000e-01  3.2124410000e+00  1.1410270000e+00
-ENERGY -1.526541863817e+02
-FORCES  3.5001000000e-03 -2.5308000000e-03 -1.9416000000e-03 -3.4247000000e-03 -1.3682000000e-03  1.6592000000e-03 -1.5500000000e-05  3.8412000000e-03  2.2350000000e-04 -3.2500000000e-04  3.4297000000e-03  3.3375000000e-03 -2.8078000000e-03 -2.5089000000e-03 -9.3510000000e-04  3.0729000000e-03 -8.6310000000e-04 -2.3435000000e-03
-
-JOB 72
-COORDS -7.9979700000e-01 -1.8238800000e+00  2.6517660000e+00 -1.5120530000e+00 -2.2699490000e+00  3.1099630000e+00 -1.1760370000e+00 -9.8646900000e-01  2.3808080000e+00  8.5362300000e-01  1.7400960000e+00 -2.6350610000e+00  2.0802600000e-01  2.2245200000e+00 -3.1496200000e+00  1.5987570000e+00  2.3364830000e+00 -2.5620600000e+00
-ENERGY -1.526540051540e+02
-FORCES -4.3409000000e-03  1.7156000000e-03  4.0550000000e-04  2.8897000000e-03  1.7883000000e-03 -1.8083000000e-03  1.3949000000e-03 -3.4608000000e-03  1.4131000000e-03  6.1600000000e-04  4.3137000000e-03 -1.8869000000e-03  2.5604000000e-03 -1.9761000000e-03  2.1817000000e-03 -3.1201000000e-03 -2.3806000000e-03 -3.0510000000e-04
-
-JOB 73
-COORDS  1.3550170000e+00 -2.2076600000e-01  3.3757790000e+00  1.8681980000e+00  4.4166500000e-01  2.9131110000e+00  8.7729500000e-01 -6.7992600000e-01  2.6849920000e+00 -1.3091930000e+00  2.5179900000e-01 -3.2851480000e+00 -2.2340560000e+00  2.7876200000e-01 -3.0399290000e+00 -1.2333500000e+00 -5.1618200000e-01 -3.8514390000e+00
-ENERGY -1.526544130299e+02
-FORCES  1.3980000000e-04  9.2740000000e-04 -4.9015000000e-03 -2.0230000000e-03 -2.6998000000e-03  2.0193000000e-03  1.9025000000e-03  1.7456000000e-03  2.9618000000e-03 -3.5984000000e-03 -2.9309000000e-03 -1.5919000000e-03  3.8533000000e-03 -1.5810000000e-04 -9.0220000000e-04 -2.7420000000e-04  3.1159000000e-03  2.4146000000e-03
-
-JOB 74
-COORDS  8.8545700000e-01 -7.8600900000e-01 -3.4213570000e+00  1.3300620000e+00 -1.0235460000e+00 -2.6076410000e+00  1.3576040000e+00 -1.2659840000e+00 -4.1017490000e+00 -9.4698300000e-01  8.3343900000e-01  3.4743660000e+00 -1.4956950000e+00  1.3228500000e+00  2.8614850000e+00 -3.5809500000e-01  3.2547600000e-01  2.9163190000e+00
-ENERGY -1.526541086608e+02
-FORCES  3.8397000000e-03 -3.0141000000e-03  2.6270000000e-04 -1.9438000000e-03  1.0655000000e-03 -3.1115000000e-03 -1.9336000000e-03  1.9706000000e-03  2.8353000000e-03  2.7900000000e-05  4.7000000000e-06 -4.8455000000e-03  2.2826000000e-03 -2.0162000000e-03  2.5749000000e-03 -2.2729000000e-03  1.9895000000e-03  2.2841000000e-03
-
-JOB 75
-COORDS  1.2197500000e+00  3.2850940000e+00  1.2444870000e+00  1.6181330000e+00  3.1942080000e+00  2.1100870000e+00  4.0464300000e-01  3.7608310000e+00  1.4041990000e+00 -1.1449130000e+00 -3.2857980000e+00 -1.3352810000e+00 -2.0533110000e+00 -2.9927150000e+00 -1.4070210000e+00 -1.1489910000e+00 -3.9031800000e+00 -6.0380700000e-01
-ENERGY -1.526538122957e+02
-FORCES -1.6687000000e-03  1.4626000000e-03  4.1123000000e-03 -1.6413000000e-03  4.0600000000e-04 -3.5026000000e-03  3.3020000000e-03 -1.9218000000e-03 -6.3090000000e-04 -3.6352000000e-03 -1.1487000000e-03  2.7129000000e-03  3.6514000000e-03 -1.2663000000e-03  2.8910000000e-04 -8.1000000000e-06  2.4681000000e-03 -2.9808000000e-03
-
-JOB 76
-COORDS -3.0059300000e-01  3.1310710000e+00  2.4858120000e+00 -9.2452100000e-01  3.6030880000e+00  3.0373060000e+00 -5.9790400000e-01  2.2215730000e+00  2.5113470000e+00  3.6293600000e-01 -3.1427180000e+00 -2.5701370000e+00 -3.0475800000e-01 -3.2011690000e+00 -1.8867630000e+00  9.0304200000e-01 -2.3949050000e+00 -2.3146100000e+00
-ENERGY -1.526540201758e+02
-FORCES -3.8009000000e-03 -1.6044000000e-03  2.4872000000e-03  2.5548000000e-03 -1.9813000000e-03 -2.2748000000e-03  1.2644000000e-03  3.5919000000e-03 -2.3810000000e-04 -4.4330000000e-04  2.8655000000e-03  3.7435000000e-03  2.6894000000e-03  2.4240000000e-04 -2.7273000000e-03 -2.2645000000e-03 -3.1142000000e-03 -9.9050000000e-04
-
-JOB 77
-COORDS  7.6282500000e-01 -6.7993200000e-01  4.0789430000e+00  5.9896700000e-01  5.0616000000e-02  3.4825520000e+00  1.5306760000e+00 -1.1199210000e+00  3.7141870000e+00 -7.6418000000e-01  6.1701100000e-01 -3.9897890000e+00 -5.4907800000e-01  9.5318500000e-01 -4.8598190000e+00 -1.5579520000e+00  1.0897080000e+00 -3.7393580000e+00
-ENERGY -1.526542433151e+02
-FORCES  2.4570000000e-03  1.1236000000e-03 -4.0858000000e-03  6.4260000000e-04 -2.9083000000e-03  2.5348000000e-03 -3.0914000000e-03  1.7947000000e-03  1.5835000000e-03 -2.4442000000e-03  3.2457000000e-03 -2.6532000000e-03 -8.5830000000e-04 -1.3545000000e-03  3.5802000000e-03  3.2943000000e-03 -1.9012000000e-03 -9.5960000000e-04
-
-JOB 78
-COORDS -2.2568000000e-02  1.5301080000e+00  3.9609430000e+00  9.0957000000e-01  1.6186580000e+00  4.1597160000e+00 -4.9347000000e-02  1.3058140000e+00  3.0307780000e+00 -5.3385000000e-02 -1.5373160000e+00 -3.8672290000e+00 -2.6427000000e-01 -1.7472570000e+00 -4.7770000000e+00  7.7314100000e-01 -1.0571120000e+00 -3.9171320000e+00
-ENERGY -1.526541401820e+02
-FORCES  3.6062000000e-03 -6.6470000000e-04 -3.0593000000e-03 -3.7667000000e-03 -3.2310000000e-04 -7.9150000000e-04  1.8660000000e-04  1.0085000000e-03  3.8583000000e-03  2.4374000000e-03  1.0182000000e-03 -4.0538000000e-03  8.9430000000e-04  8.7640000000e-04  3.7278000000e-03 -3.3579000000e-03 -1.9153000000e-03  3.1850000000e-04
-
-JOB 79
-COORDS  1.3783290000e+00 -3.1113030000e+00  2.6451380000e+00  1.1792440000e+00 -3.6757860000e+00  3.3921020000e+00  6.1692100000e-01 -3.1953220000e+00  2.0711770000e+00 -1.3625090000e+00  3.0984140000e+00 -2.6653490000e+00 -1.5824980000e+00  4.0064950000e+00 -2.4574420000e+00 -4.1071300000e-01  3.0992800000e+00 -2.7669210000e+00
-ENERGY -1.526541994276e+02
-FORCES -3.9952000000e-03 -2.6081000000e-03  6.5380000000e-04  8.3560000000e-04  2.2911000000e-03 -3.0215000000e-03  3.1554000000e-03  2.9200000000e-04  2.3808000000e-03  3.0576000000e-03  3.7139000000e-03  4.7710000000e-04  8.6590000000e-04 -3.6958000000e-03 -8.6240000000e-04 -3.9192000000e-03  7.0000000000e-06  3.7230000000e-04
-
-JOB 80
-COORDS -6.3537500000e-01  4.4929260000e+00  1.2005040000e+00 -9.9849000000e-01  5.2843020000e+00  1.5981280000e+00 -9.3935400000e-01  3.7805650000e+00  1.7629720000e+00  6.8281700000e-01 -4.5492430000e+00 -1.2256160000e+00  1.3139080000e+00 -3.8381790000e+00 -1.3367190000e+00 -9.2963000000e-02 -4.2587040000e+00 -1.7051830000e+00
-ENERGY -1.526541848354e+02
-FORCES -2.7203000000e-03  3.9090000000e-04  3.9792000000e-03  1.4758000000e-03 -3.2402000000e-03 -1.6327000000e-03  1.2456000000e-03  2.8705000000e-03 -2.3482000000e-03 -5.5160000000e-04  4.1195000000e-03 -2.4628000000e-03 -2.5839000000e-03 -2.9317000000e-03  4.8120000000e-04  3.1344000000e-03 -1.2090000000e-03  1.9833000000e-03
-
-JOB 81
-COORDS -9.5797500000e-01  1.4334360000e+00 -4.4410660000e+00 -1.4187860000e+00  7.3568300000e-01 -3.9752050000e+00 -1.5176650000e+00  2.2027490000e+00 -4.3355330000e+00  9.6046400000e-01 -1.4014980000e+00  4.4227240000e+00  1.0300940000e+00 -2.3209290000e+00  4.1657600000e+00  1.8644770000e+00 -1.0871920000e+00  4.4370460000e+00
-ENERGY -1.526541627935e+02
-FORCES -4.1813000000e-03  3.1530000000e-04  2.4065000000e-03  1.8901000000e-03  2.8170000000e-03 -1.9491000000e-03  2.2836000000e-03 -3.1313000000e-03 -4.7050000000e-04  4.0339000000e-03 -2.4564000000e-03 -9.8030000000e-04 -3.2120000000e-04  3.7458000000e-03  1.0378000000e-03 -3.7050000000e-03 -1.2903000000e-03 -4.4400000000e-05
-
-JOB 82
-COORDS -2.9448440000e+00  4.4894830000e+00 -2.1079000000e-01 -2.5644960000e+00  3.6178800000e+00 -1.0181600000e-01 -2.2526430000e+00  5.0897440000e+00  6.6297000000e-02  2.8859150000e+00 -4.4383680000e+00  1.3929200000e-01  3.6235660000e+00 -4.6538320000e+00  7.0997400000e-01  2.1470080000e+00 -4.9212320000e+00  5.0955000000e-01
-ENERGY -1.526541448662e+02
-FORCES  4.4216000000e-03 -1.1425000000e-03  1.5244000000e-03 -1.5890000000e-03  3.5735000000e-03 -4.0920000000e-04 -2.8402000000e-03 -2.4218000000e-03 -1.1076000000e-03  2.3400000000e-05 -2.9352000000e-03  3.8071000000e-03 -3.0206000000e-03  9.1110000000e-04 -2.3171000000e-03  3.0048000000e-03  2.0148000000e-03 -1.4975000000e-03
-
-JOB 83
-COORDS -1.0189490000e+00 -5.0809350000e+00 -2.1213580000e+00 -1.1742690000e+00 -4.1365630000e+00 -2.1049950000e+00 -1.9056100000e-01 -5.1798080000e+00 -2.5906430000e+00  1.0303570000e+00  5.0879390000e+00  2.1590460000e+00  9.6884100000e-01  4.6016320000e+00  1.3368820000e+00  3.4709800000e-01  4.7103200000e+00  2.7129340000e+00
-ENERGY -1.526540119453e+02
-FORCES  2.7569000000e-03  3.3854000000e-03 -1.8884000000e-03  6.3210000000e-04 -3.8127000000e-03 -3.4200000000e-05 -3.3912000000e-03  4.3500000000e-04  1.9308000000e-03 -3.0498000000e-03 -3.4886000000e-03 -1.0469000000e-03  2.5610000000e-04  1.9549000000e-03  3.3307000000e-03  2.7959000000e-03  1.5261000000e-03 -2.2920000000e-03
-
-JOB 84
-COORDS  1.2036800000e-01  5.6699870000e+00 -9.1191900000e-01 -8.3450100000e-01  5.6064720000e+00 -9.3249300000e-01  3.7161500000e-01  5.2440330000e+00 -9.2364000000e-02 -3.5424000000e-02 -5.6926450000e+00  8.7494300000e-01 -4.4991100000e-01 -5.3712470000e+00  7.4233000000e-02 -4.6997700000e-01 -5.2122050000e+00  1.5796230000e+00
-ENERGY -1.526540209742e+02
-FORCES -2.8418000000e-03 -1.9428000000e-03  3.2656000000e-03  3.8924000000e-03  2.2510000000e-04  8.4500000000e-05 -1.0508000000e-03  1.7108000000e-03 -3.3516000000e-03 -3.4527000000e-03  3.2331000000e-03 -4.1730000000e-04  1.6814000000e-03 -1.2925000000e-03  3.2899000000e-03  1.7714000000e-03 -1.9336000000e-03 -2.8710000000e-03
-
-JOB 85
-COORDS -3.9079400000e-01  6.3441880000e+00 -3.5567840000e+00 -6.6745000000e-01  5.4675700000e+00 -3.8236830000e+00 -6.0747500000e-01  6.3911100000e+00 -2.6256130000e+00  4.6276000000e-01 -6.2940870000e+00  3.4769750000e+00 -4.8389200000e-01 -6.2306640000e+00  3.3502490000e+00  5.7103300000e-01 -6.4150860000e+00  4.4203030000e+00
-ENERGY -1.526540790735e+02
-FORCES -1.9877000000e-03 -3.4036000000e-03  2.7098000000e-03  1.1133000000e-03  3.5858000000e-03  1.0876000000e-03  8.7140000000e-04 -1.8140000000e-04 -3.7967000000e-03 -3.4068000000e-03 -2.7160000000e-04  3.3448000000e-03  3.8588000000e-03 -2.3630000000e-04  5.0750000000e-04 -4.4890000000e-04  5.0710000000e-04 -3.8531000000e-03
-
-JOB 86
-COORDS  1.6390360000e+00  6.2554950000e+00  3.5735400000e+00  9.4095800000e-01  6.3847910000e+00  2.9315100000e+00  2.3097880000e+00  6.8936800000e+00  3.3305500000e+00 -1.6845780000e+00 -6.2766020000e+00 -3.5589840000e+00 -1.0709030000e+00 -5.7725890000e+00 -3.0245630000e+00 -1.4453580000e+00 -7.1900450000e+00 -3.4020500000e+00
-ENERGY -1.526540985287e+02
-FORCES -1.2400000000e-04  3.1466000000e-03 -3.6082000000e-03  2.8545000000e-03 -5.3470000000e-04  2.6190000000e-03 -2.7302000000e-03 -2.6098000000e-03  9.9100000000e-04  3.4791000000e-03 -1.6714000000e-03  2.8387000000e-03 -2.5033000000e-03 -2.0542000000e-03 -2.1923000000e-03 -9.7610000000e-04  3.7234000000e-03 -6.4810000000e-04
-
-JOB 87
-COORDS -5.5178600000e+00 -5.9999670000e+00 -6.2222400000e-01 -4.5608010000e+00 -6.0015830000e+00 -6.3855500000e-01 -5.7733320000e+00 -6.2855760000e+00 -1.4993750000e+00  5.4622770000e+00  6.0698180000e+00  6.4798700000e-01  6.2976800000e+00  5.6094770000e+00  5.6787100000e-01  4.9262480000e+00  5.5000700000e+00  1.1996140000e+00
-ENERGY -1.526540688482e+02
-FORCES  2.8473000000e-03 -1.1737000000e-03 -3.6549000000e-03 -3.8961000000e-03  1.0000000000e-05  7.3900000000e-05  1.0488000000e-03  1.1643000000e-03  3.5818000000e-03  1.2176000000e-03 -4.1910000000e-03  1.9366000000e-03 -3.4085000000e-03  1.8726000000e-03  3.2070000000e-04  2.1909000000e-03  2.3177000000e-03 -2.2581000000e-03
-
-JOB 88
-COORDS -6.3364230000e+00 -3.0437580000e+00 -5.4584080000e+00 -6.3857680000e+00 -2.4561590000e+00 -4.7044030000e+00 -7.1844360000e+00 -3.4874910000e+00 -5.4727640000e+00  6.3767540000e+00  3.0986100000e+00  5.4264130000e+00  6.5156730000e+00  2.3978340000e+00  6.0634730000e+00  6.3009680000e+00  2.6471710000e+00  4.5857630000e+00
-ENERGY -1.526540832604e+02
-FORCES -3.6709000000e-03  5.9430000000e-04  3.0093000000e-03  2.0810000000e-04 -2.4017000000e-03 -3.0718000000e-03  3.4626000000e-03  1.8069000000e-03  6.1600000000e-05  2.6650000000e-04 -4.7012000000e-03 -8.3840000000e-04 -5.7090000000e-04  2.8594000000e-03 -2.5947000000e-03  3.0460000000e-04  1.8423000000e-03  3.4339000000e-03
-
-JOB 89
-COORDS  3.1151680000e+00 -7.7082260000e+00  3.2316800000e+00  2.2427620000e+00 -8.1020810000e+00  3.2358990000e+00  3.7129720000e+00 -8.4501240000e+00  3.1397550000e+00 -3.0680300000e+00  7.7876850000e+00 -3.2834810000e+00 -2.8842690000e+00  8.1837150000e+00 -2.4316460000e+00 -3.7608670000e+00  7.1510430000e+00 -3.1077070000e+00
-ENERGY -1.526540781023e+02
-FORCES -1.1111000000e-03 -4.6371000000e-03 -3.6490000000e-04  3.5540000000e-03  1.6106000000e-03 -1.3900000000e-05 -2.4420000000e-03  3.0263000000e-03  3.7820000000e-04 -2.0614000000e-03 -9.9450000000e-04  4.1998000000e-03 -7.5690000000e-04 -1.6078000000e-03 -3.4776000000e-03  2.8174000000e-03  2.6024000000e-03 -7.2160000000e-04
-
-JOB 0
-COORDS  6.3544600000e-01 -2.8424600000e-01 -1.0975430000e+00  1.1119040000e+00  5.4245800000e-01 -1.1735700000e+00  1.2702970000e+00 -8.9332000000e-01 -7.2041700000e-01 -6.7616100000e-01  2.7028100000e-01  1.1466280000e+00 -1.5183640000e+00  6.0978100000e-01  8.4386400000e-01 -2.3759800000e-01 -2.8749000000e-02  3.5008800000e-01
-ENERGY -1.526588710800e+02
-FORCES  7.3500000000e-04  3.4639000000e-03  5.8346000000e-03 -3.1836000000e-03 -4.9672000000e-03  1.5495000000e-03 -5.4135000000e-03  4.9373000000e-03  3.5140000000e-04  5.8928000000e-03 -4.2029000000e-03 -1.8027800000e-02  2.7925000000e-03 -4.7500000000e-04 -2.5600000000e-05 -8.2320000000e-04  1.2439000000e-03  1.0318000000e-02
-
-JOB 1
-COORDS -2.7064300000e-01  9.0850900000e-01 -9.6728100000e-01 -1.0599500000e-01  4.2098700000e-01 -1.6016000000e-01 -1.0039170000e+00  1.4855310000e+00 -7.5377300000e-01  2.9855300000e-01 -8.5163900000e-01  8.8166700000e-01  1.1264070000e+00 -1.3260720000e+00  9.5784800000e-01 -3.5984000000e-01 -1.4634160000e+00  1.2110300000e+00
-ENERGY -1.526585358956e+02
-FORCES  3.6234000000e-03 -1.0524400000e-02  1.2225900000e-02 -2.9657000000e-03  6.6598000000e-03 -4.4767000000e-03  1.7563000000e-03 -3.4246000000e-03  1.2545000000e-03 -1.4320000000e-03  4.2691000000e-03 -8.8287000000e-03 -5.0479000000e-03  5.7050000000e-04  7.6690000000e-04  4.0660000000e-03  2.4497000000e-03 -9.4180000000e-04
-
-JOB 2
-COORDS  9.9268500000e-01 -8.4087300000e-01  1.3888300000e-01  4.2915100000e-01 -1.3410460000e+00  7.2921300000e-01  1.6905500000e+00 -5.0440200000e-01  7.0102400000e-01 -1.0468070000e+00  8.8607000000e-01 -2.4769500000e-01 -8.4434200000e-01  9.3324800000e-01  6.8665700000e-01 -4.0745200000e-01  2.6741400000e-01 -6.0085500000e-01
-ENERGY -1.526560014920e+02
-FORCES -3.8085000000e-03  4.4658000000e-03  3.1214000000e-03  2.0870000000e-03  4.6128000000e-03 -2.7695000000e-03 -4.5632000000e-03 -1.6875000000e-03 -1.4448000000e-03  1.4594600000e-02 -8.8125000000e-03  3.6854000000e-03 -1.8337000000e-03  2.8700000000e-05 -3.3610000000e-04 -6.4762000000e-03  1.3927000000e-03 -2.2564000000e-03
-
-JOB 3
-COORDS  1.1661190000e+00 -3.3035300000e-01 -6.2570800000e-01  1.4149900000e+00 -1.2524560000e+00 -6.8911500000e-01  5.2051300000e-01 -3.0403800000e-01  8.0501000000e-02 -1.0737220000e+00  3.6915600000e-01  5.8300200000e-01 -1.5885190000e+00  3.0382900000e-01  1.3873330000e+00 -1.7162030000e+00  5.7013000000e-01 -9.7482000000e-02
-ENERGY -1.526591499882e+02
-FORCES -1.1041500000e-02  1.9744000000e-03  7.2579000000e-03 -2.4209000000e-03  2.7484000000e-03  1.3195000000e-03  7.6242000000e-03 -3.2824000000e-03 -3.0591000000e-03  2.6777000000e-03 -5.5400000000e-04 -6.2565000000e-03  2.1325000000e-03 -1.1130000000e-04 -4.5548000000e-03  1.0279000000e-03 -7.7520000000e-04  5.2929000000e-03
-
-JOB 4
-COORDS -4.8512700000e-01  9.9572000000e-02 -1.1969050000e+00 -1.3535420000e+00 -2.2119900000e-01 -9.5360700000e-01 -6.4446300000e-01  6.8633900000e-01 -1.9361940000e+00  4.9659700000e-01 -9.5186000000e-02  1.2741980000e+00  1.2666200000e+00 -6.6111900000e-01  1.3291150000e+00  4.6413300000e-01  1.7757200000e-01  3.5725700000e-01
-ENERGY -1.526604051494e+02
-FORCES -2.3865000000e-03 -9.2570000000e-04  5.7331000000e-03  3.8238000000e-03  2.5287000000e-03 -3.4286000000e-03 -1.3900000000e-04 -3.0921000000e-03  3.8710000000e-03 -1.9064000000e-03  8.2450000000e-04 -1.3108100000e-02 -2.4285000000e-03  1.7582000000e-03 -1.4501000000e-03  3.0367000000e-03 -1.0936000000e-03  8.3827000000e-03
-
-JOB 5
-COORDS -2.7778900000e-01  9.3285000000e-01  1.0321960000e+00 -4.8071500000e-01  2.3464000000e-01  4.0965600000e-01  5.9856700000e-01  7.2069400000e-01  1.3534760000e+00  2.0563500000e-01 -8.2059500000e-01 -9.9276900000e-01  3.2330800000e-01 -1.6576050000e+00 -5.4354900000e-01  6.5215500000e-01 -9.3370400000e-01 -1.8318510000e+00
-ENERGY -1.526564635719e+02
-FORCES  5.8894000000e-03 -7.8022000000e-03 -1.1223200000e-02 -2.8497000000e-03 -5.5700000000e-04  6.5447000000e-03 -2.3244000000e-03  5.5460000000e-04  6.3990000000e-04  1.2917000000e-03  3.0578000000e-03  2.7900000000e-04 -8.0770000000e-04  5.9134000000e-03 -7.8000000000e-04 -1.1992000000e-03 -1.1665000000e-03  4.5397000000e-03
-
-JOB 6
-COORDS  1.0693580000e+00 -7.2734700000e-01  2.5134900000e-01  1.3538390000e+00 -1.5143380000e+00 -2.1335300000e-01  1.8577710000e+00 -4.1085700000e-01  6.9233800000e-01 -1.1875050000e+00  7.7794900000e-01 -2.3200400000e-01 -7.6055700000e-01  8.6055500000e-01 -1.0847200000e+00 -5.7380500000e-01  2.6632000000e-01  2.9510000000e-01
-ENERGY -1.526592192776e+02
-FORCES -1.0709000000e-03  5.3600000000e-05 -1.4811000000e-03  1.6520000000e-04  4.3958000000e-03  2.0892000000e-03 -3.8454000000e-03 -1.9099000000e-03 -2.6401000000e-03  1.2762300000e-02 -7.4919000000e-03 -4.4800000000e-04 -2.6222000000e-03  9.0610000000e-04  6.6050000000e-04 -5.3890000000e-03  4.0462000000e-03  1.8194000000e-03
-
-JOB 7
-COORDS -9.7819100000e-01  2.6653100000e-01  8.7512600000e-01 -1.0606800000e+00  9.9114500000e-01  1.4950960000e+00 -1.8686270000e+00  1.2204100000e-01  5.5500200000e-01  1.0939240000e+00 -3.2977500000e-01 -9.0288100000e-01  3.9054700000e-01 -2.3998400000e-01 -1.5458670000e+00  7.4603700000e-01  7.5359000000e-02 -1.0848000000e-01
-ENERGY -1.526579264504e+02
-FORCES -2.3957000000e-03 -7.7400000000e-04 -2.3351000000e-03  1.1312000000e-03 -3.5486000000e-03 -3.7710000000e-03  3.8807000000e-03  1.6306000000e-03  1.7775000000e-03 -1.2032500000e-02  3.1894000000e-03  6.5431000000e-03  2.1752000000e-03 -9.9800000000e-04  8.4000000000e-06  7.2411000000e-03  5.0060000000e-04 -2.2229000000e-03
-
-JOB 8
-COORDS  3.5014300000e-01  1.1498670000e+00 -5.9485700000e-01  1.1916940000e+00  1.2985970000e+00 -1.0260220000e+00  9.1651000000e-02  2.0120490000e+00 -2.6919600000e-01 -3.5823300000e-01 -1.2738470000e+00  5.9528800000e-01 -1.2853200000e-01 -4.8865200000e-01  9.8359000000e-02 -1.0463390000e+00 -9.8557200000e-01  1.1949870000e+00
-ENERGY -1.526605528008e+02
-FORCES  1.1597000000e-03 -2.9510000000e-04  2.3259000000e-03 -4.3358000000e-03  5.2160000000e-04  2.2755000000e-03  2.0108000000e-03 -3.5542000000e-03 -2.0460000000e-03  1.2878000000e-03  1.2149300000e-02 -3.9435000000e-03 -1.9769000000e-03 -8.5233000000e-03  2.9484000000e-03  1.8544000000e-03 -2.9840000000e-04 -1.5603000000e-03
-
-JOB 9
-COORDS -2.8397400000e-01  1.3665250000e+00 -3.7821500000e-01 -3.5077400000e-01  4.1670200000e-01 -2.8021000000e-01 -1.1903270000e+00  1.6738790000e+00 -3.6116000000e-01  2.6359300000e-01 -1.3242210000e+00  3.6957600000e-01  7.1790200000e-01 -2.1318890000e+00  1.2976900000e-01  9.5963900000e-01 -7.3405000000e-01  6.5845200000e-01
-ENERGY -1.526606199124e+02
-FORCES -3.6508000000e-03 -7.4565000000e-03  3.6860000000e-04  3.0167000000e-03  8.9548000000e-03  1.8712000000e-03  2.7455000000e-03 -1.6853000000e-03 -2.4330000000e-04  4.6441000000e-03 -1.1041000000e-03 -3.7380000000e-04 -9.6660000000e-04  3.7487000000e-03  2.2776000000e-03 -5.7888000000e-03 -2.4575000000e-03 -3.9001000000e-03
-
-JOB 10
-COORDS -1.0754720000e+00  3.3390600000e-01  7.8939400000e-01 -5.4758400000e-01  8.6798700000e-01  1.3829620000e+00 -1.9273530000e+00  2.6649900000e-01  1.2206550000e+00  1.1103130000e+00 -4.2150000000e-01 -8.3826800000e-01  1.5103250000e+00  2.2676900000e-01 -1.4178970000e+00  3.7637300000e-01  3.9879000000e-02 -4.3244300000e-01
-ENERGY -1.526589312619e+02
-FORCES -1.8003000000e-03 -1.5337000000e-03  2.3163000000e-03 -1.9969000000e-03 -2.4600000000e-03 -5.0353000000e-03  4.2485000000e-03  1.3182000000e-03 -1.7660000000e-04 -7.4404000000e-03  2.6722000000e-03  1.8517000000e-03 -2.1184000000e-03 -1.4187000000e-03  2.8656000000e-03  9.1074000000e-03  1.4220000000e-03 -1.8216000000e-03
-
-JOB 11
-COORDS -1.2486700000e+00 -3.7107700000e-01 -4.2037900000e-01 -1.3550780000e+00 -1.3192880000e+00 -4.9656700000e-01 -1.9595810000e+00 -6.6690000000e-03 -9.4767800000e-01  1.3451480000e+00  3.6432200000e-01  4.7442500000e-01  1.3965710000e+00  1.3171180000e+00  3.9848700000e-01  4.4799600000e-01  1.5118200000e-01  2.1767300000e-01
-ENERGY -1.526611406064e+02
-FORCES -1.6720000000e-04 -6.4740000000e-04 -1.9076000000e-03 -1.9620000000e-04  5.0082000000e-03 -1.1120000000e-04  2.4713000000e-03 -2.9521000000e-03  2.2169000000e-03 -1.0394500000e-02  5.4710000000e-04 -3.8529000000e-03 -4.5850000000e-04 -2.5628000000e-03 -3.0400000000e-05  8.7451000000e-03  6.0700000000e-04  3.6851000000e-03
-
-JOB 12
-COORDS  4.2724200000e-01 -1.0919580000e+00 -7.3791600000e-01  7.1863800000e-01 -1.9666200000e+00 -4.8045500000e-01  1.1277340000e+00 -7.6151300000e-01 -1.3003640000e+00 -4.4984400000e-01  1.1708200000e+00  8.0145700000e-01 -1.2656810000e+00  1.3706650000e+00  3.4243300000e-01 -2.7559700000e-01  2.5306800000e-01  5.9264500000e-01
-ENERGY -1.526608639925e+02
-FORCES  4.4597000000e-03  8.9310000000e-04 -2.2210000000e-03 -1.0944000000e-03  4.6838000000e-03 -8.8920000000e-04 -3.0800000000e-03 -3.2733000000e-03  2.1892000000e-03  4.6000000000e-06 -8.5550000000e-03 -6.5285000000e-03  2.5190000000e-03 -1.9410000000e-04  1.3372000000e-03 -2.8089000000e-03  6.4455000000e-03  6.1123000000e-03
-
-JOB 13
-COORDS  1.1127440000e+00  7.4354800000e-01  5.8867300000e-01  1.0494250000e+00  1.1400600000e-01  1.3069340000e+00  3.3263400000e-01  1.2907070000e+00  6.7965300000e-01 -1.0896420000e+00 -6.8373100000e-01 -6.5059500000e-01 -1.4856820000e+00 -1.5498560000e+00 -7.4657400000e-01 -2.4064900000e-01 -8.5201600000e-01 -2.4178900000e-01
-ENERGY -1.526568242209e+02
-FORCES -5.5484000000e-03  3.2967000000e-03  2.9134000000e-03 -1.0535000000e-03 -2.3700000000e-05 -6.1303000000e-03  4.9677000000e-03 -2.5119000000e-03  5.6640000000e-04  5.4166000000e-03 -9.2200000000e-04  1.6840000000e-04  3.0073000000e-03  3.3644000000e-03  1.2931000000e-03 -6.7897000000e-03 -3.2035000000e-03  1.1890000000e-03
-
-JOB 14
-COORDS -3.7716200000e-01 -1.1971600000e+00 -6.8783800000e-01 -6.1321900000e-01 -1.1338110000e+00  2.3763200000e-01 -1.1615830000e+00 -1.5445860000e+00 -1.1123520000e+00  4.9080900000e-01  1.2269250000e+00  6.3082100000e-01 -9.3409000000e-02  4.8217300000e-01  4.8846900000e-01  6.8120000000e-02  1.7345370000e+00  1.3235670000e+00
-ENERGY -1.526498664289e+02
-FORCES -3.8542000000e-03 -2.2754000000e-03  6.9540000000e-04  2.8347000000e-03  9.9206000000e-03 -4.0390000000e-03  4.2425000000e-03  1.5181000000e-03  2.2170000000e-03 -3.3805000000e-03 -2.3498000000e-03 -2.8577000000e-03 -7.8190000000e-04 -3.4663000000e-03  7.2688000000e-03  9.3930000000e-04 -3.3471000000e-03 -3.2846000000e-03
-
-JOB 15
-COORDS -3.0064100000e-01  1.3453170000e+00  5.7801800000e-01  5.5815600000e-01  1.5787990000e+00  9.3042000000e-01 -1.6423300000e-01  4.9726100000e-01  1.5561400000e-01  2.5484100000e-01 -1.2591990000e+00 -5.2883000000e-01 -1.4214000000e-02 -2.1559640000e+00 -3.2969400000e-01  3.4314800000e-01 -1.2411440000e+00 -1.4817760000e+00
-ENERGY -1.526616204740e+02
-FORCES  4.3441000000e-03 -9.3833000000e-03 -2.0509000000e-03 -2.4439000000e-03 -5.1930000000e-04 -1.1295000000e-03 -1.4345000000e-03  9.6218000000e-03  1.4247000000e-03 -1.7523000000e-03 -3.0425000000e-03 -7.7930000000e-04  1.9884000000e-03  3.5013000000e-03 -2.5233000000e-03 -7.0190000000e-04 -1.7800000000e-04  5.0583000000e-03
-
-JOB 16
-COORDS -4.5809900000e-01  1.7839300000e-01  1.4239340000e+00 -6.3163000000e-02  1.2575900000e-01  5.5359700000e-01 -1.3184730000e+00 -2.2856300000e-01  1.3220680000e+00  4.8365400000e-01 -1.1814200000e-01 -1.3077420000e+00  7.8102000000e-01  1.6499100000e-01 -2.1724040000e+00  1.8692700000e-01 -1.0186740000e+00 -1.4389960000e+00
-ENERGY -1.526597907205e+02
-FORCES  7.9370000000e-04  2.6130000000e-04 -9.1089000000e-03 -3.5276000000e-03 -2.7909000000e-03  8.0355000000e-03  2.9525000000e-03  4.4330000000e-04 -8.3200000000e-05  8.8880000000e-04  7.1900000000e-05 -3.4036000000e-03 -1.6892000000e-03 -3.0910000000e-03  2.9774000000e-03  5.8180000000e-04  5.1054000000e-03  1.5827000000e-03
-
-JOB 17
-COORDS -9.5750300000e-01 -5.0411500000e-01 -9.1258700000e-01 -1.2147060000e+00 -7.3333300000e-01 -1.8056360000e+00 -1.0227250000e+00 -1.3256570000e+00 -4.2571200000e-01  9.8962400000e-01  5.8974200000e-01  9.9230700000e-01  2.3237300000e-01  7.5598300000e-01  4.3091000000e-01  1.4729440000e+00 -1.0429700000e-01  5.4403900000e-01
-ENERGY -1.526595312095e+02
-FORCES -1.5220000000e-03 -3.7619000000e-03 -8.5340000000e-04  1.4246000000e-03  6.6000000000e-06  4.3293000000e-03  8.7910000000e-04  3.6950000000e-03 -3.2066000000e-03 -4.2726000000e-03 -3.1590000000e-03 -8.9613000000e-03  3.7103000000e-03  2.0676000000e-03  5.7145000000e-03 -2.1930000000e-04  1.1517000000e-03  2.9775000000e-03
-
-JOB 18
-COORDS -6.9526800000e-01 -4.5976200000e-01  1.1326380000e+00 -9.0464700000e-01 -1.3982100000e-01  2.0101520000e+00 -1.1473040000e+00 -1.3011550000e+00  1.0697710000e+00  7.7100500000e-01  5.4680000000e-01 -1.1901430000e+00  3.2565200000e-01  2.0853500000e-01 -4.1331000000e-01  5.9222700000e-01 -1.0197600000e-01 -1.8708480000e+00
-ENERGY -1.526609233614e+02
-FORCES -1.6653000000e-03 -3.1020000000e-04  2.8001000000e-03 -3.7300000000e-05 -2.9195000000e-03 -3.5633000000e-03  1.9685000000e-03  4.0186000000e-03  5.6250000000e-04 -5.2733000000e-03 -4.6892000000e-03  6.0852000000e-03  4.7916000000e-03  2.3891000000e-03 -8.2474000000e-03  2.1570000000e-04  1.5112000000e-03  2.3629000000e-03
-
-JOB 19
-COORDS -8.1660200000e-01 -8.2316300000e-01  9.1385200000e-01 -1.1985140000e+00 -1.6096400000e-01  1.4899320000e+00 -1.4557620000e+00 -9.2520600000e-01  2.0866200000e-01  8.6330800000e-01  8.3799700000e-01 -9.6896600000e-01  4.3210600000e-01  9.1166600000e-01 -1.1757300000e-01  1.4312910000e+00  7.2131000000e-02 -8.8484500000e-01
-ENERGY -1.526571987886e+02
-FORCES -5.2306000000e-03  2.4370000000e-04 -2.4636000000e-03  3.5796000000e-03 -1.3140000000e-03 -4.0873000000e-03  2.6490000000e-03  4.6500000000e-04  4.1773000000e-03 -1.5617000000e-03 -7.5859000000e-03  7.6253000000e-03  1.1118000000e-03  4.9339000000e-03 -3.0783000000e-03 -5.4810000000e-04  3.2573000000e-03 -2.1735000000e-03
-
-JOB 20
-COORDS -7.4800100000e-01  1.3214940000e+00  1.8278300000e-01 -6.3013800000e-01  3.7958600000e-01  5.9696000000e-02 -9.0611400000e-01  1.6607190000e+00 -6.9821600000e-01  6.8744300000e-01 -1.2763860000e+00 -1.3871000000e-01  1.3563230000e+00 -1.4482340000e+00 -8.0150800000e-01  1.1606140000e+00 -1.3052080000e+00  6.9286100000e-01
-ENERGY -1.526601838166e+02
-FORCES  2.9496000000e-03 -7.2262000000e-03 -4.7784000000e-03 -4.7736000000e-03  7.3776000000e-03  2.6743000000e-03  6.6470000000e-04 -9.4030000000e-04  2.6293000000e-03  5.8708000000e-03  8.0060000000e-04  3.8980000000e-04 -2.4401000000e-03  2.4350000000e-04  3.2941000000e-03 -2.2714000000e-03 -2.5510000000e-04 -4.2091000000e-03
-
-JOB 21
-COORDS -3.2536000000e-01 -8.3812200000e-01 -1.2654690000e+00 -5.1449100000e-01 -1.5755000000e+00 -6.8518000000e-01 -3.7385400000e-01 -6.8207000000e-02 -6.9880200000e-01  3.2908100000e-01  7.7955500000e-01  1.2348450000e+00  1.1325580000e+00  9.7892200000e-01  7.5431500000e-01 -2.6430000000e-01  1.4990250000e+00  1.0192200000e+00
-ENERGY -1.526574732293e+02
-FORCES -1.2400000000e-05  8.9590000000e-04  1.0530200000e-02  2.9320000000e-04  1.3197000000e-03 -3.4727000000e-03 -7.3310000000e-04  5.2900000000e-04 -6.8908000000e-03  3.7222000000e-03  4.2215000000e-03  1.7610000000e-04 -5.6199000000e-03 -1.1023000000e-03  1.4283000000e-03  2.3499000000e-03 -5.8637000000e-03 -1.7712000000e-03
-
-JOB 22
-COORDS -1.9857600000e-01 -1.5147050000e+00  3.6305000000e-02  3.8138600000e-01 -2.1493240000e+00 -3.8456800000e-01  2.5292000000e-01 -6.7619900000e-01 -6.0080000000e-02  1.4089600000e-01  1.4486910000e+00 -4.7236000000e-02 -5.1956700000e-01  2.1413190000e+00 -6.4173000000e-02  6.8755400000e-01  1.6568330000e+00  7.1044100000e-01
-ENERGY -1.526594632080e+02
-FORCES  2.3030000000e-03  5.8075000000e-03 -2.5739000000e-03 -1.5912000000e-03  3.0970000000e-03  1.4252000000e-03  1.7117000000e-03 -9.2584000000e-03  2.0510000000e-03 -4.0459000000e-03  4.2574000000e-03  2.2419000000e-03  3.9629000000e-03 -1.5883000000e-03  7.1250000000e-04 -2.3406000000e-03 -2.3151000000e-03 -3.8566000000e-03
-
-JOB 23
-COORDS  1.1876220000e+00 -6.2826500000e-01  6.5096300000e-01  1.3016550000e+00 -1.4457300000e-01  1.4690520000e+00  6.8916900000e-01 -1.4066190000e+00  8.9984500000e-01 -1.1788800000e+00  7.1730100000e-01 -7.2912300000e-01 -3.3535500000e-01  2.8479200000e-01 -5.9633300000e-01 -1.8239480000e+00  1.4500000000e-02 -6.5044200000e-01
-ENERGY -1.526595748583e+02
-FORCES -4.1480000000e-04 -4.7420000000e-04  6.9327000000e-03 -3.0370000000e-04 -3.1680000000e-03 -3.6532000000e-03  1.0558000000e-03  4.4019000000e-03 -2.2601000000e-03  5.5807000000e-03 -5.6347000000e-03  2.6045000000e-03 -8.3132000000e-03  2.9504000000e-03 -3.9614000000e-03  2.3953000000e-03  1.9247000000e-03  3.3760000000e-04
-
-JOB 24
-COORDS -3.0452800000e-01  1.3955250000e+00 -5.3484600000e-01 -1.0998630000e+00  1.9217940000e+00 -4.5289300000e-01 -3.8555000000e-01  7.3016700000e-01  1.4850300000e-01  3.6169900000e-01 -1.3167880000e+00  4.8503700000e-01 -4.1469900000e-01 -1.8762420000e+00  5.0621600000e-01  1.0982640000e+00 -1.9280410000e+00  4.9375500000e-01
-ENERGY -1.526578841606e+02
-FORCES -1.4750000000e-04 -4.3162000000e-03  3.8487000000e-03  2.6093000000e-03 -3.0791000000e-03  2.5400000000e-05 -4.1112000000e-03  7.1291000000e-03 -2.5783000000e-03  2.4806000000e-03 -4.5878000000e-03 -1.7648000000e-03  3.0618000000e-03  3.5180000000e-03  3.6590000000e-04 -3.8930000000e-03  1.3359000000e-03  1.0310000000e-04
-
-JOB 25
-COORDS -1.1198530000e+00  7.6269000000e-01  8.1051300000e-01 -1.5667650000e+00  4.2400800000e-01  3.4758000000e-02 -2.4182600000e-01  3.8410500000e-01  7.6608500000e-01  1.0372400000e+00 -7.3819400000e-01 -7.8312900000e-01  1.4968120000e+00 -9.9921500000e-01  1.4927000000e-02  1.6415040000e+00 -1.4053400000e-01 -1.2234700000e+00
-ENERGY -1.526576127030e+02
-FORCES  4.4336000000e-03 -5.7164000000e-03 -7.9959000000e-03 -1.0174000000e-03  2.3853000000e-03  3.2727000000e-03 -1.5206000000e-03  2.2659000000e-03  5.8185000000e-03  5.4776000000e-03  3.4770000000e-04 -1.1567000000e-03 -4.3887000000e-03  3.6547000000e-03 -2.5502000000e-03 -2.9844000000e-03 -2.9371000000e-03  2.6116000000e-03
-
-JOB 26
-COORDS  7.6502500000e-01 -8.5919300000e-01  1.0374200000e+00  6.6257100000e-01 -4.9861500000e-01  1.9181690000e+00  4.3896700000e-01 -1.7135900000e-01  4.5707400000e-01 -7.6002800000e-01  7.4336500000e-01 -1.0201500000e+00 -6.5025100000e-01  1.6413670000e+00 -7.0746200000e-01 -5.3526300000e-01  7.8375700000e-01 -1.9497100000e+00
-ENERGY -1.526591952929e+02
-FORCES -5.0053000000e-03  4.6940000000e-03 -3.5063000000e-03  7.7300000000e-05 -3.1920000000e-04 -3.4625000000e-03  5.9459000000e-03 -2.3235000000e-03  8.0432000000e-03 -7.0280000000e-04  3.0409000000e-03 -5.7242000000e-03  1.1295000000e-03 -5.8021000000e-03  7.4400000000e-05 -1.4446000000e-03  7.0990000000e-04  4.5754000000e-03
-
-JOB 27
-COORDS -1.0303700000e-01 -7.4235100000e-01  1.2632210000e+00  2.6519500000e-01 -1.5088120000e+00  1.7027370000e+00 -8.5654600000e-01 -4.9682200000e-01  1.8000360000e+00  1.8151300000e-01  7.7381600000e-01 -1.3519920000e+00 -1.5525000000e-02  9.5610200000e-01 -4.3320000000e-01 -6.7344200000e-01  6.2464700000e-01 -1.7557650000e+00
-ENERGY -1.526554436995e+02
-FORCES  6.0470000000e-04 -4.4523000000e-03  3.1081000000e-03 -2.4042000000e-03  3.2252000000e-03 -1.3665000000e-03  3.3769000000e-03  2.2990000000e-04 -3.8411000000e-03 -3.6349000000e-03 -3.8847000000e-03  6.1472000000e-03 -7.5900000000e-04  3.9449000000e-03 -5.1708000000e-03  2.8165000000e-03  9.3700000000e-04  1.1230000000e-03
-
-JOB 28
-COORDS  4.3670000000e-01  8.4554300000e-01  1.2282120000e+00 -6.9535000000e-02  1.3596380000e+00  1.8572300000e+00  1.7289400000e-01 -6.0094000000e-02  1.3908790000e+00 -3.2824400000e-01 -8.5127100000e-01 -1.2796190000e+00 -6.2473000000e-01 -1.7975600000e-01 -6.6529400000e-01 -1.1000440000e+00 -1.0486590000e+00 -1.8102740000e+00
-ENERGY -1.526570470993e+02
-FORCES  3.5500000000e-04 -1.6071000000e-03  5.9332000000e-03  1.8286000000e-03 -2.6456000000e-03 -3.4529000000e-03 -1.2534000000e-03  5.9134000000e-03 -2.7348000000e-03 -2.6170000000e-03  4.4590000000e-03 -2.0700000000e-05 -1.2292000000e-03 -7.4064000000e-03 -2.2835000000e-03  2.9159000000e-03  1.2867000000e-03  2.5588000000e-03
-
-JOB 29
-COORDS -7.3685500000e-01 -8.9812100000e-01 -9.7690300000e-01 -1.4741810000e+00 -1.5039660000e+00 -1.0512930000e+00 -8.0093000000e-01 -3.4534500000e-01 -1.7557250000e+00  8.2456500000e-01  8.9498200000e-01  1.0595400000e+00  4.1803400000e-01  1.6983000000e+00  7.3451200000e-01  3.4886200000e-01  1.9034200000e-01  6.1974400000e-01
-ENERGY -1.526602111315e+02
-FORCES -3.7199000000e-03 -1.6311000000e-03 -4.4284000000e-03  3.1780000000e-03  3.0273000000e-03 -6.5440000000e-04 -2.9660000000e-04 -2.2525000000e-03  4.0075000000e-03 -5.5216000000e-03 -2.7091000000e-03 -4.9467000000e-03  1.6400000000e-03 -2.1449000000e-03  7.7110000000e-04  4.7202000000e-03  5.7103000000e-03  5.2508000000e-03
-
-JOB 30
-COORDS  1.0464320000e+00 -8.4659000000e-01 -9.3434100000e-01  3.6560600000e-01 -1.9259900000e-01 -7.7621500000e-01  1.8506480000e+00 -4.3806500000e-01 -6.1406700000e-01 -1.0629550000e+00  7.5022400000e-01  8.6053000000e-01 -1.0423980000e+00  5.3523600000e-01  1.7930480000e+00 -8.8441200000e-01  1.6900240000e+00  8.2692100000e-01
-ENERGY -1.526583099816e+02
-FORCES -2.8021000000e-03  5.2355000000e-03  4.5967000000e-03  5.8779000000e-03 -2.6470000000e-03 -5.2803000000e-03 -2.4400000000e-03 -1.3893000000e-03 -1.1533000000e-03 -6.9150000000e-04  1.5282000000e-03  6.4164000000e-03 -4.3190000000e-04  2.1824000000e-03 -3.8775000000e-03  4.8760000000e-04 -4.9097000000e-03 -7.0210000000e-04
-
-JOB 31
-COORDS  1.3771980000e+00  5.0632000000e-01 -5.9359500000e-01  2.3171660000e+00  6.7830500000e-01 -6.4940100000e-01  1.2494230000e+00  1.5490000000e-01  2.8754600000e-01 -1.3814690000e+00 -5.3217600000e-01  5.9327700000e-01 -1.3364820000e+00 -6.5120700000e-01 -3.5542700000e-01 -2.0395960000e+00  1.5151900000e-01  7.1842400000e-01
-ENERGY -1.526586065116e+02
-FORCES  1.9831000000e-03 -1.0087000000e-03  4.5707000000e-03 -3.8844000000e-03 -7.1440000000e-04  7.7690000000e-04  3.9322000000e-03  2.0292000000e-03 -4.9265000000e-03 -2.8746000000e-03  3.0334000000e-03 -5.0043000000e-03 -1.4867000000e-03 -4.0070000000e-04  4.9318000000e-03  2.3304000000e-03 -2.9388000000e-03 -3.4850000000e-04
-
-JOB 32
-COORDS -3.1961900000e-01 -1.0158260000e+00 -1.1219700000e+00  2.7593200000e-01 -1.1388650000e+00 -1.8611670000e+00 -5.3126900000e-01 -1.9037830000e+00 -8.3392600000e-01  3.5898800000e-01  1.0933920000e+00  1.1563270000e+00 -3.5739200000e-01  1.3955710000e+00  1.7146460000e+00 -6.0336000000e-02  5.1327700000e-01  5.2082400000e-01
-ENERGY -1.526607052203e+02
-FORCES  2.8003000000e-03 -4.9693000000e-03 -3.5800000000e-03 -3.1696000000e-03 -5.7010000000e-04  2.9818000000e-03  8.7400000000e-04  4.0497000000e-03 -1.4501000000e-03 -4.2617000000e-03 -3.1156000000e-03 -3.5490000000e-03  2.2345000000e-03 -1.5418000000e-03 -2.0164000000e-03  1.5225000000e-03  6.1472000000e-03  7.6138000000e-03
-
-JOB 33
-COORDS  9.0167900000e-01  7.9865900000e-01  9.9337700000e-01  1.6202750000e+00  1.1010190000e+00  4.3801200000e-01  6.8697200000e-01  1.5541550000e+00  1.5405130000e+00 -9.9052500000e-01 -8.4476700000e-01 -9.9351900000e-01 -2.7267400000e-01 -3.8076800000e-01 -5.6267600000e-01 -5.6723200000e-01 -1.5739530000e+00 -1.4466670000e+00
-ENERGY -1.526592968172e+02
-FORCES  1.5190000000e-03  6.2665000000e-03  3.3034000000e-03 -4.3339000000e-03 -2.3803000000e-03  1.4805000000e-03  2.3007000000e-03 -3.0331000000e-03 -2.3120000000e-03  5.1442000000e-03  6.8430000000e-04  3.4701000000e-03 -3.6639000000e-03 -4.4710000000e-03 -7.5378000000e-03 -9.6600000000e-04  2.9336000000e-03  1.5958000000e-03
-
-JOB 34
-COORDS  4.8958200000e-01  1.2684600000e+00 -7.5968500000e-01  1.9428400000e-01  1.0903310000e+00 -1.6526020000e+00  1.0025030000e+00  2.0733360000e+00 -8.3261600000e-01 -4.9236200000e-01 -1.3581130000e+00  8.4666400000e-01  6.9995000000e-02 -9.8320600000e-01  1.6885000000e-01 -1.2150860000e+00 -7.3605800000e-01  9.3002000000e-01
-ENERGY -1.526582678949e+02
-FORCES  2.1968000000e-03  5.0541000000e-03 -3.4750000000e-03  1.2882000000e-03 -3.1850000000e-04  4.7972000000e-03 -2.7084000000e-03 -3.2916000000e-03 -4.3900000000e-04  1.1353000000e-03  7.8696000000e-03 -2.5716000000e-03 -3.0027000000e-03 -5.7353000000e-03  1.4942000000e-03  1.0907000000e-03 -3.5783000000e-03  1.9430000000e-04
-
-JOB 35
-COORDS  1.1932530000e+00 -1.1865390000e+00  1.6476100000e-01  7.2911400000e-01 -1.3285770000e+00  9.8976500000e-01  5.6685900000e-01 -7.1581700000e-01 -3.8504200000e-01 -1.1293890000e+00  1.1047110000e+00 -2.2036100000e-01 -7.1854000000e-01  1.2759810000e+00  6.2704800000e-01 -1.5501930000e+00  1.9319250000e+00 -4.5461200000e-01
-ENERGY -1.526582680520e+02
-FORCES -6.0987000000e-03  1.3761000000e-03 -8.9100000000e-04  2.2011000000e-03  1.4652000000e-03 -2.3267000000e-03  5.3048000000e-03 -3.7512000000e-03  3.5744000000e-03 -1.1940000000e-03  6.1873000000e-03  1.8098000000e-03 -2.0224000000e-03 -2.0044000000e-03 -3.9408000000e-03  1.8092000000e-03 -3.2731000000e-03  1.7743000000e-03
-
-JOB 36
-COORDS -5.9790000000e-03  1.4305100000e+00 -6.5843700000e-01  2.3496700000e-01  1.7074710000e+00 -1.5424450000e+00 -6.2886100000e-01  2.0935070000e+00 -3.6063500000e-01 -3.5082000000e-02 -1.4903450000e+00  7.0659900000e-01  5.2170400000e-01 -7.1437800000e-01  6.4259700000e-01  5.5351500000e-01 -2.2235300000e+00  5.2708400000e-01
-ENERGY -1.526571946729e+02
-FORCES -3.2423000000e-03  3.6973000000e-03 -3.1619000000e-03 -9.6400000000e-04 -8.5000000000e-04  3.7704000000e-03  3.0063000000e-03 -2.3183000000e-03 -1.6196000000e-03  3.9879000000e-03  3.2551000000e-03 -2.4226000000e-03 -6.7980000000e-04 -6.6361000000e-03  3.1493000000e-03 -2.1081000000e-03  2.8520000000e-03  2.8430000000e-04
-
-JOB 37
-COORDS  1.0347640000e+00 -1.3148340000e+00 -1.7902600000e-01  1.0318090000e+00 -1.7466280000e+00  6.7524400000e-01  8.0638700000e-01 -4.0494700000e-01  1.1187000000e-02 -9.8098200000e-01  1.2352640000e+00  1.2606900000e-01 -1.6426390000e+00  1.3820440000e+00 -5.4987200000e-01 -1.0109410000e+00  2.0246330000e+00  6.6665300000e-01
-ENERGY -1.526591766427e+02
-FORCES -3.5815000000e-03  4.2598000000e-03  4.0642000000e-03  3.6820000000e-04  1.2706000000e-03 -2.8635000000e-03  5.3470000000e-03 -6.2689000000e-03 -6.1670000000e-04 -4.8232000000e-03  3.9516000000e-03 -1.7764000000e-03  2.5289000000e-03  4.3220000000e-04  3.5355000000e-03  1.6070000000e-04 -3.6453000000e-03 -2.3430000000e-03
-
-JOB 38
-COORDS  2.3266000000e-02 -1.8454100000e-01  1.6310640000e+00  3.6636500000e-01  6.8840200000e-01  1.8220760000e+00  8.0124900000e-01 -7.3723700000e-01  1.5568840000e+00 -1.3619800000e-01  1.2818400000e-01 -1.6235650000e+00  7.5516000000e-01 -8.5406000000e-02 -1.3477180000e+00 -4.5711000000e-02  9.4281600000e-01 -2.1179520000e+00
-ENERGY -1.526511982018e+02
-FORCES  3.0932000000e-03  1.7346000000e-03 -3.9660000000e-04 -9.4710000000e-04 -3.6754000000e-03 -7.8470000000e-04 -2.8306000000e-03  2.5749000000e-03 -8.3180000000e-04  3.6069000000e-03  1.9224000000e-03  1.2752000000e-03 -2.4479000000e-03  5.9360000000e-04 -1.8351000000e-03 -4.7450000000e-04 -3.1502000000e-03  2.5730000000e-03
-
-JOB 39
-COORDS -3.4604400000e-01  1.2221240000e+00 -9.9652300000e-01 -1.6498500000e-01  1.9289230000e+00 -1.6161080000e+00 -5.8513300000e-01  1.6697970000e+00 -1.8494600000e-01  3.7177600000e-01 -1.2480450000e+00  1.0353770000e+00  8.4150200000e-01 -1.5288480000e+00  2.5005000000e-01 -5.0506200000e-01 -1.6188740000e+00  9.3602100000e-01
-ENERGY -1.526553267659e+02
-FORCES  9.4000000000e-06  4.5238000000e-03  2.9153000000e-03 -3.6810000000e-04 -3.2989000000e-03  2.6182000000e-03 -1.0720000000e-04 -5.5060000000e-04 -4.4984000000e-03 -1.7010000000e-03 -1.0223000000e-03 -6.4637000000e-03 -1.0491000000e-03 -8.1740000000e-04  4.1184000000e-03  3.2160000000e-03  1.1654000000e-03  1.3102000000e-03
-
-JOB 40
-COORDS -9.3965300000e-01 -2.9011100000e-01  1.3414630000e+00 -1.0877250000e+00 -6.8301400000e-01  4.8126900000e-01 -1.7977550000e+00 -3.0964700000e-01  1.7651500000e+00  9.3039300000e-01  3.0223700000e-01 -1.3237530000e+00  1.4764060000e+00  1.8828200000e-01 -5.4586100000e-01  1.5360240000e+00  6.0678700000e-01 -1.9995440000e+00
-ENERGY -1.526572520323e+02
-FORCES -4.3433000000e-03 -9.4710000000e-04 -3.1398000000e-03 -9.7100000000e-05  3.5660000000e-04  5.7869000000e-03  3.1710000000e-03  2.6400000000e-05 -1.8250000000e-03  5.1222000000e-03  1.8227000000e-03  1.0985000000e-03 -1.6149000000e-03 -2.2090000000e-04 -4.8736000000e-03 -2.2380000000e-03 -1.0376000000e-03  2.9530000000e-03
-
-JOB 41
-COORDS -5.4077800000e-01  1.2050750000e+00 -1.0959140000e+00 -6.9797000000e-01  1.9193950000e+00 -4.7844400000e-01 -1.4003820000e+00  1.0221970000e+00 -1.4752130000e+00  6.1589800000e-01 -1.2828290000e+00  1.1145690000e+00  7.0943000000e-02 -1.3369000000e+00  3.2950000000e-01  7.0434600000e-01 -3.4439400000e-01  1.2811450000e+00
-ENERGY -1.526567637616e+02
-FORCES -4.7531000000e-03  4.0867000000e-03 -6.3620000000e-04  1.0832000000e-03 -3.8263000000e-03 -2.0894000000e-03  3.9884000000e-03  2.6120000000e-04  2.0359000000e-03 -1.8870000000e-03  5.4881000000e-03 -5.0793000000e-03  1.4334000000e-03 -2.5969000000e-03  4.0070000000e-03  1.3510000000e-04 -3.4128000000e-03  1.7620000000e-03
-
-JOB 42
-COORDS  1.2234560000e+00  7.7441400000e-01 -9.2142600000e-01  1.9599350000e+00  8.5834500000e-01 -3.1579600000e-01  1.5587160000e+00  1.1060900000e+00 -1.7543860000e+00 -1.2860090000e+00 -8.5276900000e-01  9.7675700000e-01 -1.0535970000e+00 -8.1995900000e-01  4.8780000000e-02 -1.4102240000e+00  6.3141000000e-02  1.2255760000e+00
-ENERGY -1.526574310493e+02
-FORCES  5.7773000000e-03  1.7574000000e-03 -6.3700000000e-04 -2.9387000000e-03  2.8480000000e-04 -3.0583000000e-03 -1.4295000000e-03 -1.4607000000e-03  3.6259000000e-03  2.2231000000e-03  4.9808000000e-03 -4.3747000000e-03 -3.3131000000e-03 -1.9576000000e-03  4.1880000000e-03 -3.1910000000e-04 -3.6047000000e-03  2.5610000000e-04
-
-JOB 43
-COORDS -4.7275200000e-01 -1.2193420000e+00  1.3010170000e+00  4.5216400000e-01 -1.1896400000e+00  1.5457230000e+00 -4.9357200000e-01 -8.9310300000e-01  4.0136900000e-01  3.6565600000e-01  1.2224520000e+00 -1.2798830000e+00  6.9275100000e-01  3.2996500000e-01 -1.3926070000e+00  1.1236500000e+00  1.7186110000e+00 -9.7084600000e-01
-ENERGY -1.526539013904e+02
-FORCES  2.7121000000e-03  3.4301000000e-03 -2.5378000000e-03 -3.3942000000e-03 -3.8320000000e-04 -1.3866000000e-03  1.4837000000e-03 -3.9828000000e-03  2.9538000000e-03  5.5129000000e-03  6.7570000000e-04 -3.4290000000e-04 -3.0420000000e-03  2.7726000000e-03  2.8530000000e-03 -3.2725000000e-03 -2.5125000000e-03 -1.5396000000e-03
-
-JOB 44
-COORDS -1.2516130000e+00 -2.0131300000e-01 -1.2627390000e+00 -6.2863900000e-01 -9.2407000000e-01 -1.1868620000e+00 -1.4435740000e+00 -1.4722300000e-01 -2.1989320000e+00  1.2631270000e+00  1.9673100000e-01  1.2826450000e+00  9.5170300000e-01  1.0282060000e+00  9.2501900000e-01  9.1460900000e-01  1.7322900000e-01  2.1738320000e+00
-ENERGY -1.526567238768e+02
-FORCES  2.2371000000e-03 -3.7579000000e-03 -2.9221000000e-03 -3.8014000000e-03  2.8640000000e-03 -1.8404000000e-03  9.5110000000e-04 -9.3000000000e-05  3.8313000000e-03 -3.7382000000e-03  4.0818000000e-03  1.9130000000e-03  2.6977000000e-03 -3.1315000000e-03  2.3835000000e-03  1.6537000000e-03  3.6600000000e-05 -3.3652000000e-03
-
-JOB 45
-COORDS  1.3421580000e+00  5.5606900000e-01 -1.1354100000e+00  1.2726120000e+00  2.7630200000e-01 -2.0481670000e+00  5.8086100000e-01  1.1199220000e+00 -9.9855600000e-01 -1.3391290000e+00 -5.2197600000e-01  1.1688970000e+00 -1.5477750000e+00 -1.4343950000e+00  1.3693710000e+00 -3.8541100000e-01 -5.0587200000e-01  1.0889250000e+00
-ENERGY -1.526572732690e+02
-FORCES -3.5464000000e-03  1.8363000000e-03 -4.7744000000e-03  5.3670000000e-04  1.2952000000e-03  3.6470000000e-03  4.0854000000e-03 -2.8602000000e-03  1.6000000000e-05  3.8785000000e-03 -4.2956000000e-03  4.7940000000e-04  7.0460000000e-04  3.5046000000e-03 -7.1250000000e-04 -5.6588000000e-03  5.1980000000e-04  1.3446000000e-03
-
-JOB 46
-COORDS -1.4608210000e+00  6.6752500000e-01 -9.2201100000e-01 -1.3854540000e+00  1.5872340000e+00 -1.1763490000e+00 -1.4073300000e+00  6.7764900000e-01  3.3640000000e-02  1.5097850000e+00 -7.4322000000e-01  8.9471000000e-01  1.2982620000e+00  1.1676400000e-01  5.3150500000e-01  6.6031700000e-01 -1.1659270000e+00  1.0210220000e+00
-ENERGY -1.526540793028e+02
-FORCES -1.5056000000e-03  4.6002000000e-03  1.7691000000e-03  1.1260000000e-04 -4.2202000000e-03  1.4027000000e-03  1.6372000000e-03 -9.6230000000e-04 -4.0423000000e-03 -4.3761000000e-03  9.7730000000e-04 -3.1475000000e-03  9.4940000000e-04 -2.7613000000e-03  3.2680000000e-03  3.1825000000e-03  2.3663000000e-03  7.5010000000e-04
-
-JOB 47
-COORDS -7.2422600000e-01  1.7204310000e+00  2.1897300000e-01  1.6423500000e-01  1.7856610000e+00 -1.3119200000e-01 -6.1015300000e-01  1.7451390000e+00  1.1690300000e+00  7.1854300000e-01 -1.7315100000e+00 -2.2016100000e-01  2.9920600000e-01 -9.1483300000e-01 -4.9113800000e-01  1.7305200000e-01 -2.4194240000e+00 -6.0153500000e-01
-ENERGY -1.526566327673e+02
-FORCES  3.6930000000e-03  2.7799000000e-03  4.1719000000e-03 -4.3409000000e-03 -2.1610000000e-03  8.7360000000e-04 -5.8820000000e-04  1.7900000000e-04 -4.4144000000e-03 -5.3025000000e-03  7.5000000000e-04 -2.4989000000e-03  4.2191000000e-03 -4.0418000000e-03  3.8480000000e-04  2.3195000000e-03  2.4939000000e-03  1.4831000000e-03
-
-JOB 48
-COORDS  1.5335280000e+00 -1.0318900000e-01  1.1293070000e+00  1.1130810000e+00 -2.6461700000e-01  2.8467900000e-01  1.9905210000e+00  7.3001000000e-01  1.0145500000e+00 -1.4824090000e+00  6.5346000000e-02 -1.0338150000e+00 -1.4972760000e+00  6.5751000000e-02 -1.9909000000e+00 -2.4034220000e+00  7.9090000000e-03 -7.7951700000e-01
-ENERGY -1.526567835894e+02
-FORCES -2.0618000000e-03  2.8471000000e-03 -4.6316000000e-03  4.9737000000e-03  9.6200000000e-05  3.9334000000e-03 -1.2881000000e-03 -3.1256000000e-03  5.5690000000e-04 -5.8012000000e-03 -2.0000000000e-04 -2.1756000000e-03  5.6670000000e-04  1.4700000000e-05  4.1881000000e-03  3.6107000000e-03  3.6750000000e-04 -1.8713000000e-03
-
-JOB 49
-COORDS  7.2029000000e-02 -8.2516000000e-01 -1.7361310000e+00 -3.2950200000e-01 -3.5528100000e-01 -1.0052290000e+00  1.9564500000e-01 -1.7163960000e+00 -1.4095570000e+00 -6.1219000000e-02  7.8070800000e-01  1.6954700000e+00 -6.1614800000e-01  1.2032180000e+00  1.0399010000e+00  4.9914300000e-01  1.4835330000e+00  2.0245050000e+00
-ENERGY -1.526549466252e+02
-FORCES -1.4020000000e-04 -2.3638000000e-03  5.9692000000e-03 -1.3410000000e-04 -2.3860000000e-04 -4.2090000000e-03 -6.0960000000e-04  3.1986000000e-03 -2.1739000000e-03  1.0887000000e-03  6.1748000000e-03  3.4230000000e-04  2.5779000000e-03 -3.8165000000e-03  1.1422000000e-03 -2.7827000000e-03 -2.9546000000e-03 -1.0707000000e-03
-
-JOB 50
-COORDS -1.5828880000e+00  1.1182990000e+00  1.7398000000e-02 -6.8753300000e-01  1.4564810000e+00  3.1724000000e-02 -1.8791810000e+00  1.2615600000e+00 -8.8144500000e-01  1.5483900000e+00 -1.0925290000e+00  7.5542000000e-02  1.0902740000e+00 -1.2327930000e+00 -7.5312400000e-01  2.0303310000e+00 -1.9061110000e+00  2.2403100000e-01
-ENERGY -1.526548140804e+02
-FORCES  3.1216000000e-03  2.2866000000e-03 -2.3288000000e-03 -4.7449000000e-03 -7.0100000000e-04 -1.0148000000e-03  1.4315000000e-03 -1.1394000000e-03  3.4247000000e-03 -5.5580000000e-04 -4.8147000000e-03 -2.1614000000e-03  2.6926000000e-03  1.1026000000e-03  2.8594000000e-03 -1.9450000000e-03  3.2659000000e-03 -7.7920000000e-04
-
-JOB 51
-COORDS  1.4371050000e+00  1.2460000000e+00  6.9759000000e-02  2.3636590000e+00  1.1373480000e+00  2.8406200000e-01  1.4238910000e+00  1.3777420000e+00 -8.7823900000e-01 -1.5276840000e+00 -1.2973590000e+00  1.3560000000e-03 -1.7902380000e+00 -3.8384700000e-01 -1.1174900000e-01 -6.2086700000e-01 -1.3259720000e+00 -3.0375900000e-01
-ENERGY -1.526556674841e+02
-FORCES  5.1962000000e-03  1.4627000000e-03 -2.0804000000e-03 -3.9997000000e-03  4.3000000000e-04 -1.2374000000e-03 -7.3390000000e-04 -1.4441000000e-03  4.1083000000e-03  3.9697000000e-03  4.8887000000e-03 -3.9050000000e-04 -1.1390000000e-04 -3.9561000000e-03 -3.5900000000e-04 -4.3184000000e-03 -1.3812000000e-03 -4.0900000000e-05
-
-JOB 52
-COORDS -1.8949510000e+00 -1.7806400000e-01 -3.3810200000e-01 -2.7181130000e+00  8.1538000000e-02 -7.5191800000e-01 -1.2199430000e+00  7.1186000000e-02 -9.6934700000e-01  1.9264810000e+00  1.9796500000e-01  4.4182200000e-01  1.9390820000e+00  1.1533300000e-01 -5.1172100000e-01  1.5265610000e+00 -6.1601400000e-01  7.4798200000e-01
-ENERGY -1.526542384301e+02
-FORCES -1.0363000000e-03  3.1363000000e-03 -3.9275000000e-03  3.4949000000e-03 -1.0747000000e-03  1.6380000000e-03 -2.5208000000e-03 -2.1364000000e-03  1.9946000000e-03 -1.4674000000e-03 -4.1493000000e-03 -1.3707000000e-03 -9.8860000000e-04  7.1550000000e-04  3.5078000000e-03  2.5182000000e-03  3.5086000000e-03 -1.8422000000e-03
-
-JOB 53
-COORDS  1.2859810000e+00  1.4816890000e+00 -2.2250000000e-02  1.8966650000e+00  1.9487520000e+00 -5.9246900000e-01  6.8745500000e-01  2.1584590000e+00  2.9394500000e-01 -1.2245570000e+00 -1.5547480000e+00  7.3942000000e-02 -1.6555430000e+00 -2.1907040000e+00 -4.9706000000e-01 -1.7912550000e+00 -7.8385900000e-01  4.5402000000e-02
-ENERGY -1.526526385198e+02
-FORCES  4.6870000000e-04  4.3696000000e-03 -9.5360000000e-04 -2.5557000000e-03 -1.9871000000e-03  2.3731000000e-03  1.9848000000e-03 -2.9681000000e-03 -1.4401000000e-03 -3.2828000000e-03  1.3356000000e-03 -2.7676000000e-03  1.8428000000e-03  2.4944000000e-03  2.3467000000e-03  1.5422000000e-03 -3.2445000000e-03  4.4160000000e-04
-
-JOB 54
-COORDS  1.3389150000e+00 -6.3421100000e-01 -1.5283130000e+00  5.6743700000e-01 -1.5873700000e-01 -1.8364960000e+00  1.3110980000e+00 -5.4502000000e-01 -5.7568300000e-01 -1.2322500000e+00  5.9189600000e-01  1.4535120000e+00 -1.9642380000e+00  1.1819600000e+00  1.2739310000e+00 -1.4775620000e+00  1.4480500000e-01  2.2635520000e+00
-ENERGY -1.526564626795e+02
-FORCES -4.2300000000e-03  2.7289000000e-03  3.8606000000e-03  3.2321000000e-03 -1.8334000000e-03 -2.6800000000e-05  1.6506000000e-03 -1.1274000000e-03 -4.4565000000e-03 -4.7045000000e-03  7.9040000000e-04  3.3673000000e-03  3.0443000000e-03 -2.5541000000e-03  6.5330000000e-04  1.0075000000e-03  1.9956000000e-03 -3.3981000000e-03
-
-JOB 55
-COORDS  1.2193400000e+00 -1.2657470000e+00 -1.0058160000e+00  1.0706060000e+00 -2.1773900000e+00 -7.5478400000e-01  1.0274830000e+00 -1.2406020000e+00 -1.9432550000e+00 -1.2091830000e+00  1.2496800000e+00  1.0155630000e+00 -1.7368230000e+00  2.0193950000e+00  8.0256900000e-01 -5.7619300000e-01  1.5638160000e+00  1.6612200000e+00
-ENERGY -1.526532529293e+02
-FORCES -2.6810000000e-03 -3.1696000000e-03 -2.5225000000e-03  1.0309000000e-03  3.5083000000e-03 -1.0535000000e-03  1.1910000000e-03 -2.5190000000e-04  3.5327000000e-03  1.5485000000e-03  4.1416000000e-03  1.5443000000e-03  2.0150000000e-03 -3.2410000000e-03  6.7710000000e-04 -3.1044000000e-03 -9.8720000000e-04 -2.1781000000e-03
-
-JOB 56
-COORDS -1.0811280000e+00 -1.6709550000e+00 -4.0718100000e-01 -1.8390260000e+00 -1.7314550000e+00 -9.8869700000e-01 -1.0536830000e+00 -2.5167900000e+00  4.0079000000e-02  1.0656310000e+00  1.7194310000e+00  4.4608300000e-01  1.8038500000e+00  2.2351650000e+00  7.7055700000e-01  1.3876010000e+00  1.3222670000e+00 -3.6313100000e-01
-ENERGY -1.526538059661e+02
-FORCES -3.4178000000e-03 -3.4965000000e-03  2.1110000000e-04  3.2922000000e-03  1.8050000000e-04  2.2098000000e-03 -7.9100000000e-05  3.3403000000e-03 -2.0567000000e-03  3.8093000000e-03 -5.9850000000e-04 -2.4401000000e-03 -3.0570000000e-03 -2.1244000000e-03 -1.1515000000e-03 -5.4760000000e-04  2.6985000000e-03  3.2275000000e-03
-
-JOB 57
-COORDS  1.3261250000e+00  1.5951380000e+00  2.6020600000e-01  1.9979040000e+00  1.6972070000e+00  9.3439100000e-01  5.0172400000e-01  1.7684400000e+00  7.1469600000e-01 -1.3302010000e+00 -1.6354370000e+00 -3.9189500000e-01 -1.8471480000e+00 -1.0082100000e+00  1.1365800000e-01 -5.8949000000e-01 -1.8486560000e+00  1.7565800000e-01
-ENERGY -1.526535177527e+02
-FORCES -3.9420000000e-04  1.9842000000e-03  4.0935000000e-03 -2.9599000000e-03 -7.6590000000e-04 -2.8122000000e-03  3.2118000000e-03 -1.2827000000e-03 -1.5415000000e-03  1.9200000000e-03  2.0186000000e-03  3.8544000000e-03  1.9275000000e-03 -2.2812000000e-03 -1.7612000000e-03 -3.7052000000e-03  3.2710000000e-04 -1.8331000000e-03
-
-JOB 58
-COORDS  6.6314600000e-01 -4.2483700000e-01 -1.9240970000e+00  1.2885890000e+00  2.7963000000e-01 -1.7544550000e+00  1.8876300000e-01 -1.4153200000e-01 -2.7057180000e+00 -7.1265900000e-01  3.0843600000e-01  1.9834000000e+00 -4.3808800000e-01  5.6122900000e-01  1.1019590000e+00 -3.0311800000e-01  9.5587800000e-01  2.5572700000e+00
-ENERGY -1.526546503937e+02
-FORCES  1.1682000000e-03  2.9511000000e-03 -4.2263000000e-03 -3.3955000000e-03 -2.6055000000e-03  2.5110000000e-04  2.1295000000e-03 -1.0213000000e-03  3.5484000000e-03  2.7213000000e-03  2.7364000000e-03 -2.0699000000e-03 -1.1028000000e-03  4.4950000000e-04  4.9455000000e-03 -1.5205000000e-03 -2.5103000000e-03 -2.4488000000e-03
-
-JOB 59
-COORDS -1.0245850000e+00 -1.0512800000e-01  1.8055610000e+00 -1.6807290000e+00 -7.4988500000e-01  2.0701270000e+00 -9.8752300000e-01  5.1296200000e-01  2.5355090000e+00  1.0797400000e+00  1.6116600000e-01 -1.8380730000e+00  4.9562700000e-01 -4.9748300000e-01 -1.4622720000e+00  1.3213850000e+00 -1.9272300000e-01 -2.6939950000e+00
-ENERGY -1.526547785014e+02
-FORCES -2.2696000000e-03  8.7340000000e-04  4.6937000000e-03  2.8029000000e-03  2.4671000000e-03 -1.4523000000e-03 -4.9250000000e-04 -2.8373000000e-03 -2.7259000000e-03 -1.9838000000e-03 -4.0789000000e-03 -7.3660000000e-04  2.9039000000e-03  2.1512000000e-03 -3.1768000000e-03 -9.6080000000e-04  1.4246000000e-03  3.3980000000e-03
-
-JOB 60
-COORDS -6.2183300000e-01 -6.4102600000e-01 -2.0289320000e+00 -6.9014500000e-01 -1.7718300000e-01 -1.1944170000e+00  2.0802000000e-02 -1.3318460000e+00 -1.8676220000e+00  5.3852000000e-01  6.2637800000e-01  1.9542280000e+00  9.5558900000e-01  1.4173980000e+00  1.6128020000e+00  1.0903160000e+00  3.6290000000e-01  2.6906600000e+00
-ENERGY -1.526560991412e+02
-FORCES  2.1719000000e-03 -1.0921000000e-03  5.2361000000e-03  6.4300000000e-05 -1.4265000000e-03 -4.8804000000e-03 -2.3721000000e-03  2.5160000000e-03 -1.2779000000e-03  4.2556000000e-03  2.4288000000e-03  3.0468000000e-03 -1.9451000000e-03 -3.6837000000e-03  1.0072000000e-03 -2.1747000000e-03  1.2576000000e-03 -3.1318000000e-03
-
-JOB 61
-COORDS  1.1619980000e+00 -8.1701400000e-01 -1.6570530000e+00  1.3400950000e+00 -1.6072260000e+00 -1.1470740000e+00  2.6576300000e-01 -9.3212600000e-01 -1.9728740000e+00 -1.1873040000e+00  8.4871200000e-01  1.6666770000e+00 -5.4111100000e-01  1.4110510000e+00  2.0938080000e+00 -7.5834400000e-01  5.5880800000e-01  8.6158000000e-01
-ENERGY -1.526556505406e+02
-FORCES -1.9429000000e-03 -4.9590000000e-03 -9.3740000000e-04 -1.0221000000e-03  3.8360000000e-03 -1.8844000000e-03  3.7057000000e-03  1.0640000000e-03  2.2821000000e-03  5.0559000000e-03  1.5672000000e-03 -1.8625000000e-03 -2.7822000000e-03 -2.2460000000e-03 -1.3686000000e-03 -3.0145000000e-03  7.3780000000e-04  3.7709000000e-03
-
-JOB 62
-COORDS -2.4043700000e-01 -7.2505600000e-01 -2.2222370000e+00 -6.6083700000e-01 -6.6445000000e-02 -1.6693120000e+00  6.5893800000e-01 -7.7199800000e-01 -1.8979660000e+00  1.7711500000e-01  7.4969800000e-01  2.1638300000e+00  1.0628620000e+00  6.6986300000e-01  2.5178200000e+00 -9.2408000000e-02 -1.5140700000e-01  1.9860680000e+00
-ENERGY -1.526549567324e+02
-FORCES  2.0058000000e-03  3.4195000000e-03  3.2808000000e-03  1.5262000000e-03 -3.4642000000e-03 -2.4356000000e-03 -3.6260000000e-03 -3.6620000000e-04 -1.1868000000e-03  2.4563000000e-03 -3.9654000000e-03  2.1461000000e-03 -3.6876000000e-03  2.5550000000e-04 -1.7713000000e-03  1.3253000000e-03  4.1207000000e-03 -3.3200000000e-05
-
-JOB 63
-COORDS -9.6496700000e-01  1.9242990000e+00 -8.1005800000e-01 -6.0144000000e-01  1.1794620000e+00 -1.2889090000e+00 -6.9265600000e-01  2.6903830000e+00 -1.3152240000e+00  8.7930600000e-01 -1.9694620000e+00  8.4328700000e-01  1.7929130000e+00 -2.1871430000e+00  1.0281320000e+00  7.9638400000e-01 -1.0493830000e+00  1.0939090000e+00
-ENERGY -1.526551324623e+02
-FORCES  1.9277000000e-03  1.5320000000e-04 -4.7151000000e-03 -1.1283000000e-03  3.5369000000e-03  2.5265000000e-03 -1.0301000000e-03 -3.1653000000e-03  2.1231000000e-03  3.1818000000e-03  2.8161000000e-03  2.6293000000e-03 -3.6959000000e-03  9.1280000000e-04 -8.8730000000e-04  7.4480000000e-04 -4.2537000000e-03 -1.6764000000e-03
-
-JOB 64
-COORDS  7.6522600000e-01  9.9282000000e-01  2.0517200000e+00  4.8235000000e-01  8.5970000000e-02  2.1693490000e+00  1.3896240000e+00  9.5736700000e-01  1.3270800000e+00 -8.4752700000e-01 -9.6263800000e-01 -2.0325310000e+00 -3.7326000000e-02 -1.3731990000e+00 -2.3345980000e+00 -5.5754000000e-01 -2.0886200000e-01 -1.5187600000e+00
-ENERGY -1.526539249461e+02
-FORCES  1.6812000000e-03 -3.9395000000e-03 -1.2791000000e-03  1.3277000000e-03  4.0568000000e-03 -9.0840000000e-04 -3.1275000000e-03  6.2100000000e-05  2.2913000000e-03  3.9495000000e-03  1.7546000000e-03  2.8930000000e-04 -3.2190000000e-03  1.7595000000e-03  1.6431000000e-03 -6.1180000000e-04 -3.6934000000e-03 -2.0362000000e-03
-
-JOB 65
-COORDS  7.1300300000e-01  1.0418400000e-01  2.3773680000e+00  7.1375400000e-01 -7.0781900000e-01  1.8705330000e+00  6.9769500000e-01  7.9834000000e-01  1.7184710000e+00 -7.5274100000e-01 -7.7030000000e-02 -2.3751110000e+00  8.5212000000e-02 -5.3969400000e-01 -2.3722630000e+00 -9.5210200000e-01  6.4100000000e-02 -1.4496010000e+00
-ENERGY -1.526531744126e+02
-FORCES  4.8790000000e-04 -3.2280000000e-04 -3.9065000000e-03 -3.1200000000e-04  3.7045000000e-03  1.5188000000e-03 -3.6180000000e-04 -3.4448000000e-03  2.2889000000e-03  2.1123000000e-03 -1.4749000000e-03  3.1189000000e-03 -3.5055000000e-03  2.0794000000e-03  5.2110000000e-04  1.5791000000e-03 -5.4140000000e-04 -3.5412000000e-03
-
-JOB 66
-COORDS  6.1879500000e-01  3.8062000000e-02 -2.4453420000e+00  6.0335300000e-01  7.5337500000e-01 -3.0812040000e+00 -2.0271500000e-01  1.2844300000e-01 -1.9624500000e+00 -5.5227000000e-01 -1.1800000000e-02  2.4331490000e+00 -3.9552000000e-02 -7.1337700000e-01  2.8345750000e+00 -1.4380200000e+00 -3.6882300000e-01  2.3682420000e+00
-ENERGY -1.526543557378e+02
-FORCES -3.3059000000e-03  3.6176000000e-03  1.0700000000e-04  4.8600000000e-05 -2.9442000000e-03  2.4129000000e-03  3.0398000000e-03 -6.6160000000e-04 -2.6890000000e-03 -9.9840000000e-04 -4.5310000000e-03  1.7781000000e-03 -2.3456000000e-03  2.9126000000e-03 -1.4825000000e-03  3.5615000000e-03  1.6066000000e-03 -1.2650000000e-04
-
-JOB 67
-COORDS  3.0413000000e-02 -1.1450040000e+00 -2.4991010000e+00  7.8829900000e-01 -1.7270800000e+00 -2.5541210000e+00  3.8222300000e-01 -3.2504400000e-01 -2.1525070000e+00 -1.0518500000e-01  1.0597320000e+00  2.4557410000e+00 -3.0829200000e-01  1.9149840000e+00  2.0768950000e+00  3.1488500000e-01  1.2612830000e+00  3.2918930000e+00
-ENERGY -1.526540980560e+02
-FORCES  4.4805000000e-03  8.7410000000e-04  1.9514000000e-03 -3.0186000000e-03  2.3203000000e-03 -4.8000000000e-05 -1.3896000000e-03 -3.0990000000e-03 -1.9581000000e-03  4.9870000000e-04  4.2721000000e-03  2.2190000000e-03  1.0902000000e-03 -3.5454000000e-03  1.3383000000e-03 -1.6611000000e-03 -8.2200000000e-04 -3.5026000000e-03
-
-JOB 68
-COORDS  4.0339800000e-01  2.7457880000e+00  1.8779800000e-01  1.2258690000e+00  2.3265900000e+00 -6.5275000000e-02  4.6640900000e-01  2.8438340000e+00  1.1378760000e+00 -4.2697300000e-01 -2.7653440000e+00 -2.7579500000e-01 -3.9212400000e-01 -3.0307570000e+00  6.4321200000e-01 -7.8841000000e-01 -1.8792240000e+00 -2.5613500000e-01
-ENERGY -1.526545436899e+02
-FORCES  4.0182000000e-03 -6.9470000000e-04  2.6833000000e-03 -3.6289000000e-03  1.5809000000e-03  1.1871000000e-03 -4.0590000000e-04 -6.6380000000e-04 -3.8950000000e-03 -1.7088000000e-03  2.6344000000e-03  3.6519000000e-03  6.6000000000e-06  1.0980000000e-03 -3.6759000000e-03  1.7189000000e-03 -3.9547000000e-03  4.8600000000e-05
-
-JOB 69
-COORDS -2.1447000000e-01  1.2149910000e+00 -2.5862430000e+00  4.7110100000e-01  8.3228700000e-01 -2.0387380000e+00 -5.0794100000e-01  4.9351700000e-01 -3.1426430000e+00  1.3858200000e-01 -1.1394020000e+00  2.5780510000e+00  7.4783700000e-01 -8.7587900000e-01  3.2676850000e+00  6.3709400000e-01 -1.7537990000e+00  2.0393180000e+00
-ENERGY -1.526538362229e+02
-FORCES  1.3006000000e-03 -4.4954000000e-03  3.9340000000e-04 -2.5039000000e-03  1.4772000000e-03 -2.5474000000e-03  1.3058000000e-03  2.9119000000e-03  2.1636000000e-03  4.3673000000e-03 -1.4361000000e-03  1.0697000000e-03 -2.4661000000e-03 -1.1317000000e-03 -2.9420000000e-03 -2.0038000000e-03  2.6741000000e-03  1.8626000000e-03
-
-JOB 70
-COORDS -1.3404360000e+00 -2.2146770000e+00 -1.4973780000e+00 -7.2607900000e-01 -2.8135100000e+00 -1.9218730000e+00 -1.4722060000e+00 -2.5849530000e+00 -6.2458700000e-01  1.3304300000e+00  2.2552740000e+00  1.5298570000e+00  1.7988970000e+00  2.7366630000e+00  8.4792200000e-01  4.4917600000e-01  2.1346760000e+00  1.1761910000e+00
-ENERGY -1.526545692273e+02
-FORCES  2.0553000000e-03 -4.1920000000e-03  1.8563000000e-03 -2.5472000000e-03  2.4587000000e-03  1.6795000000e-03  4.5890000000e-04  1.6069000000e-03 -3.6027000000e-03 -1.8257000000e-03  1.3606000000e-03 -4.4889000000e-03 -1.7840000000e-03 -1.8663000000e-03  2.8447000000e-03  3.6427000000e-03  6.3200000000e-04  1.7112000000e-03
-
-JOB 71
-COORDS  2.2019700000e+00  2.1262020000e+00  8.8290700000e-01  2.5704430000e+00  1.2494200000e+00  9.9112800000e-01  2.7809180000e+00  2.5536020000e+00  2.5173400000e-01 -2.2335380000e+00 -2.1276790000e+00 -9.1193600000e-01 -2.8275480000e+00 -1.3968100000e+00 -7.4101400000e-01 -1.9797770000e+00 -2.4389390000e+00 -4.3055000000e-02
-ENERGY -1.526542879072e+02
-FORCES  3.9039000000e-03 -1.8641000000e-03 -2.3706000000e-03 -1.5261000000e-03  3.5747000000e-03 -2.7510000000e-04 -2.3232000000e-03 -1.6926000000e-03  2.6438000000e-03 -1.4039000000e-03  1.9945000000e-03  4.2960000000e-03  2.3067000000e-03 -3.1318000000e-03 -7.4370000000e-04 -9.5740000000e-04  1.1193000000e-03 -3.5504000000e-03
-
-JOB 72
-COORDS -2.3227400000e-01 -1.5230500000e-01 -3.4817230000e+00 -8.8718800000e-01  1.1730600000e-01 -4.1256410000e+00 -2.2213300000e-01  5.5650200000e-01 -2.8385100000e+00  2.9087800000e-01  9.7297000000e-02  3.5404410000e+00 -5.3192100000e-01  4.3910200000e-01  3.1905790000e+00  7.1960400000e-01 -3.1203200000e-01  2.7888590000e+00
-ENERGY -1.526540446374e+02
-FORCES -2.6128000000e-03  4.0542000000e-03 -3.7120000000e-04  2.6780000000e-03 -1.0989000000e-03  2.7224000000e-03 -6.3800000000e-05 -3.0209000000e-03 -2.3468000000e-03 -1.5796000000e-03 -5.1880000000e-04 -4.4253000000e-03  3.3686000000e-03 -1.2679000000e-03  1.3542000000e-03 -1.7904000000e-03  1.8524000000e-03  3.0666000000e-03
-
-JOB 73
-COORDS -4.1079400000e-01  3.3564520000e+00 -1.3143200000e+00 -4.8338100000e-01  2.4730160000e+00 -9.5306800000e-01 -1.0259850000e+00  3.8778790000e+00 -7.9867900000e-01  4.9606000000e-01 -3.3448340000e+00  1.2164280000e+00  2.0201500000e-01 -3.9308750000e+00  1.9137980000e+00 -2.2279000000e-02 -2.5492200000e+00  1.3370710000e+00
-ENERGY -1.526537905070e+02
-FORCES -2.7215000000e-03 -1.4430000000e-03  3.4547000000e-03  2.0050000000e-04  3.5760000000e-03 -1.3337000000e-03  2.5079000000e-03 -2.1927000000e-03 -2.0694000000e-03 -3.2415000000e-03  6.4470000000e-04  3.4111000000e-03  1.1825000000e-03  2.4587000000e-03 -2.8734000000e-03  2.0721000000e-03 -3.0436000000e-03 -5.8930000000e-04
-
-JOB 74
-COORDS  1.9911500000e+00 -1.8727900000e-01 -3.2612660000e+00  1.6773530000e+00 -1.0503420000e+00 -2.9912930000e+00  1.3635030000e+00  4.2645600000e-01 -2.8796640000e+00 -1.9621450000e+00  1.8983700000e-01  3.1581320000e+00 -2.4157140000e+00  1.8772000000e-02  3.9835070000e+00 -1.1140520000e+00  5.4807400000e-01  3.4201170000e+00
-ENERGY -1.526543653061e+02
-FORCES -4.0063000000e-03 -1.0443000000e-03  2.6928000000e-03  1.3834000000e-03  3.4837000000e-03 -1.1446000000e-03  2.6738000000e-03 -2.4368000000e-03 -1.5919000000e-03  1.5174000000e-03  7.8260000000e-04  4.6115000000e-03  1.8747000000e-03  6.9690000000e-04 -3.3808000000e-03 -3.4430000000e-03 -1.4821000000e-03 -1.1869000000e-03
-
-JOB 75
-COORDS  1.8688650000e+00  6.6452000000e-01  3.4063430000e+00  2.4432720000e+00  5.8452600000e-01  2.6448380000e+00  1.0959350000e+00  1.1230180000e+00  3.0768140000e+00 -1.9142610000e+00 -6.5761300000e-01 -3.3310050000e+00 -1.0625330000e+00 -2.3479500000e-01 -3.4406270000e+00 -1.7318690000e+00 -1.5925980000e+00 -3.4246450000e+00
-ENERGY -1.526540546542e+02
-FORCES -9.2280000000e-04  1.5806000000e-03 -4.3928000000e-03 -2.3072000000e-03  2.9280000000e-04  3.0505000000e-03  3.2503000000e-03 -1.8736000000e-03  1.3306000000e-03  4.1077000000e-03 -2.2125000000e-03 -1.0039000000e-03 -3.4300000000e-03 -1.6659000000e-03  5.9760000000e-04 -6.9800000000e-04  3.8787000000e-03  4.1810000000e-04
-
-JOB 76
-COORDS  3.0845600000e-01 -4.0638900000e-01  4.2278320000e+00  1.1043420000e+00  1.0641000000e-01  4.0869960000e+00 -2.2062000000e-01 -2.4791700000e-01  3.4460410000e+00 -3.0224600000e-01  4.2411800000e-01 -4.1670460000e+00 -5.9747000000e-01  8.6301000000e-02 -5.0125950000e+00 -4.6529000000e-01 -2.9145700000e-01 -3.5525530000e+00
-ENERGY -1.526541418732e+02
-FORCES  1.1154000000e-03  2.8588000000e-03 -3.7291000000e-03 -3.2518000000e-03 -2.1416000000e-03  5.8240000000e-04  2.1326000000e-03 -7.4560000000e-04  3.1548000000e-03 -1.8817000000e-03 -4.3312000000e-03 -1.1208000000e-03  1.2053000000e-03  1.3789000000e-03  3.4843000000e-03  6.8030000000e-04  2.9806000000e-03 -2.3717000000e-03
-
-JOB 77
-COORDS -2.5173100000e+00  3.4264890000e+00 -9.6457200000e-01 -3.4678110000e+00  3.4632180000e+00 -8.5765500000e-01 -2.3786720000e+00  2.7830810000e+00 -1.6595810000e+00  2.5390270000e+00 -3.3630330000e+00  9.4139000000e-01  2.5322670000e+00 -4.2943950000e+00  1.1621860000e+00  2.8354040000e+00 -2.9288970000e+00  1.7413390000e+00
-ENERGY -1.526541324800e+02
-FORCES -3.2229000000e-03 -2.5976000000e-03 -2.4143000000e-03  3.8471000000e-03 -1.1210000000e-04 -4.1830000000e-04 -6.3970000000e-04  2.7082000000e-03  2.8120000000e-03  1.2048000000e-03 -1.9445000000e-03  4.2110000000e-03  8.2000000000e-06  3.7800000000e-03 -9.2250000000e-04 -1.1976000000e-03 -1.8339000000e-03 -3.2679000000e-03
-
-JOB 78
-COORDS -3.1365190000e+00  3.3472300000e+00 -1.6537620000e+00 -2.6690530000e+00  4.0515020000e+00 -2.1028810000e+00 -2.9140940000e+00  2.5582460000e+00 -2.1479920000e+00  3.1424720000e+00 -3.3122160000e+00  1.7418770000e+00  2.6262080000e+00 -2.8566590000e+00  1.0769170000e+00  2.9293820000e+00 -4.2372740000e+00  1.6190280000e+00
-ENERGY -1.526540117110e+02
-FORCES  2.7894000000e-03 -2.6060000000e-04 -3.8481000000e-03 -1.9049000000e-03 -2.9102000000e-03  1.8254000000e-03 -8.8010000000e-04  3.1646000000e-03  2.0355000000e-03 -3.0114000000e-03 -1.9127000000e-03 -3.1444000000e-03  2.1270000000e-03 -1.8607000000e-03  2.6578000000e-03  8.8000000000e-04  3.7796000000e-03  4.7380000000e-04
-
-JOB 79
-COORDS -1.0665470000e+00  4.2232590000e+00  2.4079460000e+00 -1.7837540000e+00  4.6091650000e+00  2.9108600000e+00 -1.4188180000e+00  3.3937830000e+00  2.0852910000e+00  1.0834910000e+00 -4.2480490000e+00 -2.4058580000e+00  1.8097810000e+00 -3.9234630000e+00 -1.8735250000e+00  1.1217810000e+00 -3.7265470000e+00 -3.2076070000e+00
-ENERGY -1.526541576970e+02
-FORCES -4.4049000000e-03 -1.8088000000e-03  7.6920000000e-04  2.9323000000e-03 -1.5668000000e-03 -2.0565000000e-03  1.4748000000e-03  3.3905000000e-03  1.2923000000e-03  3.1845000000e-03  3.4291000000e-03 -1.1259000000e-03 -2.9975000000e-03 -1.3220000000e-03 -2.1595000000e-03 -1.8930000000e-04 -2.1219000000e-03  3.2803000000e-03
-
-JOB 80
-COORDS  9.9607700000e-01  4.3264180000e+00 -2.4104740000e+00  1.9133900000e-01  4.5757590000e+00 -2.8648510000e+00  6.9627900000e-01  3.8674440000e+00 -1.6258110000e+00 -9.9220200000e-01 -4.2894370000e+00  2.4201730000e+00 -4.1656300000e-01 -3.9156520000e+00  1.7529740000e+00 -6.2759900000e-01 -5.1574940000e+00  2.5927280000e+00
-ENERGY -1.526541339773e+02
-FORCES -4.5432000000e-03 -7.9550000000e-04  1.3693000000e-03  3.2963000000e-03 -1.0317000000e-03  1.8401000000e-03  1.2568000000e-03  1.8303000000e-03 -3.2192000000e-03  3.8622000000e-03 -2.0877000000e-03 -1.9971000000e-03 -2.3781000000e-03 -1.4674000000e-03  2.7153000000e-03 -1.4940000000e-03  3.5519000000e-03 -7.0850000000e-04
-
-JOB 81
-COORDS  4.5214710000e+00  2.0992930000e+00  1.0990920000e+00  5.0384170000e+00  2.8921080000e+00  1.2420710000e+00  4.6576480000e+00  1.5780640000e+00  1.8902980000e+00 -4.5194360000e+00 -2.0876270000e+00 -1.1313970000e+00 -4.6400640000e+00 -3.0355710000e+00 -1.1869260000e+00 -5.2713750000e+00 -1.7223010000e+00 -1.5976120000e+00
-ENERGY -1.526539665229e+02
-FORCES  2.5717000000e-03  1.0766000000e-03  3.8223000000e-03 -2.0867000000e-03 -3.2267000000e-03 -5.9260000000e-04 -5.0060000000e-04  2.1409000000e-03 -3.2252000000e-03 -3.4996000000e-03 -2.3441000000e-03 -2.1638000000e-03  4.7200000000e-04  3.8571000000e-03  2.4380000000e-04  3.0433000000e-03 -1.5038000000e-03  1.9155000000e-03
-
-JOB 82
-COORDS  1.0969320000e+00  1.8409570000e+00  4.7985550000e+00  1.6131920000e+00  2.4114560000e+00  4.2291350000e+00  1.0048560000e+00  2.3348400000e+00  5.6133140000e+00 -1.0731000000e+00 -1.9384430000e+00 -4.8013790000e+00 -1.1132040000e+00 -1.3088870000e+00 -5.5212980000e+00 -1.8903870000e+00 -1.8060740000e+00 -4.3210120000e+00
-ENERGY -1.526540555777e+02
-FORCES  1.7793000000e-03  4.3083000000e-03  9.8700000000e-04 -2.1316000000e-03 -2.3018000000e-03  2.3353000000e-03  3.5780000000e-04 -2.0077000000e-03 -3.3252000000e-03 -3.5072000000e-03  3.0944000000e-03 -9.0550000000e-04  1.7470000000e-04 -2.5602000000e-03  2.9187000000e-03  3.3269000000e-03 -5.3300000000e-04 -2.0103000000e-03
-
-JOB 83
-COORDS  3.4983000000e-02  8.2287000000e-02 -5.7028090000e+00 -6.2862900000e-01  1.3912100000e-01 -5.0153340000e+00  3.5872200000e-01  9.7798100000e-01 -5.7984990000e+00 -3.8311000000e-02 -1.8882600000e-01  5.6911340000e+00 -4.9402300000e-01  4.7766100000e-01  5.1769810000e+00  8.3989200000e-01  1.6849200000e-01  5.8227210000e+00
-ENERGY -1.526540223236e+02
-FORCES -1.4027000000e-03  3.8533000000e-03  2.3913000000e-03  2.7204000000e-03 -2.0440000000e-04 -2.7943000000e-03 -1.3167000000e-03 -3.6470000000e-03  4.1030000000e-04  1.7464000000e-03  4.1549000000e-03 -1.5227000000e-03  1.8509000000e-03 -2.7129000000e-03  2.0681000000e-03 -3.5983000000e-03 -1.4439000000e-03 -5.5250000000e-04
-
-JOB 84
-COORDS -5.1643520000e+00  1.5391900000e+00  1.7873140000e+00 -4.7547240000e+00  2.3754080000e+00  2.0090700000e+00 -6.1029840000e+00  1.6976280000e+00  1.8878070000e+00  5.1795990000e+00 -1.6447010000e+00 -1.7756190000e+00  4.6562890000e+00 -8.4631300000e-01 -1.7052270000e+00  5.8924550000e+00 -1.4127020000e+00 -2.3708030000e+00
-ENERGY -1.526540445572e+02
-FORCES -2.1779000000e-03  4.0275000000e-03  1.3409000000e-03 -1.6553000000e-03 -3.4011000000e-03 -9.2380000000e-04  3.8352000000e-03 -6.3370000000e-04 -4.1720000000e-04  7.0850000000e-04  4.1917000000e-03 -2.1349000000e-03  2.1805000000e-03 -3.2398000000e-03 -2.9370000000e-04 -2.8910000000e-03 -9.4460000000e-04  2.4287000000e-03
-
-JOB 85
-COORDS -3.6530570000e+00  3.8217050000e+00 -5.4914740000e+00 -4.4360220000e+00  3.9646050000e+00 -4.9597070000e+00 -3.7623110000e+00  2.9398600000e+00 -5.8473480000e+00  3.6947540000e+00 -3.8506790000e+00  5.4854080000e+00  4.4694980000e+00 -3.3422020000e+00  5.7251060000e+00  3.0746020000e+00 -3.2012690000e+00  5.1538800000e+00
-ENERGY -1.526540917222e+02
-FORCES -3.6528000000e-03 -3.0137000000e-03  6.9350000000e-04  3.2018000000e-03 -5.8280000000e-04 -2.1574000000e-03  4.5110000000e-04  3.5981000000e-03  1.4624000000e-03  6.4340000000e-04  4.7319000000e-03 -3.7960000000e-04 -3.1630000000e-03 -2.0778000000e-03 -9.7340000000e-04  2.5195000000e-03 -2.6557000000e-03  1.3547000000e-03
-
-JOB 86
-COORDS  8.4347710000e+00 -2.2580410000e+00  4.2213500000e-01  8.8604240000e+00 -2.2241010000e+00 -4.3454400000e-01  8.2217500000e+00 -3.1827370000e+00  5.4780400000e-01 -8.3945070000e+00  2.3492520000e+00 -4.0643100000e-01 -9.0272890000e+00  2.5149400000e+00  2.9240200000e-01 -8.5962700000e+00  1.4634240000e+00 -7.0781400000e-01
-ENERGY -1.526540601867e+02
-FORCES  8.5610000000e-04 -3.6231000000e-03 -2.9881000000e-03 -1.7308000000e-03 -1.4420000000e-04  3.4972000000e-03  8.7330000000e-04  3.7676000000e-03 -5.0980000000e-04 -3.3937000000e-03 -2.9349000000e-03  1.6304000000e-03  2.5762000000e-03 -6.7760000000e-04 -2.8549000000e-03  8.1880000000e-04  3.6122000000e-03  1.2251000000e-03
-
-JOB 87
-COORDS -4.1701600000e-01 -9.8023760000e+00  3.7486770000e+00 -5.5315900000e-01 -1.0012656000e+01  4.6725160000e+00 -3.1212100000e-01 -1.0652736000e+01  3.3219260000e+00  3.7913300000e-01  9.9012590000e+00 -3.7354600000e+00  1.3018740000e+00  9.6607100000e+00 -3.6522870000e+00  9.2179000000e-02  9.4760500000e+00 -4.5435980000e+00
-ENERGY -1.526540785948e+02
-FORCES -1.3200000000e-04 -4.3257000000e-03  2.0329000000e-03  5.5740000000e-04  8.5650000000e-04 -3.7703000000e-03 -4.2580000000e-04  3.4692000000e-03  1.7380000000e-03  2.5912000000e-03 -2.7302000000e-03 -2.9503000000e-03 -3.7618000000e-03  9.8870000000e-04 -3.4250000000e-04  1.1711000000e-03  1.7415000000e-03  3.2922000000e-03
-
-JOB 88
-COORDS -1.0180783000e+01  3.9816800000e+00 -2.6240900000e+00 -1.0902685000e+01  3.9299710000e+00 -3.2505210000e+00 -1.0481781000e+01  4.6038520000e+00 -1.9618710000e+00  1.0283735000e+01 -4.0701260000e+00  2.6343690000e+00  9.4102890000e+00 -4.0316340000e+00  2.2447000000e+00  1.0486510000e+01 -3.1620370000e+00  2.8590660000e+00
-ENERGY -1.526540859244e+02
-FORCES -4.1792000000e-03  2.3259000000e-03  1.4380000000e-04  2.9468000000e-03  2.1150000000e-04  2.5558000000e-03  1.2316000000e-03 -2.5375000000e-03 -2.6999000000e-03 -2.7433000000e-03  3.8619000000e-03 -6.7640000000e-04  3.5666000000e-03 -1.5790000000e-04  1.5910000000e-03 -8.2240000000e-04 -3.7040000000e-03 -9.1430000000e-04
-
-JOB 89
-COORDS -3.9610200000e-01  8.3712610000e+00 -7.6602900000e+00 -3.0527800000e-01  7.4758450000e+00 -7.9861930000e+00  4.2256000000e-01  8.8009980000e+00 -7.9079820000e+00  2.9421100000e-01 -8.3199340000e+00  7.6568290000e+00  4.1001800000e-01 -8.3177170000e+00  8.6069950000e+00  1.0737930000e+00 -8.7623800000e+00  7.3210820000e+00
-ENERGY -1.526540704926e+02
-FORCES  3.7070000000e-03 -1.9057000000e-03 -2.3344000000e-03 -3.6820000000e-04  3.6559000000e-03  1.3258000000e-03 -3.3386000000e-03 -1.7506000000e-03  1.0086000000e-03  3.6492000000e-03 -1.7932000000e-03  2.5093000000e-03 -4.7050000000e-04 -1.0700000000e-05 -3.8771000000e-03 -3.1789000000e-03  1.8043000000e-03  1.3678000000e-03
-
-JOB 0
-COORDS -1.4370400000e-01 -1.2012710000e+00  1.4439000000e-01  5.7353600000e-01 -1.8140540000e+00  3.0654500000e-01 -8.0602200000e-01 -1.4289590000e+00  7.9686600000e-01  1.9393900000e-01  1.2685730000e+00 -1.7850300000e-01 -5.0111800000e-01  1.8122970000e+00 -5.4930200000e-01 -2.0917500000e-01  4.0776700000e-01 -6.5607000000e-02
-ENERGY -1.526545319928e+02
-FORCES  7.6643000000e-03  1.5118900000e-02 -9.7880000000e-04 -5.4811000000e-03  8.1520000000e-04  4.8960000000e-04  3.6694000000e-03  3.5168000000e-03 -3.8112000000e-03 -1.0900000000e-03 -2.1225300000e-02  1.6651000000e-03  2.2710000000e-04 -5.1722000000e-03  1.7728000000e-03 -4.9897000000e-03  6.9466000000e-03  8.6250000000e-04
-
-JOB 1
-COORDS -1.6793300000e-01  1.1554910000e+00  6.4244900000e-01 -1.3451000000e-02  2.6248300000e-01  3.3438300000e-01 -7.9349500000e-01  1.5204250000e+00  1.6569000000e-02  1.7382600000e-01 -1.0934590000e+00 -5.3775300000e-01  1.0565610000e+00 -1.2955260000e+00 -8.4788000000e-01 -4.0468100000e-01 -1.4460060000e+00 -1.2139720000e+00
-ENERGY -1.526560460885e+02
-FORCES  1.1301000000e-03 -1.9480800000e-02 -1.2710600000e-02  1.4279000000e-03  4.3343000000e-03  4.0716000000e-03  9.8380000000e-04 -1.2087000000e-03  1.0903000000e-03 -2.4314000000e-03  1.4155900000e-02  4.5779000000e-03 -5.5054000000e-03  5.9380000000e-04  7.1870000000e-04  4.3950000000e-03  1.6054000000e-03  2.2522000000e-03
-
-JOB 2
-COORDS  6.0418300000e-01 -1.1831760000e+00  2.1513700000e-01  2.1065000000e-02 -4.2493700000e-01  2.5089800000e-01  9.8542600000e-01 -1.1515600000e+00 -6.6229500000e-01 -5.8602000000e-01  1.1323210000e+00 -1.1065500000e-01 -1.3725920000e+00  9.6860700000e-01 -6.3097600000e-01  5.0153000000e-02  1.4746800000e+00 -7.3859200000e-01
-ENERGY -1.526559317854e+02
-FORCES -9.1836000000e-03  1.9057500000e-02 -3.6384000000e-03  2.2751000000e-03 -8.5666000000e-03 -3.8280000000e-04 -1.0688000000e-03  1.1623000000e-03  1.7408000000e-03  5.7375000000e-03 -6.6901000000e-03 -2.8272000000e-03  6.0155000000e-03 -1.2203000000e-03  2.6432000000e-03 -3.7757000000e-03 -3.7428000000e-03  2.4644000000e-03
-
-JOB 3
-COORDS -7.3873400000e-01  5.1012000000e-02 -9.9796000000e-01 -1.5801450000e+00 -1.6115500000e-01 -5.9392500000e-01 -9.5698800000e-01  2.7783400000e-01 -1.9019230000e+00  7.8829700000e-01 -8.4337000000e-02  1.0841940000e+00  1.5333620000e+00  4.8303200000e-01  8.8619600000e-01  2.7387700000e-01 -9.5354000000e-02  2.7705000000e-01
-ENERGY -1.526567533087e+02
-FORCES  7.7903000000e-03  1.8670000000e-04  8.5480000000e-03  5.6084000000e-03  1.0550000000e-03 -2.5957000000e-03 -1.4623000000e-03 -1.0440000000e-03  4.8528000000e-03 -7.5778000000e-03  3.3076000000e-03 -1.7122900000e-02 -1.7506000000e-03 -1.3589000000e-03 -1.4850000000e-04 -2.6080000000e-03 -2.1464000000e-03  6.4664000000e-03
-
-JOB 4
-COORDS -1.1244950000e+00  2.6685000000e-01 -5.6870900000e-01 -6.7423000000e-01  4.1141800000e-01 -1.4009310000e+00 -1.8142840000e+00  9.3024900000e-01 -5.5064500000e-01  1.1708090000e+00 -2.9003200000e-01  6.7913900000e-01  3.2696000000e-01 -4.3813000000e-02  3.0029000000e-01  1.5065220000e+00 -9.7042100000e-01  9.5529000000e-02
-ENERGY -1.526580268557e+02
-FORCES  4.2817000000e-03  2.2427000000e-03  2.5716000000e-03 -6.4630000000e-04 -1.4082000000e-03  6.5087000000e-03  3.5990000000e-03 -3.3595000000e-03 -1.9780000000e-03 -1.4713200000e-02  1.3173000000e-03 -5.8724000000e-03  9.3944000000e-03 -1.7430000000e-03 -1.3172000000e-03 -1.9156000000e-03  2.9508000000e-03  8.7300000000e-05
-
-JOB 5
-COORDS -4.5820400000e-01  3.1818800000e-01  1.2595020000e+00 -6.0688700000e-01  1.2617840000e+00  1.1982420000e+00  1.6465200000e-01  1.2735300000e-01  5.5817100000e-01  4.3153700000e-01 -3.0890800000e-01 -1.1653880000e+00 -2.7789900000e-01 -9.3926100000e-01 -1.2902410000e+00  1.1085130000e+00 -5.8392600000e-01 -1.7836920000e+00
-ENERGY -1.526600548625e+02
-FORCES  6.5530000000e-03  4.2020000000e-04 -1.3065200000e-02  4.9510000000e-04 -2.6085000000e-03 -1.5300000000e-05 -4.3172000000e-03  5.0500000000e-05  6.7589000000e-03 -3.6122000000e-03 -1.3145000000e-03  3.9707000000e-03  5.3251000000e-03  2.7331000000e-03 -1.9880000000e-04 -4.4439000000e-03  7.1920000000e-04  2.5497000000e-03
-
-JOB 6
-COORDS -5.6473400000e-01  9.5373700000e-01 -7.8760700000e-01 -2.3971000000e-02  4.9488300000e-01 -1.4475400000e-01  1.0252000000e-02  1.6298860000e+00 -1.1459980000e+00  5.1077400000e-01 -9.2409000000e-01  7.0990100000e-01  6.9580300000e-01 -6.8163400000e-01  1.6172100000e+00  2.1045300000e-01 -1.8315500000e+00  7.6045800000e-01
-ENERGY -1.526578401329e+02
-FORCES  6.8316000000e-03 -1.1362700000e-02  7.3674000000e-03 -1.0422000000e-03  9.2915000000e-03 -1.5198000000e-03 -2.4360000000e-04 -3.2336000000e-03  2.7650000000e-03 -6.7788000000e-03  1.4406000000e-03 -5.1968000000e-03 -1.6130000000e-03  9.7900000000e-05 -5.6408000000e-03  2.8459000000e-03  3.7663000000e-03  2.2250000000e-03
-
-JOB 7
-COORDS  4.7107600000e-01  1.1583600000e+00 -3.1927100000e-01  1.0189910000e+00  1.9324490000e+00 -1.8962700000e-01 -3.0156900000e-01  1.4856370000e+00 -7.7986000000e-01 -5.0966400000e-01 -1.2122190000e+00  3.6635300000e-01 -1.1435000000e-01 -2.0450300000e+00  1.0870200000e-01  1.0743100000e-01 -5.4829700000e-01  5.8726000000e-02
-ENERGY -1.526599116775e+02
-FORCES -3.4310000000e-03 -3.1105000000e-03  2.2382000000e-03 -3.8168000000e-03 -2.2515000000e-03 -1.5189000000e-03  5.0767000000e-03 -5.7640000000e-04  2.0003000000e-03  6.7306000000e-03  9.6104000000e-03 -2.4511000000e-03  1.8810000000e-04  3.9287000000e-03  2.5240000000e-04 -4.7477000000e-03 -7.6008000000e-03 -5.2080000000e-04
-
-JOB 8
-COORDS  6.8490100000e-01 -2.8428300000e-01 -1.1850000000e+00  9.0005500000e-01  6.2757800000e-01 -1.3810860000e+00  2.8529800000e-01 -2.5498000000e-01 -3.1569500000e-01 -6.4831400000e-01  2.2847300000e-01  1.0857980000e+00 -2.1753000000e-01  7.1644000000e-02  1.9260730000e+00 -1.5711000000e+00  3.5144700000e-01  1.3084530000e+00
-ENERGY -1.526594251292e+02
-FORCES -8.3048000000e-03  5.8238000000e-03  1.2440000000e-02 -3.1920000000e-04 -2.2369000000e-03  2.0520000000e-04  6.1625000000e-03 -2.6116000000e-03 -4.0155000000e-03 -1.3800000000e-05 -1.6699000000e-03 -5.0854000000e-03 -2.5973000000e-03  7.0940000000e-04 -4.7808000000e-03  5.0725000000e-03 -1.4800000000e-05  1.2364000000e-03
-
-JOB 9
-COORDS -1.1267640000e+00 -6.2945900000e-01 -5.6865000000e-02 -1.0221540000e+00 -1.5794870000e+00 -1.0917100000e-01 -2.0562220000e+00 -4.8044800000e-01 -2.3046400000e-01  1.1777110000e+00  7.3530000000e-01  5.7512000000e-02  1.9043480000e+00  1.2209100000e-01  1.6799000000e-01  3.9243800000e-01  1.9966500000e-01  1.7008700000e-01
-ENERGY -1.526583397684e+02
-FORCES  3.2744000000e-03  4.2037000000e-03 -1.3504000000e-03 -2.2610000000e-04  5.0446000000e-03  4.5380000000e-04  3.8711000000e-03 -3.2279000000e-03  4.8020000000e-04 -1.1853600000e-02 -7.3597000000e-03 -4.9970000000e-04 -3.5894000000e-03  2.5270000000e-04 -4.8480000000e-04  8.5236000000e-03  1.0867000000e-03  1.4009000000e-03
-
-JOB 10
-COORDS -1.4788100000e-01 -1.0233290000e+00  8.1782700000e-01 -3.4701100000e-01 -1.8425210000e+00  3.6450100000e-01 -9.0564500000e-01 -8.7120700000e-01  1.3825250000e+00  1.3886100000e-01  1.0723690000e+00 -8.3404100000e-01  9.2288700000e-01  1.5842080000e+00 -1.0329260000e+00  4.6768300000e-01  2.9589400000e-01 -3.8105800000e-01
-ENERGY -1.526592244559e+02
-FORCES -5.6257000000e-03  5.0228000000e-03 -2.1253000000e-03  1.0813000000e-03  4.4527000000e-03  1.6599000000e-03  3.2350000000e-03 -3.1050000000e-03 -1.8763000000e-03  7.8000000000e-05 -8.8366000000e-03  7.6188000000e-03 -1.9753000000e-03 -3.5142000000e-03  2.1734000000e-03  3.2066000000e-03  5.9804000000e-03 -7.4505000000e-03
-
-JOB 11
-COORDS -2.5303000000e-02 -6.9791400000e-01  1.2065840000e+00  1.0796100000e-01 -4.3652000000e-02  5.2071700000e-01  7.9538500000e-01 -6.9973800000e-01  1.6992310000e+00 -1.1127000000e-02  6.3777300000e-01 -1.1305540000e+00 -7.9710000000e-01  3.5755300000e-01 -1.5995470000e+00  4.2277400000e-01  1.2444990000e+00 -1.7304250000e+00
-ENERGY -1.526600905319e+02
-FORCES  2.8082000000e-03  6.9198000000e-03 -1.0437000000e-02 -1.1856000000e-03 -4.2408000000e-03  7.5665000000e-03 -1.8423000000e-03  1.0131000000e-03 -2.4136000000e-03 -1.4032000000e-03 -3.1989000000e-03  2.6590000000e-03  4.4354000000e-03  2.8096000000e-03  1.0181000000e-03 -2.8125000000e-03 -3.3028000000e-03  1.6069000000e-03
-
-JOB 12
-COORDS  1.0043780000e+00 -4.7181200000e-01 -7.6310800000e-01  8.8609500000e-01 -1.4200050000e+00 -7.0680100000e-01  1.7529750000e+00 -2.8920700000e-01 -1.9522600000e-01 -1.0324480000e+00  5.4822400000e-01  7.8846300000e-01 -1.8298450000e+00  3.3164200000e-01  3.0526300000e-01 -3.2242500000e-01  2.0486200000e-01  2.4606000000e-01
-ENERGY -1.526603933804e+02
-FORCES  9.9170000000e-04 -1.9579000000e-03  3.3126000000e-03 -3.1910000000e-04  5.7929000000e-03  5.3870000000e-04 -5.8786000000e-03 -1.1390000000e-03 -2.2030000000e-03  8.9259000000e-03 -5.0012000000e-03 -1.1307100000e-02  2.6741000000e-03 -3.7590000000e-04  1.0650000000e-03 -6.3940000000e-03  2.6811000000e-03  8.5937000000e-03
-
-JOB 13
-COORDS -7.6514200000e-01 -5.0830200000e-01 -1.0544390000e+00 -1.0508310000e+00 -1.4089090000e+00 -9.0107800000e-01 -1.8722300000e-01 -3.1104100000e-01 -3.1733000000e-01  7.7601300000e-01  5.5367700000e-01  9.4484100000e-01  8.1780200000e-01 -2.5861100000e-01  1.4494940000e+00  2.8734700000e-01  1.1582930000e+00  1.5033000000e+00
-ENERGY -1.526575067666e+02
-FORCES  7.6768000000e-03  5.2020000000e-03  9.1706000000e-03  2.3906000000e-03  3.3934000000e-03  1.9369000000e-03 -5.3792000000e-03 -9.1292000000e-03 -4.0948000000e-03 -4.2888000000e-03  1.5118000000e-03  1.6729000000e-03 -3.5667000000e-03  2.9460000000e-03 -6.6389000000e-03  3.1673000000e-03 -3.9240000000e-03 -2.0466000000e-03
-
-JOB 14
-COORDS -1.0341400000e-01  8.9830300000e-01 -9.6932300000e-01 -8.8613100000e-01  1.4436540000e+00 -8.9071700000e-01 -6.7842000000e-02  6.6172100000e-01 -1.8961430000e+00  1.4043100000e-01 -9.8305800000e-01  1.0482380000e+00  5.6110000000e-03 -7.6123800000e-01  1.2690700000e-01  3.3690500000e-01 -1.4664700000e-01  1.4701930000e+00
-ENERGY -1.526583115347e+02
-FORCES -2.7322000000e-03  4.4040000000e-04  6.4630000000e-04  4.3236000000e-03 -2.5626000000e-03 -5.9480000000e-04 -9.0920000000e-04 -4.0860000000e-04  5.6508000000e-03  2.2740000000e-04  1.2585100000e-02 -9.2698000000e-03  2.5300000000e-05 -7.3845000000e-03  1.7736000000e-03 -9.3500000000e-04 -2.6699000000e-03  1.7940000000e-03
-
-JOB 15
-COORDS -5.0539200000e-01 -1.2274540000e+00 -1.2391600000e-01 -1.4430060000e+00 -1.1660820000e+00 -3.0652600000e-01 -2.0659400000e-01 -1.9695260000e+00 -6.4954100000e-01  5.8379000000e-01  1.3165640000e+00  1.4677100000e-01  8.3246100000e-01  3.9400300000e-01  2.0400700000e-01 -3.4744500000e-01  1.3282720000e+00  3.6789900000e-01
-ENERGY -1.526563612117e+02
-FORCES -1.8944000000e-03  2.5520000000e-03 -3.2836000000e-03  4.1577000000e-03 -1.3160000000e-04  1.1264000000e-03 -9.7010000000e-04  3.9509000000e-03  2.4426000000e-03 -7.3647000000e-03 -1.2942500000e-02 -4.0450000000e-04  5.1443000000e-03  3.9878000000e-03  5.4840000000e-04  9.2720000000e-04  2.5834000000e-03 -4.2940000000e-04
-
-JOB 16
-COORDS -3.3523800000e-01  1.0176230000e+00 -8.2209500000e-01  4.3861400000e-01  1.1576590000e+00 -1.3677820000e+00 -5.0663400000e-01  1.8715600000e+00 -4.2504900000e-01  3.5977600000e-01 -1.0669750000e+00  8.5839400000e-01  3.1471000000e-02 -5.6949600000e-01  1.0942000000e-01 -3.3944800000e-01 -1.6893920000e+00  1.0581820000e+00
-ENERGY -1.526603471371e+02
-FORCES  2.7722000000e-03  2.3775000000e-03  4.9943000000e-03 -3.8032000000e-03 -1.3585000000e-03  3.4997000000e-03  1.0883000000e-03 -2.8630000000e-03 -3.5955000000e-03 -5.4803000000e-03  7.8924000000e-03 -6.9374000000e-03  4.0015000000e-03 -8.9685000000e-03  3.2492000000e-03  1.4216000000e-03  2.9201000000e-03 -1.2102000000e-03
-
-JOB 17
-COORDS -5.9536000000e-02  1.2728550000e+00 -4.1447900000e-01 -6.5710000000e-02  1.7627570000e+00  4.0782800000e-01 -4.5477500000e-01  1.8680990000e+00 -1.0514270000e+00  4.7708000000e-02 -1.3272850000e+00  4.6490700000e-01  1.6964000000e-01 -6.3065000000e-01 -1.8012300000e-01  4.6992400000e-01 -2.0924700000e+00  7.4450000000e-02
-ENERGY -1.526605511964e+02
-FORCES -2.0390000000e-03  5.6600000000e-05  3.7899000000e-03 -2.5870000000e-04 -4.1370000000e-04 -5.0538000000e-03  1.7151000000e-03 -1.9351000000e-03  3.4650000000e-03  3.6950000000e-04  7.7105000000e-03 -4.9358000000e-03  1.5529000000e-03 -9.1922000000e-03  2.8362000000e-03 -1.3399000000e-03  3.7739000000e-03 -1.0150000000e-04
-
-JOB 18
-COORDS  1.4352000000e-01 -1.3996830000e+00 -2.6107100000e-01  3.4558200000e-01 -4.6422300000e-01 -2.7887000000e-01 -5.2736900000e-01 -1.5131430000e+00 -9.3432200000e-01 -1.1676400000e-01  1.2922150000e+00  3.2496400000e-01  6.2683500000e-01  1.7874810000e+00 -1.8555000000e-02 -8.6458300000e-01  1.8811060000e+00  2.2394100000e-01
-ENERGY -1.526568652524e+02
-FORCES -4.6050000000e-03  1.2672000000e-02  1.0582000000e-03  5.7622000000e-03 -5.6796000000e-03 -3.3080000000e-03  1.7396000000e-03  1.1470000000e-04  1.9389000000e-03 -3.3115000000e-03  2.6520000000e-04 -4.2850000000e-04 -3.9223000000e-03 -5.4536000000e-03  3.6290000000e-04  4.3370000000e-03 -1.9187000000e-03  3.7640000000e-04
-
-JOB 19
-COORDS -6.5978900000e-01  4.2797400000e-01  1.0922430000e+00 -2.5902600000e-01 -2.4840100000e-01  1.6382630000e+00 -1.5422520000e+00  5.3203400000e-01  1.4481410000e+00  6.7291300000e-01 -3.9444600000e-01 -1.2197500000e+00  1.4548680000e+00 -7.3019700000e-01 -7.8151500000e-01  1.3491300000e-01 -3.9539000000e-02 -5.1205800000e-01
-ENERGY -1.526593653954e+02
-FORCES -2.0034000000e-03 -2.5822000000e-03  1.8600000000e-04 -1.3886000000e-03  3.2268000000e-03 -4.3709000000e-03  4.8039000000e-03 -1.0970000000e-03 -2.1370000000e-04 -4.6818000000e-03  4.4800000000e-03  1.0068600000e-02 -3.0223000000e-03  6.1850000000e-04 -4.3000000000e-06  6.2923000000e-03 -4.6460000000e-03 -5.6658000000e-03
-
-JOB 20
-COORDS  3.4560000000e-01  1.2964770000e+00  1.1164000000e-01  5.9325400000e-01  1.4886540000e+00  1.0160560000e+00  7.6520800000e-01  1.9854200000e+00 -4.0364500000e-01 -3.6030500000e-01 -1.4025550000e+00 -1.6415400000e-01 -3.3710400000e-01 -5.1803900000e-01 -5.2929200000e-01 -8.2768900000e-01 -1.3074110000e+00  6.6574500000e-01
-ENERGY -1.526579352277e+02
-FORCES  2.7929000000e-03 -1.5302000000e-03  3.0900000000e-03 -1.3915000000e-03  4.1960000000e-04 -4.1246000000e-03 -1.7017000000e-03 -3.5829000000e-03  2.5240000000e-03  1.1985000000e-03  1.2376500000e-02  2.9542000000e-03 -2.4651000000e-03 -6.4340000000e-03 -2.9143000000e-03  1.5669000000e-03 -1.2490000000e-03 -1.5293000000e-03
-
-JOB 21
-COORDS -6.5545600000e-01  1.3064980000e+00 -1.4043300000e-01 -2.7370600000e-01  4.8690400000e-01  1.7383600000e-01 -3.3370400000e-01  1.3925440000e+00 -1.0378210000e+00  5.6152700000e-01 -1.2483450000e+00  1.3241100000e-01  6.4196600000e-01 -2.0422730000e+00  6.6103200000e-01  1.3158090000e+00 -7.1528200000e-01  3.8367600000e-01
-ENERGY -1.526580030355e+02
-FORCES  2.0536000000e-03 -1.0744100000e-02 -2.5157000000e-03  3.4358000000e-03  8.5274000000e-03  8.6480000000e-04 -1.9090000000e-04  4.2580000000e-04  3.1427000000e-03  1.5909000000e-03 -2.1970000000e-03  2.6126000000e-03  8.6690000000e-04  3.9997000000e-03 -2.7990000000e-03 -7.7563000000e-03 -1.1800000000e-05 -1.3054000000e-03
-
-JOB 22
-COORDS  1.1836410000e+00  5.0327600000e-01  6.7687400000e-01  3.7314700000e-01  2.8282000000e-02  4.9326400000e-01  9.3847000000e-01  1.1491150000e+00  1.3394550000e+00 -1.1136120000e+00 -4.4583100000e-01 -7.0171600000e-01 -8.5684500000e-01 -1.0296150000e+00 -1.4155080000e+00 -1.4747510000e+00 -1.0282660000e+00 -3.3450000000e-02
-ENERGY -1.526579662274e+02
-FORCES -1.0060600000e-02 -7.1150000000e-04 -4.7803000000e-03  6.0748000000e-03 -5.1040000000e-04  8.0922000000e-03 -1.1400000000e-04 -2.6796000000e-03 -2.1229000000e-03  4.9520000000e-04 -3.2044000000e-03 -3.9419000000e-03 -1.9834000000e-03  2.4486000000e-03  4.2164000000e-03  5.5879000000e-03  4.6573000000e-03 -1.4635000000e-03
-
-JOB 23
-COORDS -1.2717340000e+00 -2.4636500000e-01 -5.2003000000e-01 -1.5692180000e+00  3.2631100000e-01 -1.2269790000e+00 -1.2808810000e+00 -1.1239430000e+00 -9.0213800000e-01  1.2702760000e+00  3.2088200000e-01  6.2299300000e-01  2.1374150000e+00 -7.6015000000e-02  5.4068600000e-01  7.0918500000e-01 -2.0872900000e-01  5.6494000000e-02
-ENERGY -1.526575206585e+02
-FORCES -3.3036000000e-03  2.1145000000e-03 -3.3791000000e-03  1.0412000000e-03 -3.6719000000e-03  3.1112000000e-03  3.3780000000e-03  4.8562000000e-03  2.3755000000e-03 -6.1776000000e-03 -2.5980000000e-03 -3.6150000000e-03 -4.4336000000e-03  4.7260000000e-04 -8.1640000000e-04  9.4956000000e-03 -1.1733000000e-03  2.3239000000e-03
-
-JOB 24
-COORDS -8.3753300000e-01 -1.1925460000e+00  2.8737600000e-01 -3.0854700000e-01 -3.9580200000e-01  2.4731100000e-01 -1.6455510000e+00 -9.2245100000e-01  7.2371100000e-01  7.9858700000e-01  1.1498170000e+00 -2.7012700000e-01  1.0485270000e+00  1.4679160000e+00 -1.1376370000e+00  1.4310380000e+00  4.5780200000e-01 -7.6859000000e-02
-ENERGY -1.526588154676e+02
-FORCES  3.2410000000e-04  9.8576000000e-03 -8.5270000000e-04  2.0842000000e-03 -8.8778000000e-03  3.5987000000e-03  2.4877000000e-03 -8.6580000000e-04 -1.5133000000e-03  3.0247000000e-03 -5.4580000000e-04 -5.4691000000e-03  1.4700000000e-04 -1.0526000000e-03  4.5587000000e-03 -8.0677000000e-03  1.4844000000e-03 -3.2240000000e-04
-
-JOB 25
-COORDS  8.8870300000e-01 -6.9436000000e-01 -1.0058670000e+00 -2.0755000000e-02 -6.3561000000e-01 -7.1317600000e-01  1.3762820000e+00 -1.5403200000e-01 -3.8414000000e-01 -8.0183100000e-01  6.4874500000e-01  9.4608800000e-01 -1.3650340000e+00  2.0191400000e-01  1.5780490000e+00 -1.3714680000e+00  1.2985430000e+00  5.3437500000e-01
-ENERGY -1.526591203450e+02
-FORCES -5.2027000000e-03  6.1088000000e-03  9.6753000000e-03  1.4685000000e-03 -3.5494000000e-03 -5.5260000000e-03  1.7371000000e-03 -2.1002000000e-03 -3.4376000000e-03 -3.1648000000e-03  1.8588000000e-03  1.6950000000e-03  2.5063000000e-03  1.8632000000e-03 -3.9755000000e-03  2.6556000000e-03 -4.1813000000e-03  1.5688000000e-03
-
-JOB 26
-COORDS  9.5888100000e-01 -8.5913000000e-01  6.9900900000e-01  1.1543650000e+00 -6.2851700000e-01 -2.0919500000e-01  6.2326000000e-01 -1.7543490000e+00  6.5238700000e-01 -9.0576500000e-01  8.9395300000e-01 -7.0282100000e-01 -8.0354600000e-01  4.8044500000e-01  1.5438100000e-01 -1.8102960000e+00  1.2069580000e+00 -7.1195000000e-01
-ENERGY -1.526603218970e+02
-FORCES  1.6614000000e-03 -2.7359000000e-03 -6.3379000000e-03 -9.8290000000e-04 -1.8350000000e-03  5.7820000000e-03  4.6460000000e-04  4.4032000000e-03  3.9310000000e-04 -2.8860000000e-04 -1.3753000000e-03  5.3931000000e-03 -4.1963000000e-03  3.6552000000e-03 -6.5357000000e-03  3.3417000000e-03 -2.1122000000e-03  1.3053000000e-03
-
-JOB 27
-COORDS  3.2338800000e-01 -1.1051700000e-01 -1.3737340000e+00 -5.9557800000e-01  1.5652200000e-01 -1.3531490000e+00  4.9891200000e-01 -2.9560100000e-01 -2.2963210000e+00 -3.5055100000e-01  9.0978000000e-02  1.4461060000e+00  2.7498600000e-01  6.3034000000e-01  1.9298660000e+00  1.2142100000e-01 -1.7431500000e-01  6.5674300000e-01
-ENERGY -1.526607748118e+02
-FORCES -2.3991000000e-03  1.5660000000e-04 -3.5783000000e-03  5.7100000000e-03 -2.4725000000e-03  2.0380000000e-04 -2.0922000000e-03  1.7967000000e-03  3.3547000000e-03  6.5588000000e-03  1.3790000000e-04 -4.3471000000e-03 -1.9898000000e-03 -1.8786000000e-03 -1.5116000000e-03 -5.7877000000e-03  2.2599000000e-03  5.8786000000e-03
-
-JOB 28
-COORDS  1.2708320000e+00  8.1150000000e-02  8.0212200000e-01  5.0237900000e-01 -7.9794000000e-02  2.5457400000e-01  9.4817900000e-01 -3.3780000000e-03  1.6993290000e+00 -1.1382800000e+00 -7.7295000000e-02 -8.1418800000e-01 -1.6478140000e+00  6.9165800000e-01 -5.5861600000e-01 -1.7586750000e+00 -6.2865300000e-01 -1.2909980000e+00
-ENERGY -1.526611174849e+02
-FORCES -8.3537000000e-03 -2.5273000000e-03 -3.2107000000e-03  7.2048000000e-03  2.5170000000e-03  6.0305000000e-03  5.3310000000e-04  7.1090000000e-04 -2.8058000000e-03 -3.0240000000e-03  4.6600000000e-05 -1.4049000000e-03  2.1168000000e-03 -4.5331000000e-03 -8.1340000000e-04  1.5230000000e-03  3.7859000000e-03  2.2042000000e-03
-
-JOB 29
-COORDS  4.3740000000e-01  8.9439700000e-01  1.1438630000e+00  3.0709200000e-01  4.9527800000e-01  2.8365600000e-01 -4.4708300000e-01  1.0836160000e+00  1.4571010000e+00 -3.6648000000e-01 -8.2807900000e-01 -1.1505890000e+00 -1.2024090000e+00 -1.1088410000e+00 -7.7826400000e-01  2.6526000000e-01 -1.4753840000e+00 -8.3732800000e-01
-ENERGY -1.526598625342e+02
-FORCES -5.6504000000e-03 -2.8316000000e-03 -8.0351000000e-03  3.8589000000e-03  2.8342000000e-03  8.6208000000e-03  2.5523000000e-03 -1.2074000000e-03 -7.1560000000e-04 -1.9717000000e-03 -6.2995000000e-03  1.8079000000e-03  4.4025000000e-03  2.3079000000e-03 -1.0357000000e-03 -3.1917000000e-03  5.1964000000e-03 -6.4220000000e-04
-
-JOB 30
-COORDS -4.2171300000e-01 -8.9743400000e-01  1.0138730000e+00 -4.5820000000e-03 -1.0404800000e+00  1.8634440000e+00 -1.2717410000e+00 -1.3312790000e+00  1.0877900000e+00  4.6253900000e-01  9.3874700000e-01 -1.1337340000e+00  3.6735700000e-01  9.0507000000e-02 -7.0053500000e-01  2.7904700000e-01  1.5805260000e+00 -4.4767100000e-01
-ENERGY -1.526603343970e+02
-FORCES -1.9456000000e-03 -1.9151000000e-03  2.9519000000e-03 -2.6826000000e-03  8.1060000000e-04 -3.6478000000e-03  4.1998000000e-03  1.8295000000e-03  6.0950000000e-04 -3.5711000000e-03 -4.3399000000e-03  9.2217000000e-03  2.7596000000e-03  3.6672000000e-03 -6.2950000000e-03  1.2398000000e-03 -5.2300000000e-05 -2.8404000000e-03
-
-JOB 31
-COORDS -5.6735900000e-01  1.3279760000e+00  5.5452000000e-01 -1.1556840000e+00  7.0099100000e-01  9.7522900000e-01 -1.8442900000e-01  8.4405200000e-01 -1.7720000000e-01  5.1386000000e-01 -1.2590070000e+00 -5.4265500000e-01  1.1535720000e+00 -8.1617800000e-01 -1.1002430000e+00  1.0420030000e+00 -1.7205160000e+00  1.0873200000e-01
-ENERGY -1.526572922143e+02
-FORCES  1.0840000000e-04 -1.1133000000e-02 -2.4184000000e-03  8.2150000000e-04  3.6236000000e-03  4.6430000000e-04  7.7470000000e-04  6.5898000000e-03 -6.6070000000e-04  5.5185000000e-03 -1.1171000000e-03  2.5327000000e-03 -4.7968000000e-03  4.7080000000e-04  3.5677000000e-03 -2.4264000000e-03  1.5659000000e-03 -3.4856000000e-03
-
-JOB 32
-COORDS  8.0342200000e-01 -1.0459340000e+00 -6.6837000000e-01  1.3599870000e+00 -1.7050270000e+00 -2.5356500000e-01 -8.9442000000e-02 -1.3554320000e+00 -5.1593100000e-01 -8.0235500000e-01  1.1483940000e+00  6.6366300000e-01 -1.1702220000e+00  7.4672700000e-01 -1.2346300000e-01 -3.0903000000e-02  6.1879900000e-01  8.6521300000e-01
-ENERGY -1.526556520708e+02
-FORCES -9.9510000000e-04 -5.3397000000e-03  3.9570000000e-04 -2.9175000000e-03  3.8627000000e-03 -1.1408000000e-03  3.4407000000e-03  4.4215000000e-03  7.5900000000e-05  6.2689000000e-03 -4.6945000000e-03 -5.7396000000e-03 -8.2300000000e-04 -5.0650000000e-04  3.1415000000e-03 -4.9739000000e-03  2.2565000000e-03  3.2672000000e-03
-
-JOB 33
-COORDS -7.6458900000e-01  5.4891800000e-01  1.2343490000e+00 -1.0027500000e-01  6.5725800000e-01  5.5377500000e-01 -1.5017360000e+00  1.3406600000e-01  7.8630500000e-01  7.8476700000e-01 -5.0412400000e-01 -1.1062770000e+00  1.1006600000e+00 -2.2332900000e-01 -1.9651120000e+00  2.2472700000e-01 -1.2580210000e+00 -1.2912790000e+00
-ENERGY -1.526589201571e+02
-FORCES  3.1844000000e-03 -2.8403000000e-03 -8.6378000000e-03 -4.1627000000e-03  3.2266000000e-03  6.1965000000e-03  1.5135000000e-03  5.7470000000e-04  1.8953000000e-03 -5.7570000000e-04 -3.6936000000e-03 -3.8050000000e-03 -1.9374000000e-03 -1.4283000000e-03  4.0823000000e-03  1.9780000000e-03  4.1608000000e-03  2.6870000000e-04
-
-JOB 34
-COORDS -1.2385810000e+00 -5.8255700000e-01 -7.3268000000e-01 -6.5266400000e-01 -9.7307000000e-02 -1.3135970000e+00 -6.7086600000e-01 -9.0161900000e-01 -3.1160000000e-02  1.1812690000e+00  5.4006000000e-01  6.7074600000e-01  1.2933560000e+00  1.4744950000e+00  8.4538800000e-01  9.5445900000e-01  1.6259200000e-01  1.5206330000e+00
-ENERGY -1.526561505205e+02
-FORCES  1.0212700000e-02  4.1725000000e-03  2.2606000000e-03 -4.2265000000e-03 -1.7329000000e-03 -9.9570000000e-04 -3.8131000000e-03 -2.2425000000e-03  4.2580000000e-04 -1.9745000000e-03  3.7250000000e-03  4.0297000000e-03 -6.2700000000e-05 -4.1531000000e-03 -7.7320000000e-04 -1.3580000000e-04  2.3100000000e-04 -4.9473000000e-03
-
-JOB 35
-COORDS -4.7732100000e-01 -3.7995500000e-01  1.4179820000e+00 -1.2469900000e-01 -1.9170600000e-01  5.4824000000e-01  2.4100300000e-01 -1.7712800000e-01  2.0172340000e+00  3.8462800000e-01  3.5025400000e-01 -1.3433020000e+00  4.0767900000e-01 -2.6687400000e-01 -2.0746390000e+00  9.1779800000e-01  1.0893430000e+00 -1.6360630000e+00
-ENERGY -1.526613787178e+02
-FORCES  4.7754000000e-03  2.8018000000e-03 -6.4898000000e-03 -2.6700000000e-03 -3.0991000000e-03  9.2694000000e-03 -2.0505000000e-03 -3.0610000000e-04 -2.0591000000e-03  1.5123000000e-03  8.9990000000e-04 -4.1040000000e-03  5.0380000000e-04  3.6253000000e-03  2.9195000000e-03 -2.0710000000e-03 -3.9219000000e-03  4.6400000000e-04
-
-JOB 36
-COORDS  1.0107740000e+00 -9.0546000000e-01 -7.6403100000e-01  2.9101800000e-01 -1.5339190000e+00 -7.0726200000e-01  5.8071300000e-01 -5.1541000000e-02 -8.0987400000e-01 -8.9099700000e-01  9.2638500000e-01  7.4001900000e-01 -1.0542260000e+00  5.9418800000e-01  1.6227610000e+00 -1.6547240000e+00  6.4885100000e-01  2.3412500000e-01
-ENERGY -1.526559915913e+02
-FORCES -7.0097000000e-03  4.6628000000e-03  4.3874000000e-03  2.1602000000e-03  1.3440000000e-03 -6.0540000000e-04  2.5059000000e-03 -4.3948000000e-03 -4.9431000000e-03 -2.3498000000e-03 -3.1830000000e-03  4.3926000000e-03 -5.6570000000e-04  1.6913000000e-03 -4.0719000000e-03  5.2591000000e-03 -1.2030000000e-04  8.4050000000e-04
-
-JOB 37
-COORDS -3.2445500000e-01 -6.3145000000e-02  1.5609100000e+00 -5.1669100000e-01 -4.2158100000e-01  6.9442300000e-01  1.8528700000e-01  7.2786800000e-01  1.3857160000e+00  2.5222800000e-01 -2.0355000000e-02 -1.4921350000e+00  1.1856200000e+00 -7.7185000000e-02 -1.2877290000e+00  1.0718600000e-01  9.0338700000e-01 -1.6968190000e+00
-ENERGY -1.526583145459e+02
-FORCES  1.1150000000e-03  1.5208000000e-03 -9.0209000000e-03 -4.6310000000e-04 -7.3600000000e-05  7.6446000000e-03 -7.5160000000e-04 -1.8010000000e-03  1.3802000000e-03  4.1138000000e-03  3.6198000000e-03 -2.2633000000e-03 -5.0649000000e-03  9.8360000000e-04  6.9200000000e-05  1.0508000000e-03 -4.2495000000e-03  2.1902000000e-03
-
-JOB 38
-COORDS -2.7899200000e-01 -1.1990520000e+00  8.2703500000e-01  2.9874100000e-01 -1.9612480000e+00  8.6593900000e-01 -1.0904950000e+00 -1.5323180000e+00  4.4411300000e-01  2.5734500000e-01  1.3093170000e+00 -8.4608600000e-01 -1.0082000000e-01  6.0043900000e-01 -3.1181800000e-01  1.2057990000e+00  1.2321790000e+00 -7.4256900000e-01
-ENERGY -1.526601664299e+02
-FORCES  2.5550000000e-04 -6.0907000000e-03 -5.6720000000e-04 -3.1832000000e-03  3.0476000000e-03  1.0900000000e-05  4.5198000000e-03  2.7000000000e-03  1.1653000000e-03  2.3165000000e-03 -7.3121000000e-03  6.1960000000e-03 -1.5112000000e-03  6.7590000000e-03 -5.7199000000e-03 -2.3973000000e-03  8.9630000000e-04 -1.0851000000e-03
-
-JOB 39
-COORDS -1.1752550000e+00 -7.1862800000e-01  7.3860400000e-01 -9.6577200000e-01 -7.6800200000e-01  1.6712940000e+00 -4.4190600000e-01 -2.3933900000e-01  3.5297100000e-01  1.1355930000e+00  6.9759900000e-01 -7.1337900000e-01  3.2244800000e-01  9.4765800000e-01 -1.1521240000e+00  1.7170790000e+00  4.2468400000e-01 -1.4230430000e+00
-ENERGY -1.526590845840e+02
-FORCES  7.7921000000e-03  1.9403000000e-03  1.5894000000e-03 -9.8900000000e-04 -8.2900000000e-05 -3.0512000000e-03 -9.0583000000e-03  3.2600000000e-05  3.5300000000e-05  1.9379000000e-03 -1.1740000000e-04 -6.7343000000e-03  2.9923000000e-03 -4.1401000000e-03  5.4109000000e-03 -2.6750000000e-03  2.3676000000e-03  2.7498000000e-03
-
-JOB 40
-COORDS  6.3119000000e-01  4.1671200000e-01  1.2726450000e+00  6.7423000000e-02  6.3223800000e-01  2.0155760000e+00  1.5177180000e+00  4.2594900000e-01  1.6334970000e+00 -7.1424500000e-01 -4.7372700000e-01 -1.3719560000e+00 -1.8375200000e-01  1.1884200000e-01 -1.9045640000e+00 -3.2786100000e-01 -4.2155700000e-01 -4.9776100000e-01
-ENERGY -1.526609121949e+02
-FORCES  1.8304000000e-03  1.3671000000e-03  5.0800000000e-03  3.2584000000e-03 -1.1249000000e-03 -3.0889000000e-03 -4.2192000000e-03  6.2860000000e-04 -9.4040000000e-04  5.6985000000e-03  4.1586000000e-03  5.1697000000e-03 -1.8203000000e-03 -2.1402000000e-03  6.8570000000e-04 -4.7477000000e-03 -2.8891000000e-03 -6.9062000000e-03
-
-JOB 41
-COORDS -6.8092500000e-01  1.2428900000e+00  5.5398700000e-01 -1.1211530000e+00  2.0403930000e+00  2.6001300000e-01 -3.2039400000e-01  1.4698320000e+00  1.4111600000e+00  6.9319500000e-01 -1.3814660000e+00 -5.8149400000e-01  1.1744840000e+00 -8.1488800000e-01 -1.1844710000e+00  1.0714700000e-01 -7.8853500000e-01 -1.1116200000e-01
-ENERGY -1.526602136160e+02
-FORCES -1.4206000000e-03  5.4440000000e-03  1.9115000000e-03  2.4016000000e-03 -2.8234000000e-03  2.0923000000e-03 -1.7583000000e-03 -9.9830000000e-04 -4.2123000000e-03 -2.5244000000e-03  8.1068000000e-03  1.5940000000e-04 -6.8160000000e-04 -2.7213000000e-03  1.2840000000e-03  3.9833000000e-03 -7.0078000000e-03 -1.2350000000e-03
-
-JOB 42
-COORDS -2.9689400000e-01 -9.2087200000e-01  1.3396380000e+00  3.6093000000e-01 -3.1680100000e-01  1.6840180000e+00 -3.7506900000e-01 -6.8852200000e-01  4.1436200000e-01  2.7067700000e-01  8.1676200000e-01 -1.3201490000e+00 -4.5764800000e-01  1.4005510000e+00 -1.5322000000e+00  8.6482800000e-01  1.3546290000e+00 -7.9677900000e-01
-ENERGY -1.526585725793e+02
-FORCES  2.9845000000e-03  4.3971000000e-03 -5.9721000000e-03 -1.9692000000e-03 -1.5421000000e-03 -5.6080000000e-04 -1.6133000000e-03 -3.3807000000e-03  7.3895000000e-03  3.3440000000e-04  6.8229000000e-03 -1.1425000000e-03  3.5195000000e-03 -3.0030000000e-03  1.4843000000e-03 -3.2560000000e-03 -3.2942000000e-03 -1.1983000000e-03
-
-JOB 43
-COORDS  4.4404500000e-01  1.4368360000e+00  6.3707900000e-01 -5.0574100000e-01  1.5004660000e+00  5.3663800000e-01  7.5847900000e-01  1.1610330000e+00 -2.2390600000e-01 -3.8886500000e-01 -1.4514080000e+00 -6.3934500000e-01 -1.2825670000e+00 -1.2343010000e+00 -3.7402500000e-01  1.5176700000e-01 -1.1985370000e+00  1.0899000000e-01
-ENERGY -1.526570424351e+02
-FORCES -2.9534000000e-03  7.4990000000e-04 -6.1978000000e-03  3.4830000000e-03 -1.2123000000e-03  1.3976000000e-03 -5.0980000000e-04  7.7210000000e-04  5.4005000000e-03 -1.3328000000e-03  1.2200000000e-03  6.3183000000e-03  3.4284000000e-03  1.3750000000e-04 -1.6111000000e-03 -2.1154000000e-03 -1.6672000000e-03 -5.3076000000e-03
-
-JOB 44
-COORDS -9.6474200000e-01  6.7191600000e-01  1.1384450000e+00 -1.0703030000e+00 -1.0038500000e-01  1.6939990000e+00 -1.5194200000e-01  5.1302000000e-01  6.5850700000e-01  9.1725400000e-01 -5.9454200000e-01 -1.0725860000e+00  1.1661550000e+00 -6.7687000000e-02 -1.8319960000e+00  7.6465300000e-01 -1.4702540000e+00 -1.4276510000e+00
-ENERGY -1.526594060368e+02
-FORCES  4.9636000000e-03 -5.5625000000e-03 -2.9982000000e-03 -1.7940000000e-04  2.5121000000e-03 -1.5083000000e-03 -4.3825000000e-03  4.2992000000e-03  5.7263000000e-03 -6.8190000000e-04 -2.4120000000e-03 -5.5542000000e-03 -1.0216000000e-03 -2.5781000000e-03  3.3641000000e-03  1.3019000000e-03  3.7413000000e-03  9.7030000000e-04
-
-JOB 45
-COORDS  1.2561610000e+00  6.0039600000e-01 -8.5587600000e-01  2.1363980000e+00  2.2474200000e-01 -8.7318100000e-01  7.6127600000e-01  2.5397000000e-02 -2.7218400000e-01 -1.2146100000e+00 -5.3983700000e-01  8.0572000000e-01 -1.8355330000e+00  1.4723600000e-01  1.0478260000e+00 -1.6885600000e+00 -1.3569700000e+00  9.6031000000e-01
-ENERGY -1.526600832919e+02
-FORCES -1.5525000000e-03 -4.3774000000e-03  3.5733000000e-03 -3.3017000000e-03  9.1200000000e-04  2.2910000000e-04  7.2660000000e-03  3.5176000000e-03 -4.5704000000e-03 -6.0300000000e-03  1.0410000000e-04  1.5803000000e-03  1.9827000000e-03 -3.8966000000e-03 -4.9500000000e-04  1.6355000000e-03  3.7402000000e-03 -3.1720000000e-04
-
-JOB 46
-COORDS  5.2621800000e-01  1.4173630000e+00  4.4522700000e-01  2.7867800000e-01  2.3302370000e+00  5.9225200000e-01  1.1669560000e+00  1.2290280000e+00  1.1309510000e+00 -5.3734800000e-01 -1.4958090000e+00 -5.4068700000e-01 -9.3302100000e-01 -1.6735280000e+00  3.1259500000e-01 -2.6833800000e-01 -5.7837000000e-01 -4.9407800000e-01
-ENERGY -1.526600899288e+02
-FORCES  2.2153000000e-03  4.8506000000e-03  3.4937000000e-03  1.7251000000e-03 -3.9152000000e-03  1.2860000000e-04 -3.4086000000e-03  1.0836000000e-03 -2.8213000000e-03  3.1700000000e-05  6.2622000000e-03  3.9355000000e-03  1.3833000000e-03 -2.2730000000e-04 -2.6963000000e-03 -1.9468000000e-03 -8.0539000000e-03 -2.0402000000e-03
-
-JOB 47
-COORDS -1.4111730000e+00  7.4840300000e-01  5.9609000000e-02 -2.2347860000e+00  4.8634800000e-01  4.7097400000e-01 -1.0529510000e+00  1.4165200000e+00  6.4401300000e-01  1.4319090000e+00 -8.3047700000e-01 -1.6210200000e-01  2.2204000000e+00 -5.3107100000e-01  2.9052300000e-01  7.5026900000e-01 -2.1687900000e-01  1.1193400000e-01
-ENERGY -1.526572377285e+02
-FORCES -6.1622000000e-03  1.6724000000e-03  3.3151000000e-03  3.5363000000e-03  2.1567000000e-03 -1.7892000000e-03  7.3080000000e-04 -4.9690000000e-03 -2.7113000000e-03 -2.8254000000e-03  3.5892000000e-03  1.6008000000e-03 -3.5748000000e-03 -5.2080000000e-04 -1.3865000000e-03  8.2953000000e-03 -1.9286000000e-03  9.7100000000e-04
-
-JOB 48
-COORDS -4.4091700000e-01  1.4236740000e+00 -8.0918900000e-01 -1.1003400000e-01  5.4694000000e-01 -6.1403400000e-01 -3.9639700000e-01  1.8884850000e+00  2.6395000000e-02  4.5867000000e-01 -1.3613530000e+00  7.3500300000e-01  2.8060300000e-01 -1.6948330000e+00  1.6143860000e+00 -1.4742700000e-01 -1.8400170000e+00  1.6953100000e-01
-ENERGY -1.526585614092e+02
-FORCES  3.3978000000e-03 -3.4654000000e-03  6.5607000000e-03 -3.5436000000e-03  4.0167000000e-03 -5.0251000000e-03 -8.0600000000e-04 -3.7420000000e-04 -3.2039000000e-03 -2.6566000000e-03 -5.2539000000e-03  3.6752000000e-03  7.7300000000e-04  9.1180000000e-04 -4.0435000000e-03  2.8353000000e-03  4.1650000000e-03  2.0365000000e-03
-
-JOB 49
-COORDS  2.2489000000e-02  1.4875260000e+00 -9.1493300000e-01  8.8097000000e-02  5.6930300000e-01 -1.1772170000e+00 -5.2223800000e-01  1.4739870000e+00 -1.2796300000e-01  4.4731000000e-02 -1.4352850000e+00  8.3285000000e-01  1.3767200000e-01 -8.8989200000e-01  1.6139650000e+00 -7.4819600000e-01 -1.9476620000e+00  9.9086300000e-01
-ENERGY -1.526570227282e+02
-FORCES -1.6184000000e-03 -6.7644000000e-03  2.8216000000e-03 -3.8320000000e-04  5.7100000000e-03 -1.5019000000e-03  1.7144000000e-03  1.6141000000e-03 -1.9922000000e-03 -1.6531000000e-03 -1.5918000000e-03  5.5165000000e-03 -1.4225000000e-03 -1.8908000000e-03 -3.9169000000e-03  3.3628000000e-03  2.9229000000e-03 -9.2710000000e-04
-
-JOB 50
-COORDS  4.4450500000e-01 -7.6535000000e-02  1.6723890000e+00 -3.3599700000e-01 -3.0430400000e-01  2.1775320000e+00  5.0366600000e-01 -7.5729400000e-01  1.0020910000e+00 -4.0709300000e-01  1.8274000000e-01 -1.6316470000e+00  3.2053900000e-01 -1.8946200000e-01 -2.1298930000e+00 -1.1069540000e+00 -4.6576900000e-01 -1.7082140000e+00
-ENERGY -1.526533404543e+02
-FORCES -3.8166000000e-03 -2.3932000000e-03 -3.4824000000e-03  2.9879000000e-03  6.7090000000e-04 -1.8193000000e-03  8.2160000000e-04  5.9880000000e-04  4.4593000000e-03 -3.2860000000e-04 -2.2835000000e-03 -3.6904000000e-03 -3.1220000000e-03  1.0597000000e-03  3.1051000000e-03  3.4577000000e-03  2.3474000000e-03  1.4278000000e-03
-
-JOB 51
-COORDS -1.3497720000e+00 -1.1496530000e+00  4.6441100000e-01 -6.5884700000e-01 -5.2543300000e-01  2.4259000000e-01 -1.7721180000e+00 -7.7542400000e-01  1.2375910000e+00  1.3265950000e+00  1.0265140000e+00 -4.7082700000e-01  6.5514800000e-01  1.6354420000e+00 -7.7839400000e-01  2.1450010000e+00  1.5186000000e+00 -5.3636000000e-01
-ENERGY -1.526573136548e+02
-FORCES  3.3528000000e-03  3.7470000000e-03  2.2627000000e-03 -6.7657000000e-03 -2.6225000000e-03  8.2630000000e-04  1.2946000000e-03 -1.2342000000e-03 -3.0774000000e-03  3.7227000000e-03  5.2518000000e-03 -2.3243000000e-03  2.1500000000e-03 -3.7182000000e-03  2.4347000000e-03 -3.7543000000e-03 -1.4239000000e-03 -1.2200000000e-04
-
-JOB 52
-COORDS -1.2920950000e+00 -1.2131190000e+00  5.1563900000e-01 -1.0841540000e+00 -5.5060200000e-01 -1.4319600000e-01 -6.9382300000e-01 -1.9359250000e+00  3.2628800000e-01  1.1861410000e+00  1.1875970000e+00 -4.8478500000e-01  1.5580020000e+00  1.1156650000e+00  3.9429200000e-01  1.8102950000e+00  1.7311350000e+00 -9.6564900000e-01
-ENERGY -1.526577894743e+02
-FORCES  3.9498000000e-03  9.9520000000e-04 -4.6505000000e-03 -2.9802000000e-03 -4.3556000000e-03  3.4187000000e-03 -2.3698000000e-03  2.2407000000e-03  1.2884000000e-03  4.8197000000e-03  3.0614000000e-03  1.9175000000e-03 -1.0722000000e-03  3.8210000000e-04 -4.3110000000e-03 -2.3472000000e-03 -2.3238000000e-03  2.3369000000e-03
-
-JOB 53
-COORDS  1.2459830000e+00  1.1939250000e+00  6.5048800000e-01  6.7145900000e-01  5.0934400000e-01  3.0770000000e-01  6.7651400000e-01  1.7320790000e+00  1.2003300000e+00 -1.1920790000e+00 -1.1509280000e+00 -7.1762800000e-01 -6.0668300000e-01 -1.8889890000e+00 -5.4789600000e-01 -1.6928130000e+00 -1.0506620000e+00  9.1967000000e-02
-ENERGY -1.526569490539e+02
-FORCES -5.6211000000e-03 -7.2390000000e-04 -1.1695000000e-03  4.7277000000e-03  3.4178000000e-03  4.4027000000e-03  2.1087000000e-03 -2.2698000000e-03 -1.7029000000e-03 -2.5993000000e-03 -5.7057000000e-03  2.0546000000e-03 -2.2135000000e-03  4.6269000000e-03 -2.1090000000e-04  3.5975000000e-03  6.5460000000e-04 -3.3739000000e-03
-
-JOB 54
-COORDS  1.0878400000e+00 -9.6467400000e-01  9.5092600000e-01  1.5129050000e+00 -1.6704240000e+00  4.6361900000e-01  1.4707330000e+00 -1.0133830000e+00  1.8268560000e+00 -1.1396250000e+00  1.0540820000e+00 -9.1272800000e-01 -1.7979860000e+00  9.4640000000e-01 -1.5991670000e+00 -4.2550100000e-01  4.7164600000e-01 -1.1716260000e+00
-ENERGY -1.526546501642e+02
-FORCES  3.3060000000e-03 -2.7856000000e-03  3.8413000000e-03 -2.2735000000e-03  3.5058000000e-03  1.1378000000e-03 -1.3053000000e-03 -3.5650000000e-04 -3.7710000000e-03  1.5175000000e-03 -3.7591000000e-03 -2.2534000000e-03  2.6247000000e-03  2.9010000000e-04  2.7840000000e-03 -3.8694000000e-03  3.1054000000e-03 -1.7387000000e-03
-
-JOB 55
-COORDS -1.0363150000e+00  9.6258400000e-01  1.2489570000e+00 -9.6279100000e-01  9.3829500000e-01  2.9489400000e-01 -1.3438500000e-01  1.0513280000e+00  1.5569810000e+00  9.9457100000e-01 -9.5470200000e-01 -1.1377480000e+00  1.6400290000e+00 -9.9251000000e-01 -1.8435700000e+00  1.5427100000e-01 -1.0984530000e+00 -1.5730240000e+00
-ENERGY -1.526558748749e+02
-FORCES  6.0042000000e-03 -8.3750000000e-04 -3.1649000000e-03 -2.4364000000e-03  5.1560000000e-04  3.2834000000e-03 -4.1085000000e-03  7.5200000000e-04  8.6000000000e-06 -3.5000000000e-05 -2.6371000000e-03 -5.2729000000e-03 -2.8873000000e-03  1.8950000000e-04  3.1179000000e-03  3.4629000000e-03  2.0175000000e-03  2.0278000000e-03
-
-JOB 56
-COORDS -3.2593700000e-01 -1.7495860000e+00 -6.6230800000e-01  5.8520000000e-03 -1.0292930000e+00 -1.1983360000e+00 -2.1113200000e-01 -1.4502120000e+00  2.3959300000e-01  3.4429200000e-01  1.6488420000e+00  6.6439200000e-01  6.2344600000e-01  2.5228130000e+00  3.9148400000e-01 -6.1069700000e-01  1.6720670000e+00  6.0365800000e-01
-ENERGY -1.526569164009e+02
-FORCES  3.6223000000e-03  5.1136000000e-03  2.1409000000e-03 -2.3326000000e-03 -3.7008000000e-03  7.7210000000e-04 -2.0053000000e-03 -2.3931000000e-03 -3.4383000000e-03 -2.3606000000e-03  5.6012000000e-03 -4.6500000000e-04 -1.4770000000e-03 -3.7277000000e-03  1.0131000000e-03  4.5532000000e-03 -8.9320000000e-04 -2.2800000000e-05
-
-JOB 57
-COORDS -1.4638890000e+00  7.0376500000e-01 -8.1708800000e-01 -1.0203990000e+00  8.5200000000e-02 -1.3975410000e+00 -2.3962460000e+00  5.4718300000e-01 -9.6683100000e-01  1.4926410000e+00 -6.3093300000e-01  8.0332400000e-01  9.4145300000e-01 -4.1327000000e-01  1.5550200000e+00  2.1036080000e+00 -1.2883650000e+00  1.1360920000e+00
-ENERGY -1.526554965073e+02
-FORCES -6.3570000000e-04 -3.5436000000e-03 -3.5356000000e-03 -3.4814000000e-03  2.9112000000e-03  1.4965000000e-03  3.7825000000e-03  5.5030000000e-04  8.7570000000e-04 -4.0220000000e-04 -7.1320000000e-04  5.0658000000e-03  3.3949000000e-03 -1.8023000000e-03 -2.3761000000e-03 -2.6581000000e-03  2.5975000000e-03 -1.5263000000e-03
-
-JOB 58
-COORDS  8.1114800000e-01  1.5776450000e+00 -8.3376300000e-01  9.9324900000e-01  7.6604900000e-01 -1.3074540000e+00  1.0192300000e+00  1.3750370000e+00  7.8314000000e-02 -8.3143700000e-01 -1.5327860000e+00  7.3679800000e-01 -1.6853600000e-01 -1.1082020000e+00  1.2813370000e+00 -1.5496740000e+00 -1.7254280000e+00  1.3395050000e+00
-ENERGY -1.526536482687e+02
-FORCES  4.3020000000e-04 -5.0553000000e-03  1.1458000000e-03  3.1250000000e-04  4.0591000000e-03  1.9512000000e-03 -5.8470000000e-04  5.9960000000e-04 -2.8289000000e-03 -1.5873000000e-03  8.0390000000e-04  5.0342000000e-03 -1.7639000000e-03 -1.0948000000e-03 -2.8823000000e-03  3.1932000000e-03  6.8750000000e-04 -2.4200000000e-03
-
-JOB 59
-COORDS -1.2996450000e+00 -1.5173780000e+00 -1.0097000000e-01 -1.7455280000e+00 -7.5884500000e-01 -4.7786300000e-01 -6.0857200000e-01 -1.1426500000e+00  4.4513300000e-01  1.3164660000e+00  1.4452940000e+00  3.0857000000e-02  7.3866400000e-01  2.1646950000e+00  2.8549300000e-01  1.3346240000e+00  8.6988500000e-01  7.9558300000e-01
-ENERGY -1.526537082150e+02
-FORCES  1.8203000000e-03  5.3519000000e-03 -7.7330000000e-04  9.4080000000e-04 -3.3634000000e-03  2.0412000000e-03 -2.6753000000e-03 -1.7714000000e-03 -5.2090000000e-04 -4.8930000000e-04  2.1085000000e-03  4.2694000000e-03  2.0536000000e-03 -3.7239000000e-03 -1.2606000000e-03 -1.6501000000e-03  1.3983000000e-03 -3.7558000000e-03
-
-JOB 60
-COORDS  6.5755300000e-01  3.7781000000e-01 -1.7873180000e+00  1.2673690000e+00  4.2468000000e-02 -2.4445110000e+00  9.8619400000e-01  3.3187000000e-02 -9.5697900000e-01 -6.4204400000e-01 -3.3179900000e-01  1.7648910000e+00 -1.0994690000e+00 -1.9421600000e-01  2.5943880000e+00 -1.3325130000e+00 -5.7217000000e-01  1.1470670000e+00
-ENERGY -1.526565280993e+02
-FORCES  4.2974000000e-03 -2.3095000000e-03  1.6053000000e-03 -2.4246000000e-03  1.3186000000e-03  2.5956000000e-03 -1.2865000000e-03  1.0013000000e-03 -5.3637000000e-03 -5.4813000000e-03  1.7210000000e-04  1.4445000000e-03  1.5885000000e-03 -7.5690000000e-04 -3.3733000000e-03  3.3064000000e-03  5.7440000000e-04  3.0916000000e-03
-
-JOB 61
-COORDS  1.7424550000e+00 -5.4672000000e-01  7.9173900000e-01  9.8662700000e-01 -4.3075900000e-01  1.3675070000e+00  1.4939130000e+00 -1.2662140000e+00  2.1140600000e-01 -1.7421510000e+00  6.1899800000e-01 -7.6593600000e-01 -8.9184900000e-01  9.5299200000e-01 -1.0517090000e+00 -1.6819560000e+00 -3.2821300000e-01 -8.9003300000e-01
-ENERGY -1.526549959129e+02
-FORCES -3.6836000000e-03 -2.8181000000e-03  1.4952000000e-03  3.6869000000e-03 -8.1360000000e-04 -2.9345000000e-03  4.8010000000e-04  3.4728000000e-03  1.7156000000e-03  3.7807000000e-03 -1.6102000000e-03 -2.6952000000e-03 -4.3989000000e-03 -1.7501000000e-03  1.1865000000e-03  1.3470000000e-04  3.5192000000e-03  1.2325000000e-03
-
-JOB 62
-COORDS  1.2775660000e+00 -3.2995400000e-01  1.5869280000e+00  1.0416000000e+00 -1.2107140000e+00  1.2956990000e+00  1.7556510000e+00  4.7008000000e-02  8.4830300000e-01 -1.2571960000e+00  4.2056600000e-01 -1.5204870000e+00 -2.1790580000e+00  2.0454800000e-01 -1.3799900000e+00 -8.6780300000e-01 -3.9042300000e-01 -1.8474460000e+00
-ENERGY -1.526535717197e+02
-FORCES  7.1100000000e-05 -9.8010000000e-04 -4.9252000000e-03  1.0909000000e-03  3.0421000000e-03  1.1621000000e-03 -1.0674000000e-03 -2.1900000000e-03  3.2909000000e-03 -3.0158000000e-03 -3.7878000000e-03 -3.0920000000e-04  3.8365000000e-03  7.2910000000e-04 -9.1350000000e-04 -9.1540000000e-04  3.1867000000e-03  1.6950000000e-03
-
-JOB 63
-COORDS  1.4000990000e+00 -1.4289910000e+00  7.9279400000e-01  9.1491800000e-01 -1.5712800000e+00 -1.9970000000e-02  1.0098860000e+00 -6.4069600000e-01  1.1703620000e+00 -1.3215390000e+00  1.3424550000e+00 -7.1986300000e-01 -2.2401200000e+00  1.5251500000e+00 -9.1750800000e-01 -8.3148800000e-01  1.9518680000e+00 -1.2718580000e+00
-ENERGY -1.526565268768e+02
-FORCES -4.8228000000e-03  3.3944000000e-03 -2.0511000000e-03  2.8059000000e-03 -4.4500000000e-04  3.0160000000e-03  2.7485000000e-03 -3.5520000000e-03 -6.4560000000e-04 -2.6047000000e-03  3.9718000000e-03 -3.3469000000e-03  3.9342000000e-03 -6.3280000000e-04  6.5100000000e-04 -2.0611000000e-03 -2.7364000000e-03  2.3767000000e-03
-
-JOB 64
-COORDS -8.4782200000e-01  1.5301780000e+00  1.2950520000e+00 -1.4614950000e+00  8.6230400000e-01  1.6009650000e+00 -2.1364400000e-01  1.6173800000e+00  2.0067020000e+00  7.8944400000e-01 -1.4886010000e+00 -1.3099810000e+00  7.2486800000e-01 -1.8130150000e+00 -2.2082110000e+00  1.7243040000e+00 -1.3305060000e+00 -1.1785460000e+00
-ENERGY -1.526536082402e+02
-FORCES  1.5300000000e-04 -3.4609000000e-03  3.4340000000e-03  2.1291000000e-03  3.2548000000e-03 -6.5530000000e-04 -2.3915000000e-03 -1.1410000000e-04 -2.7880000000e-03  3.5294000000e-03  2.0790000000e-04 -3.2540000000e-03  2.1890000000e-04  1.1679000000e-03  3.7121000000e-03 -3.6389000000e-03 -1.0557000000e-03 -4.4870000000e-04
-
-JOB 65
-COORDS -2.4666400000e-01  1.2192210000e+00  1.7227890000e+00 -2.7413100000e-01  9.3222400000e-01  2.6355370000e+00 -4.6848800000e-01  2.1497340000e+00  1.7570220000e+00  2.9660500000e-01 -1.3178690000e+00 -1.7833030000e+00 -6.2782900000e-01 -1.1467190000e+00 -1.9631960000e+00  6.4635400000e-01 -4.7311300000e-01 -1.4999370000e+00
-ENERGY -1.526553501990e+02
-FORCES -9.9990000000e-04  2.2565000000e-03  4.8207000000e-03  7.9000000000e-06  1.5658000000e-03 -3.6962000000e-03  9.2080000000e-04 -3.9077000000e-03 -4.5840000000e-04 -2.5020000000e-03  4.7275000000e-03  1.9001000000e-03  3.5114000000e-03 -9.6950000000e-04  4.0900000000e-05 -9.3820000000e-04 -3.6727000000e-03 -2.6073000000e-03
-
-JOB 66
-COORDS -9.8096200000e-01  1.7171870000e+00  1.0946830000e+00 -1.4616680000e+00  1.3945190000e+00  1.8569420000e+00 -3.0949400000e-01  1.0537420000e+00  9.3593100000e-01  9.3090800000e-01 -1.6904040000e+00 -1.1782820000e+00  1.4227000000e+00 -8.6933700000e-01 -1.1931710000e+00  1.0844500000e+00 -2.0462760000e+00 -3.0306100000e-01
-ENERGY -1.526535896429e+02
-FORCES  3.5100000000e-05 -4.4105000000e-03  2.1260000000e-03  2.1553000000e-03  1.3992000000e-03 -3.0071000000e-03 -1.8312000000e-03  3.0521000000e-03  9.9160000000e-04  3.2943000000e-03  1.0725000000e-03  2.2847000000e-03 -2.5843000000e-03 -3.3245000000e-03  9.4960000000e-04 -1.0691000000e-03  2.2112000000e-03 -3.3448000000e-03
-
-JOB 67
-COORDS  1.6653500000e+00 -2.8898100000e-01 -1.3791680000e+00  1.9497170000e+00 -1.1374300000e+00 -1.7190250000e+00  2.4092190000e+00  2.5199000000e-02 -8.6518300000e-01 -1.7420250000e+00  2.7314600000e-01  1.4064590000e+00 -1.9464590000e+00  3.6927500000e-01  4.7629900000e-01 -1.3535960000e+00  1.1120190000e+00  1.6547470000e+00
-ENERGY -1.526546922303e+02
-FORCES  4.2856000000e-03 -2.7656000000e-03  1.1476000000e-03 -1.0538000000e-03  3.5751000000e-03  1.1871000000e-03 -2.9796000000e-03 -1.0160000000e-03 -2.2522000000e-03  1.6512000000e-03  3.5302000000e-03 -3.7834000000e-03 -2.0410000000e-04 -1.7810000000e-04  4.2006000000e-03 -1.6994000000e-03 -3.1456000000e-03 -4.9990000000e-04
-
-JOB 68
-COORDS -4.3332900000e-01 -7.7213100000e-01 -2.1177220000e+00 -9.5997700000e-01  1.6918000000e-02 -1.9901480000e+00  4.4651000000e-01 -5.2155300000e-01 -1.8360740000e+00  4.2259400000e-01  7.3693700000e-01  2.0356630000e+00  8.0858900000e-01 -4.9304000000e-02  2.4217530000e+00 -1.7639600000e-01  1.0645040000e+00  2.7065890000e+00
-ENERGY -1.526552758043e+02
-FORCES  1.5535000000e-03  4.8045000000e-03  2.7951000000e-03  1.6781000000e-03 -3.2377000000e-03 -1.2945000000e-03 -3.2192000000e-03 -1.5417000000e-03 -1.9334000000e-03 -1.0995000000e-03 -2.1558000000e-03  4.7928000000e-03 -1.3964000000e-03  3.4104000000e-03 -1.6042000000e-03  2.4835000000e-03 -1.2797000000e-03 -2.7558000000e-03
-
-JOB 69
-COORDS  6.1839200000e-01  1.3017060000e+00 -1.8031210000e+00  7.6856600000e-01  3.6188300000e-01 -1.7010820000e+00  7.1283400000e-01  1.4592260000e+00 -2.7425360000e+00 -6.1093100000e-01 -1.2246520000e+00  1.7966240000e+00 -1.4710440000e+00 -1.2660240000e+00  2.2146250000e+00 -5.9828000000e-02 -1.8030930000e+00  2.3238100000e+00
-ENERGY -1.526543140228e+02
-FORCES  6.8620000000e-04 -3.7773000000e-03 -2.5630000000e-03 -4.8500000000e-05  4.1502000000e-03 -1.4679000000e-03 -4.0600000000e-04 -5.5510000000e-04  3.7647000000e-03 -1.6234000000e-03 -1.9766000000e-03  4.2815000000e-03  3.5902000000e-03 -1.0910000000e-04 -1.6221000000e-03 -2.1985000000e-03  2.2680000000e-03 -2.3933000000e-03
-
-JOB 70
-COORDS -6.5814500000e-01  2.1945750000e+00  5.8894400000e-01 -2.0124100000e-01  2.2339660000e+00 -2.5124600000e-01 -1.5845530000e+00  2.2762770000e+00  3.6239400000e-01  6.5049500000e-01 -2.2290890000e+00 -5.8267300000e-01  3.3981300000e-01 -2.0500130000e+00  3.0481800000e-01  1.5556250000e+00 -1.9177240000e+00 -5.8748100000e-01
-ENERGY -1.526550507920e+02
-FORCES -2.2301000000e-03  6.1220000000e-04 -4.7651000000e-03 -1.6350000000e-03 -1.1600000000e-05  3.6713000000e-03  3.7883000000e-03 -2.3840000000e-04  1.0710000000e-03  2.3134000000e-03  2.1563000000e-03  4.1675000000e-03  1.3471000000e-03 -1.2902000000e-03 -3.8449000000e-03 -3.5837000000e-03 -1.2283000000e-03 -2.9990000000e-04
-
-JOB 71
-COORDS -2.3011100000e+00 -5.8827900000e-01  1.1613170000e+00 -2.3781140000e+00 -1.3274100000e-01  1.9996410000e+00 -2.9640350000e+00 -1.7994300000e-01  6.0452000000e-01  2.3193310000e+00  6.0376000000e-01 -1.2220760000e+00  2.1948560000e+00 -3.4255900000e-01 -1.2943150000e+00  2.6546990000e+00  7.3469000000e-01 -3.3516200000e-01
-ENERGY -1.526544350840e+02
-FORCES -3.0963000000e-03  3.8249000000e-03  8.7440000000e-04  3.9600000000e-04 -1.9378000000e-03 -3.3233000000e-03  2.5601000000e-03 -1.8010000000e-03  2.4210000000e-03  2.4050000000e-04 -3.6312000000e-03  3.6070000000e-03  9.5290000000e-04  3.8720000000e-03  2.3500000000e-05 -1.0533000000e-03 -3.2680000000e-04 -3.6025000000e-03
-
-JOB 72
-COORDS  2.1644980000e+00  1.6870160000e+00  5.1305100000e-01  1.6545750000e+00  9.6812200000e-01  8.8641600000e-01  2.7374080000e+00  1.9702680000e+00  1.2256340000e+00 -2.1732760000e+00 -1.6874790000e+00 -6.2993400000e-01 -2.6487390000e+00 -1.9079560000e+00  1.7103900000e-01 -1.5558020000e+00 -1.0066080000e+00 -3.6277600000e-01
-ENERGY -1.526535880760e+02
-FORCES  8.6030000000e-04 -1.6201000000e-03  4.5180000000e-03  1.4217000000e-03  2.8356000000e-03 -1.7139000000e-03 -2.4558000000e-03 -1.1942000000e-03 -2.9522000000e-03  3.0930000000e-04  2.0330000000e-03  4.0044000000e-03  2.1249000000e-03  9.2020000000e-04 -3.2217000000e-03 -2.2604000000e-03 -2.9744000000e-03 -6.3460000000e-04
-
-JOB 73
-COORDS -7.7100000000e-03  1.5610070000e+00 -2.3873970000e+00  9.0328400000e-01  1.8032840000e+00 -2.2211940000e+00 -3.4455600000e-01  1.2929510000e+00 -1.5324620000e+00 -5.5884000000e-02 -1.6087740000e+00  2.3055240000e+00  7.7079000000e-01 -1.6184790000e+00  2.7879630000e+00 -2.8770700000e-01 -6.8202900000e-01  2.2452480000e+00
-ENERGY -1.526536831856e+02
-FORCES  2.3481000000e-03 -5.0980000000e-04  3.9466000000e-03 -3.7626000000e-03 -8.7100000000e-04 -5.4950000000e-04  1.4023000000e-03  1.4610000000e-03 -3.2138000000e-03  2.3856000000e-03  3.3407000000e-03  2.2704000000e-03 -3.4363000000e-03  1.7080000000e-04 -2.1263000000e-03  1.0629000000e-03 -3.5917000000e-03 -3.2740000000e-04
-
-JOB 74
-COORDS -1.1575840000e+00  2.3767340000e+00  1.1696580000e+00 -1.3703510000e+00  1.9490020000e+00  1.9991200000e+00 -1.1281110000e+00  1.6631820000e+00  5.3231400000e-01  1.1717930000e+00 -2.3331000000e+00 -1.2404510000e+00  1.0304340000e+00 -1.4637560000e+00 -8.6563100000e-01  1.2355350000e+00 -2.9138760000e+00 -4.8225100000e-01
-ENERGY -1.526535908657e+02
-FORCES -1.3038000000e-03 -4.2708000000e-03  8.2130000000e-04  1.0909000000e-03  1.6158000000e-03 -3.5266000000e-03  4.2840000000e-04  2.6069000000e-03  2.7140000000e-03  2.3790000000e-04  9.6060000000e-04  4.5114000000e-03 -1.1000000000e-05 -3.4322000000e-03 -1.4145000000e-03 -4.4240000000e-04  2.5197000000e-03 -3.1056000000e-03
-
-JOB 75
-COORDS  1.1397100000e-01 -1.2472900000e-01 -2.9113120000e+00 -7.7166900000e-01  2.3835900000e-01 -2.9177070000e+00  6.8560600000e-01  6.3497100000e-01 -3.0223130000e+00 -1.2495100000e-01  8.9718000000e-02  2.8659730000e+00  7.0487800000e-01  3.1421100000e-01  3.2869450000e+00 -4.4920800000e-01 -6.6278900000e-01  3.3607680000e+00
-ENERGY -1.526539954832e+02
-FORCES -1.4001000000e-03  4.6868000000e-03  1.8310000000e-04  3.5615000000e-03 -1.5080000000e-03 -3.5120000000e-04 -2.2073000000e-03 -3.0886000000e-03  1.9370000000e-04  2.1927000000e-03 -2.4645000000e-03  3.4996000000e-03 -3.4054000000e-03 -7.8600000000e-04 -1.6410000000e-03  1.2585000000e-03  3.1602000000e-03 -1.8841000000e-03
-
-JOB 76
-COORDS  8.9037900000e-01  2.8466670000e+00 -1.6611670000e+00  1.2747540000e+00  3.6782880000e+00 -1.9384650000e+00 -1.7919000000e-02  2.8906150000e+00 -1.9599870000e+00 -8.1599300000e-01 -2.9140660000e+00  1.6529240000e+00 -1.7543010000e+00 -3.0818540000e+00  1.5654210000e+00 -7.3155800000e-01 -2.4521580000e+00  2.4870370000e+00
-ENERGY -1.526538436563e+02
-FORCES -2.1312000000e-03  3.3900000000e-03 -2.4219000000e-03 -1.5687000000e-03 -3.3762000000e-03  1.1687000000e-03  3.6780000000e-03 -6.6600000000e-05  1.2469000000e-03 -3.3119000000e-03  1.4143000000e-03  2.9983000000e-03  3.7759000000e-03  6.4980000000e-04  3.3620000000e-04 -4.4200000000e-04 -2.0113000000e-03 -3.3282000000e-03
-
-JOB 77
-COORDS -8.9730900000e-01  2.6552520000e+00  2.6159220000e+00 -1.2853360000e+00  1.9443470000e+00  3.1260990000e+00 -1.1804500000e-01  2.2673360000e+00  2.2178010000e+00  8.6850300000e-01 -2.6533650000e+00 -2.5816180000e+00  9.7254200000e-01 -2.5858200000e+00 -3.5307470000e+00  8.7317100000e-01 -1.7467640000e+00 -2.2745600000e+00
-ENERGY -1.526540800071e+02
-FORCES  1.5541000000e-03 -4.5037000000e-03  6.5400000000e-04  1.6062000000e-03  2.9362000000e-03 -2.1356000000e-03 -3.1712000000e-03  1.5879000000e-03  1.4516000000e-03  4.0130000000e-04  3.9282000000e-03 -2.8238000000e-03 -4.0560000000e-04 -2.7020000000e-04  3.9145000000e-03  1.5100000000e-05 -3.6783000000e-03 -1.0607000000e-03
-
-JOB 78
-COORDS  1.9321760000e+00  1.7753400000e-01 -3.3564550000e+00  1.3906320000e+00  3.3220100000e-01 -2.5824780000e+00  2.7630010000e+00 -1.4519100000e-01 -3.0074420000e+00 -1.9091910000e+00 -2.1961100000e-01  3.3331880000e+00 -2.7108400000e+00  2.2967400000e-01  3.6010210000e+00 -1.6858740000e+00  1.7115900000e-01  2.4884040000e+00
-ENERGY -1.526539683871e+02
-FORCES  1.3148000000e-03 -7.9830000000e-04  4.5410000000e-03  2.0776000000e-03 -5.4600000000e-04 -3.0964000000e-03 -3.4353000000e-03  1.3665000000e-03 -1.4281000000e-03 -2.5592000000e-03  3.4313000000e-03 -2.2187000000e-03  3.3266000000e-03 -1.8337000000e-03 -1.1246000000e-03 -7.2460000000e-04 -1.6198000000e-03  3.3267000000e-03
-
-JOB 79
-COORDS -1.2818510000e+00 -1.1300940000e+00  4.3932740000e+00 -5.8082600000e-01 -6.0504700000e-01  4.7794370000e+00 -1.6564020000e+00 -1.6105410000e+00  5.1315920000e+00  1.3038000000e+00  1.1185430000e+00 -4.5198320000e+00  4.0591400000e-01  7.9987400000e-01 -4.4277280000e+00  1.4771260000e+00  1.5870350000e+00 -3.7033120000e+00
-ENERGY -1.526542007722e+02
-FORCES  1.3217000000e-03  1.1570000000e-04  4.6577000000e-03 -2.8582000000e-03 -2.1077000000e-03 -1.6235000000e-03  1.5297000000e-03  1.9781000000e-03 -3.0187000000e-03 -3.0030000000e-03  5.4130000000e-04  3.7856000000e-03  3.6676000000e-03  1.3288000000e-03 -4.4090000000e-04 -6.5790000000e-04 -1.8562000000e-03 -3.3602000000e-03
-
-JOB 80
-COORDS -3.4003470000e+00  2.2172370000e+00  2.5026560000e+00 -3.6898310000e+00  2.1719810000e+00  1.5914030000e+00 -3.3875030000e+00  3.1528910000e+00  2.7041960000e+00  3.4579500000e+00 -2.2746240000e+00 -2.4083720000e+00  3.6379240000e+00 -2.5497140000e+00 -3.3073530000e+00  2.5624600000e+00 -1.9375690000e+00 -2.4352570000e+00
-ENERGY -1.526540116875e+02
-FORCES -1.1220000000e-03  3.6645000000e-03 -2.8263000000e-03  1.2002000000e-03  1.5530000000e-04  3.6787000000e-03 -6.5800000000e-05 -3.8270000000e-03 -8.4840000000e-04 -2.9424000000e-03  2.2920000000e-04 -3.7055000000e-03 -7.3260000000e-04  1.1358000000e-03  3.6554000000e-03  3.6626000000e-03 -1.3578000000e-03  4.6300000000e-05
-
-JOB 81
-COORDS -3.9388040000e+00 -1.4414400000e-01 -2.7983700000e+00 -4.4389880000e+00 -9.0145400000e-01 -2.4941840000e+00 -3.4302720000e+00  1.2988200000e-01 -2.0351290000e+00  3.9478120000e+00  1.1671600000e-01  2.7171170000e+00  4.5861080000e+00  8.2970100000e-01  2.7386280000e+00  3.1802490000e+00  4.6806900000e-01  3.1683700000e+00
-ENERGY -1.526540689442e+02
-FORCES  1.0460000000e-04 -2.0394000000e-03  4.3302000000e-03  2.0088000000e-03  3.1132000000e-03 -1.2315000000e-03 -2.1184000000e-03 -1.0659000000e-03 -3.0880000000e-03 -4.2320000000e-04  4.3614000000e-03  1.9388000000e-03 -2.6355000000e-03 -2.9133000000e-03 -7.8100000000e-05  3.0636000000e-03 -1.4560000000e-03 -1.8714000000e-03
-
-JOB 82
-COORDS  1.3074820000e+00 -4.5010460000e+00 -1.1861100000e+00  1.8555170000e+00 -4.8778400000e+00 -1.8745250000e+00  7.7760300000e-01 -3.8421960000e+00 -1.6348610000e+00 -1.2936500000e+00  4.5437840000e+00  1.2200520000e+00 -1.8267480000e+00  4.4438520000e+00  2.0087550000e+00 -1.0241000000e+00  3.6525510000e+00  9.9806500000e-01
-ENERGY -1.526541132601e+02
-FORCES  1.2020000000e-04  1.0654000000e-03 -4.6987000000e-03 -2.2511000000e-03  1.5546000000e-03  2.8190000000e-03  2.1367000000e-03 -2.6271000000e-03  1.8924000000e-03 -1.0486000000e-03 -4.0440000000e-03  2.3900000000e-03  2.1595000000e-03  4.1660000000e-04 -3.2401000000e-03 -1.1166000000e-03  3.6344000000e-03  8.3730000000e-04
-
-JOB 83
-COORDS -7.5460800000e-01  3.0276260000e+00  3.8095290000e+00 -8.9399800000e-01  2.2164170000e+00  4.2981420000e+00  1.2114100000e-01  2.9344580000e+00  3.4345420000e+00  7.2292100000e-01 -3.0045190000e+00 -3.7584220000e+00  3.0859000000e-02 -2.3994640000e+00 -4.0252350000e+00  1.2461100000e+00 -3.1345440000e+00 -4.5493690000e+00
-ENERGY -1.526541823843e+02
-FORCES  3.0223000000e-03 -3.7554000000e-03  4.4580000000e-04  5.5090000000e-04  3.3367000000e-03 -1.9663000000e-03 -3.5733000000e-03  4.2970000000e-04  1.5352000000e-03 -7.2660000000e-04  1.9229000000e-03 -4.3606000000e-03  2.8463000000e-03 -2.4689000000e-03  1.1068000000e-03 -2.1196000000e-03  5.3500000000e-04  3.2392000000e-03
-
-JOB 84
-COORDS -4.4710270000e+00  2.7156400000e+00 -2.1145550000e+00 -4.3202820000e+00  1.8959810000e+00 -2.5853710000e+00 -5.2054210000e+00  2.5255300000e+00 -1.5308130000e+00  4.5146180000e+00 -2.6684960000e+00  2.1681980000e+00  4.9134880000e+00 -1.9256220000e+00  1.7151270000e+00  4.0452320000e+00 -3.1438080000e+00  1.4826410000e+00
-ENERGY -1.526540795664e+02
-FORCES -2.4249000000e-03 -4.0989000000e-03  4.8410000000e-04 -5.8060000000e-04  3.3344000000e-03  1.9131000000e-03  3.0060000000e-03  7.6710000000e-04 -2.3959000000e-03 -2.7520000000e-04  1.1343000000e-03 -4.6417000000e-03 -1.6244000000e-03 -3.0546000000e-03  1.8449000000e-03  1.8991000000e-03  1.9178000000e-03  2.7956000000e-03
-
-JOB 85
-COORDS -2.4067090000e+00 -2.6888620000e+00 -4.8512130000e+00 -1.7625950000e+00 -3.0496200000e+00 -4.2419480000e+00 -2.0264490000e+00 -2.8357970000e+00 -5.7172640000e+00  2.3804350000e+00  2.7185250000e+00  4.9207470000e+00  2.7760180000e+00  2.6293030000e+00  4.0536920000e+00  1.4381150000e+00  2.7380190000e+00  4.7537580000e+00
-ENERGY -1.526540897769e+02
-FORCES  4.1518000000e-03 -2.1229000000e-03 -1.0914000000e-03 -2.6167000000e-03  1.5102000000e-03 -2.4598000000e-03 -1.5403000000e-03  6.1560000000e-04  3.5493000000e-03 -2.2577000000e-03 -2.5670000000e-04 -4.2138000000e-03 -1.5967000000e-03  3.4520000000e-04  3.5335000000e-03  3.8595000000e-03 -9.1500000000e-05  6.8220000000e-04
-
-JOB 86
-COORDS  3.4029770000e+00  5.1025220000e+00  2.6430800000e+00  4.3356600000e+00  5.1747610000e+00  2.8458510000e+00  2.9780440000e+00  5.0141910000e+00  3.4962270000e+00 -3.4871140000e+00 -5.0810410000e+00 -2.7309700000e+00 -2.6910960000e+00 -5.4489420000e+00 -3.1146850000e+00 -3.3211130000e+00 -5.0806920000e+00 -1.7882750000e+00
-ENERGY -1.526540665938e+02
-FORCES  2.0640000000e-03 -3.2100000000e-05  4.3049000000e-03 -3.8044000000e-03 -3.0970000000e-04 -8.2700000000e-04  1.7383000000e-03  3.4310000000e-04 -3.4802000000e-03  3.9442000000e-03 -1.4553000000e-03  2.2753000000e-03 -3.2545000000e-03  1.4785000000e-03  1.5661000000e-03 -6.8760000000e-04 -2.4500000000e-05 -3.8391000000e-03
-
-JOB 87
-COORDS -6.9892950000e+00  2.6301200000e+00  1.0081250000e+00 -6.8733440000e+00  1.7521720000e+00  1.3714350000e+00 -7.8850030000e+00  2.8712300000e+00  1.2443530000e+00  7.0326500000e+00 -2.5568350000e+00 -1.0903660000e+00  7.5612520000e+00 -2.5534640000e+00 -2.9236800000e-01  6.4902270000e+00 -3.3419590000e+00 -1.0156070000e+00
-ENERGY -1.526540478890e+02
-FORCES -3.1758000000e-03 -2.5918000000e-03  2.4354000000e-03 -4.7530000000e-04  3.5779000000e-03 -1.4763000000e-03  3.6538000000e-03 -9.8680000000e-04 -9.6000000000e-04 -6.8000000000e-05 -3.1721000000e-03  3.5587000000e-03 -2.1527000000e-03 -2.1600000000e-05 -3.2551000000e-03  2.2180000000e-03  3.1944000000e-03 -3.0270000000e-04
-
-JOB 88
-COORDS  5.5271860000e+00 -5.5667850000e+00 -1.5912400000e-01  6.2599920000e+00 -5.1123930000e+00 -5.7476200000e-01  5.1532180000e+00 -4.9209490000e+00  4.4027200000e-01 -5.5437670000e+00  5.4961020000e+00  2.0440100000e-01 -5.4473570000e+00  6.2844670000e+00 -3.2984400000e-01 -5.7404100000e+00  4.8022520000e+00 -4.2499200000e-01
-ENERGY -1.526540872422e+02
-FORCES  1.4633000000e-03  4.4895000000e-03  7.6680000000e-04 -2.9893000000e-03 -1.8545000000e-03  1.6869000000e-03  1.5272000000e-03 -2.6360000000e-03 -2.4546000000e-03 -4.3310000000e-04  3.8680000000e-04 -4.7484000000e-03 -3.8260000000e-04 -3.2169000000e-03  2.1805000000e-03  8.1450000000e-04  2.8312000000e-03  2.5688000000e-03
-
-JOB 89
-COORDS -3.5285330000e+00  7.2719420000e+00  3.3301900000e-01 -3.1514980000e+00  7.9050950000e+00 -2.7787800000e-01 -2.8652780000e+00  6.5857830000e+00  4.0724200000e-01  3.4726060000e+00 -7.2057110000e+00 -2.7082700000e-01  3.6136200000e+00 -7.3909000000e+00 -1.1992940000e+00  3.2823840000e+00 -8.0594540000e+00  1.1798100000e-01
-ENERGY -1.526540946718e+02
-FORCES  4.2542000000e-03 -2.3560000000e-04 -2.1812000000e-03 -1.5436000000e-03 -2.5734000000e-03  2.4878000000e-03 -2.7107000000e-03  2.8113000000e-03 -3.0760000000e-04 -2.0470000000e-04 -4.2524000000e-03 -2.1942000000e-03 -5.7360000000e-04  7.6460000000e-04  3.7842000000e-03  7.7830000000e-04  3.4855000000e-03 -1.5890000000e-03
-
-JOB 0
-COORDS -5.9628000000e-01  8.7439500000e-01  5.0884500000e-01 -1.0001940000e+00  4.7138200000e-01  1.2773930000e+00 -1.1618470000e+00  1.6187070000e+00  3.0301700000e-01  7.1120900000e-01 -8.9135100000e-01 -5.8182100000e-01  2.3772100000e-01 -1.7060730000e+00 -4.1368900000e-01  2.2915100000e-01 -2.2748300000e-01 -8.8739000000e-02
-ENERGY -1.526499001681e+02
-FORCES  1.2529900000e-02 -1.6985500000e-02 -1.5398900000e-02  2.4876000000e-03  5.2100000000e-04 -6.4019000000e-03  1.4647000000e-03 -4.2976000000e-03  4.2201000000e-03 -1.6088300000e-02  2.1600700000e-02  1.0067500000e-02 -5.9150000000e-04  3.9615000000e-03  1.8427000000e-03  1.9760000000e-04 -4.8002000000e-03  5.6705000000e-03
-
-JOB 1
-COORDS -1.8776800000e-01  9.4644700000e-01 -7.6946600000e-01 -1.0835320000e+00  1.0889150000e+00 -1.0753120000e+00  3.0946900000e-01  7.5388500000e-01 -1.5643930000e+00  2.2960100000e-01 -1.0104180000e+00  8.2637100000e-01  7.7177000000e-02 -3.7259400000e-01  1.2910500000e-01  6.6161000000e-02 -5.2538400000e-01  1.6352350000e+00
-ENERGY -1.526562904280e+02
-FORCES  1.7990000000e-04 -1.0278700000e-02  6.8100000000e-03  5.5938000000e-03 -1.0942000000e-03  1.2877000000e-03 -3.9812000000e-03 -1.3310000000e-03  5.8998000000e-03 -4.6247000000e-03  2.1192300000e-02 -1.2848200000e-02  3.1558000000e-03 -7.4198000000e-03  6.1390000000e-04 -3.2360000000e-04 -1.0686000000e-03 -1.7631000000e-03
-
-JOB 2
-COORDS -1.3485000000e-02 -6.0612700000e-01  1.1838240000e+00 -1.9553500000e-01 -9.5640000000e-02  3.9484200000e-01  9.1297400000e-01 -4.4688900000e-01  1.3642370000e+00 -8.4042000000e-02  5.7923900000e-01 -1.1097010000e+00  7.3789200000e-01  1.0697710000e+00 -1.1154890000e+00  3.9649000000e-02 -1.0409000000e-01 -1.7684830000e+00
-ENERGY -1.526558316388e+02
-FORCES  4.3570000000e-04  1.1612000000e-02 -2.0545100000e-02  1.0755000000e-03 -3.7332000000e-03  7.5782000000e-03 -1.9354000000e-03  4.0070000000e-04 -1.8096000000e-03  3.8111000000e-03 -8.2307000000e-03  9.4994000000e-03 -3.8186000000e-03 -4.3704000000e-03  1.4480000000e-03  4.3170000000e-04  4.3216000000e-03  3.8290000000e-03
-
-JOB 3
-COORDS -4.3124500000e-01  1.1895510000e+00  4.4326600000e-01 -6.1992000000e-02  3.4984300000e-01  1.6981600000e-01 -8.8555200000e-01  1.5162410000e+00 -3.3333600000e-01  3.8847900000e-01 -1.1454390000e+00 -4.2095900000e-01  3.4510900000e-01 -1.6592680000e+00  3.8547100000e-01  1.3233250000e+00 -9.9173400000e-01 -5.5760300000e-01
-ENERGY -1.526578609024e+02
-FORCES  4.3210000000e-03 -1.8970300000e-02 -1.0097600000e-02  9.3590000000e-04  7.5884000000e-03  6.1999000000e-03  1.6504000000e-03 -1.0461000000e-03  1.5452000000e-03 -1.0467000000e-03  5.4613000000e-03  4.1754000000e-03  7.2670000000e-04  5.6028000000e-03 -4.1988000000e-03 -6.5874000000e-03  1.3640000000e-03  2.3758000000e-03
-
-JOB 4
-COORDS -1.6819600000e-01  1.0147330000e+00  8.4810200000e-01  4.7470300000e-01  1.1867040000e+00  1.5360980000e+00  2.4416500000e-01  3.5148700000e-01  2.9466300000e-01  1.1900400000e-01 -9.2870400000e-01 -8.1984600000e-01  1.2682200000e-01 -1.8249060000e+00 -4.8370400000e-01 -1.0062300000e-01 -1.0219850000e+00 -1.7468270000e+00
-ENERGY -1.526573032418e+02
-FORCES  2.0108000000e-03 -1.1384800000e-02 -1.1296600000e-02 -1.0682000000e-03 -3.3117000000e-03 -3.2837000000e-03  1.4603000000e-03  4.5124000000e-03  6.6407000000e-03 -3.5474000000e-03  7.9015000000e-03  5.8841000000e-03  3.7320000000e-04  4.2190000000e-03 -2.5435000000e-03  7.7140000000e-04 -1.9364000000e-03  4.5990000000e-03
-
-JOB 5
-COORDS -1.3083620000e+00 -3.0650900000e-01 -4.3210700000e-01 -3.7393900000e-01 -4.1213500000e-01 -6.1079400000e-01 -1.3437520000e+00  6.1764000000e-02  4.5070300000e-01  1.2169600000e+00  2.5673800000e-01  4.3066400000e-01  1.7629960000e+00 -7.0987000000e-02 -2.8395000000e-01  1.3135610000e+00  1.2081650000e+00  3.8960200000e-01
-ENERGY -1.526548467532e+02
-FORCES  1.4673000000e-02  3.7685000000e-03  9.3666000000e-03 -5.9680000000e-04 -2.9176000000e-03 -6.6885000000e-03 -3.6741000000e-03  3.6520000000e-04 -1.8184000000e-03 -2.7395000000e-03  2.8537000000e-03 -3.2777000000e-03 -6.7781000000e-03  9.6220000000e-04  1.9849000000e-03 -8.8450000000e-04 -5.0321000000e-03  4.3310000000e-04
-
-JOB 6
-COORDS -2.6665000000e-02  1.1450690000e+00  5.7038200000e-01  6.8980500000e-01  1.4501540000e+00  1.1270020000e+00 -7.7221500000e-01  1.6921870000e+00  8.1746200000e-01  1.8762000000e-02 -1.2508560000e+00 -6.6448100000e-01  5.9267900000e-01 -1.2668860000e+00  1.0141300000e-01 -3.5585700000e-01 -3.7000800000e-01 -6.6525900000e-01
-ENERGY -1.526563693126e+02
-FORCES  1.6268000000e-03 -3.2633000000e-03 -8.9800000000e-05 -4.0060000000e-03 -1.8568000000e-03 -1.7370000000e-03  3.7206000000e-03 -3.1890000000e-03 -1.8783000000e-03  1.3173000000e-03  1.3971100000e-02  9.6386000000e-03  9.0580000000e-04 -2.8178000000e-03 -1.5872000000e-03 -3.5644000000e-03 -2.8442000000e-03 -4.3463000000e-03
-
-JOB 7
-COORDS  2.4357600000e-01  4.4322100000e-01  1.2566610000e+00 -2.3467000000e-02 -1.9425500000e-01  1.9188880000e+00  1.1327690000e+00  1.8216400000e-01  1.0170440000e+00 -2.8749300000e-01 -3.5532000000e-01 -1.3360630000e+00 -1.2895200000e-01 -3.9535000000e-02 -4.4646900000e-01 -2.9104400000e-01 -1.3090830000e+00 -1.2550910000e+00
-ENERGY -1.526579728556e+02
-FORCES  9.4030000000e-04 -3.6035000000e-03  8.0270000000e-04  2.1647000000e-03  2.6440000000e-03 -4.3026000000e-03 -8.1799000000e-03 -4.4230000000e-04 -2.3500000000e-03 -3.9400000000e-04  2.4422000000e-03  1.3941300000e-02  4.7350000000e-03 -4.0792000000e-03 -9.1071000000e-03  7.3390000000e-04  3.0388000000e-03  1.0157000000e-03
-
-JOB 8
-COORDS  1.0612610000e+00 -7.8556200000e-01 -8.7360000000e-02  1.9021120000e+00 -3.4312500000e-01  2.8621000000e-02  1.1318410000e+00 -1.5783090000e+00  4.4443200000e-01 -1.1177790000e+00  8.6132600000e-01  2.3683000000e-02 -1.7708770000e+00  4.3852400000e-01  5.8129600000e-01 -4.0136800000e-01  2.2869400000e-01 -2.8877000000e-02
-ENERGY -1.526604618779e+02
-FORCES -8.2490000000e-04  2.9261000000e-03  2.6963000000e-03 -3.9338000000e-03 -3.5111000000e-03 -4.7900000000e-05  6.4700000000e-05  4.3798000000e-03 -2.2115000000e-03  1.0120100000e-02 -1.0061600000e-02  3.9560000000e-04  2.6499000000e-03  1.3850000000e-04 -1.3445000000e-03 -8.0761000000e-03  6.1283000000e-03  5.1200000000e-04
-
-JOB 9
-COORDS -6.2168000000e-01 -8.2697000000e-01 -9.7080500000e-01 -1.2326530000e+00 -3.4933100000e-01 -1.5318800000e+00 -9.0609000000e-02 -1.4517700000e-01 -5.5928000000e-01  6.4995700000e-01  7.2769700000e-01  9.2377200000e-01  3.0379200000e-01  3.8392500000e-01  1.7473150000e+00  5.8731500000e-01  1.6784420000e+00  1.0153740000e+00
-ENERGY -1.526604263604e+02
-FORCES  5.0643000000e-03  8.6531000000e-03  6.7135000000e-03  2.3019000000e-03 -2.5560000000e-04  2.5102000000e-03 -4.7753000000e-03 -5.0993000000e-03 -7.6993000000e-03 -4.1561000000e-03 -1.8928000000e-03  2.4066000000e-03  2.2641000000e-03  3.4245000000e-03 -3.3449000000e-03 -6.9890000000e-04 -4.8298000000e-03 -5.8610000000e-04
-
-JOB 10
-COORDS  2.8902400000e-01  1.0496380000e+00  8.2062400000e-01  1.0806110000e+00  7.0300000000e-01  4.0896300000e-01  5.8349200000e-01  1.3741360000e+00  1.6716360000e+00 -4.0745900000e-01 -1.0870290000e+00 -8.4215600000e-01 -1.9987100000e-01 -2.2124700000e-01 -4.9064400000e-01  3.7083300000e-01 -1.3367180000e+00 -1.3403010000e+00
-ENERGY -1.526530264155e+02
-FORCES  1.7600000000e-03 -3.4034000000e-03  3.2394000000e-03 -8.3704000000e-03 -1.2912000000e-03 -2.6219000000e-03  6.3000000000e-05 -1.3198000000e-03 -4.3083000000e-03  5.5460000000e-04  6.1065000000e-03  4.1855000000e-03  7.5880000000e-03 -2.7558000000e-03 -4.1580000000e-03 -1.5952000000e-03  2.6637000000e-03  3.6634000000e-03
-
-JOB 11
-COORDS  9.3718500000e-01 -3.1499300000e-01 -8.9703500000e-01  1.8768050000e+00 -2.1243800000e-01 -1.0481290000e+00  6.2111200000e-01 -7.9070900000e-01 -1.6651640000e+00 -9.7475100000e-01  3.8238300000e-01  1.0028900000e+00 -2.9122700000e-01  1.7440000000e-01  3.6588900000e-01 -1.7072560000e+00 -1.8508500000e-01  7.6278900000e-01
-ENERGY -1.526602709229e+02
-FORCES -8.9300000000e-05  6.4690000000e-04  7.5080000000e-04 -4.5001000000e-03 -1.4904000000e-03 -1.1250000000e-03  2.0019000000e-03  2.1080000000e-03  3.7469000000e-03  7.3850000000e-03 -4.3722000000e-03 -8.5088000000e-03 -7.1718000000e-03  1.7371000000e-03  5.3753000000e-03  2.3743000000e-03  1.3707000000e-03 -2.3920000000e-04
-
-JOB 12
-COORDS  8.1277400000e-01  7.8499900000e-01 -9.0623600000e-01  4.5150800000e-01  2.7997300000e-01 -1.7776700000e-01  3.8602100000e-01  1.6393120000e+00 -8.4094500000e-01 -7.9773300000e-01 -7.6615700000e-01  8.1886500000e-01 -4.2552100000e-01 -5.2333200000e-01  1.6666420000e+00 -6.3209400000e-01 -1.7059690000e+00  7.4436600000e-01
-ENERGY -1.526590691976e+02
-FORCES -9.9632000000e-03 -4.8704000000e-03  6.7568000000e-03  8.3748000000e-03  5.6412000000e-03 -1.9324000000e-03  1.5117000000e-03 -2.4603000000e-03  4.5730000000e-04  1.8000000000e-04 -4.0185000000e-03  6.9790000000e-04  2.3310000000e-04  3.7590000000e-04 -7.0985000000e-03 -3.3640000000e-04  5.3321000000e-03  1.1189000000e-03
-
-JOB 13
-COORDS  1.0515080000e+00 -7.3595600000e-01 -7.2235400000e-01  3.8167000000e-01 -7.2898700000e-01 -3.8614000000e-02  1.3559570000e+00  1.7032200000e-01 -7.6930100000e-01 -9.6898400000e-01  6.6181300000e-01  7.1357200000e-01 -1.7818120000e+00  1.6195500000e-01  6.3817300000e-01 -1.1732890000e+00  1.5122580000e+00  3.2468400000e-01
-ENERGY -1.526575775443e+02
-FORCES -7.3422000000e-03  9.5636000000e-03  7.1976000000e-03  2.1926000000e-03 -6.6511000000e-03 -2.3643000000e-03  9.2260000000e-04 -2.2009000000e-03 -1.7743000000e-03 -1.6498000000e-03  1.5975000000e-03 -5.0662000000e-03  5.1297000000e-03  1.4204000000e-03 -5.2800000000e-05  7.4720000000e-04 -3.7295000000e-03  2.0599000000e-03
-
-JOB 14
-COORDS  1.3162590000e+00 -5.5675900000e-01  3.2729000000e-01  1.5734860000e+00  2.1442400000e-01  8.3260500000e-01  5.2979200000e-01 -2.8303600000e-01 -1.4470400000e-01 -1.2178680000e+00  4.7935100000e-01 -3.4559500000e-01 -1.6224310000e+00  1.3367730000e+00 -4.7745800000e-01 -1.9028650000e+00 -4.8702000000e-02  6.4493000000e-02
-ENERGY -1.526604037573e+02
-FORCES -9.6524000000e-03  7.8206000000e-03 -1.6458000000e-03  2.1350000000e-04 -2.1779000000e-03 -1.0430000000e-03  6.4425000000e-03 -5.0482000000e-03  1.2701000000e-03 -5.8470000000e-04  1.5840000000e-04  2.1336000000e-03  8.0140000000e-04 -4.2113000000e-03  1.6345000000e-03  2.7796000000e-03  3.4584000000e-03 -2.3494000000e-03
-
-JOB 15
-COORDS  1.2248690000e+00  5.7930200000e-01  5.1380100000e-01  5.4506400000e-01  2.2557800000e-01 -5.9763000000e-02  1.9592760000e+00 -2.7052000000e-02  4.1781200000e-01 -1.2242840000e+00 -4.7059300000e-01 -5.2483500000e-01 -1.3893300000e+00 -4.0271200000e-01  4.1558100000e-01 -1.1003760000e+00 -1.4070090000e+00 -6.7976700000e-01
-ENERGY -1.526602032647e+02
-FORCES -5.9974000000e-03 -4.4383000000e-03 -6.9665000000e-03  7.7953000000e-03  2.0200000000e-03  7.3476000000e-03 -3.4658000000e-03  1.0608000000e-03 -8.0700000000e-05 -2.4799000000e-03 -3.4589000000e-03  4.5359000000e-03  3.0609000000e-03 -3.6170000000e-04 -6.0809000000e-03  1.0869000000e-03  5.1781000000e-03  1.2446000000e-03
-
-JOB 16
-COORDS -6.9669600000e-01 -1.2852400000e+00 -1.0796800000e-01 -8.5093000000e-02 -5.5004400000e-01 -1.4871200000e-01 -3.5618500000e-01 -1.8421650000e+00  5.9211700000e-01  6.9353500000e-01  1.2434930000e+00  4.0297000000e-02  6.2707400000e-01  1.6284540000e+00  9.1415000000e-01 -1.8495800000e-01  1.3334330000e+00 -3.2901600000e-01
-ENERGY -1.526588375070e+02
-FORCES  8.9448000000e-03  5.0942000000e-03  3.3670000000e-03 -9.1874000000e-03 -2.6430000000e-03 -3.0680000000e-03 -1.2815000000e-03  1.8839000000e-03 -1.9206000000e-03 -4.5349000000e-03  3.5651000000e-03  3.6062000000e-03  3.4430000000e-04 -1.8204000000e-03 -4.4017000000e-03  5.7146000000e-03 -6.0798000000e-03  2.4171000000e-03
-
-JOB 17
-COORDS -1.2843690000e+00 -4.0641600000e-01 -3.2449300000e-01 -1.1968880000e+00 -1.1616730000e+00  2.5702700000e-01 -2.0414120000e+00 -6.1221300000e-01 -8.7291500000e-01  1.3484460000e+00  5.1050300000e-01  2.6862600000e-01  1.7469460000e+00  3.1381200000e-01  1.1164130000e+00  5.4702100000e-01 -1.2666000000e-02  2.5299700000e-01
-ENERGY -1.526555197213e+02
-FORCES -2.6830000000e-03 -1.5106000000e-03 -2.7488000000e-03  3.8575000000e-03  5.8327000000e-03 -2.4286000000e-03  2.6881000000e-03  1.6870000000e-04  3.5134000000e-03 -6.7754000000e-03 -1.5154000000e-03 -7.5720000000e-04 -2.9308000000e-03 -3.5920000000e-04 -3.0566000000e-03  5.8435000000e-03 -2.6161000000e-03  5.4779000000e-03
-
-JOB 18
-COORDS -6.5993900000e-01 -1.2747470000e+00 -4.1042900000e-01 -2.3621300000e-01 -1.1786300000e+00 -1.2633360000e+00 -6.2540400000e-01 -3.9914000000e-01 -2.5264000000e-02  6.2651200000e-01  1.1610300000e+00  3.9585600000e-01  9.6337700000e-01  2.0208890000e+00  1.4406800000e-01  4.0407800000e-01  1.2523230000e+00  1.3223660000e+00
-ENERGY -1.526582937932e+02
-FORCES  6.9281000000e-03  1.0061400000e-02 -1.2573000000e-03 -2.0115000000e-03 -1.8355000000e-03  1.3596000000e-03 -4.6731000000e-03 -5.4324000000e-03  2.2693000000e-03  1.2395000000e-03  2.3168000000e-03  1.4679000000e-03 -9.5600000000e-04 -4.1576000000e-03  1.8135000000e-03 -5.2700000000e-04 -9.5270000000e-04 -5.6531000000e-03
-
-JOB 19
-COORDS  5.2585700000e-01  9.2429300000e-01 -8.8569200000e-01 -8.7399000000e-02  1.3476020000e+00 -1.4864900000e+00  1.3799840000e+00  1.0214740000e+00 -1.3067080000e+00 -5.1759200000e-01 -1.0098860000e+00  9.5326200000e-01 -1.0390940000e+00 -5.1763700000e-01  1.5872640000e+00 -4.5908800000e-01 -4.3334000000e-01  1.9141900000e-01
-ENERGY -1.526591535677e+02
-FORCES  4.2034000000e-03  1.0760000000e-04 -1.9776000000e-03  2.2509000000e-03 -3.2015000000e-03  3.8275000000e-03 -4.5086000000e-03  1.1303000000e-03  8.8350000000e-04  3.1287000000e-03  8.4575000000e-03 -4.5233000000e-03  1.3725000000e-03 -1.2746000000e-03 -2.3870000000e-03 -6.4470000000e-03 -5.2193000000e-03  4.1769000000e-03
-
-JOB 20
-COORDS  1.2591130000e+00 -3.6250200000e-01  7.1072500000e-01  4.3281600000e-01 -9.8206000000e-02  3.0623400000e-01  1.0411860000e+00 -5.0276600000e-01  1.6321730000e+00 -1.1944000000e+00  3.1406800000e-01 -6.8336700000e-01 -1.4405740000e+00  1.2390380000e+00 -6.7552500000e-01 -1.1214070000e+00  9.3018000000e-02 -1.6118280000e+00
-ENERGY -1.526621393216e+02
-FORCES -1.0015100000e-02  1.5552000000e-03 -2.3066000000e-03  9.6315000000e-03 -1.8957000000e-03  5.0257000000e-03  2.1320000000e-04  9.1370000000e-04 -2.8160000000e-03 -6.6770000000e-04  2.1870000000e-03 -4.3264000000e-03  1.4359000000e-03 -4.7604000000e-03 -2.5990000000e-04 -5.9780000000e-04  2.0001000000e-03  4.6833000000e-03
-
-JOB 21
-COORDS  3.9734300000e-01  7.7869700000e-01  1.1203480000e+00  5.2906700000e-01  1.2732510000e+00  3.1146100000e-01  4.8194600000e-01  1.4302300000e+00  1.8164640000e+00 -4.0373900000e-01 -8.7776300000e-01 -1.1801990000e+00 -8.6845200000e-01 -8.4826000000e-02 -9.1275900000e-01 -4.0864000000e-02 -1.2290420000e+00 -3.6708300000e-01
-ENERGY -1.526575900580e+02
-FORCES  2.3547000000e-03  4.2326000000e-03 -5.1910000000e-04 -3.2210000000e-03 -2.2959000000e-03  3.8708000000e-03 -3.5200000000e-04 -2.5613000000e-03 -3.8167000000e-03 -5.1810000000e-04  1.7549000000e-03  9.3389000000e-03  2.7369000000e-03 -1.3340000000e-04 -3.4808000000e-03 -1.0004000000e-03 -9.9690000000e-04 -5.3930000000e-03
-
-JOB 22
-COORDS -1.6900700000e-01 -6.3498300000e-01 -1.2761260000e+00 -3.9645800000e-01 -1.4482890000e+00 -1.7267150000e+00 -9.9599200000e-01 -3.2640000000e-01 -9.0585000000e-01  1.7804400000e-01  7.0019800000e-01  1.2853460000e+00  7.7856900000e-01  5.7109500000e-01  5.5122500000e-01  5.1093900000e-01  1.2253300000e-01  1.9721620000e+00
-ENERGY -1.526590620870e+02
-FORCES -5.0711000000e-03 -7.9300000000e-04  2.1727000000e-03  2.2690000000e-04  3.0916000000e-03  2.6231000000e-03  3.4286000000e-03 -2.1964000000e-03 -4.4155000000e-03  4.7057000000e-03 -5.4856000000e-03 -3.5946000000e-03 -2.0534000000e-03  3.2669000000e-03  5.4579000000e-03 -1.2367000000e-03  2.1165000000e-03 -2.2437000000e-03
-
-JOB 23
-COORDS -1.8216200000e-01 -1.4229780000e+00  1.5574100000e-01  2.5483300000e-01 -1.6142040000e+00  9.8562100000e-01 -1.1086050000e+00 -1.3472710000e+00  3.8422200000e-01  1.6980000000e-01  1.4604360000e+00 -2.5583300000e-01  2.8318600000e-01  5.1822600000e-01 -1.3087500000e-01  7.5934900000e-01  1.8600040000e+00  3.8370600000e-01
-ENERGY -1.526605526935e+02
-FORCES -4.5631000000e-03 -2.3603000000e-03  3.9339000000e-03 -1.7861000000e-03  3.0768000000e-03 -4.2956000000e-03  5.4895000000e-03 -4.0490000000e-04 -6.4020000000e-04  1.6934000000e-03 -8.7974000000e-03  1.6867000000e-03  1.1635000000e-03  1.1068100000e-02  7.9480000000e-04 -1.9971000000e-03 -2.5824000000e-03 -1.4797000000e-03
-
-JOB 24
-COORDS -7.1079800000e-01  1.1475630000e+00  4.5183700000e-01 -5.6065100000e-01  1.9447070000e+00 -5.6345000000e-02 -3.6741100000e-01  1.3495630000e+00  1.3221890000e+00  6.7346700000e-01 -1.2662860000e+00 -4.6609700000e-01  1.3216690000e+00 -8.0653200000e-01 -9.9966400000e-01  2.3383300000e-01 -5.7369300000e-01  2.7124000000e-02
-ENERGY -1.526597611564e+02
-FORCES  6.5280000000e-04  5.0155000000e-03 -5.4500000000e-04 -2.7080000000e-04 -3.5355000000e-03  3.2114000000e-03 -5.0550000000e-04 -2.3464000000e-03 -5.3868000000e-03 -3.8249000000e-03  1.0395400000e-02  1.0578000000e-03 -1.5774000000e-03 -1.4409000000e-03  1.3637000000e-03  5.5257000000e-03 -8.0881000000e-03  2.9900000000e-04
-
-JOB 25
-COORDS -1.4732070000e+00  3.2833900000e-01  2.1242700000e-01 -1.3872830000e+00  9.2129600000e-01 -5.3406600000e-01 -6.2480600000e-01 -1.1131400000e-01  2.6858100000e-01  1.3720370000e+00 -2.9773700000e-01 -1.9817800000e-01  1.5384180000e+00 -1.2197970000e+00 -3.9402300000e-01  2.0596090000e+00 -5.6361000000e-02  4.2247800000e-01
-ENERGY -1.526608409190e+02
-FORCES  1.0758700000e-02  2.0230000000e-04 -3.8768000000e-03 -1.8159000000e-03 -1.1846000000e-03  2.1127000000e-03 -8.7084000000e-03 -7.6830000000e-04  1.9144000000e-03  4.5126000000e-03 -1.1200000000e-03  1.3489000000e-03 -1.6868000000e-03  4.7684000000e-03  1.8333000000e-03 -3.0602000000e-03 -1.8979000000e-03 -3.3324000000e-03
-
-JOB 26
-COORDS -1.3727560000e+00 -4.2030000000e-03 -3.1734100000e-01 -1.7752640000e+00 -6.1165300000e-01 -9.3800400000e-01 -1.9392830000e+00  7.6714400000e-01 -3.3475300000e-01  1.4812970000e+00  3.6970000000e-02  3.5046800000e-01  1.3219360000e+00 -6.4219800000e-01  1.0058810000e+00  7.3459100000e-01 -2.4480000000e-02 -2.4525600000e-01
-ENERGY -1.526597505220e+02
-FORCES -4.0823000000e-03  2.7011000000e-03 -5.6850000000e-04  2.8616000000e-03  3.0221000000e-03  2.9778000000e-03  1.7308000000e-03 -4.4016000000e-03 -5.0750000000e-04 -1.0705000000e-02 -2.1662000000e-03 -8.3700000000e-05  1.8121000000e-03  1.6298000000e-03 -1.6541000000e-03  8.3828000000e-03 -7.8520000000e-04 -1.6400000000e-04
-
-JOB 27
-COORDS -6.7415900000e-01  1.0824480000e+00  7.5335800000e-01 -3.9907000000e-01  1.8954000000e-01  9.6138100000e-01 -2.4591200000e-01  1.6257710000e+00  1.4148990000e+00  6.3506700000e-01 -1.0052540000e+00 -7.6549500000e-01  1.3141380000e+00 -1.3079590000e+00 -1.3683750000e+00 -4.8661000000e-02 -1.6729730000e+00 -8.1934100000e-01
-ENERGY -1.526543915543e+02
-FORCES  6.3739000000e-03 -4.5028000000e-03 -2.7670000000e-04 -4.9867000000e-03  2.9760000000e-03  2.5715000000e-03 -1.2294000000e-03 -1.9173000000e-03 -2.7253000000e-03 -4.9900000000e-05 -1.4370000000e-03 -4.1673000000e-03 -3.2190000000e-03  1.3510000000e-03  2.3512000000e-03  3.1111000000e-03  3.5301000000e-03  2.2466000000e-03
-
-JOB 28
-COORDS -9.3351900000e-01  7.1417000000e-01 -9.6825600000e-01 -3.4579300000e-01  5.7023500000e-01 -1.7099390000e+00 -7.6391400000e-01 -2.2569000000e-02 -3.8116000000e-01  9.0491800000e-01 -7.1071900000e-01  9.5235600000e-01  1.3957150000e+00  1.1065100000e-01  9.7883200000e-01  9.5036000000e-02 -5.2173700000e-01  1.4262840000e+00
-ENERGY -1.526563946018e+02
-FORCES  7.3236000000e-03 -7.0844000000e-03  2.1520000000e-04 -2.4511000000e-03  1.8535000000e-03  1.9431000000e-03 -5.1403000000e-03  4.0302000000e-03  1.5879000000e-03  4.9710000000e-04  6.9769000000e-03  2.9513000000e-03 -1.6546000000e-03 -4.6066000000e-03 -1.0000000000e-07  1.4253000000e-03 -1.1696000000e-03 -6.6974000000e-03
-
-JOB 29
-COORDS  6.9000000000e-02 -1.0373140000e+00  1.1526570000e+00  1.1727200000e-01 -1.3077420000e+00  2.3572200000e-01  4.2289700000e-01 -1.4796500000e-01  1.1595220000e+00 -8.0057000000e-02  9.4307200000e-01 -1.1228830000e+00  4.9995400000e-01  1.6942740000e+00 -9.9832700000e-01 -9.0778300000e-01  1.2100880000e+00 -7.2312900000e-01
-ENERGY -1.526574097797e+02
-FORCES  2.2984000000e-03  5.3906000000e-03 -9.0899000000e-03 -8.1340000000e-04 -2.5675000000e-03  4.6206000000e-03 -1.0618000000e-03 -1.6541000000e-03  3.6342000000e-03 -2.6797000000e-03  3.9217000000e-03  1.1621000000e-03 -2.4952000000e-03 -4.1545000000e-03  1.1621000000e-03  4.7518000000e-03 -9.3620000000e-04 -1.4891000000e-03
-
-JOB 30
-COORDS  1.1383140000e+00  9.2153100000e-01  1.2081900000e-01  1.8961970000e+00  6.9314700000e-01 -4.1740600000e-01  7.1220200000e-01  1.6345010000e+00 -3.5492800000e-01 -1.2030960000e+00 -9.1713300000e-01 -1.0557000000e-01 -2.4778200000e-01 -9.2746600000e-01 -1.6473800000e-01 -1.4010520000e+00 -1.4392600000e+00  6.7188000000e-01
-ENERGY -1.526575295124e+02
-FORCES -1.2459000000e-03  5.3056000000e-03 -3.2732000000e-03 -4.8261000000e-03 -9.8070000000e-04  2.2439000000e-03  3.5733000000e-03 -2.7919000000e-03  1.9057000000e-03  6.8578000000e-03  1.9496000000e-03  4.1080000000e-03 -5.2506000000e-03 -5.2747000000e-03 -2.2479000000e-03  8.9150000000e-04  1.7920000000e-03 -2.7364000000e-03
-
-JOB 31
-COORDS -1.3625770000e+00 -2.1176900000e-01  5.2365200000e-01 -1.9964280000e+00  4.8793500000e-01  6.8138000000e-01 -1.5806380000e+00 -5.4106200000e-01 -3.4827000000e-01  1.4417970000e+00  2.3486300000e-01 -5.0521400000e-01  5.1059800000e-01  3.0354000000e-02 -5.9051200000e-01  1.8013810000e+00 -4.9155500000e-01  3.9500000000e-03
-ENERGY -1.526560623216e+02
-FORCES -4.8500000000e-03  3.0982000000e-03 -1.2690000000e-04  2.4372000000e-03 -3.9225000000e-03 -9.7170000000e-04  5.6744000000e-03  2.9112000000e-03  3.4122000000e-03 -6.7116000000e-03 -3.3655000000e-03  6.4830000000e-03  3.6747000000e-03 -1.0342000000e-03 -6.3109000000e-03 -2.2460000000e-04  2.3128000000e-03 -2.4858000000e-03
-
-JOB 32
-COORDS -6.2697000000e-02 -1.4157600000e-01  1.5448050000e+00  3.3057200000e-01  6.8320700000e-01  1.8299410000e+00  4.9528000000e-02 -1.4497400000e-01  5.9421300000e-01  6.9306000000e-02  5.1674000000e-02 -1.4737820000e+00  2.4087900000e-01  9.8241400000e-01 -1.6170190000e+00 -7.5607200000e-01 -1.1314200000e-01 -1.9296540000e+00
-ENERGY -1.526607883248e+02
-FORCES  2.1134000000e-03  1.9791000000e-03 -8.2063000000e-03 -1.3368000000e-03 -2.2258000000e-03 -1.5444000000e-03 -3.9930000000e-04  7.1880000000e-04  1.0619200000e-02 -3.6442000000e-03  2.6062000000e-03 -4.6744000000e-03 -1.0402000000e-03 -4.5498000000e-03  2.0016000000e-03  4.3070000000e-03  1.4715000000e-03  1.8044000000e-03
-
-JOB 33
-COORDS  3.0291200000e-01  1.4684490000e+00  1.0264300000e-01  8.4231200000e-01  1.3304760000e+00  8.8125900000e-01 -5.7393400000e-01  1.6408990000e+00  4.4562100000e-01 -2.3435800000e-01 -1.4908720000e+00 -1.2475600000e-01 -9.2893500000e-01 -1.9896510000e+00 -5.5488900000e-01 -3.1102600000e-01 -6.0914900000e-01 -4.8933400000e-01
-ENERGY -1.526595328519e+02
-FORCES  8.9160000000e-04  7.8580000000e-04  7.3224000000e-03 -2.7389000000e-03  1.8924000000e-03 -3.5841000000e-03  3.5635000000e-03 -2.3583000000e-03 -2.8874000000e-03 -9.2800000000e-05  5.0501000000e-03 -3.2069000000e-03  2.1312000000e-03  3.1957000000e-03  1.5265000000e-03 -3.7547000000e-03 -8.5656000000e-03  8.2950000000e-04
-
-JOB 34
-COORDS  7.8715700000e-01  1.2612450000e+00  3.1406800000e-01  1.6066990000e+00  1.4599810000e+00 -1.3879900000e-01  9.7819800000e-01  4.7185400000e-01  8.2062200000e-01 -8.9734800000e-01 -1.2564750000e+00 -3.5174800000e-01 -4.2951900000e-01 -1.5417800000e+00  4.3308900000e-01 -5.1838600000e-01 -4.0248600000e-01 -5.5989000000e-01
-ENERGY -1.526562884673e+02
-FORCES  6.0406000000e-03 -7.0600000000e-05  1.9789000000e-03 -4.2558000000e-03 -1.4936000000e-03  2.1573000000e-03 -3.0799000000e-03  1.4327000000e-03 -4.3329000000e-03  3.3768000000e-03  5.9584000000e-03  1.9921000000e-03 -2.2280000000e-04  2.0277000000e-03 -2.3879000000e-03 -1.8588000000e-03 -7.8546000000e-03  5.9250000000e-04
-
-JOB 35
-COORDS -5.4148200000e-01 -1.6714900000e-01  1.4033530000e+00 -4.0793300000e-01  7.7958700000e-01  1.3576630000e+00 -1.4922230000e+00 -2.7657600000e-01  1.3846720000e+00  6.3869700000e-01  1.4793400000e-01 -1.4389930000e+00  4.4252400000e-01 -7.5643500000e-01 -1.1943170000e+00 -4.2920000000e-02  6.6570400000e-01 -1.0105730000e+00
-ENERGY -1.526548450346e+02
-FORCES -1.7260000000e-03  3.8139000000e-03  2.1052000000e-03 -1.6162000000e-03 -4.3681000000e-03 -2.1393000000e-03  4.8837000000e-03  5.5640000000e-04 -1.6774000000e-03 -4.5872000000e-03 -4.1592000000e-03  7.8067000000e-03  1.2770000000e-03  2.3884000000e-03 -4.2160000000e-03  1.7686000000e-03  1.7685000000e-03 -1.8793000000e-03
-
-JOB 36
-COORDS -8.0002200000e-01  8.7828000000e-01  9.3235800000e-01 -1.3420790000e+00  1.3876050000e+00  3.2986700000e-01 -1.3374580000e+00  1.1796000000e-01  1.1544140000e+00  8.5613500000e-01 -9.3008500000e-01 -9.0437000000e-01  8.4158700000e-01 -2.8952000000e-01 -1.9324700000e-01  1.0325180000e+00 -4.1251000000e-01 -1.6900150000e+00
-ENERGY -1.526592874492e+02
-FORCES -6.3639000000e-03 -2.0853000000e-03 -2.5526000000e-03  2.4544000000e-03 -1.9707000000e-03  2.6312000000e-03  2.5993000000e-03  4.0065000000e-03 -5.3660000000e-04 -1.4366000000e-03  7.5505000000e-03  2.7009000000e-03  3.7394000000e-03 -5.8147000000e-03 -4.7335000000e-03 -9.9260000000e-04 -1.6863000000e-03  2.4906000000e-03
-
-JOB 37
-COORDS  4.0183900000e-01 -8.8189400000e-01  1.2514540000e+00  1.1434630000e+00 -7.0679800000e-01  6.7217300000e-01 -3.5104900000e-01 -9.4817600000e-01  6.6408700000e-01 -3.9991900000e-01  9.4206700000e-01 -1.1552100000e+00  7.4292000000e-02  6.0218600000e-01 -1.9140490000e+00 -9.0348200000e-01  1.9474800000e-01 -8.3245400000e-01
-ENERGY -1.526496406754e+02
-FORCES  9.6250000000e-04  4.5537000000e-03 -6.5383000000e-03 -2.2047000000e-03 -2.9323000000e-03  2.7114000000e-03 -1.9200000000e-04  1.1681000000e-03 -1.2220000000e-03 -9.8760000000e-04 -3.5423000000e-03 -1.5232000000e-03 -1.3554000000e-03  1.1009000000e-03  4.7189000000e-03  3.7772000000e-03 -3.4800000000e-04  1.8532000000e-03
-
-JOB 38
-COORDS  1.1365210000e+00  9.6758200000e-01 -3.6157600000e-01  6.3987700000e-01  1.5177670000e+00 -9.6727700000e-01  1.3333760000e+00  1.7612300000e-01 -8.6264800000e-01 -1.1458640000e+00 -1.0230080000e+00  4.2638100000e-01 -4.5408800000e-01 -7.0925400000e-01 -1.5605900000e-01 -1.4021460000e+00 -2.5165300000e-01  9.3191300000e-01
-ENERGY -1.526550095169e+02
-FORCES  1.7502000000e-03  1.0508000000e-03 -4.8853000000e-03  1.3934000000e-03 -3.7573000000e-03  3.7219000000e-03 -5.3239000000e-03  2.3090000000e-03  3.8924000000e-03  5.1269000000e-03  8.5636000000e-03  1.4304000000e-03 -1.5358000000e-03 -4.6794000000e-03 -2.6274000000e-03 -1.4108000000e-03 -3.4867000000e-03 -1.5319000000e-03
-
-JOB 39
-COORDS  1.4359770000e+00 -2.0216700000e-01 -4.5786100000e-01  2.1989800000e+00  1.4701200000e-01  2.7170000000e-03  1.6872290000e+00 -1.0944810000e+00 -6.9635600000e-01 -1.5286720000e+00  2.0889700000e-01  3.9246800000e-01 -6.3073300000e-01  5.4022000000e-01  3.7971700000e-01 -1.8325120000e+00  3.7338100000e-01  1.2851370000e+00
-ENERGY -1.526582483678e+02
-FORCES  3.8954000000e-03 -5.1465000000e-03 -9.0410000000e-04 -4.2778000000e-03 -1.2688000000e-03 -1.3052000000e-03  5.7430000000e-04  4.2587000000e-03  1.0173000000e-03  5.8044000000e-03  8.8710000000e-04  1.2546000000e-03 -7.7505000000e-03  1.9258000000e-03  3.0360000000e-03  1.7543000000e-03 -6.5630000000e-04 -3.0987000000e-03
-
-JOB 40
-COORDS -6.3564800000e-01  5.0787100000e-01  1.3217080000e+00  2.7461800000e-01  6.4302000000e-01  1.5851140000e+00 -1.0945750000e+00  3.0866800000e-01  2.1377570000e+00  6.8015200000e-01 -4.8123200000e-01 -1.3800830000e+00 -9.9920000000e-03 -3.8873200000e-01 -7.2329100000e-01  2.6405000000e-01 -9.5480800000e-01 -2.1003720000e+00
-ENERGY -1.526603462820e+02
-FORCES  1.5956000000e-03  8.6520000000e-04  6.3600000000e-03 -4.9725000000e-03 -1.2269000000e-03 -1.0994000000e-03  2.4211000000e-03  1.2879000000e-03 -3.0720000000e-03 -5.8244000000e-03 -3.5650000000e-04  1.7434000000e-03  5.6606000000e-03 -2.1263000000e-03 -6.6747000000e-03  1.1196000000e-03  1.5567000000e-03  2.7427000000e-03
-
-JOB 41
-COORDS  3.3956800000e-01 -1.5428810000e+00  1.3250200000e-01  1.1857390000e+00 -1.9825800000e+00  2.1551400000e-01  2.6135100000e-01 -1.0202860000e+00  9.3063000000e-01 -4.4495900000e-01  1.5411330000e+00 -1.7307200000e-01  1.8322900000e-01  9.8640200000e-01  2.8940500000e-01  8.8493000000e-02  2.0511660000e+00 -7.8260100000e-01
-ENERGY -1.526519805149e+02
-FORCES  1.5470000000e-03 -1.9274000000e-03  3.8705000000e-03 -3.9058000000e-03  2.7262000000e-03 -8.1760000000e-04  1.9068000000e-03  1.6775000000e-03 -5.2175000000e-03  5.5383000000e-03 -2.8058000000e-03 -3.2755000000e-03 -2.7698000000e-03  1.7957000000e-03  2.8553000000e-03 -2.3165000000e-03 -1.4662000000e-03  2.5848000000e-03
-
-JOB 42
-COORDS -1.1494800000e+00  1.0561300000e+00  4.2135400000e-01 -1.7049340000e+00  9.2997900000e-01  1.1906320000e+00 -7.4237600000e-01  2.0199200000e-01  2.7662300000e-01  1.1852000000e+00 -1.0422540000e+00 -4.1103500000e-01  3.9654700000e-01 -1.1998120000e+00 -9.3010500000e-01  1.4685720000e+00 -1.6410900000e-01 -6.6557800000e-01
-ENERGY -1.526567033393e+02
-FORCES  9.9050000000e-04 -4.7471000000e-03  4.2570000000e-03  2.0860000000e-03  3.1790000000e-04 -3.1811000000e-03 -4.3485000000e-03  4.2150000000e-03 -3.0606000000e-03  1.9689000000e-03  2.6114000000e-03 -5.6260000000e-03  1.5296000000e-03  2.5898000000e-03  5.9385000000e-03 -2.2264000000e-03 -4.9869000000e-03  1.6723000000e-03
-
-JOB 43
-COORDS  1.2741730000e+00  9.7213900000e-01  6.7550000000e-03  4.4348000000e-01  1.1575110000e+00 -4.3121600000e-01  1.3936280000e+00  1.7025090000e+00  6.1381500000e-01 -1.2750290000e+00 -1.0297740000e+00 -7.1258000000e-02 -1.4025210000e+00 -6.3125800000e-01  7.8965000000e-01 -3.9722600000e-01 -1.4094800000e+00 -3.2327000000e-02
-ENERGY -1.526579915163e+02
-FORCES -3.3978000000e-03  3.9954000000e-03 -9.3010000000e-04  5.1483000000e-03  5.0280000000e-04  2.8880000000e-03 -1.2237000000e-03 -3.2549000000e-03 -2.1820000000e-03  5.1453000000e-03 -1.0720000000e-03  4.9539000000e-03 -4.7320000000e-04 -6.8350000000e-04 -3.7979000000e-03 -5.1988000000e-03  5.1230000000e-04 -9.3190000000e-04
-
-JOB 44
-COORDS -6.7445700000e-01 -9.5159300000e-01  1.1598040000e+00 -5.0413800000e-01 -3.3937100000e-01  4.4397700000e-01 -1.3411620000e+00 -1.5452310000e+00  8.1436300000e-01  7.3994300000e-01  8.9443100000e-01 -1.1217930000e+00  2.5509000000e-02  1.2734420000e+00 -1.6338140000e+00  7.8917000000e-01  1.4408060000e+00 -3.3739300000e-01
-ENERGY -1.526577091156e+02
-FORCES  4.2140000000e-04 -2.6500000000e-05 -6.9511000000e-03 -4.0629000000e-03 -1.3289000000e-03  7.2703000000e-03  2.1666000000e-03  2.3948000000e-03  1.2061000000e-03  1.3020000000e-03  6.6418000000e-03 -1.5618000000e-03  2.6026000000e-03 -2.9854000000e-03  3.5643000000e-03 -2.4298000000e-03 -4.6959000000e-03 -3.5277000000e-03
-
-JOB 45
-COORDS -1.1778020000e+00 -9.9117600000e-01 -5.6925400000e-01 -4.6580700000e-01 -1.3394050000e+00 -1.1059390000e+00 -1.3656660000e+00 -1.3229100000e-01 -9.4774500000e-01  1.1844070000e+00  9.0921300000e-01  6.4361500000e-01  3.5383600000e-01  8.6171500000e-01  1.7019500000e-01  1.3343310000e+00  1.8458630000e+00  7.7184200000e-01
-ENERGY -1.526541314667e+02
-FORCES  1.4478000000e-03 -1.3163000000e-03 -4.7329000000e-03 -3.9126000000e-03  2.3211000000e-03  2.3708000000e-03  3.5511000000e-03 -1.9953000000e-03  4.1163000000e-03 -3.8885000000e-03  1.6660000000e-03 -2.6900000000e-05  4.0859000000e-03  3.3822000000e-03 -8.4580000000e-04 -1.2836000000e-03 -4.0577000000e-03 -8.8160000000e-04
-
-JOB 46
-COORDS  6.6859700000e-01 -8.6277400000e-01 -1.2444720000e+00  1.2534490000e+00 -9.9765600000e-01 -4.9882600000e-01 -1.4392000000e-01 -1.3029410000e+00 -9.9486800000e-01 -6.9140300000e-01  9.4144500000e-01  1.1704770000e+00 -1.7757900000e-01  3.2383100000e-01  6.5012200000e-01 -5.4352300000e-01  6.7252500000e-01  2.0771440000e+00
-ENERGY -1.526546376623e+02
-FORCES  1.9780000000e-04 -5.1975000000e-03  2.9300000000e-05 -5.2553000000e-03  2.9675000000e-03 -1.7558000000e-03  4.6840000000e-03  3.9676000000e-03  6.9040000000e-04  3.1551000000e-03 -2.2373000000e-03 -6.5720000000e-04 -2.6890000000e-03  1.5530000000e-04  6.0527000000e-03 -9.2600000000e-05  3.4440000000e-04 -4.3595000000e-03
-
-JOB 47
-COORDS  3.8782000000e-02  6.1308500000e-01 -1.5870700000e+00 -1.4140100000e-01  1.5450000000e-02 -8.6139900000e-01 -1.6704500000e-01  1.0597000000e-01 -2.3723730000e+00 -1.4710000000e-03 -5.8426900000e-01  1.5392690000e+00  3.4792600000e-01  2.3502000000e-01  1.8898680000e+00 -6.7038700000e-01 -8.4950200000e-01  2.1704860000e+00
-ENERGY -1.526597924995e+02
-FORCES -1.3214000000e-03 -5.3266000000e-03  1.9725000000e-03  6.2450000000e-04  4.2433000000e-03 -7.5623000000e-03  5.2910000000e-04  1.6625000000e-03  2.9086000000e-03 -8.8120000000e-04  2.2159000000e-03  6.5176000000e-03 -2.0694000000e-03 -4.0763000000e-03 -1.3919000000e-03  3.1185000000e-03  1.2813000000e-03 -2.4445000000e-03
-
-JOB 48
-COORDS -2.9642600000e-01 -1.7063430000e+00 -2.8523000000e-01 -3.4559900000e-01 -1.4475880000e+00  6.3502000000e-01 -8.8718200000e-01 -1.1030260000e+00 -7.3606000000e-01  3.7015200000e-01  1.7015110000e+00  2.2726200000e-01  6.2312700000e-01  1.1215060000e+00  9.4547500000e-01 -5.4159700000e-01  1.4741280000e+00  4.4934000000e-02
-ENERGY -1.526517141931e+02
-FORCES -2.0515000000e-03  3.4842000000e-03  7.9840000000e-04  5.1160000000e-04  2.1320000000e-04 -3.5765000000e-03  1.7943000000e-03 -1.9986000000e-03  2.8099000000e-03 -1.4321000000e-03 -3.7535000000e-03  1.7954000000e-03 -2.1115000000e-03  2.2844000000e-03 -2.3572000000e-03  3.2892000000e-03 -2.2970000000e-04  5.3000000000e-04
-
-JOB 49
-COORDS  6.8254200000e-01 -1.1670480000e+00  1.0827520000e+00  6.7720000000e-01 -9.3212600000e-01  2.0106600000e+00  7.2148600000e-01 -2.1234420000e+00  1.0775470000e+00 -6.4103600000e-01  1.2415570000e+00 -1.1641730000e+00 -1.5490740000e+00  1.4790140000e+00 -9.7625900000e-01 -5.2686600000e-01  3.8497400000e-01 -7.5251400000e-01
-ENERGY -1.526580014973e+02
-FORCES  1.8640000000e-03 -3.3249000000e-03  5.3423000000e-03 -1.6360000000e-04 -1.6545000000e-03 -3.8995000000e-03 -4.1850000000e-04  4.2583000000e-03  1.4820000000e-04 -1.6579000000e-03 -3.9265000000e-03  3.6101000000e-03  3.2687000000e-03 -7.6040000000e-04 -6.0230000000e-04 -2.8927000000e-03  5.4081000000e-03 -4.5988000000e-03
-
-JOB 50
-COORDS -8.9673700000e-01 -1.0672600000e+00  1.1730390000e+00 -7.2260700000e-01 -1.2541740000e+00  2.0955210000e+00 -9.2262600000e-01 -1.1174500000e-01  1.1225140000e+00  9.0392300000e-01  1.0250730000e+00 -1.1652600000e+00  1.4568010000e+00  9.0510300000e-01 -1.9373770000e+00  1.8139000000e-02  1.1167950000e+00 -1.5162670000e+00
-ENERGY -1.526544458000e+02
-FORCES  2.5048000000e-03  3.8637000000e-03  3.1341000000e-03 -8.5130000000e-04  5.2900000000e-04 -3.5520000000e-03 -2.0735000000e-03 -3.9506000000e-03  4.1390000000e-04 -7.0330000000e-04 -1.6249000000e-03 -5.3868000000e-03 -2.2109000000e-03  8.8820000000e-04  2.9697000000e-03  3.3342000000e-03  2.9460000000e-04  2.4211000000e-03
-
-JOB 51
-COORDS  4.4499600000e-01 -1.7804300000e+00 -2.4371300000e-01  6.0865900000e-01 -2.4890310000e+00  3.7864600000e-01  3.7550000000e-01 -9.9529400000e-01  2.9939200000e-01 -4.2809100000e-01  1.8232780000e+00  1.3002800000e-01 -1.3166960000e+00  1.7260560000e+00  4.7231400000e-01  7.8632000000e-02  1.1492440000e+00  5.8295400000e-01
-ENERGY -1.526510075713e+02
-FORCES  5.2230000000e-04 -3.4830000000e-04  4.2356000000e-03 -9.0110000000e-04  3.3374000000e-03 -2.8612000000e-03  4.3050000000e-04 -9.8980000000e-04 -7.3060000000e-04 -2.2945000000e-03 -1.9379000000e-03  2.8151000000e-03  4.3393000000e-03  3.9450000000e-04 -1.2876000000e-03 -2.0965000000e-03 -4.5590000000e-04 -2.1712000000e-03
-
-JOB 52
-COORDS -1.0262020000e+00  1.2203660000e+00  9.7960400000e-01 -8.5610700000e-01  7.0380200000e-01  1.9191100000e-01 -8.4367200000e-01  2.1230470000e+00  7.1867800000e-01  1.0333120000e+00 -1.1975640000e+00 -8.8425500000e-01  7.3424400000e-01 -1.0642480000e+00 -1.7837090000e+00  8.9684200000e-01 -2.1309590000e+00 -7.2183100000e-01
-ENERGY -1.526559778460e+02
-FORCES  3.3906000000e-03  1.0110000000e-04 -4.3851000000e-03 -3.6429000000e-03  4.0940000000e-03  2.8994000000e-03 -9.5740000000e-04 -3.3166000000e-03  8.6940000000e-04  3.2330000000e-04 -5.4941000000e-03 -2.8241000000e-03  2.9110000000e-04  4.6580000000e-04  4.6383000000e-03  5.9530000000e-04  4.1499000000e-03 -1.1979000000e-03
-
-JOB 53
-COORDS -1.5580580000e+00 -1.0296120000e+00  3.8966800000e-01 -1.4650640000e+00 -1.5462390000e+00 -4.1075600000e-01 -6.6282400000e-01 -9.2108000000e-01  7.1061900000e-01  1.5052400000e+00  9.9534000000e-01 -3.3099500000e-01  1.0149570000e+00  1.1437270000e+00 -1.1395960000e+00  1.8324530000e+00  1.8609950000e+00 -8.6448000000e-02
-ENERGY -1.526567805782e+02
-FORCES  5.3586000000e-03 -1.1987000000e-03 -1.2062000000e-03 -6.5000000000e-04  2.2626000000e-03  2.6694000000e-03 -5.4906000000e-03 -1.9862000000e-03 -9.7240000000e-04 -4.9030000000e-04  5.5249000000e-03 -2.4408000000e-03  2.5089000000e-03 -1.0679000000e-03  3.2392000000e-03 -1.2366000000e-03 -3.5347000000e-03 -1.2892000000e-03
-
-JOB 54
-COORDS -9.0486200000e-01  1.6143450000e+00 -8.5556000000e-02 -1.3401740000e+00  1.9592730000e+00  6.9403400000e-01 -1.5832410000e+00  1.1118280000e+00 -5.3667700000e-01  1.0165970000e+00 -1.6118880000e+00  1.1021800000e-01  3.3364000000e-01 -2.2303680000e+00 -1.4917200000e-01  8.6541400000e-01 -8.4298400000e-01 -4.3947600000e-01
-ENERGY -1.526554200823e+02
-FORCES -5.1237000000e-03  5.2250000000e-04  3.0311000000e-03  1.3173000000e-03 -1.1198000000e-03 -3.7060000000e-03  3.6640000000e-03  1.2477000000e-03  1.4970000000e-03 -3.3047000000e-03  2.4525000000e-03 -2.8841000000e-03  2.3341000000e-03  2.4357000000e-03  9.7920000000e-04  1.1129000000e-03 -5.5386000000e-03  1.0828000000e-03
-
-JOB 55
-COORDS -1.8402120000e+00 -3.1729600000e-01  3.0714300000e-01 -2.3661750000e+00 -1.6249600000e-01 -4.7747900000e-01 -1.5607470000e+00  5.5511100000e-01  5.8469900000e-01  1.8953220000e+00  2.0055900000e-01 -2.8318100000e-01  2.0246210000e+00  1.0705160000e+00 -6.6092100000e-01  1.0706530000e+00  2.6803400000e-01  1.9806800000e-01
-ENERGY -1.526540267719e+02
-FORCES -3.3357000000e-03  3.4859000000e-03 -2.8257000000e-03  2.1003000000e-03 -4.2330000000e-04  3.7560000000e-03  1.2515000000e-03 -4.1351000000e-03 -1.5207000000e-03 -3.4361000000e-03  2.3675000000e-03  3.8010000000e-04 -9.4450000000e-04 -3.4188000000e-03  1.6069000000e-03  4.3646000000e-03  2.1238000000e-03 -1.3966000000e-03
-
-JOB 56
-COORDS  1.8201930000e+00 -4.2525000000e-01  1.1963200000e-01  2.5530130000e+00 -2.8504100000e-01  7.1925700000e-01  2.1775130000e+00 -2.2820000000e-01 -7.4623500000e-01 -1.9328820000e+00  3.5987200000e-01 -9.6599000000e-02 -1.0320470000e+00  3.0562700000e-01  2.2244000000e-01 -1.9765110000e+00  1.2015760000e+00 -5.5031900000e-01
-ENERGY -1.526572415440e+02
-FORCES  6.1984000000e-03  1.8390000000e-04 -1.1881000000e-03 -3.0438000000e-03 -4.7810000000e-04 -2.8212000000e-03 -1.5707000000e-03 -3.8630000000e-04  3.9411000000e-03  4.9212000000e-03  2.2956000000e-03 -3.5500000000e-05 -6.5523000000e-03  1.4692000000e-03 -1.3917000000e-03  4.7200000000e-05 -3.0842000000e-03  1.4955000000e-03
-
-JOB 57
-COORDS  7.7126100000e-01 -1.7475940000e+00 -6.9147100000e-01  1.7189830000e+00 -1.7881690000e+00 -8.1957000000e-01  6.4818100000e-01 -1.0746830000e+00 -2.1938000000e-02 -7.6771400000e-01  1.6784600000e+00  6.8215600000e-01 -7.7437600000e-01  2.3979790000e+00  5.0904000000e-02 -1.6878420000e+00  1.5554070000e+00  9.1551200000e-01
-ENERGY -1.526568232900e+02
-FORCES  2.7252000000e-03  3.7809000000e-03  2.7035000000e-03 -3.5390000000e-03  6.5000000000e-05  3.3160000000e-04  1.5115000000e-03 -5.0665000000e-03 -3.0489000000e-03 -4.6114000000e-03  3.3721000000e-03 -2.0031000000e-03 -4.9000000000e-05 -2.7797000000e-03  2.9010000000e-03  3.9626000000e-03  6.2820000000e-04 -8.8420000000e-04
-
-JOB 58
-COORDS -9.8350000000e-03 -2.5567000000e-01  1.9834760000e+00 -6.6595000000e-02 -3.3667200000e-01  2.9355520000e+00 -9.0014600000e-01 -4.2390300000e-01  1.6748060000e+00  6.3020000000e-02  2.0300900000e-01 -2.0163830000e+00  6.0443200000e-01  8.0809000000e-01 -2.5233170000e+00 -5.3817000000e-01  7.6797000000e-01 -1.5309730000e+00
-ENERGY -1.526536453123e+02
-FORCES -3.6575000000e-03 -1.9735000000e-03  2.5591000000e-03  3.3830000000e-04  3.8760000000e-04 -4.0023000000e-03  3.3787000000e-03  1.5922000000e-03  1.2801000000e-03  8.0080000000e-04  5.0734000000e-03  8.1610000000e-04 -2.3325000000e-03 -2.4652000000e-03  1.6825000000e-03  1.4722000000e-03 -2.6145000000e-03 -2.3355000000e-03
-
-JOB 59
-COORDS  2.4198800000e-01  1.8687750000e+00 -7.4070200000e-01 -6.7759600000e-01  2.0732980000e+00 -9.1031600000e-01  6.3741500000e-01  1.8026950000e+00 -1.6098990000e+00 -1.6705600000e-01 -1.8932010000e+00  8.1037600000e-01 -4.2882200000e-01 -1.3134660000e+00  9.5101000000e-02 -9.8673100000e-01 -2.1136510000e+00  1.2528310000e+00
-ENERGY -1.526545875923e+02
-FORCES -1.1331000000e-03  2.4563000000e-03 -4.3267000000e-03  3.7561000000e-03 -1.8505000000e-03  8.4860000000e-04 -2.0773000000e-03 -9.7300000000e-05  3.7907000000e-03 -3.7203000000e-03  2.8768000000e-03 -1.0469000000e-03  4.6800000000e-05 -4.2109000000e-03  2.5602000000e-03  3.1279000000e-03  8.2570000000e-04 -1.8260000000e-03
-
-JOB 60
-COORDS -1.7930200000e-01  5.1215000000e-01  1.9711650000e+00  1.9632600000e-01 -8.4787000000e-02  2.6183130000e+00  2.7619500000e-01  1.3413550000e+00  2.1166790000e+00  1.2783700000e-01 -5.0803000000e-01 -1.9546950000e+00 -5.9812200000e-01 -7.9971600000e-01 -2.5061790000e+00  8.9087300000e-01 -5.2748700000e-01 -2.5323020000e+00
-ENERGY -1.526526703964e+02
-FORCES  3.7924000000e-03  7.2580000000e-04  2.2187000000e-03 -1.6481000000e-03  2.4474000000e-03 -2.3970000000e-03 -1.9282000000e-03 -3.2353000000e-03 -2.4120000000e-04 -3.2230000000e-04 -1.2709000000e-03 -4.2818000000e-03  3.1102000000e-03  1.1584000000e-03  2.1383000000e-03 -3.0040000000e-03  1.7460000000e-04  2.5630000000e-03
-
-JOB 61
-COORDS -3.3632500000e-01  4.0294100000e-01  2.0308680000e+00 -2.6136000000e-01  1.2082330000e+00  1.5188930000e+00 -1.2415940000e+00  3.9966600000e-01  2.3418490000e+00  3.4579100000e-01 -4.1102200000e-01 -2.0617260000e+00  1.0112540000e+00 -1.0712430000e+00 -2.2553740000e+00  3.0461200000e-01 -3.8498000000e-01 -1.1057670000e+00
-ENERGY -1.526561654845e+02
-FORCES -4.1310000000e-03  4.0305000000e-03  1.0013000000e-03 -7.0500000000e-05 -4.3857000000e-03  1.4202000000e-03  3.9580000000e-03  1.0660000000e-04 -1.2918000000e-03  2.5527000000e-03 -3.2728000000e-03  3.6915000000e-03 -2.6109000000e-03  2.6393000000e-03  5.0970000000e-04  3.0170000000e-04  8.8220000000e-04 -5.3309000000e-03
-
-JOB 62
-COORDS -4.3084000000e-01 -2.0924710000e+00 -2.8198000000e-02  4.2038600000e-01 -2.3687810000e+00 -3.6775500000e-01 -7.2654300000e-01 -1.4191270000e+00 -6.4089700000e-01  4.0588000000e-01  2.0979400000e+00  3.3222000000e-02  1.0823220000e+00  1.7332560000e+00  6.0389100000e-01 -4.1738800000e-01  1.8978210000e+00  4.7865900000e-01
-ENERGY -1.526555740722e+02
-FORCES  2.3792000000e-03  1.4410000000e-03 -4.7521000000e-03 -3.3886000000e-03  9.9050000000e-04  1.6719000000e-03  7.6710000000e-04 -3.0604000000e-03  3.1381000000e-03 -4.3770000000e-04 -1.8908000000e-03  5.2084000000e-03 -2.5462000000e-03  1.7013000000e-03 -2.7358000000e-03  3.2261000000e-03  8.1840000000e-04 -2.5306000000e-03
-
-JOB 63
-COORDS -7.0681600000e-01 -1.8556090000e+00  8.6883500000e-01 -4.2499400000e-01 -2.0075660000e+00 -3.3227000000e-02 -4.0771300000e-01 -9.6830200000e-01  1.0674660000e+00  6.5598300000e-01  1.8778530000e+00 -8.4473500000e-01  5.7758900000e-01  1.1100930000e+00 -1.4109780000e+00  1.1189880000e+00  1.5585420000e+00 -7.0203000000e-02
-ENERGY -1.526530875370e+02
-FORCES  1.3964000000e-03  2.8838000000e-03 -2.6054000000e-03 -7.1890000000e-04  1.1095000000e-03  3.6708000000e-03 -2.2360000000e-04 -3.9522000000e-03 -1.0961000000e-03  2.3855000000e-03 -3.1829000000e-03 -4.7900000000e-05  8.4400000000e-05  2.6695000000e-03  3.1669000000e-03 -2.9237000000e-03  4.7220000000e-04 -3.0883000000e-03
-
-JOB 64
-COORDS -1.3197400000e+00  1.3420180000e+00 -9.7576800000e-01 -5.4639500000e-01  1.4273680000e+00 -4.1819800000e-01 -1.9642500000e+00  1.9314250000e+00 -5.8405700000e-01  1.3728600000e+00 -1.4201670000e+00  9.3756800000e-01  1.3574220000e+00 -5.0296900000e-01  6.6417700000e-01  4.5206400000e-01 -1.6477480000e+00  1.0663020000e+00
-ENERGY -1.526533217996e+02
-FORCES -1.5220000000e-04  3.9594000000e-03  3.2622000000e-03 -2.5490000000e-03 -1.7136000000e-03 -1.7212000000e-03  2.8402000000e-03 -2.7100000000e-03 -1.6657000000e-03 -4.1467000000e-03  1.9866000000e-03 -1.2364000000e-03 -2.5100000000e-04 -2.6863000000e-03  1.3443000000e-03  4.2588000000e-03  1.1639000000e-03  1.6700000000e-05
-
-JOB 65
-COORDS -1.3513090000e+00 -2.6147700000e-01  1.6319830000e+00 -1.4503890000e+00 -1.1659100000e-01  6.9101400000e-01 -2.1063870000e+00 -7.9814100000e-01  1.8729830000e+00  1.3935900000e+00  3.4659800000e-01 -1.5963820000e+00  1.1912830000e+00 -1.8562600000e-01 -8.2694000000e-01  1.7598820000e+00 -2.7310900000e-01 -2.2272750000e+00
-ENERGY -1.526551033229e+02
-FORCES -4.6518000000e-03 -8.9150000000e-04 -2.3978000000e-03  1.3978000000e-03 -1.5721000000e-03  4.1929000000e-03  3.1745000000e-03  2.2033000000e-03 -1.0390000000e-03  1.9066000000e-03 -4.6553000000e-03  9.2990000000e-04 -1.8600000000e-04  2.3646000000e-03 -4.2383000000e-03 -1.6411000000e-03  2.5511000000e-03  2.5522000000e-03
-
-JOB 66
-COORDS  1.6414490000e+00  1.4380520000e+00  7.8847000000e-02  1.4024430000e+00  1.0369260000e+00 -7.5674000000e-01  8.8920900000e-01  1.9843730000e+00  3.0666600000e-01 -1.5797220000e+00 -1.5011330000e+00 -7.5504000000e-02 -1.8322310000e+00 -6.1956800000e-01 -3.4993700000e-01 -1.3395950000e+00 -1.4060050000e+00  8.4619100000e-01
-ENERGY -1.526541293106e+02
-FORCES -3.2766000000e-03  4.7770000000e-04 -3.0491000000e-03  7.4620000000e-04  2.2949000000e-03  3.6929000000e-03  2.6073000000e-03 -2.6637000000e-03 -7.5680000000e-04 -5.7900000000e-05  3.4560000000e-03  3.3939000000e-03  1.5020000000e-03 -3.2088000000e-03  7.4300000000e-04 -1.5210000000e-03 -3.5610000000e-04 -4.0239000000e-03
-
-JOB 67
-COORDS -4.5518400000e-01 -1.9770330000e+00  6.8030700000e-01 -7.3394400000e-01 -2.7518220000e+00  1.1683920000e+00 -1.0785650000e+00 -1.2964130000e+00  9.3404800000e-01  5.0199100000e-01  2.0358820000e+00 -7.6089000000e-01  1.2627010000e+00  1.4628330000e+00 -6.6514400000e-01 -1.5704500000e-01  1.6593320000e+00 -1.7769700000e-01
-ENERGY -1.526543522779e+02
-FORCES -4.1707000000e-03 -1.7021000000e-03  3.1557000000e-03  1.1237000000e-03  3.3267000000e-03 -2.0471000000e-03  3.2286000000e-03 -1.7676000000e-03 -1.2449000000e-03  9.2480000000e-04 -4.7140000000e-03  2.5025000000e-03 -2.9852000000e-03  3.1634000000e-03 -4.2090000000e-04  1.8788000000e-03  1.6936000000e-03 -1.9452000000e-03
-
-JOB 68
-COORDS  1.7285880000e+00  4.7029700000e-01 -1.2583830000e+00  2.4492180000e+00  7.0861100000e-01 -6.7517600000e-01  2.0587460000e+00  6.5815300000e-01 -2.1369830000e+00 -1.8088150000e+00 -4.4997800000e-01  1.2352180000e+00 -2.1459260000e+00 -7.2391800000e-01  2.0881810000e+00 -1.0600960000e+00 -1.0250100000e+00  1.0771350000e+00
-ENERGY -1.526542836707e+02
-FORCES  4.0734000000e-03  2.4697000000e-03 -1.5726000000e-03 -2.9122000000e-03 -1.3414000000e-03 -2.3120000000e-03 -1.1769000000e-03 -8.2290000000e-04  3.6630000000e-03  2.3421000000e-03 -3.3581000000e-03  1.9564000000e-03  1.3756000000e-03  1.2027000000e-03 -3.3824000000e-03 -3.7021000000e-03  1.8499000000e-03  1.6476000000e-03
-
-JOB 69
-COORDS -6.1252500000e-01 -1.8673080000e+00 -1.0861890000e+00 -1.0801450000e+00 -2.6933450000e+00 -1.2095810000e+00  7.9022000000e-02 -2.0745860000e+00 -4.5767400000e-01  6.2455300000e-01  1.8725090000e+00  1.0183270000e+00 -7.2895000000e-02  1.7909340000e+00  1.6688230000e+00  8.8399600000e-01  2.7929890000e+00  1.0587900000e+00
-ENERGY -1.526539278278e+02
-FORCES  1.6071000000e-03 -3.6744000000e-03  2.1715000000e-03  1.7752000000e-03  3.4569000000e-03  5.1860000000e-04 -3.2157000000e-03  8.9800000000e-05 -2.6168000000e-03 -2.3379000000e-03  3.5445000000e-03  2.2747000000e-03  3.1740000000e-03  3.3700000000e-04 -2.2833000000e-03 -1.0028000000e-03 -3.7538000000e-03 -6.4800000000e-05
-
-JOB 70
-COORDS  3.2295100000e-01  1.1108620000e+00  2.0394520000e+00 -6.0725300000e-01  1.2256840000e+00  2.2337930000e+00  4.2994800000e-01  1.6625200000e-01  1.9276680000e+00 -2.7222600000e-01 -1.1159070000e+00 -1.9952320000e+00  8.4034000000e-02 -1.1811600000e+00 -2.8812640000e+00 -6.9926200000e-01 -2.5959400000e-01 -1.9707370000e+00
-ENERGY -1.526550409807e+02
-FORCES -3.0002000000e-03 -4.0058000000e-03  3.7330000000e-04  3.6563000000e-03 -2.3390000000e-04 -1.0020000000e-03 -5.5700000000e-04  4.3155000000e-03  1.0287000000e-03  7.7600000000e-05  3.5494000000e-03 -3.8312000000e-03 -1.5595000000e-03  2.3030000000e-04  3.5408000000e-03  1.3827000000e-03 -3.8555000000e-03 -1.0950000000e-04
-
-JOB 71
-COORDS -3.9919500000e-01  1.3682620000e+00 -1.9706540000e+00 -6.2410000000e-03  5.1571200000e-01 -1.7836320000e+00 -1.1340290000e+00  1.4328230000e+00 -1.3606680000e+00  3.6928800000e-01 -1.3495680000e+00  1.9557720000e+00  1.2189110000e+00 -1.0561100000e+00  2.2847950000e+00  4.0146700000e-01 -1.1716360000e+00  1.0158060000e+00
-ENERGY -1.526533957528e+02
-FORCES -2.0757000000e-03 -2.7939000000e-03  2.7531000000e-03 -1.2289000000e-03  3.2271000000e-03  7.7400000000e-05  3.4760000000e-03 -4.9200000000e-04 -2.6203000000e-03  4.1917000000e-03  1.7689000000e-03 -1.8585000000e-03 -3.6873000000e-03 -1.3260000000e-03 -1.4775000000e-03 -6.7590000000e-04 -3.8410000000e-04  3.1257000000e-03
-
-JOB 72
-COORDS  2.0637900000e-01  2.3170220000e+00  1.1585600000e-01 -7.2306400000e-01  2.5277880000e+00  2.0500000000e-01  6.6087600000e-01  3.0839620000e+00  4.6437900000e-01 -2.0473300000e-01 -2.3394400000e+00 -8.2272000000e-02  1.6771300000e-01 -1.8697680000e+00 -8.2854600000e-01 -1.6401000000e-01 -3.2618660000e+00 -3.3466600000e-01
-ENERGY -1.526544279150e+02
-FORCES -2.1388000000e-03  3.7844000000e-03  2.3842000000e-03  3.8902000000e-03 -5.5920000000e-04 -6.2570000000e-04 -1.8476000000e-03 -3.0419000000e-03 -1.5236000000e-03  2.0738000000e-03 -1.0539000000e-03 -4.0725000000e-03 -1.7707000000e-03 -2.8144000000e-03  2.7601000000e-03 -2.0700000000e-04  3.6851000000e-03  1.0775000000e-03
-
-JOB 73
-COORDS -5.7891600000e-01 -4.2254600000e-01 -2.2505500000e+00 -4.0837500000e-01 -1.3227630000e+00 -2.5276010000e+00 -3.8785100000e-01  1.0706700000e-01 -3.0246540000e+00  5.4533900000e-01  4.9645200000e-01  2.3423810000e+00  1.2124760000e+00 -1.6544900000e-01  2.5241690000e+00  1.0084200000e-01  1.7954700000e-01  1.5561080000e+00
-ENERGY -1.526553854128e+02
-FORCES  1.2549000000e-03 -1.1470000000e-03 -5.1173000000e-03 -5.7200000000e-04  3.7026000000e-03  1.4348000000e-03 -7.9060000000e-04 -2.4301000000e-03  3.1016000000e-03  5.6860000000e-04 -3.8286000000e-03 -3.3048000000e-03 -2.5242000000e-03  2.5475000000e-03 -5.2080000000e-04  2.0634000000e-03  1.1555000000e-03  4.4066000000e-03
-
-JOB 74
-COORDS  3.9390400000e-01  1.5006500000e+00 -1.9367400000e+00  1.3110060000e+00  1.5784860000e+00 -2.1996050000e+00 -8.1384000000e-02  2.0528430000e+00 -2.5575600000e+00 -3.7733700000e-01 -1.4758420000e+00  2.0086270000e+00 -5.2461500000e-01 -2.2489640000e+00  2.5534420000e+00 -8.5338400000e-01 -1.6588420000e+00  1.1986130000e+00
-ENERGY -1.526541148735e+02
-FORCES  2.1578000000e-03  2.8219000000e-03 -3.2609000000e-03 -3.8462000000e-03 -3.0080000000e-04  8.1540000000e-04  1.8660000000e-03 -2.3731000000e-03  2.4997000000e-03 -2.5587000000e-03 -3.4144000000e-03 -1.7227000000e-03  6.5000000000e-04  3.1300000000e-03 -2.1403000000e-03  1.7311000000e-03  1.3650000000e-04  3.8087000000e-03
-
-JOB 75
-COORDS -1.0264840000e+00  2.1561480000e+00 -9.0574100000e-01 -4.7922200000e-01  1.4844630000e+00 -1.3126510000e+00 -7.1118500000e-01  2.9800670000e+00 -1.2771910000e+00  9.2990100000e-01 -2.1308000000e+00  9.2320200000e-01  1.7534950000e+00 -2.2998870000e+00  4.6567000000e-01  1.0375190000e+00 -2.5535370000e+00  1.7752260000e+00
-ENERGY -1.526540557261e+02
-FORCES  3.6241000000e-03 -8.6200000000e-05 -2.8088000000e-03 -2.2248000000e-03  3.3555000000e-03  1.0703000000e-03 -1.2647000000e-03 -3.2676000000e-03  1.5079000000e-03  3.5837000000e-03 -2.5107000000e-03  2.2087000000e-03 -3.4295000000e-03  9.1930000000e-04  1.6095000000e-03 -2.8870000000e-04  1.5896000000e-03 -3.5876000000e-03
-
-JOB 76
-COORDS  5.0501100000e-01  1.2085200000e+00 -2.3329780000e+00  8.6632700000e-01  1.0219200000e+00 -1.4664550000e+00 -2.9602900000e-01  1.7023350000e+00 -2.1577280000e+00 -4.7165800000e-01 -1.1883790000e+00  2.3267020000e+00 -1.1855970000e+00 -1.7913990000e+00  2.1196030000e+00  1.1182500000e-01 -1.2382070000e+00  1.5695380000e+00
-ENERGY -1.526541560604e+02
-FORCES -1.7919000000e-03  1.9789000000e-03  4.1689000000e-03 -1.5042000000e-03  6.5700000000e-05 -3.4821000000e-03  3.3145000000e-03 -2.2240000000e-03 -8.2280000000e-04 -6.5990000000e-04 -3.3933000000e-03 -3.6225000000e-03  2.9639000000e-03  2.6395000000e-03  8.6710000000e-04 -2.3224000000e-03  9.3320000000e-04  2.8915000000e-03
-
-JOB 77
-COORDS  2.3959390000e+00 -1.2897110000e+00  4.4139200000e-01  1.4731040000e+00 -1.2975590000e+00  1.8733300000e-01  2.8521660000e+00 -9.3680200000e-01 -3.2250900000e-01 -2.3693690000e+00  1.2319000000e+00 -4.4117800000e-01 -3.1220440000e+00  1.7202800000e+00 -1.0771700000e-01 -1.6598920000e+00  1.4398390000e+00  1.6679800000e-01
-ENERGY -1.526546133662e+02
-FORCES -1.8956000000e-03  9.4720000000e-04 -4.5000000000e-03  3.9212000000e-03  3.9530000000e-04  1.4067000000e-03 -1.8076000000e-03 -1.3175000000e-03  3.2445000000e-03 -6.6170000000e-04  3.2044000000e-03  3.9786000000e-03  3.1217000000e-03 -1.9744000000e-03 -1.3796000000e-03 -2.6780000000e-03 -1.2551000000e-03 -2.7502000000e-03
-
-JOB 78
-COORDS -1.2886860000e+00 -6.0039000000e-02 -2.4620000000e+00 -1.7394320000e+00 -4.3266700000e-01 -3.2197660000e+00 -1.3065390000e+00 -7.5659400000e-01 -1.8057040000e+00  1.3259760000e+00  7.2380000000e-02  2.4495330000e+00  1.8602090000e+00  4.8735500000e-01  3.1267500000e+00  6.9209200000e-01  7.4430100000e-01  2.1986460000e+00
-ENERGY -1.526545160085e+02
-FORCES -1.6404000000e-03 -4.6182000000e-03 -4.4830000000e-04  1.7826000000e-03  1.5407000000e-03  3.0567000000e-03 -2.2170000000e-04  3.0632000000e-03 -2.7355000000e-03 -2.2140000000e-04  4.7056000000e-03  1.5676000000e-03 -2.1859000000e-03 -1.7099000000e-03 -2.6763000000e-03  2.4869000000e-03 -2.9815000000e-03  1.2358000000e-03
-
-JOB 79
-COORDS  1.5659150000e+00 -6.7499700000e-01 -2.2204020000e+00  1.7000530000e+00  6.5301000000e-02 -2.8121780000e+00  2.2967520000e+00 -6.2519400000e-01 -1.6042620000e+00 -1.6568650000e+00  6.0517200000e-01  2.2561740000e+00 -1.5401620000e+00  5.0858200000e-01  1.3110380000e+00 -9.6010200000e-01  1.2043450000e+00  2.5240260000e+00
-ENERGY -1.526544474655e+02
-FORCES  3.9896000000e-03  2.7919000000e-03 -3.9980000000e-04 -6.9020000000e-04 -2.9494000000e-03  2.6605000000e-03 -3.2376000000e-03  3.1700000000e-05 -2.3954000000e-03  3.2670000000e-03  1.7530000000e-03 -3.0871000000e-03 -5.9660000000e-04  7.2220000000e-04  4.2207000000e-03 -2.7322000000e-03 -2.3494000000e-03 -9.9900000000e-04
-
-JOB 80
-COORDS -2.7136040000e+00 -8.4575800000e-01  6.4445000000e-02 -3.5655810000e+00 -1.2803880000e+00  2.6182000000e-02 -2.7676210000e+00 -1.5335100000e-01 -5.9425600000e-01  2.7435570000e+00  8.7854600000e-01 -5.8742000000e-02  3.4738080000e+00  3.0246300000e-01 -2.8478000000e-01  2.4368710000e+00  5.5603000000e-01  7.8870100000e-01
-ENERGY -1.526544641806e+02
-FORCES -3.5712000000e-03  1.2328000000e-03 -3.0512000000e-03  3.4633000000e-03  1.7272000000e-03  1.8530000000e-04 -3.4200000000e-05 -2.9336000000e-03  2.7761000000e-03  1.3819000000e-03 -3.9324000000e-03  2.6485000000e-03 -2.8399000000e-03  2.4022000000e-03  8.7120000000e-04  1.6001000000e-03  1.5038000000e-03 -3.4299000000e-03
-
-JOB 81
-COORDS -2.1381900000e-01  3.0974170000e+00 -4.5595200000e-01 -7.3109300000e-01  3.3806620000e+00  2.9799200000e-01  3.8286700000e-01  2.4372670000e+00 -1.0324900000e-01  2.4709200000e-01 -3.1232870000e+00  3.5200200000e-01  5.5336100000e-01 -2.5980540000e+00  1.0913000000e+00 -6.5959700000e-01 -2.8462610000e+00  2.2008200000e-01
-ENERGY -1.526538264407e+02
-FORCES  5.1980000000e-04 -1.2845000000e-03  4.3528000000e-03  2.0928000000e-03 -1.3411000000e-03 -3.0654000000e-03 -2.6328000000e-03  2.5842000000e-03 -1.2679000000e-03 -2.5929000000e-03  2.9847000000e-03  2.3543000000e-03 -1.2125000000e-03 -1.8927000000e-03 -3.0568000000e-03  3.8256000000e-03 -1.0505000000e-03  6.8310000000e-04
-
-JOB 82
-COORDS  2.0674900000e+00  2.9150070000e+00 -7.9752200000e-01  2.0369450000e+00  3.1251910000e+00  1.3581700000e-01  2.6451650000e+00  3.5787990000e+00 -1.1742230000e+00 -2.1616470000e+00 -2.9686000000e+00  7.4478700000e-01 -1.6626080000e+00 -2.1614130000e+00  8.6984500000e-01 -1.5315920000e+00 -3.6689780000e+00  9.1429500000e-01
-ENERGY -1.526542082110e+02
-FORCES  2.2661000000e-03  3.7590000000e-03  2.1175000000e-03  8.5400000000e-05 -1.0115000000e-03 -3.7609000000e-03 -2.3458000000e-03 -2.7286000000e-03  1.5861000000e-03  4.7060000000e-03  5.6590000000e-04  9.7630000000e-04 -2.1131000000e-03 -3.3726000000e-03 -3.0740000000e-04 -2.5985000000e-03  2.7878000000e-03 -6.1160000000e-04
-
-JOB 83
-COORDS -9.7398200000e-01 -3.5638800000e+00 -1.0600020000e+00 -5.3232600000e-01 -4.3900950000e+00 -8.6368500000e-01 -4.4153700000e-01 -3.1647120000e+00 -1.7480430000e+00  8.6134100000e-01  3.6305530000e+00  1.0948660000e+00  1.0574470000e+00  3.1028840000e+00  3.2069600000e-01  1.6099770000e+00  3.4927020000e+00  1.6751870000e+00
-ENERGY -1.526539337149e+02
-FORCES  3.8489000000e-03 -1.8446000000e-03 -2.0255000000e-03 -1.7653000000e-03  3.4191000000e-03 -8.0120000000e-04 -2.0985000000e-03 -1.5453000000e-03  2.8526000000e-03  3.7254000000e-03 -2.8339000000e-03 -7.2470000000e-04 -7.0520000000e-04  2.2051000000e-03  3.0934000000e-03 -3.0052000000e-03  5.9960000000e-04 -2.3945000000e-03
-
-JOB 84
-COORDS -3.9355050000e+00  2.3167500000e-01  3.6760100000e-01 -3.8496740000e+00 -6.8248100000e-01  6.3812700000e-01 -4.1146830000e+00  1.8818000000e-01 -5.7167300000e-01  3.8969570000e+00 -1.3500200000e-01 -3.5636600000e-01  4.5329350000e+00  6.7074000000e-02  3.2987600000e-01  4.0385490000e+00 -1.0617760000e+00 -5.4942800000e-01
-ENERGY -1.526539589314e+02
-FORCES -1.4700000000e-04 -3.8506000000e-03 -2.7956000000e-03 -4.4270000000e-04  3.6833000000e-03 -1.0653000000e-03  6.1440000000e-04  1.4680000000e-04  3.8417000000e-03  3.1476000000e-03 -2.8639000000e-03  2.0930000000e-03 -2.5643000000e-03 -8.6270000000e-04 -2.8289000000e-03 -6.0820000000e-04  3.7471000000e-03  7.5520000000e-04
-
-JOB 85
-COORDS  1.0424560000e+00  2.3238800000e+00  3.5681070000e+00  4.6157600000e-01  1.7067130000e+00  4.0129850000e+00  1.0624680000e+00  2.0225160000e+00  2.6598060000e+00 -9.7514700000e-01 -2.2685230000e+00 -3.4976260000e+00 -1.8400060000e+00 -2.6780610000e+00 -3.5206330000e+00 -8.1131000000e-01 -2.0027650000e+00 -4.4024810000e+00
-ENERGY -1.526542960397e+02
-FORCES -2.2725000000e-03 -3.8361000000e-03 -2.0046000000e-03  2.3439000000e-03  2.5470000000e-03 -1.7313000000e-03 -7.1400000000e-05  1.3122000000e-03  3.7733000000e-03 -2.8477000000e-03 -6.5100000000e-04 -3.9029000000e-03  3.5266000000e-03  1.6972000000e-03  1.4490000000e-04 -6.7900000000e-04 -1.0692000000e-03  3.7206000000e-03
-
-JOB 86
-COORDS  1.1164010000e+00  4.0615130000e+00 -1.6387610000e+00  1.4474250000e+00  4.8803820000e+00 -1.2698320000e+00  7.1664300000e-01  3.6081820000e+00 -8.9652300000e-01 -1.1016530000e+00 -4.0453600000e+00  1.5237680000e+00 -6.5933800000e-01 -4.8728310000e+00  1.7131940000e+00 -1.7460510000e+00 -3.9516010000e+00  2.2253320000e+00
-ENERGY -1.526540782404e+02
-FORCES -3.0280000000e-04  1.3354000000e-03  4.5465000000e-03 -1.3418000000e-03 -3.3015000000e-03 -1.5117000000e-03  1.6385000000e-03  1.9788000000e-03 -3.0167000000e-03 -8.2420000000e-04 -3.0782000000e-03  3.5693000000e-03 -1.8120000000e-03  3.3937000000e-03 -7.4210000000e-04  2.6423000000e-03 -3.2810000000e-04 -2.8452000000e-03
-
-JOB 87
-COORDS  3.2330510000e+00  4.8654300000e+00  1.9663820000e+00  3.8776950000e+00  5.4633620000e+00  2.3447250000e+00  2.6383710000e+00  4.6650340000e+00  2.6891750000e+00 -3.2657490000e+00 -4.8294320000e+00 -2.0286060000e+00 -3.6302430000e+00 -5.6381600000e+00 -1.6689740000e+00 -2.3615080000e+00 -5.0515910000e+00 -2.2504740000e+00
-ENERGY -1.526540618740e+02
-FORCES  1.6230000000e-04  1.6213000000e-03  4.4818000000e-03 -2.6170000000e-03 -2.4424000000e-03 -1.5430000000e-03  2.4509000000e-03  8.2160000000e-04 -2.9370000000e-03  2.2330000000e-03 -4.1776000000e-03  5.4660000000e-04  1.4761000000e-03  3.2953000000e-03 -1.4592000000e-03 -3.7053000000e-03  8.8190000000e-04  9.1080000000e-04
-
-JOB 88
-COORDS  6.5140830000e+00  3.3218600000e-01  2.1156830000e+00  7.3063890000e+00 -2.0484200000e-01  2.1248120000e+00  5.8194070000e+00 -2.6950300000e-01  1.8480490000e+00 -6.5176370000e+00 -2.7342500000e-01 -2.1667970000e+00 -5.7582760000e+00 -5.9540000000e-02 -1.6247130000e+00 -7.2460050000e+00 -3.2918600000e-01 -1.5482480000e+00
-ENERGY -1.526540805825e+02
-FORCES  4.2690000000e-04 -4.6468000000e-03 -1.0714000000e-03 -3.2402000000e-03  2.1896000000e-03 -3.0700000000e-05  2.8134000000e-03  2.4595000000e-03  1.1032000000e-03  1.1500000000e-04  6.7500000000e-04  4.7341000000e-03 -3.0899000000e-03 -8.9320000000e-04 -2.2122000000e-03  2.9748000000e-03  2.1590000000e-04 -2.5231000000e-03
-
-JOB 89
-COORDS -1.6101070000e+00  3.4038110000e+00  7.1104700000e+00 -1.8275300000e+00  2.9376680000e+00  7.9177300000e+00 -1.7228370000e+00  2.7516380000e+00  6.4189550000e+00  1.6151450000e+00 -3.4071090000e+00 -7.1038380000e+00  1.8122420000e+00 -2.9348240000e+00 -7.9127460000e+00  1.6278590000e+00 -2.7337720000e+00 -6.4236270000e+00
-ENERGY -1.526540861829e+02
-FORCES -1.3530000000e-03 -4.5669000000e-03  4.8720000000e-04  8.8850000000e-04  1.9031000000e-03 -3.2967000000e-03  4.6490000000e-04  2.6655000000e-03  2.8099000000e-03  8.6460000000e-04  4.6782000000e-03 -5.3870000000e-04 -8.0670000000e-04 -1.9281000000e-03  3.3029000000e-03 -5.8300000000e-05 -2.7518000000e-03 -2.7647000000e-03
-
-JOB 0
-COORDS  1.1738210000e+00 -4.0006500000e-01 -5.7708300000e-01  6.8510000000e-01  2.1630500000e-01 -1.1224930000e+00  6.0975900000e-01 -5.4839200000e-01  1.8190600000e-01 -1.0946230000e+00  3.4811200000e-01  4.9315500000e-01 -1.4497410000e+00 -1.7266700000e-01  1.2135110000e+00 -9.8486600000e-01  1.2245510000e+00  8.6198900000e-01
-ENERGY -1.526542018172e+02
-FORCES -1.9367200000e-02  6.7425000000e-03  5.7211000000e-03  3.7460000000e-03  6.4370000000e-04 -1.5420000000e-03  4.0910000000e-03 -4.5934000000e-03  3.4157000000e-03  6.4583000000e-03  2.7400000000e-04 -1.4048000000e-03  5.2560000000e-03  1.8158000000e-03 -3.7545000000e-03 -1.8410000000e-04 -4.8826000000e-03 -2.4355000000e-03
-
-JOB 1
-COORDS  1.1648400000e+00  6.2671500000e-01 -2.9210600000e-01  1.6368200000e+00 -2.0063900000e-01 -1.9748800000e-01  2.4639600000e-01  3.9646300000e-01 -1.5183500000e-01 -1.1433000000e+00 -5.1044200000e-01  2.4918700000e-01 -1.0192870000e+00 -6.9410300000e-01  1.1803800000e+00 -1.2167090000e+00 -1.3736140000e+00 -1.5797100000e-01
-ENERGY -1.526570496008e+02
-FORCES -1.7583900000e-02 -1.1058500000e-02  3.1437000000e-03 -1.2955000000e-03  1.4452000000e-03  1.5230000000e-04  7.0977000000e-03  4.6002000000e-03  6.5010000000e-04  9.4222000000e-03  4.1380000000e-04 -1.3245000000e-03  9.6150000000e-04  5.4420000000e-04 -6.0684000000e-03  1.3981000000e-03  4.0551000000e-03  3.4468000000e-03
-
-JOB 2
-COORDS  2.1541500000e-01  6.6188700000e-01  1.1631280000e+00 -3.0908000000e-02  2.9681500000e-01  3.1325800000e-01  1.1720280000e+00  6.8960000000e-01  1.1442580000e+00 -2.1809600000e-01 -5.9850000000e-01 -1.1426580000e+00 -1.1744910000e+00 -6.3344000000e-01 -1.1247400000e+00  5.8976000000e-02 -1.3156410000e+00 -5.7241900000e-01
-ENERGY -1.526562652544e+02
-FORCES -1.0570000000e-04 -5.0287000000e-03 -1.8674600000e-02 -1.3329000000e-03 -3.0519000000e-03  1.0097100000e-02 -2.7931000000e-03 -1.6508000000e-03 -2.0820000000e-04 -1.2450000000e-03 -9.3270000000e-04  6.2739000000e-03  6.5598000000e-03  1.8542000000e-03  2.6533000000e-03 -1.0830000000e-03  8.8097000000e-03 -1.4160000000e-04
-
-JOB 3
-COORDS -9.9664300000e-01  7.9457300000e-01  6.4849000000e-02 -1.4468310000e+00  9.7147600000e-01 -7.6114600000e-01 -1.6790080000e+00  4.5033100000e-01  6.4113700000e-01  1.0850120000e+00 -8.3541400000e-01  2.9560000000e-03  4.7966600000e-01 -1.0753200000e-01  1.4428900000e-01  1.2967540000e+00 -7.9383700000e-01 -9.2960400000e-01
-ENERGY -1.526579430733e+02
-FORCES  4.2874000000e-03 -8.9012000000e-03 -2.2733000000e-03  1.3627000000e-03 -1.1133000000e-03  4.3161000000e-03  3.0150000000e-03  2.1875000000e-03 -3.6767000000e-03 -1.4090100000e-02  1.2194700000e-02 -2.3652000000e-03  6.6089000000e-03 -4.5353000000e-03  1.9921000000e-03 -1.1840000000e-03  1.6770000000e-04  2.0069000000e-03
-
-JOB 4
-COORDS -3.3701000000e-01 -8.4974000000e-01 -9.3533400000e-01 -8.6699400000e-01 -1.4849630000e+00 -4.5383600000e-01  5.2379400000e-01 -1.2618930000e+00 -1.0086730000e+00  3.4991900000e-01  9.4920600000e-01  9.5804400000e-01  5.9376000000e-01  7.2590700000e-01  5.9762000000e-02 -5.4176200000e-01  6.1488700000e-01  1.0548290000e+00
-ENERGY -1.526536149722e+02
-FORCES  2.7710000000e-03 -2.0090000000e-04  8.7672000000e-03  2.0001000000e-03  3.7153000000e-03 -1.5989000000e-03 -3.4179000000e-03  4.6190000000e-03  9.3770000000e-04 -8.0196000000e-03 -1.0540300000e-02 -1.2664700000e-02  6.2368000000e-03  1.6666000000e-03  9.4110000000e-04  4.2960000000e-04  7.4030000000e-04  3.6175000000e-03
-
-JOB 5
-COORDS  5.3442700000e-01  1.5416400000e-01 -1.2620520000e+00  4.0705600000e-01  1.3776800000e-01 -3.1350600000e-01  3.9147200000e-01  1.0682150000e+00 -1.5076250000e+00 -4.6879500000e-01 -1.6362100000e-01  1.2141820000e+00 -1.4061480000e+00 -3.9849000000e-02  1.0649150000e+00 -3.7876600000e-01 -1.0950890000e+00  1.4154150000e+00
-ENERGY -1.526596916858e+02
-FORCES -5.1187000000e-03  7.8420000000e-04  1.5274700000e-02  4.4344000000e-03  2.2460000000e-04 -9.1419000000e-03 -8.4330000000e-04 -2.6691000000e-03  1.7744000000e-03 -2.4907000000e-03 -2.6460000000e-03 -7.5436000000e-03  4.6678000000e-03 -7.5710000000e-04  1.4088000000e-03 -6.4950000000e-04  5.0635000000e-03 -1.7724000000e-03
-
-JOB 6
-COORDS  6.3244900000e-01 -1.0783780000e+00  3.7665900000e-01  1.4407960000e+00 -1.5528990000e+00  1.8265600000e-01  5.8106100000e-01 -1.0725870000e+00  1.3324610000e+00 -6.8037100000e-01  1.1617250000e+00 -3.7369900000e-01 -1.0195200000e+00  1.1085480000e+00 -1.2672210000e+00 -2.5952100000e-01  3.1479700000e-01 -2.2594500000e-01
-ENERGY -1.526605600784e+02
-FORCES  3.6410000000e-04  4.9031000000e-03 -2.8130000000e-04 -3.7525000000e-03  1.2651000000e-03  2.6235000000e-03  1.1460000000e-03 -4.2380000000e-04 -5.3129000000e-03  6.5066000000e-03 -1.1982000000e-02  9.6240000000e-04  1.8572000000e-03 -8.9860000000e-04  2.3185000000e-03 -6.1215000000e-03  7.1361000000e-03 -3.1030000000e-04
-
-JOB 7
-COORDS  1.2698470000e+00  3.7307500000e-01 -4.3551700000e-01  5.2758200000e-01  2.6908100000e-01  1.5984800000e-01  2.0201690000e+00  5.2144300000e-01  1.4001500000e-01 -1.2985870000e+00 -3.1751500000e-01  3.5684200000e-01 -1.1740380000e+00 -1.0675540000e+00 -2.2467300000e-01 -9.3675500000e-01 -6.0188700000e-01  1.1961530000e+00
-ENERGY -1.526562853593e+02
-FORCES -9.3166000000e-03  4.6200000000e-04  3.4902000000e-03  9.6790000000e-03 -2.5398000000e-03  1.9245000000e-03 -4.8374000000e-03 -1.2929000000e-03 -3.5330000000e-04  1.5406000000e-03 -5.7296000000e-03 -2.8692000000e-03 -3.8350000000e-04  4.3039000000e-03  4.1427000000e-03  3.3178000000e-03  4.7964000000e-03 -6.3349000000e-03
-
-JOB 8
-COORDS  8.2505000000e-02  1.1698210000e+00  6.7035700000e-01  9.4104100000e-01  8.7709200000e-01  9.7606500000e-01 -4.1472900000e-01  1.3332050000e+00  1.4717900000e+00 -4.6734000000e-02 -1.1978940000e+00 -7.7038100000e-01 -9.0500100000e-01 -1.5489920000e+00 -5.3302400000e-01 -8.9424000000e-02 -2.7358300000e-01 -5.2531200000e-01
-ENERGY -1.526598353907e+02
-FORCES  6.1210000000e-04 -4.8533000000e-03  3.6195000000e-03 -5.2963000000e-03  1.2836000000e-03 -2.3046000000e-03  3.0343000000e-03 -8.5570000000e-04 -3.1572000000e-03 -4.2196000000e-03  1.0901600000e-02  6.7349000000e-03  2.3892000000e-03  8.7470000000e-04 -3.6070000000e-04  3.4802000000e-03 -7.3509000000e-03 -4.5318000000e-03
-
-JOB 9
-COORDS  1.1438300000e-01 -1.2064180000e+00 -5.9579800000e-01  1.0214590000e+00 -1.5111970000e+00 -5.7223800000e-01 -3.5335600000e-01 -1.7993120000e+00 -7.6400000000e-03 -8.2520000000e-02  1.2847470000e+00  5.7991300000e-01 -9.4058000000e-01  1.7067950000e+00  6.2282100000e-01 -2.5937200000e-01  4.1810100000e-01  2.1401700000e-01
-ENERGY -1.526600318438e+02
-FORCES  5.0605000000e-03 -1.4400000000e-04  2.4344000000e-03 -5.2010000000e-03 -8.1800000000e-05 -4.0700000000e-05  2.0078000000e-03  5.4879000000e-03 -2.0391000000e-03 -2.6780000000e-04 -9.9451000000e-03 -6.7332000000e-03  2.1278000000e-03 -3.3813000000e-03 -6.7280000000e-04 -3.7274000000e-03  8.0643000000e-03  7.0514000000e-03
-
-JOB 10
-COORDS  2.6693800000e-01  7.9848500000e-01  1.0224260000e+00  9.1616800000e-01  1.4814670000e+00  1.1905580000e+00 -2.8803400000e-01  7.9769900000e-01  1.8023210000e+00 -2.5549600000e-01 -8.1092600000e-01 -1.1314950000e+00 -2.0718900000e-01 -3.3795900000e-01 -3.0071200000e-01 -5.7485300000e-01 -1.6814250000e+00 -8.9385300000e-01
-ENERGY -1.526597389871e+02
-FORCES  1.6995000000e-03  4.6700000000e-04 -3.0889000000e-03 -3.9407000000e-03 -2.5720000000e-03  1.6575000000e-03  2.9715000000e-03 -4.2770000000e-04 -4.0221000000e-03  2.7334000000e-03  5.8343000000e-03  9.9106000000e-03 -4.2036000000e-03 -6.6617000000e-03 -5.3553000000e-03  7.3990000000e-04  3.3602000000e-03  8.9820000000e-04
-
-JOB 11
-COORDS  2.5677200000e-01  1.0593040000e+00 -9.1909700000e-01  9.9600000000e-02  5.1519500000e-01 -1.4742800000e-01 -6.1787100000e-01  1.2817780000e+00 -1.2380610000e+00 -2.3414800000e-01 -1.0022910000e+00  8.5458600000e-01  3.3227600000e-01 -1.7373880000e+00  6.2000700000e-01 -2.2276800000e-01 -9.8641600000e-01  1.8115860000e+00
-ENERGY -1.526612141516e+02
-FORCES -5.2661000000e-03 -9.1754000000e-03  8.1134000000e-03  2.3902000000e-03  7.8370000000e-03 -5.4565000000e-03  2.3323000000e-03 -7.0130000000e-04  1.1519000000e-03  3.1106000000e-03 -1.2965000000e-03 -1.4051000000e-03 -3.0283000000e-03  3.4436000000e-03  2.7463000000e-03  4.6140000000e-04 -1.0740000000e-04 -5.1500000000e-03
-
-JOB 12
-COORDS  6.6221700000e-01 -9.3738000000e-01  9.0464600000e-01  8.2459000000e-01 -2.1375200000e-01  1.5098150000e+00  1.6380200000e-01 -5.4397500000e-01  1.8837300000e-01 -5.9857300000e-01  8.3287400000e-01 -8.6716700000e-01 -1.3513730000e+00  1.2616500000e+00 -4.6013400000e-01 -6.3653900000e-01  1.1017910000e+00 -1.7850310000e+00
-ENERGY -1.526602985828e+02
-FORCES -3.7695000000e-03  9.8145000000e-03 -6.9825000000e-03 -8.1570000000e-04 -2.2535000000e-03 -6.7450000000e-04  2.0557000000e-03 -5.6756000000e-03  5.7500000000e-03 -6.2820000000e-04  9.3000000000e-05 -6.0120000000e-04  4.1321000000e-03 -1.8065000000e-03 -2.2429000000e-03 -9.7450000000e-04 -1.7180000000e-04  4.7511000000e-03
-
-JOB 13
-COORDS -3.3412300000e-01  1.2917960000e+00  3.6338700000e-01  4.6827600000e-01  1.1488310000e+00  8.6533200000e-01 -9.2715400000e-01  1.7251660000e+00  9.7717600000e-01  3.6683900000e-01 -1.3509430000e+00 -4.8009500000e-01  2.0950000000e-02 -4.8027900000e-01 -6.7640500000e-01 -1.2564000000e-02 -1.5738440000e+00  3.6996400000e-01
-ENERGY -1.526591744663e+02
-FORCES  1.3296000000e-03  2.9700000000e-05  3.5419000000e-03 -5.0781000000e-03  1.5490000000e-04 -2.3115000000e-03  3.5346000000e-03 -2.5088000000e-03 -1.6919000000e-03 -7.0049000000e-03  8.0528000000e-03  3.7045000000e-03  4.7092000000e-03 -5.3867000000e-03 -1.6054000000e-03  2.5096000000e-03 -3.4190000000e-04 -1.6376000000e-03
-
-JOB 14
-COORDS -1.1374610000e+00 -6.2610800000e-01  4.2959400000e-01 -2.0785920000e+00 -4.5408200000e-01  4.5975700000e-01 -8.9492200000e-01 -7.9422700000e-01  1.3401670000e+00  1.2448880000e+00  6.3228400000e-01 -4.8542300000e-01  6.2728400000e-01  1.2109400000e+00 -9.3258700000e-01  6.9803200000e-01 -5.6773000000e-02 -1.0809000000e-01
-ENERGY -1.526579754849e+02
-FORCES -1.6949000000e-03  2.4707000000e-03  1.5105000000e-03  4.1541000000e-03 -8.2910000000e-04  8.6070000000e-04  3.7260000000e-04  1.2176000000e-03 -5.7046000000e-03 -1.2896200000e-02 -3.0035000000e-03  5.9620000000e-04  3.1698000000e-03  1.8770000000e-04  1.4510000000e-04  6.8946000000e-03 -4.3500000000e-05  2.5920000000e-03
-
-JOB 15
-COORDS -1.1938800000e+00  5.3676100000e-01 -5.6550000000e-01 -4.9023300000e-01  5.5597000000e-01  8.3148000000e-02 -1.6755840000e+00  1.3512400000e+00 -4.2121800000e-01  1.1771250000e+00 -5.1425000000e-01  5.0566600000e-01  1.4330300000e+00 -1.2064320000e+00 -1.0394700000e-01  1.0597500000e+00 -9.6313300000e-01  1.3428980000e+00
-ENERGY -1.526598594094e+02
-FORCES  7.4518000000e-03 -1.0122000000e-03  3.8378000000e-03 -9.1389000000e-03  4.3638000000e-03 -1.5381000000e-03  3.0679000000e-03 -2.9399000000e-03  8.6330000000e-04 -1.2399000000e-03 -5.4353000000e-03 -3.4205000000e-03  2.5020000000e-04  2.2955000000e-03  4.2430000000e-03 -3.9110000000e-04  2.7281000000e-03 -3.9855000000e-03
-
-JOB 16
-COORDS -3.5268000000e-01 -1.2436440000e+00  5.7714500000e-01 -8.8138500000e-01 -1.9937860000e+00  3.0513400000e-01  4.7901700000e-01 -1.3567510000e+00  1.1701700000e-01  2.7926700000e-01  1.3190710000e+00 -5.7435800000e-01  8.6348400000e-01  1.7761820000e+00  3.0598000000e-02  5.6970800000e-01  4.0744800000e-01 -5.4573500000e-01
-ENERGY -1.526488867424e+02
-FORCES -4.3830000000e-04 -2.4157000000e-03 -3.3480000000e-03  2.4930000000e-03  3.8329000000e-03  1.5967000000e-03 -3.3332000000e-03  7.6492000000e-03 -3.5700000000e-04 -8.8250000000e-04 -5.4888000000e-03  6.2797000000e-03 -2.1003000000e-03 -2.1248000000e-03 -2.5545000000e-03  4.2613000000e-03 -1.4526000000e-03 -1.6169000000e-03
-
-JOB 17
-COORDS  2.9668900000e-01 -4.8405600000e-01  1.2563940000e+00  1.2434060000e+00 -4.1534100000e-01  1.3798320000e+00 -3.4520000000e-03 -1.0159330000e+00  1.9934520000e+00 -3.5327200000e-01  5.7578000000e-01 -1.3237150000e+00 -3.9347100000e-01 -2.2045300000e-01 -1.8534580000e+00  3.6721000000e-02  2.9404600000e-01 -4.9621000000e-01
-ENERGY -1.526594237418e+02
-FORCES -1.5768000000e-03 -1.6289000000e-03  2.5750000000e-03 -5.2731000000e-03 -1.8470000000e-04 -2.1293000000e-03  3.1990000000e-03  2.1070000000e-03 -2.5026000000e-03  7.1790000000e-04 -6.8212000000e-03  8.1311000000e-03  1.7350000000e-04  2.4127000000e-03  1.2848000000e-03  2.7596000000e-03  4.1151000000e-03 -7.3589000000e-03
-
-JOB 18
-COORDS -5.6765300000e-01 -6.9007500000e-01  1.1799660000e+00 -8.6267000000e-02 -5.7656600000e-01  1.9994870000e+00 -3.4949000000e-02 -2.3987100000e-01  5.2439400000e-01  4.4884000000e-01  6.6929600000e-01 -1.1614220000e+00  7.2970100000e-01 -1.2932600000e-01 -1.6081350000e+00  1.2120220000e+00  1.2458690000e+00 -1.1981350000e+00
-ENERGY -1.526601957024e+02
-FORCES  4.3405000000e-03  6.4922000000e-03 -5.3123000000e-03 -8.3320000000e-04  2.7970000000e-04 -3.3490000000e-03 -1.7293000000e-03 -7.9007000000e-03  7.6277000000e-03  2.8895000000e-03  5.3920000000e-04 -4.1888000000e-03 -1.0926000000e-03  4.1512000000e-03  4.6750000000e-03 -3.5749000000e-03 -3.5617000000e-03  5.4740000000e-04
-
-JOB 19
-COORDS -1.3983500000e-01  1.0312050000e+00  9.5377300000e-01 -8.3545000000e-02  1.8811700000e+00  5.1716900000e-01 -9.4017400000e-01  1.0823690000e+00  1.4763350000e+00  1.3424100000e-01 -1.0795650000e+00 -1.0094820000e+00  9.7004300000e-01 -1.5448840000e+00 -9.7563000000e-01  9.5110000000e-02 -5.9614200000e-01 -1.8425300000e-01
-ENERGY -1.526615572964e+02
-FORCES -2.6462000000e-03  4.2305000000e-03 -2.1302000000e-03 -8.0950000000e-04 -3.2344000000e-03  3.4200000000e-03  3.7720000000e-03 -4.2300000000e-05 -2.8335000000e-03  1.4212000000e-03  5.4341000000e-03  7.2997000000e-03 -2.5030000000e-03  2.1334000000e-03  4.3890000000e-04  7.6540000000e-04 -8.5213000000e-03 -6.1949000000e-03
-
-JOB 20
-COORDS -3.2549900000e-01  2.6304500000e-01  1.3644210000e+00 -1.0285950000e+00 -3.2429600000e-01  1.6417630000e+00 -7.3933000000e-01  1.1245400000e+00  1.3114670000e+00  3.3999700000e-01 -3.0510200000e-01 -1.4031370000e+00  1.1654850000e+00 -1.7233400000e-01 -1.8691560000e+00  4.8335600000e-01  9.0738000000e-02 -5.4349100000e-01
-ENERGY -1.526602902229e+02
-FORCES -6.3774000000e-03 -1.9090000000e-03  4.0920000000e-04  2.7061000000e-03  3.7778000000e-03  1.5110000000e-04  2.7370000000e-03 -4.1814000000e-03 -8.4810000000e-04  1.1630000000e-03  1.3776000000e-03  7.3542000000e-03 -2.7209000000e-03  1.7030000000e-04  2.9413000000e-03  2.4921000000e-03  7.6470000000e-04 -1.0007600000e-02
-
-JOB 21
-COORDS -5.3461900000e-01 -1.2836380000e+00  4.1396300000e-01 -1.2083840000e+00 -1.7690670000e+00  8.9002100000e-01 -7.7679600000e-01 -3.6438500000e-01  5.2602200000e-01  5.9595500000e-01  1.2758520000e+00 -3.8853200000e-01  6.6595400000e-01  4.0173700000e-01 -7.7227100000e-01  3.9899900000e-01  1.8483560000e+00 -1.1299360000e+00
-ENERGY -1.526601211914e+02
-FORCES -2.5863000000e-03  3.2405000000e-03  3.1607000000e-03  2.0127000000e-03  3.0330000000e-03 -1.3973000000e-03  4.3670000000e-04 -7.6691000000e-03 -2.1456000000e-03  2.2017000000e-03 -2.2015000000e-03 -5.2580000000e-03 -2.6341000000e-03  6.4429000000e-03  2.6347000000e-03  5.6930000000e-04 -2.8459000000e-03  3.0055000000e-03
-
-JOB 22
-COORDS  1.7595400000e-01  9.9579600000e-01  1.1380440000e+00  4.8842000000e-01  5.1605800000e-01  3.7094000000e-01 -6.8564800000e-01  6.2105100000e-01  1.3209070000e+00 -1.9085500000e-01 -8.9269900000e-01 -1.0756940000e+00 -3.7142100000e-01 -1.8305380000e+00 -1.0117810000e+00  6.3016900000e-01 -8.3916800000e-01 -1.5648630000e+00
-ENERGY -1.526579730158e+02
-FORCES -5.2138000000e-03 -8.4166000000e-03 -7.5748000000e-03  4.8778000000e-03  4.8577000000e-03  2.4932000000e-03  1.9638000000e-03  2.1416000000e-03  2.1222000000e-03  1.1345000000e-03 -4.1287000000e-03 -1.1823000000e-03  7.2520000000e-04  4.5686000000e-03 -7.0610000000e-04 -3.4874000000e-03  9.7740000000e-04  4.8478000000e-03
-
-JOB 23
-COORDS  8.2350000000e-02 -3.4289300000e-01 -1.3660690000e+00  3.2118800000e-01  4.0142300000e-01 -1.9185030000e+00  4.4561200000e-01 -1.1040540000e+00 -1.8187350000e+00 -1.4558400000e-01  3.3848800000e-01  1.4757190000e+00 -2.1854600000e-01 -2.7235200000e-01  7.4238200000e-01  4.8184800000e-01  9.9716700000e-01  1.1778880000e+00
-ENERGY -1.526591585491e+02
-FORCES  1.7092000000e-03  1.7415000000e-03 -3.3492000000e-03 -2.5050000000e-04 -3.8342000000e-03  2.2736000000e-03 -1.6005000000e-03  3.8421000000e-03  2.3677000000e-03  2.7143000000e-03 -1.0994000000e-03 -1.1032400000e-02 -9.7980000000e-04 -2.9620000000e-04  7.6367000000e-03 -1.5927000000e-03 -3.5370000000e-04  2.1036000000e-03
-
-JOB 24
-COORDS  1.2364790000e+00  7.6906500000e-01 -1.5240700000e-01  1.6809160000e+00  1.4737610000e+00  3.1888000000e-01  4.0564600000e-01  1.1537840000e+00 -4.3158400000e-01 -1.2509200000e+00 -7.9998900000e-01  8.6211000000e-02 -5.4949600000e-01 -1.4475740000e+00  1.6428000000e-02 -1.3436930000e+00 -6.4707900000e-01  1.0265540000e+00
-ENERGY -1.526572427227e+02
-FORCES -5.1260000000e-03  2.6577000000e-03 -6.6380000000e-04 -2.8518000000e-03 -3.0869000000e-03 -1.1128000000e-03  6.1751000000e-03  1.4317000000e-03  9.9200000000e-04  7.2327000000e-03 -1.8021000000e-03  4.2219000000e-03 -4.8524000000e-03  9.2010000000e-04  1.3980000000e-04 -5.7760000000e-04 -1.2050000000e-04 -3.5771000000e-03
-
-JOB 25
-COORDS -8.9746900000e-01 -1.1648030000e+00 -8.5655000000e-02 -3.3486900000e-01 -1.2368770000e+00 -8.5670500000e-01 -5.9281000000e-01 -1.8584330000e+00  4.9940300000e-01  8.7592700000e-01  1.2572120000e+00  1.3115300000e-01  1.1590520000e+00  8.5882300000e-01 -6.9186400000e-01  3.6184000000e-02  8.3994000000e-01  3.2337300000e-01
-ENERGY -1.526573112480e+02
-FORCES  4.2879000000e-03 -4.8795000000e-03 -2.8350000000e-04 -1.5206000000e-03  2.6305000000e-03  3.7475000000e-03 -1.4451000000e-03  3.2201000000e-03 -3.1626000000e-03 -6.0937000000e-03 -7.0326000000e-03 -1.8658000000e-03 -5.9370000000e-04  2.2880000000e-04  2.0165000000e-03  5.3653000000e-03  5.8326000000e-03 -4.5220000000e-04
-
-JOB 26
-COORDS -9.4343800000e-01 -8.8401200000e-01  7.4322700000e-01 -1.3235550000e+00 -1.2650400000e-01  2.9834100000e-01 -1.1475730000e+00 -1.6248690000e+00  1.7253400000e-01  9.8882800000e-01  9.4031500000e-01 -7.3073300000e-01  1.6078190000e+00  3.1201200000e-01 -3.5882200000e-01  1.3817000000e-01  6.7466800000e-01 -3.8138300000e-01
-ENERGY -1.526525906193e+02
-FORCES -3.7901000000e-03 -1.6311000000e-03 -4.3712000000e-03  9.3001000000e-03 -3.2320000000e-04 -5.8290000000e-04  1.3964000000e-03  3.8082000000e-03  3.1274000000e-03 -1.0621000000e-03 -8.3692000000e-03  7.0818000000e-03 -1.6160000000e-04  3.2658000000e-03 -2.9818000000e-03 -5.6828000000e-03  3.2496000000e-03 -2.2732000000e-03
-
-JOB 27
-COORDS  9.6733000000e-02  1.4330960000e+00 -2.5129500000e-01 -2.5587100000e-01  2.0292730000e+00  4.0936800000e-01  8.6876200000e-01  1.8837000000e+00 -5.9358000000e-01 -1.3228500000e-01 -1.5460950000e+00  1.9872000000e-01  1.2046100000e-01 -1.4659850000e+00  1.1184660000e+00 -2.0016300000e-01 -6.4295300000e-01 -1.1105100000e-01
-ENERGY -1.526608557396e+02
-FORCES  2.2518000000e-03  4.2821000000e-03  7.2230000000e-04  2.3889000000e-03 -2.6366000000e-03 -2.8686000000e-03 -3.8684000000e-03 -1.0623000000e-03  2.2432000000e-03  1.5967000000e-03  9.2894000000e-03  1.1822000000e-03 -9.5070000000e-04 -8.9940000000e-04 -2.2828000000e-03 -1.4183000000e-03 -8.9732000000e-03  1.0038000000e-03
-
-JOB 28
-COORDS -3.1449000000e-02 -1.3229300000e+00 -8.3566900000e-01 -8.8126300000e-01 -1.0740530000e+00 -4.7220000000e-01  4.7712800000e-01 -1.6144620000e+00 -7.8972000000e-02 -4.2720000000e-03  1.3166640000e+00  7.9797500000e-01  8.4834300000e-01  9.4937500000e-01  1.0311670000e+00  1.6476300000e-01  1.8349630000e+00  1.1193000000e-02
-ENERGY -1.526552787232e+02
-FORCES -2.8759000000e-03  3.5557000000e-03  7.2281000000e-03  2.4243000000e-03 -3.4769000000e-03 -3.0459000000e-03 -4.7650000000e-04  1.0930000000e-03 -2.8504000000e-03  5.3359000000e-03 -9.8350000000e-04 -5.6217000000e-03 -3.3999000000e-03  6.9440000000e-04  3.0880000000e-04 -1.0079000000e-03 -8.8270000000e-04  3.9812000000e-03
-
-JOB 29
-COORDS  6.3364100000e-01 -4.2090500000e-01 -1.3869960000e+00 -1.9842200000e-01 -5.5935500000e-01 -1.8394710000e+00  4.0330400000e-01 -4.1368000000e-01 -4.5795100000e-01 -5.0922400000e-01  4.2806800000e-01  1.3433360000e+00 -9.8675400000e-01 -2.3634500000e-01  1.8400770000e+00 -1.1661430000e+00  1.0938920000e+00  1.1399460000e+00
-ENERGY -1.526598775869e+02
-FORCES -5.1653000000e-03  1.4087000000e-03  6.5988000000e-03  2.4889000000e-03  6.1350000000e-04  1.3011000000e-03  3.0440000000e-03 -3.8246000000e-03 -8.2423000000e-03 -5.1056000000e-03  2.8719000000e-03  2.6808000000e-03  2.2528000000e-03  2.8482000000e-03 -3.6149000000e-03  2.4852000000e-03 -3.9177000000e-03  1.2765000000e-03
-
-JOB 30
-COORDS  1.0130100000e-01 -7.6319100000e-01 -1.3711290000e+00  3.3384400000e-01 -1.6320100000e-01 -2.0797670000e+00 -1.4165400000e-01 -1.9162900000e-01 -6.4276000000e-01 -7.7530000000e-02  6.4943700000e-01  1.3193870000e+00  3.4849200000e-01  1.4459410000e+00  1.6361190000e+00 -9.0102500000e-01  6.0815500000e-01  1.8055800000e+00
-ENERGY -1.526603294202e+02
-FORCES  3.6060000000e-04  5.9370000000e-03  4.9529000000e-03 -6.2050000000e-04 -1.6622000000e-03  2.5453000000e-03 -1.0424000000e-03 -4.4900000000e-03 -8.7967000000e-03 -8.9800000000e-05  3.0307000000e-03  4.8941000000e-03 -2.6074000000e-03 -3.4848000000e-03 -9.2380000000e-04  3.9994000000e-03  6.6930000000e-04 -2.6718000000e-03
-
-JOB 31
-COORDS  1.3343790000e+00  6.6224500000e-01  4.2411000000e-02  1.7833100000e+00 -1.5789100000e-01 -1.6269800000e-01  1.9602040000e+00  1.1513010000e+00  5.7663800000e-01 -1.4367490000e+00 -6.3280400000e-01 -9.4090000000e-03 -1.6881680000e+00 -9.6870700000e-01 -8.6975100000e-01 -4.9755200000e-01 -4.6333400000e-01 -8.3033000000e-02
-ENERGY -1.526575583445e+02
-FORCES  5.3327000000e-03  2.0437000000e-03  3.3894000000e-03 -5.4333000000e-03  3.0025000000e-03  9.1150000000e-04 -1.6265000000e-03 -2.4972000000e-03 -3.2105000000e-03  5.0662000000e-03  3.3960000000e-03 -2.4579000000e-03  1.6785000000e-03  1.0558000000e-03  3.0442000000e-03 -5.0177000000e-03 -7.0008000000e-03 -1.6767000000e-03
-
-JOB 32
-COORDS  5.2721400000e-01 -1.3431200000e+00 -7.0397500000e-01 -3.9922900000e-01 -1.2411180000e+00 -4.8595800000e-01  9.4923600000e-01 -5.7205500000e-01 -3.2504600000e-01 -5.0991500000e-01  1.2258880000e+00  6.6939600000e-01 -5.3113000000e-02  1.7812850000e+00  3.7654000000e-02 -7.8451500000e-01  1.8263820000e+00  1.3623850000e+00
-ENERGY -1.526580121129e+02
-FORCES -4.2880000000e-03  5.9128000000e-03  5.9099000000e-03  2.9044000000e-03 -3.1051000000e-03 -2.7674000000e-03  1.5361000000e-03 -2.2962000000e-03 -4.0152000000e-03 -4.6070000000e-04  5.6927000000e-03  1.1157000000e-03 -9.2120000000e-04 -3.8640000000e-03  3.2941000000e-03  1.2293000000e-03 -2.3401000000e-03 -3.5371000000e-03
-
-JOB 33
-COORDS  5.2863800000e-01 -9.3051700000e-01  1.1857270000e+00  1.4826590000e+00 -9.6068900000e-01  1.2575940000e+00  3.6440600000e-01 -4.7001000000e-01  3.6280900000e-01 -5.9559400000e-01  9.2132600000e-01 -1.0852790000e+00  9.3840000000e-02  1.3798940000e+00 -1.5655160000e+00 -8.3659900000e-01  1.8883000000e-01 -1.6523750000e+00
-ENERGY -1.526587421412e+02
-FORCES  5.1480000000e-04  5.2097000000e-03 -4.5249000000e-03 -3.3614000000e-03  4.7880000000e-04 -8.6830000000e-04  3.9228000000e-03 -7.8098000000e-03  4.7170000000e-03 -1.3756000000e-03  2.4800000000e-03 -6.5779000000e-03 -2.7647000000e-03 -3.2646000000e-03  2.8757000000e-03  3.0641000000e-03  2.9060000000e-03  4.3785000000e-03
-
-JOB 34
-COORDS -4.0904000000e-01 -3.0490800000e-01 -1.4215930000e+00  6.3100000000e-04 -3.6841200000e-01 -2.2843610000e+00 -8.7713900000e-01 -1.1332200000e+00 -1.3166400000e+00  4.5891800000e-01  3.5256400000e-01  1.5176240000e+00  5.4389400000e-01  1.7989100000e-01  5.7997000000e-01 -4.2559000000e-01  7.0452200000e-01  1.6176390000e+00
-ENERGY -1.526605702377e+02
-FORCES -1.2898000000e-03 -4.0266000000e-03 -4.7583000000e-03 -2.1011000000e-03 -2.4890000000e-04  3.9820000000e-03  2.3336000000e-03  4.1293000000e-03 -6.9670000000e-04 -4.1371000000e-03  7.9990000000e-04 -7.6254000000e-03  2.5296000000e-03  7.4940000000e-04  8.1188000000e-03  2.6649000000e-03 -1.4031000000e-03  9.7960000000e-04
-
-JOB 35
-COORDS -3.2661700000e-01 -1.1357550000e+00 -1.1298880000e+00 -4.3992100000e-01 -4.7093400000e-01 -1.8091580000e+00  3.3197000000e-02 -6.5702100000e-01 -3.8317600000e-01  3.5021900000e-01  1.0456120000e+00  1.0706390000e+00  1.2633500000e-01  5.7452900000e-01  1.8732520000e+00 -7.7570000000e-02  1.8967240000e+00  1.1646490000e+00
-ENERGY -1.526597987262e+02
-FORCES  2.1215000000e-03  8.2444000000e-03  2.5603000000e-03 -1.7140000000e-04 -2.6819000000e-03  1.2670000000e-03 -1.8103000000e-03 -7.3768000000e-03 -3.6778000000e-03 -3.1573000000e-03  3.9013000000e-03  4.3271000000e-03  8.9620000000e-04  1.6025000000e-03 -4.7644000000e-03  2.1212000000e-03 -3.6894000000e-03  2.8780000000e-04
-
-JOB 36
-COORDS -1.2078490000e+00  6.2164500000e-01  7.8137800000e-01 -6.3571100000e-01  1.2411050000e+00  1.2343240000e+00 -1.8052220000e+00  1.1724790000e+00  2.7545400000e-01  1.2481640000e+00 -6.4884500000e-01 -8.2400700000e-01  1.3304390000e+00 -1.5513570000e+00 -5.1589200000e-01  4.7455200000e-01 -3.1083200000e-01 -3.7289400000e-01
-ENERGY -1.526610827485e+02
-FORCES -3.3380000000e-03  6.4856000000e-03  1.4759000000e-03 -2.2422000000e-03 -3.7283000000e-03 -3.2972000000e-03  3.0886000000e-03 -2.3214000000e-03  2.7243000000e-03 -6.1688000000e-03 -1.3026000000e-03  4.1735000000e-03 -3.4400000000e-05  3.0427000000e-03 -1.0088000000e-03  8.6947000000e-03 -2.1760000000e-03 -4.0677000000e-03
-
-JOB 37
-COORDS -5.0947300000e-01  9.0543700000e-01  1.1316320000e+00 -5.0379600000e-01  4.5613700000e-01  1.9768130000e+00 -1.0083440000e+00  1.7069980000e+00  1.2893000000e+00  5.5152800000e-01 -9.6094000000e-01 -1.2412050000e+00 -5.0668000000e-02 -2.1925600000e-01 -1.1820690000e+00  8.7894200000e-01 -1.0759510000e+00 -3.4912600000e-01
-ENERGY -1.526580922294e+02
-FORCES -2.3338000000e-03  1.9642000000e-03  5.0150000000e-03  4.6640000000e-04  1.9099000000e-03 -3.8857000000e-03  2.0190000000e-03 -3.7370000000e-03 -6.6870000000e-04 -2.3756000000e-03  5.4929000000e-03  6.8947000000e-03  1.9499000000e-03 -3.4636000000e-03 -4.3219000000e-03  2.7410000000e-04 -2.1665000000e-03 -3.0335000000e-03
-
-JOB 38
-COORDS  2.2585700000e-01 -9.9016400000e-01 -1.2893060000e+00  1.1714520000e+00 -1.0931700000e+00 -1.1821990000e+00 -3.6435000000e-02 -4.1801400000e-01 -5.6814000000e-01 -2.4229600000e-01  9.6996500000e-01  1.1797560000e+00 -9.2693400000e-01  3.6406900000e-01  1.4632940000e+00  1.6192000000e-02  1.4305840000e+00  1.9780330000e+00
-ENERGY -1.526587572173e+02
-FORCES  3.7236000000e-03  5.1203000000e-03  5.0605000000e-03 -2.9985000000e-03 -4.8050000000e-04 -1.0518000000e-03 -2.2700000000e-03 -6.3728000000e-03 -4.0157000000e-03 -9.2870000000e-04  1.8905000000e-03  6.2560000000e-03  4.4207000000e-03  2.0171000000e-03 -3.3029000000e-03 -1.9471000000e-03 -2.1746000000e-03 -2.9461000000e-03
-
-JOB 39
-COORDS -1.4697250000e+00 -5.0536500000e-01 -3.8264400000e-01 -1.5162050000e+00 -5.4070100000e-01 -1.3380620000e+00 -1.0285160000e+00 -1.3175000000e+00 -1.3363800000e-01  1.4923950000e+00  5.8330200000e-01  4.5235600000e-01  1.1287310000e+00 -2.7145100000e-01  6.8339200000e-01  1.0496060000e+00  8.2017800000e-01 -3.6254200000e-01
-ENERGY -1.526541182336e+02
-FORCES -8.6900000000e-04 -4.3422000000e-03 -2.7676000000e-03  1.3456000000e-03  9.1940000000e-04  4.5973000000e-03  3.2140000000e-04  4.8688000000e-03 -4.9910000000e-04 -7.8042000000e-03 -1.8522000000e-03 -2.4578000000e-03  2.5515000000e-03  7.2350000000e-04 -4.5060000000e-04  4.4547000000e-03 -3.1740000000e-04  1.5778000000e-03
-
-JOB 40
-COORDS  1.3841700000e-01 -2.0891000000e-02  1.6889920000e+00  1.1262000000e-02  7.9385700000e-01  1.2029370000e+00 -1.8982400000e-01 -7.0333300000e-01  1.1035330000e+00 -3.8759000000e-02  2.6180000000e-02 -1.6382410000e+00 -4.3483200000e-01 -5.8489000000e-01 -1.0169910000e+00 -7.8259000000e-01  4.6958500000e-01 -2.0460890000e+00
-ENERGY -1.526522081010e+02
-FORCES  4.6100000000e-05  1.8776000000e-03 -5.8210000000e-03 -8.3710000000e-04 -3.5044000000e-03  3.7758000000e-03 -2.3630000000e-04  1.8693000000e-03 -3.9460000000e-04 -4.6909000000e-03 -1.5506000000e-03 -1.2220000000e-03  2.0148000000e-03  2.9793000000e-03  1.0756000000e-03  3.7032000000e-03 -1.6712000000e-03  2.5862000000e-03
-
-JOB 41
-COORDS  1.4984640000e+00 -6.1521300000e-01  3.0130600000e-01  7.7986200000e-01 -1.2470990000e+00  3.2502200000e-01  1.7518860000e+00 -5.7448400000e-01 -6.2083900000e-01 -1.5234440000e+00  6.6462400000e-01 -2.9113600000e-01 -6.0036800000e-01  8.1769300000e-01 -4.9295800000e-01 -1.5163550000e+00  2.7230700000e-01  5.8194500000e-01
-ENERGY -1.526566533437e+02
-FORCES -5.6300000000e-05 -5.0605000000e-03 -3.6846000000e-03  2.5345000000e-03  4.2810000000e-03  6.2340000000e-04 -2.1117000000e-03  1.0971000000e-03  4.2831000000e-03  5.8418000000e-03  5.5920000000e-04  4.5462000000e-03 -5.2580000000e-03 -8.1210000000e-04 -2.0021000000e-03 -9.5030000000e-04 -6.4700000000e-05 -3.7659000000e-03
-
-JOB 42
-COORDS  1.6071890000e+00  3.6015000000e-02  4.1459700000e-01  7.0620500000e-01  2.7426600000e-01  1.9620100000e-01  1.8639210000e+00  6.6275000000e-01  1.0910020000e+00 -1.5346680000e+00 -1.4068300000e-01 -4.0079700000e-01 -2.1197110000e+00  5.3990200000e-01 -6.7989000000e-02 -1.4934710000e+00  1.8333000000e-02 -1.3437970000e+00
-ENERGY -1.526589680232e+02
-FORCES -5.8549000000e-03  1.6939000000e-03  1.3318000000e-03  9.1875000000e-03  1.8569000000e-03  1.0989000000e-03 -1.3587000000e-03 -2.0087000000e-03 -2.4375000000e-03 -6.1878000000e-03  1.2399000000e-03 -3.7199000000e-03  3.7080000000e-03 -2.7919000000e-03 -1.4782000000e-03  5.0600000000e-04  9.8000000000e-06  5.2049000000e-03
-
-JOB 43
-COORDS -6.6335600000e-01  1.4348420000e+00  4.7157200000e-01 -1.4874600000e+00  1.4870520000e+00 -1.2535000000e-02 -8.1538000000e-01  7.5883200000e-01  1.1319740000e+00  7.3376200000e-01 -1.3925440000e+00 -5.5135400000e-01  1.3876900000e-01 -1.9969380000e+00 -1.0759300000e-01  1.1175650000e+00 -8.7212000000e-01  1.5439900000e-01
-ENERGY -1.526530370883e+02
-FORCES -4.6169000000e-03 -3.6369000000e-03 -1.8785000000e-03  2.8558000000e-03  4.2040000000e-04  2.7957000000e-03  1.9446000000e-03  2.0278000000e-03 -2.0392000000e-03 -4.1730000000e-04  2.2045000000e-03  4.0943000000e-03  1.7211000000e-03  3.1453000000e-03 -1.3990000000e-03 -1.4874000000e-03 -4.1611000000e-03 -1.5733000000e-03
-
-JOB 44
-COORDS -1.0061020000e+00 -1.2190240000e+00  3.3925800000e-01 -4.2601100000e-01 -1.9143930000e+00  6.4940000000e-01 -1.8815780000e+00 -1.5005970000e+00  6.0476000000e-01  1.0070200000e+00  1.3283510000e+00 -3.9779100000e-01  8.5505300000e-01  4.4441000000e-01 -7.3213800000e-01  1.4991460000e+00  1.1970770000e+00  4.1264700000e-01
-ENERGY -1.526553388620e+02
-FORCES -3.6605000000e-03 -3.6101000000e-03  2.9412000000e-03 -1.4552000000e-03  3.9111000000e-03 -1.8919000000e-03  3.9864000000e-03  7.2090000000e-04 -8.1450000000e-04 -1.9833000000e-03 -5.8891000000e-03  2.8121000000e-03  4.0619000000e-03  4.1518000000e-03 -5.2000000000e-06 -9.4940000000e-04  7.1550000000e-04 -3.0417000000e-03
-
-JOB 45
-COORDS  4.1926600000e-01 -1.6170770000e+00 -5.6765600000e-01  6.0664900000e-01 -8.0129700000e-01 -1.0320080000e+00  3.1606300000e-01 -1.3543410000e+00  3.4697600000e-01 -4.4684500000e-01  1.4911160000e+00  5.4135000000e-01 -8.6851200000e-01  2.2791480000e+00  1.9866400000e-01  3.8500600000e-01  1.8005970000e+00  8.9978700000e-01
-ENERGY -1.526568994502e+02
-FORCES -2.1062000000e-03  7.1234000000e-03  2.5661000000e-03  1.2778000000e-03 -4.4721000000e-03  1.2100000000e-04  2.1112000000e-03 -3.1012000000e-03 -2.6909000000e-03 -2.1040000000e-04  6.1820000000e-03  5.7930000000e-04  2.3207000000e-03 -3.2412000000e-03  1.5282000000e-03 -3.3930000000e-03 -2.4909000000e-03 -2.1036000000e-03
-
-JOB 46
-COORDS -1.3451630000e+00  1.3023000000e-02 -9.6999900000e-01 -1.8118790000e+00 -4.0810200000e-01 -1.6918450000e+00 -1.1644580000e+00  8.9857700000e-01 -1.2852340000e+00  1.3956630000e+00  1.6670000000e-02  1.0313070000e+00  1.3795340000e+00 -6.4098800000e-01  3.3599600000e-01  8.0840600000e-01 -3.2986500000e-01  1.7030770000e+00
-ENERGY -1.526562029811e+02
-FORCES -1.3076000000e-03  3.7772000000e-03 -3.9068000000e-03  2.4798000000e-03  1.4728000000e-03  3.2042000000e-03 -1.6342000000e-03 -4.1145000000e-03  4.2670000000e-04 -5.4217000000e-03 -4.4839000000e-03 -1.5863000000e-03  2.5655000000e-03  2.0731000000e-03  3.2405000000e-03  3.3182000000e-03  1.2753000000e-03 -1.3782000000e-03
-
-JOB 47
-COORDS -8.7075200000e-01  1.4137760000e+00 -6.7317300000e-01 -4.2365000000e-02  1.0278230000e+00 -3.8848400000e-01 -1.5401150000e+00  9.2695200000e-01 -1.9235300000e-01  8.7825400000e-01 -1.3058240000e+00  6.2247500000e-01  6.2730000000e-03 -1.6199240000e+00  8.6168800000e-01  1.4064790000e+00 -2.1002630000e+00  5.4452600000e-01
-ENERGY -1.526571161935e+02
-FORCES  2.5731000000e-03 -4.6228000000e-03  3.3347000000e-03 -5.1375000000e-03  4.2121000000e-03 -1.8523000000e-03  1.8550000000e-03  1.4446000000e-03 -1.6445000000e-03  6.0400000000e-05 -6.5302000000e-03  7.0530000000e-04  3.2899000000e-03  2.4295000000e-03 -1.2700000000e-03 -2.6409000000e-03  3.0668000000e-03  7.2690000000e-04
-
-JOB 48
-COORDS -7.7703100000e-01  1.4367610000e+00  6.0937200000e-01 -8.2530000000e-01  1.7755740000e+00  1.5033010000e+00  9.6111000000e-02  1.0496270000e+00  5.4627500000e-01  7.5646100000e-01 -1.4655100000e+00 -7.0443600000e-01  1.1755300000e+00 -9.1324100000e-01 -4.4427000000e-02 -1.7550400000e-01 -1.4321450000e+00 -4.8865800000e-01
-ENERGY -1.526534370233e+02
-FORCES  3.2323000000e-03  1.9121000000e-03  3.2336000000e-03  4.2060000000e-04 -1.8399000000e-03 -4.1110000000e-03 -3.2836000000e-03 -8.4550000000e-04  1.1063000000e-03 -3.3632000000e-03  1.1533000000e-03  3.1514000000e-03 -2.3514000000e-03  3.5170000000e-04 -2.4375000000e-03  5.3454000000e-03 -7.3170000000e-04 -9.4280000000e-04
-
-JOB 49
-COORDS -1.8354000000e-01 -1.0741400000e+00 -1.3961600000e+00 -8.8489600000e-01 -1.7245810000e+00 -1.4316290000e+00 -5.0974400000e-01 -4.0185500000e-01 -7.9795000000e-01  1.9669600000e-01  1.0476500000e+00  1.3239860000e+00  1.1490030000e+00  9.7536500000e-01  1.3881650000e+00 -5.4332000000e-02  1.5853060000e+00  2.0750810000e+00
-ENERGY -1.526585544561e+02
-FORCES -4.0072000000e-03  1.3932000000e-03  3.8589000000e-03  2.4803000000e-03  2.3367000000e-03  3.5600000000e-05  6.3150000000e-04 -4.8189000000e-03 -5.6675000000e-03  3.7649000000e-03  2.4363000000e-03  4.3438000000e-03 -4.3360000000e-03  9.3700000000e-04  3.3710000000e-04  1.4665000000e-03 -2.2843000000e-03 -2.9079000000e-03
-
-JOB 50
-COORDS  9.6248300000e-01  1.5215010000e+00 -2.3855500000e-01  1.6549770000e+00  1.2262550000e+00 -8.2975300000e-01  1.9049000000e-01  1.6085490000e+00 -7.9773400000e-01 -1.0262030000e+00 -1.5065660000e+00  2.8153400000e-01 -6.4455400000e-01 -1.8434630000e+00  1.0921360000e+00 -2.7494100000e-01 -1.2109080000e+00 -2.3268700000e-01
-ENERGY -1.526553644165e+02
-FORCES -7.4420000000e-04  2.0018000000e-03 -4.4648000000e-03 -3.5545000000e-03 -8.8500000000e-05  2.8811000000e-03  4.1964000000e-03 -1.1845000000e-03  2.0820000000e-03  5.7417000000e-03  1.3245000000e-03  2.5546000000e-03 -1.8182000000e-03  4.7010000000e-04 -3.2819000000e-03 -3.8211000000e-03 -2.5234000000e-03  2.2890000000e-04
-
-JOB 51
-COORDS  1.5916930000e+00  1.9999700000e-01  8.2445500000e-01  8.0229300000e-01 -1.5680900000e-01  1.2316020000e+00  2.3022250000e+00 -3.4814500000e-01  1.1574970000e+00 -1.5198590000e+00 -1.7466200000e-01 -8.4254400000e-01 -2.0717040000e+00  4.8311100000e-01 -4.1942100000e-01 -2.0249520000e+00 -4.5721100000e-01 -1.6049610000e+00
-ENERGY -1.526543793594e+02
-FORCES -1.9009000000e-03 -4.4298000000e-03  1.6990000000e-03  4.3100000000e-03  2.2255000000e-03  5.2410000000e-04 -2.6926000000e-03  2.1805000000e-03 -1.4433000000e-03 -4.0700000000e-03  2.0380000000e-03 -2.9393000000e-03  2.4302000000e-03 -3.2472000000e-03 -1.0725000000e-03  1.9233000000e-03  1.2329000000e-03  3.2321000000e-03
-
-JOB 52
-COORDS -1.7143080000e+00  4.1217800000e-01 -6.1866700000e-01 -1.3459850000e+00  1.2333500000e+00 -9.4462300000e-01 -9.5451000000e-01 -9.4636000000e-02 -3.3217200000e-01  1.6970590000e+00 -3.9278900000e-01  6.0193200000e-01  1.2092560000e+00 -3.2871600000e-01  1.4230130000e+00  1.3479420000e+00 -1.1755990000e+00  1.7583700000e-01
-ENERGY -1.526554467828e+02
-FORCES  6.0612000000e-03  2.4891000000e-03 -5.9050000000e-04 -2.4829000000e-03 -3.1149000000e-03  1.1159000000e-03 -4.4233000000e-03 -2.3610000000e-04 -5.2560000000e-04 -2.0630000000e-04 -4.0741000000e-03  3.4772000000e-03  1.4304000000e-03 -1.3470000000e-04 -4.9300000000e-03 -3.7900000000e-04  5.0707000000e-03  1.4530000000e-03
-
-JOB 53
-COORDS -9.8476900000e-01 -1.5072350000e+00 -5.7954700000e-01 -4.4386700000e-01 -2.2173790000e+00 -9.2502100000e-01 -1.2082430000e+00 -9.8062300000e-01 -1.3469910000e+00  9.9075800000e-01  1.4780860000e+00  6.0460900000e-01  1.2474520000e+00  1.7261440000e+00  1.4927570000e+00  2.3539700000e-01  2.0326580000e+00  4.0938800000e-01
-ENERGY -1.526531547860e+02
-FORCES  2.9694000000e-03  3.9200000000e-05 -4.2623000000e-03 -2.6012000000e-03  2.3864000000e-03  1.2887000000e-03  1.1830000000e-04 -2.0369000000e-03  2.9709000000e-03 -2.9817000000e-03  2.1625000000e-03  3.4170000000e-03 -7.5660000000e-04 -8.2380000000e-04 -3.6498000000e-03  3.2518000000e-03 -1.7275000000e-03  2.3550000000e-04
-
-JOB 54
-COORDS -1.4582120000e+00 -1.0704510000e+00 -3.7100800000e-01 -1.7044300000e+00 -1.8721860000e+00 -8.3234300000e-01 -2.1474290000e+00 -9.4792100000e-01  2.8183000000e-01  1.5025110000e+00  1.0415860000e+00  3.7063500000e-01  1.9775490000e+00  1.6556970000e+00  9.3049100000e-01  1.2106830000e+00  1.5703020000e+00 -3.7201400000e-01
-ENERGY -1.526531806770e+02
-FORCES -3.2900000000e-03 -3.0040000000e-03  1.7077000000e-03  1.0623000000e-03  3.4431000000e-03  1.7647000000e-03  2.4488000000e-03 -4.9300000000e-04 -2.9783000000e-03 -1.3310000000e-04  4.1978000000e-03 -1.6748000000e-03 -2.1296000000e-03 -2.7499000000e-03 -2.0526000000e-03  2.0417000000e-03 -1.3941000000e-03  3.2332000000e-03
-
-JOB 55
-COORDS  1.6995590000e+00  7.2056700000e-01 -5.6906200000e-01  2.2589170000e+00  1.2068560000e+00 -1.1747640000e+00  1.1145180000e+00  2.1658200000e-01 -1.1347100000e+00 -1.6874460000e+00 -6.6166400000e-01  5.9479500000e-01 -1.3291860000e+00 -1.5150230000e+00  3.5054000000e-01 -2.2453480000e+00 -8.4317600000e-01  1.3511220000e+00
-ENERGY -1.526537963071e+02
-FORCES -1.4366000000e-03  3.1480000000e-04 -4.5869000000e-03 -2.2278000000e-03 -1.9326000000e-03  2.5914000000e-03  3.6217000000e-03  1.1824000000e-03  1.6847000000e-03 -7.0590000000e-04 -3.8959000000e-03  3.4908000000e-03 -1.3115000000e-03  3.7562000000e-03  4.8800000000e-05  2.0602000000e-03  5.7510000000e-04 -3.2288000000e-03
-
-JOB 56
-COORDS  6.3038600000e-01 -1.7522830000e+00 -5.9279600000e-01  3.2634300000e-01 -2.0158970000e+00  2.7570700000e-01 -5.8361000000e-02 -2.0479440000e+00 -1.1881480000e+00 -5.1784600000e-01  1.7792620000e+00  5.6998600000e-01 -1.0688720000e+00  2.4425940000e+00  9.8543000000e-01 -1.1307620000e+00  1.0999360000e+00  2.8877100000e-01
-ENERGY -1.526534601313e+02
-FORCES -2.6692000000e-03 -2.8013000000e-03  1.2834000000e-03  6.2370000000e-04  1.1429000000e-03 -3.9641000000e-03  2.4476000000e-03  1.8409000000e-03  2.7514000000e-03 -4.3011000000e-03 -4.1410000000e-04 -2.1750000000e-04  2.4056000000e-03 -2.8973000000e-03 -1.6991000000e-03  1.4934000000e-03  3.1289000000e-03  1.8459000000e-03
-
-JOB 57
-COORDS -9.7445400000e-01  1.4010280000e+00  1.1850290000e+00 -4.9983100000e-01  1.9389190000e+00  5.5128000000e-01 -1.1288250000e+00  5.7345000000e-01  7.2948900000e-01  8.8889800000e-01 -1.3589180000e+00 -1.1256420000e+00  1.3304910000e+00 -1.9782780000e+00 -1.7066930000e+00  1.5493570000e+00 -1.1309130000e+00 -4.7139400000e-01
-ENERGY -1.526564719198e+02
-FORCES  7.2000000000e-04 -1.7188000000e-03 -5.4382000000e-03 -1.5376000000e-03 -1.6806000000e-03  3.0552000000e-03  3.9310000000e-04  4.1273000000e-03  3.1496000000e-03  5.1106000000e-03 -2.6825000000e-03 -2.9270000000e-04 -1.5533000000e-03  2.6305000000e-03  2.5351000000e-03 -3.1329000000e-03 -6.7600000000e-04 -3.0090000000e-03
-
-JOB 58
-COORDS -2.1898900000e-01 -1.4272370000e+00 -1.4768220000e+00 -3.4755000000e-01 -1.3352320000e+00 -5.3276800000e-01  7.3105000000e-01 -1.4101690000e+00 -1.5924380000e+00  1.5071100000e-01  1.4109200000e+00  1.3745330000e+00  3.3585000000e-02  9.0392900000e-01  2.1779470000e+00  7.3596100000e-01  2.1257440000e+00  1.6250170000e+00
-ENERGY -1.526548368866e+02
-FORCES  3.4171000000e-03  2.4143000000e-03  4.0757000000e-03  1.4690000000e-04 -2.3505000000e-03 -3.7790000000e-03 -3.5399000000e-03 -7.7700000000e-04  9.3000000000e-06  1.8353000000e-03  2.5170000000e-03  4.5771000000e-03  5.8630000000e-04  1.3288000000e-03 -4.0062000000e-03 -2.4456000000e-03 -3.1326000000e-03 -8.7680000000e-04
-
-JOB 59
-COORDS  1.1985000000e+00 -1.5444550000e+00  6.4429600000e-01  8.7415700000e-01 -6.6846200000e-01  4.3532300000e-01  1.8254010000e+00 -1.4052440000e+00  1.3541180000e+00 -1.2255470000e+00  1.4172630000e+00 -6.4695100000e-01 -1.7894190000e+00  2.1836770000e+00 -5.4259800000e-01 -4.9225600000e-01  1.7292380000e+00 -1.1772230000e+00
-ENERGY -1.526554915408e+02
-FORCES -2.6060000000e-04  4.4935000000e-03  2.1511000000e-03  3.6725000000e-03 -4.1774000000e-03  6.2220000000e-04 -2.3092000000e-03 -5.5190000000e-04 -2.8558000000e-03 -1.1826000000e-03  5.2264000000e-03 -2.4367000000e-03  2.5160000000e-03 -3.0986000000e-03 -7.0660000000e-04 -2.4361000000e-03 -1.8921000000e-03  3.2258000000e-03
-
-JOB 60
-COORDS -7.7710000000e-03 -1.7070810000e+00  1.1304470000e+00  4.9916000000e-02 -1.1368660000e+00  1.8971010000e+00  1.0641800000e-01 -2.5909710000e+00  1.4796330000e+00  2.7842000000e-02  1.7324560000e+00 -1.2642040000e+00  4.5535600000e-01  1.4753650000e+00 -4.4727800000e-01 -8.9138100000e-01  1.8534790000e+00 -1.0262640000e+00
-ENERGY -1.526541296221e+02
-FORCES  7.4940000000e-04 -2.6722000000e-03  4.5643000000e-03 -1.8790000000e-04 -1.4781000000e-03 -3.7608000000e-03 -5.5700000000e-04  3.7901000000e-03 -1.3039000000e-03 -2.1092000000e-03 -2.2646000000e-03  4.2859000000e-03 -1.5442000000e-03  2.4208000000e-03 -2.8610000000e-03  3.6489000000e-03  2.0410000000e-04 -9.2450000000e-04
-
-JOB 61
-COORDS -1.8830600000e+00 -6.6374500000e-01  7.8968700000e-01 -2.2734930000e+00 -1.5322760000e+00  6.9249100000e-01 -2.0407440000e+00 -2.3428100000e-01 -5.1103000000e-02  1.9004680000e+00  7.4720000000e-01 -7.6639800000e-01  1.2668540000e+00  9.7641000000e-02 -4.6170400000e-01  2.7526690000e+00  3.7895700000e-01 -5.3319500000e-01
-ENERGY -1.526555432401e+02
-FORCES -4.0190000000e-03 -1.5075000000e-03 -3.3027000000e-03  1.9140000000e-03  3.6625000000e-03  3.2430000000e-04  1.5037000000e-03 -2.3243000000e-03  3.5703000000e-03  6.6440000000e-04 -4.1967000000e-03  3.1884000000e-03  3.1902000000e-03  2.9213000000e-03 -2.6779000000e-03 -3.2532000000e-03  1.4448000000e-03 -1.1025000000e-03
-
-JOB 62
-COORDS  7.0382000000e-01  2.0837120000e+00 -2.5855400000e-01  1.1210700000e-01  1.8504070000e+00 -9.7386900000e-01  1.4705100000e-01  2.5349450000e+00  3.7597600000e-01 -6.4294100000e-01 -2.0351740000e+00  2.3063500000e-01 -2.9237400000e-01 -2.2684150000e+00  1.0902480000e+00 -9.9034600000e-01 -2.8562700000e+00 -1.1770800000e-01
-ENERGY -1.526543721276e+02
-FORCES -5.1775000000e-03 -4.3410000000e-04 -4.4260000000e-04  2.5431000000e-03  2.0472000000e-03  2.5156000000e-03  2.3916000000e-03 -1.4566000000e-03 -2.3671000000e-03  7.5220000000e-04 -4.2806000000e-03  2.4326000000e-03 -1.8470000000e-03  6.2930000000e-04 -3.4562000000e-03  1.3377000000e-03  3.4948000000e-03  1.3176000000e-03
-
-JOB 63
-COORDS  5.8217700000e-01  2.1153580000e+00 -7.2307800000e-01  1.0033950000e+00  1.3776600000e+00 -1.1642220000e+00  6.2776800000e-01  1.8962450000e+00  2.0759000000e-01 -5.6330200000e-01 -2.0440080000e+00  7.3724200000e-01 -1.3200900000e+00 -1.4933080000e+00  5.3665800000e-01 -6.6338300000e-01 -2.8063410000e+00  1.6709900000e-01
-ENERGY -1.526554591260e+02
-FORCES  2.5650000000e-03 -4.2778000000e-03  2.3525000000e-03 -1.8829000000e-03  3.3734000000e-03  1.2685000000e-03 -5.9730000000e-04  1.4330000000e-03 -3.8636000000e-03 -4.1397000000e-03 -1.5353000000e-03 -2.9546000000e-03  3.5619000000e-03 -2.2348000000e-03  9.2110000000e-04  4.9300000000e-04  3.2415000000e-03  2.2761000000e-03
-
-JOB 64
-COORDS -1.4172650000e+00 -1.7578080000e+00 -5.2731000000e-02 -1.5782820000e+00 -2.4416710000e+00 -7.0283600000e-01 -9.6735600000e-01 -2.2076760000e+00  6.6241500000e-01  1.4207080000e+00  1.8237680000e+00 -9.5200000000e-03  8.0896000000e-01  2.4504550000e+00  3.7682100000e-01  1.6493510000e+00  1.2363340000e+00  7.1081100000e-01
-ENERGY -1.526536701763e+02
-FORCES  1.3081000000e-03 -4.6424000000e-03 -4.2340000000e-04  5.2340000000e-04  2.6827000000e-03  2.8353000000e-03 -1.7088000000e-03  2.1087000000e-03 -2.6409000000e-03 -2.6176000000e-03 -4.8230000000e-04  4.2545000000e-03  2.8545000000e-03 -2.1427000000e-03 -1.4174000000e-03 -3.5960000000e-04  2.4760000000e-03 -2.6081000000e-03
-
-JOB 65
-COORDS  7.5492600000e-01 -1.7873480000e+00  1.2156420000e+00  2.4512400000e-01 -2.3114350000e+00  5.9785000000e-01  1.5307290000e+00 -2.3177920000e+00  1.3972720000e+00 -8.0806000000e-01  1.8039230000e+00 -1.2187790000e+00 -8.7543700000e-01  2.1323940000e+00 -3.2223100000e-01 -1.1081200000e-01  2.3270560000e+00 -1.6142650000e+00
-ENERGY -1.526544680100e+02
-FORCES  7.3310000000e-04 -4.1898000000e-03 -2.4126000000e-03  2.2724000000e-03  1.6664000000e-03  2.9522000000e-03 -3.0664000000e-03  2.2254000000e-03 -6.8540000000e-04  3.0630000000e-03  3.0033000000e-03  2.7722000000e-03 -1.0430000000e-04 -7.5760000000e-04 -3.9751000000e-03 -2.8978000000e-03 -1.9477000000e-03  1.3487000000e-03
-
-JOB 66
-COORDS -1.2644340000e+00 -1.1597090000e+00  1.6689000000e+00 -1.8393800000e+00 -1.9201390000e+00  1.7550120000e+00 -1.5396600000e+00 -7.4194100000e-01  8.5284100000e-01  1.2755440000e+00  1.2262810000e+00 -1.6035850000e+00  1.3736080000e+00  9.2240500000e-01 -2.5059570000e+00  1.8902170000e+00  6.9081800000e-01 -1.1018990000e+00
-ENERGY -1.526549660217e+02
-FORCES -3.5907000000e-03 -8.0040000000e-04 -3.1302000000e-03  2.3777000000e-03  2.9946000000e-03 -3.8780000000e-04  8.5020000000e-04 -2.3998000000e-03  3.6932000000e-03  3.5559000000e-03 -3.2461000000e-03 -1.3677000000e-03 -6.1490000000e-04  1.1665000000e-03  3.6959000000e-03 -2.5782000000e-03  2.2852000000e-03 -2.5034000000e-03
-
-JOB 67
-COORDS -6.3324300000e-01 -2.0204280000e+00  1.1479410000e+00 -3.7981800000e-01 -2.9272050000e+00  1.3204610000e+00 -4.4889900000e-01 -1.5598320000e+00  1.9665380000e+00  5.9594000000e-01  1.9793530000e+00 -1.2192310000e+00  1.4437140000e+00  2.3813630000e+00 -1.0297600000e+00 -3.0568000000e-02  2.7004780000e+00 -1.1584120000e+00
-ENERGY -1.526532140959e+02
-FORCES  2.0693000000e-03 -1.3405000000e-03  3.7285000000e-03 -1.0628000000e-03  3.6633000000e-03 -7.1650000000e-04 -9.0100000000e-04 -2.0985000000e-03 -3.0466000000e-03  6.7920000000e-04  4.3055000000e-03  9.3690000000e-04 -3.4370000000e-03 -1.6596000000e-03 -6.9530000000e-04  2.6522000000e-03 -2.8702000000e-03 -2.0700000000e-04
-
-JOB 68
-COORDS -3.0916700000e-01 -2.4660100000e+00  1.6919700000e-01 -1.3580100000e-01 -1.5297650000e+00  7.1101000000e-02  1.6546600000e-01 -2.8750740000e+00 -5.5442000000e-01  2.2417900000e-01  2.4734400000e+00 -1.0357100000e-01  6.7325700000e-01  2.5211740000e+00 -9.4753900000e-01  6.8158400000e-01  1.7805690000e+00  3.7281300000e-01
-ENERGY -1.526535100958e+02
-FORCES  2.0010000000e-03  1.9712000000e-03 -3.5929000000e-03  1.4460000000e-04 -3.7293000000e-03  6.8630000000e-04 -1.8230000000e-03  1.8336000000e-03  3.0615000000e-03  3.9948000000e-03 -1.4391000000e-03 -1.2225000000e-03 -1.9779000000e-03 -6.3670000000e-04  3.5980000000e-03 -2.3396000000e-03  2.0004000000e-03 -2.5303000000e-03
-
-JOB 69
-COORDS -4.6067200000e-01 -8.1300400000e-01 -2.4486460000e+00 -1.3145190000e+00 -4.1896100000e-01 -2.6272720000e+00 -6.6421400000e-01 -1.6914650000e+00 -2.1275410000e+00  5.2367100000e-01  7.7672500000e-01  2.4668360000e+00  4.8344800000e-01  9.9044700000e-01  1.5346680000e+00  3.6829700000e-01  1.6102370000e+00  2.9110740000e+00
-ENERGY -1.526548425958e+02
-FORCES -4.3807000000e-03 -2.5670000000e-03  2.3540000000e-04  3.5936000000e-03 -1.3986000000e-03  9.0300000000e-04  7.8690000000e-04  3.7694000000e-03 -1.4163000000e-03 -5.0160000000e-04  4.1796000000e-03 -2.3957000000e-03 -3.6400000000e-05 -6.3550000000e-04  4.4217000000e-03  5.3820000000e-04 -3.3479000000e-03 -1.7482000000e-03
-
-JOB 70
-COORDS  1.2384420000e+00 -3.4581000000e-01 -2.3365960000e+00  2.0554200000e+00  1.5103200000e-01 -2.3804950000e+00  1.2130340000e+00 -6.8741000000e-01 -1.4427870000e+00 -1.2821910000e+00  3.4084500000e-01  2.2266900000e+00 -1.7936980000e+00  8.7333800000e-01  2.8358240000e+00 -8.0876400000e-01 -2.7526500000e-01  2.7857130000e+00
-ENERGY -1.526541852536e+02
-FORCES  2.6318000000e-03  9.7820000000e-04  3.9571000000e-03 -3.1470000000e-03 -2.0747000000e-03  5.0000000000e-05  7.0330000000e-04  9.4910000000e-04 -3.9394000000e-03 -7.3540000000e-04 -8.3200000000e-05  4.8988000000e-03  2.1834000000e-03 -2.2529000000e-03 -2.3990000000e-03 -1.6361000000e-03  2.4835000000e-03 -2.5676000000e-03
-
-JOB 71
-COORDS -2.3275800000e-01 -1.5184570000e+00 -2.6188860000e+00 -1.2273100000e-01 -1.1098050000e+00 -1.7603240000e+00 -8.8000000000e-01 -9.7138900000e-01 -3.0638880000e+00  2.2080700000e-01  1.4976920000e+00  2.6253970000e+00 -2.7380000000e-03  8.1538500000e-01  1.9923750000e+00  1.1778340000e+00  1.5146460000e+00  2.6320460000e+00
-ENERGY -1.526535852469e+02
-FORCES -2.3939000000e-03  3.8977000000e-03  1.2877000000e-03 -2.9570000000e-04 -1.6062000000e-03 -3.0545000000e-03  2.7446000000e-03 -2.2883000000e-03  1.9459000000e-03  3.1909000000e-03 -2.6838000000e-03 -2.0683000000e-03  8.2350000000e-04  2.7819000000e-03  2.0693000000e-03 -4.0694000000e-03 -1.0120000000e-04 -1.8010000000e-04
-
-JOB 72
-COORDS  8.4540700000e-01 -2.0552620000e+00 -2.0464380000e+00  4.2857100000e-01 -2.2143100000e+00 -2.8933040000e+00  1.3567740000e+00 -2.8467450000e+00 -1.8782380000e+00 -8.7836300000e-01  2.1701680000e+00  2.1047230000e+00 -1.3583500000e+00  1.3965700000e+00  1.8091040000e+00  4.2492000000e-02  1.9126930000e+00  2.0604040000e+00
-ENERGY -1.526546651901e+02
-FORCES  4.6380000000e-04 -3.9320000000e-03 -3.0849000000e-03  1.6969000000e-03  5.9810000000e-04  3.5275000000e-03 -2.1233000000e-03  3.2725000000e-03 -5.9450000000e-04  1.9507000000e-03 -4.4275000000e-03 -1.8218000000e-03  1.7035000000e-03  3.2600000000e-03  1.4781000000e-03 -3.6916000000e-03  1.2289000000e-03  4.9560000000e-04
-
-JOB 73
-COORDS -1.6713180000e+00  1.4082330000e+00 -2.1091460000e+00 -1.9341580000e+00  1.7827170000e+00 -2.9499250000e+00 -2.4170180000e+00  8.7072600000e-01 -1.8422190000e+00  1.7797610000e+00 -1.3759280000e+00  2.1164350000e+00  9.4104600000e-01 -9.4203900000e-01  2.2730570000e+00  1.6767920000e+00 -2.2446500000e+00  2.5049600000e+00
-ENERGY -1.526538734632e+02
-FORCES -3.9506000000e-03 -6.6230000000e-04 -2.5780000000e-03  1.0090000000e-03 -1.5301000000e-03  3.4658000000e-03  3.0300000000e-03  2.1848000000e-03 -9.0190000000e-04 -3.9104000000e-03 -1.4920000000e-03  1.9538000000e-03  3.4049000000e-03 -1.9914000000e-03 -3.7020000000e-04  4.1710000000e-04  3.4911000000e-03 -1.5695000000e-03
-
-JOB 74
-COORDS -2.0434210000e+00 -1.2409000000e-01  2.2500350000e+00 -2.9657680000e+00 -3.7239400000e-01  2.3121060000e+00 -1.6370870000e+00 -5.1494700000e-01  3.0235700000e+00  2.0939760000e+00  2.2155200000e-01 -2.2906790000e+00  2.3824720000e+00 -4.5576600000e-01 -2.9024320000e+00  1.3713090000e+00 -1.8161700000e-01 -1.8095980000e+00
-ENERGY -1.526544077026e+02
-FORCES -2.2267000000e-03 -2.3490000000e-03  3.6953000000e-03  3.8197000000e-03  9.3340000000e-04 -3.1210000000e-04 -1.6664000000e-03  1.4905000000e-03 -3.2729000000e-03 -2.0926000000e-03 -4.2579000000e-03 -2.4780000000e-04 -1.1029000000e-03  2.7150000000e-03  2.4325000000e-03  3.2689000000e-03  1.4680000000e-03 -2.2950000000e-03
-
-JOB 75
-COORDS -1.1946600000e-01 -8.0431200000e-01 -3.0343140000e+00  3.8150700000e-01 -1.5169900000e-01 -2.5450750000e+00  4.5055400000e-01 -1.0468340000e+00 -3.7640340000e+00  3.5950000000e-02  7.6083300000e-01  2.9968560000e+00  4.3265200000e-01  2.0802000000e-01  3.6701000000e+00  2.1708600000e-01  1.6558550000e+00  3.2838350000e+00
-ENERGY -1.526540794071e+02
-FORCES  4.2962000000e-03  1.7517000000e-03 -5.3570000000e-04 -1.9192000000e-03 -2.6461000000e-03 -2.4174000000e-03 -2.3118000000e-03  9.5530000000e-04  2.9081000000e-03  2.1379000000e-03  1.2497000000e-03  4.0940000000e-03 -1.5479000000e-03  2.3346000000e-03 -2.7647000000e-03 -6.5530000000e-04 -3.6453000000e-03 -1.2843000000e-03
-
-JOB 76
-COORDS -4.3372400000e-01 -2.1227190000e+00 -3.2078030000e+00 -2.3362600000e-01 -2.4736520000e+00 -2.3400250000e+00 -1.2906140000e+00 -1.7081520000e+00 -3.1072800000e+00  5.2301300000e-01  2.0872970000e+00  3.1213790000e+00 -2.7890600000e-01  1.6740360000e+00  3.4413380000e+00  4.1722600000e-01  3.0142210000e+00  3.3355100000e+00
-ENERGY -1.526540704530e+02
-FORCES -2.5155000000e-03  4.0800000000e-04  4.0683000000e-03 -9.2210000000e-04  1.3130000000e-03 -3.5955000000e-03  3.4051000000e-03 -1.7382000000e-03 -4.5340000000e-04 -3.5948000000e-03  2.2459000000e-03  2.2545000000e-03  3.2380000000e-03  1.5933000000e-03 -1.4031000000e-03  3.8940000000e-04 -3.8220000000e-03 -8.7080000000e-04
-
-JOB 77
-COORDS  6.7921000000e-02 -1.7877740000e+00 -3.6612030000e+00 -8.6820700000e-01 -1.6566870000e+00 -3.8119090000e+00  1.6981500000e-01 -1.7210010000e+00 -2.7117870000e+00 -7.8905000000e-02  1.7851110000e+00  3.6481860000e+00  1.4294400000e-01  1.9266810000e+00  2.7278750000e+00  7.3695200000e-01  1.4840520000e+00  4.0481510000e+00
-ENERGY -1.526540562100e+02
-FORCES -3.5160000000e-03  6.8300000000e-04  3.1894000000e-03  3.8689000000e-03 -4.9670000000e-04  6.3190000000e-04 -3.2360000000e-04 -1.6330000000e-04 -3.8290000000e-03  4.3222000000e-03 -4.8590000000e-04 -1.9728000000e-03 -9.8160000000e-04 -7.1850000000e-04  3.6740000000e-03 -3.3700000000e-03  1.1813000000e-03 -1.6934000000e-03
-
-JOB 78
-COORDS  1.3568830000e+00 -2.9867640000e+00  3.1425660000e+00  1.9941700000e+00 -3.6751300000e+00  2.9521730000e+00  9.4936000000e-01 -3.2578550000e+00  3.9651630000e+00 -1.3571140000e+00  2.9705340000e+00 -3.1909510000e+00 -1.7681350000e+00  3.3952120000e+00 -2.4379950000e+00 -1.1205090000e+00  3.6920140000e+00 -3.7738030000e+00
-ENERGY -1.526539675697e+02
-FORCES  9.2760000000e-04 -3.9282000000e-03  2.4783000000e-03 -2.5892000000e-03  2.8031000000e-03  8.2580000000e-04  1.6615000000e-03  1.1255000000e-03 -3.3302000000e-03 -6.5640000000e-04  4.6089000000e-03  8.2280000000e-04  1.6315000000e-03 -1.6732000000e-03 -3.1374000000e-03 -9.7500000000e-04 -2.9361000000e-03  2.3406000000e-03
-
-JOB 79
-COORDS -3.1823430000e+00  2.0648370000e+00  2.6102710000e+00 -3.5941700000e+00  1.4516680000e+00  3.2190860000e+00 -2.3626860000e+00  2.3133090000e+00  3.0376530000e+00  3.2197960000e+00 -2.0226820000e+00 -2.6738560000e+00  2.9506070000e+00 -2.9410740000e+00 -2.6557880000e+00  2.3980700000e+00 -1.5317890000e+00 -2.6784760000e+00
-ENERGY -1.526541776499e+02
-FORCES  1.6445000000e-03 -1.4028000000e-03  4.3036000000e-03  1.6887000000e-03  2.4677000000e-03 -2.5185000000e-03 -3.3493000000e-03 -1.0517000000e-03 -1.7774000000e-03 -4.5038000000e-03 -1.7044000000e-03  9.7000000000e-06  1.1219000000e-03  3.7224000000e-03 -5.2100000000e-05  3.3980000000e-03 -2.0312000000e-03  3.4600000000e-05
-
-JOB 80
-COORDS -9.7994700000e-01 -4.6235270000e+00  6.7603900000e-01 -5.6189200000e-01 -5.1686850000e+00  9.5070000000e-03 -3.9107900000e-01 -3.8758900000e+00  7.7853100000e-01  9.8926600000e-01  4.6117200000e+00 -6.5125400000e-01  4.6258600000e-01  4.5440080000e+00  1.4514800000e-01  3.4876500000e-01  4.7231310000e+00 -1.3538040000e+00
-ENERGY -1.526541702070e+02
-FORCES  4.1677000000e-03  8.0410000000e-04 -2.3042000000e-03 -1.7276000000e-03  2.2175000000e-03  2.7144000000e-03 -2.4519000000e-03 -3.0370000000e-03 -4.0580000000e-04 -4.7952000000e-03  2.7980000000e-04  3.8660000000e-04  2.1748000000e-03  2.2620000000e-04 -3.2537000000e-03  2.6322000000e-03 -4.9070000000e-04  2.8626000000e-03
-
-JOB 81
-COORDS -2.0587650000e+00 -1.5085460000e+00 -4.0589110000e+00 -2.4941490000e+00 -1.2699630000e+00 -3.2405290000e+00 -1.9605850000e+00 -6.8041600000e-01 -4.5287990000e+00  2.0925590000e+00  1.4138420000e+00  3.9902990000e+00  1.4816550000e+00  1.1741430000e+00  4.6871290000e+00  2.4370950000e+00  2.2664510000e+00  4.2559770000e+00
-ENERGY -1.526540785006e+02
-FORCES -1.2550000000e-03  4.3753000000e-03  1.5196000000e-03  1.6904000000e-03 -9.8670000000e-04 -3.3829000000e-03 -4.4720000000e-04 -3.3790000000e-03  1.8658000000e-03 -1.0094000000e-03  2.4582000000e-03  3.9719000000e-03  2.4576000000e-03  9.9870000000e-04 -2.8708000000e-03 -1.4365000000e-03 -3.4665000000e-03 -1.1035000000e-03
-
-JOB 82
-COORDS -2.8399960000e+00  3.9170200000e-01 -4.1163720000e+00 -3.7558320000e+00  1.5331700000e-01 -3.9726740000e+00 -2.4096510000e+00 -4.3330500000e-01 -4.3408670000e+00  2.8449730000e+00 -3.6373700000e-01  4.0580360000e+00  3.5410920000e+00  2.8395200000e-01  4.1682570000e+00  2.4658800000e+00 -4.5964800000e-01  4.9317180000e+00
-ENERGY -1.526540523716e+02
-FORCES -1.9055000000e-03 -4.3740000000e-03 -2.2920000000e-04  3.7028000000e-03  9.8940000000e-04 -6.1760000000e-04 -1.7955000000e-03  3.3717000000e-03  8.5040000000e-04  1.2715000000e-03  2.3191000000e-03  3.9740000000e-03 -2.8223000000e-03 -2.6687000000e-03 -4.2480000000e-04  1.5490000000e-03  3.6250000000e-04 -3.5527000000e-03
-
-JOB 83
-COORDS  3.5583140000e+00 -3.5980240000e+00 -1.3464890000e+00  3.9003430000e+00 -4.3781100000e+00 -9.0978100000e-01  4.2080410000e+00 -3.3954940000e+00 -2.0195930000e+00 -3.6396370000e+00  3.6253960000e+00  1.4220900000e+00 -3.2829250000e+00  2.9459550000e+00  8.4994600000e-01 -3.5889070000e+00  4.4276810000e+00  9.0247700000e-01
-ENERGY -1.526541447791e+02
-FORCES  4.0693000000e-03 -2.3951000000e-03 -9.2680000000e-04 -1.3945000000e-03  3.1878000000e-03 -1.7988000000e-03 -2.6669000000e-03 -8.0400000000e-04  2.7319000000e-03  1.7246000000e-03  4.2540000000e-04 -4.4587000000e-03 -1.5040000000e-03  2.8229000000e-03  2.3297000000e-03 -2.2850000000e-04 -3.2369000000e-03  2.1228000000e-03
-
-JOB 84
-COORDS  4.8850320000e+00  1.7563100000e+00 -1.3600170000e+00  5.0291740000e+00  1.3481630000e+00 -2.2137560000e+00  4.5855160000e+00  1.0406300000e+00 -7.9937100000e-01 -4.9308220000e+00 -1.6695790000e+00  1.4087030000e+00 -4.8877690000e+00 -2.1331620000e+00  5.7236000000e-01 -4.0284350000e+00 -1.6662000000e+00  1.7279500000e+00
-ENERGY -1.526539915811e+02
-FORCES -5.6960000000e-04 -4.5476000000e-03 -1.2089000000e-03 -6.1860000000e-04  1.6472000000e-03  3.4999000000e-03  1.1750000000e-03  2.9013000000e-03 -2.2876000000e-03  3.8245000000e-03 -1.8426000000e-03 -2.1008000000e-03 -1.5060000000e-04  1.8804000000e-03  3.4149000000e-03 -3.6608000000e-03 -3.8800000000e-05 -1.3175000000e-03
-
-JOB 85
-COORDS  1.0468860000e+00 -5.6606500000e+00  2.4641290000e+00  8.8835700000e-01 -6.4504320000e+00  2.9811830000e+00  1.9752250000e+00 -5.7059460000e+00  2.2352910000e+00 -1.0802060000e+00  5.7692180000e+00 -2.5119450000e+00 -1.4000790000e+00  4.9595440000e+00 -2.9098650000e+00 -9.9528300000e-01  5.5620140000e+00 -1.5813070000e+00
-ENERGY -1.526541487544e+02
-FORCES  3.1482000000e-03 -3.4412000000e-03  1.1886000000e-03  6.4460000000e-04  3.2294000000e-03 -2.1114000000e-03 -3.7922000000e-03  2.0320000000e-04  9.2660000000e-04 -9.6360000000e-04 -4.1844000000e-03  2.1907000000e-03  1.3040000000e-03  3.3206000000e-03  1.6026000000e-03 -3.4100000000e-04  8.7230000000e-04 -3.7971000000e-03
-
-JOB 86
-COORDS  5.7738700000e+00 -1.4849260000e+00 -4.1578310000e+00  5.6493740000e+00 -5.4064000000e-01 -4.0626620000e+00  5.5390060000e+00 -1.8453390000e+00 -3.3027440000e+00 -5.7290060000e+00  1.4019230000e+00  4.1352170000e+00 -6.2778650000e+00  1.5298270000e+00  3.3615070000e+00 -5.6738550000e+00  2.2692530000e+00  4.5363760000e+00
-ENERGY -1.526540954160e+02
-FORCES -1.4763000000e-03  2.3690000000e-03  3.8930000000e-03  5.1190000000e-04 -3.8429000000e-03 -3.9870000000e-04  9.6660000000e-04  1.4753000000e-03 -3.4962000000e-03 -2.0508000000e-03  4.0547000000e-03 -1.5057000000e-03  2.2561000000e-03 -5.1860000000e-04  3.1512000000e-03 -2.0750000000e-04 -3.5374000000e-03 -1.6436000000e-03
-
-JOB 87
-COORDS -7.0916610000e+00 -2.5858310000e+00  1.1426200000e-01 -6.8224890000e+00 -2.3789750000e+00 -7.8071800000e-01 -8.0275550000e+00 -2.7746440000e+00  4.5815000000e-02  7.1908180000e+00  2.5798860000e+00 -3.3731000000e-02  6.3793070000e+00  2.2281570000e+00  3.3228700000e-01  6.9209030000e+00  3.0130780000e+00 -8.4349700000e-01
-ENERGY -1.526540852884e+02
-FORCES -2.7451000000e-03  5.5000000000e-05 -3.9228000000e-03 -1.0801000000e-03 -8.3240000000e-04  3.6507000000e-03  3.8244000000e-03  7.7640000000e-04  2.7440000000e-04 -4.4221000000e-03  3.2480000000e-04 -1.7925000000e-03  3.3170000000e-03  1.4400000000e-03 -1.5040000000e-03  1.1059000000e-03 -1.7638000000e-03  3.2941000000e-03
-
-JOB 88
-COORDS  4.5861040000e+00 -6.5040850000e+00 -5.5430100000e-01  4.8139450000e+00 -6.4167120000e+00 -1.4798750000e+00  4.2829850000e+00 -7.4077220000e+00 -4.6603200000e-01 -4.6370440000e+00  6.5263170000e+00  5.8268400000e-01 -3.8663440000e+00  6.7859670000e+00  7.7872000000e-02 -4.4235930000e+00  6.7628880000e+00  1.4852940000e+00
-ENERGY -1.526540852631e+02
-FORCES -3.2140000000e-04 -3.3348000000e-03 -3.4175000000e-03 -9.2220000000e-04 -3.5250000000e-04  3.7763000000e-03  1.2431000000e-03  3.6859000000e-03 -3.5920000000e-04  4.0300000000e-03  2.0040000000e-03  1.6311000000e-03 -3.1507000000e-03 -1.0483000000e-03  2.0525000000e-03 -8.7870000000e-04 -9.5420000000e-04 -3.6832000000e-03
-
-JOB 89
-COORDS  1.7387640000e+00 -6.3761850000e+00 -6.3847300000e+00  1.5930850000e+00 -6.2382350000e+00 -7.3206670000e+00  2.4568880000e+00 -7.0077580000e+00 -6.3441560000e+00 -1.8255170000e+00  6.4210910000e+00  6.4099430000e+00 -1.1510430000e+00  6.9685090000e+00  6.8120000000e+00 -1.4719600000e+00  5.5327240000e+00  6.4550290000e+00
-ENERGY -1.526540764097e+02
-FORCES  2.3269000000e-03 -2.0124000000e-03 -3.6589000000e-03  5.9850000000e-04 -5.6430000000e-04  3.8195000000e-03 -2.9263000000e-03  2.5770000000e-03 -1.6130000000e-04  4.1943000000e-03 -1.4046000000e-03  1.8099000000e-03 -2.7521000000e-03 -2.2268000000e-03 -1.6351000000e-03 -1.4413000000e-03  3.6312000000e-03 -1.7400000000e-04
-
-JOB 0
-COORDS  7.6058700000e-01 -1.0947610000e+00  1.4922800000e-01  2.7703500000e-01 -2.7081000000e-01  2.0850200000e-01  1.0025600000e-01 -1.7717340000e+00  2.9722800000e-01 -6.4719800000e-01  1.0488550000e+00 -1.3054600000e-01 -7.2691700000e-01  2.0015990000e+00 -1.7698300000e-01 -1.4167010000e+00  7.2068500000e-01 -5.9573600000e-01
-ENERGY -1.526562032572e+02
-FORCES -9.3756000000e-03  1.5631500000e-02 -2.6310000000e-04 -2.8380000000e-04 -7.0456000000e-03 -3.8230000000e-04  1.4560000000e-04  3.4764000000e-03 -1.5006000000e-03  7.4756000000e-03 -8.8580000000e-03  1.1880000000e-04 -1.7836000000e-03 -5.0009000000e-03 -1.3763000000e-03  3.8218000000e-03  1.7966000000e-03  3.4035000000e-03
-
-JOB 1
-COORDS -1.4952700000e-01 -1.0798950000e+00 -7.1558000000e-01  5.2877700000e-01 -1.6489200000e+00 -3.5178700000e-01  3.1348400000e-01 -5.2623400000e-01 -1.3443200000e+00  2.7155000000e-02  1.1204340000e+00  7.5484000000e-01 -7.4610000000e-03  2.0803900000e-01  4.6749300000e-01  9.5277600000e-01  1.3564200000e+00  6.9346200000e-01
-ENERGY -1.526552954072e+02
-FORCES  2.8520000000e-03  6.2017000000e-03 -1.0472000000e-03 -3.3709000000e-03  7.1316000000e-03  5.4890000000e-04 -1.1140000000e-03 -2.3499000000e-03  6.5054000000e-03 -1.2209000000e-03 -1.5646700000e-02 -8.1035000000e-03  5.7447000000e-03  7.4503000000e-03  4.0219000000e-03 -2.8909000000e-03 -2.7869000000e-03 -1.9255000000e-03
-
-JOB 2
-COORDS -1.1874620000e+00  2.2108000000e-01  3.1886500000e-01 -1.9694100000e+00 -1.9880200000e-01  6.7731800000e-01 -1.2892090000e+00  1.1467310000e+00  5.4033600000e-01  1.2760890000e+00 -2.3200100000e-01 -3.9215400000e-01  4.2543100000e-01  1.4295100000e-01 -1.6406800000e-01  1.3588570000e+00 -1.0004100000e+00  1.7258500000e-01
-ENERGY -1.526551446321e+02
-FORCES  8.8871000000e-03 -4.6276000000e-03 -2.1081000000e-03  3.1436000000e-03  3.8405000000e-03 -9.0680000000e-04  2.5230000000e-03 -5.9060000000e-03 -1.7621000000e-03 -1.8677100000e-02 -1.2663000000e-03  7.1595000000e-03  3.3966000000e-03  6.8810000000e-03 -8.1160000000e-04  7.2660000000e-04  1.0784000000e-03 -1.5709000000e-03
-
-JOB 3
-COORDS -5.5750900000e-01 -7.1806900000e-01  8.6934700000e-01 -1.2739690000e+00 -8.2486200000e-01  1.4950560000e+00 -2.7599800000e-01 -1.6114180000e+00  6.7208600000e-01  5.7889900000e-01  7.9411900000e-01 -9.6708900000e-01  4.4911000000e-02  2.1898000000e-01 -4.1908900000e-01  1.2229520000e+00  1.1683430000e+00 -3.6593800000e-01
-ENERGY -1.526585301812e+02
-FORCES  1.2883000000e-03  4.5505000000e-03 -5.1681000000e-03  4.5590000000e-03 -1.5372000000e-03 -2.4395000000e-03 -2.1066000000e-03  5.5945000000e-03  6.9980000000e-04 -6.9778000000e-03 -7.0563000000e-03  1.4593400000e-02  4.3521000000e-03 -7.8390000000e-04 -5.9479000000e-03 -1.1150000000e-03 -7.6750000000e-04 -1.7377000000e-03
-
-JOB 4
-COORDS -3.5351000000e-02 -1.2027570000e+00 -5.8765100000e-01 -6.2184500000e-01 -1.5218400000e+00 -1.2735390000e+00  6.4048400000e-01 -7.1445100000e-01 -1.0577960000e+00  5.4095000000e-02  1.2510090000e+00  6.2095900000e-01 -2.1563700000e-01  1.1527080000e+00  1.5340930000e+00 -6.3416000000e-02  3.8036600000e-01  2.4095300000e-01
-ENERGY -1.526588772699e+02
-FORCES -7.6940000000e-04  2.8231000000e-03 -3.0396000000e-03  3.9717000000e-03  1.4297000000e-03  2.8471000000e-03 -7.0248000000e-03  9.0990000000e-04  6.0775000000e-03 -3.7263000000e-03 -1.2955600000e-02 -1.5686000000e-03  3.9140000000e-04 -1.0220000000e-04 -2.7439000000e-03  7.1575000000e-03  7.8952000000e-03 -1.5725000000e-03
-
-JOB 5
-COORDS -5.1236000000e-02 -1.2442030000e+00 -6.1889400000e-01  6.5301400000e-01 -1.4470710000e+00 -1.2346120000e+00 -4.6879000000e-02 -2.8911400000e-01 -5.5551000000e-01  3.2604000000e-02  1.1689360000e+00  5.9637700000e-01 -6.6915400000e-01  1.8103780000e+00  7.0736700000e-01  3.4919600000e-01  1.0035120000e+00  1.4844290000e+00
-ENERGY -1.526600083735e+02
-FORCES  1.1656000000e-03  1.1622700000e-02  3.8198000000e-03 -1.7121000000e-03  2.1543000000e-03  2.6052000000e-03 -2.1610000000e-04 -7.6469000000e-03 -5.9160000000e-03 -6.3620000000e-04 -5.8540000000e-03  2.9847000000e-03  3.2818000000e-03 -3.4518000000e-03  2.5000000000e-06 -1.8831000000e-03  3.1758000000e-03 -3.4962000000e-03
-
-JOB 6
-COORDS  1.0600000000e-03  9.1712700000e-01 -9.1046900000e-01  7.2878300000e-01  1.1633260000e+00 -1.4814660000e+00 -7.0305600000e-01  1.5217010000e+00 -1.1448670000e+00 -2.3970000000e-02 -9.6105200000e-01  1.0202680000e+00  3.4765400000e-01 -3.2461500000e-01  4.0946800000e-01 -1.4515000000e-02 -1.7887820000e+00  5.3963800000e-01
-ENERGY -1.526578662205e+02
-FORCES -4.4557000000e-03 -9.0990000000e-04  3.4915000000e-03 -3.5921000000e-03 -2.2662000000e-03  3.5740000000e-03  4.5611000000e-03 -1.9140000000e-03 -1.0662000000e-03 -6.2920000000e-04  7.8643000000e-03 -1.1663800000e-02  3.8913000000e-03 -5.3329000000e-03  4.6321000000e-03  2.2470000000e-04  2.5586000000e-03  1.0323000000e-03
-
-JOB 7
-COORDS -1.0311200000e+00  6.6709600000e-01  6.1306200000e-01 -3.5703300000e-01  1.3399850000e+00  5.1788700000e-01 -8.9745100000e-01  3.1634600000e-01  1.4935950000e+00  1.0052280000e+00 -6.9265000000e-01 -7.2161000000e-01  1.6100900000e-01 -3.1422800000e-01 -4.7600400000e-01  1.4110000000e+00 -9.3473400000e-01  1.1084200000e-01
-ENERGY -1.526576598877e+02
-FORCES  4.7831000000e-03  8.1050000000e-04  3.4906000000e-03 -2.4380000000e-03 -6.9775000000e-03 -9.5390000000e-04  9.0830000000e-04  1.2325000000e-03 -5.2437000000e-03 -1.0955100000e-02  3.2194000000e-03  8.1958000000e-03  8.9550000000e-03  3.8900000000e-05 -3.6704000000e-03 -1.2534000000e-03  1.6763000000e-03 -1.8184000000e-03
-
-JOB 8
-COORDS  1.2575660000e+00  2.5572800000e-01  3.1210800000e-01  2.0344020000e+00 -1.6417400000e-01  6.8148700000e-01  1.5971140000e+00  8.1967800000e-01 -3.8280100000e-01 -1.3864790000e+00 -2.4644400000e-01 -2.5245600000e-01 -4.6116500000e-01 -1.8625100000e-01 -1.4962000000e-02 -1.3849130000e+00 -6.3454100000e-01 -1.1274470000e+00
-ENERGY -1.526605016987e+02
-FORCES -8.8030000000e-04 -4.2660000000e-04 -1.1009000000e-03 -2.7101000000e-03  3.1360000000e-03 -2.8289000000e-03 -1.0776000000e-03 -3.9870000000e-03  3.3150000000e-03  1.2576900000e-02  8.8500000000e-05  1.7131000000e-03 -8.8559000000e-03 -4.5620000000e-04 -3.3788000000e-03  9.4700000000e-04  1.6453000000e-03  2.2803000000e-03
-
-JOB 9
-COORDS  5.3841000000e-01 -1.1103970000e+00 -5.1885600000e-01  5.0573500000e-01 -1.7808270000e+00  1.6355800000e-01  2.4769900000e-01 -1.5607810000e+00 -1.3118720000e+00 -4.8944400000e-01  1.2312280000e+00  5.3802300000e-01 -1.3505060000e+00  9.3340200000e-01  8.3145700000e-01 -1.4879500000e-01  5.0419200000e-01  1.6862000000e-02
-ENERGY -1.526604244930e+02
-FORCES -1.6881000000e-03 -9.1760000000e-04  2.2391000000e-03 -7.4300000000e-04  2.7042000000e-03 -4.4351000000e-03  8.6680000000e-04  1.7895000000e-03  4.8180000000e-03  2.8121000000e-03 -1.2098800000e-02 -5.4296000000e-03  2.5536000000e-03  1.6410000000e-04 -6.5970000000e-04 -3.8014000000e-03  8.3586000000e-03  3.4674000000e-03
-
-JOB 10
-COORDS  2.7218200000e-01  1.5076400000e-01 -1.3779950000e+00  1.1398780000e+00  4.5677700000e-01 -1.6419860000e+00  3.8547800000e-01 -1.4071600000e-01 -4.7332000000e-01 -2.6440300000e-01 -1.6404600000e-01  1.3138960000e+00 -8.4714500000e-01 -8.0683500000e-01  1.7182060000e+00 -6.8093700000e-01  6.8011600000e-01  1.4874520000e+00
-ENERGY -1.526609576338e+02
-FORCES  6.6600000000e-05 -2.3845000000e-03  1.0356000000e-02 -2.7735000000e-03 -7.8880000000e-04  2.5741000000e-03  3.1926000000e-03  1.9763000000e-03 -9.6057000000e-03 -4.4320000000e-03  1.9780000000e-03 -2.5392000000e-03  2.0928000000e-03  3.7888000000e-03 -1.3365000000e-03  1.8535000000e-03 -4.5698000000e-03  5.5130000000e-04
-
-JOB 11
-COORDS -2.5836400000e-01 -8.6879400000e-01 -1.0400550000e+00 -3.8411100000e-01 -3.3625200000e-01 -1.8254320000e+00  6.5962100000e-01 -1.1374780000e+00 -1.0767300000e+00  2.5604300000e-01  8.5646600000e-01  1.1421020000e+00  1.2215700000e-01  1.5544800000e-01  5.0422900000e-01 -3.8246300000e-01  1.5269950000e+00  8.9934100000e-01
-ENERGY -1.526593344233e+02
-FORCES  2.6411000000e-03  2.7467000000e-03 -3.6360000000e-03  8.2270000000e-04 -2.6082000000e-03  4.1975000000e-03 -5.3901000000e-03  3.6902000000e-03  2.7363000000e-03 -6.7256000000e-03 -6.2878000000e-03 -1.0451700000e-02  6.5416000000e-03  3.6920000000e-03  6.6388000000e-03  2.1104000000e-03 -1.2328000000e-03  5.1520000000e-04
-
-JOB 12
-COORDS  1.6806000000e-01  1.2636550000e+00 -7.3347200000e-01 -2.1013200000e-01  8.8470300000e-01  6.0000000000e-02  6.5724000000e-01  5.4455300000e-01 -1.1332570000e+00 -1.8404000000e-01 -1.1744000000e+00  6.4966300000e-01  4.5990000000e-01 -1.8434850000e+00  8.8182400000e-01 -6.1651700000e-01 -9.6044900000e-01  1.4763560000e+00
-ENERGY -1.526560666507e+02
-FORCES -7.7000000000e-06 -1.3762300000e-02  4.4981000000e-03 -2.2615000000e-03  5.5613000000e-03  1.6188000000e-03  9.0440000000e-04  3.7797000000e-03 -1.8478000000e-03  1.7921000000e-03 -2.6930000000e-04  2.3017000000e-03 -3.1608000000e-03  3.1758000000e-03 -1.4597000000e-03  2.7335000000e-03  1.5147000000e-03 -5.1110000000e-03
-
-JOB 13
-COORDS -2.3098100000e-01 -2.7864000000e-01 -1.3117000000e+00 -1.0157490000e+00  1.8103200000e-01 -1.6101510000e+00  4.5785100000e-01  8.4130000000e-03 -1.9111530000e+00  2.9571100000e-01  2.2240800000e-01  1.3930180000e+00  6.1458000000e-02 -6.0387000000e-02  5.0905800000e-01 -4.7786600000e-01  6.8968200000e-01  1.7084010000e+00
-ENERGY -1.526605845175e+02
-FORCES  1.6901000000e-03  4.0570000000e-03 -7.4050000000e-04  4.2110000000e-03 -1.7265000000e-03  2.0592000000e-03 -4.4700000000e-03 -1.1918000000e-03  2.1471000000e-03 -4.2987000000e-03 -1.8522000000e-03 -1.1820900000e-02  1.0952000000e-03  1.9889000000e-03  1.0323400000e-02  1.7725000000e-03 -1.2754000000e-03 -1.9682000000e-03
-
-JOB 14
-COORDS  8.3187000000e-02 -7.1579000000e-02  1.3584460000e+00  3.1025600000e-01 -1.0005080000e+00  1.4004250000e+00  4.4061800000e-01  2.9953700000e-01  2.1651360000e+00 -1.3803800000e-01  1.6506500000e-01 -1.4289010000e+00  3.9150000000e-03 -1.0169400000e-01 -5.2065000000e-01  7.2205000000e-02 -6.1414900000e-01 -1.9435420000e+00
-ENERGY -1.526574218136e+02
-FORCES  2.2899000000e-03  2.0069000000e-03  2.0080000000e-03 -8.4180000000e-04  5.5058000000e-03 -3.8854000000e-03 -1.9789000000e-03 -3.4508000000e-03 -2.6186000000e-03  1.1822000000e-03 -5.0170000000e-04  8.8943000000e-03 -2.8510000000e-04 -5.3756000000e-03 -8.1459000000e-03 -3.6630000000e-04  1.8155000000e-03  3.7477000000e-03
-
-JOB 15
-COORDS -3.7675000000e-01 -2.2550200000e-01 -1.3997860000e+00 -4.8422000000e-02 -5.2218000000e-02 -5.1751300000e-01 -1.3294750000e+00 -2.0511000000e-01 -1.3096130000e+00  3.9008100000e-01  2.2044100000e-01  1.2870610000e+00  6.6242100000e-01 -5.8142000000e-01  1.7332470000e+00  5.8240700000e-01  9.1979900000e-01  1.9116740000e+00
-ENERGY -1.526613937395e+02
-FORCES  2.0540000000e-04  3.0596000000e-03  1.0907800000e-02 -1.8685000000e-03 -3.6374000000e-03 -8.1975000000e-03  2.5690000000e-03 -1.6880000000e-04 -3.5650000000e-04  1.1345000000e-03  6.9180000000e-04  7.0470000000e-04 -1.3447000000e-03  4.5832000000e-03 -1.7421000000e-03 -6.9570000000e-04 -4.5284000000e-03 -1.3165000000e-03
-
-JOB 16
-COORDS -1.0292230000e+00 -1.0388460000e+00  2.1100300000e-01 -6.7087000000e-01 -1.5142000000e-01  2.2799600000e-01 -1.5986160000e+00 -1.0530450000e+00 -5.5829700000e-01  1.0135800000e+00  9.8858100000e-01 -2.2928600000e-01  9.9918800000e-01  1.7094140000e+00  4.0033700000e-01  1.5042890000e+00  2.9483100000e-01  2.1133400000e-01
-ENERGY -1.526598334734e+02
-FORCES  3.2845000000e-03  7.9670000000e-03 -5.3547000000e-03 -4.6031000000e-03 -6.4658000000e-03  4.4406000000e-03  1.6167000000e-03  7.2100000000e-05  2.6490000000e-03  5.5629000000e-03 -1.3364000000e-03  2.2649000000e-03 -1.8369000000e-03 -4.8389000000e-03 -2.5814000000e-03 -4.0241000000e-03  4.6019000000e-03 -1.4184000000e-03
-
-JOB 17
-COORDS -4.5940700000e-01  8.1846000000e-01  1.0307390000e+00 -6.8233500000e-01  1.7404950000e+00  1.1587460000e+00 -6.8190300000e-01  4.0006400000e-01  1.8624070000e+00  4.6932500000e-01 -8.9602000000e-01 -1.1265080000e+00  1.3207540000e+00 -6.1116700000e-01 -7.9460600000e-01 -1.6130800000e-01 -3.1823600000e-01 -6.9674200000e-01
-ENERGY -1.526604721470e+02
-FORCES -1.2499000000e-03  5.2070000000e-04  3.5258000000e-03  1.1686000000e-03 -4.5672000000e-03 -4.6500000000e-05  9.7930000000e-04  3.0505000000e-03 -3.5688000000e-03 -7.6960000000e-04  7.6696000000e-03  8.3746000000e-03 -1.1390000000e-03 -2.0290000000e-03 -2.1293000000e-03  1.0107000000e-03 -4.6447000000e-03 -6.1558000000e-03
-
-JOB 18
-COORDS  9.1853000000e-02 -2.1318400000e-01  1.4090690000e+00  1.0454860000e+00 -2.6494700000e-01  1.3447630000e+00 -6.8313000000e-02  2.5840400000e-01  2.2264940000e+00 -1.7589500000e-01  2.4329200000e-01 -1.4698450000e+00  1.6368200000e-01 -4.7956800000e-01 -1.9974740000e+00  1.5843800000e-01  7.5081000000e-02 -5.8884600000e-01
-ENERGY -1.526573169266e+02
-FORCES  1.3430000000e-04  3.0909000000e-03  4.8699000000e-03 -5.9616000000e-03  9.9250000000e-04 -3.8732000000e-03  1.7096000000e-03 -3.1185000000e-03 -3.0103000000e-03 -3.2630000000e-04 -3.3937000000e-03  7.1404000000e-03 -5.0440000000e-04  2.3676000000e-03  2.8713000000e-03  4.9483000000e-03  6.1200000000e-05 -7.9981000000e-03
-
-JOB 19
-COORDS  1.8721200000e-01 -8.7233600000e-01 -1.1225740000e+00 -3.5515900000e-01 -1.3591990000e+00 -1.7430820000e+00  4.3356300000e-01 -7.5766000000e-02 -1.5927010000e+00 -1.5459400000e-01  9.2721200000e-01  1.2093110000e+00 -1.8708100000e-01  6.0255500000e-01  3.0943700000e-01 -3.4773100000e-01  1.6013100000e-01  1.7483070000e+00
-ENERGY -1.526577337853e+02
-FORCES -4.3860000000e-04 -7.1360000000e-04 -5.1465000000e-03  3.0956000000e-03  2.3737000000e-03  2.8418000000e-03 -3.7108000000e-03 -2.4963000000e-03  5.8327000000e-03 -4.5410000000e-04 -1.0257200000e-02 -4.4758000000e-03  1.4195000000e-03  7.6980000000e-03  8.2700000000e-04  8.8400000000e-05  3.3954000000e-03  1.2090000000e-04
-
-JOB 20
-COORDS -7.2140400000e-01 -1.1841410000e+00  3.4411400000e-01 -3.1814500000e-01 -1.7633410000e+00 -3.0252500000e-01 -1.5022920000e+00 -1.6554290000e+00  6.3451600000e-01  7.8802200000e-01  1.2102470000e+00 -3.5599800000e-01  4.6475200000e-01  2.1096390000e+00 -4.0912300000e-01  2.0361100000e-01  7.8171600000e-01  2.6934700000e-01
-ENERGY -1.526599534879e+02
-FORCES  5.8500000000e-05 -3.8553000000e-03 -3.3641000000e-03 -3.0267000000e-03  1.0809000000e-03  3.7379000000e-03  3.3128000000e-03  1.7518000000e-03 -1.8515000000e-03 -5.7809000000e-03 -2.5964000000e-03  3.0859000000e-03  4.3330000000e-04 -3.3844000000e-03  5.4040000000e-04  5.0030000000e-03  7.0034000000e-03 -2.1485000000e-03
-
-JOB 21
-COORDS -3.5577200000e-01 -3.6145300000e-01 -1.3995270000e+00 -1.2093130000e+00 -4.2319000000e-01 -1.8283480000e+00 -5.5578800000e-01 -3.7631100000e-01 -4.6357600000e-01  4.4725900000e-01  3.4811100000e-01  1.3080740000e+00  3.1464100000e-01 -1.5355400000e-01  2.1124230000e+00  3.7008000000e-02  1.1950490000e+00  1.4830690000e+00
-ENERGY -1.526582238041e+02
-FORCES -2.3420000000e-04  4.0750000000e-04  6.6567000000e-03  2.9569000000e-03  7.8380000000e-04  2.9558000000e-03 -4.4530000000e-03 -1.9208000000e-03 -8.3885000000e-03  1.1181000000e-03  3.5734000000e-03  4.3526000000e-03 -3.3290000000e-04  2.2022000000e-03 -4.7305000000e-03  9.4500000000e-04 -5.0461000000e-03 -8.4610000000e-04
-
-JOB 22
-COORDS -1.3981750000e+00 -5.7397900000e-01  1.8041800000e-01 -1.8481650000e+00  1.9955900000e-01  5.2009400000e-01 -5.7757500000e-01 -2.3606700000e-01 -1.7827900000e-01  1.4181240000e+00  5.0199600000e-01 -2.3855400000e-01  1.0040040000e+00 -6.5209000000e-02  4.1184100000e-01  1.2318440000e+00  1.3906080000e+00  6.4595000000e-02
-ENERGY -1.526543366195e+02
-FORCES  2.0105000000e-03  6.0310000000e-03 -3.9538000000e-03  2.7269000000e-03 -2.9221000000e-03 -9.5460000000e-04  2.8390000000e-04 -3.6945000000e-03  9.5907000000e-03  9.8740000000e-04  2.1344000000e-03  6.2969000000e-03 -5.4978000000e-03  3.3151000000e-03 -8.9734000000e-03 -5.1080000000e-04 -4.8639000000e-03 -2.0059000000e-03
-
-JOB 23
-COORDS -2.8697300000e-01  4.5460400000e-01 -1.4449480000e+00 -2.0518200000e-01 -2.3264900000e-01 -7.8371700000e-01  2.5953600000e-01  1.1689710000e+00 -1.1174750000e+00  2.2527400000e-01 -4.0393600000e-01  1.3847160000e+00 -1.2355500000e-01 -1.2728730000e+00  1.5834590000e+00  1.1749690000e+00 -5.2313700000e-01  1.3745920000e+00
-ENERGY -1.526579791681e+02
-FORCES  2.2719000000e-03 -3.7500000000e-05  1.1192200000e-02 -5.5650000000e-04 -8.7180000000e-04 -7.6661000000e-03 -6.9890000000e-04 -1.4460000000e-03 -2.8544000000e-03  2.2441000000e-03 -2.9278000000e-03  3.7616000000e-03  1.9077000000e-03  4.3498000000e-03 -2.8479000000e-03 -5.1683000000e-03  9.3330000000e-04 -1.5854000000e-03
-
-JOB 24
-COORDS  1.1657000000e-02  1.2737750000e+00  6.1995000000e-01  2.0835400000e-01  1.7140330000e+00  1.4468210000e+00 -2.5575300000e-01  1.9788260000e+00  3.0352000000e-02  2.3654000000e-02 -1.4134350000e+00 -6.2691500000e-01  2.8098200000e-01 -5.7048000000e-01 -2.5349800000e-01 -7.4307000000e-01 -1.2139270000e+00 -1.1640960000e+00
-ENERGY -1.526601945543e+02
-FORCES -2.6960000000e-04  3.5386000000e-03  2.1506000000e-03 -1.3825000000e-03 -7.2090000000e-04 -4.2631000000e-03  1.0325000000e-03 -3.5320000000e-03  2.8582000000e-03 -2.3442000000e-03  8.8555000000e-03  3.2491000000e-03  6.1340000000e-04 -7.4342000000e-03 -4.8906000000e-03  2.3503000000e-03 -7.0710000000e-04  8.9570000000e-04
-
-JOB 25
-COORDS -1.1486400000e-01  3.2371000000e-02  1.5344250000e+00 -1.6504300000e-01  6.8516000000e-02  5.7922500000e-01  6.0576100000e-01 -5.7145800000e-01  1.7142100000e+00  5.7943000000e-02 -4.7510000000e-03 -1.4295470000e+00  6.1066800000e-01  6.6118400000e-01 -1.8385170000e+00 -1.9207900000e-01 -5.8418000000e-01 -2.1492570000e+00
-ENERGY -1.526615083734e+02
-FORCES  2.2816000000e-03 -2.6038000000e-03 -8.7778000000e-03 -1.7160000000e-04  1.3934000000e-03  9.2461000000e-03 -2.0146000000e-03  1.8119000000e-03 -2.3800000000e-05  3.6080000000e-04 -1.4570000000e-04 -3.9824000000e-03 -2.6092000000e-03 -3.7584000000e-03  1.3027000000e-03  2.1531000000e-03  3.3026000000e-03  2.2351000000e-03
-
-JOB 26
-COORDS -7.1409500000e-01  1.2256500000e+00  5.7909500000e-01 -6.1865000000e-02  1.8109360000e+00  9.6415100000e-01 -2.0117900000e-01  5.1601900000e-01  1.9234900000e-01  6.1932300000e-01 -1.1641340000e+00 -6.0582600000e-01  1.0711660000e+00 -1.2510830000e+00  2.3352500000e-01  6.9316000000e-01 -2.0291980000e+00 -1.0088690000e+00
-ENERGY -1.526583621019e+02
-FORCES  3.9771000000e-03 -3.3243000000e-03 -4.1492000000e-03 -1.6335000000e-03 -3.1759000000e-03 -1.1513000000e-03 -2.2200000000e-04  5.6636000000e-03  7.3295000000e-03  2.8040000000e-04 -5.6828000000e-03 -6.0650000000e-04 -3.4501000000e-03  3.2664000000e-03 -4.0854000000e-03  1.0481000000e-03  3.2530000000e-03  2.6629000000e-03
-
-JOB 27
-COORDS -1.1019910000e+00  9.3421500000e-01 -1.0735300000e-01 -1.7373480000e+00  1.3680210000e+00  4.6217900000e-01 -1.1525370000e+00  1.4151580000e+00 -9.3341000000e-01  1.1960410000e+00 -9.9562300000e-01  8.7575000000e-02  7.6723400000e-01 -1.4137800000e-01  1.3876900000e-01  6.2167400000e-01 -1.5823380000e+00  5.7961100000e-01
-ENERGY -1.526600438896e+02
-FORCES -3.4473000000e-03  3.1655000000e-03 -1.6242000000e-03  2.5088000000e-03 -2.0598000000e-03 -3.1326000000e-03  1.8650000000e-04 -1.7117000000e-03  4.4840000000e-03 -9.0532000000e-03  3.9755000000e-03  1.6792000000e-03  7.0538000000e-03 -4.0167000000e-03 -4.3330000000e-04  2.7513000000e-03  6.4720000000e-04 -9.7320000000e-04
-
-JOB 28
-COORDS -5.9728300000e-01 -8.9917300000e-01 -1.0999030000e+00 -1.8880400000e-01 -1.1068300000e-01 -7.4260800000e-01  8.1139000000e-02 -1.2936110000e+00 -1.6479850000e+00  5.0102500000e-01  8.3961400000e-01  1.0664280000e+00  1.0397110000e+00  5.7629800000e-01  1.8125610000e+00  4.8115800000e-01  1.7956030000e+00  1.1102720000e+00
-ENERGY -1.526591648522e+02
-FORCES  5.4251000000e-03  4.0262000000e-03  3.9830000000e-03 -3.4554000000e-03 -3.4412000000e-03 -7.6034000000e-03 -2.0212000000e-03  1.3056000000e-03  2.1421000000e-03  1.8939000000e-03  2.2670000000e-04  5.1225000000e-03 -2.0540000000e-03  2.6150000000e-03 -2.8337000000e-03  2.1170000000e-04 -4.7323000000e-03 -8.1050000000e-04
-
-JOB 29
-COORDS -1.1156580000e+00 -9.3158600000e-01  2.3641900000e-01 -1.0900810000e+00 -1.5115650000e+00  9.9747200000e-01 -1.5591520000e+00 -1.4430570000e+00 -4.4029500000e-01  1.1673760000e+00  1.0292640000e+00 -2.8465000000e-01  3.5278600000e-01  5.3841600000e-01 -3.9302000000e-01  1.4752000000e+00  7.9321000000e-01  5.9042400000e-01
-ENERGY -1.526600109170e+02
-FORCES -1.4910000000e-03 -4.9051000000e-03  1.3342000000e-03 -4.7350000000e-04  2.1988000000e-03 -3.6335000000e-03  2.2182000000e-03  2.3051000000e-03  3.3524000000e-03 -6.0889000000e-03 -6.3759000000e-03  4.3578000000e-03  5.6227000000e-03  5.5273000000e-03 -3.1150000000e-03  2.1230000000e-04  1.2499000000e-03 -2.2959000000e-03
-
-JOB 30
-COORDS -3.0497600000e-01 -5.4688000000e-02 -1.5502050000e+00 -7.7658400000e-01  7.1429800000e-01 -1.2300850000e+00 -4.3008300000e-01 -7.1420100000e-01 -8.6783900000e-01  2.7310000000e-01  3.6161000000e-02  1.4710760000e+00  9.3244300000e-01  7.2407800000e-01  1.3801480000e+00  5.9272800000e-01 -5.0910100000e-01  2.1899350000e+00
-ENERGY -1.526579218500e+02
-FORCES -1.9101000000e-03  7.1900000000e-05  9.0808000000e-03  1.8660000000e-03 -1.4221000000e-03 -2.6939000000e-03 -6.8820000000e-04  1.3360000000e-04 -6.1199000000e-03  5.2507000000e-03  1.7354000000e-03  1.7388000000e-03 -3.3317000000e-03 -2.5926000000e-03  1.6257000000e-03 -1.1868000000e-03  2.0737000000e-03 -3.6316000000e-03
-
-JOB 31
-COORDS  3.2613100000e-01  1.2690450000e+00 -9.0051800000e-01 -1.8189200000e-01  4.7209900000e-01 -7.4879100000e-01  3.9982800000e-01  1.6747700000e+00 -3.6696000000e-02 -3.0219600000e-01 -1.2024400000e+00  7.9101700000e-01  1.3663800000e-01 -2.0524540000e+00  8.2469300000e-01 -7.3738500000e-01 -1.1232330000e+00  1.6398790000e+00
-ENERGY -1.526591013999e+02
-FORCES -1.7230000000e-03 -6.1960000000e-03  7.1958000000e-03  7.6550000000e-04  5.9941000000e-03 -4.5885000000e-03 -1.8910000000e-04  4.7160000000e-04 -2.8952000000e-03  1.2118000000e-03 -3.7162000000e-03  3.2888000000e-03 -2.4712000000e-03  3.5587000000e-03  6.9810000000e-04  2.4062000000e-03 -1.1220000000e-04 -3.6990000000e-03
-
-JOB 32
-COORDS  8.7562000000e-02  1.3167310000e+00 -6.9046600000e-01 -4.0502900000e-01  1.1533620000e+00 -1.4947650000e+00  1.3039800000e-01  2.2707200000e+00 -6.2486500000e-01 -1.7896000000e-02 -1.3982250000e+00  7.6517900000e-01 -9.5896500000e-01 -1.5504090000e+00  6.7880200000e-01  1.4510500000e-01 -6.0609500000e-01  2.5313200000e-01
-ENERGY -1.526598721082e+02
-FORCES -7.4010000000e-04  5.5172000000e-03 -1.7347000000e-03  1.9381000000e-03  2.6500000000e-05  4.5811000000e-03 -8.7430000000e-04 -3.8998000000e-03 -1.7979000000e-03 -2.1300000000e-03  7.0858000000e-03 -2.7211000000e-03  2.9333000000e-03  1.6310000000e-04 -1.6930000000e-04 -1.1271000000e-03 -8.8928000000e-03  1.8419000000e-03
-
-JOB 33
-COORDS -7.2780100000e-01  1.3551420000e+00 -4.8470800000e-01 -8.7587800000e-01  5.8646100000e-01  6.6141000000e-02  6.3219000000e-02  1.1457030000e+00 -9.8135200000e-01  6.5325500000e-01 -1.3161800000e+00  5.3829600000e-01  7.2734500000e-01 -1.8399860000e+00 -2.5943200000e-01  1.1758470000e+00 -5.3402200000e-01  3.6121300000e-01
-ENERGY -1.526559011400e+02
-FORCES  1.5266000000e-03 -6.8601000000e-03  9.9760000000e-04  2.3870000000e-04  6.3165000000e-03 -2.8659000000e-03 -1.0795000000e-03  4.6170000000e-04  2.5903000000e-03  4.5263000000e-03 -8.7320000000e-04 -3.1829000000e-03 -5.2340000000e-04  3.4764000000e-03  3.4513000000e-03 -4.6887000000e-03 -2.5214000000e-03 -9.9050000000e-04
-
-JOB 34
-COORDS -1.4802620000e+00  5.9179900000e-01  1.5220000000e-01 -5.2927000000e-01  6.5945500000e-01  6.6950000000e-02 -1.7467450000e+00  2.7586000000e-02 -5.7366700000e-01  1.4508280000e+00 -5.0450200000e-01 -8.4776000000e-02  1.9406770000e+00 -9.0640200000e-01 -8.0224200000e-01  8.4796500000e-01 -1.1883990000e+00  2.0689300000e-01
-ENERGY -1.526589913176e+02
-FORCES  5.7114000000e-03 -4.6490000000e-04 -4.4701000000e-03 -7.8890000000e-03 -6.0480000000e-04  2.0953000000e-03  8.1110000000e-04  9.8530000000e-04  3.1463000000e-03  1.9742000000e-03 -5.7311000000e-03 -1.2350000000e-03 -2.7147000000e-03  1.1490000000e-03  3.3938000000e-03  2.1070000000e-03  4.6665000000e-03 -2.9304000000e-03
-
-JOB 35
-COORDS  1.1948800000e-01 -1.4670100000e-01 -1.4966180000e+00  8.1152000000e-02 -9.0780700000e-01 -2.0758240000e+00  7.9782100000e-01  4.1090400000e-01 -1.8776330000e+00 -1.4268900000e-01  2.0970800000e-01  1.5916700000e+00 -8.7126000000e-02  2.1579100000e-01  6.3610400000e-01 -3.5824200000e-01 -6.9607500000e-01  1.8137670000e+00
-ENERGY -1.526607300461e+02
-FORCES  2.4056000000e-03 -1.7765000000e-03 -5.0297000000e-03  7.0580000000e-04  3.7321000000e-03  1.8608000000e-03 -3.2504000000e-03 -2.9489000000e-03  1.7720000000e-03 -5.9000000000e-04 -4.2682000000e-03 -7.3876000000e-03  1.2820000000e-04  2.5614000000e-03  8.8487000000e-03  6.0080000000e-04  2.7001000000e-03 -6.4100000000e-05
-
-JOB 36
-COORDS  1.2823320000e+00 -6.3750400000e-01  8.2079800000e-01  1.1169890000e+00  2.9293900000e-01  6.6858000000e-01  6.7221600000e-01 -1.0883120000e+00  2.3705000000e-01 -1.2615080000e+00  5.9341600000e-01 -8.4223800000e-01 -8.5769000000e-01 -3.4348000000e-02 -2.4300900000e-01 -1.2531270000e+00  1.4220490000e+00 -3.6314700000e-01
-ENERGY -1.526510177886e+02
-FORCES -2.3750000000e-04  1.9653000000e-03 -5.0945000000e-03 -1.8292000000e-03 -4.5119000000e-03  1.7811000000e-03 -2.1566000000e-03  4.7326000000e-03  3.6173000000e-03  5.9200000000e-05  1.5295000000e-03  5.5237000000e-03  3.0715000000e-03  1.4470000000e-04 -3.4149000000e-03  1.0926000000e-03 -3.8601000000e-03 -2.4127000000e-03
-
-JOB 37
-COORDS  1.4513400000e-01 -1.2659880000e+00 -9.3770400000e-01  3.8777000000e-02 -2.0334490000e+00 -1.4997750000e+00  1.7538500000e-01 -1.6214000000e+00 -4.9447000000e-02 -1.0982000000e-01  1.3529790000e+00  8.6003600000e-01 -8.3751100000e-01  7.3599700000e-01  9.3768600000e-01  9.4157000000e-02  1.5983020000e+00  1.7625010000e+00
-ENERGY -1.526530582116e+02
-FORCES  1.3970000000e-03 -4.3898000000e-03  1.3139000000e-03  5.8370000000e-04  3.7266000000e-03  2.4790000000e-03 -1.8727000000e-03  1.3083000000e-03 -3.5099000000e-03 -2.9688000000e-03 -1.3049000000e-03  2.0002000000e-03  3.3476000000e-03  2.3538000000e-03  1.7188000000e-03 -4.8690000000e-04 -1.6941000000e-03 -4.0020000000e-03
-
-JOB 38
-COORDS  1.4967600000e-01  4.2816500000e-01 -1.6767500000e+00 -1.2698400000e-01 -4.5264400000e-01 -1.9294680000e+00  1.6786300000e-01  4.0872500000e-01 -7.1992000000e-01 -1.6239300000e-01 -3.2957700000e-01  1.5990160000e+00 -3.8419300000e-01 -1.2544580000e+00  1.7068690000e+00  5.9007500000e-01 -1.9448800000e-01  2.1750150000e+00
-ENERGY -1.526593599246e+02
-FORCES -1.7982000000e-03 -3.7746000000e-03  5.9260000000e-03  1.0039000000e-03  2.7541000000e-03  2.7570000000e-04  1.4392000000e-03  1.6828000000e-03 -8.2274000000e-03  1.5427000000e-03 -3.9461000000e-03  5.6638000000e-03  1.2997000000e-03  4.1498000000e-03 -7.5750000000e-04 -3.4872000000e-03 -8.6600000000e-04 -2.8806000000e-03
-
-JOB 39
-COORDS -6.4945100000e-01  1.2671750000e+00 -1.0286920000e+00 -2.2894200000e-01  1.4583850000e+00 -1.9033400000e-01 -3.4852000000e-02  6.8759200000e-01 -1.4787840000e+00  5.5241400000e-01 -1.2487170000e+00  1.0624100000e+00  8.7224900000e-01 -2.0240550000e+00  6.0112100000e-01  9.5977900000e-01 -5.1269400000e-01  6.0573100000e-01
-ENERGY -1.526515621923e+02
-FORCES  2.3792000000e-03 -2.1907000000e-03  2.1825000000e-03  1.2890000000e-04 -1.5636000000e-03 -4.0676000000e-03 -1.4041000000e-03  2.4523000000e-03  2.7088000000e-03  2.3695000000e-03 -1.1664000000e-03 -3.8169000000e-03 -1.3511000000e-03  3.6344000000e-03  1.8283000000e-03 -2.1223000000e-03 -1.1661000000e-03  1.1650000000e-03
-
-JOB 40
-COORDS -9.9269300000e-01 -7.0607200000e-01  1.2517770000e+00 -5.3335300000e-01 -2.4814600000e-01  1.9557240000e+00 -1.4967270000e+00 -2.2781000000e-02  8.0985500000e-01  1.0517880000e+00  6.0957200000e-01 -1.2932550000e+00  8.4499600000e-01  1.5409830000e+00 -1.2161670000e+00  3.0008000000e-01  1.6373600000e-01 -9.0287300000e-01
-ENERGY -1.526553857093e+02
-FORCES -9.1320000000e-04  3.7818000000e-03  4.6058000000e-03 -2.6444000000e-03 -1.8635000000e-03 -3.4199000000e-03  4.4279000000e-03 -2.9308000000e-03 -2.1840000000e-04 -3.6922000000e-03  1.5000000000e-06  2.6019000000e-03  3.2710000000e-04 -3.7996000000e-03  2.8190000000e-04  2.4948000000e-03  4.8106000000e-03 -3.8513000000e-03
-
-JOB 41
-COORDS -1.3515410000e+00 -1.0577920000e+00 -9.3643000000e-02 -1.9679270000e+00 -6.2227800000e-01 -6.8239400000e-01 -9.1999100000e-01 -1.7140620000e+00 -6.4073200000e-01  1.3482010000e+00  1.1308150000e+00  1.3217200000e-01  2.1935140000e+00  8.4317200000e-01  4.7704800000e-01  7.5554700000e-01  4.0037100000e-01  3.0949900000e-01
-ENERGY -1.526587462211e+02
-FORCES -3.9915000000e-03 -1.6694000000e-03 -5.7575000000e-03  2.6534000000e-03 -2.5692000000e-03  2.5691000000e-03 -1.0359000000e-03  3.4828000000e-03  2.9374000000e-03 -1.2467000000e-03 -4.5167000000e-03  2.6338000000e-03 -3.2171000000e-03  6.6720000000e-04 -1.4816000000e-03  6.8378000000e-03  4.6053000000e-03 -9.0130000000e-04
-
-JOB 42
-COORDS  3.0374800000e-01  3.8991600000e-01 -1.7445700000e+00 -5.4056400000e-01  1.2681000000e-02 -1.4974620000e+00  9.5012100000e-01 -2.4325900000e-01 -1.4322830000e+00 -2.9916700000e-01 -3.8761000000e-01  1.7278030000e+00  2.1478100000e-01  2.9297400000e-01  2.1624220000e+00 -6.8063200000e-01  4.9224000000e-02  9.6629600000e-01
-ENERGY -1.526553449203e+02
-FORCES  3.7630000000e-04 -5.7843000000e-03  6.0000000000e-04  3.1884000000e-03  3.0153000000e-03  1.2406000000e-03 -2.8968000000e-03  3.5183000000e-03 -1.8317000000e-03  9.4730000000e-04  6.2898000000e-03 -7.3540000000e-04 -2.0917000000e-03 -3.2725000000e-03 -1.3484000000e-03  4.7640000000e-04 -3.7665000000e-03  2.0750000000e-03
-
-JOB 43
-COORDS  4.4916800000e-01  1.6779480000e+00  6.1815300000e-01 -3.6353700000e-01  1.5242990000e+00  1.3634800000e-01  9.4438800000e-01  8.6484400000e-01  5.1890100000e-01 -3.6503400000e-01 -1.5837340000e+00 -5.6713500000e-01 -8.6527900000e-01 -2.1571480000e+00  1.3540000000e-02 -8.8720600000e-01 -1.5386840000e+00 -1.3680960000e+00
-ENERGY -1.526576087341e+02
-FORCES -1.6171000000e-03 -6.6273000000e-03 -3.0867000000e-03  2.1961000000e-03  2.6521000000e-03  1.6994000000e-03 -2.0930000000e-04  5.2047000000e-03  1.5776000000e-03 -4.4462000000e-03 -4.1553000000e-03 -1.1853000000e-03  2.0541000000e-03  2.5642000000e-03 -2.8156000000e-03  2.0225000000e-03  3.6160000000e-04  3.8107000000e-03
-
-JOB 44
-COORDS -7.0346000000e-02 -3.3745000000e-02 -1.7746520000e+00  5.4330500000e-01 -5.8088600000e-01 -2.2648570000e+00 -9.2874900000e-01 -4.1898400000e-01 -1.9506260000e+00  1.4362100000e-01  1.1020300000e-01  1.8538120000e+00  6.0464000000e-02 -7.1131500000e-01  1.3696390000e+00 -6.7393800000e-01  5.7604700000e-01  1.6782610000e+00
-ENERGY -1.526545178751e+02
-FORCES  1.4200000000e-05 -2.9813000000e-03 -4.3023000000e-03 -2.9190000000e-03  2.0911000000e-03  2.2962000000e-03  3.6144000000e-03  1.5316000000e-03  1.9754000000e-03 -3.1792000000e-03 -6.4550000000e-04 -5.7618000000e-03  2.2000000000e-05  1.9025000000e-03  3.8041000000e-03  2.4476000000e-03 -1.8985000000e-03  1.9884000000e-03
-
-JOB 45
-COORDS -2.4942200000e-01 -1.4072810000e+00 -1.1930730000e+00  4.1605000000e-01 -1.1058640000e+00 -1.8115590000e+00  2.8695000000e-02 -1.0515770000e+00 -3.4906000000e-01  2.0382400000e-01  1.4446640000e+00  1.1643680000e+00  8.9938400000e-01  7.9422100000e-01  1.0676690000e+00 -5.4492600000e-01  9.4806500000e-01  1.4945120000e+00
-ENERGY -1.526528176064e+02
-FORCES  3.5544000000e-03  4.0462000000e-03 -1.5130000000e-04 -2.5344000000e-03 -1.8470000000e-03  2.7954000000e-03 -4.1240000000e-04 -2.0371000000e-03 -1.7077000000e-03 -7.4000000000e-04 -2.9245000000e-03  2.3736000000e-03 -4.1042000000e-03  1.2862000000e-03 -1.2861000000e-03  4.2367000000e-03  1.4762000000e-03 -2.0239000000e-03
-
-JOB 46
-COORDS -1.6191310000e+00  6.6285100000e-01  5.1302200000e-01 -9.8537600000e-01  1.3460460000e+00  7.3172600000e-01 -2.0356320000e+00  9.7066800000e-01 -2.9196700000e-01  1.6585770000e+00 -7.3884000000e-01 -4.5081200000e-01  8.6716200000e-01 -3.9094200000e-01 -3.9885000000e-02  1.4744830000e+00 -7.0897600000e-01 -1.3896670000e+00
-ENERGY -1.526566338508e+02
-FORCES -2.5994000000e-03  5.7734000000e-03 -1.3991000000e-03 -1.5837000000e-03 -4.8038000000e-03 -1.9431000000e-03  2.4129000000e-03 -1.5369000000e-03  3.4922000000e-03 -5.7778000000e-03  4.1420000000e-04 -1.7014000000e-03  6.4586000000e-03 -4.9800000000e-05 -1.8105000000e-03  1.0893000000e-03  2.0280000000e-04  3.3618000000e-03
-
-JOB 47
-COORDS  1.7694750000e+00  7.3745000000e-02  2.1692100000e-01  1.5397790000e+00  5.5446000000e-01  1.0121470000e+00  2.6917580000e+00 -1.5481800000e-01  3.3261500000e-01 -1.7934760000e+00 -1.6131000000e-01 -2.5975300000e-01 -2.5340870000e+00  3.7047000000e-01  3.1688000000e-02 -1.2137530000e+00  4.5749200000e-01 -7.0386800000e-01
-ENERGY -1.526549887315e+02
-FORCES  3.0294000000e-03 -2.4120000000e-04  4.4550000000e-03  1.3029000000e-03 -1.0815000000e-03 -3.8063000000e-03 -3.8054000000e-03  1.0103000000e-03 -2.7990000000e-04  5.7720000000e-04  4.1005000000e-03 -1.7456000000e-03  3.2889000000e-03 -2.1056000000e-03 -7.7850000000e-04 -4.3931000000e-03 -1.6824000000e-03  2.1553000000e-03
-
-JOB 48
-COORDS -1.4154550000e+00  5.0040500000e-01 -1.0786850000e+00 -2.3666480000e+00  4.4984000000e-01 -9.8430700000e-01 -1.0733330000e+00  6.7311000000e-02 -2.9662700000e-01  1.4045290000e+00 -5.2607500000e-01  1.0408670000e+00  1.7458270000e+00 -1.4405700000e-01  2.3228200000e-01  1.8329910000e+00 -3.1504000000e-02  1.7394750000e+00
-ENERGY -1.526579386312e+02
-FORCES -2.1446000000e-03 -2.5765000000e-03  4.3470000000e-03  3.5731000000e-03  2.4420000000e-04 -2.4520000000e-04 -3.0354000000e-03  2.7961000000e-03 -5.3046000000e-03  5.3472000000e-03  3.5072000000e-03  9.7900000000e-05 -2.1034000000e-03 -1.7959000000e-03  4.1022000000e-03 -1.6369000000e-03 -2.1752000000e-03 -2.9973000000e-03
-
-JOB 49
-COORDS -1.4249310000e+00 -1.1584940000e+00 -2.2730000000e-01 -1.0658650000e+00 -8.5633400000e-01 -1.0615680000e+00 -1.6958420000e+00 -2.0610290000e+00 -3.9543400000e-01  1.4153960000e+00  1.1858030000e+00  2.1202600000e-01  1.5271190000e+00  4.6641600000e-01  8.3350200000e-01  1.3562740000e+00  1.9688190000e+00  7.5940300000e-01
-ENERGY -1.526558520047e+02
-FORCES  4.4160000000e-04 -1.3083000000e-03 -4.8665000000e-03 -2.4674000000e-03 -2.6410000000e-03  3.2093000000e-03  1.3371000000e-03  3.6584000000e-03  8.6070000000e-04 -8.0040000000e-04 -1.8860000000e-04  5.5829000000e-03  9.1900000000e-04  3.4497000000e-03 -2.6102000000e-03  5.7020000000e-04 -2.9703000000e-03 -2.1762000000e-03
-
-JOB 50
-COORDS  3.1989400000e-01 -4.6130200000e-01  1.8022110000e+00  1.1889040000e+00 -6.8889100000e-01  2.1327530000e+00  2.4542800000e-01  4.8117600000e-01  1.9519500000e+00 -3.1294500000e-01  3.7329400000e-01 -1.8144240000e+00 -3.0232300000e-01  1.3110190000e+00 -1.6226120000e+00 -1.1567570000e+00  2.2521300000e-01 -2.2413720000e+00
-ENERGY -1.526524276780e+02
-FORCES  3.4887000000e-03  2.8128000000e-03  6.4150000000e-04 -3.6035000000e-03  9.1190000000e-04 -1.0872000000e-03  1.0680000000e-04 -3.4417000000e-03 -2.9840000000e-04 -3.7087000000e-03  2.4843000000e-03 -1.9750000000e-04  1.7750000000e-04 -3.5034000000e-03 -5.7500000000e-04  3.5392000000e-03  7.3610000000e-04  1.5165000000e-03
-
-JOB 51
-COORDS  9.5975700000e-01 -1.0666090000e+00  1.2826120000e+00  7.6533500000e-01 -2.4431000000e-01  1.7323400000e+00  2.5746100000e-01 -1.6589350000e+00  1.5512430000e+00 -9.3507200000e-01  1.0509380000e+00 -1.2671420000e+00 -1.3669100000e-01  6.2808900000e-01 -1.5834010000e+00 -1.2867130000e+00  1.5036160000e+00 -2.0337340000e+00
-ENERGY -1.526561361889e+02
-FORCES -4.7137000000e-03  1.4066000000e-03  3.1569000000e-03  1.5854000000e-03 -3.7570000000e-03 -1.3326000000e-03  3.2020000000e-03  1.9789000000e-03 -7.8740000000e-04  2.4379000000e-03 -5.5690000000e-04 -4.4102000000e-03 -3.9507000000e-03  2.8372000000e-03  2.7500000000e-04  1.4391000000e-03 -1.9088000000e-03  3.0982000000e-03
-
-JOB 52
-COORDS -1.7875440000e+00  2.9276300000e-01 -7.3750000000e-01 -1.6597970000e+00 -2.1066800000e-01 -1.5415340000e+00 -1.1897150000e+00  1.0355360000e+00 -8.2188600000e-01  1.6784590000e+00 -3.0765200000e-01  7.6123200000e-01  1.9655720000e+00 -8.7230000000e-03  1.6240400000e+00  2.4819470000e+00 -5.9375500000e-01  3.2674000000e-01
-ENERGY -1.526541023836e+02
-FORCES  5.0863000000e-03  2.8260000000e-04 -2.5394000000e-03 -1.0898000000e-03  2.0328000000e-03  2.6333000000e-03 -3.7237000000e-03 -1.9822000000e-03 -4.8140000000e-04  4.3290000000e-03 -5.8190000000e-04  2.7302000000e-03 -1.0054000000e-03 -1.0782000000e-03 -3.8078000000e-03 -3.5963000000e-03  1.3269000000e-03  1.4651000000e-03
-
-JOB 53
-COORDS  1.2231740000e+00 -1.6152800000e+00  4.0712000000e-02  1.6284360000e+00 -1.1258500000e+00 -6.7514700000e-01  4.3690900000e-01 -1.1147710000e+00  2.5868200000e-01 -1.1499820000e+00  1.5053530000e+00 -1.0984000000e-02 -1.1603920000e+00  2.3239400000e+00  4.8503900000e-01 -1.9757480000e+00  1.5075590000e+00 -4.9506800000e-01
-ENERGY -1.526574688169e+02
-FORCES -2.4438000000e-03  5.5913000000e-03 -1.8459000000e-03 -8.1420000000e-04 -2.5391000000e-03  2.4052000000e-03  3.9580000000e-03 -4.4521000000e-03 -6.1520000000e-04 -4.0150000000e-03  4.7255000000e-03  2.9940000000e-04 -2.7850000000e-04 -3.3326000000e-03 -2.3581000000e-03  3.5936000000e-03  7.0000000000e-06  2.1146000000e-03
-
-JOB 54
-COORDS  1.1982140000e+00 -1.4737830000e+00  5.5959400000e-01  1.2708880000e+00 -2.0493770000e+00  1.3209370000e+00  2.9850100000e-01 -1.1484500000e+00  5.8971200000e-01 -1.1643980000e+00  1.4415160000e+00 -5.6896200000e-01 -1.5760750000e+00  1.6828100000e+00 -1.3987400000e+00 -5.0099500000e-01  2.1163550000e+00 -4.2501600000e-01
-ENERGY -1.526566853638e+02
-FORCES -4.3052000000e-03 -3.3790000000e-04  2.5385000000e-03 -2.6040000000e-04  2.2709000000e-03 -2.9284000000e-03  4.9863000000e-03 -3.0832000000e-03  1.0683000000e-03  1.1899000000e-03  4.4698000000e-03 -3.6332000000e-03  1.6135000000e-03 -6.8850000000e-04  3.5025000000e-03 -3.2241000000e-03 -2.6311000000e-03 -5.4770000000e-04
-
-JOB 55
-COORDS  4.0088300000e-01 -1.3168040000e+00  1.4026250000e+00  3.7099000000e-01 -2.2371910000e+00  1.6638250000e+00  9.6559800000e-01 -1.3048690000e+00  6.2984700000e-01 -3.7581100000e-01  1.3861250000e+00 -1.3920590000e+00 -1.2103190000e+00  1.4511350000e+00 -1.8563900000e+00 -5.8626600000e-01  9.1677000000e-01 -5.8481300000e-01
-ENERGY -1.526566299814e+02
-FORCES  3.1469000000e-03 -4.8318000000e-03 -1.2090000000e-03  3.1470000000e-04  3.7644000000e-03 -1.1202000000e-03 -3.4116000000e-03  2.3040000000e-04  3.4657000000e-03 -4.8587000000e-03 -1.3076000000e-03  2.2033000000e-03  3.3167000000e-03 -2.1470000000e-04  1.6888000000e-03  1.4920000000e-03  2.3593000000e-03 -5.0286000000e-03
-
-JOB 56
-COORDS  1.5041180000e+00  1.1033030000e+00 -6.7645000000e-01  1.6367110000e+00  1.8986100000e-01 -4.2292600000e-01  2.2701320000e+00  1.3182660000e+00 -1.2086580000e+00 -1.5769980000e+00 -1.1187580000e+00  7.3072600000e-01 -1.0516060000e+00 -1.1707100000e+00 -6.7707000000e-02 -1.7062730000e+00 -1.8096100000e-01  8.7234700000e-01
-ENERGY -1.526553789937e+02
-FORCES  5.1230000000e-03 -2.0738000000e-03 -1.0307000000e-03 -1.7274000000e-03  3.6394000000e-03 -1.7655000000e-03 -3.1964000000e-03 -1.0430000000e-03  2.3015000000e-03  9.1050000000e-04  4.7099000000e-03 -3.0695000000e-03 -1.1851000000e-03 -7.7140000000e-04  3.6608000000e-03  7.5400000000e-05 -4.4611000000e-03 -9.6500000000e-05
-
-JOB 57
-COORDS -1.7035000000e+00  1.0619130000e+00 -9.5170000000e-02 -2.5567200000e+00  7.4940800000e-01  2.0580800000e-01 -1.6653930000e+00  8.0550300000e-01 -1.0166010000e+00  1.7638860000e+00 -1.0115890000e+00  7.7829000000e-02  1.0809010000e+00 -6.1414400000e-01  6.1801400000e-01  2.0944390000e+00 -1.7386340000e+00  6.0544000000e-01
-ENERGY -1.526563373570e+02
-FORCES -4.0938000000e-03 -1.5724000000e-03 -3.6036000000e-03  3.7096000000e-03  1.1426000000e-03 -1.1067000000e-03 -5.7350000000e-04  1.1147000000e-03  4.2604000000e-03 -1.9366000000e-03 -3.8350000000e-04  4.5692000000e-03  4.2775000000e-03 -3.0722000000e-03 -2.0586000000e-03 -1.3830000000e-03  2.7708000000e-03 -2.0606000000e-03
-
-JOB 58
-COORDS -4.7303300000e-01 -1.9373680000e+00 -5.8437200000e-01 -4.7615400000e-01 -1.4284370000e+00 -1.3950580000e+00 -1.1606900000e+00 -1.5408640000e+00 -4.9448000000e-02  4.7031500000e-01  1.9203880000e+00  5.6174600000e-01  2.4013900000e-01  1.4484320000e+00  1.3620630000e+00  1.4106650000e+00  1.7741070000e+00  4.5890100000e-01
-ENERGY -1.526553151876e+02
-FORCES -3.0214000000e-03  4.6396000000e-03 -1.6851000000e-03  4.5900000000e-05 -2.9016000000e-03  2.9782000000e-03  2.7852000000e-03 -2.0784000000e-03 -1.4772000000e-03  3.7837000000e-03 -2.7712000000e-03  3.1332000000e-03  2.8670000000e-04  2.0422000000e-03 -3.3253000000e-03 -3.8801000000e-03  1.0693000000e-03  3.7610000000e-04
-
-JOB 59
-COORDS -1.3633670000e+00 -1.1485880000e+00  1.0873800000e+00 -1.5158300000e+00 -7.2583300000e-01  2.4223900000e-01 -1.3187850000e+00 -4.2541400000e-01  1.7128910000e+00  1.4134860000e+00  1.1215910000e+00 -1.1115760000e+00  1.1566510000e+00  1.1957430000e+00 -1.9246300000e-01  9.1883800000e-01  3.7041600000e-01 -1.4391290000e+00
-ENERGY -1.526537713427e+02
-FORCES -2.1837000000e-03  4.0938000000e-03 -3.7300000000e-05  2.1018000000e-03 -1.6351000000e-03  3.3187000000e-03  5.1480000000e-04 -2.9190000000e-03 -3.1433000000e-03 -1.8342000000e-03 -3.6130000000e-03  2.6364000000e-03  2.8850000000e-04  3.3230000000e-04 -3.9706000000e-03  1.1129000000e-03  3.7409000000e-03  1.1962000000e-03
-
-JOB 60
-COORDS -2.5631500000e-01  4.3443100000e-01 -2.0360930000e+00 -6.9588000000e-01  1.1509710000e+00 -2.4938980000e+00 -7.5776800000e-01  3.2219000000e-01 -1.2285180000e+00  2.5802200000e-01 -4.7157400000e-01  1.9866370000e+00  5.4176600000e-01 -8.2032200000e-01  2.8316790000e+00  1.0551470000e+00 -1.1564100000e-01  1.5940370000e+00
-ENERGY -1.526560995643e+02
-FORCES -4.4603000000e-03  1.9621000000e-03  1.7189000000e-03  1.8046000000e-03 -2.8195000000e-03  1.7726000000e-03  2.4781000000e-03  1.1706000000e-03 -4.4308000000e-03  4.9403000000e-03 -4.8400000000e-04  2.3160000000e-03 -9.6910000000e-04  1.5305000000e-03 -3.3729000000e-03 -3.7936000000e-03 -1.3597000000e-03  1.9961000000e-03
-
-JOB 61
-COORDS  2.0294040000e+00 -4.3141200000e-01 -6.6039800000e-01  1.3044530000e+00 -1.0564380000e+00 -6.6504900000e-01  2.8143430000e+00 -9.7373600000e-01 -7.3777800000e-01 -1.9741870000e+00  5.3332400000e-01  6.7854500000e-01 -2.1735640000e+00 -3.9461500000e-01  8.0268200000e-01 -2.7825180000e+00  9.0770100000e-01  3.2829400000e-01
-ENERGY -1.526533659334e+02
-FORCES -4.4620000000e-04 -4.3431000000e-03 -8.6600000000e-05  3.4208000000e-03  1.7425000000e-03 -1.9040000000e-04 -3.2288000000e-03  2.2773000000e-03  3.3910000000e-04 -4.4139000000e-03 -1.5496000000e-03 -7.3830000000e-04  1.3370000000e-03  3.5287000000e-03 -8.7410000000e-04  3.3311000000e-03 -1.6558000000e-03  1.5504000000e-03
-
-JOB 62
-COORDS -1.6728550000e+00  1.3992160000e+00  3.9368200000e-01 -2.0425890000e+00  2.2671270000e+00  2.3163700000e-01 -1.0865420000e+00  1.5236540000e+00  1.1399970000e+00  1.6143190000e+00 -1.4885960000e+00 -4.3970600000e-01  1.6172430000e+00 -5.4120500000e-01 -3.0305100000e-01  2.5269570000e+00 -1.7511780000e+00 -3.1981500000e-01
-ENERGY -1.526537510743e+02
-FORCES -2.6600000000e-05  3.9514000000e-03  2.6463000000e-03  1.6500000000e-03 -3.6467000000e-03  6.8710000000e-04 -1.7854000000e-03 -4.3140000000e-04 -3.5226000000e-03  3.1444000000e-03  3.0431000000e-03  5.8100000000e-04  8.0110000000e-04 -4.0059000000e-03  2.6500000000e-05 -3.7835000000e-03  1.0895000000e-03 -4.1830000000e-04
-
-JOB 63
-COORDS -2.4123600000e-01 -1.8806480000e+00  1.3130210000e+00 -4.0807300000e-01 -1.0276530000e+00  9.1202600000e-01 -1.7295800000e-01 -1.6962160000e+00  2.2498000000e+00  2.5728700000e-01  1.7667100000e+00 -1.2980920000e+00 -9.9973000000e-02  2.6410990000e+00 -1.1430390000e+00  4.5102200000e-01  1.7493470000e+00 -2.2353200000e+00
-ENERGY -1.526557550701e+02
-FORCES -3.9000000000e-06  4.9573000000e-03  1.3601000000e-03  6.1700000000e-05 -4.5634000000e-03  2.7626000000e-03 -3.6110000000e-04 -8.4100000000e-04 -3.4894000000e-03 -1.9520000000e-04  3.7697000000e-03 -4.0599000000e-03  1.4059000000e-03 -3.7288000000e-03 -4.8010000000e-04 -9.0740000000e-04  4.0630000000e-04  3.9067000000e-03
-
-JOB 64
-COORDS -5.5970300000e-01 -1.9924590000e+00  1.2158840000e+00  2.2111100000e-01 -2.3576040000e+00  7.9967500000e-01 -7.1705700000e-01 -2.5599560000e+00  1.9704820000e+00  5.5971100000e-01  2.0010580000e+00 -1.1954930000e+00  3.1470700000e-01  2.9040460000e+00 -9.9346200000e-01  2.1358600000e-01  1.8495180000e+00 -2.0749610000e+00
-ENERGY -1.526536410994e+02
-FORCES  3.0605000000e-03 -3.2660000000e-03  1.1622000000e-03 -3.3959000000e-03  9.4480000000e-04  1.7671000000e-03  5.2710000000e-04  2.3456000000e-03 -3.0379000000e-03 -3.0339000000e-03  2.8311000000e-03 -2.3406000000e-03  1.1657000000e-03 -3.5272000000e-03 -9.5620000000e-04  1.6765000000e-03  6.7170000000e-04  3.4053000000e-03
-
-JOB 65
-COORDS -5.2741800000e-01 -2.0841710000e+00  1.1975460000e+00 -5.1408700000e-01 -2.8890950000e+00  1.7153800000e+00 -1.3633760000e+00 -2.1120570000e+00  7.3211200000e-01  5.3706800000e-01  2.1722690000e+00 -1.2143410000e+00  6.5188600000e-01  1.3395140000e+00 -1.6721260000e+00  1.1497680000e+00  2.1290240000e+00 -4.8020200000e-01
-ENERGY -1.526548627448e+02
-FORCES -3.7298000000e-03 -3.4068000000e-03  5.1600000000e-04 -4.2100000000e-05  3.2916000000e-03 -2.1566000000e-03  3.6222000000e-03 -7.1700000000e-05  1.7770000000e-03  2.9807000000e-03 -4.1322000000e-03  1.7310000000e-03 -5.7290000000e-04  3.6238000000e-03  1.3271000000e-03 -2.2582000000e-03  6.9530000000e-04 -3.1945000000e-03
-
-JOB 66
-COORDS  1.8232870000e+00 -1.0768190000e+00  1.6859130000e+00  1.0222010000e+00 -1.5009900000e+00  1.3783870000e+00  1.5851340000e+00 -1.5463900000e-01  1.7813030000e+00 -1.8162370000e+00  1.0298540000e+00 -1.7151400000e+00 -1.7721700000e+00  1.6574750000e+00 -9.9376400000e-01 -9.4070800000e-01  6.4472700000e-01 -1.7519910000e+00
-ENERGY -1.526537624561e+02
-FORCES -4.1555000000e-03  1.5838000000e-03 -1.8920000000e-04  3.4421000000e-03  2.1420000000e-03  9.5620000000e-04  8.3810000000e-04 -3.6715000000e-03 -8.6730000000e-04  3.6525000000e-03  1.3957000000e-03  2.0972000000e-03 -1.0400000000e-05 -2.8952000000e-03 -2.7065000000e-03 -3.7668000000e-03  1.4452000000e-03  7.0960000000e-04
-
-JOB 67
-COORDS  1.5367700000e-01 -2.8106890000e+00  8.5896800000e-01 -3.7855200000e-01 -2.1297600000e+00  1.2704290000e+00  9.5257500000e-01 -2.3591320000e+00  5.8677400000e-01 -2.2699000000e-01  2.7600130000e+00 -8.4495900000e-01  1.2649100000e-01  3.2742730000e+00 -1.5707830000e+00  5.1582600000e-01  2.2432510000e+00 -5.3284900000e-01
-ENERGY -1.526538652270e+02
-FORCES  7.3400000000e-04  4.5490000000e-03  5.6320000000e-04  2.4738000000e-03 -2.8241000000e-03 -1.6481000000e-03 -3.1298000000e-03 -1.6557000000e-03  1.0788000000e-03  4.4292000000e-03  3.7810000000e-04 -2.0319000000e-03 -1.4079000000e-03 -2.1564000000e-03  3.0648000000e-03 -3.0993000000e-03  1.7091000000e-03 -1.0268000000e-03
-
-JOB 68
-COORDS -1.6017800000e+00 -5.6954600000e-01  2.5593700000e+00 -9.9847200000e-01 -6.3772800000e-01  1.8193670000e+00 -1.1233740000e+00 -5.9280000000e-02  3.2128140000e+00  1.5574670000e+00  5.1874700000e-01 -2.5006220000e+00  1.3503610000e+00  7.1338000000e-02 -3.3210880000e+00  1.4460050000e+00  1.4484090000e+00 -2.6994600000e+00
-ENERGY -1.526547569685e+02
-FORCES  4.6423000000e-03  1.7592000000e-03 -6.4410000000e-04 -2.7207000000e-03  2.2490000000e-04  3.3368000000e-03 -2.0199000000e-03 -2.0102000000e-03 -2.5025000000e-03 -1.2007000000e-03  1.9904000000e-03 -4.5101000000e-03  8.5110000000e-04  1.8601000000e-03  3.4002000000e-03  4.4790000000e-04 -3.8244000000e-03  9.1970000000e-04
-
-JOB 69
-COORDS  2.2971800000e-01  2.6853640000e+00 -2.4979810000e+00  2.1775000000e-01  3.4941480000e+00 -1.9861630000e+00 -6.5773000000e-01  2.6101570000e+00 -2.8487120000e+00 -1.4763400000e-01 -2.7762070000e+00  2.4929570000e+00 -2.5809100000e-01 -2.0804010000e+00  3.1409420000e+00 -6.7533200000e-01 -2.4942870000e+00  1.7457700000e+00
-ENERGY -1.526540600874e+02
-FORCES -3.5395000000e-03  3.1394000000e-03  4.6020000000e-04 -1.0100000000e-05 -3.3752000000e-03 -2.0218000000e-03  3.5943000000e-03  2.2620000000e-04  1.5522000000e-03 -2.4326000000e-03  4.0922000000e-03 -5.8500000000e-04  3.8380000000e-04 -2.8575000000e-03 -2.5581000000e-03  2.0040000000e-03 -1.2251000000e-03  3.1527000000e-03
-
-JOB 70
-COORDS  1.2703630000e+00 -3.4172550000e+00 -1.0591750000e+00  2.0140400000e+00 -2.8158190000e+00 -1.0211010000e+00  7.9657600000e-01 -3.1632260000e+00 -1.8511510000e+00 -1.2643630000e+00  3.3960450000e+00  1.0439220000e+00 -1.8107980000e+00  2.6543780000e+00  1.3038650000e+00 -1.0134410000e+00  3.8102780000e+00  1.8695620000e+00
-ENERGY -1.526543039131e+02
-FORCES  1.1435000000e-03  3.5806000000e-03 -3.1461000000e-03 -3.0155000000e-03 -2.5242000000e-03 -1.1560000000e-04  1.8941000000e-03 -1.1012000000e-03  3.2466000000e-03 -1.2686000000e-03 -1.3411000000e-03  4.5150000000e-03  2.2454000000e-03  3.0608000000e-03 -1.1152000000e-03 -9.9890000000e-04 -1.6748000000e-03 -3.3847000000e-03
-
-JOB 71
-COORDS -7.1991500000e-01 -2.5570990000e+00 -2.6468680000e+00 -1.4443240000e+00 -2.8825530000e+00 -2.1125060000e+00 -2.6501400000e-01 -3.3463530000e+00 -2.9407660000e+00  7.1024200000e-01  2.6810090000e+00  2.6127350000e+00  3.6073600000e-01  1.7982810000e+00  2.4908010000e+00  1.5484070000e+00  2.5482150000e+00  3.0555400000e+00
-ENERGY -1.526540580320e+02
-FORCES -1.1749000000e-03 -4.5575000000e-03  7.7520000000e-04  3.0249000000e-03  1.3537000000e-03 -2.0715000000e-03 -1.8414000000e-03  3.2311000000e-03  1.2677000000e-03  2.0265000000e-03 -4.2020000000e-03  1.0558000000e-03  1.3808000000e-03  3.6129000000e-03  6.9550000000e-04 -3.4160000000e-03  5.6180000000e-04 -1.7227000000e-03
-
-JOB 72
-COORDS -1.2588630000e+00  3.9185290000e+00 -4.0064500000e-01 -1.4740920000e+00  4.8510470000e+00 -4.1845800000e-01 -2.0437260000e+00  3.4977430000e+00 -4.9703000000e-02  1.3693650000e+00 -3.9272260000e+00  3.9973400000e-01  8.2596100000e-01 -3.6054430000e+00 -3.1957000000e-01  8.2719800000e-01 -4.5857200000e+00  8.3409800000e-01
-ENERGY -1.526540029395e+02
-FORCES -4.0077000000e-03  2.1403000000e-03  1.4337000000e-03  8.5450000000e-04 -3.8181000000e-03  5.5800000000e-05  3.1707000000e-03  1.6712000000e-03 -1.4819000000e-03 -4.3901000000e-03 -1.2398000000e-03 -1.2147000000e-03  2.1756000000e-03 -1.4210000000e-03  2.9583000000e-03  2.1970000000e-03  2.6675000000e-03 -1.7512000000e-03
-
-JOB 73
-COORDS -2.0677270000e+00  3.5655400000e+00  7.6878200000e-01 -2.7027950000e+00  4.2677670000e+00  9.0948700000e-01 -1.7486070000e+00  3.3513600000e+00  1.6454350000e+00  2.0200990000e+00 -3.5845380000e+00 -8.2107600000e-01  2.5483280000e+00 -4.2829090000e+00 -4.3444500000e-01  2.6315570000e+00 -3.1002910000e+00 -1.3759230000e+00
-ENERGY -1.526539914303e+02
-FORCES -1.2974000000e-03  1.8320000000e-03  4.1661000000e-03  2.5971000000e-03 -2.8301000000e-03 -5.8710000000e-04 -1.2988000000e-03  9.7930000000e-04 -3.5616000000e-03  4.6021000000e-03 -7.7050000000e-04 -7.6310000000e-04 -2.1590000000e-03  2.8356000000e-03 -1.5443000000e-03 -2.4440000000e-03 -2.0464000000e-03  2.2899000000e-03
-
-JOB 74
-COORDS -3.5470830000e+00  2.7940540000e+00  1.2700420000e+00 -3.1124690000e+00  1.9473430000e+00  1.1679490000e+00 -3.6300210000e+00  2.9086370000e+00  2.2167330000e+00  3.4610430000e+00 -2.7356980000e+00 -1.3104130000e+00  4.2347860000e+00 -2.1788530000e+00 -1.3968730000e+00  3.8027470000e+00 -3.6290020000e+00 -1.3488680000e+00
-ENERGY -1.526541931580e+02
-FORCES  1.5146000000e-03 -3.0689000000e-03  3.3812000000e-03 -1.8434000000e-03  3.5060000000e-03  4.6800000000e-04  3.1050000000e-04 -4.2960000000e-04 -3.8317000000e-03  4.5898000000e-03 -1.3717000000e-03 -5.9080000000e-04 -3.1656000000e-03 -2.2799000000e-03  3.8810000000e-04 -1.4059000000e-03  3.6441000000e-03  1.8520000000e-04
-
-JOB 75
-COORDS -4.9630000000e-03  4.7436900000e+00  9.2622000000e-01 -4.7468400000e-01  3.9643600000e+00  6.2917000000e-01  9.1939700000e-01  4.4999810000e+00  8.7725600000e-01 -4.4101000000e-02 -4.7510270000e+00 -9.0874700000e-01  2.9004400000e-01 -4.2087170000e+00 -1.6232250000e+00 -1.6908000000e-02 -4.1799470000e+00 -1.4104800000e-01
-ENERGY -1.526539021197e+02
-FORCES  1.8393000000e-03 -4.0688000000e-03 -1.3992000000e-03  1.9590000000e-03  3.1142000000e-03  1.2094000000e-03 -3.7964000000e-03  9.2740000000e-04  1.8710000000e-04  1.4727000000e-03  4.4326000000e-03  2.0880000000e-04 -1.3703000000e-03 -2.1493000000e-03  2.9560000000e-03 -1.0420000000e-04 -2.2561000000e-03 -3.1621000000e-03
-
-JOB 76
-COORDS  1.1336860000e+00 -1.1388710000e+00 -4.5614460000e+00  9.9174100000e-01 -1.9454990000e+00 -5.0568590000e+00  1.3686830000e+00 -1.4354460000e+00 -3.6822120000e+00 -1.1703500000e+00  1.2226510000e+00  4.4855670000e+00 -1.4921300000e+00  1.1909710000e+00  5.3865030000e+00 -2.9151200000e-01  8.4610000000e-01  4.5312390000e+00
-ENERGY -1.526540175630e+02
-FORCES  2.9630000000e-04 -4.4624000000e-03  1.6153000000e-03  6.0470000000e-04  3.2807000000e-03  2.0067000000e-03 -8.9670000000e-04  1.1770000000e-03 -3.6091000000e-03  2.2585000000e-03 -1.5922000000e-03  3.8788000000e-03  1.3198000000e-03  1.0700000000e-04 -3.6822000000e-03 -3.5828000000e-03  1.4899000000e-03 -2.0960000000e-04
-
-JOB 77
-COORDS -4.6066060000e+00 -1.4598780000e+00  2.1292340000e+00 -4.3979200000e+00 -1.7370550000e+00  3.0213410000e+00 -5.5406360000e+00 -1.6455410000e+00  2.0325430000e+00  4.6413020000e+00  1.4177280000e+00 -2.1632470000e+00  4.6205020000e+00  2.1164540000e+00 -1.5093500000e+00  4.7786960000e+00  1.8713250000e+00 -2.9948740000e+00
-ENERGY -1.526540176032e+02
-FORCES -2.9134000000e-03 -1.9293000000e-03  3.2243000000e-03 -8.7510000000e-04  1.1504000000e-03 -3.6263000000e-03  3.7989000000e-03  7.7380000000e-04  3.9850000000e-04  3.6850000000e-04  4.6927000000e-03 -7.0870000000e-04  1.4290000000e-04 -2.8393000000e-03 -2.6711000000e-03 -5.2180000000e-04 -1.8482000000e-03  3.3834000000e-03
-
-JOB 78
-COORDS -7.7672600000e-01  5.2811130000e+00 -3.0746900000e-01 -6.7195200000e-01  4.6809820000e+00  4.3083700000e-01 -1.5441460000e+00  5.8070080000e+00 -8.2230000000e-02  8.8604700000e-01 -5.2755290000e+00  2.5448100000e-01  3.0102700000e-01 -5.1794920000e+00 -4.9702400000e-01  2.9959400000e-01 -5.3972500000e+00  1.0011330000e+00
-ENERGY -1.526540550896e+02
-FORCES -2.6484000000e-03 -2.9160000000e-04  3.9439000000e-03 -4.6820000000e-04  2.4479000000e-03 -3.0174000000e-03  3.1153000000e-03 -2.1580000000e-03 -9.2510000000e-04 -4.7619000000e-03 -1.2070000000e-04 -6.9700000000e-05  2.3745000000e-03 -3.9490000000e-04  3.0954000000e-03  2.3887000000e-03  5.1740000000e-04 -3.0271000000e-03
-
-JOB 79
-COORDS -4.8163150000e+00  2.3832480000e+00 -2.0613100000e-01 -4.9808120000e+00  3.0069250000e+00 -9.1337900000e-01 -5.2684430000e+00  2.7546990000e+00  5.5138900000e-01  4.7783290000e+00 -2.4488830000e+00  2.0076500000e-01  5.3390490000e+00 -1.9687430000e+00  8.1010100000e-01  5.3854690000e+00 -2.8358740000e+00 -4.2998900000e-01
-ENERGY -1.526539564269e+02
-FORCES -2.4665000000e-03  4.0290000000e-03  2.0720000000e-04  6.5260000000e-04 -2.5331000000e-03  2.8862000000e-03  1.8291000000e-03 -1.5040000000e-03 -3.0930000000e-03  4.7103000000e-03  4.0450000000e-04 -9.2900000000e-05 -2.2638000000e-03 -1.9694000000e-03 -2.4840000000e-03 -2.4616000000e-03  1.5730000000e-03  2.5765000000e-03
-
-JOB 80
-COORDS -2.8605910000e+00 -4.5878130000e+00  8.1007400000e-01 -3.5333400000e+00 -3.9202060000e+00  6.7613300000e-01 -3.1938580000e+00 -5.3595750000e+00  3.5230900000e-01  2.9251870000e+00  4.6570290000e+00 -7.6230600000e-01  2.3391910000e+00  4.3624440000e+00 -1.4594860000e+00  3.2538620000e+00  3.8492350000e+00 -3.6774900000e-01
-ENERGY -1.526541321504e+02
-FORCES -4.1534000000e-03 -4.7930000000e-04 -2.3673000000e-03  2.7789000000e-03 -2.6966000000e-03  5.2100000000e-04  1.3734000000e-03  3.1670000000e-03  1.8514000000e-03 -1.0399000000e-03 -4.5407000000e-03 -1.2046000000e-03  2.3752000000e-03  1.2277000000e-03  2.8233000000e-03 -1.3343000000e-03  3.3220000000e-03 -1.6238000000e-03
-
-JOB 81
-COORDS  5.4755200000e+00  9.5058700000e-01  6.6940000000e-02  5.4502720000e+00  1.8011250000e+00 -3.7144200000e-01  6.1982830000e+00  1.0232450000e+00  6.9029100000e-01 -5.5323990000e+00 -9.9847200000e-01 -1.3522000000e-01 -5.5269070000e+00 -1.7719760000e+00  4.2860000000e-01 -5.1606280000e+00 -3.0320400000e-01  4.0756900000e-01
-ENERGY -1.526540923538e+02
-FORCES  2.8687000000e-03  3.7626000000e-03  7.0450000000e-04  9.6600000000e-05 -3.4659000000e-03  1.8140000000e-03 -2.9628000000e-03 -2.9740000000e-04 -2.5250000000e-03  1.6271000000e-03 -3.4060000000e-04  4.5019000000e-03 -6.5800000000e-05  3.1559000000e-03 -2.2905000000e-03 -1.5639000000e-03 -2.8145000000e-03 -2.2049000000e-03
-
-JOB 82
-COORDS -4.1442060000e+00 -4.3648680000e+00  6.0957800000e-01 -5.0262630000e+00 -4.6282240000e+00  8.7197100000e-01 -3.8923240000e+00 -5.0021310000e+00 -5.8766000000e-02  4.2323950000e+00  4.4395020000e+00 -5.6078200000e-01  4.0257790000e+00  3.5096880000e+00 -6.5558400000e-01  3.4951430000e+00  4.8921490000e+00 -9.7042000000e-01
-ENERGY -1.526541313978e+02
-FORCES -2.5941000000e-03 -3.7068000000e-03 -1.6226000000e-03  3.6020000000e-03  1.0820000000e-03 -1.0830000000e-03 -1.0131000000e-03  2.6205000000e-03  2.7117000000e-03 -3.8931000000e-03 -1.9780000000e-03 -2.0202000000e-03  8.7420000000e-04  3.8043000000e-03  3.6280000000e-04  3.0241000000e-03 -1.8220000000e-03  1.6512000000e-03
-
-JOB 83
-COORDS  5.7749760000e+00  3.3951990000e+00 -1.9672740000e+00  6.1388050000e+00  4.0015430000e+00 -2.6124150000e+00  4.8345180000e+00  3.5733090000e+00 -1.9741780000e+00 -5.7910480000e+00 -3.4092770000e+00  2.0434520000e+00 -5.3644460000e+00 -3.0741570000e+00  1.2548220000e+00 -5.3764100000e+00 -4.2579850000e+00  2.1983810000e+00
-ENERGY -1.526540830169e+02
-FORCES -2.3357000000e-03  3.2292000000e-03 -2.6497000000e-03 -1.4902000000e-03 -2.4827000000e-03  2.6275000000e-03  3.8275000000e-03 -7.4750000000e-04  2.2600000000e-05  3.4441000000e-03 -2.1098000000e-03 -2.5714000000e-03 -1.7470000000e-03 -1.3539000000e-03  3.2088000000e-03 -1.6988000000e-03  3.4648000000e-03 -6.3770000000e-04
-
-JOB 84
-COORDS -2.0730500000e+00 -6.8004860000e+00 -1.0634870000e+00 -1.2892990000e+00 -6.3342100000e+00 -1.3542680000e+00 -2.3789940000e+00 -7.2647830000e+00 -1.8426270000e+00  2.0308300000e+00  6.7359000000e+00  1.1497410000e+00  2.7440280000e+00  7.0813550000e+00  6.1286100000e-01  1.5005720000e+00  7.5027250000e+00  1.3666230000e+00
-ENERGY -1.526540679742e+02
-FORCES  1.9591000000e-03  4.5900000000e-05 -4.3517000000e-03 -3.2000000000e-03 -1.9271000000e-03  1.1739000000e-03  1.2430000000e-03  1.8815000000e-03  3.1753000000e-03  7.3560000000e-04  4.5413000000e-03 -1.2861000000e-03 -2.9066000000e-03 -1.4154000000e-03  2.1816000000e-03  2.1689000000e-03 -3.1263000000e-03 -8.9300000000e-04
-
-JOB 85
-COORDS -5.5678520000e+00 -3.4358130000e+00 -3.4855890000e+00 -5.9411710000e+00 -3.3359300000e+00 -4.3613100000e+00 -5.5596280000e+00 -2.5489160000e+00 -3.1256200000e+00  5.6425410000e+00  3.3908720000e+00  3.5594450000e+00  5.1709640000e+00  2.5761730000e+00  3.3859200000e+00  5.2237080000e+00  4.0365040000e+00  2.9902600000e+00
-ENERGY -1.526540684402e+02
-FORCES -1.5215000000e-03  4.0058000000e-03 -2.1168000000e-03  1.5340000000e-03 -3.9800000000e-04  3.5779000000e-03 -1.1000000000e-05 -3.6098000000e-03 -1.4603000000e-03 -3.6248000000e-03 -7.0720000000e-04 -3.0259000000e-03  1.9195000000e-03  3.3360000000e-03  7.0520000000e-04  1.7037000000e-03 -2.6267000000e-03  2.3199000000e-03
-
-JOB 86
-COORDS  6.9993550000e+00  1.5890410000e+00 -4.9747220000e+00  7.5594000000e+00  2.2152610000e+00 -4.5159950000e+00  6.5564360000e+00  2.1093570000e+00 -5.6450390000e+00 -7.0216270000e+00 -1.6498680000e+00  5.0396800000e+00 -6.1371030000e+00 -1.5792080000e+00  4.6807150000e+00 -7.5888580000e+00 -1.7065800000e+00  4.2707420000e+00
-ENERGY -1.526540875611e+02
-FORCES  4.9850000000e-04  4.6789000000e-03 -8.7010000000e-04 -2.2931000000e-03 -2.5548000000e-03 -1.8689000000e-03  1.7961000000e-03 -2.1248000000e-03  2.7386000000e-03  1.3043000000e-03  4.6400000000e-05 -4.6041000000e-03 -3.6135000000e-03 -2.8180000000e-04  1.4666000000e-03  2.3077000000e-03  2.3620000000e-04  3.1379000000e-03
-
-JOB 87
-COORDS -4.1756560000e+00 -2.7673440000e+00 -7.2711750000e+00 -4.6733730000e+00 -2.0169340000e+00 -7.5958200000e+00 -3.5176510000e+00 -2.9294880000e+00 -7.9471720000e+00  4.1901900000e+00  2.6870550000e+00  7.3666410000e+00  3.8335850000e+00  3.5529730000e+00  7.5647570000e+00  4.1898400000e+00  2.6403650000e+00  6.4105800000e+00
-ENERGY -1.526540731071e+02
-FORCES  6.4630000000e-04  2.3854000000e-03 -4.0894000000e-03  2.0348000000e-03 -3.0549000000e-03  1.3290000000e-03 -2.6814000000e-03  6.6850000000e-04  2.7610000000e-03 -1.4689000000e-03  3.3294000000e-03 -3.0972000000e-03  1.4599000000e-03 -3.5271000000e-03 -8.0570000000e-04  9.3000000000e-06  1.9870000000e-04  3.9023000000e-03
-
-JOB 88
-COORDS -8.1686640000e+00  3.4815230000e+00  8.5102600000e-01 -8.3859410000e+00  2.7258310000e+00  1.3968760000e+00 -8.2988500000e+00  3.1747810000e+00 -4.6299000000e-02  8.2202740000e+00 -3.4816470000e+00 -7.9974700000e-01  8.5665140000e+00 -2.5918350000e+00 -8.6745800000e-01  7.3431810000e+00 -3.4273940000e+00 -1.1792150000e+00
-ENERGY -1.526540791990e+02
-FORCES -1.4362000000e-03 -4.3313000000e-03 -1.4261000000e-03  8.9440000000e-04  3.0817000000e-03 -2.2310000000e-03  5.4170000000e-04  1.2505000000e-03  3.6575000000e-03 -2.1613000000e-03  3.8600000000e-03 -1.8193000000e-03 -1.4131000000e-03 -3.6334000000e-03  2.7340000000e-04  3.5745000000e-03 -2.2750000000e-04  1.5455000000e-03
-
-JOB 89
-COORDS -9.3129580000e+00  4.6585700000e-01  2.7079990000e+00 -9.8289470000e+00 -3.3278900000e-01  2.5977690000e+00 -9.0787740000e+00  4.7409200000e-01  3.6360740000e+00  9.3577080000e+00 -4.7237400000e-01 -2.7286710000e+00  9.1961540000e+00 -2.6519300000e-01 -3.6491100000e+00  9.0138760000e+00  2.8130300000e-01 -2.2491060000e+00
-ENERGY -1.526540867042e+02
-FORCES -1.1524000000e-03 -3.2294000000e-03  3.3384000000e-03  2.1050000000e-03  3.2596000000e-03  4.4850000000e-04 -9.5360000000e-04 -3.0400000000e-05 -3.7866000000e-03 -2.0708000000e-03  3.9217000000e-03 -1.8001000000e-03  6.6390000000e-04 -8.4650000000e-04  3.7538000000e-03  1.4078000000e-03 -3.0750000000e-03 -1.9540000000e-03
-
-JOB 0
-COORDS  2.6720700000e-01 -2.4990600000e-01  1.2092930000e+00 -2.5049000000e-02 -1.1503600000e+00  1.3507140000e+00  1.1796540000e+00 -2.4551800000e-01  1.4985230000e+00 -2.6861500000e-01  3.2273400000e-01 -1.2993290000e+00  2.6016000000e-02 -2.2554500000e-01 -5.7213200000e-01 -1.1218740000e+00  6.5425800000e-01 -1.0195590000e+00
-ENERGY -1.526551822289e+02
-FORCES  1.3759000000e-03  2.5215000000e-03 -4.6185000000e-03  1.6648000000e-03  5.6538000000e-03 -5.1797000000e-03 -5.2550000000e-03 -1.0883000000e-03 -2.1191000000e-03  1.8635000000e-03 -1.2445000000e-03  2.0472200000e-02 -9.5970000000e-04 -4.7309000000e-03 -6.6746000000e-03  1.3105000000e-03 -1.1116000000e-03 -1.8802000000e-03
-
-JOB 1
-COORDS -4.6624700000e-01 -9.9782000000e-01 -8.0130600000e-01 -1.3468530000e+00 -1.2229300000e+00 -5.0115500000e-01 -2.3425800000e-01 -2.1620800000e-01 -2.9981300000e-01  5.3854200000e-01  9.0999900000e-01  7.2918000000e-01  4.9522900000e-01  1.7968070000e+00  3.7151100000e-01 -2.9064000000e-02  9.3394900000e-01  1.4995570000e+00
-ENERGY -1.526575867881e+02
-FORCES  6.5449000000e-03  1.2990800000e-02  1.0599500000e-02  3.1119000000e-03  2.4148000000e-03  1.0522000000e-03 -7.0829000000e-03 -6.1552000000e-03 -5.3226000000e-03 -2.8471000000e-03 -2.5963000000e-03 -1.8329000000e-03 -1.1821000000e-03 -5.8871000000e-03  1.8234000000e-03  1.4552000000e-03 -7.6700000000e-04 -6.3196000000e-03
-
-JOB 2
-COORDS -1.9352800000e-01 -9.8898100000e-01  7.6185700000e-01  3.2521000000e-02 -1.9129220000e+00  6.5477700000e-01 -4.1151000000e-01 -9.0122600000e-01  1.6897660000e+00  1.6230300000e-01  1.0568000000e+00 -8.7930900000e-01 -1.7551000000e-02  2.7161700000e-01 -3.6222800000e-01  7.8228700000e-01  1.5569050000e+00 -3.4851200000e-01
-ENERGY -1.526589969506e+02
-FORCES  1.1557000000e-03  6.3790000000e-03 -4.4208000000e-03 -1.4900000000e-03  4.4851000000e-03  2.3427000000e-03  2.0518000000e-03 -2.1007000000e-03 -4.2347000000e-03 -3.7360000000e-04 -1.2643100000e-02  1.1994000000e-02  4.8710000000e-04  5.0176000000e-03 -4.9834000000e-03 -1.8310000000e-03 -1.1378000000e-03 -6.9760000000e-04
-
-JOB 3
-COORDS -1.2024550000e+00 -4.1561900000e-01  1.4129800000e-01 -1.6397330000e+00  2.9770000000e-03 -6.0018500000e-01 -1.9143940000e+00 -6.6259400000e-01  7.3153300000e-01  1.2868300000e+00  4.5659600000e-01 -1.8324400000e-01  1.8625720000e+00  8.9855000000e-02  4.8776500000e-01  4.4739900000e-01  1.7829000000e-02 -4.5144000000e-02
-ENERGY -1.526590213167e+02
-FORCES  5.6670000000e-03  3.7931000000e-03  6.5510000000e-04  2.2372000000e-03 -2.5605000000e-03  4.6153000000e-03  1.6819000000e-03  1.6243000000e-03 -4.1468000000e-03 -1.2861200000e-02 -6.5796000000e-03  5.0815000000e-03 -2.3570000000e-03  5.8620000000e-04 -1.2042000000e-03  5.6321000000e-03  3.1363000000e-03 -5.0009000000e-03
-
-JOB 4
-COORDS -2.9396200000e-01  2.5535000000e-01  1.2298680000e+00  1.8156500000e-01  9.0406000000e-02  2.0440550000e+00 -7.8138100000e-01  1.0622560000e+00  1.3958740000e+00  3.5410800000e-01 -3.1179500000e-01 -1.3145860000e+00  2.2157000000e-01 -1.5000000000e-01 -3.8051500000e-01 -4.8845900000e-01 -1.0050700000e-01 -1.7166680000e+00
-ENERGY -1.526595374322e+02
-FORCES  2.3352000000e-03  7.3640000000e-04 -4.9733000000e-03 -3.0704000000e-03  2.0431000000e-03 -3.6426000000e-03  2.3745000000e-03 -4.3945000000e-03  1.6330000000e-04 -5.9945000000e-03  3.1621000000e-03  1.4788200000e-02  2.3768000000e-03 -1.8437000000e-03 -7.7650000000e-03  1.9784000000e-03  2.9660000000e-04  1.4294000000e-03
-
-JOB 5
-COORDS  1.8472200000e-01  5.0091000000e-02 -1.3740580000e+00 -9.7056000000e-02 -2.6101600000e-01 -5.1379900000e-01 -4.2337100000e-01  7.5889800000e-01 -1.5839340000e+00 -1.5486600000e-01 -1.0001000000e-01  1.2763380000e+00 -6.3583300000e-01  5.5589500000e-01  1.7810070000e+00  6.1254300000e-01 -2.9994800000e-01  1.8123780000e+00
-ENERGY -1.526579218032e+02
-FORCES -3.8775000000e-03  1.4103000000e-03  1.5800500000e-02  5.0920000000e-04 -1.8305000000e-03 -7.5503000000e-03  1.4090000000e-03 -1.6223000000e-03  9.5550000000e-04  3.4550000000e-03  3.4107000000e-03 -6.0654000000e-03  2.9494000000e-03 -2.8933000000e-03 -1.7481000000e-03 -4.4452000000e-03  1.5251000000e-03 -1.3923000000e-03
-
-JOB 6
-COORDS  1.0243590000e+00 -7.7383900000e-01 -5.7616100000e-01  4.2590000000e-01 -1.4242920000e+00 -9.4357100000e-01  4.7896200000e-01 -2.5069900000e-01  1.1290000000e-02 -9.4013500000e-01  7.1562100000e-01  5.6783000000e-01 -1.1824170000e+00  1.1712620000e+00 -2.3834700000e-01 -1.1025050000e+00  1.3539730000e+00  1.2623620000e+00
-ENERGY -1.526603308876e+02
-FORCES -1.1211600000e-02  4.9245000000e-03  7.5991000000e-03  1.3458000000e-03  2.4432000000e-03  2.2780000000e-04  5.7365000000e-03 -3.5062000000e-03 -5.7051000000e-03  2.5758000000e-03  1.0089000000e-03 -2.4572000000e-03  1.3169000000e-03 -2.5266000000e-03  4.8439000000e-03  2.3670000000e-04 -2.3437000000e-03 -4.5085000000e-03
-
-JOB 7
-COORDS  3.0902400000e-01  4.6382100000e-01 -1.2494720000e+00  1.2578530000e+00  5.7685700000e-01 -1.1930960000e+00 -5.0429000000e-02  1.2079560000e+00 -7.6647100000e-01 -2.8563100000e-01 -5.5200500000e-01  1.2353570000e+00 -9.1824900000e-01 -1.5306800000e-01  1.8327480000e+00 -5.6292900000e-01 -2.6480500000e-01  3.6538400000e-01
-ENERGY -1.526549204401e+02
-FORCES  6.5929000000e-03  9.8440000000e-04  7.5787000000e-03 -4.3679000000e-03  8.4610000000e-04 -1.9289000000e-03 -1.8691000000e-03 -7.4755000000e-03  7.5040000000e-04  2.2580000000e-04  9.0540000000e-04 -9.2675000000e-03  2.7777000000e-03  5.5350000000e-04 -4.6030000000e-03 -3.3594000000e-03  4.1861000000e-03  7.4702000000e-03
-
-JOB 8
-COORDS -1.0455470000e+00 -9.2324700000e-01  1.1970700000e-01 -1.8543330000e+00 -4.3555200000e-01  2.7543100000e-01 -3.5549400000e-01 -2.6074900000e-01  1.5369500000e-01  9.9671100000e-01  8.7522200000e-01 -8.8319000000e-02  1.7303680000e+00  2.8894100000e-01  9.6756000000e-02  1.1337430000e+00  1.1525680000e+00 -9.9415200000e-01
-ENERGY -1.526607946958e+02
-FORCES  8.9902000000e-03  1.2223900000e-02 -3.0080000000e-04  2.7805000000e-03 -5.0170000000e-04 -9.3530000000e-04 -5.7836000000e-03 -8.9357000000e-03  1.8270000000e-03 -5.2400000000e-04 -3.6529000000e-03 -3.9514000000e-03 -5.5788000000e-03  2.3338000000e-03 -1.5492000000e-03  1.1570000000e-04 -1.4675000000e-03  4.9099000000e-03
-
-JOB 9
-COORDS -6.6714000000e-02 -4.2840800000e-01  1.2323180000e+00  7.0195300000e-01 -3.3587100000e-01  1.7951860000e+00 -8.0020200000e-01 -1.4827900000e-01  1.7798170000e+00  1.2253000000e-01  3.9584000000e-01 -1.3391010000e+00  1.0180000000e-02  2.9405900000e-01 -3.9398200000e-01 -7.4174200000e-01  6.5732300000e-01 -1.6567360000e+00
-ENERGY -1.526594526617e+02
-FORCES  1.4724000000e-03  1.5589000000e-03 -1.2688000000e-03 -4.9006000000e-03 -8.0000000000e-05 -2.4667000000e-03  4.1108000000e-03 -7.7070000000e-04 -3.4640000000e-03 -2.8309000000e-03 -4.7163000000e-03  1.3694100000e-02  2.2830000000e-04  4.9313000000e-03 -8.9993000000e-03  1.9200000000e-03 -9.2310000000e-04  2.5047000000e-03
-
-JOB 10
-COORDS -8.6436400000e-01  1.0934270000e+00  1.3687300000e-01 -1.0251900000e-01  5.3149400000e-01 -4.7430000000e-03 -5.4898700000e-01  1.7823960000e+00  7.2175900000e-01  7.6655600000e-01 -1.0486150000e+00 -1.5884200000e-01  1.2840880000e+00 -1.3979950000e+00  5.6664100000e-01  9.5130700000e-01 -1.6372050000e+00 -8.9073000000e-01
-ENERGY -1.526594018951e+02
-FORCES  8.2486000000e-03 -8.9103000000e-03 -1.1970000000e-03 -3.9770000000e-03  8.1870000000e-03  1.8725000000e-03  3.6710000000e-04 -3.5036000000e-03 -1.3014000000e-03 -2.7413000000e-03  1.1401000000e-03  1.2720000000e-04 -1.9107000000e-03  1.4719000000e-03 -4.1344000000e-03  1.3400000000e-05  1.6149000000e-03  4.6332000000e-03
-
-JOB 11
-COORDS  8.3005000000e-02  8.7875100000e-01  9.7867800000e-01  1.8401400000e-01  2.3754300000e-01  1.6821560000e+00 -2.9788000000e-02  1.7150010000e+00  1.4305580000e+00 -4.2544000000e-02 -8.9709300000e-01 -1.0985690000e+00 -7.8827000000e-01 -1.4550280000e+00 -8.7758700000e-01  1.3994000000e-02 -2.7400800000e-01 -3.7413800000e-01
-ENERGY -1.526586339297e+02
-FORCES -4.2520000000e-04  3.0380000000e-04 -2.0633000000e-03 -1.6068000000e-03  2.6647000000e-03 -5.3116000000e-03  8.5230000000e-04 -4.9359000000e-03  2.3240000000e-04 -2.1919000000e-03  8.9058000000e-03  7.9590000000e-03  2.5434000000e-03  1.7957000000e-03  6.5900000000e-04  8.2820000000e-04 -8.7342000000e-03 -1.4755000000e-03
-
-JOB 12
-COORDS  7.8275000000e-01  5.7578400000e-01 -1.0559880000e+00  2.3636800000e-01  5.1500700000e-01 -2.7240400000e-01  1.1004520000e+00 -3.1610700000e-01 -1.1967980000e+00 -7.2744200000e-01 -5.5024400000e-01  9.7705400000e-01 -1.6552690000e+00 -3.6142700000e-01  8.3663700000e-01 -5.3398600000e-01 -1.7678700000e-01  1.8369000000e+00
-ENERGY -1.526594999613e+02
-FORCES -6.8196000000e-03 -9.8190000000e-03  1.0414400000e-02  3.1308000000e-03  7.0255000000e-03 -4.2029000000e-03  4.1330000000e-04  2.6808000000e-03 -1.1857000000e-03 -1.7854000000e-03  4.9900000000e-04  2.6630000000e-04  5.7601000000e-03  1.6770000000e-04  7.5100000000e-04 -6.9910000000e-04 -5.5400000000e-04 -6.0432000000e-03
-
-JOB 13
-COORDS  3.0072500000e-01  8.0326400000e-01  1.0085440000e+00  8.8621300000e-01  1.0082910000e+00  1.7375160000e+00 -5.5136300000e-01  1.1427120000e+00  1.2823200000e+00 -3.4567000000e-01 -8.6204800000e-01 -1.0696490000e+00 -3.2746000000e-02 -4.7020700000e-01 -2.5431400000e-01  3.6344500000e-01 -7.1313100000e-01 -1.6951180000e+00
-ENERGY -1.526606426546e+02
-FORCES -1.9411000000e-03 -9.7110000000e-04 -4.7590000000e-04 -3.6587000000e-03  2.9720000000e-04 -3.2358000000e-03  5.1401000000e-03 -2.0958000000e-03 -3.6830000000e-04  6.5591000000e-03  8.1245000000e-03  8.0759000000e-03 -4.4228000000e-03 -4.7279000000e-03 -5.7514000000e-03 -1.6766000000e-03 -6.2690000000e-04  1.7556000000e-03
-
-JOB 14
-COORDS -3.4724400000e-01 -1.0006360000e+00 -7.7605900000e-01 -8.9150600000e-01 -9.0289400000e-01 -1.5573770000e+00 -6.1587000000e-02 -1.9140150000e+00 -7.9529900000e-01  3.8023400000e-01  1.0401220000e+00  8.8220300000e-01  4.6437700000e-01  1.8211580000e+00  3.3527200000e-01 -5.8188000000e-02  4.0037600000e-01  3.2118300000e-01
-ENERGY -1.526595278985e+02
-FORCES  2.7000000000e-03  5.0120000000e-04  2.6240000000e-03  3.1907000000e-03 -4.9940000000e-04  3.7231000000e-03 -2.5880000000e-03  3.8112000000e-03 -2.0351000000e-03 -2.7195000000e-03 -8.7476000000e-03 -9.4407000000e-03 -9.1370000000e-04 -2.7059000000e-03  7.3660000000e-04  3.3050000000e-04  7.6405000000e-03  4.3920000000e-03
-
-JOB 15
-COORDS -1.0071290000e+00 -7.6391900000e-01 -4.4816900000e-01 -8.4168600000e-01 -1.4155810000e+00 -1.1294890000e+00 -1.5751630000e+00 -1.2113570000e+00  1.7902100000e-01  1.0186100000e+00  8.9521300000e-01  4.3917600000e-01  1.8558690000e+00  4.7472100000e-01  6.3517900000e-01  3.8103500000e-01  1.8155300000e-01  4.5963900000e-01
-ENERGY -1.526587200213e+02
-FORCES  7.9480000000e-04 -1.5336000000e-03 -3.1152000000e-03 -1.6296000000e-03  2.4042000000e-03  4.0235000000e-03  4.7786000000e-03  2.5702000000e-03 -2.4215000000e-03 -7.0763000000e-03 -8.2769000000e-03 -3.4660000000e-03 -3.3982000000e-03  1.7920000000e-04 -1.2594000000e-03  6.5307000000e-03  4.6569000000e-03  6.2386000000e-03
-
-JOB 16
-COORDS -3.5020100000e-01  7.0463000000e-01  1.2184690000e+00 -1.6181600000e-01  4.6012700000e-01  3.1240000000e-01  3.7375100000e-01  3.3333000000e-01  1.7227140000e+00  2.7102600000e-01 -6.2445700000e-01 -1.1591500000e+00  5.2983200000e-01 -6.0716000000e-01 -2.0805360000e+00  5.4745400000e-01 -1.4865700000e+00 -8.4837400000e-01
-ENERGY -1.526600060512e+02
-FORCES  4.8125000000e-03 -4.8665000000e-03 -9.5416000000e-03 -1.8367000000e-03  3.0305000000e-03  7.8721000000e-03 -2.2217000000e-03  9.9900000000e-05 -1.4553000000e-03  3.9600000000e-04 -1.1298000000e-03  5.8390000000e-04 -8.2260000000e-04 -1.7230000000e-03  4.4564000000e-03 -3.2750000000e-04  4.5888000000e-03 -1.9156000000e-03
-
-JOB 17
-COORDS -9.9637000000e-02  1.3212710000e+00 -1.3180100000e-01 -5.9486200000e-01  2.1142050000e+00  7.3727000000e-02  6.6145900000e-01  1.6337150000e+00 -6.2102800000e-01  1.2387600000e-01 -1.4286190000e+00  1.9463400000e-01 -4.7965800000e-01 -1.7189720000e+00 -4.8923300000e-01  7.4774000000e-02 -4.7304500000e-01  1.6816100000e-01
-ENERGY -1.526608330482e+02
-FORCES -1.6340000000e-04 -3.9050000000e-04  9.9570000000e-04  3.4380000000e-03 -2.4351000000e-03 -2.4567000000e-03 -4.4029000000e-03 -1.3172000000e-03  2.6712000000e-03 -4.1430000000e-03  1.1433000000e-02 -2.4828000000e-03  1.7233000000e-03  6.3070000000e-04  1.7314000000e-03  3.5480000000e-03 -7.9208000000e-03 -4.5880000000e-04
-
-JOB 18
-COORDS -2.9240700000e-01 -9.7801400000e-01  9.8756900000e-01  3.5692300000e-01 -1.4751950000e+00  1.4849740000e+00  2.2080100000e-01 -4.8988600000e-01  3.4368900000e-01  2.5674700000e-01  9.5616800000e-01 -9.3536800000e-01 -1.9590000000e-02  5.2250900000e-01 -1.7427150000e+00 -1.4602600000e-01  1.8234160000e+00 -9.7881100000e-01
-ENERGY -1.526598610702e+02
-FORCES  3.7552000000e-03  7.0585000000e-03 -5.1628000000e-03 -1.2761000000e-03  2.7338000000e-03 -2.7241000000e-03 -6.3310000000e-04 -9.3630000000e-03  4.0057000000e-03 -5.4079000000e-03  1.5484000000e-03  1.2076000000e-03  1.6238000000e-03  1.5711000000e-03  4.6403000000e-03  1.9381000000e-03 -3.5487000000e-03 -1.9667000000e-03
-
-JOB 19
-COORDS -1.0633940000e+00  4.0300700000e-01  8.0948400000e-01 -1.3404340000e+00  5.7984300000e-01  1.7084890000e+00 -1.0864500000e-01  3.5444000000e-01  8.5773400000e-01  1.0680480000e+00 -3.9424800000e-01 -8.1471000000e-01  9.2255100000e-01 -1.2595370000e+00 -1.1972500000e+00  4.4592100000e-01  1.7569300000e-01 -1.2667680000e+00
-ENERGY -1.526595083562e+02
-FORCES  6.2420000000e-03 -2.1565000000e-03  4.0160000000e-04  2.6081000000e-03 -1.5427000000e-03 -3.1771000000e-03 -7.0311000000e-03  4.5607000000e-03  1.8798000000e-03 -7.2392000000e-03 -2.3160000000e-03 -2.8030000000e-03  1.1049000000e-03  3.6024000000e-03  6.3850000000e-04  4.3153000000e-03 -2.1478000000e-03  3.0602000000e-03
-
-JOB 20
-COORDS -1.2389100000e-01  5.5870200000e-01  1.3445590000e+00 -3.4887900000e-01  3.6375700000e-01  4.3482900000e-01  1.5765900000e-01 -2.8112400000e-01  1.7074020000e+00  1.0302800000e-01 -4.3171200000e-01 -1.2738100000e+00 -2.4095600000e-01 -1.3106330000e+00 -1.1144240000e+00  7.2335700000e-01 -5.4375500000e-01 -1.9941370000e+00
-ENERGY -1.526574061606e+02
-FORCES  3.4324000000e-03 -5.1259000000e-03 -1.0455700000e-02 -3.9960000000e-03 -2.2900000000e-04  6.9767000000e-03 -1.4161000000e-03  1.8817000000e-03 -8.1620000000e-04  3.3816000000e-03 -3.3900000000e-04  3.1200000000e-05  1.8775000000e-03  5.1975000000e-03  1.2678000000e-03 -3.2794000000e-03 -1.3852000000e-03  2.9963000000e-03
-
-JOB 21
-COORDS -8.5331600000e-01 -7.2018600000e-01  8.4831200000e-01 -9.4445400000e-01 -5.1807100000e-01 -8.2857000000e-02 -1.7236440000e+00 -5.6279000000e-01  1.2143550000e+00  8.5743100000e-01  7.0744700000e-01 -8.6391200000e-01  1.6871090000e+00  2.4369700000e-01 -9.7706000000e-01  8.8849900000e-01  1.0394600000e+00  3.3325000000e-02
-ENERGY -1.526591138820e+02
-FORCES -1.2570000000e-04  1.6554000000e-03 -6.7350000000e-03 -3.6641000000e-03 -2.6031000000e-03  6.2960000000e-03  3.9301000000e-03  7.6610000000e-04 -2.2477000000e-03  2.3194000000e-03 -2.3598000000e-03  7.5889000000e-03 -3.2898000000e-03  1.9031000000e-03  4.7530000000e-04  8.3010000000e-04  6.3830000000e-04 -5.3775000000e-03
-
-JOB 22
-COORDS  8.5736600000e-01 -1.1106970000e+00 -2.5054000000e-02  1.4760730000e+00 -1.0173300000e+00 -7.4942700000e-01  1.7710400000e-01 -1.6926040000e+00 -3.6396500000e-01 -8.6418200000e-01  1.1941230000e+00  4.7435000000e-02 -2.3970000000e-02  8.2977800000e-01  3.2587300000e-01 -1.5159130000e+00  5.7982200000e-01  3.8524300000e-01
-ENERGY -1.526578636792e+02
-FORCES -3.3458000000e-03 -3.0410000000e-04 -6.2964000000e-03 -2.8868000000e-03 -5.4500000000e-05  3.5989000000e-03  2.9327000000e-03  2.1585000000e-03  2.0764000000e-03  5.7043000000e-03 -1.0617300000e-02  2.6303000000e-03 -3.1233000000e-03  7.0226000000e-03 -2.2950000000e-04  7.1880000000e-04  1.7948000000e-03 -1.7797000000e-03
-
-JOB 23
-COORDS -1.1167980000e+00  5.1954600000e-01  6.1003200000e-01 -1.7929610000e+00  1.1054750000e+00  2.6985100000e-01 -8.6652400000e-01  9.0405100000e-01  1.4501220000e+00  1.1788810000e+00 -5.7535200000e-01 -7.0797600000e-01  1.2259790000e+00 -1.2714220000e+00 -5.2612000000e-02  5.9704300000e-01  7.9139000000e-02 -3.2153400000e-01
-ENERGY -1.526594878274e+02
-FORCES -3.0095000000e-03  2.2546000000e-03  5.0140000000e-04  3.5468000000e-03 -2.5211000000e-03  2.4886000000e-03  5.7700000000e-05 -2.2518000000e-03 -5.2164000000e-03 -1.0153600000e-02  1.7474000000e-03  6.5615000000e-03  9.8680000000e-04  1.9105000000e-03 -1.6888000000e-03  8.5717000000e-03 -1.1396000000e-03 -2.6462000000e-03
-
-JOB 24
-COORDS -2.0857600000e-01 -5.2077100000e-01  1.2635430000e+00 -1.4702000000e-01  1.3692500000e-01  1.9562760000e+00 -7.6052200000e-01 -1.2091890000e+00  1.6345810000e+00  2.9565700000e-01  5.4729400000e-01 -1.3300180000e+00 -4.1328500000e-01  5.7048800000e-01 -1.9727430000e+00 -8.3459000000e-02  1.0517900000e-01 -5.7038800000e-01
-ENERGY -1.526611956716e+02
-FORCES -2.3340000000e-04  1.0443000000e-03  3.1949000000e-03 -1.1206000000e-03 -4.1464000000e-03 -2.5484000000e-03  2.3551000000e-03  3.8194000000e-03 -1.2252000000e-03 -3.6414000000e-03 -4.2549000000e-03  7.2797000000e-03  1.6505000000e-03 -7.2670000000e-04  2.9304000000e-03  9.8980000000e-04  4.2644000000e-03 -9.6314000000e-03
-
-JOB 25
-COORDS  7.3858100000e-01  6.5477600000e-01  9.6194400000e-01  1.0543880000e+00  2.8423800000e-01  1.7860800000e+00  1.2598960000e+00  1.4482750000e+00  8.4020500000e-01 -8.4345800000e-01 -6.9702500000e-01 -9.9314800000e-01 -2.7016300000e-01 -8.2968700000e-01 -1.7481080000e+00 -2.9581600000e-01 -2.4282000000e-01 -3.5282200000e-01
-ENERGY -1.526615031665e+02
-FORCES  1.2082000000e-03  3.6010000000e-04  1.2738000000e-03 -5.1500000000e-04  3.0092000000e-03 -3.7532000000e-03 -1.6031000000e-03 -4.1567000000e-03  1.4709000000e-03  7.6275000000e-03  4.6750000000e-03  5.5215000000e-03 -1.3502000000e-03  8.3130000000e-04  2.2958000000e-03 -5.3675000000e-03 -4.7189000000e-03 -6.8088000000e-03
-
-JOB 26
-COORDS -2.0659700000e-01 -1.2707970000e+00  5.7031200000e-01  1.0918500000e-01 -2.1247040000e+00  8.6587100000e-01 -6.7024000000e-01 -1.4559190000e+00 -2.4638700000e-01  1.8159300000e-01  1.3381670000e+00 -5.9188200000e-01  5.8133200000e-01  2.0238690000e+00 -5.6855000000e-02  4.1157400000e-01  5.2224100000e-01 -1.4735400000e-01
-ENERGY -1.526607520348e+02
-FORCES -1.9833000000e-03 -4.0289000000e-03 -1.7860000000e-03 -2.2629000000e-03  3.5560000000e-03 -1.6892000000e-03  4.1319000000e-03  9.4170000000e-04  4.2794000000e-03  1.3705000000e-03 -5.0649000000e-03  6.7957000000e-03 -9.0620000000e-04 -2.5441000000e-03 -1.4072000000e-03 -3.5000000000e-04  7.1403000000e-03 -6.1927000000e-03
-
-JOB 27
-COORDS -3.6155500000e-01  1.2899980000e+00 -3.5618000000e-01  2.0638600000e-01  2.0534800000e+00 -4.5996400000e-01 -1.2491790000e+00  1.6376280000e+00 -4.4282700000e-01  3.4947600000e-01 -1.4199490000e+00  3.6270000000e-01  1.3986400000e-01 -6.1443700000e-01 -1.0999900000e-01  1.0913870000e+00 -1.1850150000e+00  9.2001900000e-01
-ENERGY -1.526605379446e+02
-FORCES -1.5045000000e-03  2.2382000000e-03  3.1340000000e-04 -3.1977000000e-03 -3.0833000000e-03  8.7170000000e-04  4.6928000000e-03 -3.4960000000e-04  1.0470000000e-04 -3.9540000000e-04  1.0808800000e-02 -7.2370000000e-04  2.0130000000e-03 -8.5456000000e-03  1.0315000000e-03 -1.6083000000e-03 -1.0684000000e-03 -1.5975000000e-03
-
-JOB 28
-COORDS -4.7442500000e-01  1.3807340000e+00 -4.4539300000e-01  4.4722900000e-01  1.1923810000e+00 -6.2233500000e-01 -8.3878100000e-01  5.4460300000e-01 -1.5494100000e-01  4.7513400000e-01 -1.3106860000e+00  3.8149500000e-01 -1.7350900000e-01 -1.9914870000e+00  5.6039100000e-01  5.4131400000e-01 -8.2091400000e-01  1.2012360000e+00
-ENERGY -1.526573724730e+02
-FORCES  4.6584000000e-03 -1.0318700000e-02 -9.8910000000e-04 -2.1412000000e-03  3.7016000000e-03  1.3039000000e-03 -2.6828000000e-03  4.9374000000e-03  1.7772000000e-03 -2.8620000000e-04 -1.6488000000e-03  4.2746000000e-03  2.0256000000e-03  4.7239000000e-03 -9.2930000000e-04 -1.5737000000e-03 -1.3953000000e-03 -5.4373000000e-03
-
-JOB 29
-COORDS  2.0187800000e-01 -1.4666480000e+00 -1.6740000000e-02 -2.2528400000e-01 -6.2947700000e-01  1.6467000000e-01 -5.0537300000e-01 -2.1104470000e+00  2.2637000000e-02 -9.1228000000e-02  1.4016490000e+00  3.1427000000e-02 -1.4671200000e-01  1.7342780000e+00 -8.6440300000e-01 -7.4392900000e-01  1.9070730000e+00  5.1594800000e-01
-ENERGY -1.526600300520e+02
-FORCES -2.7224000000e-03  7.4435000000e-03  1.0693000000e-03 -7.9060000000e-04 -1.0678100000e-02  5.4000000000e-05  1.7002000000e-03  3.5392000000e-03 -4.4300000000e-05 -1.5850000000e-04  4.1940000000e-03 -3.3048000000e-03 -6.0890000000e-04 -9.0280000000e-04  4.9133000000e-03  2.5803000000e-03 -3.5958000000e-03 -2.6876000000e-03
-
-JOB 30
-COORDS  1.3434920000e+00  6.2874600000e-01  5.0667000000e-02  1.6251510000e+00  1.2424780000e+00 -6.2773800000e-01  3.8863900000e-01  6.1934000000e-01 -1.5666000000e-02 -1.2654510000e+00 -6.0158600000e-01 -2.0183000000e-02 -2.1895270000e+00 -7.6040300000e-01 -2.1278000000e-01 -9.5653600000e-01 -1.4210760000e+00  3.6613200000e-01
-ENERGY -1.526609242581e+02
-FORCES -7.2964000000e-03 -1.4110000000e-04 -2.9486000000e-03 -1.5811000000e-03 -1.8818000000e-03  2.0345000000e-03  8.6412000000e-03  2.8802000000e-03  1.0064000000e-03 -7.0030000000e-04 -3.9940000000e-03  7.9570000000e-04  4.1045000000e-03 -5.4830000000e-04  9.0110000000e-04 -3.1679000000e-03  3.6851000000e-03 -1.7890000000e-03
-
-JOB 31
-COORDS  1.2298680000e+00 -5.0350700000e-01  4.6882500000e-01  1.6413010000e+00 -1.0954040000e+00  1.0985960000e+00  1.6223970000e+00 -7.3745700000e-01 -3.7225800000e-01 -1.3299960000e+00  5.7284500000e-01 -4.3281500000e-01 -6.1567900000e-01  7.0142000000e-02 -4.1315000000e-02 -1.0571640000e+00  7.1111500000e-01 -1.3398300000e+00
-ENERGY -1.526597306192e+02
-FORCES  3.2988000000e-03 -2.7882000000e-03  4.3500000000e-04 -9.8090000000e-04  2.7143000000e-03 -3.7809000000e-03 -3.2361000000e-03  1.2204000000e-03  3.8594000000e-03  9.0585000000e-03 -2.9599000000e-03  1.8047000000e-03 -7.8423000000e-03  2.7219000000e-03 -4.9057000000e-03 -2.9790000000e-04 -9.0850000000e-04  2.5876000000e-03
-
-JOB 32
-COORDS  7.5129200000e-01  9.3942600000e-01 -7.8454800000e-01  1.5958950000e+00  8.7062200000e-01 -3.3941600000e-01  4.8310300000e-01  1.8485630000e+00 -6.5121800000e-01 -8.4908000000e-01 -9.7733700000e-01  7.8612000000e-01 -3.4655600000e-01 -1.7842280000e+00  6.7374600000e-01 -3.3814400000e-01 -3.1053400000e-01  3.2726200000e-01
-ENERGY -1.526609495469e+02
-FORCES  2.8144000000e-03  5.0872000000e-03  3.6920000000e-04 -5.4985000000e-03 -6.9590000000e-04 -1.3817000000e-03  1.7439000000e-03 -4.9900000000e-03 -9.0500000000e-05  6.1599000000e-03  4.1129000000e-03 -7.2477000000e-03 -8.7690000000e-04  2.7697000000e-03  6.3120000000e-04 -4.3427000000e-03 -6.2839000000e-03  7.7195000000e-03
-
-JOB 33
-COORDS  1.2605500000e+00  3.2611200000e-01  6.4249200000e-01  1.5351780000e+00  1.0994470000e+00  1.1352030000e+00  7.5345200000e-01 -1.9007700000e-01  1.2690960000e+00 -1.2968050000e+00 -3.0384100000e-01 -7.1562800000e-01 -4.9592800000e-01 -8.3677000000e-02 -2.3986000000e-01 -1.1323680000e+00 -1.1772480000e+00 -1.0710890000e+00
-ENERGY -1.526581176736e+02
-FORCES  1.3766000000e-03  3.2220000000e-03  5.0441000000e-03 -9.5510000000e-04 -4.4621000000e-03 -1.6215000000e-03 -8.4970000000e-04  3.1438000000e-03 -7.7095000000e-03  8.7025000000e-03  8.4970000000e-04 -3.0150000000e-04 -7.8591000000e-03 -5.5563000000e-03  2.4679000000e-03 -4.1520000000e-04  2.8030000000e-03  2.1206000000e-03
-
-JOB 34
-COORDS -8.1953600000e-01 -1.2947660000e+00 -1.0791100000e-01 -9.0756000000e-02 -7.4223000000e-01 -3.9042700000e-01 -1.3849390000e+00 -7.0797300000e-01  3.9431000000e-01  7.5716800000e-01  1.2470820000e+00  1.2915900000e-01  1.6420200000e+00  1.1515600000e+00  4.8149900000e-01  8.5261800000e-01  1.0784900000e+00 -8.0823000000e-01
-ENERGY -1.526558934071e+02
-FORCES  2.8428000000e-03  1.0128000000e-02  4.4674000000e-03 -3.1930000000e-04 -3.4070000000e-03 -5.2376000000e-03 -3.1600000000e-04 -3.8552000000e-03 -1.8881000000e-03  4.6463000000e-03  9.4850000000e-04 -9.3380000000e-04 -4.5333000000e-03  4.9600000000e-05 -2.2789000000e-03 -2.3205000000e-03 -3.8640000000e-03  5.8710000000e-03
-
-JOB 35
-COORDS -4.7757300000e-01  5.3434800000e-01 -1.2262700000e+00 -7.1455400000e-01  1.4086880000e+00 -1.5354640000e+00 -1.0460650000e+00 -5.6942000000e-02 -1.7196510000e+00  5.7064100000e-01 -5.9406900000e-01  1.2863290000e+00  4.7627600000e-01 -7.2345000000e-02  4.8937800000e-01 -1.7159400000e-01 -3.3469000000e-01  1.8322610000e+00
-ENERGY -1.526608637789e+02
-FORCES -3.0401000000e-03 -7.2890000000e-04 -2.8320000000e-03  3.3230000000e-04 -4.3744000000e-03  1.3184000000e-03  1.9596000000e-03  4.0478000000e-03  1.5106000000e-03 -5.4429000000e-03  5.1967000000e-03 -6.4038000000e-03  3.9521000000e-03 -3.0654000000e-03  7.4175000000e-03  2.2390000000e-03 -1.0759000000e-03 -1.0106000000e-03
-
-JOB 36
-COORDS -1.3666430000e+00 -2.5461100000e-01 -4.8371100000e-01 -2.0567860000e+00  2.8812000000e-01 -8.6499300000e-01 -7.1836600000e-01 -3.4424400000e-01 -1.1822340000e+00  1.4244350000e+00  2.2600400000e-01  5.8538900000e-01  1.1910910000e+00  9.0085100000e-01 -5.2078000000e-02  6.9629900000e-01 -3.9459600000e-01  5.5528800000e-01
-ENERGY -1.526558331388e+02
-FORCES -1.9089000000e-03  2.2246000000e-03 -3.9603000000e-03  3.7126000000e-03 -2.2607000000e-03  9.8600000000e-04 -9.8010000000e-04  1.3272000000e-03  5.7615000000e-03 -9.0537000000e-03  1.3107000000e-03 -8.3410000000e-04  2.1958000000e-03 -2.5615000000e-03  2.2940000000e-04  6.0344000000e-03 -4.0300000000e-05 -2.1826000000e-03
-
-JOB 37
-COORDS  4.0528500000e-01 -1.2231330000e+00 -8.4620500000e-01  3.1449200000e-01 -8.9198400000e-01  4.7288000000e-02 -4.9439400000e-01 -1.3398800000e+00 -1.1514570000e+00 -4.0979300000e-01  1.1741900000e+00  8.0387900000e-01  2.3459700000e-01  1.2119610000e+00  1.5106790000e+00 -3.2894000000e-02  1.7107970000e+00  1.0657600000e-01
-ENERGY -1.526582778448e+02
-FORCES -6.9526000000e-03  5.0882000000e-03  5.2771000000e-03  4.1737000000e-03 -5.0419000000e-03 -2.7324000000e-03  3.4132000000e-03 -3.0360000000e-04 -1.9200000000e-04  3.9050000000e-03  4.4766000000e-03 -2.4279000000e-03 -2.5173000000e-03 -2.4186000000e-03 -4.0970000000e-03 -2.0221000000e-03 -1.8007000000e-03  4.1722000000e-03
-
-JOB 38
-COORDS -6.3839500000e-01  7.9111600000e-01  1.0636290000e+00 -8.1424000000e-01  1.2688670000e+00  1.8742240000e+00 -1.4067860000e+00  2.3336900000e-01  9.4227500000e-01  6.9957200000e-01 -8.4028600000e-01 -1.0723980000e+00  4.1074800000e-01  8.6410000000e-03 -7.3753200000e-01  8.0628300000e-01 -7.0326800000e-01 -2.0137120000e+00
-ENERGY -1.526595539715e+02
-FORCES -3.0800000000e-03 -8.3140000000e-04  4.4843000000e-03 -3.1580000000e-04 -2.6004000000e-03 -3.0738000000e-03  3.3890000000e-03  3.8092000000e-03  2.3530000000e-04 -3.0180000000e-04  5.5689000000e-03  9.2330000000e-04  1.0607000000e-03 -5.9525000000e-03 -6.3160000000e-03 -7.5210000000e-04  6.1000000000e-06  3.7469000000e-03
-
-JOB 39
-COORDS -2.5403100000e-01 -1.3836170000e+00  4.9006800000e-01  5.3331500000e-01 -1.4155450000e+00  1.0334830000e+00 -9.5820200000e-01 -1.6722420000e+00  1.0706460000e+00  3.1615300000e-01  1.4164790000e+00 -5.4351000000e-01 -3.5974700000e-01  1.9424130000e+00 -9.7104400000e-01 -1.3502300000e-01  6.1471400000e-01 -2.7922700000e-01
-ENERGY -1.526612455936e+02
-FORCES  1.5535000000e-03 -3.5999000000e-03  5.3517000000e-03 -4.6831000000e-03  1.7030000000e-04 -2.3635000000e-03  3.4222000000e-03  1.5405000000e-03 -2.5836000000e-03 -4.5106000000e-03 -5.6744000000e-03  3.5490000000e-04  1.7048000000e-03 -2.2733000000e-03  1.7392000000e-03  2.5132000000e-03  9.8368000000e-03 -2.4987000000e-03
-
-JOB 40
-COORDS -7.3078800000e-01 -1.0458240000e+00 -7.6719800000e-01 -1.2234240000e+00 -1.3990870000e+00 -2.6423000000e-02 -1.3837950000e+00 -9.3347100000e-01 -1.4579880000e+00  8.5002700000e-01  1.0735030000e+00  8.1040300000e-01  7.4633700000e-01  2.8718000000e-01  2.7451400000e-01  7.4070000000e-02  1.5996220000e+00  6.1722100000e-01
-ENERGY -1.526598064015e+02
-FORCES -5.2387000000e-03 -1.5570000000e-03 -7.1160000000e-04  2.3663000000e-03  2.2895000000e-03 -3.7297000000e-03  2.2297000000e-03 -5.9820000000e-04  3.7360000000e-03 -5.7750000000e-03 -3.8198000000e-03 -6.5080000000e-03  3.9973000000e-03  4.0388000000e-03  5.5053000000e-03  2.4205000000e-03 -3.5330000000e-04  1.7079000000e-03
-
-JOB 41
-COORDS -1.3562370000e+00  5.7146600000e-01 -1.4911500000e-01 -2.1133680000e+00  3.6959100000e-01  4.0064100000e-01 -1.5394690000e+00  1.4433160000e+00 -4.9916400000e-01  1.4671590000e+00 -6.4171000000e-01  1.6938300000e-01  9.7780900000e-01  1.3319000000e-01  4.4560400000e-01  1.0430510000e+00 -9.1616300000e-01 -6.4366000000e-01
-ENERGY -1.526589923772e+02
-FORCES -5.5205000000e-03  1.5665000000e-03  1.0310000000e-03  3.1827000000e-03  1.5814000000e-03 -2.8106000000e-03  1.4638000000e-03 -4.0898000000e-03  1.9692000000e-03 -9.0772000000e-03  3.2302000000e-03 -2.6893000000e-03  6.1449000000e-03 -1.6477000000e-03  7.9880000000e-04  3.8064000000e-03 -6.4060000000e-04  1.7008000000e-03
-
-JOB 42
-COORDS -4.8943000000e-02 -1.1111560000e+00  1.0648890000e+00  6.7819800000e-01 -1.5822820000e+00  1.4717530000e+00 -7.9679000000e-02 -1.4452130000e+00  1.6840000000e-01  3.9010000000e-02  1.2175330000e+00 -1.0132180000e+00 -7.4958000000e-01  7.7800400000e-01 -6.9514100000e-01  3.7521000000e-01  6.4063800000e-01 -1.6990700000e+00
-ENERGY -1.526522116919e+02
-FORCES  5.1682000000e-03 -1.4984000000e-03 -1.8887000000e-03 -3.1175000000e-03  1.5919000000e-03 -1.8962000000e-03 -1.5247000000e-03  2.3018000000e-03  2.4584000000e-03 -1.7348000000e-03 -4.6324000000e-03  2.2200000000e-03  2.6097000000e-03  1.0809000000e-03 -4.1081000000e-03 -1.4008000000e-03  1.1562000000e-03  3.2146000000e-03
-
-JOB 43
-COORDS -1.2681150000e+00 -1.2260900000e-01  7.9030300000e-01 -1.2954510000e+00 -4.5036500000e-01  1.6892250000e+00 -1.9269200000e+00  5.7143800000e-01  7.6778000000e-01  1.3177030000e+00  1.7685600000e-01 -8.3360600000e-01  5.0314000000e-01 -3.2552600000e-01 -8.1539300000e-01  1.9996210000e+00 -4.7711600000e-01 -9.8703300000e-01
-ENERGY -1.526576944948e+02
-FORCES -1.4192000000e-03  2.9447000000e-03  4.6246000000e-03 -6.0900000000e-04  1.3224000000e-03 -3.6651000000e-03  2.4052000000e-03 -3.3035000000e-03  4.5640000000e-04 -4.1558000000e-03 -4.0868000000e-03  1.7914000000e-03  6.5406000000e-03  1.0033000000e-03 -4.4128000000e-03 -2.7618000000e-03  2.1199000000e-03  1.2055000000e-03
-
-JOB 44
-COORDS  4.2524800000e-01 -1.4228930000e+00  1.1880400000e-01 -1.0804000000e-02 -2.1325410000e+00  5.9049300000e-01  1.1582170000e+00 -1.8464920000e+00 -3.2790800000e-01 -4.6036100000e-01  1.5245440000e+00 -6.5631000000e-02 -1.6525900000e-01  6.1759700000e-01 -1.4683200000e-01 -4.7134000000e-01  1.8546910000e+00 -9.6402600000e-01
-ENERGY -1.526610235645e+02
-FORCES  8.9000000000e-04 -5.3406000000e-03  1.4420000000e-03  2.9431000000e-03  2.1496000000e-03 -2.5659000000e-03 -3.6302000000e-03  1.3728000000e-03  1.9815000000e-03  1.9987000000e-03 -6.3896000000e-03 -2.3816000000e-03 -2.5734000000e-03  9.6031000000e-03 -1.2790000000e-03  3.7180000000e-04 -1.3953000000e-03  2.8030000000e-03
-
-JOB 45
-COORDS -2.4092800000e-01  4.2187200000e-01  1.4810470000e+00  1.9517900000e-01  6.2552200000e-01  2.3084340000e+00 -1.9505400000e-01 -5.3187300000e-01  1.4139780000e+00  2.6005300000e-01 -3.8071800000e-01 -1.4765070000e+00  2.0972000000e-01 -9.7858000000e-01 -2.2223350000e+00 -5.0249700000e-01  1.8955300000e-01 -1.5741780000e+00
-ENERGY -1.526556784947e+02
-FORCES  3.4548000000e-03 -4.1843000000e-03  9.6140000000e-04 -1.5541000000e-03 -9.7230000000e-04 -3.3242000000e-03 -1.5852000000e-03  3.8994000000e-03  2.9732000000e-03 -3.6504000000e-03  2.6121000000e-03 -3.0630000000e-03  2.8030000000e-04  2.2532000000e-03  3.8426000000e-03  3.0546000000e-03 -3.6081000000e-03 -1.3900000000e-03
-
-JOB 46
-COORDS  4.0365600000e-01  1.2696420000e+00 -8.1879500000e-01  3.5395000000e-02  2.0536360000e+00 -1.2261880000e+00  7.7511000000e-02  5.4567200000e-01 -1.3533310000e+00 -3.6566500000e-01 -1.2484090000e+00  9.4163300000e-01  3.8425200000e-01 -1.5495850000e+00  4.2865200000e-01 -1.1084110000e+00 -1.3124870000e+00  3.4125400000e-01
-ENERGY -1.526510476661e+02
-FORCES -3.3280000000e-03 -2.0720000000e-04 -2.4116000000e-03  1.2318000000e-03 -3.6125000000e-03  2.1635000000e-03  1.5702000000e-03  1.7544000000e-03  1.7026000000e-03  1.1049000000e-03  1.1809000000e-03 -3.9771000000e-03 -3.8762000000e-03  6.3530000000e-04  1.1398000000e-03  3.2972000000e-03  2.4910000000e-04  1.3828000000e-03
-
-JOB 47
-COORDS -4.1602000000e-02  1.5989850000e+00  4.1794700000e-01 -5.9075000000e-02  7.3943300000e-01 -2.8830000000e-03 -6.9896900000e-01  1.5401730000e+00  1.1112310000e+00  1.2083500000e-01 -1.4942060000e+00 -4.4904300000e-01 -4.9300200000e-01 -1.9999240000e+00 -9.8166400000e-01  4.1585000000e-02 -1.8680640000e+00  4.2855700000e-01
-ENERGY -1.526598865909e+02
-FORCES -1.8978000000e-03 -6.6177000000e-03 -1.0420000000e-03 -8.5320000000e-04  8.7378000000e-03  3.8233000000e-03  2.3100000000e-03 -1.0050000000e-04 -2.0422000000e-03 -1.7474000000e-03 -6.7934000000e-03  4.0910000000e-04  2.7593000000e-03  2.1615000000e-03  3.0663000000e-03 -5.7100000000e-04  2.6122000000e-03 -4.2145000000e-03
-
-JOB 48
-COORDS  5.0550100000e-01  1.3148670000e+00 -6.8066000000e-01  4.5109900000e-01  2.2704790000e+00 -6.7185700000e-01  1.4402910000e+00  1.1269230000e+00 -5.9654200000e-01 -5.9814200000e-01 -1.4044380000e+00  6.6111800000e-01 -3.4057000000e-01 -6.8675200000e-01  8.2486000000e-02 -5.6825000000e-02 -1.2891370000e+00  1.4420870000e+00
-ENERGY -1.526592773583e+02
-FORCES  2.7655000000e-03  5.9670000000e-03 -5.3070000000e-04  1.5266000000e-03 -4.0099000000e-03 -2.4830000000e-04 -4.9142000000e-03  1.1810000000e-04  5.3370000000e-04  2.6611000000e-03  6.7924000000e-03 -4.8830000000e-04 -6.4430000000e-04 -7.9197000000e-03  3.2425000000e-03 -1.3947000000e-03 -9.4790000000e-04 -2.5088000000e-03
-
-JOB 49
-COORDS -3.1680000000e-02 -1.3874890000e+00 -9.2315500000e-01  2.0226900000e-01 -1.9900070000e+00 -2.1713000000e-01 -3.3696600000e-01 -5.9900100000e-01 -4.7446900000e-01  6.1876000000e-02  1.3123210000e+00  8.5881800000e-01 -6.0739600000e-01  1.7321720000e+00  1.3992180000e+00  2.8199200000e-01  1.9678990000e+00  1.9700500000e-01
-ENERGY -1.526598580093e+02
-FORCES  5.2910000000e-04  3.5669000000e-03  7.1705000000e-03 -9.9660000000e-04  1.1519000000e-03 -2.7762000000e-03 -5.3040000000e-04 -6.1613000000e-03 -5.7774000000e-03 -1.5260000000e-04  6.8349000000e-03  1.0089000000e-03  3.0811000000e-03 -2.0303000000e-03 -2.7583000000e-03 -1.9307000000e-03 -3.3621000000e-03  3.1326000000e-03
-
-JOB 50
-COORDS -1.6231900000e-01  7.1726700000e-01  1.4113420000e+00  1.9751300000e-01  6.5510000000e-02  2.0129780000e+00  2.0608600000e-01  1.5487440000e+00  1.7099310000e+00  8.8503000000e-02 -7.4212800000e-01 -1.5206190000e+00  3.3816900000e-01  1.3985400000e-01 -1.2449260000e+00  3.9400900000e-01 -1.3101490000e+00 -8.1333500000e-01
-ENERGY -1.526559845381e+02
-FORCES  1.5177000000e-03  9.1090000000e-04  5.6406000000e-03 -1.1298000000e-03  2.5052000000e-03 -3.5364000000e-03 -1.4033000000e-03 -3.8900000000e-03 -2.1170000000e-03  7.0410000000e-04  3.3923000000e-03  7.7086000000e-03  6.6010000000e-04 -3.0730000000e-03 -4.6064000000e-03 -3.4880000000e-04  1.5460000000e-04 -3.0894000000e-03
-
-JOB 51
-COORDS  2.9759600000e-01  8.4758800000e-01  1.4579590000e+00 -3.3826200000e-01  7.1205200000e-01  7.5543100000e-01  8.9349800000e-01  1.0163400000e-01  1.3895080000e+00 -3.0894500000e-01 -7.6710000000e-01 -1.3471400000e+00 -8.8390800000e-01 -7.8897500000e-01 -2.1121050000e+00  4.9980300000e-01 -1.1851530000e+00 -1.6427610000e+00
-ENERGY -1.526583807685e+02
-FORCES -1.1125000000e-03 -5.2893000000e-03 -6.1666000000e-03  1.4262000000e-03  3.2694000000e-03  5.7042000000e-03 -6.3320000000e-04  2.7181000000e-03  1.3852000000e-03  1.1737000000e-03 -2.2867000000e-03 -5.6305000000e-03  2.7415000000e-03  3.0800000000e-05  3.2195000000e-03 -3.5957000000e-03  1.5577000000e-03  1.4882000000e-03
-
-JOB 52
-COORDS  5.4581400000e-01  8.4638400000e-01  1.3359270000e+00 -3.3476400000e-01  9.7839900000e-01  1.6871910000e+00  5.6170500000e-01  1.3604060000e+00  5.2861000000e-01 -5.4957000000e-01 -8.9364900000e-01 -1.2958210000e+00 -1.3793800000e-01 -6.8710400000e-01 -2.1349450000e+00  1.7988300000e-01 -9.5332100000e-01 -6.7891900000e-01
-ENERGY -1.526575639347e+02
-FORCES -5.6352000000e-03  3.8877000000e-03 -1.4262000000e-03  4.2030000000e-03 -1.5530000000e-04 -7.6010000000e-04  1.3449000000e-03 -2.8381000000e-03  3.1887000000e-03  4.9559000000e-03 -8.3800000000e-04  8.2630000000e-04 -1.4533000000e-03  1.0370000000e-04  3.8101000000e-03 -3.4154000000e-03 -1.6000000000e-04 -5.6388000000e-03
-
-JOB 53
-COORDS  9.5429900000e-01  5.2020100000e-01 -1.2409490000e+00  1.4376560000e+00  1.3226360000e+00 -1.4376630000e+00  1.6109070000e+00 -7.1535000000e-02 -8.7360000000e-01 -1.0775160000e+00 -5.6647200000e-01  1.2522510000e+00 -9.8598400000e-01 -1.1907900000e-01  4.1100600000e-01 -2.3877700000e-01 -4.2564300000e-01  1.6914720000e+00
-ENERGY -1.526580919920e+02
-FORCES  6.1633000000e-03  1.2109000000e-03 -1.4533000000e-03 -1.7989000000e-03 -3.8287000000e-03  1.0920000000e-03 -3.3000000000e-03  3.1933000000e-03 -6.6580000000e-04  4.4097000000e-03  3.9188000000e-03 -3.7633000000e-03 -2.9043000000e-03 -3.1567000000e-03  5.6460000000e-03 -2.5698000000e-03 -1.3376000000e-03 -8.5560000000e-04
-
-JOB 54
-COORDS  1.1235580000e+00  4.6320500000e-01 -1.1806500000e+00  1.2203470000e+00  9.2271000000e-02 -3.0356900000e-01  1.5717050000e+00 -1.5795900000e-01 -1.7547160000e+00 -1.1569330000e+00 -4.5614500000e-01  1.2088200000e+00 -8.7096100000e-01  4.5146200000e-01  1.3122740000e+00 -1.4181010000e+00 -5.2225900000e-01  2.9031400000e-01
-ENERGY -1.526575066636e+02
-FORCES  3.4581000000e-03 -4.6847000000e-03  1.3666000000e-03 -4.6680000000e-04  3.2167000000e-03 -4.4518000000e-03 -2.0416000000e-03  2.4586000000e-03  2.3543000000e-03 -2.1835000000e-03  4.4410000000e-03 -4.3340000000e-03  3.6650000000e-04 -4.5729000000e-03  1.8040000000e-04  8.6720000000e-04 -8.5860000000e-04  4.8845000000e-03
-
-JOB 55
-COORDS  8.3410000000e-03 -1.2609080000e+00 -1.1702690000e+00  4.6106300000e-01 -2.0726920000e+00 -9.4161800000e-01 -2.1358800000e-01 -8.6440300000e-01 -3.2779500000e-01 -5.8201000000e-02  1.2318450000e+00  1.1038520000e+00  7.5184600000e-01  1.4635750000e+00  1.5581180000e+00 -3.1605300000e-01  2.0336100000e+00  6.4897200000e-01
-ENERGY -1.526589424262e+02
-FORCES  6.0090000000e-04  6.3880000000e-04  5.8363000000e-03 -1.3907000000e-03  3.0053000000e-03 -6.7800000000e-04  2.8810000000e-04 -5.7557000000e-03 -5.8760000000e-03  2.8392000000e-03  6.0797000000e-03 -1.8130000000e-04 -3.5810000000e-03 -8.0430000000e-04 -1.7259000000e-03  1.2436000000e-03 -3.1638000000e-03  2.6250000000e-03
-
-JOB 56
-COORDS  1.0592910000e+00 -4.4117600000e-01  1.2542320000e+00  9.8801600000e-01  5.0127800000e-01  1.1028000000e+00  1.9639920000e+00 -6.5338900000e-01  1.0246380000e+00 -1.1674850000e+00  3.7848300000e-01 -1.2552450000e+00 -4.4034800000e-01 -2.2300300000e-01 -1.0948770000e+00 -8.3479000000e-01  1.2345110000e+00 -9.8550200000e-01
-ENERGY -1.526548927330e+02
-FORCES  4.2074000000e-03  3.0835000000e-03  1.6848000000e-03 -5.4800000000e-05 -4.2349000000e-03 -1.2359000000e-03 -4.6732000000e-03  1.0208000000e-03  1.7760000000e-04  4.4754000000e-03 -8.0050000000e-04  3.1639000000e-03 -3.3009000000e-03  3.9252000000e-03 -3.3357000000e-03 -6.5380000000e-04 -2.9940000000e-03 -4.5470000000e-04
-
-JOB 57
-COORDS -8.7393900000e-01 -8.6656900000e-01  1.3026710000e+00  5.0675000000e-02 -7.3404300000e-01  1.0934860000e+00 -1.3198730000e+00 -1.1993900000e-01  9.0277200000e-01  8.4230100000e-01  7.5370600000e-01 -1.2894980000e+00  1.5032100000e-01  1.3786720000e+00 -1.0731330000e+00  1.6551260000e+00  1.2130510000e+00 -1.0784260000e+00
-ENERGY -1.526553429898e+02
-FORCES  3.3404000000e-03  3.1810000000e-03 -5.0043000000e-03 -3.9900000000e-03 -8.7700000000e-04  3.7931000000e-03  8.6090000000e-04 -1.7524000000e-03  1.9414000000e-03  1.1856000000e-03  5.7014000000e-03 -9.8160000000e-04  2.4983000000e-03 -3.7229000000e-03  5.5490000000e-04 -3.8952000000e-03 -2.5301000000e-03 -3.0350000000e-04
-
-JOB 58
-COORDS -4.8095200000e-01 -1.0033710000e+00  1.2894040000e+00  2.8812400000e-01 -6.5531900000e-01  1.7406400000e+00 -1.1445380000e+00 -1.0851300000e+00  1.9743870000e+00  5.2499800000e-01  1.0370650000e+00 -1.3226440000e+00  1.0087300000e-01  9.5409500000e-01 -2.1767320000e+00  1.5485700000e-01  3.2515000000e-01 -8.0072000000e-01
-ENERGY -1.526590246033e+02
-FORCES -7.4850000000e-04  2.9270000000e-04  6.8643000000e-03 -3.7781000000e-03 -1.4547000000e-03 -2.7420000000e-03  3.2654000000e-03  1.2700000000e-05 -2.3348000000e-03 -4.2958000000e-03 -4.3214000000e-03 -1.9160000000e-04  1.5010000000e-03  4.4010000000e-04  2.9804000000e-03  4.0561000000e-03  5.0305000000e-03 -4.5762000000e-03
-
-JOB 59
-COORDS -1.5178900000e+00 -3.7740300000e-01 -8.1278500000e-01 -1.5559480000e+00  4.7790700000e-01 -1.2408370000e+00 -1.7061120000e+00 -1.9374400000e-01  1.0758100000e-01  1.5622740000e+00  3.6192200000e-01  8.0674600000e-01  1.0622260000e+00  3.5021300000e-01 -9.3700000000e-03  1.3955630000e+00 -4.9347700000e-01  1.2026400000e+00
-ENERGY -1.526571620181e+02
-FORCES -4.3023000000e-03  4.1698000000e-03  1.7824000000e-03  1.5128000000e-03 -3.9729000000e-03  2.1163000000e-03  1.7745000000e-03 -1.2484000000e-03 -4.3806000000e-03 -2.9089000000e-03 -5.1372000000e-03 -3.2194000000e-03  3.2700000000e-03  2.4657000000e-03  4.1724000000e-03  6.5390000000e-04  3.7229000000e-03 -4.7110000000e-04
-
-JOB 60
-COORDS -4.6461900000e-01 -6.6630700000e-01  1.5124730000e+00 -1.9078600000e-01  1.9757000000e-02  2.1212120000e+00 -1.3070710000e+00 -9.6711300000e-01  1.8530910000e+00  5.3603600000e-01  6.2476000000e-01 -1.5214960000e+00 -4.1734000000e-01  5.5203600000e-01 -1.5664160000e+00  7.7561500000e-01  1.1247160000e+00 -2.3018020000e+00
-ENERGY -1.526537681009e+02
-FORCES -7.7870000000e-04  1.9621000000e-03  4.5350000000e-03 -1.6959000000e-03 -3.1690000000e-03 -1.9721000000e-03  3.3535000000e-03  1.4150000000e-03 -2.1973000000e-03 -3.8974000000e-03  5.5000000000e-04 -2.4159000000e-03  3.8614000000e-03  1.3072000000e-03 -1.5289000000e-03 -8.4290000000e-04 -2.0652000000e-03  3.5794000000e-03
-
-JOB 61
-COORDS -9.2819500000e-01  1.6198080000e+00 -7.4650000000e-03 -5.8214100000e-01  7.2995100000e-01  6.0605000000e-02 -1.8524990000e+00  1.5017560000e+00 -2.2645500000e-01  9.9253800000e-01 -1.5475610000e+00  7.2761000000e-02  8.7870500000e-01 -1.0526010000e+00 -7.3858900000e-01  5.2350900000e-01 -2.3680820000e+00 -7.8861000000e-02
-ENERGY -1.526556295994e+02
-FORCES -2.2203000000e-03 -4.3651000000e-03  1.3753000000e-03 -1.9912000000e-03  5.0548000000e-03 -3.4558000000e-03  3.8370000000e-03  3.1580000000e-04  5.9650000000e-04  2.7330000000e-04 -4.0032000000e-03 -4.5203000000e-03 -1.7539000000e-03 -1.0617000000e-03  5.3705000000e-03  1.8552000000e-03  4.0594000000e-03  6.3380000000e-04
-
-JOB 62
-COORDS  1.5783990000e+00 -8.1045600000e-01 -5.9004800000e-01  1.7543300000e+00  8.5605000000e-02 -3.0307200000e-01  1.2056670000e+00 -7.1300500000e-01 -1.4662930000e+00 -1.5219030000e+00  8.1209100000e-01  6.4221600000e-01 -1.8438230000e+00  7.9283000000e-02  1.1671850000e+00 -1.9466770000e+00  7.0268300000e-01 -2.0856600000e-01
-ENERGY -1.526548058547e+02
-FORCES -2.0408000000e-03  5.4006000000e-03 -1.2262000000e-03  9.2050000000e-04 -4.0140000000e-03 -1.9193000000e-03  1.3656000000e-03 -8.0000000000e-04  2.9597000000e-03 -2.7296000000e-03 -4.8347000000e-03 -7.9520000000e-04  5.1350000000e-04  3.4988000000e-03 -2.0245000000e-03  1.9707000000e-03  7.4930000000e-04  3.0055000000e-03
-
-JOB 63
-COORDS -1.7314340000e+00 -4.2323600000e-01 -3.5185500000e-01 -1.4793890000e+00 -1.2898590000e+00 -3.2997000000e-02 -2.3969770000e+00 -5.9667400000e-01 -1.0175900000e+00  1.7970240000e+00  4.6201500000e-01  3.2424200000e-01  1.4686580000e+00  1.3422220000e+00  5.0766400000e-01  1.3928530000e+00 -8.9355000000e-02  9.9421900000e-01
-ENERGY -1.526541448640e+02
-FORCES -1.3274000000e-03 -4.4719000000e-03 -2.6915000000e-03 -9.7270000000e-04  3.7122000000e-03 -3.5860000000e-04  2.6363000000e-03  7.2990000000e-04  2.8396000000e-03 -5.2179000000e-03  1.8617000000e-03  2.6534000000e-03  2.5628000000e-03 -3.0508000000e-03 -2.6340000000e-04  2.3189000000e-03  1.2189000000e-03 -2.1796000000e-03
-
-JOB 64
-COORDS  1.1262700000e-01 -1.2873300000e+00 -1.3244620000e+00 -3.5371700000e-01 -1.2423610000e+00 -4.8975700000e-01 -1.9080600000e-01 -2.1018740000e+00 -1.7253100000e+00 -9.3830000000e-02  1.2925100000e+00  1.2489860000e+00  5.9627400000e-01  1.9347770000e+00  1.0832090000e+00 -2.7586600000e-01  1.3721240000e+00  2.1853390000e+00
-ENERGY -1.526560319785e+02
-FORCES -3.3419000000e-03 -1.6653000000e-03  2.9447000000e-03  1.5767000000e-03 -2.8803000000e-03 -4.7773000000e-03  1.1712000000e-03  3.2046000000e-03  1.6781000000e-03  3.0920000000e-03  4.2230000000e-03  2.5702000000e-03 -3.1288000000e-03 -2.2111000000e-03  1.5571000000e-03  6.3080000000e-04 -6.7090000000e-04 -3.9729000000e-03
-
-JOB 65
-COORDS  6.6645300000e-01 -1.7511930000e+00  1.7057000000e-02  9.1899600000e-01 -2.2063750000e+00 -7.8622600000e-01  1.3780290000e+00 -1.9343510000e+00  6.3052600000e-01 -7.3311700000e-01  1.8177220000e+00  4.6461000000e-02 -3.0336000000e-02  2.0133660000e+00 -5.7326000000e-01 -1.1657650000e+00  1.0452700000e+00 -3.1735900000e-01
-ENERGY -1.526553236358e+02
-FORCES  4.5659000000e-03 -3.0263000000e-03  5.7560000000e-04 -1.2878000000e-03  2.4404000000e-03  3.1025000000e-03 -2.7882000000e-03  3.0520000000e-04 -2.9540000000e-03  1.8977000000e-03 -4.6091000000e-03 -3.5620000000e-03 -2.7456000000e-03  1.8430000000e-04  2.1253000000e-03  3.5800000000e-04  4.7055000000e-03  7.1270000000e-04
-
-JOB 66
-COORDS -1.9344930000e+00  4.7919000000e-02 -4.6753200000e-01 -1.3095570000e+00  5.9151600000e-01  1.2249000000e-02 -2.0496760000e+00 -7.2729000000e-01  8.2026000000e-02  1.8898510000e+00 -1.0271500000e-01  4.3600500000e-01  1.9633280000e+00  6.9236600000e-01  9.6390600000e-01  2.0906720000e+00  1.8179400000e-01 -4.5559900000e-01
-ENERGY -1.526554913141e+02
-FORCES  3.5745000000e-03 -1.9806000000e-03  4.6956000000e-03 -3.6219000000e-03 -6.7870000000e-04 -2.1744000000e-03 -5.8340000000e-04  3.1388000000e-03 -2.2327000000e-03  2.9694000000e-03  3.7120000000e-03 -2.2493000000e-03 -1.4905000000e-03 -3.3319000000e-03 -2.3056000000e-03 -8.4810000000e-04 -8.5960000000e-04  4.2664000000e-03
-
-JOB 67
-COORDS -3.6388600000e-01 -1.8978180000e+00  4.5482500000e-01 -1.0763600000e-01 -2.7357810000e+00  6.9618000000e-02 -4.0397000000e-02 -1.9384670000e+00  1.3547890000e+00  2.7804700000e-01  1.9860290000e+00 -4.8947800000e-01  3.4316400000e-01  1.0546920000e+00 -2.7828600000e-01  1.1861460000e+00  2.2832570000e+00 -5.4643600000e-01
-ENERGY -1.526564321971e+02
-FORCES  1.2294000000e-03 -5.4987000000e-03  2.3009000000e-03 -9.4950000000e-04  3.5631000000e-03  1.9198000000e-03 -8.9420000000e-04  6.4410000000e-04 -4.2285000000e-03  3.1076000000e-03 -3.8339000000e-03  4.2080000000e-04  9.2620000000e-04  6.2475000000e-03 -7.3230000000e-04 -3.4196000000e-03 -1.1220000000e-03  3.1930000000e-04
-
-JOB 68
-COORDS  1.3624070000e+00  1.2920720000e+00 -9.2461500000e-01  1.0813370000e+00  3.7726300000e-01 -9.4350600000e-01  5.8207700000e-01  1.7773990000e+00 -6.5670700000e-01 -1.2629980000e+00 -1.2760340000e+00  8.6642300000e-01 -1.7006010000e+00 -1.9661280000e+00  1.3649260000e+00 -1.6187600000e+00 -4.6129000000e-01  1.2211870000e+00
-ENERGY -1.526557042603e+02
-FORCES -4.5823000000e-03 -2.9717000000e-03  1.1388000000e-03  2.0156000000e-03  4.8671000000e-03 -6.9300000000e-04  2.9298000000e-03 -1.3501000000e-03 -7.7600000000e-04 -3.7777000000e-03 -6.4930000000e-04  4.4040000000e-03  1.6374000000e-03  3.0730000000e-03 -1.9659000000e-03  1.7772000000e-03 -2.9689000000e-03 -2.1078000000e-03
-
-JOB 69
-COORDS -8.1114800000e-01  1.7058220000e+00  1.1420480000e+00 -4.0496000000e-01  2.5368640000e+00  1.3882410000e+00 -1.1039000000e-01  1.2135780000e+00  7.1441700000e-01  7.8608500000e-01 -1.6683510000e+00 -1.1348050000e+00  9.9380800000e-01 -2.4991250000e+00 -7.0714000000e-01 -8.5723000000e-02 -1.8013920000e+00 -1.5069380000e+00
-ENERGY -1.526561947294e+02
-FORCES  4.9519000000e-03  8.1890000000e-04 -1.1326000000e-03 -1.6279000000e-03 -3.1950000000e-03 -8.8310000000e-04 -3.5558000000e-03  3.2307000000e-03  2.5161000000e-03 -2.8022000000e-03 -4.9285000000e-03 -2.8490000000e-04 -8.3170000000e-04  3.4667000000e-03 -1.8486000000e-03  3.8656000000e-03  6.0720000000e-04  1.6331000000e-03
-
-JOB 70
-COORDS  1.2065000000e-01 -1.1685210000e+00  1.8556860000e+00 -3.8811100000e-01 -3.6635200000e-01  1.9736660000e+00  9.3811900000e-01 -1.0056350000e+00  2.3262660000e+00 -1.3141700000e-01  1.0844240000e+00 -1.8237000000e+00 -8.5747400000e-01  9.9435300000e-01 -2.4409200000e+00  5.2409900000e-01  1.5964660000e+00 -2.2973500000e+00
-ENERGY -1.526539299566e+02
-FORCES  1.2804000000e-03  4.7485000000e-03  1.0787000000e-03  1.8079000000e-03 -3.6168000000e-03  6.4130000000e-04 -3.1683000000e-03 -8.4060000000e-04 -1.5888000000e-03 -1.6570000000e-04  1.0370000000e-03 -4.7827000000e-03  2.9345000000e-03  6.3860000000e-04  2.5814000000e-03 -2.6888000000e-03 -1.9667000000e-03  2.0701000000e-03
-
-JOB 71
-COORDS -7.1747800000e-01 -8.1047100000e-01  1.9538240000e+00 -7.7719600000e-01 -8.0020500000e-01  2.9091040000e+00 -4.6518700000e-01  8.2663000000e-02  1.7195280000e+00  7.0710200000e-01  7.0564100000e-01 -2.0263880000e+00  1.4718170000e+00  1.2053240000e+00 -1.7404510000e+00 -3.9676000000e-02  1.1787460000e+00 -1.6593380000e+00
-ENERGY -1.526531836030e+02
-FORCES  1.0659000000e-03  3.3524000000e-03  2.8837000000e-03  2.7850000000e-04 -3.5800000000e-05 -4.0313000000e-03 -1.3497000000e-03 -3.1291000000e-03  9.1830000000e-04  4.6000000000e-06  3.5337000000e-03  2.0518000000e-03 -3.3480000000e-03 -1.9897000000e-03 -8.7790000000e-04  3.3486000000e-03 -1.7315000000e-03 -9.4450000000e-04
-
-JOB 72
-COORDS  1.5141120000e+00 -6.6408600000e-01 -1.5027920000e+00  2.3544650000e+00 -2.3680000000e-01 -1.6685200000e+00  1.7343050000e+00 -1.4279890000e+00 -9.6968900000e-01 -1.5505870000e+00  6.3599800000e-01  1.5393180000e+00 -2.4369910000e+00  8.4925500000e-01  1.2477010000e+00 -9.7926900000e-01  1.1338710000e+00  9.5455300000e-01
-ENERGY -1.526551803330e+02
-FORCES  4.4262000000e-03 -2.2237000000e-03  1.5292000000e-03 -3.5948000000e-03 -1.5226000000e-03  7.7170000000e-04 -5.6370000000e-04  3.2680000000e-03 -2.5119000000e-03 -8.6460000000e-04  2.5824000000e-03 -4.4557000000e-03  3.3768000000e-03 -7.6190000000e-04  1.3671000000e-03 -2.7799000000e-03 -1.3422000000e-03  3.2996000000e-03
-
-JOB 73
-COORDS -9.7629800000e-01  1.1180120000e+00  1.8834730000e+00 -1.0121790000e+00  3.5844700000e-01  1.3020910000e+00 -4.5995300000e-01  1.7644820000e+00  1.4021250000e+00  9.2333900000e-01 -1.1482880000e+00 -1.8639930000e+00  1.8453860000e+00 -9.4517000000e-01 -1.7064980000e+00  4.5313500000e-01 -6.7922200000e-01 -1.1747060000e+00
-ENERGY -1.526527470012e+02
-FORCES  1.1414000000e-03 -2.2400000000e-05 -3.6492000000e-03  1.1327000000e-03  3.2742000000e-03  1.6221000000e-03 -1.9288000000e-03 -3.3729000000e-03  1.7309000000e-03  2.5031000000e-03  2.3786000000e-03  3.0625000000e-03 -4.1286000000e-03 -7.1480000000e-04 -6.4840000000e-04  1.2802000000e-03 -1.5427000000e-03 -2.1179000000e-03
-
-JOB 74
-COORDS -1.3683500000e+00 -7.6768500000e-01 -1.9497570000e+00 -1.5105600000e+00 -1.6440410000e+00 -2.3075400000e+00 -2.2350940000e+00 -3.6158300000e-01 -1.9579040000e+00  1.4762620000e+00  8.2716200000e-01  1.9472990000e+00  1.4282680000e+00  4.7658700000e-01  2.8366950000e+00  6.4634600000e-01  5.7268300000e-01  1.5439230000e+00
-ENERGY -1.526546978797e+02
-FORCES -4.0460000000e-03 -2.0656000000e-03 -2.2989000000e-03  4.4990000000e-04  3.6463000000e-03  1.5753000000e-03  3.6303000000e-03 -1.7011000000e-03  3.6950000000e-04 -3.7403000000e-03 -2.7162000000e-03  1.1970000000e-03  2.1540000000e-04  1.4287000000e-03 -3.4572000000e-03  3.4908000000e-03  1.4078000000e-03  2.6143000000e-03
-
-JOB 75
-COORDS -3.4061300000e-01  2.4792450000e+00 -2.6263000000e-02 -4.0806200000e-01  3.2132260000e+00  5.8443700000e-01 -9.1547800000e-01  2.7183670000e+00 -7.5329900000e-01  3.9047100000e-01 -2.5005730000e+00  8.4819000000e-02  9.5151100000e-01 -3.1364230000e+00 -3.5920800000e-01 -4.0935100000e-01 -2.4781410000e+00 -4.4055100000e-01
-ENERGY -1.526533592039e+02
-FORCES -2.4424000000e-03  3.8759000000e-03 -1.8810000000e-04  2.5700000000e-04 -2.9387000000e-03 -2.5870000000e-03  2.2944000000e-03 -1.1162000000e-03  2.8829000000e-03 -1.0041000000e-03 -1.8082000000e-03 -4.0284000000e-03 -2.2648000000e-03  2.5056000000e-03  1.8514000000e-03  3.1599000000e-03 -5.1850000000e-04  2.0693000000e-03
-
-JOB 76
-COORDS -2.0611330000e+00 -3.0551300000e-01 -1.5106550000e+00 -2.6379230000e+00  4.5838800000e-01 -1.5099490000e+00 -2.4386720000e+00 -8.9068500000e-01 -2.1673660000e+00  2.1273080000e+00  2.5668500000e-01  1.4957490000e+00  2.2482960000e+00 -1.6329000000e-02  2.4051760000e+00  1.8490420000e+00  1.1706560000e+00  1.5545530000e+00
-ENERGY -1.526533925669e+02
-FORCES -3.6441000000e-03  5.1730000000e-04 -2.7435000000e-03  2.3899000000e-03 -3.0214000000e-03  1.0700000000e-04  1.4507000000e-03  2.4275000000e-03  2.7006000000e-03 -1.2637000000e-03  2.5041000000e-03  3.6214000000e-03 -3.5580000000e-04  1.1047000000e-03 -3.6513000000e-03  1.4231000000e-03 -3.5321000000e-03 -3.4200000000e-05
-
-JOB 77
-COORDS -1.5325440000e+00 -2.4239580000e+00  4.3377500000e-01 -2.0095720000e+00 -1.7075100000e+00  1.4993000000e-02 -1.2335950000e+00 -2.9703890000e+00 -2.9305000000e-01  1.5609780000e+00  2.3551810000e+00 -3.4281700000e-01  1.2710820000e+00  2.5052440000e+00 -1.2426360000e+00  1.5326210000e+00  3.2202780000e+00  6.5883000000e-02
-ENERGY -1.526537785984e+02
-FORCES -2.6090000000e-04  1.0716000000e-03 -4.5978000000e-03  1.6249000000e-03 -3.0839000000e-03  1.5971000000e-03 -1.3672000000e-03  2.0942000000e-03  2.9008000000e-03 -1.1264000000e-03  4.2002000000e-03 -1.7701000000e-03  1.0392000000e-03 -7.4640000000e-04  3.6298000000e-03  9.0300000000e-05 -3.5357000000e-03 -1.7597000000e-03
-
-JOB 78
-COORDS  2.8082300000e-01 -6.3381500000e-01  2.8059300000e+00 -4.4463000000e-01 -1.2304850000e+00  2.6217160000e+00  5.7688100000e-01 -8.7938800000e-01  3.6824440000e+00 -3.0135700000e-01  7.2418800000e-01 -2.8398000000e+00 -7.9629000000e-02 -1.5034000000e-02 -2.2735680000e+00  3.4181000000e-01  6.8564000000e-01 -3.5476710000e+00
-ENERGY -1.526541658079e+02
-FORCES -1.8983000000e-03 -3.1920000000e-03  3.1482000000e-03  3.1237000000e-03  2.3257000000e-03  5.2910000000e-04 -1.1990000000e-03  9.5050000000e-04 -3.6215000000e-03  3.7884000000e-03 -3.0051000000e-03 -1.4550000000e-04 -1.1507000000e-03  2.7855000000e-03 -2.6647000000e-03 -2.6641000000e-03  1.3540000000e-04  2.7544000000e-03
-
-JOB 79
-COORDS  1.4612390000e+00  6.1450600000e-01 -2.8641110000e+00  2.3797530000e+00  7.5176100000e-01 -3.0958990000e+00  1.3606220000e+00 -3.3695100000e-01 -2.8351810000e+00 -1.5035250000e+00 -5.1173600000e-01  2.9158770000e+00 -2.2041810000e+00 -7.3201100000e-01  2.3020430000e+00 -8.7666000000e-01 -1.2302820000e+00  2.8324290000e+00
-ENERGY -1.526538639991e+02
-FORCES  3.4438000000e-03 -3.1484000000e-03 -8.1600000000e-04 -3.7749000000e-03 -6.2150000000e-04  9.2240000000e-04  3.1610000000e-04  3.7992000000e-03 -4.5900000000e-05 -2.6110000000e-04 -3.5906000000e-03 -3.0435000000e-03  2.8225000000e-03  7.4880000000e-04  2.5991000000e-03 -2.5464000000e-03  2.8124000000e-03  3.8380000000e-04
-
-JOB 80
-COORDS  2.1457560000e+00  1.9104350000e+00 -1.5585480000e+00  3.0703940000e+00  1.9700600000e+00 -1.7988000000e+00  2.1020400000e+00  2.2834090000e+00 -6.7808700000e-01 -2.1867530000e+00 -1.9264380000e+00  1.5926670000e+00 -1.8201120000e+00 -2.6075960000e+00  1.0289030000e+00 -2.6894590000e+00 -1.3685460000e+00  9.9914000000e-01
-ENERGY -1.526543990438e+02
-FORCES  3.6431000000e-03  1.7826000000e-03  2.7472000000e-03 -3.7667000000e-03 -2.5360000000e-04  9.4380000000e-04  1.8780000000e-04 -1.4655000000e-03 -3.6971000000e-03 -4.2110000000e-04 -4.2270000000e-04 -4.9493000000e-03 -1.5630000000e-03  2.6490000000e-03  2.4073000000e-03  1.9200000000e-03 -2.2899000000e-03  2.5481000000e-03
-
-JOB 81
-COORDS  1.8704300000e-01  3.3849130000e+00 -3.6957100000e-01 -1.9145000000e-01  4.2640990000e+00 -3.6685300000e-01  6.9221300000e-01  3.3385980000e+00  4.4214900000e-01 -2.2344000000e-01 -3.4833170000e+00  3.4890000000e-01  2.9042700000e-01 -2.7829250000e+00  7.5092400000e-01 -2.4930600000e-01 -3.2584710000e+00 -5.8115700000e-01
-ENERGY -1.526543347216e+02
-FORCES  4.0290000000e-04  3.6570000000e-03  3.2942000000e-03  1.5893000000e-03 -3.6044000000e-03  6.5000000000e-06 -2.0257000000e-03  7.0000000000e-07 -3.3296000000e-03  1.8861000000e-03  4.0004000000e-03 -2.2983000000e-03 -1.9938000000e-03 -2.9545000000e-03 -1.4679000000e-03  1.4120000000e-04 -1.0991000000e-03  3.7950000000e-03
-
-JOB 82
-COORDS -5.1665600000e-01  1.1882490000e+00 -3.7154380000e+00 -6.0528700000e-01  1.0108950000e+00 -2.7789960000e+00  1.7335500000e-01  1.8493960000e+00 -3.7702220000e+00  4.5874700000e-01 -1.2594280000e+00  3.6898510000e+00  1.6740300000e-01 -3.4765400000e-01  3.6857310000e+00  1.3000130000e+00 -1.2446200000e+00  3.2334700000e+00
-ENERGY -1.526538835957e+02
-FORCES  2.3667000000e-03  1.9256000000e-03  3.5118000000e-03  4.5330000000e-04  7.9470000000e-04 -3.7734000000e-03 -2.8010000000e-03 -2.7135000000e-03  2.9510000000e-04  2.2911000000e-03  3.6770000000e-03 -1.6615000000e-03  1.1943000000e-03 -3.7080000000e-03 -1.3830000000e-04 -3.5044000000e-03  2.4300000000e-05  1.7662000000e-03
-
-JOB 83
-COORDS  4.1339210000e+00  3.4786400000e-01  2.9624100000e-01  3.2189580000e+00  4.9217600000e-01  5.4894000000e-02  4.6130210000e+00  1.0453610000e+00 -1.5118800000e-01 -4.0868230000e+00 -4.4769800000e-01 -2.6955900000e-01 -3.7160420000e+00  3.9083500000e-01 -5.4454300000e-01 -4.9126670000e+00 -2.1696800000e-01  1.5585600000e-01
-ENERGY -1.526539984156e+02
-FORCES -1.8187000000e-03  3.3126000000e-03 -2.8193000000e-03  3.7653000000e-03 -4.7280000000e-04  9.7830000000e-04 -1.9635000000e-03 -2.8151000000e-03  1.8337000000e-03 -1.9933000000e-03  4.3001000000e-03  6.6290000000e-04 -1.3881000000e-03 -3.4085000000e-03  1.1057000000e-03  3.3984000000e-03 -9.1640000000e-04 -1.7613000000e-03
-
-JOB 84
-COORDS -1.6035310000e+00 -3.6721590000e+00  2.2038740000e+00 -2.5312090000e+00 -3.5507890000e+00  2.4061470000e+00 -1.1567240000e+00 -3.5443480000e+00  3.0406890000e+00  1.6813230000e+00  3.6500650000e+00 -2.3027160000e+00  7.8121100000e-01  3.3705480000e+00 -2.4697520000e+00  1.6474820000e+00  4.0661190000e+00 -1.4413300000e+00
-ENERGY -1.526540541286e+02
-FORCES -1.9239000000e-03  9.1340000000e-04  4.2583000000e-03  3.7855000000e-03 -4.4060000000e-04 -8.4410000000e-04 -1.8487000000e-03 -4.7860000000e-04 -3.4207000000e-03 -3.8223000000e-03  4.2270000000e-04  2.8385000000e-03  3.6638000000e-03  1.2275000000e-03  6.7100000000e-04  1.4560000000e-04 -1.6443000000e-03 -3.5032000000e-03
-
-JOB 85
-COORDS  1.9540830000e+00 -3.4491640000e+00 -3.3994780000e+00  2.8845500000e+00 -3.3183730000e+00 -3.5821190000e+00  1.5033840000e+00 -2.9413160000e+00 -4.0741580000e+00 -1.9749820000e+00  3.4005730000e+00  3.5080290000e+00 -1.3449430000e+00  3.8172150000e+00  2.9200740000e+00 -2.7339960000e+00  3.2161950000e+00  2.9547340000e+00
-ENERGY -1.526540360551e+02
-FORCES  1.9898000000e-03  2.5486000000e-03 -3.4955000000e-03 -3.8118000000e-03 -5.1060000000e-04  7.3870000000e-04  1.8212000000e-03 -2.0391000000e-03  2.7672000000e-03 -5.1180000000e-04  8.6660000000e-04 -4.6618000000e-03 -2.5732000000e-03 -1.6601000000e-03  2.3958000000e-03  3.0858000000e-03  7.9460000000e-04  2.2556000000e-03
-
-JOB 86
-COORDS -1.8924000000e-02 -6.0794990000e+00  4.8548600000e-01  3.2973500000e-01 -6.2974430000e+00 -3.7890300000e-01  5.3366900000e-01 -6.5663810000e+00  1.0968940000e+00  2.7110000000e-02  6.1247490000e+00 -4.3504400000e-01 -7.6180000000e-01  5.6359860000e+00 -2.0059900000e-01 -1.4250400000e-01  6.4432510000e+00 -1.3216210000e+00
-ENERGY -1.526541006191e+02
-FORCES  3.7051000000e-03 -2.8681000000e-03 -1.0157000000e-03 -1.4373000000e-03  8.8790000000e-04  3.5164000000e-03 -2.2641000000e-03  1.9770000000e-03 -2.4990000000e-03 -3.9230000000e-03 -7.4260000000e-04 -2.6442000000e-03  3.2181000000e-03  2.0271000000e-03 -9.6480000000e-04  7.0120000000e-04 -1.2813000000e-03  3.6073000000e-03
-
-JOB 87
-COORDS -5.3163070000e+00 -3.9379960000e+00  3.7555400000e-01 -6.1497750000e+00 -3.5164470000e+00  5.8497900000e-01 -4.8575810000e+00 -3.9924480000e+00  1.2139080000e+00  5.3308330000e+00  3.8872780000e+00 -3.7537600000e-01  6.0846570000e+00  4.0318430000e+00 -9.4728700000e-01  4.6099770000e+00  4.3447000000e+00 -8.0823100000e-01
-ENERGY -1.526540896544e+02
-FORCES -1.5001000000e-03  1.4989000000e-03  4.2888000000e-03  3.3896000000e-03 -1.7178000000e-03 -8.6340000000e-04 -1.8905000000e-03  2.1760000000e-04 -3.4230000000e-03  1.2750000000e-04  2.4339000000e-03 -4.1218000000e-03 -3.0695000000e-03 -5.8060000000e-04  2.3406000000e-03  2.9432000000e-03 -1.8520000000e-03  1.7787000000e-03
-
-JOB 88
-COORDS  6.6877180000e+00 -1.2322450000e+00 -2.2982440000e+00  6.5626680000e+00 -7.1738100000e-01 -3.0954330000e+00  6.1134560000e+00 -1.9899440000e+00 -2.4093650000e+00 -6.6372770000e+00  1.2707580000e+00  2.4095890000e+00 -7.2096860000e+00  5.4808100000e-01  2.1520650000e+00 -6.2584350000e+00  1.5815670000e+00  1.5873310000e+00
-ENERGY -1.526540442504e+02
-FORCES -2.8401000000e-03 -9.9110000000e-04 -3.6936000000e-03  5.0150000000e-04 -2.1022000000e-03  3.2493000000e-03  2.3356000000e-03  3.0940000000e-03  4.4540000000e-04 -7.9010000000e-04 -1.6721000000e-03 -4.3903000000e-03  2.3391000000e-03  2.9464000000e-03  1.0432000000e-03 -1.5460000000e-03 -1.2750000000e-03  3.3460000000e-03
-
-JOB 89
-COORDS -1.1310520000e+00  1.7645980000e+00  7.2971590000e+00 -6.2070300000e-01  1.0929210000e+00  7.7495150000e+00 -2.0256820000e+00  1.4242270000e+00  7.2932630000e+00  1.1154180000e+00 -1.6894130000e+00 -7.2619290000e+00  1.3947930000e+00 -1.1291390000e+00 -7.9859970000e+00  1.4025400000e+00 -2.5672890000e+00 -7.5131770000e+00
-ENERGY -1.526540590025e+02
-FORCES -1.5671000000e-03 -4.1395000000e-03  1.7903000000e-03 -2.0810000000e-03  2.7443000000e-03 -1.8280000000e-03  3.6473000000e-03  1.3927000000e-03  3.6400000000e-05  2.3178000000e-03 -1.2780000000e-03 -3.9721000000e-03 -1.1419000000e-03 -2.2941000000e-03  2.9485000000e-03 -1.1751000000e-03  3.5745000000e-03  1.0250000000e-03
-
-JOB 0
-COORDS  4.8021000000e-02  2.1951900000e-01  1.3008680000e+00  2.4763500000e-01 -1.4797900000e-01  4.3986100000e-01  3.2810000000e-02  1.1661860000e+00  1.1600810000e+00  5.6060000000e-03 -2.7641800000e-01 -1.2184760000e+00 -7.5995700000e-01 -8.3052600000e-01 -1.3704900000e+00 -3.1406100000e-01  6.1608400000e-01 -1.3507080000e+00
-ENERGY -1.526541326354e+02
-FORCES  1.5930000000e-03 -3.7828000000e-03 -2.3795500000e-02 -1.2928000000e-03  2.4430000000e-03  7.5273000000e-03 -9.3410000000e-04 -2.3769000000e-03 -1.6839000000e-03 -5.7452000000e-03  4.2927000000e-03  1.3419600000e-02  4.1628000000e-03  3.5910000000e-03  1.3215000000e-03  2.2162000000e-03 -4.1670000000e-03  3.2110000000e-03
-
-JOB 1
-COORDS  5.1762300000e-01  1.2136320000e+00 -1.7495100000e-01  8.3492400000e-01  1.2561030000e+00 -1.0770310000e+00  2.9278000000e-01  2.9265400000e-01 -4.2748000000e-02 -4.6486700000e-01 -1.1283230000e+00  2.3353500000e-01 -1.3006710000e+00 -9.8179800000e-01  6.7647300000e-01 -6.4490300000e-01 -1.8293110000e+00 -3.9291300000e-01
-ENERGY -1.526573872159e+02
-FORCES -6.9991000000e-03 -2.0130200000e-02  1.1449000000e-03 -1.3358000000e-03 -1.9148000000e-03  2.0937000000e-03  2.2955000000e-03  7.6205000000e-03  3.6360000000e-04  2.1570000000e-03  1.2830600000e-02 -3.8425000000e-03  4.2988000000e-03 -2.1232000000e-03 -3.1442000000e-03 -4.1640000000e-04  3.7172000000e-03  3.3845000000e-03
-
-JOB 2
-COORDS  3.0670000000e-03 -8.6311500000e-01  9.1799600000e-01  5.6065800000e-01 -1.3830910000e+00  3.3924800000e-01 -5.9459000000e-01 -1.4993510000e+00  1.3107330000e+00 -6.0541000000e-02  9.5736800000e-01 -9.0814300000e-01  2.5011800000e-01  2.2068600000e-01 -3.8181400000e-01  6.8998300000e-01  1.1974310000e+00 -1.4515720000e+00
-ENERGY -1.526499072362e+02
-FORCES -5.0956000000e-03  4.4379000000e-03 -7.5331000000e-03 -3.5507000000e-03  1.0327200000e-02 -1.2796000000e-03  4.2827000000e-03  2.1222000000e-03 -1.4609000000e-03 -1.6780000000e-03 -8.0856000000e-03  1.2048700000e-02  7.6493000000e-03 -4.7474000000e-03 -5.6626000000e-03 -1.6079000000e-03 -4.0544000000e-03  3.8876000000e-03
-
-JOB 3
-COORDS  6.2389800000e-01  1.2100360000e+00 -3.6023000000e-02  3.8089500000e-01  2.9468900000e-01 -1.7502600000e-01 -2.0128100000e-01  1.6485720000e+00  1.7133400000e-01 -5.6246300000e-01 -1.1360010000e+00  8.9693000000e-02 -3.1329000000e-02 -1.9232550000e+00 -3.0140000000e-02 -1.1028970000e+00 -1.0887790000e+00 -6.9893400000e-01
-ENERGY -1.526563476706e+02
-FORCES -1.1131600000e-02 -1.7402600000e-02  4.0854000000e-03  4.0990000000e-03  5.6517000000e-03 -5.2780000000e-03  1.6797000000e-03 -6.5560000000e-04 -1.5757000000e-03  2.4550000000e-03  4.3331000000e-03 -1.1381000000e-03 -2.2771000000e-03  5.9513000000e-03 -5.0640000000e-04  5.1750000000e-03  2.1221000000e-03  4.4127000000e-03
-
-JOB 4
-COORDS -7.6759100000e-01 -3.5852000000e-02 -1.0038660000e+00 -1.5413900000e+00 -5.9880000000e-01 -9.8028900000e-01 -9.5607800000e-01  6.0247900000e-01 -1.6917900000e+00  7.9726200000e-01  5.8674000000e-02  1.0946550000e+00  1.6759100000e+00 -2.9656100000e-01  9.6042200000e-01  3.7006600000e-01 -2.9342000000e-02  2.4260500000e-01
-ENERGY -1.526594138767e+02
-FORCES  3.7745000000e-03  1.3883000000e-03  8.0271000000e-03  3.2092000000e-03  3.6795000000e-03 -1.8565000000e-03 -6.9450000000e-04 -4.1868000000e-03  2.7118000000e-03 -8.7083000000e-03 -6.1790000000e-04 -1.3451200000e-02 -3.3051000000e-03  8.8190000000e-04 -1.6453000000e-03  5.7242000000e-03 -1.1451000000e-03  6.2140000000e-03
-
-JOB 5
-COORDS  9.9751300000e-01  2.0500000000e-02  7.9944000000e-01  1.3629090000e+00 -4.1115200000e-01  1.5717060000e+00  1.7065290000e+00  2.8030000000e-03  1.5662200000e-01 -1.0695010000e+00  5.8722000000e-02 -8.4197100000e-01 -3.2707400000e-01 -2.1369900000e-01 -3.0269400000e-01 -1.6759150000e+00 -6.8104500000e-01 -8.0678600000e-01
-ENERGY -1.526578191666e+02
-FORCES -3.1821000000e-03 -4.2680000000e-04 -2.2002000000e-03 -7.6110000000e-04  2.4586000000e-03 -4.4249000000e-03 -5.9885000000e-03 -1.5907000000e-03  3.0856000000e-03  9.8135000000e-03 -1.8446000000e-03  1.1507100000e-02 -2.7363000000e-03 -2.8460000000e-04 -9.2698000000e-03  2.8544000000e-03  1.6880000000e-03  1.3022000000e-03
-
-JOB 6
-COORDS  6.7614000000e-02 -1.4016840000e+00  1.1941700000e-01 -1.4520200000e-01 -5.5863900000e-01  5.1968500000e-01  1.0158800000e-01 -1.2197040000e+00 -8.1971100000e-01 -7.6486000000e-02  1.3116590000e+00 -3.2265000000e-02 -5.7768600000e-01  1.4900240000e+00 -8.2801400000e-01  7.9841500000e-01  1.6525370000e+00 -2.1823400000e-01
-ENERGY -1.526569869086e+02
-FORCES -8.3320000000e-04  1.6688200000e-02 -3.0052000000e-03 -4.6090000000e-04 -6.5724000000e-03  2.6913000000e-03  1.7700000000e-05 -1.8365000000e-03  5.0660000000e-04  2.5484000000e-03 -4.4730000000e-03 -3.1458000000e-03  3.4393000000e-03 -2.0986000000e-03  3.1334000000e-03 -4.7113000000e-03 -1.7077000000e-03 -1.8020000000e-04
-
-JOB 7
-COORDS -6.5408200000e-01  1.1054750000e+00  3.9881000000e-02 -2.5687300000e-01  1.9716070000e+00 -5.1076000000e-02 -1.5510030000e+00  1.2185450000e+00 -2.7472900000e-01  7.1861100000e-01 -1.2081480000e+00  9.3880000000e-03  1.7824700000e-01 -1.3108440000e+00 -7.7399700000e-01  5.7043100000e-01 -3.0393900000e-01  2.8630000000e-01
-ENERGY -1.526569423700e+02
-FORCES -1.7480000000e-04 -4.7183000000e-03 -1.3957000000e-03 -1.5409000000e-03 -5.2516000000e-03  4.8130000000e-04  4.6962000000e-03  6.6340000000e-04  5.1510000000e-04 -1.0481900000e-02  1.3379000000e-02 -2.5339000000e-03  1.2769000000e-03 -2.2717000000e-03  9.3220000000e-04  6.2246000000e-03 -1.8008000000e-03  2.0010000000e-03
-
-JOB 8
-COORDS  3.2244700000e-01  7.2553300000e-01  1.1275020000e+00 -6.1376700000e-01  6.5380000000e-01  1.3134850000e+00  6.7892200000e-01 -1.3301200000e-01  1.3556650000e+00 -2.3370900000e-01 -6.7351000000e-01 -1.1943530000e+00 -1.1117770000e+00 -1.0500020000e+00 -1.2533610000e+00 -2.6314600000e-01 -1.1664400000e-01 -4.1636500000e-01
-ENERGY -1.526552268523e+02
-FORCES  3.5400000000e-04 -4.9672000000e-03  2.2140000000e-03  4.9212000000e-03 -2.1515000000e-03 -7.5106000000e-03 -3.9515000000e-03  4.8552000000e-03 -3.5387000000e-03  1.4829000000e-03  7.9660000000e-03  8.1361000000e-03  3.1096000000e-03  2.6241000000e-03  2.9855000000e-03 -5.9161000000e-03 -8.3267000000e-03 -2.2863000000e-03
-
-JOB 9
-COORDS -2.8312200000e-01 -1.2149790000e+00  6.5558000000e-01 -9.6462900000e-01 -1.6043960000e+00  1.0773500000e-01 -2.2541400000e-01 -3.0711600000e-01  3.5777600000e-01  2.5860100000e-01  1.1467300000e+00 -5.8781800000e-01  7.9929400000e-01  1.6857130000e+00 -1.0428000000e-02  7.0219300000e-01  1.1833320000e+00 -1.4352370000e+00
-ENERGY -1.526596147052e+02
-FORCES  6.3760000000e-04  1.2011400000e-02 -8.9923000000e-03  2.2062000000e-03  1.1758000000e-03  8.6510000000e-04 -1.7589000000e-03 -5.5820000000e-03  7.2908000000e-03  3.3594000000e-03 -5.4939000000e-03 -3.6880000000e-04 -2.7319000000e-03 -3.8092000000e-03 -2.9117000000e-03 -1.7124000000e-03  1.6979000000e-03  4.1169000000e-03
-
-JOB 10
-COORDS  3.7342800000e-01 -5.7654900000e-01  1.1411750000e+00 -3.9662000000e-01 -1.1262390000e+00  1.2864320000e+00  1.0602550000e+00 -9.8068900000e-01  1.6714310000e+00 -4.1215300000e-01  6.7883900000e-01 -1.1940960000e+00  1.8222800000e-01  1.7850600000e-01 -1.7532110000e+00 -2.4336500000e-01  3.5126700000e-01 -3.1067100000e-01
-ENERGY -1.526590862701e+02
-FORCES  1.1114000000e-03 -1.0630000000e-04 -1.4951000000e-03  4.3067000000e-03  3.7486000000e-03 -1.9708000000e-03 -4.3683000000e-03  1.8550000000e-04 -1.9187000000e-03  7.8304000000e-03 -6.3614000000e-03  8.8750000000e-03 -1.8736000000e-03  1.4946000000e-03  5.5990000000e-04 -7.0067000000e-03  1.0390000000e-03 -4.0502000000e-03
-
-JOB 11
-COORDS -3.3189100000e-01 -1.2932100000e+00  7.4842000000e-02 -1.2212260000e+00 -1.6291090000e+00 -3.6901000000e-02  9.4821000000e-02 -1.9298630000e+00  6.4827100000e-01  3.2886500000e-01  1.3950490000e+00 -1.2347100000e-01  1.1557660000e+00  1.3735530000e+00  3.5819700000e-01  3.4370000000e-02  4.8435700000e-01 -1.3546000000e-01
-ENERGY -1.526603002279e+02
-FORCES  1.0630000000e-04  1.6347000000e-03  2.0427000000e-03  4.7883000000e-03  9.0300000000e-04  1.1339000000e-03 -2.9265000000e-03  2.2086000000e-03 -2.7978000000e-03 -6.8250000000e-04 -1.3337400000e-02  2.3432000000e-03 -2.0259000000e-03 -1.2390000000e-04 -1.0314000000e-03  7.4030000000e-04  8.7150000000e-03 -1.6906000000e-03
-
-JOB 12
-COORDS -1.2110890000e+00  4.7209700000e-01  3.3793100000e-01 -1.6166900000e+00  6.3000000000e-01  1.1904490000e+00 -1.8951030000e+00  4.5127000000e-02 -1.7787300000e-01  1.3260790000e+00 -4.6940700000e-01 -3.9392000000e-01  1.0554790000e+00 -8.8509000000e-01  4.2474600000e-01  6.3484600000e-01  1.6593000000e-01 -5.8040000000e-01
-ENERGY -1.526582981755e+02
-FORCES -7.4940000000e-04 -1.5172000000e-03  8.6690000000e-04  1.4846000000e-03 -2.0407000000e-03 -3.9576000000e-03  3.7350000000e-03  2.1687000000e-03  2.6355000000e-03 -1.1961600000e-02  3.9777000000e-03  6.3854000000e-03  3.2935000000e-03 -1.2156000000e-03 -1.2677000000e-03  4.1978000000e-03 -1.3730000000e-03 -4.6625000000e-03
-
-JOB 13
-COORDS -4.0089000000e-01  1.0502440000e+00 -7.0831100000e-01  2.1058900000e-01  1.2586950000e+00 -1.4146200000e+00 -1.0147610000e+00  1.7846030000e+00 -6.9779800000e-01  3.5685300000e-01 -1.1369560000e+00  7.8648500000e-01  1.2846070000e+00 -1.3720600000e+00  8.0164800000e-01  2.9659900000e-01 -4.3976600000e-01  1.3339500000e-01
-ENERGY -1.526582613590e+02
-FORCES -2.2565000000e-03  6.9540000000e-04  2.6549000000e-03 -2.1606000000e-03 -2.3019000000e-03  4.6961000000e-03  3.6316000000e-03 -2.2335000000e-03 -2.1379000000e-03 -2.2875000000e-03  8.8117000000e-03 -5.0335000000e-03 -2.9328000000e-03  2.2276000000e-03 -1.4906000000e-03  6.0058000000e-03 -7.1992000000e-03  1.3109000000e-03
-
-JOB 14
-COORDS -3.8532400000e-01  7.2711400000e-01  1.1488760000e+00 -1.9051100000e-01  5.8507800000e-01  2.0752160000e+00  2.1386900000e-01  1.4214300000e-01  6.8518700000e-01  2.8167700000e-01 -6.7539600000e-01 -1.1375790000e+00  7.1253000000e-01 -1.4084500000e-01 -1.8045520000e+00  8.5031600000e-01 -1.4388840000e+00 -1.0377350000e+00
-ENERGY -1.526574635364e+02
-FORCES  2.7146000000e-03 -5.6003000000e-03 -6.9317000000e-03  2.8030000000e-04 -1.2117000000e-03 -4.4452000000e-03  4.7110000000e-04  3.6608000000e-03  9.3589000000e-03  7.2870000000e-04  1.2274000000e-03 -3.6498000000e-03 -1.6458000000e-03 -3.3347000000e-03  3.6400000000e-03 -2.5488000000e-03  5.2584000000e-03  2.0278000000e-03
-
-JOB 15
-COORDS  9.4770000000e-02  1.1328780000e+00 -9.0589200000e-01  2.5535100000e-01  1.8404540000e+00 -2.8156700000e-01  4.2021500000e-01  3.4701000000e-01 -4.6688200000e-01 -9.8518000000e-02 -1.1551390000e+00  8.9667800000e-01 -8.3170900000e-01 -5.4515800000e-01  8.1552500000e-01  1.9033500000e-01 -1.3043130000e+00 -3.6230000000e-03
-ENERGY -1.526522196355e+02
-FORCES  4.2486000000e-03 -1.6106000000e-03  8.3056000000e-03 -1.8588000000e-03 -2.7481000000e-03 -2.6807000000e-03 -4.8746000000e-03 -4.7630000000e-03 -4.4295000000e-03 -5.9031000000e-03  1.5379000000e-03 -5.2893000000e-03  6.1167000000e-03 -1.7506000000e-03  8.8160000000e-04  2.2712000000e-03  9.3345000000e-03  3.2123000000e-03
-
-JOB 16
-COORDS  1.1163390000e+00  4.7046000000e-01  7.6950200000e-01  2.0042260000e+00  1.1530600000e-01  7.2763000000e-01  6.4052100000e-01  9.1460000000e-03  7.8836000000e-02 -1.1115010000e+00 -3.8070700000e-01 -7.7415900000e-01 -1.6342500000e+00 -1.2815300000e-01 -1.3119000000e-02 -1.0938940000e+00 -1.3373440000e+00 -7.4644500000e-01
-ENERGY -1.526602773366e+02
-FORCES -4.8059000000e-03 -2.8569000000e-03 -7.2756000000e-03 -3.9979000000e-03 -9.0200000000e-05 -1.0948000000e-03  8.0716000000e-03  5.7440000000e-04  7.5535000000e-03 -4.7489000000e-03 -7.3080000000e-04  4.4505000000e-03  3.1303000000e-03 -2.2190000000e-03 -4.3679000000e-03  2.3507000000e-03  5.3225000000e-03  7.3430000000e-04
-
-JOB 17
-COORDS  8.3696300000e-01  9.2326200000e-01  7.1390600000e-01  6.1002500000e-01  1.2517920000e+00  1.5838480000e+00  7.1573000000e-02  4.1720800000e-01  4.4129300000e-01 -7.8009700000e-01 -9.4686800000e-01 -6.8503900000e-01 -5.5146000000e-02 -8.0422000000e-01 -1.2935850000e+00 -1.5420310000e+00 -5.7290300000e-01 -1.1275760000e+00
-ENERGY -1.526609896237e+02
-FORCES -7.2708000000e-03 -6.4075000000e-03 -8.1290000000e-04 -6.0450000000e-04 -1.5852000000e-03 -3.1151000000e-03  6.9308000000e-03  8.0743000000e-03  2.2079000000e-03  1.3930000000e-03 -6.1800000000e-05 -5.8440000000e-03 -4.8083000000e-03  7.7050000000e-04  4.5657000000e-03  4.3598000000e-03 -7.9050000000e-04  2.9984000000e-03
-
-JOB 18
-COORDS  1.2102340000e+00 -6.2428300000e-01 -1.9244100000e-01  1.7909750000e+00 -3.9140600000e-01 -9.1683000000e-01  9.8279800000e-01 -1.5402560000e+00 -3.5212700000e-01 -1.2720700000e+00  7.2550600000e-01  2.6596500000e-01 -3.2219900000e-01  6.1098900000e-01  2.3658000000e-01 -1.6244400000e+00 -1.2008600000e-01 -1.1600000000e-02
-ENERGY -1.526591616847e+02
-FORCES -9.0920000000e-04 -2.6168000000e-03 -3.1036000000e-03 -3.2504000000e-03 -1.3854000000e-03  3.4555000000e-03  7.8060000000e-04  4.5264000000e-03  6.5800000000e-05  9.8406000000e-03 -7.9306000000e-03 -2.5722000000e-03 -6.0710000000e-03  5.5721000000e-03  1.3793000000e-03 -3.9060000000e-04  1.8343000000e-03  7.7520000000e-04
-
-JOB 19
-COORDS -2.8143400000e-01  4.6242000000e-01  1.3870920000e+00 -1.0600410000e+00  5.5226400000e-01  8.3760900000e-01  4.5197000000e-01  5.1145200000e-01  7.7394700000e-01  2.8607300000e-01 -4.8972400000e-01 -1.2450680000e+00  4.4479200000e-01  3.7782100000e-01 -1.6170980000e+00  1.5154800000e-01 -1.0558290000e+00 -2.0051070000e+00
-ENERGY -1.526547664618e+02
-FORCES  3.3150000000e-04 -5.5093000000e-03 -1.0815200000e-02  9.7120000000e-04  2.0830000000e-03  3.2912000000e-03 -3.9630000000e-04  4.5146000000e-03  2.5084000000e-03  2.3800000000e-05 -6.7020000000e-04 -3.2029000000e-03 -9.6700000000e-04 -3.6039000000e-03  4.8022000000e-03  3.6900000000e-05  3.1859000000e-03  3.4163000000e-03
-
-JOB 20
-COORDS  4.9484800000e-01  7.3848100000e-01 -1.1669750000e+00 -3.7230000000e-03  1.3023000000e-01 -6.2136700000e-01  1.1027430000e+00  1.8158400000e-01 -1.6533510000e+00 -4.8081100000e-01 -6.2361800000e-01  1.1344880000e+00 -5.5031000000e-02 -1.4279640000e+00  1.4310890000e+00 -1.3693890000e+00 -6.7874100000e-01  1.4860890000e+00
-ENERGY -1.526596896274e+02
-FORCES -2.4673000000e-03 -6.4798000000e-03  7.2678000000e-03  2.6200000000e-03  3.6160000000e-03 -8.8693000000e-03 -1.8938000000e-03  1.0728000000e-03  2.3177000000e-03 -3.2990000000e-04 -1.5560000000e-03  2.6130000000e-03 -2.6149000000e-03  3.6565000000e-03 -1.7173000000e-03  4.6861000000e-03 -3.0950000000e-04 -1.6119000000e-03
-
-JOB 21
-COORDS -1.2858820000e+00  5.3950400000e-01  1.8669600000e-01 -1.2890240000e+00  1.4917470000e+00  8.9455000000e-02 -1.8759530000e+00  2.2631500000e-01 -4.9884100000e-01  1.3690590000e+00 -5.4820200000e-01 -1.7773900000e-01  1.1808500000e+00 -1.3852210000e+00  2.4677000000e-01  5.7266100000e-01 -3.1840000000e-02 -5.3831000000e-02
-ENERGY -1.526612459920e+02
-FORCES -3.0980000000e-03  1.2654000000e-03 -3.3360000000e-03  1.0303000000e-03 -5.4581000000e-03 -2.9180000000e-04  2.8173000000e-03  2.0614000000e-03  3.6363000000e-03 -1.1353400000e-02  1.6341000000e-03  3.8064000000e-03  8.8640000000e-04  1.8520000000e-03 -1.7267000000e-03  9.7175000000e-03 -1.3548000000e-03 -2.0882000000e-03
-
-JOB 22
-COORDS -9.3070000000e-01  6.4603800000e-01  7.8901700000e-01 -6.5672400000e-01  1.5511900000e+00  9.3689300000e-01 -1.7737250000e+00  5.7428800000e-01  1.2366700000e+00  9.5109700000e-01 -6.7871500000e-01 -8.8989900000e-01  6.8185300000e-01 -1.9106100000e-01 -1.1148200000e-01  1.4594870000e+00 -1.4143120000e+00 -5.4833300000e-01
-ENERGY -1.526579848194e+02
-FORCES -3.9458000000e-03  3.4240000000e-04  2.4840000000e-04  2.2300000000e-05 -5.4444000000e-03 -8.2880000000e-04  3.5509000000e-03  1.7767000000e-03 -1.6576000000e-03 -5.0549000000e-03  1.3585000000e-03  7.0218000000e-03  7.6962000000e-03 -5.4610000000e-04 -4.1553000000e-03 -2.2686000000e-03  2.5129000000e-03 -6.2850000000e-04
-
-JOB 23
-COORDS  1.3416220000e+00  7.5055000000e-02  5.1516200000e-01  1.0456530000e+00  4.7294700000e-01  1.3338910000e+00  1.4649720000e+00 -8.4984100000e-01  7.2866500000e-01 -1.3911490000e+00 -2.4839000000e-02 -5.5360200000e-01 -5.4277400000e-01 -5.9030000000e-02 -1.1164800000e-01 -1.2189560000e+00 -3.6791800000e-01 -1.4304590000e+00
-ENERGY -1.526597657463e+02
-FORCES  2.9537000000e-03 -8.0600000000e-04  4.9058000000e-03 -7.0210000000e-04 -3.3257000000e-03 -5.8307000000e-03 -2.8621000000e-03  5.1060000000e-03 -2.0328000000e-03  1.1483600000e-02  2.4620000000e-04 -5.4390000000e-04 -1.0004300000e-02 -1.6555000000e-03  7.4910000000e-04 -8.6890000000e-04  4.3500000000e-04  2.7524000000e-03
-
-JOB 24
-COORDS  9.0616500000e-01 -1.0354580000e+00 -2.2921300000e-01  1.2654870000e+00 -1.1996360000e+00 -1.1010870000e+00  1.6006150000e+00 -1.3060470000e+00  3.7141400000e-01 -9.9164600000e-01  1.1112530000e+00  2.0351600000e-01 -1.4501140000e+00  3.2914300000e-01  5.1067100000e-01 -1.1292000000e-01  1.0359680000e+00  5.7554400000e-01
-ENERGY -1.526557681787e+02
-FORCES  2.2613000000e-03 -9.2980000000e-04 -4.2422000000e-03 -9.4230000000e-04 -4.6000000000e-06  4.4123000000e-03 -3.9683000000e-03  2.9609000000e-03 -2.0227000000e-03  6.6372000000e-03 -1.0163100000e-02  1.5980000000e-04 -9.2690000000e-04  3.8735000000e-03 -8.0000000000e-06 -3.0610000000e-03  4.2630000000e-03  1.7007000000e-03
-
-JOB 25
-COORDS -1.2967100000e-01  1.2387300000e+00 -6.9335500000e-01  3.8957400000e-01  1.0785590000e+00 -1.4813660000e+00 -1.0210150000e+00  1.3712620000e+00 -1.0161150000e+00  1.1093800000e-01 -1.2460750000e+00  8.0324100000e-01 -3.2084000000e-02 -6.7904500000e-01  4.5445000000e-02  9.5782900000e-01 -1.6599770000e+00  6.3683400000e-01
-ENERGY -1.526576510708e+02
-FORCES -1.6026000000e-03  3.7918000000e-03 -3.0379000000e-03 -2.8777000000e-03 -2.0894000000e-03  5.2465000000e-03  5.0293000000e-03 -2.0240000000e-03  1.6072000000e-03  1.6568000000e-03  8.0923000000e-03 -5.0497000000e-03  5.4850000000e-04 -9.8256000000e-03  1.5703000000e-03 -2.7542000000e-03  2.0549000000e-03 -3.3630000000e-04
-
-JOB 26
-COORDS -2.7128600000e-01  1.3053300000e+00  5.1501300000e-01 -1.4164300000e-01  1.4862900000e+00  1.4459690000e+00  5.3144300000e-01  1.6157990000e+00  9.6125000000e-02  1.9381700000e-01 -1.3449230000e+00 -6.1139500000e-01  1.0528770000e+00 -1.5578180000e+00 -2.4680800000e-01 -2.8328800000e-01 -9.4548000000e-01  1.1596300000e-01
-ENERGY -1.526567515105e+02
-FORCES  5.1310000000e-03  2.5962000000e-03 -2.1820000000e-03 -1.9420000000e-04 -3.0571000000e-03 -4.4091000000e-03 -3.3231000000e-03 -3.3710000000e-04  3.4917000000e-03 -7.2890000000e-04  6.6274000000e-03  6.4369000000e-03 -2.5656000000e-03  1.4541000000e-03 -1.4577000000e-03  1.6809000000e-03 -7.2836000000e-03 -1.8797000000e-03
-
-JOB 27
-COORDS -1.0577260000e+00  8.6579100000e-01  4.7255400000e-01 -1.1340980000e+00  1.0118640000e+00  1.4154550000e+00 -1.5775850000e+00  7.8939000000e-02  3.0871900000e-01  1.0788870000e+00 -8.6877000000e-01 -4.5083900000e-01  1.7813180000e+00 -9.5461200000e-01 -1.0953960000e+00  5.1999300000e-01 -1.7265600000e-01 -7.9623100000e-01
-ENERGY -1.526576471998e+02
-FORCES  2.5550000000e-04 -3.9876000000e-03  5.9952000000e-03 -1.2219000000e-03 -2.7060000000e-04 -3.6953000000e-03  2.9564000000e-03  4.0318000000e-03 -8.9730000000e-04 -1.7549000000e-03  5.6780000000e-03 -1.0736000000e-03 -3.0941000000e-03  1.3855000000e-03  2.5944000000e-03  2.8590000000e-03 -6.8372000000e-03 -2.9234000000e-03
-
-JOB 28
-COORDS  4.3037500000e-01  1.2301040000e+00  6.5694600000e-01 -3.0550000000e-01  9.6096300000e-01  1.2067490000e+00  1.1284780000e+00  1.4412600000e+00  1.2768630000e+00 -3.7238400000e-01 -1.2655960000e+00 -7.0480500000e-01 -1.2567410000e+00 -1.5479080000e+00 -9.3813900000e-01 -3.9951900000e-01 -3.1116000000e-01 -7.7224700000e-01
-ENERGY -1.526573846653e+02
-FORCES  2.1107000000e-03 -2.7481000000e-03  5.4994000000e-03  2.2775000000e-03  1.9189000000e-03 -3.9790000000e-03 -3.4764000000e-03 -3.6180000000e-04 -1.6281000000e-03  4.1330000000e-04  5.3569000000e-03 -1.1925000000e-03  3.2658000000e-03  2.1789000000e-03  2.0801000000e-03 -4.5909000000e-03 -6.3448000000e-03 -7.7990000000e-04
-
-JOB 29
-COORDS  1.7813700000e-01  1.4926150000e+00  3.5919700000e-01  5.9280000000e-03  5.5897300000e-01  4.8120800000e-01  2.8796300000e-01  1.5948570000e+00 -5.8616900000e-01 -1.8233000000e-01 -1.4070760000e+00 -2.5938000000e-01  5.4250200000e-01 -1.9945470000e+00 -4.7322100000e-01 -7.6788300000e-01 -1.4636630000e+00 -1.0144670000e+00
-ENERGY -1.526602295954e+02
-FORCES -3.4710000000e-04 -9.5175000000e-03 -4.2801000000e-03  2.0390000000e-04  8.3688000000e-03  2.4121000000e-03 -4.7540000000e-04  8.5390000000e-04  2.3090000000e-03  9.5490000000e-04 -2.8978000000e-03 -3.7034000000e-03 -3.8961000000e-03  2.5774000000e-03  1.1420000000e-04  3.5599000000e-03  6.1510000000e-04  3.1482000000e-03
-
-JOB 30
-COORDS  1.0884040000e+00  1.1104580000e+00 -2.0380900000e-01  7.2939700000e-01  2.4529200000e-01 -4.0086800000e-01  4.4136000000e-01  1.5124480000e+00  3.7582000000e-01 -9.6543400000e-01 -1.0776920000e+00  1.6279300000e-01 -1.2724700000e+00 -1.3820030000e+00  1.0168170000e+00 -1.7639050000e+00 -8.3993800000e-01 -3.0853400000e-01
-ENERGY -1.526595691530e+02
-FORCES -7.6484000000e-03 -6.3477000000e-03  3.1380000000e-03  4.9489000000e-03  5.2142000000e-03 -2.5890000000e-03  2.4395000000e-03  9.0110000000e-04 -1.5189000000e-03 -4.1318000000e-03 -1.0466000000e-03  2.3700000000e-03  4.2100000000e-04  1.8273000000e-03 -4.1030000000e-03  3.9708000000e-03 -5.4830000000e-04  2.7028000000e-03
-
-JOB 31
-COORDS -7.3711000000e-02  1.3459000000e-02 -1.4337820000e+00 -8.4053300000e-01 -2.3786500000e-01 -1.9486140000e+00  6.5994900000e-01 -6.0848000000e-02 -2.0440710000e+00  1.3591300000e-01  1.9786000000e-02  1.5208980000e+00 -7.3178300000e-01  6.3187000000e-02  1.9227090000e+00 -2.5945000000e-02 -3.0345400000e-01  6.3458500000e-01
-ENERGY -1.526598035269e+02
-FORCES  1.4135000000e-03  2.8520000000e-04 -4.7564000000e-03  3.6502000000e-03  1.0084000000e-03  2.7762000000e-03 -4.2288000000e-03  1.8330000000e-04  1.9660000000e-03 -3.2368000000e-03  8.3700000000e-05 -7.7945000000e-03  2.4902000000e-03 -3.1850000000e-04 -1.7863000000e-03 -8.8200000000e-05 -1.2421000000e-03  9.5951000000e-03
-
-JOB 32
-COORDS -1.4611300000e-01 -1.4625820000e+00 -2.5872000000e-01  5.2839500000e-01 -2.0427360000e+00  9.4399000000e-02  1.7735400000e-01 -1.2183550000e+00 -1.1258730000e+00  5.8666000000e-02  1.5298120000e+00  2.9588700000e-01  9.9757700000e-01  1.5166760000e+00  1.1012700000e-01 -1.9246400000e-01  6.0671700000e-01  3.2846700000e-01
-ENERGY -1.526597819354e+02
-FORCES  3.6577000000e-03 -4.0634000000e-03 -2.9925000000e-03 -2.7544000000e-03  3.3245000000e-03 -2.2437000000e-03 -8.0350000000e-04 -1.0000000000e-06  5.6723000000e-03  1.6422000000e-03 -8.6194000000e-03  2.3890000000e-04 -2.8734000000e-03  4.5700000000e-05 -1.3630000000e-04  1.1314000000e-03  9.3136000000e-03 -5.3880000000e-04
-
-JOB 33
-COORDS -6.0883300000e-01  1.3818200000e-01  1.3250620000e+00 -9.1185700000e-01  2.4977800000e-01  2.2261470000e+00 -1.3378550000e+00  4.4644100000e-01  7.8679200000e-01  6.2978000000e-01 -1.2696300000e-01 -1.3970240000e+00  6.2348200000e-01  5.2460000000e-02 -4.5681100000e-01  1.2284470000e+00 -8.6724700000e-01 -1.4960660000e+00
-ENERGY -1.526604480053e+02
-FORCES -4.6709000000e-03  1.1971000000e-03  2.1150000000e-03 -3.1500000000e-05 -5.8670000000e-04 -4.1396000000e-03  4.3629000000e-03 -8.4350000000e-04  3.4056000000e-03  1.6688000000e-03 -2.5798000000e-03  6.7527000000e-03  4.0950000000e-04  2.5400000000e-04 -8.3716000000e-03 -1.7388000000e-03  2.5589000000e-03  2.3780000000e-04
-
-JOB 34
-COORDS  2.4602200000e-01  3.9444200000e-01  1.5204850000e+00  1.0171800000e+00  3.6888300000e-01  9.5401000000e-01 -1.1728700000e-01 -4.8976400000e-01  1.4713160000e+00 -3.0767900000e-01 -3.3493100000e-01 -1.4290030000e+00  4.2376400000e-01 -9.4624900000e-01 -1.5156790000e+00 -3.5178100000e-01  1.0820700000e-01 -2.2763010000e+00
-ENERGY -1.526531347607e+02
-FORCES -1.0499000000e-03 -3.7018000000e-03 -8.0508000000e-03 -5.1300000000e-04 -3.3130000000e-04  3.6469000000e-03  2.4110000000e-03  2.3389000000e-03  2.2692000000e-03  1.3371000000e-03  5.4250000000e-04 -4.2533000000e-03 -2.6857000000e-03  3.1705000000e-03  2.5278000000e-03  5.0050000000e-04 -2.0189000000e-03  3.8602000000e-03
-
-JOB 35
-COORDS  8.6827200000e-01  1.3212030000e+00  2.2007000000e-02  2.9058000000e-01  6.1772700000e-01  3.1802600000e-01  1.4109930000e+00  1.5228200000e+00  7.8426500000e-01 -8.5576100000e-01 -1.2746400000e+00 -1.3730500000e-01 -4.0186600000e-01 -1.9570360000e+00  3.5721100000e-01 -1.5294330000e+00 -9.5223100000e-01  4.6140200000e-01
-ENERGY -1.526572025619e+02
-FORCES -2.0052000000e-03 -5.3607000000e-03  1.7022000000e-03  3.4042000000e-03  7.9258000000e-03  3.1831000000e-03 -2.4365000000e-03 -1.6972000000e-03 -2.5879000000e-03 -2.8087000000e-03 -5.7326000000e-03  1.7923000000e-03 -2.0396000000e-03  4.4245000000e-03 -1.7492000000e-03  5.8857000000e-03  4.4020000000e-04 -2.3405000000e-03
-
-JOB 36
-COORDS -1.6995400000e-01  1.5199950000e+00  1.3287000000e-01 -4.1658700000e-01  2.3774600000e+00  4.7950700000e-01  5.9550300000e-01  1.6937290000e+00 -4.1496500000e-01  1.8047500000e-01 -1.6056970000e+00 -1.6427100000e-01  2.0017000000e-02 -1.8903320000e+00  7.3543400000e-01 -4.0254000000e-01 -8.5644700000e-01 -2.8653600000e-01
-ENERGY -1.526589738341e+02
-FORCES  3.1155000000e-03  4.8510000000e-03 -4.5500000000e-04  1.7578000000e-03 -3.4908000000e-03 -1.3960000000e-03 -4.2473000000e-03  4.5800000000e-05  2.2228000000e-03 -3.5328000000e-03  5.2377000000e-03  4.4234000000e-03  6.0200000000e-04  1.4600000000e-05 -3.1444000000e-03  2.3047000000e-03 -6.6583000000e-03 -1.6508000000e-03
-
-JOB 37
-COORDS -1.2772060000e+00 -3.3088400000e-01 -8.8565600000e-01 -1.7706520000e+00 -9.5114700000e-01 -1.4223280000e+00 -3.7392100000e-01 -6.4515500000e-01 -9.2492600000e-01  1.2994040000e+00  3.7491000000e-01  8.8161100000e-01  8.0568900000e-01  1.1823010000e+00  1.0251250000e+00  8.9548000000e-01 -2.6147500000e-01  1.4716030000e+00
-ENERGY -1.526583701182e+02
-FORCES  3.4134000000e-03 -2.5829000000e-03 -2.4784000000e-03  2.5460000000e-03  2.1675000000e-03  2.4132000000e-03 -6.7064000000e-03 -8.4100000000e-04 -1.0732000000e-03 -4.8625000000e-03  2.5992000000e-03  4.3229000000e-03  3.2926000000e-03 -3.2140000000e-03  4.3100000000e-05  2.3168000000e-03  1.8712000000e-03 -3.2276000000e-03
-
-JOB 38
-COORDS -5.4034100000e-01 -4.2957900000e-01  1.4310900000e+00 -1.3525030000e+00  5.6035000000e-02  1.5753270000e+00  1.2147000000e-01  5.8793000000e-02  1.9207130000e+00  6.0151200000e-01  3.9108400000e-01 -1.4250300000e+00 -2.8288200000e-01  7.5689000000e-02 -1.2390060000e+00  6.6546800000e-01  3.7684500000e-01 -2.3799840000e+00
-ENERGY -1.526561521784e+02
-FORCES  2.1008000000e-03  4.4514000000e-03  3.8101000000e-03  3.2410000000e-03 -2.1241000000e-03 -2.1080000000e-03 -3.7232000000e-03 -2.3589000000e-03 -6.5300000000e-04 -3.9515000000e-03 -2.8274000000e-03 -7.0490000000e-04  2.8625000000e-03  3.0067000000e-03 -4.4772000000e-03 -5.2950000000e-04 -1.4770000000e-04  4.1330000000e-03
-
-JOB 39
-COORDS -9.8859900000e-01 -1.4079240000e+00  2.2915600000e-01 -5.0647500000e-01 -1.3935270000e+00  1.0559460000e+00 -5.1195100000e-01 -8.0106200000e-01 -3.3719900000e-01  8.7151100000e-01  1.3319570000e+00 -2.4963300000e-01  1.5147350000e+00  1.4525620000e+00 -9.4816600000e-01  1.2192650000e+00  1.8355240000e+00  4.8638300000e-01
-ENERGY -1.526584899170e+02
-FORCES  5.3956000000e-03  5.7775000000e-03  8.2720000000e-04 -2.1989000000e-03 -1.1905000000e-03 -1.9445000000e-03 -3.5785000000e-03 -6.1002000000e-03  4.4680000000e-04  4.3568000000e-03  4.6205000000e-03  8.7750000000e-04 -2.9994000000e-03 -8.9410000000e-04  3.2234000000e-03 -9.7570000000e-04 -2.2133000000e-03 -3.4304000000e-03
-
-JOB 40
-COORDS  1.0531590000e+00 -1.1907050000e+00  3.8320600000e-01  1.9590420000e+00 -1.2454740000e+00  6.8752400000e-01  5.8555200000e-01 -1.8447790000e+00  9.0259300000e-01 -1.1123940000e+00  1.2424380000e+00 -4.9027700000e-01 -1.8050600000e-01  1.0720380000e+00 -3.5324000000e-01 -1.4833740000e+00  1.2709610000e+00  3.9164800000e-01
-ENERGY -1.526572376761e+02
-FORCES  1.3104000000e-03 -5.2663000000e-03  3.0881000000e-03 -4.2099000000e-03  7.3420000000e-04 -1.2847000000e-03  2.6116000000e-03  2.8780000000e-03 -1.6942000000e-03  4.3665000000e-03 -3.1982000000e-03  4.3986000000e-03 -4.6519000000e-03  4.6790000000e-03 -1.4162000000e-03  5.7320000000e-04  1.7340000000e-04 -3.0915000000e-03
-
-JOB 41
-COORDS  1.4708740000e+00  8.2726900000e-01 -3.7204900000e-01  9.6254700000e-01  7.6984400000e-01 -1.1810840000e+00  1.9245950000e+00 -1.3529000000e-02 -3.1351000000e-01 -1.4704240000e+00 -7.4419000000e-01  4.6697100000e-01 -2.1476940000e+00 -1.3108910000e+00  9.7665000000e-02 -7.2624200000e-01 -8.4099800000e-01 -1.2721100000e-01
-ENERGY -1.526529915363e+02
-FORCES  1.4420000000e-03 -1.2694000000e-03 -2.7696000000e-03  1.5262000000e-03 -1.6255000000e-03  4.2828000000e-03 -3.5605000000e-03  3.2048000000e-03 -5.2030000000e-04  1.0718000000e-03 -1.8434000000e-03 -2.9443000000e-03  3.2440000000e-03  2.6988000000e-03  1.3314000000e-03 -3.7237000000e-03 -1.1652000000e-03  6.2000000000e-04
-
-JOB 42
-COORDS  2.9393100000e-01  1.5790840000e+00 -4.7246900000e-01  2.7851500000e-01  1.9894770000e+00 -1.3370920000e+00  1.2097360000e+00  1.6303480000e+00 -1.9878200000e-01 -3.5704200000e-01 -1.6617490000e+00  5.5053200000e-01 -9.8503800000e-01 -9.9603800000e-01  2.7002700000e-01  4.6163000000e-01 -1.4160810000e+00  1.1965600000e-01
-ENERGY -1.526571990663e+02
-FORCES  4.0489000000e-03  4.1128000000e-03 -2.0293000000e-03  1.2700000000e-04 -2.1355000000e-03  3.8537000000e-03 -3.9478000000e-03 -1.0082000000e-03 -1.7778000000e-03  6.6940000000e-04  6.7855000000e-03 -3.6319000000e-03  6.5540000000e-04 -5.0125000000e-03  1.5324000000e-03 -1.5529000000e-03 -2.7420000000e-03  2.0530000000e-03
-
-JOB 43
-COORDS  1.5126560000e+00  2.1278000000e-01 -7.8420600000e-01  8.3866400000e-01  8.6915900000e-01 -9.6065500000e-01  1.7005370000e+00 -1.7414500000e-01 -1.6393210000e+00 -1.4963920000e+00 -2.7928700000e-01  8.9630400000e-01 -2.1426770000e+00  1.7435100000e-01  3.5523100000e-01 -6.5599900000e-01  9.3062000000e-02  6.2923100000e-01
-ENERGY -1.526545336736e+02
-FORCES  1.6030000000e-04 -5.4000000000e-05 -6.5999000000e-03  7.7270000000e-04 -4.1140000000e-03  3.4966000000e-03 -4.6250000000e-04  2.3943000000e-03  3.6474000000e-03  2.4430000000e-03  1.8467000000e-03 -2.7286000000e-03  3.2443000000e-03 -1.5296000000e-03  1.6438000000e-03 -6.1579000000e-03  1.4565000000e-03  5.4060000000e-04
-
-JOB 44
-COORDS -3.3767800000e-01 -1.6474240000e+00  3.1049100000e-01 -9.8895200000e-01 -2.3422290000e+00  2.1395000000e-01 -6.7600100000e-01 -1.0979110000e+00  1.0174600000e+00  4.3432500000e-01  1.6983760000e+00 -3.6634600000e-01 -4.6484300000e-01  1.5297400000e+00 -6.4793300000e-01  5.7804900000e-01  1.0874370000e+00  3.5637700000e-01
-ENERGY -1.526539359722e+02
-FORCES -4.3760000000e-03 -2.8908000000e-03  2.3852000000e-03  2.7906000000e-03  3.2287000000e-03  4.0850000000e-04  2.5461000000e-03 -2.7960000000e-04 -3.9500000000e-03 -2.3875000000e-03 -5.7149000000e-03  1.9300000000e-04  2.9707000000e-03  1.9884000000e-03  1.7957000000e-03 -1.5438000000e-03  3.6682000000e-03 -8.3250000000e-04
-
-JOB 45
-COORDS  1.3726640000e+00 -3.6052400000e-01 -1.0698020000e+00  7.2799700000e-01 -1.0537880000e+00 -9.2830600000e-01  1.1408760000e+00  1.2809000000e-02 -1.9201710000e+00 -1.3278910000e+00  3.6441700000e-01  1.0415440000e+00 -2.0020670000e+00  9.0979000000e-02  1.6635970000e+00 -6.7223600000e-01  8.0945000000e-01  1.5784750000e+00
-ENERGY -1.526561199898e+02
-FORCES -5.7282000000e-03 -9.9350000000e-04 -2.0706000000e-03  4.3136000000e-03  1.5198000000e-03 -1.7412000000e-03  1.4359000000e-03 -1.5087000000e-03  2.9242000000e-03  9.6140000000e-04  1.9577000000e-03  5.0203000000e-03  2.9544000000e-03  8.3190000000e-04 -2.8058000000e-03 -3.9371000000e-03 -1.8072000000e-03 -1.3269000000e-03
-
-JOB 46
-COORDS -8.3481600000e-01 -1.1199570000e+00 -1.1048950000e+00 -1.9219500000e-01 -1.5180560000e+00 -5.1770800000e-01 -1.3687540000e+00 -1.8537780000e+00 -1.4092770000e+00  7.8767900000e-01  1.1508560000e+00  1.1326080000e+00  1.5380770000e+00  7.5585500000e-01  6.8863800000e-01  7.9875600000e-01  2.0665580000e+00  8.5404200000e-01
-ENERGY -1.526536867466e+02
-FORCES  1.2790000000e-04 -4.1858000000e-03  2.6097000000e-03 -1.6553000000e-03  8.1080000000e-04 -3.6072000000e-03  2.1132000000e-03  3.2121000000e-03  1.2630000000e-03  1.9613000000e-03  3.0770000000e-03 -4.2356000000e-03 -3.0244000000e-03  5.0330000000e-04  2.2498000000e-03  4.7730000000e-04 -3.4174000000e-03  1.7204000000e-03
-
-JOB 47
-COORDS -8.0351100000e-01 -1.2497640000e+00 -1.1064150000e+00 -1.5158670000e+00 -1.5496520000e+00 -5.4174900000e-01 -5.6617600000e-01 -3.9059000000e-01 -7.5752400000e-01  8.0755100000e-01  1.1685380000e+00  1.0381830000e+00  9.6036600000e-01  1.4735630000e+00  1.9325200000e+00  1.0912690000e+00  1.8961280000e+00  4.8469500000e-01
-ENERGY -1.526573057659e+02
-FORCES -5.4590000000e-04  3.1398000000e-03  5.6609000000e-03  2.1903000000e-03  6.5170000000e-04 -2.4424000000e-03 -2.5401000000e-03 -3.9905000000e-03 -4.6838000000e-03  3.2288000000e-03  4.4940000000e-03  3.2887000000e-03 -3.9980000000e-04 -8.2740000000e-04 -3.9193000000e-03 -1.9334000000e-03 -3.4676000000e-03  2.0958000000e-03
-
-JOB 48
-COORDS  1.7659800000e-01  1.8373900000e+00 -1.9192900000e-01  3.6652300000e-01  2.6251500000e+00 -7.0143400000e-01  6.5595200000e-01  1.1404460000e+00 -6.3994800000e-01 -2.2129000000e-01 -1.8295200000e+00  1.7626500000e-01 -3.3166300000e-01 -2.6676730000e+00  6.2520800000e-01  1.1884000000e-02 -1.2139310000e+00  8.7118300000e-01
-ENERGY -1.526560383869e+02
-FORCES  2.1763000000e-03  5.2170000000e-04 -5.1182000000e-03 -7.0470000000e-04 -3.1262000000e-03  1.9627000000e-03 -1.4116000000e-03  3.6833000000e-03  3.2511000000e-03 -6.3380000000e-04 -1.1079000000e-03  5.4130000000e-03  3.8390000000e-04  3.3890000000e-03 -1.7145000000e-03  1.9010000000e-04 -3.3598000000e-03 -3.7941000000e-03
-
-JOB 49
-COORDS  9.5086800000e-01 -3.0495800000e-01 -1.5298770000e+00  1.2232030000e+00  2.5797500000e-01 -2.2545640000e+00  8.4269200000e-01 -1.1698770000e+00 -1.9254080000e+00 -9.0536700000e-01  3.2800700000e-01  1.5648150000e+00 -1.1770910000e+00 -2.7346700000e-01  2.2580880000e+00 -1.6961690000e+00  8.2454400000e-01  1.3543040000e+00
-ENERGY -1.526520549259e+02
-FORCES  5.3780000000e-04 -1.4053000000e-03 -4.0502000000e-03 -1.3173000000e-03 -2.1608000000e-03  3.1609000000e-03  4.9260000000e-04  3.5213000000e-03  1.5892000000e-03 -4.1173000000e-03 -3.9530000000e-04  1.0892000000e-03  1.2769000000e-03  2.3098000000e-03 -2.9440000000e-03  3.1274000000e-03 -1.8697000000e-03  1.1550000000e-03
-
-JOB 50
-COORDS -1.6158320000e+00  9.2716000000e-02  1.0333350000e+00 -1.7108370000e+00 -2.7116000000e-01  1.5310800000e-01 -1.9508270000e+00  9.8646000000e-01  9.6100100000e-01  1.6709310000e+00 -1.7041400000e-01 -9.7675100000e-01  1.9586260000e+00  6.6680200000e-01 -1.3408010000e+00  7.5881900000e-01 -2.2689000000e-02 -7.2683100000e-01
-ENERGY -1.526543048395e+02
-FORCES -4.3866000000e-03  1.7544000000e-03 -2.1115000000e-03  2.7803000000e-03  2.5414000000e-03  3.4051000000e-03  2.0124000000e-03 -4.0323000000e-03 -8.3300000000e-05 -2.3841000000e-03  4.2595000000e-03  1.2354000000e-03 -1.2900000000e-03 -3.3935000000e-03  1.2965000000e-03  3.2681000000e-03 -1.1295000000e-03 -3.7421000000e-03
-
-JOB 51
-COORDS -1.2812810000e+00 -7.6836400000e-01 -1.2670390000e+00 -5.2886800000e-01 -3.3820800000e-01 -8.6074900000e-01 -2.0207670000e+00 -1.9251200000e-01 -1.0726520000e+00  1.3397590000e+00  6.6589600000e-01  1.2097540000e+00  4.5314500000e-01  4.0452500000e-01  1.4584150000e+00  1.3472680000e+00  1.6174880000e+00  1.3129480000e+00
-ENERGY -1.526552476730e+02
-FORCES  1.1680000000e-03  4.0299000000e-03  1.1567000000e-03 -5.6345000000e-03 -2.2001000000e-03 -9.8070000000e-04  3.1995000000e-03 -2.2880000000e-03 -1.4050000000e-04 -1.8493000000e-03  3.4070000000e-03  4.0647000000e-03  3.5199000000e-03  1.4358000000e-03 -3.4270000000e-03 -4.0360000000e-04 -4.3846000000e-03 -6.7320000000e-04
-
-JOB 52
-COORDS  5.7354100000e-01 -1.6395720000e+00 -7.4192500000e-01  1.1835280000e+00 -1.6530650000e+00 -1.4794650000e+00  3.3495600000e-01 -2.5572690000e+00 -6.1099900000e-01 -5.4257400000e-01  1.7354030000e+00  8.0711500000e-01 -1.3988490000e+00  2.0031250000e+00  4.7342400000e-01 -5.2046300000e-01  7.8720300000e-01  6.7803800000e-01
-ENERGY -1.526571114232e+02
-FORCES  2.7530000000e-03 -4.3170000000e-03 -3.2996000000e-03 -2.7146000000e-03 -6.1710000000e-04  2.9998000000e-03  8.8910000000e-04  3.9403000000e-03 -6.2730000000e-04 -2.5006000000e-03 -4.1761000000e-03 -2.5461000000e-03  3.1083000000e-03 -7.8480000000e-04  1.3424000000e-03 -1.5352000000e-03  5.9547000000e-03  2.1309000000e-03
-
-JOB 53
-COORDS  8.4274100000e-01  1.6523360000e+00 -6.8115400000e-01 -9.3781000000e-02  1.8444150000e+00 -6.3356500000e-01  9.8791300000e-01  1.3893820000e+00 -1.5900060000e+00 -7.8522900000e-01 -1.5927590000e+00  6.9301200000e-01 -1.6060930000e+00 -1.9631270000e+00  1.0174230000e+00 -1.0798000000e-01 -2.1809860000e+00  1.0270100000e+00
-ENERGY -1.526541584769e+02
-FORCES -4.3386000000e-03 -1.9868000000e-03 -2.8180000000e-03  3.8924000000e-03  6.9120000000e-04 -6.9860000000e-04 -1.3790000000e-04  1.4575000000e-03  3.3096000000e-03  5.2640000000e-04 -3.9459000000e-03  3.1744000000e-03  3.2669000000e-03  1.8857000000e-03 -1.5443000000e-03 -3.2093000000e-03  1.8983000000e-03 -1.4231000000e-03
-
-JOB 54
-COORDS -9.6505300000e-01 -1.5166980000e+00 -9.6008000000e-01 -5.3413300000e-01 -1.2626210000e+00 -1.4400200000e-01 -8.7720200000e-01 -7.5017200000e-01 -1.5266060000e+00  9.4550700000e-01  1.4941930000e+00  8.8606700000e-01  3.3034200000e-01  1.6829830000e+00  1.5947010000e+00  1.4315870000e+00  7.2696800000e-01  1.1882640000e+00
-ENERGY -1.526554883080e+02
-FORCES  2.4366000000e-03  5.6107000000e-03  7.5870000000e-04 -1.6206000000e-03 -2.4574000000e-03 -2.3647000000e-03 -9.2210000000e-04 -3.9363000000e-03  1.6201000000e-03  7.8930000000e-04 -3.6320000000e-04  5.3182000000e-03  2.5798000000e-03 -1.4003000000e-03 -3.3906000000e-03 -3.2630000000e-03  2.5465000000e-03 -1.9418000000e-03
-
-JOB 55
-COORDS -1.7824010000e+00 -3.4546400000e-01 -6.7379300000e-01 -1.8887400000e+00 -8.4642300000e-01 -1.4824740000e+00 -2.1684290000e+00 -8.9976900000e-01  4.4100000000e-03  1.8561970000e+00  4.4453700000e-01  7.0714200000e-01  9.0961700000e-01  4.4886900000e-01  8.4926200000e-01  1.9929710000e+00 -2.0944200000e-01  2.1696000000e-02
-ENERGY -1.526564057998e+02
-FORCES -3.8029000000e-03 -4.3530000000e-03 -1.7685000000e-03  5.3850000000e-04  1.9406000000e-03  3.6433000000e-03  2.4296000000e-03  2.5121000000e-03 -2.7020000000e-03 -4.8561000000e-03 -2.2736000000e-03 -3.2990000000e-03  5.1964000000e-03  1.4400000000e-05  1.3529000000e-03  4.9440000000e-04  2.1595000000e-03  2.7734000000e-03
-
-JOB 56
-COORDS  1.2118000000e-01  1.2491160000e+00  1.5933350000e+00  2.8546000000e-01  6.6084000000e-01  8.5633100000e-01  6.6811700000e-01  2.0144090000e+00  1.4160800000e+00 -1.9464300000e-01 -1.2296850000e+00 -1.4966720000e+00  2.0815900000e-01 -2.0979160000e+00 -1.4841030000e+00  2.2074000000e-02 -8.7705800000e-01 -2.3597600000e+00
-ENERGY -1.526567755809e+02
-FORCES  2.1292000000e-03 -4.3900000000e-04 -4.6795000000e-03  4.6090000000e-04  4.2486000000e-03  5.0754000000e-03 -2.0040000000e-03 -2.8098000000e-03  6.6400000000e-04  1.5534000000e-03 -3.6010000000e-03 -4.8435000000e-03 -1.5458000000e-03  3.9772000000e-03 -1.7180000000e-04 -5.9360000000e-04 -1.3760000000e-03  3.9555000000e-03
-
-JOB 57
-COORDS  3.3613000000e-02  1.2280970000e+00  1.6759890000e+00 -6.6326600000e-01  8.2145800000e-01  2.1910000000e+00 -4.2573300000e-01  1.7914770000e+00  1.0532240000e+00  7.5411000000e-02 -1.2313870000e+00 -1.7094290000e+00 -3.3413200000e-01 -2.0494080000e+00 -1.4277410000e+00 -3.1571200000e-01 -5.6159700000e-01 -1.1485050000e+00
-ENERGY -1.526542222687e+02
-FORCES -4.0959000000e-03  2.0587000000e-03  1.2762000000e-03  2.9103000000e-03  1.3723000000e-03 -2.8718000000e-03  1.7975000000e-03 -3.5741000000e-03  1.9735000000e-03 -2.3244000000e-03 -4.4270000000e-04  4.5301000000e-03  1.3975000000e-03  3.2268000000e-03 -1.3127000000e-03  3.1500000000e-04 -2.6410000000e-03 -3.5954000000e-03
-
-JOB 58
-COORDS -6.3117800000e-01 -1.6907900000e-01  1.9914520000e+00 -7.9637800000e-01 -2.0004600000e-01  1.0491240000e+00 -1.4948900000e+00 -2.7530600000e-01  2.3901360000e+00  6.1717100000e-01  1.8806300000e-01 -1.9740060000e+00  1.0295450000e+00 -2.8700200000e-01 -1.2525540000e+00  1.3481330000e+00  4.7442400000e-01 -2.5216600000e+00
-ENERGY -1.526554101576e+02
-FORCES -5.0868000000e-03  7.3400000000e-05 -2.2751000000e-03  1.8105000000e-03 -8.5540000000e-04  4.4402000000e-03  3.5111000000e-03  4.0150000000e-04 -1.4431000000e-03  5.8389000000e-03 -2.7620000000e-04 -9.0100000000e-05 -3.0999000000e-03  2.0112000000e-03 -2.7220000000e-03 -2.9738000000e-03 -1.3546000000e-03  2.0900000000e-03
-
-JOB 59
-COORDS -6.4413000000e-02  1.5793700000e+00  1.3513410000e+00 -3.7711700000e-01  1.8173730000e+00  4.7852800000e-01 -5.2113000000e-01  2.1787350000e+00  1.9415980000e+00  1.2552700000e-01 -1.5658700000e+00 -1.3136680000e+00 -6.9029400000e-01 -1.8260270000e+00 -1.7414370000e+00  6.3350500000e-01 -2.3749180000e+00 -1.2534100000e+00
-ENERGY -1.526537831303e+02
-FORCES -2.9220000000e-03  2.6729000000e-03 -2.1440000000e-03  8.7120000000e-04  1.3620000000e-04  4.0945000000e-03  1.8277000000e-03 -2.5702000000e-03 -2.2989000000e-03 -8.4120000000e-04 -4.8345000000e-03 -6.5300000000e-04  3.2561000000e-03  1.4301000000e-03  1.6204000000e-03 -2.1918000000e-03  3.1655000000e-03 -6.1910000000e-04
-
-JOB 60
-COORDS  1.7218800000e+00 -5.0175900000e-01  1.0726600000e+00  1.5331010000e+00 -1.4191660000e+00  8.7527800000e-01  2.6368120000e+00 -5.0015400000e-01  1.3539580000e+00 -1.7811520000e+00  5.7984500000e-01 -1.1203130000e+00 -1.3293330000e+00  9.0640900000e-01 -3.4220800000e-01 -1.7861730000e+00 -3.7135300000e-01 -1.0134130000e+00
-ENERGY -1.526552883245e+02
-FORCES  4.1759000000e-03 -3.6639000000e-03  4.2690000000e-04  1.6840000000e-04  3.8896000000e-03  7.8470000000e-04 -3.8113000000e-03 -2.3590000000e-04 -1.1162000000e-03  2.9410000000e-03 -2.2286000000e-03  4.1382000000e-03 -3.1759000000e-03 -1.0801000000e-03 -3.5568000000e-03 -2.9810000000e-04  3.3190000000e-03 -6.7680000000e-04
-
-JOB 61
-COORDS  1.7054520000e+00  8.3749300000e-01  1.1592910000e+00  2.5933430000e+00  4.9101000000e-01  1.2477830000e+00  1.3267070000e+00  3.4410200000e-01  4.3172700000e-01 -1.7090870000e+00 -8.4723900000e-01 -1.1021070000e+00 -2.5191520000e+00 -4.1074800000e-01 -8.3847400000e-01 -1.3634390000e+00 -3.0417600000e-01 -1.8105150000e+00
-ENERGY -1.526552017522e+02
-FORCES  1.4199000000e-03 -4.1904000000e-03 -2.3906000000e-03 -3.4568000000e-03  1.4983000000e-03 -4.0240000000e-04  2.6744000000e-03  3.0232000000e-03  2.6597000000e-03 -3.3657000000e-03  3.9095000000e-03 -1.8147000000e-03  3.3492000000e-03 -1.9271000000e-03 -1.4359000000e-03 -6.2100000000e-04 -2.3134000000e-03  3.3840000000e-03
-
-JOB 62
-COORDS  3.1907900000e-01  7.2813100000e-01 -2.1763950000e+00  7.5500300000e-01 -1.1892000000e-02 -1.7538220000e+00  8.3001000000e-02  1.3113810000e+00 -1.4550640000e+00 -3.7492700000e-01 -7.5840100000e-01  2.1163700000e+00  4.8893000000e-01 -9.6519700000e-01  1.7596950000e+00 -3.5781800000e-01  1.8889700000e-01  2.2526220000e+00
-ENERGY -1.526533963973e+02
-FORCES  2.1200000000e-05 -1.0281000000e-03  4.5203000000e-03 -1.2188000000e-03  3.2719000000e-03 -1.4907000000e-03  1.4735000000e-03 -2.1734000000e-03 -2.7715000000e-03  3.4100000000e-03  2.5971000000e-03  3.8750000000e-04 -3.7457000000e-03  1.2522000000e-03  6.3060000000e-04  5.9700000000e-05 -3.9197000000e-03 -1.2762000000e-03
-
-JOB 63
-COORDS -2.2334260000e+00  2.3190700000e-01  1.8946500000e-01 -2.3985120000e+00  1.0350220000e+00  6.8341300000e-01 -2.6167740000e+00 -4.6247700000e-01  7.2529000000e-01  2.2503590000e+00 -1.7677900000e-01 -2.6773900000e-01  3.0437300000e+00 -6.0546200000e-01  5.3238000000e-02  1.5372820000e+00 -7.5011000000e-01  1.3410000000e-02
-ENERGY -1.526545341529e+02
-FORCES -2.7697000000e-03  1.3538000000e-03  4.0107000000e-03  4.3230000000e-04 -3.5749000000e-03 -1.9254000000e-03  2.0694000000e-03  2.6338000000e-03 -2.2107000000e-03 -6.1520000000e-04 -3.9753000000e-03  2.1205000000e-03 -3.2014000000e-03  1.7537000000e-03 -1.2145000000e-03  4.0846000000e-03  1.8088000000e-03 -7.8060000000e-04
-
-JOB 64
-COORDS  8.6443300000e-01 -4.9348200000e-01  2.0800140000e+00  9.9013100000e-01 -5.2607600000e-01  3.0283650000e+00 -7.3213000000e-02 -6.4152200000e-01  1.9569790000e+00 -8.1456800000e-01  5.5873300000e-01 -2.1754350000e+00 -1.6736900000e-01 -1.0643700000e-01 -1.9410960000e+00 -1.5587700000e+00  3.8280800000e-01 -1.5997220000e+00
-ENERGY -1.526540239058e+02
-FORCES -2.9598000000e-03 -3.9280000000e-04  4.1538000000e-03 -6.1660000000e-04  7.9900000000e-05 -3.9554000000e-03  3.7129000000e-03  4.1980000000e-04 -2.2070000000e-04  3.4700000000e-04 -3.2525000000e-03  3.4058000000e-03 -3.3024000000e-03  2.5677000000e-03 -1.2955000000e-03  2.8189000000e-03  5.7780000000e-04 -2.0880000000e-03
-
-JOB 65
-COORDS -8.0070500000e-01  1.3665200000e-01 -2.1524860000e+00 -8.7284700000e-01  5.9023500000e-01 -2.9923010000e+00 -1.1781260000e+00 -7.2811900000e-01 -2.3135960000e+00  7.6030600000e-01 -9.4532000000e-02  2.1914970000e+00  1.5587560000e+00  2.1883800000e-01  1.7666330000e+00  1.0587530000e+00 -7.8424600000e-01  2.7843340000e+00
-ENERGY -1.526536377691e+02
-FORCES -2.2598000000e-03 -1.8923000000e-03 -3.6161000000e-03  4.5200000000e-04 -1.8006000000e-03  3.4850000000e-03  1.6244000000e-03  3.5418000000e-03  2.8290000000e-04  4.4329000000e-03 -1.2120000000e-03 -1.5520000000e-04 -2.9126000000e-03 -1.3363000000e-03  2.3895000000e-03 -1.3370000000e-03  2.6994000000e-03 -2.3861000000e-03
-
-JOB 66
-COORDS  1.8116630000e+00 -8.4354700000e-01 -1.1266860000e+00  2.1613150000e+00 -1.7341710000e+00 -1.0990380000e+00  2.4108850000e+00 -3.6823700000e-01 -1.7022240000e+00 -1.8332730000e+00  8.7036800000e-01  1.2122840000e+00 -2.4145180000e+00  1.4984990000e+00  7.8352100000e-01 -1.7370450000e+00  1.6040700000e-01  5.7751700000e-01
-ENERGY -1.526546086740e+02
-FORCES  4.4774000000e-03 -1.4131000000e-03 -1.9429000000e-03 -1.6077000000e-03  3.6311000000e-03 -2.2570000000e-04 -2.4953000000e-03 -2.1006000000e-03  2.1998000000e-03 -9.4680000000e-04 -6.7510000000e-04 -4.8219000000e-03  2.1710000000e-03 -2.3766000000e-03  1.7928000000e-03 -1.5985000000e-03  2.9343000000e-03  2.9979000000e-03
-
-JOB 67
-COORDS  1.3883260000e+00  2.6314400000e-01 -1.9685400000e+00  1.4130750000e+00 -4.4829500000e-01 -1.3286390000e+00  2.3044250000e+00  5.1687400000e-01 -2.0808620000e+00 -1.4777370000e+00 -2.8315600000e-01  1.9756950000e+00 -1.7358760000e+00  1.6989100000e-01  1.1729850000e+00 -5.8878600000e-01  2.5838000000e-02  2.1503940000e+00
-ENERGY -1.526547314830e+02
-FORCES  4.2654000000e-03 -2.2702000000e-03  1.3813000000e-03 -2.7180000000e-04  3.5033000000e-03 -2.2697000000e-03 -3.8390000000e-03 -1.0331000000e-03  6.3350000000e-04  2.1064000000e-03  3.7225000000e-03 -2.6119000000e-03  1.0684000000e-03 -2.2077000000e-03  3.6038000000e-03 -3.3295000000e-03 -1.7147000000e-03 -7.3700000000e-04
-
-JOB 68
-COORDS -1.6166450000e+00  1.2535240000e+00  1.4911850000e+00 -1.1430720000e+00  1.1709150000e+00  6.6345600000e-01 -2.3848040000e+00  6.9233100000e-01  1.3852280000e+00  1.6093450000e+00 -1.1504050000e+00 -1.4516590000e+00  1.1925370000e+00 -1.7666450000e+00 -8.4937100000e-01  2.3769330000e+00 -1.6182480000e+00 -1.7805420000e+00
-ENERGY -1.526548355650e+02
-FORCES -9.2850000000e-04 -2.1626000000e-03 -4.2020000000e-03 -2.4719000000e-03  1.6700000000e-04  3.8907000000e-03  3.1430000000e-03  2.0508000000e-03  5.4430000000e-04  2.1915000000e-03 -4.6472000000e-03  1.0158000000e-03  1.2862000000e-03  2.7986000000e-03 -2.5964000000e-03 -3.2202000000e-03  1.7933000000e-03  1.3476000000e-03
-
-JOB 69
-COORDS  8.0688000000e-01  2.2730970000e+00 -8.5444600000e-01  1.8252900000e-01  2.7508470000e+00 -1.4004990000e+00  7.7275300000e-01  2.7164840000e+00 -6.8170000000e-03 -7.8409900000e-01 -2.3643120000e+00  8.8764300000e-01  8.4086000000e-02 -2.1552080000e+00  5.4302400000e-01 -1.3899410000e+00 -1.9019740000e+00  3.0847900000e-01
-ENERGY -1.526550077707e+02
-FORCES -2.4166000000e-03  4.3668000000e-03  1.2774000000e-03  2.4607000000e-03 -2.1591000000e-03  2.2719000000e-03  7.9200000000e-05 -1.9146000000e-03 -3.6025000000e-03  1.4256000000e-03  3.1581000000e-03 -4.0657000000e-03 -3.5716000000e-03 -1.3564000000e-03  1.6576000000e-03  2.0227000000e-03 -2.0949000000e-03  2.4613000000e-03
-
-JOB 70
-COORDS  9.3182400000e-01  5.6443300000e-01  2.3131550000e+00  2.8307300000e-01  7.4942100000e-01  2.9922230000e+00  1.6633720000e+00  1.1478690000e+00  2.5148270000e+00 -9.5553200000e-01 -6.1747700000e-01 -2.3071920000e+00 -1.4139580000e+00 -4.1795600000e-01 -3.1234450000e+00 -3.1842000000e-02 -6.5926500000e-01 -2.5547450000e+00
-ENERGY -1.526536065672e+02
-FORCES -2.0790000000e-04  3.1150000000e-03  3.4547000000e-03  2.8540000000e-03 -7.0250000000e-04 -2.5605000000e-03 -2.8646000000e-03 -2.4232000000e-03 -9.2310000000e-04  2.3455000000e-03  6.9660000000e-04 -3.8410000000e-03  1.7649000000e-03 -7.8400000000e-04  3.3518000000e-03 -3.8919000000e-03  9.8100000000e-05  5.1810000000e-04
-
-JOB 71
-COORDS -1.8564320000e+00  1.2094750000e+00 -1.7186620000e+00 -9.2642700000e-01  1.0103490000e+00 -1.8266990000e+00 -2.0927560000e+00  1.6898620000e+00 -2.5121420000e+00  1.8058790000e+00 -1.1741590000e+00  1.7402830000e+00  2.6057120000e+00 -1.3627340000e+00  2.2311380000e+00  1.3020170000e+00 -1.9869900000e+00  1.7810500000e+00
-ENERGY -1.526543956350e+02
-FORCES  3.2247000000e-03  1.1540000000e-03 -3.2958000000e-03 -4.1261000000e-03  8.5320000000e-04 -3.1700000000e-05  8.9050000000e-04 -1.9462000000e-03  3.1690000000e-03  9.6790000000e-04 -4.0962000000e-03  2.4727000000e-03 -3.2267000000e-03  7.5950000000e-04 -2.0577000000e-03  2.2697000000e-03  3.2757000000e-03 -2.5650000000e-04
-
-JOB 72
-COORDS -1.5239950000e+00 -1.5945220000e+00  1.9030460000e+00 -1.5922630000e+00 -2.1034450000e+00  1.0952280000e+00 -9.4773600000e-01 -8.6396100000e-01  1.6784610000e+00  1.4606960000e+00  1.5272010000e+00 -1.8220910000e+00  2.3597480000e+00  1.7890880000e+00 -1.6237160000e+00  1.0921960000e+00  2.2733570000e+00 -2.2950520000e+00
-ENERGY -1.526550118378e+02
-FORCES  2.3277000000e-03  1.1370000000e-03 -4.5968000000e-03  6.0700000000e-05  1.7972000000e-03  3.3984000000e-03 -2.5244000000e-03 -3.0806000000e-03  1.4085000000e-03  2.3794000000e-03  4.3328000000e-03 -1.4671000000e-03 -3.7626000000e-03 -1.0922000000e-03 -7.4360000000e-04  1.5192000000e-03 -3.0941000000e-03  2.0004000000e-03
-
-JOB 73
-COORDS  2.8727000000e-02 -2.9104940000e+00  4.1406300000e-01 -2.0042700000e-01 -2.5936080000e+00 -4.5960900000e-01  8.0061900000e-01 -2.4004370000e+00  6.5953700000e-01 -7.8725000000e-02  2.8962840000e+00 -3.3223500000e-01  2.4699100000e-01  2.0084840000e+00 -4.8040200000e-01 -7.6457000000e-02  3.3006570000e+00 -1.1998230000e+00
-ENERGY -1.526534888008e+02
-FORCES  2.1228000000e-03  3.0073000000e-03 -2.3216000000e-03  1.0975000000e-03 -9.9350000000e-04  3.5731000000e-03 -3.2421000000e-03 -1.8586000000e-03 -1.2792000000e-03  1.1848000000e-03 -1.6793000000e-03 -4.1318000000e-03 -1.1882000000e-03  3.3178000000e-03  5.6530000000e-04  2.5300000000e-05 -1.7936000000e-03  3.5942000000e-03
-
-JOB 74
-COORDS  1.9102990000e+00  2.8904800000e-01  2.6514050000e+00  1.1370320000e+00  8.4735600000e-01  2.7325360000e+00  2.5776920000e+00  8.5774100000e-01  2.2674710000e+00 -1.9241230000e+00 -3.2372000000e-01 -2.6931810000e+00 -1.0713530000e+00 -5.9635600000e-01 -2.3545280000e+00 -2.5414890000e+00 -5.4687100000e-01 -1.9965490000e+00
-ENERGY -1.526543436330e+02
-FORCES -1.9260000000e-04  4.7972000000e-03 -9.1940000000e-04  3.0612000000e-03 -2.4395000000e-03 -4.9650000000e-04 -2.8111000000e-03 -2.4052000000e-03  1.4874000000e-03  9.9980000000e-04 -2.2917000000e-03  4.2011000000e-03 -3.5245000000e-03  1.2934000000e-03 -1.4480000000e-03  2.4672000000e-03  1.0459000000e-03 -2.8246000000e-03
-
-JOB 75
-COORDS  1.5309260000e+00  1.8257810000e+00 -2.4013230000e+00  1.8585390000e+00  1.1465230000e+00 -1.8118230000e+00  7.7762100000e-01  2.1983210000e+00 -1.9430910000e+00 -1.4942090000e+00 -1.7398160000e+00  2.3642200000e+00 -2.3560390000e+00 -2.1560050000e+00  2.3806080000e+00 -8.9568800000e-01 -2.4377490000e+00  2.0979610000e+00
-ENERGY -1.526544450227e+02
-FORCES -1.8735000000e-03 -1.2191000000e-03  4.4953000000e-03 -1.1809000000e-03  2.6678000000e-03 -2.5360000000e-03  3.1130000000e-03 -1.4292000000e-03 -2.0360000000e-03 -1.2792000000e-03 -4.7370000000e-03 -7.9520000000e-04  3.5669000000e-03  1.7184000000e-03 -9.7100000000e-05 -2.3463000000e-03  2.9992000000e-03  9.6900000000e-04
-
-JOB 76
-COORDS -3.4806290000e+00  1.1291530000e+00 -1.9059120000e+00 -3.8339480000e+00  4.7139300000e-01 -2.5048690000e+00 -3.4087530000e+00  1.9227370000e+00 -2.4362800000e+00  3.5586870000e+00 -1.1262260000e+00  1.9678910000e+00  2.9059770000e+00 -5.0820700000e-01  1.6388720000e+00  3.0475130000e+00 -1.8771480000e+00  2.2696360000e+00
-ENERGY -1.526543203286e+02
-FORCES -1.2672000000e-03  6.1230000000e-04 -4.6774000000e-03  1.4816000000e-03  2.6624000000e-03  2.4725000000e-03 -2.5720000000e-04 -3.2586000000e-03  2.1854000000e-03 -4.8801000000e-03 -4.8950000000e-04 -1.3440000000e-04  2.7752000000e-03 -2.5238000000e-03  1.3570000000e-03  2.1477000000e-03  2.9973000000e-03 -1.2031000000e-03
-
-JOB 77
-COORDS -1.8054870000e+00  1.4667100000e+00  3.5319130000e+00 -2.0711490000e+00  2.2763290000e+00  3.9680000000e+00 -1.7839340000e+00  1.6911230000e+00  2.6016410000e+00  1.7903260000e+00 -1.5265180000e+00 -3.4474650000e+00  2.1453050000e+00 -6.9117000000e-01 -3.7514640000e+00  1.9092070000e+00 -2.1214630000e+00 -4.1878290000e+00
-ENERGY -1.526540307643e+02
-FORCES -9.4250000000e-04  4.1027000000e-03 -2.1342000000e-03  1.0789000000e-03 -3.2814000000e-03 -1.7522000000e-03 -1.3810000000e-04 -8.0040000000e-04  3.8704000000e-03  1.9960000000e-03  8.7970000000e-04 -4.2452000000e-03 -1.4997000000e-03 -3.3600000000e-03  1.2539000000e-03 -4.9460000000e-04  2.4594000000e-03  3.0074000000e-03
-
-JOB 78
-COORDS -1.5581840000e+00  9.5469700000e-01 -3.9385320000e+00 -1.3115170000e+00  5.9546600000e-01 -4.7907880000e+00 -2.3747740000e+00  1.4259150000e+00 -4.1039590000e+00  1.5600650000e+00 -9.0412500000e-01  3.9860020000e+00  2.5038270000e+00 -1.0536850000e+00  3.9296250000e+00  1.1920920000e+00 -1.7651210000e+00  4.1847840000e+00
-ENERGY -1.526539191636e+02
-FORCES -2.3308000000e-03  5.0190000000e-04 -4.0676000000e-03 -9.9540000000e-04  1.4444000000e-03  3.4675000000e-03  3.3290000000e-03 -1.9396000000e-03  6.3280000000e-04  2.3063000000e-03 -4.1063000000e-03  3.9560000000e-04 -3.8242000000e-03  6.0090000000e-04  3.0360000000e-04  1.5151000000e-03  3.4986000000e-03 -7.3190000000e-04
-
-JOB 79
-COORDS  3.7880260000e+00  1.5162350000e+00  1.6515810000e+00  4.6980380000e+00  1.2682510000e+00  1.8147170000e+00  3.2817340000e+00  9.9397600000e-01  2.2737920000e+00 -3.8408610000e+00 -1.5167530000e+00 -1.6733650000e+00 -3.0228910000e+00 -1.5755090000e+00 -2.1670310000e+00 -4.0434980000e+00 -5.8142600000e-01 -1.6551170000e+00
-ENERGY -1.526542270672e+02
-FORCES  1.6889000000e-03 -3.1380000000e-03  3.2781000000e-03 -3.7171000000e-03  1.0092000000e-03 -6.8480000000e-04  2.0527000000e-03  2.1408000000e-03 -2.5833000000e-03  2.5512000000e-03  3.6374000000e-03 -1.9708000000e-03 -3.3596000000e-03  1.8540000000e-04  2.0201000000e-03  7.8390000000e-04 -3.8348000000e-03 -5.9300000000e-05
-
-JOB 80
-COORDS -2.1087020000e+00  3.0160860000e+00 -2.9135600000e+00 -1.5072390000e+00  2.8231620000e+00 -2.1943560000e+00 -2.8180320000e+00  2.3817840000e+00 -2.8099050000e+00  2.1687290000e+00 -2.9900850000e+00  2.9114210000e+00  2.0581090000e+00 -2.3291070000e+00  2.2279710000e+00  1.3203630000e+00 -3.4308610000e+00  2.9585620000e+00
-ENERGY -1.526538967920e+02
-FORCES -4.9100000000e-04 -3.2724000000e-03  3.3120000000e-03 -2.4405000000e-03  6.9950000000e-04 -2.9139000000e-03  2.9479000000e-03  2.5481000000e-03 -3.8680000000e-04 -3.8401000000e-03  8.1230000000e-04 -2.5621000000e-03  3.8040000000e-04 -2.6481000000e-03  2.7752000000e-03  3.4433000000e-03  1.8605000000e-03 -2.2450000000e-04
-
-JOB 81
-COORDS -1.3515950000e+00 -3.0835000000e+00 -3.8401430000e+00 -7.6518500000e-01 -2.4513290000e+00 -4.2557340000e+00 -8.2878400000e-01 -3.4700190000e+00 -3.1376450000e+00  1.2876990000e+00  3.0955180000e+00  3.7572220000e+00  5.3620500000e-01  2.9734770000e+00  4.3373900000e+00  2.0356750000e+00  2.7784990000e+00  4.2634460000e+00
-ENERGY -1.526541259796e+02
-FORCES  4.5357000000e-03  1.0933000000e-03  1.2062000000e-03 -2.3914000000e-03 -2.6225000000e-03  1.6593000000e-03 -2.1387000000e-03  1.5203000000e-03 -2.8708000000e-03 -5.5600000000e-05 -1.7363000000e-03  4.4714000000e-03  3.0888000000e-03  4.7970000000e-04 -2.3722000000e-03 -3.0388000000e-03  1.2655000000e-03 -2.0940000000e-03
-
-JOB 82
-COORDS  3.7819460000e+00 -1.9427240000e+00  2.8327760000e+00  3.3842400000e+00 -1.0973220000e+00  3.0410000000e+00  4.7233380000e+00 -1.7930860000e+00  2.9200720000e+00 -3.7537580000e+00  1.8797150000e+00 -2.8713700000e+00 -4.2428500000e+00  1.4015700000e+00 -2.2017450000e+00 -4.2864450000e+00  2.6546410000e+00 -3.0501590000e+00
-ENERGY -1.526540651704e+02
-FORCES  2.2076000000e-03  4.0912000000e-03  1.1163000000e-03  1.6249000000e-03 -3.4629000000e-03 -7.9030000000e-04 -3.8314000000e-03 -6.2220000000e-04 -3.2530000000e-04 -4.1786000000e-03  1.1462000000e-03  1.9849000000e-03  1.9918000000e-03  1.9910000000e-03 -2.7236000000e-03  2.1858000000e-03 -3.1433000000e-03  7.3800000000e-04
-
-JOB 83
-COORDS -3.5415550000e+00  3.6896010000e+00  5.2816000000e-02 -3.1736040000e+00  4.5650680000e+00  1.7282300000e-01 -4.1064440000e+00  3.5601960000e+00  8.1464700000e-01  3.4924220000e+00 -3.7100850000e+00 -8.1047000000e-02  4.2353800000e+00 -3.1533950000e+00 -3.1416100000e-01  3.8054160000e+00 -4.6024620000e+00 -2.2913300000e-01
-ENERGY -1.526539877360e+02
-FORCES -7.5860000000e-04  2.9617000000e-03  3.6308000000e-03 -1.5112000000e-03 -3.5439000000e-03 -5.0540000000e-04  2.2770000000e-03  5.6970000000e-04 -3.1179000000e-03  4.2608000000e-03 -1.3254000000e-03 -1.6045000000e-03 -3.0008000000e-03 -2.2921000000e-03  9.7470000000e-04 -1.2671000000e-03  3.6300000000e-03  6.2230000000e-04
-
-JOB 84
-COORDS  5.1180160000e+00 -1.8693920000e+00 -1.2812670000e+00  5.1659210000e+00 -2.4195270000e+00 -4.9941700000e-01  4.5977190000e+00 -1.1128220000e+00 -1.0108520000e+00 -5.1351420000e+00  1.9096330000e+00  1.2033900000e+00 -5.0002040000e+00  1.0732390000e+00  7.5789100000e-01 -4.5358990000e+00  1.8836280000e+00  1.9493550000e+00
-ENERGY -1.526540087491e+02
-FORCES -1.8588000000e-03  8.5790000000e-04  4.2736000000e-03 -2.3390000000e-04  2.2494000000e-03 -3.1868000000e-03  2.0832000000e-03 -3.1087000000e-03 -1.0862000000e-03  2.9311000000e-03 -3.5193000000e-03  1.2151000000e-03 -5.1370000000e-04  3.4199000000e-03  1.8361000000e-03 -2.4079000000e-03  1.0080000000e-04 -3.0517000000e-03
-
-JOB 85
-COORDS  4.0889960000e+00 -1.7478150000e+00  4.3751690000e+00  4.2992100000e+00 -1.6185690000e+00  5.3000130000e+00  4.5050190000e+00 -1.0101100000e+00  3.9291320000e+00 -4.1571500000e+00  1.6843880000e+00 -4.3498190000e+00 -3.2749900000e+00  2.0559050000e+00 -4.3487320000e+00 -4.3987590000e+00  1.6424730000e+00 -5.2750750000e+00
-ENERGY -1.526540401129e+02
-FORCES  2.5234000000e-03  3.5363000000e-03  1.9657000000e-03 -8.4410000000e-04 -5.2680000000e-04 -3.7771000000e-03 -1.6840000000e-03 -3.0085000000e-03  1.8093000000e-03  2.6261000000e-03  1.3068000000e-03 -3.7555000000e-03 -3.6030000000e-03 -1.4918000000e-03 -1.3400000000e-05  9.8150000000e-04  1.8410000000e-04  3.7711000000e-03
-
-JOB 86
-COORDS  4.1850930000e+00 -4.6673220000e+00 -2.2165720000e+00  4.1948030000e+00 -5.0563540000e+00 -3.0910960000e+00  3.3743640000e+00 -4.9870320000e+00 -1.8206740000e+00 -4.1408500000e+00  4.7519560000e+00  2.2087410000e+00 -4.3355670000e+00  4.7434540000e+00  3.1458890000e+00 -3.9270130000e+00  3.8426430000e+00  1.9998000000e+00
-ENERGY -1.526540626962e+02
-FORCES -3.2464000000e-03 -2.8954000000e-03 -1.9778000000e-03 -4.8100000000e-05  1.5848000000e-03  3.5774000000e-03  3.2954000000e-03  1.3137000000e-03 -1.5991000000e-03  1.1110000000e-04 -3.7341000000e-03  2.9749000000e-03  7.8130000000e-04  3.0300000000e-05 -3.8249000000e-03 -8.9330000000e-04  3.7008000000e-03  8.4950000000e-04
-
-JOB 87
-COORDS  2.9717200000e+00 -4.1668860000e+00 -5.4303540000e+00  3.1937550000e+00 -4.9647680000e+00 -5.9102660000e+00  3.6364140000e+00 -4.1067110000e+00 -4.7442100000e+00 -3.0337910000e+00  4.1748750000e+00  5.4651320000e+00 -3.3582460000e+00  4.0660740000e+00  4.5711950000e+00 -2.6113960000e+00  5.0338360000e+00  5.4642490000e+00
-ENERGY -1.526540966586e+02
-FORCES  3.6167000000e-03 -3.0243000000e-03  8.4840000000e-04 -9.0490000000e-04  3.2587000000e-03  1.9536000000e-03 -2.7108000000e-03 -2.3650000000e-04 -2.8032000000e-03  3.9580000000e-04  3.0511000000e-03 -3.6696000000e-03  1.3227000000e-03  4.5080000000e-04  3.6572000000e-03 -1.7196000000e-03 -3.4998000000e-03  1.3600000000e-05
-
-JOB 88
-COORDS -6.5556970000e+00  2.7717300000e+00 -3.3524020000e+00 -5.8648550000e+00  2.3198090000e+00 -2.8679060000e+00 -6.1682640000e+00  3.6129130000e+00 -3.5943500000e+00  6.4470990000e+00 -2.8216450000e+00  3.3435760000e+00  6.5646270000e+00 -1.9219010000e+00  3.0388150000e+00  7.3283880000e+00 -3.1127800000e+00  3.5776750000e+00
-ENERGY -1.526540771245e+02
-FORCES  4.4006000000e-03  1.5702000000e-03  9.9880000000e-04 -2.8188000000e-03  1.8560000000e-03 -1.9825000000e-03 -1.5810000000e-03 -3.4242000000e-03  9.8310000000e-04  4.0913000000e-03  2.4649000000e-03 -2.7530000000e-04 -4.9360000000e-04 -3.6622000000e-03  1.2353000000e-03 -3.5986000000e-03  1.1953000000e-03 -9.5930000000e-04
-
-JOB 89
-COORDS  7.9645490000e+00  3.1857820000e+00  5.2654400000e+00  7.7761770000e+00  2.4167200000e+00  4.7275820000e+00  8.9188540000e+00  3.2591800000e+00  5.2533630000e+00 -8.0207030000e+00 -3.1465650000e+00 -5.1719440000e+00 -8.5111930000e+00 -3.6803590000e+00 -5.7970170000e+00 -7.3853050000e+00 -2.6722080000e+00 -5.7081210000e+00
-ENERGY -1.526540686580e+02
-FORCES  3.1169000000e-03 -2.8420000000e-03 -2.2398000000e-03  7.7380000000e-04  3.1394000000e-03  2.1917000000e-03 -3.8909000000e-03 -2.9770000000e-04  4.7700000000e-05  5.8600000000e-04 -2.3610000000e-04 -4.7347000000e-03  2.0034000000e-03  2.1754000000e-03  2.5492000000e-03 -2.5892000000e-03 -1.9389000000e-03  2.1859000000e-03
-
-JOB 0
-COORDS -8.5157800000e-01  1.3912300000e-01  8.5984800000e-01 -1.3578710000e+00  7.4687100000e-01  1.3988660000e+00 -1.3739520000e+00 -6.6287500000e-01  8.4727500000e-01  9.7034800000e-01 -1.5755500000e-01 -8.6165700000e-01  7.0466000000e-01 -9.2416000000e-02 -1.7789350000e+00  2.3966500000e-01  2.2094300000e-01 -3.7270600000e-01
-ENERGY -1.526565982764e+02
-FORCES  8.9167000000e-03 -3.7056000000e-03 -9.3075000000e-03  1.8669000000e-03 -4.4090000000e-03 -2.7802000000e-03  8.8320000000e-04  5.5796000000e-03  8.4970000000e-04 -1.3786400000e-02  4.3466000000e-03  1.2970600000e-02 -1.7514000000e-03 -5.1600000000e-05  4.0350000000e-03  3.8710000000e-03 -1.7600000000e-03 -5.7676000000e-03
-
-JOB 1
-COORDS  1.1320170000e+00  1.8623000000e-02  6.6633500000e-01  2.2211400000e-01 -2.7427600000e-01  6.1614000000e-01  1.1812570000e+00  5.0935000000e-01  1.4866970000e+00 -1.1060470000e+00 -7.5220000000e-02 -6.6418300000e-01 -5.0610200000e-01 -3.0086000000e-02 -1.4086690000e+00 -1.4496360000e+00  8.1408000000e-01 -5.7859600000e-01
-ENERGY -1.526573498670e+02
-FORCES -1.5061100000e-02 -1.3205000000e-03 -5.4615000000e-03  8.0031000000e-03  5.8810000000e-04  4.3064000000e-03 -2.8095000000e-03 -9.3650000000e-04 -3.4379000000e-03  1.2365900000e-02  6.2588000000e-03  1.0019000000e-03 -4.2350000000e-03 -5.8480000000e-04  3.2467000000e-03  1.7366000000e-03 -4.0051000000e-03  3.4440000000e-04
-
-JOB 2
-COORDS  9.7599800000e-01  7.9810700000e-01  1.4399600000e-01  1.7380220000e+00  8.4998300000e-01 -4.3294400000e-01  4.5998800000e-01  1.5755330000e+00 -6.9485000000e-02 -1.0551600000e+00 -8.4540000000e-01 -8.9129000000e-02 -5.0898700000e-01 -6.0539000000e-02 -4.5308000000e-02 -4.7637800000e-01 -1.5211410000e+00 -4.4214100000e-01
-ENERGY -1.526530414672e+02
-FORCES -5.0133000000e-03 -5.5425000000e-03 -4.2065000000e-03 -4.1018000000e-03  5.2900000000e-05  3.2710000000e-03 -9.2340000000e-04 -9.5318000000e-03  2.7200000000e-04  1.9774200000e-02  8.0632000000e-03  1.2275000000e-03 -7.4591000000e-03  6.7068000000e-03 -6.6050000000e-04 -2.2767000000e-03  2.5150000000e-04  9.6500000000e-05
-
-JOB 3
-COORDS -1.6328600000e-01  7.7490300000e-01  1.0010820000e+00 -8.3359000000e-01  2.8885500000e-01  1.4813750000e+00  5.3081200000e-01  9.2460800000e-01  1.6429910000e+00  1.8618100000e-01 -7.2531800000e-01 -1.1231940000e+00  1.7675600000e-01 -3.3748500000e-01 -2.4813500000e-01 -1.9088100000e-01 -1.5969370000e+00 -1.0034620000e+00
-ENERGY -1.526568210242e+02
-FORCES  1.2930000000e-04 -3.4535000000e-03 -3.2412000000e-03  5.5400000000e-03  3.6380000000e-04 -4.1149000000e-03 -4.2000000000e-03 -2.1458000000e-03 -3.8840000000e-03 -1.7734000000e-03  1.0268700000e-02  1.4671500000e-02  9.4900000000e-05 -8.8604000000e-03 -5.6883000000e-03  2.0920000000e-04  3.8272000000e-03  2.2569000000e-03
-
-JOB 4
-COORDS  1.0107460000e+00  1.7185200000e-01  8.2702900000e-01  1.8390220000e+00 -2.4698600000e-01  5.9300900000e-01  9.6613000000e-01  9.4579500000e-01  2.6555500000e-01 -1.1011470000e+00 -1.4740200000e-01 -7.6593000000e-01 -3.8697200000e-01 -4.3040600000e-01 -1.9488400000e-01 -9.8517600000e-01 -6.5882600000e-01 -1.5666970000e+00
-ENERGY -1.526587773332e+02
-FORCES -1.6416000000e-03  4.2011000000e-03 -5.5382000000e-03 -5.5357000000e-03  1.4959000000e-03 -7.0300000000e-04  5.6920000000e-04 -6.4730000000e-03  2.4700000000e-03  1.0389600000e-02 -2.5810000000e-03  8.8577000000e-03 -5.7507000000e-03  1.6554000000e-03 -8.6306000000e-03  1.9691000000e-03  1.7017000000e-03  3.5441000000e-03
-
-JOB 5
-COORDS -1.0222890000e+00 -5.6843900000e-01  5.7084000000e-01 -1.2543330000e+00 -1.4335130000e+00  2.3315000000e-01 -5.3734400000e-01 -7.4745300000e-01  1.3764540000e+00  1.0188320000e+00  6.5951100000e-01 -6.6077600000e-01  2.4369200000e-01  1.5323000000e-01 -4.1773400000e-01  1.5964270000e+00  5.9398800000e-01  9.9699000000e-02
-ENERGY -1.526572416207e+02
-FORCES  5.2431000000e-03 -5.8800000000e-05  4.6870000000e-04  2.9559000000e-03  5.2872000000e-03  1.3849000000e-03 -8.2740000000e-04  1.1224000000e-03 -5.7886000000e-03 -1.3400200000e-02 -7.7974000000e-03  9.5465000000e-03  8.2194000000e-03  1.9725000000e-03 -4.4981000000e-03 -2.1908000000e-03 -5.2600000000e-04 -1.1134000000e-03
-
-JOB 6
-COORDS -5.0472000000e-01 -1.0638810000e+00 -6.7888500000e-01 -1.4560380000e+00 -1.1690860000e+00 -6.9145200000e-01 -3.6859900000e-01 -1.1819000000e-01 -6.2082700000e-01  5.4367100000e-01  9.8813600000e-01  7.3625600000e-01  1.1768360000e+00  7.4290200000e-01  6.1575000000e-02  7.9157000000e-02  1.7395430000e+00  3.6768300000e-01
-ENERGY -1.526499864709e+02
-FORCES  3.5170000000e-04  9.4208000000e-03  9.3535000000e-03  3.4347000000e-03  1.5965000000e-03  4.5840000000e-04  2.7911000000e-03  1.0540000000e-04 -7.0596000000e-03  1.8832000000e-03 -3.4670000000e-03 -2.8561000000e-03 -8.2822000000e-03  2.6180000000e-04  7.2450000000e-04 -1.7860000000e-04 -7.9175000000e-03 -6.2080000000e-04
-
-JOB 7
-COORDS -6.0761300000e-01  1.7325000000e-02 -1.2794730000e+00 -1.4267150000e+00 -4.3917300000e-01 -1.0873430000e+00 -1.0500000000e-01 -3.9281000000e-02 -4.6681800000e-01  6.3005900000e-01 -1.5785000000e-02  1.1654140000e+00  3.9900200000e-01 -4.6457700000e-01  1.9786970000e+00  7.5571200000e-01  8.9759100000e-01  1.4226830000e+00
-ENERGY -1.526602352032e+02
-FORCES  4.2048000000e-03 -2.6599000000e-03  1.3791900000e-02  2.1011000000e-03  1.0451000000e-03 -2.2180000000e-04 -2.7696000000e-03  2.6332000000e-03 -8.4318000000e-03 -3.6040000000e-03  8.5240000000e-04 -1.0377000000e-03  1.1921000000e-03  3.4189000000e-03 -3.1336000000e-03 -1.1244000000e-03 -5.2897000000e-03 -9.6700000000e-04
-
-JOB 8
-COORDS  1.4679800000e-01 -1.4296730000e+00  4.1850000000e-02  6.2193000000e-02 -4.7710600000e-01  7.2500000000e-04  1.0350610000e+00 -1.5779270000e+00  3.6626100000e-01 -1.4723600000e-01  1.3327190000e+00 -4.8574000000e-02 -2.9588400000e-01  1.7995510000e+00 -8.7089100000e-01 -7.8607400000e-01  1.7064450000e+00  5.5842400000e-01
-ENERGY -1.526619206524e+02
-FORCES  1.0657000000e-03  1.2784500000e-02  1.2520000000e-04  9.0110000000e-04 -1.0299500000e-02  7.7840000000e-04 -2.4786000000e-03  1.0467000000e-03 -8.6380000000e-04 -2.7078000000e-03 -8.0830000000e-04 -9.7690000000e-04  9.5100000000e-05 -1.4880000000e-03  4.7964000000e-03  3.1244000000e-03 -1.2355000000e-03 -3.8592000000e-03
-
-JOB 9
-COORDS  6.3605600000e-01  2.5098300000e-01 -1.2687690000e+00  2.6116500000e-01  1.0550100000e-01 -4.0013600000e-01 -7.4787000000e-02  6.4564900000e-01 -1.7739160000e+00 -5.1319300000e-01 -3.1698200000e-01  1.2382000000e+00 -1.4509570000e+00 -4.7979700000e-01  1.1366050000e+00 -4.5548400000e-01  6.0492500000e-01  1.4891760000e+00
-ENERGY -1.526588670882e+02
-FORCES -6.9467000000e-03 -3.6852000000e-03  9.9479000000e-03  3.7947000000e-03  7.0108000000e-03 -7.8920000000e-03  1.4552000000e-03 -1.2091000000e-03  2.7458000000e-03 -3.7104000000e-03  1.0792000000e-03  9.0260000000e-04  5.1589000000e-03  2.0421000000e-03 -1.5770000000e-04  2.4830000000e-04 -5.2378000000e-03 -5.5466000000e-03
-
-JOB 10
-COORDS -1.0371190000e+00 -4.5137100000e-01  9.4460300000e-01 -4.3574600000e-01 -2.2308800000e-01  1.6534540000e+00 -6.7174300000e-01 -2.0607000000e-02  1.7183200000e-01  9.1345000000e-01  4.3914500000e-01 -9.3007300000e-01  1.4218660000e+00 -1.9612800000e-01 -4.2591700000e-01  1.4947090000e+00  6.9860400000e-01 -1.6449520000e+00
-ENERGY -1.526591978814e+02
-FORCES  5.0965000000e-03  6.2052000000e-03 -4.6406000000e-03 -7.8680000000e-04 -1.9847000000e-03 -2.6093000000e-03 -2.2409000000e-03 -4.6056000000e-03  6.1717000000e-03  2.4029000000e-03 -1.6841000000e-03 -1.2713000000e-03 -3.2612000000e-03  4.2172000000e-03 -1.6321000000e-03 -1.2105000000e-03 -2.1481000000e-03  3.9816000000e-03
-
-JOB 11
-COORDS -3.9228300000e-01  2.6579000000e-01 -1.3641300000e+00  5.4995000000e-02 -9.7460000000e-03 -5.6397100000e-01  3.0777900000e-01  5.8924600000e-01 -1.9311600000e+00  3.1668000000e-01 -3.2900400000e-01  1.3229700000e+00 -2.7781800000e-01  4.0466900000e-01  1.4795850000e+00  1.1565710000e+00 -3.7217000000e-02  1.6774800000e+00
-ENERGY -1.526606253839e+02
-FORCES  5.7395000000e-03 -3.7149000000e-03  7.6528000000e-03 -3.9824000000e-03  5.7682000000e-03 -8.7082000000e-03 -1.5037000000e-03 -1.0820000000e-03  3.0406000000e-03 -5.7490000000e-04  3.8969000000e-03  3.5738000000e-03  4.6322000000e-03 -4.0835000000e-03 -2.8070000000e-03 -4.3106000000e-03 -7.8470000000e-04 -2.7520000000e-03
-
-JOB 12
-COORDS  1.1284940000e+00  8.9214800000e-01  1.3866400000e-01  5.9910500000e-01  1.3115200000e-01  3.7712700000e-01  1.5229400000e+00  1.1778290000e+00  9.6269700000e-01 -1.1323030000e+00 -8.4031400000e-01 -1.4680300000e-01 -7.8214200000e-01 -1.7116950000e+00 -3.3204600000e-01 -1.2511270000e+00 -4.4121800000e-01 -1.0086820000e+00
-ENERGY -1.526602633367e+02
-FORCES -6.7054000000e-03 -4.8383000000e-03  2.8817000000e-03  9.4139000000e-03  4.1410000000e-03 -1.2200000000e-04 -2.1819000000e-03 -2.0762000000e-03 -2.3522000000e-03 -1.2823000000e-03  6.1970000000e-04 -6.5589000000e-03  3.1260000000e-04  5.4755000000e-03  1.7692000000e-03  4.4300000000e-04 -3.3217000000e-03  4.3822000000e-03
-
-JOB 13
-COORDS -8.1462900000e-01  1.1507180000e+00 -4.5482400000e-01 -9.4953000000e-02  5.9187800000e-01 -1.6157400000e-01 -1.6012330000e+00  7.3251700000e-01 -1.0469000000e-01  8.2421600000e-01 -1.0252010000e+00  3.9948300000e-01  5.7298500000e-01 -1.4201050000e+00  1.2344470000e+00  1.0156330000e+00 -1.7701030000e+00 -1.7035200000e-01
-ENERGY -1.526604023800e+02
-FORCES  4.7100000000e-03 -1.0495800000e-02  4.3033000000e-03 -4.2200000000e-03  7.6462000000e-03 -2.1207000000e-03  1.5305000000e-03  1.5244000000e-03 -7.6190000000e-04 -1.5759000000e-03 -2.7299000000e-03 -7.2100000000e-04  5.8140000000e-04  1.3623000000e-03 -4.5901000000e-03 -1.0259000000e-03  2.6928000000e-03  3.8904000000e-03
-
-JOB 14
-COORDS  1.1707610000e+00 -4.4916800000e-01  6.4864500000e-01  9.8161300000e-01  1.7612000000e-01  1.3482650000e+00  1.9638050000e+00 -1.1117400000e-01  2.3262400000e-01 -1.1964520000e+00  4.4597900000e-01 -6.9147400000e-01 -2.0483180000e+00  6.4426000000e-02 -4.7940700000e-01 -5.6518000000e-01 -2.3911000000e-01 -4.7151800000e-01
-ENERGY -1.526606434146e+02
-FORCES  1.1253000000e-03  6.6948000000e-03  1.1315000000e-03  1.6781000000e-03 -3.6362000000e-03 -2.7815000000e-03 -3.6368000000e-03 -1.3588000000e-03  2.1536000000e-03  5.5062000000e-03 -5.7511000000e-03  3.1868000000e-03  3.7686000000e-03  8.6420000000e-04  3.9430000000e-04 -8.4414000000e-03  3.1871000000e-03 -4.0846000000e-03
-
-JOB 15
-COORDS  1.2383290000e+00 -6.1104700000e-01 -7.3560000000e-02  1.5561610000e+00 -2.1858000000e-01 -8.8669200000e-01  1.9993040000e+00 -6.0961800000e-01  5.0708300000e-01 -1.3542650000e+00  6.0111100000e-01  1.2051500000e-01 -7.4134300000e-01 -1.0159200000e-01  3.3677000000e-01 -1.0055660000e+00  9.8449600000e-01 -6.8425600000e-01
-ENERGY -1.526582370469e+02
-FORCES  2.5035000000e-03  3.4020000000e-03 -5.3620000000e-04 -1.8825000000e-03 -1.2321000000e-03  3.7949000000e-03 -3.1984000000e-03  1.5740000000e-04 -3.2511000000e-03  1.1395600000e-02 -4.2245000000e-03 -2.1863000000e-03 -7.3265000000e-03  2.0160000000e-03  1.0473000000e-03 -1.4917000000e-03 -1.1880000000e-04  1.1314000000e-03
-
-JOB 16
-COORDS  4.8133200000e-01  1.1808710000e+00 -6.6888800000e-01  1.1151450000e+00  6.8407100000e-01 -1.1862880000e+00 -3.0158500000e-01  1.2167420000e+00 -1.2184200000e+00 -4.7767400000e-01 -1.1569300000e+00  7.9139500000e-01 -3.1581800000e-01 -4.2745700000e-01  1.9314500000e-01 -5.4510200000e-01 -1.9236100000e+00  2.2228300000e-01
-ENERGY -1.526576145342e+02
-FORCES  2.4954000000e-03  1.6212000000e-03 -4.7093000000e-03 -5.1492000000e-03  1.0248000000e-03  3.2453000000e-03  3.7611000000e-03 -4.0124000000e-03  5.0677000000e-03  3.2536000000e-03  6.6723000000e-03 -5.1050000000e-03 -5.2837000000e-03 -9.2349000000e-03  7.4560000000e-04  9.2280000000e-04  3.9290000000e-03  7.5570000000e-04
-
-JOB 17
-COORDS -6.9448600000e-01 -1.0438220000e+00 -5.7636300000e-01 -3.4510200000e-01 -1.9134250000e+00 -3.8154700000e-01 -1.3535100000e+00 -1.1961700000e+00 -1.2536440000e+00  7.2694000000e-01  1.1332200000e+00  5.5060500000e-01  1.0072500000e+00  1.2949670000e+00  1.4514360000e+00  1.3897700000e-01  3.8052500000e-01  6.1370500000e-01
-ENERGY -1.526587978634e+02
-FORCES -4.7720000000e-04 -1.1024000000e-03 -3.6425000000e-03 -1.9694000000e-03  4.3430000000e-03 -1.4450000000e-04  3.2672000000e-03 -9.3250000000e-04  2.7365000000e-03 -4.7266000000e-03 -5.5270000000e-03 -1.2090000000e-03 -1.4885000000e-03 -2.1096000000e-03 -3.2628000000e-03  5.3945000000e-03  5.3285000000e-03  5.5223000000e-03
-
-JOB 18
-COORDS -9.8298800000e-01  1.0179500000e+00  4.0436200000e-01 -1.9084300000e+00  8.1656400000e-01  2.6568600000e-01 -5.1555400000e-01  2.7968400000e-01  1.3593000000e-02  1.0333200000e+00 -9.0438800000e-01 -4.1004000000e-01  1.2508090000e+00 -1.1417810000e+00  4.9138900000e-01  4.7082600000e-01 -1.6156740000e+00 -7.1648000000e-01
-ENERGY -1.526590126183e+02
-FORCES  4.9988000000e-03 -5.7302000000e-03 -4.4690000000e-03  4.0448000000e-03 -9.7380000000e-04 -1.4130000000e-04 -9.6837000000e-03  3.6803000000e-03  4.1572000000e-03  2.8614000000e-03 -4.4134000000e-03  3.0402000000e-03 -2.5004000000e-03  1.2367000000e-03 -5.2322000000e-03  2.7920000000e-04  6.2004000000e-03  2.6451000000e-03
-
-JOB 19
-COORDS -6.3500000000e-01 -1.2664960000e+00 -3.0584000000e-01 -1.5279400000e+00 -1.4580150000e+00 -1.9117000000e-02 -7.2501200000e-01 -5.0487700000e-01 -8.7861100000e-01  6.7461500000e-01  1.2903300000e+00  2.8815900000e-01  1.4381030000e+00  1.0276050000e+00  8.0225400000e-01  6.7316000000e-02  5.5469600000e-01  3.6728700000e-01
-ENERGY -1.526572289722e+02
-FORCES -3.5583000000e-03 -2.8060000000e-04 -4.4007000000e-03  4.8751000000e-03  2.1218000000e-03 -9.9910000000e-04  1.6164000000e-03 -8.7660000000e-04  9.3991000000e-03  5.9060000000e-04 -9.4579000000e-03  3.5703000000e-03 -2.4245000000e-03  1.8099000000e-03 -1.4660000000e-03 -1.0993000000e-03  6.6834000000e-03 -6.1037000000e-03
-
-JOB 20
-COORDS -1.3354930000e+00 -4.5749100000e-01  5.3036900000e-01 -1.5818940000e+00 -1.0767900000e+00 -1.5664400000e-01 -4.5714100000e-01 -1.6550000000e-01  2.8650100000e-01  1.2256850000e+00  4.4550400000e-01 -4.9039000000e-01  1.4923600000e+00  1.3646870000e+00 -4.7556600000e-01  2.0148400000e+00 -3.7322000000e-02 -2.4473700000e-01
-ENERGY -1.526619190434e+02
-FORCES  8.5399000000e-03  1.8975000000e-03 -6.1923000000e-03  7.6800000000e-04  1.4693000000e-03  2.1647000000e-03 -8.4711000000e-03 -3.6425000000e-03  4.3767000000e-03  3.1643000000e-03  2.3676000000e-03  8.9710000000e-04 -1.2250000000e-04 -4.9019000000e-03 -6.9000000000e-06 -3.8786000000e-03  2.8100000000e-03 -1.2392000000e-03
-
-JOB 21
-COORDS  1.3896280000e+00  1.4093000000e-01 -5.0358200000e-01  1.3250040000e+00 -8.0295700000e-01 -3.5821300000e-01  1.4882570000e+00  5.1255300000e-01  3.7300300000e-01 -1.4541480000e+00 -1.1789600000e-01  4.2951900000e-01 -1.0960460000e+00  4.7086800000e-01  1.0938630000e+00 -6.9540500000e-01 -6.0220800000e-01  1.0396900000e-01
-ENERGY -1.526509224637e+02
-FORCES  8.5160000000e-04 -8.1140000000e-04  4.0617000000e-03 -4.9445000000e-03  5.1467000000e-03  1.3060000000e-04 -2.4397000000e-03 -2.1030000000e-03 -3.6534000000e-03  9.0861000000e-03  3.7337000000e-03 -2.4167000000e-03 -1.0067000000e-03 -2.3460000000e-03 -1.2178000000e-03 -1.5469000000e-03 -3.6200000000e-03  3.0957000000e-03
-
-JOB 22
-COORDS -5.1851600000e-01 -3.3518100000e-01 -1.2809280000e+00 -1.4104290000e+00 -3.8070600000e-01 -9.3647000000e-01 -4.9983200000e-01 -9.8327800000e-01 -1.9850960000e+00  6.0359200000e-01  3.4781400000e-01  1.3506380000e+00  3.1424100000e-01  1.2590390000e+00  1.3039780000e+00  2.5983300000e-01 -5.4287000000e-02  5.5290600000e-01
-ENERGY -1.526600381058e+02
-FORCES -2.2066000000e-03 -3.1905000000e-03 -3.4267000000e-03  6.0844000000e-03  3.7630000000e-04 -4.9100000000e-05 -1.4334000000e-03  3.3089000000e-03  3.0771000000e-03 -2.0067000000e-03  6.2650000000e-04 -9.5813000000e-03  1.8030000000e-04 -2.9553000000e-03  6.9030000000e-04 -6.1800000000e-04  1.8341000000e-03  9.2896000000e-03
-
-JOB 23
-COORDS -6.1916000000e-02 -6.2155600000e-01 -1.3006390000e+00 -1.2143800000e-01  1.5721400000e-01 -1.8539990000e+00  8.0967600000e-01 -9.7553600000e-01 -1.4774360000e+00 -5.8270000000e-03  5.5998800000e-01  1.3898690000e+00  5.3341000000e-02  3.7183200000e-01  4.5321100000e-01  3.2195300000e-01  1.4551830000e+00  1.4759980000e+00
-ENERGY -1.526593865676e+02
-FORCES  2.5068000000e-03 -1.9761000000e-03 -5.1661000000e-03  1.2577000000e-03 -2.8017000000e-03  5.6084000000e-03 -4.4991000000e-03  3.0034000000e-03  1.1262000000e-03  3.7900000000e-05 -2.1756000000e-03 -8.0749000000e-03  1.6879000000e-03  7.2377000000e-03  8.5006000000e-03 -9.9110000000e-04 -3.2876000000e-03 -1.9942000000e-03
-
-JOB 24
-COORDS  1.1641050000e+00  6.3880800000e-01 -4.8972700000e-01  1.1726180000e+00  1.1330190000e+00 -1.3094310000e+00  1.9042890000e+00  9.8642700000e-01  7.7870000000e-03 -1.2785250000e+00 -6.8495400000e-01  5.2252800000e-01 -8.6466900000e-01 -7.0673300000e-01 -3.4030500000e-01 -5.4688700000e-01 -6.5236600000e-01  1.1388680000e+00
-ENERGY -1.526567041437e+02
-FORCES  1.4970000000e-03  3.9424000000e-03 -3.7390000000e-04 -1.7040000000e-04 -2.7887000000e-03  3.5130000000e-03 -3.5386000000e-03 -1.5778000000e-03 -1.9093000000e-03  1.0661100000e-02  4.0921000000e-03 -2.8867000000e-03 -4.9087000000e-03 -2.0676000000e-03  5.0720000000e-04 -3.5404000000e-03 -1.6005000000e-03  1.1497000000e-03
-
-JOB 25
-COORDS -8.3889500000e-01  5.5762900000e-01 -1.0416950000e+00 -5.3230600000e-01  1.0568620000e+00 -1.7986630000e+00 -1.1204780000e+00  1.2227840000e+00 -4.1359300000e-01  8.2517800000e-01 -6.3153200000e-01  1.1144180000e+00  1.7918000000e-01 -7.1388100000e-01  4.1289300000e-01  1.6328740000e+00 -3.7702200000e-01  6.6822900000e-01
-ENERGY -1.526596167304e+02
-FORCES  7.8360000000e-04  5.4569000000e-03  3.8940000000e-04 -1.1765000000e-03 -1.5762000000e-03  3.7432000000e-03  1.1812000000e-03 -3.3029000000e-03 -3.6957000000e-03 -1.8927000000e-03  2.6088000000e-03 -9.6836000000e-03  2.7516000000e-03 -2.4616000000e-03  7.0108000000e-03 -1.6472000000e-03 -7.2490000000e-04  2.2359000000e-03
-
-JOB 26
-COORDS -1.0663800000e+00 -2.7314500000e-01  9.6894400000e-01 -1.3353370000e+00  5.1992800000e-01  1.4325490000e+00 -1.7556750000e+00 -4.1761100000e-01  3.2069000000e-01  1.1322350000e+00  2.7871800000e-01 -1.0128860000e+00  1.2617100000e+00  4.5936300000e-01 -8.1846000000e-02  8.7426500000e-01 -6.4250500000e-01 -1.0450010000e+00
-ENERGY -1.526559300446e+02
-FORCES -3.4947000000e-03  4.1385000000e-03 -3.7173000000e-03  1.7642000000e-03 -3.2501000000e-03 -1.7529000000e-03  2.6287000000e-03 -3.8440000000e-04  3.1655000000e-03 -5.3582000000e-03 -4.4687000000e-03  8.5528000000e-03  2.9117000000e-03  1.5934000000e-03 -3.6577000000e-03  1.5484000000e-03  2.3713000000e-03 -2.5904000000e-03
-
-JOB 27
-COORDS -7.9933500000e-01 -8.5439400000e-01 -1.0275170000e+00 -1.1279200000e-01 -5.8722300000e-01 -1.6386730000e+00 -6.2876900000e-01 -3.4307200000e-01 -2.3651200000e-01  7.4577900000e-01  8.4071500000e-01  9.5984800000e-01  1.4115000000e+00  2.0631700000e-01  1.2255280000e+00  1.6719100000e-01  9.1354500000e-01  1.7189030000e+00
-ENERGY -1.526595103979e+02
-FORCES  6.8783000000e-03  7.6819000000e-03  3.4649000000e-03 -2.2582000000e-03 -2.2786000000e-03  7.1590000000e-04 -5.7498000000e-03 -5.5947000000e-03 -2.4926000000e-03  3.1923000000e-03 -9.3500000000e-04  5.1181000000e-03 -3.8493000000e-03  3.0691000000e-03 -1.5955000000e-03  1.7869000000e-03 -1.9428000000e-03 -5.2109000000e-03
-
-JOB 28
-COORDS  1.4585020000e+00  3.2085900000e-01 -3.9769100000e-01  1.3431020000e+00  1.1806250000e+00 -8.0231200000e-01  5.9032800000e-01 -8.0511000000e-02 -4.3521300000e-01 -1.3832750000e+00 -3.9601100000e-01  4.6977500000e-01 -1.6517450000e+00 -5.3564700000e-01 -4.3833100000e-01 -1.3968580000e+00  5.5465800000e-01  5.8057200000e-01
-ENERGY -1.526559639627e+02
-FORCES -6.7392000000e-03 -9.8200000000e-04  9.7490000000e-04 -9.6140000000e-04 -3.2349000000e-03  2.0560000000e-03  5.5455000000e-03  3.9269000000e-03 -5.0548000000e-03 -4.3942000000e-03  3.7969000000e-03  3.3780000000e-04  5.3360000000e-03  1.4746000000e-03  4.0600000000e-03  1.2134000000e-03 -4.9815000000e-03 -2.3738000000e-03
-
-JOB 29
-COORDS -1.5407800000e-01  5.7354600000e-01  1.3887720000e+00 -5.8200700000e-01  1.4021150000e+00  1.6046050000e+00  4.8114900000e-01  8.0121900000e-01  7.0988800000e-01  2.0369000000e-01 -6.5663800000e-01 -1.3864100000e+00 -3.4043200000e-01  1.0859200000e-01 -1.5723840000e+00 -2.9604000000e-01 -1.1550180000e+00 -7.3978800000e-01
-ENERGY -1.526579185859e+02
-FORCES  3.2419000000e-03  3.2528000000e-03 -2.2671000000e-03  1.6531000000e-03 -3.4494000000e-03 -2.2358000000e-03 -4.5471000000e-03  1.0873000000e-03  4.3246000000e-03 -6.9288000000e-03 -3.6610000000e-04  3.8738000000e-03  3.7166000000e-03 -1.5643000000e-03  9.4840000000e-04  2.8642000000e-03  1.0397000000e-03 -4.6439000000e-03
-
-JOB 30
-COORDS -1.1961260000e+00 -2.6786000000e-02  9.3471600000e-01 -9.3682900000e-01 -1.8685900000e-01  2.7316000000e-02 -2.1331700000e+00  1.6262200000e-01  8.8669300000e-01  1.2009050000e+00  7.5135000000e-02 -8.8522500000e-01  2.0297060000e+00 -3.0351000000e-02 -4.1811400000e-01  1.0205130000e+00 -7.9025700000e-01 -1.2523600000e+00
-ENERGY -1.526558063162e+02
-FORCES  1.3768000000e-03  1.7916000000e-03 -5.2314000000e-03 -5.5755000000e-03 -3.2034000000e-03  3.1965000000e-03  4.1050000000e-03 -6.2110000000e-04 -5.4460000000e-04  5.1550000000e-03 -2.6589000000e-03  3.2433000000e-03 -2.7607000000e-03  1.8260000000e-04 -3.3661000000e-03 -2.3006000000e-03  4.5092000000e-03  2.7024000000e-03
-
-JOB 31
-COORDS -2.5517700000e-01  9.0194400000e-01 -1.1147320000e+00 -8.3639000000e-02  1.8435120000e+00 -1.0987310000e+00 -3.9655700000e-01  6.9944600000e-01 -2.0395230000e+00  2.8741900000e-01 -9.3811900000e-01  1.2197470000e+00 -1.2720600000e-01 -1.7093380000e+00  8.3304500000e-01  9.9831000000e-02 -2.3029900000e-01  6.0327800000e-01
-ENERGY -1.526607394797e+02
-FORCES  4.5450000000e-04  1.9415000000e-03 -4.2063000000e-03 -8.5350000000e-04 -4.4913000000e-03 -5.8570000000e-04  4.4500000000e-04  1.9668000000e-03  3.7540000000e-03 -3.1890000000e-03  2.9336000000e-03 -8.3234000000e-03  1.4156000000e-03  1.7018000000e-03  1.4159000000e-03  1.7274000000e-03 -4.0525000000e-03  7.9454000000e-03
-
-JOB 32
-COORDS -1.3648090000e+00  4.1473400000e-01 -6.7235600000e-01 -5.5678300000e-01  1.1477000000e-02 -3.5500800000e-01 -1.3874550000e+00  1.2726350000e+00 -2.4841500000e-01  1.3284210000e+00 -3.8076500000e-01  6.3595200000e-01  1.4117980000e+00 -9.0637800000e-01 -1.5966800000e-01  1.0511440000e+00 -1.0040710000e+00  1.3073970000e+00
-ENERGY -1.526588581353e+02
-FORCES  7.5143000000e-03  2.5538000000e-03  5.9189000000e-03 -5.9926000000e-03 -2.1248000000e-03 -5.6429000000e-03 -1.2292000000e-03 -2.5765000000e-03 -1.7560000000e-03  3.4329000000e-03 -5.4389000000e-03  1.7155000000e-03 -4.2755000000e-03  4.0964000000e-03  3.9728000000e-03  5.5000000000e-04  3.4900000000e-03 -4.2083000000e-03
-
-JOB 33
-COORDS  3.3094900000e-01 -1.5176640000e+00 -1.5555000000e-01 -5.8679500000e-01 -1.2679590000e+00 -4.7732000000e-02  7.3203600000e-01 -1.3299000000e+00  6.9304100000e-01 -3.3673300000e-01  1.5325910000e+00  6.8498000000e-02 -1.6986900000e-01  1.5696990000e+00  1.0103100000e+00  1.5558400000e-01  7.6889800000e-01 -2.3254600000e-01
-ENERGY -1.526571095038e+02
-FORCES -3.9800000000e-03 -2.0420000000e-03  4.9030000000e-03  6.3756000000e-03  3.7690000000e-04 -9.3470000000e-04 -1.7746000000e-03  1.8321000000e-03 -4.8200000000e-03  4.8514000000e-03 -3.8786000000e-03  6.6710000000e-04 -8.7460000000e-04 -1.5823000000e-03 -3.5535000000e-03 -4.5979000000e-03  5.2939000000e-03  3.7382000000e-03
-
-JOB 34
-COORDS -1.2281130000e+00  5.0349000000e-01  8.1103200000e-01 -6.3284000000e-01  2.3454100000e-01  1.1135400000e-01 -1.8292160000e+00 -2.3460300000e-01  9.1165700000e-01  1.1737320000e+00 -4.8519400000e-01 -7.7118700000e-01  1.7919790000e+00 -1.1317900000e-01 -1.4221300000e-01  1.5325520000e+00 -2.5157800000e-01 -1.6272850000e+00
-ENERGY -1.526616077509e+02
-FORCES  3.3721000000e-03 -5.5017000000e-03 -5.1026000000e-03 -6.7320000000e-03  4.0032000000e-03  6.0425000000e-03  1.8455000000e-03  2.4254000000e-03 -3.3840000000e-04  6.0702000000e-03  1.5245000000e-03 -1.0126000000e-03 -3.3059000000e-03 -1.5033000000e-03 -3.9018000000e-03 -1.2499000000e-03 -9.4810000000e-04  4.3128000000e-03
-
-JOB 35
-COORDS  1.1523710000e+00 -2.1869200000e-01  8.9797000000e-01  1.1542200000e+00 -8.9554200000e-01  1.5748020000e+00  1.7158260000e+00  4.7169000000e-01  1.2474330000e+00 -1.1775980000e+00  2.0931700000e-01 -1.0212220000e+00 -6.4152800000e-01 -1.9764100000e-01 -3.4060000000e-01 -1.8332020000e+00  7.1445300000e-01 -5.4033500000e-01
-ENERGY -1.526594586805e+02
-FORCES  4.4537000000e-03  2.3750000000e-03  3.2435000000e-03 -9.9810000000e-04  3.4711000000e-03 -3.3688000000e-03 -2.0319000000e-03 -3.9606000000e-03 -3.4720000000e-04  4.1902000000e-03  2.5290000000e-04  6.8752000000e-03 -7.7114000000e-03 -5.9520000000e-04 -4.8560000000e-03  2.0974000000e-03 -1.5432000000e-03 -1.5466000000e-03
-
-JOB 36
-COORDS  7.6885900000e-01 -7.5544200000e-01  1.0577940000e+00  6.3871400000e-01 -1.6766580000e+00  8.3272500000e-01  1.7009230000e+00 -6.0035600000e-01  9.0470200000e-01 -8.7326500000e-01  7.8243000000e-01 -1.0435580000e+00 -4.4978100000e-01  1.5851940000e+00 -1.3476350000e+00 -1.7896000000e-01  3.0001800000e-01 -5.9472600000e-01
-ENERGY -1.526592894009e+02
-FORCES  3.5423000000e-03 -5.3272000000e-03  2.7416000000e-03  9.3280000000e-04  5.3499000000e-03  2.1150000000e-04 -5.4475000000e-03  6.8000000000e-05 -8.6590000000e-04  5.4845000000e-03 -1.0200000000e-03  5.2729000000e-03 -7.7030000000e-04 -3.0117000000e-03  1.2834000000e-03 -3.7419000000e-03  3.9409000000e-03 -8.6435000000e-03
-
-JOB 37
-COORDS  1.4837430000e+00  2.8006000000e-02  3.9939400000e-01  1.0086220000e+00 -7.9663600000e-01  5.0165800000e-01  1.7479290000e+00  2.6461300000e-01  1.2884690000e+00 -1.5295890000e+00 -1.3013000000e-02 -4.5345000000e-01 -1.2650110000e+00  7.3786200000e-01 -9.8488000000e-01 -7.1049200000e-01 -3.5195600000e-01 -9.2299000000e-02
-ENERGY -1.526534756817e+02
-FORCES  1.3066000000e-03 -1.9791000000e-03  5.8303000000e-03 -4.3257000000e-03  6.5839000000e-03 -2.8748000000e-03 -9.8140000000e-04 -1.3022000000e-03 -4.5577000000e-03  8.1514000000e-03  5.1051000000e-03 -7.7200000000e-04 -3.2106000000e-03 -2.6743000000e-03  1.1563000000e-03 -9.4030000000e-04 -5.7334000000e-03  1.2179000000e-03
-
-JOB 38
-COORDS -9.8434400000e-01 -9.6035400000e-01 -7.4838000000e-01 -1.7360640000e+00 -1.3138810000e+00 -2.7280900000e-01 -4.1053600000e-01 -6.1244600000e-01 -6.5785000000e-02  9.8113000000e-01  1.0278570000e+00  6.6177700000e-01  1.4192000000e+00  3.8545400000e-01  1.0352600000e-01  8.3517100000e-01  5.6765800000e-01  1.4883030000e+00
-ENERGY -1.526543548448e+02
-FORCES -7.0630000000e-04  3.8570000000e-03  5.0475000000e-03  3.3201000000e-03  1.6094000000e-03 -1.3355000000e-03  4.1160000000e-04 -6.4395000000e-03 -2.3331000000e-03  4.7123000000e-03 -1.1236000000e-03  1.0156000000e-03 -5.9429000000e-03  1.5298000000e-03  3.6331000000e-03 -1.7949000000e-03  5.6690000000e-04 -6.0276000000e-03
-
-JOB 39
-COORDS -7.2237200000e-01  1.0601970000e+00 -8.9759300000e-01 -4.1944200000e-01  2.1835600000e-01 -5.5734600000e-01 -9.4848600000e-01  8.8269200000e-01 -1.8106080000e+00  6.7195100000e-01 -1.0267170000e+00  8.9903200000e-01  1.5692120000e+00 -8.1454000000e-01  6.4186300000e-01  6.0666400000e-01 -7.3222900000e-01  1.8074620000e+00
-ENERGY -1.526610131726e+02
-FORCES  1.1418000000e-03 -6.3885000000e-03  1.2894000000e-03 -3.1175000000e-03  7.1461000000e-03 -6.6621000000e-03  1.3970000000e-03 -3.0000000000e-05  3.3428000000e-03  4.2615000000e-03  1.9846000000e-03  5.4189000000e-03 -4.7795000000e-03 -8.8980000000e-04  6.7690000000e-04  1.0967000000e-03 -1.8224000000e-03 -4.0658000000e-03
-
-JOB 40
-COORDS -8.2451600000e-01  1.2634490000e+00  8.1580000000e-03 -1.4471110000e+00  1.3938660000e+00  7.2341900000e-01 -1.3698710000e+00  1.1979130000e+00 -7.7575800000e-01  9.0684900000e-01 -1.3321980000e+00 -1.5348000000e-02  3.1700700000e-01 -8.2030200000e-01 -5.6877500000e-01  1.1446820000e+00 -7.3768700000e-01  6.9614500000e-01
-ENERGY -1.526577329400e+02
-FORCES -5.6562000000e-03  1.2072000000e-03  1.0045000000e-03  2.9204000000e-03 -2.3840000000e-04 -3.3549000000e-03  3.4303000000e-03 -1.3754000000e-03  3.5008000000e-03 -3.7391000000e-03  9.4440000000e-03  1.6463000000e-03  1.9106000000e-03 -5.0223000000e-03 -1.9850000000e-03  1.1340000000e-03 -4.0151000000e-03 -8.1170000000e-04
-
-JOB 41
-COORDS -3.2918000000e-02  2.4597200000e-01 -1.5463840000e+00  2.9840000000e-01  9.2969200000e-01 -2.1286090000e+00  1.1419900000e-01  5.8921600000e-01 -6.6503800000e-01  1.8182000000e-02 -2.4227500000e-01  1.5256370000e+00  5.8752000000e-01 -9.6050700000e-01  1.8017330000e+00 -7.9640600000e-01 -6.6979500000e-01  1.2612440000e+00
-ENERGY -1.526601612781e+02
-FORCES  2.5014000000e-03  3.3182000000e-03  3.9932000000e-03 -8.0410000000e-04 -2.3314000000e-03  2.7733000000e-03 -2.3440000000e-03  2.0430000000e-04 -8.5503000000e-03 -7.3420000000e-04 -6.9864000000e-03  1.0952000000e-03 -2.8420000000e-03  2.9558000000e-03 -5.0750000000e-04  4.2229000000e-03  2.8396000000e-03  1.1962000000e-03
-
-JOB 42
-COORDS -1.3761830000e+00 -4.8954400000e-01 -6.9457500000e-01 -1.1065960000e+00 -1.0179600000e+00  5.6644000000e-02 -1.9790010000e+00  1.5775200000e-01 -3.2872000000e-01  1.3816040000e+00  4.3434300000e-01  6.5701500000e-01  1.0250450000e+00  6.6147400000e-01 -2.0176800000e-01  1.9949170000e+00  1.1415370000e+00  8.5690100000e-01
-ENERGY -1.526587229991e+02
-FORCES -1.9055000000e-03 -8.5180000000e-04  6.3912000000e-03 -2.3788000000e-03  1.9370000000e-03 -4.3257000000e-03  2.5991000000e-03 -2.2406000000e-03 -1.9823000000e-03  3.7760000000e-04  3.0227000000e-03 -4.0474000000e-03  4.2400000000e-03  5.4510000000e-04  5.1709000000e-03 -2.9324000000e-03 -2.4123000000e-03 -1.2067000000e-03
-
-JOB 43
-COORDS -9.6462500000e-01 -1.2920020000e+00  4.2720100000e-01 -7.0570800000e-01 -6.9332800000e-01 -2.7335900000e-01 -1.1687630000e+00 -7.2087400000e-01  1.1677230000e+00  9.7555700000e-01  1.1692480000e+00 -4.3243500000e-01  3.9721700000e-01  1.6943370000e+00 -9.8564100000e-01  1.3062830000e+00  1.7850220000e+00  2.2153400000e-01
-ENERGY -1.526564563107e+02
-FORCES  4.2130000000e-03  7.2448000000e-03 -1.1480000000e-04 -5.1056000000e-03 -3.8985000000e-03  6.4410000000e-04 -4.6360000000e-04 -2.5562000000e-03 -1.8302000000e-03  1.8850000000e-03  5.7029000000e-03  1.3164000000e-03  1.2599000000e-03 -4.1225000000e-03  3.1449000000e-03 -1.7886000000e-03 -2.3706000000e-03 -3.1603000000e-03
-
-JOB 44
-COORDS -1.5577090000e+00  4.5625800000e-01 -3.8210600000e-01 -6.4824800000e-01  6.5601400000e-01 -1.6027000000e-01 -2.0738710000e+00  9.4111700000e-01  2.6188100000e-01  1.5142830000e+00 -5.0128000000e-01  2.7194600000e-01  2.3771270000e+00 -3.1322500000e-01  6.4122500000e-01  9.3110400000e-01 -5.3598100000e-01  1.0301880000e+00
-ENERGY -1.526563006920e+02
-FORCES  2.9583000000e-03  3.0603000000e-03  9.9140000000e-04 -7.0411000000e-03 -6.5540000000e-04  2.0871000000e-03  2.7275000000e-03 -2.3842000000e-03 -2.0195000000e-03  3.4314000000e-03 -2.1616000000e-03  4.8330000000e-03 -4.1206000000e-03 -1.0730000000e-03 -1.3922000000e-03  2.0446000000e-03  3.2139000000e-03 -4.4999000000e-03
-
-JOB 45
-COORDS  1.4190490000e+00  3.5631800000e-01 -7.5442200000e-01  1.1172440000e+00  8.1308800000e-01 -1.5396010000e+00  1.3931750000e+00 -5.7076500000e-01 -9.9123200000e-01 -1.4026730000e+00 -3.8925900000e-01  8.3174300000e-01 -8.2546500000e-01  3.1326800000e-01  1.1309400000e+00 -1.9441400000e+00  1.6886000000e-02  1.5491900000e-01
-ENERGY -1.526560955287e+02
-FORCES -1.7774000000e-03 -4.0393000000e-03 -4.1094000000e-03  5.7010000000e-04 -1.5428000000e-03  3.5325000000e-03  1.3433000000e-03  4.3831000000e-03 -8.9000000000e-06  3.0372000000e-03  5.7422000000e-03 -2.2187000000e-03 -4.8152000000e-03 -2.7058000000e-03  6.2990000000e-04  1.6419000000e-03 -1.8375000000e-03  2.1745000000e-03
-
-JOB 46
-COORDS  4.6569700000e-01  1.4080490000e+00  7.9029800000e-01  1.1815400000e+00  1.9869500000e+00  5.2824000000e-01  8.0744300000e-01  5.2504300000e-01  6.4978800000e-01 -5.4739400000e-01 -1.3253820000e+00 -7.7789200000e-01  2.8425400000e-01 -1.6570460000e+00 -4.3937600000e-01 -1.0673460000e+00 -2.1107230000e+00 -9.4854300000e-01
-ENERGY -1.526523457156e+02
-FORCES  2.6622000000e-03 -2.1812000000e-03 -3.1030000000e-03 -2.9665000000e-03 -2.4643000000e-03  1.0715000000e-03  1.1602000000e-03  2.7094000000e-03  1.7293000000e-03 -4.5080000000e-04 -5.6259000000e-03  5.3000000000e-05 -2.7172000000e-03  4.0065000000e-03 -2.0580000000e-04  2.3122000000e-03  3.5555000000e-03  4.5510000000e-04
-
-JOB 47
-COORDS -5.6623000000e-02 -3.8959600000e-01 -1.6482770000e+00  1.9252700000e-01 -8.9237300000e-01 -8.7279500000e-01  5.9716000000e-01 -6.2442700000e-01 -2.3068010000e+00 -4.7814000000e-02  4.0554800000e-01  1.6912390000e+00  4.4364600000e-01 -8.5793000000e-02  1.0329970000e+00  2.7571000000e-01  1.3029190000e+00  1.6119370000e+00
-ENERGY -1.526518204354e+02
-FORCES  2.3574000000e-03 -4.2809000000e-03 -9.6870000000e-04  1.0714000000e-03  4.3854000000e-03 -2.6830000000e-04 -3.0117000000e-03  1.4446000000e-03  3.2736000000e-03  2.9688000000e-03  4.0238000000e-03 -4.4825000000e-03 -2.2457000000e-03 -1.7984000000e-03  8.5150000000e-04 -1.1401000000e-03 -3.7745000000e-03  1.5945000000e-03
-
-JOB 48
-COORDS  8.4172500000e-01  1.1363600000e+00  9.9787300000e-01  1.1369380000e+00  1.0974960000e+00  1.9075820000e+00  1.1715370000e+00  3.2878000000e-01  6.0382800000e-01 -9.3689900000e-01 -1.0978330000e+00 -9.9588300000e-01 -2.9854700000e-01 -1.6826430000e+00 -1.4042170000e+00 -6.0006300000e-01 -2.1824600000e-01 -1.1664680000e+00
-ENERGY -1.526549833435e+02
-FORCES  1.6681000000e-03 -4.3530000000e-03  3.8890000000e-03 -7.6710000000e-04  2.3260000000e-04 -3.7469000000e-03 -7.3740000000e-04  4.4328000000e-03 -1.3890000000e-04  1.7441000000e-03  2.3664000000e-03 -2.9895000000e-03 -1.8626000000e-03  2.8447000000e-03  2.7471000000e-03 -4.5000000000e-05 -5.5235000000e-03  2.3910000000e-04
-
-JOB 49
-COORDS  1.7435400000e+00  2.8772100000e-01  3.6407800000e-01  1.3715220000e+00 -5.9406200000e-01  3.4693000000e-01  1.0666260000e+00  8.4138800000e-01 -2.5116000000e-02 -1.6561490000e+00 -3.1232300000e-01 -3.8001100000e-01 -1.6666150000e+00 -3.2365200000e-01  5.7706500000e-01 -2.1417060000e+00  4.7811000000e-01 -6.1598300000e-01
-ENERGY -1.526569062481e+02
-FORCES -5.7497000000e-03 -2.2652000000e-03 -3.8114000000e-03  2.6152000000e-03  2.9838000000e-03  1.8652000000e-03  3.8699000000e-03 -1.3840000000e-04  2.6964000000e-03 -4.7874000000e-03  2.4790000000e-03  2.7425000000e-03  1.2134000000e-03  1.3630000000e-04 -4.7157000000e-03  2.8387000000e-03 -3.1956000000e-03  1.2229000000e-03
-
-JOB 50
-COORDS  8.7969100000e-01  1.4388160000e+00  6.7681900000e-01  9.3513000000e-02  1.2502770000e+00  1.1892730000e+00  5.5703900000e-01  1.5861360000e+00 -2.1223900000e-01 -8.0394600000e-01 -1.4935280000e+00 -6.2122300000e-01 -1.3696790000e+00 -1.3934920000e+00 -1.3868410000e+00 -4.6796500000e-01 -6.1289600000e-01 -4.5438400000e-01
-ENERGY -1.526537540179e+02
-FORCES -3.1686000000e-03  2.8234000000e-03  4.3950000000e-04  3.6954000000e-03 -1.3850000000e-04 -4.0958000000e-03  4.6030000000e-04 -3.4042000000e-03  4.0138000000e-03  3.8080000000e-04  3.1315000000e-03 -2.2896000000e-03  2.6013000000e-03  1.6890000000e-04  3.3975000000e-03 -3.9693000000e-03 -2.5811000000e-03 -1.4654000000e-03
-
-JOB 51
-COORDS  7.6022100000e-01 -1.2614200000e+00 -1.0383120000e+00  2.3330700000e-01 -1.5985300000e+00 -1.7628460000e+00  7.6566200000e-01 -3.1286600000e-01 -1.1665580000e+00 -7.4375900000e-01  1.2887090000e+00  1.0957570000e+00  1.2072700000e-01  8.8008800000e-01  1.1396410000e+00 -1.3414940000e+00  5.6582000000e-01  9.0503500000e-01
-ENERGY -1.526564014905e+02
-FORCES -1.6341000000e-03  2.0832000000e-03 -5.3404000000e-03  2.0756000000e-03  1.4238000000e-03  3.2322000000e-03  1.4460000000e-04 -4.6183000000e-03  2.0743000000e-03  7.9430000000e-04 -6.1387000000e-03  1.1589000000e-03 -3.1182000000e-03  3.2421000000e-03 -1.4859000000e-03  1.7378000000e-03  4.0079000000e-03  3.6080000000e-04
-
-JOB 52
-COORDS  1.0072290000e+00  1.1529440000e+00  1.0406560000e+00  1.7892900000e-01  9.0516700000e-01  1.4514560000e+00  1.5481730000e+00  3.6527200000e-01  1.0970850000e+00 -1.0113940000e+00 -1.1035000000e+00 -1.1321070000e+00 -3.4161200000e-01 -1.5389110000e+00 -6.0481200000e-01 -1.3041530000e+00 -3.7049000000e-01 -5.9060800000e-01
-ENERGY -1.526529256273e+02
-FORCES  2.9610000000e-04 -3.2977000000e-03  2.6222000000e-03  2.7774000000e-03  2.4760000000e-04 -3.2365000000e-03 -3.0684000000e-03  2.9080000000e-03 -4.3730000000e-04  2.4728000000e-03  2.6328000000e-03  3.6051000000e-03 -2.7328000000e-03  1.3578000000e-03 -1.4457000000e-03  2.5500000000e-04 -3.8485000000e-03 -1.1078000000e-03
-
-JOB 53
-COORDS -7.9877900000e-01  1.1969460000e+00 -1.0064490000e+00 -1.6131870000e+00  1.3678510000e+00 -5.3341300000e-01 -7.6308600000e-01  1.8790380000e+00 -1.6770520000e+00  7.8036700000e-01 -1.2533970000e+00  1.0400610000e+00  1.0727550000e+00 -9.9124900000e-01  1.6712400000e-01  1.5892210000e+00 -1.4183210000e+00  1.5246100000e+00
-ENERGY -1.526557976882e+02
-FORCES -4.3616000000e-03  3.5495000000e-03  2.9860000000e-04  3.0685000000e-03  6.3600000000e-05 -2.8172000000e-03  1.2220000000e-04 -2.9188000000e-03  2.8218000000e-03  3.7190000000e-03  1.7263000000e-03 -2.9083000000e-03  6.0040000000e-04 -3.1465000000e-03  4.4675000000e-03 -3.1484000000e-03  7.2580000000e-04 -1.8623000000e-03
-
-JOB 54
-COORDS -4.9707000000e-02  2.0870000000e-02 -1.7509270000e+00 -8.9553300000e-01 -2.1945700000e-01 -2.1291500000e+00  5.7995700000e-01 -1.2983200000e-01 -2.4559410000e+00  7.4068000000e-02 -2.9711000000e-02  1.8836130000e+00 -4.8657700000e-01 -3.1539600000e-01  1.1622990000e+00  4.6547200000e-01  7.8721300000e-01  1.5743080000e+00
-ENERGY -1.526570276725e+02
-FORCES  2.8470000000e-04 -1.8021000000e-03 -5.9511000000e-03  3.5440000000e-03  8.7460000000e-04  2.3151000000e-03 -3.0505000000e-03  8.3900000000e-04  2.5882000000e-03 -2.5700000000e-05  2.1381000000e-03 -6.8929000000e-03  3.9830000000e-04  4.2420000000e-04  5.1045000000e-03 -1.1509000000e-03 -2.4738000000e-03  2.8361000000e-03
-
-JOB 55
-COORDS  1.3328980000e+00  2.7100700000e-01  1.2610140000e+00  2.0987150000e+00  8.4462700000e-01  1.2877980000e+00  1.0362550000e+00  3.0903400000e-01  3.5173500000e-01 -1.3189900000e+00 -2.4957100000e-01 -1.2025930000e+00 -1.3728420000e+00 -1.0288420000e+00 -6.4935900000e-01 -1.9461310000e+00 -4.1175200000e-01 -1.9073070000e+00
-ENERGY -1.526573059821e+02
-FORCES  1.1104000000e-03  3.2221000000e-03 -4.4029000000e-03 -2.8122000000e-03 -2.1823000000e-03 -6.5100000000e-05  3.0649000000e-03 -1.0468000000e-03  5.5162000000e-03 -4.5147000000e-03 -3.9349000000e-03 -1.1086000000e-03  8.2760000000e-04  3.5632000000e-03 -3.0338000000e-03  2.3240000000e-03  3.7870000000e-04  3.0942000000e-03
-
-JOB 56
-COORDS -2.5154300000e-01  1.7403830000e+00  4.9589400000e-01  2.1762100000e-01  2.1330430000e+00  1.2320560000e+00 -1.1695200000e+00  1.7437770000e+00  7.6707500000e-01  2.2415100000e-01 -1.7774620000e+00 -6.0498700000e-01  4.7541700000e-01 -2.3182220000e+00  1.4379600000e-01  6.7948500000e-01 -9.4722100000e-01 -4.6497900000e-01
-ENERGY -1.526566360179e+02
-FORCES -3.5646000000e-03  2.6195000000e-03  4.0656000000e-03 -1.7350000000e-03 -2.2109000000e-03 -3.1097000000e-03  4.1701000000e-03  6.4420000000e-04 -6.7200000000e-04  2.5670000000e-03  3.1863000000e-03  3.6468000000e-03 -1.0141000000e-03  1.8853000000e-03 -2.7336000000e-03 -4.2340000000e-04 -6.1244000000e-03 -1.1971000000e-03
-
-JOB 57
-COORDS  1.2244820000e+00 -2.6368600000e-01 -1.3227710000e+00  1.6943610000e+00 -7.7567600000e-01 -6.6450700000e-01  1.6357870000e+00 -5.0471700000e-01 -2.1528100000e+00 -1.3282820000e+00  3.2299000000e-01  1.2952090000e+00 -1.2062320000e+00 -5.1561300000e-01  1.7402720000e+00 -5.1555300000e-01  8.0168500000e-01  1.4581660000e+00
-ENERGY -1.526530699971e+02
-FORCES  3.1502000000e-03 -3.4338000000e-03 -1.4906000000e-03 -1.9679000000e-03  2.5140000000e-03 -2.0166000000e-03 -1.7945000000e-03  9.7910000000e-04  3.5697000000e-03  4.3593000000e-03 -1.1543000000e-03  7.1500000000e-04 -2.9690000000e-04  3.2255000000e-03 -1.5273000000e-03 -3.4502000000e-03 -2.1305000000e-03  7.4980000000e-04
-
-JOB 58
-COORDS  1.6606460000e+00  7.1691000000e-02 -9.7536200000e-01  1.1556750000e+00  2.5123100000e-01 -1.8226700000e-01  1.8342780000e+00  9.3527000000e-01 -1.3499500000e+00 -1.6467600000e+00 -1.6756200000e-01  9.0281500000e-01 -1.7465780000e+00  7.8241400000e-01  8.4105900000e-01 -1.4596610000e+00 -3.2960600000e-01  1.8274590000e+00
-ENERGY -1.526548024516e+02
-FORCES -2.8407000000e-03  3.1742000000e-03  1.9142000000e-03  4.4828000000e-03  7.8580000000e-04 -3.1830000000e-03 -8.4990000000e-04 -3.2505000000e-03  1.6249000000e-03 -2.5614000000e-03  2.3391000000e-03  3.9589000000e-03  1.8217000000e-03 -4.1253000000e-03  1.2850000000e-04 -5.2700000000e-05  1.0767000000e-03 -4.4434000000e-03
-
-JOB 59
-COORDS  1.2502530000e+00 -2.5045800000e-01  1.3760190000e+00  2.0539150000e+00 -4.6511000000e-02  8.9772500000e-01  1.2053900000e+00  4.1350500000e-01  2.0640390000e+00 -1.2935690000e+00  2.4563400000e-01 -1.3470690000e+00 -9.3253800000e-01 -6.3653800000e-01 -1.2595420000e+00 -1.6724180000e+00  2.6379000000e-01 -2.2259180000e+00
-ENERGY -1.526547931265e+02
-FORCES  2.4122000000e-03  4.9186000000e-03  8.8480000000e-04 -3.0544000000e-03 -1.3535000000e-03  1.9271000000e-03  7.8410000000e-04 -2.9472000000e-03 -2.3628000000e-03  3.9400000000e-04 -4.2489000000e-03 -1.9466000000e-03 -2.2670000000e-03  3.5374000000e-03 -2.1119000000e-03  1.7311000000e-03  9.3600000000e-05  3.6094000000e-03
-
-JOB 60
-COORDS  3.0420500000e-01  1.6048510000e+00  9.9420500000e-01 -4.6376300000e-01  2.0607310000e+00  6.4977700000e-01  1.4197700000e-01  1.5386360000e+00  1.9352310000e+00 -2.9633500000e-01 -1.5902430000e+00 -1.0404040000e+00  4.7096700000e-01 -1.4329410000e+00 -4.9019000000e-01 -1.7772400000e-01 -2.4816050000e+00 -1.3684830000e+00
-ENERGY -1.526556511100e+02
-FORCES -4.8701000000e-03  2.0857000000e-03  1.8664000000e-03  3.4230000000e-03 -1.1751000000e-03  2.0343000000e-03  9.2910000000e-04  6.2900000000e-05 -3.8081000000e-03  4.2134000000e-03 -1.8049000000e-03  1.3945000000e-03 -3.1869000000e-03 -2.7449000000e-03 -2.8989000000e-03 -5.0840000000e-04  3.5763000000e-03  1.4118000000e-03
-
-JOB 61
-COORDS -9.1745400000e-01  7.4602400000e-01  1.5935830000e+00 -8.8297300000e-01  1.0996730000e+00  2.4823880000e+00 -2.7523100000e-01  1.2611190000e+00  1.1052610000e+00  8.7513400000e-01 -7.7839100000e-01 -1.5502020000e+00  2.4220600000e-01 -7.2827100000e-01 -2.2665270000e+00  1.7045810000e+00 -9.9235700000e-01 -1.9773670000e+00
-ENERGY -1.526544575445e+02
-FORCES  3.7152000000e-03  2.8252000000e-03  6.7280000000e-04 -1.4550000000e-04 -1.4691000000e-03 -3.5079000000e-03 -3.4344000000e-03 -7.9440000000e-04  3.0343000000e-03  2.7120000000e-04 -1.6639000000e-03 -4.8642000000e-03  3.0089000000e-03  5.3700000000e-05  2.7784000000e-03 -3.4155000000e-03  1.0486000000e-03  1.8866000000e-03
-
-JOB 62
-COORDS  7.6397400000e-01  5.2831700000e-01 -1.7886840000e+00  3.0065000000e-02 -8.2140000000e-02 -1.8590530000e+00  1.5315830000e+00  9.4980000000e-03 -2.0291730000e+00 -8.2780900000e-01 -4.5749300000e-01  1.7960310000e+00 -3.4182000000e-01 -1.2115460000e+00  1.4621880000e+00 -1.8149800000e-01  4.3377000000e-02  2.2936680000e+00
-ENERGY -1.526541439936e+02
-FORCES -8.8420000000e-04 -4.0721000000e-03 -1.5172000000e-03  3.7606000000e-03  2.0049000000e-03 -1.7050000000e-04 -3.1192000000e-03  1.9519000000e-03  1.5387000000e-03  5.4221000000e-03  1.2870000000e-04  4.1320000000e-04 -2.3490000000e-03  2.4843000000e-03  1.0328000000e-03 -2.8303000000e-03 -2.4977000000e-03 -1.2969000000e-03
-
-JOB 63
-COORDS -1.7053510000e+00  1.0061440000e+00  4.9845700000e-01 -1.4541710000e+00  1.9116300000e+00  3.1615400000e-01 -1.6580850000e+00  5.6823900000e-01 -3.5138900000e-01  1.6893560000e+00 -1.0771160000e+00 -4.9280400000e-01  2.3482450000e+00 -4.2123500000e-01 -2.6494900000e-01  1.0093540000e+00 -9.7559800000e-01  1.7317200000e-01
-ENERGY -1.526561409089e+02
-FORCES -1.5220000000e-04  2.7918000000e-03 -4.9203000000e-03 -8.5050000000e-04 -3.8436000000e-03  9.5710000000e-04  1.8360000000e-04  1.6301000000e-03  4.4179000000e-03  9.6900000000e-05  2.9212000000e-03  4.7106000000e-03 -2.5273000000e-03 -2.5486000000e-03 -1.2269000000e-03  3.2494000000e-03 -9.5090000000e-04 -3.9383000000e-03
-
-JOB 64
-COORDS -7.4868800000e-01  1.5415700000e+00 -1.0816190000e+00 -7.9617600000e-01  2.2637490000e+00 -4.5517400000e-01 -5.7012000000e-02  1.7980550000e+00 -1.6915640000e+00  7.4359300000e-01 -1.6553210000e+00  1.0892150000e+00  5.2053900000e-01 -1.0002430000e+00  1.7505410000e+00  3.8357100000e-01 -1.3057050000e+00  2.7411700000e-01
-ENERGY -1.526563803169e+02
-FORCES  2.0463000000e-03  5.5156000000e-03 -8.9740000000e-04  3.8470000000e-04 -3.3527000000e-03 -2.4246000000e-03 -2.9269000000e-03 -1.3442000000e-03  2.8497000000e-03 -3.3223000000e-03  4.7994000000e-03 -1.4101000000e-03  1.2660000000e-03 -2.6813000000e-03 -1.8504000000e-03  2.5522000000e-03 -2.9368000000e-03  3.7327000000e-03
-
-JOB 65
-COORDS -1.5392760000e+00  1.4740010000e+00 -3.9722500000e-01 -9.0772000000e-01  9.5523200000e-01 -8.9547000000e-01 -1.0994290000e+00  1.6543460000e+00  4.3358400000e-01  1.4938020000e+00 -1.5098090000e+00  4.1350000000e-01  2.1476430000e+00 -9.1659300000e-01  4.3609000000e-02  6.5315700000e-01 -1.1270140000e+00  1.6247200000e-01
-ENERGY -1.526528967074e+02
-FORCES  3.6230000000e-03  2.6600000000e-05  1.2288000000e-03 -2.0649000000e-03  1.0517000000e-03  3.0669000000e-03 -1.6569000000e-03 -1.4083000000e-03 -4.0729000000e-03 -3.5990000000e-04  2.9012000000e-03 -2.3405000000e-03 -3.4024000000e-03 -2.1888000000e-03  1.5612000000e-03  3.8611000000e-03 -3.8230000000e-04  5.5650000000e-04
-
-JOB 66
-COORDS  1.1540090000e+00  1.5212410000e+00  1.0577320000e+00  2.3397000000e-01  1.3238010000e+00  1.2331660000e+00  1.5127120000e+00  7.0458800000e-01  7.1039500000e-01 -1.1789510000e+00 -1.4565510000e+00 -1.0291310000e+00 -4.8311000000e-01 -1.9486630000e+00 -5.9339800000e-01 -7.9154900000e-01 -1.1761520000e+00 -1.8583040000e+00
-ENERGY -1.526546955760e+02
-FORCES -3.2214000000e-03 -4.1286000000e-03 -7.8740000000e-04  4.4501000000e-03  1.2076000000e-03 -1.5790000000e-04 -9.0810000000e-04  2.9648000000e-03  1.2269000000e-03  3.6353000000e-03 -1.8085000000e-03 -2.8777000000e-03 -2.5295000000e-03  2.9995000000e-03 -1.3047000000e-03 -1.4264000000e-03 -1.2348000000e-03  3.9007000000e-03
-
-JOB 67
-COORDS -6.5393900000e-01  4.6987800000e-01 -1.9641190000e+00 -9.7350100000e-01  1.0937830000e+00 -2.6159280000e+00  2.8088900000e-01  6.6074200000e-01 -1.8873160000e+00  6.4245100000e-01 -4.7191300000e-01  1.9667730000e+00  1.0472490000e+00 -1.2807440000e+00  2.2800840000e+00 -2.6986700000e-01 -5.3498000000e-01  2.2494910000e+00
-ENERGY -1.526546773517e+02
-FORCES  3.2320000000e-03  3.2673000000e-03 -1.5706000000e-03  1.1633000000e-03 -2.5333000000e-03  2.6683000000e-03 -4.0085000000e-03 -5.7310000000e-04 -1.4790000000e-03 -2.9499000000e-03 -3.6665000000e-03  2.0196000000e-03 -1.4578000000e-03  3.3280000000e-03 -1.2608000000e-03  4.0209000000e-03  1.7760000000e-04 -3.7740000000e-04
-
-JOB 68
-COORDS  1.7817280000e+00  1.0990210000e+00 -3.7333000000e-01  1.8611720000e+00  2.0524540000e+00 -3.4356200000e-01  2.4498090000e+00  7.8342000000e-01  2.3518900000e-01 -1.7963990000e+00 -1.1072990000e+00  2.8902000000e-01 -2.6220320000e+00 -1.5890510000e+00  2.3924600000e-01 -1.5446190000e+00 -1.1572430000e+00  1.2111610000e+00
-ENERGY -1.526528741204e+02
-FORCES  2.7256000000e-03  2.5897000000e-03  2.3096000000e-03 -2.2810000000e-04 -3.9339000000e-03 -1.0330000000e-04 -2.8417000000e-03  1.2209000000e-03 -2.3156000000e-03 -1.7662000000e-03 -1.8703000000e-03  3.5729000000e-03  3.4264000000e-03  2.0692000000e-03  6.8800000000e-05 -1.3160000000e-03 -7.5700000000e-05 -3.5324000000e-03
-
-JOB 69
-COORDS  2.2970660000e+00 -5.9975000000e-02 -3.7273000000e-01  1.7816310000e+00  2.6214600000e-01 -1.1121870000e+00  1.6526000000e+00 -2.2376300000e-01  3.1579700000e-01 -2.2746460000e+00  2.6122000000e-02  3.2402100000e-01 -2.4562260000e+00  3.6825000000e-01  1.1993550000e+00 -1.3216820000e+00  6.6333000000e-02  2.4355600000e-01
-ENERGY -1.526527108676e+02
-FORCES -3.6983000000e-03  3.3650000000e-04 -6.9560000000e-04  1.7228000000e-03 -1.4150000000e-03  3.8803000000e-03  1.5540000000e-03  1.2143000000e-03 -3.1133000000e-03  2.2962000000e-03  1.7298000000e-03  3.6035000000e-03  1.0004000000e-03 -1.5631000000e-03 -3.8488000000e-03 -2.8751000000e-03 -3.0240000000e-04  1.7390000000e-04
-
-JOB 70
-COORDS -5.1826400000e-01  1.5162940000e+00 -1.5928100000e+00 -1.4711100000e+00  1.5932410000e+00 -1.6417390000e+00 -2.6573000000e-01  2.1085040000e+00 -8.8447000000e-01  6.0549600000e-01 -1.5176530000e+00  1.5456800000e+00  3.3692000000e-02 -1.8968510000e+00  8.7823600000e-01  2.5321400000e-01 -1.8405020000e+00  2.3750760000e+00
-ENERGY -1.526544214125e+02
-FORCES -2.2431000000e-03  2.9624000000e-03  3.2146000000e-03  3.7682000000e-03 -6.0030000000e-04  1.7920000000e-04 -1.4188000000e-03 -1.9903000000e-03 -3.3387000000e-03 -3.6488000000e-03 -2.9547000000e-03 -1.4330000000e-04  2.1869000000e-03  1.0766000000e-03  3.4211000000e-03  1.3557000000e-03  1.5063000000e-03 -3.3329000000e-03
-
-JOB 71
-COORDS  1.6118000000e-02  2.1301930000e+00 -8.4668500000e-01  3.4041300000e-01  3.0198160000e+00 -7.0655900000e-01  4.8042600000e-01  1.6006170000e+00 -1.9845700000e-01 -6.6443000000e-02 -2.1008450000e+00  8.5376600000e-01 -6.2618000000e-01 -2.3130240000e+00  1.0683400000e-01  6.5925100000e-01 -2.7221550000e+00  7.9398500000e-01
-ENERGY -1.526554028311e+02
-FORCES  3.0486000000e-03  9.2490000000e-04  3.7602000000e-03 -1.2328000000e-03 -3.5023000000e-03 -6.0690000000e-04 -1.5715000000e-03  3.1866000000e-03 -3.2534000000e-03  6.4600000000e-05 -3.9839000000e-03 -3.4550000000e-03  2.5643000000e-03  6.4810000000e-04  3.2789000000e-03 -2.8732000000e-03  2.7266000000e-03  2.7620000000e-04
-
-JOB 72
-COORDS -1.2817300000e+00 -3.7938900000e-01 -1.8640400000e+00 -1.5011440000e+00  1.0508000000e-02 -2.7102490000e+00 -1.7024200000e+00  1.9100000000e-01 -1.2206830000e+00  1.3005540000e+00  2.6368700000e-01  1.8513880000e+00  8.1284400000e-01  1.0843090000e+00  1.7810270000e+00  2.0864060000e+00  4.9332500000e-01  2.3473070000e+00
-ENERGY -1.526531117645e+02
-FORCES -2.4031000000e-03  3.6428000000e-03 -4.8750000000e-04  9.6220000000e-04 -1.5901000000e-03  3.4851000000e-03  1.5834000000e-03 -1.9388000000e-03 -2.7263000000e-03  1.5446000000e-03  4.1258000000e-03  1.4083000000e-03  1.5704000000e-03 -3.2892000000e-03  3.2420000000e-04 -3.2576000000e-03 -9.5050000000e-04 -2.0037000000e-03
-
-JOB 73
-COORDS  1.2180250000e+00 -1.9652440000e+00  5.4385800000e-01  1.6914840000e+00 -1.8045730000e+00  1.3601010000e+00  6.3553000000e-01 -1.2112720000e+00  4.5188800000e-01 -1.2734810000e+00  1.9084630000e+00 -5.8874100000e-01 -5.7539500000e-01  1.4428660000e+00 -1.2816800000e-01 -8.6561200000e-01  2.7232310000e+00 -8.8204800000e-01
-ENERGY -1.526528525787e+02
-FORCES -6.9060000000e-04  2.8823000000e-03  3.1217000000e-03 -2.0330000000e-03 -3.8840000000e-04 -3.6158000000e-03  2.7518000000e-03 -1.8831000000e-03  4.1620000000e-04  4.5004000000e-03  2.3192000000e-03  1.3020000000e-04 -2.6949000000e-03  5.4900000000e-04 -1.4288000000e-03 -1.8337000000e-03 -3.4789000000e-03  1.3764000000e-03
-
-JOB 74
-COORDS  1.5344060000e+00 -1.9994280000e+00  3.7487700000e-01  1.7818730000e+00 -2.1762550000e+00 -5.3271500000e-01  5.7783400000e-01 -2.0340860000e+00  3.7391200000e-01 -1.4638670000e+00  2.0600680000e+00 -2.8749700000e-01 -2.3212760000e+00  1.9989300000e+00 -7.0861900000e-01 -1.0389920000e+00  1.2255960000e+00 -4.8591300000e-01
-ENERGY -1.526535330916e+02
-FORCES -2.3528000000e-03 -1.5764000000e-03 -3.3121000000e-03 -1.3316000000e-03  9.8630000000e-04  3.7696000000e-03  3.7882000000e-03  7.9070000000e-04 -4.3240000000e-04 -1.4852000000e-03 -3.3215000000e-03 -2.4196000000e-03  3.6005000000e-03  7.9200000000e-05  1.7477000000e-03 -2.2191000000e-03  3.0416000000e-03  6.4680000000e-04
-
-JOB 75
-COORDS  2.7115600000e-01  1.4664310000e+00 -2.0348860000e+00  3.1992200000e-01  2.3891020000e+00 -2.2849510000e+00 -6.5210600000e-01  1.2373800000e+00 -2.1414460000e+00 -1.9258200000e-01 -1.5193600000e+00  2.1222100000e+00 -4.2668700000e-01 -7.0370500000e-01  1.6793390000e+00 -3.9370200000e-01 -2.2047140000e+00  1.4849720000e+00
-ENERGY -1.526544189010e+02
-FORCES -3.1704000000e-03  3.3631000000e-03 -2.1320000000e-03 -3.2550000000e-04 -3.8911000000e-03  1.0389000000e-03  3.7860000000e-03  6.1940000000e-04  1.0113000000e-03 -1.0842000000e-03  8.3890000000e-04 -4.8170000000e-03  2.8690000000e-04 -3.5521000000e-03  2.2015000000e-03  5.0730000000e-04  2.6218000000e-03  2.6973000000e-03
-
-JOB 76
-COORDS  1.9638200000e-01 -2.2119390000e+00 -1.3715870000e+00  4.9363000000e-01 -2.9875090000e+00 -1.8473660000e+00 -7.0320700000e-01 -2.0775970000e+00 -1.6697860000e+00 -1.4289500000e-01  2.2285640000e+00  1.4693670000e+00 -7.4319700000e-01  2.9456010000e+00  1.2650940000e+00  1.0300000000e-01  1.8710010000e+00  6.1618600000e-01
-ENERGY -1.526543659822e+02
-FORCES -2.4161000000e-03 -3.1885000000e-03 -2.9555000000e-03 -1.2907000000e-03  3.2155000000e-03  1.8793000000e-03  3.7761000000e-03 -2.1560000000e-04  1.1100000000e-03 -1.0607000000e-03  9.6960000000e-04 -4.4174000000e-03  2.3241000000e-03 -2.8954000000e-03  8.2210000000e-04 -1.3327000000e-03  2.1145000000e-03  3.5616000000e-03
-
-JOB 77
-COORDS  1.6787340000e+00 -2.0245240000e+00  1.0104450000e+00  1.2054290000e+00 -1.6651790000e+00  1.7608350000e+00  1.4122910000e+00 -1.4752270000e+00  2.7321200000e-01 -1.5797330000e+00  1.9998320000e+00 -1.0095610000e+00 -2.1410520000e+00  1.8637630000e+00 -1.7728680000e+00 -2.0827350000e+00  1.6466310000e+00 -2.7575500000e-01
-ENERGY -1.526545676470e+02
-FORCES -2.7926000000e-03  4.1077000000e-03 -1.5830000000e-04  1.7428000000e-03 -1.6145000000e-03 -2.9096000000e-03  1.0587000000e-03 -2.6965000000e-03  3.1774000000e-03 -4.8401000000e-03 -1.4074000000e-03 -4.4830000000e-04  2.3800000000e-03  4.6980000000e-04  3.2458000000e-03  2.4512000000e-03  1.1409000000e-03 -2.9070000000e-03
-
-JOB 78
-COORDS  1.7534880000e+00 -2.3473670000e+00 -3.3575600000e-01  2.2924720000e+00 -2.3794520000e+00  4.5462300000e-01  1.3524110000e+00 -1.4784360000e+00 -3.1761500000e-01 -1.7279780000e+00  2.3217900000e+00  3.4407300000e-01 -1.9098270000e+00  2.8281110000e+00 -4.4763500000e-01 -2.1260980000e+00  1.4670940000e+00  1.7906700000e-01
-ENERGY -1.526545399591e+02
-FORCES  7.9950000000e-04  3.6036000000e-03  3.4481000000e-03 -2.1865000000e-03  8.1000000000e-06 -3.2432000000e-03  1.3917000000e-03 -3.8045000000e-03 -2.6450000000e-04 -2.9260000000e-03 -1.0215000000e-03 -3.8928000000e-03  8.4210000000e-04 -2.1677000000e-03  3.2713000000e-03  2.0792000000e-03  3.3820000000e-03  6.8110000000e-04
-
-JOB 79
-COORDS  3.9873100000e-01  2.4453460000e+00  1.4809330000e+00  6.5304300000e-01  2.8214650000e+00  6.3826400000e-01 -1.5226800000e-01  3.1150000000e+00  1.8861440000e+00 -3.7309600000e-01 -2.4406520000e+00 -1.4751350000e+00  2.3874200000e-01 -2.9786440000e+00 -9.7269000000e-01 -1.1248390000e+00 -3.0127460000e+00 -1.6294850000e+00
-ENERGY -1.526539590871e+02
-FORCES -1.3617000000e-03  3.9730000000e-03 -2.2012000000e-03 -9.0720000000e-04 -1.2433000000e-03  3.6342000000e-03  2.2520000000e-03 -2.6890000000e-03 -1.5421000000e-03 -5.2850000000e-04 -4.3488000000e-03  1.8660000000e-03 -2.4862000000e-03  2.0016000000e-03 -2.2736000000e-03  3.0315000000e-03  2.3064000000e-03  5.1670000000e-04
-
-JOB 80
-COORDS  1.7345430000e+00  1.6258700000e+00 -1.8102120000e+00  1.5679620000e+00  1.6537110000e+00 -8.6803000000e-01  2.6800830000e+00  1.7512990000e+00 -1.8905560000e+00 -1.7487080000e+00 -1.6804820000e+00  1.7966560000e+00 -1.3583630000e+00 -1.2048390000e+00  1.0634260000e+00 -2.6329970000e+00 -1.3218540000e+00  1.8718250000e+00
-ENERGY -1.526542607738e+02
-FORCES  3.6413000000e-03  8.0630000000e-04  3.3634000000e-03  2.6420000000e-04 -3.5630000000e-04 -3.8502000000e-03 -3.9277000000e-03 -4.7810000000e-04  3.4100000000e-04 -2.2414000000e-03  3.1591000000e-03 -2.9627000000e-03 -1.3972000000e-03 -1.7174000000e-03  3.3242000000e-03  3.6608000000e-03 -1.4136000000e-03 -2.1580000000e-04
-
-JOB 81
-COORDS -1.7273950000e+00 -6.1311700000e-01  2.6232610000e+00 -1.1948560000e+00 -5.4657600000e-01  3.4158550000e+00 -1.5987770000e+00  2.2373800000e-01  2.1767600000e+00  1.6953190000e+00  5.7924900000e-01 -2.7121790000e+00  2.3037600000e+00  4.1912000000e-02 -2.2049330000e+00  1.0478450000e+00  8.7689200000e-01 -2.0731030000e+00
-ENERGY -1.526538809080e+02
-FORCES  2.3503000000e-03  3.6703000000e-03  1.7879000000e-03 -2.0952000000e-03 -2.5820000000e-04 -3.4036000000e-03 -2.4250000000e-04 -3.4866000000e-03  1.5488000000e-03 -2.2730000000e-04 -1.2788000000e-03  4.5702000000e-03 -2.4387000000e-03  2.3488000000e-03 -2.0368000000e-03  2.6534000000e-03 -9.9550000000e-04 -2.4665000000e-03
-
-JOB 82
-COORDS -4.1995900000e-01 -2.7516840000e+00 -2.3171740000e+00 -3.6879200000e-01 -1.8247610000e+00 -2.0838770000e+00 -8.9858000000e-01 -3.1553230000e+00 -1.5931380000e+00  4.5092600000e-01  2.6639510000e+00  2.2374820000e+00 -2.9617200000e-01  3.2513280000e+00  2.1231850000e+00  1.0397490000e+00  3.1363240000e+00  2.8260250000e+00
-ENERGY -1.526544296102e+02
-FORCES -1.5727000000e-03  2.2915000000e-03  4.1162000000e-03 -3.3300000000e-04 -3.8599000000e-03 -1.1584000000e-03  1.8505000000e-03  1.5201000000e-03 -3.0195000000e-03 -4.9490000000e-04  4.4586000000e-03  2.0709000000e-03  3.0049000000e-03 -2.4915000000e-03  3.9760000000e-04 -2.4547000000e-03 -1.9188000000e-03 -2.4069000000e-03
-
-JOB 83
-COORDS -4.1100300000e-01  1.9362800000e+00 -3.0143680000e+00 -1.1479800000e+00  1.8067010000e+00 -2.4174540000e+00 -7.8120500000e-01  2.4233380000e+00 -3.7505450000e+00  4.3824100000e-01 -1.9857100000e+00  2.9738140000e+00  1.2564170000e+00 -2.2729060000e+00  3.3791990000e+00  2.3213000000e-01 -1.1585310000e+00  3.4091590000e+00
-ENERGY -1.526540398538e+02
-FORCES -4.5445000000e-03  1.2327000000e-03 -5.1470000000e-04  2.9872000000e-03  7.1190000000e-04 -2.4672000000e-03  1.5297000000e-03 -1.9423000000e-03  2.9955000000e-03  2.6811000000e-03  2.2269000000e-03  3.3142000000e-03 -3.3816000000e-03  1.1433000000e-03 -1.5769000000e-03  7.2810000000e-04 -3.3725000000e-03 -1.7508000000e-03
-
-JOB 84
-COORDS -3.5013400000e+00  6.7112000000e-01 -2.3856570000e+00 -4.3445460000e+00  1.1129850000e+00 -2.4856040000e+00 -2.9096780000e+00  1.1488030000e+00 -2.9670240000e+00  3.4812890000e+00 -6.7239600000e-01  2.3923110000e+00  3.4103860000e+00 -9.7184900000e-01  3.2986960000e+00  4.1654370000e+00 -1.2224180000e+00  2.0106710000e+00
-ENERGY -1.526539747278e+02
-FORCES -8.8090000000e-04  3.7946000000e-03 -2.6878000000e-03  3.4006000000e-03 -1.8225000000e-03  3.9460000000e-04 -2.4934000000e-03 -1.9585000000e-03  2.2935000000e-03  2.3654000000e-03 -3.5292000000e-03  2.1185000000e-03  3.4940000000e-04  1.2429000000e-03 -3.6755000000e-03 -2.7410000000e-03  2.2728000000e-03  1.5566000000e-03
-
-JOB 85
-COORDS  3.2628360000e+00 -9.2511000000e-02 -3.1093740000e+00  2.8155060000e+00  3.4939000000e-01 -2.3876740000e+00  4.1440750000e+00 -2.6320300000e-01 -2.7769390000e+00 -3.3469610000e+00  9.2320000000e-02  3.0553450000e+00 -2.6130100000e+00  7.0580400000e-01  3.0897760000e+00 -2.9366040000e+00 -7.6831900000e-01  2.9708540000e+00
-ENERGY -1.526539433823e+02
-FORCES  1.8199000000e-03  1.1485000000e-03  4.1971000000e-03  1.7995000000e-03 -1.8435000000e-03 -2.8682000000e-03 -3.6376000000e-03  6.8880000000e-04 -1.3146000000e-03  4.5821000000e-03 -1.0492000000e-03 -1.9280000000e-04 -2.9394000000e-03 -2.5019000000e-03 -1.7010000000e-04 -1.6246000000e-03  3.5573000000e-03  3.4860000000e-04
-
-JOB 86
-COORDS  4.8941210000e+00 -3.0813600000e-01  3.6924240000e+00  5.3901430000e+00  5.0199500000e-01  3.5746060000e+00  3.9806200000e+00 -2.5810000000e-02  3.7375870000e+00 -4.8361520000e+00  2.0705800000e-01 -3.7299840000e+00 -5.5842000000e+00  7.6288300000e-01 -3.9484170000e+00 -4.6751140000e+00  3.7536000000e-01 -2.8015590000e+00
-ENERGY -1.526540340879e+02
-FORCES -1.6856000000e-03  4.4446000000e-03 -3.2320000000e-04 -2.0334000000e-03 -3.3002000000e-03  4.9290000000e-04  3.7133000000e-03 -1.1435000000e-03 -1.7160000000e-04 -2.4161000000e-03  2.9265000000e-03  2.8788000000e-03  3.0626000000e-03 -2.2591000000e-03  9.0050000000e-04 -6.4080000000e-04 -6.6830000000e-04 -3.7775000000e-03
-
-JOB 87
-COORDS -4.1076130000e+00 -6.8435200000e-01  5.2157940000e+00 -4.6125500000e+00 -4.3985300000e-01  4.4402360000e+00 -3.5538380000e+00  7.6417000000e-02  5.3912820000e+00  4.0564580000e+00  6.0719100000e-01 -5.2238680000e+00  3.9547540000e+00  8.5136800000e-01 -4.3039410000e+00  4.9886620000e+00  7.3004700000e-01 -5.4031270000e+00
-ENERGY -1.526540681582e+02
-FORCES  1.7300000000e-04  4.0916000000e-03 -2.4557000000e-03  2.0716000000e-03 -9.9000000000e-04  3.1714000000e-03 -2.2428000000e-03 -3.1019000000e-03 -7.1550000000e-04  3.4104000000e-03  1.4715000000e-03  3.0113000000e-03  3.9730000000e-04 -9.8010000000e-04 -3.7472000000e-03 -3.8095000000e-03 -4.9110000000e-04  7.3560000000e-04
-
-JOB 88
-COORDS -5.3518770000e+00 -1.7358080000e+00  4.3654320000e+00 -6.0931080000e+00 -2.3144230000e+00  4.5443510000e+00 -4.6635590000e+00 -2.0372070000e+00  4.9583980000e+00  5.3656760000e+00  1.7891470000e+00 -4.3527750000e+00  4.9872710000e+00  2.5024340000e+00 -4.8668390000e+00  5.4979020000e+00  1.0820990000e+00 -4.9843060000e+00
-ENERGY -1.526540675177e+02
-FORCES -1.8720000000e-04 -3.5835000000e-03  3.1482000000e-03  3.0145000000e-03  2.3597000000e-03 -7.3300000000e-04 -2.8247000000e-03  1.2231000000e-03 -2.4137000000e-03 -1.0398000000e-03  2.8100000000e-05 -4.6636000000e-03  1.5614000000e-03 -2.9088000000e-03  2.0887000000e-03 -5.2420000000e-04  2.8815000000e-03  2.5733000000e-03
-
-JOB 89
-COORDS  6.7714420000e+00  3.9210740000e+00  1.5270030000e+00  7.0699400000e+00  4.5143140000e+00  2.2163480000e+00  5.8205500000e+00  4.0297540000e+00  1.5119880000e+00 -6.8029030000e+00 -3.9446840000e+00 -1.5834030000e+00 -6.5489200000e+00 -4.3626150000e+00 -7.6056800000e-01 -5.9731700000e+00 -3.7270500000e+00 -2.0081510000e+00
-ENERGY -1.526540804325e+02
-FORCES -2.6460000000e-03  2.8854000000e-03  2.7510000000e-03 -1.2236000000e-03 -2.4272000000e-03 -2.8113000000e-03  3.8711000000e-03 -4.5940000000e-04  5.9700000000e-05  4.4234000000e-03 -8.3420000000e-04  1.6126000000e-03 -1.0378000000e-03  1.7135000000e-03 -3.3512000000e-03 -3.3871000000e-03 -8.7810000000e-04  1.7391000000e-03
-
-JOB 0
-COORDS  6.5184400000e-01  9.0393700000e-01 -5.4500500000e-01  1.2993790000e+00  6.8565500000e-01  1.2528000000e-01  1.1277390000e+00  8.2835500000e-01 -1.3720740000e+00 -7.7912100000e-01 -9.0052100000e-01  5.5437700000e-01 -3.2667900000e-01 -4.2939500000e-01 -1.4531400000e-01 -8.7032000000e-02 -1.1339170000e+00  1.1730610000e+00
-ENERGY -1.526521674655e+02
-FORCES -3.2655000000e-03 -7.0804000000e-03  7.7300000000e-03 -4.8867000000e-03 -2.4407000000e-03 -3.8932000000e-03 -3.8114000000e-03 -2.0802000000e-03  5.5488000000e-03  1.2977300000e-02  1.6036500000e-02 -1.0329200000e-02 -7.9580000000e-04 -7.0281000000e-03  3.1393000000e-03 -2.1790000000e-04  2.5928000000e-03 -2.1957000000e-03
-
-JOB 1
-COORDS  4.9002000000e-01  1.3657900000e-01 -1.2326930000e+00  4.8508000000e-02  8.6895000000e-02 -3.8485400000e-01  1.1201500000e+00 -5.8379800000e-01 -1.2177110000e+00 -4.5091300000e-01 -1.2719900000e-01  1.1251570000e+00 -1.3116700000e+00  2.5167000000e-01  9.4686700000e-01 -2.8830500000e-01  7.0000000000e-02  2.0476020000e+00
-ENERGY -1.526539671835e+02
-FORCES -3.7928000000e-03 -4.7891000000e-03  2.1796900000e-02 -8.1708000000e-03  1.7571000000e-03 -4.3559000000e-03 -9.1350000000e-04  1.7805000000e-03 -3.1800000000e-05  8.1710000000e-03  3.9940000000e-03 -1.1457800000e-02  7.8984000000e-03 -1.2780000000e-03 -1.7151000000e-03 -3.1924000000e-03 -1.4645000000e-03 -4.2363000000e-03
-
-JOB 2
-COORDS -1.3560300000e-01  1.0698860000e+00  6.2207400000e-01 -8.8336400000e-01  1.4355380000e+00  1.4943900000e-01 -1.9415600000e-01  1.4531380000e+00  1.4972440000e+00  2.1735200000e-01 -1.1631630000e+00 -6.5301500000e-01 -4.0170400000e-01 -8.1390600000e-01 -1.2941240000e+00  1.3816700000e-01 -5.7814600000e-01  1.0045500000e-01
-ENERGY -1.526551640662e+02
-FORCES -1.2668000000e-03 -6.5610000000e-03 -5.6265000000e-03  3.7038000000e-03 -2.5811000000e-03  2.5231000000e-03 -1.7920000000e-04 -2.3772000000e-03 -5.1425000000e-03 -3.2986000000e-03  1.7852000000e-02  8.6826000000e-03  7.9140000000e-04 -2.1060000000e-04  1.3090000000e-03  2.4930000000e-04 -6.1221000000e-03 -1.7458000000e-03
-
-JOB 3
-COORDS -1.6664000000e-02  4.4758200000e-01 -1.2941880000e+00 -4.7870000000e-03  2.6675000000e-01 -3.5429900000e-01  9.0279600000e-01  4.0938300000e-01 -1.5575630000e+00 -6.1378000000e-02 -4.3598700000e-01  1.1955250000e+00 -4.8803600000e-01 -9.3285000000e-02  1.9808600000e+00  7.9030700000e-01 -7.4761900000e-01  1.5017120000e+00
-ENERGY -1.526582286309e+02
-FORCES  6.0300000000e-04 -5.6136000000e-03  1.6344900000e-02  1.8226000000e-03  3.1314000000e-03 -8.1935000000e-03 -2.0963000000e-03 -7.4390000000e-04  2.4164000000e-03  7.7280000000e-04  3.0368000000e-03 -5.3975000000e-03  3.3180000000e-03 -2.4920000000e-03 -3.5225000000e-03 -4.4201000000e-03  2.6813000000e-03 -1.6479000000e-03
-
-JOB 4
-COORDS -7.4539900000e-01  2.1865600000e-01  1.0365980000e+00 -3.4995500000e-01 -3.0383500000e-01  1.7343510000e+00 -1.4231860000e+00  7.3219200000e-01  1.4760510000e+00  7.8915300000e-01 -2.3615300000e-01 -1.1529150000e+00  3.5041000000e-02 -6.5653100000e-01 -7.3960000000e-01  9.9893300000e-01  4.9957500000e-01 -5.7765100000e-01
-ENERGY -1.526575235434e+02
-FORCES  6.1630000000e-04 -5.2600000000e-04  2.9620000000e-04 -1.8895000000e-03  2.6294000000e-03 -4.4730000000e-03  4.0799000000e-03 -2.4021000000e-03 -1.6963000000e-03 -9.4108000000e-03  5.0851000000e-03  1.1364700000e-02  2.9426000000e-03 -3.8319000000e-03 -2.8008000000e-03  3.6615000000e-03 -9.5450000000e-04 -2.6907000000e-03
-
-JOB 5
-COORDS -9.4781500000e-01 -7.4910800000e-01 -5.0043100000e-01 -1.2465510000e+00 -8.0385800000e-01 -1.4081700000e+00 -7.8144800000e-01 -1.6571300000e+00 -2.4735100000e-01  1.0229570000e+00  8.0829000000e-01  5.2358100000e-01  4.5205500000e-01  9.4409000000e-02  2.3954600000e-01  4.4801100000e-01  1.3937970000e+00  1.0163790000e+00
-ENERGY -1.526589792821e+02
-FORCES  2.9805000000e-03  2.6188000000e-03 -2.8264000000e-03  4.7040000000e-04 -1.4413000000e-03  4.9343000000e-03  1.2490000000e-03  6.2893000000e-03 -1.1643000000e-03 -1.3631200000e-02 -6.1911000000e-03 -5.3866000000e-03  7.1237000000e-03 -7.2100000000e-05  5.5717000000e-03  1.8075000000e-03 -1.2036000000e-03 -1.1287000000e-03
-
-JOB 6
-COORDS -3.5746100000e-01 -2.9879000000e-01  1.2325710000e+00 -6.5237200000e-01  1.8108500000e-01  2.0065090000e+00 -1.0802710000e+00 -8.9209500000e-01  1.0282020000e+00  3.9501000000e-01  2.5435500000e-01 -1.3102690000e+00  3.8321000000e-02  4.2591200000e-01 -4.3873400000e-01  1.0828670000e+00  9.1064000000e-01 -1.4215160000e+00
-ENERGY -1.526593111187e+02
-FORCES -1.8268000000e-03 -2.5385000000e-03 -1.8265000000e-03  1.4841000000e-03 -2.2151000000e-03 -4.5764000000e-03  3.4247000000e-03  4.6729000000e-03  1.3706000000e-03 -9.2380000000e-04 -5.5810000000e-04  1.2948800000e-02  1.8730000000e-04  2.2084000000e-03 -9.5838000000e-03 -2.3454000000e-03 -1.5696000000e-03  1.6671000000e-03
-
-JOB 7
-COORDS -5.9344500000e-01  7.5489200000e-01 -8.9171600000e-01 -1.1987330000e+00  1.3594970000e+00 -1.3210310000e+00 -2.6090000000e-03  4.7111800000e-01 -1.5892950000e+00  6.2121700000e-01 -8.2548300000e-01  9.3419500000e-01  3.6816400000e-01 -7.0251900000e-01  1.8491140000e+00  3.6804300000e-01 -9.0730000000e-03  5.0336900000e-01
-ENERGY -1.526583549123e+02
-FORCES  7.3610000000e-04 -2.5979000000e-03  1.8300000000e-05  2.7705000000e-03 -3.6532000000e-03  5.6440000000e-04 -2.5794000000e-03  2.6865000000e-03  4.7151000000e-03 -7.7177000000e-03  7.9905000000e-03 -4.0967000000e-03  2.3860000000e-04  2.1910000000e-04 -2.8989000000e-03  6.5519000000e-03 -4.6451000000e-03  1.6977000000e-03
-
-JOB 8
-COORDS  9.5657200000e-01  9.2969100000e-01 -1.3656000000e-01  1.7994660000e+00  8.9752900000e-01  3.1590700000e-01  4.6365800000e-01  1.6098980000e+00  3.2233500000e-01 -9.8945900000e-01 -1.0365560000e+00  5.9022000000e-02 -1.4993000000e-01 -5.8623100000e-01 -3.3882000000e-02 -1.5467830000e+00 -4.1190500000e-01  5.2317100000e-01
-ENERGY -1.526586052180e+02
-FORCES -1.6623000000e-03  1.4279000000e-03  3.1903000000e-03 -5.1352000000e-03 -1.2900000000e-04 -1.8633000000e-03  2.0058000000e-03 -4.5990000000e-03 -1.5578000000e-03  9.1320000000e-03  1.1321600000e-02 -4.2570000000e-04 -5.7748000000e-03 -7.0180000000e-03  1.6857000000e-03  1.4346000000e-03 -1.0035000000e-03 -1.0292000000e-03
-
-JOB 9
-COORDS -1.0516240000e+00 -8.0263500000e-01  1.4379600000e-01 -1.5549550000e+00 -1.0929890000e+00 -6.1685100000e-01 -1.6889040000e+00 -3.4649200000e-01  6.9337600000e-01  1.1239240000e+00  8.5032700000e-01 -1.0083400000e-01  4.3494400000e-01  1.9395000000e-01  2.6440000000e-03  1.7055820000e+00  4.8468000000e-01 -7.6732300000e-01
-ENERGY -1.526608332754e+02
-FORCES -4.4850000000e-04  4.3868000000e-03 -2.0565000000e-03  1.7429000000e-03  1.3896000000e-03  4.2094000000e-03  3.0722000000e-03 -2.5380000000e-03 -3.6350000000e-03 -9.6503000000e-03 -1.0289400000e-02 -3.1300000000e-04  7.8581000000e-03  6.6978000000e-03  3.9970000000e-04 -2.5744000000e-03  3.5320000000e-04  1.3954000000e-03
-
-JOB 10
-COORDS -3.2347200000e-01  6.9978300000e-01  1.1798920000e+00  4.4403300000e-01  1.1660760000e+00  1.5111600000e+00  2.1114000000e-02  1.2626900000e-01  4.9536700000e-01  2.4555600000e-01 -7.1756200000e-01 -1.0984240000e+00  9.2548600000e-01 -1.0317150000e+00 -1.6944400000e+00 -1.1137200000e-01  5.8979000000e-02 -1.5294910000e+00
-ENERGY -1.526600015102e+02
-FORCES  6.0626000000e-03 -7.3104000000e-03 -7.0736000000e-03 -1.9227000000e-03 -1.6565000000e-03 -1.9462000000e-03 -4.4829000000e-03  8.1737000000e-03  3.7062000000e-03  5.9600000000e-04  2.2930000000e-03 -6.7530000000e-04 -3.8389000000e-03  2.5533000000e-03  1.6616000000e-03  3.5858000000e-03 -4.0531000000e-03  4.3273000000e-03
-
-JOB 11
-COORDS -3.0419300000e-01 -1.3618430000e+00  3.3407400000e-01 -3.3786100000e-01 -4.2355300000e-01  1.4776800000e-01  5.7300900000e-01 -1.6295910000e+00  6.0106000000e-02  2.5818800000e-01  1.2559580000e+00 -3.0958000000e-01  6.1154400000e-01  1.8632420000e+00 -9.5964000000e-01 -1.1312600000e-01  1.8199570000e+00  3.6884600000e-01
-ENERGY -1.526590291832e+02
-FORCES  6.4959000000e-03  1.1586200000e-02 -5.4567000000e-03 -4.1005000000e-03 -3.8283000000e-03  5.2989000000e-03 -2.2716000000e-03 -8.6850000000e-04  7.1520000000e-04 -1.8290000000e-04 -1.4806000000e-03 -9.0710000000e-04 -1.2604000000e-03 -1.4987000000e-03  4.3811000000e-03  1.3193000000e-03 -3.9100000000e-03 -4.0314000000e-03
-
-JOB 12
-COORDS  1.0596350000e+00  3.0976500000e-01  9.0446300000e-01  1.2148200000e-01  3.4585800000e-01  7.1791700000e-01  1.4463580000e+00  9.5865700000e-01  3.1657200000e-01 -1.0272490000e+00 -2.9698900000e-01 -8.1356700000e-01 -2.9301200000e-01 -8.7982700000e-01 -1.0070330000e+00 -1.7331640000e+00 -6.0314500000e-01 -1.3829400000e+00
-ENERGY -1.526602152563e+02
-FORCES -7.7960000000e-03  3.5442000000e-03 -4.9523000000e-03  6.7649000000e-03 -1.3805000000e-03  2.1805000000e-03 -5.4980000000e-04 -3.0545000000e-03  1.4763000000e-03  2.1744000000e-03 -2.8148000000e-03 -4.3910000000e-04 -5.1155000000e-03  3.3921000000e-03  1.1260000000e-04  4.5221000000e-03  3.1350000000e-04  1.6219000000e-03
-
-JOB 13
-COORDS  5.1413900000e-01  1.2470270000e+00  3.3504400000e-01  8.2003200000e-01  1.1189980000e+00 -5.6288100000e-01 -2.8990900000e-01  1.7583590000e+00  2.4405400000e-01 -5.4058900000e-01 -1.2717290000e+00 -2.6460300000e-01 -6.0136000000e-02 -1.8798600000e+00 -8.2636100000e-01  9.2419000000e-02 -5.8378100000e-01 -5.9027000000e-02
-ENERGY -1.526568802241e+02
-FORCES -6.5001000000e-03  1.9641000000e-03 -3.8681000000e-03 -2.6092000000e-03 -5.6678000000e-03  5.8827000000e-03  4.9658000000e-03 -1.7040000000e-03  2.5370000000e-04  5.0639000000e-03  7.1190000000e-03  4.5175000000e-03 -2.6920000000e-04  4.5788000000e-03  1.7631000000e-03 -6.5120000000e-04 -6.2901000000e-03 -8.5488000000e-03
-
-JOB 14
-COORDS -5.8951900000e-01  1.2241790000e+00 -1.1802600000e-01  1.2900000000e-01  1.6997400000e+00 -5.3492500000e-01 -1.2514700000e+00  1.1396880000e+00 -8.0425700000e-01  5.7283600000e-01 -1.2704000000e+00  2.4353700000e-01  1.3238650000e+00 -1.4915180000e+00 -3.0718400000e-01  7.0978000000e-02 -6.4228700000e-01 -2.7592800000e-01
-ENERGY -1.526553084668e+02
-FORCES  2.2790000000e-03  3.0568000000e-03 -3.6000000000e-04 -3.7321000000e-03 -4.0894000000e-03  1.1144000000e-03  5.6471000000e-03 -3.2644000000e-03  3.4264000000e-03 -3.9688000000e-03  9.9331000000e-03 -2.4310000000e-03 -2.9497000000e-03  2.8176000000e-03  1.4538000000e-03  2.7245000000e-03 -8.4537000000e-03 -3.2036000000e-03
-
-JOB 15
-COORDS  3.5157400000e-01  5.5384400000e-01 -1.2285540000e+00  9.7820100000e-01  1.1193030000e+00 -7.7708300000e-01 -4.7001400000e-01  1.0447060000e+00 -1.2118270000e+00 -3.4330600000e-01 -5.8703700000e-01  1.2533840000e+00 -6.8706700000e-01 -1.4645840000e+00  1.0861370000e+00  2.3419000000e-02 -3.0896600000e-01  4.1408600000e-01
-ENERGY -1.526602975415e+02
-FORCES -2.1293000000e-03  5.3867000000e-03  1.0084000000e-03 -4.7834000000e-03 -5.3979000000e-03 -1.8300000000e-05  4.8033000000e-03 -3.5644000000e-03  1.0079000000e-03  2.9688000000e-03  3.7710000000e-04 -1.2442300000e-02  7.6410000000e-04  2.9707000000e-03 -1.8600000000e-05 -1.6233000000e-03  2.2780000000e-04  1.0463000000e-02
-
-JOB 16
-COORDS  5.8270200000e-01 -1.3159840000e+00 -4.2222000000e-02 -2.5463800000e-01 -1.4947760000e+00  3.8571200000e-01  1.0626500000e+00 -7.7599200000e-01  5.8570300000e-01 -5.5658900000e-01  1.3158960000e+00  4.1483000000e-02 -1.0863480000e+00  1.7203390000e+00 -6.4554900000e-01 -1.5005500000e-01  5.6013600000e-01 -3.8253100000e-01
-ENERGY -1.526599925753e+02
-FORCES -1.7059000000e-03 -1.0280000000e-04  7.8648000000e-03  4.0137000000e-03  1.7834000000e-03 -3.6959000000e-03 -3.6711000000e-03 -7.1320000000e-04 -5.8270000000e-03  2.2591000000e-03 -5.7879000000e-03 -5.2355000000e-03  1.9412000000e-03 -2.7691000000e-03  1.9391000000e-03 -2.8369000000e-03  7.5896000000e-03  4.9545000000e-03
-
-JOB 17
-COORDS -9.1031000000e-02  1.2901570000e+00 -7.3172000000e-01 -6.6324700000e-01  1.2482870000e+00  3.4470000000e-02  2.5441600000e-01  4.0205000000e-01 -8.2207700000e-01  1.1054600000e-01 -1.1711990000e+00  6.5704000000e-01 -6.2112000000e-01 -1.7872210000e+00  6.1944200000e-01  7.3069200000e-01 -1.5720360000e+00  1.2661210000e+00
-ENERGY -1.526589168455e+02
-FORCES  3.8150000000e-04 -1.0452300000e-02  8.0612000000e-03 -5.3990000000e-04  3.0087000000e-03 -2.6243000000e-03 -1.1710000000e-04  4.3855000000e-03 -4.7404000000e-03  3.2300000000e-04 -1.9337000000e-03  1.6931000000e-03  3.5098000000e-03  3.5464000000e-03  4.1410000000e-04 -3.5573000000e-03  1.4453000000e-03 -2.8037000000e-03
-
-JOB 18
-COORDS -1.2638640000e+00  1.7254400000e-01 -6.9657200000e-01 -9.2002300000e-01  8.1998400000e-01 -1.3120620000e+00 -1.0609850000e+00  5.3128900000e-01  1.6735700000e-01  1.2545240000e+00 -2.8360300000e-01  7.2422100000e-01  4.9115900000e-01 -2.5484700000e-01  1.4743700000e-01  1.6656740000e+00  5.7462700000e-01  6.2112900000e-01
-ENERGY -1.526548998184e+02
-FORCES -9.1610000000e-04  5.6923000000e-03  8.7480000000e-04  1.4400000000e-04 -4.1224000000e-03  4.3529000000e-03  6.3038000000e-03 -5.5788000000e-03 -6.3062000000e-03 -4.1990000000e-03  8.2330000000e-04 -7.2002000000e-03  2.1362000000e-03  5.8708000000e-03  8.2727000000e-03 -3.4688000000e-03 -2.6852000000e-03  6.0000000000e-06
-
-JOB 19
-COORDS  9.8660200000e-01  7.1138700000e-01  6.4432900000e-01  1.4855740000e+00  2.0368200000e-01  1.2842450000e+00  1.6522540000e+00  1.1433260000e+00  1.0900800000e-01 -1.1135350000e+00 -6.7979000000e-01 -6.7637300000e-01 -4.4605900000e-01 -1.8198800000e-01 -2.0425000000e-01 -7.6723400000e-01 -1.5714230000e+00 -7.1239500000e-01
-ENERGY -1.526611045301e+02
-FORCES  3.0070000000e-03 -5.5340000000e-04 -7.8340000000e-04 -1.9865000000e-03  2.2136000000e-03 -4.0458000000e-03 -2.5616000000e-03 -2.7067000000e-03  3.4564000000e-03  9.7566000000e-03  3.7890000000e-03  5.5180000000e-03 -7.6506000000e-03 -5.3013000000e-03 -4.6383000000e-03 -5.6490000000e-04  2.5588000000e-03  4.9310000000e-04
-
-JOB 20
-COORDS  6.2816000000e-02 -1.5650000000e-02  1.5271950000e+00  4.7846100000e-01 -8.5216300000e-01  1.7362790000e+00 -2.0665300000e-01 -1.0345400000e-01  6.1291400000e-01 -4.3457000000e-02  8.6928000000e-02 -1.4294150000e+00 -5.8965500000e-01  5.8951700000e-01 -2.0338180000e+00  3.1969000000e-02 -7.7655800000e-01 -1.8355360000e+00
-ENERGY -1.526598498840e+02
-FORCES  8.2150000000e-04 -1.4795000000e-03 -8.7377000000e-03 -1.4262000000e-03  2.3393000000e-03 -1.2697000000e-03 -3.3570000000e-04 -2.2045000000e-03  9.7752000000e-03 -1.1378000000e-03  4.4120000000e-04 -4.9816000000e-03  2.8590000000e-03 -3.1176000000e-03  2.2354000000e-03 -7.8090000000e-04  4.0211000000e-03  2.9782000000e-03
-
-JOB 21
-COORDS -6.8037000000e-02 -1.1627090000e+00  8.7292900000e-01 -9.3239700000e-01 -1.5717270000e+00  8.3029500000e-01  5.3169800000e-01 -1.8347030000e+00  5.4892900000e-01  9.4547000000e-02  1.2921400000e+00 -8.4238500000e-01 -2.0108400000e-01  8.7694400000e-01 -1.6525990000e+00  1.9399400000e-01  5.6817600000e-01 -2.2414800000e-01
-ENERGY -1.526606885593e+02
-FORCES -2.4322000000e-03 -5.1522000000e-03  6.4100000000e-05  4.7188000000e-03  1.2263000000e-03 -3.2300000000e-04 -3.4600000000e-03  3.8633000000e-03  6.1150000000e-04 -1.3760000000e-03 -8.9021000000e-03  3.6097000000e-03  8.2340000000e-04  1.2003000000e-03  2.2461000000e-03  1.7260000000e-03  7.7644000000e-03 -6.2085000000e-03
-
-JOB 22
-COORDS  4.0103400000e-01  1.0193060000e+00  9.8327400000e-01  6.6736400000e-01  1.5790310000e+00  2.5388500000e-01 -2.8625900000e-01  1.5154050000e+00  1.4279590000e+00 -3.8310600000e-01 -1.1408830000e+00 -9.7601500000e-01 -9.2772000000e-02 -7.3275400000e-01 -1.6031300000e-01 -5.7112700000e-01 -4.0519600000e-01 -1.5588050000e+00
-ENERGY -1.526593790227e+02
-FORCES -1.4160000000e-03  5.6604000000e-03  3.8900000000e-05 -2.5526000000e-03 -3.6462000000e-03  2.6718000000e-03  3.4383000000e-03 -1.9789000000e-03 -2.7851000000e-03  1.4032000000e-03  7.8428000000e-03  5.4786000000e-03 -1.7085000000e-03 -5.9562000000e-03 -6.5070000000e-03  8.3560000000e-04 -1.9218000000e-03  1.1028000000e-03
-
-JOB 23
-COORDS -1.3366090000e+00 -4.0007900000e-01  5.7274800000e-01 -4.4943200000e-01 -2.6373200000e-01  9.0525300000e-01 -1.9041470000e+00 -2.6840000000e-03  1.2332100000e+00  1.2708630000e+00  4.1605100000e-01 -6.1591600000e-01  2.2086830000e+00  5.8964400000e-01 -5.3473600000e-01  1.2165350000e+00 -5.1689200000e-01 -8.2303300000e-01
-ENERGY -1.526567651216e+02
-FORCES  3.7525000000e-03  4.9899000000e-03  2.1547000000e-03 -5.4128000000e-03 -4.7003000000e-03  7.3250000000e-04  2.4247000000e-03 -1.2075000000e-03 -2.2596000000e-03  2.9818000000e-03 -2.8936000000e-03 -4.0461000000e-03 -4.6685000000e-03 -7.7770000000e-04  3.1100000000e-05  9.2220000000e-04  4.5893000000e-03  3.3873000000e-03
-
-JOB 24
-COORDS -6.8252200000e-01  1.3414730000e+00 -9.1675000000e-02  1.9377000000e-01  1.7266060000e+00 -9.5870000000e-02 -9.1743300000e-01  1.2694290000e+00 -1.0168010000e+00  6.0536500000e-01 -1.3897980000e+00  1.9506600000e-01  1.4139460000e+00 -1.6707830000e+00 -2.3327600000e-01  4.0877700000e-01 -5.3929600000e-01 -1.9765800000e-01
-ENERGY -1.526562148383e+02
-FORCES -5.9410000000e-04  5.4214000000e-03 -1.9551000000e-03 -3.7328000000e-03 -5.2428000000e-03 -9.3430000000e-04  3.1398000000e-03 -1.7216000000e-03  5.1033000000e-03 -1.5209000000e-03  5.2384000000e-03 -1.6463000000e-03 -3.3534000000e-03  2.6530000000e-03  1.2580000000e-03  6.0614000000e-03 -6.3484000000e-03 -1.8257000000e-03
-
-JOB 25
-COORDS  7.8258300000e-01 -4.9439100000e-01 -1.1940890000e+00 -1.3535400000e-01 -6.9465800000e-01 -1.3771630000e+00  9.8931500000e-01  2.3699900000e-01 -1.7759510000e+00 -7.7413700000e-01  5.1451100000e-01  1.1846340000e+00 -8.7568500000e-01  4.9140000000e-01  2.1361520000e+00 -1.9726700000e-01 -2.2328200000e-01  9.8685800000e-01
-ENERGY -1.526581727236e+02
-FORCES -3.2356000000e-03  5.3692000000e-03 -3.8265000000e-03  4.6238000000e-03 -1.8720000000e-04  2.1886000000e-03 -5.8560000000e-04 -3.7665000000e-03  1.1816000000e-03  4.5152000000e-03 -2.9185000000e-03  7.8990000000e-04  1.1932000000e-03 -2.1630000000e-04 -3.9454000000e-03 -6.5110000000e-03  1.7193000000e-03  3.6119000000e-03
-
-JOB 26
-COORDS -1.0075590000e+00 -1.4054700000e-01  1.0998730000e+00 -1.7118850000e+00  4.8899900000e-01  9.4551300000e-01 -1.4308460000e+00 -9.9620000000e-01  1.0297420000e+00  1.0613270000e+00  1.7894100000e-01 -1.1420210000e+00  4.6482800000e-01  2.8302000000e-02 -4.0872100000e-01  1.9230860000e+00 -6.5315000000e-02 -8.0446800000e-01
-ENERGY -1.526618851630e+02
-FORCES -6.7290000000e-03 -4.2340000000e-04  9.1430000000e-04  3.2479000000e-03 -3.6913000000e-03  6.8980000000e-04  2.2615000000e-03  4.4103000000e-03 -2.9500000000e-05 -2.4624000000e-03 -1.2848000000e-03  7.8207000000e-03  6.5800000000e-03  5.2000000000e-04 -8.4212000000e-03 -2.8981000000e-03  4.6920000000e-04 -9.7410000000e-04
-
-JOB 27
-COORDS  6.1379500000e-01 -5.7768500000e-01  1.3460140000e+00  5.3625400000e-01 -4.8052100000e-01  3.9692100000e-01  5.2621000000e-01  3.1266700000e-01  1.6863570000e+00 -5.9865300000e-01  5.3472700000e-01 -1.2528370000e+00  8.8801000000e-02  3.3805800000e-01 -1.8892010000e+00 -1.4123570000e+00  4.7992300000e-01 -1.7539500000e+00
-ENERGY -1.526582202111e+02
-FORCES -4.6664000000e-03  6.1491000000e-03 -5.7148000000e-03  5.6518000000e-03 -3.0290000000e-03  3.7394000000e-03  1.1549000000e-03 -3.1920000000e-03  3.9670000000e-04 -3.6744000000e-03 -4.3720000000e-04 -4.8699000000e-03 -2.6030000000e-03 -3.5540000000e-04  5.1041000000e-03  4.1370000000e-03  8.6450000000e-04  1.3446000000e-03
-
-JOB 28
-COORDS  1.4593620000e+00 -5.1986500000e-01  2.4305900000e-01  2.0998570000e+00  1.2738900000e-01 -5.2001000000e-02  7.2059400000e-01 -4.1720500000e-01 -3.5687000000e-01 -1.4389370000e+00  5.3160700000e-01 -1.4190400000e-01 -1.2024260000e+00  5.1687400000e-01 -1.0693080000e+00 -1.9186060000e+00 -2.8509900000e-01 -3.5590000000e-03
-ENERGY -1.526534218065e+02
-FORCES -4.2836000000e-03  5.5560000000e-03 -1.6252000000e-03 -2.6388000000e-03 -2.5450000000e-03  6.7570000000e-04  4.5717000000e-03 -2.8665000000e-03 -2.2000000000e-03 -3.6073000000e-03 -2.3957000000e-03 -1.0435000000e-03  2.8822000000e-03 -1.6028000000e-03  5.5409000000e-03  3.0759000000e-03  3.8540000000e-03 -1.3479000000e-03
-
-JOB 29
-COORDS -8.8433300000e-01  4.4419200000e-01 -1.1507940000e+00 -1.1829930000e+00  1.2711310000e+00 -1.5292200000e+00 -1.5275560000e+00  2.4548300000e-01 -4.7034400000e-01  9.9669800000e-01 -4.5249400000e-01  1.1306040000e+00  3.5194600000e-01 -3.5293900000e-01  4.3016400000e-01  5.2730900000e-01 -9.1493400000e-01  1.8249060000e+00
-ENERGY -1.526570000519e+02
-FORCES -3.8180000000e-03  5.8330000000e-03 -1.1039000000e-03  7.6000000000e-06 -4.2196000000e-03  1.3991000000e-03  6.3802000000e-03 -5.7140000000e-04 -1.2554000000e-03 -3.6353000000e-03  1.8650000000e-04 -3.9634000000e-03  5.5080000000e-04 -3.5126000000e-03  8.1983000000e-03  5.1460000000e-04  2.2840000000e-03 -3.2748000000e-03
-
-JOB 30
-COORDS -5.0599000000e-01 -3.6476000000e-02 -1.4809560000e+00  1.3263400000e-01 -2.8826500000e-01 -2.1480350000e+00  2.4133000000e-02  2.4792500000e-01 -7.3643100000e-01  4.9704800000e-01  5.8881000000e-02  1.4399660000e+00 -3.6854400000e-01  4.2490600000e-01  1.6216430000e+00  5.1299800000e-01 -7.6918400000e-01  1.9198470000e+00
-ENERGY -1.526599457611e+02
-FORCES  6.3640000000e-03 -4.0750000000e-04  3.9700000000e-03 -2.0484000000e-03  6.2710000000e-04  2.4294000000e-03 -5.0605000000e-03  1.4528000000e-03 -7.3480000000e-03 -3.8208000000e-03 -4.2090000000e-03  4.3521000000e-03  4.6394000000e-03 -1.5592000000e-03 -2.3015000000e-03 -7.3700000000e-05  4.0958000000e-03 -1.1020000000e-03
-
-JOB 31
-COORDS  7.9887400000e-01 -8.9995400000e-01  8.7514400000e-01  6.2747600000e-01 -1.8378810000e+00  7.9059800000e-01  1.2235240000e+00 -8.0953400000e-01  1.7282150000e+00 -7.9663200000e-01  9.9900900000e-01 -9.6303700000e-01 -1.6113250000e+00  5.0023800000e-01 -9.0193400000e-01 -2.4163700000e-01  6.3771200000e-01 -2.7189500000e-01
-ENERGY -1.526604034842e+02
-FORCES  1.7009000000e-03 -4.6289000000e-03  2.5788000000e-03  8.6130000000e-04  4.0950000000e-03  1.3866000000e-03 -2.0682000000e-03 -9.7590000000e-04 -3.9038000000e-03  1.8276000000e-03 -6.1511000000e-03  5.5666000000e-03  2.1733000000e-03  1.5479000000e-03 -7.4380000000e-04 -4.4950000000e-03  6.1130000000e-03 -4.8845000000e-03
-
-JOB 32
-COORDS -4.6506400000e-01 -7.1577600000e-01 -1.3081430000e+00 -1.4004720000e+00 -9.1843100000e-01 -1.3213270000e+00 -1.1140200000e-01 -1.2604190000e+00 -6.0492200000e-01  5.2122500000e-01  8.1189300000e-01  1.2568590000e+00  6.9283500000e-01  2.0891800000e-01  1.9801870000e+00 -1.3154300000e-01  3.6280800000e-01  7.1978400000e-01
-ENERGY -1.526547077763e+02
-FORCES -9.7400000000e-04 -5.1813000000e-03 -1.2053000000e-03  4.9199000000e-03  1.7832000000e-03  1.4572000000e-03 -3.3453000000e-03  5.5748000000e-03 -4.6480000000e-04 -2.8390000000e-03 -2.4468000000e-03 -2.2804000000e-03 -9.7260000000e-04  1.2997000000e-03 -4.1732000000e-03  3.2111000000e-03 -1.0296000000e-03  6.6664000000e-03
-
-JOB 33
-COORDS -1.0377960000e+00  2.1575700000e-01  1.1394220000e+00 -1.5744350000e+00 -4.6853100000e-01  1.5394230000e+00 -3.3706800000e-01  3.7199800000e-01  1.7725110000e+00  1.0169440000e+00 -1.7380300000e-01 -1.2662480000e+00  3.5303800000e-01 -1.9750900000e-01 -5.7711900000e-01  1.8380120000e+00 -3.7070000000e-01 -8.1534800000e-01
-ENERGY -1.526594457373e+02
-FORCES -2.4647000000e-03 -8.7690000000e-04  6.7322000000e-03  3.0397000000e-03  3.3826000000e-03 -1.5544000000e-03 -2.4164000000e-03 -1.9519000000e-03 -4.4046000000e-03 -3.0237000000e-03 -1.9100000000e-04  5.9669000000e-03  7.8788000000e-03 -1.2456000000e-03 -5.8598000000e-03 -3.0139000000e-03  8.8290000000e-04 -8.8030000000e-04
-
-JOB 34
-COORDS  5.6949500000e-01 -4.0117300000e-01  1.3791600000e+00  1.3523450000e+00 -1.0238400000e-01  1.8418720000e+00  3.1380000000e-02 -8.0993800000e-01  2.0570800000e+00 -6.2691400000e-01  4.3999100000e-01 -1.4210190000e+00  2.3294300000e-01  7.4723200000e-01 -1.7082150000e+00 -6.8403100000e-01 -4.5659300000e-01 -1.7513330000e+00
-ENERGY -1.526520293706e+02
-FORCES -6.9820000000e-04  3.3990000000e-04  4.4196000000e-03 -3.1655000000e-03 -1.0083000000e-03 -2.8550000000e-03  2.4657000000e-03  1.3287000000e-03 -3.0322000000e-03  5.4087000000e-03 -3.6857000000e-03  1.3144000000e-03 -3.4216000000e-03 -4.5150000000e-04 -1.7980000000e-04 -5.8910000000e-04  3.4768000000e-03  3.3300000000e-04
-
-JOB 35
-COORDS -5.5662500000e-01 -2.9577600000e-01  1.5621950000e+00 -1.2304200000e+00  3.1798300000e-01  1.2697370000e+00  2.3199000000e-01 -2.9537000000e-02  1.0895050000e+00  6.0327500000e-01  2.7544100000e-01 -1.4776630000e+00  3.4907500000e-01 -6.3752200000e-01 -1.6122440000e+00  2.9468000000e-02  7.7273600000e-01 -2.0604800000e+00
-ENERGY -1.526583325792e+02
-FORCES  1.8432000000e-03  5.2231000000e-03 -5.5675000000e-03  1.2160000000e-03 -2.5172000000e-03  1.7351000000e-03 -3.0642000000e-03 -2.8020000000e-03  5.1184000000e-03 -3.5417000000e-03 -2.2661000000e-03 -4.6727000000e-03  1.4056000000e-03  4.6075000000e-03  6.5170000000e-04  2.1411000000e-03 -2.2453000000e-03  2.7350000000e-03
-
-JOB 36
-COORDS -1.2221740000e+00 -2.0549900000e-01 -1.0628780000e+00 -1.7554960000e+00 -9.4638800000e-01 -7.7498500000e-01 -6.0588300000e-01 -5.8296500000e-01 -1.6905220000e+00  1.2543350000e+00  2.0804200000e-01  1.0776010000e+00  1.5626770000e+00  1.0388090000e+00  1.4395160000e+00  3.5850100000e-01  3.8820300000e-01  7.9254800000e-01
-ENERGY -1.526596403348e+02
-FORCES -5.8900000000e-05 -5.7764000000e-03 -3.9661000000e-03  2.5614000000e-03  3.4691000000e-03 -9.5220000000e-04 -3.5527000000e-03  1.6435000000e-03  2.6074000000e-03 -4.2813000000e-03  3.6733000000e-03 -1.2668000000e-03 -1.3589000000e-03 -2.9469000000e-03 -1.5091000000e-03  6.6904000000e-03 -6.2600000000e-05  5.0868000000e-03
-
-JOB 37
-COORDS  2.6911500000e-01 -5.1478500000e-01  1.5839740000e+00  5.0562300000e-01 -3.9456600000e-01  6.6427600000e-01  1.0818450000e+00 -3.5478200000e-01  2.0636620000e+00 -2.7231100000e-01  5.0230000000e-01 -1.5414910000e+00 -7.3380500000e-01  4.4356300000e-01 -2.3780340000e+00 -9.6433900000e-01  4.5555700000e-01 -8.8183700000e-01
-ENERGY -1.526585893901e+02
-FORCES  5.7398000000e-03  1.0151000000e-03 -2.3508000000e-03 -3.3929000000e-03 -3.1220000000e-04  6.4292000000e-03 -3.0062000000e-03 -8.8070000000e-04 -1.6940000000e-03 -5.9878000000e-03  4.1640000000e-04 -2.9063000000e-03  1.4029000000e-03  7.6430000000e-04  3.5982000000e-03  5.2442000000e-03 -1.0029000000e-03 -3.0763000000e-03
-
-JOB 38
-COORDS -1.0403880000e+00  1.1183010000e+00  8.0221100000e-01 -1.2787660000e+00  5.2675400000e-01  8.8433000000e-02 -3.5435100000e-01  1.6748660000e+00  4.3367400000e-01  1.0061620000e+00 -1.0694240000e+00 -7.7965800000e-01  5.6539100000e-01 -1.3581210000e+00  1.9471000000e-02  1.7045130000e+00 -1.7102360000e+00 -9.1343300000e-01
-ENERGY -1.526573008599e+02
-FORCES  2.8195000000e-03  8.8340000000e-04 -6.2341000000e-03  2.5240000000e-04  1.2090000000e-03  4.5945000000e-03 -3.4690000000e-03 -1.1700000000e-03  2.4616000000e-03  2.0821000000e-03 -4.3252000000e-03  3.2041000000e-03  1.1641000000e-03  7.5140000000e-04 -4.9886000000e-03 -2.8491000000e-03  2.6514000000e-03  9.6250000000e-04
-
-JOB 39
-COORDS  3.2840300000e-01  1.0181960000e+00 -1.3548210000e+00 -2.9453400000e-01  1.2016430000e+00 -6.5159500000e-01  1.0954690000e+00  1.5491470000e+00 -1.1405000000e+00 -2.9548500000e-01 -1.0016510000e+00  1.3318230000e+00 -2.6624500000e-01 -1.3507380000e+00  4.4102800000e-01 -9.5236800000e-01 -1.5363830000e+00  1.7776910000e+00
-ENERGY -1.526578696612e+02
-FORCES  9.7510000000e-04  3.6805000000e-03  5.1434000000e-03  2.2634000000e-03 -4.7380000000e-04 -4.8608000000e-03 -3.0244000000e-03 -1.7520000000e-03 -1.3616000000e-03 -1.3340000000e-03 -4.8316000000e-03 -2.1417000000e-03 -1.4934000000e-03  1.0562000000e-03  5.3479000000e-03  2.6134000000e-03  2.3207000000e-03 -2.1272000000e-03
-
-JOB 40
-COORDS  6.2569500000e-01 -1.5332940000e+00 -3.5451300000e-01 -2.9013600000e-01 -1.2577410000e+00 -3.9396500000e-01  6.4071600000e-01 -2.3807160000e+00 -7.9935200000e-01 -6.1196600000e-01  1.5477160000e+00  3.3776100000e-01 -8.0017700000e-01  2.2246050000e+00  9.8786100000e-01  2.7686300000e-01  1.2580010000e+00  5.4338600000e-01
-ENERGY -1.526582860330e+02
-FORCES -4.2882000000e-03 -2.4459000000e-03 -2.4972000000e-03  5.2118000000e-03 -2.8596000000e-03  1.0380000000e-04 -4.6860000000e-04  3.2272000000e-03  1.7411000000e-03  3.7758000000e-03  2.3228000000e-03  3.6163000000e-03  1.0371000000e-03 -2.5830000000e-03 -2.5902000000e-03 -5.2678000000e-03  2.3385000000e-03 -3.7380000000e-04
-
-JOB 41
-COORDS -8.0123500000e-01 -1.3803190000e+00 -5.2277500000e-01 -1.5212780000e+00 -8.5403100000e-01 -8.7032600000e-01 -1.2139750000e+00 -2.1980870000e+00 -2.4504800000e-01  8.3382600000e-01  1.4035060000e+00  5.8694900000e-01  7.8914100000e-01  2.0292940000e+00 -1.3597800000e-01  1.3953780000e+00  7.0013100000e-01  2.6113400000e-01
-ENERGY -1.526549050489e+02
-FORCES -5.4045000000e-03 -4.5600000000e-05  7.8630000000e-04  2.7362000000e-03 -2.8294000000e-03  4.0100000000e-04  1.7644000000e-03  3.3741000000e-03 -1.1315000000e-03  1.6748000000e-03 -2.9493000000e-03 -4.5148000000e-03 -3.5870000000e-04 -2.2693000000e-03  2.7275000000e-03 -4.1220000000e-04  4.7195000000e-03  1.7316000000e-03
-
-JOB 42
-COORDS  1.0229200000e-01 -1.3908250000e+00 -9.6632700000e-01  4.4148100000e-01 -2.2397760000e+00 -6.8266200000e-01  8.3310400000e-01 -9.8367800000e-01 -1.4314910000e+00 -1.4112900000e-01  1.4139020000e+00  1.0382810000e+00 -2.3921200000e-01  2.1719350000e+00  4.6208900000e-01 -3.9687700000e-01  6.6668200000e-01  4.9746000000e-01
-ENERGY -1.526587931720e+02
-FORCES  5.4338000000e-03 -4.3195000000e-03 -1.1780000000e-03 -1.2180000000e-03  3.5417000000e-03 -1.9011000000e-03 -3.7741000000e-03 -1.2951000000e-03  2.1908000000e-03 -2.1322000000e-03 -2.2172000000e-03 -4.7798000000e-03  8.0180000000e-04 -2.8625000000e-03  1.8478000000e-03  8.8870000000e-04  7.1526000000e-03  3.8204000000e-03
-
-JOB 43
-COORDS  7.3665800000e-01  6.2282600000e-01  1.5117920000e+00  9.0896100000e-01  1.3246150000e+00  8.8406900000e-01  8.8173000000e-02  6.7544000000e-02  1.0789400000e+00 -7.4993200000e-01 -6.1074500000e-01 -1.5072320000e+00 -1.0003740000e+00 -7.7244900000e-01 -5.9763700000e-01  1.8360600000e-01 -8.1972100000e-01 -1.5398960000e+00
-ENERGY -1.526526875894e+02
-FORCES -2.2896000000e-03  2.4754000000e-03 -4.8082000000e-03  2.9300000000e-05 -3.3348000000e-03  3.2466000000e-03  1.4620000000e-03 -4.6520000000e-04  7.1570000000e-04  2.4292000000e-03 -3.4927000000e-03  1.7933000000e-03  3.0836000000e-03  2.9939000000e-03 -1.6415000000e-03 -4.7145000000e-03  1.8234000000e-03  6.9410000000e-04
-
-JOB 44
-COORDS  1.3134640000e+00  8.4829500000e-01 -7.8234000000e-01  1.9811640000e+00  5.6677700000e-01 -1.4077640000e+00  4.9385900000e-01  8.1656600000e-01 -1.2757690000e+00 -1.3034980000e+00 -7.8479200000e-01  8.9004200000e-01 -9.5734100000e-01 -7.5630700000e-01 -1.9190000000e-03 -1.7116440000e+00 -1.6476500000e+00  9.6163100000e-01
-ENERGY -1.526526906434e+02
-FORCES  6.3060000000e-04  4.4120000000e-04 -4.6590000000e-03 -3.1103000000e-03  1.0924000000e-03  2.9107000000e-03  2.6470000000e-03 -2.2744000000e-03  2.9753000000e-03  1.3466000000e-03 -3.5453000000e-03 -2.8521000000e-03 -3.3412000000e-03  6.4720000000e-04  1.8767000000e-03  1.8272000000e-03  3.6388000000e-03 -2.5160000000e-04
-
-JOB 45
-COORDS  1.2813500000e-01  8.2515900000e-01 -1.5928180000e+00 -4.9847400000e-01  1.4933870000e+00 -1.3152110000e+00 -3.6936900000e-01  7.5930000000e-03 -1.5752930000e+00 -6.7975000000e-02 -8.8178700000e-01  1.5704530000e+00  6.4727800000e-01 -3.0650000000e-01  1.2989950000e+00 -7.2061400000e-01 -2.9175700000e-01  1.9474920000e+00
-ENERGY -1.526565619005e+02
-FORCES -5.4685000000e-03 -1.7114000000e-03  2.6950000000e-04  2.8681000000e-03 -2.5537000000e-03 -4.3940000000e-04  2.2397000000e-03  4.4071000000e-03 -1.0044000000e-03  1.6791000000e-03  5.3069000000e-03  5.0320000000e-04 -3.4850000000e-03 -3.1062000000e-03  2.6563000000e-03  2.1666000000e-03 -2.3428000000e-03 -1.9852000000e-03
-
-JOB 46
-COORDS -1.6271090000e+00 -4.1026900000e-01 -6.4924500000e-01 -1.2137160000e+00 -9.9642100000e-01 -1.2830930000e+00 -1.4035720000e+00  4.6907900000e-01 -9.5421800000e-01  1.6410430000e+00  4.5760800000e-01  6.9146900000e-01  1.8773350000e+00 -4.4085700000e-01  9.2203300000e-01  7.0221800000e-01  4.1948600000e-01  5.0874500000e-01
-ENERGY -1.526568584816e+02
-FORCES -4.2880000000e-04  4.5450000000e-04 -6.4507000000e-03 -1.4708000000e-03  2.7208000000e-03  3.5475000000e-03  5.9910000000e-04 -4.3599000000e-03  3.1776000000e-03 -4.2203000000e-03 -4.8263000000e-03  1.3123000000e-03 -2.1580000000e-04  3.5004000000e-03 -1.1686000000e-03  5.7365000000e-03  2.5105000000e-03 -4.1800000000e-04
-
-JOB 47
-COORDS  1.5622390000e+00 -8.8732800000e-01 -1.9715000000e-02  1.9467050000e+00 -1.7618800000e+00 -7.9527000000e-02  7.3888200000e-01 -9.5354200000e-01 -5.0337900000e-01 -1.5769280000e+00  8.8459400000e-01  2.4096000000e-02 -7.6171200000e-01  1.2312220000e+00 -3.3853800000e-01 -1.7317820000e+00  1.4084120000e+00  8.1014000000e-01
-ENERGY -1.526562762398e+02
-FORCES -2.5382000000e-03 -4.8683000000e-03 -1.5559000000e-03 -1.5600000000e-03  3.4194000000e-03  2.7520000000e-04  5.1382000000e-03  1.3704000000e-03  8.4480000000e-04  2.7949000000e-03  4.6643000000e-03  3.3902000000e-03 -3.8835000000e-03 -2.8755000000e-03  5.2690000000e-04  4.8600000000e-05 -1.7104000000e-03 -3.4812000000e-03
-
-JOB 48
-COORDS -1.3850100000e-01  1.3633690000e+00 -1.2275620000e+00 -4.7997700000e-01  1.9515920000e+00 -1.9010750000e+00 -1.9477800000e-01  4.9176500000e-01 -1.6191880000e+00  1.3131500000e-01 -1.3854300000e+00  1.2447270000e+00  5.3206500000e-01 -1.6365860000e+00  2.0769240000e+00  2.7222100000e-01 -4.4047900000e-01  1.1860230000e+00
-ENERGY -1.526572721994e+02
-FORCES -2.1285000000e-03 -8.4040000000e-04 -5.3301000000e-03  1.4365000000e-03 -2.5475000000e-03  2.4012000000e-03  4.0300000000e-04  4.5362000000e-03  1.7416000000e-03  2.0945000000e-03  3.6442000000e-03  3.3916000000e-03 -1.5930000000e-03  1.0355000000e-03 -3.1402000000e-03 -2.1240000000e-04 -5.8280000000e-03  9.3600000000e-04
-
-JOB 49
-COORDS  9.7056000000e-01  1.8835700000e-01  1.6409860000e+00  3.1595700000e-01  9.4772000000e-02  9.4891000000e-01  1.5847640000e+00 -5.2991300000e-01  1.4890870000e+00 -1.0019460000e+00 -1.0828000000e-01 -1.5469370000e+00 -1.3794080000e+00 -7.8104400000e-01 -2.1136310000e+00 -8.4031000000e-02 -5.7288000000e-02 -1.8135130000e+00
-ENERGY -1.526567043454e+02
-FORCES -1.9627000000e-03 -3.3658000000e-03 -3.2956000000e-03  5.5351000000e-03  7.2030000000e-04  4.0219000000e-03 -2.1012000000e-03  2.9205000000e-03  1.8930000000e-04  4.6910000000e-04 -2.4483000000e-03 -5.9713000000e-03  1.9664000000e-03  3.0526000000e-03  2.1798000000e-03 -3.9067000000e-03 -8.7940000000e-04  2.8759000000e-03
-
-JOB 50
-COORDS -4.4749400000e-01 -1.6712820000e+00  7.2734000000e-01 -2.5265800000e-01 -2.1558590000e+00  1.5294970000e+00  8.1846000000e-02 -8.7643700000e-01  7.9255600000e-01  4.1709500000e-01  1.7016300000e+00 -8.1638700000e-01 -4.1240500000e-01  1.4421430000e+00 -4.1535200000e-01  1.0694040000e+00  1.1321580000e+00 -4.0843300000e-01
-ENERGY -1.526527084282e+02
-FORCES  2.9878000000e-03 -1.9330000000e-04  4.2458000000e-03 -7.9890000000e-04  2.2058000000e-03 -3.7065000000e-03 -2.1768000000e-03 -1.6378000000e-03 -1.1009000000e-03 -1.2566000000e-03 -2.7263000000e-03  1.6920000000e-03  5.0145000000e-03  8.8510000000e-04 -8.5440000000e-04 -3.7701000000e-03  1.4664000000e-03 -2.7610000000e-04
-
-JOB 51
-COORDS  1.2659000000e-01  1.1322180000e+00  1.4973970000e+00  4.1919000000e-02  6.0651700000e-01  2.2928220000e+00  1.0182890000e+00  9.6433800000e-01  1.1925680000e+00 -1.4628100000e-01 -1.1103550000e+00 -1.5781140000e+00 -1.0418190000e+00 -1.2758110000e+00 -1.2833820000e+00  2.3078800000e-01 -5.5188600000e-01 -8.9828700000e-01
-ENERGY -1.526557772348e+02
-FORCES  3.7341000000e-03 -9.3890000000e-04  4.6968000000e-03  2.9290000000e-04  2.1961000000e-03 -3.9122000000e-03 -5.0062000000e-03 -6.2520000000e-04 -2.7340000000e-04 -3.4258000000e-03  2.9872000000e-03  4.7680000000e-03  3.4420000000e-03 -3.0900000000e-04 -1.7127000000e-03  9.6300000000e-04 -3.3102000000e-03 -3.5665000000e-03
-
-JOB 52
-COORDS  1.6160980000e+00  7.9164300000e-01 -4.9040700000e-01  1.4894000000e+00 -1.4857000000e-01 -6.1760700000e-01  2.4656030000e+00  9.7572300000e-01 -8.9126600000e-01 -1.6262340000e+00 -7.4031200000e-01  4.7306700000e-01 -1.2999630000e+00 -9.2206100000e-01  1.3543990000e+00 -2.5764680000e+00 -6.8689800000e-01  5.7521400000e-01
-ENERGY -1.526545154851e+02
-FORCES  1.6385000000e-03 -3.6285000000e-03 -2.6352000000e-03  2.3840000000e-03  3.9257000000e-03  8.8080000000e-04 -3.5499000000e-03 -6.2780000000e-04  1.6512000000e-03 -3.0392000000e-03  7.4800000000e-04  4.2649000000e-03 -1.2534000000e-03 -2.5000000000e-05 -3.8858000000e-03  3.8200000000e-03 -3.9230000000e-04 -2.7580000000e-04
-
-JOB 53
-COORDS  8.1929000000e-02  1.3147440000e+00  1.2613640000e+00 -5.5836000000e-02  9.1396700000e-01  2.1196370000e+00  3.3527500000e-01  2.2171090000e+00  1.4557470000e+00 -4.8904000000e-02 -1.3932990000e+00 -1.2990210000e+00 -4.0272000000e-01 -6.0269500000e-01 -8.9160300000e-01 -3.8061200000e-01 -1.3697600000e+00 -2.1965990000e+00
-ENERGY -1.526571061619e+02
-FORCES  1.5284000000e-03  2.6589000000e-03  5.2283000000e-03  3.2360000000e-04  2.0700000000e-03 -3.6329000000e-03 -1.1825000000e-03 -3.7370000000e-03 -4.2800000000e-04 -2.2562000000e-03  4.6526000000e-03 -8.1050000000e-04  3.1150000000e-04 -5.5637000000e-03 -3.6852000000e-03  1.2752000000e-03 -8.0900000000e-05  3.3283000000e-03
-
-JOB 54
-COORDS -9.6954500000e-01  4.4871500000e-01 -1.6485330000e+00 -7.5605200000e-01 -4.7329400000e-01 -1.5051740000e+00 -1.4013300000e-01  9.0954600000e-01 -1.5222710000e+00  8.8387500000e-01 -4.6305100000e-01  1.5869430000e+00  1.1094890000e+00 -6.7796200000e-01  2.4920090000e+00  1.1556280000e+00  4.4873100000e-01  1.4818950000e+00
-ENERGY -1.526550310313e+02
-FORCES  4.4686000000e-03 -3.0998000000e-03  2.3579000000e-03 -1.3773000000e-03  3.9061000000e-03 -2.1566000000e-03 -3.1097000000e-03 -8.3940000000e-04 -5.3180000000e-04  1.5940000000e-03  2.8973000000e-03  4.5268000000e-03 -8.7990000000e-04  1.0054000000e-03 -3.7830000000e-03 -6.9580000000e-04 -3.8697000000e-03 -4.1320000000e-04
-
-JOB 55
-COORDS  7.6148800000e-01  1.7881290000e+00 -1.0285500000e-01 -2.6458000000e-02  2.3310540000e+00 -7.8227000000e-02  6.1425500000e-01  1.1843660000e+00 -8.3088300000e-01 -6.6484300000e-01 -1.8281820000e+00  1.1246000000e-01 -1.2180470000e+00 -1.1359290000e+00 -2.4945400000e-01 -8.4782200000e-01 -1.8150910000e+00  1.0519170000e+00
-ENERGY -1.526539975965e+02
-FORCES -2.4882000000e-03 -5.6650000000e-04 -3.2337000000e-03  2.8279000000e-03 -2.8824000000e-03  9.0400000000e-05 -4.6640000000e-04  3.4371000000e-03  2.9040000000e-03 -2.6536000000e-03  2.9970000000e-03  3.8620000000e-03  2.6031000000e-03 -2.3468000000e-03  4.3650000000e-04  1.7720000000e-04 -6.3840000000e-04 -4.0592000000e-03
-
-JOB 56
-COORDS -1.7682910000e+00 -4.6096300000e-01  9.9416800000e-01 -8.6335000000e-01 -3.4475000000e-01  7.0467100000e-01 -2.0159670000e+00 -1.3255180000e+00  6.6639500000e-01  1.7229340000e+00  4.4916500000e-01 -9.2314800000e-01  2.1575000000e+00  5.2873700000e-01 -1.7722960000e+00  1.4598120000e+00  1.3429030000e+00 -7.0352900000e-01
-ENERGY -1.526566246769e+02
-FORCES  3.6489000000e-03 -3.4579000000e-03 -3.0421000000e-03 -5.1656000000e-03  2.6550000000e-04  2.3410000000e-03  4.9910000000e-04  3.2565000000e-03  1.4381000000e-03  2.0305000000e-03  4.3887000000e-03 -3.7032000000e-03 -1.6498000000e-03 -7.0700000000e-05  3.6022000000e-03  6.3680000000e-04 -4.3821000000e-03 -6.3600000000e-04
-
-JOB 57
-COORDS -1.2054820000e+00  9.3902800000e-01  1.3147310000e+00 -2.0101500000e+00  1.3752690000e+00  1.0346690000e+00 -7.9267700000e-01  1.5595190000e+00  1.9154110000e+00  1.2727980000e+00 -1.0216790000e+00 -1.3120670000e+00  3.9864300000e-01 -1.3831350000e+00 -1.1656640000e+00  1.1384160000e+00 -3.1852000000e-01 -1.9474740000e+00
-ENERGY -1.526545713230e+02
-FORCES -8.9900000000e-04  4.6070000000e-03  2.1603000000e-03  3.4103000000e-03 -2.0391000000e-03  7.0500000000e-04 -2.1534000000e-03 -2.3543000000e-03 -2.4376000000e-03 -5.1113000000e-03  2.1587000000e-03 -5.1620000000e-04  3.8554000000e-03  4.9560000000e-04 -1.8001000000e-03  8.9800000000e-04 -2.8678000000e-03  1.8886000000e-03
-
-JOB 58
-COORDS -1.4618300000e-01  2.0572230000e+00  4.3670400000e-01  6.7982300000e-01  1.8262750000e+00  8.6168600000e-01  5.0815000000e-02  2.0333300000e+00 -4.9970000000e-01  1.4131900000e-01 -2.0145190000e+00 -4.4573000000e-01 -3.4380100000e-01 -1.6059240000e+00  2.7116700000e-01 -2.2121400000e-01 -2.8982320000e+00 -5.0781300000e-01
-ENERGY -1.526558921880e+02
-FORCES  4.7245000000e-03 -5.4820000000e-04 -2.8737000000e-03 -3.7640000000e-03  8.0340000000e-04 -1.3100000000e-03 -1.0120000000e-03  6.1880000000e-04  4.1241000000e-03 -4.0028000000e-03 -1.8830000000e-03  2.7484000000e-03  2.6154000000e-03 -2.5498000000e-03 -2.9816000000e-03  1.4389000000e-03  3.5588000000e-03  2.9270000000e-04
-
-JOB 59
-COORDS -2.8966200000e-01 -5.9945300000e-01  2.0892610000e+00  5.3130200000e-01 -1.0981400000e-01  2.0392280000e+00 -5.9582700000e-01 -4.6364300000e-01  2.9859500000e+00  2.5588000000e-01  5.9438900000e-01 -2.0923050000e+00  1.7075500000e-01  9.0186500000e-01 -2.9947700000e+00  3.8449900000e-01 -3.5078300000e-01 -2.1719210000e+00
-ENERGY -1.526543312566e+02
-FORCES  2.0219000000e-03  3.3403000000e-03  2.9216000000e-03 -3.1481000000e-03 -2.5646000000e-03  8.3830000000e-04  1.2241000000e-03 -6.2780000000e-04 -3.5485000000e-03 -4.5660000000e-04 -3.0637000000e-03 -3.7397000000e-03  3.7240000000e-04 -1.1892000000e-03  3.6637000000e-03 -1.3800000000e-05  4.1050000000e-03 -1.3540000000e-04
-
-JOB 60
-COORDS  1.2774600000e-01  4.6061900000e-01 -2.2750460000e+00  4.6776400000e-01  1.0468840000e+00 -1.5990920000e+00 -6.7773000000e-02 -3.5323400000e-01 -1.8106680000e+00 -1.6983900000e-01 -4.0957100000e-01  2.1694180000e+00  7.7427600000e-01 -4.8117500000e-01  2.3099620000e+00 -5.4816200000e-01 -1.0851610000e+00  2.7321640000e+00
-ENERGY -1.526554198411e+02
-FORCES -1.6970000000e-04 -8.6650000000e-04  5.6635000000e-03 -6.7430000000e-04 -2.0502000000e-03 -3.3297000000e-03  1.1688000000e-03  2.9044000000e-03 -2.8472000000e-03  1.8865000000e-03 -3.1334000000e-03  4.0999000000e-03 -3.9631000000e-03  3.7440000000e-04 -1.1774000000e-03  1.7517000000e-03  2.7713000000e-03 -2.4091000000e-03
-
-JOB 61
-COORDS  3.8149200000e-01 -1.4105850000e+00 -1.6649850000e+00 -6.5894000000e-02 -2.2540690000e+00 -1.7328970000e+00  1.2853860000e+00 -1.5972440000e+00 -1.9186910000e+00 -4.0949200000e-01  1.4885010000e+00  1.7519490000e+00  1.5431300000e-01  8.2406400000e-01  1.3558690000e+00 -9.3883200000e-01  1.8179990000e+00  1.0256820000e+00
-ENERGY -1.526559871653e+02
-FORCES  1.7504000000e-03 -4.8939000000e-03 -2.1006000000e-03  2.0037000000e-03  3.5414000000e-03  2.3560000000e-04 -3.7936000000e-03  8.4840000000e-04  1.2835000000e-03  1.5550000000e-04 -2.0420000000e-03 -5.4694000000e-03 -1.9170000000e-03  3.2602000000e-03  2.7636000000e-03  1.8010000000e-03 -7.1410000000e-04  3.2873000000e-03
-
-JOB 62
-COORDS  4.2165500000e-01 -2.3189730000e+00 -3.9322500000e-01  1.8776200000e-01 -1.4103450000e+00 -2.0369800000e-01 -2.3736600000e-01 -2.6099640000e+00 -1.0235000000e+00 -3.3022200000e-01  2.2276400000e+00  4.1475900000e-01 -3.4891100000e-01  2.9441530000e+00  1.0491820000e+00 -1.0295860000e+00  2.4369770000e+00 -2.0435300000e-01
-ENERGY -1.526553769018e+02
-FORCES -3.3361000000e-03  3.3270000000e-03 -1.3499000000e-03  6.8730000000e-04 -4.9986000000e-03 -1.3258000000e-03  2.5136000000e-03  1.0776000000e-03  2.3905000000e-03 -2.6096000000e-03  4.7980000000e-03  5.8380000000e-04 -1.1150000000e-04 -2.8300000000e-03 -2.8105000000e-03  2.8564000000e-03 -1.3740000000e-03  2.5118000000e-03
-
-JOB 63
-COORDS -5.0160700000e-01  6.7899400000e-01  2.3578040000e+00 -3.1087200000e-01 -6.6390000000e-02  1.7883700000e+00 -9.8802700000e-01  1.2875600000e+00  1.8016780000e+00  4.8335100000e-01 -6.1536500000e-01 -2.2723440000e+00  1.2284330000e+00 -6.2117900000e-01 -2.8732200000e+00  2.9885200000e-01 -1.5404570000e+00 -2.1098690000e+00
-ENERGY -1.526550406116e+02
-FORCES -8.8020000000e-04 -3.2240000000e-04 -5.4358000000e-03 -9.6590000000e-04  2.4867000000e-03  3.0184000000e-03  1.6536000000e-03 -2.2927000000e-03  2.7560000000e-03  2.7179000000e-03 -3.7344000000e-03 -2.6476000000e-03 -3.1762000000e-03 -1.1800000000e-04  2.4499000000e-03  6.5070000000e-04  3.9808000000e-03 -1.4090000000e-04
-
-JOB 64
-COORDS  1.8035720000e+00  1.1324450000e+00 -1.3182990000e+00  9.8950300000e-01  9.7979800000e-01 -8.3848400000e-01  1.5803150000e+00  9.5552400000e-01 -2.2321300000e+00 -1.7964450000e+00 -1.0703360000e+00  1.3265400000e+00 -1.2354770000e+00 -9.6882600000e-01  2.0954620000e+00 -1.5141800000e+00 -1.8948850000e+00  9.3071600000e-01
-ENERGY -1.526551609770e+02
-FORCES -4.7074000000e-03 -1.0434000000e-03 -1.7515000000e-03  4.0887000000e-03  5.7430000000e-04 -2.0749000000e-03  1.0594000000e-03  5.9910000000e-04  3.6127000000e-03  2.8467000000e-03 -3.6441000000e-03  2.3799000000e-03 -2.2412000000e-03 -2.2970000000e-04 -3.5284000000e-03 -1.0462000000e-03  3.7438000000e-03  1.3622000000e-03
-
-JOB 65
-COORDS -1.3931300000e-01  2.2244890000e+00  1.2246770000e+00 -7.1173200000e-01  2.2160400000e+00  4.5754100000e-01  2.1335400000e-01  1.3358190000e+00  1.2707590000e+00  1.9269200000e-01 -2.1812670000e+00 -1.2306590000e+00  3.1768100000e-01 -2.0243690000e+00 -2.9471500000e-01 -7.5696400000e-01 -2.2267130000e+00 -1.3416580000e+00
-ENERGY -1.526536827160e+02
-FORCES -5.1300000000e-04 -3.2579000000e-03 -3.4286000000e-03  2.1237000000e-03 -9.1500000000e-05  3.4603000000e-03 -1.7380000000e-03  3.1532000000e-03  1.2730000000e-04 -3.3474000000e-03 -6.9860000000e-04  3.0603000000e-03 -5.9410000000e-04  2.8590000000e-04 -3.8135000000e-03  4.0688000000e-03  6.0890000000e-04  5.9420000000e-04
-
-JOB 66
-COORDS  1.7131540000e+00 -1.8085430000e+00 -3.8855500000e-01  1.0506620000e+00 -1.2530440000e+00 -7.9935700000e-01  2.5377250000e+00 -1.3435710000e+00 -5.3038700000e-01 -1.7148500000e+00  1.7668630000e+00  3.5207300000e-01 -1.3196050000e+00  2.2208810000e+00  1.0963050000e+00 -2.2198420000e+00  1.0553210000e+00  7.4567700000e-01
-ENERGY -1.526551658517e+02
-FORCES  4.6310000000e-04  4.5136000000e-03 -2.5126000000e-03  2.9598000000e-03 -2.8759000000e-03  1.7522000000e-03 -3.1625000000e-03 -1.9666000000e-03  6.6990000000e-04 -9.2470000000e-04 -7.3960000000e-04  5.1321000000e-03 -1.5567000000e-03 -1.8454000000e-03 -3.1902000000e-03  2.2209000000e-03  2.9138000000e-03 -1.8514000000e-03
-
-JOB 67
-COORDS  8.0240500000e-01 -1.5392880000e+00  1.8053200000e+00  1.0747700000e+00 -2.2884810000e+00  1.2754520000e+00 -1.3410500000e-01 -1.6750270000e+00  1.9493890000e+00 -8.1092000000e-01  1.5802580000e+00 -1.7340070000e+00 -3.0453700000e-01  2.3775700000e+00 -1.8892560000e+00 -5.0433700000e-01  9.6731500000e-01 -2.4022430000e+00
-ENERGY -1.526539210493e+02
-FORCES -3.2025000000e-03 -3.0844000000e-03 -1.7863000000e-03 -9.4620000000e-04  2.9669000000e-03  2.0678000000e-03  3.9784000000e-03  1.1170000000e-04 -3.0970000000e-04  3.8465000000e-03  7.9820000000e-04 -2.9131000000e-03 -2.2224000000e-03 -3.1618000000e-03  3.9230000000e-04 -1.4539000000e-03  2.3693000000e-03  2.5491000000e-03
-
-JOB 68
-COORDS -9.9197800000e-01 -1.4628870000e+00 -1.8706640000e+00 -8.9844900000e-01 -1.0777700000e+00 -2.7419670000e+00 -4.7369600000e-01 -8.9506600000e-01 -1.3004060000e+00  9.4762000000e-01  1.4208910000e+00  1.8185880000e+00  1.7615820000e+00  1.3790520000e+00  2.3205330000e+00  2.6088700000e-01  1.2354850000e+00  2.4590990000e+00
-ENERGY -1.526554161500e+02
-FORCES  2.7773000000e-03  4.2769000000e-03 -8.8300000000e-04 -4.4780000000e-04 -1.6587000000e-03  3.3107000000e-03 -2.5280000000e-03 -2.9107000000e-03 -2.8181000000e-03  6.8190000000e-04 -5.9020000000e-04  5.2524000000e-03 -3.3946000000e-03  1.7950000000e-04 -2.0679000000e-03  2.9112000000e-03  7.0320000000e-04 -2.7940000000e-03
-
-JOB 69
-COORDS  1.6113620000e+00 -3.2012700000e-01 -1.9794770000e+00  1.6545540000e+00 -1.2736090000e+00 -1.9070960000e+00  2.3101120000e+00 -4.0700000000e-03 -1.4066870000e+00 -1.6397080000e+00  3.8318100000e-01  1.9905940000e+00 -1.3005200000e+00  5.7734900000e-01  1.1168200000e+00 -2.2297370000e+00 -3.5905700000e-01  1.8595140000e+00
-ENERGY -1.526550328954e+02
-FORCES  3.8096000000e-03 -2.7169000000e-03  2.2163000000e-03 -4.4250000000e-04  3.9886000000e-03 -2.0200000000e-04 -3.1460000000e-03 -1.2999000000e-03 -2.3403000000e-03 -1.0747000000e-03 -2.0254000000e-03 -4.5283000000e-03 -1.5258000000e-03 -8.0820000000e-04  4.1733000000e-03  2.3794000000e-03  2.8618000000e-03  6.8110000000e-04
-
-JOB 70
-COORDS -9.3612700000e-01  8.0152000000e-02  2.4586410000e+00 -2.7949500000e-01  6.5168700000e-01  2.8566530000e+00 -6.1101900000e-01 -7.8091000000e-02  1.5723590000e+00  8.8487100000e-01 -6.0999000000e-02 -2.3784390000e+00  1.3290380000e+00 -7.1718000000e-02 -3.2262790000e+00  3.0828900000e-01 -8.2475600000e-01 -2.3999000000e+00
-ENERGY -1.526549809911e+02
-FORCES  4.3045000000e-03  2.0466000000e-03 -2.3772000000e-03 -2.7211000000e-03 -2.3315000000e-03 -1.2882000000e-03 -1.7617000000e-03  1.3480000000e-04  3.9293000000e-03 -3.3350000000e-04 -3.0424000000e-03 -4.3096000000e-03 -1.8673000000e-03 -4.3300000000e-05  3.4581000000e-03  2.3791000000e-03  3.2358000000e-03  5.8760000000e-04
-
-JOB 71
-COORDS -1.2707290000e+00 -8.0757000000e-02  2.2209560000e+00 -1.7396200000e+00 -8.8670100000e-01  2.4373540000e+00 -1.4873170000e+00  5.2140900000e-01  2.9327970000e+00  1.3126320000e+00  3.2964000000e-02 -2.2410270000e+00  1.0814070000e+00  2.4320900000e-01 -3.1457720000e+00  1.4179460000e+00  8.8424500000e-01 -1.8162200000e+00
-ENERGY -1.526538620461e+02
-FORCES -2.7621000000e-03 -1.3295000000e-03  3.6077000000e-03  1.7874000000e-03  3.4277000000e-03 -6.6950000000e-04  9.5230000000e-04 -2.3118000000e-03 -3.0011000000e-03 -9.1990000000e-04  4.4316000000e-03 -1.2505000000e-03  9.7640000000e-04 -9.2180000000e-04  3.5583000000e-03 -3.4100000000e-05 -3.2963000000e-03 -2.2450000000e-03
-
-JOB 72
-COORDS -1.1864350000e+00  7.6133500000e-01 -2.2676950000e+00 -2.7357700000e-01  5.9541600000e-01 -2.0323370000e+00 -1.4423450000e+00 -2.3700000000e-04 -2.7880310000e+00  1.1192670000e+00 -6.9312700000e-01  2.2330710000e+00  1.2232150000e+00 -1.6124200000e+00  2.4786880000e+00  1.6790300000e+00 -2.1623400000e-01  2.8458260000e+00
-ENERGY -1.526543434339e+02
-FORCES  2.8981000000e-03 -3.9344000000e-03 -3.2580000000e-04 -3.7485000000e-03  8.4500000000e-04 -1.7592000000e-03  9.4440000000e-04  3.0611000000e-03  1.8984000000e-03  2.4512000000e-03 -1.6794000000e-03  3.9349000000e-03 -3.4110000000e-04  3.7444000000e-03 -1.1588000000e-03 -2.2040000000e-03 -2.0368000000e-03 -2.5894000000e-03
-
-JOB 73
-COORDS  1.9872140000e+00  1.4106580000e+00 -1.3737900000e+00  1.6583600000e+00  2.3091940000e+00 -1.3469630000e+00  2.4128080000e+00  1.2854420000e+00 -5.2560200000e-01 -1.9594190000e+00 -1.4538560000e+00  1.3768090000e+00 -2.6415210000e+00 -2.0765970000e+00  1.1254860000e+00 -1.9705780000e+00 -7.9323900000e-01  6.8421200000e-01
-ENERGY -1.526545084309e+02
-FORCES  8.4910000000e-04  3.0891000000e-03  3.7020000000e-03  1.1142000000e-03 -3.7440000000e-03 -1.4260000000e-04 -1.7903000000e-03  6.7370000000e-04 -3.6108000000e-03 -2.6212000000e-03  4.0000000000e-05 -4.1990000000e-03  2.6839000000e-03  2.5321000000e-03  1.0962000000e-03 -2.3570000000e-04 -2.5909000000e-03  3.1542000000e-03
-
-JOB 74
-COORDS  4.4038400000e-01 -2.7045750000e+00  5.8679000000e-01  7.5641300000e-01 -3.2583340000e+00 -1.2715000000e-01  1.1396370000e+00 -2.0650550000e+00  7.2203900000e-01 -5.5140500000e-01  2.6897610000e+00 -6.0544300000e-01  3.1057900000e-01  2.2736600000e+00 -5.9686500000e-01 -5.4551400000e-01  3.2697310000e+00  1.5602500000e-01
-ENERGY -1.526535728317e+02
-FORCES  3.9041000000e-03  2.0670000000e-04 -2.4909000000e-03 -1.2069000000e-03  2.3075000000e-03  2.9923000000e-03 -2.7545000000e-03 -2.3684000000e-03 -5.4990000000e-04  3.2486000000e-03  5.4840000000e-04  3.2607000000e-03 -3.2733000000e-03  1.6495000000e-03 -4.5500000000e-05  8.2100000000e-05 -2.3437000000e-03 -3.1667000000e-03
-
-JOB 75
-COORDS  8.4446500000e-01  1.3538800000e-01 -2.8320650000e+00  4.0802000000e-02  3.4886700000e-01 -3.3061780000e+00  7.1453900000e-01  5.0748000000e-01 -1.9597700000e+00 -7.3237900000e-01 -1.7851100000e-01  2.7832160000e+00 -1.3800430000e+00  4.7572500000e-01  2.5210350000e+00 -1.1343280000e+00 -6.3015900000e-01  3.5252960000e+00
-ENERGY -1.526541657013e+02
-FORCES -3.6687000000e-03  2.1415000000e-03  2.0200000000e-03  3.2025000000e-03 -8.0330000000e-04  1.8732000000e-03  3.9430000000e-04 -1.2147000000e-03 -3.9513000000e-03 -4.2876000000e-03  5.2960000000e-04  2.4038000000e-03  2.7681000000e-03 -2.6016000000e-03  7.1010000000e-04  1.5915000000e-03  1.9486000000e-03 -3.0557000000e-03
-
-JOB 76
-COORDS  2.2141980000e+00  1.7066870000e+00 -1.0934990000e+00  2.0549600000e+00  2.6477280000e+00 -1.0205930000e+00  2.5046140000e+00  1.4440520000e+00 -2.2005000000e-01 -2.2678130000e+00 -1.7645030000e+00  1.0029610000e+00 -1.6670200000e+00 -1.0371020000e+00  8.4119700000e-01 -2.0174240000e+00 -2.0952770000e+00  1.8655890000e+00
-ENERGY -1.526540608351e+02
-FORCES  9.7990000000e-04  3.0487000000e-03  3.5196000000e-03  5.7140000000e-04 -3.9809000000e-03 -1.8340000000e-04 -1.5531000000e-03  9.2190000000e-04 -3.4598000000e-03  3.5539000000e-03  1.6134000000e-03  2.5014000000e-03 -2.5629000000e-03 -2.9993000000e-03  1.0705000000e-03 -9.8920000000e-04  1.3964000000e-03 -3.4483000000e-03
-
-JOB 77
-COORDS -1.2547470000e+00  7.3036600000e-01  2.8388880000e+00 -1.9355420000e+00  9.8748900000e-01  3.4606910000e+00 -4.7154900000e-01  6.1135700000e-01  3.3761680000e+00  1.2834220000e+00 -7.2411000000e-01 -2.9548670000e+00  1.5195850000e+00 -6.6148600000e-01 -2.0293750000e+00  3.8365900000e-01 -1.0506780000e+00 -2.9513820000e+00
-ENERGY -1.526544965550e+02
-FORCES  2.4460000000e-04  7.6370000000e-04  4.9225000000e-03  2.8165000000e-03 -1.0916000000e-03 -2.5245000000e-03 -3.1363000000e-03  3.9060000000e-04 -2.3354000000e-03 -2.9732000000e-03 -8.7750000000e-04  4.0272000000e-03 -6.6800000000e-04 -3.7350000000e-04 -3.8608000000e-03  3.7165000000e-03  1.1883000000e-03 -2.2910000000e-04
-
-JOB 78
-COORDS  2.9369850000e+00  1.7364640000e+00  1.2731060000e+00  3.5375340000e+00  2.4504350000e+00  1.0590530000e+00  2.1619990000e+00  2.1727210000e+00  1.6270970000e+00 -2.9171620000e+00 -1.7574700000e+00 -1.3314000000e+00 -2.7950060000e+00 -1.6698870000e+00 -3.8607500000e-01 -3.2223360000e+00 -2.6567130000e+00 -1.4516540000e+00
-ENERGY -1.526540443950e+02
-FORCES -7.3420000000e-04  4.7377000000e-03  3.7140000000e-04 -2.4217000000e-03 -2.9090000000e-03  9.3510000000e-04  3.1495000000e-03 -1.8292000000e-03 -1.3256000000e-03 -5.1850000000e-04 -3.3805000000e-03  3.3661000000e-03 -6.4750000000e-04 -2.9220000000e-04 -3.8269000000e-03  1.1724000000e-03  3.6731000000e-03  4.7990000000e-04
-
-JOB 79
-COORDS  3.5337110000e+00 -1.9813490000e+00 -6.1658200000e-01  3.8797330000e+00 -1.2181230000e+00 -1.0791690000e+00  3.0216510000e+00 -1.6136200000e+00  1.0369800000e-01 -3.4780990000e+00  1.9720180000e+00  5.7417600000e-01 -3.3109520000e+00  1.0576620000e+00  8.0275000000e-01 -4.3940040000e+00  2.1153950000e+00  8.1249000000e-01
-ENERGY -1.526541872946e+02
-FORCES -6.5460000000e-04  4.7185000000e-03  9.9890000000e-04 -1.3785000000e-03 -3.1577000000e-03  1.8956000000e-03  2.0424000000e-03 -1.5850000000e-03 -2.8941000000e-03 -3.2085000000e-03 -3.1397000000e-03  1.8537000000e-03 -5.6060000000e-04  3.7512000000e-03 -8.9810000000e-04  3.7598000000e-03 -5.8730000000e-04 -9.5590000000e-04
-
-JOB 80
-COORDS -1.5111820000e+00 -3.6517200000e+00 -1.6525880000e+00 -2.3081920000e+00 -3.1917460000e+00 -1.3890900000e+00 -1.7007180000e+00 -3.9749720000e+00 -2.5333930000e+00  1.5026600000e+00  3.6367170000e+00  1.6847040000e+00  2.0771200000e+00  3.9406840000e+00  2.3874340000e+00  2.0921790000e+00  3.4639010000e+00  9.5065100000e-01
-ENERGY -1.526541139072e+02
-FORCES -4.0605000000e-03  6.5020000000e-04 -2.4373000000e-03  3.2376000000e-03 -1.9507000000e-03 -1.1288000000e-03  8.0020000000e-04  1.2992000000e-03  3.5691000000e-03  4.7799000000e-03  3.9600000000e-04 -1.3920000000e-04 -2.3516000000e-03 -1.1939000000e-03 -2.8556000000e-03 -2.4055000000e-03  7.9920000000e-04  2.9918000000e-03
-
-JOB 81
-COORDS  1.4681900000e-01  2.5426580000e+00  3.6514930000e+00 -4.6378500000e-01  2.7246770000e+00  2.9371650000e+00  8.5034900000e-01  3.1810630000e+00  3.5343760000e+00 -1.2118500000e-01 -2.5868480000e+00 -3.5352020000e+00 -9.0483300000e-01 -2.1410050000e+00 -3.8566860000e+00  1.9562900000e-01 -3.0873870000e+00 -4.2870810000e+00
-ENERGY -1.526540139018e+02
-FORCES  4.3680000000e-04  3.2130000000e-03 -3.5003000000e-03  2.4407000000e-03 -6.5740000000e-04  2.9602000000e-03 -2.8841000000e-03 -2.5493000000e-03  5.1990000000e-04 -1.9034000000e-03 -3.1480000000e-04 -4.3552000000e-03  3.2049000000e-03 -1.7617000000e-03  1.3168000000e-03 -1.2949000000e-03  2.0702000000e-03  3.0586000000e-03
-
-JOB 82
-COORDS  1.4304980000e+00 -3.3442110000e+00  2.9329800000e+00  1.2650240000e+00 -3.6592970000e+00  2.0444010000e+00  7.5783200000e-01 -2.6795150000e+00  3.0810680000e+00 -1.3865140000e+00  3.2667500000e+00 -2.8683940000e+00 -2.1064910000e+00  3.7447040000e+00 -3.2800070000e+00 -6.3588200000e-01  3.8565650000e+00 -2.9384060000e+00
-ENERGY -1.526542574177e+02
-FORCES -3.4566000000e-03  1.5116000000e-03 -3.1068000000e-03  7.0590000000e-04  1.2114000000e-03  3.6510000000e-03  2.7547000000e-03 -2.7475000000e-03 -5.2410000000e-04  1.3420000000e-04  4.4157000000e-03 -2.0119000000e-03  2.9322000000e-03 -1.9653000000e-03  1.6920000000e-03 -3.0703000000e-03 -2.4260000000e-03  2.9980000000e-04
-
-JOB 83
-COORDS -7.3425100000e-01 -4.4771840000e+00 -7.6588800000e-01 -1.0281490000e+00 -5.3078600000e+00 -3.9194500000e-01  1.2361900000e-01 -4.6736220000e+00 -1.1423230000e+00  7.2706500000e-01  4.5598540000e+00  7.0847200000e-01  7.6575700000e-01  4.9376340000e+00  1.5871170000e+00  2.2563600000e-01  3.7517000000e+00  8.1658100000e-01
-ENERGY -1.526541878128e+02
-FORCES  2.3118000000e-03 -4.2304000000e-03 -8.7900000000e-05  1.1959000000e-03  3.4045000000e-03 -1.4980000000e-03 -3.5078000000e-03  8.0490000000e-04  1.5715000000e-03 -1.9418000000e-03 -1.8530000000e-03  3.9859000000e-03 -1.3410000000e-04 -1.5031000000e-03 -3.5662000000e-03  2.0762000000e-03  3.3771000000e-03 -4.0530000000e-04
-
-JOB 84
-COORDS -3.9183210000e+00 -3.1485280000e+00 -1.3324550000e+00 -3.9443060000e+00 -2.2459730000e+00 -1.6501820000e+00 -3.3023230000e+00 -3.5909050000e+00 -1.9164760000e+00  3.9094540000e+00  3.1741500000e+00  1.3634320000e+00  3.5565600000e+00  2.4608780000e+00  8.3151100000e-01  3.8285390000e+00  2.8637010000e+00  2.2652670000e+00
-ENERGY -1.526540779445e+02
-FORCES  2.3083000000e-03  1.8484000000e-03 -3.7396000000e-03  1.6150000000e-04 -3.6806000000e-03  1.3302000000e-03 -2.4709000000e-03  1.8275000000e-03  2.4182000000e-03 -1.7538000000e-03 -4.1764000000e-03  1.5698000000e-03  1.4233000000e-03  2.9121000000e-03  2.1232000000e-03  3.3160000000e-04  1.2690000000e-03 -3.7018000000e-03
-
-JOB 85
-COORDS  2.2431060000e+00 -3.5262160000e+00 -3.0757140000e+00  2.2735380000e+00 -3.1173460000e+00 -3.9406600000e+00  3.0653590000e+00 -3.2680860000e+00 -2.6591790000e+00 -2.2455760000e+00  3.5353610000e+00  3.1070220000e+00 -3.0772590000e+00  3.6220700000e+00  2.6411710000e+00 -2.2348500000e+00  2.6281520000e+00  3.4121250000e+00
-ENERGY -1.526541529626e+02
-FORCES  3.5110000000e-03  2.7414000000e-03 -1.8372000000e-03 -1.3980000000e-04 -1.6780000000e-03  3.5243000000e-03 -3.3637000000e-03 -1.0694000000e-03 -1.6948000000e-03 -3.3551000000e-03 -3.3964000000e-03 -6.7320000000e-04  3.3877000000e-03 -3.2430000000e-04  1.9028000000e-03 -4.0100000000e-05  3.7268000000e-03 -1.2220000000e-03
-
-JOB 86
-COORDS  3.6008210000e+00  4.0288320000e+00  2.7202800000e-01  4.1689110000e+00  4.6993340000e+00 -1.0735800000e-01  4.0401280000e+00  3.2018330000e+00  7.3752000000e-02 -3.7019220000e+00 -3.9772480000e+00 -2.4905000000e-01 -3.7573850000e+00 -4.5970040000e+00  4.7831300000e-01 -2.8864390000e+00 -4.2041100000e+00 -6.9598800000e-01
-ENERGY -1.526540087534e+02
-FORCES  4.0764000000e-03 -6.2050000000e-04 -2.3691000000e-03 -2.3071000000e-03 -2.7441000000e-03  1.5530000000e-03 -1.7782000000e-03  3.3585000000e-03  8.1500000000e-04  3.1065000000e-03 -3.4023000000e-03  1.1719000000e-03  2.2550000000e-04  2.5086000000e-03 -2.9800000000e-03 -3.3232000000e-03  8.9970000000e-04  1.8092000000e-03
-
-JOB 87
-COORDS -3.3206860000e+00  4.0687080000e+00 -3.9478120000e+00 -2.7038980000e+00  4.7644920000e+00 -4.1751640000e+00 -3.2912560000e+00  3.4689060000e+00 -4.6932000000e+00  3.2781760000e+00 -4.0925900000e+00  3.9418760000e+00  3.6784790000e+00 -3.2970220000e+00  4.2926780000e+00  2.9505050000e+00 -4.5562660000e+00  4.7125040000e+00
-ENERGY -1.526540777100e+02
-FORCES  2.6538000000e-03  3.5440000000e-04 -3.9637000000e-03 -2.5219000000e-03 -2.8216000000e-03  9.2920000000e-04 -1.3070000000e-04  2.4656000000e-03  3.0319000000e-03  2.6120000000e-04  1.3739000000e-03  4.5751000000e-03 -1.6129000000e-03 -3.2535000000e-03 -1.4309000000e-03  1.3505000000e-03  1.8812000000e-03 -3.1416000000e-03
-
-JOB 88
-COORDS -1.0266120000e+00 -1.6891580000e+00 -7.7645660000e+00 -1.6560400000e+00 -2.3907940000e+00 -7.9311800000e+00 -8.4497100000e-01 -1.7474480000e+00 -6.8265670000e+00  1.0079630000e+00  1.7822480000e+00  7.6826100000e+00  1.0309340000e+00  8.3589900000e-01  7.5407420000e+00  1.6679020000e+00  1.9397860000e+00  8.3578100000e+00
-ENERGY -1.526540717910e+02
-FORCES -1.8348000000e-03 -3.0819000000e-03  3.1554000000e-03  2.5713000000e-03  2.8552000000e-03  6.7640000000e-04 -7.3610000000e-04  2.2510000000e-04 -3.8312000000e-03  2.7934000000e-03 -3.2034000000e-03  2.1891000000e-03 -9.9200000000e-05  3.8545000000e-03  5.6790000000e-04 -2.6945000000e-03 -6.4950000000e-04 -2.7577000000e-03
-
-JOB 89
-COORDS  9.1992940000e+00  1.1484700000e-01  5.0740320000e+00  9.7030850000e+00 -3.9801600000e-01  4.4420530000e+00  8.3299120000e+00 -2.8563500000e-01  5.0694770000e+00 -9.2074230000e+00 -1.5188000000e-02 -5.0081340000e+00 -8.6973680000e+00 -7.4556800000e-01 -4.6579620000e+00 -9.2300850000e+00 -1.6929800000e-01 -5.9525740000e+00
-ENERGY -1.526540655612e+02
-FORCES -1.4922000000e-03 -3.7211000000e-03 -2.5933000000e-03 -2.0559000000e-03  2.0903000000e-03  2.5767000000e-03  3.5476000000e-03  1.6306000000e-03  1.6100000000e-05  1.9810000000e-03 -3.6044000000e-03 -2.4271000000e-03 -2.0765000000e-03  2.9783000000e-03 -1.4269000000e-03  9.6000000000e-05  6.2640000000e-04  3.8545000000e-03
-
-JOB 0
-COORDS -3.9983800000e-01  1.2039260000e+00 -1.6005300000e-01 -2.0214500000e-01  2.8712600000e-01  3.1330000000e-02 -6.7229000000e-02  1.6844610000e+00  5.9803000000e-01  4.2252200000e-01 -1.1223420000e+00  1.2652100000e-01 -5.0045000000e-02 -1.6997660000e+00  7.2609900000e-01  1.4974600000e-01 -1.4069790000e+00 -7.4572100000e-01
-ENERGY -1.526531255853e+02
-FORCES  1.1907700000e-02 -2.7281000000e-02  6.1902000000e-03 -5.2096000000e-03  4.0529000000e-03 -4.9866000000e-03 -6.4910000000e-04 -2.8750000000e-03 -7.8860000000e-04 -7.0692000000e-03  1.6781100000e-02 -3.4144000000e-03  1.7010000000e-03  5.1174000000e-03 -4.0043000000e-03 -6.8080000000e-04  4.2048000000e-03  7.0038000000e-03
-
-JOB 1
-COORDS  4.2056000000e-02  1.1983630000e+00 -3.0109200000e-01  4.0866700000e-01  1.0764060000e+00  5.7466800000e-01 -8.2764000000e-02  2.1441510000e+00 -3.7943600000e-01 -1.5100000000e-02 -1.2822370000e+00  2.4372800000e-01 -7.8323900000e-01 -1.4060250000e+00  8.0128600000e-01 -4.0571000000e-02 -3.5636200000e-01  2.1940000000e-03
-ENERGY -1.526495783044e+02
-FORCES -1.6449000000e-03 -1.3222500000e-02  1.8538000000e-03 -6.5035000000e-03 -7.3273000000e-03 -7.8897000000e-03  1.9848000000e-03 -4.6743000000e-03  2.9274000000e-03 -4.6853000000e-03  1.4877100000e-02 -7.5184000000e-03  2.7331000000e-03  2.2021000000e-03 -1.0437000000e-03  8.1158000000e-03  8.1449000000e-03  1.1670600000e-02
-
-JOB 2
-COORDS  1.0853050000e+00  6.9782600000e-01 -3.2808300000e-01  2.9883700000e-01  1.0022000000e+00  1.2474900000e-01  9.3341900000e-01 -2.3633900000e-01 -4.7125600000e-01 -1.0430440000e+00 -6.2005800000e-01  3.7247400000e-01 -1.1329570000e+00 -3.8477300000e-01 -5.5099200000e-01 -7.8630600000e-01 -1.5421170000e+00  3.6130400000e-01
-ENERGY -1.526488070417e+02
-FORCES -1.5214900000e-02 -1.0744400000e-02  1.0518100000e-02 -3.7380000000e-04  3.6300000000e-03 -4.3884000000e-03 -5.8730000000e-04 -2.2837000000e-03 -4.3908000000e-03  9.9948000000e-03  3.2481000000e-03 -5.0936000000e-03  4.7121000000e-03  5.6830000000e-04  5.1881000000e-03  1.4691000000e-03  5.5818000000e-03 -1.8335000000e-03
-
-JOB 3
-COORDS  2.6660500000e-01 -2.3224100000e-01  1.2984340000e+00  8.3616300000e-01 -9.0352700000e-01  9.2265500000e-01 -1.6730700000e-01  1.6460900000e-01  5.4314500000e-01 -2.9349000000e-01  2.6547100000e-01 -1.1785420000e+00 -6.5615100000e-01  5.2265100000e-01 -2.0262260000e+00  4.2938500000e-01 -3.2329000000e-01 -1.3954390000e+00
-ENERGY -1.526542126152e+02
-FORCES -4.6101000000e-03  2.7861000000e-03 -1.6810000000e-02 -8.7320000000e-04  1.9427000000e-03 -1.1305000000e-03  3.2912000000e-03 -2.2973000000e-03  3.4521000000e-03  2.4899000000e-03 -2.1107000000e-03  8.4087000000e-03  3.4104000000e-03 -2.5896000000e-03  3.5122000000e-03 -3.7082000000e-03  2.2688000000e-03  2.5676000000e-03
-
-JOB 4
-COORDS -5.3900000000e-04 -1.1716290000e+00 -4.5290800000e-01 -7.7267000000e-02 -1.0488440000e+00 -1.3990950000e+00 -7.9283000000e-01 -1.6496260000e+00 -2.0790800000e-01  8.7382000000e-02  1.1980280000e+00  5.6066400000e-01 -3.3087600000e-01  1.9005270000e+00  6.2882000000e-02 -9.3108000000e-02  4.0543400000e-01  5.5244000000e-02
-ENERGY -1.526558254089e+02
-FORCES -1.0934000000e-03  6.4970000000e-03  3.4199000000e-03 -1.1223000000e-03  2.7807000000e-03  7.0307000000e-03  4.1961000000e-03  4.2090000000e-03 -2.2193000000e-03 -5.1370000000e-04 -1.8984500000e-02 -7.4003000000e-03  7.7440000000e-04 -5.0815000000e-03 -7.7700000000e-04 -2.2411000000e-03  1.0579400000e-02 -5.4100000000e-05
-
-JOB 5
-COORDS  4.2093000000e-02 -8.2729300000e-01 -1.0321550000e+00 -2.6353900000e-01 -1.6879200000e-01 -4.0829800000e-01 -3.4787600000e-01 -5.6664000000e-01 -1.8665510000e+00 -2.8423000000e-02  8.1372900000e-01  9.8919000000e-01  8.6538000000e-01  4.9006000000e-01  1.1013810000e+00 -5.0262700000e-01  4.7755500000e-01  1.7496830000e+00
-ENERGY -1.526595701467e+02
-FORCES -2.8496000000e-03  1.2220300000e-02  1.2238500000e-02  2.5066000000e-03 -7.5925000000e-03 -7.0181000000e-03  2.6950000000e-04  1.1937000000e-03  4.0197000000e-03  3.7764000000e-03 -7.6249000000e-03 -3.7095000000e-03 -6.4582000000e-03  1.1673000000e-03 -7.2530000000e-04  2.7554000000e-03  6.3610000000e-04 -4.8052000000e-03
-
-JOB 6
-COORDS  7.6049200000e-01  3.3697300000e-01 -9.9242600000e-01  7.2959900000e-01 -3.7165600000e-01 -1.6351720000e+00  1.5087300000e+00  1.2302300000e-01 -4.3511300000e-01 -8.1950100000e-01 -2.4580700000e-01  1.0524330000e+00 -4.3824500000e-01 -1.0193000000e-02  2.0664200000e-01 -9.0565900000e-01 -1.1985630000e+00  1.0197830000e+00
-ENERGY -1.526578117317e+02
-FORCES -5.2600000000e-05 -4.0207000000e-03  6.3986000000e-03 -1.0019000000e-03  2.6097000000e-03  5.6559000000e-03 -5.5531000000e-03 -1.5620000000e-04 -3.3380000000e-03  8.9244000000e-03  3.1708000000e-03 -1.5848200000e-02 -4.0955000000e-03 -4.4408000000e-03  8.5093000000e-03  1.7786000000e-03  2.8372000000e-03 -1.3776000000e-03
-
-JOB 7
-COORDS  2.6496000000e-01  1.0815860000e+00  7.8097100000e-01  1.1653880000e+00  1.0969140000e+00  1.1053570000e+00  2.6692600000e-01  4.0981000000e-01  9.9102000000e-02 -3.3120200000e-01 -1.0265910000e+00 -7.0785400000e-01  3.3625800000e-01 -1.6970020000e+00 -8.5372300000e-01 -6.2486400000e-01 -7.8517100000e-01 -1.5863250000e+00
-ENERGY -1.526577267337e+02
-FORCES -2.6478000000e-03 -1.3867500000e-02 -8.5648000000e-03 -2.5621000000e-03 -2.1291000000e-03 -2.1140000000e-03  4.0681000000e-03  9.1224000000e-03  2.9900000000e-03  9.2300000000e-04  2.3898000000e-03  1.5121000000e-03 -2.8860000000e-03  5.0154000000e-03  7.1190000000e-04  3.1048000000e-03 -5.3100000000e-04  5.4648000000e-03
-
-JOB 8
-COORDS -8.8915400000e-01 -9.4432300000e-01 -4.6013100000e-01 -4.2043500000e-01 -2.3153400000e-01 -2.6002000000e-02 -1.4314190000e+00 -5.0927800000e-01 -1.1180940000e+00  8.2467800000e-01  8.8902800000e-01  4.8081900000e-01  1.2008200000e+00  4.1396300000e-01 -2.6016800000e-01  1.5804870000e+00  1.1511870000e+00  1.0064210000e+00
-ENERGY -1.526570027287e+02
-FORCES  2.5100000000e-03  9.3359000000e-03  6.4914000000e-03  4.2995000000e-03 -3.6234000000e-03 -9.6083000000e-03  3.1347000000e-03 -5.1480000000e-04  2.0737000000e-03 -4.6630000000e-04 -5.1397000000e-03  1.3650000000e-04 -7.3738000000e-03  1.2634000000e-03  5.3723000000e-03 -2.1040000000e-03 -1.3214000000e-03 -4.4657000000e-03
-
-JOB 9
-COORDS -1.3638100000e-01  6.0724300000e-01 -1.1473110000e+00  1.7523000000e-02  1.4586140000e+00 -7.3778400000e-01  4.6451000000e-01  5.8707400000e-01 -1.8921300000e+00  1.3100900000e-01 -6.3830800000e-01  1.2272290000e+00 -3.5967000000e-01 -1.4423760000e+00  1.0571090000e+00  9.9500000000e-03 -1.1159100000e-01  4.3720000000e-01
-ENERGY -1.526579517809e+02
-FORCES  4.8596000000e-03 -2.4231000000e-03  2.7277000000e-03  1.0850000000e-04 -8.1487000000e-03  7.2150000000e-04 -3.5791000000e-03  1.6132000000e-03  3.2908000000e-03 -3.1983000000e-03  3.1807000000e-03 -1.6219300000e-02  1.5584000000e-03  1.7233000000e-03  5.2310000000e-04  2.5080000000e-04  4.0546000000e-03  8.9561000000e-03
-
-JOB 10
-COORDS -3.9027700000e-01 -1.3021020000e+00  2.2796900000e-01  3.9463100000e-01 -1.8461930000e+00  1.6382300000e-01 -7.9029000000e-02 -4.1169200000e-01  6.5099000000e-02  3.8483700000e-01  1.2361020000e+00 -2.0913200000e-01 -9.3380000000e-03  1.7792190000e+00  4.7342300000e-01 -1.7904200000e-01  1.3628280000e+00 -9.7216100000e-01
-ENERGY -1.526602327743e+02
-FORCES  8.1846000000e-03  1.5031800000e-02 -1.9224000000e-03 -1.7099000000e-03  2.4209000000e-03 -1.3800000000e-04 -6.1117000000e-03 -9.0522000000e-03 -7.4880000000e-04 -4.3300000000e-03 -1.8451000000e-03  1.4334000000e-03  1.4404000000e-03 -3.5275000000e-03 -4.3719000000e-03  2.5267000000e-03 -3.0279000000e-03  5.7477000000e-03
-
-JOB 11
-COORDS  3.4969300000e-01  1.1910460000e+00 -5.2901100000e-01 -8.2587000000e-02  9.3370800000e-01 -1.3433470000e+00  1.2438990000e+00  8.6116200000e-01 -6.1735300000e-01 -4.4406100000e-01 -1.1848890000e+00  5.6392600000e-01 -6.8078000000e-02 -3.5070800000e-01  2.8283700000e-01  2.0759300000e-01 -1.5528850000e+00  1.1607160000e+00
-ENERGY -1.526578942138e+02
-FORCES -3.3090000000e-04 -3.2506000000e-03 -4.4192000000e-03  2.7732000000e-03 -8.0400000000e-05  6.2474000000e-03 -6.9826000000e-03 -1.8494000000e-03  3.4614000000e-03  4.1371000000e-03  1.3715200000e-02 -2.3283000000e-03  1.0097000000e-03 -1.1462400000e-02 -3.9900000000e-05 -6.0650000000e-04  2.9276000000e-03 -2.9215000000e-03
-
-JOB 12
-COORDS -1.0890470000e+00  8.3374300000e-01  1.7545100000e-01 -2.1697000000e-01  4.5746500000e-01  2.9432000000e-01 -9.3977000000e-01  1.6283240000e+00 -3.3698300000e-01  9.8508100000e-01 -8.4165700000e-01 -1.1833500000e-01  9.9923000000e-01 -1.0319290000e+00 -1.0563260000e+00  1.8845660000e+00 -9.9450300000e-01  1.7114000000e-01
-ENERGY -1.526592588360e+02
-FORCES  1.1844600000e-02 -6.5753000000e-03 -9.7390000000e-04 -6.4409000000e-03  6.3904000000e-03  8.0800000000e-04  5.9920000000e-04 -3.2810000000e-03  7.8310000000e-04 -3.4056000000e-03  1.3389000000e-03 -3.1389000000e-03  1.9817000000e-03  1.0208000000e-03  4.8585000000e-03 -4.5790000000e-03  1.1063000000e-03 -2.3368000000e-03
-
-JOB 13
-COORDS -4.2791200000e-01 -1.2396980000e+00 -3.1363600000e-01  1.3222300000e-01 -1.8399050000e+00 -8.0580600000e-01 -5.6327200000e-01 -1.6739260000e+00  5.2859700000e-01  4.2252400000e-01  1.3449750000e+00  2.5637900000e-01  1.1205700000e-01  4.7753300000e-01 -3.2110000000e-03  3.5350800000e-01  1.3487930000e+00  1.2110800000e+00
-ENERGY -1.526601942413e+02
-FORCES  3.2134000000e-03 -8.6570000000e-04  1.3790000000e-03 -3.1762000000e-03  2.3742000000e-03  3.3528000000e-03  1.5910000000e-03  2.9527000000e-03 -4.0651000000e-03 -4.6499000000e-03 -1.2778400000e-02 -1.2665000000e-03  3.1312000000e-03  9.4159000000e-03  3.1555000000e-03 -1.0960000000e-04 -1.0986000000e-03 -2.5558000000e-03
-
-JOB 14
-COORDS  6.0859500000e-01 -6.9900000000e-02  1.1798380000e+00  1.5657820000e+00 -7.3866000000e-02  1.1769750000e+00  3.7225900000e-01  1.6438100000e-01  2.0773290000e+00 -7.0999500000e-01  2.5740000000e-02 -1.2462340000e+00 -2.1505000000e-01  6.7293600000e-01 -1.7486270000e+00 -1.7423900000e-01 -1.3613300000e-01 -4.6970700000e-01
-ENERGY -1.526597659046e+02
-FORCES -2.6654000000e-03  1.5999000000e-03  3.7200000000e-05 -5.0309000000e-03  7.3380000000e-04 -2.8080000000e-04  3.4700000000e-03 -1.1572000000e-03 -3.3649000000e-03  6.5207000000e-03  1.6913000000e-03  1.0625300000e-02 -6.5990000000e-04 -2.0107000000e-03  1.8108000000e-03 -1.6346000000e-03 -8.5720000000e-04 -8.8277000000e-03
-
-JOB 15
-COORDS  1.2053410000e+00 -7.6395800000e-01 -2.2400000000e-01  5.2626700000e-01 -1.3735900000e-01  2.5929000000e-02  9.5087900000e-01 -1.0573840000e+00 -1.0988620000e+00 -1.1022610000e+00  7.0900500000e-01  2.2529100000e-01 -2.0340980000e+00  4.9108000000e-01  2.0481800000e-01 -1.0540030000e+00  1.5073540000e+00  7.5116500000e-01
-ENERGY -1.526598940815e+02
-FORCES -1.2324500000e-02  5.8093000000e-03 -9.1440000000e-04  8.2788000000e-03 -1.1969000000e-03  3.4150000000e-04  9.3140000000e-04  3.3000000000e-06  2.1777000000e-03 -4.0420000000e-04 -2.9123000000e-03  5.5060000000e-04  3.7246000000e-03  2.9155000000e-03  3.5040000000e-04 -2.0600000000e-04 -4.6189000000e-03 -2.5059000000e-03
-
-JOB 16
-COORDS -6.7968600000e-01  1.1073400000e-01  1.2451700000e+00 -5.8756400000e-01  5.3848000000e-02  2.9411300000e-01 -1.5284080000e+00  5.3254100000e-01  1.3792680000e+00  7.2180900000e-01 -1.0877800000e-01 -1.1323890000e+00  1.2414840000e+00  2.8988300000e-01 -1.8304140000e+00  2.5216900000e-01 -8.2403000000e-01 -1.5614380000e+00
-ENERGY -1.526569544461e+02
-FORCES  3.5580000000e-03  1.9679000000e-03 -7.9685000000e-03 -6.8356000000e-03 -3.7022000000e-03  4.8006000000e-03  3.3219000000e-03 -1.3160000000e-03 -1.8975000000e-03  2.1603000000e-03  7.6820000000e-04 -1.5755000000e-03 -2.2222000000e-03 -3.1112000000e-03  2.5885000000e-03  1.7600000000e-05  5.3933000000e-03  4.0523000000e-03
-
-JOB 17
-COORDS  3.3059000000e-01  1.3265340000e+00  2.9202700000e-01  1.3400000000e-04  1.4139650000e+00 -6.0205700000e-01 -3.1211300000e-01  1.7870740000e+00  8.3153500000e-01 -2.4348700000e-01 -1.4105950000e+00 -3.0302500000e-01  1.5638600000e-01 -6.0922800000e-01  3.4828000000e-02 -1.1774030000e+00 -1.3085330000e+00 -1.1968200000e-01
-ENERGY -1.526595053548e+02
-FORCES -4.1632000000e-03  2.3005000000e-03 -1.6094000000e-03  1.0356000000e-03 -2.5592000000e-03  5.9190000000e-03  2.4130000000e-03 -2.6537000000e-03 -3.4697000000e-03  3.9390000000e-04  1.0236100000e-02  5.9618000000e-03 -2.1557000000e-03 -7.4577000000e-03 -5.5715000000e-03  2.4764000000e-03  1.3400000000e-04 -1.2302000000e-03
-
-JOB 18
-COORDS -7.1708400000e-01 -1.2477370000e+00 -3.1344100000e-01 -8.5495000000e-01 -1.3947370000e+00  6.2230300000e-01 -4.3208600000e-01 -3.3593800000e-01 -3.7370300000e-01  6.6463300000e-01  1.1956790000e+00  2.0736000000e-01  5.5700600000e-01  1.5506120000e+00  1.0897830000e+00  1.5707840000e+00  8.8837600000e-01  1.8116100000e-01
-ENERGY -1.526600389540e+02
-FORCES  4.3390000000e-03  1.0772000000e-02  5.0465000000e-03  3.1660000000e-04 -2.2900000000e-04 -2.2858000000e-03 -3.6045000000e-03 -7.8254000000e-03 -3.0032000000e-03  2.8189000000e-03 -1.9601000000e-03  3.3288000000e-03  9.5920000000e-04 -2.5295000000e-03 -3.8884000000e-03 -4.8292000000e-03  1.7720000000e-03  8.0220000000e-04
-
-JOB 19
-COORDS  1.1448930000e+00  6.0984500000e-01 -6.9049700000e-01  1.1173520000e+00 -3.2149500000e-01 -4.7122800000e-01  2.7264400000e-01  8.0113400000e-01 -1.0352040000e+00 -1.1281980000e+00 -6.3591400000e-01  7.0826900000e-01 -1.1811600000e+00 -4.1971000000e-02 -4.0503000000e-02 -5.6055000000e-01 -1.8451600000e-01  1.3329660000e+00
-ENERGY -1.526519410385e+02
-FORCES -5.3632000000e-03 -6.5367000000e-03 -1.2450000000e-04  1.2432000000e-03  5.3034000000e-03 -4.3010000000e-04 -9.5190000000e-04 -1.3466000000e-03  4.4294000000e-03  4.4113000000e-03  7.7609000000e-03  2.9070000000e-04  3.2070000000e-03 -1.4111000000e-03 -1.7904000000e-03 -2.5464000000e-03 -3.7699000000e-03 -2.3751000000e-03
-
-JOB 20
-COORDS -7.2911500000e-01 -5.9329900000e-01  1.1344370000e+00 -3.6443800000e-01 -2.3755700000e-01  3.2407200000e-01 -2.8148100000e-01 -1.4312440000e+00  1.2515020000e+00  6.2142800000e-01  6.0630300000e-01 -1.0620980000e+00  9.0065000000e-01  1.4678030000e+00 -1.3720730000e+00  1.3596140000e+00  2.9597000000e-02 -1.2588830000e+00
-ENERGY -1.526597868437e+02
-FORCES  5.4702000000e-03  3.4891000000e-03 -7.9843000000e-03 -3.2951000000e-03 -6.6517000000e-03  6.3712000000e-03 -4.9680000000e-04  2.8211000000e-03 -1.2641000000e-03  2.0217000000e-03  2.5972000000e-03  9.2430000000e-04  2.9760000000e-04 -4.7031000000e-03  2.0470000000e-04 -3.9975000000e-03  2.4474000000e-03  1.7482000000e-03
-
-JOB 21
-COORDS  1.2224850000e+00  7.3557300000e-01  3.3943000000e-01  1.8722290000e+00  1.6589100000e-01  7.5116800000e-01  4.1078900000e-01  2.2871000000e-01  3.6111600000e-01 -1.1704160000e+00 -6.4868000000e-01 -3.2252500000e-01 -1.6579300000e+00 -1.4679570000e+00 -2.3681500000e-01 -1.4341060000e+00 -3.0048800000e-01 -1.1742650000e+00
-ENERGY -1.526611546006e+02
-FORCES -6.7839000000e-03 -7.3211000000e-03 -3.9180000000e-04 -2.3660000000e-03  1.2384000000e-03 -1.1189000000e-03  7.5589000000e-03  5.5214000000e-03  1.8068000000e-03 -2.7480000000e-04 -3.5250000000e-04 -2.8994000000e-03  1.7539000000e-03  3.6778000000e-03 -1.6175000000e-03  1.1190000000e-04 -2.7639000000e-03  4.2207000000e-03
-
-JOB 22
-COORDS -2.8691600000e-01  1.4374740000e+00 -2.0590500000e-01 -1.5602100000e-01  4.9049500000e-01 -2.5416400000e-01 -3.6990500000e-01  1.6208920000e+00  7.2988400000e-01  2.9084600000e-01 -1.3411970000e+00  1.8807700000e-01 -2.6046100000e-01 -2.1090810000e+00  3.3856500000e-01  7.6463000000e-01 -1.5404510000e+00 -6.1942400000e-01
-ENERGY -1.526604577560e+02
-FORCES  1.4272000000e-03 -1.0814200000e-02  5.9444000000e-03  3.9340000000e-04  7.7777000000e-03 -5.0611000000e-03 -3.0280000000e-04  5.4530000000e-04 -2.6061000000e-03 -9.8390000000e-04 -3.2814000000e-03 -1.1774000000e-03  3.5496000000e-03  3.1886000000e-03 -9.8280000000e-04 -4.0835000000e-03  2.5841000000e-03  3.8830000000e-03
-
-JOB 23
-COORDS  9.0289700000e-01  1.1019090000e+00 -5.0896800000e-01  7.8642400000e-01  3.0844800000e-01  1.3608000000e-02  2.4346000000e-02  1.3117560000e+00 -8.2573900000e-01 -7.9009900000e-01 -1.0308150000e+00  4.5483500000e-01 -1.6962770000e+00 -7.7013100000e-01  6.1950700000e-01 -6.7977500000e-01 -1.8419270000e+00  9.5097700000e-01
-ENERGY -1.526587608423e+02
-FORCES -8.7201000000e-03 -8.2177000000e-03  2.5715000000e-03  5.9579000000e-03  4.2457000000e-03 -1.1819000000e-03  2.1857000000e-03  1.6062000000e-03  2.2610000000e-04 -3.1198000000e-03 -3.9210000000e-04  1.6053000000e-03  4.1275000000e-03 -1.5088000000e-03 -1.1052000000e-03 -4.3120000000e-04  4.2668000000e-03 -2.1158000000e-03
-
-JOB 24
-COORDS  1.3320200000e+00 -8.0117000000e-02 -5.6422100000e-01  1.3065280000e+00 -7.7723900000e-01  9.1219000000e-02  1.1862320000e+00 -5.2848800000e-01 -1.3972520000e+00 -1.3478140000e+00  1.8051400000e-01  6.2512700000e-01 -4.3122000000e-01 -2.3497000000e-02  4.3947600000e-01 -1.8222580000e+00 -1.1958400000e-01 -1.5016300000e-01
-ENERGY -1.526549222390e+02
-FORCES  1.1040000000e-03 -4.1781000000e-03 -2.9762000000e-03 -6.3497000000e-03  6.4397000000e-03 -2.4724000000e-03 -1.3020000000e-04  2.2306000000e-03  4.7339000000e-03  7.4059000000e-03  7.2580000000e-04 -8.1248000000e-03 -3.4097000000e-03 -5.6502000000e-03  6.2115000000e-03  1.3796000000e-03  4.3220000000e-04  2.6280000000e-03
-
-JOB 25
-COORDS  3.5438600000e-01 -7.0341200000e-01 -1.2743330000e+00 -4.8432800000e-01 -1.0188390000e+00 -1.6109300000e+00  1.5717800000e-01 -3.9430400000e-01 -3.9014300000e-01 -3.5629300000e-01  6.8389900000e-01  1.2127810000e+00  6.5638000000e-02  1.5427160000e+00  1.2381040000e+00  2.6195600000e-01  9.9734000000e-02  1.6518150000e+00
-ENERGY -1.526595557635e+02
-FORCES -6.8406000000e-03  4.7208000000e-03  6.7489000000e-03  2.7633000000e-03  7.8490000000e-04  9.4790000000e-04  5.7042000000e-03 -7.0539000000e-03 -4.2065000000e-03  3.3857000000e-03  4.4094000000e-03  2.5294000000e-03 -1.9265000000e-03 -4.6929000000e-03  6.6640000000e-04 -3.0861000000e-03  1.8317000000e-03 -6.6861000000e-03
-
-JOB 26
-COORDS  1.0958360000e+00 -3.9824300000e-01 -9.5520900000e-01  3.2038300000e-01 -6.7622000000e-02 -5.0178400000e-01  1.0800830000e+00 -1.3426670000e+00 -8.0013300000e-01 -9.9628900000e-01  4.1849200000e-01  8.7614200000e-01 -1.2326010000e+00 -2.0887000000e-02  1.6930480000e+00 -1.6520920000e+00  1.1085680000e+00  7.7639400000e-01
-ENERGY -1.526607403930e+02
-FORCES -7.7565000000e-03  9.4500000000e-05  6.9754000000e-03  5.9120000000e-03 -1.7230000000e-03 -6.8997000000e-03  3.1410000000e-04  2.5409000000e-03 -2.1430000000e-04 -1.2174000000e-03  5.5800000000e-05  2.5920000000e-03 -1.1730000000e-04  2.6160000000e-03 -3.6256000000e-03  2.8651000000e-03 -3.5842000000e-03  1.1723000000e-03
-
-JOB 27
-COORDS -1.2262020000e+00 -5.1922900000e-01 -6.9217100000e-01 -4.3621500000e-01 -1.1146900000e-01 -3.3737100000e-01 -1.6649690000e+00  1.8401100000e-01 -1.1708870000e+00  1.2184680000e+00  4.7016100000e-01  6.3521100000e-01  6.4919700000e-01  9.2763200000e-01  1.2539860000e+00  1.5064910000e+00 -3.1143000000e-01  1.1067930000e+00
-ENERGY -1.526606776363e+02
-FORCES  7.8946000000e-03  4.9417000000e-03  6.9380000000e-04 -1.0697000000e-02 -2.4653000000e-03 -1.3790000000e-03  1.9026000000e-03 -1.6522000000e-03  2.4048000000e-03  2.0155000000e-03 -1.7618000000e-03  6.1772000000e-03  1.0027000000e-03 -3.4403000000e-03 -5.5208000000e-03 -2.1183000000e-03  4.3777000000e-03 -2.3760000000e-03
-
-JOB 28
-COORDS  1.0500120000e+00  5.5007300000e-01  8.2675200000e-01  1.4884760000e+00  9.0053400000e-01  5.1408000000e-02  7.1923600000e-01  1.3225400000e+00  1.2851320000e+00 -1.0671150000e+00 -6.6951000000e-01 -8.5561700000e-01 -3.4200100000e-01 -5.3975800000e-01 -2.4438400000e-01 -1.6397980000e+00  8.3907000000e-02 -7.1199300000e-01
-ENERGY -1.526600652780e+02
-FORCES  1.1292000000e-03  5.6900000000e-03 -6.3090000000e-04 -3.5713000000e-03 -2.2007000000e-03  3.8710000000e-03  1.2962000000e-03 -3.4798000000e-03 -2.9812000000e-03  4.7394000000e-03  5.3950000000e-03  7.8726000000e-03 -5.0351000000e-03 -3.4793000000e-03 -7.1840000000e-03  1.4416000000e-03 -1.9251000000e-03 -9.4760000000e-04
-
-JOB 29
-COORDS  9.6705700000e-01  5.1534100000e-01  8.7932800000e-01  1.6120950000e+00 -1.0102300000e-01  1.2261050000e+00  1.0765480000e+00  1.3026520000e+00  1.4126050000e+00 -1.0631060000e+00 -5.5961600000e-01 -9.1434900000e-01 -9.3414200000e-01 -5.7717000000e-02 -1.7191460000e+00 -2.6782000000e-01 -4.0450900000e-01 -4.0474600000e-01
-ENERGY -1.526600478251e+02
-FORCES -7.3500000000e-05  2.7930000000e-03  3.4170000000e-03 -3.6352000000e-03  2.8105000000e-03 -2.1542000000e-03  1.3125000000e-03 -3.9479000000e-03 -1.6490000000e-03  7.0502000000e-03  5.8327000000e-03  3.5257000000e-03 -6.2670000000e-04 -1.4570000000e-03  2.3374000000e-03 -4.0273000000e-03 -6.0314000000e-03 -5.4769000000e-03
-
-JOB 30
-COORDS  9.2192600000e-01  9.5415900000e-01 -5.7031100000e-01  1.3081160000e+00  1.2781100000e-01 -8.6054900000e-01  1.6719770000e+00  1.4988540000e+00 -3.3164300000e-01 -9.7898100000e-01 -9.9467700000e-01  6.1586300000e-01 -3.1707500000e-01 -3.7928400000e-01  3.0057900000e-01 -1.7973910000e+00 -6.8747700000e-01  2.2590900000e-01
-ENERGY -1.526595892442e+02
-FORCES  5.6684000000e-03  1.3491000000e-03 -3.7000000000e-06 -4.8076000000e-03  3.5335000000e-03  4.4406000000e-03 -2.8858000000e-03 -2.8828000000e-03 -2.3022000000e-03  1.3756000000e-03  8.7478000000e-03 -3.0777000000e-03 -1.7311000000e-03 -9.2406000000e-03 -3.7080000000e-04  2.3805000000e-03 -1.5071000000e-03  1.3138000000e-03
-
-JOB 31
-COORDS -2.9863200000e-01 -2.2798000000e-01  1.4659120000e+00 -3.3359000000e-01  9.0869000000e-02  5.6405500000e-01 -1.1250030000e+00 -6.9551900000e-01  1.5873620000e+00  3.2050400000e-01  2.0369100000e-01 -1.3691420000e+00  5.6810600000e-01  1.1243720000e+00 -1.4544190000e+00  4.7676000000e-01 -1.6823900000e-01 -2.2371760000e+00
-ENERGY -1.526593156293e+02
-FORCES -1.2056000000e-03 -1.2500000000e-03 -8.5536000000e-03 -1.7742000000e-03  2.5370000000e-03  8.4279000000e-03  2.6762000000e-03  1.3295000000e-03 -5.4020000000e-04  2.4701000000e-03 -7.9510000000e-04 -3.6218000000e-03 -2.0450000000e-03 -4.7229000000e-03  1.1951000000e-03 -1.2150000000e-04  2.9015000000e-03  3.0925000000e-03
-
-JOB 32
-COORDS -6.1283400000e-01 -7.2149100000e-01 -1.0682800000e+00 -8.2826500000e-01 -1.5031860000e+00 -1.5769790000e+00 -7.4645500000e-01  5.2040000000e-03 -1.6767960000e+00  6.4433400000e-01  7.8956200000e-01  1.1449600000e+00  9.2411300000e-01 -3.9150000000e-03  1.6014140000e+00  1.4053200000e-01  4.7066700000e-01  3.9614700000e-01
-ENERGY -1.526591616940e+02
-FORCES -7.4920000000e-04 -2.1335000000e-03 -3.4356000000e-03  6.4440000000e-04  4.0057000000e-03  1.0971000000e-03  1.2304000000e-03 -3.0797000000e-03  4.7007000000e-03 -2.8543000000e-03 -9.0230000000e-03 -4.5089000000e-03 -1.1390000000e-04  2.9100000000e-03 -1.0690000000e-04  1.8427000000e-03  7.3205000000e-03  2.2536000000e-03
-
-JOB 33
-COORDS -1.4694200000e-01  5.6698000000e-02  1.5351070000e+00 -6.3336500000e-01  8.7398500000e-01  1.4270970000e+00 -2.6037900000e-01 -4.0190600000e-01  7.0261300000e-01  1.3834600000e-01 -1.2949200000e-01 -1.4545840000e+00  1.0543010000e+00  9.9120000000e-03 -1.2141150000e+00 -4.5217000000e-02  5.4920900000e-01 -2.1041240000e+00
-ENERGY -1.526594537108e+02
-FORCES -3.8501000000e-03  1.4286000000e-03 -8.8907000000e-03  1.8193000000e-03 -1.9171000000e-03  1.5539000000e-03  2.5596000000e-03 -1.7330000000e-04  7.2264000000e-03  3.3000000000e-03  4.3161000000e-03 -1.9029000000e-03 -5.2713000000e-03 -1.0513000000e-03 -9.4430000000e-04  1.4425000000e-03 -2.6030000000e-03  2.9575000000e-03
-
-JOB 34
-COORDS  3.6908600000e-01  1.2836220000e+00 -8.1103500000e-01  7.6872800000e-01  1.0632100000e+00  3.0354000000e-02 -4.1329700000e-01  7.3403100000e-01 -8.5641200000e-01 -3.7896600000e-01 -1.1810860000e+00  7.8275300000e-01 -7.9450500000e-01 -1.9875140000e+00  4.7741300000e-01  5.5987100000e-01 -1.3499040000e+00  7.0327600000e-01
-ENERGY -1.526571638209e+02
-FORCES -4.6380000000e-03 -6.5050000000e-03  6.5647000000e-03  2.0382000000e-03  7.6830000000e-04 -2.8718000000e-03  2.1967000000e-03  3.9963000000e-03 -3.7563000000e-03  2.7799000000e-03 -4.8532000000e-03 -1.3723000000e-03  1.8520000000e-03  4.0608000000e-03  7.8520000000e-04 -4.2289000000e-03  2.5329000000e-03  6.5060000000e-04
-
-JOB 35
-COORDS -6.6972900000e-01 -3.7519300000e-01 -1.3444590000e+00 -7.6951400000e-01  5.3727000000e-01 -1.6159130000e+00 -1.4535800000e-01 -3.3172100000e-01 -5.4484800000e-01  6.4639600000e-01  3.1550300000e-01  1.2492860000e+00  2.0999600000e-01 -3.1439600000e-01  1.8228830000e+00  1.0194090000e+00  9.6475600000e-01  1.8455770000e+00
-ENERGY -1.526600279001e+02
-FORCES  4.5456000000e-03  6.3498000000e-03  6.1438000000e-03 -2.9520000000e-04 -2.8223000000e-03 -3.3860000000e-04 -4.5998000000e-03 -4.9478000000e-03 -4.7449000000e-03  3.1040000000e-04  1.7473000000e-03  4.1577000000e-03  2.2017000000e-03  3.0306000000e-03 -3.8034000000e-03 -2.1626000000e-03 -3.3576000000e-03 -1.4147000000e-03
-
-JOB 36
-COORDS  7.6872300000e-01  1.3295900000e-01 -1.3513760000e+00  1.8470400000e-01 -2.4705200000e-01 -6.9506400000e-01  1.6397280000e+00  7.7797000000e-02 -9.5826300000e-01 -7.9325400000e-01 -3.7649000000e-02  1.2779430000e+00 -1.1843300000e-01 -4.2772700000e-01  1.8335400000e+00 -1.3059860000e+00 -7.8258200000e-01  9.6423500000e-01
-ENERGY -1.526559141683e+02
-FORCES -1.5935000000e-03  6.6690000000e-04  9.2465000000e-03  2.5938000000e-03 -3.5883000000e-03 -6.8070000000e-03 -2.6650000000e-03 -2.4130000000e-04 -1.4542000000e-03 -1.0289000000e-03 -2.8090000000e-03  4.7027000000e-03 -2.5749000000e-03  1.7466000000e-03 -4.3919000000e-03  5.2686000000e-03  4.2251000000e-03 -1.2961000000e-03
-
-JOB 37
-COORDS -1.0409730000e+00 -4.0961000000e-02  1.0942600000e+00 -8.4452000000e-02 -6.2142000000e-02  1.0651010000e+00 -1.2695180000e+00 -5.6932400000e-01  1.8590030000e+00  1.0504820000e+00  5.6076000000e-02 -1.0826300000e+00  8.7080600000e-01  9.0995200000e-01 -1.4761310000e+00  4.7284000000e-01 -5.4893800000e-01 -1.5479460000e+00
-ENERGY -1.526591378751e+02
-FORCES  5.5404000000e-03 -8.7810000000e-04  5.0290000000e-04 -6.5014000000e-03 -4.2580000000e-04  4.7214000000e-03  1.6250000000e-03  1.5387000000e-03 -3.4703000000e-03 -5.5975000000e-03  1.0659000000e-03 -4.4147000000e-03  1.2518000000e-03 -3.6297000000e-03  1.4333000000e-03  3.6816000000e-03  2.3290000000e-03  1.2274000000e-03
-
-JOB 38
-COORDS  2.4648700000e-01  1.3403200000e+00 -5.5697900000e-01  1.1971380000e+00  1.4358280000e+00 -6.1504000000e-01 -5.0829000000e-02  2.1485300000e+00 -1.3909000000e-01 -2.8907700000e-01 -1.4543800000e+00  5.0255800000e-01 -9.4036000000e-02 -1.3231010000e+00  1.4304350000e+00 -3.5950200000e-01 -5.6943500000e-01  1.4458500000e-01
-ENERGY -1.526608418231e+02
-FORCES  3.9937000000e-03  4.2026000000e-03  1.7620000000e-04 -4.7576000000e-03  5.5920000000e-04  7.7920000000e-04  1.9376000000e-03 -4.0362000000e-03 -1.4600000000e-03  1.1617000000e-03  8.6937000000e-03 -2.8340000000e-04 -4.3560000000e-04 -4.8940000000e-04 -2.7516000000e-03 -1.8997000000e-03 -8.9300000000e-03  3.5397000000e-03
-
-JOB 39
-COORDS  1.4850290000e+00 -1.5591000000e-01  5.3569000000e-01  1.2813830000e+00  7.3764400000e-01  8.1195300000e-01  6.5651500000e-01 -4.9798500000e-01  1.9986100000e-01 -1.4044550000e+00  1.4490700000e-01 -4.6808800000e-01 -1.5547740000e+00 -7.5858800000e-01 -7.4617500000e-01 -1.5352340000e+00  6.6496100000e-01 -1.2609770000e+00
-ENERGY -1.526583466155e+02
-FORCES -9.6322000000e-03  4.4228000000e-03 -1.3381000000e-03  2.9846000000e-03 -2.1305000000e-03 -2.5490000000e-04  5.6873000000e-03 -4.2422000000e-03  1.0591000000e-03 -2.7048000000e-03  2.3110000000e-04 -5.3721000000e-03  3.4499000000e-03  4.3019000000e-03  2.0447000000e-03  2.1530000000e-04 -2.5832000000e-03  3.8614000000e-03
-
-JOB 40
-COORDS  9.5419200000e-01  6.6678700000e-01 -9.4605500000e-01  9.5348900000e-01  3.9924000000e-01 -1.8651040000e+00  5.2442400000e-01  1.5220820000e+00 -9.4476500000e-01 -9.8516600000e-01 -7.3393800000e-01  9.7015300000e-01 -1.3572300000e-01 -5.5749400000e-01  5.6574400000e-01 -9.6384400000e-01 -2.4841700000e-01  1.7948020000e+00
-ENERGY -1.526601361696e+02
-FORCES -3.0483000000e-03  3.0912000000e-03 -5.0178000000e-03  8.0400000000e-05  1.7224000000e-03  3.9831000000e-03  2.5872000000e-03 -3.6263000000e-03 -5.4900000000e-05  6.4628000000e-03  3.6897000000e-03 -1.7642000000e-03 -5.9380000000e-03 -3.8851000000e-03  6.0067000000e-03 -1.4410000000e-04 -9.9190000000e-04 -3.1529000000e-03
-
-JOB 41
-COORDS  8.8619300000e-01  4.1813200000e-01  1.1790650000e+00  7.4911500000e-01 -3.6046900000e-01  6.3941500000e-01  1.1523870000e+00  7.5061000000e-02  2.0321030000e+00 -8.3148200000e-01 -3.8039300000e-01 -1.2054120000e+00 -1.5011760000e+00 -8.6178800000e-01 -7.1961300000e-01 -1.2623970000e+00  4.3379200000e-01 -1.4655040000e+00
-ENERGY -1.526573126667e+02
-FORCES -3.8220000000e-04 -4.2930000000e-03 -2.9054000000e-03  2.7624000000e-03  1.5984000000e-03  6.9519000000e-03 -1.9877000000e-03  7.1080000000e-04 -3.7438000000e-03 -5.0292000000e-03  4.8701000000e-03  1.0928000000e-03  3.9696000000e-03  1.3746000000e-03 -1.3986000000e-03  6.6710000000e-04 -4.2609000000e-03  3.3000000000e-06
-
-JOB 42
-COORDS  1.2550790000e+00  2.9002000000e-02  8.2404400000e-01  2.0675020000e+00 -4.1694200000e-01  5.8459700000e-01  1.4536690000e+00  9.5995100000e-01  7.2341500000e-01 -1.2978400000e+00 -5.1707000000e-02 -7.3937600000e-01 -1.1680770000e+00  6.1784200000e-01 -1.4110140000e+00 -1.6435920000e+00 -8.0618800000e-01 -1.2162870000e+00
-ENERGY -1.526496966331e+02
-FORCES  1.3330000000e-03  2.2863000000e-03 -2.7938000000e-03 -3.8753000000e-03  1.4036000000e-03  6.6970000000e-04 -6.5010000000e-04 -3.5767000000e-03  2.3440000000e-04  1.8476000000e-03 -9.6130000000e-04 -3.3799000000e-03 -3.0210000000e-04 -2.1152000000e-03  3.1023000000e-03  1.6469000000e-03  2.9633000000e-03  2.1673000000e-03
-
-JOB 43
-COORDS  1.0932850000e+00  1.0607010000e+00 -5.1801400000e-01  1.6455730000e+00  6.5545300000e-01  1.5055500000e-01  2.5760900000e-01  5.9872000000e-01 -4.5130300000e-01 -1.0761120000e+00 -9.4541100000e-01  4.6783400000e-01 -5.3649200000e-01 -1.4750620000e+00  1.0547860000e+00 -1.6367760000e+00 -1.5790290000e+00  2.0154000000e-02
-ENERGY -1.526596099466e+02
-FORCES -4.8676000000e-03 -5.9065000000e-03  4.0864000000e-03 -1.0571000000e-03  1.1836000000e-03 -1.9120000000e-03  6.3655000000e-03  5.4047000000e-03 -2.7555000000e-03 -1.2754000000e-03 -6.0099000000e-03  1.1606000000e-03 -1.9335000000e-03  2.7388000000e-03 -3.0921000000e-03  2.7681000000e-03  2.5893000000e-03  2.5127000000e-03
-
-JOB 44
-COORDS  4.5762400000e-01  1.5438660000e+00 -9.1088000000e-02  6.1327400000e-01  1.5038480000e+00 -1.0347000000e+00  1.3231500000e-01  6.7266100000e-01  1.3564200000e-01 -3.9813500000e-01 -1.4555080000e+00  1.7085500000e-01 -6.2627600000e-01 -1.4648420000e+00 -7.5871300000e-01 -1.0618140000e+00 -2.0060480000e+00  5.8638800000e-01
-ENERGY -1.526593160598e+02
-FORCES -9.6440000000e-04 -7.1067000000e-03 -6.1090000000e-04 -1.0703000000e-03 -3.4650000000e-04  2.8736000000e-03  1.9799000000e-03  8.6687000000e-03 -3.4161000000e-03 -4.4875000000e-03 -5.1037000000e-03 -7.2710000000e-04  1.4869000000e-03  2.0020000000e-03  4.6768000000e-03  3.0554000000e-03  1.8861000000e-03 -2.7964000000e-03
-
-JOB 45
-COORDS -1.2058870000e+00  8.0220900000e-01 -6.5404600000e-01 -4.8600900000e-01  1.9129500000e-01 -4.9658700000e-01 -1.0343010000e+00  1.1554240000e+00 -1.5269890000e+00  1.1086510000e+00 -7.6877900000e-01  6.9930100000e-01  1.3239920000e+00 -1.6942890000e+00  5.8401200000e-01  1.9570020000e+00 -3.2606000000e-01  7.2237300000e-01
-ENERGY -1.526601130773e+02
-FORCES  5.8346000000e-03 -3.2277000000e-03  2.9900000000e-04 -7.1019000000e-03  4.8102000000e-03 -5.2629000000e-03  2.3100000000e-05 -1.3496000000e-03  3.1156000000e-03  5.7404000000e-03 -2.2013000000e-03  2.3126000000e-03 -7.3330000000e-04  4.6725000000e-03  1.3680000000e-04 -3.7629000000e-03 -2.7040000000e-03 -6.0110000000e-04
-
-JOB 46
-COORDS -7.5201700000e-01  1.1750930000e+00  7.7895200000e-01 -6.3748800000e-01  7.0185600000e-01 -4.5161000000e-02 -1.5689720000e+00  8.3209300000e-01  1.1411240000e+00  7.8438200000e-01 -1.1298040000e+00 -8.0533300000e-01  2.3605600000e-01 -1.3018760000e+00 -3.9851000000e-02  1.6256480000e+00 -8.5461000000e-01 -4.4095400000e-01
-ENERGY -1.526576487283e+02
-FORCES -2.2725000000e-03 -1.7566000000e-03 -4.4072000000e-03 -2.3606000000e-03  1.5926000000e-03  7.0202000000e-03  4.1259000000e-03  4.2200000000e-05 -1.5836000000e-03  4.1437000000e-03 -6.9930000000e-04  6.2636000000e-03  9.7000000000e-06  2.5164000000e-03 -4.9895000000e-03 -3.6462000000e-03 -1.6953000000e-03 -2.3035000000e-03
-
-JOB 47
-COORDS -4.8514700000e-01 -3.6971400000e-01 -1.5090500000e+00  2.0176900000e-01  4.8456000000e-02 -9.8990500000e-01 -9.4310500000e-01 -9.3689500000e-01 -8.8871800000e-01  4.7161600000e-01  4.2984900000e-01  1.4072090000e+00  1.2502350000e+00  7.2307000000e-02  1.8339970000e+00 -2.4509300000e-01 -1.2830300000e-01  1.7089140000e+00
-ENERGY -1.526576013508e+02
-FORCES  2.4832000000e-03  1.3867000000e-03  7.9861000000e-03 -2.3902000000e-03 -2.7218000000e-03 -6.4936000000e-03  4.9290000000e-04  1.0974000000e-03 -1.8432000000e-03 -1.2000000000e-04 -2.8267000000e-03  5.6493000000e-03 -3.8334000000e-03  1.3941000000e-03 -2.5284000000e-03  3.3675000000e-03  1.6703000000e-03 -2.7702000000e-03
-
-JOB 48
-COORDS -6.4258500000e-01  1.4560330000e+00 -4.7255700000e-01 -2.0506300000e-01  7.1307700000e-01 -5.6836000000e-02 -5.7976000000e-01  2.1621270000e+00  1.7065100000e-01  6.3952800000e-01 -1.3896230000e+00  3.9744400000e-01 -1.8597300000e-01 -1.5716490000e+00  8.4649600000e-01  1.0018230000e+00 -2.2537040000e+00  2.0164200000e-01
-ENERGY -1.526587072548e+02
-FORCES  4.3898000000e-03 -1.9977000000e-03  3.1706000000e-03 -5.9481000000e-03  6.2175000000e-03 -8.7100000000e-05 -3.8120000000e-04 -2.8939000000e-03 -2.1059000000e-03  2.1700000000e-05 -7.0054000000e-03 -4.8260000000e-04  3.9877000000e-03  2.6971000000e-03 -2.3318000000e-03 -2.0698000000e-03  2.9824000000e-03  1.8369000000e-03
-
-JOB 49
-COORDS  4.0971600000e-01 -1.5786150000e+00  3.1257800000e-01  4.0467500000e-01 -6.4613200000e-01  9.6521000000e-02  1.3028060000e+00 -1.7510570000e+00  6.1071400000e-01 -4.6991300000e-01  1.4727180000e+00 -2.8331400000e-01 -1.8694200000e-01  2.2982630000e+00  1.0992200000e-01 -6.2668100000e-01  1.6863250000e+00 -1.2031120000e+00
-ENERGY -1.526598584997e+02
-FORCES  1.4995000000e-03  5.9508000000e-03  3.2100000000e-05  3.0144000000e-03 -9.0341000000e-03  9.5550000000e-04 -3.0509000000e-03  9.6740000000e-04 -1.0061000000e-03 -1.4713000000e-03  6.3246000000e-03 -2.1377000000e-03 -1.1899000000e-03 -3.5505000000e-03 -2.2771000000e-03  1.1982000000e-03 -6.5810000000e-04  4.4333000000e-03
-
-JOB 50
-COORDS -9.7203700000e-01  9.5930600000e-01 -9.1284900000e-01 -3.0684500000e-01  1.6317110000e+00 -7.6580500000e-01 -9.3826900000e-01  7.9016400000e-01 -1.8543810000e+00  9.4028100000e-01 -1.0479520000e+00  9.7704000000e-01  1.6324420000e+00 -3.8717100000e-01  9.9971100000e-01  1.8834900000e-01 -5.9486500000e-01  5.9554000000e-01
-ENERGY -1.526584096000e+02
-FORCES  1.0935000000e-03  3.5330000000e-03 -6.1602000000e-03 -2.1602000000e-03 -4.4291000000e-03  3.2440000000e-04 -5.4300000000e-05  1.3848000000e-03  4.3750000000e-03 -2.6777000000e-03  5.1151000000e-03 -2.9077000000e-03 -2.3119000000e-03 -1.9616000000e-03 -2.7990000000e-04  6.1106000000e-03 -3.6422000000e-03  4.6484000000e-03
-
-JOB 51
-COORDS  2.1674400000e-01 -1.6796030000e+00 -4.0523100000e-01  2.5658600000e-01 -1.5337470000e+00 -1.3504130000e+00  1.5531300000e-01 -8.0147200000e-01 -2.9273000000e-02 -1.7993100000e-01  1.5676630000e+00  4.3146400000e-01  9.0500000000e-02  2.4747110000e+00  2.8876300000e-01 -1.1040870000e+00  1.6279990000e+00  6.7338400000e-01
-ENERGY -1.526595719148e+02
-FORCES  5.4150000000e-04  6.8240000000e-03 -1.6290000000e-03 -2.0780000000e-04 -1.2238000000e-03  2.9351000000e-03 -7.2950000000e-04 -7.9870000000e-03 -1.5596000000e-03 -1.9542000000e-03  6.3587000000e-03  8.4090000000e-04 -2.0651000000e-03 -3.4798000000e-03  8.0480000000e-04  4.4151000000e-03 -4.9210000000e-04 -1.3922000000e-03
-
-JOB 52
-COORDS -1.2203470000e+00  3.3241700000e-01  1.0776120000e+00 -2.0854780000e+00  4.4784200000e-01  1.4706220000e+00 -6.0722800000e-01  5.0400500000e-01  1.7923670000e+00  1.2728170000e+00 -3.2360000000e-01 -1.0935950000e+00  8.4521200000e-01 -1.1796190000e+00 -1.0687680000e+00  8.9990700000e-01  1.0875100000e-01 -1.8618680000e+00
-ENERGY -1.526547177181e+02
-FORCES  7.3360000000e-04  1.8298000000e-03  4.8994000000e-03  3.6946000000e-03 -6.1040000000e-04 -2.2007000000e-03 -3.6936000000e-03 -8.2910000000e-04 -2.0945000000e-03 -6.0716000000e-03 -1.0542000000e-03 -1.7913000000e-03  3.0432000000e-03  2.5059000000e-03 -9.2860000000e-04  2.2937000000e-03 -1.8420000000e-03  2.1158000000e-03
-
-JOB 53
-COORDS  1.0118400000e-01 -3.0958000000e-02 -1.7518500000e+00 -6.5564700000e-01 -6.1194700000e-01 -1.8285990000e+00 -8.8990000000e-02  5.1100800000e-01 -9.8612300000e-01  6.4280000000e-03  7.6356000000e-02  1.7125860000e+00 -7.9054000000e-02 -7.0812400000e-01  2.2543570000e+00 -8.0073300000e-01  1.0225800000e-01  1.1987260000e+00
-ENERGY -1.526528535825e+02
-FORCES -1.8298000000e-03 -1.1060000000e-04  3.7316000000e-03  2.7710000000e-03  2.5493000000e-03  1.0644000000e-03 -2.3612000000e-03 -2.2439000000e-03 -3.6426000000e-03 -2.9241000000e-03 -4.9295000000e-03  1.5372000000e-03  2.9100000000e-05  3.6822000000e-03 -2.0366000000e-03  4.3150000000e-03  1.0525000000e-03 -6.5400000000e-04
-
-JOB 54
-COORDS  3.8902500000e-01  1.4380820000e+00 -8.4230500000e-01  4.3035600000e-01  1.3780450000e+00  1.1211600000e-01  1.0911880000e+00  2.0455060000e+00 -1.0751890000e+00 -4.2455200000e-01 -1.4058790000e+00  7.8682400000e-01 -1.1907870000e+00 -1.8447910000e+00  1.1562450000e+00  2.3135100000e-01 -2.0979920000e+00  7.0313400000e-01
-ENERGY -1.526549830873e+02
-FORCES  1.8649000000e-03  6.1870000000e-04  4.2895000000e-03  9.4060000000e-04  3.0828000000e-03 -4.4608000000e-03 -2.6568000000e-03 -2.8525000000e-03  8.5510000000e-04 -7.2990000000e-04 -5.4691000000e-03 -2.2840000000e-04  3.3262000000e-03  1.8648000000e-03 -1.4477000000e-03 -2.7451000000e-03  2.7554000000e-03  9.9230000000e-04
-
-JOB 55
-COORDS  6.5529300000e-01  1.1298740000e+00 -1.1300270000e+00  2.6310300000e-01  3.4930200000e-01 -1.5213420000e+00  3.0235600000e-01  1.8579150000e+00 -1.6415190000e+00 -6.5045200000e-01 -1.0985680000e+00  1.1391190000e+00  3.0359300000e-01 -1.0335860000e+00  1.1816340000e+00 -8.8471800000e-01 -1.6717680000e+00  1.8690450000e+00
-ENERGY -1.526558185365e+02
-FORCES -4.8181000000e-03 -1.6550000000e-04 -3.1380000000e-03  3.1790000000e-03  3.4771000000e-03  7.5790000000e-04  1.5461000000e-03 -2.8114000000e-03  1.6715000000e-03  3.5438000000e-03 -8.4870000000e-04  3.8058000000e-03 -4.4213000000e-03 -2.1941000000e-03 -1.8160000000e-04  9.7050000000e-04  2.5425000000e-03 -2.9156000000e-03
-
-JOB 56
-COORDS -6.9085300000e-01 -1.4678030000e+00 -6.6786900000e-01 -7.8239400000e-01 -1.4451860000e+00  2.8467500000e-01  8.9759000000e-02 -2.0000750000e+00 -8.2137300000e-01  6.4125900000e-01  1.5009350000e+00  6.9024000000e-01  9.2963200000e-01  7.1074200000e-01  2.3343900000e-01  5.6860800000e-01  2.1627120000e+00  2.4870000000e-03
-ENERGY -1.526560536471e+02
-FORCES  1.6600000000e-05 -3.5960000000e-03  3.7112000000e-03  1.5537000000e-03 -4.7650000000e-04 -4.8750000000e-03 -2.6006000000e-03  3.8051000000e-03  8.7940000000e-04 -5.0890000000e-04 -9.0690000000e-04 -6.5328000000e-03  7.2150000000e-04  3.2299000000e-03  3.7978000000e-03  8.1760000000e-04 -2.0555000000e-03  3.0194000000e-03
-
-JOB 57
-COORDS  8.1483300000e-01  1.3031200000e-01 -1.5798200000e+00  2.8106000000e-02  1.0933100000e-01 -1.0349800000e+00  7.6109000000e-01 -6.6505000000e-01 -2.1096720000e+00 -7.6974700000e-01 -2.1478000000e-02  1.5560910000e+00  2.0501000000e-02 -5.1912800000e-01  1.7660540000e+00 -1.4880600000e+00 -6.3443500000e-01  1.7127480000e+00
-ENERGY -1.526577639867e+02
-FORCES -4.5837000000e-03 -2.0095000000e-03  1.2137000000e-03  4.7030000000e-03 -9.9690000000e-04 -5.6930000000e-03  2.0170000000e-04  2.7793000000e-03  2.3961000000e-03  6.8090000000e-04 -4.1319000000e-03  4.9114000000e-03 -4.3829000000e-03  1.8257000000e-03 -1.3401000000e-03  3.3810000000e-03  2.5334000000e-03 -1.4881000000e-03
-
-JOB 58
-COORDS -1.0629110000e+00  1.4370200000e+00 -2.8434200000e-01 -1.4539320000e+00  1.2246080000e+00 -1.1318180000e+00 -1.2702380000e+00  6.8530200000e-01  2.7078700000e-01  1.0607100000e+00 -1.4304090000e+00  3.3653800000e-01  1.9454250000e+00 -1.5164020000e+00 -1.8591000000e-02  8.2733900000e-01 -5.1531500000e-01  1.8042000000e-01
-ENERGY -1.526571912791e+02
-FORCES -5.7724000000e-03 -2.6281000000e-03 -1.5878000000e-03  2.0132000000e-03  1.0878000000e-03  3.7813000000e-03  3.6046000000e-03  3.3573000000e-03 -3.0222000000e-03  3.7539000000e-03  4.2110000000e-03 -2.4155000000e-03 -3.4623000000e-03  1.4880000000e-04  1.3332000000e-03 -1.3710000000e-04 -6.1768000000e-03  1.9110000000e-03
-
-JOB 59
-COORDS -3.8863200000e-01 -3.2526100000e-01  1.7237010000e+00 -6.1085900000e-01  1.0982000000e-01  2.5468360000e+00 -9.9256000000e-01 -1.0661740000e+00  1.6732020000e+00  3.9196900000e-01  3.0186700000e-01 -1.7844430000e+00  4.3975100000e-01  7.0227500000e-01 -9.1632800000e-01  1.1270080000e+00  6.8255000000e-01 -2.2651000000e+00
-ENERGY -1.526570695731e+02
-FORCES -4.0901000000e-03 -2.6764000000e-03  3.6076000000e-03  9.9320000000e-04 -1.7547000000e-03 -3.5326000000e-03  2.4199000000e-03  3.3134000000e-03  1.1455000000e-03  2.8345000000e-03  2.6363000000e-03  3.3527000000e-03  6.3100000000e-04 -1.6050000000e-04 -6.4449000000e-03 -2.7885000000e-03 -1.3581000000e-03  1.8717000000e-03
-
-JOB 60
-COORDS -2.2398300000e-01 -1.5789790000e+00 -1.0579530000e+00 -7.0507500000e-01 -1.2791860000e+00 -2.8665100000e-01 -9.0433000000e-01 -1.8377840000e+00 -1.6795480000e+00  2.5409000000e-01  1.5189350000e+00  1.0551840000e+00  2.7791500000e-01  2.1301140000e+00  3.1889300000e-01  9.3717400000e-01  1.8312730000e+00  1.6485420000e+00
-ENERGY -1.526558088956e+02
-FORCES -4.3551000000e-03  9.3680000000e-04  2.0194000000e-03  1.0181000000e-03 -3.0855000000e-03 -4.3658000000e-03  2.7208000000e-03  1.2613000000e-03  2.3085000000e-03  3.9671000000e-03  3.8722000000e-03 -1.0720000000e-03 -4.5650000000e-04 -1.9974000000e-03  3.4750000000e-03 -2.8943000000e-03 -9.8750000000e-04 -2.3651000000e-03
-
-JOB 61
-COORDS  1.8545400000e-01  7.5062000000e-02  1.9560620000e+00 -3.6462600000e-01 -3.8869500000e-01  1.3247350000e+00  1.0792120000e+00 -6.2406000000e-02  1.6421660000e+00 -1.7505800000e-01 -5.2458000000e-02 -1.8394200000e+00  8.4970000000e-03  6.3476700000e-01 -2.4799370000e+00 -8.7169900000e-01 -5.7318900000e-01 -2.2391230000e+00
-ENERGY -1.526563412371e+02
-FORCES  1.3687000000e-03 -2.0269000000e-03 -6.2382000000e-03  1.2943000000e-03  8.5550000000e-04  4.6112000000e-03 -2.8045000000e-03  5.2180000000e-04  2.4738000000e-03 -1.9460000000e-03  1.7991000000e-03 -5.3064000000e-03 -7.9540000000e-04 -3.2298000000e-03  2.2843000000e-03  2.8829000000e-03  2.0803000000e-03  2.1754000000e-03
-
-JOB 62
-COORDS  1.6239400000e-01  9.4929700000e-01 -1.6205360000e+00  6.7393600000e-01  1.5112400000e+00 -2.2025800000e+00 -2.6841000000e-02  1.7057800000e-01 -2.1440040000e+00 -1.3848700000e-01 -9.7693900000e-01  1.7011050000e+00 -3.7148000000e-02 -2.6171600000e-01  1.0730780000e+00 -1.0090680000e+00 -8.4511400000e-01  2.0765280000e+00
-ENERGY -1.526576311897e+02
-FORCES  1.9137000000e-03 -2.4370000000e-04 -5.9549000000e-03 -2.3446000000e-03 -2.5155000000e-03  2.0041000000e-03  7.4240000000e-04  3.5918000000e-03  2.3598000000e-03 -2.5982000000e-03  4.5290000000e-03 -1.8251000000e-03 -9.3030000000e-04 -4.6182000000e-03  4.7406000000e-03  3.2170000000e-03 -7.4330000000e-04 -1.3244000000e-03
-
-JOB 63
-COORDS  4.4545900000e-01  1.3738540000e+00 -1.2758480000e+00  1.3087690000e+00  1.6037090000e+00 -9.3220000000e-01  4.4060900000e-01  1.7243460000e+00 -2.1665580000e+00 -5.2693800000e-01 -1.4155050000e+00  1.3690090000e+00 -1.0022170000e+00 -1.5138450000e+00  5.4398100000e-01  3.7573200000e-01 -1.2358960000e+00  1.1060270000e+00
-ENERGY -1.526552601299e+02
-FORCES  3.3479000000e-03  3.7141000000e-03 -2.4710000000e-03 -3.4934000000e-03 -1.6514000000e-03 -1.4276000000e-03  3.1800000000e-05 -1.5657000000e-03  3.7937000000e-03  1.5347000000e-03  1.9110000000e-03 -5.8043000000e-03  1.3338000000e-03 -9.9620000000e-04  3.8355000000e-03 -2.7547000000e-03 -1.4119000000e-03  2.0737000000e-03
-
-JOB 64
-COORDS  1.3145590000e+00 -8.3592600000e-01 -1.2512040000e+00  5.9420500000e-01 -2.2385200000e-01 -1.4018240000e+00  1.9848470000e+00 -5.7809300000e-01 -1.8840290000e+00 -1.2486390000e+00  7.7515800000e-01  1.2581140000e+00 -1.6620910000e+00  1.7681400000e-01  1.8804280000e+00 -1.8235140000e+00  1.5403470000e+00  1.2427640000e+00
-ENERGY -1.526550612324e+02
-FORCES -1.1095000000e-03  4.2509000000e-03 -1.9462000000e-03  3.8234000000e-03 -3.0397000000e-03 -1.4152000000e-03 -2.6112000000e-03 -1.0093000000e-03  2.4623000000e-03 -3.9620000000e-03  6.2100000000e-05  3.7551000000e-03  1.3211000000e-03  2.9189000000e-03 -2.5103000000e-03  2.5383000000e-03 -3.1829000000e-03 -3.4570000000e-04
-
-JOB 65
-COORDS -1.2409870000e+00 -4.4965900000e-01  1.5908900000e+00 -1.6564060000e+00  3.7936400000e-01  1.8283360000e+00 -3.8478800000e-01 -4.1999600000e-01  2.0178280000e+00  1.1515900000e+00  3.8342300000e-01 -1.6351460000e+00  1.6370330000e+00  9.1459700000e-01 -1.0039310000e+00  1.8174280000e+00  6.9529000000e-02 -2.2469970000e+00
-ENERGY -1.526527882950e+02
-FORCES  1.9314000000e-03  3.4111000000e-03  1.7189000000e-03  1.7654000000e-03 -3.3466000000e-03 -7.2160000000e-04 -3.3674000000e-03  8.4100000000e-05 -1.3206000000e-03  4.4020000000e-03  6.4330000000e-04  1.6300000000e-05 -1.9155000000e-03 -2.0870000000e-03 -2.2772000000e-03 -2.8160000000e-03  1.2951000000e-03  2.5843000000e-03
-
-JOB 66
-COORDS -8.2773900000e-01 -7.2799200000e-01  1.8584170000e+00 -1.0222320000e+00 -2.7611800000e-01  1.0373110000e+00 -1.6077550000e+00 -1.2545600000e+00  2.0331570000e+00  9.0788900000e-01  7.9908000000e-01 -1.8037760000e+00  1.3007440000e+00 -2.6207000000e-02 -1.5195260000e+00  1.5269700000e-01  5.3664800000e-01 -2.3301280000e+00
-ENERGY -1.526548128270e+02
-FORCES -4.0212000000e-03  6.1460000000e-04 -2.2665000000e-03  3.8570000000e-04 -3.0820000000e-03  3.4887000000e-03  3.2443000000e-03  2.0906000000e-03 -9.2740000000e-04  3.4900000000e-05 -4.3740000000e-03 -1.8280000000e-03 -2.2931000000e-03  3.6806000000e-03 -1.3971000000e-03  2.6494000000e-03  1.0702000000e-03  2.9302000000e-03
-
-JOB 67
-COORDS -3.3502000000e-02  1.7800680000e+00 -1.1894320000e+00 -5.0724800000e-01  1.0664680000e+00 -1.6167150000e+00  2.0216400000e-01  2.3728440000e+00 -1.9030910000e+00  6.5690000000e-02 -1.8286630000e+00  1.2082760000e+00  2.0355400000e-01 -8.8863200000e-01  1.0918030000e+00 -4.1287800000e-01 -1.9005210000e+00  2.0341340000e+00
-ENERGY -1.526559824440e+02
-FORCES -8.2170000000e-04  8.2300000000e-05 -5.5200000000e-03  2.1107000000e-03  3.1376000000e-03  2.2780000000e-03 -1.1628000000e-03 -2.4254000000e-03  2.7895000000e-03 -8.7900000000e-04  4.0939000000e-03  3.1425000000e-03 -1.0943000000e-03 -5.0352000000e-03  5.9730000000e-04  1.8471000000e-03  1.4680000000e-04 -3.2873000000e-03
-
-JOB 68
-COORDS -5.4754300000e-01  4.9538500000e-01 -2.0711580000e+00 -1.3035190000e+00 -9.1646000000e-02 -2.0598470000e+00 -9.2166600000e-01  1.3658740000e+00 -2.2072180000e+00  5.6656200000e-01 -5.2520100000e-01  2.0404740000e+00  1.1312020000e+00  2.4555900000e-01  2.0982920000e+00  8.8889000000e-01 -1.1107650000e+00  2.7256390000e+00
-ENERGY -1.526537759926e+02
-FORCES -4.8303000000e-03  5.1870000000e-04  3.7440000000e-04  2.8889000000e-03  2.5576000000e-03 -7.8110000000e-04  1.7019000000e-03 -3.3463000000e-03  4.9860000000e-04  4.0260000000e-03  1.0903000000e-03  2.2624000000e-03 -2.3296000000e-03 -3.1193000000e-03  4.5990000000e-04 -1.4569000000e-03  2.2989000000e-03 -2.8142000000e-03
-
-JOB 69
-COORDS  1.0858280000e+00 -5.1914100000e-01 -1.9640380000e+00  2.1766800000e-01 -5.8006400000e-01 -1.5655170000e+00  9.4571400000e-01 -2.1498000000e-02 -2.7696130000e+00 -1.0809880000e+00  5.2244000000e-01  1.9550420000e+00 -6.2919400000e-01  7.9453400000e-01  2.7538400000e+00 -6.2116800000e-01 -2.6979200000e-01  1.6772530000e+00
-ENERGY -1.526546430751e+02
-FORCES -4.3562000000e-03  2.4989000000e-03 -2.0842000000e-03  3.8806000000e-03 -4.9580000000e-04 -1.0835000000e-03  6.9500000000e-04 -2.1999000000e-03  3.1262000000e-03  4.2916000000e-03 -1.8345000000e-03  2.8304000000e-03 -2.0665000000e-03 -1.1544000000e-03 -3.1340000000e-03 -2.4445000000e-03  3.1857000000e-03  3.4520000000e-04
-
-JOB 70
-COORDS -9.2276000000e-02 -1.9975200000e+00 -1.1225170000e+00 -5.2486100000e-01 -1.2999900000e+00 -1.6150140000e+00 -7.9731300000e-01 -2.6038730000e+00 -8.9560100000e-01  1.1369700000e-01  2.0173460000e+00  1.1815700000e+00  6.6844100000e-01  2.4841060000e+00  5.5656900000e-01  2.3343200000e-01  1.0927200000e+00  9.6486600000e-01
-ENERGY -1.526553945972e+02
-FORCES -5.0993000000e-03 -8.4040000000e-04 -1.7971000000e-03  2.2423000000e-03 -2.4699000000e-03  2.6190000000e-03  3.0033000000e-03  2.6432000000e-03 -9.9150000000e-04  3.3326000000e-03 -2.3572000000e-03 -3.0189000000e-03 -2.4623000000e-03 -1.7433000000e-03  2.3350000000e-03 -1.0166000000e-03  4.7676000000e-03  8.5350000000e-04
-
-JOB 71
-COORDS  1.5833900000e+00 -1.5451440000e+00 -7.8744500000e-01  1.7418000000e+00 -2.4768200000e+00 -6.3539900000e-01  6.5412600000e-01 -1.4930690000e+00 -1.0110240000e+00 -1.5977420000e+00  1.5569700000e+00  7.6989100000e-01 -7.0952200000e-01  1.2200590000e+00  8.8731300000e-01 -1.5334370000e+00  2.4857890000e+00  9.9213400000e-01
-ENERGY -1.526553453138e+02
-FORCES -3.0585000000e-03 -4.2145000000e-03 -8.8940000000e-04 -6.2830000000e-04  3.8356000000e-03 -6.4050000000e-04  4.1743000000e-03  6.2400000000e-05  1.4515000000e-03  4.2035000000e-03  2.7833000000e-03  1.6098000000e-03 -4.3331000000e-03  1.2545000000e-03 -7.0230000000e-04 -3.5790000000e-04 -3.7213000000e-03 -8.2910000000e-04
-
-JOB 72
-COORDS  1.0141540000e+00  6.3268100000e-01 -2.2960470000e+00  1.7038450000e+00  1.1930070000e+00 -1.9402470000e+00  2.8966900000e-01  7.2122500000e-01 -1.6767630000e+00 -9.4871900000e-01 -6.5816000000e-01  2.2665760000e+00 -1.5349490000e+00 -1.3972510000e+00  2.4287810000e+00 -1.4703470000e+00 -4.8048000000e-02  1.7451350000e+00
-ENERGY -1.526539792605e+02
-FORCES  2.8000000000e-04  2.3029000000e-03  4.4496000000e-03 -2.8850000000e-03 -2.0984000000e-03 -1.6901000000e-03  2.4048000000e-03 -6.8200000000e-05 -2.7417000000e-03 -4.7783000000e-03 -1.1049000000e-03 -9.5010000000e-04  2.3851000000e-03  3.2030000000e-03 -6.4580000000e-04  2.5934000000e-03 -2.2344000000e-03  1.5780000000e-03
-
-JOB 73
-COORDS  3.9247500000e-01  2.5106830000e+00  1.8134600000e-01  1.0267310000e+00  2.8961180000e+00 -4.2312900000e-01  8.1864200000e-01  2.5557300000e+00  1.0372580000e+00 -4.5307000000e-01 -2.5597420000e+00 -2.4964900000e-01 -4.4168400000e-01 -3.0619330000e+00  5.6515600000e-01 -4.1610000000e-01 -1.6454780000e+00  3.1398000000e-02
-ENERGY -1.526549175633e+02
-FORCES  4.4817000000e-03  2.5636000000e-03  6.6280000000e-04 -2.6080000000e-03 -1.5799000000e-03  2.6759000000e-03 -1.8599000000e-03 -5.9800000000e-04 -3.4932000000e-03 -7.3000000000e-06  2.2849000000e-03  4.2344000000e-03  3.8100000000e-05  1.9431000000e-03 -3.2020000000e-03 -4.4600000000e-05 -4.6137000000e-03 -8.7780000000e-04
-
-JOB 74
-COORDS  1.2823300000e+00  1.8585440000e+00 -1.5089980000e+00  2.0331800000e+00  2.0426970000e+00 -2.0733940000e+00  1.3674280000e+00  2.4800350000e+00 -7.8599200000e-01 -1.3522660000e+00 -1.8620730000e+00  1.5515980000e+00 -1.6034960000e+00 -2.7660530000e+00  1.3620280000e+00 -7.0022200000e-01 -1.6491620000e+00  8.8396100000e-01
-ENERGY -1.526547972431e+02
-FORCES  3.3471000000e-03  3.7283000000e-03  5.8960000000e-04 -3.0594000000e-03 -8.2090000000e-04  2.3268000000e-03 -2.2320000000e-04 -2.6613000000e-03 -3.0390000000e-03  1.7126000000e-03 -2.4710000000e-03 -3.9074000000e-03  9.8700000000e-04  3.5422000000e-03  8.4870000000e-04 -2.7640000000e-03 -1.3173000000e-03  3.1812000000e-03
-
-JOB 75
-COORDS  1.4157910000e+00  1.5622080000e+00 -1.8027210000e+00  1.3965680000e+00  9.3987800000e-01 -1.0756950000e+00  2.3339400000e+00  1.8243170000e+00 -1.8700470000e+00 -1.5012520000e+00 -1.5024190000e+00  1.7158030000e+00 -9.3708500000e-01 -2.2554970000e+00  1.5402460000e+00 -1.5281620000e+00 -1.4401230000e+00  2.6705940000e+00
-ENERGY -1.526541337668e+02
-FORCES  3.1813000000e-03 -1.5173000000e-03  2.9512000000e-03  6.8000000000e-04  2.5480000000e-03 -3.2364000000e-03 -3.6823000000e-03 -1.0858000000e-03  2.6320000000e-04  1.5835000000e-03 -3.0462000000e-03  3.3681000000e-03 -2.0164000000e-03  3.3588000000e-03  6.4100000000e-04  2.5390000000e-04 -2.5730000000e-04 -3.9871000000e-03
-
-JOB 76
-COORDS -1.5051740000e+00  8.0696500000e-01  2.1780850000e+00 -2.3326210000e+00  1.2650820000e+00  2.3253670000e+00 -1.1446740000e+00  1.2105050000e+00  1.3885110000e+00  1.5320260000e+00 -9.1055600000e-01 -2.1336470000e+00  2.1953850000e+00 -3.9298100000e-01 -2.5900490000e+00  8.7488300000e-01 -2.7069500000e-01 -1.8598320000e+00
-ENERGY -1.526533864282e+02
-FORCES -2.0422000000e-03  3.4651000000e-03 -2.3102000000e-03  3.4829000000e-03 -1.8805000000e-03 -6.6490000000e-04 -1.3375000000e-03 -1.7053000000e-03  2.8091000000e-03  1.4390000000e-04  4.4725000000e-03 -7.1950000000e-04 -2.8171000000e-03 -2.0811000000e-03  1.9065000000e-03  2.5701000000e-03 -2.2707000000e-03 -1.0209000000e-03
-
-JOB 77
-COORDS -2.9207000000e-02  2.8911670000e+00  1.2130500000e-01  4.3850500000e-01  2.8124180000e+00 -7.1012500000e-01 -8.4608500000e-01  2.4116370000e+00 -1.6513000000e-02  2.5887000000e-02 -2.9016610000e+00 -2.2876000000e-02  2.5062200000e-01 -1.9751620000e+00  6.2710000000e-02  1.8369700000e-01 -3.1026660000e+00 -9.4533200000e-01
-ENERGY -1.526539512854e+02
-FORCES -1.7192000000e-03 -1.5258000000e-03 -3.9224000000e-03 -1.8856000000e-03 -7.8500000000e-05  3.5032000000e-03  3.6970000000e-03  1.6327000000e-03  5.1150000000e-04  1.8636000000e-03  2.7814000000e-03 -3.1304000000e-03 -1.2174000000e-03 -3.7866000000e-03 -6.9490000000e-04 -7.3850000000e-04  9.7680000000e-04  3.7331000000e-03
-
-JOB 78
-COORDS  2.1942410000e+00 -1.9376600000e-01 -1.9411580000e+00  1.2851570000e+00 -3.8022000000e-01 -2.1757480000e+00  2.3056740000e+00  7.3722100000e-01 -2.1337140000e+00 -2.1771140000e+00  2.0858400000e-01  1.9555830000e+00 -2.5148890000e+00 -5.1018100000e-01  2.4899200000e+00 -1.3517260000e+00 -1.2273600000e-01  1.6017570000e+00
-ENERGY -1.526544699826e+02
-FORCES -3.0255000000e-03  3.2461000000e-03 -2.2265000000e-03  3.6739000000e-03  6.3080000000e-04  1.3566000000e-03 -4.6920000000e-04 -3.9019000000e-03  8.5690000000e-04  2.1470000000e-03 -4.3292000000e-03  1.0725000000e-03  1.3198000000e-03  2.9327000000e-03 -2.2297000000e-03 -3.6461000000e-03  1.4214000000e-03  1.1702000000e-03
-
-JOB 79
-COORDS  6.1109000000e-01 -3.1503100000e-01 -2.9304000000e+00 -3.2587200000e-01 -3.7935600000e-01 -2.7454770000e+00  1.0108060000e+00 -9.9029800000e-01 -2.3822460000e+00 -5.3543100000e-01  3.3428400000e-01  2.8503830000e+00 -6.3712200000e-01  1.5329100000e-01  3.7847990000e+00 -1.2704120000e+00  9.0874100000e-01  2.6358280000e+00
-ENERGY -1.526543727220e+02
-FORCES -2.0586000000e-03 -2.9854000000e-03  3.5005000000e-03  3.6389000000e-03  3.2000000000e-04 -9.8910000000e-04 -1.5946000000e-03  2.6080000000e-03 -2.5883000000e-03 -3.2831000000e-03  1.8793000000e-03  3.1378000000e-03  3.8040000000e-04  6.9980000000e-04 -3.8563000000e-03  2.9170000000e-03 -2.5217000000e-03  7.9540000000e-04
-
-JOB 80
-COORDS  9.1068600000e-01 -1.9127620000e+00  2.2573770000e+00  6.8860700000e-01 -1.8286190000e+00  1.3301050000e+00  1.2633990000e+00 -1.0561700000e+00  2.4983650000e+00 -9.0006400000e-01  1.8066450000e+00 -2.2495100000e+00 -1.3903600000e+00  2.5345190000e+00 -2.6316640000e+00 -7.4289800000e-01  2.0725810000e+00 -1.3435250000e+00
-ENERGY -1.526541620699e+02
-FORCES  6.1050000000e-04  3.5805000000e-03 -3.0139000000e-03  9.1960000000e-04 -2.0070000000e-04  4.0521000000e-03 -1.5400000000e-03 -3.3364000000e-03 -9.5050000000e-04 -1.6430000000e-03  4.3397000000e-03  1.8125000000e-03  2.0620000000e-03 -2.9804000000e-03  1.6250000000e-03 -4.0910000000e-04 -1.4027000000e-03 -3.5252000000e-03
-
-JOB 81
-COORDS -1.9196520000e+00 -4.3529900000e-01 -2.6414360000e+00 -1.7999310000e+00 -1.3812820000e+00 -2.5576880000e+00 -1.5061550000e+00 -7.0854000000e-02 -1.8588550000e+00  1.8595110000e+00  4.7626500000e-01  2.6416590000e+00  2.0535610000e+00  1.0126010000e+00  1.8729470000e+00  2.3556330000e+00 -3.3047500000e-01  2.5028610000e+00
-ENERGY -1.526541031375e+02
-FORCES  1.8866000000e-03 -2.4026000000e-03  3.6956000000e-03 -3.7250000000e-04  3.8666000000e-03 -4.0660000000e-04 -1.4572000000e-03 -1.4534000000e-03 -3.3697000000e-03  3.2284000000e-03 -9.1760000000e-04 -3.3419000000e-03 -1.0665000000e-03 -2.3689000000e-03  2.9988000000e-03 -2.2188000000e-03  3.2758000000e-03  4.2380000000e-04
-
-JOB 82
-COORDS  1.7078520000e+00  4.9795700000e-01 -2.9083320000e+00  1.9574460000e+00 -1.7663200000e-01 -2.2767740000e+00  2.5332570000e+00  9.1888800000e-01 -3.1486530000e+00 -1.7705410000e+00 -5.6020300000e-01  2.8871570000e+00 -1.1273210000e+00  7.0900000000e-03  3.3122190000e+00 -2.3882460000e+00  4.3918000000e-02  2.4751960000e+00
-ENERGY -1.526542490963e+02
-FORCES  4.3488000000e-03 -1.2398000000e-03  1.5707000000e-03 -9.3040000000e-04  2.8900000000e-03 -2.6181000000e-03 -3.3721000000e-03 -1.6569000000e-03  1.0111000000e-03 -3.3900000000e-05  4.8720000000e-03 -6.9400000000e-05 -2.5280000000e-03 -2.3735000000e-03 -1.7020000000e-03  2.5156000000e-03 -2.4918000000e-03  1.8077000000e-03
-
-JOB 83
-COORDS  1.6438540000e+00  7.2060400000e-01 -2.9639980000e+00  2.0271860000e+00  7.4293000000e-02 -2.3710640000e+00  2.3720580000e+00  9.9793000000e-01 -3.5199130000e+00 -1.7062650000e+00 -7.1777500000e-01  3.0283390000e+00 -1.2155520000e+00 -2.8316000000e-02  2.5810360000e+00 -2.3034610000e+00 -1.0580990000e+00  2.3621790000e+00
-ENERGY -1.526543524203e+02
-FORCES  4.7042000000e-03 -1.4941000000e-03 -8.1600000000e-05 -1.7219000000e-03  2.6869000000e-03 -2.2916000000e-03 -2.9831000000e-03 -1.1470000000e-03  2.3027000000e-03 -5.7580000000e-04  1.5706000000e-03 -4.6240000000e-03 -1.8846000000e-03 -2.9101000000e-03  1.9183000000e-03  2.4611000000e-03  1.2937000000e-03  2.7763000000e-03
-
-JOB 84
-COORDS  3.5254600000e-01 -3.7493120000e+00 -1.0516300000e+00  7.8038100000e-01 -3.4771620000e+00 -1.8634940000e+00  5.2094100000e-01 -3.0327490000e+00 -4.3973700000e-01 -3.8259600000e-01  3.6618480000e+00  1.1163160000e+00 -9.8022100000e-01  3.5499050000e+00  3.7702900000e-01  1.7817800000e-01  4.3949590000e+00  8.6271600000e-01
-ENERGY -1.526542006264e+02
-FORCES  2.4633000000e-03  4.0647000000e-03 -6.6500000000e-04 -1.7670000000e-03 -1.1076000000e-03  3.2429000000e-03 -6.9480000000e-04 -2.9860000000e-03 -2.6106000000e-03 -2.8550000000e-04  2.7426000000e-03 -3.9495000000e-03  2.5417000000e-03  3.5350000000e-04  2.9844000000e-03 -2.2576000000e-03 -3.0672000000e-03  9.9780000000e-04
-
-JOB 85
-COORDS -2.5151070000e+00  1.5543750000e+00 -2.9100940000e+00 -3.1371450000e+00  1.3286020000e+00 -2.2184820000e+00 -1.8587910000e+00  2.0981440000e+00 -2.4744380000e+00  2.4993230000e+00 -1.6056950000e+00  2.7916260000e+00  2.1199270000e+00 -1.7293720000e+00  3.6616810000e+00  3.1340510000e+00 -8.9822800000e-01  2.9049460000e+00
-ENERGY -1.526540632699e+02
-FORCES  2.6520000000e-04  1.1229000000e-03  4.6715000000e-03  2.4561000000e-03  9.9780000000e-04 -2.8424000000e-03 -2.7254000000e-03 -2.1000000000e-03 -1.8102000000e-03  1.1601000000e-03  2.2565000000e-03  4.0337000000e-03  1.5011000000e-03  5.5870000000e-04 -3.5757000000e-03 -2.6572000000e-03 -2.8359000000e-03 -4.7690000000e-04
-
-JOB 86
-COORDS  8.4580800000e-01  4.1371280000e+00 -2.0497800000e-01 -8.2123000000e-02  4.2522460000e+00 -4.0973200000e-01  8.8626000000e-01  3.3045060000e+00  2.6548500000e-01 -8.4727400000e-01 -4.1509650000e+00  1.8582500000e-01 -5.0374800000e-01 -3.5235110000e+00 -4.5019600000e-01 -4.4385500000e-01 -3.8966610000e+00  1.0157730000e+00
-ENERGY -1.526539360283e+02
-FORCES -3.6745000000e-03 -2.7581000000e-03  1.1055000000e-03  3.8315000000e-03 -5.4460000000e-04  8.3930000000e-04 -1.3830000000e-04  3.2737000000e-03 -1.9542000000e-03  3.1193000000e-03  3.4098000000e-03  7.5060000000e-04 -1.4522000000e-03 -2.4525000000e-03  2.6655000000e-03 -1.6858000000e-03 -9.2820000000e-04 -3.4067000000e-03
-
-JOB 87
-COORDS -7.7898200000e-01 -1.5493670000e+00  4.5925960000e+00 -1.1437610000e+00 -1.3368420000e+00  5.4516660000e+00 -5.6399700000e-01 -2.4805340000e+00  4.6468430000e+00  7.8143900000e-01  1.6604830000e+00 -4.6389270000e+00  5.2201100000e-01  1.0169320000e+00 -3.9795560000e+00  1.1214530000e+00  1.1369220000e+00 -5.3645350000e+00
-ENERGY -1.526541161807e+02
-FORCES -6.1640000000e-04 -2.8837000000e-03  3.7916000000e-03  1.4886000000e-03 -8.9180000000e-04 -3.5128000000e-03 -8.7410000000e-04  3.7874000000e-03 -2.6600000000e-04  3.1130000000e-04 -4.7608000000e-03 -1.5220000000e-04  1.0694000000e-03  2.6118000000e-03 -2.7826000000e-03 -1.3789000000e-03  2.1370000000e-03  2.9220000000e-03
-
-JOB 88
-COORDS -4.8606650000e+00  2.9371470000e+00 -2.2054800000e+00 -5.0956460000e+00  3.7804170000e+00 -1.8182970000e+00 -4.2458870000e+00  3.1573750000e+00 -2.9053220000e+00  4.8702500000e+00 -3.0022910000e+00  2.1703890000e+00  5.1261790000e+00 -2.4308620000e+00  2.8944060000e+00  4.0432520000e+00 -3.3924520000e+00  2.4533750000e+00
-ENERGY -1.526541012621e+02
-FORCES  1.5596000000e-03  4.3350000000e-03 -1.3064000000e-03  9.5640000000e-04 -3.4416000000e-03 -1.5633000000e-03 -2.5176000000e-03 -8.9120000000e-04  2.8659000000e-03 -2.3679000000e-03  7.3140000000e-04  4.1005000000e-03 -1.0265000000e-03 -2.3229000000e-03 -2.9524000000e-03  3.3961000000e-03  1.5893000000e-03 -1.1443000000e-03
-
-JOB 89
-COORDS -8.0925260000e+00 -4.5099230000e+00  2.5162200000e-01 -8.1738180000e+00 -3.8173430000e+00 -4.0409000000e-01 -7.1692050000e+00 -4.7606610000e+00  2.2264700000e-01  8.0279300000e+00  4.4330620000e+00 -2.4852200000e-01  7.4662900000e+00  5.1915890000e+00 -8.9054000000e-02  8.8488310000e+00  4.6445850000e+00  1.9601300000e-01
-ENERGY -1.526540916213e+02
-FORCES  3.4453000000e-03  1.8005000000e-03 -2.7957000000e-03  3.2470000000e-04 -2.8229000000e-03  2.6757000000e-03 -3.7716000000e-03  1.0221000000e-03  1.2020000000e-04  1.0705000000e-03  3.9620000000e-03  2.4667000000e-03  2.2833000000e-03 -3.0980000000e-03 -6.5290000000e-04 -3.3522000000e-03 -8.6380000000e-04 -1.8139000000e-03
-
-JOB 0
-COORDS -1.3762200000e-01  7.8267100000e-01  1.0294410000e+00  1.1403000000e-02  1.5889800000e-01  3.1885700000e-01 -4.4129100000e-01  1.5776290000e+00  5.9119400000e-01  1.2066900000e-01 -7.6875100000e-01 -9.1734000000e-01  2.2060000000e-03 -4.7035900000e-01 -1.8190940000e+00  7.2513700000e-01 -1.5077120000e+00 -9.8652900000e-01
-ENERGY -1.526538582407e+02
-FORCES  2.4432000000e-03 -1.5507900000e-02 -2.1717200000e-02 -3.2480000000e-04  2.1831000000e-03  4.0190000000e-03  7.2180000000e-04 -2.6567000000e-03 -7.2550000000e-04 -8.3400000000e-04  1.4168400000e-02  1.5276600000e-02  1.5275000000e-03 -2.6200000000e-03  4.3850000000e-03 -3.5336000000e-03  4.4331000000e-03 -1.2378000000e-03
-
-JOB 1
-COORDS -1.0116600000e+00  6.8982900000e-01  4.5882800000e-01 -8.6282000000e-02  4.5361400000e-01  5.2293400000e-01 -1.0566270000e+00  1.2825390000e+00 -2.9144200000e-01  9.9036900000e-01 -6.7103100000e-01 -4.5985500000e-01  5.1404000000e-02 -8.5692300000e-01 -4.6431800000e-01  1.3312630000e+00 -1.1749240000e+00  2.7914100000e-01
-ENERGY -1.526535709669e+02
-FORCES  1.7359100000e-02 -1.8522000000e-03 -7.1568000000e-03 -7.3329000000e-03 -7.8330000000e-03 -4.3200000000e-05 -4.9410000000e-04 -3.5986000000e-03  2.0035000000e-03 -1.2339800000e-02  7.9810000000e-04  2.6996000000e-03  6.7095000000e-03  6.7445000000e-03  4.2043000000e-03 -3.9018000000e-03  5.7412000000e-03 -1.7075000000e-03
-
-JOB 2
-COORDS -7.4713100000e-01 -2.2496800000e-01  1.1526250000e+00 -3.3801500000e-01 -2.0684700000e-01  2.8745000000e-01 -4.3942800000e-01  5.7414200000e-01  1.5803800000e+00  6.5523300000e-01  2.1166600000e-01 -1.0920980000e+00  1.5957330000e+00  2.4403200000e-01 -9.1704200000e-01  5.6677800000e-01 -4.1056100000e-01 -1.8140680000e+00
-ENERGY -1.526591867578e+02
-FORCES  9.4750000000e-03  5.9103000000e-03 -1.4273100000e-02 -5.1682000000e-03 -3.7424000000e-03  6.2978000000e-03 -3.5200000000e-05 -2.2040000000e-03 -5.9720000000e-04  9.4600000000e-05 -2.5050000000e-03  4.9433000000e-03 -5.0825000000e-03 -2.0730000000e-04 -1.4163000000e-03  7.1630000000e-04  2.7482000000e-03  5.0455000000e-03
-
-JOB 3
-COORDS  1.0972280000e+00  4.9546600000e-01  6.6415300000e-01  1.7110140000e+00 -2.1530500000e-01  8.4936500000e-01  3.9319100000e-01  8.0766000000e-02  1.6556700000e-01 -1.0401730000e+00 -4.3491300000e-01 -6.2004500000e-01 -1.3092060000e+00 -1.1231150000e+00 -1.2285110000e+00 -1.7898520000e+00  1.5908400000e-01 -5.8288000000e-01
-ENERGY -1.526597103827e+02
-FORCES -1.1090900000e-02 -7.6115000000e-03 -7.3102000000e-03 -2.3870000000e-03  1.0589000000e-03 -1.4366000000e-03  5.7570000000e-03  3.8286000000e-03  4.5107000000e-03  5.1071000000e-03  3.1268000000e-03  2.7015000000e-03 -4.4620000000e-04  3.7821000000e-03  2.9547000000e-03  3.0601000000e-03 -4.1848000000e-03 -1.4201000000e-03
-
-JOB 4
-COORDS -2.6855300000e-01 -1.2342760000e+00 -2.1769400000e-01 -1.1096720000e+00 -1.6373990000e+00 -4.3273700000e-01  3.8137100000e-01 -1.8991860000e+00 -4.4512500000e-01  2.3175100000e-01  1.3460970000e+00  2.5356800000e-01  1.0976300000e-01  3.9675800000e-01  2.6388100000e-01  1.1590150000e+00  1.4666980000e+00  4.8947000000e-02
-ENERGY -1.526587036481e+02
-FORCES -1.5680000000e-04  6.5001000000e-03 -4.3790000000e-04  5.0879000000e-03 -4.6000000000e-06  4.9320000000e-04 -3.7373000000e-03  2.9261000000e-03  5.9640000000e-04 -1.2468000000e-03 -1.5006800000e-02 -3.6521000000e-03  2.3819000000e-03  7.2034000000e-03  2.6056000000e-03 -2.3288000000e-03 -1.6182000000e-03  3.9480000000e-04
-
-JOB 5
-COORDS -1.0211420000e+00 -2.1693800000e-01 -9.5099100000e-01 -1.6125550000e+00  4.2539700000e-01 -5.5873200000e-01 -2.0264600000e-01 -1.1793200000e-01 -4.6468500000e-01  9.5647800000e-01  2.0271100000e-01  8.7060100000e-01  1.1949920000e+00 -7.1452800000e-01  7.3637700000e-01  1.6325820000e+00  5.4324300000e-01  1.4563930000e+00
-ENERGY -1.526565498074e+02
-FORCES  6.3481000000e-03  7.3779000000e-03  1.0093600000e-02  3.2240000000e-04 -1.7684000000e-03 -2.0720000000e-03  8.7850000000e-04 -8.5289000000e-03 -1.6860000000e-03 -8.5780000000e-04 -5.2760000000e-04 -1.7520000000e-03 -3.5058000000e-03  6.6540000000e-03 -2.7217000000e-03 -3.1853000000e-03 -3.2070000000e-03 -1.8619000000e-03
-
-JOB 6
-COORDS -3.4551100000e-01  1.3354780000e+00  1.9197500000e-01  3.1642300000e-01  2.0257890000e+00  1.5265500000e-01  1.5621800000e-01  5.2794300000e-01  3.0327500000e-01  2.6798500000e-01 -1.3320220000e+00 -2.5761700000e-01 -4.0999600000e-01 -1.4074620000e+00  4.1386200000e-01  1.0703000000e+00 -1.1482600000e+00  2.3100800000e-01
-ENERGY -1.526515500998e+02
-FORCES  4.1213000000e-03 -8.5053000000e-03 -4.6329000000e-03 -1.2826000000e-03 -4.3649000000e-03 -4.5500000000e-05  1.1473000000e-03  2.6808000000e-03  7.5940000000e-03 -2.5474000000e-03  2.9090000000e-04  3.0749000000e-03  5.3192000000e-03  3.6946000000e-03 -3.4167000000e-03 -6.7578000000e-03  6.2038000000e-03 -2.5739000000e-03
-
-JOB 7
-COORDS  8.0070400000e-01 -1.0392440000e+00 -9.3181000000e-02  5.7639600000e-01 -1.7333860000e+00  5.2656500000e-01  1.7484260000e+00 -1.1141510000e+00 -2.0472700000e-01 -8.2980000000e-01  1.1408400000e+00  2.5955000000e-02 -1.6348240000e+00  9.2881500000e-01  4.9841000000e-01 -2.4863500000e-01  3.9985100000e-01  1.9746000000e-01
-ENERGY -1.526590438655e+02
-FORCES  9.6980000000e-04  2.0172000000e-03  8.1100000000e-05  6.8090000000e-04  4.8815000000e-03 -2.6496000000e-03 -4.9107000000e-03 -1.2157000000e-03  1.0317000000e-03  7.1411000000e-03 -1.1025700000e-02 -4.6530000000e-04  3.2409000000e-03 -1.0595000000e-03 -1.0379000000e-03 -7.1219000000e-03  6.4024000000e-03  3.0400000000e-03
-
-JOB 8
-COORDS -7.8656500000e-01 -1.0812490000e+00 -1.5948300000e-01 -9.4848100000e-01 -1.8107950000e+00 -7.5762800000e-01 -1.4207300000e-01 -1.4192200000e+00  4.6231900000e-01  8.1966100000e-01  1.1307480000e+00  1.3291600000e-01  3.2609000000e-02  5.8849100000e-01  8.0584000000e-02  5.6365800000e-01  1.8731270000e+00  6.8024300000e-01
-ENERGY -1.526599138322e+02
-FORCES  4.3110000000e-03 -1.1287000000e-03 -2.3461000000e-03  1.2616000000e-03  1.6840000000e-03  3.9496000000e-03 -4.0035000000e-03  3.4735000000e-03 -3.4303000000e-03 -7.7572000000e-03 -4.6692000000e-03 -2.5813000000e-03  6.6045000000e-03  4.2572000000e-03  6.0871000000e-03 -4.1640000000e-04 -3.6167000000e-03 -1.6790000000e-03
-
-JOB 9
-COORDS  1.7402800000e-01  1.3028450000e+00 -4.6220500000e-01 -2.4541500000e-01  2.1217790000e+00 -1.9829900000e-01 -1.1540200000e-01  6.6413400000e-01  1.8934000000e-01 -1.7815000000e-01 -1.2851580000e+00  3.9873100000e-01 -5.0002000000e-02 -2.1844510000e+00  9.6934000000e-02  6.5234300000e-01 -1.0502910000e+00  8.1267700000e-01
-ENERGY -1.526554737050e+02
-FORCES -4.8421000000e-03 -6.1824000000e-03  1.8912000000e-03  8.6730000000e-04 -4.1797000000e-03 -3.6110000000e-04  6.4529000000e-03  4.8931000000e-03  2.9451000000e-03  3.7106000000e-03 -5.7890000000e-04 -4.6485000000e-03  3.6710000000e-04  3.2775000000e-03  2.2015000000e-03 -6.5557000000e-03  2.7704000000e-03 -2.0281000000e-03
-
-JOB 10
-COORDS -1.2688900000e+00  4.1106900000e-01 -1.3282800000e-01 -1.4874730000e+00  1.3232950000e+00  5.7694000000e-02 -1.4068050000e+00  3.2318000000e-01 -1.0759540000e+00  1.2812080000e+00 -5.1705500000e-01  1.9374900000e-01  6.9246400000e-01  2.3674900000e-01  2.3106600000e-01  2.1125590000e+00 -1.5718200000e-01 -1.1540700000e-01
-ENERGY -1.526568942804e+02
-FORCES -9.0630000000e-04 -2.0264000000e-03 -4.7501000000e-03  4.4434000000e-03 -4.6409000000e-03 -8.2260000000e-04  3.2110000000e-04  1.8454000000e-03  4.8169000000e-03 -8.7081000000e-03  4.9019000000e-03 -4.7180000000e-04  9.5872000000e-03 -9.6700000000e-05  9.5660000000e-04 -4.7373000000e-03  1.6700000000e-05  2.7110000000e-04
-
-JOB 11
-COORDS -2.4501800000e-01  8.1629900000e-01  1.1285450000e+00  1.3582800000e-01  1.6714570000e+00  1.3282750000e+00  3.5033800000e-01  4.3296200000e-01  4.8446800000e-01  2.3613500000e-01 -8.5182200000e-01 -1.0459130000e+00 -5.1566900000e-01 -1.3784350000e+00 -1.3173920000e+00  2.9099400000e-01 -1.5616100000e-01 -1.7011060000e+00
-ENERGY -1.526576493902e+02
-FORCES  3.2658000000e-03 -5.7452000000e-03 -5.7481000000e-03 -6.8390000000e-04 -3.6325000000e-03 -3.0230000000e-03  3.2890000000e-04  8.4319000000e-03  4.4660000000e-03 -7.5169000000e-03  9.0000000000e-04  3.4300000000e-05  3.9893000000e-03  2.0096000000e-03 -8.4690000000e-04  6.1680000000e-04 -1.9639000000e-03  5.1177000000e-03
-
-JOB 12
-COORDS  4.1594000000e-01  1.2840640000e+00 -8.9508000000e-02  8.8758800000e-01  1.1392970000e+00 -9.0976500000e-01  2.5573500000e-01  2.2275190000e+00 -6.8083000000e-02 -4.8471500000e-01 -1.3653440000e+00  1.2788300000e-01  2.7482000000e-01 -1.3816420000e+00 -4.5441700000e-01 -2.7245700000e-01 -6.9812700000e-01  7.8056900000e-01
-ENERGY -1.526550213539e+02
-FORCES -9.5560000000e-04 -2.0600000000e-05 -4.3700000000e-03 -1.3061000000e-03 -2.5430000000e-04  3.9783000000e-03  3.9570000000e-04 -4.4953000000e-03 -4.1320000000e-04  5.2513000000e-03  1.1369300000e-02 -2.7790000000e-04 -1.8046000000e-03 -5.7170000000e-04  1.0750000000e-04 -1.5807000000e-03 -6.0274000000e-03  9.7540000000e-04
-
-JOB 13
-COORDS -3.3287200000e-01 -1.0899000000e+00 -8.1001100000e-01 -4.9382000000e-01 -1.9319350000e+00 -1.2358090000e+00 -3.2057500000e-01 -1.2924700000e+00  1.2542800000e-01  4.0837100000e-01  1.1343190000e+00  7.7879800000e-01  3.2594000000e-02  1.8247920000e+00  1.3249390000e+00 -3.2019400000e-01  8.3558200000e-01  2.3457300000e-01
-ENERGY -1.526578345451e+02
-FORCES  1.8385000000e-03 -3.9258000000e-03  1.9667000000e-03  1.3479000000e-03  2.9354000000e-03  2.6715000000e-03 -3.0545000000e-03  2.3090000000e-03 -5.4035000000e-03 -3.5495000000e-03  1.0236000000e-03 -4.1806000000e-03  9.7470000000e-04 -3.2641000000e-03 -2.5669000000e-03  2.4429000000e-03  9.2190000000e-04  7.5129000000e-03
-
-JOB 14
-COORDS -1.3212810000e+00 -3.1020400000e-01  5.9165800000e-01 -1.3408560000e+00 -5.8496200000e-01 -3.2505200000e-01 -5.9221500000e-01 -7.9917800000e-01  9.7323300000e-01  1.2368890000e+00  3.5535700000e-01 -6.1417500000e-01  2.1350200000e+00  2.6936000000e-02 -5.7255000000e-01  1.0593400000e+00  6.8110700000e-01  2.6820500000e-01
-ENERGY -1.526559162587e+02
-FORCES  6.4894000000e-03 -3.4047000000e-03 -7.1887000000e-03 -2.9679000000e-03  1.3700000000e-04  4.1828000000e-03 -1.6067000000e-03  3.4986000000e-03  1.0593000000e-03 -4.6200000000e-05  2.8821000000e-03  4.1063000000e-03 -4.9715000000e-03  4.2600000000e-04  8.3010000000e-04  3.1029000000e-03 -3.5390000000e-03 -2.9899000000e-03
-
-JOB 15
-COORDS  1.2308310000e+00  6.3327500000e-01  3.4723400000e-01  2.1588780000e+00  4.0525700000e-01  4.0171000000e-01  1.1615020000e+00  1.4688680000e+00  8.0898000000e-01 -1.3378640000e+00 -6.4591200000e-01 -4.1398400000e-01 -1.1564640000e+00 -4.8806100000e-01  5.1252000000e-01 -5.4714000000e-01 -1.0725820000e+00 -7.4404500000e-01
-ENERGY -1.526559152884e+02
-FORCES  2.1445000000e-03  4.1846000000e-03  1.0475000000e-03 -4.7510000000e-03  3.9080000000e-04 -7.6820000000e-04  4.5660000000e-04 -4.3028000000e-03 -1.3039000000e-03  1.0455300000e-02  2.4521000000e-03  3.3817000000e-03 -4.0848000000e-03 -1.0852000000e-03 -1.7132000000e-03 -4.2206000000e-03 -1.6395000000e-03 -6.4390000000e-04
-
-JOB 16
-COORDS -8.0291900000e-01  1.9649000000e-01  1.1947250000e+00 -6.9259400000e-01 -7.5293900000e-01  1.1432890000e+00 -7.8482900000e-01  3.8976400000e-01  2.1320340000e+00  8.5707600000e-01 -1.4612700000e-01 -1.2316690000e+00  5.2491000000e-01 -4.4142000000e-01 -2.0794310000e+00  7.1399000000e-02  4.6061000000e-02 -7.1980400000e-01
-ENERGY -1.526586142269e+02
-FORCES  2.4399000000e-03 -1.3605000000e-03  5.4193000000e-03 -9.1180000000e-04  5.5850000000e-03 -2.1299000000e-03 -6.4370000000e-04 -2.1028000000e-03 -3.3944000000e-03 -4.7529000000e-03  3.1506000000e-03  1.7304000000e-03  4.5490000000e-04  8.1210000000e-04  3.9610000000e-03  3.4136000000e-03 -6.0842000000e-03 -5.5865000000e-03
-
-JOB 17
-COORDS -9.6534900000e-01 -7.5187000000e-02 -1.0856640000e+00 -1.6152920000e+00 -5.4464000000e-01 -5.6276900000e-01 -1.0295220000e+00 -4.6709400000e-01 -1.9565960000e+00  9.5366400000e-01  9.0836000000e-02  1.1447130000e+00  7.6315500000e-01  1.7078000000e-01  2.1007500000e-01  1.8600190000e+00  3.8630800000e-01  1.2310220000e+00
-ENERGY -1.526606283288e+02
-FORCES -4.5843000000e-03 -3.9030000000e-03  1.8080000000e-04  2.4542000000e-03  1.9002000000e-03 -3.9751000000e-03  2.6280000000e-04  1.5395000000e-03  4.0249000000e-03 -1.1273000000e-03  1.2736000000e-03 -6.2029000000e-03  6.2579000000e-03  2.0970000000e-04  7.4826000000e-03 -3.2633000000e-03 -1.0200000000e-03 -1.5104000000e-03
-
-JOB 18
-COORDS  5.5603900000e-01  1.0262100000e-01 -1.3517770000e+00 -3.3707400000e-01  2.1393400000e-01 -1.6776460000e+00  9.0669300000e-01 -6.3007600000e-01 -1.8581650000e+00 -4.9599100000e-01 -1.8588000000e-02  1.3669510000e+00 -6.7688700000e-01 -4.6331000000e-02  2.3064930000e+00 -8.6881800000e-01 -8.3187200000e-01  1.0266560000e+00
-ENERGY -1.526512873424e+02
-FORCES -2.5408000000e-03 -4.4840000000e-04 -1.6973000000e-03  3.6545000000e-03 -1.5629000000e-03  1.2414000000e-03 -1.7719000000e-03  2.6596000000e-03  3.2429000000e-03 -7.8800000000e-04 -4.3170000000e-03 -1.1650000000e-04  1.6119000000e-03  3.7690000000e-04 -4.6303000000e-03 -1.6570000000e-04  3.2919000000e-03  1.9598000000e-03
-
-JOB 19
-COORDS -9.2373800000e-01  1.2072780000e+00 -1.3262000000e-01 -3.4458300000e-01  4.4648100000e-01 -1.7734400000e-01 -1.7832950000e+00  8.6968700000e-01 -3.8446300000e-01  9.6358700000e-01 -1.0891800000e+00  1.4167100000e-01  6.7411800000e-01 -1.6461440000e+00 -5.8098400000e-01  8.5562200000e-01 -1.6330160000e+00  9.2193900000e-01
-ENERGY -1.526599458920e+02
-FORCES  4.0083000000e-03 -7.5280000000e-03  7.0380000000e-04 -7.8899000000e-03  6.6149000000e-03 -3.4826000000e-03  3.2928000000e-03  1.5030000000e-04  7.4000000000e-04  7.4290000000e-04 -5.6039000000e-03  2.7083000000e-03 -6.5690000000e-04  4.5343000000e-03  3.9435000000e-03  5.0290000000e-04  1.8325000000e-03 -4.6129000000e-03
-
-JOB 20
-COORDS  3.8425800000e-01 -1.3829600000e+00 -1.2156900000e-01 -4.5377200000e-01 -1.8383150000e+00 -2.0274200000e-01  9.7161100000e-01 -2.0292870000e+00  2.7023400000e-01 -3.9817600000e-01  1.4761790000e+00  4.7000000000e-02 -3.8008300000e-01  5.5784200000e-01  3.1637300000e-01  1.0192200000e-01  1.9343070000e+00  7.2246400000e-01
-ENERGY -1.526583484435e+02
-FORCES  1.1408000000e-03 -5.1291000000e-03 -4.0760000000e-04  3.9095000000e-03  3.8618000000e-03  1.7410000000e-03 -3.0355000000e-03  2.6419000000e-03 -2.1338000000e-03  5.0813000000e-03 -6.8890000000e-03  2.3620000000e-03 -5.5344000000e-03  6.9741000000e-03  5.6480000000e-04 -1.5617000000e-03 -1.4597000000e-03 -2.1264000000e-03
-
-JOB 21
-COORDS -1.4339000000e-02 -1.2758210000e+00  8.2157000000e-01 -8.1952800000e-01 -1.7443200000e+00  6.0154500000e-01  4.3558100000e-01 -1.1653760000e+00 -1.6049000000e-02  7.9260000000e-03  1.3328740000e+00 -7.9846600000e-01  6.8174000000e-01  6.7376200000e-01 -9.6513100000e-01 -9.6851000000e-02  1.3336960000e+00  1.5298200000e-01
-ENERGY -1.526534011476e+02
-FORCES -3.7177000000e-03 -1.4184000000e-03 -6.1159000000e-03  3.7761000000e-03  1.6471000000e-03  1.4573000000e-03  5.4200000000e-04  2.9707000000e-03  2.4875000000e-03  1.5991000000e-03 -4.1517000000e-03  6.9652000000e-03 -2.8246000000e-03 -1.6099000000e-03  3.2930000000e-04  6.2520000000e-04  2.5623000000e-03 -5.1233000000e-03
-
-JOB 22
-COORDS  3.5106500000e-01 -1.4836170000e+00  2.3431800000e-01  2.4126500000e-01 -5.3300000000e-01  2.1187700000e-01  1.2727130000e+00 -1.6239360000e+00  1.7275000000e-02 -3.5404800000e-01  1.3791550000e+00 -2.0842100000e-01 -1.2530470000e+00  1.4882200000e+00  1.0164000000e-01 -1.7321600000e-01  2.1768760000e+00 -7.0558600000e-01
-ENERGY -1.526609303362e+02
-FORCES  1.8462000000e-03  8.1203000000e-03 -2.3476000000e-03  5.4960000000e-04 -8.9574000000e-03  2.9650000000e-03 -2.7310000000e-03  4.7380000000e-04  5.2510000000e-04 -2.2782000000e-03  3.2321000000e-03 -2.0042000000e-03  4.6013000000e-03 -1.2590000000e-04 -1.5993000000e-03 -1.9879000000e-03 -2.7428000000e-03  2.4611000000e-03
-
-JOB 23
-COORDS -9.3849900000e-01  7.4021900000e-01  8.5893400000e-01 -1.5293130000e+00  1.1485310000e+00  1.4917460000e+00 -4.4431900000e-01  1.4703480000e+00  4.8620300000e-01  9.1522100000e-01 -8.4430200000e-01 -9.0484900000e-01  1.2717490000e+00 -8.6940000000e-03 -1.2063100000e+00  1.0658960000e+00 -8.4247700000e-01  4.0416000000e-02
-ENERGY -1.526531477033e+02
-FORCES -1.3139000000e-03  4.6672000000e-03 -8.0580000000e-04  2.7694000000e-03 -2.2660000000e-03 -3.2275000000e-03 -6.3290000000e-04 -3.3162000000e-03  2.0880000000e-03 -1.5553000000e-03  3.7542000000e-03  5.3657000000e-03 -1.7509000000e-03 -2.2143000000e-03  1.3778000000e-03  2.4836000000e-03 -6.2490000000e-04 -4.7983000000e-03
-
-JOB 24
-COORDS  2.2712900000e-01 -7.7790000000e-01 -1.3202130000e+00  2.3256400000e-01 -5.7835900000e-01 -3.8405800000e-01  7.9434600000e-01 -1.5441990000e+00 -1.4055510000e+00 -2.6511500000e-01  8.1129700000e-01  1.2031790000e+00  4.2461100000e-01  1.1747590000e+00  1.7585200000e+00 -8.9607300000e-01  4.3710000000e-01  1.8180780000e+00
-ENERGY -1.526597182425e+02
-FORCES  6.8870000000e-04  1.7438000000e-03  6.2769000000e-03  1.6709000000e-03 -6.7134000000e-03 -7.6431000000e-03 -1.8746000000e-03  2.9837000000e-03  1.2828000000e-03 -8.7740000000e-04  3.1245000000e-03  5.4648000000e-03 -3.4445000000e-03 -2.3361000000e-03 -2.3421000000e-03  3.8369000000e-03  1.1974000000e-03 -3.0392000000e-03
-
-JOB 25
-COORDS -1.1979210000e+00 -1.2190100000e-01  9.0126300000e-01 -1.7460870000e+00 -8.3017700000e-01  1.2390360000e+00 -4.5396900000e-01 -8.6608000000e-02  1.5025300000e+00  1.2412770000e+00  1.6822200000e-01 -9.1661200000e-01  1.1940340000e+00 -3.4581200000e-01 -1.7226950000e+00  3.5252300000e-01  5.0103500000e-01 -7.9177800000e-01
-ENERGY -1.526588285445e+02
-FORCES  1.9415000000e-03 -4.2117000000e-03  3.9465000000e-03  2.5022000000e-03  2.7198000000e-03 -8.3760000000e-04 -4.5428000000e-03  6.1580000000e-04 -2.4355000000e-03 -7.2449000000e-03 -1.8191000000e-03 -1.4659000000e-03  3.7810000000e-04  1.7942000000e-03  2.6141000000e-03  6.9658000000e-03  9.0100000000e-04 -1.8217000000e-03
-
-JOB 26
-COORDS -8.7901400000e-01 -2.1692600000e-01 -1.3268310000e+00 -1.0365910000e+00 -9.8767000000e-02 -3.9011400000e-01 -3.4562000000e-02 -6.6520800000e-01 -1.3734640000e+00  8.0609500000e-01  1.8034500000e-01  1.2419850000e+00  1.7200650000e+00  4.4125600000e-01  1.3551920000e+00  3.0171200000e-01  9.1666200000e-01  1.5879150000e+00
-ENERGY -1.526570542094e+02
-FORCES  6.8174000000e-03 -1.4463000000e-03  7.4860000000e-03 -3.6358000000e-03  1.2494000000e-03 -3.1100000000e-03 -3.1176000000e-03  5.5100000000e-04 -3.0486000000e-03  2.8018000000e-03  4.8794000000e-03  1.3278000000e-03 -3.9662000000e-03 -1.1243000000e-03 -3.6000000000e-04  1.1005000000e-03 -4.1091000000e-03 -2.2952000000e-03
-
-JOB 27
-COORDS  6.5939000000e-02 -6.9948900000e-01  1.4478150000e+00  1.6377700000e-01 -1.2361080000e+00  6.6124000000e-01 -6.1954900000e-01 -6.9680000000e-02  1.2249270000e+00 -6.4081000000e-02  6.5742700000e-01 -1.3543470000e+00  7.8416200000e-01  1.0931670000e+00 -1.2716050000e+00 -3.6469100000e-01  8.8261600000e-01 -2.2347760000e+00
-ENERGY -1.526586803548e+02
-FORCES -3.4300000000e-03  1.8606000000e-03 -8.1474000000e-03  8.4200000000e-04 -3.0300000000e-04  4.7252000000e-03  1.9327000000e-03 -2.2825000000e-03  4.0852000000e-03  3.2308000000e-03  3.5232000000e-03 -3.2970000000e-03 -4.1304000000e-03 -1.8073000000e-03 -1.3908000000e-03  1.5550000000e-03 -9.9110000000e-04  4.0249000000e-03
-
-JOB 28
-COORDS  1.3166150000e+00 -8.7447800000e-01  1.8970700000e-01  1.0345460000e+00 -1.7116720000e+00  5.5818400000e-01  6.5383500000e-01 -2.4844100000e-01  4.8131300000e-01 -1.2214460000e+00  8.4609500000e-01 -2.3920700000e-01 -1.1478010000e+00  1.6541360000e+00  2.6861100000e-01 -2.1502740000e+00  7.8701600000e-01 -4.6285800000e-01
-ENERGY -1.526574675519e+02
-FORCES -7.8728000000e-03  9.5160000000e-04  4.9630000000e-04  1.2618000000e-03  2.5702000000e-03 -1.2352000000e-03  7.1085000000e-03 -2.1054000000e-03  2.6323000000e-03 -5.2027000000e-03  2.5722000000e-03 -1.5210000000e-03  7.4250000000e-04 -5.0542000000e-03 -1.5109000000e-03  3.9626000000e-03  1.0657000000e-03  1.1386000000e-03
-
-JOB 29
-COORDS  1.1097960000e+00  4.5327900000e-01 -9.9601000000e-01  3.8123100000e-01  9.4855200000e-01 -6.2167200000e-01  1.1094370000e+00  6.8994600000e-01 -1.9234910000e+00 -1.0926520000e+00 -4.7411500000e-01  9.7694300000e-01 -1.1875470000e+00 -9.7865000000e-02  1.8519650000e+00 -5.4925200000e-01 -1.2512280000e+00  1.1074990000e+00
-ENERGY -1.526576510082e+02
-FORCES -5.5564000000e-03  2.0780000000e-03 -9.8200000000e-05  5.7555000000e-03  1.1723000000e-03 -3.6550000000e-03 -4.3760000000e-04 -9.9500000000e-04  3.6244000000e-03  3.1168000000e-03 -4.3595000000e-03  3.3522000000e-03  8.7620000000e-04 -8.0620000000e-04 -4.2016000000e-03 -3.7544000000e-03  2.9105000000e-03  9.7820000000e-04
-
-JOB 30
-COORDS  1.4561840000e+00 -6.5030000000e-01  5.9123000000e-02  1.9675730000e+00 -5.1900900000e-01  8.5754300000e-01  5.9400900000e-01 -2.8856800000e-01  2.6415200000e-01 -1.4402020000e+00  5.5378300000e-01 -1.1345100000e-01 -1.3593150000e+00  1.1136270000e+00 -8.8563200000e-01 -1.4456450000e+00  1.1627860000e+00  6.2500500000e-01
-ENERGY -1.526595723164e+02
-FORCES -5.5202000000e-03  1.8280000000e-03  2.4557000000e-03 -2.6229000000e-03  2.1460000000e-04 -2.5974000000e-03  9.8680000000e-03 -1.8243000000e-03  1.7897000000e-03 -3.3119000000e-03  6.0202000000e-03 -2.8129000000e-03 -5.8250000000e-04 -2.3737000000e-03  4.4348000000e-03  2.1695000000e-03 -3.8648000000e-03 -3.2699000000e-03
-
-JOB 31
-COORDS  4.4403500000e-01 -2.5713500000e-01 -1.5152220000e+00  7.7951400000e-01 -5.9356200000e-01 -6.8425700000e-01 -1.8785700000e-01 -9.1590100000e-01 -1.8032680000e+00 -4.3448900000e-01  2.5371600000e-01  1.5180290000e+00 -3.0060700000e-01  1.1310210000e+00  1.8766970000e+00 -4.4741500000e-01  3.8163100000e-01  5.6950300000e-01
-ENERGY -1.526586335442e+02
-FORCES  1.4693000000e-03 -6.7808000000e-03 -3.8530000000e-04 -4.9635000000e-03  4.6608000000e-03 -3.5199000000e-03  2.5984000000e-03  3.6350000000e-03  1.9008000000e-03 -6.9700000000e-04  5.7241000000e-03 -3.3411000000e-03 -5.8560000000e-04 -3.4932000000e-03 -1.4824000000e-03  2.1785000000e-03 -3.7460000000e-03  6.8279000000e-03
-
-JOB 32
-COORDS -1.2119700000e-01 -1.3047660000e+00 -1.0351020000e+00 -9.3529900000e-01 -8.3218400000e-01 -1.2087000000e+00  4.2482700000e-01 -6.7658100000e-01 -5.6237200000e-01  1.1794000000e-01  1.1904880000e+00  1.0471720000e+00  9.9367100000e-01  1.5733040000e+00  9.9446200000e-01 -4.3222000000e-01  1.7775680000e+00  5.2862300000e-01
-ENERGY -1.526570666534e+02
-FORCES -1.5243000000e-03  6.4820000000e-03  5.2272000000e-03  2.3100000000e-03 -1.6868000000e-03 -6.9950000000e-04  4.0130000000e-04 -4.3583000000e-03 -5.6677000000e-03  3.2560000000e-04  6.4275000000e-03  5.7460000000e-04 -4.1632000000e-03 -3.0311000000e-03 -8.9370000000e-04  2.6507000000e-03 -3.8332000000e-03  1.4591000000e-03
-
-JOB 33
-COORDS  1.6637300000e-01 -6.7578100000e-01  1.4536870000e+00  6.0381000000e-02 -8.9830400000e-01  5.2876400000e-01 -7.8846000000e-02 -1.4736990000e+00  1.9221170000e+00 -1.7203000000e-01  6.6754300000e-01 -1.4256110000e+00  7.2923300000e-01  9.3246200000e-01 -1.2418320000e+00 -6.0607300000e-01  1.4727100000e+00 -1.7076500000e+00
-ENERGY -1.526579428093e+02
-FORCES -2.8244000000e-03 -2.8270000000e-03 -3.7344000000e-03  3.2372000000e-03 -1.5974000000e-03  6.4312000000e-03  6.0990000000e-04  3.0667000000e-03 -2.0881000000e-03  7.1390000000e-04  6.5415000000e-03  1.5560000000e-04 -4.0860000000e-03 -2.2307000000e-03 -1.1568000000e-03  2.3494000000e-03 -2.9531000000e-03  3.9250000000e-04
-
-JOB 34
-COORDS -1.5505830000e+00  2.3456400000e-01 -9.1630000000e-03 -2.1293550000e+00 -2.9850900000e-01 -5.5422100000e-01 -1.8194800000e+00  1.1363930000e+00 -1.8418100000e-01  1.6438960000e+00 -2.1278200000e-01  5.6622000000e-02  1.3164030000e+00 -8.2873000000e-01  7.1205200000e-01  1.1070680000e+00 -3.7895600000e-01 -7.1825500000e-01
-ENERGY -1.526558286334e+02
-FORCES -3.8726000000e-03  3.7270000000e-03 -1.5746000000e-03  3.8388000000e-03  1.8566000000e-03  2.0344000000e-03  5.1780000000e-04 -4.3002000000e-03  3.7240000000e-04 -8.4711000000e-03 -1.9818000000e-03  3.4140000000e-04  3.2687000000e-03  1.1247000000e-03 -2.0125000000e-03  4.7184000000e-03 -4.2640000000e-04  8.3890000000e-04
-
-JOB 35
-COORDS -1.0561290000e+00 -8.1225000000e-01 -8.4677300000e-01 -1.5418800000e+00 -6.9988400000e-01 -1.6638730000e+00 -3.2732600000e-01 -1.3880740000e+00 -1.0780830000e+00  1.0110200000e+00  8.1103800000e-01  9.6603600000e-01  6.4340900000e-01  1.2811820000e+00  2.1766600000e-01  1.9513980000e+00  7.7818000000e-01  7.9042000000e-01
-ENERGY -1.526542305606e+02
-FORCES  1.6078000000e-03 -4.0420000000e-03 -2.6643000000e-03  2.6359000000e-03  5.4510000000e-04  3.8237000000e-03 -3.4515000000e-03  2.4449000000e-03 -3.1380000000e-04 -6.2230000000e-04  1.6553000000e-03 -4.6453000000e-03  3.7937000000e-03  1.6290000000e-04  3.5731000000e-03 -3.9637000000e-03 -7.6630000000e-04  2.2660000000e-04
-
-JOB 36
-COORDS  7.1455400000e-01 -1.3908850000e+00  9.6771000000e-02  8.1641500000e-01 -2.0045170000e+00  8.2431000000e-01  5.9808600000e-01 -1.9481750000e+00 -6.7270500000e-01 -7.3876900000e-01  1.5048710000e+00 -1.4129200000e-01 -1.2115760000e+00  1.1506850000e+00  6.1186000000e-01  1.1261700000e-01  1.0680700000e+00 -1.1723800000e-01
-ENERGY -1.526585029112e+02
-FORCES -3.0530000000e-04 -5.7961000000e-03 -1.0040000000e-03 -8.7880000000e-04  2.5748000000e-03 -3.2087000000e-03  9.5970000000e-04  1.8840000000e-03  3.8027000000e-03  2.9582000000e-03 -7.1000000000e-03  3.4133000000e-03  4.5020000000e-04  2.5650000000e-03 -2.0797000000e-03 -3.1840000000e-03  5.8723000000e-03 -9.2360000000e-04
-
-JOB 37
-COORDS  1.0239880000e+00  9.5966100000e-01  7.6587100000e-01  9.3680700000e-01  1.8708000000e+00  1.0459720000e+00  6.6299000000e-01  4.5000700000e-01  1.4912420000e+00 -1.0055030000e+00 -9.4641400000e-01 -8.8811500000e-01 -1.8064400000e-01 -1.0525290000e+00 -4.1421800000e-01 -1.6502370000e+00 -1.4112080000e+00 -3.5471500000e-01
-ENERGY -1.526539884217e+02
-FORCES -3.2408000000e-03  4.0539000000e-03  3.2359000000e-03  7.7440000000e-04 -3.8339000000e-03 -4.6310000000e-04  1.5552000000e-03  2.0970000000e-04 -4.1275000000e-03  2.8705000000e-03 -1.9250000000e-04  3.4697000000e-03 -4.7991000000e-03 -2.6665000000e-03 -7.2640000000e-04  2.8398000000e-03  2.4293000000e-03 -1.3886000000e-03
-
-JOB 38
-COORDS  3.5513500000e-01 -1.3676040000e+00 -7.3141000000e-01 -1.5093000000e-02 -1.8955460000e+00 -1.4388280000e+00  2.5591200000e-01 -1.9106850000e+00  5.0542000000e-02 -3.6558800000e-01  1.4797970000e+00  7.1566000000e-01 -4.7097200000e-01  7.0463400000e-01  1.2672470000e+00  5.0315200000e-01  1.3808570000e+00  3.2613200000e-01
-ENERGY -1.526549240728e+02
-FORCES -3.0447000000e-03 -4.4973000000e-03 -1.2722000000e-03  1.7984000000e-03  1.8407000000e-03  3.2001000000e-03  3.3160000000e-04  3.5220000000e-03 -2.4249000000e-03  3.6578000000e-03 -6.7494000000e-03 -2.5563000000e-03 -6.0400000000e-05  2.9922000000e-03  2.7100000000e-05 -2.6826000000e-03  2.8917000000e-03  3.0263000000e-03
-
-JOB 39
-COORDS  8.7148200000e-01 -4.6295000000e-01  1.4040330000e+00  9.3037500000e-01 -2.4101500000e-01  4.7478200000e-01  1.4570400000e-01 -1.0848040000e+00  1.4567220000e+00 -7.9291400000e-01  4.4373500000e-01 -1.3912290000e+00 -6.4902000000e-01  1.3520810000e+00 -1.1258370000e+00 -1.6039770000e+00  1.9053700000e-01 -9.5043500000e-01
-ENERGY -1.526578015898e+02
-FORCES -3.2470000000e-03 -2.1027000000e-03 -6.2986000000e-03  2.0187000000e-03 -8.5500000000e-05  6.4179000000e-03  2.0945000000e-03  2.3415000000e-03  8.0340000000e-04 -5.0694000000e-03  4.1730000000e-03  1.6995000000e-03  1.6120000000e-04 -4.7928000000e-03 -1.0223000000e-03  4.0420000000e-03  4.6650000000e-04 -1.5999000000e-03
-
-JOB 40
-COORDS  6.8751300000e-01 -5.9485100000e-01 -1.4434750000e+00 -1.5662800000e-01 -6.0323500000e-01 -9.9226700000e-01  6.9162200000e-01 -1.4007960000e+00 -1.9598740000e+00 -5.7764200000e-01  6.0841800000e-01  1.4457630000e+00 -7.8862600000e-01  1.4201930000e+00  1.9069990000e+00 -1.4017740000e+00  3.4323900000e-01  1.0374510000e+00
-ENERGY -1.526528866753e+02
-FORCES -2.9838000000e-03 -2.6432000000e-03  1.6127000000e-03  1.2546000000e-03 -8.8800000000e-04 -3.5353000000e-03 -6.1700000000e-05  3.4305000000e-03  2.3305000000e-03 -3.7316000000e-03  4.0463000000e-03  1.6426000000e-03  7.9030000000e-04 -3.7637000000e-03 -1.6212000000e-03  4.7324000000e-03 -1.8190000000e-04 -4.2940000000e-04
-
-JOB 41
-COORDS -3.3056500000e-01  1.0277540000e+00  1.3928250000e+00 -1.0537810000e+00  1.4329350000e+00  9.1426600000e-01  2.5980900000e-01  7.0850700000e-01  7.1034900000e-01  3.2035100000e-01 -1.0942930000e+00 -1.3172090000e+00  1.1629810000e+00 -6.6951500000e-01 -1.1566790000e+00 -2.3430400000e-01 -4.0021700000e-01 -1.6733670000e+00
-ENERGY -1.526529788708e+02
-FORCES -1.3171000000e-03 -1.9982000000e-03 -4.9454000000e-03  3.1438000000e-03 -1.3490000000e-03  1.5143000000e-03 -6.2420000000e-04  3.7283000000e-03  2.1565000000e-03  1.1783000000e-03  2.4080000000e-03 -3.0223000000e-03 -5.1387000000e-03 -5.1370000000e-04  1.2533000000e-03  2.7579000000e-03 -2.2753000000e-03  3.0435000000e-03
-
-JOB 42
-COORDS -2.4504500000e-01 -1.5906420000e+00 -4.0142700000e-01  2.3262500000e-01 -1.5213870000e+00 -1.2280260000e+00 -5.4801300000e-01 -2.4982350000e+00 -3.7464000000e-01  2.2166500000e-01  1.6789970000e+00  4.9194000000e-01  8.5595600000e-01  9.6270200000e-01  5.2070800000e-01 -1.2748300000e-01  1.6547400000e+00 -3.9898000000e-01
-ENERGY -1.526550627276e+02
-FORCES -6.3900000000e-04 -5.2492000000e-03 -2.7953000000e-03 -1.6941000000e-03  1.1458000000e-03  4.0705000000e-03  1.3984000000e-03  3.9661000000e-03 -4.2960000000e-04 -4.9060000000e-04 -6.1721000000e-03 -2.9891000000e-03 -5.9060000000e-04  4.9195000000e-03 -4.7850000000e-04  2.0158000000e-03  1.3900000000e-03  2.6220000000e-03
-
-JOB 43
-COORDS -9.4928700000e-01 -1.4558850000e+00 -3.7960000000e-02 -1.6502650000e+00 -1.4590410000e+00  6.1384600000e-01 -9.8119700000e-01 -5.7901300000e-01 -4.2046300000e-01  9.4565600000e-01  1.4114580000e+00 -2.7299000000e-02  1.6314030000e+00  2.0391730000e+00  2.0064300000e-01  1.0689390000e+00  6.8776900000e-01  5.8695400000e-01
-ENERGY -1.526581158825e+02
-FORCES -4.2177000000e-03  3.6965000000e-03 -7.3710000000e-04  3.1851000000e-03  5.2000000000e-05 -2.3291000000e-03 -1.1140000000e-04 -5.5687000000e-03  3.0231000000e-03  4.6729000000e-03 -1.9100000000e-04  3.2949000000e-03 -2.5692000000e-03 -2.8172000000e-03 -4.6450000000e-04 -9.5970000000e-04  4.8284000000e-03 -2.7873000000e-03
-
-JOB 44
-COORDS  4.5437100000e-01  1.1899150000e+00  1.2013380000e+00  2.1238200000e-01  3.6716700000e-01  7.7618100000e-01  8.8102200000e-01  9.2290000000e-01  2.0155260000e+00 -4.5760700000e-01 -1.0656310000e+00 -1.1820870000e+00  7.7549000000e-02 -1.8591990000e+00 -1.1915380000e+00 -1.1298130000e+00 -1.2215720000e+00 -1.8454520000e+00
-ENERGY -1.526582072371e+02
-FORCES -6.0460000000e-04 -5.0599000000e-03 -7.8970000000e-04  3.1324000000e-03  4.7855000000e-03  6.0019000000e-03 -1.4611000000e-03  6.3470000000e-04 -3.1693000000e-03 -2.0107000000e-03 -3.6916000000e-03 -5.2782000000e-03 -2.3664000000e-03  3.6266000000e-03  7.9810000000e-04  3.3105000000e-03 -2.9530000000e-04  2.4373000000e-03
-
-JOB 45
-COORDS  7.6314200000e-01 -1.2787370000e+00 -8.2846500000e-01  1.3421370000e+00 -7.6464300000e-01 -1.3912290000e+00  5.5704500000e-01 -2.0582160000e+00 -1.3443810000e+00 -8.2373400000e-01  1.3454080000e+00  8.9035200000e-01 -4.9831200000e-01  8.6370900000e-01  1.2989300000e-01 -4.6975500000e-01  8.7243800000e-01  1.6434990000e+00
-ENERGY -1.526582644303e+02
-FORCES  2.2037000000e-03 -3.8459000000e-03 -5.1850000000e-03 -3.5366000000e-03 -1.5502000000e-03  2.8595000000e-03  1.5260000000e-03  3.4178000000e-03  2.0144000000e-03  3.2082000000e-03 -6.5441000000e-03 -6.7270000000e-04 -1.7881000000e-03  5.7489000000e-03  2.7730000000e-03 -1.6132000000e-03  2.7736000000e-03 -1.7893000000e-03
-
-JOB 46
-COORDS  1.6674490000e+00  3.1464500000e-01  4.0315900000e-01  2.4767580000e+00  5.1400900000e-01 -6.7483000000e-02  1.1352960000e+00  1.1049230000e+00  3.1092900000e-01 -1.7029560000e+00 -3.9634200000e-01 -4.2801000000e-01 -1.1165610000e+00  3.3141900000e-01 -2.2128400000e-01 -2.0165080000e+00 -7.0120500000e-01  4.2344500000e-01
-ENERGY -1.526527675607e+02
-FORCES  3.0458000000e-03  3.6868000000e-03 -3.0955000000e-03 -3.4180000000e-03 -8.0250000000e-04  2.3825000000e-03 -5.4760000000e-04 -4.3575000000e-03  2.2890000000e-04  3.0620000000e-03  1.8100000000e-04  4.9770000000e-03 -2.6850000000e-03 -2.0580000000e-04 -8.6630000000e-04  5.4290000000e-04  1.4980000000e-03 -3.6265000000e-03
-
-JOB 47
-COORDS -1.3338440000e+00  8.3628100000e-01 -7.6883600000e-01 -2.1622500000e+00  5.1062600000e-01 -4.1680700000e-01 -1.1000010000e+00  1.5663870000e+00 -1.9569200000e-01  1.3685610000e+00 -8.1076100000e-01  7.6918900000e-01  8.4058400000e-01 -8.4155600000e-01 -2.8636000000e-02  1.9501930000e+00 -1.5679570000e+00  7.0143700000e-01
-ENERGY -1.526580477687e+02
-FORCES -3.4140000000e-03  3.2442000000e-03  4.4148000000e-03  3.4907000000e-03  1.2568000000e-03 -1.6845000000e-03 -1.5875000000e-03 -3.0406000000e-03 -2.9629000000e-03 -8.0250000000e-04 -2.3553000000e-03 -4.4062000000e-03  4.7895000000e-03 -1.9121000000e-03  4.5416000000e-03 -2.4763000000e-03  2.8070000000e-03  9.7100000000e-05
-
-JOB 48
-COORDS -7.7085000000e-01 -4.5918400000e-01 -1.6603150000e+00 -3.8116000000e-02  1.1469800000e-01 -1.8839050000e+00 -4.5014000000e-01 -9.8288200000e-01 -9.2606800000e-01  6.8943200000e-01  5.0177800000e-01  1.5935290000e+00  9.4266500000e-01 -3.9715200000e-01  1.3836990000e+00  8.2529100000e-01  5.7508800000e-01  2.5381980000e+00
-ENERGY -1.526535157696e+02
-FORCES  4.0570000000e-03  2.0291000000e-03  3.3483000000e-03 -2.8559000000e-03 -3.1429000000e-03 -5.5500000000e-05 -4.1940000000e-04  6.4500000000e-04 -2.9237000000e-03  1.5469000000e-03 -2.6897000000e-03  4.7043000000e-03 -1.8192000000e-03  3.4847000000e-03 -9.1470000000e-04 -5.0940000000e-04 -3.2630000000e-04 -4.1586000000e-03
-
-JOB 49
-COORDS  8.3035600000e-01 -8.9922100000e-01 -1.3301740000e+00  1.3085580000e+00 -1.6752840000e+00 -1.6222050000e+00  1.4682760000e+00 -4.0321700000e-01 -8.1707600000e-01 -8.7388600000e-01  8.5856200000e-01  1.3365090000e+00 -1.4131720000e+00  1.0849910000e+00  5.7879400000e-01 -6.7286700000e-01  1.6991890000e+00  1.7478120000e+00
-ENERGY -1.526549858919e+02
-FORCES  4.3423000000e-03 -1.1016000000e-03  2.4961000000e-03 -1.8834000000e-03  3.1208000000e-03  1.1645000000e-03 -1.5216000000e-03 -2.0701000000e-03 -3.6380000000e-03 -2.6593000000e-03  3.5964000000e-03 -2.2363000000e-03  1.9417000000e-03  7.7200000000e-05  4.0687000000e-03 -2.1960000000e-04 -3.6226000000e-03 -1.8549000000e-03
-
-JOB 50
-COORDS  4.7130600000e-01  8.7776600000e-01 -1.5809680000e+00  5.0219600000e-01  3.8253000000e-01 -2.3995140000e+00 -4.8641000000e-02  3.3283600000e-01 -9.9025700000e-01 -3.8415600000e-01 -8.0542600000e-01  1.5778890000e+00 -8.2704700000e-01 -1.6538980000e+00  1.5911350000e+00 -1.0377150000e+00 -1.8839700000e-01  1.9070800000e+00
-ENERGY -1.526568403199e+02
-FORCES -1.3846000000e-03 -5.0961000000e-03  1.0287000000e-03 -2.4370000000e-04  1.8178000000e-03  3.0283000000e-03  1.0704000000e-03  3.9034000000e-03 -5.6843000000e-03 -4.0854000000e-03 -1.6599000000e-03  4.7104000000e-03  1.8693000000e-03  3.9789000000e-03 -6.6210000000e-04  2.7739000000e-03 -2.9440000000e-03 -2.4211000000e-03
-
-JOB 51
-COORDS  1.4862430000e+00 -7.5501600000e-01 -8.7355200000e-01  2.3753890000e+00 -9.3433100000e-01 -5.6777800000e-01  1.1495680000e+00 -1.0026700000e-01 -2.6184500000e-01 -1.5253600000e+00  7.3591800000e-01  7.5872100000e-01 -2.1556910000e+00  4.5672200000e-01  1.4227710000e+00 -7.1148800000e-01  8.7381300000e-01  1.2433120000e+00
-ENERGY -1.526528396209e+02
-FORCES  1.2469000000e-03  2.0856000000e-03  3.0576000000e-03 -3.9518000000e-03  7.6180000000e-04 -1.0487000000e-03  2.7769000000e-03 -2.1587000000e-03 -9.5220000000e-04 -1.1086000000e-03 -1.0791000000e-03  5.4412000000e-03  2.6134000000e-03  1.6094000000e-03 -2.8128000000e-03 -1.5767000000e-03 -1.2191000000e-03 -3.6850000000e-03
-
-JOB 52
-COORDS -1.1517200000e+00  7.9023400000e-01  1.2988390000e+00 -3.3946500000e-01  8.7196000000e-01  1.7986340000e+00 -1.2240710000e+00 -1.4531700000e-01  1.1097840000e+00  1.1592470000e+00 -7.0280900000e-01 -1.3318220000e+00  7.8124700000e-01 -8.4821000000e-01 -4.6452400000e-01  6.9370100000e-01 -1.3145520000e+00 -1.9021450000e+00
-ENERGY -1.526524553822e+02
-FORCES  2.2918000000e-03 -2.1025000000e-03  1.8926000000e-03 -3.5612000000e-03 -1.1766000000e-03 -2.5736000000e-03  1.8112000000e-03  3.4565000000e-03 -1.1670000000e-04 -3.9283000000e-03 -2.1406000000e-03  6.0380000000e-04  1.4481000000e-03 -4.7350000000e-04 -2.4934000000e-03  1.9383000000e-03  2.4366000000e-03  2.6873000000e-03
-
-JOB 53
-COORDS  1.1714050000e+00  1.5170270000e+00  2.5828000000e-01  5.6166700000e-01  1.9409260000e+00  8.6223500000e-01  6.5980600000e-01  1.3736220000e+00 -5.3791900000e-01 -1.0855710000e+00 -1.4771670000e+00 -2.7641100000e-01 -6.0352900000e-01 -2.0878710000e+00  2.8118000000e-01 -1.9637740000e+00 -1.8525440000e+00 -3.4030900000e-01
-ENERGY -1.526558809279e+02
-FORCES -5.8975000000e-03 -3.7460000000e-04 -1.2653000000e-03  2.7515000000e-03 -1.0340000000e-03 -1.9773000000e-03  3.1435000000e-03  2.3854000000e-03  2.8715000000e-03 -8.8300000000e-04 -4.7948000000e-03  2.4894000000e-03 -2.7335000000e-03  2.0266000000e-03 -2.4675000000e-03  3.6189000000e-03  1.7915000000e-03  3.4930000000e-04
-
-JOB 54
-COORDS -1.8460320000e+00  5.0871600000e-01  5.0584000000e-02 -2.4338420000e+00  1.0909120000e+00 -4.3083000000e-01 -2.1329010000e+00 -3.7276900000e-01 -1.8799700000e-01  1.9257970000e+00 -4.5043900000e-01  3.6638000000e-02  1.6852850000e+00 -1.3723930000e+00  1.2821200000e-01  1.6713130000e+00 -2.2373300000e-01 -8.5783100000e-01
-ENERGY -1.526532157548e+02
-FORCES -4.0080000000e-03 -9.3410000000e-04 -2.1878000000e-03  2.7422000000e-03 -2.4852000000e-03  1.8996000000e-03  1.6629000000e-03  3.4605000000e-03  6.8540000000e-04 -3.6347000000e-03 -1.7914000000e-03 -2.9258000000e-03  1.1604000000e-03  3.2597000000e-03 -4.9100000000e-04  2.0772000000e-03 -1.5094000000e-03  3.0195000000e-03
-
-JOB 55
-COORDS  1.7751000000e-02 -1.3400800000e-01  2.0771460000e+00  6.3869200000e-01 -1.7266200000e-01  1.3497050000e+00 -5.9292200000e-01 -8.5185800000e-01  1.9098090000e+00  6.1260000000e-03  1.9018400000e-01 -2.0908110000e+00 -8.4797800000e-01 -1.9002200000e-01 -1.8854260000e+00  4.2734800000e-01  3.0805500000e-01 -1.2393940000e+00
-ENERGY -1.526527328404e+02
-FORCES  4.4130000000e-04 -3.9068000000e-03 -1.9487000000e-03 -3.4845000000e-03  9.9640000000e-04  1.3243000000e-03  2.6093000000e-03  3.5272000000e-03  1.3150000000e-04 -2.5573000000e-03  2.9000000000e-05  3.8265000000e-03  3.9865000000e-03  1.1217000000e-03 -7.2710000000e-04 -9.9530000000e-04 -1.7675000000e-03 -2.6065000000e-03
-
-JOB 56
-COORDS  1.6732100000e+00 -1.3465900000e-01 -1.1462390000e+00  1.8480220000e+00 -9.7149100000e-01 -1.5768030000e+00  1.0639630000e+00  3.1417400000e-01 -1.7324130000e+00 -1.6038850000e+00  1.9228800000e-01  1.1576560000e+00 -2.2239360000e+00 -5.1011800000e-01  9.6170900000e-01 -1.6650300000e+00  3.0881500000e-01  2.1057670000e+00
-ENERGY -1.526533909289e+02
-FORCES -2.9794000000e-03 -1.1202000000e-03 -3.3826000000e-03 -6.2850000000e-04  3.2107000000e-03  1.7431000000e-03  3.1859000000e-03 -1.9599000000e-03  1.4797000000e-03 -1.8992000000e-03 -2.6236000000e-03  3.5567000000e-03  2.4090000000e-03  2.9341000000e-03  4.7560000000e-04 -8.7800000000e-05 -4.4120000000e-04 -3.8725000000e-03
-
-JOB 57
-COORDS  3.9665700000e-01  1.6812950000e+00 -1.1066180000e+00 -8.2541000000e-02  9.4058600000e-01 -1.4780350000e+00 -1.8584900000e-01  2.4306060000e+00 -1.2309260000e+00 -3.0485600000e-01 -1.6409790000e+00  1.1651540000e+00 -4.4569800000e-01 -1.6987680000e+00  2.2013700000e-01 -6.9649200000e-01 -2.4410370000e+00  1.5155270000e+00
-ENERGY -1.526525912736e+02
-FORCES -4.5627000000e-03  3.3630000000e-04 -1.2405000000e-03  1.9615000000e-03  2.1820000000e-03  1.2911000000e-03  2.5332000000e-03 -3.0454000000e-03  3.0670000000e-04 -1.7339000000e-03 -3.6255000000e-03 -2.2216000000e-03  1.5550000000e-04  6.4210000000e-04  3.2598000000e-03  1.6463000000e-03  3.5106000000e-03 -1.3956000000e-03
-
-JOB 58
-COORDS  5.1102100000e-01  1.8642990000e+00  8.4514300000e-01 -3.2216600000e-01  2.2906650000e+00  6.4453700000e-01  3.3828300000e-01  9.3071200000e-01  7.2345400000e-01 -4.1952800000e-01 -1.8374220000e+00 -7.6878100000e-01 -7.9573700000e-01 -1.0506800000e+00 -1.1634160000e+00 -6.0914800000e-01 -2.5348710000e+00 -1.3963490000e+00
-ENERGY -1.526548406266e+02
-FORCES -3.4849000000e-03 -2.6829000000e-03 -2.9130000000e-04  3.3018000000e-03 -1.9494000000e-03  3.0100000000e-04 -2.1000000000e-06  5.3791000000e-03 -2.5970000000e-04 -2.2244000000e-03 -1.2897000000e-03 -5.2921000000e-03  1.8230000000e-03 -2.4768000000e-03  2.9947000000e-03  5.8670000000e-04  3.0197000000e-03  2.5474000000e-03
-
-JOB 59
-COORDS -4.7999800000e-01 -1.3091300000e+00  1.5626300000e+00 -1.3343650000e+00 -1.6921360000e+00  1.3636400000e+00  4.7658000000e-02 -1.4812170000e+00  7.8276100000e-01  4.3685600000e-01  1.3005820000e+00 -1.4890000000e+00  5.3018600000e-01  1.9820700000e+00 -2.1546540000e+00  1.2827180000e+00  1.2850380000e+00 -1.0412190000e+00
-ENERGY -1.526546854115e+02
-FORCES -1.9859000000e-03 -1.3826000000e-03 -5.0969000000e-03  3.3484000000e-03  1.0521000000e-03  1.2425000000e-03 -1.3054000000e-03  6.5600000000e-05  3.9424000000e-03  3.6766000000e-03  3.6937000000e-03 -5.5440000000e-04 -3.6960000000e-04 -2.8101000000e-03  2.7468000000e-03 -3.3641000000e-03 -6.1860000000e-04 -2.2804000000e-03
-
-JOB 60
-COORDS  3.0169800000e-01  1.9502870000e+00  6.1575800000e-01  3.7105900000e-01  2.3270930000e+00  1.4929340000e+00 -6.3980000000e-01  1.8708300000e+00  4.6245600000e-01 -2.3470900000e-01 -2.0219410000e+00 -6.3544600000e-01  2.1746400000e-01 -1.1839190000e+00 -7.3286300000e-01 -1.1196330000e+00 -1.8563760000e+00 -9.6061000000e-01
-ENERGY -1.526553499277e+02
-FORCES -3.2731000000e-03  2.1164000000e-03  4.2432000000e-03 -4.9230000000e-04 -1.2660000000e-03 -3.7959000000e-03  4.0493000000e-03 -3.2440000000e-04 -2.5300000000e-05 -7.5610000000e-04  4.5242000000e-03 -1.5445000000e-03 -2.7832000000e-03 -4.5935000000e-03 -3.5780000000e-04  3.2553000000e-03 -4.5670000000e-04  1.4804000000e-03
-
-JOB 61
-COORDS -1.4735180000e+00  1.7198800000e+00 -6.2483000000e-01 -7.1324400000e-01  2.1114160000e+00 -1.0548480000e+00 -1.2609320000e+00  7.8865900000e-01 -5.6266100000e-01  1.4676710000e+00 -1.6563570000e+00  6.0681500000e-01  1.3882480000e+00 -1.7046240000e+00  1.5594920000e+00  7.2705800000e-01 -2.1659520000e+00  2.7812600000e-01
-ENERGY -1.526548909402e+02
-FORCES  4.8828000000e-03 -2.2359000000e-03 -1.3608000000e-03 -3.4472000000e-03 -1.2346000000e-03  1.5162000000e-03 -1.8636000000e-03  3.4766000000e-03 -3.5780000000e-04 -2.4626000000e-03 -3.1324000000e-03  3.3523000000e-03  2.2740000000e-04  1.5850000000e-04 -4.1903000000e-03  2.6632000000e-03  2.9677000000e-03  1.0405000000e-03
-
-JOB 62
-COORDS -1.6447110000e+00  8.7873000000e-01  1.3897920000e+00 -2.2229500000e+00  1.1789520000e+00  6.8855100000e-01 -2.2349910000e+00  6.6314900000e-01  2.1118210000e+00  1.7564300000e+00 -8.7994200000e-01 -1.3442340000e+00  1.1538170000e+00 -1.9016400000e-01 -1.6222560000e+00  1.5468350000e+00 -1.6237480000e+00 -1.9090830000e+00
-ENERGY -1.526536210434e+02
-FORCES -4.7469000000e-03  1.5220000000e-04  7.2440000000e-04  2.6582000000e-03 -1.3132000000e-03  2.4796000000e-03  2.3218000000e-03  9.8310000000e-04 -3.0451000000e-03 -3.8218000000e-03  6.9400000000e-05 -2.6238000000e-03  2.6804000000e-03 -2.8468000000e-03  2.9270000000e-04  9.0840000000e-04  2.9553000000e-03  2.1722000000e-03
-
-JOB 63
-COORDS -2.3021490000e+00 -3.1515800000e-01 -7.3263400000e-01 -2.0489140000e+00 -1.2305530000e+00 -8.5161000000e-01 -1.4723070000e+00  1.6035500000e-01 -6.9414300000e-01  2.1770700000e+00  3.2904000000e-01  7.3633000000e-01  2.7321320000e+00  6.0013900000e-01  5.1360000000e-03  2.7678870000e+00  3.0194100000e-01  1.4889470000e+00
-ENERGY -1.526554217995e+02
-FORCES  5.1913000000e-03 -1.6920000000e-03  4.3370000000e-04 -1.3995000000e-03  3.4334000000e-03  1.5480000000e-04 -4.1876000000e-03 -1.7606000000e-03 -1.0260000000e-03  5.2409000000e-03  1.0990000000e-03  8.4590000000e-04 -2.6041000000e-03 -1.1993000000e-03  2.8696000000e-03 -2.2410000000e-03  1.1960000000e-04 -3.2779000000e-03
-
-JOB 64
-COORDS -5.0744500000e-01  1.6617530000e+00 -1.6930490000e+00 -1.0123190000e+00  8.4941500000e-01 -1.7310150000e+00 -3.5036800000e-01  1.8897360000e+00 -2.6093360000e+00  5.1296000000e-01 -1.6817960000e+00  1.7092340000e+00  7.0531000000e-02 -1.4704230000e+00  2.5313110000e+00  1.1625270000e+00 -9.8715100000e-01  1.6007800000e+00
-ENERGY -1.526550848017e+02
-FORCES -1.6018000000e-03 -2.7215000000e-03 -3.9170000000e-03  2.0041000000e-03  3.7674000000e-03 -1.1870000000e-04 -6.1230000000e-04 -8.8240000000e-04  3.7069000000e-03  1.0579000000e-03  4.1216000000e-03  2.9146000000e-03  1.7227000000e-03 -1.0068000000e-03 -3.2931000000e-03 -2.5706000000e-03 -3.2783000000e-03  7.0740000000e-04
-
-JOB 65
-COORDS  2.5075710000e+00  1.2757300000e-01 -5.1163500000e-01  2.0969430000e+00  6.2241100000e-01 -1.2206850000e+00  1.8051990000e+00 -8.2020000000e-03  1.2434500000e-01 -2.4589140000e+00 -1.9037200000e-01  4.6026000000e-01 -2.7695390000e+00  7.0568500000e-01  5.8997300000e-01 -1.9263910000e+00 -3.7415800000e-01  1.2341290000e+00
-ENERGY -1.526542518180e+02
-FORCES -4.9502000000e-03  1.1681000000e-03 -8.2170000000e-04  2.0100000000e-03 -1.7675000000e-03  2.9811000000e-03  3.0714000000e-03  6.8650000000e-04 -1.9508000000e-03 -2.8410000000e-04  2.6645000000e-03  4.0600000000e-03  1.6465000000e-03 -3.7451000000e-03 -6.5090000000e-04 -1.4935000000e-03  9.9340000000e-04 -3.6177000000e-03
-
-JOB 66
-COORDS -1.1613300000e-01  1.0270350000e+00 -2.3114630000e+00  1.2010200000e-01  1.2961750000e+00 -1.4237760000e+00  5.4891300000e-01  1.4302330000e+00 -2.8694750000e+00  5.3053000000e-02 -1.0032870000e+00  2.2781000000e+00  2.6364900000e-01 -1.4512290000e+00  3.0973860000e+00  3.8700000000e-02 -1.6991240000e+00  1.6209580000e+00
-ENERGY -1.526550223351e+02
-FORCES  3.5422000000e-03  2.9865000000e-03  1.7625000000e-03 -8.5580000000e-04 -1.1155000000e-03 -4.2661000000e-03 -2.6585000000e-03 -1.6702000000e-03  2.1673000000e-03  5.0880000000e-04 -4.9844000000e-03  7.7300000000e-04 -8.1600000000e-04  1.7885000000e-03 -3.3461000000e-03  2.7940000000e-04  2.9951000000e-03  2.9093000000e-03
-
-JOB 67
-COORDS  5.0253800000e-01  3.7830300000e-01  2.5265330000e+00 -1.5451300000e-01  2.6372100000e-01  3.2131090000e+00  1.0625660000e+00 -3.9458800000e-01  2.5989090000e+00 -4.6860300000e-01 -3.5092700000e-01 -2.6217490000e+00 -6.7608800000e-01 -9.7225800000e-01 -1.9238030000e+00 -7.7112000000e-01  4.9393400000e-01 -2.2886940000e+00
-ENERGY -1.526546911903e+02
-FORCES  1.1770000000e-04 -3.4395000000e-03  3.6308000000e-03  2.5938000000e-03  4.0700000000e-04 -3.0437000000e-03 -2.5721000000e-03  3.1063000000e-03 -4.0900000000e-04 -1.8353000000e-03  1.3006000000e-03  4.7662000000e-03  7.2860000000e-04  2.0758000000e-03 -3.1148000000e-03  9.6730000000e-04 -3.4502000000e-03 -1.8295000000e-03
-
-JOB 68
-COORDS -3.3979400000e-01  2.5036130000e+00 -9.3166500000e-01 -4.4814400000e-01  1.6552670000e+00 -5.0178000000e-01  1.2656600000e-01  2.3035590000e+00 -1.7432790000e+00  3.5134700000e-01 -2.5080970000e+00  9.1189000000e-01  6.3741900000e-01 -2.1565660000e+00  1.7549910000e+00 -3.8003600000e-01 -1.9471590000e+00  6.5370600000e-01
-ENERGY -1.526537075868e+02
-FORCES  1.7953000000e-03 -4.1059000000e-03 -1.9521000000e-03  1.1920000000e-04  3.1411000000e-03 -1.3516000000e-03 -2.0684000000e-03  8.7180000000e-04  3.4328000000e-03 -1.8891000000e-03  2.9929000000e-03  2.9735000000e-03 -1.2607000000e-03 -1.2789000000e-03 -3.7636000000e-03  3.3038000000e-03 -1.6209000000e-03  6.6100000000e-04
-
-JOB 69
-COORDS -2.1047470000e+00  1.2225250000e+00  1.2909820000e+00 -3.0034110000e+00  1.3585600000e+00  9.9076800000e-01 -2.1709770000e+00  5.1738000000e-01  1.9348890000e+00  2.2028810000e+00 -1.1880470000e+00 -1.2602790000e+00  2.1897540000e+00 -6.4210600000e-01 -2.0464140000e+00  1.4381830000e+00 -1.7567120000e+00 -1.3502180000e+00
-ENERGY -1.526539746420e+02
-FORCES -3.7486000000e-03 -2.2319000000e-03  1.7451000000e-03  3.7256000000e-03 -6.1530000000e-04  1.0814000000e-03  9.4500000000e-05  2.8417000000e-03 -2.7549000000e-03 -3.5577000000e-03  4.5930000000e-04 -3.3691000000e-03  2.5820000000e-04 -2.4187000000e-03  2.9947000000e-03  3.2281000000e-03  1.9649000000e-03  3.0280000000e-04
-
-JOB 70
-COORDS  1.8268810000e+00  5.1556400000e-01 -2.3934870000e+00  2.4023750000e+00 -1.4011100000e-01 -1.9996250000e+00  2.1987230000e+00  1.3549760000e+00 -2.1226490000e+00 -1.8387860000e+00 -5.5346500000e-01  2.3071540000e+00 -1.9508950000e+00  3.6295200000e-01  2.5598250000e+00 -2.4314020000e+00 -1.0356290000e+00  2.8838300000e+00
-ENERGY -1.526538798291e+02
-FORCES  3.6058000000e-03  4.9560000000e-04  3.0775000000e-03 -2.1146000000e-03  2.7542000000e-03 -1.8196000000e-03 -1.4705000000e-03 -3.2935000000e-03 -1.1910000000e-03 -3.0150000000e-03  1.8384000000e-03  3.1304000000e-03  5.2570000000e-04 -3.7417000000e-03 -8.8010000000e-04  2.4686000000e-03  1.9470000000e-03 -2.3173000000e-03
-
-JOB 71
-COORDS -1.5708920000e+00 -1.9537230000e+00  2.0543070000e+00 -2.2629900000e+00 -1.3623530000e+00  1.7584780000e+00 -8.3776200000e-01 -1.7794230000e+00  1.4640770000e+00  1.5489790000e+00  1.8738580000e+00 -2.0529440000e+00  1.7248760000e+00  2.8146160000e+00 -2.0366480000e+00  1.6883950000e+00  1.5879700000e+00 -1.1501360000e+00
-ENERGY -1.526540953843e+02
-FORCES -4.6300000000e-05  2.9092000000e-03 -3.8421000000e-03  2.9048000000e-03 -2.3478000000e-03  1.3392000000e-03 -2.8061000000e-03 -5.2100000000e-04  2.5903000000e-03  1.6206000000e-03  2.9773000000e-03  3.5516000000e-03 -7.7700000000e-04 -3.9145000000e-03 -2.8400000000e-05 -8.9600000000e-04  8.9680000000e-04 -3.6107000000e-03
-
-JOB 72
-COORDS -2.8058910000e+00 -6.9738000000e-02 -1.5679940000e+00 -2.0002880000e+00  3.2904700000e-01 -1.8969410000e+00 -2.7816430000e+00 -9.6763200000e-01 -1.8987970000e+00  2.7472920000e+00  4.4439000000e-02  1.6513390000e+00  3.5570050000e+00  5.3826700000e-01  1.5219920000e+00  2.1480110000e+00  3.8838200000e-01  9.8892100000e-01
-ENERGY -1.526538565530e+02
-FORCES  3.1390000000e-03 -2.2411000000e-03 -2.7467000000e-03 -3.0681000000e-03 -1.5281000000e-03  1.5052000000e-03 -5.0600000000e-05  3.7768000000e-03  1.3181000000e-03  7.9170000000e-04  3.5268000000e-03 -2.9784000000e-03 -3.3343000000e-03 -2.0553000000e-03  4.5500000000e-04  2.5224000000e-03 -1.4790000000e-03  2.4468000000e-03
-
-JOB 73
-COORDS  5.6783700000e-01  8.4195000000e-01 -3.1141940000e+00  1.2740280000e+00  2.3712400000e-01 -2.8867900000e+00  8.1452300000e-01  1.6669540000e+00 -2.6961690000e+00 -5.8723700000e-01 -8.8003600000e-01  3.1127950000e+00 -1.4639570000e+00 -5.3858600000e-01  3.2888820000e+00 -4.8744800000e-01 -8.0708000000e-01  2.1636110000e+00
-ENERGY -1.526543012021e+02
-FORCES  4.1636000000e-03  1.0420000000e-03  2.1897000000e-03 -3.0689000000e-03  2.4486000000e-03 -7.3230000000e-04 -1.1502000000e-03 -3.4875000000e-03 -1.5504000000e-03 -3.4028000000e-03  1.5900000000e-03 -3.1931000000e-03  3.6233000000e-03 -1.3550000000e-03 -6.5640000000e-04 -1.6490000000e-04 -2.3810000000e-04  3.9426000000e-03
-
-JOB 74
-COORDS  3.2184940000e+00  2.5927500000e-01  3.1419000000e-02  3.0318220000e+00  7.3521300000e-01 -7.7782000000e-01  4.1740960000e+00  2.2453900000e-01  7.4422000000e-02 -3.2955690000e+00 -2.3712000000e-01 -9.9210000000e-03 -2.6449210000e+00 -2.1608000000e-01  6.9182400000e-01 -3.4002280000e+00 -1.1667970000e+00 -2.1235800000e-01
-ENERGY -1.526544937530e+02
-FORCES  3.2057000000e-03  1.9097000000e-03 -3.2057000000e-03  8.0480000000e-04 -2.0036000000e-03  3.3554000000e-03 -3.8974000000e-03  1.2030000000e-04 -1.7450000000e-04  2.4725000000e-03 -3.7273000000e-03  2.1423000000e-03 -2.8913000000e-03 -5.8700000000e-05 -2.8758000000e-03  3.0580000000e-04  3.7596000000e-03  7.5820000000e-04
-
-JOB 75
-COORDS -2.9339070000e+00 -1.2182890000e+00 -8.8504100000e-01 -2.9119830000e+00 -2.1719830000e+00 -8.0618000000e-01 -3.8450980000e+00 -9.8381100000e-01 -7.0902400000e-01  2.9899280000e+00  1.2448770000e+00  8.1772200000e-01  2.2209220000e+00  1.1842220000e+00  1.3844520000e+00  3.6521170000e+00  1.6770030000e+00  1.3571710000e+00
-ENERGY -1.526540251640e+02
-FORCES -3.5789000000e-03 -3.0123000000e-03  8.1760000000e-04 -1.4670000000e-04  3.9214000000e-03 -2.3490000000e-04  3.7422000000e-03 -9.2690000000e-04 -6.4270000000e-04 -7.6360000000e-04  1.4667000000e-03  4.3676000000e-03  3.3900000000e-03  3.1260000000e-04 -2.1174000000e-03 -2.6432000000e-03 -1.7616000000e-03 -2.1902000000e-03
-
-JOB 76
-COORDS -8.1172000000e-02 -3.4979700000e+00  8.6611600000e-01  2.8792100000e-01 -4.0866740000e+00  2.0776300000e-01 -3.2460500000e-01 -2.7125070000e+00  3.7619800000e-01  1.0659600000e-01  3.5405080000e+00 -7.8872800000e-01 -3.4965700000e-01  2.9393500000e+00 -1.9993700000e-01 -1.5991000000e-02  3.1626890000e+00 -1.6596230000e+00
-ENERGY -1.526538028776e+02
-FORCES  6.3280000000e-04  6.0070000000e-04 -4.6571000000e-03 -1.5618000000e-03  2.4758000000e-03  2.6802000000e-03  9.1510000000e-04 -3.0094000000e-03  1.9847000000e-03 -2.3822000000e-03 -3.7736000000e-03 -1.0618000000e-03  1.8858000000e-03  2.3075000000e-03 -2.5397000000e-03  5.1030000000e-04  1.3990000000e-03  3.5938000000e-03
-
-JOB 77
-COORDS  3.3683840000e+00  6.4263500000e-01  1.1928590000e+00  3.0281710000e+00  1.3724350000e+00  6.7529000000e-01  3.9336210000e+00  1.6230700000e-01  5.8786000000e-01 -3.4079090000e+00 -6.6699600000e-01 -1.0673230000e+00 -3.8889900000e+00 -4.9808700000e-01 -1.8774240000e+00 -2.4869990000e+00 -6.5482900000e-01 -1.3281070000e+00
-ENERGY -1.526539033771e+02
-FORCES  1.0250000000e-03  1.0924000000e-03 -4.4090000000e-03  1.3387000000e-03 -3.0646000000e-03  2.0104000000e-03 -2.3955000000e-03  1.9550000000e-03  2.4123000000e-03  1.8061000000e-03  6.5250000000e-04 -4.2513000000e-03  1.9945000000e-03 -6.6380000000e-04  3.2975000000e-03 -3.7687000000e-03  2.8500000000e-05  9.4010000000e-04
-
-JOB 78
-COORDS  2.4946670000e+00 -2.6819260000e+00  7.3695500000e-01  1.5951720000e+00 -2.8556910000e+00  1.0143450000e+00  2.8717040000e+00 -3.5490810000e+00  5.8823500000e-01 -2.4275610000e+00  2.7437060000e+00 -7.8781200000e-01 -2.1983850000e+00  2.4831580000e+00  1.0427800000e-01 -3.3823640000e+00  2.8109970000e+00 -7.8037500000e-01
-ENERGY -1.526539470625e+02
-FORCES -2.1137000000e-03 -4.2490000000e-03  3.5810000000e-04  3.6435000000e-03  7.3850000000e-04 -1.0214000000e-03 -1.5418000000e-03  3.5319000000e-03  6.5140000000e-04 -2.8127000000e-03 -7.2990000000e-04  3.6788000000e-03 -1.0572000000e-03  1.0214000000e-03 -3.6313000000e-03  3.8818000000e-03 -3.1290000000e-04 -3.5600000000e-05
-
-JOB 79
-COORDS -3.7772900000e+00 -1.4380080000e+00  1.1006310000e+00 -2.8700930000e+00 -1.6955580000e+00  9.3664000000e-01 -4.2918780000e+00 -1.9750100000e+00  4.9808500000e-01  3.7860660000e+00  1.4304420000e+00 -1.0262950000e+00  3.5091190000e+00  2.2373680000e+00 -5.9224000000e-01  3.5279600000e+00  1.5488830000e+00 -1.9403980000e+00
-ENERGY -1.526542043470e+02
-FORCES  1.6702000000e-03 -3.3057000000e-03 -3.0709000000e-03 -3.7740000000e-03  1.0822000000e-03  6.3810000000e-04  2.0737000000e-03  2.2142000000e-03  2.4329000000e-03 -2.1201000000e-03  3.8884000000e-03 -1.9313000000e-03  1.1290000000e-03 -3.3314000000e-03 -1.7930000000e-03  1.0213000000e-03 -5.4770000000e-04  3.7243000000e-03
-
-JOB 80
-COORDS  2.3252380000e+00  3.7210810000e+00 -2.0581760000e+00  1.6749950000e+00  4.4156120000e+00 -1.9530880000e+00  2.7629780000e+00  3.6715770000e+00 -1.2083730000e+00 -2.3269220000e+00 -3.7117040000e+00  1.9501550000e+00 -2.8909910000e+00 -4.3847630000e+00  2.3310100000e+00 -1.4890050000e+00 -3.8177610000e+00  2.4005740000e+00
-ENERGY -1.526540281794e+02
-FORCES -9.7020000000e-04  2.5644000000e-03  3.9097000000e-03  2.6961000000e-03 -2.7896000000e-03 -4.3650000000e-04 -1.7332000000e-03  2.2280000000e-04 -3.4643000000e-03  1.1411000000e-03 -3.2091000000e-03  3.3257000000e-03  2.2953000000e-03  2.7593000000e-03 -1.5367000000e-03 -3.4291000000e-03  4.5220000000e-04 -1.7981000000e-03
-
-JOB 81
-COORDS -3.5622480000e+00  2.5640170000e+00  2.3255030000e+00 -4.0270060000e+00  3.4005550000e+00  2.3463900000e+00 -4.2185460000e+00  1.9321240000e+00  2.0318780000e+00  3.6648730000e+00 -2.6107200000e+00 -2.2762420000e+00  2.7279010000e+00 -2.5126350000e+00 -2.1068460000e+00  3.8303240000e+00 -2.0558530000e+00 -3.0384630000e+00
-ENERGY -1.526540969981e+02
-FORCES -4.6013000000e-03  8.6520000000e-04 -1.0212000000e-03  1.9009000000e-03 -3.4237000000e-03 -1.1540000000e-04  2.7065000000e-03  2.5638000000e-03  1.1483000000e-03 -3.1672000000e-03  2.7422000000e-03 -2.3322000000e-03  3.8229000000e-03 -4.5710000000e-04 -7.4960000000e-04 -6.6190000000e-04 -2.2904000000e-03  3.0700000000e-03
-
-JOB 82
-COORDS -3.7578300000e-01  4.8741430000e+00  9.6266200000e-01 -8.6263000000e-01  4.6558070000e+00  1.7573570000e+00  9.2981000000e-02  5.6793640000e+00  1.1820030000e+00  3.4213800000e-01 -4.8751940000e+00 -1.0568100000e+00  6.9288400000e-01 -5.7599700000e+00 -1.1586970000e+00  6.4342200000e-01 -4.5956770000e+00 -1.9232700000e-01
-ENERGY -1.526539927148e+02
-FORCES -1.0920000000e-04  2.3856000000e-03  4.0956000000e-03  2.0091000000e-03  8.9320000000e-04 -3.2201000000e-03 -1.9025000000e-03 -3.2899000000e-03 -8.8320000000e-04  2.6798000000e-03 -2.3856000000e-03  3.0936000000e-03 -1.4391000000e-03  3.5928000000e-03  4.1880000000e-04 -1.2381000000e-03 -1.1961000000e-03 -3.5046000000e-03
-
-JOB 83
-COORDS -3.6880800000e+00  9.7341200000e-01 -3.4810150000e+00 -3.6230420000e+00  1.0527580000e+00 -2.5293290000e+00 -3.8943550000e+00  1.8583110000e+00 -3.7820730000e+00  3.6633630000e+00 -9.9418100000e-01  3.4882850000e+00  3.2811710000e+00 -1.4635600000e+00  2.7467700000e+00  4.6057860000e+00 -1.1389700000e+00  3.4039860000e+00
-ENERGY -1.526541544950e+02
-FORCES -6.1000000000e-04  3.9647000000e-03  2.6704000000e-03 -2.4520000000e-04 -3.5000000000e-04 -3.8969000000e-03  8.4760000000e-04 -3.6151000000e-03  1.2152000000e-03  2.3145000000e-03 -2.5430000000e-03 -3.3768000000e-03  1.5375000000e-03  1.9417000000e-03  3.0376000000e-03 -3.8444000000e-03  6.0170000000e-04  3.5050000000e-04
-
-JOB 84
-COORDS  4.4351080000e+00  9.7646300000e-01 -2.4936590000e+00  5.3648860000e+00  1.1963800000e+00 -2.4355040000e+00  4.0979340000e+00  1.1237510000e+00 -1.6100010000e+00 -4.4727950000e+00 -1.0175180000e+00  2.3905720000e+00 -3.9211160000e+00 -2.8060100000e-01  2.6529370000e+00 -4.8745700000e+00 -1.3186110000e+00  3.2055270000e+00
-ENERGY -1.526539951175e+02
-FORCES  2.3943000000e-03  1.4619000000e-03  3.8246000000e-03 -3.7941000000e-03 -8.8830000000e-04 -2.2990000000e-04  1.3897000000e-03 -5.7370000000e-04 -3.5866000000e-03  5.8130000000e-04  1.7694000000e-03  4.3662000000e-03 -2.2246000000e-03 -3.0043000000e-03 -1.0543000000e-03  1.6533000000e-03  1.2350000000e-03 -3.3200000000e-03
-
-JOB 85
-COORDS -3.2584820000e+00 -4.0572910000e+00 -6.6360900000e-01 -3.8162650000e+00 -3.8674190000e+00  9.0751000000e-02 -3.8660010000e+00 -4.3458330000e+00 -1.3447080000e+00  3.2770510000e+00  4.0393340000e+00  6.6370100000e-01  4.0966130000e+00  3.7268890000e+00  1.0470130000e+00  3.5139430000e+00  4.8554210000e+00  2.2311600000e-01
-ENERGY -1.526540016647e+02
-FORCES -4.7284000000e-03 -3.0680000000e-04  3.1290000000e-04  2.2538000000e-03 -8.2570000000e-04 -3.0803000000e-03  2.4744000000e-03  1.1466000000e-03  2.7719000000e-03  4.3074000000e-03  1.9802000000e-03 -2.6360000000e-04 -3.3356000000e-03  1.3129000000e-03 -1.5480000000e-03 -9.7160000000e-04 -3.3071000000e-03  1.8072000000e-03
-
-JOB 86
-COORDS  3.2739010000e+00  4.3500020000e+00 -1.1117910000e+00  2.8505100000e+00  3.6516800000e+00 -6.1247300000e-01  2.7138600000e+00  4.4701470000e+00 -1.8787010000e+00 -3.2748680000e+00 -4.2944430000e+00  1.1164010000e+00 -2.5324290000e+00 -3.8847220000e+00  1.5604100000e+00 -2.9670910000e+00 -5.1734960000e+00  8.9556100000e-01
-ENERGY -1.526540784280e+02
-FORCES -4.0428000000e-03 -2.3183000000e-03 -1.1119000000e-03  1.7487000000e-03  2.8174000000e-03 -2.0188000000e-03  2.3011000000e-03 -5.0310000000e-04  3.1350000000e-03  4.2475000000e-03 -1.9929000000e-03  9.5320000000e-04 -3.0121000000e-03 -1.6176000000e-03 -1.8470000000e-03 -1.2424000000e-03  3.6146000000e-03  8.8940000000e-04
-
-JOB 87
-COORDS  5.4194360000e+00 -3.1723100000e-01 -1.9660080000e+00  5.1784750000e+00  4.0451500000e-01 -2.5467430000e+00  5.3864960000e+00  6.0634000000e-02 -1.0871650000e+00 -5.3974300000e+00  2.6565000000e-01  2.0175440000e+00 -4.7613600000e+00 -1.2341500000e-01  1.4173150000e+00 -6.1638670000e+00  4.4387700000e-01  1.4725290000e+00
-ENERGY -1.526540982145e+02
-FORCES -1.0647000000e-03  4.4978000000e-03  1.2386000000e-03  9.5470000000e-04 -2.9549000000e-03  2.3597000000e-03  1.1320000000e-04 -1.5471000000e-03 -3.6013000000e-03 -5.5680000000e-04 -9.0720000000e-04 -4.6689000000e-03 -2.5812000000e-03  1.6210000000e-03  2.4503000000e-03  3.1348000000e-03 -7.0960000000e-04  2.2217000000e-03
-
-JOB 88
-COORDS -6.5027700000e+00 -2.0653700000e-01  2.4424300000e+00 -5.6642870000e+00  8.6200000000e-02  2.7994810000e+00 -6.6087320000e+00 -1.0967830000e+00  2.7777890000e+00  6.4844490000e+00  2.4318900000e-01 -2.4102100000e+00  7.0335070000e+00 -7.3383000000e-02 -3.1275310000e+00  5.6372430000e+00  4.2301700000e-01 -2.8178070000e+00
-ENERGY -1.526541041029e+02
-FORCES  2.9914000000e-03 -2.4338000000e-03  2.8459000000e-03 -3.4237000000e-03 -1.1945000000e-03 -1.4689000000e-03  4.2840000000e-04  3.6283000000e-03 -1.3771000000e-03 -1.2060000000e-03 -5.4520000000e-04 -4.6078000000e-03 -2.2411000000e-03  1.2861000000e-03  2.9311000000e-03  3.4510000000e-03 -7.4090000000e-04  1.6767000000e-03
-
-JOB 89
-COORDS -3.5553870000e+00  3.2328470000e+00  5.5643900000e+00 -3.3981810000e+00  2.4197010000e+00  5.0844820000e+00 -2.6809430000e+00  3.5582210000e+00  5.7781950000e+00  3.5378820000e+00 -3.2574650000e+00 -5.5455320000e+00  3.8540640000e+00 -2.3636920000e+00 -5.4135070000e+00  2.5961560000e+00 -3.1604600000e+00 -5.6868620000e+00
-ENERGY -1.526540639962e+02
-FORCES  4.2055000000e-03 -1.9979000000e-03 -1.0528000000e-03 -6.3950000000e-04  3.3245000000e-03  1.9388000000e-03 -3.5669000000e-03 -1.3249000000e-03 -8.8860000000e-04 -2.5458000000e-03  4.0349000000e-03 -7.8800000000e-05 -1.2952000000e-03 -3.6453000000e-03 -5.1680000000e-04  3.8420000000e-03 -3.9120000000e-04  5.9820000000e-04
-
-JOB 0
-COORDS -6.8705100000e-01 -4.7308800000e-01  8.7317800000e-01 -1.3413110000e+00 -9.7942900000e-01  1.3546290000e+00  9.6754000000e-02 -5.1100700000e-01  1.4213050000e+00  7.3921500000e-01  4.9002800000e-01 -9.7182000000e-01  3.4053900000e-01 -4.2156000000e-02 -2.8329300000e-01  1.8101200000e-01  1.2654880000e+00 -1.0292900000e+00
-ENERGY -1.526510668084e+02
-FORCES  7.5232000000e-03  3.4984000000e-03 -1.2122900000e-02  4.4543000000e-03  3.9669000000e-03 -6.9130000000e-04 -3.2926000000e-03  3.2150000000e-04 -9.2860000000e-03 -1.7378000000e-02 -6.1887000000e-03  1.2443900000e-02  6.8098000000e-03 -6.3570000000e-04  1.0251700000e-02  1.8833000000e-03 -9.6240000000e-04 -5.9540000000e-04
-
-JOB 1
-COORDS -5.2215900000e-01  6.9367400000e-01  1.0195270000e+00 -5.2859500000e-01  1.9948600000e-01  1.9979000000e-01 -1.1387420000e+00  1.4108650000e+00  8.7223200000e-01  5.6088900000e-01 -6.9906000000e-01 -8.9017200000e-01  1.5249800000e-01 -1.4109870000e+00 -1.3827240000e+00  9.3567600000e-01 -1.2765400000e-01 -1.5604430000e+00
-ENERGY -1.526566489367e+02
-FORCES  5.7090000000e-03 -8.8526000000e-03 -1.1587600000e-02 -6.5837000000e-03  5.3376000000e-03  5.1028000000e-03  2.9092000000e-03 -3.2108000000e-03 -2.3363000000e-03  5.9290000000e-04  4.7513000000e-03  2.5352000000e-03  7.0650000000e-04  5.3685000000e-03  3.2930000000e-03 -3.3339000000e-03 -3.3941000000e-03  2.9929000000e-03
-
-JOB 2
-COORDS  8.4091300000e-01  5.4708100000e-01 -9.2067700000e-01  2.3452300000e-01  2.5393400000e-01 -2.4053900000e-01  4.1431700000e-01  3.0562300000e-01 -1.7428370000e+00 -7.4280700000e-01 -4.5959400000e-01  9.2924700000e-01 -1.5960310000e+00 -5.5684700000e-01  5.0642200000e-01 -5.6903000000e-01 -1.3164300000e+00  1.3189470000e+00
-ENERGY -1.526576965208e+02
-FORCES -1.1343200000e-02 -8.1430000000e-03  1.2705100000e-02  2.6196000000e-03  4.4950000000e-03 -8.0711000000e-03 -4.3250000000e-04 -2.0700000000e-05  3.3140000000e-03  5.8444000000e-03 -7.2000000000e-04 -6.2172000000e-03  6.1957000000e-03  2.4490000000e-04  4.2320000000e-04 -2.8840000000e-03  4.1438000000e-03 -2.1540000000e-03
-
-JOB 3
-COORDS  5.5413000000e-01  1.2416790000e+00  1.1898700000e-01  1.2023780000e+00  1.2354460000e+00 -5.8526300000e-01  3.5098100000e-01  3.1796600000e-01  2.6635200000e-01 -5.6758800000e-01 -1.1648370000e+00 -2.6547000000e-02 -4.6396000000e-02 -1.8456020000e+00 -4.5216500000e-01 -1.2528930000e+00 -9.5532300000e-01 -6.6112800000e-01
-ENERGY -1.526583404356e+02
-FORCES -5.2019000000e-03 -1.6599200000e-02 -1.5348000000e-03 -2.3649000000e-03 -1.2262000000e-03  1.5421000000e-03  4.9771000000e-03  8.1378000000e-03  3.4050000000e-04  3.2990000000e-04  7.1923000000e-03 -4.3172000000e-03 -1.8380000000e-03  5.2411000000e-03  1.3288000000e-03  4.0978000000e-03 -2.7458000000e-03  2.6405000000e-03
-
-JOB 4
-COORDS -6.6519000000e-02  5.8163900000e-01  1.1315760000e+00  6.7089300000e-01  4.8848900000e-01  1.7347170000e+00 -4.4882800000e-01  1.4317090000e+00  1.3494130000e+00  9.0824000000e-02 -6.2499700000e-01 -1.2367080000e+00 -7.5796100000e-01 -1.0632730000e+00 -1.1758080000e+00  2.0703300000e-01 -2.0733400000e-01 -3.8331300000e-01
-ENERGY -1.526592023781e+02
-FORCES -1.2260000000e-04  1.2710000000e-04 -6.5809000000e-03 -3.8471000000e-03  1.0132000000e-03 -4.1077000000e-03  2.5118000000e-03 -4.5044000000e-03  1.0093000000e-03 -3.9883000000e-03  7.0413000000e-03  1.5526200000e-02  1.8177000000e-03  1.1589000000e-03 -5.7240000000e-04  3.6286000000e-03 -4.8362000000e-03 -5.2746000000e-03
-
-JOB 5
-COORDS -5.6961000000e-02  1.3085190000e+00 -1.3337600000e-01  2.7145900000e-01  1.6645800000e+00 -9.5896300000e-01  5.3512100000e-01  1.6595470000e+00  5.3179300000e-01  6.6267000000e-02 -1.3640220000e+00  1.1166900000e-01 -6.1225100000e-01 -1.8824060000e+00  5.4424700000e-01 -2.2040900000e-01 -4.5696400000e-01  2.1794800000e-01
-ENERGY -1.526600418158e+02
-FORCES  4.6741000000e-03 -4.7906000000e-03 -3.0845000000e-03 -9.4510000000e-04  2.7230000000e-04  4.7973000000e-03 -3.1025000000e-03 -2.4472000000e-03 -3.3969000000e-03 -2.1697000000e-03  1.2734200000e-02 -1.7090000000e-03  1.4484000000e-03  3.9973000000e-03 -1.0205000000e-03  9.4900000000e-05 -9.7661000000e-03  4.4136000000e-03
-
-JOB 6
-COORDS  1.6650800000e-01 -2.8062600000e-01 -1.3056300000e+00  2.7555200000e-01  2.0305700000e-01 -2.1244050000e+00  6.5787300000e-01  2.2697500000e-01 -6.5977100000e-01 -2.2454200000e-01  1.6911900000e-01  1.2675720000e+00 -2.9267400000e-01  1.1200010000e+00  1.1814740000e+00  2.0742000000e-01  3.4869000000e-02  2.1111460000e+00
-ENERGY -1.526520699659e+02
-FORCES  1.1939000000e-03  1.3025000000e-03  8.6921000000e-03 -1.1106000000e-03 -5.7740000000e-04  5.3548000000e-03  3.3380000000e-04  2.3245000000e-03 -6.2447000000e-03 -2.0601000000e-03  1.7209000000e-03 -6.3230000000e-04  3.2711000000e-03 -5.1203000000e-03 -1.8548000000e-03 -1.6281000000e-03  3.4980000000e-04 -5.3152000000e-03
-
-JOB 7
-COORDS -6.1648700000e-01  1.1478220000e+00 -1.0301700000e-01 -6.1416100000e-01  1.3494240000e+00 -1.0387430000e+00 -1.5050820000e+00  1.3565000000e+00  1.8522800000e-01  7.0284300000e-01 -1.2050810000e+00  1.9433800000e-01  8.5723700000e-01 -1.3379760000e+00 -7.4093300000e-01  4.1782000000e-02 -5.1387500000e-01  2.3260900000e-01
-ENERGY -1.526582254242e+02
-FORCES  1.1342000000e-03 -1.9219000000e-03 -2.7075000000e-03 -6.2540000000e-04 -1.8320000000e-03  4.8566000000e-03  4.9183000000e-03 -2.0787000000e-03 -1.9848000000e-03 -7.3514000000e-03  1.3571600000e-02 -3.6342000000e-03 -4.9660000000e-04  9.2770000000e-04  2.0627000000e-03  2.4209000000e-03 -8.6667000000e-03  1.4072000000e-03
-
-JOB 8
-COORDS -4.0255700000e-01  7.9257300000e-01 -1.1199720000e+00 -1.1172260000e+00  1.6235800000e-01 -1.0288260000e+00  3.6410000000e-03  8.2172800000e-01 -2.5372400000e-01  3.7386200000e-01 -7.2807200000e-01  1.0928850000e+00  1.2650610000e+00 -3.9737200000e-01  9.8048800000e-01  3.3885000000e-01 -1.5137840000e+00  5.4730000000e-01
-ENERGY -1.526553687184e+02
-FORCES -1.0896000000e-03 -8.0622000000e-03  1.2861600000e-02  1.4935000000e-03  9.0650000000e-04 -2.8832000000e-03  4.1326000000e-03  4.1416000000e-03 -3.9814000000e-03  2.5190000000e-03 -2.0376000000e-03 -7.8757000000e-03 -6.2937000000e-03  1.5094000000e-03 -9.9290000000e-04 -7.6180000000e-04  3.5423000000e-03  2.8718000000e-03
-
-JOB 9
-COORDS  9.9663300000e-01  5.5903600000e-01  6.4523800000e-01  1.9353140000e+00  6.1045500000e-01  4.6505700000e-01  8.3646400000e-01  1.2537250000e+00  1.2839750000e+00 -1.0689930000e+00 -5.6987700000e-01 -7.2043300000e-01 -1.4381000000e-01 -4.5507800000e-01 -5.0343600000e-01 -1.3966870000e+00 -1.1796170000e+00 -5.9323000000e-02
-ENERGY -1.526579651912e+02
-FORCES -5.1105000000e-03  2.8193000000e-03  3.6840000000e-04 -5.2960000000e-03 -5.8600000000e-04  1.6830000000e-04  3.1062000000e-03 -3.1064000000e-03 -2.0953000000e-03  9.6395000000e-03  3.7187000000e-03  8.8465000000e-03 -2.8864000000e-03 -4.8693000000e-03 -5.5548000000e-03  5.4720000000e-04  2.0235000000e-03 -1.7330000000e-03
-
-JOB 10
-COORDS -7.4824800000e-01 -8.5371000000e-01 -7.2163700000e-01 -6.1417800000e-01 -1.5975630000e+00 -1.3089530000e+00 -1.1279240000e+00 -1.7382900000e-01 -1.2782700000e+00  8.2240100000e-01  8.6848600000e-01  8.0736700000e-01  2.0311000000e-01  1.5577860000e+00  5.6741500000e-01  3.6263100000e-01  5.2869000000e-02  6.0833800000e-01
-ENERGY -1.526582708994e+02
-FORCES  2.5891000000e-03  2.6886000000e-03 -3.1397000000e-03 -1.0808000000e-03  3.9966000000e-03  1.9816000000e-03  1.4835000000e-03 -3.0044000000e-03  2.9601000000e-03 -8.5329000000e-03 -6.9932000000e-03 -6.7625000000e-03  1.6447000000e-03 -1.5216000000e-03 -1.9340000000e-04  3.8964000000e-03  4.8341000000e-03  5.1538000000e-03
-
-JOB 11
-COORDS  5.7266900000e-01 -6.4541400000e-01 -1.0976360000e+00 -1.0642800000e-01 -2.8480000000e-02 -8.2477800000e-01  5.9726300000e-01 -5.6883800000e-01 -2.0514510000e+00 -5.0200700000e-01  6.3707300000e-01  1.0879670000e+00 -1.6655100000e-01  2.0966500000e-01  1.8760170000e+00 -1.4468310000e+00  4.8641200000e-01  1.1169470000e+00
-ENERGY -1.526571542160e+02
-FORCES -3.2954000000e-03  5.6219000000e-03  5.3932000000e-03 -6.3400000000e-05 -4.0255000000e-03 -8.0420000000e-03 -1.4010000000e-03  1.0666000000e-03  4.4421000000e-03  2.8645000000e-03 -5.7121000000e-03  3.0980000000e-03 -3.0417000000e-03  2.9478000000e-03 -2.0706000000e-03  4.9370000000e-03  1.0130000000e-04 -2.8207000000e-03
-
-JOB 12
-COORDS  1.2517370000e+00  1.0947700000e-01  6.9516100000e-01  1.8972010000e+00  1.5412000000e-01 -1.0258000000e-02  4.1397900000e-01 -6.5480000000e-03  2.4690700000e-01 -1.1902810000e+00 -5.7518000000e-02 -5.8599100000e-01 -1.1049850000e+00 -3.6939500000e-01 -1.4869280000e+00 -1.9914890000e+00 -4.7050600000e-01 -2.6390600000e-01
-ENERGY -1.526602064924e+02
-FORCES -1.1045800000e-02 -2.4030000000e-04 -7.2712000000e-03 -2.8535000000e-03 -4.8710000000e-04  1.0400000000e-03  9.7986000000e-03 -1.8500000000e-05  3.1293000000e-03  3.0950000000e-04 -2.3645000000e-03  1.1242000000e-03  1.6090000000e-04  1.2563000000e-03  5.0781000000e-03  3.6302000000e-03  1.8541000000e-03 -3.1003000000e-03
-
-JOB 13
-COORDS -1.8837000000e-02 -1.3817600000e+00  3.5809000000e-02 -8.6093300000e-01 -1.7901670000e+00  2.3658400000e-01  1.4555100000e-01 -1.6082480000e+00 -8.7956600000e-01  7.3601000000e-02  1.4634140000e+00  6.0333000000e-02 -2.3926200000e-01  1.7380880000e+00 -8.0158500000e-01  1.3961500000e-01  5.1045200000e-01 -7.9900000000e-04
-ENERGY -1.526601507633e+02
-FORCES -3.9961000000e-03 -1.9854000000e-03 -6.4770000000e-04  4.5013000000e-03  1.2007000000e-03 -2.1615000000e-03 -1.6232000000e-03  3.5062000000e-03  4.5671000000e-03 -1.2180000000e-03 -1.1233800000e-02 -1.2953000000e-03  9.4650000000e-04 -2.0376000000e-03  2.2723000000e-03  1.3895000000e-03  1.0549900000e-02 -2.7349000000e-03
-
-JOB 14
-COORDS  7.8210500000e-01  4.8007300000e-01 -1.1569450000e+00  1.3184600000e-01  4.1169500000e-01 -4.5786000000e-01  1.6135210000e+00  6.0661300000e-01 -6.9981500000e-01 -7.9726700000e-01 -4.2608500000e-01  1.0507400000e+00 -6.4997500000e-01 -1.3337750000e+00  7.8496800000e-01 -8.7195500000e-01 -4.6431800000e-01  2.0042560000e+00
-ENERGY -1.526607353084e+02
-FORCES -3.1301000000e-03 -2.9510000000e-04  1.0259300000e-02  3.8728000000e-03 -1.6320000000e-04 -7.9250000000e-03 -2.0358000000e-03 -6.3840000000e-04 -1.6918000000e-03  1.1235000000e-03 -2.6747000000e-03  1.6969000000e-03 -4.7350000000e-04  5.1767000000e-03  1.9557000000e-03  6.4320000000e-04 -1.4053000000e-03 -4.2951000000e-03
-
-JOB 15
-COORDS  1.7105300000e-01  7.0770700000e-01 -1.3014640000e+00 -4.5386500000e-01  1.3303620000e+00 -9.2996600000e-01  1.3283100000e-01 -4.8766000000e-02 -7.1621200000e-01 -1.4780800000e-01 -6.6721500000e-01  1.1830070000e+00  5.6857400000e-01 -1.2818440000e+00  1.3419410000e+00 -5.9075700000e-01 -5.9120800000e-01  2.0281400000e+00
-ENERGY -1.526584376009e+02
-FORCES -4.3411000000e-03 -2.8274000000e-03  1.1659000000e-02  1.4189000000e-03 -1.5670000000e-04 -2.6020000000e-03  3.5076000000e-03 -2.4630000000e-04 -6.3629000000e-03  4.4240000000e-04  8.2080000000e-04  2.2621000000e-03 -3.8305000000e-03  3.0983000000e-03 -1.7571000000e-03  2.8028000000e-03 -6.8870000000e-04 -3.1992000000e-03
-
-JOB 16
-COORDS -2.3697200000e-01  9.2975200000e-01  1.1195870000e+00  7.1352000000e-01  8.5545100000e-01  1.2048900000e+00 -5.5240900000e-01  2.6708000000e-02  1.1548530000e+00  2.4767100000e-01 -8.8504600000e-01 -1.1711540000e+00  2.1909200000e-01 -1.6532800000e-01 -5.4074100000e-01 -5.6774200000e-01 -1.3646050000e+00 -1.0250150000e+00
-ENERGY -1.526543199672e+02
-FORCES  2.6926000000e-03 -3.9024000000e-03  4.4113000000e-03 -5.9303000000e-03 -4.5190000000e-04 -4.2927000000e-03  2.4140000000e-03  4.0555000000e-03 -6.5726000000e-03 -5.3708000000e-03  6.3358000000e-03  3.8799000000e-03  2.7599000000e-03 -7.9457000000e-03  1.1550000000e-03  3.4347000000e-03  1.9088000000e-03  1.4191000000e-03
-
-JOB 17
-COORDS  9.2733000000e-02 -6.2205100000e-01  1.3455320000e+00  9.6332300000e-01 -1.0182390000e+00  1.3089220000e+00  4.2059000000e-02 -8.0786000000e-02  5.5768900000e-01 -1.5224500000e-01  6.1105600000e-01 -1.2308480000e+00 -2.3815000000e-01 -1.1391200000e-01 -1.8499390000e+00  1.1754900000e-01  1.3553730000e+00 -1.7688410000e+00
-ENERGY -1.526612541030e+02
-FORCES  2.0548000000e-03  4.8715000000e-03 -8.7031000000e-03 -2.6527000000e-03  8.9100000000e-04 -3.3010000000e-04  3.5480000000e-04 -5.4989000000e-03  7.8760000000e-03  2.8160000000e-04 -5.6700000000e-05 -2.5730000000e-03  1.3143000000e-03  4.1618000000e-03  2.6167000000e-03 -1.3526000000e-03 -4.3687000000e-03  1.1134000000e-03
-
-JOB 18
-COORDS -9.1624300000e-01  1.0605060000e+00 -3.0541600000e-01 -8.0219100000e-01  3.2436200000e-01 -9.0651100000e-01 -1.8486340000e+00  1.2706540000e+00 -3.5752800000e-01  1.0052830000e+00 -1.0261130000e+00  2.8837300000e-01  4.8439300000e-01 -1.7884290000e+00  5.4092100000e-01  8.1229800000e-01 -3.7078700000e-01  9.5884800000e-01
-ENERGY -1.526580904420e+02
-FORCES  1.6460000000e-04 -3.9158000000e-03 -4.0004000000e-03 -4.1948000000e-03  4.6411000000e-03  1.8563000000e-03  3.9745000000e-03 -2.2105000000e-03  4.0710000000e-04 -4.0660000000e-03  3.3758000000e-03  5.5287000000e-03  1.2355000000e-03  3.2116000000e-03 -2.1093000000e-03  2.8862000000e-03 -5.1021000000e-03 -1.6824000000e-03
-
-JOB 19
-COORDS  1.4026940000e+00  4.4685400000e-01 -3.1952400000e-01  1.4123570000e+00  1.3047550000e+00  1.0490900000e-01  4.9431600000e-01  1.5374800000e-01 -2.4762300000e-01 -1.3333840000e+00 -4.2180300000e-01  3.1600300000e-01 -1.8807490000e+00 -5.5697400000e-01 -4.5752900000e-01 -1.0729590000e+00 -1.3034240000e+00  5.8275100000e-01
-ENERGY -1.526614805058e+02
-FORCES -1.0286700000e-02  9.2100000000e-04  3.7215000000e-03  3.6850000000e-04 -2.4270000000e-03 -1.4409000000e-03  9.8981000000e-03  1.3280000000e-04 -3.0788000000e-03 -3.4304000000e-03 -4.5442000000e-03 -2.3420000000e-04  3.8264000000e-03  5.3000000000e-04  3.7733000000e-03 -3.7600000000e-04  5.3875000000e-03 -2.7409000000e-03
-
-JOB 20
-COORDS -4.7642100000e-01  1.1878690000e+00 -7.9632900000e-01 -7.6466000000e-02  4.4973700000e-01 -3.3651600000e-01 -1.2337140000e+00  8.1012500000e-01 -1.2435960000e+00  4.3268500000e-01 -1.0964120000e+00  7.6766600000e-01  8.6610900000e-01 -8.8930700000e-01  1.5956050000e+00  9.8775200000e-01 -1.7654330000e+00  3.6698800000e-01
-ENERGY -1.526618411383e+02
-FORCES  6.1600000000e-04 -9.6303000000e-03  4.6474000000e-03 -2.1694000000e-03  8.3424000000e-03 -5.7616000000e-03  2.3630000000e-03  1.0307000000e-03  9.1420000000e-04  3.3919000000e-03 -1.6005000000e-03  2.4710000000e-03 -1.5367000000e-03 -1.6524000000e-03 -4.5277000000e-03 -2.6647000000e-03  3.5101000000e-03  2.2567000000e-03
-
-JOB 21
-COORDS  1.1053170000e+00  5.3265000000e-02 -1.0016770000e+00  1.9892980000e+00 -8.8159000000e-02 -6.6284400000e-01  5.3287700000e-01 -9.9087000000e-02 -2.4979000000e-01 -1.1060210000e+00 -1.2430000000e-02  8.8897400000e-01 -1.5982230000e+00  4.3778600000e-01  1.5754690000e+00 -9.5963400000e-01 -8.9228400000e-01  1.2363330000e+00
-ENERGY -1.526584348022e+02
-FORCES -4.1291000000e-03  1.3380000000e-03  6.4741000000e-03 -3.6520000000e-03  1.4400000000e-04 -2.5970000000e-04  7.2146000000e-03 -4.7305000000e-03 -4.4732000000e-03 -3.1126000000e-03  1.3331000000e-03  3.6414000000e-03  1.5061000000e-03 -3.4689000000e-03 -2.5894000000e-03  2.1730000000e-03  5.3843000000e-03 -2.7932000000e-03
-
-JOB 22
-COORDS -2.0293800000e-01 -1.1922520000e+00 -7.3860400000e-01 -1.1978400000e-01 -1.3799620000e+00 -1.6735280000e+00  5.1155000000e-02 -2.0077370000e+00 -3.0657000000e-01  2.1886000000e-01  1.2263960000e+00  8.2366000000e-01  2.7689000000e-01  8.3904900000e-01 -4.9739000000e-02 -4.0274900000e-01  1.9476440000e+00  7.2550500000e-01
-ENERGY -1.526580050947e+02
-FORCES  1.0004000000e-03 -5.3981000000e-03  1.9459000000e-03 -6.6400000000e-05  2.2477000000e-03  4.5787000000e-03 -1.4498000000e-03  2.7617000000e-03 -3.4399000000e-03 -3.2497000000e-03 -4.6438000000e-03 -5.8503000000e-03  1.7526000000e-03  7.7844000000e-03  2.9844000000e-03  2.0129000000e-03 -2.7519000000e-03 -2.1880000000e-04
-
-JOB 23
-COORDS  7.1604700000e-01 -1.0780060000e+00  5.9053900000e-01  7.0640700000e-01 -1.4740840000e+00  1.4618950000e+00  1.6333680000e+00 -1.1160090000e+00  3.1978200000e-01 -8.2810700000e-01  1.1354980000e+00 -6.1434900000e-01 -9.7484000000e-02  1.4227830000e+00 -1.1619700000e+00 -5.4682600000e-01  2.9083200000e-01 -2.6270700000e-01
-ENERGY -1.526602463809e+02
-FORCES  3.1160000000e-03 -3.8330000000e-04  2.7760000000e-03  1.1524000000e-03  1.3840000000e-03 -4.1362000000e-03 -4.0727000000e-03  9.6400000000e-05  1.5609000000e-03  7.0055000000e-03 -6.7061000000e-03  2.5715000000e-03 -1.9879000000e-03 -5.5650000000e-04  1.3246000000e-03 -5.2133000000e-03  6.1655000000e-03 -4.0968000000e-03
-
-JOB 24
-COORDS  1.1614400000e-01 -7.0785000000e-02  1.4729530000e+00  1.0359950000e+00 -1.9151000000e-01  1.2373010000e+00  1.1204100000e-01  7.0423100000e-01  2.0347050000e+00 -1.6331000000e-01 -2.2014000000e-02 -1.5359960000e+00 -4.7715000000e-02  8.9763000000e-01 -1.7750030000e+00 -4.0495500000e-01 -7.8200000000e-04 -6.1004300000e-01
-ENERGY -1.526605402854e+02
-FORCES  5.1180000000e-03  1.6634000000e-03  3.2334000000e-03 -5.3751000000e-03  1.6244000000e-03  1.0408000000e-03  5.2500000000e-04 -3.3482000000e-03 -3.1956000000e-03 -1.8347000000e-03  3.1801000000e-03  7.3023000000e-03  1.0400000000e-04 -3.0108000000e-03  1.1200000000e-03  1.4628000000e-03 -1.0890000000e-04 -9.5010000000e-03
-
-JOB 25
-COORDS -6.6444100000e-01 -1.0281480000e+00 -9.0985900000e-01  6.0620000000e-02 -4.8867600000e-01 -5.9444300000e-01 -2.8496000000e-01 -1.5510720000e+00 -1.6161000000e+00  6.1201400000e-01  9.7830700000e-01  8.9661500000e-01 -5.1102000000e-02  1.0418440000e+00  1.5839800000e+00  1.0663220000e+00  1.8204160000e+00  9.2285800000e-01
-ENERGY -1.526607859185e+02
-FORCES  5.3210000000e-03  3.2783000000e-03  1.5509000000e-03 -4.1446000000e-03 -6.8976000000e-03 -5.4579000000e-03 -5.8390000000e-04  2.4377000000e-03  2.5354000000e-03 -2.3189000000e-03  3.7400000000e-03  3.3922000000e-03  3.9287000000e-03  8.8980000000e-04 -2.5416000000e-03 -2.2022000000e-03 -3.4482000000e-03  5.2100000000e-04
-
-JOB 26
-COORDS -1.0665600000e+00 -6.9068400000e-01 -9.3377100000e-01 -1.3459720000e+00  9.8289000000e-02 -4.6935400000e-01 -1.1040100000e-01 -6.6448600000e-01 -8.9764600000e-01  9.7387000000e-01  6.1217600000e-01  8.9463500000e-01  1.1299680000e+00  1.5489310000e+00  7.7482000000e-01  1.8024480000e+00  2.7206700000e-01  1.2322970000e+00
-ENERGY -1.526579336187e+02
-FORCES  6.3490000000e-03  5.3125000000e-03  6.8937000000e-03 -1.8968000000e-03 -1.6916000000e-03 -3.1611000000e-03 -3.3534000000e-03 -2.9203000000e-03 -4.1710000000e-03  3.9767000000e-03  2.2175000000e-03  2.5344000000e-03 -1.3941000000e-03 -4.6061000000e-03  2.0950000000e-04 -3.6813000000e-03  1.6880000000e-03 -2.3054000000e-03
-
-JOB 27
-COORDS  8.7333600000e-01  1.2192860000e+00  1.7469400000e-01  1.0752670000e+00  1.6383490000e+00 -6.6187100000e-01  8.3702000000e-02  1.6646980000e+00  4.8180600000e-01 -9.0269500000e-01 -1.2811400000e+00 -1.3052600000e-01 -2.2600000000e-01 -8.4177600000e-01  3.8452200000e-01 -4.6429000000e-01 -1.5227860000e+00 -9.4639400000e-01
-ENERGY -1.526585810855e+02
-FORCES -3.5004000000e-03  4.2758000000e-03 -3.8404000000e-03 -7.7290000000e-04 -1.5249000000e-03  3.6175000000e-03  4.0619000000e-03 -2.6532000000e-03 -8.6330000000e-04  8.2344000000e-03  4.2768000000e-03 -1.4891000000e-03 -5.7395000000e-03 -4.4406000000e-03  5.2450000000e-04 -2.2835000000e-03  6.6100000000e-05  2.0508000000e-03
-
-JOB 28
-COORDS  3.7221600000e-01  1.1702170000e+00 -1.0036880000e+00  7.1049100000e-01  7.2985100000e-01 -2.2402100000e-01 -5.3701300000e-01  1.3767540000e+00 -7.8717800000e-01 -2.8002800000e-01 -1.1298320000e+00  9.4494800000e-01 -7.7969900000e-01 -1.3552340000e+00  1.7296480000e+00 -8.3205400000e-01 -1.4178840000e+00  2.1795100000e-01
-ENERGY -1.526589245152e+02
-FORCES -2.3678000000e-03 -3.0570000000e-03  7.6138000000e-03  7.9950000000e-04  4.3238000000e-03 -5.4729000000e-03  2.2813000000e-03 -5.1360000000e-04 -2.1959000000e-03 -4.0690000000e-03 -3.6343000000e-03 -2.7270000000e-04  1.6088000000e-03  1.1839000000e-03 -3.9826000000e-03  1.7472000000e-03  1.6972000000e-03  4.3104000000e-03
-
-JOB 29
-COORDS -4.0777000000e-01  1.4452460000e+00  4.9145900000e-01  2.5168400000e-01  1.5548230000e+00  1.1765460000e+00 -5.6319300000e-01  5.0138700000e-01  4.5672500000e-01  3.4273200000e-01 -1.3898030000e+00 -4.8915500000e-01  1.2934020000e+00 -1.4970430000e+00 -4.5818600000e-01  1.2050600000e-01 -1.4852010000e+00 -1.4153010000e+00
-ENERGY -1.526590999407e+02
-FORCES  3.2170000000e-03 -7.8023000000e-03  7.2460000000e-04 -1.8390000000e-03 -7.3000000000e-06 -2.2842000000e-03 -2.6422000000e-03  7.5784000000e-03  2.4396000000e-03  4.1392000000e-03  2.6240000000e-04 -4.9264000000e-03 -4.0647000000e-03  2.6400000000e-05 -1.6210000000e-04  1.1897000000e-03 -5.7600000000e-05  4.2086000000e-03
-
-JOB 30
-COORDS  4.4784200000e-01 -1.4574030000e+00  2.3893800000e-01  1.0243280000e+00 -1.6129620000e+00  9.8706800000e-01  1.0289930000e+00 -1.1310370000e+00 -4.4807100000e-01 -5.1128800000e-01  1.5134450000e+00 -2.2613100000e-01 -2.3866900000e-01  8.2110100000e-01  3.7600800000e-01 -6.4080500000e-01  1.0666670000e+00 -1.0626990000e+00
-ENERGY -1.526580281954e+02
-FORCES  5.9021000000e-03 -2.5758000000e-03 -4.2590000000e-04 -3.0116000000e-03  1.8366000000e-03 -3.5085000000e-03 -4.1483000000e-03 -1.0550000000e-04  3.4983000000e-03 -8.0510000000e-04 -8.7454000000e-03  3.1120000000e-04  4.3610000000e-04  7.1589000000e-03 -1.6449000000e-03  1.6268000000e-03  2.4312000000e-03  1.7697000000e-03
-
-JOB 31
-COORDS  7.4013000000e-01  1.3160960000e+00 -5.1082100000e-01  1.3629790000e+00  1.5195600000e+00  1.8695600000e-01  2.4208400000e-01  5.6958800000e-01 -1.7779200000e-01 -7.3366800000e-01 -1.2184470000e+00  4.5711300000e-01 -7.0761700000e-01 -1.8934040000e+00  1.1353360000e+00 -1.0168590000e+00 -1.6813610000e+00 -3.3139600000e-01
-ENERGY -1.526609884003e+02
-FORCES -1.6561000000e-03 -5.6579000000e-03  5.7978000000e-03 -1.7266000000e-03 -3.8870000000e-04 -2.1922000000e-03  3.6774000000e-03  7.2973000000e-03 -4.7417000000e-03 -1.1086000000e-03 -5.4959000000e-03  5.9550000000e-04 -6.9780000000e-04  2.1245000000e-03 -3.5536000000e-03  1.5117000000e-03  2.1208000000e-03  4.0943000000e-03
-
-JOB 32
-COORDS -2.1706600000e-01  2.4479300000e-01 -1.4970200000e+00  4.6285400000e-01 -2.3140900000e-01 -1.9736450000e+00 -6.3048000000e-02  1.1642650000e+00 -1.7140010000e+00  1.3686000000e-01 -2.3792500000e-01  1.5868720000e+00  6.2652600000e-01 -1.0599060000e+00  1.6152760000e+00  1.9906800000e-01  4.7097000000e-02  6.7521200000e-01
-ENERGY -1.526595811734e+02
-FORCES  1.4390000000e-03  1.8862000000e-03 -6.6358000000e-03 -2.8749000000e-03  2.3728000000e-03  3.4208000000e-03 -1.1010000000e-04 -4.9202000000e-03  1.9249000000e-03  2.0400000000e-05 -1.6731000000e-03 -7.9032000000e-03 -1.2933000000e-03  2.6986000000e-03 -2.2270000000e-04  2.8189000000e-03 -3.6420000000e-04  9.4159000000e-03
-
-JOB 33
-COORDS -2.4239300000e-01  1.0760920000e+00  1.1108170000e+00  6.7559900000e-01  1.1008560000e+00  1.3808330000e+00 -6.4801200000e-01  4.3783700000e-01  1.6976180000e+00  2.6610700000e-01 -1.0814150000e+00 -1.1448800000e+00 -1.3735300000e-01 -4.2511300000e-01 -5.7679700000e-01 -2.7731100000e-01 -1.0834300000e+00 -1.9328670000e+00
-ENERGY -1.526605527427e+02
-FORCES  3.4906000000e-03  4.0590000000e-04  6.6888000000e-03 -4.9444000000e-03 -3.4120000000e-04 -1.1251000000e-03  2.0322000000e-03  2.2662000000e-03 -4.5954000000e-03 -3.6395000000e-03  5.6753000000e-03  1.0509000000e-03  1.4568000000e-03 -8.2236000000e-03 -5.0816000000e-03  1.6044000000e-03  2.1750000000e-04  3.0624000000e-03
-
-JOB 34
-COORDS -7.0253100000e-01 -1.3162540000e+00  3.8861500000e-01 -9.3352600000e-01 -1.3113540000e+00  1.3175120000e+00 -1.5435090000e+00 -1.2928820000e+00 -6.7940000000e-02  8.0592400000e-01  1.3667780000e+00 -4.0656200000e-01  7.8082900000e-01  5.5780600000e-01  1.0448200000e-01  8.3104000000e-02  1.2805160000e+00 -1.0281110000e+00
-ENERGY -1.526586068319e+02
-FORCES -5.9873000000e-03 -1.2050000000e-03  1.8090000000e-03  1.5422000000e-03  5.2690000000e-04 -4.5244000000e-03  3.8701000000e-03  3.0970000000e-04  1.9872000000e-03 -4.9190000000e-03 -7.9478000000e-03  4.7600000000e-05  3.5066000000e-03  6.4061000000e-03 -3.0820000000e-04  1.9873000000e-03  1.9102000000e-03  9.8870000000e-04
-
-JOB 35
-COORDS  1.1856570000e+00 -4.5665000000e-02  1.0589260000e+00  2.0659190000e+00  1.2379400000e-01  7.2328600000e-01  6.6889700000e-01  7.0542100000e-01  7.6727400000e-01 -1.1400270000e+00  1.5958000000e-02 -1.0301920000e+00 -1.5217480000e+00 -7.3279500000e-01 -1.4883300000e+00 -1.8514050000e+00  3.5172600000e-01 -4.8481800000e-01
-ENERGY -1.526544000323e+02
-FORCES -1.2299000000e-03  3.1868000000e-03 -6.2643000000e-03 -3.0623000000e-03 -8.5310000000e-04  1.4063000000e-03  2.7233000000e-03 -7.4810000000e-04  4.4859000000e-03 -3.4648000000e-03 -4.6348000000e-03  7.2390000000e-04  9.3390000000e-04  3.4727000000e-03  1.3965000000e-03  4.0998000000e-03 -4.2350000000e-04 -1.7484000000e-03
-
-JOB 36
-COORDS  9.0803500000e-01 -3.8943500000e-01 -1.3009830000e+00  1.4710610000e+00  3.0573000000e-01 -9.6042700000e-01  6.5833000000e-02  3.8205000000e-02 -1.4560660000e+00 -8.8136800000e-01  3.3682400000e-01  1.3586380000e+00 -9.9910700000e-01 -5.1457600000e-01  9.3734600000e-01 -9.6868400000e-01  9.7089100000e-01  6.4690300000e-01
-ENERGY -1.526532203034e+02
-FORCES  4.1090000000e-04  5.2353000000e-03  1.9661000000e-03 -2.6428000000e-03 -2.6871000000e-03 -2.5874000000e-03  2.0053000000e-03 -1.7764000000e-03  2.3705000000e-03  7.2120000000e-04 -2.9012000000e-03 -5.1696000000e-03 -1.4640000000e-03  4.4010000000e-03  2.0495000000e-03  9.6940000000e-04 -2.2717000000e-03  1.3709000000e-03
-
-JOB 37
-COORDS  2.0426500000e-01 -1.1947100000e+00 -9.9387300000e-01  1.0082040000e+00 -1.7133580000e+00 -1.0241550000e+00 -4.9954900000e-01 -1.8433750000e+00 -9.8328600000e-01 -2.4653200000e-01  1.2731940000e+00  1.0556880000e+00 -1.2263500000e-01  1.7972150000e+00  2.6430800000e-01  2.2732600000e-01  4.5993100000e-01  8.8163600000e-01
-ENERGY -1.526586687142e+02
-FORCES -1.4631000000e-03 -6.0057000000e-03 -2.0275000000e-03 -3.6379000000e-03  2.9024000000e-03  1.0357000000e-03  3.8277000000e-03  2.4345000000e-03 -2.9500000000e-04  2.2553000000e-03 -4.1025000000e-03 -7.1835000000e-03 -5.1750000000e-04 -2.1270000000e-04  3.4909000000e-03 -4.6450000000e-04  4.9840000000e-03  4.9795000000e-03
-
-JOB 38
-COORDS  1.5307550000e+00  3.2951100000e-01  2.2384200000e-01  1.3293980000e+00  1.2000120000e+00 -1.1954400000e-01  2.4432450000e+00  1.7925100000e-01 -2.3172000000e-02 -1.6231850000e+00 -3.9285200000e-01 -1.6626900000e-01 -8.8781600000e-01 -3.9400000000e-03  3.0724100000e-01 -1.3557550000e+00 -3.7050700000e-01 -1.0850800000e+00
-ENERGY -1.526571811535e+02
-FORCES  5.8063000000e-03  1.7678000000e-03 -1.9367000000e-03 -1.0272000000e-03 -4.9914000000e-03  1.5066000000e-03 -3.8769000000e-03  1.4463000000e-03  7.1700000000e-04  7.5681000000e-03 -8.5600000000e-05 -1.0290000000e-03 -6.3555000000e-03  1.2946000000e-03 -1.8376000000e-03 -2.1149000000e-03  5.6840000000e-04  2.5796000000e-03
-
-JOB 39
-COORDS -1.3714850000e+00  9.0977400000e-01 -4.0237800000e-01 -9.3953300000e-01  9.7728000000e-02 -6.6738800000e-01 -7.2932200000e-01  1.3534090000e+00  1.5174000000e-01  1.2485250000e+00 -8.9611100000e-01  3.6221900000e-01  2.0463690000e+00 -8.6774400000e-01 -1.6586500000e-01  1.5507940000e+00 -7.6505000000e-01  1.2609340000e+00
-ENERGY -1.526584170223e+02
-FORCES  7.3712000000e-03 -4.0241000000e-03  2.2905000000e-03 -4.6932000000e-03  3.7803000000e-03 -1.6861000000e-03 -3.3099000000e-03  7.3760000000e-04 -1.3393000000e-03  5.4552000000e-03 -6.9580000000e-04  2.5642000000e-03 -3.8096000000e-03  1.7730000000e-04  2.4396000000e-03 -1.0138000000e-03  2.4700000000e-05 -4.2689000000e-03
-
-JOB 40
-COORDS  5.0760500000e-01  2.9009300000e-01  1.4653820000e+00  1.2760840000e+00  6.8664300000e-01  1.8757730000e+00 -2.0971100000e-01  4.7285100000e-01  2.0722510000e+00 -5.5952200000e-01 -3.4098300000e-01 -1.5688600000e+00 -5.9360000000e-01  3.8227900000e-01 -9.4279000000e-01  2.7997200000e-01 -7.6762000000e-01 -1.3972130000e+00
-ENERGY -1.526581677178e+02
-FORCES  4.7870000000e-04  1.6046000000e-03  5.9864000000e-03 -3.5039000000e-03 -1.9112000000e-03 -1.8646000000e-03  3.3385000000e-03 -1.1800000000e-04 -3.0893000000e-03  4.9491000000e-03  1.2604000000e-03  7.0274000000e-03 -2.5817000000e-03 -1.4125000000e-03 -4.9715000000e-03 -2.6807000000e-03  5.7670000000e-04 -3.0884000000e-03
-
-JOB 41
-COORDS  2.3205900000e-01 -5.0647000000e-01  1.5187170000e+00  1.1262110000e+00 -3.0918600000e-01  1.7976490000e+00 -3.0916200000e-01  1.3865600000e-01  1.9738260000e+00 -3.0245500000e-01  4.4198300000e-01 -1.5639050000e+00  1.8001200000e-01  1.0812340000e+00 -2.0881340000e+00  2.6864900000e-01  2.6449600000e-01 -8.1652900000e-01
-ENERGY -1.526579696421e+02
-FORCES -6.9520000000e-04  2.0303000000e-03  6.6287000000e-03 -4.0936000000e-03 -1.3740000000e-04 -3.0172000000e-03  3.3640000000e-03 -2.8735000000e-03 -1.9440000000e-03  3.7569000000e-03 -4.0220000000e-04  3.3253000000e-03 -1.4957000000e-03 -2.3496000000e-03  2.6910000000e-03 -8.3650000000e-04  3.7324000000e-03 -7.6838000000e-03
-
-JOB 42
-COORDS  1.4018450000e+00 -8.0644400000e-01 -5.4549500000e-01  6.4847100000e-01 -4.6011700000e-01 -6.7252000000e-02  1.4586350000e+00 -2.6193600000e-01 -1.3306820000e+00 -1.3763440000e+00  6.9511900000e-01  5.4038500000e-01 -1.1581020000e+00  1.4800550000e+00  3.7913000000e-02 -1.3930510000e+00  9.8996200000e-01  1.4508900000e+00
-ENERGY -1.526588612894e+02
-FORCES -5.8876000000e-03  3.4253000000e-03 -1.4110000000e-04  8.0587000000e-03 -2.2379000000e-03 -3.1025000000e-03 -4.7600000000e-05 -1.3945000000e-03  2.7766000000e-03 -2.9674000000e-03  6.1232000000e-03  3.0013000000e-03  4.4500000000e-04 -4.6295000000e-03  2.0673000000e-03  3.9890000000e-04 -1.2867000000e-03 -4.6016000000e-03
-
-JOB 43
-COORDS -9.6926200000e-01  3.9783000000e-01  1.2588300000e+00 -1.7123850000e+00  8.8167200000e-01  1.6192420000e+00 -3.4201100000e-01  1.0750740000e+00  1.0055920000e+00  1.0132300000e+00 -4.8327500000e-01 -1.2138440000e+00  1.2271230000e+00  8.9635000000e-02 -1.9502240000e+00  1.0812200000e-01 -7.5096800000e-01 -1.3730610000e+00
-ENERGY -1.526561773164e+02
-FORCES  1.6726000000e-03  4.6753000000e-03  9.0350000000e-04  3.1491000000e-03 -2.0153000000e-03 -2.0218000000e-03 -4.5665000000e-03 -1.4217000000e-03  2.0653000000e-03 -4.0778000000e-03 -7.8620000000e-04 -3.2365000000e-03 -1.0803000000e-03 -1.6401000000e-03  3.6549000000e-03  4.9030000000e-03  1.1880000000e-03 -1.3656000000e-03
-
-JOB 44
-COORDS  5.3671300000e-01 -4.9241700000e-01 -1.4537630000e+00  1.0623920000e+00 -1.0612910000e+00 -8.9137900000e-01  1.0968730000e+00 -3.1888300000e-01 -2.2102940000e+00 -6.1677300000e-01  4.6151600000e-01  1.4835530000e+00 -1.0385700000e+00  1.3032270000e+00  1.6562990000e+00  1.2540300000e-01  6.7647100000e-01  9.1857400000e-01
-ENERGY -1.526559020287e+02
-FORCES  3.6150000000e-03 -4.0215000000e-03 -2.4188000000e-03 -1.7629000000e-03  4.3304000000e-03 -2.0449000000e-03 -2.6225000000e-03 -5.5270000000e-04  3.5798000000e-03  7.1970000000e-04  4.1786000000e-03 -4.5648000000e-03  1.6373000000e-03 -3.0544000000e-03 -4.1360000000e-04 -1.5866000000e-03 -8.8040000000e-04  5.8624000000e-03
-
-JOB 45
-COORDS -3.8409900000e-01  1.4014730000e+00  6.9753500000e-01  2.0550800000e-01  1.6507280000e+00  1.4092000000e+00 -1.1014820000e+00  2.0331870000e+00  7.4784000000e-01  4.1683200000e-01 -1.4312080000e+00 -6.9440100000e-01  3.0208000000e-01 -2.3436290000e+00 -9.6001500000e-01  6.9650000000e-03 -9.2393000000e-01 -1.3950510000e+00
-ENERGY -1.526536670279e+02
-FORCES  6.5150000000e-04  2.6238000000e-03  4.4613000000e-03 -2.8417000000e-03 -1.9880000000e-04 -2.8144000000e-03  2.8656000000e-03 -3.0649000000e-03 -7.9810000000e-04 -3.0688000000e-03  6.3410000000e-04 -3.6179000000e-03  3.5700000000e-04  3.8309000000e-03  1.4984000000e-03  2.0365000000e-03 -3.8252000000e-03  1.2708000000e-03
-
-JOB 46
-COORDS -5.1199800000e-01  1.6772710000e+00  1.2358800000e-01 -8.6672300000e-01  9.7500700000e-01 -4.2159800000e-01 -2.6425700000e-01  1.2448160000e+00  9.4080200000e-01  5.1892200000e-01 -1.6743470000e+00 -1.2669000000e-01  9.5404500000e-01 -9.5049100000e-01  3.2379100000e-01  4.7247000000e-02 -1.2588950000e+00 -8.4860000000e-01
-ENERGY -1.526530820745e+02
-FORCES -2.6412000000e-03 -3.9885000000e-03  2.3169000000e-03  3.2342000000e-03  1.8910000000e-03  1.0689000000e-03  7.0390000000e-04  1.4431000000e-03 -4.3679000000e-03  1.9566000000e-03  4.2445000000e-03 -2.4263000000e-03 -3.4702000000e-03 -2.9808000000e-03 -5.8200000000e-04  2.1670000000e-04 -6.0930000000e-04  3.9903000000e-03
-
-JOB 47
-COORDS  1.5070730000e+00  5.4289900000e-01 -6.6982700000e-01  1.5922940000e+00  5.0819100000e-01  2.8293900000e-01  7.9114800000e-01  1.1591590000e+00 -8.2444500000e-01 -1.4295860000e+00 -5.9316000000e-01  6.7607100000e-01 -2.1265350000e+00 -1.1093370000e+00  2.7103300000e-01 -1.4138940000e+00  2.2296800000e-01  1.7615000000e-01
-ENERGY -1.526530025922e+02
-FORCES -2.7136000000e-03  5.9840000000e-04  4.5904000000e-03  4.8880000000e-04  1.4807000000e-03 -4.4731000000e-03  1.2545000000e-03 -2.5843000000e-03  6.2290000000e-04 -2.4546000000e-03 -1.2340000000e-04 -4.9465000000e-03  2.7221000000e-03  2.3569000000e-03  1.8114000000e-03  7.0280000000e-04 -1.7284000000e-03  2.3948000000e-03
-
-JOB 48
-COORDS  2.5335500000e-01  9.9154200000e-01  1.3812710000e+00  9.5730700000e-01  1.6232810000e+00  1.5282010000e+00  1.9907400000e-01  9.0985900000e-01  4.2910800000e-01 -2.3327700000e-01 -9.6775700000e-01 -1.3629080000e+00 -3.0440000000e-01 -1.5097220000e+00 -5.7713000000e-01 -9.9202800000e-01 -1.2124330000e+00 -1.8926840000e+00
-ENERGY -1.526591696733e+02
-FORCES  2.3877000000e-03  2.1735000000e-03 -4.6613000000e-03 -2.6801000000e-03 -2.2760000000e-03 -6.7050000000e-04  8.1610000000e-04  1.7318000000e-03  7.2688000000e-03 -3.9247000000e-03 -5.2943000000e-03  2.4300000000e-05  1.2220000000e-04  3.0272000000e-03 -4.2736000000e-03  3.2788000000e-03  6.3770000000e-04  2.3124000000e-03
-
-JOB 49
-COORDS -4.4286000000e-02 -1.5808900000e-01  1.7340480000e+00 -6.4068200000e-01 -9.0586300000e-01  1.6969140000e+00 -5.3678300000e-01  5.6151300000e-01  1.3392690000e+00  1.4379000000e-01  2.0701300000e-01 -1.6722970000e+00 -4.6469300000e-01 -4.4953300000e-01 -1.3332860000e+00  2.1774700000e-01  6.5700000000e-03 -2.6053480000e+00
-ENERGY -1.526536329993e+02
-FORCES -3.2435000000e-03  1.4468000000e-03 -1.6086000000e-03  2.4410000000e-03  2.9281000000e-03 -1.1167000000e-03  1.0159000000e-03 -4.1371000000e-03  2.4295000000e-03 -9.4000000000e-04 -4.2509000000e-03 -2.3100000000e-03  9.5140000000e-04  3.3643000000e-03 -1.5390000000e-03 -2.2490000000e-04  6.4880000000e-04  4.1447000000e-03
-
-JOB 50
-COORDS -1.3218840000e+00 -9.2006000000e-02  1.2291330000e+00 -1.1290400000e+00  6.6725100000e-01  6.7906800000e-01 -1.8560620000e+00 -6.6064700000e-01  6.7457600000e-01  1.3900320000e+00  5.4617000000e-02 -1.1800840000e+00  5.1323000000e-01 -2.5095500000e-01 -1.4126280000e+00  1.2534390000e+00  9.3823200000e-01 -8.3832800000e-01
-ENERGY -1.526519489994e+02
-FORCES -1.3882000000e-03  3.0670000000e-04 -3.5671000000e-03 -1.6820000000e-04 -3.0766000000e-03  1.2147000000e-03  2.7451000000e-03  2.7043000000e-03  1.7871000000e-03 -3.6549000000e-03  1.4621000000e-03  1.6947000000e-03  2.9278000000e-03  2.0216000000e-03  5.0010000000e-04 -4.6160000000e-04 -3.4181000000e-03 -1.6295000000e-03
-
-JOB 51
-COORDS -7.0385500000e-01 -1.5666520000e+00 -4.0010400000e-01  2.2303400000e-01 -1.7710060000e+00 -5.2398700000e-01 -1.1601880000e+00 -2.1377110000e+00 -1.0180720000e+00  6.1476200000e-01  1.6001290000e+00  4.0666000000e-01  9.6271400000e-01  1.1313750000e+00  1.1652310000e+00  1.2338770000e+00  2.3156760000e+00  2.6201700000e-01
-ENERGY -1.526529850560e+02
-FORCES  2.1190000000e-03 -1.9138000000e-03 -3.8467000000e-03 -3.6481000000e-03 -8.2900000000e-05  1.2456000000e-03  1.8211000000e-03  2.3634000000e-03  2.5301000000e-03  2.9863000000e-03  7.6410000000e-04  3.2306000000e-03 -5.5850000000e-04  2.0826000000e-03 -3.4057000000e-03 -2.7198000000e-03 -3.2134000000e-03  2.4590000000e-04
-
-JOB 52
-COORDS -9.8918000000e-01 -1.5180560000e+00  3.3261000000e-02 -2.8636900000e-01 -1.2538340000e+00 -5.6043600000e-01 -1.5194790000e+00 -2.1283240000e+00 -4.7917300000e-01  1.0035520000e+00  1.4996900000e+00  4.5200000000e-04  6.5298000000e-02  1.6559960000e+00  1.0759700000e-01  1.4203400000e+00  2.1266830000e+00  5.9155200000e-01
-ENERGY -1.526568130887e+02
-FORCES  2.0472000000e-03 -1.8276000000e-03 -4.3588000000e-03 -4.8586000000e-03 -2.0085000000e-03  1.9855000000e-03  2.1648000000e-03  2.5617000000e-03  2.0328000000e-03 -2.1639000000e-03  3.4808000000e-03  4.0971000000e-03  4.6225000000e-03 -6.1200000000e-05 -1.2899000000e-03 -1.8120000000e-03 -2.1453000000e-03 -2.4667000000e-03
-
-JOB 53
-COORDS  4.8083100000e-01 -3.6661900000e-01  1.7296650000e+00  1.0790490000e+00 -1.1131630000e+00  1.7619220000e+00  1.0001830000e+00  3.4073300000e-01  1.3473590000e+00 -6.0527800000e-01  3.4179100000e-01 -1.7198570000e+00 -4.2250000000e-02  8.0952300000e-01 -2.3366700000e+00 -8.6539000000e-02  2.8438700000e-01 -9.1745600000e-01
-ENERGY -1.526544370938e+02
-FORCES  5.1714000000e-03 -1.1810000000e-03  1.9017000000e-03 -2.6469000000e-03  3.7550000000e-03 -3.4530000000e-04 -3.5409000000e-03 -3.6319000000e-03 -1.0656000000e-03  3.2809000000e-03  7.4200000000e-04  1.7678000000e-03 -1.9660000000e-03 -1.9384000000e-03  3.0032000000e-03 -2.9850000000e-04  2.2543000000e-03 -5.2618000000e-03
-
-JOB 54
-COORDS  1.3250900000e-01  6.4177900000e-01  1.7061530000e+00  7.8180000000e-01  6.9517000000e-02  1.2972900000e+00  4.1531000000e-01  7.1266900000e-01  2.6178710000e+00 -1.6633400000e-01 -6.6996800000e-01 -1.7392270000e+00  1.6515300000e-01  7.1206000000e-02 -2.2461880000e+00 -8.6026600000e-01 -2.9745700000e-01 -1.1952370000e+00
-ENERGY -1.526573399985e+02
-FORCES  4.2294000000e-03 -2.3896000000e-03  2.4788000000e-03 -2.9712000000e-03  3.2653000000e-03  2.8316000000e-03 -8.5460000000e-04 -3.7050000000e-04 -3.7385000000e-03 -2.8393000000e-03  5.0276000000e-03 -2.8690000000e-04 -9.9310000000e-04 -3.2138000000e-03  2.0011000000e-03  3.4289000000e-03 -2.3189000000e-03 -3.2861000000e-03
-
-JOB 55
-COORDS -1.2268270000e+00  4.5719400000e-01 -1.3221070000e+00 -1.7028010000e+00  6.9275100000e-01 -5.2574500000e-01 -1.8849520000e+00  4.9793900000e-01 -2.0159680000e+00  1.2972980000e+00 -4.4437500000e-01  1.3628860000e+00  1.7191930000e+00 -1.2456970000e+00  1.0528540000e+00  6.4525400000e-01 -2.4149000000e-01  6.9213500000e-01
-ENERGY -1.526568250683e+02
-FORCES -6.0214000000e-03  1.8319000000e-03 -1.6459000000e-03  3.3230000000e-03 -1.7992000000e-03 -3.0262000000e-03  2.4233000000e-03  7.7800000000e-05  3.1007000000e-03 -8.5590000000e-04 -2.3344000000e-03 -5.6470000000e-03 -1.3089000000e-03  2.8881000000e-03  1.6879000000e-03  2.4399000000e-03 -6.6430000000e-04  5.5305000000e-03
-
-JOB 56
-COORDS -6.8691800000e-01  1.5074580000e+00 -1.0164710000e+00 -1.1615950000e+00  7.1830900000e-01 -7.5540300000e-01 -3.2457800000e-01  1.2959760000e+00 -1.8768300000e+00  6.6847000000e-01 -1.4148260000e+00  1.0883410000e+00  1.4974410000e+00 -1.8896770000e+00  1.1479600000e+00  2.6758100000e-01 -1.7324960000e+00  2.7926400000e-01
-ENERGY -1.526528006386e+02
-FORCES -1.0000000000e-06 -4.0021000000e-03 -1.1579000000e-03  1.5730000000e-03  2.6919000000e-03 -2.2486000000e-03 -1.5162000000e-03  5.4360000000e-04  3.4595000000e-03  2.8510000000e-03 -3.0282000000e-03 -2.7128000000e-03 -3.5579000000e-03  1.8602000000e-03 -2.6360000000e-04  6.5110000000e-04  1.9347000000e-03  2.9234000000e-03
-
-JOB 57
-COORDS  6.5409600000e-01  1.8186270000e+00  1.3372500000e-01  2.8400000000e-01  1.9979340000e+00 -7.3063000000e-01  1.5169080000e+00  1.4457730000e+00 -4.7292000000e-02 -7.0188400000e-01 -1.7782620000e+00 -1.1721300000e-01  1.3725000000e-01 -1.6150470000e+00  3.1342300000e-01 -1.0921270000e+00 -2.4958750000e+00  3.8175900000e-01
-ENERGY -1.526543462688e+02
-FORCES  8.3810000000e-04 -4.8660000000e-04 -5.1005000000e-03  2.1645000000e-03  1.9100000000e-05  3.6139000000e-03 -3.5087000000e-03  7.2890000000e-04  1.2827000000e-03  1.6001000000e-03 -1.2359000000e-03  4.7000000000e-03 -2.6787000000e-03 -1.8667000000e-03 -2.4186000000e-03  1.5847000000e-03  2.8413000000e-03 -2.0775000000e-03
-
-JOB 58
-COORDS -8.0145500000e-01  1.2415610000e+00 -1.2803660000e+00  8.7280000000e-02  1.4056040000e+00 -9.6497600000e-01 -1.0000820000e+00  1.9925650000e+00 -1.8396280000e+00  7.2739200000e-01 -1.3040850000e+00  1.3362940000e+00  1.6354700000e+00 -1.5765380000e+00  1.2044060000e+00  5.7867400000e-01 -6.3377200000e-01  6.6936500000e-01
-ENERGY -1.526536382293e+02
-FORCES  1.6602000000e-03  5.3708000000e-03 -2.1241000000e-03 -3.3964000000e-03 -2.8665000000e-03 -1.8960000000e-04  9.0720000000e-04 -3.2227000000e-03  2.3290000000e-03  1.9328000000e-03  9.9910000000e-04 -3.7080000000e-03 -3.6960000000e-03  1.4437000000e-03  5.2360000000e-04  2.5922000000e-03 -1.7244000000e-03  3.1693000000e-03
-
-JOB 59
-COORDS -1.6970640000e+00  2.3660900000e-01 -1.0622460000e+00 -1.4034050000e+00 -1.5593300000e-01 -1.8843810000e+00 -1.3437950000e+00 -3.3739800000e-01 -3.8257800000e-01  1.6021060000e+00 -2.0905600000e-01  1.0440180000e+00  2.1994610000e+00 -5.9897100000e-01  1.6822690000e+00  1.9718630000e+00  6.5578900000e-01  8.6638200000e-01
-ENERGY -1.526565100087e+02
-FORCES  3.7677000000e-03 -4.2996000000e-03  4.0690000000e-04 -1.4354000000e-03  1.6919000000e-03  2.7867000000e-03 -3.4204000000e-03  2.2174000000e-03 -3.6485000000e-03  4.5315000000e-03  2.6693000000e-03  2.1707000000e-03 -2.4249000000e-03  1.6727000000e-03 -2.7049000000e-03 -1.0185000000e-03 -3.9517000000e-03  9.8910000000e-04
-
-JOB 60
-COORDS  8.2660100000e-01  9.6422500000e-01 -1.5214830000e+00  1.5487380000e+00  9.1430400000e-01 -8.9517800000e-01  7.4441000000e-01  1.8971830000e+00 -1.7191320000e+00 -8.7476100000e-01 -1.0798660000e+00  1.5378180000e+00 -1.3704070000e+00 -2.6222400000e-01  1.5828650000e+00 -2.0294600000e-01 -9.1708900000e-01  8.7570000000e-01
-ENERGY -1.526555573446e+02
-FORCES  3.3791000000e-03  4.8357000000e-03 -9.0000000000e-05 -4.1706000000e-03 -5.5210000000e-04 -1.8379000000e-03  4.2970000000e-04 -4.0374000000e-03  9.8550000000e-04  1.8400000000e-04  4.2244000000e-03 -4.1774000000e-03  1.8303000000e-03 -3.2108000000e-03  7.1970000000e-04 -1.6524000000e-03 -1.2598000000e-03  4.4001000000e-03
-
-JOB 61
-COORDS -3.3005100000e-01 -1.7907750000e+00  7.2409400000e-01 -8.5123300000e-01 -2.3088520000e+00  1.1074500000e-01 -5.7243600000e-01 -2.1256360000e+00  1.5874300000e+00  3.9793900000e-01  1.8689710000e+00 -7.8910400000e-01 -3.8879200000e-01  2.1118700000e+00 -3.0096000000e-01  7.3768100000e-01  1.1008750000e+00 -3.2993600000e-01
-ENERGY -1.526567678945e+02
-FORCES -3.3881000000e-03 -4.7177000000e-03  8.9410000000e-04  2.0949000000e-03  2.0478000000e-03  2.9510000000e-03  8.7110000000e-04  1.5026000000e-03 -3.6753000000e-03 -1.9698000000e-03 -3.6830000000e-03  4.4004000000e-03  2.8424000000e-03 -1.2270000000e-04 -2.0703000000e-03 -4.5050000000e-04  4.9730000000e-03 -2.4998000000e-03
-
-JOB 62
-COORDS -9.4589500000e-01 -4.3457900000e-01  1.8540770000e+00 -1.2347110000e+00 -1.0960700000e-01  2.7068440000e+00 -1.7206560000e+00 -8.5708400000e-01  1.4833120000e+00  1.0602030000e+00  4.3371400000e-01 -1.8672150000e+00  4.1584900000e-01  9.4183600000e-01 -1.3744150000e+00  5.5532100000e-01  2.0906000000e-02 -2.5678690000e+00
-ENERGY -1.526542829616e+02
-FORCES -4.1114000000e-03 -1.1092000000e-03  2.7527000000e-03  1.1496000000e-03 -1.3064000000e-03 -3.6883000000e-03  3.1548000000e-03  2.1589000000e-03  1.1902000000e-03 -4.7371000000e-03  2.0530000000e-04  4.7130000000e-04  2.6189000000e-03 -1.5381000000e-03 -3.3866000000e-03  1.9252000000e-03  1.5895000000e-03  2.6606000000e-03
-
-JOB 63
-COORDS  8.0728300000e-01  1.3699280000e+00 -1.4779760000e+00  4.1138500000e-01  1.1340670000e+00 -2.3169440000e+00  1.5287700000e+00  7.5015800000e-01 -1.3703920000e+00 -7.7384700000e-01 -1.2910230000e+00  1.5566110000e+00 -1.6386950000e+00 -1.5735330000e+00  1.8540290000e+00 -7.5449100000e-01 -1.5163380000e+00  6.2650900000e-01
-ENERGY -1.526536325385e+02
-FORCES  1.9485000000e-03 -2.7884000000e-03 -2.6343000000e-03  1.3629000000e-03  6.0120000000e-04  3.6966000000e-03 -3.3187000000e-03  2.2851000000e-03 -8.3050000000e-04 -3.6969000000e-03 -1.1312000000e-03 -2.8395000000e-03  3.5270000000e-03  1.0244000000e-03 -1.1897000000e-03  1.7720000000e-04  8.9000000000e-06  3.7975000000e-03
-
-JOB 64
-COORDS -2.1372400000e+00 -4.7106300000e-01  2.2951000000e-02 -2.1887500000e+00  3.9007700000e-01  4.3770100000e-01 -1.9144410000e+00 -1.0683790000e+00  7.3695800000e-01  2.1484530000e+00  3.9841400000e-01 -7.5583000000e-02  1.2624880000e+00  6.7987400000e-01 -3.0378700000e-01  2.6330780000e+00  1.2134940000e+00  5.4861000000e-02
-ENERGY -1.526549619291e+02
-FORCES -3.7750000000e-04 -1.8300000000e-05  5.1115000000e-03  1.0483000000e-03 -3.2808000000e-03 -2.1700000000e-03 -1.1326000000e-03  2.8429000000e-03 -3.0833000000e-03 -1.8570000000e-03  4.0890000000e-03 -1.2384000000e-03  4.4376000000e-03 -3.6910000000e-04  1.7587000000e-03 -2.1188000000e-03 -3.2637000000e-03 -3.7840000000e-04
-
-JOB 65
-COORDS  1.6771290000e+00 -1.6424380000e+00  4.5494100000e-01  7.2091200000e-01 -1.6029040000e+00  4.7275500000e-01  1.9350390000e+00 -9.4389400000e-01 -1.4651600000e-01 -1.6058830000e+00  1.6553050000e+00 -3.9267800000e-01 -1.8697210000e+00  8.0873900000e-01 -3.2196000000e-02 -1.8961890000e+00  1.6288990000e+00 -1.3044110000e+00
-ENERGY -1.526540550257e+02
-FORCES -2.5689000000e-03  3.7571000000e-03 -2.2733000000e-03  3.3305000000e-03 -5.1800000000e-04 -9.4100000000e-05 -8.9910000000e-04 -3.4292000000e-03  2.3183000000e-03 -3.3694000000e-03 -2.6878000000e-03 -2.2270000000e-03  1.9934000000e-03  2.9842000000e-03 -1.6425000000e-03  1.5136000000e-03 -1.0630000000e-04  3.9186000000e-03
-
-JOB 66
-COORDS  1.7551530000e+00  9.6212000000e-01  1.3018140000e+00  1.2192000000e+00  1.6907500000e-01  1.3100240000e+00  2.4426690000e+00  7.9381900000e-01  1.9461960000e+00 -1.8264180000e+00 -9.0709400000e-01 -1.3109570000e+00 -1.5308570000e+00 -1.3491550000e+00 -2.1068580000e+00 -1.0273100000e+00 -5.4879600000e-01 -9.2458900000e-01
-ENERGY -1.526539670560e+02
-FORCES  1.1131000000e-03 -3.6516000000e-03  3.7126000000e-03  1.7847000000e-03  3.2512000000e-03 -1.2959000000e-03 -2.8611000000e-03  7.1470000000e-04 -2.7499000000e-03  4.3823000000e-03  2.7070000000e-04 -2.3782000000e-03 -1.2733000000e-03  1.6616000000e-03  3.4000000000e-03 -3.1458000000e-03 -2.2465000000e-03 -6.8850000000e-04
-
-JOB 67
-COORDS -1.5600660000e+00  1.6938320000e+00  8.9684600000e-01 -1.6215760000e+00  1.2739410000e+00  3.8860000000e-02 -2.1072000000e+00  2.4755970000e+00  8.2121900000e-01  1.5712620000e+00 -1.7025490000e+00 -8.9693900000e-01  1.8929740000e+00 -2.5750020000e+00 -6.6987300000e-01  1.7500790000e+00 -1.1713630000e+00 -1.2099000000e-01
-ENERGY -1.526551370315e+02
-FORCES -2.6578000000e-03  1.3762000000e-03 -4.0666000000e-03  1.9020000000e-04  2.0621000000e-03  3.8335000000e-03  2.1766000000e-03 -3.1442000000e-03  3.2470000000e-04  2.1945000000e-03 -1.3977000000e-03  4.4055000000e-03 -1.2456000000e-03  3.5019000000e-03 -9.7170000000e-04 -6.5780000000e-04 -2.3982000000e-03 -3.5254000000e-03
-
-JOB 68
-COORDS  1.3470360000e+00  1.7693020000e+00  9.7085000000e-01  2.2814140000e+00  1.7575410000e+00  1.1782900000e+00  1.1891000000e+00  2.6476190000e+00  6.2466100000e-01 -1.4098730000e+00 -1.8696930000e+00 -9.0920200000e-01 -1.9222210000e+00 -1.7290630000e+00 -1.7054150000e+00 -6.6766400000e-01 -1.2710180000e+00 -9.9254900000e-01
-ENERGY -1.526547563972e+02
-FORCES  3.3166000000e-03  3.8984000000e-03  1.9460000000e-04 -3.8950000000e-03  7.0400000000e-05 -1.0432000000e-03  6.6280000000e-04 -3.7684000000e-03  1.1890000000e-03  1.3327000000e-03  3.5553000000e-03 -2.9425000000e-03  1.9736000000e-03 -6.0290000000e-04  3.0887000000e-03 -3.3908000000e-03 -3.1529000000e-03 -4.8660000000e-04
-
-JOB 69
-COORDS  1.5721500000e+00 -1.9771040000e+00 -2.8460700000e-01  6.5567900000e-01 -2.1671820000e+00 -8.4146000000e-02  1.5780520000e+00 -1.7862160000e+00 -1.2225610000e+00 -1.4892280000e+00  2.0329680000e+00  3.2294600000e-01 -2.3521740000e+00  1.7592430000e+00  1.2094000000e-02 -1.1278590000e+00  1.2535690000e+00  7.4506100000e-01
-ENERGY -1.526539239820e+02
-FORCES -3.1767000000e-03 -2.8880000000e-04 -3.5231000000e-03  3.4748000000e-03  1.3057000000e-03 -4.9330000000e-04 -1.6380000000e-04 -9.4330000000e-04  4.0277000000e-03 -1.7918000000e-03 -3.9520000000e-03  8.6590000000e-04  3.6567000000e-03  8.9690000000e-04  1.1479000000e-03 -1.9992000000e-03  2.9815000000e-03 -2.0251000000e-03
-
-JOB 70
-COORDS  1.0607600000e-01  2.4432130000e+00 -6.8882500000e-01  4.8658900000e-01  2.0833360000e+00 -1.4900310000e+00 -3.1690000000e-01  3.2553180000e+00 -9.6776700000e-01 -1.2041700000e-01 -2.4353310000e+00  8.0209300000e-01 -6.0411000000e-01 -2.5750940000e+00 -1.1995000000e-02  6.8231800000e-01 -2.9455880000e+00  6.9492200000e-01
-ENERGY -1.526533669015e+02
-FORCES -1.2900000000e-04  1.6917000000e-03 -4.1842000000e-03 -1.5804000000e-03  1.4853000000e-03  3.1084000000e-03  1.7211000000e-03 -3.3575000000e-03  1.1445000000e-03  1.2238000000e-03 -2.2207000000e-03 -3.6638000000e-03  2.0342000000e-03  3.6110000000e-04  3.2160000000e-03 -3.2696000000e-03  2.0401000000e-03  3.7920000000e-04
-
-JOB 71
-COORDS  1.4193100000e-01  1.4392460000e+00  2.1189710000e+00  9.5964700000e-01  1.8190570000e+00  2.4403990000e+00 -2.5238200000e-01  1.0310550000e+00  2.8897700000e+00 -2.0982700000e-01 -1.4471900000e+00 -2.1944850000e+00 -3.3255000000e-02 -7.2494200000e-01 -1.5916480000e+00  6.0045000000e-01 -1.9567200000e+00 -2.2024140000e+00
-ENERGY -1.526550962196e+02
-FORCES  1.3936000000e-03  2.2550000000e-04  5.0123000000e-03 -3.2989000000e-03 -1.7180000000e-03 -1.4562000000e-03  1.8031000000e-03  1.6940000000e-03 -3.1921000000e-03  3.8503000000e-03  1.3430000000e-03  2.9026000000e-03 -5.7430000000e-04 -3.4270000000e-03 -3.1847000000e-03 -3.1737000000e-03  1.8824000000e-03 -8.2000000000e-05
-
-JOB 72
-COORDS -1.3110990000e+00  1.9517560000e+00  1.4668960000e+00 -2.1100720000e+00  1.4699180000e+00  1.2531040000e+00 -7.0262300000e-01  1.7326560000e+00  7.6121600000e-01  1.3422410000e+00 -1.8493870000e+00 -1.3892900000e+00  1.9048140000e+00 -2.4715380000e+00 -1.8504530000e+00  4.8000000000e-01 -2.2649880000e+00 -1.3823330000e+00
-ENERGY -1.526545206111e+02
-FORCES -2.6020000000e-04 -2.9558000000e-03 -3.8596000000e-03  3.0638000000e-03  1.8781000000e-03  8.8130000000e-04 -2.9832000000e-03  1.1646000000e-03  3.0123000000e-03 -7.2910000000e-04 -4.6613000000e-03 -1.9110000000e-03 -2.4155000000e-03  2.5145000000e-03  1.8629000000e-03  3.3242000000e-03  2.0598000000e-03  1.4100000000e-05
-
-JOB 73
-COORDS  1.2681750000e+00  2.5244140000e+00 -3.0142100000e-01  1.6663540000e+00  2.7569440000e+00 -1.1402390000e+00  1.8595780000e+00  1.8709500000e+00  7.2021000000e-02 -1.3350360000e+00 -2.5510860000e+00  2.8606300000e-01 -8.0807900000e-01 -2.5992230000e+00  1.0837040000e+00 -1.5885250000e+00 -1.6303500000e+00  2.2110000000e-01
-ENERGY -1.526545192648e+02
-FORCES  4.3311000000e-03 -1.4234000000e-03 -2.1852000000e-03 -1.6281000000e-03 -9.4660000000e-04  3.5135000000e-03 -2.6693000000e-03  2.5254000000e-03 -1.3556000000e-03  8.3260000000e-04  3.7990000000e-03  2.9701000000e-03 -1.9451000000e-03  1.2840000000e-04 -3.2604000000e-03  1.0788000000e-03 -4.0828000000e-03  3.1770000000e-04
-
-JOB 74
-COORDS  1.7532100000e-01 -2.7720530000e+00 -8.4749200000e-01  4.1027500000e-01 -2.4880120000e+00  3.5882000000e-02  3.8689800000e-01 -3.7054370000e+00 -8.6368800000e-01 -1.6451600000e-01  2.7446940000e+00  8.2318100000e-01 -1.0716160000e+00  2.8261380000e+00  5.2861600000e-01  1.5724800000e-01  3.6453910000e+00  8.6120100000e-01
-ENERGY -1.526543118456e+02
-FORCES  1.9728000000e-03 -2.2196000000e-03  3.7005000000e-03 -1.0411000000e-03 -1.6278000000e-03 -3.6525000000e-03 -8.8380000000e-04  3.7353000000e-03  2.0000000000e-05 -2.4418000000e-03  3.9701000000e-03 -1.3890000000e-03  3.7021000000e-03 -2.1120000000e-04  1.3996000000e-03 -1.3083000000e-03 -3.6468000000e-03 -7.8500000000e-05
-
-JOB 75
-COORDS -2.2157700000e-01  2.1159700000e+00 -2.0954040000e+00 -1.7519800000e-01  1.9391430000e+00 -1.1558230000e+00 -2.2791800000e-01  3.0709770000e+00 -2.1598490000e+00  1.9068300000e-01 -2.1786280000e+00  2.0957580000e+00  4.8862200000e-01 -1.2997580000e+00  1.8611270000e+00  4.4912300000e-01 -2.7256440000e+00  1.3539950000e+00
-ENERGY -1.526539119241e+02
-FORCES -1.2650000000e-04  3.5313000000e-03  3.3851000000e-03  1.1250000000e-04  3.5800000000e-04 -3.6886000000e-03  7.7900000000e-05 -3.9798000000e-03  2.9860000000e-04  2.3361000000e-03  1.0129000000e-03 -4.1008000000e-03 -1.3522000000e-03 -3.2334000000e-03  9.4410000000e-04 -1.0477000000e-03  2.3109000000e-03  3.1616000000e-03
-
-JOB 76
-COORDS -1.7007210000e+00 -2.7076140000e+00  2.6850500000e-01 -2.2131600000e+00 -2.7978300000e+00 -5.3492400000e-01 -9.5422800000e-01 -2.1637030000e+00  1.7225000000e-02  1.7380450000e+00  2.6341830000e+00 -2.1762300000e-01  1.2377770000e+00  2.8574940000e+00  5.6729500000e-01  1.4131810000e+00  3.2349640000e+00 -8.8826200000e-01
-ENERGY -1.526544801552e+02
-FORCES  1.2242000000e-03  1.8439000000e-03 -4.3468000000e-03  1.9783000000e-03  3.7410000000e-04  3.2687000000e-03 -3.3043000000e-03 -2.3175000000e-03  1.0801000000e-03 -3.1650000000e-03  3.7135000000e-03  6.3410000000e-04  2.0030000000e-03 -1.0297000000e-03 -3.3334000000e-03  1.2638000000e-03 -2.5844000000e-03  2.6973000000e-03
-
-JOB 77
-COORDS  2.9772550000e+00 -1.1869800000e-01 -1.5548460000e+00  2.8245860000e+00  5.4866300000e-01 -2.2238390000e+00  2.5442930000e+00  2.2249200000e-01 -7.7230800000e-01 -2.9466080000e+00  7.6662000000e-02  1.4902480000e+00 -2.2429170000e+00 -2.4696700000e-01  2.0526670000e+00 -3.6719650000e+00  2.5136200000e-01  2.0898890000e+00
-ENERGY -1.526541850605e+02
-FORCES -2.6609000000e-03  4.1422000000e-03  3.1980000000e-04  7.7340000000e-04 -2.6998000000e-03  2.7193000000e-03  1.9238000000e-03 -1.4447000000e-03 -3.0140000000e-03 -3.2590000000e-04 -8.1680000000e-04  4.7879000000e-03 -2.7169000000e-03  1.4978000000e-03 -2.3631000000e-03  3.0066000000e-03 -6.7860000000e-04 -2.4499000000e-03
-
-JOB 78
-COORDS -5.6446500000e-01  1.4334730000e+00  3.0565400000e+00  3.5116200000e-01  1.5785370000e+00  3.2949000000e+00 -9.8497400000e-01  2.2827370000e+00  3.1912820000e+00  5.5364700000e-01 -1.4982800000e+00 -3.1349560000e+00  7.6035400000e-01 -2.0624280000e+00 -2.3898110000e+00  7.0240000000e-03 -8.0438200000e-01 -2.7662550000e+00
-ENERGY -1.526544898298e+02
-FORCES  1.9739000000e-03  4.1749000000e-03  1.8006000000e-03 -3.7456000000e-03 -6.5080000000e-04 -1.0856000000e-03  1.7390000000e-03 -3.4934000000e-03 -6.1990000000e-04 -1.5262000000e-03  5.4960000000e-04  4.7492000000e-03 -7.1610000000e-04  2.2091000000e-03 -3.1385000000e-03  2.2750000000e-03 -2.7894000000e-03 -1.7058000000e-03
-
-JOB 79
-COORDS -1.1367000000e+00 -3.2669020000e+00  1.2791900000e+00 -2.0165500000e-01 -3.0905530000e+00  1.3832290000e+00 -1.4716760000e+00 -2.5098830000e+00  7.9862300000e-01  1.0522310000e+00  3.1990280000e+00 -1.2281890000e+00  1.1945610000e+00  3.9289920000e+00 -1.8307890000e+00  1.8997910000e+00  2.7565160000e+00 -1.1828340000e+00
-ENERGY -1.526542980163e+02
-FORCES  2.3557000000e-03  4.0073000000e-03 -1.5388000000e-03 -3.7119000000e-03 -8.1720000000e-04 -4.1760000000e-04  1.3771000000e-03 -3.2510000000e-03  1.9641000000e-03  4.0673000000e-03  1.4574000000e-03 -2.3520000000e-03 -5.5610000000e-04 -3.0276000000e-03  2.4707000000e-03 -3.5320000000e-03  1.6312000000e-03 -1.2640000000e-04
-
-JOB 80
-COORDS  1.8059650000e+00 -9.9256800000e-01  3.0648760000e+00  1.0627960000e+00 -1.2749140000e+00  3.5979920000e+00  2.4914790000e+00 -1.6345870000e+00  3.2495750000e+00 -1.8084570000e+00  9.8494200000e-01 -3.1386960000e+00 -2.4593800000e+00  1.5168470000e+00 -2.6808670000e+00 -9.9875300000e-01  1.4918410000e+00 -3.0781550000e+00
-ENERGY -1.526541650839e+02
-FORCES -2.7610000000e-04 -3.8997000000e-03  2.8452000000e-03  3.0419000000e-03  1.2122000000e-03 -2.1189000000e-03 -2.7709000000e-03  2.6515000000e-03 -7.1690000000e-04  8.3660000000e-04  4.1827000000e-03  2.3281000000e-03  2.5468000000e-03 -2.1518000000e-03 -1.9277000000e-03 -3.3784000000e-03 -1.9950000000e-03 -4.0970000000e-04
-
-JOB 81
-COORDS  1.7974300000e-01 -3.8180890000e+00  9.7072600000e-01  1.0487830000e+00 -3.8874730000e+00  5.7552000000e-01 -3.0879400000e-01 -4.5567000000e+00  6.0738400000e-01 -2.3066800000e-01  3.8688450000e+00 -9.8624600000e-01  4.8233500000e-01  4.3931080000e+00 -6.2154500000e-01 -4.5447900000e-01  3.2509360000e+00 -2.9030800000e-01
-ENERGY -1.526542636498e+02
-FORCES  1.5186000000e-03 -3.3746000000e-03 -3.1693000000e-03 -3.5290000000e-03  3.2100000000e-04  1.6585000000e-03  2.0069000000e-03  3.0094000000e-03  1.5080000000e-03  1.9364000000e-03 -5.1270000000e-04  4.3971000000e-03 -2.8699000000e-03 -2.0922000000e-03 -1.5187000000e-03  9.3710000000e-04  2.6491000000e-03 -2.8756000000e-03
-
-JOB 82
-COORDS -5.6483600000e-01 -3.3616850000e+00  2.7485210000e+00 -2.5502700000e-01 -2.9010200000e+00  1.9687530000e+00 -1.4967160000e+00 -3.1488000000e+00  2.7986380000e+00  6.1132900000e-01  3.2627430000e+00 -2.6969550000e+00  1.3149600000e-01  3.6708420000e+00 -3.4176820000e+00  8.2335100000e-01  3.9876490000e+00 -2.1089170000e+00
-ENERGY -1.526542678399e+02
-FORCES -2.4838000000e-03  2.8141000000e-03 -3.0867000000e-03 -1.2878000000e-03 -1.9449000000e-03  3.2577000000e-03  3.7559000000e-03 -8.9600000000e-04 -1.4420000000e-04 -1.0047000000e-03  4.7115000000e-03 -6.1850000000e-04  1.9273000000e-03 -1.6893000000e-03  2.9677000000e-03 -9.0690000000e-04 -2.9953000000e-03 -2.3759000000e-03
-
-JOB 83
-COORDS  2.1267760000e+00  1.8579310000e+00 -3.2995460000e+00  1.2035490000e+00  2.0865260000e+00 -3.4073790000e+00  2.4892500000e+00  1.8995120000e+00 -4.1844840000e+00 -2.0281900000e+00 -1.8924620000e+00  3.3826090000e+00 -2.5731440000e+00 -1.1706450000e+00  3.6960360000e+00 -2.5144970000e+00 -2.2566910000e+00  2.6429650000e+00
-ENERGY -1.526539344602e+02
-FORCES -2.2460000000e-03  1.0831000000e-03 -4.0132000000e-03  3.7348000000e-03 -9.2990000000e-04  4.2760000000e-04 -1.4962000000e-03 -1.6580000000e-04  3.6085000000e-03 -4.1072000000e-03  1.4892000000e-03 -1.7799000000e-03  2.1847000000e-03 -2.9560000000e-03 -1.2736000000e-03  1.9300000000e-03  1.4794000000e-03  3.0307000000e-03
-
-JOB 84
-COORDS -3.5771930000e+00 -2.3039930000e+00  2.0837920000e+00 -3.6821470000e+00 -3.1102590000e+00  2.5889170000e+00 -4.2896670000e+00 -2.3265620000e+00  1.4449620000e+00  3.6566530000e+00  2.3937350000e+00 -2.0595140000e+00  3.1903510000e+00  2.2436800000e+00 -2.8818750000e+00  3.4390670000e+00  1.6347920000e+00 -1.5183180000e+00
-ENERGY -1.526541641320e+02
-FORCES -3.4109000000e-03 -3.3717000000e-03 -4.5870000000e-04  4.5050000000e-04  3.2848000000e-03 -2.0919000000e-03  2.9477000000e-03  8.9000000000e-05  2.5675000000e-03 -2.8803000000e-03 -3.7258000000e-03 -1.0506000000e-03  1.9320000000e-03  6.2600000000e-04  3.2976000000e-03  9.6090000000e-04  3.0977000000e-03 -2.2638000000e-03
-
-JOB 85
-COORDS  3.7309930000e+00 -2.7456950000e+00 -2.4875880000e+00  2.7778470000e+00 -2.6831800000e+00 -2.4256390000e+00  3.9062890000e+00 -3.6845540000e+00 -2.5512050000e+00 -3.7122170000e+00  2.7843560000e+00  2.5496320000e+00 -2.8066830000e+00  2.6783530000e+00  2.2580780000e+00 -4.1660600000e+00  3.1555250000e+00  1.7929990000e+00
-ENERGY -1.526540912132e+02
-FORCES -3.1336000000e-03 -3.6430000000e-03 -9.6000000000e-06  3.8679000000e-03 -1.9690000000e-04 -2.4600000000e-04 -7.2680000000e-04  3.8458000000e-03  2.5470000000e-04  1.8667000000e-03  1.1489000000e-03 -4.2469000000e-03 -3.7179000000e-03  3.9010000000e-04  1.1714000000e-03  1.8437000000e-03 -1.5451000000e-03  3.0764000000e-03
-
-JOB 86
-COORDS -3.3091190000e+00 -2.0466040000e+00  4.2017080000e+00 -2.9998090000e+00 -1.3620470000e+00  4.7949540000e+00 -2.8688450000e+00 -2.8416080000e+00  4.5023070000e+00  3.2273910000e+00  2.0467260000e+00 -4.2070880000e+00  4.1566200000e+00  2.2703100000e+00 -4.1544060000e+00  3.0659880000e+00  1.9100670000e+00 -5.1406320000e+00
-ENERGY -1.526540314715e+02
-FORCES  3.1155000000e-03 -4.1030000000e-04  3.5835000000e-03 -1.2881000000e-03 -2.8096000000e-03 -2.3821000000e-03 -1.8184000000e-03  3.2237000000e-03 -1.2014000000e-03  3.0921000000e-03  3.4230000000e-04 -3.6040000000e-03 -3.7812000000e-03 -9.1050000000e-04 -2.0330000000e-04  6.8010000000e-04  5.6450000000e-04  3.8073000000e-03
-
-JOB 87
-COORDS  5.6191940000e+00  2.9549330000e+00  8.5453300000e-01  5.4495170000e+00  3.4794900000e+00  1.6370170000e+00  5.3727820000e+00  3.5244590000e+00  1.2573100000e-01 -5.6379350000e+00 -3.0617180000e+00 -8.7077400000e-01 -5.1357070000e+00 -2.8832020000e+00 -7.5707000000e-02 -5.4413550000e+00 -2.3249120000e+00 -1.4493110000e+00
-ENERGY -1.526540763933e+02
-FORCES -1.6332000000e-03  4.4826000000e-03  2.2180000000e-04  6.6300000000e-04 -2.1506000000e-03 -3.1976000000e-03  9.7310000000e-04 -2.3361000000e-03  2.9756000000e-03  2.8846000000e-03  3.7110000000e-03  8.8240000000e-04 -2.0692000000e-03 -7.1480000000e-04 -3.2408000000e-03 -8.1830000000e-04 -2.9921000000e-03  2.3587000000e-03
-
-JOB 88
-COORDS -6.1943620000e+00  7.3247800000e-01  2.3265480000e+00 -6.1546240000e+00 -1.6626800000e-01  1.9995790000e+00 -7.0470340000e+00  1.0560980000e+00  2.0359400000e+00  6.2483370000e+00 -7.0229200000e-01 -2.3640750000e+00  5.4831860000e+00 -9.5296000000e-01 -1.8464450000e+00  6.8513940000e+00 -3.1565700000e-01 -1.7291980000e+00
-ENERGY -1.526541078184e+02
-FORCES -3.3445000000e-03 -2.3358000000e-03 -2.5260000000e-03 -1.4200000000e-04  3.6622000000e-03  1.3387000000e-03  3.4832000000e-03 -1.3240000000e-03  1.1885000000e-03 -6.7540000000e-04  5.7950000000e-04  4.7157000000e-03  3.1266000000e-03  1.0036000000e-03 -2.1218000000e-03 -2.4479000000e-03 -1.5855000000e-03 -2.5951000000e-03
-
-JOB 89
-COORDS  1.6471540000e+00 -5.2710730000e+00  3.9980140000e+00  1.7615690000e+00 -5.6704480000e+00  3.1356680000e+00  1.4473770000e+00 -6.0057610000e+00  4.5781460000e+00 -1.6965930000e+00  5.3035990000e+00 -4.0266440000e+00 -1.6593630000e+00  5.8627470000e+00 -3.2506300000e+00 -8.1528800000e-01  4.9375760000e+00 -4.1012130000e+00
-ENERGY -1.526541035750e+02
-FORCES -3.6630000000e-04 -4.6406000000e-03 -1.1480000000e-03 -4.5590000000e-04  1.6384000000e-03  3.5154000000e-03  8.2150000000e-04  2.9994000000e-03 -2.3656000000e-03  3.7486000000e-03  7.7230000000e-04  2.8937000000e-03 -1.5460000000e-04 -2.2672000000e-03 -3.1789000000e-03 -3.5933000000e-03  1.4977000000e-03  2.8340000000e-04
-
-JOB 0
-COORDS -1.1519120000e+00 -4.4100400000e-01  3.5095000000e-02 -1.2695730000e+00 -5.8817500000e-01 -9.0337600000e-01 -1.2190600000e+00 -1.3126200000e+00  4.2497800000e-01  1.2143060000e+00  4.7918500000e-01  3.0141000000e-02  1.1511070000e+00  1.2935240000e+00 -4.6894800000e-01  3.5989600000e-01  6.2354000000e-02 -8.1519000000e-02
-ENERGY -1.526539472871e+02
-FORCES  1.2778000000e-02  2.3169000000e-03  1.2155000000e-03  5.4998000000e-03  2.3390000000e-03  6.1558000000e-03  1.0878000000e-03  5.1536000000e-03 -3.5350000000e-03 -2.4682600000e-02 -7.2987000000e-03  1.8534000000e-03 -1.9861000000e-03 -3.2232000000e-03  3.0570000000e-04  7.3031000000e-03  7.1240000000e-04 -5.9954000000e-03
-
-JOB 1
-COORDS -8.9423900000e-01  8.4845600000e-01  1.1513000000e-02 -1.7990660000e+00  1.0583820000e+00  2.4270700000e-01 -6.6585400000e-01  1.4848100000e+00 -6.6607500000e-01  9.6471100000e-01 -9.3008400000e-01  7.5162000000e-02  1.0779410000e+00 -1.2765100000e+00 -8.0993600000e-01  4.0740200000e-01 -1.6012100000e-01 -3.7960000000e-02
-ENERGY -1.526542510253e+02
-FORCES  5.3554000000e-03 -1.0158100000e-02  2.5325000000e-03  4.3416000000e-03  1.3113000000e-03 -2.9681000000e-03  3.4580000000e-04 -6.0182000000e-03  3.4298000000e-03 -1.5120400000e-02  1.0498900000e-02 -3.9960000000e-04 -1.4187000000e-03  2.7467000000e-03  1.9475000000e-03  6.4962000000e-03  1.6193000000e-03 -4.5421000000e-03
-
-JOB 2
-COORDS  1.0836900000e-01  1.2629130000e+00 -4.0166800000e-01 -8.0289100000e-01  1.5159560000e+00 -5.4933800000e-01  2.2072300000e-01  4.6143500000e-01 -9.1278600000e-01 -2.8470000000e-03 -1.2425640000e+00  4.1734400000e-01 -5.1998600000e-01 -1.8329900000e+00  9.6524600000e-01 -6.0766900000e-01 -5.3722700000e-01  1.8729700000e-01
-ENERGY -1.526487851305e+02
-FORCES  1.8892000000e-03 -6.8294000000e-03 -1.0780000000e-03  3.6404000000e-03 -5.6191000000e-03  3.5143000000e-03 -7.2278000000e-03  4.8630000000e-04  6.9243000000e-03 -9.3930000000e-04  9.7401000000e-03  1.0766000000e-03  1.0747000000e-03  4.8937000000e-03 -1.7299000000e-03  1.5629000000e-03 -2.6716000000e-03 -8.7072000000e-03
-
-JOB 3
-COORDS -1.1077080000e+00  8.7822000000e-02  6.9192200000e-01 -9.0827300000e-01  3.6367400000e-01  1.5865520000e+00 -1.4939450000e+00 -7.8252800000e-01  7.8961600000e-01  1.1691280000e+00 -2.1706000000e-02 -7.5336600000e-01  2.8706900000e-01  3.0911700000e-01 -5.8377700000e-01  1.0449280000e+00 -9.5274700000e-01 -9.3767700000e-01
-ENERGY -1.526569325112e+02
-FORCES  8.0551000000e-03 -3.0505000000e-03  9.1250000000e-04 -2.1421000000e-03 -1.8680000000e-03 -3.8143000000e-03  2.4136000000e-03  3.6721000000e-03 -3.4150000000e-04 -1.4485900000e-02 -2.2144000000e-03  7.8708000000e-03  5.5014000000e-03  1.5705000000e-03 -5.0670000000e-03  6.5780000000e-04  1.8903000000e-03  4.3950000000e-04
-
-JOB 4
-COORDS -1.2897900000e-01 -1.2432440000e+00 -5.4772400000e-01 -9.7911600000e-01 -1.1925770000e+00 -1.1076800000e-01 -2.9925900000e-01 -9.4086100000e-01 -1.4398010000e+00  2.3134900000e-01  1.2630980000e+00  5.4385500000e-01  3.2230000000e-02  3.5620100000e-01  3.1121700000e-01 -2.0308900000e-01  1.3956460000e+00  1.3864260000e+00
-ENERGY -1.526565920129e+02
-FORCES -2.7772000000e-03  2.7757000000e-03 -4.0060000000e-03  7.6210000000e-03  5.5217000000e-03  4.4510000000e-04  6.6730000000e-04 -1.2819000000e-03  5.8952000000e-03  5.9220000000e-04 -1.2367400000e-02 -3.1356000000e-03 -6.4046000000e-03  8.2903000000e-03  4.3947000000e-03  3.0130000000e-04 -2.9384000000e-03 -3.5934000000e-03
-
-JOB 5
-COORDS -7.5716200000e-01  6.3081000000e-02 -1.1886410000e+00 -2.6235700000e-01  3.0087800000e-01 -4.0451600000e-01 -1.3127800000e-01 -4.1686900000e-01 -1.7309970000e+00  6.5981300000e-01 -9.3564000000e-02  1.1511200000e+00  4.2028800000e-01  6.5446100000e-01  1.6982210000e+00  1.6133560000e+00 -4.5371000000e-02  1.0828190000e+00
-ENERGY -1.526577574491e+02
-FORCES  1.0122500000e-02 -3.8045000000e-03  1.1840900000e-02 -5.0217000000e-03  5.0327000000e-03 -6.2369000000e-03 -1.4064000000e-03  1.5266000000e-03  1.0538000000e-03  9.6170000000e-04  6.4450000000e-04 -4.6410000000e-04  8.7220000000e-04 -3.4748000000e-03 -5.7010000000e-03 -5.5283000000e-03  7.5500000000e-05 -4.9270000000e-04
-
-JOB 6
-COORDS -7.8617700000e-01 -8.2910900000e-01  6.7847500000e-01 -1.0278020000e+00 -1.6227080000e+00  2.0092900000e-01 -1.6186790000e+00 -4.7290500000e-01  9.8878300000e-01  8.5929900000e-01  8.2604800000e-01 -7.3192100000e-01  3.8359700000e-01  3.6835000000e-01 -3.8775000000e-02  1.0159910000e+00  1.7014110000e+00 -3.7777400000e-01
-ENERGY -1.526602846979e+02
-FORCES -5.5870000000e-04  8.2440000000e-04 -5.9469000000e-03 -4.7120000000e-04  3.6073000000e-03  3.4396000000e-03  4.0505000000e-03 -1.7550000000e-03 -1.6811000000e-03 -7.1502000000e-03 -6.9869000000e-03  7.7472000000e-03  6.2714000000e-03  7.5703000000e-03 -3.8342000000e-03 -2.1418000000e-03 -3.2602000000e-03  2.7540000000e-04
-
-JOB 7
-COORDS  6.7562200000e-01 -9.6256000000e-01  7.8381900000e-01  6.5260000000e-02 -2.9645200000e-01  4.6760600000e-01  7.6935300000e-01 -7.7789900000e-01  1.7183490000e+00 -6.7731000000e-01  9.0631600000e-01 -7.5936900000e-01 -8.4833900000e-01  4.2822100000e-01 -1.5707920000e+00  5.1958000000e-02  1.4883740000e+00 -9.7293100000e-01
-ENERGY -1.526614672197e+02
-FORCES -7.3134000000e-03  8.3769000000e-03 -4.2892000000e-03  6.2640000000e-03 -7.1535000000e-03  6.2431000000e-03 -8.6790000000e-04  1.0972000000e-03 -3.5253000000e-03  4.3964000000e-03 -1.9366000000e-03 -3.8587000000e-03  1.3210000000e-03  2.8596000000e-03  4.1159000000e-03 -3.8001000000e-03 -3.2436000000e-03  1.3142000000e-03
-
-JOB 8
-COORDS -5.8920000000e-03  1.0138490000e+00 -8.7013700000e-01 -9.2457200000e-01  8.7052400000e-01 -1.0975520000e+00  1.3610500000e-01  1.9481230000e+00 -1.0224540000e+00 -2.8060000000e-03 -1.1046440000e+00  9.0148700000e-01  8.4124100000e-01 -1.1655590000e+00  1.3488190000e+00  7.6854000000e-02 -3.3138700000e-01  3.4295300000e-01
-ENERGY -1.526603882777e+02
-FORCES -1.6493000000e-03  7.5090000000e-04  1.8961000000e-03  5.6342000000e-03  6.5870000000e-04  2.6634000000e-03 -1.8780000000e-03 -4.2441000000e-03 -6.1970000000e-04  4.2609000000e-03  9.8022000000e-03 -6.0970000000e-03 -2.1725000000e-03  7.1120000000e-04 -1.2836000000e-03 -4.1954000000e-03 -7.6789000000e-03  3.4408000000e-03
-
-JOB 9
-COORDS  1.9312400000e-01 -6.3297300000e-01  1.1760690000e+00  9.0392800000e-01 -2.0948400000e-01  1.6573670000e+00 -4.2228000000e-01 -9.1269000000e-01  1.8537620000e+00 -1.9686900000e-01  6.5928300000e-01 -1.3008780000e+00  1.0358800000e-01 -2.3265700000e-01 -1.1265210000e+00 -5.5680600000e-01  9.5877900000e-01 -4.6602500000e-01
-ENERGY -1.526583059827e+02
-FORCES  1.4139000000e-03  7.8590000000e-04  2.1518000000e-03 -4.1708000000e-03 -1.7479000000e-03 -2.0586000000e-03  2.7047000000e-03  2.4749000000e-03 -3.3948000000e-03  6.5850000000e-04 -6.9532000000e-03  1.1927600000e-02  2.1290000000e-04  1.8823000000e-03 -5.1376000000e-03 -8.1910000000e-04  3.5581000000e-03 -3.4884000000e-03
-
-JOB 10
-COORDS -1.1040000000e+00  6.0150100000e-01 -5.6286300000e-01 -1.5682100000e+00  4.9903900000e-01  2.6794500000e-01 -1.2282090000e+00  1.5217130000e+00 -7.9527300000e-01  1.1996510000e+00 -6.7736200000e-01  5.5421300000e-01  3.2270100000e-01 -7.8155600000e-01  9.2344600000e-01  1.0743980000e+00 -1.0750000000e-01 -2.0460300000e-01
-ENERGY -1.526556532635e+02
-FORCES -1.5928000000e-03  2.3927000000e-03  3.8661000000e-03  3.8418000000e-03 -1.0196000000e-03 -3.0805000000e-03  1.4712000000e-03 -4.5189000000e-03  1.1498000000e-03 -1.0360900000e-02  5.2525000000e-03 -6.1516000000e-03  7.7920000000e-04 -5.7400000000e-04  2.3501000000e-03  5.8615000000e-03 -1.5327000000e-03  1.8661000000e-03
-
-JOB 11
-COORDS  9.4342000000e-01 -7.6497500000e-01  7.4364900000e-01  1.7443640000e+00 -1.2248620000e+00  4.9220400000e-01  5.0341100000e-01 -5.7835300000e-01 -8.5685000000e-02 -9.6981900000e-01  7.1443600000e-01 -6.4298300000e-01 -8.0008400000e-01  8.0262200000e-01 -1.5808770000e+00 -1.0129870000e+00  1.6148940000e+00 -3.2120200000e-01
-ENERGY -1.526574212693e+02
-FORCES -5.5815000000e-03  3.4742000000e-03 -5.2872000000e-03 -3.7188000000e-03  2.6451000000e-03 -8.6850000000e-04  7.4751000000e-03 -5.7710000000e-03  1.2553000000e-03  1.1805000000e-03  5.4354000000e-03  2.6846000000e-03  1.5814000000e-03 -2.2164000000e-03  5.3501000000e-03 -9.3670000000e-04 -3.5673000000e-03 -3.1342000000e-03
-
-JOB 12
-COORDS -5.4164500000e-01 -8.0489300000e-01  9.9872200000e-01 -1.0720940000e+00 -1.0113720000e+00  2.2916300000e-01 -2.5098200000e-01 -1.6564020000e+00  1.3253410000e+00  5.1066500000e-01  8.7375400000e-01 -1.0327330000e+00  1.2428220000e+00  1.4679120000e+00 -8.6794700000e-01  5.0787200000e-01  2.8192500000e-01 -2.8042800000e-01
-ENERGY -1.526606981681e+02
-FORCES -3.6930000000e-03 -3.6891000000e-03 -1.5420000000e-03  5.5263000000e-03  1.2305000000e-03  3.9522000000e-03 -1.2195000000e-03  4.2753000000e-03 -2.2003000000e-03  2.2000000000e-05 -2.9693000000e-03  8.8836000000e-03 -2.0591000000e-03 -2.5505000000e-03  3.5290000000e-04  1.4233000000e-03  3.7032000000e-03 -9.4463000000e-03
-
-JOB 13
-COORDS  7.3972200000e-01 -5.5227700000e-01 -1.1380120000e+00  2.6488900000e-01 -3.1357900000e-01 -3.4190400000e-01  1.4252790000e+00  1.1110300000e-01 -1.2165670000e+00 -7.4260400000e-01  5.5188800000e-01  1.0490250000e+00 -9.3780000000e-02  3.3046000000e-02  1.5244870000e+00 -1.5855440000e+00  2.5351400000e-01  1.3905760000e+00
-ENERGY -1.526574098911e+02
-FORCES -5.6069000000e-03  7.8212000000e-03  5.6096000000e-03  8.1170000000e-03 -5.9882000000e-03  1.1330000000e-04 -1.9170000000e-03 -2.4803000000e-03  1.0146000000e-03 -3.0554000000e-03 -2.1833000000e-03  2.7733000000e-03 -2.3229000000e-03  1.3326000000e-03 -8.5824000000e-03  4.7852000000e-03  1.4980000000e-03 -9.2850000000e-04
-
-JOB 14
-COORDS -2.4109500000e-01  4.5489900000e-01  1.2756840000e+00  6.4613100000e-01  8.0818900000e-01  1.3408540000e+00 -4.6939000000e-01  2.1246300000e-01  2.1730910000e+00  2.4390000000e-01 -4.2461100000e-01 -1.3701560000e+00 -7.5488000000e-02 -2.4048900000e-01 -4.8679800000e-01 -1.3524600000e-01 -1.2756030000e+00 -1.5899130000e+00
-ENERGY -1.526612098858e+02
-FORCES  2.3861000000e-03 -4.5570000000e-04  2.2536000000e-03 -5.1334000000e-03 -2.7011000000e-03 -3.2340000000e-04  2.0861000000e-03  1.9154000000e-03 -3.4730000000e-03 -4.6615000000e-03 -3.8800000000e-05  9.0208000000e-03  4.4837000000e-03 -1.2069000000e-03 -8.7814000000e-03  8.3900000000e-04  2.4872000000e-03  1.3033000000e-03
-
-JOB 15
-COORDS  5.5979400000e-01 -1.3674130000e+00 -2.6032400000e-01  4.7079900000e-01 -5.0545000000e-01  1.4628700000e-01 -1.8699500000e-01 -1.8668400000e+00  6.9996000000e-02 -5.1788500000e-01  1.2823300000e+00  2.1390600000e-01 -5.5524100000e-01  1.7658820000e+00  1.0391410000e+00 -4.3725600000e-01  1.9596170000e+00 -4.5766900000e-01
-ENERGY -1.526601631477e+02
-FORCES -6.5034000000e-03  8.0555000000e-03  2.7560000000e-03  4.4606000000e-03 -7.8917000000e-03  2.0860000000e-04  2.5049000000e-03  9.0270000000e-04 -7.6340000000e-04 -2.4150000000e-04  4.0447000000e-03 -2.3839000000e-03  5.6880000000e-04 -2.9222000000e-03 -4.0835000000e-03 -7.8950000000e-04 -2.1890000000e-03  4.2662000000e-03
-
-JOB 16
-COORDS -7.7143000000e-02 -1.2425510000e+00 -6.4128700000e-01 -8.9990700000e-01 -1.3259070000e+00 -1.1233060000e+00  1.3503000000e-01 -2.1363450000e+00 -3.7231200000e-01  1.4491400000e-01  1.3084140000e+00  7.1467800000e-01 -3.2707800000e-01  1.9571100000e+00  1.9252100000e-01  1.2297800000e-01  5.1167500000e-01  1.8462500000e-01
-ENERGY -1.526608642806e+02
-FORCES -1.4694000000e-03 -3.5330000000e-03  1.5818000000e-03  4.0257000000e-03  5.9560000000e-04  2.3780000000e-03 -2.1064000000e-03  3.3114000000e-03 -2.5073000000e-03 -9.9740000000e-04 -7.3078000000e-03 -5.8658000000e-03  8.9150000000e-04 -2.8333000000e-03  1.0923000000e-03 -3.4400000000e-04  9.7672000000e-03  3.3210000000e-03
-
-JOB 17
-COORDS  5.8093900000e-01  1.2938730000e+00 -4.7582200000e-01  1.4398070000e+00  1.2306010000e+00 -8.9364400000e-01  1.6722500000e-01  4.4812100000e-01 -6.4837900000e-01 -6.0553400000e-01 -1.1713570000e+00  4.9450400000e-01 -1.0257830000e+00 -1.5727910000e+00  1.2550770000e+00 -2.0468400000e-01 -1.9042430000e+00  2.7139000000e-02
-ENERGY -1.526562634439e+02
-FORCES -1.6737000000e-03 -7.0954000000e-03  1.7035000000e-03 -3.1936000000e-03 -8.7200000000e-04  1.6278000000e-03  4.3347000000e-03  4.4587000000e-03 -4.9630000000e-03 -5.5360000000e-04 -2.0347000000e-03  4.2990000000e-03  2.2586000000e-03  3.5440000000e-04 -3.5593000000e-03 -1.1724000000e-03  5.1889000000e-03  8.9210000000e-04
-
-JOB 18
-COORDS  8.3116600000e-01 -1.1517500000e-01 -1.1583480000e+00  1.5830360000e+00 -5.2494000000e-01 -7.3054500000e-01  8.5441500000e-01 -4.4841800000e-01 -2.0553660000e+00 -8.9087100000e-01  1.2554700000e-01  1.2443150000e+00 -5.0356700000e-01 -2.7203600000e-01  4.6447200000e-01 -1.0104840000e+00  1.0459440000e+00  1.0102350000e+00
-ENERGY -1.526605762702e+02
-FORCES  3.9754000000e-03 -1.8182000000e-03 -2.7136000000e-03 -4.9664000000e-03  1.2953000000e-03 -2.1375000000e-03  5.8880000000e-04  1.5347000000e-03  4.4261000000e-03  3.6473000000e-03  2.5924000000e-03 -9.5043000000e-03 -2.7288000000e-03 -1.2572000000e-03  7.8640000000e-03 -5.1620000000e-04 -2.3470000000e-03  2.0652000000e-03
-
-JOB 19
-COORDS  4.6134700000e-01  1.0720700000e-01  1.3721880000e+00 -3.0115200000e-01 -2.5251500000e-01  1.8254280000e+00  6.3299900000e-01  9.3875700000e-01  1.8141080000e+00 -4.8009900000e-01 -9.2749000000e-02 -1.4394130000e+00  3.3078400000e-01  1.2342900000e-01 -9.7901400000e-01 -3.9433100000e-01 -1.0218240000e+00 -1.6531800000e+00
-ENERGY -1.526575197659e+02
-FORCES -5.8996000000e-03  9.3730000000e-04  2.3533000000e-03  4.1369000000e-03  1.3919000000e-03 -2.1200000000e-04 -7.8340000000e-04 -3.4205000000e-03 -2.5349000000e-03  5.3802000000e-03 -2.0732000000e-03  6.6216000000e-03 -1.9949000000e-03  1.4420000000e-04 -7.1633000000e-03 -8.3920000000e-04  3.0204000000e-03  9.3530000000e-04
-
-JOB 20
-COORDS  1.0045700000e-01 -7.3411000000e-01  1.3316380000e+00 -3.3889400000e-01  1.0450800000e-01  1.4727810000e+00 -5.7251900000e-01 -1.2959190000e+00  9.4731200000e-01 -9.7246000000e-02  7.1995500000e-01 -1.3183650000e+00  4.9370300000e-01  3.2552800000e-01 -1.9597990000e+00  4.8294000000e-01  1.0861700000e+00 -6.5090500000e-01
-ENERGY -1.526549418271e+02
-FORCES -6.8653000000e-03  1.4673000000e-03 -5.8644000000e-03  3.5666000000e-03 -1.7678000000e-03 -2.1480000000e-04  2.6672000000e-03  6.0760000000e-04  3.4549000000e-03  6.9003000000e-03 -3.1706000000e-03  3.0198000000e-03 -2.6164000000e-03  1.6485000000e-03  1.9291000000e-03 -3.6523000000e-03  1.2151000000e-03 -2.3246000000e-03
-
-JOB 21
-COORDS  5.3134000000e-01  1.3739530000e+00  3.4859700000e-01 -1.9901500000e-01  1.1332750000e+00 -2.2139200000e-01  1.1884940000e+00  1.7384100000e+00 -2.4432100000e-01 -5.9469100000e-01 -1.3511790000e+00 -2.9750300000e-01  1.9256800000e-01 -8.5783200000e-01 -6.7147000000e-02 -3.0542800000e-01 -2.2630320000e+00 -3.3040800000e-01
-ENERGY -1.526590716297e+02
-FORCES -2.6303000000e-03  4.2247000000e-03 -4.3155000000e-03  6.7031000000e-03 -1.1879000000e-03  3.3212000000e-03 -2.8167000000e-03 -2.7507000000e-03  2.5769000000e-03  4.9396000000e-03 -8.5630000000e-04  2.9463000000e-03 -6.0366000000e-03 -3.2042000000e-03 -4.9481000000e-03 -1.5900000000e-04  3.7744000000e-03  4.1920000000e-04
-
-JOB 22
-COORDS  1.0163930000e+00  7.1790700000e-01  8.8781100000e-01  5.3537700000e-01  3.7380200000e-01  1.3518300000e-01  1.9146540000e+00  8.1870400000e-01  5.7285200000e-01 -9.8668700000e-01 -6.6743700000e-01 -8.4126900000e-01 -1.0333730000e+00 -1.6015380000e+00 -6.3753200000e-01 -1.9000390000e+00 -3.8283200000e-01 -8.7320800000e-01
-ENERGY -1.526614813801e+02
-FORCES -2.9982000000e-03 -2.8042000000e-03 -6.2407000000e-03  7.7235000000e-03  4.5148000000e-03  5.5213000000e-03 -3.3170000000e-03 -9.6390000000e-04  4.6490000000e-04 -4.7654000000e-03 -2.6492000000e-03  1.8994000000e-03 -4.0110000000e-04  4.2494000000e-03 -1.4868000000e-03  3.7582000000e-03 -2.3468000000e-03 -1.5810000000e-04
-
-JOB 23
-COORDS -8.2681900000e-01 -1.1334400000e-01  1.3028870000e+00 -1.2799170000e+00  7.2786500000e-01  1.3603430000e+00 -6.4181700000e-01 -2.2306900000e-01  3.7016700000e-01  7.8848700000e-01  5.1667000000e-02 -1.2357710000e+00  1.1572620000e+00  9.3418100000e-01 -1.1982940000e+00  1.5012610000e+00 -4.9224200000e-01 -1.5709550000e+00
-ENERGY -1.526597003343e+02
-FORCES  2.0808000000e-03  1.7774000000e-03 -7.4480000000e-03  2.1276000000e-03 -2.3589000000e-03 -4.1260000000e-04 -5.4810000000e-03  3.1250000000e-04  7.3577000000e-03  5.6634000000e-03  9.2440000000e-04  2.6520000000e-04 -1.8012000000e-03 -3.8559000000e-03 -7.9020000000e-04 -2.5895000000e-03  3.2003000000e-03  1.0279000000e-03
-
-JOB 24
-COORDS -9.9803100000e-01  9.3718100000e-01 -5.6451100000e-01 -1.2981100000e-01  1.3334350000e+00 -4.9097000000e-01 -1.4521330000e+00  1.4731090000e+00 -1.2147450000e+00  1.0043270000e+00 -9.9644200000e-01  6.4689100000e-01  7.3207100000e-01 -1.6996730000e+00  5.7336000000e-02  6.0812000000e-01 -2.0706600000e-01  2.7792100000e-01
-ENERGY -1.526534411548e+02
-FORCES  1.1350000000e-04  5.2394000000e-03 -3.1653000000e-03 -1.9215000000e-03 -8.3859000000e-03  2.1113000000e-03  1.9697000000e-03 -2.4663000000e-03  3.2635000000e-03 -7.6289000000e-03 -3.0780000000e-04 -5.1122000000e-03  2.4078000000e-03  1.4110000000e-03  2.5862000000e-03  5.0595000000e-03  4.5097000000e-03  3.1660000000e-04
-
-JOB 25
-COORDS -1.0595780000e+00  1.0651720000e+00  9.2511000000e-02 -1.4412550000e+00  4.5523100000e-01  7.2380000000e-01 -7.7775700000e-01  1.8120760000e+00  6.2066200000e-01  1.1042480000e+00 -1.0657900000e+00 -1.0970500000e-01  3.9065700000e-01 -5.3569800000e-01 -4.6470100000e-01  1.1625780000e+00 -1.8164430000e+00 -7.0076200000e-01
-ENERGY -1.526602774340e+02
-FORCES  1.9400000000e-05  2.6181000000e-03  6.6741000000e-03  2.2529000000e-03  2.3195000000e-03 -4.1049000000e-03 -2.3199000000e-03 -3.0804000000e-03 -1.9901000000e-03 -3.6511000000e-03  3.1951000000e-03 -3.6138000000e-03  4.8759000000e-03 -8.1970000000e-03  1.0072000000e-03 -1.1773000000e-03  3.1446000000e-03  2.0275000000e-03
-
-JOB 26
-COORDS -3.7774700000e-01  3.2845600000e-01 -1.5184800000e+00 -1.7091000000e-01 -6.0612600000e-01 -1.5159180000e+00 -1.3584600000e-01  6.3018800000e-01 -6.4288100000e-01  2.8195200000e-01 -3.0199900000e-01  1.4754710000e+00  9.1338200000e-01 -8.6472500000e-01  1.0272890000e+00  8.0324100000e-01  4.3178400000e-01  1.8011300000e+00
-ENERGY -1.526564537446e+02
-FORCES  4.4200000000e-05 -3.7438000000e-03  8.3490000000e-03  5.8320000000e-04  2.7463000000e-03 -7.7290000000e-04  1.3979000000e-03  1.8437000000e-03 -6.9152000000e-03  5.1742000000e-03 -1.3881000000e-03  2.7562000000e-03 -4.0548000000e-03  3.5543000000e-03  2.3800000000e-05 -3.1447000000e-03 -3.0123000000e-03 -3.4408000000e-03
-
-JOB 27
-COORDS  9.6474700000e-01  8.9085300000e-01 -7.2340200000e-01  1.4572350000e+00  1.0112280000e+00  8.8508000000e-02  1.1032830000e+00  1.7029560000e+00 -1.2107710000e+00 -1.0218700000e+00 -9.5466900000e-01  7.6394800000e-01 -4.7483200000e-01 -2.1523400000e-01  4.9896100000e-01 -1.1596090000e+00 -1.4522770000e+00 -4.2058000000e-02
-ENERGY -1.526593834979e+02
-FORCES  3.6742000000e-03  5.0004000000e-03 -9.6570000000e-04 -4.9299000000e-03 -1.0940000000e-03 -3.3476000000e-03  3.9810000000e-04 -3.7813000000e-03  2.3866000000e-03  3.4202000000e-03  3.1847000000e-03 -8.0033000000e-03 -1.9586000000e-03 -3.8606000000e-03  6.7159000000e-03 -6.0390000000e-04  5.5070000000e-04  3.2141000000e-03
-
-JOB 28
-COORDS -2.4453300000e-01 -1.5135090000e+00 -4.4455100000e-01 -3.3703500000e-01 -1.7136920000e+00  4.8690100000e-01 -7.7776800000e-01 -7.2947300000e-01 -5.7562600000e-01  2.3455300000e-01  1.4380070000e+00  3.7544800000e-01  2.6214000000e-01  2.3915110000e+00  2.9607300000e-01  1.0246930000e+00  1.2152030000e+00  8.6765600000e-01
-ENERGY -1.526573219350e+02
-FORCES -2.4769000000e-03  6.5918000000e-03  3.5143000000e-03  1.1520000000e-03 -3.6800000000e-05 -3.0627000000e-03 -8.8600000000e-05 -6.3350000000e-03 -1.0610000000e-03  5.1402000000e-03  2.0644000000e-03  1.4039000000e-03  5.8000000000e-05 -4.3297000000e-03  1.7800000000e-04 -3.7848000000e-03  2.0452000000e-03 -9.7250000000e-04
-
-JOB 29
-COORDS  5.0463500000e-01 -1.4359320000e+00  4.4396100000e-01 -1.2060800000e-01 -2.1229040000e+00  6.7498800000e-01 -2.0636000000e-02 -7.7534700000e-01 -7.6460000000e-03 -3.7066000000e-01  1.4560260000e+00 -4.2194800000e-01 -1.0780930000e+00  1.4343420000e+00  2.2248900000e-01 -7.7564500000e-01  1.1495370000e+00 -1.2332940000e+00
-ENERGY -1.526559916457e+02
-FORCES -3.0845000000e-03  3.6619000000e-03 -1.6007000000e-03  1.7235000000e-03  3.7383000000e-03 -1.0758000000e-03 -6.2510000000e-04 -8.1140000000e-03  1.3783000000e-03 -4.2840000000e-03  4.1083000000e-03 -4.9240000000e-04  3.6791000000e-03 -1.9811000000e-03 -3.7789000000e-03  2.5910000000e-03 -1.4135000000e-03  5.5695000000e-03
-
-JOB 30
-COORDS  2.5864600000e-01  1.5887190000e+00  1.5931300000e-01  2.9349300000e-01  8.5425400000e-01 -4.5353300000e-01  7.8291000000e-01  1.3023060000e+00  9.0720800000e-01 -2.4769100000e-01 -1.5090430000e+00 -1.1989400000e-01 -3.2859200000e-01 -2.4154220000e+00 -4.1681700000e-01 -8.8942500000e-01 -1.0273490000e+00 -6.4179400000e-01
-ENERGY -1.526566009332e+02
-FORCES  3.7461000000e-03 -7.2433000000e-03  2.1982000000e-03 -3.5729000000e-03  4.0272000000e-03 -2.4080000000e-04 -1.4972000000e-03  3.1609000000e-03 -2.3086000000e-03 -4.3790000000e-03 -3.5088000000e-03 -2.3742000000e-03 -9.3100000000e-05  4.1817000000e-03  1.5148000000e-03  5.7960000000e-03 -6.1770000000e-04  1.2106000000e-03
-
-JOB 31
-COORDS -1.5699870000e+00 -2.8982100000e-01  2.4457700000e-01 -1.9967050000e+00  1.1521000000e-01 -5.1046800000e-01 -6.4111200000e-01 -3.0792200000e-01  1.4149000000e-02  1.5066250000e+00  3.2407600000e-01 -2.1439100000e-01  1.7863930000e+00 -4.7459500000e-01 -6.6170100000e-01  1.7849390000e+00  2.0091400000e-01  6.9313500000e-01
-ENERGY -1.526597308385e+02
-FORCES  5.8073000000e-03  3.9726000000e-03 -4.3658000000e-03  1.0914000000e-03 -1.7806000000e-03  2.4279000000e-03 -7.9872000000e-03 -4.3863000000e-03  1.8321000000e-03  6.7134000000e-03 -1.2396000000e-03  2.5060000000e-03 -3.6278000000e-03  3.6190000000e-03  2.5915000000e-03 -1.9971000000e-03 -1.8510000000e-04 -4.9916000000e-03
-
-JOB 32
-COORDS -8.5133700000e-01 -1.2829720000e+00 -5.3945100000e-01 -5.7022900000e-01 -1.8899710000e+00  1.4521200000e-01 -1.3244200000e-01 -6.5535200000e-01 -6.1370300000e-01  7.7325800000e-01  1.2953500000e+00  4.3576200000e-01  7.0527900000e-01  1.9340550000e+00  1.1454570000e+00  1.1572830000e+00  5.2054400000e-01  8.4616700000e-01
-ENERGY -1.526547013028e+02
-FORCES  3.3469000000e-03  3.3526000000e-03  2.0473000000e-03 -3.4300000000e-04  3.0012000000e-03 -2.1627000000e-03 -8.9480000000e-04 -6.6589000000e-03  8.9180000000e-04 -2.2490000000e-04  1.8094000000e-03  6.2143000000e-03  1.1354000000e-03 -2.8713000000e-03 -2.7713000000e-03 -3.0196000000e-03  1.3670000000e-03 -4.2195000000e-03
-
-JOB 33
-COORDS  5.9615400000e-01 -9.3149200000e-01 -1.2385800000e+00 -3.3846600000e-01 -7.5749800000e-01 -1.1270240000e+00  9.3366400000e-01 -1.0108190000e+00 -3.4637700000e-01 -5.9692100000e-01  8.7268700000e-01  1.1952560000e+00 -4.5276100000e-01  1.2568770000e+00  3.3047400000e-01 -1.1407500000e-01  1.4420700000e+00  1.7943350000e+00
-ENERGY -1.526573539396e+02
-FORCES -3.3167000000e-03 -1.2114000000e-03  6.7513000000e-03  3.7019000000e-03  1.4040000000e-03 -2.1498000000e-03  6.0350000000e-04 -3.2000000000e-05 -5.0811000000e-03  2.4790000000e-03  5.5590000000e-03 -6.7100000000e-04 -1.7087000000e-03 -3.0888000000e-03  3.8679000000e-03 -1.7591000000e-03 -2.6309000000e-03 -2.7173000000e-03
-
-JOB 34
-COORDS -1.4005820000e+00 -1.0081200000e-01  8.4521200000e-01 -9.3093200000e-01  3.3861300000e-01  1.3629300000e-01 -1.8844010000e+00 -8.0438200000e-01  4.1261500000e-01  1.4195850000e+00  1.8616300000e-01 -7.5441200000e-01  1.2400680000e+00 -5.4146600000e-01 -1.5896100000e-01  1.3029530000e+00 -1.8504000000e-01 -1.6289610000e+00
-ENERGY -1.526579855369e+02
-FORCES -2.9700000000e-05  1.6130000000e-03 -5.1994000000e-03 -4.4898000000e-03 -4.2807000000e-03  4.2415000000e-03  2.9732000000e-03  2.3791000000e-03  1.4495000000e-03  2.4530000000e-03 -5.5561000000e-03 -2.5280000000e-04  1.1000000000e-06  4.0661000000e-03 -4.5386000000e-03 -9.0780000000e-04  1.7787000000e-03  4.2999000000e-03
-
-JOB 35
-COORDS  6.9078300000e-01  8.8411000000e-01  1.0850300000e+00  5.4511700000e-01  1.8221260000e+00  9.6199500000e-01  1.6226840000e+00  8.1095300000e-01  1.2910450000e+00 -7.9799300000e-01 -9.0512300000e-01 -1.0986340000e+00 -1.2749100000e-01 -5.4666600000e-01 -5.1711100000e-01 -3.7337900000e-01 -1.6500810000e+00 -1.5240420000e+00
-ENERGY -1.526599456726e+02
-FORCES  2.6318000000e-03  6.0956000000e-03  2.2193000000e-03  1.5755000000e-03 -4.2241000000e-03  1.0801000000e-03 -4.3080000000e-03  6.1800000000e-05 -1.5786000000e-03  4.7722000000e-03  8.8970000000e-04  3.5914000000e-03 -3.7351000000e-03 -5.6156000000e-03 -7.1272000000e-03 -9.3630000000e-04  2.7926000000e-03  1.8150000000e-03
-
-JOB 36
-COORDS  1.2286320000e+00 -7.0676300000e-01 -7.2508600000e-01  1.8254750000e+00 -4.8763700000e-01 -1.4406240000e+00  1.5674450000e+00 -2.2145300000e-01  2.7184000000e-02 -1.2998870000e+00  6.2737500000e-01  7.6506800000e-01 -1.5979700000e+00  7.0273900000e-01 -1.4140800000e-01 -6.3131500000e-01  1.3064470000e+00  8.5509100000e-01
-ENERGY -1.526532549029e+02
-FORCES  3.5831000000e-03  1.6642000000e-03  2.1715000000e-03 -3.4998000000e-03 -3.8120000000e-04  3.0142000000e-03 -6.8730000000e-04 -7.8430000000e-04 -3.7697000000e-03  2.6598000000e-03  1.0302000000e-03 -6.2187000000e-03 -5.2950000000e-04  1.1545000000e-03  4.2254000000e-03 -1.5263000000e-03 -2.6834000000e-03  5.7730000000e-04
-
-JOB 37
-COORDS -6.1505300000e-01  2.6162700000e-01 -1.4093690000e+00  1.4625000000e-02  5.4369400000e-01 -2.0728260000e+00 -1.3866270000e+00 -5.4280000000e-03 -1.9089560000e+00  6.7240000000e-01 -3.1533400000e-01  1.4915600000e+00  2.1919400000e-01 -2.0847500000e-01  6.5524900000e-01  3.4189600000e-01  3.9877100000e-01  2.0365860000e+00
-ENERGY -1.526609511917e+02
-FORCES -1.1974000000e-03 -6.0700000000e-05 -6.3346000000e-03 -3.4638000000e-03 -1.2828000000e-03  2.5608000000e-03  3.6626000000e-03  1.7126000000e-03  1.3707000000e-03 -4.5300000000e-03  3.3886000000e-03 -4.2711000000e-03  4.3005000000e-03 -1.3632000000e-03  8.1929000000e-03  1.2280000000e-03 -2.3944000000e-03 -1.5187000000e-03
-
-JOB 38
-COORDS -6.3733400000e-01  4.8695600000e-01 -1.4270860000e+00 -5.7113000000e-01 -3.5129800000e-01 -1.8844460000e+00  2.6869300000e-01  7.8081900000e-01 -1.3322660000e+00  5.8110600000e-01 -5.1575900000e-01  1.4108200000e+00 -1.7775600000e-01  5.6373000000e-02  1.5249500000e+00  1.2766330000e+00 -9.5667000000e-02  1.9167810000e+00
-ENERGY -1.526562645516e+02
-FORCES  5.7554000000e-03 -4.4492000000e-03  1.0170000000e-04 -7.5940000000e-04  3.6810000000e-03  6.9970000000e-04 -3.9425000000e-03  6.1460000000e-04 -1.5098000000e-03 -2.8072000000e-03  3.7974000000e-03  2.1427000000e-03  4.4131000000e-03 -2.3993000000e-03  1.6530000000e-03 -2.6594000000e-03 -1.2444000000e-03 -3.0873000000e-03
-
-JOB 39
-COORDS  1.1021690000e+00  4.8158900000e-01  1.0264500000e+00  1.1173620000e+00  1.1984130000e+00  1.6606150000e+00  1.3210140000e+00 -2.9677300000e-01  1.5387890000e+00 -1.1159640000e+00 -4.2524600000e-01 -1.1119150000e+00 -3.9339400000e-01 -1.0527210000e+00 -1.1319320000e+00 -1.8204230000e+00 -8.8494200000e-01 -6.5513400000e-01
-ENERGY -1.526520487629e+02
-FORCES -2.9820000000e-04  1.0972000000e-03  4.3582000000e-03  3.2200000000e-05 -3.1705000000e-03 -2.5025000000e-03 -1.3823000000e-03  2.4820000000e-03 -3.0991000000e-03  2.7984000000e-03 -2.9016000000e-03  3.9584000000e-03 -3.7148000000e-03  7.7790000000e-04 -9.8530000000e-04  2.5647000000e-03  1.7150000000e-03 -1.7298000000e-03
-
-JOB 40
-COORDS -7.9107500000e-01 -6.9602800000e-01 -1.3137150000e+00 -1.1551400000e-01 -1.3282800000e+00 -1.5588800000e+00 -4.5712800000e-01 -2.8507400000e-01 -5.1632700000e-01  7.5096300000e-01  6.5043400000e-01  1.2562010000e+00  1.0066220000e+00  1.5279640000e+00  9.7193000000e-01  1.5205200000e-01  8.0011900000e-01  1.9877280000e+00
-ENERGY -1.526606814590e+02
-FORCES  5.8592000000e-03  4.5800000000e-05  5.0424000000e-03 -2.5022000000e-03  1.9605000000e-03  1.8610000000e-04 -5.1160000000e-03 -2.7470000000e-03 -7.1318000000e-03  8.2160000000e-04  5.7044000000e-03  4.6387000000e-03 -1.6744000000e-03 -4.3912000000e-03  1.3147000000e-03  2.6117000000e-03 -5.7260000000e-04 -4.0500000000e-03
-
-JOB 41
-COORDS  1.7063360000e+00 -4.4104500000e-01  3.3943000000e-02  7.8250900000e-01 -2.0348600000e-01  1.1357500000e-01  2.0703930000e+00  2.0912200000e-01 -5.6687000000e-01 -1.6849030000e+00  3.6235800000e-01 -5.8722000000e-02 -1.6562100000e+00 -5.5548000000e-02  8.0195400000e-01 -1.5184560000e+00  1.2881900000e+00  1.1837100000e-01
-ENERGY -1.526572622633e+02
-FORCES -4.3107000000e-03  3.2105000000e-03 -3.9446000000e-03  6.8415000000e-03 -1.0113000000e-03  2.8915000000e-03 -1.0038000000e-03 -2.1368000000e-03  2.6044000000e-03 -4.3978000000e-03  2.7666000000e-03  4.3754000000e-03  2.0882000000e-03  2.1785000000e-03 -4.8757000000e-03  7.8260000000e-04 -5.0076000000e-03 -1.0511000000e-03
-
-JOB 42
-COORDS -1.3676510000e+00 -3.2910900000e-01 -1.0492670000e+00 -1.9344560000e+00  4.4077300000e-01 -1.0966720000e+00 -5.4691700000e-01 -6.4100000000e-04 -6.8220100000e-01  1.3629290000e+00  2.6225800000e-01  9.7519200000e-01  1.7877230000e+00  9.7894700000e-01  1.4465070000e+00  8.7862300000e-01 -2.1450100000e-01  1.6492690000e+00
-ENERGY -1.526590675316e+02
-FORCES  3.2127000000e-03  4.8318000000e-03  1.4041000000e-03  1.8798000000e-03 -2.8222000000e-03  3.0300000000e-04 -7.2352000000e-03 -2.4767000000e-03 -3.0126000000e-03  2.1828000000e-03  8.8980000000e-04  6.4825000000e-03 -1.9700000000e-03 -3.3457000000e-03 -1.6086000000e-03  1.9299000000e-03  2.9230000000e-03 -3.5684000000e-03
-
-JOB 43
-COORDS  1.4622560000e+00  7.5031000000e-02  8.9153500000e-01  1.4927000000e+00 -1.1490300000e-01  1.8292080000e+00  1.4730800000e+00  1.0307700000e+00  8.3979200000e-01 -1.4781450000e+00 -1.5565600000e-01 -9.9606400000e-01 -1.2270280000e+00  7.6444800000e-01 -9.1493800000e-01 -1.4823710000e+00 -4.8345800000e-01 -9.6754000000e-02
-ENERGY -1.526540587162e+02
-FORCES  2.2705000000e-03  3.0410000000e-03  3.3922000000e-03 -9.6060000000e-04  6.7850000000e-04 -4.3314000000e-03 -1.2022000000e-03 -4.0822000000e-03  1.4000000000e-06  4.1900000000e-03  1.6122000000e-03  5.2213000000e-03 -1.7420000000e-03 -2.4312000000e-03 -7.8830000000e-04 -2.5557000000e-03  1.1817000000e-03 -3.4953000000e-03
-
-JOB 44
-COORDS  6.7178100000e-01 -1.1359600000e+00  1.0938560000e+00  1.4095860000e+00 -1.6688040000e+00  7.9728500000e-01  1.0213860000e+00 -6.2839700000e-01  1.8262410000e+00 -7.3662600000e-01  1.1564060000e+00 -1.1808090000e+00 -1.0614900000e+00  1.6360340000e+00 -4.1880400000e-01 -4.4454600000e-01  3.1566600000e-01 -8.2856300000e-01
-ENERGY -1.526586239791e+02
-FORCES  5.7964000000e-03 -1.1980000000e-03  3.4429000000e-03 -3.3216000000e-03  2.5215000000e-03  1.3337000000e-03 -1.6484000000e-03 -2.2376000000e-03 -3.2182000000e-03  5.5230000000e-04 -3.4032000000e-03  6.1047000000e-03  1.0295000000e-03 -8.1850000000e-04 -2.8827000000e-03 -2.4082000000e-03  5.1359000000e-03 -4.7804000000e-03
-
-JOB 45
-COORDS  5.1328100000e-01  1.3340490000e+00  1.0214090000e+00  1.0311930000e+00  1.5646710000e+00  2.5016800000e-01  1.1477470000e+00  9.6224200000e-01  1.6341440000e+00 -5.2652800000e-01 -1.3056980000e+00 -1.0229650000e+00 -9.9598000000e-01 -1.9881070000e+00 -1.5027190000e+00 -1.1484280000e+00 -1.0080480000e+00 -3.5898000000e-01
-ENERGY -1.526564118805e+02
-FORCES  5.6261000000e-03 -1.1239000000e-03 -1.8432000000e-03 -1.7902000000e-03  2.3530000000e-04  3.9347000000e-03 -2.6605000000e-03  1.7532000000e-03 -2.0704000000e-03 -4.6350000000e-03 -4.7660000000e-04  1.8615000000e-03  1.9413000000e-03  2.8398000000e-03  2.0588000000e-03  1.5182000000e-03 -3.2277000000e-03 -3.9413000000e-03
-
-JOB 46
-COORDS -1.4275580000e+00 -8.6066900000e-01  7.0650000000e-01 -1.6298320000e+00  4.1701000000e-02  4.5942500000e-01 -1.0864910000e+00 -1.2581570000e+00 -9.4692000000e-02  1.4161370000e+00  8.0561900000e-01 -6.0121600000e-01  7.4050000000e-01  1.2118820000e+00 -1.1440750000e+00  2.2282080000e+00  9.3661400000e-01 -1.0907180000e+00
-ENERGY -1.526533945930e+02
-FORCES  3.2696000000e-03  2.4787000000e-03 -3.9565000000e-03 -1.3370000000e-04 -3.2960000000e-03  3.1240000000e-04 -3.0884000000e-03  1.1460000000e-03  2.7318000000e-03  1.9178000000e-03  2.9721000000e-03 -3.9104000000e-03  1.7037000000e-03 -2.5522000000e-03  2.6483000000e-03 -3.6691000000e-03 -7.4860000000e-04  2.1744000000e-03
-
-JOB 47
-COORDS -3.4357200000e-01  3.5197000000e-02  1.7161500000e+00 -6.2138800000e-01  9.5087400000e-01  1.6919310000e+00 -8.6246400000e-01 -3.5449400000e-01  2.4198010000e+00  3.4183700000e-01 -7.6121000000e-02 -1.7067340000e+00  3.9476900000e-01 -4.8995600000e-01 -2.5682280000e+00  1.0958300000e+00  5.1279400000e-01 -1.6766550000e+00
-ENERGY -1.526525120713e+02
-FORCES -3.9563000000e-03  1.9841000000e-03  1.4835000000e-03  1.6577000000e-03 -3.3977000000e-03  7.0310000000e-04  2.2197000000e-03  1.4436000000e-03 -2.8912000000e-03  3.9163000000e-03  2.8090000000e-04 -2.4499000000e-03 -4.5540000000e-04  1.5676000000e-03  3.7452000000e-03 -3.3819000000e-03 -1.8785000000e-03 -5.9070000000e-04
-
-JOB 48
-COORDS  1.7368390000e+00  4.3822800000e-01 -4.2563800000e-01  7.8307500000e-01  3.9127100000e-01 -3.5960000000e-01  1.9433010000e+00 -1.3792000000e-02 -1.2437350000e+00 -1.6637560000e+00 -3.4336900000e-01  4.7641600000e-01 -2.2533490000e+00 -6.4722200000e-01 -2.1371700000e-01 -1.5529170000e+00 -1.1025130000e+00  1.0488200000e+00
-ENERGY -1.526583665975e+02
-FORCES -4.9554000000e-03 -1.7109000000e-03 -2.0750000000e-03  7.6768000000e-03  7.6830000000e-04 -1.9713000000e-03 -7.4200000000e-04  1.4986000000e-03  2.9413000000e-03 -4.4262000000e-03 -5.1087000000e-03  1.3518000000e-03  3.1644000000e-03  1.2378000000e-03  2.8107000000e-03 -7.1760000000e-04  3.3149000000e-03 -3.0575000000e-03
-
-JOB 49
-COORDS -8.9341000000e-01  7.9399000000e-01 -1.3496880000e+00 -2.4211200000e-01  1.2658800000e-01 -1.5655980000e+00 -7.3513000000e-01  1.4966090000e+00 -1.9801690000e+00  8.1311300000e-01 -8.2752100000e-01  1.4538810000e+00  4.2429300000e-01 -3.5743600000e-01  7.1626900000e-01  1.7567720000e+00 -7.7164900000e-01  1.3034860000e+00
-ENERGY -1.526552325878e+02
-FORCES  1.5697000000e-03  1.5321000000e-03 -6.1009000000e-03 -1.8246000000e-03  3.3443000000e-03  4.0220000000e-03 -7.6260000000e-04 -3.4275000000e-03  2.5447000000e-03  1.0214000000e-03  3.5890000000e-03 -2.6933000000e-03  3.8750000000e-03 -4.6745000000e-03  2.1580000000e-03 -3.8788000000e-03 -3.6340000000e-04  6.9400000000e-05
-
-JOB 50
-COORDS  1.5735000000e-02  1.4722820000e+00 -1.1203770000e+00 -6.5488700000e-01  1.8670350000e+00 -5.6300000000e-01 -4.4208100000e-01  7.7452000000e-01 -1.5891680000e+00  4.6503000000e-02 -1.4832560000e+00  1.0665170000e+00 -2.5294000000e-02 -5.3743700000e-01  1.1949870000e+00  1.9667900000e-01 -1.8339730000e+00  1.9443990000e+00
-ENERGY -1.526555637273e+02
-FORCES -4.5990000000e-03 -1.1586000000e-03 -2.1091000000e-03  3.3722000000e-03 -2.4649000000e-03 -1.1035000000e-03  1.7392000000e-03  3.8938000000e-03  2.2184000000e-03  1.6425000000e-03  2.8911000000e-03  3.7576000000e-03 -1.4954000000e-03 -4.7881000000e-03  7.5310000000e-04 -6.5950000000e-04  1.6268000000e-03 -3.5164000000e-03
-
-JOB 51
-COORDS  1.1299420000e+00 -1.4219470000e+00 -7.0393800000e-01  1.2479730000e+00 -8.0086000000e-01 -1.4226530000e+00  2.1729200000e-01 -1.3103550000e+00 -4.3776400000e-01 -1.0626210000e+00  1.4035530000e+00  6.7870700000e-01 -1.9844660000e+00  1.2755120000e+00  9.0240200000e-01 -5.8342700000e-01  1.0813080000e+00  1.4420960000e+00
-ENERGY -1.526564351744e+02
-FORCES -4.0023000000e-03  4.4377000000e-03 -2.3155000000e-03  2.7420000000e-04 -3.1742000000e-03  2.3896000000e-03  4.0843000000e-03 -2.2589000000e-03 -4.1390000000e-04 -1.7627000000e-03  1.1500000000e-04  5.2425000000e-03  4.1234000000e-03 -2.9700000000e-05 -1.1999000000e-03 -2.7168000000e-03  9.1010000000e-04 -3.7028000000e-03
-
-JOB 52
-COORDS  1.4404290000e+00 -6.4454200000e-01 -1.0715670000e+00  1.9326640000e+00 -6.1740400000e-01 -1.8920540000e+00  5.6950600000e-01 -3.2210100000e-01 -1.3034190000e+00 -1.3755040000e+00  5.7071200000e-01  1.1476260000e+00 -1.1504670000e+00  1.4926630000e+00  1.0227380000e+00 -2.3305610000e+00  5.4663300000e-01  1.0883150000e+00
-ENERGY -1.526546724112e+02
-FORCES -2.6616000000e-03  1.0713000000e-03 -3.3165000000e-03 -2.0551000000e-03  2.5600000000e-05  3.4221000000e-03  4.8269000000e-03 -1.0462000000e-03 -9.4290000000e-04 -3.0889000000e-03  4.0123000000e-03  1.1772000000e-03 -1.2595000000e-03 -4.1044000000e-03 -2.0690000000e-04  4.2382000000e-03  4.1400000000e-05 -1.3300000000e-04
-
-JOB 53
-COORDS -1.4387030000e+00 -1.4332750000e+00 -8.4070000000e-02 -2.0990580000e+00 -1.0889350000e+00 -6.8539700000e-01 -1.0404310000e+00 -6.5522200000e-01  3.0611500000e-01  1.3894650000e+00  1.3929440000e+00  1.1138800000e-01  1.6985400000e+00  8.2442500000e-01 -5.9394200000e-01  2.1719840000e+00  1.5783260000e+00  6.3055000000e-01
-ENERGY -1.526569690290e+02
-FORCES -9.3660000000e-04  5.3869000000e-03 -9.8900000000e-05  2.5821000000e-03 -1.5725000000e-03  2.1241000000e-03 -2.7202000000e-03 -4.8134000000e-03 -2.1121000000e-03  5.8821000000e-03 -8.7430000000e-04 -7.8880000000e-04 -1.6705000000e-03  2.6083000000e-03  3.2562000000e-03 -3.1370000000e-03 -7.3500000000e-04 -2.3805000000e-03
-
-JOB 54
-COORDS  1.5938620000e+00  1.1773480000e+00 -6.1180000000e-01  2.1701790000e+00  4.3986700000e-01 -8.1232900000e-01  7.1855600000e-01  7.9257700000e-01 -5.6680400000e-01 -1.5758980000e+00 -1.1154480000e+00  5.6441000000e-01 -1.2384130000e+00 -5.4908700000e-01  1.2583640000e+00 -2.0605370000e+00 -1.7990810000e+00  1.0270150000e+00
-ENERGY -1.526560627034e+02
-FORCES -1.6755000000e-03 -5.2113000000e-03 -1.6784000000e-03 -1.8483000000e-03  3.2013000000e-03  9.4960000000e-04  4.3168000000e-03  2.7775000000e-03  9.9500000000e-04 -1.9841000000e-03 -1.5203000000e-03  5.4483000000e-03 -8.1380000000e-04 -2.1803000000e-03 -4.0080000000e-03  2.0049000000e-03  2.9332000000e-03 -1.7065000000e-03
-
-JOB 55
-COORDS -1.6017560000e+00 -1.1684340000e+00 -4.4906500000e-01 -2.4244320000e+00 -1.6544720000e+00 -3.9247100000e-01 -1.8248490000e+00 -2.8429500000e-01 -1.5793000000e-01  1.6104980000e+00  1.1545090000e+00  4.4365800000e-01  1.9187970000e+00  4.5034000000e-01 -1.2671700000e-01  2.4023600000e+00  1.6398560000e+00  6.7522600000e-01
-ENERGY -1.526554795892e+02
-FORCES -4.0311000000e-03  2.2682000000e-03  1.9509000000e-03  3.2540000000e-03  1.9368000000e-03 -2.3760000000e-04 -4.9300000000e-05 -4.2662000000e-03 -1.6781000000e-03  4.5310000000e-03 -1.6479000000e-03 -1.5606000000e-03 -5.3590000000e-04  3.6694000000e-03  2.4506000000e-03 -3.1687000000e-03 -1.9603000000e-03 -9.2520000000e-04
-
-JOB 56
-COORDS  1.9716140000e+00  7.8947200000e-01  4.3537000000e-02  2.8045160000e+00  3.9772000000e-01 -2.1921100000e-01  1.5563360000e+00  1.2455800000e-01  5.9277700000e-01 -1.9965770000e+00 -7.3798600000e-01  1.0643000000e-02 -2.5100390000e+00 -1.2285000000e-01 -5.1299500000e-01 -1.4725270000e+00 -1.2191320000e+00 -6.2975000000e-01
-ENERGY -1.526550531031e+02
-FORCES  1.3365000000e-03 -3.9682000000e-03  2.0900000000e-03 -3.5633000000e-03  1.4531000000e-03  8.5200000000e-04  2.7537000000e-03  2.4718000000e-03 -2.8639000000e-03 -3.8030000000e-04  1.3775000000e-03 -5.3509000000e-03  1.7094000000e-03 -2.8927000000e-03  2.1330000000e-03 -1.8559000000e-03  1.5584000000e-03  3.1399000000e-03
-
-JOB 57
-COORDS -2.6964500000e-01  7.2884200000e-01 -2.0742800000e+00 -3.0932000000e-02 -1.8530300000e-01 -1.9207000000e+00 -7.8967800000e-01  9.7296600000e-01 -1.3086420000e+00  3.2392800000e-01 -6.3820800000e-01  2.0093850000e+00  2.0643700000e-01 -1.4273950000e+00  1.4806020000e+00 -2.7689500000e-01 -7.5118300000e-01  2.7459170000e+00
-ENERGY -1.526543782248e+02
-FORCES -5.3630000000e-04 -2.2103000000e-03  4.7786000000e-03 -1.1813000000e-03  3.0723000000e-03 -9.3520000000e-04  1.4246000000e-03 -1.0766000000e-03 -4.0428000000e-03 -2.2929000000e-03 -4.1196000000e-03  2.2109000000e-03  1.2510000000e-04  3.7927000000e-03  1.3382000000e-03  2.4608000000e-03  5.4150000000e-04 -3.3497000000e-03
-
-JOB 58
-COORDS -1.2369210000e+00 -1.1547060000e+00 -1.2717200000e+00 -2.1109730000e+00 -1.0721930000e+00 -1.6531090000e+00 -1.3454350000e+00 -1.7812830000e+00 -5.5627800000e-01  1.2338950000e+00  1.1586190000e+00  1.2445340000e+00  1.8426780000e+00  1.2986510000e+00  5.1927100000e-01  1.6867490000e+00  1.5129150000e+00  2.0097980000e+00
-ENERGY -1.526539479085e+02
-FORCES -3.8664000000e-03 -1.7342000000e-03  2.4140000000e-03  3.5384000000e-03 -3.8240000000e-04  1.3595000000e-03  1.2290000000e-04  1.9494000000e-03 -3.4461000000e-03  4.2417000000e-03  1.9577000000e-03 -8.2410000000e-04 -2.0030000000e-03 -2.3010000000e-04  3.5264000000e-03 -2.0336000000e-03 -1.5603000000e-03 -3.0297000000e-03
-
-JOB 59
-COORDS -1.6966280000e+00 -1.2830970000e+00  9.1036000000e-02 -1.1303890000e+00 -1.9390510000e+00  4.9764200000e-01 -2.1876850000e+00 -1.7679660000e+00 -5.7228800000e-01  1.6647680000e+00  1.3797590000e+00 -1.2942800000e-01  1.1533320000e+00  9.3460000000e-01  5.4621900000e-01  2.5762610000e+00  1.2164780000e+00  1.1295900000e-01
-ENERGY -1.526543705816e+02
-FORCES -2.9520000000e-04 -4.8572000000e-03 -2.1384000000e-03 -1.8997000000e-03  3.1965000000e-03 -1.2772000000e-03  1.8868000000e-03  1.7150000000e-03  3.0126000000e-03  5.0360000000e-04 -2.4851000000e-03  3.6657000000e-03  3.4732000000e-03  1.9652000000e-03 -2.2400000000e-03 -3.6686000000e-03  4.6550000000e-04 -1.0228000000e-03
-
-JOB 60
-COORDS -5.6020000000e-03 -1.5661900000e-01  2.1106430000e+00  9.3857600000e-01 -2.4656200000e-01  1.9815320000e+00 -1.0389200000e-01  2.3507000000e-02  3.0455900000e+00 -9.2267000000e-02  1.3846600000e-01 -2.2128040000e+00 -1.4047300000e-01  7.9752900000e-01 -1.5203130000e+00  7.3208700000e-01 -3.2019400000e-01 -2.0506240000e+00
-ENERGY -1.526544578518e+02
-FORCES  3.0252000000e-03 -1.7360000000e-04  4.3681000000e-03 -3.9010000000e-03  7.3430000000e-04 -2.1360000000e-04  5.4320000000e-04 -7.6000000000e-04 -3.9610000000e-03  2.3464000000e-03  5.7340000000e-04  4.5427000000e-03  8.3630000000e-04 -2.2501000000e-03 -3.8850000000e-03 -2.8501000000e-03  1.8760000000e-03 -8.5120000000e-04
-
-JOB 61
-COORDS -2.1420400000e-01 -2.0231700000e+00 -9.3026300000e-01  6.9863200000e-01 -2.0354420000e+00 -6.4249200000e-01 -5.9994100000e-01 -2.8066460000e+00 -5.3833800000e-01  2.0045200000e-01  2.0669750000e+00  9.5512600000e-01 -4.7232800000e-01  1.5328720000e+00  5.3283300000e-01  5.9930100000e-01  2.5610090000e+00  2.3882800000e-01
-ENERGY -1.526556764191e+02
-FORCES  2.4439000000e-03 -3.9105000000e-03  2.8550000000e-03 -3.9368000000e-03  2.3200000000e-05 -1.4426000000e-03  1.5831000000e-03  3.2336000000e-03 -1.6497000000e-03 -1.6128000000e-03 -5.7320000000e-04 -5.0030000000e-03  2.8768000000e-03  3.0801000000e-03  2.2728000000e-03 -1.3541000000e-03 -1.8532000000e-03  2.9676000000e-03
-
-JOB 62
-COORDS  1.7624870000e+00  1.2418940000e+00 -5.0148900000e-01  1.6742670000e+00  2.1950200000e+00 -5.0160000000e-01  2.7033720000e+00  1.0879580000e+00 -5.8676000000e-01 -1.7583500000e+00 -1.2553830000e+00  4.9015400000e-01 -2.0608500000e+00 -2.1058280000e+00  1.7161200000e-01 -2.4296380000e+00 -9.8040600000e-01  1.1146470000e+00
-ENERGY -1.526526571863e+02
-FORCES  3.1076000000e-03  3.0557000000e-03 -2.1480000000e-04  4.1670000000e-04 -3.8370000000e-03  1.5000000000e-05 -3.8505000000e-03  5.7960000000e-04  2.9740000000e-04 -3.6193000000e-03 -2.1664000000e-03  1.1333000000e-03  1.2483000000e-03  3.4477000000e-03  1.3286000000e-03  2.6971000000e-03 -1.0796000000e-03 -2.5595000000e-03
-
-JOB 63
-COORDS  1.9012100000e-01 -1.5997910000e+00 -1.5855410000e+00  5.3108900000e-01 -1.6216150000e+00 -2.4796870000e+00 -7.5010200000e-01 -1.4543570000e+00 -1.6907190000e+00 -1.3628100000e-01  1.6065900000e+00  1.5732690000e+00  1.2517300000e-01  2.0254550000e+00  2.3932850000e+00 -8.0972100000e-01  9.7654100000e-01  1.8296830000e+00
-ENERGY -1.526535043057e+02
-FORCES -2.1247000000e-03  1.3414000000e-03 -4.1348000000e-03 -1.4169000000e-03 -1.6430000000e-04  3.5706000000e-03  3.5937000000e-03 -9.5130000000e-04  6.4050000000e-04 -1.2282000000e-03 -1.5653000000e-03  4.2807000000e-03 -1.0693000000e-03 -1.5895000000e-03 -3.3701000000e-03  2.2454000000e-03  2.9291000000e-03 -9.8690000000e-04
-
-JOB 64
-COORDS -6.3872800000e-01 -2.1192050000e+00  8.1958400000e-01 -3.4524300000e-01 -2.6672630000e+00  9.1758000000e-02  1.1926800000e-01 -1.5739750000e+00  1.0302920000e+00  5.8208300000e-01  2.0542890000e+00 -7.7931600000e-01  8.8344900000e-01  2.7814100000e+00 -2.3460900000e-01  1.1476400000e-01  2.4733940000e+00 -1.5019470000e+00
-ENERGY -1.526548147724e+02
-FORCES  4.4894000000e-03  1.1419000000e-03 -2.6481000000e-03 -1.2913000000e-03  1.7501000000e-03  2.9553000000e-03 -2.9652000000e-03 -3.1556000000e-03 -9.2200000000e-05 -1.3026000000e-03  4.9260000000e-03 -9.3350000000e-04 -1.0953000000e-03 -3.1129000000e-03 -2.1758000000e-03  2.1651000000e-03 -1.5496000000e-03  2.8943000000e-03
-
-JOB 65
-COORDS  1.4217570000e+00 -1.9070900000e+00  2.4506600000e-01  6.5408100000e-01 -1.9635440000e+00 -3.2389700000e-01  2.0417110000e+00 -1.3638790000e+00 -2.4156600000e-01 -1.3535260000e+00  1.8661820000e+00 -1.3484200000e-01 -1.3623790000e+00  2.3024860000e+00 -9.8677600000e-01 -2.2630870000e+00  1.6060950000e+00  1.1051000000e-02
-ENERGY -1.526541521889e+02
-FORCES -1.1267000000e-03  3.1860000000e-03 -4.0272000000e-03  3.1969000000e-03 -5.9390000000e-04  2.0300000000e-03 -2.0598000000e-03 -2.6516000000e-03  1.7297000000e-03 -4.1030000000e-03  1.2000000000e-03 -2.2889000000e-03  2.6540000000e-04 -2.1118000000e-03  3.4123000000e-03  3.8273000000e-03  9.7130000000e-04 -8.5600000000e-04
-
-JOB 66
-COORDS -9.1142100000e-01  1.8221720000e+00  1.5150800000e+00 -9.3347400000e-01  1.0462730000e+00  9.5496700000e-01 -1.6659550000e+00  1.7208360000e+00  2.0952880000e+00  9.6928600000e-01 -1.8256240000e+00 -1.4734430000e+00  6.8543600000e-01 -9.3804800000e-01 -1.2546480000e+00  1.0026170000e+00 -1.8379820000e+00 -2.4299820000e+00
-ENERGY -1.526537243717e+02
-FORCES -3.5074000000e-03 -3.6957000000e-03  8.3260000000e-04  6.3630000000e-04  3.2401000000e-03  1.3994000000e-03  3.1257000000e-03  5.5290000000e-04 -2.4687000000e-03 -3.0680000000e-04  3.5631000000e-03 -3.5268000000e-03  2.7410000000e-04 -3.6518000000e-03 -2.7570000000e-04 -2.2190000000e-04 -8.7000000000e-06  4.0392000000e-03
-
-JOB 67
-COORDS -1.3519610000e+00 -2.0771150000e+00 -2.7898100000e-01 -1.9163230000e+00 -1.9605080000e+00 -1.0432650000e+00 -1.9583280000e+00 -2.2245270000e+00  4.4684400000e-01  1.4441980000e+00  2.1112140000e+00  3.3073900000e-01  1.6494430000e+00  2.1872880000e+00 -6.0109700000e-01  7.8446300000e-01  1.4191280000e+00  3.7544500000e-01
-ENERGY -1.526551768096e+02
-FORCES -5.1679000000e-03 -1.1129000000e-03 -1.1160000000e-04  2.4948000000e-03 -1.7920000000e-04  3.2010000000e-03  2.5567000000e-03  8.2740000000e-04 -3.1034000000e-03 -1.8689000000e-03 -3.2958000000e-03 -3.5886000000e-03 -7.8140000000e-04  1.0100000000e-05  3.6231000000e-03  2.7667000000e-03  3.7506000000e-03 -2.0500000000e-05
-
-JOB 68
-COORDS -6.9990000000e-03 -2.4983760000e+00  7.4866100000e-01 -3.0176800000e-01 -1.7071650000e+00  2.9774100000e-01  7.8722500000e-01 -2.2296540000e+00  1.2104270000e+00  2.2768000000e-02  2.3844700000e+00 -7.2641400000e-01  3.0825500000e-01  3.2735680000e+00 -9.3673400000e-01 -9.2340500000e-01  2.3957490000e+00 -8.7084700000e-01
-ENERGY -1.526551542091e+02
-FORCES  2.3743000000e-03  4.9190000000e-03 -1.5300000000e-04  6.1410000000e-04 -3.7639000000e-03  1.8761000000e-03 -3.1457000000e-03 -1.4933000000e-03 -1.6226000000e-03 -2.5076000000e-03  4.3873000000e-03 -1.6630000000e-03 -1.2917000000e-03 -3.6213000000e-03  8.6230000000e-04  3.9565000000e-03 -4.2780000000e-04  7.0030000000e-04
-
-JOB 69
-COORDS -1.1199760000e+00  1.8734480000e+00 -1.5893800000e+00 -1.8346400000e-01  1.9322380000e+00 -1.4003790000e+00 -1.2890480000e+00  9.3521400000e-01 -1.6751930000e+00  1.0939860000e+00 -1.7662470000e+00  1.5297750000e+00  1.3540650000e+00 -2.6865980000e+00  1.5690950000e+00  5.1145400000e-01 -1.6492060000e+00  2.2802350000e+00
-ENERGY -1.526550617400e+02
-FORCES  3.5377000000e-03 -3.9846000000e-03  7.3640000000e-04 -3.8978000000e-03  2.2320000000e-04 -1.0224000000e-03  2.3920000000e-04  3.9503000000e-03  4.9700000000e-05 -1.1455000000e-03 -3.4328000000e-03  3.6626000000e-03 -1.1333000000e-03  3.7942000000e-03 -2.1050000000e-04  2.3996000000e-03 -5.5030000000e-04 -3.2159000000e-03
-
-JOB 70
-COORDS -1.5297320000e+00 -9.3879300000e-01 -1.9722750000e+00 -1.3299350000e+00 -1.8491520000e+00 -1.7541930000e+00 -2.2875420000e+00 -9.9227300000e-01 -2.5545950000e+00  1.6283420000e+00  9.8161000000e-01  1.9934630000e+00  9.6888600000e-01  5.1225300000e-01  2.5043970000e+00  1.1238180000e+00  1.5795860000e+00  1.4419990000e+00
-ENERGY -1.526545939877e+02
-FORCES -2.0748000000e-03 -4.1415000000e-03 -1.7916000000e-03 -1.0261000000e-03  3.7689000000e-03 -8.0110000000e-04  3.0760000000e-03  2.4350000000e-04  2.4513000000e-03 -5.0473000000e-03  4.7560000000e-04 -7.5620000000e-04  2.7895000000e-03  1.7972000000e-03 -1.7672000000e-03  2.2826000000e-03 -2.1437000000e-03  2.6648000000e-03
-
-JOB 71
-COORDS  1.3771540000e+00 -9.5043600000e-01 -2.1553330000e+00  1.1013200000e+00 -1.4889450000e+00 -1.4136090000e+00  8.5811900000e-01 -1.2728520000e+00 -2.8921390000e+00 -1.2872930000e+00  1.0407290000e+00  2.2070200000e+00 -1.1274640000e+00  1.6007200000e-01  1.8677130000e+00 -1.9866720000e+00  1.3879620000e+00  1.6533680000e+00
-ENERGY -1.526536015484e+02
-FORCES -2.7817000000e-03 -3.6127000000e-03 -2.2430000000e-04  7.2420000000e-04  2.3467000000e-03 -2.8558000000e-03  2.0131000000e-03  1.3928000000e-03  3.1818000000e-03 -2.0278000000e-03 -1.8149000000e-03 -3.8691000000e-03 -6.5980000000e-04  3.2489000000e-03  1.3805000000e-03  2.7320000000e-03 -1.5609000000e-03  2.3870000000e-03
-
-JOB 72
-COORDS -2.1719250000e+00  1.5385580000e+00 -1.3938430000e+00 -2.1195770000e+00  5.9962900000e-01 -1.5724600000e+00 -1.9641160000e+00  1.6176890000e+00 -4.6283000000e-01  2.1089010000e+00 -1.5290730000e+00  1.3854810000e+00  2.8857670000e+00 -1.1359190000e+00  1.7831500000e+00  2.1862620000e+00 -1.3238030000e+00  4.5375600000e-01
-ENERGY -1.526544969800e+02
-FORCES  7.9520000000e-04 -3.6027000000e-03  3.3309000000e-03 -5.3000000000e-05  3.8704000000e-03  5.2410000000e-04 -7.8730000000e-04 -1.6730000000e-04 -3.9704000000e-03  3.9448000000e-03  2.2884000000e-03 -2.0765000000e-03 -3.2493000000e-03 -1.5939000000e-03 -1.6445000000e-03 -6.5040000000e-04 -7.9490000000e-04  3.8363000000e-03
-
-JOB 73
-COORDS  1.5813610000e+00  2.5274860000e+00 -5.7292000000e-02  2.3023550000e+00  2.8875410000e+00  4.5919500000e-01  1.0496600000e+00  2.0455360000e+00  5.7615100000e-01 -1.6264210000e+00 -2.5626770000e+00 -1.1853000000e-02 -1.7052060000e+00 -1.6257780000e+00 -1.9142300000e-01 -7.6741100000e-01 -2.6567230000e+00  3.9983700000e-01
-ENERGY -1.526538690797e+02
-FORCES  1.0512000000e-03  1.3000000000e-06  4.7604000000e-03 -3.0271000000e-03 -1.5750000000e-03 -2.1223000000e-03  1.9731000000e-03  1.5123000000e-03 -2.7758000000e-03  3.2098000000e-03  3.3094000000e-03  5.0460000000e-04  3.5530000000e-04 -3.7749000000e-03  1.1011000000e-03 -3.5624000000e-03  5.2690000000e-04 -1.4680000000e-03
-
-JOB 74
-COORDS -7.2124800000e-01 -2.1580920000e+00  2.0325600000e+00  7.4652000000e-02 -1.7368280000e+00  2.3570760000e+00 -1.1891410000e+00 -2.4281090000e+00  2.8227500000e+00  6.8026400000e-01  2.1356390000e+00 -2.1567220000e+00  1.5393890000e+00  1.8586820000e+00 -1.8382410000e+00  3.4992500000e-01  2.7225280000e+00 -1.4765240000e+00
-ENERGY -1.526537386452e+02
-FORCES  1.2368000000e-03  4.7340000000e-04  4.4904000000e-03 -3.1851000000e-03 -1.5834000000e-03 -1.3453000000e-03  1.9438000000e-03  1.1493000000e-03 -3.2351000000e-03  1.9254000000e-03  9.8490000000e-04  4.1206000000e-03 -3.3935000000e-03  1.2371000000e-03 -1.2579000000e-03  1.4726000000e-03 -2.2612000000e-03 -2.7727000000e-03
-
-JOB 75
-COORDS -6.4723400000e-01 -3.0151420000e+00 -1.2374950000e+00 -6.4795800000e-01 -3.6370200000e+00 -5.0982700000e-01 -1.3684320000e+00 -2.4167430000e+00 -1.0424980000e+00  7.2638500000e-01  3.0102170000e+00  1.2176110000e+00  6.7509700000e-01  3.6274800000e+00  4.8782500000e-01 -1.1395400000e-01  2.5520970000e+00  1.2039570000e+00
-ENERGY -1.526538635168e+02
-FORCES -2.7838000000e-03 -2.3880000000e-04  3.8278000000e-03 -8.3400000000e-05  2.5655000000e-03 -3.0086000000e-03  2.8980000000e-03 -2.2739000000e-03 -7.9760000000e-04 -3.4628000000e-03  6.2850000000e-04 -3.1943000000e-03  1.3600000000e-04 -2.4885000000e-03  3.0453000000e-03  3.2960000000e-03  1.8072000000e-03  1.2750000000e-04
-
-JOB 76
-COORDS -2.0871880000e+00  2.4714200000e+00 -9.7623100000e-01 -1.7942160000e+00  3.3782000000e+00 -1.0665040000e+00 -1.2951160000e+00  1.9494340000e+00 -1.1042340000e+00  2.0640740000e+00 -2.4396230000e+00  1.0255910000e+00  1.6616890000e+00 -2.3220860000e+00  1.6506600000e-01  1.9432940000e+00 -3.3686100000e+00  1.2221290000e+00
-ENERGY -1.526540607466e+02
-FORCES  4.5046000000e-03  1.6998000000e-03 -6.6080000000e-04 -1.2330000000e-03 -3.7061000000e-03  2.9370000000e-04 -3.2747000000e-03  1.9663000000e-03  3.3180000000e-04 -2.1924000000e-03 -3.5466000000e-03 -2.5453000000e-03  1.6543000000e-03 -2.2730000000e-04  3.4266000000e-03  5.4110000000e-04  3.8138000000e-03 -8.4590000000e-04
-
-JOB 77
-COORDS  2.3564550000e+00 -2.0050220000e+00 -1.3563200000e+00  1.6500560000e+00 -1.3986770000e+00 -1.5789790000e+00  2.7887730000e+00 -2.1866500000e+00 -2.1907930000e+00 -2.3346570000e+00  2.0246510000e+00  1.4633420000e+00 -2.7366340000e+00  2.1362930000e+00  6.0184200000e-01 -2.0687770000e+00  1.1054180000e+00  1.4868040000e+00
-ENERGY -1.526539366694e+02
-FORCES -8.3100000000e-04  1.7613000000e-03 -4.3977000000e-03  2.6392000000e-03 -2.5162000000e-03  1.0165000000e-03 -1.8369000000e-03  7.4040000000e-04  3.4216000000e-03 -6.3580000000e-04 -3.3188000000e-03 -3.1572000000e-03  1.7514000000e-03 -4.9240000000e-04  3.4242000000e-03 -1.0869000000e-03  3.8258000000e-03 -3.0730000000e-04
-
-JOB 78
-COORDS -1.3474830000e+00 -5.9302300000e-01  3.1173690000e+00 -5.4987500000e-01 -4.3031400000e-01  2.6138020000e+00 -1.9243330000e+00  1.3808100000e-01  2.8960930000e+00  1.2993660000e+00  5.9902900000e-01 -3.0752840000e+00  1.7959730000e+00  1.9808500000e-01 -2.3619420000e+00  1.4338520000e+00  1.3182000000e-02 -3.8202200000e+00
-ENERGY -1.526541685418e+02
-FORCES  7.5070000000e-04  3.7803000000e-03 -3.0442000000e-03 -3.0859000000e-03 -7.8890000000e-04  2.0644000000e-03  2.3691000000e-03 -3.0213000000e-03  1.0028000000e-03  2.6599000000e-03 -4.1015000000e-03 -4.4560000000e-04 -2.1600000000e-03  1.7122000000e-03 -2.6716000000e-03 -5.3390000000e-04  2.4192000000e-03  3.0943000000e-03
-
-JOB 79
-COORDS  3.2440330000e+00  6.9385700000e-01  1.1171990000e+00  3.1055640000e+00  1.3479030000e+00  1.8022400000e+00  4.0610670000e+00  2.5932800000e-01  1.3618850000e+00 -3.2952030000e+00 -6.7609900000e-01 -1.1160920000e+00 -2.4638480000e+00 -1.1162480000e+00 -1.2931530000e+00 -3.8107220000e+00 -8.0782300000e-01 -1.9117800000e+00
-ENERGY -1.526542424097e+02
-FORCES  2.6840000000e-03  1.0155000000e-03  3.8939000000e-03  6.6850000000e-04 -2.6941000000e-03 -2.8038000000e-03 -3.3290000000e-03  1.7300000000e-03 -1.0411000000e-03  1.5806000000e-03 -2.2539000000e-03 -3.9209000000e-03 -3.6249000000e-03  1.6763000000e-03  6.4410000000e-04  2.0210000000e-03  5.2620000000e-04  3.2278000000e-03
-
-JOB 80
-COORDS  3.5437050000e+00 -1.7261500000e-01  4.0499900000e-01  4.3771330000e+00 -5.5277700000e-01  1.2731800000e-01  2.8939020000e+00 -8.4610300000e-01  2.0400100000e-01 -3.5812020000e+00  2.4291600000e-01 -3.2649400000e-01 -3.4350710000e+00 -6.1678200000e-01 -7.2120400000e-01 -3.1726240000e+00  8.5882800000e-01 -9.3472800000e-01
-ENERGY -1.526539800274e+02
-FORCES  7.9450000000e-04 -4.3228000000e-03 -1.7597000000e-03 -3.4370000000e-03  1.5593000000e-03  1.0891000000e-03  2.6275000000e-03  2.7642000000e-03  6.6280000000e-04  2.2408000000e-03 -8.1640000000e-04 -4.0626000000e-03 -5.1910000000e-04  3.4398000000e-03  1.6260000000e-03 -1.7066000000e-03 -2.6240000000e-03  2.4442000000e-03
-
-JOB 81
-COORDS -1.7491240000e+00  7.7772100000e-01  3.4124260000e+00 -2.5001400000e+00  2.9110100000e-01  3.7521430000e+00 -1.6009670000e+00  4.1224200000e-01  2.5402410000e+00  1.8159140000e+00 -6.7399300000e-01 -3.3969340000e+00  1.7999180000e+00 -1.2412020000e+00 -2.6260580000e+00  1.2178470000e+00 -1.0931030000e+00 -4.0157180000e+00
-ENERGY -1.526539277925e+02
-FORCES -2.4815000000e-03 -3.3395000000e-03 -2.1833000000e-03  3.0896000000e-03  1.9492000000e-03 -1.4073000000e-03 -5.9230000000e-04  1.3610000000e-03  3.5751000000e-03 -2.3329000000e-03 -4.0344000000e-03  5.0550000000e-04 -7.5000000000e-05  2.3438000000e-03 -3.0925000000e-03  2.3922000000e-03  1.7198000000e-03  2.6025000000e-03
-
-JOB 82
-COORDS  3.7904810000e+00 -2.1019500000e-01 -1.6435250000e+00  4.3139800000e+00 -9.0697900000e-01 -2.0393430000e+00  4.0690950000e+00 -1.9128700000e-01 -7.2796600000e-01 -3.8266530000e+00  3.0704900000e-01  1.6345320000e+00 -4.2591220000e+00 -4.3681900000e-01  2.0538930000e+00 -3.6643280000e+00  1.5679000000e-02  7.3732100000e-01
-ENERGY -1.526541251056e+02
-FORCES  3.3076000000e-03 -2.6719000000e-03  2.1879000000e-03 -2.1691000000e-03  2.8141000000e-03  1.5975000000e-03 -1.1179000000e-03 -1.3200000000e-04 -3.7757000000e-03 -1.0183000000e-03 -4.1821000000e-03 -2.0654000000e-03  1.7553000000e-03  3.0207000000e-03 -1.6669000000e-03 -7.5760000000e-04  1.1512000000e-03  3.7226000000e-03
-
-JOB 83
-COORDS  3.5478340000e+00 -1.7852130000e+00 -1.4480500000e+00  2.7497200000e+00 -1.2787760000e+00 -1.2971630000e+00  4.1967210000e+00 -1.1355990000e+00 -1.7185680000e+00 -3.5535230000e+00  1.6853770000e+00  1.4888440000e+00 -4.0274000000e+00  2.4585850000e+00  1.1825410000e+00 -2.7317010000e+00  1.6976040000e+00  9.9824200000e-01
-ENERGY -1.526538758201e+02
-FORCES -5.5530000000e-04  4.6337000000e-03 -4.6200000000e-04  3.2176000000e-03 -1.9816000000e-03 -6.3310000000e-04 -2.6972000000e-03 -2.6268000000e-03  1.1038000000e-03  1.3001000000e-03  3.2235000000e-03 -3.2023000000e-03  1.9867000000e-03 -3.1710000000e-03  1.2369000000e-03 -3.2518000000e-03 -7.7800000000e-05  1.9568000000e-03
-
-JOB 84
-COORDS  1.8424650000e+00  3.3133360000e+00 -2.5131780000e+00  2.4627750000e+00  3.8537210000e+00 -3.0024950000e+00  1.4460290000e+00  3.9144080000e+00 -1.8824780000e+00 -1.8483990000e+00 -3.3755350000e+00  2.5746780000e+00 -2.6199080000e+00 -3.6196190000e+00  2.0633770000e+00 -1.1854920000e+00 -3.1573850000e+00  1.9195460000e+00
-ENERGY -1.526542287044e+02
-FORCES  9.4810000000e-04  4.7144000000e-03  5.8380000000e-04 -2.5374000000e-03 -2.2126000000e-03  1.9899000000e-03  1.6022000000e-03 -2.4792000000e-03 -2.5858000000e-03 -3.8580000000e-04 -6.2100000000e-05 -4.8290000000e-03  3.1055000000e-03  9.7320000000e-04  2.1159000000e-03 -2.7326000000e-03 -9.3370000000e-04  2.7253000000e-03
-
-JOB 85
-COORDS -3.9723080000e+00  2.5411040000e+00  4.3597000000e-01 -3.3660720000e+00  3.2666040000e+00  2.8644100000e-01 -3.5830060000e+00  2.0480100000e+00  1.1581430000e+00  3.9097560000e+00 -2.5907760000e+00 -5.1469100000e-01  3.7417630000e+00 -1.6546220000e+00 -4.0686500000e-01  4.2538300000e+00 -2.8720610000e+00  3.3308500000e-01
-ENERGY -1.526539582854e+02
-FORCES  4.0064000000e-03  9.2790000000e-04  2.3052000000e-03 -2.4410000000e-03 -2.9715000000e-03  6.3090000000e-04 -1.5474000000e-03  2.0354000000e-03 -2.9364000000e-03  7.5860000000e-04  2.6216000000e-03  3.8535000000e-03  6.5390000000e-04 -3.7936000000e-03 -4.0230000000e-04 -1.4305000000e-03  1.1802000000e-03 -3.4508000000e-03
-
-JOB 86
-COORDS  1.1632000000e+00 -4.5491230000e+00 -1.3742860000e+00  1.1970030000e+00 -4.3151960000e+00 -4.4672600000e-01  2.0757490000e+00 -4.5222460000e+00 -1.6619750000e+00 -1.1777570000e+00  4.4867720000e+00  1.3083730000e+00 -9.4312400000e-01  4.9353590000e+00  2.1207460000e+00 -2.0032270000e+00  4.8908530000e+00  1.0408860000e+00
-ENERGY -1.526540927859e+02
-FORCES  3.8318000000e-03  1.2189000000e-03  2.6217000000e-03 -1.1810000000e-04 -1.0497000000e-03 -3.7713000000e-03 -3.7020000000e-03 -1.7160000000e-04  1.1608000000e-03 -2.4623000000e-03  3.4830000000e-03  2.1735000000e-03 -9.3150000000e-04 -1.8480000000e-03 -3.3005000000e-03  3.3821000000e-03 -1.6325000000e-03  1.1158000000e-03
-
-JOB 87
-COORDS -2.8673300000e+00  4.2309000000e+00 -1.9769000000e-01 -3.7949340000e+00  3.9990890000e+00 -1.5246400000e-01 -2.6649260000e+00  4.2294070000e+00 -1.1332440000e+00  2.8974310000e+00 -4.2706590000e+00  2.8018000000e-01  3.4824020000e+00 -3.5630600000e+00  5.5100100000e-01  2.5036730000e+00 -3.9580360000e+00 -5.3434600000e-01
-ENERGY -1.526540957274e+02
-FORCES -3.0269000000e-03 -9.1140000000e-04 -3.5994000000e-03  3.8056000000e-03  9.3940000000e-04 -2.0400000000e-04 -7.8180000000e-04 -2.6300000000e-05  3.8116000000e-03  7.6350000000e-04  4.2179000000e-03 -2.1641000000e-03 -2.3642000000e-03 -2.9161000000e-03 -1.1306000000e-03  1.6038000000e-03 -1.3035000000e-03  3.2865000000e-03
-
-JOB 88
-COORDS -1.0858090000e+00  1.2416200000e+00  5.5019260000e+00 -9.6655700000e-01  1.5481190000e+00  4.6029990000e+00 -9.0188200000e-01  2.0091100000e+00  6.0435550000e+00  1.1248520000e+00 -1.3273920000e+00 -5.4980300000e+00  5.1704100000e-01 -1.4951180000e+00 -4.7778450000e+00  7.3845600000e-01 -5.9069200000e-01 -5.9715310000e+00
-ENERGY -1.526540527532e+02
-FORCES  1.2731000000e-03  4.3861000000e-03 -1.4131000000e-03 -5.1240000000e-04 -1.2599000000e-03  3.6356000000e-03 -7.6340000000e-04 -3.1302000000e-03 -2.2253000000e-03 -4.0672000000e-03  2.2697000000e-03  9.8430000000e-04  2.4873000000e-03  7.2120000000e-04 -2.9307000000e-03  1.5826000000e-03 -2.9869000000e-03  1.9492000000e-03
-
-JOB 89
-COORDS  4.7541730000e+00  4.0460980000e+00  7.1872000000e-01  5.1333960000e+00  4.6259420000e+00  5.8264000000e-02  5.3354840000e+00  3.2857620000e+00  7.3278100000e-01 -4.8559730000e+00 -4.0718440000e+00 -6.4718000000e-01 -5.0540830000e+00 -3.3013830000e+00 -1.1795090000e+00 -3.9064420000e+00 -4.1723280000e+00 -7.1446000000e-01
-ENERGY -1.526540926846e+02
-FORCES  3.9544000000e-03 -7.0110000000e-04 -2.6030000000e-03 -1.5615000000e-03 -2.3808000000e-03  2.6819000000e-03 -2.3934000000e-03  3.0854000000e-03 -7.4800000000e-05  3.0740000000e-03  2.7745000000e-03 -2.4160000000e-03  7.9920000000e-04 -3.1615000000e-03  2.1529000000e-03 -3.8727000000e-03  3.8350000000e-04  2.5900000000e-04
-
-JOB 0
-COORDS  2.6662700000e-01 -1.1084070000e+00 -6.8395600000e-01  4.1441300000e-01 -3.1653700000e-01 -1.2009990000e+00  1.1242250000e+00 -1.5315460000e+00 -6.4259500000e-01 -3.5507100000e-01  1.1426290000e+00  7.1818800000e-01 -5.5937400000e-01  3.8761700000e-01  1.6641800000e-01  4.8803800000e-01  9.2730200000e-01  1.1169780000e+00
-ENERGY -1.526538546948e+02
-FORCES  3.7751000000e-03  5.4060000000e-03  2.5330000000e-03 -4.4437000000e-03 -2.1271000000e-03  7.4421000000e-03 -3.5425000000e-03  3.0148000000e-03 -4.0180000000e-04  4.7932000000e-03 -1.4870400000e-02 -1.1972000000e-03  4.9860000000e-04  5.8208000000e-03 -7.3563000000e-03 -1.0806000000e-03  2.7558000000e-03 -1.0199000000e-03
-
-JOB 1
-COORDS -4.9507200000e-01  1.1269840000e+00  5.6003000000e-01 -9.0870000000e-02  1.4557740000e+00 -2.4293300000e-01  2.1141100000e-01  1.1368680000e+00  1.2057980000e+00  4.2112900000e-01 -1.1952320000e+00 -5.8694400000e-01  1.2548940000e+00 -1.1894880000e+00 -1.1680100000e-01  3.5024000000e-02 -3.3926300000e-01 -4.0128200000e-01
-ENERGY -1.526527731890e+02
-FORCES  5.6850000000e-03 -1.4859000000e-03  1.0047000000e-03 -1.4736000000e-03 -1.0358800000e-02  3.2982000000e-03 -2.9600000000e-03 -1.3529000000e-03 -4.7835000000e-03 -4.8310000000e-03  1.1076700000e-02  9.5244000000e-03 -2.6715000000e-03  1.3086000000e-03 -1.0459000000e-03  6.2511000000e-03  8.1240000000e-04 -7.9980000000e-03
-
-JOB 2
-COORDS  1.1825660000e+00 -6.4774900000e-01  3.5277000000e-01  9.3790400000e-01 -1.5410870000e+00  1.1127600000e-01  4.6265400000e-01 -1.0604600000e-01  2.9480000000e-02 -1.1077710000e+00  6.5929200000e-01 -3.8104900000e-01 -1.6774180000e+00  6.8933000000e-02  1.1211400000e-01 -8.8864100000e-01  1.3548730000e+00  2.3893500000e-01
-ENERGY -1.526581398542e+02
-FORCES -1.3565200000e-02  4.8335000000e-03 -8.1635000000e-03 -2.5770000000e-04  2.5058000000e-03  1.3027000000e-03  7.1737000000e-03 -1.3466000000e-03  7.4827000000e-03 -1.7990000000e-04 -1.5575000000e-03  5.6857000000e-03  4.8540000000e-03  2.2769000000e-03 -2.7209000000e-03  1.9751000000e-03 -6.7120000000e-03 -3.5866000000e-03
-
-JOB 3
-COORDS -3.3830000000e-01 -6.5791400000e-01  1.0915850000e+00 -5.5383000000e-02 -4.6302400000e-01  1.9850090000e+00 -1.2363320000e+00 -3.2958100000e-01  1.0472210000e+00  3.5148300000e-01  6.7565000000e-01 -1.1684870000e+00  9.2003200000e-01  1.7614000000e-02 -1.5684520000e+00  2.3902200000e-01  3.7871600000e-01 -2.6548400000e-01
-ENERGY -1.526599318497e+02
-FORCES -2.2677000000e-03  1.9082000000e-03 -1.1270000000e-03 -1.7145000000e-03 -1.7730000000e-04 -5.3512000000e-03  6.7921000000e-03 -1.2110000000e-04  7.2300000000e-05 -5.1700000000e-04 -1.0424300000e-02  1.2136000000e-02 -1.2586000000e-03  1.9490000000e-03  8.8450000000e-04 -1.0343000000e-03  6.8655000000e-03 -6.6146000000e-03
-
-JOB 4
-COORDS -6.5877000000e-02  8.3031100000e-01  1.1279380000e+00 -8.8743500000e-01  1.0534120000e+00  6.9033200000e-01 -3.1625100000e-01  1.9575400000e-01  1.7994150000e+00  1.1731700000e-01 -7.6572200000e-01 -1.1852930000e+00 -9.3631000000e-02 -6.5490000000e-01 -2.5822700000e-01  3.7137900000e-01 -1.6851080000e+00 -1.2653670000e+00
-ENERGY -1.526550492763e+02
-FORCES -3.3859000000e-03  2.6694000000e-03 -1.3870000000e-04  5.0664000000e-03 -4.4580000000e-03  1.8454000000e-03  1.8888000000e-03  4.2310000000e-04 -6.9874000000e-03  2.1942000000e-03  3.0093000000e-03  8.1491000000e-03 -4.8897000000e-03 -5.3773000000e-03 -5.1075000000e-03 -8.7360000000e-04  3.7335000000e-03  2.2391000000e-03
-
-JOB 5
-COORDS -3.5646600000e-01 -1.0055460000e+00 -8.9238300000e-01 -1.2607740000e+00 -1.3156940000e+00 -8.4477800000e-01 -2.8137200000e-01 -6.1765400000e-01 -1.7642390000e+00  4.4816500000e-01  1.0102200000e+00  9.8311300000e-01  4.1787600000e-01  3.4503200000e-01  2.9548100000e-01 -3.8896300000e-01  1.4686790000e+00  9.1056000000e-01
-ENERGY -1.526596634919e+02
-FORCES -4.2886000000e-03 -2.2540000000e-04 -6.2610000000e-04  4.1585000000e-03  1.8883000000e-03 -1.5750000000e-03 -5.1520000000e-04 -6.0900000000e-04  5.6887000000e-03 -6.0848000000e-03 -7.7790000000e-03 -7.3782000000e-03  4.5300000000e-03  7.4821000000e-03  3.4641000000e-03  2.2002000000e-03 -7.5700000000e-04  4.2650000000e-04
-
-JOB 6
-COORDS  9.1099000000e-01  1.0753880000e+00 -4.6320500000e-01  6.9690100000e-01  1.4879270000e+00  3.7358000000e-01  7.4573300000e-01  1.4341800000e-01 -3.2054200000e-01 -8.4090100000e-01 -1.0096840000e+00  4.4154700000e-01 -9.0599600000e-01 -1.9447780000e+00  2.4765600000e-01 -1.6378350000e+00 -6.3149100000e-01  6.9932000000e-02
-ENERGY -1.526598550438e+02
-FORCES -5.6754000000e-03 -7.7687000000e-03  7.0359000000e-03  6.0000000000e-04  3.9540000000e-04 -3.0505000000e-03  5.2696000000e-03  4.6714000000e-03 -3.8399000000e-03 -4.4269000000e-03  5.7630000000e-04 -2.5295000000e-03  7.8020000000e-04  4.9230000000e-03 -4.0000000000e-07  3.4524000000e-03 -2.7974000000e-03  2.3844000000e-03
-
-JOB 7
-COORDS  9.7818500000e-01  4.0078400000e-01  9.3954200000e-01  1.9290140000e+00  2.9235200000e-01  9.1960900000e-01  6.6234000000e-01 -3.4427600000e-01  1.4507750000e+00 -1.0727300000e+00 -3.5747000000e-01 -9.9050100000e-01 -5.4233200000e-01 -1.1355600000e+00 -8.1878600000e-01 -5.1474000000e-01  3.7551000000e-01 -7.3046400000e-01
-ENERGY -1.526581767220e+02
-FORCES  9.5870000000e-04 -3.3974000000e-03  2.8274000000e-03 -4.8172000000e-03 -4.3990000000e-04 -2.8030000000e-04  2.3792000000e-03  2.6717000000e-03 -3.4638000000e-03  9.6131000000e-03  2.3496000000e-03  5.1670000000e-03 -2.6542000000e-03  3.7910000000e-04  1.1000000000e-05 -5.4796000000e-03 -1.5631000000e-03 -4.2614000000e-03
-
-JOB 8
-COORDS -1.3972380000e+00 -1.7820100000e-01 -3.6620400000e-01 -7.3186900000e-01  3.2198100000e-01  1.0637700000e-01 -2.1569260000e+00 -1.7708100000e-01  2.1612300000e-01  1.3398390000e+00  1.4668300000e-01  3.3336600000e-01  1.7152690000e+00 -3.7236900000e-01 -3.7787800000e-01  2.0486120000e+00  7.2993800000e-01  6.0482100000e-01
-ENERGY -1.526602515991e+02
-FORCES  5.7674000000e-03  1.9959000000e-03  4.7504000000e-03 -9.0508000000e-03 -6.9840000000e-04 -2.2915000000e-03  3.3543000000e-03  5.0860000000e-04 -1.2586000000e-03  2.9658000000e-03 -2.3108000000e-03 -3.6935000000e-03  1.9610000000e-04  3.2896000000e-03  3.9105000000e-03 -3.2327000000e-03 -2.7849000000e-03 -1.4173000000e-03
-
-JOB 9
-COORDS -9.5527300000e-01  7.6511000000e-01 -7.1739700000e-01 -1.8044100000e-01  7.0904300000e-01 -1.2766150000e+00 -1.6926120000e+00  7.6023700000e-01 -1.3277580000e+00  9.7665200000e-01 -7.8832600000e-01  8.3829600000e-01  1.1916150000e+00 -9.3177600000e-01 -8.3357000000e-02  2.6723400000e-01 -1.4591100000e-01  8.2208900000e-01
-ENERGY -1.526565870696e+02
-FORCES -9.5890000000e-04 -7.2030000000e-04 -4.2644000000e-03 -2.5584000000e-03 -1.8218000000e-03  4.1267000000e-03  4.1607000000e-03  6.6200000000e-05  1.8305000000e-03 -7.4424000000e-03  3.1706000000e-03 -5.1988000000e-03  2.1450000000e-04  1.6281000000e-03  1.6201000000e-03  6.5846000000e-03 -2.3227000000e-03  1.8858000000e-03
-
-JOB 10
-COORDS -2.0929700000e-01 -5.9215200000e-01  1.3739700000e+00  3.1684500000e-01 -1.9125600000e-01  6.8209600000e-01 -4.8157700000e-01 -1.4348250000e+00  1.0106570000e+00  1.8853200000e-01  6.3264000000e-01 -1.2406540000e+00  7.0294000000e-02 -2.0625500000e-01 -1.6861940000e+00  3.9357400000e-01  1.2503420000e+00 -1.9425330000e+00
-ENERGY -1.526572924534e+02
-FORCES  1.0388000000e-03  2.7390000000e-03 -8.0051000000e-03 -9.6510000000e-04 -5.9490000000e-03  5.5900000000e-03  1.0364000000e-03  2.7635000000e-03  3.0950000000e-04 -8.0750000000e-04  6.7860000000e-04 -4.1357000000e-03  1.3751000000e-03  3.2708000000e-03  3.7548000000e-03 -1.6777000000e-03 -3.5030000000e-03  2.4865000000e-03
-
-JOB 11
-COORDS  9.3634900000e-01 -9.1770600000e-01  5.8246400000e-01  1.3203220000e+00 -4.8506800000e-01  1.3451050000e+00  1.6879480000e+00 -1.2472540000e+00  8.9788000000e-02 -1.0045210000e+00  9.1743700000e-01 -6.6501300000e-01 -4.2724800000e-01  3.5045700000e-01 -1.5362000000e-01 -1.4621330000e+00  1.4462130000e+00 -1.1393000000e-02
-ENERGY -1.526609639040e+02
-FORCES  5.6188000000e-03 -8.1890000000e-04 -7.7300000000e-04 -2.6318000000e-03 -1.2733000000e-03 -4.2189000000e-03 -2.8374000000e-03  1.3772000000e-03  3.6390000000e-03  4.4669000000e-03 -5.3483000000e-03  5.3025000000e-03 -6.9949000000e-03  8.0792000000e-03 -2.6490000000e-03  2.3784000000e-03 -2.0158000000e-03 -1.3006000000e-03
-
-JOB 12
-COORDS  1.9896100000e-01 -2.5021400000e-01  1.4902200000e+00  4.7185400000e-01  5.7278000000e-02  6.2580700000e-01  8.4013000000e-02 -1.1945060000e+00  1.3837720000e+00 -1.5843000000e-01  2.5842300000e-01 -1.4227850000e+00 -1.0755790000e+00 -1.4958000000e-02 -1.4045240000e+00 -1.8544600000e-01  1.1698890000e+00 -1.7138740000e+00
-ENERGY -1.526601092858e+02
-FORCES  7.4410000000e-04 -1.4554000000e-03 -9.8676000000e-03  1.0184000000e-03 -4.3030000000e-04  8.8095000000e-03 -5.2530000000e-04  2.8602000000e-03  7.6240000000e-04 -5.8580000000e-03  2.2118000000e-03 -9.6420000000e-04  4.5453000000e-03  1.1037000000e-03 -7.4840000000e-04  7.5500000000e-05 -4.2899000000e-03  2.0082000000e-03
-
-JOB 13
-COORDS -7.0527400000e-01  1.0264880000e+00  8.7020000000e-01 -1.7028500000e-01  6.2562500000e-01  1.8512600000e-01 -1.5680450000e+00  1.1328560000e+00  4.6951900000e-01  7.0454500000e-01 -9.4502500000e-01 -8.3268800000e-01  1.5584030000e+00 -1.3641610000e+00 -9.3985400000e-01  1.5928500000e-01 -1.6137200000e+00 -4.1823700000e-01
-ENERGY -1.526609996860e+02
-FORCES  2.8365000000e-03 -2.7225000000e-03 -6.9388000000e-03 -6.4565000000e-03  4.3833000000e-03  5.7968000000e-03  2.8763000000e-03 -1.3417000000e-03  1.3006000000e-03  2.4466000000e-03 -4.6677000000e-03  1.8235000000e-03 -4.3369000000e-03  5.7410000000e-04  5.1750000000e-04  2.6339000000e-03  3.7746000000e-03 -2.4997000000e-03
-
-JOB 14
-COORDS  1.2046500000e+00  2.7613600000e-01  8.6426000000e-01  1.0562170000e+00  2.8608800000e-01  1.8098290000e+00  3.3456100000e-01  3.9524300000e-01  4.8348400000e-01 -1.1313230000e+00 -2.3382300000e-01 -8.8418800000e-01 -1.7088950000e+00 -7.4586400000e-01 -3.1809900000e-01 -9.7633300000e-01 -7.9775700000e-01 -1.6419400000e+00
-ENERGY -1.526595500066e+02
-FORCES -6.9350000000e-03  1.6500000000e-05 -3.0192000000e-03 -7.8770000000e-04 -6.1850000000e-04 -3.6387000000e-03  6.1149000000e-03  1.4918000000e-03  7.8422000000e-03  5.2500000000e-04 -5.9894000000e-03 -2.8058000000e-03  3.5007000000e-03  2.9941000000e-03 -1.6311000000e-03 -2.4179000000e-03  2.1056000000e-03  3.2526000000e-03
-
-JOB 15
-COORDS  1.0831240000e+00 -2.1198000000e-02 -1.0797610000e+00  1.6045420000e+00  6.5783200000e-01 -6.5165600000e-01  1.7644300000e-01  2.0832900000e-01 -8.7610100000e-01 -1.1037070000e+00  4.0170000000e-03  1.0608050000e+00 -1.8508700000e-01 -2.4674000000e-02  1.3282880000e+00 -1.1889820000e+00 -7.0119800000e-01  4.1921900000e-01
-ENERGY -1.526560229827e+02
-FORCES -3.3253000000e-03  6.4056000000e-03  2.7312000000e-03 -1.9058000000e-03 -3.6980000000e-03 -6.3580000000e-04  3.7336000000e-03 -5.2903000000e-03 -7.5210000000e-04  4.7381000000e-03 -6.3788000000e-03  7.6890000000e-04 -4.0994000000e-03  2.6459000000e-03 -1.9568000000e-03  8.5880000000e-04  6.3156000000e-03 -1.5530000000e-04
-
-JOB 16
-COORDS -4.3874700000e-01 -1.2418470000e+00 -5.4316900000e-01 -1.3387510000e+00 -1.5493060000e+00 -4.3503600000e-01 -1.9349300000e-01 -1.5226770000e+00 -1.4247680000e+00  5.3605000000e-01  1.2811680000e+00  6.1172500000e-01  1.4204200000e-01  5.7864200000e-01  9.4573000000e-02 -1.6084100000e-01  1.9307700000e+00  7.0441300000e-01
-ENERGY -1.526609009404e+02
-FORCES -2.1992000000e-03 -3.6496000000e-03 -2.1052000000e-03  4.2809000000e-03  1.5333000000e-03 -1.3275000000e-03 -1.9337000000e-03  1.4253000000e-03  4.3410000000e-03 -5.0014000000e-03 -6.3205000000e-03 -3.4870000000e-03  3.1951000000e-03  9.6726000000e-03  3.0424000000e-03  1.6584000000e-03 -2.6611000000e-03 -4.6370000000e-04
-
-JOB 17
-COORDS  5.3291900000e-01  1.3214820000e+00  3.3514800000e-01  1.0732210000e+00  2.1115700000e+00  3.4333000000e-01  7.1533400000e-01  9.1476200000e-01 -5.1192600000e-01 -5.9596700000e-01 -1.3606150000e+00 -3.4707900000e-01  1.3441300000e-01 -1.7456370000e+00  1.3721000000e-01 -9.2652900000e-01 -6.6939500000e-01  2.2665900000e-01
-ENERGY -1.526597546598e+02
-FORCES  2.2679000000e-03  1.0123000000e-03 -4.1435000000e-03 -1.6511000000e-03 -3.8647000000e-03 -9.4820000000e-04  2.0670000000e-04  3.8551000000e-03  5.0498000000e-03  9.7900000000e-04  2.3959000000e-03  7.2751000000e-03 -2.3115000000e-03  1.1231000000e-03 -3.0222000000e-03  5.0900000000e-04 -4.5217000000e-03 -4.2110000000e-03
-
-JOB 18
-COORDS  1.1309860000e+00  9.7272000000e-01  1.0073200000e-01  1.3319800000e+00  1.7726850000e+00  5.8641600000e-01  3.1054200000e-01  6.6017800000e-01  4.8207400000e-01 -1.0634250000e+00 -9.5189600000e-01 -2.0415700000e-01 -6.2856300000e-01 -1.5885060000e+00  3.6316500000e-01 -1.9884030000e+00 -1.0095260000e+00  3.5273000000e-02
-ENERGY -1.526576456684e+02
-FORCES -5.9608000000e-03 -8.8290000000e-04  7.5720000000e-04 -1.8806000000e-03 -3.3096000000e-03 -1.6596000000e-03  7.5752000000e-03  3.8338000000e-03  2.9689000000e-03 -2.1399000000e-03 -5.4406000000e-03  2.0030000000e-04 -2.3792000000e-03  5.0136000000e-03 -1.5976000000e-03  4.7855000000e-03  7.8580000000e-04 -6.6920000000e-04
-
-JOB 19
-COORDS -2.9968300000e-01  1.7463500000e-01  1.4786370000e+00  2.4767700000e-01 -3.6749500000e-01  2.0467250000e+00  2.6486300000e-01  3.9060500000e-01  7.3642500000e-01  2.0346500000e-01 -9.6325000000e-02 -1.4477320000e+00  3.4317200000e-01 -8.9284900000e-01 -9.3561500000e-01  6.3678900000e-01 -2.6928700000e-01 -2.2835230000e+00
-ENERGY -1.526568281637e+02
-FORCES  3.6947000000e-03  2.2936000000e-03 -2.5211000000e-03 -2.0598000000e-03  1.2022000000e-03 -3.7605000000e-03 -1.6363000000e-03 -4.9303000000e-03  6.1076000000e-03  8.6100000000e-05 -4.5227000000e-03 -2.9411000000e-03  2.2107000000e-03  6.0579000000e-03 -8.9580000000e-04 -2.2954000000e-03 -1.0070000000e-04  4.0109000000e-03
-
-JOB 20
-COORDS -6.5673400000e-01  1.0266620000e+00 -8.3260300000e-01 -1.0861010000e+00  1.3319390000e+00 -3.3427000000e-02 -2.6368100000e-01  1.8138360000e+00 -1.2095630000e+00  6.8248300000e-01 -1.1408500000e+00  8.1574300000e-01  2.2498200000e-01 -8.1010700000e-01  4.2739000000e-02  6.3583700000e-01 -4.2329300000e-01  1.4475410000e+00
-ENERGY -1.526586069046e+02
-FORCES  2.4660000000e-04  5.5199000000e-03  5.1700000000e-04  3.4244000000e-03 -2.3015000000e-03 -2.9310000000e-03 -2.4128000000e-03 -3.0614000000e-03  2.3771000000e-03 -2.9539000000e-03  7.8552000000e-03 -4.5164000000e-03  1.9863000000e-03 -5.7789000000e-03  5.3001000000e-03 -2.9070000000e-04 -2.2333000000e-03 -7.4670000000e-04
-
-JOB 21
-COORDS -6.8502600000e-01  1.2816470000e+00  3.2029400000e-01 -1.3718730000e+00  1.0090930000e+00  9.2872500000e-01 -4.7656000000e-02  1.7402720000e+00  8.6770200000e-01  7.5415500000e-01 -1.2948860000e+00 -4.0355700000e-01  3.6257300000e-01 -4.9058000000e-01 -6.2988000000e-02  1.0159300000e-01 -1.9727030000e+00 -2.2760500000e-01
-ENERGY -1.526599263154e+02
-FORCES -2.2644000000e-03  4.5802000000e-03  4.3982000000e-03  4.4200000000e-03 -1.6600000000e-05 -3.1835000000e-03 -3.0258000000e-03 -4.0357000000e-03 -2.8660000000e-03 -6.7442000000e-03  5.9115000000e-03  1.4808000000e-03  5.7820000000e-03 -8.8429000000e-03  2.6380000000e-04  1.8324000000e-03  2.4035000000e-03 -9.3400000000e-05
-
-JOB 22
-COORDS -8.5183600000e-01 -6.5403500000e-01  1.1404910000e+00 -7.7338100000e-01 -1.3461500000e-01  3.4031600000e-01 -1.5873100000e-01 -1.3103840000e+00  1.0694730000e+00  7.4700700000e-01  6.7209600000e-01 -1.0897750000e+00  1.4512110000e+00  1.3160700000e+00 -1.0147710000e+00  1.1977140000e+00 -1.6249600000e-01 -1.2184280000e+00
-ENERGY -1.526579838869e+02
-FORCES  5.6060000000e-03  3.1818000000e-03 -6.3049000000e-03 -3.9682000000e-03 -5.1945000000e-03  4.8098000000e-03 -1.9195000000e-03  1.3577000000e-03  6.8900000000e-05  5.8483000000e-03  1.0180000000e-03  4.1850000000e-04 -2.4968000000e-03 -3.5183000000e-03 -1.0654000000e-03 -3.0697000000e-03  3.1553000000e-03  2.0732000000e-03
-
-JOB 23
-COORDS  4.2801700000e-01  1.2046370000e+00  8.2046900000e-01 -1.5490600000e-01  1.9230770000e+00  1.0659830000e+00 -6.1168000000e-02  4.1227100000e-01  1.0420230000e+00 -3.9395200000e-01 -1.2566500000e+00 -8.1107000000e-01 -7.2026300000e-01 -3.5797300000e-01 -7.6488600000e-01  3.2689800000e-01 -1.2182200000e+00 -1.4396630000e+00
-ENERGY -1.526569534250e+02
-FORCES -1.7875000000e-03 -2.0821000000e-03  4.3167000000e-03  1.7676000000e-03 -4.0193000000e-03 -2.2452000000e-03 -2.4440000000e-04  6.2110000000e-03 -3.2849000000e-03  4.4238000000e-03  6.0052000000e-03 -3.9999000000e-03 -7.0540000000e-04 -4.8316000000e-03  3.4261000000e-03 -3.4541000000e-03 -1.2831000000e-03  1.7872000000e-03
-
-JOB 24
-COORDS  1.0491820000e+00  6.7299300000e-01  9.5837300000e-01  1.7618600000e-01  7.3600000000e-01  5.7089400000e-01  1.0818630000e+00 -2.0657800000e-01  1.3345640000e+00 -1.0056830000e+00 -5.5844300000e-01 -9.4800500000e-01 -2.9060100000e-01 -1.1817910000e+00 -8.2022200000e-01 -1.7212900000e+00 -1.0841250000e+00 -1.3054900000e+00
-ENERGY -1.526581157192e+02
-FORCES -6.4702000000e-03 -2.3565000000e-03 -9.9850000000e-04  6.5137000000e-03  5.0020000000e-04  3.6916000000e-03  4.8760000000e-04  2.1900000000e-03 -2.5994000000e-03 -3.1080000000e-04 -4.6647000000e-03 -2.8640000000e-03 -4.1154000000e-03  2.7484000000e-03  1.2935000000e-03  3.8952000000e-03  1.5827000000e-03  1.4768000000e-03
-
-JOB 25
-COORDS -1.2728430000e+00 -2.0370700000e-01  8.3914200000e-01 -1.5356480000e+00 -1.0943330000e+00  1.0714170000e+00 -3.4921600000e-01 -2.8070900000e-01  5.9994100000e-01  1.2062020000e+00  2.5051200000e-01 -7.9225600000e-01  9.0318000000e-01  5.3121500000e-01 -1.6557460000e+00  2.1554800000e+00  1.7035600000e-01 -8.8540800000e-01
-ENERGY -1.526607183449e+02
-FORCES  6.2114000000e-03 -2.1029000000e-03 -2.2286000000e-03  1.3673000000e-03  2.8869000000e-03 -1.0302000000e-03 -7.9873000000e-03 -1.7114000000e-03  4.9183000000e-03  1.6625000000e-03  1.9519000000e-03 -4.6957000000e-03  3.0090000000e-03 -1.4229000000e-03  3.3705000000e-03 -4.2629000000e-03  3.9860000000e-04 -3.3420000000e-04
-
-JOB 26
-COORDS -4.8080400000e-01  1.3083670000e+00 -5.0174500000e-01 -7.7650000000e-01  1.1534180000e+00 -1.3988440000e+00 -5.8797500000e-01  2.2508130000e+00 -3.7313600000e-01  4.4257000000e-01 -1.3568720000e+00  5.7041500000e-01  9.0796000000e-01 -1.9378050000e+00 -3.1383000000e-02  9.3408800000e-01 -5.3607300000e-01  5.3989600000e-01
-ENERGY -1.526555320996e+02
-FORCES -3.7300000000e-03  1.3748000000e-03 -3.8374000000e-03  1.6996000000e-03  1.6502000000e-03  3.4803000000e-03  7.8650000000e-04 -4.5523000000e-03 -2.3050000000e-04  2.2350000000e-03  5.2903000000e-03 -2.9322000000e-03 -2.2473000000e-03  2.4341000000e-03  1.6194000000e-03  1.2561000000e-03 -6.1970000000e-03  1.9004000000e-03
-
-JOB 27
-COORDS  2.0988700000e-01  1.3841670000e+00  7.6535900000e-01 -1.1029800000e-01  1.8271150000e+00 -2.0459000000e-02 -2.5292000000e-02  4.6542100000e-01  6.3563500000e-01 -1.3545600000e-01 -1.3549870000e+00 -7.6204800000e-01 -1.0496970000e+00 -1.0906830000e+00 -8.6471200000e-01 -8.3251000000e-02 -1.6968500000e+00  1.3049600000e-01
-ENERGY -1.526549326034e+02
-FORCES -3.8050000000e-04 -4.6833000000e-03 -7.8772000000e-03  2.7340000000e-04 -6.8150000000e-04  3.4636000000e-03 -1.8543000000e-03  2.7841000000e-03  5.4464000000e-03 -3.2618000000e-03 -3.9902000000e-03  8.7860000000e-04  5.5923000000e-03  9.9430000000e-04  1.8042000000e-03 -3.6910000000e-04  5.5766000000e-03 -3.7154000000e-03
-
-JOB 28
-COORDS  2.5233400000e-01 -1.4989620000e+00  3.5680800000e-01  6.6073100000e-01 -1.8464050000e+00 -4.3611500000e-01  8.4468900000e-01 -8.0566600000e-01  6.4782000000e-01 -2.5067900000e-01  1.5039700000e+00 -3.5826300000e-01 -8.5536500000e-01  2.0041170000e+00  1.8986100000e-01 -6.1681300000e-01  6.1971000000e-01 -3.7441300000e-01
-ENERGY -1.526600517583e+02
-FORCES  6.8607000000e-03  2.2570000000e-04 -5.8180000000e-04 -2.4000000000e-03  2.0986000000e-03  3.2467000000e-03 -4.2509000000e-03 -4.0912000000e-03 -1.7353000000e-03 -5.1907000000e-03 -3.3180000000e-03  1.5425000000e-03  2.4379000000e-03 -2.2819000000e-03 -1.8420000000e-03  2.5429000000e-03  7.3668000000e-03 -6.3000000000e-04
-
-JOB 29
-COORDS  2.5216900000e-01 -4.8031400000e-01  1.5157810000e+00  1.3821400000e-01 -7.7692100000e-01  6.1285800000e-01  2.3248000000e-01  4.7499000000e-01  1.4588650000e+00 -2.7532000000e-01  4.7021300000e-01 -1.4058740000e+00  5.1890000000e-01  7.4789900000e-01 -1.8623140000e+00 -6.0045600000e-01 -2.6983100000e-01 -1.9185660000e+00
-ENERGY -1.526583855031e+02
-FORCES -2.1289000000e-03  5.4635000000e-03 -8.4821000000e-03  1.0635000000e-03 -3.9130000000e-03  4.9561000000e-03  1.2043000000e-03 -2.6371000000e-03  2.9568000000e-03  1.2279000000e-03 -7.2200000000e-05 -5.6919000000e-03 -3.7961000000e-03 -1.5156000000e-03  2.5221000000e-03  2.4293000000e-03  2.6745000000e-03  3.7390000000e-03
-
-JOB 30
-COORDS  1.4013230000e+00 -3.4917200000e-01 -6.4156800000e-01  2.3250140000e+00 -2.9688700000e-01 -3.9602100000e-01  9.3809600000e-01  8.9445000000e-02  7.2063000000e-02 -1.4114400000e+00  2.8778900000e-01  5.2064900000e-01 -2.0938440000e+00  2.8467000000e-02  1.1397690000e+00 -1.0390630000e+00  1.0863900000e+00  8.9455100000e-01
-ENERGY -1.526543104377e+02
-FORCES -1.3862000000e-03  8.7690000000e-04  4.0438000000e-03 -4.2256000000e-03 -6.2800000000e-05 -5.6100000000e-04  5.5995000000e-03  1.5941000000e-03 -2.2013000000e-03 -4.4933000000e-03  1.3970000000e-03  3.7509000000e-03  2.8397000000e-03  1.6353000000e-03 -2.9592000000e-03  1.6658000000e-03 -5.4404000000e-03 -2.0731000000e-03
-
-JOB 31
-COORDS  7.3134600000e-01  1.0131170000e+00 -1.0740140000e+00  7.3662800000e-01  7.7971000000e-02 -8.6979500000e-01 -7.8070000000e-02  1.3399610000e+00 -6.8126600000e-01 -7.3779900000e-01 -1.0136430000e+00  1.0370340000e+00 -4.7940200000e-01 -4.2103300000e-01  1.7429210000e+00 -1.6435000000e-02 -9.6831600000e-01  4.0949000000e-01
-ENERGY -1.526502774269e+02
-FORCES -5.7920000000e-03 -2.0627000000e-03  1.5411000000e-03 -7.5210000000e-04 -1.5610000000e-04  4.3546000000e-03  4.9366000000e-03 -6.8560000000e-04 -1.4139000000e-03  5.0296000000e-03  2.4082000000e-03  2.2429000000e-03 -2.0240000000e-03 -2.4855000000e-03 -3.7302000000e-03 -1.3982000000e-03  2.9818000000e-03 -2.9944000000e-03
-
-JOB 32
-COORDS -6.8688000000e-01 -1.2133530000e+00 -8.4889900000e-01 -2.5766700000e-01 -4.6944100000e-01 -4.2628300000e-01 -6.5285800000e-01 -1.9126150000e+00 -1.9613000000e-01  7.1256100000e-01  1.2002460000e+00  7.4993400000e-01  2.8581000000e-02  1.8628290000e+00  6.5304800000e-01  4.9482300000e-01  7.4795600000e-01  1.5649530000e+00
-ENERGY -1.526591381744e+02
-FORCES  4.7169000000e-03  2.9342000000e-03  4.4182000000e-03 -6.1810000000e-03 -7.0386000000e-03 -2.7167000000e-03 -2.4400000000e-04  2.8737000000e-03 -1.6649000000e-03 -1.6032000000e-03  5.1000000000e-03  5.3515000000e-03  3.1459000000e-03 -4.4259000000e-03  2.3270000000e-04  1.6540000000e-04  5.5660000000e-04 -5.6208000000e-03
-
-JOB 33
-COORDS -2.6265100000e-01 -3.5060300000e-01  1.5356850000e+00 -2.5654100000e-01 -1.3077190000e+00  1.5468350000e+00  6.5633900000e-01 -1.0599600000e-01  1.4268010000e+00  1.8635700000e-01  4.2056700000e-01 -1.5729170000e+00  1.1313080000e+00  3.3761700000e-01 -1.4447760000e+00 -1.9740700000e-01 -1.3940000000e-01 -8.9808800000e-01
-ENERGY -1.526559436888e+02
-FORCES  4.0779000000e-03 -1.5890000000e-03  3.9429000000e-03  4.5200000000e-05  5.0661000000e-03 -2.1765000000e-03 -4.4048000000e-03 -2.1015000000e-03 -1.4380000000e-03  1.1240000000e-04 -2.4047000000e-03  5.7374000000e-03 -3.3384000000e-03  2.4230000000e-04  5.2530000000e-04  3.5077000000e-03  7.8690000000e-04 -6.5911000000e-03
-
-JOB 34
-COORDS -6.0566300000e-01 -1.0694750000e+00 -1.1657140000e+00 -1.4877700000e-01 -1.6349550000e+00 -5.4304200000e-01 -3.8979100000e-01 -1.8008500000e-01 -8.8532900000e-01  5.1155000000e-01  1.0642370000e+00  1.0952230000e+00  7.2989800000e-01  9.0556800000e-01  2.0135800000e+00  1.3406340000e+00  9.5595500000e-01  6.2925500000e-01
-ENERGY -1.526571608534e+02
-FORCES  1.6752000000e-03  3.1822000000e-03  6.8990000000e-03 -9.6830000000e-04  8.4570000000e-04 -3.0795000000e-03  5.4660000000e-04 -4.1095000000e-03 -5.1931000000e-03  4.3245000000e-03  3.1210000000e-04  4.6581000000e-03 -3.1830000000e-04  6.9070000000e-04 -4.2403000000e-03 -5.2597000000e-03 -9.2120000000e-04  9.5580000000e-04
-
-JOB 35
-COORDS -6.7694800000e-01 -8.8507400000e-01 -1.1768630000e+00 -2.9770300000e-01 -1.6713820000e+00 -7.8427600000e-01 -7.5711800000e-01 -1.0960330000e+00 -2.1070790000e+00  6.1183200000e-01  9.3066700000e-01  1.2313500000e+00  8.0506800000e-01  1.1309930000e+00  3.1551000000e-01  1.4707100000e+00  8.6057900000e-01  1.6480610000e+00
-ENERGY -1.526553885086e+02
-FORCES  1.3860000000e-04 -5.5040000000e-03 -6.2710000000e-04 -1.3960000000e-03  2.8687000000e-03 -2.9696000000e-03  7.4900000000e-04  1.4085000000e-03  4.1506000000e-03  2.6711000000e-03  6.4800000000e-04 -4.0997000000e-03  1.3402000000e-03  1.0149000000e-03  5.3783000000e-03 -3.5030000000e-03 -4.3630000000e-04 -1.8325000000e-03
-
-JOB 36
-COORDS -1.5457910000e+00  6.6452200000e-01 -1.1586800000e-01 -1.8920860000e+00  1.0160200000e+00 -9.3608800000e-01 -7.7556000000e-01  1.5988600000e-01 -3.7724800000e-01  1.4922320000e+00 -6.0002600000e-01  1.6310900000e-01  2.3677480000e+00 -7.4096400000e-01  5.2344300000e-01  1.1780590000e+00 -1.4776670000e+00 -5.4315000000e-02
-ENERGY -1.526566793291e+02
-FORCES  4.4428000000e-03  3.8300000000e-05 -3.3102000000e-03  1.3467000000e-03 -1.4760000000e-03  3.0806000000e-03 -7.1267000000e-03  1.9000000000e-06 -8.0420000000e-04  5.0359000000e-03 -3.5449000000e-03  2.7502000000e-03 -3.5393000000e-03 -2.4680000000e-04 -1.7686000000e-03 -1.5940000000e-04  5.2276000000e-03  5.2200000000e-05
-
-JOB 37
-COORDS -1.3317700000e-01 -1.6189270000e+00 -3.8662000000e-02  7.5712400000e-01 -1.9541250000e+00 -1.4466700000e-01 -6.7739600000e-01 -2.2171550000e+00 -5.5069900000e-01  1.4759200000e-01  1.6966880000e+00  8.0546000000e-02 -6.2130500000e-01  1.4487150000e+00  5.9390700000e-01  6.6674000000e-02  1.1948530000e+00 -7.3053100000e-01
-ENERGY -1.526566694293e+02
-FORCES  2.8323000000e-03 -5.0025000000e-03 -1.0767000000e-03 -4.2806000000e-03  1.0371000000e-03 -1.8800000000e-04  2.2617000000e-03  3.3764000000e-03  1.9697000000e-03 -3.9065000000e-03 -7.1819000000e-03 -5.8230000000e-04  2.1866000000e-03  3.2503000000e-03 -1.4730000000e-03  9.0650000000e-04  4.5206000000e-03  1.3503000000e-03
-
-JOB 38
-COORDS -8.2096900000e-01  1.3962070000e+00  2.7107100000e-01 -1.5994660000e+00  1.9345990000e+00  1.2856100000e-01 -7.2728200000e-01  1.3569420000e+00  1.2228660000e+00  8.1464000000e-01 -1.4764860000e+00 -3.3763700000e-01  6.7265800000e-01 -5.3004200000e-01 -3.5544700000e-01  1.7110350000e+00 -1.5787090000e+00 -1.7860000000e-02
-ENERGY -1.526583462131e+02
-FORCES -5.1804000000e-03  2.6902000000e-03  2.9974000000e-03  3.2041000000e-03 -1.8265000000e-03  1.4987000000e-03  2.5960000000e-04  4.0560000000e-04 -4.4156000000e-03  1.2154000000e-03  5.0428000000e-03  1.8110000000e-04  4.0162000000e-03 -6.9510000000e-03  4.8480000000e-04 -3.5149000000e-03  6.3890000000e-04 -7.4640000000e-04
-
-JOB 39
-COORDS -3.7757100000e-01  1.2632870000e+00  1.0432950000e+00 -2.5664300000e-01  1.2522090000e+00  9.3829000000e-02 -5.3042800000e-01  2.1841770000e+00  1.2550240000e+00  4.0148200000e-01 -1.3593870000e+00 -9.6372000000e-01  7.9479600000e-01 -4.8674400000e-01 -9.6917900000e-01 -2.9229500000e-01 -1.3140480000e+00 -1.6216330000e+00
-ENERGY -1.526515038295e+02
-FORCES -9.8720000000e-04  3.6130000000e-03 -2.4665000000e-03  1.5239000000e-03 -4.2590000000e-04  2.5498000000e-03  5.6500000000e-04 -4.4299000000e-03 -9.3610000000e-04 -7.5020000000e-04  2.4442000000e-03 -1.6944000000e-03 -3.4737000000e-03 -1.7690000000e-03 -4.5820000000e-04  3.1221000000e-03  5.6760000000e-04  3.0054000000e-03
-
-JOB 40
-COORDS -9.9453500000e-01 -1.2985750000e+00 -1.1395000000e-02 -1.5682000000e+00 -1.3089160000e+00  7.5478600000e-01 -1.3875480000e+00 -1.9299570000e+00 -6.1399700000e-01  1.0723080000e+00  1.3962380000e+00  2.0600000000e-04  1.2247580000e+00  6.2933400000e-01 -5.5192500000e-01  4.8735700000e-01  1.0828560000e+00  6.9003000000e-01
-ENERGY -1.526571355524e+02
-FORCES -5.0225000000e-03 -3.4019000000e-03 -6.4200000000e-05  2.8645000000e-03  5.5180000000e-04 -3.1328000000e-03  1.6391000000e-03  2.5394000000e-03  2.7844000000e-03 -3.9436000000e-03 -7.1695000000e-03 -1.2070000000e-04  1.8562000000e-03  4.2620000000e-03  1.0064000000e-03  2.6064000000e-03  3.2181000000e-03 -4.7310000000e-04
-
-JOB 41
-COORDS -9.9071000000e-01  1.3399820000e+00  6.2389800000e-01 -3.1527500000e-01  1.3280180000e+00 -5.4244000000e-02 -8.9984700000e-01  4.9693000000e-01  1.0680140000e+00  9.3628700000e-01 -1.2831670000e+00 -5.5324700000e-01  7.6094200000e-01 -7.2166300000e-01 -1.3083620000e+00  1.3544840000e+00 -2.0602690000e+00 -9.2399600000e-01
-ENERGY -1.526559757833e+02
-FORCES  4.3612000000e-03 -5.2206000000e-03  5.2100000000e-05 -2.9345000000e-03  6.6960000000e-04  5.4350000000e-04 -1.9824000000e-03  4.7952000000e-03 -9.4010000000e-04  1.8798000000e-03 -2.8625000000e-03 -5.4291000000e-03  5.4100000000e-04 -8.2330000000e-04  4.4169000000e-03 -1.8651000000e-03  3.4415000000e-03  1.3566000000e-03
-
-JOB 42
-COORDS  6.9397300000e-01 -6.9487800000e-01  1.4320760000e+00  1.0839200000e-01 -1.0859770000e+00  7.8371800000e-01  5.0956200000e-01 -1.1723320000e+00  2.2409410000e+00 -6.5565700000e-01  6.8624000000e-01 -1.4873410000e+00 -1.9773600000e-01  7.7029000000e-01 -6.5099500000e-01 -1.0366870000e+00  1.5509120000e+00 -1.6402800000e+00
-ENERGY -1.526574862281e+02
-FORCES -2.7484000000e-03 -5.5372000000e-03  2.1575000000e-03  3.0288000000e-03  4.1680000000e-03  3.0741000000e-03  8.6940000000e-04  1.6231000000e-03 -3.4406000000e-03  9.9930000000e-04  5.4108000000e-03  2.7670000000e-03 -3.6627000000e-03 -2.3224000000e-03 -4.9903000000e-03  1.5135000000e-03 -3.3422000000e-03  4.3220000000e-04
-
-JOB 43
-COORDS -6.3019500000e-01 -1.0361440000e+00  1.3408910000e+00 -2.2543000000e-02 -4.9679800000e-01  8.3483000000e-01 -1.1908400000e+00 -1.4475710000e+00  6.8314000000e-01  6.4578600000e-01  1.0933590000e+00 -1.2955850000e+00 -2.0198800000e-01  6.6753000000e-01 -1.1683820000e+00  1.2831390000e+00  4.6567100000e-01 -9.5496600000e-01
-ENERGY -1.526523298836e+02
-FORCES -7.1200000000e-05  4.4310000000e-04 -3.3929000000e-03 -2.4629000000e-03 -3.2333000000e-03  7.0400000000e-05  2.9040000000e-03  2.7349000000e-03  2.2516000000e-03 -3.7570000000e-04 -3.1183000000e-03 -5.4390000000e-04  4.7607000000e-03  6.3940000000e-04  1.2646000000e-03 -4.7549000000e-03  2.5343000000e-03  3.5020000000e-04
-
-JOB 44
-COORDS  8.3060700000e-01 -1.3222360000e+00 -6.4228500000e-01  8.7039500000e-01 -1.5874890000e+00 -1.5611370000e+00  1.0173490000e+00 -2.1234070000e+00 -1.5291400000e-01 -9.0015100000e-01  1.4022150000e+00  6.4794500000e-01 -5.6893100000e-01  1.3339060000e+00  1.5434100000e+00 -1.7237900000e-01  1.1087040000e+00  9.9829000000e-02
-ENERGY -1.526572976736e+02
-FORCES  2.6600000000e-04 -5.8431000000e-03 -1.6823000000e-03  4.4200000000e-05  1.1307000000e-03  3.9895000000e-03 -4.2660000000e-04  3.1838000000e-03 -2.3316000000e-03  5.3499000000e-03 -4.1118000000e-03  3.1710000000e-04 -1.5347000000e-03  6.5490000000e-04 -2.7385000000e-03 -3.6989000000e-03  4.9856000000e-03  2.4457000000e-03
-
-JOB 45
-COORDS  7.4733700000e-01 -5.3283600000e-01  1.5656190000e+00  6.2113000000e-02 -9.2962800000e-01  1.0277940000e+00  1.4684940000e+00 -3.7381900000e-01  9.5662000000e-01 -7.4282100000e-01  4.9707000000e-01 -1.4547210000e+00 -1.5378370000e+00  8.9973700000e-01 -1.8040630000e+00 -2.8258000000e-02  9.4228200000e-01 -1.9101500000e+00
-ENERGY -1.526562963532e+02
-FORCES -1.6605000000e-03  8.5900000000e-05 -6.8513000000e-03  3.3688000000e-03 -3.2300000000e-04  4.4010000000e-03 -1.4577000000e-03 -5.4730000000e-04  2.7424000000e-03 -1.0503000000e-03  4.7040000000e-03 -3.4509000000e-03  3.4726000000e-03 -1.6728000000e-03  1.2038000000e-03 -2.6728000000e-03 -2.2469000000e-03  1.9549000000e-03
-
-JOB 46
-COORDS  1.5333470000e+00  4.4272800000e-01 -8.0433300000e-01  1.6433780000e+00 -4.8663500000e-01 -1.0053550000e+00  9.1157800000e-01  7.5815200000e-01 -1.4601850000e+00 -1.5368080000e+00 -4.3342600000e-01  9.0250700000e-01 -1.7955550000e+00  1.7783700000e-01  2.1284200000e-01 -5.8578800000e-01 -5.0182600000e-01  8.1816400000e-01
-ENERGY -1.526561577256e+02
-FORCES  6.5450000000e-04 -1.5315000000e-03 -5.8691000000e-03 -1.6270000000e-03  4.2943000000e-03  2.0335000000e-03  1.7719000000e-03 -1.7243000000e-03  3.8625000000e-03  4.4822000000e-03  3.6844000000e-03 -2.5544000000e-03  4.1710000000e-04 -2.6237000000e-03  1.9146000000e-03 -5.6988000000e-03 -2.0991000000e-03  6.1290000000e-04
-
-JOB 47
-COORDS -2.9805200000e-01  1.4607820000e+00  1.0943740000e+00 -1.1180010000e+00  1.0231710000e+00  8.6544000000e-01  2.7946200000e-01  1.2932360000e+00  3.4963400000e-01  2.5854100000e-01 -1.3937870000e+00 -1.0312410000e+00  1.1140750000e+00 -1.0936280000e+00 -7.2432300000e-01  4.2651200000e-01 -2.2611180000e+00 -1.3996890000e+00
-ENERGY -1.526557903672e+02
-FORCES -2.2394000000e-03 -3.7029000000e-03 -5.0648000000e-03  2.7459000000e-03  3.0705000000e-03  2.0057000000e-03 -2.8170000000e-04  8.9290000000e-04  3.5285000000e-03  4.4409000000e-03 -4.2175000000e-03 -4.7880000000e-04 -4.1131000000e-03  3.1070000000e-04 -1.6491000000e-03 -5.5250000000e-04  3.6463000000e-03  1.6586000000e-03
-
-JOB 48
-COORDS  5.8445000000e-01 -1.0487480000e+00 -1.3404850000e+00  8.6067000000e-01 -1.6088680000e+00 -6.1508800000e-01 -3.1947000000e-01 -1.3107080000e+00 -1.5152350000e+00 -4.9918200000e-01  1.1349500000e+00  1.3247090000e+00 -7.1343000000e-01  4.2012900000e-01  1.9241750000e+00 -1.1333840000e+00  1.0494350000e+00  6.1287500000e-01
-ENERGY -1.526528630255e+02
-FORCES -1.2775000000e-03 -3.0195000000e-03  2.9659000000e-03 -1.5500000000e-03  1.5780000000e-03 -3.3049000000e-03  3.1761000000e-03  1.8322000000e-03  1.2768000000e-03 -2.6564000000e-03 -3.2329000000e-03 -2.1648000000e-03  1.0422000000e-03  2.4300000000e-03 -2.5162000000e-03  1.2657000000e-03  4.1220000000e-04  3.7432000000e-03
-
-JOB 49
-COORDS  4.3874400000e-01  1.6920220000e+00 -6.9440100000e-01  5.9551500000e-01  1.1755640000e+00  9.6121000000e-02 -5.1229100000e-01  1.7947140000e+00 -7.2929600000e-01 -4.2627900000e-01 -1.6802480000e+00  7.0664900000e-01  3.1451600000e-01 -2.1766040000e+00  3.5867600000e-01 -5.8663900000e-01 -9.9899000000e-01  5.3653000000e-02
-ENERGY -1.526554201558e+02
-FORCES -2.4540000000e-03  1.0398000000e-03  4.2843000000e-03 -1.4587000000e-03  1.2943000000e-03 -5.3768000000e-03  4.2311000000e-03 -1.9288000000e-03 -1.6740000000e-04  2.1749000000e-03 -1.1811000000e-03 -5.3048000000e-03 -3.1610000000e-03  2.2454000000e-03  1.9365000000e-03  6.6760000000e-04 -1.4695000000e-03  4.6281000000e-03
-
-JOB 50
-COORDS  8.3549000000e-01 -3.6499800000e-01 -1.6081550000e+00  1.4465380000e+00 -9.3604000000e-01 -1.1425780000e+00  1.2205240000e+00  5.0834800000e-01 -1.5357130000e+00 -8.6953900000e-01  3.8911300000e-01  1.6282380000e+00 -1.5413430000e+00 -2.9039700000e-01  1.6846050000e+00 -5.5047600000e-01  3.3699300000e-01  7.2728600000e-01
-ENERGY -1.526576612468e+02
-FORCES  6.5208000000e-03  3.3680000000e-04 -7.2650000000e-04 -3.3604000000e-03  2.8598000000e-03 -1.7592000000e-03 -2.7219000000e-03 -4.0681000000e-03  7.2910000000e-04 -1.7990000000e-03 -3.4231000000e-03 -4.9067000000e-03  2.5495000000e-03  2.5473000000e-03  3.0480000000e-04 -1.1889000000e-03  1.7472000000e-03  6.3586000000e-03
-
-JOB 51
-COORDS  5.7849400000e-01  5.9355000000e-01 -1.6269260000e+00  1.9674300000e-01  1.2192460000e+00 -2.2425580000e+00  2.2506200000e-01 -2.5425000000e-01 -1.8962850000e+00 -5.9212200000e-01 -5.5150600000e-01  1.6820700000e+00  1.7752400000e-01 -3.0068800000e-01  2.1929190000e+00 -2.9713300000e-01 -1.2913880000e+00  1.1512330000e+00
-ENERGY -1.526534420224e+02
-FORCES -4.2403000000e-03 -1.5290000000e-04 -3.1274000000e-03  1.8354000000e-03 -2.5781000000e-03  2.2689000000e-03  1.9863000000e-03  2.7190000000e-03  1.3942000000e-03  5.5696000000e-03 -4.9400000000e-04 -1.3424000000e-03 -3.3652000000e-03 -1.4683000000e-03 -1.1691000000e-03 -1.7857000000e-03  1.9742000000e-03  1.9759000000e-03
-
-JOB 52
-COORDS -7.1322400000e-01 -1.5762700000e+00  6.3057300000e-01 -1.0685520000e+00 -2.4148150000e+00  9.2522000000e-01 -1.3839430000e+00 -9.3530700000e-01  8.6623100000e-01  8.1138100000e-01  1.5827700000e+00 -7.0424200000e-01  4.7541900000e-01  2.3217210000e+00 -1.9698200000e-01  3.6119800000e-01  8.1920800000e-01 -3.4293800000e-01
-ENERGY -1.526555632386e+02
-FORCES -4.6459000000e-03 -3.7474000000e-03  2.6272000000e-03  1.0708000000e-03  3.7171000000e-03 -9.8700000000e-04  4.1976000000e-03 -1.3203000000e-03 -1.6923000000e-03 -2.3048000000e-03 -1.6880000000e-03  3.4494000000e-03  9.0740000000e-04 -3.0760000000e-03 -1.9111000000e-03  7.7500000000e-04  6.1147000000e-03 -1.4861000000e-03
-
-JOB 53
-COORDS -9.4282000000e-01 -7.4082600000e-01 -1.5664710000e+00 -1.0780100000e+00 -7.3809300000e-01 -6.1887000000e-01 -1.1468700000e-01 -1.2048460000e+00 -1.6894060000e+00  9.5719400000e-01  7.8282900000e-01  1.5429470000e+00  9.6605000000e-02  5.9283600000e-01  1.9164730000e+00  8.2231000000e-01  7.4156400000e-01  5.9619700000e-01
-ENERGY -1.526541440327e+02
-FORCES  1.8287000000e-03 -4.0288000000e-03  2.2280000000e-03  1.4386000000e-03  1.6498000000e-03 -3.6388000000e-03 -3.5679000000e-03  2.9364000000e-03  8.3740000000e-04 -3.7123000000e-03  9.0980000000e-04 -2.1570000000e-03  3.4995000000e-03 -1.1830000000e-04 -2.2747000000e-03  5.1340000000e-04 -1.3488000000e-03  5.0050000000e-03
-
-JOB 54
-COORDS -2.9552700000e-01 -1.8186930000e+00 -6.1650600000e-01 -9.1430400000e-01 -1.1830010000e+00 -2.5700400000e-01 -3.8109200000e-01 -1.7267030000e+00 -1.5654260000e+00  2.9413600000e-01  1.8041320000e+00  6.0786300000e-01  1.3374500000e-01  1.6643400000e+00  1.5411180000e+00  1.1839890000e+00  1.4811100000e+00  4.6626400000e-01
-ENERGY -1.526562840600e+02
-FORCES -3.2678000000e-03  4.1687000000e-03 -2.5274000000e-03  2.0710000000e-03 -4.2536000000e-03 -1.1795000000e-03  5.1370000000e-04 -7.4960000000e-04  3.6182000000e-03  4.3078000000e-03 -1.6610000000e-03  3.3760000000e-03  1.4860000000e-04  3.5310000000e-04 -4.0175000000e-03 -3.7734000000e-03  2.1425000000e-03  7.3020000000e-04
-
-JOB 55
-COORDS -1.5306680000e+00 -6.3403800000e-01 -1.0955680000e+00 -1.0244840000e+00 -1.3894390000e+00 -7.9660600000e-01 -1.8591290000e+00 -2.3180600000e-01 -2.9148200000e-01  1.5121050000e+00  6.7657200000e-01  1.0988710000e+00  1.5854060000e+00 -2.3942300000e-01  8.3089200000e-01  1.5893360000e+00  1.1720630000e+00  2.8354600000e-01
-ENERGY -1.526550742274e+02
-FORCES -1.6110000000e-04 -1.1947000000e-03  5.2633000000e-03 -1.1599000000e-03  3.1216000000e-03 -1.4328000000e-03  9.6790000000e-04 -2.0278000000e-03 -3.9430000000e-03  1.1122000000e-03 -1.1231000000e-03 -5.3517000000e-03 -9.0910000000e-04  3.1294000000e-03  1.4963000000e-03  1.5000000000e-04 -1.9053000000e-03  3.9680000000e-03
-
-JOB 56
-COORDS  1.7780860000e+00  1.4005300000e-01 -9.3767300000e-01  9.7314000000e-01  2.7961200000e-01 -4.3885800000e-01  2.0300940000e+00 -7.6179800000e-01 -7.3920500000e-01 -1.8021000000e+00 -7.8591000000e-02  8.6279200000e-01 -1.0718470000e+00  4.7772900000e-01  1.1338480000e+00 -1.5916520000e+00 -9.4155300000e-01  1.2195000000e+00
-ENERGY -1.526535365337e+02
-FORCES -2.9727000000e-03 -3.6015000000e-03  1.5825000000e-03  4.2935000000e-03  2.2000000000e-04 -1.6630000000e-04 -9.4950000000e-04  3.8286000000e-03 -4.5650000000e-04  1.6011000000e-03 -1.2062000000e-03  4.2420000000e-03 -1.6738000000e-03 -3.2434000000e-03 -3.1529000000e-03 -2.9860000000e-04  4.0025000000e-03 -2.0487000000e-03
-
-JOB 57
-COORDS -8.2890800000e-01  7.9522200000e-01  1.5774200000e+00 -5.3456600000e-01  1.7056530000e+00  1.6040720000e+00 -1.7070960000e+00  8.3790100000e-01  1.1990080000e+00  8.5354400000e-01 -8.3204100000e-01 -1.6251470000e+00  1.3933140000e+00 -3.6440900000e-01 -9.8780800000e-01  4.6517000000e-01 -1.5521400000e+00 -1.1283020000e+00
-ENERGY -1.526557810022e+02
-FORCES -3.2005000000e-03  4.3819000000e-03 -1.6899000000e-03 -9.0230000000e-04 -3.8653000000e-03 -8.7700000000e-05  3.5405000000e-03 -2.3290000000e-04  2.0253000000e-03  3.5700000000e-05 -6.1170000000e-04  6.2826000000e-03 -1.0250000000e-03 -1.7715000000e-03 -3.6235000000e-03  1.5516000000e-03  2.0995000000e-03 -2.9069000000e-03
-
-JOB 58
-COORDS  3.0517800000e-01 -4.2886900000e-01  1.8598260000e+00  1.1457620000e+00 -6.8192200000e-01  1.4782300000e+00  2.2357500000e-01 -9.7314200000e-01  2.6429860000e+00 -2.9940600000e-01  5.0499300000e-01 -1.9082690000e+00 -5.0283000000e-01  2.2351200000e-01 -1.0162940000e+00 -1.0839350000e+00  2.8973000000e-01 -2.4126560000e+00
-ENERGY -1.526569274682e+02
-FORCES  3.7753000000e-03 -3.3363000000e-03  3.3645000000e-03 -4.3025000000e-03  9.2340000000e-04  1.3777000000e-03  6.3190000000e-04  2.2355000000e-03 -3.2250000000e-03 -4.4177000000e-03 -1.7082000000e-03  2.6607000000e-03  1.2843000000e-03  1.0779000000e-03 -5.9675000000e-03  3.0288000000e-03  8.0770000000e-04  1.7896000000e-03
-
-JOB 59
-COORDS  1.7462000000e+00 -3.6649000000e-01 -7.7905400000e-01  1.8930420000e+00 -8.5318800000e-01 -1.5900990000e+00  2.5081420000e+00  2.0780600000e-01 -7.0249600000e-01 -1.7398580000e+00  3.7698200000e-01  7.8143400000e-01 -2.2821850000e+00  1.0001900000e+00  1.2648860000e+00 -2.1355870000e+00 -4.7575900000e-01  9.6160800000e-01
-ENERGY -1.526524745748e+02
-FORCES  3.2132000000e-03  1.0796000000e-03 -2.9348000000e-03 -6.7250000000e-04  1.7509000000e-03  3.4429000000e-03 -2.9427000000e-03 -2.4772000000e-03 -3.2000000000e-04 -3.2189000000e-03 -1.5755000000e-03  2.6446000000e-03  2.4515000000e-03 -2.3788000000e-03 -2.0860000000e-03  1.1694000000e-03  3.6011000000e-03 -7.4670000000e-04
-
-JOB 60
-COORDS  6.9517500000e-01  1.6099700000e-01  1.9600350000e+00  1.2469000000e+00  8.9043600000e-01  1.6776340000e+00  4.6504000000e-02  6.6660000000e-02  1.2624970000e+00 -7.0765700000e-01 -2.5972700000e-01 -1.9376120000e+00 -1.2681870000e+00  3.5039900000e-01 -1.4582540000e+00  1.4707100000e-01  1.7031800000e-01 -1.9647240000e+00
-ENERGY -1.526537468783e+02
-FORCES -3.5000000000e-04  1.6127000000e-03 -3.8352000000e-03 -2.4875000000e-03 -2.9288000000e-03  7.2200000000e-04  2.6714000000e-03  1.8737000000e-03  3.2981000000e-03  8.1440000000e-04  4.1601000000e-03 -5.1550000000e-04  3.2853000000e-03 -3.0083000000e-03 -7.5700000000e-04 -3.9336000000e-03 -1.7094000000e-03  1.0875000000e-03
-
-JOB 61
-COORDS  1.8227760000e+00  2.5660000000e-02  1.0616100000e+00  1.4816190000e+00 -7.7664500000e-01  1.4567670000e+00  1.0535800000e+00  4.5412200000e-01  6.8612400000e-01 -1.7803700000e+00 -4.3094000000e-02 -1.1171040000e+00 -1.8714180000e+00 -3.0042200000e-01 -1.9964800000e-01 -1.3647450000e+00  8.1854900000e-01 -1.0845670000e+00
-ENERGY -1.526530347014e+02
-FORCES -4.0918000000e-03 -2.3369000000e-03 -5.2800000000e-04  1.1734000000e-03  3.6733000000e-03 -1.3378000000e-03  2.4944000000e-03 -9.8670000000e-04  1.9955000000e-03 -2.8620000000e-04  2.6407000000e-03  2.8228000000e-03  1.6216000000e-03  1.2406000000e-03 -3.7460000000e-03 -9.1130000000e-04 -4.2310000000e-03  7.9340000000e-04
-
-JOB 62
-COORDS  6.7925000000e-02 -6.8776600000e-01  1.9864840000e+00 -2.8229400000e-01  1.7024200000e-01  1.7468990000e+00  7.8886100000e-01 -4.9393900000e-01  2.5855800000e+00 -9.6582000000e-02  6.8315500000e-01 -2.0185780000e+00  5.2565100000e-01  2.7329600000e-01 -1.4176840000e+00 -5.8686100000e-01 -4.8969000000e-02 -2.3925470000e+00
-ENERGY -1.526559318132e+02
-FORCES  7.3900000000e-04  4.4360000000e-03  2.7787000000e-03  2.1837000000e-03 -4.0888000000e-03  8.2130000000e-04 -2.8941000000e-03 -7.8110000000e-04 -2.7644000000e-03  6.8580000000e-04 -5.5582000000e-03  6.5730000000e-04 -2.6149000000e-03  2.7809000000e-03 -2.7089000000e-03  1.9005000000e-03  3.2112000000e-03  1.2160000000e-03
-
-JOB 63
-COORDS  1.0105220000e+00 -1.7970550000e+00  1.8821400000e-01  1.6347290000e+00 -2.4627940000e+00  4.7698700000e-01  3.3008300000e-01 -2.2892350000e+00 -2.7112600000e-01 -1.0153470000e+00  1.7949450000e+00 -1.7768700000e-01 -4.8262400000e-01  2.3023830000e+00  4.3464100000e-01 -1.3878820000e+00  2.4480980000e+00 -7.7000500000e-01
-ENERGY -1.526535830173e+02
-FORCES -1.1647000000e-03 -4.3904000000e-03 -1.1203000000e-03 -2.4378000000e-03  2.9477000000e-03 -1.0865000000e-03  3.2239000000e-03  1.3054000000e-03  1.9277000000e-03  1.6283000000e-03  4.4221000000e-03  4.9700000000e-04 -2.6423000000e-03 -1.4411000000e-03 -2.5319000000e-03  1.3926000000e-03 -2.8438000000e-03  2.3140000000e-03
-
-JOB 64
-COORDS  1.5173670000e+00 -1.0986890000e+00  1.1095280000e+00  8.7801000000e-01 -1.5580470000e+00  5.6506100000e-01  1.9256230000e+00 -1.7878970000e+00  1.6335030000e+00 -1.4881350000e+00  1.2147720000e+00 -1.1446810000e+00 -2.1557720000e+00  1.1403320000e+00 -4.6280700000e-01 -1.1239000000e+00  3.3289400000e-01 -1.2212130000e+00
-ENERGY -1.526530693635e+02
-FORCES -2.1020000000e-04 -4.9109000000e-03  2.7110000000e-04  1.8550000000e-03  2.3923000000e-03  1.7595000000e-03 -1.7841000000e-03  2.9765000000e-03 -2.2021000000e-03 -6.6780000000e-04 -3.4131000000e-03  3.0347000000e-03  2.5159000000e-03  1.1520000000e-04 -3.0727000000e-03 -1.7089000000e-03  2.8401000000e-03  2.0960000000e-04
-
-JOB 65
-COORDS -1.3239520000e+00  8.1838100000e-01  1.5820260000e+00 -1.5124490000e+00  7.2867400000e-01  2.5161850000e+00 -3.6874800000e-01  8.5518400000e-01  1.5323970000e+00  1.3196860000e+00 -7.7972600000e-01 -1.6046370000e+00  7.6921300000e-01 -1.4219960000e+00 -1.1566400000e+00  1.0591330000e+00 -8.3983800000e-01 -2.5237290000e+00
-ENERGY -1.526552272333e+02
-FORCES  3.5017000000e-03  5.0130000000e-04  3.3888000000e-03  7.5280000000e-04  2.2460000000e-04 -3.8309000000e-03 -4.4717000000e-03 -5.4070000000e-04  8.9970000000e-04 -3.9133000000e-03 -2.8214000000e-03 -2.4361000000e-03  2.8518000000e-03  2.5948000000e-03 -1.6530000000e-03  1.2787000000e-03  4.1400000000e-05  3.6314000000e-03
-
-JOB 66
-COORDS -1.8541210000e+00 -3.8788800000e-01  1.1097720000e+00 -2.1930820000e+00  9.5614000000e-02  1.8631400000e+00 -2.6346280000e+00 -7.2526400000e-01  6.7020600000e-01  1.8770190000e+00  3.5143000000e-01 -1.1532240000e+00  2.0570420000e+00  1.2893680000e+00 -1.0892230000e+00  2.6318600000e+00 -6.6639000000e-02 -7.3889900000e-01
-ENERGY -1.526530617236e+02
-FORCES -4.4365000000e-03  5.4100000000e-04  6.7620000000e-04  1.5571000000e-03 -1.9086000000e-03 -3.0142000000e-03  3.0649000000e-03  1.3555000000e-03  2.0266000000e-03  3.1012000000e-03  1.9627000000e-03  2.7415000000e-03 -4.9910000000e-04 -3.6840000000e-03 -5.0430000000e-04 -2.7876000000e-03  1.7334000000e-03 -1.9257000000e-03
-
-JOB 67
-COORDS  2.1554740000e+00 -8.8465800000e-01  1.2365400000e-01  2.2359150000e+00 -1.0194250000e+00  1.0678990000e+00  1.5689950000e+00 -1.3308000000e-01  3.7605000000e-02 -2.1893980000e+00  8.3812700000e-01 -1.5173900000e-01 -1.3888560000e+00  8.8722600000e-01  3.7070900000e-01 -1.9034670000e+00  1.0209890000e+00 -1.0467460000e+00
-ENERGY -1.526528388477e+02
-FORCES -1.5462000000e-03  1.9579000000e-03  3.7050000000e-03 -4.8910000000e-04  8.2410000000e-04 -4.0961000000e-03  1.6060000000e-03 -2.6606000000e-03  3.9080000000e-04  3.6966000000e-03  8.2980000000e-04 -1.8580000000e-03 -2.3963000000e-03 -2.8500000000e-04 -2.2585000000e-03 -8.7100000000e-04 -6.6620000000e-04  4.1168000000e-03
-
-JOB 68
-COORDS  1.7752360000e+00 -1.4023020000e+00  6.3569100000e-01  1.6439630000e+00 -1.1899680000e+00  1.5597650000e+00  1.7194430000e+00 -5.5942300000e-01  1.8549800000e-01 -1.7475400000e+00  1.2919070000e+00 -6.5047900000e-01 -1.5130130000e+00  1.8374740000e+00 -1.4012020000e+00 -2.3331300000e+00  1.8405860000e+00 -1.2868700000e-01
-ENERGY -1.526545548569e+02
-FORCES -2.0858000000e-03  4.6792000000e-03  1.6232000000e-03  9.7460000000e-04 -1.0255000000e-03 -3.3852000000e-03  1.4551000000e-03 -3.5120000000e-03  1.8015000000e-03 -2.3488000000e-03  4.3633000000e-03 -1.2585000000e-03 -6.0030000000e-04 -2.2683000000e-03  3.3268000000e-03  2.6052000000e-03 -2.2368000000e-03 -2.1078000000e-03
-
-JOB 69
-COORDS -1.4006060000e+00  1.5482910000e+00 -1.1407960000e+00 -1.2567200000e+00  6.1660800000e-01 -1.3066120000e+00 -2.0866860000e+00  1.5701650000e+00 -4.7367700000e-01  1.4260020000e+00 -1.4649100000e+00  1.0606750000e+00  2.1774790000e+00 -1.9042760000e+00  1.4587600000e+00  6.8540700000e-01 -1.7037120000e+00  1.6181010000e+00
-ENERGY -1.526540928476e+02
-FORCES -1.2618000000e-03 -4.0351000000e-03  2.1636000000e-03 -1.5192000000e-03  3.9882000000e-03  4.4080000000e-04  2.5732000000e-03 -9.4900000000e-05 -2.6132000000e-03  7.3840000000e-04 -2.5812000000e-03  4.2231000000e-03 -3.1928000000e-03  1.7353000000e-03 -1.5838000000e-03  2.6622000000e-03  9.8770000000e-04 -2.6304000000e-03
-
-JOB 70
-COORDS  1.5250280000e+00  1.5533110000e+00 -8.4884500000e-01  1.0396340000e+00  2.3556000000e+00 -6.5660300000e-01  1.8669360000e+00  1.6857120000e+00 -1.7330400000e+00 -1.5808690000e+00 -1.5759380000e+00  8.8548500000e-01 -9.1007100000e-01 -1.5937710000e+00  2.0288400000e-01 -1.1881910000e+00 -2.0473240000e+00  1.6202170000e+00
-ENERGY -1.526551264594e+02
-FORCES -7.1540000000e-04  4.4219000000e-03 -2.6236000000e-03  2.2844000000e-03 -3.2227000000e-03 -9.9590000000e-04 -1.4369000000e-03 -7.1790000000e-04  3.6199000000e-03  5.0462000000e-03 -1.3875000000e-03  2.6000000000e-06 -3.4034000000e-03 -7.8030000000e-04  2.7990000000e-03 -1.7748000000e-03  1.6866000000e-03 -2.8019000000e-03
-
-JOB 71
-COORDS  9.7991000000e-02  2.0581780000e+00 -1.1197650000e+00  1.0260350000e+00  1.8959390000e+00 -9.5052100000e-01  7.4224000000e-02  2.9325270000e+00 -1.5085850000e+00 -1.9789400000e-01 -2.1399550000e+00  1.0889650000e+00  6.9349700000e-01 -1.8048560000e+00  9.9220300000e-01 -4.3387600000e-01 -1.9364030000e+00  1.9940130000e+00
-ENERGY -1.526533578508e+02
-FORCES  3.4798000000e-03  2.8918000000e-03 -1.2450000000e-03 -3.6776000000e-03  4.7490000000e-04 -3.6130000000e-04  8.5500000000e-05 -3.6215000000e-03  1.6668000000e-03  2.2249000000e-03  2.8801000000e-03  3.0059000000e-03 -3.2110000000e-03 -1.5292000000e-03  4.7090000000e-04  1.0985000000e-03 -1.0962000000e-03 -3.5373000000e-03
-
-JOB 72
-COORDS -2.1215960000e+00 -1.1264200000e+00  1.7967400000e-01 -3.0144760000e+00 -8.0257200000e-01  6.0848000000e-02 -1.5818430000e+00 -3.3649500000e-01  2.0994400000e-01  2.1010560000e+00  1.0418900000e+00 -2.1950100000e-01  2.9688150000e+00  7.1128300000e-01  1.2716000000e-02  1.9793250000e+00  1.8095830000e+00  3.3912300000e-01
-ENERGY -1.526547429658e+02
-FORCES -5.8890000000e-04  4.6180000000e-03 -8.0200000000e-04  3.5110000000e-03 -1.2757000000e-03  5.5990000000e-04 -3.3536000000e-03 -3.1722000000e-03  4.1440000000e-04  4.0053000000e-03  1.4447000000e-03  3.0647000000e-03 -3.5243000000e-03  1.6633000000e-03 -9.3690000000e-04 -4.9600000000e-05 -3.2782000000e-03 -2.3002000000e-03
-
-JOB 73
-COORDS  6.4260000000e-02 -1.8636470000e+00  1.4590610000e+00  4.4337400000e-01 -1.5524760000e+00  2.2810570000e+00  5.9991600000e-01 -2.6196560000e+00  1.2187410000e+00 -1.4785800000e-01  1.8266370000e+00 -1.4769660000e+00  7.8389100000e-01  1.8396850000e+00 -1.6958390000e+00 -4.0382300000e-01  2.7488580000e+00 -1.4621010000e+00
-ENERGY -1.526530678416e+02
-FORCES  3.5608000000e-03 -1.4551000000e-03  2.1452000000e-03 -1.4871000000e-03 -1.3825000000e-03 -3.2652000000e-03 -2.1318000000e-03  3.0825000000e-03  9.7690000000e-04  2.7662000000e-03  3.4019000000e-03 -5.6980000000e-04 -3.7306000000e-03  1.2230000000e-04  7.3950000000e-04  1.0225000000e-03 -3.7691000000e-03 -2.6600000000e-05
-
-JOB 74
-COORDS -2.5210830000e+00 -2.8963500000e-01 -4.2876000000e-02 -2.2905470000e+00 -1.0341330000e+00  5.1282800000e-01 -1.6801730000e+00  9.6660000000e-02 -2.8757500000e-01  2.3879050000e+00  3.0647100000e-01  3.8476000000e-02  2.8020940000e+00  3.9906100000e-01 -8.1949100000e-01  3.1161710000e+00  3.2190600000e-01  6.5946100000e-01
-ENERGY -1.526555370730e+02
-FORCES  5.1770000000e-03 -1.2797000000e-03  1.4458000000e-03 -1.3913000000e-03  2.7290000000e-03 -2.1375000000e-03 -4.3009000000e-03 -1.5249000000e-03  5.8110000000e-04  5.2937000000e-03  5.9690000000e-04 -7.9670000000e-04 -1.8429000000e-03 -4.0490000000e-04  3.5660000000e-03 -2.9355000000e-03 -1.1650000000e-04 -2.6588000000e-03
-
-JOB 75
-COORDS -1.5628290000e+00 -1.6062790000e+00 -1.0778860000e+00 -2.4313070000e+00 -1.2038400000e+00 -1.0824140000e+00 -1.7034990000e+00 -2.4764600000e+00 -7.0475400000e-01  1.6719250000e+00  1.5962050000e+00  1.0568460000e+00  1.2585420000e+00  2.0071770000e+00  1.8160880000e+00  1.0841620000e+00  1.7933810000e+00  3.2753900000e-01
-ENERGY -1.526541477526e+02
-FORCES -3.8953000000e-03 -2.4854000000e-03  1.6329000000e-03  3.6674000000e-03 -1.3308000000e-03  7.4900000000e-05  3.3830000000e-04  3.5916000000e-03 -1.6397000000e-03 -4.4212000000e-03  1.8164000000e-03 -3.6060000000e-04  1.7010000000e-03 -1.5563000000e-03 -2.9308000000e-03  2.6098000000e-03 -3.5500000000e-05  3.2233000000e-03
-
-JOB 76
-COORDS -2.1586270000e+00 -5.3133600000e-01  1.2872980000e+00 -1.6203220000e+00 -4.4670100000e-01  2.0742510000e+00 -2.1939540000e+00  3.5369000000e-01  9.2437500000e-01  2.1243870000e+00  4.1476800000e-01 -1.3600330000e+00  1.5402970000e+00  5.1970300000e-01 -6.0899400000e-01  2.7098580000e+00  1.1707670000e+00 -1.3161980000e+00
-ENERGY -1.526536440379e+02
-FORCES  1.1674000000e-03  3.6518000000e-03  1.9424000000e-03 -1.8783000000e-03 -1.4200000000e-04 -3.5780000000e-03  7.4340000000e-04 -3.6584000000e-03  1.5346000000e-03 -1.0100000000e-05  3.1280000000e-03  3.1363000000e-03  2.4998000000e-03  1.0380000000e-04 -2.9321000000e-03 -2.5222000000e-03 -3.0832000000e-03 -1.0310000000e-04
-
-JOB 77
-COORDS  2.3487000000e-01  2.8436000000e-01  2.5840780000e+00  1.0296600000e+00 -2.3487200000e-01  2.7063020000e+00  3.0436400000e-01  6.2304300000e-01  1.6915000000e+00 -2.6867400000e-01 -2.6554500000e-01 -2.4758420000e+00 -2.5820000000e-02  2.5137000000e-01 -3.2439910000e+00 -8.2667600000e-01 -9.6204100000e-01 -2.8219030000e+00
-ENERGY -1.526551640503e+02
-FORCES  3.3091000000e-03 -8.7810000000e-04 -3.9243000000e-03 -3.0738000000e-03  2.0563000000e-03 -1.7680000000e-04 -6.4500000000e-05 -1.0183000000e-03  4.4639000000e-03 -1.6505000000e-03 -9.5590000000e-04 -4.8497000000e-03 -9.3120000000e-04 -2.1127000000e-03  3.2204000000e-03  2.4108000000e-03  2.9088000000e-03  1.2666000000e-03
-
-JOB 78
-COORDS  5.8947800000e-01  2.0990240000e+00  1.5599890000e+00  9.3540400000e-01  1.6778130000e+00  7.7312900000e-01 -3.5084700000e-01  2.1748860000e+00  1.3979250000e+00 -6.1771700000e-01 -2.0741910000e+00 -1.5356150000e+00 -4.1932400000e-01 -2.4230270000e+00 -6.6660100000e-01  2.3287500000e-01 -1.8154850000e+00 -1.8902940000e+00
-ENERGY -1.526543903503e+02
-FORCES -2.8011000000e-03 -1.1499000000e-03 -4.0420000000e-03 -1.0454000000e-03  1.4655000000e-03  3.2973000000e-03  3.9874000000e-03 -2.4930000000e-04  8.5540000000e-04  4.2174000000e-03 -1.2919000000e-03  1.8792000000e-03 -8.0430000000e-04  1.7964000000e-03 -3.6751000000e-03 -3.5540000000e-03 -5.7080000000e-04  1.6852000000e-03
-
-JOB 79
-COORDS  2.5402170000e+00 -4.0361700000e-01  6.7999600000e-01  3.2388070000e+00 -9.8308200000e-01  3.7598400000e-01  2.3147460000e+00  1.2323100000e-01 -8.6702000000e-02 -2.6108120000e+00  3.6712700000e-01 -5.8695000000e-01 -1.6879710000e+00  5.4841000000e-01 -4.0881700000e-01 -2.8224860000e+00  9.1802600000e-01 -1.3405650000e+00
-ENERGY -1.526538262078e+02
-FORCES  2.5090000000e-03 -6.3930000000e-04 -4.2334000000e-03 -2.8699000000e-03  2.5217000000e-03  1.2317000000e-03  2.4960000000e-04 -1.9765000000e-03  3.1568000000e-03  2.8710000000e-03  2.8680000000e-03 -1.8843000000e-03 -3.7566000000e-03 -4.9470000000e-04 -1.2889000000e-03  9.9690000000e-04 -2.2792000000e-03  3.0181000000e-03
-
-JOB 80
-COORDS  2.1997230000e+00 -9.1567500000e-01  1.4088290000e+00  2.6074120000e+00 -2.2653900000e-01  8.8431500000e-01  1.7388390000e+00 -1.4613570000e+00  7.7160900000e-01 -2.1296780000e+00  8.8692000000e-01 -1.3389430000e+00 -2.9188210000e+00  3.7410000000e-01 -1.1643020000e+00 -2.4516180000e+00  1.7719160000e+00 -1.5103180000e+00
-ENERGY -1.526545977308e+02
-FORCES -8.4870000000e-04  9.5930000000e-04 -5.0911000000e-03 -1.2076000000e-03 -2.8254000000e-03  2.2799000000e-03  2.2074000000e-03  1.7718000000e-03  2.7825000000e-03 -4.7361000000e-03  1.6920000000e-03  2.5540000000e-04  3.2640000000e-03  2.0355000000e-03 -8.3530000000e-04  1.3211000000e-03 -3.6332000000e-03  6.0860000000e-04
-
-JOB 81
-COORDS -3.4259700000e+00 -1.3079240000e+00 -2.2587000000e-02 -3.6521440000e+00 -9.1966700000e-01 -8.6776900000e-01 -3.5495770000e+00 -2.2485450000e+00 -1.4981400000e-01  3.4415630000e+00  1.4053730000e+00  1.0737700000e-01  3.9347750000e+00  1.0647470000e+00 -6.3891200000e-01  3.0173260000e+00  6.3547900000e-01  4.8621600000e-01
-ENERGY -1.526541335939e+02
-FORCES -1.6036000000e-03 -2.1328000000e-03 -3.9692000000e-03  9.6290000000e-04 -1.6656000000e-03  3.4455000000e-03  6.0600000000e-04  3.8245000000e-03  5.2310000000e-04  8.0200000000e-05 -4.5561000000e-03 -1.3918000000e-03 -1.9715000000e-03  1.3991000000e-03  2.9919000000e-03  1.9260000000e-03  3.1309000000e-03 -1.5994000000e-03
-
-JOB 82
-COORDS -3.9686500000e-01 -6.6128800000e-01 -3.8131790000e+00 -9.9556500000e-01 -1.1048410000e+00 -4.4140550000e+00  1.6149100000e-01 -1.3597290000e+00 -3.4716380000e+00  3.6588000000e-01  6.9664600000e-01  3.7734130000e+00  2.2936200000e-01  1.6039060000e+00  4.0463130000e+00  1.0172890000e+00  3.5690700000e-01  4.3869880000e+00
-ENERGY -1.526539848403e+02
-FORCES -1.8560000000e-04 -4.6682000000e-03 -7.9350000000e-04  2.4394000000e-03  1.8224000000e-03  2.3817000000e-03 -2.2398000000e-03  2.8120000000e-03 -1.5649000000e-03  2.0645000000e-03  2.4356000000e-03  3.5115000000e-03  5.7090000000e-04 -3.7325000000e-03 -1.0309000000e-03 -2.6495000000e-03  1.3308000000e-03 -2.5038000000e-03
-
-JOB 83
-COORDS -7.0003000000e-02 -1.3677060000e+00  3.7180990000e+00  8.8107000000e-02 -2.1188400000e+00  3.1462330000e+00  6.8820200000e-01 -1.3468150000e+00  4.3019830000e+00  1.2491000000e-02  1.4429990000e+00 -3.7737110000e+00 -1.2621100000e-01  1.7117610000e+00 -2.8655480000e+00  2.4726700000e-01  5.1679100000e-01 -3.7166970000e+00
-ENERGY -1.526541619089e+02
-FORCES  3.7106000000e-03 -3.0694000000e-03  3.0590000000e-04 -6.3470000000e-04  3.1577000000e-03  2.1859000000e-03 -3.0936000000e-03 -7.4200000000e-05 -2.4630000000e-03  3.0250000000e-04 -2.6203000000e-03  4.0279000000e-03  6.2370000000e-04 -1.1171000000e-03 -3.7898000000e-03 -9.0840000000e-04  3.7233000000e-03 -2.6690000000e-04
-
-JOB 84
-COORDS  6.2877800000e-01 -4.4248430000e+00  2.4727000000e-01  4.5347500000e-01 -4.5341370000e+00 -6.8737200000e-01  8.3807900000e-01 -3.4959510000e+00  3.4517100000e-01 -5.9139800000e-01  4.4021790000e+00 -2.4550300000e-01 -4.7868500000e-01  4.4625650000e+00  7.0311700000e-01 -1.3871040000e+00  3.8825970000e+00 -3.6004200000e-01
-ENERGY -1.526541193496e+02
-FORCES  2.3980000000e-04  3.3144000000e-03 -3.4721000000e-03  6.7200000000e-04  4.4980000000e-04  3.8347000000e-03 -9.2840000000e-04 -3.7772000000e-03 -3.4890000000e-04 -2.8567000000e-03 -1.6988000000e-03  3.4454000000e-03 -4.3600000000e-04 -3.1700000000e-04 -3.9011000000e-03  3.3092000000e-03  2.0290000000e-03  4.4190000000e-04
-
-JOB 85
-COORDS -1.6156970000e+00 -3.2278380000e+00  3.0080430000e+00 -1.7872710000e+00 -2.4510550000e+00  2.4756870000e+00 -1.8156060000e+00 -3.9639960000e+00  2.4298220000e+00  1.6263520000e+00  3.2320000000e+00 -3.0061440000e+00  2.1786820000e+00  2.5439300000e+00 -2.6350330000e+00  1.3121770000e+00  3.7231160000e+00 -2.2469790000e+00
-ENERGY -1.526540930291e+02
-FORCES -1.6073000000e-03  9.0400000000e-05 -4.5230000000e-03  7.7350000000e-04 -3.1178000000e-03  2.1767000000e-03  8.4590000000e-04  3.0277000000e-03  2.3612000000e-03  1.0813000000e-03 -7.1100000000e-04  4.5956000000e-03 -2.3241000000e-03  2.7674000000e-03 -1.5130000000e-03  1.2307000000e-03 -2.0567000000e-03 -3.0975000000e-03
-
-JOB 86
-COORDS  3.3670000000e-03  4.7457590000e+00  9.1760300000e-01 -3.6613500000e-01  3.9202410000e+00  6.0420100000e-01  9.4844700000e-01  4.6436880000e+00  8.0518700000e-01 -5.9778000000e-02 -4.7580010000e+00 -8.9660300000e-01  2.5139400000e-01 -4.1938380000e+00 -1.6045040000e+00 -4.8560000000e-03 -4.2116640000e+00 -1.1255500000e-01
-ENERGY -1.526539072407e+02
-FORCES  2.3343000000e-03 -3.6772000000e-03 -1.7312000000e-03  1.5450000000e-03  3.3002000000e-03  1.2791000000e-03 -3.8784000000e-03  3.5010000000e-04  4.5090000000e-04  1.4852000000e-03  4.4248000000e-03  3.0960000000e-04 -1.2720000000e-03 -2.2390000000e-03  2.9247000000e-03 -2.1420000000e-04 -2.1588000000e-03 -3.2331000000e-03
-
-JOB 87
-COORDS -1.6257070000e+00  2.3179200000e+00 -4.5926550000e+00 -1.9276610000e+00  1.8292800000e+00 -3.8269620000e+00 -1.4408120000e+00  1.6458280000e+00 -5.2486570000e+00  1.5987520000e+00 -2.3061700000e+00  4.5845580000e+00  1.3016600000e+00 -1.4301340000e+00  4.8305850000e+00  2.5251150000e+00 -2.1942840000e+00  4.3711000000e+00
-ENERGY -1.526541383269e+02
-FORCES -5.0730000000e-04 -4.7664000000e-03  4.3250000000e-04  1.2482000000e-03  2.0210000000e-03 -3.1123000000e-03 -7.4140000000e-04  2.7541000000e-03  2.6722000000e-03  2.6024000000e-03  4.0363000000e-03  1.9570000000e-04  1.1917000000e-03 -3.5817000000e-03 -1.0343000000e-03 -3.7936000000e-03 -4.6340000000e-04  8.4620000000e-04
-
-JOB 88
-COORDS  4.1487110000e+00 -4.4831060000e+00 -3.0161900000e-01  4.7894930000e+00 -3.9530750000e+00 -7.7564100000e-01  3.8729690000e+00 -5.1477100000e+00 -9.3288800000e-01 -4.1083120000e+00  4.5133470000e+00  3.5184900000e-01 -4.4158560000e+00  3.6502720000e+00  6.2888800000e-01 -4.9078830000e+00  5.0251780000e+00  2.2959200000e-01
-ENERGY -1.526540779030e+02
-FORCES  1.4939000000e-03 -5.0680000000e-04 -4.5140000000e-03 -2.6079000000e-03 -2.1867000000e-03  1.9322000000e-03  1.1174000000e-03  2.6957000000e-03  2.5797000000e-03 -4.4967000000e-03 -1.4605000000e-03  6.6110000000e-04  1.2343000000e-03  3.5375000000e-03 -1.1464000000e-03  3.2591000000e-03 -2.0792000000e-03  4.8740000000e-04
-
-JOB 89
-COORDS -4.8172950000e+00 -4.0599410000e+00  2.9504400000e-01 -4.3783540000e+00 -4.5115280000e+00 -4.2581000000e-01 -5.7400890000e+00 -4.0431180000e+00  4.1270000000e-02  4.9001800000e+00  4.1109700000e+00 -2.0690800000e-01  4.7200310000e+00  3.1987020000e+00 -4.3394300000e-01  4.1370870000e+00  4.5928410000e+00 -5.2584600000e-01
-ENERGY -1.526540934232e+02
-FORCES -2.0088000000e-03 -1.8147000000e-03 -3.9499000000e-03 -1.7705000000e-03  1.8689000000e-03  2.9314000000e-03  3.7772000000e-03 -5.5000000000e-05  1.0241000000e-03 -3.8786000000e-03 -1.7729000000e-03 -2.1876000000e-03  7.5470000000e-04  3.7264000000e-03  9.0140000000e-04  3.1260000000e-03 -1.9526000000e-03  1.2807000000e-03
-
-JOB 0
-COORDS -7.6200000000e-02 -6.6890900000e-01  1.0201340000e+00  8.3464100000e-01 -4.0317800000e-01  1.1465820000e+00 -2.2107000000e-02 -1.5768040000e+00  7.2175000000e-01  4.4986000000e-02  6.9895000000e-01 -1.0719360000e+00 -1.2195200000e-01  8.3837000000e-02 -3.5779400000e-01 -3.0610900000e-01  1.5322390000e+00 -7.5793700000e-01
-ENERGY -1.526532429773e+02
-FORCES  4.1883000000e-03  9.2915000000e-03 -1.4238700000e-02 -6.6717000000e-03 -7.3620000000e-04 -3.8328000000e-03  1.8120000000e-04  7.7621000000e-03 -1.5338000000e-03 -6.0611000000e-03 -1.4884900000e-02  2.5193300000e-02  6.7086000000e-03  1.0116000000e-03 -6.3180000000e-03  1.6547000000e-03 -2.4442000000e-03  7.2990000000e-04
-
-JOB 1
-COORDS -5.4358900000e-01  9.8094100000e-01  5.5551000000e-01 -1.6441100000e-01  1.6333450000e+00 -3.3407000000e-02  2.0830000000e-01  6.0526300000e-01  1.0135070000e+00  5.4195700000e-01 -9.9650600000e-01 -5.5938000000e-01  4.4117000000e-02 -1.8125520000e+00 -5.0981800000e-01 -1.0912400000e-01 -3.0922400000e-01 -4.1807300000e-01
-ENERGY -1.526543388448e+02
-FORCES  1.1833100000e-02 -1.0504700000e-02 -3.8186000000e-03 -1.9092000000e-03 -7.3275000000e-03  8.8960000000e-04 -5.6995000000e-03 -2.5280000000e-04 -6.3699000000e-03 -1.4299200000e-02  1.6556300000e-02  7.4809000000e-03 -9.4900000000e-05  4.2409000000e-03  1.3130000000e-03  1.0169700000e-02 -2.7122000000e-03  5.0500000000e-04
-
-JOB 2
-COORDS  6.0304900000e-01 -6.9802800000e-01  8.9284500000e-01 -2.1514400000e-01 -1.0502950000e+00  1.2431310000e+00  7.3370200000e-01  1.2276900000e-01  1.3676650000e+00 -5.3828200000e-01  7.1635700000e-01 -9.7971400000e-01 -2.6826600000e-01  4.1249300000e-01 -1.1311700000e-01 -1.3522330000e+00  2.4471800000e-01 -1.1565560000e+00
-ENERGY -1.526485600239e+02
-FORCES -4.2409000000e-03  3.8170000000e-03 -4.4163000000e-03  2.7819000000e-03  5.1960000000e-03 -5.6136000000e-03 -5.6985000000e-03 -2.5708000000e-03 -9.2319000000e-03  8.3181000000e-03 -1.4725200000e-02  1.2417900000e-02 -3.8988000000e-03  7.6890000000e-03  4.7712000000e-03  2.7383000000e-03  5.9400000000e-04  2.0727000000e-03
-
-JOB 3
-COORDS -1.1146220000e+00 -3.5767200000e-01 -3.6834500000e-01 -1.2116140000e+00 -1.0540010000e+00 -1.0179220000e+00 -2.0087300000e+00 -6.0193000000e-02 -2.0009100000e-01  1.2098180000e+00  3.4206200000e-01  3.5706200000e-01  2.5982800000e-01  4.5401000000e-01  3.2217300000e-01  1.4913580000e+00  9.0417600000e-01  1.0788630000e+00
-ENERGY -1.526554683752e+02
-FORCES  1.2251700000e-02 -6.5840000000e-04  3.5400000000e-05 -2.7974000000e-03  3.3571000000e-03  3.0757000000e-03  5.4316000000e-03 -8.7030000000e-04 -1.8870000000e-04 -1.4759600000e-02 -5.0847000000e-03 -4.8947000000e-03  4.4452000000e-03  4.9090000000e-03  4.1852000000e-03 -4.5715000000e-03 -1.6527000000e-03 -2.2130000000e-03
-
-JOB 4
-COORDS  9.1305600000e-01  4.2718700000e-01  9.3456100000e-01  4.7605000000e-01 -2.4806400000e-01  4.1562600000e-01  4.6336800000e-01  1.2388890000e+00  6.9971400000e-01 -8.4119100000e-01 -3.8470800000e-01 -9.0864500000e-01 -3.6451700000e-01 -1.2146160000e+00 -9.2493400000e-01 -1.6867290000e+00 -6.0127500000e-01 -5.1571100000e-01
-ENERGY -1.526519047944e+02
-FORCES -1.4399600000e-02 -7.4100000000e-05 -1.4042000000e-02  3.6391000000e-03 -9.0287000000e-03  1.7850000000e-04  2.3289000000e-03  2.8810000000e-04  3.2825000000e-03  2.2124000000e-03 -5.0520000000e-04  5.4444000000e-03  8.3410000000e-04  7.7573000000e-03  6.4942000000e-03  5.3851000000e-03  1.5627000000e-03 -1.3577000000e-03
-
-JOB 5
-COORDS -1.9890300000e-01 -7.8487800000e-01 -1.1189830000e+00 -4.6686600000e-01 -1.1393200000e-01 -4.9108200000e-01  5.2902000000e-01 -1.2363570000e+00 -6.9175300000e-01  1.2250300000e-01  7.5409800000e-01  1.0031610000e+00  9.8758000000e-02  4.9611500000e-01  1.9246340000e+00  9.1690300000e-01  1.2819160000e+00  9.2211100000e-01
-ENERGY -1.526571252243e+02
-FORCES  4.0259000000e-03  8.5429000000e-03  1.6535700000e-02 -2.7612000000e-03 -9.4570000000e-04 -5.2963000000e-03 -4.5790000000e-04 -7.2790000000e-04 -2.2922000000e-03  9.7260000000e-04 -4.5396000000e-03 -5.8433000000e-03  1.7739000000e-03  1.0823000000e-03 -4.7325000000e-03 -3.5532000000e-03 -3.4121000000e-03  1.6285000000e-03
-
-JOB 6
-COORDS  7.7358800000e-01 -9.8609700000e-01 -6.0861400000e-01  7.9959500000e-01 -3.3386700000e-01  9.1495000000e-02  4.5208000000e-02 -7.1138600000e-01 -1.1655950000e+00 -7.0290300000e-01  9.1140800000e-01  5.2975500000e-01 -1.1688980000e+00  2.9280500000e-01  1.0922600000e+00 -6.8413700000e-01  1.7257490000e+00  1.0324760000e+00
-ENERGY -1.526573471857e+02
-FORCES -8.9676000000e-03  1.4408600000e-02  3.8007000000e-03  3.4690000000e-03 -5.0926000000e-03  1.6446000000e-03  1.2323000000e-03 -3.7788000000e-03 -4.3870000000e-04 -2.5740000000e-04 -3.9164000000e-03 -1.9300000000e-05  3.6980000000e-03  3.4716000000e-03 -2.9568000000e-03  8.2570000000e-04 -5.0924000000e-03 -2.0305000000e-03
-
-JOB 7
-COORDS -5.4425100000e-01 -1.1009190000e+00  6.1231600000e-01 -1.4912750000e+00 -9.6202700000e-01  6.2163100000e-01 -1.8060400000e-01 -2.5730300000e-01  3.4342100000e-01  5.5191100000e-01  9.7420200000e-01 -5.7746200000e-01  4.4070100000e-01  1.4345070000e+00 -1.4093170000e+00  1.0566650000e+00  1.5792560000e+00 -3.3988000000e-02
-ENERGY -1.526578321900e+02
-FORCES  4.5786000000e-03  1.3596800000e-02 -8.7146000000e-03  2.7401000000e-03  4.3860000000e-04 -8.1280000000e-04 -1.1229000000e-03 -3.8403000000e-03  6.9883000000e-03 -4.4879000000e-03 -6.3498000000e-03  6.3580000000e-04  1.9190000000e-03 -3.1670000000e-04  4.7452000000e-03 -3.6268000000e-03 -3.5286000000e-03 -2.8420000000e-03
-
-JOB 8
-COORDS  4.7351400000e-01  5.8418000000e-02  1.1842440000e+00 -2.0824600000e-01 -2.0106000000e-02  1.8515290000e+00  9.9183700000e-01  8.1493100000e-01  1.4585810000e+00 -4.9281700000e-01 -5.7462000000e-02 -1.2441600000e+00 -8.0077000000e-02 -4.0458100000e-01 -4.5334700000e-01 -2.8088500000e-01 -6.9563700000e-01 -1.9253720000e+00
-ENERGY -1.526583307336e+02
-FORCES -3.3311000000e-03  4.8101000000e-03 -7.4958000000e-03  3.5308000000e-03  5.7150000000e-04 -3.2584000000e-03 -2.7730000000e-03 -3.6275000000e-03  1.1309000000e-03  5.9436000000e-03  4.3540000000e-04  1.2715000000e-02 -4.2856000000e-03 -3.6508000000e-03 -7.5692000000e-03  9.1530000000e-04  1.4613000000e-03  4.4774000000e-03
-
-JOB 9
-COORDS -1.1411390000e+00  4.8640800000e-01  4.0744400000e-01 -1.5008600000e+00  3.9798800000e-01  1.2900620000e+00 -1.5527860000e+00 -2.1931200000e-01 -9.1292000000e-02  1.1908520000e+00 -4.9712600000e-01 -4.4735400000e-01  1.8187060000e+00  1.9697800000e-01 -6.4798200000e-01  5.1245100000e-01 -6.4548000000e-02  7.1182000000e-02
-ENERGY -1.526604387411e+02
-FORCES  1.1585000000e-03 -4.8244000000e-03 -2.5703000000e-03  2.4095000000e-03 -4.7090000000e-04 -4.8736000000e-03  3.0802000000e-03  3.7410000000e-03  4.3469000000e-03 -1.1401300000e-02  8.6912000000e-03  5.6459000000e-03 -2.6452000000e-03 -1.2100000000e-03  1.3201000000e-03  7.3983000000e-03 -5.9269000000e-03 -3.8690000000e-03
-
-JOB 10
-COORDS -1.2375260000e+00  4.9125300000e-01  5.1817100000e-01 -1.6910240000e+00 -3.3713000000e-01  3.6211700000e-01 -6.0020900000e-01  5.5368500000e-01 -1.9327900000e-01  1.1704950000e+00 -4.5446800000e-01 -4.7587300000e-01  1.8107210000e+00 -1.1655910000e+00 -5.0131100000e-01  1.6897700000e+00  3.2970500000e-01 -2.9794500000e-01
-ENERGY -1.526553470482e+02
-FORCES  8.4657000000e-03 -9.2148000000e-03 -5.5296000000e-03 -4.2390000000e-04  2.7610000000e-03  1.2007000000e-03 -1.9753000000e-03  5.8524000000e-03  1.4347000000e-03  4.8950000000e-04  3.4590000000e-04  4.0763000000e-03 -2.4357000000e-03  3.3669000000e-03  8.4330000000e-04 -4.1203000000e-03 -3.1114000000e-03 -2.0254000000e-03
-
-JOB 11
-COORDS -1.1075250000e+00  8.3988900000e-01  3.2595500000e-01 -4.1758100000e-01  1.8521900000e-01  2.1817500000e-01 -1.9132110000e+00  3.2891700000e-01  4.0347800000e-01  1.0537580000e+00 -7.5731800000e-01 -3.1455100000e-01  1.6980880000e+00 -1.1346710000e+00  2.8434400000e-01  1.5453830000e+00 -5.8284100000e-01 -1.1171050000e+00
-ENERGY -1.526613870377e+02
-FORCES  7.9645000000e-03 -8.3328000000e-03 -2.7345000000e-03 -8.2448000000e-03  4.7991000000e-03  3.1525000000e-03  3.1402000000e-03  6.0790000000e-04 -3.1510000000e-04  5.0110000000e-04  3.3462000000e-03 -8.8190000000e-04 -2.5922000000e-03  1.7358000000e-03 -3.6735000000e-03 -7.6880000000e-04 -2.1562000000e-03  4.4525000000e-03
-
-JOB 12
-COORDS -3.3185900000e-01  1.3736910000e+00 -2.1196400000e-01 -3.8796800000e-01  4.1833300000e-01 -1.9262100000e-01 -9.1850600000e-01  1.6627460000e+00  4.8698200000e-01  4.1138200000e-01 -1.3030040000e+00  1.5196200000e-01  6.2120000000e-02 -2.1305650000e+00 -1.7878100000e-01 -1.1399600000e-01 -1.1144690000e+00  9.2956400000e-01
-ENERGY -1.526551642975e+02
-FORCES  1.8651000000e-03 -8.9511000000e-03 -6.9400000000e-05 -5.2157000000e-03  6.5723000000e-03  5.2120000000e-03  2.6115000000e-03 -3.5652000000e-03 -1.6066000000e-03 -6.0890000000e-04 -2.4935000000e-03  2.3710000000e-03  1.4051000000e-03  4.9858000000e-03  2.0418000000e-03 -5.7100000000e-05  3.4517000000e-03 -7.9487000000e-03
-
-JOB 13
-COORDS  6.0703000000e-02 -1.2583510000e+00  6.6282300000e-01 -2.2236100000e-01 -1.2936420000e+00 -2.5088500000e-01  1.0146010000e+00 -1.1940160000e+00  6.1623400000e-01 -1.5131800000e-01  1.2457950000e+00 -5.7398600000e-01 -6.6366000000e-02  1.8265280000e+00 -1.3301370000e+00  7.1839900000e-01  8.6013600000e-01 -4.6867000000e-01
-ENERGY -1.526509531456e+02
-FORCES -1.0255000000e-03  3.8902000000e-03 -5.6794000000e-03  3.3304000000e-03 -1.7751000000e-03  3.5592000000e-03 -3.8906000000e-03  2.9368000000e-03 -1.1149000000e-03  4.2249000000e-03 -8.2940000000e-04  2.0676000000e-03 -6.0980000000e-04 -4.2455000000e-03  3.6119000000e-03 -2.0295000000e-03  2.3100000000e-05 -2.4444000000e-03
-
-JOB 14
-COORDS -5.4040300000e-01 -5.9107300000e-01 -1.1229520000e+00 -1.0903700000e-01 -1.4411400000e+00 -1.2097960000e+00 -1.4712840000e+00 -8.0090400000e-01 -1.0476970000e+00  5.7681600000e-01  7.1184700000e-01  1.1356710000e+00  5.9869600000e-01 -2.6998000000e-02  1.7438330000e+00  3.4162600000e-01  3.2253300000e-01  2.9344000000e-01
-ENERGY -1.526601971174e+02
-FORCES -3.3418000000e-03 -2.1959000000e-03  1.4899000000e-03 -2.1515000000e-03  4.6568000000e-03  2.2673000000e-03  4.9952000000e-03 -3.8130000000e-04 -8.4740000000e-04 -5.2041000000e-03 -7.2077000000e-03 -8.5463000000e-03 -1.5390000000e-04  1.6764000000e-03 -2.0510000000e-03  5.8560000000e-03  3.4518000000e-03  7.6875000000e-03
-
-JOB 15
-COORDS  1.1339270000e+00 -5.6427800000e-01  6.6435900000e-01  1.8377710000e+00 -5.2517000000e-02  1.0630270000e+00  5.7887400000e-01  8.5797000000e-02  2.3360300000e-01 -1.1037170000e+00  5.5379700000e-01 -6.4911000000e-01 -8.8265600000e-01 -2.3279700000e-01 -1.1477420000e+00 -2.0031790000e+00  4.0740300000e-01 -3.5624500000e-01
-ENERGY -1.526601798479e+02
-FORCES -5.5392000000e-03  6.8679000000e-03 -1.5239000000e-03 -3.2324000000e-03 -7.1020000000e-04 -1.4898000000e-03  7.8725000000e-03 -6.4500000000e-03 -5.7950000000e-04 -3.5219000000e-03 -5.1607000000e-03  1.7454000000e-03  9.5370000000e-04  5.0766000000e-03  4.5598000000e-03  3.4673000000e-03  3.7640000000e-04 -2.7121000000e-03
-
-JOB 16
-COORDS -1.3495840000e+00 -5.5593700000e-01 -7.3241000000e-02 -4.6763900000e-01 -2.1903400000e-01  8.4564000000e-02 -1.7772400000e+00  1.2498200000e-01 -5.9255800000e-01  1.2783290000e+00  4.6980500000e-01  1.0434000000e-01  1.7184770000e+00  1.0966650000e+00  6.7840200000e-01  1.8499430000e+00  4.0239000000e-01 -6.6047600000e-01
-ENERGY -1.526613798336e+02
-FORCES  9.4687000000e-03  6.4245000000e-03 -1.1170000000e-04 -8.4749000000e-03 -3.7741000000e-03 -7.3350000000e-04  1.2707000000e-03 -1.8909000000e-03  1.2149000000e-03  7.4930000000e-04  3.6040000000e-04 -7.1890000000e-04 -9.9920000000e-04 -2.6912000000e-03 -3.8497000000e-03 -2.0145000000e-03  1.5713000000e-03  4.1989000000e-03
-
-JOB 17
-COORDS  3.1042600000e-01 -9.3950000000e-03 -1.3617430000e+00  3.9338200000e-01  8.8117000000e-01 -1.7026890000e+00 -4.8772600000e-01 -3.4821300000e-01 -1.7671890000e+00 -2.6048400000e-01 -5.6815000000e-02  1.4652640000e+00 -9.0317300000e-01  6.2805100000e-01  1.2804910000e+00  2.2192500000e-01 -1.6081300000e-01  6.4508200000e-01
-ENERGY -1.526598724133e+02
-FORCES -3.6428000000e-03  1.4779000000e-03 -2.0184000000e-03 -1.4811000000e-03 -4.2622000000e-03  2.1643000000e-03  3.7844000000e-03  2.7516000000e-03  1.8774000000e-03  1.2456000000e-03  2.2932000000e-03 -1.1995500000e-02  1.0543000000e-03 -1.6142000000e-03  1.1529000000e-03 -9.6040000000e-04 -6.4640000000e-04  8.8193000000e-03
-
-JOB 18
-COORDS  1.0918260000e+00 -4.8837700000e-01  8.5222600000e-01  1.6518030000e+00 -9.2013700000e-01  2.0705900000e-01  4.3707000000e-01 -2.5023000000e-02  3.2989600000e-01 -1.0248770000e+00  5.2133600000e-01 -7.7339100000e-01 -1.6666210000e+00  7.3272700000e-01 -1.4514090000e+00 -1.4149820000e+00 -2.0894500000e-01 -2.9303700000e-01
-ENERGY -1.526586798667e+02
-FORCES -1.8103000000e-03  4.1330000000e-03 -8.3905000000e-03 -1.7087000000e-03  8.7880000000e-04  2.3463000000e-03 -1.2610000000e-03 -6.5153000000e-03  5.7796000000e-03 -2.5002000000e-03 -7.7900000000e-04 -1.2008000000e-03  1.6932000000e-03 -2.2787000000e-03  3.4665000000e-03  5.5870000000e-03  4.5612000000e-03 -2.0012000000e-03
-
-JOB 19
-COORDS -1.8949900000e-01 -3.4485400000e-01 -1.4339160000e+00 -5.7813000000e-01 -1.2031320000e+00 -1.2649270000e+00 -4.9510400000e-01  2.0345300000e-01 -7.1128500000e-01  1.5814200000e-01  3.5347600000e-01  1.4122840000e+00  6.1515800000e-01 -8.4821000000e-02  6.9446500000e-01  8.0834600000e-01  9.5122500000e-01  1.7812870000e+00
-ENERGY -1.526585584572e+02
-FORCES -6.6915000000e-03  5.6010000000e-04  3.2654000000e-03  3.0551000000e-03  3.6815000000e-03  1.1410000000e-04  6.9932000000e-03 -5.2638000000e-03 -2.5504000000e-03  6.1670000000e-03 -3.2910000000e-04 -1.3129000000e-03 -7.1481000000e-03  4.2927000000e-03  2.5598000000e-03 -2.3756000000e-03 -2.9415000000e-03 -2.0760000000e-03
-
-JOB 20
-COORDS  1.2598950000e+00 -2.8359500000e-01 -7.5079200000e-01  4.6729200000e-01 -1.8738000000e-02 -2.8403400000e-01  1.0191360000e+00 -2.4052300000e-01 -1.6762170000e+00 -1.1483250000e+00  2.9924300000e-01  7.4369600000e-01 -1.6639060000e+00 -4.5170300000e-01  4.4960600000e-01 -1.4440610000e+00  4.5706400000e-01  1.6402810000e+00
-ENERGY -1.526607417960e+02
-FORCES -7.5843000000e-03  3.9963000000e-03  3.3040000000e-03  6.0912000000e-03 -4.2386000000e-03 -7.1383000000e-03 -3.1340000000e-04 -5.7920000000e-04  3.2956000000e-03 -1.3612000000e-03 -1.6454000000e-03  4.0827000000e-03  3.5637000000e-03  3.9908000000e-03  8.3790000000e-04 -3.9590000000e-04 -1.5240000000e-03 -4.3818000000e-03
-
-JOB 21
-COORDS  1.6235700000e-01 -4.6706100000e-01  1.4032580000e+00  5.3419700000e-01 -1.6415000000e-01  5.7487900000e-01  8.0658500000e-01 -1.0884280000e+00  1.7425310000e+00 -1.7025800000e-01  5.2654400000e-01 -1.3581280000e+00 -1.0973080000e+00  5.3134600000e-01 -1.1198290000e+00 -7.5036000000e-02 -2.3025400000e-01 -1.9364200000e+00
-ENERGY -1.526604436757e+02
-FORCES  3.0858000000e-03  1.9649000000e-03 -5.9097000000e-03  2.9390000000e-04 -4.5796000000e-03  8.7816000000e-03 -1.9780000000e-03  2.1290000000e-03 -2.6469000000e-03 -6.4851000000e-03 -2.6394000000e-03 -1.5970000000e-03  4.8447000000e-03  3.5900000000e-05 -2.1595000000e-03  2.3880000000e-04  3.0893000000e-03  3.5314000000e-03
-
-JOB 22
-COORDS  5.8260000000e-02  1.0875500000e+00 -1.0975990000e+00  8.6143700000e-01  1.4353260000e+00 -7.1005500000e-01 -2.0784400000e-01  3.8310200000e-01 -5.0669000000e-01 -9.9330000000e-02 -9.9838700000e-01  1.0059610000e+00 -1.5059300000e-01 -1.8536490000e+00  5.7919300000e-01  7.8845000000e-02 -1.1989650000e+00  1.9247940000e+00
-ENERGY -1.526603463895e+02
-FORCES  2.1546000000e-03 -4.7036000000e-03  8.9450000000e-03 -2.0255000000e-03  8.6800000000e-05 -1.9572000000e-03 -6.4160000000e-04  3.1711000000e-03 -7.6591000000e-03  8.0010000000e-04 -2.6499000000e-03  2.9501000000e-03  1.1960000000e-04  4.6600000000e-03  2.0313000000e-03 -4.0710000000e-04 -5.6440000000e-04 -4.3101000000e-03
-
-JOB 23
-COORDS  2.9015400000e-01 -1.4185190000e+00  9.1300000000e-04  8.9946300000e-01 -1.6987890000e+00 -6.8203900000e-01 -1.1554500000e-01 -2.2292700000e+00  3.0803400000e-01 -2.5529100000e-01  1.5180120000e+00  4.0919000000e-02 -4.6444000000e-01  6.0906400000e-01  2.5609800000e-01 -9.6247600000e-01  1.7956150000e+00 -5.4136800000e-01
-ENERGY -1.526595772715e+02
-FORCES  3.4767000000e-03 -3.4100000000e-03 -2.9386000000e-03 -3.1308000000e-03 -6.0140000000e-04  3.2976000000e-03  1.5575000000e-03  3.9967000000e-03 -1.7093000000e-03 -1.6496000000e-03 -7.3094000000e-03 -1.1564000000e-03 -2.6694000000e-03  8.6268000000e-03  7.3310000000e-04  2.4156000000e-03 -1.3028000000e-03  1.7736000000e-03
-
-JOB 24
-COORDS -3.1349400000e-01 -6.1559400000e-01 -1.3088470000e+00  6.0897600000e-01 -4.6863300000e-01 -1.5178530000e+00 -4.5204400000e-01 -1.5477240000e+00 -1.4766840000e+00  2.0538000000e-01  6.5033200000e-01  1.3305600000e+00  6.8580600000e-01  1.2639160000e+00  7.7473900000e-01  8.6562600000e-01  3.0141800000e-01  1.9293640000e+00
-ENERGY -1.526497396266e+02
-FORCES  3.4166000000e-03 -2.8938000000e-03  2.4598000000e-03 -3.3008000000e-03  6.2740000000e-04  6.4390000000e-04  5.7450000000e-04  3.7902000000e-03  7.9120000000e-04  2.9622000000e-03  1.6840000000e-04 -3.1539000000e-03 -8.3920000000e-04 -2.3739000000e-03  2.3427000000e-03 -2.8134000000e-03  6.8180000000e-04 -3.0837000000e-03
-
-JOB 25
-COORDS  1.0248740000e+00  1.0379950000e+00 -2.3715400000e-01  1.7120020000e+00  1.1962050000e+00  4.1019200000e-01  1.4796360000e+00  6.3324300000e-01 -9.7580000000e-01 -1.0636360000e+00 -1.0802860000e+00  2.5568200000e-01 -1.9305420000e+00 -8.2138900000e-01 -5.6853000000e-02 -5.7081300000e-01 -2.6103200000e-01  3.0235700000e-01
-ENERGY -1.526615550160e+02
-FORCES  5.9993000000e-03 -1.2849000000e-03 -1.7414000000e-03 -3.0924000000e-03 -1.0283000000e-03 -3.2456000000e-03 -1.5359000000e-03  2.6706000000e-03  3.7593000000e-03  2.4607000000e-03  7.4830000000e-03 -1.2989000000e-03  3.1378000000e-03 -5.5100000000e-04  7.4230000000e-04 -6.9695000000e-03 -7.2896000000e-03  1.7843000000e-03
-
-JOB 26
-COORDS  4.6038200000e-01 -8.7857600000e-01  1.0743630000e+00  9.0883200000e-01 -1.6109720000e+00  1.4971160000e+00 -1.3560600000e-01 -5.4325100000e-01  1.7441290000e+00 -4.9297200000e-01  9.4119600000e-01 -1.1652040000e+00  4.4902300000e-01  1.0923600000e+00 -1.0875720000e+00 -6.3608400000e-01  9.5329000000e-02 -7.4063400000e-01
-ENERGY -1.526594061917e+02
-FORCES  1.6090000000e-04 -1.6117000000e-03  5.2483000000e-03 -2.0094000000e-03  3.7661000000e-03 -1.3130000000e-03  2.4806000000e-03 -2.3667000000e-03 -3.7251000000e-03  6.0733000000e-03 -5.9489000000e-03  4.7348000000e-03 -3.1092000000e-03  1.5761000000e-03 -1.9175000000e-03 -3.5962000000e-03  4.5851000000e-03 -3.0276000000e-03
-
-JOB 27
-COORDS  4.2505200000e-01 -4.4083100000e-01 -1.4312370000e+00  8.6348000000e-02 -7.2536000000e-02 -6.1522800000e-01  3.9589400000e-01  2.8631600000e-01 -2.0530390000e+00 -3.5294500000e-01  3.3172800000e-01  1.4408700000e+00 -1.2503610000e+00  7.2689000000e-02  1.2316420000e+00 -3.3946900000e-01  1.2795050000e+00  1.3075730000e+00
-ENERGY -1.526579541737e+02
-FORCES -5.9130000000e-04  3.7522000000e-03  5.8313000000e-03 -1.1639000000e-03 -6.6320000000e-04 -1.0015800000e-02 -3.5330000000e-04 -2.0016000000e-03  3.2974000000e-03 -4.2575000000e-03  2.9154000000e-03  4.4014000000e-03  6.2031000000e-03  1.7379000000e-03 -1.5900000000e-03  1.6290000000e-04 -5.7406000000e-03 -1.9242000000e-03
-
-JOB 28
-COORDS  1.2600500000e+00 -7.4692900000e-01 -5.1401900000e-01  8.6520800000e-01  9.2565000000e-02 -2.7826000000e-01  1.6714150000e+00 -5.8847600000e-01 -1.3636680000e+00 -1.2372930000e+00  7.2260100000e-01  4.9646900000e-01 -1.0137170000e+00 -1.3850800000e-01  8.4965000000e-01 -1.9137300000e+00  1.0556110000e+00  1.0861890000e+00
-ENERGY -1.526593789240e+02
-FORCES -9.3950000000e-04  5.5703000000e-03 -3.4472000000e-03  3.1565000000e-03 -6.8574000000e-03  1.2870000000e-04 -1.1360000000e-03 -3.5380000000e-04  3.1456000000e-03 -3.7327000000e-03 -2.4413000000e-03  3.9134000000e-03  2.7310000000e-04  6.3729000000e-03 -1.3619000000e-03  2.3786000000e-03 -2.2907000000e-03 -2.3785000000e-03
-
-JOB 29
-COORDS -7.8479800000e-01 -1.0794540000e+00  6.6394500000e-01 -1.0863040000e+00 -1.9522260000e+00  9.1612600000e-01 -6.8521400000e-01 -6.1116000000e-01  1.4928080000e+00  8.4908200000e-01  1.0735830000e+00 -7.3315800000e-01  6.3522900000e-01  2.0034060000e+00 -8.1015400000e-01  3.0533000000e-02  6.6110900000e-01 -4.5734200000e-01
-ENERGY -1.526583598837e+02
-FORCES  1.0030000000e-04 -4.3139000000e-03  4.0043000000e-03  1.3630000000e-03  3.8064000000e-03  2.3010000000e-04 -1.3020000000e-03 -1.1017000000e-03 -4.8723000000e-03 -5.0291000000e-03 -1.7901000000e-03  1.5370000000e-04  3.2870000000e-04 -3.8085000000e-03  1.0341000000e-03  4.5391000000e-03  7.2078000000e-03 -5.5000000000e-04
-
-JOB 30
-COORDS -1.3032980000e+00 -1.1718700000e-01  7.6617000000e-01 -1.0483730000e+00  6.7461800000e-01  1.2397630000e+00 -2.1083530000e+00  1.2547900000e-01  3.0875100000e-01  1.3986010000e+00  6.6968000000e-02 -7.9109800000e-01  1.0808190000e+00  5.6401000000e-02  1.1175000000e-01  6.0438300000e-01  5.4443000000e-02 -1.3252260000e+00
-ENERGY -1.526566076369e+02
-FORCES -4.1590000000e-03  3.9672000000e-03  4.6680000000e-04  1.0326000000e-03 -4.3664000000e-03 -3.2225000000e-03  4.0648000000e-03 -9.6870000000e-04  1.6657000000e-03 -9.1298000000e-03 -2.5775000000e-03  3.1363000000e-03  4.3172000000e-03  2.7422000000e-03 -1.0225000000e-03  3.8742000000e-03  1.2032000000e-03 -1.0239000000e-03
-
-JOB 31
-COORDS -1.3774170000e+00  5.6042900000e-01 -1.8914800000e-01 -2.1890590000e+00  4.1178300000e-01  2.9600500000e-01 -1.6092490000e+00  1.2121010000e+00 -8.5082000000e-01  1.4356090000e+00 -6.3011100000e-01  2.4912500000e-01  2.0810380000e+00  1.7166000000e-02 -3.4927000000e-02  7.1136900000e-01 -5.3424900000e-01 -3.6935600000e-01
-ENERGY -1.526574318355e+02
-FORCES -5.1036000000e-03  1.8837000000e-03  1.8607000000e-03  3.0125000000e-03  1.4228000000e-03 -2.7189000000e-03  1.7938000000e-03 -3.1462000000e-03  2.7787000000e-03 -4.8817000000e-03  4.7689000000e-03 -2.9029000000e-03 -2.1214000000e-03 -2.1899000000e-03  7.6290000000e-04  7.3006000000e-03 -2.7393000000e-03  2.1950000000e-04
-
-JOB 32
-COORDS  1.5228400000e-01  1.3060540000e+00  7.6259700000e-01 -7.9501300000e-01  1.3310280000e+00  6.2755700000e-01  3.1902400000e-01  1.9823890000e+00  1.4191040000e+00 -1.2754400000e-01 -1.3756290000e+00 -7.2993800000e-01 -2.7482100000e-01 -4.4940900000e-01 -9.2140000000e-01  2.6812300000e-01 -1.7257270000e+00 -1.5281300000e+00
-ENERGY -1.526542531153e+02
-FORCES -2.4547000000e-03  2.5025000000e-03  4.4942000000e-03  4.9095000000e-03 -8.7820000000e-04 -2.1140000000e-03 -8.5570000000e-04 -3.0106000000e-03 -2.5842000000e-03  3.2226000000e-03  4.4613000000e-03 -2.3748000000e-03 -3.4558000000e-03 -4.3921000000e-03 -6.9620000000e-04 -1.3658000000e-03  1.3169000000e-03  3.2750000000e-03
-
-JOB 33
-COORDS  9.3923000000e-02 -1.4126450000e+00  7.2044300000e-01 -6.3550100000e-01 -1.6122220000e+00  1.3072490000e+00 -2.8553100000e-01 -8.4351300000e-01  5.0865000000e-02  5.6880000000e-03  1.3311660000e+00 -6.9863000000e-01  1.2906600000e-01  1.8920080000e+00 -1.4644410000e+00 -7.1371400000e-01  1.7385570000e+00 -2.1621500000e-01
-ENERGY -1.526574290195e+02
-FORCES -2.5788000000e-03  4.2067000000e-03 -2.8223000000e-03  2.4374000000e-03  1.6677000000e-03 -2.2188000000e-03 -1.2789000000e-03 -6.5470000000e-03  5.0794000000e-03 -4.1420000000e-04  5.9498000000e-03 -1.3342000000e-03 -7.2660000000e-04 -2.0001000000e-03  3.9173000000e-03  2.5611000000e-03 -3.2771000000e-03 -2.6214000000e-03
-
-JOB 34
-COORDS -3.5851300000e-01  1.0916330000e+00 -1.0513830000e+00 -3.4512100000e-01  2.5355200000e-01 -1.5136300000e+00 -8.9565200000e-01  1.6610130000e+00 -1.6023090000e+00  3.7962500000e-01 -1.1039330000e+00  1.0435910000e+00  7.5368300000e-01 -1.4552080000e+00  1.8516250000e+00  7.6744000000e-02 -2.2738600000e-01  1.2805730000e+00
-ENERGY -1.526583479298e+02
-FORCES -1.4061000000e-03 -2.3565000000e-03 -5.0130000000e-03 -1.0476000000e-03  5.2242000000e-03  6.4320000000e-04  2.2328000000e-03 -2.5525000000e-03  2.1383000000e-03  7.9200000000e-05  3.8765000000e-03  3.4383000000e-03 -1.5619000000e-03  1.8148000000e-03 -2.9753000000e-03  1.7036000000e-03 -6.0065000000e-03  1.7685000000e-03
-
-JOB 35
-COORDS -4.1302300000e-01  1.6100740000e+00  1.4780200000e-01 -4.6719600000e-01  9.0259900000e-01 -4.9467400000e-01  4.0706000000e-02  1.2210460000e+00  8.9547800000e-01  4.1766800000e-01 -1.4902360000e+00 -1.2256500000e-01 -4.9513800000e-01 -1.6371740000e+00 -3.7040900000e-01  8.7059200000e-01 -2.2900970000e+00 -3.8961100000e-01
-ENERGY -1.526573638862e+02
-FORCES  4.6552000000e-03 -6.9482000000e-03  4.3490000000e-04 -3.3843000000e-03  3.3306000000e-03  1.1635000000e-03 -2.6528000000e-03  3.6519000000e-03 -1.4701000000e-03 -6.0230000000e-04 -6.0313000000e-03 -1.8367000000e-03  4.4662000000e-03  2.7054000000e-03  4.1250000000e-04 -2.4819000000e-03  3.2917000000e-03  1.2959000000e-03
-
-JOB 36
-COORDS  1.6337170000e+00  4.8197000000e-02 -2.3665900000e-01  6.7721400000e-01  7.0049000000e-02 -2.0740800000e-01  1.8857920000e+00 -4.6127800000e-01  5.3348700000e-01 -1.5354780000e+00 -1.8771000000e-02  2.1731600000e-01 -2.1560000000e+00 -7.4729000000e-01  2.3841400000e-01 -1.9829690000e+00  6.6319600000e-01 -2.8358800000e-01
-ENERGY -1.526607402028e+02
-FORCES -6.6229000000e-03 -2.1110000000e-03  4.0490000000e-03  8.7952000000e-03  1.4038000000e-03 -2.1603000000e-03 -1.2160000000e-04  1.3823000000e-03 -2.6182000000e-03 -6.4047000000e-03 -8.7460000000e-04 -1.3873000000e-03  2.1003000000e-03  3.8050000000e-03 -2.7000000000e-06  2.2536000000e-03 -3.6056000000e-03  2.1195000000e-03
-
-JOB 37
-COORDS  2.7717800000e-01 -5.3691300000e-01  1.4813950000e+00 -9.9440000000e-02 -1.2856130000e+00  1.0189680000e+00  1.1866390000e+00 -7.8764500000e-01  1.6434080000e+00 -3.7334300000e-01  6.0267700000e-01 -1.4738370000e+00  1.9425800000e-01  9.4716800000e-01 -7.8435400000e-01  2.0411600000e-01  6.0978000000e-02 -2.0117350000e+00
-ENERGY -1.526565144400e+02
-FORCES -2.6940000000e-04 -5.6225000000e-03 -8.5130000000e-04  2.9299000000e-03  2.5182000000e-03  2.9472000000e-03 -3.7218000000e-03  1.8149000000e-03 -1.9535000000e-03  4.9993000000e-03 -1.4730000000e-04  3.6188000000e-03 -1.5706000000e-03  1.2170000000e-04 -6.1664000000e-03 -2.3674000000e-03  1.3149000000e-03  2.4053000000e-03
-
-JOB 38
-COORDS -7.5040500000e-01  2.4489000000e-02  1.3681490000e+00 -9.0821800000e-01 -7.7174700000e-01  1.8754310000e+00 -6.2597900000e-01  7.0789900000e-01  2.0267090000e+00  7.9863600000e-01  3.2985000000e-02 -1.4363840000e+00  7.0033900000e-01 -7.3304100000e-01 -2.0018700000e+00  1.0522800000e-01 -6.0373000000e-02 -7.8316000000e-01
-ENERGY -1.526598112314e+02
-FORCES  6.3480000000e-04  6.3110000000e-04  6.3310000000e-03  5.4110000000e-04  3.5525000000e-03 -2.1197000000e-03 -1.1747000000e-03 -3.6262000000e-03 -1.9380000000e-03 -4.3337000000e-03 -2.4332000000e-03  3.6831000000e-03  1.9420000000e-04  2.3636000000e-03  2.3465000000e-03  4.1383000000e-03 -4.8780000000e-04 -8.3030000000e-03
-
-JOB 39
-COORDS  2.6020000000e-03 -1.4514100000e+00  8.1112200000e-01  2.0157600000e-01 -1.3127630000e+00  1.7370910000e+00 -9.8111000000e-02 -5.6960300000e-01  4.5264700000e-01 -5.1113000000e-02  1.3669180000e+00 -8.0020000000e-01  7.6587500000e-01  1.0096240000e+00 -1.1482010000e+00 -1.7614300000e-01  2.1877830000e+00 -1.2764130000e+00
-ENERGY -1.526592565333e+02
-FORCES -1.5120000000e-03  5.9346000000e-03  1.7611000000e-03 -5.2890000000e-04 -6.9320000000e-04 -3.3033000000e-03  3.4940000000e-03 -7.2734000000e-03  2.0968000000e-03  1.4721000000e-03  4.3270000000e-03 -4.9432000000e-03 -4.5056000000e-03  1.1100000000e-03  2.9744000000e-03  1.5804000000e-03 -3.4050000000e-03  1.4142000000e-03
-
-JOB 40
-COORDS  1.5242700000e-01  1.5959200000e-01 -1.6644910000e+00  7.8454000000e-01  8.7335100000e-01 -1.5795640000e+00  3.1702200000e-01 -3.9845400000e-01 -9.0440900000e-01 -1.7119700000e-01 -2.0206700000e-01  1.5720630000e+00 -3.1394500000e-01 -4.3369400000e-01  2.4897800000e+00 -4.8479100000e-01  6.9947100000e-01  1.5005160000e+00
-ENERGY -1.526586151193e+02
-FORCES  3.3942000000e-03 -1.2283000000e-03  5.0932000000e-03 -2.8684000000e-03 -1.9380000000e-03 -2.5740000000e-04 -8.6700000000e-05  2.9507000000e-03 -6.6798000000e-03 -3.0665000000e-03  2.4847000000e-03  4.6312000000e-03  2.9850000000e-04  1.6838000000e-03 -3.7419000000e-03  2.3289000000e-03 -3.9530000000e-03  9.5470000000e-04
-
-JOB 41
-COORDS -9.7577100000e-01  1.0197060000e+00 -7.4535700000e-01 -1.9084510000e+00  8.8165900000e-01 -9.1053200000e-01 -6.0349000000e-01  1.2010880000e+00 -1.6083400000e+00  1.0401740000e+00 -1.0479150000e+00  7.5697100000e-01  1.2499140000e+00 -9.4100400000e-01  1.6847700000e+00  1.8131700000e-01 -6.3749100000e-01  6.5624000000e-01
-ENERGY -1.526590663463e+02
-FORCES -1.3124000000e-03  1.8285000000e-03 -6.4373000000e-03  4.3259000000e-03  1.4520000000e-04  1.0951000000e-03 -2.8378000000e-03 -2.2410000000e-04  3.4770000000e-03 -4.0730000000e-03  4.3420000000e-03  1.3703000000e-03 -9.5380000000e-04 -3.2270000000e-04 -3.2858000000e-03  4.8510000000e-03 -5.7688000000e-03  3.7808000000e-03
-
-JOB 42
-COORDS  1.0435400000e+00 -1.1563020000e+00  6.9935900000e-01  1.5972200000e-01 -1.3797280000e+00  4.0750700000e-01  9.9583100000e-01 -2.2576100000e-01  9.1856200000e-01 -9.6180000000e-01  1.0729600000e+00 -7.0278600000e-01 -1.8834090000e+00  1.2433490000e+00 -8.9730400000e-01 -6.4015700000e-01  1.8927500000e+00 -3.2765600000e-01
-ENERGY -1.526564633749e+02
-FORCES -6.2445000000e-03  4.9291000000e-03 -2.9087000000e-03  3.7751000000e-03 -2.1792000000e-03  2.4120000000e-03  2.2511000000e-03 -2.6819000000e-03  1.0934000000e-03 -2.9833000000e-03  5.2161000000e-03 -7.8570000000e-04  4.1753000000e-03 -9.3390000000e-04  9.3810000000e-04 -9.7380000000e-04 -4.3502000000e-03 -7.4900000000e-04
-
-JOB 43
-COORDS  5.9112800000e-01  1.2844140000e+00 -9.2047300000e-01  9.9049000000e-02  1.6493440000e+00 -1.6559430000e+00  1.0344200000e-01  4.9933500000e-01 -6.7138500000e-01 -4.7608400000e-01 -1.2327440000e+00  9.5360600000e-01 -7.5720300000e-01 -1.8035950000e+00  2.3853000000e-01 -1.2440820000e+00 -1.1623450000e+00  1.5205760000e+00
-ENERGY -1.526573476686e+02
-FORCES -3.7675000000e-03 -3.1978000000e-03  9.6800000000e-04  1.4688000000e-03 -1.8727000000e-03  2.9507000000e-03  2.0815000000e-03  5.1575000000e-03 -6.3708000000e-03 -4.6244000000e-03 -4.1528000000e-03  3.3394000000e-03  1.4520000000e-03  4.9070000000e-03  2.0726000000e-03  3.3896000000e-03 -8.4120000000e-04 -2.9599000000e-03
-
-JOB 44
-COORDS -7.0272900000e-01  1.4210910000e+00  3.6534800000e-01  9.3941000000e-02  1.9384070000e+00  2.4730200000e-01 -1.1882860000e+00  1.8810540000e+00  1.0501100000e+00  6.8149500000e-01 -1.5321220000e+00 -3.6683200000e-01  1.1129100000e+00 -7.2604200000e-01 -8.3374000000e-02  3.4167100000e-01 -1.3287850000e+00 -1.2382710000e+00
-ENERGY -1.526542118274e+02
-FORCES -6.1020000000e-04  4.3187000000e-03  3.4842000000e-03 -2.4737000000e-03 -3.9743000000e-03  7.7500000000e-05  2.2054000000e-03 -1.7002000000e-03 -3.1768000000e-03 -2.7074000000e-03  6.6615000000e-03 -1.2235000000e-03  1.2719000000e-03 -3.5074000000e-03 -1.6629000000e-03  2.3140000000e-03 -1.7982000000e-03  2.5015000000e-03
-
-JOB 45
-COORDS -1.4357040000e+00 -4.3988200000e-01  8.0503700000e-01 -4.8850200000e-01 -4.8494700000e-01  9.3546200000e-01 -1.8067680000e+00 -7.2740600000e-01  1.6392270000e+00  1.3997650000e+00  5.0261500000e-01 -8.0696200000e-01  6.7334500000e-01  2.3113000000e-02 -1.2052380000e+00  2.1649410000e+00  2.5270200000e-01 -1.3249200000e+00
-ENERGY -1.526575034302e+02
-FORCES  2.6413000000e-03 -2.9870000000e-04  5.0820000000e-03 -6.0527000000e-03 -1.5583000000e-03 -1.5379000000e-03  1.6239000000e-03  1.1169000000e-03 -3.1157000000e-03  4.9530000000e-04 -1.6741000000e-03 -5.8113000000e-03  4.6384000000e-03  1.3089000000e-03  3.3754000000e-03 -3.3461000000e-03  1.1053000000e-03  2.0076000000e-03
-
-JOB 46
-COORDS  3.2528700000e-01 -1.7180470000e+00 -4.7514000000e-02  2.2990500000e-01 -7.6605600000e-01 -1.8413000000e-02  9.8756300000e-01 -1.8724000000e+00 -7.2115900000e-01 -2.9556700000e-01  1.6597470000e+00  1.0802700000e-01 -6.3305900000e-01  1.4521420000e+00 -7.6331100000e-01 -1.0164990000e+00  2.1157520000e+00  5.4225000000e-01
-ENERGY -1.526581309443e+02
-FORCES  2.7090000000e-03  4.8738000000e-03 -5.0210000000e-04  1.2830000000e-04 -7.6029000000e-03 -3.2648000000e-03 -2.8469000000e-03  8.1620000000e-04  2.1439000000e-03 -5.8548000000e-03  4.5099000000e-03 -4.6670000000e-04  2.6507000000e-03 -1.1488000000e-03  4.6698000000e-03  3.2137000000e-03 -1.4482000000e-03 -2.5801000000e-03
-
-JOB 47
-COORDS -9.3444600000e-01 -2.6998100000e-01  1.3722290000e+00 -1.6517660000e+00 -2.3173500000e-01  2.0048600000e+00 -3.7419500000e-01  4.7210800000e-01  1.5995040000e+00  9.9636700000e-01  2.2810800000e-01 -1.3877070000e+00  1.1421400000e-01  3.7555200000e-01 -1.0466800000e+00  8.6804500000e-01  6.2711000000e-02 -2.3217350000e+00
-ENERGY -1.526567841323e+02
-FORCES -3.8710000000e-04  2.0753000000e-03  5.8154000000e-03  3.2877000000e-03 -1.7930000000e-04 -2.5453000000e-03 -3.6393000000e-03 -2.8134000000e-03 -2.2564000000e-03 -5.2197000000e-03 -1.7111000000e-03 -1.6662000000e-03  5.4870000000e-03  1.9406000000e-03 -2.8187000000e-03  4.7140000000e-04  6.8800000000e-04  3.4711000000e-03
-
-JOB 48
-COORDS  8.4166300000e-01 -1.4605510000e+00 -1.6463500000e-01  1.3059030000e+00 -1.6553710000e+00 -9.7873400000e-01  1.5267310000e+00 -1.1751470000e+00  4.3989700000e-01 -8.5662300000e-01  1.5073630000e+00  1.5723500000e-01 -7.3905300000e-01  5.6134600000e-01  7.0865000000e-02 -1.7254800000e+00  1.6066760000e+00  5.4641000000e-01
-ENERGY -1.526594111302e+02
-FORCES  6.7570000000e-03 -9.9360000000e-04 -1.4979000000e-03 -1.6864000000e-03  5.2290000000e-04  3.7977000000e-03 -3.3212000000e-03 -1.4715000000e-03 -2.8231000000e-03 -2.0324000000e-03 -5.1429000000e-03  3.9020000000e-04 -2.9537000000e-03  7.6274000000e-03  1.5125000000e-03  3.2367000000e-03 -5.4230000000e-04 -1.3794000000e-03
-
-JOB 49
-COORDS -3.8895700000e-01 -1.4142910000e+00 -1.0184310000e+00  1.2683400000e-01 -8.9221800000e-01 -4.0391400000e-01 -6.9522700000e-01 -7.8409700000e-01 -1.6705710000e+00  4.1162400000e-01  1.3388360000e+00  9.5877700000e-01 -5.1394800000e-01  1.5373370000e+00  1.1007120000e+00  7.9369200000e-01  1.3355530000e+00  1.8364130000e+00
-ENERGY -1.526588641066e+02
-FORCES  2.3730000000e-03  6.4126000000e-03  7.8870000000e-04 -3.0071000000e-03 -5.6824000000e-03 -3.8498000000e-03  2.7730000000e-04 -2.6315000000e-03  2.0885000000e-03 -2.0546000000e-03  3.0793000000e-03  5.8517000000e-03  4.3600000000e-03 -1.1561000000e-03 -9.9080000000e-04 -1.9486000000e-03 -2.1900000000e-05 -3.8883000000e-03
-
-JOB 50
-COORDS  6.9362700000e-01 -1.6366170000e+00  2.6229200000e-01  5.6190900000e-01 -7.4634600000e-01  5.8833000000e-01 -1.5774400000e-01 -2.0604010000e+00  3.7095000000e-01 -6.0339500000e-01  1.6579380000e+00 -2.5955300000e-01 -4.8248500000e-01  7.3044500000e-01 -4.6294500000e-01 -1.5178400000e+00  1.8348150000e+00 -4.8031800000e-01
-ENERGY -1.526544498739e+02
-FORCES -2.3261000000e-03  1.8640000000e-04  4.6306000000e-03 -1.5255000000e-03 -3.4899000000e-03 -5.4037000000e-03  3.5657000000e-03  2.6575000000e-03 -1.3605000000e-03 -3.9671000000e-03 -1.9787000000e-03 -3.9019000000e-03  2.5110000000e-04  3.4664000000e-03  5.0453000000e-03  4.0020000000e-03 -8.4170000000e-04  9.9010000000e-04
-
-JOB 51
-COORDS -1.6692700000e-01 -1.2417060000e+00 -1.2511240000e+00 -7.0282000000e-01 -5.6823000000e-01 -8.3221900000e-01 -7.3426400000e-01 -2.0118100000e+00 -1.2871720000e+00  1.7510100000e-01  1.2033020000e+00  1.2157810000e+00  1.0743700000e-01  2.1571470000e+00  1.2585970000e+00  1.0811090000e+00  1.0157280000e+00  1.4611340000e+00
-ENERGY -1.526574291800e+02
-FORCES -4.2745000000e-03  1.2307000000e-03  2.9358000000e-03  8.2250000000e-04 -4.8519000000e-03 -4.4586000000e-03  2.1525000000e-03  2.9278000000e-03  2.1710000000e-04  5.0432000000e-03  3.0153000000e-03  1.8025000000e-03  2.1130000000e-04 -4.0512000000e-03 -2.5640000000e-04 -3.9549000000e-03  1.7292000000e-03 -2.4030000000e-04
-
-JOB 52
-COORDS  1.0930940000e+00  1.3206840000e+00 -8.9488000000e-02  1.6667760000e+00  1.7463490000e+00  5.4763800000e-01  6.7611500000e-01  2.0439180000e+00 -5.5777600000e-01 -1.1538490000e+00 -1.3656220000e+00  9.8056000000e-02 -2.9129800000e-01 -1.0601040000e+00  3.7894100000e-01 -9.6903900000e-01 -2.0190730000e+00 -5.7653900000e-01
-ENERGY -1.526574609708e+02
-FORCES -1.5220000000e-04  6.2528000000e-03 -2.0910000000e-04 -2.5166000000e-03 -2.0421000000e-03 -2.6206000000e-03  2.7230000000e-03 -2.4593000000e-03  2.0436000000e-03  5.6976000000e-03  6.7000000000e-04 -1.6993000000e-03 -4.8277000000e-03 -4.6776000000e-03  6.1600000000e-05 -9.2410000000e-04  2.2563000000e-03  2.4238000000e-03
-
-JOB 53
-COORDS -2.9802000000e-01 -1.5817220000e+00  6.0083600000e-01 -3.2455100000e-01 -2.5380070000e+00  5.6850700000e-01 -9.8609200000e-01 -1.3434190000e+00  1.2221250000e+00  3.9242800000e-01  1.6558970000e+00 -6.4570600000e-01  3.0815800000e-01  7.7993300000e-01 -2.6911800000e-01 -5.0526200000e-01  1.9152000000e+00 -8.5342200000e-01
-ENERGY -1.526582158054e+02
-FORCES -2.3639000000e-03 -5.8932000000e-03  2.5599000000e-03 -5.6870000000e-04  3.9569000000e-03  8.5990000000e-04  3.0514000000e-03 -2.9680000000e-04 -3.3851000000e-03 -3.3819000000e-03 -4.8135000000e-03  5.0540000000e-04  1.6690000000e-04  7.6553000000e-03 -1.5805000000e-03  3.0963000000e-03 -6.0870000000e-04  1.0404000000e-03
-
-JOB 54
-COORDS  1.8535600000e-01  1.1986900000e-01  1.7546980000e+00  2.5407400000e-01 -7.8733200000e-01  1.4572160000e+00  9.3627700000e-01  2.3929800000e-01  2.3361500000e+00 -2.8740600000e-01 -7.1741000000e-02 -1.7473760000e+00 -5.0286000000e-02 -5.7319700000e-01 -2.5274710000e+00  5.4727100000e-01  2.4751000000e-01 -1.4044130000e+00
-ENERGY -1.526549804366e+02
-FORCES  1.5866000000e-03 -4.0704000000e-03  1.8849000000e-03  1.0436000000e-03  4.1358000000e-03  1.9297000000e-03 -2.9428000000e-03 -3.5400000000e-04 -3.0738000000e-03  4.1902000000e-03  1.0451000000e-03 -1.4673000000e-03 -9.2470000000e-04  1.8199000000e-03  3.6632000000e-03 -2.9529000000e-03 -2.5764000000e-03 -2.9367000000e-03
-
-JOB 55
-COORDS  1.4698570000e+00 -2.0267600000e-01  1.1159270000e+00  1.3931120000e+00  2.7114900000e-01  2.8777700000e-01  6.0545200000e-01 -1.2265100000e-01  1.5192020000e+00 -1.4165130000e+00  2.1343100000e-01 -1.0452040000e+00 -9.1565700000e-01  1.9943600000e-01 -1.8607900000e+00 -1.9599230000e+00 -5.7362200000e-01 -1.0837520000e+00
-ENERGY -1.526566322189e+02
-FORCES -6.2104000000e-03  2.8548000000e-03 -2.6560000000e-03  2.5978000000e-03 -1.7729000000e-03  2.5997000000e-03  4.3376000000e-03 -9.4720000000e-04  3.2500000000e-04 -1.5119000000e-03 -4.0467000000e-03 -4.4538000000e-03 -1.4061000000e-03  3.3630000000e-04  4.0275000000e-03  2.1932000000e-03  3.5757000000e-03  1.5760000000e-04
-
-JOB 56
-COORDS -7.6029100000e-01  1.8396600000e-01 -1.6334680000e+00 -2.7096800000e-01  1.0011620000e+00 -1.5386740000e+00 -1.1810900000e-01 -4.4307700000e-01 -1.9661110000e+00  7.7135000000e-01 -1.9467100000e-01  1.6382780000e+00  9.9970000000e-02 -4.6300000000e-01  1.0109970000e+00  2.7920600000e-01  1.2693500000e-01  2.3936560000e+00
-ENERGY -1.526578546248e+02
-FORCES  4.8515000000e-03  2.1265000000e-03 -3.5776000000e-03 -2.6409000000e-03 -3.8809000000e-03 -3.7130000000e-04 -3.0818000000e-03  2.4245000000e-03  2.3382000000e-03 -5.8023000000e-03 -7.0500000000e-05  3.8200000000e-05  4.6667000000e-03  4.9450000000e-04  4.4592000000e-03  2.0067000000e-03 -1.0940000000e-03 -2.8866000000e-03
-
-JOB 57
-COORDS -6.8642500000e-01  1.7342710000e+00 -1.1752200000e-01 -1.0810860000e+00  1.3278360000e+00  6.5402500000e-01 -9.4068400000e-01  1.1660470000e+00 -8.4464300000e-01  7.4937200000e-01 -1.6448730000e+00  6.1636000000e-02  6.3347700000e-01 -2.5911620000e+00  1.4729200000e-01  4.0012300000e-01 -1.2855230000e+00  8.7718800000e-01
-ENERGY -1.526542531593e+02
-FORCES -2.1109000000e-03 -4.5664000000e-03 -1.2262000000e-03  2.0975000000e-03  1.0929000000e-03 -2.3382000000e-03 -4.2500000000e-05  3.4938000000e-03  3.2478000000e-03 -4.0420000000e-04 -2.5199000000e-03  4.2766000000e-03  2.8610000000e-04  4.2683000000e-03 -4.6820000000e-04  1.7390000000e-04 -1.7688000000e-03 -3.4918000000e-03
-
-JOB 58
-COORDS -1.1279540000e+00 -4.1268500000e-01 -1.4787340000e+00 -2.7742200000e-01 -6.0280200000e-01 -1.8745650000e+00 -1.0169870000e+00  4.4709700000e-01 -1.0729100000e+00  1.1259680000e+00  4.1822400000e-01  1.4641530000e+00  7.5299700000e-01  1.8830100000e-01  2.3151880000e+00  6.4947000000e-01 -1.2697600000e-01  8.3810400000e-01
-ENERGY -1.526561694530e+02
-FORCES  2.4883000000e-03  3.9464000000e-03 -2.9881000000e-03 -3.6248000000e-03  4.7950000000e-04  3.1250000000e-03  4.6600000000e-05 -5.4164000000e-03 -7.4430000000e-04 -3.5170000000e-03 -4.2813000000e-03  1.9751000000e-03  1.6653000000e-03  1.1509000000e-03 -3.4528000000e-03  2.9416000000e-03  4.1210000000e-03  2.0850000000e-03
-
-JOB 59
-COORDS -2.8682300000e-01  1.6089610000e+00 -9.6812600000e-01 -5.3591100000e-01  1.5325730000e+00 -4.7066000000e-02 -8.7273500000e-01  2.2789070000e+00 -1.3204200000e+00  2.7382600000e-01 -1.6749920000e+00  9.6412000000e-01  8.7929900000e-01 -1.1301090000e+00  1.4668500000e+00  5.6279000000e-01 -1.5802780000e+00  5.6507000000e-02
-ENERGY -1.526560770332e+02
-FORCES -4.3710000000e-03  2.5530000000e-03  2.2166000000e-03  1.9006000000e-03  1.0909000000e-03 -3.9716000000e-03  2.3706000000e-03 -2.6481000000e-03  1.5719000000e-03  4.2387000000e-03  1.9483000000e-03 -2.8098000000e-03 -3.0873000000e-03 -1.6971000000e-03 -1.6601000000e-03 -1.0517000000e-03 -1.2470000000e-03  4.6530000000e-03
-
-JOB 60
-COORDS -9.9111300000e-01  1.5226860000e+00 -3.9859900000e-01 -1.0203700000e+00  1.5822930000e+00 -1.3534940000e+00 -9.0870100000e-01  2.4296680000e+00 -1.0394100000e-01  9.9895000000e-01 -1.6417210000e+00  4.0069800000e-01  1.6213610000e+00 -1.2549750000e+00  1.0165420000e+00  2.4934800000e-01 -1.0465640000e+00  4.1153000000e-01
-ENERGY -1.526575087416e+02
-FORCES -2.3740000000e-04  5.1466000000e-03 -3.4512000000e-03 -2.2900000000e-05  1.8800000000e-05  4.2524000000e-03 -3.1710000000e-04 -3.7366000000e-03 -1.3987000000e-03 -1.5226000000e-03  5.4644000000e-03  2.2208000000e-03 -1.8967000000e-03 -1.8117000000e-03 -2.1147000000e-03  3.9966000000e-03 -5.0816000000e-03  4.9140000000e-04
-
-JOB 61
-COORDS  9.2717100000e-01  1.5332960000e+00  7.3153800000e-01  1.7121520000e+00  9.9685200000e-01  8.4228600000e-01  1.1342320000e+00  2.1132160000e+00 -1.2990000000e-03 -9.8524600000e-01 -1.4755100000e+00 -7.3196500000e-01 -1.3837840000e+00 -2.3137610000e+00 -9.6591700000e-01 -5.5990900000e-01 -1.6386460000e+00  1.0988300000e-01
-ENERGY -1.526540395074e+02
-FORCES  3.5603000000e-03  6.2430000000e-04 -3.8800000000e-03 -3.4431000000e-03  1.6168000000e-03  3.8000000000e-06 -3.3330000000e-04 -1.8913000000e-03  3.4551000000e-03 -4.3400000000e-05 -3.2136000000e-03  3.3936000000e-03  1.6953000000e-03  3.5775000000e-03  8.5810000000e-04 -1.4357000000e-03 -7.1380000000e-04 -3.8306000000e-03
-
-JOB 62
-COORDS -1.4771700000e+00 -4.1546400000e-01 -1.3648200000e+00 -1.6811920000e+00 -1.3455150000e+00 -1.4628600000e+00 -5.7875200000e-01 -4.0033200000e-01 -1.0349000000e+00  1.3813520000e+00  4.4581800000e-01  1.3499070000e+00  1.8385470000e+00  7.8531800000e-01  5.8052800000e-01  1.9513230000e+00  6.6920100000e-01  2.0857500000e+00
-ENERGY -1.526549987880e+02
-FORCES  2.9746000000e-03 -3.7939000000e-03  2.5612000000e-03  6.4650000000e-04  3.6506000000e-03  3.7000000000e-05 -3.4065000000e-03  1.6800000000e-04 -3.4457000000e-03  4.6050000000e-03  3.1704000000e-03  1.4845000000e-03 -2.6481000000e-03 -2.3366000000e-03  2.5489000000e-03 -2.1716000000e-03 -8.5850000000e-04 -3.1859000000e-03
-
-JOB 63
-COORDS  1.9237610000e+00 -7.3442500000e-01  8.8920000000e-03  2.4198050000e+00 -3.2415700000e-01 -6.9952400000e-01  1.6629440000e+00 -5.9630000000e-03  5.7240800000e-01 -1.9520720000e+00  6.5248800000e-01 -5.8291000000e-02 -1.8997010000e+00  1.5731340000e+00  1.9842100000e-01 -1.7005020000e+00  1.6921100000e-01  7.2872000000e-01
-ENERGY -1.526536639994e+02
-FORCES  4.5750000000e-04  4.9399000000e-03 -1.7751000000e-03 -1.5404000000e-03 -1.7007000000e-03  3.1522000000e-03  9.5960000000e-04 -3.0887000000e-03 -1.4084000000e-03  6.1530000000e-04  8.2380000000e-04  4.0468000000e-03  4.1880000000e-04 -3.8275000000e-03 -1.0782000000e-03 -9.1090000000e-04  2.8532000000e-03 -2.9373000000e-03
-
-JOB 64
-COORDS -1.4365720000e+00 -6.5149000000e-02 -1.6399070000e+00 -9.0587200000e-01 -3.2697000000e-01 -8.8755200000e-01 -9.8990300000e-01  7.0454400000e-01 -1.9924550000e+00  1.4195350000e+00  1.9208000000e-02  1.6679470000e+00  1.4080730000e+00 -4.0940700000e-01  8.1214900000e-01  6.8700900000e-01  6.3462400000e-01  1.6379570000e+00
-ENERGY -1.526526753069e+02
-FORCES  3.2841000000e-03  1.9772000000e-03  8.2990000000e-04 -1.2330000000e-03  1.5734000000e-03 -2.7507000000e-03 -1.7370000000e-03 -3.4930000000e-03  2.0343000000e-03 -2.0790000000e-03  9.0230000000e-04 -2.4963000000e-03 -1.3389000000e-03  2.2605000000e-03  3.2147000000e-03  3.1037000000e-03 -3.2204000000e-03 -8.3190000000e-04
-
-JOB 65
-COORDS -6.5936100000e-01  1.3721960000e+00 -1.4645830000e+00 -1.3102800000e+00  2.0735330000e+00 -1.4388500000e+00 -1.1716010000e+00  5.6665800000e-01 -1.3942150000e+00  7.7077700000e-01 -1.3591620000e+00  1.4098730000e+00  3.7453000000e-02 -7.8535700000e-01  1.6317200000e+00  6.8878700000e-01 -2.0976100000e+00  2.0133660000e+00
-ENERGY -1.526538725055e+02
-FORCES -4.3215000000e-03 -7.5210000000e-04 -5.1450000000e-04  2.7364000000e-03 -2.9930000000e-03  1.9660000000e-04  1.6287000000e-03  3.8252000000e-03  2.1670000000e-04 -2.7669000000e-03 -2.3000000000e-06  3.6054000000e-03  2.4501000000e-03 -3.1475000000e-03 -8.8300000000e-04  2.7310000000e-04  3.0696000000e-03 -2.6213000000e-03
-
-JOB 66
-COORDS -1.8788360000e+00 -9.3494900000e-01  6.8262000000e-01 -2.4162120000e+00 -6.0832800000e-01 -3.9029000000e-02 -1.6990990000e+00 -1.6151800000e-01  1.2171570000e+00  1.8507810000e+00  8.9919200000e-01 -7.1272700000e-01  2.7399100000e+00  1.2242930000e+00 -5.7134100000e-01  1.7797790000e+00  1.3690600000e-01 -1.3817400000e-01
-ENERGY -1.526552922635e+02
-FORCES -1.8896000000e-03  4.9603000000e-03 -1.3499000000e-03  1.8328000000e-03 -1.5646000000e-03  3.2001000000e-03 -4.9650000000e-04 -3.5567000000e-03 -1.8376000000e-03  3.3588000000e-03 -2.4805000000e-03  2.6284000000e-03 -3.6600000000e-03 -1.2768000000e-03 -4.9670000000e-04  8.5460000000e-04  3.9184000000e-03 -2.1444000000e-03
-
-JOB 67
-COORDS  2.0118720000e+00 -7.3271100000e-01  7.2280900000e-01  1.2610050000e+00 -1.1194180000e+00  1.1732400000e+00  1.8677320000e+00  2.1164000000e-01  7.8328900000e-01 -2.0229640000e+00  7.3684900000e-01 -7.3369800000e-01 -1.5908910000e+00  5.9510000000e-02 -2.1335400000e-01 -1.4787970000e+00  8.2168700000e-01 -1.5165870000e+00
-ENERGY -1.526541743213e+02
-FORCES -2.3890000000e-03  2.3631000000e-03  3.1843000000e-03  2.4176000000e-03  1.8216000000e-03 -2.7124000000e-03  1.8280000000e-04 -4.3837000000e-03 -7.2930000000e-04  3.7058000000e-03 -2.8261000000e-03 -2.0092000000e-03 -1.5343000000e-03  3.0570000000e-03 -1.2467000000e-03 -2.3830000000e-03 -3.1900000000e-05  3.5132000000e-03
-
-JOB 68
-COORDS  1.2304520000e+00  1.2538800000e+00 -1.4667260000e+00  3.9745900000e-01  1.5695680000e+00 -1.8170070000e+00  1.1395620000e+00  1.3394110000e+00 -5.1769700000e-01 -1.1758820000e+00 -1.2851870000e+00  1.5007060000e+00 -5.3811800000e-01 -1.6419310000e+00  8.8246400000e-01 -1.7990410000e+00 -8.0711800000e-01  9.5357300000e-01
-ENERGY -1.526547733419e+02
-FORCES -3.1354000000e-03  2.6809000000e-03  2.4964000000e-03  3.2025000000e-03 -1.7681000000e-03  1.5465000000e-03  1.5270000000e-04 -7.9300000000e-04 -4.4578000000e-03 -2.0950000000e-04 -6.2900000000e-04 -4.8815000000e-03 -2.7908000000e-03  1.8966000000e-03  2.9796000000e-03  2.7806000000e-03 -1.3874000000e-03  2.3168000000e-03
-
-JOB 69
-COORDS -1.6939380000e+00  7.8735100000e-01  1.3625560000e+00 -2.0380980000e+00 -2.0645000000e-02  9.8186100000e-01 -1.0997250000e+00  4.9326400000e-01  2.0529590000e+00  1.6783410000e+00 -7.8219600000e-01 -1.3648980000e+00  1.8867590000e+00  3.0700000000e-04 -8.5452300000e-01  1.4409700000e+00 -4.4829200000e-01 -2.2299960000e+00
-ENERGY -1.526550781904e+02
-FORCES  8.9620000000e-04 -5.1333000000e-03  1.1658000000e-03  1.0182000000e-03  3.5826000000e-03  1.7447000000e-03 -2.2538000000e-03  1.5550000000e-03 -2.7404000000e-03 -2.7110000000e-04  5.0986000000e-03 -1.6037000000e-03 -4.5120000000e-04 -3.5438000000e-03 -1.9637000000e-03  1.0617000000e-03 -1.5591000000e-03  3.3973000000e-03
-
-JOB 70
-COORDS -1.4993650000e+00 -1.7079390000e+00 -5.6007300000e-01 -1.5361270000e+00 -1.4139910000e+00  3.5013400000e-01 -1.7235640000e+00 -9.3108600000e-01 -1.0723870000e+00  1.4686020000e+00  1.6009640000e+00  5.4866400000e-01  1.5162120000e+00  2.2248130000e+00 -1.7575200000e-01  2.1721090000e+00  1.8667070000e+00  1.1408560000e+00
-ENERGY -1.526546308519e+02
-FORCES  5.6600000000e-05  5.1223000000e-03  2.0880000000e-03 -6.9190000000e-04 -1.8097000000e-03 -3.6006000000e-03  3.4660000000e-04 -3.2921000000e-03  1.5540000000e-03  3.7520000000e-03  3.4744000000e-03 -6.2820000000e-04 -4.8670000000e-04 -2.5037000000e-03  3.0049000000e-03 -2.9766000000e-03 -9.9120000000e-04 -2.4181000000e-03
-
-JOB 71
-COORDS -1.7525140000e+00  1.1360340000e+00 -1.0133870000e+00 -1.5089150000e+00  1.6488310000e+00 -2.4271900000e-01 -2.5574680000e+00  1.5460670000e+00 -1.3298580000e+00  1.7552970000e+00 -1.1308120000e+00  9.7846700000e-01  2.2008640000e+00 -1.4646130000e+00  1.7571060000e+00  1.8073650000e+00 -1.8476920000e+00  3.4632500000e-01
-ENERGY -1.526541954705e+02
-FORCES -1.6185000000e-03  3.6421000000e-03  2.4277000000e-03 -1.6755000000e-03 -1.6052000000e-03 -3.4342000000e-03  3.2303000000e-03 -1.7396000000e-03  1.2155000000e-03  1.6825000000e-03 -4.5256000000e-03 -3.3800000000e-05 -1.8486000000e-03  1.4928000000e-03 -3.0862000000e-03  2.2980000000e-04  2.7353000000e-03  2.9110000000e-03
-
-JOB 72
-COORDS  4.6557200000e-01 -1.8384760000e+00 -1.4235020000e+00  1.3731990000e+00 -1.5384510000e+00 -1.3742090000e+00  4.9412000000e-01 -2.7421390000e+00 -1.1091630000e+00 -4.7374400000e-01  1.9231850000e+00  1.3887500000e+00 -1.0737740000e+00  1.5896590000e+00  7.2169900000e-01 -7.6031400000e-01  1.5043270000e+00  2.2003330000e+00
-ENERGY -1.526549644430e+02
-FORCES  4.3087000000e-03 -2.3395000000e-03  1.4159000000e-03 -3.7906000000e-03 -1.5696000000e-03 -3.8170000000e-04 -2.3360000000e-04  3.6874000000e-03 -1.2020000000e-03 -3.7215000000e-03 -3.5789000000e-03  4.0400000000e-05  2.2260000000e-03  2.0094000000e-03  3.1511000000e-03  1.2110000000e-03  1.7912000000e-03 -3.0236000000e-03
-
-JOB 73
-COORDS -6.2216600000e-01 -2.3334980000e+00  1.2685300000e-01  1.0803300000e-01 -1.7271920000e+00  2.6240000000e-03 -2.1504200000e-01 -3.1356660000e+00  4.5397500000e-01  5.8923700000e-01  2.3022530000e+00 -1.2189900000e-01  4.9219200000e-01  2.5982020000e+00 -1.0270110000e+00  7.1913000000e-02  2.9235680000e+00  3.9052100000e-01
-ENERGY -1.526551743805e+02
-FORCES  4.8163000000e-03  1.4700000000e-05  9.4440000000e-04 -3.0452000000e-03 -3.6120000000e-03  2.8810000000e-04 -1.6620000000e-03  3.0995000000e-03 -1.3054000000e-03 -2.9602000000e-03  4.1478000000e-03 -1.4548000000e-03  5.5180000000e-04 -1.2913000000e-03  3.7198000000e-03  2.2993000000e-03 -2.3586000000e-03 -2.1920000000e-03
-
-JOB 74
-COORDS  2.0553100000e+00  1.3725650000e+00  8.9202000000e-02  1.8795890000e+00  7.2829700000e-01 -5.9656200000e-01  1.9580180000e+00  8.8501200000e-01  9.0716100000e-01 -2.0276450000e+00 -1.2799300000e+00 -2.5220000000e-02 -1.3666440000e+00 -1.4959990000e+00 -6.8296300000e-01 -2.8633390000e+00 -1.4489450000e+00 -4.6028400000e-01
-ENERGY -1.526538861001e+02
-FORCES -1.6690000000e-03 -4.5008000000e-03  1.0233000000e-03  7.6350000000e-04  2.3656000000e-03  2.4298000000e-03  9.0010000000e-04  1.9728000000e-03 -3.5247000000e-03 -1.4608000000e-03 -1.4575000000e-03 -4.5867000000e-03 -2.0615000000e-03  1.0214000000e-03  2.8746000000e-03  3.5278000000e-03  5.9850000000e-04  1.7837000000e-03
-
-JOB 75
-COORDS -2.4656780000e+00  5.4780600000e-01 -1.6383200000e-01 -1.5282630000e+00  3.5694400000e-01 -1.3132200000e-01 -2.7377640000e+00  2.6625700000e-01 -1.0372910000e+00  2.4649780000e+00 -5.3275700000e-01  2.6903200000e-01  2.6379190000e+00  9.0741000000e-02 -4.3635700000e-01  1.6730670000e+00 -9.9405900000e-01 -7.2110000000e-03
-ENERGY -1.526532511485e+02
-FORCES  2.3569000000e-03 -1.6194000000e-03 -3.1484000000e-03 -3.6179000000e-03  3.0940000000e-04 -6.3210000000e-04  1.4179000000e-03  1.0980000000e-03  3.6559000000e-03 -1.5375000000e-03  3.3160000000e-04 -3.9268000000e-03 -1.1855000000e-03 -2.6889000000e-03  2.9888000000e-03  2.5661000000e-03  2.5694000000e-03  1.0626000000e-03
-
-JOB 76
-COORDS  1.5161600000e-01 -2.6616220000e+00 -2.4965500000e-01  3.7665500000e-01 -1.7581810000e+00 -2.7430000000e-02 -3.6416000000e-01 -2.9706180000e+00  4.9514600000e-01 -1.5176700000e-01  2.6257160000e+00  2.6417400000e-01  7.3259100000e-01  2.6621620000e+00 -1.0026400000e-01 -7.2753200000e-01  2.6518270000e+00 -5.0005400000e-01
-ENERGY -1.526548820749e+02
-FORCES -1.3283000000e-03  2.6234000000e-03  4.2920000000e-03 -6.4950000000e-04 -3.9727000000e-03 -1.3249000000e-03  2.0853000000e-03  1.0494000000e-03 -3.0833000000e-03  1.1009000000e-03  1.2176000000e-03 -4.7869000000e-03 -3.6887000000e-03 -5.9660000000e-04  1.6221000000e-03  2.4804000000e-03 -3.2110000000e-04  3.2811000000e-03
-
-JOB 77
-COORDS -9.5968000000e-01  2.1487710000e+00 -1.3589420000e+00 -1.9084140000e+00  2.0223070000e+00 -1.3708190000e+00 -6.3198100000e-01  1.4532680000e+00 -7.8874700000e-01  1.0143850000e+00 -2.0660830000e+00  1.2757730000e+00  1.4720180000e+00 -2.8145740000e+00  1.6586110000e+00  2.1065900000e-01 -1.9877200000e+00  1.7896950000e+00
-ENERGY -1.526544785600e+02
-FORCES -2.0103000000e-03 -3.6989000000e-03  2.1740000000e-03  3.7246000000e-03  5.5220000000e-04  1.3470000000e-04 -1.9550000000e-03  3.2839000000e-03 -2.2519000000e-03 -8.3770000000e-04 -3.2763000000e-03  3.8686000000e-03 -2.0115000000e-03  3.0629000000e-03 -1.4936000000e-03  3.0899000000e-03  7.6200000000e-05 -2.4317000000e-03
-
-JOB 78
-COORDS  9.7046000000e-01 -1.1710180000e+00  2.4798330000e+00  8.4402500000e-01 -6.3653900000e-01  1.6958820000e+00  9.9257800000e-01 -2.0713190000e+00  2.1554850000e+00 -9.2805200000e-01  1.2500490000e+00 -2.3974920000e+00 -1.1805480000e+00  5.4862700000e-01 -1.7970890000e+00 -1.2691130000e+00  9.7254000000e-01 -3.2477260000e+00
-ENERGY -1.526538756742e+02
-FORCES  2.7300000000e-05 -1.2907000000e-03 -4.3850000000e-03  9.3000000000e-05 -2.4915000000e-03  3.1347000000e-03 -2.8540000000e-04  3.7104000000e-03  1.2338000000e-03 -2.8504000000e-03 -3.7135000000e-03 -1.4477000000e-03  1.5599000000e-03  2.6982000000e-03 -2.1152000000e-03  1.4557000000e-03  1.0872000000e-03  3.5795000000e-03
-
-JOB 79
-COORDS  2.8271600000e+00  1.1302000000e-01  5.0251100000e-01  3.4634420000e+00  4.0639900000e-01 -1.4964400000e-01  2.3110970000e+00  8.9397300000e-01  7.0256900000e-01 -2.8066320000e+00 -1.2040200000e-01 -4.4648300000e-01 -2.6808000000e+00 -3.8445100000e-01 -1.3578980000e+00 -3.3925920000e+00 -7.8430000000e-01 -8.2998000000e-02
-ENERGY -1.526542966278e+02
-FORCES  3.6300000000e-05  4.4685000000e-03 -1.7280000000e-03 -2.5236000000e-03 -1.2527000000e-03  2.5768000000e-03  2.5514000000e-03 -3.1083000000e-03 -8.1190000000e-04 -1.6800000000e-03 -4.1196000000e-03 -2.1451000000e-03 -6.3720000000e-04  1.2332000000e-03  3.6333000000e-03  2.2531000000e-03  2.7790000000e-03 -1.5250000000e-03
-
-JOB 80
-COORDS  6.5046400000e-01 -2.2567510000e+00 -1.5763310000e+00  8.8602500000e-01 -1.9679540000e+00 -2.4579990000e+00  4.2082800000e-01 -3.1802380000e+00 -1.6796320000e+00 -6.7292000000e-01  2.3239050000e+00  1.6737200000e+00  2.1714200000e-01  2.2403410000e+00  1.3316110000e+00 -1.1936950000e+00  1.7273360000e+00  1.1360120000e+00
-ENERGY -1.526547938878e+02
-FORCES  1.4790000000e-04 -3.0551000000e-03 -4.0772000000e-03 -1.0264000000e-03 -1.0086000000e-03  3.7008000000e-03  9.3290000000e-04  3.8415000000e-03  3.4290000000e-04  1.6613000000e-03 -3.3544000000e-03 -3.6653000000e-03 -3.5405000000e-03  7.6280000000e-04  1.4454000000e-03  1.8248000000e-03  2.8137000000e-03  2.2534000000e-03
-
-JOB 81
-COORDS -2.7519930000e+00 -3.2950700000e-01  9.5254400000e-01 -3.1231590000e+00  5.1700600000e-01  7.0377800000e-01 -3.1762680000e+00 -5.4265500000e-01  1.7836820000e+00  2.8200020000e+00  3.0527300000e-01 -1.0423880000e+00  1.9453550000e+00 -3.7495000000e-02 -8.5871800000e-01  3.2066050000e+00  4.5156800000e-01 -1.7904200000e-01
-ENERGY -1.526547796245e+02
-FORCES -3.6970000000e-03  2.5193000000e-03  2.3686000000e-03  1.6625000000e-03 -3.4838000000e-03  1.0748000000e-03  1.8134000000e-03  9.2090000000e-04 -3.3890000000e-03 -2.3484000000e-03 -1.0027000000e-03  4.3264000000e-03  3.9544000000e-03  1.5437000000e-03 -9.0440000000e-04 -1.3848000000e-03 -4.9730000000e-04 -3.4764000000e-03
-
-JOB 82
-COORDS  2.2872600000e-01 -2.6048530000e+00  1.5787580000e+00 -4.7197100000e-01 -1.9576570000e+00  1.4988060000e+00  5.4182000000e-02 -3.2351130000e+00  8.7980200000e-01 -2.4528400000e-01  2.6247040000e+00 -1.5335650000e+00  4.2446000000e-02  1.7133460000e+00 -1.4800050000e+00  5.5364900000e-01  3.1180790000e+00 -1.7193580000e+00
-ENERGY -1.526542402496e+02
-FORCES -3.8463000000e-03 -2.0670000000e-04 -2.7668000000e-03  3.1166000000e-03 -2.5912000000e-03  5.1800000000e-05  8.2280000000e-04  2.7431000000e-03  2.7401000000e-03  4.7231000000e-03 -1.5028000000e-03 -5.4330000000e-04 -1.4923000000e-03  3.5670000000e-03 -1.8000000000e-04 -3.3238000000e-03 -2.0095000000e-03  6.9820000000e-04
-
-JOB 83
-COORDS -1.9439920000e+00  1.9910530000e+00  1.4110840000e+00 -2.7042930000e+00  1.4718130000e+00  1.6729310000e+00 -2.2637620000e+00  2.5410170000e+00  6.9587900000e-01  2.0033570000e+00 -1.9949600000e+00 -1.4468970000e+00  2.6414350000e+00 -1.5734200000e+00 -8.7123000000e-01  1.3504920000e+00 -2.3639870000e+00 -8.5207000000e-01
-ENERGY -1.526543632438e+02
-FORCES -4.4768000000e-03  3.1770000000e-04 -2.0087000000e-03  3.1743000000e-03  2.0083000000e-03 -1.0304000000e-03  1.2565000000e-03 -2.2431000000e-03  3.0197000000e-03 -1.9040000000e-04  5.5640000000e-04  4.9847000000e-03 -2.4214000000e-03 -1.8765000000e-03 -2.4385000000e-03  2.6579000000e-03  1.2372000000e-03 -2.5268000000e-03
-
-JOB 84
-COORDS  6.5233000000e-02  3.1355150000e+00  9.7674700000e-01  1.3247100000e-01  3.1174390000e+00  2.2082000000e-02 -8.7582700000e-01  3.1546840000e+00  1.1507290000e+00  3.0375000000e-02 -3.0889720000e+00 -9.1763900000e-01 -7.6735900000e-01 -3.3143550000e+00 -4.3904200000e-01  2.1442000000e-02 -3.6636040000e+00 -1.6831130000e+00
-ENERGY -1.526539768652e+02
-FORCES -3.4215000000e-03 -3.6970000000e-04 -3.3225000000e-03 -3.5290000000e-04  3.5330000000e-04  3.9074000000e-03  3.7538000000e-03  1.4800000000e-05 -6.3850000000e-04 -3.1751000000e-03 -3.3687000000e-03 -9.8720000000e-04  3.1865000000e-03  9.5440000000e-04 -2.0497000000e-03  9.1000000000e-06  2.4160000000e-03  3.0905000000e-03
-
-JOB 85
-COORDS  1.0295440000e+00 -1.1522040000e+00  3.0492970000e+00  5.1744700000e-01 -5.5691400000e-01  3.5966720000e+00  1.9236360000e+00 -1.0751580000e+00  3.3823070000e+00 -1.0368450000e+00  1.0578940000e+00 -3.1233880000e+00 -6.5962500000e-01  1.4807910000e+00 -2.3519640000e+00 -1.7070450000e+00  1.6693510000e+00 -3.4286500000e+00
-ENERGY -1.526539640501e+02
-FORCES  1.5899000000e-03  2.5247000000e-03  3.6631000000e-03  2.0884000000e-03 -2.3301000000e-03 -2.3194000000e-03 -3.6820000000e-03 -2.4310000000e-04 -1.3742000000e-03 -1.1221000000e-03  4.0173000000e-03  2.1075000000e-03 -1.5918000000e-03 -1.5082000000e-03 -3.2948000000e-03  2.7175000000e-03 -2.4607000000e-03  1.2178000000e-03
-
-JOB 86
-COORDS  1.0205600000e+00  1.5669830000e+00 -3.4100210000e+00  3.2050500000e-01  1.8474080000e+00 -3.9995260000e+00  1.8248600000e+00  1.8700610000e+00 -3.8313020000e+00 -1.0640200000e+00 -1.6570680000e+00  3.4767430000e+00 -1.3265620000e+00 -7.4139900000e-01  3.3826440000e+00 -1.0758900000e-01 -1.6370770000e+00  3.4439840000e+00
-ENERGY -1.526542178012e+02
-FORCES  3.8570000000e-04  2.3061000000e-03 -4.2381000000e-03  2.8741000000e-03 -1.1003000000e-03  2.4340000000e-03 -3.2692000000e-03 -1.2175000000e-03  1.7666000000e-03  2.8999000000e-03  3.8739000000e-03 -7.9980000000e-04  9.9560000000e-04 -3.7295000000e-03  5.4000000000e-04 -3.8862000000e-03 -1.3270000000e-04  2.9730000000e-04
-
-JOB 87
-COORDS -2.6081190000e+00 -2.0092430000e+00 -2.6606240000e+00 -2.6601860000e+00 -1.0542880000e+00 -2.6208550000e+00 -2.7224200000e+00 -2.2937880000e+00 -1.7538710000e+00  2.6188690000e+00  1.9764780000e+00  2.6752970000e+00  2.2086590000e+00  1.3307510000e+00  2.0999740000e+00  3.0132400000e+00  2.6129770000e+00  2.0789980000e+00
-ENERGY -1.526540290071e+02
-FORCES -8.8500000000e-04  2.6548000000e-03  3.8152000000e-03  3.4070000000e-04 -3.8812000000e-03 -1.2660000000e-04  5.7230000000e-04  1.2192000000e-03 -3.7023000000e-03  1.0720000000e-04 -4.0400000000e-05 -4.7721000000e-03  1.5409000000e-03  2.6478000000e-03  2.3521000000e-03 -1.6761000000e-03 -2.6002000000e-03  2.4336000000e-03
-
-JOB 88
-COORDS -3.1267980000e+00 -3.0547430000e+00 -1.8566640000e+00 -2.5770480000e+00 -2.4599010000e+00 -1.3465950000e+00 -3.5777100000e+00 -2.4877290000e+00 -2.4822870000e+00  3.0767900000e+00  3.0072630000e+00  1.8971980000e+00  3.9485210000e+00  3.3393600000e+00  1.6826570000e+00  3.0592220000e+00  2.1238530000e+00  1.5290800000e+00
-ENERGY -1.526540931242e+02
-FORCES  3.1180000000e-04  4.7707000000e-03 -4.3970000000e-04 -2.1681000000e-03 -2.4539000000e-03 -2.1015000000e-03  1.8686000000e-03 -2.3291000000e-03  2.5354000000e-03  3.5946000000e-03 -2.2174000000e-03 -2.3028000000e-03 -3.5842000000e-03 -1.3643000000e-03  8.5430000000e-04 -2.2700000000e-05  3.5940000000e-03  1.4542000000e-03
-
-JOB 89
-COORDS  3.8371630000e+00 -4.5361420000e+00 -3.9697100000e-01  4.6552830000e+00 -4.8551520000e+00 -1.5994000000e-02  3.8904600000e+00 -3.5837840000e+00 -3.1693400000e-01 -3.8466150000e+00  4.5116880000e+00  3.2371600000e-01 -3.6596810000e+00  4.1547430000e+00  1.1919770000e+00 -4.8017650000e+00  4.5609210000e+00  2.8502600000e-01
-ENERGY -1.526540913467e+02
-FORCES  3.5542000000e-03  2.6107000000e-03  1.8435000000e-03 -3.3395000000e-03  1.2914000000e-03 -1.5414000000e-03 -2.1210000000e-04 -3.9031000000e-03 -3.0070000000e-04 -3.1633000000e-03 -1.2786000000e-03  3.3674000000e-03 -7.4030000000e-04  1.4677000000e-03 -3.5347000000e-03  3.9009000000e-03 -1.8810000000e-04  1.6580000000e-04
-
-JOB 0
-COORDS -5.2300800000e-01 -1.0707060000e+00 -1.2271500000e-01  1.5199600000e-01 -3.9575400000e-01 -1.9371700000e-01 -1.8658400000e-01 -1.8019870000e+00 -6.4067000000e-01  5.2065400000e-01  1.0376090000e+00  1.6153000000e-01  2.3622700000e-01  1.5328910000e+00 -6.0660400000e-01 -1.6172700000e-01  1.1942450000e+00  8.1425800000e-01
-ENERGY -1.526497096547e+02
-FORCES  1.6432600000e-02  3.1412400000e-02  5.6567000000e-03 -5.9615000000e-03 -5.0596000000e-03 -2.1869000000e-03  3.1493000000e-03  6.7416000000e-03  2.5390000000e-04 -1.8485700000e-02 -2.7496700000e-02 -2.4884000000e-03  8.0240000000e-04 -5.3979000000e-03  3.4945000000e-03  4.0629000000e-03 -1.9970000000e-04 -4.7299000000e-03
-
-JOB 1
-COORDS  8.8200400000e-01  9.7125000000e-02  8.5958400000e-01  4.9760000000e-01  5.5778300000e-01  1.6054130000e+00  1.1319340000e+00 -7.5834600000e-01  1.2087770000e+00 -9.0147400000e-01 -5.6433000000e-02 -9.8212200000e-01 -9.9802000000e-02  2.5825000000e-01 -5.6435500000e-01 -1.2571520000e+00 -6.9743700000e-01 -3.6662300000e-01
-ENERGY -1.526543582850e+02
-FORCES -1.0655800000e-02 -3.1392000000e-03 -8.1731000000e-03  1.2011000000e-03 -3.6641000000e-03 -4.0235000000e-03 -2.7964000000e-03  4.4608000000e-03 -4.3570000000e-04  1.5490100000e-02 -1.0848000000e-03  1.8222400000e-02 -2.3208000000e-03  3.2798000000e-03 -4.3852000000e-03 -9.1820000000e-04  1.4750000000e-04 -1.2049000000e-03
-
-JOB 2
-COORDS  9.3361900000e-01  2.2884300000e-01  9.2192900000e-01  5.3920900000e-01  1.7692900000e-01  1.7925480000e+00  1.9644700000e-01  1.3536700000e-01  3.1854600000e-01 -8.4360500000e-01 -2.6618200000e-01 -8.9527600000e-01 -7.7686800000e-01 -2.6940700000e-01 -1.8501410000e+00 -1.3192760000e+00  5.3886700000e-01 -6.9066600000e-01
-ENERGY -1.526543076880e+02
-FORCES -1.1449800000e-02 -6.7838000000e-03 -1.3373200000e-02 -1.3389000000e-03  3.8420000000e-04 -4.3275000000e-03 -2.2210000000e-03  7.7980000000e-03  7.0919000000e-03  9.8386000000e-03  2.5895000000e-03  3.0286000000e-03 -2.3501000000e-03  7.8090000000e-04  4.9022000000e-03  7.5212000000e-03 -4.7687000000e-03  2.6781000000e-03
-
-JOB 3
-COORDS -8.9393200000e-01 -8.2504100000e-01  2.8359100000e-01 -3.7730800000e-01 -1.6228120000e+00  1.7004700000e-01 -1.3936710000e+00 -9.7493600000e-01  1.0861030000e+00  9.2757000000e-01  8.6838300000e-01 -3.8226500000e-01  9.8593600000e-01  1.6994440000e+00  8.9076000000e-02  2.5992300000e-01  3.7098600000e-01  9.0045000000e-02
-ENERGY -1.526577805923e+02
-FORCES  7.8070000000e-03  3.7704000000e-03 -2.1587000000e-03 -2.9257000000e-03  5.3905000000e-03  2.0625000000e-03  3.5932000000e-03  8.3660000000e-04 -4.1135000000e-03 -1.4824600000e-02 -1.0677300000e-02  5.6141000000e-03 -2.3403000000e-03 -3.4790000000e-03  1.8210000000e-04  8.6904000000e-03  4.1587000000e-03 -1.5866000000e-03
-
-JOB 4
-COORDS -8.9114600000e-01  4.1366300000e-01 -9.6160000000e-01 -1.5346800000e-01  3.2521600000e-01 -3.5807700000e-01 -7.2234800000e-01 -2.3623100000e-01 -1.6437860000e+00  8.2108200000e-01 -3.5526300000e-01  9.1198500000e-01  6.1448600000e-01 -1.1542910000e+00  1.3968610000e+00  1.4213520000e+00  1.2374700000e-01  1.4833480000e+00
-ENERGY -1.526590278599e+02
-FORCES  1.1603100000e-02 -5.8568000000e-03  1.0043100000e-02 -3.6207000000e-03  3.7049000000e-03 -5.8307000000e-03 -4.4300000000e-04  1.0245000000e-03  2.4509000000e-03 -7.2347000000e-03  2.3350000000e-04 -3.2294000000e-03  3.1768000000e-03  3.9315000000e-03 -1.1100000000e-03 -3.4816000000e-03 -3.0375000000e-03 -2.3238000000e-03
-
-JOB 5
-COORDS -8.3780800000e-01  3.9423900000e-01  1.0055320000e+00 -5.2512500000e-01  5.1599900000e-01  1.9019890000e+00 -5.5483000000e-02  4.9329500000e-01  4.6295600000e-01  8.2042100000e-01 -3.7146400000e-01 -9.8226300000e-01  3.4892000000e-02 -8.5236600000e-01 -7.2167000000e-01  8.5980300000e-01 -4.7341300000e-01 -1.9332030000e+00
-ENERGY -1.526596271857e+02
-FORCES  7.6834000000e-03  1.6568000000e-03 -3.5956000000e-03  1.5390000000e-04 -2.0030000000e-04 -3.8112000000e-03 -6.8791000000e-03 -6.2370000000e-03  3.4977000000e-03 -5.0206000000e-03 -7.9810000000e-04 -1.9800000000e-05  5.4140000000e-03  6.7888000000e-03 -3.5150000000e-04 -1.3516000000e-03 -1.2102000000e-03  4.2805000000e-03
-
-JOB 6
-COORDS  8.1987500000e-01 -1.4073700000e-01  9.9612100000e-01  1.6465090000e+00  3.0820600000e-01  1.1732030000e+00  4.1166900000e-01 -2.4004400000e-01  1.8562010000e+00 -8.4324200000e-01  8.1683000000e-02 -1.1147890000e+00 -1.3340810000e+00  8.8889500000e-01 -9.6078700000e-01 -3.8165300000e-01 -7.9227000000e-02 -2.9182100000e-01
-ENERGY -1.526589729846e+02
-FORCES -2.3070000000e-04  2.9296000000e-03 -4.4379000000e-03 -4.1901000000e-03 -2.5272000000e-03  1.6893000000e-03  1.4852000000e-03  1.6183000000e-03 -5.2310000000e-03  9.1473000000e-03  1.1395000000e-03  1.1738000000e-02  1.6851000000e-03 -2.2080000000e-03  4.4450000000e-04 -7.8967000000e-03 -9.5220000000e-04 -4.2029000000e-03
-
-JOB 7
-COORDS -6.7407200000e-01 -9.9178800000e-01 -7.8264900000e-01 -4.3331000000e-01 -1.2036600000e+00  1.1922500000e-01 -2.6432800000e-01 -1.4252100000e-01 -9.4723000000e-01  6.0776400000e-01  8.9307100000e-01  7.4143800000e-01  7.1115500000e-01  1.5524630000e+00  1.4275470000e+00  9.7890300000e-01  1.3007130000e+00 -4.1068000000e-02
-ENERGY -1.526537200395e+02
-FORCES  5.2278000000e-03  8.4004000000e-03  1.0866700000e-02 -2.1896000000e-03 -3.8210000000e-03 -2.8805000000e-03  2.3097000000e-03  1.3280000000e-03 -4.0380000000e-03 -1.9780000000e-04  1.7709000000e-03 -2.3130000000e-03 -4.3350000000e-04 -3.4836000000e-03 -3.3688000000e-03 -4.7166000000e-03 -4.1946000000e-03  1.7337000000e-03
-
-JOB 8
-COORDS  7.6871500000e-01  8.0381700000e-01 -8.9756900000e-01  2.1148200000e-01  5.4537300000e-01 -1.6345100000e-01  1.4357620000e+00  1.1897700000e-01 -9.4525700000e-01 -7.7231400000e-01 -7.9064200000e-01  8.0198400000e-01 -1.6797000000e-01 -6.6710900000e-01  1.5339260000e+00 -1.4451370000e+00 -1.2210700000e-01  9.3084000000e-01
-ENERGY -1.526551834814e+02
-FORCES -6.1153000000e-03 -1.2710500000e-02  6.6991000000e-03  2.1883000000e-03  8.3204000000e-03  9.7190000000e-04 -6.7310000000e-04  2.8698000000e-03  2.6310000000e-04 -9.2430000000e-04  1.3163000000e-03  1.6959000000e-03 -1.5488000000e-03  1.8027000000e-03 -7.1299000000e-03  7.0732000000e-03 -1.5986000000e-03 -2.5000000000e-03
-
-JOB 9
-COORDS  1.9863300000e-01  6.1487000000e-01 -1.1835990000e+00 -5.9987700000e-01  2.4667300000e-01 -1.5618120000e+00  8.6344900000e-01  4.9324800000e-01 -1.8614330000e+00 -1.5375800000e-01 -6.0866700000e-01  1.2907910000e+00 -1.1088890000e+00 -5.4977400000e-01  1.2687050000e+00  1.2627100000e-01 -2.8938900000e-01  4.3295800000e-01
-ENERGY -1.526590925925e+02
-FORCES -2.9270000000e-04 -1.9481000000e-03 -2.0065000000e-03  4.4568000000e-03  7.9860000000e-04  4.0358000000e-03 -4.1590000000e-03  3.3280000000e-04  3.1775000000e-03  6.9330000000e-04  7.3040000000e-03 -1.1197800000e-02  2.5516000000e-03 -4.0890000000e-04 -1.1740000000e-03 -3.2500000000e-03 -6.0783000000e-03  7.1650000000e-03
-
-JOB 10
-COORDS  1.6085000000e-01 -5.7509600000e-01 -1.2673600000e+00  4.5389100000e-01 -1.4746310000e+00 -1.1217700000e+00  9.6661300000e-01 -5.8454000000e-02 -1.2749100000e+00 -1.6337600000e-01  5.8129800000e-01  1.2870290000e+00 -5.5866700000e-01  2.0131800000e-01  5.0243300000e-01 -7.8687900000e-01  1.2501780000e+00  1.5700040000e+00
-ENERGY -1.526609303823e+02
-FORCES  6.7757000000e-03 -6.2000000000e-05  2.3664000000e-03 -1.4187000000e-03  4.3455000000e-03 -3.6420000000e-04 -4.0577000000e-03 -3.0627000000e-03 -1.0039000000e-03 -2.6180000000e-03 -2.9121000000e-03 -7.4640000000e-03 -5.3750000000e-04  4.2776000000e-03  9.0867000000e-03  1.8563000000e-03 -2.5863000000e-03 -2.6210000000e-03
-
-JOB 11
-COORDS -8.4375600000e-01  8.1030400000e-01 -6.7739400000e-01 -1.2693580000e+00  1.6412330000e+00 -4.6608700000e-01 -8.6596800000e-01  7.6555600000e-01 -1.6332900000e+00  9.0416000000e-01 -8.6456900000e-01  7.7860500000e-01  3.8555500000e-01 -9.9645000000e-02  5.2926300000e-01  8.4439600000e-01 -1.4511860000e+00  2.4588000000e-02
-ENERGY -1.526595276073e+02
-FORCES  5.9870000000e-04  1.7070000000e-04 -2.1058000000e-03  2.3735000000e-03 -4.0384000000e-03 -1.4472000000e-03 -6.8680000000e-04  6.0520000000e-04  4.4799000000e-03 -8.2512000000e-03  5.4237000000e-03 -8.6172000000e-03  4.8015000000e-03 -2.7987000000e-03  5.8429000000e-03  1.1643000000e-03  6.3740000000e-04  1.8473000000e-03
-
-JOB 12
-COORDS -1.0376820000e+00 -6.1122000000e-01  7.7430600000e-01 -6.1499800000e-01  9.4246000000e-02  2.8452200000e-01 -1.8168700000e+00 -2.0583500000e-01  1.1547800000e+00  1.0154650000e+00  5.5869000000e-01 -7.2101700000e-01  1.4373390000e+00 -2.4945100000e-01 -1.0128430000e+00  1.3594210000e+00  1.2337460000e+00 -1.3060170000e+00
-ENERGY -1.526609236497e+02
-FORCES  4.5298000000e-03  6.0462000000e-03 -3.8268000000e-03 -7.2473000000e-03 -4.4774000000e-03  4.9649000000e-03  3.0954000000e-03 -3.8800000000e-05 -1.9583000000e-03  1.7125000000e-03 -3.0788000000e-03 -1.7005000000e-03 -1.1046000000e-03  5.1107000000e-03  2.1000000000e-04 -9.8570000000e-04 -3.5619000000e-03  2.3106000000e-03
-
-JOB 13
-COORDS  6.5694400000e-01 -6.4909900000e-01  1.1576600000e+00 -1.5200900000e-01 -2.1186100000e-01  8.9186200000e-01  1.2437840000e+00 -5.4397700000e-01  4.0879500000e-01 -6.3817000000e-01  5.9554000000e-01 -1.0381210000e+00 -4.2828100000e-01  1.8591000000e-01 -1.8773960000e+00 -1.0257190000e+00  1.4387080000e+00 -1.2728630000e+00
-ENERGY -1.526584664281e+02
-FORCES -4.2694000000e-03  6.4298000000e-03 -1.0557100000e-02  1.1748000000e-03 -2.2963000000e-03  6.0373000000e-03  9.5680000000e-04 -2.3896000000e-03  2.2863000000e-03  4.2660000000e-04 -2.2220000000e-04 -2.6073000000e-03 -1.7660000000e-04  2.7358000000e-03  3.8389000000e-03  1.8877000000e-03 -4.2576000000e-03  1.0018000000e-03
-
-JOB 14
-COORDS -9.7058000000e-01 -5.6357300000e-01  9.2411100000e-01 -3.8825200000e-01 -4.4967800000e-01  1.7300900000e-01 -1.6452990000e+00 -1.1681680000e+00  6.1516100000e-01  9.4323900000e-01  5.6242700000e-01 -8.3465300000e-01  1.0286850000e+00  5.2933300000e-01 -1.7874570000e+00  1.5762720000e+00  1.2257310000e+00 -5.5982800000e-01
-ENERGY -1.526601887717e+02
-FORCES  5.1851000000e-03  2.4602000000e-03 -6.7343000000e-03 -7.0242000000e-03 -5.3596000000e-03  4.6043000000e-03  2.8580000000e-03  2.2274000000e-03 -3.8980000000e-04  1.4330000000e-03  3.1316000000e-03  1.3545000000e-03 -4.2810000000e-04  2.0020000000e-04  4.5056000000e-03 -2.0238000000e-03 -2.6597000000e-03 -3.3403000000e-03
-
-JOB 15
-COORDS  5.6356800000e-01  7.3777700000e-01 -1.0347860000e+00  1.0904840000e+00  9.7599800000e-01 -1.7975730000e+00  9.5811300000e-01  1.2224100000e+00 -3.0973700000e-01 -6.4944700000e-01 -7.2237300000e-01  1.0658040000e+00 -3.1385100000e-01 -7.8320600000e-01  1.7142900000e-01 -3.3285200000e-01 -1.5169600000e+00  1.4954910000e+00
-ENERGY -1.526601800117e+02
-FORCES  2.2652000000e-03  3.7769000000e-03  2.0642000000e-03 -1.7983000000e-03 -6.2390000000e-04  4.0215000000e-03 -3.4920000000e-04 -2.0756000000e-03 -5.1904000000e-03  2.8245000000e-03 -8.1140000000e-04 -6.3674000000e-03 -2.5902000000e-03 -3.3652000000e-03  7.6960000000e-03 -3.5200000000e-04  3.0991000000e-03 -2.2240000000e-03
-
-JOB 16
-COORDS -1.0163130000e+00  2.6220600000e-01 -9.7891300000e-01 -5.6965500000e-01  2.0043300000e-01 -1.8232540000e+00 -9.2735300000e-01  1.1813770000e+00 -7.2703400000e-01  9.5850200000e-01 -2.8167900000e-01  1.0544000000e+00  6.4607500000e-01 -9.4492000000e-01  4.3898700000e-01  1.8723300000e+00 -1.3771100000e-01  8.0859000000e-01
-ENERGY -1.526544805598e+02
-FORCES  4.4880000000e-03  5.8944000000e-03  2.4332000000e-03 -5.4760000000e-04 -9.5710000000e-04  4.3499000000e-03 -1.8247000000e-03 -2.9623000000e-03 -3.3626000000e-03 -3.0041000000e-03 -2.1313000000e-03 -7.0401000000e-03  4.9661000000e-03 -6.2600000000e-05  3.7101000000e-03 -4.0776000000e-03  2.1880000000e-04 -9.0500000000e-05
-
-JOB 17
-COORDS -8.6163000000e-01  1.0156730000e+00 -6.2233400000e-01 -6.4184700000e-01  4.9601700000e-01  1.5089600000e-01 -6.9543100000e-01  1.9206500000e+00 -3.5846300000e-01  8.1067200000e-01 -1.0814200000e+00  5.2488300000e-01  1.2586460000e+00 -2.6246000000e-01  3.1309000000e-01  8.8993100000e-01 -1.1594040000e+00  1.4756030000e+00
-ENERGY -1.526560841328e+02
-FORCES  4.7240000000e-04 -3.8156000000e-03  4.7472000000e-03  2.0990000000e-04  7.9583000000e-03 -2.6128000000e-03  1.1919000000e-03 -4.7085000000e-03 -2.9610000000e-04  5.2745000000e-03  1.1100000000e-03 -3.7850000000e-04 -5.1225000000e-03 -2.7315000000e-03  3.5227000000e-03 -2.0261000000e-03  2.1874000000e-03 -4.9826000000e-03
-
-JOB 18
-COORDS  1.1460930000e+00 -1.1883500000e-01  9.1144200000e-01  1.4974890000e+00 -9.5462500000e-01  1.2183750000e+00  5.1009700000e-01 -3.5886000000e-01  2.3755100000e-01 -1.0813840000e+00  1.7966100000e-01 -8.5107500000e-01 -1.7017860000e+00 -4.9687800000e-01 -1.1224210000e+00 -1.3573830000e+00  9.6309600000e-01 -1.3267720000e+00
-ENERGY -1.526595987431e+02
-FORCES -6.0631000000e-03 -8.4480000000e-04 -5.1070000000e-03 -2.4271000000e-03  2.2972000000e-03 -1.8640000000e-03  7.3211000000e-03 -3.4751000000e-03  5.6339000000e-03 -1.7680000000e-03  3.4597000000e-03 -1.3836000000e-03  3.4375000000e-03  2.9196000000e-03  1.3522000000e-03 -5.0040000000e-04 -4.3566000000e-03  1.3685000000e-03
-
-JOB 19
-COORDS  3.4591900000e-01  7.7649200000e-01 -1.2227970000e+00  1.7887800000e-01  5.0820000000e-02 -6.2135800000e-01  1.2141910000e+00  5.9503600000e-01 -1.5825290000e+00 -4.3638900000e-01 -6.8902400000e-01  1.1668570000e+00 -2.4050200000e-01 -1.6201600000e+00  1.2710030000e+00  1.8201900000e-01 -2.4714300000e-01  1.7487030000e+00
-ENERGY -1.526600516018e+02
-FORCES -1.4143000000e-03 -6.1734000000e-03  5.7607000000e-03  5.0868000000e-03  4.7579000000e-03 -8.4157000000e-03 -2.8754000000e-03 -1.6340000000e-04  2.4763000000e-03  1.5303000000e-03 -2.9470000000e-04  5.5974000000e-03  1.3180000000e-04  5.2019000000e-03 -1.6733000000e-03 -2.4592000000e-03 -3.3284000000e-03 -3.7453000000e-03
-
-JOB 20
-COORDS  1.2374920000e+00  5.8174900000e-01 -5.0455400000e-01  1.0273880000e+00  4.7908400000e-01 -1.4327500000e+00  8.2136300000e-01  1.4065790000e+00 -2.5410700000e-01 -1.2127510000e+00 -5.8465400000e-01  4.8788900000e-01 -1.8409640000e+00 -1.1752020000e+00  9.0362000000e-01 -4.2435300000e-01 -6.5547800000e-01  1.0260760000e+00
-ENERGY -1.526567109410e+02
-FORCES -7.1161000000e-03  1.3154000000e-03 -4.0711000000e-03  2.4545000000e-03  1.3617000000e-03  2.8859000000e-03  2.8207000000e-03 -3.0850000000e-03 -1.6020000000e-04  4.7989000000e-03 -1.6205000000e-03  2.4914000000e-03  3.4660000000e-03  2.3038000000e-03 -2.1040000000e-03 -6.4240000000e-03 -2.7540000000e-04  9.5800000000e-04
-
-JOB 21
-COORDS  1.3471500000e-01 -1.5017110000e+00  2.6974800000e-01  6.9300000000e-03 -5.9057600000e-01  5.3382500000e-01  2.4433300000e-01 -1.4630830000e+00 -6.8036900000e-01 -1.0274400000e-01  1.4129630000e+00 -2.8264400000e-01 -9.6777400000e-01  1.8221910000e+00 -3.0470000000e-01  2.0488900000e-01  1.5501930000e+00  6.1332600000e-01
-ENERGY -1.526571185719e+02
-FORCES -9.0890000000e-04  9.7929000000e-03 -6.6951000000e-03  1.5880000000e-03 -3.3058000000e-03  5.9885000000e-03 -1.2150000000e-04 -3.0352000000e-03  2.6886000000e-03 -2.3470000000e-03  3.9328000000e-03  1.8527000000e-03  4.4755000000e-03 -2.2517000000e-03  4.1050000000e-04 -2.6861000000e-03 -5.1330000000e-03 -4.2452000000e-03
-
-JOB 22
-COORDS  1.2320100000e+00  7.2523600000e-01  2.4972600000e-01  1.0836720000e+00  1.6707870000e+00  2.6241400000e-01  1.8771390000e+00  5.9282000000e-01 -4.4490200000e-01 -1.3304700000e+00 -8.0045100000e-01 -2.1043500000e-01 -7.2618200000e-01 -6.3513600000e-01 -9.3413300000e-01 -8.7681200000e-01 -4.6441500000e-01  5.6255000000e-01
-ENERGY -1.526581008090e+02
-FORCES  2.4348000000e-03  3.3123000000e-03 -2.4565000000e-03  4.7040000000e-04 -4.7265000000e-03 -1.8450000000e-04 -3.9134000000e-03  6.4800000000e-04  2.4159000000e-03  9.9483000000e-03  4.8868000000e-03  1.4203000000e-03 -3.3266000000e-03 -1.9818000000e-03 -9.2230000000e-04 -5.6135000000e-03 -2.1387000000e-03 -2.7290000000e-04
-
-JOB 23
-COORDS -1.2721730000e+00  3.1060600000e-01 -6.1936200000e-01 -2.2186410000e+00  2.5740900000e-01 -7.5203100000e-01 -9.0154300000e-01  2.2531400000e-01 -1.4977640000e+00  1.3370990000e+00 -3.3902500000e-01  7.1261800000e-01  1.4861110000e+00 -7.1064000000e-02 -1.9414800000e-01  5.1867100000e-01  9.2003000000e-02  9.5883200000e-01
-ENERGY -1.526568587535e+02
-FORCES -2.2538000000e-03 -1.8755000000e-03 -4.2403000000e-03  4.3116000000e-03  3.0800000000e-05  2.6830000000e-04 -7.1370000000e-04  9.5580000000e-04  4.0642000000e-03 -7.9768000000e-03  3.4274000000e-03 -4.2302000000e-03  6.0990000000e-04 -1.3022000000e-03  1.6220000000e-03  6.0229000000e-03 -1.2363000000e-03  2.5158000000e-03
-
-JOB 24
-COORDS  5.2265600000e-01 -6.3353900000e-01  1.2937700000e+00 -7.3880000000e-03 -5.7335000000e-01  2.0885420000e+00  4.3720000000e-02 -1.1637800000e-01  6.4616200000e-01 -4.5603000000e-01  5.6426600000e-01 -1.2456350000e+00  2.8000000000e-03  3.1628500000e-01 -2.0482630000e+00 -9.0451400000e-01  1.3801680000e+00 -1.4678930000e+00
-ENERGY -1.526610516914e+02
-FORCES -4.5765000000e-03  3.5407000000e-03 -4.6738000000e-03  1.2468000000e-03  4.7070000000e-04 -3.0827000000e-03  2.6788000000e-03 -3.5766000000e-03  9.2086000000e-03  1.5849000000e-03  9.8680000000e-04 -4.7803000000e-03 -3.0016000000e-03  2.3637000000e-03  2.6458000000e-03  2.0675000000e-03 -3.7852000000e-03  6.8240000000e-04
-
-JOB 25
-COORDS  1.1897460000e+00 -8.3854600000e-01  1.8611000000e-01  2.0188620000e+00 -1.3104860000e+00  2.6402600000e-01  5.2404000000e-01 -1.4806090000e+00  4.3273400000e-01 -1.2113800000e+00  9.6210700000e-01 -1.9746100000e-01 -3.4081700000e-01  5.8682500000e-01 -3.2980400000e-01 -1.7989380000e+00  2.0657100000e-01 -1.8425500000e-01
-ENERGY -1.526582487441e+02
-FORCES  2.6755000000e-03 -4.1732000000e-03  2.0852000000e-03 -4.2550000000e-03  1.0226000000e-03  3.8520000000e-04  2.0986000000e-03  3.8183000000e-03 -2.4692000000e-03  5.1044000000e-03 -4.7701000000e-03 -4.7270000000e-04 -8.1016000000e-03  2.3284000000e-03 -1.3670000000e-04  2.4781000000e-03  1.7741000000e-03  6.0830000000e-04
-
-JOB 26
-COORDS -1.1095560000e+00 -6.3069500000e-01 -6.9606500000e-01 -2.0076680000e+00 -6.5067900000e-01 -1.0265620000e+00 -6.9696800000e-01 -1.4067150000e+00 -1.0752700000e+00  1.1747730000e+00  7.2223900000e-01  7.6433700000e-01  1.4757220000e+00  1.1973000000e-02  1.9760600000e-01  2.2814800000e-01  5.9479400000e-01  8.2671200000e-01
-ENERGY -1.526577748002e+02
-FORCES -2.0706000000e-03 -2.9773000000e-03 -3.5877000000e-03  4.1557000000e-03 -2.3240000000e-04  1.3608000000e-03 -1.1603000000e-03  3.8047000000e-03  1.9071000000e-03 -6.9695000000e-03 -4.8085000000e-03 -5.1583000000e-03  1.0655000000e-03  1.3984000000e-03  1.8538000000e-03  4.9792000000e-03  2.8151000000e-03  3.6243000000e-03
-
-JOB 27
-COORDS  6.4308100000e-01 -1.3525460000e+00 -1.0262300000e-01  6.5306200000e-01 -1.4349890000e+00  8.5096700000e-01  1.5634620000e+00 -1.4133970000e+00 -3.5841300000e-01 -7.6584800000e-01  1.3428880000e+00  5.0853000000e-02 -4.6451000000e-01  2.2074230000e+00  3.3015000000e-01  3.6757000000e-02  8.3315900000e-01 -5.9754000000e-02
-ENERGY -1.526581566145e+02
-FORCES  2.3303000000e-03 -5.2401000000e-03  3.2755000000e-03  9.2460000000e-04  1.6574000000e-03 -5.0920000000e-03 -4.6528000000e-03  2.0601000000e-03  1.4967000000e-03  4.6642000000e-03 -2.8717000000e-03 -1.2429000000e-03 -2.2270000000e-04 -4.0684000000e-03 -8.5820000000e-04 -3.0436000000e-03  8.4627000000e-03  2.4210000000e-03
-
-JOB 28
-COORDS -2.6814000000e-02  5.1780100000e-01 -1.3899590000e+00 -1.6279800000e-01  3.8196200000e-01 -2.3276620000e+00  4.3429900000e-01  1.3546840000e+00 -1.3330860000e+00 -2.0321000000e-02 -6.1230000000e-01  1.4318630000e+00  5.9786200000e-01 -3.5188800000e-01  2.1147010000e+00 -7.3425000000e-02  1.4847700000e-01  8.5339000000e-01
-ENERGY -1.526560648020e+02
-FORCES  6.6050000000e-04  1.2050000000e-04 -5.8211000000e-03  1.2495000000e-03  1.4579000000e-03  3.6494000000e-03 -2.4560000000e-03 -4.2296000000e-03  2.0745000000e-03  1.2735000000e-03  3.6245000000e-03 -4.0325000000e-03 -2.0437000000e-03 -4.3490000000e-04 -3.2316000000e-03  1.3162000000e-03 -5.3850000000e-04  7.3613000000e-03
-
-JOB 29
-COORDS -5.8488400000e-01  3.4307900000e-01  1.3592410000e+00 -1.2192300000e+00 -3.7306800000e-01  1.3280810000e+00 -1.1067330000e+00  1.1323780000e+00  1.2146310000e+00  6.2157800000e-01 -3.5000300000e-01 -1.3912480000e+00  4.0351900000e-01 -4.5538000000e-02 -5.1034900000e-01  1.5467880000e+00 -5.8999400000e-01 -1.3400470000e+00
-ENERGY -1.526617255827e+02
-FORCES -6.8539000000e-03  4.9620000000e-04  2.2549000000e-03  3.5100000000e-03  3.9643000000e-03 -3.6680000000e-04  2.7222000000e-03 -4.2672000000e-03  1.5460000000e-04  1.1292000000e-03  1.6268000000e-03  7.6485000000e-03  2.6340000000e-03 -2.5934000000e-03 -9.8192000000e-03 -3.1416000000e-03  7.7340000000e-04  1.2790000000e-04
-
-JOB 30
-COORDS -3.5526500000e-01 -1.4754630000e+00  5.0802400000e-01 -2.5398400000e-01 -9.6714200000e-01  1.3127510000e+00 -1.3904200000e-01 -8.6063000000e-01 -1.9301800000e-01  3.5422000000e-01  1.3492980000e+00 -5.0049900000e-01  4.2097400000e-01  1.8099060000e+00 -1.3369300000e+00 -3.7820000000e-02  1.9882500000e+00  9.4712000000e-02
-ENERGY -1.526593268440e+02
-FORCES  3.0249000000e-03  9.0120000000e-03 -1.2337000000e-03 -1.1723000000e-03 -2.2755000000e-03 -1.1446000000e-03 -1.9826000000e-03 -7.3150000000e-03  1.6472000000e-03 -1.3403000000e-03  5.4628000000e-03 -6.3890000000e-04 -5.9540000000e-04 -1.9953000000e-03  3.9708000000e-03  2.0657000000e-03 -2.8889000000e-03 -2.6007000000e-03
-
-JOB 31
-COORDS -5.1511600000e-01  4.4195300000e-01 -1.4493040000e+00 -3.7580400000e-01  1.3088260000e+00 -1.0680470000e+00 -1.0304500000e-01 -1.6128200000e-01 -8.3080800000e-01  5.0052100000e-01 -4.0397300000e-01  1.3470780000e+00 -2.1258000000e-01 -4.2301900000e-01  1.9853230000e+00  9.3238800000e-01 -1.2526550000e+00  1.4443540000e+00
-ENERGY -1.526598548930e+02
-FORCES  4.2011000000e-03  4.0590000000e-04  9.0109000000e-03 -1.4911000000e-03 -1.6776000000e-03 -2.4975000000e-03 -2.2600000000e-03  2.1010000000e-04 -7.6413000000e-03 -1.5393000000e-03 -2.7515000000e-03  5.2777000000e-03  3.8241000000e-03 -1.0670000000e-04 -2.7006000000e-03 -2.7348000000e-03  3.9198000000e-03 -1.4492000000e-03
-
-JOB 32
-COORDS -7.6700400000e-01  3.6191800000e-01  1.2828350000e+00  9.8424000000e-02 -2.8999000000e-02  1.4030440000e+00 -1.3460620000e+00 -1.6223800000e-01  1.8361740000e+00  8.2237700000e-01 -3.1270000000e-01 -1.3045680000e+00  8.7114000000e-02 -5.1363700000e-01 -7.2556600000e-01  4.1400300000e-01 -6.8053000000e-02 -2.1349960000e+00
-ENERGY -1.526577972395e+02
-FORCES  2.0519000000e-03 -7.8490000000e-04  5.9233000000e-03 -6.0410000000e-03 -1.1470000000e-04 -2.8737000000e-03  2.8741000000e-03  2.0484000000e-03 -3.3179000000e-03 -7.0916000000e-03  2.4982000000e-03  1.2600000000e-05  6.6605000000e-03 -2.3377000000e-03 -2.4310000000e-03  1.5461000000e-03 -1.3093000000e-03  2.6866000000e-03
-
-JOB 33
-COORDS -1.1324750000e+00 -8.8410000000e-02 -1.0383880000e+00 -1.5080070000e+00 -4.9297500000e-01 -1.8203950000e+00 -1.9102900000e-01 -6.3628000000e-02 -1.2095540000e+00  1.0469620000e+00  1.2040800000e-01  1.1458590000e+00  1.2700640000e+00 -6.9577200000e-01  6.9830000000e-01  1.6300130000e+00  7.7346900000e-01  7.5882700000e-01
-ENERGY -1.526518595964e+02
-FORCES  3.0555000000e-03 -1.0100000000e-04 -2.0028000000e-03  2.0737000000e-03  1.4939000000e-03  4.0883000000e-03 -2.8772000000e-03 -1.3531000000e-03 -1.2414000000e-03  1.9637000000e-03 -1.1800000000e-03 -1.1920000000e-03 -8.5890000000e-04  4.4866000000e-03  6.9300000000e-05 -3.3567000000e-03 -3.3464000000e-03  2.7860000000e-04
-
-JOB 34
-COORDS  2.6279000000e-02  1.3641540000e+00  6.5056100000e-01  7.1810300000e-01  1.9530720000e+00  3.4925200000e-01 -7.7326500000e-01  1.8881080000e+00  6.0123700000e-01  3.4660000000e-02 -1.4704570000e+00 -6.3904100000e-01 -3.2506000000e-02 -6.7395100000e-01 -1.1244900000e-01 -8.3996200000e-01 -1.5873750000e+00 -1.0099830000e+00
-ENERGY -1.526608015417e+02
-FORCES  7.3710000000e-04  6.1953000000e-03 -1.3465000000e-03 -3.8732000000e-03 -1.9039000000e-03  1.7186000000e-03  3.7208000000e-03 -2.4697000000e-03 -1.8710000000e-04 -2.8615000000e-03  6.6832000000e-03  2.7259000000e-03 -3.6230000000e-04 -9.1044000000e-03 -4.1059000000e-03  2.6390000000e-03  5.9960000000e-04  1.1949000000e-03
-
-JOB 35
-COORDS  8.6397100000e-01 -4.5014700000e-01 -1.1871620000e+00  1.7465710000e+00 -6.7465300000e-01 -1.4818590000e+00  5.3427900000e-01 -1.2529890000e+00 -7.8345400000e-01 -9.0504400000e-01  4.8942500000e-01  1.2474370000e+00 -8.0064000000e-02  7.0540700000e-01  8.1270700000e-01 -1.5543280000e+00  4.9023500000e-01  5.4411500000e-01
-ENERGY -1.526593603246e+02
-FORCES  2.3743000000e-03 -5.5659000000e-03 -6.7620000000e-04 -3.9087000000e-03  6.4730000000e-04  1.7068000000e-03  1.8576000000e-03  4.1539000000e-03 -2.5123000000e-03  2.4551000000e-03  2.0810000000e-03 -7.1786000000e-03 -4.2308000000e-03 -3.6130000000e-04  5.3193000000e-03  1.4524000000e-03 -9.5490000000e-04  3.3410000000e-03
-
-JOB 36
-COORDS  1.2427920000e+00  9.4578100000e-01  4.1034700000e-01  1.0103390000e+00  1.7384730000e+00 -7.3220000000e-02  6.0911800000e-01  2.9113600000e-01  1.1687000000e-01 -1.1332610000e+00 -9.4132300000e-01 -3.3671300000e-01 -1.3990550000e+00 -1.6972950000e+00 -8.6025200000e-01 -1.9086020000e+00 -3.8045600000e-01 -3.1418000000e-01
-ENERGY -1.526604456208e+02
-FORCES -5.4662000000e-03 -2.9459000000e-03 -3.8470000000e-03  3.5360000000e-04 -2.4167000000e-03  1.7698000000e-03  6.2288000000e-03  6.8368000000e-03  2.4902000000e-03 -5.0119000000e-03 -2.7816000000e-03 -2.0351000000e-03 -8.1800000000e-05  3.6942000000e-03  2.4193000000e-03  3.9774000000e-03 -2.3868000000e-03 -7.9720000000e-04
-
-JOB 37
-COORDS -1.4771090000e+00 -1.4876200000e-01 -6.8471700000e-01 -1.0513280000e+00  6.1710600000e-01 -1.0699290000e+00 -1.1100660000e+00 -2.0915300000e-01  1.9724900000e-01  1.3901990000e+00  7.2455000000e-02  6.5057600000e-01  1.7355010000e+00  4.3797500000e-01  1.4650650000e+00  1.9180380000e+00  4.7804800000e-01 -3.7256000000e-02
-ENERGY -1.526573006992e+02
-FORCES  7.5384000000e-03  2.4762000000e-03  4.0173000000e-03 -2.2115000000e-03 -1.9815000000e-03 -3.7060000000e-04 -5.8960000000e-03 -9.8300000000e-05 -2.6565000000e-03  5.4678000000e-03  2.2090000000e-03 -4.7740000000e-04 -2.2170000000e-03 -1.5557000000e-03 -3.8054000000e-03 -2.6817000000e-03 -1.0498000000e-03  3.2924000000e-03
-
-JOB 38
-COORDS  6.4018000000e-01 -1.4479650000e+00  2.3138500000e-01  1.1775300000e+00 -1.3466710000e+00 -5.5425200000e-01  1.2720490000e+00 -1.5165240000e+00  9.4711800000e-01 -6.9133500000e-01  1.4652800000e+00 -2.9363200000e-01 -2.9868600000e-01  7.3466600000e-01  1.8413500000e-01 -1.2475750000e+00  1.9024020000e+00  3.5115800000e-01
-ENERGY -1.526596556608e+02
-FORCES  5.9960000000e-03 -3.8094000000e-03 -1.8638000000e-03 -2.4241000000e-03 -7.5800000000e-05  4.5948000000e-03 -3.3228000000e-03  1.3187000000e-03 -3.2400000000e-03 -3.3470000000e-04 -4.4612000000e-03  4.3558000000e-03 -2.1457000000e-03  8.7824000000e-03 -1.9116000000e-03  2.2312000000e-03 -1.7548000000e-03 -1.9352000000e-03
-
-JOB 39
-COORDS -2.2838800000e-01  9.6918200000e-01 -1.2937300000e+00  3.6423500000e-01  1.3459780000e+00 -6.4330400000e-01 -2.4421700000e-01  1.6105960000e+00 -2.0040600000e+00  2.0443600000e-01 -1.0256520000e+00  1.3646780000e+00 -4.3529300000e-01 -5.3115500000e-01  8.5237700000e-01  6.5969500000e-01 -1.5682620000e+00  7.2082600000e-01
-ENERGY -1.526583727236e+02
-FORCES  2.4195000000e-03  5.4010000000e-03 -1.8880000000e-03 -3.8375000000e-03 -2.2501000000e-03 -3.0009000000e-03  7.1890000000e-04 -2.4570000000e-03  3.1571000000e-03 -2.2466000000e-03 -1.2405000000e-03 -6.3413000000e-03  3.8791000000e-03 -1.2706000000e-03  4.6850000000e-03 -9.3350000000e-04  1.8171000000e-03  3.3881000000e-03
-
-JOB 40
-COORDS  1.0919810000e+00 -1.7019200000e-01  1.2649060000e+00  8.2143200000e-01 -4.2318800000e-01  2.1475320000e+00  7.0141100000e-01  6.9361400000e-01  1.1325220000e+00 -1.1306700000e+00  1.4613000000e-01 -1.3060060000e+00 -6.3920400000e-01 -5.3264500000e-01 -8.4344900000e-01 -4.5876500000e-01  7.0436900000e-01 -1.6973420000e+00
-ENERGY -1.526580058357e+02
-FORCES -2.2942000000e-03  3.3423000000e-03  5.0041000000e-03  1.1281000000e-03  1.1226000000e-03 -3.8430000000e-03  2.4771000000e-03 -4.2792000000e-03 -7.8800000000e-05  5.7943000000e-03 -2.4370000000e-03  2.0700000000e-04 -4.1981000000e-03  3.4764000000e-03 -3.4613000000e-03 -2.9072000000e-03 -1.2251000000e-03  2.1720000000e-03
-
-JOB 41
-COORDS -1.2691230000e+00  1.1960470000e+00  1.1227400000e-01 -6.2054400000e-01  6.2593100000e-01 -3.0069600000e-01 -1.6172550000e+00  6.7750700000e-01  8.3763700000e-01  1.1940470000e+00 -1.1530410000e+00 -1.5437100000e-01  1.2920400000e+00 -5.3827200000e-01  5.7273800000e-01  2.0896560000e+00 -1.3268840000e+00 -4.4401900000e-01
-ENERGY -1.526578161319e+02
-FORCES  4.5100000000e-04 -6.0117000000e-03 -8.2910000000e-04 -3.0619000000e-03  5.3013000000e-03  4.0566000000e-03  1.9597000000e-03  2.5429000000e-03 -2.1376000000e-03  6.7497000000e-03 -1.8840000000e-04  1.5785000000e-03 -2.3326000000e-03 -2.3251000000e-03 -4.5215000000e-03 -3.7659000000e-03  6.8100000000e-04  1.8531000000e-03
-
-JOB 42
-COORDS  1.7421910000e+00 -3.7478400000e-01 -3.9299200000e-01  2.3499670000e+00 -1.1132550000e+00 -4.3173800000e-01  8.8881000000e-01 -7.7483300000e-01 -2.2586300000e-01 -1.7372080000e+00  4.0602400000e-01  3.1862000000e-01 -1.4889500000e+00  1.2393540000e+00  7.1882200000e-01 -1.8702370000e+00 -1.8565900000e-01  1.0591910000e+00
-ENERGY -1.526564462363e+02
-FORCES -2.4624000000e-03 -4.0188000000e-03 -3.3860000000e-04 -2.6420000000e-03  2.8196000000e-03  3.4930000000e-04  6.1800000000e-03 -4.1200000000e-05  1.9390000000e-04 -1.0003000000e-03  3.3717000000e-03  4.9160000000e-03 -1.7290000000e-03 -3.9257000000e-03 -1.4109000000e-03  1.6537000000e-03  1.7943000000e-03 -3.7097000000e-03
-
-JOB 43
-COORDS  3.0395200000e-01  1.7629910000e+00 -4.5472900000e-01  1.2300400000e+00  1.9955950000e+00 -3.8773200000e-01  1.4075500000e-01  1.2059350000e+00  3.0638000000e-01 -3.9851800000e-01 -1.7191000000e+00  4.3677300000e-01  3.4730200000e-01 -2.1937810000e+00  8.0373700000e-01 -2.4166000000e-01 -1.7186930000e+00 -5.0748800000e-01
-ENERGY -1.526570985687e+02
-FORCES  2.0883000000e-03 -1.8549000000e-03  4.4185000000e-03 -3.4764000000e-03 -1.2003000000e-03 -4.1270000000e-04  1.8477000000e-03  4.6847000000e-03 -3.7778000000e-03  2.8398000000e-03 -3.7271000000e-03 -3.5578000000e-03 -2.9123000000e-03  2.6260000000e-03 -1.4537000000e-03 -3.8700000000e-04 -5.2830000000e-04  4.7836000000e-03
-
-JOB 44
-COORDS -1.6040010000e+00  2.4018000000e-02  9.8850100000e-01 -1.4862900000e+00 -8.0413000000e-02  4.4324000000e-02 -8.2953400000e-01 -3.8593300000e-01  1.3736950000e+00  1.5873030000e+00  5.1304000000e-02 -9.8589400000e-01  1.3182950000e+00 -3.7333000000e-02 -7.1558000000e-02  1.2575740000e+00 -7.4045600000e-01 -1.4108960000e+00
-ENERGY -1.526528133016e+02
-FORCES  2.4606000000e-03 -1.4588000000e-03 -2.5387000000e-03 -2.5280000000e-04 -5.6060000000e-04  4.7630000000e-03 -1.8260000000e-03  2.0027000000e-03 -2.6186000000e-03 -6.9730000000e-04 -3.1935000000e-03  1.7534000000e-03 -1.0580000000e-04 -6.4490000000e-04 -3.7310000000e-03  4.2130000000e-04  3.8551000000e-03  2.3719000000e-03
-
-JOB 45
-COORDS  1.5726900000e+00  8.9011200000e-01 -5.3458000000e-01  8.0053500000e-01  6.7368800000e-01 -1.0572350000e+00  1.2463670000e+00  9.4700500000e-01  3.6347800000e-01 -1.5144720000e+00 -8.9147800000e-01  4.5379100000e-01 -1.3695010000e+00 -9.2355000000e-02  9.6036600000e-01 -1.7617360000e+00 -1.5473230000e+00  1.1056800000e+00
-ENERGY -1.526546459807e+02
-FORCES -5.0222000000e-03 -2.5930000000e-03  9.5330000000e-04  3.9038000000e-03  2.6521000000e-03  2.0024000000e-03  8.3940000000e-04  7.0630000000e-04 -2.7932000000e-03 -1.6437000000e-03 -1.0534000000e-03  5.4207000000e-03  1.0068000000e-03 -2.8173000000e-03 -2.9351000000e-03  9.1580000000e-04  3.1053000000e-03 -2.6482000000e-03
-
-JOB 46
-COORDS -5.7724200000e-01 -1.4953850000e+00  9.8212700000e-01 -5.1446000000e-01 -8.4818900000e-01  2.7968300000e-01  2.9792100000e-01 -1.8797090000e+00  1.0332740000e+00  5.2665300000e-01  1.4126420000e+00 -9.5304100000e-01  6.5677500000e-01  2.0655270000e+00 -1.6408210000e+00  3.3019600000e-01  1.9256920000e+00 -1.6919400000e-01
-ENERGY -1.526581073771e+02
-FORCES  4.3150000000e-03  1.5522000000e-03 -4.2672000000e-03 -1.6238000000e-03 -3.9159000000e-03  5.2109000000e-03 -3.3952000000e-03  1.0263000000e-03  4.0980000000e-04  4.3360000000e-04  6.4269000000e-03 -9.8920000000e-04 -3.5690000000e-04 -2.2614000000e-03  3.3044000000e-03  6.2730000000e-04 -2.8282000000e-03 -3.6688000000e-03
-
-JOB 47
-COORDS  7.8929000000e-01 -1.1347370000e+00  1.1878230000e+00  1.6876250000e+00 -1.2088020000e+00  1.5099120000e+00  7.5995500000e-01 -1.7108300000e+00  4.2396000000e-01 -7.9552000000e-01  1.1613210000e+00 -1.2152360000e+00 -8.4298200000e-01  6.4745700000e-01 -4.0905800000e-01 -1.4963610000e+00  1.8076180000e+00 -1.1294860000e+00
-ENERGY -1.526571770479e+02
-FORCES  5.4902000000e-03 -2.9874000000e-03 -1.2343000000e-03 -3.7112000000e-03 -3.6650000000e-04 -1.1832000000e-03 -5.5540000000e-04  2.8698000000e-03  3.4804000000e-03 -2.1996000000e-03  4.1110000000e-04  4.9266000000e-03 -1.7116000000e-03  2.5002000000e-03 -5.6575000000e-03  2.6876000000e-03 -2.4272000000e-03 -3.3200000000e-04
-
-JOB 48
-COORDS  4.3250800000e-01  1.3949600000e+00  1.1601130000e+00  5.2323200000e-01  9.6926800000e-01  3.0759500000e-01  8.9678500000e-01  2.2264640000e+00  1.0637780000e+00 -4.5722200000e-01 -1.4748620000e+00 -1.0702270000e+00 -1.2502670000e+00 -9.3889500000e-01 -1.0630870000e+00  1.5907100000e-01 -9.8431800000e-01 -1.6140850000e+00
-ENERGY -1.526539465009e+02
-FORCES  2.6574000000e-03  5.8750000000e-04 -3.1717000000e-03 -4.5010000000e-04  3.7110000000e-03  2.4185000000e-03 -2.0104000000e-03 -3.6637000000e-03  1.1350000000e-04 -2.3109000000e-03  2.0505000000e-03 -2.9578000000e-03  4.4102000000e-03 -1.9704000000e-03 -2.6750000000e-04 -2.2962000000e-03 -7.1500000000e-04  3.8649000000e-03
-
-JOB 49
-COORDS  1.2360710000e+00 -7.4195400000e-01  1.2057690000e+00  8.0349400000e-01 -5.5172700000e-01  3.7334900000e-01  1.9776870000e+00 -1.2989160000e+00  9.6906200000e-01 -1.2379050000e+00  7.1631000000e-01 -1.1048330000e+00 -1.5625010000e+00  1.6034900000e+00 -9.5061800000e-01 -1.1862440000e+00  6.4192400000e-01 -2.0577390000e+00
-ENERGY -1.526574441591e+02
-FORCES -5.5320000000e-04 -6.1890000000e-04 -4.9496000000e-03  4.9454000000e-03 -2.6392000000e-03  4.6586000000e-03 -2.7859000000e-03  2.1179000000e-03  7.0090000000e-04 -2.9847000000e-03  4.8041000000e-03 -3.2272000000e-03  1.1324000000e-03 -3.8113000000e-03 -1.4097000000e-03  2.4590000000e-04  1.4730000000e-04  4.2271000000e-03
-
-JOB 50
-COORDS  1.4162960000e+00  1.3113030000e+00 -1.4211900000e-01  1.2534340000e+00  1.2348840000e+00 -1.0822620000e+00  7.5319700000e-01  1.9285780000e+00  1.6691700000e-01 -1.4155630000e+00 -1.3310280000e+00  2.2437500000e-01 -5.1694300000e-01 -1.6259380000e+00  3.7183100000e-01 -1.4871510000e+00 -1.2455750000e+00 -7.2631100000e-01
-ENERGY -1.526550550087e+02
-FORCES -4.0637000000e-03  3.0440000000e-03 -1.9116000000e-03  5.9950000000e-04 -3.7930000000e-04  3.6796000000e-03  3.3795000000e-03 -2.0652000000e-03 -1.6701000000e-03  4.6477000000e-03 -6.7480000000e-04 -2.7345000000e-03 -4.6240000000e-03  6.2300000000e-05 -8.5010000000e-04  6.1000000000e-05  1.2900000000e-05  3.4867000000e-03
-
-JOB 51
-COORDS  5.1750400000e-01  1.7788930000e+00 -8.0185200000e-01  2.8762300000e-01  1.6473510000e+00  1.1797600000e-01  2.4574000000e-01  2.6769860000e+00 -9.9107500000e-01 -5.4021800000e-01 -1.7954620000e+00  7.3824500000e-01 -4.7573000000e-01 -2.6377670000e+00  1.1883520000e+00  3.6713800000e-01 -1.5495700000e+00  5.5803800000e-01
-ENERGY -1.526549671522e+02
-FORCES -3.1977000000e-03  3.3059000000e-03  2.7797000000e-03  2.1591000000e-03  5.6450000000e-04 -3.8487000000e-03  1.2205000000e-03 -3.4909000000e-03  7.9650000000e-04  4.1170000000e-03 -3.0536000000e-03  1.3800000000e-04 -2.9280000000e-04  3.4677000000e-03 -1.8545000000e-03 -4.0062000000e-03 -7.9370000000e-04  1.9890000000e-03
-
-JOB 52
-COORDS  1.2558320000e+00 -1.3456350000e+00 -8.5870100000e-01  1.1773780000e+00 -9.1487600000e-01 -1.7098900000e+00  2.1741360000e+00 -1.2296610000e+00 -6.1477400000e-01 -1.3243930000e+00  1.3894220000e+00  8.7534900000e-01 -1.2321120000e+00  1.0165770000e+00  1.7521060000e+00 -1.1875050000e+00  6.4917400000e-01  2.8414100000e-01
-ENERGY -1.526562010486e+02
-FORCES  4.8438000000e-03  1.8740000000e-03 -2.8054000000e-03 -2.1560000000e-04 -1.7100000000e-03  3.8767000000e-03 -3.8157000000e-03 -7.0000000000e-04 -1.1641000000e-03  1.7002000000e-03 -5.6276000000e-03  1.0540000000e-03 -6.3900000000e-04  1.9186000000e-03 -3.0305000000e-03 -1.8737000000e-03  4.2449000000e-03  2.0693000000e-03
-
-JOB 53
-COORDS -6.2815000000e-01 -2.6890200000e-01  1.9523770000e+00 -1.0511220000e+00  3.0511700000e-01  2.5909920000e+00 -3.4369100000e-01  3.1902000000e-01  1.2526180000e+00  6.4283800000e-01  2.7067900000e-01 -1.9455950000e+00  7.3111300000e-01 -3.5683600000e-01 -1.2281940000e+00  4.9412700000e-01 -2.7057500000e-01 -2.7209410000e+00
-ENERGY -1.526553654506e+02
-FORCES -1.2633000000e-03  5.6805000000e-03  2.8040000000e-04  1.7017000000e-03 -2.4373000000e-03 -2.4347000000e-03 -3.5590000000e-04 -3.9380000000e-03  2.7571000000e-03 -5.9900000000e-05 -5.7425000000e-03 -1.4640000000e-03 -8.5400000000e-04  4.1005000000e-03 -2.1907000000e-03  8.3130000000e-04  2.3368000000e-03  3.0520000000e-03
-
-JOB 54
-COORDS -1.4264320000e+00 -1.2435990000e+00 -7.5760900000e-01 -1.0716120000e+00 -2.0623020000e+00 -1.1041050000e+00 -2.3484350000e+00 -1.2538440000e+00 -1.0145850000e+00  1.4531900000e+00  1.2565100000e+00  8.4833200000e-01  9.4983900000e-01  1.1396960000e+00  4.2588000000e-02  2.0234180000e+00  2.0040720000e+00  6.6882800000e-01
-ENERGY -1.526553637454e+02
-FORCES -2.8606000000e-03 -4.2428000000e-03 -1.8858000000e-03 -1.5843000000e-03  3.5811000000e-03  1.1281000000e-03  3.9007000000e-03  1.2900000000e-05  8.9370000000e-04 -8.7240000000e-04  1.7942000000e-03 -4.2524000000e-03  3.6461000000e-03  1.8153000000e-03  3.3986000000e-03 -2.2295000000e-03 -2.9607000000e-03  7.1780000000e-04
-
-JOB 55
-COORDS -1.1136500000e-01 -1.8137740000e+00 -9.4935500000e-01  4.5442900000e-01 -1.4843570000e+00 -1.6476340000e+00 -3.9407700000e-01 -2.6753600000e+00 -1.2559110000e+00  1.2674400000e-01  1.7912740000e+00  1.0135120000e+00  6.5983000000e-02  2.5994990000e+00  1.5227400000e+00 -4.3336100000e-01  1.9443950000e+00  2.5254600000e-01
-ENERGY -1.526535089657e+02
-FORCES  1.7930000000e-03 -2.3300000000e-03 -3.6642000000e-03 -2.7821000000e-03 -1.2745000000e-03  2.5322000000e-03  1.1142000000e-03  3.6038000000e-03  1.3080000000e-03 -3.1203000000e-03  3.1464000000e-03 -1.1308000000e-03  3.1570000000e-04 -3.3740000000e-03 -2.0207000000e-03  2.6794000000e-03  2.2840000000e-04  2.9755000000e-03
-
-JOB 56
-COORDS  2.1466800000e-01 -1.9905610000e+00  8.6594000000e-01  7.4636100000e-01 -1.8218450000e+00  8.8078000000e-02 -5.3724300000e-01 -1.4053680000e+00  7.7422800000e-01 -2.2576300000e-01  1.9129580000e+00 -7.6754300000e-01  2.9236200000e-01  1.5490240000e+00 -1.4854080000e+00 -2.7411300000e-01  2.8498860000e+00 -9.5743300000e-01
-ENERGY -1.526550348756e+02
-FORCES -1.2063000000e-03  4.3118000000e-03 -3.2231000000e-03 -1.7792000000e-03 -1.0798000000e-03  2.6480000000e-03  2.9770000000e-03 -3.7081000000e-03  4.3130000000e-04  1.9725000000e-03  3.7263000000e-03 -3.6641000000e-03 -2.2485000000e-03  7.0410000000e-04  3.2142000000e-03  2.8450000000e-04 -3.9544000000e-03  5.9380000000e-04
-
-JOB 57
-COORDS -1.5688010000e+00 -1.0560250000e+00 -8.4849600000e-01 -2.0474770000e+00 -1.6483330000e+00 -1.4283860000e+00 -1.5308350000e+00 -1.5185170000e+00 -1.1304000000e-02  1.6572000000e+00  1.1506650000e+00  8.3291700000e-01  1.4945600000e+00  2.1737000000e-01  6.9602000000e-01  7.8520100000e-01  1.5365000000e+00  9.1647800000e-01
-ENERGY -1.526550109117e+02
-FORCES -2.8339000000e-03 -4.8347000000e-03 -4.4600000000e-05  1.9408000000e-03  2.3876000000e-03  2.6400000000e-03  7.0360000000e-04  2.5029000000e-03 -3.2546000000e-03 -4.9242000000e-03 -2.2543000000e-03 -1.6432000000e-03  1.2246000000e-03  3.4481000000e-03  1.7015000000e-03  3.8891000000e-03 -1.2496000000e-03  6.0100000000e-04
-
-JOB 58
-COORDS  5.0279800000e-01 -1.7066840000e+00 -1.2395110000e+00  1.5757700000e-01 -1.8731600000e+00 -3.6239100000e-01  1.1649640000e+00 -2.3855320000e+00 -1.3696350000e+00 -5.5639200000e-01  1.7890160000e+00  1.1563720000e+00 -8.4201500000e-01  1.0227690000e+00  1.6538830000e+00  3.6285200000e-01  1.9028720000e+00  1.3977400000e+00
-ENERGY -1.526531053531e+02
-FORCES  9.6650000000e-04 -3.3606000000e-03  2.7536000000e-03  1.5454000000e-03  6.1330000000e-04 -3.1402000000e-03 -2.6949000000e-03  2.9791000000e-03  6.0870000000e-04  2.9024000000e-03 -2.4493000000e-03  2.3311000000e-03  1.1983000000e-03  2.6533000000e-03 -2.0086000000e-03 -3.9178000000e-03 -4.3570000000e-04 -5.4460000000e-04
-
-JOB 59
-COORDS -3.6721600000e-01  6.3914100000e-01  2.1141160000e+00 -1.9121400000e-01 -2.0934600000e-01  2.5207180000e+00  6.9446000000e-02  5.9286800000e-01  1.2635760000e+00  3.2756800000e-01 -6.5957300000e-01 -2.0833450000e+00  8.2549600000e-01 -1.0239700000e-01 -1.4851360000e+00 -1.4818600000e-01 -4.5829000000e-02 -2.6429960000e+00
-ENERGY -1.526534887543e+02
-FORCES  1.9209000000e-03 -4.5212000000e-03 -1.6613000000e-03 -5.5670000000e-04  3.8054000000e-03 -1.4776000000e-03 -9.3060000000e-04  9.4690000000e-04  2.8298000000e-03 -4.7900000000e-05  4.8550000000e-03 -1.3070000000e-03 -2.6159000000e-03 -2.4150000000e-03 -8.7080000000e-04  2.2301000000e-03 -2.6711000000e-03  2.4869000000e-03
-
-JOB 60
-COORDS  1.6398440000e+00 -1.4606810000e+00 -4.3270100000e-01  1.3612100000e+00 -2.2847420000e+00 -3.3304000000e-02  1.0093790000e+00 -1.3101110000e+00 -1.1370270000e+00 -1.5945630000e+00  1.4368730000e+00  4.3231600000e-01 -1.9068710000e+00  1.8272040000e+00  1.2486110000e+00 -1.1986630000e+00  2.1653820000e+00 -4.5983000000e-02
-ENERGY -1.526544565606e+02
-FORCES -4.8523000000e-03 -2.1816000000e-03 -7.0840000000e-04  1.4998000000e-03  2.9487000000e-03 -1.6649000000e-03  3.2614000000e-03 -9.3440000000e-04  2.1776000000e-03  9.7420000000e-04  4.6798000000e-03  1.9025000000e-03  1.0552000000e-03 -1.5257000000e-03 -3.3714000000e-03 -1.9383000000e-03 -2.9868000000e-03  1.6646000000e-03
-
-JOB 61
-COORDS  2.2747800000e+00  2.1192300000e-01 -4.6117500000e-01  1.4008360000e+00 -1.0903800000e-01 -6.8352100000e-01  2.2715590000e+00  2.7473800000e-01  4.9395600000e-01 -2.2429320000e+00 -2.3013300000e-01  3.6327700000e-01 -2.3133840000e+00  7.0168200000e-01  5.7061600000e-01 -1.9628120000e+00 -6.3782400000e-01  1.1827600000e+00
-ENERGY -1.526550075785e+02
-FORCES -4.0421000000e-03 -1.3194000000e-03  2.4884000000e-03  4.6048000000e-03  1.4949000000e-03  1.1786000000e-03  5.9000000000e-06 -1.4790000000e-04 -3.5924000000e-03 -9.0070000000e-04  2.2662000000e-03  4.5114000000e-03  7.3880000000e-04 -4.1405000000e-03 -8.5140000000e-04 -4.0660000000e-04  1.8467000000e-03 -3.7345000000e-03
-
-JOB 62
-COORDS  2.1919730000e+00  2.4101300000e-01 -5.4435500000e-01  3.1039660000e+00 -4.4997000000e-02 -4.9239700000e-01  1.8331320000e+00 -2.3598000000e-01 -1.2926480000e+00 -2.1784760000e+00 -1.5400700000e-01  5.7619500000e-01 -2.6265390000e+00 -4.9435500000e-01  1.3505550000e+00 -2.4958340000e+00 -6.9920700000e-01 -1.4371600000e-01
-ENERGY -1.526530668295e+02
-FORCES  1.5723000000e-03 -3.1103000000e-03 -2.7233000000e-03 -3.7333000000e-03  1.1930000000e-03 -1.0360000000e-04  1.8223000000e-03  1.8190000000e-03  2.7241000000e-03 -2.8358000000e-03 -3.5012000000e-03  6.2390000000e-04  1.6937000000e-03  1.3989000000e-03 -3.2393000000e-03  1.4807000000e-03  2.2006000000e-03  2.7182000000e-03
-
-JOB 63
-COORDS -2.1473370000e+00 -8.7726000000e-02 -8.4054100000e-01 -1.8823580000e+00  7.3400300000e-01 -4.2728600000e-01 -2.8784170000e+00  1.5435600000e-01 -1.4090030000e+00  2.2243710000e+00  5.4255000000e-02  8.8872600000e-01  1.5480960000e+00  5.3590900000e-01  4.1239200000e-01  2.0425070000e+00 -8.6607200000e-01  6.9858000000e-01
-ENERGY -1.526546422866e+02
-FORCES -3.1085000000e-03  4.3023000000e-03 -8.2530000000e-04 -7.7400000000e-05 -3.5823000000e-03 -1.8225000000e-03  3.0733000000e-03 -9.5020000000e-04  2.4366000000e-03 -3.7298000000e-03 -2.4571000000e-03 -3.0853000000e-03  2.6153000000e-03 -1.1402000000e-03  2.2713000000e-03  1.2270000000e-03  3.8275000000e-03  1.0252000000e-03
-
-JOB 64
-COORDS  2.4036310000e+00 -1.5209000000e-01  3.0982100000e-01  1.9540550000e+00 -5.2871000000e-02 -5.2938700000e-01  2.5756510000e+00 -1.0910580000e+00  3.8038300000e-01 -2.4348140000e+00  2.0492500000e-01 -2.3462600000e-01 -1.8572340000e+00  9.3296700000e-01 -4.6395000000e-01 -2.0023700000e+00 -5.6801800000e-01 -5.9764400000e-01
-ENERGY -1.526534521191e+02
-FORCES -4.5740000000e-04 -3.6408000000e-03 -2.8023000000e-03  1.1113000000e-03 -2.9750000000e-04  3.4583000000e-03 -8.6220000000e-04  3.9704000000e-03 -4.7540000000e-04  4.1147000000e-03  4.3600000000e-05 -1.7859000000e-03 -2.3594000000e-03 -3.2189000000e-03  4.3980000000e-04 -1.5470000000e-03  3.1431000000e-03  1.1655000000e-03
-
-JOB 65
-COORDS  2.3258230000e+00 -8.3115200000e-01 -1.9058400000e-01  2.3204200000e+00 -2.4557800000e-01 -9.4775300000e-01  1.4018840000e+00 -9.4205500000e-01  3.3626000000e-02 -2.2272690000e+00  8.3183800000e-01  2.5735900000e-01 -2.5264580000e+00  1.0560030000e+00 -6.2381500000e-01 -2.7329240000e+00  5.3637000000e-02  4.9177000000e-01
-ENERGY -1.526549893379e+02
-FORCES -4.3297000000e-03  2.6286000000e-03 -1.7126000000e-03  3.2490000000e-04 -2.5313000000e-03  2.6972000000e-03  4.2817000000e-03 -4.3700000000e-04 -1.1562000000e-03 -4.4077000000e-03 -1.6228000000e-03 -2.2867000000e-03  1.5990000000e-03 -1.1363000000e-03  3.6098000000e-03  2.5318000000e-03  3.0988000000e-03 -1.1516000000e-03
-
-JOB 66
-COORDS -8.8410300000e-01 -1.5689380000e+00  1.7423630000e+00 -1.0986000000e-02 -1.3660830000e+00  2.0781430000e+00 -1.0984830000e+00 -8.3193600000e-01  1.1704360000e+00  8.5568100000e-01  1.5307800000e+00 -1.6744430000e+00  1.1085850000e+00  1.9766060000e+00 -2.4828430000e+00  3.8931700000e-01  7.4805900000e-01 -1.9678460000e+00
-ENERGY -1.526548690134e+02
-FORCES  2.9145000000e-03  4.3750000000e-03 -5.6320000000e-04 -3.6410000000e-03 -1.1921000000e-03 -1.2730000000e-03  5.9780000000e-04 -3.5348000000e-03  1.8788000000e-03 -4.4930000000e-04 -9.8760000000e-04 -5.2084000000e-03 -1.0687000000e-03 -1.9039000000e-03  3.3006000000e-03  1.6467000000e-03  3.2434000000e-03  1.8653000000e-03
-
-JOB 67
-COORDS  1.3378500000e+00  3.7738500000e-01  2.0906260000e+00  1.0467880000e+00  4.8496600000e-01  1.1851190000e+00  5.9657400000e-01 -3.5642000000e-02  2.5335150000e+00 -1.2269410000e+00 -3.1085700000e-01 -2.0706140000e+00 -1.0941810000e+00 -1.2581790000e+00 -2.1050880000e+00 -2.1650790000e+00 -2.0560000000e-01 -1.9123400000e+00
-ENERGY -1.526551991102e+02
-FORCES -4.3239000000e-03 -9.5910000000e-04 -2.5157000000e-03  1.6005000000e-03 -5.5090000000e-04  4.5285000000e-03  2.9464000000e-03  1.4966000000e-03 -1.5379000000e-03 -3.7704000000e-03 -3.5949000000e-03 -6.7790000000e-04 -5.1120000000e-04  4.0983000000e-03  5.5470000000e-04  4.0586000000e-03 -4.9000000000e-04 -3.5170000000e-04
-
-JOB 68
-COORDS -1.2540770000e+00  1.2307760000e+00  1.6701900000e+00 -1.3670680000e+00  5.9471800000e-01  2.3765140000e+00 -7.6549100000e-01  1.9498830000e+00  2.0706910000e+00  1.2538150000e+00 -1.2630660000e+00 -1.7830320000e+00  1.7303650000e+00 -9.9382200000e-01 -9.9776800000e-01  3.3948500000e-01 -1.0534010000e+00 -1.5925780000e+00
-ENERGY -1.526552103563e+02
-FORCES  9.1510000000e-04  1.0191000000e-03  5.0827000000e-03  7.3690000000e-04  2.4991000000e-03 -3.1774000000e-03 -1.8858000000e-03 -3.1963000000e-03 -1.6897000000e-03 -2.3136000000e-03  2.5511000000e-03  4.2195000000e-03 -1.3815000000e-03 -1.3887000000e-03 -3.1828000000e-03  3.9288000000e-03 -1.4844000000e-03 -1.2522000000e-03
-
-JOB 69
-COORDS  1.1450290000e+00  1.5743590000e+00 -1.5855560000e+00  2.8043500000e-01  1.8842600000e+00 -1.8551320000e+00  9.6629500000e-01  9.3126800000e-01 -8.9946600000e-01 -1.0969120000e+00 -1.5117090000e+00  1.5076960000e+00 -9.0146600000e-01 -2.4472730000e+00  1.4552260000e+00 -1.1037600000e+00 -1.3201990000e+00  2.4455170000e+00
-ENERGY -1.526556800267e+02
-FORCES -4.7006000000e-03 -1.8671000000e-03  2.1147000000e-03  3.5429000000e-03 -8.9040000000e-04  7.8040000000e-04  1.4842000000e-03  3.1526000000e-03 -3.2492000000e-03  3.2480000000e-04 -3.5973000000e-03  4.0791000000e-03 -7.5340000000e-04  3.9808000000e-03  2.5150000000e-04  1.0210000000e-04 -7.7860000000e-04 -3.9765000000e-03
-
-JOB 70
-COORDS  6.5058000000e-02 -8.4935100000e-01 -2.3197540000e+00  9.9137600000e-01 -6.6528200000e-01 -2.4755890000e+00 -3.9932700000e-01 -2.7892400000e-01 -2.9322830000e+00 -1.5334300000e-01  8.3349500000e-01  2.3655790000e+00  6.1849700000e-01  1.2351730000e+00  2.7645140000e+00  1.8696500000e-01  6.8622000000e-02  1.9014770000e+00
-ENERGY -1.526545508909e+02
-FORCES  1.3994000000e-03  3.3543000000e-03 -3.5706000000e-03 -3.6825000000e-03 -8.2330000000e-04  9.8860000000e-04  2.0970000000e-03 -2.4828000000e-03  2.3333000000e-03  4.2325000000e-03 -1.9164000000e-03 -7.6560000000e-04 -3.0401000000e-03 -1.5220000000e-03 -1.6400000000e-03 -1.0063000000e-03  3.3902000000e-03  2.6543000000e-03
-
-JOB 71
-COORDS  1.0413390000e+00 -6.8680200000e-01 -2.1491390000e+00  6.4208900000e-01 -1.5567580000e+00 -2.1516930000e+00  1.3352030000e+00 -5.5496400000e-01 -3.0505230000e+00 -1.0555640000e+00  7.7751200000e-01  2.2094020000e+00 -8.2200400000e-01  1.4061000000e-02  2.7374400000e+00 -9.2856400000e-01  4.9157700000e-01  1.3047780000e+00
-ENERGY -1.526548522410e+02
-FORCES  1.1050000000e-04 -2.8323000000e-03 -4.4344000000e-03  1.4138000000e-03  3.7156000000e-03  4.5550000000e-04 -1.2442000000e-03 -7.4520000000e-04  3.7019000000e-03  2.0566000000e-03 -4.0269000000e-03 -2.1008000000e-03 -1.1121000000e-03  2.9422000000e-03 -1.9683000000e-03 -1.2247000000e-03  9.4650000000e-04  4.3461000000e-03
-
-JOB 72
-COORDS -4.8320000000e-01  7.5664500000e-01 -2.5863900000e+00 -1.3635200000e+00  6.1528900000e-01 -2.2381270000e+00 -6.2031000000e-02  1.3320550000e+00 -1.9478360000e+00  5.2335300000e-01 -7.3056100000e-01  2.4872980000e+00  7.5306500000e-01 -1.6545720000e+00  2.3889810000e+00  7.9623000000e-02 -6.8236400000e-01  3.3340650000e+00
-ENERGY -1.526547449346e+02
-FORCES -1.6273000000e-03  1.6171000000e-03  4.6886000000e-03  3.3084000000e-03  5.8330000000e-04 -1.7421000000e-03 -1.7794000000e-03 -2.0293000000e-03 -3.0989000000e-03 -5.9730000000e-04 -3.8788000000e-03  3.1330000000e-03 -1.0334000000e-03  3.8400000000e-03  5.5880000000e-04  1.7291000000e-03 -1.3230000000e-04 -3.5393000000e-03
-
-JOB 73
-COORDS  1.5062200000e+00 -1.1380870000e+00  1.8583350000e+00  1.9420560000e+00 -5.2334300000e-01  2.4485620000e+00  1.1742100000e+00 -1.8279730000e+00  2.4328410000e+00 -1.5393750000e+00  1.1600230000e+00 -1.8722960000e+00 -1.8847630000e+00  9.2645600000e-01 -2.7339140000e+00 -5.9057200000e-01  1.0706030000e+00 -1.9617820000e+00
-ENERGY -1.526542961637e+02
-FORCES -2.6900000000e-05 -2.7370000000e-04  4.9299000000e-03 -1.6259000000e-03 -2.5276000000e-03 -2.4860000000e-03  1.5581000000e-03  2.7347000000e-03 -2.2897000000e-03  2.8677000000e-03 -1.7220000000e-03 -3.4487000000e-03  1.2904000000e-03  9.8830000000e-04  3.4299000000e-03 -4.0634000000e-03  8.0030000000e-04 -1.3540000000e-04
-
-JOB 74
-COORDS  9.7209900000e-01 -2.3788060000e+00 -1.2135620000e+00  1.5725450000e+00 -2.5895410000e+00 -1.9286050000e+00  1.3137460000e+00 -1.5638840000e+00 -8.4557900000e-01 -1.0194720000e+00  2.3005490000e+00  1.2764880000e+00 -1.7428460000e+00  2.5333750000e+00  6.9446200000e-01 -3.2102200000e-01  2.9140910000e+00  1.0485330000e+00
-ENERGY -1.526541400120e+02
-FORCES  3.6830000000e-03  2.6002000000e-03 -1.0032000000e-03 -2.4562000000e-03  8.9060000000e-04  2.8460000000e-03 -1.0871000000e-03 -3.4810000000e-03 -1.8925000000e-03 -5.8090000000e-04  3.5431000000e-03 -3.1874000000e-03  3.1014000000e-03 -8.3280000000e-04  2.4016000000e-03 -2.6602000000e-03 -2.7201000000e-03  8.3550000000e-04
-
-JOB 75
-COORDS  3.2312500000e-01  7.3457100000e-01  2.7670000000e+00  3.5026800000e-01  6.5455800000e-01  1.8135370000e+00 -6.0392400000e-01  8.5747300000e-01  2.9712240000e+00 -3.1764300000e-01 -7.3727800000e-01 -2.7669940000e+00  3.8627100000e-01 -9.3466000000e-02 -2.6879800000e+00 -1.5747900000e-01 -1.3565890000e+00 -2.0549310000e+00
-ENERGY -1.526539205684e+02
-FORCES -3.9738000000e-03  4.5400000000e-04 -2.8085000000e-03  1.8920000000e-04  3.3100000000e-05  3.6486000000e-03  3.9154000000e-03 -5.7590000000e-04 -8.4570000000e-04  3.7669000000e-03 -3.1890000000e-04  2.5053000000e-03 -3.1099000000e-03 -2.5723000000e-03  1.0580000000e-04 -7.8770000000e-04  2.9801000000e-03 -2.6055000000e-03
-
-JOB 76
-COORDS  1.3076300000e-01  1.6349630000e+00  2.5057890000e+00  3.4995000000e-01  7.1996100000e-01  2.3298330000e+00 -2.7767200000e-01  1.9437030000e+00  1.6970290000e+00 -1.1286500000e-01 -1.6559790000e+00 -2.4945380000e+00 -6.5587300000e-01 -8.6916100000e-01 -2.5424070000e+00  3.5782300000e-01 -1.5726440000e+00 -1.6652370000e+00
-ENERGY -1.526533385942e+02
-FORCES -8.2560000000e-04 -2.2661000000e-03 -3.5783000000e-03 -9.1520000000e-04  3.7449000000e-03  3.0570000000e-04  1.7670000000e-03 -1.5559000000e-03  3.1081000000e-03 -2.3950000000e-04  3.3469000000e-03  2.7649000000e-03  2.3180000000e-03 -3.1756000000e-03  5.1990000000e-04 -2.1046000000e-03 -9.4200000000e-05 -3.1203000000e-03
-
-JOB 77
-COORDS -1.5861710000e+00 -1.1235310000e+00  2.3887090000e+00 -1.8604320000e+00 -8.2294900000e-01  3.2551170000e+00 -2.3911720000e+00 -1.1296090000e+00  1.8708590000e+00  1.6224340000e+00  1.1090810000e+00 -2.4632570000e+00  1.1878840000e+00  1.3772430000e+00 -1.6536350000e+00  2.4859990000e+00  8.0582300000e-01 -2.1830410000e+00
-ENERGY -1.526545121346e+02
-FORCES -4.6118000000e-03  9.1000000000e-04  1.4931000000e-03  1.1798000000e-03 -1.1551000000e-03 -3.5786000000e-03  3.3615000000e-03  1.5410000000e-04  2.1600000000e-03  1.6765000000e-03 -4.2220000000e-04  4.7395000000e-03  1.7748000000e-03 -8.2040000000e-04 -3.5303000000e-03 -3.3808000000e-03  1.3335000000e-03 -1.2838000000e-03
-
-JOB 78
-COORDS -1.6847410000e+00  2.7832220000e+00 -4.6100900000e-01 -1.0078710000e+00  2.6561870000e+00  2.0377700000e-01 -1.8176760000e+00  3.7306980000e+00 -4.9015100000e-01  1.6421530000e+00 -2.8958450000e+00  4.5229400000e-01  1.8875760000e+00 -2.7656010000e+00 -4.6369500000e-01  1.5430560000e+00 -2.0105050000e+00  8.0241300000e-01
-ENERGY -1.526539745222e+02
-FORCES  1.9381000000e-03  3.5699000000e-03  2.6326000000e-03 -2.5599000000e-03  2.8980000000e-04 -2.7863000000e-03  6.0300000000e-04 -3.9195000000e-03  1.1950000000e-04  3.7860000000e-04  4.0969000000e-03 -2.5002000000e-03 -8.7220000000e-04 -5.4190000000e-04  3.8170000000e-03  5.1240000000e-04 -3.4952000000e-03 -1.2825000000e-03
-
-JOB 79
-COORDS  2.1012200000e+00 -1.6365990000e+00 -2.0859860000e+00  3.0504400000e+00 -1.7549220000e+00 -2.0511570000e+00  1.8506680000e+00 -1.9599070000e+00 -2.9513920000e+00 -2.1352660000e+00  1.6065560000e+00  2.0863880000e+00 -1.3980540000e+00  2.0406350000e+00  2.5157190000e+00 -2.9064700000e+00  2.0828010000e+00  2.3940680000e+00
-ENERGY -1.526537185355e+02
-FORCES  2.6420000000e-03 -1.8011000000e-03 -3.3692000000e-03 -3.8381000000e-03  5.1510000000e-04 -1.1060000000e-04  1.1105000000e-03  1.3010000000e-03  3.4997000000e-03  1.0580000000e-04  3.6162000000e-03  2.8721000000e-03 -3.1171000000e-03 -1.6787000000e-03 -1.6283000000e-03  3.0968000000e-03 -1.9524000000e-03 -1.2637000000e-03
-
-JOB 80
-COORDS  1.3978150000e+00  2.0714700000e+00 -2.4616140000e+00  7.7372500000e-01  1.3836430000e+00 -2.6932080000e+00  2.0648790000e+00  2.0309290000e+00 -3.1468980000e+00 -1.3520310000e+00 -2.0524790000e+00  2.5447520000e+00 -2.0807500000e+00 -1.5759740000e+00  2.9424250000e+00 -1.5862130000e+00 -2.1201970000e+00  1.6191150000e+00
-ENERGY -1.526539015922e+02
-FORCES  3.5680000000e-04 -2.9865000000e-03 -3.6945000000e-03  2.4061000000e-03  2.7850000000e-03  9.6330000000e-04 -2.7745000000e-03  1.7630000000e-04  2.7740000000e-03 -3.8549000000e-03  1.8571000000e-03 -2.0800000000e-03  2.9296000000e-03 -2.0284000000e-03 -1.6381000000e-03  9.3690000000e-04  1.9650000000e-04  3.6753000000e-03
-
-JOB 81
-COORDS  1.5338460000e+00 -3.2027890000e+00  7.8250700000e-01  9.7585600000e-01 -3.9804900000e+00  7.9020100000e-01  1.2405110000e+00 -2.7044930000e+00  1.9691000000e-02 -1.5396970000e+00  3.2102510000e+00 -7.6031300000e-01 -1.0384700000e+00  2.5569650000e+00 -2.7223600000e-01 -9.6023700000e-01  3.9706160000e+00 -8.0830000000e-01
-ENERGY -1.526541916043e+02
-FORCES -3.4764000000e-03 -1.3954000000e-03 -3.1284000000e-03  2.2961000000e-03  3.2164000000e-03 -2.3500000000e-05  1.2089000000e-03 -1.8260000000e-03  3.2047000000e-03  4.4122000000e-03  6.0470000000e-04  1.9487000000e-03 -2.0678000000e-03  2.5308000000e-03 -2.1512000000e-03 -2.3729000000e-03 -3.1305000000e-03  1.4970000000e-04
-
-JOB 82
-COORDS -4.3587400000e-01 -3.2475360000e+00  1.5134900000e+00  1.5320000000e-03 -4.0915090000e+00  1.6258190000e+00 -3.9868200000e-01 -3.0814450000e+00  5.7154400000e-01  3.8603100000e-01  3.2634490000e+00 -1.5254620000e+00  8.8758300000e-01  2.7275290000e+00 -9.1107800000e-01  2.9027700000e-01  4.1077340000e+00 -1.0847290000e+00
-ENERGY -1.526542629625e+02
-FORCES  1.7785000000e-03 -2.8712000000e-03 -3.4583000000e-03 -1.7468000000e-03  3.4704000000e-03 -4.3810000000e-04 -3.7400000000e-05 -6.3750000000e-04  3.9252000000e-03  1.5750000000e-03  1.2985000000e-03  4.4521000000e-03 -1.9914000000e-03  2.1469000000e-03 -2.6377000000e-03  4.2210000000e-04 -3.4072000000e-03 -1.8432000000e-03
-
-JOB 83
-COORDS  9.0733800000e-01  1.0159060000e+00 -3.5906550000e+00  1.4441770000e+00  3.2871300000e-01 -3.1959370000e+00  1.5304300000e+00  1.7056300000e+00 -3.8192790000e+00 -9.9937600000e-01 -1.0641240000e+00  3.5495080000e+00 -6.5483000000e-02 -1.0102140000e+00  3.7524140000e+00 -1.3782890000e+00 -2.8372100000e-01  3.9540170000e+00
-ENERGY -1.526539724218e+02
-FORCES  4.6470000000e-03 -1.1110000000e-04  7.2260000000e-04 -2.1009000000e-03  2.8744000000e-03 -1.6555000000e-03 -2.5346000000e-03 -2.7816000000e-03  9.5220000000e-04  2.1513000000e-03  3.4856000000e-03  2.4170000000e-03 -3.7507000000e-03 -2.5300000000e-04 -8.4930000000e-04  1.5879000000e-03 -3.2142000000e-03 -1.5869000000e-03
-
-JOB 84
-COORDS  2.7558300000e+00 -2.1997050000e+00  1.5351490000e+00  2.4068480000e+00 -2.2544030000e+00  2.4247850000e+00  2.8264670000e+00 -3.1102910000e+00  1.2486600000e+00 -2.7663640000e+00  2.2189540000e+00 -1.6147330000e+00 -1.8465870000e+00  2.4783830000e+00 -1.5605340000e+00 -3.1723660000e+00  2.6114530000e+00 -8.4185600000e-01
-ENERGY -1.526541866811e+02
-FORCES -1.1755000000e-03 -4.0469000000e-03  2.3926000000e-03  1.4308000000e-03  2.8860000000e-04 -3.6039000000e-03 -2.4990000000e-04  3.7237000000e-03  1.2095000000e-03  2.2805000000e-03  2.5638000000e-03  3.3928000000e-03 -3.8639000000e-03 -9.4710000000e-04 -2.5520000000e-04  1.5780000000e-03 -1.5821000000e-03 -3.1358000000e-03
-
-JOB 85
-COORDS -1.2041610000e+00  1.7225450000e+00 -3.4250560000e+00 -9.7194300000e-01  2.3275000000e+00 -4.1295670000e+00 -1.8090270000e+00  1.1018330000e+00 -3.8313620000e+00  1.2621380000e+00 -1.7546320000e+00  3.5418780000e+00  6.6533600000e-01 -1.0140610000e+00  3.6496450000e+00  1.2526590000e+00 -1.9356890000e+00  2.6020060000e+00
-ENERGY -1.526543429100e+02
-FORCES -1.5322000000e-03  3.8900000000e-05 -4.6520000000e-03 -9.5720000000e-04 -2.4926000000e-03  2.8852000000e-03  2.4869000000e-03  2.4903000000e-03  1.7249000000e-03 -2.4746000000e-03  2.4166000000e-03 -3.5271000000e-03  2.4164000000e-03 -3.0630000000e-03 -3.2190000000e-04  6.0800000000e-05  6.0980000000e-04  3.8909000000e-03
-
-JOB 86
-COORDS  3.1192050000e+00  1.9933500000e+00  2.0011880000e+00  2.1797750000e+00  1.8271210000e+00  2.0791040000e+00  3.4862340000e+00  1.6903020000e+00  2.8316600000e+00 -3.0959880000e+00 -1.9274280000e+00 -2.0047660000e+00 -3.3799270000e+00 -2.8408800000e+00 -1.9699120000e+00 -2.6724110000e+00 -1.8401960000e+00 -2.8587020000e+00
-ENERGY -1.526542298941e+02
-FORCES -2.4655000000e-03 -1.9468000000e-03  3.6581000000e-03  3.9263000000e-03  7.2120000000e-04 -2.6070000000e-04 -1.4435000000e-03  1.2385000000e-03 -3.3668000000e-03  5.7900000000e-04 -3.3622000000e-03 -3.4329000000e-03  1.1580000000e-03  3.7232000000e-03 -1.0480000000e-04 -1.7543000000e-03 -3.7380000000e-04  3.5071000000e-03
-
-JOB 87
-COORDS -3.2331510000e+00  4.4690600000e-01 -3.9451550000e+00 -3.4811100000e+00  3.2739100000e-01 -3.0283870000e+00 -3.4648630000e+00 -3.8084400000e-01 -4.3663090000e+00  3.3092180000e+00 -4.0463200000e-01  3.8751830000e+00  3.3778230000e+00  2.2177200000e-01  4.5956990000e+00  2.4143490000e+00 -7.3949700000e-01  3.9326950000e+00
-ENERGY -1.526540095104e+02
-FORCES -1.9052000000e-03 -3.8769000000e-03  1.9954000000e-03  9.8870000000e-04  4.9270000000e-04 -3.7162000000e-03  9.2260000000e-04  3.3826000000e-03  1.7308000000e-03 -3.3383000000e-03  1.2315000000e-03  3.1616000000e-03 -2.9360000000e-04 -2.5743000000e-03 -2.9330000000e-03  3.6258000000e-03  1.3445000000e-03 -2.3860000000e-04
-
-JOB 88
-COORDS -3.9677370000e+00 -8.3024500000e-01  3.5172620000e+00 -3.1290280000e+00 -6.3326400000e-01  3.9343920000e+00 -4.6234820000e+00 -5.9263700000e-01  4.1728330000e+00  3.8984900000e+00  7.9049300000e-01 -3.5914060000e+00  4.2376290000e+00  7.4661800000e-01 -2.6973750000e+00  4.6246730000e+00  1.1419120000e+00 -4.1065710000e+00
-ENERGY -1.526539911666e+02
-FORCES  7.4800000000e-04  1.7830000000e-03  4.3329000000e-03 -3.4170000000e-03 -8.0740000000e-04 -1.6764000000e-03  2.6783000000e-03 -9.7320000000e-04 -2.6646000000e-03  4.3126000000e-03  1.2359000000e-03  1.5413000000e-03 -1.3646000000e-03  1.9110000000e-04 -3.6396000000e-03 -2.9574000000e-03 -1.4295000000e-03  2.1065000000e-03
-
-JOB 89
-COORDS -2.8454300000e+00  2.5444130000e+00  5.1421530000e+00 -3.1563990000e+00  3.0733300000e+00  5.8768490000e+00 -2.3178380000e+00  3.1475420000e+00  4.6185940000e+00  2.8189570000e+00 -2.5561720000e+00 -5.1575070000e+00  2.8722350000e+00 -3.0953130000e+00 -4.3683800000e+00  3.0536780000e+00 -3.1502890000e+00 -5.8703630000e+00
-ENERGY -1.526540958481e+02
-FORCES  8.8500000000e-04  4.6284000000e-03  8.2800000000e-04  1.2671000000e-03 -2.1628000000e-03 -2.9852000000e-03 -2.1529000000e-03 -2.4614000000e-03  2.1584000000e-03  1.1478000000e-03 -4.6346000000e-03  3.3200000000e-04 -1.9850000000e-04  2.2022000000e-03 -3.2321000000e-03 -9.4840000000e-04  2.4282000000e-03  2.8988000000e-03
-
-JOB 0
-COORDS  3.9774100000e-01  5.8474100000e-01  1.1637770000e+00 -1.2712100000e-01 -4.7280000000e-02  1.6550020000e+00  3.9872000000e-01  2.5031200000e-01  2.6690000000e-01 -3.3225600000e-01 -5.1126800000e-01 -1.0906070000e+00 -4.4959100000e-01 -1.4064440000e+00 -1.4086080000e+00 -8.5358300000e-01  2.5677000000e-02 -1.6873820000e+00
-ENERGY -1.526573766906e+02
-FORCES -7.2459000000e-03 -1.0720500000e-02 -1.4682400000e-02  1.4389000000e-03  1.3658000000e-03  9.0800000000e-05  2.5973000000e-03  4.3557000000e-03  2.8101000000e-03  1.8667000000e-03  4.1539000000e-03  8.3224000000e-03 -1.2300000000e-03  4.9284000000e-03  1.1061000000e-03  2.5731000000e-03 -4.0833000000e-03  2.3530000000e-03
-
-JOB 1
-COORDS  6.5282300000e-01  4.0414400000e-01  1.0837670000e+00  1.5327870000e+00  3.8269800000e-01  7.0768900000e-01  6.5949500000e-01 -2.8367200000e-01  1.7494220000e+00 -7.0327900000e-01 -3.6803600000e-01 -1.1695310000e+00  5.6387000000e-02 -2.0710300000e-01 -6.0985200000e-01 -1.4330050000e+00 -4.7362900000e-01 -5.5913600000e-01
-ENERGY -1.526554951729e+02
-FORCES  1.4060000000e-04 -2.9016000000e-03 -4.8550000000e-04 -7.7234000000e-03 -2.1620000000e-03 -1.5652000000e-03 -6.2600000000e-04  3.4198000000e-03 -4.3239000000e-03  3.7829000000e-03  5.4044000000e-03  1.6258600000e-02  4.1604000000e-03 -2.5089000000e-03 -7.1708000000e-03  2.6550000000e-04 -1.2518000000e-03 -2.7132000000e-03
-
-JOB 2
-COORDS -7.3377100000e-01 -9.2062400000e-01 -5.9914000000e-01 -8.2900400000e-01 -1.2758110000e+00  2.8460500000e-01 -1.5879220000e+00 -1.0612700000e+00 -1.0076450000e+00  7.7530600000e-01  9.3326000000e-01  6.2964500000e-01  2.8601400000e-01  7.0447300000e-01 -1.6059700000e-01  1.5064260000e+00  1.4643010000e+00  3.1390600000e-01
-ENERGY -1.526602753947e+02
-FORCES  1.8790000000e-04 -5.3180000000e-04  6.2133000000e-03 -1.5019000000e-03  8.1880000000e-04 -5.6016000000e-03  3.8920000000e-03  9.8360000000e-04  2.4868000000e-03 -4.3692000000e-03 -5.2912000000e-03 -7.0759000000e-03  5.0437000000e-03  6.3731000000e-03  4.6584000000e-03 -3.2524000000e-03 -2.3524000000e-03 -6.8110000000e-04
-
-JOB 3
-COORDS -3.2879000000e-02  9.8946900000e-01  8.4461100000e-01  6.9767000000e-01  1.2040610000e+00  1.4246810000e+00 -5.2112800000e-01  1.8084770000e+00  7.6052100000e-01  1.4130000000e-03 -1.0562430000e+00 -9.3433500000e-01 -6.4209000000e-02 -1.6507130000e+00 -1.8698500000e-01  3.9081500000e-01 -2.5960000000e-01 -5.7383900000e-01
-ENERGY -1.526574687667e+02
-FORCES -2.4394000000e-03  5.3220000000e-04 -1.9035000000e-03 -3.4685000000e-03 -2.1855000000e-03 -4.1142000000e-03  3.2451000000e-03 -3.7242000000e-03  1.3045000000e-03 -1.3374000000e-03  9.6570000000e-03  1.2440000000e-02  6.9810000000e-04  1.2950000000e-04 -2.5878000000e-03  3.3022000000e-03 -4.4091000000e-03 -5.1390000000e-03
-
-JOB 4
-COORDS -5.7434300000e-01  8.5423900000e-01 -9.3216000000e-01 -4.2533400000e-01  2.6738000000e-02 -4.7469900000e-01 -1.4111770000e+00  7.3313500000e-01 -1.3807970000e+00  5.7158900000e-01 -7.4372500000e-01  9.5102200000e-01  1.4245020000e+00 -9.7058900000e-01  1.3215670000e+00  4.3964700000e-01 -1.3780470000e+00  2.4642300000e-01
-ENERGY -1.526507042953e+02
-FORCES  2.0287000000e-03 -3.2344000000e-03  7.2533000000e-03 -1.1992000000e-03 -6.4344000000e-03 -5.6882000000e-03  3.7926000000e-03 -1.2985000000e-03  2.8709000000e-03  4.0430000000e-03  1.1947000000e-03 -3.2036000000e-03 -4.3091000000e-03  2.5700000000e-04 -1.3298000000e-03 -4.3559000000e-03  9.5156000000e-03  9.7400000000e-05
-
-JOB 5
-COORDS -9.2019000000e-01  7.2689300000e-01  8.2577900000e-01 -1.7906600000e-01  5.9998000000e-01  2.3344400000e-01 -1.5363510000e+00  3.2904000000e-02  5.9135100000e-01  8.8286600000e-01 -6.2536400000e-01 -7.6721900000e-01  9.0717700000e-01 -1.1868690000e+00 -1.5420430000e+00  1.4528820000e+00 -1.0635490000e+00 -1.3531100000e-01
-ENERGY -1.526592121110e+02
-FORCES  5.7603000000e-03 -8.5591000000e-03 -1.0036300000e-02 -1.3272000000e-03  4.1700000000e-03  5.7332000000e-03 -1.3200000000e-05  2.0320000000e-03  1.7417000000e-03 -1.6912000000e-03 -9.6990000000e-04  1.7610000000e-03  2.4870000000e-04  1.2198000000e-03  4.5720000000e-03 -2.9774000000e-03  2.1072000000e-03 -3.7717000000e-03
-
-JOB 6
-COORDS -1.1761810000e+00 -7.8443100000e-01 -1.6676500000e-01 -9.4280600000e-01  8.8048000000e-02  1.5032600000e-01 -7.5625300000e-01 -8.4829100000e-01 -1.0245610000e+00  1.1139230000e+00  6.9876300000e-01  2.4399600000e-01  1.4039880000e+00  1.6107220000e+00  2.6460800000e-01  1.2705790000e+00  4.1741700000e-01 -6.5741200000e-01
-ENERGY -1.526538048437e+02
-FORCES  1.0378900000e-02  7.7775000000e-03  1.3400000000e-03 -6.0269000000e-03 -2.5433000000e-03 -2.4070000000e-03  2.9610000000e-04  2.2620000000e-04  1.8980000000e-03  1.8049000000e-03 -2.0563000000e-03 -3.9353000000e-03 -3.2039000000e-03 -4.7975000000e-03 -2.2750000000e-04 -3.2492000000e-03  1.3934000000e-03  3.3318000000e-03
-
-JOB 7
-COORDS -3.6241000000e-02 -6.9627200000e-01  1.1503240000e+00  4.2280700000e-01 -1.4791980000e+00  8.4613000000e-01 -8.9605500000e-01 -1.0140740000e+00  1.4259210000e+00  2.7052000000e-02  7.7461500000e-01 -1.2146390000e+00 -2.0639700000e-01  1.1799300000e-01 -5.5845300000e-01  7.5035200000e-01  1.2617350000e+00 -8.1994600000e-01
-ENERGY -1.526592638580e+02
-FORCES -3.6340000000e-04 -2.0671000000e-03  4.0210000000e-04 -3.5223000000e-03  5.5132000000e-03 -3.4090000000e-04  4.6653000000e-03  1.6202000000e-03 -3.2165000000e-03  1.4053000000e-03 -4.5511000000e-03  1.4712700000e-02 -1.0138000000e-03  2.3080000000e-04 -9.0121000000e-03 -1.1711000000e-03 -7.4600000000e-04 -2.5453000000e-03
-
-JOB 8
-COORDS  7.7063300000e-01 -7.8467500000e-01 -8.5442800000e-01  1.3808580000e+00 -1.4924600000e+00 -6.4731000000e-01  2.8530000000e-03 -9.6316200000e-01 -3.1139200000e-01 -7.0034900000e-01  8.0230000000e-01  7.9912000000e-01 -1.3329290000e+00  1.1270570000e+00  1.5833300000e-01 -1.0982290000e+00  9.9507900000e-01  1.6480950000e+00
-ENERGY -1.526547775352e+02
-FORCES -3.7281000000e-03  2.3121000000e-03  8.3779000000e-03 -2.4367000000e-03  2.8554000000e-03  3.2990000000e-04  1.9433000000e-03 -3.6886000000e-03 -6.0426000000e-03 -8.7730000000e-04  3.2404000000e-03 -2.0980000000e-03  2.4948000000e-03 -3.2500000000e-03  3.5906000000e-03  2.6040000000e-03 -1.4693000000e-03 -4.1578000000e-03
-
-JOB 9
-COORDS -1.3065190000e+00 -3.9958600000e-01 -4.6187900000e-01 -3.8467900000e-01 -1.6412100000e-01 -3.5700500000e-01 -1.3872010000e+00 -1.2508820000e+00 -3.1742000000e-02  1.2121220000e+00  4.3334100000e-01  3.9390500000e-01  1.8909350000e+00 -2.3882000000e-01  4.5426700000e-01  1.4463600000e+00  1.0721180000e+00  1.0672010000e+00
-ENERGY -1.526597307023e+02
-FORCES  1.0894700000e-02  2.2030000000e-03  5.5884000000e-03 -6.6089000000e-03 -4.5281000000e-03 -4.4696000000e-03  7.9930000000e-04  2.2089000000e-03 -1.2346000000e-03 -1.9655000000e-03  1.0773000000e-03  2.7237000000e-03 -4.1809000000e-03  2.9228000000e-03  2.2250000000e-04  1.0613000000e-03 -3.8840000000e-03 -2.8305000000e-03
-
-JOB 10
-COORDS -1.4028810000e+00  2.8042000000e-02  4.7483000000e-02 -1.1947460000e+00 -1.7915500000e-01  9.5851500000e-01 -1.6643740000e+00  9.4867500000e-01  6.4456000000e-02  1.4225370000e+00 -1.3218000000e-01 -9.5244000000e-02  6.2989100000e-01  1.4674900000e-01 -5.5365500000e-01  1.8527910000e+00  6.8428900000e-01  1.5870700000e-01
-ENERGY -1.526580660805e+02
-FORCES  1.9058000000e-03 -8.3900000000e-05  6.9778000000e-03 -2.7403000000e-03  2.1727000000e-03 -4.2569000000e-03  3.7885000000e-03 -3.9100000000e-03 -7.5700000000e-04 -8.5825000000e-03  3.0543000000e-03 -2.1537000000e-03  8.6976000000e-03  1.3420000000e-03  5.0560000000e-04 -3.0690000000e-03 -2.5750000000e-03 -3.1580000000e-04
-
-JOB 11
-COORDS -5.6404700000e-01 -2.0937100000e-01 -1.2606430000e+00  2.7710500000e-01 -1.0004000000e-01 -1.7041990000e+00 -1.0111040000e+00  6.2795700000e-01 -1.3841480000e+00  5.9863200000e-01  1.2636700000e-01  1.2881960000e+00 -1.3625300000e-01  1.6025300000e-01  6.7580200000e-01  3.2531100000e-01  6.7717400000e-01  2.0217760000e+00
-ENERGY -1.526587422062e+02
-FORCES  5.6337000000e-03  2.2234000000e-03 -3.3039000000e-03 -5.1977000000e-03 -5.7400000000e-05  1.1704000000e-03  2.7901000000e-03 -3.8802000000e-03  4.1330000000e-03 -5.6169000000e-03 -1.7021000000e-03 -6.4033000000e-03  2.9094000000e-03  4.8693000000e-03  8.7391000000e-03 -5.1850000000e-04 -1.4530000000e-03 -4.3352000000e-03
-
-JOB 12
-COORDS -3.4466700000e-01  3.5591600000e-01 -1.2593860000e+00  4.1272300000e-01  3.7846000000e-01 -1.8442640000e+00 -1.0928820000e+00  5.3595200000e-01 -1.8285910000e+00  3.2751400000e-01 -3.5607000000e-01  1.3816860000e+00  1.2194240000e+00 -6.3223400000e-01  1.1708270000e+00 -1.1920000000e-01 -3.2115800000e-01  5.3583800000e-01
-ENERGY -1.526593828930e+02
-FORCES  1.2431000000e-03  9.2890000000e-04 -9.3030000000e-04 -3.9636000000e-03 -3.4580000000e-04  2.2822000000e-03  4.2916000000e-03 -5.7940000000e-04  1.9716000000e-03 -9.7040000000e-04  2.1071000000e-03 -1.1514400000e-02 -2.1777000000e-03  1.0061000000e-03  3.6680000000e-04  1.5771000000e-03 -3.1169000000e-03  7.8242000000e-03
-
-JOB 13
-COORDS  5.8776800000e-01 -1.0128140000e+00 -8.5864500000e-01  3.3363200000e-01 -6.7444600000e-01 -6.8000000000e-05 -1.3702800000e-01 -1.5825180000e+00 -1.1162130000e+00 -6.0247300000e-01  1.0325950000e+00  8.0703500000e-01 -2.4741400000e-01  6.2296700000e-01  1.5959390000e+00  1.6880800000e-01  1.3122490000e+00  3.1393100000e-01
-ENERGY -1.526548872418e+02
-FORCES -9.6072000000e-03  3.0167000000e-03  4.3077000000e-03  6.6975000000e-03 -6.4420000000e-04 -3.3290000000e-04  3.1297000000e-03  1.3129000000e-03  8.2580000000e-04  4.4091000000e-03  2.7664000000e-03 -1.3376000000e-03 -9.9740000000e-04 -1.9297000000e-03 -7.3290000000e-03 -3.6317000000e-03 -4.5221000000e-03  3.8660000000e-03
-
-JOB 14
-COORDS -1.2450370000e+00  5.0101900000e-01  6.2165100000e-01 -3.4519500000e-01  6.3331000000e-01  3.2329500000e-01 -1.2084140000e+00 -2.9770600000e-01  1.1478910000e+00  1.1136640000e+00 -4.6922700000e-01 -5.9771700000e-01  1.5236690000e+00  3.7031500000e-01 -8.0579800000e-01  1.7013180000e+00 -1.1235030000e+00 -9.7562900000e-01
-ENERGY -1.526550461159e+02
-FORCES  9.1543000000e-03 -8.6578000000e-03 -2.8112000000e-03 -5.3560000000e-04  6.3258000000e-03  3.9190000000e-04 -2.2846000000e-03  2.6908000000e-03 -1.4380000000e-04  9.3810000000e-04 -3.5480000000e-04 -2.2105000000e-03 -4.7731000000e-03 -3.3004000000e-03  3.2465000000e-03 -2.4991000000e-03  3.2964000000e-03  1.5271000000e-03
-
-JOB 15
-COORDS -1.0495110000e+00 -7.8086800000e-01 -5.6638600000e-01 -1.1854160000e+00 -1.1554710000e+00  3.0392100000e-01 -1.7002230000e+00 -8.1853000000e-02 -6.3107300000e-01  1.1121290000e+00  7.9937700000e-01  5.8245000000e-01  5.4613300000e-01  2.9875000000e-02  5.2123600000e-01  1.3590560000e+00  9.8829600000e-01 -3.2285000000e-01
-ENERGY -1.526569203793e+02
-FORCES -4.4783000000e-03  3.6501000000e-03  2.2274000000e-03  4.9228000000e-03  4.2893000000e-03 -3.4941000000e-03  3.1012000000e-03 -3.9420000000e-03  1.4080000000e-04 -6.0847000000e-03 -6.1120000000e-03 -9.4233000000e-03  2.1084000000e-03  8.3880000000e-04  7.2947000000e-03  4.3050000000e-04  1.2758000000e-03  3.2546000000e-03
-
-JOB 16
-COORDS -9.9570900000e-01 -3.0524200000e-01  9.0722700000e-01 -1.8366930000e+00  4.9708000000e-02  1.1953040000e+00 -9.7683000000e-01 -1.1945800000e+00  1.2607170000e+00  1.0832350000e+00  2.8385600000e-01 -9.5433300000e-01  5.3382900000e-01  4.9539300000e-01 -1.9959000000e-01  9.3656500000e-01  1.0042130000e+00 -1.5673630000e+00
-ENERGY -1.526592596025e+02
-FORCES -1.0859000000e-03 -3.8530000000e-03  1.1770000000e-04  3.6766000000e-03 -1.9007000000e-03 -1.5063000000e-03 -1.5446000000e-03  4.3583000000e-03 -5.9820000000e-04 -7.6854000000e-03  6.9160000000e-04  4.6326000000e-03  6.8927000000e-03  2.8355000000e-03 -5.0706000000e-03 -2.5340000000e-04 -2.1317000000e-03  2.4249000000e-03
-
-JOB 17
-COORDS -1.4285400000e-01 -7.0389000000e-01 -1.3346970000e+00 -1.0818460000e+00 -8.0701600000e-01 -1.1801350000e+00  1.4979600000e-01 -1.0779600000e-01 -6.4530600000e-01  1.9452300000e-01  6.2517900000e-01  1.2319610000e+00  3.1252000000e-02  4.6755800000e-01  2.1618700000e+00  1.4894100000e-01  1.5766850000e+00  1.1382090000e+00
-ENERGY -1.526594391280e+02
-FORCES -1.7846000000e-03  3.2941000000e-03  1.0343400000e-02  2.2661000000e-03 -1.5470000000e-04 -1.5225000000e-03  1.6100000000e-05  4.1800000000e-05 -8.2901000000e-03 -7.7380000000e-04 -2.4270000000e-04  3.8155000000e-03  4.0050000000e-04  2.4182000000e-03 -3.7998000000e-03 -1.2440000000e-04 -5.3568000000e-03 -5.4650000000e-04
-
-JOB 18
-COORDS  1.7421800000e-01 -3.7565700000e-01 -1.3415870000e+00  4.0307800000e-01 -1.2285730000e+00 -1.7108960000e+00  2.3926400000e-01  2.3061600000e-01 -2.0794450000e+00 -2.1491200000e-01  4.5419000000e-01  1.4133020000e+00  2.9290900000e-01  6.8659000000e-02  6.9935900000e-01 -3.2533800000e-01 -2.5928100000e-01  2.0417900000e+00
-ENERGY -1.526589985844e+02
-FORCES -7.4070000000e-04  9.8930000000e-04 -4.2077000000e-03 -1.0118000000e-03  4.0382000000e-03  2.0927000000e-03 -6.2300000000e-05 -3.8107000000e-03  2.6073000000e-03  1.1694000000e-03 -4.9016000000e-03 -6.9062000000e-03  7.9500000000e-05  1.8685000000e-03  9.0382000000e-03  5.6600000000e-04  1.8162000000e-03 -2.6242000000e-03
-
-JOB 19
-COORDS -4.3243400000e-01 -1.3841860000e+00  4.4945500000e-01  1.5415800000e-01 -8.2756200000e-01 -6.2708000000e-02 -1.2485300000e+00 -1.3969610000e+00 -5.0600000000e-02  4.7259200000e-01  1.3095440000e+00 -3.4245300000e-01 -2.9977200000e-01  1.1987490000e+00 -8.9689900000e-01  8.2864000000e-01  2.1615940000e+00 -5.9438800000e-01
-ENERGY -1.526555531834e+02
-FORCES  2.0501000000e-03  5.4596000000e-03 -2.6567000000e-03 -5.4750000000e-03 -5.2240000000e-03 -4.3460000000e-04  3.1379000000e-03  1.4375000000e-03  1.2446000000e-03 -1.5155000000e-03  4.3689000000e-03 -1.5536000000e-03  4.4972000000e-03 -2.4759000000e-03  2.1424000000e-03 -2.6946000000e-03 -3.5662000000e-03  1.2580000000e-03
-
-JOB 20
-COORDS -7.8967000000e-02  1.1185980000e+00 -1.0514530000e+00 -1.0542900000e-01  2.1050300000e-01 -7.4996400000e-01 -8.8755900000e-01  1.5062880000e+00 -7.1662800000e-01  7.0851000000e-02 -1.0984820000e+00  1.0013420000e+00  8.7950500000e-01 -1.5737460000e+00  8.1046700000e-01  3.4616300000e-01 -3.7046400000e-01  1.5584990000e+00
-ENERGY -1.526601151646e+02
-FORCES -4.1333000000e-03 -6.5633000000e-03  5.0364000000e-03  1.6596000000e-03  6.6761000000e-03 -5.4905000000e-03  3.1499000000e-03 -6.0640000000e-04 -6.5180000000e-04  5.2706000000e-03  1.2270000000e-03  4.2350000000e-03 -4.0916000000e-03  3.0387000000e-03 -1.1630000000e-04 -1.8551000000e-03 -3.7720000000e-03 -3.0128000000e-03
-
-JOB 21
-COORDS  4.0401100000e-01  1.3008000000e-02 -1.5295550000e+00  6.3352600000e-01 -8.2358400000e-01 -1.1249940000e+00  1.1412800000e-01  5.6081700000e-01 -8.0010000000e-01 -4.3391600000e-01 -2.9720000000e-02  1.4137770000e+00 -5.4356400000e-01  9.0147100000e-01  1.6063710000e+00  2.5762000000e-01 -3.1817800000e-01  2.0094290000e+00
-ENERGY -1.526571362491e+02
-FORCES -2.7796000000e-03 -3.0196000000e-03  1.0236100000e-02  1.2519000000e-03  1.4453000000e-03 -3.4457000000e-03  1.4720000000e-03  3.1457000000e-03 -5.0890000000e-03  1.7749000000e-03  1.5940000000e-03  4.9176000000e-03  1.4492000000e-03 -4.3339000000e-03 -3.2482000000e-03 -3.1684000000e-03  1.1685000000e-03 -3.3709000000e-03
-
-JOB 22
-COORDS -9.7632100000e-01 -1.0273090000e+00  5.9020300000e-01 -6.6272100000e-01 -4.5113500000e-01 -1.0687000000e-01 -1.5263460000e+00 -1.6694760000e+00  1.4151000000e-01  9.3999400000e-01  1.0162560000e+00 -4.8640900000e-01  1.2619710000e+00  4.3627400000e-01 -1.1764700000e+00  1.4413840000e+00  1.8239070000e+00 -5.9838700000e-01
-ENERGY -1.526567967039e+02
-FORCES  7.2580000000e-04  3.6496000000e-03 -3.4326000000e-03 -2.9945000000e-03 -7.4486000000e-03  3.9780000000e-04  2.8534000000e-03  2.8101000000e-03  1.0233000000e-03  4.8501000000e-03  2.9065000000e-03 -1.2298000000e-03 -4.1928000000e-03  2.0979000000e-03  3.1941000000e-03 -1.2420000000e-03 -4.0155000000e-03  4.7100000000e-05
-
-JOB 23
-COORDS  6.9221000000e-02  1.5009570000e+00  1.0792000000e-02  7.3016000000e-01  2.0898980000e+00  3.7485200000e-01  3.9722000000e-01  1.2819550000e+00 -8.6138200000e-01 -1.8922300000e-01 -1.5354780000e+00  3.0550000000e-03  5.2113600000e-01 -2.1372170000e+00  2.2561600000e-01  1.8013900000e-01 -6.6429400000e-01  1.4742000000e-01
-ENERGY -1.526586021632e+02
-FORCES  2.1306000000e-03  5.6729000000e-03 -2.8043000000e-03 -2.9016000000e-03 -3.3019000000e-03 -2.0574000000e-03 -5.8130000000e-04 -1.4907000000e-03  6.6609000000e-03  2.4926000000e-03  4.7755000000e-03  3.3501000000e-03 -2.1666000000e-03  3.0600000000e-03 -8.2760000000e-04  1.0263000000e-03 -8.7159000000e-03 -4.3217000000e-03
-
-JOB 24
-COORDS -2.5084800000e-01  1.5290470000e+00  2.2110500000e-01  5.5195700000e-01  2.0036750000e+00  4.3666200000e-01  5.1269000000e-02  6.7733400000e-01 -9.4400000000e-02  1.2966900000e-01 -1.5239240000e+00 -2.0283500000e-01  8.8687200000e-01 -1.4139610000e+00  3.7230200000e-01  4.6886500000e-01 -1.3531280000e+00 -1.0814740000e+00
-ENERGY -1.526560182126e+02
-FORCES  2.0866000000e-03 -5.3802000000e-03 -4.2450000000e-04 -2.5687000000e-03 -3.1987000000e-03 -8.6630000000e-04  2.7715000000e-03  8.2335000000e-03 -2.4540000000e-04  3.9857000000e-03 -4.3804000000e-03 -5.1970000000e-04 -4.2324000000e-03  2.2546000000e-03 -3.8518000000e-03 -2.0427000000e-03  2.4712000000e-03  5.9078000000e-03
-
-JOB 25
-COORDS -1.5988940000e+00  6.9918000000e-02 -1.1752600000e-01 -1.2573020000e+00 -8.1683200000e-01 -2.5420000000e-03 -8.2652800000e-01  6.0153600000e-01 -3.1004900000e-01  1.5270310000e+00 -1.0536000000e-02  8.0163000000e-02  1.4411600000e+00 -9.6323500000e-01  4.5204000000e-02  1.8789730000e+00  1.6685400000e-01  9.5246000000e-01
-ENERGY -1.526573870372e+02
-FORCES  9.1598000000e-03 -6.0810000000e-04 -2.4600000000e-05 -1.6766000000e-03  1.1476000000e-03 -1.9940000000e-04 -6.9893000000e-03 -4.2550000000e-04 -2.2240000000e-04  2.6363000000e-03 -3.3585000000e-03  4.3611000000e-03 -1.4896000000e-03  4.3644000000e-03  2.3570000000e-04 -1.6406000000e-03 -1.1198000000e-03 -4.1503000000e-03
-
-JOB 26
-COORDS  1.0611480000e+00 -2.4467400000e-01  1.1476890000e+00  3.3113400000e-01 -7.0736900000e-01  7.3632000000e-01  1.8350710000e+00 -5.4632800000e-01  6.7199900000e-01 -1.1000030000e+00  2.3782800000e-01 -1.0707050000e+00 -5.7962300000e-01  2.8988000000e-01 -1.8724080000e+00 -1.0186800000e+00  1.1056230000e+00 -6.7504100000e-01
-ENERGY -1.526584815594e+02
-FORCES -2.5939000000e-03 -3.4983000000e-03 -5.8323000000e-03  5.3805000000e-03  7.0800000000e-04  4.9240000000e-03 -2.6737000000e-03  1.4320000000e-03  1.4393000000e-03  3.1372000000e-03  6.0704000000e-03 -1.4195000000e-03 -1.8767000000e-03 -6.7860000000e-04  3.4840000000e-03 -1.3734000000e-03 -4.0335000000e-03 -2.5955000000e-03
-
-JOB 27
-COORDS -1.3175920000e+00  7.4480600000e-01  3.6008800000e-01 -3.8295500000e-01  9.4556700000e-01  4.0888600000e-01 -1.6720310000e+00  1.0474420000e+00  1.1961600000e+00  1.3098370000e+00 -7.2756700000e-01 -4.4992000000e-01  3.8507200000e-01 -9.7462300000e-01 -4.4774700000e-01  1.7266310000e+00 -1.3526530000e+00  1.4319300000e-01
-ENERGY -1.526597129584e+02
-FORCES  3.1497000000e-03  3.6305000000e-03  3.3789000000e-03 -7.0499000000e-03 -1.7147000000e-03  3.6490000000e-04  1.9722000000e-03 -1.1194000000e-03 -3.1647000000e-03 -2.8470000000e-03 -5.6054000000e-03  1.1859000000e-03  6.6721000000e-03  2.1062000000e-03  4.2730000000e-04 -1.8972000000e-03  2.7027000000e-03 -2.1924000000e-03
-
-JOB 28
-COORDS  9.4533500000e-01 -5.3683400000e-01 -1.0795800000e+00  7.9173100000e-01  3.3574600000e-01 -1.4418530000e+00  6.5384700000e-01 -1.1365290000e+00 -1.7663350000e+00 -9.0908300000e-01  5.4809600000e-01  1.0927920000e+00 -3.3740600000e-01 -1.0763100000e-01  1.4920910000e+00 -1.6468390000e+00  6.2373800000e-01  1.6979580000e+00
-ENERGY -1.526558569528e+02
-FORCES -4.4054000000e-03  3.0895000000e-03 -3.4026000000e-03  2.3276000000e-03 -4.0152000000e-03 -2.2100000000e-04  1.2545000000e-03  2.1453000000e-03  2.6251000000e-03  1.7507000000e-03 -4.1090000000e-03  2.8663000000e-03 -3.8648000000e-03  3.6709000000e-03  1.1641000000e-03  2.9375000000e-03 -7.8150000000e-04 -3.0318000000e-03
-
-JOB 29
-COORDS  1.7041400000e-01 -7.0810400000e-01 -1.3196120000e+00 -4.8410500000e-01 -4.4033600000e-01 -1.9646990000e+00  1.0087620000e+00 -5.9707000000e-01 -1.7680270000e+00 -2.2252600000e-01  6.5470500000e-01  1.4262840000e+00  2.4023200000e-01  1.4774880000e+00  1.5847610000e+00  5.6803000000e-02  3.8704600000e-01  5.5074600000e-01
-ENERGY -1.526604310220e+02
-FORCES -3.5050000000e-04 -1.0578000000e-03 -6.7470000000e-03  3.8920000000e-03 -1.0093000000e-03  2.8362000000e-03 -4.2209000000e-03  4.2350000000e-04  2.5687000000e-03  2.6315000000e-03 -1.2299000000e-03 -6.2157000000e-03 -1.2735000000e-03 -2.9404000000e-03 -1.3143000000e-03 -6.7860000000e-04  5.8139000000e-03  8.8721000000e-03
-
-JOB 30
-COORDS -1.1502760000e+00 -9.7315500000e-01 -2.3058300000e-01 -1.9630950000e+00 -4.7046200000e-01 -2.8402400000e-01 -1.2983230000e+00 -1.5936370000e+00  4.8308000000e-01  1.2365620000e+00  1.0360660000e+00  1.9445000000e-01  1.4250780000e+00  2.5439200000e-01 -3.2485700000e-01  4.7816900000e-01  7.9396000000e-01  7.2591700000e-01
-ENERGY -1.526578109331e+02
-FORCES -5.5043000000e-03 -1.2172000000e-03  4.4060000000e-04  3.9785000000e-03 -2.3018000000e-03  1.2211000000e-03  1.4608000000e-03  3.8422000000e-03 -2.7654000000e-03 -6.0581000000e-03 -7.5840000000e-03 -1.8987000000e-03  2.5825000000e-03  3.5116000000e-03  1.7139000000e-03  3.5406000000e-03  3.7491000000e-03  1.2884000000e-03
-
-JOB 31
-COORDS  7.3742600000e-01 -6.5821700000e-01 -1.1360230000e+00  1.5451690000e+00 -1.7461900000e-01 -9.6305800000e-01  9.9264200000e-01 -1.3354540000e+00 -1.7624780000e+00 -8.1683500000e-01  6.2397500000e-01  1.2134240000e+00 -8.2257600000e-01  5.2885800000e-01  2.6097900000e-01 -5.8019400000e-01  1.5395250000e+00  1.3617510000e+00
-ENERGY -1.526574598603e+02
-FORCES  5.1076000000e-03 -2.2810000000e-03 -8.1570000000e-04 -3.7476000000e-03 -1.4752000000e-03 -1.7982000000e-03 -4.0710000000e-04  2.9732000000e-03  2.9019000000e-03  1.2599000000e-03  4.3340000000e-04 -5.6365000000e-03 -2.2388000000e-03  3.9365000000e-03  6.1853000000e-03  2.6000000000e-05 -3.5868000000e-03 -8.3680000000e-04
-
-JOB 32
-COORDS -6.3279000000e-02 -2.5422200000e-01  1.5762580000e+00 -2.2603300000e-01 -2.6350300000e-01  6.3304200000e-01 -9.3044600000e-01 -1.5196500000e-01  1.9684290000e+00  6.6914000000e-02  2.8142900000e-01 -1.5343410000e+00  2.9074000000e-01 -2.9899900000e-01 -2.2618280000e+00  8.4993800000e-01  2.8918100000e-01 -9.8384600000e-01
-ENERGY -1.526586329177e+02
-FORCES -6.2045000000e-03  7.2550000000e-04 -3.9249000000e-03  5.5963000000e-03  3.9950000000e-04  6.3046000000e-03  3.1364000000e-03 -6.8860000000e-04 -1.1029000000e-03  5.5132000000e-03 -1.0329000000e-03 -4.3311000000e-03 -7.0650000000e-04  2.9980000000e-03  3.3306000000e-03 -7.3350000000e-03 -2.4016000000e-03 -2.7630000000e-04
-
-JOB 33
-COORDS  3.2868400000e-01  1.4946230000e+00 -2.8466100000e-01  7.4241300000e-01  1.6739970000e+00  5.5966500000e-01 -4.8015900000e-01  2.0062500000e+00 -2.6908200000e-01 -2.4493200000e-01 -1.5324280000e+00  2.5213800000e-01 -9.8282600000e-01 -1.5195370000e+00  8.6171100000e-01 -6.4676700000e-01 -1.4514120000e+00 -6.1284600000e-01
-ENERGY -1.526523080802e+02
-FORCES -4.9460000000e-04 -1.5300000000e-05  5.2804000000e-03 -1.7753000000e-03  8.0200000000e-04 -3.4802000000e-03  2.6682000000e-03 -2.9700000000e-03 -3.0610000000e-04 -3.7025000000e-03  4.4246000000e-03 -2.9776000000e-03  2.8768000000e-03  1.7140000000e-04 -1.9161000000e-03  4.2750000000e-04 -2.4127000000e-03  3.3997000000e-03
-
-JOB 34
-COORDS  6.5759100000e-01  1.3270420000e+00  7.8932100000e-01 -2.4080800000e-01  1.1701130000e+00  4.9865900000e-01  1.0417970000e+00  4.5349800000e-01  8.6373800000e-01 -5.6790800000e-01 -1.3112240000e+00 -7.6026800000e-01 -1.4708480000e+00 -1.5199300000e+00 -5.2074200000e-01 -6.3094100000e-01 -4.8219000000e-01 -1.2345690000e+00
-ENERGY -1.526561168761e+02
-FORCES -2.1784000000e-03 -7.3461000000e-03 -1.4010000000e-04  2.2284000000e-03  2.1861000000e-03 -9.6710000000e-04  7.2900000000e-05  5.4050000000e-03  5.0630000000e-04 -4.2035000000e-03  6.8760000000e-04 -3.1718000000e-03  4.2782000000e-03  1.9264000000e-03 -6.8710000000e-04 -1.9750000000e-04 -2.8589000000e-03  4.4598000000e-03
-
-JOB 35
-COORDS  1.3115570000e+00 -6.5621700000e-01  5.6139400000e-01  2.0942520000e+00 -5.1339200000e-01  1.0935790000e+00  8.2749400000e-01 -1.3395410000e+00  1.0250560000e+00 -1.3268640000e+00  7.5062100000e-01 -6.3329300000e-01 -5.6003200000e-01  2.2343800000e-01 -4.0906300000e-01 -2.0637000000e+00  1.4340800000e-01 -5.6550200000e-01
-ENERGY -1.526585819278e+02
-FORCES  4.3899000000e-03 -9.7430000000e-04  5.3718000000e-03 -3.2801000000e-03 -1.9707000000e-03 -1.8079000000e-03  8.7400000000e-04  3.8278000000e-03 -3.1038000000e-03  3.6131000000e-03 -4.0937000000e-03  1.5249000000e-03 -8.6449000000e-03  1.5177000000e-03 -2.3054000000e-03  3.0481000000e-03  1.6933000000e-03  3.2030000000e-04
-
-JOB 36
-COORDS -1.3837300000e-01  3.9571100000e-01 -1.6207160000e+00 -3.4233400000e-01  1.2240960000e+00 -1.1866540000e+00  5.4935600000e-01  5.1920000000e-03 -1.0814990000e+00  1.4765700000e-01 -4.3144800000e-01  1.6213460000e+00 -2.3259000000e-02 -1.0613670000e+00  9.2118800000e-01 -3.0933900000e-01  3.6326800000e-01  1.3460040000e+00
-ENERGY -1.526545730341e+02
-FORCES  3.8599000000e-03  3.2353000000e-03  2.9217000000e-03 -2.2500000000e-05 -4.2183000000e-03 -5.9240000000e-04 -5.1491000000e-03 -1.1300000000e-05 -1.8123000000e-03 -5.5045000000e-03 -3.5780000000e-04 -3.1760000000e-03  3.3947000000e-03  3.3876000000e-03  2.2330000000e-03  3.4215000000e-03 -2.0355000000e-03  4.2600000000e-04
-
-JOB 37
-COORDS -5.7233500000e-01  1.4744160000e+00 -5.1924000000e-02 -1.2288660000e+00  1.7177730000e+00 -7.0459300000e-01 -3.5820700000e-01  2.2956000000e+00  3.9083600000e-01  6.4440600000e-01 -1.5327910000e+00  6.4417000000e-02  5.4893000000e-02 -2.2832890000e+00  1.3830000000e-01  6.4311000000e-02 -7.8530800000e-01 -8.0466000000e-02
-ENERGY -1.526593330373e+02
-FORCES -4.3050000000e-04  6.6335000000e-03  4.1640000000e-04  2.8089000000e-03 -1.5613000000e-03  3.0501000000e-03 -1.9419000000e-03 -2.6794000000e-03 -2.6114000000e-03 -4.6822000000e-03  3.4014000000e-03  2.3770000000e-04  1.8034000000e-03  2.8948000000e-03 -4.5020000000e-04  2.4424000000e-03 -8.6890000000e-03 -6.4260000000e-04
-
-JOB 38
-COORDS -4.6250000000e-01  1.5123470000e+00  6.5006600000e-01 -1.1640570000e+00  2.0733160000e+00  3.1936400000e-01 -1.3423400000e-01  1.0564900000e+00 -1.2496100000e-01  5.2629200000e-01 -1.4708740000e+00 -6.0225500000e-01  8.1308400000e-01 -2.3673670000e+00 -4.2823400000e-01 -4.2833800000e-01 -1.5085540000e+00 -5.4315300000e-01
-ENERGY -1.526566026861e+02
-FORCES  9.2690000000e-04  2.1920000000e-04 -4.5033000000e-03  2.5676000000e-03 -2.8889000000e-03  1.2041000000e-03 -4.4523000000e-03  3.6694000000e-03  3.2609000000e-03 -1.7283000000e-03 -5.5890000000e-03  2.4772000000e-03 -1.6765000000e-03  3.2944000000e-03 -9.8560000000e-04  4.3626000000e-03  1.2949000000e-03 -1.4533000000e-03
-
-JOB 39
-COORDS -4.5389000000e-02  9.9514900000e-01  1.4050820000e+00  2.3641100000e-01  6.9830900000e-01  5.3980400000e-01 -2.9492000000e-01  1.9101090000e+00  1.2754140000e+00  2.5392000000e-02 -9.8094100000e-01 -1.4092770000e+00 -5.6873200000e-01 -1.4116190000e+00 -7.9465300000e-01  8.9681800000e-01 -1.2812820000e+00 -1.1511220000e+00
-ENERGY -1.526584323500e+02
-FORCES -1.7230000000e-04  2.6514000000e-03 -5.7480000000e-03 -4.5400000000e-05  1.5695000000e-03  7.0963000000e-03  9.9960000000e-04 -3.4125000000e-03  6.6820000000e-04 -1.1310000000e-04 -6.6163000000e-03  1.2315000000e-03  3.5039000000e-03  2.7835000000e-03 -2.9531000000e-03 -4.1728000000e-03  3.0244000000e-03 -2.9490000000e-04
-
-JOB 40
-COORDS -9.6610300000e-01 -2.7017500000e-01 -1.4045210000e+00 -1.6791730000e+00 -8.9696400000e-01 -1.2824600000e+00 -1.0515090000e+00  3.3667700000e-01 -6.6921900000e-01  9.4834600000e-01  2.8335400000e-01  1.3316130000e+00  1.2397530000e+00 -4.7693900000e-01  1.8348700000e+00  1.7389510000e+00  8.0963800000e-01  1.2124430000e+00
-ENERGY -1.526561299576e+02
-FORCES -1.2910000000e-03  4.4340000000e-04  5.8690000000e-03  2.6772000000e-03  2.0685000000e-03 -5.0960000000e-04 -2.3880000000e-03 -1.6894000000e-03 -5.4027000000e-03  5.4002000000e-03 -2.1687000000e-03  6.6140000000e-04 -1.0626000000e-03  3.3634000000e-03 -1.5172000000e-03 -3.3359000000e-03 -2.0172000000e-03  8.9920000000e-04
-
-JOB 41
-COORDS -1.0182690000e+00 -7.4167700000e-01 -1.2217910000e+00 -4.4945900000e-01 -2.1290000000e-03 -1.0078870000e+00 -6.3073400000e-01 -1.1224160000e+00 -2.0098810000e+00  9.5885600000e-01  7.6852700000e-01  1.2073410000e+00  7.9567400000e-01  9.2236500000e-01  2.1378990000e+00  1.2050690000e+00 -1.5505900000e-01  1.1563440000e+00
-ENERGY -1.526576865680e+02
-FORCES  3.2141000000e-03  3.3844000000e-03 -1.7833000000e-03 -2.7180000000e-03 -5.4529000000e-03 -3.2724000000e-03 -1.1024000000e-03  1.3297000000e-03  3.4909000000e-03 -4.7700000000e-05 -3.1140000000e-03  5.7430000000e-03  1.3273000000e-03 -8.0270000000e-04 -3.5987000000e-03 -6.7330000000e-04  4.6554000000e-03 -5.7950000000e-04
-
-JOB 42
-COORDS -9.3630500000e-01  9.7745700000e-01  1.0642120000e+00 -1.1756880000e+00  8.3558700000e-01  1.9800730000e+00 -1.6337080000e+00  5.5216200000e-01  5.6522900000e-01  9.8331900000e-01 -1.0025870000e+00 -1.1304720000e+00  5.1808000000e-01 -8.7164400000e-01 -3.0425200000e-01  1.5407800000e+00 -2.2931100000e-01 -1.2171530000e+00
-ENERGY -1.526579068537e+02
-FORCES -5.8961000000e-03  2.4080000000e-04  2.6702000000e-03  1.1227000000e-03  2.7900000000e-04 -4.3170000000e-03  4.3249000000e-03  9.2220000000e-04  2.6408000000e-03  3.8060000000e-04  5.5636000000e-03  4.5045000000e-03  1.4474000000e-03 -3.5398000000e-03 -4.8722000000e-03 -1.3796000000e-03 -3.4657000000e-03 -6.2630000000e-04
-
-JOB 43
-COORDS -3.3735000000e-02 -1.4194160000e+00 -9.5206700000e-01  8.6532900000e-01 -1.7478360000e+00 -9.4460000000e-01 -2.6339600000e-01 -1.3697630000e+00 -1.8799800000e+00 -2.0470000000e-03  1.4028730000e+00  9.4918200000e-01  5.0449900000e-01  2.1576560000e+00  1.2490880000e+00 -5.9344800000e-01  1.2067040000e+00  1.6758140000e+00
-ENERGY -1.526524982460e+02
-FORCES  3.4066000000e-03  7.8770000000e-04 -3.2893000000e-03 -3.6551000000e-03  5.9860000000e-04 -1.8230000000e-04  7.4560000000e-04 -5.1430000000e-04  3.6706000000e-03 -1.3073000000e-03  1.1094000000e-03  4.2871000000e-03 -1.7658000000e-03 -3.4653000000e-03 -1.7870000000e-03  2.5760000000e-03  1.4838000000e-03 -2.6991000000e-03
-
-JOB 44
-COORDS -2.8599700000e-01  1.8049040000e+00  1.5792000000e-02  4.6036600000e-01  1.6410410000e+00 -5.6068300000e-01 -3.4951200000e-01  1.0172250000e+00  5.5594000000e-01  2.0912100000e-01 -1.7110720000e+00  3.5950000000e-02  1.0653570000e+00 -1.5263510000e+00 -3.5001700000e-01 -7.3568000000e-02 -2.5231180000e+00 -3.8464500000e-01
-ENERGY -1.526564936906e+02
-FORCES  1.7890000000e-03 -6.1351000000e-03 -7.7100000000e-05 -2.0107000000e-03  1.0278000000e-03  1.8853000000e-03  7.4810000000e-04  6.0824000000e-03 -1.4165000000e-03  1.5690000000e-03 -4.7539000000e-03 -3.8547000000e-03 -3.8982000000e-03  5.0760000000e-04  1.7341000000e-03  1.8028000000e-03  3.2712000000e-03  1.7288000000e-03
-
-JOB 45
-COORDS  5.7389200000e-01 -1.6416190000e+00 -2.4419200000e-01  1.2504960000e+00 -1.1470930000e+00  2.1828300000e-01  6.7989300000e-01 -2.5410230000e+00  6.5755000000e-02 -6.6887800000e-01  1.7149530000e+00  2.0835000000e-01 -1.1606000000e-02  1.3618960000e+00  8.0799600000e-01 -5.0483500000e-01  1.2641550000e+00 -6.1996300000e-01
-ENERGY -1.526547014900e+02
-FORCES  3.0604000000e-03 -3.8025000000e-03  3.2743000000e-03 -3.6919000000e-03 -4.6650000000e-04 -1.9354000000e-03 -1.5990000000e-04  3.9417000000e-03 -1.2559000000e-03  2.2847000000e-03 -5.3316000000e-03 -1.5123000000e-03 -1.3265000000e-03  1.8165000000e-03 -1.9282000000e-03 -1.6680000000e-04  3.8425000000e-03  3.3576000000e-03
-
-JOB 46
-COORDS -1.1306270000e+00  1.4969910000e+00  3.8286000000e-02 -5.9816800000e-01  7.0173000000e-01  2.1610000000e-02 -7.3306800000e-01  2.0658520000e+00 -6.2093700000e-01  1.0704570000e+00 -1.4310360000e+00 -3.7318000000e-02  8.9600200000e-01 -1.4751080000e+00  9.0281800000e-01  1.3508010000e+00 -2.3158950000e+00 -2.7112100000e-01
-ENERGY -1.526577853782e+02
-FORCES  4.6809000000e-03 -2.0982000000e-03 -3.8485000000e-03 -3.8059000000e-03  5.1062000000e-03  2.2938000000e-03 -1.8737000000e-03 -1.5639000000e-03  2.5203000000e-03  1.8275000000e-03 -6.1417000000e-03  2.2009000000e-03 -4.1400000000e-05  1.0995000000e-03 -4.7470000000e-03 -7.8730000000e-04  3.5982000000e-03  1.5806000000e-03
-
-JOB 47
-COORDS  1.6435250000e+00  6.0148700000e-01  3.6894100000e-01  1.8423910000e+00  2.4672500000e-01  1.2354440000e+00  2.4659380000e+00  9.9375100000e-01  7.5688000000e-02 -1.7449510000e+00 -5.8532700000e-01 -3.5787700000e-01 -1.6896660000e+00 -1.6031300000e-01 -1.2137620000e+00 -1.0950280000e+00 -1.2870260000e+00 -3.9594800000e-01
-ENERGY -1.526545373915e+02
-FORCES  3.9306000000e-03  8.6190000000e-04  3.4395000000e-03 -4.0510000000e-04  1.0921000000e-03 -3.9448000000e-03 -3.6947000000e-03 -1.6886000000e-03  9.7730000000e-04  5.3068000000e-03  3.5320000000e-04 -3.4581000000e-03 -1.3822000000e-03 -2.0421000000e-03  2.7336000000e-03 -3.7553000000e-03  1.4235000000e-03  2.5240000000e-04
-
-JOB 48
-COORDS  1.6377430000e+00 -8.0226300000e-01  1.4228400000e-01  1.8124980000e+00  7.8658000000e-02  4.7345000000e-01  2.4585000000e+00 -1.0705790000e+00 -2.7074800000e-01 -1.6547020000e+00  7.0879000000e-01 -1.1741100000e-01 -2.5593620000e+00  9.2370500000e-01  1.0981700000e-01 -1.3675710000e+00  1.4345030000e+00 -6.7160200000e-01
-ENERGY -1.526527928801e+02
-FORCES  3.2111000000e-03  2.7753000000e-03  2.7480000000e-04  1.8190000000e-04 -3.4880000000e-03 -1.7157000000e-03 -3.6541000000e-03  1.0756000000e-03  1.5439000000e-03 -2.6825000000e-03  3.2907000000e-03 -1.9021000000e-03  3.9089000000e-03 -1.0533000000e-03 -9.2490000000e-04 -9.6530000000e-04 -2.6003000000e-03  2.7240000000e-03
-
-JOB 49
-COORDS  1.5151810000e+00  1.2189420000e+00 -4.1452000000e-02  1.4462480000e+00  1.6540350000e+00  8.0835600000e-01  9.8476200000e-01  4.2746000000e-01  5.0438000000e-02 -1.4729670000e+00 -1.1803110000e+00 -7.4047000000e-02 -2.2783600000e+00 -1.3188620000e+00  4.2432800000e-01 -7.7077500000e-01 -1.3936280000e+00  5.4048900000e-01
-ENERGY -1.526537344811e+02
-FORCES -3.8500000000e-03 -9.8430000000e-04  2.7466000000e-03  4.7480000000e-04 -2.0216000000e-03 -3.2503000000e-03  3.8821000000e-03  2.0636000000e-03  1.3969000000e-03 -2.6505000000e-03 -2.6703000000e-03  4.5220000000e-03  3.6022000000e-03  3.9940000000e-04 -2.2055000000e-03 -1.4587000000e-03  3.2131000000e-03 -3.2099000000e-03
-
-JOB 50
-COORDS  1.4876520000e+00 -1.1454640000e+00  1.5545300000e-01  7.8288100000e-01 -1.3627750000e+00  7.6562200000e-01  2.1341650000e+00 -1.8405870000e+00  2.7815700000e-01 -1.4679400000e+00  1.2597810000e+00 -1.6787400000e-01 -1.5172990000e+00  1.0354650000e+00 -1.0971090000e+00 -1.6403140000e+00  4.3564000000e-01  2.8743900000e-01
-ENERGY -1.526532319971e+02
-FORCES  5.2540000000e-04 -3.3503000000e-03  3.6310000000e-03  1.9084000000e-03  6.0780000000e-04 -2.9656000000e-03 -2.7849000000e-03  3.0604000000e-03 -6.3680000000e-04  3.9370000000e-04 -4.3776000000e-03 -2.8584000000e-03 -7.6420000000e-04  1.2349000000e-03  3.8387000000e-03  7.2170000000e-04  2.8248000000e-03 -1.0089000000e-03
-
-JOB 51
-COORDS -1.8345040000e+00  1.8112500000e-01  2.7828800000e-01 -2.3794620000e+00 -1.5126400000e-01 -4.3499300000e-01 -2.3297120000e+00 -1.9923000000e-02  1.0723790000e+00  1.9229220000e+00 -1.9147100000e-01 -2.3719200000e-01  2.2537660000e+00  3.9164000000e-01 -9.2038700000e-01  9.7213600000e-01 -1.7394000000e-01 -3.4642100000e-01
-ENERGY -1.526574359721e+02
-FORCES -5.9062000000e-03 -1.9408000000e-03  1.9205000000e-03  2.8522000000e-03  1.3888000000e-03  2.8759000000e-03  1.4843000000e-03  8.8020000000e-04 -3.7701000000e-03 -4.1510000000e-03  2.8572000000e-03 -2.2305000000e-03 -1.0950000000e-03 -2.3038000000e-03  2.3724000000e-03  6.8155000000e-03 -8.8170000000e-04 -1.1683000000e-03
-
-JOB 52
-COORDS  6.9646200000e-01 -8.9735100000e-01  1.5899580000e+00  1.5561880000e+00 -5.1715100000e-01  1.7703720000e+00  4.8235800000e-01 -5.9809500000e-01  7.0630800000e-01 -7.3161200000e-01  7.9601000000e-01 -1.5492490000e+00 -4.1448000000e-02  1.4280240000e+00 -1.3480920000e+00 -1.4996750000e+00  1.3331490000e+00 -1.7436520000e+00
-ENERGY -1.526561213821e+02
-FORCES  1.3914000000e-03  2.1655000000e-03 -3.8396000000e-03 -3.4081000000e-03 -1.0771000000e-03 -8.8820000000e-04  3.2071000000e-03 -1.1567000000e-03  5.5735000000e-03 -2.4183000000e-03  5.8334000000e-03 -1.4154000000e-03 -2.3955000000e-03 -3.8208000000e-03  1.9820000000e-04  3.6233000000e-03 -1.9444000000e-03  3.7150000000e-04
-
-JOB 53
-COORDS  1.6371280000e+00  2.2765100000e-01  1.1150630000e+00  1.5152590000e+00  4.1935200000e-01  2.0449180000e+00  1.0528940000e+00 -5.1095900000e-01  9.4372100000e-01 -1.5900780000e+00 -2.1536400000e-01 -1.2202240000e+00 -1.5362820000e+00  6.5933300000e-01 -8.3520100000e-01 -1.7973620000e+00 -7.8971600000e-01 -4.8307700000e-01
-ENERGY -1.526541878287e+02
-FORCES -1.8876000000e-03 -2.8960000000e-03  2.5601000000e-03  1.1800000000e-05 -6.8400000000e-04 -4.0947000000e-03  1.9551000000e-03  3.3425000000e-03  1.8511000000e-03 -1.0429000000e-03  2.3606000000e-03  3.8003000000e-03 -9.2210000000e-04 -4.2123000000e-03 -1.5168000000e-03  1.8856000000e-03  2.0892000000e-03 -2.5999000000e-03
-
-JOB 54
-COORDS -1.6101000000e+00 -4.2580200000e-01 -1.3890410000e+00 -8.5424500000e-01 -8.4717500000e-01 -1.7981370000e+00 -1.3987310000e+00 -4.0769100000e-01 -4.5564500000e-01  1.5657900000e+00  4.8888000000e-01  1.4053890000e+00  1.6599500000e+00  6.5813900000e-01  4.6799000000e-01  1.3253020000e+00 -4.3604800000e-01  1.4592820000e+00
-ENERGY -1.526536315774e+02
-FORCES  2.9577000000e-03 -1.4946000000e-03  2.1791000000e-03 -2.6431000000e-03  2.0071000000e-03  2.1568000000e-03 -3.0620000000e-04 -7.1340000000e-04 -4.4546000000e-03  8.7960000000e-04 -2.4791000000e-03 -3.0970000000e-03 -9.4100000000e-04 -1.3996000000e-03  4.0780000000e-03  5.3000000000e-05  4.0797000000e-03 -8.6230000000e-04
-
-JOB 55
-COORDS -5.4896600000e-01 -8.1566900000e-01 -1.8397790000e+00  9.8055000000e-02 -1.0190550000e+00 -2.5152270000e+00 -1.2615710000e+00 -1.4354440000e+00 -1.9956780000e+00  5.2612100000e-01  9.2911800000e-01  1.8890440000e+00  1.9549900000e-01  1.5388700000e-01  1.4352410000e+00  1.2672040000e+00  6.0848200000e-01  2.4030670000e+00
-ENERGY -1.526553705888e+02
-FORCES -3.8180000000e-04 -2.9048000000e-03 -4.6502000000e-03 -2.8022000000e-03  5.5760000000e-04  2.8717000000e-03  3.1406000000e-03  2.4878000000e-03  9.4380000000e-04  1.2108000000e-03 -4.6530000000e-03 -1.0999000000e-03  1.6443000000e-03  3.2238000000e-03  3.8658000000e-03 -2.8116000000e-03  1.2885000000e-03 -1.9311000000e-03
-
-JOB 56
-COORDS  1.7249830000e+00  1.3573070000e+00  1.4928500000e-01  8.3214600000e-01  1.6305000000e+00 -6.1525000000e-02  1.9781880000e+00  7.8504300000e-01 -5.7503000000e-01 -1.6835540000e+00 -1.2723950000e+00 -9.6799000000e-02 -9.9077900000e-01 -1.9242600000e+00  9.8190000000e-03 -2.4832070000e+00 -1.7874100000e+00 -2.0425500000e-01
-ENERGY -1.526552961699e+02
-FORCES -3.6857000000e-03 -1.2160000000e-03 -3.8111000000e-03  4.5273000000e-03 -3.5980000000e-04  7.7450000000e-04 -5.1880000000e-04  2.0112000000e-03  2.9766000000e-03 -7.9350000000e-04 -5.1970000000e-03  6.5270000000e-04 -2.9020000000e-03  2.7004000000e-03 -1.0065000000e-03  3.3726000000e-03  2.0612000000e-03  4.1390000000e-04
-
-JOB 57
-COORDS -5.9910100000e-01 -1.1603590000e+00  1.6577560000e+00 -3.0929000000e-01 -1.5087300000e+00  2.5008930000e+00 -1.2557680000e+00 -1.7862800000e+00  1.3523980000e+00  6.5922700000e-01  1.2136700000e+00 -1.6399410000e+00 -2.1379800000e-01  8.2202000000e-01 -1.6658410000e+00  7.6692600000e-01  1.6170930000e+00 -2.5012670000e+00
-ENERGY -1.526535885125e+02
-FORCES -7.1250000000e-04 -4.0060000000e-03  2.7433000000e-03 -1.4320000000e-03  1.2995000000e-03 -3.4160000000e-03  2.5514000000e-03  2.8757000000e-03  8.1780000000e-04 -3.5167000000e-03 -3.8190000000e-04 -2.6972000000e-03  3.4363000000e-03  1.8763000000e-03 -1.0019000000e-03 -3.2660000000e-04 -1.6637000000e-03  3.5540000000e-03
-
-JOB 58
-COORDS -1.8915940000e+00 -3.6389800000e-01 -1.0734620000e+00 -2.5692120000e+00 -4.9276800000e-01 -4.0979200000e-01 -1.3581850000e+00  3.5537700000e-01 -7.3530500000e-01  1.8617950000e+00  3.5695600000e-01  9.6914100000e-01  1.5614820000e+00  1.2593200000e-01  1.8481580000e+00  2.7930660000e+00  1.3567700000e-01  9.6781700000e-01
-ENERGY -1.526549895707e+02
-FORCES  6.3260000000e-04  2.6284000000e-03  4.0627000000e-03  2.5961000000e-03  4.0860000000e-04 -2.4990000000e-03 -3.7521000000e-03 -2.8239000000e-03 -1.5751000000e-03  3.4413000000e-03 -2.4608000000e-03  3.3406000000e-03  8.6470000000e-04  1.2409000000e-03 -3.6480000000e-03 -3.7826000000e-03  1.0068000000e-03  3.1880000000e-04
-
-JOB 59
-COORDS -5.6440800000e-01  2.6457800000e-01 -2.0520850000e+00 -1.7245300000e-01  3.4926000000e-01 -2.9212410000e+00 -1.1355870000e+00  1.0283860000e+00 -1.9709490000e+00  6.4093300000e-01 -3.4710900000e-01  2.1122580000e+00  4.1799200000e-01  5.6875600000e-01  1.9457630000e+00 -1.9763800000e-01 -8.0763800000e-01  2.0815430000e+00
-ENERGY -1.526539904205e+02
-FORCES -1.7230000000e-04  3.1807000000e-03 -3.8569000000e-03 -1.8282000000e-03 -2.4460000000e-04  3.5457000000e-03  2.3347000000e-03 -3.1505000000e-03  2.4970000000e-04 -4.4401000000e-03  1.6029000000e-03 -2.4243000000e-03  8.5810000000e-04 -3.2539000000e-03  1.4717000000e-03  3.2477000000e-03  1.8653000000e-03  1.0141000000e-03
-
-JOB 60
-COORDS -1.4835450000e+00 -1.2932220000e+00 -1.0731530000e+00 -2.3096450000e+00 -1.1500440000e+00 -6.1131900000e-01 -8.1025600000e-01 -1.1730340000e+00 -4.0347500000e-01  1.5158780000e+00  1.2661340000e+00  9.4518500000e-01  1.0245880000e+00  2.0321330000e+00  1.2420220000e+00  1.5502650000e+00  6.9184400000e-01  1.7101950000e+00
-ENERGY -1.526544963506e+02
-FORCES  2.5230000000e-04  1.7563000000e-03  4.3917000000e-03  3.2248000000e-03 -5.8800000000e-04 -1.7381000000e-03 -3.7186000000e-03 -1.6603000000e-03 -2.3658000000e-03 -8.2470000000e-04  2.1355000000e-03  4.4675000000e-03  1.9539000000e-03 -3.5238000000e-03 -1.0880000000e-03 -8.8760000000e-04  1.8802000000e-03 -3.6673000000e-03
-
-JOB 61
-COORDS -1.1879610000e+00 -1.7344800000e-01  1.9409270000e+00 -2.6479300000e-01 -2.1693000000e-02  2.1433170000e+00 -1.2514270000e+00 -3.9847000000e-02  9.9522400000e-01  1.1835380000e+00  2.1889000000e-01 -1.9169240000e+00  2.5092400000e-01  1.0476500000e-01 -2.0997880000e+00  1.4643140000e+00 -6.2599100000e-01 -1.5653950000e+00
-ENERGY -1.526542879134e+02
-FORCES  3.8325000000e-03  2.1020000000e-03 -2.7987000000e-03 -3.9452000000e-03 -1.1512000000e-03 -6.3600000000e-04 -1.4750000000e-04 -1.3026000000e-03  3.4663000000e-03 -1.8940000000e-03 -4.2538000000e-03 -9.8370000000e-04  3.6941000000e-03  6.4690000000e-04  1.8670000000e-03 -1.5399000000e-03  3.9587000000e-03 -9.1490000000e-04
-
-JOB 62
-COORDS  1.0404090000e+00  1.7407580000e+00  1.1290900000e+00  4.6355400000e-01  1.0454290000e+00  1.4452990000e+00  6.6253700000e-01  2.0028450000e+00  2.8959300000e-01 -9.7000700000e-01 -1.7178210000e+00 -1.1599690000e+00 -4.3517400000e-01 -1.7878340000e+00 -3.6922000000e-01 -1.8675940000e+00 -1.6406000000e+00 -8.3654200000e-01
-ENERGY -1.526540403693e+02
-FORCES -3.9041000000e-03 -1.3092000000e-03 -2.7086000000e-03  2.3633000000e-03  2.1816000000e-03 -1.1169000000e-03  1.6180000000e-03 -8.7980000000e-04  3.9509000000e-03 -1.5134000000e-03 -1.2910000000e-03  4.0432000000e-03 -2.5867000000e-03  1.1489000000e-03 -3.0185000000e-03  4.0229000000e-03  1.4950000000e-04 -1.1501000000e-03
-
-JOB 63
-COORDS -7.7215800000e-01 -2.0555600000e+00 -7.9257700000e-01 -1.3693190000e+00 -1.4378510000e+00 -3.7059900000e-01  8.5717000000e-02 -1.8530420000e+00 -4.1939000000e-01  7.9452500000e-01  1.9975470000e+00  7.9109400000e-01  2.4227100000e-01  2.7557820000e+00  6.0049900000e-01  5.9110500000e-01  1.3717010000e+00  9.5991000000e-02
-ENERGY -1.526539983754e+02
-FORCES  7.7720000000e-04  1.9747000000e-03  3.9984000000e-03  2.9013000000e-03 -1.9721000000e-03 -2.3423000000e-03 -3.7452000000e-03  6.0200000000e-05 -2.1577000000e-03 -2.7265000000e-03  1.6484000000e-03 -3.9566000000e-03  2.2346000000e-03 -3.3537000000e-03  8.8730000000e-04  5.5860000000e-04  1.6425000000e-03  3.5709000000e-03
-
-JOB 64
-COORDS  2.8385400000e-01 -3.6489100000e-01 -2.2389030000e+00 -5.0840600000e-01  1.7031300000e-01 -2.1929400000e+00 -3.7499000000e-02 -1.2640180000e+00 -2.3062390000e+00 -2.2968100000e-01  3.5020300000e-01  2.2959710000e+00  5.4996800000e-01  8.9473800000e-01  2.1870630000e+00 -6.9524800000e-01  4.2839300000e-01  1.4632860000e+00
-ENERGY -1.526544436073e+02
-FORCES -4.2912000000e-03 -2.2131000000e-03 -1.1874000000e-03  3.3777000000e-03 -2.0234000000e-03  7.9300000000e-04  1.2058000000e-03  4.0153000000e-03  3.1080000000e-04  2.0975000000e-03  2.3269000000e-03 -4.3875000000e-03 -3.3789000000e-03 -1.9491000000e-03  9.1930000000e-04  9.8900000000e-04 -1.5650000000e-04  3.5518000000e-03
-
-JOB 65
-COORDS -1.4673560000e+00  8.2926900000e-01  1.4894360000e+00 -2.4068760000e+00  9.8139700000e-01  1.5913670000e+00 -1.0553050000e+00  1.4952150000e+00  2.0398550000e+00  1.5604800000e+00 -8.9050900000e-01 -1.5073620000e+00  1.2575950000e+00 -9.5447200000e-01 -2.4131230000e+00  7.8458900000e-01 -6.2636200000e-01 -1.0129430000e+00
-ENERGY -1.526558897146e+02
-FORCES -2.4120000000e-03  3.5818000000e-03  3.4354000000e-03  3.9015000000e-03 -5.4280000000e-04 -4.4830000000e-04 -1.9194000000e-03 -2.7340000000e-03 -2.3528000000e-03 -4.9614000000e-03  1.0122000000e-03 -9.1070000000e-04  1.2880000000e-03  2.0160000000e-04  3.3790000000e-03  4.1033000000e-03 -1.5187000000e-03 -3.1026000000e-03
-
-JOB 66
-COORDS -1.4659960000e+00  8.6115200000e-01 -1.6789250000e+00 -1.4371430000e+00  1.5500900000e+00 -1.0150240000e+00 -8.5377700000e-01  1.9695100000e-01 -1.3622900000e+00  1.4808670000e+00 -8.5565000000e-01  1.6841770000e+00  1.3798960000e+00 -1.5122860000e+00  9.9507200000e-01  7.8003800000e-01 -2.2489800000e-01  1.5191880000e+00
-ENERGY -1.526528211399e+02
-FORCES  2.3866000000e-03  6.2440000000e-04  3.2580000000e-03  9.8600000000e-05 -3.3989000000e-03 -2.4673000000e-03 -2.4266000000e-03  2.5808000000e-03 -4.7450000000e-04 -2.8739000000e-03 -6.3980000000e-04 -2.6722000000e-03  6.6200000000e-05  3.3371000000e-03  2.5776000000e-03  2.7491000000e-03 -2.5036000000e-03 -2.2160000000e-04
-
-JOB 67
-COORDS -7.7952800000e-01 -1.4393270000e+00 -1.7691360000e+00 -1.0254390000e+00 -5.3334300000e-01 -1.9560910000e+00 -6.3579700000e-01 -1.4586250000e+00 -8.2298600000e-01  8.1815000000e-01  1.4425510000e+00  1.6981790000e+00  4.6775000000e-01  6.7306200000e-01  1.2494700000e+00  6.0526000000e-01  1.3002050000e+00  2.6204840000e+00
-ENERGY -1.526530160268e+02
-FORCES -6.8920000000e-04  3.4789000000e-03  2.2643000000e-03  1.1408000000e-03 -4.0545000000e-03  1.2453000000e-03 -2.3950000000e-04  7.5380000000e-04 -3.2517000000e-03 -1.7894000000e-03 -3.4881000000e-03  2.5958000000e-03  7.4720000000e-04  2.7824000000e-03  1.2169000000e-03  8.3010000000e-04  5.2750000000e-04 -4.0707000000e-03
-
-JOB 68
-COORDS -1.6877200000e+00  4.8862900000e-01  1.5732830000e+00 -1.3911330000e+00  1.1273230000e+00  2.2216180000e+00 -1.3525290000e+00 -3.4962400000e-01  1.8914180000e+00  1.6849600000e+00 -4.5844900000e-01 -1.5652550000e+00  1.7598730000e+00 -1.3200700000e+00 -1.9754130000e+00  1.1168430000e+00  3.8845000000e-02 -2.1536200000e+00
-ENERGY -1.526544656183e+02
-FORCES  3.4564000000e-03 -9.5660000000e-04  3.6939000000e-03 -1.4759000000e-03 -2.4773000000e-03 -2.4861000000e-03 -1.9294000000e-03  3.2950000000e-03 -9.4110000000e-04 -2.6081000000e-03 -1.0673000000e-03 -4.0740000000e-03 -2.4210000000e-04  3.3758000000e-03  1.8018000000e-03  2.7990000000e-03 -2.1697000000e-03  2.0056000000e-03
-
-JOB 69
-COORDS -1.0983320000e+00  1.7197770000e+00  1.1903450000e+00 -1.8168430000e+00  1.4785560000e+00  6.0572000000e-01 -1.3442090000e+00  2.5800490000e+00  1.5305030000e+00  1.1289680000e+00 -1.8073450000e+00 -1.1975420000e+00  6.4021800000e-01 -9.8462500000e-01 -1.2196380000e+00  1.9776620000e+00 -1.5723060000e+00 -8.2243400000e-01
-ENERGY -1.526549032087e+02
-FORCES -4.4371000000e-03  2.8437000000e-03 -2.3480000000e-04  3.4449000000e-03  9.1530000000e-04  1.9931000000e-03  9.7300000000e-04 -3.5740000000e-03 -1.4603000000e-03  1.4873000000e-03  4.7857000000e-03  2.2321000000e-03  1.6628000000e-03 -3.7229000000e-03 -7.0590000000e-04 -3.1309000000e-03 -1.2476000000e-03 -1.8242000000e-03
-
-JOB 70
-COORDS  1.8132400000e+00  5.9153600000e-01 -1.4661590000e+00  1.9183670000e+00  7.4623300000e-01 -2.4049080000e+00  1.7387600000e+00  1.4666620000e+00 -1.0855830000e+00 -1.7578450000e+00 -6.2900600000e-01  1.5076200000e+00 -2.1432580000e+00 -1.0474060000e+00  7.3779500000e-01 -2.4549650000e+00 -6.4436200000e-01  2.1633790000e+00
-ENERGY -1.526538919012e+02
-FORCES -3.4300000000e-05  4.3790000000e-03 -1.6127000000e-03 -5.2980000000e-04 -7.6600000000e-04  3.7647000000e-03  6.2530000000e-04 -3.4262000000e-03 -2.0023000000e-03 -4.0296000000e-03 -2.1163000000e-03 -9.0710000000e-04  1.0828000000e-03  1.7503000000e-03  3.4029000000e-03  2.8857000000e-03  1.7920000000e-04 -2.6456000000e-03
-
-JOB 71
-COORDS  2.3607710000e+00  6.2042500000e-01  1.5270600000e-01  1.5095530000e+00  9.9950800000e-01 -6.6282000000e-02  2.8929460000e+00  1.3675100000e+00  4.2635800000e-01 -2.3614160000e+00 -7.4872400000e-01 -1.1944400000e-01 -2.2494560000e+00 -6.1595800000e-01 -1.0607570000e+00 -2.1712010000e+00  1.0575900000e-01  2.6773700000e-01
-ENERGY -1.526532815099e+02
-FORCES -1.0905000000e-03  4.3880000000e-03  3.8980000000e-04  3.1537000000e-03 -1.2791000000e-03  7.6010000000e-04 -2.3088000000e-03 -3.1077000000e-03 -1.1609000000e-03  9.2000000000e-04  3.4804000000e-03 -2.2017000000e-03 -3.3030000000e-04 -2.2680000000e-04  4.0368000000e-03 -3.4420000000e-04 -3.2549000000e-03 -1.8241000000e-03
-
-JOB 72
-COORDS -4.2044500000e-01  1.3697130000e+00  1.9897670000e+00 -7.7259100000e-01  2.0694520000e+00  2.5398500000e+00 -1.8971100000e-01  1.8033780000e+00  1.1682270000e+00  4.7619600000e-01 -1.3745940000e+00 -1.9782710000e+00  4.8949700000e-01 -2.2872440000e+00 -1.6899570000e+00 -4.2643100000e-01 -1.2248880000e+00 -2.2594910000e+00
-ENERGY -1.526544296402e+02
-FORCES  3.1900000000e-05  4.4784000000e-03 -1.4771000000e-03  1.3489000000e-03 -2.8878000000e-03 -2.2271000000e-03 -1.3993000000e-03 -1.3486000000e-03  3.7101000000e-03 -3.6838000000e-03 -3.4812000000e-03  6.0030000000e-04 -2.5000000000e-05  3.6054000000e-03 -1.5495000000e-03  3.7273000000e-03 -3.6620000000e-04  9.4320000000e-04
-
-JOB 73
-COORDS -2.2365240000e+00 -6.4893300000e-01 -9.8279200000e-01 -2.6973200000e+00 -9.0454300000e-01 -1.8369100000e-01 -2.1806070000e+00  3.0532300000e-01 -9.3277500000e-01  2.2589320000e+00  5.7350400000e-01  8.8366900000e-01  1.6612660000e+00  4.3788900000e-01  1.6189480000e+00  2.8086090000e+00  1.3091360000e+00  1.1537290000e+00
-ENERGY -1.526536232121e+02
-FORCES -1.2256000000e-03  2.9470000000e-03  3.1430000000e-03  1.9446000000e-03  1.0661000000e-03 -3.0988000000e-03 -6.3420000000e-04 -3.9180000000e-03 -2.6100000000e-05 -5.4100000000e-05  2.0557000000e-03  4.0623000000e-03  2.3441000000e-03  8.2840000000e-04 -2.9146000000e-03 -2.3748000000e-03 -2.9792000000e-03 -1.1658000000e-03
-
-JOB 74
-COORDS  1.1747100000e-01  7.1020000000e-01  2.4535820000e+00 -6.8572600000e-01  3.3405500000e-01  2.8136110000e+00  6.4704800000e-01 -4.7529000000e-02  2.2053350000e+00 -3.7718000000e-02 -6.4139100000e-01 -2.4514300000e+00 -6.0179500000e-01 -1.3491220000e+00 -2.1397160000e+00 -6.2981200000e-01 -4.8988000000e-02 -2.9148060000e+00
-ENERGY -1.526539804599e+02
-FORCES -7.2000000000e-04 -4.5968000000e-03 -5.9000000000e-06  3.1205000000e-03  1.5025000000e-03 -1.5088000000e-03 -2.3523000000e-03  2.9511000000e-03  1.5250000000e-03 -4.8342000000e-03  8.6900000000e-05 -6.8190000000e-04  2.4097000000e-03  2.7078000000e-03 -1.0418000000e-03  2.3763000000e-03 -2.6515000000e-03  1.7134000000e-03
-
-JOB 75
-COORDS -9.2418700000e-01  1.6275370000e+00  1.7935490000e+00 -1.3371200000e+00  8.6159500000e-01  2.1923590000e+00 -1.3300820000e+00  1.6963340000e+00  9.2940400000e-01  9.9395800000e-01 -1.5512640000e+00 -1.7267300000e+00  8.4029500000e-01 -2.4958780000e+00 -1.7447320000e+00  6.4564300000e-01 -1.2355280000e+00 -2.5605290000e+00
-ENERGY -1.526538841754e+02
-FORCES -2.6958000000e-03 -3.4531000000e-03 -2.3761000000e-03  1.3582000000e-03  3.2641000000e-03 -1.3277000000e-03  1.2026000000e-03  1.2830000000e-04  3.5981000000e-03 -1.5346000000e-03 -2.6695000000e-03 -3.6036000000e-03  4.8050000000e-04  3.9480000000e-03  1.4130000000e-04  1.1892000000e-03 -1.2178000000e-03  3.5680000000e-03
-
-JOB 76
-COORDS  8.0809100000e-01 -1.2729780000e+00  2.2283650000e+00 -1.0275400000e-01 -1.5558830000e+00  2.3093470000e+00  1.0141370000e+00 -8.8141000000e-01  3.0771590000e+00 -7.9721900000e-01  1.2054930000e+00 -2.2775240000e+00 -9.8392400000e-01  2.0577990000e+00 -1.8838890000e+00 -3.5511000000e-02  1.3607700000e+00 -2.8360230000e+00
-ENERGY -1.526538973320e+02
-FORCES -3.2025000000e-03  3.9780000000e-04  3.3798000000e-03  3.8239000000e-03  1.0701000000e-03  4.9700000000e-05 -7.6020000000e-04 -1.5038000000e-03 -3.4555000000e-03  2.8547000000e-03  3.8879000000e-03 -3.4740000000e-04  5.4240000000e-04 -3.3717000000e-03 -1.6724000000e-03 -3.2582000000e-03 -4.8040000000e-04  2.0457000000e-03
-
-JOB 77
-COORDS  9.2096000000e-01  1.5223750000e+00 -2.7204020000e+00  6.1388200000e-01  1.0528930000e+00 -1.9448230000e+00  1.6884650000e+00  2.0082530000e+00 -2.4185900000e+00 -9.1230800000e-01 -1.5480180000e+00  2.6093620000e+00 -1.3544770000e+00 -7.0516300000e-01  2.7109140000e+00 -1.0553910000e+00 -1.9960720000e+00  3.4430330000e+00
-ENERGY -1.526543852153e+02
-FORCES  1.9426000000e-03 -2.8480000000e-04  4.4619000000e-03  1.1795000000e-03  2.2475000000e-03 -3.2520000000e-03 -3.1302000000e-03 -1.8420000000e-03 -1.2550000000e-03 -2.5748000000e-03  1.3054000000e-03  4.0524000000e-03  1.9938000000e-03 -3.3288000000e-03 -6.0540000000e-04  5.8920000000e-04  1.9028000000e-03 -3.4019000000e-03
-
-JOB 78
-COORDS  1.7304830000e+00  2.0731280000e+00 -1.8482210000e+00  2.0544650000e+00  1.9508010000e+00 -9.5586200000e-01  8.0488200000e-01  2.2915460000e+00 -1.7396540000e+00 -1.7379870000e+00 -2.0364380000e+00  1.8193080000e+00 -1.8597050000e+00 -2.9631930000e+00  1.6130520000e+00 -8.7896500000e-01 -1.8206120000e+00  1.4563580000e+00
-ENERGY -1.526541885012e+02
-FORCES -2.4889000000e-03  7.8500000000e-04  4.0029000000e-03 -1.3465000000e-03  2.3340000000e-04 -3.6333000000e-03  3.8788000000e-03 -1.0471000000e-03 -4.2850000000e-04  2.9324000000e-03 -3.2047000000e-03 -2.3444000000e-03  5.0490000000e-04  3.8255000000e-03  8.7710000000e-04 -3.4806000000e-03 -5.9220000000e-04  1.5262000000e-03
-
-JOB 79
-COORDS  7.9267600000e-01 -2.4802790000e+00 -1.9601970000e+00  1.6247340000e+00 -2.9038150000e+00 -1.7491760000e+00  5.4985000000e-01 -2.0158650000e+00 -1.1592050000e+00 -8.3927000000e-01  2.4365540000e+00  1.9609890000e+00 -2.1858300000e-01  2.2830550000e+00  1.2486570000e+00 -1.2660060000e+00  3.2626490000e+00  1.7336250000e+00
-ENERGY -1.526541788971e+02
-FORCES  2.2765000000e-03 -1.4420000000e-04  4.2437000000e-03 -3.3688000000e-03  1.8175000000e-03 -9.0100000000e-04  1.1367000000e-03 -1.6390000000e-03 -3.4182000000e-03  6.2850000000e-04  3.0784000000e-03 -3.8208000000e-03 -2.4651000000e-03  2.8710000000e-04  2.9399000000e-03  1.7923000000e-03 -3.3998000000e-03  9.5640000000e-04
-
-JOB 80
-COORDS  9.5692900000e-01  1.1432000000e-02  3.2926610000e+00  8.6840900000e-01  3.8708500000e-01  2.4167150000e+00  1.9002830000e+00 -5.6400000000e-04  3.4544330000e+00 -1.0252570000e+00 -8.8390000000e-02 -3.2805700000e+00 -1.1717640000e+00  8.2976100000e-01 -3.5080910000e+00 -4.2164800000e-01 -5.8327000000e-02 -2.5382870000e+00
-ENERGY -1.526536762719e+02
-FORCES  3.5327000000e-03  1.4175000000e-03 -2.6819000000e-03  3.3940000000e-04 -1.5164000000e-03  3.3370000000e-03 -3.9117000000e-03  8.4700000000e-05 -7.5290000000e-04  1.7025000000e-03  3.8049000000e-03  1.9710000000e-03  6.8500000000e-04 -3.7740000000e-03  1.0115000000e-03 -2.3479000000e-03 -1.6800000000e-05 -2.8847000000e-03
-
-JOB 81
-COORDS -1.5465570000e+00  7.1815300000e-01  3.0679620000e+00 -1.9033030000e+00 -1.3937000000e-01  2.8364060000e+00 -1.2935420000e+00  1.1068780000e+00  2.2306390000e+00  1.4999710000e+00 -6.5424800000e-01 -3.0351710000e+00  2.1656870000e+00 -4.3325800000e-01 -2.3838510000e+00  1.7326930000e+00 -1.5357960000e+00 -3.3266240000e+00
-ENERGY -1.526543562787e+02
-FORCES -5.7360000000e-04 -1.8631000000e-03 -4.5193000000e-03  1.4965000000e-03  3.4392000000e-03  1.0527000000e-03 -9.1930000000e-04 -1.5702000000e-03  3.5550000000e-03  3.8954000000e-03 -2.7304000000e-03  1.1995000000e-03 -2.8954000000e-03 -8.8390000000e-04 -2.5475000000e-03 -1.0036000000e-03  3.6084000000e-03  1.2597000000e-03
-
-JOB 82
-COORDS  3.3951880000e+00 -9.6285100000e-01  1.8885700000e-01  3.0734560000e+00 -1.0755800000e-01  4.7380200000e-01  3.4352210000e+00 -1.4836120000e+00  9.9100200000e-01 -3.4006820000e+00  8.7634200000e-01 -2.1949800000e-01 -3.9344390000e+00  1.6027260000e+00 -5.4152600000e-01 -2.5032580000e+00  1.2083430000e+00 -2.4474700000e-01
-ENERGY -1.526539762397e+02
-FORCES -1.0971000000e-03  1.1686000000e-03  4.5133000000e-03  1.1964000000e-03 -3.3789000000e-03 -1.2491000000e-03 -1.2880000000e-04  2.2020000000e-03 -3.2912000000e-03  1.4436000000e-03  4.2421000000e-03 -1.6232000000e-03  2.1959000000e-03 -2.9502000000e-03  1.3680000000e-03 -3.6100000000e-03 -1.2835000000e-03  2.8220000000e-04
-
-JOB 83
-COORDS  7.2863600000e-01  2.9777610000e+00  1.9629250000e+00  1.2546760000e+00  2.5073530000e+00  2.6096320000e+00  4.6800000000e-03  2.3838160000e+00  1.7645630000e+00 -6.8561300000e-01 -2.8667460000e+00 -1.9870010000e+00 -1.2919410000e+00 -3.1794470000e+00 -1.3155730000e+00 -7.5136200000e-01 -3.5134030000e+00 -2.6896710000e+00
-ENERGY -1.526541101987e+02
-FORCES -7.2850000000e-04 -4.5100000000e-03  1.5457000000e-03 -2.1600000000e-03  1.9741000000e-03 -2.5133000000e-03  2.8538000000e-03  2.5177000000e-03  1.0162000000e-03 -2.7122000000e-03 -3.9943000000e-03 -3.5540000000e-04  2.4995000000e-03  1.3869000000e-03 -2.6148000000e-03  2.4740000000e-04  2.6256000000e-03  2.9216000000e-03
-
-JOB 84
-COORDS  1.3047500000e+00  2.5198890000e+00 -2.3169140000e+00  1.3324670000e+00  2.9604840000e+00 -1.4675960000e+00  1.4246660000e+00  1.5929480000e+00 -2.1104360000e+00 -1.3505010000e+00 -2.5282380000e+00  2.2178320000e+00 -1.5441920000e+00 -2.0922410000e+00  3.0476640000e+00 -4.5903300000e-01 -2.2526910000e+00  2.0043130000e+00
-ENERGY -1.526538267366e+02
-FORCES  4.8960000000e-04 -1.9709000000e-03  4.1713000000e-03 -7.1700000000e-05 -1.8606000000e-03 -3.4048000000e-03 -4.0810000000e-04  3.7962000000e-03 -7.1150000000e-04  2.7169000000e-03  2.7369000000e-03  2.6694000000e-03  8.6230000000e-04 -1.7341000000e-03 -3.4600000000e-03 -3.5890000000e-03 -9.6740000000e-04  7.3560000000e-04
-
-JOB 85
-COORDS -1.1617730000e+00 -3.4385040000e+00 -1.4379480000e+00 -1.8911570000e+00 -3.8580340000e+00 -9.8163100000e-01 -1.3986510000e+00 -3.4865160000e+00 -2.3641310000e+00  1.2335340000e+00  3.4246770000e+00  1.4168890000e+00  6.3594900000e-01  3.1754290000e+00  2.1218700000e+00  1.4235290000e+00  4.3487540000e+00  1.5788040000e+00
-ENERGY -1.526538710882e+02
-FORCES -3.8719000000e-03 -1.7917000000e-03 -1.9735000000e-03  2.9624000000e-03  1.7009000000e-03 -1.8244000000e-03  9.3140000000e-04  1.3130000000e-04  3.7880000000e-03 -1.6904000000e-03  2.5728000000e-03  3.5204000000e-03  2.4380000000e-03  1.1321000000e-03 -2.8320000000e-03 -7.6950000000e-04 -3.7453000000e-03 -6.7850000000e-04
-
-JOB 86
-COORDS -3.8361770000e+00 -5.2961900000e-01 -6.3402700000e-01 -3.4688010000e+00 -6.2800700000e-01 -1.5124270000e+00 -4.7837650000e+00 -5.6349900000e-01 -7.6502800000e-01  3.8453420000e+00  4.8909600000e-01  7.3636900000e-01  4.4484450000e+00  1.2034560000e+00  9.4176800000e-01  3.6595680000e+00  5.9271000000e-01 -1.9689600000e-01
-ENERGY -1.526538819739e+02
-FORCES -2.3278000000e-03 -6.0390000000e-04 -4.0482000000e-03 -1.5005000000e-03  4.4600000000e-04  3.5389000000e-03  3.8673000000e-03  1.5740000000e-04  5.2310000000e-04  1.5497000000e-03  3.3690000000e-03 -2.9099000000e-03 -2.4181000000e-03 -2.9270000000e-03 -8.5270000000e-04  8.2940000000e-04 -4.4160000000e-04  3.7488000000e-03
-
-JOB 87
-COORDS  1.4578270000e+00 -3.3978000000e-01 -3.6689340000e+00  7.4784600000e-01 -8.5431000000e-01 -3.2849860000e+00  1.5266470000e+00 -6.5955800000e-01 -4.5685100000e+00 -1.3936740000e+00  4.5383400000e-01  3.7068020000e+00 -1.6442290000e+00 -1.7767000000e-01  4.3810840000e+00 -1.5641320000e+00  2.4980000000e-03  2.8800780000e+00
-ENERGY -1.526538874022e+02
-FORCES -2.5550000000e-03 -3.3452000000e-03 -2.1700000000e-03  2.8482000000e-03  2.0707000000e-03 -1.4871000000e-03 -2.9790000000e-04  1.2896000000e-03  3.6985000000e-03 -1.6299000000e-03 -4.3623000000e-03 -6.2750000000e-04  1.0029000000e-03  2.5680000000e-03 -2.7695000000e-03  6.3170000000e-04  1.7791000000e-03  3.3555000000e-03
-
-JOB 88
-COORDS -3.5730610000e+00 -1.9269490000e+00 -1.5646300000e+00 -3.4390500000e+00 -1.7573860000e+00 -6.3214900000e-01 -4.5222640000e+00 -1.8877210000e+00 -1.6816990000e+00  3.6245780000e+00  1.9893160000e+00  1.5308110000e+00  2.8636220000e+00  1.4639960000e+00  1.7782320000e+00  4.2661920000e+00  1.3507020000e+00  1.2197890000e+00
-ENERGY -1.526540704108e+02
-FORCES -3.4337000000e-03  8.8390000000e-04  3.2554000000e-03 -4.4810000000e-04 -7.0440000000e-04 -3.7690000000e-03  3.8919000000e-03 -1.7620000000e-04  5.0110000000e-04 -4.7720000000e-04 -4.7703000000e-03 -3.8080000000e-04  3.0699000000e-03  2.1532000000e-03 -9.2890000000e-04 -2.6027000000e-03  2.6137000000e-03  1.3222000000e-03
-
-JOB 89
-COORDS  1.0759080000e+00 -4.9556420000e+00 -1.9270960000e+00  1.5677710000e+00 -4.1355400000e+00 -1.8854330000e+00  1.0631310000e+00 -5.2739410000e+00 -1.0244580000e+00 -1.0552140000e+00  4.9675300000e+00  1.8711710000e+00 -1.9445960000e+00  5.1141510000e+00  2.1932500000e+00 -1.0651620000e+00  4.0698140000e+00  1.5391470000e+00
-ENERGY -1.526540642721e+02
-FORCES  2.0263000000e-03  1.9927000000e-03  3.8254000000e-03 -2.0554000000e-03 -3.3215000000e-03 -1.5140000000e-04  1.9600000000e-05  1.3292000000e-03 -3.6770000000e-03 -3.7205000000e-03 -3.0143000000e-03 -5.7900000000e-05  3.6453000000e-03 -6.1480000000e-04 -1.3060000000e-03  8.4700000000e-05  3.6288000000e-03  1.3668000000e-03
-
-JOB 0
-COORDS  9.9433000000e-02  1.0022210000e+00 -6.6842500000e-01  1.9134300000e-01  3.5898800000e-01 -1.3713020000e+00 -5.7833700000e-01  1.6023380000e+00 -9.7942300000e-01 -8.9662000000e-02 -1.0326860000e+00  7.8615500000e-01 -2.8249800000e-01 -1.2233900000e-01  5.6184700000e-01  3.6961300000e-01 -1.3765300000e+00  1.9951000000e-02
-ENERGY -1.526501518448e+02
-FORCES -1.5414000000e-03 -1.4803300000e-02  5.1591000000e-03 -5.2610000000e-04  9.2780000000e-04  5.4954000000e-03  2.7899000000e-03 -5.1273000000e-03  2.9507000000e-03  3.4859000000e-03  2.1708600000e-02 -1.4965900000e-02 -2.9101000000e-03 -3.9172000000e-03  2.4586000000e-03 -1.2980000000e-03  1.2114000000e-03 -1.0979000000e-03
-
-JOB 1
-COORDS -1.6650500000e-01  3.3960700000e-01 -1.2795490000e+00  4.6071200000e-01 -2.1914200000e-01 -1.7384920000e+00 -2.3924900000e-01 -4.7499000000e-02 -4.0714500000e-01  1.3886000000e-01 -2.9386000000e-01  1.1950000000e+00 -6.4136300000e-01 -1.8235500000e-01  1.7381850000e+00  8.6463200000e-01 -3.1419500000e-01  1.8187580000e+00
-ENERGY -1.526554190759e+02
-FORCES  5.2872000000e-03 -6.3103000000e-03  1.8338200000e-02 -9.2300000000e-04  1.4902000000e-03  1.9007000000e-03 -6.0085000000e-03  2.6630000000e-04 -3.5310000000e-03  2.0992000000e-03  5.1345000000e-03 -1.2017800000e-02  4.4699000000e-03 -3.4040000000e-04 -3.7626000000e-03 -4.9248000000e-03 -2.4030000000e-04 -9.2740000000e-04
-
-JOB 2
-COORDS -1.3043100000e+00 -2.8862500000e-01 -1.8912600000e-01 -1.4873680000e+00  7.1011000000e-02 -1.0571030000e+00 -3.6449500000e-01 -1.5422800000e-01 -6.6992000000e-02  1.2017010000e+00  2.6301700000e-01  2.2012900000e-01  1.7250880000e+00  1.0627250000e+00  1.6754700000e-01  1.8455830000e+00 -4.3994100000e-01  3.0672500000e-01
-ENERGY -1.526578798895e+02
-FORCES  1.8228300000e-02  5.4956000000e-03  1.0859000000e-03  1.3607000000e-03 -2.0930000000e-04  2.2658000000e-03 -5.4354000000e-03 -4.2475000000e-03 -8.2730000000e-04 -1.0868400000e-02 -4.3800000000e-04 -2.0069000000e-03 -3.7800000000e-04 -5.2697000000e-03  1.6260000000e-04 -2.9071000000e-03  4.6688000000e-03 -6.8010000000e-04
-
-JOB 3
-COORDS  6.2113600000e-01 -1.1278650000e+00  2.4358600000e-01  3.6579600000e-01 -1.6313930000e+00 -5.2939000000e-01  1.5389330000e+00 -9.0289600000e-01  9.1043000000e-02 -7.1829200000e-01  1.1617890000e+00 -1.9068400000e-01 -2.7362400000e-01  4.4701400000e-01  2.6494700000e-01 -4.8355000000e-02  1.5346560000e+00 -7.6373400000e-01
-ENERGY -1.526576418115e+02
-FORCES -2.9139000000e-03  3.9529000000e-03 -6.6176000000e-03  2.9112000000e-03  2.3696000000e-03  3.8406000000e-03 -5.7260000000e-03  7.9050000000e-04 -2.5020000000e-04  1.0371800000e-02 -1.3859700000e-02  2.3210000000e-03 -3.3647000000e-03  8.3189000000e-03 -5.7080000000e-04 -1.2784000000e-03 -1.5722000000e-03  1.2770000000e-03
-
-JOB 4
-COORDS -5.7099000000e-01  1.3061900000e-01  1.2128480000e+00 -1.4833180000e+00  1.2621900000e-01  9.2324500000e-01 -5.2908700000e-01 -5.5018900000e-01  1.8843960000e+00  6.8347600000e-01 -8.9929000000e-02 -1.2471970000e+00 -5.7647000000e-02  1.3517800000e-01 -1.8095980000e+00  2.8292400000e-01 -4.0000900000e-01 -4.3501400000e-01
-ENERGY -1.526567376529e+02
-FORCES -2.5466000000e-03  6.7550000000e-04  5.4020000000e-04  5.9397000000e-03 -1.2299000000e-03 -4.5720000000e-04  2.4450000000e-04  2.9644000000e-03 -5.2861000000e-03 -7.3136000000e-03  2.0983000000e-03  1.1224200000e-02  1.4981000000e-03 -7.1740000000e-04  2.3929000000e-03  2.1779000000e-03 -3.7908000000e-03 -8.4140000000e-03
-
-JOB 5
-COORDS -1.1886750000e+00 -6.4261800000e-01  2.2280500000e-01 -1.8575940000e+00 -1.7286700000e-01  7.2091500000e-01 -7.6730800000e-01 -1.2131780000e+00  8.6556700000e-01  1.2602880000e+00  6.3113100000e-01 -3.1892500000e-01  4.7627600000e-01  1.0791100000e-01 -1.5219300000e-01  1.0810680000e+00  1.4724930000e+00  1.0086200000e-01
-ENERGY -1.526588982136e+02
-FORCES -1.1921000000e-03  1.5964000000e-03  3.5405000000e-03  3.7247000000e-03 -2.7471000000e-03 -1.8638000000e-03  1.5850000000e-04  5.8595000000e-03 -4.6021000000e-03 -1.3311500000e-02 -2.1153000000e-03  2.0815000000e-03  1.0088900000e-02 -2.6530000000e-04  1.6558000000e-03  5.3150000000e-04 -2.3282000000e-03 -8.1190000000e-04
-
-JOB 6
-COORDS  2.0834900000e-01 -1.3656190000e+00 -7.5503000000e-02  3.1598400000e-01 -6.7213400000e-01 -7.2644500000e-01  4.9469600000e-01 -2.1616640000e+00 -5.2333000000e-01 -1.7904100000e-01  1.3251280000e+00  1.2577800000e-01 -2.1134800000e-01  1.9861220000e+00  8.1735200000e-01 -1.0225360000e+00  1.4027730000e+00 -3.2000100000e-01
-ENERGY -1.526544751065e+02
-FORCES  1.6077000000e-03  6.2537000000e-03 -2.0759000000e-03 -1.8635000000e-03 -6.2585000000e-03 -1.4293000000e-03 -1.1276000000e-03  4.4257000000e-03  1.8372000000e-03 -2.7753000000e-03 -1.1034000000e-03  4.1450000000e-03 -6.4320000000e-04 -2.2560000000e-03 -2.9642000000e-03  4.8019000000e-03 -1.0615000000e-03  4.8730000000e-04
-
-JOB 7
-COORDS  1.1214010000e+00 -9.2792500000e-01  2.1112300000e-01  8.4856300000e-01 -1.6823810000e+00 -3.1097600000e-01  4.1191300000e-01 -2.9405700000e-01  1.0590400000e-01 -1.0009330000e+00  9.1901700000e-01 -1.7575000000e-01 -1.5864950000e+00  1.0148680000e+00  5.7535600000e-01 -1.5389010000e+00  1.1558740000e+00 -9.3121200000e-01
-ENERGY -1.526611962466e+02
-FORCES -9.2784000000e-03  5.4901000000e-03 -3.8121000000e-03  6.4730000000e-04  2.1606000000e-03  1.2693000000e-03  6.7283000000e-03 -6.1155000000e-03  3.3623000000e-03 -1.7741000000e-03 -9.6100000000e-05 -8.5280000000e-04  2.4961000000e-03 -5.9910000000e-04 -4.4394000000e-03  1.1807000000e-03 -8.4000000000e-04  4.4727000000e-03
-
-JOB 8
-COORDS -2.3510000000e-02  1.4319360000e+00 -6.2840000000e-02 -1.7347400000e-01  1.1188950000e+00  8.2920700000e-01  8.1499500000e-01  1.8914400000e+00 -1.8141000000e-02 -5.2913000000e-02 -1.4761200000e+00  5.9786000000e-02 -3.2446100000e-01 -7.1578600000e-01 -4.5439800000e-01  8.3145600000e-01 -1.6717630000e+00 -2.4980600000e-01
-ENERGY -1.526592685134e+02
-FORCES  3.7604000000e-03 -1.1807000000e-03  5.5682000000e-03  2.0990000000e-04  2.1836000000e-03 -5.3585000000e-03 -3.3616000000e-03 -2.2276000000e-03  1.9670000000e-04  3.2313000000e-03  7.5386000000e-03 -5.4218000000e-03 -1.1315000000e-03 -6.6136000000e-03  3.4893000000e-03 -2.7085000000e-03  2.9970000000e-04  1.5261000000e-03
-
-JOB 9
-COORDS -8.2795900000e-01 -1.1621580000e+00  2.3861500000e-01  3.2857000000e-02 -1.1837800000e+00 -1.7942700000e-01 -1.4292050000e+00 -1.4834540000e+00 -4.3332500000e-01  8.5816700000e-01  1.1906900000e+00 -2.3100900000e-01  9.9797100000e-01  1.4299210000e+00  6.8520900000e-01 -1.0597000000e-02  7.8906200000e-01 -2.4429900000e-01
-ENERGY -1.526594244174e+02
-FORCES  3.0125000000e-03 -4.1038000000e-03 -2.9654000000e-03 -6.8771000000e-03  2.8156000000e-03  1.6139000000e-03  3.4215000000e-03  2.7947000000e-03  2.5542000000e-03 -6.8670000000e-03 -1.6358000000e-03  5.9530000000e-03  1.8340000000e-04 -8.0970000000e-04 -3.5716000000e-03  7.1267000000e-03  9.3910000000e-04 -3.5841000000e-03
-
-JOB 10
-COORDS -1.4843610000e+00  3.3174000000e-02  1.2244400000e-01 -1.9357960000e+00  7.3205100000e-01 -3.5085100000e-01 -5.7461400000e-01  9.4942000000e-02 -1.6872100000e-01  1.4339670000e+00 -6.1468000000e-02 -1.2852700000e-01  1.1733620000e+00  1.6581700000e-01  7.6403000000e-01  2.2215340000e+00 -5.9460200000e-01 -2.0185000000e-02
-ENERGY -1.526593775402e+02
-FORCES  4.7479000000e-03  7.5680000000e-04 -5.4404000000e-03  2.1199000000e-03 -2.3657000000e-03  1.5549000000e-03 -5.8111000000e-03  3.1253000000e-03  6.8597000000e-03  3.2012000000e-03 -3.4040000000e-03  3.4307000000e-03 -1.4991000000e-03 -1.3179000000e-03 -7.1589000000e-03 -2.7589000000e-03  3.2056000000e-03  7.5400000000e-04
-
-JOB 11
-COORDS -4.2425200000e-01 -3.2917900000e-01 -1.4230940000e+00 -3.2666100000e-01 -1.4144300000e-01 -4.8957200000e-01  4.5020100000e-01 -1.9327800000e-01 -1.7879140000e+00  2.9947500000e-01  3.0854600000e-01  1.3792490000e+00  9.2477000000e-01  8.7857600000e-01  9.3169500000e-01  8.3602400000e-01 -2.1730600000e-01  1.9723980000e+00
-ENERGY -1.526587077262e+02
-FORCES  3.3571000000e-03  4.1000000000e-04  8.2260000000e-03  2.8500000000e-04  1.5137000000e-03 -9.8418000000e-03 -2.4369000000e-03  3.5340000000e-04  2.0434000000e-03  4.8364000000e-03 -7.1320000000e-04  3.0815000000e-03 -4.2116000000e-03 -5.1069000000e-03 -6.5190000000e-04 -1.8299000000e-03  3.5430000000e-03 -2.8572000000e-03
-
-JOB 12
-COORDS  3.9380000000e-03 -1.5362800000e-01  1.5077550000e+00  4.9121700000e-01 -1.4778600000e-01  6.8388800000e-01 -5.3018200000e-01 -9.4680100000e-01  1.4650500000e+00  3.0949000000e-02  2.4403700000e-01 -1.4119480000e+00 -8.6971400000e-01 -7.8986000000e-02 -1.4383030000e+00  4.5505900000e-01 -1.6582700000e-01 -2.1658540000e+00
-ENERGY -1.526584702162e+02
-FORCES  1.0005000000e-03 -1.3688000000e-03 -8.9100000000e-03 -3.9350000000e-04 -2.0313000000e-03  8.3139000000e-03  9.0630000000e-04  2.8291000000e-03 -2.8100000000e-04 -4.3372000000e-03 -9.4030000000e-04 -3.3995000000e-03  4.9518000000e-03  1.5520000000e-04 -1.0550000000e-04 -2.1279000000e-03  1.3561000000e-03  4.3822000000e-03
-
-JOB 13
-COORDS  7.1916700000e-01 -1.1484680000e+00  5.5146600000e-01  1.2169710000e+00 -3.9723500000e-01  8.7406900000e-01  1.0329640000e+00 -1.8865590000e+00  1.0739460000e+00 -7.8228000000e-01  1.1897360000e+00 -5.5498700000e-01 -9.4307600000e-01  2.4613800000e-01 -5.5518100000e-01 -3.5099900000e-01  1.3598620000e+00 -1.3924150000e+00
-ENERGY -1.526591687703e+02
-FORCES  3.3381000000e-03  2.0255000000e-03  3.7789000000e-03 -5.7480000000e-04 -5.3123000000e-03 -9.2980000000e-04 -1.0722000000e-03  3.6940000000e-03 -1.9360000000e-03  1.2781000000e-03 -6.6200000000e-03 -2.4814000000e-03 -1.8665000000e-03  6.4654000000e-03 -1.8098000000e-03 -1.1026000000e-03 -2.5260000000e-04  3.3782000000e-03
-
-JOB 14
-COORDS  9.5461000000e-02  7.2322000000e-02 -1.5409060000e+00 -2.0820500000e-01  9.6799600000e-01 -1.6885090000e+00  2.0831300000e-01  1.0420000000e-02 -5.9240000000e-01 -8.1359000000e-02 -1.4963200000e-01  1.4487270000e+00 -8.6268900000e-01 -1.1483100000e-01  2.0005830000e+00  5.3407400000e-01  4.5330600000e-01  1.8657880000e+00
-ENERGY -1.526603533670e+02
-FORCES -2.0989000000e-03  1.5576000000e-03  8.6151000000e-03  1.0561000000e-03 -2.5978000000e-03  4.7600000000e-04  2.9934000000e-03  1.8719000000e-03 -9.1760000000e-03 -2.9427000000e-03  9.8450000000e-04  4.6368000000e-03  4.4034000000e-03  5.2970000000e-04 -1.3279000000e-03 -3.4112000000e-03 -2.3459000000e-03 -3.2239000000e-03
-
-JOB 15
-COORDS -1.2446520000e+00  6.1187400000e-01 -7.4608200000e-01 -5.6717800000e-01  1.2825610000e+00 -6.5982700000e-01 -7.5989700000e-01 -2.0714600000e-01 -8.4831300000e-01  1.2257660000e+00 -6.2697600000e-01  7.2824400000e-01  1.0553050000e+00  3.1412000000e-01  7.6715000000e-01  4.1563100000e-01 -1.0306810000e+00  1.0395890000e+00
-ENERGY -1.526549150387e+02
-FORCES  7.0261000000e-03 -1.5287000000e-03 -2.1119000000e-03 -2.0465000000e-03 -2.4609000000e-03  2.1976000000e-03 -4.3113000000e-03  2.9175000000e-03  2.1722000000e-03 -5.0487000000e-03  3.0190000000e-03  4.3537000000e-03  7.0840000000e-04 -2.8173000000e-03 -2.9213000000e-03  3.6719000000e-03  8.7040000000e-04 -3.6903000000e-03
-
-JOB 16
-COORDS -5.2324000000e-01  1.4020290000e+00 -1.7585300000e-01 -9.0955600000e-01  6.2959500000e-01  2.3686700000e-01 -1.2739060000e+00  1.9367660000e+00 -4.3428600000e-01  5.7419800000e-01 -1.3335750000e+00  1.8414800000e-01  1.0978550000e+00 -1.9840710000e+00  6.5198500000e-01  3.3004600000e-01 -1.7656450000e+00 -6.3434900000e-01
-ENERGY -1.526561969587e+02
-FORCES -2.1875000000e-03 -3.7333000000e-03  2.5014000000e-03 -2.0798000000e-03  6.1811000000e-03 -2.6769000000e-03  3.1249000000e-03 -2.9282000000e-03  7.1760000000e-04  3.1023000000e-03 -3.7037000000e-03 -2.4037000000e-03 -2.1435000000e-03  2.8002000000e-03 -2.4149000000e-03  1.8370000000e-04  1.3839000000e-03  4.2765000000e-03
-
-JOB 17
-COORDS  8.5439100000e-01 -1.2136070000e+00 -3.8443700000e-01  1.6371740000e+00 -8.5605400000e-01  3.4656000000e-02  3.8392200000e-01 -1.6549700000e+00  3.2273400000e-01 -8.8386200000e-01  1.2760350000e+00  3.5592200000e-01 -5.6351800000e-01  4.2507300000e-01  6.5504400000e-01 -9.7077400000e-01  1.1798990000e+00 -5.9246400000e-01
-ENERGY -1.526560096013e+02
-FORCES  3.8726000000e-03 -1.4944000000e-03  3.2581000000e-03 -4.6589000000e-03 -1.7144000000e-03 -1.5112000000e-03  5.8040000000e-04  5.5393000000e-03 -2.7985000000e-03  3.7306000000e-03 -6.9846000000e-03 -6.1773000000e-03 -2.1749000000e-03  2.1358000000e-03  3.8364000000e-03 -1.3498000000e-03  2.5183000000e-03  3.3925000000e-03
-
-JOB 18
-COORDS  1.2988900000e+00  9.1222700000e-01 -8.1841000000e-02  7.8848000000e-01  1.0928000000e-01  2.2992000000e-02  1.1809130000e+00  1.1533550000e+00 -1.0006290000e+00 -1.2297660000e+00 -8.1819500000e-01  1.4525400000e-01 -1.5270040000e+00 -1.0922590000e+00 -7.2237000000e-01 -1.4737020000e+00 -1.5419680000e+00  7.2221200000e-01
-ENERGY -1.526589285682e+02
-FORCES -7.2515000000e-03 -4.1253000000e-03 -1.7179000000e-03  7.9210000000e-03  4.0127000000e-03 -1.4423000000e-03  5.6450000000e-04 -8.3440000000e-04  2.6306000000e-03 -4.7439000000e-03 -3.7893000000e-03 -2.8270000000e-04  2.3412000000e-03  1.4186000000e-03  3.9969000000e-03  1.1688000000e-03  3.3177000000e-03 -3.1846000000e-03
-
-JOB 19
-COORDS  1.4708230000e+00 -4.1030100000e-01 -1.4022000000e-02  1.4732390000e+00  5.4015200000e-01  9.9396000000e-02  2.2123820000e+00 -5.8471700000e-01 -5.9359200000e-01 -1.5591860000e+00  3.9443900000e-01  4.2260000000e-03 -1.0242850000e+00  8.0799100000e-01  6.8178600000e-01 -1.2651120000e+00 -5.1634000000e-01 -1.1066000000e-02
-ENERGY -1.526560316800e+02
-FORCES  3.0933000000e-03  3.8540000000e-03 -3.4762000000e-03 -5.6260000000e-04 -4.0326000000e-03  1.2629000000e-03 -3.1635000000e-03  9.1330000000e-04  2.4096000000e-03  6.4453000000e-03 -4.6578000000e-03  2.2702000000e-03 -1.2380000000e-03  5.4240000000e-04 -2.6829000000e-03 -4.5745000000e-03  3.3807000000e-03  2.1640000000e-04
-
-JOB 20
-COORDS -1.3073170000e+00 -6.5986400000e-01  3.2316300000e-01 -1.9458160000e+00 -1.1800230000e+00  8.1100100000e-01 -1.7589720000e+00 -4.2371100000e-01 -4.8706600000e-01  1.4118800000e+00  6.5867400000e-01 -3.5437500000e-01  5.5259100000e-01  3.1689800000e-01 -1.0730600000e-01  1.6088390000e+00  1.3171880000e+00  3.1180800000e-01
-ENERGY -1.526602960909e+02
-FORCES -5.0102000000e-03 -3.2158000000e-03  4.2880000000e-04  1.5194000000e-03  2.4119000000e-03 -3.0514000000e-03  2.9630000000e-03 -6.8620000000e-04  4.2545000000e-03 -5.0926000000e-03 -1.3508000000e-03  5.3001000000e-03  6.1007000000e-03  4.9029000000e-03 -4.6838000000e-03 -4.8040000000e-04 -2.0619000000e-03 -2.2481000000e-03
-
-JOB 21
-COORDS  7.0833600000e-01  1.3422600000e+00  2.6713400000e-01 -1.1049100000e-01  1.2211150000e+00  7.4784000000e-01  1.2832090000e+00  1.7966360000e+00  8.8300300000e-01 -6.5449900000e-01 -1.3313080000e+00 -3.8414800000e-01 -1.5885360000e+00 -1.5383910000e+00 -3.5376600000e-01 -3.2469900000e-01 -1.5830020000e+00  4.7847300000e-01
-ENERGY -1.526527184713e+02
-FORCES -3.1185000000e-03  4.5860000000e-04  2.6345000000e-03  3.9374000000e-03  1.7182000000e-03  2.4600000000e-05 -2.3891000000e-03 -3.0318000000e-03 -2.6359000000e-03  9.8000000000e-06 -2.6715000000e-03  2.8282000000e-03  4.1644000000e-03  2.2277000000e-03  2.1880000000e-04 -2.6040000000e-03  1.2989000000e-03 -3.0703000000e-03
-
-JOB 22
-COORDS -7.9146700000e-01  3.5657700000e-01  1.2587810000e+00 -1.5599860000e+00  7.1033000000e-02  1.7528210000e+00 -1.0816490000e+00  1.1432590000e+00  7.9709000000e-01  8.7290900000e-01 -4.2311700000e-01 -1.3146140000e+00  1.0297650000e+00  5.1119000000e-01 -1.1778760000e+00  3.3662300000e-01 -6.8830500000e-01 -5.6741500000e-01
-ENERGY -1.526587116935e+02
-FORCES -5.4790000000e-03  2.9504000000e-03  1.9255000000e-03  3.3753000000e-03  1.5588000000e-03 -2.4717000000e-03  2.2087000000e-03 -3.9300000000e-03  1.5346000000e-03 -2.5206000000e-03  2.7392000000e-03  7.5392000000e-03 -8.4350000000e-04 -2.2424000000e-03 -1.6515000000e-03  3.2591000000e-03 -1.0761000000e-03 -6.8761000000e-03
-
-JOB 23
-COORDS -1.3667210000e+00 -2.3452500000e-01  6.2382800000e-01 -1.9106960000e+00 -8.3237500000e-01  1.1109300000e-01 -1.9927640000e+00  3.1974200000e-01  1.0897580000e+00  1.4536300000e+00  2.3130600000e-01 -6.8689000000e-01  5.7628900000e-01  4.9777900000e-01 -4.1212400000e-01  1.9126920000e+00  3.7874000000e-02  1.3047000000e-01
-ENERGY -1.526599286833e+02
-FORCES -5.9495000000e-03 -2.2916000000e-03 -1.5800000000e-05  1.7406000000e-03  3.2336000000e-03  2.8552000000e-03  3.0282000000e-03 -2.5235000000e-03 -2.3379000000e-03 -5.4862000000e-03 -1.0441000000e-03  6.3938000000e-03  7.0845000000e-03  1.7436000000e-03 -3.9244000000e-03 -4.1760000000e-04  8.8190000000e-04 -2.9708000000e-03
-
-JOB 24
-COORDS -9.1344000000e-02  1.5819220000e+00  2.3946900000e-01  3.4957700000e-01  1.2087930000e+00 -5.2381000000e-01  5.8484700000e-01  1.6120960000e+00  9.1629100000e-01  3.9505000000e-02 -1.5820580000e+00 -2.8696400000e-01  6.5405900000e-01 -1.3391470000e+00  4.0553100000e-01 -8.2472000000e-01 -1.4216270000e+00  9.1994000000e-02
-ENERGY -1.526561875801e+02
-FORCES  4.6082000000e-03 -2.0955000000e-03 -2.5598000000e-03 -1.1585000000e-03  3.5309000000e-03  4.2118000000e-03 -2.8835000000e-03 -1.5779000000e-03 -2.4111000000e-03 -3.1998000000e-03  3.2524000000e-03  6.0154000000e-03 -9.1110000000e-04 -4.8090000000e-04 -3.3307000000e-03  3.5447000000e-03 -2.6291000000e-03 -1.9255000000e-03
-
-JOB 25
-COORDS  7.3926200000e-01 -6.8473000000e-02 -1.4339150000e+00  2.1419000000e-01 -4.4033300000e-01 -2.1426120000e+00  1.6268100000e-01 -9.2048000000e-02 -6.7021900000e-01 -6.6987800000e-01  6.2388000000e-02  1.3798070000e+00 -9.3607800000e-01  9.7850300000e-01  1.4579240000e+00 -4.9736300000e-01 -2.1495500000e-01  2.2795570000e+00
-ENERGY -1.526606020201e+02
-FORCES -4.7334000000e-03 -2.1544000000e-03  3.9828000000e-03  1.5576000000e-03  1.3769000000e-03  2.6323000000e-03  3.1079000000e-03  1.4733000000e-03 -9.0747000000e-03  5.1590000000e-04  1.6509000000e-03  6.3667000000e-03  1.2672000000e-03 -4.5342000000e-03 -6.9980000000e-04 -1.7151000000e-03  2.1876000000e-03 -3.2072000000e-03
-
-JOB 26
-COORDS -1.1902330000e+00 -1.1259370000e+00  2.8059000000e-02 -9.1742900000e-01 -1.1657560000e+00  9.4469600000e-01 -7.7707000000e-01 -3.3186200000e-01 -3.1101700000e-01  1.1231480000e+00  1.0823980000e+00 -1.3930000000e-03  9.9978400000e-01  5.2556800000e-01 -7.7012800000e-01  1.7967360000e+00  1.7093870000e+00 -2.6482200000e-01
-ENERGY -1.526554403062e+02
-FORCES  2.9479000000e-03  5.0632000000e-03  5.2397000000e-03 -2.0685000000e-03 -1.4220000000e-03 -3.5548000000e-03  1.3213000000e-03 -4.3225000000e-03 -3.3698000000e-03  4.7695000000e-03  1.5982000000e-03 -4.2784000000e-03 -4.2756000000e-03  2.2897000000e-03  4.8124000000e-03 -2.6946000000e-03 -3.2066000000e-03  1.1509000000e-03
-
-JOB 27
-COORDS -1.2674250000e+00  5.5098500000e-01 -6.7865600000e-01 -1.7085350000e+00  9.9285400000e-01  4.6883000000e-02 -1.9593070000e+00  3.9647300000e-01 -1.3218170000e+00  1.3326240000e+00 -6.2535300000e-01  7.1167300000e-01  2.0571330000e+00 -2.5186700000e-01  2.0984900000e-01  5.9245900000e-01 -4.5487000000e-02  5.3238900000e-01
-ENERGY -1.526581721296e+02
-FORCES -6.0705000000e-03 -5.6090000000e-04 -2.3547000000e-03  3.6648000000e-03 -2.5153000000e-03 -2.7330000000e-03  2.1964000000e-03  1.6679000000e-03  3.0593000000e-03 -3.0739000000e-03  3.9601000000e-03 -5.6895000000e-03 -2.0282000000e-03 -1.4684000000e-03  2.0158000000e-03  5.3115000000e-03 -1.0834000000e-03  5.7022000000e-03
-
-JOB 28
-COORDS -2.8913300000e-01  1.5129170000e+00  6.7587300000e-01  1.2659400000e-01  6.5101600000e-01  6.9886300000e-01 -1.1945890000e+00  1.3359010000e+00  4.2083000000e-01  3.1392100000e-01 -1.3949550000e+00 -6.2895900000e-01 -3.1067200000e-01 -1.7042890000e+00 -1.2850280000e+00  9.9036900000e-01 -2.0717220000e+00 -6.0372100000e-01
-ENERGY -1.526586667529e+02
-FORCES -9.7270000000e-04 -7.4486000000e-03 -2.8465000000e-03 -1.2061000000e-03  6.6155000000e-03  3.3234000000e-03  2.3230000000e-03  1.5442000000e-03  8.8350000000e-04  2.9940000000e-04 -4.4541000000e-03 -4.0723000000e-03  2.7170000000e-03  8.5300000000e-04  2.9902000000e-03 -3.1605000000e-03  2.8899000000e-03 -2.7830000000e-04
-
-JOB 29
-COORDS -1.0485800000e+00  1.2425950000e+00 -2.7117200000e-01 -9.0721200000e-01  3.8528700000e-01  1.3041100000e-01 -1.8537460000e+00  1.5667960000e+00  1.3235200000e-01  1.0185690000e+00 -1.1953220000e+00  2.4822200000e-01  1.7538680000e+00 -6.4827500000e-01 -2.8014000000e-02  1.3625270000e+00 -2.0883330000e+00  2.2689800000e-01
-ENERGY -1.526593008123e+02
-FORCES -1.2876000000e-03 -4.0787000000e-03  3.2313000000e-03 -3.7570000000e-03  6.9678000000e-03 -1.6326000000e-03  2.9284000000e-03 -1.5478000000e-03 -1.3611000000e-03  5.6372000000e-03 -1.7478000000e-03 -1.8481000000e-03 -2.7163000000e-03 -3.4600000000e-03  1.5631000000e-03 -8.0480000000e-04  3.8664000000e-03  4.7500000000e-05
-
-JOB 30
-COORDS -1.1137940000e+00 -9.6001300000e-01  6.1156900000e-01 -1.1492930000e+00 -1.7630890000e+00  1.1312240000e+00 -1.7667210000e+00 -3.8596300000e-01  1.0120500000e+00  1.1777030000e+00  1.0105620000e+00 -6.1894500000e-01  2.6843900000e-01  7.1384700000e-01 -6.5677200000e-01  1.6082540000e+00  5.5781100000e-01 -1.3441170000e+00
-ENERGY -1.526571569271e+02
-FORCES -1.5726000000e-03 -2.5538000000e-03  5.4258000000e-03 -7.1730000000e-04  3.3337000000e-03 -1.9477000000e-03  3.1239000000e-03 -2.0503000000e-03 -2.5758000000e-03 -3.6525000000e-03 -5.9531000000e-03 -1.3440000000e-03  3.9117000000e-03  5.3609000000e-03 -1.9981000000e-03 -1.0932000000e-03  1.8627000000e-03  2.4398000000e-03
-
-JOB 31
-COORDS  1.4337520000e+00  5.8074900000e-01  5.9335400000e-01  9.3047500000e-01 -1.8875500000e-01  8.5945000000e-01  1.3402970000e+00  1.1928230000e+00  1.3233300000e+00 -1.4672330000e+00 -5.7893100000e-01 -6.3521100000e-01 -7.6198700000e-01 -4.5722400000e-01  4.3600000000e-04 -1.0186120000e+00 -6.8411500000e-01 -1.4742030000e+00
-ENERGY -1.526521415862e+02
-FORCES -5.3840000000e-04  8.8350000000e-04  5.7472000000e-03 -3.1250000000e-03  3.5453000000e-03 -4.8760000000e-03  6.0740000000e-04 -3.1878000000e-03 -3.5413000000e-03  6.2022000000e-03  2.6878000000e-03 -2.6455000000e-03 -3.8660000000e-04 -3.4335000000e-03  1.9656000000e-03 -2.7597000000e-03 -4.9520000000e-04  3.3499000000e-03
-
-JOB 32
-COORDS -1.0720390000e+00  9.8323800000e-01  6.5911300000e-01 -1.6044530000e+00  8.2071600000e-01  1.4378000000e+00 -8.2843700000e-01  1.9066870000e+00  7.2340300000e-01  1.1488230000e+00 -1.0399960000e+00 -6.7258200000e-01  1.1237400000e+00 -8.5677800000e-01 -1.6117490000e+00  2.3772000000e-01 -9.6465100000e-01 -3.8895400000e-01
-ENERGY -1.526576744678e+02
-FORCES  2.1780000000e-04  4.9354000000e-03  3.8055000000e-03  2.3999000000e-03  3.9190000000e-04 -3.4998000000e-03 -2.1155000000e-03 -3.5094000000e-03  8.4300000000e-05 -5.8461000000e-03  3.4829000000e-03 -9.6410000000e-04  5.1220000000e-04 -6.7310000000e-04  3.1570000000e-03  4.8316000000e-03 -4.6277000000e-03 -2.5829000000e-03
-
-JOB 33
-COORDS -1.6457150000e+00 -4.5516100000e-01  6.6131000000e-02 -7.2397200000e-01 -2.1368700000e-01 -2.5039000000e-02 -1.8870180000e+00 -1.5457600000e-01  9.4228900000e-01  1.5579910000e+00  3.9483600000e-01 -1.2784800000e-01  1.8412830000e+00  5.3056000000e-01  7.7634000000e-01  2.2233600000e+00  8.3534400000e-01 -6.5649500000e-01
-ENERGY -1.526593584267e+02
-FORCES  5.3483000000e-03  2.7520000000e-03  1.6022000000e-03 -8.4585000000e-03 -2.3146000000e-03  2.1704000000e-03  1.0327000000e-03 -1.0857000000e-03 -2.7705000000e-03  6.2060000000e-03  2.9368000000e-03 -2.2270000000e-04 -2.0838000000e-03 -4.3770000000e-04 -4.0063000000e-03 -2.0448000000e-03 -1.8509000000e-03  3.2268000000e-03
-
-JOB 34
-COORDS  1.0975600000e+00 -9.8662300000e-01  7.8897000000e-01  7.2659500000e-01 -2.0651800000e-01  1.2013440000e+00  8.2436300000e-01 -1.7095520000e+00  1.3537440000e+00 -1.0113050000e+00  1.0169850000e+00 -8.1054900000e-01 -1.9549160000e+00  1.1379450000e+00 -9.1636800000e-01 -7.9779100000e-01  2.8134600000e-01 -1.3845520000e+00
-ENERGY -1.526572768872e+02
-FORCES -3.3671000000e-03  2.1644000000e-03  4.0478000000e-03  3.2478000000e-03 -4.8311000000e-03  8.1800000000e-05  8.1250000000e-04  2.7377000000e-03 -2.3885000000e-03 -1.9935000000e-03 -3.4784000000e-03 -3.8705000000e-03  3.8338000000e-03 -8.3190000000e-04  6.8580000000e-04 -2.5336000000e-03  4.2394000000e-03  1.4436000000e-03
-
-JOB 35
-COORDS  7.9079400000e-01 -1.1744300000e+00  1.0441270000e+00  1.5448060000e+00 -5.8478300000e-01  1.0478870000e+00  2.6172300000e-01 -8.8272600000e-01  3.0168200000e-01 -7.6054700000e-01  1.0848420000e+00 -9.7091200000e-01 -5.4288900000e-01  1.8299010000e+00 -1.5310410000e+00 -1.7170940000e+00  1.0503090000e+00 -9.7843400000e-01
-ENERGY -1.526587053036e+02
-FORCES -2.8230000000e-04  6.0739000000e-03 -4.5259000000e-03 -1.6741000000e-03 -2.6885000000e-03  6.5080000000e-04  2.4505000000e-03 -5.0053000000e-03  4.5188000000e-03 -3.4712000000e-03  4.5154000000e-03 -2.8052000000e-03 -1.3918000000e-03 -2.9418000000e-03  2.4576000000e-03  4.3689000000e-03  4.6400000000e-05 -2.9620000000e-04
-
-JOB 36
-COORDS  1.5914240000e+00  3.5418000000e-01  3.7470900000e-01  1.8859940000e+00  9.8745800000e-01  1.0292470000e+00  2.2550710000e+00 -3.3538300000e-01  3.9224800000e-01 -1.6936680000e+00 -3.5487900000e-01 -3.8662400000e-01 -1.0660900000e+00 -1.0208270000e+00 -6.6750000000e-01 -1.2700730000e+00  4.7756400000e-01 -5.9599700000e-01
-ENERGY -1.526563889358e+02
-FORCES  4.1732000000e-03 -1.7240000000e-04  4.0436000000e-03 -9.5170000000e-04 -2.5719000000e-03 -3.0225000000e-03 -2.9967000000e-03  2.7387000000e-03 -2.6900000000e-04  7.7018000000e-03  1.4431000000e-03 -7.3310000000e-04 -3.7234000000e-03  8.4170000000e-04  1.2560000000e-04 -4.2031000000e-03 -2.2792000000e-03 -1.4450000000e-04
-
-JOB 37
-COORDS  1.3567370000e+00 -9.3713000000e-01  4.2443500000e-01  1.5602940000e+00 -4.9894700000e-01 -4.0187800000e-01  2.1743760000e+00 -1.3664520000e+00  6.7619200000e-01 -1.4140320000e+00  9.7640600000e-01 -4.5013000000e-01 -6.9507200000e-01  8.2814600000e-01  1.6415500000e-01 -2.1308610000e+00  4.3774700000e-01 -1.1511700000e-01
-ENERGY -1.526577786932e+02
-FORCES  5.4171000000e-03 -1.5505000000e-03 -2.6197000000e-03 -9.2750000000e-04 -1.1918000000e-03  4.8546000000e-03 -3.3146000000e-03  1.6507000000e-03 -1.5688000000e-03  2.5720000000e-04 -4.1829000000e-03  5.1436000000e-03 -3.4690000000e-03  2.7052000000e-03 -4.3211000000e-03  2.0368000000e-03  2.5693000000e-03 -1.4886000000e-03
-
-JOB 38
-COORDS  4.6416400000e-01  8.9524800000e-01 -1.4447940000e+00  1.2351990000e+00  4.6156500000e-01 -1.0792030000e+00  4.5205600000e-01  1.7560910000e+00 -1.0264220000e+00 -5.1714200000e-01 -9.8313300000e-01  1.3825670000e+00 -1.1309520000e+00 -2.6666900000e-01  1.2208630000e+00  2.3294000000e-01 -5.6558600000e-01  1.8059620000e+00
-ENERGY -1.526536257361e+02
-FORCES  3.6072000000e-03  1.3710000000e-04  2.7148000000e-03 -2.5552000000e-03  3.0129000000e-03 -1.5058000000e-03 -5.5530000000e-04 -3.9176000000e-03 -8.5170000000e-04 -4.5830000000e-04  5.2068000000e-03 -6.5050000000e-04  2.2677000000e-03 -2.8879000000e-03  2.4453000000e-03 -2.3062000000e-03 -1.5512000000e-03 -2.1520000000e-03
-
-JOB 39
-COORDS  5.6721300000e-01 -1.5791630000e+00 -3.3487400000e-01  1.1969320000e+00 -1.5960200000e+00 -1.0555690000e+00  1.0350480000e+00 -1.9723680000e+00  4.0184300000e-01 -6.2011900000e-01  1.6656550000e+00  3.5016600000e-01 -1.4468400000e+00  1.1835620000e+00  3.6888900000e-01  3.4445000000e-02  1.0102950000e+00  1.0875100000e-01
-ENERGY -1.526587003683e+02
-FORCES  4.8032000000e-03 -4.8633000000e-03 -2.9630000000e-04 -2.7694000000e-03  7.3740000000e-04  3.6481000000e-03 -1.9871000000e-03  2.0665000000e-03 -3.5323000000e-03 -4.1480000000e-04 -7.3512000000e-03 -1.4746000000e-03  2.1458000000e-03  2.9289000000e-03  3.6750000000e-04 -1.7778000000e-03  6.4816000000e-03  1.2876000000e-03
-
-JOB 40
-COORDS -9.1596400000e-01 -1.1909970000e+00 -9.9427000000e-01 -3.0811500000e-01 -6.2469800000e-01 -5.1881600000e-01 -6.6904900000e-01 -2.0788790000e+00 -7.3555900000e-01  8.1923600000e-01  1.1896500000e+00  9.1124100000e-01  9.1037700000e-01  1.0071170000e+00  1.8464450000e+00  1.5574810000e+00  1.7631820000e+00  7.0560500000e-01
-ENERGY -1.526588571672e+02
-FORCES  4.2024000000e-03  9.5610000000e-04  3.7544000000e-03 -4.1501000000e-03 -6.0648000000e-03 -4.1556000000e-03 -9.1760000000e-04  3.1034000000e-03 -7.8330000000e-04  3.9766000000e-03  3.9382000000e-03  3.9547000000e-03 -1.2000000000e-05  5.9250000000e-04 -4.2861000000e-03 -3.0993000000e-03 -2.5253000000e-03  1.5160000000e-03
-
-JOB 41
-COORDS  1.2077550000e+00 -9.2127800000e-01  7.7402400000e-01  1.3226890000e+00 -1.8595180000e+00  6.2327300000e-01  1.8742200000e+00 -6.9927100000e-01  1.4242310000e+00 -1.2407290000e+00  9.3881400000e-01 -8.5020900000e-01 -2.1250750000e+00  9.8310600000e-01 -4.8661400000e-01 -6.9364600000e-01  1.3883660000e+00 -2.0613200000e-01
-ENERGY -1.526541464799e+02
-FORCES  2.9167000000e-03 -4.5052000000e-03  8.3490000000e-04 -3.2000000000e-05  3.8121000000e-03  1.2235000000e-03 -3.2992000000e-03 -1.7640000000e-04 -2.8006000000e-03  6.0540000000e-04  5.7300000000e-04  5.4119000000e-03  3.2433000000e-03 -2.1960000000e-04 -1.5735000000e-03 -3.4343000000e-03  5.1610000000e-04 -3.0961000000e-03
-
-JOB 42
-COORDS  1.2102200000e-01  1.4464620000e+00 -1.1633820000e+00 -2.4526000000e-02  7.0568400000e-01 -5.7491400000e-01  5.4161700000e-01  2.1091550000e+00 -6.1550400000e-01 -1.4384300000e-01 -1.3826540000e+00  1.1117290000e+00 -7.6681400000e-01 -2.0459470000e+00  8.1477200000e-01  6.3480000000e-01 -1.8798120000e+00  1.3622880000e+00
-ENERGY -1.526589178402e+02
-FORCES  7.7970000000e-04 -1.8742000000e-03  5.9681000000e-03  4.6230000000e-04  5.7894000000e-03 -5.2318000000e-03 -1.2810000000e-03 -2.0609000000e-03 -2.2624000000e-03  6.5340000000e-04 -6.7884000000e-03  1.2038000000e-03  2.9946000000e-03  2.9380000000e-03  1.2776000000e-03 -3.6089000000e-03  1.9961000000e-03 -9.5540000000e-04
-
-JOB 43
-COORDS -1.2712600000e+00  7.9867200000e-01  1.1190460000e+00 -1.3983870000e+00  6.4116300000e-01  1.8349100000e-01 -1.1453850000e+00 -7.2898000000e-02  1.4942170000e+00  1.2562060000e+00 -7.1858900000e-01 -1.0329210000e+00  1.2820770000e+00 -3.0882800000e-01 -1.8975930000e+00  1.5460490000e+00 -1.6181100000e+00 -1.1848560000e+00
-ENERGY -1.526551786682e+02
-FORCES  2.6645000000e-03 -5.3477000000e-03 -3.4933000000e-03 -1.5499000000e-03  1.7650000000e-03  3.5684000000e-03 -1.7587000000e-03  3.3356000000e-03 -2.4240000000e-04  2.9543000000e-03 -1.7046000000e-03 -4.4447000000e-03 -7.5430000000e-04 -1.9041000000e-03  3.7285000000e-03 -1.5559000000e-03  3.8560000000e-03  8.8350000000e-04
-
-JOB 44
-COORDS  3.4666700000e-01 -2.1864700000e-01 -1.8214780000e+00  1.1060270000e+00 -1.2866900000e-01 -1.2457100000e+00  5.9921000000e-02  6.8024200000e-01 -1.9827440000e+00 -3.3162300000e-01  1.2663000000e-01  1.7567090000e+00 -1.3937100000e-01  8.6846000000e-01  2.3302570000e+00 -1.2789230000e+00  8.4340000000e-03  1.8266000000e+00
-ENERGY -1.526548570812e+02
-FORCES  1.6515000000e-03  3.9479000000e-03  4.3886000000e-03 -1.7819000000e-03 -2.2370000000e-04 -4.2453000000e-03  9.6730000000e-04 -3.2770000000e-03 -1.7880000000e-04 -4.3462000000e-03  1.4914000000e-03  2.6071000000e-03 -4.5510000000e-04 -2.8925000000e-03 -2.9847000000e-03  3.9644000000e-03  9.5390000000e-04  4.1310000000e-04
-
-JOB 45
-COORDS -1.8236600000e-01  1.1387590000e+00  1.4020830000e+00 -4.2718000000e-01  2.0123460000e+00  1.7072770000e+00 -1.0083060000e+00  7.4009000000e-01  1.1280070000e+00  2.5175000000e-01 -1.1767950000e+00 -1.4705740000e+00  6.3162000000e-02 -1.8058020000e+00 -7.7414200000e-01  4.2347800000e-01 -3.5467000000e-01 -1.0113870000e+00
-ENERGY -1.526568843121e+02
-FORCES -4.9061000000e-03  3.6983000000e-03  2.0175000000e-03  7.4320000000e-04 -3.9080000000e-03 -1.1436000000e-03  4.6702000000e-03  1.1357000000e-03  4.1460000000e-04  1.7771000000e-03  1.3251000000e-03  5.2671000000e-03 -1.9230000000e-04  2.4065000000e-03 -2.9378000000e-03 -2.0921000000e-03 -4.6576000000e-03 -3.6178000000e-03
-
-JOB 46
-COORDS -5.8273100000e-01  2.1122900000e-01 -1.7724840000e+00 -1.2679760000e+00 -4.4893500000e-01 -1.6683010000e+00  2.2075000000e-01 -2.3176200000e-01 -1.4997020000e+00  5.8822700000e-01 -1.3578500000e-01  1.6916400000e+00 -2.7323400000e-01 -3.3690100000e-01  2.0572470000e+00  1.1975520000e+00 -2.9194500000e-01  2.4131450000e+00
-ENERGY -1.526552283687e+02
-FORCES  1.7990000000e-03 -4.2455000000e-03  3.2894000000e-03  2.1406000000e-03  2.5827000000e-03 -4.4830000000e-04 -3.5963000000e-03  1.2887000000e-03 -3.5080000000e-03 -1.5215000000e-03 -3.7920000000e-04  5.3129000000e-03  3.7741000000e-03  1.4770000000e-04 -1.4415000000e-03 -2.5960000000e-03  6.0560000000e-04 -3.2044000000e-03
-
-JOB 47
-COORDS  1.4744500000e+00 -1.0026260000e+00 -2.4011400000e-01  2.3365500000e+00 -5.9242500000e-01 -3.0903900000e-01  1.5857290000e+00 -1.8640800000e+00 -6.4228900000e-01 -1.5346470000e+00  1.0293150000e+00  3.2970000000e-01 -2.2206040000e+00  1.1793550000e+00 -3.2082500000e-01 -7.4243600000e-01  8.8114500000e-01 -1.8671100000e-01
-ENERGY -1.526564749075e+02
-FORCES  4.8034000000e-03 -3.6946000000e-03 -1.1126000000e-03 -4.0469000000e-03 -1.4876000000e-03 -4.5100000000e-05 -7.0800000000e-05  3.8015000000e-03  1.5502000000e-03  2.0495000000e-03 -1.4877000000e-03 -4.5316000000e-03  2.5417000000e-03 -6.1750000000e-04  2.4391000000e-03 -5.2769000000e-03  3.4859000000e-03  1.7000000000e-03
-
-JOB 48
-COORDS -1.3421900000e+00  1.1528450000e+00 -5.9096100000e-01 -2.1114610000e+00  1.2107540000e+00 -1.1576190000e+00 -1.6654110000e+00  7.4282600000e-01  2.1131400000e-01  1.4157730000e+00 -1.0686220000e+00  5.9134900000e-01  9.7313500000e-01 -1.7221470000e+00  1.1328360000e+00  1.6330160000e+00 -1.5336830000e+00 -2.1658400000e-01
-ENERGY -1.526531806184e+02
-FORCES -3.5997000000e-03 -1.6261000000e-03  1.9932000000e-03  3.4513000000e-03 -4.9750000000e-04  2.1280000000e-03  1.2940000000e-04  1.8381000000e-03 -3.4098000000e-03 -7.5110000000e-04 -4.0465000000e-03 -2.4182000000e-03  1.2166000000e-03  3.0311000000e-03 -1.9951000000e-03 -4.4640000000e-04  1.3010000000e-03  3.7020000000e-03
-
-JOB 49
-COORDS -1.8452690000e+00  2.5375000000e-01 -2.6113100000e-01 -1.7893810000e+00  1.0536260000e+00  2.6165700000e-01 -2.3497920000e+00 -3.5259500000e-01  2.8111900000e-01  1.8183980000e+00 -2.3395700000e-01  2.1953900000e-01  1.8935240000e+00 -1.1730470000e+00  5.0133000000e-02  2.7114690000e+00  9.8419000000e-02  1.2909100000e-01
-ENERGY -1.526533896745e+02
-FORCES -7.0400000000e-05  1.2892000000e-03  4.9158000000e-03 -1.4636000000e-03 -2.8851000000e-03 -2.2298000000e-03  1.9055000000e-03  2.0883000000e-03 -2.3615000000e-03  3.2185000000e-03 -3.0886000000e-03 -1.9784000000e-03  2.9400000000e-04  3.6826000000e-03  1.1760000000e-03 -3.8839000000e-03 -1.0863000000e-03  4.7790000000e-04
-
-JOB 50
-COORDS  1.8840480000e+00 -2.1849500000e-01  4.0233600000e-01  1.5690650000e+00  1.5066100000e-01 -4.2273400000e-01  2.5793080000e+00 -8.2378200000e-01  1.4450900000e-01 -1.8833270000e+00  3.0093100000e-01 -3.1800200000e-01 -1.3639530000e+00 -3.1245400000e-01 -8.3785000000e-01 -2.7133000000e+00 -1.5247100000e-01 -1.7034300000e-01
-ENERGY -1.526535078693e+02
-FORCES  1.9317000000e-03  2.2120000000e-04 -3.9347000000e-03  1.1084000000e-03 -2.7465000000e-03  2.8706000000e-03 -3.2544000000e-03  2.3713000000e-03  1.0865000000e-03 -1.3800000000e-03 -5.0840000000e-03 -2.6350000000e-04 -1.6616000000e-03  3.2955000000e-03  1.0215000000e-03  3.2558000000e-03  1.9425000000e-03 -7.8050000000e-04
-
-JOB 51
-COORDS  5.9807800000e-01  1.0288920000e+00  1.6331140000e+00  1.4131850000e+00  5.6857900000e-01  1.4332550000e+00 -8.7441000000e-02  4.7832400000e-01  1.2547340000e+00 -5.9088100000e-01 -9.4585300000e-01 -1.5396960000e+00 -1.3688130000e+00 -1.4623090000e+00 -1.7502330000e+00 -8.0830000000e-02 -9.3915900000e-01 -2.3496560000e+00
-ENERGY -1.526566984150e+02
-FORCES -1.1470000000e-04 -4.8470000000e-03 -4.0841000000e-03 -2.4079000000e-03  2.1345000000e-03  1.3865000000e-03  2.5935000000e-03  2.9468000000e-03  3.8803000000e-03 -1.1809000000e-03 -1.9934000000e-03 -5.4786000000e-03  3.3339000000e-03  2.1831000000e-03  9.6570000000e-04 -2.2238000000e-03 -4.2390000000e-04  3.3301000000e-03
-
-JOB 52
-COORDS -1.8830490000e+00  4.3552800000e-01 -6.1976000000e-02 -2.1216870000e+00  4.3789300000e-01 -9.8894900000e-01 -2.1860590000e+00  1.2821960000e+00  2.6600300000e-01  1.8955640000e+00 -5.4604400000e-01  9.6297000000e-02  1.2851640000e+00  1.7904600000e-01  2.3004200000e-01  2.7365120000e+00 -1.2295400000e-01 -7.7009000000e-02
-ENERGY -1.526555893271e+02
-FORCES -4.1256000000e-03  2.5509000000e-03 -2.9671000000e-03  1.0018000000e-03  4.6420000000e-04  4.1225000000e-03  2.0311000000e-03 -3.4999000000e-03 -1.4051000000e-03 -6.5460000000e-04  4.5099000000e-03  1.8600000000e-04  5.1596000000e-03 -2.4461000000e-03 -5.1880000000e-04 -3.4123000000e-03 -1.5790000000e-03  5.8240000000e-04
-
-JOB 53
-COORDS  1.4886540000e+00  1.1223480000e+00  8.1591300000e-01  7.6992700000e-01  1.0627760000e+00  1.4452880000e+00  1.0568640000e+00  1.1979410000e+00 -3.5013000000e-02 -1.4266160000e+00 -1.0637360000e+00 -8.1429600000e-01 -1.3025810000e+00 -1.4469440000e+00  5.4035000000e-02 -1.3324530000e+00 -1.8008790000e+00 -1.4176080000e+00
-ENERGY -1.526559459154e+02
-FORCES -5.4871000000e-03  1.3830000000e-04 -1.9647000000e-03  3.0482000000e-03 -1.8930000000e-04 -1.7836000000e-03  3.0011000000e-03  5.5400000000e-04  3.9758000000e-03  6.3610000000e-04 -5.7855000000e-03  6.1600000000e-04 -6.5060000000e-04  2.2276000000e-03 -3.4029000000e-03 -5.4770000000e-04  3.0549000000e-03  2.5595000000e-03
-
-JOB 54
-COORDS -6.1548000000e-02 -1.3043610000e+00  1.5302840000e+00 -8.6608700000e-01 -1.1952860000e+00  2.0372860000e+00  2.0800500000e-01 -4.1198200000e-01  1.3129540000e+00  1.2719400000e-01  1.2033510000e+00 -1.5385870000e+00 -2.7610200000e-01  1.8105850000e+00 -9.1822400000e-01 -1.6834200000e-01  1.5059970000e+00 -2.3972470000e+00
-ENERGY -1.526538418365e+02
-FORCES -1.7192000000e-03  4.1384000000e-03 -2.4520000000e-04  3.1697000000e-03 -2.7000000000e-04 -2.0026000000e-03 -1.5722000000e-03 -3.2381000000e-03  2.6515000000e-03 -3.0855000000e-03  3.5953000000e-03 -2.6223000000e-03  1.9805000000e-03 -3.2217000000e-03 -1.4499000000e-03  1.2268000000e-03 -1.0039000000e-03  3.6685000000e-03
-
-JOB 55
-COORDS -7.2818700000e-01  1.5125990000e+00 -1.1006230000e+00 -3.4407100000e-01  2.3377620000e+00 -8.0432500000e-01 -9.8936000000e-01  1.0665080000e+00 -2.9500300000e-01  6.9009900000e-01 -1.5814240000e+00  1.0755560000e+00  1.5175600000e+00 -1.1585910000e+00  1.3052350000e+00  4.2878100000e-01 -1.1667220000e+00  2.5338400000e-01
-ENERGY -1.526554465117e+02
-FORCES -8.8570000000e-04  3.3525000000e-03  4.4622000000e-03 -1.4680000000e-03 -3.6763000000e-03 -1.2973000000e-03  2.5700000000e-03  8.0710000000e-04 -4.2805000000e-03  3.5150000000e-03  2.4257000000e-03 -3.3713000000e-03 -3.6372000000e-03 -1.5768000000e-03 -5.7280000000e-04 -9.4100000000e-05 -1.3322000000e-03  5.0596000000e-03
-
-JOB 56
-COORDS  1.4944620000e+00 -7.4049400000e-01  1.2041050000e+00  1.3972130000e+00 -2.0304700000e-01  1.9901880000e+00  1.9787160000e+00 -1.8578300000e-01  5.9252900000e-01 -1.4898680000e+00  6.2626400000e-01 -1.2403710000e+00 -2.2669340000e+00  1.0882010000e+00 -1.5550360000e+00 -1.2290420000e+00  1.1040620000e+00 -4.5302700000e-01
-ENERGY -1.526536547480e+02
-FORCES  2.2305000000e-03  3.5489000000e-03  2.3940000000e-04 -1.2080000000e-04 -1.8748000000e-03 -3.5161000000e-03 -2.1162000000e-03 -1.9226000000e-03  3.0973000000e-03 -2.2029000000e-03  3.1515000000e-03  2.4776000000e-03  3.2600000000e-03 -1.9476000000e-03  1.3261000000e-03 -1.0506000000e-03 -9.5540000000e-04 -3.6242000000e-03
-
-JOB 57
-COORDS  7.9326400000e-01  8.3350000000e-01 -1.7345170000e+00  1.6668580000e+00  1.2219050000e+00 -1.7814820000e+00  6.2087900000e-01  7.4311700000e-01 -7.9731600000e-01 -7.9419600000e-01 -7.9125700000e-01  1.6655720000e+00 -7.6438500000e-01 -1.1623320000e+00  2.5474150000e+00 -1.3867180000e+00 -1.3674080000e+00  1.1826660000e+00
-ENERGY -1.526567416669e+02
-FORCES  2.4722000000e-03  9.1310000000e-04  4.6600000000e-03 -3.2692000000e-03 -1.4277000000e-03  3.6000000000e-05  1.3698000000e-03  1.1671000000e-03 -5.6797000000e-03 -2.8584000000e-03 -4.5032000000e-03  2.3206000000e-03 -3.0490000000e-04  1.3690000000e-03 -3.6490000000e-03  2.5904000000e-03  2.4818000000e-03  2.3122000000e-03
-
-JOB 58
-COORDS  1.2720070000e+00 -1.2759080000e+00  9.4981000000e-01  1.3364870000e+00 -8.1839400000e-01  1.7881150000e+00  1.0031730000e+00 -2.1648550000e+00  1.1816170000e+00 -1.3218730000e+00  1.2862140000e+00 -1.0148130000e+00 -8.8282900000e-01  2.0813340000e+00 -7.1272600000e-01 -6.3181600000e-01  6.2309100000e-01 -1.0327500000e+00
-ENERGY -1.526563960480e+02
-FORCES -6.3810000000e-04 -2.6888000000e-03  5.2432000000e-03 -1.6750000000e-04 -1.7489000000e-03 -3.6649000000e-03  1.3028000000e-03  3.7550000000e-03 -8.7220000000e-04  5.3899000000e-03 -4.6470000000e-04  1.4189000000e-03 -1.9275000000e-03 -2.7322000000e-03 -1.0495000000e-03 -3.9596000000e-03  3.8796000000e-03 -1.0754000000e-03
-
-JOB 59
-COORDS  1.7772910000e+00  9.5436600000e-01 -5.3975300000e-01  1.9260880000e+00  1.6736470000e+00 -1.1535340000e+00  1.0129890000e+00  4.9556900000e-01 -8.8843500000e-01 -1.7070470000e+00 -9.6687000000e-01  6.5332100000e-01 -2.2753340000e+00 -3.0612900000e-01  2.5746300000e-01 -1.7442650000e+00 -1.7084510000e+00  4.9249000000e-02
-ENERGY -1.526541284303e+02
-FORCES -3.0314000000e-03  4.8800000000e-04 -3.0674000000e-03 -7.7420000000e-04 -2.9041000000e-03  2.4872000000e-03  3.8593000000e-03  2.4614000000e-03 -4.7700000000e-05 -3.6876000000e-03 -9.4080000000e-04 -2.6628000000e-03  2.9939000000e-03 -2.7648000000e-03  1.1332000000e-03  6.4000000000e-04  3.6603000000e-03  2.1574000000e-03
-
-JOB 60
-COORDS  1.2892920000e+00  1.2888910000e+00 -1.0338030000e+00  8.1501200000e-01  2.0780160000e+00 -1.2956630000e+00  1.4981080000e+00  1.4297320000e+00 -1.1033600000e-01 -1.2281780000e+00 -1.3731060000e+00  1.0503720000e+00 -2.0540990000e+00 -8.9759500000e-01  1.1396800000e+00 -1.0792600000e+00 -1.4201760000e+00  1.0599900000e-01
-ENERGY -1.526553591490e+02
-FORCES -4.3580000000e-04  3.9174000000e-03  3.3686000000e-03  1.6360000000e-03 -3.3837000000e-03  1.0053000000e-03 -6.8350000000e-04 -3.6300000000e-05 -4.3044000000e-03 -2.2720000000e-03  1.6673000000e-03 -4.3121000000e-03  3.2794000000e-03 -1.7172000000e-03 -1.6840000000e-04 -1.5241000000e-03 -4.4750000000e-04  4.4110000000e-03
-
-JOB 61
-COORDS  1.9249580000e+00  2.5505800000e-01 -7.5754000000e-01  2.7846360000e+00  6.6963700000e-01 -8.3039900000e-01  2.1066680000e+00 -6.1221300000e-01 -3.9552600000e-01 -2.0016780000e+00 -2.7710200000e-01  7.7003500000e-01 -1.1038530000e+00  5.1825000000e-02  8.1418600000e-01 -2.4535510000e+00  3.3578400000e-01  1.9002400000e-01
-ENERGY -1.526561078337e+02
-FORCES  5.3223000000e-03 -2.0155000000e-03  3.1940000000e-04 -3.5387000000e-03 -1.8709000000e-03  2.9090000000e-04 -1.0126000000e-03  4.0647000000e-03 -1.1050000000e-03  2.5579000000e-03  4.3227000000e-03 -2.9357000000e-03 -4.5365000000e-03 -2.0703000000e-03  9.3090000000e-04  1.2076000000e-03 -2.4306000000e-03  2.4995000000e-03
-
-JOB 62
-COORDS -1.7583790000e+00  8.7802100000e-01  1.0325500000e+00 -1.6485170000e+00  2.6424000000e-01  3.0630300000e-01 -1.1459700000e+00  1.5883460000e+00  8.4117300000e-01  1.6764080000e+00 -8.9963200000e-01 -9.1966300000e-01  1.7902280000e+00 -8.5407000000e-02 -1.4098810000e+00  2.2065100000e+00 -1.5408520000e+00 -1.3930140000e+00
-ENERGY -1.526547751408e+02
-FORCES  3.9406000000e-03 -6.8450000000e-04 -3.6231000000e-03 -1.5781000000e-03  3.2807000000e-03  2.8091000000e-03 -2.6902000000e-03 -2.2353000000e-03  6.0140000000e-04  3.7626000000e-03 -6.3300000000e-05 -3.9308000000e-03 -1.2230000000e-03 -3.1317000000e-03  2.2504000000e-03 -2.2120000000e-03  2.8341000000e-03  1.8931000000e-03
-
-JOB 63
-COORDS -5.9042700000e-01 -5.2484100000e-01 -2.1053980000e+00  3.4670900000e-01 -3.3038800000e-01 -2.0914410000e+00 -9.7225000000e-01  8.8909000000e-02 -1.4779010000e+00  5.0340800000e-01  4.5841300000e-01  2.0310130000e+00  9.8698400000e-01 -2.9339000000e-02  2.6977100000e+00  9.5359300000e-01  1.3013890000e+00  1.9766390000e+00
-ENERGY -1.526550854710e+02
-FORCES  2.3432000000e-03  3.0306000000e-03  4.1529000000e-03 -3.4945000000e-03 -6.5520000000e-04 -8.7270000000e-04  1.1166000000e-03 -2.0245000000e-03 -3.7657000000e-03  3.8847000000e-03  8.9990000000e-04  3.6112000000e-03 -1.8744000000e-03  2.3056000000e-03 -2.7333000000e-03 -1.9756000000e-03 -3.5564000000e-03 -3.9240000000e-04
-
-JOB 64
-COORDS  8.0273700000e-01 -1.9417080000e+00  4.4874700000e-01  5.0372000000e-01 -2.7428450000e+00  1.8630000000e-02  1.7511720000e+00 -2.0482470000e+00  5.2191100000e-01 -8.1598100000e-01  2.0454160000e+00 -4.1362300000e-01 -1.7225190000e+00  1.7540870000e+00 -5.1133700000e-01 -2.9167800000e-01  1.2715300000e+00 -6.1962800000e-01
-ENERGY -1.526557476625e+02
-FORCES  3.1644000000e-03 -4.6094000000e-03 -5.8020000000e-04  1.1701000000e-03  3.5641000000e-03  1.6370000000e-03 -4.0812000000e-03  4.2050000000e-04 -5.6270000000e-04 -1.1350000000e-03 -5.4505000000e-03 -4.4840000000e-04  3.2431000000e-03  1.4934000000e-03  1.1650000000e-04 -2.3614000000e-03  4.5820000000e-03 -1.6220000000e-04
-
-JOB 65
-COORDS -1.8426380000e+00  6.6071000000e-01 -1.1994470000e+00 -2.1198440000e+00  1.5768400000e+00 -1.2091890000e+00 -1.7337770000e+00  4.5277200000e-01 -2.7147000000e-01  1.8775420000e+00 -7.3848700000e-01  1.1872630000e+00  2.1051100000e+00  1.6899900000e-01  9.8499000000e-01  1.1074150000e+00 -9.1866900000e-01  6.4812300000e-01
-ENERGY -1.526543940833e+02
-FORCES -2.0413000000e-03  3.4045000000e-03  3.4428000000e-03  1.3112000000e-03 -3.9040000000e-03  8.4300000000e-05  7.9640000000e-04  4.7960000000e-04 -4.0750000000e-03 -1.5321000000e-03  2.6726000000e-03 -3.9314000000e-03 -1.1279000000e-03 -3.6227000000e-03  1.2778000000e-03  2.5937000000e-03  9.7000000000e-04  3.2015000000e-03
-
-JOB 66
-COORDS  1.1353660000e+00 -1.1537900000e+00  1.7202430000e+00  2.2519900000e-01 -1.4112220000e+00  1.8670660000e+00  1.0836740000e+00 -2.4173700000e-01  1.4343780000e+00 -1.0710420000e+00  1.1761340000e+00 -1.7135510000e+00 -1.6037760000e+00  7.7632200000e-01 -1.0261090000e+00 -9.0067000000e-01  4.6388700000e-01 -2.3299200000e+00
-ENERGY -1.526543517714e+02
-FORCES -3.3854000000e-03  3.1088000000e-03 -3.9530000000e-04  3.4396000000e-03  1.0392000000e-03 -9.5370000000e-04 -6.9100000000e-05 -4.2889000000e-03  1.5552000000e-03 -1.8175000000e-03 -4.5912000000e-03 -7.6940000000e-04  2.6917000000e-03  1.6343000000e-03 -2.1552000000e-03 -8.5930000000e-04  3.0977000000e-03  2.7186000000e-03
-
-JOB 67
-COORDS  1.1532970000e+00 -9.6664400000e-01 -1.7500350000e+00  4.8278200000e-01 -1.4945630000e+00 -2.1835590000e+00  1.4645940000e+00 -3.6878500000e-01 -2.4296600000e+00 -1.1103530000e+00  9.7602300000e-01  1.8698540000e+00 -7.4064800000e-01  1.2280210000e+00  1.0236590000e+00 -1.9016490000e+00  4.8467000000e-01  1.6492770000e+00
-ENERGY -1.526545425394e+02
-FORCES -6.7490000000e-04 -5.1710000000e-04 -4.9684000000e-03  2.5411000000e-03  2.5038000000e-03  1.9500000000e-03 -1.6004000000e-03 -2.2874000000e-03  3.0401000000e-03 -8.3240000000e-04 -1.6425000000e-03 -4.8034000000e-03 -2.2423000000e-03 -1.2980000000e-04  3.7869000000e-03  2.8089000000e-03  2.0731000000e-03  9.9480000000e-04
-
-JOB 68
-COORDS  1.6674650000e+00 -1.4630100000e-01 -1.7653680000e+00  9.0580100000e-01  4.2435100000e-01 -1.6631090000e+00  1.6840160000e+00 -6.7027400000e-01 -9.6448700000e-01 -1.6245980000e+00  1.7195900000e-01  1.6527100000e+00 -9.6934300000e-01  2.1467500000e-01  2.3491630000e+00 -2.3423220000e+00 -3.3718900000e-01  2.0293680000e+00
-ENERGY -1.526553350464e+02
-FORCES -3.9422000000e-03  2.0890000000e-04  3.9226000000e-03  3.7259000000e-03 -2.0987000000e-03 -9.7200000000e-04  6.6830000000e-04  1.9144000000e-03 -3.1714000000e-03 -1.1485000000e-03 -1.7827000000e-03  4.9547000000e-03 -2.4127000000e-03 -3.6640000000e-04 -3.2757000000e-03  3.1091000000e-03  2.1245000000e-03 -1.4583000000e-03
-
-JOB 69
-COORDS  9.3256500000e-01  1.1284110000e+00  1.9954630000e+00  1.0199100000e+00  1.4160920000e+00  1.0867040000e+00  8.7615000000e-02  1.4784820000e+00  2.2778510000e+00 -8.7302500000e-01 -1.1461200000e+00 -2.0205280000e+00 -1.5944600000e+00 -7.8001800000e-01 -1.5089310000e+00 -4.8989600000e-01 -1.8137190000e+00 -1.4515330000e+00
-ENERGY -1.526546836851e+02
-FORCES -2.5951000000e-03  3.1197000000e-03 -2.6118000000e-03 -5.7800000000e-04 -1.2870000000e-03  4.1176000000e-03  3.2615000000e-03 -1.7072000000e-03 -1.2528000000e-03 -1.4369000000e-03 -1.9367000000e-03  4.4297000000e-03  3.0336000000e-03 -1.0516000000e-03 -2.0945000000e-03 -1.6851000000e-03  2.8627000000e-03 -2.5883000000e-03
-
-JOB 70
-COORDS -1.2623740000e+00  7.9620900000e-01 -1.9387430000e+00 -2.0028080000e+00  4.5446000000e-01 -2.4399380000e+00 -1.5861470000e+00  8.5130100000e-01 -1.0396510000e+00  1.3570500000e+00 -8.0187600000e-01  1.8760330000e+00  1.6097730000e+00 -4.9503000000e-01  2.7467850000e+00  4.0739900000e-01 -6.8550300000e-01  1.8468330000e+00
-ENERGY -1.526531783326e+02
-FORCES -4.1621000000e-03 -1.1722000000e-03  1.3346000000e-03  3.0620000000e-03  1.4476000000e-03  2.1446000000e-03  1.2841000000e-03 -4.1560000000e-04 -3.2715000000e-03 -2.5900000000e-03  1.7227000000e-03  3.2504000000e-03 -1.1013000000e-03 -1.2844000000e-03 -3.6219000000e-03  3.5073000000e-03 -2.9800000000e-04  1.6380000000e-04
-
-JOB 71
-COORDS -3.0153000000e-01  2.1497390000e+00 -1.1409580000e+00  2.0638500000e-01  2.0730400000e+00 -3.3326300000e-01 -1.0779100000e-01  3.0298430000e+00 -1.4636250000e+00  2.5172500000e-01 -2.1759270000e+00  1.0555720000e+00 -3.4980200000e-01 -2.2016250000e+00  1.7997070000e+00  1.0865050000e+00 -2.4807920000e+00  1.4111430000e+00
-ENERGY -1.526538293608e+02
-FORCES  3.0267000000e-03  2.5573000000e-03  2.1501000000e-03 -2.0990000000e-03  1.1066000000e-03 -3.2881000000e-03 -8.1090000000e-04 -3.5738000000e-03  1.2858000000e-03  6.1700000000e-04 -1.7886000000e-03  4.2729000000e-03  2.6576000000e-03  2.2260000000e-04 -2.9761000000e-03 -3.3913000000e-03  1.4760000000e-03 -1.4444000000e-03
-
-JOB 72
-COORDS -1.8662180000e+00  6.5461700000e-01 -1.5808750000e+00 -1.5257480000e+00 -3.0804000000e-02 -2.1557750000e+00 -2.6764800000e+00  9.4090100000e-01 -2.0024770000e+00  1.8927160000e+00 -6.7219500000e-01  1.6890050000e+00  1.1115660000e+00 -3.0836800000e-01  1.2722730000e+00  2.6216360000e+00 -3.3526100000e-01  1.1680610000e+00
-ENERGY -1.526550829755e+02
-FORCES -2.6234000000e-03 -1.4904000000e-03 -4.3211000000e-03 -1.0998000000e-03  2.9079000000e-03  2.5782000000e-03  3.3804000000e-03 -1.2400000000e-03  1.5924000000e-03 -7.1080000000e-04  3.2604000000e-03 -3.7715000000e-03  3.8053000000e-03 -1.9222000000e-03  1.8783000000e-03 -2.7517000000e-03 -1.5158000000e-03  2.0437000000e-03
-
-JOB 73
-COORDS -1.4194650000e+00 -1.7418720000e+00 -1.2916980000e+00 -9.0309900000e-01 -1.4493240000e+00 -2.0427060000e+00 -1.8197180000e+00 -2.5620090000e+00 -1.5804960000e+00  1.4032830000e+00  1.8165170000e+00  1.3958160000e+00  1.9252390000e+00  1.8711890000e+00  5.9531300000e-01  1.0148840000e+00  9.4204400000e-01  1.3698060000e+00
-ENERGY -1.526546229622e+02
-FORCES -1.6490000000e-04 -2.4299000000e-03 -4.5038000000e-03 -1.7773000000e-03 -1.0943000000e-03  3.3472000000e-03  1.7308000000e-03  3.4040000000e-03  1.1157000000e-03  2.6700000000e-05 -3.6580000000e-03 -3.3055000000e-03 -1.9623000000e-03 -1.2770000000e-04  3.0985000000e-03  2.1470000000e-03  3.9060000000e-03  2.4790000000e-04
-
-JOB 74
-COORDS -2.1971390000e+00 -1.1805560000e+00 -1.0302330000e+00 -1.9701060000e+00 -9.4145600000e-01 -1.3161200000e-01 -3.0699340000e+00 -1.5676650000e+00 -9.6235600000e-01  2.2642310000e+00  1.2138730000e+00  9.2166400000e-01  2.1518490000e+00  1.5869410000e+00  1.7959760000e+00  1.8179910000e+00  3.6803900000e-01  9.6248300000e-01
-ENERGY -1.526536019066e+02
-FORCES -2.9891000000e-03 -4.4460000000e-04  3.6807000000e-03 -4.9800000000e-04 -1.1399000000e-03 -3.4584000000e-03  3.6478000000e-03  1.5939000000e-03 -2.3720000000e-04 -1.9964000000e-03 -1.9668000000e-03  3.4329000000e-03  3.0390000000e-04 -1.5960000000e-03 -3.5903000000e-03  1.5319000000e-03  3.5534000000e-03  1.7220000000e-04
-
-JOB 75
-COORDS  2.6006790000e+00 -4.6331000000e-01  7.8992600000e-01  3.3604530000e+00 -6.0426900000e-01  1.3548210000e+00  2.4798100000e+00 -1.2981470000e+00  3.3752300000e-01 -2.6629060000e+00  5.5024500000e-01 -8.5338800000e-01 -2.3265830000e+00  1.0000920000e+00 -7.8303000000e-02 -2.6366810000e+00 -3.7826000000e-01 -6.2225200000e-01
-ENERGY -1.526543731847e+02
-FORCES  2.9846000000e-03 -3.9032000000e-03  2.1280000000e-04 -3.1803000000e-03  5.4780000000e-04 -2.2849000000e-03  3.0400000000e-04  3.3578000000e-03  2.0424000000e-03  1.9798000000e-03 -1.7451000000e-03  4.2582000000e-03 -1.8291000000e-03 -1.8248000000e-03 -3.1698000000e-03 -2.5910000000e-04  3.5677000000e-03 -1.0587000000e-03
-
-JOB 76
-COORDS -2.7904180000e+00 -3.3932600000e-01  1.8273600000e-01 -3.0434900000e+00  3.8203400000e-01  7.5878000000e-01 -3.4952220000e+00 -9.8013700000e-01  2.7678000000e-01  2.8786080000e+00  3.5838900000e-01 -2.5689500000e-01  2.0884390000e+00 -1.4452200000e-01 -4.5424100000e-01  2.8828550000e+00  4.3405400000e-01  6.9730100000e-01
-ENERGY -1.526547687826e+02
-FORCES -4.3511000000e-03  4.2500000000e-04  2.5588000000e-03  1.1742000000e-03 -3.0514000000e-03 -2.2670000000e-03  2.9429000000e-03  2.6362000000e-03 -3.1810000000e-04 -3.6914000000e-03 -1.8270000000e-03  2.9300000000e-03  3.7479000000e-03  2.0305000000e-03  8.2420000000e-04  1.7750000000e-04 -2.1330000000e-04 -3.7279000000e-03
-
-JOB 77
-COORDS -1.7525400000e-01 -1.2086820000e+00  2.6437410000e+00 -1.6906500000e-01 -2.5405800000e-01  2.5738450000e+00  4.9456800000e-01 -1.4057180000e+00  3.2985280000e+00  1.4531100000e-01  1.2182490000e+00 -2.6593660000e+00  6.5178300000e-01  4.2772400000e-01 -2.4728510000e+00 -5.6341900000e-01  9.2023700000e-01 -3.2295610000e+00
-ENERGY -1.526545926683e+02
-FORCES  2.6169000000e-03  3.3171000000e-03  2.4801000000e-03  5.2900000000e-05 -4.0941000000e-03  4.0050000000e-04 -2.6878000000e-03  7.4760000000e-04 -2.7112000000e-03 -9.4890000000e-04 -4.6938000000e-03 -1.5487000000e-03 -1.9382000000e-03  3.4175000000e-03 -8.4910000000e-04  2.9051000000e-03  1.3057000000e-03  2.2283000000e-03
-
-JOB 78
-COORDS  3.1790000000e-02 -1.4003610000e+00  2.6315860000e+00 -8.4147900000e-01 -1.3911570000e+00  3.0234370000e+00  4.2374000000e-02 -2.1877740000e+00  2.0874350000e+00  6.0250000000e-03  1.4913920000e+00 -2.5761100000e+00  6.2519600000e-01  7.6799700000e-01 -2.4783430000e+00 -3.7412800000e-01  1.3660510000e+00 -3.4455960000e+00
-ENERGY -1.526538854903e+02
-FORCES -3.7531000000e-03 -2.9039000000e-03 -6.0640000000e-04  3.6160000000e-03 -1.9580000000e-04 -1.5133000000e-03  9.0000000000e-05  3.1617000000e-03  2.1082000000e-03  1.1749000000e-03 -3.4064000000e-03 -2.8878000000e-03 -2.6119000000e-03  2.8695000000e-03 -6.6520000000e-04  1.4841000000e-03  4.7480000000e-04  3.5644000000e-03
-
-JOB 79
-COORDS -9.5853000000e-02 -1.6456360000e+00  2.5166260000e+00 -6.3602300000e-01 -8.5905900000e-01  2.4408350000e+00  6.4064400000e-01 -1.3788930000e+00  3.0667640000e+00  6.7106000000e-02  1.5193950000e+00 -2.5353940000e+00 -2.5513300000e-01  2.1502370000e+00 -3.1791580000e+00  6.9727800000e-01  2.0128730000e+00 -2.0104240000e+00
-ENERGY -1.526538456634e+02
-FORCES  6.6090000000e-04  4.2945000000e-03  1.5703000000e-03  2.2810000000e-03 -3.1766000000e-03  6.2720000000e-04 -2.9519000000e-03 -1.0483000000e-03 -2.2070000000e-03  1.3831000000e-03  4.4371000000e-03 -6.9460000000e-04  1.3025000000e-03 -2.5697000000e-03  2.7000000000e-03 -2.6756000000e-03 -1.9369000000e-03 -1.9958000000e-03
-
-JOB 80
-COORDS  3.7047200000e-01 -6.7756500000e-01 -2.9461210000e+00 -2.1657200000e-01 -5.1984000000e-02 -3.3706900000e+00  8.6591500000e-01 -1.0683380000e+00 -3.6658880000e+00 -3.2079100000e-01  6.2093900000e-01  3.0478830000e+00 -1.7289600000e-01  1.0791100000e+00  2.2205760000e+00 -1.2098030000e+00  8.6740100000e-01  3.3031180000e+00
-ENERGY -1.526541228219e+02
-FORCES -2.4500000000e-04  6.5310000000e-04 -4.8036000000e-03  2.3676000000e-03 -2.4258000000e-03  1.9033000000e-03 -2.0754000000e-03  1.6676000000e-03  2.9043000000e-03 -2.8929000000e-03  2.5910000000e-03 -2.7379000000e-03 -7.2050000000e-04 -1.5509000000e-03  3.6822000000e-03  3.5662000000e-03 -9.3500000000e-04 -9.4820000000e-04
-
-JOB 81
-COORDS -1.9404950000e+00  1.8996690000e+00  1.7234360000e+00 -2.0221710000e+00  2.2104920000e+00  2.6250740000e+00 -2.4687060000e+00  1.1018830000e+00  1.6958330000e+00  2.0380090000e+00 -1.8651950000e+00 -1.7610950000e+00  1.4343740000e+00 -2.3879740000e+00 -1.2333070000e+00  1.4861900000e+00 -1.4700670000e+00 -2.4360780000e+00
-ENERGY -1.526539679072e+02
-FORCES -2.3881000000e-03 -1.8230000000e-03  3.7382000000e-03  2.6800000000e-04 -1.3035000000e-03 -3.7093000000e-03  2.1869000000e-03  3.1412000000e-03 -3.0700000000e-05 -4.7700000000e-03 -1.5280000000e-04 -4.8230000000e-04  2.4372000000e-03  1.9480000000e-03 -2.1605000000e-03  2.2659000000e-03 -1.8099000000e-03  2.6445000000e-03
-
-JOB 82
-COORDS  1.1344070000e+00  2.5833390000e+00  1.6377520000e+00  2.0699860000e+00  2.6637240000e+00  1.8233930000e+00  8.2237100000e-01  3.4865200000e+00  1.5818140000e+00 -1.2039130000e+00 -2.6353410000e+00 -1.6988860000e+00 -5.1221700000e-01 -3.2590190000e+00 -1.4779450000e+00 -1.2880520000e+00 -2.0845960000e+00 -9.2053300000e-01
-ENERGY -1.526544717523e+02
-FORCES  2.5693000000e-03  4.2092000000e-03  4.6220000000e-04 -3.8242000000e-03 -3.9380000000e-04 -7.2980000000e-04  1.2915000000e-03 -3.7077000000e-03  2.7810000000e-04  2.5879000000e-03  4.0600000000e-05  4.2222000000e-03 -2.8037000000e-03  2.3779000000e-03 -9.6780000000e-04  1.7910000000e-04 -2.5262000000e-03 -3.2649000000e-03
-
-JOB 83
-COORDS -1.4027070000e+00 -2.6903780000e+00 -1.4618310000e+00 -1.9067880000e+00 -3.4888510000e+00 -1.3050670000e+00 -1.4601490000e+00 -2.5520300000e+00 -2.4072370000e+00  1.4871510000e+00  2.7199030000e+00  1.5377130000e+00  1.4027720000e+00  2.9971260000e+00  6.2543000000e-01  5.9123800000e-01  2.5262800000e+00  1.8135440000e+00
-ENERGY -1.526541803175e+02
-FORCES -2.1784000000e-03 -2.9013000000e-03 -3.2067000000e-03  2.0160000000e-03  3.3072000000e-03 -6.5640000000e-04  1.9610000000e-04 -4.5620000000e-04  3.8734000000e-03 -4.1041000000e-03 -8.6200000000e-05 -2.7077000000e-03  4.1150000000e-04 -9.1330000000e-04  3.6986000000e-03  3.6590000000e-03  1.0498000000e-03 -1.0012000000e-03
-
-JOB 84
-COORDS -3.2905280000e+00 -8.5351000000e-02 -1.3925250000e+00 -3.1279570000e+00 -1.0257840000e+00 -1.3191170000e+00 -2.6714530000e+00  2.1395600000e-01 -2.0584020000e+00  3.2391320000e+00  1.3993500000e-01  1.4892420000e+00  3.8172660000e+00  4.4912300000e-01  7.9182200000e-01  2.7812700000e+00 -6.0879100000e-01  1.1071370000e+00
-ENERGY -1.526538114827e+02
-FORCES  3.0717000000e-03 -2.5229000000e-03 -2.3695000000e-03 -5.6130000000e-04  3.8322000000e-03 -3.1860000000e-04 -2.4602000000e-03 -1.3030000000e-03  2.7135000000e-03  4.8830000000e-04 -1.7290000000e-03 -4.2869000000e-03 -2.4032000000e-03 -1.2987000000e-03  2.8042000000e-03  1.8648000000e-03  3.0213000000e-03  1.4572000000e-03
-
-JOB 85
-COORDS  2.5321200000e+00 -1.6732380000e+00  1.8338810000e+00  1.6418080000e+00 -1.9547470000e+00  2.0444290000e+00  3.0038270000e+00 -1.7274370000e+00  2.6650170000e+00 -2.4561250000e+00  1.7010420000e+00 -1.8893310000e+00 -3.0210680000e+00  2.0254130000e+00 -2.5906550000e+00 -3.0352780000e+00  1.1736440000e+00 -1.3391820000e+00
-ENERGY -1.526537929479e+02
-FORCES -1.7773000000e-03 -1.2050000000e-03  4.1430000000e-03  3.6286000000e-03  1.0404000000e-03 -7.8060000000e-04 -1.9112000000e-03  1.8760000000e-04 -3.3819000000e-03 -4.5680000000e-03 -8.2810000000e-04 -6.8390000000e-04  2.2871000000e-03 -1.3200000000e-03  2.8852000000e-03  2.3408000000e-03  2.1251000000e-03 -2.1818000000e-03
-
-JOB 86
-COORDS -2.1916120000e+00 -2.7088710000e+00 -1.0200810000e+00 -2.3803000000e+00 -1.9577230000e+00 -1.5825800000e+00 -2.2561980000e+00 -2.3640030000e+00 -1.2950400000e-01  2.2101060000e+00  2.5828320000e+00  9.6840000000e-01  1.6030060000e+00  3.2885020000e+00  7.4548200000e-01  2.7357420000e+00  2.9362260000e+00  1.6860710000e+00
-ENERGY -1.526541001815e+02
-FORCES -6.9550000000e-04  4.5924000000e-03  1.3971000000e-03  5.9720000000e-04 -3.0849000000e-03  2.2333000000e-03  5.2200000000e-05 -1.4770000000e-03 -3.6231000000e-03 -9.3800000000e-05  4.3679000000e-03  2.0214000000e-03  2.3501000000e-03 -2.9636000000e-03  9.0210000000e-04 -2.2102000000e-03 -1.4347000000e-03 -2.9309000000e-03
-
-JOB 87
-COORDS  1.7780910000e+00  3.3210230000e+00 -2.2959860000e+00  2.1747810000e+00  3.0128240000e+00 -3.1107750000e+00  2.0398080000e+00  4.2396670000e+00 -2.2341150000e+00 -1.8265050000e+00 -3.3343350000e+00  2.2835390000e+00 -2.0517400000e+00 -4.1994210000e+00  2.6257780000e+00 -1.3926060000e+00 -2.8929110000e+00  3.0136810000e+00
-ENERGY -1.526539551426e+02
-FORCES  2.6234000000e-03  2.4088000000e-03 -3.1059000000e-03 -1.5821000000e-03  1.3037000000e-03  3.3261000000e-03 -1.0549000000e-03 -3.7361000000e-03 -2.2780000000e-04  9.1180000000e-04 -1.5956000000e-03  4.3387000000e-03  9.0560000000e-04  3.5022000000e-03 -1.4048000000e-03 -1.8037000000e-03 -1.8830000000e-03 -2.9263000000e-03
-
-JOB 88
-COORDS  3.5515300000e+00  2.8684320000e+00 -1.4830750000e+00  3.2006090000e+00  3.5779790000e+00 -9.4490300000e-01  4.4405410000e+00  3.1490480000e+00 -1.7002050000e+00 -3.5943500000e+00 -2.8990200000e+00  1.5254700000e+00 -3.4741600000e+00 -3.8164890000e+00  1.2804430000e+00 -3.5359550000e+00 -2.4201880000e+00  6.9870400000e-01
-ENERGY -1.526541509421e+02
-FORCES  2.2116000000e-03  4.0470000000e-03  1.3695000000e-03  1.4267000000e-03 -2.8896000000e-03 -2.2298000000e-03 -3.6274000000e-03 -1.1477000000e-03  8.6610000000e-04  8.3700000000e-04 -1.7543000000e-03 -4.4137000000e-03 -5.3190000000e-04  3.7123000000e-03  1.0190000000e-03 -3.1610000000e-04 -1.9677000000e-03  3.3890000000e-03
-
-JOB 89
-COORDS -2.6578510000e+00 -6.1189600000e-01 -4.1791080000e+00 -2.1315670000e+00  7.1902000000e-02 -4.5934480000e+00 -3.1059430000e+00 -1.0436810000e+00 -4.9064370000e+00  2.6064390000e+00  5.5773500000e-01  4.2627950000e+00  2.5271540000e+00  1.4465840000e+00  3.9165390000e+00  3.5491760000e+00  3.9439800000e-01  4.2910680000e+00
-ENERGY -1.526539782957e+02
-FORCES  3.1360000000e-04  9.9440000000e-04 -4.6274000000e-03 -2.1399000000e-03 -2.7718000000e-03  1.6847000000e-03  1.8319000000e-03  1.7738000000e-03  2.9582000000e-03  3.4605000000e-03  2.9330000000e-03 -1.3618000000e-03  3.6260000000e-04 -3.6040000000e-03  1.4435000000e-03 -3.8288000000e-03  6.7460000000e-04 -9.7300000000e-05
-
-JOB 0
-COORDS -1.7087100000e-01 -1.1513360000e+00  4.3649000000e-01 -6.8956900000e-01 -9.7101400000e-01  1.2204980000e+00  4.5111600000e-01 -1.8255210000e+00  7.1005700000e-01  9.4126000000e-02  1.2116770000e+00 -4.9832900000e-01  8.9872600000e-01  1.6895220000e+00 -6.9961200000e-01  3.8767900000e-01  3.2515600000e-01 -2.8823300000e-01
-ENERGY -1.526574195364e+02
-FORCES -1.9759000000e-03  1.0410200000e-02  6.3310000000e-04  3.5000000000e-03 -3.1314000000e-03 -3.3365000000e-03 -2.2236000000e-03  5.1321000000e-03 -1.3193000000e-03 -1.2407000000e-03 -1.6224500000e-02  5.3790000000e-03 -1.3406000000e-03 -4.7220000000e-03  1.6866000000e-03  3.2809000000e-03  8.5357000000e-03 -3.0429000000e-03
-
-JOB 1
-COORDS  7.2037000000e-01 -7.1490700000e-01  7.6272900000e-01  1.5916760000e+00 -7.6331800000e-01  3.6939000000e-01  4.2168000000e-01 -1.6236680000e+00  7.9694800000e-01 -8.1107600000e-01  7.9659500000e-01 -7.3749600000e-01 -2.6420100000e-01  4.4042600000e-01 -3.7279000000e-02 -3.0840300000e-01  6.4130100000e-01 -1.5371430000e+00
-ENERGY -1.526569499185e+02
-FORCES -6.5940000000e-03  2.1197000000e-03 -8.2474000000e-03 -5.4691000000e-03  5.8800000000e-05  5.7560000000e-04  3.3481000000e-03  4.1601000000e-03 -4.6110000000e-04  1.3003400000e-02 -1.2358800000e-02  9.9625000000e-03 -3.6824000000e-03  5.9441000000e-03 -3.7794000000e-03 -6.0590000000e-04  7.6200000000e-05  1.9498000000e-03
-
-JOB 2
-COORDS  6.3685500000e-01 -1.1995590000e+00 -1.4802600000e-01  4.4716800000e-01 -1.4343460000e+00 -1.0563900000e+00  4.1380000000e-03 -5.1185000000e-01  5.9237000000e-02 -6.3900100000e-01  1.1279490000e+00  1.6483600000e-01 -2.6517100000e-01  1.1930890000e+00  1.0436080000e+00 -2.0699300000e-01  1.8228570000e+00 -3.3185600000e-01
-ENERGY -1.526575905302e+02
-FORCES -1.0438200000e-02  1.4345600000e-02 -2.2416000000e-03  7.9750000000e-04  1.2158000000e-03  2.1209000000e-03  4.5186000000e-03 -6.5311000000e-03  5.4924000000e-03  9.0752000000e-03 -2.6870000000e-03 -2.3069000000e-03 -1.2812000000e-03 -3.8474000000e-03 -6.2410000000e-03 -2.6720000000e-03 -2.4959000000e-03  3.1762000000e-03
-
-JOB 3
-COORDS  5.7139500000e-01 -5.0197900000e-01  1.0647140000e+00  1.5168800000e+00 -3.6228000000e-01  1.0120410000e+00  3.1829700000e-01 -1.1701500000e-01  1.9037460000e+00 -6.5337200000e-01  4.5283800000e-01 -1.1527650000e+00 -2.2890400000e-01  1.3090510000e+00 -1.0983840000e+00 -2.6797800000e-01 -5.1998000000e-02 -4.3663500000e-01
-ENERGY -1.526592155177e+02
-FORCES -1.7227000000e-03  4.5413000000e-03 -2.2969000000e-03 -5.3869000000e-03  6.2930000000e-04  4.2500000000e-04  2.8774000000e-03 -1.5034000000e-03 -4.1147000000e-03  8.2080000000e-03 -3.6438000000e-03  1.4145300000e-02 -7.4940000000e-04 -1.9150000000e-03 -1.6320000000e-04 -3.2264000000e-03  1.8917000000e-03 -7.9954000000e-03
-
-JOB 4
-COORDS  2.1306800000e-01 -1.1225710000e+00  6.5981400000e-01 -5.6387000000e-01 -1.4833360000e+00  2.3267500000e-01  5.1762500000e-01 -1.8237460000e+00  1.2358610000e+00 -1.7856200000e-01  1.2102020000e+00 -7.2112300000e-01  2.3215500000e-01  3.9929000000e-01 -4.2118300000e-01 -8.0311500000e-01  1.4325400000e+00 -3.0666000000e-02
-ENERGY -1.526589609187e+02
-FORCES -4.6030000000e-04  2.2650000000e-04 -1.0341000000e-03  4.7647000000e-03  2.9347000000e-03  2.1951000000e-03 -3.3853000000e-03  2.5586000000e-03 -2.7257000000e-03  2.7839000000e-03 -7.9163000000e-03  9.9977000000e-03 -4.1102000000e-03  2.4787000000e-03 -5.5875000000e-03  4.0720000000e-04 -2.8220000000e-04 -2.8455000000e-03
-
-JOB 5
-COORDS -1.5174700000e-01  8.7495700000e-01  1.0624620000e+00  6.6693700000e-01  1.3686910000e+00  1.1095410000e+00 -7.8649100000e-01  1.4175830000e+00  1.5303170000e+00  1.4380400000e-01 -9.3826300000e-01 -1.1507710000e+00 -3.7856700000e-01 -2.4185400000e-01 -7.5280700000e-01  6.3209300000e-01 -1.3189980000e+00 -4.2080800000e-01
-ENERGY -1.526596751809e+02
-FORCES  2.1692000000e-03  3.1981000000e-03  1.2319000000e-03 -4.2201000000e-03 -2.3997000000e-03  5.6210000000e-04  3.2385000000e-03 -2.2846000000e-03 -2.7389000000e-03 -1.3750000000e-03  5.2405000000e-03  1.0791100000e-02 -2.0740000000e-04 -3.4051000000e-03 -6.4121000000e-03  3.9480000000e-04 -3.4910000000e-04 -3.4342000000e-03
-
-JOB 6
-COORDS  2.1065500000e-01  1.4007290000e+00  5.3336500000e-01  9.2823000000e-02  6.5516300000e-01 -5.5259000000e-02 -3.2980100000e-01  1.1925690000e+00  1.2954740000e+00 -1.8109800000e-01 -1.2700850000e+00 -5.1874300000e-01 -1.1961600000e-01 -2.0674690000e+00  7.2140000000e-03 -6.3688000000e-02 -1.5679520000e+00 -1.4208090000e+00
-ENERGY -1.526602695980e+02
-FORCES -3.4814000000e-03 -1.0689200000e-02 -1.6093000000e-03  1.1963000000e-03  8.4856000000e-03  6.5720000000e-04  1.8425000000e-03  1.1777000000e-03 -1.2865000000e-03  1.5612000000e-03 -3.0404000000e-03  1.0316000000e-03 -8.1930000000e-04  2.7878000000e-03 -3.3981000000e-03 -2.9940000000e-04  1.2785000000e-03  4.6051000000e-03
-
-JOB 7
-COORDS  3.1743500000e-01  1.2674380000e+00  7.0864500000e-01  1.5258400000e-01  8.6574200000e-01  1.5616960000e+00 -4.1180400000e-01  9.7617600000e-01  1.6127900000e-01 -2.9093000000e-01 -1.2570520000e+00 -7.8145500000e-01  5.8329100000e-01 -1.2931310000e+00 -3.9329400000e-01 -8.1762500000e-01 -7.7700200000e-01 -1.4241200000e-01
-ENERGY -1.526502514515e+02
-FORCES -3.6080000000e-03 -2.4104000000e-03 -1.1809000000e-03  6.2140000000e-04 -1.7470000000e-04 -5.3735000000e-03  7.0650000000e-04 -4.1580000000e-03  4.3760000000e-03  5.5851000000e-03  3.7730000000e-03  6.0821000000e-03 -4.2771000000e-03 -2.1333000000e-03 -1.9409000000e-03  9.7210000000e-04  5.1034000000e-03 -1.9629000000e-03
-
-JOB 8
-COORDS -5.8620400000e-01  4.3895000000e-02 -1.4039150000e+00 -6.0640100000e-01  5.4792000000e-02 -4.4699000000e-01  2.9019200000e-01  3.5612200000e-01 -1.6290290000e+00  5.7582900000e-01 -4.7301000000e-02  1.3224030000e+00  1.3537000000e-01  4.8513600000e-01  1.9847760000e+00  2.0448000000e-01 -9.2266000000e-01  1.4323010000e+00
-ENERGY -1.526589398781e+02
-FORCES  7.8289000000e-03  2.3860000000e-03  8.5170000000e-03 -5.8709000000e-03 -2.4087000000e-03 -4.7624000000e-03 -3.1212000000e-03 -9.2450000000e-04 -1.5780000000e-03 -1.2920000000e-04 -2.1697000000e-03  4.6861000000e-03  1.1784000000e-03 -2.8997000000e-03 -4.5710000000e-03  1.1400000000e-04  6.0166000000e-03 -2.2918000000e-03
-
-JOB 9
-COORDS -1.1010320000e+00  5.5834600000e-01  6.9273800000e-01 -1.8464430000e+00  7.8606300000e-01  1.2483810000e+00 -1.1145870000e+00  1.2117320000e+00 -6.6440000000e-03  1.1460370000e+00 -6.0269800000e-01 -7.4761400000e-01  4.0245400000e-01 -4.8440300000e-01 -1.5658000000e-01  1.8646800000e+00 -8.7600500000e-01 -1.7745000000e-01
-ENERGY -1.526610975188e+02
-FORCES -2.7382000000e-03  2.8941000000e-03 -2.3870000000e-04  3.0173000000e-03  6.3790000000e-04 -3.0114000000e-03 -4.3490000000e-04 -3.9692000000e-03  3.9828000000e-03 -3.6920000000e-03  4.6070000000e-04  7.3280000000e-03  6.2164000000e-03 -7.2560000000e-04 -6.3798000000e-03 -2.3686000000e-03  7.0210000000e-04 -1.6809000000e-03
-
-JOB 10
-COORDS  8.0761400000e-01  1.6845900000e-01 -1.2410430000e+00  4.6541800000e-01  7.0880400000e-01 -5.2889000000e-01  7.7326400000e-01  7.3622700000e-01 -2.0109070000e+00 -7.9676000000e-01 -1.8585400000e-01  1.2021120000e+00 -1.3967470000e+00 -5.5794100000e-01  1.8484860000e+00  1.8818000000e-02 -6.7186800000e-01  1.3239940000e+00
-ENERGY -1.526575925251e+02
-FORCES -4.7942000000e-03  4.0274000000e-03  1.3015000000e-03  5.8436000000e-03 -2.0536000000e-03 -3.5908000000e-03 -3.2220000000e-04 -1.8989000000e-03  2.9138000000e-03  1.9050000000e-04 -5.0822000000e-03  1.7579000000e-03  2.7204000000e-03  6.9590000000e-04 -2.6563000000e-03 -3.6380000000e-03  4.3114000000e-03  2.7380000000e-04
-
-JOB 11
-COORDS  7.4066100000e-01 -1.3080140000e+00  1.7146000000e-02  9.0972400000e-01 -3.9115700000e-01 -1.9970000000e-01  1.5331280000e+00 -1.5977990000e+00  4.6908900000e-01 -8.0962500000e-01  1.2539450000e+00 -9.2047000000e-02 -7.9479700000e-01  2.1595330000e+00  2.1766500000e-01 -5.5615600000e-01  7.3505600000e-01  6.7132700000e-01
-ENERGY -1.526572991411e+02
-FORCES  3.7737000000e-03  2.3586000000e-03 -2.8892000000e-03 -6.5710000000e-04 -5.2421000000e-03  5.8460000000e-03 -3.6074000000e-03  2.1484000000e-03 -1.5899000000e-03 -2.4134000000e-03  5.2520000000e-04  4.9159000000e-03  4.1810000000e-04 -4.4426000000e-03 -9.6500000000e-04  2.4860000000e-03  4.6525000000e-03 -5.3178000000e-03
-
-JOB 12
-COORDS  3.7805800000e-01 -9.0875500000e-01  1.1196910000e+00  4.9157000000e-01 -1.7937890000e+00  7.7319000000e-01 -3.3448400000e-01 -9.8885100000e-01  1.7538050000e+00 -3.6486000000e-01  1.0279360000e+00 -1.1371380000e+00 -1.0898000000e-02  5.4280200000e-01 -1.8825150000e+00 -3.2183900000e-01  4.1070500000e-01 -4.0679100000e-01
-ENERGY -1.526600630161e+02
-FORCES -3.8920000000e-04 -5.4217000000e-03  3.6871000000e-03 -1.0970000000e-03  4.7742000000e-03  1.0791000000e-03  3.2016000000e-03  6.1690000000e-04 -4.2854000000e-03  4.0366000000e-03 -6.8250000000e-03  4.4628000000e-03 -1.2934000000e-03  1.2757000000e-03  2.1514000000e-03 -4.4587000000e-03  5.5799000000e-03 -7.0950000000e-03
-
-JOB 13
-COORDS  4.5425800000e-01  1.0260970000e+00  1.1188570000e+00 -1.9623400000e-01  1.0639120000e+00  4.1767100000e-01  1.2912970000e+00  9.2934000000e-01  6.6472700000e-01 -4.1532900000e-01 -1.0750540000e+00 -1.0393560000e+00 -1.1812380000e+00 -8.0111700000e-01 -5.3480300000e-01 -4.0277200000e-01 -4.8725500000e-01 -1.7947140000e+00
-ENERGY -1.526527877529e+02
-FORCES  2.0897000000e-03 -4.6644000000e-03 -7.5226000000e-03 -8.8910000000e-04  8.6300000000e-04  2.4598000000e-03 -2.4048000000e-03  2.4135000000e-03  2.5689000000e-03 -3.6087000000e-03  1.1807000000e-03  2.2300000000e-04  4.0316000000e-03  1.3145000000e-03 -2.7629000000e-03  7.8120000000e-04 -1.1072000000e-03  5.0339000000e-03
-
-JOB 14
-COORDS -7.9535000000e-01  1.2540290000e+00 -5.4857500000e-01 -4.3371000000e-02  1.6469870000e+00 -1.0546800000e-01 -1.2088690000e+00  7.0737300000e-01  1.1955700000e-01  8.2024200000e-01 -1.2744210000e+00  4.3941700000e-01  3.6494900000e-01 -1.7190420000e+00  1.1544360000e+00  5.9866800000e-01 -3.5003400000e-01  5.5186900000e-01
-ENERGY -1.526508416875e+02
-FORCES -2.7130000000e-04 -2.9210000000e-04  2.6187000000e-03 -2.7356000000e-03 -5.4448000000e-03 -9.6340000000e-04  4.7344000000e-03  1.9294000000e-03 -1.6551000000e-03 -2.8502000000e-03  2.6109000000e-03  9.3130000000e-04  1.0291000000e-03  2.8394000000e-03 -3.5208000000e-03  9.3600000000e-05 -1.6428000000e-03  2.5893000000e-03
-
-JOB 15
-COORDS  7.4054300000e-01 -1.0042980000e+00 -8.7766900000e-01  6.8724900000e-01 -1.5540260000e+00 -9.5882000000e-02  4.1330400000e-01 -1.5603050000e+00 -1.5847770000e+00 -7.5511000000e-01  1.0320310000e+00  8.9161100000e-01 -7.0819900000e-01  1.9586410000e+00  1.1270330000e+00 -7.3857000000e-02  9.1799200000e-01  2.2894900000e-01
-ENERGY -1.526598596468e+02
-FORCES -2.7692000000e-03 -5.9007000000e-03  3.7300000000e-05  9.1920000000e-04  2.3830000000e-03 -4.1681000000e-03  1.7982000000e-03  1.5679000000e-03  3.1167000000e-03  3.5178000000e-03  1.1185000000e-03 -3.9959000000e-03  2.3440000000e-04 -3.5150000000e-03 -1.4944000000e-03 -3.7003000000e-03  4.3463000000e-03  6.5043000000e-03
-
-JOB 16
-COORDS  2.5079400000e-01  7.0455900000e-01 -1.3130170000e+00  6.1500000000e-02  8.5821500000e-01 -2.2386460000e+00  1.0969310000e+00  2.5702900000e-01 -1.3121730000e+00 -2.5146800000e-01 -7.1783000000e-01  1.4057170000e+00 -1.2083550000e+00 -7.3955400000e-01  1.3943850000e+00 -1.8118000000e-02 -7.3429000000e-02  7.3749000000e-01
-ENERGY -1.526591700140e+02
-FORCES  1.5160000000e-03 -1.1483000000e-03 -5.6792000000e-03  1.7303000000e-03 -8.9850000000e-04  3.5048000000e-03 -4.7280000000e-03  2.4340000000e-03  1.4706000000e-03 -4.0310000000e-03  4.3814000000e-03 -6.1725000000e-03  2.9013000000e-03 -4.8970000000e-04  9.9740000000e-04  2.6114000000e-03 -4.2789000000e-03  5.8789000000e-03
-
-JOB 17
-COORDS -6.9993000000e-02  1.2981200000e+00 -8.0316700000e-01 -5.6264500000e-01  1.9663660000e+00 -1.2795840000e+00  6.9030400000e-01  1.1201690000e+00 -1.3568030000e+00  2.3646000000e-02 -1.3397530000e+00  8.1110900000e-01  6.1549200000e-01 -1.9015150000e+00  1.3114820000e+00  3.4404000000e-02 -5.0398800000e-01  1.2775990000e+00
-ENERGY -1.526555951199e+02
-FORCES  1.2390000000e-03  6.7000000000e-05 -5.3476000000e-03  2.0602000000e-03 -2.9714000000e-03  1.9724000000e-03 -2.8490000000e-03  2.2791000000e-03  2.1170000000e-03  8.5960000000e-04  3.8690000000e-03  3.1641000000e-03 -1.9739000000e-03  2.6060000000e-03 -2.6550000000e-03  6.6410000000e-04 -5.8498000000e-03  7.4910000000e-04
-
-JOB 18
-COORDS -1.5809330000e+00  5.1805700000e-01 -1.5427500000e-01 -1.3800660000e+00 -1.4622100000e-01  5.0498200000e-01 -8.9822500000e-01  4.1271300000e-01 -8.1688000000e-01  1.4797070000e+00 -4.8451000000e-01  1.9558600000e-01  1.5556910000e+00 -7.1281600000e-01 -7.3087700000e-01  2.2558240000e+00  4.5711000000e-02  3.7652800000e-01
-ENERGY -1.526562036487e+02
-FORCES  7.7519000000e-03 -3.6976000000e-03  2.1044000000e-03 -3.8778000000e-03  2.1474000000e-03 -2.3073000000e-03 -3.6410000000e-03  4.9810000000e-04 -7.6610000000e-04  5.2573000000e-03  1.7865000000e-03 -1.6818000000e-03 -2.3202000000e-03  1.9741000000e-03  3.8384000000e-03 -3.1702000000e-03 -2.7084000000e-03 -1.1876000000e-03
-
-JOB 19
-COORDS -5.0319500000e-01 -8.3018300000e-01  1.2964180000e+00 -7.1679900000e-01 -4.1095200000e-01  4.6284100000e-01 -1.0670990000e+00 -1.6030080000e+00  1.3278200000e+00  4.9710800000e-01  8.4609700000e-01 -1.2991800000e+00  6.4152300000e-01  1.4860190000e+00 -6.0213300000e-01  1.1997180000e+00  2.0587400000e-01 -1.1865480000e+00
-ENERGY -1.526595110122e+02
-FORCES -3.4789000000e-03 -4.5580000000e-04 -4.5987000000e-03  3.4290000000e-04 -3.2022000000e-03  7.2015000000e-03  2.2422000000e-03  2.9337000000e-03 -6.1020000000e-04  6.7688000000e-03  1.4120000000e-03  2.1000000000e-03 -1.8902000000e-03 -3.5477000000e-03 -3.1550000000e-03 -3.9848000000e-03  2.8600000000e-03 -9.3750000000e-04
-
-JOB 20
-COORDS -1.9284300000e-01 -1.5482540000e+00 -5.7075900000e-01 -9.5160000000e-03 -7.8309600000e-01 -2.5638000000e-02 -8.1366700000e-01 -1.2320950000e+00 -1.2271520000e+00  1.6216400000e-01  1.4459790000e+00  5.6827300000e-01  2.7642700000e-01  2.3963270000e+00  5.7223900000e-01  1.0301040000e+00  1.0990460000e+00  7.7454900000e-01
-ENERGY -1.526576387706e+02
-FORCES -3.4585000000e-03  7.5419000000e-03 -2.5950000000e-04  3.3071000000e-03 -5.6509000000e-03 -6.6320000000e-04  1.9891000000e-03 -2.5463000000e-03  1.4875000000e-03  3.7252000000e-03  5.4064000000e-03  9.2340000000e-04  8.5600000000e-05 -4.0392000000e-03  2.9690000000e-04 -5.6486000000e-03 -7.1190000000e-04 -1.7851000000e-03
-
-JOB 21
-COORDS  3.6414500000e-01 -1.5864090000e+00  3.6781300000e-01  1.0121710000e+00 -1.4398380000e+00  1.0568790000e+00 -1.3346100000e-01 -7.6965400000e-01  3.2867800000e-01 -3.1457300000e-01  1.5144340000e+00 -4.1754000000e-01 -1.0377960000e+00  1.5185920000e+00 -1.0445670000e+00 -7.1094400000e-01  1.7934560000e+00  4.0785000000e-01
-ENERGY -1.526576767774e+02
-FORCES  1.3593000000e-03  7.4472000000e-03  3.4820000000e-04 -2.5310000000e-03 -8.7120000000e-04 -1.9079000000e-03 -2.0720000000e-04 -7.4485000000e-03  3.2274000000e-03 -4.1490000000e-03  5.0829000000e-03 -1.9221000000e-03  3.2903000000e-03 -4.7890000000e-04  3.7415000000e-03  2.2376000000e-03 -3.7315000000e-03 -3.4871000000e-03
-
-JOB 22
-COORDS -1.8374000000e-01 -1.4645360000e+00 -6.0202000000e-01 -8.7629300000e-01 -2.1061520000e+00 -4.4412500000e-01  5.7009800000e-01 -1.8009530000e+00 -1.1747500000e-01  1.6514700000e-01  1.5699900000e+00  5.2734400000e-01 -2.8538400000e-01  7.2663800000e-01  5.7218800000e-01  8.6906400000e-01  1.5006240000e+00  1.1722630000e+00
-ENERGY -1.526569293878e+02
-FORCES  1.3896000000e-03 -6.3836000000e-03 -3.1720000000e-04  3.2522000000e-03  3.5885000000e-03 -1.7340000000e-04 -4.0750000000e-03  2.3694000000e-03 -1.1002000000e-03  7.2000000000e-06 -6.0722000000e-03  2.8330000000e-04  1.7703000000e-03  6.7485000000e-03  3.7241000000e-03 -2.3444000000e-03 -2.5060000000e-04 -2.4166000000e-03
-
-JOB 23
-COORDS -1.5491210000e+00  2.0039000000e-01  5.8506400000e-01 -7.3165400000e-01  5.1263100000e-01  1.9714200000e-01 -2.1973090000e+00  2.9448000000e-01 -1.1295600000e-01  1.4822290000e+00 -2.2196300000e-01 -5.5231000000e-01  1.9412620000e+00  5.2382400000e-01 -1.6588700000e-01  2.0842060000e+00 -9.5788900000e-01 -4.4154500000e-01
-ENERGY -1.526575538408e+02
-FORCES  3.5792000000e-03 -2.4950000000e-04 -5.6642000000e-03 -6.0951000000e-03  2.8393000000e-03  3.3856000000e-03  2.1424000000e-03 -2.7890000000e-04  2.6154000000e-03  5.6502000000e-03 -3.1798000000e-03  2.0606000000e-03 -3.7732000000e-03 -2.8999000000e-03 -1.4778000000e-03 -1.5035000000e-03  3.7688000000e-03 -9.1960000000e-04
-
-JOB 24
-COORDS  1.5097480000e+00 -5.7349200000e-01  2.9078000000e-02  2.2601230000e+00 -1.0913360000e+00 -2.6248100000e-01  1.3433440000e+00  3.4535000000e-02 -6.9123100000e-01 -1.5369590000e+00  6.2921800000e-01  1.4480000000e-02 -2.2829760000e+00  5.0814000000e-02 -1.4406900000e-01 -8.9637900000e-01  7.7213000000e-02  4.6301000000e-01
-ENERGY -1.526592594769e+02
-FORCES  3.9558000000e-03  2.8850000000e-04 -4.6147000000e-03 -2.9246000000e-03  2.5100000000e-03  5.7340000000e-04  1.2068000000e-03 -3.7048000000e-03  3.9832000000e-03  1.9370000000e-04 -5.5778000000e-03  2.4319000000e-03  2.7086000000e-03  2.2105000000e-03  5.6880000000e-04 -5.1403000000e-03  4.2736000000e-03 -2.9427000000e-03
-
-JOB 25
-COORDS  4.1096700000e-01  1.5340260000e+00 -1.2364600000e-01  6.3414500000e-01  2.3113750000e+00  3.8836200000e-01  4.6492900000e-01  1.8230190000e+00 -1.0345820000e+00 -4.8095000000e-01 -1.5786150000e+00  1.6829900000e-01  1.0446200000e-01 -1.0017420000e+00 -3.2235600000e-01 -1.6194000000e-02 -2.4144590000e+00  2.0827400000e-01
-ENERGY -1.526563453309e+02
-FORCES  3.4010000000e-04  6.2886000000e-03  6.1780000000e-04 -8.6540000000e-04 -2.7352000000e-03 -2.8509000000e-03  1.2450000000e-04 -2.5798000000e-03  3.9044000000e-03  4.6681000000e-03  2.0211000000e-03 -1.1837000000e-03 -2.6401000000e-03 -6.4211000000e-03 -4.0350000000e-04 -1.6273000000e-03  3.4263000000e-03 -8.4200000000e-05
-
-JOB 26
-COORDS  1.3943510000e+00  4.6790000000e-03  1.0295320000e+00  8.7328400000e-01 -7.3306100000e-01  1.3464880000e+00  1.4311550000e+00 -1.1751000000e-01  8.0876000000e-02 -1.3939930000e+00 -6.5660000000e-03 -1.0253110000e+00 -9.3777000000e-01 -2.3300000000e-02 -1.8399500000e-01 -1.4100870000e+00  9.1836500000e-01 -1.2712300000e+00
-ENERGY -1.526563007796e+02
-FORCES  1.8801000000e-03 -5.0937000000e-03 -2.2772000000e-03  3.6220000000e-04  4.8838000000e-03 -2.3316000000e-03 -1.7477000000e-03  1.5616000000e-03  5.3851000000e-03  8.9060000000e-04  5.5038000000e-03  3.3756000000e-03 -1.5130000000e-03 -2.7522000000e-03 -4.5740000000e-03  1.2790000000e-04 -4.1032000000e-03  4.2210000000e-04
-
-JOB 27
-COORDS -6.2343000000e-01 -1.4483870000e+00  4.8482800000e-01 -7.4742800000e-01 -1.1249950000e+00  1.3771690000e+00 -1.3064090000e+00 -2.1094930000e+00  3.7208200000e-01  6.4586100000e-01  1.4998650000e+00 -4.7635100000e-01  5.5268500000e-01  5.6251300000e-01 -6.4641600000e-01  1.1233850000e+00  1.8351380000e+00 -1.2351620000e+00
-ENERGY -1.526588859243e+02
-FORCES -4.4565000000e-03 -1.8729000000e-03  4.1323000000e-03  3.1060000000e-04 -2.2965000000e-03 -3.9227000000e-03  2.7704000000e-03  2.5901000000e-03  9.9000000000e-04  5.2370000000e-04 -4.2362000000e-03 -3.1926000000e-03  2.7321000000e-03  7.2966000000e-03 -6.4040000000e-04 -1.8803000000e-03 -1.4812000000e-03  2.6335000000e-03
-
-JOB 28
-COORDS  1.1274380000e+00 -1.1319040000e+00  6.4577500000e-01  9.3047600000e-01 -5.4552800000e-01 -8.4705000000e-02  2.0439040000e+00 -1.3762970000e+00  5.1695600000e-01 -1.1523820000e+00  1.0757150000e+00 -5.3959300000e-01 -2.0406320000e+00  1.1573540000e+00 -8.8683700000e-01 -6.1316000000e-01  1.5962540000e+00 -1.1350010000e+00
-ENERGY -1.526552801253e+02
-FORCES  5.6660000000e-04  2.3200000000e-03 -3.5269000000e-03  4.6967000000e-03 -3.3218000000e-03  2.3513000000e-03 -3.7715000000e-03  1.2962000000e-03  3.0000000000e-04 -4.3856000000e-03  3.2280000000e-03 -3.2556000000e-03  3.9381000000e-03  3.1810000000e-04  1.3769000000e-03 -1.0443000000e-03 -3.8405000000e-03  2.7543000000e-03
-
-JOB 29
-COORDS -1.2345500000e+00  5.6189000000e-02  1.2512480000e+00 -1.2099760000e+00  9.1886200000e-01  1.6652810000e+00 -3.1644900000e-01 -2.0821600000e-01  1.1928400000e+00  1.1340420000e+00 -6.3493000000e-02 -1.2524880000e+00  1.1901970000e+00 -9.5787900000e-01 -1.5888670000e+00  2.0317050000e+00  2.6599200000e-01 -1.2957810000e+00
-ENERGY -1.526557695801e+02
-FORCES  5.4443000000e-03  2.9543000000e-03 -1.3668000000e-03 -2.9430000000e-04 -3.1878000000e-03 -1.0513000000e-03 -4.7444000000e-03 -4.6500000000e-05  3.6246000000e-03  3.5854000000e-03 -2.3145000000e-03 -4.0885000000e-03  1.5600000000e-04  3.9558000000e-03  2.0579000000e-03 -4.1470000000e-03 -1.3612000000e-03  8.2410000000e-04
-
-JOB 30
-COORDS  1.4962580000e+00 -1.0413690000e+00 -2.3847900000e-01  9.1889100000e-01 -3.0232800000e-01 -4.6912000000e-02  9.0250900000e-01 -1.7764550000e+00 -3.9126400000e-01 -1.3781670000e+00  1.0528370000e+00  2.2190200000e-01 -2.1493300000e+00  9.8329500000e-01 -3.4086200000e-01 -1.7096740000e+00  8.8841400000e-01  1.1046810000e+00
-ENERGY -1.526584955078e+02
-FORCES -6.3662000000e-03  1.8025000000e-03 -8.4100000000e-05  5.6546000000e-03 -4.9173000000e-03 -2.4480000000e-04  2.4895000000e-03  1.9350000000e-03  5.4850000000e-04 -6.6313000000e-03  8.2260000000e-04  1.0960000000e-03  3.1529000000e-03  1.2070000000e-04  2.8942000000e-03  1.7004000000e-03  2.3660000000e-04 -4.2098000000e-03
-
-JOB 31
-COORDS  1.1301450000e+00 -1.3295080000e+00  3.4660200000e-01  1.7704520000e+00 -1.7518500000e+00  9.1919700000e-01  3.1626900000e-01 -1.3365080000e+00  8.5037500000e-01 -1.0959630000e+00  1.3047730000e+00 -3.6557700000e-01 -1.7719460000e+00  1.9594840000e+00 -1.9055600000e-01 -8.1960300000e-01  1.4797260000e+00 -1.2651590000e+00
-ENERGY -1.526551899087e+02
-FORCES -2.0717000000e-03 -3.6700000000e-04  4.4839000000e-03 -2.5078000000e-03  1.7731000000e-03 -2.2749000000e-03  4.3220000000e-03 -2.1283000000e-03 -1.2996000000e-03 -5.0290000000e-04  3.5637000000e-03 -4.0536000000e-03  2.8582000000e-03 -2.8739000000e-03 -4.7380000000e-04 -2.0979000000e-03  3.2400000000e-05  3.6181000000e-03
-
-JOB 32
-COORDS  9.9633200000e-01 -8.0437700000e-01  1.3332430000e+00  1.6113050000e+00 -4.8148200000e-01  1.9918630000e+00  1.1166360000e+00 -2.1929600000e-01  5.8528600000e-01 -9.7796700000e-01  7.2207100000e-01 -1.3283650000e+00 -1.1969650000e+00  1.5712840000e+00 -9.4481700000e-01 -1.7908620000e+00  4.2738100000e-01 -1.7389630000e+00
-ENERGY -1.526559770051e+02
-FORCES  2.0804000000e-03  3.5846000000e-03 -2.1328000000e-03 -2.6396000000e-03 -9.9860000000e-04 -2.5765000000e-03  1.7129000000e-03 -2.3544000000e-03  5.2415000000e-03 -5.8676000000e-03  1.2840000000e-03 -2.6720000000e-04  1.5541000000e-03 -3.3929000000e-03 -1.6203000000e-03  3.1599000000e-03  1.8773000000e-03  1.3552000000e-03
-
-JOB 33
-COORDS -5.0035900000e-01  4.9297600000e-01  1.6629680000e+00 -1.0573990000e+00 -2.8222300000e-01  1.5922120000e+00 -9.5444200000e-01  1.0585900000e+00  2.2875660000e+00  5.7487300000e-01 -4.2014400000e-01 -1.6926650000e+00  6.9344700000e-01 -1.0528700000e+00 -2.4010640000e+00  1.0554100000e-01 -9.0506100000e-01 -1.0138320000e+00
-ENERGY -1.526530247069e+02
-FORCES -4.4225000000e-03  7.0900000000e-04  3.0825000000e-03  3.0807000000e-03  2.5211000000e-03 -1.1659000000e-03  1.9842000000e-03 -2.5500000000e-03 -2.4242000000e-03 -1.2158000000e-03 -3.9484000000e-03  1.0269000000e-03 -5.3400000000e-04  2.7779000000e-03  3.0063000000e-03  1.1073000000e-03  4.9030000000e-04 -3.5257000000e-03
-
-JOB 34
-COORDS -2.3366100000e-01 -1.8327920000e+00  1.0614400000e-01 -1.7862600000e-01 -1.3209520000e+00 -7.0084000000e-01 -7.7763900000e-01 -2.5860100000e+00 -1.2403300000e-01  2.2743000000e-01  1.7874890000e+00 -6.6312000000e-02 -6.6033000000e-02  2.4067610000e+00  6.0197900000e-01  1.0101840000e+00  2.1915920000e+00 -4.4078300000e-01
-ENERGY -1.526549654894e+02
-FORCES -1.8502000000e-03  9.6710000000e-04 -4.3742000000e-03 -1.0760000000e-04 -4.5498000000e-03  2.3895000000e-03  2.0923000000e-03  3.0648000000e-03  1.0651000000e-03  1.8533000000e-03  4.3997000000e-03  2.8502000000e-03  1.3760000000e-03 -1.9448000000e-03 -3.1063000000e-03 -3.3638000000e-03 -1.9370000000e-03  1.1758000000e-03
-
-JOB 35
-COORDS -1.1418490000e+00  5.0855300000e-01  1.3774780000e+00 -3.9493100000e-01  3.2934300000e-01  1.9486430000e+00 -1.3323030000e+00  1.4364080000e+00  1.5154740000e+00  1.1662940000e+00 -5.8402000000e-01 -1.4326470000e+00  9.0790300000e-01  3.1386000000e-01 -1.6406820000e+00  4.4548300000e-01 -9.2454000000e-01 -9.0282800000e-01
-ENERGY -1.526569418847e+02
-FORCES  1.6600000000e-03  3.7751000000e-03  4.4103000000e-03 -3.3803000000e-03  5.9970000000e-04 -2.9174000000e-03  9.6760000000e-04 -3.8937000000e-03 -6.7190000000e-04 -5.6853000000e-03  2.6865000000e-03  1.9231000000e-03  1.9593000000e-03 -3.1292000000e-03  4.5800000000e-05  4.4787000000e-03 -3.8400000000e-05 -2.7899000000e-03
-
-JOB 36
-COORDS  6.8754900000e-01  6.7509700000e-01 -1.6296490000e+00  1.1780400000e+00  1.4548000000e+00 -1.8898690000e+00  2.7117300000e-01  9.1836500000e-01 -8.0279700000e-01 -6.9100600000e-01 -6.9086400000e-01  1.6349410000e+00 -6.0552000000e-01 -6.2402800000e-01  6.8391100000e-01 -7.6627900000e-01 -1.6300560000e+00  1.8037150000e+00
-ENERGY -1.526546072280e+02
-FORCES  1.6605000000e-03  6.0918000000e-03  1.8261000000e-03 -2.0871000000e-03 -3.3074000000e-03  7.3900000000e-04  3.5320000000e-04 -4.0323000000e-03 -3.1887000000e-03  1.2190000000e-04 -5.6709000000e-03 -3.1271000000e-03 -1.0950000000e-04  2.9711000000e-03  3.9907000000e-03  6.1200000000e-05  3.9477000000e-03 -2.3990000000e-04
-
-JOB 37
-COORDS -3.9466400000e-01  1.8534090000e+00 -3.2194000000e-01  5.7125000000e-02  2.0867470000e+00 -1.1329090000e+00  3.0622100000e-01  1.6012420000e+00  2.7922800000e-01  3.7540900000e-01 -1.8423970000e+00  2.8174100000e-01  6.3015000000e-01 -2.3576590000e+00  1.0471450000e+00 -5.0667300000e-01 -1.5310510000e+00  4.8478600000e-01
-ENERGY -1.526561099044e+02
-FORCES  5.6990000000e-03 -6.7260000000e-04 -1.5246000000e-03 -1.9488000000e-03 -3.1400000000e-04  3.2589000000e-03 -3.5579000000e-03  1.9863000000e-03 -1.8590000000e-03 -3.6834000000e-03 -1.3736000000e-03  3.2103000000e-03 -9.0940000000e-04  2.5001000000e-03 -3.0474000000e-03  4.4004000000e-03 -2.1262000000e-03 -3.8200000000e-05
-
-JOB 38
-COORDS  1.0446270000e+00 -1.5390800000e+00  7.2392000000e-02  8.8607300000e-01 -2.4638530000e+00 -1.1704800000e-01  1.9714450000e+00 -1.4978600000e+00  3.0806200000e-01 -1.0568960000e+00  1.5794740000e+00 -2.1332000000e-02 -1.8761540000e+00  1.1633710000e+00 -2.8948600000e-01 -7.7007500000e-01  2.0651890000e+00 -7.9466700000e-01
-ENERGY -1.526527260885e+02
-FORCES  3.4333000000e-03 -3.0341000000e-03  8.3420000000e-04  2.4410000000e-04  4.0284000000e-03  6.2090000000e-04 -3.7566000000e-03 -3.4810000000e-04 -1.2109000000e-03 -1.3528000000e-03 -1.4929000000e-03 -4.5138000000e-03  2.6630000000e-03  2.2417000000e-03  1.1022000000e-03 -1.2310000000e-03 -1.3950000000e-03  3.1675000000e-03
-
-JOB 39
-COORDS -7.9258000000e-02  1.8071180000e+00  6.7321300000e-01  2.2296600000e-01  2.1406750000e+00  1.5179800000e+00 -2.0969900000e-01  8.6996400000e-01  8.1798800000e-01  6.0537000000e-02 -1.7942090000e+00 -6.5175100000e-01  5.9005500000e-01 -1.0893620000e+00 -1.0246220000e+00 -3.2976200000e-01 -2.2282290000e+00 -1.4103850000e+00
-ENERGY -1.526569721078e+02
-FORCES -2.0470000000e-04 -2.7267000000e-03  4.7533000000e-03 -1.2056000000e-03 -1.2704000000e-03 -3.3737000000e-03  1.7668000000e-03  5.5553000000e-03 -1.0039000000e-03  5.5570000000e-04 -1.6400000000e-05 -6.0942000000e-03 -2.8463000000e-03 -3.1464000000e-03  2.6920000000e-03  1.9341000000e-03  1.6045000000e-03  3.0266000000e-03
-
-JOB 40
-COORDS -1.0689520000e+00 -7.6914800000e-01  1.4609060000e+00 -3.0932600000e-01 -8.8103400000e-01  2.0324670000e+00 -7.5306700000e-01 -1.0142170000e+00  5.9120000000e-01  9.9986800000e-01  8.4319900000e-01 -1.4113500000e+00  1.7970310000e+00  3.1375300000e-01 -1.3901520000e+00  4.1723100000e-01  3.7586100000e-01 -2.0099820000e+00
-ENERGY -1.526539496565e+02
-FORCES  5.4128000000e-03  3.3380000000e-04 -1.8503000000e-03 -3.1729000000e-03 -1.8060000000e-04 -1.8852000000e-03 -2.1311000000e-03 -7.9450000000e-04  3.3552000000e-03  1.4108000000e-03 -2.3305000000e-03 -3.6900000000e-03 -3.9249000000e-03  1.7736000000e-03  5.6960000000e-04  2.4053000000e-03  1.1982000000e-03  3.5007000000e-03
-
-JOB 41
-COORDS -2.4726000000e-02  3.4099800000e-01  1.8774240000e+00  9.1935700000e-01  1.8680600000e-01  1.9115380000e+00 -4.0434000000e-01 -3.8347900000e-01  2.3746740000e+00 -2.0764000000e-02 -3.1011600000e-01 -1.9661060000e+00 -6.1379800000e-01 -2.2468400000e-01 -1.2196180000e+00  8.2046200000e-01  1.2047000000e-02 -1.6424070000e+00
-ENERGY -1.526564659327e+02
-FORCES  2.5033000000e-03 -3.4158000000e-03  4.4424000000e-03 -4.1092000000e-03  6.5920000000e-04 -9.7080000000e-04  1.6285000000e-03  3.1586000000e-03 -2.4786000000e-03  4.8430000000e-04  2.6159000000e-03  5.7634000000e-03  1.8417000000e-03 -1.3847000000e-03 -4.9044000000e-03 -2.3486000000e-03 -1.6332000000e-03 -1.8520000000e-03
-
-JOB 42
-COORDS -1.6519380000e+00 -1.1194600000e+00 -3.7203500000e-01 -1.6651910000e+00 -3.1913800000e-01  1.5288500000e-01 -7.3228900000e-01 -1.3847500000e+00 -3.8196200000e-01  1.5919390000e+00  1.1399660000e+00  3.8434600000e-01  1.9860540000e+00  2.9051400000e-01  5.8268200000e-01  1.4016410000e+00  1.1032370000e+00 -5.5302800000e-01
-ENERGY -1.526549495265e+02
-FORCES  3.4773000000e-03  2.6752000000e-03  3.1902000000e-03 -6.4440000000e-04 -3.8404000000e-03 -2.8160000000e-03 -3.1472000000e-03  7.8850000000e-04 -7.0140000000e-04  2.8294000000e-03 -2.2954000000e-03 -3.2598000000e-03 -2.7574000000e-03  3.2039000000e-03 -1.0519000000e-03  2.4220000000e-04 -5.3180000000e-04  4.6389000000e-03
-
-JOB 43
-COORDS -9.0450100000e-01  1.0862290000e+00  1.4159440000e+00 -3.3159000000e-02  1.4313410000e+00  1.6106020000e+00 -1.0689890000e+00  1.3470260000e+00  5.0976500000e-01  8.9200600000e-01 -1.1480930000e+00 -1.4442400000e+00  1.4409470000e+00 -8.6330600000e-01 -7.1362900000e-01  2.0890000000e-03 -9.1276500000e-01 -1.1817490000e+00
-ENERGY -1.526546560563e+02
-FORCES  2.1228000000e-03  4.4260000000e-03 -1.6457000000e-03 -3.5217000000e-03 -2.1941000000e-03 -1.2232000000e-03  1.1594000000e-03 -2.6259000000e-03  3.5373000000e-03 -1.7484000000e-03  8.7460000000e-04  5.1091000000e-03 -1.7177000000e-03 -5.0200000000e-04 -3.4724000000e-03  3.7056000000e-03  2.1300000000e-05 -2.3052000000e-03
-
-JOB 44
-COORDS -1.4442460000e+00  3.3379600000e-01 -1.2555140000e+00 -1.2290800000e+00  9.6331900000e-01 -1.9437270000e+00 -1.5646970000e+00 -4.9555300000e-01 -1.7180100000e+00  1.4401510000e+00 -3.4965900000e-01  1.2659510000e+00  1.3407220000e+00  5.8632900000e-01  1.4399400000e+00  1.5011960000e+00 -7.4983700000e-01  2.1333400000e+00
-ENERGY -1.526536684166e+02
-FORCES  1.3019000000e-03 -1.9436000000e-03 -4.4809000000e-03 -9.0730000000e-04 -2.2021000000e-03  2.9881000000e-03 -2.0860000000e-04  3.5720000000e-03  1.4607000000e-03 -1.5127000000e-03  2.8199000000e-03  3.7750000000e-03  1.4972000000e-03 -3.6430000000e-03 -1.9280000000e-04 -1.7060000000e-04  1.3968000000e-03 -3.5501000000e-03
-
-JOB 45
-COORDS -1.5044720000e+00  1.3238790000e+00 -4.3112100000e-01 -1.8456350000e+00  1.7717000000e+00  3.4302100000e-01 -5.5627600000e-01  1.3084270000e+00 -3.0105000000e-01  1.5128070000e+00 -1.3097680000e+00  3.7622200000e-01  1.4701830000e+00 -2.0593440000e+00  9.6998300000e-01  7.2173900000e-01 -1.3814320000e+00 -1.5791800000e-01
-ENERGY -1.526561495873e+02
-FORCES  2.7228000000e-03  2.8244000000e-03  4.1286000000e-03  1.1612000000e-03 -1.7728000000e-03 -3.2219000000e-03 -4.8201000000e-03 -5.9240000000e-04 -1.2342000000e-03 -3.3832000000e-03 -4.6061000000e-03  2.5370000000e-04  2.7990000000e-04  3.0094000000e-03 -2.4347000000e-03  4.0395000000e-03  1.1375000000e-03  2.5085000000e-03
-
-JOB 46
-COORDS  1.5681600000e+00  5.3342100000e-01  1.1943990000e+00  1.6197380000e+00  1.1253500000e+00  1.9448600000e+00  9.7174300000e-01  9.6916700000e-01  5.8559300000e-01 -1.5270080000e+00 -5.8079800000e-01 -1.2680580000e+00 -1.0364850000e+00 -2.3432400000e-01 -5.2269000000e-01 -2.2130030000e+00 -1.1198250000e+00 -8.7424000000e-01
-ENERGY -1.526537169953e+02
-FORCES -4.5980000000e-04  5.3424000000e-03  9.2900000000e-04 -2.5660000000e-04 -2.7156000000e-03 -3.2891000000e-03  5.5430000000e-04 -3.5132000000e-03  2.7237000000e-03 -8.0040000000e-04 -2.2647000000e-03  5.1096000000e-03 -1.6244000000e-03  7.6790000000e-04 -3.5762000000e-03  2.5870000000e-03  2.3833000000e-03 -1.8970000000e-03
-
-JOB 47
-COORDS  1.2587640000e+00 -1.6064010000e+00 -4.7868100000e-01  6.9081700000e-01 -8.3622000000e-01 -5.0078200000e-01  7.7095800000e-01 -2.2780580000e+00 -9.5528800000e-01 -1.2023110000e+00  1.6320790000e+00  4.4711000000e-01 -1.7270210000e+00  9.3698100000e-01  8.4428700000e-01 -5.6700700000e-01  1.8690380000e+00  1.1227370000e+00
-ENERGY -1.526561678907e+02
-FORCES -4.2649000000e-03  1.1577000000e-03 -2.8086000000e-03  3.0276000000e-03 -4.7844000000e-03  7.4210000000e-04  1.8324000000e-03  2.5233000000e-03  2.1065000000e-03 -7.2710000000e-04  1.1130000000e-04  5.6748000000e-03  2.8293000000e-03  2.4423000000e-03 -2.4056000000e-03 -2.6973000000e-03 -1.4502000000e-03 -3.3092000000e-03
-
-JOB 48
-COORDS -6.6074000000e-02 -7.0606400000e-01  1.9452190000e+00 -2.2001200000e-01 -7.5800200000e-01  2.8885310000e+00 -8.8977100000e-01 -3.7699600000e-01  1.5854000000e+00  1.7054000000e-01  6.7401600000e-01 -1.9484410000e+00 -8.0625000000e-02  3.6055600000e-01 -2.8172860000e+00 -5.1365200000e-01  1.3003720000e+00 -1.7122380000e+00
-ENERGY -1.526530401004e+02
-FORCES -3.8509000000e-03  1.1323000000e-03  1.6710000000e-03  7.3870000000e-04  2.1510000000e-04 -3.9615000000e-03  2.8798000000e-03 -1.1024000000e-03  2.0499000000e-03 -3.2350000000e-03  1.2751000000e-03 -2.8630000000e-03  1.0204000000e-03  1.3529000000e-03  3.6783000000e-03  2.4470000000e-03 -2.8730000000e-03 -5.7460000000e-04
-
-JOB 49
-COORDS  6.7399000000e-01 -1.8238410000e+00 -6.3992800000e-01  1.0195080000e+00 -2.2377610000e+00 -1.4308250000e+00  1.0723010000e+00 -2.3125590000e+00  8.0305000000e-02 -6.8056300000e-01  1.9117690000e+00  6.0438100000e-01 -4.8983800000e-01  1.0055390000e+00  8.4646300000e-01 -1.4697620000e+00  2.1314220000e+00  1.0995070000e+00
-ENERGY -1.526552529763e+02
-FORCES  3.5273000000e-03 -4.0004000000e-03 -1.7161000000e-03 -1.3362000000e-03  1.2556000000e-03  3.5075000000e-03 -1.9949000000e-03  2.4422000000e-03 -2.6296000000e-03 -2.0998000000e-03 -3.9180000000e-03  2.0493000000e-03 -1.2029000000e-03  5.0023000000e-03  6.5060000000e-04  3.1066000000e-03 -7.8180000000e-04 -1.8617000000e-03
-
-JOB 50
-COORDS  7.0161200000e-01 -1.8032480000e+00 -8.9483100000e-01 -1.5116900000e-01 -1.8186600000e+00 -4.6036600000e-01  1.3064160000e+00 -2.1691460000e+00 -2.4941500000e-01 -6.6753300000e-01  1.8246090000e+00  7.8055600000e-01 -1.2260880000e+00  2.4258150000e+00  1.2733030000e+00 -4.7245000000e-01  1.1186560000e+00  1.3968400000e+00
-ENERGY -1.526532340217e+02
-FORCES -1.2189000000e-03 -1.2462000000e-03  3.6334000000e-03  3.8019000000e-03 -2.7630000000e-04 -1.1419000000e-03 -2.6428000000e-03  1.7031000000e-03 -2.3782000000e-03 -1.0125000000e-03 -8.0000000000e-06  4.4440000000e-03  2.3507000000e-03 -2.6030000000e-03 -2.1434000000e-03 -1.2784000000e-03  2.4305000000e-03 -2.4140000000e-03
-
-JOB 51
-COORDS  1.0103000000e+00 -8.5135200000e-01 -1.7297730000e+00  5.8626700000e-01 -4.9728000000e-02 -1.4234620000e+00  1.8225630000e+00 -9.0083800000e-01 -1.2257770000e+00 -9.9142600000e-01  8.4793400000e-01  1.6338250000e+00 -1.5257750000e+00  1.2216510000e+00  2.3345670000e+00 -1.0899330000e+00 -9.8712000000e-02  1.7357530000e+00
-ENERGY -1.526561078863e+02
-FORCES  1.4723000000e-03  4.0083000000e-03  3.3900000000e-03  2.0985000000e-03 -4.1176000000e-03 -2.0792000000e-03 -3.1426000000e-03 -2.5420000000e-04 -2.0620000000e-03 -3.2642000000e-03 -2.1752000000e-03  3.9116000000e-03  2.1872000000e-03 -1.7245000000e-03 -2.7598000000e-03  6.4880000000e-04  4.2633000000e-03 -4.0060000000e-04
-
-JOB 52
-COORDS  1.2661220000e+00  8.2337100000e-01 -1.6040600000e+00  1.9919670000e+00  1.2407350000e+00 -1.1401770000e+00  8.9095200000e-01  2.1635500000e-01 -9.6608500000e-01 -1.3293450000e+00 -8.3701600000e-01  1.5086160000e+00 -5.7627700000e-01 -1.2378080000e+00  1.9427670000e+00 -1.2149920000e+00  1.0292300000e-01  1.6488650000e+00
-ENERGY -1.526545592764e+02
-FORCES  1.0133000000e-03 -1.3983000000e-03  3.9393000000e-03 -3.1403000000e-03 -1.6942000000e-03 -1.5648000000e-03  2.6769000000e-03  3.4055000000e-03 -2.4827000000e-03  1.8518000000e-03  1.9478000000e-03  3.8417000000e-03 -2.7270000000e-03  2.0813000000e-03 -2.6415000000e-03  3.2520000000e-04 -4.3422000000e-03 -1.0919000000e-03
-
-JOB 53
-COORDS -4.3208700000e-01 -1.7796200000e+00  1.1825790000e+00 -5.7661900000e-01 -1.3607170000e+00  2.0310260000e+00  5.1797700000e-01 -1.8800840000e+00  1.1232740000e+00  3.4201500000e-01  1.7664300000e+00 -1.2792840000e+00  3.1202800000e-01  2.0407360000e+00 -3.6272000000e-01  1.2104520000e+00  1.3780820000e+00 -1.3852750000e+00
-ENERGY -1.526531114761e+02
-FORCES  2.8864000000e-03  9.3860000000e-04  2.9872000000e-03  7.9030000000e-04 -1.4555000000e-03 -3.5803000000e-03 -3.7227000000e-03  7.4550000000e-04  2.5940000000e-04  2.7793000000e-03 -1.2564000000e-03  3.4532000000e-03  4.8710000000e-04 -6.8860000000e-04 -3.6200000000e-03 -3.2204000000e-03  1.7163000000e-03  5.0050000000e-04
-
-JOB 54
-COORDS -1.4679350000e+00  6.2541400000e-01  1.5635710000e+00 -7.6033500000e-01  9.9105000000e-01  2.0944610000e+00 -1.1720930000e+00  7.3651200000e-01  6.6004100000e-01  1.4035820000e+00 -6.6753100000e-01 -1.4838410000e+00  1.7195000000e+00 -1.2375540000e+00 -2.1849120000e+00  1.2997750000e+00  1.8864000000e-01 -1.8990860000e+00
-ENERGY -1.526545760295e+02
-FORCES  4.9388000000e-03  7.7640000000e-04 -1.8982000000e-03 -3.1148000000e-03 -1.0039000000e-03 -1.8898000000e-03 -1.9493000000e-03  8.2540000000e-04  3.7006000000e-03  1.5360000000e-03  8.2600000000e-05 -5.2062000000e-03 -1.1909000000e-03  2.5888000000e-03  2.8420000000e-03 -2.1970000000e-04 -3.2694000000e-03  2.4515000000e-03
-
-JOB 55
-COORDS -1.8626100000e+00 -1.0737910000e+00 -5.5822800000e-01 -1.5510530000e+00 -1.9508640000e+00 -3.3483200000e-01 -1.5432340000e+00 -9.2512200000e-01 -1.4482440000e+00  1.8352620000e+00  1.0868960000e+00  5.3439300000e-01  1.6940040000e+00  2.0318050000e+00  5.9292400000e-01  1.8191050000e+00  7.8511200000e-01  1.4426310000e+00
-ENERGY -1.526543256434e+02
-FORCES  3.6986000000e-03 -2.4523000000e-03 -2.8234000000e-03 -1.5758000000e-03  3.2794000000e-03 -7.1790000000e-04 -2.0105000000e-03 -9.0210000000e-04  3.2787000000e-03 -1.6009000000e-03  2.6107000000e-03  4.1831000000e-03  9.0340000000e-04 -3.7130000000e-03 -3.1940000000e-04  5.8520000000e-04  1.1773000000e-03 -3.6012000000e-03
-
-JOB 56
-COORDS -7.8563900000e-01  1.7491010000e+00  1.2181600000e+00 -3.8323800000e-01  8.8062300000e-01  1.2110300000e+00 -2.2088800000e-01  2.2705950000e+00  1.7885400000e+00  6.5579900000e-01 -1.7169960000e+00 -1.2516910000e+00  1.0839520000e+00 -2.5673850000e+00 -1.3504650000e+00  1.3771600000e+00 -1.0908670000e+00 -1.1897830000e+00
-ENERGY -1.526545202332e+02
-FORCES  3.3018000000e-03 -2.0817000000e-03  2.1691000000e-03 -1.0389000000e-03  4.5559000000e-03  5.1200000000e-04 -2.1107000000e-03 -2.1301000000e-03 -2.4505000000e-03  4.7334000000e-03 -1.3882000000e-03 -1.3423000000e-03 -1.7254000000e-03  3.6481000000e-03  4.6820000000e-04 -3.1602000000e-03 -2.6041000000e-03  6.4360000000e-04
-
-JOB 57
-COORDS -7.6243600000e-01 -1.3439950000e+00 -1.8071880000e+00 -8.3510000000e-03 -1.0183290000e+00 -2.2986440000e+00 -1.4737850000e+00 -7.4519200000e-01 -2.0344540000e+00  7.9537100000e-01  1.2687350000e+00  1.9051870000e+00  1.0709360000e+00  1.3042270000e+00  9.8919800000e-01 -6.9197000000e-02  1.6794790000e+00  1.9117910000e+00
-ENERGY -1.526536428512e+02
-FORCES -5.2400000000e-05  2.9860000000e-03 -3.3168000000e-03 -3.0866000000e-03 -9.2600000000e-04  2.3727000000e-03  3.1419000000e-03 -2.1826000000e-03  1.1878000000e-03 -2.7509000000e-03  9.7220000000e-04 -3.8825000000e-03 -8.0960000000e-04  4.5700000000e-04  3.6303000000e-03  3.5576000000e-03 -1.3067000000e-03  8.5000000000e-06
-
-JOB 58
-COORDS -2.8621000000e-01  2.2124430000e+00 -9.2907000000e-01  4.1949500000e-01  2.5177740000e+00 -1.4991450000e+00 -1.0886660000e+00  2.4250510000e+00 -1.4056140000e+00  2.8957200000e-01 -2.2965890000e+00  9.5485700000e-01 -3.4721100000e-01 -2.0514170000e+00  1.6261460000e+00  9.4427100000e-01 -1.5987160000e+00  9.7882100000e-01
-ENERGY -1.526547622013e+02
-FORCES -6.9310000000e-04  2.0114000000e-03 -4.6942000000e-03 -2.7895000000e-03 -1.2437000000e-03  2.4780000000e-03  3.3194000000e-03 -6.6080000000e-04  2.0042000000e-03 -1.9320000000e-04  4.7989000000e-03  2.4335000000e-03  2.4929000000e-03 -1.4391000000e-03 -2.4237000000e-03 -2.1365000000e-03 -3.4668000000e-03  2.0210000000e-04
-
-JOB 59
-COORDS -2.2647400000e+00 -1.0291090000e+00  2.1427200000e-01 -1.8397590000e+00 -1.8544030000e+00  4.4775200000e-01 -1.9943070000e+00 -4.1770400000e-01  8.9931400000e-01  2.1698400000e+00  1.0718850000e+00 -2.4404700000e-01  2.9614230000e+00  1.4538240000e+00 -6.2319300000e-01  2.3845450000e+00  1.4716800000e-01 -1.2144000000e-01
-ENERGY -1.526540656301e+02
-FORCES  3.0702000000e-03 -1.9490000000e-04  3.6242000000e-03 -1.5986000000e-03  3.1670000000e-03 -9.8220000000e-04 -1.4697000000e-03 -2.9716000000e-03 -2.5418000000e-03  4.1339000000e-03 -2.1012000000e-03 -1.6235000000e-03 -3.1959000000e-03 -1.6045000000e-03  1.6295000000e-03 -9.3980000000e-04  3.7052000000e-03 -1.0620000000e-04
-
-JOB 60
-COORDS  1.2722220000e+00 -9.8959500000e-01 -1.8945310000e+00  5.7713700000e-01 -9.7741500000e-01 -1.2365480000e+00  1.0356130000e+00 -1.7087160000e+00 -2.4802900000e+00 -1.2641600000e+00  9.7632400000e-01  1.8892380000e+00 -1.1235560000e+00  1.6176020000e+00  2.5858180000e+00 -6.6947000000e-01  1.2473870000e+00  1.1898810000e+00
-ENERGY -1.526546613469e+02
-FORCES -3.8894000000e-03 -3.5683000000e-03  1.7820000000e-04  3.0687000000e-03  7.9380000000e-04 -2.7300000000e-03  1.0512000000e-03  2.9601000000e-03  2.3190000000e-03  3.0273000000e-03  4.3683000000e-03  5.2720000000e-04 -6.6520000000e-04 -2.6163000000e-03 -2.8582000000e-03 -2.5926000000e-03 -1.9376000000e-03  2.5637000000e-03
-
-JOB 61
-COORDS  2.3501690000e+00  7.4595200000e-01 -6.8081300000e-01  1.8624840000e+00  6.4036300000e-01 -1.4976640000e+00  1.7666620000e+00  1.2535750000e+00 -1.1683600000e-01 -2.2467230000e+00 -7.9822900000e-01  6.5569700000e-01 -2.1285350000e+00 -2.3577500000e-01  1.4211440000e+00 -3.1951920000e+00 -8.4241200000e-01  5.3450400000e-01
-ENERGY -1.526543357439e+02
-FORCES -5.0182000000e-03  9.9570000000e-04 -1.0836000000e-03  2.4154000000e-03  7.8370000000e-04  3.0688000000e-03  2.6324000000e-03 -1.6265000000e-03 -2.0008000000e-03 -3.6981000000e-03  1.5469000000e-03  2.9660000000e-03 -3.0340000000e-04 -1.9703000000e-03 -3.4114000000e-03  3.9719000000e-03  2.7060000000e-04  4.6100000000e-04
-
-JOB 62
-COORDS -1.3520400000e+00  2.0636750000e+00  8.6558000000e-02 -2.1255940000e+00  2.5898560000e+00 -1.1587500000e-01 -9.1188100000e-01  2.5439910000e+00  7.8783500000e-01  1.3747740000e+00 -2.1612630000e+00 -1.5968800000e-01  8.6344300000e-01 -1.3535260000e+00 -1.1137700000e-01  1.8527670000e+00 -2.1926340000e+00  6.6902800000e-01
-ENERGY -1.526550785154e+02
-FORCES -1.9913000000e-03  4.6174000000e-03  1.6836000000e-03  3.2560000000e-03 -2.0183000000e-03  9.9520000000e-04 -1.6087000000e-03 -2.3174000000e-03 -2.8208000000e-03 -7.2190000000e-04  3.5798000000e-03  3.2776000000e-03  2.8366000000e-03 -3.9491000000e-03  8.0200000000e-05 -1.7706000000e-03  8.7400000000e-05 -3.2158000000e-03
-
-JOB 63
-COORDS  2.0620030000e+00  6.1815700000e-01 -1.2771340000e+00  2.6800400000e+00  3.7524200000e-01 -5.8774700000e-01  2.1689500000e+00  1.5645450000e+00 -1.3727570000e+00 -2.1118450000e+00 -6.3462100000e-01  1.1747300000e+00 -1.3347660000e+00 -6.6304600000e-01  1.7329160000e+00 -2.8004730000e+00 -1.0406580000e+00  1.7011880000e+00
-ENERGY -1.526535093340e+02
-FORCES  2.6864000000e-03  3.0422000000e-03  2.1283000000e-03 -2.6465000000e-03  8.9540000000e-04 -2.6034000000e-03 -2.4740000000e-04 -3.9248000000e-03  4.3000000000e-04  7.4930000000e-04 -1.8264000000e-03  4.0647000000e-03 -3.3349000000e-03  1.1670000000e-04 -1.8419000000e-03  2.7932000000e-03  1.6969000000e-03 -2.1777000000e-03
-
-JOB 64
-COORDS  2.5429590000e+00  3.3448600000e-01 -3.6709100000e-01  2.1928230000e+00 -2.7601200000e-01  2.8169900000e-01  2.1499480000e+00  1.1772780000e+00 -1.4020800000e-01 -2.5225760000e+00 -3.1388000000e-01  2.6722600000e-01 -2.5841860000e+00 -1.6061300000e-01  1.2100650000e+00 -2.0113890000e+00 -1.1192540000e+00  1.8790800000e-01
-ENERGY -1.526539582668e+02
-FORCES -3.2730000000e-03  1.3477000000e-03  3.3244000000e-03  1.3394000000e-03  2.1694000000e-03 -2.5396000000e-03  1.9455000000e-03 -3.5279000000e-03 -7.2330000000e-04  1.1677000000e-03 -2.9991000000e-03  3.1935000000e-03  6.5430000000e-04 -5.1680000000e-04 -3.9173000000e-03 -1.8339000000e-03  3.5267000000e-03  6.6240000000e-04
-
-JOB 65
-COORDS -8.8906300000e-01  1.1891440000e+00 -2.2808030000e+00 -5.8131400000e-01  1.7578460000e+00 -2.9865640000e+00 -8.0156600000e-01  1.7201920000e+00 -1.4892450000e+00  8.6032900000e-01 -1.1971620000e+00  2.2415490000e+00  2.0829700000e-01 -1.5740850000e+00  2.8323240000e+00  1.5952260000e+00 -1.8096720000e+00  2.2730170000e+00
-ENERGY -1.526541726627e+02
-FORCES  1.9034000000e-03  4.2473000000e-03  9.3330000000e-04 -1.2678000000e-03 -2.3098000000e-03  2.7471000000e-03 -6.5980000000e-04 -1.7764000000e-03 -3.6424000000e-03  2.5630000000e-04 -4.3479000000e-03  2.1899000000e-03  2.7016000000e-03  1.6432000000e-03 -2.2805000000e-03 -2.9337000000e-03  2.5436000000e-03  5.2700000000e-05
-
-JOB 66
-COORDS  1.2607720000e+00  2.4192410000e+00  6.1733300000e-01  3.1172900000e-01  2.2979470000e+00  5.8838900000e-01  1.5766460000e+00  1.7084800000e+00  1.1752520000e+00 -1.2796220000e+00 -2.3431930000e+00 -6.1114400000e-01 -1.2359070000e+00 -2.6479730000e+00 -1.5174730000e+00 -4.3542700000e-01 -2.5905280000e+00 -2.3379600000e-01
-ENERGY -1.526545165277e+02
-FORCES -2.9908000000e-03 -3.4406000000e-03  2.0980000000e-03  4.1025000000e-03  7.5780000000e-04  2.2450000000e-04 -1.0242000000e-03  2.7824000000e-03 -2.2598000000e-03  3.5286000000e-03 -2.5955000000e-03 -2.5560000000e-03 -1.8680000000e-04  1.2088000000e-03  3.8039000000e-03 -3.4293000000e-03  1.2871000000e-03 -1.3107000000e-03
-
-JOB 67
-COORDS -3.4640600000e-01  2.7203430000e+00 -4.6537800000e-01 -1.9027400000e-01  2.3571580000e+00  4.0637400000e-01  5.1909000000e-01  2.9923950000e+00 -7.7055900000e-01  3.4486400000e-01 -2.7542160000e+00  4.0685200000e-01 -5.5306900000e-01 -2.6492450000e+00  9.2322000000e-02  4.1578900000e-01 -2.1418310000e+00  1.1390990000e+00
-ENERGY -1.526540186905e+02
-FORCES  4.4396000000e-03 -1.0180000000e-04  2.0387000000e-03 -8.1380000000e-04  1.1356000000e-03 -3.4371000000e-03 -3.6304000000e-03 -1.0639000000e-03  1.3714000000e-03 -3.6289000000e-03  2.8185000000e-03  1.4263000000e-03  3.7633000000e-03 -5.3530000000e-04  1.4923000000e-03 -1.2970000000e-04 -2.2532000000e-03 -2.8916000000e-03
-
-JOB 68
-COORDS  2.0552310000e+00 -1.0507000000e-01 -1.8340220000e+00  2.7370390000e+00  2.9671000000e-02 -2.4922130000e+00  2.5327400000e+00 -2.0090800000e-01 -1.0099880000e+00 -2.1631060000e+00  8.3805000000e-02  1.7886350000e+00 -2.0761180000e+00  9.1869200000e-01  2.2486660000e+00 -1.3715740000e+00 -4.0176900000e-01  2.0208570000e+00
-ENERGY -1.526536195612e+02
-FORCES  4.6855000000e-03  1.7070000000e-04  4.1100000000e-04 -2.7895000000e-03 -5.4520000000e-04  2.7471000000e-03 -2.0586000000e-03  3.8090000000e-04 -3.1388000000e-03  3.7252000000e-03  1.4630000000e-03  2.3231000000e-03 -3.7500000000e-04 -3.4248000000e-03 -1.7239000000e-03 -3.1877000000e-03  1.9554000000e-03 -6.1850000000e-04
-
-JOB 69
-COORDS -1.2444710000e+00 -1.9095940000e+00  1.8429290000e+00 -5.9009600000e-01 -1.2764340000e+00  1.5477460000e+00 -9.9902800000e-01 -2.7275970000e+00  1.4106550000e+00  1.1578450000e+00  1.8839190000e+00 -1.8378120000e+00  9.1144600000e-01  2.5459370000e+00 -1.1918620000e+00  2.1147680000e+00  1.9040430000e+00 -1.8490410000e+00
-ENERGY -1.526544741532e+02
-FORCES  3.6198000000e-03 -6.5940000000e-04 -3.4635000000e-03 -2.6214000000e-03 -2.5854000000e-03  1.6911000000e-03 -9.8590000000e-04  3.1771000000e-03  1.9379000000e-03  2.8939000000e-03  3.3291000000e-03  2.1336000000e-03  1.0803000000e-03 -2.9955000000e-03 -2.4966000000e-03 -3.9868000000e-03 -2.6600000000e-04  1.9760000000e-04
-
-JOB 70
-COORDS -2.7172210000e+00 -1.4672330000e+00 -1.9566700000e-01 -1.7678590000e+00 -1.4605290000e+00 -7.3608000000e-02 -2.8477180000e+00 -1.1283320000e+00 -1.0813010000e+00  2.6874230000e+00  1.4258080000e+00  1.8811900000e-01  2.5218440000e+00  9.5718900000e-01  1.0061720000e+00  2.4275410000e+00  2.3285480000e+00  3.7184100000e-01
-ENERGY -1.526544493839e+02
-FORCES  3.4564000000e-03  1.3747000000e-03 -3.3801000000e-03 -3.9579000000e-03 -5.0400000000e-05 -2.0120000000e-04  3.9190000000e-04 -1.3773000000e-03  3.6500000000e-03 -1.3310000000e-03  2.1045000000e-03  4.2801000000e-03  4.4390000000e-04  1.7401000000e-03 -3.5364000000e-03  9.9680000000e-04 -3.7917000000e-03 -8.1240000000e-04
-
-JOB 71
-COORDS -1.5088490000e+00 -2.5525650000e+00 -6.4777100000e-01 -1.5088680000e+00 -3.2391200000e+00  1.9218000000e-02 -2.4148820000e+00 -2.5157810000e+00 -9.5434000000e-01  1.5084490000e+00  2.5814440000e+00  6.1341000000e-01  1.8926750000e+00  2.5391770000e+00  1.4890900000e+00  2.2421040000e+00  2.8028500000e+00  3.9859000000e-02
-ENERGY -1.526536274966e+02
-FORCES -3.7143000000e-03 -2.2972000000e-03  1.5597000000e-03  4.0900000000e-05  2.7072000000e-03 -2.7286000000e-03  3.6800000000e-03 -2.9360000000e-04  1.2006000000e-03  4.5082000000e-03  3.3010000000e-04  1.0768000000e-03 -1.5576000000e-03  2.9300000000e-04 -3.4907000000e-03 -2.9572000000e-03 -7.3950000000e-04  2.3821000000e-03
-
-JOB 72
-COORDS  1.4272180000e+00 -2.7436850000e+00 -1.3707500000e-01  2.0212640000e+00 -3.4870860000e+00 -3.3653000000e-02  1.6269680000e+00 -2.1719390000e+00  6.0416500000e-01 -1.4623130000e+00  2.7446990000e+00  2.7959000000e-02 -1.3416630000e+00  2.0879090000e+00  7.1374500000e-01 -1.6516270000e+00  3.5545130000e+00  5.0187200000e-01
-ENERGY -1.526537779038e+02
-FORCES  3.3845000000e-03 -6.9930000000e-04  3.2290000000e-03 -2.4551000000e-03  3.0432000000e-03 -3.8480000000e-04 -9.8730000000e-04 -2.2895000000e-03 -2.8695000000e-03 -4.1040000000e-04  4.6120000000e-04  4.5864000000e-03 -3.5000000000e-04  2.7934000000e-03 -2.6357000000e-03  8.1830000000e-04 -3.3089000000e-03 -1.9254000000e-03
-
-JOB 73
-COORDS  2.8158200000e-01  1.9878390000e+00  2.4501390000e+00  3.9054800000e-01  1.5093300000e+00  3.2719580000e+00  1.1637370000e+00  2.0361070000e+00  2.0817560000e+00 -3.0206200000e-01 -2.0096930000e+00 -2.5024570000e+00 -1.0869070000e+00 -1.5109560000e+00 -2.7294170000e+00 -5.7546000000e-02 -1.6902470000e+00 -1.6338960000e+00
-ENERGY -1.526544709525e+02
-FORCES  4.1559000000e-03 -1.3702000000e-03  2.2403000000e-03 -4.6680000000e-04  1.8666000000e-03 -3.5021000000e-03 -3.7383000000e-03 -4.0580000000e-04  1.3506000000e-03 -2.3975000000e-03  3.4915000000e-03  2.7179000000e-03  3.2088000000e-03 -2.1183000000e-03  7.9260000000e-04 -7.6210000000e-04 -1.4638000000e-03 -3.5993000000e-03
-
-JOB 74
-COORDS -2.4920750000e+00 -1.0148000000e+00 -2.1414240000e+00 -2.5142980000e+00 -1.6702100000e+00 -2.8386870000e+00 -2.1856640000e+00 -1.4938430000e+00 -1.3714490000e+00  2.4534290000e+00  1.0603800000e+00  2.1882880000e+00  3.0222290000e+00  5.7184700000e-01  1.5932810000e+00  2.3153640000e+00  1.9011420000e+00  1.7520660000e+00
-ENERGY -1.526542620639e+02
-FORCES  1.0385000000e-03 -4.6579000000e-03  4.6070000000e-04  1.4580000000e-04  2.6918000000e-03  2.8078000000e-03 -1.2210000000e-03  1.9311000000e-03 -3.2993000000e-03  1.7175000000e-03  1.6218000000e-03 -4.2673000000e-03 -2.3298000000e-03  1.8754000000e-03  2.4541000000e-03  6.4900000000e-04 -3.4623000000e-03  1.8440000000e-03
-
-JOB 75
-COORDS -3.2547860000e+00  1.3297340000e+00 -4.1012100000e-01 -3.4130720000e+00  1.4596480000e+00  5.2491900000e-01 -4.1270180000e+00  1.3360930000e+00 -8.0433300000e-01  3.2775810000e+00 -1.3797050000e+00  3.7164100000e-01  3.6888970000e+00 -1.1202280000e+00  1.1960940000e+00  3.5510470000e+00 -7.0926400000e-01 -2.5442300000e-01
-ENERGY -1.526539457843e+02
-FORCES -4.1518000000e-03  3.5030000000e-04  2.2530000000e-03  6.1070000000e-04 -4.1660000000e-04 -3.8169000000e-03  3.5524000000e-03  2.6900000000e-05  1.5906000000e-03  2.5558000000e-03  3.9326000000e-03  6.7620000000e-04 -1.6363000000e-03 -1.1006000000e-03 -3.3001000000e-03 -9.3080000000e-04 -2.7925000000e-03  2.5972000000e-03
-
-JOB 76
-COORDS -2.2250830000e+00  1.1659370000e+00 -2.6919080000e+00 -2.2949040000e+00  7.1603800000e-01 -1.8499180000e+00 -1.2906940000e+00  1.1447880000e+00 -2.8985510000e+00  2.1639230000e+00 -1.1646000000e+00  2.5912100000e+00  2.9836710000e+00 -9.4744300000e-01  3.0351550000e+00  1.4803110000e+00 -9.0195600000e-01  3.2075900000e+00
-ENERGY -1.526543848906e+02
-FORCES  3.6920000000e-03 -2.0641000000e-03  2.6289000000e-03  1.1830000000e-04  1.9130000000e-03 -3.4022000000e-03 -3.8686000000e-03  1.8980000000e-04  7.4380000000e-04  7.3700000000e-04  1.8507000000e-03  4.5144000000e-03 -3.3851000000e-03 -8.6290000000e-04 -1.8332000000e-03  2.7063000000e-03 -1.0265000000e-03 -2.6516000000e-03
-
-JOB 77
-COORDS -6.7485100000e-01  3.0476570000e+00  2.2956340000e+00 -1.1735060000e+00  3.5044830000e+00  2.9730450000e+00 -6.8373600000e-01  2.1302610000e+00  2.5686500000e+00  7.1988800000e-01 -2.9752090000e+00 -2.3935620000e+00  9.2853700000e-01 -3.0161320000e+00 -1.4602760000e+00  2.3800800000e-01 -3.7837850000e+00 -2.5674220000e+00
-ENERGY -1.526538698769e+02
-FORCES -2.0987000000e-03 -1.8420000000e-03  3.7920000000e-03  2.0459000000e-03 -1.8825000000e-03 -2.7539000000e-03  6.3600000000e-05  3.6903000000e-03 -1.0632000000e-03 -1.0795000000e-03 -3.4005000000e-03  3.0404000000e-03 -8.9270000000e-04  1.3460000000e-04 -3.7525000000e-03  1.9614000000e-03  3.3000000000e-03  7.3720000000e-04
-
-JOB 78
-COORDS -9.3180300000e-01  1.7822290000e+00 -3.4185840000e+00 -6.0139600000e-01  2.4764160000e+00 -2.8483500000e+00 -6.5358400000e-01  9.7048500000e-01 -2.9944410000e+00  8.9445200000e-01 -1.7147720000e+00  3.3748480000e+00  1.6320980000e+00 -2.3234820000e+00  3.3350860000e+00  1.5098600000e-01 -2.2164990000e+00  3.0405440000e+00
-ENERGY -1.526542229962e+02
-FORCES  2.5243000000e-03 -4.0450000000e-04  4.1681000000e-03 -1.3651000000e-03 -2.8197000000e-03 -2.4027000000e-03 -1.1736000000e-03  3.2164000000e-03 -1.8051000000e-03 -2.4300000000e-05 -4.6581000000e-03 -1.2647000000e-03 -3.0274000000e-03  2.5324000000e-03  7.4200000000e-05  3.0661000000e-03  2.1335000000e-03  1.2303000000e-03
-
-JOB 79
-COORDS -2.5025030000e+00  9.9613200000e-01  2.7960200000e+00 -3.1684670000e+00  3.9252400000e-01  2.4668080000e+00 -2.4060460000e+00  7.6623800000e-01  3.7201830000e+00  2.5381500000e+00 -1.0120690000e+00 -2.8440760000e+00  3.2594670000e+00 -4.6724200000e-01 -2.5292790000e+00  1.8014010000e+00 -4.0736700000e-01 -2.9322100000e+00
-ENERGY -1.526542622143e+02
-FORCES -2.3328000000e-03 -3.4830000000e-03  2.4854000000e-03  2.7102000000e-03  2.5081000000e-03  1.3143000000e-03 -3.9830000000e-04  9.6860000000e-04 -3.7665000000e-03 -1.4280000000e-04  4.7778000000e-03  1.0802000000e-03 -2.8621000000e-03 -2.2537000000e-03 -1.3440000000e-03  3.0257000000e-03 -2.5178000000e-03  2.3060000000e-04
-
-JOB 80
-COORDS  4.6481400000e-01  4.1261110000e+00 -5.0205300000e-01 -4.8676100000e-01  4.0858510000e+00 -4.0657600000e-01  6.3864100000e-01  3.7151260000e+00 -1.3488750000e+00 -4.4241500000e-01 -4.0857750000e+00  4.7585200000e-01 -9.5959000000e-01 -4.5938730000e+00  1.1008310000e+00  3.6731900000e-01 -3.8821230000e+00  9.4392100000e-01
-ENERGY -1.526542387237e+02
-FORCES -3.2173000000e-03 -1.9456000000e-03 -3.1065000000e-03  3.8798000000e-03  2.3430000000e-04 -3.5710000000e-04 -6.6680000000e-04  1.7425000000e-03  3.4531000000e-03  1.2443000000e-03 -1.2570000000e-03  4.5113000000e-03  2.0852000000e-03  2.0758000000e-03 -2.5623000000e-03 -3.3254000000e-03 -8.5000000000e-04 -1.9385000000e-03
-
-JOB 81
-COORDS  2.9824610000e+00 -1.8170290000e+00  2.5615970000e+00  3.2324930000e+00 -1.1918750000e+00  1.8812310000e+00  3.6877010000e+00 -2.4642260000e+00  2.5637290000e+00 -3.0011960000e+00  1.8509390000e+00 -2.5630380000e+00 -2.7611700000e+00  1.1127200000e+00 -2.0029910000e+00 -3.9274400000e+00  2.0031550000e+00 -2.3755960000e+00
-ENERGY -1.526542208628e+02
-FORCES  3.9897000000e-03 -6.1900000000e-05 -2.7396000000e-03 -1.0788000000e-03 -2.5800000000e-03  2.7723000000e-03 -2.8952000000e-03  2.6281000000e-03 -1.1700000000e-05 -2.8320000000e-03 -2.4090000000e-03  3.1165000000e-03 -9.5000000000e-04  3.0303000000e-03 -2.3444000000e-03  3.7662000000e-03 -6.0760000000e-04 -7.9310000000e-04
-
-JOB 82
-COORDS  2.3136960000e+00 -2.9958820000e+00 -2.0847170000e+00  2.4085090000e+00 -2.6637790000e+00 -2.9774380000e+00  3.1515020000e+00 -3.4184350000e+00 -1.8956100000e+00 -2.3164890000e+00  3.0218360000e+00  2.0843840000e+00 -3.0154600000e+00  3.4873530000e+00  2.5436930000e+00 -2.4209070000e+00  2.1084800000e+00  2.3510500000e+00
-ENERGY -1.526540976926e+02
-FORCES  3.8165000000e-03 -2.5070000000e-04 -2.8857000000e-03 -3.7900000000e-04 -1.4199000000e-03  3.6278000000e-03 -3.4246000000e-03  1.6839000000e-03 -7.5960000000e-04 -3.2137000000e-03 -1.9659000000e-03  2.9047000000e-03  2.8416000000e-03 -1.8577000000e-03 -1.8675000000e-03  3.5930000000e-04  3.8103000000e-03 -1.0196000000e-03
-
-JOB 83
-COORDS -3.1805460000e+00 -1.3909260000e+00 -2.8332670000e+00 -3.8265930000e+00 -6.8542800000e-01 -2.7996900000e+00 -2.3640810000e+00 -9.8257200000e-01 -2.5454070000e+00  3.1542140000e+00  1.3887790000e+00  2.7863800000e+00  3.7448880000e+00  7.1219500000e-01  2.4553670000e+00  2.9230680000e+00  1.0953360000e+00  3.6676830000e+00
-ENERGY -1.526542341714e+02
-FORCES  7.2760000000e-04  4.6161000000e-03  1.3390000000e-03  2.5954000000e-03 -2.9001000000e-03 -1.5430000000e-04 -3.3422000000e-03 -1.7311000000e-03 -1.2046000000e-03  1.5580000000e-03 -3.9529000000e-03  2.3339000000e-03 -2.4547000000e-03  2.7664000000e-03  1.3090000000e-03  9.1590000000e-04  1.2016000000e-03 -3.6230000000e-03
-
-JOB 84
-COORDS -9.3352000000e-02 -3.2863550000e+00  3.1312520000e+00 -2.8762400000e-01 -3.3915130000e+00  2.1998920000e+00 -8.0649900000e-01 -3.7423630000e+00  3.5781400000e+00  1.5854500000e-01  3.3160950000e+00 -3.0393800000e+00 -7.2137700000e-01  3.3914040000e+00 -3.4085650000e+00  7.3184700000e-01  3.2302700000e+00 -3.8010820000e+00
-ENERGY -1.526539971289e+02
-FORCES -3.6901000000e-03 -2.1603000000e-03 -2.0333000000e-03  7.7490000000e-04  3.3040000000e-04  3.8237000000e-03  2.9066000000e-03  1.8301000000e-03 -1.8084000000e-03 -1.2046000000e-03  1.7400000000e-05 -4.5855000000e-03  3.5772000000e-03 -3.4500000000e-04  1.5044000000e-03 -2.3640000000e-03  3.2740000000e-04  3.0992000000e-03
-
-JOB 85
-COORDS  3.1780720000e+00 -3.3758080000e+00  5.5838200000e-01  3.4158460000e+00 -4.2617490000e+00  8.3188400000e-01  3.4023970000e+00 -3.3434090000e+00 -3.7159700000e-01 -3.2104350000e+00  3.4649750000e+00 -4.7341400000e-01 -3.2353650000e+00  2.5086150000e+00 -4.4203600000e-01 -3.0544750000e+00  3.6708670000e+00 -1.3951070000e+00
-ENERGY -1.526540805781e+02
-FORCES  1.9690000000e-03 -3.4924000000e-03 -2.6160000000e-03 -9.9240000000e-04  3.6166000000e-03 -1.1400000000e-03 -9.7070000000e-04 -1.1870000000e-04  3.7697000000e-03  6.2750000000e-04 -3.1262000000e-03 -3.5581000000e-03  2.8800000000e-05  3.9356000000e-03 -1.8280000000e-04 -6.6230000000e-04 -8.1490000000e-04  3.7271000000e-03
-
-JOB 86
-COORDS  4.5630260000e+00  3.8679300000e-01  2.6740940000e+00  4.5039530000e+00  4.1461200000e-01  1.7191240000e+00  3.6697820000e+00  2.0241100000e-01  2.9645250000e+00 -4.5597240000e+00 -3.8960500000e-01 -2.5911700000e+00 -4.4724180000e+00 -8.4452700000e-01 -3.4288190000e+00 -3.8395390000e+00  2.4088500000e-01 -2.5842830000e+00
-ENERGY -1.526540366566e+02
-FORCES -3.8872000000e-03 -6.6430000000e-04 -2.6581000000e-03  2.3170000000e-04 -9.9600000000e-05  3.8683000000e-03  3.6550000000e-03  7.6930000000e-04 -1.2206000000e-03  3.1978000000e-03  7.2950000000e-04 -3.4567000000e-03 -3.1770000000e-04  1.8600000000e-03  3.4456000000e-03 -2.8795000000e-03 -2.5949000000e-03  2.1500000000e-05
-
-JOB 87
-COORDS -8.6702000000e-02 -2.8476240000e+00  4.5264030000e+00  4.3579400000e-01 -3.6456350000e+00  4.6064590000e+00 -9.1845400000e-01 -3.1416160000e+00  4.1549340000e+00  8.8767000000e-02  2.9524620000e+00 -4.5499280000e+00 -4.4801900000e-01  2.4023310000e+00 -3.9794460000e+00  9.8092900000e-01  2.6288600000e+00 -4.4251900000e+00
-ENERGY -1.526541090158e+02
-FORCES -1.2791000000e-03 -4.4885000000e-03 -1.0842000000e-03 -2.1282000000e-03  3.2704000000e-03 -3.6690000000e-04  3.4105000000e-03  1.2231000000e-03  1.4610000000e-03  1.4702000000e-03 -3.5348000000e-03  2.9035000000e-03  2.1672000000e-03  2.2230000000e-03 -2.3666000000e-03 -3.6406000000e-03  1.3068000000e-03 -5.4680000000e-04
-
-JOB 88
-COORDS -7.7845600000e-01 -3.0759510000e+00 -4.3566680000e+00  5.6243000000e-02 -2.7494760000e+00 -4.0206280000e+00 -5.8244100000e-01 -3.3626080000e+00 -5.2486540000e+00  6.8841700000e-01  3.0546130000e+00  4.4506060000e+00  9.6846000000e-01  2.4965740000e+00  3.7250720000e+00  9.2202600000e-01  3.9411670000e+00  4.1755050000e+00
-ENERGY -1.526540294041e+02
-FORCES  4.1807000000e-03  1.0490000000e-04 -2.2977000000e-03 -3.3983000000e-03 -1.2899000000e-03 -1.3445000000e-03 -7.8890000000e-04  1.1887000000e-03  3.6499000000e-03  2.0370000000e-03  1.3309000000e-03 -4.0895000000e-03 -1.0998000000e-03  2.2834000000e-03  2.9589000000e-03 -9.3070000000e-04 -3.6181000000e-03  1.1229000000e-03
-
-JOB 89
-COORDS -1.0969130000e+00 -5.5393110000e+00  2.4637450000e+00 -1.8753630000e+00 -5.9646050000e+00  2.8234290000e+00 -4.9511800000e-01 -6.2595760000e+00  2.2758780000e+00  1.1307800000e+00  5.5656020000e+00 -2.4271080000e+00  1.2886500000e+00  5.4762940000e+00 -3.3669660000e+00  4.7046900000e-01  6.2552400000e+00 -2.3591380000e+00
-ENERGY -1.526540056847e+02
-FORCES -6.9910000000e-04 -4.6449000000e-03  7.0000000000e-04  3.1693000000e-03  1.7280000000e-03 -1.4692000000e-03 -2.4660000000e-03  2.9250000000e-03  7.6690000000e-04 -2.0742000000e-03  2.3996000000e-03 -3.5375000000e-03 -6.3360000000e-04  3.8550000000e-04  3.8257000000e-03  2.7036000000e-03 -2.7931000000e-03 -2.8590000000e-04
-
-JOB 0
-COORDS -9.1736000000e-02  1.2488030000e+00 -7.5580000000e-03  6.5373800000e-01  1.8453420000e+00 -7.5685000000e-02 -8.5441300000e-01  1.8238860000e+00  5.4365000000e-02  1.0627600000e-01 -1.3512630000e+00 -4.9210000000e-02 -2.0101000000e-02 -4.0437600000e-01  1.1329000000e-02  2.0772000000e-02 -1.6628810000e+00  8.5179800000e-01
-ENERGY -1.526589238747e+02
-FORCES  1.4027000000e-03 -1.0042800000e-02 -8.0000000000e-04 -5.2489000000e-03 -1.1411000000e-03  6.7530000000e-04  5.0651000000e-03 -1.4028000000e-03  1.3000000000e-06 -1.6003000000e-03  1.7656100000e-02  1.8260000000e-03  4.8570000000e-04 -7.3336000000e-03  3.5900000000e-04 -1.0440000000e-04  2.2641000000e-03 -2.0616000000e-03
-
-JOB 1
-COORDS -1.1962370000e+00  3.9488100000e-01 -2.3996200000e-01 -1.0779320000e+00  1.2163000000e+00  2.3701500000e-01 -1.5227390000e+00  6.6130600000e-01 -1.0994070000e+00  1.2624200000e+00 -4.8214400000e-01  2.3342000000e-01  3.6593700000e-01 -7.0114300000e-01 -2.0722000000e-02  1.1624520000e+00  1.2883400000e-01  9.6345000000e-01
-ENERGY -1.526548690103e+02
-FORCES  9.6862000000e-03  2.5793000000e-03 -2.5910000000e-04 -3.6040000000e-04 -3.8783000000e-03 -1.4767000000e-03  1.8537000000e-03 -9.7260000000e-04  4.1971000000e-03 -1.7101700000e-02  6.6632000000e-03 -1.4746000000e-03  5.1559000000e-03 -4.3475000000e-03  3.9330000000e-04  7.6630000000e-04 -4.4100000000e-05 -1.3800000000e-03
-
-JOB 2
-COORDS  2.5050700000e-01  6.4103500000e-01 -1.0889090000e+00 -6.8897500000e-01  8.2393900000e-01 -1.1012160000e+00  6.3545600000e-01  1.3255600000e+00 -1.6361490000e+00 -2.0202400000e-01 -6.8524100000e-01  1.1784690000e+00  2.5327100000e-01 -3.6367300000e-01  4.0030900000e-01 -9.9710400000e-01 -1.0959430000e+00  8.3875800000e-01
-ENERGY -1.526575470102e+02
-FORCES -2.0690000000e-03  1.2900000000e-04  5.7218000000e-03  4.7890000000e-03 -2.1076000000e-03 -4.3710000000e-04 -3.7290000000e-03 -2.4853000000e-03  2.3521000000e-03  3.5677000000e-03  4.9654000000e-03 -1.2730900000e-02 -4.1558000000e-03 -3.5278000000e-03  4.9908000000e-03  1.5971000000e-03  3.0262000000e-03  1.0330000000e-04
-
-JOB 3
-COORDS  4.4019200000e-01  1.0973380000e+00 -5.0125500000e-01 -9.4174000000e-02  1.8430790000e+00 -7.7430300000e-01  1.2049950000e+00  1.4910590000e+00 -8.1385000000e-02 -5.0582100000e-01 -1.1938510000e+00  5.2399100000e-01 -3.8131700000e-01 -2.4500700000e-01  5.4461600000e-01  2.5766000000e-01 -1.5258660000e+00  5.1662000000e-02
-ENERGY -1.526576200429e+02
-FORCES -1.3715000000e-03 -1.4213000000e-03  4.6740000000e-04  2.9752000000e-03 -3.9221000000e-03  2.5769000000e-03 -4.7070000000e-03 -2.9478000000e-03 -1.6714000000e-03  7.9424000000e-03  1.3255600000e-02 -9.0732000000e-03 -3.4288000000e-03 -3.5393000000e-03  5.5287000000e-03 -1.4103000000e-03 -1.4250000000e-03  2.1717000000e-03
-
-JOB 4
-COORDS  7.1939500000e-01 -8.2584300000e-01 -7.3812100000e-01  1.1507160000e+00 -1.5257890000e+00 -2.4794700000e-01  1.3044260000e+00 -6.5384600000e-01 -1.4759470000e+00 -7.6443700000e-01  9.1248400000e-01  7.8010800000e-01 -1.1084000000e-01  3.2734600000e-01  3.9715100000e-01 -1.5893690000e+00  4.3283100000e-01  7.0491800000e-01
-ENERGY -1.526602183531e+02
-FORCES  8.3880000000e-04  2.6387000000e-03 -4.5730000000e-04 -2.4549000000e-03  4.5606000000e-03 -2.2056000000e-03 -2.2091000000e-03 -2.5336000000e-03  3.8975000000e-03  5.2336000000e-03 -9.7996000000e-03 -9.3145000000e-03 -3.4862000000e-03  3.9616000000e-03  7.3843000000e-03  2.0777000000e-03  1.1722000000e-03  6.9560000000e-04
-
-JOB 5
-COORDS  6.6937700000e-01  1.0977510000e+00  2.4415800000e-01  9.4087300000e-01  1.7542180000e+00 -3.9738100000e-01  9.9131400000e-01  1.4325900000e+00  1.0811000000e+00 -7.6558900000e-01 -1.1684480000e+00 -2.8117900000e-01 -2.8366900000e-01 -3.5384300000e-01 -1.3833800000e-01 -1.7556200000e-01 -1.8543120000e+00  3.1377000000e-02
-ENERGY -1.526606632023e+02
-FORCES -2.0611000000e-03 -2.2542000000e-03  8.0400000000e-05 -6.9110000000e-04 -2.4959000000e-03  4.3559000000e-03 -3.1370000000e-04 -3.8460000000e-04 -4.8928000000e-03  9.0018000000e-03  9.8549000000e-03  3.4331000000e-03 -4.5213000000e-03 -6.7891000000e-03 -2.6461000000e-03 -1.4147000000e-03  2.0690000000e-03 -3.3070000000e-04
-
-JOB 6
-COORDS -1.7145600000e-01 -5.8731100000e-01 -1.2065090000e+00 -7.2071300000e-01 -1.0260650000e+00 -5.5686000000e-01 -5.5642000000e-02 -1.2363030000e+00 -1.9005030000e+00  2.4358400000e-01  6.7529000000e-01  1.2547520000e+00 -7.0334100000e-01  5.7109800000e-01  1.3480760000e+00  4.3172200000e-01  3.7402700000e-01  3.6588900000e-01
-ENERGY -1.526572084017e+02
-FORCES -1.6330000000e-04 -3.3726000000e-03  7.6960000000e-04  3.5865000000e-03  4.7369000000e-03 -1.5509000000e-03 -1.8498000000e-03  2.3461000000e-03  3.8607000000e-03 -1.9801000000e-03 -1.7293000000e-03 -9.9477000000e-03  2.8747000000e-03 -2.0510000000e-03 -7.8400000000e-04 -2.4679000000e-03  6.9900000000e-05  7.6524000000e-03
-
-JOB 7
-COORDS -4.0521400000e-01  1.1260050000e+00  6.2324600000e-01 -3.9486000000e-02  1.7689380000e+00  1.5701000000e-02 -1.2498420000e+00  1.4942240000e+00  8.8257100000e-01  4.8858000000e-01 -1.1589190000e+00 -6.2648200000e-01  1.2384600000e-01 -2.0380220000e+00 -7.2835700000e-01 -1.8002200000e-01 -6.7657500000e-01 -1.4012100000e-01
-ENERGY -1.526599974708e+02
-FORCES  2.0824000000e-03  3.1754000000e-03 -3.4539000000e-03 -3.1454000000e-03 -2.0798000000e-03  3.7447000000e-03  3.8375000000e-03 -2.4476000000e-03 -1.8998000000e-03 -4.4099000000e-03  6.1311000000e-03  5.3363000000e-03 -2.9230000000e-04  3.9698000000e-03  1.4352000000e-03  1.9277000000e-03 -8.7489000000e-03 -5.1625000000e-03
-
-JOB 8
-COORDS  9.0858700000e-01  9.2043000000e-01 -6.1670000000e-01  1.4256310000e+00  6.2240600000e-01 -1.3650840000e+00  3.7719700000e-01  1.6191200000e-01 -3.7481900000e-01 -8.6732400000e-01 -8.5913700000e-01  5.9901900000e-01 -9.6823800000e-01 -1.5671800000e+00  1.2351980000e+00 -1.5320130000e+00 -2.1672800000e-01  8.4747200000e-01
-ENERGY -1.526611997838e+02
-FORCES -4.4032000000e-03 -8.4994000000e-03  2.6876000000e-03 -1.9162000000e-03 -2.0490000000e-04  2.7009000000e-03  3.7290000000e-03  7.6280000000e-03 -5.0777000000e-03  4.8470000000e-04  1.4818000000e-03  2.9204000000e-03 -1.2859000000e-03  3.5880000000e-03 -2.2765000000e-03  3.3916000000e-03 -3.9935000000e-03 -9.5460000000e-04
-
-JOB 9
-COORDS  1.2407020000e+00  2.9061200000e-01  4.8047700000e-01  1.9404700000e+00  6.1559300000e-01 -8.6042000000e-02  1.1192250000e+00  9.8119700000e-01  1.1320660000e+00 -1.3224220000e+00 -4.0230500000e-01 -4.8220600000e-01 -1.3361240000e+00  3.3975400000e-01 -1.0866840000e+00 -5.0906800000e-01 -2.9513100000e-01  1.0947000000e-02
-ENERGY -1.526598574019e+02
-FORCES  8.4320000000e-04  2.3349000000e-03 -2.4470000000e-03 -3.2040000000e-03 -2.4050000000e-04  3.6093000000e-03 -3.0660000000e-04 -3.4523000000e-03 -4.3879000000e-03  1.2233500000e-02  4.7284000000e-03  1.7146000000e-03 -5.6990000000e-04 -1.7943000000e-03  1.2869000000e-03 -8.9962000000e-03 -1.5762000000e-03  2.2410000000e-04
-
-JOB 10
-COORDS -6.4378500000e-01  5.5247700000e-01 -1.0970720000e+00 -8.5521100000e-01 -2.0965000000e-02 -1.8337500000e+00  8.0875000000e-02  1.0920510000e+00 -1.4132360000e+00  6.2460100000e-01 -5.9405700000e-01  1.1462260000e+00  1.2403100000e-01 -3.4821800000e-01  1.9241880000e+00  8.0170700000e-01  2.3552100000e-01  7.0275500000e-01
-ENERGY -1.526515395562e+02
-FORCES  2.2087000000e-03 -5.2812000000e-03 -1.9099000000e-03  4.6570000000e-04  3.3416000000e-03  2.5270000000e-03 -1.6954000000e-03 -2.9778000000e-03  4.8764000000e-03 -7.1157000000e-03  6.6017000000e-03 -5.3641000000e-03  2.0036000000e-03 -1.1563000000e-03 -2.5279000000e-03  4.1330000000e-03 -5.2800000000e-04  2.3985000000e-03
-
-JOB 11
-COORDS  8.5591100000e-01 -1.1609630000e+00 -2.9827000000e-02  1.2659180000e+00 -7.4781900000e-01 -7.8972000000e-01  6.5690000000e-03 -1.4641590000e+00 -3.5064100000e-01 -8.4696100000e-01  1.1904590000e+00  3.8886000000e-02 -2.2971500000e-01  4.6120000000e-01  9.7374000000e-02 -1.1870410000e+00  1.2889370000e+00  9.2820000000e-01
-ENERGY -1.526591334439e+02
-FORCES -1.5090000000e-04 -2.7700000000e-03 -5.8827000000e-03 -4.2671000000e-03 -1.6680000000e-04  5.5551000000e-03  4.0295000000e-03  5.7616000000e-03  3.4155000000e-03  6.4262000000e-03 -6.7066000000e-03  5.2760000000e-03 -6.9769000000e-03  4.7841000000e-03 -5.3014000000e-03  9.3920000000e-04 -9.0240000000e-04 -3.0625000000e-03
-
-JOB 12
-COORDS -1.3237790000e+00  6.1010700000e-01  4.8748000000e-02 -4.1557100000e-01  3.3802300000e-01  1.8050800000e-01 -1.6119130000e+00  9.1009000000e-01  9.1085000000e-01  1.2308070000e+00 -5.7351200000e-01 -8.8759000000e-02  1.9865040000e+00 -2.8704100000e-01 -6.0167900000e-01  1.4624840000e+00 -1.4531810000e+00  2.0913300000e-01
-ENERGY -1.526611244997e+02
-FORCES  8.9245000000e-03 -3.4106000000e-03  1.3883000000e-03 -8.6757000000e-03  4.8636000000e-03  1.5225000000e-03  1.9028000000e-03 -1.6077000000e-03 -2.3580000000e-03  2.1300000000e-04 -1.5410000000e-03 -1.6086000000e-03 -2.7761000000e-03 -2.5695000000e-03  2.7593000000e-03  4.1150000000e-04  4.2653000000e-03 -1.7034000000e-03
-
-JOB 13
-COORDS  1.2050210000e+00  6.2747400000e-01 -5.6668600000e-01  1.5986790000e+00  1.2197200000e+00  7.4024000000e-02  4.0622300000e-01  3.1273200000e-01 -1.4349700000e-01 -1.1814460000e+00 -5.9700400000e-01  4.4450800000e-01 -4.9978900000e-01 -1.2591330000e+00  5.5923100000e-01 -1.7324580000e+00 -6.8253100000e-01  1.2225210000e+00
-ENERGY -1.526586900160e+02
-FORCES -8.1013000000e-03  1.1833000000e-03  4.8329000000e-03 -1.5360000000e-03 -2.2981000000e-03 -1.6848000000e-03  9.3725000000e-03 -3.6569000000e-03 -1.8257000000e-03 -1.0518000000e-03 -2.6420000000e-03  3.3379000000e-03 -1.5736000000e-03  8.1680000000e-03 -9.7460000000e-04  2.8901000000e-03 -7.5430000000e-04 -3.6856000000e-03
-
-JOB 14
-COORDS  1.3548190000e+00 -1.6032700000e-01  4.5135700000e-01  1.6552980000e+00 -8.7204500000e-01 -1.1379900000e-01  1.4334400000e+00  6.2531800000e-01 -8.9765000000e-02 -1.3836360000e+00  1.6644200000e-01 -4.6425700000e-01 -2.0514190000e+00 -5.8426000000e-02  1.8361100000e-01 -5.7289000000e-01  2.3357300000e-01  4.0139000000e-02
-ENERGY -1.526595134883e+02
-FORCES  2.9378000000e-03 -2.4278000000e-03 -5.9657000000e-03 -6.1340000000e-04  3.9378000000e-03  2.9806000000e-03 -4.9212000000e-03 -4.5950000000e-03  3.4087000000e-03  6.2903000000e-03 -2.8100000000e-03  6.9927000000e-03  2.5978000000e-03  4.9960000000e-04 -1.9146000000e-03 -6.2914000000e-03  5.3954000000e-03 -5.5018000000e-03
-
-JOB 15
-COORDS -1.0492850000e+00  7.0830300000e-01  7.9121600000e-01 -1.0195520000e+00  1.6334740000e+00  5.4748100000e-01 -1.4489800000e-01  4.0756600000e-01  7.0248200000e-01  1.0482640000e+00 -7.0483700000e-01 -7.8073700000e-01  9.7755000000e-01 -1.5911040000e+00 -4.2610700000e-01  1.5051600000e-01 -4.6657200000e-01 -1.0120560000e+00
-ENERGY -1.526594173381e+02
-FORCES  7.1405000000e-03  2.2138000000e-03  1.7780000000e-04 -3.6000000000e-06 -4.1651000000e-03  3.4000000000e-05 -8.3721000000e-03  7.5090000000e-04 -1.1295000000e-03 -5.2887000000e-03 -4.3395000000e-03 -2.3575000000e-03  1.7360000000e-04  4.8706000000e-03 -6.9100000000e-04  6.3503000000e-03  6.6940000000e-04  3.9662000000e-03
-
-JOB 16
-COORDS  1.1956330000e+00  3.4676000000e-01 -8.8735600000e-01  3.0547100000e-01  2.7350000000e-02 -7.3963800000e-01  1.3786000000e+00  9.0540200000e-01 -1.3192700000e-01 -1.1197720000e+00 -3.1731600000e-01  7.9508200000e-01 -1.7716170000e+00 -9.5061700000e-01  4.9465100000e-01 -1.1056930000e+00 -4.2047100000e-01  1.7466030000e+00
-ENERGY -1.526588783442e+02
-FORCES -7.9270000000e-03 -2.2960000000e-04  8.6807000000e-03  3.7413000000e-03  1.6200000000e-04 -6.5588000000e-03  1.5468000000e-03 -8.6560000000e-04 -2.4145000000e-03 -2.3000000000e-04 -2.4787000000e-03  3.5915000000e-03  3.8373000000e-03  3.0031000000e-03  8.7920000000e-04 -9.6840000000e-04  4.0880000000e-04 -4.1781000000e-03
-
-JOB 17
-COORDS  7.4027400000e-01 -1.6695800000e-01 -1.2644630000e+00  1.6027980000e+00 -4.8803000000e-01 -1.5275160000e+00  8.2361600000e-01  3.7680000000e-03 -3.2630600000e-01 -7.5907400000e-01  1.2263400000e-01  1.2187010000e+00 -6.8561100000e-01  6.5059600000e-01  2.0137420000e+00 -1.3991240000e+00  5.8779700000e-01  6.8000600000e-01
-ENERGY -1.526597602567e+02
-FORCES  4.3100000000e-04 -1.0016000000e-03  6.4220000000e-03 -2.9106000000e-03  1.1962000000e-03  2.1731000000e-03  4.2156000000e-03  4.9860000000e-04 -8.2314000000e-03 -5.4694000000e-03  3.0576000000e-03 -2.0430000000e-04  3.6420000000e-04 -2.2451000000e-03 -4.1361000000e-03  3.3692000000e-03 -1.5057000000e-03  3.9766000000e-03
-
-JOB 18
-COORDS -2.1503000000e-02 -1.4089380000e+00 -2.0669400000e-01  5.2118200000e-01 -1.4614680000e+00 -9.9343700000e-01  2.2756500000e-01 -2.1763650000e+00  3.0833300000e-01  1.7153000000e-02  1.4850280000e+00  1.8740300000e-01 -2.6838200000e-01  1.7370500000e+00  1.0655750000e+00 -5.4516800000e-01  7.4608300000e-01 -4.4952000000e-02
-ENERGY -1.526577207850e+02
-FORCES  5.2431000000e-03 -9.3180000000e-04  3.3510000000e-04 -3.1468000000e-03 -3.9810000000e-04  3.2807000000e-03 -5.6600000000e-04  2.8579000000e-03 -2.5250000000e-03 -2.5942000000e-03 -8.3168000000e-03  2.6545000000e-03  1.0157000000e-03 -8.3430000000e-04 -2.7210000000e-03  4.8200000000e-05  7.6232000000e-03 -1.0243000000e-03
-
-JOB 19
-COORDS -2.2810900000e-01 -1.3849820000e+00 -2.7753000000e-01 -2.3492700000e-01 -2.3418110000e+00 -3.0330100000e-01 -3.9356700000e-01 -1.1193580000e+00 -1.1821290000e+00  2.2506200000e-01  1.4507980000e+00  2.6599400000e-01 -1.9259700000e-01  6.6829200000e-01  6.2582300000e-01  8.3174200000e-01  1.7349400000e+00  9.4968600000e-01
-ENERGY -1.526591926677e+02
-FORCES  4.5570000000e-04 -1.4477000000e-03 -4.7542000000e-03  5.3270000000e-04  4.1313000000e-03 -6.7710000000e-04 -3.4090000000e-04 -2.7586000000e-03  4.4045000000e-03  9.6930000000e-04 -6.6141000000e-03  3.5246000000e-03  5.2760000000e-04  7.7911000000e-03 -4.3030000000e-04 -2.1444000000e-03 -1.1019000000e-03 -2.0676000000e-03
-
-JOB 20
-COORDS  3.1235400000e-01  1.1484980000e+00  8.1880000000e-01  9.9646600000e-01  9.0440500000e-01  1.4422100000e+00  7.0308800000e-01  1.8483350000e+00  2.9555500000e-01 -4.1948400000e-01 -1.1803620000e+00 -8.6925600000e-01 -3.4785800000e-01 -4.9229600000e-01 -2.0769200000e-01  3.3426300000e-01 -1.7478560000e+00 -7.0786600000e-01
-ENERGY -1.526606364387e+02
-FORCES  4.5301000000e-03  3.3278000000e-03 -7.7090000000e-04 -3.0617000000e-03  4.1880000000e-04 -3.8490000000e-03 -1.1664000000e-03 -3.2205000000e-03  3.5090000000e-03  4.0396000000e-03  6.1552000000e-03  6.4360000000e-03 -2.3104000000e-03 -8.5320000000e-03 -5.0501000000e-03 -2.0312000000e-03  1.8507000000e-03 -2.7510000000e-04
-
-JOB 21
-COORDS -9.1030000000e-03 -8.3036600000e-01  1.2858200000e+00  1.2708900000e-01 -3.1391600000e-01  4.9148800000e-01 -9.2061600000e-01 -1.1175590000e+00  1.2320060000e+00  3.0047000000e-02  7.6866200000e-01 -1.1998890000e+00  1.5542000000e-02  1.7031900000e+00 -9.9330100000e-01  4.4826100000e-01  7.1936600000e-01 -2.0594810000e+00
-ENERGY -1.526617555286e+02
-FORCES -2.4772000000e-03  3.3686000000e-03 -8.8618000000e-03 -6.7300000000e-05 -3.5448000000e-03  9.0153000000e-03  2.6041000000e-03  7.2480000000e-04  6.7600000000e-04  1.8982000000e-03  2.6712000000e-03 -3.2203000000e-03  3.6930000000e-04 -4.8388000000e-03 -1.2891000000e-03 -2.3271000000e-03  1.6190000000e-03  3.6800000000e-03
-
-JOB 22
-COORDS  1.0976090000e+00 -1.4258700000e-01  8.9955100000e-01  1.5781830000e+00 -8.8972300000e-01  5.4308300000e-01  1.4831470000e+00  4.6100000000e-04  1.7639170000e+00 -1.1341760000e+00  2.2377000000e-01 -9.8707100000e-01 -5.4688300000e-01 -1.2607600000e-01 -3.1705000000e-01 -1.9982000000e+00 -1.1140200000e-01 -7.4758400000e-01
-ENERGY -1.526597097472e+02
-FORCES  3.7882000000e-03  2.1160000000e-04  3.1806000000e-03 -3.8810000000e-03  3.4379000000e-03  1.7606000000e-03 -4.4440000000e-04 -1.4773000000e-03 -4.1115000000e-03  3.0456000000e-03 -1.2121000000e-03  7.0228000000e-03 -5.7086000000e-03 -1.9315000000e-03 -7.5593000000e-03  3.2002000000e-03  9.7140000000e-04 -2.9320000000e-04
-
-JOB 23
-COORDS -3.9964800000e-01 -1.4861010000e+00  6.6781000000e-02  1.7727100000e-01 -1.7217190000e+00  7.9333500000e-01 -4.2348600000e-01 -5.2928700000e-01  7.9827000000e-02  3.5567400000e-01  1.3702690000e+00 -9.3515000000e-02 -2.4349500000e-01  2.0779710000e+00 -3.3097300000e-01  1.2154310000e+00  1.7886410000e+00 -4.8628000000e-02
-ENERGY -1.526601054051e+02
-FORCES  4.4251000000e-03  8.5891000000e-03  2.0409000000e-03 -1.5198000000e-03  4.1200000000e-05 -2.2109000000e-03 -4.5629000000e-03 -7.5094000000e-03  4.4940000000e-04  2.9622000000e-03  2.8161000000e-03 -1.2993000000e-03  3.0005000000e-03 -3.4815000000e-03  1.1751000000e-03 -4.3052000000e-03 -4.5560000000e-04 -1.5520000000e-04
-
-JOB 24
-COORDS -1.0302820000e+00 -5.9759000000e-02  1.1446860000e+00 -5.3678600000e-01 -8.7362400000e-01  1.0431080000e+00 -3.7400700000e-01  5.8856100000e-01  1.4000580000e+00  1.0224280000e+00  4.6568000000e-02 -1.1402260000e+00  8.0943900000e-01  7.6035200000e-01 -1.7413750000e+00  1.7330400000e-01 -2.6370900000e-01 -8.2566400000e-01
-ENERGY -1.526572421384e+02
-FORCES  6.6335000000e-03  5.9170000000e-04  3.8514000000e-03 -2.5822000000e-03  4.4150000000e-03 -4.1702000000e-03 -4.2694000000e-03 -2.7805000000e-03 -1.1100000000e-03 -7.3849000000e-03  2.5567000000e-03 -6.7050000000e-04  1.2254000000e-03 -2.5015000000e-03  2.4830000000e-03  6.3777000000e-03 -2.2814000000e-03 -3.8380000000e-04
-
-JOB 25
-COORDS  1.1656590000e+00 -6.3488800000e-01  5.6989500000e-01  1.9949420000e+00 -6.6418600000e-01  9.2754000000e-02  1.2750500000e+00 -1.2670450000e+00  1.2802780000e+00 -1.2794470000e+00  6.5330000000e-01 -6.0520000000e-01 -5.8892300000e-01  2.0513900000e-01 -1.1677400000e-01 -9.1496300000e-01  1.5170800000e+00 -7.9824400000e-01
-ENERGY -1.526612775780e+02
-FORCES  3.6600000000e-03 -2.8486000000e-03  9.4100000000e-05 -3.1563000000e-03 -1.8470000000e-04  3.1393000000e-03  4.3520000000e-04  2.7481000000e-03 -3.5771000000e-03  8.2235000000e-03 -1.1453000000e-03  3.4469000000e-03 -8.0563000000e-03  3.9637000000e-03 -3.1998000000e-03 -1.1060000000e-03 -2.5332000000e-03  9.6500000000e-05
-
-JOB 26
-COORDS -5.1942500000e-01  5.9619400000e-01  1.1989670000e+00 -1.1834570000e+00  1.2846790000e+00  1.2347730000e+00 -1.0514000000e-01  6.1724800000e-01  2.0616120000e+00  5.5377600000e-01 -6.5152100000e-01 -1.3203500000e+00  1.0219790000e+00 -8.9240700000e-01 -5.2098000000e-01 -2.5128200000e-01 -2.3625500000e-01 -1.0110480000e+00
-ENERGY -1.526577451270e+02
-FORCES  1.1850000000e-04  2.8287000000e-03  3.5397000000e-03  2.9623000000e-03 -3.4322000000e-03 -6.5780000000e-04 -1.8008000000e-03 -4.7700000000e-05 -3.8572000000e-03 -2.9498000000e-03  3.4064000000e-03  1.0131800000e-02  1.0897000000e-03 -1.2556000000e-03 -3.4785000000e-03  5.8010000000e-04 -1.4996000000e-03 -5.6781000000e-03
-
-JOB 27
-COORDS -8.9771400000e-01 -3.6045800000e-01 -1.2338270000e+00 -4.3732100000e-01 -8.0908000000e-02 -4.4254900000e-01 -2.0953000000e-01 -7.0558600000e-01 -1.8026170000e+00  7.9579100000e-01  3.5598600000e-01  1.1666200000e+00  1.1040990000e+00 -2.8719000000e-01  1.8049790000e+00  1.1555540000e+00  1.1887560000e+00  1.4720650000e+00
-ENERGY -1.526615714408e+02
-FORCES  7.0105000000e-03  1.3634000000e-03  5.0500000000e-03 -5.5302000000e-03 -2.4091000000e-03 -7.3822000000e-03 -2.2754000000e-03  7.6070000000e-04  1.4256000000e-03  2.3519000000e-03  9.9660000000e-04  4.0005000000e-03 -6.3650000000e-04  3.6865000000e-03 -2.6004000000e-03 -9.2030000000e-04 -4.3980000000e-03 -4.9350000000e-04
-
-JOB 28
-COORDS  8.4855800000e-01 -1.5124500000e-01 -1.2355700000e+00  1.3380750000e+00 -2.8639000000e-01 -4.2418800000e-01  1.3788160000e+00  4.6959000000e-01 -1.7351920000e+00 -8.9376800000e-01  9.8870000000e-02  1.2789000000e+00 -8.5564400000e-01 -3.8440800000e-01  4.5353900000e-01 -1.2009980000e+00  9.7122300000e-01  1.0322370000e+00
-ENERGY -1.526587045164e+02
-FORCES  4.8249000000e-03  2.8526000000e-03  1.9929000000e-03 -2.7986000000e-03 -2.6940000000e-04 -4.8432000000e-03 -1.8451000000e-03 -2.3637000000e-03  2.5252000000e-03 -9.3780000000e-04  2.4254000000e-03 -8.2245000000e-03  2.6400000000e-05  5.2000000000e-06  6.4187000000e-03  7.3010000000e-04 -2.6501000000e-03  2.1307000000e-03
-
-JOB 29
-COORDS  1.4575000000e-01  1.1560580000e+00 -1.0778740000e+00 -5.8172900000e-01  7.3520600000e-01 -1.5360110000e+00  3.3696000000e-02  8.9923300000e-01 -1.6260500000e-01 -1.0667600000e-01 -1.0601710000e+00  1.0229390000e+00  7.1359500000e-01 -1.4965620000e+00  1.2530480000e+00 -7.8987900000e-01 -1.6475820000e+00  1.3460720000e+00
-ENERGY -1.526591675362e+02
-FORCES -3.7879000000e-03 -7.2074000000e-03  4.8142000000e-03  1.9553000000e-03  2.3352000000e-03  1.8210000000e-04  1.3514000000e-03  5.8280000000e-03 -4.5238000000e-03  1.4306000000e-03 -4.6894000000e-03  1.6282000000e-03 -4.2122000000e-03  1.5598000000e-03 -3.2680000000e-04  3.2629000000e-03  2.1738000000e-03 -1.7739000000e-03
-
-JOB 30
-COORDS -5.7502600000e-01 -7.2437100000e-01  1.2833670000e+00  1.9024400000e-01 -8.9961100000e-01  1.8309840000e+00 -2.4689200000e-01 -1.5472300000e-01  5.8762200000e-01  4.6299600000e-01  6.9323900000e-01 -1.2713320000e+00  9.1934500000e-01  1.5173990000e+00 -1.1018120000e+00  1.1476000000e+00  9.8405000000e-02 -1.5774720000e+00
-ENERGY -1.526603094301e+02
-FORCES  4.2993000000e-03  3.7624000000e-03 -4.9730000000e-03 -2.1447000000e-03  7.3070000000e-04 -2.3148000000e-03 -2.0940000000e-03 -4.5815000000e-03  9.2393000000e-03  4.9878000000e-03  1.5507000000e-03 -4.6157000000e-03 -2.0141000000e-03 -4.7995000000e-03  1.4750000000e-04 -3.0343000000e-03  3.3372000000e-03  2.5168000000e-03
-
-JOB 31
-COORDS  2.1252700000e-01  1.0247740000e+00  1.1385470000e+00  1.1607080000e+00  9.3634400000e-01  1.2353150000e+00 -1.5071100000e-01  3.3357800000e-01  1.6922050000e+00 -2.0754300000e-01 -1.0144510000e+00 -1.2089890000e+00  2.9553000000e-02 -2.8830000000e-01 -6.3216800000e-01 -1.1627390000e+00 -9.7874600000e-01 -1.2595600000e+00
-ENERGY -1.526601633085e+02
-FORCES  2.7964000000e-03 -1.0960000000e-03  6.7104000000e-03 -5.2256000000e-03 -4.4720000000e-04 -1.6826000000e-03  1.6533000000e-03  3.1204000000e-03 -4.3000000000e-03 -2.5194000000e-03  7.0536000000e-03  3.8659000000e-03  1.7090000000e-04 -7.8639000000e-03 -5.1430000000e-03  3.1245000000e-03 -7.6680000000e-04  5.4930000000e-04
-
-JOB 32
-COORDS -8.5164500000e-01 -6.9648600000e-01 -1.1832750000e+00 -1.3650830000e+00 -1.2497630000e+00 -5.9463500000e-01 -3.7398200000e-01 -1.0539900000e-01 -6.0130700000e-01  8.2295400000e-01  7.4465400000e-01  1.0750120000e+00  1.5226940000e+00  1.3433300000e-01  8.4241100000e-01  5.8970200000e-01  5.1118100000e-01  1.9735200000e+00
-ENERGY -1.526598723364e+02
-FORCES  7.3370000000e-04  3.2846000000e-03  7.4356000000e-03  1.7883000000e-03  1.3219000000e-03 -2.0278000000e-03 -2.3110000000e-03 -5.8030000000e-03 -6.9205000000e-03  3.7895000000e-03 -2.0000000000e-03  5.5682000000e-03 -5.2329000000e-03  2.6131000000e-03  3.6530000000e-04  1.2325000000e-03  5.8340000000e-04 -4.4207000000e-03
-
-JOB 33
-COORDS -3.5713900000e-01  1.1037490000e+00  9.9381500000e-01  6.2227000000e-02  9.5199200000e-01  1.8407710000e+00 -2.7430000000e-03  1.9420350000e+00  6.9731600000e-01  3.3866200000e-01 -1.1683750000e+00 -9.8148100000e-01 -2.9192500000e-01 -4.4824600000e-01 -9.8388200000e-01  4.3239500000e-01 -1.4083640000e+00 -1.9033550000e+00
-ENERGY -1.526570200079e+02
-FORCES  5.1027000000e-03  1.0129000000e-03  3.9349000000e-03 -2.1237000000e-03  2.0856000000e-03 -2.8847000000e-03 -1.8612000000e-03 -3.7006000000e-03  4.8930000000e-04 -3.3809000000e-03  3.6856000000e-03 -5.1340000000e-04  2.5816000000e-03 -4.8949000000e-03 -4.7665000000e-03 -3.1840000000e-04  1.8114000000e-03  3.7404000000e-03
-
-JOB 34
-COORDS -1.2383430000e+00  4.2146900000e-01  9.6279100000e-01 -4.6091300000e-01  9.7973600000e-01  9.7591300000e-01 -9.0648200000e-01 -4.4678100000e-01  7.3422400000e-01  1.1360530000e+00 -4.4387500000e-01 -9.2907100000e-01  1.6585770000e+00  1.9083300000e-01 -4.3881800000e-01  1.4749830000e+00 -3.9443000000e-01 -1.8228910000e+00
-ENERGY -1.526556723733e+02
-FORCES  6.3516000000e-03 -2.8552000000e-03 -4.8499000000e-03 -1.7906000000e-03 -6.9260000000e-04  1.2304000000e-03 -3.2302000000e-03  3.0255000000e-03  4.0003000000e-03  3.4567000000e-03  2.7962000000e-03 -3.5857000000e-03 -3.7649000000e-03 -2.2827000000e-03 -8.8580000000e-04 -1.0226000000e-03  8.8000000000e-06  4.0906000000e-03
-
-JOB 35
-COORDS  1.5793300000e-01 -1.3949570000e+00 -6.9785400000e-01 -5.1438100000e-01 -2.0355120000e+00 -4.6565800000e-01 -2.7627300000e-01 -8.0339600000e-01 -1.3124700000e+00 -1.1398800000e-01  1.4234820000e+00  6.5988600000e-01 -2.4421000000e-02  1.8412440000e+00  1.5164400000e+00  1.1767900000e-01  5.0764200000e-01  8.1415300000e-01
-ENERGY -1.526598347123e+02
-FORCES -4.7414000000e-03 -1.0102000000e-03 -4.8887000000e-03  2.9694000000e-03  3.2517000000e-03 -3.8880000000e-04  2.0463000000e-03 -3.8151000000e-03  3.4620000000e-03  2.4190000000e-03 -3.8845000000e-03  2.7772000000e-03 -2.6640000000e-04 -2.3936000000e-03 -2.9219000000e-03 -2.4269000000e-03  7.8518000000e-03  1.9602000000e-03
-
-JOB 36
-COORDS  1.2631740000e+00 -1.0312420000e+00 -6.8843000000e-02  8.4229100000e-01 -1.8186100000e-01 -2.0165800000e-01  2.0155790000e+00 -8.4124000000e-01  4.9153000000e-01 -1.2361410000e+00  9.2448600000e-01  3.6902000000e-02 -2.0220960000e+00  1.1833910000e+00 -4.4421800000e-01 -1.1398370000e+00  1.5919360000e+00  7.1621600000e-01
-ENERGY -1.526579659848e+02
-FORCES -2.3145000000e-03  5.1179000000e-03  1.0219000000e-03  7.2351000000e-03 -4.3982000000e-03  7.7780000000e-04 -3.0661000000e-03 -2.2120000000e-04 -1.7357000000e-03 -5.5160000000e-03  3.0754000000e-03  5.3290000000e-04  3.1456000000e-03 -5.7530000000e-04  2.8417000000e-03  5.1580000000e-04 -2.9985000000e-03 -3.4385000000e-03
-
-JOB 37
-COORDS -5.9590400000e-01  1.4542130000e+00  2.4681700000e-01 -1.1613350000e+00  2.2068120000e+00  4.2035500000e-01  1.6390800000e-01  1.5892560000e+00  8.1310300000e-01  6.3095900000e-01 -1.5407940000e+00 -2.8526300000e-01 -2.9831200000e-01 -1.7333840000e+00 -1.6037800000e-01  6.6135200000e-01 -5.9724400000e-01 -4.4344500000e-01
-ENERGY -1.526580672708e+02
-FORCES -7.0420000000e-04  5.2312000000e-03  3.5175000000e-03  2.6334000000e-03 -3.1466000000e-03 -6.5800000000e-05 -3.0336000000e-03 -1.3567000000e-03 -3.8624000000e-03 -6.1537000000e-03  5.1019000000e-03 -5.8960000000e-04  3.6691000000e-03 -1.3201000000e-03 -4.2190000000e-04  3.5891000000e-03 -4.5097000000e-03  1.4222000000e-03
-
-JOB 38
-COORDS  1.1131550000e+00 -1.0304440000e+00 -7.4040400000e-01  6.1669800000e-01 -4.2479900000e-01 -1.8999000000e-01  6.4340300000e-01 -1.0368730000e+00 -1.5743840000e+00 -1.0501680000e+00  1.0141080000e+00  6.9751400000e-01 -1.6499930000e+00  3.5548300000e-01  1.0477340000e+00 -5.6528700000e-01  1.3273150000e+00  1.4610740000e+00
-ENERGY -1.526597662881e+02
-FORCES -5.9739000000e-03  5.3027000000e-03 -6.6800000000e-04  5.8322000000e-03 -6.0777000000e-03 -1.7647000000e-03  1.9018000000e-03 -8.7670000000e-04  2.5456000000e-03 -3.8493000000e-03  1.4964000000e-03  6.1362000000e-03  3.7873000000e-03  2.7988000000e-03 -2.0542000000e-03 -1.6980000000e-03 -2.6434000000e-03 -4.1950000000e-03
-
-JOB 39
-COORDS  2.1869400000e-01  6.0969800000e-01  1.6077210000e+00 -4.1589500000e-01  1.7945400000e-01  1.0346430000e+00 -3.1374400000e-01  1.0265390000e+00  2.2852060000e+00 -9.9950000000e-02 -6.4812300000e-01 -1.6179160000e+00 -8.3911800000e-01 -6.0754100000e-01 -1.0111090000e+00 -2.6120700000e-01  6.0978000000e-02 -2.2403350000e+00
-ENERGY -1.526513778645e+02
-FORCES -3.7592000000e-03 -5.4460000000e-04  2.0020000000e-04  8.9400000000e-05  1.3433000000e-03  1.4881000000e-03  2.3494000000e-03 -1.7511000000e-03 -3.3728000000e-03 -2.9728000000e-03  3.7124000000e-03 -1.6480000000e-03  3.8294000000e-03  7.9280000000e-04  8.0090000000e-04  4.6380000000e-04 -3.5528000000e-03  2.5316000000e-03
-
-JOB 40
-COORDS  6.3416400000e-01  1.0633540000e+00 -1.1359230000e+00  1.3804960000e+00  1.6624830000e+00 -1.1521770000e+00 -7.2582000000e-02  1.5487820000e+00 -1.5614830000e+00 -6.4116800000e-01 -1.0675200000e+00  1.1919130000e+00  1.1195800000e-01 -1.3246570000e+00  6.6001700000e-01 -1.2308800000e+00 -1.8204760000e+00  1.1528110000e+00
-ENERGY -1.526550986879e+02
-FORCES -1.3444000000e-03  5.2854000000e-03 -1.1116000000e-03 -2.9755000000e-03 -2.7244000000e-03  8.8000000000e-05  3.4380000000e-03 -1.6811000000e-03  9.3440000000e-04  2.1370000000e-03 -2.6713000000e-03 -3.8226000000e-03 -3.3166000000e-03 -1.4246000000e-03  3.9746000000e-03  2.0615000000e-03  3.2161000000e-03 -6.2800000000e-05
-
-JOB 41
-COORDS -1.4904380000e+00  6.0886100000e-01  4.9873900000e-01 -2.1598300000e+00  1.1793110000e+00  1.2093800000e-01 -1.2849570000e+00  1.0073800000e+00  1.3444300000e+00  1.5665400000e+00 -7.0253900000e-01 -5.5930500000e-01  1.7040250000e+00 -2.9212700000e-01  2.9444700000e-01  6.5699100000e-01 -5.0073100000e-01 -7.7891200000e-01
-ENERGY -1.526578611493e+02
-FORCES -3.7209000000e-03  4.5974000000e-03  2.7369000000e-03  2.9844000000e-03 -2.4570000000e-03  1.8534000000e-03 -4.0380000000e-04 -1.6889000000e-03 -3.8598000000e-03 -5.7986000000e-03  3.1320000000e-03  3.1862000000e-03  8.0370000000e-04 -1.4927000000e-03 -2.5141000000e-03  6.1353000000e-03 -2.0907000000e-03 -1.4026000000e-03
-
-JOB 42
-COORDS  1.2893400000e-01  3.4881400000e-01  1.7392970000e+00  6.6533000000e-01 -1.4297500000e-01  1.1174810000e+00 -5.5932400000e-01 -2.6350600000e-01  1.9992910000e+00 -1.6594600000e-01 -2.3264500000e-01 -1.7317740000e+00 -3.4094200000e-01 -1.1269440000e+00 -1.4387920000e+00  7.8714700000e-01 -1.8718400000e-01 -1.8077930000e+00
-ENERGY -1.526526032842e+02
-FORCES -1.8702000000e-03 -3.7037000000e-03 -3.6815000000e-03 -6.2880000000e-04  7.6460000000e-04  3.4414000000e-03  2.9977000000e-03  2.0489000000e-03 -7.4360000000e-04  2.3847000000e-03 -2.5634000000e-03 -6.9430000000e-04  1.2644000000e-03  4.0630000000e-03  6.9100000000e-05 -4.1479000000e-03 -6.0950000000e-04  1.6089000000e-03
-
-JOB 43
-COORDS -8.1395300000e-01  1.1461520000e+00  1.1449120000e+00 -6.3488000000e-02  1.7143340000e+00  1.3186970000e+00 -5.6400300000e-01  6.5015700000e-01  3.6533200000e-01  7.4404900000e-01 -1.0874220000e+00 -1.0902570000e+00  6.7061400000e-01 -1.5070850000e+00 -1.9474160000e+00  9.6325300000e-01 -1.8013410000e+00 -4.9150700000e-01
-ENERGY -1.526592062991e+02
-FORCES  4.6861000000e-03 -7.4110000000e-04 -4.2816000000e-03 -2.8195000000e-03 -1.8367000000e-03 -9.1300000000e-05 -3.0001000000e-03  4.2082000000e-03  5.8485000000e-03  1.3945000000e-03 -6.1807000000e-03 -2.3766000000e-03  6.8540000000e-04  1.3271000000e-03  3.8635000000e-03 -9.4640000000e-04  3.2232000000e-03 -2.9626000000e-03
-
-JOB 44
-COORDS  3.5914200000e-01 -2.6906800000e-01  1.6702650000e+00  4.9140100000e-01 -4.1288600000e-01  2.6073110000e+00 -5.8574700000e-01 -3.5694500000e-01  1.5449940000e+00 -3.6402200000e-01  2.3211500000e-01 -1.7380000000e+00  7.7647000000e-02  3.3869500000e-01 -8.9550300000e-01 -3.9578000000e-02  9.5692000000e-01 -2.2724390000e+00
-ENERGY -1.526578713127e+02
-FORCES -2.7814000000e-03 -2.0076000000e-03  5.5285000000e-03 -1.1204000000e-03  4.2130000000e-04 -3.6561000000e-03  5.0247000000e-03  1.2011000000e-03 -1.1180000000e-04  4.5684000000e-03  3.1102000000e-03  1.7849000000e-03 -4.4165000000e-03  3.7000000000e-05 -5.4269000000e-03 -1.2748000000e-03 -2.7620000000e-03  1.8814000000e-03
-
-JOB 45
-COORDS  6.6300000000e-01 -1.3756910000e+00 -7.8574800000e-01  1.3965570000e+00 -1.9456750000e+00 -1.0164940000e+00 -9.3838000000e-02 -1.7719010000e+00 -1.2175400000e+00 -6.5967900000e-01  1.4625600000e+00  8.6560400000e-01  1.3398800000e-01  1.1047930000e+00  4.6770100000e-01 -1.3754850000e+00  1.0862710000e+00  3.5349200000e-01
-ENERGY -1.526572613099e+02
-FORCES  5.5540000000e-04 -5.5651000000e-03 -2.8315000000e-03 -3.3644000000e-03  2.2421000000e-03  7.9310000000e-04  3.0557000000e-03  2.1039000000e-03  1.7926000000e-03  1.6981000000e-03 -5.1417000000e-03 -4.3800000000e-03 -3.4409000000e-03  4.4973000000e-03  2.6921000000e-03  1.4962000000e-03  1.8636000000e-03  1.9337000000e-03
-
-JOB 46
-COORDS  1.5230950000e+00  9.7052500000e-01 -3.5771500000e-01  7.6249400000e-01  1.3355980000e+00 -8.0986600000e-01  1.1784590000e+00  2.1720700000e-01  1.2183700000e-01 -1.4130020000e+00 -9.7684900000e-01  3.9576100000e-01 -1.6330510000e+00 -1.2081000000e+00 -5.0664300000e-01 -1.9944280000e+00 -2.4575500000e-01  6.0475000000e-01
-ENERGY -1.526572925977e+02
-FORCES -5.8234000000e-03 -3.0998000000e-03  1.1104000000e-03  2.8708000000e-03 -4.7510000000e-04  9.7270000000e-04  4.1319000000e-03  4.2700000000e-03 -2.4075000000e-03 -5.8578000000e-03  4.2250000000e-04 -2.1793000000e-03  1.4808000000e-03  1.7888000000e-03  4.0007000000e-03  3.1978000000e-03 -2.9063000000e-03 -1.4970000000e-03
-
-JOB 47
-COORDS -1.0981640000e+00 -4.8118700000e-01 -1.3444400000e+00 -1.2271440000e+00  4.5787900000e-01 -1.2112010000e+00 -1.7915000000e+00 -8.9408200000e-01 -8.2962500000e-01  1.2164510000e+00  4.5855700000e-01  1.3000900000e+00  6.0084800000e-01  9.8832700000e-01  1.8066560000e+00  6.7506600000e-01 -2.2246600000e-01  9.0091400000e-01
-ENERGY -1.526558540972e+02
-FORCES -4.6942000000e-03  2.8440000000e-03 -5.0500000000e-04  3.3020000000e-04 -4.7427000000e-03  3.7220000000e-04  4.1316000000e-03  2.0335000000e-03 -1.1415000000e-03 -4.3662000000e-03 -1.8396000000e-03 -7.9030000000e-04  1.9954000000e-03 -1.8963000000e-03 -2.4388000000e-03  2.6032000000e-03  3.6011000000e-03  4.5034000000e-03
-
-JOB 48
-COORDS -1.1623730000e+00  3.2279800000e-01  1.4319500000e+00 -1.3138910000e+00  5.2778000000e-02  5.2621100000e-01 -5.2543400000e-01 -3.0822200000e-01  1.7671420000e+00  1.0923560000e+00 -2.4327200000e-01 -1.3446160000e+00  1.4175190000e+00 -1.1288820000e+00 -1.5064630000e+00  1.4021490000e+00  2.6664900000e-01 -2.0931080000e+00
-ENERGY -1.526561886176e+02
-FORCES  4.1622000000e-03 -3.2874000000e-03 -4.4295000000e-03 -1.9636000000e-03  7.8670000000e-04  4.8270000000e-03 -3.0399000000e-03  1.8465000000e-03  2.4200000000e-05  3.8707000000e-03 -4.5690000000e-04 -4.5719000000e-03 -1.7963000000e-03  3.6967000000e-03  1.1539000000e-03 -1.2331000000e-03 -2.5855000000e-03  2.9962000000e-03
-
-JOB 49
-COORDS  1.6093200000e-01  1.0490210000e+00  1.5340440000e+00 -4.3216200000e-01  1.7964210000e+00  1.4574680000e+00  1.5354500000e-01  6.4681500000e-01  6.6547700000e-01 -7.3824000000e-02 -1.1080610000e+00 -1.4517220000e+00 -2.5428000000e-02 -2.5957400000e-01 -1.8921300000e+00 -1.0055780000e+00 -1.3272770000e+00 -1.4548520000e+00
-ENERGY -1.526559485771e+02
-FORCES -1.8211000000e-03 -4.1440000000e-04 -4.0621000000e-03  2.2047000000e-03 -3.0787000000e-03 -1.7490000000e-04 -4.1170000000e-04  5.2500000000e-03  4.5010000000e-03 -4.0177000000e-03 -4.6370000000e-04 -4.6305000000e-03 -3.3900000000e-04 -2.9591000000e-03  4.2614000000e-03  4.3849000000e-03  1.6660000000e-03  1.0510000000e-04
-
-JOB 50
-COORDS  1.0156990000e+00  1.5314820000e+00  1.2593900000e-01  1.8765900000e+00  1.9265770000e+00 -1.1895000000e-02  4.4951100000e-01  2.2662010000e+00  3.6226700000e-01 -1.0287210000e+00 -1.6347480000e+00 -7.7093000000e-02 -1.0254690000e+00 -7.0033600000e-01 -2.8468500000e-01 -1.1761870000e+00 -2.0669670000e+00 -9.1832600000e-01
-ENERGY -1.526555087294e+02
-FORCES  3.1030000000e-03  4.8665000000e-03  1.0768000000e-03 -3.7456000000e-03 -1.2113000000e-03  6.3040000000e-04  1.8229000000e-03 -3.6180000000e-03 -1.4723000000e-03  1.1132000000e-03  3.3145000000e-03 -4.0804000000e-03 -2.7366000000e-03 -4.8269000000e-03  6.0820000000e-04  4.4320000000e-04  1.4751000000e-03  3.2373000000e-03
-
-JOB 51
-COORDS  1.0601800000e+00  1.9152000000e-01  1.6580120000e+00  1.3895020000e+00 -7.0528500000e-01  1.5986760000e+00  5.9153900000e-01  3.3003300000e-01  8.3495600000e-01 -1.0741180000e+00 -8.9161000000e-02 -1.5675800000e+00 -1.3008050000e+00 -1.0091290000e+00 -1.4315510000e+00 -4.5976000000e-01 -9.9369000000e-02 -2.3015360000e+00
-ENERGY -1.526569022021e+02
-FORCES -1.7366000000e-03 -2.3905000000e-03 -4.4867000000e-03 -1.1744000000e-03  3.1858000000e-03  2.3790000000e-04  4.0988000000e-03 -8.5750000000e-04  5.4401000000e-03 -6.6020000000e-04 -3.9655000000e-03 -4.9432000000e-03  1.8288000000e-03  4.1571000000e-03 -1.5390000000e-04 -2.3563000000e-03 -1.2940000000e-04  3.9057000000e-03
-
-JOB 52
-COORDS  1.6407090000e+00  9.3259400000e-01  4.9974100000e-01  2.2369220000e+00  1.8686200000e-01  4.3157700000e-01  1.2266410000e+00  9.8830600000e-01 -3.6146600000e-01 -1.6991360000e+00 -8.4839200000e-01 -4.8268000000e-01 -1.1637210000e+00 -6.6627400000e-01  2.8958700000e-01 -1.4881160000e+00 -1.7531690000e+00 -7.1307000000e-01
-ENERGY -1.526562742617e+02
-FORCES  2.0144000000e-03 -1.3451000000e-03 -4.7659000000e-03 -3.0457000000e-03  2.7100000000e-03  5.3010000000e-04  2.1071000000e-03 -6.7390000000e-04  4.6273000000e-03  2.1685000000e-03 -3.0550000000e-03  3.4404000000e-03 -2.7732000000e-03 -1.4663000000e-03 -4.5702000000e-03 -4.7110000000e-04  3.8302000000e-03  7.3820000000e-04
-
-JOB 53
-COORDS  1.8116750000e+00 -3.5647500000e-01 -3.5998200000e-01  2.1686760000e+00  2.5449600000e-01  2.8460800000e-01  2.4605460000e+00 -1.0583670000e+00 -4.1044400000e-01 -1.9344940000e+00  3.6446100000e-01  3.5503600000e-01 -1.4506440000e+00 -3.9258900000e-01  2.4890000000e-02 -1.3297420000e+00  1.0992600000e+00  2.5218700000e-01
-ENERGY -1.526566601689e+02
-FORCES  5.5729000000e-03 -8.2400000000e-04  2.2962000000e-03 -1.9191000000e-03 -2.3678000000e-03 -2.8685000000e-03 -2.6607000000e-03  3.0556000000e-03  3.2870000000e-04  5.9388000000e-03 -7.0130000000e-04 -2.6251000000e-03 -3.9728000000e-03  2.6557000000e-03  1.7247000000e-03 -2.9591000000e-03 -1.8181000000e-03  1.1440000000e-03
-
-JOB 54
-COORDS  3.3140600000e-01  9.9155600000e-01 -1.6606110000e+00  9.8505400000e-01  6.8947100000e-01 -1.0299610000e+00  3.4456000000e-02  1.8329530000e+00 -1.3140510000e+00 -3.5658500000e-01 -9.9470500000e-01  1.6747410000e+00 -5.3508800000e-01 -4.8100500000e-01  8.8703500000e-01 -7.3107000000e-02 -1.8477480000e+00  1.3458170000e+00
-ENERGY -1.526558539843e+02
-FORCES  3.0817000000e-03  4.1189000000e-03  2.1901000000e-03 -4.4796000000e-03  3.7180000000e-04 -2.3539000000e-03  9.5880000000e-04 -4.2854000000e-03 -1.1806000000e-03 -1.0619000000e-03 -2.2132000000e-03 -4.9141000000e-03  2.1884000000e-03 -1.6730000000e-03  4.7296000000e-03 -6.8750000000e-04  3.6809000000e-03  1.5289000000e-03
-
-JOB 55
-COORDS  8.3699600000e-01  1.4176050000e+00  1.1116660000e+00  1.3792400000e-01  8.0146400000e-01  8.9280900000e-01  4.7248100000e-01  1.9539200000e+00  1.8157450000e+00 -7.5737400000e-01 -1.3697330000e+00 -1.1038260000e+00 -1.4759460000e+00 -1.9555350000e+00 -8.6566200000e-01 -5.0465600000e-01 -1.6457720000e+00 -1.9848300000e+00
-ENERGY -1.526564121181e+02
-FORCES -4.5839000000e-03 -1.4811000000e-03  6.7830000000e-04  3.1310000000e-03  4.3878000000e-03  3.1799000000e-03  1.3399000000e-03 -2.1037000000e-03 -2.6517000000e-03 -1.2358000000e-03 -4.1691000000e-03 -4.0930000000e-03  2.9527000000e-03  2.7207000000e-03 -7.4880000000e-04 -1.6039000000e-03  6.4560000000e-04  3.6354000000e-03
-
-JOB 56
-COORDS  1.0783710000e+00 -1.0314400000e-01 -1.7270810000e+00  7.0407600000e-01 -7.7706700000e-01 -2.2944970000e+00  3.8995100000e-01  5.5779500000e-01 -1.6531200000e+00 -9.6904600000e-01  1.4165400000e-01  1.7813330000e+00 -1.8927960000e+00  1.9185000000e-01  2.0270950000e+00 -9.3973700000e-01 -5.2221200000e-01  1.0923810000e+00
-ENERGY -1.526545298410e+02
-FORCES -3.3209000000e-03  1.1896000000e-03 -2.6921000000e-03  1.1728000000e-03  2.6207000000e-03  2.9935000000e-03  2.5692000000e-03 -3.7309000000e-03 -6.1420000000e-04 -2.8438000000e-03 -3.2262000000e-03 -1.2121000000e-03  3.8486000000e-03 -1.0720000000e-04 -1.3312000000e-03 -1.4259000000e-03  3.2541000000e-03  2.8560000000e-03
-
-JOB 57
-COORDS  2.0011950000e+00 -2.1178200000e-01 -1.6275500000e-01  2.4028440000e+00 -1.7257200000e-01  7.0521500000e-01  2.6271260000e+00 -7.0300200000e-01 -6.9486900000e-01 -2.0777820000e+00  1.7624200000e-01  1.5801600000e-01 -2.1966560000e+00  5.6524300000e-01 -7.0845900000e-01 -1.7226220000e+00  8.8604100000e-01  6.9306700000e-01
-ENERGY -1.526538379943e+02
-FORCES  3.9176000000e-03 -2.7290000000e-03  1.4486000000e-03 -1.6420000000e-03  2.3800000000e-04 -3.5383000000e-03 -2.4766000000e-03  2.1841000000e-03  2.1140000000e-03  2.8267000000e-03  4.2854000000e-03 -1.8738000000e-03 -3.5480000000e-04 -1.4435000000e-03  3.3944000000e-03 -2.2709000000e-03 -2.5351000000e-03 -1.5448000000e-03
-
-JOB 58
-COORDS  1.6715600000e+00  1.2453430000e+00  5.2676700000e-01  7.9308200000e-01  1.4319520000e+00  1.9557800000e-01  2.2344960000e+00  1.2930550000e+00 -2.4592900000e-01 -1.6202710000e+00 -1.2117660000e+00 -5.0101600000e-01 -2.1814330000e+00 -1.0224010000e+00  2.5096100000e-01 -1.6342320000e+00 -2.1658710000e+00 -5.7665200000e-01
-ENERGY -1.526551309724e+02
-FORCES -2.1423000000e-03 -1.2790000000e-04 -5.1452000000e-03  4.0125000000e-03  6.0010000000e-04  1.9882000000e-03 -1.8078000000e-03  8.0400000000e-05  3.1521000000e-03 -2.0346000000e-03 -4.0118000000e-03  3.0971000000e-03  2.2567000000e-03 -4.1110000000e-04 -3.2824000000e-03 -2.8450000000e-04  3.8702000000e-03  1.9030000000e-04
-
-JOB 59
-COORDS -4.6580800000e-01  1.4226920000e+00 -1.4843800000e+00 -7.0756000000e-01  2.2859460000e+00 -1.8199090000e+00 -7.5270000000e-02  9.7438700000e-01 -2.2345370000e+00  4.8215100000e-01 -1.4990320000e+00  1.5485530000e+00 -1.1446000000e-02 -1.1468470000e+00  8.0790500000e-01  5.0048900000e-01 -7.8515000000e-01  2.1859450000e+00
-ENERGY -1.526561641574e+02
-FORCES  5.9150000000e-04  2.6069000000e-03 -5.0413000000e-03  1.0940000000e-03 -3.5880000000e-03  1.1969000000e-03 -1.8230000000e-03  1.6918000000e-03  3.3570000000e-03 -2.2565000000e-03  5.3712000000e-03 -9.8070000000e-04  2.2866000000e-03 -2.9285000000e-03  3.3568000000e-03  1.0730000000e-04 -3.1534000000e-03 -1.8887000000e-03
-
-JOB 60
-COORDS -1.1015890000e+00  8.5192300000e-01  1.6199050000e+00 -1.2133150000e+00  1.5676040000e+00  2.2456440000e+00 -1.7162760000e+00  1.7907700000e-01  1.9126000000e+00  1.0874760000e+00 -8.7128800000e-01 -1.6430360000e+00  1.7048540000e+00 -1.8218700000e-01 -1.3976470000e+00  1.4679600000e+00 -1.2661380000e+00 -2.4276100000e+00
-ENERGY -1.526537434668e+02
-FORCES -3.3035000000e-03 -5.9080000000e-04  3.3822000000e-03  6.7900000000e-04 -2.8346000000e-03 -2.6764000000e-03  2.3448000000e-03  3.0927000000e-03 -7.5070000000e-04  3.8709000000e-03  1.9755000000e-03 -1.4933000000e-03 -1.9106000000e-03 -3.1475000000e-03 -1.6713000000e-03 -1.6805000000e-03  1.5046000000e-03  3.2096000000e-03
-
-JOB 61
-COORDS  1.7680100000e+00  5.9824100000e-01 -1.1319580000e+00  2.5228160000e+00  2.9713300000e-01 -1.6377590000e+00  1.8278070000e+00  1.2093000000e-01 -3.0441300000e-01 -1.8490130000e+00 -5.1507000000e-01  1.1474780000e+00 -2.1372620000e+00 -1.2161850000e+00  5.6302800000e-01 -8.9374600000e-01 -5.3131900000e-01  1.0888810000e+00
-ENERGY -1.526533420312e+02
-FORCES  4.3167000000e-03 -2.5762000000e-03  8.1700000000e-04 -3.3019000000e-03  1.2650000000e-03  2.1651000000e-03 -1.5433000000e-03  1.4421000000e-03 -3.0993000000e-03  2.5418000000e-03 -2.3961000000e-03 -3.5968000000e-03  1.1044000000e-03  2.6221000000e-03  2.7645000000e-03 -3.1177000000e-03 -3.5700000000e-04  9.4950000000e-04
-
-JOB 62
-COORDS -1.4661480000e+00 -1.2650080000e+00  1.0184980000e+00 -1.6184380000e+00 -2.0281950000e+00  4.6119600000e-01 -2.2677960000e+00 -7.4767500000e-01  9.4129800000e-01  1.5454520000e+00  1.3090080000e+00 -9.3878700000e-01  8.8138900000e-01  6.2888500000e-01 -8.2616400000e-01  1.6158070000e+00  1.4210880000e+00 -1.8867960000e+00
-ENERGY -1.526552317732e+02
-FORCES -4.9493000000e-03 -1.6926000000e-03 -1.1312000000e-03  9.6550000000e-04  3.6382000000e-03  1.9258000000e-03  3.6360000000e-03 -2.2347000000e-03 -9.8400000000e-05 -2.6652000000e-03 -2.8364000000e-03 -2.4516000000e-03  3.3950000000e-03  3.5955000000e-03 -1.9509000000e-03 -3.8200000000e-04 -4.7000000000e-04  3.7063000000e-03
-
-JOB 63
-COORDS  8.4977000000e-01 -1.5549540000e+00 -1.3524200000e+00  1.7994700000e-01 -1.2157210000e+00 -1.9461290000e+00  3.7252400000e-01 -2.1334820000e+00 -7.5763200000e-01 -7.4143900000e-01  1.5516640000e+00  1.3100560000e+00 -7.0121900000e-01  1.3766130000e+00  2.2502530000e+00 -1.5594220000e+00  2.0342180000e+00  1.1905660000e+00
-ENERGY -1.526536916320e+02
-FORCES -5.1082000000e-03  3.3880000000e-04  8.7250000000e-04  2.7203000000e-03 -1.9156000000e-03  1.7275000000e-03  2.0625000000e-03  1.6117000000e-03 -2.5884000000e-03 -2.6396000000e-03  1.5665000000e-03  3.6589000000e-03 -3.6560000000e-04  6.2100000000e-04 -3.9175000000e-03  3.3306000000e-03 -2.2224000000e-03  2.4700000000e-04
-
-JOB 64
-COORDS -1.3722900000e-01  1.2114510000e+00 -1.9698290000e+00  6.1216600000e-01  7.4021100000e-01 -1.6057240000e+00 -7.9923800000e-01  1.1797720000e+00 -1.2791980000e+00  6.7904000000e-02 -1.1838470000e+00  1.9027110000e+00  6.6420200000e-01 -4.3523300000e-01  1.9180830000e+00  6.2066000000e-01 -1.9353910000e+00  2.1168920000e+00
-ENERGY -1.526547081541e+02
-FORCES -3.1470000000e-04 -2.9283000000e-03  4.3726000000e-03 -2.4212000000e-03  2.4613000000e-03 -1.4339000000e-03  2.9683000000e-03  9.1320000000e-04 -3.0258000000e-03  4.7054000000e-03 -8.5720000000e-04  2.1665000000e-03 -2.7107000000e-03 -2.9239000000e-03 -1.1051000000e-03 -2.2271000000e-03  3.3350000000e-03 -9.7420000000e-04
-
-JOB 65
-COORDS  6.7824700000e-01  2.1261850000e+00 -3.6209900000e-01  1.5490790000e+00  2.1318980000e+00 -7.5940300000e-01  8.2066000000e-02  1.9631430000e+00 -1.0930000000e+00 -7.0272300000e-01 -2.0783420000e+00  3.7940300000e-01 -5.3879200000e-01 -1.7820990000e+00  1.2747230000e+00 -7.7549900000e-01 -3.0300780000e+00  4.5106400000e-01
-ENERGY -1.526547388110e+02
-FORCES  8.1020000000e-04 -1.5031000000e-03 -4.9125000000e-03 -3.3576000000e-03  2.4990000000e-04  1.6745000000e-03  2.5617000000e-03  1.4574000000e-03  2.8493000000e-03  5.5310000000e-04 -2.1124000000e-03  4.3618000000e-03 -9.0810000000e-04 -1.9510000000e-03 -3.5876000000e-03  3.4070000000e-04  3.8592000000e-03 -3.8540000000e-04
-
-JOB 66
-COORDS -1.8563000000e+00  1.3947200000e+00  5.8996900000e-01 -1.6882760000e+00  1.9018550000e+00 -2.0426900000e-01 -2.7300260000e+00  1.0263240000e+00  4.5913000000e-01  1.8654610000e+00 -1.3679530000e+00 -5.9803400000e-01  2.4954040000e+00 -2.0882970000e+00 -6.2057800000e-01  1.7204900000e+00 -1.2050020000e+00  3.3398700000e-01
-ENERGY -1.526547570353e+02
-FORCES -2.7186000000e-03  4.0080000000e-04 -4.3436000000e-03 -9.7300000000e-04 -1.7827000000e-03  3.4668000000e-03  3.4360000000e-03  1.5739000000e-03  6.9470000000e-04  1.5484000000e-03 -1.9348000000e-03  4.1154000000e-03 -2.5529000000e-03  2.8660000000e-03  3.5300000000e-05  1.2601000000e-03 -1.1233000000e-03 -3.9685000000e-03
-
-JOB 67
-COORDS -1.0133400000e-01 -1.9883210000e+00 -1.3775890000e+00 -3.2513500000e-01 -2.0023050000e+00 -2.3081530000e+00 -9.0041800000e-01 -1.6902320000e+00 -9.4303200000e-01  1.5269400000e-01  1.9229310000e+00  1.4334330000e+00  8.5033500000e-01  2.1923860000e+00  8.3600200000e-01 -4.6560700000e-01  2.6535960000e+00  1.4254720000e+00
-ENERGY -1.526543545668e+02
-FORCES -4.3064000000e-03  1.3468000000e-03 -1.3276000000e-03  9.9380000000e-04  1.6080000000e-04  3.6907000000e-03  3.0557000000e-03 -1.6632000000e-03 -2.3964000000e-03  9.9080000000e-04  3.9994000000e-03 -2.4822000000e-03 -3.0744000000e-03 -7.0320000000e-04  2.5847000000e-03  2.3405000000e-03 -3.1407000000e-03 -6.9200000000e-05
-
-JOB 68
-COORDS  5.4851100000e-01  1.7585960000e+00  1.5625370000e+00 -2.6698400000e-01  2.1400980000e+00  1.8875830000e+00  8.2318900000e-01  1.1552870000e+00  2.2530450000e+00 -4.5114900000e-01 -1.7727560000e+00 -1.6274570000e+00 -7.0961600000e-01 -8.5783400000e-01 -1.5163540000e+00 -1.2778170000e+00 -2.2548620000e+00 -1.6480850000e+00
-ENERGY -1.526546068325e+02
-FORCES -1.5696000000e-03 -9.7510000000e-04  4.6331000000e-03  3.1552000000e-03 -1.7131000000e-03 -1.6442000000e-03 -1.3249000000e-03  2.7467000000e-03 -2.7315000000e-03 -4.0177000000e-03  2.3849000000e-03  4.6400000000e-04  4.6980000000e-04 -4.3310000000e-03 -9.1000000000e-04  3.2872000000e-03  1.8877000000e-03  1.8870000000e-04
-
-JOB 69
-COORDS  1.4448080000e+00 -5.1198500000e-01 -1.9727060000e+00  6.8672300000e-01 -5.8351300000e-01 -2.5527260000e+00  1.0703200000e+00 -4.6414400000e-01 -1.0931030000e+00 -1.4093430000e+00  4.6270400000e-01  1.9124430000e+00 -1.8262430000e+00  1.3137440000e+00  2.0471970000e+00 -6.2728900000e-01  4.8859100000e-01  2.4637630000e+00
-ENERGY -1.526553502753e+02
-FORCES -5.2428000000e-03 -1.3880000000e-04  1.5390000000e-03  3.2282000000e-03  2.8540000000e-04  1.9510000000e-03  2.4396000000e-03 -2.4720000000e-04 -3.7781000000e-03  8.4520000000e-04  3.9070000000e-03  3.6375000000e-03  1.7911000000e-03 -3.5902000000e-03 -5.6850000000e-04 -3.0613000000e-03 -2.1620000000e-04 -2.7809000000e-03
-
-JOB 70
-COORDS  1.7500090000e+00  1.2027850000e+00  1.1481100000e+00  2.5959110000e+00  1.0367780000e+00  7.3202800000e-01  1.9353330000e+00  1.8670050000e+00  1.8119620000e+00 -1.8004770000e+00 -1.2868800000e+00 -1.1737410000e+00 -2.0172660000e+00 -5.5982100000e-01 -1.7573670000e+00 -1.5663750000e+00 -8.6813500000e-01 -3.4544100000e-01
-ENERGY -1.526552487654e+02
-FORCES  4.7434000000e-03  1.9282000000e-03  1.0528000000e-03 -3.4694000000e-03  8.9870000000e-04  1.8175000000e-03 -8.2170000000e-04 -2.7062000000e-03 -2.7709000000e-03  7.6060000000e-04  5.0332000000e-03  1.4609000000e-03  6.0670000000e-04 -3.0056000000e-03  2.0510000000e-03 -1.8196000000e-03 -2.1483000000e-03 -3.6114000000e-03
-
-JOB 71
-COORDS -7.4044300000e-01 -9.4038700000e-01  2.1553510000e+00 -1.0635000000e-02 -4.9097500000e-01  2.5815450000e+00 -9.4067600000e-01 -1.6756700000e+00  2.7345730000e+00  7.3747000000e-01  9.4551800000e-01 -2.2630330000e+00  1.1621080000e+00  1.3189670000e+00 -1.4907310000e+00 -1.7960900000e-01  8.4530600000e-01 -2.0077760000e+00
-ENERGY -1.526546705194e+02
-FORCES  2.0759000000e-03 -1.7754000000e-03  4.3988000000e-03 -2.9740000000e-03 -1.5431000000e-03 -2.0172000000e-03  8.4550000000e-04  3.1181000000e-03 -2.2781000000e-03 -2.4430000000e-03  5.5930000000e-04  4.6497000000e-03 -1.3216000000e-03 -1.2000000000e-03 -3.1647000000e-03  3.8171000000e-03  8.4110000000e-04 -1.5886000000e-03
-
-JOB 72
-COORDS -8.0213300000e-01  2.1610600000e-01  2.3869510000e+00 -1.8312800000e-01 -5.1082000000e-01  2.4550960000e+00 -3.8019700000e-01  9.3545500000e-01  2.8567790000e+00  6.8301900000e-01 -1.8017500000e-01 -2.4009700000e+00  8.1012200000e-01 -9.9366200000e-01 -2.8891470000e+00  1.5657100000e+00  8.5147000000e-02 -2.1427190000e+00
-ENERGY -1.526533695241e+02
-FORCES  4.1846000000e-03 -5.3600000000e-05  1.6260000000e-03 -2.4169000000e-03  2.9305000000e-03  3.9600000000e-05 -1.6631000000e-03 -2.9339000000e-03 -1.8422000000e-03  3.8596000000e-03 -2.1013000000e-03 -8.8140000000e-04 -4.7430000000e-04  3.3140000000e-03  2.0621000000e-03 -3.4900000000e-03 -1.1557000000e-03 -1.0041000000e-03
-
-JOB 73
-COORDS  1.7524010000e+00  1.1393720000e+00 -1.6216030000e+00  1.2531320000e+00  1.9559470000e+00 -1.6345480000e+00  1.0928770000e+00  4.5319200000e-01 -1.7236690000e+00 -1.6712930000e+00 -1.1960180000e+00  1.5748260000e+00 -1.4160760000e+00 -1.2658450000e+00  2.4947290000e+00 -2.1348010000e+00 -3.6051700000e-01  1.5171240000e+00
-ENERGY -1.526544642936e+02
-FORCES -4.8307000000e-03 -5.2000000000e-06 -2.9740000000e-04  1.9836000000e-03 -3.1413000000e-03  1.1600000000e-04  2.8429000000e-03  3.2526000000e-03  9.1000000000e-06 -7.3630000000e-04  2.9060000000e-03  4.0828000000e-03 -1.2441000000e-03  3.0860000000e-04 -3.7845000000e-03  1.9845000000e-03 -3.3207000000e-03 -1.2590000000e-04
-
-JOB 74
-COORDS -6.6352500000e-01 -6.5388500000e-01 -2.6212630000e+00 -8.1584000000e-01  2.9093000000e-01 -2.6401680000e+00  1.7751400000e-01 -7.7027700000e-01 -3.0632340000e+00  5.6423800000e-01  5.8745900000e-01  2.6873030000e+00  9.7097300000e-01  1.1750400000e-01  1.9593320000e+00  1.1028560000e+00  1.3709570000e+00  2.7979960000e+00
-ENERGY -1.526540879742e+02
-FORCES  2.3177000000e-03  3.3989000000e-03 -2.2156000000e-03  8.8450000000e-04 -3.9263000000e-03  9.6600000000e-05 -3.3144000000e-03  5.1080000000e-04  2.0849000000e-03  3.6723000000e-03  9.0900000000e-04 -2.6193000000e-03 -1.3587000000e-03  2.2213000000e-03  3.1872000000e-03 -2.2014000000e-03 -3.1136000000e-03 -5.3380000000e-04
-
-JOB 75
-COORDS  6.8360600000e-01  8.0105900000e-01  2.6647550000e+00  2.5233400000e-01  1.6516830000e+00  2.5830610000e+00 -2.9952000000e-02  1.8525000000e-01  2.8316280000e+00 -6.3727200000e-01 -8.7477100000e-01 -2.6749070000e+00 -3.0176500000e-01 -2.7188500000e-01 -3.3383800000e+00 -7.7965900000e-01 -3.2702000000e-01 -1.9029450000e+00
-ENERGY -1.526541118509e+02
-FORCES -4.4845000000e-03  8.2490000000e-04  1.0173000000e-03  1.7249000000e-03 -3.5621000000e-03 -2.8900000000e-05  2.8787000000e-03  2.6985000000e-03 -9.6260000000e-04  1.2545000000e-03  4.6890000000e-03  5.5870000000e-04 -1.5029000000e-03 -2.4325000000e-03  2.6280000000e-03  1.2940000000e-04 -2.2177000000e-03 -3.2126000000e-03
-
-JOB 76
-COORDS -3.1120600000e-01  2.2088210000e+00 -1.9545100000e+00  3.9649000000e-02  3.0709280000e+00 -2.1779020000e+00  3.8790100000e-01  1.7873700000e+00 -1.4546480000e+00  1.8932000000e-01 -2.2568420000e+00  1.9205290000e+00  1.0354710000e+00 -2.6331580000e+00  1.6783600000e+00  4.0835300000e-01 -1.5254150000e+00  2.4978250000e+00
-ENERGY -1.526537909078e+02
-FORCES  4.1465000000e-03  1.5599000000e-03  1.1274000000e-03 -1.4148000000e-03 -3.5278000000e-03  9.5430000000e-04 -2.6622000000e-03  1.9579000000e-03 -2.0308000000e-03  4.1104000000e-03  1.1990000000e-03  1.5588000000e-03 -3.4282000000e-03  1.7173000000e-03  9.1770000000e-04 -7.5160000000e-04 -2.9064000000e-03 -2.5273000000e-03
-
-JOB 77
-COORDS -1.0404700000e-01 -2.9537340000e+00 -4.7034900000e-01  2.2927800000e-01 -3.6319800000e+00  1.1710900000e-01 -1.8944300000e-01 -3.3908630000e+00 -1.3176140000e+00  3.9088000000e-02  3.0446810000e+00  5.3032300000e-01  5.0003600000e-01  3.5340840000e+00 -1.5103100000e-01  3.8122000000e-01  2.1535750000e+00  4.5886300000e-01
-ENERGY -1.526545475003e+02
-FORCES  7.4390000000e-04 -4.8139000000e-03 -1.0232000000e-03 -1.2812000000e-03  2.8293000000e-03 -2.4479000000e-03  4.4920000000e-04  1.8306000000e-03  3.4585000000e-03  3.1067000000e-03 -2.1136000000e-03 -3.1148000000e-03 -1.8291000000e-03 -1.8374000000e-03  2.7427000000e-03 -1.1894000000e-03  4.1049000000e-03  3.8470000000e-04
-
-JOB 78
-COORDS -1.8095500000e+00  2.5036220000e+00  8.5158000000e-02 -1.3718280000e+00  1.8273750000e+00 -4.3187300000e-01 -2.1670220000e+00  3.1087540000e+00 -5.6465800000e-01  1.7963990000e+00 -2.4317540000e+00 -4.2180000000e-03  2.3766700000e+00 -2.8103190000e+00 -6.6467700000e-01  1.3309460000e+00 -3.1823270000e+00  3.6487000000e-01
-ENERGY -1.526543715579e+02
-FORCES  6.9620000000e-04 -5.6450000000e-04 -4.6623000000e-03 -2.1605000000e-03  3.0522000000e-03  1.9549000000e-03  1.3821000000e-03 -2.4042000000e-03  2.6183000000e-03  6.3420000000e-04 -4.7706000000e-03 -8.8750000000e-04 -2.4480000000e-03  1.6087000000e-03  2.6219000000e-03  1.8960000000e-03  3.0784000000e-03 -1.6454000000e-03
-
-JOB 79
-COORDS  1.2942260000e+00  2.1609570000e+00 -1.9224940000e+00  6.9390200000e-01  2.4621370000e+00 -1.2404870000e+00  1.7266670000e+00  2.9574570000e+00 -2.2304120000e+00 -1.3183430000e+00 -2.2805040000e+00  1.9213240000e+00 -6.7570700000e-01 -1.7584520000e+00  2.4016490000e+00 -1.3445420000e+00 -1.8861590000e+00  1.0495230000e+00
-ENERGY -1.526542085182e+02
-FORCES -5.0780000000e-04  4.7769000000e-03  1.2108000000e-03  2.3881000000e-03 -1.5511000000e-03 -2.6055000000e-03 -1.8091000000e-03 -3.2738000000e-03  1.3243000000e-03  2.7379000000e-03  3.5422000000e-03 -1.8164000000e-03 -2.7321000000e-03 -2.0087000000e-03 -1.8486000000e-03 -7.7100000000e-05 -1.4855000000e-03  3.7354000000e-03
-
-JOB 80
-COORDS -3.0657610000e+00 -1.0545300000e+00  2.7849600000e-01 -3.4338590000e+00 -1.7597450000e+00 -2.5386500000e-01 -3.4320360000e+00 -1.1965340000e+00  1.1513690000e+00  3.1175350000e+00  1.1040520000e+00 -3.5763200000e-01  3.2929210000e+00  4.3534700000e-01  3.0441600000e-01  2.7166610000e+00  1.8242540000e+00  1.2903200000e-01
-ENERGY -1.526540431323e+02
-FORCES -3.0293000000e-03 -3.5096000000e-03  1.1619000000e-03  1.4550000000e-03  2.8691000000e-03  2.2613000000e-03  1.5816000000e-03  6.2560000000e-04 -3.4970000000e-03 -1.4150000000e-03  9.6800000000e-05  4.6496000000e-03 -4.7820000000e-04  2.7270000000e-03 -2.6509000000e-03  1.8859000000e-03 -2.8088000000e-03 -1.9249000000e-03
-
-JOB 81
-COORDS -9.4443700000e-01 -1.9491290000e+00  3.0859270000e+00 -2.0462800000e-01 -1.3481400000e+00  2.9980230000e+00 -1.5292290000e+00 -1.5201210000e+00  3.7105880000e+00  9.5629600000e-01  1.9293950000e+00 -3.0571240000e+00  1.4749720000e+00  1.4107020000e+00 -3.6720750000e+00  5.6278000000e-02  1.8456690000e+00 -3.3720660000e+00
-ENERGY -1.526542804449e+02
-FORCES  7.1980000000e-04  4.3189000000e-03  2.0989000000e-03 -3.0489000000e-03 -2.5439000000e-03  4.6870000000e-04  2.3322000000e-03 -1.7849000000e-03 -2.5164000000e-03 -1.6011000000e-03 -2.5529000000e-03 -3.8421000000e-03 -2.0862000000e-03  2.1538000000e-03  2.5078000000e-03  3.6841000000e-03  4.0900000000e-04  1.2830000000e-03
-
-JOB 82
-COORDS -9.6742900000e-01 -1.0904410000e+00 -3.4616510000e+00 -1.1867620000e+00 -2.6321200000e-01 -3.8903900000e+00 -7.1607800000e-01 -1.6729660000e+00 -4.1783930000e+00  9.9786900000e-01  1.1011300000e+00  3.4819850000e+00  5.2510400000e-01  2.6923800000e-01  3.4558820000e+00  8.5764500000e-01  1.4290850000e+00  4.3702490000e+00
-ENERGY -1.526540804224e+02
-FORCES  2.4660000000e-04  1.1367000000e-03 -4.6375000000e-03  8.2690000000e-04 -3.4336000000e-03  1.6916000000e-03 -1.0579000000e-03  2.3320000000e-03  2.9240000000e-03 -2.5763000000e-03 -2.1872000000e-03  3.3186000000e-03  1.9684000000e-03  3.4442000000e-03  2.9630000000e-04  5.9240000000e-04 -1.2922000000e-03 -3.5931000000e-03
-
-JOB 83
-COORDS -3.6741120000e+00 -7.8694500000e-01 -2.6148200000e-01 -4.3502690000e+00 -4.9445200000e-01 -8.7262200000e-01 -4.1580560000e+00 -1.2135330000e+00  4.4566200000e-01  3.7030930000e+00  8.2226100000e-01  3.0062500000e-01  3.6333760000e+00 -1.0385600000e-01  6.8940000000e-02  4.3826060000e+00  1.1644620000e+00 -2.8023100000e-01
-ENERGY -1.526539619227e+02
-FORCES -4.6976000000e-03 -4.0960000000e-04  4.8010000000e-04  2.7506000000e-03 -1.2388000000e-03  2.4599000000e-03  1.9609000000e-03  1.6839000000e-03 -2.9207000000e-03  2.2123000000e-03 -2.4494000000e-03 -3.3827000000e-03  4.8230000000e-04  3.7760000000e-03  9.7850000000e-04 -2.7085000000e-03 -1.3621000000e-03  2.3848000000e-03
-
-JOB 84
-COORDS  1.1312880000e+00 -3.5320050000e+00 -1.1499310000e+00  1.6719510000e+00 -2.8078210000e+00 -8.3454000000e-01  9.6145600000e-01 -3.3224410000e+00 -2.0683380000e+00 -1.2164000000e+00  3.4995630000e+00  1.2013000000e+00 -9.3521700000e-01  2.9632280000e+00  4.6000800000e-01 -4.0666400000e-01  3.7089840000e+00  1.6668120000e+00
-ENERGY -1.526538490881e+02
-FORCES  1.5208000000e-03  3.6267000000e-03 -2.4944000000e-03 -2.2526000000e-03 -2.8284000000e-03 -1.2848000000e-03  7.0620000000e-04 -7.6300000000e-04  3.8017000000e-03  4.3575000000e-03 -1.3232000000e-03 -1.0329000000e-03 -1.0556000000e-03  2.1745000000e-03  2.9747000000e-03 -3.2763000000e-03 -8.8660000000e-04 -1.9643000000e-03
-
-JOB 85
-COORDS  2.7402400000e-01  3.5788080000e+00  1.4767900000e+00 -4.8427100000e-01  3.1268520000e+00  1.1067140000e+00  1.1394900000e-01  3.5829100000e+00  2.4205010000e+00 -2.8230400000e-01 -3.5064500000e+00 -1.5071030000e+00  1.2355000000e-02 -4.0946040000e+00 -2.2024330000e+00  3.0366200000e-01 -3.6903210000e+00 -7.7289000000e-01
-ENERGY -1.526542168766e+02
-FORCES -3.8196000000e-03 -1.9170000000e-03  2.2068000000e-03  3.1103000000e-03  1.9495000000e-03  1.6096000000e-03  6.9490000000e-04 -3.6000000000e-06 -3.7980000000e-03  3.7026000000e-03 -3.1382000000e-03  8.1200000000e-05 -1.2276000000e-03  2.3726000000e-03  2.8512000000e-03 -2.4605000000e-03  7.3670000000e-04 -2.9508000000e-03
-
-JOB 86
-COORDS  2.0011160000e+00 -1.1574720000e+00  3.3223180000e+00  1.3993520000e+00 -4.4030500000e-01  3.5217760000e+00  1.4997890000e+00 -1.7396470000e+00  2.7513740000e+00 -1.9918990000e+00  1.1062880000e+00 -3.2995900000e+00 -1.3489850000e+00  1.1628000000e+00 -4.0064840000e+00 -1.7020240000e+00  1.7558450000e+00 -2.6590590000e+00
-ENERGY -1.526541679669e+02
-FORCES -4.5641000000e-03  4.2890000000e-04 -1.4710000000e-03  2.4916000000e-03 -2.8492000000e-03 -8.4850000000e-04  2.0972000000e-03  2.4304000000e-03  2.3353000000e-03  3.7995000000e-03  2.9626000000e-03 -4.4950000000e-04 -2.6341000000e-03 -2.4650000000e-04  2.9318000000e-03 -1.1901000000e-03 -2.7262000000e-03 -2.4980000000e-03
-
-JOB 87
-COORDS  3.3868510000e+00 -1.3053600000e+00  1.7009300000e+00  4.2256680000e+00 -1.6014460000e+00  1.3474460000e+00  3.2676870000e+00 -1.8200520000e+00  2.4991320000e+00 -3.4328640000e+00  1.3079980000e+00 -1.6664370000e+00 -2.8034570000e+00  2.0169370000e+00 -1.7986650000e+00 -3.9384190000e+00  1.2812910000e+00 -2.4787990000e+00
-ENERGY -1.526539976228e+02
-FORCES  2.7983000000e-03 -3.3700000000e-03  1.8337000000e-03 -3.3935000000e-03  1.2406000000e-03  1.4218000000e-03  5.6590000000e-04  2.1097000000e-03 -3.2453000000e-03  7.1840000000e-04  2.7449000000e-03 -3.7842000000e-03 -2.6981000000e-03 -2.8270000000e-03  4.7300000000e-04  2.0090000000e-03  1.0180000000e-04  3.3011000000e-03
-
-JOB 88
-COORDS -1.4515400000e-01  4.1795590000e+00  9.7829900000e-01 -2.3705400000e-01  3.9776460000e+00  1.9094370000e+00 -7.2476100000e-01  3.5569530000e+00  5.3938100000e-01  1.4006800000e-01 -4.1690340000e+00 -9.9393600000e-01  2.8961700000e-01 -3.7818170000e+00 -1.8564500000e+00  8.3983600000e-01 -3.8129690000e+00 -4.4642000000e-01
-ENERGY -1.526541501177e+02
-FORCES -2.8534000000e-03 -3.2817000000e-03  2.0602000000e-03  4.2490000000e-04  7.9750000000e-04 -3.8186000000e-03  2.4487000000e-03  2.5052000000e-03  1.7546000000e-03  3.5699000000e-03  2.9147000000e-03 -1.3569000000e-03 -6.6300000000e-04 -1.5357000000e-03  3.5571000000e-03 -2.9271000000e-03 -1.4000000000e-03 -2.1965000000e-03
-
-JOB 89
-COORDS -1.9150200000e-01  1.3454630000e+00  4.1074680000e+00 -4.0182000000e-02  1.4911600000e+00  5.0413340000e+00  6.3921400000e-01  9.9988300000e-01  3.7807930000e+00  1.0026400000e-01 -1.3569230000e+00 -4.1103090000e+00  5.5537500000e-01 -5.3824800000e-01 -3.9131360000e+00  5.9141600000e-01 -1.7348610000e+00 -4.8398040000e+00
-ENERGY -1.526539962800e+02
-FORCES  3.9528000000e-03 -9.1370000000e-04  2.4643000000e-03 -6.0490000000e-04 -5.7000000000e-04 -3.8114000000e-03 -3.3468000000e-03  1.4776000000e-03  1.3357000000e-03  3.7750000000e-03  1.8584000000e-03 -2.1603000000e-03 -1.7913000000e-03 -3.3792000000e-03 -8.1670000000e-04 -1.9848000000e-03  1.5269000000e-03  2.9883000000e-03
-
-JOB 0
-COORDS -4.3168200000e-01 -1.8592600000e-01 -1.2939890000e+00  8.3608000000e-02 -9.7134000000e-02 -4.9222600000e-01  1.8868300000e-01 -5.1920300000e-01 -1.9422990000e+00  4.1247000000e-01  1.6645700000e-01  1.2640330000e+00  3.7141500000e-01  1.1161760000e+00  1.3761910000e+00 -4.6013300000e-01 -1.4198700000e-01  1.5082850000e+00
-ENERGY -1.526610434227e+02
-FORCES  7.3106000000e-03  8.4490000000e-04  1.1743500000e-02 -6.0013000000e-03 -1.0782000000e-03 -9.6465000000e-03 -6.5270000000e-04  1.3132000000e-03  3.4737000000e-03 -5.7264000000e-03  2.0476000000e-03 -9.5880000000e-04 -2.0590000000e-04 -5.3471000000e-03 -1.5742000000e-03  5.2758000000e-03  2.2196000000e-03 -3.0376000000e-03
-
-JOB 1
-COORDS  1.0257110000e+00 -4.2833000000e-02  7.8467800000e-01  1.7418460000e+00  5.0353700000e-01  1.1085040000e+00  1.0094810000e+00 -7.9371100000e-01  1.3781010000e+00 -1.1189590000e+00  3.6015000000e-02 -8.3983400000e-01 -4.5895000000e-01  1.0228300000e-01 -1.4974100000e-01 -6.9260800000e-01  4.0048100000e-01 -1.6154760000e+00
-ENERGY -1.526595845958e+02
-FORCES -3.7269000000e-03  3.5710000000e-04 -2.0905000000e-03 -2.6012000000e-03 -4.1346000000e-03 -1.0477000000e-03  4.8290000000e-04  4.8188000000e-03 -2.5468000000e-03  1.4162700000e-02  1.3103000000e-03  6.6119000000e-03 -7.0453000000e-03 -1.8982000000e-03 -2.6935000000e-03 -1.2723000000e-03 -4.5320000000e-04  1.7665000000e-03
-
-JOB 2
-COORDS -7.9559900000e-01 -2.0572100000e-01  1.1156820000e+00 -1.9296000000e-02 -4.9816000000e-01  6.3812000000e-01 -1.4591940000e+00 -8.6831500000e-01  9.2373600000e-01  8.1452700000e-01  2.4621300000e-01 -1.0135380000e+00 -5.3910000000e-03  7.1867800000e-01 -1.1575630000e+00  1.1405940000e+00  5.7618000000e-02 -1.8935060000e+00
-ENERGY -1.526596772199e+02
-FORCES  6.8725000000e-03 -3.4615000000e-03 -6.7283000000e-03 -6.3672000000e-03  6.8480000000e-04  4.8737000000e-03  2.3818000000e-03  2.8112000000e-03 -6.5600000000e-04 -4.7501000000e-03  2.3829000000e-03  4.3590000000e-04  4.9700000000e-03 -3.5687000000e-03 -1.5821000000e-03 -3.1071000000e-03  1.1513000000e-03  3.6568000000e-03
-
-JOB 3
-COORDS  1.1357760000e+00 -1.8163000000e-02  6.3422400000e-01  1.9504410000e+00  4.7756900000e-01  7.1670200000e-01  1.1336650000e+00 -6.0402200000e-01  1.3911890000e+00 -1.2062260000e+00 -5.5120000000e-03 -7.3811000000e-01 -1.7134870000e+00  3.7538300000e-01 -2.1286000000e-02 -2.9341100000e-01  1.4665900000e-01 -4.9347800000e-01
-ENERGY -1.526595674018e+02
-FORCES -3.8314000000e-03 -2.2861000000e-03  2.7200000000e-05 -4.1350000000e-03 -2.8548000000e-03  4.1230000000e-04  1.6495000000e-03  4.0410000000e-03 -2.6442000000e-03  1.1241000000e-02  1.9321000000e-03  8.8897000000e-03  8.0050000000e-04 -1.5278000000e-03 -1.6450000000e-03 -5.7246000000e-03  6.9570000000e-04 -5.0401000000e-03
-
-JOB 4
-COORDS  2.7666900000e-01 -8.8909600000e-01 -1.0082130000e+00  7.6035800000e-01 -1.6944560000e+00 -1.1917110000e+00  9.3302300000e-01 -1.9524600000e-01 -1.0714980000e+00 -3.5287100000e-01  9.2069700000e-01  1.0755300000e+00 -1.2859300000e-01  7.7020000000e-03  8.9560800000e-01 -8.4297000000e-02  1.3935180000e+00  2.8778600000e-01
-ENERGY -1.526553619540e+02
-FORCES  3.7851000000e-03  8.3980000000e-04 -1.9975000000e-03 -2.3053000000e-03  4.2990000000e-03  1.8076000000e-03 -4.7644000000e-03 -1.6725000000e-03  2.8856000000e-03  2.4010000000e-04 -7.3897000000e-03 -9.2987000000e-03  1.3996000000e-03  5.0163000000e-03  4.8616000000e-03  1.6449000000e-03 -1.0929000000e-03  1.7414000000e-03
-
-JOB 5
-COORDS -2.8496700000e-01 -1.2783330000e+00  6.4282800000e-01 -4.1672100000e-01 -3.8010800000e-01  3.3940700000e-01  6.3777600000e-01 -1.4592120000e+00  4.6377200000e-01  2.9396400000e-01  1.2262910000e+00 -5.8073000000e-01  3.1986000000e-01  1.3060800000e+00 -1.5342470000e+00 -6.2397500000e-01  1.3729780000e+00 -3.5247100000e-01
-ENERGY -1.526549268768e+02
-FORCES  8.5180000000e-03  9.5069000000e-03 -6.1388000000e-03 -8.2442000000e-03  9.9440000000e-04  2.6195000000e-03 -2.7142000000e-03 -2.2607000000e-03  1.1739000000e-03 -2.8767000000e-03 -5.1920000000e-04 -3.7847000000e-03 -3.8000000000e-06 -1.2900000000e-04  5.0351000000e-03  5.3209000000e-03 -7.5923000000e-03  1.0950000000e-03
-
-JOB 6
-COORDS  1.2619700000e+00  5.6715800000e-01 -4.7681800000e-01  1.6987660000e+00  3.6833800000e-01  3.5138000000e-01  4.4200800000e-01  7.4680000000e-02 -4.3996000000e-01 -1.2012940000e+00 -4.6993500000e-01  3.9389100000e-01 -1.0941340000e+00 -7.6639900000e-01  1.2976930000e+00 -1.8676570000e+00 -1.0515530000e+00  2.7950000000e-02
-ENERGY -1.526593277468e+02
-FORCES -1.0049000000e-02 -5.1490000000e-03  5.5923000000e-03 -1.2511000000e-03  5.3370000000e-04 -1.8456000000e-03  8.0342000000e-03  2.2811000000e-03 -3.5362000000e-03 -5.9800000000e-05 -1.3051000000e-03  2.2393000000e-03 -2.7320000000e-04  9.1270000000e-04 -4.7893000000e-03  3.5989000000e-03  2.7265000000e-03  2.3395000000e-03
-
-JOB 7
-COORDS -1.1400500000e+00 -6.4462900000e-01  6.8609900000e-01 -3.4064900000e-01 -8.5797200000e-01  2.0477400000e-01 -1.3375400000e+00  2.5779200000e-01  4.3536700000e-01  1.1333810000e+00  5.5809600000e-01 -6.0793400000e-01  6.9357600000e-01  5.2034500000e-01 -1.4572740000e+00  1.0262020000e+00  1.4653750000e+00 -3.2229800000e-01
-ENERGY -1.526556349361e+02
-FORCES  1.0239900000e-02  6.4783000000e-03 -4.6369000000e-03 -5.6965000000e-03 -3.9448000000e-03 -8.7100000000e-05 -1.3549000000e-03 -1.3879000000e-03  5.4310000000e-04 -2.5453000000e-03  4.2894000000e-03  2.0430000000e-04  9.0700000000e-05 -1.1753000000e-03  5.9634000000e-03 -7.3400000000e-04 -4.2597000000e-03 -1.9869000000e-03
-
-JOB 8
-COORDS  1.2248100000e+00 -1.4723700000e-01  7.0495800000e-01  2.1374280000e+00 -4.1344000000e-01  5.9317300000e-01  8.5429000000e-01 -1.8425900000e-01 -1.7684500000e-01 -1.2413590000e+00  1.2035200000e-01 -7.0018000000e-01 -1.7320670000e+00 -6.5364000000e-02  1.0041200000e-01 -9.6591700000e-01  1.0322910000e+00 -6.0673900000e-01
-ENERGY -1.526590833959e+02
-FORCES -3.1707000000e-03 -2.1661000000e-03 -5.3160000000e-03 -4.2855000000e-03  8.0290000000e-04 -9.7990000000e-04  7.0983000000e-03  3.0784000000e-03  4.3286000000e-03 -1.3748000000e-03  2.3388000000e-03  7.8064000000e-03  7.8000000000e-04  1.3156000000e-03 -4.4246000000e-03  9.5260000000e-04 -5.3697000000e-03 -1.4146000000e-03
-
-JOB 9
-COORDS -4.0944200000e-01 -1.1333980000e+00 -7.8630000000e-01 -7.5775100000e-01 -1.5739120000e+00 -1.1149000000e-02 -1.0275120000e+00 -4.2256600000e-01 -9.5641400000e-01  4.3418800000e-01  1.1582730000e+00  8.0321700000e-01 -5.7491000000e-02  8.0412500000e-01  6.2229000000e-02  1.3276780000e+00  8.4094600000e-01  6.7202100000e-01
-ENERGY -1.526530201742e+02
-FORCES -4.0500000000e-03  2.0400000000e-04  5.6276000000e-03  1.6016000000e-03  1.8765000000e-03 -4.5333000000e-03  7.6036000000e-03  1.8450000000e-03  4.2721000000e-03  3.0838000000e-03 -9.7899000000e-03 -7.1209000000e-03 -6.0379000000e-03  3.1863000000e-03 -3.8850000000e-04 -2.2011000000e-03  2.6781000000e-03  2.1430000000e-03
-
-JOB 10
-COORDS  1.2613260000e+00  4.0067100000e-01 -5.3776300000e-01  1.1849960000e+00  1.3246440000e+00 -7.7584100000e-01  1.5005310000e+00  4.1061500000e-01  3.8901300000e-01 -1.3093280000e+00 -4.0177200000e-01  5.1058200000e-01 -3.8158700000e-01 -5.1008400000e-01  7.1985700000e-01 -1.5459200000e+00 -1.2046530000e+00  4.6213000000e-02
-ENERGY -1.526524191203e+02
-FORCES -3.8266000000e-03  5.9168000000e-03  1.5369000000e-03  1.8887000000e-03 -3.9633000000e-03  8.6560000000e-04 -5.1148000000e-03 -3.1321000000e-03 -3.0881000000e-03  8.2032000000e-03 -1.7844000000e-03 -6.6171000000e-03 -1.3461000000e-03  1.6980000000e-04  5.2651000000e-03  1.9560000000e-04  2.7932000000e-03  2.0377000000e-03
-
-JOB 11
-COORDS -7.6387200000e-01 -8.6366500000e-01  7.5288900000e-01 -6.1714300000e-01 -1.5780940000e+00  1.3728030000e+00 -1.6163430000e+00 -5.0416200000e-01  9.9841700000e-01  8.1008700000e-01  9.3765200000e-01 -7.8247900000e-01  2.7767500000e-01  2.2255300000e-01 -4.3405000000e-01  1.1930710000e+00  5.8283600000e-01 -1.5847630000e+00
-ENERGY -1.526613437379e+02
-FORCES -7.6000000000e-06  4.2110000000e-04  2.9213000000e-03 -2.3481000000e-03  3.0921000000e-03 -2.2159000000e-03  4.0342000000e-03 -2.6072000000e-03 -6.2180000000e-04 -4.1702000000e-03 -7.7354000000e-03  3.4860000000e-03  3.9457000000e-03  6.6280000000e-03 -6.4977000000e-03 -1.4539000000e-03  2.0140000000e-04  2.9281000000e-03
-
-JOB 12
-COORDS  1.1277000000e+00  6.6214600000e-01  6.7900000000e-01  9.3260700000e-01  1.5838480000e+00  8.4822500000e-01  5.0110100000e-01  4.0442900000e-01  2.8440000000e-03 -1.0385040000e+00 -6.8033700000e-01 -6.0018800000e-01 -1.7534100000e+00 -2.4738800000e-01 -1.0667670000e+00 -9.9585400000e-01 -1.5555840000e+00 -9.8535800000e-01
-ENERGY -1.526596986093e+02
-FORCES -8.5432000000e-03 -2.6762000000e-03 -4.1520000000e-03 -2.4790000000e-04 -2.9874000000e-03 -1.1207000000e-03  7.4185000000e-03  5.9053000000e-03  2.9625000000e-03 -1.3491000000e-03 -2.9413000000e-03 -1.2497000000e-03  4.0172000000e-03 -1.8063000000e-03  2.2410000000e-03 -1.2956000000e-03  4.5059000000e-03  1.3189000000e-03
-
-JOB 13
-COORDS  1.3491690000e+00 -2.0844500000e-01 -4.1945600000e-01  1.3798040000e+00 -1.1587010000e+00 -5.3038600000e-01  1.1443030000e+00  1.2850800000e-01 -1.2916510000e+00 -1.3942500000e+00  2.6310900000e-01  4.6549300000e-01 -1.1026390000e+00  3.3929900000e-01  1.3740030000e+00 -6.2285200000e-01 -4.6839000000e-02 -8.9640000000e-03
-ENERGY -1.526587563442e+02
-FORCES  2.8088000000e-03 -1.1523000000e-03 -3.8802000000e-03 -2.5398000000e-03  5.6274000000e-03  1.0416000000e-03 -1.8430000000e-03 -2.7816000000e-03  6.0740000000e-03  1.2501100000e-02 -9.6960000000e-04  1.2207000000e-03 -2.3553000000e-03 -3.8040000000e-04 -2.0504000000e-03 -8.5719000000e-03 -3.4360000000e-04 -2.4057000000e-03
-
-JOB 14
-COORDS  5.4267200000e-01  7.1884000000e-02  1.3392190000e+00 -1.9418100000e-01  6.2804200000e-01  1.0863000000e+00  1.2393770000e+00  6.8658100000e-01  1.5693920000e+00 -5.0060900000e-01 -1.1061400000e-01 -1.3834060000e+00 -3.0027300000e-01 -2.5006400000e-01 -4.5785100000e-01 -1.3591520000e+00 -5.1548100000e-01 -1.5067670000e+00
-ENERGY -1.526559646457e+02
-FORCES  2.8245000000e-03  6.6392000000e-03 -3.0020000000e-04  3.0785000000e-03 -8.1143000000e-03 -4.7039000000e-03 -3.8194000000e-03 -2.6070000000e-03  1.1750000000e-04  2.4317000000e-03 -4.3103000000e-03  4.8314000000e-03 -7.8631000000e-03  6.4080000000e-03 -1.9609000000e-03  3.3479000000e-03  1.9843000000e-03  2.0160000000e-03
-
-JOB 15
-COORDS -6.2854200000e-01 -1.0293810000e+00  8.4543400000e-01  8.8800000000e-03 -4.1807700000e-01  4.7633600000e-01 -9.8366000000e-02 -1.6806110000e+00  1.3048290000e+00  6.2206600000e-01  1.0328980000e+00 -7.9687600000e-01  5.7009100000e-01  5.2566400000e-01 -1.6069650000e+00 -2.0504200000e-01  1.5133600000e+00 -7.6108000000e-01
-ENERGY -1.526616118453e+02
-FORCES  6.7959000000e-03  4.9489000000e-03 -2.4616000000e-03 -6.1824000000e-03 -7.7230000000e-03  4.7000000000e-03 -8.8150000000e-04  2.6268000000e-03 -2.3144000000e-03 -4.4584000000e-03  1.6475000000e-03 -5.1277000000e-03  2.2220000000e-04  1.9407000000e-03  4.9776000000e-03  4.5042000000e-03 -3.4409000000e-03  2.2600000000e-04
-
-JOB 16
-COORDS -9.6456300000e-01 -7.8858500000e-01 -6.1283900000e-01 -1.4069660000e+00 -2.2575200000e-01 -1.2482370000e+00 -1.4507490000e+00 -1.6125770000e+00 -6.4268400000e-01  1.0058290000e+00  8.6347600000e-01  6.5654400000e-01  1.8393000000e+00  3.9279800000e-01  6.5205000000e-01  3.4846300000e-01  1.8910800000e-01  4.8528700000e-01
-ENERGY -1.526612909202e+02
-FORCES -2.2316000000e-03  8.7400000000e-04 -2.2482000000e-03  1.0605000000e-03 -4.0032000000e-03  2.8857000000e-03  1.8446000000e-03  3.9880000000e-03 -9.9260000000e-04 -4.0287000000e-03 -7.9959000000e-03 -3.7223000000e-03 -2.5862000000e-03  1.1581000000e-03  1.2390000000e-04  5.9414000000e-03  5.9791000000e-03  3.9536000000e-03
-
-JOB 17
-COORDS -1.0471090000e+00  6.1716000000e-01  7.2725700000e-01 -3.5950900000e-01  4.2220800000e-01  1.3639930000e+00 -1.8411750000e+00  7.1252500000e-01  1.2531830000e+00  1.0841480000e+00 -5.8526200000e-01 -7.2848700000e-01  2.6694200000e-01 -3.2586200000e-01 -1.1540660000e+00  1.4206740000e+00 -1.2991770000e+00 -1.2700650000e+00
-ENERGY -1.526586230315e+02
-FORCES  2.8487000000e-03 -1.5055000000e-03  4.6103000000e-03 -5.3183000000e-03  2.3227000000e-03 -7.5930000000e-04  3.5473000000e-03 -9.5610000000e-04 -1.8836000000e-03 -5.1311000000e-03  2.4010000000e-04 -2.6984000000e-03  6.1888000000e-03 -2.7582000000e-03 -1.3395000000e-03 -2.1354000000e-03  2.6570000000e-03  2.0705000000e-03
-
-JOB 18
-COORDS -9.1951800000e-01 -1.1802050000e+00 -3.4260600000e-01 -1.2536960000e+00 -6.9086300000e-01 -1.0943390000e+00 -4.5077200000e-01 -5.2855200000e-01  1.7879300000e-01  8.5633100000e-01  1.0817980000e+00  3.5960500000e-01  1.6474510000e+00  1.0114950000e+00  8.9385000000e-01  1.0528180000e+00  1.7754450000e+00 -2.7006100000e-01
-ENERGY -1.526599114153e+02
-FORCES  4.7808000000e-03  9.4178000000e-03  1.5760000000e-04  4.3090000000e-04 -1.9027000000e-03  1.5433000000e-03 -4.9443000000e-03 -6.9763000000e-03 -1.7970000000e-04  3.5867000000e-03  1.5108000000e-03 -1.9537000000e-03 -3.5870000000e-03  7.5090000000e-04 -2.7258000000e-03 -2.6700000000e-04 -2.8006000000e-03  3.1583000000e-03
-
-JOB 19
-COORDS  1.1821000000e-02  9.9715700000e-01 -1.1685260000e+00 -2.7269200000e-01  1.9863100000e-01 -7.2395700000e-01  6.2186000000e-02  1.6536780000e+00 -4.7377800000e-01 -3.4097000000e-02 -1.0136950000e+00  1.0525970000e+00  9.0735500000e-01 -1.0094630000e+00  1.2254620000e+00 -4.2132100000e-01 -5.9695200000e-01  1.8224120000e+00
-ENERGY -1.526595379632e+02
-FORCES -1.4063000000e-03 -5.0397000000e-03  8.8643000000e-03  2.6450000000e-04  5.6703000000e-03 -6.5933000000e-03  2.4750000000e-04 -1.1844000000e-03 -2.1686000000e-03  3.6274000000e-03  1.0352000000e-03  4.3640000000e-03 -4.9970000000e-03  4.4160000000e-04 -2.5940000000e-04  2.2640000000e-03 -9.2290000000e-04 -4.2070000000e-03
-
-JOB 20
-COORDS  6.2907000000e-02  5.2721900000e-01 -1.4446950000e+00  2.6183400000e-01  3.8990500000e-01 -5.1851700000e-01 -8.3220300000e-01  2.0431400000e-01 -1.5483400000e+00 -4.2147000000e-02 -4.5022600000e-01  1.3679750000e+00  6.4418600000e-01 -3.3995400000e-01  2.0260160000e+00 -2.1612900000e-01 -1.3914300000e+00  1.3580700000e+00
-ENERGY -1.526606857877e+02
-FORCES -3.3974000000e-03 -3.2414000000e-03  9.5103000000e-03  1.8191000000e-03  3.2479000000e-03 -8.3422000000e-03  2.5747000000e-03  4.7340000000e-04 -8.1840000000e-04  1.3676000000e-03 -4.2416000000e-03  2.8547000000e-03 -3.1189000000e-03 -9.0690000000e-04 -3.6157000000e-03  7.5490000000e-04  4.6686000000e-03  4.1130000000e-04
-
-JOB 21
-COORDS -1.2083250000e+00  4.9671600000e-01  6.9712300000e-01 -1.1794620000e+00  1.1686580000e+00  1.6026000000e-02 -1.9307900000e+00 -7.5711000000e-02  4.3904600000e-01  1.2526670000e+00 -5.5854700000e-01 -6.8492300000e-01  1.5585970000e+00  3.3742400000e-01 -8.2589900000e-01  7.8857700000e-01 -5.2485400000e-01  1.5156800000e-01
-ENERGY -1.526582904925e+02
-FORCES -3.3630000000e-03 -1.3100000000e-05 -6.4100000000e-03  5.1090000000e-04 -2.3773000000e-03  3.4925000000e-03  3.1700000000e-03  2.6949000000e-03  1.4542000000e-03 -4.7548000000e-03  4.9788000000e-03  6.0873000000e-03 -1.5500000000e-03 -2.6099000000e-03 -3.9070000000e-04  5.9869000000e-03 -2.6734000000e-03 -4.2334000000e-03
-
-JOB 22
-COORDS -8.9256900000e-01  7.8666600000e-01 -9.6186500000e-01 -6.9317500000e-01 -9.1124000000e-02 -1.2873780000e+00 -1.3585690000e+00  6.3743300000e-01 -1.3918300000e-01  8.3998800000e-01 -7.4248800000e-01  9.2500700000e-01  1.5774440000e+00 -1.2205620000e+00  1.3042620000e+00  1.2168520000e+00  8.7402000000e-02  6.3262500000e-01
-ENERGY -1.526589627740e+02
-FORCES -9.8480000000e-04 -7.6076000000e-03  4.0402000000e-03 -1.0103000000e-03  4.5508000000e-03 -8.9870000000e-04  1.0569000000e-03  2.5129000000e-03 -3.6908000000e-03  3.9431000000e-03  3.2292000000e-03 -1.2220000000e-04 -2.8764000000e-03  2.4813000000e-03 -2.2997000000e-03 -1.2850000000e-04 -5.1666000000e-03  2.9712000000e-03
-
-JOB 23
-COORDS -1.1696610000e+00  8.8869400000e-01 -4.1516300000e-01 -5.0525600000e-01  2.1641300000e-01 -2.6404600000e-01 -1.7995010000e+00  4.7521800000e-01 -1.0055620000e+00  1.1412520000e+00 -8.7177800000e-01  4.1198400000e-01  1.8599280000e+00 -2.8983200000e-01  1.6485000000e-01  8.5656000000e-01 -5.5145800000e-01  1.2678910000e+00
-ENERGY -1.526611096083e+02
-FORCES  3.8829000000e-03 -7.3203000000e-03 -1.3766000000e-03 -7.1458000000e-03  7.4758000000e-03  5.6560000000e-04  2.3940000000e-03  1.0988000000e-03  1.9917000000e-03  5.5122000000e-03  2.2038000000e-03  4.1801000000e-03 -4.4373000000e-03 -2.7157000000e-03  1.2234000000e-03 -2.0600000000e-04 -7.4240000000e-04 -6.5842000000e-03
-
-JOB 24
-COORDS -1.0068060000e+00  3.3907400000e-01  1.1391210000e+00 -1.2356230000e+00  2.8924500000e-01  2.1101000000e-01 -1.7690100000e-01 -1.3297800000e-01  1.2073680000e+00  9.6019600000e-01 -3.5054600000e-01 -1.0425360000e+00  7.6544900000e-01  5.8158200000e-01 -1.1397140000e+00  1.4121980000e+00 -5.8699300000e-01 -1.8524850000e+00
-ENERGY -1.526580177852e+02
-FORCES  4.2103000000e-03 -6.0010000000e-03 -5.2068000000e-03  7.4000000000e-06  3.5007000000e-03  2.7520000000e-03 -3.6830000000e-03  3.5332000000e-03  2.4934000000e-03  2.4974000000e-03  2.5427000000e-03 -3.9342000000e-03 -7.5610000000e-04 -5.3470000000e-03  4.6190000000e-04 -2.2760000000e-03  1.7713000000e-03  3.4337000000e-03
-
-JOB 25
-COORDS -5.0095200000e-01  1.4117490000e+00 -4.8606300000e-01  5.9814000000e-02  1.2864710000e+00 -1.2516200000e+00 -5.6470800000e-01  5.4246400000e-01 -9.0448000000e-02  4.5848200000e-01 -1.3064190000e+00  4.6549300000e-01  1.2659530000e+00 -1.8135280000e+00  5.4953700000e-01 -8.4485000000e-02 -1.5965170000e+00  1.1984740000e+00
-ENERGY -1.526586929964e+02
-FORCES  5.2632000000e-03 -8.6790000000e-03 -3.5590000000e-04 -1.8724000000e-03  1.9956000000e-03  1.5015000000e-03 -4.9808000000e-03  5.5269000000e-03 -1.6130000000e-04  3.4351000000e-03 -2.6882000000e-03  2.8075000000e-03 -3.9168000000e-03  1.3610000000e-03  1.4680000000e-04  2.0717000000e-03  2.4838000000e-03 -3.9386000000e-03
-
-JOB 26
-COORDS  1.9180000000e-03 -1.1751830000e+00  9.0205200000e-01 -3.4503500000e-01 -1.6072540000e+00  1.2155800000e-01  5.0102800000e-01 -1.8569140000e+00  1.3519010000e+00  2.0430000000e-03  1.2582720000e+00 -9.4967500000e-01 -7.0275500000e-01  1.5753850000e+00 -3.8493400000e-01  4.7164300000e-01  6.2042900000e-01 -4.1221400000e-01
-ENERGY -1.526601959588e+02
-FORCES -7.5760000000e-04 -5.9583000000e-03 -2.6080000000e-04  2.8024000000e-03  2.4903000000e-03  4.0664000000e-03 -2.4792000000e-03  2.8090000000e-03 -2.5722000000e-03 -4.3620000000e-04 -3.1853000000e-03  8.2785000000e-03  1.7445000000e-03 -2.5850000000e-04 -3.0407000000e-03 -8.7390000000e-04  4.1029000000e-03 -6.4713000000e-03
-
-JOB 27
-COORDS  6.4103500000e-01  7.9713700000e-01  1.2009030000e+00  5.1481600000e-01  1.6357600000e+00  7.5704200000e-01  3.8182700000e-01  1.4151900000e-01  5.5344100000e-01 -6.1813700000e-01 -8.0109400000e-01 -1.0641470000e+00 -1.3504420000e+00 -9.2341100000e-01 -1.6683000000e+00  1.4765100000e-01 -7.0843500000e-01 -1.6309050000e+00
-ENERGY -1.526588808003e+02
-FORCES -5.7117000000e-03 -1.6092000000e-03 -6.3755000000e-03  1.2003000000e-03 -2.2731000000e-03  1.5233000000e-03  6.7901000000e-03  3.5285000000e-03  3.6005000000e-03 -2.9202000000e-03 -9.6910000000e-04 -4.7476000000e-03  4.1037000000e-03  3.7790000000e-04  1.4520000000e-03 -3.4622000000e-03  9.4510000000e-04  4.5473000000e-03
-
-JOB 28
-COORDS -4.1195200000e-01 -2.3984600000e-01 -1.5228130000e+00  4.6878600000e-01 -6.0600100000e-01 -1.6032030000e+00 -5.4729900000e-01 -1.4503200000e-01 -5.7998500000e-01  3.9667100000e-01  2.3303800000e-01  1.4107970000e+00  7.7416900000e-01  4.6821600000e-01  2.2583920000e+00 -5.3909700000e-01  4.0971300000e-01  1.5075230000e+00
-ENERGY -1.526559465366e+02
-FORCES  6.8019000000e-03 -6.7160000000e-04  6.5105000000e-03 -3.2738000000e-03  6.7430000000e-04 -2.0204000000e-03 -5.1885000000e-03  5.9980000000e-04 -1.9162000000e-03 -7.7910000000e-04  2.5890000000e-03  5.2545000000e-03 -1.9535000000e-03 -9.1680000000e-04 -3.5893000000e-03  4.3930000000e-03 -2.2747000000e-03 -4.2392000000e-03
-
-JOB 29
-COORDS  3.3773100000e-01 -7.6653300000e-01 -1.3246370000e+00 -5.7060300000e-01 -5.9878700000e-01 -1.0735950000e+00  6.0780700000e-01 -1.5001490000e+00 -7.7228000000e-01 -3.3368500000e-01  8.0122500000e-01  1.3115740000e+00  2.3519300000e-01  6.1221000000e-02  1.0994300000e+00 -7.0554000000e-02  1.4891830000e+00  7.0025800000e-01
-ENERGY -1.526563834058e+02
-FORCES -4.7560000000e-03 -2.9085000000e-03  2.0864000000e-03  5.4089000000e-03 -7.5200000000e-04 -1.3977000000e-03 -6.9960000000e-04  5.0151000000e-03 -3.9810000000e-04  6.3290000000e-03  5.0260000000e-04 -5.6928000000e-03 -3.7044000000e-03  1.6400000000e-05  2.2188000000e-03 -2.5780000000e-03 -1.8736000000e-03  3.1834000000e-03
-
-JOB 30
-COORDS -4.9094100000e-01  1.3996290000e+00  5.2145300000e-01 -4.7559500000e-01  5.5854400000e-01  9.7815100000e-01 -1.4080250000e+00  1.5230620000e+00  2.7659900000e-01  4.7818600000e-01 -1.3565910000e+00 -5.4680100000e-01  1.0089310000e+00 -2.1346420000e+00 -3.7598300000e-01  1.0954110000e+00 -6.2735500000e-01 -4.8780200000e-01
-ENERGY -1.526581435930e+02
-FORCES -5.1391000000e-03 -5.1729000000e-03 -3.4700000000e-04  1.2869000000e-03  5.6895000000e-03 -4.7910000000e-04  3.2508000000e-03  1.8980000000e-04  1.5044000000e-03  5.1203000000e-03  1.0139000000e-03 -1.7261000000e-03 -2.3033000000e-03  3.8098000000e-03 -2.7060000000e-04 -2.2157000000e-03 -5.5301000000e-03  1.3183000000e-03
-
-JOB 31
-COORDS  1.3016460000e+00 -7.7836500000e-01  3.5021700000e-01  2.0018260000e+00 -2.0678600000e-01  3.5135000000e-02  1.7276150000e+00 -1.6236820000e+00  4.9241900000e-01 -1.3322510000e+00  8.4953500000e-01 -3.5807800000e-01 -2.0825230000e+00  3.9972200000e-01 -7.4665400000e-01 -1.0319100000e+00  2.6099000000e-01  3.3448400000e-01
-ENERGY -1.526576186601e+02
-FORCES  5.4544000000e-03  9.6500000000e-05 -2.1139000000e-03 -2.0039000000e-03 -3.3758000000e-03  1.9848000000e-03 -1.9383000000e-03  3.5679000000e-03 -8.7330000000e-04  1.2655000000e-03 -6.0542000000e-03  1.6789000000e-03  2.6004000000e-03  1.5435000000e-03  1.4099000000e-03 -5.3781000000e-03  4.2221000000e-03 -2.0863000000e-03
-
-JOB 32
-COORDS -2.4370400000e-01  1.3587580000e+00  9.3297600000e-01  5.6202000000e-01  1.3138270000e+00  1.4477790000e+00 -1.5064100000e-01  6.6459100000e-01  2.8051700000e-01  1.6530300000e-01 -1.2682000000e+00 -9.4807100000e-01  1.0869050000e+00 -1.4821190000e+00 -1.0933960000e+00 -1.5426800000e-01 -1.9625520000e+00 -3.7189300000e-01
-ENERGY -1.526600994447e+02
-FORCES  3.5050000000e-03 -5.2450000000e-03 -3.3950000000e-03 -2.6226000000e-03  4.0000000000e-05 -1.5586000000e-03 -1.0715000000e-03  7.0412000000e-03  6.4376000000e-03  2.3937000000e-03 -6.8397000000e-03 -4.5550000000e-04 -4.3437000000e-03  1.1857000000e-03  1.4440000000e-03  2.1391000000e-03  3.8179000000e-03 -2.4724000000e-03
-
-JOB 33
-COORDS  7.9124300000e-01 -9.7059600000e-01 -1.0780460000e+00 -1.2997800000e-01 -1.2136550000e+00 -1.1702660000e+00  1.0625610000e+00 -1.3678030000e+00 -2.5049200000e-01 -7.0410300000e-01  9.7590700000e-01  1.0126330000e+00 -1.4228020000e+00  1.3028870000e+00  4.7153400000e-01 -9.6266700000e-01  1.1888890000e+00  1.9093020000e+00
-ENERGY -1.526537094436e+02
-FORCES -3.8751000000e-03  4.7900000000e-05  6.5915000000e-03  3.1335000000e-03  3.1470000000e-04 -1.2599000000e-03  1.8560000000e-04 -3.9630000000e-04 -4.0686000000e-03 -3.6276000000e-03  3.6282000000e-03  1.6640000000e-04  2.5338000000e-03 -2.0584000000e-03  2.5634000000e-03  1.6498000000e-03 -1.5362000000e-03 -3.9928000000e-03
-
-JOB 34
-COORDS -1.4651140000e+00  6.7313400000e-01  5.5683800000e-01 -8.2719000000e-01  1.2821720000e+00  1.8487300000e-01 -1.1119260000e+00 -1.9440000000e-01  3.5967100000e-01  1.3529210000e+00 -6.6582900000e-01 -4.8286200000e-01  2.0448240000e+00 -1.3260000000e-02 -3.7490600000e-01  1.5580600000e+00 -1.0982110000e+00 -1.3118350000e+00
-ENERGY -1.526581891775e+02
-FORCES  7.2747000000e-03 -2.9404000000e-03 -3.3878000000e-03 -3.0167000000e-03  1.9330000000e-04  1.7839000000e-03 -5.2268000000e-03  2.8531000000e-03  1.6932000000e-03  5.4024000000e-03  2.5360000000e-04 -2.8703000000e-03 -3.4706000000e-03 -2.4789000000e-03 -9.9860000000e-04 -9.6310000000e-04  2.1194000000e-03  3.7795000000e-03
-
-JOB 35
-COORDS  1.9493500000e-01 -5.6024100000e-01 -1.5564680000e+00  1.1219560000e+00 -4.9341300000e-01 -1.7853730000e+00 -2.2475000000e-02  2.9426100000e-01 -1.1839210000e+00 -2.9405400000e-01  5.3736800000e-01  1.5630740000e+00 -2.2946500000e-01 -3.6632500000e-01  1.2542050000e+00  6.1276500000e-01  8.4008500000e-01  1.6107400000e+00
-ENERGY -1.526576911337e+02
-FORCES  1.7206000000e-03  5.1327000000e-03 -7.6160000000e-04 -3.7183000000e-03 -2.0780000000e-04  1.8464000000e-03  2.4068000000e-03 -5.1093000000e-03 -2.6127000000e-03  3.8519000000e-03 -4.6600000000e-03  5.3510000000e-04 -4.2660000000e-04  5.5055000000e-03  2.3889000000e-03 -3.8344000000e-03 -6.6110000000e-04 -1.3962000000e-03
-
-JOB 36
-COORDS -9.9027600000e-01  1.3652690000e+00 -5.3744000000e-01 -1.3000070000e+00  1.5779850000e+00  3.4292900000e-01 -6.2108400000e-01  4.8589500000e-01 -4.5600700000e-01  9.1357000000e-01 -1.3333520000e+00  4.7213200000e-01  1.4033620000e+00 -1.5379490000e+00  1.2686720000e+00  1.5783980000e+00 -1.0345470000e+00 -1.4831200000e-01
-ENERGY -1.526585730569e+02
-FORCES  7.2630000000e-04 -4.8214000000e-03  5.3160000000e-03  7.1040000000e-04  1.4590000000e-04 -3.2469000000e-03 -2.0793000000e-03  6.0341000000e-03 -3.3952000000e-03  6.3811000000e-03 -1.1922000000e-03  2.2519000000e-03 -1.6667000000e-03  6.6020000000e-04 -3.6697000000e-03 -4.0717000000e-03 -8.2660000000e-04  2.7439000000e-03
-
-JOB 37
-COORDS  1.4806090000e+00 -7.9292600000e-01  5.0227400000e-01  5.5004400000e-01 -5.7330200000e-01  5.4750800000e-01  1.4974930000e+00 -1.7421050000e+00  3.7977700000e-01 -1.4004330000e+00  8.3926200000e-01 -4.4780000000e-01 -1.7719360000e+00  4.8597000000e-02 -8.3903700000e-01 -1.6117530000e+00  1.5363650000e+00 -1.0687850000e+00
-ENERGY -1.526567033670e+02
-FORCES -4.7416000000e-03 -5.5230000000e-04 -3.5020000000e-04  5.4034000000e-03 -4.8176000000e-03  8.6870000000e-04 -5.4640000000e-04  3.6525000000e-03  9.3200000000e-05 -2.6798000000e-03  2.3574000000e-03 -5.7391000000e-03  2.6828000000e-03  2.6152000000e-03  2.6730000000e-03 -1.1850000000e-04 -3.2551000000e-03  2.4543000000e-03
-
-JOB 38
-COORDS -1.4062670000e+00 -8.2951500000e-01  4.4565000000e-01 -9.7271600000e-01 -1.3039410000e+00  1.1550050000e+00 -2.3323050000e+00 -1.0534660000e+00  5.3801600000e-01  1.4931960000e+00  8.4537100000e-01 -4.3823700000e-01  5.7085300000e-01  5.9734100000e-01 -5.0145500000e-01  1.6260850000e+00  1.4610690000e+00 -1.1589920000e+00
-ENERGY -1.526588504070e+02
-FORCES -3.1974000000e-03 -3.7632000000e-03  4.0392000000e-03 -2.5176000000e-03  2.0083000000e-03 -3.1983000000e-03  3.8922000000e-03  4.7730000000e-04  7.0100000000e-05 -4.8330000000e-03  6.4550000000e-04 -2.7681000000e-03  7.2104000000e-03  2.8155000000e-03 -7.1290000000e-04 -5.5450000000e-04 -2.1832000000e-03  2.5699000000e-03
-
-JOB 39
-COORDS  1.4217340000e+00 -9.0814800000e-01  4.3909800000e-01  1.8573280000e+00 -8.9802000000e-02  2.0077200000e-01  1.8179930000e+00 -1.1565530000e+00  1.2742660000e+00 -1.4928430000e+00  8.8322700000e-01 -5.5064800000e-01 -1.0607960000e+00  1.7732600000e-01 -6.9741000000e-02 -1.5576720000e+00  1.5993830000e+00  8.1134000000e-02
-ENERGY -1.526577745673e+02
-FORCES  5.9513000000e-03  1.3708000000e-03  1.8265000000e-03 -2.2983000000e-03 -3.6641000000e-03  1.9591000000e-03 -1.8377000000e-03  1.4499000000e-03 -3.6141000000e-03  2.0841000000e-03 -1.8246000000e-03  4.7413000000e-03 -4.4684000000e-03  5.1083000000e-03 -2.4533000000e-03  5.6910000000e-04 -2.4404000000e-03 -2.4594000000e-03
-
-JOB 40
-COORDS  1.6383620000e+00 -5.4550900000e-01 -2.0732200000e-01  1.6735560000e+00 -1.4630360000e+00  6.3117000000e-02  1.9405730000e+00 -5.5124900000e-01 -1.1155440000e+00 -1.7269670000e+00  5.8024100000e-01  2.3580200000e-01 -1.0174300000e+00  1.1406000000e-02  5.3449100000e-01 -1.3068840000e+00  1.4260230000e+00  7.9551000000e-02
-ENERGY -1.526575951005e+02
-FORCES  3.0614000000e-03 -4.0164000000e-03 -4.0855000000e-03 -9.8030000000e-04  4.2377000000e-03 -9.3400000000e-04 -8.3820000000e-04 -1.1360000000e-04  4.1204000000e-03  7.2879000000e-03  8.2640000000e-04  8.2600000000e-05 -5.7878000000e-03  1.3552000000e-03  4.0470000000e-04 -2.7431000000e-03 -2.2894000000e-03  4.1190000000e-04
-
-JOB 41
-COORDS -6.4459500000e-01 -1.6318020000e+00 -3.7290300000e-01  2.4437300000e-01 -1.9532750000e+00 -2.2249400000e-01 -6.4616700000e-01 -1.3495100000e+00 -1.2875290000e+00  6.2918200000e-01  1.6042000000e+00  4.4782100000e-01 -3.2752100000e-01  1.5930690000e+00  4.1905800000e-01  8.8188900000e-01  2.2432930000e+00 -2.1846100000e-01
-ENERGY -1.526550106064e+02
-FORCES  5.5220000000e-03  6.0560000000e-04 -2.4109000000e-03 -4.0377000000e-03 -6.9300000000e-05 -1.1390000000e-03 -7.1300000000e-04 -9.8650000000e-04  3.3946000000e-03 -4.1046000000e-03  1.6720000000e-03 -1.9134000000e-03  4.3161000000e-03  1.8867000000e-03 -1.9750000000e-04 -9.8290000000e-04 -3.1085000000e-03  2.2663000000e-03
-
-JOB 42
-COORDS -1.4562820000e+00  7.4865200000e-01 -6.2317200000e-01 -2.0962770000e+00  3.6729500000e-01 -1.2241750000e+00 -1.9515140000e+00  9.1963600000e-01  1.7791600000e-01  1.5254330000e+00 -7.8306100000e-01  6.6479700000e-01  2.1958450000e+00 -1.6714600000e-01  3.6911600000e-01  7.7090700000e-01 -6.0414000000e-01  1.0362700000e-01
-ENERGY -1.526588210315e+02
-FORCES -6.7292000000e-03  6.4120000000e-04  7.7740000000e-04  2.8605000000e-03  1.5881000000e-03  2.7973000000e-03  1.9570000000e-03 -8.8310000000e-04 -3.9430000000e-03 -2.0229000000e-03  4.2682000000e-03 -4.3253000000e-03 -1.9620000000e-03 -2.4428000000e-03  1.3074000000e-03  5.8966000000e-03 -3.1717000000e-03  3.3862000000e-03
-
-JOB 43
-COORDS  6.0790400000e-01 -7.1001800000e-01  1.5329140000e+00  1.3283480000e+00 -1.3306190000e+00  1.4231490000e+00  1.0076600000e+00  1.4865200000e-01  1.3946660000e+00 -7.3223200000e-01  7.2698200000e-01 -1.5336210000e+00 -1.3367600000e-01  9.6723200000e-01 -8.2634300000e-01 -2.8362000000e-01  2.0374000000e-02 -1.9980390000e+00
-ENERGY -1.526530384878e+02
-FORCES  4.7513000000e-03  4.0000000000e-07  8.7490000000e-04 -3.3253000000e-03  2.8745000000e-03  6.3200000000e-05 -2.5896000000e-03 -3.2430000000e-03 -1.6480000000e-03  3.7819000000e-03 -3.9543000000e-03  2.6275000000e-03 -1.0462000000e-03  1.0184000000e-03 -2.8852000000e-03 -1.5721000000e-03  3.3041000000e-03  9.6750000000e-04
-
-JOB 44
-COORDS  1.7859900000e+00 -5.2170000000e-02  3.5902000000e-01  1.0008700000e+00 -2.1251700000e-01 -1.6453200000e-01  2.4055620000e+00 -7.2401500000e-01  7.4435000000e-02 -1.7381250000e+00  1.2854800000e-01 -3.6343000000e-01 -2.1551430000e+00  5.6449500000e-01  3.7972500000e-01 -1.9081990000e+00 -8.0269700000e-01 -2.2169100000e-01
-ENERGY -1.526574310418e+02
-FORCES -2.1543000000e-03 -2.0244000000e-03 -3.8797000000e-03  6.6198000000e-03 -1.3401000000e-03  2.6313000000e-03 -2.7263000000e-03  2.3191000000e-03  1.1011000000e-03 -4.9240000000e-03 -6.3990000000e-04  4.5586000000e-03  1.1627000000e-03 -2.2738000000e-03 -3.5222000000e-03  2.0222000000e-03  3.9591000000e-03 -8.8920000000e-04
-
-JOB 45
-COORDS  1.0286010000e+00  2.5617500000e-01 -1.4124000000e+00  1.1322370000e+00  7.5177600000e-01 -2.2247240000e+00  1.9153420000e+00 -2.6790000000e-02 -1.1891200000e+00 -1.1333390000e+00 -2.8942300000e-01  1.4713520000e+00 -6.7310400000e-01 -6.4236400000e-01  7.0987400000e-01 -6.0536100000e-01  4.6086200000e-01  1.7443780000e+00
-ENERGY -1.526574446121e+02
-FORCES  4.2034000000e-03  1.7421000000e-03 -4.4868000000e-03  2.6580000000e-04 -2.1668000000e-03  3.4683000000e-03 -4.1997000000e-03  1.1915000000e-03 -4.2910000000e-04  4.5812000000e-03  2.4737000000e-03 -4.3515000000e-03 -2.7015000000e-03 -4.2460000000e-04  5.4676000000e-03 -2.1492000000e-03 -2.8159000000e-03  3.3150000000e-04
-
-JOB 46
-COORDS  1.7041210000e+00  5.4081700000e-01  4.8188700000e-01  9.7384000000e-01  5.3331400000e-01  1.1006480000e+00  2.1647080000e+00 -2.8242500000e-01  6.4425200000e-01 -1.7026750000e+00 -4.4098400000e-01 -4.9981200000e-01 -2.1191160000e+00 -1.2793500000e+00 -2.9993600000e-01 -1.0368910000e+00 -6.5362000000e-01 -1.1538370000e+00
-ENERGY -1.526561137533e+02
-FORCES -2.2038000000e-03 -2.6589000000e-03  4.0213000000e-03  4.8643000000e-03  7.3700000000e-05 -1.8957000000e-03 -1.9795000000e-03  3.0131000000e-03 -1.1295000000e-03  1.0888000000e-03 -3.7622000000e-03 -3.3774000000e-03  2.1342000000e-03  3.4274000000e-03 -4.5510000000e-04 -3.9040000000e-03 -9.3100000000e-05  2.8364000000e-03
-
-JOB 47
-COORDS  1.4789250000e+00  8.9529200000e-01 -5.3365700000e-01  2.3027460000e+00  1.2017130000e+00 -9.1267800000e-01  1.7355080000e+00  1.8862400000e-01  5.8810000000e-02 -1.5197910000e+00 -9.2707800000e-01  5.0751800000e-01 -1.1327420000e+00 -7.3864000000e-02  3.1143000000e-01 -2.3479840000e+00 -7.2100300000e-01  9.4094700000e-01
-ENERGY -1.526571994085e+02
-FORCES  5.7686000000e-03 -1.6513000000e-03 -1.4320000000e-04 -3.0232000000e-03 -1.4503000000e-03  1.7949000000e-03 -1.4604000000e-03  3.8751000000e-03 -2.4587000000e-03 -1.8220000000e-03  5.0531000000e-03 -7.7700000000e-05 -2.6526000000e-03 -5.0224000000e-03  2.5925000000e-03  3.1895000000e-03 -8.0420000000e-04 -1.7076000000e-03
-
-JOB 48
-COORDS  1.3668050000e+00 -6.9293200000e-01  1.0376960000e+00  1.4485450000e+00 -1.6293230000e+00  1.2185840000e+00  6.6945100000e-01 -3.9559400000e-01  1.6220920000e+00 -1.3675760000e+00  6.9824300000e-01 -1.1372270000e+00 -1.7737420000e+00  9.5120800000e-01 -3.0821000000e-01 -4.3146500000e-01  8.4349700000e-01 -1.0000080000e+00
-ENERGY -1.526553943337e+02
-FORCES -2.1430000000e-03 -4.4424000000e-03  3.4033000000e-03 -1.3240000000e-04  4.0615000000e-03 -2.3520000000e-04  2.5784000000e-03 -2.5590000000e-04 -3.0166000000e-03  3.6204000000e-03  1.0415000000e-03  3.5616000000e-03  1.5492000000e-03 -1.2492000000e-03 -2.7204000000e-03 -5.4727000000e-03  8.4450000000e-04 -9.9270000000e-04
-
-JOB 49
-COORDS  1.6025670000e+00 -1.0713300000e+00  2.0910500000e-01  1.5261610000e+00 -8.6419300000e-01 -7.2228500000e-01  7.0476400000e-01 -1.0303640000e+00  5.3850400000e-01 -1.5406210000e+00  1.0528410000e+00 -2.3434400000e-01 -2.3575370000e+00  1.2629010000e+00  2.1815400000e-01 -9.0212300000e-01  9.2938500000e-01  4.6801700000e-01
-ENERGY -1.526549319875e+02
-FORCES -4.0339000000e-03 -2.5820000000e-04 -4.0472000000e-03  1.0465000000e-03 -9.3230000000e-04  4.3825000000e-03  3.7835000000e-03  1.7074000000e-03  1.3720000000e-04 -1.7388000000e-03  2.2798000000e-03  4.8384000000e-03  3.6659000000e-03 -9.6710000000e-04 -1.8792000000e-03 -2.7231000000e-03 -1.8295000000e-03 -3.4317000000e-03
-
-JOB 50
-COORDS  9.1592900000e-01  1.2841730000e+00  1.1967690000e+00  3.8220700000e-01  6.6419400000e-01  1.6937590000e+00  8.4028900000e-01  9.9171000000e-01  2.8848700000e-01 -8.9197100000e-01 -1.2514980000e+00 -1.1166500000e+00 -8.3435000000e-02 -1.3726830000e+00 -1.6144600000e+00 -1.4547870000e+00 -7.3640600000e-01 -1.6947060000e+00
-ENERGY -1.526563276692e+02
-FORCES -3.7993000000e-03 -5.0456000000e-03 -1.9695000000e-03  2.6902000000e-03  3.2143000000e-03 -8.1370000000e-04  1.9302000000e-03  2.5025000000e-03  3.0014000000e-03 -5.3710000000e-04 -2.9810000000e-04 -5.7704000000e-03 -3.2277000000e-03  1.6329000000e-03  2.8526000000e-03  2.9437000000e-03 -2.0060000000e-03  2.6994000000e-03
-
-JOB 51
-COORDS  1.3142440000e+00  7.2871800000e-01  1.3040310000e+00  8.1233400000e-01 -7.3789000000e-02  1.4465110000e+00  7.9913100000e-01  1.4130070000e+00  1.7313950000e+00 -1.2469850000e+00 -7.9386500000e-01 -1.3293480000e+00 -2.0285810000e+00 -2.7203300000e-01 -1.1476060000e+00 -5.9940300000e-01 -1.5810500000e-01 -1.6337800000e+00
-ENERGY -1.526559662216e+02
-FORCES -4.1312000000e-03 -1.4492000000e-03  2.8857000000e-03  2.6789000000e-03  4.1491000000e-03  6.5800000000e-05  1.9369000000e-03 -2.5710000000e-03 -2.0560000000e-03 -8.9700000000e-05  5.0815000000e-03 -1.5667000000e-03  3.1876000000e-03 -2.1702000000e-03 -2.8040000000e-04 -3.5825000000e-03 -3.0403000000e-03  9.5160000000e-04
-
-JOB 52
-COORDS -2.8355500000e-01  1.7368310000e+00  9.7746200000e-01  4.3715600000e-01  1.3387450000e+00  1.4656580000e+00  1.2660600000e-01  2.4414860000e+00  4.7600300000e-01  2.7607300000e-01 -1.7760690000e+00 -9.6410600000e-01  6.0487000000e-02 -1.1253650000e+00 -1.6321920000e+00 -5.6290300000e-01 -1.9857490000e+00 -5.5375800000e-01
-ENERGY -1.526554017883e+02
-FORCES  5.2853000000e-03  8.1570000000e-04  3.1890000000e-04 -3.2126000000e-03  2.3461000000e-03 -1.5941000000e-03 -1.8189000000e-03 -2.8818000000e-03  1.7558000000e-03 -5.1267000000e-03  2.8126000000e-03 -6.1870000000e-04  1.3353000000e-03 -3.0952000000e-03  1.9417000000e-03  3.5375000000e-03  2.5000000000e-06 -1.8037000000e-03
-
-JOB 53
-COORDS  1.5509770000e+00  8.5164200000e-01 -1.1474650000e+00  2.1690910000e+00  1.4188600000e-01 -9.7306900000e-01  7.8469700000e-01  6.3884500000e-01 -6.1477100000e-01 -1.4781590000e+00 -7.9885000000e-01  1.1019880000e+00 -1.9954270000e+00 -6.7777000000e-01  1.8982330000e+00 -2.1263860000e+00 -9.6581800000e-01  4.1776900000e-01
-ENERGY -1.526570053719e+02
-FORCES -1.2683000000e-03 -4.1123000000e-03  3.9853000000e-03 -1.9485000000e-03  2.8301000000e-03 -1.0683000000e-03  4.0954000000e-03  1.7909000000e-03 -3.9161000000e-03 -5.8586000000e-03 -7.2710000000e-04  1.6437000000e-03  1.9029000000e-03 -7.4880000000e-04 -3.4872000000e-03  3.0771000000e-03  9.6720000000e-04  2.8426000000e-03
-
-JOB 54
-COORDS -1.2860780000e+00  8.4937400000e-01 -1.4849010000e+00 -3.5670600000e-01  6.4203600000e-01 -1.5824170000e+00 -1.5620510000e+00  3.5676400000e-01 -7.1198000000e-01  1.1865490000e+00 -8.0875600000e-01  1.4380450000e+00  1.7243890000e+00 -1.5216850000e+00  1.7825630000e+00  1.8127390000e+00 -1.1643900000e-01  1.2263480000e+00
-ENERGY -1.526559210918e+02
-FORCES  2.8511000000e-03 -3.8142000000e-03  3.6632000000e-03 -3.3428000000e-03  1.6781000000e-03 -3.7590000000e-04  1.4270000000e-04  2.5792000000e-03 -3.8164000000e-03  5.3907000000e-03 -5.5290000000e-04  1.8097000000e-03 -2.1275000000e-03  3.1441000000e-03 -1.4704000000e-03 -2.9142000000e-03 -3.0342000000e-03  1.8980000000e-04
-
-JOB 55
-COORDS  8.8331800000e-01  1.8241910000e+00  3.6071500000e-01  3.1174900000e-01  2.3035740000e+00  9.6049300000e-01  1.6311130000e+00  1.5637570000e+00  8.9849600000e-01 -9.4815100000e-01 -1.8722590000e+00 -4.1978000000e-01 -3.0446500000e-01 -1.9151910000e+00  2.8736700000e-01 -6.0605000000e-01 -1.2057440000e+00 -1.0155630000e+00
-ENERGY -1.526556975528e+02
-FORCES  6.2550000000e-04  2.2691000000e-03  5.0104000000e-03  2.7021000000e-03 -2.0362000000e-03 -2.4556000000e-03 -3.3281000000e-03  4.7980000000e-04 -2.3435000000e-03  4.3957000000e-03  3.9472000000e-03  3.5330000000e-04 -2.5416000000e-03 -6.6500000000e-04 -2.3465000000e-03 -1.8536000000e-03 -3.9948000000e-03  1.7819000000e-03
-
-JOB 56
-COORDS  1.9307380000e+00  2.8834100000e-01  8.9858400000e-01  2.2704840000e+00 -4.1478700000e-01  3.4503600000e-01  1.1581910000e+00  6.0844000000e-01  4.3281700000e-01 -1.9157270000e+00 -3.2213900000e-01 -8.0756000000e-01 -1.0918350000e+00  1.2488500000e-01 -1.0014750000e+00 -2.5863230000e+00  2.1931900000e-01 -1.2239210000e+00
-ENERGY -1.526526230591e+02
-FORCES -1.7791000000e-03 -2.2337000000e-03 -3.2726000000e-03 -1.4955000000e-03  3.3804000000e-03  2.0760000000e-03  2.8543000000e-03 -1.0891000000e-03  4.7530000000e-04 -6.3310000000e-04  4.0938000000e-03 -2.9981000000e-03 -1.9305000000e-03 -1.6950000000e-03  1.9035000000e-03  2.9839000000e-03 -2.4563000000e-03  1.8159000000e-03
-
-JOB 57
-COORDS  1.3904730000e+00  1.1849700000e+00 -1.0353200000e+00  1.9912490000e+00  1.5652310000e+00 -1.6761810000e+00  1.9372120000e+00  1.0066620000e+00 -2.7013100000e-01 -1.4261280000e+00 -1.2302740000e+00  1.0745130000e+00 -2.3249190000e+00 -9.0114600000e-01  1.0835150000e+00 -1.0914840000e+00 -9.9073500000e-01  2.1029900000e-01
-ENERGY -1.526560942182e+02
-FORCES  5.2821000000e-03  1.3631000000e-03  5.9120000000e-04 -2.3751000000e-03 -1.5098000000e-03  2.7262000000e-03 -2.2244000000e-03  7.1860000000e-04 -3.6130000000e-03 -2.0035000000e-03  2.9228000000e-03 -4.1163000000e-03  3.3461000000e-03 -1.4844000000e-03  1.1860000000e-04 -2.0252000000e-03 -2.0103000000e-03  4.2933000000e-03
-
-JOB 58
-COORDS  1.6871720000e+00 -1.3463250000e+00  3.7241300000e-01  2.3683010000e+00 -7.5618100000e-01  6.9494000000e-01  9.3788600000e-01 -7.7630400000e-01  1.9955800000e-01 -1.7134830000e+00  1.2355280000e+00 -4.2510000000e-01 -1.9073050000e+00  1.4138720000e+00  4.9514900000e-01 -1.0066280000e+00  1.8428740000e+00 -6.4354900000e-01
-ENERGY -1.526550001748e+02
-FORCES -1.0580000000e-03  4.3129000000e-03  1.4050000000e-04 -2.8563000000e-03 -2.1114000000e-03 -1.2789000000e-03  4.7259000000e-03 -2.2623000000e-03  1.4216000000e-03 -2.1200000000e-05  4.6010000000e-03  2.3353000000e-03  1.5214000000e-03 -1.0421000000e-03 -4.0396000000e-03 -2.3119000000e-03 -3.4980000000e-03  1.4211000000e-03
-
-JOB 59
-COORDS  1.8828930000e+00 -3.9091500000e-01 -1.0642280000e+00  1.3466640000e+00 -7.9142300000e-01 -1.7485410000e+00  1.9836780000e+00 -1.0779600000e+00 -4.0540800000e-01 -1.8619980000e+00  4.5949700000e-01  1.1366580000e+00 -2.5168170000e+00 -6.2146000000e-02  6.7261900000e-01 -1.2018600000e+00  6.6113100000e-01  4.7348900000e-01
-ENERGY -1.526551844008e+02
-FORCES -1.3960000000e-04 -5.1783000000e-03 -2.6430000000e-04  1.5422000000e-03  2.1030000000e-03  3.2086000000e-03 -6.9280000000e-04  3.0426000000e-03 -3.0760000000e-03  5.0240000000e-04 -5.6530000000e-04 -4.6507000000e-03  2.7534000000e-03  1.8500000000e-03  1.7911000000e-03 -3.9656000000e-03 -1.2520000000e-03  2.9913000000e-03
-
-JOB 60
-COORDS -9.6292400000e-01 -2.0383360000e+00  3.3880800000e-01 -9.7025900000e-01 -1.2937630000e+00  9.4029700000e-01 -1.0266500000e+00 -1.6445700000e+00 -5.3131800000e-01  9.3991300000e-01  1.9358590000e+00 -2.5971600000e-01  1.2182700000e+00  1.5219540000e+00 -1.0766810000e+00  1.0925540000e+00  2.8703440000e+00 -3.9997100000e-01
-ENERGY -1.526552726771e+02
-FORCES -9.6200000000e-05  5.5256000000e-03 -6.5120000000e-04 -4.7210000000e-04 -3.9109000000e-03 -2.2677000000e-03  3.5230000000e-04 -2.0443000000e-03  2.9315000000e-03  2.5926000000e-03  2.8420000000e-03 -3.8152000000e-03 -1.7615000000e-03  1.5292000000e-03  3.3345000000e-03 -6.1510000000e-04 -3.9417000000e-03  4.6810000000e-04
-
-JOB 61
-COORDS -3.8015400000e-01 -2.0130680000e+00  9.6602600000e-01 -8.9791900000e-01 -2.5454590000e+00  3.6211400000e-01 -1.2719200000e-01 -1.2456040000e+00  4.5295500000e-01  3.8987500000e-01  1.9921730000e+00 -8.3203800000e-01  9.6190600000e-01  1.5098190000e+00 -1.4289860000e+00 -7.5809000000e-02  2.6115510000e+00 -1.3939460000e+00
-ENERGY -1.526550285240e+02
-FORCES -1.3468000000e-03  2.0287000000e-03 -4.2152000000e-03  2.1527000000e-03  1.9780000000e-03  2.2949000000e-03 -5.8230000000e-04 -4.7252000000e-03  1.7554000000e-03  6.3180000000e-04  2.2974000000e-03 -4.9486000000e-03 -2.9634000000e-03  1.1337000000e-03  2.8756000000e-03  2.1079000000e-03 -2.7127000000e-03  2.2379000000e-03
-
-JOB 62
-COORDS  1.7640980000e+00 -1.3775360000e+00 -5.5179100000e-01  1.0232560000e+00 -8.2787900000e-01 -8.0725600000e-01  2.0616700000e+00 -1.0080030000e+00  2.7955000000e-01 -1.7149580000e+00  1.3529720000e+00  4.6115700000e-01 -1.7147010000e+00  1.6709950000e+00  1.3639820000e+00 -2.1455560000e+00  4.9935200000e-01  5.0752800000e-01
-ENERGY -1.526554922803e+02
-FORCES -1.8934000000e-03  4.6965000000e-03  2.0988000000e-03  3.2188000000e-03 -3.3987000000e-03  8.7690000000e-04 -9.7020000000e-04 -1.9052000000e-03 -3.0634000000e-03 -3.0854000000e-03 -1.3829000000e-03  4.2962000000e-03  1.9140000000e-04 -1.4987000000e-03 -3.8177000000e-03  2.5388000000e-03  3.4890000000e-03 -3.9090000000e-04
-
-JOB 63
-COORDS -1.7186000000e-02 -1.4582300000e-01 -2.2554270000e+00  7.2722700000e-01  6.9442000000e-02 -2.8173360000e+00  3.6771200000e-01 -2.8555000000e-01 -1.3902330000e+00 -3.7664000000e-02  1.9520700000e-01  2.2443610000e+00 -8.7940500000e-01 -2.5909900000e-01  2.2805550000e+00  6.0910500000e-01 -5.0466200000e-01  2.1543410000e+00
-ENERGY -1.526545390471e+02
-FORCES  4.5360000000e-03  1.1952000000e-03  1.6352000000e-03 -2.9717000000e-03 -1.0407000000e-03  2.2234000000e-03 -1.3253000000e-03 -5.6410000000e-04 -4.1227000000e-03 -1.5590000000e-03 -4.5128000000e-03  1.1761000000e-03  3.8925000000e-03  1.8060000000e-03 -2.3290000000e-04 -2.5725000000e-03  3.1164000000e-03 -6.7910000000e-04
-
-JOB 64
-COORDS  1.3794780000e+00  1.1960200000e-01 -1.8588710000e+00  6.4468500000e-01 -4.2778200000e-01 -1.5819550000e+00  1.1981770000e+00  9.7719100000e-01 -1.4742910000e+00 -1.3638790000e+00 -9.9089000000e-02  1.8689440000e+00 -7.4312700000e-01 -8.0108000000e-01  2.0641560000e+00 -1.3790950000e+00 -5.1122000000e-02  9.1306800000e-01
-ENERGY -1.526531602790e+02
-FORCES -3.1619000000e-03  1.7259000000e-03  2.0968000000e-03  2.5898000000e-03  2.3392000000e-03 -3.2700000000e-04  4.1380000000e-04 -4.0968000000e-03 -1.5967000000e-03  2.1550000000e-03 -3.0280000000e-03 -2.2635000000e-03 -2.7601000000e-03  3.1237000000e-03 -1.2181000000e-03  7.6330000000e-04 -6.3900000000e-05  3.3086000000e-03
-
-JOB 65
-COORDS -7.0325800000e-01  1.0374450000e+00 -1.8465010000e+00 -8.8750100000e-01  1.5365670000e+00 -2.6422170000e+00 -1.2090300000e+00  1.4785880000e+00 -1.1639910000e+00  7.2662300000e-01 -1.0245450000e+00  1.8384710000e+00  1.4458250000e+00 -1.5819620000e+00  1.5413740000e+00  2.0804300000e-01 -1.5877560000e+00  2.4130150000e+00
-ENERGY -1.526539494630e+02
-FORCES -2.6684000000e-03  3.7760000000e-03  4.9910000000e-04  8.3130000000e-04 -2.1410000000e-03  3.1666000000e-03  1.5943000000e-03 -1.4245000000e-03 -3.4629000000e-03  1.0508000000e-03 -4.7768000000e-03  2.5610000000e-04 -2.7977000000e-03  2.1096000000e-03  1.7608000000e-03  1.9897000000e-03  2.4567000000e-03 -2.2197000000e-03
-
-JOB 66
-COORDS -1.1032840000e+00 -4.1816000000e-01 -1.8659240000e+00 -1.7187940000e+00 -1.0049350000e+00 -2.3053270000e+00 -6.0591700000e-01 -1.5382000000e-02 -2.5777020000e+00  1.1022890000e+00  4.0418500000e-01  1.8848980000e+00  1.3678080000e+00 -5.0200000000e-04  2.7107060000e+00  1.0534460000e+00  1.3398200000e+00  2.0809390000e+00
-ENERGY -1.526529039861e+02
-FORCES  6.5200000000e-05 -8.3500000000e-04 -4.3739000000e-03  2.4493000000e-03  2.3962000000e-03  1.8716000000e-03 -2.2617000000e-03 -1.5283000000e-03  2.7337000000e-03  2.9980000000e-04  2.1287000000e-03  3.9086000000e-03 -1.0249000000e-03  1.5991000000e-03 -3.3988000000e-03  4.7240000000e-04 -3.7607000000e-03 -7.4110000000e-04
-
-JOB 67
-COORDS -8.6824500000e-01  1.6179060000e+00  1.3526220000e+00 -1.6711140000e+00  1.2587170000e+00  9.7497500000e-01 -6.2908200000e-01  2.3372890000e+00  7.6822400000e-01  9.4716500000e-01 -1.6488960000e+00 -1.3412230000e+00  6.5367100000e-01 -7.8099100000e-01 -1.0640320000e+00  3.2952100000e-01 -2.2537130000e+00 -9.3019500000e-01
-ENERGY -1.526546718524e+02
-FORCES -2.9697000000e-03  2.8868000000e-03 -2.7563000000e-03  3.9923000000e-03  8.9080000000e-04  1.1323000000e-03 -8.8780000000e-04 -3.6301000000e-03  2.1611000000e-03 -3.3114000000e-03  1.2240000000e-03  3.7961000000e-03  9.1900000000e-04 -3.6882000000e-03 -2.3165000000e-03  2.2575000000e-03  2.3166000000e-03 -2.0166000000e-03
-
-JOB 68
-COORDS -7.5365000000e-01  1.7269440000e+00 -1.3304610000e+00 -1.3434500000e+00  2.0782350000e+00 -1.9975160000e+00 -1.3276540000e+00  1.2550700000e+00 -7.2706500000e-01  8.6835700000e-01 -1.7032940000e+00  1.3707400000e+00  6.3786300000e-01 -2.5701860000e+00  1.0366710000e+00  1.4009000000e-01 -1.1420700000e+00  1.1044940000e+00
-ENERGY -1.526532331159e+02
-FORCES -4.8940000000e-03  2.9530000000e-04 -7.4750000000e-04  2.5018000000e-03 -1.5221000000e-03  2.8387000000e-03  2.8248000000e-03  1.0171000000e-03 -2.0341000000e-03 -3.3955000000e-03 -1.0128000000e-03 -2.9865000000e-03  8.1610000000e-04  3.5431000000e-03  1.5178000000e-03  2.1469000000e-03 -2.3206000000e-03  1.4116000000e-03
-
-JOB 69
-COORDS  1.0519860000e+00  1.0913500000e+00 -1.9265260000e+00  1.8795870000e+00  6.1520600000e-01 -1.8587340000e+00  5.1432500000e-01  5.5616600000e-01 -2.5102470000e+00 -1.1149030000e+00 -1.0239990000e+00  1.9025640000e+00 -1.2974590000e+00 -1.4547690000e+00  2.7376340000e+00 -1.7104900000e-01 -8.6525700000e-01  1.9157030000e+00
-ENERGY -1.526541366335e+02
-FORCES  5.9840000000e-04 -4.1378000000e-03 -2.4028000000e-03 -3.3124000000e-03  1.9085000000e-03  8.3200000000e-05  2.5613000000e-03  2.2770000000e-03  2.1826000000e-03  3.2242000000e-03 -4.8850000000e-04  3.3641000000e-03  7.4030000000e-04  1.7006000000e-03 -3.4453000000e-03 -3.8117000000e-03 -1.2599000000e-03  2.1830000000e-04
-
-JOB 70
-COORDS  1.0385040000e+00  5.5147100000e-01  2.1960210000e+00  1.7379040000e+00  1.2047020000e+00  2.2150060000e+00  3.7451700000e-01  9.2752200000e-01  1.6181470000e+00 -1.0229170000e+00 -5.6438500000e-01 -2.2098390000e+00 -4.5511200000e-01 -1.1496620000e+00 -1.7085610000e+00 -1.9078430000e+00 -7.7553000000e-01 -1.9122570000e+00
-ENERGY -1.526550285107e+02
-FORCES  2.7780000000e-04  4.6825000000e-03 -2.2718000000e-03 -2.8302000000e-03 -2.7025000000e-03  2.4100000000e-05  2.6914000000e-03 -1.9584000000e-03  2.6386000000e-03 -1.2532000000e-03 -3.9530000000e-03  2.8086000000e-03 -2.5461000000e-03  2.7946000000e-03 -2.1242000000e-03  3.6604000000e-03  1.1368000000e-03 -1.0752000000e-03
-
-JOB 71
-COORDS -2.2556720000e+00 -1.1462240000e+00  2.8479400000e-01 -1.5174350000e+00 -7.5106700000e-01  7.4857000000e-01 -2.2111420000e+00 -7.7605000000e-01 -5.9680800000e-01  2.1597270000e+00  1.0960850000e+00 -2.2422200000e-01  2.7661800000e+00  4.1301600000e-01 -5.1034000000e-01  2.5525410000e+00  1.9115550000e+00 -5.3557200000e-01
-ENERGY -1.526554617866e+02
-FORCES  3.7926000000e-03  3.6189000000e-03 -1.6425000000e-03 -3.6000000000e-03 -2.1214000000e-03 -1.6071000000e-03 -6.2320000000e-04 -1.7434000000e-03  3.2957000000e-03  4.6986000000e-03  8.3680000000e-04 -2.3925000000e-03 -2.6605000000e-03  2.8486000000e-03  1.1419000000e-03 -1.6075000000e-03 -3.4394000000e-03  1.2045000000e-03
-
-JOB 72
-COORDS  2.4317870000e+00  4.1607000000e-01  4.4607900000e-01  3.0549850000e+00 -1.4477700000e-01  9.0793200000e-01  1.6811970000e+00  4.7810900000e-01  1.0368400000e+00 -2.4646060000e+00 -4.3460300000e-01 -4.6995100000e-01 -1.6230700000e+00 -5.6761500000e-01 -9.0625000000e-01 -2.6676330000e+00  4.8923700000e-01 -6.1668700000e-01
-ENERGY -1.526549865301e+02
-FORCES -5.2900000000e-05 -2.0471000000e-03  4.7823000000e-03 -2.5583000000e-03  2.3342000000e-03 -1.9193000000e-03  3.0097000000e-03 -2.0550000000e-04 -2.9181000000e-03  2.4641000000e-03  3.1251000000e-03 -3.0709000000e-03 -3.7065000000e-03  5.4900000000e-04  2.2644000000e-03  8.4380000000e-04 -3.7557000000e-03  8.6160000000e-04
-
-JOB 73
-COORDS  1.0648960000e+00  7.3481800000e-01  2.1581920000e+00  8.5554300000e-01  1.4393250000e+00  2.7714410000e+00  7.6608500000e-01  1.0593890000e+00  1.3087240000e+00 -1.0917380000e+00 -7.7935100000e-01 -2.1054940000e+00 -6.4655000000e-01 -1.0853000000e-01 -2.6232170000e+00 -6.0375700000e-01 -1.5832790000e+00 -2.2838370000e+00
-ENERGY -1.526544485826e+02
-FORCES -2.7186000000e-03  3.8827000000e-03 -1.1671000000e-03  9.6140000000e-04 -2.7807000000e-03 -2.4436000000e-03  1.9095000000e-03 -8.3940000000e-04  3.6387000000e-03  3.6429000000e-03 -1.2996000000e-03 -3.1214000000e-03 -1.7414000000e-03 -2.4460000000e-03  2.5484000000e-03 -2.0538000000e-03  3.4828000000e-03  5.4510000000e-04
-
-JOB 74
-COORDS  1.4573920000e+00 -9.1721000000e-02  2.0606870000e+00  1.6354140000e+00  5.5595100000e-01  1.3787320000e+00  2.0415080000e+00 -8.2201100000e-01  1.8564400000e+00 -1.5671710000e+00  1.2869700000e-01 -2.0058870000e+00 -1.3302950000e+00 -7.9494300000e-01 -1.9221560000e+00 -7.4952000000e-01  5.6547400000e-01 -2.2444320000e+00
-ENERGY -1.526535574290e+02
-FORCES  2.9964000000e-03 -5.1400000000e-05 -3.2412000000e-03 -5.5240000000e-04 -2.8569000000e-03  2.5309000000e-03 -2.5272000000e-03  2.9654000000e-03  5.9870000000e-04  3.9690000000e-03 -2.1976000000e-03 -3.5960000000e-04 -8.0940000000e-04  3.8512000000e-03 -6.4190000000e-04 -3.0765000000e-03 -1.7107000000e-03  1.1131000000e-03
-
-JOB 75
-COORDS  1.4973230000e+00 -1.8851880000e+00  8.4805800000e-01  1.1127890000e+00 -1.0110630000e+00  7.8269400000e-01  2.3644990000e+00 -1.7382630000e+00  1.2257480000e+00 -1.5367970000e+00  1.8293090000e+00 -7.9926300000e-01 -1.7961070000e+00  1.1294320000e+00 -1.3985640000e+00 -1.0913160000e+00  2.4685700000e+00 -1.3552530000e+00
-ENERGY -1.526551048591e+02
-FORCES  1.6214000000e-03  4.4702000000e-03  1.5529000000e-03  2.0879000000e-03 -4.1422000000e-03  1.0380000000e-04 -3.3813000000e-03 -6.4010000000e-04 -1.5773000000e-03 -3.6900000000e-05  9.2100000000e-05 -5.1608000000e-03  1.3606000000e-03  2.9603000000e-03  2.6496000000e-03 -1.6516000000e-03 -2.7403000000e-03  2.4317000000e-03
-
-JOB 76
-COORDS -5.4840000000e-01  6.6108700000e-01 -2.3750500000e+00 -1.2170280000e+00  3.1146000000e-02 -2.1060850000e+00 -1.0354720000e+00  1.3491490000e+00 -2.8284420000e+00  6.2231400000e-01 -6.0280900000e-01  2.3844570000e+00  8.8065400000e-01 -1.2001530000e+00  1.6825510000e+00  2.9708700000e-01 -1.1752970000e+00  3.0792350000e+00
-ENERGY -1.526539916387e+02
-FORCES -4.8435000000e-03  7.4100000000e-04 -3.7810000000e-04  2.8639000000e-03  2.2234000000e-03 -1.2712000000e-03  1.9525000000e-03 -2.8920000000e-03  1.6764000000e-03  1.6260000000e-04 -4.5588000000e-03 -3.5670000000e-04 -1.3209000000e-03  2.1205000000e-03  3.2059000000e-03  1.1854000000e-03  2.3659000000e-03 -2.8763000000e-03
-
-JOB 77
-COORDS  6.5734300000e-01  2.0885330000e+00 -1.3243870000e+00  1.1925260000e+00  2.8283790000e+00 -1.6115060000e+00 -1.9188000000e-01  2.2299780000e+00 -1.7427730000e+00 -6.4947400000e-01 -2.1943490000e+00  1.3731140000e+00 -2.0333700000e-01 -1.6040780000e+00  1.9803810000e+00 -8.2955600000e-01 -1.6551370000e+00  6.0301500000e-01
-ENERGY -1.526549608463e+02
-FORCES -8.4560000000e-04  4.0457000000e-03 -3.2182000000e-03 -2.3142000000e-03 -2.9901000000e-03  1.1568000000e-03  3.3929000000e-03 -8.6830000000e-04  1.9382000000e-03  1.6326000000e-03  5.0544000000e-03 -9.7310000000e-04 -1.9785000000e-03 -2.6609000000e-03 -2.0552000000e-03  1.1270000000e-04 -2.5807000000e-03  3.1514000000e-03
-
-JOB 78
-COORDS  2.1602490000e+00  1.2596670000e+00  9.7833900000e-01  1.6751060000e+00  1.8243130000e+00  3.7663800000e-01  2.5822450000e+00  6.1283300000e-01  4.1286800000e-01 -2.1170770000e+00 -1.3015910000e+00 -9.3611700000e-01 -2.2890430000e+00 -1.1220990000e+00 -1.1756000000e-02 -2.6451920000e+00 -6.5760400000e-01 -1.4079290000e+00
-ENERGY -1.526545552768e+02
-FORCES -2.5570000000e-04 -7.0510000000e-04 -5.0544000000e-03  1.8864000000e-03 -2.0359000000e-03  2.6069000000e-03 -1.4780000000e-03  2.8346000000e-03  2.4359000000e-03 -3.0756000000e-03  3.1024000000e-03  2.1799000000e-03  5.8150000000e-04 -6.9520000000e-04 -4.0224000000e-03  2.3414000000e-03 -2.5007000000e-03  1.8541000000e-03
-
-JOB 79
-COORDS -2.6423000000e-01  1.3098340000e+00 -2.2667190000e+00  2.2425300000e-01  2.0649090000e+00 -1.9388800000e+00 -1.0390020000e+00  1.6875660000e+00 -2.6829870000e+00  2.8809400000e-01 -1.3211500000e+00  2.2362050000e+00  1.8663700000e-01 -2.2474690000e+00  2.0174100000e+00  2.7940400000e-01 -1.2982250000e+00  3.1930910000e+00
-ENERGY -1.526536608311e+02
-FORCES -1.0758000000e-03  4.5294000000e-03  3.4800000000e-04 -1.9927000000e-03 -2.8606000000e-03 -1.7366000000e-03  3.1190000000e-03 -1.5706000000e-03  1.5539000000e-03 -5.4870000000e-04 -3.8432000000e-03  2.5166000000e-03  4.5100000000e-04  3.7017000000e-03  1.2052000000e-03  4.7300000000e-05  4.3400000000e-05 -3.8871000000e-03
-
-JOB 80
-COORDS -5.8780800000e-01  2.5008060000e+00 -7.6266200000e-01 -3.5879400000e-01  2.8714890000e+00 -1.6149400000e+00 -1.6674600000e-01  3.0804520000e+00 -1.2788000000e-01  5.5949700000e-01 -2.6046490000e+00  7.3932700000e-01  2.1670900000e-01 -1.7479660000e+00  4.8472400000e-01  7.4735000000e-01 -2.5198240000e+00  1.6740720000e+00
-ENERGY -1.526549663148e+02
-FORCES  2.4958000000e-03  4.3629000000e-03 -1.3036000000e-03 -9.1550000000e-04 -1.4772000000e-03  3.6146000000e-03 -1.6798000000e-03 -2.6047000000e-03 -2.4904000000e-03 -9.3650000000e-04  4.2165000000e-03  2.4746000000e-03  1.6742000000e-03 -4.0727000000e-03  1.3442000000e-03 -6.3820000000e-04 -4.2490000000e-04 -3.6393000000e-03
-
-JOB 81
-COORDS  1.3965470000e+00  1.7136750000e+00  1.8408940000e+00  6.5891100000e-01  1.6055150000e+00  2.4412480000e+00  1.4838450000e+00  8.6233300000e-01  1.4121420000e+00 -1.3121960000e+00 -1.6733610000e+00 -1.8838910000e+00 -1.4109500000e+00 -1.8511650000e+00 -9.4854800000e-01 -2.1678170000e+00 -1.3422750000e+00 -2.1568860000e+00
-ENERGY -1.526539080113e+02
-FORCES -2.4203000000e-03 -3.8567000000e-03  4.0960000000e-04  2.8870000000e-03  3.4490000000e-04 -2.4678000000e-03 -5.2200000000e-04  3.4370000000e-03  2.1201000000e-03 -4.2186000000e-03  5.9270000000e-04  2.2723000000e-03  7.3520000000e-04  9.2440000000e-04 -3.5645000000e-03  3.5387000000e-03 -1.4422000000e-03  1.2303000000e-03
-
-JOB 82
-COORDS  5.8877300000e-01  2.0165600000e-01 -2.8985200000e+00 -5.0981000000e-02 -1.5559000000e-02 -2.2204620000e+00  2.1445100000e-01  9.5951600000e-01 -3.3477020000e+00 -6.0144400000e-01 -2.5463700000e-01  2.9011340000e+00  1.8333800000e-01 -7.6298900000e-01  2.6963680000e+00 -3.0269400000e-01  6.5470000000e-01  2.9104420000e+00
-ENERGY -1.526545274883e+02
-FORCES -4.4001000000e-03  2.0856000000e-03  7.6780000000e-04  2.9000000000e-03  9.7490000000e-04 -2.7790000000e-03  1.5962000000e-03 -3.0326000000e-03  1.8604000000e-03  4.6630000000e-03  1.5623000000e-03 -3.1060000000e-04 -3.3899000000e-03  2.1239000000e-03  6.8570000000e-04 -1.3691000000e-03 -3.7140000000e-03 -2.2430000000e-04
-
-JOB 83
-COORDS  2.8184300000e+00 -1.4058240000e+00 -3.5341100000e-01  2.4639630000e+00 -6.0543200000e-01  3.3834000000e-02  3.6232310000e+00 -1.5736150000e+00  1.3686800000e-01 -2.8887840000e+00  1.3377210000e+00  2.6884500000e-01 -1.9986680000e+00  1.5205230000e+00 -3.2000000000e-02 -2.9275550000e+00  1.7157260000e+00  1.1473900000e+00
-ENERGY -1.526536816557e+02
-FORCES  1.9517000000e-03  2.3463000000e-03  3.6092000000e-03  1.2761000000e-03 -3.0558000000e-03 -1.6185000000e-03 -3.3329000000e-03  7.4590000000e-04 -2.0144000000e-03  3.3158000000e-03  2.2075000000e-03  2.2141000000e-03 -3.4781000000e-03 -6.9280000000e-04  1.4045000000e-03  2.6740000000e-04 -1.5510000000e-03 -3.5948000000e-03
-
-JOB 84
-COORDS  5.6614200000e-01  1.3066080000e+00  2.8193010000e+00  1.1052560000e+00  1.9679160000e+00  2.3854130000e+00  3.7780200000e-01  1.6782050000e+00  3.6810880000e+00 -5.9175000000e-01 -1.3372710000e+00 -2.8075200000e+00 -1.1986570000e+00 -1.5439750000e+00 -3.5182730000e+00  1.9138500000e-01 -1.8516080000e+00 -3.0034520000e+00
-ENERGY -1.526537134021e+02
-FORCES  1.2939000000e-03  4.2087000000e-03  1.4158000000e-03 -2.0792000000e-03 -2.6524000000e-03  1.9580000000e-03  7.7670000000e-04 -1.5445000000e-03 -3.4629000000e-03  7.1560000000e-04 -3.0353000000e-03 -3.4357000000e-03  2.4734000000e-03  8.8290000000e-04  2.8610000000e-03 -3.1803000000e-03  2.1406000000e-03  6.6380000000e-04
-
-JOB 85
-COORDS  2.0787600000e-01 -1.1700190000e+00  3.1951850000e+00  3.9187300000e-01 -1.8209050000e+00  3.8724770000e+00  1.0298290000e+00 -1.0879860000e+00  2.7115570000e+00 -3.2361300000e-01  1.1827400000e+00 -3.2137230000e+00 -7.0456000000e-02  1.7855680000e+00 -2.5146220000e+00  4.9902000000e-01  9.6381100000e-01 -3.6514190000e+00
-ENERGY -1.526539172847e+02
-FORCES  3.9854000000e-03 -2.4871000000e-03  7.5700000000e-04 -7.1680000000e-04  2.6913000000e-03 -2.7569000000e-03 -3.2833000000e-03 -1.9840000000e-04  1.9670000000e-03  4.2136000000e-03  1.5987000000e-03  1.1765000000e-03 -8.9220000000e-04 -2.4630000000e-03 -2.9513000000e-03 -3.3067000000e-03  8.5850000000e-04  1.8077000000e-03
-
-JOB 86
-COORDS -1.0529000000e-01 -1.4185290000e+00  3.1845480000e+00 -3.2846500000e-01 -9.6794200000e-01  2.3700570000e+00 -5.8093300000e-01 -9.3850600000e-01  3.8624670000e+00  1.8119500000e-01  1.3455650000e+00 -3.2365710000e+00  4.9753300000e-01  1.8790350000e+00 -2.5074810000e+00 -7.5060700000e-01  1.2211350000e+00 -3.0563070000e+00
-ENERGY -1.526537772639e+02
-FORCES -2.8121000000e-03  3.6360000000e-03 -4.9530000000e-04  8.5940000000e-04 -1.6756000000e-03  3.3014000000e-03  1.9469000000e-03 -1.9135000000e-03 -2.8510000000e-03 -2.4188000000e-03  1.7568000000e-03  3.4420000000e-03 -1.4160000000e-03 -2.2807000000e-03 -2.8484000000e-03  3.8406000000e-03  4.7710000000e-04 -5.4870000000e-04
-
-JOB 87
-COORDS  7.8192000000e-01  2.1033900000e+00 -2.7748460000e+00  1.1653800000e+00  2.1551700000e+00 -1.8993410000e+00 -1.3934200000e-01  2.3296440000e+00 -2.6471070000e+00 -7.0066800000e-01 -2.1224180000e+00  2.7454930000e+00 -1.4905230000e+00 -1.6622940000e+00  3.0294750000e+00 -9.3629200000e-01 -2.5043090000e+00  1.8999910000e+00
-ENERGY -1.526541504760e+02
-FORCES -2.0270000000e-03  1.2064000000e-03  4.1531000000e-03 -1.6597000000e-03 -1.9090000000e-04 -3.6558000000e-03  3.6789000000e-03 -9.9670000000e-04 -5.2860000000e-04 -4.2077000000e-03  3.1900000000e-05 -2.2215000000e-03  3.2688000000e-03 -1.7519000000e-03 -1.2268000000e-03  9.4670000000e-04  1.7011000000e-03  3.4795000000e-03
-
-JOB 88
-COORDS -2.0749830000e+00  2.7674620000e+00  1.6068330000e+00 -2.7467740000e+00  3.0517380000e+00  2.2266030000e+00 -2.3889870000e+00  1.9231750000e+00  1.2830830000e+00  2.1035770000e+00 -2.7626850000e+00 -1.5735610000e+00  2.8933350000e+00 -3.0484330000e+00 -2.0327590000e+00  1.8628390000e+00 -1.9398950000e+00 -1.9993470000e+00
-ENERGY -1.526541954380e+02
-FORCES -3.9981000000e-03 -2.3858000000e-03  1.3270000000e-03  2.7213000000e-03 -1.1223000000e-03 -2.5449000000e-03  1.2622000000e-03  3.5265000000e-03  1.2277000000e-03  2.3525000000e-03  2.2887000000e-03 -3.5631000000e-03 -3.2331000000e-03  1.1285000000e-03  1.8508000000e-03  8.9520000000e-04 -3.4357000000e-03  1.7026000000e-03
-
-JOB 89
-COORDS  7.4174000000e-01  5.7216100000e-01  3.8911350000e+00  1.2507370000e+00 -4.3964000000e-02  4.4179600000e+00  8.1968000000e-01  1.4058990000e+00  4.3548580000e+00 -7.5321900000e-01 -5.4273200000e-01 -3.9174420000e+00 -4.0079000000e-01 -9.2036300000e-01 -4.7233080000e+00 -1.5981690000e+00 -9.7652600000e-01 -3.7986330000e+00
-ENERGY -1.526538658740e+02
-FORCES  2.4473000000e-03  9.3210000000e-04  3.9001000000e-03 -2.1003000000e-03  2.4930000000e-03 -2.1082000000e-03 -3.3690000000e-04 -3.4170000000e-03 -1.8360000000e-03 -2.0212000000e-03 -3.3240000000e-03 -2.6107000000e-03 -1.4215000000e-03  1.5527000000e-03  3.2527000000e-03  3.4326000000e-03  1.7632000000e-03 -5.9790000000e-04
-
-JOB 0
-COORDS  5.0331600000e-01  9.1015700000e-01  9.2865000000e-01  8.3416900000e-01  1.3418170000e+00  1.4097100000e-01 -9.3923000000e-02  2.3774400000e-01  6.0093200000e-01 -4.6031100000e-01 -9.1657800000e-01 -8.1029400000e-01 -9.0838000000e-02 -4.0216000000e-01 -1.5279960000e+00 -1.3635350000e+00 -1.0870740000e+00 -1.0774080000e+00
-ENERGY -1.526564736481e+02
-FORCES -5.5204000000e-03 -1.0581100000e-02 -1.1362500000e-02 -7.0140000000e-04 -1.3225000000e-03  8.8430000000e-04  1.5485000000e-03  6.2363000000e-03  5.0520000000e-03  1.8402000000e-03  4.5019000000e-03 -1.3069000000e-03 -2.1324000000e-03 -9.0310000000e-04  4.8379000000e-03  4.9656000000e-03  2.0685000000e-03  1.8951000000e-03
-
-JOB 1
-COORDS  1.1481620000e+00 -7.9989300000e-01 -2.1651900000e-01  1.2217890000e+00  1.1878200000e-01 -4.7506700000e-01  2.3894600000e-01 -8.9745400000e-01  6.6393000000e-02 -1.0550820000e+00  7.4176400000e-01  2.5429000000e-01 -1.1416970000e+00  1.5001370000e+00 -3.2329200000e-01 -1.8154390000e+00  1.9706600000e-01  5.0838000000e-02
-ENERGY -1.526540357242e+02
-FORCES -1.2153400000e-02  1.1962200000e-02  3.2480000000e-03  3.4276000000e-03 -1.1496000000e-03 -1.8703000000e-03 -5.7200000000e-04 -6.4007000000e-03 -5.8010000000e-04  1.6424000000e-03 -1.1086000000e-03 -4.3081000000e-03  1.4969000000e-03 -3.9299000000e-03  2.5744000000e-03  6.1584000000e-03  6.2660000000e-04  9.3600000000e-04
-
-JOB 2
-COORDS -4.3594000000e-02 -1.2568380000e+00 -2.6350600000e-01 -6.2559800000e-01 -1.4922810000e+00 -9.8605000000e-01  3.8954100000e-01 -2.0770710000e+00 -2.7192000000e-02  4.5097000000e-02  1.3417280000e+00  2.3601400000e-01 -2.4061900000e-01  1.7471980000e+00  1.0546670000e+00  4.5138200000e-01  5.1790600000e-01  5.0523800000e-01
-ENERGY -1.526560094365e+02
-FORCES -4.1123000000e-03  4.4086000000e-03 -4.1484000000e-03  3.0495000000e-03 -1.6971000000e-03  3.4481000000e-03 -1.6591000000e-03  5.3021000000e-03 -1.5360000000e-04 -4.6290000000e-04 -1.1584700000e-02  1.3850000000e-04  8.2150000000e-04 -3.0049000000e-03 -2.5694000000e-03  2.3633000000e-03  6.5759000000e-03  3.2847000000e-03
-
-JOB 3
-COORDS -1.1881550000e+00  5.6219500000e-01 -4.5569000000e-01 -1.3261010000e+00  7.7203000000e-02 -1.2693150000e+00 -2.6160100000e-01  8.0182200000e-01 -4.7328500000e-01  1.1808150000e+00 -5.8037200000e-01  4.4315900000e-01  1.3610650000e+00  2.5907100000e-01  8.6633500000e-01  4.2721400000e-01 -9.3138600000e-01  9.1761200000e-01
-ENERGY -1.526552906714e+02
-FORCES  1.0837200000e-02 -5.6038000000e-03 -3.0674000000e-03 -4.3090000000e-04  1.5938000000e-03  3.1747000000e-03 -3.5140000000e-03  3.9033000000e-03  2.6213000000e-03 -9.3444000000e-03  1.4323000000e-03  3.8484000000e-03 -2.8432000000e-03 -1.7643000000e-03 -5.3119000000e-03  5.2953000000e-03  4.3870000000e-04 -1.2652000000e-03
-
-JOB 4
-COORDS -7.6055100000e-01 -1.0874570000e+00 -4.4610400000e-01 -6.4522000000e-02 -1.5710570000e+00 -8.9097000000e-01 -7.4478700000e-01 -2.1925800000e-01 -8.4886200000e-01  7.7139000000e-01  1.0999620000e+00  4.5950500000e-01  6.7543200000e-01  1.6304400000e-01  6.3040900000e-01 -1.0083000000e-02  1.4955940000e+00  8.4551900000e-01
-ENERGY -1.526578354682e+02
-FORCES  3.8673000000e-03  5.7602000000e-03 -5.3139000000e-03 -1.9646000000e-03  2.8078000000e-03  3.9073000000e-03 -1.2579000000e-03 -4.5397000000e-03  3.5991000000e-03 -6.6045000000e-03 -8.0365000000e-03  3.6911000000e-03  3.5531000000e-03  5.0958000000e-03 -2.4519000000e-03  2.4066000000e-03 -1.0876000000e-03 -3.4317000000e-03
-
-JOB 5
-COORDS  3.9606800000e-01 -6.2966600000e-01  1.0899520000e+00  2.5938000000e-01 -1.5328690000e+00  8.0399100000e-01  8.7834000000e-01 -7.0889200000e-01  1.9129750000e+00 -4.2427300000e-01  7.4633000000e-01 -1.1399190000e+00 -5.6012700000e-01 -7.5059000000e-02 -1.6122490000e+00 -1.2635100000e-01  4.7707500000e-01 -2.7102500000e-01
-ENERGY -1.526586759809e+02
-FORCES  1.0870000000e-04  2.1290000000e-04 -2.0783000000e-03  8.3950000000e-04  4.6471000000e-03  1.0947000000e-03 -2.4348000000e-03 -1.4848000000e-03 -3.9904000000e-03  4.2029000000e-03 -7.4912000000e-03  1.0043100000e-02  3.6310000000e-04  1.4603000000e-03  1.7088000000e-03 -3.0793000000e-03  2.6557000000e-03 -6.7778000000e-03
-
-JOB 6
-COORDS  7.9913100000e-01 -8.3143000000e-01 -8.5663300000e-01  1.9147200000e-01 -2.7285100000e-01 -3.7189300000e-01  2.8328100000e-01 -1.6042250000e+00 -1.0866720000e+00 -7.5800500000e-01  7.8835000000e-01  8.1178400000e-01 -1.3923700000e-01  8.0393200000e-01  1.5419310000e+00 -8.8873300000e-01  1.7098660000e+00  5.8828900000e-01
-ENERGY -1.526619661719e+02
-FORCES -9.5117000000e-03  5.5225000000e-03  5.9720000000e-03  7.6175000000e-03 -6.2756000000e-03 -4.9357000000e-03  9.9720000000e-04  2.5928000000e-03  1.1193000000e-03  2.7403000000e-03  2.7092000000e-03  1.1174000000e-03 -3.0596000000e-03  1.0130000000e-04 -5.0061000000e-03  1.2163000000e-03 -4.6502000000e-03  1.7332000000e-03
-
-JOB 7
-COORDS  1.6637400000e-01  7.8197500000e-01 -1.1143810000e+00  8.0673800000e-01  7.3336000000e-02 -1.1775960000e+00  6.2376500000e-01  1.5499980000e+00 -1.4566760000e+00 -2.7417700000e-01 -8.3962700000e-01  1.1256610000e+00  2.7625300000e-01 -6.9053300000e-01  1.8944450000e+00 -1.1663100000e-01 -7.8858000000e-02  5.6651800000e-01
-ENERGY -1.526595040470e+02
-FORCES  2.9308000000e-03 -5.0230000000e-04 -2.1790000000e-03 -3.8512000000e-03  5.3054000000e-03  3.9961000000e-03 -1.3537000000e-03 -4.5209000000e-03  1.2426000000e-03  3.7040000000e-04  8.4655000000e-03 -3.7297000000e-03 -1.1664000000e-03  2.2070000000e-04 -3.5468000000e-03  3.0702000000e-03 -8.9685000000e-03  4.2166000000e-03
-
-JOB 8
-COORDS  1.2843090000e+00 -2.2410100000e-01  3.4187000000e-01  1.6534100000e+00 -1.1043240000e+00  2.6972800000e-01  1.7100270000e+00  1.5225600000e-01  1.1121630000e+00 -1.3868220000e+00  2.3348200000e-01 -3.4733500000e-01 -1.3630110000e+00  4.9959100000e-01 -1.2664930000e+00 -4.7592600000e-01  2.8739900000e-01 -5.8209000000e-02
-ENERGY -1.526609734572e+02
-FORCES -1.2289000000e-03 -3.8246000000e-03  8.0260000000e-04  1.4440000000e-04  4.7301000000e-03  1.2292000000e-03 -2.2745000000e-03 -2.3588000000e-03 -3.7447000000e-03  1.1862200000e-02 -1.1146000000e-03  5.3980000000e-04  3.5050000000e-04 -1.0980000000e-03  2.6072000000e-03 -8.8536000000e-03  3.6659000000e-03 -1.4340000000e-03
-
-JOB 9
-COORDS  1.4702970000e+00 -8.8531000000e-02  7.0320000000e-03  9.7745300000e-01  4.7912100000e-01  5.9957600000e-01  8.0864100000e-01 -6.5831800000e-01 -3.8512200000e-01 -1.4005980000e+00  6.4807000000e-02  3.8406000000e-02 -1.5404980000e+00 -3.7093600000e-01 -8.0230100000e-01 -1.3902630000e+00  9.9812700000e-01 -1.7381800000e-01
-ENERGY -1.526550669968e+02
-FORCES -1.3334200000e-02 -5.7890000000e-04  3.0622000000e-03  4.0593000000e-03  2.1048000000e-03 -1.1081000000e-03  3.4811000000e-03 -9.4520000000e-04 -3.3240000000e-03  1.2598000000e-03  2.7539000000e-03 -4.9451000000e-03  3.2100000000e-03  1.1578000000e-03  4.2289000000e-03  1.3240000000e-03 -4.4925000000e-03  2.0861000000e-03
-
-JOB 10
-COORDS -4.4496200000e-01 -1.2558670000e+00  6.7467500000e-01 -1.0745650000e+00 -6.5167100000e-01  2.8125400000e-01  4.0849100000e-01 -9.3991700000e-01  3.7798400000e-01  4.0389200000e-01  1.2525160000e+00 -6.0223300000e-01  5.7627000000e-02  8.1675200000e-01 -1.3809780000e+00  1.2238770000e+00  7.9518500000e-01 -4.1594400000e-01
-ENERGY -1.526514404100e+02
-FORCES  1.0411000000e-03  1.1356200000e-02 -3.1085000000e-03 -1.2770000000e-04 -4.8247000000e-03 -3.4570000000e-04  1.9132000000e-03 -1.4530000000e-03 -1.0984000000e-03  2.4706000000e-03 -3.9505000000e-03 -1.9250000000e-03  3.0800000000e-04  5.9720000000e-04  5.7005000000e-03 -5.6052000000e-03 -1.7252000000e-03  7.7700000000e-04
-
-JOB 11
-COORDS -7.0261200000e-01  1.6699000000e-01 -1.2720760000e+00 -1.0188780000e+00  1.0688730000e+00 -1.3251370000e+00 -3.3195400000e-01  9.4007000000e-02 -3.9257800000e-01  6.6746800000e-01 -1.9042300000e-01  1.1727380000e+00  1.4273260000e+00 -7.7246200000e-01  1.1815890000e+00  4.8169400000e-01 -2.4224000000e-02  2.0969120000e+00
-ENERGY -1.526614826859e+02
-FORCES  4.5253000000e-03  1.1978000000e-03  9.6436000000e-03  8.9530000000e-04 -2.5764000000e-03  9.5310000000e-04 -4.6119000000e-03  1.2661000000e-03 -8.5370000000e-03  7.5180000000e-04 -1.7315000000e-03  1.7110000000e-04 -3.5930000000e-03  2.9263000000e-03  1.7339000000e-03  2.0325000000e-03 -1.0823000000e-03 -3.9648000000e-03
-
-JOB 12
-COORDS  2.0639200000e-01  1.3343610000e+00 -5.3030400000e-01  5.0503200000e-01  2.0511720000e+00  2.9364000000e-02  9.9474000000e-02  5.9305900000e-01  6.5743000000e-02 -2.2683100000e-01 -1.2832550000e+00  4.8657000000e-01  6.1878200000e-01 -1.6363660000e+00  2.1001200000e-01 -8.4840000000e-01 -1.9923490000e+00  3.2204100000e-01
-ENERGY -1.526605234531e+02
-FORCES -2.7079000000e-03 -6.2525000000e-03  5.1058000000e-03 -9.5740000000e-04 -3.5475000000e-03 -1.0442000000e-03  5.4282000000e-03  8.2641000000e-03 -2.7164000000e-03 -1.4742000000e-03 -2.5826000000e-03 -3.9627000000e-03 -4.3254000000e-03  2.5479000000e-03  1.7066000000e-03  4.0367000000e-03  1.5706000000e-03  9.1090000000e-04
-
-JOB 13
-COORDS -1.3032980000e+00  4.7564400000e-01 -1.6485700000e-01 -1.3864020000e+00  1.2978010000e+00 -6.4795400000e-01 -1.4797820000e+00  7.1327800000e-01  7.4542600000e-01  1.3530770000e+00 -5.9544800000e-01  1.1621500000e-01  1.7423560000e+00  2.3014900000e-01  4.0445500000e-01  4.0997700000e-01 -4.6220000000e-01  2.1128700000e-01
-ENERGY -1.526582739982e+02
-FORCES  1.9110000000e-04  4.8990000000e-03 -1.7369000000e-03 -4.3430000000e-04 -3.3446000000e-03  3.4642000000e-03  4.0139000000e-03 -2.0515000000e-03 -4.5979000000e-03 -9.5743000000e-03  6.6233000000e-03 -1.5907000000e-03 -1.0409000000e-03 -2.2893000000e-03 -5.9230000000e-04  6.8445000000e-03 -3.8370000000e-03  5.0536000000e-03
-
-JOB 14
-COORDS -1.1535150000e+00  7.0557500000e-01 -6.0188000000e-01 -1.8653210000e+00  6.5630000000e-02 -5.9614700000e-01 -3.7532000000e-01  2.0108000000e-01 -3.6496400000e-01  1.1019310000e+00 -5.9602000000e-01  5.7803200000e-01  1.8476380000e+00 -7.3177300000e-01 -6.5390000000e-03  1.3090650000e+00 -1.1143880000e+00  1.3556060000e+00
-ENERGY -1.526603873510e+02
-FORCES  5.9382000000e-03 -6.9058000000e-03  5.1899000000e-03  2.1246000000e-03  1.7675000000e-03  2.2310000000e-04 -5.3729000000e-03  4.0484000000e-03 -6.6227000000e-03  9.2200000000e-04 -1.1558000000e-03  2.5063000000e-03 -4.3499000000e-03  4.5320000000e-04  2.8472000000e-03  7.3800000000e-04  1.7925000000e-03 -4.1437000000e-03
-
-JOB 15
-COORDS -1.4409910000e+00  1.9700800000e-01 -7.4267000000e-02 -1.3458050000e+00  5.8499500000e-01  7.9558200000e-01 -1.1479660000e+00  8.8154300000e-01 -6.7574900000e-01  1.4780290000e+00 -2.3644300000e-01  4.3796000000e-02  6.9609900000e-01  2.3771400000e-01  3.2662600000e-01  1.2241720000e+00 -1.1588020000e+00  7.6075000000e-02
-ENERGY -1.526544698052e+02
-FORCES  2.1000000000e-06  4.1240000000e-03 -1.3642000000e-03  4.4258000000e-03 -3.1115000000e-03 -5.1317000000e-03  3.4540000000e-04 -3.7684000000e-03  5.0033000000e-03 -1.1243600000e-02 -4.1685000000e-03 -3.0170000000e-04  3.2155000000e-03  4.4357000000e-03  1.4959000000e-03  3.2549000000e-03  2.4887000000e-03  2.9850000000e-04
-
-JOB 16
-COORDS  2.0102500000e-01 -1.3511390000e+00  5.3293500000e-01 -7.2750800000e-01 -1.4126690000e+00  3.0871900000e-01  6.5832400000e-01 -1.5088500000e+00 -2.9304200000e-01 -2.3517700000e-01  1.3687250000e+00 -5.0596500000e-01 -2.4473000000e-02  8.2286800000e-01  2.5158100000e-01  5.7898800000e-01  1.8325850000e+00 -7.0141400000e-01
-ENERGY -1.526595054318e+02
-FORCES -2.6264000000e-03 -1.4563000000e-03 -7.6912000000e-03  4.6250000000e-03  1.3381000000e-03  2.1117000000e-03 -1.2893000000e-03  4.7490000000e-04  4.3221000000e-03  4.8378000000e-03 -4.4807000000e-03  5.0892000000e-03 -3.0334000000e-03  6.6438000000e-03 -4.3274000000e-03 -2.5137000000e-03 -2.5198000000e-03  4.9560000000e-04
-
-JOB 17
-COORDS  6.6473900000e-01 -1.0461080000e+00  6.8856700000e-01  1.4158300000e+00 -1.3820420000e+00  1.1776920000e+00 -4.4062000000e-02 -1.0117370000e+00  1.3309460000e+00 -7.0517700000e-01  1.0498060000e+00 -7.9337900000e-01 -5.3255500000e-01  1.9360170000e+00 -4.7547300000e-01 -3.2800000000e-02  5.1036000000e-01 -3.7728000000e-01
-ENERGY -1.526608578579e+02
-FORCES  1.5800000000e-04 -2.4391000000e-03  3.8785000000e-03 -4.2558000000e-03  1.1805000000e-03 -1.2091000000e-03  4.7112000000e-03  9.2180000000e-04 -3.1643000000e-03  6.6415000000e-03 -3.0370000000e-03  3.4166000000e-03 -3.5500000000e-04 -3.3476000000e-03 -3.5600000000e-04 -6.8998000000e-03  6.7214000000e-03 -2.5658000000e-03
-
-JOB 18
-COORDS  4.7710800000e-01  1.2878920000e+00 -4.6209500000e-01  6.3987600000e-01  5.7410900000e-01 -1.0787420000e+00  1.1895130000e+00  1.9076620000e+00 -6.1892500000e-01 -5.3732600000e-01 -1.3081750000e+00  4.5985300000e-01 -9.7368500000e-01 -5.0244500000e-01  7.3665800000e-01  8.8184000000e-02 -1.4950170000e+00  1.1598950000e+00
-ENERGY -1.526582439802e+02
-FORCES  2.3307000000e-03 -3.4370000000e-03 -3.4084000000e-03  5.2160000000e-04  5.9762000000e-03  1.1708000000e-03 -2.3517000000e-03 -3.5407000000e-03  8.4180000000e-04  1.9025000000e-03  6.8264000000e-03  4.6033000000e-03 -1.5450000000e-04 -5.6278000000e-03 -5.6590000000e-04 -2.2486000000e-03 -1.9700000000e-04 -2.6417000000e-03
-
-JOB 19
-COORDS  1.0709350000e+00  7.3924200000e-01 -7.9377000000e-01  1.7619590000e+00  7.7182000000e-02 -8.1360700000e-01  2.6092000000e-01  2.3794900000e-01 -6.9989000000e-01 -1.0437810000e+00 -6.7269700000e-01  7.2142800000e-01 -9.3573600000e-01 -1.3882360000e+00  1.3479750000e+00 -1.5158710000e+00  3.0700000000e-03  1.2079490000e+00
-ENERGY -1.526594587525e+02
-FORCES -4.5034000000e-03 -7.6938000000e-03  4.2019000000e-03 -1.6754000000e-03  2.1547000000e-03 -2.0100000000e-05  4.6846000000e-03  5.0498000000e-03 -5.0464000000e-03  6.7030000000e-04  8.9370000000e-04  5.1525000000e-03 -9.0650000000e-04  3.3000000000e-03 -2.1672000000e-03  1.7304000000e-03 -3.7044000000e-03 -2.1207000000e-03
-
-JOB 20
-COORDS -1.2085500000e-01  1.4252990000e+00  6.0107000000e-02 -8.8356100000e-01  1.6145030000e+00 -4.8644100000e-01  2.6997800000e-01  2.2820780000e+00  2.3160300000e-01  9.8228000000e-02 -1.5181490000e+00  1.1880000000e-03  8.4346900000e-01 -1.7984800000e+00 -5.3009500000e-01  2.2818000000e-02 -5.7899800000e-01 -1.6775500000e-01
-ENERGY -1.526599160439e+02
-FORCES  2.7710000000e-04  4.6552000000e-03  8.8470000000e-04  4.5534000000e-03 -2.0749000000e-03  2.2846000000e-03 -3.0059000000e-03 -2.8723000000e-03 -1.3921000000e-03  2.9708000000e-03  7.9360000000e-03 -7.8410000000e-04 -2.3276000000e-03  1.0874000000e-03  1.6544000000e-03 -2.4678000000e-03 -8.7314000000e-03 -2.6475000000e-03
-
-JOB 21
-COORDS  3.5890100000e-01  7.3658500000e-01  1.3222100000e+00  9.4697100000e-01  5.1385200000e-01  6.0054900000e-01 -4.8981700000e-01  8.8181000000e-01  9.0409600000e-01 -3.2355000000e-01 -6.8011500000e-01 -1.2384250000e+00 -1.0832610000e+00 -1.1463290000e+00 -8.8954800000e-01  8.0470000000e-03 -1.2481400000e+00 -1.9338550000e+00
-ENERGY -1.526576426507e+02
-FORCES -1.5426000000e-03 -2.7346000000e-03 -9.9945000000e-03  1.2457000000e-03  2.4300000000e-03  5.0893000000e-03  7.0900000000e-04 -1.2690000000e-04  3.7309000000e-03 -2.1113000000e-03 -4.8402000000e-03 -4.1440000000e-04  2.8777000000e-03  2.9808000000e-03 -1.9540000000e-03 -1.1785000000e-03  2.2909000000e-03  3.5427000000e-03
-
-JOB 22
-COORDS  1.1244720000e+00  2.5406500000e-01 -9.7823700000e-01  5.9775700000e-01  2.9081300000e-01 -1.7983100000e-01  1.7735210000e+00  9.4919100000e-01 -8.6976700000e-01 -1.0901520000e+00 -3.0855700000e-01  9.6925200000e-01 -1.9660090000e+00  7.0371000000e-02  1.0435470000e+00 -1.0353300000e+00 -6.1028400000e-01  6.2506000000e-02
-ENERGY -1.526587666794e+02
-FORCES  5.8500000000e-05  3.4545000000e-03  6.4049000000e-03  7.8960000000e-04 -3.4202000000e-03 -8.5775000000e-03 -2.4142000000e-03 -2.2821000000e-03 -1.4050000000e-04 -6.2278000000e-03 -7.3960000000e-04 -2.8231000000e-03  3.7023000000e-03 -2.2915000000e-03 -4.2860000000e-04  4.0915000000e-03  5.2789000000e-03  5.5649000000e-03
-
-JOB 23
-COORDS  4.7826000000e-01  8.0044400000e-01 -1.1681740000e+00  1.0111900000e-01  9.7918800000e-01 -3.0675300000e-01  3.5498800000e-01  1.6137800000e+00 -1.6575820000e+00 -4.5113900000e-01 -8.1695400000e-01  1.0980100000e+00  2.3879500000e-01 -1.4264320000e+00  1.3602310000e+00 -1.1353790000e+00 -9.3082700000e-01  1.7576170000e+00
-ENERGY -1.526575844753e+02
-FORCES -3.2904000000e-03  5.1120000000e-04  4.5449000000e-03  3.0202000000e-03  4.3111000000e-03 -6.0975000000e-03 -2.5220000000e-04 -3.1955000000e-03  2.4826000000e-03  1.1805000000e-03 -4.9625000000e-03  2.1938000000e-03 -3.7200000000e-03  2.4820000000e-03 -3.1200000000e-05  3.0618000000e-03  8.5370000000e-04 -3.0926000000e-03
-
-JOB 24
-COORDS  2.4005300000e-01  4.5665900000e-01  1.3370100000e+00  7.8406700000e-01  1.1783740000e+00  1.6523020000e+00 -2.1290000000e-01  1.3861600000e-01  2.1179800000e+00 -3.0176900000e-01 -5.2538700000e-01 -1.4040490000e+00  3.0022300000e-01 -2.9593700000e-01 -2.1119970000e+00  7.9060000000e-03 -1.9998000000e-02 -6.5244100000e-01
-ENERGY -1.526606445315e+02
-FORCES -1.3793000000e-03 -3.6430000000e-04  4.6790000000e-03 -2.4829000000e-03 -3.3971000000e-03 -1.4100000000e-03  2.9847000000e-03  2.6583000000e-03 -2.2409000000e-03  3.3052000000e-03  3.4156000000e-03  5.7901000000e-03 -1.5438000000e-03 -1.2830000000e-04  3.0024000000e-03 -8.8390000000e-04 -2.1842000000e-03 -9.8207000000e-03
-
-JOB 25
-COORDS  4.7463300000e-01  1.3425500000e+00  5.6138300000e-01 -3.7200000000e-03  5.2529100000e-01  4.2175000000e-01 -1.9936300000e-01  2.0218740000e+00  5.3947100000e-01 -4.0185000000e-01 -1.2699240000e+00 -5.4318600000e-01  9.7230000000e-03 -2.0343610000e+00 -1.4010300000e-01 -1.0834450000e+00 -1.6341930000e+00 -1.1079580000e+00
-ENERGY -1.526603117059e+02
-FORCES -5.2080000000e-03 -5.3178000000e-03 -3.5066000000e-03  3.0914000000e-03  7.5998000000e-03  5.1347000000e-03  1.8650000000e-03 -2.4161000000e-03 -2.2610000000e-04 -5.0230000000e-04 -4.0934000000e-03 -2.0577000000e-03 -2.6013000000e-03  3.5270000000e-03 -1.9872000000e-03  3.3552000000e-03  7.0050000000e-04  2.6430000000e-03
-
-JOB 26
-COORDS  8.9241500000e-01  1.1404440000e+00 -7.0569000000e-02  1.5194090000e+00  9.9148700000e-01 -7.7832800000e-01  1.2330650000e+00  1.9042610000e+00  3.9502100000e-01 -9.6060600000e-01 -1.2448970000e+00  7.8833000000e-02 -1.6401370000e+00 -6.0548300000e-01  2.9242100000e-01 -1.5714700000e-01 -7.2866400000e-01  1.4102000000e-02
-ENERGY -1.526598612815e+02
-FORCES  3.4417000000e-03  3.7080000000e-03  2.4370000000e-04 -3.2234000000e-03 -1.8330000000e-04  4.0348000000e-03 -1.1163000000e-03 -2.8658000000e-03 -3.1313000000e-03  2.9592000000e-03  9.5798000000e-03  1.1894000000e-03  5.8970000000e-04 -3.0961000000e-03 -3.2460000000e-04 -2.6509000000e-03 -7.1426000000e-03 -2.0119000000e-03
-
-JOB 27
-COORDS  5.2770200000e-01  7.9721700000e-01 -1.3377820000e+00  1.1822870000e+00  1.0190700000e-01 -1.2722520000e+00 -2.5746400000e-01  4.2637800000e-01 -9.3501000000e-01 -4.6994500000e-01 -7.0394600000e-01  1.3211470000e+00 -4.6056000000e-01 -1.6604710000e+00  1.2864390000e+00 -1.3955790000e+00 -4.7034100000e-01  1.2514230000e+00
-ENERGY -1.526558073555e+02
-FORCES -2.2190000000e-04 -6.1117000000e-03  6.9089000000e-03 -1.3799000000e-03  2.4850000000e-03 -2.2211000000e-03 -6.2300000000e-05  2.8203000000e-03 -4.8888000000e-03 -3.6433000000e-03 -3.2352000000e-03  2.8751000000e-03  3.3070000000e-04  4.7740000000e-03 -7.5570000000e-04  4.9767000000e-03 -7.3240000000e-04 -1.9183000000e-03
-
-JOB 28
-COORDS -1.2853860000e+00  7.8601200000e-01  7.2214600000e-01 -5.9275400000e-01  9.0010000000e-01  1.3728970000e+00 -8.1958800000e-01  6.5943100000e-01 -1.0443800000e-01  1.2175360000e+00 -7.5428100000e-01 -6.6358300000e-01  1.1066510000e+00 -1.7010160000e+00 -7.5092700000e-01  1.2696970000e+00 -4.3464900000e-01 -1.5643310000e+00
-ENERGY -1.526577262040e+02
-FORCES  8.3846000000e-03 -2.7561000000e-03 -1.4148000000e-03 -3.6993000000e-03  7.3920000000e-04 -9.0210000000e-04 -4.9777000000e-03  3.3737000000e-03  1.2400000000e-03  1.1375000000e-03 -5.1427000000e-03 -3.4453000000e-03  1.0392000000e-03  4.3625000000e-03 -1.4600000000e-04 -1.8843000000e-03 -5.7660000000e-04  4.6682000000e-03
-
-JOB 29
-COORDS -6.3769400000e-01 -1.0796200000e-01 -1.5745890000e+00 -1.2916840000e+00  4.6076100000e-01 -1.1682840000e+00  1.8006800000e-01  1.0847200000e-01 -1.1266460000e+00  5.9951000000e-01  4.7062000000e-02  1.5721500000e+00  1.4955520000e+00  3.8021600000e-01  1.5236820000e+00  3.1696500000e-01 -1.5272000000e-02  6.5972800000e-01
-ENERGY -1.526506577898e+02
-FORCES -6.6330000000e-04  4.4681000000e-03  7.6660000000e-04  4.2018000000e-03 -3.5382000000e-03 -1.4423000000e-03 -4.0761000000e-03 -2.5713000000e-03  5.0578000000e-03  2.1048000000e-03 -4.8880000000e-04 -2.8933000000e-03 -4.5112000000e-03 -1.4738000000e-03 -8.2270000000e-04  2.9439000000e-03  3.6039000000e-03 -6.6600000000e-04
-
-JOB 30
-COORDS  2.1471200000e-01 -9.7293600000e-01 -1.3232630000e+00 -4.1758400000e-01 -1.6908800000e+00 -1.3547180000e+00 -3.1942300000e-01 -1.8029900000e-01 -1.3748240000e+00 -2.2339200000e-01  9.7577900000e-01  1.3196400000e+00  3.7374800000e-01  3.3399300000e-01  9.3523600000e-01  3.3639000000e-01  1.5270480000e+00  1.8664290000e+00
-ENERGY -1.526593384429e+02
-FORCES -6.1903000000e-03 -2.5940000000e-04 -2.5251000000e-03  2.7539000000e-03  3.0379000000e-03 -4.7700000000e-05  3.6304000000e-03 -4.4247000000e-03  6.6100000000e-04  5.2216000000e-03 -1.5375000000e-03  9.2700000000e-04 -3.4999000000e-03  5.5990000000e-03  3.1984000000e-03 -1.9158000000e-03 -2.4153000000e-03 -2.2137000000e-03
-
-JOB 31
-COORDS  3.4090000000e-01 -9.6930600000e-01 -1.3436130000e+00  1.9468500000e-01 -1.1849100000e-01 -9.3013100000e-01  1.2184600000e+00 -1.2260990000e+00 -1.0604570000e+00 -3.7215500000e-01  9.2363200000e-01  1.2425720000e+00 -3.3984800000e-01  1.7616940000e+00  1.7039180000e+00 -6.5292400000e-01  2.9452400000e-01  1.9071200000e+00
-ENERGY -1.526592998579e+02
-FORCES  2.0998000000e-03  4.4619000000e-03  4.8970000000e-03  1.5886000000e-03 -5.0436000000e-03 -5.7526000000e-03 -2.9401000000e-03  2.6010000000e-04 -1.2337000000e-03 -2.1082000000e-03  6.4310000000e-04  5.8500000000e-03 -1.5630000000e-04 -3.9016000000e-03 -1.5980000000e-03  1.5163000000e-03  3.5802000000e-03 -2.1627000000e-03
-
-JOB 32
-COORDS  1.0415190000e+00  8.2596400000e-01  1.0314150000e+00  3.9022400000e-01  1.1539910000e+00  4.1137900000e-01  1.2675220000e+00  1.5865160000e+00  1.5668720000e+00 -1.0449020000e+00 -8.4498100000e-01 -1.0786120000e+00 -1.4576580000e+00 -1.1491050000e+00 -2.7029700000e-01 -1.8372900000e-01 -1.2628460000e+00 -1.0802750000e+00
-ENERGY -1.526582522847e+02
-FORCES -2.0219000000e-03  4.6198000000e-03 -1.1655000000e-03  4.3076000000e-03 -2.9440000000e-04  4.4794000000e-03 -1.3247000000e-03 -2.9155000000e-03 -2.2703000000e-03  2.1985000000e-03 -5.0780000000e-03  3.5305000000e-03  1.1172000000e-03  1.7074000000e-03 -3.7288000000e-03 -4.2767000000e-03  1.9606000000e-03 -8.4530000000e-04
-
-JOB 33
-COORDS -2.2086800000e-01 -1.3697300000e-01  1.7233700000e+00 -2.4734600000e-01 -1.0528850000e+00  2.0002030000e+00  5.0608200000e-01 -9.4969000000e-02  1.1020730000e+00  2.3818200000e-01  2.0405400000e-01 -1.6788490000e+00  8.0300000000e-02 -6.4768200000e-01 -2.0860960000e+00 -6.0347300000e-01  6.5651400000e-01 -1.7347820000e+00
-ENERGY -1.526573795761e+02
-FORCES  3.6431000000e-03 -2.8551000000e-03 -3.4825000000e-03 -8.2800000000e-05  3.2765000000e-03 -1.2031000000e-03 -2.6376000000e-03 -8.2270000000e-04  6.0426000000e-03 -5.7482000000e-03 -9.3140000000e-04 -2.5560000000e-03  9.0520000000e-04  3.3282000000e-03  2.0133000000e-03  3.9203000000e-03 -1.9955000000e-03 -8.1440000000e-04
-
-JOB 34
-COORDS  3.7502400000e-01 -1.6671220000e+00 -3.2702200000e-01  7.6518000000e-02 -2.4687120000e+00  1.0260300000e-01  2.1600200000e-01 -9.7648600000e-01  3.1638000000e-01 -2.8502000000e-01  1.6736990000e+00  2.7638700000e-01 -1.0009330000e+00  1.9941200000e+00  8.2505000000e-01 -7.1924100000e-01  1.2979710000e+00 -4.8945400000e-01
-ENERGY -1.526578810651e+02
-FORCES -4.1660000000e-04  4.0030000000e-04  5.1755000000e-03  9.6680000000e-04  3.3734000000e-03 -1.5093000000e-03 -6.4470000000e-04 -5.9710000000e-03 -3.9900000000e-03 -4.9930000000e-03  2.9247000000e-03 -2.5108000000e-03  3.1369000000e-03 -1.9867000000e-03 -2.2882000000e-03  1.9506000000e-03  1.2593000000e-03  5.1228000000e-03
-
-JOB 35
-COORDS -1.0365230000e+00 -6.2358200000e-01 -1.1550330000e+00 -6.2935100000e-01 -6.1772800000e-01 -2.0212950000e+00 -1.8949210000e+00 -1.0229640000e+00 -1.2960270000e+00  1.1214420000e+00  6.8333800000e-01  1.2083010000e+00  1.0408240000e+00 -2.6683900000e-01  1.2913450000e+00  2.1885800000e-01  9.9651100000e-01  1.1491720000e+00
-ENERGY -1.526568436192e+02
-FORCES -1.2240000000e-03 -1.4279000000e-03 -5.6612000000e-03 -2.4310000000e-03 -5.2880000000e-04  3.4477000000e-03  3.7707000000e-03  1.8044000000e-03  9.2100000000e-04 -6.0694000000e-03 -3.8014000000e-03 -2.3265000000e-03  1.8357000000e-03  3.5014000000e-03  1.3047000000e-03  4.1180000000e-03  4.5230000000e-04  2.3143000000e-03
-
-JOB 36
-COORDS  5.5113100000e-01 -1.1455620000e+00  1.0813570000e+00  8.3707000000e-02 -1.9807620000e+00  1.0676650000e+00  1.1886630000e+00 -1.2389210000e+00  1.7892180000e+00 -6.2047700000e-01  1.1748470000e+00 -1.1427960000e+00  1.0198000000e-02  8.1065100000e-01 -5.2163500000e-01 -2.3103500000e-01  2.0033890000e+00 -1.4222340000e+00
-ENERGY -1.526585924353e+02
-FORCES -1.2590000000e-04 -5.4834000000e-03  3.3752000000e-03  2.6982000000e-03  3.1471000000e-03  8.7970000000e-04 -2.7063000000e-03  2.6460000000e-04 -3.0250000000e-03  4.4131000000e-03 -1.3010000000e-04  2.8976000000e-03 -3.0431000000e-03  5.2481000000e-03 -5.3441000000e-03 -1.2360000000e-03 -3.0464000000e-03  1.2166000000e-03
-
-JOB 37
-COORDS -1.3440590000e+00  1.0667180000e+00  4.6807400000e-01 -8.7463400000e-01  1.3065180000e+00 -3.3090600000e-01 -7.6235000000e-01  1.3371270000e+00  1.1785150000e+00  1.2785240000e+00 -1.0371290000e+00 -4.9611100000e-01  1.7380080000e+00 -1.2172160000e+00  3.2405700000e-01  9.6934100000e-01 -1.8936610000e+00 -7.9105200000e-01
-ENERGY -1.526551052828e+02
-FORCES  6.6333000000e-03  1.2780000000e-04 -1.6286000000e-03 -3.5168000000e-03  1.0238000000e-03  3.1143000000e-03 -2.6349000000e-03 -5.7250000000e-04 -1.8328000000e-03 -7.8530000000e-04 -5.0341000000e-03  2.6074000000e-03 -1.6045000000e-03  1.1224000000e-03 -3.2293000000e-03  1.9083000000e-03  3.3325000000e-03  9.6900000000e-04
-
-JOB 38
-COORDS  6.4156600000e-01  4.5549900000e-01  1.6000800000e+00  2.1144100000e-01 -3.0960500000e-01  1.2181910000e+00  1.4369310000e+00  1.0741700000e-01  2.0031500000e+00 -6.1578300000e-01 -4.1744300000e-01 -1.6160330000e+00 -1.1486790000e+00 -4.9968100000e-01 -8.2515400000e-01 -1.0776200000e+00  2.2852600000e-01 -2.1505070000e+00
-ENERGY -1.526533607077e+02
-FORCES  3.0671000000e-03 -4.8645000000e-03 -1.3020000000e-03 -8.8940000000e-04  2.9956000000e-03  2.0898000000e-03 -3.2951000000e-03  1.6190000000e-03 -1.2984000000e-03 -4.2852000000e-03  4.3756000000e-03  2.5740000000e-04  3.6863000000e-03 -9.3970000000e-04 -1.4995000000e-03  1.7163000000e-03 -3.1861000000e-03  1.7527000000e-03
-
-JOB 39
-COORDS  1.3657070000e+00 -8.5253900000e-01 -7.1561500000e-01  1.3278820000e+00 -8.0454500000e-01 -1.6708620000e+00  2.2109610000e+00 -4.6462800000e-01 -4.8911600000e-01 -1.3815620000e+00  8.7346800000e-01  7.9209900000e-01 -1.0122600000e+00  3.6811800000e-01  6.7897000000e-02 -2.2779360000e+00  5.4902500000e-01  8.7859600000e-01
-ENERGY -1.526571549726e+02
-FORCES  6.0673000000e-03  1.3426000000e-03 -2.1646000000e-03 -8.7990000000e-04  1.8660000000e-04  4.4073000000e-03 -3.3280000000e-03 -2.1229000000e-03 -1.7085000000e-03 -1.1940000000e-04 -4.5912000000e-03 -2.6506000000e-03 -5.1027000000e-03  3.9701000000e-03  2.6150000000e-03  3.3628000000e-03  1.2149000000e-03 -4.9870000000e-04
-
-JOB 40
-COORDS  1.0816010000e+00  1.1566520000e+00 -7.6829200000e-01  1.0746340000e+00  1.9965140000e+00 -3.0914700000e-01  2.0054090000e+00  9.0801600000e-01 -7.9978200000e-01 -1.1658340000e+00 -1.2418220000e+00  7.2103700000e-01 -3.0462100000e-01 -1.1865910000e+00  1.1351540000e+00 -1.4721830000e+00 -3.3578500000e-01  6.8258200000e-01
-ENERGY -1.526549280519e+02
-FORCES  4.7600000000e-03  2.6387000000e-03 -1.3700000000e-05 -6.5630000000e-04 -4.1598000000e-03 -1.3773000000e-03 -4.0490000000e-03  1.0935000000e-03  6.0680000000e-04  4.0298000000e-03  5.6978000000e-03 -7.1060000000e-04 -3.5555000000e-03 -1.5260000000e-03 -4.7500000000e-05 -5.2890000000e-04 -3.7443000000e-03  1.5423000000e-03
-
-JOB 41
-COORDS  1.4943660000e+00  9.0082800000e-01 -5.8519000000e-01  1.2908880000e+00  1.6321280000e+00 -1.1683100000e+00  6.5926900000e-01  4.4800300000e-01 -4.6773800000e-01 -1.4357100000e+00 -9.0199300000e-01  6.7327500000e-01 -1.5787240000e+00 -3.1617300000e-01 -7.0091000000e-02 -1.1742950000e+00 -1.7331660000e+00  2.7698600000e-01
-ENERGY -1.526540378778e+02
-FORCES -3.9603000000e-03  9.7680000000e-04 -1.0170000000e-04  2.8730000000e-04 -3.3522000000e-03  2.3862000000e-03  3.0439000000e-03  2.6205000000e-03 -3.6680000000e-03 -2.3181000000e-03 -3.0955000000e-03 -3.3407000000e-03  3.8243000000e-03 -1.7546000000e-03  3.1394000000e-03 -8.7700000000e-04  4.6051000000e-03  1.5847000000e-03
-
-JOB 42
-COORDS -1.3706110000e+00  3.2766600000e-01  1.2009040000e+00 -1.3593230000e+00 -4.1238800000e-01  5.9392400000e-01 -8.7479000000e-01  2.2480000000e-02  1.9606770000e+00  1.2887520000e+00 -2.4057800000e-01 -1.1767990000e+00  1.3133490000e+00 -9.2473500000e-01 -1.8457960000e+00  2.1711470000e+00  1.3036400000e-01 -1.1803300000e+00
-ENERGY -1.526545862591e+02
-FORCES  4.3674000000e-03 -4.2763000000e-03 -1.3407000000e-03 -2.2987000000e-03  2.0791000000e-03  3.3470000000e-03 -2.3846000000e-03  1.2910000000e-03 -2.1529000000e-03  4.5713000000e-03  1.8950000000e-04 -3.0192000000e-03 -7.1990000000e-04  2.6546000000e-03  3.2953000000e-03 -3.5355000000e-03 -1.9379000000e-03 -1.2950000000e-04
-
-JOB 43
-COORDS -1.4046160000e+00 -1.6000400000e-01 -1.2098330000e+00 -2.2509330000e+00 -1.2988300000e-01 -7.6365700000e-01 -7.6647500000e-01  5.1786000000e-02 -5.2854500000e-01  1.3711820000e+00  1.9278100000e-01  1.1113030000e+00  1.2360120000e+00 -1.4747100000e-01  1.9957170000e+00  2.2028990000e+00 -1.8961500000e-01  8.3156600000e-01
-ENERGY -1.526585308926e+02
-FORCES  1.0764000000e-03  1.4926000000e-03  5.3428000000e-03  2.9960000000e-03 -2.5390000000e-04 -1.5191000000e-03 -6.1385000000e-03 -1.2958000000e-03 -4.9167000000e-03  5.2331000000e-03 -3.0679000000e-03  3.2294000000e-03  3.4870000000e-04  1.4485000000e-03 -3.9683000000e-03 -3.5158000000e-03  1.6766000000e-03  1.8319000000e-03
-
-JOB 44
-COORDS  6.1002400000e-01 -1.1276080000e+00  1.2796260000e+00  1.2549490000e+00 -1.5345300000e+00  7.0107800000e-01  8.4224000000e-02 -1.8584660000e+00  1.6046060000e+00 -5.7681300000e-01  1.1959720000e+00 -1.3204590000e+00 -4.2705300000e-01  8.3636600000e-01 -4.4611000000e-01 -1.4431560000e+00  1.5997150000e+00 -1.2687440000e+00
-ENERGY -1.526581963485e+02
-FORCES  1.5710000000e-03 -6.4386000000e-03 -2.0970000000e-04 -3.0581000000e-03  1.7513000000e-03  2.8022000000e-03  2.3009000000e-03  3.1202000000e-03 -1.3684000000e-03 -2.1598000000e-03 -5.8980000000e-04  5.0585000000e-03 -1.7477000000e-03  3.7292000000e-03 -6.0605000000e-03  3.0936000000e-03 -1.5723000000e-03 -2.2220000000e-04
-
-JOB 45
-COORDS  1.0258980000e+00 -1.1446990000e+00  9.6889900000e-01  7.4130500000e-01 -1.8091130000e+00  1.5964280000e+00  1.6714910000e+00 -6.2409400000e-01  1.4468240000e+00 -1.0923630000e+00  1.1574450000e+00 -1.0778870000e+00 -1.2538100000e+00  1.3261180000e+00 -1.4960000000e-01 -1.6454400000e-01  9.2627500000e-01 -1.1219790000e+00
-ENERGY -1.526559174449e+02
-FORCES  1.5119000000e-03 -2.5850000000e-03  5.0321000000e-03  1.5320000000e-03  3.0358000000e-03 -2.3438000000e-03 -3.2502000000e-03 -1.5225000000e-03 -2.4883000000e-03  4.0653000000e-03 -2.6170000000e-03  4.5909000000e-03 -1.9650000000e-04  6.6640000000e-04 -3.6040000000e-03 -3.6625000000e-03  3.0224000000e-03 -1.1869000000e-03
-
-JOB 46
-COORDS  5.9877900000e-01 -1.6493250000e+00  5.3450900000e-01  1.4013550000e+00 -1.9431130000e+00  9.6554500000e-01 -1.0185700000e-01 -1.8951330000e+00  1.1385940000e+00 -5.7035100000e-01  1.6776890000e+00 -5.2730400000e-01 -6.9072900000e-01  9.3531000000e-01 -1.1194310000e+00 -9.2572700000e-01  2.4265520000e+00 -1.0059940000e+00
-ENERGY -1.526549188647e+02
-FORCES  9.7250000000e-04 -1.3159000000e-03  5.2089000000e-03 -3.3269000000e-03  7.3960000000e-04 -1.7069000000e-03  2.7771000000e-03  4.5030000000e-04 -2.8081000000e-03 -1.0881000000e-03 -1.3760000000e-03 -4.4188000000e-03 -8.5740000000e-04  4.5440000000e-03  1.6425000000e-03  1.5227000000e-03 -3.0419000000e-03  2.0825000000e-03
-
-JOB 47
-COORDS  4.3060000000e-03 -1.2679570000e+00 -1.4179970000e+00  3.9338600000e-01 -1.0132440000e+00 -5.8135500000e-01  6.9102400000e-01 -1.0995340000e+00 -2.0631990000e+00 -6.5835000000e-02  1.1821480000e+00  1.3981450000e+00 -4.1430100000e-01  1.9560860000e+00  9.5562600000e-01  5.5125600000e-01  1.5309680000e+00  2.0413830000e+00
-ENERGY -1.526567930847e+02
-FORCES  3.9813000000e-03  2.4695000000e-03  2.4815000000e-03 -6.3950000000e-04 -3.2025000000e-03 -5.5100000000e-03 -2.6274000000e-03 -5.3610000000e-04  2.2961000000e-03 -2.8800000000e-04  5.8582000000e-03  1.4236000000e-03  2.0011000000e-03 -2.9835000000e-03  2.3342000000e-03 -2.4275000000e-03 -1.6055000000e-03 -3.0255000000e-03
-
-JOB 48
-COORDS -1.8693560000e+00 -3.0879800000e-01 -4.0440100000e-01 -1.6281580000e+00 -9.9173500000e-01 -1.0302220000e+00 -1.0388250000e+00  1.0408600000e-01 -1.6780800000e-01  1.8192300000e+00  2.6282000000e-01  4.2783900000e-01  1.7590710000e+00  9.0454300000e-01  1.1355150000e+00  1.7347780000e+00  7.8016000000e-01 -3.7307200000e-01
-ENERGY -1.526560811976e+02
-FORCES  5.6748000000e-03 -2.3092000000e-03 -5.0300000000e-04 -1.4606000000e-03  2.9191000000e-03  1.8793000000e-03 -5.2702000000e-03  1.6130000000e-04 -2.1645000000e-03  2.9181000000e-03  5.0828000000e-03  6.9960000000e-04 -3.7710000000e-04 -2.9116000000e-03 -3.6436000000e-03 -1.4850000000e-03 -2.9424000000e-03  3.7322000000e-03
-
-JOB 49
-COORDS -3.9634500000e-01 -1.5101160000e+00 -9.9334800000e-01 -4.7284900000e-01 -7.8920900000e-01 -1.6183850000e+00 -8.0840800000e-01 -2.2537810000e+00 -1.4331190000e+00  4.3240300000e-01  1.5509100000e+00  1.1026380000e+00 -3.8535900000e-01  1.4277270000e+00  6.2064000000e-01  1.0358590000e+00  9.1529600000e-01  7.1784400000e-01
-ENERGY -1.526553850121e+02
-FORCES -2.5000000000e-03 -2.1232000000e-03 -5.0396000000e-03  5.4530000000e-04 -2.1455000000e-03  3.8151000000e-03  1.7295000000e-03  3.3497000000e-03  1.6490000000e-03 -1.1931000000e-03 -5.1176000000e-03 -2.7989000000e-03  3.2290000000e-03  1.8568000000e-03  1.1247000000e-03 -1.8107000000e-03  4.1799000000e-03  1.2497000000e-03
-
-JOB 50
-COORDS  1.2816630000e+00 -1.3589500000e+00  3.7009600000e-01  1.9422750000e+00 -6.9632600000e-01  5.7197000000e-01  7.6157200000e-01 -1.4309460000e+00  1.1704410000e+00 -1.3510070000e+00  1.3150290000e+00 -4.2046900000e-01 -7.6610700000e-01  2.0472820000e+00 -2.2571400000e-01 -7.8956100000e-01  6.6536300000e-01 -8.4348800000e-01
-ENERGY -1.526564117540e+02
-FORCES  1.0870000000e-03  1.0171000000e-03  5.6309000000e-03 -3.1914000000e-03 -2.2339000000e-03 -1.4068000000e-03  2.7074000000e-03  2.7320000000e-04 -3.6655000000e-03  5.0877000000e-03 -6.9720000000e-04 -1.6567000000e-03 -2.1862000000e-03 -2.7873000000e-03 -3.7500000000e-04 -3.5045000000e-03  4.4281000000e-03  1.4732000000e-03
-
-JOB 51
-COORDS -1.8933360000e+00 -9.4907000000e-02 -4.8698200000e-01 -1.7099330000e+00 -4.4947400000e-01  3.8300500000e-01 -1.5483160000e+00 -7.5194800000e-01 -1.0915400000e+00  1.9063180000e+00  1.1014100000e-01  4.6727600000e-01  1.4104090000e+00  3.7819700000e-01  1.2408730000e+00  1.5726130000e+00  6.6663800000e-01 -2.3641700000e-01
-ENERGY -1.526557381674e+02
-FORCES  1.7151000000e-03 -5.4853000000e-03  8.9990000000e-04 -7.0630000000e-04  2.3055000000e-03 -3.1988000000e-03 -1.6854000000e-03  3.2168000000e-03  2.2268000000e-03 -3.4381000000e-03  4.6375000000e-03 -3.4600000000e-05  1.8335000000e-03 -1.8826000000e-03 -2.7359000000e-03  2.2812000000e-03 -2.7920000000e-03  2.8426000000e-03
-
-JOB 52
-COORDS  7.0118200000e-01 -9.8707600000e-01 -1.5066400000e+00  4.6936900000e-01 -1.7531560000e+00 -2.0316310000e+00  1.3988980000e+00 -1.2948210000e+00 -9.2809200000e-01 -7.2964100000e-01  9.9482100000e-01  1.5502360000e+00  7.3070000000e-03  1.5836940000e+00  1.3878490000e+00 -1.3885330000e+00  1.2513850000e+00  9.0504700000e-01
-ENERGY -1.526546563806e+02
-FORCES  1.6613000000e-03 -4.8263000000e-03  1.2366000000e-03  8.7890000000e-04  3.1790000000e-03  2.0162000000e-03 -2.2489000000e-03  1.3269000000e-03 -3.0200000000e-03  4.1710000000e-04  2.7510000000e-03 -5.0644000000e-03 -2.6775000000e-03 -2.1213000000e-03  1.3868000000e-03  1.9692000000e-03 -3.0930000000e-04  3.4448000000e-03
-
-JOB 53
-COORDS -7.3562400000e-01  1.1081130000e+00  1.4051790000e+00 -7.7650800000e-01  1.1580470000e+00  2.3602010000e+00 -1.6508460000e+00  1.1174540000e+00  1.1249760000e+00  8.2071600000e-01 -1.1035580000e+00 -1.4949350000e+00  8.2810600000e-01 -5.3290300000e-01 -7.2647500000e-01  2.3021900000e-01 -1.8184550000e+00 -1.2573070000e+00
-ENERGY -1.526570071680e+02
-FORCES -4.5755000000e-03  1.5936000000e-03  3.6762000000e-03 -8.5400000000e-05 -2.7390000000e-04 -4.1071000000e-03  3.9953000000e-03 -4.4750000000e-04  1.3966000000e-03 -2.4223000000e-03  4.5260000000e-04  5.2151000000e-03  9.9650000000e-04 -3.6977000000e-03 -4.8589000000e-03  2.0913000000e-03  2.3728000000e-03 -1.3219000000e-03
-
-JOB 54
-COORDS -1.1049730000e+00  1.6356300000e+00  2.8328900000e-01 -1.3762130000e+00  1.8316620000e+00  1.1800790000e+00 -1.4632430000e+00  7.6528100000e-01  1.0902700000e-01  1.1762390000e+00 -1.6230640000e+00 -3.7264400000e-01  6.6734400000e-01 -2.0765590000e+00  2.9936800000e-01  1.0480280000e+00 -6.9339600000e-01 -1.8419700000e-01
-ENERGY -1.526553573993e+02
-FORCES -4.5249000000e-03 -1.1565000000e-03  2.7290000000e-03  1.3509000000e-03 -1.2215000000e-03 -3.9092000000e-03  2.9868000000e-03  3.3859000000e-03  1.4370000000e-03 -1.3304000000e-03  2.6306000000e-03  3.5270000000e-03  1.4129000000e-03  2.0309000000e-03 -2.8699000000e-03  1.0470000000e-04 -5.6693000000e-03 -9.1380000000e-04
-
-JOB 55
-COORDS  5.6955800000e-01  7.8586300000e-01 -1.8106070000e+00  1.4336160000e+00  5.9567800000e-01 -1.4452770000e+00 -4.5762000000e-02  4.5716400000e-01 -1.1551910000e+00 -5.8953200000e-01 -7.1237300000e-01  1.7056710000e+00 -1.2211660000e+00 -1.2615890000e+00  2.1700330000e+00  2.5836000000e-01 -9.5421700000e-01  2.0782610000e+00
-ENERGY -1.526567195813e+02
-FORCES  6.2800000000e-05 -2.4158000000e-03  5.3368000000e-03 -2.7523000000e-03  7.7270000000e-04 -1.6528000000e-03  3.1365000000e-03  2.0451000000e-03 -4.7956000000e-03  2.7900000000e-05 -3.7498000000e-03  4.8824000000e-03  2.9322000000e-03  2.2562000000e-03 -1.7124000000e-03 -3.4071000000e-03  1.0916000000e-03 -2.0584000000e-03
-
-JOB 56
-COORDS  6.9435300000e-01  9.4278700000e-01 -1.6894850000e+00  2.8132600000e-01  2.3915600000e-01 -2.1900290000e+00  1.1983670000e+00  4.9163200000e-01 -1.0122400000e+00 -6.4417600000e-01 -8.9432500000e-01  1.7195810000e+00 -6.7114100000e-01 -7.2279800000e-01  7.7826200000e-01 -1.5617770000e+00 -8.8366900000e-01  1.9918440000e+00
-ENERGY -1.526545512698e+02
-FORCES  2.3473000000e-03 -3.7719000000e-03 -4.2530000000e-04  1.0669000000e-03  2.8682000000e-03  3.1424000000e-03 -3.6518000000e-03  1.4964000000e-03 -3.0327000000e-03 -4.8037000000e-03  1.5814000000e-03 -2.3047000000e-03  1.2566000000e-03 -1.8441000000e-03  3.7103000000e-03  3.7848000000e-03 -3.2990000000e-04 -1.0899000000e-03
-
-JOB 57
-COORDS -1.0174420000e+00 -7.5672500000e-01  1.7110390000e+00 -1.3916690000e+00 -1.4319150000e+00  1.1450860000e+00 -7.6609500000e-01 -5.3707000000e-02  1.1120210000e+00  1.0107220000e+00  6.9603100000e-01 -1.6645240000e+00  8.5641200000e-01  1.4942390000e+00 -2.1697800000e+00  1.4460590000e+00  9.9720900000e-01 -8.6702400000e-01
-ENERGY -1.526555803238e+02
-FORCES -5.6670000000e-04 -2.7700000000e-04 -5.9109000000e-03  1.1027000000e-03  2.4538000000e-03  2.8726000000e-03 -6.6520000000e-04 -2.1710000000e-03  3.8528000000e-03  2.7222000000e-03  4.8133000000e-03 -2.0510000000e-04  5.3680000000e-04 -3.4525000000e-03  2.3816000000e-03 -3.1298000000e-03 -1.3667000000e-03 -2.9910000000e-03
-
-JOB 58
-COORDS  2.0696420000e+00 -1.8391100000e-01 -1.5905700000e-01  2.8092450000e+00 -1.9839100000e-01 -7.6651800000e-01  1.3919410000e+00  3.1253200000e-01 -6.1785600000e-01 -2.0112530000e+00  1.6149300000e-01  2.0857000000e-01 -2.5534830000e+00 -6.1493900000e-01  6.9388000000e-02 -2.6146550000e+00  8.1552800000e-01  5.6123900000e-01
-ENERGY -1.526552191550e+02
-FORCES -1.1261000000e-03  2.1587000000e-03 -4.0360000000e-03 -2.9197000000e-03 -1.7400000000e-05  2.4140000000e-03  4.6554000000e-03 -1.8304000000e-03  1.1953000000e-03 -5.0020000000e-03 -1.0965000000e-03  1.6661000000e-03  1.9448000000e-03  3.4548000000e-03  4.0630000000e-04  2.4476000000e-03 -2.6692000000e-03 -1.6456000000e-03
-
-JOB 59
-COORDS -2.7959100000e-01 -1.4034230000e+00  1.5006820000e+00  2.5694100000e-01 -1.5742560000e+00  7.2661500000e-01 -7.1481000000e-01 -2.2369430000e+00  1.6797360000e+00  2.9605600000e-01  1.4845390000e+00 -1.5250000000e+00  3.0906600000e-01  1.8912900000e+00 -6.5861900000e-01 -1.2002300000e-01  6.3401300000e-01 -1.3845890000e+00
-ENERGY -1.526550545684e+02
-FORCES  6.6510000000e-04 -5.3477000000e-03 -1.1756000000e-03 -3.0996000000e-03  1.7146000000e-03  2.5583000000e-03  1.9313000000e-03  3.5532000000e-03 -8.8780000000e-04 -2.5078000000e-03 -1.1815000000e-03  4.8162000000e-03  3.8770000000e-04 -1.3861000000e-03 -4.0979000000e-03  2.6232000000e-03  2.6475000000e-03 -1.2133000000e-03
-
-JOB 60
-COORDS  2.0662900000e+00  2.8149300000e-01  1.7370700000e-01  1.7059080000e+00 -5.9335300000e-01  3.1862200000e-01  2.9975330000e+00  1.9415900000e-01  3.7715700000e-01 -2.1043880000e+00 -2.4403200000e-01 -1.2729300000e-01 -1.3331970000e+00  1.4511500000e-01 -5.3967600000e-01 -2.6945860000e+00 -4.3674800000e-01 -8.5582500000e-01
-ENERGY -1.526555985720e+02
-FORCES  3.1292000000e-03 -3.9040000000e-03  2.2808000000e-03  1.3853000000e-03  4.0535000000e-03 -1.4003000000e-03 -3.7593000000e-03  1.9700000000e-04 -8.3070000000e-04  6.7800000000e-04  1.8291000000e-03 -4.7213000000e-03 -3.8074000000e-03 -2.8482000000e-03  1.7059000000e-03  2.3742000000e-03  6.7270000000e-04  2.9657000000e-03
-
-JOB 61
-COORDS -1.7116000000e-01 -7.2366800000e-01 -2.0704050000e+00  4.3640700000e-01 -5.8917600000e-01 -1.3430770000e+00 -9.1629400000e-01 -1.5779100000e-01 -1.8684370000e+00  1.5533000000e-01  6.7127900000e-01  1.9458060000e+00 -3.5700400000e-01  6.3110500000e-01  2.7533530000e+00  1.0383750000e+00  9.0346200000e-01  2.2331280000e+00
-ENERGY -1.526561944565e+02
-FORCES -7.4450000000e-04  3.1825000000e-03  5.2257000000e-03 -1.5654000000e-03 -1.0085000000e-03 -4.2694000000e-03  2.5041000000e-03 -2.3214000000e-03 -1.7817000000e-03  1.1876000000e-03  9.0520000000e-04  5.5584000000e-03  2.2863000000e-03  3.6120000000e-04 -3.2648000000e-03 -3.6681000000e-03 -1.1190000000e-03 -1.4682000000e-03
-
-JOB 62
-COORDS -1.9596480000e+00 -5.9967700000e-01 -3.9980400000e-01 -2.7654380000e+00 -1.5777000000e-01 -1.3212600000e-01 -2.1661350000e+00 -9.7843300000e-01 -1.2542850000e+00  1.9989410000e+00  5.9833200000e-01  3.6322500000e-01  1.6030580000e+00  3.2932000000e-02  1.0264230000e+00  2.6612910000e+00  1.0992390000e+00  8.3926900000e-01
-ENERGY -1.526542508453e+02
-FORCES -3.8476000000e-03  7.4680000000e-04 -3.1574000000e-03  3.2382000000e-03 -1.9448000000e-03 -9.0440000000e-04  4.8970000000e-04  1.3578000000e-03  3.6449000000e-03 -7.6800000000e-05 -7.6550000000e-04  4.5674000000e-03  2.8879000000e-03  2.5010000000e-03 -2.1696000000e-03 -2.6914000000e-03 -1.8953000000e-03 -1.9810000000e-03
-
-JOB 63
-COORDS  1.6205220000e+00  4.7413700000e-01  1.3341350000e+00  2.1255020000e+00  9.6090900000e-01  1.9855020000e+00  8.9658500000e-01  9.0713000000e-02  1.8292430000e+00 -1.5714980000e+00 -4.2778200000e-01 -1.3832340000e+00 -1.4070880000e+00 -1.0765970000e+00 -2.0675150000e+00 -2.3945450000e+00 -7.0601300000e-01 -9.8147100000e-01
-ENERGY -1.526534508835e+02
-FORCES -1.7599000000e-03  4.1230000000e-04  4.1153000000e-03 -2.0076000000e-03 -1.9685000000e-03 -2.7326000000e-03  3.4330000000e-03  1.4530000000e-03 -1.1867000000e-03 -2.2065000000e-03 -3.7551000000e-03 -1.7596000000e-03 -9.9510000000e-04  2.6508000000e-03  2.8016000000e-03  3.5362000000e-03  1.2075000000e-03 -1.2380000000e-03
-
-JOB 64
-COORDS  2.6642400000e-01 -1.5337540000e+00 -1.5186560000e+00  1.0191530000e+00 -1.2688640000e+00 -9.9001200000e-01  3.7347700000e-01 -2.4781210000e+00 -1.6324250000e+00 -2.8922400000e-01  1.5940880000e+00  1.5516860000e+00 -5.3069500000e-01  2.1453830000e+00  8.0737600000e-01 -5.2762800000e-01  7.0746500000e-01  1.2809560000e+00
-ENERGY -1.526556310579e+02
-FORCES  4.1197000000e-03 -3.5322000000e-03  7.2250000000e-04 -3.9346000000e-03 -9.6270000000e-04 -1.8381000000e-03 -3.7790000000e-04  3.9829000000e-03  5.3820000000e-04 -2.8827000000e-03 -1.3621000000e-03 -4.4899000000e-03  1.2417000000e-03 -1.9293000000e-03  3.2673000000e-03  1.8337000000e-03  3.8033000000e-03  1.8000000000e-03
-
-JOB 65
-COORDS  1.1896020000e+00 -1.4354450000e+00  1.2832750000e+00  1.0300940000e+00 -1.9022790000e+00  4.6299800000e-01  5.1013800000e-01 -7.6185000000e-01  1.3120930000e+00 -1.0756010000e+00  1.4090910000e+00 -1.2722090000e+00 -1.1985690000e+00  1.7283240000e+00 -3.7822800000e-01 -1.9634900000e+00  1.2694820000e+00 -1.6014430000e+00
-ENERGY -1.526546746247e+02
-FORCES -3.3461000000e-03  1.2438000000e-03 -4.3802000000e-03  7.8170000000e-04  1.2050000000e-03  3.7855000000e-03  2.4767000000e-03 -2.5360000000e-03  9.9630000000e-04 -4.6106000000e-03  2.0530000000e-03  1.3937000000e-03  8.1910000000e-04 -2.3603000000e-03 -3.3489000000e-03  3.8791000000e-03  3.9450000000e-04  1.5537000000e-03
-
-JOB 66
-COORDS  2.1474100000e+00  4.2131000000e-01 -2.1861000000e-02  2.7162120000e+00  7.6435500000e-01  6.6735400000e-01  2.0438200000e+00 -5.0595700000e-01  1.9186200000e-01 -2.1167300000e+00 -4.1208200000e-01 -4.2261000000e-02 -2.9714510000e+00 -7.5245100000e-01 -3.0651900000e-01 -2.3150190000e+00  2.3583600000e-01  6.3384300000e-01
-ENERGY -1.526539868592e+02
-FORCES  1.1518000000e-03 -3.0035000000e-03  3.3311000000e-03 -2.4204000000e-03 -1.2109000000e-03 -2.7214000000e-03  1.3790000000e-03  3.9008000000e-03 -6.3220000000e-04 -4.1166000000e-03  2.0062000000e-03  1.4431000000e-03  3.5697000000e-03  1.3018000000e-03  1.1020000000e-03  4.3640000000e-04 -2.9945000000e-03 -2.5225000000e-03
-
-JOB 67
-COORDS -1.1991530000e+00  1.5592170000e+00  1.0606600000e+00 -3.6467400000e-01  2.0281010000e+00  1.0656750000e+00 -1.0238440000e+00  7.5212500000e-01  1.5445000000e+00  1.1226810000e+00 -1.5298400000e+00 -1.0198510000e+00  1.9215280000e+00 -1.2109820000e+00 -1.4398550000e+00  6.9135500000e-01 -2.0562690000e+00 -1.6929500000e+00
-ENERGY -1.526547653967e+02
-FORCES  4.7985000000e-03 -2.5512000000e-03  1.2456000000e-03 -3.3936000000e-03 -1.1900000000e-03  2.1150000000e-04 -1.3265000000e-03  3.8338000000e-03 -1.0924000000e-03  1.0443000000e-03 -8.0590000000e-04 -5.0624000000e-03 -3.1546000000e-03 -1.2274000000e-03  1.9111000000e-03  2.0318000000e-03  1.9406000000e-03  2.7866000000e-03
-
-JOB 68
-COORDS -2.2302040000e+00 -3.0289000000e-02  4.9350100000e-01 -1.4168060000e+00  3.6807300000e-01  8.0321500000e-01 -2.1641000000e+00  1.2300000000e-04 -4.6092900000e-01  2.1194710000e+00  2.4435000000e-02 -4.0527500000e-01  2.9645840000e+00  4.6136500000e-01 -5.1066800000e-01  2.1518140000e+00 -7.1135000000e-01 -1.0166720000e+00
-ENERGY -1.526557782122e+02
-FORCES  4.6905000000e-03  1.9340000000e-03 -2.5333000000e-03 -4.5336000000e-03 -1.4654000000e-03 -8.3500000000e-04 -8.3900000000e-04 -3.7310000000e-04  3.5012000000e-03  4.4878000000e-03 -1.5104000000e-03 -2.8317000000e-03 -3.5193000000e-03 -1.8884000000e-03  3.2980000000e-04 -2.8640000000e-04  3.3033000000e-03  2.3690000000e-03
-
-JOB 69
-COORDS -2.0079300000e+00 -1.6722500000e-01 -9.2178700000e-01 -2.1493260000e+00  7.7492700000e-01 -1.0144630000e+00 -2.5611290000e+00 -5.6046100000e-01 -1.5967440000e+00  2.0855790000e+00  1.4968500000e-01  9.3743700000e-01  1.8276330000e+00  5.6301400000e-01  1.7613640000e+00  1.5055200000e+00 -6.0746200000e-01  8.5686100000e-01
-ENERGY -1.526551683802e+02
-FORCES -2.7659000000e-03  2.5972000000e-03 -3.6224000000e-03  2.0640000000e-04 -3.9668000000e-03  5.0910000000e-04  2.2142000000e-03  1.6082000000e-03  2.8081000000e-03 -4.3097000000e-03 -1.7445000000e-03  2.4938000000e-03  1.2484000000e-03 -1.3983000000e-03 -3.1411000000e-03  3.4066000000e-03  2.9042000000e-03  9.5260000000e-04
-
-JOB 70
-COORDS  9.1297000000e-02  2.3314890000e+00 -2.0491700000e-01 -1.4723600000e-01  1.7016510000e+00  4.7525800000e-01 -2.5024300000e-01  1.9514530000e+00 -1.0143340000e+00  9.0600000000e-03 -2.2622250000e+00  2.5079500000e-01 -3.7034100000e-01 -1.7804360000e+00 -4.8416500000e-01 -6.5145900000e-01 -2.9178890000e+00  4.7451600000e-01
-ENERGY -1.526539661858e+02
-FORCES -1.8303000000e-03 -4.1217000000e-03  3.6900000000e-05  4.8650000000e-04  3.0139000000e-03 -3.3751000000e-03  1.1805000000e-03  1.1621000000e-03  3.1953000000e-03 -3.9901000000e-03 -1.9415000000e-03 -2.2831000000e-03  1.3815000000e-03 -1.0647000000e-03  3.3959000000e-03  2.7719000000e-03  2.9518000000e-03 -9.7000000000e-04
-
-JOB 71
-COORDS -6.1923100000e-01  2.0076840000e+00 -8.9469100000e-01 -7.1562200000e-01  2.5638240000e+00 -1.2161300000e-01 -9.2948900000e-01  2.5494580000e+00 -1.6202620000e+00  6.3931300000e-01 -2.0776620000e+00  9.5884100000e-01  1.9706700000e-01 -1.4470590000e+00  3.9051800000e-01  1.1489840000e+00 -2.6238520000e+00  3.6039000000e-01
-ENERGY -1.526557551614e+02
-FORCES -1.6906000000e-03  5.1550000000e-03  1.5320000000e-04  2.9080000000e-04 -2.3151000000e-03 -3.3684000000e-03  1.2779000000e-03 -2.1600000000e-03  3.0238000000e-03  1.1910000000e-04  1.1310000000e-03 -5.1512000000e-03  1.9432000000e-03 -3.7049000000e-03  2.9101000000e-03 -1.9404000000e-03  1.8940000000e-03  2.4326000000e-03
-
-JOB 72
-COORDS  2.1969440000e+00 -4.0130000000e-01  9.5764100000e-01  1.3115000000e+00 -7.1950200000e-01  7.8166700000e-01  2.5070500000e+00 -7.5108000000e-02  1.1285400000e-01 -2.1483230000e+00  3.5296100000e-01 -9.4555900000e-01 -1.5847690000e+00  1.0261050000e+00 -5.6409500000e-01 -3.0161450000e+00  5.3351000000e-01 -5.8428500000e-01
-ENERGY -1.526549594501e+02
-FORCES -2.2109000000e-03 -8.5460000000e-04 -4.4181000000e-03  3.9108000000e-03  2.0109000000e-03  1.1060000000e-03 -1.3141000000e-03 -9.5370000000e-04  3.5940000000e-03 -2.2545000000e-03  3.9429000000e-03  2.8196000000e-03 -1.7969000000e-03 -3.4327000000e-03 -1.5767000000e-03  3.6655000000e-03 -7.1280000000e-04 -1.5247000000e-03
-
-JOB 73
-COORDS -2.1362150000e+00 -2.4521300000e-01  1.1117190000e+00 -1.4769170000e+00  2.5626600000e-01  6.3205400000e-01 -1.8861180000e+00 -1.5277100000e-01  2.0310320000e+00  2.1276320000e+00  2.4083200000e-01 -1.1295010000e+00  1.2066880000e+00  5.0147000000e-01 -1.1422490000e+00  2.1092560000e+00 -7.1053900000e-01 -1.2333580000e+00
-ENERGY -1.526536748968e+02
-FORCES  3.4331000000e-03  2.6738000000e-03  2.6571000000e-03 -2.2349000000e-03 -2.3361000000e-03  9.9430000000e-04 -1.1590000000e-03 -4.5460000000e-04 -3.9658000000e-03 -3.3574000000e-03 -3.2903000000e-03 -1.2859000000e-03  3.2270000000e-03 -8.0380000000e-04  1.0323000000e-03  9.1200000000e-05  4.2110000000e-03  5.6800000000e-04
-
-JOB 74
-COORDS -1.8485400000e-01  5.5786300000e-01 -2.4117120000e+00  3.1320400000e-01  6.3952600000e-01 -1.5983850000e+00 -1.0916620000e+00  4.4350000000e-01 -2.1273650000e+00  2.1673000000e-01 -5.7489300000e-01  2.2727820000e+00 -3.0651800000e-01 -1.0219330000e+00  2.9380620000e+00  6.2082000000e-01  1.5780100000e-01  2.7376500000e+00
-ENERGY -1.526553111750e+02
-FORCES -1.5534000000e-03 -7.8260000000e-04  5.2774000000e-03 -1.7629000000e-03  4.0500000000e-04 -4.0253000000e-03  3.3128000000e-03  7.0060000000e-04 -1.6321000000e-03 -3.8600000000e-04  5.8420000000e-04  5.3321000000e-03  2.1539000000e-03  1.9978000000e-03 -2.7079000000e-03 -1.7644000000e-03 -2.9050000000e-03 -2.2442000000e-03
-
-JOB 75
-COORDS  1.6220990000e+00 -5.6505200000e-01  1.9219820000e+00  1.3483870000e+00  1.3670700000e-01  1.3313480000e+00  1.7505090000e+00 -1.3201600000e-01  2.7659140000e+00 -1.6197060000e+00  4.6294000000e-01 -1.8921600000e+00 -8.5696900000e-01  6.4229800000e-01 -2.4419740000e+00 -2.2743030000e+00  1.1019220000e+00 -2.1740060000e+00
-ENERGY -1.526542241525e+02
-FORCES -1.3318000000e-03  4.5452000000e-03  8.0150000000e-04  1.9195000000e-03 -2.6761000000e-03  2.5710000000e-03 -3.9800000000e-04 -1.7412000000e-03 -3.3598000000e-03  5.8000000000e-06  2.9468000000e-03 -3.8888000000e-03 -2.9911000000e-03 -4.9900000000e-04  2.6405000000e-03  2.7955000000e-03 -2.5757000000e-03  1.2356000000e-03
-
-JOB 76
-COORDS -8.3597300000e-01  2.4809780000e+00  1.6651700000e-01 -1.3210120000e+00  2.6742290000e+00  9.6877800000e-01 -1.4094350000e+00  1.8928190000e+00 -3.2485100000e-01  8.7952000000e-01 -2.5253560000e+00 -1.7061700000e-01  8.6835800000e-01 -1.7802210000e+00  4.3011700000e-01  1.1567430000e+00 -2.1541900000e+00 -1.0082420000e+00
-ENERGY -1.526548083366e+02
-FORCES -4.8446000000e-03 -9.3550000000e-04  1.2398000000e-03  2.1080000000e-03 -9.3720000000e-04 -3.3121000000e-03  2.7649000000e-03  2.1907000000e-03  2.0919000000e-03  1.5827000000e-03  4.7714000000e-03 -8.6560000000e-04 -2.6530000000e-04 -3.4140000000e-03 -2.4337000000e-03 -1.3457000000e-03 -1.6755000000e-03  3.2797000000e-03
-
-JOB 77
-COORDS  3.1830800000e-01  1.2895360000e+00 -2.4533210000e+00  9.7653000000e-02  8.6878200000e-01 -1.6223530000e+00 -2.8744200000e-01  2.0279670000e+00 -2.5167170000e+00 -2.7556500000e-01 -1.3057640000e+00  2.4729550000e+00 -5.1874100000e-01 -6.3135100000e-01  1.8387120000e+00  7.2005000000e-02 -2.0214900000e+00  1.9408240000e+00
-ENERGY -1.526532846222e+02
-FORCES -3.3343000000e-03  1.7301000000e-03  2.7707000000e-03  7.9320000000e-04  1.3187000000e-03 -2.9359000000e-03  2.5219000000e-03 -3.2122000000e-03  3.7820000000e-04  5.4040000000e-04 -5.5940000000e-04 -4.3916000000e-03  1.0347000000e-03 -2.5070000000e-03  2.0853000000e-03 -1.5559000000e-03  3.2299000000e-03  2.0932000000e-03
-
-JOB 78
-COORDS  8.5306300000e-01  2.2720190000e+00 -1.5275740000e+00  1.3812850000e+00  3.0682310000e+00 -1.5846760000e+00  8.3866000000e-01  2.0599990000e+00 -5.9426200000e-01 -8.8486000000e-01 -2.2723150000e+00  1.4241190000e+00 -1.1676410000e+00 -1.9705570000e+00  2.2873740000e+00 -5.9178800000e-01 -3.1720310000e+00  1.5685220000e+00
-ENERGY -1.526540147903e+02
-FORCES  1.9199000000e-03  1.8779000000e-03  3.7331000000e-03 -2.1316000000e-03 -3.1958000000e-03  2.0500000000e-04  2.3470000000e-04  1.4086000000e-03 -3.8226000000e-03 -1.1860000000e-04 -2.7744000000e-03  3.9092000000e-03  1.3018000000e-03 -1.0418000000e-03 -3.5389000000e-03 -1.2062000000e-03  3.7255000000e-03 -4.8590000000e-04
-
-JOB 79
-COORDS  2.1221820000e+00 -1.8043850000e+00 -9.6223400000e-01  1.3144010000e+00 -1.3517050000e+00 -7.1974300000e-01  1.8709690000e+00 -2.3682260000e+00 -1.6938120000e+00 -2.0054980000e+00  1.7762390000e+00  9.9669700000e-01 -2.4533100000e+00  2.3027980000e+00  1.6588390000e+00 -2.5481300000e+00  1.8639190000e+00  2.1305600000e-01
-ENERGY -1.526545290838e+02
-FORCES -4.4902000000e-03 -1.4550000000e-04 -1.6057000000e-03  3.4986000000e-03 -2.2224000000e-03 -1.4159000000e-03  1.0330000000e-03  2.2353000000e-03  2.8601000000e-03 -4.1200000000e-03  2.8843000000e-03 -1.3570000000e-04  1.7404000000e-03 -2.1591000000e-03 -2.8032000000e-03  2.3383000000e-03 -5.9260000000e-04  3.1003000000e-03
-
-JOB 80
-COORDS  1.6276180000e+00 -1.9155430000e+00  1.6388970000e+00  2.1679710000e+00 -1.6753530000e+00  8.8619500000e-01  1.1238090000e+00 -1.1255150000e+00  1.8345090000e+00 -1.5956540000e+00  1.9056910000e+00 -1.5865760000e+00 -2.1315950000e+00  1.9632480000e+00 -2.3775790000e+00 -1.7754950000e+00  1.0326060000e+00 -1.2378450000e+00
-ENERGY -1.526544094114e+02
-FORCES  5.2200000000e-04  4.4174000000e-03 -2.1053000000e-03 -2.3260000000e-03 -1.1413000000e-03  3.0383000000e-03  1.7904000000e-03 -3.4319000000e-03 -8.9980000000e-04 -3.2844000000e-03 -3.1934000000e-03 -2.0785000000e-03  2.2238000000e-03 -2.5290000000e-04  3.2611000000e-03  1.0741000000e-03  3.6021000000e-03 -1.2157000000e-03
-
-JOB 81
-COORDS -8.9454500000e-01 -2.9567100000e-01  2.8102800000e+00 -5.7852400000e-01 -4.3669800000e-01  3.7027340000e+00 -4.3239700000e-01 -9.4963500000e-01  2.2858930000e+00  8.4710400000e-01  3.3269800000e-01 -2.8974540000e+00  2.0835600000e-01  1.9926300000e-01 -2.1971480000e+00  1.6556070000e+00  5.6931300000e-01 -2.4429580000e+00
-ENERGY -1.526541610820e+02
-FORCES  2.9628000000e-03 -3.4085000000e-03  2.0584000000e-03 -1.2514000000e-03  5.7690000000e-04 -3.7481000000e-03 -1.7845000000e-03  2.9656000000e-03  1.7225000000e-03  4.8080000000e-04  8.3750000000e-04  4.6869000000e-03  2.8130000000e-03  1.9490000000e-04 -2.8813000000e-03 -3.2208000000e-03 -1.1664000000e-03 -1.8385000000e-03
-
-JOB 82
-COORDS -2.7646510000e+00 -1.3717980000e+00  1.3204800000e-01 -2.8300210000e+00 -5.1438100000e-01  5.5251800000e-01 -1.9033050000e+00 -1.7003690000e+00  3.8964500000e-01  2.7023290000e+00  1.4047790000e+00 -1.7065500000e-01  3.4040710000e+00  1.0119760000e+00 -6.8978500000e-01  2.3583710000e+00  6.8178900000e-01  3.5395000000e-01
-ENERGY -1.526538271303e+02
-FORCES  3.0622000000e-03  2.3696000000e-03  2.6535000000e-03  3.2640000000e-04 -3.6737000000e-03 -1.6288000000e-03 -3.2979000000e-03  1.3011000000e-03 -1.0029000000e-03  1.7817000000e-03 -4.4597000000e-03 -2.0110000000e-04 -2.9253000000e-03  1.5848000000e-03  2.2226000000e-03  1.0529000000e-03  2.8780000000e-03 -2.0433000000e-03
-
-JOB 83
-COORDS -1.3244000000e-02  1.1039530000e+00  2.8264480000e+00 -7.8257800000e-01  1.3175220000e+00  3.3544130000e+00  3.5861700000e-01  1.9535570000e+00  2.5895410000e+00  6.2090000000e-03 -1.2051220000e+00 -2.8955740000e+00 -1.9516900000e-01 -3.6118200000e-01 -2.4912930000e+00  7.8851300000e-01 -1.5106360000e+00 -2.4363420000e+00
-ENERGY -1.526544370674e+02
-FORCES -1.7431000000e-03  4.3357000000e-03  1.6506000000e-03  3.2028000000e-03 -8.1400000000e-04 -2.2262000000e-03 -1.5083000000e-03 -3.5673000000e-03  7.0080000000e-04  2.2929000000e-03  2.0878000000e-03  3.9918000000e-03  8.1450000000e-04 -3.2622000000e-03 -1.9761000000e-03 -3.0586000000e-03  1.2200000000e-03 -2.1409000000e-03
-
-JOB 84
-COORDS -8.2617800000e-01 -9.7852600000e-01 -2.9664900000e+00 -6.8303200000e-01 -1.7954670000e+00 -2.4886330000e+00 -1.3999480000e+00 -1.2226710000e+00 -3.6927220000e+00  7.9288000000e-01  1.0035560000e+00  2.9876410000e+00  1.6245890000e+00  7.2943700000e-01  2.6011820000e+00  9.3649600000e-01  1.9141970000e+00  3.2452050000e+00
-ENERGY -1.526540586819e+02
-FORCES -1.9336000000e-03 -4.3047000000e-03 -7.7070000000e-04 -4.5510000000e-04  3.2739000000e-03 -2.1100000000e-03  2.3699000000e-03  1.0020000000e-03  2.9024000000e-03  3.8949000000e-03  2.7452000000e-03 -8.5300000000e-04 -3.3251000000e-03  1.0027000000e-03  1.7436000000e-03 -5.5100000000e-04 -3.7191000000e-03 -9.1230000000e-04
-
-JOB 85
-COORDS  2.7669820000e+00 -1.8654730000e+00 -9.6395400000e-01  2.7656330000e+00 -2.1979770000e+00 -1.8615460000e+00  2.6859410000e+00 -9.1650200000e-01 -1.0594450000e+00 -2.7587440000e+00  1.8957850000e+00  1.0103240000e+00 -2.7731690000e+00  1.3932220000e+00  1.8248510000e+00 -2.8124770000e+00  1.2351520000e+00  3.1973800000e-01
-ENERGY -1.526542915265e+02
-FORCES -9.5700000000e-05  2.5958000000e-03 -4.0636000000e-03 -8.7800000000e-05  1.3390000000e-03  3.6782000000e-03  2.2710000000e-04 -3.9795000000e-03  3.7430000000e-04 -3.3180000000e-04 -4.8549000000e-03  6.5090000000e-04  2.2800000000e-05  2.1164000000e-03 -3.3439000000e-03  2.6530000000e-04  2.7831000000e-03  2.7041000000e-03
-
-JOB 86
-COORDS  4.1666900000e-01  3.7180380000e+00  1.2065300000e-01  9.6325900000e-01  4.4148540000e+00  4.8386000000e-01 -4.6689400000e-01  3.9215190000e+00  4.2748100000e-01 -3.8091900000e-01 -3.8331680000e+00 -1.3729200000e-01 -2.7236100000e-01 -3.4280230000e+00 -9.9770200000e-01 -7.4897800000e-01 -3.1394020000e+00  4.0993100000e-01
-ENERGY -1.526543119005e+02
-FORCES -1.2548000000e-03  3.8609000000e-03  2.7397000000e-03 -2.2748000000e-03 -2.8567000000e-03 -1.4797000000e-03  3.5725000000e-03 -9.6020000000e-04 -1.2613000000e-03 -9.0300000000e-04  4.6822000000e-03 -1.3015000000e-03 -5.1460000000e-04 -1.7856000000e-03  3.4638000000e-03  1.3748000000e-03 -2.9406000000e-03 -2.1609000000e-03
-
-JOB 87
-COORDS -1.1453780000e+00  1.8811350000e+00  3.4097020000e+00 -8.9115900000e-01  2.3675310000e+00  2.6254670000e+00 -1.0148780000e+00  9.6235600000e-01  3.1750800000e+00  1.1460550000e+00 -1.8813620000e+00 -3.3880050000e+00  1.3524510000e+00 -1.0137640000e+00 -3.0402890000e+00  4.1988900000e-01 -2.1904610000e+00 -2.8463660000e+00
-ENERGY -1.526537701157e+02
-FORCES  1.5535000000e-03 -1.6827000000e-03 -3.9850000000e-03 -1.0251000000e-03 -2.0973000000e-03  3.1191000000e-03 -5.2070000000e-04  3.7553000000e-03  8.1410000000e-04 -2.0920000000e-03  2.1942000000e-03  3.4544000000e-03 -9.0770000000e-04 -3.5309000000e-03 -1.2928000000e-03  2.9920000000e-03  1.3615000000e-03 -2.1098000000e-03
-
-JOB 88
-COORDS  3.6687440000e+00  2.3713070000e+00 -1.4540600000e-01  3.9639870000e+00  2.1180020000e+00 -1.0199920000e+00  3.8287420000e+00  1.5978190000e+00  3.9528700000e-01 -3.6628840000e+00 -2.2956880000e+00  2.2688800000e-01 -4.2123460000e+00 -1.7110820000e+00 -2.9518500000e-01 -3.6646570000e+00 -3.1219080000e+00 -2.5642300000e-01
-ENERGY -1.526540743003e+02
-FORCES  1.7435000000e-03 -4.2654000000e-03 -1.2895000000e-03 -1.1759000000e-03  1.0615000000e-03  3.5278000000e-03 -5.5770000000e-04  3.1882000000e-03 -2.2364000000e-03 -2.2954000000e-03 -8.9750000000e-04 -4.0880000000e-03  2.2357000000e-03 -2.4383000000e-03  2.1159000000e-03  4.9700000000e-05  3.3515000000e-03  1.9702000000e-03
-
-JOB 89
-COORDS  8.6487200000e-01 -8.9978700000e-01  4.4522050000e+00  7.4941700000e-01  4.9225000000e-02  4.4999270000e+00  1.4291780000e+00 -1.0349120000e+00  3.6909350000e+00 -9.4939400000e-01  8.5957500000e-01 -4.3850870000e+00 -5.0780200000e-01  1.0405000000e-02 -4.3968140000e+00 -3.2153700000e-01  1.4621020000e+00 -4.7838200000e+00
-ENERGY -1.526540637947e+02
-FORCES  1.7349000000e-03  3.3607000000e-03 -2.9477000000e-03  5.2290000000e-04 -3.8808000000e-03 -1.6400000000e-04 -2.2461000000e-03  5.2030000000e-04  3.1078000000e-03  4.2857000000e-03 -1.0409000000e-03 -1.7876000000e-03 -1.7597000000e-03  3.4961000000e-03  1.0410000000e-04 -2.5377000000e-03 -2.4554000000e-03  1.6873000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1072000000e-02  5.4350000000e-03  9.5695300000e-01 -8.0836300000e-01  4.4158200000e-01 -2.6035700000e-01 -1.5916600000e-01 -2.4531700000e+00 -1.2824940000e+00 -9.5676200000e-01 -2.9274050000e+00 -1.0476040000e+00 -2.7467000000e-01 -1.5841580000e+00 -8.9816700000e-01
-ENERGY -1.526590379395e+02
-FORCES -3.8940000000e-04 -4.5460000000e-04  3.4503000000e-03 -9.7440000000e-04  7.1160000000e-04 -5.1318000000e-03  3.7092000000e-03 -5.8133000000e-03  9.0170000000e-04  9.5800000000e-05  1.0423100000e-02  7.0457000000e-03  2.1801000000e-03  2.9679000000e-03  1.9320000000e-04 -4.6213000000e-03 -7.8346000000e-03 -6.4591000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1057000000e-02 -6.5277000000e-02 -9.5490800000e-01  7.6690100000e-01 -4.9773600000e-01  2.8346800000e-01  2.0020790000e+00 -1.4819810000e+00  1.0659470000e+00  1.8608250000e+00 -1.5690290000e+00  2.0086570000e+00  2.7846180000e+00 -9.3600600000e-01  9.8994000000e-01
-ENERGY -1.526603820547e+02
-FORCES  1.0845000000e-02 -1.0184700000e-02  4.2425000000e-03  1.6711000000e-03 -3.5330000000e-04  3.0278000000e-03 -5.8897000000e-03  8.2666000000e-03 -4.7549000000e-03 -2.5994000000e-03  3.1405000000e-03  2.8576000000e-03  1.8549000000e-03  1.0096000000e-03 -5.1091000000e-03 -5.8818000000e-03 -1.8788000000e-03 -2.6380000000e-04
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2766200000e-01  5.3770900000e-01 -3.1242300000e-01  1.4300600000e-01 -7.2433000000e-02  9.4368100000e-01  1.6812600000e-01 -1.1507800000e-01  2.7788000000e+00  8.5339800000e-01  4.3507500000e-01  3.1582300000e+00  1.3169800000e-01 -8.8172900000e-01  3.3507700000e+00
-ENERGY -1.526604230958e+02
-FORCES  1.9585000000e-03  1.4570000000e-04  1.1936300000e-02 -1.7707000000e-03 -1.3062000000e-03  2.2842000000e-03  8.4110000000e-04  1.4399000000e-03 -1.0287300000e-02  1.0464000000e-03 -1.5970000000e-03  3.1710000000e-04 -3.0012000000e-03 -3.3469000000e-03 -2.5030000000e-03  9.2580000000e-04  4.6646000000e-03 -1.7473000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7734200000e-01  4.5648400000e-01 -3.2185900000e-01 -8.9033000000e-02 -8.9181900000e-01 -3.3610000000e-01 -2.0499370000e+00  1.2310460000e+00 -1.0319190000e+00 -2.8325830000e+00  8.4580700000e-01 -6.3785400000e-01 -2.0921470000e+00  2.1570880000e+00 -7.9339000000e-01
-ENERGY -1.526578483627e+02
-FORCES -1.6420400000e-02  9.1526000000e-03 -1.0757900000e-02  5.6677000000e-03 -4.8534000000e-03  6.1123000000e-03 -1.5896000000e-03  2.6089000000e-03  7.6970000000e-04  6.5383000000e-03 -2.5123000000e-03  5.6072000000e-03  6.0101000000e-03  1.6130000000e-03 -1.3299000000e-03 -2.0610000000e-04 -6.0089000000e-03 -4.0140000000e-04
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4608000000e-01 -4.7944000000e-02 -9.4477200000e-01 -8.8507200000e-01 -3.4289800000e-01  1.2369600000e-01  2.1959510000e+00 -1.2673510000e+00  1.3677470000e+00  1.3725360000e+00 -8.3142300000e-01  1.1482310000e+00  2.8674480000e+00 -7.4955800000e-01  9.2366000000e-01
-ENERGY -1.526606486198e+02
-FORCES -9.9740000000e-04 -2.7737000000e-03 -3.9289000000e-03 -1.3562000000e-03  6.6310000000e-04  4.4050000000e-03  4.7066000000e-03  1.3071000000e-03 -8.3160000000e-04 -6.8713000000e-03  7.4391000000e-03 -6.1548000000e-03  6.0323000000e-03 -4.7016000000e-03  5.7124000000e-03 -1.5140000000e-03 -1.9339000000e-03  7.9790000000e-04
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4546600000e-01 -8.9307200000e-01 -3.1224000000e-01  9.7083000000e-02 -5.9257000000e-02  9.5041900000e-01 -2.0906230000e+00  1.3024250000e+00 -9.2486200000e-01 -1.3375160000e+00  8.3156900000e-01 -5.6799300000e-01 -1.8277240000e+00  1.5360570000e+00 -1.8151040000e+00
-ENERGY -1.526594007511e+02
-FORCES -8.1080000000e-03  2.0160000000e-03 -1.7669000000e-03 -3.2810000000e-04  4.7102000000e-03  2.4352000000e-03 -6.1280000000e-04 -9.1280000000e-04 -5.4743000000e-03  1.6318500000e-02 -8.5008000000e-03  5.1621000000e-03 -7.3923000000e-03  4.4250000000e-03 -2.6089000000e-03  1.2260000000e-04 -1.7376000000e-03  2.2529000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0036000000e-02  9.5410000000e-03  9.5526800000e-01 -6.5976000000e-02 -9.2753500000e-01 -2.2706200000e-01 -1.0257400000e-01 -2.5040890000e+00 -1.1507390000e+00 -9.1630000000e-02 -2.6000660000e+00 -2.1030520000e+00 -6.4302800000e-01 -3.2314700000e+00 -8.4242400000e-01
-ENERGY -1.526607197881e+02
-FORCES  1.6020000000e-04 -1.1219800000e-02 -3.5460000000e-03 -6.2860000000e-04 -1.7788000000e-03 -3.0148000000e-03 -5.2700000000e-05  8.4155000000e-03  6.0127000000e-03 -1.3838000000e-03  2.5952000000e-03 -2.4491000000e-03 -7.4510000000e-04 -1.6520000000e-03  4.7021000000e-03  2.6499000000e-03  3.6399000000e-03 -1.7048000000e-03
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0721800000e-01 -4.1912400000e-01 -4.9031700000e-01  7.8284900000e-01 -4.9828300000e-01 -2.3471900000e-01  2.2319790000e+00 -1.1268560000e+00 -1.0651540000e+00  2.1490180000e+00 -2.0061360000e+00 -6.9608100000e-01  2.9488290000e+00 -7.2666300000e-01 -5.7301300000e-01
-ENERGY -1.526580243261e+02
-FORCES  1.1771300000e-02 -6.7013000000e-03 -9.7433000000e-03  2.5649000000e-03  1.8130000000e-04  1.5076000000e-03 -6.8472000000e-03  6.3020000000e-04  7.9881000000e-03  8.9190000000e-04  1.4200000000e-03  2.4021000000e-03 -2.8217000000e-03  7.1068000000e-03 -4.4240000000e-04 -5.5592000000e-03 -2.6370000000e-03 -1.7120000000e-03
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5648100000e-01  2.0781300000e-01  5.4843600000e-01  7.2664300000e-01  4.7473200000e-01  4.0354800000e-01  2.2348520000e+00  1.2688450000e+00  1.1658730000e+00  2.9840030000e+00  9.1004400000e-01  6.9020000000e-01  2.1758520000e+00  2.1774300000e+00  8.7053400000e-01
-ENERGY -1.526613655289e+02
-FORCES  8.1840000000e-03  5.4537000000e-03  8.0547000000e-03  2.6485000000e-03  2.8350000000e-04 -1.4502000000e-03 -8.4679000000e-03 -3.5199000000e-03 -6.6353000000e-03  3.2099000000e-03  1.0169000000e-03 -2.8119000000e-03 -4.7315000000e-03  2.4727000000e-03  1.9819000000e-03 -8.4300000000e-04 -5.7069000000e-03  8.6090000000e-04
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9468000000e-02  8.8724800000e-01 -3.5029600000e-01 -7.9960700000e-01 -4.4276600000e-01 -2.8428700000e-01 -2.2585510000e+00 -1.3081390000e+00 -1.0871810000e+00 -2.1379920000e+00 -1.3783690000e+00 -2.0341580000e+00 -3.0852000000e+00 -8.3654000000e-01 -9.8481800000e-01
-ENERGY -1.526608511910e+02
-FORCES -1.0486400000e-02 -3.8949000000e-03 -5.2111000000e-03 -4.2570000000e-04 -2.7656000000e-03  5.5510000000e-04  8.3422000000e-03  5.7354000000e-03  3.8910000000e-03 -1.1683000000e-03  1.1199000000e-03 -3.0937000000e-03 -1.2705000000e-03  1.3854000000e-03  5.0379000000e-03  5.0087000000e-03 -1.5802000000e-03 -1.1792000000e-03
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8042300000e-01 -1.8764000000e-02  9.3985500000e-01  3.0739200000e-01 -8.4800600000e-01 -3.2035700000e-01 -2.5168570000e+00  1.0626380000e+00 -1.0165380000e+00 -2.4782040000e+00  2.0056350000e+00 -8.5686800000e-01 -1.6699010000e+00  7.3338500000e-01 -7.1572400000e-01
-ENERGY -1.526619334538e+02
-FORCES  9.2200000000e-04 -3.5012000000e-03  2.3900000000e-03 -1.2570000000e-04 -3.9630000000e-04 -4.6373000000e-03 -1.1459000000e-03  3.9837000000e-03  2.4989000000e-03  9.2743000000e-03 -8.8050000000e-04  3.6478000000e-03  5.9100000000e-05 -2.8671000000e-03  7.7100000000e-05 -8.9838000000e-03  3.6615000000e-03 -3.9766000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7616100000e-01 -2.8814200000e-01 -2.5602200000e-01  9.5783000000e-02  8.6331700000e-01 -4.0217000000e-01 -2.1658010000e+00 -1.1345410000e+00 -8.3751700000e-01 -2.9251350000e+00 -6.3840300000e-01 -5.3175300000e-01 -2.2706370000e+00 -2.0006740000e+00 -4.4374900000e-01
-ENERGY -1.526571267597e+02
-FORCES -1.7202000000e-02 -9.1953000000e-03 -8.8100000000e-03  5.4064000000e-03  6.7071000000e-03  5.0984000000e-03 -2.8545000000e-03 -2.7008000000e-03  5.4620000000e-04  8.5406000000e-03  1.1805000000e-03  5.4973000000e-03  6.7265000000e-03 -1.5577000000e-03 -5.0750000000e-04 -6.1700000000e-04  5.5662000000e-03 -1.8244000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6666400000e-01  4.6376400000e-01 -5.0666900000e-01  8.3190500000e-01  3.0386900000e-01 -3.6308200000e-01 -2.2226600000e+00  1.3777930000e+00 -8.0939400000e-01 -3.0603540000e+00  9.4304700000e-01 -6.4971400000e-01 -2.3081180000e+00  2.2287460000e+00 -3.7950000000e-01
-ENERGY -1.526608162993e+02
-FORCES -9.2514000000e-03  6.6074000000e-03 -5.2351000000e-03  9.0988000000e-03 -4.9770000000e-03  1.9227000000e-03 -3.6347000000e-03  5.8760000000e-04  6.5480000000e-04  8.0880000000e-04 -1.5097000000e-03  5.5642000000e-03  3.5330000000e-03  3.2855000000e-03 -4.8980000000e-04 -5.5450000000e-04 -3.9939000000e-03 -2.4168000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5037200000e-01  9.4151800000e-01 -8.4638000000e-02 -8.1083500000e-01 -4.0155900000e-01 -3.1229600000e-01  2.3382510000e+00 -1.3811950000e+00 -6.3142600000e-01  1.5618370000e+00 -8.8996400000e-01 -3.6290300000e-01  2.2525400000e+00 -2.2259040000e+00 -1.8943900000e-01
-ENERGY -1.526612863113e+02
-FORCES  2.1540000000e-04  5.9360000000e-04 -3.0620000000e-03 -7.9740000000e-04 -4.8592000000e-03  1.5010000000e-04  3.6848000000e-03  2.5850000000e-03  1.8568000000e-03 -1.0382000000e-02  4.8792000000e-03  4.5665000000e-03  8.1123000000e-03 -5.6541000000e-03 -2.0909000000e-03 -8.3300000000e-04  2.4554000000e-03 -1.4204000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9774500000e-01  3.5665800000e-01 -3.9068000000e-01  4.6835000000e-02  2.5919500000e-01  9.2024800000e-01 -7.7037000000e-02 -2.4091580000e+00 -1.2062720000e+00 -3.7604000000e-02 -1.5140000000e+00 -8.6956800000e-01  5.7312600000e-01 -2.8878270000e+00 -6.9207800000e-01
-ENERGY -1.526581423061e+02
-FORCES  4.5280000000e-04 -4.8976000000e-03  1.3946000000e-03 -4.3126000000e-03 -4.8453000000e-03  2.0835000000e-03  1.3053000000e-03  8.0700000000e-05 -4.9797000000e-03  5.3240000000e-04  1.2404200000e-02  1.0197100000e-02  3.4071000000e-03 -4.4967000000e-03 -7.4963000000e-03 -1.3851000000e-03  1.7548000000e-03 -1.1993000000e-03
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6297100000e-01 -3.8290100000e-01  4.3300600000e-01  8.9886000000e-02  9.4201100000e-01  1.4411200000e-01 -2.3574600000e+00 -8.1769200000e-01  1.1877080000e+00 -2.2948380000e+00 -1.7009970000e+00  8.2427600000e-01 -1.5407570000e+00 -3.9225400000e-01  9.2649700000e-01
-ENERGY -1.526596097908e+02
-FORCES  1.1280000000e-03  4.0990000000e-04  1.8236000000e-03 -4.8450000000e-03  2.1056000000e-03 -1.8917000000e-03 -1.6723000000e-03 -6.0851000000e-03  9.6080000000e-04  1.3006200000e-02  1.4247000000e-03 -9.0476000000e-03 -3.7920000000e-04  1.6806000000e-03  1.7472000000e-03 -7.2378000000e-03  4.6420000000e-04  6.4077000000e-03
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6475600000e-01 -1.3398300000e-01  9.3334700000e-01  4.4985000000e-02 -8.7738300000e-01 -3.8001100000e-01  4.8154800000e-01 -2.6450350000e+00 -7.3760200000e-01  5.2249900000e-01 -2.7195150000e+00 -1.6910210000e+00 -3.5770500000e-01 -3.0403780000e+00 -5.0182700000e-01
-ENERGY -1.526596594857e+02
-FORCES  5.0407000000e-03 -1.4072400000e-02 -8.8140000000e-04 -1.2613000000e-03  4.2570000000e-04 -2.2979000000e-03 -5.4339000000e-03  8.5820000000e-03  6.4750000000e-04 -1.2934000000e-03 -1.2565000000e-03 -2.0124000000e-03 -1.4047000000e-03  1.5379000000e-03  5.6552000000e-03  4.3525000000e-03  4.7834000000e-03 -1.1110000000e-03
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0204200000e-01 -3.0947100000e-01 -4.2093800000e-01 -6.9966500000e-01 -5.0122200000e-01 -4.1890000000e-01  2.0382720000e+00 -1.4786500000e+00 -9.8060500000e-01  2.8419780000e+00 -1.0829770000e+00 -6.4336200000e-01  2.0638930000e+00 -2.3814650000e+00 -6.6358700000e-01
-ENERGY -1.526585661921e+02
-FORCES  1.0129400000e-02 -1.1193100000e-02 -8.4372000000e-03 -2.6929000000e-03  7.8964000000e-03  3.5284000000e-03  1.3727000000e-03  9.1420000000e-04  1.6688000000e-03 -3.9935000000e-03 -6.5710000000e-04  6.2234000000e-03 -6.0212000000e-03 -1.1888000000e-03 -8.2770000000e-04  1.2054000000e-03  4.2283000000e-03 -2.1557000000e-03
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7615000000e-02 -2.7137900000e-01  9.1668900000e-01 -8.2725600000e-01  4.7693500000e-01 -6.6431000000e-02  2.6836300000e-01 -2.6081570000e+00 -1.0678710000e+00  1.7460100000e-01 -1.6643750000e+00 -9.3858300000e-01 -5.5831200000e-01 -2.9764010000e+00 -7.5604100000e-01
-ENERGY -1.526603832772e+02
-FORCES -1.7032000000e-03 -5.5990000000e-04  3.8398000000e-03 -1.5625000000e-03  1.3416000000e-03 -5.1225000000e-03  3.7767000000e-03 -3.5121000000e-03  8.2670000000e-04 -3.7416000000e-03  1.0961500000e-02  3.8726000000e-03  8.5300000000e-04 -9.5756000000e-03 -3.1442000000e-03  2.3776000000e-03  1.3446000000e-03 -2.7240000000e-04
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3877200000e-01 -2.4761500000e-01  3.8907500000e-01  9.4376000000e-02 -2.1182900000e-01 -9.2868400000e-01  2.2957060000e+00 -8.0660700000e-01  1.3287330000e+00  2.2923110000e+00 -7.7545200000e-01  2.2854200000e+00  3.1195230000e+00 -3.8868800000e-01  1.0779310000e+00
-ENERGY -1.526611927938e+02
-FORCES  1.0878300000e-02 -5.1441000000e-03  4.5010000000e-03 -7.9684000000e-03  3.8645000000e-03 -6.0182000000e-03  1.0785000000e-03  6.4800000000e-04  2.8891000000e-03 -9.8520000000e-04  2.4597000000e-03  2.2176000000e-03  1.5267000000e-03  1.5760000000e-04 -4.9276000000e-03 -4.5299000000e-03 -1.9857000000e-03  1.3381000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9951700000e-01 -2.9488100000e-01  4.3594600000e-01  8.4164000000e-02  9.2017800000e-01  2.4984200000e-01 -1.3556100000e-01  1.5148600000e-01 -2.5778640000e+00  2.6354000000e-02  1.9329100000e-01 -1.6353850000e+00  6.0926700000e-01 -3.3734400000e-01 -2.9278760000e+00
-ENERGY -1.526573004441e+02
-FORCES -5.3894000000e-03 -6.1990000000e-04 -1.0385900000e-02  4.7009000000e-03  2.8502000000e-03 -7.9210000000e-04 -1.2235000000e-03 -5.4665000000e-03 -4.8085000000e-03  2.1320000000e-03 -3.8080000000e-03  2.1058100000e-02  1.4082000000e-03  5.8937000000e-03 -7.5885000000e-03 -1.6283000000e-03  1.1506000000e-03  2.5169000000e-03
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6951500000e-01  7.5535000000e-02  9.1536200000e-01  2.6280000000e-03  9.0051600000e-01 -3.2449300000e-01 -2.3616150000e+00 -1.5925460000e+00 -1.1110570000e+00 -1.4851200000e+00 -1.2194370000e+00 -1.0173660000e+00 -2.2699400000e+00 -2.4980400000e+00 -8.1456400000e-01
-ENERGY -1.526609837388e+02
-FORCES -1.2059000000e-03  5.2554000000e-03  4.0731000000e-03  1.8509000000e-03 -1.4570000000e-04 -4.2498000000e-03 -1.9910000000e-04 -4.3243000000e-03  1.7013000000e-03  7.6097000000e-03  8.1480000000e-04  2.6273000000e-03 -7.7998000000e-03 -4.7716000000e-03 -3.7253000000e-03 -2.5580000000e-04  3.1713000000e-03 -4.2660000000e-04
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7398200000e-01 -2.3364300000e-01 -3.1272800000e-01  1.3127700000e-01  8.9828700000e-01 -3.0344600000e-01 -2.2360790000e+00 -1.1469350000e+00 -1.0106770000e+00 -2.6384520000e+00 -1.9892890000e+00 -7.9909400000e-01 -2.5119400000e+00 -9.6826800000e-01 -1.9096820000e+00
-ENERGY -1.526596618070e+02
-FORCES -1.1147300000e-02 -4.5077000000e-03 -4.8638000000e-03  6.8212000000e-03  5.8751000000e-03  2.5862000000e-03 -1.8250000000e-03 -3.1211000000e-03 -4.2420000000e-04  4.6475000000e-03 -9.6540000000e-04  1.1744000000e-03  6.7190000000e-04  3.8906000000e-03 -2.9633000000e-03  8.3170000000e-04 -1.1715000000e-03  4.4907000000e-03
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5848000000e-02 -2.6018500000e-01 -9.1946500000e-01  8.7510700000e-01  3.2549800000e-01  2.1088200000e-01  2.3375010000e+00  9.1048300000e-01  8.5383700000e-01  2.4210650000e+00  8.3339600000e-01  1.8042610000e+00  3.2055810000e+00  6.8754300000e-01  5.1773200000e-01
-ENERGY -1.526594851110e+02
-FORCES  1.5565100000e-02  5.8573000000e-03  3.5187000000e-03  1.7512000000e-03  1.0329000000e-03  2.6052000000e-03 -8.4607000000e-03 -3.2561000000e-03 -2.6777000000e-03 -5.6858000000e-03 -4.8763000000e-03 -5.1080000000e-04  1.0289000000e-03  2.6250000000e-04 -5.3964000000e-03 -4.1986000000e-03  9.7960000000e-04  2.4609000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1671200000e-01 -2.9574200000e-01 -4.0218200000e-01  6.8512100000e-01 -3.0958700000e-01 -5.9245000000e-01  2.1516610000e+00 -9.9979400000e-01 -1.3737460000e+00  2.3977250000e+00 -1.0085000000e+00 -2.2987370000e+00  2.0696330000e+00 -1.9240090000e+00 -1.1385250000e+00
-ENERGY -1.526602524808e+02
-FORCES  9.0460000000e-03 -3.7619000000e-03 -8.6712000000e-03  3.3695000000e-03 -4.4900000000e-05  3.8530000000e-04 -8.7243000000e-03  6.9930000000e-04  6.1320000000e-03 -1.2231000000e-03 -1.1415000000e-03 -4.3600000000e-04 -1.3658000000e-03 -1.3049000000e-03  4.8142000000e-03 -1.1023000000e-03  5.5539000000e-03 -2.2243000000e-03
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2323000000e-02  7.8160000000e-03  9.5573700000e-01 -7.6152800000e-01  5.4319000000e-01 -2.0310600000e-01 -2.0105170000e+00  1.2472710000e+00 -9.4041300000e-01 -2.6787010000e+00  8.0758300000e-01 -4.1464000000e-01 -1.9890170000e+00  2.1422320000e+00 -6.0157100000e-01
-ENERGY -1.526538241936e+02
-FORCES -1.7852500000e-02  1.2176800000e-02 -9.8160000000e-03 -3.6601000000e-03  2.0485000000e-03 -3.5391000000e-03  4.4705000000e-03 -4.1842000000e-03  8.7960000000e-03  7.3942000000e-03 -5.1286000000e-03  4.6787000000e-03  7.9293000000e-03  2.4204000000e-03 -5.3310000000e-04  1.7185000000e-03 -7.3329000000e-03  4.1350000000e-04
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4046700000e-01 -6.1666500000e-01 -3.5462400000e-01  6.0572000000e-02 -1.1025700000e-01  9.4889700000e-01 -1.2783300000e-01  2.6633500000e+00 -9.2817000000e-01 -1.8980400000e-01  1.7851480000e+00 -5.5246700000e-01  6.8202000000e-01  3.0227410000e+00 -5.6594200000e-01
-ENERGY -1.526607721385e+02
-FORCES  2.8818000000e-03 -9.8760000000e-04 -4.5970000000e-04 -2.8803000000e-03  2.3687000000e-03  3.3192000000e-03  6.7760000000e-04  1.0591000000e-03 -5.0902000000e-03  2.7868000000e-03 -1.0966200000e-02  4.6570000000e-03 -1.3162000000e-03  9.7748000000e-03 -1.6686000000e-03 -2.1498000000e-03 -1.2488000000e-03 -7.5770000000e-04
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0590000000e-02  3.5104100000e-01 -8.9044300000e-01 -1.2629500000e-01  7.6513100000e-01  5.6112000000e-01 -2.2506210000e+00 -1.4571730000e+00  1.2422120000e+00 -2.2159210000e+00 -2.2758860000e+00  7.4750300000e-01 -1.5524280000e+00 -9.2040000000e-01  8.6720100000e-01
-ENERGY -1.526606079157e+02
-FORCES  8.9920000000e-04  4.7411000000e-03 -2.8990000000e-03  4.4370000000e-04 -1.2845000000e-03  4.6084000000e-03 -1.5832000000e-03 -5.5835000000e-03 -2.9009000000e-03  8.4548000000e-03  9.8790000000e-04 -6.6870000000e-03 -7.9800000000e-04  2.2020000000e-03  1.4232000000e-03 -7.4166000000e-03 -1.0629000000e-03  6.4552000000e-03
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3298700000e-01 -3.9927200000e-01  4.6855500000e-01  7.7968000000e-01 -3.6703600000e-01  4.1667100000e-01  2.4102090000e+00 -5.5911500000e-01  1.1905160000e+00  2.5393850000e+00 -4.9060300000e-01  2.1364810000e+00  3.1373000000e+00 -6.4421000000e-02  8.1256200000e-01
-ENERGY -1.526606982355e+02
-FORCES  1.0328000000e-02 -4.0886000000e-03  6.7223000000e-03  3.1793000000e-03  9.2170000000e-04 -1.4820000000e-04 -9.0336000000e-03  1.1858000000e-03 -4.6825000000e-03 -1.7032000000e-03  4.7492000000e-03 -4.7870000000e-04  1.3630000000e-04 -1.7580000000e-04 -4.6076000000e-03 -2.9067000000e-03 -2.5923000000e-03  3.1947000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1725600000e-01 -5.3030300000e-01 -3.4720900000e-01  7.6817700000e-01 -2.7989100000e-01 -4.9779100000e-01  2.2447020000e+00 -6.2914900000e-01 -1.0736320000e+00  2.4228470000e+00 -7.6857700000e-01 -2.0037160000e+00  3.0557940000e+00 -2.5736000000e-01 -7.2702900000e-01
-ENERGY -1.526574963453e+02
-FORCES  1.7509400000e-02 -5.8835000000e-03 -8.5887000000e-03  3.7128000000e-03  7.0630000000e-04 -9.6000000000e-04 -7.3840000000e-03  1.0213000000e-03  2.2685000000e-03 -1.0487500000e-02  5.8196000000e-03  6.1315000000e-03 -3.0170000000e-04  8.6390000000e-04  5.1172000000e-03 -3.0489000000e-03 -2.5276000000e-03 -3.9685000000e-03
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2573600000e-01  3.0182200000e-01 -3.7854400000e-01  2.1242300000e-01 -7.9440500000e-01 -4.8992700000e-01  2.1036630000e+00  1.3940920000e+00 -7.2454300000e-01  2.1788600000e+00  2.2858730000e+00 -3.8497700000e-01  1.2672070000e+00  1.0772440000e+00 -3.8369000000e-01
-ENERGY -1.526594419977e+02
-FORCES  6.0262000000e-03  9.7010000000e-04 -5.8240000000e-03  5.4695000000e-03 -8.0860000000e-04  1.4021000000e-03 -2.1831000000e-03  5.0465000000e-03  2.3320000000e-03 -1.4273000000e-02 -8.3777000000e-03  6.7697000000e-03 -2.8739000000e-03 -3.0453000000e-03 -2.2920000000e-04  7.8343000000e-03  6.2150000000e-03 -4.4506000000e-03
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6629800000e-01  4.4751400000e-01 -3.5881800000e-01 -2.7760000000e-03 -8.5811500000e-01 -4.2410200000e-01 -4.1982400000e-01 -2.2532190000e+00 -1.3524030000e+00 -6.6100000000e-01 -2.2191610000e+00 -2.2780950000e+00 -1.1761670000e+00 -2.6517220000e+00 -9.2185500000e-01
-ENERGY -1.526583615907e+02
-FORCES -4.1463000000e-03 -1.4261500000e-02 -1.1494200000e-02  1.4411000000e-03 -1.1965000000e-03  7.9790000000e-04  8.1740000000e-04  5.5133000000e-03  6.5415000000e-03 -1.3953000000e-03  7.0210000000e-03  1.7982000000e-03 -4.0390000000e-04 -5.9720000000e-04  5.2422000000e-03  3.6869000000e-03  3.5209000000e-03 -2.8856000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5190200000e-01  1.1021500000e-01 -9.1685900000e-01 -7.7443000000e-01 -3.7644600000e-01  4.1806500000e-01  7.9972000000e-02  2.6954670000e+00  8.5946500000e-01  1.1626200000e-01  1.8340780000e+00  4.4362400000e-01  9.2362800000e-01  3.0975600000e+00  6.5259100000e-01
-ENERGY -1.526608664679e+02
-FORCES -4.6239000000e-03 -2.1052000000e-03  4.2410000000e-04  1.5445000000e-03  1.9421000000e-03  5.8966000000e-03  3.9161000000e-03  2.0465000000e-03 -3.1691000000e-03  2.8715000000e-03 -1.1086800000e-02 -2.9697000000e-03 -1.1527000000e-03  1.1312700000e-02  6.7300000000e-05 -2.5555000000e-03 -2.1093000000e-03 -2.4920000000e-04
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1111300000e-01  1.7543100000e-01 -8.8806800000e-01  2.3141500000e-01 -9.1510000000e-01  1.5896800000e-01  2.2757600000e-01 -2.7113340000e+00  7.9142100000e-01  3.2003200000e-01 -2.8723520000e+00  1.7304400000e+00  9.8441400000e-01 -3.1455090000e+00  3.9782000000e-01
-ENERGY -1.526604498535e+02
-FORCES  6.5680000000e-04 -1.0644000000e-02  1.2411000000e-03 -3.3270000000e-04 -2.1096000000e-03  2.8716000000e-03  1.6384000000e-03  1.0219800000e-02 -4.4675000000e-03  1.4172000000e-03 -1.2990000000e-03  3.9048000000e-03  2.5630000000e-04 -1.7300000000e-04 -5.1498000000e-03 -3.6360000000e-03  4.0058000000e-03  1.5997000000e-03
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1966900000e-01  3.3533100000e-01 -3.6321900000e-01  6.8246600000e-01  5.0790000000e-01 -4.3875900000e-01  2.5765600000e-01 -2.4514850000e+00 -1.0931230000e+00  1.3166600000e-01 -1.9818610000e+00 -1.9176300000e+00  3.4720300000e-01 -1.7618460000e+00 -4.3539100000e-01
-ENERGY -1.526570937862e+02
-FORCES -2.0028000000e-03 -3.5070000000e-03 -5.8744000000e-03  5.0554000000e-03 -9.5720000000e-04  6.9800000000e-04 -3.9665000000e-03 -4.2023000000e-03  8.2690000000e-04 -2.3711000000e-03  1.6940400000e-02  5.4149000000e-03  1.7250000000e-04 -1.1939000000e-03  9.6350000000e-04  3.1124000000e-03 -7.0800000000e-03 -2.0289000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1357200000e-01  8.6832000000e-02  9.0020200000e-01 -1.4479400000e-01 -9.3927500000e-01 -1.1414500000e-01 -2.0208310000e+00  3.8703670000e+00  2.3037700000e-01 -2.8534850000e+00  4.2508540000e+00 -4.9173000000e-02 -1.3563380000e+00  4.4645160000e+00 -1.1843400000e-01
-ENERGY -1.526534144754e+02
-FORCES  3.8000000000e-05 -2.8634000000e-03  3.6615000000e-03 -7.5570000000e-04 -7.5620000000e-04 -3.7625000000e-03  6.0710000000e-04  3.7766000000e-03  3.2950000000e-04 -4.0080000000e-04  3.3887000000e-03 -3.2228000000e-03  3.3066000000e-03 -1.4783000000e-03  1.2678000000e-03 -2.7951000000e-03 -2.0673000000e-03  1.7265000000e-03
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0059300000e-01 -6.9927000000e-02  9.4932800000e-01  7.8175200000e-01  4.6998100000e-01 -2.9019600000e-01  2.5219400000e-01  1.0020400000e-01  2.5805880000e+00  4.2423300000e-01 -7.0203600000e-01  3.0735860000e+00 -5.5949900000e-01  4.4256100000e-01  2.9549910000e+00
-ENERGY -1.526587998626e+02
-FORCES  4.3607000000e-03  1.7764000000e-03  2.1056300000e-02 -2.1253000000e-03 -1.1321000000e-03 -8.4365000000e-03 -1.6493000000e-03 -1.2041000000e-03  1.5757000000e-03 -3.3362000000e-03 -7.8840000000e-04 -9.2876000000e-03 -1.9272000000e-03  4.5442000000e-03 -3.0893000000e-03  4.6774000000e-03 -3.1960000000e-03 -1.8185000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7054000000e-02  5.3556000000e-02  9.5498200000e-01 -9.8290000000e-03 -9.3860000000e-01 -1.8752600000e-01 -1.9840090000e+00  1.6940130000e+00 -1.0607810000e+00 -2.7792940000e+00  1.2077400000e+00 -8.4331400000e-01 -1.2692050000e+00  1.1014710000e+00 -8.2801400000e-01
-ENERGY -1.526609155367e+02
-FORCES -1.2605000000e-03 -9.1450000000e-04  2.7320000000e-03 -2.9090000000e-04 -1.6665000000e-03 -4.8802000000e-03 -7.2430000000e-04  4.7497000000e-03  1.7565000000e-03  7.0427000000e-03 -9.0930000000e-03  4.9469000000e-03  2.3848000000e-03  1.0246000000e-03 -3.5030000000e-04 -7.1518000000e-03  5.8997000000e-03 -4.2049000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2628000000e-01 -5.5341600000e-01  2.8719300000e-01  8.5596000000e-02  7.9806600000e-01  5.2153200000e-01  4.7631600000e-01  2.4216800000e+00  1.3874660000e+00 -2.0719900000e-01  2.8886030000e+00  9.0681900000e-01  1.2950460000e+00  2.7220110000e+00  9.9285800000e-01
-ENERGY -1.526604460912e+02
-FORCES  4.3008000000e-03  8.5279000000e-03  9.2056000000e-03 -1.5700000000e-03  2.0359000000e-03 -1.1239000000e-03 -3.5987000000e-03 -6.4794000000e-03 -7.7720000000e-03  1.3890000000e-03  3.4305000000e-03 -3.6891000000e-03  4.0602000000e-03 -5.1881000000e-03  1.6006000000e-03 -4.5812000000e-03 -2.3268000000e-03  1.7788000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3620300000e-01 -4.1212000000e-02  9.4656300000e-01 -4.0756000000e-01  8.2442200000e-01 -2.6543500000e-01  2.3134530000e+00 -1.3479890000e+00 -1.2735730000e+00  1.6024830000e+00 -9.4103500000e-01 -7.7845500000e-01  2.1483480000e+00 -2.2881140000e+00 -1.2018980000e+00
-ENERGY -1.526615859398e+02
-FORCES -2.1185000000e-03  4.1492000000e-03  1.2704000000e-03  4.4860000000e-04  3.2070000000e-04 -4.6573000000e-03  1.0234000000e-03 -3.6898000000e-03  2.6780000000e-03 -7.9576000000e-03  1.5599000000e-03  3.6436000000e-03  8.2012000000e-03 -5.2609000000e-03 -3.2084000000e-03  4.0290000000e-04  2.9209000000e-03  2.7370000000e-04
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6148000000e-01  4.7169000000e-01 -3.3747400000e-01  1.3213000000e-02 -8.1946800000e-01 -4.9449900000e-01  1.0940500000e-01 -1.9886000000e-02  2.7252860000e+00  9.7724000000e-02 -9.8241000000e-02  1.7713700000e+00  2.3073700000e-01 -9.1630500000e-01  3.0382450000e+00
-ENERGY -1.526603977412e+02
-FORCES -2.9346000000e-03 -3.1940000000e-04  2.1936000000e-03  4.0479000000e-03 -3.4540000000e-03  9.8590000000e-04 -8.0430000000e-04  4.1212000000e-03  2.9605000000e-03  1.7000000000e-04 -1.6644000000e-03 -1.4273200000e-02 -1.2000000000e-04 -7.5210000000e-04  1.0602800000e-02 -3.5900000000e-04  2.0686000000e-03 -2.4697000000e-03
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6068000000e-02 -1.2259500000e-01 -9.4863100000e-01 -8.3178500000e-01 -3.5012400000e-01  3.1902800000e-01  6.4107000000e-02  1.0458000000e-02 -2.7889940000e+00  9.7374000000e-01 -1.0578200000e-01 -3.0633780000e+00 -1.7477500000e-01  8.7933800000e-01 -3.1118180000e+00
-ENERGY -1.526618750953e+02
-FORCES -1.9519000000e-03 -1.5437000000e-03 -1.2280700000e-02  4.8560000000e-04 -3.1280000000e-04  1.1159500000e-02  2.1012000000e-03  1.2592000000e-03 -2.0631000000e-03  2.5211000000e-03  3.9192000000e-03  4.0550000000e-04 -4.8864000000e-03  1.2836000000e-03  1.6616000000e-03  1.7304000000e-03 -4.6056000000e-03  1.1172000000e-03
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.8134000000e-02  8.4149000000e-01  4.4552900000e-01  8.4941600000e-01 -4.2829600000e-01  1.0624300000e-01  2.1621340000e+00 -1.3029450000e+00  1.2223600000e+00  3.0287340000e+00 -9.1057700000e-01  1.1161380000e+00  2.2977490000e+00 -2.2346440000e+00  1.0497980000e+00
-ENERGY -1.526592308109e+02
-FORCES  1.0001300000e-02 -3.7696000000e-03  7.9161000000e-03 -6.5800000000e-05 -1.9599000000e-03 -1.7063000000e-03 -5.4947000000e-03  4.2956000000e-03 -6.4362000000e-03  1.1781000000e-03 -2.5184000000e-03  2.7890000000e-04 -5.4799000000e-03 -1.4070000000e-03 -3.8900000000e-04 -1.3910000000e-04  5.3594000000e-03  3.3650000000e-04
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3818100000e-01  6.2118800000e-01  4.9063100000e-01 -8.7727600000e-01  9.7861000000e-02  3.7019200000e-01  4.2684000000e-02  1.1651000000e-02 -2.4973380000e+00 -4.7110000000e-03 -2.4254000000e-02 -1.5419870000e+00 -7.8187800000e-01  4.1851600000e-01 -2.7634050000e+00
-ENERGY -1.526538667045e+02
-FORCES  7.7750000000e-04  3.0955000000e-03 -2.0271000000e-02 -4.6855000000e-03 -3.3224000000e-03 -1.4662000000e-03  5.1200000000e-03  1.0185000000e-03 -3.0915000000e-03 -6.7380000000e-04  6.1950000000e-04  2.7897000000e-02 -1.8696000000e-03 -3.3580000000e-04 -6.4695000000e-03  1.3315000000e-03 -1.0752000000e-03  3.4012000000e-03
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0021600000e-01  3.0817000000e-02  9.5144000000e-01  7.2025200000e-01  6.0266800000e-01 -1.8509500000e-01 -2.0984290000e+00  1.2862460000e+00 -9.5691600000e-01 -2.7653950000e+00  6.4238000000e-01 -7.1853300000e-01 -1.2903910000e+00  9.4926800000e-01 -5.6993700000e-01
-ENERGY -1.526572379866e+02
-FORCES -3.7300000000e-03  4.1303000000e-03 -7.2140000000e-04 -1.0496000000e-03  1.1580000000e-03 -6.3859000000e-03 -6.9920000000e-03 -1.8870000000e-03  1.1421000000e-03  1.4639900000e-02 -1.3546200000e-02  6.9115000000e-03  1.7129000000e-03  1.7104000000e-03  3.4830000000e-04 -4.5814000000e-03  8.4345000000e-03 -1.2946000000e-03
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6682000000e-02 -1.5171200000e-01  9.4339900000e-01 -1.2294500000e-01  9.4554300000e-01 -8.4054000000e-02  2.2152080000e+00 -1.1458520000e+00 -1.0462230000e+00  2.1849040000e+00 -2.0236210000e+00 -6.6565300000e-01  1.4064170000e+00 -7.2798900000e-01 -7.5045200000e-01
-ENERGY -1.526599669757e+02
-FORCES  5.3458000000e-03  8.0880000000e-04  6.3930000000e-04  1.0470000000e-04  7.0940000000e-04 -5.3101000000e-03  7.2990000000e-04 -5.0595000000e-03  1.4870000000e-03 -1.4279200000e-02  4.9665000000e-03  5.8205000000e-03 -6.2970000000e-04  2.9521000000e-03  1.8820000000e-04  8.7284000000e-03 -4.3773000000e-03 -2.8249000000e-03
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1109400000e-01 -4.4450700000e-01 -2.4651800000e-01  6.9195400000e-01 -5.1721400000e-01 -4.1221600000e-01 -2.5251300000e-01  2.9430700000e-01  2.8184720000e+00 -1.4028700000e-01  3.0039000000e-02  1.9053460000e+00 -1.5224800000e-01  1.2461710000e+00  2.8068870000e+00
-ENERGY -1.526613676043e+02
-FORCES -4.5100000000e-05 -2.4978000000e-03 -2.4052000000e-03  4.9731000000e-03  1.8246000000e-03  2.5870000000e-03 -4.1915000000e-03  2.2627000000e-03  2.0388000000e-03  2.5105000000e-03  2.2472000000e-03 -1.2433500000e-02 -2.8255000000e-03 -1.3389000000e-03  9.4346000000e-03 -4.2160000000e-04 -2.4978000000e-03  7.7840000000e-04
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9911000000e-01 -5.0988700000e-01 -1.3293300000e-01  7.0582300000e-01 -5.8251300000e-01 -2.8057900000e-01 -2.1307970000e+00 -1.3541020000e+00 -3.9674600000e-01 -2.3887400000e+00 -1.4905900000e+00 -1.3083760000e+00 -2.9113130000e+00 -9.9088400000e-01  2.1701000000e-02
-ENERGY -1.526572219138e+02
-FORCES -1.8845500000e-02 -1.4213400000e-02 -3.5042000000e-03  6.2013000000e-03  4.8804000000e-03  1.6366000000e-03 -3.0924000000e-03  5.1240000000e-04 -4.2760000000e-04  1.0711200000e-02  9.7365000000e-03  5.6160000000e-04  7.0500000000e-04  8.1260000000e-04  5.3903000000e-03  4.3204000000e-03 -1.7285000000e-03 -3.6567000000e-03
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3828900000e-01 -8.9445300000e-01  2.4372800000e-01 -7.8254400000e-01  1.8940600000e-01  5.1767000000e-01  1.4075900000e-01 -2.4734500000e+00  1.3944690000e+00  9.7697700000e-01 -2.8441540000e+00  1.1124250000e+00  1.7822300000e-01 -2.4967590000e+00  2.3506510000e+00
-ENERGY -1.526587675113e+02
-FORCES -3.3890000000e-03 -1.0604300000e-02  8.3905000000e-03  3.8665000000e-03  4.3653000000e-03 -6.3512000000e-03  1.8717000000e-03  1.3675000000e-03 -1.5439000000e-03  2.2008000000e-03  1.1821000000e-03  3.7417000000e-03 -4.4518000000e-03  4.4625000000e-03  4.1510000000e-04 -9.8300000000e-05 -7.7300000000e-04 -4.6521000000e-03
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5128900000e-01 -5.2341400000e-01  2.7898700000e-01  6.8959000000e-02  8.0849800000e-01  5.0774800000e-01  1.9027500000e-01  2.5301820000e+00  7.4021400000e-01 -5.4189600000e-01  2.9168590000e+00  2.5996400000e-01  9.4380700000e-01  3.0719850000e+00  5.0596900000e-01
-ENERGY -1.526588834153e+02
-FORCES  3.3576000000e-03  1.5275400000e-02  6.0698000000e-03 -1.2762000000e-03  3.1568000000e-03 -4.0230000000e-04 -3.0644000000e-03 -8.7038000000e-03 -1.7615000000e-03  7.9140000000e-04 -6.6101000000e-03 -7.4275000000e-03  4.4295000000e-03 -1.6993000000e-03  2.5601000000e-03 -4.2378000000e-03 -1.4191000000e-03  9.6140000000e-04
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3685000000e-02  2.6273500000e-01 -9.1886900000e-01 -8.9629300000e-01 -2.4188500000e-01  2.3320200000e-01  2.4061600000e+00 -1.4843020000e+00  7.3391300000e-01  1.6711970000e+00 -9.0113800000e-01  5.4422500000e-01  3.1815410000e+00 -9.8329100000e-01  4.8092400000e-01
-ENERGY -1.526614923193e+02
-FORCES -3.7865000000e-03 -1.6326000000e-03 -2.0458000000e-03 -4.3300000000e-05 -1.0755000000e-03  4.4904000000e-03  3.5615000000e-03  1.9221000000e-03 -2.2982000000e-03 -6.1012000000e-03  6.4703000000e-03 -2.2343000000e-03  9.3174000000e-03 -4.5457000000e-03  2.0130000000e-03 -2.9479000000e-03 -1.1385000000e-03  7.4900000000e-05
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1938000000e-01 -3.0083900000e-01  3.9286700000e-01  9.5929000000e-02  9.0189000000e-01  3.0598100000e-01  2.3139360000e+00  3.7844560000e+00 -2.5245400000e-01  3.2068110000e+00  3.5636390000e+00  1.2585000000e-02  2.1445290000e+00  4.6324250000e+00  1.5801200000e-01
-ENERGY -1.526552692320e+02
-FORCES -2.4351000000e-03  3.3343000000e-03  2.3522000000e-03  3.2222000000e-03  1.1679000000e-03 -1.4957000000e-03 -1.3227000000e-03 -4.8920000000e-03 -5.3850000000e-04  3.9268000000e-03  2.9526000000e-03  2.1313000000e-03 -3.8799000000e-03  1.1536000000e-03 -8.9870000000e-04  4.8870000000e-04 -3.7163000000e-03 -1.5507000000e-03
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3030000000e-03 -6.4522000000e-02  9.5500200000e-01 -8.4050500000e-01  4.0837300000e-01 -2.0740200000e-01 -1.2631500000e-01  3.9066800000e-01  2.8134970000e+00 -5.0296000000e-02 -5.0661200000e-01  3.1380600000e+00 -9.9155900000e-01  6.7862600000e-01  3.1044710000e+00
-ENERGY -1.526588556975e+02
-FORCES -2.7916000000e-03  4.5737000000e-03  1.2143700000e-02  6.9300000000e-04 -5.8545000000e-03 -8.1438000000e-03  2.0355000000e-03 -1.2646000000e-03  4.9020000000e-04 -3.3536000000e-03 -1.2830000000e-04  2.2582000000e-03 -8.7780000000e-04  4.7220000000e-03 -4.8445000000e-03  4.2945000000e-03 -2.0483000000e-03 -1.9037000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5182000000e-02 -1.0147500000e-01  9.5168500000e-01  6.2639400000e-01 -6.5797700000e-01 -3.0154300000e-01 -2.3543100000e-01  2.4707910000e+00 -9.2754700000e-01 -2.3527400000e-01  1.5928440000e+00 -5.4618100000e-01  5.0124000000e-01  2.9149490000e+00 -5.0770000000e-01
-ENERGY -1.526587773823e+02
-FORCES  1.9226000000e-03  6.3701000000e-03 -3.6613000000e-03  1.3382000000e-03  9.5020000000e-04 -5.3187000000e-03 -3.0110000000e-03  2.3918000000e-03  3.7231000000e-03  3.7187000000e-03 -1.5995700000e-02  6.4498000000e-03 -2.2205000000e-03  8.1446000000e-03 -7.3000000000e-04 -1.7479000000e-03 -1.8610000000e-03 -4.6290000000e-04
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7844200000e-01 -9.3643600000e-01  8.6473000000e-02  7.8117200000e-01  1.4573000000e-01  5.3363300000e-01 -1.7351400000e-01 -2.2722300000e-01 -2.7107140000e+00 -2.6879100000e-01 -1.1642580000e+00 -2.8813590000e+00 -6.8790000000e-03 -1.7035700000e-01 -1.7698470000e+00
-ENERGY -1.526576334136e+02
-FORCES  2.0521000000e-03 -1.4163000000e-03 -6.4170000000e-04  2.3381000000e-03  5.3450000000e-03 -4.8670000000e-03 -4.5318000000e-03 -1.7869000000e-03 -2.5334000000e-03  1.5312000000e-03  1.5141000000e-03  1.3673200000e-02  3.1030000000e-04  2.6085000000e-03  3.0835000000e-03 -1.7000000000e-03 -6.2645000000e-03 -8.7147000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1214100000e-01  2.2039200000e-01  9.2470700000e-01  7.5430600000e-01  3.9783900000e-01 -4.3471600000e-01  7.5009000000e-02 -2.5345130000e+00 -1.1392500000e+00 -7.9890300000e-01 -2.9247150000e+00 -1.1233670000e+00 -2.8878000000e-02 -1.6949090000e+00 -6.9147200000e-01
-ENERGY -1.526617013336e+02
-FORCES  3.4500000000e-03 -5.0890000000e-04  9.7340000000e-04 -5.3300000000e-05 -2.3690000000e-04 -4.8710000000e-03 -3.9226000000e-03 -2.7582000000e-03  3.1087000000e-03 -3.4340000000e-03  1.0664000000e-02  5.8438000000e-03  2.3039000000e-03  1.7048000000e-03  7.1130000000e-04  1.6560000000e-03 -8.8648000000e-03 -5.7663000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3480400000e-01 -5.9065300000e-01  4.0544400000e-01 -1.1187100000e-01  8.2878800000e-01  4.6564700000e-01  1.7064000000e-02 -5.3385000000e-02 -2.8409160000e+00 -8.2966000000e-02 -8.0111000000e-02 -1.8893320000e+00  1.7789000000e-01  8.6907300000e-01 -3.0395060000e+00
-ENERGY -1.526607283762e+02
-FORCES -2.0717000000e-03  1.3249000000e-03  1.8955000000e-03  3.0337000000e-03  3.7145000000e-03 -2.4813000000e-03  1.3170000000e-04 -4.3475000000e-03 -2.1493000000e-03  1.0730000000e-03  3.0042000000e-03  1.1931100000e-02 -1.5907000000e-03 -1.3980000000e-03 -1.0027600000e-02 -5.7600000000e-04 -2.2981000000e-03  8.3170000000e-04
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5261600000e-01 -4.0335900000e-01 -4.3255400000e-01  7.6079600000e-01 -4.2217300000e-01 -3.9898800000e-01  1.8249270000e+00 -1.6003570000e+00 -1.2504210000e+00  1.9724300000e+00 -1.7756700000e+00 -2.1797980000e+00  1.8365610000e+00 -2.4642820000e+00 -8.3843700000e-01
-ENERGY -1.526599410455e+02
-FORCES  7.8588000000e-03 -9.2580000000e-03 -9.1011000000e-03  1.3823000000e-03  9.7390000000e-04  1.3300000000e-03 -4.3477000000e-03  4.4325000000e-03  5.5337000000e-03 -3.6070000000e-03  6.3620000000e-04  6.7790000000e-04 -9.2620000000e-04 -9.0280000000e-04  4.8366000000e-03 -3.6030000000e-04  4.1181000000e-03 -3.2771000000e-03
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5361100000e-01 -8.0742400000e-01  4.9061400000e-01  6.9774800000e-01  5.9021300000e-01  2.8465400000e-01  3.2601900000e-01 -2.2871640000e+00  1.4061200000e+00  1.1180960000e+00 -2.8187810000e+00  1.3272000000e+00  1.6233000000e-01 -2.2387650000e+00  2.3479780000e+00
-ENERGY -1.526602402204e+02
-FORCES  3.4377000000e-03 -1.2230100000e-02  8.5274000000e-03 -9.7070000000e-04  8.7134000000e-03 -4.7977000000e-03 -1.5596000000e-03 -2.5186000000e-03  6.2000000000e-06  8.0010000000e-04  3.4367000000e-03 -5.7000000000e-04 -3.9333000000e-03  3.1541000000e-03  1.7186000000e-03  2.2257000000e-03 -5.5560000000e-04 -4.8844000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0419200000e-01 -9.0123800000e-01  3.0519800000e-01  7.7713600000e-01  4.5473200000e-01  3.2482400000e-01  2.0827260000e+00  1.2870990000e+00  7.4073800000e-01  2.8096500000e+00  7.8329000000e-01  3.7469200000e-01  2.0663250000e+00  2.0936830000e+00  2.2558200000e-01
-ENERGY -1.526564548410e+02
-FORCES  1.9540100000e-02  1.1758200000e-02  9.4801000000e-03  2.3832000000e-03  3.0143000000e-03 -4.9290000000e-04 -6.3009000000e-03 -5.1674000000e-03 -5.3426000000e-03 -9.8133000000e-03 -5.6794000000e-03 -7.4221000000e-03 -5.8258000000e-03  1.9782000000e-03  1.4690000000e-03  1.6700000000e-05 -5.9039000000e-03  2.3085000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8932000000e-02 -1.8106800000e-01 -9.3738700000e-01 -6.7610600000e-01 -5.4664100000e-01  4.0036900000e-01  2.4679620000e+00 -1.0031500000e+00  6.1474600000e-01  1.7236210000e+00 -5.0461600000e-01  2.7762200000e-01  3.2309790000e+00 -6.1312600000e-01  1.8822900000e-01
-ENERGY -1.526600080182e+02
-FORCES -5.9240000000e-04 -5.8459000000e-03  1.6114000000e-03  2.6984000000e-03  3.8520000000e-04  5.4667000000e-03  2.4775000000e-03  3.1351000000e-03 -3.3648000000e-03 -1.0991100000e-02  6.5948000000e-03 -2.1212000000e-03  1.0613000000e-02 -4.0260000000e-03 -1.5538000000e-03 -4.2054000000e-03 -2.4330000000e-04 -3.8400000000e-05
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3851000000e-02  9.5302000000e-02 -9.4874600000e-01 -8.3991000000e-01  3.0108100000e-01  3.4660200000e-01 -2.3402540000e+00  1.1144780000e+00  6.9501600000e-01 -3.1911910000e+00  8.4241600000e-01  3.5132800000e-01 -2.1376750000e+00  1.9219690000e+00  2.2262700000e-01
-ENERGY -1.526584718569e+02
-FORCES -1.6045000000e-02  5.0010000000e-03  2.8435000000e-03 -5.2810000000e-04  8.2200000000e-04  2.6174000000e-03  9.1464000000e-03 -3.6410000000e-04 -3.2227000000e-03  2.9377000000e-03 -1.5820000000e-03 -4.0630000000e-03  4.7253000000e-03  2.5845000000e-03  7.3470000000e-04 -2.3630000000e-04 -6.4613000000e-03  1.0902000000e-03
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2310000000e-01  2.8830900000e-01 -8.8506300000e-01  8.1918200000e-01  4.5272600000e-01  2.0052900000e-01  1.8489940000e+00  3.6737700000e+00 -2.3376800000e-01  1.8156570000e+00  3.5966710000e+00 -1.1872750000e+00  1.7811110000e+00  2.7728370000e+00  8.2370000000e-02
-ENERGY -1.526518122303e+02
-FORCES  1.5826000000e-03  2.1087000000e-03 -2.8291000000e-03  1.5426000000e-03 -1.0362000000e-03  3.9606000000e-03 -2.8808000000e-03 -2.2200000000e-05 -1.1620000000e-03 -3.2550000000e-04 -2.9838000000e-03 -2.5038000000e-03 -4.5100000000e-05 -1.6560000000e-04  4.2908000000e-03  1.2630000000e-04  2.0989000000e-03 -1.7564000000e-03
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7814000000e-02  1.7180300000e-01 -9.3755200000e-01 -3.4690000000e-03 -9.5464900000e-01  6.9756000000e-02  5.2214000000e-01 -1.3544000000e-02 -2.7442650000e+00 -2.9100600000e-01  4.0806500000e-01 -3.0222450000e+00  1.2148770000e+00  5.3574000000e-01 -3.1111900000e+00
-ENERGY -1.526596636820e+02
-FORCES  4.3881000000e-03 -3.9161000000e-03 -1.3219200000e-02 -5.9006000000e-03  3.1405000000e-03  7.1065000000e-03 -4.3350000000e-04  2.5716000000e-03  5.8610000000e-04  1.5258000000e-03  2.4356000000e-03 -1.0711000000e-03  4.8369000000e-03 -1.7184000000e-03  5.0756000000e-03 -4.4166000000e-03 -2.5131000000e-03  1.5221000000e-03
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9788000000e-02 -2.1126200000e-01 -9.3338600000e-01  7.4892700000e-01 -4.8899700000e-01  3.4091200000e-01 -2.2444110000e+00 -8.9820100000e-01  1.1383050000e+00 -2.9602290000e+00 -4.3808900000e-01  6.9997300000e-01 -1.4506290000e+00 -5.4654900000e-01  7.3521300000e-01
-ENERGY -1.526597917657e+02
-FORCES -3.2307000000e-03 -5.2469000000e-03  1.3019000000e-03 -3.9440000000e-04  7.3560000000e-04  5.4920000000e-03 -4.6163000000e-03  2.1950000000e-03 -2.6457000000e-03  1.3770500000e-02  8.1860000000e-03 -7.7293000000e-03  3.0065000000e-03 -1.0269000000e-03 -1.5680000000e-04 -8.5356000000e-03 -4.8428000000e-03  3.7379000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0424700000e-01 -5.6890000000e-02  9.4980400000e-01  8.0153500000e-01  5.0846800000e-01 -1.2342700000e-01  2.4134290000e+00  1.1952740000e+00 -5.3460100000e-01  2.5550100000e+00  1.2689220000e+00 -1.4784030000e+00  3.2589440000e+00  9.1219300000e-01 -1.8646000000e-01
-ENERGY -1.526608094456e+02
-FORCES  1.2099800000e-02  6.2987000000e-03  1.0100000000e-05  1.4759000000e-03  2.4860000000e-04 -2.5250000000e-03 -9.3791000000e-03 -3.3384000000e-03  8.5270000000e-04 -9.2280000000e-04 -4.4836000000e-03 -9.2190000000e-04  1.1810000000e-04 -6.6950000000e-04  5.1597000000e-03 -3.3919000000e-03  1.9443000000e-03 -2.5755000000e-03
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1786000000e-02  1.7508800000e-01 -9.3902000000e-01  7.2257600000e-01  5.5150900000e-01  2.9992300000e-01  2.0199800000e+00  1.3267830000e+00  1.1961570000e+00  2.0991430000e+00  1.4290210000e+00  2.1445830000e+00  2.6507630000e+00  6.4157800000e-01  9.7516200000e-01
-ENERGY -1.526595485012e+02
-FORCES  8.8689000000e-03  9.4810000000e-03  5.8966000000e-03  2.2061000000e-03  2.7980000000e-04  3.2999000000e-03 -3.0746000000e-03 -7.7265000000e-03 -7.1978000000e-03 -3.7073000000e-03 -4.3707000000e-03  2.6948000000e-03  1.5711000000e-03 -8.9050000000e-04 -4.7564000000e-03 -5.8642000000e-03  3.2269000000e-03  6.2900000000e-05
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5936400000e-01 -3.7599000000e-02  9.4309100000e-01 -1.8777600000e-01 -9.0526200000e-01 -2.4793700000e-01 -1.9944600000e-01 -1.4257200000e-01  2.5730430000e+00 -8.9033000000e-01  4.7963100000e-01  2.8005830000e+00 -4.6427800000e-01 -9.6004900000e-01  2.9947390000e+00
-ENERGY -1.526567525580e+02
-FORCES -1.5858000000e-03 -4.2480000000e-03  2.1392100000e-02  1.1029000000e-03  2.3155000000e-03 -7.2014000000e-03  2.4660000000e-04  1.8511000000e-03  1.5120000000e-03 -3.4176000000e-03 -8.8100000000e-05 -1.3255500000e-02  3.5100000000e-03 -4.2455000000e-03 -2.1550000000e-04  1.4400000000e-04  4.4150000000e-03 -2.2317000000e-03
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8761100000e-01 -5.2346100000e-01 -4.1159700000e-01  8.1702700000e-01 -3.9308200000e-01 -3.0689700000e-01  2.2380960000e+00 -1.4322430000e+00 -8.6452000000e-01  2.1364910000e+00 -1.5137920000e+00 -1.8128120000e+00  2.2190550000e+00 -2.3335320000e+00 -5.4273100000e-01
-ENERGY -1.526601417556e+02
-FORCES  9.8176000000e-03 -8.2879000000e-03 -4.7228000000e-03  2.4086000000e-03  9.8310000000e-04  7.3810000000e-04 -8.8195000000e-03  5.6500000000e-03  1.5074000000e-03 -1.7616000000e-03 -3.1445000000e-03 -3.7090000000e-04 -1.2697000000e-03  3.0680000000e-04  5.7098000000e-03 -3.7540000000e-04  4.4926000000e-03 -2.8616000000e-03
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2102200000e-01 -1.1847000000e-02  9.4944500000e-01 -8.5746700000e-01  2.4442200000e-01 -3.4819500000e-01  2.0539420000e+00  1.1699420000e+00 -1.2114800000e+00  1.2969540000e+00  7.0897600000e-01 -8.4993900000e-01  2.0980140000e+00  1.9863300000e+00 -7.1368300000e-01
-ENERGY -1.526588919351e+02
-FORCES  5.3826000000e-03  4.5592000000e-03 -1.0643000000e-03 -1.1964000000e-03  7.0590000000e-04 -5.0563000000e-03  4.9420000000e-03 -5.4990000000e-04  2.7116000000e-03 -1.3615300000e-02 -6.2411000000e-03  1.0111200000e-02  4.9969000000e-03  3.6776000000e-03 -5.9444000000e-03 -5.0980000000e-04 -2.1517000000e-03 -7.5770000000e-04
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6300000000e-04 -2.0460200000e-01  9.3507700000e-01  8.3757200000e-01 -3.3530400000e-01 -3.1980500000e-01  2.3548460000e+00 -1.1258900000e+00 -1.1364430000e+00  2.2380480000e+00 -1.0097750000e+00 -2.0793680000e+00  3.1937020000e+00 -7.0644800000e-01 -9.4507800000e-01
-ENERGY -1.526617337013e+02
-FORCES  9.8458000000e-03 -6.1142000000e-03 -1.7278000000e-03  8.1780000000e-04  6.8010000000e-04 -2.7073000000e-03 -9.0015000000e-03  5.4493000000e-03  3.3722000000e-03  1.9807000000e-03  1.7418000000e-03 -3.2966000000e-03  9.5130000000e-04  1.5660000000e-04  5.4685000000e-03 -4.5941000000e-03 -1.9136000000e-03 -1.1090000000e-03
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0186400000e-01  6.0308900000e-01 -2.4475100000e-01  8.0315400000e-01  4.4216400000e-01 -2.7507600000e-01  4.4395200000e-01 -2.5290390000e+00 -8.8080500000e-01 -2.7166900000e-01 -3.1417450000e+00 -7.1136400000e-01  8.8222000000e-02 -1.6728400000e+00 -6.4287500000e-01
-ENERGY -1.526607005485e+02
-FORCES  2.7860000000e-03 -5.5130000000e-04 -2.8613000000e-03  3.8832000000e-03 -3.2322000000e-03  8.9810000000e-04 -5.3468000000e-03 -1.8170000000e-03  9.5710000000e-04 -4.4455000000e-03  1.1838800000e-02  5.7636000000e-03  1.1045000000e-03  3.1695000000e-03 -2.1080000000e-04  2.0186000000e-03 -9.4078000000e-03 -4.5468000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3280500000e-01  3.6123700000e-01  4.9873500000e-01 -1.1285200000e-01 -9.4858700000e-01  6.0655000000e-02 -3.1083300000e-01 -2.6140850000e+00  7.6122100000e-01 -3.6457500000e-01 -2.6118580000e+00  1.7169080000e+00 -1.0218280000e+00 -3.1910370000e+00  4.8221600000e-01
-ENERGY -1.526598489051e+02
-FORCES -3.9072000000e-03 -1.3534500000e-02  4.5597000000e-03  1.9856000000e-03 -1.1827000000e-03 -7.4700000000e-04  9.7660000000e-04  8.7431000000e-03 -3.2265000000e-03 -1.0418000000e-03  2.8738000000e-03  2.2417000000e-03 -1.1884000000e-03 -5.0810000000e-04 -5.1075000000e-03  3.1752000000e-03  3.6085000000e-03  2.2796000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7356300000e-01  2.2347300000e-01  3.2121400000e-01 -6.3067000000e-02  9.2012000000e-02 -9.5067800000e-01  1.7616800000e-01 -2.7775730000e+00  8.9039000000e-01  2.6464100000e-01 -2.5927100000e+00  1.8253920000e+00  2.2006700000e-01 -1.9184150000e+00  4.7068400000e-01
-ENERGY -1.526612941453e+02
-FORCES -4.3121000000e-03  2.4862000000e-03 -2.2322000000e-03  4.7044000000e-03 -1.5781000000e-03 -1.6699000000e-03 -1.4570000000e-04 -1.2576000000e-03  5.1468000000e-03  1.3453000000e-03  1.1143000000e-02 -5.0360000000e-04 -9.8210000000e-04 -6.5160000000e-04 -2.5605000000e-03 -6.0980000000e-04 -1.0142000000e-02  1.8193000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9945000000e-02 -1.0648800000e-01 -9.4868300000e-01  9.4120300000e-01  4.8931000000e-02  1.6725600000e-01  2.4223810000e+00  8.1824900000e-01  6.8050400000e-01  3.2861530000e+00  5.0566100000e-01  4.1139800000e-01  2.4738060000e+00  8.7376200000e-01  1.6347080000e+00
-ENERGY -1.526587888058e+02
-FORCES  1.5566000000e-02  5.6518000000e-03  1.7487000000e-03  1.8660000000e-03  2.9510000000e-04  2.5988000000e-03 -8.1245000000e-03 -4.5760000000e-03 -1.5612000000e-03 -4.9137000000e-03 -1.5460000000e-03  1.3527000000e-03 -5.1049000000e-03  1.3050000000e-03  1.4809000000e-03  7.1110000000e-04 -1.1298000000e-03 -5.6200000000e-03
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9037000000e-02  8.1753000000e-02 -9.5042200000e-01  2.8066800000e-01 -8.9560700000e-01  1.8800100000e-01 -1.7551050000e+00  1.0904810000e+00 -3.4454020000e+00 -1.8618830000e+00  1.1130050000e+00 -4.3963610000e+00 -2.0158580000e+00  1.9641210000e+00 -3.1538680000e+00
-ENERGY -1.526563451504e+02
-FORCES  6.1050000000e-04 -3.2669000000e-03 -4.2455000000e-03  1.1267000000e-03 -5.2040000000e-04  5.5590000000e-03 -9.0930000000e-04  3.4029000000e-03 -5.5130000000e-04 -2.5836000000e-03  4.0857000000e-03 -3.0697000000e-03  3.9560000000e-04 -2.1400000000e-05  3.9659000000e-03  1.3602000000e-03 -3.6799000000e-03 -1.6584000000e-03
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8835700000e-01  2.2116300000e-01  2.7953600000e-01  5.6582000000e-01  5.5260000000e-01  5.3917900000e-01 -3.7004000000e-02 -2.8939190000e+00  6.1536000000e-01 -9.4332700000e-01 -3.1455610000e+00  4.3791900000e-01 -4.1740000000e-03 -1.9583860000e+00  4.1553100000e-01
-ENERGY -1.526607369587e+02
-FORCES -1.2140000000e-04  5.1713000000e-03  3.0011000000e-03  4.6331000000e-03 -2.9765000000e-03 -9.7300000000e-04 -3.5378000000e-03 -2.5082000000e-03 -2.6128000000e-03 -1.3434000000e-03  8.7625000000e-03 -3.7088000000e-03  2.4780000000e-03  1.7505000000e-03  7.8350000000e-04 -2.1085000000e-03 -1.0199500000e-02  3.5100000000e-03
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1974000000e-02  1.1392900000e-01 -9.4593500000e-01 -1.7971900000e-01  8.6656500000e-01  3.6468900000e-01  2.3390900000e+00 -1.1841900000e+00  8.5648400000e-01  1.4855680000e+00 -1.0086700000e+00  4.6034700000e-01  2.4596580000e+00 -2.1286580000e+00  7.5812300000e-01
-ENERGY -1.526608076973e+02
-FORCES  3.1765000000e-03  3.9601000000e-03  1.2753000000e-03  8.9610000000e-04 -7.3530000000e-04  4.8462000000e-03 -4.5890000000e-04 -3.6261000000e-03 -3.3870000000e-03 -1.0388600000e-02  3.4444000000e-03 -3.1028000000e-03  8.7912000000e-03 -6.3051000000e-03  1.2374000000e-03 -2.0163000000e-03  3.2619000000e-03 -8.6910000000e-04
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4834200000e-01 -5.8343900000e-01  1.2575800000e-01 -2.9649000000e-01  8.4622500000e-01  3.3500500000e-01  1.6692000000e-01  2.8448030000e+00  7.4921200000e-01  2.3624700000e-01  2.8474400000e+00  1.7038950000e+00  1.0347040000e+00  3.1103950000e+00  4.4484100000e-01
-ENERGY -1.526607242317e+02
-FORCES -2.4991000000e-03  6.8357000000e-03  1.4791000000e-03  2.2265000000e-03  3.1775000000e-03  3.9620000000e-04 -1.1441000000e-03 -1.0588500000e-02 -5.3340000000e-04  6.4254000000e-03  1.9537000000e-03  1.0498000000e-03 -8.4580000000e-04 -1.2455000000e-03 -4.8285000000e-03 -4.1629000000e-03 -1.3310000000e-04  2.4369000000e-03
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3086000000e-02 -3.9574000000e-02 -9.5629200000e-01 -7.1359600000e-01  5.9687600000e-01  2.2528000000e-01 -1.6405000000e-02 -1.2908700000e-01 -2.9485520000e+00 -2.2347000000e-02 -8.9217700000e-01 -3.5263840000e+00  8.0551600000e-01  3.1818000000e-01 -3.1501220000e+00
-ENERGY -1.526618221582e+02
-FORCES -3.4056000000e-03  4.7870000000e-04 -8.8588000000e-03  2.2132000000e-03  2.3288000000e-03  1.0007600000e-02  2.2880000000e-03 -1.6929000000e-03 -8.2850000000e-04  2.4705000000e-03 -2.7027000000e-03 -3.9793000000e-03  7.5020000000e-04  4.3308000000e-03  1.6997000000e-03 -4.3162000000e-03 -2.7427000000e-03  1.9593000000e-03
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3219000000e-02  8.2530000000e-03 -9.5507400000e-01  8.7623100000e-01 -2.4617400000e-01  2.9639400000e-01 -2.3258800000e-01  2.7160960000e+00  8.3513100000e-01  1.2376000000e-01  2.7691250000e+00  1.7219430000e+00  1.3551000000e-02  1.8430710000e+00  5.2939400000e-01
-ENERGY -1.526595605982e+02
-FORCES  1.5399000000e-03 -2.5963000000e-03 -3.3215000000e-03  3.9750000000e-04  8.6440000000e-04  5.7806000000e-03 -4.7925000000e-03  4.1630000000e-03 -9.5100000000e-04  4.3770000000e-04 -1.1794000000e-02 -6.8490000000e-04 -4.1350000000e-04 -1.1539000000e-03 -2.9857000000e-03  2.8309000000e-03  1.0516800000e-02  2.1625000000e-03
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8468000000e-02 -9.0811800000e-01 -3.0201300000e-01  8.3828500000e-01  3.3998100000e-01 -3.1292800000e-01 -2.2670200000e-01 -2.4951560000e+00 -8.2182200000e-01 -2.2769700000e-01 -2.7153100000e+00 -1.7533600000e+00 -8.3320400000e-01 -3.1213880000e+00 -4.2657500000e-01
-ENERGY -1.526593931463e+02
-FORCES -4.0900000000e-05 -1.6452600000e-02 -5.3569000000e-03  1.6765000000e-03  8.3209000000e-03  2.3388000000e-03 -2.3205000000e-03 -2.3654000000e-03 -4.3420000000e-04 -2.0646000000e-03  8.1995000000e-03  2.1876000000e-03 -2.6480000000e-04  1.0400000000e-04  5.0409000000e-03  3.0143000000e-03  2.1936000000e-03 -3.7763000000e-03
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3544000000e-02 -8.6536100000e-01 -3.9828600000e-01 -7.9454200000e-01  3.6068000000e-01 -3.9350300000e-01 -6.5377000000e-02 -2.8919280000e+00 -8.4160900000e-01 -6.3430300000e-01 -3.4075550000e+00 -2.7004600000e-01  8.1950000000e-01 -3.0689150000e+00 -5.2238900000e-01
-ENERGY -1.526607874025e+02
-FORCES -3.6012000000e-03 -7.4216000000e-03 -5.1499000000e-03  3.4114000000e-03  8.5965000000e-03  3.4929000000e-03  2.2619000000e-03 -9.1510000000e-04  1.6123000000e-03 -1.9960000000e-04 -5.1528000000e-03  4.2612000000e-03  3.1169000000e-03  1.8884000000e-03 -3.0080000000e-03 -4.9893000000e-03  3.0047000000e-03 -1.2084000000e-03
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8688100000e-01 -4.3912600000e-01 -3.2282900000e-01 -9.3633000000e-02  9.0639200000e-01 -2.9311700000e-01 -2.2896110000e+00 -1.3794160000e+00 -5.6767000000e-01 -2.3317820000e+00 -1.0860380000e+00 -1.4778250000e+00 -3.1182560000e+00 -1.0920600000e+00 -1.8425700000e-01
-ENERGY -1.526576695401e+02
-FORCES -1.2558300000e-02 -6.0116000000e-03 -1.6794000000e-03  8.0758000000e-03  6.3220000000e-03 -4.0716000000e-03 -1.4975000000e-03 -3.5384000000e-03  1.1170000000e-04 -1.4668000000e-03  3.0079000000e-03  1.8812000000e-03  3.4949000000e-03  1.5583000000e-03  7.1303000000e-03  3.9518000000e-03 -1.3381000000e-03 -3.3721000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3183100000e-01 -8.7159200000e-01  3.7306700000e-01  8.4142400000e-01  2.8785100000e-01  3.5408800000e-01  2.4466190000e+00  9.0817200000e-01  7.8807700000e-01  3.2516840000e+00  4.4452500000e-01  5.5757200000e-01  2.6177070000e+00  1.8192630000e+00  5.4959500000e-01
-ENERGY -1.526608641832e+02
-FORCES  1.2818900000e-02  3.0205000000e-03  5.6028000000e-03  1.7748000000e-03  2.3289000000e-03 -9.2850000000e-04 -9.3982000000e-03 -2.8470000000e-03 -2.5377000000e-03 -1.9507000000e-03 -4.9690000000e-04 -4.4148000000e-03 -3.4480000000e-03  3.1258000000e-03  1.3246000000e-03  2.0330000000e-04 -5.1313000000e-03  9.5340000000e-04
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1245000000e-02  2.0278200000e-01  9.3456400000e-01  8.1649300000e-01 -4.6571300000e-01 -1.8078300000e-01 -3.4670000000e-01  2.1443000000e-01  2.6846340000e+00 -1.1032090000e+00 -2.7444200000e-01  3.0085620000e+00 -1.2445200000e-01  8.1294900000e-01  3.3978050000e+00
-ENERGY -1.526608567952e+02
-FORCES  5.4930000000e-04  5.2960000000e-04  1.2958600000e-02  1.7316000000e-03 -8.0950000000e-04 -8.9249000000e-03 -2.1955000000e-03  1.4292000000e-03  1.5444000000e-03 -2.3290000000e-03 -7.9430000000e-04 -3.4381000000e-03  4.0708000000e-03  3.2501000000e-03  5.6420000000e-04 -1.8273000000e-03 -3.6051000000e-03 -2.7042000000e-03
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5434000000e-02 -2.9433300000e-01 -9.0969000000e-01 -7.4330800000e-01 -4.2556700000e-01  4.2733900000e-01  2.1198900000e-01  2.6442580000e+00  5.8364600000e-01  2.6399100000e-01  1.6990420000e+00  4.4189000000e-01  9.1000500000e-01  3.0074360000e+00  3.8571000000e-02
-ENERGY -1.526603185725e+02
-FORCES -3.3214000000e-03  4.7500000000e-03 -1.0818000000e-03 -2.1680000000e-04  5.2060000000e-04  4.6806000000e-03  3.7177000000e-03  1.6476000000e-03 -3.1681000000e-03  8.7300000000e-04 -1.4051100000e-02 -4.2862000000e-03  1.0250000000e-03  9.2516000000e-03  3.2086000000e-03 -2.0775000000e-03 -2.1187000000e-03  6.4690000000e-04
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3536100000e-01 -5.7685000000e-02  9.4582300000e-01  1.1498000000e-01  9.3505000000e-01 -1.6939100000e-01  1.5949300000e-01  2.7614000000e-02  3.0043560000e+00 -5.0076300000e-01 -5.4608700000e-01  3.3931510000e+00  9.9586000000e-01 -3.5021600000e-01  3.2763220000e+00
-ENERGY -1.526614452470e+02
-FORCES  5.3850000000e-04  3.8033000000e-03  9.0317000000e-03 -1.8707000000e-03 -1.6720000000e-03 -9.7167000000e-03 -1.7910000000e-04 -2.9032000000e-03  2.1900000000e-05  2.6411000000e-03 -3.3843000000e-03  4.4799000000e-03  3.4717000000e-03  2.5136000000e-03 -3.1199000000e-03 -4.6016000000e-03  1.6425000000e-03 -6.9700000000e-04
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9878000000e-02  2.0538000000e-02  9.5510500000e-01  9.1963900000e-01 -1.9643400000e-01 -1.7863500000e-01  2.0727000000e-02 -3.0450100000e-01  2.8179920000e+00 -7.8148700000e-01 -8.2561700000e-01  2.8514920000e+00 -1.6160500000e-01  4.5276400000e-01  3.3743520000e+00
-ENERGY -1.526612411117e+02
-FORCES  4.3107000000e-03 -1.2939000000e-03  1.2211600000e-02 -3.6145000000e-03  3.1910000000e-04 -9.6527000000e-03 -2.5750000000e-03  6.6480000000e-04  9.9900000000e-05 -2.8415000000e-03  6.9500000000e-05  2.5155000000e-03  4.3644000000e-03  4.3568000000e-03 -1.7548000000e-03  3.5580000000e-04 -4.1162000000e-03 -3.4196000000e-03
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4339000000e-02 -8.5233000000e-01 -4.3538400000e-01  7.9447000000e-01  4.2273100000e-01 -3.2611000000e-01 -6.8187000000e-02  2.8139900000e-01  2.8796100000e+00 -2.0839600000e-01  2.1760700000e-01  1.9348860000e+00 -9.4356500000e-01  4.1297500000e-01  3.2437990000e+00
-ENERGY -1.526621467453e+02
-FORCES  3.8529000000e-03 -2.1287000000e-03 -2.0080000000e-03  5.3180000000e-04  4.4080000000e-03  1.2260000000e-03 -3.9629000000e-03 -2.7652000000e-03  1.0204000000e-03 -2.5598000000e-03 -6.2060000000e-04 -9.0444000000e-03 -3.1260000000e-04  1.8458000000e-03  1.0790200000e-02  2.4506000000e-03 -7.3930000000e-04 -1.9843000000e-03
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1878000000e-02 -1.3072500000e-01  9.4681100000e-01  6.0943000000e-01  7.1656900000e-01 -1.7707700000e-01 -3.0660000000e-03  1.8693100000e-01  3.2302400000e+00  3.0529900000e-01 -6.2426300000e-01  3.6341050000e+00  6.8905700000e-01  8.2304600000e-01  3.4106720000e+00
-ENERGY -1.526593636856e+02
-FORCES  1.1639000000e-03  2.7104000000e-03  6.8857000000e-03  1.5461000000e-03 -1.2316000000e-03 -9.2619000000e-03 -1.7457000000e-03 -2.3487000000e-03  6.1960000000e-04  3.1771000000e-03  2.0660000000e-04  6.5943000000e-03 -1.1490000000e-03  4.0816000000e-03 -2.8921000000e-03 -2.9925000000e-03 -3.4183000000e-03 -1.9456000000e-03
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4961800000e-01 -8.6210000000e-03  9.4539500000e-01  4.7788000000e-02 -9.2027100000e-01 -2.5893800000e-01 -2.3728760000e+00  1.2871100000e+00 -6.5229700000e-01 -3.1441380000e+00  8.6333900000e-01 -2.7572700000e-01 -1.6603180000e+00  6.6590400000e-01 -5.0198000000e-01
-ENERGY -1.526598861940e+02
-FORCES  5.3080000000e-04 -1.5310000000e-04  3.3965000000e-03 -9.4020000000e-04 -1.2623000000e-03 -5.1011000000e-03 -2.3638000000e-03  5.2564000000e-03  1.7569000000e-03  9.6660000000e-03 -6.6511000000e-03  3.4584000000e-03  3.5898000000e-03  2.9420000000e-04 -5.0280000000e-04 -1.0482500000e-02  2.5158000000e-03 -3.0079000000e-03
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0029800000e-01 -9.0600400000e-01 -2.3509600000e-01  8.4392700000e-01  4.5005900000e-01 -3.8293000000e-02 -2.5149300000e-01 -1.2988600000e-01  2.5867370000e+00 -3.6825500000e-01 -1.5404800000e-01  1.6369920000e+00  5.9326600000e-01  3.0194400000e-01  2.7137670000e+00
-ENERGY -1.526553010374e+02
-FORCES  3.8154000000e-03 -8.9590000000e-04  1.0823800000e-02 -1.0892000000e-03  5.4565000000e-03  3.7279000000e-03 -4.2013000000e-03 -3.2101000000e-03  1.7474000000e-03  3.1298000000e-03  3.3964000000e-03 -2.2801500000e-02 -3.4980000000e-04 -3.7816000000e-03  7.7135000000e-03 -1.3049000000e-03 -9.6520000000e-04 -1.2111000000e-03
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9458900000e-01 -5.9280000000e-02 -8.1737400000e-01 -1.2311200000e-01 -8.5257200000e-01  4.1736800000e-01  4.3813000000e-02 -2.4185800000e+00  1.2993590000e+00  9.0211200000e-01 -2.8314580000e+00  1.2040420000e+00 -1.6537700000e-01 -2.5116360000e+00  2.2287740000e+00
-ENERGY -1.526616269441e+02
-FORCES -1.5488000000e-03 -1.1846600000e-02  5.0238000000e-03  1.4745000000e-03 -1.1286000000e-03  2.7115000000e-03 -3.2280000000e-04  8.9268000000e-03 -5.6874000000e-03  3.0429000000e-03  2.9378000000e-03  9.8430000000e-04 -4.6463000000e-03  1.4547000000e-03  1.4760000000e-03  2.0006000000e-03 -3.4420000000e-04 -4.5081000000e-03
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6132000000e-02 -4.7387000000e-02  9.5213800000e-01  5.8879000000e-02  9.3419900000e-01 -2.0009500000e-01  2.4480390000e+00 -9.4288400000e-01 -7.8675800000e-01  1.6089080000e+00 -5.2929200000e-01 -5.8419700000e-01  3.0948150000e+00 -4.1587700000e-01 -3.1752800000e-01
-ENERGY -1.526587441720e+02
-FORCES  1.5203000000e-03  6.4140000000e-04  2.9654000000e-03  1.1096000000e-03  1.1847000000e-03 -5.8692000000e-03  2.8394000000e-03 -6.2318000000e-03  1.1592000000e-03 -1.3026900000e-02  5.6316000000e-03  4.6061000000e-03  1.1119600000e-02 -5.0450000000e-04 -2.2818000000e-03 -3.5620000000e-03 -7.2150000000e-04 -5.7980000000e-04
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3141000000e-01 -5.8152100000e-01 -4.2354000000e-01 -2.4635800000e-01  8.7687900000e-01 -2.9431700000e-01  1.1902600000e-01 -2.7112800000e-01  2.6709510000e+00  2.6969600000e-01 -4.0482100000e-01  1.7351860000e+00  8.7368100000e-01 -6.7848300000e-01  3.0961440000e+00
-ENERGY -1.526602493617e+02
-FORCES -3.4118000000e-03  3.3262000000e-03  5.1431000000e-03  3.0596000000e-03  3.1367000000e-03  2.4311000000e-03  4.3100000000e-04 -4.9259000000e-03 -6.7580000000e-04  7.9220000000e-04  1.2321000000e-03 -1.3089400000e-02  1.0322000000e-03 -3.8017000000e-03  9.7497000000e-03 -1.9032000000e-03  1.0326000000e-03 -3.5588000000e-03
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2602000000e-02 -2.6692000000e-02 -9.5233600000e-01 -1.0803600000e-01 -9.0978600000e-01  2.7721800000e-01  6.4442000000e-02 -2.7444520000e+00  2.6370800000e-01 -1.2504100000e-01 -2.7516160000e+00  1.2019390000e+00 -7.2038000000e-01 -3.1123230000e+00 -1.4244100000e-01
-ENERGY -1.526572906069e+02
-FORCES  1.7190000000e-03 -1.6114700000e-02 -3.1456000000e-03 -5.1830000000e-04  7.5990000000e-04  2.2845000000e-03 -3.1465000000e-03  7.6433000000e-03  5.0147000000e-03 -2.3981000000e-03 -1.5790000000e-04  4.8110000000e-04  1.6770000000e-04  4.3232000000e-03 -6.7543000000e-03  4.1763000000e-03  3.5462000000e-03  2.1195000000e-03
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9583000000e-02  3.4979000000e-02 -9.5470300000e-01 -1.6998800000e-01  9.0448400000e-01  2.6314500000e-01 -1.0344400000e-01  2.4110400000e-01 -2.9246820000e+00 -6.9387600000e-01 -4.0359500000e-01 -3.3145340000e+00  7.7239900000e-01 -5.4267000000e-02 -3.1734560000e+00
-ENERGY -1.526615228684e+02
-FORCES -1.7623000000e-03  4.4367000000e-03 -9.8008000000e-03  2.9176000000e-03 -2.4977000000e-03  9.8131000000e-03  6.2890000000e-04 -2.7262000000e-03 -5.0820000000e-04 -5.7120000000e-04 -3.3228000000e-03 -4.4929000000e-03  3.7322000000e-03  3.0954000000e-03  1.7834000000e-03 -4.9451000000e-03  1.0146000000e-03  3.2055000000e-03
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3464700000e-01  5.1051900000e-01 -3.4043400000e-01  7.7630600000e-01  5.0289300000e-01 -2.4633100000e-01  1.0427200000e-01 -2.9456800000e-01 -4.4362590000e+00  7.6694300000e-01  2.8763100000e-01 -4.0645830000e+00  1.1738200000e-01 -1.0658540000e+00 -3.8695340000e+00
-ENERGY -1.526547386289e+02
-FORCES -4.5340000000e-04  4.7139000000e-03 -1.3855000000e-03  3.4568000000e-03 -2.3043000000e-03  1.4419000000e-03 -3.0554000000e-03 -2.4419000000e-03  3.2280000000e-04  2.9234000000e-03 -1.5883000000e-03  3.8239000000e-03 -2.8137000000e-03 -1.8511000000e-03 -1.2779000000e-03 -5.7800000000e-05  3.4717000000e-03 -2.9252000000e-03
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1473400000e-01 -4.2634900000e-01  2.6583300000e-01  8.7661000000e-02  9.0073300000e-01  3.1181400000e-01 -2.1477530000e+00 -1.2290500000e+00  1.2028950000e+00 -1.9900160000e+00 -2.1034090000e+00  8.4673900000e-01 -1.4205680000e+00 -7.0094300000e-01  8.7344700000e-01
-ENERGY -1.526599506988e+02
-FORCES  9.4990000000e-04 -4.1810000000e-04  2.8282000000e-03 -4.8409000000e-03  2.2391000000e-03 -1.0835000000e-03 -1.0630000000e-03 -5.9337000000e-03 -5.0120000000e-04  1.2155000000e-02  4.4557000000e-03 -9.1769000000e-03  8.7600000000e-05  1.9828000000e-03  1.4093000000e-03 -7.2886000000e-03 -2.3258000000e-03  6.5241000000e-03
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0840000000e-03  9.5316000000e-01  8.7751000000e-02  1.1215000000e-02 -1.5398700000e-01 -9.4466600000e-01 -1.0294000000e-01  2.6821850000e+00  7.0941900000e-01 -8.9296700000e-01  3.2187610000e+00  6.4480200000e-01  6.1742000000e-02  2.6097580000e+00  1.6495610000e+00
-ENERGY -1.526616060166e+02
-FORCES -2.5810000000e-04  1.2245500000e-02  2.0430000000e-04  1.2896000000e-03 -1.0717000000e-02 -1.6518000000e-03 -5.1970000000e-04  1.7780000000e-03  2.6697000000e-03 -2.9648000000e-03 -1.6454000000e-03  2.9590000000e-03  4.0648000000e-03 -2.2017000000e-03  1.0590000000e-03 -1.6118000000e-03  5.4070000000e-04 -5.2402000000e-03
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4052100000e-01 -4.2904200000e-01  4.2869900000e-01 -9.3300000000e-03  8.8459100000e-01  3.6557200000e-01  3.8869500000e-01 -2.3698000000e-02 -2.7322290000e+00  4.5161900000e-01  2.7274000000e-02 -1.7784600000e+00  1.1645960000e+00 -5.1729000000e-01 -2.9978900000e+00
-ENERGY -1.526593022980e+02
-FORCES  5.9860000000e-04  1.6001000000e-03  1.4632000000e-03 -3.0314000000e-03  2.9355000000e-03 -4.5290000000e-03  1.0156000000e-03 -5.1547000000e-03 -2.3965000000e-03 -1.2630000000e-03 -1.0690000000e-03  1.2908500000e-02  4.8293000000e-03  4.2020000000e-04 -1.0325700000e-02 -2.1491000000e-03  1.2678000000e-03  2.8794000000e-03
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3617000000e-02  1.1935900000e-01 -9.4510400000e-01 -7.6230600000e-01  5.2931900000e-01  2.3439700000e-01  1.2978700000e-01  1.0383400000e-01 -2.7393470000e+00  9.2041200000e-01  4.9150900000e-01 -3.1146490000e+00  6.5954000000e-02 -7.5766200000e-01 -3.1516370000e+00
-ENERGY -1.526615201949e+02
-FORCES -1.4451000000e-03  2.0316000000e-03 -1.4064200000e-02  6.1430000000e-04  1.9580000000e-04  1.0454000000e-02  2.0702000000e-03 -1.3620000000e-03 -1.3610000000e-03  1.6314000000e-03 -3.1077000000e-03  1.5274000000e-03 -4.0440000000e-03 -2.7380000000e-03  2.2141000000e-03  1.1733000000e-03  4.9803000000e-03  1.2297000000e-03
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3396000000e-02  1.9323000000e-02 -9.5336400000e-01 -3.0350100000e-01  8.7761400000e-01  2.3219200000e-01 -4.8535300000e-01  2.6078530000e+00  8.4741300000e-01 -7.0486000000e-01  2.5615210000e+00  1.7779520000e+00 -1.1026020000e+00  3.2443080000e+00  4.8663500000e-01
-ENERGY -1.526608435654e+02
-FORCES -1.5251000000e-03  1.2820800000e-02  7.9470000000e-04 -7.2820000000e-04  6.2680000000e-04  2.5948000000e-03  6.3520000000e-04 -1.0248400000e-02 -1.5835000000e-03 -1.7941000000e-03 -9.0000000000e-05  1.6028000000e-03  3.5370000000e-04  1.4840000000e-04 -5.6300000000e-03  3.0585000000e-03 -3.2576000000e-03  2.2212000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3146100000e-01 -1.3879600000e-01 -9.3791500000e-01  8.4524000000e-01  4.4512000000e-01  6.0580000000e-02 -2.3324210000e+00  1.1973850000e+00  9.7349500000e-01 -1.6134570000e+00  7.4060000000e-01  5.3683800000e-01 -2.2842320000e+00  2.0937670000e+00  6.4121600000e-01
-ENERGY -1.526597676889e+02
-FORCES  2.3888000000e-03  2.5719000000e-03 -8.6000000000e-06 -6.5090000000e-04  2.5746000000e-03  5.6250000000e-03 -4.0194000000e-03 -2.4942000000e-03 -1.7980000000e-03  1.1680300000e-02 -3.2341000000e-03 -4.4792000000e-03 -9.8946000000e-03  3.3232000000e-03  9.3700000000e-05  4.9580000000e-04 -2.7415000000e-03  5.6700000000e-04
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7115200000e-01 -5.6693100000e-01 -1.2055000000e-02  2.2988600000e-01  1.1210800000e-01 -9.2239700000e-01 -1.4559500000e-01 -2.9407800000e-01 -2.8233250000e+00  6.1792300000e-01 -7.5347100000e-01 -3.1729420000e+00 -8.9248300000e-01 -8.2528800000e-01 -3.0993790000e+00
-ENERGY -1.526589614361e+02
-FORCES -3.6398000000e-03 -2.4836000000e-03 -1.2996900000e-02  1.3999000000e-03  1.0012000000e-03  1.3810000000e-03  3.8527000000e-03  1.2489000000e-03  7.4118000000e-03 -1.6355000000e-03 -4.0057000000e-03  9.8500000000e-05 -3.9399000000e-03  2.3190000000e-03  2.8507000000e-03  3.9625000000e-03  1.9202000000e-03  1.2550000000e-03
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8864600000e-01 -5.0453800000e-01  1.9927500000e-01 -4.4687000000e-02  1.5232500000e-01 -9.4394500000e-01  3.8426160000e+00  8.9678000000e-02 -3.2584200000e-01  3.1778030000e+00 -4.1305200000e-01  1.4481500000e-01  3.7105570000e+00  9.9240100000e-01 -3.6214000000e-02
-ENERGY -1.526570396366e+02
-FORCES -4.5708000000e-03 -1.2709000000e-03 -3.5152000000e-03  3.3176000000e-03  2.0956000000e-03 -9.8080000000e-04 -1.0740000000e-04 -6.6400000000e-04  4.3143000000e-03 -4.6255000000e-03  1.5342000000e-03  3.8517000000e-03  4.7204000000e-03  1.4677000000e-03 -2.1461000000e-03  1.2656000000e-03 -3.1625000000e-03 -1.5238000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2068200000e-01  2.6854200000e-01 -4.1303600000e-01  1.1943500000e-01 -9.0974600000e-01 -2.7263300000e-01 -2.2201260000e+00  1.2867650000e+00 -1.0183860000e+00 -2.9426610000e+00  8.6616300000e-01 -5.5226700000e-01 -2.1852930000e+00  2.1727460000e+00 -6.5775400000e-01
-ENERGY -1.526605802689e+02
-FORCES -9.6050000000e-03  4.8870000000e-03 -6.9318000000e-03  6.7988000000e-03 -7.2757000000e-03  5.9541000000e-03 -2.3412000000e-03  3.0529000000e-03  2.6890000000e-04  6.9210000000e-04  3.2860000000e-03  4.1859000000e-03  5.8149000000e-03  9.8150000000e-04 -1.7922000000e-03 -1.3596000000e-03 -4.9317000000e-03 -1.6850000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4940000000e-03 -8.4487900000e-01 -4.4985400000e-01  7.6696900000e-01  4.5967300000e-01 -3.4160200000e-01 -2.5188700000e-01 -2.4052150000e+00 -1.1161310000e+00 -3.6648300000e-01 -2.4178000000e+00 -2.0663630000e+00 -1.0815630000e+00 -2.7339180000e+00 -7.6997400000e-01
-ENERGY -1.526600210335e+02
-FORCES  6.9900000000e-04 -1.5427500000e-02 -7.5840000000e-03  5.1800000000e-05  9.7968000000e-03  4.1991000000e-03 -2.1663000000e-03 -2.6792000000e-03 -5.7070000000e-04 -3.4140000000e-03  5.7080000000e-03  1.5933000000e-03  3.1580000000e-04  4.3840000000e-04  5.2678000000e-03  4.5136000000e-03  2.1635000000e-03 -2.9056000000e-03
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7251600000e-01 -4.4887500000e-01  3.4345700000e-01  7.3820100000e-01 -4.2338000000e-01  4.3822400000e-01  2.2294400000e-01  1.9836000000e-01 -2.6205030000e+00  5.0097400000e-01  2.5927600000e-01 -1.7066000000e+00  1.5857500000e-01  1.1075380000e+00 -2.9128790000e+00
-ENERGY -1.526569937393e+02
-FORCES -4.8636000000e-03 -3.2046000000e-03 -7.7126000000e-03  4.6500000000e-03  1.9165000000e-03  1.0724000000e-03 -3.3287000000e-03  2.1831000000e-03 -4.7063000000e-03 -2.2405000000e-03  9.2450000000e-04  1.5749700000e-02  5.8507000000e-03  7.8580000000e-04 -6.6945000000e-03 -6.8000000000e-05 -2.6052000000e-03  2.2913000000e-03
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5239300000e-01 -4.2662600000e-01 -8.7459000000e-02  6.0045300000e-01 -5.6049900000e-01 -4.9145600000e-01  2.1600790000e+00 -1.2647550000e+00 -7.8278000000e-01  2.9823830000e+00 -8.7813700000e-01 -4.8182400000e-01  2.1504500000e+00 -2.1400040000e+00 -3.9537900000e-01
-ENERGY -1.526581217387e+02
-FORCES  1.3279200000e-02 -7.1262000000e-03 -5.9901000000e-03  4.6549000000e-03 -1.1783000000e-03 -4.5600000000e-04 -9.7867000000e-03  1.3628000000e-03  2.2655000000e-03 -4.3827000000e-03  6.1194000000e-03  7.5166000000e-03 -2.8449000000e-03 -3.9689000000e-03 -1.4997000000e-03 -9.1970000000e-04  4.7913000000e-03 -1.8364000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1102300000e-01 -4.2068800000e-01  2.8547200000e-01 -4.4038000000e-02  8.8182200000e-01  3.6970600000e-01 -2.1313980000e+00 -1.2271030000e+00  1.3101240000e+00 -2.0830690000e+00 -1.2475560000e+00  2.2658850000e+00 -2.0586250000e+00 -2.1443930000e+00  1.0464660000e+00
-ENERGY -1.526602834858e+02
-FORCES -1.1478300000e-02 -2.5539000000e-03  7.6256000000e-03  7.1095000000e-03  1.4880000000e-03 -6.6974000000e-03  3.5070000000e-04 -2.4676000000e-03 -4.8490000000e-04  4.3147000000e-03 -1.3366000000e-03  3.0018000000e-03 -1.0216000000e-03 -7.0610000000e-04 -4.5681000000e-03  7.2490000000e-04  5.5763000000e-03  1.1230000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1114300000e-01  2.8727300000e-01  8.8832700000e-01 -7.2786500000e-01  3.1769600000e-01 -5.3433500000e-01  2.5469870000e+00  7.3948300000e-01 -9.8573500000e-01  1.6496330000e+00  6.2541800000e-01 -6.7272300000e-01  2.7340770000e+00  1.6676190000e+00 -8.4504500000e-01
-ENERGY -1.526607808318e+02
-FORCES -2.7746000000e-03  7.0150000000e-04  1.7053000000e-03  7.9790000000e-04 -5.6630000000e-04 -5.1968000000e-03  4.5074000000e-03 -6.1370000000e-04  3.2208000000e-03 -1.0063300000e-02 -1.3649000000e-03  4.5145000000e-03  9.3787000000e-03  4.7246000000e-03 -4.4474000000e-03 -1.8460000000e-03 -2.8812000000e-03  2.0350000000e-04
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2500900000e-01  8.7132400000e-01 -2.2670600000e-01  7.0819700000e-01 -5.9307900000e-01 -2.5089000000e-01 -1.9113100000e-01  8.3144000000e-02  2.7151940000e+00  4.7430000000e-03  5.3591000000e-02  1.7787160000e+00 -9.6597500000e-01 -4.6976900000e-01  2.8158730000e+00
-ENERGY -1.526601130848e+02
-FORCES  1.8456000000e-03  1.3518000000e-03  1.1928000000e-03 -9.4140000000e-04 -5.6051000000e-03  2.8898000000e-03 -3.7049000000e-03  3.8742000000e-03  2.9967000000e-03 -2.1878000000e-03 -2.3625000000e-03 -1.6627900000e-02  2.7909000000e-03  1.6352000000e-03  9.6210000000e-03  2.1976000000e-03  1.1064000000e-03 -7.2500000000e-05
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0443000000e-02  2.4150500000e-01 -9.2617400000e-01  8.3437900000e-01  3.2176600000e-01  3.4133700000e-01 -3.3057600000e-01 -2.5430580000e+00  7.6348200000e-01 -2.7255100000e-01 -2.6942980000e+00  1.7068760000e+00 -8.0490000000e-03 -1.6498770000e+00  6.4333600000e-01
-ENERGY -1.526578893412e+02
-FORCES -6.5520000000e-04 -4.3977000000e-03 -3.5539000000e-03  9.4120000000e-04  3.5090000000e-04  5.2089000000e-03 -4.6374000000e-03 -4.9822000000e-03 -9.3200000000e-04  3.5510000000e-04  1.4336800000e-02 -3.5537000000e-03  7.8560000000e-04  2.7765000000e-03 -3.0018000000e-03  3.2108000000e-03 -8.0843000000e-03  5.8325000000e-03
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9432300000e-01 -6.9322000000e-02 -8.6944600000e-01  5.4015100000e-01 -5.6341300000e-01  5.5410700000e-01 -2.4547890000e+00 -1.1919130000e+00  8.4873500000e-01 -3.2682490000e+00 -8.1824700000e-01  5.0978200000e-01 -1.7689410000e+00 -8.1117900000e-01  3.0020500000e-01
-ENERGY -1.526612144327e+02
-FORCES  4.6859000000e-03 -2.0391000000e-03  1.1347000000e-03 -2.5344000000e-03 -1.9620000000e-04  4.3951000000e-03 -2.9724000000e-03  2.6497000000e-03 -4.0785000000e-03  6.1518000000e-03  6.4135000000e-03 -4.4783000000e-03  3.1827000000e-03 -7.5460000000e-04  2.1610000000e-04 -8.5136000000e-03 -6.0733000000e-03  2.8109000000e-03
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2557600000e-01 -2.2919000000e-02 -9.4865000000e-01 -9.3106000000e-02 -9.1165300000e-01  2.7650000000e-01 -3.2632300000e-01 -2.5861510000e+00  8.7328000000e-01 -1.0690270000e+00 -3.0470050000e+00  4.8310500000e-01  4.2790200000e-01 -3.1452230000e+00  6.8669700000e-01
-ENERGY -1.526604028578e+02
-FORCES -2.1720000000e-03 -1.3763100000e-02  2.9738000000e-03  6.8400000000e-05 -1.2225000000e-03  2.8290000000e-03  1.9335000000e-03  9.7086000000e-03 -4.4919000000e-03  2.8700000000e-05 -1.5680000000e-04 -2.3047000000e-03  4.8081000000e-03  2.2959000000e-03  1.0871000000e-03 -4.6667000000e-03  3.1380000000e-03 -9.3400000000e-05
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4550000000e-02 -6.2046000000e-02  9.5143800000e-01 -7.2047600000e-01  5.7023900000e-01 -2.6827900000e-01 -1.2811600000e-01 -2.7259480000e+00 -7.2081200000e-01 -5.6856000000e-02 -2.7334330000e+00 -1.6753270000e+00 -2.0431800000e-01 -1.7993540000e+00 -4.9310500000e-01
-ENERGY -1.526609670331e+02
-FORCES -1.8473000000e-03  1.6215000000e-03  2.7212000000e-03 -5.9180000000e-04 -5.8600000000e-04 -6.0150000000e-03  3.5831000000e-03 -3.6873000000e-03  1.4281000000e-03  1.6953000000e-03  1.2744100000e-02 -2.8790000000e-04 -6.8350000000e-04  4.7630000000e-04  2.6102000000e-03 -2.1558000000e-03 -1.0568600000e-02 -4.5660000000e-04
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8603500000e-01 -4.4913400000e-01 -3.1090200000e-01  1.2976000000e-02 -1.2288200000e-01  9.4919100000e-01  2.1305780000e+00 -1.1358490000e+00 -9.8312500000e-01  2.1023710000e+00 -2.0381120000e+00 -6.6475700000e-01  2.9722220000e+00 -7.9910700000e-01 -6.7576000000e-01
-ENERGY -1.526574182888e+02
-FORCES  1.7386800000e-02 -8.2629000000e-03 -7.0553000000e-03 -8.4535000000e-03  1.4411000000e-03  5.6368000000e-03  2.0045000000e-03 -9.7390000000e-04 -3.1160000000e-03 -5.1525000000e-03  4.0264000000e-03  4.8626000000e-03 -7.9750000000e-04  6.7708000000e-03  3.1810000000e-04 -4.9879000000e-03 -3.0015000000e-03 -6.4630000000e-04
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1859800000e-01 -1.1839000000e-01  9.4241700000e-01 -2.2114500000e-01 -8.7255600000e-01 -3.2553600000e-01 -2.0149240000e+00  1.6063690000e+00 -9.0690300000e-01 -2.7773040000e+00  1.1603090000e+00 -5.3807000000e-01 -1.2638580000e+00  1.1278370000e+00 -5.5599000000e-01
-ENERGY -1.526599810129e+02
-FORCES -3.3739000000e-03 -7.6920000000e-04  1.8900000000e-04 -1.5690000000e-03 -2.6890000000e-04 -5.1907000000e-03  2.2040000000e-04  4.8605000000e-03  2.8934000000e-03  1.0094500000e-02 -9.4388000000e-03  6.6179000000e-03  2.5709000000e-03  3.8300000000e-04 -8.0540000000e-04 -7.9428000000e-03  5.2334000000e-03 -3.7041000000e-03
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0949300000e-01  4.7793700000e-01  1.8036000000e-01  6.9326700000e-01  5.6452200000e-01  3.4194600000e-01  3.1168100000e-01 -2.7189720000e+00  1.1626460000e+00 -5.8047300000e-01 -3.0440890000e+00  1.0418460000e+00  3.7725600000e-01 -1.9715190000e+00  5.6830200000e-01
-ENERGY -1.526603241281e+02
-FORCES -1.5124000000e-03  3.9605000000e-03  3.8420000000e-03  3.8843000000e-03 -1.3953000000e-03 -1.0309000000e-03 -3.5271000000e-03 -2.7130000000e-03 -1.6848000000e-03 -4.1392000000e-03  7.5760000000e-03 -5.1008000000e-03  2.4630000000e-03  8.0180000000e-04  7.4980000000e-04  2.8314000000e-03 -8.2300000000e-03  3.2247000000e-03
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2359000000e-02 -1.7867000000e-01 -9.3583100000e-01 -7.6693600000e-01 -4.1040300000e-01  3.9951200000e-01 -2.0665560000e+00 -1.2668350000e+00  1.5160530000e+00 -2.8483450000e+00 -8.0852300000e-01  1.2078530000e+00 -2.1206090000e+00 -2.1325130000e+00  1.1111930000e+00
-ENERGY -1.526595115918e+02
-FORCES -7.9321000000e-03 -5.2966000000e-03  4.8744000000e-03 -1.1299000000e-03 -3.8980000000e-04  3.6486000000e-03  5.9233000000e-03  4.7234000000e-03 -8.8902000000e-03 -3.8131000000e-03 -2.8233000000e-03  2.1960000000e-04  6.0928000000e-03 -2.2318000000e-03 -3.3300000000e-04  8.5900000000e-04  6.0180000000e-03  4.8050000000e-04
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1428100000e-01  1.7657400000e-01 -9.3380600000e-01  2.2428700000e-01  8.4977000000e-01  3.7923400000e-01  2.9745900000e-01  2.5540860000e+00  3.5452000000e-01  3.4408500000e-01  2.4384700000e+00  1.3035670000e+00  1.0788180000e+00  3.0619610000e+00  1.3595400000e-01
-ENERGY -1.526526588666e+02
-FORCES  1.8847000000e-03  2.2696600000e-02 -3.2156000000e-03  4.7020000000e-04 -2.4355000000e-03  1.0509000000e-03 -1.2430000000e-04 -2.2614000000e-03  1.0251800000e-02  1.6658000000e-03 -8.9701000000e-03 -1.0963000000e-03  7.4690000000e-04 -6.0915000000e-03 -8.3502000000e-03 -4.6433000000e-03 -2.9381000000e-03  1.3595000000e-03
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5745000000e-02  5.1122000000e-02 -9.5282800000e-01  9.0349200000e-01  3.1172000000e-02  3.1458400000e-01 -1.4264700000e-01  4.9722000000e-02 -2.5999890000e+00  6.8075300000e-01 -2.9746200000e-01 -2.9430740000e+00 -1.4651000000e-01  9.6827000000e-01 -2.8692230000e+00
-ENERGY -1.526569121181e+02
-FORCES -1.0477000000e-03 -7.9800000000e-05 -2.0255000000e-02  4.1428000000e-03  1.3713000000e-03  1.0038900000e-02 -2.0706000000e-03 -1.1820000000e-04 -4.0377000000e-03  1.3341000000e-03  1.2946000000e-03  6.5620000000e-03 -3.8733000000e-03  3.2129000000e-03  4.7618000000e-03  1.5147000000e-03 -5.6807000000e-03  2.9300000000e-03
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8674400000e-01 -2.9032900000e-01  2.1360500000e-01  5.7110400000e-01 -6.3431700000e-01  4.3326000000e-01  2.1883990000e+00  3.9694760000e+00  2.6311900000e-01  2.1419350000e+00  4.8441880000e+00  6.4906300000e-01  1.3594050000e+00  3.5562990000e+00  5.0454200000e-01
-ENERGY -1.526550021969e+02
-FORCES -9.6430000000e-04 -4.6211000000e-03  2.2009000000e-03  3.6757000000e-03  1.4390000000e-03 -7.5740000000e-04 -2.6848000000e-03  2.6240000000e-03 -1.6529000000e-03 -4.0416000000e-03  1.0427000000e-03  2.1334000000e-03  2.0560000000e-04 -3.4625000000e-03 -1.4912000000e-03  3.8093000000e-03  2.9778000000e-03 -4.3290000000e-04
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4791700000e-01 -1.5310300000e-01 -4.1692600000e-01  6.3003100000e-01 -4.4470200000e-01 -5.6703900000e-01 -2.2344680000e+00 -1.1112250000e+00 -1.2228170000e+00 -2.1765690000e+00 -1.2295830000e+00 -2.1709050000e+00 -2.1926650000e+00 -1.9989110000e+00 -8.6715200000e-01
-ENERGY -1.526598996325e+02
-FORCES -9.9462000000e-03 -5.8150000000e-03 -8.4394000000e-03  7.4746000000e-03  3.7977000000e-03  4.6693000000e-03 -1.6504000000e-03  7.7460000000e-04  1.4883000000e-03  2.9992000000e-03 -3.2190000000e-03  1.1320000000e-04  8.6360000000e-04 -6.6500000000e-05  5.1599000000e-03  2.5920000000e-04  4.5283000000e-03 -2.9914000000e-03
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8602800000e-01  2.2411000000e-02 -9.3868200000e-01 -8.2031000000e-02 -9.2326200000e-01  2.3893600000e-01 -1.8759100000e-01 -2.4194090000e+00  1.1908330000e+00 -9.0174000000e-01 -2.8732050000e+00  7.4329200000e-01  6.0257300000e-01 -2.8828250000e+00  9.1313200000e-01
-ENERGY -1.526581523892e+02
-FORCES -1.5069000000e-03 -1.3231600000e-02  6.4198000000e-03  1.6020000000e-04 -2.7863000000e-03  3.5548000000e-03  9.4450000000e-04  7.7131000000e-03 -8.7708000000e-03  5.9190000000e-04 -4.5390000000e-04 -1.1189000000e-03  5.0338000000e-03  4.6225000000e-03  3.0890000000e-04 -5.2235000000e-03  4.1362000000e-03 -3.9380000000e-04
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3682000000e-01 -4.0894500000e-01 -4.5397300000e-01 -4.4332000000e-02  9.2216700000e-01 -2.5273500000e-01  2.4425000000e-02 -5.2326000000e-02  2.6521790000e+00  5.6789000000e-02 -1.8739400000e-01  1.7051090000e+00 -6.1531000000e-02  8.9526500000e-01  2.7566540000e+00
-ENERGY -1.526579695149e+02
-FORCES -2.9077000000e-03  2.1822000000e-03  7.2350000000e-03  3.8107000000e-03  3.1352000000e-03  2.4683000000e-03 -7.1300000000e-04 -4.8468000000e-03  1.8633000000e-03 -1.7640000000e-04  2.2337000000e-03 -1.9177900000e-02 -2.3060000000e-04 -8.0900000000e-04  8.6873000000e-03  2.1700000000e-04 -1.8952000000e-03 -1.0761000000e-03
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6511000000e-01  1.9223800000e-01 -9.2304700000e-01  5.9271300000e-01  5.8165400000e-01  4.7602700000e-01 -1.9083100000e-01 -2.6742950000e+00  8.6116400000e-01  7.0911900000e-01 -2.9954510000e+00  8.0475100000e-01 -1.5591900000e-01 -1.7950200000e+00  4.8448500000e-01
-ENERGY -1.526610154277e+02
-FORCES  2.3163000000e-03  1.1144000000e-03  3.9350000000e-04  1.0240000000e-04 -1.0496000000e-03  5.1070000000e-03 -2.3893000000e-03 -2.5439000000e-03 -3.6498000000e-03  3.0038000000e-03  1.1107800000e-02 -3.9633000000e-03 -2.3152000000e-03  1.4748000000e-03  4.2800000000e-05 -7.1800000000e-04 -1.0103500000e-02  2.0697000000e-03
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4397000000e-02  4.1652000000e-02 -9.5339500000e-01 -8.2286600000e-01 -3.9527800000e-01  2.8788800000e-01  2.3834560000e+00 -1.1563960000e+00  8.9757200000e-01  1.5647510000e+00 -7.7953700000e-01  5.7519100000e-01  3.0578200000e+00 -5.3423400000e-01  6.2484600000e-01
-ENERGY -1.526614058726e+02
-FORCES -1.4410000000e-03 -2.6641000000e-03 -9.8830000000e-04  3.8360000000e-04 -4.3320000000e-04  5.1222000000e-03  4.0381000000e-03  2.0495000000e-03 -2.5578000000e-03 -9.6877000000e-03  7.5861000000e-03 -4.0682000000e-03  9.0740000000e-03 -4.9422000000e-03  2.5492000000e-03 -2.3669000000e-03 -1.5962000000e-03 -5.7200000000e-05
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0408300000e-01 -3.8404600000e-01 -8.7057800000e-01  7.4749700000e-01 -4.6273200000e-01  3.7862700000e-01 -5.0528900000e-01 -2.2789000000e-01 -2.9153830000e+00 -1.3896060000e+00 -5.6959800000e-01 -3.0474850000e+00 -5.2945100000e-01  6.5215200000e-01 -3.2911150000e+00
-ENERGY -1.526611490824e+02
-FORCES  1.2919000000e-03 -2.5336000000e-03 -7.5452000000e-03  5.4420000000e-04 -7.1520000000e-04  1.0430500000e-02 -2.4406000000e-03  1.3228000000e-03 -2.0458000000e-03 -3.1844000000e-03  4.8927000000e-03 -2.7739000000e-03  4.4216000000e-03  1.6829000000e-03  1.4755000000e-03 -6.3270000000e-04 -4.6496000000e-03  4.5890000000e-04
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5014500000e-01 -6.1032000000e-02 -9.4337900000e-01  1.7660000000e-03  9.3954200000e-01  1.8300000000e-01 -1.4791400000e-01  2.5491300000e+00  7.6776800000e-01 -2.0724800000e-01  2.5214000000e+00  1.7227250000e+00 -7.8134100000e-01  3.2178200000e+00  5.0727700000e-01
-ENERGY -1.526600716861e+02
-FORCES -4.4380000000e-04  1.6074600000e-02  2.1500000000e-03 -9.1440000000e-04  1.7552000000e-03  2.4657000000e-03  1.6199000000e-03 -9.4783000000e-03 -9.9140000000e-04 -3.0588000000e-03 -6.3743000000e-03 -5.6620000000e-04 -4.6930000000e-04  6.4540000000e-04 -5.5446000000e-03  3.2664000000e-03 -2.6226000000e-03  2.4865000000e-03
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6137500000e-01 -1.6003600000e-01 -9.2982700000e-01  7.7439200000e-01  4.7630400000e-01  2.9947300000e-01 -1.0522200000e-01 -3.1185520000e+00  5.5077100000e-01 -3.6869200000e-01 -2.3239030000e+00  8.6714000000e-02 -7.9225200000e-01 -3.7535900000e+00  3.4841400000e-01
-ENERGY -1.526574601129e+02
-FORCES  6.0086000000e-03  3.8371000000e-03 -3.7440000000e-04 -1.7812000000e-03 -1.8925000000e-03  4.9954000000e-03 -3.6660000000e-03 -1.0223000000e-03 -2.2092000000e-03 -3.4737000000e-03  4.0852000000e-03 -1.0492000000e-03  4.2580000000e-04 -8.0051000000e-03 -1.7361000000e-03  2.4864000000e-03  2.9976000000e-03  3.7360000000e-04
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6050000000e-02 -8.8039500000e-01  3.7533800000e-01  6.9260000000e-01  4.5324800000e-01  4.8073300000e-01  1.4217500000e-01 -2.6709540000e+00  7.6484000000e-01  3.8227400000e-01 -2.5534950000e+00  1.6839630000e+00 -5.0435100000e-01 -3.3767530000e+00  7.7399800000e-01
-ENERGY -1.526588973938e+02
-FORCES  1.8898000000e-03 -1.1581600000e-02  2.5991000000e-03  9.8800000000e-04  1.0368300000e-02  1.8856000000e-03 -2.1362000000e-03 -2.8605000000e-03 -3.4040000000e-04 -2.8082000000e-03 -1.1916000000e-03  6.0650000000e-04 -1.9666000000e-03  2.2985000000e-03 -5.8758000000e-03  4.0333000000e-03  2.9670000000e-03  1.1250000000e-03
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3744100000e-01  4.0108400000e-01  2.3250000000e-01  6.4606200000e-01  4.7124600000e-01  5.2608300000e-01  9.9180000000e-03 -2.7077590000e+00  4.3674800000e-01  1.6592900000e-01 -2.6769440000e+00  1.3806460000e+00 -6.6130000000e-03 -1.7897550000e+00  1.6614200000e-01
-ENERGY -1.526599936646e+02
-FORCES -2.6840000000e-04 -1.6392000000e-03  3.4354000000e-03  5.0368000000e-03 -2.1022000000e-03 -2.4920000000e-04 -4.3133000000e-03 -2.3809000000e-03 -1.7963000000e-03  5.9500000000e-04  1.5415800000e-02 -3.2300000000e-04 -2.7200000000e-04  3.4750000000e-04 -2.2905000000e-03 -7.7800000000e-04 -9.6409000000e-03  1.2237000000e-03
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2700400000e-01 -2.5607000000e-02 -9.4839100000e-01  8.1357800000e-01  4.8980900000e-01  1.2004100000e-01 -1.9350600000e-01 -2.5388960000e+00  1.4767370000e+00 -1.0274650000e+00 -2.8997680000e+00  1.1758800000e+00 -1.2353500000e-01 -1.6938250000e+00  1.0326750000e+00
-ENERGY -1.526616490568e+02
-FORCES  2.9848000000e-03  1.8510000000e-03 -3.5026000000e-03  8.1150000000e-04  5.0480000000e-04  4.5838000000e-03 -4.0673000000e-03 -2.4998000000e-03 -1.3130000000e-03 -2.2760000000e-03  8.0962000000e-03 -5.5800000000e-03  2.5448000000e-03  1.0338000000e-03  3.7170000000e-04  2.1000000000e-06 -8.9860000000e-03  5.4401000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3421000000e-02 -9.5986000000e-02 -9.5026100000e-01  7.6357400000e-01 -5.2328600000e-01  2.4363500000e-01  1.0248000000e-02  2.6059100000e+00  1.2375980000e+00 -7.7569900000e-01  2.9464140000e+00  8.1030700000e-01 -2.6544000000e-02  1.6609030000e+00  1.0898130000e+00
-ENERGY -1.526601303071e+02
-FORCES  2.8252000000e-03  7.2570000000e-04 -4.0472000000e-03  5.3270000000e-04 -8.8340000000e-04  4.2840000000e-03 -3.7268000000e-03  3.0998000000e-03 -1.1630000000e-03 -3.2828000000e-03 -9.2155000000e-03 -6.2266000000e-03  2.3505000000e-03 -3.5730000000e-04  9.9010000000e-04  1.3012000000e-03  6.6307000000e-03  6.1626000000e-03
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8025000000e-02  6.9413000000e-02  9.5392200000e-01  8.4284600000e-01  3.4103900000e-01 -2.9922500000e-01  1.4771000000e-02 -2.4826170000e+00 -1.2298580000e+00 -8.3025800000e-01 -2.8651060000e+00 -9.9351100000e-01  2.0993000000e-02 -1.6286370000e+00 -7.9752600000e-01
-ENERGY -1.526608464508e+02
-FORCES  2.8267000000e-03 -1.1855000000e-03  1.7643000000e-03  1.7750000000e-04  5.7500000000e-05 -5.0575000000e-03 -4.6764000000e-03 -3.6512000000e-03  1.9050000000e-03 -3.7003000000e-03  1.1892700000e-02  7.0735000000e-03  2.3398000000e-03  1.1629000000e-03  2.5900000000e-05  3.0327000000e-03 -8.2763000000e-03 -5.7112000000e-03
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8866800000e-01 -9.0418400000e-01  2.5117200000e-01  9.1517000000e-02  8.4840000000e-03 -9.5277700000e-01  2.1605130000e+00  3.8631360000e+00 -3.7114700000e-01  3.0467150000e+00  4.2164170000e+00 -4.4907000000e-01  2.2745410000e+00  3.0261790000e+00  7.9111000000e-02
-ENERGY -1.526550518640e+02
-FORCES  9.2500000000e-05 -3.9238000000e-03 -3.2650000000e-03 -5.6520000000e-04  3.8629000000e-03 -1.0137000000e-03 -7.1000000000e-06 -3.0840000000e-04  4.2446000000e-03  3.4792000000e-03 -2.3348000000e-03  2.1510000000e-03 -3.5313000000e-03 -1.4702000000e-03  2.2250000000e-04  5.3180000000e-04  4.1744000000e-03 -2.3394000000e-03
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1355000000e-02  6.4644000000e-02  9.5411900000e-01  7.7156700000e-01 -5.1341400000e-01 -2.3942000000e-01  2.8350400000e-01  1.4511900000e-01  2.6476270000e+00  1.0910900000e+00 -1.9514800000e-01  3.0326650000e+00  2.9324800000e-01  1.0792840000e+00  2.8561280000e+00
-ENERGY -1.526587606665e+02
-FORCES  3.7132000000e-03 -1.4886000000e-03  1.8128300000e-02 -1.6757000000e-03  2.5623000000e-03 -9.0794000000e-03 -1.5376000000e-03  1.2609000000e-03  1.4223000000e-03  2.7864000000e-03  6.7480000000e-04 -6.2148000000e-03 -3.8939000000e-03  2.6487000000e-03 -2.0524000000e-03  6.0750000000e-04 -5.6581000000e-03 -2.2041000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6706800000e-01  1.6706100000e-01 -9.2758300000e-01 -2.1514300000e-01  8.5892000000e-01  3.6359500000e-01  2.2363120000e+00 -1.3854810000e+00  1.0357010000e+00  1.5776340000e+00 -8.5248700000e-01  5.9040000000e-01  2.0482390000e+00 -1.2706600000e+00  1.9671920000e+00
-ENERGY -1.526603385823e+02
-FORCES -1.7430000000e-04  3.0164000000e-03 -9.8440000000e-04  5.1920000000e-04 -8.4270000000e-04  5.8925000000e-03  1.3275000000e-03 -4.4832000000e-03 -2.0446000000e-03 -1.1803900000e-02  6.2197000000e-03 -1.3577000000e-03  9.2790000000e-03 -3.9604000000e-03  7.9200000000e-04  8.5250000000e-04  5.0300000000e-05 -2.2978000000e-03
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7908300000e-01  1.6937300000e-01 -8.9981000000e-01  1.6467500000e-01 -9.4254700000e-01  2.6801000000e-02  1.0597400000e-01 -2.6200820000e+00  3.9644500000e-01  1.9505700000e-01 -3.0117650000e+00  1.2652840000e+00  8.2328300000e-01 -2.9984100000e+00 -1.1205000000e-01
-ENERGY -1.526584432001e+02
-FORCES -1.2871000000e-03 -1.6645500000e-02  2.1136000000e-03  1.4205000000e-03 -2.4507000000e-03  2.2774000000e-03  2.7330000000e-03  8.3384000000e-03 -4.9151000000e-03  5.2210000000e-04  5.8628000000e-03  3.3000000000e-03  4.4460000000e-04  4.0670000000e-04 -5.3726000000e-03 -3.8330000000e-03  4.4883000000e-03  2.5968000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3234600000e-01  5.0209100000e-01 -3.5749800000e-01  7.5716100000e-01  5.7743200000e-01 -9.7525000000e-02  2.0322330000e+00  1.2969870000e+00 -6.9018600000e-01  2.1093190000e+00  1.4012280000e+00 -1.6385650000e+00  2.2553180000e+00  2.1575010000e+00 -3.3525000000e-01
-ENERGY -1.526544955100e+02
-FORCES  2.0334600000e-02  1.4710000000e-02 -7.4368000000e-03  3.2190000000e-03 -1.2890000000e-04 -6.9700000000e-05 -5.2131000000e-03 -2.1249000000e-03  3.4555000000e-03 -1.5563800000e-02 -9.4944000000e-03  1.3088000000e-03  2.5120000000e-04  1.8438000000e-03  5.5199000000e-03 -3.0279000000e-03 -4.8057000000e-03 -2.7777000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8947100000e-01  2.0833400000e-01  9.1483800000e-01 -7.7286600000e-01 -4.7681500000e-01 -3.0258300000e-01  2.1730000000e-01  2.2934400000e-01  2.7390200000e+00 -5.7827600000e-01 -1.9276900000e-01  3.0632290000e+00  6.0917000000e-02  1.1652140000e+00  2.8652110000e+00
-ENERGY -1.526567908378e+02
-FORCES  5.2710000000e-04 -5.7260000000e-04  1.2882500000e-02 -5.1221000000e-03  2.0316000000e-03 -9.3127000000e-03  2.1736000000e-03  1.4663000000e-03  3.1794000000e-03 -6.7340000000e-04  3.3560000000e-04  1.9968000000e-03  3.5439000000e-03  2.8496000000e-03 -4.9649000000e-03 -4.4910000000e-04 -6.1106000000e-03 -3.7810000000e-03
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2374500000e-01  1.3070700000e-01  9.2145800000e-01  7.9227700000e-01  2.4742400000e-01 -4.7677000000e-01  2.0142500000e-01 -2.6938070000e+00 -7.9600200000e-01 -1.0635700000e-01 -1.8435920000e+00 -4.8193500000e-01 -5.7219400000e-01 -3.2564890000e+00 -7.6231800000e-01
-ENERGY -1.526619261848e+02
-FORCES  5.4426000000e-03  7.1150000000e-04  1.0371000000e-03 -8.7810000000e-04 -8.1580000000e-04 -4.7695000000e-03 -4.3019000000e-03 -1.5981000000e-03  3.1999000000e-03 -3.8076000000e-03  9.4764000000e-03  3.2045000000e-03  1.6773000000e-03 -1.0742900000e-02 -3.4377000000e-03  1.8678000000e-03  2.9689000000e-03  7.6570000000e-04
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6609000000e-02 -4.7377000000e-02 -9.5434900000e-01 -9.0060000000e-02  9.3177500000e-01  1.9979000000e-01 -2.6565250000e+00 -1.3056720000e+00  5.5901200000e-01 -3.4395890000e+00 -9.4500700000e-01  1.4312300000e-01 -1.9886370000e+00 -6.3051900000e-01  4.3932000000e-01
-ENERGY -1.526586475002e+02
-FORCES  4.3650000000e-03  2.5772000000e-03 -4.2806000000e-03 -1.1405000000e-03  9.6140000000e-04  5.3815000000e-03 -2.1179000000e-03 -5.5851000000e-03 -1.0055000000e-03  5.2140000000e-03  4.5628000000e-03 -1.4291000000e-03  3.8533000000e-03 -4.9290000000e-04  8.7370000000e-04 -1.0174000000e-02 -2.0234000000e-03  4.6010000000e-04
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3520000000e-02 -9.2025300000e-01  2.6302600000e-01  8.2156800000e-01  3.3911300000e-01  3.5533200000e-01 -2.5342880000e+00  1.0364740000e+00  8.8187900000e-01 -1.7051360000e+00  7.4479700000e-01  5.0284900000e-01 -2.6322820000e+00  1.9391630000e+00  5.7892300000e-01
-ENERGY -1.526618634700e+02
-FORCES  2.7456000000e-03 -1.8799000000e-03  3.4116000000e-03  3.1730000000e-04  5.1848000000e-03 -9.3590000000e-04 -3.6176000000e-03 -2.3149000000e-03 -1.8694000000e-03  9.4348000000e-03 -1.0217000000e-03 -4.9429000000e-03 -9.9745000000e-03  2.6090000000e-03  3.3937000000e-03  1.0945000000e-03 -2.5772000000e-03  9.4290000000e-04
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6087900000e-01  5.1865900000e-01 -2.6131900000e-01  7.5287100000e-01  5.3610200000e-01 -2.4902100000e-01  2.5638030000e+00  1.2470660000e+00 -9.0920500000e-01  2.4171350000e+00  1.2501380000e+00 -1.8550960000e+00  2.4839250000e+00  2.1653100000e+00 -6.5098100000e-01
-ENERGY -1.526597800714e+02
-FORCES  6.2090000000e-03  4.6985000000e-03 -2.6236000000e-03  3.5315000000e-03 -9.9340000000e-04  2.9450000000e-04 -1.0742900000e-02 -2.1806000000e-03  2.2332000000e-03  3.5635000000e-03  3.5410000000e-03 -4.2516000000e-03 -6.6310000000e-04  4.8830000000e-04  5.6478000000e-03 -1.8981000000e-03 -5.5539000000e-03 -1.3004000000e-03
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0185000000e-02 -1.9372100000e-01  9.3476100000e-01  7.9739800000e-01  4.8848200000e-01 -2.0438600000e-01 -7.0619000000e-02 -2.5454190000e+00 -8.4429500000e-01  8.6658800000e-01 -2.6301820000e+00 -6.6910600000e-01 -3.1307100000e-01 -1.7063850000e+00 -4.5254100000e-01
-ENERGY -1.526559131022e+02
-FORCES  4.7397000000e-03 -4.8227000000e-03 -3.1554000000e-03 -8.4900000000e-05 -2.4883000000e-03 -6.9111000000e-03 -3.5819000000e-03 -2.3488000000e-03  2.7462000000e-03  3.4897000000e-03  1.7388100000e-02  3.9606000000e-03 -1.9360000000e-03 -1.5800000000e-04 -1.5420000000e-04 -2.6266000000e-03 -7.5704000000e-03  3.5138000000e-03
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9639200000e-01  3.0400300000e-01 -1.4246400000e-01  1.9002300000e-01  2.3080100000e-01  9.0931500000e-01  3.4474900000e-01  3.7930700000e-01  2.6607190000e+00  2.7211700000e-01 -5.2565800000e-01  2.9640270000e+00  1.1945460000e+00  6.7453400000e-01  2.9877010000e+00
-ENERGY -1.526609607761e+02
-FORCES  6.5700000000e-05  4.6882000000e-03  1.5293300000e-02  2.3198000000e-03 -1.0733000000e-03  1.1453000000e-03 -6.1520000000e-04 -3.1878000000e-03 -9.8299000000e-03  1.5847000000e-03 -3.1875000000e-03 -2.4944000000e-03  1.0448000000e-03  5.3196000000e-03 -2.1114000000e-03 -4.3998000000e-03 -2.5593000000e-03 -2.0030000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2412500000e-01  7.6399000000e-02  9.4603800000e-01  8.2823800000e-01 -3.5502600000e-01 -3.2281700000e-01  6.9086000000e-02  2.7044660000e+00 -7.3485400000e-01 -6.6536100000e-01  3.2937460000e+00 -5.6289600000e-01 -1.5330700000e-01  1.9004760000e+00 -2.6541500000e-01
-ENERGY -1.526594356831e+02
-FORCES  5.8867000000e-03 -1.2224000000e-03 -1.3290000000e-03 -1.1731000000e-03  3.0513000000e-03 -5.8753000000e-03 -4.2723000000e-03  8.5460000000e-04  2.8537000000e-03 -2.7963000000e-03 -1.0015000000e-02  1.8905000000e-03  1.9653000000e-03 -3.5292000000e-03  5.3600000000e-04  3.8970000000e-04  1.0860600000e-02  1.9240000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5800000000e-03 -1.9027000000e-01  9.3808700000e-01 -1.8593400000e-01  9.3742300000e-01 -5.3833000000e-02 -2.0832190000e+00 -1.3877060000e+00 -1.0348420000e+00 -2.0091740000e+00 -1.4524610000e+00 -1.9869740000e+00 -1.4095860000e+00 -7.5555000000e-01 -7.8418400000e-01
-ENERGY -1.526599434365e+02
-FORCES -2.9511000000e-03 -2.1326000000e-03  3.3351000000e-03 -1.0490000000e-04  2.3404000000e-03 -5.1157000000e-03 -1.0592000000e-03 -6.2818000000e-03 -5.7890000000e-04  1.3155400000e-02  6.9326000000e-03  3.7184000000e-03  7.8890000000e-04  1.4894000000e-03  2.9508000000e-03 -9.8291000000e-03 -2.3480000000e-03 -4.3097000000e-03
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2235000000e-01  4.2520700000e-01 -2.4325100000e-01  6.7936500000e-01  5.5248900000e-01 -3.8658800000e-01  2.0567710000e+00  1.4936180000e+00 -9.5603500000e-01  1.9092220000e+00  1.4947600000e+00 -1.9017940000e+00  2.0966720000e+00  2.4199540000e+00 -7.1825100000e-01
-ENERGY -1.526593994602e+02
-FORCES  1.0675900000e-02  9.6238000000e-03 -4.7694000000e-03  3.5070000000e-03 -7.0700000000e-05 -1.9060000000e-04 -9.3838000000e-03 -5.9305000000e-03  4.5410000000e-04 -2.3762000000e-03  1.2239000000e-03  5.9270000000e-04 -1.6117000000e-03 -3.0000000000e-06  6.3790000000e-03 -8.1130000000e-04 -4.8434000000e-03 -2.4658000000e-03
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2225800000e-01  2.3780400000e-01 -9.1909400000e-01  7.2724200000e-01 -5.9148600000e-01  1.9363500000e-01  1.5921800000e-01  4.1199800000e-01 -2.9882660000e+00 -5.7779800000e-01 -1.8575900000e-01 -3.1136670000e+00  9.0011000000e-01 -3.0271000000e-02 -3.4026440000e+00
-ENERGY -1.526607620502e+02
-FORCES  3.9382000000e-03  1.0259000000e-03 -7.9677000000e-03 -2.1542000000e-03 -3.3416000000e-03  9.7751000000e-03 -2.3279000000e-03  1.6368000000e-03 -1.0802000000e-03 -4.0260000000e-04 -3.8287000000e-03 -5.3305000000e-03  4.7466000000e-03  2.9078000000e-03  1.9092000000e-03 -3.8002000000e-03  1.5999000000e-03  2.6941000000e-03
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0833800000e-01  4.3793300000e-01  2.6652700000e-01  7.3681000000e-02 -8.8216000000e-01  3.6413800000e-01 -9.8660000000e-03 -2.4142310000e+00  9.3111500000e-01 -6.6899400000e-01 -3.0835770000e+00  7.4738200000e-01  8.1860500000e-01 -2.8931310000e+00  9.5396000000e-01
-ENERGY -1.526575367166e+02
-FORCES -1.3360000000e-04 -1.8092600000e-02  7.8463000000e-03 -1.3731000000e-03 -3.6251000000e-03 -3.1000000000e-06  2.5753000000e-03  7.6567000000e-03 -2.2258000000e-03 -1.4450000000e-03  9.6993000000e-03 -6.8006000000e-03  4.9926000000e-03  1.7021000000e-03  1.5566000000e-03 -4.6162000000e-03  2.6597000000e-03 -3.7330000000e-04
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7503700000e-01  6.7647000000e-02  9.3862600000e-01  2.4631100000e-01  8.5524500000e-01 -3.5230600000e-01  4.9069800000e-01  2.4678750000e+00 -1.0880870000e+00 -2.8017200000e-01  2.9240970000e+00 -7.5066700000e-01  1.2008730000e+00  3.1045460000e+00 -1.0072570000e+00
-ENERGY -1.526601287419e+02
-FORCES  4.9851000000e-03  1.1987800000e-02 -3.8185000000e-03 -5.2130000000e-04  1.0274000000e-03 -2.8795000000e-03 -5.1814000000e-03 -7.5082000000e-03  4.9021000000e-03  1.9650000000e-04 -3.1800000000e-05  2.1084000000e-03  5.1801000000e-03 -3.3501000000e-03 -3.8100000000e-04 -4.6591000000e-03 -2.1251000000e-03  6.8600000000e-05
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2984800000e-01 -3.9094200000e-01  2.7340200000e-01 -7.6690000000e-03  8.7508600000e-01  3.8781000000e-01  4.2123760000e+00  3.7058400000e-01 -2.6220900000e-01  3.6187750000e+00 -1.2353300000e-01  3.0322700000e-01  4.3188270000e+00  1.2130730000e+00  1.7950600000e-01
-ENERGY -1.526545816377e+02
-FORCES -4.3723000000e-03  2.1199000000e-03  1.9056000000e-03  3.5582000000e-03  1.7027000000e-03 -1.0745000000e-03  4.6920000000e-04 -3.8302000000e-03 -1.1324000000e-03 -2.9757000000e-03  7.3400000000e-04  3.6936000000e-03  3.7908000000e-03  2.4177000000e-03 -1.7014000000e-03 -4.7020000000e-04 -3.1441000000e-03 -1.6910000000e-03
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0878400000e-01 -1.7050900000e-01 -9.3558800000e-01 -8.4802000000e-01  3.4322800000e-01  2.8158100000e-01  2.1995260000e+00  1.0743700000e+00  1.1173730000e+00  1.4601060000e+00  6.3729100000e-01  6.9493800000e-01  2.9718780000e+00  6.2496300000e-01  7.7424300000e-01
-ENERGY -1.526602552896e+02
-FORCES  3.0162000000e-03  4.7295000000e-03  1.2526000000e-03 -3.4440000000e-04  8.1460000000e-04  4.7923000000e-03  3.7553000000e-03 -2.1937000000e-03 -2.9444000000e-03 -1.1306800000e-02 -7.5106000000e-03 -6.9283000000e-03  7.9587000000e-03  3.4831000000e-03  4.1145000000e-03 -3.0790000000e-03  6.7700000000e-04 -2.8670000000e-04
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7804100000e-01  4.8855400000e-01 -2.6869800000e-01 -1.2947800000e-01 -8.7612200000e-01 -3.6315000000e-01 -3.0639600000e-01 -2.5283760000e+00 -1.3023630000e+00 -2.8217400000e-01 -2.3890270000e+00 -2.2490560000e+00 -1.0065410000e+00 -3.1678850000e+00 -1.1717590000e+00
-ENERGY -1.526612661383e+02
-FORCES -3.5447000000e-03 -9.1964000000e-03 -5.0299000000e-03  2.1671000000e-03 -1.7673000000e-03  2.9190000000e-04  1.2290000000e-03  9.6615000000e-03  3.8791000000e-03 -1.8048000000e-03 -1.2679000000e-03 -2.3685000000e-03 -1.2527000000e-03 -7.5200000000e-04  5.0178000000e-03  3.2061000000e-03  3.3221000000e-03 -1.7903000000e-03
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0827100000e-01  5.3436800000e-01 -3.5921400000e-01  7.9226600000e-01  5.1288800000e-01 -1.5966200000e-01 -2.0716100000e+00  1.1124710000e+00 -1.2433240000e+00 -2.0250230000e+00  1.1235860000e+00 -2.1993250000e+00 -2.8268710000e+00  5.5840800000e-01 -1.0462820000e+00
-ENERGY -1.526597653435e+02
-FORCES -1.1987100000e-02  9.0677000000e-03 -8.1044000000e-03  6.9755000000e-03 -4.3763000000e-03  5.8034000000e-03 -3.1600000000e-03 -6.6010000000e-04 -1.0061000000e-03  5.0095000000e-03 -6.8152000000e-03  3.6670000000e-04 -1.1854000000e-03 -6.5600000000e-05  4.7465000000e-03  4.3475000000e-03  2.8495000000e-03 -1.8059000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9822200000e-01  6.0901100000e-01 -2.4046700000e-01  8.0841700000e-01  4.6210100000e-01 -2.2171200000e-01  3.6454000000e-02  2.7763300000e-01  2.9597660000e+00 -2.1945000000e-02  1.4825600000e-01  2.0131490000e+00  3.1243500000e-01 -5.7277300000e-01  3.3016370000e+00
-ENERGY -1.526618687263e+02
-FORCES  6.6090000000e-04  4.0873000000e-03 -4.8770000000e-03  4.1597000000e-03 -2.9016000000e-03  2.4040000000e-03 -4.5794000000e-03 -2.2345000000e-03  1.9789000000e-03  2.0620000000e-04 -4.8343000000e-03 -8.6999000000e-03  1.1420000000e-04  3.1952000000e-03  1.0394300000e-02 -5.6150000000e-04  2.6879000000e-03 -1.2003000000e-03
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7364700000e-01 -1.1599800000e-01 -9.3414300000e-01 -7.6899600000e-01 -3.6872700000e-01  4.3464600000e-01 -2.4424600000e-01 -3.4289000000e-01 -2.8349690000e+00 -9.0791200000e-01 -8.6999200000e-01 -3.2798760000e+00  5.8978100000e-01 -6.9117300000e-01 -3.1501360000e+00
-ENERGY -1.526614589063e+02
-FORCES -3.7451000000e-03 -1.8184000000e-03 -9.9364000000e-03  1.8150000000e-03  7.2960000000e-04  1.0641000000e-02  1.9587000000e-03  8.0250000000e-04 -2.0318000000e-03  1.2177000000e-03 -3.1314000000e-03 -2.0844000000e-03  3.6806000000e-03  2.1259000000e-03  2.0590000000e-03 -4.9269000000e-03  1.2918000000e-03  1.3526000000e-03
-
-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.6208000000e-02 -1.7150000000e-02  9.5219800000e-01 -1.0057300000e-01 -9.1912500000e-01 -2.4764000000e-01 -2.9008200000e-01 -2.3589410000e+00 -1.0353130000e+00  5.9717000000e-02 -2.2458670000e+00 -1.9191050000e+00  3.8529400000e-01 -2.8537960000e+00 -5.7139600000e-01
-ENERGY -1.526568714851e+02
-FORCES -4.5681000000e-03 -1.9110600000e-02 -7.7374000000e-03  5.9000000000e-06 -3.2667000000e-03 -3.3022000000e-03  5.3660000000e-03  7.6215000000e-03  5.8508000000e-03  4.1114000000e-03  9.3735000000e-03  2.9620000000e-04 -1.3072000000e-03 -1.0028000000e-03  5.8448000000e-03 -3.6080000000e-03  6.3851000000e-03 -9.5230000000e-04
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9503300000e-01 -1.4994000000e-02  9.3700000000e-01 -7.2956500000e-01 -4.6938700000e-01 -4.0452800000e-01  2.2125650000e+00 -1.0977460000e+00 -6.1637000000e-01  2.4686780000e+00 -1.0041220000e+00 -1.5339070000e+00  1.4383210000e+00 -5.4230700000e-01 -5.2544900000e-01
-ENERGY -1.526571088058e+02
-FORCES  1.2299200000e-02 -1.0034800000e-02 -8.5700000000e-04 -8.8280000000e-04 -3.2860000000e-04 -5.3104000000e-03  3.8027000000e-03  2.5362000000e-03  2.4638000000e-03 -1.8377300000e-02  1.0547600000e-02  5.5613000000e-03 -4.0024000000e-03  8.6660000000e-04  2.3970000000e-03  7.1607000000e-03 -3.5869000000e-03 -4.2546000000e-03
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4404500000e-01  1.5630400000e-01 -8.7945100000e-01 -6.9165100000e-01 -4.8999800000e-01  4.4469300000e-01 -2.1707840000e+00 -1.5777370000e+00  7.9247700000e-01 -3.0598980000e+00 -1.2456650000e+00  6.6823800000e-01 -2.2407720000e+00 -2.5182040000e+00  6.2860100000e-01
-ENERGY -1.526605267306e+02
-FORCES -1.0993900000e-02 -7.2946000000e-03  1.0757000000e-03  1.0293000000e-03  6.7200000000e-05  2.0162000000e-03  6.6925000000e-03  5.5997000000e-03 -1.2344000000e-03  3.3130000000e-04 -6.5590000000e-04 -2.1930000000e-03  4.2871000000e-03 -2.4377000000e-03 -2.2370000000e-04 -1.3462000000e-03  4.7214000000e-03  5.5910000000e-04
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8868600000e-01 -1.0359200000e-01 -9.3268300000e-01  1.5206300000e-01 -8.6811400000e-01  3.7347900000e-01  3.3656400000e-01 -8.9800000000e-04 -2.5199040000e+00 -4.1670800000e-01  5.0903600000e-01 -2.8178640000e+00  1.0965870000e+00  4.7925700000e-01 -2.8486100000e+00
-ENERGY -1.526577663432e+02
-FORCES  4.0173000000e-03 -1.4274000000e-03 -2.3379000000e-02 -2.7429000000e-03  5.7510000000e-04  8.8286000000e-03  3.7770000000e-04  1.7978000000e-03 -3.4567000000e-03 -1.9963000000e-03  3.2787000000e-03  1.4459600000e-02  5.3213000000e-03 -2.2651000000e-03  1.9713000000e-03 -4.9771000000e-03 -1.9591000000e-03  1.5762000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9860700000e-01  1.7352400000e-01  8.5278000000e-01  4.8282000000e-01  5.5900000000e-01 -6.0879800000e-01  2.0852910000e+00  1.4016700000e+00 -1.1840650000e+00  2.2251760000e+00  1.3807230000e+00 -2.1307570000e+00  2.2424900000e+00  2.3133440000e+00 -9.3835900000e-01
-ENERGY -1.526594730173e+02
-FORCES  1.2522500000e-02  7.1239000000e-03 -3.1687000000e-03 -2.0476000000e-03 -3.7470000000e-04 -1.3082000000e-03 -7.8614000000e-03 -3.5496000000e-03  1.1724000000e-03 -4.5500000000e-05  1.1113000000e-03 -6.0090000000e-04 -1.6399000000e-03  6.6160000000e-04  5.1883000000e-03 -9.2810000000e-04 -4.9726000000e-03 -1.2829000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5532200000e-01 -5.5551800000e-01 -1.9266700000e-01  7.5515600000e-01 -5.8062300000e-01 -9.4068000000e-02 -2.0723310000e+00 -3.6074310000e+00 -3.2793000000e-02 -2.9355830000e+00 -3.9652560000e+00 -2.4013100000e-01 -1.4570130000e+00 -4.2777960000e+00 -3.2982300000e-01
-ENERGY -1.526562825757e+02
-FORCES -9.9500000000e-04 -5.6774000000e-03 -7.1860000000e-04  3.8672000000e-03  4.0652000000e-03  2.6960000000e-04 -2.3408000000e-03  2.4831000000e-03  1.9520000000e-04 -1.9196000000e-03 -5.3650000000e-03 -1.6382000000e-03  3.7803000000e-03  1.3500000000e-03  7.8630000000e-04 -2.3921000000e-03  3.1441000000e-03  1.1058000000e-03
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3547900000e-01 -2.7632000000e-01  3.7663400000e-01 -8.5518000000e-02  9.1892500000e-01  2.5396000000e-01  2.1408200000e-01  2.4736670000e+00  8.5290900000e-01  1.2679500000e-01  2.5799390000e+00  1.8001780000e+00 -5.4043400000e-01  2.9367580000e+00  4.8892700000e-01
-ENERGY -1.526572071851e+02
-FORCES  5.6448000000e-03  1.9426900000e-02  7.8701000000e-03 -2.1164000000e-03  2.1500000000e-05 -2.1730000000e-04 -5.3978000000e-03 -5.5111000000e-03 -4.3823000000e-03 -2.0700000000e-03 -7.5452000000e-03  8.5900000000e-05  2.4800000000e-04 -5.1460000000e-04 -5.5562000000e-03  3.6914000000e-03 -5.8775000000e-03  2.1998000000e-03
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4625900000e-01 -3.5888700000e-01  2.6698000000e-01  6.4418700000e-01 -6.0335500000e-01  3.7042900000e-01 -3.6441800000e-01 -5.2603000000e-02 -2.7398520000e+00 -2.0701000000e-01 -2.8839000000e-02 -1.7959820000e+00 -1.1199960000e+00 -6.3119200000e-01 -2.8426540000e+00
-ENERGY -1.526595321748e+02
-FORCES -2.4000000000e-06 -3.2606000000e-03  1.9400000000e-05  4.7615000000e-03  9.3890000000e-04 -3.9191000000e-03 -4.3690000000e-03  2.7687000000e-03 -1.7870000000e-03  1.3153000000e-03 -4.2070000000e-04  1.3929600000e-02 -3.7400000000e-03 -1.6329000000e-03 -1.0228000000e-02  2.0346000000e-03  1.6066000000e-03  1.9852000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0631500000e-01 -8.0375200000e-01 -5.0883300000e-01 -2.9500600000e-01 -2.3254000000e-01  8.8041400000e-01 -4.3746000000e-02 -1.5828200000e-01  2.6477770000e+00 -7.7728800000e-01  3.9114500000e-01  2.9239580000e+00 -2.2325000000e-02 -8.6958200000e-01  3.2879530000e+00
-ENERGY -1.526575263638e+02
-FORCES  5.9550000000e-04 -3.4007000000e-03  1.4398600000e-02  3.5920000000e-04  1.6477000000e-03  3.3753000000e-03 -4.1194000000e-03  2.2673000000e-03 -8.6785000000e-03  3.5070000000e-04 -4.8400000000e-05 -2.3280000000e-03  3.4831000000e-03 -4.4883000000e-03 -3.5118000000e-03 -6.6910000000e-04  4.0224000000e-03 -3.2556000000e-03
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8180000000e-03 -2.7953100000e-01 -9.1547100000e-01 -8.4942700000e-01  4.2339600000e-01  1.2426100000e-01  2.2546040000e+00  1.1647930000e+00  1.2009130000e+00  2.1737610000e+00  1.0202400000e+00  2.1436750000e+00  1.4118490000e+00  8.8656900000e-01  8.4232300000e-01
-ENERGY -1.526610860048e+02
-FORCES  4.1300000000e-04  3.6130000000e-04 -3.4008000000e-03 -1.7733000000e-03  1.4876000000e-03  4.4857000000e-03  4.8456000000e-03 -1.8481000000e-03 -5.3510000000e-04 -9.5865000000e-03 -6.2106000000e-03 -3.0660000000e-03 -7.4010000000e-04  4.7200000000e-04 -2.8790000000e-03  6.8413000000e-03  5.7379000000e-03  5.3952000000e-03
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3427300000e-01  5.1514900000e-01 -3.3421200000e-01 -7.8215000000e-02 -8.4486300000e-01 -4.4308100000e-01  3.1126800000e-01 -6.5281000000e-02  2.9760670000e+00  1.8879600000e-01 -2.0888600000e-01  2.0376590000e+00  1.0357650000e+00  5.5787600000e-01  3.0309440000e+00
-ENERGY -1.526617146541e+02
-FORCES -3.6857000000e-03  2.1500000000e-05 -4.2672000000e-03  3.6621000000e-03 -3.0368000000e-03  8.7040000000e-04 -9.9300000000e-05  4.2672000000e-03  2.7021000000e-03  1.7309000000e-03  2.2529000000e-03 -9.5467000000e-03  6.0870000000e-04 -1.8018000000e-03  9.7894000000e-03 -2.2167000000e-03 -1.7030000000e-03  4.5190000000e-04
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8062000000e-01  5.5369900000e-01 -3.8263100000e-01  8.2218400000e-01  4.0076000000e-01 -2.8220100000e-01 -2.0333610000e+00  1.4393060000e+00 -8.0263000000e-01 -2.0639340000e+00  1.4086580000e+00 -1.7588510000e+00 -2.8600340000e+00  1.0457990000e+00 -5.2335400000e-01
-ENERGY -1.526585112678e+02
-FORCES -1.4372100000e-02  1.2351000000e-02 -5.0435000000e-03  8.4265000000e-03 -6.2121000000e-03 -8.6800000000e-05 -3.7939000000e-03  1.8030000000e-04 -7.9460000000e-04  3.6389000000e-03 -7.4322000000e-03  2.8808000000e-03  1.7287000000e-03 -1.1517000000e-03  5.9744000000e-03  4.3719000000e-03  2.2647000000e-03 -2.9304000000e-03
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0674000000e-02 -9.3918000000e-01 -1.7777800000e-01  8.3119500000e-01  2.7322600000e-01 -3.8819400000e-01  1.7615200000e-01 -2.5614830000e+00 -9.4517600000e-01 -2.0421100000e-01 -2.6593970000e+00 -1.8180840000e+00  9.9383900000e-01 -3.0576850000e+00 -9.8265600000e-01
-ENERGY -1.526598858525e+02
-FORCES  3.8240000000e-03 -1.3655100000e-02 -5.9933000000e-03 -2.3094000000e-03  7.6441000000e-03  3.1120000000e-03 -1.8293000000e-03 -2.6840000000e-04  9.8520000000e-04  1.3173000000e-03  3.7576000000e-03 -1.0185000000e-03  3.0577000000e-03 -1.7500000000e-05  4.2332000000e-03 -4.0602000000e-03  2.5393000000e-03 -1.3186000000e-03
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0210500000e-01 -5.5914000000e-02  9.5009500000e-01 -7.1325100000e-01  5.7130300000e-01 -2.8481200000e-01  2.6914010000e+00  1.1002920000e+00 -8.5587200000e-01  1.8443160000e+00  6.8785400000e-01 -6.8683100000e-01  2.5949170000e+00  1.9922170000e+00 -5.2211700000e-01
-ENERGY -1.526609698750e+02
-FORCES -4.6139000000e-03  6.1430000000e-04  3.7045000000e-03 -1.0080000000e-04  9.8620000000e-04 -4.8018000000e-03  4.1309000000e-03 -2.1645000000e-03  1.9123000000e-03 -8.3702000000e-03 -1.1485000000e-03  3.4012000000e-03  8.7580000000e-03  4.2980000000e-03 -3.2431000000e-03  1.9600000000e-04 -2.5855000000e-03 -9.7310000000e-04
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4720000000e-01  4.8401800000e-01 -3.5164000000e-01  7.6605800000e-01  4.4223600000e-01 -3.6580700000e-01  3.2153000000e-02 -2.8218190000e+00 -8.1437800000e-01  8.5373200000e-01 -3.2491370000e+00 -5.7222300000e-01  4.6581000000e-02 -1.9891180000e+00 -3.4253800000e-01
-ENERGY -1.526613557761e+02
-FORCES -6.8810000000e-04  3.7573000000e-03 -4.4228000000e-03  4.1695000000e-03 -1.4788000000e-03  1.6580000000e-03 -3.6957000000e-03 -2.0304000000e-03  1.8581000000e-03  1.6491000000e-03  7.7561000000e-03  4.3876000000e-03 -2.1672000000e-03  2.3408000000e-03 -7.8170000000e-04  7.3250000000e-04 -1.0345000000e-02 -2.6993000000e-03
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4505000000e-02  1.1740100000e-01 -9.4965700000e-01  7.6281000000e-02  8.8777300000e-01  3.4967600000e-01  2.1538200000e-01  2.5813020000e+00  6.2991800000e-01 -6.3949100000e-01  3.0024860000e+00  5.4031000000e-01  8.4067500000e-01  3.2413940000e+00  3.3072100000e-01
-ENERGY -1.526588490624e+02
-FORCES  2.8201000000e-03  1.7273700000e-02  1.3968000000e-03 -1.3530000000e-04 -1.4960000000e-04  2.1120000000e-03 -3.5381000000e-03 -7.2980000000e-03 -3.1710000000e-04  4.7170000000e-04 -5.6759000000e-03 -3.6498000000e-03  5.1229000000e-03 -2.2558000000e-03 -5.8440000000e-04 -4.7412000000e-03 -1.8944000000e-03  1.0425000000e-03
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9177800000e-01  2.5973600000e-01 -4.7101700000e-01  1.7874100000e-01 -8.9002300000e-01 -3.0355200000e-01 -2.2536340000e+00  1.2111270000e+00 -7.8256800000e-01 -2.3630640000e+00  1.0261900000e+00 -1.7153350000e+00 -2.9533360000e+00  7.1636800000e-01 -3.5611300000e-01
-ENERGY -1.526574748160e+02
-FORCES -1.2564900000e-02  7.0304000000e-03 -4.6960000000e-03  7.9357000000e-03 -8.2605000000e-03 -7.6700000000e-05 -3.2743000000e-03  3.5272000000e-03 -3.2760000000e-04 -3.0600000000e-04 -2.0094000000e-03  2.0526000000e-03  3.2330000000e-03 -1.7977000000e-03  6.4458000000e-03  4.9764000000e-03  1.5100000000e-03 -3.3981000000e-03
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4463500000e-01 -8.8322900000e-01 -2.7621100000e-01  8.4430000000e-01  1.5829700000e-01 -4.2229300000e-01 -1.6780500000e-01  2.8795400000e-01  2.6540890000e+00 -2.0309100000e-01  2.1391300000e-01  1.7004100000e+00 -9.5484000000e-01  7.8102300000e-01  2.8858010000e+00
-ENERGY -1.526607163844e+02
-FORCES  3.0720000000e-03 -9.8070000000e-04  5.6014000000e-03  1.8758000000e-03  4.8133000000e-03  1.5214000000e-03 -4.6906000000e-03 -2.0970000000e-03  9.9750000000e-04  3.0800000000e-05 -1.0080000000e-04 -1.5935100000e-02 -2.1767000000e-03 -1.4400000000e-05  1.0121600000e-02  1.8887000000e-03 -1.6204000000e-03 -2.3067000000e-03
-
-JOB 180
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4301600000e-01  4.0266700000e-01  2.0836400000e-01 -8.3915000000e-02 -9.0364500000e-01  3.0432700000e-01  9.1000000000e-05 -2.6343540000e+00  8.7297600000e-01  6.3148000000e-02 -2.5663870000e+00  1.8256760000e+00  8.6808200000e-01 -2.9271230000e+00  5.9529200000e-01
-ENERGY -1.526611641567e+02
-FORCES -3.1286000000e-03 -1.2816900000e-02  3.7163000000e-03  2.3713000000e-03 -2.1720000000e-03  4.2410000000e-04  1.5979000000e-03  1.1131500000e-02 -2.1098000000e-03  4.2789000000e-03  5.0940000000e-04  1.4806000000e-03 -3.0900000000e-04  8.5880000000e-04 -5.6108000000e-03 -4.8105000000e-03  2.4892000000e-03  2.0997000000e-03
-
-JOB 181
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5184000000e-02 -7.8429000000e-02 -9.5333300000e-01  1.9062400000e-01  9.2209700000e-01  1.7213700000e-01  6.7552100000e-01  2.6430200000e+00  5.6674900000e-01  7.0137900000e-01  2.6886410000e+00  1.5225110000e+00  1.5103570000e+00  3.0177450000e+00  2.8592800000e-01
-ENERGY -1.526611698536e+02
-FORCES  2.9439000000e-03  1.3038700000e-02 -5.9880000000e-04  5.3430000000e-04  7.5030000000e-04  2.5667000000e-03 -3.0294000000e-03 -1.0046800000e-02  4.0500000000e-05  3.2952000000e-03 -1.5820000000e-03  1.5007000000e-03  4.2920000000e-04 -8.1120000000e-04 -5.5445000000e-03 -4.1732000000e-03 -1.3490000000e-03  2.0354000000e-03
-
-JOB 182
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2237000000e-02 -1.1473400000e-01  9.4975200000e-01  8.3949400000e-01  4.3063600000e-01 -1.6135200000e-01  4.0053500000e-01 -2.7812000000e-02  2.8390560000e+00 -3.6189600000e-01  4.1126100000e-01  3.2160800000e+00  2.9409500000e-01 -9.4679800000e-01  3.0847520000e+00
-ENERGY -1.526607264963e+02
-FORCES  5.4551000000e-03  1.8722000000e-03  1.1928600000e-02 -4.4414000000e-03 -2.0194000000e-03 -8.5813000000e-03 -2.4445000000e-03 -1.1673000000e-03 -6.6330000000e-04 -1.7839000000e-03 -8.1290000000e-04  3.6950000000e-03  3.6805000000e-03 -3.1644000000e-03 -3.3331000000e-03 -4.6580000000e-04  5.2918000000e-03 -3.0459000000e-03
-
-JOB 183
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3865200000e-01 -3.0043000000e-02  7.9068600000e-01 -8.0841900000e-01 -4.5123500000e-01  2.4306000000e-01  3.8164000000e-02 -2.2487300000e-01  2.7342930000e+00  8.3196300000e-01 -5.9220400000e-01  3.1231160000e+00 -4.0945000000e-02  6.4469400000e-01  3.1265020000e+00
-ENERGY -1.526575505814e+02
-FORCES -2.7283000000e-03 -3.2981000000e-03  1.6080000000e-02  4.5942000000e-03  1.1593000000e-03 -5.5480000000e-03  5.9730000000e-04  1.1359000000e-03 -3.6703000000e-03 -4.3580000000e-04  2.8880000000e-03 -1.5740000000e-04 -3.2344000000e-03  2.8533000000e-03 -4.5696000000e-03  1.2069000000e-03 -4.7384000000e-03 -2.1348000000e-03
-
-JOB 184
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3141000000e-02 -9.1330600000e-01 -2.7421000000e-01  6.3530600000e-01  4.7120200000e-01 -5.3906200000e-01 -2.9185900000e-01  3.4534200000e-01  2.6978560000e+00 -1.7128700000e-01  2.3229600000e-01  1.7550330000e+00  4.4572000000e-01  8.9117900000e-01  2.9703800000e+00
-ENERGY -1.526604402199e+02
-FORCES  1.8736000000e-03 -6.2580000000e-04  2.4029000000e-03  3.3720000000e-04  5.2985000000e-03  9.7760000000e-04 -2.7291000000e-03 -3.2898000000e-03  2.5027000000e-03  3.2688000000e-03 -9.8200000000e-05 -1.4089400000e-02 -1.0516000000e-03  4.7800000000e-05  9.9441000000e-03 -1.6989000000e-03 -1.3325000000e-03 -1.7380000000e-03
-
-JOB 185
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1101000000e-01  4.9507400000e-01 -4.0693800000e-01 -6.7617000000e-02 -8.7507800000e-01 -3.8196600000e-01 -2.2579560000e+00  1.1150970000e+00 -1.2943020000e+00 -2.1973730000e+00  2.0528710000e+00 -1.1122540000e+00 -3.0664020000e+00  8.3859900000e-01 -8.6279800000e-01
-ENERGY -1.526607906780e+02
-FORCES -1.0540000000e-02  2.0107000000e-03 -8.3982000000e-03  8.2196000000e-03 -7.4110000000e-04  6.0217000000e-03  1.4100000000e-04  1.9796000000e-03  1.6512000000e-03 -2.9974000000e-03  1.0933000000e-03  2.5079000000e-03  8.1430000000e-04 -6.1070000000e-03  4.6310000000e-04  4.3625000000e-03  1.7645000000e-03 -2.2456000000e-03
-
-JOB 186
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3263300000e-01  2.9341100000e-01 -9.0141600000e-01  5.5291000000e-02 -9.5441100000e-01 -4.7687000000e-02  2.8331700000e-01  5.5103000000e-01 -2.6677330000e+00 -4.4754700000e-01  1.1387400000e+00 -2.8592170000e+00  1.0469500000e+00  9.8633200000e-01 -3.0466900000e+00
-ENERGY -1.526609084096e+02
-FORCES  2.7457000000e-03 -2.6030000000e-04 -1.5176800000e-02 -3.1978000000e-03  4.1350000000e-04  9.3582000000e-03 -6.7400000000e-05  2.4354000000e-03  2.8470000000e-04  3.7310000000e-04  2.0164000000e-03  1.5321000000e-03  4.8555000000e-03 -2.8614000000e-03  2.3598000000e-03 -4.7090000000e-03 -1.7436000000e-03  1.6419000000e-03
-
-JOB 187
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7759200000e-01 -3.3634100000e-01  1.8149000000e-01  8.6345000000e-02 -5.5828000000e-02 -9.5166200000e-01 -1.0047000000e-02 -1.5267600000e-01 -2.7986470000e+00  7.9259100000e-01 -4.5347600000e-01 -3.2247030000e+00 -7.1580700000e-01 -4.9659100000e-01 -3.3462380000e+00
-ENERGY -1.526605560842e+02
-FORCES -3.0956000000e-03 -1.4893000000e-03 -1.2616000000e-02  2.1068000000e-03  8.3760000000e-04 -5.6230000000e-04  2.3176000000e-03  3.6430000000e-04  9.1771000000e-03 -8.0460000000e-04 -2.1507000000e-03  8.5300000000e-05 -4.6355000000e-03  1.1750000000e-03  2.0801000000e-03  4.1112000000e-03  1.2631000000e-03  1.8359000000e-03
-
-JOB 188
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1419600000e-01 -4.2834000000e-01  2.6427700000e-01 -1.9500000000e-03  8.2843300000e-01  4.7950700000e-01  2.2381800000e-01  1.9060100000e-01 -2.7882960000e+00  1.3796500000e-01  3.0043700000e-01 -1.8413020000e+00 -5.2367600000e-01 -3.5380500000e-01 -3.0354940000e+00
-ENERGY -1.526614054750e+02
-FORCES  3.3178000000e-03 -2.5180000000e-04  1.4542000000e-03 -4.3644000000e-03  3.1777000000e-03 -1.3324000000e-03  7.7840000000e-04 -4.2618000000e-03 -3.5812000000e-03 -4.2756000000e-03 -2.4074000000e-03  1.2737700000e-02  2.3719000000e-03  2.3377000000e-03 -9.7477000000e-03  2.1719000000e-03  1.4056000000e-03  4.6940000000e-04
-
-JOB 189
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2278400000e-01 -6.8355400000e-01 -2.4723700000e-01  8.5979500000e-01 -3.9814900000e-01 -1.3587600000e-01  1.4311900000e-01 -3.9643000000e-01  2.9865480000e+00  1.1691800000e-01 -2.1361400000e-01  2.0473330000e+00  9.3609000000e-01 -9.1876900000e-01  3.1073380000e+00
-ENERGY -1.526597397016e+02
-FORCES -2.4870000000e-04 -3.8605000000e-03 -5.6253000000e-03  3.9760000000e-03  3.3378000000e-03  2.0223000000e-03 -4.6993000000e-03  1.5157000000e-03  3.6071000000e-03  1.4219000000e-03  1.2744000000e-03 -8.3670000000e-03  2.0746000000e-03 -3.8832000000e-03  9.9701000000e-03 -2.5245000000e-03  1.6158000000e-03 -1.6072000000e-03
-
-JOB 190
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2568700000e-01 -8.3442900000e-01 -4.5184300000e-01  6.1231000000e-01  5.9892000000e-01 -4.2732000000e-01  1.9779240000e+00  1.3549390000e+00 -1.4304550000e+00  1.8759490000e+00  1.0885830000e+00 -2.3441770000e+00  2.9134720000e+00  1.2550870000e+00 -1.2543520000e+00
-ENERGY -1.526601243880e+02
-FORCES  1.0572500000e-02  4.5151000000e-03 -7.3564000000e-03 -4.2540000000e-04  2.1621000000e-03  7.4170000000e-04 -7.8183000000e-03 -4.0522000000e-03  3.6455000000e-03  1.3881000000e-03 -2.9601000000e-03  6.9800000000e-05  7.2580000000e-04  1.3960000000e-04  5.2946000000e-03 -4.4428000000e-03  1.9540000000e-04 -2.3952000000e-03
-
-JOB 191
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7907000000e-02  3.0410000000e-02 -9.5551700000e-01 -8.3796700000e-01  4.1147800000e-01  2.1149200000e-01  4.6560690000e+00 -1.4824300000e-01 -2.2285500000e-01  4.8636380000e+00 -2.9367400000e-01 -1.1458920000e+00  5.4911370000e+00  9.7911000000e-02  1.7501800000e-01
-ENERGY -1.526530380042e+02
-FORCES -2.5697000000e-03  1.8942000000e-03 -3.0986000000e-03 -5.5680000000e-04 -1.9910000000e-04  3.7194000000e-03  3.4212000000e-03 -1.7032000000e-03 -7.7020000000e-04  4.0998000000e-03  3.8130000000e-04 -1.8304000000e-03 -9.9370000000e-04  6.4000000000e-04  3.6447000000e-03 -3.4008000000e-03 -1.0132000000e-03 -1.6649000000e-03
-
-JOB 192
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1822100000e-01  5.5265800000e-01 -3.0815500000e-01  7.8918300000e-01  4.1752000000e-01 -3.4510700000e-01 -2.2840860000e+00  1.5160700000e+00 -6.5961700000e-01 -3.0667090000e+00  1.2093190000e+00 -2.0175600000e-01 -2.2295360000e+00  2.4471420000e+00 -4.4430200000e-01
-ENERGY -1.526614592824e+02
-FORCES -8.0802000000e-03  7.0945000000e-03 -4.4849000000e-03  9.3519000000e-03 -5.2854000000e-03  2.7375000000e-03 -3.0830000000e-03 -7.6000000000e-05  9.4200000000e-04 -1.7177000000e-03  4.0280000000e-04  3.9404000000e-03  3.7144000000e-03  2.7026000000e-03 -2.2492000000e-03 -1.8550000000e-04 -4.8385000000e-03 -8.8570000000e-04
-
-JOB 193
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4590900000e-01 -6.9944100000e-01  9.9074000000e-02 -4.2621200000e-01  7.7412400000e-01  3.6784100000e-01 -2.1470030000e+00 -1.5978790000e+00  7.9037200000e-01 -2.0308720000e+00 -1.5864730000e+00  1.7404320000e+00 -2.2184310000e+00 -2.5262560000e+00  5.6845800000e-01
-ENERGY -1.526603582392e+02
-FORCES -1.2808800000e-02 -5.4717000000e-03  3.3024000000e-03  8.4731000000e-03  3.6558000000e-03 -2.2162000000e-03  1.8212000000e-03 -1.8575000000e-03 -1.3530000000e-04  1.5636000000e-03 -1.3271000000e-03  2.9076000000e-03 -4.1770000000e-04  1.3100000000e-05 -5.3823000000e-03  1.3686000000e-03  4.9873000000e-03  1.5238000000e-03
-
-JOB 194
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2600100000e-01 -5.9886000000e-01  5.3002000000e-01  8.3440300000e-01 -4.5390900000e-01 -1.1819700000e-01  5.9693200000e-01  2.2442000000e+00  1.2208300000e+00  4.2531000000e-01  1.4873640000e+00  6.6049300000e-01  1.3285710000e+00  2.6944000000e+00  7.9862700000e-01
-ENERGY -1.526584189338e+02
-FORCES  1.6965000000e-03  4.8444000000e-03  8.2713000000e-03  3.7358000000e-03  1.9078000000e-03 -3.4706000000e-03 -4.1212000000e-03  3.9834000000e-03  1.4416000000e-03 -5.0406000000e-03 -1.5002700000e-02 -9.7791000000e-03  5.5388000000e-03  8.1377000000e-03  3.7236000000e-03 -1.8093000000e-03 -3.8705000000e-03 -1.8680000000e-04
-
-JOB 195
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3941400000e-01 -9.2403600000e-01  2.0725000000e-01  8.4287200000e-01  4.1623300000e-01  1.8041200000e-01  4.5299000000e-02 -2.6576440000e+00  7.6542300000e-01  3.3989900000e-01 -2.7868920000e+00  1.6669420000e+00  7.1993500000e-01 -3.0755840000e+00  2.3023600000e-01
-ENERGY -1.526596546747e+02
-FORCES  1.1498000000e-03 -1.2363200000e-02  4.5295000000e-03  2.8771000000e-03  1.0068900000e-02 -4.6002000000e-03 -2.1508000000e-03 -2.9151000000e-03  4.1800000000e-05  1.4990000000e-03 -4.3200000000e-04  2.3067000000e-03 -4.5520000000e-04  7.2650000000e-04 -5.4346000000e-03 -2.9200000000e-03  4.9149000000e-03  3.1568000000e-03
-
-JOB 196
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4237000000e-02 -1.1620600000e-01 -9.5001300000e-01  7.5219200000e-01 -5.1414400000e-01  2.9342100000e-01  1.9248050000e+00 -1.6475340000e+00  1.1874820000e+00  1.7873560000e+00 -2.4731940000e+00  7.2312800000e-01  2.8341730000e+00 -1.4150980000e+00  9.9971900000e-01
-ENERGY -1.526598949094e+02
-FORCES  8.9528000000e-03 -6.9391000000e-03  4.1747000000e-03  1.2781000000e-03 -9.9950000000e-04  3.3699000000e-03 -6.9910000000e-03  5.5674000000e-03 -7.4011000000e-03  1.8217000000e-03 -2.5254000000e-03 -6.9470000000e-04  6.4320000000e-04  6.0105000000e-03  9.0830000000e-04 -5.7048000000e-03 -1.1139000000e-03 -3.5700000000e-04
-
-JOB 197
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7415200000e-01 -5.4043200000e-01 -1.5765100000e-01  2.3683100000e-01  8.6322900000e-01 -3.3908600000e-01  4.4042000000e-02  2.6517620000e+00 -1.1864700000e+00  8.9064000000e-01  3.0288060000e+00 -9.4701000000e-01 -5.9988100000e-01  3.2766820000e+00 -8.5319800000e-01
-ENERGY -1.526600181502e+02
-FORCES  1.2519000000e-03  7.2864000000e-03 -5.3299000000e-03 -1.9366000000e-03  3.0995000000e-03  1.5430000000e-04  3.2669000000e-03 -8.9554000000e-03  5.5379000000e-03 -2.4382000000e-03  5.0008000000e-03  1.6346000000e-03 -4.2298000000e-03 -4.2799000000e-03 -6.0200000000e-05  4.0857000000e-03 -2.1514000000e-03 -1.9367000000e-03
-
-JOB 198
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1212000000e-02  7.4630000000e-02 -9.5405000000e-01 -1.3824400000e-01 -9.3272700000e-01  1.6474400000e-01  2.0905160000e+00 -3.7701730000e+00  1.2346900000e-01  2.0660040000e+00 -4.7091950000e+00  3.0750600000e-01  2.9661660000e+00 -3.4951460000e+00  3.9518300000e-01
-ENERGY -1.526559867245e+02
-FORCES  5.8800000000e-05 -4.6213000000e-03 -3.1923000000e-03 -2.3900000000e-04  2.0360000000e-04  3.6280000000e-03 -5.1480000000e-04  4.9577000000e-03 -5.0800000000e-04  4.2228000000e-03 -2.9169000000e-03  2.0430000000e-03  9.9900000000e-05  3.9118000000e-03 -7.6510000000e-04 -3.6277000000e-03 -1.5348000000e-03 -1.2057000000e-03
-
-JOB 199
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1801300000e-01  2.6192000000e-02  9.4953600000e-01  8.7400000000e-04  9.1915800000e-01 -2.6717000000e-01 -2.2599290000e+00 -1.1820100000e+00 -1.1162220000e+00 -2.3028970000e+00 -1.2154490000e+00 -2.0718730000e+00 -1.4184400000e+00 -7.6633500000e-01 -9.2822600000e-01
-ENERGY -1.526609922788e+02
-FORCES -3.1098000000e-03  1.5822000000e-03  4.0837000000e-03  1.3056000000e-03  1.1087000000e-03 -4.8990000000e-03 -1.1460000000e-03 -5.3356000000e-03  6.5980000000e-04  1.0675800000e-02  3.9103000000e-03  3.1306000000e-03  1.6324000000e-03  1.4410000000e-03  3.1559000000e-03 -9.3579000000e-03 -2.7067000000e-03 -6.1310000000e-03
-
-JOB 200
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3885300000e-01  4.9960300000e-01 -3.4745500000e-01 -1.2772300000e-01 -8.8544800000e-01 -3.4044100000e-01 -1.7976000000e-02  1.0747600000e-01  2.6665970000e+00  7.4452000000e-02  1.6150500000e-01  1.7154030000e+00  6.6741200000e-01  6.8225100000e-01  3.0073460000e+00
-ENERGY -1.526607326832e+02
-FORCES -3.1391000000e-03 -2.4357000000e-03  5.5763000000e-03  3.8356000000e-03 -3.2368000000e-03  2.0867000000e-03 -2.5010000000e-04  5.2367000000e-03  8.0810000000e-04  1.9449000000e-03 -1.4090000000e-04 -1.6176500000e-02 -6.1410000000e-04  1.8124000000e-03  1.0532200000e-02 -1.7771000000e-03 -1.2357000000e-03 -2.8269000000e-03
-
-JOB 201
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8457000000e-02 -2.4631300000e-01 -9.2416600000e-01  8.2169600000e-01 -3.7676800000e-01  3.1479100000e-01 -1.2690400000e-01 -1.8027900000e-01 -2.7574650000e+00 -9.5019500000e-01 -6.3023400000e-01 -2.9471060000e+00  5.4356700000e-01 -7.2001600000e-01 -3.1762540000e+00
-ENERGY -1.526594470071e+02
-FORCES  1.9214000000e-03 -8.4720000000e-04 -1.3403800000e-02 -1.0959000000e-03 -2.4058000000e-03  1.0785900000e-02 -2.1726000000e-03  7.3820000000e-04 -2.3274000000e-03 -3.4980000000e-04 -1.5771000000e-03 -1.2623000000e-03  5.4386000000e-03  1.8114000000e-03  2.7167000000e-03 -3.7417000000e-03  2.2805000000e-03  3.4910000000e-03
-
-JOB 202
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8714500000e-01 -8.5388800000e-01  3.8998000000e-01 -7.5576300000e-01  5.4012300000e-01  2.3091300000e-01  2.2508380000e+00  1.1899150000e+00  1.3112480000e+00  1.4509370000e+00  7.5171900000e-01  1.0207750000e+00  2.9492300000e+00  7.7473900000e-01  8.0517500000e-01
-ENERGY -1.526608809145e+02
-FORCES -4.2202000000e-03 -6.3200000000e-04  4.8550000000e-04  1.9463000000e-03  5.2878000000e-03 -1.1756000000e-03  4.7992000000e-03 -3.2596000000e-03 -9.3700000000e-05 -7.2173000000e-03 -6.1389000000e-03 -8.3782000000e-03  6.4088000000e-03  3.8801000000e-03  7.2681000000e-03 -1.7167000000e-03  8.6260000000e-04  1.8939000000e-03
-
-JOB 203
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2430500000e-01 -1.9045300000e-01  1.6006300000e-01 -1.0842700000e-01  9.1058200000e-01  2.7443700000e-01  2.6798100000e-01  3.0930180000e+00  8.6403000000e-01  4.5351400000e-01  3.2199700000e+00  1.7944560000e+00  1.0447900000e+00  3.4284150000e+00  4.1647200000e-01
-ENERGY -1.526601558460e+02
-FORCES  2.7766000000e-03  6.6968000000e-03  2.5889000000e-03 -2.7779000000e-03  3.4340000000e-04 -6.4930000000e-04 -2.9940000000e-04 -9.0950000000e-03 -2.3036000000e-03  4.0074000000e-03  5.1260000000e-03  2.4195000000e-03 -3.4080000000e-04 -9.2140000000e-04 -4.6877000000e-03 -3.3659000000e-03 -2.1497000000e-03  2.6321000000e-03
-
-JOB 204
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9049600000e-01  3.4237000000e-01  4.1728900000e-01  1.5527100000e-01 -8.3965700000e-01  4.3255000000e-01  2.0481960000e+00  1.7298190000e+00  9.1021100000e-01  1.3152360000e+00  1.1502900000e+00  7.0249400000e-01  2.8224440000e+00  1.2556490000e+00  6.0700600000e-01
-ENERGY -1.526602949554e+02
-FORCES -2.7784000000e-03 -1.8693000000e-03  1.9817000000e-03  5.8853000000e-03 -1.4822000000e-03 -1.2471000000e-03  2.4290000000e-04  5.5703000000e-03 -1.6856000000e-03 -7.1102000000e-03 -9.1107000000e-03 -6.8230000000e-03  6.0139000000e-03  6.1227000000e-03  6.4652000000e-03 -2.2535000000e-03  7.6910000000e-04  1.3087000000e-03
-
-JOB 205
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8830000000e-03  1.8603000000e-02  9.5700100000e-01  7.7074000000e-01  5.0729900000e-01 -2.5463700000e-01 -1.0729300000e-01 -2.5644090000e+00 -9.3264400000e-01 -8.5252100000e-01 -3.1217610000e+00 -7.0853500000e-01 -2.6794400000e-01 -1.7475180000e+00 -4.6029600000e-01
-ENERGY -1.526598358905e+02
-FORCES  5.2328000000e-03 -1.6281000000e-03 -1.8837000000e-03 -2.2610000000e-04 -1.8437000000e-03 -5.3451000000e-03 -4.0062000000e-03 -1.1153000000e-03  2.9646000000e-03 -9.0600000000e-04  1.1778300000e-02  3.5111000000e-03  2.0086000000e-03  3.5916000000e-03  8.2290000000e-04 -2.1031000000e-03 -1.0782700000e-02 -6.9800000000e-05
-
-JOB 206
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2558000000e-02  3.7747000000e-02  9.5288600000e-01 -8.4572000000e-02  9.1003700000e-01 -2.8445100000e-01 -1.6016500000e-01  2.7683740000e+00 -6.0939200000e-01 -2.4505400000e-01  2.8991610000e+00 -1.5538080000e+00  6.3329900000e-01  3.2478080000e+00 -3.7108300000e-01
-ENERGY -1.526614171345e+02
-FORCES -1.8755000000e-03  1.2643300000e-02  4.6140000000e-04  7.9810000000e-04 -3.0000000000e-06 -2.5099000000e-03  8.7600000000e-04 -1.0432000000e-02  2.3550000000e-04  3.1811000000e-03  1.4807000000e-03 -1.8297000000e-03  1.2446000000e-03 -1.3827000000e-03  5.2155000000e-03 -4.2244000000e-03 -2.3063000000e-03 -1.5729000000e-03
-
-JOB 207
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9481000000e-02  3.9300000000e-02 -9.5308400000e-01 -1.5917900000e-01  8.9779000000e-01  2.9131800000e-01  4.0942000000e-02  2.1168400000e-01 -2.7199170000e+00  8.7727300000e-01 -1.5235000000e-02 -3.1264760000e+00 -1.3575600000e-01  1.1044110000e+00 -3.0166480000e+00
-ENERGY -1.526599117432e+02
-FORCES -3.9810000000e-04  2.8518000000e-03 -1.4913800000e-02 -5.8350000000e-04 -1.3190000000e-04  1.0198300000e-02  3.8840000000e-04 -2.0213000000e-03 -2.0195000000e-03  3.5782000000e-03  1.4122000000e-03  3.1069000000e-03 -4.6168000000e-03  2.2510000000e-03  1.2833000000e-03  1.6320000000e-03 -4.3617000000e-03  2.3447000000e-03
-
-JOB 208
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8549900000e-01 -2.1148100000e-01  9.1493000000e-01 -7.9305000000e-01 -2.5585300000e-01 -4.7100200000e-01 -1.5746500000e-01  4.7639000000e-02  2.7333890000e+00 -1.0050120000e+00 -3.7903300000e-01  2.8592690000e+00  4.8219600000e-01 -5.9270400000e-01  3.0448820000e+00
-ENERGY -1.526571077287e+02
-FORCES -1.6057000000e-03  1.1481000000e-03  1.3033800000e-02 -2.1855000000e-03 -4.8158000000e-03 -9.8455000000e-03  1.7690000000e-03  5.3430000000e-04  4.0504000000e-03  1.0157000000e-03 -1.4812000000e-03  1.2947000000e-03  5.3966000000e-03  1.5548000000e-03 -5.1852000000e-03 -4.3901000000e-03  3.0598000000e-03 -3.3482000000e-03
-
-JOB 209
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1053800000e-01  2.7501500000e-01 -9.1015400000e-01  8.1028500000e-01  4.2430800000e-01  2.8219400000e-01 -2.3390850000e+00  7.3437000000e-01  1.4618870000e+00 -1.6034670000e+00  3.6891600000e-01  9.7042000000e-01 -2.4103560000e+00  1.6370110000e+00  1.1514180000e+00
-ENERGY -1.526607031996e+02
-FORCES  2.4914000000e-03  2.8351000000e-03 -8.1050000000e-04  2.2880000000e-04 -2.5270000000e-04  5.3688000000e-03 -4.0761000000e-03 -1.6295000000e-03 -2.5852000000e-03  1.0043800000e-02 -1.0314000000e-03 -6.6905000000e-03 -9.0668000000e-03  2.5461000000e-03  4.1767000000e-03  3.7900000000e-04 -2.4676000000e-03  5.4070000000e-04
-
-JOB 210
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7003600000e-01  3.5496400000e-01 -4.4415800000e-01  8.5876000000e-02 -8.8962700000e-01 -3.4266600000e-01  2.1698760000e+00  1.4478510000e+00 -1.0154410000e+00  1.4010410000e+00  1.0185200000e+00 -6.4020800000e-01  2.9002010000e+00  8.7125200000e-01 -7.9096400000e-01
-ENERGY -1.526606804333e+02
-FORCES -1.2208000000e-03 -1.6540000000e-03 -3.7982000000e-03  5.2897000000e-03 -1.8353000000e-03  1.7139000000e-03 -2.6000000000e-05  5.0731000000e-03  1.4987000000e-03 -8.5396000000e-03 -8.3819000000e-03  7.2206000000e-03  6.9186000000e-03  5.9395000000e-03 -5.7246000000e-03 -2.4219000000e-03  8.5860000000e-04 -9.1030000000e-04
-
-JOB 211
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.9321000000e-02  1.0319700000e-01  9.4642400000e-01 -3.8282900000e-01  7.9563400000e-01 -3.6965000000e-01  2.1066880000e+00 -1.3992370000e+00 -7.7488800000e-01  1.2636300000e+00 -1.0706500000e+00 -4.6261200000e-01  2.2426240000e+00 -2.2121520000e+00 -2.8814100000e-01
-ENERGY -1.526586309817e+02
-FORCES  7.5120000000e-03 -7.0530000000e-04 -3.1644000000e-03  2.9690000000e-04 -5.6960000000e-04 -4.9340000000e-03  7.3620000000e-04 -3.0588000000e-03  4.0080000000e-03 -1.2620800000e-02  7.4792000000e-03  3.8532000000e-03  6.2813000000e-03 -6.6441000000e-03  8.7200000000e-05 -2.2056000000e-03  3.4986000000e-03  1.5010000000e-04
-
-JOB 212
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3570100000e-01  3.7311900000e-01  2.8038800000e-01 -2.2385000000e-02 -9.0326000000e-01  3.1599300000e-01  4.1027480000e+00 -1.6277800000e-01 -1.8392600000e-01  4.2116030000e+00 -2.0723100000e-01 -1.1338770000e+00  4.7433450000e+00  4.8898800000e-01  1.0079900000e-01
-ENERGY -1.526535580291e+02
-FORCES -2.6112000000e-03 -2.5708000000e-03  2.9072000000e-03  3.4766000000e-03 -1.3432000000e-03 -1.2044000000e-03 -7.1340000000e-04  3.6272000000e-03 -1.5189000000e-03  2.1007000000e-03  3.2085000000e-03 -2.9776000000e-03  9.5200000000e-05 -1.5870000000e-04  3.8673000000e-03 -2.3479000000e-03 -2.7629000000e-03 -1.0736000000e-03
-
-JOB 213
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5292500000e-01 -4.0536600000e-01 -1.5630100000e-01  1.3435600000e-01 -8.0125000000e-02  9.4433100000e-01  3.0882800000e-01  2.5742640000e+00 -8.2967700000e-01 -4.1764100000e-01  2.9839680000e+00 -3.5997900000e-01  3.6977700000e-01  1.6946210000e+00 -4.5719200000e-01
-ENERGY -1.526590062363e+02
-FORCES -3.7414000000e-03  2.8555000000e-03 -1.5573000000e-03  4.2818000000e-03  1.3983000000e-03  2.5927000000e-03 -1.4867000000e-03  2.3595000000e-03 -5.3459000000e-03 -3.8832000000e-03 -1.4121900000e-02  5.3580000000e-03  1.7152000000e-03 -1.5800000000e-03 -9.7570000000e-04  3.1143000000e-03  9.0887000000e-03 -7.1700000000e-05
-
-JOB 214
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1578000000e-02  6.7659000000e-02  9.5281800000e-01 -7.7737900000e-01 -5.3721000000e-01 -1.5270400000e-01 -1.9582860000e+00 -1.6624760000e+00 -7.9715400000e-01 -2.7536400000e+00 -1.2873620000e+00 -4.1908900000e-01 -1.9832950000e+00 -2.5847780000e+00 -5.4227400000e-01
-ENERGY -1.526584372757e+02
-FORCES -1.0346000000e-02 -1.0527900000e-02 -3.5462000000e-03 -1.9237000000e-03 -1.5089000000e-03 -3.0035000000e-03  3.7983000000e-03  8.8057000000e-03  5.2222000000e-03  2.6741000000e-03 -8.4570000000e-04  2.1466000000e-03  7.0063000000e-03 -1.1081000000e-03  3.0000000000e-06 -1.2089000000e-03  5.1849000000e-03 -8.2210000000e-04
-
-JOB 215
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2403700000e-01 -4.5210700000e-01 -4.3313000000e-01 -5.0294000000e-02  8.4876300000e-01 -4.3966200000e-01 -4.5898900000e-01  2.5661200000e+00 -6.6132100000e-01 -1.2028540000e+00  3.0639660000e+00 -3.2213600000e-01  3.0539300000e-01  2.9609250000e+00 -2.4170000000e-01
-ENERGY -1.526593963860e+02
-FORCES -3.5189000000e-03  1.2006200000e-02 -5.0566000000e-03 -1.8207000000e-03  3.9700000000e-03  6.8930000000e-04  6.3805000000e-03 -8.2937000000e-03  2.2639000000e-03 -1.9798000000e-03 -3.6259000000e-03  5.9464000000e-03  4.6931000000e-03 -4.6720000000e-04 -1.4628000000e-03 -3.7541000000e-03 -3.5894000000e-03 -2.3803000000e-03
-
-JOB 216
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8490000000e-02  5.8764000000e-02 -9.5216500000e-01 -8.6161800000e-01 -2.9561300000e-01  2.9403800000e-01  1.7562080000e+00 -1.1968900000e+00  3.0776860000e+00  1.7765030000e+00 -1.3698250000e+00  2.1364560000e+00  9.6031500000e-01 -6.8182500000e-01  3.2099500000e+00
-ENERGY -1.526566782484e+02
-FORCES -4.4268000000e-03  9.0800000000e-05 -4.4786000000e-03  4.8100000000e-05 -3.5130000000e-04  4.1253000000e-03  4.1967000000e-03  1.0760000000e-03 -5.5160000000e-04 -3.1292000000e-03  2.7565000000e-03 -5.0992000000e-03  8.5400000000e-04 -1.0392000000e-03  5.2775000000e-03  2.4573000000e-03 -2.5327000000e-03  7.2660000000e-04
-
-JOB 217
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4056800000e-01  1.8250100000e-01  9.0832400000e-01  2.7974200000e-01  8.4633000000e-01 -3.4885700000e-01 -2.4765080000e+00 -8.9905800000e-01 -1.0769960000e+00 -3.1789430000e+00 -4.6900700000e-01 -5.8927300000e-01 -1.6768730000e+00 -4.6604000000e-01 -7.7814500000e-01
-ENERGY -1.526599483067e+02
-FORCES  1.8095000000e-03  2.4586000000e-03  2.9154000000e-03 -3.5350000000e-04 -2.7150000000e-04 -5.8576000000e-03 -3.1081000000e-03 -4.5310000000e-03  1.9904000000e-03  9.1688000000e-03  4.3968000000e-03  4.9169000000e-03  3.3105000000e-03 -8.0130000000e-04 -6.1550000000e-04 -1.0827100000e-02 -1.2516000000e-03 -3.3496000000e-03
-
-JOB 218
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7683400000e-01 -3.7550200000e-01 -5.6313900000e-01 -2.8707200000e-01  7.8750900000e-01 -4.6222300000e-01  1.9675490000e+00 -1.4041340000e+00 -1.5619190000e+00  1.8705110000e+00 -2.1871720000e+00 -1.0200090000e+00  2.7266980000e+00 -9.5097300000e-01 -1.1950810000e+00
-ENERGY -1.526608874392e+02
-FORCES  5.7452000000e-03 -3.1009000000e-03 -9.2130000000e-03 -4.8891000000e-03  4.6919000000e-03  8.8072000000e-03  1.7029000000e-03 -2.4070000000e-03  1.1539000000e-03  3.7087000000e-03 -3.8560000000e-03  2.3792000000e-03 -3.1300000000e-05  5.8993000000e-03 -2.1905000000e-03 -6.2364000000e-03 -1.2273000000e-03 -9.3690000000e-04
-
-JOB 219
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3244900000e-01 -5.7558200000e-01 -2.2012700000e-01  1.7205400000e-01  8.0491400000e-01 -4.8861300000e-01  4.6522500000e-01 -4.2517300000e-01  2.6678280000e+00  2.5699800000e-01 -5.0541700000e-01  1.7370030000e+00  4.5012800000e-01  5.1687700000e-01  2.8367810000e+00
-ENERGY -1.526570326689e+02
-FORCES  3.9335000000e-03  2.9203000000e-03  2.7929000000e-03 -4.5154000000e-03  3.1285000000e-03  5.2251000000e-03 -2.9520000000e-04 -4.3699000000e-03  1.6810000000e-03 -4.7767000000e-03  7.4586000000e-03 -1.3555400000e-02  4.9555000000e-03 -7.0007000000e-03  2.9141000000e-03  6.9830000000e-04 -2.1368000000e-03  9.4230000000e-04
-
-JOB 220
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9480000000e-03  2.3745800000e-01  9.2726000000e-01  8.3422500000e-01 -4.4854900000e-01 -1.3822000000e-01 -2.4265190000e+00 -8.2714000000e-01 -8.8627500000e-01 -2.5064750000e+00 -5.4998200000e-01 -1.7989760000e+00 -1.5841590000e+00 -4.7325700000e-01 -6.0091900000e-01
-ENERGY -1.526608714532e+02
-FORCES -2.7701000000e-03 -4.1622000000e-03  1.0900000000e-05  7.1430000000e-04 -1.8722000000e-03 -4.9090000000e-03 -3.2920000000e-03  3.1320000000e-03  1.9238000000e-03  1.3382600000e-02  5.2349000000e-03  2.5275000000e-03  1.3741000000e-03 -7.3980000000e-04  2.4905000000e-03 -9.4090000000e-03 -1.5928000000e-03 -2.0438000000e-03
-
-JOB 221
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7294900000e-01 -2.3726200000e-01 -3.1288700000e-01  2.2183000000e-02  9.5551400000e-01 -5.2277000000e-02  7.7592000000e-02  4.7388200000e-01  2.5912100000e+00 -1.0284600000e-01  1.2079700000e-01  1.7200020000e+00  7.6172500000e-01 -9.5198000000e-02  2.9438310000e+00
-ENERGY -1.526586387985e+02
-FORCES -5.5000000000e-05  5.2411000000e-03  4.5574000000e-03  4.5260000000e-03  1.9837000000e-03  4.3895000000e-03 -1.6306000000e-03 -6.7270000000e-03  2.2941000000e-03  1.3894000000e-03 -7.2970000000e-03 -1.7418600000e-02 -2.3546000000e-03  5.5656000000e-03  7.9514000000e-03 -1.8751000000e-03  1.2336000000e-03 -1.7738000000e-03
-
-JOB 222
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2809700000e-01 -9.2405800000e-01 -2.1433800000e-01  8.8354900000e-01  1.9810300000e-01 -3.1036600000e-01 -2.1138290000e+00  1.5438160000e+00 -8.7229700000e-01 -2.3224790000e+00  1.5478910000e+00 -1.8064700000e+00 -1.3496400000e+00  9.7201300000e-01 -7.9957100000e-01
-ENERGY -1.526599649086e+02
-FORCES  1.4377000000e-03 -1.1880000000e-03 -1.5250000000e-04  5.2780000000e-04  5.8015000000e-03 -3.3940000000e-04 -5.2691000000e-03 -1.5281000000e-03  6.8600000000e-04  9.5797000000e-03 -6.6309000000e-03  2.7164000000e-03  2.2749000000e-03 -1.3662000000e-03  3.0247000000e-03 -8.5510000000e-03  4.9117000000e-03 -5.9353000000e-03
-
-JOB 223
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8002500000e-01  4.8392700000e-01 -2.7130700000e-01  7.3204800000e-01  5.5783300000e-01 -2.6298400000e-01  2.0945190000e+00  1.4540020000e+00 -1.2367340000e+00  2.1489580000e+00  1.4241500000e+00 -2.1919190000e+00  2.0269610000e+00  2.3859910000e+00 -1.0292180000e+00
-ENERGY -1.526601972721e+02
-FORCES  7.2912000000e-03  7.0795000000e-03 -6.3169000000e-03  2.6085000000e-03 -9.1560000000e-04  5.1200000000e-04 -7.7224000000e-03 -3.0735000000e-03  6.1896000000e-03 -8.1730000000e-04  4.9850000000e-04 -4.0494000000e-03  7.0400000000e-05  1.8080000000e-03  4.7027000000e-03 -1.4304000000e-03 -5.3968000000e-03 -1.0379000000e-03
-
-JOB 224
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1129000000e-02 -7.7100000000e-02 -9.5213000000e-01  7.5732500000e-01 -4.8413700000e-01  3.2909100000e-01 -2.6504200000e-01  2.4887480000e+00  3.2910590000e+00 -1.5525500000e-01  2.6400080000e+00  2.3522840000e+00  4.0435200000e-01  3.0356820000e+00  3.7021640000e+00
-ENERGY -1.526551485164e+02
-FORCES  3.1040000000e-03 -3.5160000000e-03 -2.4292000000e-03 -1.7190000000e-04  5.1210000000e-04  4.0350000000e-03 -2.9496000000e-03  2.2668000000e-03 -1.8416000000e-03  2.6029000000e-03  2.3009000000e-03 -3.1667000000e-03 -5.8200000000e-05  7.3570000000e-04  5.0050000000e-03 -2.5272000000e-03 -2.2996000000e-03 -1.6025000000e-03
-
-JOB 225
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1542900000e-01 -4.6609000000e-02 -9.4907100000e-01 -8.3098500000e-01  3.4543400000e-01  3.2614600000e-01  2.3073720000e+00  1.4706890000e+00  9.9052500000e-01  2.2833130000e+00  2.3511520000e+00  6.1577400000e-01  1.5808760000e+00  1.0108660000e+00  5.6981300000e-01
-ENERGY -1.526611990315e+02
-FORCES -4.5070000000e-03  5.3400000000e-05 -1.3436000000e-03  5.2400000000e-04  1.3189000000e-03  5.0197000000e-03  4.1351000000e-03 -1.4209000000e-03 -2.6831000000e-03 -8.1457000000e-03 -3.3541000000e-03 -4.5582000000e-03 -6.7100000000e-04 -2.9371000000e-03  7.6630000000e-04  8.6646000000e-03  6.3397000000e-03  2.7989000000e-03
-
-JOB 226
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8949000000e-02 -2.6467000000e-02 -9.5269100000e-01  7.8037300000e-01 -5.2329100000e-01  1.8280100000e-01 -2.1331600000e-01  2.6028900000e+00  9.4530800000e-01  7.7713000000e-02  1.7612470000e+00  5.9435200000e-01  4.9396700000e-01  3.2105450000e+00  7.2911900000e-01
-ENERGY -1.526603136321e+02
-FORCES  2.5030000000e-04 -1.3128000000e-03 -2.1289000000e-03  1.7198000000e-03  4.7810000000e-04  5.2667000000e-03 -3.6460000000e-03  3.8502000000e-03 -1.5717000000e-03  2.2557000000e-03 -1.0619000000e-02 -4.0064000000e-03  1.0418000000e-03  1.1100600000e-02  2.6441000000e-03 -1.6217000000e-03 -3.4972000000e-03 -2.0370000000e-04
-
-JOB 227
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7879000000e-01 -5.4575900000e-01  1.0892800000e-01  7.0123500000e-01 -4.9524200000e-01  4.2336400000e-01 -2.1371260000e+00 -1.3563340000e+00  6.5905200000e-01 -2.2902320000e+00 -1.4647070000e+00  1.5976920000e+00 -2.7974630000e+00 -7.2212200000e-01  3.7983300000e-01
-ENERGY -1.526575225508e+02
-FORCES -1.4682000000e-02 -1.3652300000e-02  6.4039000000e-03  3.6189000000e-03  7.0088000000e-03 -4.8458000000e-03 -2.3340000000e-03  9.6090000000e-04 -1.7650000000e-04  7.7509000000e-03  7.9259000000e-03  2.0060000000e-03 -2.9340000000e-04  5.1170000000e-04 -4.9970000000e-03  5.9396000000e-03 -2.7549000000e-03  1.6094000000e-03
-
-JOB 228
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5433000000e-02 -1.7473000000e-01 -9.3884000000e-01  8.3870600000e-01  4.0070600000e-01  2.2855800000e-01  6.5318000000e-02 -2.6050980000e+00  9.2824200000e-01  8.6107800000e-01 -2.9448620000e+00  5.1890300000e-01  3.5277000000e-02 -1.6847060000e+00  6.6707500000e-01
-ENERGY -1.526595795255e+02
-FORCES  2.5003000000e-03 -4.4940000000e-04 -2.0923000000e-03  9.8320000000e-04 -5.5360000000e-04  6.1298000000e-03 -4.1350000000e-03 -4.0270000000e-03 -1.6957000000e-03  8.4910000000e-04  1.3527300000e-02 -4.9003000000e-03 -2.2035000000e-03  2.2985000000e-03  4.4280000000e-04  2.0059000000e-03 -1.0795900000e-02  2.1157000000e-03
-
-JOB 229
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6592200000e-01 -3.7907100000e-01 -5.7365900000e-01 -1.3219400000e-01  8.8563600000e-01 -3.3823900000e-01  1.7748600000e+00  3.8423670000e+00  3.5567700000e-01  1.0501560000e+00  3.3631770000e+00 -4.6086000000e-02  1.6549790000e+00  4.7465370000e+00  6.5268000000e-02
-ENERGY -1.526525134152e+02
-FORCES  2.6766000000e-03  1.2572000000e-03 -3.5789000000e-03 -3.1810000000e-03  1.6333000000e-03  2.3125000000e-03  8.2560000000e-04 -2.2182000000e-03  1.4667000000e-03 -3.4142000000e-03  2.4138000000e-03 -2.2412000000e-03  2.5248000000e-03  9.1330000000e-04  8.1610000000e-04  5.6810000000e-04 -3.9993000000e-03  1.2249000000e-03
-
-JOB 230
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0830700000e-01 -8.3477000000e-02  9.4738200000e-01  3.1154000000e-01  8.9599900000e-01 -1.2790800000e-01 -5.0212000000e-02  2.5874300000e+00 -6.2442500000e-01 -8.5852100000e-01  3.0685680000e+00 -4.4729800000e-01  6.4501800000e-01  3.2348740000e+00 -5.0736100000e-01
-ENERGY -1.526578364483e+02
-FORCES -3.8810000000e-04  1.5196400000e-02 -1.5185000000e-03 -1.6200000000e-05  1.4185000000e-03 -2.8010000000e-03  3.6895000000e-03 -7.6130000000e-03  2.4075000000e-03 -4.7951000000e-03 -4.2038000000e-03  2.0772000000e-03  5.1122000000e-03 -2.2620000000e-04 -8.0140000000e-04 -3.6023000000e-03 -4.5720000000e-03  6.3620000000e-04
-
-JOB 231
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7780000000e-02 -9.0725900000e-01  3.0462500000e-01  8.7619200000e-01  3.3458100000e-01  1.9124400000e-01 -2.5124870000e+00  1.1214760000e+00  8.4970400000e-01 -1.6795240000e+00  6.5399900000e-01  7.8749800000e-01 -2.3573550000e+00  1.9497130000e+00  3.9562400000e-01
-ENERGY -1.526602299366e+02
-FORCES  3.3970000000e-03 -1.3696000000e-03  8.0140000000e-04 -8.5170000000e-04  5.7872000000e-03 -3.4850000000e-04 -4.3018000000e-03 -2.0907000000e-03 -1.1241000000e-03  1.0975800000e-02 -1.1528000000e-03 -5.7247000000e-03 -8.1037000000e-03  3.4320000000e-04  4.5815000000e-03 -1.1155000000e-03 -1.5173000000e-03  1.8144000000e-03
-
-JOB 232
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1094500000e-01 -5.2930900000e-01  5.1265100000e-01  7.4231000000e-02  8.7917300000e-01  3.7118400000e-01  5.0509000000e-02  2.5865410000e+00  9.4061700000e-01  1.6925600000e-01  2.3418290000e+00  1.8583570000e+00 -7.9269700000e-01  3.0391040000e+00  9.2008900000e-01
-ENERGY -1.526591341218e+02
-FORCES  1.9489000000e-03  1.2958000000e-02  3.7441000000e-03 -1.9245000000e-03  3.4455000000e-03 -9.4500000000e-05  3.7800000000e-04 -1.1385600000e-02  1.0222000000e-03 -4.4448000000e-03 -7.8550000000e-04  8.4410000000e-04 -7.2450000000e-04 -2.0078000000e-03 -6.6751000000e-03  4.7670000000e-03 -2.2247000000e-03  1.1593000000e-03
-
-JOB 233
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9299000000e-02  1.3851700000e-01 -9.4630900000e-01  8.7167300000e-01 -3.2025300000e-01  2.3207100000e-01  1.8880670000e+00 -3.2528170000e+00 -2.3219440000e+00  1.0481330000e+00 -3.5724840000e+00 -2.6514210000e+00  1.9634810000e+00 -2.3669120000e+00 -2.6765090000e+00
-ENERGY -1.526539582752e+02
-FORCES  3.9647000000e-03 -1.2188000000e-03 -2.3221000000e-03 -1.0270000000e-04 -6.9430000000e-04  3.3756000000e-03 -3.7313000000e-03  2.0653000000e-03 -1.1454000000e-03 -3.3763000000e-03  1.3248000000e-03 -3.2261000000e-03  3.7350000000e-03  1.5241000000e-03  1.1802000000e-03 -4.8940000000e-04 -3.0012000000e-03  2.1378000000e-03
-
-JOB 234
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8437100000e-01 -3.1751200000e-01 -1.8249900000e-01 -8.1813000000e-02  9.5368900000e-01 -4.0490000000e-03  2.1950200000e-01 -2.0207400000e-01  2.8640030000e+00  3.4023900000e-01 -3.6123300000e-01  1.9278820000e+00  1.0245840000e+00 -5.2560100000e-01  3.2682360000e+00
-ENERGY -1.526619894461e+02
-FORCES -4.8000000000e-03  4.0326000000e-03 -8.1650000000e-04  4.5192000000e-03  1.8122000000e-03  1.3105000000e-03  2.3920000000e-04 -5.1742000000e-03 -1.4660000000e-04  2.0209000000e-03 -1.3325000000e-03 -8.9351000000e-03  3.2960000000e-04 -3.9860000000e-04  1.1162500000e-02 -2.3089000000e-03  1.0605000000e-03 -2.5748000000e-03
-
-JOB 235
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5465100000e-01 -4.9916100000e-01 -3.1236600000e-01  7.3863600000e-01 -3.4079500000e-01 -5.0448700000e-01 -2.3799200000e-01  3.6002300000e-01  2.8227890000e+00 -6.9775000000e-02  2.4766400000e-01  1.8872090000e+00 -3.6106900000e-01  1.3028620000e+00  2.9329620000e+00
-ENERGY -1.526621829894e+02
-FORCES -1.1700000000e-04 -3.2138000000e-03 -1.5662000000e-03  4.4717000000e-03  2.2720000000e-03  1.0824000000e-03 -4.3557000000e-03  1.2144000000e-03  1.6699000000e-03  1.4664000000e-03  1.5326000000e-03 -1.0801700000e-02 -1.7726000000e-03  9.3440000000e-04  1.0231500000e-02  3.0730000000e-04 -2.7396000000e-03 -6.1580000000e-04
-
-JOB 236
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2280300000e-01 -5.8600900000e-01  2.2445700000e-01 -3.7450000000e-02  7.2906000000e-02 -9.5368400000e-01 -2.3102000000e-02 -3.3313200000e-01 -2.7107240000e+00 -7.9601300000e-01 -8.1797700000e-01 -3.0001480000e+00 -1.2658700000e-01  5.3639600000e-01 -3.0973030000e+00
-ENERGY -1.526582078164e+02
-FORCES -1.4423000000e-03 -4.7642000000e-03 -1.5535700000e-02  1.6093000000e-03  1.4490000000e-03 -1.0879000000e-03 -9.5000000000e-04  5.4200000000e-03  8.4273000000e-03 -2.8358000000e-03 -5.7570000000e-04  1.1138000000e-03  3.7479000000e-03  3.2258000000e-03  2.1504000000e-03 -1.2910000000e-04 -4.7548000000e-03  4.9322000000e-03
-
-JOB 237
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5607700000e-01 -3.9180100000e-01 -1.7279000000e-01 -7.9545000000e-02  8.9978100000e-01 -3.1670000000e-01 -2.1760130000e+00 -1.5433630000e+00 -8.5715100000e-01 -2.2134740000e+00 -1.6600810000e+00 -1.8064700000e+00 -3.0911920000e+00 -1.4601060000e+00 -5.8929400000e-01
-ENERGY -1.526607442863e+02
-FORCES -9.7194000000e-03 -4.4443000000e-03 -3.8309000000e-03  7.2728000000e-03  6.7058000000e-03  3.6073000000e-03 -6.4200000000e-04 -3.1243000000e-03  3.5720000000e-04 -3.4430000000e-04 -2.2640000000e-04 -2.9760000000e-03 -1.3309000000e-03  8.2460000000e-04  4.8590000000e-03  4.7637000000e-03  2.6450000000e-04 -2.0165000000e-03
-
-JOB 238
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2068300000e-01  9.3193000000e-01  1.8213800000e-01  1.1015000000e-02 -6.1240000000e-02 -9.5517500000e-01 -2.3333700000e+00 -1.1751250000e+00  5.3759400000e-01 -2.2964730000e+00 -1.0496790000e+00  1.4858210000e+00 -1.5015270000e+00 -8.2669100000e-01  2.1687200000e-01
-ENERGY -1.526578423864e+02
-FORCES -7.0324000000e-03  1.3297000000e-03  9.7980000000e-04  1.9960000000e-04 -4.8788000000e-03 -1.6175000000e-03 -3.1485000000e-03 -3.3450000000e-04  6.5352000000e-03  1.7137800000e-02  8.6185000000e-03  6.9060000000e-04 -7.2970000000e-04  1.1460000000e-04 -2.0391000000e-03 -6.4268000000e-03 -4.8495000000e-03 -4.5489000000e-03
-
-JOB 239
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7927000000e-01  3.5196800000e-01  1.3869100000e-01 -1.8484000000e-02 -2.4158900000e-01 -9.2602600000e-01  1.2617200000e-01 -4.4279600000e-01 -2.7233840000e+00  8.9799800000e-01 -2.0434900000e-01 -3.2368620000e+00 -5.8662200000e-01  6.4337000000e-02 -3.1119370000e+00
-ENERGY -1.526601497029e+02
-FORCES  4.0480000000e-03 -2.1069000000e-03 -1.4046300000e-02 -2.0870000000e-03 -7.9220000000e-04 -5.4450000000e-04 -3.1854000000e-03  2.0663000000e-03  8.9182000000e-03  1.1501000000e-03  3.7155000000e-03  1.1642000000e-03 -4.3413000000e-03 -4.9060000000e-04  2.0080000000e-03  4.4156000000e-03 -2.3921000000e-03  2.5003000000e-03
-
-JOB 240
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7407400000e-01 -4.4920500000e-01 -3.3949400000e-01  7.2501000000e-01 -5.9613300000e-01 -1.8766400000e-01  2.0203070000e+00 -1.4249770000e+00 -3.6562500000e-01  2.2634910000e+00 -2.3437240000e+00 -2.5161400000e-01  2.8418560000e+00 -9.4469900000e-01 -2.6256300000e-01
-ENERGY -1.526549313856e+02
-FORCES  1.9110000000e-02 -1.5602200000e-02 -4.2078000000e-03  3.3627000000e-03 -9.8450000000e-04  7.2810000000e-04 -2.5294000000e-03  4.7125000000e-03 -2.2930000000e-04 -1.7027200000e-02  1.1152000000e-02  4.8784000000e-03  8.9240000000e-04  5.1818000000e-03 -9.1360000000e-04 -3.8086000000e-03 -4.4596000000e-03 -2.5590000000e-04
-
-JOB 241
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3353900000e-01  2.9778700000e-01  3.6437100000e-01  1.4155800000e-01 -8.5982800000e-01  3.9609100000e-01 -2.9534800000e-01  5.9715600000e-01 -2.8001010000e+00 -2.8676200000e-01  3.5588800000e-01 -1.8738460000e+00 -1.7064500000e-01 -2.3033000000e-01 -3.2648020000e+00
-ENERGY -1.526605962828e+02
-FORCES -1.1539000000e-03 -2.3588000000e-03  3.1319000000e-03  4.2914000000e-03 -2.2150000000e-03 -3.5608000000e-03 -1.3485000000e-03  4.3501000000e-03 -1.5826000000e-03  2.8121000000e-03 -5.1757000000e-03  9.4347000000e-03 -4.2376000000e-03  3.2476000000e-03 -9.1210000000e-03 -3.6350000000e-04  2.1518000000e-03  1.6979000000e-03
-
-JOB 242
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9236600000e-01 -3.8762700000e-01  3.7166200000e-01 -1.2374200000e-01  8.1158700000e-01  4.9218500000e-01 -9.1253000000e-02  2.4651710000e+00  1.2719510000e+00 -8.5436000000e-01  2.7262920000e+00  7.5647400000e-01  6.3458200000e-01  2.9624420000e+00  8.9496700000e-01
-ENERGY -1.526597855877e+02
-FORCES  2.3035000000e-03  1.1043800000e-02  9.8068000000e-03 -1.7420000000e-03  1.5079000000e-03 -1.3592000000e-03 -3.2112000000e-03 -6.7230000000e-03 -7.4131000000e-03  1.3545000000e-03  1.7898000000e-03 -4.6996000000e-03  5.3196000000e-03 -4.6753000000e-03  1.7980000000e-03 -4.0245000000e-03 -2.9433000000e-03  1.8673000000e-03
-
-JOB 243
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7264100000e-01  3.5487300000e-01 -1.6968900000e-01 -1.8221000000e-02 -8.7619300000e-01 -3.8494800000e-01 -3.2598300000e-01 -2.5119580000e+00 -1.1573850000e+00 -3.8888100000e-01 -2.6009320000e+00 -2.1083630000e+00 -1.0935330000e+00 -2.9750330000e+00 -8.2173600000e-01
-ENERGY -1.526606865034e+02
-FORCES -3.5470000000e-03 -1.1433700000e-02 -6.4953000000e-03  2.0602000000e-03 -1.2728000000e-03  4.2820000000e-04  1.1875000000e-03  8.7052000000e-03  4.5624000000e-03 -2.2146000000e-03  1.1192000000e-03 -8.3220000000e-04 -8.8900000000e-04  8.5000000000e-06  5.0732000000e-03  3.4029000000e-03  2.8737000000e-03 -2.7362000000e-03
-
-JOB 244
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7627900000e-01  4.1345300000e-01 -3.7772800000e-01 -1.1581700000e-01 -9.3374600000e-01 -1.7589000000e-01 -2.1431780000e+00  1.0629840000e+00 -7.9811200000e-01 -2.9927900000e+00  8.5913100000e-01 -4.0717000000e-01 -1.8983970000e+00  1.9051450000e+00 -4.1460200000e-01
-ENERGY -1.526539197778e+02
-FORCES -2.3832500000e-02  7.2243000000e-03 -1.0039900000e-02  7.0279000000e-03  5.2548000000e-03  3.1422000000e-03 -1.1618000000e-03  2.2377000000e-03  4.5450000000e-04  1.2711400000e-02 -8.9500000000e-03  9.8086000000e-03  4.1859000000e-03  2.4276000000e-03 -2.1811000000e-03  1.0691000000e-03 -8.1945000000e-03 -1.1842000000e-03
-
-JOB 245
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8617700000e-01 -2.7421300000e-01 -8.9798500000e-01  8.1952400000e-01  3.8744100000e-01  3.0741200000e-01  3.9158300000e-01 -2.5834160000e+00  7.5802100000e-01  1.3048510000e+00 -2.8512510000e+00  6.5586100000e-01  3.8363900000e-01 -1.6586460000e+00  5.1110100000e-01
-ENERGY -1.526567234309e+02
-FORCES  1.8390000000e-03 -4.7820000000e-04 -1.9914000000e-03  7.2770000000e-04 -1.6634000000e-03  7.8779000000e-03 -3.9290000000e-03 -6.1409000000e-03 -1.4148000000e-03 -2.0102000000e-03  1.4251500000e-02 -2.5260000000e-03 -2.8607000000e-03  3.6255000000e-03 -7.0250000000e-04  6.2332000000e-03 -9.5944000000e-03 -1.2432000000e-03
-
-JOB 246
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7034600000e-01  5.2714500000e-01  2.1193700000e-01  7.1759700000e-01  4.2347900000e-01  4.7111700000e-01 -6.0323600000e-01 -2.4594320000e+00  6.5233600000e-01 -1.4922110000e+00 -2.7946540000e+00  5.3580200000e-01 -6.1673700000e-01 -1.5953090000e+00  2.4082500000e-01
-ENERGY -1.526568623289e+02
-FORCES  1.5009000000e-03 -7.3797000000e-03  7.4451000000e-03  3.0917000000e-03 -5.4095000000e-03 -7.2220000000e-04 -4.4016000000e-03  3.7060000000e-04 -2.8056000000e-03  4.8967000000e-03  1.4701700000e-02 -4.8995000000e-03  2.3904000000e-03  4.5677000000e-03 -4.1470000000e-04 -7.4780000000e-03 -6.8509000000e-03  1.3969000000e-03
-
-JOB 247
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2663000000e-01 -7.8838200000e-01 -5.2787400000e-01  7.4865800000e-01  4.4042700000e-01 -4.0220200000e-01  1.5784900000e-01 -6.3524000000e-02  2.5381980000e+00  2.0573800000e-01  2.4062000000e-02  1.5862170000e+00  1.0650540000e+00  1.7401000000e-02  2.8325830000e+00
-ENERGY -1.526556027644e+02
-FORCES  1.1442000000e-03 -4.0638000000e-03  1.3651800000e-02  1.8570000000e-03  5.3247000000e-03  1.1461000000e-03 -3.2105000000e-03 -3.7031000000e-03  4.3242000000e-03 -1.4383000000e-03 -2.9500000000e-04 -2.2780100000e-02  3.6041000000e-03  2.5069000000e-03  7.6280000000e-03 -1.9565000000e-03  2.3040000000e-04 -3.9701000000e-03
-
-JOB 248
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5572900000e-01 -3.9088300000e-01 -4.3853900000e-01  7.4442700000e-01 -2.2587500000e-01 -5.5771100000e-01 -2.5035480000e+00 -1.2358780000e+00 -8.0491300000e-01 -3.2934600000e+00 -7.7128000000e-01 -5.2847100000e-01 -2.5344420000e+00 -1.2137460000e+00 -1.7613580000e+00
-ENERGY -1.526603947796e+02
-FORCES -6.8268000000e-03 -5.5907000000e-03 -3.2465000000e-03  9.9168000000e-03  5.2742000000e-03 -7.1600000000e-05 -3.4442000000e-03  2.6590000000e-04  8.5780000000e-04 -5.3157000000e-03  1.7215000000e-03 -4.6320000000e-04  3.5784000000e-03 -2.6822000000e-03 -2.4145000000e-03  2.0914000000e-03  1.0112000000e-03  5.3379000000e-03
-
-JOB 249
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0727600000e-01  1.2239100000e-01  9.4326300000e-01 -7.5863100000e-01  5.3774400000e-01 -2.2702900000e-01  1.8774950000e+00  1.6658900000e+00 -7.3530700000e-01  1.0200920000e+00  1.2556800000e+00 -6.2208700000e-01  2.4669740000e+00  1.1440580000e+00 -1.9084600000e-01
-ENERGY -1.526531500430e+02
-FORCES  5.9093000000e-03  6.7587000000e-03  1.4174000000e-03  8.5860000000e-04  3.3600000000e-04 -6.0910000000e-03  9.1657000000e-03  3.1770000000e-04 -1.8510000000e-04 -1.2915400000e-02 -1.8368500000e-02  6.4712000000e-03 -2.4885000000e-03  8.6741000000e-03 -1.5331000000e-03 -5.2980000000e-04  2.2821000000e-03 -7.9400000000e-05
-
-JOB 250
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7000500000e-01 -3.5560500000e-01  1.8129600000e-01  4.5399000000e-02  9.0868800000e-01  2.9741700000e-01  3.0595200000e-01  2.5673860000e+00  8.1500400000e-01  3.1664200000e-01  2.7343890000e+00  1.7574620000e+00 -4.9547300000e-01  2.9895110000e+00  5.0555300000e-01
-ENERGY -1.526600591097e+02
-FORCES  5.4540000000e-03  1.5015500000e-02  5.3503000000e-03 -2.2482000000e-03  1.0192000000e-03  2.1630000000e-04 -4.4148000000e-03 -8.2438000000e-03 -3.8140000000e-03 -2.5486000000e-03 -2.7609000000e-03  1.2011000000e-03 -4.2530000000e-04 -7.0630000000e-04 -5.2660000000e-03  4.1829000000e-03 -4.3236000000e-03  2.3123000000e-03
-
-JOB 251
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0251600000e-01 -5.0010000000e-01  4.1545400000e-01  7.8411900000e-01 -2.2683400000e-01  4.9993600000e-01 -7.1532600000e-01  2.5730180000e+00  1.0596950000e+00 -5.6294100000e-01  2.4985760000e+00  2.0017510000e+00 -5.2329400000e-01  1.7005940000e+00  7.1584700000e-01
-ENERGY -1.526596833518e+02
-FORCES  1.6705000000e-03 -4.3328000000e-03  1.7075000000e-03  4.0416000000e-03  5.2171000000e-03 -7.1240000000e-04 -5.2346000000e-03  2.0899000000e-03 -1.4460000000e-03  3.7241000000e-03 -1.0080900000e-02 -3.0946000000e-03 -1.1510000000e-04 -1.1193000000e-03 -3.2260000000e-03 -4.0867000000e-03  8.2261000000e-03  6.7715000000e-03
-
-JOB 252
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6525600000e-01  6.1375200000e-01  3.1140700000e-01  7.9477800000e-01  5.2749400000e-01 -7.9432000000e-02 -6.2699000000e-02 -2.5700030000e+00  6.3544400000e-01 -8.1415500000e-01 -2.9477610000e+00  1.7844900000e-01 -5.8489000000e-02 -1.6501230000e+00  3.7080300000e-01
-ENERGY -1.526597460662e+02
-FORCES  8.8750000000e-04 -6.7503000000e-03  3.9650000000e-03  4.0772000000e-03 -2.1417000000e-03 -2.1573000000e-03 -5.1149000000e-03 -1.0241000000e-03  7.8140000000e-04 -3.8410000000e-04  1.5876500000e-02 -5.3793000000e-03  1.4364000000e-03  2.5371000000e-03  1.1610000000e-03 -9.0210000000e-04 -8.4975000000e-03  1.6291000000e-03
-
-JOB 253
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3875000000e-01 -2.1317200000e-01 -9.2278800000e-01 -2.0645600000e-01 -8.3909700000e-01  4.1173300000e-01 -2.5252900000e-01 -2.4378140000e+00  1.1463410000e+00 -1.8780000000e-03 -2.1350250000e+00  2.0191100000e+00  5.6969100000e-01 -2.7179000000e+00  7.4417400000e-01
-ENERGY -1.526584767162e+02
-FORCES -4.4230000000e-03 -1.6044700000e-02  4.2645000000e-03  4.0760000000e-04 -8.2140000000e-04  3.1582000000e-03  5.1988000000e-03  9.2897000000e-03 -2.0097000000e-03  5.3598000000e-03  3.2469000000e-03  4.9710000000e-04 -1.4236000000e-03  3.1120000000e-04 -6.7623000000e-03 -5.1196000000e-03  4.0183000000e-03  8.5220000000e-04
-
-JOB 254
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2913900000e-01  2.2548200000e-01 -4.5722000000e-02 -4.3636500000e-01  6.7356300000e-01 -5.2166200000e-01  4.2842600000e-01  1.6017000000e-01  2.6863570000e+00  6.2070000000e-01 -7.3561100000e-01  2.9635550000e+00  1.3587100000e-01  7.3076000000e-02  1.7791310000e+00
-ENERGY -1.526603329627e+02
-FORCES  1.7062000000e-03  3.9498000000e-03  1.4138000000e-03 -6.3503000000e-03 -1.2046000000e-03  2.7524000000e-03  3.3599000000e-03 -3.1469000000e-03  2.3665000000e-03 -5.2956000000e-03 -3.4263000000e-03 -1.2714500000e-02 -1.1170000000e-04  2.5753000000e-03 -2.1296000000e-03  6.6915000000e-03  1.2528000000e-03  8.3114000000e-03
-
-JOB 255
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3496300000e-01 -9.3005000000e-01 -1.8172600000e-01  7.9071500000e-01  4.2632100000e-01 -3.3053400000e-01 -2.0028990000e+00  1.3976230000e+00 -9.8516900000e-01 -2.7860520000e+00  9.1805500000e-01 -7.1513400000e-01 -1.2810380000e+00  9.4116100000e-01 -5.5297600000e-01
-ENERGY -1.526586350250e+02
-FORCES -6.2522000000e-03  2.4073000000e-03 -6.9049000000e-03  7.3870000000e-04  4.7854000000e-03  1.1699000000e-03 -5.2277000000e-03 -2.6566000000e-03  1.1432000000e-03  1.2310100000e-02 -1.1961300000e-02  8.5933000000e-03  2.5805000000e-03  1.5720000000e-04 -6.2610000000e-04 -4.1494000000e-03  7.2681000000e-03 -3.3754000000e-03
-
-JOB 256
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3991500000e-01  1.0099600000e-01 -9.4151800000e-01  7.3070300000e-01  4.6903100000e-01  4.0288400000e-01 -1.5190200000e-01 -3.4119700000e-01 -2.7355250000e+00 -1.8287600000e-01 -1.2200270000e+00 -3.1135860000e+00  6.0660900000e-01  7.1239000000e-02 -3.1487910000e+00
-ENERGY -1.526586028417e+02
-FORCES -3.7090000000e-04 -1.0222000000e-03 -1.0953100000e-02  3.9984000000e-03  4.3705000000e-03  9.0235000000e-03 -1.7793000000e-03 -1.4473000000e-03 -3.7072000000e-03  5.8740000000e-04 -5.0202000000e-03  5.0400000000e-04  7.3020000000e-04  5.0099000000e-03 -1.9800000000e-05 -3.1658000000e-03 -1.8908000000e-03  5.1527000000e-03
-
-JOB 257
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5169300000e-01 -3.8871000000e-01  4.4731800000e-01  2.0581800000e-01 -8.2569000000e-02 -9.3115700000e-01  1.0477500000e-01  4.6430000000e-02 -2.8690220000e+00 -5.0579700000e-01 -6.3965100000e-01 -3.1387000000e+00  9.6241100000e-01 -2.7075900000e-01 -3.1520110000e+00
-ENERGY -1.526600874772e+02
-FORCES  2.1049000000e-03  3.7200000000e-04 -9.7217000000e-03 -1.9170000000e-03  1.0182000000e-03 -3.1521000000e-03  1.2468000000e-03 -2.8432000000e-03  1.1241800000e-02 -1.1230000000e-03 -2.7388000000e-03 -4.2169000000e-03  4.1995000000e-03  3.2710000000e-03  1.9681000000e-03 -4.5113000000e-03  9.2090000000e-04  3.8807000000e-03
-
-JOB 258
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1615900000e-01  5.6453700000e-01 -2.9094100000e-01  7.7555200000e-01  3.5165200000e-01 -4.3714000000e-01  2.1658170000e+00  1.3949320000e+00 -1.0381650000e+00  2.2593190000e+00  1.2456410000e+00 -1.9790160000e+00  2.8975520000e+00  9.1871300000e-01 -6.4572300000e-01
-ENERGY -1.526600354064e+02
-FORCES  8.9062000000e-03  1.0439800000e-02 -5.9461000000e-03  1.8259000000e-03 -1.8126000000e-03  2.4500000000e-04 -5.6170000000e-03 -8.1804000000e-03  3.1051000000e-03  2.2107000000e-03 -1.5079000000e-03 -4.4130000000e-04 -1.5607000000e-03 -2.1360000000e-04  5.6986000000e-03 -5.7651000000e-03  1.2747000000e-03 -2.6614000000e-03
-
-JOB 259
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2868100000e-01 -5.3543500000e-01 -3.1395200000e-01  1.2938100000e-01  8.5081500000e-01 -4.1905400000e-01 -2.1555220000e+00 -1.5009400000e+00 -7.6085300000e-01 -2.3082220000e+00 -1.3268780000e+00 -1.6896250000e+00 -1.5820780000e+00 -7.9000200000e-01 -4.7456300000e-01
-ENERGY -1.526596296811e+02
-FORCES  1.4172000000e-03 -3.8304000000e-03 -3.2782000000e-03 -3.2358000000e-03  4.2825000000e-03  1.0352000000e-03 -1.6860000000e-03 -5.3816000000e-03  7.8670000000e-04  1.0460600000e-02  9.1315000000e-03  2.5280000000e-03  1.6450000000e-03  2.4320000000e-04  2.8042000000e-03 -8.6009000000e-03 -4.4453000000e-03 -3.8759000000e-03
-
-JOB 260
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1940200000e-01  1.7135400000e-01 -9.3413800000e-01  8.2427200000e-01  2.7472500000e-01  4.0166500000e-01  8.7477000000e-02  2.2825100000e-01 -2.7010810000e+00 -7.4309000000e-02 -6.9811000000e-01 -2.8797250000e+00 -7.4388700000e-01  6.5953500000e-01 -2.8987160000e+00
-ENERGY -1.526610489964e+02
-FORCES  3.2199000000e-03  3.0359000000e-03 -1.4904400000e-02 -2.2623000000e-03 -2.4084000000e-03  1.0848100000e-02 -1.9947000000e-03 -6.4120000000e-04 -2.5624000000e-03 -3.9725000000e-03 -2.5892000000e-03  2.1215000000e-03  4.6930000000e-04  5.6803000000e-03  2.2506000000e-03  4.5403000000e-03 -3.0774000000e-03  2.2466000000e-03
-
-JOB 261
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1872000000e-02  4.4813000000e-02  9.5561900000e-01  7.2634800000e-01  5.5161000000e-01 -2.9047700000e-01  1.6911900000e-01 -2.4460940000e+00 -1.6119630000e+00  6.9215400000e-01 -3.1598990000e+00 -1.2470670000e+00  4.7648100000e-01 -1.6643990000e+00 -1.1529280000e+00
-ENERGY -1.526581669497e+02
-FORCES -2.1960000000e-04  3.1028000000e-03  4.5548000000e-03  3.9280000000e-04  3.3010000000e-04 -4.7406000000e-03 -2.8843000000e-03 -5.5985000000e-03  7.0750000000e-04  6.8210000000e-04  5.3970000000e-03  6.6825000000e-03 -1.7201000000e-03  2.9465000000e-03 -5.7920000000e-04  3.7491000000e-03 -6.1779000000e-03 -6.6251000000e-03
-
-JOB 262
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6993200000e-01  5.5515400000e-01 -3.9903300000e-01 -1.2767500000e-01 -8.5829100000e-01 -4.0406300000e-01  2.2834510000e+00  1.0151520000e+00 -1.2285070000e+00  1.5994630000e+00  4.8720500000e-01 -8.1660400000e-01  1.9990690000e+00  1.9198840000e+00 -1.0988140000e+00
-ENERGY -1.526590936892e+02
-FORCES -2.2596000000e-03  9.3960000000e-04 -3.8427000000e-03  4.3869000000e-03 -2.6393000000e-03  1.7312000000e-03  2.5854000000e-03  5.8116000000e-03  1.0518000000e-03 -1.2340800000e-02 -2.4218000000e-03  8.8841000000e-03  7.2428000000e-03  4.0070000000e-04 -6.6969000000e-03  3.8520000000e-04 -2.0908000000e-03 -1.1274000000e-03
-
-JOB 263
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8164000000e-02 -7.8334000000e-02  9.5155100000e-01  2.9833000000e-02 -9.0239800000e-01 -3.1783700000e-01 -2.5059590000e+00  1.1525850000e+00 -1.3571940000e+00 -1.6910780000e+00  7.9937300000e-01 -1.0002040000e+00 -2.5493990000e+00  2.0463250000e+00 -1.0172320000e+00
-ENERGY -1.526612963146e+02
-FORCES  1.7244000000e-03 -4.5865000000e-03  4.2512000000e-03  2.1020000000e-04 -1.0490000000e-04 -4.5104000000e-03 -8.7480000000e-04  4.8148000000e-03  1.6840000000e-03  7.3389000000e-03  5.4380000000e-04  4.8679000000e-03 -8.1751000000e-03  2.0558000000e-03 -5.4357000000e-03 -2.2360000000e-04 -2.7230000000e-03 -8.5690000000e-04
-
-JOB 264
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4484000000e-02  1.9132900000e-01 -9.3492100000e-01  7.4717400000e-01  4.4773400000e-01  3.9686000000e-01  2.3184170000e+00  9.9440000000e-01  8.4011100000e-01  2.1420890000e+00  6.6138200000e-01  1.7200200000e+00  3.1663710000e+00  6.1696900000e-01  6.0612200000e-01
-ENERGY -1.526567000147e+02
-FORCES  1.6875000000e-02  8.4068000000e-03  6.6910000000e-04 -2.1260000000e-04 -1.0278000000e-03  1.9563000000e-03 -6.9294000000e-03 -2.9505000000e-03  6.0838000000e-03 -3.6097000000e-03 -7.5551000000e-03 -3.3330000000e-03 -2.5093000000e-03  7.0370000000e-04 -7.7812000000e-03 -3.6139000000e-03  2.4228000000e-03  2.4051000000e-03
-
-JOB 265
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3006200000e-01  8.8645000000e-02 -9.4417000000e-01  7.7018400000e-01  4.1500300000e-01  3.8835700000e-01  2.2300980000e+00  1.6038820000e+00  5.3391100000e-01  2.4729260000e+00  1.6047990000e+00  1.4597970000e+00  2.9252020000e+00  1.1056490000e+00  1.0399900000e-01
-ENERGY -1.526590513184e+02
-FORCES  1.0806400000e-02  1.0165600000e-02 -2.7490000000e-04 -1.1550000000e-04 -1.1968000000e-03  2.2460000000e-03 -5.5940000000e-03 -7.9777000000e-03  5.1920000000e-04  2.5858000000e-03 -8.9070000000e-04  6.4510000000e-04 -2.2972000000e-03 -1.6669000000e-03 -5.4048000000e-03 -5.3855000000e-03  1.5665000000e-03  2.2694000000e-03
-
-JOB 266
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5875600000e-01 -4.0182600000e-01 -4.2315100000e-01  1.0377300000e-01  9.3774600000e-01 -1.6154100000e-01 -2.5111000000e-02  2.6949520000e+00 -6.2339900000e-01 -8.2258600000e-01  3.1706160000e+00 -3.9100200000e-01  6.8122200000e-01  3.3236540000e+00 -4.7488000000e-01
-ENERGY -1.526611111582e+02
-FORCES  1.6136000000e-03  1.1877700000e-02 -4.4826000000e-03 -1.6294000000e-03  2.1860000000e-03  1.1955000000e-03  5.3600000000e-04 -9.8339000000e-03  2.7342000000e-03 -1.5573000000e-03 -1.7870000000e-04  2.3599000000e-03  4.9513000000e-03 -1.1742000000e-03 -1.0617000000e-03 -3.9143000000e-03 -2.8769000000e-03 -7.4520000000e-04
-
-JOB 267
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9156000000e-02 -1.9193700000e-01 -9.3520600000e-01 -7.8423800000e-01 -3.9202500000e-01  3.8408100000e-01  1.3084700000e-01 -6.6671000000e-02 -2.8981440000e+00  2.1452700000e-01  8.5468100000e-01 -3.1437880000e+00  8.9646000000e-01 -4.8929100000e-01 -3.2873260000e+00
-ENERGY -1.526622678188e+02
-FORCES -1.8908000000e-03 -2.0397000000e-03 -8.8865000000e-03 -7.0250000000e-04  3.9520000000e-04  1.1110400000e-02  2.3130000000e-03  1.0836000000e-03 -2.1297000000e-03  3.9339000000e-03  2.9298000000e-03 -2.3195000000e-03  9.0000000000e-06 -4.9611000000e-03  6.4150000000e-04 -3.6626000000e-03  2.5922000000e-03  1.5838000000e-03
-
-JOB 268
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3150000000e-03 -8.8745500000e-01 -3.5867000000e-01  7.5587800000e-01  4.2532900000e-01 -4.0493900000e-01 -2.6381100000e-01  3.1533000000e-02  2.8680860000e+00 -2.4810000000e-03 -1.0159000000e-02  1.9481950000e+00  3.1442400000e-01  6.9056800000e-01  3.2522070000e+00
-ENERGY -1.526607268260e+02
-FORCES  1.3714000000e-03 -1.7649000000e-03 -3.7102000000e-03  7.4340000000e-04  4.9087000000e-03  2.0310000000e-03 -3.5075000000e-03 -2.4949000000e-03  2.8013000000e-03  2.0996000000e-03  2.1154000000e-03 -9.9724000000e-03  6.2630000000e-04 -8.9630000000e-04  1.0975600000e-02 -1.3332000000e-03 -1.8679000000e-03 -2.1254000000e-03
-
-JOB 269
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8396100000e-01  5.4236700000e-01  3.9276800000e-01  8.1578500000e-01  4.5696900000e-01  2.0471200000e-01  2.1049720000e+00  1.3341520000e+00  9.9765200000e-01  2.9141210000e+00  9.7114000000e-01  6.3746900000e-01  2.1391640000e+00  2.2643950000e+00  7.7469100000e-01
-ENERGY -1.526587770610e+02
-FORCES  1.2001000000e-02  1.0375900000e-02  9.1319000000e-03  1.6723000000e-03 -7.5690000000e-04 -1.4045000000e-03 -4.9005000000e-03 -5.3595000000e-03 -6.1619000000e-03 -2.2124000000e-03 -7.9200000000e-04 -3.0181000000e-03 -6.0305000000e-03  2.0627000000e-03  6.4920000000e-04 -5.2990000000e-04 -5.5302000000e-03  8.0340000000e-04
-
-JOB 270
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7092200000e-01  4.0196000000e-02 -9.4095800000e-01 -7.7096100000e-01  4.0100800000e-01  4.0130300000e-01 -2.1820910000e+00  9.8178800000e-01  9.0480800000e-01 -2.2645230000e+00  1.1772120000e+00  1.8382140000e+00 -2.3593060000e+00  1.8151690000e+00  4.6857100000e-01
-ENERGY -1.526562527007e+02
-FORCES -2.1776400000e-02  8.0712000000e-03  7.4387000000e-03 -7.6970000000e-04  1.3869000000e-03  2.5688000000e-03  7.4381000000e-03 -1.2202000000e-03 -2.9065000000e-03  1.2273800000e-02 -3.0659000000e-03 -3.6514000000e-03  8.7870000000e-04 -9.9700000000e-05 -5.9260000000e-03  1.9555000000e-03 -5.0723000000e-03  2.4765000000e-03
-
-JOB 271
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5998800000e-01 -1.8113700000e-01  9.2618800000e-01 -1.3061200000e-01 -8.6245600000e-01 -3.9413400000e-01  2.0839500000e-01 -2.5963130000e+00 -1.4612390000e+00 -4.5194300000e-01 -3.0185580000e+00 -9.1178900000e-01  1.0352740000e+00 -2.9976680000e+00 -1.1940030000e+00
-ENERGY -1.526583665731e+02
-FORCES  1.4107000000e-03 -7.9406000000e-03 -2.8514000000e-03 -4.7520000000e-04 -4.8060000000e-04 -3.4749000000e-03 -3.3051000000e-03  6.4015000000e-03  7.4070000000e-03  3.2842000000e-03 -5.4059000000e-03  4.8230000000e-04  3.9147000000e-03  5.7693000000e-03 -8.7460000000e-04 -4.8293000000e-03  1.6563000000e-03 -6.8840000000e-04
-
-JOB 272
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7350100000e-01 -8.9663500000e-01 -2.8666100000e-01 -8.9040400000e-01  1.8029600000e-01 -3.0150700000e-01 -2.2957800000e-01 -2.3263500000e-01  2.7553750000e+00 -3.3889100000e-01 -1.9957400000e-01  1.8050130000e+00  6.0682000000e-01  2.0422100000e-01  2.9160820000e+00
-ENERGY -1.526599304807e+02
-FORCES -8.3090000000e-04 -2.3484000000e-03 -1.0565000000e-03 -1.8469000000e-03  5.0256000000e-03  2.7474000000e-03  4.7180000000e-03 -2.1504000000e-03  4.2188000000e-03  4.7153000000e-03  3.8052000000e-03 -1.4554900000e-02 -4.7106000000e-03 -2.8001000000e-03  8.1145000000e-03 -2.0448000000e-03 -1.5319000000e-03  5.3070000000e-04
-
-JOB 273
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0277000000e-01  2.7326800000e-01  1.6297800000e-01  1.6770000000e-02 -9.2704100000e-01  2.3779100000e-01 -1.0979000000e-01 -2.5275500000e+00  7.5365300000e-01 -8.3215300000e-01 -3.0716690000e+00  4.4003200000e-01  6.7126000000e-01 -2.9140170000e+00  3.5762700000e-01
-ENERGY -1.526581077287e+02
-FORCES -4.0103000000e-03 -1.8341200000e-02  7.4134000000e-03  1.7745000000e-03 -1.3741000000e-03 -6.8100000000e-04  4.1818000000e-03  7.1620000000e-03 -4.4090000000e-03 -9.6810000000e-04  5.8176000000e-03 -5.0079000000e-03  4.3021000000e-03  2.6711000000e-03  1.5524000000e-03 -5.2799000000e-03  4.0646000000e-03  1.1321000000e-03
-
-JOB 274
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0739300000e-01  3.5243100000e-01  3.7435400000e-01  1.8365000000e-02 -9.1334300000e-01  2.8583100000e-01  2.2274620000e+00  1.7388830000e+00  8.7176600000e-01  1.6744800000e+00  1.0096680000e+00  5.9125100000e-01  1.9823650000e+00  2.4618890000e+00  2.9434000000e-01
-ENERGY -1.526611426286e+02
-FORCES -4.5329000000e-03 -1.4545000000e-03  2.7908000000e-03  3.7087000000e-03 -2.2450000000e-03 -2.1152000000e-03  1.9120000000e-04  5.0034000000e-03 -7.9970000000e-04 -8.0000000000e-03 -4.1097000000e-03 -5.8463000000e-03  7.9041000000e-03  4.2724000000e-03  3.7289000000e-03  7.2890000000e-04 -1.4667000000e-03  2.2415000000e-03
-
-JOB 275
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8436300000e-01 -3.7531800000e-01 -4.0017900000e-01 -1.3438000000e-02  9.2032500000e-01 -2.6277800000e-01  4.2236400000e-01  2.8482100000e-01  2.5183800000e+00  2.9970100000e-01  9.3316000000e-02  1.5885890000e+00  1.0995590000e+00 -3.2909100000e-01  2.8025470000e+00
-ENERGY -1.526583301530e+02
-FORCES -1.0971000000e-03  2.1391000000e-03  1.2425400000e-02  4.1440000000e-03  3.2761000000e-03  1.0268000000e-03 -8.5740000000e-04 -5.8100000000e-03  2.3281000000e-03 -3.0769000000e-03 -4.7656000000e-03 -2.0721600000e-02  2.9176000000e-03  4.3126000000e-03  7.5990000000e-03 -2.0302000000e-03  8.4780000000e-04 -2.6577000000e-03
-
-JOB 276
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3980800000e-01 -5.1542800000e-01  3.2132600000e-01  7.7153500000e-01 -5.1624700000e-01  2.3335700000e-01  5.7682000000e-02 -6.0244000000e-02  4.3511870000e+00  7.7877000000e-01 -5.9412400000e-01  4.0176680000e+00  1.4696900000e-01 -1.0410200000e-01  5.3032040000e+00
-ENERGY -1.526536784850e+02
-FORCES -4.9300000000e-04 -3.7195000000e-03  2.9115000000e-03  3.2795000000e-03  1.7026000000e-03 -1.9884000000e-03 -2.8114000000e-03  1.8920000000e-03 -7.8820000000e-04  3.5407000000e-03 -1.7250000000e-03  2.9276000000e-03 -3.1343000000e-03  1.7043000000e-03  9.6170000000e-04 -3.8140000000e-04  1.4560000000e-04 -4.0242000000e-03
-
-JOB 277
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6568300000e-01 -2.2216900000e-01  3.4273300000e-01  2.0246800000e-01  8.4953000000e-01  3.9183900000e-01 -2.4019180000e+00 -1.0416110000e+00  7.1440200000e-01 -2.6167900000e+00 -9.1451800000e-01  1.6384740000e+00 -3.1230330000e+00 -6.2667200000e-01  2.4106300000e-01
-ENERGY -1.526596035077e+02
-FORCES -1.2672700000e-02 -4.8899000000e-03  4.4143000000e-03  9.2090000000e-03  6.6658000000e-03 -1.7199000000e-03 -2.6497000000e-03 -2.9905000000e-03 -1.9980000000e-04 -2.5750000000e-04  1.4990000000e-03 -4.2480000000e-04  1.8863000000e-03  1.0339000000e-03 -5.5855000000e-03  4.4845000000e-03 -1.3183000000e-03  3.5157000000e-03
-
-JOB 278
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2713500000e-01  4.4499100000e-01  4.3530500000e-01  3.9444000000e-02 -8.6036100000e-01  4.1767900000e-01 -2.1169630000e+00  3.2914760000e+00  7.2664400000e-01 -2.9268030000e+00  3.7577810000e+00  9.3389000000e-01 -1.4255630000e+00  3.8261600000e+00  1.1169130000e+00
-ENERGY -1.526563816071e+02
-FORCES -3.7687000000e-03 -6.7050000000e-04  3.1503000000e-03  4.4232000000e-03 -3.8371000000e-03 -1.4410000000e-03 -1.1500000000e-04  3.3226000000e-03 -1.5783000000e-03 -7.9820000000e-04  5.4406000000e-03  1.8987000000e-03  3.4952000000e-03 -1.8122000000e-03 -7.2400000000e-04 -3.2365000000e-03 -2.4434000000e-03 -1.3057000000e-03
-
-JOB 279
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4452500000e-01  1.2948500000e-01  8.3777300000e-01 -8.6775000000e-02  8.8089900000e-01 -3.6430500000e-01 -1.9373370000e+00 -9.9366800000e-01  3.1572160000e+00 -2.2435870000e+00 -8.5129400000e-01  4.0528570000e+00 -2.6728370000e+00 -7.2522800000e-01  2.6065690000e+00
-ENERGY -1.526551845467e+02
-FORCES  1.7951000000e-03  3.4237000000e-03  3.1394000000e-03 -8.9300000000e-04  3.1520000000e-04 -4.6875000000e-03 -1.0100000000e-05 -3.5005000000e-03  1.4447000000e-03 -4.9558000000e-03  1.0287000000e-03  5.6740000000e-04  1.4611000000e-03 -3.9470000000e-04 -3.7682000000e-03  2.6027000000e-03 -8.7250000000e-04  3.3043000000e-03
-
-JOB 280
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7210100000e-01 -4.5919500000e-01 -5.0363900000e-01  7.4799800000e-01 -5.9726400000e-01  2.4750000000e-03 -5.7999400000e-01  1.5286000000e-01  2.9612630000e+00 -1.3352600000e+00 -4.2734400000e-01  3.0570140000e+00 -3.9689500000e-01  1.5538700000e-01  2.0217410000e+00
-ENERGY -1.526609085727e+02
-FORCES  9.2260000000e-04 -3.9972000000e-03 -4.8379000000e-03  3.4226000000e-03  1.7042000000e-03  3.0926000000e-03 -4.7146000000e-03  2.8334000000e-03  7.9410000000e-04 -1.1678000000e-03 -1.1063000000e-03 -9.0223000000e-03  2.3702000000e-03  1.5642000000e-03 -6.1640000000e-04 -8.3290000000e-04 -9.9840000000e-04  1.0590100000e-02
-
-JOB 281
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6479100000e-01  6.9088000000e-02  9.4037400000e-01  8.0625700000e-01  4.9671400000e-01 -1.3948600000e-01  2.3293440000e+00  1.3481490000e+00 -9.6412400000e-01  3.1176590000e+00  9.2305200000e-01 -6.2636300000e-01  2.4450510000e+00  2.2737420000e+00 -7.4936400000e-01
-ENERGY -1.526606403917e+02
-FORCES  8.0962000000e-03  5.5493000000e-03 -1.9320000000e-03  1.8256000000e-03  5.9050000000e-04 -3.1007000000e-03 -8.2048000000e-03 -5.5434000000e-03  5.9185000000e-03  3.6776000000e-03  2.1111000000e-03 -1.5730000000e-04 -4.9770000000e-03  2.5777000000e-03 -5.7880000000e-04 -4.1760000000e-04 -5.2852000000e-03 -1.4960000000e-04
-
-JOB 282
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8321100000e-01  4.9518000000e-01 -2.4002000000e-01  7.2895800000e-01  5.6639300000e-01 -2.5308400000e-01 -2.1452560000e+00  1.6529230000e+00 -7.0795700000e-01 -2.1304370000e+00  1.5297730000e+00 -1.6570860000e+00 -2.9487620000e+00  1.2183130000e+00 -4.2208300000e-01
-ENERGY -1.526604311268e+02
-FORCES -8.5133000000e-03  1.1150700000e-02 -2.6547000000e-03  6.5012000000e-03 -8.5433000000e-03  4.0750000000e-04 -2.2060000000e-03 -1.6768000000e-03 -8.6400000000e-05 -2.6002000000e-03 -1.5956000000e-03 -1.7289000000e-03  1.3301000000e-03 -6.5820000000e-04  6.0739000000e-03  5.4882000000e-03  1.3231000000e-03 -2.0114000000e-03
-
-JOB 283
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7740300000e-01 -8.6605000000e-01  2.9872400000e-01  1.0440200000e-01 -2.9351000000e-02 -9.5103700000e-01 -2.1123580000e+00  1.5643090000e+00  8.1185700000e-01 -2.9190430000e+00  1.1346630000e+00  5.2743600000e-01 -1.4228970000e+00  9.2636800000e-01  6.2771600000e-01
-ENERGY -1.526607420999e+02
-FORCES -1.5112000000e-03  3.7050000000e-04 -1.5329000000e-03 -1.6018000000e-03  4.0871000000e-03 -2.6332000000e-03 -3.7200000000e-04 -1.3868000000e-03  5.0243000000e-03  8.5885000000e-03 -8.9822000000e-03 -3.8960000000e-03  2.9544000000e-03  5.5570000000e-04  2.3580000000e-04 -8.0579000000e-03  5.3557000000e-03  2.8019000000e-03
-
-JOB 284
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1067100000e-01  4.8883000000e-02  9.4952300000e-01 -1.1783200000e-01 -9.2688000000e-01 -2.0794400000e-01 -6.4098400000e-01 -2.3952700000e-01  2.9142280000e+00 -1.4266310000e+00  1.8341200000e-01  3.2608010000e+00  8.3375000000e-02  2.9093700000e-01  3.2461080000e+00
-ENERGY -1.526607905566e+02
-FORCES -3.3973000000e-03 -4.7270000000e-03  8.6667000000e-03  4.8049000000e-03  3.1054000000e-03 -7.8735000000e-03  5.1470000000e-04  2.8763000000e-03 -2.3370000000e-04 -2.3594000000e-03  2.9216000000e-03  4.7200000000e-03  4.3912000000e-03 -1.9093000000e-03 -1.0784000000e-03 -3.9540000000e-03 -2.2669000000e-03 -4.2010000000e-03
-
-JOB 285
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1475500000e-01  1.4679200000e-01  9.3889000000e-01  7.6965600000e-01 -5.6568500000e-01 -6.2154000000e-02  5.7321900000e-01  3.0287600000e-01  2.7608260000e+00  1.2760150000e+00 -2.2934300000e-01  3.1337240000e+00  6.6319400000e-01  1.1538440000e+00  3.1897670000e+00
-ENERGY -1.526596449137e+02
-FORCES  4.9415000000e-03 -4.0990000000e-04  1.2002000000e-02 -3.5371000000e-03  4.6400000000e-05 -7.5226000000e-03 -1.8217000000e-03  9.2630000000e-04 -7.6820000000e-04  3.1394000000e-03  8.0500000000e-04 -6.1110000000e-04 -2.7922000000e-03  3.1344000000e-03 -1.5204000000e-03  7.0200000000e-05 -4.5022000000e-03 -1.5797000000e-03
-
-JOB 286
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1740000000e-03  9.4710400000e-01  1.3862100000e-01  9.2470000000e-01 -2.4469500000e-01  3.5864000000e-02 -2.0526620000e+00 -1.4866870000e+00  1.2148040000e+00 -1.3222580000e+00 -9.2127500000e-01  9.6370500000e-01 -2.8190530000e+00 -1.0844780000e+00  8.0601900000e-01
-ENERGY -1.526607272058e+02
-FORCES  2.4322000000e-03  5.7700000000e-05  7.8490000000e-04 -2.6160000000e-04 -5.2386000000e-03 -3.6430000000e-04 -4.4891000000e-03  2.4599000000e-03 -1.3020000000e-04  7.3430000000e-03  7.1907000000e-03 -7.3294000000e-03 -7.2425000000e-03 -3.9619000000e-03  5.6444000000e-03  2.2180000000e-03 -5.0780000000e-04  1.3946000000e-03
-
-JOB 287
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6429000000e-02 -1.7263000000e-02  9.5635100000e-01  7.6747200000e-01  5.3544100000e-01 -2.0130100000e-01  1.1599800000e-01 -1.1738000000e-02  2.7479700000e+00 -5.8586500000e-01  5.5795000000e-01  3.0627340000e+00  9.0368600000e-01  3.1543800000e-01  3.1824060000e+00
-ENERGY -1.526598761463e+02
-FORCES  3.5074000000e-03  6.0430000000e-04  1.4686200000e-02 -3.1959000000e-03  1.3907000000e-03 -9.4548000000e-03 -1.8125000000e-03 -1.2899000000e-03  1.0073000000e-03  1.5841000000e-03  2.6872000000e-03 -1.3935000000e-03  4.4985000000e-03 -2.6352000000e-03 -2.8743000000e-03 -4.5816000000e-03 -7.5710000000e-04 -1.9709000000e-03
-
-JOB 288
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2383000000e-01 -3.6900300000e-01 -5.0610200000e-01  7.8733700000e-01 -2.9033000000e-01 -4.6048000000e-01  2.3329140000e+00 -8.8792800000e-01 -1.1040920000e+00  2.4434230000e+00 -1.0932370000e+00 -2.0324600000e+00  3.1819070000e+00 -5.3888100000e-01 -8.3278200000e-01
-ENERGY -1.526604072646e+02
-FORCES  1.0785400000e-02 -5.7784000000e-03 -6.5645000000e-03  2.9511000000e-03  6.5670000000e-04  3.7760000000e-04 -8.6864000000e-03  3.2152000000e-03  3.2701000000e-03 -1.2765000000e-03  3.0309000000e-03  1.0098000000e-03 -1.2730000000e-04  1.1909000000e-03  4.7593000000e-03 -3.6463000000e-03 -2.3151000000e-03 -2.8522000000e-03
-
-JOB 289
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3323900000e-01 -3.2247300000e-01 -3.4344700000e-01  6.4399000000e-02  8.9651700000e-01 -3.2915300000e-01  4.1221100000e-01  1.0164500000e-01  3.0425260000e+00  1.9727300000e-01 -1.5197500000e-01  2.1449120000e+00  3.1654400000e-01  1.0540030000e+00  3.0522640000e+00
-ENERGY -1.526601813655e+02
-FORCES -2.3972000000e-03  2.7627000000e-03 -4.9909000000e-03  4.0256000000e-03  2.0015000000e-03  2.1393000000e-03 -9.4140000000e-04 -4.1783000000e-03  1.9127000000e-03 -1.2686000000e-03  2.0971000000e-03 -8.8681000000e-03  2.0410000000e-04 -1.4490000000e-04  9.4932000000e-03  3.7750000000e-04 -2.5380000000e-03  3.1380000000e-04
-
-JOB 290
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1008100000e-01 -5.0178900000e-01  9.0598000000e-02 -2.7572400000e-01  9.1441500000e-01  6.3667000000e-02 -2.1318030000e+00 -1.4164780000e+00  5.3409600000e-01 -2.2192160000e+00 -2.3223980000e+00  2.3761600000e-01 -1.8640480000e+00 -1.4885720000e+00  1.4502520000e+00
-ENERGY -1.526588273640e+02
-FORCES -1.7336500000e-02 -9.1607000000e-03  1.0180000000e-03  8.5050000000e-03  4.9745000000e-03  2.9059000000e-03 -6.4910000000e-04 -3.2725000000e-03  8.2600000000e-04  8.6017000000e-03  1.6413000000e-03 -8.6420000000e-04  9.1360000000e-04  4.6390000000e-03  2.8475000000e-03 -3.4600000000e-05  1.1784000000e-03 -6.7332000000e-03
-
-JOB 291
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0083300000e-01  5.4210600000e-01  3.6219600000e-01  8.0599000000e-01  4.5440700000e-01  2.4520600000e-01  2.5149760000e+00  1.3652260000e+00  6.4343300000e-01  3.4237670000e+00  1.0686590000e+00  5.9464600000e-01  2.5478420000e+00  2.2842270000e+00  3.7774500000e-01
-ENERGY -1.526614345906e+02
-FORCES  6.5963000000e-03  5.1932000000e-03  3.7099000000e-03  2.5704000000e-03 -9.7150000000e-04 -1.2910000000e-03 -9.5013000000e-03 -3.4921000000e-03 -2.3063000000e-03  3.9601000000e-03  7.9840000000e-04 -1.7733000000e-03 -3.5913000000e-03  2.9519000000e-03  2.1040000000e-04 -3.4200000000e-05 -4.4800000000e-03  1.4503000000e-03
-
-JOB 292
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0405200000e-01  5.3571700000e-01  3.6544500000e-01  7.9654500000e-01  3.3995700000e-01  4.0764800000e-01  2.2824960000e+00  1.1505770000e+00  8.6679700000e-01  3.0675410000e+00  7.9742300000e-01  4.4820500000e-01  2.3645600000e+00  2.0992380000e+00  7.6912700000e-01
-ENERGY -1.526600112571e+02
-FORCES  1.2063600000e-02  7.9647000000e-03  6.7121000000e-03  2.7267000000e-03 -4.0780000000e-04 -8.8350000000e-04 -7.6630000000e-03 -5.2100000000e-03 -2.9533000000e-03 -3.6061000000e-03 -3.3830000000e-04 -5.4241000000e-03 -4.0269000000e-03  2.7596000000e-03  2.0175000000e-03  5.0570000000e-04 -4.7681000000e-03  5.3130000000e-04
-
-JOB 293
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0990300000e-01 -7.6510000000e-03 -9.5083900000e-01  3.7581000000e-02  9.2625300000e-01  2.3848300000e-01  2.2702090000e+00 -1.3082590000e+00  5.6988700000e-01  1.5125120000e+00 -7.4243800000e-01  4.2165700000e-01  3.0111400000e+00 -8.1387200000e-01  2.1940900000e-01
-ENERGY -1.526584140026e+02
-FORCES  3.0014000000e-03 -3.8200000000e-04 -1.6926000000e-03  1.9270000000e-03  5.5340000000e-04  6.4985000000e-03  1.9943000000e-03 -5.7256000000e-03 -1.8830000000e-03 -1.3713000000e-02  9.0802000000e-03 -2.5551000000e-03  1.0800300000e-02 -3.4524000000e-03 -5.1180000000e-04 -4.0101000000e-03 -7.3500000000e-05  1.4390000000e-04
-
-JOB 294
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2046000000e-01 -1.9439800000e-01 -9.2947900000e-01  8.5230900000e-01  3.2554700000e-01  2.8951600000e-01  2.3127850000e+00  1.0476330000e+00  8.1363000000e-01  2.9540720000e+00  5.9166200000e-01  2.6858600000e-01  2.5091290000e+00  7.6129900000e-01  1.7056470000e+00
-ENERGY -1.526582996709e+02
-FORCES  1.5608000000e-02  8.5529000000e-03  4.0930000000e-03  1.8030000000e-03  8.1490000000e-04  2.9318000000e-03 -7.2539000000e-03 -7.1056000000e-03 -3.8094000000e-03 -2.8909000000e-03 -4.2624000000e-03  1.8560000000e-04 -5.9962000000e-03  1.2180000000e-03  2.4566000000e-03 -1.2700000000e-03  7.8210000000e-04 -5.8576000000e-03
-
-JOB 295
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3614900000e-01 -3.0856000000e-02  8.9570300000e-01  6.3230800000e-01  5.3908300000e-01 -4.7519300000e-01 -2.3682870000e+00  1.2094260000e+00 -8.8365600000e-01 -2.4077110000e+00  2.1000180000e+00 -5.3505400000e-01 -1.6113050000e+00  8.1532800000e-01 -4.5018500000e-01
-ENERGY -1.526606948513e+02
-FORCES  2.5473000000e-03  1.3904000000e-03  3.6850000000e-04 -1.2869000000e-03  1.1302000000e-03 -4.9126000000e-03 -4.1956000000e-03 -1.8882000000e-03  3.6458000000e-03  9.4082000000e-03 -4.1715000000e-03  5.8828000000e-03  1.3975000000e-03 -2.9026000000e-03 -7.1560000000e-04 -7.8705000000e-03  6.4418000000e-03 -4.2688000000e-03
-
-JOB 296
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4953500000e-01  1.5116900000e-01  4.1433100000e-01  1.9447200000e-01 -4.6875000000e-02 -9.3606400000e-01 -7.3700200000e-01  1.0006100000e-01 -2.6981100000e+00 -1.5091200000e+00  6.4900000000e-01 -2.8349780000e+00 -1.0773000000e-02  6.1562700000e-01 -3.0488450000e+00
-ENERGY -1.526570230530e+02
-FORCES -1.4657000000e-03 -9.3100000000e-04 -8.4416000000e-03 -2.8248000000e-03  3.0000000000e-06 -3.8669000000e-03  6.6221000000e-03  1.5146000000e-03  6.9164000000e-03 -4.2897000000e-03  5.1026000000e-03  1.3849000000e-03  3.9772000000e-03 -2.3847000000e-03 -1.3955000000e-03 -2.0190000000e-03 -3.3045000000e-03  5.4026000000e-03
-
-JOB 297
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1725700000e-01 -5.4560300000e-01  3.2263200000e-01  7.8732700000e-01 -3.8851200000e-01  3.8132200000e-01 -2.7506700000e-01  2.8657540000e+00  4.2345200000e-01 -1.0717500000e+00  3.1179160000e+00 -4.3392000000e-02 -2.2862900000e-01  1.9150020000e+00  3.2272300000e-01
-ENERGY -1.526616958870e+02
-FORCES  1.2672000000e-03 -3.7862000000e-03  2.5650000000e-03  3.6968000000e-03  2.9834000000e-03 -1.4607000000e-03 -4.6171000000e-03  1.3870000000e-03 -1.5840000000e-03 -9.2060000000e-04 -9.7270000000e-03 -3.6562000000e-03  2.0043000000e-03 -1.3175000000e-03  1.6219000000e-03 -1.4307000000e-03  1.0460300000e-02  2.5141000000e-03
-
-JOB 298
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3794800000e-01  3.8012700000e-01 -2.6377700000e-01  6.5738800000e-01  5.9769700000e-01 -3.5613400000e-01 -7.5819000000e-01  2.1529000000e-01  2.6570760000e+00 -4.6594700000e-01  2.1470600000e-01  1.7455800000e+00 -8.2872700000e-01 -7.1118600000e-01  2.8870750000e+00
-ENERGY -1.526603647377e+02
-FORCES  2.6300000000e-05  2.9998000000e-03 -7.9270000000e-04  5.2914000000e-03 -1.5796000000e-03  4.8561000000e-03 -4.3151000000e-03 -2.7226000000e-03  1.7727000000e-03  5.9857000000e-03 -4.6506000000e-03 -1.2271600000e-02 -6.8557000000e-03  3.3508000000e-03  7.2407000000e-03 -1.3260000000e-04  2.6022000000e-03 -8.0520000000e-04
-
-JOB 299
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5122500000e-01 -3.0550700000e-01 -3.1354800000e-01  5.4706000000e-02  9.0734000000e-01 -2.9995400000e-01 -2.3515610000e+00 -1.1751900000e+00 -6.7590600000e-01 -2.2731450000e+00 -1.0207070000e+00 -1.6172980000e+00 -3.0549010000e+00 -5.9009800000e-01 -3.9446200000e-01
-ENERGY -1.526578560217e+02
-FORCES -1.3304700000e-02 -6.0310000000e-03 -2.9636000000e-03  8.7357000000e-03  7.5884000000e-03 -1.5898000000e-03 -2.5712000000e-03 -3.5354000000e-03 -2.9200000000e-05 -6.4590000000e-04  1.8609000000e-03 -3.4460000000e-04  2.1977000000e-03  2.0499000000e-03  7.1661000000e-03  5.5884000000e-03 -1.9328000000e-03 -2.2389000000e-03
-
-JOB 300
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3870000000e-03  3.3639700000e-01  8.9613100000e-01  7.7084200000e-01  3.9429200000e-01 -4.0812800000e-01 -2.0804450000e+00  1.1207730000e+00 -1.2564550000e+00 -1.8947410000e+00  1.2915620000e+00 -2.1798060000e+00 -1.3565100000e+00  5.6675200000e-01 -9.6454800000e-01
-ENERGY -1.526591612683e+02
-FORCES -3.7746000000e-03  7.4088000000e-03  5.1740000000e-04  1.4875000000e-03 -1.8429000000e-03 -4.7413000000e-03 -5.1279000000e-03 -1.4509000000e-03  1.2402000000e-03  1.2290300000e-02 -7.9718000000e-03  6.3675000000e-03  1.8517000000e-03 -1.1163000000e-03  3.4251000000e-03 -6.7271000000e-03  4.9731000000e-03 -6.8088000000e-03
-
-JOB 301
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9010000000e-01 -4.1758300000e-01  3.4292700000e-01 -8.4741000000e-02  9.1899800000e-01  2.5395600000e-01  2.2274740000e+00 -1.3641990000e+00  1.1133190000e+00  1.4115940000e+00 -8.8206600000e-01  9.7871000000e-01  2.1500900000e+00 -2.1303460000e+00  5.4475600000e-01
-ENERGY -1.526598808626e+02
-FORCES -2.2430000000e-03  2.8242000000e-03  2.7760000000e-04  5.8687000000e-03  1.4825000000e-03 -6.8470000000e-04  2.2780000000e-04 -5.4902000000e-03 -4.9670000000e-04 -9.6079000000e-03  4.2935000000e-03 -7.9886000000e-03  5.6207000000e-03 -4.6756000000e-03  6.7181000000e-03  1.3370000000e-04  1.5656000000e-03  2.1743000000e-03
-
-JOB 302
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8561600000e-01  1.7314200000e-01  3.1927800000e-01  1.0962800000e-01 -9.4588500000e-01  9.7548000000e-02  2.2375440000e+00  1.2338700000e+00  4.7548400000e-01  1.4500960000e+00  7.3391600000e-01  2.6053600000e-01  2.9282170000e+00  8.3210500000e-01 -5.1571000000e-02
-ENERGY -1.526576390944e+02
-FORCES  7.4807000000e-03  6.2127000000e-03  5.0555000000e-03  3.8583000000e-03 -3.3299000000e-03 -1.9186000000e-03  4.5900000000e-05  5.6502000000e-03 -3.6760000000e-04 -1.6569600000e-02 -7.9198000000e-03 -4.5112000000e-03  8.8790000000e-03  2.9030000000e-04  5.4210000000e-04 -3.6943000000e-03 -9.0340000000e-04  1.1997000000e-03
-
-JOB 303
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0193000000e-02  1.0726800000e-01  9.5111600000e-01  7.9949900000e-01  4.3320300000e-01 -2.9894700000e-01  2.3993680000e+00  1.1354560000e+00 -7.9806800000e-01  2.3755190000e+00  1.0891400000e+00 -1.7538490000e+00  3.0424870000e+00  4.7445200000e-01 -5.4174100000e-01
-ENERGY -1.526608765889e+02
-FORCES  1.2231200000e-02  7.9493000000e-03 -1.3190000000e-03  9.2150000000e-04 -5.8770000000e-04 -2.6525000000e-03 -8.9328000000e-03 -6.2130000000e-03  1.3157000000e-03  8.6450000000e-04 -3.5362000000e-03 -1.9405000000e-03 -6.6340000000e-04 -8.7820000000e-04  5.9041000000e-03 -4.4211000000e-03  3.2657000000e-03 -1.3078000000e-03
-
-JOB 304
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8419900000e-01  5.7953100000e-01 -3.3503400000e-01 -8.1654300000e-01  4.7018600000e-01 -1.6856500000e-01 -2.2462200000e-01 -2.6686090000e+00 -7.7124400000e-01  6.0354200000e-01 -3.0805300000e+00 -5.2487700000e-01 -1.6248900000e-01 -1.7786050000e+00 -4.2445300000e-01
-ENERGY -1.526611833688e+02
-FORCES -3.2400000000e-05  2.9940000000e-04 -3.9855000000e-03 -3.8907000000e-03 -1.8344000000e-03  1.9590000000e-03  4.7422000000e-03 -2.2193000000e-03  4.0500000000e-04  3.5836000000e-03  1.1490700000e-02  4.8525000000e-03 -1.8598000000e-03  1.8680000000e-03 -8.4650000000e-04 -2.5430000000e-03 -9.6044000000e-03 -2.3846000000e-03
-
-JOB 305
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3536600000e-01  3.9069800000e-01  2.5641800000e-01 -9.4277000000e-02 -9.2866100000e-01  2.1197500000e-01  2.3022850000e+00  1.4847260000e+00  7.8818000000e-01  1.4500150000e+00  1.1018170000e+00  5.8021900000e-01  2.9311330000e+00  9.4536500000e-01  3.0873200000e-01
-ENERGY -1.526609600619e+02
-FORCES -1.3144000000e-03 -2.3355000000e-03  2.3585000000e-03  4.8606000000e-03 -2.1309000000e-03 -6.0790000000e-04 -4.9020000000e-04  4.5452000000e-03 -1.4168000000e-03 -7.8044000000e-03 -8.1863000000e-03 -5.5267000000e-03  5.9093000000e-03  6.8117000000e-03  3.4271000000e-03 -1.1608000000e-03  1.2959000000e-03  1.7659000000e-03
-
-JOB 306
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1494000000e-02 -9.4119900000e-01 -1.6927800000e-01  6.5462600000e-01  3.2625900000e-01 -6.1745600000e-01 -3.8381800000e-01 -2.5179270000e+00 -8.0161600000e-01 -4.6885800000e-01 -2.4589970000e+00 -1.7532080000e+00 -1.2591310000e+00 -2.7569750000e+00 -4.9679600000e-01
-ENERGY -1.526591150761e+02
-FORCES  1.1920000000e-04 -1.7131900000e-02 -6.0212000000e-03  6.5700000000e-05  9.5281000000e-03  3.3087000000e-03 -2.2444000000e-03 -1.9364000000e-03  5.9130000000e-04 -3.2734000000e-03  7.4667000000e-03 -9.6020000000e-04  4.2350000000e-04  1.9200000000e-05  5.1624000000e-03  4.9093000000e-03  2.0543000000e-03 -2.0811000000e-03
-
-JOB 307
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7932200000e-01 -5.4383400000e-01  3.9874600000e-01  3.2095000000e-01  8.9628000000e-01  9.9521000000e-02  2.0205250000e+00 -1.5763060000e+00  1.1340200000e+00  1.9837430000e+00 -1.1809720000e+00  2.0049910000e+00  2.7005780000e+00 -1.0831540000e+00  6.7515100000e-01
-ENERGY -1.526583669318e+02
-FORCES  9.3927000000e-03 -6.9954000000e-03  5.3242000000e-03 -5.2218000000e-03  9.5992000000e-03 -3.2712000000e-03  6.7070000000e-04 -3.7614000000e-03  5.2630000000e-04  3.0427000000e-03  1.9131000000e-03  1.7939000000e-03 -1.1664000000e-03 -2.2380000000e-04 -6.6953000000e-03 -6.7178000000e-03 -5.3180000000e-04  2.3222000000e-03
-
-JOB 308
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6689000000e-01  1.8060200000e-01 -9.2507400000e-01 -6.7532700000e-01  4.9264500000e-01  4.6633300000e-01  2.3900960000e+00  1.1249100000e+00  7.9667700000e-01  1.6042270000e+00  7.2367300000e-01  4.2566500000e-01  3.0903830000e+00  8.8810300000e-01  1.8860500000e-01
-ENERGY -1.526606818787e+02
-FORCES -1.5900000000e-03  3.6026000000e-03  5.1910000000e-04  2.1303000000e-03 -1.7380000000e-04  5.2492000000e-03  3.9022000000e-03 -2.3468000000e-03 -3.4074000000e-03 -1.0531300000e-02 -7.5984000000e-03 -4.8699000000e-03  9.3784000000e-03  6.2338000000e-03  1.8226000000e-03 -3.2896000000e-03  2.8250000000e-04  6.8640000000e-04
-
-JOB 309
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8694000000e-02 -1.0315700000e-01 -9.4914300000e-01  1.8201600000e-01  9.2695600000e-01  1.5445200000e-01 -1.9791380000e+00 -1.4545910000e+00  1.0698610000e+00 -1.8901490000e+00 -1.3192220000e+00  2.0132530000e+00 -1.2205890000e+00 -1.0103530000e+00  6.9106400000e-01
-ENERGY -1.526596320759e+02
-FORCES -6.7293000000e-03 -5.7630000000e-04  1.7336000000e-03 -5.5650000000e-04  1.3451000000e-03  5.2108000000e-03  1.6080000000e-04 -4.3813000000e-03 -2.0835000000e-03  1.2835600000e-02  9.5310000000e-03 -3.8741000000e-03  1.7750000000e-04  6.0980000000e-04 -2.5761000000e-03 -5.8882000000e-03 -6.5282000000e-03  1.5892000000e-03
-
-JOB 310
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9181000000e-02 -7.7539800000e-01 -5.6048000000e-01  7.5282100000e-01  5.2334100000e-01 -2.7496700000e-01 -4.4299260000e+00 -1.6290000000e-01 -1.9321800000e-01 -5.0925780000e+00  2.6324400000e-01 -7.3684200000e-01 -4.3434360000e+00 -1.0409570000e+00 -5.6438700000e-01
-ENERGY -1.526528386383e+02
-FORCES  2.7331000000e-03 -8.0640000000e-04 -3.4145000000e-03 -7.3300000000e-05  2.9356000000e-03  2.2402000000e-03 -3.0684000000e-03 -2.1357000000e-03  1.1588000000e-03 -1.8629000000e-03 -1.6789000000e-03 -3.6092000000e-03  2.6839000000e-03 -1.7289000000e-03  2.2457000000e-03 -4.1230000000e-04  3.4143000000e-03  1.3791000000e-03
-
-JOB 311
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5006400000e-01  6.4440000000e-03 -9.2393600000e-01  2.4463100000e-01 -9.0850600000e-01  1.7608200000e-01  2.5374800000e-01 -2.4663600000e+00  8.7499500000e-01 -3.9636000000e-02 -2.1867730000e+00  1.7421670000e+00  1.1264640000e+00 -2.8307050000e+00  1.0228220000e+00
-ENERGY -1.526595261641e+02
-FORCES  1.5697000000e-03 -1.8142200000e-02  2.8639000000e-03  1.1862000000e-03 -1.5758000000e-03  2.5541000000e-03 -5.7510000000e-04  1.0267400000e-02 -4.7070000000e-04 -7.8380000000e-04  6.8999000000e-03  1.5869000000e-03  3.2753000000e-03 -8.5590000000e-04 -5.7934000000e-03 -4.6723000000e-03  3.4066000000e-03 -7.4070000000e-04
-
-JOB 312
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2341000000e-02  9.0992000000e-02  9.4838000000e-01  8.0653600000e-01  3.7236700000e-01 -3.5647500000e-01  2.5980610000e+00  1.2151110000e+00 -7.7190700000e-01  2.2216660000e+00  1.1333020000e+00 -1.6481870000e+00  2.2225290000e+00  2.0239010000e+00 -4.2396100000e-01
-ENERGY -1.526576343714e+02
-FORCES  1.0505800000e-02  1.9777000000e-03  2.1819000000e-03 -9.6490000000e-04  4.0100000000e-04 -3.0466000000e-03 -8.8313000000e-03  5.9730000000e-04 -2.3894000000e-03  4.7200000000e-04  5.0623000000e-03 -3.3932000000e-03 -1.1218000000e-03 -1.4215000000e-03  7.5864000000e-03 -5.9700000000e-05 -6.6168000000e-03 -9.3910000000e-04
-
-JOB 313
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0157300000e-01  2.0226400000e-01 -9.3005600000e-01 -8.1955500000e-01 -4.9194600000e-01  5.0500000000e-02  3.4674000000e-02  4.9418100000e-01 -2.8652100000e+00  7.6535400000e-01 -1.1669600000e-01 -2.9609550000e+00  3.7899800000e-01  1.3309950000e+00 -3.1773240000e+00
-ENERGY -1.526607326051e+02
-FORCES -4.2137000000e-03  1.7232000000e-03 -1.0469100000e-02  3.8778000000e-03 -3.9299000000e-03  8.7212000000e-03  2.6923000000e-03  1.0807000000e-03  1.3220000000e-04  3.1342000000e-03  1.9927000000e-03 -3.6426000000e-03 -4.3352000000e-03  3.9402000000e-03  3.6565000000e-03 -1.1555000000e-03 -4.8068000000e-03  1.6018000000e-03
-
-JOB 314
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5484000000e-02  9.4121300000e-01 -1.7352300000e-01  6.9867300000e-01 -3.5668200000e-01 -5.4851300000e-01  2.3434760000e+00 -1.2435570000e+00 -9.3416100000e-01  2.3083640000e+00 -2.0872370000e+00 -4.8338200000e-01  3.0096330000e+00 -7.4575400000e-01 -4.6018000000e-01
-ENERGY -1.526609619243e+02
-FORCES  9.4452000000e-03 -3.2218000000e-03 -6.1772000000e-03  1.4952000000e-03 -3.1061000000e-03  4.2630000000e-04 -8.8027000000e-03  4.9651000000e-03  4.1789000000e-03  1.0414000000e-03 -1.0774000000e-03  6.2482000000e-03  4.8580000000e-04  4.6629000000e-03 -2.2093000000e-03 -3.6648000000e-03 -2.2227000000e-03 -2.4669000000e-03
-
-JOB 315
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3579700000e-01 -4.8193200000e-01 -3.7759300000e-01 -2.5679000000e-02  8.5400000000e-01 -4.3157400000e-01 -2.5455830000e+00 -1.2498370000e+00 -6.2287100000e-01 -2.5814170000e+00 -1.2499710000e+00 -1.5794000000e+00 -2.7367060000e+00 -2.1545330000e+00 -3.7542800000e-01
-ENERGY -1.526598079398e+02
-FORCES -9.8833000000e-03 -1.9637000000e-03 -2.1458000000e-03  9.6508000000e-03  4.0765000000e-03 -1.3794000000e-03 -3.5630000000e-04 -3.0691000000e-03  6.1740000000e-04 -2.6276000000e-03 -4.4200000000e-03 -4.1750000000e-04  2.5960000000e-03  8.3010000000e-04  5.4950000000e-03  6.2060000000e-04  4.5462000000e-03 -2.1697000000e-03
-
-JOB 316
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1523000000e-02  1.1457000000e-01 -9.5007500000e-01 -2.6742900000e-01  8.5437500000e-01  3.3875800000e-01  2.1612990000e+00 -1.2116770000e+00  1.4111720000e+00  1.4526130000e+00 -8.1802500000e-01  9.0221900000e-01  2.9582840000e+00 -9.7140800000e-01  9.3860600000e-01
-ENERGY -1.526613381259e+02
-FORCES -4.7250000000e-04  2.8780000000e-03 -1.2310000000e-03  1.8350000000e-04  3.6730000000e-04  4.9327000000e-03  1.5334000000e-03 -4.0963000000e-03 -2.7550000000e-03 -6.8723000000e-03  5.2273000000e-03 -7.1554000000e-03  8.3635000000e-03 -3.9977000000e-03  5.3928000000e-03 -2.7356000000e-03 -3.7860000000e-04  8.1590000000e-04
-
-JOB 317
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7333000000e-02  8.1052000000e-02  9.5303100000e-01  8.1592400000e-01 -4.7110100000e-01 -1.6901000000e-01  2.5021220000e+00 -1.0665310000e+00 -5.0609500000e-01  2.6143330000e+00 -1.0156360000e+00 -1.4553310000e+00  2.7601650000e+00 -1.9605180000e+00 -2.8152400000e-01
-ENERGY -1.526610041851e+02
-FORCES  1.3089600000e-02 -4.9161000000e-03  7.7500000000e-04  3.7470000000e-04 -8.8530000000e-04 -2.4805000000e-03 -9.7631000000e-03  3.5076000000e-03 -1.6650000000e-04 -9.9480000000e-04 -1.2657000000e-03 -2.0874000000e-03 -1.3502000000e-03 -1.1517000000e-03  5.5167000000e-03 -1.3562000000e-03  4.7112000000e-03 -1.5574000000e-03
-
-JOB 318
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9181000000e-02 -2.5133500000e-01 -9.1929800000e-01 -6.9261400000e-01 -4.8425000000e-01  4.4946500000e-01  2.2876080000e+00 -1.5090690000e+00  5.1045800000e-01  1.5728390000e+00 -8.7920900000e-01  4.1764700000e-01  3.0270660000e+00 -1.1010160000e+00  5.9984000000e-02
-ENERGY -1.526611155161e+02
-FORCES -2.2912000000e-03 -4.6695000000e-03 -1.7057000000e-03  1.4879000000e-03  9.6440000000e-04  5.3242000000e-03  4.2700000000e-03  2.1388000000e-03 -2.8365000000e-03 -8.6732000000e-03  9.6614000000e-03 -1.9796000000e-03  8.4579000000e-03 -7.3985000000e-03  7.7450000000e-04 -3.2513000000e-03 -6.9650000000e-04  4.2310000000e-04
-
-JOB 319
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1417200000e-01 -6.4227600000e-01 -4.8922500000e-01 -1.2296900000e-01  8.2016300000e-01 -4.7795700000e-01  9.6950000000e-02  2.4058650000e+00 -1.2287380000e+00 -5.2984400000e-01  2.9560340000e+00 -7.5897600000e-01  9.5428200000e-01  2.7169400000e+00 -9.3814300000e-01
-ENERGY -1.526606671761e+02
-FORCES -2.6200000000e-04  1.2381600000e-02 -9.3665000000e-03  9.8990000000e-04  3.2727000000e-03  5.7490000000e-04 -1.7952000000e-03 -8.6777000000e-03  6.9729000000e-03  3.0533000000e-03 -9.8200000000e-04  4.4744000000e-03  3.5149000000e-03 -4.7941000000e-03 -1.5950000000e-03 -5.5008000000e-03 -1.2005000000e-03 -1.0607000000e-03
-
-JOB 320
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0138100000e-01 -4.9368700000e-01 -4.2493400000e-01 -1.0382500000e-01  8.9380100000e-01 -3.2645400000e-01 -3.2260200000e-01  3.1351900000e-01  2.6951910000e+00 -1.5654600000e-01  5.4291600000e-01  1.7808420000e+00  3.4579300000e-01 -3.3904500000e-01  2.9040940000e+00
-ENERGY -1.526573574427e+02
-FORCES -5.3959000000e-03 -1.9410000000e-03  2.1811000000e-03  4.0226000000e-03  3.0297000000e-03  6.8950000000e-04 -2.3800000000e-04 -4.4352000000e-03  5.9658000000e-03  4.5584000000e-03 -5.3232000000e-03 -1.4757400000e-02 -8.4750000000e-04  7.1002000000e-03  5.2841000000e-03 -2.0995000000e-03  1.5694000000e-03  6.3700000000e-04
-
-JOB 321
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7671400000e-01 -4.6324900000e-01 -3.1360500000e-01 -1.1312200000e-01  8.9746400000e-01 -3.1303800000e-01 -2.0993920000e+00 -1.5979910000e+00 -9.4127300000e-01 -2.0305720000e+00 -1.3015440000e+00 -1.8488060000e+00 -1.9082620000e+00 -2.5351240000e+00 -9.7977400000e-01
-ENERGY -1.526601520188e+02
-FORCES -1.0365800000e-02 -5.4589000000e-03 -2.7000000000e-03  8.3009000000e-03  7.8368000000e-03 -1.8100000000e-04 -8.5310000000e-04 -3.6533000000e-03 -3.7750000000e-04  2.9063000000e-03 -3.6837000000e-03 -2.0420000000e-03  1.5170000000e-03  9.1900000000e-05  6.1965000000e-03 -1.5053000000e-03  4.8673000000e-03 -8.9590000000e-04
-
-JOB 322
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4840000000e-03 -2.4572300000e-01 -9.2512200000e-01 -1.2577800000e-01 -8.2577800000e-01  4.6744300000e-01 -2.4955150000e+00  1.1308730000e+00  7.1874300000e-01 -3.1973620000e+00  7.0299900000e-01  2.2826700000e-01 -1.6895430000e+00  8.0292100000e-01  3.1988400000e-01
-ENERGY -1.526600615685e+02
-FORCES  1.0753000000e-03 -4.4696000000e-03  1.6640000000e-04 -2.2880000000e-03  1.4687000000e-03  5.3647000000e-03 -5.9260000000e-04  4.7318000000e-03 -3.6311000000e-03  9.4917000000e-03 -4.3432000000e-03 -4.6361000000e-03  3.4834000000e-03  3.7530000000e-04  1.0134000000e-03 -1.1169800000e-02  2.2371000000e-03  1.7229000000e-03
-
-JOB 323
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4632000000e-01 -1.8769300000e-01 -8.2571300000e-01  7.2322200000e-01 -6.2634100000e-01  2.9656000000e-02 -8.6406800000e-01 -6.0113100000e-01 -2.3357430000e+00 -1.5866900000e+00 -1.1581260000e+00 -2.6252350000e+00 -7.5384000000e-02 -1.0717740000e+00 -2.6053810000e+00
-ENERGY -1.526550345759e+02
-FORCES -8.7010000000e-03 -6.4039000000e-03 -2.0160100000e-02  5.8428000000e-03  8.0480000000e-04  5.4131000000e-03 -1.9607000000e-03  1.1095000000e-03 -2.4008000000e-03  4.1215000000e-03  4.2170000000e-04  1.2142900000e-02  5.2622000000e-03  2.1961000000e-03  9.3330000000e-04 -4.5648000000e-03  1.8718000000e-03  4.0716000000e-03
-
-JOB 324
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2345000000e-02 -2.0582000000e-02  9.5342900000e-01 -6.4695800000e-01  6.4627200000e-01 -2.8286100000e-01 -1.5746000000e-01 -2.4894060000e+00 -9.4830300000e-01 -9.8806000000e-01 -2.8790120000e+00 -6.7527900000e-01 -2.2590600000e-01 -1.5710100000e+00 -6.8735100000e-01
-ENERGY -1.526591629202e+02
-FORCES -1.0722000000e-03 -4.3488000000e-03  9.6650000000e-04 -1.0078000000e-03  4.4280000000e-04 -5.5891000000e-03  2.6549000000e-03 -4.8753000000e-03  2.0826000000e-03 -2.6450000000e-04  1.5567300000e-02  5.9344000000e-03  2.1694000000e-03  2.8249000000e-03  2.1770000000e-04 -2.4796000000e-03 -9.6109000000e-03 -3.6120000000e-03
-
-JOB 325
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6988000000e-02  4.2617000000e-02  9.5587000000e-01 -8.6482700000e-01 -3.2509100000e-01 -2.5024500000e-01  1.9097440000e+00 -1.4260140000e+00 -1.6622850000e+00  1.1745420000e+00 -1.1240880000e+00 -1.1288520000e+00  2.6679660000e+00 -9.5771000000e-01 -1.3129670000e+00
-ENERGY -1.526604636591e+02
-FORCES -2.6239000000e-03 -1.7740000000e-04  3.3229000000e-03 -4.9270000000e-04  9.1700000000e-05 -4.7701000000e-03  5.6640000000e-03  4.1790000000e-04  1.1804000000e-03 -4.2201000000e-03  7.8314000000e-03  7.8732000000e-03  2.9506000000e-03 -6.1939000000e-03 -6.4438000000e-03 -1.2778000000e-03 -1.9696000000e-03 -1.1626000000e-03
-
-JOB 326
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0612100000e-01 -3.7617300000e-01 -3.5340400000e-01 -7.0017200000e-01 -5.2322900000e-01 -3.9015700000e-01  2.9682000000e-01  2.4763130000e+00 -5.8123000000e-01  1.0974650000e+00  2.7656280000e+00 -1.4362600000e-01  2.7719200000e-01  1.5291930000e+00 -4.4408400000e-01
-ENERGY -1.526552653559e+02
-FORCES -1.4018000000e-03  1.0823200000e-02 -4.9855000000e-03 -4.7369000000e-03  6.2138000000e-03  9.4150000000e-04  5.1059000000e-03  2.0003000000e-03  1.9117000000e-03 -3.9148000000e-03 -2.1368400000e-02  7.1330000000e-03 -1.6413000000e-03 -3.6039000000e-03 -1.0795000000e-03  6.5889000000e-03  5.9349000000e-03 -3.9212000000e-03
-
-JOB 327
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5316900000e-01  8.4759000000e-02  9.4105600000e-01  8.7360000000e-03 -9.4360100000e-01 -1.6053800000e-01 -2.0759970000e+00  1.4412630000e+00 -1.1445720000e+00 -1.2121030000e+00  1.1108580000e+00 -8.9809600000e-01 -2.1458720000e+00  2.2858210000e+00 -6.9952000000e-01
-ENERGY -1.526600367159e+02
-FORCES -4.7834000000e-03 -1.6146000000e-03  1.4111000000e-03 -3.4580000000e-04 -1.0157000000e-03 -4.2856000000e-03  7.2150000000e-04  4.2854000000e-03  1.9644000000e-03  9.7322000000e-03 -4.4248000000e-03  6.0634000000e-03 -6.2219000000e-03  5.7131000000e-03 -4.7713000000e-03  8.9750000000e-04 -2.9434000000e-03 -3.8210000000e-04
-
-JOB 328
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4577000000e-02 -9.1437700000e-01 -2.6683700000e-01  8.5047500000e-01  3.9515700000e-01 -1.9176800000e-01 -2.4590970000e+00  1.4767760000e+00 -8.1219100000e-01 -2.5842450000e+00  1.4927910000e+00 -1.7610400000e+00 -1.6267030000e+00  1.0209000000e+00 -6.8757500000e-01
-ENERGY -1.526611462551e+02
-FORCES  4.6599000000e-03 -3.1224000000e-03  8.1300000000e-05  1.1310000000e-04  4.8679000000e-03  7.2620000000e-04 -4.4002000000e-03 -2.4020000000e-03  2.3190000000e-04  7.0677000000e-03 -4.4056000000e-03  4.5400000000e-05  1.0908000000e-03 -5.1930000000e-04  3.0293000000e-03 -8.5313000000e-03  5.5812000000e-03 -4.1142000000e-03
-
-JOB 329
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3246700000e-01  4.5488400000e-01  1.2771500000e-01  6.6534800000e-01  6.7488100000e-01  1.3445900000e-01 -1.3271800000e-01 -3.5999700000e-01 -2.7468350000e+00 -3.5044000000e-02 -8.1500000000e-04 -1.8649730000e+00 -7.0061700000e-01  2.6417200000e-01 -3.1986490000e+00
-ENERGY -1.526576526064e+02
-FORCES -1.4438000000e-03  1.3650000000e-03  2.2766000000e-03  5.2936000000e-03 -1.6819000000e-03 -3.6147000000e-03 -4.6112000000e-03 -3.5257000000e-03 -3.9120000000e-03  1.0090000000e-04  1.8816000000e-03  1.2177500000e-02 -8.5520000000e-04  3.3495000000e-03 -1.0696000000e-02  1.5157000000e-03 -1.3885000000e-03  3.7685000000e-03
-
-JOB 330
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4879400000e-01 -4.9266200000e-01 -3.3589200000e-01  1.7045100000e-01  9.0450300000e-01 -2.6277900000e-01 -2.2512840000e+00 -1.0660680000e+00 -5.7841100000e-01 -3.0170590000e+00 -4.9820000000e-01 -4.9269800000e-01 -1.5169260000e+00 -5.2374400000e-01 -2.9060200000e-01
-ENERGY -1.526570639592e+02
-FORCES -9.9314000000e-03 -7.5930000000e-03 -6.6200000000e-03 -2.6365000000e-03  4.6217000000e-03  1.8100000000e-03 -1.5506000000e-03 -5.1725000000e-03  8.1160000000e-04  1.8376700000e-02  8.6613000000e-03  5.4749000000e-03  4.6013000000e-03  8.0630000000e-04  2.8890000000e-04 -8.8596000000e-03 -1.3239000000e-03 -1.7654000000e-03
-
-JOB 331
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3746500000e-01 -4.8766300000e-01 -3.6682800000e-01 -3.2356000000e-02  8.5007200000e-01 -4.3882000000e-01  2.6364000000e-02 -5.7894500000e-01  2.6570330000e+00 -2.4413300000e-01 -4.1044300000e-01  1.7544430000e+00 -7.7192400000e-01 -8.7278700000e-01  3.0959230000e+00
-ENERGY -1.526581743168e+02
-FORCES -3.2300000000e-05  2.6003000000e-03  5.4920000000e-04  3.0463000000e-03  3.0112000000e-03  5.3402000000e-03 -4.5370000000e-04 -5.0722000000e-03  9.9740000000e-04 -3.9740000000e-04  3.4763000000e-03 -1.1593000000e-02 -3.9613000000e-03 -5.1518000000e-03  8.6245000000e-03  1.7985000000e-03  1.1361000000e-03 -3.9183000000e-03
-
-JOB 332
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4491000000e-02 -8.9822000000e-01  3.2230900000e-01  8.5823000000e-01  2.9410400000e-01  3.0524800000e-01  2.4552410000e+00  1.1168800000e+00 -1.1804200000e-01  3.3809140000e+00  8.8530800000e-01 -1.9377500000e-01  2.3531310000e+00  1.8846410000e+00 -6.8048900000e-01
-ENERGY -1.526593659101e+02
-FORCES  1.2083000000e-02  2.6124000000e-03  4.5080000000e-04  1.7993000000e-03  2.7388000000e-03 -8.3690000000e-04 -8.3660000000e-03 -2.3944000000e-03  1.5689000000e-03 -3.9350000000e-03 -1.3275000000e-03 -3.5287000000e-03 -3.9384000000e-03  1.7875000000e-03 -5.9510000000e-04  2.3571000000e-03 -3.4168000000e-03  2.9408000000e-03
-
-JOB 333
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9347200000e-01 -2.7768900000e-01  2.0206200000e-01  4.2585000000e-02  9.5618800000e-01 -1.1095000000e-02  2.6329200000e-01 -1.1325600000e-01 -2.7110920000e+00  5.8984000000e-02 -1.4535900000e-01 -1.7765010000e+00 -5.2235500000e-01 -4.5207400000e-01 -3.1402710000e+00
-ENERGY -1.526607138793e+02
-FORCES  4.4592000000e-03  2.4608000000e-03 -1.3816000000e-03 -5.2138000000e-03  2.0457000000e-03 -2.7004000000e-03  6.6000000000e-06 -6.3001000000e-03 -2.2035000000e-03 -4.3596000000e-03 -1.7325000000e-03  1.4288300000e-02  3.3261000000e-03  2.4037000000e-03 -1.0618800000e-02  1.7816000000e-03  1.1224000000e-03  2.6159000000e-03
-
-JOB 334
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6566300000e-01  3.1466400000e-01 -8.6408400000e-01 -7.9745900000e-01 -3.7382400000e-01  3.7489700000e-01  1.7314620000e+00 -1.2244760000e+00  3.1588970000e+00  2.1246910000e+00 -1.8200890000e+00  3.7967440000e+00  1.8457630000e+00 -1.6650820000e+00  2.3168560000e+00
-ENERGY -1.526549766194e+02
-FORCES -4.9084000000e-03  7.7720000000e-04 -1.5965000000e-03  1.0623000000e-03 -1.3464000000e-03  3.6070000000e-03  3.4020000000e-03  1.0767000000e-03 -2.3102000000e-03  2.4281000000e-03 -3.5522000000e-03 -1.9522000000e-03 -1.6827000000e-03  2.4595000000e-03 -2.5805000000e-03 -3.0140000000e-04  5.8510000000e-04  4.8324000000e-03
-
-JOB 335
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9968000000e-02 -1.0142000000e-02 -9.5693800000e-01  1.9858700000e-01  9.0651200000e-01  2.3458900000e-01  1.5634630000e+00 -1.5741760000e+00  3.7231200000e+00  1.5924150000e+00 -1.6635170000e+00  2.7705380000e+00  8.1502200000e-01 -1.0006170000e+00  3.8877300000e+00
-ENERGY -1.526560522505e+02
-FORCES  3.9800000000e-04  3.9846000000e-03 -4.1306000000e-03 -5.1800000000e-05  2.3540000000e-04  4.0273000000e-03 -7.7390000000e-04 -4.0465000000e-03 -6.2190000000e-04 -3.5943000000e-03  1.7497000000e-03 -4.2200000000e-03  8.4390000000e-04  4.6000000000e-06  4.8756000000e-03  3.1781000000e-03 -1.9278000000e-03  6.9700000000e-05
-
-JOB 336
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3538100000e-01 -4.3700100000e-01  1.6553100000e-01  4.4983000000e-02  7.8726000000e-02 -9.5289600000e-01 -1.2023000000e-01  2.6694260000e+00  9.4401500000e-01 -9.5284600000e-01  3.0411140000e+00  6.5275700000e-01 -9.7766000000e-02  1.7957630000e+00  5.5357900000e-01
-ENERGY -1.526602623088e+02
-FORCES -2.4053000000e-03 -2.5858000000e-03 -1.6914000000e-03  4.0678000000e-03  3.3794000000e-03 -1.6987000000e-03 -1.4338000000e-03  1.3375000000e-03  5.8647000000e-03 -9.7680000000e-04 -1.1052100000e-02 -4.0948000000e-03  2.3351000000e-03 -2.4088000000e-03  2.9640000000e-04 -1.5870000000e-03  1.1329800000e-02  1.3239000000e-03
-
-JOB 337
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6691600000e-01 -5.5040500000e-01 -4.1049800000e-01  1.8315700000e-01  8.8156500000e-01 -3.2485300000e-01 -2.3704410000e+00 -9.4129100000e-01 -1.1762800000e+00 -2.5116940000e+00 -1.8085870000e+00 -7.9670400000e-01 -1.5590630000e+00 -6.3221900000e-01 -7.7332800000e-01
-ENERGY -1.526611492135e+02
-FORCES  2.2305000000e-03  1.9160000000e-03 -2.8733000000e-03 -5.0079000000e-03  2.5995000000e-03  1.5467000000e-03 -8.1340000000e-04 -5.3711000000e-03  1.1108000000e-03  1.0004300000e-02  2.8024000000e-03  7.9899000000e-03  1.5382000000e-03  2.3874000000e-03 -1.1132000000e-03 -7.9516000000e-03 -4.3341000000e-03 -6.6609000000e-03
-
-JOB 338
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3442000000e-02  4.8449800000e-01  8.2484900000e-01 -8.1444300000e-01  2.8615700000e-01 -4.1355600000e-01 -2.3557810000e+00  2.8904660000e+00 -3.3263100000e-01 -2.4524990000e+00  2.0841610000e+00 -8.3933600000e-01 -2.9763850000e+00  3.5004210000e+00 -7.3142400000e-01
-ENERGY -1.526536850689e+02
-FORCES -2.8049000000e-03  4.5256000000e-03  2.6447000000e-03  3.8070000000e-04 -3.1341000000e-03 -3.2964000000e-03  1.6748000000e-03 -1.2244000000e-03  1.9970000000e-04 -4.0384000000e-03  9.7470000000e-04 -4.5595000000e-03  2.0923000000e-03  1.5123000000e-03  3.2155000000e-03  2.6955000000e-03 -2.6540000000e-03  1.7961000000e-03
-
-JOB 339
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6933400000e-01 -3.8491700000e-01  5.6574100000e-01  4.2912000000e-02  9.1760900000e-01  2.6904400000e-01  2.5871520000e+00 -9.3082800000e-01  6.9808300000e-01  2.7979910000e+00 -9.5327100000e-01  1.6315040000e+00  1.7063710000e+00 -5.5800400000e-01  6.5989500000e-01
-ENERGY -1.526594759185e+02
-FORCES -3.9772000000e-03  1.5850000000e-03  4.5560000000e-04  4.8959000000e-03  2.4055000000e-03 -1.9390000000e-03  1.5189000000e-03 -6.3586000000e-03  2.7570000000e-04 -1.0002900000e-02  2.9340000000e-03 -1.5013000000e-03 -2.5179000000e-03  7.7970000000e-04 -3.0289000000e-03  1.0083100000e-02 -1.3456000000e-03  5.7380000000e-03
-
-JOB 340
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0534700000e-01  3.7904500000e-01 -5.2444500000e-01  2.2520800000e-01 -8.1291700000e-01 -4.5241400000e-01 -1.3965300000e-01 -4.7437400000e-01  2.7661950000e+00  3.1975000000e-02 -3.7351100000e-01  1.8299240000e+00 -1.1415900000e-01 -1.4196900000e+00  2.9143820000e+00
-ENERGY -1.526600156020e+02
-FORCES -4.1428000000e-03  5.9300000000e-05 -7.9230000000e-04  4.1139000000e-03 -2.7175000000e-03  8.1310000000e-04 -1.7715000000e-03  3.5142000000e-03  3.7547000000e-03  3.4900000000e-04  6.9120000000e-04 -1.1438600000e-02  1.3326000000e-03 -4.2446000000e-03  9.5947000000e-03  1.1890000000e-04  2.6973000000e-03 -1.9316000000e-03
-
-JOB 341
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8752100000e-01 -8.7574300000e-01  2.5814100000e-01  7.9521700000e-01  5.3198900000e-01  2.9162000000e-02  3.7888000000e-02 -2.6514850000e+00  7.3917000000e-01  5.8755000000e-02 -2.4839960000e+00  1.6813710000e+00  9.2405400000e-01 -2.9453130000e+00  5.2796800000e-01
-ENERGY -1.526575155005e+02
-FORCES  6.0980000000e-04 -1.1828600000e-02  2.1579000000e-03  4.2882000000e-03  1.0547200000e-02 -1.3960000000e-04 -1.8766000000e-03 -4.3265000000e-03  7.7780000000e-04  9.6600000000e-05 -1.1426000000e-03  2.8899000000e-03  1.4000000000e-03  1.1166000000e-03 -6.5391000000e-03 -4.5180000000e-03  5.6339000000e-03  8.5320000000e-04
-
-JOB 342
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2593000000e-01  2.5360900000e-01 -9.1436100000e-01 -1.5341700000e-01  8.0447700000e-01  4.9549100000e-01  2.3136580000e+00 -1.0100280000e+00  7.8976800000e-01  2.0584080000e+00 -1.0003540000e+00  1.7122570000e+00  1.5316800000e+00 -7.1797200000e-01  3.2131700000e-01
-ENERGY -1.526581676100e+02
-FORCES  7.4460000000e-03  8.8430000000e-04  2.9110000000e-03  1.8599000000e-03 -9.7270000000e-04  5.4081000000e-03  4.3150000000e-04 -4.3226000000e-03 -2.9512000000e-03 -1.8445400000e-02  6.3422000000e-03 -3.5333000000e-03  7.5180000000e-04  9.2300000000e-04 -1.8939000000e-03  7.9562000000e-03 -2.8542000000e-03  5.9300000000e-05
-
-JOB 343
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2232000000e-02 -2.8826200000e-01  9.1178600000e-01 -8.3543700000e-01  4.6236200000e-01 -6.7069000000e-02  1.9270300000e-01 -7.0819700000e-01  2.7943050000e+00 -5.5096600000e-01 -1.8090800000e-01  3.0861170000e+00  9.4381600000e-01 -3.4355400000e-01  3.2623830000e+00
-ENERGY -1.526601598729e+02
-FORCES -7.2190000000e-04 -2.8178000000e-03  1.0119800000e-02 -2.9467000000e-03  4.4473000000e-03 -9.7969000000e-03  2.4990000000e-03 -1.4186000000e-03  1.6795000000e-03  1.7745000000e-03  3.3571000000e-03  3.8257000000e-03  3.9540000000e-03 -1.9713000000e-03 -4.0238000000e-03 -4.5589000000e-03 -1.5967000000e-03 -1.8042000000e-03
-
-JOB 344
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0838900000e-01 -7.3154000000e-02 -9.0320400000e-01 -7.1364000000e-02 -9.0507700000e-01  3.0327400000e-01 -2.1269100000e-01 -2.5279100000e-01 -2.7728720000e+00 -3.8684000000e-02 -1.1935770000e+00 -2.8024490000e+00  5.6254400000e-01  1.4715900000e-01 -3.1669310000e+00
-ENERGY -1.526554104271e+02
-FORCES -2.3011000000e-03 -2.9341000000e-03 -1.2492600000e-02  5.2837000000e-03 -7.8350000000e-04  7.8103000000e-03  3.4190000000e-04  2.4865000000e-03 -2.1409000000e-03 -3.6000000000e-05 -2.0438000000e-03 -1.9168000000e-03  2.8780000000e-04  5.6765000000e-03  3.2152000000e-03 -3.5763000000e-03 -2.4016000000e-03  5.5249000000e-03
-
-JOB 345
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0043600000e-01 -2.9964600000e-01  4.3098200000e-01 -2.0609300000e-01  8.3118700000e-01  4.2765200000e-01  1.9535240000e+00 -1.4401590000e+00  9.1596700000e-01  1.7794660000e+00 -2.3813790000e+00  9.2229200000e-01  2.8050540000e+00 -1.3564520000e+00  4.8687300000e-01
-ENERGY -1.526587118163e+02
-FORCES  1.2831600000e-02 -9.6758000000e-03  6.9549000000e-03 -5.1482000000e-03  7.6291000000e-03 -2.9711000000e-03  3.0998000000e-03 -3.2536000000e-03  6.7400000000e-05 -9.3991000000e-03  1.7731000000e-03 -5.9046000000e-03  3.4753000000e-03  4.0576000000e-03 -6.4300000000e-05 -4.8594000000e-03 -5.3030000000e-04  1.9177000000e-03
-
-JOB 346
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5212700000e-01 -5.6166000000e-01  1.8728300000e-01  7.4474800000e-01 -4.5863500000e-01  3.8889000000e-01  2.4907950000e+00 -6.7781100000e-01  8.1173700000e-01  2.6980300000e+00 -5.9145700000e-01  1.7422360000e+00  2.3463360000e+00 -1.6153920000e+00  6.8404700000e-01
-ENERGY -1.526562682379e+02
-FORCES  1.1844500000e-02 -2.3236000000e-03  4.6850000000e-03  4.9341000000e-03  3.6540000000e-04  5.0830000000e-04 -9.8233000000e-03 -4.3049000000e-03 -2.8400000000e-03 -3.9710000000e-04  2.8930000000e-04  1.9594000000e-03 -1.7614000000e-03 -1.3216000000e-03 -5.2123000000e-03 -4.7969000000e-03  7.2955000000e-03  8.9950000000e-04
-
-JOB 347
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0833000000e-02  8.9412900000e-01 -3.3201000000e-01 -1.2613500000e-01  1.0466800000e-01  9.4306200000e-01  9.1623000000e-02  2.6405580000e+00 -1.0725090000e+00 -5.9949100000e-01  3.1998630000e+00 -7.1786800000e-01  9.0600100000e-01  3.0678060000e+00 -8.0702700000e-01
-ENERGY -1.526608032860e+02
-FORCES -1.8350000000e-04  1.1202800000e-02 -2.7023000000e-03  7.7470000000e-04 -9.7722000000e-03  5.5323000000e-03  3.4850000000e-04  7.3310000000e-04 -2.9831000000e-03 -3.9830000000e-04  3.6595000000e-03  1.2488000000e-03  4.3515000000e-03 -2.9316000000e-03 -9.1570000000e-04 -4.8929000000e-03 -2.8915000000e-03 -1.8000000000e-04
-
-JOB 348
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5924400000e-01  4.3569800000e-01 -8.3728200000e-01 -8.1715800000e-01  3.8347100000e-01  3.1848900000e-01  2.4257790000e+00  1.2766630000e+00  9.8658200000e-01  2.6208130000e+00  1.0497000000e+00  1.8958020000e+00  1.7672710000e+00  6.3703500000e-01  7.1551800000e-01
-ENERGY -1.526609017762e+02
-FORCES -3.9865000000e-03  5.0238000000e-03 -1.3159000000e-03  4.1110000000e-04 -2.1101000000e-03  5.4710000000e-03  3.2945000000e-03 -2.0975000000e-03 -2.2507000000e-03 -7.4666000000e-03 -6.3127000000e-03  6.1650000000e-04 -1.2385000000e-03  6.5370000000e-04 -2.7291000000e-03  8.9860000000e-03  4.8428000000e-03  2.0820000000e-04
-
-JOB 349
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5828200000e-01 -4.2578500000e-01 -3.9993400000e-01 -4.3348000000e-02  8.5827800000e-01 -4.2155900000e-01  2.2202130000e+00 -1.8075260000e+00 -6.6121000000e-01  2.1611090000e+00 -1.6054890000e+00 -1.5949760000e+00  3.0749870000e+00 -1.4681320000e+00 -3.9587000000e-01
-ENERGY -1.526581369026e+02
-FORCES  6.6687000000e-03 -3.7768000000e-03 -1.8994000000e-03 -7.1066000000e-03  7.7490000000e-03 -2.1533000000e-03  1.5853000000e-03 -3.7687000000e-03  7.2970000000e-04  5.6127000000e-03 -1.3128000000e-03 -1.2269000000e-03 -2.0034000000e-03  2.2930000000e-03  6.6342000000e-03 -4.7568000000e-03 -1.1837000000e-03 -2.0843000000e-03
-
-JOB 350
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3503000000e-02  9.4319100000e-01 -1.3371500000e-01 -3.3573000000e-02 -1.0543200000e-01  9.5078300000e-01  1.3589400000e-01  3.5452900000e-01  2.8285020000e+00  1.9054200000e-01  1.2979210000e+00  2.9810040000e+00  9.2160500000e-01 -1.5460000000e-03  3.2433530000e+00
-ENERGY -1.526600318949e+02
-FORCES  3.3250000000e-04  4.0233000000e-03  1.2197400000e-02 -1.7270000000e-04 -2.1349000000e-03  9.4000000000e-05 -2.9000000000e-06 -2.3713000000e-03 -9.2073000000e-03  3.3926000000e-03  2.7701000000e-03  4.4050000000e-04  3.8200000000e-04 -4.6425000000e-03 -1.1973000000e-03 -3.9314000000e-03  2.3553000000e-03 -2.3274000000e-03
-
-JOB 351
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9957300000e-01 -4.7356000000e-01 -4.5007900000e-01  1.6902800000e-01  7.6200100000e-01 -5.5409000000e-01  1.0898500000e-01  2.4168970000e+00 -1.3462430000e+00  4.6488000000e-02  2.4566670000e+00 -2.3005720000e+00 -6.5156300000e-01  2.9079090000e+00 -1.0352650000e+00
-ENERGY -1.526604660183e+02
-FORCES -3.6280000000e-04  1.0702500000e-02 -8.3884000000e-03  1.7474000000e-03  2.0710000000e-03  8.3010000000e-04 -6.3750000000e-04 -9.2090000000e-03  4.6564000000e-03 -3.5768000000e-03 -1.7930000000e-04  7.2760000000e-04 -8.2020000000e-04 -7.7460000000e-04  5.1887000000e-03  3.6499000000e-03 -2.6105000000e-03 -3.0144000000e-03
-
-JOB 352
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4831100000e-01 -1.3866000000e-02  9.2432800000e-01 -7.4777300000e-01  4.0058600000e-01 -4.4339400000e-01 -8.0709800000e-01 -1.6431500000e-01  2.5825130000e+00 -1.6985540000e+00  1.3663800000e-01  2.7584830000e+00 -6.8548000000e-01 -9.1057500000e-01  3.1694850000e+00
-ENERGY -1.526596583745e+02
-FORCES -5.8313000000e-03 -3.8520000000e-04  1.3867000000e-02  2.1768000000e-03  1.6536000000e-03 -8.9698000000e-03  1.3152000000e-03 -9.8010000000e-04  2.3582000000e-03  5.9700000000e-05 -2.4518000000e-03 -4.3231000000e-03  4.3666000000e-03 -2.1363000000e-03 -1.0360000000e-03 -2.0870000000e-03  4.2998000000e-03 -1.8963000000e-03
-
-JOB 353
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7520000000e-02  2.4107600000e-01  9.2558400000e-01 -8.2948400000e-01  3.6398300000e-01 -3.0936200000e-01 -5.0916300000e-01 -1.2235900000e-01  2.8153810000e+00 -4.7077400000e-01 -1.0539120000e+00  3.0321000000e+00  1.8622900000e-01  2.7486400000e-01  3.3396660000e+00
-ENERGY -1.526601015580e+02
-FORCES -5.3129000000e-03  1.3117000000e-03  1.0520800000e-02  4.3889000000e-03  2.0188000000e-03 -8.2636000000e-03  2.5324000000e-03 -1.2018000000e-03  5.4470000000e-04  1.0286000000e-03 -5.2891000000e-03  1.6674000000e-03  8.7600000000e-05  5.0880000000e-03  3.2840000000e-04 -2.7245000000e-03 -1.9276000000e-03 -4.7976000000e-03
-
-JOB 354
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9078700000e-01 -4.5482100000e-01 -4.8185400000e-01  3.5070000000e-02  9.0041400000e-01 -3.2288800000e-01  6.8752000000e-02  2.6087420000e+00 -5.6161600000e-01  7.8918000000e-02  2.6577060000e+00 -1.5175080000e+00  6.8022000000e-01  3.2891830000e+00 -2.7994300000e-01
-ENERGY -1.526580231022e+02
-FORCES  2.3081000000e-03  1.5370100000e-02 -2.4994000000e-03 -1.8039000000e-03  3.0810000000e-03  5.0040000000e-04 -1.4024000000e-03 -9.3603000000e-03 -3.3913000000e-03  2.9314000000e-03 -3.7462000000e-03  2.7797000000e-03  1.3236000000e-03 -2.9524000000e-03  5.9680000000e-03 -3.3568000000e-03 -2.3922000000e-03 -3.3574000000e-03
-
-JOB 355
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4030000000e-02 -1.8231000000e-01 -9.3957300000e-01 -6.4378900000e-01 -6.0332500000e-01  3.7116800000e-01 -1.7086800000e-01  2.6248540000e+00  1.1513640000e+00 -1.0257690000e+00  2.8267080000e+00  7.7106000000e-01  5.5413000000e-02  1.7672160000e+00  7.9152200000e-01
-ENERGY -1.526610371229e+02
-FORCES -2.3877000000e-03 -1.5345000000e-03 -1.3420000000e-03 -9.6860000000e-04  2.5680000000e-04  4.7449000000e-03  2.7812000000e-03  2.9580000000e-03 -2.9106000000e-03 -1.4059000000e-03 -9.8095000000e-03 -6.2130000000e-03  2.0592000000e-03 -2.5090000000e-04  1.2365000000e-03 -7.8200000000e-05  8.3802000000e-03  4.4842000000e-03
-
-JOB 356
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2564000000e-02 -1.3891800000e-01  9.4560600000e-01  9.3030000000e-03 -8.8191900000e-01 -3.7197400000e-01  2.5336880000e+00  1.0823090000e+00 -7.8206900000e-01  2.3279470000e+00  1.9897880000e+00 -5.5760400000e-01  1.8205880000e+00  5.7242700000e-01 -3.9769800000e-01
-ENERGY -1.526601040876e+02
-FORCES -2.2639000000e-03 -3.4369000000e-03  7.9550000000e-04  1.8383000000e-03  1.0541000000e-03 -5.3937000000e-03  1.6634000000e-03  5.1607000000e-03  2.7200000000e-03 -1.2425000000e-02 -8.4880000000e-04  3.6229000000e-03  1.3568000000e-03 -2.3138000000e-03 -2.7840000000e-04  9.8303000000e-03  3.8460000000e-04 -1.4664000000e-03
-
-JOB 357
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8880300000e-01 -9.3463800000e-01 -8.3888000000e-02  3.3212500000e-01  9.8601000000e-02  8.9230200000e-01 -2.0603180000e+00  1.4233040000e+00 -7.7441300000e-01 -1.3650700000e+00  9.2430900000e-01 -3.4561700000e-01 -1.8750120000e+00  1.3381890000e+00 -1.7096400000e+00
-ENERGY -1.526584486434e+02
-FORCES -7.1077000000e-03  2.7674000000e-03 -1.1891000000e-03  8.5270000000e-04  5.6640000000e-03  8.3390000000e-04 -3.1294000000e-03 -1.1249000000e-03 -4.9535000000e-03  1.7766800000e-02 -1.0478200000e-02  3.6837000000e-03 -7.6118000000e-03  3.7600000000e-03 -4.6200000000e-04 -7.7060000000e-04 -5.8830000000e-04  2.0871000000e-03
-
-JOB 358
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1937700000e-01  1.3282300000e-01 -9.4039300000e-01  2.0429000000e-01  8.4982900000e-01  3.9024100000e-01 -2.1249660000e+00 -1.5740460000e+00  8.1568900000e-01 -2.8232920000e+00 -9.4655800000e-01  6.2906000000e-01 -1.3219090000e+00 -1.1248650000e+00  5.5193200000e-01
-ENERGY -1.526606027693e+02
-FORCES -2.3703000000e-03  8.7050000000e-04  1.9630000000e-04 -8.0090000000e-04  4.9280000000e-04  5.0669000000e-03 -9.1670000000e-04 -3.5468000000e-03 -3.4302000000e-03  8.9055000000e-03  9.8567000000e-03 -4.3212000000e-03  1.6671000000e-03 -1.5196000000e-03  4.4520000000e-04 -6.4846000000e-03 -6.1536000000e-03  2.0430000000e-03
-
-JOB 359
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5995400000e-01  3.3078200000e-01  2.5941200000e-01 -6.2151000000e-01  5.2960000000e-01  4.9948100000e-01  2.3738400000e-01 -2.8384300000e+00  5.7050700000e-01 -4.2504600000e-01 -3.3766630000e+00  1.3723700000e-01 -6.5973000000e-02 -1.9389890000e+00  4.4716600000e-01
-ENERGY -1.526615678377e+02
-FORCES  3.1594000000e-03  4.1531000000e-03  2.0240000000e-03 -5.1081000000e-03 -1.0252000000e-03 -8.3000000000e-04  3.1631000000e-03 -3.4352000000e-03 -2.1055000000e-03 -3.0815000000e-03  8.2704000000e-03 -3.9422000000e-03  1.5607000000e-03  2.4342000000e-03  1.3684000000e-03  3.0650000000e-04 -1.0397200000e-02  3.4853000000e-03
-
-JOB 360
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8035600000e-01 -3.4026500000e-01  4.3760300000e-01  2.0040300000e-01 -6.6032000000e-02 -9.3365400000e-01  1.9447650000e+00 -1.4076460000e+00  1.3042260000e+00  1.8840960000e+00 -1.4821310000e+00  2.2565930000e+00  2.8604790000e+00 -1.1832170000e+00  1.1389080000e+00
-ENERGY -1.526600430337e+02
-FORCES  1.0448400000e-02 -8.5724000000e-03  4.8661000000e-03 -5.6452000000e-03  6.8348000000e-03 -5.1576000000e-03  6.7430000000e-04  2.8800000000e-05  2.9411000000e-03 -1.6129000000e-03  1.5886000000e-03  1.8804000000e-03  1.6366000000e-03  5.5400000000e-04 -5.0803000000e-03 -5.5012000000e-03 -4.3370000000e-04  5.5030000000e-04
-
-JOB 361
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5192000000e-02 -4.4366000000e-02 -9.5394600000e-01  6.9948000000e-02  9.3298300000e-01  2.0219500000e-01  2.0270330000e+00 -1.1726660000e+00  1.3091580000e+00  1.2908820000e+00 -6.8761700000e-01  9.3627500000e-01  2.0280210000e+00 -2.0063370000e+00  8.3881400000e-01
-ENERGY -1.526588634485e+02
-FORCES  6.4044000000e-03 -1.0645000000e-03 -6.4170000000e-04 -5.8070000000e-04  7.1380000000e-04  5.0383000000e-03  1.3280000000e-03 -6.1772000000e-03 -8.4110000000e-04 -1.4711000000e-02  4.6085000000e-03 -1.0074200000e-02  7.3727000000e-03 -3.0450000000e-04  6.0343000000e-03  1.8660000000e-04  2.2238000000e-03  4.8430000000e-04
-
-JOB 362
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2622600000e-01  3.0721900000e-01  5.4262700000e-01  6.3208200000e-01  7.1864900000e-01  1.5731000000e-02 -2.8116400000e-01  4.9747600000e-01 -2.7764080000e+00 -2.4547600000e-01  3.1483500000e-01 -1.8374720000e+00 -2.2099900000e-01 -3.6328200000e-01 -3.1907840000e+00
-ENERGY -1.526611853176e+02
-FORCES -4.0950000000e-04  3.3859000000e-03  2.9194000000e-03  4.1665000000e-03 -1.0448000000e-03 -3.1439000000e-03 -5.2423000000e-03 -3.9443000000e-03 -2.6674000000e-03  2.0010000000e-04 -6.3231000000e-03  1.0706100000e-02  1.4917000000e-03  5.4705000000e-03 -9.2062000000e-03 -2.0650000000e-04  2.4557000000e-03  1.3921000000e-03
-
-JOB 363
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8614100000e-01  5.8007100000e-01  3.3009000000e-01  8.1139600000e-01  3.5988300000e-01  3.5826200000e-01  2.4563240000e+00  1.1387600000e+00  1.2057130000e+00  2.9932110000e+00  5.5917300000e-01  6.6528400000e-01  2.5609940000e+00  2.0030420000e+00  8.0785400000e-01
-ENERGY -1.526604430263e+02
-FORCES  5.4950000000e-03  5.8550000000e-03  7.0891000000e-03  2.0526000000e-03 -1.4253000000e-03 -1.4524000000e-03 -5.8662000000e-03 -4.8198000000e-03 -7.1907000000e-03  5.4703000000e-03  2.3211000000e-03 -2.0243000000e-03 -5.6496000000e-03  3.0480000000e-03  1.9565000000e-03 -1.5020000000e-03 -4.9791000000e-03  1.6218000000e-03
-
-JOB 364
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1926900000e-01 -5.1858300000e-01 -3.6049300000e-01 -2.0984100000e-01  9.0207900000e-01 -2.4176700000e-01 -7.4285000000e-01 -3.9927600000e-01  2.9859520000e+00 -5.3585600000e-01 -3.3660300000e-01  2.0535050000e+00 -3.2755000000e-02 -9.2470400000e-01  3.3546290000e+00
-ENERGY -1.526612231531e+02
-FORCES -2.3537000000e-03  3.1227000000e-03 -6.0694000000e-03  3.4046000000e-03  2.7681000000e-03  3.6937000000e-03  6.0790000000e-04 -4.8767000000e-03  1.0763000000e-03  5.5666000000e-03 -4.5940000000e-04 -6.4216000000e-03 -4.7561000000e-03 -2.0904000000e-03  8.8216000000e-03 -2.4693000000e-03  1.5356000000e-03 -1.1005000000e-03
-
-JOB 365
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3794400000e-01 -2.0576600000e-01 -9.2458800000e-01  6.6288500000e-01 -5.1352500000e-01  4.6163500000e-01 -6.4264500000e-01  2.7081390000e+00  5.6773300000e-01 -9.7482200000e-01  2.6596760000e+00  1.4641380000e+00 -4.5969000000e-01  1.7991280000e+00  3.3012300000e-01
-ENERGY -1.526614999377e+02
-FORCES  3.2523000000e-03 -2.7250000000e-04 -5.3030000000e-04 -4.0400000000e-05  8.7850000000e-04  5.0159000000e-03 -3.2671000000e-03  1.4970000000e-03 -3.0382000000e-03  1.4152000000e-03 -1.1721700000e-02  4.1240000000e-04  1.3660000000e-03 -4.0300000000e-05 -2.2605000000e-03 -2.7260000000e-03  9.6590000000e-03  4.0070000000e-04
-
-JOB 366
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7205600000e-01  5.0508400000e-01 -4.5767100000e-01 -7.8337600000e-01  5.4834500000e-01 -4.3256000000e-02  2.2298700000e-01  8.3595500000e-01  2.8408920000e+00  3.9480500000e-01  6.4489100000e-01  1.9188260000e+00  1.0788730000e+00  1.0675530000e+00  3.2015200000e+00
-ENERGY -1.526597309090e+02
-FORCES -3.3004000000e-03  2.2878000000e-03 -5.4392000000e-03 -2.9023000000e-03 -1.8914000000e-03  4.8934000000e-03  5.5680000000e-03 -2.3736000000e-03  1.2763000000e-03  2.6376000000e-03 -3.6491000000e-03 -6.8827000000e-03  5.6570000000e-04  6.4750000000e-03  8.6981000000e-03 -2.5686000000e-03 -8.4870000000e-04 -2.5459000000e-03
-
-JOB 367
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5149300000e-01 -5.7887000000e-01 -1.2806200000e-01 -3.2114400000e-01  8.6788100000e-01 -2.4470400000e-01 -2.3572700000e+00 -1.5150250000e+00 -4.2183800000e-01 -2.1676590000e+00 -1.5365970000e+00 -1.3598220000e+00 -2.2769430000e+00 -2.4261790000e+00 -1.3974200000e-01
-ENERGY -1.526601663256e+02
-FORCES -1.2350200000e-02 -3.7683000000e-03 -7.5000000000e-06  9.7004000000e-03  3.7625000000e-03 -2.7324000000e-03  8.3990000000e-04 -2.8817000000e-03 -1.4200000000e-04 -1.2480000000e-04 -3.9190000000e-03 -1.6547000000e-03  1.5882000000e-03  1.6702000000e-03  6.6641000000e-03  3.4660000000e-04  5.1363000000e-03 -2.1276000000e-03
-
-JOB 368
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7397200000e-01  3.7236600000e-01  1.1725600000e-01 -1.4536800000e-01 -9.4521200000e-01 -4.0924000000e-02 -2.2416180000e+00  1.3118420000e+00  4.4981200000e-01 -2.5505160000e+00  1.5540940000e+00  1.3228120000e+00 -2.1227870000e+00  2.1467710000e+00 -2.9630000000e-03
-ENERGY -1.526598251163e+02
-FORCES -1.5739500000e-02  6.7468000000e-03  3.4368000000e-03  8.1203000000e-03 -3.7397000000e-03 -4.1090000000e-03 -1.3098000000e-03  3.0656000000e-03  8.8790000000e-04  8.5554000000e-03 -1.6572000000e-03  1.3992000000e-03  7.7590000000e-04  1.8780000000e-04 -4.9817000000e-03 -4.0220000000e-04 -4.6034000000e-03  3.3668000000e-03
-
-JOB 369
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7743000000e-02 -1.2344700000e-01  9.4744800000e-01 -7.3982400000e-01 -4.9494000000e-01 -3.5203400000e-01 -1.8961250000e+00 -1.4594590000e+00 -1.1608100000e+00 -2.1046940000e+00 -1.5359190000e+00 -2.0918760000e+00 -1.9294650000e+00 -2.3580940000e+00 -8.3282100000e-01
-ENERGY -1.526592402811e+02
-FORCES -1.2265300000e-02 -8.1242000000e-03 -6.3852000000e-03 -1.0436000000e-03 -1.4338000000e-03 -3.1674000000e-03  6.0108000000e-03  3.6735000000e-03  6.1790000000e-03  7.0037000000e-03  2.8254000000e-03  3.1690000000e-04  2.0780000000e-04 -1.7170000000e-03  4.8896000000e-03  8.6500000000e-05  4.7762000000e-03 -1.8329000000e-03
-
-JOB 370
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2111000000e-02 -5.2950000000e-02  9.5519500000e-01 -7.8278100000e-01  4.9620600000e-01 -2.3930000000e-01  2.3216210000e+00  1.2455110000e+00 -9.2001700000e-01  1.5361040000e+00  7.4414400000e-01 -7.0132800000e-01  2.1584080000e+00  2.1168700000e+00 -5.5900900000e-01
-ENERGY -1.526604515909e+02
-FORCES -1.6510000000e-04  2.3549000000e-03  2.2804000000e-03 -7.0330000000e-04  1.2246000000e-03 -5.0717000000e-03  4.7115000000e-03 -1.7070000000e-03  2.0404000000e-03 -1.1927800000e-02 -4.3174000000e-03  5.4394000000e-03  8.0645000000e-03  4.8024000000e-03 -3.9113000000e-03  2.0300000000e-05 -2.3574000000e-03 -7.7730000000e-04
-
-JOB 371
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1940500000e-01 -3.4512500000e-01 -3.5453700000e-01 -2.1846000000e-02  9.1187800000e-01 -2.9023000000e-01  2.1635340000e+00 -1.3855910000e+00 -1.4701580000e+00  3.0058800000e+00 -1.1492240000e+00 -1.0818080000e+00  2.0784650000e+00 -2.3246910000e+00 -1.3055780000e+00
-ENERGY -1.526608716609e+02
-FORCES  6.6640000000e-03 -1.7472000000e-03 -6.7590000000e-03 -5.9424000000e-03  5.2661000000e-03  7.2415000000e-03  7.0560000000e-04 -2.8425000000e-03  9.8450000000e-04  2.9550000000e-03 -5.3855000000e-03 -1.1410000000e-04 -5.6043000000e-03 -3.3830000000e-04 -8.9250000000e-04  1.2220000000e-03  5.0474000000e-03 -4.6030000000e-04
-
-JOB 372
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4789700000e-01 -1.5008500000e-01 -7.7039900000e-01  8.3552000000e-01 -4.1447400000e-01 -2.1528700000e-01 -2.3045400000e-01 -2.9298700000e-01 -2.8404730000e+00 -8.0892200000e-01  2.7872600000e-01 -3.3452020000e+00 -2.3876000000e-01 -1.1234100000e+00 -3.3164570000e+00
-ENERGY -1.526589153513e+02
-FORCES  1.9953000000e-03 -2.4054000000e-03 -1.2625400000e-02 -2.1738000000e-03  1.1175000000e-03  7.2235000000e-03 -1.4621000000e-03  4.5800000000e-04  2.8870000000e-03 -7.9940000000e-04  1.3850000000e-04 -3.2242000000e-03  2.2583000000e-03 -3.5394000000e-03  3.0226000000e-03  1.8170000000e-04  4.2307000000e-03  2.7164000000e-03
-
-JOB 373
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8498000000e-02  9.4913700000e-01  1.2065700000e-01 -7.5773800000e-01 -3.2646600000e-01  4.8526900000e-01 -1.9625100000e-01  2.7102890000e+00  6.4291200000e-01  7.0596000000e-01  3.0296120000e+00  6.2615800000e-01 -2.8837000000e-01  2.2961960000e+00  1.5009750000e+00
-ENERGY -1.526580335869e+02
-FORCES -4.2590000000e-03  1.2888100000e-02  8.7380000000e-04  2.5067000000e-03 -9.8708000000e-03  3.6306000000e-03  2.7995000000e-03  2.2958000000e-03 -1.6270000000e-04  3.5773000000e-03 -1.1100000000e-04  3.5533000000e-03 -5.0946000000e-03 -3.2762000000e-03 -1.2470000000e-04  4.7020000000e-04 -1.9259000000e-03 -7.7702000000e-03
-
-JOB 374
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5103000000e-02  3.2573700000e-01  8.9894000000e-01 -8.5253400000e-01 -4.0843900000e-01 -1.5031500000e-01  7.8045000000e-02  4.5413800000e-01 -3.9055230000e+00 -5.8384000000e-02  1.3607710000e+00 -3.6305050000e+00 -7.7704100000e-01  3.8475000000e-02 -3.7946930000e+00
-ENERGY -1.526532924166e+02
-FORCES -3.2366000000e-03 -1.0391000000e-03  3.3339000000e-03  2.3800000000e-04 -1.2026000000e-03 -3.9801000000e-03  3.1746000000e-03  2.0424000000e-03  2.7710000000e-04 -3.3012000000e-03  2.1671000000e-03  3.1430000000e-03  1.3750000000e-04 -3.3781000000e-03 -2.1564000000e-03  2.9876000000e-03  1.4103000000e-03 -6.1750000000e-04
-
-JOB 375
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8962000000e-02  6.3971000000e-02 -9.5323800000e-01 -5.1928000000e-02 -9.3845400000e-01  1.8121800000e-01  2.3303480000e+00  1.1685340000e+00  7.6022600000e-01  1.4945320000e+00  7.7831000000e-01  5.0455400000e-01  2.2691170000e+00  2.0785840000e+00  4.6989600000e-01
-ENERGY -1.526604499609e+02
-FORCES  4.3781000000e-03 -1.6480000000e-03 -7.5530000000e-04  1.0585000000e-03 -1.5660000000e-04  5.4041000000e-03  2.6540000000e-04  5.0313000000e-03 -2.0260000000e-03 -1.4452800000e-02 -4.7184000000e-03 -3.7376000000e-03  9.6110000000e-03  4.5395000000e-03  1.4342000000e-03 -8.6020000000e-04 -3.0477000000e-03 -3.1940000000e-04
-
-JOB 376
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9229500000e-01 -8.6558300000e-01  3.6058400000e-01  6.9371000000e-02 -1.1405300000e-01 -9.4784600000e-01 -2.6524100000e-01  2.2453400000e-01 -2.7836920000e+00 -9.3382500000e-01  6.0942300000e-01 -3.3503380000e+00 -1.9692700000e-01 -6.8430700000e-01 -3.0762220000e+00
-ENERGY -1.526580864866e+02
-FORCES -7.7890000000e-04  5.9970000000e-04 -9.5322000000e-03 -8.4080000000e-04  2.3523000000e-03 -3.3341000000e-03  2.8577000000e-03 -5.5839000000e-03  7.9550000000e-03 -4.7994000000e-03  1.3306000000e-03 -4.3960000000e-04  3.6706000000e-03 -2.9600000000e-03  7.9320000000e-04 -1.0920000000e-04  4.2614000000e-03  4.5577000000e-03
-
-JOB 377
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1319300000e-01  7.1012800000e-01 -3.8546500000e-01 -8.8162200000e-01  1.2252900000e-01 -3.5208100000e-01  4.1385500000e-01 -2.8770320000e+00 -1.1431980000e+00  4.4095700000e-01 -2.0421440000e+00 -6.7580200000e-01 -3.4368800000e-01 -3.3329210000e+00 -7.7641900000e-01
-ENERGY -1.526608285513e+02
-FORCES -1.7352000000e-03  6.1173000000e-03 -2.9567000000e-03 -2.9140000000e-03 -3.1722000000e-03  1.7578000000e-03  4.3956000000e-03 -1.2306000000e-03  1.7396000000e-03 -2.1340000000e-03  5.3915000000e-03  5.3286000000e-03  3.6090000000e-04 -8.9393000000e-03 -4.3244000000e-03  2.0268000000e-03  1.8333000000e-03 -1.5449000000e-03
-
-JOB 378
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1811300000e-01  4.1133000000e-01 -2.7880300000e-01 -1.3392400000e-01 -9.3400100000e-01 -1.6105300000e-01  2.5643690000e+00  1.1713290000e+00 -3.7314500000e-01  2.7390780000e+00  1.3213740000e+00 -1.3022270000e+00  1.7734300000e+00  6.3233400000e-01 -3.6167300000e-01
-ENERGY -1.526606852979e+02
-FORCES -3.2736000000e-03  8.0880000000e-04 -8.1630000000e-04  3.2951000000e-03 -3.4233000000e-03  1.0919000000e-03  9.7520000000e-04  5.1879000000e-03 -7.0300000000e-05 -9.6438000000e-03 -3.9960000000e-03 -8.3740000000e-04 -1.3935000000e-03 -7.4990000000e-04  2.7096000000e-03  1.0040600000e-02  2.1724000000e-03 -2.0775000000e-03
-
-JOB 379
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6785000000e-02  4.4647000000e-02 -9.5501300000e-01  7.0672100000e-01 -6.2087600000e-01  1.7688900000e-01  1.5812470000e+00 -1.8068230000e+00  3.3408110000e+00  1.6664310000e+00 -1.6384150000e+00  2.4024000000e+00  1.7356590000e+00 -2.7471840000e+00  3.4308620000e+00
-ENERGY -1.526519260321e+02
-FORCES  2.2839000000e-03 -1.9178000000e-03 -3.9999000000e-03  8.5100000000e-05 -1.5850000000e-04  4.2315000000e-03 -2.0973000000e-03  1.7905000000e-03  8.0730000000e-04  6.1190000000e-04 -3.1956000000e-03 -2.9259000000e-03 -2.9050000000e-04 -6.3290000000e-04  2.3415000000e-03 -5.9310000000e-04  4.1142000000e-03 -4.5460000000e-04
-
-JOB 380
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9475100000e-01 -9.0613200000e-01 -2.3922500000e-01 -8.4136400000e-01  4.5168800000e-01 -6.5698000000e-02 -2.2567170000e+00  1.2488680000e+00 -8.1111600000e-01 -1.9728370000e+00  1.1053030000e+00 -1.7139080000e+00 -2.1763230000e+00  2.1938610000e+00 -6.8166200000e-01
-ENERGY -1.526596599553e+02
-FORCES -1.5366400000e-02  4.9524000000e-03 -2.7366000000e-03 -2.1100000000e-05  3.1680000000e-03 -6.2420000000e-04  9.5853000000e-03 -3.4264000000e-03  1.0661000000e-03  5.9972000000e-03  7.1430000000e-04 -2.7802000000e-03 -9.6150000000e-04  1.6800000000e-04  5.7929000000e-03  7.6640000000e-04 -5.5763000000e-03 -7.1790000000e-04
-
-JOB 381
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4427200000e-01 -2.9682800000e-01 -3.3960200000e-01 -6.3750600000e-01 -6.0436600000e-01 -3.8021000000e-01 -1.6599900000e-01 -1.0228500000e-01  3.0560170000e+00  7.5994200000e-01  2.8726000000e-02  3.2602270000e+00 -2.0591300000e-01 -8.3167000000e-02  2.0998400000e+00
-ENERGY -1.526609398022e+02
-FORCES  1.2004000000e-03 -3.3858000000e-03 -5.3400000000e-03 -4.1658000000e-03  1.2215000000e-03  1.8541000000e-03  3.5730000000e-03  2.8001000000e-03  2.4191000000e-03  3.3797000000e-03  1.7013000000e-03 -8.3743000000e-03 -2.6115000000e-03 -6.9800000000e-04 -5.0480000000e-04 -1.3758000000e-03 -1.6390000000e-03  9.9459000000e-03
-
-JOB 382
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8087000000e-02  9.1649000000e-02  9.5158800000e-01  6.8966600000e-01  5.7498900000e-01 -3.3163200000e-01  2.3313070000e+00  1.4298470000e+00 -7.3107400000e-01  2.3429660000e+00  1.4909350000e+00 -1.6862520000e+00  2.2360320000e+00  2.3347360000e+00 -4.3387000000e-01
-ENERGY -1.526602126895e+02
-FORCES  1.1975400000e-02  5.8808000000e-03 -1.0900000000e-04 -3.5970000000e-04  3.8340000000e-04 -2.6259000000e-03 -1.0070400000e-02 -3.0900000000e-03  6.8610000000e-04  9.4360000000e-04  2.5642000000e-03 -2.3535000000e-03 -1.5429000000e-03 -1.5910000000e-04  5.7636000000e-03 -9.4600000000e-04 -5.5793000000e-03 -1.3613000000e-03
-
-JOB 383
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3681200000e-01 -3.3187500000e-01  8.6603200000e-01  8.2188400000e-01  3.2916900000e-01 -3.6384900000e-01 -2.0166560000e+00  7.7490300000e-01 -1.6242090000e+00 -1.8451170000e+00  7.5955400000e-01 -2.5657880000e+00 -1.1709660000e+00  5.7490400000e-01 -1.2229110000e+00
-ENERGY -1.526572309878e+02
-FORCES -3.9815000000e-03  3.3520000000e-04  1.3941000000e-03  1.4146000000e-03  1.7457000000e-03 -4.3087000000e-03 -6.0756000000e-03 -1.2979000000e-03  1.6430000000e-04  8.0911000000e-03 -4.7221000000e-03  6.9726000000e-03  1.6434000000e-03 -2.4670000000e-04  3.8375000000e-03 -1.0919000000e-03  4.1859000000e-03 -8.0599000000e-03
-
-JOB 384
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8746300000e-01 -2.7685500000e-01 -4.6849300000e-01  9.0146000000e-02  9.2942100000e-01 -2.1043200000e-01  5.8990800000e-01  2.6565810000e+00 -9.5138200000e-01  5.7623600000e-01  2.2693210000e+00 -1.8266380000e+00 -2.9139300000e-01  3.0104520000e+00 -8.3173100000e-01
-ENERGY -1.526582071289e+02
-FORCES  1.1304000000e-03  9.6736000000e-03 -2.8797000000e-03  2.9417000000e-03  2.6310000000e-03  6.0840000000e-04 -5.5980000000e-03 -9.3599000000e-03  5.3480000000e-04 -1.0713000000e-03  2.1721000000e-03 -4.8704000000e-03 -1.6996000000e-03  4.1400000000e-04  6.4299000000e-03  4.2969000000e-03 -5.5308000000e-03  1.7710000000e-04
-
-JOB 385
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6824500000e-01  5.6964400000e-01 -3.9202000000e-02  7.4536500000e-01  5.9928500000e-01 -3.8983000000e-02 -4.9579000000e-02 -2.6253160000e+00  1.0220010000e+00  7.4620000000e-03 -1.7741890000e+00  5.8776500000e-01  7.7854800000e-01 -3.0574060000e+00  8.1287300000e-01
-ENERGY -1.526611300403e+02
-FORCES -7.0120000000e-04  9.7020000000e-04  1.9192000000e-03  4.6442000000e-03 -1.3286000000e-03 -1.2070000000e-04 -4.0635000000e-03 -1.9883000000e-03 -2.3930000000e-04  2.1340000000e-03  9.5798000000e-03 -4.9184000000e-03 -4.9100000000e-05 -9.4265000000e-03  2.9073000000e-03 -1.9644000000e-03  2.1933000000e-03  4.5180000000e-04
-
-JOB 386
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4371500000e-01 -8.4700700000e-01 -4.2208600000e-01  7.8693900000e-01  5.0579500000e-01 -2.0280500000e-01  1.9421700000e-01  3.3916300000e-01  2.8189330000e+00  2.8255400000e-01  3.9431800000e-01  1.8674160000e+00  1.0337730000e+00  6.5140700000e-01  3.1563960000e+00
-ENERGY -1.526578807853e+02
-FORCES  1.6951000000e-03 -4.5413000000e-03 -2.1923000000e-03 -1.5540000000e-04  4.9593000000e-03  7.8560000000e-04 -3.7917000000e-03 -2.7649000000e-03  5.6946000000e-03 -1.6390000000e-04 -1.2974000000e-03 -9.3023000000e-03  4.8380000000e-03  4.7437000000e-03  8.2655000000e-03 -2.4221000000e-03 -1.0993000000e-03 -3.2512000000e-03
-
-JOB 387
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9675900000e-01  5.0145100000e-01  4.2344600000e-01  8.0307000000e-01  2.9558800000e-01  4.2888000000e-01 -2.2527800000e-01 -6.4815500000e-01 -2.6932940000e+00 -8.7755000000e-02 -5.3952100000e-01 -1.7522740000e+00 -1.0862570000e+00 -2.6285800000e-01 -2.8560610000e+00
-ENERGY -1.526602629296e+02
-FORCES  1.1210000000e-04  2.3178000000e-03 -2.0121000000e-03  3.9140000000e-03 -1.9052000000e-03 -1.6268000000e-03 -4.7223000000e-03 -8.5520000000e-04 -1.2005000000e-03 -1.1550000000e-03  4.2121000000e-03  1.2752600000e-02 -1.8320000000e-04 -2.9105000000e-03 -8.6508000000e-03  2.0344000000e-03 -8.5890000000e-04  7.3760000000e-04
-
-JOB 388
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4341800000e-01  8.1431000000e-02  1.3986800000e-01 -2.0308100000e-01 -9.0085400000e-01  2.5189600000e-01 -2.3417100000e+00  1.0646470000e+00  6.9224400000e-01 -2.4234310000e+00  9.4154700000e-01  1.6379710000e+00 -1.4067000000e+00  9.5938200000e-01  5.1643800000e-01
-ENERGY -1.526592262753e+02
-FORCES -4.8563000000e-03 -1.1360000000e-03  2.1295000000e-03 -5.1264000000e-03 -1.4279000000e-03  6.5500000000e-05  2.7007000000e-03  4.9515000000e-03 -2.3940000000e-04  1.4176000000e-02 -4.0456000000e-03 -1.8771000000e-03  1.2242000000e-03 -8.0630000000e-04 -2.9245000000e-03 -8.1183000000e-03  2.4643000000e-03  2.8460000000e-03
-
-JOB 389
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3540000000e-03 -3.4634400000e-01 -8.9233300000e-01 -6.6267000000e-01 -5.1909400000e-01  4.5567700000e-01 -1.8969150000e+00 -1.0741780000e+00  1.6292470000e+00 -2.1246580000e+00 -1.0090240000e+00  2.5566740000e+00 -2.6736160000e+00 -7.5683300000e-01  1.1685310000e+00
-ENERGY -1.526591620394e+02
-FORCES -6.7796000000e-03 -6.4449000000e-03  7.6375000000e-03 -2.0966000000e-03  3.7790000000e-04  3.5437000000e-03  2.3766000000e-03  3.4993000000e-03 -9.2933000000e-03  2.3789000000e-03  4.6338000000e-03  1.4314000000e-03 -1.3513000000e-03 -4.6530000000e-04 -4.6691000000e-03  5.4719000000e-03 -1.6007000000e-03  1.3498000000e-03
-
-JOB 390
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0960400000e-01  9.7989000000e-02 -9.2881400000e-01  2.9134300000e-01  8.1958700000e-01  3.9953400000e-01  4.5194400000e-01  5.5603400000e-01 -2.5696750000e+00  1.1725560000e+00  2.7063100000e-01 -3.1313650000e+00  3.0083400000e-01  1.4680360000e+00 -2.8179670000e+00
-ENERGY -1.526591495510e+02
-FORCES  4.1907000000e-03  5.0136000000e-03 -1.5699700000e-02 -1.4810000000e-03 -2.0953000000e-03  8.0444000000e-03 -9.5670000000e-04 -1.4868000000e-03 -1.7590000000e-03 -1.8200000000e-04  3.9080000000e-04  6.1694000000e-03 -3.7933000000e-03  2.8108000000e-03  2.4543000000e-03  2.2224000000e-03 -4.6330000000e-03  7.9060000000e-04
-
-JOB 391
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5525900000e-01  1.6711400000e-01  9.0727500000e-01  6.0368000000e-01 -7.4093200000e-01  5.3125000000e-02 -2.9841010000e+00 -3.5665820000e+00 -1.8748000000e-01 -2.1878260000e+00 -4.0400290000e+00 -4.2836500000e-01 -2.8293370000e+00 -2.6699200000e+00 -4.8459600000e-01
-ENERGY -1.526551292227e+02
-FORCES  2.2665000000e-03 -1.4207000000e-03  4.5251000000e-03  9.7540000000e-04 -8.4160000000e-04 -4.0404000000e-03 -2.9612000000e-03  2.7097000000e-03 -5.3140000000e-04  3.7128000000e-03  2.1911000000e-03 -2.7358000000e-03 -3.0086000000e-03  1.7495000000e-03  1.2410000000e-03 -9.8490000000e-04 -4.3879000000e-03  1.5415000000e-03
-
-JOB 392
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0011000000e-01  4.4982900000e-01  2.7149600000e-01  2.9918000000e-02 -8.4014200000e-01  4.5771000000e-01  1.4867810000e+00  1.8373460000e+00 -3.2667110000e+00  6.0800400000e-01  1.4948930000e+00 -3.1032810000e+00  1.4143080000e+00  2.7761800000e+00 -3.0947500000e+00
-ENERGY -1.526559801916e+02
-FORCES  4.0087000000e-03 -2.0797000000e-03  3.1962000000e-03 -3.8720000000e-03 -1.7490000000e-03 -6.0620000000e-04 -1.2530000000e-04  3.4707000000e-03 -1.6951000000e-03 -4.7306000000e-03  1.7166000000e-03  1.3012000000e-03  4.1512000000e-03  2.3330000000e-03 -1.7523000000e-03  5.6790000000e-04 -3.6916000000e-03 -4.4380000000e-04
-
-JOB 393
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5965000000e-01  5.7935600000e-01 -5.9243000000e-02  7.4190500000e-01  5.5071300000e-01 -2.5004800000e-01  2.4070130000e+00  1.1494540000e+00 -7.0167200000e-01  3.1297690000e+00  7.2297900000e-01 -2.4126500000e-01  2.4662510000e+00  2.0688450000e+00 -4.4197200000e-01
-ENERGY -1.526603792600e+02
-FORCES  1.0261100000e-02  6.1275000000e-03 -4.5129000000e-03  3.7940000000e-03 -2.5930000000e-04 -1.0420000000e-04 -1.0490700000e-02 -2.2413000000e-03  3.9150000000e-03  1.5446000000e-03 -1.7973000000e-03  3.7012000000e-03 -3.2638000000e-03  3.5023000000e-03 -2.3798000000e-03 -1.8452000000e-03 -5.3319000000e-03 -6.1930000000e-04
-
-JOB 394
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0016100000e-01 -1.9740600000e-01  9.1498500000e-01 -1.7226000000e-02  9.5616600000e-01 -4.1001000000e-02  2.6443400000e-01  2.4848500000e-01  2.7669580000e+00  2.2885400000e-01  1.1861670000e+00  2.9559500000e+00  9.6174800000e-01 -8.3959000000e-02  3.3321710000e+00
-ENERGY -1.526590764124e+02
-FORCES  1.2538000000e-03  3.5026000000e-03  1.3573100000e-02  2.4460000000e-04 -2.3496000000e-03 -8.3768000000e-03 -1.6290000000e-04 -1.8809000000e-03 -2.5620000000e-04  1.1965000000e-03  3.1762000000e-03 -6.1700000000e-04  8.7160000000e-04 -4.5926000000e-03 -1.0496000000e-03 -3.4035000000e-03  2.1444000000e-03 -3.2735000000e-03
-
-JOB 395
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3131800000e-01 -6.5916300000e-01 -4.4658400000e-01  8.3990700000e-01 -1.7689000000e-02 -4.5877600000e-01 -2.2997680000e+00 -1.7462740000e+00 -7.4801000000e-01 -2.9846180000e+00 -1.1810980000e+00 -3.9053400000e-01 -2.4200540000e+00 -2.5827760000e+00 -2.9853500000e-01
-ENERGY -1.526617554722e+02
-FORCES -3.3101000000e-03 -5.2542000000e-03 -4.2032000000e-03  7.9403000000e-03  6.6650000000e-03  2.6528000000e-03 -3.1882000000e-03 -8.1960000000e-04  1.1896000000e-03 -4.7371000000e-03 -1.0658000000e-03  4.1586000000e-03  3.1731000000e-03 -3.4690000000e-03 -1.7140000000e-03  1.2200000000e-04  3.9436000000e-03 -2.0838000000e-03
-
-JOB 396
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4114200000e-01 -5.2000400000e-01 -3.1070300000e-01 -1.2915900000e-01  8.6209500000e-01 -3.9540000000e-01 -3.2229300000e-01  4.9323200000e-01  2.8815740000e+00 -4.0552000000e-02  6.3868700000e-01  1.9784150000e+00  3.8064000000e-01 -2.6450000000e-02  3.2715060000e+00
-ENERGY -1.526596157641e+02
-FORCES -5.4435000000e-03 -1.8371000000e-03 -2.7322000000e-03  3.8861000000e-03  2.8576000000e-03 -2.9100000000e-05  4.8420000000e-04 -3.7980000000e-03  4.4986000000e-03  4.3076000000e-03 -3.9114000000e-03 -8.6016000000e-03 -8.6610000000e-04  5.0973000000e-03  7.7676000000e-03 -2.3683000000e-03  1.5915000000e-03 -9.0320000000e-04
-
-JOB 397
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8989000000e-01 -2.1618600000e-01  4.9554900000e-01 -2.4731000000e-01 -8.2013400000e-01 -4.2714300000e-01 -1.3056100000e-01 -2.8070310000e+00 -1.1734960000e+00 -1.3399200000e-01 -2.8532610000e+00 -2.1295730000e+00 -9.6269300000e-01 -3.2007200000e+00 -9.1120400000e-01
-ENERGY -1.526611342425e+02
-FORCES  2.8784000000e-03 -9.4268000000e-03 -1.9951000000e-03 -2.3212000000e-03  1.6856000000e-03 -9.4500000000e-04 -1.9612000000e-03  8.6808000000e-03  3.3118000000e-03 -2.0832000000e-03 -4.4244000000e-03 -3.9209000000e-03 -5.7580000000e-04  2.2830000000e-04  4.9802000000e-03  4.0630000000e-03  3.2566000000e-03 -1.4310000000e-03
-
-JOB 398
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9119000000e-02  9.3179800000e-01 -2.1092500000e-01  7.3986800000e-01 -3.1686600000e-01 -5.1809600000e-01  2.6511580000e+00 -2.3337400000e-01 -9.2781500000e-01  2.5047060000e+00 -2.3938800000e-01 -1.8737260000e+00  2.9131310000e+00 -1.1302250000e+00 -7.1982200000e-01
-ENERGY -1.526572133520e+02
-FORCES  1.3404100000e-02  3.0653000000e-03 -3.7629000000e-03 -8.2110000000e-04 -2.7111000000e-03  1.2800000000e-04 -8.5899000000e-03 -2.8643000000e-03 -1.0909000000e-03  2.2837000000e-03 -2.2401000000e-03 -1.8630000000e-04 -2.8574000000e-03 -8.2200000000e-05  6.5690000000e-03 -3.4194000000e-03  4.8324000000e-03 -1.6569000000e-03
-
-JOB 399
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2821000000e-02  2.9402700000e-01 -9.1083200000e-01  6.0455200000e-01  5.9962600000e-01  4.3726100000e-01  2.2401900000e-01  5.9987600000e-01 -2.8338320000e+00 -5.6560100000e-01  9.6780800000e-01 -3.2305140000e+00  9.3794300000e-01  1.1366100000e+00 -3.1780130000e+00
-ENERGY -1.526608632098e+02
-FORCES  2.9202000000e-03  3.6413000000e-03 -9.2917000000e-03 -2.5082000000e-03 -1.1292000000e-03  1.0220200000e-02 -1.5607000000e-03 -1.5846000000e-03 -1.7379000000e-03  7.9520000000e-04  2.5437000000e-03 -3.3437000000e-03  4.4215000000e-03 -1.3891000000e-03  2.6417000000e-03 -4.0680000000e-03 -2.0820000000e-03  1.5114000000e-03
-
-JOB 400
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7520000000e-03 -9.0011400000e-01  3.2554800000e-01  6.8827800000e-01  4.4061500000e-01  4.9836100000e-01  1.6780600000e-01 -1.9531200000e-01  4.2185740000e+00  1.3760400000e-01 -5.1664700000e-01  5.1197190000e+00 -6.6381100000e-01  2.6342000000e-01  4.0993640000e+00
-ENERGY -1.526560485932e+02
-FORCES  3.4645000000e-03 -2.2204000000e-03  4.1852000000e-03 -4.4810000000e-04  3.4474000000e-03 -2.1381000000e-03 -2.9579000000e-03 -1.2445000000e-03 -2.8735000000e-03 -3.7742000000e-03  7.2750000000e-04  3.8593000000e-03 -8.9000000000e-06  1.3262000000e-03 -3.7283000000e-03  3.7246000000e-03 -2.0361000000e-03  6.9530000000e-04
-
-JOB 401
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0597500000e-01  4.5272900000e-01  8.1782800000e-01 -7.3525000000e-01  4.9063400000e-01 -3.6731100000e-01  2.3562870000e+00  1.1708160000e+00 -7.1493000000e-01  1.5233400000e+00  7.2034500000e-01 -5.7526100000e-01  2.9860750000e+00  6.7990100000e-01 -1.8710300000e-01
-ENERGY -1.526588189549e+02
-FORCES -9.8700000000e-05  4.9807000000e-03  8.2760000000e-04  2.3087000000e-03 -1.9046000000e-03 -7.2241000000e-03  4.9428000000e-03 -2.0085000000e-03  2.2094000000e-03 -1.1581600000e-02 -1.0125300000e-02  2.1118000000e-03  7.6086000000e-03  7.5498000000e-03  2.3850000000e-03 -3.1798000000e-03  1.5079000000e-03 -3.0980000000e-04
-
-JOB 402
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4362600000e-01 -4.3497900000e-01 -1.2377900000e-01 -5.3195600000e-01 -2.9307100000e-01 -7.3984100000e-01  1.9495740000e+00  3.5667100000e+00  2.8441270000e+00  1.2528350000e+00  3.0950520000e+00  3.3005550000e+00  1.8543060000e+00  4.4742270000e+00  3.1332090000e+00
-ENERGY -1.526542573447e+02
-FORCES  1.7327000000e-03 -2.6396000000e-03 -3.6837000000e-03 -3.6869000000e-03  1.4368000000e-03  4.7720000000e-04  2.0817000000e-03  1.1534000000e-03  3.0376000000e-03 -3.7836000000e-03  1.3877000000e-03  2.6196000000e-03  3.1818000000e-03  2.2511000000e-03 -1.3185000000e-03  4.7440000000e-04 -3.5894000000e-03 -1.1322000000e-03
-
-JOB 403
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5637000000e-01  3.5413300000e-01 -6.9374000000e-01  2.3765500000e-01 -8.7519900000e-01 -3.0623200000e-01  8.1509200000e-01 -2.5343100000e+00 -4.9342200000e-01  5.2615000000e-01 -2.6326330000e+00 -1.4006580000e+00  1.5555710000e+00 -3.1352400000e+00 -4.1092300000e-01
-ENERGY -1.526571283219e+02
-FORCES  4.0363000000e-03 -1.1509000000e-02 -1.5140000000e-03  2.3443000000e-03 -3.4827000000e-03  1.0176000000e-03 -5.7134000000e-03  6.8376000000e-03 -4.1567000000e-03  2.7509000000e-03  2.9133000000e-03  1.2063000000e-03  1.0328000000e-03  3.8818000000e-03  5.4826000000e-03 -4.4510000000e-03  1.3590000000e-03 -2.0358000000e-03
-
-JOB 404
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7055000000e-01 -7.8793100000e-01 -5.1605200000e-01 -6.1291600000e-01  6.4966700000e-01 -3.4423600000e-01 -2.7099000000e-02  5.4733300000e-01  2.6819470000e+00 -1.8240000000e-02  3.5825300000e-01  1.7436500000e+00 -8.9897000000e-01  9.0666300000e-01  2.8461260000e+00
-ENERGY -1.526592958432e+02
-FORCES -1.8349000000e-03 -1.8262000000e-03  1.8793000000e-03  5.9400000000e-05  5.0686000000e-03  1.0833000000e-03  2.3754000000e-03 -3.9728000000e-03  3.8191000000e-03 -1.1541000000e-03 -3.7627000000e-03 -1.3065000000e-02 -1.7697000000e-03  5.3400000000e-03  8.4076000000e-03  2.3238000000e-03 -8.4690000000e-04 -2.1243000000e-03
-
-JOB 405
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3092800000e-01  3.4982000000e-02 -9.4755800000e-01  7.5597000000e-01  4.6078200000e-01  3.6389600000e-01  4.4144000000e-02 -2.7259740000e+00  7.8022000000e-01  3.7204000000e-02 -2.7244520000e+00  1.7373940000e+00  8.5416000000e-02 -1.8005720000e+00  5.3905500000e-01
-ENERGY -1.526612056402e+02
-FORCES  2.5470000000e-03  1.5324000000e-03 -2.8699000000e-03  7.1700000000e-05 -3.8500000000e-04  5.5526000000e-03 -3.8221000000e-03 -3.5201000000e-03 -1.7180000000e-03 -1.5097000000e-03  1.2221900000e-02 -6.5670000000e-04  5.6870000000e-04  8.3890000000e-04 -2.7800000000e-03  2.1445000000e-03 -1.0688200000e-02  2.4720000000e-03
-
-JOB 406
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2855000000e-02  1.2422000000e-02  9.5352600000e-01 -8.7416000000e-01 -2.3145200000e-01 -3.1385600000e-01  4.1531200000e-01 -1.0497100000e-01  2.6779090000e+00  1.2367410000e+00 -5.5451800000e-01  2.8763850000e+00  6.1416400000e-01  8.2333500000e-01  2.8001340000e+00
-ENERGY -1.526602940469e+02
-FORCES  2.4100000000e-04 -2.5062000000e-03  1.3656300000e-02 -2.4379000000e-03  4.6265000000e-03 -9.8165000000e-03  2.4345000000e-03  5.6580000000e-04  2.8430000000e-03  5.2222000000e-03 -6.2520000000e-04 -4.1959000000e-03 -3.8480000000e-03  3.3205000000e-03  4.1550000000e-04 -1.6117000000e-03 -5.3813000000e-03 -2.9025000000e-03
-
-JOB 407
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0689100000e-01 -4.2779700000e-01 -2.8661700000e-01 -6.9824100000e-01 -5.9046500000e-01 -2.8291900000e-01  2.0030620000e+00 -1.7059560000e+00 -5.4161600000e-01  2.3281260000e+00 -1.9623200000e+00 -1.4046590000e+00  2.0353070000e+00 -2.5106560000e+00 -2.4268000000e-02
-ENERGY -1.526592087567e+02
-FORCES  1.0326400000e-02 -1.2066200000e-02 -4.4296000000e-03 -4.7327000000e-03  6.2880000000e-03  6.5250000000e-04  1.3792000000e-03  1.3221000000e-03  9.2080000000e-04 -5.1757000000e-03  1.2267000000e-03  2.4737000000e-03 -2.3049000000e-03  3.6850000000e-04  4.6997000000e-03  5.0770000000e-04  2.8608000000e-03 -4.3171000000e-03
-
-JOB 408
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8761200000e-01 -7.6236600000e-01 -3.1187400000e-01 -1.2988800000e-01 -1.6387800000e-01  9.3408000000e-01 -2.6640300000e-01 -3.7967700000e-01  2.6560490000e+00  2.4782700000e-01 -8.6478600000e-01  3.3013920000e+00 -3.5331300000e-01  4.9765300000e-01  3.0288370000e+00
-ENERGY -1.526597109687e+02
-FORCES -1.3620000000e-04 -5.5320000000e-03  1.4932600000e-02 -1.0411000000e-03  1.6918000000e-03  1.4462000000e-03 -6.1640000000e-04  4.3182000000e-03 -8.0252000000e-03  3.4936000000e-03  1.3783000000e-03 -4.1256000000e-03 -2.8050000000e-03  3.3122000000e-03 -2.0356000000e-03  1.1052000000e-03 -5.1685000000e-03 -2.1925000000e-03
-
-JOB 409
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7324000000e-02  7.8646000000e-02  9.5323300000e-01  8.1959400000e-01 -4.3381300000e-01 -2.3728500000e-01  5.8979800000e-01  2.7675490000e+00 -6.3006700000e-01  5.2260800000e-01  1.8626960000e+00 -3.2517400000e-01 -1.8952900000e-01  3.1978210000e+00 -2.7828900000e-01
-ENERGY -1.526594533785e+02
-FORCES  2.0151000000e-03 -4.4395000000e-03  1.7674000000e-03  5.2430000000e-04  2.4514000000e-03 -6.1290000000e-03 -4.1262000000e-03  4.2176000000e-03  1.7487000000e-03 -6.1667000000e-03 -9.9431000000e-03  2.0769000000e-03  5.1593000000e-03  9.0542000000e-03  8.9280000000e-04  2.5942000000e-03 -1.3406000000e-03 -3.5670000000e-04
-
-JOB 410
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2909000000e-01 -9.0160500000e-01  2.9440700000e-01  1.3655600000e-01 -7.3206000000e-02 -9.4457700000e-01 -3.5354200000e-01 -2.6797180000e+00  7.5531200000e-01  2.7853700000e-01 -3.3188570000e+00  4.2636100000e-01 -1.2067330000e+00 -3.0382940000e+00  5.1093400000e-01
-ENERGY -1.526609519758e+02
-FORCES -1.0301000000e-03 -1.2720000000e-02  1.3975000000e-03  5.9900000000e-04  9.9938000000e-03 -3.0868000000e-03 -3.9890000000e-04 -4.3510000000e-04  2.6184000000e-03 -1.4680000000e-04 -1.3944000000e-03 -2.2107000000e-03 -4.1008000000e-03  2.9754000000e-03  8.7340000000e-04  5.0776000000e-03  1.5803000000e-03  4.0820000000e-04
-
-JOB 411
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4058000000e-02  1.9604300000e-01  9.3397800000e-01  3.2445500000e-01  8.1143900000e-01 -3.9054900000e-01  5.9214800000e-01  2.5602130000e+00 -1.4381810000e+00  3.2553000000e-01  2.3048630000e+00 -2.3213250000e+00  1.3868290000e+00  3.0778530000e+00 -1.5676510000e+00
-ENERGY -1.526616918491e+02
-FORCES  1.8264000000e-03  8.7328000000e-03 -3.7040000000e-04  5.2610000000e-04 -6.0480000000e-04 -2.7821000000e-03 -2.4512000000e-03 -9.4029000000e-03  3.2347000000e-03  1.9613000000e-03  2.4254000000e-03 -4.8246000000e-03  2.1714000000e-03  1.0453000000e-03  4.7721000000e-03 -4.0339000000e-03 -2.1958000000e-03 -2.9700000000e-05
-
-JOB 412
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9601000000e-02 -1.3764100000e-01 -9.4469200000e-01  8.7520500000e-01  3.6683100000e-01  1.2523700000e-01  4.2006200000e-01  4.5704920000e+00  5.5690900000e-01  4.5135200000e-01  4.5877650000e+00  1.5134410000e+00  1.3235450000e+00  4.4006360000e+00  2.9026600000e-01
-ENERGY -1.526535490847e+02
-FORCES  2.8040000000e-03  1.6944000000e-03 -3.5901000000e-03  4.7060000000e-04  2.4730000000e-04  3.8477000000e-03 -3.0978000000e-03 -1.7306000000e-03 -3.2460000000e-04  3.2585000000e-03 -5.2610000000e-04  3.1710000000e-03  1.6220000000e-04  6.8800000000e-05 -4.0262000000e-03 -3.5975000000e-03  2.4610000000e-04  9.2230000000e-04
-
-JOB 413
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3542400000e-01 -4.2208100000e-01 -4.4410600000e-01  7.4729600000e-01 -1.4804900000e-01 -5.7953600000e-01  2.3081780000e+00 -1.1706450000e+00 -1.0620640000e+00  2.9470290000e+00 -6.8202500000e-01 -5.4307400000e-01  2.4896480000e+00 -2.0892160000e+00 -8.6324700000e-01
-ENERGY -1.526592226986e+02
-FORCES  7.5332000000e-03 -7.1440000000e-03 -7.2700000000e-03  2.2323000000e-03  7.6830000000e-04  1.4575000000e-03 -4.8053000000e-03  7.0620000000e-03  3.5878000000e-03 -1.2130000000e-03 -2.9489000000e-03  6.0558000000e-03 -4.5121000000e-03 -1.8995000000e-03 -2.5788000000e-03  7.6500000000e-04  4.1622000000e-03 -1.2523000000e-03
-
-JOB 414
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0713500000e-01 -4.8016600000e-01 -1.8494800000e-01  1.7607100000e-01  8.9090200000e-01 -3.0253100000e-01 -2.4113680000e+00 -1.3157420000e+00 -8.0882600000e-01 -1.7332230000e+00 -7.8711400000e-01 -3.8822500000e-01 -2.2548680000e+00 -1.2049070000e+00 -1.7466180000e+00
-ENERGY -1.526607057771e+02
-FORCES  2.8232000000e-03 -6.7070000000e-04 -2.0770000000e-03 -3.3072000000e-03  3.6299000000e-03  3.7530000000e-04 -6.2720000000e-04 -4.9048000000e-03  6.5810000000e-04  1.0338600000e-02  5.8656000000e-03  7.6320000000e-04 -8.5714000000e-03 -3.4445000000e-03 -1.9831000000e-03 -6.5590000000e-04 -4.7550000000e-04  2.2635000000e-03
-
-JOB 415
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7607100000e-01  5.4041800000e-01  1.4796900000e-01  7.3109000000e-01  5.4525400000e-01  2.9058100000e-01 -2.3483800000e+00  9.9867000000e-01  6.5123300000e-01 -3.0583190000e+00  4.2721700000e-01  3.5855600000e-01 -2.4891620000e+00  1.8182940000e+00  1.7728200000e-01
-ENERGY -1.526580627560e+02
-FORCES -1.5299800000e-02  6.7906000000e-03  6.3171000000e-03  9.3177000000e-03 -2.9900000000e-05 -5.0605000000e-03 -3.9824000000e-03  1.3500000000e-04 -5.7350000000e-04  3.1162000000e-03 -5.7177000000e-03 -3.4631000000e-03  3.2310000000e-03  4.4803000000e-03  1.1764000000e-03  3.6173000000e-03 -5.6583000000e-03  1.6037000000e-03
-
-JOB 416
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3266000000e-02 -8.4960100000e-01  4.3879200000e-01  5.9906000000e-02 -2.0811300000e-01 -9.3238000000e-01 -1.3971600000e-01 -6.8206800000e-01 -2.7644950000e+00 -8.7305700000e-01 -9.0056000000e-02 -2.9317190000e+00  6.3304600000e-01 -1.9239300000e-01 -3.0460800000e+00
-ENERGY -1.526606572406e+02
-FORCES -4.9950000000e-04 -7.3272000000e-03 -1.0444500000e-02 -3.7600000000e-05  2.5484000000e-03 -1.2595000000e-03  1.5070000000e-03  6.3763000000e-03  8.3173000000e-03 -1.4641000000e-03  3.2792000000e-03 -3.4967000000e-03  5.1132000000e-03 -2.7878000000e-03  2.3797000000e-03 -4.6191000000e-03 -2.0888000000e-03  4.5036000000e-03
-
-JOB 417
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3792400000e-01  1.4602200000e-01  9.1558800000e-01  5.1667000000e-02  8.6688800000e-01 -4.0257600000e-01 -1.9729140000e+00 -1.0149820000e+00 -1.1115320000e+00 -1.2166950000e+00 -6.1495300000e-01 -6.8218300000e-01 -1.6353290000e+00 -1.3257960000e+00 -1.9515700000e+00
-ENERGY -1.526535171495e+02
-FORCES -1.8765700000e-02 -9.0307000000e-03 -6.4398000000e-03 -2.9320000000e-04  1.4994000000e-03 -5.7731000000e-03 -1.7064000000e-03 -6.1028000000e-03  2.2743000000e-03  2.2521100000e-02  8.6732000000e-03  1.3905600000e-02 -2.9829000000e-03  2.4086000000e-03 -6.6242000000e-03  1.2270000000e-03  2.5523000000e-03  2.6573000000e-03
-
-JOB 418
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0090300000e-01  4.8236800000e-01  2.0520300000e-01 -1.2701600000e-01 -3.0493300000e-01 -8.9839600000e-01  1.9372800000e+00  1.6701550000e+00  1.0023200000e+00  1.3415600000e+00  2.3979670000e+00  1.1801950000e+00  1.3741140000e+00  9.7845700000e-01  6.5500300000e-01
-ENERGY -1.526593053527e+02
-FORCES  6.3340000000e-04  3.5763000000e-03 -1.5778000000e-03  4.8425000000e-03 -1.4692000000e-03 -1.4418000000e-03 -7.7250000000e-04  1.8322000000e-03  4.6990000000e-03 -1.1105300000e-02 -7.6502000000e-03 -5.5869000000e-03  7.0990000000e-04 -2.2702000000e-03 -5.2250000000e-04  5.6921000000e-03  5.9811000000e-03  4.4300000000e-03
-
-JOB 419
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1685500000e-01 -4.8214600000e-01  4.1217100000e-01  7.9369600000e-01 -3.9659300000e-01  3.5915500000e-01 -1.9487980000e+00 -1.8322080000e+00  8.3559100000e-01 -2.8510250000e+00 -1.5424740000e+00  7.0041100000e-01 -1.9023490000e+00 -2.6834770000e+00  4.0037200000e-01
-ENERGY -1.526608122134e+02
-FORCES -6.7533000000e-03 -9.5965000000e-03  5.6666000000e-03  5.3053000000e-03  8.0191000000e-03 -2.3804000000e-03 -2.2324000000e-03  5.7010000000e-04 -1.3774000000e-03  9.6900000000e-05 -1.2450000000e-03 -4.6542000000e-03  4.9847000000e-03 -1.4490000000e-03  7.0100000000e-05 -1.4012000000e-03  3.7012000000e-03  2.6753000000e-03
-
-JOB 420
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4559800000e-01 -4.0700500000e-01  1.8852800000e-01  6.4605900000e-01 -6.5132200000e-01  2.7316600000e-01  2.9863400000e-01  2.5951000000e+00  9.6478900000e-01  1.1045980000e+00  2.9079160000e+00  5.5393600000e-01  2.6341200000e-01  1.6639420000e+00  7.4584600000e-01
-ENERGY -1.526609694269e+02
-FORCES -1.9222000000e-03 -1.1457000000e-03  1.7711000000e-03  5.1418000000e-03  1.3465000000e-03 -5.7760000000e-04 -3.4549000000e-03  3.9828000000e-03 -9.9460000000e-04  3.3260000000e-04 -1.1548800000e-02 -6.5797000000e-03 -1.8779000000e-03 -1.6674000000e-03  1.2761000000e-03  1.7806000000e-03  9.0326000000e-03  5.1047000000e-03
-
-JOB 421
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6742900000e-01 -5.1335700000e-01 -4.5523100000e-01  1.7112500000e-01 -1.5394800000e-01  9.2911100000e-01  2.8888460000e+00  2.8605740000e+00  2.1303090000e+00  2.9281280000e+00  2.8881850000e+00  1.1743140000e+00  2.9801100000e+00  3.7742330000e+00  2.4007370000e+00
-ENERGY -1.526550482319e+02
-FORCES  3.3003000000e-03 -2.7919000000e-03  2.6527000000e-03 -2.5925000000e-03  2.2951000000e-03  1.6028000000e-03 -1.0112000000e-03  1.7960000000e-04 -4.2674000000e-03  1.5640000000e-04  4.2119000000e-03 -3.0227000000e-03  4.0000000000e-04 -2.0170000000e-04  4.1177000000e-03 -2.5300000000e-04 -3.6930000000e-03 -1.0832000000e-03
-
-JOB 422
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0266000000e-01  5.7239000000e-02 -7.4145600000e-01 -2.3834800000e-01  7.3838100000e-01  5.6054900000e-01  2.1533000000e+00  1.3649110000e+00 -1.2499740000e+00  1.4845980000e+00  8.5648600000e-01 -7.9109000000e-01  2.9722710000e+00  1.1364070000e+00 -8.1031100000e-01
-ENERGY -1.526612761309e+02
-FORCES -4.7236000000e-03  2.3773000000e-03 -7.4400000000e-04  4.4996000000e-03  7.6350000000e-04  4.0309000000e-03  3.0762000000e-03 -3.4541000000e-03 -4.2757000000e-03 -6.0899000000e-03 -8.2959000000e-03  6.4754000000e-03  6.2675000000e-03  8.0302000000e-03 -4.8881000000e-03 -3.0298000000e-03  5.7890000000e-04 -5.9850000000e-04
-
-JOB 423
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7902400000e-01  4.1178300000e-01 -6.4140300000e-01  2.3292300000e-01 -8.4145500000e-01 -3.9234200000e-01  2.2307080000e+00  1.3319890000e+00 -4.4209600000e-01  1.9725590000e+00  2.2233240000e+00 -2.0733800000e-01  1.4127770000e+00  8.3486800000e-01 -4.3256900000e-01
-ENERGY -1.526561292711e+02
-FORCES  4.6608000000e-03  1.2971000000e-03 -2.4276000000e-03  6.9674000000e-03 -5.9450000000e-04  3.1409000000e-03  5.7420000000e-04  7.3978000000e-03  1.0899000000e-03 -1.8143000000e-02 -8.2643000000e-03  6.6395000000e-03 -5.3830000000e-04 -2.5579000000e-03 -1.2139000000e-03  6.4788000000e-03  2.7218000000e-03 -7.2288000000e-03
-
-JOB 424
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9373000000e-02 -3.8300000000e-04 -9.5700400000e-01 -1.4068700000e-01 -9.1502400000e-01  2.4325100000e-01 -3.7624000000e-01 -2.7110930000e+00  6.5488700000e-01 -1.2040150000e+00 -3.1296690000e+00  4.1863700000e-01  2.9554600000e-01 -3.3329610000e+00  3.7521700000e-01
-ENERGY -1.526611556855e+02
-FORCES -1.7785000000e-03 -1.2185100000e-02  6.9630000000e-04 -1.8400000000e-05 -6.1560000000e-04  2.6504000000e-03  1.2929000000e-03  9.9876000000e-03 -2.6303000000e-03 -7.5100000000e-05 -1.4577000000e-03 -1.8408000000e-03  4.8792000000e-03  1.5572000000e-03  4.2110000000e-04 -4.3002000000e-03  2.7137000000e-03  7.0320000000e-04
-
-JOB 425
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3383700000e-01  2.9014300000e-01 -3.6981800000e-01  1.0243800000e-01 -8.9822900000e-01 -3.1452100000e-01  1.5361210000e+00  4.4792720000e+00 -2.1205500000e-01  1.4557240000e+00  4.2607720000e+00  7.1639800000e-01  6.3409900000e-01  4.5064050000e+00 -5.3119600000e-01
-ENERGY -1.526540137167e+02
-FORCES -2.5642000000e-03 -2.8231000000e-03 -3.1713000000e-03  3.3053000000e-03 -8.4000000000e-04  1.7055000000e-03 -5.7250000000e-04  3.6558000000e-03  1.3572000000e-03 -3.8722000000e-03 -1.8555000000e-03  2.6854000000e-03  3.0140000000e-04  1.6283000000e-03 -3.6768000000e-03  3.4022000000e-03  2.3460000000e-04  1.1000000000e-03
-
-JOB 426
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1344000000e-02  8.9020400000e-01 -3.4936900000e-01 -8.6547800000e-01 -3.6810000000e-01 -1.7799500000e-01 -2.4525460000e+00 -1.7160610000e+00 -2.0780700000e-01 -3.0625180000e+00 -1.3067620000e+00  4.0590400000e-01 -2.6499580000e+00 -1.3076550000e+00 -1.0506980000e+00
-ENERGY -1.526577587696e+02
-FORCES -6.2185000000e-03 -3.1482000000e-03 -8.0330000000e-04 -1.4403000000e-03 -3.8566000000e-03  8.9280000000e-04  5.8181000000e-03  8.3548000000e-03 -2.0544000000e-03 -6.2981000000e-03 -9.3610000000e-04 -3.7400000000e-05  4.0477000000e-03 -1.0279000000e-03 -3.8661000000e-03  4.0911000000e-03  6.1390000000e-04  5.8685000000e-03
-
-JOB 427
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6977000000e-02 -8.1849200000e-01  4.9028300000e-01  3.2617200000e-01 -2.1248100000e-01 -8.7446900000e-01 -1.9045220000e+00  1.5606900000e+00  9.5936400000e-01 -1.1689440000e+00  1.1082190000e+00  5.4653500000e-01 -1.8297120000e+00  2.4658140000e+00  6.5706200000e-01
-ENERGY -1.526596804523e+02
-FORCES -7.1686000000e-03  2.6043000000e-03  2.3784000000e-03  4.8770000000e-04  3.5265000000e-03 -4.0527000000e-03 -8.2860000000e-04 -2.3400000000e-04  4.7765000000e-03  1.2185700000e-02 -7.9137000000e-03 -6.8005000000e-03 -5.7174000000e-03  5.2244000000e-03  4.2119000000e-03  1.0411000000e-03 -3.2074000000e-03 -5.1370000000e-04
-
-JOB 428
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2862900000e-01 -2.5051300000e-01 -4.0847200000e-01  1.1901000000e-01 -2.0242700000e-01  9.2795000000e-01 -6.3008800000e-01  2.4994010000e+00 -1.0537360000e+00 -1.1662410000e+00  3.1281010000e+00 -5.7050900000e-01 -4.5875100000e-01  1.7975280000e+00 -4.2584300000e-01
-ENERGY -1.526604099167e+02
-FORCES  3.7480000000e-03 -1.1925000000e-03 -1.4300000000e-03 -4.1210000000e-03  8.8110000000e-04  3.3257000000e-03 -5.5300000000e-04  2.2415000000e-03 -4.7507000000e-03  7.0970000000e-04 -9.3062000000e-03  5.4099000000e-03  1.8839000000e-03 -3.3029000000e-03 -1.4630000000e-04 -1.6676000000e-03  1.0679100000e-02 -2.4086000000e-03
-
-JOB 429
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3771300000e-01  4.3584600000e-01  5.6532500000e-01 -7.8406000000e-01  5.4609700000e-01  5.7092000000e-02 -2.2734300000e+00  1.5260230000e+00  2.1515200000e-01 -3.0541670000e+00  1.1642000000e+00 -2.0409200000e-01 -2.3713850000e+00  2.4741310000e+00  1.2724600000e-01
-ENERGY -1.526608336947e+02
-FORCES -1.0040700000e-02  9.1486000000e-03  3.0116000000e-03 -2.0250000000e-03 -3.7770000000e-04 -1.6676000000e-03  7.1102000000e-03 -6.3212000000e-03 -1.1511000000e-03  1.7871000000e-03 -6.6540000000e-04 -2.5297000000e-03  3.9114000000e-03  2.9529000000e-03  1.8996000000e-03 -7.4290000000e-04 -4.7372000000e-03  4.3710000000e-04
-
-JOB 430
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6856700000e-01  4.2065600000e-01 -3.8546900000e-01 -6.7133000000e-02 -8.3980200000e-01 -4.5437600000e-01  1.4067300000e-01  2.7307700000e-01  2.9569310000e+00  2.0896600000e-01  1.7781800000e-01  2.0069350000e+00 -6.5004200000e-01 -2.1311100000e-01  3.1906470000e+00
-ENERGY -1.526612211782e+02
-FORCES  2.0371000000e-03 -1.9550000000e-03 -4.4728000000e-03 -3.6948000000e-03 -2.7732000000e-03  2.6723000000e-03  4.9330000000e-04  4.3326000000e-03  1.7935000000e-03 -3.8245000000e-03 -2.4293000000e-03 -9.2851000000e-03  2.5520000000e-03  1.7714000000e-03  9.5468000000e-03  2.4369000000e-03  1.0535000000e-03 -2.5470000000e-04
-
-JOB 431
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7433900000e-01  5.3132800000e-01  4.2330800000e-01  8.1443600000e-01  2.5680400000e-01  4.3241000000e-01  2.5333040000e+00  3.5642920000e+00  5.4437000000e-02  3.2823030000e+00  3.8001970000e+00  6.0177700000e-01  2.7849430000e+00  3.8380320000e+00 -8.2759300000e-01
-ENERGY -1.526555654002e+02
-FORCES  1.2353000000e-03  4.5095000000e-03  3.3400000000e-03  2.1330000000e-03 -2.5994000000e-03 -1.5785000000e-03 -3.5885000000e-03 -2.4766000000e-03 -1.3815000000e-03  4.2205000000e-03  2.7147000000e-03 -2.1058000000e-03 -3.1888000000e-03 -1.2236000000e-03 -2.1650000000e-03 -8.1160000000e-04 -9.2460000000e-04  3.8907000000e-03
-
-JOB 432
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7365000000e-02  1.4171100000e-01 -9.4546600000e-01 -8.4482000000e-01  3.0489100000e-01  3.3098700000e-01 -7.3330400000e-01  5.6168700000e-01 -2.5765820000e+00 -5.3452200000e-01 -2.8757400000e-01 -2.9708820000e+00 -1.6125490000e+00  7.7231100000e-01 -2.8909050000e+00
-ENERGY -1.526578907183e+02
-FORCES -7.7076000000e-03  6.2012000000e-03 -1.2953700000e-02  5.3112000000e-03 -6.0274000000e-03  3.5032000000e-03  1.9085000000e-03 -1.0802000000e-03  4.1250000000e-04 -3.2039000000e-03 -1.8909000000e-03  3.5882000000e-03 -6.1100000000e-04  4.6010000000e-03  4.8005000000e-03  4.3028000000e-03 -1.8036000000e-03  6.4920000000e-04
-
-JOB 433
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8781000000e-02 -7.3153000000e-02 -9.5361200000e-01  7.6556800000e-01 -5.1759700000e-01  2.4946200000e-01 -2.6376820000e+00 -1.8056400000e+00  3.8122500000e-01 -2.6258230000e+00 -1.8205010000e+00  1.3382370000e+00 -2.0411390000e+00 -1.0953700000e+00  1.4482800000e-01
-ENERGY -1.526595555601e+02
-FORCES  6.3839000000e-03 -2.0927000000e-03 -2.6434000000e-03 -1.4527000000e-03 -4.2160000000e-04  5.2334000000e-03 -3.2806000000e-03  2.8036000000e-03 -1.3278000000e-03  5.5234000000e-03  5.2765000000e-03  3.4822000000e-03 -4.8930000000e-04 -7.5220000000e-04 -3.0270000000e-03 -6.6847000000e-03 -4.8134000000e-03 -1.7174000000e-03
-
-JOB 434
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8330000000e-02 -5.1158000000e-02  9.5460900000e-01  1.8207100000e-01 -8.9719600000e-01 -2.7950200000e-01 -2.3067060000e+00  6.5046800000e-01 -1.1741580000e+00 -1.4939710000e+00  3.0758500000e-01 -8.0250600000e-01 -2.1530590000e+00  6.6061200000e-01 -2.1188910000e+00
-ENERGY -1.526588605151e+02
-FORCES -5.1764000000e-03  3.5490000000e-04  1.2946000000e-03  5.6910000000e-04 -8.6450000000e-04 -5.5552000000e-03 -3.5845000000e-03  5.6720000000e-03  5.2270000000e-04  1.6016400000e-02 -2.4627000000e-03  6.3647000000e-03 -8.9205000000e-03 -1.4938000000e-03 -5.7091000000e-03  1.0959000000e-03 -1.2059000000e-03  3.0824000000e-03
-
-JOB 435
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0685600000e-01 -2.2197900000e-01  4.6469400000e-01 -3.7986000000e-02  9.5052700000e-01 -1.0623800000e-01  2.6209110000e+00 -5.8243600000e-01  4.2972500000e-01  2.5394860000e+00 -8.6217900000e-01  1.3415070000e+00  1.7405400000e+00 -2.9543500000e-01  1.8721800000e-01
-ENERGY -1.526587911345e+02
-FORCES  2.3358000000e-03 -1.4828000000e-03  3.3502000000e-03  3.2445000000e-03  2.7408000000e-03 -2.4206000000e-03  1.5254000000e-03 -5.7900000000e-03  1.4476000000e-03 -1.5727700000e-02  8.3560000000e-04  7.1990000000e-04  4.7850000000e-04  5.4830000000e-04 -2.0537000000e-03  8.1435000000e-03  3.1481000000e-03 -1.0434000000e-03
-
-JOB 436
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6459400000e-01  1.8287100000e-01 -9.2504000000e-01 -4.7224800000e-01 -8.1478600000e-01  1.7128400000e-01 -8.2869100000e-01  7.1988400000e-01 -2.6682110000e+00 -9.0988000000e-01 -1.6988700000e-01 -3.0116470000e+00  9.7580000000e-03  1.0326710000e+00 -3.0079140000e+00
-ENERGY -1.526589369623e+02
-FORCES -6.2534000000e-03  1.7873000000e-03 -9.6386000000e-03  6.2388000000e-03 -4.8330000000e-03  7.4708000000e-03  1.4883000000e-03  2.2808000000e-03 -1.5774000000e-03  1.2775000000e-03 -4.2100000000e-04 -4.9094000000e-03  1.5022000000e-03  4.2163000000e-03  4.7005000000e-03 -4.2533000000e-03 -3.0304000000e-03  3.9541000000e-03
-
-JOB 437
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1845000000e-01 -6.0508100000e-01 -1.8422700000e-01 -1.5626700000e-01  2.9172800000e-01  8.9816900000e-01  3.5274700000e-01 -1.4376700000e-01  2.9826130000e+00 -6.0165500000e-01 -1.8364000000e-01  2.9213150000e+00  6.2936100000e-01 -1.0594090000e+00  3.0189070000e+00
-ENERGY -1.526550673474e+02
-FORCES -3.4110000000e-04 -4.7390000000e-04  7.1328000000e-03  2.7317000000e-03  1.9441000000e-03  2.1385000000e-03 -5.2816000000e-03 -7.3910000000e-04 -5.9482000000e-03 -7.5000000000e-06 -6.6409000000e-03  5.7340000000e-04  5.0598000000e-03  1.5667000000e-03 -4.7500000000e-03 -2.1612000000e-03  4.3431000000e-03  8.5350000000e-04
-
-JOB 438
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2929600000e-01  8.3825300000e-01  1.7108000000e-01  7.6431200000e-01 -2.2000000000e-04  5.7624500000e-01  2.4965990000e+00 -3.3513400000e-01  1.0090840000e+00  2.7787680000e+00 -5.9343200000e-01  1.8865210000e+00  2.3382430000e+00 -1.1625560000e+00  5.5463100000e-01
-ENERGY -1.526598312317e+02
-FORCES  1.1234900000e-02  2.8230000000e-03  6.2474000000e-03  2.1391000000e-03 -2.2759000000e-03  5.8020000000e-04 -8.2339000000e-03 -3.9629000000e-03 -5.1281000000e-03 -1.0284000000e-03 -3.8164000000e-03 -1.1976000000e-03 -2.0435000000e-03  9.6690000000e-04 -4.7389000000e-03 -2.0682000000e-03  6.2652000000e-03  4.2369000000e-03
-
-JOB 439
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6828000000e-02  2.5418300000e-01 -9.2041100000e-01 -6.6391800000e-01  5.2790900000e-01  4.4357300000e-01 -2.5617620000e+00  1.5990170000e+00  2.3334400000e-01 -2.5273650000e+00  1.5589220000e+00  1.1890850000e+00 -3.0301940000e+00  8.0475600000e-01 -2.3471000000e-02
-ENERGY -1.526577651236e+02
-FORCES -6.8849000000e-03  7.9396000000e-03 -3.2624000000e-03  1.2052000000e-03 -2.5519000000e-03  2.2778000000e-03  3.9572000000e-03 -5.1860000000e-03  3.5071000000e-03 -4.9719000000e-03 -2.6949000000e-03  1.7997000000e-03  3.1452000000e-03 -1.5073000000e-03 -5.6969000000e-03  3.5492000000e-03  4.0004000000e-03  1.3746000000e-03
-
-JOB 440
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0468600000e-01  1.6140400000e-01  4.9260600000e-01 -7.0271700000e-01  2.5289200000e-01  5.9872000000e-01 -1.8473500000e-01 -2.6579850000e+00  1.0244670000e+00  6.9546200000e-01 -2.9977410000e+00  8.6306500000e-01 -1.4935200000e-01 -1.7488760000e+00  7.2697700000e-01
-ENERGY -1.526583353732e+02
-FORCES  2.4070000000e-04  3.9804000000e-03  3.1045000000e-03 -4.9297000000e-03 -4.2378000000e-03 -2.1135000000e-03  4.8422000000e-03 -5.1078000000e-03 -2.7130000000e-03  3.2209000000e-03  9.5650000000e-03 -7.7598000000e-03 -2.2863000000e-03  1.8759000000e-03  9.2860000000e-04 -1.0879000000e-03 -6.0758000000e-03  8.5533000000e-03
-
-JOB 441
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2042000000e-02 -8.6649700000e-01 -4.0195200000e-01  5.9188900000e-01  4.8821600000e-01 -5.7231600000e-01 -2.4719480000e+00  1.1004170000e+00 -6.8196900000e-01 -1.5482750000e+00  8.8856600000e-01 -5.4713500000e-01 -2.4792430000e+00  2.0414110000e+00 -8.5720900000e-01
-ENERGY -1.526592438534e+02
-FORCES  8.0490000000e-04 -3.8975000000e-03 -2.4251000000e-03  5.0430000000e-04  5.5579000000e-03  1.6085000000e-03 -6.5767000000e-03 -1.0309000000e-03  2.1985000000e-03  1.0786700000e-02 -2.9685000000e-03  4.5760000000e-03 -7.7041000000e-03  5.6422000000e-03 -6.5680000000e-03  2.1849000000e-03 -3.3033000000e-03  6.1010000000e-04
-
-JOB 442
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2804000000e-02 -3.7637800000e-01  8.8000400000e-01  7.5960000000e-01 -4.0167100000e-01 -4.2178200000e-01 -3.4817500000e-01 -8.7384700000e-01  2.6053320000e+00 -1.2697730000e+00 -1.1284780000e+00  2.6506500000e+00 -3.3429200000e-01  3.2689000000e-02  2.9123010000e+00
-ENERGY -1.526613003127e+02
-FORCES  6.4320000000e-04 -6.9108000000e-03  1.1407600000e-02  7.5980000000e-04  6.7793000000e-03 -9.1550000000e-03 -2.1748000000e-03  6.7220000000e-04  2.3491000000e-03 -4.2921000000e-03  2.5586000000e-03  5.9500000000e-05  5.0711000000e-03  2.0877000000e-03 -4.1120000000e-04 -7.1000000000e-06 -5.1870000000e-03 -4.2500000000e-03
-
-JOB 443
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2402300000e-01 -9.1128800000e-01  2.6533900000e-01  4.5054100000e-01  4.0633200000e-01  7.4036400000e-01 -2.2414470000e+00  1.4727880000e+00  6.3336200000e-01 -1.5768800000e+00  9.0551500000e-01  2.4248400000e-01 -2.0034300000e+00  1.5185130000e+00  1.5593690000e+00
-ENERGY -1.526582985565e+02
-FORCES -9.0200000000e-05  1.8600000000e-05  4.4083000000e-03 -1.7800000000e-04  5.8758000000e-03 -4.1670000000e-04 -5.0565000000e-03 -2.0311000000e-03 -2.9792000000e-03  1.2296100000e-02 -8.4891000000e-03 -2.5623000000e-03 -7.5817000000e-03  5.0686000000e-03  4.1314000000e-03  6.1020000000e-04 -4.4290000000e-04 -2.5815000000e-03
-
-JOB 444
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3846600000e-01 -9.0671100000e-01 -1.9298000000e-01  5.6859300000e-01  2.5820900000e-01 -7.2543900000e-01 -5.2808300000e-01 -2.6292590000e+00 -5.8592800000e-01 -4.7816400000e-01 -2.9685480000e+00 -1.4795850000e+00 -1.3934770000e+00 -2.8961100000e+00 -2.7590300000e-01
-ENERGY -1.526602105440e+02
-FORCES -5.7880000000e-04 -1.4039200000e-02 -5.1854000000e-03 -1.7430000000e-04  9.4348000000e-03  3.1298000000e-03 -1.6585000000e-03 -1.1679000000e-03  1.4336000000e-03 -1.4623000000e-03  2.3616000000e-03 -1.6534000000e-03 -8.3500000000e-04  1.4528000000e-03  4.6526000000e-03  4.7089000000e-03  1.9578000000e-03 -2.3772000000e-03
-
-JOB 445
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8409500000e-01 -3.5585600000e-01  8.9299000000e-02  2.3503400000e-01  2.8333400000e-01  8.8358000000e-01  1.9115090000e+00 -1.3096630000e+00 -1.4167280000e+00  1.4118650000e+00 -6.7050100000e-01 -9.0873100000e-01  1.5754580000e+00 -2.1590760000e+00 -1.1307210000e+00
-ENERGY -1.526586993105e+02
-FORCES  5.8770000000e-04 -4.5744000000e-03 -1.9033000000e-03  4.3117000000e-03  1.9920000000e-03  1.3999000000e-03 -9.1420000000e-04 -2.5104000000e-03 -4.8939000000e-03 -1.2776700000e-02  4.9508000000e-03  8.8339000000e-03  7.7768000000e-03 -1.2117000000e-03 -2.3169000000e-03  1.0147000000e-03  1.3538000000e-03 -1.1198000000e-03
-
-JOB 446
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1244300000e-01 -4.2234300000e-01  2.7891800000e-01  5.9274000000e-02  8.8899100000e-01  3.4987700000e-01 -2.3233800000e+00 -1.2320590000e+00  7.5853100000e-01 -2.1784620000e+00 -1.3204930000e+00  1.7005560000e+00 -1.5733080000e+00 -7.2563500000e-01  4.4683100000e-01
-ENERGY -1.526598865431e+02
-FORCES -1.2380000000e-04 -2.1738000000e-03  2.9904000000e-03 -3.8720000000e-03  3.4856000000e-03 -6.3030000000e-04 -6.8160000000e-04 -5.6812000000e-03 -6.5900000000e-04  1.3609400000e-02  6.2906000000e-03 -2.2954000000e-03  2.8950000000e-04  5.4490000000e-04 -2.5283000000e-03 -9.2215000000e-03 -2.4660000000e-03  3.1226000000e-03
-
-JOB 447
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9252200000e-01 -2.5121800000e-01  4.7437300000e-01 -6.9099800000e-01 -5.3931100000e-01  3.8457300000e-01 -1.4274000000e-01  1.4642800000e-01 -2.9758310000e+00  5.7820800000e-01  7.7530200000e-01 -3.0072150000e+00 -3.2546000000e-01  3.7191000000e-02 -2.0426040000e+00
-ENERGY -1.526605322178e+02
-FORCES  2.3067000000e-03 -3.1523000000e-03  3.5527000000e-03 -4.1674000000e-03  1.2322000000e-03 -1.2351000000e-03  3.5969000000e-03  2.3680000000e-03 -2.8078000000e-03  3.0215000000e-03  2.2109000000e-03  9.9823000000e-03 -1.6592000000e-03 -1.9277000000e-03 -9.8670000000e-04 -3.0986000000e-03 -7.3120000000e-04 -8.5054000000e-03
-
-JOB 448
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7564300000e-01  5.0757700000e-01 -2.3869500000e-01  7.2470100000e-01  6.2122900000e-01 -7.1522000000e-02 -1.5077500000e+00  1.3332650000e+00 -3.1255940000e+00 -8.1412800000e-01  8.1647700000e-01 -3.5355350000e+00 -1.3584700000e+00  2.2257410000e+00 -3.4377370000e+00
-ENERGY -1.526566532939e+02
-FORCES -1.6021000000e-03  5.2155000000e-03 -2.1935000000e-03  4.0147000000e-03 -2.6166000000e-03  3.2995000000e-03 -2.2518000000e-03 -2.5854000000e-03  2.6450000000e-04  3.1649000000e-03  7.8020000000e-04 -4.7007000000e-03 -2.9982000000e-03  2.9831000000e-03  1.5438000000e-03 -3.2750000000e-04 -3.7767000000e-03  1.7865000000e-03
-
-JOB 449
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9570100000e-01 -2.9577700000e-01  8.6099300000e-01  7.9896800000e-01  2.8554700000e-01 -4.4310900000e-01  3.2494800000e-01 -8.5403900000e-01  2.5133890000e+00 -4.5750100000e-01 -6.6059100000e-01  3.0297050000e+00  1.0301910000e+00 -3.8823400000e-01  2.9627100000e+00
-ENERGY -1.526593596685e+02
-FORCES  2.7937000000e-03 -5.8961000000e-03  1.4276900000e-02  1.2408000000e-03  5.0458000000e-03 -9.7865000000e-03 -1.3056000000e-03 -1.1877000000e-03  3.7924000000e-03 -4.0404000000e-03  4.4130000000e-03 -2.7425000000e-03  5.1919000000e-03 -8.4500000000e-04 -1.4693000000e-03 -3.8804000000e-03 -1.5301000000e-03 -4.0710000000e-03
-
-JOB 450
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6733300000e-01  7.2651800000e-01  5.0345800000e-01 -8.3307500000e-01  3.3491000000e-01 -3.3174200000e-01 -2.1042680000e+00  1.1914330000e+00 -1.1345150000e+00 -2.3624850000e+00  8.9988000000e-01 -2.0089020000e+00 -1.8145430000e+00  2.0952380000e+00 -1.2587200000e+00
-ENERGY -1.526588326387e+02
-FORCES -1.4191900000e-02  8.7154000000e-03 -5.9705000000e-03 -1.7560000000e-03 -8.2510000000e-04 -2.3078000000e-03  7.9116000000e-03 -3.5786000000e-03  4.2043000000e-03  7.5273000000e-03 -1.8218000000e-03 -1.1160000000e-03  1.4986000000e-03  2.5727000000e-03  4.3768000000e-03 -9.8960000000e-04 -5.0625000000e-03  8.1310000000e-04
-
-JOB 451
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1390500000e-01 -9.6820000000e-03 -9.5034900000e-01 -8.8093900000e-01 -3.4737700000e-01  1.3967000000e-01  1.8707700000e+00 -1.5261360000e+00  1.6221820000e+00  1.5793220000e+00 -7.2624100000e-01  1.1846220000e+00  2.8071310000e+00 -1.5771640000e+00  1.4302030000e+00
-ENERGY -1.526597909866e+02
-FORCES -3.5417000000e-03 -4.5081000000e-03 -1.9642000000e-03 -4.8600000000e-04  8.9800000000e-05  4.1782000000e-03  3.3221000000e-03  2.4041000000e-03 -1.9378000000e-03 -2.7781000000e-03  5.5088000000e-03 -4.9506000000e-03  7.0732000000e-03 -4.2562000000e-03  5.1954000000e-03 -3.5897000000e-03  7.6160000000e-04 -5.2100000000e-04
-
-JOB 452
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3156000000e-01 -3.1142300000e-01  5.3297900000e-01  1.9220900000e-01  9.2490500000e-01 -1.5439900000e-01 -3.6838700000e-01 -1.4736360000e+00 -2.4100790000e+00  4.6744300000e-01 -1.0701750000e+00 -2.6442550000e+00 -4.5395000000e-01 -1.3196560000e+00 -1.4692280000e+00
-ENERGY -1.526587967672e+02
-FORCES  2.0606000000e-03  3.2445000000e-03 -1.5600000000e-03 -3.2937000000e-03  1.1584000000e-03 -3.9794000000e-03  4.1730000000e-04 -4.5093000000e-03  1.4569000000e-03  3.6831000000e-03  7.7730000000e-03  9.8970000000e-03 -1.7332000000e-03 -1.3711000000e-03 -8.8020000000e-04 -1.1343000000e-03 -6.2955000000e-03 -4.9343000000e-03
-
-JOB 453
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7949800000e-01  3.6211700000e-01 -1.0763800000e-01 -8.1125000000e-02 -6.1461700000e-01  7.2931200000e-01  1.2516000000e-02 -1.8087460000e+00  1.9674940000e+00 -7.0176000000e-02 -1.9690110000e+00  2.9075520000e+00 -6.2593500000e-01 -2.3984590000e+00  1.5664330000e+00
-ENERGY -1.526579417840e+02
-FORCES -2.7960000000e-04 -7.0621000000e-03  1.2464300000e-02  2.1130000000e-03 -2.5830000000e-03  1.3710000000e-03 -3.4930000000e-03  7.4480000000e-04 -9.0625000000e-03 -4.7140000000e-04  3.9082000000e-03 -1.2561000000e-03 -5.5450000000e-04 -1.2963000000e-03 -5.0758000000e-03  2.6855000000e-03  6.2884000000e-03  1.5592000000e-03
-
-JOB 454
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6408000000e-01 -4.3157100000e-01  5.3756500000e-01  8.3205700000e-01 -2.4029000000e-01  4.0764300000e-01 -3.1174900000e-01 -4.6836400000e-01 -2.6074780000e+00 -3.9017700000e-01 -3.6578200000e-01 -1.6590270000e+00 -1.1582080000e+00 -1.8204400000e-01 -2.9506400000e+00
-ENERGY -1.526589382871e+02
-FORCES  3.3857000000e-03 -3.0177000000e-03 -4.3510000000e-03  3.2437000000e-03  1.6856000000e-03 -4.9293000000e-03 -5.2597000000e-03  1.0495000000e-03 -3.3440000000e-04  1.6052000000e-03  4.2869000000e-03  1.4951200000e-02 -4.9301000000e-03 -3.2479000000e-03 -8.7085000000e-03  1.9552000000e-03 -7.5630000000e-04  3.3721000000e-03
-
-JOB 455
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3596600000e-01  1.8897500000e-01 -6.6989000000e-02  2.3185700000e-01  2.4984100000e-01  8.9445700000e-01 -2.5113480000e+00  5.5946000000e-01 -1.2110300000e-01 -2.6855010000e+00  5.9693500000e-01  8.1937500000e-01 -3.2680270000e+00  1.0161900000e-01 -4.8723200000e-01
-ENERGY -1.526553736250e+02
-FORCES -2.0495100000e-02  4.7754000000e-03 -2.1102000000e-03  6.9894000000e-03 -2.0500000000e-04  5.7037000000e-03 -3.6089000000e-03 -2.9650000000e-04 -1.9512000000e-03  1.0445400000e-02 -5.9897000000e-03  2.2220000000e-04  3.6504000000e-03 -1.3922000000e-03 -5.4665000000e-03  3.0187000000e-03  3.1080000000e-03  3.6021000000e-03
-
-JOB 456
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1642900000e-01 -4.9581900000e-01  3.9638900000e-01 -6.4274600000e-01 -6.6426500000e-01 -2.4872000000e-01 -6.5155900000e-01  2.5070250000e+00  9.3734500000e-01 -1.5954610000e+00  2.6506280000e+00  1.0056150000e+00 -5.5954900000e-01  1.5594730000e+00  8.3779300000e-01
-ENERGY -1.526596286722e+02
-FORCES  4.7010000000e-04 -6.6650000000e-04  2.0260000000e-04 -4.4365000000e-03  2.1357000000e-03 -2.0462000000e-03  3.2680000000e-03  3.4156000000e-03  1.9530000000e-03  1.0348000000e-03 -1.1415700000e-02 -4.4632000000e-03  2.7083000000e-03 -1.8682000000e-03 -7.9200000000e-04 -3.0446000000e-03  8.3991000000e-03  5.1458000000e-03
-
-JOB 457
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3856400000e-01  5.9837700000e-01  1.1269400000e-01 -2.0369800000e-01 -4.8467300000e-01 -7.9989500000e-01 -2.8243740000e+00  1.6865370000e+00  2.2936180000e+00 -3.6378010000e+00  1.1840290000e+00  2.3389380000e+00 -3.0813590000e+00  2.5801590000e+00  2.5208440000e+00
-ENERGY -1.526560027195e+02
-FORCES -4.4815000000e-03  1.2340000000e-03 -1.5141000000e-03  4.2726000000e-03 -3.2690000000e-03 -2.6128000000e-03  7.2240000000e-04  1.7774000000e-03  3.0779000000e-03 -4.8222000000e-03  1.8302000000e-03  2.7162000000e-03  3.3956000000e-03  2.2985000000e-03 -5.7380000000e-04  9.1310000000e-04 -3.8710000000e-03 -1.0934000000e-03
-
-JOB 458
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0000000000e-05  9.5562400000e-01 -5.4913000000e-02 -4.4474000000e-02 -1.8649600000e-01  9.3780200000e-01 -7.2700600000e-01  1.3314800000e-01  2.6867870000e+00 -1.6174780000e+00  4.4791200000e-01  2.8423960000e+00 -6.2041300000e-01 -5.9670300000e-01  3.2968600000e+00
-ENERGY -1.526598322899e+02
-FORCES -2.9664000000e-03  3.8609000000e-03  1.3224400000e-02 -5.1430000000e-04 -2.3100000000e-03 -9.0570000000e-04  3.8076000000e-03 -3.0057000000e-03 -7.2130000000e-03 -4.0181000000e-03 -3.0290000000e-04 -1.8536000000e-03  4.5329000000e-03 -1.5368000000e-03  7.7860000000e-04 -8.4160000000e-04  3.2946000000e-03 -4.0307000000e-03
-
-JOB 459
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1250000000e-02  8.0124000000e-01  5.1567400000e-01  8.2577600000e-01 -4.6571800000e-01  1.3203000000e-01 -3.2433010000e+00 -1.1951610000e+00  3.2780500000e-01 -3.4864760000e+00 -1.9055480000e+00 -2.6586900000e-01 -2.2883450000e+00 -1.2392090000e+00  3.7629100000e-01
-ENERGY -1.526583593820e+02
-FORCES  5.2447000000e-03  3.7886000000e-03  2.1518000000e-03  2.6120000000e-04 -3.8715000000e-03 -2.2101000000e-03 -3.9975000000e-03  1.7660000000e-03 -4.7250000000e-04  4.9965000000e-03 -1.5287000000e-03 -2.8855000000e-03  8.4740000000e-04  2.3546000000e-03  2.2499000000e-03 -7.3523000000e-03 -2.5091000000e-03  1.1665000000e-03
-
-JOB 460
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1670600000e-01 -2.3877500000e-01  1.3736200000e-01  4.9635600000e-01 -6.9359300000e-01  4.3450200000e-01  8.7464300000e-01 -2.3977930000e+00  9.6471400000e-01  2.2183400000e-01 -2.8090400000e+00  3.9819100000e-01  1.6961840000e+00 -2.8351110000e+00  7.4098400000e-01
-ENERGY -1.526589306565e+02
-FORCES  3.7998000000e-03 -1.2372500000e-02  7.7796000000e-03  2.6610000000e-03 -7.7410000000e-04 -1.2105000000e-03 -4.0014000000e-03  6.9266000000e-03 -4.8192000000e-03 -7.9120000000e-04  4.9510000000e-04 -5.3017000000e-03  3.0441000000e-03  3.6925000000e-03  3.0656000000e-03 -4.7123000000e-03  2.0324000000e-03  4.8610000000e-04
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-JOB 461
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0760000000e-03  9.1765600000e-01  2.7223600000e-01 -4.4865500000e-01  2.9940000000e-03 -8.4553600000e-01  1.8069500000e-01  2.6201270000e+00  7.5023900000e-01 -2.4595100000e-01  3.3663000000e+00  3.2901400000e-01  2.2747200000e-01  2.8612710000e+00  1.6753840000e+00
-ENERGY -1.526602894844e+02
-FORCES  4.0900000000e-05  1.4042300000e-02  1.7922000000e-03 -7.8980000000e-04 -9.2448000000e-03 -1.9273000000e-03  1.0751000000e-03  1.0730000000e-03  2.2982000000e-03 -1.6755000000e-03 -2.5604000000e-03  1.0250000000e-04  2.0685000000e-03 -3.2487000000e-03  2.8887000000e-03 -7.1920000000e-04 -6.1400000000e-05 -5.1543000000e-03
-
-JOB 462
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9863500000e-01  1.3693300000e-01 -2.9989400000e-01  6.0759000000e-02 -7.3193300000e-01  6.1385200000e-01  2.2974830000e+00  6.1247600000e-01 -1.1661530000e+00  3.0138440000e+00  9.9606400000e-01 -6.6026900000e-01  2.7297050000e+00  1.6913400000e-01 -1.8961280000e+00
-ENERGY -1.526593397959e+02
-FORCES  1.3942300000e-02  2.2947000000e-03 -6.7114000000e-03 -7.0302000000e-03 -1.7821000000e-03  6.0908000000e-03  1.7694000000e-03  2.2335000000e-03 -2.2866000000e-03 -4.7651000000e-03 -2.6113000000e-03  1.4192000000e-03 -3.4969000000e-03 -3.1584000000e-03 -2.8127000000e-03 -4.1930000000e-04  3.0236000000e-03  4.3007000000e-03
-
-JOB 463
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6619200000e-01  4.0661800000e-01 -7.8536400000e-01 -9.4114100000e-01  1.6330700000e-01 -6.1779000000e-02  1.1567210000e+00 -1.6286910000e+00  1.9944090000e+00  8.9861700000e-01 -9.3490100000e-01  1.3875570000e+00  2.0373610000e+00 -1.8776200000e+00  1.7138040000e+00
-ENERGY -1.526605765112e+02
-FORCES -1.8609000000e-03 -7.4860000000e-04 -3.6340000000e-04 -2.3930000000e-03 -1.8777000000e-03  3.3201000000e-03  4.6421000000e-03  2.4180000000e-04 -1.2769000000e-03 -2.2654000000e-03  5.7406000000e-03 -8.8347000000e-03  4.4535000000e-03 -4.6192000000e-03  6.9690000000e-03 -2.5763000000e-03  1.2632000000e-03  1.8580000000e-04
-
-JOB 464
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8750600000e-01 -6.6299200000e-01  4.8888800000e-01  9.1964800000e-01 -2.0955600000e-01  1.6299000000e-01  2.1768400000e+00 -1.7392110000e+00  6.0588700000e-01  2.5590230000e+00 -1.2362690000e+00  1.3250660000e+00  2.1780230000e+00 -2.6439130000e+00  9.1852800000e-01
-ENERGY -1.526567479899e+02
-FORCES  7.0111000000e-03 -1.0933700000e-02  2.6592000000e-03 -7.3940000000e-04  2.7120000000e-03 -1.0072000000e-03 -1.1197000000e-03  7.2710000000e-03  1.4655000000e-03 -1.0375000000e-03 -2.7348000000e-03  2.1979000000e-03 -4.4524000000e-03 -7.8420000000e-04 -4.7405000000e-03  3.3800000000e-04  4.4697000000e-03 -5.7490000000e-04
-
-JOB 465
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9028000000e-02 -2.0152300000e-01  9.3446000000e-01 -9.3371500000e-01 -4.3444000000e-02 -2.0620700000e-01 -3.2219470000e+00  3.4661800000e-01 -5.4671900000e-01 -4.0050050000e+00 -7.3573000000e-02 -1.9106300000e-01 -3.4242100000e+00  4.8736100000e-01 -1.4716590000e+00
-ENERGY -1.526601329347e+02
-FORCES -6.7787000000e-03 -3.6400000000e-05  2.5080000000e-03  1.8880000000e-04  4.3040000000e-04 -2.9832000000e-03  8.9549000000e-03 -1.0240000000e-03  4.9450000000e-04 -6.2847000000e-03 -3.9450000000e-04 -2.5245000000e-03  3.1778000000e-03  2.0969000000e-03 -1.9272000000e-03  7.4180000000e-04 -1.0724000000e-03  4.4323000000e-03
-
-JOB 466
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1292900000e-01 -1.0747900000e-01 -7.2732300000e-01  8.6450100000e-01 -1.0599900000e-01 -3.9703100000e-01 -1.1297710000e+00 -6.3831000000e-02 -2.4120760000e+00 -1.0799050000e+00  7.3330400000e-01 -2.9396370000e+00 -2.0423030000e+00 -3.4339200000e-01 -2.4853130000e+00
-ENERGY -1.526584986538e+02
-FORCES -4.7337000000e-03 -1.1878000000e-03 -1.8059600000e-02 -5.4560000000e-04 -1.3869000000e-03  8.0514000000e-03 -1.3219000000e-03  1.0167000000e-03  1.5830000000e-03  2.4820000000e-03  3.9551000000e-03  4.7324000000e-03 -1.0476000000e-03 -4.8384000000e-03  1.6917000000e-03  5.1667000000e-03  2.4413000000e-03  2.0011000000e-03
-
-JOB 467
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3407500000e-01  9.2615000000e-01 -6.0722000000e-02  3.6393400000e-01 -2.1240200000e-01 -8.5945900000e-01 -2.1282200000e-01  2.5712710000e+00 -9.8181900000e-01 -9.2462400000e-01  2.5039970000e+00 -1.6182490000e+00  5.8068200000e-01  2.4054500000e+00 -1.4908250000e+00
-ENERGY -1.526576187841e+02
-FORCES -9.9210000000e-04  1.3965200000e-02 -6.4741000000e-03  4.7740000000e-04 -8.6624000000e-03  2.4214000000e-03 -4.4670000000e-04  1.0474000000e-03  1.6363000000e-03  1.4443000000e-03 -3.5970000000e-03 -3.8096000000e-03  4.4486000000e-03 -1.2968000000e-03  3.5636000000e-03 -4.9314000000e-03 -1.4565000000e-03  2.6623000000e-03
-
-JOB 468
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8330100000e-01  1.2992600000e-01  8.1594800000e-01 -5.1966300000e-01 -6.3910600000e-01 -4.8757100000e-01  2.6607090000e+00 -5.6875000000e-02 -6.5387300000e-01  2.6192940000e+00  8.5701500000e-01 -3.7223300000e-01  1.8238730000e+00 -4.3107100000e-01 -3.7834500000e-01
-ENERGY -1.526584811458e+02
-FORCES  4.4260000000e-04 -5.1990000000e-04  1.9120000000e-04  2.0237000000e-03 -4.2360000000e-04 -4.6569000000e-03  4.0529000000e-03  2.5325000000e-03  3.3895000000e-03 -1.4411100000e-02  4.2374000000e-03  4.9672000000e-03  2.4605000000e-03 -1.6059000000e-03 -6.0550000000e-04  5.4314000000e-03 -4.2205000000e-03 -3.2854000000e-03
-
-JOB 469
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2125900000e-01  6.2190000000e-03 -9.3125600000e-01 -7.8743900000e-01 -5.4133100000e-01  5.5969000000e-02 -1.4395790000e+00  6.0666300000e-01  3.7498610000e+00 -9.3346900000e-01 -2.0296800000e-01  3.8175450000e+00 -7.8275600000e-01  1.2896630000e+00  3.6144870000e+00
-ENERGY -1.526554526166e+02
-FORCES -2.9938000000e-03 -1.9798000000e-03 -3.7981000000e-03 -9.3300000000e-04 -2.6600000000e-05  3.8239000000e-03  3.8582000000e-03  1.7079000000e-03 -6.0510000000e-04  5.6405000000e-03 -3.1300000000e-05 -1.0789000000e-03 -2.5907000000e-03  2.8335000000e-03  4.3800000000e-05 -2.9811000000e-03 -2.5037000000e-03  1.6143000000e-03
-
-JOB 470
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2909700000e-01 -4.3309200000e-01 -2.0312800000e-01 -6.5983700000e-01 -6.8632800000e-01 -9.9001000000e-02 -1.7169740000e+00 -2.3945840000e+00 -1.5503400000e-01 -2.1531310000e+00 -1.9465820000e+00 -8.7980500000e-01 -2.4299790000e+00 -2.6671140000e+00  4.2253300000e-01
-ENERGY -1.526593611578e+02
-FORCES -1.8265000000e-03 -1.0232300000e-02  9.3800000000e-04 -2.2930000000e-03  1.9755000000e-03  3.4700000000e-04  1.6245000000e-03  8.3079000000e-03 -4.3960000000e-03 -5.2914000000e-03 -1.6116000000e-03  1.2611000000e-03  4.8641000000e-03  5.6380000000e-04  5.6090000000e-03  2.9223000000e-03  9.9670000000e-04 -3.7591000000e-03
-
-JOB 471
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2250000000e-03 -9.3252500000e-01 -2.1584700000e-01 -9.0310300000e-01  1.7981500000e-01  2.6134800000e-01  2.5276190000e+00  7.8124200000e-01  6.8273900000e-01  2.9058370000e+00  3.6585000000e-02  1.1503600000e+00  1.6574280000e+00  4.8214800000e-01  4.1903000000e-01
-ENERGY -1.526594953850e+02
-FORCES  1.1415000000e-03  1.5318000000e-03  2.6438000000e-03  5.7000000000e-04  4.9245000000e-03  2.3395000000e-03  3.5142000000e-03 -2.9475000000e-03 -2.2338000000e-03 -1.2521900000e-02 -4.2409000000e-03 -1.4847000000e-03 -2.0933000000e-03  1.2684000000e-03 -1.9301000000e-03  9.3894000000e-03 -5.3630000000e-04  6.6530000000e-04
-
-JOB 472
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7071700000e-01 -1.8048400000e-01 -9.2439900000e-01 -3.7128300000e-01  8.6988700000e-01  1.4723100000e-01 -3.9912900000e-01  2.7218710000e+00  9.5632600000e-01 -1.1997380000e+00  3.0245650000e+00  5.2780300000e-01  2.8286200000e-01  3.3115400000e+00  6.3475100000e-01
-ENERGY -1.526589979921e+02
-FORCES -1.6668000000e-03  8.3214000000e-03  1.4817000000e-03  2.5240000000e-04  2.1580000000e-03  3.2290000000e-03 -1.4618000000e-03 -9.0838000000e-03 -5.6560000000e-03  2.4296000000e-03  5.2832000000e-03 -7.6090000000e-04  4.7785000000e-03 -4.3161000000e-03  4.6380000000e-04 -4.3319000000e-03 -2.3626000000e-03  1.2424000000e-03
-
-JOB 473
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9495400000e-01 -5.8152000000e-02 -8.1723400000e-01 -5.7204700000e-01 -7.6738400000e-01 -1.0764000000e-02 -2.0760540000e+00 -1.5628960000e+00  8.8522200000e-01 -3.0097150000e+00 -1.4344210000e+00  7.1788100000e-01 -2.0011690000e+00 -2.4845520000e+00  1.1325590000e+00
-ENERGY -1.526592266790e+02
-FORCES -7.3216000000e-03 -6.1144000000e-03  1.7807000000e-03 -2.9663000000e-03 -1.2506000000e-03  2.7545000000e-03  8.5360000000e-03  3.5414000000e-03 -4.1493000000e-03 -2.3051000000e-03  1.0571000000e-03  5.2680000000e-04  4.2159000000e-03 -1.9322000000e-03  1.3197000000e-03 -1.5880000000e-04  4.6986000000e-03 -2.2324000000e-03
-
-JOB 474
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8554900000e-01  9.3709000000e-01  6.0543000000e-02 -8.3076900000e-01 -1.1051700000e-01  4.6243000000e-01  8.4190800000e-01 -1.8322340000e+00  3.7842080000e+00  2.6051400000e-01 -2.3841740000e+00  3.2611650000e+00  2.6171500000e-01 -1.1854500000e+00  4.1858020000e+00
-ENERGY -1.526532838970e+02
-FORCES -1.8762000000e-03  3.7027000000e-03  2.2644000000e-03 -1.0781000000e-03 -3.7898000000e-03 -3.9060000000e-04  3.1899000000e-03  4.6600000000e-05 -1.5707000000e-03 -4.2224000000e-03  2.6380000000e-04 -1.2926000000e-03  1.8592000000e-03  2.2491000000e-03  2.6921000000e-03  2.1275000000e-03 -2.4723000000e-03 -1.7025000000e-03
-
-JOB 475
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9848000000e-02 -4.3639700000e-01  8.4818300000e-01  8.7112500000e-01 -2.4278000000e-01 -3.1373800000e-01 -2.2872000000e-01  2.9794110000e+00  7.6324000000e-01  4.7675000000e-01  3.6108260000e+00  9.0416400000e-01  2.2005300000e-01  2.1461300000e+00  6.2014000000e-01
-ENERGY -1.526585417769e+02
-FORCES  6.6980000000e-04 -6.8472000000e-03  7.0920000000e-04  1.3539000000e-03  3.0711000000e-03 -4.1622000000e-03 -3.8852000000e-03  2.8656000000e-03  2.4161000000e-03  2.8920000000e-03 -4.8168000000e-03 -1.9895000000e-03 -2.0401000000e-03 -3.2892000000e-03 -7.8550000000e-04  1.0097000000e-03  9.0165000000e-03  3.8118000000e-03
-
-JOB 476
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4772900000e-01  5.0060000000e-01 -3.2639300000e-01  4.6784400000e-01  6.1104000000e-01  5.6919600000e-01  6.4059100000e-01 -1.5159810000e+00 -3.3623310000e+00  1.4787000000e-01 -2.1219350000e+00 -2.8089070000e+00  1.4436350000e+00 -1.9890450000e+00 -3.5804170000e+00
-ENERGY -1.526543702214e+02
-FORCES -5.7330000000e-04  5.2343000000e-03 -1.3990000000e-04  2.5891000000e-03 -2.2860000000e-03  2.0168000000e-03 -1.9220000000e-03 -2.5033000000e-03 -2.0781000000e-03  1.5416000000e-03 -4.0003000000e-03  3.3178000000e-03  1.4494000000e-03  1.7466000000e-03 -3.6311000000e-03 -3.0849000000e-03  1.8088000000e-03  5.1460000000e-04
-
-JOB 477
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2135900000e-01  8.5582000000e-01 -7.9126000000e-02  1.0983500000e-01 -1.2721500000e-01  9.4232900000e-01 -2.5206390000e+00 -1.7002400000e+00 -1.5518400000e-01 -2.8280230000e+00 -1.8454450000e+00  7.3961300000e-01 -1.6576220000e+00 -1.2996630000e+00 -5.0437000000e-02
-ENERGY -1.526594837955e+02
-FORCES  1.4315000000e-03  6.4956000000e-03  2.3352000000e-03  2.0375000000e-03 -4.9102000000e-03  1.1558000000e-03 -3.2024000000e-03 -9.9010000000e-04 -5.1546000000e-03  6.8025000000e-03  3.1621000000e-03  1.9367000000e-03  1.9843000000e-03  1.3063000000e-03 -2.7103000000e-03 -9.0535000000e-03 -5.0637000000e-03  2.4371000000e-03
-
-JOB 478
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2258900000e-01  5.4477400000e-01  7.1790600000e-01  2.4920200000e-01  4.7527700000e-01 -7.9261700000e-01  1.1962900000e+00  1.4866820000e+00 -2.1419270000e+00  8.2535700000e-01  1.1161920000e+00 -2.9427870000e+00  2.1278420000e+00  1.2712290000e+00 -2.1868840000e+00
-ENERGY -1.526609136771e+02
-FORCES  5.7082000000e-03  9.1935000000e-03 -6.4890000000e-03 -5.5050000000e-04 -2.0368000000e-03 -1.6238000000e-03 -5.5593000000e-03 -6.7994000000e-03  5.0408000000e-03  3.6676000000e-03 -2.3575000000e-03 -2.3302000000e-03  1.6020000000e-03  7.4670000000e-04  5.6460000000e-03 -4.8681000000e-03  1.2534000000e-03 -2.4380000000e-04
-
-JOB 479
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6682500000e-01 -4.8760000000e-03 -4.0598400000e-01 -1.7224400000e-01 -1.1168800000e-01  9.3492800000e-01 -2.1495560000e+00 -6.8863000000e-02 -1.3491690000e+00 -2.7395610000e+00  1.6272000000e-02 -6.0025100000e-01 -2.0775120000e+00 -1.0126230000e+00 -1.4918570000e+00
-ENERGY -1.526520637802e+02
-FORCES -2.0905400000e-02  1.4819000000e-03 -1.4245800000e-02  3.4737000000e-03 -4.8644000000e-03  9.1674000000e-03 -3.5730000000e-03  8.3900000000e-05 -4.3595000000e-03  1.0015900000e-02 -2.5581000000e-03  6.9093000000e-03  9.3200000000e-03 -9.3590000000e-04 -1.4326000000e-03  1.6688000000e-03  6.7927000000e-03  3.9611000000e-03
-
-JOB 480
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5375800000e-01  4.8783800000e-01  5.0084600000e-01 -2.5988700000e-01  1.1875400000e-01 -9.1355800000e-01 -2.6034500000e-01  3.6158160000e+00  3.6875000000e-02 -8.8490100000e-01  2.9055920000e+00  1.8433000000e-01 -6.3391200000e-01  4.3643430000e+00  5.0204900000e-01
-ENERGY -1.526519060727e+02
-FORCES -2.3785000000e-03  2.1471000000e-03 -2.0469000000e-03  1.8818000000e-03 -2.7890000000e-04 -2.6082000000e-03  4.6660000000e-04 -5.5710000000e-04  4.4337000000e-03 -3.5028000000e-03  7.6060000000e-04  2.7859000000e-03  1.8058000000e-03  1.3963000000e-03 -5.3300000000e-04  1.7271000000e-03 -3.4679000000e-03 -2.0316000000e-03
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-JOB 481
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0343000000e-01  5.1730700000e-01 -5.5902000000e-02 -2.8647000000e-01 -8.5397900000e-01  3.2386100000e-01 -1.9684560000e+00 -1.8810980000e+00  5.8695000000e-01 -2.4870520000e+00 -2.6465710000e+00  3.3928000000e-01 -2.5725280000e+00 -1.1436730000e+00  5.0016700000e-01
-ENERGY -1.526568229559e+02
-FORCES -9.0814000000e-03 -8.1428000000e-03  1.8800000000e-03  8.6490000000e-04 -1.1833000000e-03  4.1130000000e-04  4.3855000000e-03  5.7803000000e-03 -4.7760000000e-04 -1.7306000000e-03  1.4595000000e-03 -2.7453000000e-03  1.4431000000e-03  4.3658000000e-03  1.0541000000e-03  4.1186000000e-03 -2.2796000000e-03 -1.2250000000e-04
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-JOB 482
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5248300000e-01  2.4205100000e-01 -8.9100800000e-01 -1.8733200000e-01  7.7968800000e-01  5.2270900000e-01  3.0064100000e-01 -2.3979670000e+00  1.2210520000e+00 -5.8809600000e-01 -2.6101520000e+00  9.3582200000e-01  4.8989100000e-01 -1.5547500000e+00  8.0946700000e-01
-ENERGY -1.526592635467e+02
-FORCES -4.2790000000e-04 -3.3587000000e-03  1.8175000000e-03  5.1700000000e-05 -7.8000000000e-05  4.9740000000e-03  5.1720000000e-04 -3.4945000000e-03 -3.7127000000e-03 -4.7590000000e-03  1.2756100000e-02 -8.2691000000e-03  1.8180000000e-03 -9.9610000000e-04  1.0342000000e-03  2.8000000000e-03 -4.8287000000e-03  4.1562000000e-03
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-JOB 483
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1225900000e-01  8.4158200000e-01 -3.3236400000e-01 -4.2115600000e-01 -4.1415700000e-01 -7.5321500000e-01  9.5298100000e-01 -1.7796640000e+00  2.4142500000e+00  3.8272800000e-01 -2.3016430000e+00  1.8498190000e+00  9.8700100000e-01 -9.2094600000e-01  1.9927330000e+00
-ENERGY -1.526586383799e+02
-FORCES -1.1015000000e-03  1.5062000000e-03 -5.3471000000e-03 -1.2818000000e-03 -3.9474000000e-03  1.6129000000e-03  1.8120000000e-03  1.9428000000e-03  3.2626000000e-03 -3.9643000000e-03  3.9091000000e-03 -7.6866000000e-03  1.7608000000e-03 -5.1310000000e-04  2.6144000000e-03  2.7749000000e-03 -2.8976000000e-03  5.5439000000e-03
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-JOB 484
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5598300000e-01  9.2227400000e-01 -1.0711000000e-02  5.9857500000e-01 -4.2236800000e-01 -6.1607200000e-01  1.1821850000e+00  2.5891570000e+00 -5.1970200000e-01  2.0514980000e+00  2.4733760000e+00 -1.3613900000e-01  9.1146100000e-01  3.4639420000e+00 -2.4096800000e-01
-ENERGY -1.526607661414e+02
-FORCES  4.8513000000e-03  9.1888000000e-03 -4.9634000000e-03 -2.6487000000e-03 -8.6436000000e-03  3.5986000000e-03 -1.1839000000e-03  6.8230000000e-04  2.3881000000e-03  2.1067000000e-03  3.3471000000e-03  1.7031000000e-03 -5.1837000000e-03 -1.4320000000e-04 -1.7595000000e-03  2.0584000000e-03 -4.4314000000e-03 -9.6680000000e-04
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-JOB 485
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2474800000e-01 -3.3561700000e-01 -6.4287100000e-01  5.4123300000e-01  2.7294200000e-01  7.4081100000e-01  2.3283120000e+00 -9.8546700000e-01 -1.6612810000e+00  3.0542250000e+00 -6.0316900000e-01 -2.1543640000e+00  2.4079940000e+00 -1.9278740000e+00 -1.8087660000e+00
-ENERGY -1.526613051176e+02
-FORCES  8.6613000000e-03 -1.4500000000e-03 -2.6262000000e-03 -7.6135000000e-03  1.5377000000e-03  4.7523000000e-03 -2.1832000000e-03 -4.5970000000e-04 -1.6863000000e-03  3.5642000000e-03 -1.3507000000e-03 -2.9784000000e-03 -2.5189000000e-03 -2.9756000000e-03  2.1446000000e-03  9.0200000000e-05  4.6983000000e-03  3.9410000000e-04
-
-JOB 486
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7135000000e-02 -3.1505900000e-01 -9.0136700000e-01 -1.6301800000e-01  9.4117800000e-01 -6.1980000000e-02  1.4884760000e+00  4.0557740000e+00  7.7793600000e-01  1.6927730000e+00  4.9430910000e+00  4.8270100000e-01  8.7901600000e-01  3.7187240000e+00  1.2128700000e-01
-ENERGY -1.526526028567e+02
-FORCES -6.8800000000e-04  2.2408000000e-03 -3.5258000000e-03  2.5090000000e-04  1.4979000000e-03  3.7858000000e-03  5.8450000000e-04 -3.0788000000e-03 -4.2650000000e-04 -1.0993000000e-03  2.9661000000e-03 -3.8129000000e-03 -8.4740000000e-04 -3.8272000000e-03  1.2947000000e-03  1.7994000000e-03  2.0130000000e-04  2.6848000000e-03
-
-JOB 487
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2902100000e-01 -8.1920400000e-01  2.4713800000e-01  5.3791200000e-01  3.4749600000e-01 -7.1142700000e-01  1.5994100000e+00 -2.5919180000e+00  4.2110000000e-01  1.7018250000e+00 -2.5130460000e+00  1.3695310000e+00  7.6747400000e-01 -3.0513540000e+00  3.0693600000e-01
-ENERGY -1.526597537228e+02
-FORCES  7.9247000000e-03 -5.4523000000e-03 -2.1281000000e-03 -7.3656000000e-03  5.2283000000e-03  1.1968000000e-03 -2.3718000000e-03 -3.4920000000e-04  2.1695000000e-03 -9.2800000000e-05 -5.8106000000e-03  3.5036000000e-03 -1.8702000000e-03  1.0355000000e-03 -5.5868000000e-03  3.7757000000e-03  5.3482000000e-03  8.4510000000e-04
-
-JOB 488
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7630700000e-01 -2.5748200000e-01 -9.0490400000e-01  9.5431100000e-01 -1.6197000000e-02  7.2531000000e-02  5.5667000000e-01 -2.6609090000e+00  3.4413500000e-01  6.6073200000e-01 -2.6845080000e+00  1.2953690000e+00  2.2190200000e-01 -1.7830480000e+00  1.6104400000e-01
-ENERGY -1.526561510521e+02
-FORCES  5.0225000000e-03 -1.9258000000e-03 -3.1991000000e-03  1.4620000000e-03 -3.7380000000e-03  8.1245000000e-03 -6.7774000000e-03 -3.8809000000e-03  8.0310000000e-04 -6.2802000000e-03  1.4322200000e-02  3.4363000000e-03  7.1000000000e-04  4.9220000000e-04 -3.0233000000e-03  5.8631000000e-03 -5.2697000000e-03 -6.1415000000e-03
-
-JOB 489
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6137300000e-01 -7.8286400000e-01 -3.0081700000e-01 -6.9283900000e-01  6.4171400000e-01  1.5623600000e-01  8.0923800000e-01 -5.7449200000e-01  2.5731660000e+00  2.5222400000e-01  6.9590000000e-03  3.0907390000e+00  6.2979100000e-01 -3.3268500000e-01  1.6645620000e+00
-ENERGY -1.526596517372e+02
-FORCES -3.8015000000e-03 -2.2749000000e-03  1.9804000000e-03  2.0445000000e-03  4.8128000000e-03  2.1078000000e-03  3.9225000000e-03 -4.1272000000e-03  1.2015000000e-03 -4.4495000000e-03  4.8522000000e-03 -1.3224600000e-02  8.1120000000e-04 -1.2623000000e-03 -2.6964000000e-03  1.4728000000e-03 -2.0007000000e-03  1.0631300000e-02
-
-JOB 490
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4422600000e-01  6.2935700000e-01  3.2421400000e-01  8.2333400000e-01  4.8782500000e-01 -1.9490000000e-02 -5.7279600000e-01 -2.6065130000e+00  8.5899200000e-01 -3.2793100000e-01 -2.4502340000e+00  1.7710500000e+00 -5.8069700000e-01 -1.7363980000e+00  4.6015600000e-01
-ENERGY -1.526594820731e+02
-FORCES  3.0280000000e-03 -1.1330000000e-04  1.3044000000e-03  3.4741000000e-03 -4.2146000000e-03 -7.1950000000e-04 -4.7864000000e-03 -4.3820000000e-04  5.7870000000e-04  4.5816000000e-03  1.2011500000e-02 -1.4835000000e-03 -8.9980000000e-04 -7.6480000000e-04 -2.0790000000e-03 -5.3974000000e-03 -6.4807000000e-03  2.3989000000e-03
-
-JOB 491
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3099800000e-01 -2.5174300000e-01  4.0286500000e-01  1.4234200000e-01  8.9655600000e-01 -3.0357500000e-01 -2.3756570000e+00 -1.6104940000e+00  9.2537900000e-01 -2.0940840000e+00 -2.5223440000e+00  9.9940200000e-01 -1.5644380000e+00 -1.1183120000e+00  7.9923600000e-01
-ENERGY -1.526603257416e+02
-FORCES  3.0149000000e-03  4.6127000000e-03 -1.2371000000e-03 -4.5638000000e-03  7.4940000000e-04 -1.5668000000e-03  1.0378000000e-03 -4.2136000000e-03  1.3862000000e-03  7.0577000000e-03  2.1586000000e-03 -2.9496000000e-03 -2.7680000000e-04  3.1088000000e-03 -3.8100000000e-05 -6.2698000000e-03 -6.4159000000e-03  4.4054000000e-03
-
-JOB 492
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8660000000e-03 -5.4746800000e-01 -7.8515200000e-01 -9.7814000000e-02 -6.1802800000e-01  7.2436600000e-01 -6.6323000000e-02  2.5354450000e+00  1.2269290000e+00  2.7837000000e-02  1.7468570000e+00  6.9261200000e-01 -3.9371900000e-01  3.1990540000e+00  6.1975000000e-01
-ENERGY -1.526611804475e+02
-FORCES -5.4660000000e-04 -1.0132000000e-03  6.4060000000e-04 -4.0140000000e-04  9.8250000000e-04  4.3285000000e-03  6.7280000000e-04  2.4543000000e-03 -4.5282000000e-03 -6.3310000000e-04 -7.4184000000e-03 -7.5850000000e-03 -1.4300000000e-04  7.1970000000e-03  5.8718000000e-03  1.0513000000e-03 -2.2023000000e-03  1.2722000000e-03
-
-JOB 493
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3809700000e-01 -2.3962800000e-01  5.6037800000e-01 -1.0619600000e-01  9.4198200000e-01  1.3275500000e-01  3.7498790000e+00 -8.8161000000e-01 -1.6834480000e+00  3.3113490000e+00 -1.2334930000e+00 -2.4581110000e+00  4.6053230000e+00 -5.9357100000e-01 -2.0020100000e+00
-ENERGY -1.526552048335e+02
-FORCES  3.8383000000e-03  2.7225000000e-03  2.5567000000e-03 -4.1190000000e-03  1.0793000000e-03 -1.4971000000e-03  7.7600000000e-05 -3.6152000000e-03 -4.6240000000e-04  1.1910000000e-03 -4.1820000000e-04 -4.9977000000e-03  2.5119000000e-03  1.3061000000e-03  3.0440000000e-03 -3.4998000000e-03 -1.0745000000e-03  1.3565000000e-03
-
-JOB 494
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1616300000e-01 -3.7953200000e-01  5.0921300000e-01 -1.0824300000e-01  9.4563300000e-01  1.0145500000e-01 -4.7213600000e-01  2.5404230000e+00  6.7325700000e-01 -8.5393500000e-01  2.4893960000e+00  1.5495310000e+00 -1.1651620000e+00  2.9172630000e+00  1.3109500000e-01
-ENERGY -1.526581804602e+02
-FORCES -4.4683000000e-03  1.7240600000e-02  5.7507000000e-03  1.5490000000e-03  1.7442000000e-03 -6.9880000000e-04  5.1880000000e-04 -8.7930000000e-03 -3.6690000000e-03 -1.8412000000e-03 -6.0792000000e-03  7.6380000000e-04  8.2130000000e-04 -3.7420000000e-04 -5.5125000000e-03  3.4204000000e-03 -3.7384000000e-03  3.3658000000e-03
-
-JOB 495
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5374000000e-01  4.3491400000e-01 -8.1406200000e-01  6.9232200000e-01 -6.0831500000e-01 -2.5860300000e-01  1.4857000000e+00 -2.0653400000e+00 -1.2891400000e+00  1.8779600000e+00 -2.5716650000e+00 -5.7780300000e-01  1.2963230000e+00 -2.7126370000e+00 -1.9683860000e+00
-ENERGY -1.526589926305e+02
-FORCES  4.8272000000e-03 -6.6866000000e-03 -9.3194000000e-03 -1.9330000000e-04 -4.8620000000e-04  2.5671000000e-03 -7.7300000000e-04  4.3401000000e-03  7.1355000000e-03 -3.1183000000e-03 -2.9276000000e-03 -6.5160000000e-04 -2.8284000000e-03  3.7803000000e-03 -3.0288000000e-03  2.0858000000e-03  1.9800000000e-03  3.2971000000e-03
-
-JOB 496
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2010000000e-03  5.3917300000e-01  7.9089000000e-01  8.8414100000e-01  9.8914000000e-02 -3.5318800000e-01 -2.2858200000e+00 -1.0486600000e+00 -1.0393690000e+00 -1.3666260000e+00 -8.2417300000e-01 -8.9473500000e-01 -2.7738290000e+00 -3.1636900000e-01 -6.6276600000e-01
-ENERGY -1.526587148349e+02
-FORCES -4.0931000000e-03 -2.6860000000e-04  6.4410000000e-04  1.3880000000e-03 -1.7168000000e-03 -4.1936000000e-03 -4.6202000000e-03 -3.0800000000e-04  2.1730000000e-03  1.1127000000e-02  8.2836000000e-03  6.7559000000e-03 -3.9519000000e-03 -3.9668000000e-03 -4.8450000000e-03  1.5020000000e-04 -2.0234000000e-03 -5.3440000000e-04
-
-JOB 497
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3978100000e-01 -2.9236700000e-01 -5.3242500000e-01 -3.7782000000e-01  1.7049100000e-01  8.6279600000e-01 -2.1534390000e+00 -8.5620000000e-01 -1.3741480000e+00 -2.6131870000e+00 -1.5633090000e+00 -9.2153200000e-01 -2.0955710000e+00 -1.1507480000e+00 -2.2830610000e+00
-ENERGY -1.526599547375e+02
-FORCES -1.4251600000e-02 -3.9111000000e-03 -7.1410000000e-03  7.7567000000e-03  2.4455000000e-03  5.1975000000e-03  1.2430000000e-04 -1.4334000000e-03 -2.4377000000e-03  4.7812000000e-03 -1.4114000000e-03  1.8154000000e-03  2.4826000000e-03  3.7367000000e-03 -2.6443000000e-03 -8.9320000000e-04  5.7360000000e-04  5.2101000000e-03
-
-JOB 498
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2085800000e-01  5.0926600000e-01  3.7046500000e-01 -1.3605200000e-01 -7.1267600000e-01  6.2435100000e-01 -2.0121840000e+00  1.6983500000e+00  6.8715000000e-01 -1.2046080000e+00  1.2734410000e+00  3.9817600000e-01 -1.8662890000e+00  2.6295770000e+00  5.2052600000e-01
-ENERGY -1.526586635767e+02
-FORCES -1.8201000000e-03 -1.7543000000e-03  4.9896000000e-03 -7.3751000000e-03  4.5700000000e-05 -1.4906000000e-03  1.5323000000e-03  4.4434000000e-03 -3.2645000000e-03  9.8277000000e-03 -8.1614000000e-03 -5.9061000000e-03 -4.2242000000e-03  9.3055000000e-03  5.5898000000e-03  2.0594000000e-03 -3.8789000000e-03  8.1700000000e-05
-
-JOB 499
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3403300000e-01  6.2463700000e-01  3.5222500000e-01 -8.5304000000e-01  3.6946100000e-01  2.2815100000e-01 -2.6470950000e+00  5.2506800000e-01  9.1539800000e-01 -3.1832960000e+00  6.3802200000e-01  1.3056500000e-01 -2.6065360000e+00  1.3979980000e+00  1.3060140000e+00
-ENERGY -1.526591827520e+02
-FORCES -9.3131000000e-03  2.6610000000e-03  5.2493000000e-03 -3.3667000000e-03 -1.2419000000e-03 -5.1600000000e-04  1.0044000000e-02  1.4814000000e-03 -5.0085000000e-03 -4.0440000000e-03  1.8456000000e-03 -3.2170000000e-04  4.4552000000e-03 -5.0000000000e-06  4.0741000000e-03  2.2246000000e-03 -4.7412000000e-03 -3.4773000000e-03
-
-JOB 500
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3522500000e-01  9.3555300000e-01 -1.5062000000e-01 -2.6829100000e-01 -4.1620100000e-01 -8.1916300000e-01 -2.1734790000e+00  1.3357400000e+00 -3.2039390000e+00 -1.6939920000e+00  5.0869700000e-01 -3.1557370000e+00 -2.2502300000e+00  1.5143730000e+00 -4.1411860000e+00
-ENERGY -1.526539712105e+02
-FORCES -2.1662000000e-03  2.9984000000e-03 -3.5249000000e-03  1.2571000000e-03 -4.4715000000e-03  9.6850000000e-04  1.0048000000e-03  1.3006000000e-03  2.2832000000e-03  6.5820000000e-04 -2.3610000000e-03 -5.0872000000e-03 -1.0601000000e-03  3.3711000000e-03  1.2677000000e-03  3.0620000000e-04 -8.3750000000e-04  4.0926000000e-03
-
-JOB 501
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0815700000e-01  9.2159400000e-01 -2.3494400000e-01 -8.5815400000e-01 -2.3801200000e-01 -3.5093300000e-01  3.3930770000e+00  3.6827200000e-01 -2.2004750000e+00  3.3303470000e+00  8.0882700000e-01 -1.3530030000e+00  2.9515910000e+00 -4.7065600000e-01 -2.0681000000e+00
-ENERGY -1.526558532904e+02
-FORCES -4.3925000000e-03  2.9731000000e-03 -2.2729000000e-03  2.3860000000e-04 -4.0407000000e-03  1.2320000000e-03  3.6073000000e-03  9.8490000000e-04  1.5208000000e-03 -2.3995000000e-03 -2.6158000000e-03  4.7579000000e-03  3.4430000000e-04 -7.2600000000e-04 -3.6976000000e-03  2.6018000000e-03  3.4246000000e-03 -1.5402000000e-03
-
-JOB 502
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0134000000e-02 -2.5190700000e-01  9.1904900000e-01  5.2822500000e-01  7.9798900000e-01  2.0580000000e-02  9.9825000000e-02 -6.0807000000e-01  2.6573250000e+00 -7.9160200000e-01 -4.1843400000e-01  2.9499460000e+00  5.9260000000e-01  1.8768700000e-01  2.8577650000e+00
-ENERGY -1.526573690245e+02
-FORCES  2.4906000000e-03 -3.6357000000e-03  1.5803900000e-02 -2.6053000000e-03  5.8297000000e-03 -8.5519000000e-03 -1.4636000000e-03 -2.2617000000e-03  1.6849000000e-03 -1.6330000000e-04  3.8429000000e-03 -2.7640000000e-04  5.3972000000e-03 -1.5670000000e-04 -4.4185000000e-03 -3.6556000000e-03 -3.6185000000e-03 -4.2419000000e-03
-
-JOB 503
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4248100000e-01 -1.6503000000e-01 -2.6952000000e-02  8.1995000000e-02  8.5454700000e-01  4.2338800000e-01  2.0382580000e+00 -1.6761270000e+00 -1.6215930000e+00  1.4441400000e+00 -9.4972100000e-01 -1.4329400000e+00  1.7971330000e+00 -1.9606290000e+00 -2.5031540000e+00
-ENERGY -1.526595427197e+02
-FORCES -4.2077000000e-03  2.3343000000e-03  3.6354000000e-03  4.1542000000e-03  1.4259000000e-03  7.7200000000e-05 -9.6160000000e-04 -3.9005000000e-03 -1.9889000000e-03 -5.3086000000e-03  3.7158000000e-03  5.8540000000e-04  6.0713000000e-03 -4.6586000000e-03 -5.5248000000e-03  2.5240000000e-04  1.0832000000e-03  3.2157000000e-03
-
-JOB 504
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2566000000e-01  9.8693000000e-02  6.1636700000e-01 -4.2203200000e-01 -1.6520200000e-01 -8.4310700000e-01 -2.2115730000e+00 -1.1415160000e+00 -1.9298190000e+00 -2.9695170000e+00 -5.6524100000e-01 -1.8315320000e+00 -2.5844040000e+00 -2.0215610000e+00 -1.9822510000e+00
-ENERGY -1.526591097422e+02
-FORCES -7.2381000000e-03 -3.1758000000e-03 -3.5001000000e-03  2.5611000000e-03  5.1290000000e-04 -1.0847000000e-03  5.0637000000e-03  4.2830000000e-03  4.5459000000e-03 -4.8769000000e-03 -3.4704000000e-03 -4.5170000000e-04  3.9624000000e-03 -2.4966000000e-03  4.7560000000e-04  5.2790000000e-04  4.3469000000e-03  1.4900000000e-05
-
-JOB 505
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3003400000e-01 -8.8121100000e-01 -2.9459000000e-01 -8.0067000000e-01  2.1206400000e-01 -4.7978000000e-01  1.6294230000e+00  2.6064400000e+00 -9.9021200000e-01  1.3571520000e+00  1.7350890000e+00 -7.0237900000e-01  1.1827150000e+00  3.2068140000e+00 -3.9335800000e-01
-ENERGY -1.526605123976e+02
-FORCES -4.3488000000e-03 -5.2193000000e-03 -2.3040000000e-03 -1.2860000000e-03  4.3231000000e-03  1.0748000000e-03  4.3202000000e-03 -7.2050000000e-04  2.3024000000e-03 -3.7572000000e-03 -4.1875000000e-03  5.3785000000e-03  3.8282000000e-03  7.3018000000e-03 -3.9465000000e-03  1.2435000000e-03 -1.4977000000e-03 -2.5052000000e-03
-
-JOB 506
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5992400000e-01 -2.7140200000e-01  6.3802300000e-01 -3.5196100000e-01  8.0396400000e-01 -3.8209600000e-01 -2.2597610000e+00 -3.6452600000e-01  1.5147130000e+00 -3.0323620000e+00  1.8413900000e-01  1.6499360000e+00 -2.5992910000e+00 -1.2594530000e+00  1.5071550000e+00
-ENERGY -1.526590768449e+02
-FORCES -1.3486400000e-02  1.6414000000e-03  6.9082000000e-03  6.6608000000e-03 -3.0878000000e-03 -3.0172000000e-03  1.5886000000e-03 -1.4104000000e-03  3.0460000000e-04  7.9000000000e-04  1.6554000000e-03 -3.4216000000e-03  2.5816000000e-03 -3.7793000000e-03 -6.5010000000e-04  1.8653000000e-03  4.9808000000e-03 -1.2390000000e-04
-
-JOB 507
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2994000000e-01 -9.1503800000e-01 -1.6144400000e-01 -6.7672400000e-01  5.0135600000e-01 -4.5488400000e-01  2.4714410000e+00  2.1645500000e-01 -1.4154730000e+00  3.0796790000e+00 -4.5999400000e-01 -1.1176570000e+00  1.7691310000e+00  2.1088300000e-01 -7.6511800000e-01
-ENERGY -1.526611513920e+02
-FORCES -3.3788000000e-03 -1.2625000000e-03 -4.6951000000e-03  1.6533000000e-03  4.6011000000e-03  7.8200000000e-04  2.8939000000e-03 -3.1775000000e-03  2.4180000000e-03 -7.6263000000e-03 -1.3302000000e-03  7.3923000000e-03 -3.0718000000e-03  1.4007000000e-03 -5.1070000000e-04  9.5297000000e-03 -2.3160000000e-04 -5.3866000000e-03
-
-JOB 508
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9065200000e-01  6.0863700000e-01  4.4376000000e-01  7.8059500000e-01  5.1980000000e-01 -1.9160100000e-01 -2.1492560000e+00  1.9456970000e+00  8.5298800000e-01 -3.0360320000e+00  1.6061060000e+00  9.7356100000e-01 -2.2615850000e+00  2.7193730000e+00  3.0068400000e-01
-ENERGY -1.526611628686e+02
-FORCES -3.6159000000e-03  7.1941000000e-03  2.6795000000e-03  7.3197000000e-03 -6.5800000000e-03 -2.4164000000e-03 -2.6994000000e-03 -1.2343000000e-03  3.3410000000e-04 -4.9029000000e-03  1.5827000000e-03 -2.6563000000e-03  3.8332000000e-03  2.3911000000e-03 -7.6640000000e-04  6.5300000000e-05 -3.3535000000e-03  2.8254000000e-03
-
-JOB 509
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9849300000e-01 -5.4413100000e-01  7.2873600000e-01  7.8380900000e-01  1.4092500000e-01 -5.3105000000e-01 -2.6498000000e-02 -9.2205100000e-01  2.5471990000e+00  8.0769000000e-01 -5.5942800000e-01  2.8453040000e+00  1.7494400000e-01 -1.8287730000e+00  2.3158790000e+00
-ENERGY -1.526536613262e+02
-FORCES -1.1500000000e-04 -3.6782000000e-03  1.1412900000e-02  4.6146000000e-03 -1.5744000000e-03 -8.2329000000e-03 -1.9551000000e-03 -1.3729000000e-03  4.7142000000e-03  1.2931000000e-03  1.0931000000e-03  5.7810000000e-04 -4.0224000000e-03 -2.3084000000e-03 -4.8413000000e-03  1.8490000000e-04  7.8407000000e-03 -3.6311000000e-03
-
-JOB 510
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.9188000000e-02 -9.2179200000e-01  2.3810200000e-01 -2.0248000000e-01 -1.4207000000e-02 -9.3543100000e-01  9.7322800000e-01  7.4353000000e-02 -3.0013350000e+00  1.8565170000e+00 -2.9162800000e-01 -2.9556260000e+00  1.1030060000e+00  9.8015900000e-01 -3.2822330000e+00
-ENERGY -1.526590827190e+02
-FORCES  7.9220000000e-04 -3.4042000000e-03 -6.8361000000e-03  8.0200000000e-05  3.0946000000e-03 -5.8830000000e-04 -2.6226000000e-03  3.7200000000e-04  7.8204000000e-03  6.1812000000e-03  2.6449000000e-03 -5.1860000000e-04 -3.7879000000e-03  1.4296000000e-03 -1.0145000000e-03 -6.4310000000e-04 -4.1368000000e-03  1.1372000000e-03
-
-JOB 511
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5346500000e-01  1.6899300000e-01 -3.9908700000e-01  1.7066700000e-01 -6.7847200000e-01  6.5328400000e-01  3.2852100000e-01 -2.0316870000e+00  1.8112480000e+00  8.7871500000e-01 -2.6631240000e+00  1.3477770000e+00 -2.5683800000e-01 -2.5694000000e+00  2.3445880000e+00
-ENERGY -1.526596865504e+02
-FORCES  2.2361000000e-03 -8.4289000000e-03  9.3402000000e-03 -2.0688000000e-03 -2.3251000000e-03  1.8310000000e-03  2.1648000000e-03  5.6709000000e-03 -8.1084000000e-03 -3.5880000000e-03 -4.4900000000e-05 -2.2671000000e-03 -2.9622000000e-03  4.2903000000e-03  1.7606000000e-03  4.2181000000e-03  8.3780000000e-04 -2.5563000000e-03
-
-JOB 512
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8237400000e-01  9.1274000000e-02  8.2171500000e-01 -4.2639700000e-01 -8.5446200000e-01  6.5665000000e-02  5.2304000000e-01  7.6229500000e-01  2.7470370000e+00  8.2350200000e-01 -5.3979000000e-02  3.1466020000e+00  1.1093300000e+00  1.4319410000e+00  3.0992730000e+00
-ENERGY -1.526580285148e+02
-FORCES  1.6660000000e-04  1.3201000000e-03  9.7587000000e-03  2.8260000000e-04 -5.5008000000e-03 -7.9245000000e-03  1.8716000000e-03  2.5596000000e-03  5.2830000000e-04  1.8938000000e-03  1.9893000000e-03  3.9478000000e-03 -1.3724000000e-03  3.5394000000e-03 -4.9410000000e-03 -2.8422000000e-03 -3.9076000000e-03 -1.3693000000e-03
-
-JOB 513
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2202100000e-01  4.4935700000e-01  1.9644600000e-01  2.9740000000e-02 -1.5271800000e-01 -9.4447100000e-01  9.6826200000e-01 -5.6266500000e-01 -2.6440940000e+00  1.4848470000e+00  4.9660000000e-02 -3.1679550000e+00  1.6181270000e+00 -1.1216470000e+00 -2.2181280000e+00
-ENERGY -1.526597584316e+02
-FORCES  4.6116000000e-03  1.1599000000e-03 -1.0671900000e-02 -1.7817000000e-03 -1.8424000000e-03 -6.1300000000e-05 -2.0960000000e-03 -7.0990000000e-04  8.8365000000e-03  4.3660000000e-03  3.0180000000e-04 -3.3300000000e-05 -1.5512000000e-03 -3.3377000000e-03  3.2318000000e-03 -3.5487000000e-03  4.4281000000e-03 -1.3018000000e-03
-
-JOB 514
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1564300000e-01  3.4463500000e-01  7.2908900000e-01 -6.5118300000e-01 -3.1945000000e-01 -6.2461500000e-01  2.3729680000e+00 -1.3648730000e+00  7.3594200000e-01  2.2240320000e+00 -2.2982700000e+00  8.8700600000e-01  1.5827750000e+00 -1.0654520000e+00  2.8630300000e-01
-ENERGY -1.526605547097e+02
-FORCES -2.4461000000e-03  1.0297000000e-03  3.3084000000e-03  8.7500000000e-04 -1.6568000000e-03 -4.6379000000e-03  3.3909000000e-03  6.8670000000e-04  3.7610000000e-03 -9.5693000000e-03  3.0153000000e-03 -2.8300000000e-03 -5.3960000000e-04  3.1075000000e-03 -7.5460000000e-04  8.2892000000e-03 -6.1825000000e-03  1.1531000000e-03
-
-JOB 515
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9843300000e-01  6.5670900000e-01  3.5615100000e-01  3.1107700000e-01 -8.2965800000e-01  3.6212000000e-01  2.5374740000e+00 -4.4807100000e-01  1.7819630000e+00  2.7540020000e+00 -1.2193170000e+00  2.3059170000e+00  3.3644110000e+00 -1.9809900000e-01  1.3697490000e+00
-ENERGY -1.526583075814e+02
-FORCES  7.5407000000e-03 -1.3666000000e-03  6.3101000000e-03 -3.4233000000e-03  5.4340000000e-04 -3.5811000000e-03 -4.0581000000e-03  6.2790000000e-04 -2.8773000000e-03  5.0686000000e-03 -2.0514000000e-03  1.1865000000e-03 -1.0840000000e-03  3.1192000000e-03 -2.9899000000e-03 -4.0439000000e-03 -8.7250000000e-04  1.9518000000e-03
-
-JOB 516
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7223700000e-01 -5.5106100000e-01 -4.0082400000e-01 -9.0535000000e-02  8.4611900000e-01 -4.3831400000e-01 -1.8150680000e+00 -8.4851700000e-01 -2.0302980000e+00 -1.8183290000e+00 -5.1478000000e-02 -2.5603440000e+00 -2.6857110000e+00 -8.7642400000e-01 -1.6335170000e+00
-ENERGY -1.526577495183e+02
-FORCES -7.7126000000e-03 -2.1860000000e-03 -1.0835500000e-02  2.7294000000e-03  1.6538000000e-03  8.1224000000e-03  5.2080000000e-04 -1.3187000000e-03  1.2866000000e-03 -1.4954000000e-03  4.3175000000e-03 -1.8771000000e-03 -1.0030000000e-04 -3.3379000000e-03  3.5918000000e-03  6.0580000000e-03  8.7130000000e-04 -2.8820000000e-04
-
-JOB 517
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0380500000e-01 -6.1779000000e-01  6.0951500000e-01 -4.8559400000e-01  8.1497600000e-01  1.2745100000e-01 -1.5786460000e+00 -1.5750950000e+00  1.6496290000e+00 -1.2404040000e+00 -1.3414340000e+00  2.5140520000e+00 -1.1158200000e+00 -2.3810670000e+00  1.4206460000e+00
-ENERGY -1.526583223366e+02
-FORCES -1.2252000000e-02 -5.3221000000e-03  8.6173000000e-03  9.2693000000e-03  1.0689000000e-03 -3.5338000000e-03  2.0146000000e-03 -1.7021000000e-03 -4.8700000000e-05  1.7116000000e-03 -1.7220000000e-03  1.4589000000e-03 -4.2300000000e-04 -1.8000000000e-05 -6.5664000000e-03 -3.2050000000e-04  7.6954000000e-03  7.2600000000e-05
-
-JOB 518
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3945200000e-01 -4.7170500000e-01  7.0753700000e-01  5.5361800000e-01 -1.4743200000e-01 -7.6681300000e-01 -4.7615400000e-01  2.7635480000e+00  5.4877000000e-01 -3.6388300000e-01  1.8131660000e+00  5.2874500000e-01 -1.2140370000e+00  2.9055960000e+00  1.1417140000e+00
-ENERGY -1.526615329151e+02
-FORCES  4.0677000000e-03 -1.0338000000e-03 -2.4728000000e-03 -2.2347000000e-03  3.2423000000e-03 -3.3976000000e-03 -2.2542000000e-03 -5.5620000000e-04  4.4689000000e-03 -6.7530000000e-04 -1.0306500000e-02 -1.2492000000e-03 -1.3991000000e-03  1.0253000000e-02  4.1498000000e-03  2.4956000000e-03 -1.5988000000e-03 -1.4992000000e-03
-
-JOB 519
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8983000000e-02 -1.5223100000e-01 -9.4249600000e-01 -2.3191500000e-01  9.2546000000e-01  7.7278000000e-02 -1.6438540000e+00 -2.2067060000e+00  7.3150300000e-01 -1.1711440000e+00 -1.4043610000e+00  5.1010000000e-01 -2.2903330000e+00 -1.9326240000e+00  1.3820220000e+00
-ENERGY -1.526610817609e+02
-FORCES -1.8900000000e-04  2.5377000000e-03 -2.9407000000e-03 -1.5759000000e-03  7.7840000000e-04  5.6333000000e-03  1.0009000000e-03 -4.7094000000e-03 -8.8210000000e-04  5.3056000000e-03  1.0081400000e-02  1.1420000000e-04 -6.6281000000e-03 -8.7014000000e-03  1.1840000000e-04  2.0865000000e-03  1.3300000000e-05 -2.0431000000e-03
-
-JOB 520
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5170000000e-01  7.8214500000e-01 -1.0432000000e-02  5.8197800000e-01  1.2680300000e-01  7.4930200000e-01  1.9826420000e+00 -3.7407300000e-01  1.9964810000e+00  1.9346440000e+00 -8.3989400000e-01  2.8313100000e+00  2.9155490000e+00 -3.6028300000e-01  1.7826480000e+00
-ENERGY -1.526611288187e+02
-FORCES  5.3430000000e-03  5.7420000000e-04  6.9458000000e-03  2.4709000000e-03 -2.3893000000e-03  1.1289000000e-03 -7.0069000000e-03  2.7821000000e-03 -6.9044000000e-03  1.4828000000e-03 -2.7465000000e-03  4.0300000000e-05  1.6809000000e-03  2.2131000000e-03 -3.5231000000e-03 -3.9708000000e-03 -4.3370000000e-04  2.3125000000e-03
-
-JOB 521
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2641300000e-01 -3.3770600000e-01 -5.2393700000e-01 -1.0615100000e-01 -4.1756100000e-01  8.5475500000e-01 -7.4202400000e-01 -1.2072640000e+00  2.7333920000e+00 -8.1932200000e-01 -2.1455860000e+00  2.5607370000e+00 -1.6273650000e+00 -9.3365400000e-01  2.9732690000e+00
-ENERGY -1.526603887742e+02
-FORCES -3.7569000000e-03 -3.9420000000e-03  6.4705000000e-03  2.1374000000e-03  8.5690000000e-04  1.8291000000e-03  2.2273000000e-03  2.5113000000e-03 -9.7498000000e-03 -4.8893000000e-03 -2.6951000000e-03  3.6791000000e-03  9.0200000000e-05  5.3873000000e-03 -6.0720000000e-04  4.1914000000e-03 -2.1184000000e-03 -1.6218000000e-03
-
-JOB 522
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1876000000e-02  7.8498000000e-02  9.5196700000e-01 -5.4507100000e-01  7.1177100000e-01 -3.3542700000e-01  3.5280800000e-01 -2.2945610000e+00 -1.5917370000e+00 -1.6462400000e-01 -3.0556190000e+00 -1.3285150000e+00  4.2466000000e-02 -1.5865100000e+00 -1.0273050000e+00
-ENERGY -1.526608484401e+02
-FORCES -4.3040000000e-04  1.3867000000e-03  1.5162000000e-03 -5.0680000000e-04  4.9160000000e-04 -4.7599000000e-03  2.3893000000e-03 -3.8763000000e-03  2.4391000000e-03 -2.4588000000e-03  7.2119000000e-03  7.2082000000e-03  1.3169000000e-03  3.0612000000e-03  1.7670000000e-04 -3.1020000000e-04 -8.2750000000e-03 -6.5802000000e-03
-
-JOB 523
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3915900000e-01 -8.6657400000e-01 -2.2417200000e-01 -7.3052600000e-01  4.3803400000e-01  4.3668100000e-01  3.5406700000e-01 -2.1520250000e+00 -1.8238650000e+00 -1.4297700000e-01 -2.0620180000e+00 -2.6369320000e+00 -7.1337000000e-02 -2.8739680000e+00 -1.3611970000e+00
-ENERGY -1.526545646769e+02
-FORCES -9.6270000000e-04 -5.6497000000e-03 -3.9179000000e-03 -2.7804000000e-03  3.3670000000e-03  6.5474000000e-03  2.3831000000e-03 -2.8547000000e-03 -2.9503000000e-03 -1.2610000000e-03 -8.8100000000e-04 -4.1754000000e-03  2.0124000000e-03 -9.2110000000e-04  4.2958000000e-03  6.0870000000e-04  6.9395000000e-03  2.0030000000e-04
-
-JOB 524
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1718500000e-01  9.2136400000e-01  2.3149000000e-01 -6.1379500000e-01 -4.6933900000e-01  5.6498600000e-01 -1.7652380000e+00 -8.1947500000e-01  3.4899350000e+00 -2.2466720000e+00 -6.7590900000e-01  2.6751700000e+00 -1.9419200000e+00 -1.7328250000e+00  3.7153390000e+00
-ENERGY -1.526537887761e+02
-FORCES -1.7642000000e-03  2.0059000000e-03  4.5212000000e-03  5.8500000000e-05 -3.8083000000e-03 -1.5010000000e-03  7.1700000000e-04  1.8322000000e-03 -3.3754000000e-03 -3.5947000000e-03 -3.8381000000e-03 -4.2920000000e-04  3.8678000000e-03 -3.5370000000e-04  1.9695000000e-03  7.1570000000e-04  4.1621000000e-03 -1.1852000000e-03
-
-JOB 525
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8718300000e-01  3.4301400000e-01  8.0539600000e-01 -5.5481000000e-02  7.5829400000e-01 -5.8150200000e-01  3.0863390000e+00  2.0077180000e+00 -1.4181640000e+00  3.6494470000e+00  1.3465100000e+00 -1.0157390000e+00  2.8584400000e+00  2.5981210000e+00 -7.0003000000e-01
-ENERGY -1.526544649605e+02
-FORCES  1.8122000000e-03  4.7895000000e-03 -3.6830000000e-04 -1.2536000000e-03 -1.3101000000e-03 -2.9031000000e-03 -9.5110000000e-04 -3.1006000000e-03  3.4236000000e-03  2.6881000000e-03 -9.0970000000e-04  4.1172000000e-03 -2.1934000000e-03  3.3542000000e-03 -1.4650000000e-03 -1.0220000000e-04 -2.8233000000e-03 -2.8044000000e-03
-
-JOB 526
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7708600000e-01  5.3048300000e-01 -7.4702300000e-01 -2.7624000000e-01 -8.3149000000e-01 -3.8542000000e-01  1.1559010000e+00  6.7407000000e-01 -2.5164680000e+00  1.4897630000e+00  1.5095080000e+00 -2.8432880000e+00  1.7813750000e+00  2.3974000000e-02 -2.8364510000e+00
-ENERGY -1.526600106260e+02
-FORCES  3.3331000000e-03  6.8200000000e-04 -1.1909500000e-02 -3.7370000000e-03  2.9200000000e-04  7.6506000000e-03  9.4500000000e-04  1.3984000000e-03  1.9238000000e-03  3.6319000000e-03 -1.6665000000e-03  7.6600000000e-05 -1.2271000000e-03 -4.2760000000e-03  1.9542000000e-03 -2.9459000000e-03  3.5701000000e-03  3.0430000000e-04
-
-JOB 527
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8200100000e-01  9.0512800000e-01 -1.3210300000e-01  8.4267500000e-01 -5.6990000000e-02 -4.5042400000e-01 -1.1372290000e+00  2.4451380000e+00 -9.5272400000e-01 -1.4685360000e+00  2.6332460000e+00 -1.8308370000e+00 -1.8559140000e+00  2.6863250000e+00 -3.6829900000e-01
-ENERGY -1.526603602240e+02
-FORCES -1.3068000000e-03  9.5970000000e-03 -5.7038000000e-03  2.7076000000e-03 -6.6190000000e-03  6.2637000000e-03 -2.5457000000e-03  7.7000000000e-06  9.6400000000e-04 -3.3503000000e-03 -1.7001000000e-03 -3.0226000000e-03  6.2930000000e-04  6.4960000000e-04  4.3962000000e-03  3.8659000000e-03 -1.9354000000e-03 -2.8975000000e-03
-
-JOB 528
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4817500000e-01 -7.6770200000e-01 -3.5497100000e-01  6.9925100000e-01  5.3149400000e-01  3.8051800000e-01  1.9068270000e+00  1.2759800000e+00  1.6752550000e+00  1.2193020000e+00  1.5106560000e+00  2.2985270000e+00  2.1556980000e+00  3.8390200000e-01  1.9171050000e+00
-ENERGY -1.526595578658e+02
-FORCES  9.7974000000e-03  5.1892000000e-03  3.3732000000e-03 -4.5060000000e-04  2.5509000000e-03  2.5640000000e-03 -7.4671000000e-03 -7.1136000000e-03 -2.9980000000e-03 -2.5406000000e-03 -2.8555000000e-03  5.6985000000e-03  3.3945000000e-03 -1.7995000000e-03 -4.6187000000e-03 -2.7337000000e-03  4.0285000000e-03 -4.0188000000e-03
-
-JOB 529
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0007900000e-01  6.6741900000e-01  6.1703800000e-01 -1.1723300000e-01 -7.8547600000e-01  5.3433600000e-01  8.9892300000e-01  2.2145480000e+00  1.3442270000e+00  5.2934800000e-01  2.2679820000e+00  2.2255850000e+00  1.7728590000e+00  1.8457190000e+00  1.4724130000e+00
-ENERGY -1.526582874346e+02
-FORCES  2.7907000000e-03  1.0847500000e-02  7.2661000000e-03 -5.5300000000e-05 -1.1440200000e-02 -2.5460000000e-03  1.2699000000e-03  4.1549000000e-03 -2.0300000000e-05  1.4025000000e-03 -1.3000000000e-05  1.6385000000e-03  2.0187000000e-03 -2.5459000000e-03 -5.3177000000e-03 -7.4266000000e-03 -1.0034000000e-03 -1.0207000000e-03
-
-JOB 530
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4319000000e-02  6.4352400000e-01 -7.0720900000e-01 -8.7284700000e-01  1.4413000000e-02  3.9263500000e-01 -7.0120300000e-01 -2.6138850000e+00 -1.0638610000e+00 -3.7724900000e-01 -1.7593380000e+00 -7.7919200000e-01 -9.4811500000e-01 -3.0591190000e+00 -2.5328500000e-01
-ENERGY -1.526603200342e+02
-FORCES -3.3093000000e-03  4.8204000000e-03 -7.3970000000e-04 -3.1610000000e-04 -4.0796000000e-03  3.6310000000e-03  4.8104000000e-03 -2.6020000000e-03 -3.1630000000e-03  4.6159000000e-03  7.7826000000e-03  6.1937000000e-03 -5.8762000000e-03 -8.2348000000e-03 -3.6953000000e-03  7.5300000000e-05  2.3135000000e-03 -2.2267000000e-03
-
-JOB 531
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3255600000e-01  7.6163700000e-01  2.2918400000e-01  8.9316200000e-01  2.5252000000e-01  2.3393700000e-01 -1.8602560000e+00  2.0661050000e+00  6.4548700000e-01 -2.1559230000e+00  2.9748700000e+00  5.9108000000e-01 -2.2260840000e+00  1.7436160000e+00  1.4691380000e+00
-ENERGY -1.526609681713e+02
-FORCES -3.4136000000e-03  8.9014000000e-03  1.3871000000e-03  5.0611000000e-03 -8.3502000000e-03  9.3250000000e-04 -2.9752000000e-03 -3.0180000000e-04 -4.8150000000e-04 -1.5359000000e-03  1.9081000000e-03  6.5220000000e-04  1.7070000000e-04 -4.2342000000e-03  1.7887000000e-03  2.6929000000e-03  2.0767000000e-03 -4.2790000000e-03
-
-JOB 532
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8833400000e-01  9.3586900000e-01  7.0075000000e-02 -8.0616400000e-01 -4.2915100000e-01  2.8663600000e-01  1.2373120000e+00 -4.5573500000e-01 -2.2705940000e+00  2.0243770000e+00 -9.5464700000e-01 -2.0518510000e+00  8.4671800000e-01 -2.4018400000e-01 -1.4237140000e+00
-ENERGY -1.526592256034e+02
-FORCES  6.8520000000e-04 -2.7886000000e-03 -8.8220000000e-03  7.0630000000e-04 -5.7252000000e-03 -1.3335000000e-03  3.6042000000e-03  3.8872000000e-03 -8.5000000000e-05 -7.6352000000e-03  1.2869000000e-03  1.6848500000e-02 -2.6303000000e-03  1.2512000000e-03  6.2680000000e-04  5.2697000000e-03  2.0883000000e-03 -7.2349000000e-03
-
-JOB 533
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0693300000e-01 -1.2577000000e-02  7.4007200000e-01  8.1432400000e-01  3.4797800000e-01  3.6334400000e-01  2.0526480000e+00  1.4105070000e+00  2.1439370000e+00  2.3853810000e+00  2.2875570000e+00  1.9534010000e+00  1.9207360000e+00  1.4045930000e+00  3.0919860000e+00
-ENERGY -1.526595210777e+02
-FORCES  3.0929000000e-03  2.7270000000e-03  7.0158000000e-03  8.3880000000e-04 -5.6400000000e-04 -2.8397000000e-03 -4.5682000000e-03 -2.7823000000e-03 -5.7651000000e-03  1.6067000000e-03  4.0730000000e-03  4.6168000000e-03 -1.5685000000e-03 -4.0560000000e-03  1.0811000000e-03  5.9830000000e-04  6.0220000000e-04 -4.1090000000e-03
-
-JOB 534
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5075500000e-01 -2.6358700000e-01 -3.5067100000e-01  2.3423300000e-01  7.8150300000e-01 -5.0062000000e-01  1.3044990000e+00 -2.3519620000e+00  5.9659400000e-01  2.1409210000e+00 -2.3612370000e+00  1.3125100000e-01  9.9937100000e-01 -1.4476250000e+00  5.2376900000e-01
-ENERGY -1.526606271216e+02
-FORCES -3.3410000000e-04 -3.2296000000e-03 -2.5579000000e-03  4.2388000000e-03  2.8487000000e-03  1.1893000000e-03 -1.9107000000e-03 -3.9299000000e-03  1.5582000000e-03 -3.2753000000e-03  1.1861000000e-02 -3.9311000000e-03 -2.4687000000e-03  7.9640000000e-04  1.0439000000e-03  3.7500000000e-03 -8.3466000000e-03  2.6977000000e-03
-
-JOB 535
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5684300000e-01  6.2094100000e-01  6.3508000000e-01  7.6010500000e-01 -4.9633600000e-01 -3.0351900000e-01 -1.2541250000e+00 -2.8659010000e+00  2.0449590000e+00 -1.4210140000e+00 -2.8058070000e+00  1.1043370000e+00 -1.6152600000e+00 -2.0558490000e+00  2.4050010000e+00
-ENERGY -1.526561907205e+02
-FORCES  5.6976000000e-03  6.9790000000e-04  1.5593000000e-03 -1.7251000000e-03 -2.4090000000e-03 -2.6158000000e-03 -3.4369000000e-03  2.1573000000e-03  8.5890000000e-04 -1.9796000000e-03  5.3950000000e-03 -3.6389000000e-03  4.1260000000e-04 -2.1540000000e-03  3.8537000000e-03  1.0314000000e-03 -3.6873000000e-03 -1.7200000000e-05
-
-JOB 536
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6709700000e-01  8.2231500000e-01 -1.4782000000e-01 -4.6859100000e-01 -6.4151100000e-01 -5.3396400000e-01  2.0827540000e+00  1.9245200000e-01 -1.6295370000e+00  1.4538810000e+00  3.2731300000e-01 -9.2062000000e-01  2.7665170000e+00  8.4322600000e-01 -1.4708150000e+00
-ENERGY -1.526591336101e+02
-FORCES  9.9750000000e-04 -2.0547000000e-03 -7.7046000000e-03  5.1907000000e-03 -3.9568000000e-03 -6.4850000000e-04  1.9806000000e-03  4.4830000000e-03  3.1199000000e-03 -1.1069900000e-02 -1.4115000000e-03  1.1751800000e-02  7.0845000000e-03  4.0247000000e-03 -8.0451000000e-03 -4.1835000000e-03 -1.0848000000e-03  1.5265000000e-03
-
-JOB 537
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9863500000e-01 -4.1271500000e-01  7.0516700000e-01  4.2523100000e-01 -3.0140200000e-01 -8.0285000000e-01 -4.3633500000e-01  1.7672220000e+00 -3.6519370000e+00 -5.6897800000e-01  1.4065350000e+00 -4.5286030000e+00  1.6468600000e-01  1.1541900000e+00 -3.2286200000e+00
-ENERGY -1.526523414762e+02
-FORCES  3.6766000000e-03 -3.1564000000e-03  4.4300000000e-04 -2.2766000000e-03  1.7781000000e-03 -3.0230000000e-03 -1.5618000000e-03  1.9907000000e-03  2.0363000000e-03  1.5406000000e-03 -3.6213000000e-03 -1.6622000000e-03  6.1730000000e-04  1.5149000000e-03  3.7826000000e-03 -1.9961000000e-03  1.4941000000e-03 -1.5768000000e-03
-
-JOB 538
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4413800000e-01 -8.8632500000e-01 -2.6656400000e-01  2.2658000000e-01 -8.1847000000e-02  9.2638800000e-01 -1.6492720000e+00 -2.1301240000e+00 -1.0545410000e+00 -2.2029050000e+00 -1.3495380000e+00 -1.0343430000e+00 -1.9721330000e+00 -2.6720300000e+00 -3.3459000000e-01
-ENERGY -1.526603204685e+02
-FORCES -1.7078000000e-03 -8.6744000000e-03 -1.2001000000e-03  2.7121000000e-03  8.7918000000e-03  4.7220000000e-03 -1.6827000000e-03 -7.5940000000e-04 -3.2290000000e-03 -6.1703000000e-03  1.8454000000e-03  1.5379000000e-03  4.1866000000e-03 -4.7810000000e-03  8.0180000000e-04  2.6621000000e-03  3.5776000000e-03 -2.6326000000e-03
-
-JOB 539
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0402900000e-01  2.3468100000e-01 -7.7917400000e-01  3.3243800000e-01 -8.7839000000e-01 -1.8479000000e-01  3.3190570000e+00  2.2330550000e+00 -1.6466440000e+00  4.1727690000e+00  2.6227030000e+00 -1.4580110000e+00  3.3177880000e+00  1.4098420000e+00 -1.1582280000e+00
-ENERGY -1.526546836708e+02
-FORCES -1.7314000000e-03 -2.1603000000e-03 -4.1823000000e-03  1.9453000000e-03 -1.4728000000e-03  3.4316000000e-03 -7.0640000000e-04  3.8114000000e-03  8.0730000000e-04  2.8910000000e-03 -1.7243000000e-03  3.5979000000e-03 -3.3800000000e-03 -1.5955000000e-03 -8.3070000000e-04  9.8150000000e-04  3.1416000000e-03 -2.8239000000e-03
-
-JOB 540
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2581400000e-01  1.0423000000e-02  2.4288300000e-01 -3.9768100000e-01  6.8236400000e-01  5.4079700000e-01 -6.9249800000e-01 -2.7372790000e+00 -1.7546100000e-01 -3.2044400000e-01 -1.8622970000e+00 -6.4941000000e-02 -1.6375900000e+00 -2.6079900000e+00 -9.5979000000e-02
-ENERGY -1.526599032761e+02
-FORCES -2.7310000000e-04  1.2827000000e-03  2.9226000000e-03 -5.7713000000e-03 -1.6831000000e-03 -7.6940000000e-04  2.6929000000e-03 -2.7880000000e-03 -2.7648000000e-03 -1.0983000000e-03  1.3295300000e-02  5.4120000000e-04  2.3030000000e-03 -9.1093000000e-03 -4.2000000000e-06  2.1469000000e-03 -9.9760000000e-04  7.4500000000e-05
-
-JOB 541
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9839200000e-01  3.9314600000e-01  3.5247500000e-01 -5.8333000000e-01  7.4222700000e-01 -1.5829100000e-01  1.4856760000e+00  2.0500610000e+00  1.0286470000e+00  1.2515920000e+00  2.9000970000e+00  1.4013080000e+00  2.1445720000e+00  1.6987180000e+00  1.6275170000e+00
-ENERGY -1.526562343863e+02
-FORCES  5.2856000000e-03  1.4972300000e-02  4.5343000000e-03  2.6273000000e-03 -6.8713000000e-03  3.9470000000e-04 -1.1690000000e-03 -2.8891000000e-03 -7.1270000000e-04 -3.9464000000e-03 -1.3329000000e-03  1.2426000000e-03  1.7092000000e-03 -3.8922000000e-03 -1.3901000000e-03 -4.5067000000e-03  1.3200000000e-05 -4.0688000000e-03
-
-JOB 542
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9167800000e-01  3.2402700000e-01  1.2707500000e-01 -2.2765500000e-01  2.6681600000e-01 -8.9062600000e-01 -7.9347400000e-01  3.7948560000e+00 -1.4961090000e+00  1.1292100000e-01  3.4871560000e+00 -1.4966120000e+00 -7.4051500000e-01  4.6979280000e+00 -1.8089810000e+00
-ENERGY -1.526535975554e+02
-FORCES  1.6460000000e-03  2.4620000000e-03 -3.0015000000e-03 -3.4911000000e-03 -9.5780000000e-04 -8.2220000000e-04  2.0516000000e-03 -1.3952000000e-03  3.7132000000e-03  3.6077000000e-03  3.4492000000e-03 -9.1060000000e-04 -3.6568000000e-03  2.9740000000e-04 -3.5060000000e-04 -1.5750000000e-04 -3.8556000000e-03  1.3716000000e-03
-
-JOB 543
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4070900000e-01 -4.1487000000e-02  1.7198100000e-01  1.4298000000e-01  8.8304800000e-01 -3.4060900000e-01  1.1383400000e+00  6.4303500000e-01  2.2615990000e+00  9.8600500000e-01  4.7140300000e-01  1.3323150000e+00  1.8440290000e+00  1.2896330000e+00  2.2736910000e+00
-ENERGY -1.526551859194e+02
-FORCES -2.7078000000e-03  3.7607000000e-03  1.0382000000e-02  4.5772000000e-03  7.1940000000e-04 -2.7974000000e-03  2.8715000000e-03 -4.5857000000e-03  6.7378000000e-03 -6.6279000000e-03 -6.7479000000e-03 -1.4225600000e-02  5.4681000000e-03  8.8358000000e-03  3.7948000000e-03 -3.5812000000e-03 -1.9823000000e-03 -3.8916000000e-03
-
-JOB 544
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3894600000e-01  2.4019400000e-01 -5.5901400000e-01 -9.4957000000e-02  5.5426200000e-01  7.7460300000e-01  1.4499220000e+00  1.0921720000e+00  2.3436030000e+00  1.6331840000e+00  1.9050110000e+00  2.8147080000e+00  2.2733890000e+00  8.7805300000e-01  1.9050990000e+00
-ENERGY -1.526599508604e+02
-FORCES -1.0645000000e-03  3.7268000000e-03  4.4905000000e-03  2.6748000000e-03 -6.4400000000e-05  2.7202000000e-03 -3.6873000000e-03 -3.3154000000e-03 -7.5566000000e-03  5.9854000000e-03  9.8290000000e-04 -6.1700000000e-04 -7.3400000000e-04 -3.4149000000e-03 -2.4382000000e-03 -3.1744000000e-03  2.0850000000e-03  3.4010000000e-03
-
-JOB 545
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7915800000e-01  7.3225700000e-01  2.1120500000e-01 -1.5529900000e-01 -1.6847900000e-01 -9.2937000000e-01 -1.8860730000e+00  1.9879560000e+00 -2.0883600000e-01 -1.3029790000e+00  2.7009910000e+00 -4.6924600000e-01 -2.7645360000e+00  2.3641740000e+00 -2.6356800000e-01
-ENERGY -1.526586556944e+02
-FORCES -1.1481800000e-02  6.6710000000e-03 -3.2613000000e-03  7.4414000000e-03 -3.5840000000e-04  3.6540000000e-04  1.8758000000e-03 -7.1400000000e-05  1.9783000000e-03 -7.1000000000e-06 -8.5470000000e-04  2.3870000000e-04 -2.6482000000e-03 -5.0373000000e-03  1.8130000000e-03  4.8199000000e-03 -3.4920000000e-04 -1.1341000000e-03
-
-JOB 546
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6896900000e-01  6.7818800000e-01 -6.5402000000e-01  1.7794500000e-01  4.8355400000e-01  8.0668600000e-01  7.5105400000e-01  7.9459400000e-01  2.6659320000e+00 -1.6357900000e-01  9.0681500000e-01  2.9249370000e+00  1.1296560000e+00  1.6709170000e+00  2.7362910000e+00
-ENERGY -1.526589395733e+02
-FORCES  3.8641000000e-03  4.0857000000e-03  7.4268000000e-03  9.2850000000e-04 -1.3602000000e-03  3.6204000000e-03 -6.6273000000e-03 -5.9920000000e-04 -9.0721000000e-03 -3.0720000000e-04  2.3890000000e-03  4.6245000000e-03  5.0997000000e-03 -3.6200000000e-05 -4.8403000000e-03 -2.9578000000e-03 -4.4790000000e-03 -1.7593000000e-03
-
-JOB 547
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2647900000e-01  4.1162100000e-01 -2.5245100000e-01  4.2638600000e-01 -2.1131700000e-01 -8.3052500000e-01  1.6224780000e+00 -9.1620000000e-01 -1.9618530000e+00  2.2890940000e+00 -2.7449500000e-01 -1.7167610000e+00  1.4639240000e+00 -7.5427000000e-01 -2.8918380000e+00
-ENERGY -1.526590598086e+02
-FORCES  5.8058000000e-03 -5.9210000000e-03 -1.1458300000e-02  3.3123000000e-03 -1.7008000000e-03 -1.2330000000e-03 -3.8580000000e-03  7.7213000000e-03  7.4690000000e-03  1.3111000000e-03  2.2221000000e-03  7.0320000000e-04 -6.6377000000e-03 -2.6116000000e-03 -1.1640000000e-03  6.6400000000e-05  2.9000000000e-04  5.6832000000e-03
-
-JOB 548
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7653800000e-01  2.4078800000e-01 -6.3289000000e-01  7.9003600000e-01 -1.1956300000e-01 -5.2704800000e-01  2.2294900000e-01  1.0809230000e+00  2.6220540000e+00  3.7046900000e-01  1.0358060000e+00  1.6773660000e+00 -5.8437200000e-01  1.5867160000e+00  2.7149940000e+00
-ENERGY -1.526585076802e+02
-FORCES -1.0152000000e-03 -1.0882000000e-03 -2.9184000000e-03  3.6076000000e-03 -9.6870000000e-04  3.1653000000e-03 -4.0720000000e-03  1.7073000000e-03  3.2916000000e-03 -3.7924000000e-03 -2.9620000000e-03 -1.0462000000e-02  3.0344000000e-03  4.7556000000e-03  7.3354000000e-03  2.2376000000e-03 -1.4440000000e-03 -4.1190000000e-04
-
-JOB 549
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1008600000e-01  4.9882100000e-01 -1.0569100000e-01  6.7845200000e-01  5.6198000000e-01 -3.7431700000e-01  2.2744260000e+00  1.4219230000e+00 -7.1905900000e-01  2.7920540000e+00  1.0517390000e+00 -1.4340810000e+00  2.6638430000e+00  1.0544390000e+00  7.4378000000e-02
-ENERGY -1.526615910984e+02
-FORCES  7.5411000000e-03  8.5375000000e-03 -5.0560000000e-03  3.1387000000e-03 -7.5670000000e-04 -2.4960000000e-04 -7.1240000000e-03 -6.7137000000e-03  5.3979000000e-03  2.7649000000e-03 -3.6698000000e-03  1.0086000000e-03 -2.5782000000e-03  1.4949000000e-03  4.2108000000e-03 -3.7425000000e-03  1.1078000000e-03 -5.3116000000e-03
-
-JOB 550
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2244400000e-01 -2.4975700000e-01 -5.4320000000e-02 -9.5703000000e-02  3.7597400000e-01  8.7505200000e-01 -1.3334810000e+00  1.7340410000e+00 -1.7907370000e+00 -1.2414040000e+00  1.3811700000e+00 -2.6757440000e+00 -8.8574900000e-01  1.0992220000e+00 -1.2314760000e+00
-ENERGY -1.526616102475e+02
-FORCES  2.5524000000e-03  2.1882000000e-03  1.6520000000e-03 -4.4487000000e-03  1.0551000000e-03  1.1200000000e-03  1.2334000000e-03 -1.9285000000e-03 -4.7924000000e-03  5.8060000000e-03 -8.9944000000e-03  4.8610000000e-03  4.8980000000e-04  6.2810000000e-04  2.7414000000e-03 -5.6330000000e-03  7.0515000000e-03 -5.5820000000e-03
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-JOB 551
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4984800000e-01  1.7226500000e-01 -9.2957100000e-01  7.7410200000e-01 -5.6273600000e-01  1.8050000000e-02 -3.1462710000e+00 -1.5633950000e+00 -2.4104270000e+00 -2.5511500000e+00 -2.3118820000e+00 -2.4532080000e+00 -2.8104610000e+00 -9.5202000000e-01 -3.0659310000e+00
-ENERGY -1.526531110747e+02
-FORCES  1.8708000000e-03 -1.4923000000e-03 -3.5367000000e-03  1.2594000000e-03 -6.5420000000e-04  3.3851000000e-03 -3.2820000000e-03  2.1688000000e-03 -2.3760000000e-04  3.1437000000e-03 -1.0220000000e-03 -2.4509000000e-03 -2.2388000000e-03  3.3122000000e-03 -1.7000000000e-04 -7.5300000000e-04 -2.3125000000e-03  3.0100000000e-03
-
-JOB 552
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7323200000e-01 -6.7973700000e-01 -3.5439400000e-01  3.7722300000e-01  8.2093600000e-01 -3.1622600000e-01  1.9196810000e+00 -2.8143440000e+00  1.4087050000e+00  1.0905250000e+00 -2.3712100000e+00  1.2288010000e+00  2.5859850000e+00 -2.2378890000e+00  1.0345760000e+00
-ENERGY -1.526540877215e+02
-FORCES  3.1905000000e-03  2.6240000000e-03 -4.1508000000e-03 -1.9681000000e-03  1.6589000000e-03  4.2158000000e-03 -1.6097000000e-03 -3.7933000000e-03  1.2636000000e-03 -1.0415000000e-03  4.5709000000e-03  1.5250000000e-04  4.6435000000e-03 -2.6233000000e-03 -1.8490000000e-03 -3.2148000000e-03 -2.4371000000e-03  3.6790000000e-04
-
-JOB 553
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4086400000e-01 -4.5829600000e-01 -6.4316600000e-01  8.9993600000e-01 -2.0567300000e-01 -2.5307300000e-01 -1.5404430000e+00 -1.4715940000e+00 -1.9486990000e+00 -1.7622330000e+00 -7.8717500000e-01 -2.5800560000e+00 -2.3664690000e+00 -1.9284300000e+00 -1.7899100000e+00
-ENERGY -1.526616401743e+02
-FORCES -3.1493000000e-03 -7.5628000000e-03 -7.1792000000e-03  5.2135000000e-03  7.6941000000e-03  5.1042000000e-03 -2.7430000000e-03  8.2220000000e-04  3.7940000000e-04 -4.4968000000e-03 -4.5340000000e-04 -8.1510000000e-04  1.5403000000e-03 -3.1281000000e-03  4.5163000000e-03  3.6353000000e-03  2.6281000000e-03 -2.0056000000e-03
-
-JOB 554
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1045400000e-01  4.7768800000e-01  1.7666500000e-01 -6.3448200000e-01  3.6816800000e-01  6.1491200000e-01 -7.4294500000e-01  9.7184400000e-01 -2.5688810000e+00 -5.0328500000e-01  5.8498900000e-01 -1.7267770000e+00 -1.7537000000e-01  1.7382150000e+00 -2.6511350000e+00
-ENERGY -1.526603234942e+02
-FORCES  2.7270000000e-04  2.8741000000e-03  3.4003000000e-03 -5.0912000000e-03 -1.2770000000e-03 -2.2366000000e-03  3.9261000000e-03 -1.2346000000e-03 -3.8739000000e-03  4.7643000000e-03 -3.3933000000e-03  1.0811600000e-02 -2.6397000000e-03  5.4289000000e-03 -9.3517000000e-03 -1.2322000000e-03 -2.3980000000e-03  1.2503000000e-03
-
-JOB 555
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9542100000e-01 -7.8635200000e-01  5.0960000000e-01 -2.7205000000e-01  7.2466100000e-01  5.6310500000e-01 -6.7814600000e-01  2.2577970000e+00  1.4717440000e+00 -6.0206600000e-01  2.1198270000e+00  2.4158880000e+00 -3.4741500000e-01  3.1450190000e+00  1.3314400000e+00
-ENERGY -1.526604377634e+02
-FORCES -3.8989000000e-03  9.1067000000e-03  6.9303000000e-03  3.8420000000e-04  3.3970000000e-03 -1.5370000000e-04  2.1263000000e-03 -9.8293000000e-03 -3.3201000000e-03  3.4182000000e-03  1.0501000000e-03 -8.4420000000e-04  2.9000000000e-06  8.4900000000e-05 -5.1523000000e-03 -2.0329000000e-03 -3.8094000000e-03  2.5400000000e-03
-
-JOB 556
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0326700000e-01 -4.2463500000e-01  8.0246200000e-01 -8.0273700000e-01  2.5718900000e-01 -4.5354000000e-01  1.9186650000e+00  1.7903070000e+00  3.1903900000e-01  1.2348410000e+00  1.1340580000e+00  4.5303000000e-01  2.2519930000e+00  1.6134060000e+00 -5.6063700000e-01
-ENERGY -1.526580389688e+02
-FORCES  2.3298000000e-03  7.1613000000e-03 -2.9290000000e-04  2.3683000000e-03  4.4471000000e-03 -3.9272000000e-03  3.6525000000e-03 -2.7095000000e-03  2.7452000000e-03 -1.2852200000e-02 -1.3907300000e-02 -5.6271000000e-03  4.9509000000e-03  3.5435000000e-03  5.4534000000e-03 -4.4920000000e-04  1.4649000000e-03  1.6485000000e-03
-
-JOB 557
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7137900000e-01  5.5628300000e-01  7.5987600000e-01 -8.3397200000e-01 -4.3810200000e-01 -1.6967600000e-01  2.0126890000e+00 -2.2524910000e+00  6.6691100000e-01  1.1847170000e+00 -1.7998320000e+00  8.2751600000e-01  1.9198910000e+00 -3.0904990000e+00  1.1200810000e+00
-ENERGY -1.526574275308e+02
-FORCES -4.9291000000e-03  4.3575000000e-03 -6.3030000000e-04  1.0075000000e-03 -4.0514000000e-03 -3.1793000000e-03  4.8718000000e-03  9.0490000000e-04  2.1548000000e-03 -4.7618000000e-03  2.3690000000e-03  4.1280000000e-04  4.4835000000e-03 -7.2420000000e-03  3.0507000000e-03 -6.7180000000e-04  3.6621000000e-03 -1.8087000000e-03
-
-JOB 558
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0788200000e-01 -1.4475900000e-01  2.6650800000e-01  5.1931400000e-01 -2.8785700000e-01  7.5078800000e-01 -2.6062960000e+00  2.4856000000e-02  9.4935800000e-01 -2.6270960000e+00  1.9221700000e-01  1.8915830000e+00 -3.4963930000e+00 -2.5490500000e-01  7.3559900000e-01
-ENERGY -1.526600850805e+02
-FORCES -1.0685100000e-02 -1.2768000000e-03  4.9247000000e-03  9.1711000000e-03 -2.3400000000e-04 -1.7240000000e-03 -2.3870000000e-03  1.2106000000e-03 -1.3849000000e-03  4.3100000000e-04  1.0340000000e-04  2.0260000000e-04 -2.2750000000e-04 -1.7231000000e-03 -4.6299000000e-03  3.6974000000e-03  1.9199000000e-03  2.6115000000e-03
-
-JOB 559
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3688200000e-01 -5.6240700000e-01  6.3958200000e-01 -8.7633000000e-01 -3.7444400000e-01 -8.9829000000e-02  9.4086000000e-01 -1.6223120000e+00  2.2611220000e+00  1.8223720000e+00 -1.2551450000e+00  2.3271360000e+00  1.0243580000e+00 -2.5107070000e+00  2.6075520000e+00
-ENERGY -1.526600767953e+02
-FORCES -1.2160000000e-03 -7.5874000000e-03  7.3361000000e-03  1.3120000000e-03  6.5768000000e-03 -5.9375000000e-03  2.2315000000e-03  1.4081000000e-03 -5.9800000000e-04  2.5566000000e-03 -3.0091000000e-03  2.0839000000e-03 -5.2173000000e-03 -1.8706000000e-03 -2.2418000000e-03  3.3300000000e-04  4.4823000000e-03 -6.4280000000e-04
-
-JOB 560
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4204000000e-02 -2.4381300000e-01 -9.2404000000e-01  5.9980700000e-01 -6.4048800000e-01  3.8241100000e-01 -8.5437600000e-01  2.5528920000e+00  7.0193800000e-01 -7.2284300000e-01  2.3972880000e+00  1.6372010000e+00 -8.1563800000e-01  1.6822700000e+00  3.0602400000e-01
-ENERGY -1.526586548259e+02
-FORCES  2.3742000000e-03  1.6203000000e-03  1.2891000000e-03  8.2300000000e-05  1.6633000000e-03  4.9143000000e-03 -2.6431000000e-03  1.9758000000e-03 -2.9197000000e-03  4.8970000000e-03 -1.2841800000e-02  6.0620000000e-04 -3.3690000000e-04  1.3424000000e-03 -1.9083000000e-03 -4.3735000000e-03  6.2401000000e-03 -1.9816000000e-03
-
-JOB 561
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4492600000e-01 -5.1960000000e-02  5.9884700000e-01 -3.0876000000e-01  9.0260200000e-01  7.8796000000e-02 -2.0900250000e+00  4.8942900000e-01 -2.6017470000e+00 -2.1657720000e+00  1.4201120000e+00 -2.8122820000e+00 -2.8155030000e+00  3.1948200000e-01 -2.0008880000e+00
-ENERGY -1.526527480617e+02
-FORCES  1.5701000000e-03  3.9645000000e-03  1.3998000000e-03 -3.1704000000e-03  1.2300000000e-04 -2.8870000000e-03  1.1497000000e-03 -3.3994000000e-03  1.1030000000e-03 -3.2032000000e-03  1.4565000000e-03  1.4372000000e-03  8.6120000000e-04 -3.6707000000e-03  1.6116000000e-03  2.7925000000e-03  1.5262000000e-03 -2.6647000000e-03
-
-JOB 562
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1420000000e-02  8.2763800000e-01 -4.7393800000e-01 -8.8967000000e-01 -2.9829200000e-01 -1.8905300000e-01 -1.3764000000e-02  2.3356560000e+00 -1.8212560000e+00 -2.9464200000e-01  2.1831590000e+00 -2.7235220000e+00 -8.1368900000e-01  2.5885290000e+00 -1.3603790000e+00
-ENERGY -1.526586249883e+02
-FORCES -8.9370000000e-04  5.9674000000e-03 -7.5336000000e-03 -3.3758000000e-03 -4.9998000000e-03  7.9560000000e-03  2.4850000000e-03  1.6719000000e-03  5.0180000000e-04 -3.4334000000e-03  1.0011000000e-03 -4.6894000000e-03  4.5770000000e-04  1.3753000000e-03  4.7335000000e-03  4.7602000000e-03 -5.0160000000e-03 -9.6840000000e-04
-
-JOB 563
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8518100000e-01  7.2698200000e-01 -3.9029200000e-01 -4.1122300000e-01 -4.4073200000e-01 -7.4356100000e-01 -4.8425700000e-01 -2.5241950000e+00  2.0651210000e+00 -8.8763000000e-02 -2.9452120000e+00  2.8283780000e+00 -8.5335200000e-01 -3.2465340000e+00  1.5569600000e+00
-ENERGY -1.526512989367e+02
-FORCES -1.1480000000e-04  7.9500000000e-05 -4.2869000000e-03 -1.8604000000e-03 -3.1706000000e-03  2.2227000000e-03  1.5652000000e-03  1.8634000000e-03  2.6716000000e-03  7.2390000000e-04 -4.0823000000e-03  1.0238000000e-03 -1.6623000000e-03  1.9715000000e-03 -3.1669000000e-03  1.3484000000e-03  3.3385000000e-03  1.5357000000e-03
-
-JOB 564
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7747000000e-01 -2.1142200000e-01  9.1653500000e-01 -3.6605200000e-01 -8.0537100000e-01 -3.6553500000e-01 -1.2016400000e+00  2.2934910000e+00 -3.4468900000e-01 -2.1349320000e+00  2.2647520000e+00 -5.5533700000e-01 -1.0005360000e+00  1.4138920000e+00 -2.5167000000e-02
-ENERGY -1.526568471245e+02
-FORCES -2.7005000000e-03  3.5710000000e-03 -1.9383000000e-03 -3.1201000000e-03  2.3134000000e-03 -5.4303000000e-03  1.2565000000e-03  4.6718000000e-03  2.9103000000e-03  7.1912000000e-03 -1.5798000000e-02  1.6163000000e-03  3.3751000000e-03 -2.5189000000e-03  6.2220000000e-04 -6.0021000000e-03  7.7608000000e-03  2.2198000000e-03
-
-JOB 565
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5507000000e-02 -9.5431700000e-01  4.9286000000e-02  9.0621800000e-01  1.7489500000e-01 -2.5379600000e-01 -4.9496800000e-01  1.5120930000e+00 -2.4688790000e+00 -4.0433800000e-01  9.7426500000e-01 -1.6822680000e+00 -1.3508090000e+00  1.9306250000e+00 -2.3761430000e+00
-ENERGY -1.526608977120e+02
-FORCES  3.6606000000e-03 -4.4297000000e-03  1.3361000000e-03  8.6430000000e-04  4.8326000000e-03 -1.2000000000e-04 -7.0629000000e-03 -4.2340000000e-04 -1.3142000000e-03 -3.2937000000e-03 -3.7555000000e-03  8.7727000000e-03  3.3358000000e-03  5.2004000000e-03 -8.2075000000e-03  2.4960000000e-03 -1.4243000000e-03 -4.6710000000e-04
-
-JOB 566
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4230100000e-01 -1.7759400000e-01 -7.6850600000e-01  3.0204300000e-01 -8.6240300000e-01  2.8506600000e-01  7.1276400000e-01  2.7222350000e+00 -6.7060000000e-03  5.8538100000e-01  1.7759750000e+00  6.1102000000e-02  1.2159030000e+00  2.8395220000e+00 -8.1251400000e-01
-ENERGY -1.526610470500e+02
-FORCES -3.5980000000e-04 -8.7990000000e-04 -8.7260000000e-04  3.5539000000e-03  1.8000000000e-06  3.6402000000e-03 -2.4225000000e-03  3.3200000000e-03 -2.5428000000e-03 -4.5220000000e-04 -1.0988800000e-02 -9.7700000000e-04  1.6074000000e-03  9.4371000000e-03 -1.2189000000e-03 -1.9267000000e-03 -8.9010000000e-04  1.9712000000e-03
-
-JOB 567
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7683400000e-01  7.4538500000e-01 -3.6505100000e-01 -6.1974500000e-01 -7.2793300000e-01 -4.7554000000e-02 -1.5496680000e+00 -2.1839930000e+00 -6.6756200000e-01 -1.6235620000e+00 -2.3214530000e+00 -1.6119540000e+00 -2.4485830000e+00 -2.2472140000e+00 -3.4478300000e-01
-ENERGY -1.526600000825e+02
-FORCES -8.9870000000e-03 -9.3613000000e-03 -4.0535000000e-03  8.1900000000e-04 -2.6431000000e-03  6.3510000000e-04  4.1820000000e-03  8.2480000000e-03  4.0121000000e-03  5.4240000000e-04  1.6809000000e-03 -3.4258000000e-03 -1.3779000000e-03  3.4220000000e-04  4.9842000000e-03  4.8215000000e-03  1.7333000000e-03 -2.1522000000e-03
-
-JOB 568
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2681000000e-01 -7.9799000000e-02 -2.2558200000e-01  4.6386200000e-01 -3.0973400000e-01 -7.7790000000e-01 -2.8156180000e+00  1.3152500000e-01 -3.9171800000e-01 -3.3443400000e+00  8.9151800000e-01 -1.4862200000e-01 -3.4466800000e+00 -4.9842300000e-01 -7.3979500000e-01
-ENERGY -1.526613269683e+02
-FORCES -9.1600000000e-03 -1.7930000000e-04 -3.4830000000e-03  9.9070000000e-03 -1.2404000000e-03  6.9820000000e-04 -2.2798000000e-03  5.8360000000e-04  2.0518000000e-03 -1.5431000000e-03  1.6558000000e-03  1.0686000000e-03  6.8210000000e-04 -4.4479000000e-03 -1.7722000000e-03  2.3938000000e-03  3.6282000000e-03  1.4366000000e-03
-
-JOB 569
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9312900000e-01 -3.3053700000e-01 -9.6429000000e-02  4.9535300000e-01 -7.4364400000e-01  3.4329400000e-01  1.0452460000e+00  2.5134320000e+00  4.3454000000e-02  7.0152600000e-01  1.6293270000e+00 -8.4789000000e-02  1.9957450000e+00  2.4105180000e+00 -3.3520000000e-03
-ENERGY -1.526598926184e+02
-FORCES  4.0880000000e-04  3.5774000000e-03  1.5298000000e-03  4.8342000000e-03 -3.1970000000e-04  1.1148000000e-03 -3.0537000000e-03  2.9968000000e-03 -2.0134000000e-03 -3.8165000000e-03 -1.2896600000e-02 -7.1820000000e-04  4.4328000000e-03  7.7305000000e-03 -4.0510000000e-04 -2.8057000000e-03 -1.0884000000e-03  4.9220000000e-04
-
-JOB 570
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2306100000e-01  6.2037000000e-01  3.7837500000e-01  4.6200300000e-01 -3.6622100000e-01  7.5410000000e-01 -1.7589480000e+00 -2.7329950000e+00 -1.2982430000e+00 -1.2649340000e+00 -2.8017980000e+00 -2.1152180000e+00 -1.1455220000e+00 -3.0203120000e+00 -6.2193700000e-01
-ENERGY -1.526536202354e+02
-FORCES -2.3291000000e-03  1.6070000000e-03  4.2168000000e-03  3.2066000000e-03 -2.1311000000e-03 -1.2291000000e-03 -1.9403000000e-03  4.7620000000e-04 -3.4456000000e-03  6.2006000000e-03  1.3470000000e-03 -1.9440000000e-04 -2.3712000000e-03 -7.0850000000e-04  2.7872000000e-03 -2.7667000000e-03 -5.9050000000e-04 -2.1349000000e-03
-
-JOB 571
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0080300000e-01 -8.9392000000e-01  2.7715700000e-01 -1.6999200000e-01  3.1040000000e-03 -9.4197900000e-01 -4.2205700000e-01 -2.5444630000e+00  7.2118400000e-01 -8.5521900000e-01 -3.3685780000e+00  4.9883800000e-01  1.8458000000e-01 -2.7744570000e+00  1.4249770000e+00
-ENERGY -1.526593428128e+02
-FORCES -3.7513000000e-03 -1.5104700000e-02  6.4340000000e-04  3.4264000000e-03  6.9500000000e-03  1.0182000000e-03  4.8300000000e-05 -3.2860000000e-04  2.3127000000e-03  6.9920000000e-04  5.1841000000e-03 -2.3219000000e-03  3.3732000000e-03  2.6506000000e-03  2.3035000000e-03 -3.7957000000e-03  6.4860000000e-04 -3.9559000000e-03
-
-JOB 572
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3777800000e-01 -3.5303000000e-01 -4.9727700000e-01  5.0622700000e-01  4.9745400000e-01 -6.4226500000e-01  1.9024730000e+00  1.5378330000e+00 -1.3443570000e+00  2.3802890000e+00  1.0508550000e+00 -2.0157560000e+00  1.5650400000e+00  2.3083260000e+00 -1.8012060000e+00
-ENERGY -1.526601446933e+02
-FORCES  6.8949000000e-03  6.0848000000e-03 -6.3291000000e-03  3.3501000000e-03  2.0971000000e-03  1.9180000000e-04 -9.0049000000e-03 -6.5728000000e-03  3.1850000000e-03  1.6711000000e-03  1.0369000000e-03 -2.1064000000e-03 -3.8804000000e-03  2.5880000000e-03  3.1485000000e-03  9.6910000000e-04 -5.2340000000e-03  1.9103000000e-03
-
-JOB 573
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2388000000e-02  8.8112100000e-01  3.6478700000e-01  2.6165000000e-01  1.4048500000e-01 -9.0996400000e-01  1.1397720000e+00 -2.3860880000e+00  9.2931200000e-01  1.7501210000e+00 -2.7451180000e+00  2.8526000000e-01  1.0105290000e+00 -1.4775720000e+00  6.5704700000e-01
-ENERGY -1.526593550955e+02
-FORCES -6.1480000000e-04  2.0933000000e-03 -9.9030000000e-04  4.4610000000e-04 -4.2793000000e-03 -2.7381000000e-03  1.5800000000e-05 -1.1316000000e-03  5.3537000000e-03 -3.4324000000e-03  9.2797000000e-03 -4.2968000000e-03 -2.4071000000e-03  2.3386000000e-03  1.0562000000e-03  5.9924000000e-03 -8.3007000000e-03  1.6153000000e-03
-
-JOB 574
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1513600000e-01 -2.2999900000e-01 -8.7408300000e-01  4.7149800000e-01  8.2374800000e-01 -1.2393800000e-01 -1.2073300000e+00 -1.5717630000e+00 -2.1533780000e+00 -9.7348200000e-01 -2.4873400000e+00 -2.3059080000e+00 -2.1542130000e+00 -1.5859400000e+00 -2.0139360000e+00
-ENERGY -1.526611179204e+02
-FORCES -1.5872000000e-03 -2.2876000000e-03 -7.0347000000e-03  3.0896000000e-03  6.9788000000e-03  7.1460000000e-03 -1.9122000000e-03 -3.1128000000e-03 -6.4260000000e-04 -1.7358000000e-03 -5.1482000000e-03  1.5711000000e-03 -2.3947000000e-03  3.6752000000e-03 -1.1520000000e-04  4.5404000000e-03 -1.0540000000e-04 -9.2470000000e-04
-
-JOB 575
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3290800000e-01 -2.9152500000e-01 -6.5625700000e-01 -2.5402500000e-01 -4.6068100000e-01  7.9967300000e-01 -3.6498200000e-01  2.6361310000e+00  5.3582900000e-01 -3.8939200000e-01  3.1912720000e+00 -2.4356400000e-01  1.6373000000e-02  1.8124500000e+00  2.3193700000e-01
-ENERGY -1.526599437503e+02
-FORCES -6.2977000000e-03  3.3447000000e-03  2.9669000000e-03  3.0875000000e-03  1.1651000000e-03  3.2302000000e-03  9.6790000000e-04  1.4588000000e-03 -4.7074000000e-03  3.0450000000e-03 -1.2763300000e-02 -4.4095000000e-03 -1.1720000000e-04 -3.4687000000e-03  1.3739000000e-03 -6.8540000000e-04  1.0263300000e-02  1.5458000000e-03
-
-JOB 576
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7167200000e-01 -8.6429600000e-01  3.0889900000e-01 -5.1429600000e-01 -1.7735300000e-01 -7.8757700000e-01 -1.8173950000e+00  1.1995670000e+00  1.5866630000e+00 -2.1764490000e+00  2.0061040000e+00  1.2167840000e+00 -1.0585940000e+00  1.0009460000e+00  1.0380270000e+00
-ENERGY -1.526598611524e+02
-FORCES -6.4236000000e-03 -2.7012000000e-03  3.4659000000e-03 -1.3752000000e-03  3.7765000000e-03 -2.9183000000e-03  2.5586000000e-03  1.2601000000e-03  4.1792000000e-03  1.0842700000e-02 -4.8150000000e-03 -8.2593000000e-03  2.1080000000e-03 -3.3563000000e-03 -8.9400000000e-04 -7.7106000000e-03  5.8359000000e-03  4.4264000000e-03
-
-JOB 577
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6452000000e-02  5.9835800000e-01 -7.4694600000e-01 -5.3457600000e-01  4.4861500000e-01  6.5513800000e-01  3.5331100000e-01  1.0099650000e+00 -2.5582930000e+00  7.3309100000e-01  1.3134100000e-01 -2.5626800000e+00  1.1086390000e+00  1.5979220000e+00 -2.5624130000e+00
-ENERGY -1.526606755958e+02
-FORCES -1.6757000000e-03  6.7468000000e-03 -8.8683000000e-03  1.9537000000e-03 -6.2272000000e-03  8.8375000000e-03  1.8296000000e-03 -4.0800000000e-05 -3.1878000000e-03  4.6640000000e-03 -3.4983000000e-03 -9.1310000000e-04 -2.5798000000e-03  6.3045000000e-03  2.5250000000e-03 -4.1916000000e-03 -3.2850000000e-03  1.6067000000e-03
-
-JOB 578
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4287000000e-01  4.5193000000e-02 -9.2477200000e-01  9.2368300000e-01 -2.5099600000e-01 -6.4480000000e-03 -1.7795290000e+00 -7.4986900000e-01  2.2080230000e+00 -1.4215280000e+00 -3.0214800000e-01  1.4414640000e+00 -1.5503430000e+00 -1.6699900000e+00  2.0773180000e+00
-ENERGY -1.526603735131e+02
-FORCES  3.6135000000e-03 -1.0162000000e-03 -1.5339000000e-03  1.3443000000e-03 -7.0130000000e-04  4.5841000000e-03 -4.2537000000e-03  9.1700000000e-04 -1.5319000000e-03  6.9351000000e-03 -1.2680000000e-04 -8.2584000000e-03 -6.5934000000e-03 -1.0831000000e-03  5.4451000000e-03 -1.0458000000e-03  2.0104000000e-03  1.2950000000e-03
-
-JOB 579
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3813200000e-01  6.8339900000e-01 -2.0490300000e-01 -8.1117600000e-01  4.7524800000e-01  1.7990300000e-01  8.6221400000e-01 -1.2104180000e+00  2.4332970000e+00  1.3058110000e+00 -4.8192800000e-01  2.8677580000e+00  7.1672000000e-01 -9.0345200000e-01  1.5384030000e+00
-ENERGY -1.526601509346e+02
-FORCES -2.8222000000e-03  3.9201000000e-03  1.1741000000e-03 -2.8861000000e-03 -3.7872000000e-03  3.1138000000e-03  4.7833000000e-03 -1.3983000000e-03 -1.4964000000e-03 -2.5142000000e-03  6.3883000000e-03 -9.5872000000e-03 -1.4820000000e-03 -1.6005000000e-03 -1.9501000000e-03  4.9211000000e-03 -3.5224000000e-03  8.7457000000e-03
-
-JOB 580
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7608700000e-01  3.3815900000e-01 -6.8556900000e-01 -6.9737000000e-02 -9.5164800000e-01 -7.5729000000e-02 -2.1706380000e+00  2.4680500000e-01 -1.5850920000e+00 -2.5450470000e+00 -5.9760900000e-01 -1.3340660000e+00 -1.9088290000e+00  1.3122400000e-01 -2.4985080000e+00
-ENERGY -1.526565925153e+02
-FORCES -1.4167700000e-02  4.2400000000e-05 -1.0298100000e-02  8.5631000000e-03 -5.2000000000e-04  2.3344000000e-03 -5.4740000000e-04  1.9864000000e-03  1.9510000000e-04  1.8342000000e-03 -5.1916000000e-03  3.2862000000e-03  3.2689000000e-03  3.6889000000e-03 -2.0936000000e-03  1.0489000000e-03 -6.1000000000e-06  6.5761000000e-03
-
-JOB 581
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6013900000e-01 -7.6797500000e-01  4.4356100000e-01  8.2740000000e-01  1.7096400000e-01  4.4990200000e-01  2.5250100000e+00  3.9797900000e-01  1.0973800000e+00  2.7820360000e+00 -4.7961500000e-01  8.1454200000e-01  2.1852700000e+00  2.7458100000e-01  1.9837100000e+00
-ENERGY -1.526572813851e+02
-FORCES  1.1635700000e-02  2.2508000000e-03  5.4463000000e-03  3.3840000000e-03  2.5378000000e-03 -3.2730000000e-04 -9.6941000000e-03 -5.6207000000e-03 -4.1950000000e-04  1.2187000000e-03 -3.6784000000e-03  1.2269000000e-03 -4.6605000000e-03  4.9313000000e-03  1.7214000000e-03 -1.8839000000e-03 -4.2070000000e-04 -7.6479000000e-03
-
-JOB 582
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7130500000e-01 -4.6511600000e-01  3.2401700000e-01  6.0174500000e-01  1.4491000000e-02  7.4426200000e-01  1.5921080000e+00 -3.1776600000e-01  2.5500090000e+00  1.7212390000e+00  5.6839900000e-01  2.8880450000e+00  1.2434170000e+00 -8.0974600000e-01  3.2933810000e+00
-ENERGY -1.526604389430e+02
-FORCES  2.7863000000e-03 -3.5119000000e-03  8.8460000000e-03  1.7670000000e-03  1.4358000000e-03 -1.3073000000e-03 -4.3094000000e-03  3.6818000000e-03 -7.7735000000e-03 -3.3450000000e-04  2.9200000000e-05  5.7959000000e-03 -1.5972000000e-03 -4.5500000000e-03 -2.4795000000e-03  1.6878000000e-03  2.9151000000e-03 -3.0817000000e-03
-
-JOB 583
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4120400000e-01  8.6549400000e-01  3.8368500000e-01 -1.5730000000e-03 -5.9689000000e-01  7.4829900000e-01  2.5468100000e-01 -1.3346180000e+00  2.4354390000e+00  6.3108300000e-01 -2.0853020000e+00  2.8948150000e+00 -6.7402100000e-01 -1.3528470000e+00  2.6665460000e+00
-ENERGY -1.526595965683e+02
-FORCES  4.2983000000e-03 -3.7670000000e-03  1.1359000000e-02 -1.0986000000e-03 -2.1389000000e-03 -1.3077000000e-03 -5.9322000000e-03  3.9160000000e-03 -5.6363000000e-03  4.3170000000e-04 -2.3672000000e-03 -5.1400000000e-05 -3.0763000000e-03  3.8330000000e-03 -8.6290000000e-04  5.3771000000e-03  5.2410000000e-04 -3.5007000000e-03
-
-JOB 584
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8989300000e-01  5.2072700000e-01 -1.4541300000e-01 -1.2256200000e-01 -3.8470300000e-01  8.6787900000e-01 -4.8868000000e-01 -1.0465750000e+00  2.7457610000e+00 -4.6820000000e-03 -5.3519600000e-01  3.3941980000e+00  6.2735000000e-02 -1.8119910000e+00  2.5835520000e+00
-ENERGY -1.526610118430e+02
-FORCES -5.5946000000e-03 -1.1623000000e-03  8.8193000000e-03  2.6289000000e-03 -1.1949000000e-03  1.2230000000e-04  4.3715000000e-03  7.2670000000e-04 -9.2089000000e-03  3.3678000000e-03 -1.3798000000e-03  5.0854000000e-03 -2.2708000000e-03 -2.9032000000e-03 -3.5822000000e-03 -2.5028000000e-03  5.9135000000e-03 -1.2358000000e-03
-
-JOB 585
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4467700000e-01  1.2256300000e-01 -9.3788000000e-02  2.9010600000e-01  7.5429400000e-01  5.1294300000e-01  1.3016670000e+00 -1.3857150000e+00 -1.8375980000e+00  7.8211000000e-01 -9.7022300000e-01 -1.1493690000e+00  1.7297980000e+00 -2.1232640000e+00 -1.4029050000e+00
-ENERGY -1.526596228752e+02
-FORCES  5.1511000000e-03 -1.5038000000e-03 -6.1549000000e-03  5.2072000000e-03  2.0160000000e-04  9.7130000000e-04 -3.7241000000e-03 -3.2308000000e-03 -1.5805000000e-03 -7.0670000000e-03  7.7263000000e-03  1.2661000000e-02  1.9631000000e-03 -5.8703000000e-03 -5.8820000000e-03 -1.5303000000e-03  2.6771000000e-03 -1.4900000000e-05
-
-JOB 586
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6128800000e-01 -6.9194800000e-01 -5.5399500000e-01 -1.5358000000e-01 -3.0402800000e-01  8.9454600000e-01 -1.2530390000e+00 -1.6620680000e+00  3.1277210000e+00 -1.8412310000e+00 -1.8142290000e+00  2.3880530000e+00 -5.1418500000e-01 -2.2502840000e+00  2.9717480000e+00
-ENERGY -1.526552847918e+02
-FORCES -1.9460000000e-03 -2.9689000000e-03  2.3263000000e-03  1.1688000000e-03  2.3641000000e-03  2.7828000000e-03  1.1283000000e-03  4.3630000000e-04 -6.3290000000e-03 -1.1612000000e-03 -5.1804000000e-03 -7.0870000000e-04  4.1250000000e-03  1.5563000000e-03  2.3609000000e-03 -3.3149000000e-03  3.7926000000e-03 -4.3220000000e-04
-
-JOB 587
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7883000000e-01 -4.8388900000e-01 -8.0629000000e-01 -5.2705500000e-01 -4.4087400000e-01  6.6638900000e-01 -1.7572510000e+00 -1.9000600000e-01  2.3098540000e+00 -2.4900130000e+00 -8.0587200000e-01  2.3097760000e+00 -1.3591140000e+00 -2.9082500000e-01  3.1744660000e+00
-ENERGY -1.526592325025e+02
-FORCES -6.0601000000e-03 -1.8817000000e-03  5.1989000000e-03 -4.5830000000e-04  1.2042000000e-03  3.4651000000e-03  6.0961000000e-03 -1.5283000000e-03 -8.2344000000e-03 -1.7534000000e-03 -1.4330000000e-04  4.8992000000e-03  4.5644000000e-03  2.4448000000e-03 -8.7340000000e-04 -2.3887000000e-03 -9.5800000000e-05 -4.4553000000e-03
-
-JOB 588
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2438600000e-01 -8.0076700000e-01 -4.7610000000e-03 -5.3684000000e-01 -5.9984000000e-02 -7.9021300000e-01  1.9061180000e+00 -2.2771550000e+00  2.7032000000e-02  2.3740140000e+00 -1.4698180000e+00  2.4036800000e-01  1.7665750000e+00 -2.7041670000e+00  8.7226600000e-01
-ENERGY -1.526599349377e+02
-FORCES  1.9860000000e-03 -8.5762000000e-03 -3.8958000000e-03 -1.1755000000e-03  9.5820000000e-03  2.6629000000e-03  1.7120000000e-03  2.0230000000e-04  2.6728000000e-03  4.6524000000e-03 -1.0182000000e-03  4.6123000000e-03 -7.3058000000e-03 -3.3073000000e-03 -1.5216000000e-03  1.3100000000e-04  3.1173000000e-03 -4.5306000000e-03
-
-JOB 589
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6937200000e-01 -2.0291100000e-01  3.4532800000e-01 -5.1524700000e-01 -7.8892500000e-01  1.6837300000e-01 -9.8202900000e-01  2.4085420000e+00 -4.0606200000e-01 -5.9143600000e-01  1.5588410000e+00 -2.0191300000e-01 -8.7157600000e-01  2.9219400000e+00  3.9422200000e-01
-ENERGY -1.526591684113e+02
-FORCES -3.8876000000e-03  6.9577000000e-03 -5.5350000000e-04 -5.1421000000e-03  3.1000000000e-06 -9.1310000000e-04  4.4484000000e-03  3.0234000000e-03 -1.2020000000e-04  6.3906000000e-03 -1.5256000000e-02  4.1906000000e-03 -2.4976000000e-03  7.8992000000e-03 -9.5910000000e-04  6.8830000000e-04 -2.6274000000e-03 -1.6447000000e-03
-
-JOB 590
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4054000000e-01  6.7206200000e-01  2.3296600000e-01 -1.3607200000e-01 -4.9266400000e-01  8.0932000000e-01  3.7877800000e-01 -1.6685240000e+00  2.5207200000e+00  1.1740960000e+00 -1.5476210000e+00  3.0394520000e+00 -3.0062700000e-01 -1.2065560000e+00  3.0118680000e+00
-ENERGY -1.526582822050e+02
-FORCES  4.2293000000e-03 -3.6869000000e-03  7.5672000000e-03 -2.1544000000e-03 -1.6630000000e-03 -8.7640000000e-04 -4.4960000000e-03  6.1811000000e-03 -4.9052000000e-03  2.9885000000e-03  1.4100000000e-05  5.4907000000e-03 -4.2640000000e-03 -2.9400000000e-04 -1.9028000000e-03  3.6966000000e-03 -5.5130000000e-04 -5.3735000000e-03
-
-JOB 591
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3987000000e-01  3.7544600000e-01 -4.7735100000e-01 -6.2765000000e-02  5.2572300000e-01  7.9743800000e-01  3.8613920000e+00 -1.5468250000e+00  2.8173040000e+00  3.8338350000e+00 -2.2240110000e+00  2.1413660000e+00  3.2103920000e+00 -1.8244180000e+00  3.4617980000e+00
-ENERGY -1.526548349710e+02
-FORCES  3.1031000000e-03  3.9875000000e-03  1.4168000000e-03 -3.1989000000e-03 -1.6245000000e-03  1.6889000000e-03 -7.4500000000e-05 -2.2285000000e-03 -3.2228000000e-03 -2.9289000000e-03 -4.2947000000e-03 -2.1360000000e-04  3.8410000000e-04  2.8434000000e-03  2.8058000000e-03  2.7151000000e-03  1.3169000000e-03 -2.4752000000e-03
-
-JOB 592
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1924500000e-01  6.3030000000e-01  4.9933800000e-01 -1.8811600000e-01  4.4510700000e-01 -8.2627100000e-01  1.3071340000e+00 -2.7677960000e+00 -2.2726000000e-02  1.5421550000e+00 -2.5009320000e+00 -9.1142200000e-01  6.7648200000e-01 -2.1085540000e+00  2.6694300000e-01
-ENERGY -1.526597843995e+02
-FORCES  1.4554000000e-03  4.9267000000e-03 -1.5286000000e-03 -2.5957000000e-03 -2.7505000000e-03 -2.7413000000e-03  1.5160000000e-03 -1.7172000000e-03  3.7154000000e-03 -3.9411000000e-03  8.7333000000e-03 -2.6986000000e-03  2.2080000000e-04 -2.0211000000e-03  1.9427000000e-03  3.3447000000e-03 -7.1712000000e-03  1.3105000000e-03
-
-JOB 593
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7861400000e-01 -7.8574900000e-01  2.6411800000e-01  1.9223400000e-01 -1.3657300000e-01 -9.2769900000e-01 -1.6080990000e+00 -2.0856700000e+00  4.9093900000e-01 -1.1465700000e+00 -2.7945450000e+00  9.3895600000e-01 -2.4071270000e+00 -1.9585650000e+00  1.0024380000e+00
-ENERGY -1.526598766564e+02
-FORCES -1.0902800000e-02 -1.3311200000e-02  4.3180000000e-04  7.9223000000e-03  5.4927000000e-03 -1.6540000000e-04 -4.9550000000e-04 -2.4100000000e-04  2.5372000000e-03  8.4500000000e-04  4.8604000000e-03  1.4903000000e-03 -1.9074000000e-03  5.3280000000e-03 -2.2059000000e-03  4.5385000000e-03 -2.1290000000e-03 -2.0880000000e-03
-
-JOB 594
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8071600000e-01 -3.5724200000e-01 -1.1379700000e-01  1.3960300000e-01  9.2945900000e-01  1.8124200000e-01  3.0212480000e+00 -5.4869300000e-01  1.8210700000e-01  2.9031230000e+00 -1.4655900000e+00 -6.6040000000e-02  3.0287920000e+00 -5.5816200000e-01  1.1392300000e+00
-ENERGY -1.526592453092e+02
-FORCES  9.6003000000e-03  3.0881000000e-03 -4.5720000000e-04 -8.2688000000e-03 -2.5312000000e-03  1.8980000000e-04 -1.6095000000e-03 -2.8042000000e-03  1.0480000000e-04  3.4614000000e-03 -3.8367000000e-03  4.2921000000e-03 -2.3603000000e-03  5.8694000000e-03  1.1478000000e-03 -8.2310000000e-04  2.1450000000e-04 -5.2773000000e-03
-
-JOB 595
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7101700000e-01  5.6653200000e-01 -2.8393000000e-02 -5.5698000000e-02 -3.7375100000e-01 -8.7945400000e-01 -1.7055620000e+00  1.8657000000e+00  8.1980300000e-01 -1.2732060000e+00  1.0761310000e+00  4.9441100000e-01 -2.3640800000e+00  1.5426040000e+00  1.4347790000e+00
-ENERGY -1.526605667863e+02
-FORCES -8.3760000000e-04  6.6678000000e-03 -6.3600000000e-05 -4.5085000000e-03 -3.6416000000e-03 -1.0181000000e-03  2.9570000000e-04  2.8047000000e-03  4.5540000000e-03  8.8489000000e-03 -1.3071700000e-02 -3.9368000000e-03 -6.3415000000e-03  8.0010000000e-03  2.8029000000e-03  2.5429000000e-03 -7.6020000000e-04 -2.3385000000e-03
-
-JOB 596
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7642600000e-01  2.9567500000e-01 -2.4634600000e-01 -1.0922400000e-01 -3.7125600000e-01  8.7548300000e-01 -2.2079040000e+00  1.0491760000e+00 -1.4632380000e+00 -3.0072000000e+00  6.9279100000e-01 -1.0754910000e+00 -2.0242530000e+00  4.7386000000e-01 -2.2058800000e+00
-ENERGY -1.526597231572e+02
-FORCES -8.1227000000e-03  4.7886000000e-03 -2.6187000000e-03  6.6100000000e-03 -7.2943000000e-03  5.8063000000e-03 -1.5590000000e-03  1.6377000000e-03 -3.4058000000e-03 -1.8740000000e-03 -2.3713000000e-03 -4.8412000000e-03  6.2441000000e-03  6.2540000000e-04 -1.7040000000e-04 -1.2984000000e-03  2.6140000000e-03  5.2298000000e-03
-
-JOB 597
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4698800000e-01 -4.8751400000e-01 -6.1592700000e-01  5.3293600000e-01  6.8311000000e-02  7.9217700000e-01  1.1784660000e+00  5.4291700000e-01  2.4048140000e+00  1.4079560000e+00  1.4558760000e+00  2.5782250000e+00  2.0166780000e+00  1.1268200000e-01  2.2359090000e+00
-ENERGY -1.526578727762e+02
-FORCES  5.3255000000e-03  2.4903000000e-03  1.1724800000e-02  7.7400000000e-05  1.8154000000e-03  4.1167000000e-03  5.0200000000e-04 -5.0328000000e-03 -1.0119400000e-02  6.7190000000e-04  4.0707000000e-03 -2.1185000000e-03  5.1000000000e-06 -5.3552000000e-03 -2.7440000000e-04 -6.5819000000e-03  2.0116000000e-03 -3.3291000000e-03
-
-JOB 598
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4092600000e-01 -1.1321600000e-01 -4.4301000000e-01 -2.4036000000e-02 -6.2562900000e-01  7.2404600000e-01 -1.9440980000e+00 -5.7554900000e-01 -1.6103540000e+00 -2.0538560000e+00 -1.5610600000e-01 -2.4637310000e+00 -2.8370920000e+00 -7.2940800000e-01 -1.3019390000e+00
-ENERGY -1.526572113844e+02
-FORCES -1.4290800000e-02 -5.8226000000e-03 -1.1936900000e-02  4.0871000000e-03  1.8154000000e-03  7.0645000000e-03 -1.9285000000e-03  1.3079000000e-03 -2.5590000000e-03  7.9054000000e-03  4.2381000000e-03  3.8716000000e-03 -1.3369000000e-03 -2.8421000000e-03  4.6160000000e-03  5.5638000000e-03  1.3033000000e-03 -1.0561000000e-03
-
-JOB 599
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4101900000e-01  7.6430300000e-01 -4.6452100000e-01  8.1226000000e-02  2.2630800000e-01  9.2650900000e-01  1.2107650000e+00 -1.8995200000e-01  2.8695840000e+00  9.1800200000e-01  7.2134200000e-01  2.8775920000e+00  8.0866700000e-01 -5.7803500000e-01  3.6467200000e+00
-ENERGY -1.526547128022e+02
-FORCES  3.9985000000e-03  1.0447000000e-03  4.4412000000e-03 -1.2719000000e-03 -2.5757000000e-03  2.5737000000e-03 -3.2263000000e-03  4.3891000000e-03 -4.8787000000e-03 -8.3540000000e-04  2.5800000000e-04  5.9415000000e-03 -7.6990000000e-04 -5.3340000000e-03 -4.3579000000e-03  2.1051000000e-03  2.2180000000e-03 -3.7199000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1856400000e-01 -5.4827500000e-01 -3.1510500000e-01 -1.4940300000e-01  8.5124900000e-01 -4.1144300000e-01  2.8636750000e+00 -6.0440600000e-01 -1.0419900000e-01  1.9202500000e+00 -4.4352100000e-01 -8.6958000000e-02  3.2459590000e+00  1.6406300000e-01  3.1952900000e-01
-ENERGY -1.526614350957e+02
-FORCES -3.7915000000e-03  1.0180000000e-04 -2.9222000000e-03  2.8334000000e-03  3.6819000000e-03  1.2131000000e-03  1.1154000000e-03 -4.4156000000e-03  2.0520000000e-03 -9.0660000000e-03  3.3473000000e-03  2.4235000000e-03  1.0443000000e-02 -9.0990000000e-04 -1.0646000000e-03 -1.5343000000e-03 -1.8055000000e-03 -1.7018000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5893800000e-01  6.6404600000e-01  2.0267100000e-01  2.3939900000e-01 -7.4976100000e-01  5.4477400000e-01 -2.3679020000e+00  1.0451240000e+00  4.6087800000e-01 -1.5360050000e+00  5.7165300000e-01  4.6278800000e-01 -3.0336260000e+00  3.6035000000e-01  3.9662700000e-01
-ENERGY -1.526581312198e+02
-FORCES -3.7981000000e-03  4.6846000000e-03  2.0258000000e-03 -4.0396000000e-03 -4.5165000000e-03 -1.3260000000e-04 -3.1666000000e-03  5.0178000000e-03 -2.2122000000e-03  1.5996000000e-02 -8.9962000000e-03 -4.8005000000e-03 -8.4007000000e-03  3.2495000000e-03  4.7241000000e-03  3.4090000000e-03  5.6080000000e-04  3.9540000000e-04
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0997600000e-01 -4.5784200000e-01  2.2483400000e-01 -6.8720000000e-02 -8.6742000000e-02 -9.5078100000e-01 -1.6184490000e+00 -2.7405300000e+00 -7.8817200000e-01 -2.3586490000e+00 -3.3285850000e+00 -9.3826000000e-01 -1.9340600000e+00 -1.8812370000e+00 -1.0678780000e+00
-ENERGY -1.526545420964e+02
-FORCES  4.2793000000e-03 -4.5979000000e-03 -1.9954000000e-03 -2.4983000000e-03  3.2959000000e-03 -8.1060000000e-04 -1.8496000000e-03  5.3310000000e-04  3.5902000000e-03 -4.7381000000e-03  2.1225000000e-03 -1.0180000000e-04  3.1497000000e-03  2.6536000000e-03  8.7950000000e-04  1.6571000000e-03 -4.0072000000e-03 -1.5619000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8376900000e-01 -5.4636300000e-01  5.8527000000e-02 -3.1868100000e-01  8.4307000000e-01 -3.2234700000e-01 -2.2061440000e+00 -1.5497800000e+00 -3.2643600000e-01 -2.1080790000e+00 -2.4949280000e+00 -2.1106000000e-01 -2.9767680000e+00 -1.3231410000e+00  1.9414600000e-01
-ENERGY -1.526598912299e+02
-FORCES -1.3559100000e-02 -7.1431000000e-03 -3.7743000000e-03  7.4096000000e-03  5.5320000000e-03  3.3221000000e-03  1.0680000000e-04 -2.2806000000e-03  1.3397000000e-03  2.3597000000e-03 -5.7820000000e-04  1.4077000000e-03 -1.2839000000e-03  5.3581000000e-03  1.9220000000e-04  4.9668000000e-03 -8.8820000000e-04 -2.4873000000e-03
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4877800000e-01 -1.2630100000e-01  1.0000000000e-02 -3.3639600000e-01 -7.4737500000e-01 -4.9446900000e-01  2.5043890000e+00 -1.0136590000e+00 -2.6245900000e-01  3.3217750000e+00 -5.3200900000e-01 -1.3546800000e-01  2.6673030000e+00 -1.8708450000e+00  1.3114400000e-01
-ENERGY -1.526594164597e+02
-FORCES  1.3842400000e-02 -7.9935000000e-03 -3.7855000000e-03 -6.0217000000e-03  5.3458000000e-03  1.6820000000e-03 -1.9550000000e-04  1.4177000000e-03  1.8021000000e-03 -3.0440000000e-03 -4.9730000000e-04  2.6452000000e-03 -4.7402000000e-03 -2.6586000000e-03  2.0480000000e-04  1.5890000000e-04  4.3860000000e-03 -2.5486000000e-03
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7162700000e-01  5.5208600000e-01 -1.2659000000e-01  3.0499800000e-01 -7.1400300000e-01  5.5982800000e-01  1.9600810000e+00  1.8542810000e+00  1.1600900000e-01  1.8012660000e+00  2.7967690000e+00  6.3800000000e-02  2.8369480000e+00  1.7380400000e+00 -2.4981000000e-01
-ENERGY -1.526597494310e+02
-FORCES  1.1289600000e-02  9.1339000000e-03  2.5670000000e-03 -4.9410000000e-03 -7.5499000000e-03 -1.6857000000e-03  1.3070000000e-04  2.2034000000e-03 -1.8183000000e-03 -4.3910000000e-03  1.7680000000e-04 -8.5470000000e-04  2.9044000000e-03 -4.3771000000e-03 -6.5500000000e-05 -4.9927000000e-03  4.1280000000e-04  1.8572000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9503000000e-01 -5.3252000000e-01  2.4135000000e-02 -2.7642200000e-01  8.2608000000e-01 -3.9675500000e-01 -2.1327550000e+00 -1.7783120000e+00 -1.4810900000e-01 -2.0662000000e+00 -2.7215330000e+00  6.7300000000e-04 -2.9567310000e+00 -1.5270780000e+00  2.6923500000e-01
-ENERGY -1.526608209727e+02
-FORCES -9.9458000000e-03 -6.7807000000e-03 -2.3086000000e-03  6.3345000000e-03  8.0655000000e-03  1.4201000000e-03 -4.0090000000e-04 -2.7473000000e-03  1.4541000000e-03  1.5800000000e-03 -2.0147000000e-03  1.8492000000e-03 -2.2035000000e-03  4.5361000000e-03 -3.8290000000e-04  4.6357000000e-03 -1.0589000000e-03 -2.0319000000e-03
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3303500000e-01 -4.7119600000e-01  1.6065000000e-02 -6.4137100000e-01 -6.5570700000e-01 -2.7372000000e-01 -1.4117040000e+00 -2.2189820000e+00 -1.4127660000e+00 -2.2129290000e+00 -2.6937720000e+00 -1.1917570000e+00 -1.5668840000e+00 -1.8844570000e+00 -2.2960810000e+00
-ENERGY -1.526615183290e+02
-FORCES -1.9084000000e-03 -9.2519000000e-03 -3.3916000000e-03 -1.9448000000e-03  2.1645000000e-03  1.3340000000e-04  3.4268000000e-03  7.8448000000e-03  4.0047000000e-03 -3.5105000000e-03 -1.4591000000e-03 -3.9567000000e-03  3.7227000000e-03  2.6369000000e-03 -1.4923000000e-03  2.1410000000e-04 -1.9352000000e-03  4.7025000000e-03
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8991100000e-01 -6.5604300000e-01 -9.9309000000e-02 -3.7965100000e-01  8.0330700000e-01 -3.5608300000e-01 -1.0456560000e+00  2.1857720000e+00 -1.5706530000e+00 -1.1184200000e+00  3.0650580000e+00 -1.1994480000e+00 -7.0447400000e-01  2.3256620000e+00 -2.4539750000e+00
-ENERGY -1.526615748996e+02
-FORCES -6.2267000000e-03  6.2344000000e-03 -6.1684000000e-03  2.1140000000e-03  1.7842000000e-03  1.6650000000e-04  3.2835000000e-03 -6.4018000000e-03  6.9685000000e-03  2.3797000000e-03  2.0900000000e-03 -3.1250000000e-03  8.7900000000e-04 -4.5218000000e-03 -1.9387000000e-03 -2.4295000000e-03  8.1500000000e-04  4.0970000000e-03
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5260400000e-01  5.9048800000e-01  3.3810000000e-02  3.0205400000e-01 -7.9876800000e-01  4.3239500000e-01 -2.7163710000e+00  6.3547700000e-01  1.5130700000e-01 -1.8237990000e+00  3.3051800000e-01 -1.1630000000e-02 -3.2578800000e+00  1.2586300000e-01 -4.5143100000e-01
-ENERGY -1.526613152050e+02
-FORCES  3.4660000000e-04  2.0076000000e-03  2.4986000000e-03 -2.1446000000e-03 -4.2988000000e-03  3.3730000000e-04 -8.5050000000e-04  4.0906000000e-03 -2.3595000000e-03  1.0159800000e-02 -2.9326000000e-03 -2.3769000000e-03 -1.0290100000e-02  3.7830000000e-04  1.0770000000e-04  2.7788000000e-03  7.5490000000e-04  1.7928000000e-03
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8618800000e-01 -3.2882500000e-01 -1.5092400000e-01  2.1517000000e-02  8.4594500000e-01 -4.4737700000e-01  6.9209000000e-01  2.0295000000e-01  2.6677230000e+00 -5.2468000000e-02 -2.9572500000e-01  3.0041570000e+00  5.5993900000e-01  2.2143900000e-01  1.7198690000e+00
-ENERGY -1.526597510418e+02
-FORCES -3.0597000000e-03  1.1869000000e-03  1.9822000000e-03  4.3354000000e-03  2.2587000000e-03  6.7730000000e-04 -4.7710000000e-04 -4.5399000000e-03  3.3655000000e-03 -5.6241000000e-03 -3.3546000000e-03 -1.3699000000e-02  1.5488000000e-03  1.2620000000e-03 -9.0820000000e-04  3.2768000000e-03  3.1869000000e-03  8.5822000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0011000000e-01  6.5179500000e-01 -3.5230000000e-02  3.8500900000e-01 -7.4066600000e-01  4.6841600000e-01  9.9322700000e-01 -2.2009780000e+00  1.3292230000e+00  7.2042800000e-01 -3.0590040000e+00  1.0042560000e+00  8.2908000000e-01 -2.2379450000e+00  2.2715180000e+00
-ENERGY -1.526616828413e+02
-FORCES  6.9465000000e-03 -9.7629000000e-03  6.1763000000e-03 -1.5700000000e-03 -2.3914000000e-03  9.2060000000e-04 -3.8192000000e-03  8.6686000000e-03 -4.7539000000e-03 -3.6310000000e-03 -7.0100000000e-05 -2.4700000000e-04  1.2896000000e-03  4.0725000000e-03  2.9079000000e-03  7.8400000000e-04 -5.1670000000e-04 -5.0038000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5282200000e-01 -5.7194200000e-01  1.4957600000e-01  1.2752400000e-01 -1.4282000000e-02 -9.4856000000e-01 -1.0413460000e+00 -2.4104600000e-01  3.3903760000e+00 -1.8589410000e+00 -7.3806000000e-01  3.4177160000e+00 -1.3059480000e+00  6.4229500000e-01  3.1336160000e+00
-ENERGY -1.526541673968e+02
-FORCES -2.1006000000e-03 -3.4555000000e-03 -2.4055000000e-03  2.2634000000e-03  2.9080000000e-03 -2.0608000000e-03 -5.5090000000e-04  6.8100000000e-05  4.1504000000e-03 -3.2874000000e-03  2.9152000000e-03 -2.4710000000e-04  3.5255000000e-03  1.7451000000e-03 -1.1427000000e-03  1.4990000000e-04 -4.1808000000e-03  1.7056000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3386700000e-01  7.8491000000e-01  1.2301600000e-01  4.4778300000e-01 -6.7678800000e-01  5.0762200000e-01  1.6960160000e+00  1.0412560000e+00  3.2268290000e+00  1.7843320000e+00  1.9260020000e+00  3.5813110000e+00  1.7899470000e+00  1.1513420000e+00  2.2806320000e+00
-ENERGY -1.526525769696e+02
-FORCES  2.8687000000e-03 -4.6810000000e-04  2.8238000000e-03 -9.3270000000e-04 -3.0040000000e-03  7.1690000000e-04 -1.3543000000e-03  3.6809000000e-03 -2.8947000000e-03  5.8570000000e-04  4.9087000000e-03 -1.2627000000e-03 -2.8210000000e-04 -3.8955000000e-03 -1.6986000000e-03 -8.8540000000e-04 -1.2220000000e-03  2.3152000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2905500000e-01 -3.2948900000e-01  3.4689500000e-01 -2.1211200000e-01  3.0051100000e-01 -8.8370400000e-01  2.0538210000e+00 -1.4902700000e+00  5.3473800000e-01  1.3478750000e+00 -1.0426910000e+00  6.8322000000e-02  1.9505250000e+00 -1.2166520000e+00  1.4461630000e+00
-ENERGY -1.526567126166e+02
-FORCES  5.5742000000e-03 -7.0979000000e-03  2.5806000000e-03  4.4887000000e-03  2.4019000000e-03 -2.2054000000e-03  1.6358000000e-03 -3.4818000000e-03  4.8997000000e-03 -1.7116600000e-02  1.4368500000e-02 -1.6810000000e-03  5.0486000000e-03 -4.3538000000e-03 -2.5086000000e-03  3.6940000000e-04 -1.8369000000e-03 -1.0852000000e-03
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6762000000e-01  3.8657700000e-01 -1.1843100000e-01  5.6167300000e-01  7.3847900000e-01  2.3537800000e-01 -2.5740800000e+00  9.2136500000e-01  2.3434800000e-01 -3.2437230000e+00  2.4252500000e-01  1.5076300000e-01 -2.9264500000e+00  1.6671550000e+00 -2.5131200000e-01
-ENERGY -1.526602826509e+02
-FORCES -1.1959800000e-02  6.8028000000e-03  2.5435000000e-03  9.1786000000e-03 -3.1358000000e-03 -2.6231000000e-03 -2.2027000000e-03 -1.4351000000e-03 -1.0418000000e-03 -3.5900000000e-04 -2.4788000000e-03 -8.8720000000e-04  3.0472000000e-03  4.4638000000e-03 -3.0630000000e-04  2.2958000000e-03 -4.2169000000e-03  2.3149000000e-03
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1548200000e-01 -4.4760700000e-01  2.2554300000e-01 -1.2329000000e-01  2.8095600000e-01 -9.0669500000e-01  2.0754440000e+00 -1.7042370000e+00  4.4194000000e-01  1.3085440000e+00 -1.1933960000e+00  1.8283000000e-01  2.1338750000e+00 -1.5853580000e+00  1.3899300000e+00
-ENERGY -1.526600638710e+02
-FORCES  5.6790000000e-04 -1.9898000000e-03 -1.5294000000e-03  5.5235000000e-03  1.6171000000e-03 -1.4756000000e-03  2.9370000000e-04 -2.6398000000e-03  5.0656000000e-03 -1.1516500000e-02  1.1828000000e-02 -4.1100000000e-05  5.8559000000e-03 -8.0621000000e-03  2.7940000000e-04 -7.2450000000e-04 -7.5340000000e-04 -2.2989000000e-03
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7158200000e-01  1.4239400000e-01  6.6703300000e-01  9.9786000000e-02 -9.5110600000e-01 -4.0883000000e-02  2.0071870000e+00  1.7590400000e+00  1.7629000000e-01  1.2642170000e+00  1.1560180000e+00  1.5195100000e-01  1.6769590000e+00  2.5630320000e+00 -2.2468000000e-01
-ENERGY -1.526600327332e+02
-FORCES  5.5187000000e-03  1.0925000000e-03  1.8418000000e-03  4.1799000000e-03 -7.1820000000e-04 -3.5639000000e-03 -2.2644000000e-03  4.6647000000e-03  1.1192000000e-03 -1.2473400000e-02 -1.0047600000e-02 -3.0258000000e-03  5.4958000000e-03  7.7301000000e-03  2.1750000000e-03 -4.5640000000e-04 -2.7214000000e-03  1.4537000000e-03
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7003000000e-01 -3.6290400000e-01  4.3770700000e-01 -2.4739100000e-01  4.3904000000e-02 -9.2363500000e-01 -8.1524000000e-01 -5.7277000000e-02 -2.5790730000e+00 -1.5414140000e+00 -6.7999800000e-01 -2.6125440000e+00 -1.1261610000e+00  7.0078700000e-01 -3.0739450000e+00
-ENERGY -1.526593490864e+02
-FORCES -6.1446000000e-03 -2.7730000000e-04 -1.4716600000e-02  1.5012000000e-03  5.2900000000e-04 -2.3384000000e-03  2.0694000000e-03 -7.3380000000e-04  9.5809000000e-03 -1.3795000000e-03  1.0016000000e-03  3.8437000000e-03  3.3426000000e-03  4.2417000000e-03  1.2408000000e-03  6.1090000000e-04 -4.7611000000e-03  2.3896000000e-03
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6218300000e-01  6.9088900000e-01  2.0442000000e-02  3.8456000000e-01 -7.1603400000e-01  5.0560900000e-01  2.8953030000e+00 -1.0054180000e+00 -1.5562040000e+00  2.1720050000e+00 -1.6296200000e+00 -1.4975150000e+00  2.5625440000e+00 -3.0452400000e-01 -2.1167850000e+00
-ENERGY -1.526563646863e+02
-FORCES  5.6588000000e-03  5.1020000000e-04  3.6307000000e-03 -3.6794000000e-03 -2.1557000000e-03 -8.6030000000e-04 -2.3805000000e-03  1.9285000000e-03 -2.8480000000e-03 -5.8668000000e-03  1.2080000000e-04 -3.4996000000e-03  3.9144000000e-03  1.6973000000e-03  9.2420000000e-04  2.3534000000e-03 -2.1011000000e-03  2.6530000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7099900000e-01  8.7882700000e-01  2.6543200000e-01  1.2547800000e-01 -1.3503000000e-02 -9.4884400000e-01  3.0971800000e-01  6.4653100000e-01 -2.8845740000e+00  2.4246100000e-01  1.5998930000e+00 -2.8315750000e+00  1.1918720000e+00  4.8645000000e-01 -3.2198510000e+00
-ENERGY -1.526601072848e+02
-FORCES  1.5539000000e-03  3.9694000000e-03 -9.3776000000e-03 -8.4450000000e-04 -2.2302000000e-03 -8.2870000000e-04  1.5900000000e-05 -2.0917000000e-03  9.7769000000e-03  2.5616000000e-03  4.1309000000e-03 -2.9655000000e-03  1.1584000000e-03 -4.9456000000e-03  7.6310000000e-04 -4.4454000000e-03  1.1672000000e-03  2.6318000000e-03
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1411600000e-01  2.7286100000e-01  7.8556000000e-02  4.8774200000e-01  6.4447100000e-01  5.1283200000e-01 -2.4487350000e+00  9.6169900000e-01  2.4991500000e-01 -3.1459780000e+00  3.0637300000e-01  2.2475900000e-01 -2.8476950000e+00  1.7507870000e+00 -1.1669500000e-01
-ENERGY -1.526590000972e+02
-FORCES -1.5540900000e-02  8.9338000000e-03  3.0963000000e-03  5.5911000000e-03 -5.8029000000e-03  3.4800000000e-05 -1.4090000000e-03 -1.0009000000e-03 -1.5933000000e-03  7.2758000000e-03 -1.6633000000e-03 -3.4364000000e-03  3.9716000000e-03  3.9939000000e-03 -7.1440000000e-04  1.1150000000e-04 -4.4606000000e-03  2.6130000000e-03
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0762600000e-01  4.7909700000e-01 -1.8557500000e-01  2.9431800000e-01 -8.3236600000e-01  3.6983200000e-01 -8.6585600000e-01  6.7909000000e-02 -2.3880160000e+00 -2.4620800000e-01  6.9991300000e-01 -2.7524880000e+00 -5.9594000000e-01 -3.3856000000e-02 -1.4753160000e+00
-ENERGY -1.526539695194e+02
-FORCES -2.2640000000e-03 -1.2326000000e-03 -1.4506700000e-02 -5.5916000000e-03 -3.5309000000e-03 -2.0234000000e-03 -9.2490000000e-04  5.2607000000e-03 -2.9276000000e-03  8.1530000000e-03 -4.1450000000e-04  2.4576500000e-02 -1.1470000000e-04 -1.6146000000e-03  3.3599000000e-03  7.4210000000e-04  1.5318000000e-03 -8.4788000000e-03
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1753000000e-01  7.2362000000e-01  1.0612700000e-01  4.4997100000e-01 -7.5659000000e-01  3.7593800000e-01 -1.0862950000e+00  6.5843000000e-02 -2.7814140000e+00 -3.6076000000e-01  4.0554100000e-01 -3.3052810000e+00 -7.8263900000e-01  1.3668600000e-01 -1.8764250000e+00
-ENERGY -1.526607227716e+02
-FORCES  4.0810000000e-03 -2.1604000000e-03  3.1714000000e-03 -2.8523000000e-03 -3.8782000000e-03 -1.8636000000e-03 -1.2761000000e-03  4.5037000000e-03 -9.8190000000e-04  5.0981000000e-03  2.0360000000e-04  7.3583000000e-03 -1.9486000000e-03 -8.1690000000e-04  2.0643000000e-03 -3.1020000000e-03  2.1482000000e-03 -9.7485000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6766000000e-01 -8.1163800000e-01 -4.7892200000e-01 -8.0536000000e-02 -2.4436300000e-01  9.2197200000e-01 -1.0970710000e+00  2.4308920000e+00 -1.1328350000e+00 -3.7758000000e-01  3.0601150000e+00 -1.0814430000e+00 -7.7184100000e-01  1.6564380000e+00 -6.7383800000e-01
-ENERGY -1.526620848748e+02
-FORCES -1.3304000000e-03 -3.8709000000e-03  5.4000000000e-04  9.4560000000e-04  3.3821000000e-03  3.4782000000e-03  4.2730000000e-04  6.4350000000e-04 -4.7564000000e-03  6.3221000000e-03 -7.0270000000e-03  4.2416000000e-03 -2.0771000000e-03 -1.8939000000e-03  1.6230000000e-04 -4.2875000000e-03  8.7663000000e-03 -3.6656000000e-03
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5085300000e-01 -5.8601300000e-01  9.5081000000e-02 -3.3652000000e-01  7.4155400000e-01 -5.0307400000e-01 -2.2357690000e+00 -1.6683670000e+00 -2.6009700000e-01 -1.9431420000e+00 -2.5786380000e+00 -3.0489900000e-01 -3.0876500000e+00 -1.7112420000e+00  1.7428900000e-01
-ENERGY -1.526611049164e+02
-FORCES -1.1829800000e-02 -4.7434000000e-03 -2.7987000000e-03  8.5827000000e-03  3.4876000000e-03  1.4414000000e-03  1.1179000000e-03 -1.4959000000e-03  1.6394000000e-03 -1.4840000000e-04 -1.6224000000e-03  1.1350000000e-03 -1.8605000000e-03  5.0295000000e-03  1.2032000000e-03  4.1381000000e-03 -6.5550000000e-04 -2.6203000000e-03
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6604400000e-01 -6.8730200000e-01  1.5262000000e-02 -3.6774300000e-01  6.7801000000e-01 -5.6683300000e-01 -2.4373060000e+00 -1.7251640000e+00 -1.8034600000e-01 -2.1271720000e+00 -2.6267100000e+00 -2.6557300000e-01 -3.1688730000e+00 -1.7801460000e+00  4.3448700000e-01
-ENERGY -1.526610211660e+02
-FORCES -9.6784000000e-03 -2.7139000000e-03 -2.3989000000e-03  9.0495000000e-03  2.5657000000e-03  2.9000000000e-04  1.8496000000e-03 -1.2620000000e-03  1.8077000000e-03 -3.7636000000e-03 -3.2005000000e-03  2.5127000000e-03 -5.9870000000e-04  5.3395000000e-03  1.2176000000e-03  3.1416000000e-03 -7.2880000000e-04 -3.4291000000e-03
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4266500000e-01 -5.9191100000e-01  1.1967200000e-01 -3.7324600000e-01  7.6948300000e-01 -4.2990100000e-01 -1.6808860000e+00 -9.7262000000e-01 -2.9211740000e+00 -1.9184780000e+00 -1.8508550000e+00 -3.2186380000e+00 -1.7063460000e+00 -1.0277240000e+00 -1.9659010000e+00
-ENERGY -1.526525446781e+02
-FORCES -3.1686000000e-03  2.2379000000e-03 -8.7090000000e-04  2.1813000000e-03  1.7620000000e-03 -3.2208000000e-03  1.1058000000e-03 -4.2587000000e-03  2.5313000000e-03  3.2710000000e-04 -4.5549000000e-03  2.1556000000e-03  9.4610000000e-04  3.7837000000e-03  1.4876000000e-03 -1.3917000000e-03  1.0300000000e-03 -2.0830000000e-03
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3778000000e-02 -8.9644900000e-01 -3.3124000000e-01 -3.5947000000e-02 -9.3344000000e-02  9.5195900000e-01  1.6689510000e+00  8.3926200000e-01 -3.2155810000e+00  1.0369610000e+00  1.2102600000e-01 -3.1846500000e+00  1.2519520000e+00  1.5023270000e+00 -3.7657520000e+00
-ENERGY -1.526530328253e+02
-FORCES  5.1170000000e-04 -3.7777000000e-03  3.3641000000e-03 -4.9600000000e-05  3.8535000000e-03  2.9810000000e-04  1.1300000000e-05  4.3420000000e-04 -3.9896000000e-03 -5.2430000000e-03  3.8960000000e-04 -4.6120000000e-04  2.8140000000e-03  1.7667000000e-03 -1.0100000000e-03  1.9556000000e-03 -2.6662000000e-03  1.7986000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9897000000e-02 -8.2578400000e-01 -4.8033800000e-01 -3.5786100000e-01 -1.9911300000e-01  8.6517100000e-01  2.6413060000e+00  1.2024470000e+00 -4.2648400000e-01  1.8757190000e+00  7.9561600000e-01 -2.0778000000e-02  2.3758270000e+00  1.3638010000e+00 -1.3318670000e+00
-ENERGY -1.526607825789e+02
-FORCES -2.3131000000e-03 -4.1140000000e-03  5.3230000000e-04  1.8700000000e-04  4.2553000000e-03  2.5669000000e-03  2.4879000000e-03  5.6940000000e-04 -4.3963000000e-03 -1.1053400000e-02 -2.9351000000e-03 -9.8690000000e-04  8.7804000000e-03  2.8458000000e-03  3.7850000000e-04  1.9113000000e-03 -6.2130000000e-04  1.9054000000e-03
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0092100000e-01  7.4124100000e-01  7.5416000000e-02  2.6307100000e-01 -5.9464600000e-01  7.0244000000e-01  1.8410290000e+00  1.8555100000e+00  5.8683900000e-01  2.6903620000e+00  1.8001510000e+00  1.4888800000e-01  1.6146640000e+00  2.7850100000e+00  5.5487400000e-01
-ENERGY -1.526600001222e+02
-FORCES  1.2582700000e-02  1.0676300000e-02  6.3542000000e-03 -6.4722000000e-03 -4.8340000000e-03 -3.3577000000e-03 -4.9470000000e-04  9.3720000000e-04 -2.0093000000e-03 -2.5876000000e-03 -2.5236000000e-03 -2.6818000000e-03 -4.7441000000e-03  1.0323000000e-03  2.4535000000e-03  1.7159000000e-03 -5.2883000000e-03 -7.5890000000e-04
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0981800000e-01 -5.0856000000e-01 -4.2342000000e-02 -2.4312100000e-01  8.6607600000e-01 -3.2716300000e-01 -1.4729970000e+00 -6.9306600000e-01 -2.9458150000e+00 -1.5354710000e+00 -1.6252980000e+00 -3.1538350000e+00 -1.7669940000e+00 -6.2972400000e-01 -2.0370880000e+00
-ENERGY -1.526511427432e+02
-FORCES -2.8223000000e-03  2.1002000000e-03 -2.6038000000e-03  1.6168000000e-03  1.8934000000e-03 -2.2180000000e-03  2.3260000000e-04 -4.2191000000e-03  2.1835000000e-03  2.9540000000e-04 -4.2566000000e-03  2.7510000000e-03 -4.6000000000e-05  4.1051000000e-03  1.0622000000e-03  7.2350000000e-04  3.7690000000e-04 -1.1749000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8546400000e-01 -4.1271400000e-01  3.5909100000e-01 -1.6074700000e-01  4.2349000000e-02 -9.4265500000e-01 -2.5326290000e+00 -1.1378980000e+00  3.7222400000e-01 -2.7968660000e+00 -2.0148380000e+00  9.4042000000e-02 -2.8015380000e+00 -1.0858660000e+00  1.2894010000e+00
-ENERGY -1.526599126886e+02
-FORCES -1.3124000000e-02 -5.3360000000e-03 -2.1341000000e-03  7.3690000000e-03  3.9444000000e-03  3.1086000000e-03  1.7519000000e-03 -3.6200000000e-05  1.8716000000e-03  3.0120000000e-04 -2.6030000000e-03  2.7740000000e-04  4.7390000000e-04  4.5904000000e-03  1.8088000000e-03  3.2280000000e-03 -5.5950000000e-04 -4.9323000000e-03
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0644000000e-02 -8.0971700000e-01 -5.1006300000e-01 -1.7166700000e-01 -2.8587300000e-01  8.9723900000e-01 -1.8029810000e+00  2.1553740000e+00  2.3007530000e+00 -1.0732730000e+00  2.6078150000e+00  1.8776040000e+00 -1.5083150000e+00  2.0138070000e+00  3.2003990000e+00
-ENERGY -1.526553882582e+02
-FORCES -2.0951000000e-03 -4.4996000000e-03  1.7317000000e-03 -6.4900000000e-05  3.1534000000e-03  2.1657000000e-03  2.5545000000e-03  5.0710000000e-04 -3.8307000000e-03  3.8481000000e-03  2.8803000000e-03  7.9060000000e-04 -3.2771000000e-03 -1.6945000000e-03  3.1368000000e-03 -9.6550000000e-04 -3.4680000000e-04 -3.9942000000e-03
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0236400000e-01  5.1184300000e-01 -1.0228000000e-01  3.0002400000e-01 -8.6074300000e-01  2.9213000000e-01  1.6076800000e+00  5.3101200000e-01  2.7664430000e+00  1.7003780000e+00  1.4644340000e+00  2.9571300000e+00  2.1311720000e+00  3.9423100000e-01  1.9768360000e+00
-ENERGY -1.526512197011e+02
-FORCES  3.8728000000e-03 -1.2915000000e-03  4.2085000000e-03 -1.5698000000e-03 -2.0365000000e-03  6.0680000000e-04 -3.8040000000e-04  3.4247000000e-03 -2.5901000000e-03  6.6130000000e-04  3.9892000000e-03 -2.5669000000e-03 -8.2000000000e-06 -4.0566000000e-03 -1.0462000000e-03 -2.5756000000e-03 -2.9300000000e-05  1.3879000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0934600000e-01  2.9092200000e-01  6.8457000000e-02  5.0374500000e-01  6.7954600000e-01  4.4798400000e-01  1.2032910000e+00  2.2594410000e+00  1.2445950000e+00  2.0370330000e+00  2.6466800000e+00  9.7785100000e-01  1.3234370000e+00  2.0447480000e+00  2.1696380000e+00
-ENERGY -1.526613967348e+02
-FORCES  2.4912000000e-03  1.1246700000e-02  4.3227000000e-03  2.4023000000e-03 -1.1936000000e-03  1.3720000000e-04 -3.5984000000e-03 -9.2900000000e-03 -2.1708000000e-03  3.3245000000e-03  9.0310000000e-04  8.1900000000e-04 -3.9891000000e-03 -1.9170000000e-03  2.4775000000e-03 -6.3050000000e-04  2.5090000000e-04 -5.5856000000e-03
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3396400000e-01 -7.1487800000e-01 -5.7185000000e-02 -5.0886400000e-01  7.8789000000e-01 -1.9109900000e-01  1.4387160000e+00  2.8299580000e+00  9.3590100000e-01  2.1261510000e+00  2.2661070000e+00  1.2904940000e+00  1.3475380000e+00  2.5528730000e+00  2.4231000000e-02
-ENERGY -1.526556956884e+02
-FORCES -5.6631000000e-03  2.9040000000e-04  2.7720000000e-04  2.5474000000e-03  3.1502000000e-03  5.1790000000e-04  3.1469000000e-03 -3.3727000000e-03 -1.2658000000e-03  3.3233000000e-03 -6.1554000000e-03 -1.7198000000e-03 -1.7457000000e-03  3.7692000000e-03 -9.2560000000e-04 -1.6089000000e-03  2.3183000000e-03  3.1161000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7370300000e-01  3.6851500000e-01 -4.2639500000e-01  2.2584200000e-01 -2.1531000000e-02  9.2992700000e-01  6.4927300000e-01 -1.7980000000e-03  2.8528030000e+00  1.2781450000e+00  7.1969800000e-01  2.8667940000e+00  1.1195560000e+00 -7.3769400000e-01  3.2446210000e+00
-ENERGY -1.526604525633e+02
-FORCES  3.5816000000e-03  5.4100000000e-05  9.0713000000e-03 -1.9910000000e-03 -8.5090000000e-04  2.3710000000e-03 -6.0400000000e-04  1.7848000000e-03 -1.0939600000e-02  3.7465000000e-03 -9.3840000000e-04  3.5938000000e-03 -3.0166000000e-03 -4.4878000000e-03 -2.2271000000e-03 -1.7165000000e-03  4.4382000000e-03 -1.8695000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5158100000e-01 -3.0171800000e-01  5.1022000000e-01 -3.0788200000e-01 -4.3410000000e-03 -9.0632300000e-01 -2.6525600000e+00 -8.5696100000e-01  2.7111100000e-01 -2.7474460000e+00 -1.7009800000e+00 -1.7031900000e-01 -2.8169140000e+00 -1.0491530000e+00  1.1943020000e+00
-ENERGY -1.526574498430e+02
-FORCES -1.5081300000e-02 -3.1365000000e-03 -2.2223000000e-03  6.5359000000e-03  6.9310000000e-04  4.5749000000e-03  3.1315000000e-03 -1.6890000000e-04  8.2670000000e-04  5.8670000000e-04 -3.4096000000e-03 -4.0620000000e-04  7.8730000000e-04  4.6251000000e-03  2.1644000000e-03  4.0398000000e-03  1.3969000000e-03 -4.9375000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9387500000e-01  6.0871100000e-01  2.5345500000e-01  1.6348500000e-01 -7.8278500000e-01  5.2607300000e-01 -1.8347530000e+00 -2.8828990000e+00 -5.8438800000e-01 -2.5262110000e+00 -2.4033220000e+00 -1.0405930000e+00 -1.8018740000e+00 -2.4863450000e+00  2.8618400000e-01
-ENERGY -1.526543289643e+02
-FORCES  4.7623000000e-03 -1.1629000000e-03  2.1937000000e-03 -2.9496000000e-03 -2.6892000000e-03 -1.2252000000e-03 -2.1767000000e-03  3.6678000000e-03 -5.5700000000e-04 -3.3341000000e-03  5.4364000000e-03  3.5580000000e-04  2.0171000000e-03 -3.1357000000e-03  1.8638000000e-03  1.6809000000e-03 -2.1165000000e-03 -2.6311000000e-03
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5557500000e-01 -4.3063000000e-02 -3.5411000000e-02 -2.9347200000e-01 -6.7072200000e-01 -6.1663400000e-01 -3.7283200000e-01  2.6190680000e+00 -4.3445000000e-01 -1.2042110000e+00  2.9227340000e+00 -6.9994000000e-02 -4.8021800000e-01  1.6718070000e+00 -5.2044900000e-01
-ENERGY -1.526592614513e+02
-FORCES  4.6588000000e-03  3.6082000000e-03 -2.0050000000e-04 -5.5847000000e-03 -1.0512000000e-03 -7.6770000000e-04  1.1658000000e-03  5.4949000000e-03  2.3386000000e-03 -3.8960000000e-04 -1.4707700000e-02  4.0520000000e-03  2.0807000000e-03 -2.2374000000e-03 -1.1538000000e-03 -1.9309000000e-03  8.8932000000e-03 -4.2686000000e-03
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3453500000e-01  6.1209700000e-01  4.5029000000e-02  2.9160700000e-01 -7.6204800000e-01  5.0048000000e-01  1.0768250000e+00 -2.1217340000e+00  1.2774420000e+00  1.0691000000e+00 -2.9861910000e+00  8.6648300000e-01  7.5726900000e-01 -2.2757880000e+00  2.1664770000e+00
-ENERGY -1.526606939309e+02
-FORCES  8.8240000000e-03 -1.1516200000e-02  7.3405000000e-03 -1.8159000000e-03 -1.7173000000e-03  2.3550000000e-04 -5.0640000000e-03  7.5483000000e-03 -3.0244000000e-03 -3.0485000000e-03  9.7190000000e-04 -2.6663000000e-03 -1.5710000000e-04  4.0379000000e-03  3.5108000000e-03  1.2615000000e-03  6.7540000000e-04 -5.3961000000e-03
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0270600000e-01 -2.4824000000e-01 -1.9932600000e-01 -5.3401200000e-01 -6.5124700000e-01 -4.5490600000e-01 -2.3673080000e+00 -1.9726770000e+00  2.1486880000e+00 -3.1488630000e+00 -2.5196230000e+00  2.0696060000e+00 -2.6210900000e+00 -1.1342510000e+00  1.7628540000e+00
-ENERGY -1.526548967327e+02
-FORCES  2.4358000000e-03 -4.8476000000e-03 -1.8776000000e-03 -3.5302000000e-03  1.2694000000e-03  3.2790000000e-04  1.4790000000e-03  3.6887000000e-03  1.3391000000e-03 -4.0302000000e-03  2.2911000000e-03 -6.9220000000e-04  3.4988000000e-03  2.2092000000e-03 -3.4800000000e-05  1.4690000000e-04 -4.6109000000e-03  9.3750000000e-04
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4456300000e-01 -6.8525200000e-01 -1.7663700000e-01 -3.6772700000e-01  7.8550600000e-01 -4.0495600000e-01  8.4151900000e-01 -3.9629000000e-02  2.5914030000e+00  1.6665700000e-01 -5.0884700000e-01  3.0819400000e+00  4.3996300000e-01  1.3838100000e-01  1.7409350000e+00
-ENERGY -1.526593260939e+02
-FORCES -1.2112000000e-03 -1.4963000000e-03  1.3516000000e-03  2.6540000000e-03  4.4442000000e-03  1.3992000000e-03  1.4370000000e-03 -4.5748000000e-03  3.1140000000e-03 -5.8340000000e-03 -4.6760000000e-04 -1.3303700000e-02  1.3348000000e-03  9.5070000000e-04 -2.6800000000e-03  1.6194000000e-03  1.1438000000e-03  1.0118900000e-02
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1858000000e-02 -9.2495500000e-01 -2.4606800000e-01 -3.1005000000e-01  3.4630000000e-03  9.0558800000e-01 -1.4197820000e+00  1.8318010000e+00 -1.3829860000e+00 -8.9622500000e-01  2.6101920000e+00 -1.5733220000e+00 -8.5004700000e-01  1.2859980000e+00 -8.4101500000e-01
-ENERGY -1.526606106358e+02
-FORCES -4.7825000000e-03 -4.4880000000e-04 -3.3312000000e-03  2.8580000000e-04  3.9586000000e-03  3.2461000000e-03  1.1115000000e-03  1.9550000000e-04 -5.4700000000e-03  9.3735000000e-03 -9.2983000000e-03  6.2830000000e-03 -4.8180000000e-04 -3.0355000000e-03  1.5314000000e-03 -5.5064000000e-03  8.6285000000e-03 -2.2593000000e-03
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5638400000e-01 -8.7102400000e-01  3.0301200000e-01 -9.2220700000e-01  7.7340000000e-02  2.4450700000e-01 -2.5289660000e+00  7.7106500000e-01  6.8511200000e-01 -3.3455040000e+00  2.9397400000e-01  8.3303700000e-01 -2.7818260000e+00  1.5164330000e+00  1.4039100000e-01
-ENERGY -1.526607186972e+02
-FORCES -1.1923500000e-02  1.6866000000e-03  4.6429000000e-03 -2.3464000000e-03  2.3446000000e-03 -4.0480000000e-04  9.3033000000e-03 -3.0424000000e-03 -3.2284000000e-03  1.1604000000e-03  6.6750000000e-04 -2.9797000000e-03  3.8186000000e-03  2.7754000000e-03 -1.0809000000e-03 -1.2500000000e-05 -4.4317000000e-03  3.0509000000e-03
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9944600000e-01  6.0662000000e-01 -4.3463700000e-01  3.4270200000e-01 -7.9507000000e-02  8.9020600000e-01  2.6170170000e+00  1.2703770000e+00 -4.3194400000e-01  2.7193870000e+00  2.2199240000e+00 -3.6781000000e-01  2.6983460000e+00  1.0828470000e+00 -1.3670640000e+00
-ENERGY -1.526588590606e+02
-FORCES  1.1056300000e-02  4.5957000000e-03  2.5610000000e-03 -6.9132000000e-03 -2.4094000000e-03 -3.0225000000e-03 -3.0878000000e-03 -6.4300000000e-04 -1.6092000000e-03  3.4009000000e-03  2.0845000000e-03 -2.6342000000e-03 -1.4523000000e-03 -5.0558000000e-03 -4.9250000000e-04 -3.0040000000e-03  1.4279000000e-03  5.1974000000e-03
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4352100000e-01 -7.0837500000e-01 -1.7815000000e-02 -4.8770900000e-01  7.7439600000e-01 -2.8050400000e-01 -3.2064300000e-01  2.8218790000e+00  2.1132750000e+00  5.6454400000e-01  2.5771750000e+00  1.8434690000e+00 -3.7335200000e-01  3.7616760000e+00  1.9393960000e+00
-ENERGY -1.526561680396e+02
-FORCES -5.9734000000e-03  4.9040000000e-04 -1.8100000000e-05  2.5684000000e-03  2.5895000000e-03 -4.1280000000e-04  3.0572000000e-03 -3.6780000000e-03 -3.9960000000e-04  4.6059000000e-03  2.0910000000e-03 -2.1660000000e-04 -4.2437000000e-03  2.7084000000e-03  8.9640000000e-04 -1.4500000000e-05 -4.2012000000e-03  1.5070000000e-04
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3279000000e-02 -8.3419700000e-01 -4.6365600000e-01 -4.4481000000e-02 -2.3575900000e-01  9.2664500000e-01  2.4785500000e+00  1.1572940000e+00 -6.1390000000e-01  1.7120200000e+00  6.8906200000e-01 -2.8311100000e-01  2.2907010000e+00  1.3000560000e+00 -1.5415660000e+00
-ENERGY -1.526603138622e+02
-FORCES -1.6920000000e-04 -2.7914000000e-03  9.1120000000e-04  1.3000000000e-03  4.8054000000e-03  2.5020000000e-03  1.7153000000e-03  1.0225000000e-03 -5.5775000000e-03 -1.3742000000e-02 -4.1464000000e-03  1.9470000000e-04  9.9643000000e-03  2.0446000000e-03 -1.8480000000e-04  9.3170000000e-04 -9.3470000000e-04  2.1545000000e-03
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1198500000e-01  2.6282300000e-01 -4.3340200000e-01  2.5243200000e-01 -1.5216200000e-01  9.1069000000e-01  1.4237540000e+00 -2.6836640000e+00  4.4711900000e-01  1.3719870000e+00 -3.6227560000e+00  2.6918900000e-01  6.1546400000e-01 -2.4839710000e+00  9.1937200000e-01
-ENERGY -1.526543028464e+02
-FORCES  7.8011000000e-03 -1.2941000000e-03  1.8930000000e-04 -4.1087000000e-03  1.1202000000e-03  1.5781000000e-03 -2.6475000000e-03 -1.7099000000e-03 -2.7573000000e-03 -5.5338000000e-03 -1.9932000000e-03 -5.7520000000e-04 -5.4400000000e-05  4.0471000000e-03  4.3060000000e-04  4.5433000000e-03 -1.7000000000e-04  1.1345000000e-03
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2735100000e-01 -2.0956100000e-01 -1.1106500000e-01 -4.6207900000e-01 -7.3450800000e-01 -4.0399600000e-01  2.7193680000e+00 -5.4795000000e-01 -5.0825400000e-01  3.3135500000e+00  1.4389900000e-01 -7.9898400000e-01  3.2738630000e+00 -1.1452460000e+00 -6.2530000000e-03
-ENERGY -1.526617845570e+02
-FORCES  1.0298500000e-02 -4.2533000000e-03 -3.5032000000e-03 -9.6282000000e-03  1.8383000000e-03  2.0447000000e-03  1.6536000000e-03  1.7303000000e-03  1.3375000000e-03  1.3982000000e-03  1.6801000000e-03  1.1753000000e-03 -1.7474000000e-03 -4.2625000000e-03  1.9199000000e-03 -1.9747000000e-03  3.2671000000e-03 -2.9743000000e-03
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8152200000e-01 -3.0952700000e-01  4.5787400000e-01 -3.2831500000e-01  3.3951800000e-01 -8.3256700000e-01  1.3355290000e+00  2.0795440000e+00  1.3076990000e+00  2.2299780000e+00  1.7512260000e+00  1.2160470000e+00  7.8885900000e-01  1.4000420000e+00  9.1316000000e-01
-ENERGY -1.526615157890e+02
-FORCES -2.6036000000e-03  8.9790000000e-04 -1.0269000000e-03  4.0871000000e-03  2.6890000000e-03 -2.6635000000e-03  1.4342000000e-03 -1.5111000000e-03  5.1809000000e-03 -3.6153000000e-03 -1.1967300000e-02 -6.3495000000e-03 -2.3047000000e-03  1.1496000000e-03  1.0740000000e-04  3.0023000000e-03  8.7420000000e-03  4.7517000000e-03
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3683300000e-01 -4.5968400000e-01  6.8074000000e-02 -2.2571700000e-01  8.5710600000e-01 -3.6146000000e-01 -2.2652790000e+00 -1.6316390000e+00 -1.2026800000e-01 -2.1286020000e+00 -2.5626120000e+00  5.5347000000e-02 -3.1155160000e+00 -1.4354850000e+00  2.7324400000e-01
-ENERGY -1.526611358110e+02
-FORCES -1.0695600000e-02 -5.2198000000e-03 -1.9822000000e-03  7.9161000000e-03  6.5665000000e-03  1.3100000000e-03 -3.5440000000e-04 -2.6388000000e-03  1.3269000000e-03  8.2690000000e-04 -2.2228000000e-03  1.6751000000e-03 -2.1313000000e-03  4.6738000000e-03 -4.1180000000e-04  4.4382000000e-03 -1.1590000000e-03 -1.9179000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4043200000e-01  4.3649100000e-01 -1.3921700000e-01  2.3272100000e-01 -8.9004100000e-01  2.6438600000e-01 -2.6222890000e+00  9.7938600000e-01  2.5881000000e-01 -1.7476440000e+00  6.3786600000e-01  7.2819000000e-02 -3.2133740000e+00  2.6108600000e-01  3.3210000000e-02
-ENERGY -1.526609105835e+02
-FORCES  5.3520000000e-04  6.9360000000e-04  1.4300000000e-03 -2.9628000000e-03 -3.6173000000e-03  1.0375000000e-03 -2.4270000000e-04  4.2801000000e-03 -1.7409000000e-03  9.4825000000e-03 -5.2886000000e-03 -2.0504000000e-03 -9.2995000000e-03  2.5506000000e-03  4.2080000000e-04  2.4873000000e-03  1.3817000000e-03  9.0300000000e-04
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2085000000e-02  9.4450600000e-01  1.3764000000e-01  2.6144600000e-01 -1.3033200000e-01 -9.1153200000e-01 -2.4404130000e+00 -8.9138200000e-01  7.6466400000e-01 -1.6298680000e+00 -3.9863200000e-01  6.3642300000e-01 -2.3883150000e+00 -1.2086260000e+00  1.6662590000e+00
-ENERGY -1.526593388446e+02
-FORCES -3.3217000000e-03 -2.2162000000e-03 -4.0016000000e-03 -2.7574000000e-03 -5.7222000000e-03 -2.2670000000e-04  3.4800000000e-05  2.2815000000e-03  4.7413000000e-03  1.4116700000e-02  3.0161000000e-03 -2.6594000000e-03 -9.0160000000e-03  9.8590000000e-04  4.7902000000e-03  9.4360000000e-04  1.6549000000e-03 -2.6438000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7444300000e-01 -4.5193700000e-01  3.3499600000e-01 -1.6328900000e-01  9.2344000000e-02 -9.3863800000e-01  2.1549110000e+00 -1.6457030000e+00  6.8410700000e-01  1.4743850000e+00 -1.2347790000e+00  1.5094900000e-01  1.9767230000e+00 -1.3440630000e+00  1.5748900000e+00
-ENERGY -1.526590331640e+02
-FORCES -2.4767000000e-03 -1.2559000000e-03 -1.8080000000e-04  4.9024000000e-03  1.9097000000e-03 -1.8033000000e-03  1.9108000000e-03 -2.3647000000e-03  5.2208000000e-03 -1.0737400000e-02  1.0782400000e-02 -4.7550000000e-04  5.4659000000e-03 -6.7981000000e-03 -1.4711000000e-03  9.3500000000e-04 -2.2734000000e-03 -1.2900000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8422400000e-01 -3.2233700000e-01  1.7457900000e-01 -2.4411000000e-02  2.8486200000e-01 -9.1350400000e-01  1.5063770000e+00  1.6783350000e+00  1.7005060000e+00  2.3457840000e+00  1.2225990000e+00  1.7632060000e+00  1.0300350000e+00  1.2106490000e+00  1.0145040000e+00
-ENERGY -1.526611346757e+02
-FORCES -3.6865000000e-03  1.5170000000e-04  8.2420000000e-04  4.0229000000e-03  1.1264000000e-03 -2.6974000000e-03  2.9820000000e-04 -7.9750000000e-04  5.3467000000e-03 -4.4205000000e-03 -8.9893000000e-03 -6.3151000000e-03 -2.4247000000e-03  1.2755000000e-03 -5.5420000000e-04  6.2105000000e-03  7.2332000000e-03  3.3957000000e-03
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7338000000e-01  2.5803600000e-01  2.9471400000e-01 -7.5628000000e-02 -9.2066900000e-01  2.5076000000e-01 -2.8599320000e+00  5.7547700000e-01  8.9338000000e-02 -1.9153020000e+00  5.3800200000e-01 -6.0672000000e-02 -3.2230240000e+00 -8.4949000000e-02 -5.0077500000e-01
-ENERGY -1.526606573864e+02
-FORCES  2.9458000000e-03 -1.0708000000e-03  3.2923000000e-03 -3.3534000000e-03 -2.7993000000e-03 -1.1204000000e-03  1.2560000000e-04  4.6775000000e-03 -1.7968000000e-03  8.1664000000e-03 -1.4106000000e-03 -2.7875000000e-03 -9.7211000000e-03 -7.3320000000e-04  6.6500000000e-05  1.8368000000e-03  1.3364000000e-03  2.3459000000e-03
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5986400000e-01 -9.1986000000e-01 -5.0604000000e-02 -4.0570000000e-02  2.0986200000e-01  9.3302900000e-01 -1.3378890000e+00  2.1569880000e+00 -1.4145850000e+00 -5.3749300000e-01  2.6476140000e+00 -1.2278110000e+00 -1.2143110000e+00  1.3181070000e+00 -9.7046800000e-01
-ENERGY -1.526601982020e+02
-FORCES  4.9480000000e-04 -2.8497000000e-03  3.2460000000e-03  5.5410000000e-04  5.1405000000e-03  5.9100000000e-04 -3.2280000000e-04 -7.0230000000e-04 -5.2868000000e-03  8.3635000000e-03 -7.3911000000e-03  4.9639000000e-03 -2.8728000000e-03  1.8980000000e-04 -4.2310000000e-04 -6.2169000000e-03  5.6127000000e-03 -3.0910000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6344100000e-01 -3.5232600000e-01  2.1579500000e-01 -4.1904000000e-02  1.7937700000e-01 -9.3930800000e-01  2.2431580000e+00 -1.4137240000e+00  8.5187800000e-01  1.4675090000e+00 -8.8453000000e-01  6.6599100000e-01  2.3168720000e+00 -1.4045500000e+00  1.8061910000e+00
-ENERGY -1.526615119389e+02
-FORCES -1.6300000000e-05 -2.8617000000e-03 -2.7788000000e-03  4.1812000000e-03  1.9725000000e-03 -1.4588000000e-03 -1.2541000000e-03 -9.9170000000e-04  4.7899000000e-03 -9.6712000000e-03  7.0820000000e-03 -1.7592000000e-03  8.3925000000e-03 -5.4956000000e-03  4.0342000000e-03 -1.6322000000e-03  2.9440000000e-04 -2.8273000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7350500000e-01 -9.1196600000e-01  2.3333600000e-01 -8.4702400000e-01  1.9351200000e-01  4.0166700000e-01  4.8067400000e-01 -2.6339340000e+00  5.4465900000e-01  1.3300010000e+00 -3.0238550000e+00  3.3768600000e-01 -1.5899900000e-01 -3.2380230000e+00  1.6766000000e-01
-ENERGY -1.526608627067e+02
-FORCES  1.3489000000e-03 -1.3613200000e-02  4.6081000000e-03 -2.3576000000e-03  9.7101000000e-03 -2.1253000000e-03  2.0279000000e-03 -1.8578000000e-03 -1.2805000000e-03  3.6900000000e-04  2.0270000000e-03 -3.8317000000e-03 -5.0468000000e-03  9.0380000000e-04  6.1730000000e-04  3.6587000000e-03  2.8302000000e-03  2.0122000000e-03
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0551700000e-01 -2.7973900000e-01 -1.3422900000e-01 -5.1087700000e-01 -5.4561900000e-01 -5.9794400000e-01  2.5869860000e+00 -9.0704200000e-01 -7.5125400000e-01  3.2052310000e+00 -1.7680200000e-01 -7.2376900000e-01  2.9125070000e+00 -1.5219570000e+00 -9.3874000000e-02
-ENERGY -1.526614262487e+02
-FORCES  9.9604000000e-03 -5.7498000000e-03 -6.1578000000e-03 -8.3139000000e-03  3.8002000000e-03  5.0684000000e-03  1.0805000000e-03  1.3646000000e-03  1.9927000000e-03  3.4691000000e-03  6.1010000000e-04  1.2816000000e-03 -3.6981000000e-03 -4.1147000000e-03  8.5620000000e-04 -2.4981000000e-03  4.0896000000e-03 -3.0410000000e-03
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2124900000e-01 -3.2269300000e-01  3.7101300000e-01 -1.4525100000e-01 -6.2290000000e-03 -9.4609500000e-01  2.2433360000e+00 -1.5849790000e+00  5.1863400000e-01  1.4087670000e+00 -1.1867420000e+00  2.7138200000e-01  2.4609150000e+00 -1.1835260000e+00  1.3598990000e+00
-ENERGY -1.526606956209e+02
-FORCES -1.8683000000e-03 -6.7030000000e-04 -1.6086000000e-03  4.9446000000e-03  1.1391000000e-03 -2.2236000000e-03  9.8490000000e-04 -1.4498000000e-03  5.6929000000e-03 -1.0319100000e-02  1.0087000000e-02  3.5100000000e-04  6.7279000000e-03 -7.4427000000e-03 -3.7370000000e-04 -4.7010000000e-04 -1.6632000000e-03 -1.8379000000e-03
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8126700000e-01 -5.5165700000e-01 -3.9096000000e-02 -2.9264100000e-01  8.5350200000e-01 -3.1957500000e-01 -8.6235600000e-01  2.6458570000e+00  2.0675130000e+00 -1.1562460000e+00  3.5483210000e+00  2.1916870000e+00  4.3633000000e-02  2.7273480000e+00  1.7695640000e+00
-ENERGY -1.526553638608e+02
-FORCES -6.3606000000e-03  1.5865000000e-03  1.2850000000e-04  3.3416000000e-03  1.5028000000e-03 -6.7290000000e-04  2.9928000000e-03 -3.3243000000e-03  1.5050000000e-04  3.5609000000e-03  3.6221000000e-03  1.1388000000e-03  1.1579000000e-03 -4.0970000000e-03 -8.6850000000e-04 -4.6926000000e-03  7.0990000000e-04  1.2350000000e-04
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5356400000e-01  4.0997900000e-01 -1.3992200000e-01  5.2264600000e-01  6.7538200000e-01  4.3235600000e-01  1.4131880000e+00  1.8345150000e+00  1.1492400000e+00  2.2067750000e+00  2.3676320000e+00  1.1019480000e+00  1.3056600000e+00  1.6463940000e+00  2.0815920000e+00
-ENERGY -1.526573297067e+02
-FORCES  1.0078700000e-02  1.5057200000e-02  5.6569000000e-03  2.7243000000e-03 -1.1040000000e-04  1.3333000000e-03 -5.5812000000e-03 -5.0623000000e-03  2.9234000000e-03 -3.5226000000e-03 -8.4993000000e-03 -6.8786000000e-03 -4.1420000000e-03 -2.0190000000e-03  3.1173000000e-03  4.4270000000e-04  6.3380000000e-04 -6.1523000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1138800000e-01 -8.5627700000e-01 -1.1739600000e-01 -1.1592100000e-01  1.9651500000e-01  9.2961100000e-01  2.4165220000e+00  1.1526730000e+00 -5.8014700000e-01  1.6706560000e+00  6.3676500000e-01 -2.7395100000e-01  2.2333290000e+00  1.3134020000e+00 -1.5058020000e+00
-ENERGY -1.526599827971e+02
-FORCES  1.7577000000e-03 -8.0750000000e-04  6.4680000000e-04  1.1608000000e-03  4.7470000000e-03  1.3764000000e-03  2.2971000000e-03 -1.8498000000e-03 -5.4862000000e-03 -1.3671800000e-02 -6.2172000000e-03 -1.1452000000e-03  7.2474000000e-03  4.5416000000e-03  2.6106000000e-03  1.2088000000e-03 -4.1410000000e-04  1.9976000000e-03
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7611800000e-01 -9.3277700000e-01 -1.2305100000e-01 -6.1689000000e-02  1.3313800000e-01  9.4588600000e-01  2.4665850000e+00  1.1209600000e+00 -5.6707800000e-01  1.6293040000e+00  8.3324700000e-01 -2.0319100000e-01  2.2428400000e+00  1.4898120000e+00 -1.4215470000e+00
-ENERGY -1.526594489305e+02
-FORCES  2.6236000000e-03 -3.8545000000e-03 -2.2330000000e-04 -4.4210000000e-04  4.7390000000e-03  1.6302000000e-03  3.2791000000e-03 -1.3090000000e-04 -5.9505000000e-03 -1.3762000000e-02 -5.0539000000e-03 -1.0420000000e-03  7.1375000000e-03  5.3012000000e-03  3.5585000000e-03  1.1639000000e-03 -1.0009000000e-03  2.0271000000e-03
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7605000000e-02  6.9712100000e-01  6.5133100000e-01  2.4073600000e-01  4.5255600000e-01 -8.0837500000e-01 -1.7293530000e+00  4.2616220000e+00 -4.5621000000e-02 -2.5346520000e+00  3.7808260000e+00  1.4558800000e-01 -1.6450690000e+00  4.2194140000e+00 -9.9816800000e-01
-ENERGY -1.526551539697e+02
-FORCES  1.1562000000e-03  5.2198000000e-03 -2.4550000000e-04  1.2080000000e-04 -3.6387000000e-03 -2.6591000000e-03 -1.1964000000e-03 -2.0914000000e-03  2.8488000000e-03 -3.9149000000e-03 -1.1437000000e-03 -3.2788000000e-03  3.7779000000e-03  1.8602000000e-03 -7.2110000000e-04  5.6500000000e-05 -2.0610000000e-04  4.0557000000e-03
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1563900000e-01 -3.9340000000e-01  3.1016300000e-01 -1.2308000000e-01  9.4411000000e-02 -9.4454700000e-01 -2.5240970000e+00 -1.0724060000e+00  6.3163400000e-01 -2.5511550000e+00 -1.9492440000e+00  2.4867800000e-01 -2.7036420000e+00 -1.2110290000e+00  1.5615690000e+00
-ENERGY -1.526609728535e+02
-FORCES -1.3004000000e-02 -3.4874000000e-03  4.8800000000e-04  1.0152900000e-02  2.1597000000e-03 -1.5060000000e-03  4.0290000000e-04 -1.0004000000e-03  2.4428000000e-03 -1.1780000000e-04 -2.7900000000e-03  1.7050000000e-03  9.8800000000e-04  5.0291000000e-03  2.0901000000e-03  1.5780000000e-03  8.9100000000e-05 -5.2198000000e-03
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8476700000e-01  6.5470700000e-01  1.3669400000e-01  2.5242400000e-01 -7.3229600000e-01  5.6236700000e-01 -1.2343140000e+00 -3.0195100000e-01 -2.7868520000e+00 -3.3430200000e-01 -3.4234000000e-02 -2.9726970000e+00 -1.2674570000e+00 -3.8714800000e-01 -1.8340270000e+00
-ENERGY -1.526595186581e+02
-FORCES  4.1168000000e-03  6.9320000000e-04  3.0643000000e-03 -2.4770000000e-03 -3.5748000000e-03 -4.9490000000e-04 -1.0338000000e-03  3.5581000000e-03 -2.7661000000e-03  5.8976000000e-03  1.5647000000e-03  7.9524000000e-03 -2.5883000000e-03 -4.2940000000e-04 -1.5635000000e-03 -3.9152000000e-03 -1.8119000000e-03 -6.1921000000e-03
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9100000000e-02  9.5392400000e-01  2.1380000000e-03  7.7111900000e-01 -1.7566100000e-01 -5.3921300000e-01  2.3865100000e+00  2.0402110000e+00  1.7808050000e+00  2.7330530000e+00  1.1518080000e+00  1.8637500000e+00  1.5819570000e+00  2.0333590000e+00  2.2993410000e+00
-ENERGY -1.526563252077e+02
-FORCES  3.6031000000e-03  4.3559000000e-03 -3.1718000000e-03 -1.0493000000e-03 -4.3330000000e-03  5.7150000000e-04 -3.1468000000e-03 -2.6400000000e-04  2.3134000000e-03 -1.8976000000e-03 -4.7978000000e-03  3.7280000000e-03 -6.2010000000e-04  4.0234000000e-03 -7.6460000000e-04  3.1106000000e-03  1.0154000000e-03 -2.6765000000e-03
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8832000000e-01  2.7325300000e-01 -2.2902500000e-01  8.7690000000e-02  2.2144000000e-01  9.2709600000e-01 -2.1962470000e+00  1.5992080000e+00  4.4179000000e-02 -3.0966430000e+00  1.2843710000e+00  1.2416600000e-01 -2.0954270000e+00  1.8043600000e+00 -8.8532600000e-01
-ENERGY -1.526569938799e+02
-FORCES -1.2941200000e-02  1.0047500000e-02  5.6817000000e-03  3.6863000000e-03 -3.5855000000e-03 -6.6560000000e-03  1.6403000000e-03 -1.9777000000e-03 -1.8398000000e-03  1.1404000000e-03  1.8610000000e-04 -1.9421000000e-03  5.8310000000e-03  5.4560000000e-04 -8.2900000000e-04  6.4320000000e-04 -5.2159000000e-03  5.5852000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6421000000e-01  3.8397600000e-01 -5.7238100000e-01  4.4628000000e-01 -1.2086900000e-01  8.3812700000e-01 -2.0519100000e+00  1.9539990000e+00 -2.3278500000e-01 -1.3701690000e+00  1.2997000000e+00 -7.9968000000e-02 -2.4216820000e+00  1.7209140000e+00 -1.0843560000e+00
-ENERGY -1.526614315054e+02
-FORCES  3.7162000000e-03  9.7960000000e-04  1.4202000000e-03 -4.4109000000e-03 -1.3471000000e-03  3.2983000000e-03 -1.7110000000e-03  1.0946000000e-03 -4.7649000000e-03  6.6515000000e-03 -1.0269300000e-02 -4.2460000000e-04 -6.0501000000e-03  8.7434000000e-03 -1.6407000000e-03  1.8043000000e-03  7.9880000000e-04  2.1117000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9823400000e-01 -4.4160200000e-01  4.8341400000e-01  4.8770000000e-02 -3.6835900000e-01 -8.8213700000e-01  4.9481800000e-01 -7.0687300000e-01 -2.6211670000e+00  1.3461320000e+00 -1.1434130000e+00 -2.5906880000e+00 -1.1295400000e-01 -1.3862800000e+00 -2.9131450000e+00
-ENERGY -1.526588461658e+02
-FORCES  4.1398000000e-03 -4.0087000000e-03 -1.3250600000e-02 -1.4823000000e-03  8.0630000000e-04 -2.6228000000e-03 -2.8006000000e-03 -3.9720000000e-04  1.0478200000e-02  1.9856000000e-03 -1.8674000000e-03  1.6510000000e-04 -5.3433000000e-03  1.7384000000e-03  1.3861000000e-03  3.5008000000e-03  3.7286000000e-03  3.8440000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2532400000e-01 -2.3867100000e-01 -5.5162000000e-02 -4.3059800000e-01 -5.5707200000e-01 -6.4845100000e-01  2.6951710000e+00 -5.6288200000e-01 -6.5109600000e-01  3.2710540000e+00  1.8835800000e-01 -5.0886500000e-01  3.1773630000e+00 -1.3066890000e+00 -2.8988600000e-01
-ENERGY -1.526614256931e+02
-FORCES  1.0589000000e-02 -4.2992000000e-03 -5.3109000000e-03 -8.9946000000e-03  2.3627000000e-03  3.8063000000e-03  9.5290000000e-04  1.2416000000e-03  2.0635000000e-03  2.5853000000e-03  1.1373000000e-03  1.2109000000e-03 -2.6679000000e-03 -4.6197000000e-03 -7.3300000000e-05 -2.4649000000e-03  4.1773000000e-03 -1.6966000000e-03
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5837200000e-01  8.6656200000e-01 -1.9202000000e-01  8.3533400000e-01 -2.3072000000e-02 -4.6681500000e-01 -3.2204700000e-01  2.7509060000e+00 -6.5296400000e-01 -1.2324370000e+00  2.9327620000e+00 -4.1983100000e-01  1.6849600000e-01  3.4945310000e+00 -3.0278900000e-01
-ENERGY -1.526592251548e+02
-FORCES  2.6399000000e-03  1.2086000000e-02 -4.9416000000e-03 -4.5159000000e-03 -7.1824000000e-03  2.1969000000e-03 -1.6245000000e-03 -1.2622000000e-03  1.8174000000e-03  1.3277000000e-03  2.2554000000e-03  3.4293000000e-03  5.3351000000e-03 -3.2643000000e-03 -1.9340000000e-04 -3.1624000000e-03 -2.6323000000e-03 -2.3085000000e-03
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3479000000e-01 -4.5676500000e-01  1.0355200000e-01 -5.8990500000e-01 -6.5841600000e-01 -3.6706000000e-01 -3.8637000000e-01  2.8960170000e+00  1.9815900000e-01 -1.9939800000e-01  1.9721370000e+00  3.1667000000e-02 -1.1593190000e+00  2.8864990000e+00  7.6268600000e-01
-ENERGY -1.526615623533e+02
-FORCES  8.5130000000e-04 -3.1454000000e-03 -1.0622000000e-03 -4.5079000000e-03  1.1541000000e-03 -9.0270000000e-04  3.3674000000e-03  2.1933000000e-03  2.2162000000e-03 -9.7920000000e-04 -1.0017600000e-02  1.2200000000e-03 -5.9610000000e-04  9.4293000000e-03  3.4740000000e-04  1.8646000000e-03  3.8630000000e-04 -1.8186000000e-03
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9898900000e-01  7.5702300000e-01  5.0374000000e-01  3.8150300000e-01  1.2417200000e-01 -8.6906200000e-01  1.4537370000e+00 -2.2301420000e+00  1.3910350000e+00  6.6677700000e-01 -2.7698020000e+00  1.4664860000e+00  1.1271220000e+00 -1.3604120000e+00  1.1605470000e+00
-ENERGY -1.526598044331e+02
-FORCES  1.1654000000e-03  3.7724000000e-03 -4.7138000000e-03  1.0480000000e-04 -6.0629000000e-03 -1.5002000000e-03 -1.9424000000e-03  1.1280000000e-04  4.6308000000e-03 -8.3528000000e-03  4.9704000000e-03 -4.4600000000e-03  2.9887000000e-03  7.2200000000e-04  2.9940000000e-04  6.0363000000e-03 -3.5146000000e-03  5.7437000000e-03
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2571900000e-01  5.1145100000e-01 -3.5774700000e-01 -1.1253800000e-01  5.4952000000e-02  9.4897200000e-01 -3.6334100000e-01  2.4834200000e-01  2.5709790000e+00 -1.2484600000e+00  6.0722900000e-01  2.6341910000e+00  2.0526900000e-01  9.5798000000e-01  2.8698590000e+00
-ENERGY -1.526568951657e+02
-FORCES -4.0329000000e-03  1.9468000000e-03  2.1364500000e-02  1.2416000000e-03 -9.4910000000e-04  3.0370000000e-03  5.6640000000e-04  1.3630000000e-03 -9.8794000000e-03  7.1140000000e-04  2.4243000000e-03 -8.9594000000e-03  5.6855000000e-03 -1.1193000000e-03 -2.6864000000e-03 -4.1720000000e-03 -3.6657000000e-03 -2.8763000000e-03
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9497100000e-01  9.3705800000e-01  1.1838000000e-02  6.7057700000e-01 -9.7079000000e-02 -6.7611700000e-01 -2.0889410000e+00 -1.6068420000e+00 -3.8787000000e-02 -1.3315830000e+00 -1.0214870000e+00 -3.8406000000e-02 -1.7289540000e+00 -2.4651910000e+00  1.8454800000e-01
-ENERGY -1.526594214373e+02
-FORCES -6.9323000000e-03 -3.5178000000e-03 -2.5726000000e-03  1.7501000000e-03 -5.1997000000e-03 -1.1354000000e-03 -3.5165000000e-03  1.2144000000e-03  3.7560000000e-03  1.5930700000e-02  9.9773000000e-03  1.4770000000e-03 -7.6082000000e-03 -5.1278000000e-03 -3.7360000000e-04  3.7630000000e-04  2.6535000000e-03 -1.1515000000e-03
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0640000000e-02 -8.3806700000e-01 -4.6200600000e-01 -6.9190000000e-03 -2.3696800000e-01  9.2737800000e-01 -3.7770200000e-01 -2.7191270000e+00 -3.6382200000e-01  2.7853300000e-01 -3.2942440000e+00  2.9660000000e-02 -4.5732600000e-01 -3.0280180000e+00 -1.2663060000e+00
-ENERGY -1.526585088868e+02
-FORCES -2.9350000000e-03 -1.5398000000e-02  1.6417000000e-03  1.7515000000e-03  7.4890000000e-03 -3.3271000000e-03  1.0103000000e-03  2.0566000000e-03 -1.3546000000e-03  2.1623000000e-03 -5.4410000000e-04  3.5790000000e-04 -3.5861000000e-03  3.0974000000e-03 -2.0442000000e-03  1.5970000000e-03  3.2991000000e-03  4.7262000000e-03
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5429200000e-01  5.8734000000e-01 -4.8025000000e-02  3.6265300000e-01 -8.3197600000e-01  3.0418700000e-01  1.3627590000e+00 -2.2999780000e+00  1.3199900000e+00  1.2471650000e+00 -3.2045750000e+00  1.0291760000e+00  1.1244710000e+00 -2.3135910000e+00  2.2469560000e+00
-ENERGY -1.526618887902e+02
-FORCES  7.2669000000e-03 -5.8357000000e-03  3.4255000000e-03 -2.5256000000e-03 -1.2911000000e-03  1.8800000000e-04 -5.5140000000e-03  7.1905000000e-03 -4.4317000000e-03 -6.4520000000e-04 -4.0164000000e-03  3.7554000000e-03  1.6550000000e-04  4.5320000000e-03  1.8467000000e-03  1.2524000000e-03 -5.7930000000e-04 -4.7840000000e-03
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9890200000e-01 -9.0175900000e-01  2.5199300000e-01 -8.2616700000e-01  1.9599800000e-01  4.4188900000e-01 -2.4497220000e+00  3.2439700000e-01  1.5246060000e+00 -3.1794040000e+00  7.6287100000e-01  1.0869560000e+00 -2.5969870000e+00  4.8563700000e-01  2.4565640000e+00
-ENERGY -1.526615711184e+02
-FORCES -8.1999000000e-03 -1.8188000000e-03  6.6832000000e-03 -2.8300000000e-05  2.5415000000e-03 -6.9170000000e-04  6.9502000000e-03 -2.6040000000e-04 -6.5953000000e-03 -1.6373000000e-03  2.1247000000e-03  2.4526000000e-03  3.7855000000e-03 -1.8696000000e-03  2.6764000000e-03 -8.7030000000e-04 -7.1730000000e-04 -4.5251000000e-03
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9212200000e-01  4.8799400000e-01 -4.4616300000e-01 -1.7692900000e-01  1.3012600000e-01  9.3166300000e-01 -2.0673750000e+00  1.8172760000e+00 -2.4134900000e-01 -2.8572560000e+00  1.4173930000e+00  1.2253700000e-01 -2.2990070000e+00  2.0256750000e+00 -1.1464170000e+00
-ENERGY -1.526578987703e+02
-FORCES -1.1210800000e-02  1.1701700000e-02  2.2338000000e-03  4.4380000000e-03 -6.0486000000e-03 -3.8560000000e-03  1.0531000000e-03 -2.1919000000e-03 -1.3821000000e-03 -1.6813000000e-03 -1.6489000000e-03  2.2020000000e-04  4.8978000000e-03  1.5933000000e-03 -1.9340000000e-03  2.5032000000e-03 -3.4057000000e-03  4.7181000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2760000000e-03 -9.0479300000e-01 -3.1224200000e-01 -7.4290400000e-01  4.0173300000e-01 -4.5048500000e-01  2.6037410000e+00  8.3822200000e-01 -6.2918700000e-01  2.2753300000e+00  1.3026840000e+00 -1.3990270000e+00  1.8182300000e+00  4.9754100000e-01 -2.0123700000e-01
-ENERGY -1.526595635307e+02
-FORCES -5.6180000000e-04  4.0340000000e-04 -4.1180000000e-03  7.8250000000e-04  5.5399000000e-03  1.1312000000e-03  3.4656000000e-03 -2.8726000000e-03  1.4897000000e-03 -1.4036700000e-02 -1.2008000000e-03  1.2438000000e-03  1.4379000000e-03 -9.4910000000e-04  1.3530000000e-03  8.9124000000e-03 -9.2080000000e-04 -1.0996000000e-03
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2396400000e-01  4.8447000000e-01 -3.9673300000e-01 -1.2360200000e-01  1.1290900000e-01  9.4244700000e-01 -2.0299300000e-01 -2.6776780000e+00 -3.0207000000e-01 -2.5667400000e-01 -1.7453990000e+00 -9.1814000000e-02 -1.6754500000e-01 -2.7064080000e+00 -1.2581810000e+00
-ENERGY -1.526586111924e+02
-FORCES -2.0839000000e-03 -1.9674000000e-03  5.3300000000e-04  3.7678000000e-03 -3.7678000000e-03  2.2716000000e-03 -6.1290000000e-04 -3.0908000000e-03 -6.2570000000e-03  2.7511000000e-03  1.7573000000e-02 -1.8184000000e-03 -3.0532000000e-03 -8.8821000000e-03  3.0402000000e-03 -7.6880000000e-04  1.3500000000e-04  2.2306000000e-03
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0850000000e-02 -9.0621800000e-01 -2.9996700000e-01 -2.6603800000e-01 -7.0768000000e-02  9.1675900000e-01  2.6660730000e+00  7.1928800000e-01 -5.3405600000e-01  1.7862780000e+00  5.0156800000e-01 -2.2617700000e-01  2.5358550000e+00  1.0371890000e+00 -1.4274840000e+00
-ENERGY -1.526611245272e+02
-FORCES -4.8680000000e-04 -3.1524000000e-03  1.6807000000e-03  9.4140000000e-04  5.6274000000e-03  1.9631000000e-03  2.1950000000e-03 -2.7090000000e-04 -4.9869000000e-03 -1.3499400000e-02 -4.6370000000e-04  4.0960000000e-04  1.0369400000e-02 -2.1260000000e-04 -1.3127000000e-03  4.8040000000e-04 -1.5278000000e-03  2.2461000000e-03
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7774700000e-01 -5.2650700000e-01  1.8474900000e-01 -1.3756000000e-01 -9.7525000000e-02 -9.4223000000e-01 -2.4465710000e+00  1.0337800000e-01  1.3698350000e+00 -2.7499430000e+00  1.0006750000e+00  1.5078740000e+00 -1.5751060000e+00  2.0103900000e-01  9.8611200000e-01
-ENERGY -1.526617054407e+02
-FORCES -5.8680000000e-04 -3.4280000000e-03 -8.3810000000e-04 -3.2002000000e-03  2.4280000000e-03 -2.4883000000e-03  1.6879000000e-03  3.5170000000e-04  4.5790000000e-03  9.7606000000e-03  1.5398000000e-03 -4.2578000000e-03  1.8021000000e-03 -2.5149000000e-03 -1.2399000000e-03 -9.4636000000e-03  1.6233000000e-03  4.2452000000e-03
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6669900000e-01  5.3950900000e-01 -4.2505900000e-01 -1.0409300000e-01  1.8148700000e-01  9.3405500000e-01 -2.3393280000e+00  1.9364980000e+00 -2.6723800000e-01 -2.9878360000e+00  1.2439490000e+00 -1.4056600000e-01 -2.2336160000e+00  1.9955320000e+00 -1.2167490000e+00
-ENERGY -1.526579272963e+02
-FORCES -6.5373000000e-03  8.0622000000e-03  3.4559000000e-03  3.8077000000e-03 -5.6386000000e-03 -3.5126000000e-03  1.2185000000e-03 -2.3833000000e-03 -2.3784000000e-03 -5.2327000000e-03 -1.0310000000e-04 -2.5573000000e-03  4.8794000000e-03  2.8838000000e-03 -7.2050000000e-04  1.8643000000e-03 -2.8209000000e-03  5.7129000000e-03
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2343500000e-01 -3.4407100000e-01  3.4612300000e-01 -4.0827000000e-02 -3.3219400000e-01 -8.9677900000e-01 -2.1951750000e+00  1.5047900000e-01  1.4653920000e+00 -2.5568790000e+00  1.0339350000e+00  1.5354470000e+00 -1.4213460000e+00  2.5123500000e-01  9.1107400000e-01
-ENERGY -1.526600820974e+02
-FORCES -5.9543000000e-03 -2.6438000000e-03  4.7828000000e-03 -3.3821000000e-03  1.2394000000e-03 -3.6419000000e-03  1.6186000000e-03  1.3860000000e-03  4.5834000000e-03  1.3192100000e-02  1.9050000000e-04 -8.5766000000e-03  2.6059000000e-03 -2.1915000000e-03 -1.5513000000e-03 -8.0801000000e-03  2.0194000000e-03  4.4036000000e-03
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4451100000e-01  9.2077900000e-01  2.1798000000e-01  8.7845500000e-01 -2.1753000000e-02 -3.7957200000e-01  2.2089550000e+00 -9.3719000000e-02 -1.4596760000e+00  2.8644730000e+00 -7.5030400000e-01 -1.2242510000e+00  2.1374330000e+00 -1.5676600000e-01 -2.4121150000e+00
-ENERGY -1.526595830307e+02
-FORCES  1.4227800000e-02  1.4405000000e-03 -9.3035000000e-03  1.2626000000e-03 -2.3049000000e-03 -1.5056000000e-03 -5.7424000000e-03 -3.6640000000e-04  7.1886000000e-03 -8.1573000000e-03 -1.6208000000e-03  6.7520000000e-04 -4.2269000000e-03  3.1442000000e-03 -1.5637000000e-03  2.6362000000e-03 -2.9260000000e-04  4.5089000000e-03
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2527400000e-01  6.2285900000e-01  4.7494000000e-02  2.0912000000e-01 -6.6252100000e-01  6.5845800000e-01 -9.9785400000e-01 -2.6087300000e-01 -2.6236220000e+00 -1.1526300000e-01 -2.4999000000e-02 -2.9093290000e+00 -9.0613000000e-01 -4.4584400000e-01 -1.6889550000e+00
-ENERGY -1.526591443231e+02
-FORCES  2.7994000000e-03  1.7630000000e-03 -6.6150000000e-04 -2.6888000000e-03 -3.8097000000e-03  3.1640000000e-04 -7.7250000000e-04  3.2863000000e-03 -3.7891000000e-03  7.0437000000e-03  1.4366000000e-03  1.1042900000e-02 -2.2102000000e-03 -1.5000000000e-06 -4.0460000000e-04 -4.1715000000e-03 -2.6747000000e-03 -6.5040000000e-03
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6579500000e-01 -2.9707300000e-01 -2.7996100000e-01 -5.9271600000e-01 -7.0262100000e-01 -2.6691400000e-01 -1.1312420000e+00 -2.2797940000e+00 -1.3480540000e+00 -1.9660390000e+00 -2.6196070000e+00 -1.0257600000e+00 -1.3481730000e+00 -1.8607340000e+00 -2.1808570000e+00
-ENERGY -1.526606152092e+02
-FORCES -1.3109000000e-03 -1.1550300000e-02 -5.2416000000e-03 -1.8518000000e-03  2.1368000000e-03  6.9170000000e-04  7.0730000000e-04  8.4648000000e-03  3.9600000000e-03 -2.8996000000e-03 -5.9160000000e-04 -3.3490000000e-03  4.3246000000e-03  3.2476000000e-03 -1.3362000000e-03  1.0304000000e-03 -1.7073000000e-03  5.2751000000e-03
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1311000000e-01 -6.3840100000e-01  1.2217000000e-02 -7.7863100000e-01 -5.1401500000e-01 -2.1390200000e-01 -1.6265020000e+00 -2.0910050000e+00 -1.7749420000e+00 -2.5035720000e+00 -2.3925910000e+00 -1.5382430000e+00 -1.6479100000e+00 -2.0157960000e+00 -2.7289420000e+00
-ENERGY -1.526593368357e+02
-FORCES -1.9133000000e-03 -7.4464000000e-03 -3.8862000000e-03 -1.3596000000e-03  2.9105000000e-03  6.4460000000e-04  2.7890000000e-03  5.0167000000e-03  5.2288000000e-03 -3.0963000000e-03 -1.2971000000e-03 -5.5443000000e-03  4.1759000000e-03  2.1214000000e-03 -6.3100000000e-04 -5.9570000000e-04 -1.3051000000e-03  4.1881000000e-03
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1880800000e-01 -1.2160400000e-01  4.8062200000e-01  6.1774600000e-01 -5.9590900000e-01  4.2369100000e-01  2.2304030000e+00 -1.5751190000e+00  4.0134900000e-01  2.9726150000e+00 -1.1359110000e+00 -1.3921000000e-02  2.4166190000e+00 -1.5262870000e+00  1.3389900000e+00
-ENERGY -1.526589256201e+02
-FORCES  7.9428000000e-03 -7.9826000000e-03  1.3597000000e-03  4.2217000000e-03 -1.0350000000e-03 -3.7070000000e-04 -8.5138000000e-03  6.3107000000e-03  3.2337000000e-03  3.2471000000e-03  4.1388000000e-03 -2.3585000000e-03 -2.8454000000e-03 -2.9757000000e-03  3.2438000000e-03 -4.0524000000e-03  1.5439000000e-03 -5.1080000000e-03
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7732300000e-01  3.6722100000e-01  1.0810000000e-01  5.7092500000e-01  5.9555500000e-01  4.8537600000e-01  3.2026030000e+00 -2.3753600000e-01 -7.9164800000e-01  3.2357140000e+00 -1.1915000000e+00 -8.6298500000e-01  3.0554940000e+00 -7.1471000000e-02  1.3948700000e-01
-ENERGY -1.526528570541e+02
-FORCES -8.2910000000e-04  4.9372000000e-03  1.1052000000e-03  3.8745000000e-03 -1.6536000000e-03 -7.4660000000e-04 -1.6190000000e-03 -3.2831000000e-03 -1.9910000000e-04 -2.5144000000e-03 -4.9101000000e-03  2.7351000000e-03  1.2741000000e-03  3.8858000000e-03  2.3110000000e-04 -1.8610000000e-04  1.0237000000e-03 -3.1257000000e-03
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3957000000e-01 -5.9478500000e-01  3.9168000000e-01 -3.2632000000e-02 -2.5589000000e-01 -9.2178500000e-01  6.1114000000e-02  2.0044680000e+00 -2.5789700000e+00  2.1281200000e-01  1.0595430000e+00 -2.5973510000e+00 -8.6404600000e-01  2.0946040000e+00 -2.3505270000e+00
-ENERGY -1.526506190274e+02
-FORCES  3.4992000000e-03 -2.8159000000e-03 -1.5115000000e-03 -2.8475000000e-03  2.7744000000e-03 -1.9133000000e-03 -2.4000000000e-04  2.3459000000e-03  8.2430000000e-04 -3.1951000000e-03 -2.5614000000e-03  3.4028000000e-03 -1.1606000000e-03  9.8600000000e-04  1.3381000000e-03  3.9440000000e-03 -7.2900000000e-04 -2.1404000000e-03
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6156700000e-01  4.7096900000e-01 -5.0670400000e-01 -9.0976000000e-02  3.4151500000e-01  8.8956300000e-01 -5.1731800000e-01  7.6037100000e-01  2.5763350000e+00 -1.4204610000e+00  1.0712410000e+00  2.6389830000e+00  1.2385000000e-02  1.5006820000e+00  2.8722850000e+00
-ENERGY -1.526595405001e+02
-FORCES -4.2742000000e-03  4.9059000000e-03  1.3701400000e-02  1.2681000000e-03 -9.1500000000e-04  2.5296000000e-03  2.7591000000e-03 -9.0350000000e-04 -1.0263700000e-02 -1.6863000000e-03  1.4342000000e-03 -1.7517000000e-03  5.3335000000e-03 -6.8280000000e-04 -1.1594000000e-03 -3.4002000000e-03 -3.8388000000e-03 -3.0562000000e-03
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3865500000e-01 -5.6193800000e-01  2.3419300000e-01 -3.0541100000e-01 -3.4271700000e-01 -8.3994100000e-01  2.0252020000e+00 -2.1576010000e+00  2.6840200000e-01  2.8121080000e+00 -1.7356460000e+00 -7.6511000000e-02  2.2769140000e+00 -2.4574280000e+00  1.1418870000e+00
-ENERGY -1.526608762330e+02
-FORCES  4.9997000000e-03 -9.5582000000e-03 -1.4034000000e-03 -4.2044000000e-03  8.7883000000e-03 -4.5430000000e-04  6.3280000000e-04  1.9530000000e-03  2.0794000000e-03  4.6518000000e-03 -2.3581000000e-03  2.1348000000e-03 -5.2410000000e-03 -9.8570000000e-04  2.2193000000e-03 -8.3890000000e-04  2.1606000000e-03 -4.5757000000e-03
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8838400000e-01  8.7235700000e-01 -3.4602900000e-01  7.6130500000e-01 -2.9670400000e-01 -4.9861100000e-01 -3.3769200000e-01  2.5135170000e+00 -4.0996200000e-01 -1.2244590000e+00  2.6773250000e+00 -8.8960000000e-02  2.1650500000e-01  3.0981580000e+00  1.0704200000e-01
-ENERGY -1.526570002669e+02
-FORCES -9.5720000000e-04  2.1196000000e-02 -5.0127000000e-03 -2.9159000000e-03 -8.3169000000e-03  4.6140000000e-04 -1.5602000000e-03  2.7851000000e-03  1.2374000000e-03  3.8946000000e-03 -1.2238900000e-02  7.2836000000e-03  5.5947000000e-03 -2.1129000000e-03 -1.1951000000e-03 -4.0559000000e-03 -1.3124000000e-03 -2.7747000000e-03
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9367200000e-01  1.9214000000e-01  4.9939900000e-01  8.1400000000e-03 -9.5381000000e-01 -8.0077000000e-02  4.7835000000e-02  7.0249400000e-01 -2.8919810000e+00  2.2418900000e-01 -1.8997700000e-01 -3.1896820000e+00  1.6842000000e-02  6.3542200000e-01 -1.9376370000e+00
-ENERGY -1.526604088055e+02
-FORCES -3.2890000000e-03 -3.4265000000e-03  3.3950000000e-03  3.9893000000e-03 -1.4988000000e-03 -2.6829000000e-03 -3.7720000000e-04  5.0443000000e-03 -8.7770000000e-04  9.3450000000e-04 -4.0068000000e-03  9.1200000000e-03 -7.1460000000e-04  2.2626000000e-03  1.1738000000e-03 -5.4310000000e-04  1.6253000000e-03 -1.0128200000e-02
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3207400000e-01 -3.2421700000e-01  3.4462600000e-01 -1.2755000000e-02 -2.9280000000e-01 -9.1122900000e-01  2.1942300000e-01 -4.6635700000e-01 -2.5600750000e+00  1.1024340000e+00 -8.3388500000e-01 -2.5220540000e+00 -3.0124200000e-01 -1.1378550000e+00 -3.0007910000e+00
-ENERGY -1.526560554559e+02
-FORCES  1.5237000000e-03 -3.6075000000e-03 -1.9858400000e-02 -1.6361000000e-03  3.0470000000e-04 -3.4755000000e-03  2.1400000000e-03 -1.1097000000e-03  9.6230000000e-03  5.4190000000e-04 -4.4020000000e-04  7.0118000000e-03 -6.1840000000e-03  1.4151000000e-03  3.0934000000e-03  3.6145000000e-03  3.4376000000e-03  3.6057000000e-03
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4972000000e-02  8.1988800000e-01  4.9375300000e-01  2.5585300000e-01  2.4985200000e-01 -8.8788800000e-01  2.9851600000e-01  2.6752420000e+00  6.5517200000e-01 -5.2841500000e-01  3.0254730000e+00  3.2387900000e-01  3.3692300000e-01  2.9705390000e+00  1.5648740000e+00
-ENERGY -1.526595059291e+02
-FORCES  4.4397000000e-03  1.4783100000e-02  1.0992000000e-03 -3.8398000000e-03 -8.2135000000e-03  8.4200000000e-05 -1.6999000000e-03 -1.4616000000e-03  1.4958000000e-03 -2.1687000000e-03  8.5090000000e-04  1.9980000000e-04  4.4943000000e-03 -3.2733000000e-03  2.0158000000e-03 -1.2257000000e-03 -2.6857000000e-03 -4.8947000000e-03
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2988900000e-01  5.4238700000e-01 -4.7464600000e-01  3.4725300000e-01 -4.7314000000e-02  8.9073500000e-01  3.3625300000e-01  1.0156700000e-01  2.8296000000e+00  1.0821840000e+00  6.6453900000e-01  3.0366790000e+00  5.4981700000e-01 -7.3867900000e-01  3.2353190000e+00
-ENERGY -1.526594500015e+02
-FORCES  2.1804000000e-03  1.6966000000e-03  1.0130600000e-02 -1.4603000000e-03 -1.4053000000e-03  2.9767000000e-03  1.7214000000e-03 -9.0920000000e-04 -1.0981100000e-02  1.4288000000e-03 -5.0060000000e-04  3.9686000000e-03 -3.4242000000e-03 -3.6080000000e-03 -3.0380000000e-03 -4.4610000000e-04  4.7265000000e-03 -3.0568000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7560500000e-01 -3.5404200000e-01  1.5557200000e-01  5.7259500000e-01 -7.6705100000e-01  5.3200000000e-04  3.0575680000e+00  1.0173470000e+00 -1.8999090000e+00  3.0394580000e+00  7.9313200000e-01 -9.6951600000e-01  3.9127540000e+00  1.4267000000e+00 -2.0315150000e+00
-ENERGY -1.526538061292e+02
-FORCES -2.2722000000e-03 -4.7958000000e-03 -4.0380000000e-04  3.5949000000e-03  1.4331000000e-03 -5.4550000000e-04 -1.4711000000e-03  3.7521000000e-03  8.0320000000e-04  2.5895000000e-03  1.6866000000e-03  3.7973000000e-03  1.1460000000e-03 -4.0460000000e-04 -4.0678000000e-03 -3.5871000000e-03 -1.6714000000e-03  4.1650000000e-04
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1133700000e-01 -9.5042700000e-01 -2.2895000000e-02 -9.0430500000e-01  1.2887200000e-01  2.8610700000e-01  3.9998700000e-01 -2.8386510000e+00  4.5289200000e-01  1.2041710000e+00 -3.3462300000e+00  3.4387900000e-01 -2.8481800000e-01 -3.3896440000e+00  7.3840000000e-02
-ENERGY -1.526607256451e+02
-FORCES -4.4580000000e-04 -9.7930000000e-03  3.2105000000e-03 -2.8748000000e-03  9.3590000000e-03 -3.0674000000e-03  2.4358000000e-03 -9.0560000000e-04 -1.2288000000e-03  2.1803000000e-03 -3.6600000000e-03 -8.6770000000e-04 -4.6676000000e-03  1.3916000000e-03  3.5500000000e-04  3.3722000000e-03  3.6080000000e-03  1.5984000000e-03
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2677300000e-01 -9.2827800000e-01  5.5733000000e-02 -7.6357800000e-01  9.5109000000e-02  5.6932800000e-01 -2.3660360000e+00  2.3613200000e-01  1.5237640000e+00 -3.1875470000e+00  6.5519000000e-01  1.2673620000e+00 -2.2192660000e+00  5.2648500000e-01  2.4239790000e+00
-ENERGY -1.526616377776e+02
-FORCES -9.9494000000e-03 -1.6319000000e-03  5.7372000000e-03 -8.6800000000e-04  2.6908000000e-03  3.3230000000e-04  9.6441000000e-03 -7.6240000000e-04 -3.4663000000e-03 -1.5041000000e-03  2.8457000000e-03 -6.5740000000e-04  3.4284000000e-03 -1.8457000000e-03  3.0178000000e-03 -7.5100000000e-04 -1.2965000000e-03 -4.9636000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0745500000e-01  2.9892200000e-01  5.8338000000e-02  4.9977100000e-01  6.5311300000e-01  4.8980000000e-01 -1.6841630000e+00  1.1493690000e+00  2.9942090000e+00 -2.5432190000e+00  8.9967600000e-01  3.3346600000e+00 -1.8532550000e+00  1.4211110000e+00  2.0921020000e+00
-ENERGY -1.526526254689e+02
-FORCES -8.9400000000e-04  2.9563000000e-03  3.7760000000e-03  2.7609000000e-03  1.7740000000e-04  6.4800000000e-05 -2.4926000000e-03 -2.2284000000e-03 -3.2287000000e-03 -4.9717000000e-03 -4.1100000000e-04 -1.0480000000e-03  3.7470000000e-03  1.2321000000e-03 -1.6456000000e-03  1.8505000000e-03 -1.7263000000e-03  2.0816000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1554600000e-01 -4.8929900000e-01  1.0818200000e-01 -6.1947600000e-01 -6.4038700000e-01 -3.4983700000e-01 -6.5566600000e-01  2.8065130000e+00 -7.9453000000e-02 -1.4978340000e+00  2.8299820000e+00  3.7489700000e-01 -5.3905000000e-01  1.8877760000e+00 -3.2143400000e-01
-ENERGY -1.526598212435e+02
-FORCES  3.1940000000e-03 -2.4267000000e-03  4.6740000000e-04 -4.6397000000e-03  6.0490000000e-04 -6.3260000000e-04  2.7654000000e-03  3.9373000000e-03  1.6705000000e-03  5.5840000000e-04 -9.9243000000e-03  2.1559000000e-03  2.2469000000e-03 -2.9680000000e-04 -1.7169000000e-03 -4.1250000000e-03  8.1055000000e-03 -1.9443000000e-03
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4899900000e-01  4.3972400000e-01  4.5555000000e-02  5.9962400000e-01  5.8769500000e-01  4.5967100000e-01  1.4058750000e+00  1.9121150000e+00  1.6568140000e+00  2.1871110000e+00  2.3779400000e+00  1.3586380000e+00  1.5733570000e+00  1.7299750000e+00  2.5814800000e+00
-ENERGY -1.526617735620e+02
-FORCES  2.6574000000e-03  8.8107000000e-03  6.3583000000e-03  2.0150000000e-03 -1.7103000000e-03 -3.0810000000e-04 -3.5420000000e-03 -6.4717000000e-03 -6.3218000000e-03  2.6439000000e-03  1.7180000000e-04  2.8002000000e-03 -3.7161000000e-03 -2.6563000000e-03  1.9810000000e-03 -5.8300000000e-05  1.8559000000e-03 -4.5097000000e-03
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6733900000e-01 -9.4245800000e-01  1.5350000000e-03 -9.1618400000e-01  8.1499000000e-02  2.6494800000e-01  2.6003600000e-01 -1.6567090000e+00 -2.8838460000e+00  8.9243000000e-01 -2.2232000000e+00 -2.4418070000e+00  1.2135100000e-01 -2.0707090000e+00 -3.7356690000e+00
-ENERGY -1.526526614228e+02
-FORCES -4.1101000000e-03 -4.1535000000e-03 -1.8411000000e-03  7.5490000000e-04  3.0299000000e-03  1.4163000000e-03  3.6450000000e-03  4.4700000000e-05 -3.1150000000e-04  2.8343000000e-03 -3.3337000000e-03 -2.6178000000e-03 -3.5215000000e-03  2.2837000000e-03 -4.4320000000e-04  3.9730000000e-04  2.1290000000e-03  3.7973000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3549700000e-01 -9.4754900000e-01  4.8150000000e-03 -8.2800600000e-01  3.6243500000e-01  3.1508400000e-01  2.2452520000e+00  1.5809160000e+00  3.3339200000e-01  1.4859820000e+00  1.0154410000e+00  1.9204300000e-01  1.9927880000e+00  2.4215780000e+00 -4.8421000000e-02
-ENERGY -1.526608140155e+02
-FORCES  1.4568000000e-03 -1.1830000000e-04  2.2273000000e-03 -1.2424000000e-03  4.7717000000e-03  3.1980000000e-04  3.7919000000e-03 -2.3669000000e-03 -1.9419000000e-03 -1.0628600000e-02 -6.1634000000e-03 -3.1137000000e-03  6.9920000000e-03  6.4083000000e-03  1.1152000000e-03 -3.6970000000e-04 -2.5313000000e-03  1.3933000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4973400000e-01  5.7467400000e-01 -1.5453300000e-01 -3.5085000000e-02 -9.8091000000e-02  9.5151400000e-01  6.9637800000e-01  2.7939000000e-02  2.7885530000e+00  1.4113870000e+00  6.6099100000e-01  2.8536560000e+00  9.7275900000e-01 -7.0382900000e-01  3.3402430000e+00
-ENERGY -1.526597905840e+02
-FORCES  4.5948000000e-03  1.2312000000e-03  1.0979400000e-02 -1.7768000000e-03 -1.1186000000e-03  2.3300000000e-05 -2.9746000000e-03 -3.7100000000e-05 -8.4055000000e-03  3.8803000000e-03 -7.7470000000e-04  4.7080000000e-04 -3.0730000000e-03 -3.4120000000e-03 -7.6100000000e-04 -6.5070000000e-04  4.1111000000e-03 -2.3070000000e-03
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9012400000e-01  3.0823200000e-01  1.7001000000e-01  5.6216500000e-01  7.1890300000e-01  2.8875700000e-01  4.1502400000e-01 -6.4608000000e-01 -2.6688110000e+00 -1.8301000000e-01  8.7630000000e-03 -3.0290440000e+00  5.6461200000e-01 -3.6388100000e-01 -1.7664700000e+00
-ENERGY -1.526583022234e+02
-FORCES -4.1337000000e-03  1.2464000000e-03 -1.1980000000e-03  4.9556000000e-03 -3.4850000000e-04 -3.3450000000e-04 -2.8529000000e-03 -3.8339000000e-03 -4.1505000000e-03 -4.1944000000e-03  4.7013000000e-03  1.2754600000e-02  1.3284000000e-03 -1.7467000000e-03  9.7320000000e-04  4.8970000000e-03 -1.8600000000e-05 -8.0447000000e-03
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9910900000e-01 -2.6574800000e-01 -4.5501000000e-01 -9.2119000000e-02  9.3134100000e-01 -2.0087400000e-01 -6.3119200000e-01  2.5591850000e+00 -6.0082600000e-01 -1.5743350000e+00  2.7042220000e+00 -5.2547700000e-01 -2.3662900000e-01  3.3156360000e+00 -1.6685000000e-01
-ENERGY -1.526609815677e+02
-FORCES -1.8725000000e-03  1.3799400000e-02 -4.7074000000e-03 -2.0156000000e-03  2.2911000000e-03  1.1303000000e-03  2.9000000000e-03 -9.6217000000e-03  2.4928000000e-03 -1.7836000000e-03 -3.3684000000e-03  3.1501000000e-03  5.3316000000e-03  7.2990000000e-04  1.0570000000e-04 -2.5600000000e-03 -3.8303000000e-03 -2.1715000000e-03
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1117100000e-01 -8.9123200000e-01  1.5845900000e-01 -9.2454400000e-01 -2.1137000000e-02  2.4698900000e-01  3.0651100000e-01 -2.6253720000e+00  7.5726800000e-01  1.1411790000e+00 -2.9098650000e+00  3.8494400000e-01 -3.4664300000e-01 -3.1857150000e+00  3.3817700000e-01
-ENERGY -1.526585690630e+02
-FORCES -1.7070000000e-03 -1.5154200000e-02  6.7273000000e-03  3.3332000000e-03  7.2385000000e-03 -4.9289000000e-03  1.6997000000e-03  6.2430000000e-04 -1.4456000000e-03 -1.5792000000e-03 -6.0800000000e-05 -3.2469000000e-03 -5.3277000000e-03  4.1180000000e-03  7.4470000000e-04  3.5810000000e-03  3.2343000000e-03  2.1494000000e-03
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1591900000e-01 -2.7805500000e-01 -3.1860000000e-03 -4.6388700000e-01 -6.9657900000e-01 -4.6456200000e-01 -1.7364290000e+00 -2.1809770000e+00 -1.4462740000e+00 -2.4467590000e+00 -2.7884180000e+00 -1.2396860000e+00 -1.9781460000e+00 -1.8085460000e+00 -2.2942710000e+00
-ENERGY -1.526610342755e+02
-FORCES -9.6350000000e-04 -6.6365000000e-03 -2.4894000000e-03 -3.0199000000e-03  9.4850000000e-04 -1.1050000000e-04  5.6413000000e-03  7.5665000000e-03  2.5501000000e-03 -5.6618000000e-03 -2.5262000000e-03 -1.8728000000e-03  2.7270000000e-03  2.3874000000e-03 -2.3535000000e-03  1.2769000000e-03 -1.7397000000e-03  4.2760000000e-03
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0868500000e-01 -8.8125200000e-01 -3.5751000000e-01 -2.8906100000e-01 -1.4074200000e-01  9.0159100000e-01 -1.3283800000e-01 -7.7937300000e-01  2.7547360000e+00 -1.1895700000e-01 -1.7277380000e+00  2.6257310000e+00 -9.5391100000e-01 -6.1210800000e-01  3.2174380000e+00
-ENERGY -1.526587546896e+02
-FORCES  2.3200000000e-04 -4.8312000000e-03  1.0857700000e-02 -4.1920000000e-04  2.1389000000e-03  1.6250000000e-03 -2.1936000000e-03  1.7405000000e-03 -9.7662000000e-03 -8.2850000000e-04 -3.6960000000e-03  2.4477000000e-03 -8.8180000000e-04  5.4564000000e-03 -1.0335000000e-03  4.0911000000e-03 -8.0870000000e-04 -4.1307000000e-03
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2930500000e-01  2.3345900000e-01 -8.9952700000e-01 -8.0887300000e-01 -3.5393500000e-01  3.6971200000e-01 -2.4983960000e+00 -8.0990300000e-01  4.7878100000e-01 -2.5203940000e+00 -1.6919230000e+00  1.0758400000e-01 -2.8485670000e+00 -9.1311500000e-01  1.3636310000e+00
-ENERGY -1.526588141592e+02
-FORCES -1.8527100000e-02 -3.0360000000e-03  1.3434000000e-03  1.1524000000e-03 -1.2955000000e-03  1.6531000000e-03  8.8723000000e-03 -4.3260000000e-04 -1.8400000000e-04  4.0730000000e-03 -4.5930000000e-04 -2.9600000000e-04  1.3894000000e-03  5.4494000000e-03  2.4725000000e-03  3.0400000000e-03 -2.2600000000e-04 -4.9889000000e-03
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7269300000e-01  9.4072000000e-01 -3.8147000000e-02  7.9057500000e-01 -1.2039300000e-01 -5.2605000000e-01 -2.2652000000e+00 -1.4595770000e+00  1.1523500000e-01 -1.4195730000e+00 -1.0112140000e+00  1.0438500000e-01 -2.0736510000e+00 -2.3244080000e+00  4.7801200000e-01
-ENERGY -1.526606614881e+02
-FORCES -4.4868000000e-03 -1.4298000000e-03 -2.4137000000e-03  2.1020000000e-03 -4.8446000000e-03 -5.7440000000e-04 -3.4234000000e-03  1.9632000000e-03  2.8311000000e-03  1.3361000000e-02  6.0972000000e-03  2.5990000000e-04 -8.4120000000e-03 -4.4099000000e-03  1.2726000000e-03  8.5920000000e-04  2.6240000000e-03 -1.3755000000e-03
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9955500000e-01  3.7817400000e-01 -3.6596100000e-01  3.2588000000e-02  3.3029000000e-01  8.9781900000e-01 -3.7366800000e-01 -2.5801530000e+00 -4.0360100000e-01 -3.3246400000e-01 -1.6596990000e+00 -1.4418200000e-01 -1.2241400000e-01 -2.5806520000e+00 -1.3272370000e+00
-ENERGY -1.526582132008e+02
-FORCES -2.0456000000e-03 -5.5144000000e-03  5.1840000000e-04  4.3516000000e-03 -4.4677000000e-03  2.4301000000e-03 -1.4180000000e-03 -2.2590000000e-03 -5.3020000000e-03  5.6494000000e-03  1.9390600000e-02  1.4000000000e-03 -5.1213000000e-03 -7.7527000000e-03 -1.0827000000e-03 -1.4162000000e-03  6.0320000000e-04  2.0362000000e-03
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.6336000000e-02  9.0778200000e-01  2.8789400000e-01  2.0830500000e-01  2.1058000000e-02 -9.3402200000e-01  2.3364500000e-01  7.8217100000e-01 -2.5947330000e+00 -5.3990000000e-03  1.7063560000e+00 -2.5242300000e+00  1.0016780000e+00  7.7584300000e-01 -3.1659750000e+00
-ENERGY -1.526585590780e+02
-FORCES  2.3404000000e-03  6.1284000000e-03 -1.4361400000e-02 -7.6010000000e-04 -1.6915000000e-03 -8.6030000000e-04 -1.8390000000e-04 -3.1619000000e-03  7.9911000000e-03  7.3900000000e-05  2.4917000000e-03  3.6512000000e-03  2.4704000000e-03 -4.5032000000e-03  1.7600000000e-05 -3.9408000000e-03  7.3640000000e-04  3.5618000000e-03
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2051500000e-01 -9.1235800000e-01  1.8764000000e-01 -7.8335300000e-01  1.7003900000e-01  5.2314000000e-01 -2.4300580000e+00  6.4727000000e-02  1.6740340000e+00 -3.2103440000e+00  5.5989700000e-01  1.4246490000e+00 -2.3354470000e+00  2.2295500000e-01  2.6133130000e+00
-ENERGY -1.526617360603e+02
-FORCES -8.0139000000e-03 -2.8958000000e-03  5.9864000000e-03  6.2000000000e-05  2.6768000000e-03 -5.1550000000e-04  8.1623000000e-03  8.5580000000e-04 -5.5182000000e-03 -3.1598000000e-03  2.2116000000e-03  2.7410000000e-03  3.8953000000e-03 -2.1718000000e-03  2.0228000000e-03 -9.4590000000e-04 -6.7660000000e-04 -4.7164000000e-03
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5535100000e-01  1.4450100000e-01  4.0463100000e-01  2.7473000000e-02 -9.4092100000e-01 -1.7362100000e-01  4.6925500000e-01 -2.7657480000e+00  1.7956000000e-01  1.3897640000e+00 -2.9744820000e+00  2.0422000000e-02 -1.4049000000e-02 -3.3551180000e+00 -3.9948400000e-01
-ENERGY -1.526602884009e+02
-FORCES -3.1010000000e-04 -1.2043100000e-02  2.7788000000e-03  2.2399000000e-03 -9.7920000000e-04 -1.5489000000e-03 -2.5214000000e-03  9.5177000000e-03 -3.1705000000e-03  3.6692000000e-03 -1.3920000000e-03 -6.6370000000e-04 -5.3291000000e-03  3.3300000000e-04  7.5400000000e-05  2.2515000000e-03  4.5635000000e-03  2.5288000000e-03
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0096200000e-01 -8.6317500000e-01 -3.6162700000e-01 -1.6878800000e-01 -8.7600000000e-02  9.3812000000e-01 -5.4367700000e-01 -2.6557880000e+00 -5.4963600000e-01  2.1870200000e-01 -3.2154110000e+00 -4.0187400000e-01 -6.6251500000e-01 -2.6579820000e+00 -1.4994280000e+00
-ENERGY -1.526597307220e+02
-FORCES -4.3574000000e-03 -1.5159000000e-02  9.6590000000e-04  1.8521000000e-03  9.0648000000e-03 -3.0004000000e-03  1.1603000000e-03  8.1520000000e-04 -2.0540000000e-03  3.5461000000e-03 -2.3050000000e-04 -6.5080000000e-04 -4.2580000000e-03  2.9370000000e-03 -1.2108000000e-03  2.0569000000e-03  2.5724000000e-03  5.9501000000e-03
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4001600000e-01  7.5774900000e-01  5.3332900000e-01  3.5370500000e-01  1.9552200000e-01 -8.6769600000e-01  5.3746700000e-01  2.7954660000e+00  4.7299800000e-01 -2.9538000000e-01  3.1794200000e+00  1.9881500000e-01  6.7178100000e-01  3.1234710000e+00  1.3621570000e+00
-ENERGY -1.526599370586e+02
-FORCES  4.9258000000e-03  1.1638000000e-02 -6.7320000000e-04 -2.3966000000e-03 -7.9886000000e-03  1.4835000000e-03 -1.9729000000e-03 -1.9235000000e-03  1.4921000000e-03 -3.6188000000e-03  3.1665000000e-03  1.7300000000e-04  4.5206000000e-03 -1.7388000000e-03  1.7365000000e-03 -1.4580000000e-03 -3.1536000000e-03 -4.2121000000e-03
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2242000000e-01 -3.8085400000e-01  3.0790900000e-01 -2.4460000000e-02 -2.0526600000e-01 -9.3461200000e-01  4.0515600000e-01 -5.2759700000e-01 -2.6531570000e+00  1.2991810000e+00 -8.6438000000e-01 -2.7125470000e+00 -9.7590000000e-02 -1.0734870000e+00 -3.2577090000e+00
-ENERGY -1.526593553900e+02
-FORCES  3.4258000000e-03 -3.8172000000e-03 -1.4019700000e-02 -1.6505000000e-03  9.0150000000e-04 -1.5448000000e-03 -1.1784000000e-03  1.3841000000e-03  9.1733000000e-03  9.0690000000e-04 -1.8519000000e-03  2.5073000000e-03 -5.0303000000e-03  9.5090000000e-04  8.6040000000e-04  3.5264000000e-03  2.4325000000e-03  3.0235000000e-03
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0334000000e-01  2.1000100000e-01 -2.3687100000e-01  4.4768000000e-02 -2.4352800000e-01  9.2462000000e-01  2.7463860000e+00  6.3361500000e-01 -3.8238000000e-01  2.7051770000e+00  1.5400040000e+00 -7.7433000000e-02  2.8420870000e+00  7.0407600000e-01 -1.3321740000e+00
-ENERGY -1.526606643519e+02
-FORCES  1.3265100000e-02  2.2800000000e-04  1.3826000000e-03 -1.0477400000e-02  5.9500000000e-04 -9.0170000000e-04 -3.9670000000e-04  1.3249000000e-03 -2.3984000000e-03  1.5261000000e-03  3.6645000000e-03 -1.9157000000e-03 -1.4275000000e-03 -5.6263000000e-03 -1.8108000000e-03 -2.4895000000e-03 -1.8610000000e-04  5.6440000000e-03
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4734600000e-01 -3.4023700000e-01  4.9187800000e-01 -2.9446300000e-01  5.2770000000e-03 -9.1076600000e-01 -2.7247530000e+00 -6.7945600000e-01  8.1253100000e-01 -2.8791930000e+00 -1.5727450000e+00  5.0526000000e-01 -2.9113930000e+00 -7.1276300000e-01  1.7507680000e+00
-ENERGY -1.526600393564e+02
-FORCES -1.1867400000e-02 -1.2698000000e-03  2.2430000000e-04  9.3858000000e-03 -4.4100000000e-05 -7.8360000000e-04  1.8618000000e-03 -5.3350000000e-04  2.0067000000e-03 -3.4378000000e-03 -2.6568000000e-03  2.0775000000e-03  2.0780000000e-03  4.9000000000e-03  1.5002000000e-03  1.9796000000e-03 -3.9580000000e-04 -5.0251000000e-03
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6050000000e-01  5.8081000000e-01 -2.3039000000e-02  2.3678400000e-01 -6.8055500000e-01  6.3008700000e-01  1.4647100000e+00 -2.1314520000e+00  1.3323490000e+00  1.3021380000e+00 -2.4227710000e+00  2.2295310000e+00  1.1712990000e+00 -2.8608240000e+00  7.8631100000e-01
-ENERGY -1.526608130005e+02
-FORCES  8.6360000000e-03 -5.2913000000e-03  5.7892000000e-03 -2.7415000000e-03 -8.0290000000e-04 -4.3210000000e-04 -6.7964000000e-03  4.9115000000e-03 -4.1406000000e-03  3.7210000000e-04 -4.9923000000e-03  1.0830000000e-04 -3.0200000000e-05  1.8273000000e-03 -4.9578000000e-03  5.5990000000e-04  4.3476000000e-03  3.6330000000e-03
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6129000000e-02 -9.1085700000e-01 -2.9306800000e-01 -8.3166000000e-02 -5.6464000000e-02  9.5190700000e-01 -3.2888940000e+00  2.8051300000e-01  2.7271700000e-01 -4.2159150000e+00  5.1875600000e-01  2.8297000000e-01 -2.8663570000e+00  9.3657100000e-01  8.2704800000e-01
-ENERGY -1.526538454001e+02
-FORCES -2.1850000000e-03 -5.4941000000e-03  1.5020000000e-03  1.4180000000e-03  3.5339000000e-03  1.2879000000e-03  8.6200000000e-05  1.4789000000e-03 -3.3873000000e-03 -7.5650000000e-04  4.7394000000e-03  1.4386000000e-03  4.1344000000e-03 -1.1297000000e-03 -2.9920000000e-04 -2.6971000000e-03 -3.1284000000e-03 -5.4200000000e-04
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1270100000e-01 -2.8498900000e-01  4.4609000000e-02 -4.4858700000e-01 -7.0392000000e-01 -4.6850700000e-01 -3.3169170000e+00 -2.7038700000e-01  4.9307300000e-01 -3.1167330000e+00  6.2371600000e-01  7.7008900000e-01 -3.2408960000e+00 -2.4877800000e-01 -4.6085900000e-01
-ENERGY -1.526551799001e+02
-FORCES  1.3893000000e-03 -5.1589000000e-03 -6.1350000000e-04 -3.9194000000e-03  1.0275000000e-03 -9.6400000000e-05  2.4808000000e-03  3.6651000000e-03 -5.9000000000e-05  2.2632000000e-03  5.4867000000e-03 -1.5662000000e-03 -2.7445000000e-03 -3.6158000000e-03 -1.1614000000e-03  5.3060000000e-04 -1.4046000000e-03  3.4964000000e-03
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8474000000e-01  3.6065800000e-01  5.8251000000e-02  5.2710700000e-01  5.6485700000e-01  5.6509000000e-01  3.7976000000e-01 -9.3937300000e-01 -2.8574340000e+00 -3.5934300000e-01 -4.5589300000e-01 -3.2264930000e+00  4.8984500000e-01 -5.7560900000e-01 -1.9789180000e+00
-ENERGY -1.526602839890e+02
-FORCES -2.1927000000e-03  3.2155000000e-03  4.1525000000e-03  4.5562000000e-03 -1.0910000000e-03 -6.5610000000e-04 -3.0559000000e-03 -2.4432000000e-03 -2.7215000000e-03 -2.5036000000e-03  4.1997000000e-03  7.3759000000e-03  1.9174000000e-03 -1.5164000000e-03  1.1523000000e-03  1.2785000000e-03 -2.3647000000e-03 -9.3031000000e-03
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1306300000e-01  3.3906100000e-01  3.7442900000e-01  6.7767900000e-01  5.9667800000e-01  3.1773800000e-01  2.7067830000e+00 -9.0926000000e-01  2.3882410000e+00  2.8707410000e+00 -1.8517300000e+00  2.4214070000e+00  1.8267650000e+00 -8.0587300000e-01  2.7503320000e+00
-ENERGY -1.526553545304e+02
-FORCES  6.5970000000e-04  4.2407000000e-03  1.5669000000e-03  3.5705000000e-03 -1.7931000000e-03 -8.5910000000e-04 -4.5007000000e-03 -2.0414000000e-03 -1.1150000000e-03 -3.3441000000e-03 -4.9361000000e-03  8.4320000000e-04 -3.0920000000e-04  3.8200000000e-03  5.1120000000e-04  3.9238000000e-03  7.1000000000e-04 -9.4710000000e-04
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3767100000e-01 -4.5965900000e-01  5.7023000000e-02 -2.4584300000e-01 -6.2764000000e-02 -9.2295900000e-01  4.2933800000e-01  2.7067060000e+00  3.9960500000e-01  3.0795000000e-01  1.8082460000e+00  9.2576000000e-02  1.9682500000e-01  2.6766590000e+00  1.3276500000e+00
-ENERGY -1.526600788178e+02
-FORCES  2.3925000000e-03 -5.8570000000e-04 -1.2517000000e-03 -4.6079000000e-03  3.1678000000e-03 -7.8190000000e-04  2.7631000000e-03  2.6738000000e-03  5.4386000000e-03 -3.9269000000e-03 -1.5165600000e-02  1.6389000000e-03  2.1955000000e-03  9.1542000000e-03 -2.9361000000e-03  1.1837000000e-03  7.5550000000e-04 -2.1078000000e-03
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6281100000e-01 -4.8867000000e-01  3.0911700000e-01 -3.1336000000e-02 -1.7391600000e-01 -9.4074600000e-01 -2.2749730000e+00  1.1700200000e-01  1.4570320000e+00 -2.6436330000e+00  9.8214400000e-01  1.2785660000e+00 -1.4529300000e+00  1.0067000000e-01  9.6691900000e-01
-ENERGY -1.526608147081e+02
-FORCES -4.0056000000e-03 -2.5631000000e-03  1.5919000000e-03 -3.6989000000e-03  2.1549000000e-03 -2.9419000000e-03  1.5003000000e-03  7.1120000000e-04  4.7478000000e-03  1.2471000000e-02  1.4243000000e-03 -8.3351000000e-03  1.5442000000e-03 -2.3912000000e-03 -5.3980000000e-04 -7.8111000000e-03  6.6380000000e-04  5.4771000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5291000000e-02  9.5491400000e-01 -1.0399000000e-02  8.6393000000e-01 -1.8550000000e-01 -3.6803000000e-01 -1.8834200000e-01  2.7633880000e+00 -3.8044900000e-01 -1.0616390000e+00  3.0897860000e+00 -1.6354200000e-01  4.0962900000e-01  3.3626240000e+00  6.6294000000e-02
-ENERGY -1.526610420950e+02
-FORCES  1.7113000000e-03  1.2841100000e-02 -3.6739000000e-03 -4.4390000000e-04 -9.8733000000e-03  2.8408000000e-03 -2.0167000000e-03  8.2670000000e-04  1.4003000000e-03 -1.1085000000e-03  1.1331000000e-03  1.9907000000e-03  5.2375000000e-03 -1.7521000000e-03 -3.3090000000e-04 -3.3798000000e-03 -3.1755000000e-03 -2.2270000000e-03
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6319800000e-01  9.2937800000e-01  1.6079500000e-01  1.9283200000e-01 -1.2015700000e-01 -9.2984400000e-01  7.3289600000e-01  8.7012100000e-01 -2.5870210000e+00  1.6542820000e+00  9.3835100000e-01 -2.8372680000e+00  4.0539500000e-01  1.7685260000e+00 -2.6299400000e+00
-ENERGY -1.526588738818e+02
-FORCES  4.2401000000e-03  6.0586000000e-03 -1.1531800000e-02 -1.0609000000e-03 -1.5351000000e-03  1.0390000000e-03 -2.1461000000e-03 -4.1038000000e-03  6.4068000000e-03  1.1062000000e-03  3.1955000000e-03  1.5183000000e-03 -4.6562000000e-03  3.8650000000e-04  1.5983000000e-03  2.5170000000e-03 -4.0018000000e-03  9.6940000000e-04
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6016900000e-01  8.6925400000e-01 -3.6739000000e-01 -8.0473700000e-01 -4.8723800000e-01 -1.7671700000e-01 -2.1534620000e+00 -1.6697550000e+00 -3.5445600000e-01 -1.8195440000e+00 -2.5666650000e+00 -3.3764500000e-01 -2.2615330000e+00 -1.4713050000e+00 -1.2846010000e+00
-ENERGY -1.526592833725e+02
-FORCES -1.2038500000e-02 -6.7897000000e-03 -1.6620000000e-04 -1.2634000000e-03 -3.8085000000e-03  5.0500000000e-05  8.3558000000e-03  7.2713000000e-03 -3.5605000000e-03  3.5557000000e-03 -3.1663000000e-03 -1.5387000000e-03 -2.0884000000e-03  5.0724000000e-03 -9.3450000000e-04  3.4788000000e-03  1.4209000000e-03  6.1495000000e-03
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7054100000e-01  4.9107600000e-01 -2.8520600000e-01  3.5552100000e-01 -7.9556500000e-01  3.9612200000e-01  1.7623230000e+00  1.0926010000e+00  2.4483070000e+00  1.6658530000e+00  1.9860680000e+00  2.7779150000e+00  2.0525820000e+00  1.2009450000e+00  1.5426340000e+00
-ENERGY -1.526515270634e+02
-FORCES  4.4185000000e-03 -1.5290000000e-03  3.6358000000e-03 -1.4127000000e-03 -7.1700000000e-04  2.2274000000e-03 -1.3428000000e-03  2.9429000000e-03 -3.3417000000e-03 -1.7253000000e-03  4.6572000000e-03 -2.6756000000e-03  7.6050000000e-04 -3.7448000000e-03 -1.4326000000e-03 -6.9830000000e-04 -1.6093000000e-03  1.5866000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2613500000e-01  4.4056800000e-01  1.9907800000e-01  6.6353200000e-01  5.1578700000e-01  4.5817200000e-01  1.4612860000e+00  2.1159540000e+00  1.4899220000e+00  2.3261770000e+00  2.3419020000e+00  1.1476610000e+00  1.5785050000e+00  2.0890400000e+00  2.4395370000e+00
-ENERGY -1.526611272931e+02
-FORCES  2.0388000000e-03  8.9662000000e-03  5.7267000000e-03  1.5340000000e-03 -2.2667000000e-03 -8.4850000000e-04 -2.5577000000e-03 -7.2580000000e-03 -5.1562000000e-03  3.5090000000e-03  2.0563000000e-03  3.0425000000e-03 -4.3115000000e-03 -1.9471000000e-03  2.0511000000e-03 -2.1240000000e-04  4.4930000000e-04 -4.8156000000e-03
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6325400000e-01  3.7341000000e-01 -1.7773300000e-01  3.3801000000e-02 -2.5440400000e-01  9.2215400000e-01  2.5365610000e+00  9.3315400000e-01 -2.2159000000e-02  2.6657990000e+00  1.8175170000e+00  3.2052500000e-01  2.7591430000e+00  1.0006650000e+00 -9.5066900000e-01
-ENERGY -1.526590080305e+02
-FORCES  1.6929300000e-02  4.6562000000e-03  3.7479000000e-03 -7.6951000000e-03 -2.1880000000e-03 -4.8871000000e-03 -9.6120000000e-04  9.0580000000e-04 -1.9150000000e-03 -3.5440000000e-03  1.7316000000e-03 -1.3170000000e-04 -5.2480000000e-04 -4.8716000000e-03 -2.3027000000e-03 -4.2042000000e-03 -2.3390000000e-04  5.4885000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0290900000e-01  8.9169900000e-01 -1.7132100000e-01  8.2592300000e-01 -6.9055000000e-02 -4.7886800000e-01 -4.1282100000e-01 -8.5993700000e-01  2.6812260000e+00 -2.0930000000e-01  5.5007000000e-02  2.8753600000e+00 -4.2586000000e-02 -1.0087520000e+00  1.8111620000e+00
-ENERGY -1.526579593159e+02
-FORCES -1.2354000000e-03  3.9822000000e-03 -2.7740000000e-04  2.5750000000e-03 -3.7896000000e-03  3.4740000000e-04 -3.8662000000e-03  5.5400000000e-05  3.7109000000e-03  2.5189000000e-03  6.2434000000e-03 -1.1056000000e-02 -1.0893000000e-03 -2.0206000000e-03  1.1600000000e-03  1.0969000000e-03 -4.4708000000e-03  6.1150000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1632200000e-01 -6.3383000000e-01  3.7064000000e-02 -3.6052900000e-01  7.4143700000e-01 -4.8633500000e-01 -9.2268200000e-01  2.1636170000e+00 -1.3863350000e+00 -9.9450000000e-01  3.1111490000e+00 -1.2711950000e+00 -8.7483800000e-01  2.0400010000e+00 -2.3343120000e+00
-ENERGY -1.526606735720e+02
-FORCES -6.2620000000e-03  1.0074900000e-02 -5.3531000000e-03  1.6369000000e-03  2.3830000000e-03 -1.0303000000e-03  2.5961000000e-03 -8.7307000000e-03  2.1765000000e-03  2.7431000000e-03 -7.2440000000e-04  2.0727000000e-03 -1.3240000000e-04 -4.0921000000e-03 -2.9017000000e-03 -5.8170000000e-04  1.0893000000e-03  5.0360000000e-03
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1300000000e-01  2.8749400000e-01 -3.1850000000e-03  4.7043600000e-01  6.9996000000e-01  4.5274400000e-01  2.2640700000e-01 -2.7816790000e+00  2.3959200000e-01 -5.9745000000e-02 -1.8691140000e+00  2.7928300000e-01  1.0595950000e+00 -2.7516900000e+00 -2.3065200000e-01
-ENERGY -1.526600404291e+02
-FORCES  6.1490000000e-04  9.7310000000e-04  2.2410000000e-03  5.0100000000e-03 -2.6494000000e-03  1.0898000000e-03 -3.0096000000e-03 -2.5265000000e-03 -2.9301000000e-03  2.5109000000e-03  1.3474300000e-02 -2.8019000000e-03 -3.5619000000e-03 -7.9106000000e-03  8.4630000000e-04 -1.5643000000e-03 -1.3609000000e-03  1.5548000000e-03
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3679500000e-01 -1.5109900000e-01 -1.2576500000e-01 -4.2329900000e-01 -5.6905400000e-01 -6.4282800000e-01 -1.4521820000e+00 -1.9124730000e+00 -1.5012950000e+00 -2.1866610000e+00 -2.2676470000e+00 -1.0006720000e+00 -1.8277900000e+00 -1.6894800000e+00 -2.3530140000e+00
-ENERGY -1.526618492424e+02
-FORCES -3.2680000000e-03 -8.5257000000e-03 -6.5547000000e-03 -3.0122000000e-03  7.1500000000e-05 -2.6140000000e-04  5.5354000000e-03  7.9569000000e-03  4.6655000000e-03 -3.9479000000e-03 -1.0720000000e-04  1.3555000000e-03  2.9836000000e-03  1.5235000000e-03 -3.8518000000e-03  1.7091000000e-03 -9.1900000000e-04  4.6469000000e-03
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9010700000e-01  5.8532400000e-01 -4.7476400000e-01  3.1215000000e-02  3.5846500000e-01  8.8699500000e-01 -3.5686500000e-01  6.3757300000e-01  2.7213220000e+00 -1.3059760000e+00  7.2255000000e-01  2.6307780000e+00 -7.1137000000e-02  1.4861530000e+00  3.0597060000e+00
-ENERGY -1.526596482415e+02
-FORCES -1.1267000000e-03  4.2768000000e-03  1.0848100000e-02  1.1320000000e-03 -1.5372000000e-03  2.9011000000e-03 -5.3800000000e-04 -7.5910000000e-04 -1.0931900000e-02 -3.3468000000e-03  1.4666000000e-03  1.6439000000e-03  5.8842000000e-03  8.0740000000e-04 -1.2522000000e-03 -2.0047000000e-03 -4.2544000000e-03 -3.2090000000e-03
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4571600000e-01  1.3987900000e-01 -4.7819000000e-02  3.3890000000e-01  7.9181400000e-01  4.1762400000e-01 -1.8903850000e+00  8.0530800000e-01  3.2190050000e+00 -2.6997990000e+00  3.9103300000e-01  3.5180990000e+00 -1.8821270000e+00  1.6578390000e+00  3.6541540000e+00
-ENERGY -1.526552324331e+02
-FORCES -3.4847000000e-03  3.8537000000e-03  4.0262000000e-03  3.7192000000e-03 -8.4200000000e-04 -1.7376000000e-03 -2.4870000000e-04 -2.5648000000e-03 -2.8205000000e-03 -3.4584000000e-03  1.0429000000e-03  4.2461000000e-03  3.3006000000e-03  2.0129000000e-03 -1.4381000000e-03  1.7200000000e-04 -3.5026000000e-03 -2.2762000000e-03
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7072800000e-01  7.6832900000e-01  5.4475100000e-01  1.3330500000e-01  3.0717800000e-01 -8.9671800000e-01 -2.6597430000e+00 -1.2441150000e+00  1.6610500000e-01 -1.9271480000e+00 -6.4576200000e-01  1.9445000000e-02 -2.5184160000e+00 -1.5845400000e+00  1.0494900000e+00
-ENERGY -1.526604655190e+02
-FORCES  3.4706000000e-03  3.4535000000e-03 -1.3678000000e-03 -1.4874000000e-03 -4.0411000000e-03 -2.8849000000e-03 -2.0077000000e-03 -1.1964000000e-03  5.1063000000e-03  1.0738500000e-02  2.7906000000e-03  2.6652000000e-03 -9.3488000000e-03 -2.0010000000e-03 -1.3550000000e-03 -1.3651000000e-03  9.9440000000e-04 -2.1637000000e-03
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4845600000e-01  7.0649000000e-02  1.0803600000e-01  3.4907400000e-01  7.8263100000e-01  4.2645900000e-01  3.2163560000e+00 -1.0552000000e-01 -5.3046800000e-01  3.1401590000e+00 -1.0299020000e+00 -7.6699400000e-01  2.9283390000e+00 -6.6631000000e-02  3.8154400000e-01
-ENERGY -1.526544147258e+02
-FORCES -2.3992000000e-03  4.7412000000e-03  8.8960000000e-04  4.2733000000e-03 -3.5530000000e-04 -7.6460000000e-04 -1.2500000000e-03 -4.1670000000e-03 -4.5800000000e-05 -4.4277000000e-03 -5.2946000000e-03  1.9608000000e-03  2.1921000000e-03  3.3557000000e-03  7.9130000000e-04  1.6114000000e-03  1.7201000000e-03 -2.8312000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5836500000e-01 -8.8322700000e-01 -3.3325900000e-01  1.2814000000e-02 -1.0132000000e-01  9.5173600000e-01 -2.7848710000e+00 -3.7794200000e-01 -1.8669750000e+00 -3.2758750000e+00  2.7568000000e-01 -2.3648970000e+00 -2.8786670000e+00 -1.0467700000e-01 -9.5441800000e-01
-ENERGY -1.526558446752e+02
-FORCES  8.5990000000e-04 -4.8047000000e-03  5.5080000000e-04  1.1681000000e-03  3.8146000000e-03  3.3305000000e-03 -1.1490000000e-03  6.7050000000e-04 -4.1153000000e-03 -1.0283000000e-03  5.5484000000e-03  1.9401000000e-03  1.5448000000e-03 -2.6223000000e-03  2.0425000000e-03 -1.3955000000e-03 -2.6065000000e-03 -3.7486000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9008800000e-01 -1.5059600000e-01 -6.4601200000e-01 -1.7968200000e-01  9.3856500000e-01 -5.5147000000e-02 -7.2790400000e-01  2.5885930000e+00 -1.2382400000e-01 -1.6259070000e+00  2.9114190000e+00 -1.9871000000e-01 -2.0483800000e-01  3.3717420000e+00  4.7381000000e-02
-ENERGY -1.526603265556e+02
-FORCES -2.9255000000e-03  1.3816200000e-02 -2.2033000000e-03 -1.7210000000e-03  1.7551000000e-03  1.8066000000e-03  3.2081000000e-03 -8.1744000000e-03  1.2160000000e-04 -9.9300000000e-05 -4.9543000000e-03  1.0812000000e-03  5.1100000000e-03  6.6330000000e-04  5.9070000000e-04 -3.5722000000e-03 -3.1059000000e-03 -1.3968000000e-03
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7419600000e-01 -6.3995400000e-01  2.2836500000e-01 -1.2623900000e-01 -1.1033000000e-01 -9.4240300000e-01 -1.5578350000e+00 -3.1334270000e+00 -3.2933200000e-01 -2.2625020000e+00 -3.7552010000e+00 -5.1119100000e-01 -1.7884710000e+00 -2.3545100000e+00 -8.3562000000e-01
-ENERGY -1.526548468466e+02
-FORCES  3.5972000000e-03 -3.7957000000e-03 -1.6538000000e-03 -2.2591000000e-03  3.9331000000e-03 -1.3036000000e-03 -1.1302000000e-03 -1.2930000000e-04  3.7317000000e-03 -4.6936000000e-03  1.2332000000e-03 -1.7184000000e-03  2.9064000000e-03  2.7874000000e-03  7.3550000000e-04  1.5793000000e-03 -4.0287000000e-03  2.0860000000e-04
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0261000000e-02  7.5159600000e-01  5.9196200000e-01  3.4284600000e-01  3.3357000000e-01 -8.2910800000e-01  3.9392500000e-01  8.0215700000e-01 -2.4590420000e+00  1.5526400000e-01  1.7281060000e+00 -2.5025270000e+00  1.2159490000e+00  7.4308100000e-01 -2.9458870000e+00
-ENERGY -1.526574708669e+02
-FORCES  3.5393000000e-03  5.8963000000e-03 -1.7027500000e-02  2.8000000000e-06 -7.9620000000e-04 -3.8900000000e-03 -4.2480000000e-04 -7.6510000000e-04  9.8012000000e-03 -1.2299000000e-03 -3.3020000000e-04  6.0282000000e-03  2.7327000000e-03 -5.1368000000e-03  1.5570000000e-03 -4.6202000000e-03  1.1320000000e-03  3.5310000000e-03
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1635000000e-02 -7.9975400000e-01 -5.2341100000e-01 -2.6075400000e-01 -2.9958400000e-01  8.7091300000e-01  2.5727840000e+00  9.4959700000e-01 -4.1342700000e-01  1.7217070000e+00  6.1138400000e-01 -1.3501700000e-01  2.4963030000e+00  1.0393080000e+00 -1.3633400000e+00
-ENERGY -1.526601362958e+02
-FORCES  8.5360000000e-04 -2.8331000000e-03  8.1730000000e-04  1.1769000000e-03  5.0241000000e-03  2.9203000000e-03  2.0920000000e-03  1.0300000000e-03 -4.9810000000e-03 -1.4370900000e-02 -2.7947000000e-03  2.0370000000e-04  1.0146700000e-02  8.2910000000e-04 -1.3817000000e-03  1.0170000000e-04 -1.2554000000e-03  2.4213000000e-03
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4784800000e-01 -1.0643400000e-01  8.0546000000e-02 -2.6842700000e-01 -6.9070600000e-01 -6.0589100000e-01 -6.0642300000e-01  6.9304400000e-01  2.4826750000e+00  2.8916000000e-02  3.2872000000e-02  2.7597120000e+00 -6.7688400000e-01  5.7564600000e-01  1.5353190000e+00
-ENERGY -1.526574938240e+02
-FORCES  3.5070000000e-04  3.3650000000e-04  7.3841000000e-03 -5.1185000000e-03 -1.0523000000e-03 -2.9940000000e-04  2.6964000000e-03  2.9855000000e-03  3.4027000000e-03  4.1225000000e-03 -7.4586000000e-03 -1.6087500000e-02 -3.0840000000e-04  1.8639000000e-03 -1.5030000000e-04 -1.7427000000e-03  3.3250000000e-03  5.7504000000e-03
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7929500000e-01 -3.7623400000e-01  3.9000000000e-02 -4.9769400000e-01 -6.0913100000e-01 -5.4542900000e-01 -5.4077200000e-01  6.7544000000e-01  2.6454470000e+00  2.0349000000e-01  3.3261300000e-01  3.1401960000e+00 -4.6715600000e-01  2.6317100000e-01  1.7847230000e+00
-ENERGY -1.526593304069e+02
-FORCES  1.4704000000e-03 -1.5364000000e-03 -9.7130000000e-04 -5.4174000000e-03  1.2765000000e-03  1.3616000000e-03  3.1396000000e-03  2.8858000000e-03  3.4184000000e-03  3.3296000000e-03 -3.7102000000e-03 -1.1580300000e-02 -1.5583000000e-03  6.2110000000e-04 -2.7685000000e-03 -9.6380000000e-04  4.6320000000e-04  1.0540200000e-02
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0681900000e-01  9.3034300000e-01 -1.9820100000e-01  1.6243400000e-01 -4.4299200000e-01 -8.3283000000e-01  3.3513570000e+00  1.9966600000e-01 -9.1098500000e-01  4.2635960000e+00 -6.9536000000e-02 -8.0336100000e-01  2.9633770000e+00 -4.8139800000e-01 -1.4603990000e+00
-ENERGY -1.526533584270e+02
-FORCES  3.2335000000e-03  3.2249000000e-03 -3.6803000000e-03 -2.1226000000e-03 -3.8001000000e-03  6.5820000000e-04 -3.4860000000e-04  8.2940000000e-04  2.6818000000e-03  2.5448000000e-03 -4.6090000000e-03 -6.0110000000e-04 -3.8890000000e-03  1.1479000000e-03 -4.7260000000e-04  5.8190000000e-04  3.2068000000e-03  1.4139000000e-03
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5495100000e-01 -4.5587500000e-01  3.7210100000e-01  2.0152900000e-01  7.6406000000e-02 -9.3262000000e-01 -2.4604190000e+00  1.5495600000e-01  1.4065680000e+00 -2.3302280000e+00  1.0875480000e+00  1.5784790000e+00 -1.6649740000e+00 -1.1815500000e-01  9.4950100000e-01
-ENERGY -1.526611456466e+02
-FORCES  7.6510000000e-04 -7.2830000000e-04 -1.9814000000e-03 -3.8248000000e-03  2.2480000000e-03 -2.4230000000e-03  6.1830000000e-04 -4.8070000000e-04  4.7921000000e-03  1.0524900000e-02  2.4737000000e-03 -5.7802000000e-03 -1.2539000000e-03 -2.2598000000e-03  5.8100000000e-05 -6.8296000000e-03 -1.2529000000e-03  5.3344000000e-03
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5530700000e-01 -6.9398600000e-01  7.2026000000e-02 -4.8611700000e-01  7.5582100000e-01 -3.2963100000e-01  1.2280730000e+00  2.8714490000e+00  4.1573400000e-01  2.0526940000e+00  2.4568760000e+00  6.6942900000e-01  1.0655720000e+00  2.5578990000e+00 -4.7393500000e-01
-ENERGY -1.526544555102e+02
-FORCES -5.3215000000e-03  1.2599000000e-03  7.0660000000e-04  2.7560000000e-03  3.2101000000e-03  6.8000000000e-05  3.0972000000e-03 -3.2260000000e-03 -1.5250000000e-03  4.0522000000e-03 -6.1908000000e-03 -1.4275000000e-03 -2.3796000000e-03  3.4931000000e-03 -9.6160000000e-04 -2.2043000000e-03  1.4536000000e-03  3.1395000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4269400000e-01  8.5685100000e-01 -2.5416200000e-01  7.0415900000e-01 -1.7190800000e-01 -6.2517200000e-01  2.4806290000e+00  1.8039370000e+00  1.2289630000e+00  2.6752580000e+00  9.0043000000e-01  1.4780150000e+00  1.6932210000e+00  2.0255880000e+00  1.7260470000e+00
-ENERGY -1.526561374006e+02
-FORCES  3.2145000000e-03  4.4678000000e-03 -4.5876000000e-03  3.5360000000e-04 -3.5094000000e-03  1.6448000000e-03 -3.2264000000e-03 -7.2610000000e-04  2.5290000000e-03 -4.7436000000e-03 -4.9237000000e-03  3.5276000000e-03  9.7900000000e-04  3.7620000000e-03 -1.2681000000e-03  3.4228000000e-03  9.2940000000e-04 -1.8457000000e-03
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9708000000e-02 -8.7424800000e-01 -3.8348700000e-01 -1.9785300000e-01 -1.2839400000e-01  9.2768600000e-01  2.5173370000e+00  1.2607560000e+00 -3.9632700000e-01  1.7555440000e+00  8.6270000000e-01  2.4925000000e-02  2.2267160000e+00  1.4498450000e+00 -1.2885250000e+00
-ENERGY -1.526599176836e+02
-FORCES -1.2400000000e-05 -3.9338000000e-03 -1.7810000000e-04 -2.3550000000e-04  4.4342000000e-03  2.2900000000e-03  3.0960000000e-03  8.6680000000e-04 -4.9507000000e-03 -1.2895900000e-02 -4.4888000000e-03 -1.5826000000e-03  7.7848000000e-03  3.4501000000e-03  2.8219000000e-03  2.2631000000e-03 -3.2840000000e-04  1.5995000000e-03
-
-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8842200000e-01  1.6043200000e-01  3.1811900000e-01  5.2444200000e-01  6.9948400000e-01  3.8976100000e-01  4.2123900000e-01 -8.1618000000e-01 -2.5963130000e+00 -3.5252300000e-01 -3.7178100000e-01 -2.9427710000e+00  4.7886600000e-01 -5.2364100000e-01 -1.6867350000e+00
-ENERGY -1.526596191145e+02
-FORCES -2.4509000000e-03  3.8970000000e-04 -2.3880000000e-03  4.7676000000e-03  5.9360000000e-04 -8.4560000000e-04 -3.2410000000e-03 -3.4175000000e-03 -2.5471000000e-03 -4.7252000000e-03  5.5330000000e-03  1.2796300000e-02  1.6012000000e-03 -1.3378000000e-03  5.5960000000e-04  4.0483000000e-03 -1.7610000000e-03 -7.5753000000e-03
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2511100000e-01 -3.3153900000e-01  3.5426800000e-01 -1.9657000000e-01  2.0543000000e-01 -9.1399700000e-01 -2.4238440000e+00 -1.1598500000e+00  2.7640000000e-01 -2.4709660000e+00 -2.0615190000e+00 -4.1412000000e-02 -2.6231740000e+00 -1.2238820000e+00  1.2104230000e+00
-ENERGY -1.526583118558e+02
-FORCES -1.6656400000e-02 -6.3440000000e-03 -2.0905000000e-03  6.4887000000e-03  3.7148000000e-03  4.7432000000e-03  1.7597000000e-03 -5.6850000000e-04  1.6342000000e-03  5.0562000000e-03 -2.3949000000e-03 -1.1398000000e-03 -7.7320000000e-04  4.6456000000e-03  2.1607000000e-03  4.1250000000e-03  9.4700000000e-04 -5.3077000000e-03
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3361000000e-02  1.2208300000e-01 -9.4654400000e-01 -8.8086500000e-01 -2.5029500000e-01  2.7867700000e-01  8.5736300000e-01  2.0542950000e+00  1.5022600000e+00  1.7520020000e+00  1.7638870000e+00  1.3247270000e+00  3.0378100000e-01  1.4063920000e+00  1.0663700000e+00
-ENERGY -1.526582153038e+02
-FORCES  7.1450000000e-04  4.4720000000e-03 -3.2590000000e-04 -7.3800000000e-05 -1.2530000000e-03  5.1946000000e-03  5.2592000000e-03  4.3003000000e-03 -7.9780000000e-04 -1.8564000000e-03 -1.5034600000e-02 -1.0815800000e-02 -1.2133000000e-03  2.1018000000e-03  7.0640000000e-04 -2.8303000000e-03  5.4135000000e-03  6.0385000000e-03
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8460500000e-01  6.3944000000e-01 -1.9663500000e-01  4.7573700000e-01 -7.8607100000e-01  2.6832700000e-01  1.1131780000e+00 -2.3554410000e+00  1.1853130000e+00  7.4987500000e-01 -3.1776390000e+00  8.5632400000e-01  8.1738200000e-01 -2.3091370000e+00  2.0944850000e+00
-ENERGY -1.526622426187e+02
-FORCES  6.6979000000e-03 -7.6164000000e-03  3.2741000000e-03 -1.6298000000e-03 -2.4908000000e-03  1.0892000000e-03 -4.6332000000e-03  9.0915000000e-03 -4.5032000000e-03 -3.3968000000e-03 -2.3504000000e-03  2.8227000000e-03  1.4910000000e-03  4.2633000000e-03  2.1496000000e-03  1.4708000000e-03 -8.9730000000e-04 -4.8323000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1880100000e-01 -4.0310900000e-01  2.8861800000e-01 -3.7193000000e-02 -1.7847900000e-01 -9.3967700000e-01  5.5778900000e-01  1.9092480000e+00  3.2174600000e+00  6.8525000000e-01  9.8705400000e-01  3.4400420000e+00 -2.7088900000e-01  2.1445370000e+00  3.6347890000e+00
-ENERGY -1.526533286202e+02
-FORCES  3.8204000000e-03 -1.4070000000e-03 -2.7798000000e-03 -3.6171000000e-03  8.2540000000e-04 -7.9990000000e-04  1.7900000000e-05  7.9170000000e-04  3.9152000000e-03 -4.1794000000e-03 -3.0444000000e-03  1.3508000000e-03  3.8250000000e-04  3.4933000000e-03 -6.3340000000e-04  3.5758000000e-03 -6.5890000000e-04 -1.0529000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2963200000e-01 -4.4033100000e-01  1.8452700000e-01 -2.5282700000e-01  8.2156700000e-01 -4.2111500000e-01  8.6224400000e-01  9.2313000000e-02 -3.1515940000e+00  2.0501900000e-01 -3.7041500000e-01 -2.6318150000e+00  5.7691700000e-01 -2.3981000000e-02 -4.0578480000e+00
-ENERGY -1.526560675577e+02
-FORCES -3.0670000000e-03  3.8252000000e-03  1.9275000000e-03  3.8403000000e-03  1.5241000000e-03 -2.4138000000e-03 -2.3900000000e-05 -5.2396000000e-03  1.6293000000e-03 -2.5070000000e-03 -3.7863000000e-03 -5.9800000000e-05  9.6740000000e-04  3.3241000000e-03 -5.2526000000e-03  7.9020000000e-04  3.5250000000e-04  4.1694000000e-03
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7583300000e-01 -2.8117100000e-01  2.6474700000e-01  8.9390000000e-03 -5.4923000000e-02 -9.5558100000e-01  4.4850500000e-01 -4.2778500000e-01 -2.6369540000e+00  1.3772350000e+00 -6.3290600000e-01 -2.5291670000e+00  1.1274300000e-01 -1.1244900000e+00 -3.2009550000e+00
-ENERGY -1.526581768716e+02
-FORCES  3.1348000000e-03 -3.3281000000e-03 -1.5128900000e-02 -1.6950000000e-03  5.8150000000e-04 -1.8930000000e-03  9.1800000000e-04  2.0428000000e-03  8.8923000000e-03 -7.1100000000e-05 -3.2225000000e-03  4.2976000000e-03 -5.4664000000e-03  6.4670000000e-04  1.3665000000e-03  3.1796000000e-03  3.2797000000e-03  2.4655000000e-03
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2132700000e-01 -3.0118000000e-01  3.8851600000e-01  9.9380000000e-02 -1.7374100000e-01 -9.3603900000e-01  4.0953300000e-01 -6.7446500000e-01 -2.5880360000e+00  1.3141020000e+00 -9.7868300000e-01 -2.6617800000e+00 -6.5890000000e-02 -1.1716540000e+00 -3.2536250000e+00
-ENERGY -1.526589445494e+02
-FORCES  2.8436000000e-03 -4.6851000000e-03 -1.3913100000e-02 -1.6112000000e-03  5.2090000000e-04 -2.3047000000e-03  1.1732000000e-03  2.7065000000e-03  8.4846000000e-03 -1.6105000000e-03 -1.5523000000e-03  4.3175000000e-03 -4.9717000000e-03  1.0715000000e-03  1.1559000000e-03  4.1766000000e-03  1.9385000000e-03  2.2597000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7379000000e-02  9.4763300000e-01 -1.2640400000e-01  7.7222600000e-01 -2.7008700000e-01 -4.9694200000e-01 -4.8078000000e-01 -9.1990000000e-01  2.6691120000e+00 -1.8232700000e-01 -1.0162300000e-01  3.0660750000e+00 -2.2430600000e-01 -8.4815400000e-01  1.7497070000e+00
-ENERGY -1.526600417916e+02
-FORCES  8.1730000000e-04  3.5633000000e-03 -7.2230000000e-04  1.3297000000e-03 -4.5521000000e-03  9.1100000000e-05 -3.7373000000e-03  1.6205000000e-03  3.2797000000e-03  2.8012000000e-03  6.2112000000e-03 -9.9853000000e-03 -1.0558000000e-03 -2.0144000000e-03 -5.8790000000e-04 -1.5500000000e-04 -4.8284000000e-03  7.9248000000e-03
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9411900000e-01  2.7559500000e-01  2.0206700000e-01  2.0440900000e-01 -6.5772700000e-01  6.6471300000e-01 -2.4351320000e+00  9.7233700000e-01  2.2727000000e-02 -2.8833970000e+00  2.0027000000e-01 -3.2253200000e-01 -2.8193560000e+00  1.7069350000e+00 -4.5578000000e-01
-ENERGY -1.526577437308e+02
-FORCES -1.3619900000e-02  8.0653000000e-03  1.4201000000e-03  4.8823000000e-03 -8.7816000000e-03  5.1040000000e-04 -3.6476000000e-03  2.2282000000e-03 -1.8304000000e-03  8.5362000000e-03 -4.6810000000e-04 -4.4804000000e-03  4.2890000000e-03  3.6974000000e-03  2.5215000000e-03 -4.4000000000e-04 -4.7413000000e-03  1.8587000000e-03
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0194000000e-01 -3.3354500000e-01  4.0233300000e-01 -1.8331900000e-01 -3.7630000000e-03 -9.3947400000e-01 -2.3974760000e+00 -1.0080290000e+00 -4.1120000000e-02 -2.4956730000e+00 -1.7603280000e+00 -6.2476000000e-01 -2.5455640000e+00 -1.3632770000e+00  8.3529400000e-01
-ENERGY -1.526529374475e+02
-FORCES -2.1252100000e-02 -7.4609000000e-03 -5.1642000000e-03  2.2576000000e-03 -1.9150000000e-04  8.3543000000e-03  2.9626000000e-03  9.6600000000e-05  3.0190000000e-04  1.0578700000e-02 -2.3180000000e-04 -1.7022000000e-03  1.4850000000e-04  4.2015000000e-03  2.9127000000e-03  5.3047000000e-03  3.5861000000e-03 -4.7025000000e-03
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4771300000e-01 -5.2373100000e-01  2.8785800000e-01 -1.1875000000e-01 -2.3651700000e-01 -9.1988600000e-01 -1.7856560000e+00 -2.7660150000e+00 -3.2815900000e-01 -2.6001550000e+00 -3.2686800000e+00 -3.4042300000e-01 -1.9754230000e+00 -1.9887110000e+00 -8.5353400000e-01
-ENERGY -1.526539694098e+02
-FORCES  3.4722000000e-03 -5.1895000000e-03 -1.1308000000e-03 -2.1639000000e-03  3.5140000000e-03 -1.3546000000e-03 -1.7233000000e-03  8.5220000000e-04  3.3185000000e-03 -4.6587000000e-03  2.3581000000e-03 -8.4110000000e-04  3.4584000000e-03  2.2979000000e-03  2.2980000000e-04  1.6155000000e-03 -3.8326000000e-03 -2.2180000000e-04
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2200000000e-01 -9.0845100000e-01 -2.0412000000e-01 -4.3780400000e-01  1.7256500000e-01  8.3353500000e-01 -1.5771500000e-01 -8.2082700000e-01 -3.6070970000e+00 -6.2100000000e-03 -1.7658940000e+00 -3.6183370000e+00 -7.7163900000e-01 -6.8476200000e-01 -2.8854210000e+00
-ENERGY -1.526535583919e+02
-FORCES -1.5121000000e-03 -2.7280000000e-03  4.0833000000e-03 -2.5230000000e-04  4.0599000000e-03 -4.7540000000e-04  1.9613000000e-03 -8.0320000000e-04 -3.8106000000e-03 -1.6123000000e-03 -1.7430000000e-03  2.9432000000e-03 -7.3340000000e-04  3.8221000000e-03  6.9430000000e-04  2.1488000000e-03 -2.6079000000e-03 -3.4348000000e-03
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2522400000e-01 -9.1288300000e-01 -2.5922100000e-01 -3.1956700000e-01  3.9509000000e-02  9.0141400000e-01  2.4070290000e+00  1.0488230000e+00 -4.5056000000e-01  1.6694270000e+00  6.5508600000e-01  1.5430000000e-02  2.0484210000e+00  1.2948710000e+00 -1.3032570000e+00
-ENERGY -1.526580845601e+02
-FORCES  4.7316000000e-03 -7.6860000000e-04 -1.4584000000e-03  1.4970000000e-04  5.0718000000e-03  1.9130000000e-03  4.2165000000e-03 -4.3140000000e-04 -4.8559000000e-03 -1.8280200000e-02 -6.0869000000e-03 -1.1020000000e-04  6.7386000000e-03  2.5192000000e-03  3.6179000000e-03  2.4437000000e-03 -3.0410000000e-04  8.9360000000e-04
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6535200000e-01  9.2533100000e-01  1.8070300000e-01 -1.4826600000e-01 -3.7231000000e-02 -9.4491400000e-01  6.2049100000e-01  2.7831680000e+00  4.3017400000e-01 -1.5778300000e-01  3.3027930000e+00  2.2890100000e-01  5.8864500000e-01  2.6609120000e+00  1.3790000000e+00
-ENERGY -1.526602833680e+02
-FORCES  3.3638000000e-03  1.1396600000e-02 -2.7488000000e-03 -3.7593000000e-03 -9.5546000000e-03  2.7133000000e-03 -1.2960000000e-04  2.3300000000e-04  2.7522000000e-03 -2.1951000000e-03  3.6050000000e-03  2.9803000000e-03  3.8543000000e-03 -3.8175000000e-03  9.6350000000e-04 -1.1341000000e-03 -1.8625000000e-03 -6.6605000000e-03
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4799500000e-01  1.2923600000e-01  2.8898000000e-02  3.6553500000e-01  8.7557000000e-01  1.2646100000e-01  4.2304800000e-01 -8.3495500000e-01  3.4668210000e+00 -4.4553200000e-01 -5.2633800000e-01  3.2088330000e+00  5.4211800000e-01 -5.0094300000e-01  4.3559160000e+00
-ENERGY -1.526529561151e+02
-FORCES -9.0260000000e-04  4.0492000000e-03  2.5230000000e-04  3.8146000000e-03 -7.4080000000e-04  1.0220000000e-03 -2.1197000000e-03 -3.3915000000e-03 -8.6960000000e-04 -3.3949000000e-03  2.0619000000e-03  1.4084000000e-03  2.8728000000e-03 -8.4380000000e-04  2.2406000000e-03 -2.7020000000e-04 -1.1351000000e-03 -4.0537000000e-03
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2269100000e-01 -9.4502900000e-01  8.9992000000e-02 -8.4975900000e-01  1.7140900000e-01  4.0590700000e-01  5.2947200000e-01 -2.5103510000e+00  4.1147400000e-01  1.4527220000e+00 -2.7416450000e+00  3.0975900000e-01  5.6743000000e-02 -3.3208030000e+00  2.2193300000e-01
-ENERGY -1.526584800323e+02
-FORCES  2.0269000000e-03 -1.8785600000e-02  4.2340000000e-03 -4.5990000000e-04  7.6501000000e-03 -1.1598000000e-03  1.8358000000e-03 -2.0263000000e-03 -1.1221000000e-03 -1.3436000000e-03  9.9899000000e-03 -3.4350000000e-03 -5.6326000000e-03 -3.1050000000e-04  8.8600000000e-05  3.5734000000e-03  3.4823000000e-03  1.3943000000e-03
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1496800000e-01 -6.0691600000e-01  6.1293200000e-01  2.6508800000e-01  8.6773100000e-01  3.0496300000e-01  5.7763400000e-01  6.8122300000e-01 -2.6222690000e+00  1.5121740000e+00  5.9278700000e-01 -2.8094750000e+00  4.9742600000e-01  4.6473300000e-01 -1.6933290000e+00
-ENERGY -1.526588610181e+02
-FORCES  1.7375000000e-03 -7.0370000000e-04  1.4958000000e-03 -1.8850000000e-03  4.0765000000e-03 -2.4307000000e-03  5.5570000000e-04 -5.5920000000e-03 -5.2043000000e-03 -7.2280000000e-04 -5.8812000000e-03  1.0844700000e-02 -2.8051000000e-03  7.8600000000e-05  1.9434000000e-03  3.1197000000e-03  8.0218000000e-03 -6.6489000000e-03
-
-JOB 180
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8130000000e-02  8.4441900000e-01  4.4988600000e-01 -3.1343000000e-02  2.2262300000e-01 -9.3042400000e-01  3.0649200000e-01  2.7854040000e+00  6.4583400000e-01 -2.9359300000e-01  3.5014390000e+00  4.3745000000e-01  4.1124100000e-01  2.8289790000e+00  1.5962870000e+00
-ENERGY -1.526596667018e+02
-FORCES  1.4006000000e-03  1.2654100000e-02 -1.5142000000e-03 -8.6680000000e-04 -8.5326000000e-03  2.4348000000e-03 -5.1660000000e-04 -1.9027000000e-03  1.8905000000e-03 -1.5346000000e-03  3.0496000000e-03  1.3043000000e-03  3.3366000000e-03 -3.3295000000e-03  1.3112000000e-03 -1.8192000000e-03 -1.9388000000e-03 -5.4266000000e-03
-
-JOB 181
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5079700000e-01 -8.9247600000e-01 -2.3836700000e-01 -1.0699600000e-01  3.3565000000e-02  9.5060900000e-01 -2.7708040000e+00 -4.8186000000e-01 -2.2656820000e+00 -3.4123490000e+00  9.1840000000e-02 -2.6846330000e+00 -2.8176590000e+00 -2.5622200000e-01 -1.3366370000e+00
-ENERGY -1.526551484636e+02
-FORCES  6.5550000000e-04 -4.2090000000e-03  2.0130000000e-03  3.6000000000e-04  4.3415000000e-03  2.3661000000e-03 -3.8690000000e-04  5.6700000000e-05 -4.2924000000e-03 -2.0233000000e-03  4.8920000000e-03  1.9175000000e-03  2.2992000000e-03 -2.3814000000e-03  1.7353000000e-03 -9.0460000000e-04 -2.6998000000e-03 -3.7395000000e-03
-
-JOB 182
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1421400000e-01 -7.7703000000e-01 -3.7534300000e-01  9.1869100000e-01 -2.4619000000e-01  1.0784300000e-01 -6.7144200000e-01  2.8679660000e+00 -3.4992200000e-01 -5.5439000000e-01  1.9293860000e+00 -2.0295500000e-01 -1.4546360000e+00  3.0936320000e+00  1.5198800000e-01
-ENERGY -1.526618783742e+02
-FORCES  2.5903000000e-03 -3.5114000000e-03 -1.5854000000e-03  2.6174000000e-03  2.9209000000e-03  2.1304000000e-03 -4.6228000000e-03 -1.7200000000e-04 -7.3640000000e-04 -3.9110000000e-04 -8.0559000000e-03  2.6596000000e-03 -2.4541000000e-03  1.0027000000e-02 -8.3040000000e-04  2.2604000000e-03 -1.2085000000e-03 -1.6378000000e-03
-
-JOB 183
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3854000000e-02  7.8685000000e-02  9.5182100000e-01  9.1842600000e-01 -2.1567000000e-01 -1.6190000000e-01 -1.2168200000e-01  5.9266500000e-01  2.6219570000e+00 -9.4547800000e-01  6.2303400000e-01  3.1084430000e+00  2.9759600000e-01 -2.1805100000e-01  2.9103610000e+00
-ENERGY -1.526574501261e+02
-FORCES  3.1910000000e-04  5.7004000000e-03  1.4981100000e-02  2.9691000000e-03 -7.4509000000e-03 -7.0623000000e-03 -2.6561000000e-03  1.9880000000e-04  2.5736000000e-03 -2.8077000000e-03 -1.5395000000e-03 -2.1453000000e-03  5.0300000000e-03 -9.1080000000e-04 -2.1158000000e-03 -2.8545000000e-03  4.0021000000e-03 -6.2313000000e-03
-
-JOB 184
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5189000000e-02 -2.4201800000e-01  9.2575600000e-01 -5.7228000000e-02 -8.3480400000e-01 -4.6482200000e-01  2.5064720000e+00  1.1384860000e+00 -4.4666300000e-01  1.7465910000e+00  7.6118300000e-01 -3.4300000000e-03  2.1671760000e+00  1.4411460000e+00 -1.2889850000e+00
-ENERGY -1.526586456956e+02
-FORCES  1.6046000000e-03 -3.7627000000e-03 -1.1201000000e-03  3.1781000000e-03  2.2378000000e-03 -5.7284000000e-03  6.8000000000e-06  4.3814000000e-03  2.7533000000e-03 -1.5046300000e-02 -3.9085000000e-03 -1.2183000000e-03  7.7831000000e-03  1.6799000000e-03  4.0798000000e-03  2.4738000000e-03 -6.2780000000e-04  1.2336000000e-03
-
-JOB 185
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4724100000e-01  4.2913900000e-01 -1.1939500000e-01  2.2532500000e-01  1.6431900000e-01  9.1567500000e-01  2.2270940000e+00 -2.4446900000e-01 -1.8022270000e+00  2.5459970000e+00 -1.1198300000e+00 -1.5825090000e+00  1.3712460000e+00 -1.8720600000e-01 -1.3774000000e+00
-ENERGY -1.526613360253e+02
-FORCES  2.9910000000e-04  2.6945000000e-03  2.7932000000e-03  4.1557000000e-03 -1.7789000000e-03  1.3314000000e-03 -2.5928000000e-03 -8.3050000000e-04 -3.8620000000e-03 -7.9320000000e-03 -1.8295000000e-03  6.7935000000e-03 -6.8790000000e-04  2.6946000000e-03 -2.1220000000e-04  6.7580000000e-03 -9.5030000000e-04 -6.8440000000e-03
-
-JOB 186
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6923300000e-01  9.3922500000e-01  7.3807000000e-02  9.3928300000e-01 -6.1686000000e-02 -1.7370900000e-01 -2.0920630000e+00 -1.6466820000e+00 -2.6124700000e-01 -1.2944950000e+00 -1.1196160000e+00 -2.1310900000e-01 -1.9520580000e+00 -2.3520740000e+00  3.7045900000e-01
-ENERGY -1.526602218381e+02
-FORCES -4.9999000000e-03 -2.5718000000e-03 -1.6339000000e-03  2.8472000000e-03 -4.4466000000e-03 -5.9720000000e-04 -4.3925000000e-03  1.8264000000e-03  1.5261000000e-03  1.2761100000e-02  7.9005000000e-03  3.0119000000e-03 -6.8746000000e-03 -4.7894000000e-03 -5.9080000000e-04  6.5870000000e-04  2.0809000000e-03 -1.7161000000e-03
-
-JOB 187
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1333200000e-01 -9.0300400000e-01 -2.3516900000e-01 -3.7701100000e-01  1.1633700000e-01  8.7210100000e-01 -5.9393300000e-01 -7.9047500000e-01  2.7694740000e+00 -2.1803400000e-01 -1.6602390000e+00  2.6336680000e+00 -1.4451630000e+00 -9.5743800000e-01  3.1741490000e+00
-ENERGY -1.526592251597e+02
-FORCES -3.8234000000e-03 -3.9182000000e-03  8.8577000000e-03  1.2953000000e-03  2.0359000000e-03  4.4770000000e-04  1.4846000000e-03  2.3319000000e-03 -8.2670000000e-03 -1.1470000000e-04 -4.8311000000e-03  1.7430000000e-03 -2.9952000000e-03  3.9651000000e-03 -3.0000000000e-05  4.1534000000e-03  4.1630000000e-04 -2.7513000000e-03
-
-JOB 188
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3880000000e-02  9.2622000000e-01  2.4115600000e-01 -1.6942700000e-01 -1.8800000000e-04 -9.4208600000e-01  2.9768370000e+00 -3.0410800000e-01 -7.2572900000e-01  3.7826060000e+00 -8.1516600000e-01 -8.0180100000e-01  2.3109540000e+00 -8.4044000000e-01 -1.1560520000e+00
-ENERGY -1.526537377165e+02
-FORCES  1.5166000000e-03  5.9518000000e-03 -1.2703000000e-03 -1.7828000000e-03 -3.7528000000e-03 -9.3490000000e-04  2.3068000000e-03 -1.6574000000e-03  3.3882000000e-03 -2.1198000000e-03 -4.7376000000e-03 -3.2620000000e-04 -3.7507000000e-03  2.0460000000e-03  7.1610000000e-04  3.8299000000e-03  2.1500000000e-03 -1.5728000000e-03
-
-JOB 189
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8678100000e-01  4.5227000000e-01 -3.0440000000e-01 -1.8113000000e-02  1.0109600000e-01  9.5167400000e-01  1.0066740000e+00  2.4735670000e+00 -2.0415770000e+00  1.8032130000e+00  2.6146290000e+00 -2.5532990000e+00  1.3208090000e+00  2.2268380000e+00 -1.1717060000e+00
-ENERGY -1.526568300117e+02
-FORCES -5.4155000000e-03  6.0570000000e-04  1.4029000000e-03  3.5877000000e-03 -2.2282000000e-03  2.8051000000e-03  8.3600000000e-04  3.9530000000e-04 -4.3490000000e-03  4.7253000000e-03 -2.5575000000e-03  2.0047000000e-03 -2.9137000000e-03 -4.5170000000e-04  2.1313000000e-03 -8.1980000000e-04  4.2365000000e-03 -3.9949000000e-03
-
-JOB 190
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2227400000e-01 -4.6610300000e-01  1.5114700000e-01 -6.0793500000e-01 -6.7643200000e-01 -2.9847400000e-01 -3.3752300000e-01  7.4284400000e-01  2.6509200000e+00  3.3278000000e-01  1.9297300000e-01  3.0565900000e+00 -3.7208700000e-01  4.4728500000e-01  1.7411500000e+00
-ENERGY -1.526588621869e+02
-FORCES  1.6824000000e-03 -2.8002000000e-03  2.1400000000e-04 -5.5583000000e-03  2.2129000000e-03  1.5579000000e-03  3.5944000000e-03  3.5674000000e-03  3.2038000000e-03  2.4777000000e-03 -4.2783000000e-03 -1.3191300000e-02 -1.4358000000e-03  1.0938000000e-03 -2.5346000000e-03 -7.6050000000e-04  2.0450000000e-04  1.0750100000e-02
-
-JOB 191
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4764900000e-01 -2.7052300000e-01  5.3298300000e-01  2.2498000000e-01 -2.7822300000e-01 -8.8781100000e-01  1.9245000000e-02  1.5984810000e+00 -3.4187260000e+00  1.7906500000e-01  7.0326800000e-01 -3.1199260000e+00 -6.9487000000e-01  1.9126960000e+00 -2.8641620000e+00
-ENERGY -1.526530861498e+02
-FORCES  5.1361000000e-03 -2.4531000000e-03 -9.3600000000e-05 -3.4259000000e-03  9.7990000000e-04 -2.2904000000e-03 -1.8403000000e-03  1.8882000000e-03  1.6130000000e-03 -3.0088000000e-03 -1.2403000000e-03  3.8667000000e-03 -7.0000000000e-06  2.3818000000e-03  2.6340000000e-04  3.1459000000e-03 -1.5565000000e-03 -3.3591000000e-03
-
-JOB 192
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3429300000e-01  9.4773200000e-01  7.0200000000e-04  8.2300300000e-01 -1.2541600000e-01 -4.7240700000e-01  2.2166900000e+00  6.6846000000e-02 -1.7907840000e+00  2.9817410000e+00 -2.6041200000e-01 -1.3176760000e+00  2.3244310000e+00 -2.6690900000e-01 -2.6814190000e+00
-ENERGY -1.526604090620e+02
-FORCES  7.9515000000e-03  3.5129000000e-03 -8.5175000000e-03 -1.4890000000e-04 -2.6318000000e-03  5.6100000000e-04 -3.9339000000e-03 -1.4979000000e-03  8.3836000000e-03  5.1020000000e-04 -2.2698000000e-03 -3.1673000000e-03 -5.5723000000e-03  1.0960000000e-03 -1.6485000000e-03  1.1934000000e-03  1.7907000000e-03  4.3888000000e-03
-
-JOB 193
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1850300000e-01 -4.2958500000e-01  4.6415700000e-01  6.7007000000e-02  9.2061200000e-01  2.5340700000e-01  2.6392300000e-01  6.5541300000e-01  3.4306790000e+00  2.9695400000e-01  2.9020300000e-01  4.3148520000e+00 -5.2911900000e-01  2.8190700000e-01  3.0462200000e+00
-ENERGY -1.526577000001e+02
-FORCES  5.2085000000e-03  2.8194000000e-03  2.7512000000e-03 -3.7194000000e-03  7.1590000000e-04 -2.7503000000e-03 -1.5855000000e-03 -4.0253000000e-03 -1.6088000000e-03 -3.8307000000e-03 -2.8500000000e-03  3.0378000000e-03 -2.8950000000e-04  1.2191000000e-03 -3.8123000000e-03  4.2166000000e-03  2.1210000000e-03  2.3824000000e-03
-
-JOB 194
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7391500000e-01 -5.5090700000e-01  1.1742800000e-01 -3.5115200000e-01  8.7451800000e-01 -1.6775600000e-01  1.0861950000e+00  5.5041700000e-01 -3.2202130000e+00  4.3091100000e-01  1.2578900000e-01 -2.6665650000e+00  7.6287600000e-01  4.2677100000e-01 -4.1126300000e+00
-ENERGY -1.526563409935e+02
-FORCES -3.9886000000e-03  2.3216000000e-03  3.7429000000e-03  3.5803000000e-03  2.4814000000e-03 -1.7815000000e-03  1.0807000000e-03 -5.0533000000e-03 -3.5970000000e-04 -3.0423000000e-03 -3.3654000000e-03  3.6540000000e-04  1.4168000000e-03  3.2361000000e-03 -5.8365000000e-03  9.5310000000e-04  3.7970000000e-04  3.8693000000e-03
-
-JOB 195
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8600000000e-01 -1.2455400000e-01  9.3065700000e-01 -1.1577400000e-01 -8.6816400000e-01 -3.8616100000e-01 -3.8054100000e-01 -8.7248800000e-01  2.5439820000e+00 -5.0280600000e-01 -1.8143000000e+00  2.4245080000e+00 -1.2684950000e+00 -5.2256100000e-01  2.6169280000e+00
-ENERGY -1.526567639060e+02
-FORCES -5.0010000000e-04 -8.2003000000e-03  1.5494000000e-02 -4.2239000000e-03  4.9207000000e-03 -7.5914000000e-03 -1.1570000000e-04  1.8485000000e-03  1.4038000000e-03 -1.6028000000e-03 -2.9273000000e-03 -4.2117000000e-03  1.8300000000e-05  5.4558000000e-03 -5.5000000000e-04  6.4242000000e-03 -1.0974000000e-03 -4.5447000000e-03
-
-JOB 196
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4244000000e-01  6.6234500000e-01 -2.5456300000e-01  1.2763500000e-01  1.3771700000e-01  9.3860300000e-01  2.3411530000e+00 -1.7805600000e-01 -1.7359820000e+00  2.3851480000e+00 -1.1341880000e+00 -1.7463370000e+00  1.5548410000e+00  2.0511000000e-02 -1.2275360000e+00
-ENERGY -1.526617077389e+02
-FORCES -1.6522000000e-03  2.3580000000e-03  3.6238000000e-03  4.0278000000e-03 -3.0165000000e-03  1.4454000000e-03 -1.5182000000e-03 -3.7370000000e-04 -4.6443000000e-03 -8.7097000000e-03 -2.7439000000e-03  6.3877000000e-03  5.4890000000e-04  2.6492000000e-03 -1.1310000000e-04  7.3034000000e-03  1.1270000000e-03 -6.6994000000e-03
-
-JOB 197
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7540400000e-01  1.1900000000e-02  3.8698500000e-01  2.8363600000e-01 -9.1104500000e-01  7.6029000000e-02 -2.7790140000e+00  9.5817800000e-01 -1.9159480000e+00 -3.7323070000e+00  1.0438520000e+00 -1.9048050000e+00 -2.4620390000e+00  1.7465650000e+00 -1.4752620000e+00
-ENERGY -1.526547472384e+02
-FORCES -3.6455000000e-03 -4.6364000000e-03  1.3460000000e-04  4.3897000000e-03  9.2800000000e-04  1.2930000000e-04 -8.1340000000e-04  3.5324000000e-03  1.5930000000e-04 -1.7003000000e-03  4.6483000000e-03  2.9200000000e-04  4.2524000000e-03 -7.7460000000e-04  3.3440000000e-04 -2.4829000000e-03 -3.6977000000e-03 -1.0495000000e-03
-
-JOB 198
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5811300000e-01  5.3745700000e-01 -4.4074900000e-01 -6.3517000000e-02  2.5060400000e-01  9.2162600000e-01 -2.1359570000e+00  1.6107670000e+00 -4.4903200000e-01 -2.9088390000e+00  1.2019630000e+00 -5.9462000000e-02 -2.3603040000e+00  1.7157410000e+00 -1.3736290000e+00
-ENERGY -1.526585399805e+02
-FORCES -1.2969700000e-02  1.2024800000e-02  5.0770000000e-04  6.1140000000e-03 -5.3224000000e-03 -3.1874000000e-03  4.7620000000e-04 -1.9651000000e-03 -1.4487000000e-03 -2.1090000000e-04 -4.7317000000e-03  1.2884000000e-03  3.9593000000e-03  2.5722000000e-03 -2.2890000000e-03  2.6311000000e-03 -2.5779000000e-03  5.1290000000e-03
-
-JOB 199
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2848900000e-01  4.6015900000e-01 -1.3450300000e-01  9.1621000000e-02 -4.1321900000e-01  8.5853800000e-01 -2.2819870000e+00  1.8795250000e+00 -2.4803100000e-01 -1.5511920000e+00  1.5945800000e+00  3.0058300000e-01 -2.0169710000e+00  1.6503510000e+00 -1.1388040000e+00
-ENERGY -1.526582212519e+02
-FORCES  3.7395000000e-03 -2.3449000000e-03  1.7932000000e-03 -5.1681000000e-03 -1.2570000000e-03  8.4040000000e-04 -7.2500000000e-04  3.4709000000e-03 -3.9062000000e-03  8.6073000000e-03 -8.1193000000e-03 -1.8761000000e-03 -4.2709000000e-03  5.4182000000e-03  1.8696000000e-03 -2.1828000000e-03  2.8321000000e-03  1.2792000000e-03
-
-JOB 200
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9707500000e-01 -7.6243400000e-01  4.2102100000e-01  6.1554700000e-01  7.1385300000e-01  1.6657600000e-01 -5.7044900000e-01  2.3193700000e-01 -2.6918400000e+00  2.1442500000e-01  7.2782500000e-01 -2.9248660000e+00 -4.1629000000e-01 -5.1875000000e-02 -1.7907750000e+00
-ENERGY -1.526595226827e+02
-FORCES  2.4986000000e-03  1.5859000000e-03 -1.0235000000e-03 -1.4656000000e-03  4.4525000000e-03 -2.7101000000e-03 -2.3401000000e-03 -4.4766000000e-03 -1.4333000000e-03  4.6703000000e-03 -7.2650000000e-04  1.3478800000e-02 -1.9192000000e-03 -8.9720000000e-04  1.2799000000e-03 -1.4440000000e-03  6.1800000000e-05 -9.5918000000e-03
-
-JOB 201
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0856000000e-02 -8.8079700000e-01 -3.6976300000e-01 -2.5008600000e-01 -1.3988400000e-01  9.1330200000e-01  2.3551050000e+00  1.1481720000e+00 -6.5061000000e-01  1.5521070000e+00  6.9331900000e-01 -3.9657300000e-01  2.3657720000e+00  1.1004720000e+00 -1.6065610000e+00
-ENERGY -1.526595411608e+02
-FORCES  3.7585000000e-03  1.5000000000e-06  1.8352000000e-03  1.3944000000e-03  5.7141000000e-03  1.8510000000e-03  1.2288000000e-03 -4.0690000000e-04 -5.2817000000e-03 -1.5131900000e-02 -5.3726000000e-03  2.4484000000e-03  9.7053000000e-03  1.2827000000e-03 -3.6328000000e-03 -9.5520000000e-04 -1.2188000000e-03  2.7800000000e-03
-
-JOB 202
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1606800000e-01  3.9066100000e-01 -3.1248800000e-01  2.0164000000e-02  2.0229500000e-01  9.3536200000e-01 -4.9163600000e-01  5.6871500000e-01  2.6686390000e+00 -1.0409100000e-01  1.3769640000e+00  3.0044570000e+00 -1.4354410000e+00  7.2610000000e-01  2.6949780000e+00
-ENERGY -1.526595007519e+02
-FORCES -4.2907000000e-03  3.7309000000e-03  1.3543800000e-02  1.6967000000e-03 -9.9550000000e-04  1.2158000000e-03  2.5963000000e-03 -8.6890000000e-04 -9.5096000000e-03 -2.6368000000e-03  2.0794000000e-03 -1.5006000000e-03 -2.5563000000e-03 -4.1302000000e-03 -2.8283000000e-03  5.1907000000e-03  1.8430000000e-04 -9.2110000000e-04
-
-JOB 203
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5095600000e-01  8.9294100000e-01 -2.3645100000e-01  8.2283300000e-01 -1.4932300000e-01 -4.6570500000e-01  2.4502890000e+00 -2.9970400000e-01 -1.6637130000e+00  2.5112140000e+00 -6.8256800000e-01 -2.5388900000e+00  3.2450810000e+00 -5.9248200000e-01 -1.2178230000e+00
-ENERGY -1.526618366698e+02
-FORCES  6.9323000000e-03  1.9695000000e-03 -6.3181000000e-03  3.6230000000e-04 -2.6561000000e-03  7.6820000000e-04 -7.2571000000e-03  7.0380000000e-04  6.7811000000e-03  2.8961000000e-03 -2.9386000000e-03 -2.8082000000e-03  1.0962000000e-03  1.8339000000e-03  4.1190000000e-03 -4.0298000000e-03  1.0875000000e-03 -2.5420000000e-03
-
-JOB 204
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0173100000e-01  6.1015700000e-01  4.2645000000e-01  1.6807200000e-01 -8.4030300000e-01  4.2646700000e-01  2.1262590000e+00  1.4444980000e+00  1.0324780000e+00  2.8111860000e+00  1.0702980000e+00  4.7832900000e-01  2.1733590000e+00  2.3864820000e+00  8.6913800000e-01
-ENERGY -1.526609002704e+02
-FORCES  1.0113300000e-02  5.8044000000e-03  8.0194000000e-03 -7.3696000000e-03 -4.9392000000e-03 -5.1057000000e-03  4.1720000000e-04  2.3142000000e-03 -1.6342000000e-03  1.0445000000e-03 -7.7000000000e-06 -4.3350000000e-03 -3.9776000000e-03  2.1234000000e-03  3.0395000000e-03 -2.2780000000e-04 -5.2952000000e-03  1.6000000000e-05
-
-JOB 205
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1684500000e-01 -4.9526900000e-01  3.9632400000e-01  9.4092000000e-02 -1.5243000000e-01 -9.4028900000e-01  3.7995600000e-01  2.5805210000e+00  8.4991800000e-01  5.7841900000e-01  1.6995000000e+00  5.3267100000e-01  2.4670900000e-01  2.4721590000e+00  1.7915840000e+00
-ENERGY -1.526572714934e+02
-FORCES -1.9610000000e-04  1.1620000000e-04 -2.3700000000e-03 -3.0252000000e-03  6.4075000000e-03 -1.4106000000e-03  4.3720000000e-04  1.0141000000e-03  5.5601000000e-03 -4.2333000000e-03 -1.4224600000e-02 -2.2612000000e-03  5.9927000000e-03  6.9164000000e-03  3.1564000000e-03  1.0247000000e-03 -2.2960000000e-04 -2.6747000000e-03
-
-JOB 206
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7129000000e-02  9.0307100000e-01 -3.1213900000e-01  8.5015500000e-01 -3.0884100000e-01 -3.1318700000e-01 -8.5761300000e-01  2.5583520000e+00 -5.2536800000e-01 -1.7404380000e+00  2.8716020000e+00 -3.2857800000e-01 -2.8021400000e-01  3.2521180000e+00 -2.0673000000e-01
-ENERGY -1.526598953431e+02
-FORCES -3.2099000000e-03  1.0008800000e-02 -3.4089000000e-03  6.5768000000e-03 -8.0035000000e-03  1.4959000000e-03 -2.5418000000e-03  3.1892000000e-03  6.3660000000e-04 -3.0796000000e-03 -1.9198000000e-03  3.7398000000e-03  4.7007000000e-03  9.2110000000e-04 -9.4800000000e-04 -2.4463000000e-03 -4.1958000000e-03 -1.5155000000e-03
-
-JOB 207
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7497000000e-02 -9.3100300000e-01  2.1484900000e-01 -6.9047800000e-01  3.3597900000e-01  5.7148000000e-01 -2.5993460000e+00 -1.7662900000e+00 -1.7261120000e+00 -2.6983510000e+00 -8.1424700000e-01 -1.7326510000e+00 -1.8296550000e+00 -1.9312760000e+00 -2.2707100000e+00
-ENERGY -1.526563112469e+02
-FORCES -2.9962000000e-03 -3.5039000000e-03  4.2513000000e-03  8.5050000000e-04  4.1643000000e-03 -1.0821000000e-03  2.7152000000e-03 -6.8900000000e-04 -2.7605000000e-03  3.8646000000e-03  4.5673000000e-03 -2.9111000000e-03 -1.0699000000e-03 -4.0479000000e-03  3.1790000000e-04 -3.3642000000e-03 -4.9090000000e-04  2.1844000000e-03
-
-JOB 208
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4676100000e-01  8.8675700000e-01  3.2917300000e-01  2.9090100000e-01  3.1123000000e-02 -9.1139400000e-01  3.7550900000e-01  2.6493540000e+00  5.4790700000e-01 -3.3906000000e-01  3.0935670000e+00  9.1511000000e-02  1.9818100000e-01  2.8007920000e+00  1.4762680000e+00
-ENERGY -1.526599446492e+02
-FORCES  4.7447000000e-03  1.5952700000e-02  6.3920000000e-04 -3.1833000000e-03 -9.4927000000e-03  6.8100000000e-04 -1.4837000000e-03  1.3720000000e-04  2.0300000000e-03 -3.9812000000e-03 -1.2546000000e-03 -3.6360000000e-04  3.8819000000e-03 -2.8554000000e-03  2.7038000000e-03  2.1500000000e-05 -2.4872000000e-03 -5.6902000000e-03
-
-JOB 209
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8229000000e-02  8.9104100000e-01  3.4854200000e-01  1.8732100000e-01  1.1265600000e-01 -9.3190700000e-01  1.5973100000e-01  2.7624360000e+00  6.5470900000e-01 -6.7041600000e-01  3.1340950000e+00  3.5645400000e-01  2.1421400000e-01  3.0073420000e+00  1.5784430000e+00
-ENERGY -1.526609314621e+02
-FORCES  2.8543000000e-03  1.2616300000e-02  3.3750000000e-04 -3.0566000000e-03 -9.6920000000e-03 -1.4407000000e-03 -1.2258000000e-03 -4.4250000000e-04  2.3337000000e-03 -1.7782000000e-03  2.3158000000e-03  2.1226000000e-03  4.3800000000e-03 -3.2681000000e-03  1.6707000000e-03 -1.1738000000e-03 -1.5294000000e-03 -5.0237000000e-03
-
-JOB 210
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1220400000e-01  6.6039000000e-02  5.0219100000e-01  6.0401100000e-01  5.9752000000e-01  4.4087700000e-01 -2.3757170000e+00 -1.9995100000e-01  1.4792640000e+00 -3.0975340000e+00  2.9377400000e-01  1.0901000000e+00 -2.4174870000e+00  9.2250000000e-03  2.4123940000e+00
-ENERGY -1.526606414601e+02
-FORCES -8.9347000000e-03  1.1640000000e-04  8.0057000000e-03  8.2487000000e-03  2.5846000000e-03 -6.6324000000e-03 -2.5513000000e-03 -1.7185000000e-03 -4.4530000000e-04 -1.2041000000e-03  1.2325000000e-03  1.6852000000e-03  4.6624000000e-03 -1.9688000000e-03  2.4194000000e-03 -2.2100000000e-04 -2.4610000000e-04 -5.0325000000e-03
-
-JOB 211
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0745600000e-01 -6.2462800000e-01  3.9632000000e-01 -2.2651400000e-01 -3.8861900000e-01 -8.4492500000e-01  5.4866100000e-01  2.8650120000e+00  3.5951100000e-01  3.4280500000e-01  1.9796110000e+00  5.9647000000e-02  3.1489400000e-01  2.8644460000e+00  1.2877270000e+00
-ENERGY -1.526613968833e+02
-FORCES  2.1966000000e-03 -3.9250000000e-03 -8.8230000000e-04 -3.4800000000e-03  2.2548000000e-03 -2.2586000000e-03  1.7173000000e-03  1.7840000000e-03  4.2253000000e-03 -3.2824000000e-03 -1.0061300000e-02  1.5790000000e-03  1.6026000000e-03  9.4596000000e-03 -3.3640000000e-04  1.2458000000e-03  4.8790000000e-04 -2.3270000000e-03
-
-JOB 212
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1793500000e-01 -7.2735400000e-01 -7.3109000000e-02 -2.6554500000e-01  6.1054700000e-01 -6.8771300000e-01 -2.1216990000e+00 -2.2783100000e+00 -2.4294200000e-01 -2.1122900000e+00 -3.2340300000e+00 -1.9057000000e-01 -2.9129550000e+00 -2.0198450000e+00  2.2965000000e-01
-ENERGY -1.526612904731e+02
-FORCES -5.3150000000e-03 -4.2868000000e-03 -3.4396000000e-03  5.6014000000e-03  8.0054000000e-03  1.3222000000e-03  6.8010000000e-04 -1.7132000000e-03  2.4466000000e-03 -3.4545000000e-03 -4.8969000000e-03  2.0520000000e-03 -1.3690000000e-03  4.2120000000e-03 -8.9000000000e-06  3.8570000000e-03 -1.3205000000e-03 -2.3723000000e-03
-
-JOB 213
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1553600000e-01 -2.7637200000e-01  4.0548000000e-02 -4.3902100000e-01 -6.9508800000e-01 -4.9025000000e-01 -8.4109000000e-02  1.0946530000e+00  2.8051710000e+00  6.5633700000e-01  5.5965700000e-01  3.0910910000e+00 -2.7362100000e-01  7.8787100000e-01  1.9184910000e+00
-ENERGY -1.526600808036e+02
-FORCES  1.5527000000e-03 -4.0876000000e-03 -3.4654000000e-03 -4.8666000000e-03  9.0670000000e-04  1.0993000000e-03  3.0330000000e-03  2.9916000000e-03  1.9813000000e-03  8.3040000000e-04 -4.8131000000e-03 -7.3633000000e-03 -1.7536000000e-03  1.6785000000e-03 -1.1834000000e-03  1.2041000000e-03  3.3238000000e-03  8.9315000000e-03
-
-JOB 214
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8369000000e-01  2.2695600000e-01 -5.0055300000e-01  3.0126700000e-01 -5.1898000000e-02  9.0707000000e-01 -1.4575030000e+00 -2.0390980000e+00 -1.1450700000e+00 -2.2345660000e+00 -1.5415130000e+00 -1.3996570000e+00 -8.2033500000e-01 -1.3733080000e+00 -8.8628200000e-01
-ENERGY -1.526604050879e+02
-FORCES  4.1010000000e-04 -2.6975000000e-03  2.6368000000e-03 -4.6721000000e-03 -2.7967000000e-03  2.3315000000e-03 -2.7690000000e-04  1.4421000000e-03 -4.9633000000e-03  4.8639000000e-03  1.2165000000e-02  6.0466000000e-03  2.0908000000e-03 -1.3883000000e-03  5.3150000000e-04 -2.4158000000e-03 -6.7248000000e-03 -6.5831000000e-03
-
-JOB 215
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5966800000e-01 -9.2494300000e-01 -1.8766400000e-01 -2.7261100000e-01  1.5157000000e-02  9.1743400000e-01  2.6594030000e+00  9.3864500000e-01 -1.4859000000e-02  2.4875280000e+00  1.1828810000e+00 -9.2427700000e-01  1.8601290000e+00  4.9550900000e-01  2.6978600000e-01
-ENERGY -1.526585786620e+02
-FORCES -1.5136000000e-03 -2.1985000000e-03  1.0808000000e-03  1.3245000000e-03  6.0568000000e-03  1.7354000000e-03  4.2661000000e-03 -1.9400000000e-04 -4.9201000000e-03 -1.4408500000e-02 -2.1864000000e-03 -3.6044000000e-03  2.3843000000e-03 -6.1020000000e-04  1.8654000000e-03  7.9473000000e-03 -8.6770000000e-04  3.8429000000e-03
-
-JOB 216
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9501500000e-01  3.1130400000e-01  1.3516600000e-01  5.5016800000e-01  6.6217100000e-01  4.1842100000e-01  8.3819200000e-01  2.0065250000e+00  1.5938440000e+00  1.6534060000e+00  2.3601170000e+00  1.2379920000e+00  1.0683080000e+00  1.7137600000e+00  2.4756420000e+00
-ENERGY -1.526583679297e+02
-FORCES  1.6408000000e-03  1.4519000000e-02  1.1106400000e-02  1.3289000000e-03 -2.0880000000e-03 -8.7000000000e-04  2.6891000000e-03 -5.2782000000e-03 -6.4658000000e-03 -1.6510000000e-04 -4.0700000000e-03  6.5490000000e-04 -4.8417000000e-03 -5.0266000000e-03  6.6730000000e-04 -6.5200000000e-04  1.9438000000e-03 -5.0927000000e-03
-
-JOB 217
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7349200000e-01 -5.8415900000e-01  5.9228000000e-01  1.0191900000e-01 -3.9984800000e-01 -8.6369300000e-01  2.6894500000e-01  2.7092680000e+00  3.8794600000e-01  6.4769000000e-02  1.8516930000e+00  1.4971000000e-02 -6.9938000000e-02  2.6688730000e+00  1.2822380000e+00
-ENERGY -1.526594284308e+02
-FORCES  4.2992000000e-03  1.8154000000e-03  2.1168000000e-03 -2.8856000000e-03  1.3866000000e-03 -3.5410000000e-03  1.1670000000e-04  2.5888000000e-03  4.5508000000e-03 -2.9546000000e-03 -1.4573800000e-02  7.7600000000e-04 -8.9100000000e-05  8.3021000000e-03 -2.1259000000e-03  1.5134000000e-03  4.8100000000e-04 -1.7766000000e-03
-
-JOB 218
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1494400000e-01 -6.3644700000e-01  4.8000000000e-03 -3.7334000000e-01  7.7718600000e-01 -4.1572900000e-01  1.6518930000e+00  2.7703560000e+00  8.8873200000e-01  2.3444340000e+00  2.2277380000e+00  1.2658040000e+00  1.7588410000e+00  2.6726880000e+00 -5.7447000000e-02
-ENERGY -1.526546839198e+02
-FORCES -5.0192000000e-03  1.7832000000e-03 -4.7950000000e-04  2.9979000000e-03  2.7520000000e-03  2.1760000000e-04  1.8610000000e-03 -3.9284000000e-03 -2.3610000000e-04  3.5421000000e-03 -5.3036000000e-03 -1.4991000000e-03 -1.7563000000e-03  3.5808000000e-03 -1.2096000000e-03 -1.6255000000e-03  1.1160000000e-03  3.2066000000e-03
-
-JOB 219
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4761000000e-02  8.4705600000e-01  4.4106000000e-01  1.8525500000e-01  1.9317400000e-01 -9.1901900000e-01  7.0086200000e-01  2.6909140000e+00  5.7151100000e-01  8.8619000000e-02  3.2822220000e+00  1.3362400000e-01  5.2505300000e-01  2.8114390000e+00  1.5046760000e+00
-ENERGY -1.526587792226e+02
-FORCES  5.3582000000e-03  1.3254300000e-02 -9.7510000000e-04 -4.4921000000e-03 -7.5443000000e-03  2.3919000000e-03 -1.4998000000e-03 -1.5735000000e-03  1.6557000000e-03 -1.7892000000e-03  2.8658000000e-03  4.8000000000e-04  2.9630000000e-03 -3.9987000000e-03  2.2350000000e-03 -5.4010000000e-04 -3.0036000000e-03 -5.7875000000e-03
-
-JOB 220
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1744000000e-02 -8.4645100000e-01 -4.4498200000e-01 -1.9735000000e-01 -1.9992500000e-01  9.1504900000e-01 -5.2211800000e-01 -3.0117400000e-01  2.5946350000e+00 -1.4083220000e+00 -7.3493000000e-02  2.8757690000e+00 -4.9672600000e-01 -1.2573110000e+00  2.6319160000e+00
-ENERGY -1.526574574320e+02
-FORCES -3.3959000000e-03 -1.5680000000e-03  1.6544400000e-02 -4.5000000000e-04  1.5476000000e-03  4.0710000000e-03  1.8936000000e-03 -4.0759000000e-03 -1.0255900000e-02 -2.5802000000e-03  4.7960000000e-04 -4.4421000000e-03  4.9466000000e-03 -2.4632000000e-03 -1.3821000000e-03 -4.1410000000e-04  6.0800000000e-03 -4.5353000000e-03
-
-JOB 221
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3646800000e-01  4.9163800000e-01 -5.1906900000e-01  3.2997300000e-01  5.2609000000e-02  8.9698500000e-01 -1.8794240000e+00 -1.8184770000e+00 -9.5254600000e-01 -2.7109100000e+00 -1.4027840000e+00 -1.1807170000e+00 -1.3123770000e+00 -1.0931310000e+00 -6.9070100000e-01
-ENERGY -1.526613758307e+02
-FORCES  8.1670000000e-04 -2.0464000000e-03  7.5220000000e-04 -2.6110000000e-03 -1.8361000000e-03  3.5374000000e-03 -1.3270000000e-04  1.1940000000e-03 -4.7066000000e-03  5.9810000000e-03  8.4623000000e-03  3.6767000000e-03  3.0956000000e-03 -2.9250000000e-04  8.8940000000e-04 -7.1495000000e-03 -5.4813000000e-03 -4.1492000000e-03
-
-JOB 222
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0338300000e-01 -1.6953400000e-01  2.6718900000e-01 -6.1455000000e-02  2.1598700000e-01 -9.3048600000e-01 -2.6759710000e+00 -8.8925200000e-01  3.1959100000e-01 -2.7099380000e+00 -1.6476960000e+00 -2.6336700000e-01 -2.6811260000e+00 -1.2633440000e+00  1.2006470000e+00
-ENERGY -1.526604234435e+02
-FORCES -1.3126400000e-02 -1.7543000000e-03 -1.6207000000e-03  9.7722000000e-03  1.8477000000e-03  1.7002000000e-03  4.8910000000e-04 -1.2610000000e-03  2.2920000000e-03  9.4430000000e-04 -5.2967000000e-03 -3.6800000000e-04  1.1820000000e-04  4.0037000000e-03  3.1002000000e-03  1.8026000000e-03  2.4606000000e-03 -5.1037000000e-03
-
-JOB 223
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4133100000e-01 -4.1586800000e-01  4.4013100000e-01  7.5398000000e-02 -2.7898800000e-01 -9.1253100000e-01 -1.4576320000e+00 -2.7101580000e+00 -7.9664200000e-01 -2.2259240000e+00 -3.2787750000e+00 -7.4532300000e-01 -1.7844840000e+00 -1.8998090000e+00 -1.1874550000e+00
-ENERGY -1.526543939023e+02
-FORCES  3.9015000000e-03 -6.2185000000e-03 -6.7740000000e-04 -2.0566000000e-03  3.1835000000e-03 -1.5057000000e-03 -2.4700000000e-03  1.8826000000e-03  2.6734000000e-03 -5.1023000000e-03  2.3825000000e-03  3.4670000000e-04  3.1792000000e-03  2.5260000000e-03  1.2280000000e-04  2.5482000000e-03 -3.7561000000e-03 -9.5990000000e-04
-
-JOB 224
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9072900000e-01 -5.1522900000e-01  4.1673100000e-01  2.7378000000e-02 -2.6180300000e-01 -9.2029400000e-01  1.9483750000e+00 -1.8036750000e+00  7.9763500000e-01  2.6692690000e+00 -1.2868160000e+00  4.3791200000e-01  2.1317500000e+00 -1.8508590000e+00  1.7359200000e+00
-ENERGY -1.526592855082e+02
-FORCES  8.6349000000e-03 -1.2232800000e-02  2.0703000000e-03 -3.2844000000e-03  9.3325000000e-03 -2.1969000000e-03  6.2660000000e-04  1.3814000000e-03  2.2983000000e-03  1.7473000000e-03  1.0787000000e-03  1.4690000000e-03 -6.6151000000e-03 -1.0808000000e-03  1.8218000000e-03 -1.1093000000e-03  1.5209000000e-03 -5.4625000000e-03
-
-JOB 225
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8500000000e-02  9.0977800000e-01  2.9504900000e-01 -2.1251600000e-01  4.0901000000e-02 -9.3241400000e-01  4.4540000000e-02  2.6651700000e+00  6.8160700000e-01 -8.3670100000e-01  3.0279580000e+00  5.9199600000e-01  3.1054200000e-01  2.8978420000e+00  1.5711790000e+00
-ENERGY -1.526605838890e+02
-FORCES  1.1425000000e-03  1.4661500000e-02  1.1514000000e-03 -2.2596000000e-03 -1.0052800000e-02 -1.9646000000e-03 -1.3490000000e-04  6.3680000000e-04  2.7412000000e-03 -1.0702000000e-03 -1.2143000000e-03  2.3372000000e-03  4.7510000000e-03 -3.0409000000e-03  4.7680000000e-04 -2.4288000000e-03 -9.9020000000e-04 -4.7420000000e-03
-
-JOB 226
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1445900000e-01  6.3087500000e-01 -8.8189000000e-02  4.3050700000e-01 -8.1603200000e-01  2.5492500000e-01 -5.4049000000e-01 -2.7633100000e-01 -2.7561720000e+00  9.7800000000e-02  3.7789000000e-01 -3.0404470000e+00 -3.7476800000e-01 -3.8208600000e-01 -1.8193770000e+00
-ENERGY -1.526585270799e+02
-FORCES  3.9137000000e-03  1.2287000000e-03  1.0244000000e-03 -3.7281000000e-03 -4.1342000000e-03 -1.4392000000e-03 -2.6095000000e-03  4.4775000000e-03 -4.0487000000e-03  2.9263000000e-03  3.5597000000e-03  1.2770300000e-02 -1.3294000000e-03 -1.7417000000e-03  1.4705000000e-03  8.2690000000e-04 -3.3900000000e-03 -9.7773000000e-03
-
-JOB 227
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2005600000e-01  9.2319400000e-01 -1.2457900000e-01  8.4380000000e-01 -1.0694700000e-01 -4.3908600000e-01 -3.3543500000e-01 -2.9963300000e-01  2.6302380000e+00 -3.4995400000e-01  6.2493600000e-01  2.8776080000e+00 -1.7580600000e-01 -2.9307500000e-01  1.6864650000e+00
-ENERGY -1.526583779958e+02
-FORCES  1.3022000000e-03  1.6059000000e-03  5.6927000000e-03  2.2417000000e-03 -4.8472000000e-03  2.1486000000e-03 -4.7124000000e-03  1.7656000000e-03  2.2475000000e-03  2.8230000000e-03  3.0324000000e-03 -1.7389600000e-02 -7.8200000000e-05 -1.8890000000e-03 -2.0540000000e-03 -1.5764000000e-03  3.3230000000e-04  9.3548000000e-03
-
-JOB 228
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6787200000e-01  6.3732100000e-01  2.5298200000e-01  3.3444400000e-01 -8.3788900000e-01  3.1987600000e-01  1.9966810000e+00  1.7488480000e+00  5.8450700000e-01  2.8742200000e+00  1.5384380000e+00  2.6531200000e-01  1.8656010000e+00  2.6649440000e+00  3.3992900000e-01
-ENERGY -1.526604581239e+02
-FORCES  1.2048200000e-02  8.1875000000e-03  4.7998000000e-03 -7.6825000000e-03 -5.7443000000e-03 -2.0727000000e-03  2.1160000000e-04  2.5737000000e-03 -1.0791000000e-03 -1.9522000000e-03 -1.9102000000e-03 -4.2118000000e-03 -4.2261000000e-03  1.8477000000e-03  1.7649000000e-03  1.6010000000e-03 -4.9544000000e-03  7.9890000000e-04
-
-JOB 229
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3652400000e-01  1.5931400000e-01  1.1736000000e-01  4.2072000000e-01  5.3615900000e-01  6.7213100000e-01 -2.0853670000e+00  4.7226800000e-01 -2.9844460000e+00 -2.7579400000e+00 -1.2675600000e-01 -2.6603360000e+00 -2.3993520000e+00  7.4117300000e-01 -3.8477740000e+00
-ENERGY -1.526532559974e+02
-FORCES -2.6249000000e-03  3.8083000000e-03  1.8074000000e-03  3.4998000000e-03 -1.6576000000e-03  8.7640000000e-04 -1.5198000000e-03 -2.2451000000e-03 -2.6823000000e-03 -3.4649000000e-03 -1.7671000000e-03 -3.2422000000e-03  2.7537000000e-03  2.9678000000e-03 -4.1530000000e-04  1.3562000000e-03 -1.1062000000e-03  3.6560000000e-03
-
-JOB 230
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2087300000e-01  4.7324500000e-01 -1.3578800000e-01 -1.5655000000e-02 -1.8904800000e-01  9.3821500000e-01 -1.4738920000e+00 -1.5462690000e+00 -1.7846880000e+00 -2.3755130000e+00 -1.3778390000e+00 -1.5109330000e+00 -9.4309500000e-01 -9.8118300000e-01 -1.2232930000e+00
-ENERGY -1.526612153393e+02
-FORCES  8.3530000000e-04 -2.1230000000e-03 -1.1750000000e-04 -3.7420000000e-03 -2.2955000000e-03  2.2061000000e-03  8.0750000000e-04  2.0285000000e-03 -4.3048000000e-03  4.5704000000e-03  7.9901000000e-03  8.3604000000e-03  2.6716000000e-03 -5.4950000000e-04 -9.2000000000e-06 -5.1427000000e-03 -5.0506000000e-03 -6.1350000000e-03
-
-JOB 231
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9591100000e-01  4.8564600000e-01 -4.4281800000e-01 -1.4609800000e-01  1.6669900000e-01  9.3118100000e-01 -3.4242800000e-01 -2.5599810000e+00 -6.4700600000e-01 -1.2585400000e-01 -1.6775170000e+00 -3.4603400000e-01 -2.0871600000e-01 -2.5300100000e+00 -1.5943470000e+00
-ENERGY -1.526593562706e+02
-FORCES -5.0398000000e-03 -5.5601000000e-03 -9.4980000000e-04  3.8230000000e-03 -2.5387000000e-03  2.6587000000e-03 -7.4500000000e-05 -1.4347000000e-03 -5.5510000000e-03  4.2016000000e-03  1.7932400000e-02  2.4484000000e-03 -1.9311000000e-03 -9.5066000000e-03 -1.0111000000e-03 -9.7930000000e-04  1.1078000000e-03  2.4049000000e-03
-
-JOB 232
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3240500000e-01 -2.8509600000e-01 -3.7690100000e-01 -6.6399000000e-01 -4.8465300000e-01 -4.9036800000e-01 -1.0940000000e-02  9.2362900000e-01  2.5285470000e+00  7.4316000000e-01  4.6290700000e-01  2.8963810000e+00 -1.0228000000e-01  5.6722000000e-01  1.6448840000e+00
-ENERGY -1.526595372552e+02
-FORCES  8.2180000000e-04  5.4430000000e-04  4.7113000000e-03 -4.8043000000e-03  2.9200000000e-04  1.4069000000e-03  4.5101000000e-03  1.9976000000e-03  1.6667000000e-03  1.3014000000e-03 -6.8357000000e-03 -1.4015100000e-02 -1.4639000000e-03  1.0879000000e-03 -1.8117000000e-03 -3.6500000000e-04  2.9140000000e-03  8.0418000000e-03
-
-JOB 233
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5945100000e-01  5.7863500000e-01 -6.8173000000e-02  3.4520400000e-01 -8.0445200000e-01  3.8720000000e-01  1.3710190000e+00 -1.8832830000e+00  1.5094030000e+00  1.3262170000e+00 -2.6924520000e+00  1.0000220000e+00  1.1710060000e+00 -2.1526570000e+00  2.4058770000e+00
-ENERGY -1.526595058931e+02
-FORCES  9.4518000000e-03 -6.7285000000e-03  8.6736000000e-03 -2.4091000000e-03 -9.1650000000e-04 -4.0110000000e-04 -4.6649000000e-03  1.6223000000e-03 -7.8396000000e-03 -2.3153000000e-03 -1.4010000000e-04  2.5433000000e-03 -1.8216000000e-03  6.1106000000e-03  1.8049000000e-03  1.7591000000e-03  5.2200000000e-05 -4.7811000000e-03
-
-JOB 234
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6576700000e-01  9.1181900000e-01  1.1910700000e-01  8.9253600000e-01  5.2861000000e-02 -3.4178600000e-01 -2.6778300000e-01 -6.0728400000e-01  2.4715480000e+00 -3.6636300000e-01  3.2802100000e-01  2.6496460000e+00 -4.3122000000e-02 -6.5224100000e-01  1.5421730000e+00
-ENERGY -1.526536710786e+02
-FORCES -1.2973000000e-03  1.1484000000e-03  1.3612700000e-02  2.6007000000e-03 -4.7814000000e-03  8.7830000000e-04 -4.9849000000e-03 -1.6390000000e-04  4.0315000000e-03  2.5484000000e-03  7.1412000000e-03 -2.3833600000e-02 -1.1310000000e-04 -1.0982000000e-03 -1.2881000000e-03  1.2461000000e-03 -2.2461000000e-03  6.5992000000e-03
-
-JOB 235
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5655800000e-01 -5.5884000000e-01  6.9050400000e-01  5.7596200000e-01  7.6444100000e-01 -1.1411000000e-02 -2.4460690000e+00  8.5247800000e-01  2.6330400000e-01 -2.8258910000e+00  8.3723300000e-01 -6.1518100000e-01 -1.5301460000e+00  6.0681600000e-01  1.3304900000e-01
-ENERGY -1.526586484034e+02
-FORCES -8.5621000000e-03  2.1388000000e-03  4.4454000000e-03 -4.3290000000e-04  3.9988000000e-03 -3.8813000000e-03 -4.8053000000e-03 -4.0248000000e-03  8.2080000000e-04  1.8426000000e-02 -8.3031000000e-03 -3.4972000000e-03  2.6181000000e-03 -9.9400000000e-05  1.8369000000e-03 -7.2439000000e-03  6.2897000000e-03  2.7540000000e-04
-
-JOB 236
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9715000000e-01  4.8111000000e-01 -4.4581100000e-01 -1.6074200000e-01  1.5248900000e-01  9.3120400000e-01 -8.7215500000e-01  4.5633200000e-01  2.6897710000e+00 -1.7699840000e+00  7.8799800000e-01  2.7012840000e+00 -3.5319400000e-01  1.1547140000e+00  3.0887360000e+00
-ENERGY -1.526603839960e+02
-FORCES -5.9049000000e-03  2.5833000000e-03  1.0393000000e-02  1.6801000000e-03 -1.2019000000e-03  1.4395000000e-03  4.6867000000e-03 -1.2250000000e-04 -9.3187000000e-03 -2.5040000000e-03  3.0939000000e-03  1.2515000000e-03  4.9595000000e-03 -8.6320000000e-04 -3.7660000000e-04 -2.9173000000e-03 -3.4896000000e-03 -3.3888000000e-03
-
-JOB 237
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2947400000e-01 -8.2388900000e-01 -4.2986100000e-01 -2.5826700000e-01 -1.2565100000e-01  9.1309500000e-01 -5.3955200000e-01 -2.8138650000e+00 -3.1955900000e-01  2.2139800000e-01 -3.3890540000e+00 -2.3989900000e-01 -7.1767200000e-01 -2.7803030000e+00 -1.2594410000e+00
-ENERGY -1.526582795323e+02
-FORCES -3.4044000000e-03 -1.2432900000e-02  3.2804000000e-03  3.1580000000e-04  6.7756000000e-03 -5.0093000000e-03  1.3803000000e-03  2.3016000000e-03 -1.8734000000e-03  3.6468000000e-03 -2.7882000000e-03 -1.3105000000e-03 -4.2410000000e-03  2.4785000000e-03 -7.8500000000e-04  2.3025000000e-03  3.6653000000e-03  5.6977000000e-03
-
-JOB 238
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4244900000e-01 -5.1578000000e-02 -9.2454900000e-01 -9.3226500000e-01 -2.1646300000e-01  1.6066000000e-02  3.6339980000e+00  7.5907000000e-02 -6.2878800000e-01  4.5695390000e+00 -1.1956300000e-01 -6.8158300000e-01  3.2065040000e+00 -6.9312400000e-01 -1.0057130000e+00
-ENERGY -1.526531778480e+02
-FORCES -2.8622000000e-03  3.1000000000e-05 -3.7320000000e-03 -8.9700000000e-04 -1.1349000000e-03  3.7153000000e-03  4.0418000000e-03  9.1690000000e-04  8.4500000000e-05  2.2009000000e-03 -4.3558000000e-03 -6.3210000000e-04 -3.9087000000e-03  8.8810000000e-04  2.9830000000e-04  1.4252000000e-03  3.6547000000e-03  2.6600000000e-04
-
-JOB 239
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3908300000e-01  9.0915600000e-01 -1.8029300000e-01  7.6479400000e-01 -1.6113300000e-01 -5.5259200000e-01  2.0782400000e+00 -1.0266300000e-01 -1.8516750000e+00  2.8577570000e+00 -6.5776400000e-01 -1.8305220000e+00  1.9001950000e+00  2.5634000000e-02 -2.7833780000e+00
-ENERGY -1.526608539919e+02
-FORCES  9.6535000000e-03  2.2962000000e-03 -8.9451000000e-03  3.2200000000e-05 -2.4294000000e-03  1.3500000000e-04 -6.0424000000e-03 -6.6290000000e-04  6.6601000000e-03 -1.7474000000e-03 -1.2732000000e-03 -1.0927000000e-03 -4.1000000000e-03  2.6912000000e-03 -1.0566000000e-03  2.2040000000e-03 -6.2190000000e-04  4.2993000000e-03
-
-JOB 240
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3546000000e-02  9.5071500000e-01  1.0235800000e-01  8.3679200000e-01 -1.5616700000e-01 -4.3774700000e-01  1.0591800000e-01 -5.8552300000e-01  2.9204670000e+00  1.7840100000e-01  3.2752800000e-01  3.1985240000e+00  2.8586000000e-01 -5.6516100000e-01  1.9805530000e+00
-ENERGY -1.526589891998e+02
-FORCES  9.1260000000e-04  4.3202000000e-03 -4.1236000000e-03  1.2092000000e-03 -5.1756000000e-03  9.2850000000e-04 -4.0341000000e-03  7.6370000000e-04  4.0459000000e-03 -5.3910000000e-04  3.6581000000e-03 -9.1130000000e-03 -2.3640000000e-04 -2.4739000000e-03 -1.3150000000e-03  2.6878000000e-03 -1.0925000000e-03  9.5772000000e-03
-
-JOB 241
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0874600000e-01  7.8475800000e-01  2.0387100000e-01  3.0933500000e-01 -6.5563800000e-01  6.2504500000e-01 -3.5090800000e-01  5.3260000000e-01 -2.6018640000e+00 -2.0827400000e-01  4.4227500000e-01 -1.6596700000e+00  4.8775700000e-01  8.4342200000e-01 -2.9428370000e+00
-ENERGY -1.526565031412e+02
-FORCES  8.8700000000e-04 -2.4877000000e-03 -4.6727000000e-03 -2.5375000000e-03 -4.6991000000e-03 -5.0806000000e-03 -6.9750000000e-04  4.9597000000e-03 -1.4168000000e-03  3.1021000000e-03 -5.2462000000e-03  1.2968300000e-02  1.2698000000e-03  8.1239000000e-03 -4.7054000000e-03 -2.0239000000e-03 -6.5060000000e-04  2.9071000000e-03
-
-JOB 242
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5448700000e-01  4.0631500000e-01 -4.2648500000e-01 -2.0527400000e-01  3.4151000000e-02  9.3430600000e-01 -4.4690300000e-01  3.4586800000e-01  2.5930540000e+00 -1.3488030000e+00  6.0340100000e-01  2.7840640000e+00  8.7027000000e-02  1.0478640000e+00  2.9650120000e+00
-ENERGY -1.526587555200e+02
-FORCES -4.4652000000e-03  2.8489000000e-03  1.7513100000e-02  1.3540000000e-03 -7.7980000000e-04  2.6608000000e-03  5.5820000000e-04 -1.1820000000e-03 -9.7075000000e-03  1.6542000000e-03  2.8821000000e-03 -6.8672000000e-03  5.0950000000e-03 -4.2180000000e-04 -2.2548000000e-03 -4.1961000000e-03 -3.3474000000e-03 -1.3444000000e-03
-
-JOB 243
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6373100000e-01 -7.6150200000e-01 -1.3621300000e-01 -3.9404300000e-01  6.8905400000e-01 -5.3494500000e-01 -2.4004300000e+00 -1.1729690000e+00 -4.7999200000e-01 -2.3239610000e+00 -2.1104620000e+00 -3.0252900000e-01 -2.6663970000e+00 -7.9127800000e-01  3.5655100000e-01
-ENERGY -1.526566663218e+02
-FORCES -1.5136100000e-02 -5.0757000000e-03 -7.8077000000e-03  5.7411000000e-03 -1.5418000000e-03  5.2683000000e-03  2.0404000000e-03  1.4180000000e-04  2.6664000000e-03  1.1966000000e-03  2.4925000000e-03  4.7368000000e-03  3.3236000000e-03  6.3214000000e-03 -5.7000000000e-05  2.8344000000e-03 -2.3382000000e-03 -4.8068000000e-03
-
-JOB 244
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8652100000e-01  5.4474900000e-01  2.9417000000e-02  7.0454900000e-01  5.7994900000e-01  2.8896600000e-01  1.9806870000e+00  2.0486160000e+00 -1.6242460000e+00  2.5431480000e+00  1.3066250000e+00 -1.4021690000e+00  2.5311910000e+00  2.8184320000e+00 -1.4808570000e+00
-ENERGY -1.526554645436e+02
-FORCES -2.3320000000e-04  7.5135000000e-03 -1.0827000000e-03  2.1939000000e-03 -2.8119000000e-03  8.1240000000e-04 -1.4983000000e-03 -4.6353000000e-03  7.9590000000e-04  5.2302000000e-03 -5.7150000000e-04 -1.3627000000e-03 -2.7414000000e-03  4.0901000000e-03  9.2000000000e-04 -2.9511000000e-03 -3.5849000000e-03 -8.2900000000e-05
-
-JOB 245
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1715200000e-01  9.0571600000e-01  2.2080700000e-01  1.4319000000e-02 -2.3802000000e-02 -9.5679700000e-01 -2.6255090000e+00 -7.1948400000e-01 -6.7500000000e-04 -1.8116370000e+00 -2.4823600000e-01 -1.7891300000e-01 -2.6449130000e+00 -8.1321100000e-01  9.5172800000e-01
-ENERGY -1.526566546193e+02
-FORCES -8.2820000000e-04  1.7830000000e-04 -1.7772000000e-03 -2.8647000000e-03 -5.1615000000e-03 -1.3112000000e-03 -4.9306000000e-03  9.8890000000e-04  6.7099000000e-03  1.6174600000e-02  3.3886000000e-03  5.4716000000e-03 -6.0584000000e-03  2.4970000000e-04 -6.9104000000e-03 -1.4926000000e-03  3.5590000000e-04 -2.1827000000e-03
-
-JOB 246
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6154600000e-01 -5.5756500000e-01  7.6108900000e-01 -1.3098100000e-01  8.7446100000e-01  3.6659700000e-01  1.1442700000e-01  6.3410100000e-01 -2.6024400000e+00  8.9364500000e-01  3.1695500000e-01 -3.0590250000e+00  1.8214200000e-01  2.6006300000e-01 -1.7239520000e+00
-ENERGY -1.526602090229e+02
-FORCES  3.3690000000e-04  1.6431000000e-03 -3.7575000000e-03 -9.7490000000e-04  4.1987000000e-03 -2.1847000000e-03  1.1457000000e-03 -5.4477000000e-03 -1.1239000000e-03  1.4255000000e-03 -5.6920000000e-03  1.1850000000e-02 -2.0101000000e-03  1.7800000000e-04  2.3965000000e-03  7.7000000000e-05  5.1198000000e-03 -7.1803000000e-03
-
-JOB 247
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8040300000e-01  7.4499000000e-02  9.1217100000e-01  9.5525000000e-01  4.7889000000e-02  3.7900000000e-02 -1.0374240000e+00  2.2084610000e+00 -1.4735260000e+00 -7.3599000000e-01  1.3590730000e+00 -1.1511770000e+00 -2.3904300000e-01  2.7293180000e+00 -1.5602840000e+00
-ENERGY -1.526604522642e+02
-FORCES  1.1442000000e-03  2.3272000000e-03  4.1457000000e-03  2.5185000000e-03 -7.3450000000e-04 -4.3661000000e-03 -4.9196000000e-03  8.9160000000e-04 -1.8960000000e-04  6.5267000000e-03 -8.5230000000e-03  5.5509000000e-03 -3.3669000000e-03  7.7668000000e-03 -5.6822000000e-03 -1.9029000000e-03 -1.7280000000e-03  5.4130000000e-04
-
-JOB 248
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4900400000e-01 -8.8616500000e-01 -3.2976000000e-01 -3.1352300000e-01 -2.4479000000e-02  9.0406600000e-01  2.8291620000e+00  7.0235100000e-01 -3.9813400000e-01  2.5655830000e+00  9.1521900000e-01 -1.2933690000e+00  2.0278150000e+00  3.8635300000e-01  1.9263000000e-02
-ENERGY -1.526603756875e+02
-FORCES -3.5807000000e-03 -3.2226000000e-03  1.1396000000e-03  1.2726000000e-03  4.6915000000e-03  1.9192000000e-03  2.8536000000e-03 -3.7960000000e-04 -4.5842000000e-03 -1.1742000000e-02 -8.7150000000e-04 -1.4289000000e-03  2.2829000000e-03 -7.8970000000e-04  1.7770000000e-03  8.9135000000e-03  5.7190000000e-04  1.1774000000e-03
-
-JOB 249
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6966000000e-01 -3.8019000000e-01  1.2401400000e-01 -5.6224300000e-01 -7.4782600000e-01 -2.0216300000e-01 -5.7851000000e-01  1.0113420000e+00  2.7528490000e+00  2.3879000000e-02  3.6444200000e-01  3.1201090000e+00 -6.3026200000e-01  7.9033100000e-01  1.8229530000e+00
-ENERGY -1.526599063416e+02
-FORCES  2.8911000000e-03 -4.6100000000e-03 -2.0426000000e-03 -4.8170000000e-03  1.2766000000e-03  1.7660000000e-04  2.9534000000e-03  3.8884000000e-03  2.2735000000e-03  3.4103000000e-03 -4.6327000000e-03 -8.5387000000e-03 -1.4955000000e-03  1.7843000000e-03 -8.0390000000e-04 -2.9422000000e-03  2.2934000000e-03  8.9351000000e-03
-
-JOB 250
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4508200000e-01 -9.0691100000e-01 -1.8351700000e-01 -6.0100000000e-02  7.6852000000e-02  9.5221500000e-01 -1.3297080000e+00  1.9550290000e+00 -1.5306620000e+00 -6.8394200000e-01  2.5465220000e+00 -1.1441990000e+00 -1.0587770000e+00  1.0831090000e+00 -1.2432870000e+00
-ENERGY -1.526591417419e+02
-FORCES -2.0707000000e-03  3.3010000000e-04  3.3231000000e-03 -1.9920000000e-04  5.7422000000e-03  2.5700000000e-04  9.4860000000e-04 -1.0940000000e-03 -4.6120000000e-03  9.1961000000e-03 -7.0867000000e-03  8.4257000000e-03 -2.5624000000e-03  2.8010000000e-04 -1.1738000000e-03 -5.3124000000e-03  1.8284000000e-03 -6.2201000000e-03
-
-JOB 251
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9443600000e-01 -3.3020400000e-01  8.4745000000e-02  3.5226000000e-02  3.7434800000e-01 -8.8025800000e-01  2.1008730000e+00 -2.0834170000e+00  3.1904900000e-01  1.3713870000e+00 -1.5461340000e+00  1.0165000000e-02  2.2162560000e+00 -1.8281130000e+00  1.2343300000e+00
-ENERGY -1.526609832160e+02
-FORCES -4.3218000000e-03  2.4914000000e-03 -2.3337000000e-03  4.9925000000e-03  1.2818000000e-03 -8.0380000000e-04 -1.5370000000e-04 -3.1557000000e-03  4.4269000000e-03 -6.6915000000e-03  8.5544000000e-03  2.3765000000e-03  5.8226000000e-03 -7.3406000000e-03 -1.3889000000e-03  3.5200000000e-04 -1.8313000000e-03 -2.2770000000e-03
-
-JOB 252
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6072400000e-01  4.0194300000e-01 -1.1759400000e-01  6.6986000000e-02 -4.7214200000e-01  8.2995600000e-01  1.6632190000e+00 -2.6155220000e+00  7.0205600000e-01  7.3602400000e-01 -2.6495590000e+00  9.3739100000e-01  1.9751740000e+00 -3.5120250000e+00  8.2533900000e-01
-ENERGY -1.526542245807e+02
-FORCES  7.3287000000e-03 -1.1701000000e-03  2.3240000000e-03 -4.3870000000e-03  3.1450000000e-04  1.5970000000e-04 -2.5469000000e-03 -6.8070000000e-04 -2.7007000000e-03 -2.8623000000e-03 -4.9557000000e-03 -1.0510000000e-04  3.9643000000e-03  2.5220000000e-03  1.2477000000e-03 -1.4968000000e-03  3.9700000000e-03 -9.2560000000e-04
-
-JOB 253
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4389200000e-01 -8.1908700000e-01  2.1974700000e-01 -9.3223800000e-01 -2.0803300000e-01  6.2343000000e-02  7.7550600000e-01  2.8315500000e-01  3.5664900000e+00  7.9176100000e-01 -6.6980500000e-01  3.4779780000e+00  5.5252300000e-01  4.3510600000e-01  4.4848700000e+00
-ENERGY -1.526522088796e+02
-FORCES -1.8300000000e-03 -3.2029000000e-03  2.4391000000e-03 -1.8447000000e-03  2.6512000000e-03 -8.5120000000e-04  3.7138000000e-03  4.8030000000e-04 -6.5100000000e-04 -7.0290000000e-04 -2.9262000000e-03  3.3051000000e-03 -1.1460000000e-04  3.5074000000e-03 -1.5050000000e-04  7.7850000000e-04 -5.0980000000e-04 -4.0915000000e-03
-
-JOB 254
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5014700000e-01  9.6328000000e-02  6.4605000000e-02 -1.4706800000e-01 -3.4290900000e-01 -8.8148500000e-01 -4.7449100000e-01  1.8105060000e+00  3.3051760000e+00 -1.0268730000e+00  2.0811280000e+00  4.0385710000e+00 -2.7845600000e-01  8.8991700000e-01  3.4793000000e+00
-ENERGY -1.526537965794e+02
-FORCES  3.3003000000e-03  4.3600000000e-05 -3.6734000000e-03 -3.8771000000e-03 -1.1644000000e-03 -1.3080000000e-04  5.4040000000e-04  1.4046000000e-03  3.6747000000e-03 -2.0941000000e-03 -3.4695000000e-03  2.6615000000e-03  2.2093000000e-03 -9.7680000000e-04 -2.9690000000e-03 -7.8800000000e-05  4.1625000000e-03  4.3690000000e-04
-
-JOB 255
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4122100000e-01  4.0831400000e-01 -2.0459300000e-01  1.8322800000e-01  2.6633700000e-01  9.0095700000e-01 -3.3381900000e-01 -2.7768230000e+00 -6.1679300000e-01 -1.9513200000e-01 -1.8644230000e+00 -3.6277800000e-01 -3.4323400000e-01 -2.7607260000e+00 -1.5738110000e+00
-ENERGY -1.526616331402e+02
-FORCES -2.2034000000e-03  2.1098000000e-03  2.9674000000e-03  4.4208000000e-03 -2.7104000000e-03  1.1306000000e-03 -1.7338000000e-03 -9.7030000000e-04 -4.6848000000e-03  2.8384000000e-03  1.1287500000e-02 -5.2100000000e-05 -2.7564000000e-03 -1.0180800000e-02 -2.1355000000e-03 -5.6560000000e-04  4.6410000000e-04  2.7744000000e-03
-
-JOB 256
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5727000000e-02 -8.9104500000e-01 -3.4520300000e-01 -1.1081600000e-01 -1.1477100000e-01  9.4381100000e-01 -1.1479010000e+00  1.8244720000e+00 -2.1757780000e+00 -4.1193700000e-01  2.4325460000e+00 -2.2453040000e+00 -8.6953300000e-01  1.1847110000e+00 -1.5204530000e+00
-ENERGY -1.526613115873e+02
-FORCES -9.7800000000e-05 -3.8263000000e-03  4.5122000000e-03 -7.5360000000e-04  4.6728000000e-03  1.6468000000e-03  1.2730000000e-03 -7.1200000000e-04 -4.2533000000e-03  5.4637000000e-03 -2.3622000000e-03  6.4182000000e-03 -2.4856000000e-03 -1.5160000000e-03 -2.4260000000e-04 -3.3997000000e-03  3.7438000000e-03 -8.0813000000e-03
-
-JOB 257
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7041900000e-01 -9.3323400000e-01  1.2753100000e-01 -8.9447100000e-01  1.2607900000e-01  3.1663500000e-01  1.7663700000e-01  6.4264900000e-01 -2.5654170000e+00  3.1709400000e-01 -2.7173200000e-01 -2.8112010000e+00 -5.1270000000e-03  6.1346300000e-01 -1.6260860000e+00
-ENERGY -1.526567981949e+02
-FORCES  2.5370000000e-04 -2.5404000000e-03 -7.6286000000e-03 -1.9203000000e-03  4.6896000000e-03 -6.7600000000e-04  5.0315000000e-03 -6.4640000000e-04 -4.0661000000e-03  1.0850000000e-04 -7.4737000000e-03  1.8657900000e-02 -2.2320000000e-04  1.6644000000e-03  4.1520000000e-04 -3.2502000000e-03  4.3065000000e-03 -6.7023000000e-03
-
-JOB 258
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0027100000e-01 -2.1220500000e-01 -2.4640000000e-01 -5.4004300000e-01 -5.5293400000e-01 -5.6466700000e-01  1.7108480000e+00 -6.9994500000e-01  2.4732520000e+00  2.3991520000e+00 -2.3320700000e-01  1.9993050000e+00  2.1379250000e+00 -1.0117090000e+00  3.2711500000e+00
-ENERGY -1.526513650702e+02
-FORCES  2.0958000000e-03 -5.1065000000e-03 -8.9700000000e-04 -2.3840000000e-03  2.3903000000e-03  2.7400000000e-04  1.9048000000e-03  2.4038000000e-03  2.2923000000e-03  3.9589000000e-03  1.8780000000e-03  1.5499000000e-03 -2.9989000000e-03 -2.8038000000e-03  3.8280000000e-04 -2.5766000000e-03  1.2381000000e-03 -3.6020000000e-03
-
-JOB 259
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2388000000e-02  9.4908600000e-01 -1.0759100000e-01  9.0738300000e-01 -2.0767900000e-01 -2.2306400000e-01 -1.9182520000e+00 -1.9341660000e+00 -6.6228000000e-02 -1.1495440000e+00 -1.3643710000e+00 -9.1779000000e-02 -1.5872040000e+00 -2.7690960000e+00  2.6472500000e-01
-ENERGY -1.526597747852e+02
-FORCES -3.7193000000e-03  2.8140000000e-04 -1.3270000000e-03  2.7821000000e-03 -4.2234000000e-03  4.2370000000e-04 -4.8971000000e-03  8.0490000000e-04  1.1677000000e-03  9.3928000000e-03  8.5793000000e-03  1.4486000000e-03 -4.2424000000e-03 -8.6631000000e-03 -5.3130000000e-04  6.8390000000e-04  3.2208000000e-03 -1.1815000000e-03
-
-JOB 260
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3282400000e-01  5.0883500000e-01 -3.4682400000e-01  8.8560000000e-03  1.9939100000e-01  9.3616000000e-01 -7.1677300000e-01  7.5132000000e-01  2.6661780000e+00 -1.5070490000e+00  1.2914070000e+00  2.6672620000e+00 -3.6152000000e-02  1.3211820000e+00  3.0242920000e+00
-ENERGY -1.526593342087e+02
-FORCES -6.0304000000e-03  4.0693000000e-03  1.0829900000e-02  1.8372000000e-03 -1.2089000000e-03  2.6360000000e-04  5.5061000000e-03 -1.2548000000e-03 -7.5740000000e-03 -2.3612000000e-03  3.6964000000e-03  2.8370000000e-04  4.3453000000e-03 -2.1055000000e-03 -1.1360000000e-04 -3.2971000000e-03 -3.1965000000e-03 -3.6896000000e-03
-
-JOB 261
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2784100000e-01 -4.0390600000e-01 -2.6033100000e-01 -5.6128000000e-02  8.9665600000e-01 -3.3028700000e-01  1.1629550000e+00 -1.6244100000e-01 -3.1951750000e+00  1.5082060000e+00 -7.4429000000e-02 -4.0835940000e+00  2.7032400000e-01 -4.8638700000e-01 -3.3155880000e+00
-ENERGY -1.526529980505e+02
-FORCES -1.7638000000e-03  2.5570000000e-03 -3.4640000000e-03  3.1775000000e-03  1.3706000000e-03  3.7030000000e-04 -1.0830000000e-03 -3.4755000000e-03  2.4563000000e-03 -1.9798000000e-03 -2.1805000000e-03 -3.8346000000e-03 -1.4165000000e-03 -2.5060000000e-04  4.1774000000e-03  3.0655000000e-03  1.9791000000e-03  2.9460000000e-04
-
-JOB 262
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7644700000e-01 -8.9942600000e-01  1.7561800000e-01 -7.6137100000e-01  1.3170300000e-01  5.6497800000e-01  2.3393210000e+00  1.4311330000e+00  4.7770000000e-02  1.8477370000e+00  2.0920650000e+00 -4.3982200000e-01  1.7779290000e+00  6.5596500000e-01  3.4139000000e-02
-ENERGY -1.526567947338e+02
-FORCES  8.1730000000e-04  2.5451000000e-03  4.3072000000e-03  1.6106000000e-03  6.8011000000e-03 -3.6380000000e-04  3.0082000000e-03 -1.7164000000e-03 -3.3570000000e-03 -1.5550800000e-02 -4.2920000000e-03 -2.1508000000e-03  2.7124000000e-03  1.6220000000e-04  1.3905000000e-03  7.4024000000e-03 -3.4999000000e-03  1.7390000000e-04
-
-JOB 263
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4888300000e-01  3.4095000000e-01 -2.8174800000e-01  1.1958200000e-01 -2.0522900000e-01  9.2726100000e-01  2.3388340000e+00  9.8427000000e-01 -1.0019200000e+00  2.5984360000e+00  1.8115730000e+00 -5.9644700000e-01  2.8219640000e+00  9.5981600000e-01 -1.8278850000e+00
-ENERGY -1.526601974118e+02
-FORCES  1.1741300000e-02  3.0302000000e-03 -4.0499000000e-03 -7.2656000000e-03 -1.3380000000e-03  6.0180000000e-03  8.7770000000e-04  1.6309000000e-03 -2.8089000000e-03 -3.3640000000e-03 -8.0520000000e-04 -1.6211000000e-03 -1.2050000000e-03 -4.5845000000e-03 -2.0460000000e-03 -7.8430000000e-04  2.0665000000e-03  4.5078000000e-03
-
-JOB 264
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3363900000e-01  7.8577400000e-01  1.1841100000e-01  5.4977200000e-01 -7.1426100000e-01  3.2220100000e-01  1.7207290000e+00  2.0352300000e+00  6.7157700000e-01  1.2994660000e+00  2.8902870000e+00  5.8413500000e-01  2.4844280000e+00  2.0840260000e+00  9.6587000000e-02
-ENERGY -1.526602068115e+02
-FORCES  1.1386300000e-02  9.2874000000e-03  5.9273000000e-03 -7.1414000000e-03 -5.3023000000e-03 -4.3928000000e-03 -1.1564000000e-03  1.5779000000e-03 -1.4518000000e-03 -4.2400000000e-04  4.5050000000e-04 -2.1870000000e-03  2.0445000000e-03 -5.5479000000e-03 -7.7120000000e-04 -4.7089000000e-03 -4.6560000000e-04  2.8755000000e-03
-
-JOB 265
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6306800000e-01 -4.8938000000e-02  9.4193700000e-01  7.8440600000e-01  4.1559400000e-01 -3.5808000000e-01 -1.8290610000e+00  1.8754380000e+00 -2.1035400000e-01 -1.2958440000e+00  1.1079180000e+00 -3.4140000000e-03 -2.7166430000e+00  1.5312200000e+00 -3.1007600000e-01
-ENERGY -1.526587338565e+02
-FORCES -1.1083000000e-03  8.3590000000e-03 -1.9372000000e-03 -3.1949000000e-03  2.5680000000e-03 -5.6616000000e-03 -3.7482000000e-03 -2.7967000000e-03  3.2706000000e-03  1.1474100000e-02 -1.4592300000e-02 -7.1800000000e-05 -7.0413000000e-03  7.3863000000e-03  3.5207000000e-03  3.6186000000e-03 -9.2440000000e-04  8.7940000000e-04
-
-JOB 266
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9108300000e-01 -3.3599100000e-01 -9.6505000000e-02 -5.5799100000e-01 -6.9710500000e-01 -3.4485100000e-01 -1.3484040000e+00 -2.2017110000e+00 -1.5859030000e+00 -2.1868280000e+00 -2.4473320000e+00 -1.1948160000e+00 -1.5722580000e+00 -1.9089320000e+00 -2.4693060000e+00
-ENERGY -1.526612865775e+02
-FORCES -8.0520000000e-04 -8.4333000000e-03 -5.0110000000e-03 -2.3295000000e-03  1.6986000000e-03  4.6910000000e-04  2.3995000000e-03  7.2177000000e-03  6.1354000000e-03 -4.2739000000e-03 -9.3720000000e-04 -4.4545000000e-03  4.4491000000e-03  2.3965000000e-03 -1.5848000000e-03  5.6010000000e-04 -1.9423000000e-03  4.4457000000e-03
-
-JOB 267
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9585000000e-01  2.9902000000e-01  1.5579200000e-01  5.3295200000e-01  5.1116700000e-01  6.0901800000e-01  5.5088400000e-01 -6.6870900000e-01 -2.7424960000e+00 -1.0858400000e-01 -2.5709900000e-01 -3.3009870000e+00  3.4048000000e-01 -3.6553200000e-01 -1.8592940000e+00
-ENERGY -1.526609333347e+02
-FORCES  1.6560000000e-04  2.3731000000e-03  2.6806000000e-03  4.7784000000e-03 -8.1150000000e-04 -1.4422000000e-03 -3.8169000000e-03 -2.1790000000e-03 -2.1826000000e-03 -3.0061000000e-03  3.5124000000e-03  8.8514000000e-03  1.4193000000e-03 -9.8130000000e-04  2.6451000000e-03  4.5970000000e-04 -1.9136000000e-03 -1.0552200000e-02
-
-JOB 268
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4086100000e-01  6.7656600000e-01 -2.1860400000e-01  5.4214900000e-01 -7.9583000000e-02 -7.8484000000e-01 -1.0045080000e+00  2.5887400000e+00 -7.6848900000e-01 -1.9047630000e+00  2.9018780000e+00 -8.5633700000e-01 -4.9897900000e-01  3.3707250000e+00 -5.4674400000e-01
-ENERGY -1.526602235930e+02
-FORCES -2.4137000000e-03  9.3814000000e-03 -5.6398000000e-03  5.7210000000e-04 -8.3394000000e-03  2.1825000000e-03 -8.7150000000e-04 -4.0660000000e-04  2.5833000000e-03  1.7228000000e-03  3.6558000000e-03  1.9939000000e-03  4.4953000000e-03 -1.8174000000e-03  8.9320000000e-04 -3.5050000000e-03 -2.4737000000e-03 -2.0131000000e-03
-
-JOB 269
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2938000000e-02 -9.2436600000e-01 -2.4749500000e-01 -4.4414500000e-01  3.2675000000e-02  8.4729000000e-01 -2.1790150000e+00  1.7792520000e+00  2.2834820000e+00 -1.6058920000e+00  2.3959190000e+00  1.8279770000e+00 -1.8519100000e+00  1.7671490000e+00  3.1829750000e+00
-ENERGY -1.526572952613e+02
-FORCES -3.4377000000e-03 -3.6676000000e-03  2.6388000000e-03  2.3970000000e-04  3.4528000000e-03  1.0837000000e-03  4.6899000000e-03 -7.0360000000e-04 -4.3532000000e-03  1.7830000000e-03  5.3481000000e-03  2.2204000000e-03 -2.3072000000e-03 -3.7306000000e-03  2.7346000000e-03 -9.6780000000e-04 -6.9910000000e-04 -4.3244000000e-03
-
-JOB 270
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6679900000e-01 -8.6026200000e-01  2.0406000000e-01 -9.6812000000e-02 -1.3800000000e-04 -9.5229200000e-01  1.1565050000e+00  2.1449530000e+00  1.2409920000e+00  1.6679910000e+00  1.8268010000e+00  1.9848970000e+00  7.9818600000e-01  1.3531320000e+00  8.3991900000e-01
-ENERGY -1.526602576090e+02
-FORCES  2.6904000000e-03  1.7853000000e-03 -1.5013000000e-03 -1.2547000000e-03  4.9226000000e-03 -1.1422000000e-03  6.2960000000e-04 -1.4749000000e-03  5.0089000000e-03 -5.6735000000e-03 -1.1815600000e-02 -5.1001000000e-03 -1.7955000000e-03 -6.8550000000e-04 -2.6471000000e-03  5.4038000000e-03  7.2681000000e-03  5.3818000000e-03
-
-JOB 271
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5108300000e-01 -7.0593900000e-01  4.6303900000e-01 -4.6362700000e-01  7.4551000000e-02 -8.3410100000e-01  1.8027590000e+00  1.6531430000e+00  1.4416660000e+00  2.6506810000e+00  1.2114730000e+00  1.3948890000e+00  1.2222530000e+00  1.1158820000e+00  9.0259800000e-01
-ENERGY -1.526617506119e+02
-FORCES -1.9850000000e-03  5.0600000000e-05  1.2660000000e-04  1.6581000000e-03  2.9762000000e-03 -3.4398000000e-03  1.2832000000e-03 -1.8233000000e-03  4.1806000000e-03 -4.6388000000e-03 -7.1296000000e-03 -6.3127000000e-03 -2.7191000000e-03  8.4960000000e-04  7.5200000000e-05  6.4016000000e-03  5.0765000000e-03  5.3701000000e-03
-
-JOB 272
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0190800000e-01 -4.0740100000e-01  3.2741300000e-01 -7.0098000000e-02 -6.3657000000e-02 -9.5250500000e-01  1.2543780000e+00  2.1258750000e+00  1.5658690000e+00  2.1939490000e+00  2.0341960000e+00  1.4076450000e+00  8.5131000000e-01  1.4579620000e+00  1.0111980000e+00
-ENERGY -1.526619232433e+02
-FORCES -3.4510000000e-03 -1.1463000000e-03 -1.7202000000e-03  3.6130000000e-03  1.6164000000e-03 -2.7601000000e-03 -1.9890000000e-04 -4.9590000000e-04  4.5751000000e-03 -1.3860000000e-03 -7.7134000000e-03 -5.7536000000e-03 -2.8087000000e-03  2.9770000000e-04  2.5700000000e-05  4.2316000000e-03  7.4415000000e-03  5.6331000000e-03
-
-JOB 273
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7764000000e-02 -9.4106900000e-01 -1.7277200000e-01 -8.3740900000e-01  1.9126300000e-01  4.2237000000e-01  4.6903400000e-01 -2.6237130000e+00  7.7597000000e-02  5.7586000000e-02 -3.3206370000e+00 -4.3351800000e-01  1.4079370000e+00 -2.7442870000e+00 -6.4371000000e-02
-ENERGY -1.526594834687e+02
-FORCES  6.4170000000e-04 -1.5732800000e-02  2.0166000000e-03 -2.2259000000e-03  9.1972000000e-03 -2.0642000000e-03  2.0038000000e-03 -1.8779000000e-03 -1.4871000000e-03  3.0865000000e-03  4.4427000000e-03 -6.6830000000e-04  2.1100000000e-03  4.5970000000e-03  2.3497000000e-03 -5.6161000000e-03 -6.2610000000e-04 -1.4660000000e-04
-
-JOB 274
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3619100000e-01 -9.3920100000e-01 -1.2483900000e-01 -3.2484600000e-01  1.7427400000e-01  8.8336600000e-01  1.9016280000e+00  1.0867630000e+00  2.9200860000e+00  1.0499670000e+00  6.5073000000e-01  2.8921560000e+00  1.7591000000e+00  1.9206650000e+00  2.4722870000e+00
-ENERGY -1.526522381082e+02
-FORCES -1.3794000000e-03 -4.1308000000e-03  2.3213000000e-03  3.3220000000e-04  4.1944000000e-03  6.1810000000e-04  2.0778000000e-03  1.2250000000e-04 -1.9688000000e-03 -3.0692000000e-03  1.7784000000e-03 -3.3801000000e-03  1.8461000000e-03  1.4526000000e-03 -3.9460000000e-04  1.9250000000e-04 -3.4171000000e-03  2.8040000000e-03
-
-JOB 275
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6783500000e-01 -5.6238300000e-01 -1.0191200000e-01 -3.1710900000e-01  8.7900900000e-01 -2.0740400000e-01 -2.0707970000e+00 -1.5316670000e+00 -6.3367700000e-01 -2.9554580000e+00 -1.4850600000e+00 -2.7113700000e-01 -1.8943950000e+00 -2.4688300000e+00 -7.1637300000e-01
-ENERGY -1.526593956810e+02
-FORCES -1.4822000000e-02 -8.0593000000e-03 -5.3129000000e-03  7.1867000000e-03  4.1216000000e-03  2.7331000000e-03 -1.7330000000e-04 -2.4578000000e-03  8.3740000000e-04  5.2332000000e-03  2.2093000000e-03  2.7885000000e-03  4.6598000000e-03 -8.5420000000e-04 -2.2361000000e-03 -2.0844000000e-03  5.0405000000e-03  1.1901000000e-03
-
-JOB 276
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6057600000e-01 -7.5156100000e-01 -5.7061700000e-01  9.3544300000e-01 -4.4527000000e-02  1.9798100000e-01  2.8910880000e+00 -1.0189090000e+00  1.7003100000e-01  2.9190550000e+00 -1.8843900000e+00  5.7794300000e-01  3.8093420000e+00 -7.5942000000e-01  9.4490000000e-02
-ENERGY -1.526606232810e+02
-FORCES  7.8018000000e-03 -4.0406000000e-03 -1.9322000000e-03 -7.3800000000e-04  2.0097000000e-03  2.0039000000e-03 -8.1502000000e-03  2.5969000000e-03  3.2800000000e-04  4.7294000000e-03 -2.4332000000e-03  1.2586000000e-03  2.0240000000e-04  3.9851000000e-03 -2.3114000000e-03 -3.8454000000e-03 -2.1179000000e-03  6.5300000000e-04
-
-JOB 277
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8489400000e-01  3.9373900000e-01 -3.8097600000e-01  2.7181600000e-01 -2.7936400000e-01  8.7424500000e-01  2.6090010000e+00  1.0005530000e+00 -2.1792600000e-01  2.6917570000e+00  1.8740690000e+00  1.6463600000e-01  2.7512290000e+00  1.1344880000e+00 -1.1549770000e+00
-ENERGY -1.526588244119e+02
-FORCES  1.4673900000e-02  3.2909000000e-03  2.6486000000e-03 -7.4118000000e-03 -1.3145000000e-03 -4.5180000000e-03 -2.6077000000e-03  4.6070000000e-04 -1.3839000000e-03 -1.7930000000e-04  3.2571000000e-03  2.2960000000e-04 -4.6860000000e-04 -4.7102000000e-03 -2.3160000000e-03 -4.0065000000e-03 -9.8390000000e-04  5.3397000000e-03
-
-JOB 278
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1251700000e-01  6.1277900000e-01 -4.0688700000e-01 -8.1721000000e-02  1.6692600000e-01  9.3898300000e-01 -1.7496060000e+00  1.9493110000e+00 -6.7814000000e-01 -2.6724190000e+00  1.8605230000e+00 -4.3988700000e-01 -1.7417610000e+00  1.8912780000e+00 -1.6335460000e+00
-ENERGY -1.526583575333e+02
-FORCES -1.1332100000e-02  1.3833700000e-02  3.8300000000e-05  5.4719000000e-03 -6.4711000000e-03 -3.8779000000e-03  2.3300000000e-04 -1.3731000000e-03 -1.8079000000e-03 -4.9800000000e-04 -4.1005000000e-03  6.6200000000e-04  4.9530000000e-03  7.3950000000e-04 -1.6717000000e-03  1.1722000000e-03 -2.6286000000e-03  6.6572000000e-03
-
-JOB 279
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0213000000e-02 -7.9854200000e-01 -5.2539700000e-01 -8.1408000000e-02 -3.1071800000e-01  9.0169800000e-01 -1.5065000000e-01 -2.8852390000e+00 -4.3005900000e-01  6.6956400000e-01 -3.2967420000e+00 -1.5776000000e-01 -2.1582800000e-01 -3.0760940000e+00 -1.3657710000e+00
-ENERGY -1.526589090123e+02
-FORCES -1.9320000000e-03 -1.2514200000e-02  1.6753000000e-03  1.5151000000e-03  7.5527000000e-03 -2.6548000000e-03  1.0756000000e-03  2.8261000000e-03 -1.3446000000e-03  2.2928000000e-03 -3.6828000000e-03 -1.1168000000e-03 -4.1926000000e-03  2.7065000000e-03 -1.4091000000e-03  1.2411000000e-03  3.1117000000e-03  4.8500000000e-03
-
-JOB 280
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5378500000e-01 -4.2324800000e-01  9.0247000000e-02  1.1607100000e-01  1.0730800000e-01 -9.4405700000e-01  2.4756200000e+00 -1.6900280000e+00  2.3066500000e-01  1.6934240000e+00 -1.3309050000e+00 -1.8818200000e-01  2.3549980000e+00 -1.5059330000e+00  1.1622180000e+00
-ENERGY -1.526582952994e+02
-FORCES -4.7675000000e-03  9.9720000000e-04 -2.4241000000e-03  4.6897000000e-03  1.8562000000e-03 -5.9040000000e-04  1.3919000000e-03 -3.4581000000e-03  5.5015000000e-03 -8.6840000000e-03  6.4302000000e-03  3.7791000000e-03  5.2933000000e-03 -3.7098000000e-03 -4.2038000000e-03  2.0766000000e-03 -2.1158000000e-03 -2.0622000000e-03
-
-JOB 281
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7000800000e-01  5.0401600000e-01 -4.6183200000e-01  4.3778300000e-01 -3.1205700000e-01  7.9195800000e-01  1.0414630000e+00 -5.5437800000e-01  2.4961970000e+00  1.8211330000e+00 -1.0136000000e-02  2.6064060000e+00  1.2271900000e+00 -1.3450900000e+00  3.0026670000e+00
-ENERGY -1.526596880178e+02
-FORCES  5.7240000000e-03 -2.6016000000e-03  1.0787000000e-02 -1.1402000000e-03 -1.3922000000e-03  2.7545000000e-03 -1.7575000000e-03  3.2583000000e-03 -9.4516000000e-03  9.2870000000e-04 -5.7450000000e-04 -3.9420000000e-04 -3.7944000000e-03 -3.4649000000e-03 -1.8210000000e-03  3.9300000000e-05  4.7748000000e-03 -1.8746000000e-03
-
-JOB 282
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0907700000e-01 -3.6194000000e-02 -9.0520300000e-01  1.0587700000e-01  9.1699600000e-01  2.5325800000e-01  5.9714400000e-01  3.7223700000e-01 -2.6687930000e+00  3.2587300000e-01  1.2789700000e+00 -2.8119000000e+00  1.4742320000e+00  3.2132900000e-01 -3.0487360000e+00
-ENERGY -1.526596441513e+02
-FORCES  4.0589000000e-03  3.4689000000e-03 -1.3362500000e-02 -1.7508000000e-03 -1.1111000000e-03  9.4654000000e-03 -5.5150000000e-04 -2.0060000000e-03 -1.3169000000e-03  3.3910000000e-04  2.8933000000e-03  1.3971000000e-03  2.5731000000e-03 -4.4301000000e-03  1.4872000000e-03 -4.6689000000e-03  1.1850000000e-03  2.3298000000e-03
-
-JOB 283
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7817200000e-01  4.9449600000e-01 -2.5720500000e-01  8.7263000000e-02  1.6141800000e-01  9.3944700000e-01  1.2927950000e+00  2.8722140000e+00  3.7754700000e-01  1.3013620000e+00  2.7410220000e+00 -5.7058100000e-01  1.3259090000e+00  1.9879320000e+00  7.4248700000e-01
-ENERGY -1.526555805841e+02
-FORCES -5.5493000000e-03  2.6406000000e-03  2.7526000000e-03  3.9289000000e-03 -2.6534000000e-03  5.7040000000e-04  2.7348000000e-03  1.5820000000e-03 -4.6709000000e-03  4.4870000000e-04 -7.5395000000e-03 -4.9944000000e-03 -3.4630000000e-04  2.6796000000e-03  3.2455000000e-03 -1.2167000000e-03  3.2906000000e-03  3.0967000000e-03
-
-JOB 284
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8174200000e-01  5.0392400000e-01 -4.4443200000e-01 -7.7212100000e-01  5.6510600000e-01 -2.6777000000e-02 -2.5681400000e-01  1.8414170000e+00 -2.6389950000e+00 -3.9345100000e-01  2.1669950000e+00 -3.5286930000e+00  2.4030200000e-01  1.0314860000e+00 -2.7535330000e+00
-ENERGY -1.526569111475e+02
-FORCES -1.7416000000e-03  7.0080000000e-03 -1.7873000000e-03 -1.4981000000e-03 -4.1442000000e-03 -6.2800000000e-05  2.7849000000e-03 -3.7624000000e-03  1.8408000000e-03  6.5410000000e-04 -1.9738000000e-03 -5.6195000000e-03  5.5520000000e-04 -1.8502000000e-03  3.7073000000e-03 -7.5440000000e-04  4.7226000000e-03  1.9214000000e-03
-
-JOB 285
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0468900000e-01 -4.0797300000e-01 -5.0319300000e-01 -7.1438500000e-01 -6.3648000000e-01 -2.7895000000e-02 -2.0815170000e+00 -1.8748650000e+00 -2.6630000000e-01 -2.9247150000e+00 -1.7460940000e+00  1.6805900000e-01 -1.9300440000e+00 -2.8189290000e+00 -2.2123400000e-01
-ENERGY -1.526611059079e+02
-FORCES -7.5705000000e-03 -9.3057000000e-03 -3.0304000000e-03 -2.0277000000e-03  4.8260000000e-04  1.5845000000e-03  7.1133000000e-03  6.8232000000e-03  1.5572000000e-03 -4.2270000000e-04 -8.3750000000e-04  2.1460000000e-03  4.2712000000e-03 -1.7553000000e-03 -2.0719000000e-03 -1.3637000000e-03  4.5928000000e-03 -1.8520000000e-04
-
-JOB 286
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0254500000e-01  6.7672200000e-01  6.4595300000e-01 -8.8690300000e-01 -2.8456200000e-01  2.2059000000e-01  2.1083050000e+00 -1.6930070000e+00  3.8484400000e-01  1.9554910000e+00 -1.3181040000e+00  1.2522130000e+00  1.4306950000e+00 -1.3034880000e+00 -1.6774200000e-01
-ENERGY -1.526573367747e+02
-FORCES  2.3818000000e-03 -1.6207000000e-03  4.2376000000e-03 -1.1944000000e-03 -4.3448000000e-03 -2.0318000000e-03  4.8745000000e-03  1.4677000000e-03 -2.2480000000e-04 -1.2938900000e-02  1.0062200000e-02 -2.4690000000e-04  1.7031000000e-03 -6.6930000000e-04 -3.7760000000e-04  5.1740000000e-03 -4.8953000000e-03 -1.3566000000e-03
-
-JOB 287
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5264300000e-01  3.8672000000e-02 -8.4902000000e-02  2.4719000000e-01  8.6528900000e-01  3.2619500000e-01  1.1878930000e+00  2.2859550000e+00  9.5264700000e-01  1.8501130000e+00  2.6681710000e+00  3.7679400000e-01  1.5721350000e+00  2.3377480000e+00  1.8278090000e+00
-ENERGY -1.526614821011e+02
-FORCES  3.5872000000e-03  1.0688400000e-02  4.4967000000e-03  3.1512000000e-03  1.2947000000e-03  9.1770000000e-04 -5.4838000000e-03 -7.8969000000e-03 -4.3313000000e-03  2.3578000000e-03 -3.6736000000e-03 -3.3350000000e-04 -2.7363000000e-03 -1.3744000000e-03  3.8774000000e-03 -8.7610000000e-04  9.6190000000e-04 -4.6271000000e-03
-
-JOB 288
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5273800000e-01 -6.0165800000e-01 -3.5801100000e-01  2.0604800000e-01  4.9918000000e-02  9.3342600000e-01  7.4195100000e-01  2.3133770000e+00 -1.3501400000e+00  4.2184500000e-01  1.4848860000e+00 -9.9325500000e-01  4.9224000000e-02  2.9435840000e+00 -1.1521500000e+00
-ENERGY -1.526607946147e+02
-FORCES  4.3086000000e-03  1.0992000000e-03  2.5611000000e-03 -3.0910000000e-03  5.1296000000e-03  1.5533000000e-03 -9.9500000000e-04 -1.0731000000e-03 -4.7728000000e-03 -6.9803000000e-03 -9.7478000000e-03  7.2841000000e-03  4.7992000000e-03  6.5250000000e-03 -6.7846000000e-03  1.9584000000e-03 -1.9330000000e-03  1.5880000000e-04
-
-JOB 289
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1598000000e-02  9.3058000000e-01  2.0879400000e-01  1.3282200000e-01 -4.6061000000e-02 -9.4682000000e-01 -2.6022630000e+00 -8.6098300000e-01  1.4969600000e-01 -2.2433290000e+00 -1.2443310000e+00  9.4997200000e-01 -1.9001870000e+00 -3.0301600000e-01 -1.8496200000e-01
-ENERGY -1.526571247978e+02
-FORCES -2.5310000000e-04  2.8030000000e-04 -1.1995000000e-03 -2.5095000000e-03 -5.3789000000e-03 -1.6821000000e-03 -4.1443000000e-03  9.5380000000e-04  5.5471000000e-03  1.6658200000e-02  3.0452000000e-03  3.1202000000e-03 -3.4413000000e-03 -9.5400000000e-05 -9.2710000000e-04 -6.3100000000e-03  1.1950000000e-03 -4.8586000000e-03
-
-JOB 290
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3246500000e-01  3.4418300000e-01 -3.2368500000e-01  1.3681000000e-01 -1.1382300000e-01  9.4051000000e-01  2.4148440000e+00  1.0815210000e+00 -8.1113200000e-01  2.5133370000e+00  2.0240560000e+00 -6.7638200000e-01  2.9650200000e+00  8.8885000000e-01 -1.5703530000e+00
-ENERGY -1.526613803141e+02
-FORCES  1.2240300000e-02  3.9502000000e-03 -1.8868000000e-03 -8.5496000000e-03 -2.9746000000e-03  3.2854000000e-03 -8.1000000000e-05  9.5420000000e-04 -2.5609000000e-03 -1.9591000000e-03  4.9160000000e-04 -1.5390000000e-03  3.5110000000e-04 -4.9063000000e-03 -1.1287000000e-03 -2.0016000000e-03  2.4850000000e-03  3.8300000000e-03
-
-JOB 291
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3797900000e-01  9.1634300000e-01  2.3981000000e-01  5.2975000000e-02 -8.5550000000e-03 -9.5569500000e-01  1.3382590000e+00 -2.0920060000e+00  1.7254300000e+00  7.0118900000e-01 -2.8052560000e+00  1.6848480000e+00  9.6033700000e-01 -1.4013990000e+00  1.1809410000e+00
-ENERGY -1.526618749375e+02
-FORCES  3.2850000000e-04  4.3238000000e-03 -3.5949000000e-03 -5.3850000000e-04 -4.4054000000e-03 -1.8712000000e-03 -5.5140000000e-04  7.5500000000e-04  4.5354000000e-03 -6.3265000000e-03  3.9513000000e-03 -5.1456000000e-03  2.1496000000e-03  1.8622000000e-03 -1.4800000000e-05  4.9384000000e-03 -6.4869000000e-03  6.0910000000e-03
-
-JOB 292
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7009000000e-02  2.4891500000e-01 -9.2411200000e-01 -5.5677500000e-01 -7.7703300000e-01  4.9529000000e-02 -6.1009300000e-01 -1.8593100000e-01  3.4970980000e+00 -9.3250600000e-01 -1.0666860000e+00  3.3059120000e+00 -9.8423300000e-01  3.6166800000e-01  2.8068910000e+00
-ENERGY -1.526545663948e+02
-FORCES -8.8790000000e-04 -2.5305000000e-03 -5.0331000000e-03  6.8500000000e-05 -1.2062000000e-03  4.1430000000e-03  1.4977000000e-03  3.7875000000e-03  8.0560000000e-04 -1.4858000000e-03 -2.4550000000e-04 -4.9555000000e-03  9.7270000000e-04  3.1286000000e-03  4.1810000000e-04 -1.6530000000e-04 -2.9339000000e-03  4.6219000000e-03
-
-JOB 293
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3160700000e-01  5.7530500000e-01 -2.2362400000e-01  7.6150000000e-03 -3.7202000000e-02  9.5644600000e-01  1.6935630000e+00 -1.9940510000e+00 -1.8268450000e+00  1.7409670000e+00 -2.8798990000e+00 -2.1863720000e+00  1.5244300000e+00 -2.1225830000e+00 -8.9351500000e-01
-ENERGY -1.526556243625e+02
-FORCES  2.2584000000e-03  4.7178000000e-03  1.0056000000e-03 -3.3652000000e-03 -2.5700000000e-03  2.4193000000e-03  6.1190000000e-04 -1.2451000000e-03 -4.4727000000e-03 -2.9234000000e-03 -2.9222000000e-03  3.2694000000e-03 -4.9250000000e-04  3.4573000000e-03  1.7247000000e-03  3.9109000000e-03 -1.4377000000e-03 -3.9463000000e-03
-
-JOB 294
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8693300000e-01  6.0374900000e-01 -2.8256400000e-01  3.9946000000e-02  1.0961300000e-01  9.5006400000e-01 -1.9517700000e-01 -2.7759840000e+00 -4.2199900000e-01 -1.1271000000e-01 -1.9341190000e+00  2.5992000000e-02 -5.7427000000e-02 -2.5703050000e+00 -1.3466360000e+00
-ENERGY -1.526586639171e+02
-FORCES -3.7258000000e-03  9.6840000000e-04 -3.0300000000e-05  3.9174000000e-03 -2.3083000000e-03  1.7703000000e-03 -1.1217000000e-03 -3.3969000000e-03 -5.4354000000e-03  1.7314000000e-03  1.4320600000e-02 -2.2910000000e-03  1.7910000000e-04 -7.2726000000e-03  4.4932000000e-03 -9.8040000000e-04 -2.3111000000e-03  1.4932000000e-03
-
-JOB 295
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2859800000e-01 -5.1270800000e-01 -3.5001100000e-01  7.6797500000e-01 -5.5728700000e-01 -1.2600700000e-01 -1.3100150000e+00 -2.1351340000e+00 -1.3534600000e+00 -1.3864530000e+00 -2.1714670000e+00 -2.3069120000e+00 -2.0926050000e+00 -2.5833570000e+00 -1.0327090000e+00
-ENERGY -1.526604583564e+02
-FORCES -3.0561000000e-03 -1.1072600000e-02 -6.0351000000e-03  1.2931000000e-03  6.6849000000e-03  4.6654000000e-03 -5.7610000000e-04  2.8264000000e-03  8.6800000000e-04 -1.3776000000e-03 -8.0110000000e-04 -2.4911000000e-03 -6.2100000000e-05 -6.1250000000e-04  4.8961000000e-03  3.7787000000e-03  2.9748000000e-03 -1.9033000000e-03
-
-JOB 296
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2601400000e-01  6.7502200000e-01  4.2882000000e-01 -8.9992800000e-01  1.9480600000e-01  2.6155500000e-01 -2.5771230000e+00  9.1989300000e-01  1.0707150000e+00 -2.2342140000e+00  9.0968000000e-01  1.9643250000e+00 -3.1044930000e+00  1.2362500000e-01  1.0069200000e+00
-ENERGY -1.526597533420e+02
-FORCES -8.2093000000e-03  7.0679000000e-03  3.3703000000e-03 -1.5102000000e-03 -2.4470000000e-03 -4.9720000000e-04  8.1198000000e-03 -6.1078000000e-03 -1.3715000000e-03 -3.2315000000e-03 -1.7729000000e-03  4.6721000000e-03  1.0800000000e-05 -5.3250000000e-04 -5.9838000000e-03  4.8203000000e-03  3.7923000000e-03 -1.8990000000e-04
-
-JOB 297
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8029000000e-02 -9.2373700000e-01 -2.4931200000e-01 -2.6779800000e-01 -7.4630000000e-03  9.1894500000e-01 -2.6781000000e-01 -2.9396690000e+00 -7.4488200000e-01  4.6133400000e-01 -3.3342210000e+00 -2.6643700000e-01 -6.1173000000e-02 -3.0934840000e+00 -1.6667680000e+00
-ENERGY -1.526608051209e+02
-FORCES -3.0599000000e-03 -8.6661000000e-03  4.6290000000e-04  3.4392000000e-03  9.4626000000e-03  2.7422000000e-03  1.3682000000e-03 -1.0440000000e-04 -2.6875000000e-03  2.2478000000e-03 -5.3429000000e-03 -3.4218000000e-03 -3.5580000000e-03  3.7931000000e-03 -2.1699000000e-03 -4.3730000000e-04  8.5770000000e-04  5.0741000000e-03
-
-JOB 298
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9244400000e-01  3.0823900000e-01  4.3960600000e-01  2.6196300000e-01 -1.1620000000e-01 -9.1329300000e-01 -3.4612640000e+00 -7.0168400000e-01 -6.2685600000e-01 -3.0190980000e+00 -1.4467200000e-01  1.3815000000e-02 -4.3872750000e+00 -4.7376300000e-01 -5.4447400000e-01
-ENERGY -1.526566399622e+02
-FORCES  5.0645000000e-03 -6.1000000000e-06 -2.7437000000e-03 -3.2811000000e-03 -1.2372000000e-03 -1.9082000000e-03 -2.4620000000e-04  1.0058000000e-03  4.2000000000e-03 -4.1250000000e-04  3.2580000000e-03  3.6417000000e-03 -4.7948000000e-03 -2.1899000000e-03 -2.9244000000e-03  3.6701000000e-03 -8.3050000000e-04 -2.6540000000e-04
-
-JOB 299
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3366200000e-01  1.4705000000e-01  1.5127200000e-01  4.1651200000e-01  8.2458600000e-01  2.5061500000e-01 -8.2434100000e-01  3.5525610000e+00  1.1723710000e+00 -4.8555000000e-02  3.0964330000e+00  1.4984630000e+00 -8.2637700000e-01  3.3796620000e+00  2.3091800000e-01
-ENERGY -1.526532749416e+02
-FORCES -2.8951000000e-03  3.0539000000e-03  2.2289000000e-03  4.5049000000e-03 -6.4690000000e-04 -1.3268000000e-03 -1.4094000000e-03 -2.0391000000e-03 -9.7840000000e-04  3.2011000000e-03 -2.3940000000e-04 -2.1187000000e-03 -3.6212000000e-03  4.4110000000e-04 -2.6459000000e-03  2.1960000000e-04 -5.6940000000e-04  4.8410000000e-03
-
-JOB 300
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1871600000e-01 -1.5924900000e-01  7.8854600000e-01 -7.5936500000e-01  4.9464300000e-01  3.0809900000e-01 -9.2107700000e-01 -2.6775180000e+00  1.9597950000e+00 -9.9515600000e-01 -2.5868960000e+00  2.9098120000e+00 -4.3294000000e-02 -2.3549330000e+00  1.7556680000e+00
-ENERGY -1.526527333548e+02
-FORCES -3.3378000000e-03  1.4021000000e-03  4.6804000000e-03 -1.4163000000e-03 -1.5024000000e-03 -2.6570000000e-03  3.8635000000e-03 -9.5960000000e-04 -1.6252000000e-03  3.4020000000e-03  6.4960000000e-04  1.5410000000e-03  3.1680000000e-04  4.8960000000e-04 -4.3885000000e-03 -2.8283000000e-03 -7.9300000000e-05  2.4494000000e-03
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-JOB 301
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4341900000e-01 -5.2381000000e-01  2.9863700000e-01 -2.0500300000e-01  2.1006700000e-01 -9.1108600000e-01 -1.6971610000e+00  2.1016260000e+00  1.7815760000e+00 -1.7926590000e+00  3.0518100000e+00  1.8468600000e+00 -1.3980430000e+00  1.9515460000e+00  8.8478400000e-01
-ENERGY -1.526563739429e+02
-FORCES -2.0747000000e-03 -5.1277000000e-03 -1.5675000000e-03  3.3170000000e-03  3.3387000000e-03 -2.4776000000e-03  3.2000000000e-06  9.7110000000e-04  5.0829000000e-03  3.4565000000e-03  1.9454000000e-03 -3.5629000000e-03  6.5730000000e-04 -3.7522000000e-03 -7.5860000000e-04 -5.3594000000e-03  2.6247000000e-03  3.2837000000e-03
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-JOB 302
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7285800000e-01  3.9109500000e-01  3.7356000000e-02  6.7408000000e-02 -7.8915100000e-01  5.3752100000e-01  1.8172370000e+00 -2.4367890000e+00  1.2549890000e+00  1.4619390000e+00 -3.2523820000e+00  9.0171300000e-01  1.6136690000e+00 -2.4713060000e+00  2.1896550000e+00
-ENERGY -1.526583942272e+02
-FORCES  7.1064000000e-03 -4.2435000000e-03  2.9194000000e-03 -3.7471000000e-03  5.6230000000e-04 -5.9760000000e-04 -4.8877000000e-03  4.2747000000e-03 -1.7817000000e-03  7.9300000000e-04 -6.0100000000e-03  2.4278000000e-03  9.0890000000e-04  4.3883000000e-03  2.0577000000e-03 -1.7360000000e-04  1.0281000000e-03 -5.0257000000e-03
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-JOB 303
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8804900000e-01 -7.5820000000e-01 -5.0832300000e-01 -7.7932700000e-01  5.5116200000e-01  7.1429000000e-02 -2.1551230000e+00  1.3131700000e+00  1.0770200000e-01 -2.4798650000e+00  1.5667280000e+00 -7.5629100000e-01 -2.8791130000e+00  8.2776700000e-01  5.0324600000e-01
-ENERGY -1.526550096560e+02
-FORCES -2.3570200000e-02  1.2925500000e-02  4.8390000000e-04 -9.1340000000e-04  2.4062000000e-03  1.0933000000e-03  6.0621000000e-03 -3.6604000000e-03 -7.3870000000e-04  1.3483300000e-02 -1.0781400000e-02 -1.8299000000e-03  1.1711000000e-03 -3.1702000000e-03  5.0315000000e-03  3.7671000000e-03  2.2802000000e-03 -4.0402000000e-03
-
-JOB 304
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2623000000e-01 -6.9717600000e-01  3.9148400000e-01 -2.1853700000e-01 -2.8606000000e-02 -9.3148000000e-01 -2.3937860000e+00 -1.3908490000e+00 -3.5856000000e-02 -2.6126760000e+00 -2.2408800000e+00 -4.1764800000e-01 -2.6019650000e+00 -1.4845200000e+00  8.9372500000e-01
-ENERGY -1.526563827265e+02
-FORCES -1.3183600000e-02 -7.2060000000e-03 -4.6895000000e-03  4.4897000000e-03  1.5235000000e-03  5.3778000000e-03  3.3301000000e-03  1.3555000000e-03  1.0791000000e-03 -6.2450000000e-04 -6.1750000000e-04  1.3476000000e-03  1.7050000000e-03  4.6980000000e-03  1.7914000000e-03  4.2832000000e-03  2.4650000000e-04 -4.9065000000e-03
-
-JOB 305
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7937900000e-01  6.5680900000e-01  3.8620300000e-01 -8.0257100000e-01  4.7928500000e-01 -2.0590600000e-01 -1.2721290000e+00  1.5746910000e+00 -3.3647870000e+00 -1.4068140000e+00  1.8280200000e+00 -4.2779770000e+00 -2.1503140000e+00  1.3792970000e+00 -3.0379160000e+00
-ENERGY -1.526538495865e+02
-FORCES -4.2010000000e-04  5.4946000000e-03 -9.4460000000e-04 -2.2370000000e-03 -2.8705000000e-03 -8.9710000000e-04  2.1295000000e-03 -2.4392000000e-03  1.8886000000e-03 -3.8759000000e-03 -2.2580000000e-04 -3.6505000000e-03  5.1530000000e-04 -9.9640000000e-04  3.8505000000e-03  3.8882000000e-03  1.0374000000e-03 -2.4680000000e-04
-
-JOB 306
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8246900000e-01  7.8857000000e-02 -9.3633300000e-01 -8.0347800000e-01 -3.6449000000e-01  3.7121800000e-01 -8.0173000000e-01  1.3300100000e-01 -2.6900780000e+00 -1.2387340000e+00 -6.7488900000e-01 -2.9594730000e+00 -1.3258890000e+00  8.3153200000e-01 -3.0819240000e+00
-ENERGY -1.526607529437e+02
-FORCES -5.7977000000e-03  4.6080000000e-04 -1.1314300000e-02  3.1623000000e-03 -1.5252000000e-03  9.1596000000e-03  2.0390000000e-03  6.3440000000e-04 -1.2832000000e-03 -2.4729000000e-03  3.1190000000e-04  3.5590000000e-04  1.3036000000e-03  4.6421000000e-03  1.8399000000e-03  1.7656000000e-03 -4.5241000000e-03  1.2422000000e-03
-
-JOB 307
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7848000000e-02  1.6385700000e-01  9.4266000000e-01 -7.7002000000e-01  4.8024100000e-01 -3.0441800000e-01 -4.7452200000e-01 -2.8415360000e+00 -5.5850500000e-01 -4.6183900000e-01 -2.1141910000e+00  6.3620000000e-02 -3.6367000000e-01 -2.4273150000e+00 -1.4142880000e+00
-ENERGY -1.526582041934e+02
-FORCES -1.9915000000e-03  3.8285000000e-03  1.2291000000e-03 -1.2035000000e-03 -2.8853000000e-03 -4.8622000000e-03  3.7946000000e-03 -3.2483000000e-03  1.3970000000e-03  3.4122000000e-03  1.2170800000e-02 -7.3270000000e-04 -2.4604000000e-03 -6.7586000000e-03  2.1887000000e-03 -1.5514000000e-03 -3.1072000000e-03  7.8000000000e-04
-
-JOB 308
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3359000000e-02  8.7585600000e-01  3.7704100000e-01  7.9523000000e-02  1.3656000000e-01 -9.4406500000e-01  2.4785680000e+00  7.4120000000e-01  2.0001120000e+00  2.8302770000e+00  1.6296600000e+00  1.9438040000e+00  3.1250560000e+00  2.5942200000e-01  2.5160350000e+00
-ENERGY -1.526535086126e+02
-FORCES  3.1912000000e-03  4.4278000000e-03 -3.6300000000e-05 -2.6274000000e-03 -2.3251000000e-03 -3.1654000000e-03 -2.3580000000e-04 -5.5320000000e-04  3.5953000000e-03  4.7556000000e-03 -4.1470000000e-04  2.2795000000e-03 -2.6512000000e-03 -3.5738000000e-03 -5.1720000000e-04 -2.4324000000e-03  2.4391000000e-03 -2.1561000000e-03
-
-JOB 309
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9490100000e-01  9.1513700000e-01  2.0191400000e-01  4.2124000000e-02 -4.9279000000e-02 -9.5500200000e-01  5.1153700000e-01  2.7565260000e+00  4.7971500000e-01 -1.7186500000e-01  3.2832980000e+00  6.5341000000e-02  5.1014300000e-01  3.0382460000e+00  1.3945180000e+00
-ENERGY -1.526614811071e+02
-FORCES  3.5392000000e-03  1.1596300000e-02 -4.3880000000e-04 -2.9014000000e-03 -1.0242900000e-02 -1.4725000000e-03 -6.2230000000e-04  8.0540000000e-04  2.6276000000e-03 -2.8240000000e-03  1.9703000000e-03  2.0350000000e-03  3.4964000000e-03 -2.9919000000e-03  2.2562000000e-03 -6.8790000000e-04 -1.1371000000e-03 -5.0075000000e-03
-
-JOB 310
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5900700000e-01 -7.7321900000e-01 -3.2814200000e-01 -4.5730300000e-01  7.3890700000e-01 -4.0139900000e-01 -1.6068720000e+00 -1.9824230000e+00 -1.0118140000e+00 -2.5544500000e+00 -1.8627830000e+00 -9.4845700000e-01 -1.4810560000e+00 -2.9302140000e+00 -9.6605400000e-01
-ENERGY -1.526603072582e+02
-FORCES -9.2373000000e-03 -8.6915000000e-03 -6.9249000000e-03  5.8972000000e-03  5.7707000000e-03  3.4300000000e-03  5.3640000000e-04 -1.9212000000e-03  1.3702000000e-03  2.7000000000e-05  1.6190000000e-03  3.0766000000e-03  4.5339000000e-03 -1.5206000000e-03 -8.9000000000e-04 -1.7572000000e-03  4.7436000000e-03 -6.1900000000e-05
-
-JOB 311
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4934100000e-01 -9.1372600000e-01 -2.4297000000e-01 -1.9381500000e-01  3.3989000000e-02  9.3675600000e-01 -3.5395600000e-01 -8.7001500000e-01  2.8702400000e+00 -1.1603780000e+00 -5.1925100000e-01  3.2482350000e+00 -4.9496400000e-01 -1.8162820000e+00  2.8397870000e+00
-ENERGY -1.526593552012e+02
-FORCES -8.3030000000e-04 -5.3740000000e-03  8.8227000000e-03  3.2830000000e-04  2.4220000000e-03 -1.0060000000e-04 -8.4270000000e-04  3.9874000000e-03 -8.1084000000e-03 -2.8583000000e-03 -4.2601000000e-03  2.9922000000e-03  4.0437000000e-03 -1.4900000000e-03 -3.3103000000e-03  1.5930000000e-04  4.7147000000e-03 -2.9560000000e-04
-
-JOB 312
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4914800000e-01  3.9214600000e-01 -2.0347400000e-01  1.0814300000e-01 -3.6406300000e-01  8.7863300000e-01 -2.3255570000e+00  1.4984680000e+00 -1.0256430000e+00 -1.4933190000e+00  1.3830410000e+00 -5.6707000000e-01 -2.1464390000e+00  1.2164330000e+00 -1.9226400000e+00
-ENERGY -1.526592978354e+02
-FORCES  2.8292000000e-03 -2.5705000000e-03  3.5762000000e-03 -5.3447000000e-03 -8.6400000000e-04  6.8790000000e-04  4.2700000000e-04  1.9498000000e-03 -4.3960000000e-03  8.2068000000e-03 -6.7346000000e-03  9.0420000000e-04 -5.1959000000e-03  6.4965000000e-03 -2.9072000000e-03 -9.2250000000e-04  1.7228000000e-03  2.1350000000e-03
-
-JOB 313
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6847500000e-01 -5.7068200000e-01  2.8600000000e-04 -2.4585800000e-01  7.3331600000e-01 -5.6394500000e-01 -2.3703540000e+00 -1.6855800000e+00 -7.3731400000e-01 -3.2054620000e+00 -1.7533720000e+00 -2.7446400000e-01 -1.9599540000e+00 -2.5421510000e+00 -6.1860600000e-01
-ENERGY -1.526608395985e+02
-FORCES -9.0773000000e-03 -1.9242000000e-03 -4.4988000000e-03  8.3379000000e-03  2.5577000000e-03  3.5085000000e-03  1.4573000000e-03 -1.4607000000e-03  2.0819000000e-03 -3.4158000000e-03 -4.7401000000e-03  4.0620000000e-04  4.3694000000e-03  4.9400000000e-05 -2.2244000000e-03 -1.6716000000e-03  5.5179000000e-03  7.2660000000e-04
-
-JOB 314
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8921000000e-01  4.9359900000e-01  2.2302500000e-01  7.0044200000e-01  4.3476200000e-01  4.8641000000e-01  8.9055000000e-02 -2.5102130000e+00  8.0738900000e-01 -2.3707600000e-01 -1.6131310000e+00  7.3587600000e-01  8.5760400000e-01 -2.5323300000e+00  2.3723600000e-01
-ENERGY -1.526564746927e+02
-FORCES  2.1517000000e-03 -4.5040000000e-03  3.5034000000e-03  4.4484000000e-03 -5.1250000000e-03  7.4550000000e-04 -4.1922000000e-03 -3.1468000000e-03 -2.4939000000e-03  1.2218000000e-03  1.8671200000e-02 -9.7201000000e-03 -3.3210000000e-03 -4.5661000000e-03  5.6703000000e-03 -3.0870000000e-04 -1.3293000000e-03  2.2947000000e-03
-
-JOB 315
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2160600000e-01  3.3057400000e-01 -3.6320200000e-01 -3.2338000000e-02  2.4170400000e-01  9.2561600000e-01  1.8193600000e-01  3.4227900000e-01  2.5882300000e+00 -7.2826900000e-01  5.6551600000e-01  2.7829700000e+00  6.9389000000e-01  1.0315930000e+00  3.0112920000e+00
-ENERGY -1.526563155363e+02
-FORCES  2.4210000000e-03  2.7105000000e-03  1.7703200000e-02  1.8944000000e-03 -3.4950000000e-04  4.3851000000e-03 -6.5420000000e-03  6.5500000000e-05 -8.4999000000e-03  7.2580000000e-04  1.5309000000e-03 -6.2742000000e-03  5.5178000000e-03 -3.1920000000e-04 -5.5840000000e-03 -4.0171000000e-03 -3.6382000000e-03 -1.7301000000e-03
-
-JOB 316
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8908100000e-01  7.4257600000e-01 -5.7363900000e-01 -3.3203800000e-01 -7.6137500000e-01 -4.7570100000e-01 -9.9815000000e-02  6.9466600000e-01  2.5370820000e+00 -1.9837100000e-01  3.1985700000e-01  1.6618470000e+00  3.1140000000e-02  1.6304380000e+00  2.3840640000e+00
-ENERGY -1.526575924063e+02
-FORCES -1.8513000000e-03  2.9356000000e-03  6.6508000000e-03  7.3640000000e-04 -4.1638000000e-03  3.1418000000e-03  1.5062000000e-03  4.8898000000e-03  1.9539000000e-03  1.5449000000e-03 -3.5255000000e-03 -1.8573300000e-02 -1.3204000000e-03  2.0254000000e-03  7.4343000000e-03 -6.1580000000e-04 -2.1615000000e-03 -6.0750000000e-04
-
-JOB 317
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2679900000e-01 -2.6869000000e-02 -8.9928400000e-01 -8.7035400000e-01 -3.9536400000e-01 -4.9029000000e-02  2.1278560000e+00 -2.0750920000e+00 -2.5743300000e-01  3.0103630000e+00 -1.8461030000e+00 -5.4894400000e-01  1.5523900000e+00 -1.4946920000e+00 -7.5563700000e-01
-ENERGY -1.526497621478e+02
-FORCES -2.9430000000e-03 -1.8340000000e-03 -1.9224000000e-03  3.0250000000e-03 -5.1629000000e-03  4.6633000000e-03  4.5281000000e-03  1.9463000000e-03  2.1000000000e-05 -1.5922000000e-03  5.6879000000e-03  1.7940000000e-04 -4.2437000000e-03 -2.0560000000e-04  1.0638000000e-03  1.2258000000e-03 -4.3160000000e-04 -4.0050000000e-03
-
-JOB 318
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6810000000e-02  9.4919100000e-01 -1.1435700000e-01 -8.6464600000e-01 -2.4494600000e-01  3.2957800000e-01  3.4679830000e+00  2.8344960000e+00  1.2487030000e+00  4.3176760000e+00  2.5107540000e+00  1.5477760000e+00  3.4923620000e+00  2.7294160000e+00  2.9760100000e-01
-ENERGY -1.526543981022e+02
-FORCES -3.5783000000e-03  3.1998000000e-03  1.6444000000e-03  4.6500000000e-05 -4.0341000000e-03 -3.0020000000e-04  3.4147000000e-03  8.8250000000e-04 -1.4486000000e-03  3.8344000000e-03 -2.5165000000e-03 -2.4693000000e-03 -3.2899000000e-03  1.6133000000e-03 -1.2143000000e-03 -4.2740000000e-04  8.5500000000e-04  3.7881000000e-03
-
-JOB 319
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2837300000e-01 -1.0423200000e-01  6.1224300000e-01  3.3832800000e-01 -3.2734200000e-01 -8.3343500000e-01  8.3925600000e-01  2.8411610000e+00  3.7955900000e-01  5.7486400000e-01  2.0823490000e+00 -1.4057000000e-01  5.3763700000e-01  2.6415170000e+00  1.2657870000e+00
-ENERGY -1.526585607068e+02
-FORCES  4.0219000000e-03 -4.4065000000e-03  4.0390000000e-04 -4.0372000000e-03  2.4397000000e-03 -3.2144000000e-03 -1.2157000000e-03  3.5130000000e-03  4.1507000000e-03 -6.6246000000e-03 -8.5683000000e-03  5.2460000000e-04  5.3099000000e-03  6.1681000000e-03  2.4200000000e-05  2.5458000000e-03  8.5380000000e-04 -1.8889000000e-03
-
-JOB 320
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4885700000e-01 -9.4220500000e-01  7.9519000000e-02 -7.9380100000e-01  1.6143400000e-01  5.0995200000e-01 -2.5827380000e+00  3.2167000000e-02  1.2298100000e+00 -2.5576620000e+00 -1.7345000000e-02  2.1854000000e+00 -2.8686880000e+00 -8.3800200000e-01  9.5183600000e-01
-ENERGY -1.526599295369e+02
-FORCES -1.0489100000e-02 -1.3811000000e-03  5.6405000000e-03 -1.1612000000e-03  2.4532000000e-03 -1.5810000000e-04  9.8454000000e-03 -1.0070000000e-03 -3.4302000000e-03 -2.1141000000e-03 -3.7261000000e-03  1.3766000000e-03  9.7630000000e-04 -4.9000000000e-04 -5.5235000000e-03  2.9427000000e-03  4.1511000000e-03  2.0947000000e-03
-
-JOB 321
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6440900000e-01 -4.0619000000e-01 -6.3550000000e-02 -5.9372800000e-01 -6.3538700000e-01 -4.0000400000e-01  2.7981760000e+00 -8.2933600000e-01 -5.8430900000e-01  3.1700800000e+00 -1.2326700000e-01 -5.5740000000e-02  3.0707220000e+00 -1.6316080000e+00 -1.3898900000e-01
-ENERGY -1.526606112978e+02
-FORCES  6.8494000000e-03 -5.2331000000e-03 -4.5520000000e-03 -8.6530000000e-03  3.4700000000e-03  4.9108000000e-03  2.0169000000e-03  1.5994000000e-03  1.5293000000e-03  6.0367000000e-03  2.9500000000e-04  2.0096000000e-03 -3.5791000000e-03 -4.4808000000e-03 -2.0644000000e-03 -2.6710000000e-03  4.3495000000e-03 -1.8332000000e-03
-
-JOB 322
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5527100000e-01 -6.7001300000e-01  1.9476800000e-01 -5.1095200000e-01  7.8353700000e-01 -2.0305100000e-01  7.5360300000e-01  2.2545900000e-01  3.1462170000e+00 -1.3592400000e-01 -6.3068000000e-02  3.3504850000e+00  7.4464500000e-01  3.8056300000e-01  2.2017090000e+00
-ENERGY -1.526587627820e+02
-FORCES -5.6878000000e-03 -9.7060000000e-04 -4.0552000000e-03  3.0429000000e-03  3.9863000000e-03  2.9120000000e-04  2.5977000000e-03 -3.8726000000e-03  2.3012000000e-03 -3.1889000000e-03 -8.9640000000e-04 -6.6616000000e-03  2.6801000000e-03  7.6870000000e-04 -6.4960000000e-04  5.5600000000e-04  9.8460000000e-04  8.7740000000e-03
-
-JOB 323
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1881400000e-01  2.2700200000e-01  1.4312000000e-01  1.6617400000e-01  2.3604700000e-01 -9.1263400000e-01  1.2398750000e+00  7.1298200000e-01 -2.4010810000e+00  1.3050750000e+00  1.4993250000e+00 -2.9429710000e+00  1.3437060000e+00 -1.2266000000e-02 -3.0170890000e+00
-ENERGY -1.526603669064e+02
-FORCES  2.7112000000e-03  4.0526000000e-03 -8.9036000000e-03  3.1371000000e-03 -5.5600000000e-05 -1.6742000000e-03 -5.5586000000e-03 -4.5610000000e-03  7.4963000000e-03  1.0038000000e-03  8.5520000000e-04 -1.4387000000e-03  2.4000000000e-06 -4.4812000000e-03  1.5471000000e-03 -1.2960000000e-03  4.1900000000e-03  2.9731000000e-03
-
-JOB 324
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1282000000e-01  5.7919600000e-01 -4.5300700000e-01 -1.8548000000e-02  2.9566200000e-01  9.1020400000e-01 -2.3223680000e+00  1.6240960000e+00 -3.7124700000e-01 -2.7891530000e+00  8.1800500000e-01 -1.5088100000e-01 -2.4106090000e+00  1.7004450000e+00 -1.3213080000e+00
-ENERGY -1.526586418170e+02
-FORCES -8.3133000000e-03  1.0495100000e-02  1.8654000000e-03  4.2858000000e-03 -6.7617000000e-03 -2.8367000000e-03  5.1520000000e-04 -2.5244000000e-03 -1.9977000000e-03 -3.7881000000e-03 -3.1742000000e-03 -7.9660000000e-04  4.1393000000e-03  4.1785000000e-03 -1.5446000000e-03  3.1610000000e-03 -2.2134000000e-03  5.3102000000e-03
-
-JOB 325
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4887600000e-01  4.0557800000e-01  1.7649000000e-01  6.2484600000e-01  7.2401700000e-01  3.9978000000e-02  1.6020110000e+00  2.3729410000e+00  1.1413910000e+00  2.2230180000e+00  2.8575100000e+00  5.9753800000e-01  2.1083680000e+00  2.1141120000e+00  1.9113530000e+00
-ENERGY -1.526605610263e+02
-FORCES  1.4186000000e-03  8.4113000000e-03  3.4056000000e-03  2.1036000000e-03 -2.0399000000e-03 -8.6160000000e-04 -3.5443000000e-03 -6.8702000000e-03 -4.5954000000e-03  4.9521000000e-03  1.6156000000e-03  3.7465000000e-03 -3.1063000000e-03 -3.1900000000e-03  2.1991000000e-03 -1.8238000000e-03  2.0732000000e-03 -3.8943000000e-03
-
-JOB 326
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9681900000e-01 -2.7557000000e-02  3.3344900000e-01  2.3592000000e-01 -9.1847400000e-01 -1.3030100000e-01 -2.6170770000e+00 -1.6982000000e-01  9.6466500000e-01 -3.2421070000e+00  4.1106700000e-01  5.3091500000e-01 -2.6503150000e+00  8.7040000000e-02  1.8861580000e+00
-ENERGY -1.526618850399e+02
-FORCES -1.2292400000e-02 -3.7430000000e-03  3.8289000000e-03  1.0157500000e-02  1.7896000000e-03 -2.8958000000e-03 -8.8580000000e-04  2.4785000000e-03  6.5000000000e-04 -6.2030000000e-04  3.0020000000e-03  7.0830000000e-04  3.4084000000e-03 -2.6866000000e-03  3.0709000000e-03  2.3260000000e-04 -8.4050000000e-04 -5.3623000000e-03
-
-JOB 327
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4611600000e-01  7.3086600000e-01  4.2784100000e-01 -9.2098300000e-01  2.5998500000e-01 -2.0720000000e-02  1.5988710000e+00  2.0593440000e+00  9.2996900000e-01  2.2193240000e+00  2.3522890000e+00  2.6254600000e-01  2.0766150000e+00  2.1433710000e+00  1.7551550000e+00
-ENERGY -1.526617252565e+02
-FORCES  4.9684000000e-03  9.7142000000e-03  4.7788000000e-03 -6.4548000000e-03 -7.0697000000e-03 -3.7771000000e-03  3.1375000000e-03  1.6780000000e-04  5.1550000000e-04  2.0234000000e-03 -2.4502000000e-03 -1.4163000000e-03 -2.2764000000e-03 -7.4800000000e-04  4.4729000000e-03 -1.3982000000e-03  3.8600000000e-04 -4.5739000000e-03
-
-JOB 328
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1846100000e-01  3.7128500000e-01 -3.2939500000e-01  2.3861100000e-01 -4.0490500000e-01  8.3387500000e-01  2.9034990000e+00  9.1043500000e-01 -2.4599000000e-01  2.6069490000e+00  1.7417710000e+00  1.2437600000e-01  2.9386420000e+00  1.0670510000e+00 -1.1896370000e+00
-ENERGY -1.526588075439e+02
-FORCES  1.0268400000e-02 -8.4120000000e-04  2.1620000000e-03 -8.1187000000e-03  1.4787000000e-03 -1.3540000000e-03 -2.2733000000e-03  1.4729000000e-03 -2.0817000000e-03  3.3683000000e-03  4.8958000000e-03 -1.6245000000e-03 -6.0260000000e-04 -5.7792000000e-03 -2.4847000000e-03 -2.6421000000e-03 -1.2270000000e-03  5.3829000000e-03
-
-JOB 329
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5183500000e-01  9.1110900000e-01  2.5111600000e-01 -9.5010600000e-01 -1.0661400000e-01  4.6515000000e-02  3.2893130000e+00 -8.6630000000e-02 -5.6449200000e-01  3.3559170000e+00 -1.0115060000e+00 -8.0197800000e-01  3.0419720000e+00 -9.3500000000e-02  3.6017400000e-01
-ENERGY -1.526546513703e+02
-FORCES -3.1195000000e-03  4.3438000000e-03 -8.5200000000e-05 -9.0510000000e-04 -4.2169000000e-03  3.0850000000e-04  4.2342000000e-03  2.8830000000e-04 -4.5390000000e-04 -3.8258000000e-03 -5.1478000000e-03  2.4782000000e-03  1.1958000000e-03  3.4113000000e-03  7.8830000000e-04  2.4203000000e-03  1.3214000000e-03 -3.0359000000e-03
-
-JOB 330
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6291900000e-01  8.4527100000e-01  2.6465000000e-01  7.1314900000e-01 -6.2245600000e-01  1.4212300000e-01  2.1938780000e+00 -1.7706550000e+00  5.8345900000e-01  2.6414160000e+00 -1.9581800000e+00  1.4085500000e+00  1.6639810000e+00 -2.5498760000e+00  4.1536800000e-01
-ENERGY -1.526602730473e+02
-FORCES  1.0941500000e-02 -2.7277000000e-03  3.3992000000e-03 -1.4756000000e-03 -2.0537000000e-03 -5.1930000000e-04 -8.9485000000e-03  1.1753000000e-03 -3.5992000000e-03 -2.5800000000e-05 -2.5474000000e-03  3.9600000000e-03 -1.7960000000e-03 -1.8840000000e-04 -4.3037000000e-03  1.3044000000e-03  6.3419000000e-03  1.0630000000e-03
-
-JOB 331
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6149600000e-01 -8.2160000000e-01 -1.6800900000e-01 -5.0659500000e-01  6.6072500000e-01 -4.7226600000e-01 -5.5130700000e-01 -2.0433330000e+00  2.5909120000e+00 -4.2440800000e-01 -2.5335900000e+00  1.7786450000e+00 -3.4472400000e-01 -2.6700730000e+00  3.2842740000e+00
-ENERGY -1.526517335073e+02
-FORCES -5.0279000000e-03 -1.8120000000e-04 -1.2287000000e-03  2.6832000000e-03  1.5959000000e-03  4.5100000000e-04  2.3789000000e-03 -2.5859000000e-03  1.9090000000e-03  2.6182000000e-03 -4.3086000000e-03 -1.6950000000e-04 -1.7286000000e-03  2.4763000000e-03  1.8580000000e-03 -9.2390000000e-04  3.0036000000e-03 -2.8198000000e-03
-
-JOB 332
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2644500000e-01 -6.2169100000e-01 -4.4829000000e-02  7.4982800000e-01 -4.8146700000e-01 -3.4954100000e-01  6.2959900000e-01  1.1636300000e-01  2.7262150000e+00  6.2663400000e-01  4.8899000000e-02  1.7714000000e+00  2.1001100000e-01 -6.9038400000e-01  3.0251070000e+00
-ENERGY -1.526581287549e+02
-FORCES -2.6432000000e-03 -3.1031000000e-03 -6.1850000000e-04  4.7456000000e-03  2.5029000000e-03  8.7540000000e-04 -3.7977000000e-03  2.4418000000e-03  5.6447000000e-03 -4.9005000000e-03 -1.6663000000e-03 -1.2654000000e-02  5.6944000000e-03 -2.3087000000e-03  8.4551000000e-03  9.0130000000e-04  2.1335000000e-03 -1.7028000000e-03
-
-JOB 333
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9591800000e-01 -2.7743100000e-01  5.9578600000e-01  2.7602300000e-01 -3.2222800000e-01 -8.5802800000e-01 -4.8910300000e-01 -2.6767800000e+00  1.7964440000e+00 -1.2462880000e+00 -2.9127350000e+00  2.3323800000e+00 -8.1974800000e-01 -2.6824430000e+00  8.9818200000e-01
-ENERGY -1.526563874473e+02
-FORCES  4.8807000000e-03 -1.9068000000e-03  1.4141000000e-03 -2.1801000000e-03  2.5531000000e-03 -4.4161000000e-03 -1.9870000000e-03  1.4930000000e-04  3.6973000000e-03 -5.7489000000e-03  8.3580000000e-04 -2.0759000000e-03  2.9166000000e-03  6.7930000000e-04 -2.2343000000e-03  2.1187000000e-03 -2.3108000000e-03  3.6150000000e-03
-
-JOB 334
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7710700000e-01 -3.3697300000e-01 -1.8265600000e-01 -5.8167600000e-01 -5.4517100000e-01 -5.2978600000e-01  2.7408150000e+00 -5.0797900000e-01 -3.2871400000e-01  3.6414490000e+00 -7.5895400000e-01 -1.2352700000e-01  2.6756850000e+00  4.0434200000e-01 -4.6474000000e-02
-ENERGY -1.526594571848e+02
-FORCES  6.2094000000e-03 -6.2362000000e-03 -3.1023000000e-03 -4.2739000000e-03  8.0537000000e-03  1.2809000000e-03  2.0184000000e-03  1.2758000000e-03  1.6853000000e-03  1.6806000000e-03  9.4100000000e-04  2.6508000000e-03 -3.2005000000e-03  2.9257000000e-03 -1.0492000000e-03 -2.4339000000e-03 -6.9601000000e-03 -1.4655000000e-03
-
-JOB 335
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9932700000e-01 -3.0211900000e-01  1.2715000000e-01 -2.0578800000e-01 -2.3321500000e-01 -9.0525900000e-01  2.4045040000e+00 -1.2326830000e+00  5.7621500000e-01  2.7447910000e+00 -1.1026330000e+00  1.4613830000e+00  3.1035510000e+00 -9.1987900000e-01  2.0040000000e-03
-ENERGY -1.526602094241e+02
-FORCES  1.1208900000e-02 -7.9383000000e-03  1.2965000000e-03 -7.5492000000e-03  6.6862000000e-03 -3.7219000000e-03  1.8428000000e-03  6.0200000000e-04  2.3920000000e-03  5.7530000000e-04  1.6334000000e-03  2.5486000000e-03 -8.9290000000e-04 -3.6770000000e-04 -5.3087000000e-03 -5.1849000000e-03 -6.1560000000e-04  2.7936000000e-03
-
-JOB 336
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8791500000e-01  6.0820000000e-03 -9.3855400000e-01  6.2913800000e-01 -7.1230700000e-01  1.1417500000e-01  3.6490900000e-01 -2.6185350000e+00  7.7571500000e-01 -9.8915000000e-02 -3.1728280000e+00  1.4813400000e-01  1.2520400000e+00 -2.9770070000e+00  8.0271100000e-01
-ENERGY -1.526550627766e+02
-FORCES  1.8693000000e-03 -1.2185800000e-02  1.2607000000e-03  2.9950000000e-04 -1.1375000000e-03  3.2014000000e-03  2.5511000000e-03  7.4918000000e-03 -3.0685000000e-03 -3.6893000000e-03 -1.7337000000e-03 -2.4024000000e-03  3.1962000000e-03  2.5728000000e-03  2.6834000000e-03 -4.2268000000e-03  4.9924000000e-03 -1.6746000000e-03
-
-JOB 337
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6123300000e-01  1.9851600000e-01 -3.6756200000e-01  1.3969000000e-01 -9.9590000000e-03  9.4690000000e-01 -1.3875430000e+00 -2.3571560000e+00 -7.4543000000e-01 -2.1891730000e+00 -1.8435060000e+00 -6.4651500000e-01 -7.0574100000e-01 -1.8173460000e+00 -3.4544900000e-01
-ENERGY -1.526593877114e+02
-FORCES  2.8241000000e-03  1.7772000000e-03 -1.4420000000e-04 -4.2809000000e-03 -1.4669000000e-03  2.7075000000e-03 -1.1773000000e-03 -2.0105000000e-03 -5.6250000000e-03  3.5821000000e-03  1.2977600000e-02  2.5179000000e-03  1.1167000000e-03 -2.7004000000e-03 -7.5100000000e-05 -2.0646000000e-03 -8.5770000000e-03  6.1890000000e-04
-
-JOB 338
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4713000000e-01 -3.1090900000e-01 -8.9326400000e-01  7.9014000000e-02  9.5197000000e-01 -6.1164000000e-02  5.5349200000e-01  2.6667870000e+00  5.5515000000e-01  1.5003460000e+00  2.8038100000e+00  5.2474300000e-01  3.3452700000e-01  2.7099560000e+00  1.4859680000e+00
-ENERGY -1.526612169883e+02
-FORCES  1.8046000000e-03  1.1492100000e-02 -1.7300000000e-04  4.6740000000e-04  2.5997000000e-03  2.6549000000e-03 -2.2251000000e-03 -1.0622100000e-02 -2.4561000000e-03  2.8824000000e-03 -3.0962000000e-03  4.5391000000e-03 -4.7027000000e-03 -5.6450000000e-04  2.6080000000e-04  1.7735000000e-03  1.9110000000e-04 -4.8257000000e-03
-
-JOB 339
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5620900000e-01  6.7570800000e-01  3.8766200000e-01 -8.6961600000e-01  3.9811600000e-01 -3.8789000000e-02  1.3251900000e+00  2.1859620000e+00  1.0937850000e+00  2.0303620000e+00  2.6196100000e+00  6.1325000000e-01  1.6510240000e+00  2.1211420000e+00  1.9914840000e+00
-ENERGY -1.526615474411e+02
-FORCES  3.9468000000e-03  1.2205500000e-02  5.1433000000e-03 -3.6216000000e-03 -8.3637000000e-03 -3.3757000000e-03  2.1175000000e-03 -1.2919000000e-03  5.1700000000e-05  1.8879000000e-03 -9.1200000000e-04 -1.3150000000e-04 -3.2349000000e-03 -2.1967000000e-03  3.4184000000e-03 -1.0957000000e-03  5.5880000000e-04 -5.1063000000e-03
-
-JOB 340
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9642400000e-01 -2.1592900000e-01  6.2016100000e-01  3.2597500000e-01  7.6810000000e-01 -4.6903500000e-01 -2.0547930000e+00 -1.7702220000e+00  1.2599600000e-01 -2.8360740000e+00 -1.4009520000e+00  5.3766600000e-01 -1.4058070000e+00 -1.0679870000e+00  1.6974500000e-01
-ENERGY -1.526603328885e+02
-FORCES -2.1041000000e-03 -1.8737000000e-03 -1.3220000000e-03 -3.5509000000e-03  1.9581000000e-03 -3.3781000000e-03  4.5170000000e-04 -3.4248000000e-03  3.4346000000e-03  7.7486000000e-03  9.9378000000e-03 -7.4580000000e-04  2.9661000000e-03 -1.8800000000e-05 -1.2242000000e-03 -5.5114000000e-03 -6.5786000000e-03  3.2355000000e-03
-
-JOB 341
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0896800000e-01  5.7702300000e-01 -4.6090600000e-01  7.0036600000e-01  5.7990500000e-01  2.9904900000e-01 -1.8057740000e+00  1.6938500000e+00 -1.6986750000e+00 -1.2728950000e+00  2.4862610000e+00 -1.7646900000e+00 -2.1081120000e+00  1.5328090000e+00 -2.5924810000e+00
-ENERGY -1.526601407360e+02
-FORCES -4.2056000000e-03  5.7222000000e-03 -3.9069000000e-03  7.5863000000e-03 -3.3936000000e-03  6.4119000000e-03 -2.6187000000e-03 -1.0809000000e-03 -1.6467000000e-03 -6.0040000000e-04  1.4168000000e-03 -5.9734000000e-03 -1.4353000000e-03 -4.9596000000e-03  1.2272000000e-03  1.2737000000e-03  2.2952000000e-03  3.8880000000e-03
-
-JOB 342
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5792900000e-01  6.7379500000e-01 -5.0252700000e-01  9.2846000000e-01  1.7972900000e-01 -1.4795700000e-01  1.4121760000e+00 -8.5977000000e-02 -3.7195420000e+00  1.7595210000e+00 -8.9915200000e-01 -3.3530310000e+00  1.4962600000e+00  5.5187200000e-01 -3.0108030000e+00
-ENERGY -1.526531669743e+02
-FORCES  7.6110000000e-04  3.5456000000e-03 -1.9925000000e-03  2.7636000000e-03 -2.7134000000e-03  2.2313000000e-03 -3.5908000000e-03 -8.4100000000e-04 -6.6880000000e-04  1.4856000000e-03 -1.7500000000e-03  4.2051000000e-03 -9.2400000000e-04  3.8904000000e-03 -1.6760000000e-03 -4.9570000000e-04 -2.1315000000e-03 -2.0990000000e-03
-
-JOB 343
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1206700000e-01  8.6970600000e-01  3.8377700000e-01  2.2133000000e-02  1.5006600000e-01 -9.4510400000e-01 -4.3702000000e-02  2.7166970000e+00  6.0937600000e-01 -8.3646400000e-01  3.1311180000e+00  2.6876600000e-01 -9.9628000000e-02  2.8347640000e+00  1.5576190000e+00
-ENERGY -1.526599061190e+02
-FORCES  8.2950000000e-04  1.4837600000e-02 -3.8460000000e-04  6.0740000000e-04 -9.3210000000e-03  1.6560000000e-03 -7.8660000000e-04 -8.8250000000e-04  2.1407000000e-03 -4.7444000000e-03 -9.3430000000e-04 -1.3600000000e-04  4.2303000000e-03 -1.4013000000e-03  2.1114000000e-03 -1.3620000000e-04 -2.2985000000e-03 -5.3876000000e-03
-
-JOB 344
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0370000000e-02  4.9051000000e-02 -9.5461400000e-01 -8.5319900000e-01 -3.4116100000e-01  2.6812600000e-01 -2.7237770000e+00 -5.6681500000e-01  4.0401300000e-01 -2.9554390000e+00 -8.4958100000e-01  1.2886640000e+00 -2.9003770000e+00 -1.3301350000e+00 -1.4588500000e-01
-ENERGY -1.526595904026e+02
-FORCES -1.3827700000e-02 -1.0437000000e-03 -6.7450000000e-04  2.0140000000e-04 -8.7600000000e-04  2.4410000000e-03  1.0100400000e-02 -1.1163000000e-03 -4.6510000000e-04 -1.6680000000e-03 -2.2378000000e-03  9.1540000000e-04  2.3767000000e-03  9.5000000000e-04 -5.1660000000e-03  2.8172000000e-03  4.3237000000e-03  2.9491000000e-03
-
-JOB 345
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5211700000e-01  5.0700700000e-01  7.9751900000e-01 -7.6606900000e-01  4.0940500000e-01 -4.0219100000e-01  2.6111640000e+00 -1.7576780000e+00  1.6738100000e+00  2.0055060000e+00 -1.9903270000e+00  2.3775750000e+00  3.2456630000e+00 -2.4741610000e+00  1.6565950000e+00
-ENERGY -1.526532065451e+02
-FORCES -1.2400000000e-03  4.0301000000e-03  1.8896000000e-03 -1.8708000000e-03 -1.9532000000e-03 -3.0338000000e-03  3.3119000000e-03 -2.0050000000e-03  1.5494000000e-03 -3.9010000000e-04 -4.6426000000e-03  1.7165000000e-03  2.7103000000e-03  1.6236000000e-03 -2.2922000000e-03 -2.5213000000e-03  2.9472000000e-03  1.7050000000e-04
-
-JOB 346
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4552500000e-01  4.4867100000e-01 -3.7590000000e-03 -1.7896000000e-02 -4.8517900000e-01 -8.2493200000e-01  2.9145030000e+00 -1.4832150000e+00 -1.6565340000e+00  2.5057670000e+00 -2.3058110000e+00 -1.9257970000e+00  2.2856030000e+00 -8.0807500000e-01 -1.9112940000e+00
-ENERGY -1.526525862230e+02
-FORCES  4.0174000000e-03 -7.7120000000e-04 -1.7856000000e-03 -4.2514000000e-03 -1.4724000000e-03 -1.3775000000e-03  8.8410000000e-04  2.3348000000e-03  2.2024000000e-03 -3.3804000000e-03 -1.8577000000e-03 -2.4912000000e-03  1.5004000000e-03  4.0359000000e-03  9.9880000000e-04  1.2298000000e-03 -2.2694000000e-03  2.4532000000e-03
-
-JOB 347
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7780000000e-01 -3.1426100000e-01 -2.1665300000e-01 -4.5529000000e-02  8.7284400000e-01 -3.9025900000e-01 -7.8638000000e-02  2.5243210000e+00 -1.4184970000e+00 -8.2169900000e-01  3.0914930000e+00 -1.2125650000e+00 -3.7358400000e-01  2.0043120000e+00 -2.1660460000e+00
-ENERGY -1.526608724437e+02
-FORCES  3.5338000000e-03  9.7796000000e-03 -3.6271000000e-03 -2.9824000000e-03  9.7280000000e-04 -1.2230000000e-04 -1.8757000000e-03 -1.0455500000e-02  1.5762000000e-03 -4.1366000000e-03  2.2079000000e-03 -2.7940000000e-03  3.5751000000e-03 -3.5642000000e-03 -1.4287000000e-03  1.8859000000e-03  1.0593000000e-03  6.3958000000e-03
-
-JOB 348
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7485800000e-01 -3.6805700000e-01 -4.2469000000e-01 -5.5353100000e-01 -7.5798300000e-01  1.8787400000e-01 -2.0842750000e+00 -1.8438740000e+00  4.0846300000e-01 -2.5982400000e+00 -1.8553770000e+00  1.2158910000e+00 -2.5086910000e+00 -2.4905180000e+00 -1.5541200000e-01
-ENERGY -1.526608780164e+02
-FORCES -6.1164000000e-03 -8.1612000000e-03  4.8880000000e-04 -3.0605000000e-03  2.3890000000e-04  1.0000000000e-03  7.8959000000e-03  5.8458000000e-03 -3.3000000000e-04 -1.5196000000e-03  5.6610000000e-04 -4.0120000000e-04  1.7225000000e-03 -9.3300000000e-04 -4.4010000000e-03  1.0783000000e-03  2.4434000000e-03  3.6434000000e-03
-
-JOB 349
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5182500000e-01  4.6489000000e-01 -5.2462700000e-01  4.0181000000e-01 -8.1405000000e-02  8.6495900000e-01  1.9710640000e+00 -2.1182220000e+00 -1.8899130000e+00  2.7400420000e+00 -2.1314760000e+00 -2.4597630000e+00  2.2887480000e+00 -1.7471670000e+00 -1.0667320000e+00
-ENERGY -1.526529980012e+02
-FORCES  2.8599000000e-03  1.9065000000e-03  1.1140000000e-04 -1.9431000000e-03 -1.8448000000e-03  3.4708000000e-03 -8.0900000000e-04 -3.2020000000e-04 -4.1709000000e-03  3.6169000000e-03  3.7530000000e-04  1.7679000000e-03 -3.6220000000e-03  5.7460000000e-04  2.5043000000e-03 -1.0270000000e-04 -6.9140000000e-04 -3.6835000000e-03
-
-JOB 350
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5410500000e-01 -2.7932100000e-01 -9.0247600000e-01  5.7527000000e-01 -5.5647700000e-01  5.2500400000e-01  1.5450670000e+00 -1.8703880000e+00  1.1418120000e+00  9.7142000000e-01 -2.6334230000e+00  1.0715360000e+00  2.4261350000e+00 -2.2380720000e+00  1.2108150000e+00
-ENERGY -1.526590400745e+02
-FORCES  1.1509900000e-02 -9.9605000000e-03  3.8757000000e-03 -8.8030000000e-04  2.9700000000e-04  2.1304000000e-03 -7.1849000000e-03  2.4738000000e-03 -1.7507000000e-03 -2.0716000000e-03  3.3657000000e-03 -3.1971000000e-03  3.7455000000e-03  4.2867000000e-03 -4.5240000000e-04 -5.1186000000e-03 -4.6280000000e-04 -6.0590000000e-04
-
-JOB 351
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3545200000e-01 -9.4526800000e-01  6.5975000000e-02 -8.5191500000e-01  1.4955800000e-01  4.1000600000e-01  7.4514100000e-01  4.8672000000e-01 -2.7149970000e+00  1.6887020000e+00  6.4365500000e-01 -2.7509920000e+00  5.0159300000e-01  6.9418600000e-01 -1.8128470000e+00
-ENERGY -1.526608467849e+02
-FORCES -1.9883000000e-03 -4.9818000000e-03 -8.5840000000e-04 -1.1359000000e-03  4.5141000000e-03  1.3712000000e-03  3.8945000000e-03 -1.2503000000e-03 -2.0872000000e-03 -3.8960000000e-04  3.0610000000e-04  9.9243000000e-03 -2.9817000000e-03 -1.0614000000e-03  7.5470000000e-04  2.6010000000e-03  2.4733000000e-03 -9.1046000000e-03
-
-JOB 352
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7235300000e-01  6.7541900000e-01 -4.8674900000e-01 -4.1107700000e-01 -8.2149500000e-01 -2.6905900000e-01 -3.5682290000e+00 -7.4584400000e-01  1.4903780000e+00 -2.7916900000e+00 -1.2416350000e+00  1.7500150000e+00 -3.2215120000e+00  2.7919000000e-02  1.0461820000e+00
-ENERGY -1.526548325089e+02
-FORCES -1.7421000000e-03 -5.3420000000e-04 -4.8082000000e-03  1.2281000000e-03 -3.0255000000e-03  2.9191000000e-03  1.1325000000e-03  3.8430000000e-03  2.3673000000e-03  5.2364000000e-03  1.8666000000e-03  7.6440000000e-04 -3.7609000000e-03  1.1396000000e-03 -1.8523000000e-03 -2.0940000000e-03 -3.2894000000e-03  6.0970000000e-04
-
-JOB 353
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1555900000e-01 -2.5550600000e-01 -1.1269200000e-01 -4.9220000000e-01 -8.1234800000e-01 -1.1858000000e-01  2.5433170000e+00  2.0395910000e+00  2.2451600000e-01  1.7927520000e+00  2.5830100000e+00 -1.5439000000e-02  2.6850460000e+00  2.2227330000e+00  1.1532810000e+00
-ENERGY -1.526580386855e+02
-FORCES  3.3345000000e-03 -3.6378000000e-03 -9.8830000000e-04 -6.1824000000e-03 -1.4769000000e-03  1.4570000000e-04  2.3963000000e-03  3.1612000000e-03  5.8450000000e-04 -3.9034000000e-03  4.1118000000e-03  3.0879000000e-03  4.5310000000e-03 -1.3771000000e-03  9.3970000000e-04 -1.7610000000e-04 -7.8130000000e-04 -3.7694000000e-03
-
-JOB 354
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0016100000e-01  4.5673900000e-01  4.6625700000e-01 -1.5948900000e-01  5.3516800000e-01 -7.7742500000e-01  1.9788610000e+00  1.5011840000e+00  8.8043400000e-01  2.2960960000e+00  1.1179600000e+00  1.6981950000e+00  1.9756360000e+00  2.4445010000e+00  1.0428400000e+00
-ENERGY -1.526573151609e+02
-FORCES  1.4417200000e-02  1.3745700000e-02  3.0381000000e-03 -3.3191000000e-03 -7.3458000000e-03  2.0902000000e-03 -4.7230000000e-04 -1.0592000000e-03  1.6380000000e-03 -7.6353000000e-03 -1.9977000000e-03 -1.4532000000e-03 -4.1891000000e-03  1.7065000000e-03 -4.9831000000e-03  1.1986000000e-03 -5.0497000000e-03 -3.2990000000e-04
-
-JOB 355
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5995700000e-01 -5.7911400000e-01 -6.0769900000e-01  5.1833100000e-01 -3.5276000000e-02  8.0394100000e-01  2.5866190000e+00 -1.3302210000e+00  8.9368300000e-01  2.6838340000e+00 -4.7998100000e-01  1.3224880000e+00  3.0664920000e+00 -1.2400480000e+00  7.0383000000e-02
-ENERGY -1.526548888756e+02
-FORCES  7.3306000000e-03 -7.6434000000e-03  2.3743000000e-03 -2.3033000000e-03  3.3594000000e-03 -1.1483000000e-03 -1.2329000000e-03  4.5298000000e-03 -2.7330000000e-04  3.8238000000e-03  3.8513000000e-03 -1.9239000000e-03 -4.0478000000e-03 -3.5848000000e-03 -2.3218000000e-03 -3.5704000000e-03 -5.1230000000e-04  3.2930000000e-03
-
-JOB 356
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5585400000e-01  9.4378500000e-01  3.4815000000e-02 -8.3058700000e-01 -3.6950300000e-01 -2.9970600000e-01 -1.1438800000e-01 -5.5530800000e-01 -3.3183230000e+00 -1.0640710000e+00 -4.7167100000e-01 -3.4039840000e+00  2.0755700000e-01 -5.6939300000e-01 -4.2196470000e+00
-ENERGY -1.526522628512e+02
-FORCES -3.1608000000e-03  1.8575000000e-03 -3.9788000000e-03  3.6170000000e-04 -3.5846000000e-03  4.5280000000e-04  1.9852000000e-03  1.6642000000e-03  2.2658000000e-03 -1.6433000000e-03  8.4100000000e-05 -4.5596000000e-03  3.7618000000e-03 -2.5710000000e-04  1.7362000000e-03 -1.3047000000e-03  2.3580000000e-04  4.0836000000e-03
-
-JOB 357
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9484500000e-01 -7.7029000000e-02 -3.3098600000e-01  4.7781300000e-01 -7.0732100000e-01 -4.3315600000e-01  2.1789290000e+00 -1.3531170000e+00 -7.9321500000e-01  1.9869040000e+00 -2.2672260000e+00 -5.8401900000e-01  2.2891300000e+00 -1.3425530000e+00 -1.7439910000e+00
-ENERGY -1.526563976744e+02
-FORCES  1.0284400000e-02 -6.1765000000e-03 -4.1803000000e-03  4.8345000000e-03 -1.6057000000e-03 -4.1650000000e-04 -1.0565900000e-02  8.2660000000e-04  1.6508000000e-03  6.7460000000e-04  5.3330000000e-04 -9.2760000000e-04 -2.6485000000e-03  6.7542000000e-03 -1.5834000000e-03 -2.5792000000e-03 -3.3190000000e-04  5.4571000000e-03
-
-JOB 358
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4085800000e-01  1.6767400000e-01  5.3875000000e-02  2.3138300000e-01 -3.4832500000e-01  8.6102500000e-01  6.8062700000e-01 -1.2437860000e+00  2.2075890000e+00  3.3481700000e-01 -1.9198630000e+00  2.7903130000e+00  1.1687160000e+00 -6.5634600000e-01  2.7845760000e+00
-ENERGY -1.526577491917e+02
-FORCES  1.6343000000e-03 -9.4594000000e-03  1.4900700000e-02  2.4454000000e-03 -1.1029000000e-03  7.4160000000e-04  1.1246000000e-03  7.1404000000e-03 -4.1549000000e-03 -4.2244000000e-03  2.1658000000e-03 -6.6242000000e-03  2.9527000000e-03  4.1336000000e-03 -1.0966000000e-03 -3.9327000000e-03 -2.8774000000e-03 -3.7666000000e-03
-
-JOB 359
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0984400000e-01 -4.6139000000e-02  7.3633800000e-01 -8.5422100000e-01 -1.9962800000e-01  3.8299700000e-01 -2.1453270000e+00 -6.9452400000e-01  1.5071100000e+00 -2.0452970000e+00 -9.3881500000e-01  2.4271900000e+00 -2.5448970000e+00  1.7494100000e-01  1.5317330000e+00
-ENERGY -1.526576265229e+02
-FORCES -1.0533500000e-02 -6.6734000000e-03  1.1808500000e-02 -1.0257000000e-03  4.6010000000e-04 -1.7495000000e-03  2.2905000000e-03  6.9050000000e-03 -5.7959000000e-03  5.1414000000e-03  1.7072000000e-03  1.5544000000e-03 -1.0891000000e-03  2.2597000000e-03 -4.2774000000e-03  5.2164000000e-03 -4.6586000000e-03 -1.5401000000e-03
-
-JOB 360
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1331000000e-01  3.4185000000e-02 -2.8448000000e-01  3.4472600000e-01  8.7152900000e-01 -1.9450500000e-01 -2.4294450000e+00 -1.3573450000e+00 -6.7684900000e-01 -3.3373840000e+00 -1.2758580000e+00 -3.8489500000e-01 -2.1686550000e+00 -2.2378790000e+00 -4.0688400000e-01
-ENERGY -1.526604827971e+02
-FORCES -6.6266000000e-03 -7.4690000000e-04 -2.9769000000e-03  8.0281000000e-03  5.3825000000e-03  2.4268000000e-03 -2.6529000000e-03 -2.8929000000e-03  2.7180000000e-04  1.0180000000e-04 -5.1334000000e-03  2.7808000000e-03  4.3460000000e-03 -1.9470000000e-04 -1.0635000000e-03 -3.1963000000e-03  3.5854000000e-03 -1.4390000000e-03
-
-JOB 361
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5020800000e-01 -5.1429500000e-01 -5.9076500000e-01 -1.9407500000e-01  9.1041200000e-01 -2.2297100000e-01 -1.9664580000e+00 -2.2513000000e-02  1.9063840000e+00 -2.0167970000e+00 -9.5036300000e-01  2.1361480000e+00 -1.2625480000e+00  2.6716000000e-02  1.2596090000e+00
-ENERGY -1.526582755897e+02
-FORCES -3.7312000000e-03  1.4529000000e-03 -2.2950000000e-03  1.3797000000e-03  2.9414000000e-03  6.2654000000e-03 -1.3235000000e-03 -6.4108000000e-03  3.9432000000e-03  1.3698300000e-02 -2.9747000000e-03 -8.3777000000e-03  1.3300000000e-04  2.3796000000e-03 -1.8689000000e-03 -1.0156400000e-02  2.6117000000e-03  2.3329000000e-03
-
-JOB 362
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4340000000e-03  7.6929100000e-01  5.6950300000e-01  2.6055700000e-01  3.3372000000e-01 -8.5847100000e-01  5.0469800000e-01  2.7920220000e+00  2.1963600000e-01 -3.3792900000e-01  3.2120980000e+00  4.7163000000e-02  6.7413000000e-01  2.9652420000e+00  1.1456590000e+00
-ENERGY -1.526573394070e+02
-FORCES  4.3243000000e-03  1.3727700000e-02 -2.1490000000e-03 -2.5107000000e-03 -5.2324000000e-03  4.0730000000e-03 -1.7868000000e-03 -3.6753000000e-03  4.4670000000e-04 -1.8704000000e-03  2.1001000000e-03  1.0458000000e-03  4.1978000000e-03 -3.3248000000e-03  1.1711000000e-03 -2.3541000000e-03 -3.5954000000e-03 -4.5876000000e-03
-
-JOB 363
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3028100000e-01 -6.6767000000e-02  8.9592900000e-01  9.4155100000e-01 -1.5305700000e-01  7.9293000000e-02 -1.0405220000e+00  2.5417500000e-01  2.6474240000e+00 -8.0920300000e-01  1.6508000000e-02  3.5453320000e+00 -1.8661910000e+00  7.3123800000e-01  2.7305730000e+00
-ENERGY -1.526611673174e+02
-FORCES -7.5160000000e-04  3.8180000000e-04  1.0407500000e-02  2.5605000000e-03 -9.3020000000e-04 -9.0890000000e-03 -2.6892000000e-03  2.2590000000e-04  1.9510000000e-04 -1.2552000000e-03  1.0537000000e-03  1.0165000000e-03 -1.8518000000e-03  1.9095000000e-03 -3.5662000000e-03  3.9873000000e-03 -2.6408000000e-03  1.0361000000e-03
-
-JOB 364
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3391500000e-01 -4.2709600000e-01  1.9597600000e-01 -2.3723000000e-01 -3.2403600000e-01 -8.6888100000e-01 -1.0713900000e-01  2.7583660000e+00  4.3015800000e-01 -1.6056900000e-01  2.7427520000e+00  1.3857380000e+00 -5.2003000000e-02  1.8366820000e+00  1.7778700000e-01
-ENERGY -1.526612593769e+02
-FORCES  2.0632000000e-03 -1.3910000000e-04 -1.6336000000e-03 -4.5418000000e-03  1.9355000000e-03 -1.3729000000e-03  2.1592000000e-03  1.7887000000e-03  4.5510000000e-03 -3.9840000000e-04 -1.3678600000e-02  8.0920000000e-04  7.3240000000e-04  7.4000000000e-05 -2.4238000000e-03 -1.4700000000e-05  1.0019500000e-02  7.0100000000e-05
-
-JOB 365
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9636500000e-01  5.7812400000e-01  3.1157600000e-01 -7.1848400000e-01  5.9036700000e-01 -2.2689000000e-01  7.3373700000e-01 -9.8693100000e-01 -2.4008810000e+00 -2.2504000000e-02 -1.5479230000e+00 -2.5729820000e+00  5.8505500000e-01 -6.4780900000e-01 -1.5182020000e+00
-ENERGY -1.526596563940e+02
-FORCES  3.5040000000e-04  2.2601000000e-03 -4.7733000000e-03 -3.8280000000e-03 -3.3178000000e-03 -3.5727000000e-03  4.3957000000e-03 -3.4517000000e-03  7.8140000000e-04 -6.3878000000e-03  3.4407000000e-03  1.6207000000e-02  1.3170000000e-03  2.2422000000e-03  5.5090000000e-04  4.1528000000e-03 -1.1735000000e-03 -9.1934000000e-03
-
-JOB 366
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0819500000e-01  2.9758700000e-01  5.3445000000e-02  5.1115800000e-01  7.2261500000e-01  3.6438500000e-01  1.6628560000e+00  2.0843360000e+00 -2.3793740000e+00  2.5184510000e+00  2.5012840000e+00 -2.2776690000e+00  1.7435720000e+00  1.2534970000e+00 -1.9109480000e+00
-ENERGY -1.526563283777e+02
-FORCES -3.9295000000e-03  4.7236000000e-03  2.1899000000e-03  3.7270000000e-03 -1.6895000000e-03  5.3320000000e-04 -7.6790000000e-04 -3.8270000000e-03 -2.4641000000e-03  3.2560000000e-03 -3.1570000000e-03  9.5540000000e-04 -3.7049000000e-03 -1.7578000000e-03  2.2130000000e-04  1.4193000000e-03  5.7076000000e-03 -1.4357000000e-03
-
-JOB 367
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4167800000e-01 -7.2355000000e-01  6.1043800000e-01 -6.4511200000e-01 -3.3448000000e-01 -6.2304600000e-01 -2.9297430000e+00 -2.1919560000e+00  6.3173400000e-01 -2.8450310000e+00 -1.2429030000e+00  7.2313600000e-01 -2.5329200000e+00 -2.3876770000e+00 -2.1706400000e-01
-ENERGY -1.526540415965e+02
-FORCES -3.1980000000e-04 -4.7112000000e-03  1.1240000000e-04 -8.1050000000e-04  3.7692000000e-03 -3.1294000000e-03  1.1781000000e-03  1.1415000000e-03  3.0661000000e-03  6.4100000000e-05  3.0359000000e-03 -2.6440000000e-03  3.0950000000e-04 -5.0474000000e-03 -1.2006000000e-03 -4.2140000000e-04  1.8120000000e-03  3.7955000000e-03
-
-JOB 368
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1435300000e-01  1.8140200000e-01 -9.1508400000e-01 -8.4869900000e-01 -1.2035100000e-01  4.2597800000e-01 -1.3334740000e+00  4.2157500000e-01 -2.3349900000e+00 -2.2369500000e+00  7.3670100000e-01 -2.3093250000e+00 -1.1376270000e+00  3.3005200000e-01 -3.2674590000e+00
-ENERGY -1.526588742595e+02
-FORCES -9.8025000000e-03  1.4405000000e-03 -1.1750700000e-02  5.3990000000e-03 -9.2800000000e-04  4.8233000000e-03  1.8856000000e-03  6.6080000000e-04 -8.7300000000e-05  2.5050000000e-04  5.2300000000e-05  3.7117000000e-03  4.0468000000e-03 -2.0821000000e-03 -1.2854000000e-03 -1.7795000000e-03  8.5650000000e-04  4.5884000000e-03
-
-JOB 369
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2912000000e-02 -9.3538200000e-01 -1.8552200000e-01 -1.4061000000e-02  5.4822000000e-02  9.5552500000e-01 -1.1099020000e+00  1.9498520000e+00 -1.6735300000e+00 -4.3417900000e-01  2.6197650000e+00 -1.7776860000e+00 -7.0842600000e-01  1.2898690000e+00 -1.1083130000e+00
-ENERGY -1.526616902246e+02
-FORCES -1.9884000000e-03 -7.6650000000e-04  1.9810000000e-04 -5.8900000000e-05  4.1875000000e-03  2.5376000000e-03  6.9140000000e-04 -1.4807000000e-03 -4.5587000000e-03  6.5869000000e-03 -6.9816000000e-03  6.6434000000e-03 -1.6740000000e-03 -2.1199000000e-03  9.1090000000e-04 -3.5570000000e-03  7.1611000000e-03 -5.7312000000e-03
-
-JOB 370
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1077700000e-01  6.2142700000e-01  5.1881300000e-01 -8.9795400000e-01  3.2797100000e-01  4.8433000000e-02 -1.0406600000e-01 -2.4502560000e+00  1.3654670000e+00  1.3311900000e-01 -1.5858020000e+00  1.0297660000e+00 -1.4496000000e-02 -2.3717390000e+00  2.3152270000e+00
-ENERGY -1.526596095853e+02
-FORCES -4.2520000000e-03  2.3831000000e-03  5.4570000000e-04 -3.0831000000e-03 -5.4939000000e-03 -7.4030000000e-04  5.3740000000e-03 -7.9600000000e-04  3.6600000000e-04  1.3259000000e-03  1.0345500000e-02 -4.6106000000e-03  8.2350000000e-04 -8.0546000000e-03  7.9595000000e-03 -1.8840000000e-04  1.6159000000e-03 -3.5204000000e-03
-
-JOB 371
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2919000000e-02 -5.6634900000e-01  7.7048000000e-01  8.8500300000e-01 -1.2669700000e-01 -3.4197800000e-01 -3.5209600000e-01  2.5919460000e+00  1.0639230000e+00 -1.2692400000e+00  2.7536640000e+00  8.4272700000e-01 -1.2226800000e-01  1.8031420000e+00  5.7280400000e-01
-ENERGY -1.526613532654e+02
-FORCES  1.7380000000e-03 -2.4277000000e-03  3.5214000000e-03  8.0060000000e-04  2.6579000000e-03 -4.4949000000e-03 -4.5809000000e-03  1.8260000000e-03  2.8076000000e-03 -1.4819000000e-03 -1.1087600000e-02 -6.5492000000e-03  2.4938000000e-03 -6.1880000000e-04  9.6640000000e-04  1.0305000000e-03  9.6501000000e-03  3.7487000000e-03
-
-JOB 372
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2091500000e-01  2.0007000000e-01 -4.4978000000e-01  3.0682200000e-01 -8.0911500000e-01 -4.0917500000e-01  1.2744790000e+00 -2.6085370000e+00 -1.0814000000e-01  1.7111800000e+00 -3.4354320000e+00 -3.1251500000e-01  1.0947600000e+00 -2.6577010000e+00  8.3075100000e-01
-ENERGY -1.526610660520e+02
-FORCES  1.0168000000e-03 -5.5278000000e-03 -4.2250000000e-03  2.9193000000e-03 -1.2765000000e-03  1.2529000000e-03 -4.6431000000e-03  7.4011000000e-03  2.9855000000e-03  1.6003000000e-03 -2.7320000000e-03  2.9385000000e-03 -1.8980000000e-03  2.9894000000e-03  2.3372000000e-03  1.0047000000e-03 -8.5420000000e-04 -5.2891000000e-03
-
-JOB 373
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3537000000e-01  3.7671200000e-01 -6.9835500000e-01 -6.5775000000e-02 -9.4592400000e-01 -1.3089500000e-01  2.4747580000e+00  1.0349480000e+00 -6.0894700000e-01  2.4694360000e+00  1.9750660000e+00 -4.2900200000e-01  1.6285800000e+00  7.2418900000e-01 -2.8700800000e-01
-ENERGY -1.526609993515e+02
-FORCES  1.5775000000e-03 -1.9145000000e-03 -4.4118000000e-03  3.6855000000e-03 -1.7505000000e-03  3.6862000000e-03 -4.2320000000e-04  5.1861000000e-03  9.6000000000e-06 -1.2174300000e-02 -3.8808000000e-03  5.2337000000e-03 -1.7026000000e-03 -2.9308000000e-03 -7.0330000000e-04  9.0370000000e-03  5.2905000000e-03 -3.8144000000e-03
-
-JOB 374
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5400900000e-01 -8.0656900000e-01 -3.7464100000e-01  9.3059800000e-01 -1.8343400000e-01  1.2872800000e-01  2.7019310000e+00 -1.6542900000e-01 -2.9649300000e-01  3.5165010000e+00  3.3659500000e-01 -2.7041900000e-01  2.9541170000e+00 -1.0465420000e+00 -2.0314000000e-02
-ENERGY -1.526573363990e+02
-FORCES  1.2296300000e-02 -7.6540000000e-04 -3.2398000000e-03  2.4532000000e-03  1.8297000000e-03  1.4448000000e-03 -7.3208000000e-03 -4.6579000000e-03  2.5501000000e-03 -6.1730000000e-04  2.7257000000e-03  5.8150000000e-04 -2.8605000000e-03 -4.1079000000e-03 -5.4570000000e-04 -3.9509000000e-03  4.9759000000e-03 -7.9100000000e-04
-
-JOB 375
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6898400000e-01  7.3605000000e-01  3.9308500000e-01  3.0376300000e-01  3.3252200000e-01 -8.4462400000e-01  1.6685050000e+00 -2.0421840000e+00  6.0244800000e-01  1.6758910000e+00 -2.1318110000e+00  1.5554140000e+00  1.1141770000e+00 -1.2794800000e+00  4.3742300000e-01
-ENERGY -1.526597668592e+02
-FORCES  3.1347000000e-03 -1.5700000000e-03  1.5494000000e-03  2.0609000000e-03 -2.7217000000e-03 -3.3796000000e-03 -1.4145000000e-03 -1.5691000000e-03  5.3676000000e-03 -9.8828000000e-03  1.0918100000e-02  4.5340000000e-04 -4.6520000000e-04  7.7680000000e-04 -2.3603000000e-03  6.5668000000e-03 -5.8342000000e-03 -1.6305000000e-03
-
-JOB 376
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0641600000e-01  9.1728900000e-01  1.7945800000e-01  4.7005700000e-01 -4.8842100000e-01  6.7581300000e-01  6.8559400000e-01  2.7686400000e+00 -3.9620600000e-01  9.3072600000e-01  3.2409400000e+00 -1.1918660000e+00  2.5262500000e-01  3.4255150000e+00  1.4903200000e-01
-ENERGY -1.526599355573e+02
-FORCES  3.9706000000e-03  7.5429000000e-03  6.4000000000e-05 -3.2707000000e-03 -8.1716000000e-03  4.3796000000e-03 -1.2662000000e-03  2.5652000000e-03 -2.0222000000e-03 -2.0350000000e-04  2.0750000000e-03 -4.5343000000e-03 -1.2080000000e-03 -1.8700000000e-05  4.4171000000e-03  1.9779000000e-03 -3.9929000000e-03 -2.3041000000e-03
-
-JOB 377
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2939900000e-01 -4.5097500000e-01  7.7739900000e-01  1.4452200000e-01  9.2857000000e-01  1.8194100000e-01 -2.0582020000e+00 -4.2968500000e-01 -2.9663630000e+00 -2.0955290000e+00  1.6068800000e-01 -3.7188910000e+00 -1.8621750000e+00 -1.2872830000e+00 -3.3436300000e+00
-ENERGY -1.526522624662e+02
-FORCES  1.1519000000e-03  2.5859000000e-03  3.5427000000e-03 -1.4403000000e-03  1.5299000000e-03 -3.5282000000e-03 -2.3140000000e-04 -3.7848000000e-03 -5.7130000000e-04  1.7236000000e-03 -1.6328000000e-03 -3.8970000000e-03  9.3700000000e-05 -2.0816000000e-03  3.2944000000e-03 -1.2975000000e-03  3.3835000000e-03  1.1593000000e-03
-
-JOB 378
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4822100000e-01  6.7696300000e-01  5.0700200000e-01 -9.3028500000e-01  1.5190900000e-01  1.6650900000e-01 -2.6170240000e+00 -6.5159700000e-01  4.5448400000e-01 -3.3149230000e+00 -1.1048500000e-01  8.5204000000e-02 -2.5262890000e+00 -3.4368600000e-01  1.3562540000e+00
-ENERGY -1.526560068032e+02
-FORCES -1.0987800000e-02 -1.9751000000e-03  6.1660000000e-04 -4.2396000000e-03 -2.6157000000e-03 -5.4690000000e-04  8.2742000000e-03  5.6376000000e-03  2.9189000000e-03 -1.2831000000e-03 -5.1970000000e-04  2.1087000000e-03  5.5490000000e-03 -1.7892000000e-03  2.0744000000e-03  2.6873000000e-03  1.2620000000e-03 -7.1716000000e-03
-
-JOB 379
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7993700000e-01 -5.4191400000e-01  5.3500800000e-01 -1.7909700000e-01 -5.3272300000e-01 -7.7483000000e-01 -2.4972000000e-01  2.6694610000e+00  4.8320200000e-01 -1.1529800000e-01  1.8390200000e+00  2.6551000000e-02 -4.6116900000e-01  2.4175450000e+00  1.3821230000e+00
-ENERGY -1.526592624251e+02
-FORCES  1.5749000000e-03  2.3697000000e-03  1.4370000000e-03 -3.6631000000e-03  1.5581000000e-03 -2.9582000000e-03  1.6070000000e-03  2.6227000000e-03  4.1529000000e-03  8.0200000000e-05 -1.5613000000e-02  1.2500000000e-05 -6.4640000000e-04  7.3217000000e-03 -1.4269000000e-03  1.0474000000e-03  1.7409000000e-03 -1.2173000000e-03
-
-JOB 380
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2122800000e-01  3.1730100000e-01  5.4349100000e-01  4.0440500000e-01 -1.9528700000e-01 -8.4531200000e-01  5.1482200000e-01 -2.1697100000e-01 -2.5907270000e+00  7.6998600000e-01  4.9814500000e-01 -3.1735920000e+00  7.3201300000e-01 -1.0122070000e+00 -3.0772050000e+00
-ENERGY -1.526589899989e+02
-FORCES  4.0918000000e-03 -8.4380000000e-04 -1.3990500000e-02 -1.3484000000e-03 -6.5790000000e-04 -3.4243000000e-03 -3.6190000000e-04 -9.4740000000e-04  9.0690000000e-03 -1.1477000000e-03  2.5014000000e-03  4.4286000000e-03 -6.1580000000e-04 -4.7929000000e-03  1.5678000000e-03 -6.1800000000e-04  4.7405000000e-03  2.3494000000e-03
-
-JOB 381
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1330000000e-01 -9.1688600000e-01  2.5043000000e-01  4.5907000000e-02  4.8177600000e-01  8.2584300000e-01 -2.6945620000e+00 -2.2835300000e-01 -1.3868100000e-01 -1.7381400000e+00 -2.2424000000e-01 -1.7705000000e-01 -2.9536600000e+00 -9.6716800000e-01 -6.8936300000e-01
-ENERGY -1.526586618854e+02
-FORCES -2.5534000000e-03  3.3600000000e-05  4.9456000000e-03 -4.8951000000e-03  5.2545000000e-03 -2.4070000000e-03 -1.0949000000e-03 -3.6252000000e-03 -4.8738000000e-03  1.5488400000e-02  1.8189000000e-03 -2.4135000000e-03 -1.0078300000e-02 -5.0668000000e-03  2.7684000000e-03  3.1332000000e-03  1.5849000000e-03  1.9803000000e-03
-
-JOB 382
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3241600000e-01 -6.1044000000e-02 -2.0762100000e-01 -1.9345200000e-01  9.3668600000e-01 -3.7769000000e-02 -2.6870010000e+00 -1.0729010000e+00 -5.1784400000e-01 -2.6728050000e+00 -1.8937400000e+00 -2.5651000000e-02 -1.8573410000e+00 -6.4809800000e-01 -3.0004000000e-01
-ENERGY -1.526603207350e+02
-FORCES  3.8927000000e-03  1.2051000000e-03 -2.2131000000e-03 -3.6615000000e-03  1.8533000000e-03  1.6260000000e-03 -1.1090000000e-04 -5.6568000000e-03 -3.0210000000e-04  9.3588000000e-03 -6.5910000000e-04  3.2080000000e-03 -4.6030000000e-04  2.1424000000e-03 -1.6875000000e-03 -9.0186000000e-03  1.1151000000e-03 -6.3130000000e-04
-
-JOB 383
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0632000000e-02  4.7962600000e-01 -8.2681700000e-01 -2.3190000000e-03  6.8077500000e-01  6.7288300000e-01 -2.0538800000e+00 -1.6519530000e+00  6.3684800000e-01 -1.3651480000e+00 -1.0061650000e+00  4.7924500000e-01 -1.9272130000e+00 -1.9206910000e+00  1.5467750000e+00
-ENERGY -1.526595111995e+02
-FORCES -3.5746000000e-03  4.8550000000e-04 -1.6944000000e-03  5.3310000000e-04 -1.6212000000e-03  5.1770000000e-03 -1.9298000000e-03 -5.0605000000e-03 -3.2716000000e-03  1.2938600000e-02  7.8371000000e-03 -2.9489000000e-03 -8.6837000000e-03 -3.9671000000e-03  5.1994000000e-03  7.1640000000e-04  2.3262000000e-03 -2.4615000000e-03
-
-JOB 384
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0121000000e-02  7.7855600000e-01 -5.5648700000e-01 -9.0516800000e-01 -1.1041000000e-01  2.9105400000e-01  3.5110800000e+00  1.5811530000e+00  1.6542100000e-01  3.5371280000e+00  1.5145180000e+00 -7.8910100000e-01  2.6375420000e+00  1.2708480000e+00  4.0390500000e-01
-ENERGY -1.526559990800e+02
-FORCES -6.1969000000e-03  1.4645000000e-03 -8.4540000000e-04  1.7493000000e-03 -3.1700000000e-03  2.9380000000e-03  3.7477000000e-03  5.3890000000e-04 -1.6688000000e-03 -3.6161000000e-03 -3.1897000000e-03 -2.1093000000e-03 -3.6410000000e-04  8.4410000000e-04  3.5635000000e-03  4.6802000000e-03  3.5122000000e-03 -1.8781000000e-03
-
-JOB 385
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1914800000e-01 -2.9400800000e-01  3.9848100000e-01 -4.2497200000e-01 -8.0475800000e-01 -2.9664100000e-01 -1.2454820000e+00 -1.6310060000e+00  2.1980590000e+00 -3.3393500000e-01 -1.4472030000e+00  2.4250610000e+00 -1.4773330000e+00 -9.5048100000e-01  1.5661070000e+00
-ENERGY -1.526555360013e+02
-FORCES  3.3083000000e-03 -6.3644000000e-03 -1.7640000000e-04 -4.1727000000e-03  1.3365000000e-03 -1.1790000000e-04 -3.2640000000e-04  4.9661000000e-03  3.7152000000e-03  4.2868000000e-03  8.5102000000e-03 -2.5911000000e-03 -1.7400000000e-03 -2.2409000000e-03 -1.1055000000e-03 -1.3561000000e-03 -6.2075000000e-03  2.7580000000e-04
-
-JOB 386
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4567100000e-01  5.9227700000e-01 -9.7030000000e-02  6.3260000000e-01  4.9402400000e-01  5.2152600000e-01 -2.2776860000e+00  1.2852620000e+00 -9.9183900000e-01 -2.2253140000e+00  1.9886410000e+00 -3.4473300000e-01 -1.8355980000e+00  1.6367460000e+00 -1.7646580000e+00
-ENERGY -1.526566522184e+02
-FORCES -9.1112000000e-03  4.5120000000e-03 -2.7044000000e-03  9.1814000000e-03  1.0200000000e-03  5.4565000000e-03 -4.1241000000e-03  1.1230000000e-04 -2.4983000000e-03  1.3612000000e-03  2.7296000000e-03 -3.8498000000e-03  4.5082000000e-03 -6.8747000000e-03 -1.8918000000e-03 -1.8156000000e-03 -1.4992000000e-03  5.4877000000e-03
-
-JOB 387
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4280800000e-01 -6.2623900000e-01  6.3760500000e-01  1.0585800000e-01  8.5320200000e-01  4.2079900000e-01  2.2815500000e-01 -2.3311300000e-01 -2.7605030000e+00  2.1011400000e-01  4.8234000000e-02 -1.8457620000e+00  1.0036670000e+00 -7.9048700000e-01 -2.8249020000e+00
-ENERGY -1.526596634145e+02
-FORCES  1.4243000000e-03 -2.1527000000e-03  2.9120000000e-04 -1.3982000000e-03  4.0839000000e-03 -2.1121000000e-03  1.0220000000e-04 -4.7143000000e-03 -2.8159000000e-03  1.1121000000e-03 -9.2740000000e-04  1.3219800000e-02  8.8070000000e-04  2.5089000000e-03 -8.9061000000e-03 -2.1213000000e-03  1.2017000000e-03  3.2310000000e-04
-
-JOB 388
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9039500000e-01 -3.5169200000e-01 -4.0965900000e-01  1.4976700000e-01 -5.6572700000e-01  7.5746600000e-01  2.2700260000e+00  1.2299920000e+00 -1.8318850000e+00  2.5689540000e+00  1.0450220000e+00 -9.4157000000e-01  1.3541850000e+00  1.4884870000e+00 -1.7286980000e+00
-ENERGY -1.526569865098e+02
-FORCES -2.2746000000e-03 -4.9244000000e-03  9.4620000000e-04  3.2932000000e-03  1.9278000000e-03  1.8691000000e-03 -4.7900000000e-04  2.4590000000e-03 -3.2475000000e-03 -6.0064000000e-03 -2.2821000000e-03  7.1099000000e-03  1.8235000000e-03  1.2918000000e-03 -3.1758000000e-03  3.6433000000e-03  1.5279000000e-03 -3.5019000000e-03
-
-JOB 389
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5792800000e-01  7.4242200000e-01  3.9413600000e-01 -8.9704600000e-01  7.0592000000e-02  3.2643000000e-01  1.2348520000e+00  2.0095090000e+00  1.3570310000e+00  1.3397990000e+00  1.9022330000e+00  2.3023930000e+00  1.8326180000e+00  2.7213090000e+00  1.1284510000e+00
-ENERGY -1.526606077281e+02
-FORCES  4.3826000000e-03  1.1330100000e-02  7.0030000000e-03 -4.2071000000e-03 -6.5088000000e-03 -3.9581000000e-03  2.6936000000e-03 -7.4600000000e-05 -6.2500000000e-05 -2.2210000000e-04 -3.5385000000e-03 -1.2732000000e-03 -1.0690000000e-04  2.0214000000e-03 -4.6027000000e-03 -2.5402000000e-03 -3.2295000000e-03  2.8935000000e-03
-
-JOB 390
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0336400000e-01 -1.8042700000e-01 -7.9391600000e-01  6.0639200000e-01 -1.8764200000e-01  7.1645800000e-01 -8.4805600000e-01  2.1670290000e+00  1.7361420000e+00 -1.6181270000e+00  2.7354980000e+00  1.7279350000e+00 -8.8422300000e-01  1.7018740000e+00  9.0034600000e-01
-ENERGY -1.526612563360e+02
-FORCES  5.2450000000e-03 -1.8917000000e-03  1.0250000000e-03 -1.7490000000e-03  4.2980000000e-04  3.8350000000e-03 -2.5764000000e-03  4.8300000000e-04 -4.7891000000e-03 -1.3434000000e-03 -3.2578000000e-03 -5.8082000000e-03  2.5471000000e-03 -2.3377000000e-03 -1.1184000000e-03 -2.1233000000e-03  6.5744000000e-03  6.8557000000e-03
-
-JOB 391
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9323100000e-01 -6.5615500000e-01  7.1572000000e-02 -3.7560900000e-01  6.8684500000e-01 -5.5081200000e-01 -2.2056770000e+00  2.3243120000e+00  1.2471840000e+00 -1.3966330000e+00  2.8353040000e+00  1.2233710000e+00 -2.8362710000e+00  2.8937160000e+00  1.6880480000e+00
-ENERGY -1.526557226393e+02
-FORCES -6.8741000000e-03  5.1850000000e-04 -7.7650000000e-04  3.5734000000e-03  1.3270000000e-03 -9.7180000000e-04  3.3256000000e-03 -2.2601000000e-03  1.4695000000e-03  1.2703000000e-03  4.4773000000e-03  3.0624000000e-03 -4.0696000000e-03 -1.5235000000e-03 -1.0754000000e-03  2.7745000000e-03 -2.5392000000e-03 -1.7082000000e-03
-
-JOB 392
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4573700000e-01  8.9761000000e-02 -1.1729000000e-01 -3.2613600000e-01  8.9975800000e-01  1.7397000000e-02 -1.9075390000e+00  1.7975860000e+00  3.2323270000e+00 -1.9614690000e+00  2.7035320000e+00  3.5366050000e+00 -2.8069060000e+00  1.4737310000e+00  3.2822020000e+00
-ENERGY -1.526545197867e+02
-FORCES  2.1007000000e-03  4.5406000000e-03  1.0984000000e-03 -3.6220000000e-03 -4.2850000000e-04  1.9020000000e-04  1.7032000000e-03 -3.7633000000e-03 -1.6993000000e-03 -4.3317000000e-03  1.5979000000e-03  2.1978000000e-03  4.5560000000e-04 -3.7155000000e-03 -1.6188000000e-03  3.6942000000e-03  1.7688000000e-03 -1.6830000000e-04
-
-JOB 393
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1581500000e-01  1.9696900000e-01 -6.0418900000e-01 -7.0738000000e-01 -3.1739800000e-01 -5.6134000000e-01  2.1952040000e+00 -4.0254400000e-01 -2.5011640000e+00  2.9855860000e+00  3.4991000000e-02 -2.1847910000e+00  2.4928960000e+00 -9.2870600000e-01 -3.2433000000e+00
-ENERGY -1.526582774428e+02
-FORCES  1.5379000000e-03 -1.8155000000e-03 -7.4485000000e-03 -3.0727000000e-03  1.8963000000e-03  5.9290000000e-03  1.3753000000e-03  1.1497000000e-03  2.7860000000e-03  5.0591000000e-03 -2.1425000000e-03 -3.4427000000e-03 -4.3358000000e-03 -1.6654000000e-03 -8.3100000000e-04 -5.6380000000e-04  2.5775000000e-03  3.0073000000e-03
-
-JOB 394
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0608900000e-01  4.4023300000e-01  7.4667100000e-01 -5.4126800000e-01 -6.8580300000e-01  3.9107000000e-01 -1.1008360000e+00 -1.1970270000e+00  2.3071300000e+00 -1.9324300000e+00 -1.1544080000e+00  2.7792180000e+00 -8.6986300000e-01 -2.1259330000e+00  2.3112600000e+00
-ENERGY -1.526588294696e+02
-FORCES -4.5412000000e-03 -2.8182000000e-03  1.2679100000e-02  8.6780000000e-04  5.5490000000e-04 -3.6564000000e-03  2.7344000000e-03 -1.1670000000e-03 -6.6384000000e-03 -1.9049000000e-03 -1.0187000000e-03  1.5300000000e-03  4.3949000000e-03 -8.4970000000e-04 -1.9963000000e-03 -1.5510000000e-03  5.2988000000e-03 -1.9179000000e-03
-
-JOB 395
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2473200000e-01 -5.3144000000e-01  4.9347100000e-01  4.3078300000e-01  8.4935800000e-01 -9.6169000000e-02  2.3832740000e+00 -1.6766520000e+00 -2.2565190000e+00  3.0465620000e+00 -2.2699750000e+00 -2.6090090000e+00  1.9164780000e+00 -2.1988970000e+00 -1.6041440000e+00
-ENERGY -1.526542752110e+02
-FORCES  5.1277000000e-03  2.5421000000e-03  5.7110000000e-04 -2.8165000000e-03  8.7220000000e-04 -2.1688000000e-03 -2.3920000000e-03 -3.1000000000e-03  1.3058000000e-03 -3.2760000000e-04 -4.8662000000e-03  4.7250000000e-04 -2.8273000000e-03  2.6397000000e-03  1.5732000000e-03  3.2357000000e-03  1.9121000000e-03 -1.7539000000e-03
-
-JOB 396
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8571900000e-01 -5.3385000000e-02 -5.4408300000e-01  2.9348100000e-01 -2.6420200000e-01  8.7195100000e-01 -1.6846200000e-01 -7.3001600000e-01  2.6368380000e+00  3.9588000000e-02 -1.6414550000e+00  2.8423300000e+00 -6.8675000000e-02 -2.6759100000e-01  3.4689670000e+00
-ENERGY -1.526595426823e+02
-FORCES  7.3350000000e-04 -2.0943000000e-03  1.0050900000e-02 -2.0618000000e-03 -6.6510000000e-04  3.5674000000e-03  2.4835000000e-03  7.3260000000e-04 -1.0025900000e-02 -7.0630000000e-04  2.6670000000e-04  1.1087000000e-03  2.2000000000e-06  5.1741000000e-03 -1.2089000000e-03 -4.5100000000e-04 -3.4140000000e-03 -3.4923000000e-03
-
-JOB 397
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6039100000e-01  8.1098000000e-02  9.4017500000e-01  8.8310500000e-01  3.4793400000e-01 -1.2369000000e-01 -8.9066400000e-01 -2.4500600000e+00 -8.1758900000e-01 -1.7683950000e+00 -2.3227450000e+00 -1.1776050000e+00 -4.9817900000e-01 -1.5770850000e+00 -8.2769200000e-01
-ENERGY -1.526603589406e+02
-FORCES -6.1670000000e-04 -4.2936000000e-03  3.9900000000e-03  1.9043000000e-03  1.5881000000e-03 -4.4636000000e-03 -4.3381000000e-03 -2.3648000000e-03  1.0312000000e-03  2.6362000000e-03  1.2824100000e-02  2.4083000000e-03  2.6022000000e-03  3.9750000000e-04  1.6073000000e-03 -2.1880000000e-03 -8.1511000000e-03 -4.5732000000e-03
-
-JOB 398
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3371000000e-01  7.5142400000e-01 -5.4495300000e-01 -1.9708300000e-01  2.8101700000e-01  8.9354300000e-01  1.8236590000e+00 -3.0039270000e+00 -1.1828600000e+00  2.4171250000e+00 -3.7332140000e+00 -1.3622220000e+00  1.1757730000e+00 -3.3649790000e+00 -5.7778300000e-01
-ENERGY -1.526533907480e+02
-FORCES -1.0722000000e-03  4.7770000000e-03  5.8750000000e-04  6.9800000000e-04 -2.9207000000e-03  2.5500000000e-03  7.5290000000e-04 -1.6182000000e-03 -3.6175000000e-03 -1.2444000000e-03 -3.6098000000e-03  2.4353000000e-03 -2.3282000000e-03  3.2514000000e-03  6.6980000000e-04  3.1939000000e-03  1.2030000000e-04 -2.6252000000e-03
-
-JOB 399
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2688800000e-01  3.3190900000e-01  3.4975000000e-01 -2.2896700000e-01 -3.5930800000e-01 -8.5714900000e-01 -2.2067000000e+00  8.8528600000e-01  1.5255400000e+00 -2.8823650000e+00  3.8188000000e-01  1.9797340000e+00 -2.6767450000e+00  1.6246390000e+00  1.1399910000e+00
-ENERGY -1.526604942802e+02
-FORCES -9.1564000000e-03  1.9066000000e-03  4.4502000000e-03  7.3848000000e-03 -1.1312000000e-03 -7.6462000000e-03 -4.5060000000e-04  1.5060000000e-03  3.0239000000e-03 -2.4882000000e-03 -1.2132000000e-03  1.5443000000e-03  2.1748000000e-03  3.7356000000e-03 -2.3078000000e-03  2.5355000000e-03 -4.8038000000e-03  9.3560000000e-04
-
-JOB 400
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4133100000e-01 -2.7143700000e-01 -3.6703600000e-01  4.3311000000e-02  9.5604800000e-01  1.8114000000e-02 -1.5630930000e+00  1.1673580000e+00  3.2446820000e+00 -7.2962000000e-01  1.3707200000e+00  2.8201830000e+00 -1.3207530000e+00  6.5583100000e-01  4.0165910000e+00
-ENERGY -1.526536990037e+02
-FORCES  2.9652000000e-03  2.4641000000e-03 -3.0466000000e-03 -3.6608000000e-03  1.1327000000e-03  1.9056000000e-03  3.9100000000e-04 -4.0123000000e-03  1.3773000000e-03  4.6869000000e-03 -3.0727000000e-03  6.2820000000e-04 -3.2820000000e-03  1.0892000000e-03  1.7957000000e-03 -1.1003000000e-03  2.3990000000e-03 -2.6602000000e-03
-
-JOB 401
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8636000000e-02 -3.6031700000e-01 -8.8485300000e-01  4.3847800000e-01 -6.4729500000e-01  5.5224800000e-01  1.8817390000e+00  2.0864390000e+00 -7.7944000000e-02  2.4933120000e+00  1.5457050000e+00  4.2187400000e-01  1.0991060000e+00  1.5427590000e+00 -1.6810600000e-01
-ENERGY -1.526590294503e+02
-FORCES  3.6712000000e-03 -3.1874000000e-03 -7.4500000000e-05  1.0233000000e-03  3.1315000000e-03  5.0417000000e-03 -1.2734000000e-03  3.5827000000e-03 -3.3666000000e-03 -8.4114000000e-03 -1.1292800000e-02  2.8574000000e-03 -1.1984000000e-03  1.1199000000e-03 -1.2879000000e-03  6.1888000000e-03  6.6461000000e-03 -3.1701000000e-03
-
-JOB 402
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2707900000e-01  8.6211200000e-01  2.5693000000e-01  4.7755200000e-01  1.5745900000e-01 -8.1448300000e-01 -2.2288890000e+00 -1.3926590000e+00  6.9295800000e-01 -2.0183200000e+00 -1.6694860000e+00  1.5847310000e+00 -1.5158320000e+00 -8.0195600000e-01  4.5036100000e-01
-ENERGY -1.526585631883e+02
-FORCES -2.2319000000e-03 -1.5219000000e-03 -3.1635000000e-03 -8.9200000000e-04 -7.1790000000e-03 -1.2737000000e-03 -1.7805000000e-03  9.9510000000e-04  4.7673000000e-03  1.3619400000e-02  4.3697000000e-03 -2.7860000000e-03 -2.8120000000e-04  1.6066000000e-03 -2.4621000000e-03 -8.4337000000e-03  1.7296000000e-03  4.9180000000e-03
-
-JOB 403
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2165000000e-02 -9.5517900000e-01  5.3198000000e-02  9.6488000000e-02  1.9179200000e-01 -9.3281200000e-01 -1.4796410000e+00 -2.5103650000e+00 -1.9212060000e+00 -1.3742960000e+00 -2.9850790000e+00 -2.7456940000e+00 -1.0867390000e+00 -3.0831570000e+00 -1.2625940000e+00
-ENERGY -1.526548403374e+02
-FORCES -1.6023000000e-03 -4.0165000000e-03 -5.8454000000e-03  9.7700000000e-04  2.5101000000e-03  1.6922000000e-03  1.1424000000e-03  8.5110000000e-04  4.1810000000e-03  2.9710000000e-04 -5.7054000000e-03 -1.5004000000e-03 -3.8260000000e-04  2.3566000000e-03  3.7058000000e-03 -4.3170000000e-04  4.0041000000e-03 -2.2332000000e-03
-
-JOB 404
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0711500000e-01  2.0822800000e-01 -6.1062400000e-01  2.9671600000e-01 -8.7080800000e-01 -2.6435700000e-01  1.1495770000e+00 -2.3876500000e+00 -5.2400600000e-01  1.5092030000e+00 -2.2116160000e+00  3.4542700000e-01  1.8837100000e+00 -2.2434640000e+00 -1.1210740000e+00
-ENERGY -1.526594751783e+02
-FORCES  3.3246000000e-03 -1.4103900000e-02 -6.0914000000e-03  2.6174000000e-03 -1.5745000000e-03  8.6870000000e-04 -6.2480000000e-04  8.7613000000e-03  6.7856000000e-03  3.3658000000e-03  4.6465000000e-03  1.4133000000e-03 -4.5524000000e-03  2.5251000000e-03 -6.5260000000e-03 -4.1306000000e-03 -2.5450000000e-04  3.5498000000e-03
-
-JOB 405
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6011900000e-01  3.4660300000e-01  2.3726200000e-01 -4.8120000000e-03 -1.9614000000e-02 -9.5698700000e-01  2.5817810000e+00  8.2492800000e-01  4.1862800000e-01  2.6330390000e+00  1.5424750000e+00 -2.1282400000e-01  1.6634250000e+00  5.5554100000e-01  4.0175400000e-01
-ENERGY -1.526598643351e+02
-FORCES  9.7490000000e-04  2.1732000000e-03 -1.0611000000e-03  3.9901000000e-03 -1.8057000000e-03 -2.7502000000e-03  2.0880000000e-04  1.7430000000e-03  5.4230000000e-03 -1.3715500000e-02 -1.8127000000e-03 -1.8201000000e-03 -8.5590000000e-04 -2.4804000000e-03  1.0071000000e-03  9.3976000000e-03  2.1826000000e-03 -7.9870000000e-04
-
-JOB 406
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9811900000e-01  8.2284900000e-01  4.4710300000e-01  8.4667800000e-01 -3.0671100000e-01 -3.2449400000e-01  2.7534550000e+00 -2.7726400000e-01 -1.1065180000e+00  3.2514460000e+00 -1.0940330000e+00 -1.0729940000e+00  2.5117160000e+00 -1.8121500000e-01 -2.0276960000e+00
-ENERGY -1.526613481594e+02
-FORCES  1.0351200000e-02  1.5619000000e-03 -7.0350000000e-04 -1.5157000000e-03 -2.2072000000e-03 -1.2462000000e-03 -9.6174000000e-03 -2.1970000000e-04  1.2797000000e-03  3.3987000000e-03 -1.8785000000e-03 -4.2842000000e-03 -3.0673000000e-03  3.9751000000e-03 -5.7300000000e-04  4.5050000000e-04 -1.2316000000e-03  5.5272000000e-03
-
-JOB 407
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1469200000e-01 -4.2424200000e-01 -2.6930900000e-01 -5.5999000000e-01 -4.1822000000e-02 -7.7517300000e-01 -2.5329460000e+00 -4.9638200000e-01 -1.3793370000e+00 -3.1175850000e+00  1.8998000000e-01 -1.0578760000e+00 -2.8514470000e+00 -6.8937700000e-01 -2.2611210000e+00
-ENERGY -1.526597733352e+02
-FORCES -4.6287000000e-03 -3.3953000000e-03 -5.5780000000e-03 -3.1439000000e-03  1.1644000000e-03  1.6220000000e-04  8.3739000000e-03  3.0508000000e-03  4.0165000000e-03 -5.2173000000e-03  1.3734000000e-03 -1.9610000000e-04  2.8422000000e-03 -3.2860000000e-03 -2.6465000000e-03  1.7738000000e-03  1.0927000000e-03  4.2420000000e-03
-
-JOB 408
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4301800000e-01  8.2485200000e-01  4.2046900000e-01 -9.5552300000e-01 -2.3291000000e-02  5.1623000000e-02  1.1184280000e+00 -1.9313870000e+00  1.4100710000e+00  9.6549600000e-01 -1.1133550000e+00  9.3713600000e-01  1.6884140000e+00 -1.6845800000e+00  2.1383800000e+00
-ENERGY -1.526570677938e+02
-FORCES -2.8635000000e-03 -6.1100000000e-03  5.9872000000e-03  3.1840000000e-04 -6.8216000000e-03  2.0700000000e-05  4.7571000000e-03  2.4185000000e-03 -7.9810000000e-04 -6.5426000000e-03  1.1553000000e-02 -9.0986000000e-03  7.0585000000e-03 -3.2141000000e-03  7.2215000000e-03 -2.7279000000e-03  2.1742000000e-03 -3.3327000000e-03
-
-JOB 409
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5523200000e-01  8.7647000000e-01  1.4779300000e-01  7.5382800000e-01 -5.2095300000e-01 -2.7673600000e-01  2.1471670000e+00 -1.4929820000e+00 -7.9234100000e-01  2.6046600000e+00 -7.1269000000e-01 -1.1055140000e+00  2.2043550000e+00 -2.1127730000e+00 -1.5195420000e+00
-ENERGY -1.526581565593e+02
-FORCES  1.0786200000e-02 -8.0001000000e-03 -2.8258000000e-03  9.2310000000e-04 -3.4684000000e-03 -1.6336000000e-03 -4.2818000000e-03  9.7552000000e-03  1.6023000000e-03 -2.6067000000e-03  6.4390000000e-04 -3.4028000000e-03 -5.9619000000e-03 -2.7277000000e-03  2.8104000000e-03  1.1411000000e-03  3.7972000000e-03  3.4495000000e-03
-
-JOB 410
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4106200000e-01 -8.2577000000e-02 -1.5431900000e-01 -3.9666000000e-01 -6.4566000000e-01 -5.8482200000e-01 -1.5635880000e+00 -2.1397270000e+00 -1.2718110000e+00 -1.9557760000e+00 -2.1093040000e+00 -2.1444480000e+00 -2.2185120000e+00 -2.5793450000e+00 -7.2955300000e-01
-ENERGY -1.526616688276e+02
-FORCES -2.0520000000e-03 -7.0322000000e-03 -4.4992000000e-03 -3.1780000000e-03 -1.3380000000e-04 -1.5600000000e-05  6.0279000000e-03  7.8403000000e-03  3.4097000000e-03 -4.7338000000e-03 -1.6036000000e-03  7.4800000000e-04  1.6342000000e-03 -3.5640000000e-04  4.3054000000e-03  2.3017000000e-03  1.2856000000e-03 -3.9483000000e-03
-
-JOB 411
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8536300000e-01  6.5297800000e-01  6.7490100000e-01 -8.6009200000e-01 -3.4912200000e-01  2.3363800000e-01  9.9656400000e-01  4.7811400000e-01 -2.4114420000e+00  4.7058500000e-01  1.2019890000e+00 -2.7514170000e+00  6.5841300000e-01  3.2983200000e-01 -1.5283230000e+00
-ENERGY -1.526592601519e+02
-FORCES  6.6010000000e-04  1.3314000000e-03 -6.6656000000e-03 -2.2095000000e-03 -3.2577000000e-03 -3.8899000000e-03  4.3134000000e-03  3.0305000000e-03  5.9450000000e-04 -8.2648000000e-03 -2.1996000000e-03  1.4831000000e-02  8.6070000000e-04 -1.8369000000e-03  1.8895000000e-03  4.6401000000e-03  2.9324000000e-03 -6.7594000000e-03
-
-JOB 412
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9461600000e-01 -4.5189800000e-01 -5.9870800000e-01 -7.6850000000e-02 -5.8813700000e-01  7.5128000000e-01 -1.4619090000e+00 -3.3899220000e+00 -4.7428500000e-01 -1.5365110000e+00 -3.5595530000e+00  4.6480600000e-01 -5.7639700000e-01 -3.0440890000e+00 -5.8608600000e-01
-ENERGY -1.526520611534e+02
-FORCES  1.2991000000e-03 -3.3127000000e-03  4.5720000000e-04 -2.7642000000e-03  7.3020000000e-04  2.8909000000e-03  9.3190000000e-04  1.6677000000e-03 -3.3617000000e-03  2.4871000000e-03  9.2640000000e-04  2.9048000000e-03  7.6940000000e-04  1.1852000000e-03 -3.8862000000e-03 -2.7234000000e-03 -1.1968000000e-03  9.9500000000e-04
-
-JOB 413
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9352800000e-01 -3.9035400000e-01 -7.2130800000e-01 -2.5108500000e-01  8.6578800000e-01 -3.2186800000e-01 -2.6120290000e+00  2.0905130000e+00  8.6492100000e-01 -1.9816160000e+00  2.5053940000e+00  1.4537210000e+00 -3.4225780000e+00  2.5825280000e+00  9.9592900000e-01
-ENERGY -1.526552601420e+02
-FORCES -9.8750000000e-04  2.2366000000e-03 -4.5422000000e-03 -2.0306000000e-03  1.4780000000e-03  2.8441000000e-03  3.9531000000e-03 -3.5160000000e-03  1.5218000000e-03 -2.0998000000e-03  3.1802000000e-03  4.2489000000e-03 -2.2748000000e-03 -1.2914000000e-03 -3.7240000000e-03  3.4397000000e-03 -2.0873000000e-03 -3.4860000000e-04
-
-JOB 414
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0912400000e-01  2.6160000000e-01 -8.6731800000e-01 -3.5425700000e-01  6.6405300000e-01  5.9141100000e-01  2.4639290000e+00 -5.2770400000e-01  8.6199700000e-01  2.2314880000e+00 -2.0381000000e-01  1.7322250000e+00  1.7181520000e+00 -2.9086500000e-01  3.1067500000e-01
-ENERGY -1.526573938166e+02
-FORCES  4.2920000000e-03  1.3638000000e-03  2.9484000000e-03  2.3260000000e-03 -8.9410000000e-04  5.0867000000e-03  2.4856000000e-03 -3.4231000000e-03 -3.2090000000e-03 -1.7537400000e-02  3.5110000000e-03 -3.8410000000e-03  3.4020000000e-04 -1.7970000000e-04 -1.8861000000e-03  8.0937000000e-03 -3.7790000000e-04  9.0100000000e-04
-
-JOB 415
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6562800000e-01  7.5948800000e-01  5.5854900000e-01  5.5879000000e-01 -6.8888900000e-01  3.5974700000e-01  3.1196600000e-01  1.1025150000e+00 -2.5338690000e+00 -8.8726000000e-02  1.9705950000e+00 -2.4878850000e+00  2.7928300000e-01  7.7518700000e-01 -1.6349700000e+00
-ENERGY -1.526596608796e+02
-FORCES  2.9364000000e-03 -1.0427000000e-03  8.9270000000e-04 -2.9500000000e-04 -3.2181000000e-03 -5.4211000000e-03 -2.9560000000e-03  4.2394000000e-03 -8.5560000000e-04 -3.1725000000e-03 -4.7795000000e-03  1.1490500000e-02  1.3888000000e-03 -2.6950000000e-03  1.5726000000e-03  2.0982000000e-03  7.4960000000e-03 -7.6791000000e-03
-
-JOB 416
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2901400000e-01 -3.3118000000e-01  3.4537900000e-01  6.7106100000e-01 -4.6813700000e-01  4.9674700000e-01  5.7757400000e-01 -7.5353300000e-01 -2.5449410000e+00  1.3754930000e+00 -1.2095160000e+00 -2.8125920000e+00  6.1482100000e-01 -7.4598500000e-01 -1.5884950000e+00
-ENERGY -1.526564218108e+02
-FORCES -3.2916000000e-03 -1.6047000000e-03 -8.4500000000e-05  5.0178000000e-03  1.5602000000e-03 -1.1295000000e-03 -2.8882000000e-03  4.7800000000e-04 -7.4705000000e-03 -2.4252000000e-03  3.9122000000e-03  1.0971400000e-02 -2.4911000000e-03  1.8150000000e-03  3.8993000000e-03  6.0784000000e-03 -6.1607000000e-03 -6.1862000000e-03
-
-JOB 417
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9092100000e-01 -1.0896100000e-01 -5.2801800000e-01 -6.0972800000e-01  4.6372400000e-01 -5.7395500000e-01 -8.1952100000e-01 -6.3243400000e-01  2.3503660000e+00 -1.6071980000e+00 -1.3491000000e-01  2.5700610000e+00 -6.3826400000e-01 -4.0454200000e-01  1.4385310000e+00
-ENERGY -1.526559177686e+02
-FORCES -1.5363000000e-03 -4.4607000000e-03  1.2226600000e-02 -5.0957000000e-03  2.1656000000e-03  2.6180000000e-04  3.2195000000e-03 -2.4964000000e-03  3.6536000000e-03  6.8858000000e-03  5.0161000000e-03 -1.7233100000e-02  2.3259000000e-03 -4.7410000000e-04 -3.3579000000e-03 -5.7993000000e-03  2.4950000000e-04  4.4490000000e-03
-
-JOB 418
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1241000000e-01 -9.2527000000e-02  6.3256800000e-01  7.1053400000e-01 -5.3125500000e-01  3.5936200000e-01 -3.5073280000e+00 -6.3031500000e-01 -8.1944600000e-01 -3.0932850000e+00 -5.0020000000e-02 -1.4582390000e+00 -3.2245220000e+00 -1.5085430000e+00 -1.0743360000e+00
-ENERGY -1.526570164014e+02
-FORCES -5.0780000000e-04 -2.0982000000e-03  4.7698000000e-03  4.7475000000e-03  4.3240000000e-04 -2.5113000000e-03 -3.0538000000e-03  1.8704000000e-03 -1.4812000000e-03  3.2036000000e-03 -1.0930000000e-03 -5.1658000000e-03 -2.8156000000e-03 -2.3724000000e-03  2.8401000000e-03 -1.5739000000e-03  3.2608000000e-03  1.5485000000e-03
-
-JOB 419
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2768300000e-01 -2.6281500000e-01  6.7318300000e-01  8.1709600000e-01 -4.2970000000e-01  2.5287300000e-01  1.6670870000e+00  2.0453030000e+00  1.7498150000e+00  2.0395440000e+00  1.1663900000e+00  1.8206720000e+00  7.5520000000e-01  1.8999110000e+00  1.4977130000e+00
-ENERGY -1.526545369312e+02
-FORCES  1.1110000000e-03 -4.9018000000e-03  1.3198000000e-03  3.9220000000e-03  3.1465000000e-03 -2.2088000000e-03 -3.2954000000e-03  3.0548000000e-03  7.0700000000e-04 -4.3082000000e-03 -5.1919000000e-03 -4.2780000000e-03 -9.4740000000e-04  1.8268000000e-03 -3.0370000000e-04  3.5179000000e-03  2.0657000000e-03  4.7637000000e-03
-
-JOB 420
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5216800000e-01 -2.5004000000e-02  9.4772000000e-02 -2.7223600000e-01 -9.1500800000e-01  6.9858000000e-02  2.8486260000e+00 -1.9751600000e-01  5.7466000000e-02  2.9648700000e+00  5.5876200000e-01  6.3258600000e-01  3.2732050000e+00  5.6590000000e-02 -7.6192100000e-01
-ENERGY -1.526609300392e+02
-FORCES  1.1298300000e-02 -5.0127000000e-03 -1.4510000000e-04 -9.3054000000e-03  4.2924000000e-03  2.4525000000e-03  6.6610000000e-04  2.6528000000e-03 -3.4050000000e-04  2.6208000000e-03  3.0627000000e-03 -2.6775000000e-03 -3.5580000000e-03 -4.1541000000e-03 -4.0608000000e-03 -1.7219000000e-03 -8.4120000000e-04  4.7713000000e-03
-
-JOB 421
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3264000000e-02 -3.6946800000e-01  8.8271400000e-01  8.6028700000e-01 -2.4556300000e-01 -3.4034800000e-01  2.7864230000e+00 -3.1040200000e-01 -7.4910700000e-01  3.1332970000e+00 -5.5314000000e-01 -1.6075880000e+00  3.2767100000e+00 -8.5170500000e-01 -1.3036500000e-01
-ENERGY -1.526604748774e+02
-FORCES  1.0147500000e-02 -1.7343000000e-03 -6.6850000000e-04  7.0640000000e-04  8.3400000000e-04 -2.6020000000e-03 -9.9713000000e-03 -2.9820000000e-04  2.8121000000e-03  3.4975000000e-03 -1.8594000000e-03 -1.1173000000e-03 -1.2711000000e-03  7.6720000000e-04  4.7667000000e-03 -3.1091000000e-03  2.2907000000e-03 -3.1909000000e-03
-
-JOB 422
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1364400000e-01 -2.7830000000e-03  9.0435200000e-01  6.6967300000e-01  4.8245100000e-01 -4.8478000000e-01  1.1647910000e+00  2.1513760000e+00 -1.2506740000e+00  1.7655550000e+00  2.6070950000e+00 -1.8402790000e+00  4.5879800000e-01  2.7788370000e+00 -1.0954410000e+00
-ENERGY -1.526606476519e+02
-FORCES  7.4151000000e-03  7.4329000000e-03 -3.3289000000e-03 -9.4380000000e-04  7.0960000000e-04 -2.8435000000e-03 -4.0006000000e-03 -6.2101000000e-03  4.2959000000e-03 -3.8084000000e-03  5.2370000000e-04  5.4550000000e-04 -3.5900000000e-03 -1.0224000000e-03  2.9286000000e-03  4.9277000000e-03 -1.4338000000e-03 -1.5977000000e-03
-
-JOB 423
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5110000000e-02 -3.6248900000e-01  8.8475900000e-01  6.3489800000e-01  7.1338000000e-01  6.5009000000e-02  1.8825240000e+00  1.9326940000e+00 -3.9480300000e-01  1.6752800000e+00  2.1601320000e+00 -1.3011990000e+00  2.2958410000e+00  2.7191240000e+00 -3.8532000000e-02
-ENERGY -1.526608104531e+02
-FORCES  9.2902000000e-03  8.1598000000e-03  1.4702000000e-03  9.3560000000e-04  2.0394000000e-03 -2.1184000000e-03 -7.0909000000e-03 -6.5581000000e-03 -7.6300000000e-04 -2.8052000000e-03 -8.6600000000e-05 -1.1431000000e-03  1.2534000000e-03 -2.6240000000e-04  5.5091000000e-03 -1.5832000000e-03 -3.2921000000e-03 -2.9548000000e-03
-
-JOB 424
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9308000000e-01  7.4808400000e-01 -6.9705000000e-02 -2.6476900000e-01 -4.4180400000e-01  8.0680800000e-01  2.7301930000e+00  1.1685110000e+00  1.0145150000e+00  3.6206610000e+00  9.9801400000e-01  1.3214820000e+00  2.3585670000e+00  2.9973900000e-01  8.6167300000e-01
-ENERGY -1.526568905473e+02
-FORCES -4.8790000000e-03  4.2073000000e-03  2.1347000000e-03  1.1956000000e-03 -4.1332000000e-03  1.1660000000e-04  2.8961000000e-03  1.5752000000e-03 -3.2905000000e-03 -4.5170000000e-04 -4.5586000000e-03 -1.6587000000e-03 -3.9936000000e-03  1.7460000000e-04 -1.2758000000e-03  5.2326000000e-03  2.7347000000e-03  3.9737000000e-03
-
-JOB 425
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5207000000e-01  5.2526000000e-02 -5.8979900000e-01 -5.1086800000e-01  7.8639500000e-01 -1.9190800000e-01  1.6586210000e+00  2.7532640000e+00  5.7297300000e-01  9.3641500000e-01  3.2699130000e+00  9.3035600000e-01  1.8420710000e+00  2.0988350000e+00  1.2469920000e+00
-ENERGY -1.526567994756e+02
-FORCES  2.3835000000e-03  6.1010000000e-03 -4.5477000000e-03 -2.9323000000e-03 -2.2402000000e-03  2.5351000000e-03  1.3640000000e-04 -3.6019000000e-03  1.4984000000e-03 -2.2451000000e-03 -1.7635000000e-03  5.7061000000e-03  2.3384000000e-03 -2.3050000000e-03 -2.1511000000e-03  3.1900000000e-04  3.8097000000e-03 -3.0409000000e-03
-
-JOB 426
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8505800000e-01 -7.9313200000e-01  2.2779800000e-01 -6.6173900000e-01 -2.9476700000e-01 -6.2565600000e-01 -2.7622840000e+00 -1.0535250000e+00  1.6392880000e+00 -2.9026370000e+00 -2.6976700000e-01  1.1080100000e+00 -3.5327190000e+00 -1.5968700000e+00  1.4736450000e+00
-ENERGY -1.526545037507e+02
-FORCES -1.1524000000e-03 -6.5818000000e-03  3.4730000000e-04 -6.8540000000e-04  3.5228000000e-03 -1.9452000000e-03  1.8895000000e-03  2.4808000000e-03  1.8645000000e-03 -3.2911000000e-03  2.7637000000e-03 -1.6234000000e-03 -6.3440000000e-04 -4.3065000000e-03  1.2046000000e-03  3.8739000000e-03  2.1210000000e-03  1.5210000000e-04
-
-JOB 427
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1052200000e-01 -4.7697500000e-01  7.6961200000e-01 -3.1605300000e-01 -5.1285900000e-01 -7.4385300000e-01 -6.8297300000e-01 -1.0846820000e+00 -2.5037390000e+00 -1.4714520000e+00 -7.1114100000e-01 -2.8974390000e+00  3.9607000000e-02 -6.8217600000e-01 -2.9855050000e+00
-ENERGY -1.526620001501e+02
-FORCES -3.9718000000e-03 -6.5553000000e-03 -8.2293000000e-03  1.1790000000e-04  8.3290000000e-04 -3.3049000000e-03  3.6899000000e-03  4.8270000000e-03  9.6202000000e-03  3.6160000000e-04  4.4055000000e-03 -2.6312000000e-03  4.2624000000e-03 -1.7228000000e-03  1.6918000000e-03 -4.4600000000e-03 -1.7872000000e-03  2.8534000000e-03
-
-JOB 428
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9020000000e-02  5.6071600000e-01  7.7422600000e-01 -6.5270900000e-01 -6.6306400000e-01  2.2483200000e-01 -1.0128500000e+00 -1.9202460000e+00 -2.2367680000e+00 -6.3550700000e-01 -2.3451480000e+00 -3.0070300000e+00 -1.8199120000e+00 -2.4057820000e+00 -2.0660710000e+00
-ENERGY -1.526534498219e+02
-FORCES -3.3003000000e-03 -2.3805000000e-03  2.0286000000e-03 -2.5710000000e-04 -2.4015000000e-03 -3.6518000000e-03  2.1572000000e-03  3.6904000000e-03  2.0591000000e-03 -2.0270000000e-04 -3.2266000000e-03 -4.3341000000e-03 -2.1109000000e-03  1.6444000000e-03  3.0739000000e-03  3.7138000000e-03  2.6739000000e-03  8.2410000000e-04
-
-JOB 429
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9962800000e-01 -8.3856500000e-01  3.5108900000e-01 -2.3957900000e-01  6.4011600000e-01  6.7013900000e-01  6.9873700000e-01  8.5799000000e-01 -2.6207220000e+00  3.9859500000e-01  7.8906300000e-01 -1.7144130000e+00  5.7295200000e-01  1.7798240000e+00 -2.8457340000e+00
-ENERGY -1.526600260493e+02
-FORCES -1.3048000000e-03 -3.3337000000e-03  8.9840000000e-04  1.0739000000e-03  4.5800000000e-03  5.2090000000e-04  9.3260000000e-04 -2.7286000000e-03 -4.0269000000e-03 -2.7704000000e-03 -1.5630000000e-03  8.4015000000e-03  2.1163000000e-03  5.9068000000e-03 -8.0840000000e-03 -4.7600000000e-05 -2.8614000000e-03  2.2901000000e-03
-
-JOB 430
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9620800000e-01 -7.2992300000e-01  4.7588100000e-01 -3.8392600000e-01 -4.7702000000e-02 -8.7553300000e-01 -1.4044660000e+00 -2.1449060000e+00  1.1271910000e+00 -2.3344680000e+00 -2.1844240000e+00  9.0410600000e-01 -1.3249370000e+00 -2.6761250000e+00  1.9194740000e+00
-ENERGY -1.526607072817e+02
-FORCES -6.4576000000e-03 -1.0201000000e-02  2.8551000000e-03  4.3639000000e-03  7.1417000000e-03 -3.7170000000e-03  3.4340000000e-04  2.5400000000e-04  2.5086000000e-03 -9.4400000000e-04  1.2582000000e-03  9.5030000000e-04  4.5555000000e-03 -5.9170000000e-04  1.3448000000e-03 -1.8612000000e-03  2.1388000000e-03 -3.9417000000e-03
-
-JOB 431
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8270000000e-03 -1.7968300000e-01 -9.4015900000e-01  9.1570100000e-01  1.7415200000e-01  2.1770300000e-01 -1.7812170000e+00 -2.4506490000e+00 -1.5541730000e+00 -2.6281570000e+00 -2.7667530000e+00 -1.2395270000e+00 -1.3861850000e+00 -3.2095730000e+00 -1.9833770000e+00
-ENERGY -1.526550160435e+02
-FORCES  2.0498000000e-03 -1.6374000000e-03 -4.1114000000e-03  2.2419000000e-03  3.0702000000e-03  4.0256000000e-03 -3.5648000000e-03 -1.0128000000e-03 -8.3890000000e-04 -2.8815000000e-03 -4.6582000000e-03  1.2373000000e-03  3.4027000000e-03  7.1390000000e-04 -1.9030000000e-03 -1.2479000000e-03  3.5244000000e-03  1.5904000000e-03
-
-JOB 432
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6524400000e-01  5.5744900000e-01  6.2372300000e-01  3.6680000000e-03 -8.6758600000e-01  4.0436700000e-01  1.0342280000e+00  4.6823100000e-01 -2.5788590000e+00  7.8347400000e-01  3.0174500000e-01 -1.6702130000e+00  6.2898000000e-01 -2.4372900000e-01 -3.0739530000e+00
-ENERGY -1.526608078627e+02
-FORCES  1.6857000000e-03 -1.1043000000e-03  2.0925000000e-03 -1.7837000000e-03 -3.6497000000e-03 -4.0078000000e-03  9.1200000000e-05  4.6519000000e-03 -1.7788000000e-03 -6.9224000000e-03 -4.4119000000e-03  1.0222500000e-02  5.6121000000e-03  2.9927000000e-03 -8.0292000000e-03  1.3170000000e-03  1.5214000000e-03  1.5007000000e-03
-
-JOB 433
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1075100000e-01  7.7218000000e-02  2.8425600000e-01  4.5438000000e-02  5.1841600000e-01 -8.0337500000e-01  1.1931470000e+00  1.4655800000e+00 -2.0415730000e+00  7.3742500000e-01  2.2905410000e+00 -1.8742750000e+00  7.1473100000e-01  1.0706690000e+00 -2.7705410000e+00
-ENERGY -1.526554830130e+02
-FORCES  4.1528000000e-03  5.4794000000e-03 -7.3037000000e-03  3.7385000000e-03  1.5434000000e-03 -2.9674000000e-03 -8.5207000000e-03 -3.5101000000e-03  3.9950000000e-03  3.0210000000e-04  2.3268000000e-03 -1.7561000000e-03  1.7650000000e-04 -6.8925000000e-03  5.2460000000e-04  1.5080000000e-04  1.0530000000e-03  7.5077000000e-03
-
-JOB 434
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6838900000e-01 -7.9098000000e-02 -5.6529000000e-01 -5.9363300000e-01 -6.8637200000e-01 -3.0450700000e-01 -1.1430820000e+00  2.4854320000e+00 -1.0429550000e+00 -2.0627140000e+00  2.5134600000e+00 -7.7890000000e-01 -7.8595200000e-01  1.7226440000e+00 -5.8815500000e-01
-ENERGY -1.526614447113e+02
-FORCES  1.6873000000e-03 -4.5033000000e-03 -3.8066000000e-03 -4.7224000000e-03  6.8790000000e-04  2.7037000000e-03  2.6833000000e-03  4.1320000000e-03  1.3214000000e-03  1.5280000000e-03 -8.1399000000e-03  6.0573000000e-03  2.7884000000e-03 -1.0009000000e-03 -8.7510000000e-04 -3.9646000000e-03  8.8242000000e-03 -5.4006000000e-03
-
-JOB 435
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1754700000e-01 -1.1622000000e-02  9.0291800000e-01  8.1685000000e-02  9.1428400000e-01 -2.7137500000e-01  1.4446590000e+00 -1.6201900000e+00 -1.6114580000e+00  8.0344800000e-01 -2.3302790000e+00 -1.5822550000e+00  1.0636140000e+00 -9.3026500000e-01 -1.0682820000e+00
-ENERGY -1.526598828999e+02
-FORCES  2.9420000000e-03 -8.9170000000e-04 -3.0980000000e-04 -1.2974000000e-03  4.0890000000e-04 -5.5329000000e-03  1.2506000000e-03 -5.9612000000e-03  1.3327000000e-03 -1.2010300000e-02  8.0531000000e-03  1.0201100000e-02  2.0509000000e-03  1.1482000000e-03 -6.3000000000e-05  7.0642000000e-03 -2.7573000000e-03 -5.6280000000e-03
-
-JOB 436
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1426200000e-01 -6.3003300000e-01 -9.5496000000e-02 -2.6653000000e-01  7.4782400000e-01 -5.3474600000e-01 -1.8388250000e+00 -2.1401170000e+00 -2.7894500000e-01 -2.4075580000e+00 -2.1612820000e+00  4.9068200000e-01 -2.4342680000e+00 -2.2490760000e+00 -1.0204340000e+00
-ENERGY -1.526607889827e+02
-FORCES -7.9102000000e-03 -7.2668000000e-03 -3.2264000000e-03  5.5634000000e-03  9.0865000000e-03  2.8691000000e-03 -1.1700000000e-05 -2.8788000000e-03  1.2627000000e-03 -2.9776000000e-03 -1.0294000000e-03 -5.4090000000e-04  2.9851000000e-03  1.2410000000e-03 -4.6868000000e-03  2.3510000000e-03  8.4750000000e-04  4.3224000000e-03
-
-JOB 437
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7415100000e-01 -3.3844200000e-01  1.9377400000e-01  1.3480000000e-03  8.8751100000e-01  3.5854600000e-01  2.6358610000e+00 -1.1120890000e+00  7.7299300000e-01  2.3422590000e+00 -1.7169010000e+00  1.4543390000e+00  2.8918030000e+00 -1.6774770000e+00  4.4253000000e-02
-ENERGY -1.526618771462e+02
-FORCES  9.6421000000e-03  1.3520000000e-04  3.3807000000e-03 -1.0232800000e-02  1.8742000000e-03 -2.9905000000e-03 -8.6000000000e-05 -2.8295000000e-03 -8.5460000000e-04  2.3538000000e-03 -5.6699000000e-03  8.8450000000e-04  8.0550000000e-04  3.4687000000e-03 -4.3057000000e-03 -2.4826000000e-03  3.0212000000e-03  3.8856000000e-03
-
-JOB 438
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3691700000e-01  1.2149100000e-01 -1.5381300000e-01 -4.0273200000e-01  8.0603700000e-01 -3.2302000000e-01  9.9581300000e-01 -3.7381000000e-01 -3.0661710000e+00  1.7587500000e+00  1.5344200000e-01 -2.8291840000e+00  1.0994900000e+00 -1.1839070000e+00 -2.5669460000e+00
-ENERGY -1.526534927532e+02
-FORCES  1.1893000000e-03  4.7308000000e-03 -5.3424000000e-03 -2.3101000000e-03 -1.4417000000e-03  5.9060000000e-04  1.6109000000e-03 -2.6191000000e-03  3.0864000000e-03  1.8143000000e-03 -2.7055000000e-03  3.8880000000e-03 -3.6456000000e-03 -1.5997000000e-03  6.1560000000e-04  1.3413000000e-03  3.6351000000e-03 -2.8382000000e-03
-
-JOB 439
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.8777000000e-02  3.2629700000e-01 -8.9443000000e-01  8.8379300000e-01 -3.6673500000e-01  2.5438000000e-02 -1.6122160000e+00  1.4052100000e-01  3.1712130000e+00 -1.7519050000e+00  8.4110700000e-01  2.5341120000e+00 -9.2998600000e-01  4.7701500000e-01  3.7522180000e+00
-ENERGY -1.526545392298e+02
-FORCES  3.7729000000e-03 -1.7192000000e-03 -3.4906000000e-03  1.0450000000e-04 -1.0717000000e-03  4.1280000000e-03 -3.4810000000e-03  1.9321000000e-03 -4.4030000000e-04  3.1802000000e-03  3.9845000000e-03 -2.8484000000e-03 -1.0059000000e-03 -1.6914000000e-03  4.4060000000e-03 -2.5708000000e-03 -1.4342000000e-03 -1.7548000000e-03
-
-JOB 440
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8523400000e-01 -2.7812200000e-01  4.7147400000e-01  4.9705100000e-01 -8.0676200000e-01 -1.3530300000e-01  1.3303060000e+00  2.1087050000e+00  8.5228000000e-01  1.0456840000e+00  2.3929770000e+00  1.7208490000e+00  8.0885200000e-01  1.3262870000e+00  6.7300500000e-01
-ENERGY -1.526587470740e+02
-FORCES  4.4892000000e-03  3.5495000000e-03  2.9487000000e-03  5.2021000000e-03  1.5174000000e-03 -1.5442000000e-03 -3.8369000000e-03  3.8788000000e-03  1.3483000000e-03 -9.4175000000e-03 -1.3987100000e-02 -4.9481000000e-03 -8.6800000000e-04 -2.6109000000e-03 -2.7129000000e-03  4.4312000000e-03  7.6523000000e-03  4.9082000000e-03
-
-JOB 441
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3103600000e-01  8.2784100000e-01 -3.4832000000e-01  5.1541000000e-01 -6.7156400000e-01 -4.4675100000e-01 -1.2926580000e+00  1.8309270000e+00 -2.0741490000e+00 -1.6575670000e+00  2.2281710000e+00 -1.2834080000e+00 -1.5529940000e+00  9.1124300000e-01 -2.0227750000e+00
-ENERGY -1.526582331483e+02
-FORCES  4.3348000000e-03  2.7891000000e-03 -4.5796000000e-03 -1.2461000000e-03 -4.2363000000e-03  3.9851000000e-03 -2.8300000000e-03  2.6122000000e-03  1.2403000000e-03 -4.2986000000e-03 -4.8570000000e-03  5.1117000000e-03  2.9491000000e-03 -6.8650000000e-04 -3.1659000000e-03  1.0908000000e-03  4.3784000000e-03 -2.5917000000e-03
-
-JOB 442
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6592300000e-01  3.5536100000e-01 -6.8533300000e-01 -7.8623300000e-01 -2.8837600000e-01 -4.6358300000e-01 -2.5364610000e+00 -4.4190400000e-01 -7.7512500000e-01 -2.7935120000e+00 -1.3022890000e+00 -1.1066280000e+00 -3.2143210000e+00 -2.1809200000e-01 -1.3743600000e-01
-ENERGY -1.526599105619e+02
-FORCES -1.3024000000e-02 -1.1526000000e-03 -5.3133000000e-03 -3.1228000000e-03 -1.5480000000e-03  1.0350000000e-03  1.0101500000e-02 -6.2100000000e-04  5.5310000000e-04  2.1967000000e-03  1.3994000000e-03  5.8475000000e-03  2.2307000000e-03  4.4337000000e-03  2.2001000000e-03  1.6181000000e-03 -2.5115000000e-03 -4.3225000000e-03
-
-JOB 443
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4615900000e-01  4.7415200000e-01  7.9424000000e-01 -6.8425900000e-01  5.3794100000e-01 -3.9829800000e-01 -2.2483930000e+00 -6.7825900000e-01  3.2342290000e+00 -1.6033400000e+00 -1.3809840000e+00  3.1547600000e+00 -2.9328780000e+00 -1.0431060000e+00  3.7951200000e+00
-ENERGY -1.526555361226e+02
-FORCES -2.9608000000e-03  4.6187000000e-03  2.0983000000e-03 -7.5600000000e-05 -2.2876000000e-03 -3.4658000000e-03  3.2260000000e-03 -1.9941000000e-03  8.5700000000e-04 -3.2820000000e-04 -5.0252000000e-03  1.5747000000e-03 -2.6296000000e-03  3.2460000000e-03  1.2503000000e-03  2.7681000000e-03  1.4422000000e-03 -2.3146000000e-03
-
-JOB 444
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3479000000e-01 -8.4473500000e-01  3.0094900000e-01 -2.2000300000e-01 -1.4319700000e-01 -9.2050200000e-01  2.2131490000e+00  1.6128030000e+00  1.7066100000e-01  1.3675450000e+00  1.2916030000e+00 -1.4241600000e-01  2.3519580000e+00  2.4296770000e+00 -3.0858800000e-01
-ENERGY -1.526593309045e+02
-FORCES  4.1832000000e-03 -4.3932000000e-03  1.1984000000e-03 -2.9491000000e-03  3.6375000000e-03 -2.5126000000e-03  3.2812000000e-03  2.7831000000e-03  4.4849000000e-03 -1.0166700000e-02 -5.1306000000e-03 -3.8780000000e-04  8.2931000000e-03  6.7375000000e-03 -3.2739000000e-03 -2.6417000000e-03 -3.6343000000e-03  4.9100000000e-04
-
-JOB 445
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0311100000e-01  1.1814200000e-01 -2.9438800000e-01  2.8372700000e-01 -8.1371800000e-01 -4.1664500000e-01  2.6288340000e+00  2.2591370000e+00  1.1687000000e+00  2.4599110000e+00  3.0715580000e+00  6.9155300000e-01  1.7642630000e+00  1.9650870000e+00  1.4555500000e+00
-ENERGY -1.526563213766e+02
-FORCES -1.8719000000e-03 -4.0869000000e-03 -3.7538000000e-03  3.8823000000e-03 -1.7380000000e-04  1.3017000000e-03 -2.0067000000e-03  3.2010000000e-03  1.5968000000e-03 -5.7270000000e-03  3.7270000000e-04 -1.7504000000e-03  9.3850000000e-04 -2.6148000000e-03  1.9252000000e-03  4.7848000000e-03  3.3018000000e-03  6.8060000000e-04
-
-JOB 446
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3413000000e-02 -4.2479000000e-01  8.5767500000e-01 -3.5914200000e-01 -6.5541300000e-01 -5.9806500000e-01 -1.4828250000e+00 -2.0754380000e+00 -1.3909530000e+00 -2.3643090000e+00 -1.7056230000e+00 -1.3414070000e+00 -1.4540740000e+00 -2.5141590000e+00 -2.2412050000e+00
-ENERGY -1.526616846423e+02
-FORCES -3.5704000000e-03 -9.5330000000e-03 -2.7740000000e-03 -2.4540000000e-04  1.7460000000e-03 -2.2225000000e-03  3.2136000000e-03  8.0003000000e-03  4.5660000000e-03 -3.0751000000e-03 -4.9210000000e-04 -3.0527000000e-03  4.9589000000e-03 -1.8860000000e-03 -5.6370000000e-04 -1.2815000000e-03  2.1648000000e-03  4.0469000000e-03
-
-JOB 447
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3739300000e-01  5.6339300000e-01  6.3836400000e-01  8.7222900000e-01  3.8163100000e-01 -9.9030000000e-02 -2.2181890000e+00  3.7063600000e-01  2.4294280000e+00 -2.5177480000e+00  5.3260200000e-01  3.3240030000e+00 -2.7128460000e+00 -3.9835200000e-01  2.1462270000e+00
-ENERGY -1.526589927052e+02
-FORCES  3.2280000000e-04  3.9976000000e-03  4.0241000000e-03  4.3544000000e-03 -2.1748000000e-03 -6.2076000000e-03 -3.1400000000e-03 -1.2467000000e-03  5.1980000000e-04 -3.9853000000e-03 -3.3169000000e-03  3.4279000000e-03  8.2550000000e-04 -1.1015000000e-03 -3.6659000000e-03  1.6226000000e-03  3.8423000000e-03  1.9017000000e-03
-
-JOB 448
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5628000000e-02  9.5473800000e-01 -6.3646000000e-02 -8.0502600000e-01 -2.9078000000e-01 -4.2850000000e-01 -1.4535760000e+00  1.5702100000e-01  2.3721460000e+00 -1.2819460000e+00 -1.5310700000e-01  1.4829910000e+00 -2.3567210000e+00 -1.0675500000e-01  2.5481710000e+00
-ENERGY -1.526548398957e+02
-FORCES -1.0683000000e-03  5.8369000000e-03 -5.5480000000e-04 -5.2390000000e-04 -5.6800000000e-03 -1.9330000000e-04  1.6154000000e-03  1.1022000000e-03  8.7677000000e-03  5.0771000000e-03 -2.6570000000e-03 -6.9236000000e-03 -9.0369000000e-03  8.9660000000e-04  2.2498000000e-03  3.9365000000e-03  5.0120000000e-04 -3.3458000000e-03
-
-JOB 449
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6577900000e-01  9.7784000000e-02 -8.7913300000e-01  7.0665000000e-02  8.7230100000e-01  3.8772400000e-01  3.7650800000e-01  5.5740900000e-01  3.2534850000e+00 -2.9706500000e-01  7.9180000000e-03  2.8527470000e+00  1.1840970000e+00  3.1651400000e-01  2.7996110000e+00
-ENERGY -1.526580475373e+02
-FORCES  9.3860000000e-04  4.4051000000e-03 -3.3673000000e-03 -1.2110000000e-03  4.0100000000e-05  3.9438000000e-03  1.6570000000e-04 -5.1838000000e-03 -2.1292000000e-03  6.2750000000e-04 -6.1202000000e-03 -3.1541000000e-03  2.3173000000e-03  4.0305000000e-03  2.5939000000e-03 -2.8381000000e-03  2.8283000000e-03  2.1129000000e-03
-
-JOB 450
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7688000000e-01 -3.3491200000e-01  5.8813300000e-01 -3.4296400000e-01 -1.6371100000e-01 -8.7852500000e-01  2.6867840000e+00 -1.6534640000e+00  6.3250300000e-01  2.2766010000e+00 -1.6069160000e+00  1.4961090000e+00  3.4681660000e+00 -2.1898480000e+00  7.6654700000e-01
-ENERGY -1.526525921023e+02
-FORCES -2.9438000000e-03 -2.9917000000e-03 -2.9969000000e-03  3.5160000000e-03  1.1681000000e-03 -1.5178000000e-03  6.1480000000e-04  1.2863000000e-03  3.6153000000e-03  8.6000000000e-06 -4.0670000000e-04  4.7155000000e-03  2.4147000000e-03 -1.4962000000e-03 -2.6490000000e-03 -3.6103000000e-03  2.4403000000e-03 -1.1672000000e-03
-
-JOB 451
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9798500000e-01 -3.2138600000e-01  8.1031000000e-02  2.1784400000e-01 -1.2673600000e-01 -9.2342500000e-01  4.3576400000e-01 -2.7469240000e+00  2.3009900000e-01  1.8896300000e-01 -3.1167680000e+00  1.0777650000e+00  4.8668500000e-01 -1.8037850000e+00  3.8542700000e-01
-ENERGY -1.526597643676e+02
-FORCES -4.2381000000e-03 -2.8397000000e-03 -5.9052000000e-03  6.3176000000e-03 -2.8690000000e-04  1.2992000000e-03 -4.6590000000e-04 -5.7480000000e-04  6.1149000000e-03  6.9480000000e-04  1.1002400000e-02  3.0832000000e-03 -1.8140000000e-04  2.8661000000e-03 -2.7329000000e-03 -2.1270000000e-03 -1.0167200000e-02 -1.8592000000e-03
-
-JOB 452
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3387700000e-01 -8.8196500000e-01 -1.6399900000e-01  7.7648600000e-01  5.1260300000e-01  2.2480800000e-01  1.1844150000e+00 -2.5032730000e+00 -6.1818000000e-02  9.4400200000e-01 -3.4296170000e+00 -7.9721000000e-02  1.6985360000e+00 -2.4042080000e+00  7.3949300000e-01
-ENERGY -1.526598659360e+02
-FORCES  6.3964000000e-03 -1.0606100000e-02 -1.8051000000e-03 -2.0035000000e-03  9.0920000000e-03  1.8975000000e-03 -1.7508000000e-03 -2.5613000000e-03  2.5960000000e-04 -2.2598000000e-03 -1.2450000000e-04  2.8567000000e-03  2.4109000000e-03  4.0537000000e-03  1.2624000000e-03 -2.7931000000e-03  1.4630000000e-04 -4.4711000000e-03
-
-JOB 453
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0586800000e-01  1.0767200000e-01 -2.8990100000e-01 -1.2651000000e-02  2.4861400000e-01  9.2426300000e-01  1.9407000000e-01  9.9990300000e-01  3.1116590000e+00  8.3625400000e-01  1.6698050000e+00  2.8770020000e+00  6.7077800000e-01  1.7335000000e-01  3.0355480000e+00
-ENERGY -1.526586498485e+02
-FORCES -5.1432000000e-03  2.9387000000e-03  4.5870000000e-03  3.4205000000e-03 -5.0820000000e-04  6.1500000000e-04  3.2046000000e-03 -4.1765000000e-03 -6.2618000000e-03  6.1897000000e-03  1.0982000000e-03  3.7068000000e-03 -3.6860000000e-03 -3.9436000000e-03  3.6140000000e-04 -3.9856000000e-03  4.5914000000e-03 -3.0084000000e-03
-
-JOB 454
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7779100000e-01  4.5229000000e-02  9.1488700000e-01 -4.7536900000e-01  7.1055000000e-01 -4.3055200000e-01 -6.1034000000e-01 -1.4170370000e+00  2.4382110000e+00 -1.1755950000e+00 -1.4560140000e+00  3.2097030000e+00 -5.0785900000e-01 -2.3299880000e+00  2.1694180000e+00
-ENERGY -1.526597949402e+02
-FORCES -3.2701000000e-03 -6.2390000000e-04  6.3760000000e-03  1.8654000000e-03  4.9863000000e-03 -7.5336000000e-03  1.0316000000e-03 -2.5505000000e-03  2.4328000000e-03 -6.5010000000e-04 -5.2638000000e-03 -8.0260000000e-04  2.1859000000e-03  3.4000000000e-05 -3.7495000000e-03 -1.1626000000e-03  3.4180000000e-03  3.2769000000e-03
-
-JOB 455
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8778700000e-01  1.2307500000e-01  9.0457900000e-01 -8.0865000000e-01  6.6950000000e-03 -5.1212600000e-01 -1.9563700000e-01 -2.1689250000e+00 -2.4318620000e+00 -2.1668100000e-01 -2.9676680000e+00 -2.9589290000e+00  7.0664800000e-01 -1.8575890000e+00 -2.5038620000e+00
-ENERGY -1.526564222627e+02
-FORCES -5.3995000000e-03 -1.1928000000e-03  6.3330000000e-04  9.9270000000e-04 -4.7210000000e-04 -3.4612000000e-03  3.4044000000e-03  2.3457000000e-03  3.4251000000e-03  4.8784000000e-03 -1.8301000000e-03 -1.4130000000e-03  2.4180000000e-04  3.1566000000e-03  2.3765000000e-03 -4.1178000000e-03 -2.0072000000e-03 -1.5607000000e-03
-
-JOB 456
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8970000000e-01  3.7963300000e-01 -5.4444900000e-01  2.9832900000e-01  1.4143000000e-01  8.9845900000e-01  1.1904030000e+00  4.6788000000e-01 -2.4365300000e+00  2.1003860000e+00  1.7112400000e-01 -2.4265990000e+00  7.9738700000e-01  1.1909000000e-02 -3.1807480000e+00
-ENERGY -1.526581370210e+02
-FORCES  4.1363000000e-03  2.9838000000e-03 -7.9104000000e-03 -2.1040000000e-04 -1.2787000000e-03  9.8018000000e-03  8.8210000000e-04 -7.5200000000e-05 -4.6333000000e-03 -3.6312000000e-03 -5.4847000000e-03 -1.3068000000e-03 -4.8158000000e-03  1.4780000000e-03  2.1609000000e-03  3.6390000000e-03  2.3768000000e-03  1.8878000000e-03
-
-JOB 457
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8205900000e-01 -9.1071700000e-01  8.5262000000e-02  8.1460000000e-01  4.9846700000e-01 -6.4726000000e-02  1.8637010000e+00  1.9598460000e+00  1.6152200000e-01  2.5095990000e+00  2.5859140000e+00 -1.6571800000e-01  1.6524440000e+00  2.2709660000e+00  1.0417540000e+00
-ENERGY -1.526605130595e+02
-FORCES  9.0495000000e-03  6.1631000000e-03 -1.2717000000e-03  4.4550000000e-04  3.5589000000e-03 -1.9180000000e-04 -6.0785000000e-03 -6.3754000000e-03  2.6969000000e-03 -2.8213000000e-03 -4.5880000000e-04  2.6350000000e-04 -2.9842000000e-03 -1.6815000000e-03  3.2644000000e-03  2.3890000000e-03 -1.2062000000e-03 -4.7612000000e-03
-
-JOB 458
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1121800000e-01  2.3246800000e-01  1.7852800000e-01 -2.1840000000e-03 -9.5570600000e-01 -5.3408000000e-02 -4.1717800000e-01  1.2624190000e+00 -2.4678210000e+00 -9.1229500000e-01  2.0299490000e+00 -2.1814840000e+00  9.3939000000e-02  1.0064150000e+00 -1.7000630000e+00
-ENERGY -1.526589665512e+02
-FORCES -5.8893000000e-03 -3.1805000000e-03 -3.5245000000e-03  4.7324000000e-03 -1.2000000000e-06 -9.5220000000e-04 -4.1870000000e-04  4.5035000000e-03  7.9790000000e-04  3.1848000000e-03 -2.8028000000e-03  1.0920900000e-02  8.0940000000e-04 -3.4109000000e-03  2.7800000000e-04 -2.4186000000e-03  4.8919000000e-03 -7.5202000000e-03
-
-JOB 459
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1186300000e-01 -4.2054500000e-01 -8.5256100000e-01  3.0245300000e-01  8.8437500000e-01 -2.0648100000e-01 -2.4312860000e+00  4.4180000000e-03  1.1363970000e+00 -1.5601710000e+00  1.1994000000e-02  7.3974300000e-01 -2.4037090000e+00 -7.1929100000e-01  1.7622700000e+00
-ENERGY -1.526605936299e+02
-FORCES -4.6696000000e-03  1.8430000000e-03 -6.7610000000e-04 -1.0870000000e-04  2.9907000000e-03  5.0405000000e-03 -2.3239000000e-03 -5.1799000000e-03  3.2240000000e-04  1.6558100000e-02 -1.3481000000e-03 -4.9886000000e-03 -1.0181700000e-02  1.3660000000e-04  2.6086000000e-03  7.2580000000e-04  1.5577000000e-03 -2.3069000000e-03
-
-JOB 460
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3753000000e-01 -2.1452900000e-01  4.1079500000e-01  1.9269200000e-01  7.5279700000e-01 -5.5892500000e-01 -2.1670800000e+00 -1.5662100000e+00  1.6524600000e+00 -2.6604230000e+00 -1.9455980000e+00  2.3797210000e+00 -1.7649830000e+00 -7.7912800000e-01  2.0199550000e+00
-ENERGY -1.526545264954e+02
-FORCES  4.7452000000e-03  1.2105000000e-03 -2.4699000000e-03 -4.0042000000e-03  1.5624000000e-03 -1.0183000000e-03 -9.2250000000e-04 -3.3949000000e-03  2.5569000000e-03  7.1440000000e-04  3.5197000000e-03  2.7384000000e-03  2.3585000000e-03  1.5985000000e-03 -3.2709000000e-03 -2.8914000000e-03 -4.4962000000e-03  1.4638000000e-03
-
-JOB 461
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5419100000e-01  3.6388600000e-01  7.5995400000e-01 -6.4516600000e-01  6.6660000000e-01 -2.3587500000e-01 -1.3722450000e+00  2.4343260000e+00 -5.9549900000e-01 -2.2635450000e+00  2.1127320000e+00 -4.5988000000e-01 -1.2926370000e+00  2.5276660000e+00 -1.5448050000e+00
-ENERGY -1.526593840974e+02
-FORCES -3.3851000000e-03  1.3029400000e-02  3.6460000000e-04 -9.5230000000e-04 -2.0312000000e-03 -1.7992000000e-03 -2.8420000000e-04 -9.5740000000e-03  3.7620000000e-04 -1.5143000000e-03  1.5767000000e-03 -3.8012000000e-03  7.0579000000e-03 -1.4314000000e-03 -5.6550000000e-04 -9.2200000000e-04 -1.5694000000e-03  5.4251000000e-03
-
-JOB 462
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0724100000e-01  6.8892500000e-01 -2.6994900000e-01 -1.6048000000e-01 -1.0754100000e-01  9.3750300000e-01  1.5228510000e+00  1.5224500000e+00  2.7986160000e+00  1.4745100000e+00  6.1054800000e-01  2.5116860000e+00  1.7516150000e+00  1.4702380000e+00  3.7266100000e+00
-ENERGY -1.526541235333e+02
-FORCES -4.1070000000e-03  4.4975000000e-03  2.2253000000e-03  2.0244000000e-03 -3.6022000000e-03  4.0280000000e-04  3.0144000000e-03 -8.1010000000e-04 -2.7702000000e-03  2.7916000000e-03 -3.6122000000e-03  2.3424000000e-03 -2.5905000000e-03  3.3288000000e-03  1.9828000000e-03 -1.1329000000e-03  1.9820000000e-04 -4.1830000000e-03
-
-JOB 463
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6259600000e-01 -8.8488700000e-01 -3.2675700000e-01 -2.4210600000e-01  5.7279300000e-01 -7.2768500000e-01 -3.7751790000e+00  5.6356600000e-01 -1.6114700000e-01 -3.3917540000e+00  6.9244900000e-01  7.0638200000e-01 -3.6233410000e+00 -3.6128300000e-01 -3.5565100000e-01
-ENERGY -1.526556851073e+02
-FORCES -1.0611000000e-03 -5.2900000000e-04 -5.2571000000e-03 -7.4000000000e-06  3.4292000000e-03  1.7243000000e-03  1.7378000000e-03 -2.8477000000e-03  3.2861000000e-03  2.6306000000e-03 -3.2906000000e-03  4.0328000000e-03 -2.7709000000e-03 -2.8330000000e-04 -3.7654000000e-03 -5.2900000000e-04  3.5214000000e-03 -2.0700000000e-05
-
-JOB 464
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8240900000e-01 -4.0476100000e-01  8.4801300000e-01 -2.0497200000e-01 -7.3517400000e-01 -5.7770000000e-01 -3.8771700000e-01 -2.3386350000e+00 -1.6601960000e+00  1.3616300000e-01 -2.6154110000e+00 -2.4119790000e+00 -1.2718560000e+00 -2.6483180000e+00 -1.8567340000e+00
-ENERGY -1.526618770248e+02
-FORCES -3.8080000000e-04 -9.7658000000e-03 -3.6895000000e-03 -6.7530000000e-04  1.2170000000e-03 -2.3505000000e-03 -3.1600000000e-05  8.0602000000e-03  5.8578000000e-03  3.4500000000e-05 -9.9800000000e-04 -3.5192000000e-03 -3.6180000000e-03  1.7130000000e-04  3.1351000000e-03  4.6712000000e-03  1.3153000000e-03  5.6630000000e-04
-
-JOB 465
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7012700000e-01 -2.6780000000e-03  9.1829000000e-01  8.2007700000e-01  4.8773000000e-02 -4.9125000000e-01 -3.3803800000e-01  2.7247790000e+00 -6.9103400000e-01  2.5424500000e-01  3.1285070000e+00 -5.6656000000e-02 -7.5555400000e-01  2.0109270000e+00 -2.0903000000e-01
-ENERGY -1.526567064399e+02
-FORCES  6.4356000000e-03  2.8395000000e-03 -2.6089000000e-03 -1.9206000000e-03  2.6676000000e-03 -4.3428000000e-03 -3.0566000000e-03 -1.8295000000e-03  3.6985000000e-03  5.4000000000e-04 -9.4680000000e-03  5.5980000000e-03 -1.2990000000e-03 -2.1706000000e-03 -2.1317000000e-03 -6.9940000000e-04  7.9609000000e-03 -2.1310000000e-04
-
-JOB 466
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4700000000e-01 -7.3828000000e-01 -5.5692500000e-01  9.5570700000e-01 -3.7389000000e-02  3.8174000000e-02  5.4620000000e-03 -1.1193410000e+00  2.3650200000e+00  8.2677400000e-01 -1.6018190000e+00  2.2707190000e+00 -6.4570000000e-02 -6.0522300000e-01  1.5606510000e+00
-ENERGY -1.526548186858e+02
-FORCES  1.3319000000e-03 -7.5935000000e-03  5.7333000000e-03  2.6109000000e-03  3.7083000000e-03  4.2878000000e-03 -6.5855000000e-03 -2.7515000000e-03  4.2419000000e-03 -4.6380000000e-04  9.2135000000e-03 -1.9350900000e-02 -1.9219000000e-03  2.4715000000e-03 -2.1073000000e-03  5.0286000000e-03 -5.0483000000e-03  7.1952000000e-03
-
-JOB 467
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2645200000e-01 -6.4068800000e-01 -4.7812000000e-01 -8.0356000000e-01 -4.6921200000e-01  2.2441800000e-01  1.6337790000e+00 -2.4934360000e+00  1.8264320000e+00  2.5570510000e+00 -2.5609290000e+00  2.0698390000e+00  1.6410960000e+00 -2.4353840000e+00  8.7102200000e-01
-ENERGY -1.526520715765e+02
-FORCES -1.6121000000e-03 -4.6087000000e-03  7.7750000000e-04 -9.7850000000e-04  1.2470000000e-03  2.1737000000e-03  3.2273000000e-03  2.2029000000e-03 -1.9378000000e-03  4.3508000000e-03  1.2347000000e-03 -2.2499000000e-03 -3.9664000000e-03  1.4030000000e-04 -1.1073000000e-03 -1.0212000000e-03 -2.1620000000e-04  2.3438000000e-03
-
-JOB 468
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3978700000e-01 -1.9702900000e-01  7.6553300000e-01 -8.9518800000e-01 -1.8616100000e-01  2.8322200000e-01  2.6404680000e+00  9.8042000000e-02 -2.2879310000e+00  2.9844160000e+00 -7.7158900000e-01 -2.0837900000e+00  2.8711740000e+00  6.3190800000e-01 -1.5276710000e+00
-ENERGY -1.526525729414e+02
-FORCES -2.3015000000e-03 -1.7319000000e-03  3.8544000000e-03 -1.3490000000e-03  1.0739000000e-03 -3.5827000000e-03  3.9346000000e-03  7.1190000000e-04 -1.3131000000e-03 -9.9400000000e-05 -1.2706000000e-03  4.8837000000e-03 -7.5380000000e-04  3.3939000000e-03 -8.4300000000e-04  5.6900000000e-04 -2.1771000000e-03 -2.9994000000e-03
-
-JOB 469
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7190700000e-01  3.3345600000e-01  2.1170100000e-01  5.8429700000e-01  7.4296200000e-01  1.5111700000e-01 -2.1719760000e+00  1.4829630000e+00  1.7944000000e-01 -2.2532500000e+00  2.0138490000e+00 -6.1288900000e-01 -2.7511290000e+00  7.3599300000e-01  2.8277000000e-02
-ENERGY -1.526551403523e+02
-FORCES -1.3873600000e-02  1.5725400000e-02  3.1311000000e-03 -1.1061000000e-03 -9.4370000000e-03 -6.2600000000e-04 -4.1060000000e-04 -1.9697000000e-03 -1.2567000000e-03  7.3836000000e-03 -3.7897000000e-03 -6.7038000000e-03 -5.1500000000e-04 -2.5138000000e-03  4.4549000000e-03  8.5219000000e-03  1.9848000000e-03  1.0004000000e-03
-
-JOB 470
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4558800000e-01 -2.4885600000e-01 -6.6145200000e-01 -2.4992400000e-01 -4.9773200000e-01  7.7848100000e-01  5.1400800000e-01 -2.1651320000e+00 -2.3425700000e+00 -2.8871100000e-01 -1.6472390000e+00 -2.4030730000e+00  6.0753500000e-01 -2.3546610000e+00 -1.4089950000e+00
-ENERGY -1.526514749835e+02
-FORCES -3.7108000000e-03 -1.2935000000e-03  4.8360000000e-04  2.8684000000e-03 -1.2618000000e-03  1.0995000000e-03  1.8319000000e-03  1.1883000000e-03 -4.4335000000e-03 -8.7990000000e-04  3.3819000000e-03  5.2419000000e-03  1.7361000000e-03 -8.1970000000e-04  1.8087000000e-03 -1.8457000000e-03 -1.1952000000e-03 -4.2000000000e-03
-
-JOB 471
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1571000000e-02  7.0023900000e-01 -6.5250500000e-01  7.9389000000e-01  1.6042300000e-01  5.1013200000e-01  1.3042600000e+00  3.2352890000e+00 -3.5569500000e-01  1.9493840000e+00  3.8147280000e+00 -7.6103200000e-01  1.4897480000e+00  2.3726940000e+00 -7.2684800000e-01
-ENERGY -1.526529035064e+02
-FORCES  1.1938000000e-03  4.1404000000e-03  1.2271000000e-03  3.1135000000e-03 -3.1214000000e-03  1.9435000000e-03 -2.7419000000e-03 -8.0800000000e-04 -3.8178000000e-03  4.5772000000e-03  7.5710000000e-04 -3.5592000000e-03 -2.9565000000e-03 -2.6787000000e-03  2.0362000000e-03 -3.1860000000e-03  1.7106000000e-03  2.1702000000e-03
-
-JOB 472
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9593300000e-01 -2.0879900000e-01  7.9163500000e-01  6.6339000000e-01  2.7280000000e-01 -6.3381800000e-01  1.4269700000e+00  2.4645320000e+00 -2.8835430000e+00  1.2826470000e+00  2.6880610000e+00 -3.8030200000e+00  2.1674120000e+00  3.0096480000e+00 -2.6174120000e+00
-ENERGY -1.526559139304e+02
-FORCES  4.6868000000e-03  1.1349000000e-03 -6.8390000000e-04 -1.8595000000e-03  8.6360000000e-04 -2.9828000000e-03 -2.6323000000e-03 -2.7419000000e-03  4.4824000000e-03  1.7837000000e-03  4.0622000000e-03 -3.7053000000e-03  9.6880000000e-04 -6.6250000000e-04  3.8277000000e-03 -2.9476000000e-03 -2.6563000000e-03 -9.3800000000e-04
-
-JOB 473
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1274500000e-01  8.0972900000e-01  4.9785500000e-01 -8.6512600000e-01 -4.0952700000e-01  8.7410000000e-03 -8.1823100000e-01  2.6426980000e+00  1.0726590000e+00 -3.7668400000e-01  3.3403400000e+00  1.5569770000e+00 -1.4846930000e+00  2.3157320000e+00  1.6769390000e+00
-ENERGY -1.526594712624e+02
-FORCES -4.1980000000e-03  7.9506000000e-03  2.2967000000e-03  1.0307000000e-03 -9.8605000000e-03 -1.2075000000e-03  2.4730000000e-03  1.5200000000e-03  7.4600000000e-04 -8.6640000000e-04  4.0705000000e-03  3.7641000000e-03 -2.9107000000e-03 -3.3985000000e-03 -1.9433000000e-03  4.4713000000e-03 -2.8200000000e-04 -3.6561000000e-03
-
-JOB 474
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6919800000e-01 -4.8656000000e-01  4.8131700000e-01  4.1173000000e-01  5.5829500000e-01  6.5955800000e-01 -1.6390240000e+00  1.5553890000e+00 -2.0269250000e+00 -1.0472780000e+00  1.1825980000e+00 -1.3734000000e+00 -1.0661110000e+00  1.8180600000e+00 -2.7473460000e+00
-ENERGY -1.526616235165e+02
-FORCES -2.6530000000e-04 -2.4429000000e-03  6.2320000000e-03  3.5769000000e-03  3.1534000000e-03 -2.1374000000e-03 -2.5939000000e-03 -2.3331000000e-03 -3.7156000000e-03  7.1582000000e-03 -4.0375000000e-03  2.9875000000e-03 -6.3016000000e-03  6.2828000000e-03 -5.9065000000e-03 -1.5743000000e-03 -6.2270000000e-04  2.5399000000e-03
-
-JOB 475
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4931000000e-01  5.1338900000e-01  7.2845400000e-01  7.4889800000e-01 -1.3218700000e-01 -5.8130000000e-01 -1.9226000000e+00 -2.4481530000e+00  1.3690600000e-01 -1.6555790000e+00 -3.2158050000e+00  6.4251600000e-01 -1.1081700000e+00 -1.9717270000e+00 -2.4199000000e-02
-ENERGY -1.526586815084e+02
-FORCES  3.9237000000e-03  5.0275000000e-03  2.0353000000e-03 -7.1810000000e-04 -2.0337000000e-03 -3.9190000000e-03 -4.0121000000e-03 -9.8770000000e-04  3.2389000000e-03  5.5998000000e-03  3.1575000000e-03  1.3941000000e-03 -5.3140000000e-04  2.9913000000e-03 -1.6686000000e-03 -4.2619000000e-03 -8.1550000000e-03 -1.0807000000e-03
-
-JOB 476
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2628500000e-01  8.3899500000e-01  4.4313800000e-01 -8.8623300000e-01 -3.0232300000e-01 -1.9855300000e-01 -2.0955630000e+00 -1.4820070000e+00 -1.0891700000e+00 -2.9469000000e+00 -1.1157890000e+00 -8.4971000000e-01 -1.9226220000e+00 -1.1349970000e+00 -1.9643310000e+00
-ENERGY -1.526588790202e+02
-FORCES -8.8383000000e-03 -5.6916000000e-03 -2.0956000000e-03 -1.7910000000e-03 -3.4616000000e-03 -2.1500000000e-03  6.2143000000e-03  9.1946000000e-03  2.6782000000e-03 -9.0570000000e-04  1.5970000000e-04 -4.5396000000e-03  6.4967000000e-03  2.8710000000e-04 -7.6900000000e-05 -1.1758000000e-03 -4.8830000000e-04  6.1839000000e-03
-
-JOB 477
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4522100000e-01  6.2777300000e-01 -4.7420100000e-01 -6.9176000000e-02 -7.5104700000e-01 -5.8938500000e-01 -3.2475500000e-01 -8.1110000000e-03  2.7705300000e+00 -2.9641400000e-01  2.1125600000e-01  1.8392370000e+00 -1.2322400000e-01  8.1423600000e-01  3.2170300000e+00
-ENERGY -1.526601837543e+02
-FORCES  1.1799000000e-03 -3.1165000000e-03  5.1270000000e-04 -2.6157000000e-03 -3.1035000000e-03  2.1737000000e-03  1.2585000000e-03  4.5332000000e-03  9.1430000000e-04  1.3659000000e-03  1.4318000000e-03 -1.0294400000e-02 -1.1041000000e-03  2.2955000000e-03  9.5957000000e-03 -8.4500000000e-05 -2.0406000000e-03 -2.9021000000e-03
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-JOB 478
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5342400000e-01  2.1065100000e-01 -7.5205100000e-01  2.6973100000e-01  8.5101300000e-01  3.4533200000e-01  8.8520700000e-01  2.2661350000e+00  1.2068870000e+00  1.7103270000e+00  1.8700460000e+00  1.4871060000e+00  1.1469910000e+00  3.0516040000e+00  7.2653400000e-01
-ENERGY -1.526601033710e+02
-FORCES  2.0412000000e-03  1.4199500000e-02  5.0841000000e-03  1.9730000000e-03  7.4310000000e-04  2.1886000000e-03 -2.3700000000e-05 -1.0088100000e-02 -3.9341000000e-03  2.4613000000e-03 -2.0304000000e-03 -2.3315000000e-03 -5.4879000000e-03  1.6654000000e-03 -3.3565000000e-03 -9.6400000000e-04 -4.4895000000e-03  2.3493000000e-03
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-JOB 479
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8510600000e-01  6.8609500000e-01 -3.2118000000e-01  8.7631300000e-01  2.9874200000e-01 -2.4302400000e-01 -1.5509600000e-01 -7.7394300000e-01  2.5261510000e+00 -3.2220000000e-01 -5.6243300000e-01  1.6076890000e+00  7.9894400000e-01 -8.1197200000e-01  2.5939250000e+00
-ENERGY -1.526574290785e+02
-FORCES  2.1970000000e-03  6.7490000000e-04  8.8368000000e-03  3.6132000000e-03 -3.4701000000e-03  2.1566000000e-03 -4.6704000000e-03 -8.5270000000e-04  7.9620000000e-04  3.9989000000e-03  5.2241000000e-03 -1.8512600000e-02 -3.4487000000e-03 -1.8613000000e-03  6.7172000000e-03 -1.6899000000e-03  2.8510000000e-04  5.9000000000e-06
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-JOB 480
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5716000000e-02  2.4393500000e-01 -9.2161800000e-01  5.5766400000e-01 -7.7192700000e-01  9.6804000000e-02  2.2816240000e+00  1.9300730000e+00 -1.5079400000e+00  1.7478640000e+00  2.3043640000e+00 -2.2088250000e+00  1.7556880000e+00  2.0476620000e+00 -7.1686700000e-01
-ENERGY -1.526571585420e+02
-FORCES  3.7485000000e-03 -4.1243000000e-03 -4.2811000000e-03 -1.6834000000e-03  7.2760000000e-04  4.4541000000e-03 -2.9314000000e-03  2.9538000000e-03  1.1120000000e-04 -3.1855000000e-03  3.5065000000e-03  2.2696000000e-03  1.3746000000e-03 -2.9568000000e-03  3.0462000000e-03  2.6773000000e-03 -1.0670000000e-04 -5.6000000000e-03
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-JOB 481
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2195400000e-01 -4.9052800000e-01  2.3690000000e-03  5.8660700000e-01 -5.1195700000e-01  5.5679800000e-01  2.8117430000e+00  1.3834660000e+00 -1.3266250000e+00  2.8102540000e+00  2.1754940000e+00 -1.8641390000e+00  2.7581470000e+00  6.6535700000e-01 -1.9572430000e+00
-ENERGY -1.526535793766e+02
-FORCES  2.5540000000e-04 -3.4221000000e-03  3.3685000000e-03  3.6053000000e-03  2.3569000000e-03 -5.5000000000e-04 -3.2458000000e-03  1.1871000000e-03 -2.4142000000e-03 -2.6648000000e-03  2.8190000000e-04 -4.7368000000e-03  4.6960000000e-04 -3.0436000000e-03  1.9630000000e-03  1.5803000000e-03  2.6397000000e-03  2.3696000000e-03
-
-JOB 482
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6995600000e-01  5.5857300000e-01  1.0674800000e-01  2.8196000000e-02 -5.2522400000e-01  7.9973600000e-01 -4.3880900000e-01 -1.6741150000e+00 -2.0177420000e+00 -1.3706300000e-01 -1.0742340000e+00 -1.3355960000e+00  3.3322100000e-01 -1.8253250000e+00 -2.5630290000e+00
-ENERGY -1.526605692831e+02
-FORCES -5.1396000000e-03 -4.2653000000e-03 -3.1774000000e-03  4.1754000000e-03 -3.3870000000e-03  6.0840000000e-04 -7.0870000000e-04  2.7078000000e-03 -4.7980000000e-03  4.2879000000e-03  1.1304700000e-02  1.1679400000e-02 -1.2987000000e-03 -7.9060000000e-03 -7.4403000000e-03 -1.3164000000e-03  1.5457000000e-03  3.1279000000e-03
-
-JOB 483
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1688900000e-01 -6.3378400000e-01  6.8374600000e-01 -7.2638600000e-01 -4.0101500000e-01 -4.7726400000e-01  7.0001000000e-02  1.7050660000e+00  2.6535240000e+00 -7.1048900000e-01  1.1556200000e+00  2.5815660000e+00  2.7605600000e-01  1.9486420000e+00  1.7510580000e+00
-ENERGY -1.526579484266e+02
-FORCES -5.7620000000e-04 -5.3833000000e-03  5.6100000000e-05 -2.3482000000e-03  3.0242000000e-03 -3.2744000000e-03  2.8835000000e-03  1.7813000000e-03  2.9787000000e-03 -2.9176000000e-03 -1.5425000000e-03 -7.8291000000e-03  2.5805000000e-03  7.7480000000e-04  2.2363000000e-03  3.7800000000e-04  1.3454000000e-03  5.8324000000e-03
-
-JOB 484
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9549000000e-01 -6.3232000000e-02 -9.3488900000e-01  6.9486300000e-01 -5.0274900000e-01  4.2501800000e-01 -2.7375580000e+00 -1.0979300000e-01 -7.5140000000e-03 -1.7853120000e+00 -4.1994000000e-02  6.2226000000e-02 -3.0684300000e+00  6.3912400000e-01  4.8834800000e-01
-ENERGY -1.526612506248e+02
-FORCES -1.7402000000e-03 -3.2364000000e-03 -4.6500000000e-04 -1.2233000000e-03 -2.6880000000e-04  5.5403000000e-03 -2.1216000000e-03  2.7867000000e-03 -3.4713000000e-03  1.2823700000e-02  1.9984000000e-03  2.7339000000e-03 -9.5329000000e-03  7.3600000000e-04 -3.1706000000e-03  1.7943000000e-03 -2.0160000000e-03 -1.1673000000e-03
-
-JOB 485
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.9791000000e-02  7.1552500000e-01  6.2793100000e-01  4.0910300000e-01  3.2554500000e-01 -8.0180200000e-01 -2.7772380000e+00  3.8559100000e-01 -2.3756650000e+00 -2.6392710000e+00  9.1706100000e-01 -1.5916140000e+00 -1.9177480000e+00  9.0350000000e-03 -2.5646440000e+00
-ENERGY -1.526548658206e+02
-FORCES  4.0522000000e-03  3.6949000000e-03  1.0105000000e-03 -9.2430000000e-04 -3.0147000000e-03 -3.1243000000e-03 -3.4939000000e-03 -1.5020000000e-03  2.6142000000e-03  4.4972000000e-03 -9.1540000000e-04  4.5734000000e-03 -1.3670000000e-03 -5.0400000000e-04 -4.1782000000e-03 -2.7642000000e-03  2.2412000000e-03 -8.9570000000e-04
-
-JOB 486
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4206000000e-01  7.4803000000e-01 -4.0157900000e-01 -3.0334000000e-02 -6.6065800000e-01 -6.9198400000e-01  1.2721820000e+00  2.8797150000e+00 -6.6889000000e-02  1.3537570000e+00  2.2812650000e+00  6.7569700000e-01  5.0771700000e-01  3.4170280000e+00  1.4076400000e-01
-ENERGY -1.526593781400e+02
-FORCES  1.7792000000e-03  1.7320000000e-03 -5.7489000000e-03 -1.8771000000e-03 -6.3897000000e-03  5.2929000000e-03  1.1660000000e-04  2.8869000000e-03  2.2756000000e-03 -2.1972000000e-03  3.2875000000e-03  6.2553000000e-03 -1.5314000000e-03  1.0328000000e-03 -6.8781000000e-03  3.7100000000e-03 -2.5495000000e-03 -1.1968000000e-03
-
-JOB 487
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2027000000e-02  7.9399100000e-01  5.3207400000e-01  9.0286000000e-01 -3.1364500000e-01 -5.1981000000e-02 -7.1666000000e-02  2.0564790000e+00  1.6967490000e+00 -1.6904000000e-02  1.6255150000e+00  2.5496870000e+00 -9.8130900000e-01  2.3475140000e+00  1.6328790000e+00
-ENERGY -1.526598978133e+02
-FORCES  2.2031000000e-03  1.4421300000e-02  1.0288900000e-02 -1.3673000000e-03 -8.8011000000e-03 -6.1132000000e-03 -2.3036000000e-03  1.7101000000e-03  1.7754000000e-03 -3.3478000000e-03 -6.4025000000e-03 -1.0443000000e-03 -4.3190000000e-04  1.9826000000e-03 -5.1812000000e-03  5.2474000000e-03 -2.9105000000e-03  2.7440000000e-04
-
-JOB 488
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0643400000e-01 -2.6872400000e-01  1.4965700000e-01  4.3639000000e-02  9.5196900000e-01 -8.9902000000e-02 -3.7517940000e+00  2.6511000000e-02  3.2026900000e-01 -4.5052030000e+00  5.0834900000e-01  6.6150100000e-01 -4.1333070000e+00 -7.2246400000e-01 -1.3767900000e-01
-ENERGY -1.526530345528e+02
-FORCES  2.8760000000e-03  3.5332000000e-03  5.0820000000e-04 -3.9073000000e-03  8.4590000000e-04 -6.0820000000e-04  7.6510000000e-04 -3.8377000000e-03  2.0670000000e-04 -4.1718000000e-03 -2.0795000000e-03 -7.0500000000e-04  3.4277000000e-03 -1.7118000000e-03 -1.3679000000e-03  1.0103000000e-03  3.2499000000e-03  1.9662000000e-03
-
-JOB 489
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6134400000e-01  4.8776700000e-01  6.0266800000e-01 -8.7994400000e-01  3.3921700000e-01  1.6389900000e-01 -2.7288800000e+00  5.2650000000e-03  6.4466700000e-01 -3.2872830000e+00 -4.6286500000e-01  2.3964000000e-02 -2.1930570000e+00 -6.7778500000e-01  1.0478650000e+00
-ENERGY -1.526598592820e+02
-FORCES -7.8905000000e-03  5.0840000000e-03  8.4910000000e-04 -3.4875000000e-03 -1.9032000000e-03 -1.2207000000e-03  8.6523000000e-03 -5.4565000000e-03  2.5975000000e-03  5.0240000000e-04 -6.3607000000e-03 -1.9717000000e-03  2.7144000000e-03  1.6794000000e-03  3.4511000000e-03 -4.9110000000e-04  6.9570000000e-03 -3.7052000000e-03
-
-JOB 490
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9778500000e-01  5.9309500000e-01 -5.6274400000e-01  6.1879000000e-02 -8.1227200000e-01 -5.0261100000e-01 -1.7125040000e+00 -1.1848970000e+00  1.8885270000e+00 -2.4788450000e+00 -1.4815580000e+00  1.3976650000e+00 -9.6973000000e-01 -1.3893460000e+00  1.3204430000e+00
-ENERGY -1.526514074063e+02
-FORCES -6.0558000000e-03  1.7179000000e-03 -1.4433000000e-03  2.9678000000e-03 -2.9678000000e-03  1.4999000000e-03 -2.9709000000e-03  1.5609000000e-03  6.5696000000e-03  5.1270000000e-03  4.0643000000e-03 -8.6431000000e-03  3.1033000000e-03  1.5514000000e-03  1.0128000000e-03 -2.1715000000e-03 -5.9267000000e-03  1.0041000000e-03
-
-JOB 491
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9478300000e-01 -6.3457100000e-01  3.9973000000e-01 -5.1618000000e-02  7.6843100000e-01  5.6840200000e-01 -3.2641300000e-01  1.7441890000e+00  2.1656530000e+00 -6.2217000000e-02  2.6065270000e+00  2.4862850000e+00 -1.1854170000e+00  1.5941940000e+00  2.5604240000e+00
-ENERGY -1.526596525302e+02
-FORCES -1.9901000000e-03  6.2175000000e-03  1.0916700000e-02  9.4900000000e-04  1.7329000000e-03 -1.1521000000e-03  1.3660000000e-04 -4.9296000000e-03 -7.1119000000e-03 -1.2545000000e-03  5.4150000000e-04  1.4770000000e-04 -2.2442000000e-03 -4.2602000000e-03 -7.9120000000e-04  4.4030000000e-03  6.9790000000e-04 -2.0092000000e-03
-
-JOB 492
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0859300000e-01 -6.4264300000e-01  3.3728000000e-02  1.1269100000e-01  2.8085900000e-01  9.0810300000e-01 -2.3841960000e+00 -1.5769290000e+00 -1.3012000000e-02 -2.5334290000e+00 -9.9178400000e-01 -7.5568800000e-01 -2.1084210000e+00 -2.4030930000e+00 -4.1004200000e-01
-ENERGY -1.526602222638e+02
-FORCES -8.8988000000e-03 -6.2488000000e-03  5.2149000000e-03  6.9464000000e-03  5.5767000000e-03 -5.2110000000e-03 -3.0770000000e-04 -8.8990000000e-04 -2.8019000000e-03 -2.4456000000e-03 -1.0011000000e-03 -4.6710000000e-03  4.4578000000e-03 -3.1929000000e-03  5.2906000000e-03  2.4780000000e-04  5.7559000000e-03  2.1786000000e-03
-
-JOB 493
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8205100000e-01 -7.2566800000e-01 -4.9363400000e-01 -7.5756500000e-01 -3.8310500000e-01  4.4221900000e-01 -1.8813230000e+00  7.6303900000e-01 -2.4203740000e+00 -9.6576800000e-01  8.6253300000e-01 -2.1594320000e+00 -2.3569450000e+00  6.6695500000e-01 -1.5952780000e+00
-ENERGY -1.526571495879e+02
-FORCES -1.2516000000e-03 -6.2132000000e-03  1.2420000000e-03 -2.0139000000e-03  4.3625000000e-03  1.4678000000e-03  2.5312000000e-03  2.4814000000e-03 -2.7046000000e-03  4.4746000000e-03  7.0200000000e-04  8.1309000000e-03 -3.3481000000e-03 -6.1120000000e-04 -5.2834000000e-03 -3.9230000000e-04 -7.2160000000e-04 -2.8527000000e-03
-
-JOB 494
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4933000000e-02 -8.0903100000e-01 -5.0958900000e-01 -4.4607000000e-02 -2.8789700000e-01  9.1178800000e-01 -2.9842150000e+00 -6.1707100000e-01  2.7297910000e+00 -3.2591370000e+00  2.4746000000e-01  3.0351360000e+00 -3.5612830000e+00 -8.0484200000e-01  1.9895430000e+00
-ENERGY -1.526560132510e+02
-FORCES -7.4740000000e-04 -4.6587000000e-03  2.7153000000e-03  6.2200000000e-05  3.2136000000e-03  1.6754000000e-03  1.5483000000e-03  1.4286000000e-03 -4.7140000000e-03 -4.3332000000e-03  3.3400000000e-03 -1.8472000000e-03  1.0904000000e-03 -3.7320000000e-03 -1.0706000000e-03  2.3796000000e-03  4.0860000000e-04  3.2411000000e-03
-
-JOB 495
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0217000000e-02 -1.7892200000e-01  9.3898700000e-01  1.3245100000e-01 -8.5890100000e-01 -4.0122000000e-01 -3.3009780000e+00  6.9921600000e-01  1.0117330000e+00 -2.8897520000e+00  1.3801520000e+00  1.5441340000e+00 -4.1681940000e+00  1.0474860000e+00  8.0466400000e-01
-ENERGY -1.526534529049e+02
-FORCES -2.0419000000e-03 -4.9218000000e-03  2.0742000000e-03  1.2951000000e-03  1.4394000000e-03 -3.2334000000e-03  1.8220000000e-04  3.3759000000e-03  1.4140000000e-03 -1.1866000000e-03  4.9882000000e-03  1.1970000000e-04 -1.7768000000e-03 -3.3078000000e-03 -1.1565000000e-03  3.5281000000e-03 -1.5737000000e-03  7.8200000000e-04
-
-JOB 496
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6530900000e-01  6.2458000000e-01 -6.2664300000e-01 -7.5140900000e-01 -5.1834100000e-01  2.8799000000e-01  9.7297900000e-01 -1.8363800000e+00 -1.5461720000e+00  8.7551500000e-01 -1.1934280000e+00 -8.4378600000e-01  7.2886600000e-01 -1.3622830000e+00 -2.3410760000e+00
-ENERGY -1.526554323940e+02
-FORCES -3.2600000000e-04 -9.1848000000e-03 -1.0284500000e-02  1.7816000000e-03 -4.3581000000e-03  2.2215000000e-03  4.6763000000e-03  2.7575000000e-03 -2.4732000000e-03 -7.4671000000e-03  1.8589500000e-02  1.1736900000e-02  1.6524000000e-03 -7.2412000000e-03 -3.2108000000e-03 -3.1710000000e-04 -5.6290000000e-04  2.0101000000e-03
-
-JOB 497
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8730100000e-01 -1.4482400000e-01  9.2745700000e-01  1.3725600000e-01 -8.7747100000e-01 -3.5698300000e-01 -3.4407020000e+00  1.0733090000e+00  1.3181060000e+00 -3.1377380000e+00  5.8236800000e-01  2.0819260000e+00 -2.9006990000e+00  1.8636130000e+00  1.3111350000e+00
-ENERGY -1.526533567108e+02
-FORCES -1.2619000000e-03 -4.7507000000e-03  1.5963000000e-03  1.0170000000e-03  1.0990000000e-03 -2.9785000000e-03 -2.0000000000e-04  3.5680000000e-03  1.6271000000e-03  3.6146000000e-03  1.8252000000e-03  1.8986000000e-03 -5.3520000000e-04  1.5525000000e-03 -3.1362000000e-03 -2.6345000000e-03 -3.2941000000e-03  9.9270000000e-04
-
-JOB 498
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0994800000e-01  1.5308600000e-01 -7.9545500000e-01  2.6217200000e-01  8.7408100000e-01  2.8893100000e-01 -1.5328230000e+00 -6.6454000000e-01  2.0970990000e+00 -1.0230710000e+00 -6.3502800000e-01  1.2874610000e+00 -9.9337700000e-01 -2.0056200000e-01  2.7373750000e+00
-ENERGY -1.526583524234e+02
-FORCES -5.4611000000e-03  3.3731000000e-03  4.4037000000e-03  2.3564000000e-03 -5.4340000000e-04  5.0155000000e-03 -1.7222000000e-03 -4.7948000000e-03 -9.6970000000e-04  1.2466200000e-02  4.1227000000e-03 -1.2650300000e-02 -6.4517000000e-03 -2.0088000000e-03  6.4190000000e-03 -1.1875000000e-03 -1.4890000000e-04 -2.2182000000e-03
-
-JOB 499
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5129000000e-01  9.4453100000e-01  3.4708000000e-02  6.7611000000e-01 -3.2975100000e-01 -5.9192200000e-01 -1.8128670000e+00  2.8263100000e-01 -3.1102660000e+00 -1.5072510000e+00 -6.1582400000e-01 -2.9853320000e+00 -1.0218520000e+00  8.1709200000e-01 -3.0404230000e+00
-ENERGY -1.526530794283e+02
-FORCES  2.8663000000e-03  3.0220000000e-03 -8.8950000000e-04 -2.2680000000e-04 -4.1249000000e-03 -6.9050000000e-04 -3.6409000000e-03  1.4196000000e-03  1.2541000000e-03  4.3550000000e-03 -2.1077000000e-03  3.3403000000e-03 -8.4470000000e-04  3.3764000000e-03 -2.0222000000e-03 -2.5089000000e-03 -1.5854000000e-03 -9.9220000000e-04
-
-JOB 500
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5880800000e-01 -3.8204200000e-01 -7.4817800000e-01 -3.2338000000e-02  9.4398600000e-01 -1.5516300000e-01 -1.5350360000e+00  5.0712900000e-01  2.3708750000e+00 -6.6237400000e-01  2.2535200000e-01  2.6452740000e+00 -1.6647370000e+00  9.0861000000e-02  1.5187420000e+00
-ENERGY -1.526576580121e+02
-FORCES -3.9770000000e-04  4.5031000000e-03 -1.8655000000e-03  1.8480000000e-04  2.1376000000e-03  5.1888000000e-03 -2.0470000000e-04 -5.2371000000e-03  2.3520000000e-04  8.6221000000e-03 -5.5510000000e-03 -8.2126000000e-03 -2.9916000000e-03  2.1496000000e-03  2.0294000000e-03 -5.2128000000e-03  1.9979000000e-03  2.6246000000e-03
-
-JOB 501
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2322800000e-01  6.1735200000e-01 -1.0977000000e-01 -5.8912900000e-01  1.8816300000e-01 -7.3058400000e-01 -7.5736200000e-01 -2.4917100000e+00  8.5076000000e-02 -2.6708000000e-01 -3.0562580000e+00  6.8268900000e-01 -3.0776000000e-01 -1.6478170000e+00  1.2903500000e-01
-ENERGY -1.526588292128e+02
-FORCES -1.7327000000e-03 -7.9809000000e-03 -1.9936000000e-03 -4.6005000000e-03 -1.9926000000e-03 -3.4140000000e-04  4.6978000000e-03 -1.5965000000e-03  4.1524000000e-03  7.3234000000e-03  1.5042200000e-02  1.9960000000e-03 -8.9700000000e-05  2.9195000000e-03 -1.3870000000e-03 -5.5981000000e-03 -6.3917000000e-03 -2.4264000000e-03
-
-JOB 502
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8312300000e-01 -4.6337000000e-02  8.2503100000e-01  8.9883100000e-01 -2.3049400000e-01  2.3496100000e-01  7.7472000000e-02 -4.3414100000e-01  2.7592480000e+00  3.8557000000e-01  1.4193600000e-01  3.4588500000e+00  2.5817600000e-01 -1.3180240000e+00  3.0791360000e+00
-ENERGY -1.526589661633e+02
-FORCES  2.8113000000e-03 -2.0333000000e-03  1.3663200000e-02 -2.5348000000e-03  8.6480000000e-04 -6.0513000000e-03 -6.8170000000e-04  2.3020000000e-04 -3.3977000000e-03  1.1870000000e-03 -2.0110000000e-04  3.9190000000e-04 -8.0420000000e-04 -3.5498000000e-03 -3.1442000000e-03  2.2400000000e-05  4.6893000000e-03 -1.4619000000e-03
-
-JOB 503
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3700700000e-01  1.7445800000e-01 -8.8401000000e-02 -8.2150000000e-02 -9.4403300000e-01 -1.3522300000e-01 -1.6418680000e+00  3.9232700000e-01  2.1132850000e+00 -2.0461550000e+00  1.2256170000e+00  1.8715980000e+00 -1.1410430000e+00  1.3511600000e-01  1.3391740000e+00
-ENERGY -1.526588958053e+02
-FORCES  1.4232000000e-03  1.0355000000e-03  5.5472000000e-03 -4.4224000000e-03 -2.1667000000e-03 -1.2467000000e-03 -5.3840000000e-04  5.9147000000e-03  3.2635000000e-03  9.1793000000e-03  1.6530000000e-03 -1.2906300000e-02  1.2390000000e-03 -2.0015000000e-03  7.6880000000e-04 -6.8807000000e-03 -4.4351000000e-03  4.5734000000e-03
-
-JOB 504
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9695900000e-01 -4.7196900000e-01  8.0912600000e-01 -6.2892900000e-01  7.2139900000e-01 -1.6203000000e-02 -5.9931000000e-02  2.7659060000e+00 -8.0297300000e-01  7.1712000000e-01  2.6332320000e+00 -1.3459480000e+00 -7.3341700000e-01  3.0609630000e+00 -1.4158270000e+00
-ENERGY -1.526583785481e+02
-FORCES -2.5002000000e-03  6.5201000000e-03  1.3116000000e-03  3.4440000000e-04  2.8366000000e-03 -2.8191000000e-03 -8.4830000000e-04 -8.3284000000e-03  1.2941000000e-03  4.7579000000e-03 -7.0280000000e-04 -4.6916000000e-03 -4.0407000000e-03  2.6106000000e-03  1.5500000000e-03  2.2869000000e-03 -2.9361000000e-03  3.3551000000e-03
-
-JOB 505
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7504000000e-02  2.1156900000e-01  9.3277200000e-01 -7.4491000000e-01  5.0227300000e-01 -3.3024600000e-01 -1.6678850000e+00  1.8221090000e+00 -2.0183360000e+00 -1.2210800000e+00  2.4779370000e+00 -1.4830920000e+00 -1.0548030000e+00  1.6341500000e+00 -2.7289930000e+00
-ENERGY -1.526588300289e+02
-FORCES -5.1727000000e-03  2.0992000000e-03  1.4790000000e-04 -4.6300000000e-04  1.8650000000e-04 -3.9355000000e-03  6.6629000000e-03 -1.9528000000e-03  5.5616000000e-03  4.5758000000e-03  3.5580000000e-03 -4.7457000000e-03 -2.2896000000e-03 -5.2084000000e-03 -4.7820000000e-04 -3.3134000000e-03  1.3174000000e-03  3.4500000000e-03
-
-JOB 506
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7387400000e-01  7.4211700000e-01  4.7509200000e-01  3.4865400000e-01  8.3018000000e-02 -8.8757000000e-01 -2.7050360000e+00 -5.7950100000e-01  5.9186200000e-01 -2.5751880000e+00 -8.5348600000e-01  1.4997740000e+00 -1.8196480000e+00 -4.6018700000e-01  2.4822700000e-01
-ENERGY -1.526611969249e+02
-FORCES -1.6800000000e-05  3.4905000000e-03 -1.5150000000e-04 -8.1190000000e-04 -3.7959000000e-03 -2.8700000000e-03 -1.6994000000e-03  3.0650000000e-04  4.6831000000e-03  1.2371400000e-02  1.0205000000e-03 -1.9820000000e-04 -4.7600000000e-04  1.3026000000e-03 -2.1801000000e-03 -9.3673000000e-03 -2.3243000000e-03  7.1670000000e-04
-
-JOB 507
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3277100000e-01  1.5295000000e-01 -4.4646400000e-01 -3.0025300000e-01 -8.4490900000e-01 -3.3497700000e-01  2.9392680000e+00  5.2565300000e-01 -2.1027700000e-01  3.1048650000e+00  1.3671920000e+00 -6.3527300000e-01  3.5747810000e+00 -7.1608000000e-02 -6.0478300000e-01
-ENERGY -1.526588738615e+02
-FORCES  7.7405000000e-03 -1.5151000000e-03 -1.7091000000e-03 -9.6991000000e-03 -4.9700000000e-04 -1.3369000000e-03  1.6633000000e-03  2.6981000000e-03  9.6200000000e-04  5.7251000000e-03  1.2628000000e-03 -8.3310000000e-04 -1.8645000000e-03 -4.9078000000e-03  1.4215000000e-03 -3.5653000000e-03  2.9590000000e-03  1.4957000000e-03
-
-JOB 508
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6672700000e-01  2.2442500000e-01 -8.9147200000e-01 -7.1315400000e-01 -6.2823600000e-01 -1.1384900000e-01 -1.1543530000e+00  2.2429360000e+00  9.0144300000e-01 -1.3451130000e+00  1.8337610000e+00  1.7454920000e+00 -6.1705400000e-01  1.5997960000e+00  4.3893700000e-01
-ENERGY -1.526576131170e+02
-FORCES -6.4439000000e-03  2.6619000000e-03  6.9500000000e-05 -3.4154000000e-03  1.5903000000e-03  6.1997000000e-03  4.1472000000e-03  3.3128000000e-03  4.5420000000e-04  8.6084000000e-03 -1.7259700000e-02 -2.2191000000e-03 -7.8210000000e-04  1.2096000000e-03 -1.8819000000e-03 -2.1142000000e-03  8.4850000000e-03 -2.6224000000e-03
-
-JOB 509
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7574300000e-01 -4.7914800000e-01  2.9132700000e-01 -7.1056700000e-01 -6.3921600000e-01  5.2251000000e-02  1.5718230000e+00  6.8565000000e-02 -2.2316520000e+00  2.2231440000e+00  6.9929000000e-01 -1.9247330000e+00  9.3438000000e-01  1.6080000000e-02 -1.5195120000e+00
-ENERGY -1.526580475936e+02
-FORCES  9.8030000000e-04 -3.7546000000e-03 -9.1620000000e-04 -3.4257000000e-03  4.0082000000e-03 -6.8558000000e-03  4.6881000000e-03  2.9894000000e-03 -4.6200000000e-04 -9.7052000000e-03  3.8837000000e-03  1.0965900000e-02 -1.9301000000e-03 -2.8330000000e-03  5.0730000000e-04  9.3926000000e-03 -4.2938000000e-03 -3.2392000000e-03
-
-JOB 510
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5506700000e-01  3.3442400000e-01 -7.0448100000e-01 -8.9407200000e-01  1.5178100000e-01 -3.0631700000e-01  9.3610100000e-01 -2.2876940000e+00  1.0496670000e+00  5.0281500000e-01 -1.5653460000e+00  5.9501400000e-01  1.7176990000e+00 -2.4660580000e+00  5.2667400000e-01
-ENERGY -1.526589021692e+02
-FORCES  1.6058000000e-03 -3.4349000000e-03 -1.8310000000e-04 -3.3241000000e-03 -2.6275000000e-03  3.3181000000e-03  5.3823000000e-03 -7.5060000000e-04  9.6350000000e-04 -4.5326000000e-03  1.3810100000e-02 -7.2458000000e-03  3.1444000000e-03 -8.7617000000e-03  2.4656000000e-03 -2.2758000000e-03  1.7646000000e-03  6.8160000000e-04
-
-JOB 511
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2275300000e-01  4.5456400000e-01  8.3338800000e-01  6.9270400000e-01 -6.3727600000e-01  1.7398700000e-01  1.7213570000e+00  1.1420740000e+00 -1.9767100000e+00  2.2333640000e+00  5.3315100000e-01 -2.5089620000e+00  1.1331840000e+00  5.8199300000e-01 -1.4701590000e+00
-ENERGY -1.526585167079e+02
-FORCES  1.9893000000e-03  2.8773000000e-03  5.4623000000e-03  3.3130000000e-04 -3.6922000000e-03 -3.1269000000e-03 -2.1335000000e-03  4.8982000000e-03 -4.4710000000e-03 -6.6859000000e-03 -3.8422000000e-03  4.3800000000e-03 -2.4567000000e-03  7.4330000000e-04  3.4873000000e-03  8.9555000000e-03 -9.8440000000e-04 -5.7317000000e-03
-
-JOB 512
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3441600000e-01 -8.8688000000e-02 -7.8915500000e-01 -2.4854400000e-01 -8.9692300000e-01  2.2357600000e-01  2.2460940000e+00  6.9713600000e-01  1.3819220000e+00  1.3167940000e+00  6.6775600000e-01  1.1543890000e+00  2.2673470000e+00  5.3699600000e-01  2.3253920000e+00
-ENERGY -1.526601847311e+02
-FORCES  6.7445000000e-03 -4.1870000000e-03 -9.9360000000e-04 -3.3855000000e-03  2.7390000000e-04  4.3057000000e-03  1.3948000000e-03  4.2975000000e-03 -9.0090000000e-04 -1.1968200000e-02 -2.5142000000e-03 -3.8075000000e-03  9.0407000000e-03  2.6321000000e-03  4.7403000000e-03 -1.8262000000e-03 -5.0230000000e-04 -3.3440000000e-03
-
-JOB 513
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8672700000e-01  8.9692100000e-01  1.7190600000e-01  5.2023000000e-02 -9.0379000000e-02 -9.5150300000e-01 -1.1162270000e+00 -1.8793210000e+00  1.9124380000e+00 -1.4298420000e+00 -1.3909380000e+00  1.1512810000e+00 -3.0290400000e-01 -1.4400460000e+00  2.1609820000e+00
-ENERGY -1.526584536074e+02
-FORCES  1.5990000000e-03  2.0839000000e-03 -2.6883000000e-03 -9.2560000000e-04 -4.6489000000e-03 -5.5300000000e-04 -8.5290000000e-04  8.4850000000e-04  4.6056000000e-03  5.7998000000e-03  8.1856000000e-03 -7.1092000000e-03 -3.5332000000e-03 -4.2010000000e-03  2.7592000000e-03 -2.0871000000e-03 -2.2680000000e-03  2.9856000000e-03
-
-JOB 514
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2649100000e-01  2.3764500000e-01 -3.7035000000e-02  2.3222000000e-02 -9.1812900000e-01 -2.6968800000e-01  8.0536600000e-01  1.2078660000e+00 -2.3905340000e+00  7.9209800000e-01  2.1627550000e+00 -2.3253870000e+00  5.3686400000e-01  9.0440200000e-01 -1.5233270000e+00
-ENERGY -1.526608720686e+02
-FORCES -2.6395000000e-03 -3.9561000000e-03 -1.9419000000e-03  6.0167000000e-03 -9.9600000000e-05 -1.6711000000e-03 -6.5200000000e-04  5.6465000000e-03  9.9100000000e-04 -1.8788000000e-03 -3.0276000000e-03  1.2242100000e-02 -9.9460000000e-04 -3.1883000000e-03  1.0387000000e-03  1.4830000000e-04  4.6252000000e-03 -1.0658800000e-02
-
-JOB 515
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9135800000e-01 -6.6096200000e-01 -3.7218000000e-02  5.9320000000e-01 -2.3271200000e-01 -7.1427700000e-01  1.8766460000e+00 -4.7481900000e-01 -1.5818140000e+00  2.3957520000e+00 -9.8084900000e-01 -9.5675800000e-01  2.3857090000e+00  3.2279700000e-01 -1.7263700000e+00
-ENERGY -1.526555760339e+02
-FORCES  1.8746000000e-02 -4.1040000000e-03 -1.9070700000e-02  4.4028000000e-03  1.8560000000e-04 -1.9228000000e-03 -4.9730000000e-03 -5.7100000000e-04  8.0166000000e-03 -1.1705400000e-02  5.9283000000e-03  1.4182800000e-02 -4.2553000000e-03  3.5855000000e-03 -3.0577000000e-03 -2.2152000000e-03 -5.0245000000e-03  1.8517000000e-03
-
-JOB 516
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6938100000e-01 -2.5355100000e-01 -5.0989900000e-01  1.3958000000e-02 -5.8107600000e-01  7.6051800000e-01  1.8008580000e+00 -2.7989000000e-01 -1.7342820000e+00  2.3731660000e+00 -9.8347700000e-01 -1.4282390000e+00  2.2558450000e+00  5.2477200000e-01 -1.4858130000e+00
-ENERGY -1.526526518788e+02
-FORCES  1.6545400000e-02 -3.8390000000e-03 -1.8743200000e-02 -1.1154000000e-03  1.4085000000e-03  1.0414100000e-02  3.5823000000e-03  3.0570000000e-04 -4.5955000000e-03 -7.9957000000e-03  3.7016000000e-03  9.3149000000e-03 -6.7015000000e-03  4.8341000000e-03  2.3888000000e-03 -4.3151000000e-03 -6.4110000000e-03  1.2211000000e-03
-
-JOB 517
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8740200000e-01  8.0233100000e-01 -4.3577100000e-01 -1.5924100000e-01 -6.1714500000e-01 -7.1414700000e-01 -3.4603200000e-01 -4.0959800000e-01  2.6721980000e+00  5.0272000000e-02  3.6224000000e-02  3.4208080000e+00 -1.1138800000e-01  1.3195700000e-01  1.9186110000e+00
-ENERGY -1.526577913891e+02
-FORCES -1.5537000000e-03 -4.5366000000e-03 -2.2370000000e-04 -1.2439000000e-03 -3.6436000000e-03  3.6303000000e-03  1.3777000000e-03  4.2753000000e-03  1.3155000000e-03  1.9977000000e-03  1.9220000000e-03 -9.1861000000e-03 -6.4490000000e-04 -4.0680000000e-04 -4.3081000000e-03  6.7000000000e-05  2.3897000000e-03  8.7721000000e-03
-
-JOB 518
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8062900000e-01 -5.3100100000e-01 -6.9956500000e-01  9.2990800000e-01 -2.2687800000e-01 -5.3770000000e-03 -7.2331200000e-01  9.7271000000e-02  2.7206290000e+00 -4.5912100000e-01  1.3184400000e-01  1.8012600000e+00 -9.6681700000e-01  9.9796200000e-01  2.9343870000e+00
-ENERGY -1.526616608531e+02
-FORCES -4.5720000000e-04 -3.7345000000e-03 -8.2320000000e-04  3.3999000000e-03  2.5543000000e-03  2.3456000000e-03 -5.3545000000e-03  8.8450000000e-04  4.8480000000e-04  1.1540000000e-03  1.9205000000e-03 -1.1235700000e-02  3.2210000000e-04  9.1770000000e-04  1.0546200000e-02  9.3580000000e-04 -2.5426000000e-03 -1.3178000000e-03
-
-JOB 519
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2721500000e-01  5.3450900000e-01 -5.9378200000e-01 -6.3109300000e-01 -5.8209600000e-01  4.2322300000e-01 -1.6973050000e+00 -1.7959680000e+00  1.1004030000e+00 -1.6442290000e+00 -2.7446370000e+00  9.8446400000e-01 -2.5928360000e+00 -1.5728890000e+00  8.4644900000e-01
-ENERGY -1.526592247470e+02
-FORCES -1.0037700000e-02 -9.9264000000e-03  5.3966000000e-03 -1.1600000000e-05 -2.4511000000e-03  2.2693000000e-03  3.8286000000e-03  8.3382000000e-03 -4.2403000000e-03  2.9364000000e-03  3.1100000000e-05 -4.2709000000e-03 -2.2829000000e-03  4.6528000000e-03  8.2750000000e-04  5.5672000000e-03 -6.4450000000e-04  1.7800000000e-05
-
-JOB 520
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0323900000e-01  4.9358200000e-01  1.6557700000e-01  1.1263000000e-01 -8.1358900000e-01  4.9154800000e-01  2.3103900000e-01 -2.0986630000e+00 -3.1225290000e+00  1.1399430000e+00 -1.9420910000e+00 -2.8663850000e+00  1.1101000000e-01 -1.5740520000e+00 -3.9141150000e+00
-ENERGY -1.526533374000e+02
-FORCES  2.7117000000e-03 -2.1256000000e-03  2.6597000000e-03 -3.0433000000e-03 -2.1732000000e-03 -1.3063000000e-03  6.4900000000e-05  3.7706000000e-03 -1.5537000000e-03  2.5651000000e-03  4.4421000000e-03 -1.2695000000e-03 -3.0106000000e-03 -1.4423000000e-03 -1.2493000000e-03  7.1220000000e-04 -2.4715000000e-03  2.7192000000e-03
-
-JOB 521
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6105200000e-01 -1.3085400000e-01  8.2857700000e-01  6.0851100000e-01  7.1792300000e-01  1.7473600000e-01 -2.2286410000e+00  1.5157740000e+00 -1.0125760000e+00 -1.7309740000e+00  2.0259150000e+00 -1.6515710000e+00 -1.6054650000e+00  8.6684900000e-01 -6.8580200000e-01
-ENERGY -1.526595575714e+02
-FORCES  2.2424000000e-03  3.1626000000e-03  4.5533000000e-03  3.9390000000e-04  2.2680000000e-03 -6.5389000000e-03 -3.6891000000e-03 -3.4336000000e-03 -1.3314000000e-03  1.1194900000e-02 -5.9300000000e-03 -7.9300000000e-05 -1.3945000000e-03 -7.4880000000e-04  2.2315000000e-03 -8.7476000000e-03  4.6818000000e-03  1.1649000000e-03
-
-JOB 522
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5521200000e-01 -5.5829000000e-01 -4.1861800000e-01 -5.0567600000e-01  7.1447500000e-01  3.8736100000e-01 -8.2861000000e-02  8.5636000000e-01 -3.5474650000e+00 -1.2073000000e-01  1.5285350000e+00 -4.2278890000e+00 -9.9333700000e-01  7.3672700000e-01 -3.2773680000e+00
-ENERGY -1.526521958327e+02
-FORCES -3.7375000000e-03  7.9770000000e-04 -9.9960000000e-04  1.8757000000e-03  2.5088000000e-03  1.7587000000e-03  1.7592000000e-03 -2.9983000000e-03 -1.6303000000e-03 -3.4176000000e-03  2.5432000000e-03 -1.3385000000e-03  2.5250000000e-04 -2.7701000000e-03  3.0432000000e-03  3.2676000000e-03 -8.1300000000e-05 -8.3350000000e-04
-
-JOB 523
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8598200000e-01  4.1621200000e-01 -7.1191300000e-01 -6.4850700000e-01  6.5346600000e-01  2.6201700000e-01 -6.1568900000e-01 -2.6504190000e+00 -9.1607500000e-01 -2.5035500000e-01 -1.7710960000e+00 -8.1832700000e-01 -7.1265000000e-02 -3.0633380000e+00 -1.5863970000e+00
-ENERGY -1.526591799163e+02
-FORCES -3.5727000000e-03  4.0568000000e-03  6.4170000000e-04 -3.1134000000e-03 -4.6298000000e-03  2.4228000000e-03  4.2889000000e-03 -1.7792000000e-03 -1.4349000000e-03  2.9820000000e-03  7.6840000000e-03  2.6705000000e-03  5.2600000000e-04 -8.4920000000e-03 -6.5305000000e-03 -1.1108000000e-03  3.1601000000e-03  2.2303000000e-03
-
-JOB 524
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6403100000e-01  8.6777900000e-01 -1.7513600000e-01  7.6544000000e-01 -5.6767200000e-01  8.9902000000e-02 -9.3233100000e-01 -2.6695280000e+00 -1.1604220000e+00 -4.6441900000e-01 -2.9790620000e+00 -3.8487100000e-01 -1.0996230000e+00 -3.4612710000e+00 -1.6716830000e+00
-ENERGY -1.526513403242e+02
-FORCES  4.2592000000e-03  1.3560000000e-04 -2.4837000000e-03 -1.8223000000e-03 -3.5921000000e-03  5.2470000000e-04 -3.0923000000e-03  1.5100000000e-03  1.3293000000e-03  4.6780000000e-04 -3.7663000000e-03  2.2628000000e-03 -4.3780000000e-04  1.5551000000e-03 -3.5774000000e-03  6.2540000000e-04  4.1577000000e-03  1.9443000000e-03
-
-JOB 525
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4618600000e-01  4.1317800000e-01 -4.3442300000e-01 -2.9873900000e-01 -1.5296100000e-01  8.9643200000e-01  1.6694010000e+00 -1.7626670000e+00 -1.4688050000e+00  1.3681570000e+00 -1.4493950000e+00 -2.3216500000e+00  1.1213390000e+00 -1.2991020000e+00 -8.3558500000e-01
-ENERGY -1.526603162583e+02
-FORCES -2.5841000000e-03 -4.9000000000e-06 -4.1610000000e-04  3.3355000000e-03 -1.8927000000e-03  2.6815000000e-03  1.0518000000e-03  7.4440000000e-04 -4.9024000000e-03 -7.9816000000e-03  8.9817000000e-03  3.8729000000e-03  7.0450000000e-04 -1.0198000000e-03  1.8823000000e-03  5.4739000000e-03 -6.8087000000e-03 -3.1181000000e-03
-
-JOB 526
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0691500000e-01  8.3912100000e-01 -3.4338200000e-01 -9.5242900000e-01  3.8939000000e-02 -8.7148000000e-02 -2.5068600000e+00 -1.1197150000e+00 -1.5396650000e+00 -2.7660600000e+00 -5.8084800000e-01 -2.2871070000e+00 -3.2263830000e+00 -1.0261480000e+00 -9.1535400000e-01
-ENERGY -1.526556131401e+02
-FORCES -5.1903000000e-03  7.4470000000e-04 -4.5270000000e-03 -1.3172000000e-03 -3.0347000000e-03  9.9880000000e-04  4.5684000000e-03  3.2926000000e-03  4.8331000000e-03 -4.6834000000e-03 -1.6710000000e-04 -3.4419000000e-03  1.3836000000e-03 -1.9791000000e-03  4.0539000000e-03  5.2389000000e-03  1.1436000000e-03 -1.9168000000e-03
-
-JOB 527
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2217400000e-01 -1.2601500000e-01  2.2348800000e-01 -2.0143000000e-01 -7.1717700000e-01 -6.0109500000e-01  2.7344590000e+00  7.7520000000e-03  9.4468200000e-01  3.2846460000e+00 -7.4939500000e-01  1.1453180000e+00  2.6937990000e+00  4.9902800000e-01  1.7651860000e+00
-ENERGY -1.526616607790e+02
-FORCES  9.5124000000e-03 -2.0675000000e-03  8.5750000000e-04 -1.0589900000e-02  5.9500000000e-05 -2.7637000000e-03  1.4799000000e-03  1.7527000000e-03  2.0945000000e-03  1.6018000000e-03 -2.6030000000e-04  4.4219000000e-03 -2.6636000000e-03  3.7786000000e-03 -5.6200000000e-04  6.5940000000e-04 -3.2631000000e-03 -4.0482000000e-03
-
-JOB 528
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6344200000e-01  8.6727600000e-01 -3.0767300000e-01  3.1055500000e-01 -5.9981500000e-01 -6.7823900000e-01 -2.7795350000e+00 -5.2431700000e-01 -6.9489700000e-01 -3.0035790000e+00  1.4936200000e-01 -5.2875000000e-02 -1.8529040000e+00 -7.0625900000e-01 -5.3842100000e-01
-ENERGY -1.526579386301e+02
-FORCES  1.7707000000e-03  3.6465000000e-03 -4.3732000000e-03 -6.9800000000e-04 -4.3293000000e-03  1.7763000000e-03 -5.5055000000e-03  2.4665000000e-03  3.3497000000e-03  9.6609000000e-03  4.7551000000e-03  6.8782000000e-03 -1.2852000000e-03 -1.4767000000e-03 -2.5187000000e-03 -3.9428000000e-03 -5.0621000000e-03 -5.1123000000e-03
-
-JOB 529
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8813800000e-01 -7.5170600000e-01  3.3599400000e-01  6.6808200000e-01  6.6490900000e-01 -1.6671600000e-01  3.9948500000e-01 -5.3904100000e-01  3.2473980000e+00  1.8704000000e-02  1.8007400000e-01  2.7433030000e+00  1.4244600000e-01 -1.3285060000e+00  2.7710480000e+00
-ENERGY -1.526563829330e+02
-FORCES  6.4019000000e-03 -4.8700000000e-04 -1.2555000000e-03 -3.7568000000e-03  2.6707000000e-03 -2.6500000000e-05 -3.4590000000e-03 -2.6663000000e-03  1.1383000000e-03 -5.1066000000e-03  8.0830000000e-04 -4.6837000000e-03  3.1303000000e-03 -2.7145000000e-03  4.1451000000e-03  2.7904000000e-03  2.3887000000e-03  6.8230000000e-04
-
-JOB 530
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8534500000e-01  4.9998900000e-01  2.2243300000e-01  3.2356300000e-01 -7.3756100000e-01 -5.1724500000e-01  1.8091720000e+00  1.1005820000e+00  1.8834300000e+00  2.6920870000e+00  1.4219200000e+00  1.7005750000e+00  1.7888530000e+00  9.8190100000e-01  2.8330270000e+00
-ENERGY -1.526579145271e+02
-FORCES  7.4308000000e-03  1.8508000000e-03  5.2351000000e-03 -3.2773000000e-03 -2.0419000000e-03 -7.8060000000e-03 -3.3010000000e-04  2.6603000000e-03  2.1116000000e-03 -1.2045000000e-03 -1.5437000000e-03  4.7179000000e-03 -4.6901000000e-03 -2.3949000000e-03 -4.5130000000e-04  2.0713000000e-03  1.4694000000e-03 -3.8073000000e-03
-
-JOB 531
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4364100000e-01 -1.0406600000e-01 -1.2224300000e-01 -3.5074300000e-01  6.9926000000e-02 -8.8787500000e-01 -8.6227000000e-01  1.7499000000e-01 -2.8023620000e+00 -1.8051690000e+00  2.1122200000e-01 -2.9631730000e+00 -5.8498800000e-01 -6.5649900000e-01 -3.1870350000e+00
-ENERGY -1.526613769748e+02
-FORCES -2.8200000000e-04  1.8065000000e-03 -1.0410400000e-02 -2.8369000000e-03 -3.3060000000e-04  7.0400000000e-05  2.6564000000e-03 -2.2283000000e-03  1.0123300000e-02 -3.2380000000e-03 -2.6535000000e-03 -3.3930000000e-03  4.9821000000e-03 -8.5420000000e-04  7.7470000000e-04 -1.2816000000e-03  4.2601000000e-03  2.8350000000e-03
-
-JOB 532
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7224500000e-01  6.8042500000e-01 -3.6612000000e-02 -4.3682800000e-01  4.8215000000e-02 -8.5034600000e-01  1.0297840000e+00 -1.8858720000e+00  2.4590090000e+00  1.5640220000e+00 -1.3635230000e+00  1.8607020000e+00  1.6015410000e+00 -2.6061100000e+00  2.7246840000e+00
-ENERGY -1.526536646457e+02
-FORCES -1.2903000000e-03  3.1123000000e-03 -4.4088000000e-03 -1.7705000000e-03 -4.2750000000e-03  1.0175000000e-03  1.9009000000e-03  7.4500000000e-05  3.7035000000e-03  3.2841000000e-03  2.4220000000e-04 -3.4276000000e-03  4.3790000000e-04 -2.0104000000e-03  4.4386000000e-03 -2.5620000000e-03  2.8565000000e-03 -1.3231000000e-03
-
-JOB 533
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1837000000e-01 -2.0767200000e-01 -1.7234100000e-01 -4.5631100000e-01 -8.3653800000e-01 -9.0644000000e-02 -1.0742740000e+00 -2.7212660000e+00  2.2100200000e-01 -1.8706080000e+00 -2.8824990000e+00 -2.8504900000e-01 -4.2283800000e-01 -3.3079660000e+00 -1.6324600000e-01
-ENERGY -1.526599491721e+02
-FORCES -1.4363000000e-03 -1.0527400000e-02  1.1926000000e-03 -2.7137000000e-03  1.9570000000e-04  2.6250000000e-04  3.1971000000e-03  9.4483000000e-03 -3.1101000000e-03 -8.6540000000e-04 -4.8528000000e-03 -1.8132000000e-03  4.8735000000e-03  1.6255000000e-03  2.1036000000e-03 -3.0551000000e-03  4.1108000000e-03  1.3647000000e-03
-
-JOB 534
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1381200000e-01  1.8761400000e-01 -8.8462100000e-01  9.3583100000e-01 -1.6951000000e-01 -1.0825200000e-01  2.6718390000e+00 -4.2857500000e-01 -4.0012800000e-01  2.9320690000e+00 -1.4174000000e-02 -1.2227960000e+00  3.1943740000e+00 -1.2295140000e+00 -3.5906000000e-01
-ENERGY -1.526598278117e+02
-FORCES  1.3434500000e-02 -2.8256000000e-03 -3.4643000000e-03  2.0872000000e-03 -3.1350000000e-04  1.9857000000e-03 -9.2647000000e-03  3.0108000000e-03  8.9900000000e-05 -2.5576000000e-03 -1.6012000000e-03 -9.8550000000e-04 -2.1923000000e-03 -2.9746000000e-03  3.8517000000e-03 -1.5071000000e-03  4.7042000000e-03 -1.4774000000e-03
-
-JOB 535
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8871400000e-01 -1.6933300000e-01 -8.5817200000e-01  5.8927900000e-01 -4.3033500000e-01  6.1951100000e-01 -2.5392910000e+00 -1.1103600000e-01 -7.6493000000e-01 -2.2772850000e+00  4.8018600000e-01 -1.4706510000e+00 -1.7597640000e+00 -1.8843400000e-01 -2.1485900000e-01
-ENERGY -1.526578073236e+02
-FORCES -4.5691000000e-03 -2.5264000000e-03 -4.2079000000e-03 -2.0460000000e-03  1.3534000000e-03  4.6249000000e-03 -3.0057000000e-03  1.6626000000e-03 -4.0317000000e-03  1.6765900000e-02  3.2447000000e-03  5.0687000000e-03 -1.6070000000e-04 -2.2823000000e-03  5.8420000000e-04 -6.9844000000e-03 -1.4520000000e-03 -2.0383000000e-03
-
-JOB 536
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7301400000e-01  6.6872600000e-01  6.2809300000e-01  2.0638000000e-02  4.5543100000e-01 -8.4165800000e-01 -6.2505000000e-02  2.0828760000e+00 -1.8601600000e+00 -9.2778600000e-01  2.1525220000e+00 -2.2634860000e+00  4.2752000000e-02  2.9013270000e+00 -1.3750920000e+00
-ENERGY -1.526588226771e+02
-FORCES -5.1300000000e-04  1.2548700000e-02 -7.7663000000e-03  5.9640000000e-04 -1.7650000000e-03 -4.5960000000e-04 -1.0275000000e-03 -7.7809000000e-03  3.5867000000e-03 -1.7342000000e-03  1.8342000000e-03  3.6051000000e-03  4.3790000000e-03 -8.3540000000e-04  3.2216000000e-03 -1.7008000000e-03 -4.0016000000e-03 -2.1876000000e-03
-
-JOB 537
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7407700000e-01  8.5887700000e-01 -1.9654200000e-01 -7.5089200000e-01 -5.3623200000e-01  2.5465400000e-01  1.8683230000e+00  1.5970930000e+00 -2.0903480000e+00  1.7523270000e+00  1.5141980000e+00 -1.1438250000e+00  1.7790650000e+00  2.5345590000e+00 -2.2618790000e+00
-ENERGY -1.526548053612e+02
-FORCES -5.8135000000e-03 -4.8300000000e-04 -1.0471000000e-03  3.5979000000e-03 -2.5655000000e-03  2.0528000000e-03  2.7952000000e-03  2.4942000000e-03 -1.1742000000e-03  5.7030000000e-04  1.0968000000e-03  3.7974000000e-03 -4.7810000000e-04  3.5715000000e-03 -4.7118000000e-03 -6.7180000000e-04 -4.1140000000e-03  1.0829000000e-03
-
-JOB 538
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5262700000e-01 -5.6507000000e-02  7.4441000000e-02  2.3687800000e-01 -7.1163600000e-01 -5.9472300000e-01  1.1338200000e-01  2.5605700000e+00 -9.2174600000e-01  6.5173100000e-01  3.0322250000e+00 -2.8617200000e-01  1.6682500000e-01  1.6446780000e+00 -6.4876800000e-01
-ENERGY -1.526612196564e+02
-FORCES -2.5537000000e-03  1.0733000000e-03 -2.6841000000e-03  5.8598000000e-03  7.2050000000e-04 -1.5262000000e-03 -2.0808000000e-03  4.0820000000e-03  2.9051000000e-03  2.2078000000e-03 -1.3585300000e-02  6.7746000000e-03 -1.5003000000e-03 -1.9600000000e-03 -1.3942000000e-03 -1.9327000000e-03  9.6696000000e-03 -4.0753000000e-03
-
-JOB 539
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8095600000e-01  2.2960200000e-01  8.4757700000e-01  8.5912100000e-01  4.2207000000e-01  7.8300000000e-04 -4.5420100000e-01 -2.7656850000e+00 -1.4022540000e+00 -3.9152100000e-01 -3.6912750000e+00 -1.1664910000e+00 -5.4129800000e-01 -2.7662040000e+00 -2.3554840000e+00
-ENERGY -1.526510177658e+02
-FORCES  1.8845000000e-03  1.0008000000e-03  3.3300000000e-03  1.5019000000e-03 -1.0344000000e-03 -3.5518000000e-03 -3.6205000000e-03 -1.7457000000e-03 -3.8490000000e-04 -1.0570000000e-04 -2.5472000000e-03 -3.0795000000e-03 -2.0880000000e-04  4.3624000000e-03 -3.7430000000e-04  5.4860000000e-04 -3.5800000000e-05  4.0606000000e-03
-
-JOB 540
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4031600000e-01 -6.3289500000e-01  6.7670100000e-01 -8.3544600000e-01  2.8164400000e-01 -3.7274400000e-01 -2.6340610000e+00  2.7935700000e-01  1.9436400000e+00 -2.2917160000e+00 -6.0577700000e-01  1.8188630000e+00 -3.2771250000e+00  3.8891300000e-01  1.2431410000e+00
-ENERGY -1.526516167064e+02
-FORCES -5.8208000000e-03  1.1927000000e-03  3.7445000000e-03 -1.7860000000e-04  2.7790000000e-04 -2.4878000000e-03  3.0719000000e-03 -2.2922000000e-03 -2.9700000000e-04 -2.1326000000e-03 -2.7653000000e-03 -2.2614000000e-03  1.0474000000e-03  3.9914000000e-03 -1.0667000000e-03  4.0127000000e-03 -4.0440000000e-04  2.3685000000e-03
-
-JOB 541
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3799200000e-01  4.4071000000e-02 -1.8563500000e-01  2.2357800000e-01  8.7557600000e-01  3.1561400000e-01  1.3657480000e+00 -2.2852100000e+00 -2.7371810000e+00  4.9150200000e-01 -2.1074220000e+00 -3.0840480000e+00  1.8077190000e+00 -2.7674100000e+00 -3.4360210000e+00
-ENERGY -1.526525694399e+02
-FORCES -2.2581000000e-03  3.8637000000e-03  7.2120000000e-04  3.8378000000e-03 -4.5750000000e-04  2.5750000000e-04 -1.0314000000e-03 -3.6638000000e-03 -1.1887000000e-03 -2.2847000000e-03 -7.0440000000e-04 -3.6906000000e-03  3.3832000000e-03 -1.1610000000e-03  8.0780000000e-04 -1.6468000000e-03  2.1229000000e-03  3.0927000000e-03
-
-JOB 542
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6766300000e-01  2.6221400000e-01 -8.8081300000e-01 -8.1479000000e-01  4.7770000000e-01  1.5541000000e-01  3.1737820000e+00 -1.1591570000e+00  9.1952300000e-01  3.8724170000e+00 -1.8003590000e+00  7.8913600000e-01  2.3925920000e+00 -1.6862050000e+00  1.0874310000e+00
-ENERGY -1.526556300766e+02
-FORCES -1.4436000000e-03  4.1492000000e-03 -3.3050000000e-03 -2.2391000000e-03 -1.2123000000e-03  3.3016000000e-03  3.3510000000e-03 -1.9893000000e-03 -7.1010000000e-04 -2.1208000000e-03 -4.3203000000e-03  6.6400000000e-04 -2.8780000000e-03  2.7111000000e-03  2.5680000000e-04  5.3304000000e-03  6.6150000000e-04 -2.0720000000e-04
-
-JOB 543
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3713700000e-01  1.8847500000e-01 -6.8903200000e-01 -6.1915300000e-01  7.2890400000e-01 -3.9751000000e-02  1.8084200000e+00  6.2072800000e-01  1.8634110000e+00  1.2769080000e+00  5.1451000000e-01  1.0744590000e+00  1.3362190000e+00  1.2694400000e+00  2.3853590000e+00
-ENERGY -1.526543119998e+02
-FORCES  1.6995000000e-03  3.1545000000e-03  2.1382000000e-03 -9.1080000000e-04  9.6130000000e-04  9.7336000000e-03  5.0860000000e-03 -3.2952000000e-03  1.5715000000e-03 -1.5596600000e-02 -4.0684000000e-03 -9.8970000000e-03  9.0660000000e-03  4.8057000000e-03 -1.3256000000e-03  6.5590000000e-04 -1.5580000000e-03 -2.2207000000e-03
-
-JOB 544
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3839500000e-01  6.0743900000e-01  4.4971000000e-02  4.8895000000e-01  2.7364600000e-01 -7.7606500000e-01 -2.7497700000e-01  2.9428280000e+00 -1.6857920000e+00 -4.5939800000e-01  3.6688530000e+00 -1.0898830000e+00  6.7644100000e-01  2.8425130000e+00 -1.6546180000e+00
-ENERGY -1.526565392838e+02
-FORCES -2.7518000000e-03  5.4018000000e-03 -5.0024000000e-03  2.4263000000e-03 -3.7342000000e-03  2.3692000000e-03  7.1880000000e-04 -1.6379000000e-03  3.1515000000e-03  3.5351000000e-03  4.9123000000e-03  1.9716000000e-03  5.6360000000e-04 -3.6191000000e-03 -2.5051000000e-03 -4.4921000000e-03 -1.3230000000e-03  1.5300000000e-05
-
-JOB 545
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4797800000e-01  1.8934700000e-01 -9.0492300000e-01 -6.6050600000e-01  4.4786700000e-01  5.2856300000e-01 -3.3111100000e-01  3.0941700000e-01 -2.5672860000e+00 -2.0994600000e-01  1.2463160000e+00 -2.4131110000e+00  1.1198000000e-02  1.6513100000e-01 -3.4494640000e+00
-ENERGY -1.526539871779e+02
-FORCES -2.8395000000e-03 -2.1044000000e-03 -1.4576000000e-02 -6.0200000000e-04  9.7658000000e-03  4.0453000000e-03  1.7366000000e-03 -5.5500000000e-05 -4.4841000000e-03  5.1023000000e-03 -3.0411000000e-03  7.2786000000e-03 -1.3126000000e-03 -7.6477000000e-03  4.1405000000e-03 -2.0849000000e-03  3.0830000000e-03  3.5958000000e-03
-
-JOB 546
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4056000000e-02 -1.0778700000e-01 -9.5050200000e-01 -1.3791800000e-01 -8.8152700000e-01  3.4658500000e-01  4.4468500000e-01 -3.1601900000e-01 -2.6528720000e+00  1.3845830000e+00 -1.5467200000e-01 -2.5704720000e+00  6.8036000000e-02  5.4562100000e-01 -2.8316020000e+00
-ENERGY -1.526588292943e+02
-FORCES  1.2043000000e-03 -6.3230000000e-03 -1.5384500000e-02 -1.9297000000e-03  6.6490000000e-03  7.7232000000e-03  8.7030000000e-04  2.3132000000e-03 -1.4744000000e-03  4.1746000000e-03  3.5058000000e-03  3.5949000000e-03 -5.8418000000e-03 -5.6240000000e-04 -1.1570000000e-04  1.5222000000e-03 -5.5825000000e-03  5.6564000000e-03
-
-JOB 547
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8143100000e-01  3.1771200000e-01  1.9588300000e-01  1.3669900000e-01 -7.2988900000e-01 -6.0399300000e-01  2.6845600000e-01 -2.0174880000e+00 -1.6518260000e+00  9.6462100000e-01 -2.2657800000e+00 -2.2600510000e+00 -5.1374000000e-01 -1.9454750000e+00 -2.1988310000e+00
-ENERGY -1.526583289784e+02
-FORCES  5.3922000000e-03 -1.4650300000e-02 -1.1212100000e-02 -1.6884000000e-03 -1.5939000000e-03 -1.3313000000e-03 -4.6850000000e-03  6.5227000000e-03  3.8189000000e-03  1.2630000000e-04  8.3476000000e-03  3.3263000000e-03 -4.4726000000e-03  9.3100000000e-04  2.1756000000e-03  5.3276000000e-03  4.4310000000e-04  3.2226000000e-03
-
-JOB 548
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0004000000e-02 -4.2079000000e-01 -8.5502400000e-01 -2.0477100000e-01 -6.9077800000e-01  6.3018000000e-01  2.8759480000e+00  5.1535100000e-01 -3.6287500000e-01  3.3082280000e+00 -2.6463900000e-01 -1.5052000000e-02  1.9551240000e+00  4.0523700000e-01 -1.2582900000e-01
-ENERGY -1.526608583548e+02
-FORCES -3.5555000000e-03 -4.3546000000e-03 -1.4039000000e-03  1.6471000000e-03  1.8275000000e-03  5.3015000000e-03  2.0069000000e-03  3.0379000000e-03 -3.6303000000e-03 -8.6042000000e-03 -2.9152000000e-03  3.7551000000e-03 -2.0258000000e-03  2.0400000000e-03 -1.1214000000e-03  1.0531600000e-02  3.6450000000e-04 -2.9009000000e-03
-
-JOB 549
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4270900000e-01  4.3999900000e-01 -4.1354000000e-01  6.1107000000e-02 -9.0698800000e-01 -2.9978500000e-01 -5.5667500000e-01  2.5719100000e-01  2.7533090000e+00  3.9501400000e-01  2.1069100000e-01  2.8447330000e+00 -7.1979800000e-01  4.9735000000e-02  1.8332090000e+00
-ENERGY -1.526588809170e+02
-FORCES  3.2292000000e-03  1.0538000000e-03  2.9060000000e-04 -2.8916000000e-03 -3.4167000000e-03  1.3932000000e-03 -9.2700000000e-05  4.6599000000e-03  2.6681000000e-03  5.6376000000e-03 -5.1230000000e-04 -1.2445800000e-02 -1.9825000000e-03  2.9840000000e-04  1.4867000000e-03 -3.9000000000e-03 -2.0831000000e-03  6.6071000000e-03
-
-JOB 550
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4911200000e-01 -1.0904000000e-01  4.2819600000e-01 -5.4221400000e-01 -7.0187700000e-01  3.6000500000e-01  1.0652660000e+00  1.3564930000e+00 -2.2954520000e+00  2.0038190000e+00  1.3459720000e+00 -2.4831760000e+00  9.6444800000e-01  7.7331600000e-01 -1.5431400000e+00
-ENERGY -1.526570901162e+02
-FORCES -2.0336000000e-03 -3.3261000000e-03  2.3838000000e-03 -3.1184000000e-03  1.2188000000e-03 -6.0972000000e-03  3.0917000000e-03  3.5046000000e-03 -1.6430000000e-04 -2.3610000000e-03 -4.4537000000e-03  5.1464000000e-03 -3.4051000000e-03 -8.6710000000e-04  2.3130000000e-03  7.8265000000e-03  3.9235000000e-03 -3.5818000000e-03
-
-JOB 551
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0542200000e-01 -8.4078800000e-01  3.4062400000e-01  5.7185900000e-01  6.4778100000e-01  4.1181100000e-01 -7.8181100000e-01  1.6872830000e+00 -2.2132900000e+00 -4.8787400000e-01  1.0251410000e+00 -1.5876700000e+00 -1.5242230000e+00  1.2815950000e+00 -2.6610330000e+00
-ENERGY -1.526611509393e+02
-FORCES  2.7543000000e-03 -1.1204000000e-03  2.2010000000e-03 -9.7930000000e-04  4.3930000000e-03 -1.7140000000e-04 -2.7546000000e-03 -3.8364000000e-03 -3.1080000000e-03 -5.5660000000e-04 -8.2172000000e-03  5.3872000000e-03 -7.3460000000e-04  7.7862000000e-03 -5.4408000000e-03  2.2709000000e-03  9.9480000000e-04  1.1319000000e-03
-
-JOB 552
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4553500000e-01 -2.2970400000e-01  5.5465700000e-01  1.7057400000e-01  9.0244000000e-01 -2.6969900000e-01  1.7703460000e+00 -9.0014200000e-01  2.0991970000e+00  1.8577830000e+00 -2.5972700000e-01  2.8052110000e+00  2.6584990000e+00 -1.0034160000e+00  1.7575100000e+00
-ENERGY -1.526599446552e+02
-FORCES  6.5763000000e-03 -1.3886000000e-03  7.1213000000e-03 -4.2359000000e-03  4.2284000000e-03 -9.4273000000e-03  3.3780000000e-04 -2.9839000000e-03  1.8357000000e-03  2.5933000000e-03  1.0118000000e-03  4.2895000000e-03  3.7290000000e-04 -2.9750000000e-03 -4.2500000000e-03 -5.6443000000e-03  2.1073000000e-03  4.3070000000e-04
-
-JOB 553
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3650500000e-01  6.0092300000e-01 -3.8727900000e-01  3.0450000000e-02  2.4585400000e-01  9.2458700000e-01  2.7145490000e+00  1.3352850000e+00 -9.2669000000e-01  2.2126640000e+00  8.4341500000e-01 -1.5766190000e+00  3.5205600000e+00  1.5803610000e+00 -1.3811300000e+00
-ENERGY -1.526556118311e+02
-FORCES -7.8260000000e-04  4.6352000000e-03  4.3072000000e-03  2.8708000000e-03 -2.7030000000e-03  6.7110000000e-04 -1.7436000000e-03 -1.6488000000e-03 -3.3889000000e-03 -7.0660000000e-04 -2.9837000000e-03 -3.9471000000e-03  3.9765000000e-03  3.8855000000e-03  3.0680000000e-04 -3.6145000000e-03 -1.1852000000e-03  2.0509000000e-03
-
-JOB 554
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5784300000e-01 -1.5173300000e-01 -9.3182300000e-01 -4.9301900000e-01 -7.6822000000e-01  2.8810200000e-01  2.1634720000e+00 -1.6378650000e+00  2.3039920000e+00  1.5440380000e+00 -2.0153270000e+00  2.9285360000e+00  2.9133440000e+00 -1.3760060000e+00  2.8381770000e+00
-ENERGY -1.526527638560e+02
-FORCES  4.8300000000e-04 -5.0072000000e-03 -1.6697000000e-03 -8.8940000000e-04  9.4840000000e-04  3.4638000000e-03  6.0630000000e-04  3.2764000000e-03 -1.2550000000e-03  7.2150000000e-04  9.2650000000e-04  4.7499000000e-03  2.0395000000e-03  1.2188000000e-03 -3.0678000000e-03 -2.9609000000e-03 -1.3628000000e-03 -2.2212000000e-03
-
-JOB 555
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2077000000e-01  2.9372000000e-02 -9.3093000000e-01  5.7360400000e-01  7.5439500000e-01  1.3453100000e-01 -2.0098290000e+00  1.1746560000e+00  1.7369290000e+00 -1.3324240000e+00  5.7243200000e-01  1.4292280000e+00 -2.6303810000e+00  1.2294020000e+00  1.0101900000e+00
-ENERGY -1.526597137259e+02
-FORCES  4.2280000000e-04  4.3301000000e-03 -3.8133000000e-03  1.1276000000e-03  4.2440000000e-04  4.2976000000e-03 -3.8484000000e-03 -4.0387000000e-03 -1.8760000000e-04  4.5368000000e-03 -6.2859000000e-03 -8.9670000000e-03 -3.4344000000e-03  4.9234000000e-03  6.5117000000e-03  1.1955000000e-03  6.4670000000e-04  2.1587000000e-03
-
-JOB 556
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5872200000e-01 -6.0700200000e-01  4.8539700000e-01  5.5646100000e-01  3.2445600000e-01 -7.0803300000e-01  8.0321700000e-01  1.5152120000e+00 -2.1152090000e+00  1.7417840000e+00  1.6284530000e+00 -2.2652100000e+00  4.4507000000e-01  2.4019790000e+00 -2.1552860000e+00
-ENERGY -1.526589487317e+02
-FORCES  3.7787000000e-03  5.7972000000e-03 -9.1725000000e-03 -1.3580000000e-04  3.0225000000e-03 -3.2876000000e-03  6.8020000000e-04 -7.0844000000e-03  7.8682000000e-03 -2.8580000000e-03  3.5001000000e-03  3.4149000000e-03 -4.7587000000e-03 -1.6152000000e-03  2.5987000000e-03  3.2937000000e-03 -3.6202000000e-03 -1.4218000000e-03
-
-JOB 557
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8329600000e-01 -4.8375400000e-01  8.0536700000e-01 -6.2260400000e-01  6.7762000000e-01  2.6349000000e-01  2.0007540000e+00  1.5232600000e-01 -1.7497900000e+00  1.3349310000e+00 -9.2669000000e-02 -1.1072250000e+00  2.2832070000e+00 -6.7878900000e-01 -2.1314970000e+00
-ENERGY -1.526589863379e+02
-FORCES  3.9883000000e-03  4.6482000000e-03 -3.5130000000e-03 -4.0970000000e-04  2.4976000000e-03 -4.7596000000e-03  2.2310000000e-03 -4.5432000000e-03  1.0795000000e-03 -1.1687200000e-02 -1.0547000000e-03  8.3837000000e-03  8.0871000000e-03 -3.2066000000e-03 -4.1678000000e-03 -2.2094000000e-03  1.6587000000e-03  2.9773000000e-03
-
-JOB 558
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5357600000e-01 -9.2426000000e-01 -1.9593400000e-01  5.7276300000e-01  1.8598400000e-01  7.4403200000e-01 -2.1810020000e+00  1.3977110000e+00 -3.3133800000e-01 -2.6662940000e+00  1.2080770000e+00 -1.1343080000e+00 -1.4548080000e+00  7.7413800000e-01 -3.3687900000e-01
-ENERGY -1.526585940290e+02
-FORCES -7.5830000000e-03  5.6899000000e-03  2.0610000000e-03 -5.7430000000e-04  4.8422000000e-03  1.3319000000e-03 -1.5523000000e-03 -3.2183000000e-03 -4.1063000000e-03  1.4327300000e-02 -9.1535000000e-03  1.2892000000e-03  3.0511000000e-03 -1.5088000000e-03  2.1028000000e-03 -7.6688000000e-03  3.3485000000e-03 -2.6787000000e-03
-
-JOB 559
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2946500000e-01 -3.1035400000e-01 -8.9618700000e-01  6.8437500000e-01  6.6524100000e-01 -7.2917000000e-02  8.8376900000e-01 -1.5232140000e+00  2.1792160000e+00  2.5308600000e-01 -1.9297980000e+00  2.7734890000e+00  3.4821300000e-01 -1.1533080000e+00  1.4773760000e+00
-ENERGY -1.526617464266e+02
-FORCES  4.4728000000e-03  6.6210000000e-04 -1.4495000000e-03  9.5980000000e-04  1.9650000000e-03  4.0727000000e-03 -3.8747000000e-03 -3.1883000000e-03 -1.0950000000e-03 -5.4476000000e-03  4.7529000000e-03 -7.2129000000e-03  1.0197000000e-03  1.6735000000e-03 -3.0490000000e-03  2.8701000000e-03 -5.8651000000e-03  8.7337000000e-03
-
-JOB 560
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4800000000e-02 -2.9018300000e-01 -9.0820400000e-01 -9.3098900000e-01  1.9718400000e-01  1.0300400000e-01 -2.8784570000e+00  5.1007200000e-01 -1.3022290000e+00 -2.5523130000e+00  1.4080510000e+00 -1.2431190000e+00 -3.8287110000e+00  5.9421800000e-01 -1.2236840000e+00
-ENERGY -1.526585512978e+02
-FORCES -6.4080000000e-03 -2.5544000000e-03 -4.4370000000e-03  1.4938000000e-03  1.6260000000e-03  3.2843000000e-03  6.1922000000e-03  2.2761000000e-03  1.7375000000e-03 -5.0317000000e-03  3.9475000000e-03 -1.3577000000e-03 -6.5450000000e-04 -5.4936000000e-03  1.2886000000e-03  4.4082000000e-03  1.9830000000e-04 -5.1560000000e-04
-
-JOB 561
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5264500000e-01 -5.1689900000e-01  5.8620000000e-01  5.7222700000e-01  2.2386600000e-01 -7.3394300000e-01 -1.7574650000e+00 -6.6970800000e-01  2.3959680000e+00 -1.7760460000e+00 -1.5169540000e+00  1.9509270000e+00 -8.7107300000e-01 -6.0470400000e-01  2.7513760000e+00
-ENERGY -1.526509242933e+02
-FORCES  4.1328000000e-03 -7.3780000000e-04  8.6700000000e-05 -2.6939000000e-03  1.4275000000e-03 -1.2580000000e-03 -3.2514000000e-03 -9.0400000000e-04  3.5880000000e-03  3.6806000000e-03 -1.3265000000e-03 -3.7364000000e-03  5.6220000000e-04  2.7021000000e-03  3.0266000000e-03 -2.4303000000e-03 -1.1614000000e-03 -1.7069000000e-03
-
-JOB 562
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5980400000e-01 -4.3681900000e-01  8.1112500000e-01 -7.7347000000e-01  5.1052000000e-01  2.3946900000e-01 -1.3250020000e+00 -2.3081650000e+00 -1.1345680000e+00 -1.6693690000e+00 -1.9124630000e+00 -1.9352330000e+00 -7.9109000000e-01 -1.6201730000e+00 -7.3728100000e-01
-ENERGY -1.526604679953e+02
-FORCES -1.9631000000e-03  2.3400000000e-03  4.7688000000e-03 -2.9371000000e-03  6.0270000000e-04 -5.8451000000e-03  3.8485000000e-03 -3.5498000000e-03 -1.7126000000e-03  5.6355000000e-03  1.0807400000e-02  3.7020000000e-04  3.4090000000e-04 -1.0413000000e-03  2.6030000000e-03 -4.9246000000e-03 -9.1590000000e-03 -1.8430000000e-04
-
-JOB 563
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1794200000e-01 -2.2589700000e-01 -4.4291400000e-01  1.9414200000e-01  8.1614600000e-01  4.6092000000e-01 -1.3735340000e+00  1.5612500000e+00 -1.9366490000e+00 -2.2451950000e+00  1.3576300000e+00 -2.2757340000e+00 -1.0270960000e+00  7.1842300000e-01 -1.6436370000e+00
-ENERGY -1.526598385134e+02
-FORCES  3.0015000000e-03  5.9853000000e-03  2.2961000000e-03 -5.4122000000e-03  1.7649000000e-03  2.0500000000e-04  2.9010000000e-04 -5.0320000000e-03 -1.6516000000e-03  1.3313000000e-03 -7.2815000000e-03  5.3768000000e-03  3.2719000000e-03 -3.4100000000e-04  1.8635000000e-03 -2.4825000000e-03  4.9044000000e-03 -8.0898000000e-03
-
-JOB 564
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0706000000e-01 -9.5115000000e-01  9.1770000000e-03  5.8918400000e-01  1.8225900000e-01  7.3203500000e-01  3.0452170000e+00 -4.6769500000e-01  8.0447000000e-02  2.8395730000e+00  3.2780800000e-01 -4.1058800000e-01  3.8000560000e+00 -2.2917700000e-01  6.1855500000e-01
-ENERGY -1.526574972722e+02
-FORCES  5.2222000000e-03 -5.9437000000e-03  3.6059000000e-03 -1.4787000000e-03  3.6638000000e-03 -1.6410000000e-04 -3.8960000000e-03  2.2067000000e-03 -2.6346000000e-03  2.3199000000e-03  3.7980000000e-03 -3.0241000000e-03  2.1389000000e-03 -3.1024000000e-03  4.0600000000e-03 -4.3064000000e-03 -6.2230000000e-04 -1.8432000000e-03
-
-JOB 565
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0600100000e-01  3.4083000000e-02  3.0697200000e-01 -4.0692100000e-01 -6.8626100000e-01  5.2886000000e-01 -8.6594600000e-01  2.3782210000e+00  7.8983500000e-01 -8.0524100000e-01  1.4681660000e+00  4.9941200000e-01 -4.5944400000e-01  2.8826350000e+00  8.5169000000e-02
-ENERGY -1.526583173647e+02
-FORCES  1.8128000000e-03  6.5482000000e-03  5.6941000000e-03 -4.8728000000e-03 -1.0233000000e-03 -1.8659000000e-03  1.6630000000e-03  5.8646000000e-03 -1.8083000000e-03  6.3954000000e-03 -1.6003700000e-02 -9.1581000000e-03 -4.8694000000e-03  5.9220000000e-03  4.9336000000e-03 -1.2910000000e-04 -1.3079000000e-03  2.2046000000e-03
-
-JOB 566
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3324700000e-01 -3.8224000000e-02 -7.1677700000e-01  1.9571600000e-01  9.3185100000e-01  9.7883000000e-02  2.5103890000e+00 -1.4769320000e+00 -1.2233210000e+00  1.7751350000e+00 -1.4424040000e+00 -6.1140400000e-01  2.8582930000e+00 -2.3638400000e+00 -1.1306530000e+00
-ENERGY -1.526599518024e+02
-FORCES -2.0099000000e-03  5.9473000000e-03 -2.9673000000e-03  2.7031000000e-03  1.8000000000e-05  3.4650000000e-03 -1.8825000000e-03 -3.8422000000e-03 -2.9590000000e-04 -3.6399000000e-03 -8.9620000000e-04  4.1127000000e-03  6.7566000000e-03 -4.4765000000e-03 -4.2824000000e-03 -1.9274000000e-03  3.2497000000e-03 -3.2100000000e-05
-
-JOB 567
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1525000000e-01 -1.0983300000e-01  2.5784800000e-01  4.7069900000e-01 -6.7136100000e-01  4.9391100000e-01 -9.2466000000e-01 -1.7633050000e+00  2.0900870000e+00 -5.7380300000e-01 -1.0219720000e+00  2.5836030000e+00 -5.2863600000e-01 -2.5328330000e+00  2.4990160000e+00
-ENERGY -1.526570108798e+02
-FORCES -5.1654000000e-03 -9.5909000000e-03  5.2765000000e-03  2.3849000000e-03  4.2792000000e-03 -1.0824000000e-03  2.7393000000e-03  4.3289000000e-03 -6.9050000000e-04  1.4567000000e-03  3.2620000000e-04  3.3281000000e-03 -8.4490000000e-04 -3.6819000000e-03 -4.4783000000e-03 -5.7060000000e-04  4.3385000000e-03 -2.3533000000e-03
-
-JOB 568
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.7423000000e-02  9.4653600000e-01 -1.0397700000e-01 -3.2926400000e-01 -1.1082300000e-01  8.9192800000e-01  2.5533960000e+00 -1.0433750000e+00  8.1309000000e-02  1.7266560000e+00 -6.2028600000e-01 -1.5048300000e-01  3.2130880000e+00 -5.7995700000e-01 -4.3471600000e-01
-ENERGY -1.526601866840e+02
-FORCES  1.1860000000e-03  5.7750000000e-04  5.6278000000e-03  1.5688000000e-03 -5.5345000000e-03  4.5070000000e-04  1.1260000000e-03  1.7372000000e-03 -4.9394000000e-03 -1.1497100000e-02  4.7209000000e-03 -2.2992000000e-03  1.1390900000e-02 -1.5880000000e-03 -2.0720000000e-04 -3.7746000000e-03  8.6900000000e-05  1.3672000000e-03
-
-JOB 569
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3499900000e-01 -3.7418000000e-01 -6.9999800000e-01 -7.6040000000e-03 -6.6432600000e-01  6.8909000000e-01 -1.4094030000e+00 -7.9076300000e-01 -2.1159660000e+00 -2.2434390000e+00 -1.1963470000e+00 -1.8790770000e+00 -8.6484600000e-01 -1.5189150000e+00 -2.4151050000e+00
-ENERGY -1.526581611310e+02
-FORCES -1.0236400000e-02 -5.0364000000e-03 -1.3039300000e-02  7.0323000000e-03 -7.2090000000e-04  8.9239000000e-03 -1.3844000000e-03  7.0950000000e-04 -3.8439000000e-03  1.5045000000e-03 -7.0620000000e-04  3.1165000000e-03  5.9866000000e-03  1.4891000000e-03 -1.8800000000e-05 -2.9025000000e-03  4.2650000000e-03  4.8616000000e-03
-
-JOB 570
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8651600000e-01 -7.0383600000e-01  2.7721000000e-01 -1.2124200000e-01 -1.4427600000e-01 -9.3846500000e-01  1.3757060000e+00 -2.2226610000e+00  7.9758200000e-01  2.2724100000e+00 -2.4102880000e+00  5.2018400000e-01  8.8858200000e-01 -3.0201850000e+00  5.9046600000e-01
-ENERGY -1.526602468886e+02
-FORCES  7.7873000000e-03 -1.2184200000e-02  2.2906000000e-03 -4.5773000000e-03  8.2648000000e-03 -3.2807000000e-03  5.8400000000e-04 -5.1710000000e-04  2.6610000000e-03 -2.1945000000e-03  1.1450000000e-04 -2.4147000000e-03 -5.3167000000e-03  5.0320000000e-04  5.5570000000e-04  3.7172000000e-03  3.8188000000e-03  1.8810000000e-04
-
-JOB 571
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5376800000e-01 -7.6620700000e-01 -1.5000000000e-01 -6.8813000000e-01 -3.1252400000e-01  5.8739900000e-01  8.5551500000e-01  3.9120670000e+00  1.6394200000e-01  8.1643000000e-02  3.8200750000e+00 -3.9183700000e-01  1.4825520000e+00  4.3937320000e+00 -3.7555200000e-01
-ENERGY -1.526536947498e+02
-FORCES  1.4380000000e-04 -4.2188000000e-03  2.5279000000e-03 -2.3897000000e-03  3.0152000000e-03  4.3920000000e-04  2.5825000000e-03  1.2635000000e-03 -2.6904000000e-03 -8.9980000000e-04  4.0000000000e-06 -4.8365000000e-03  2.9124000000e-03  1.7143000000e-03  2.3186000000e-03 -2.3492000000e-03 -1.7783000000e-03  2.2412000000e-03
-
-JOB 572
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0476600000e-01 -7.1633600000e-01 -1.9326700000e-01  5.6394800000e-01  7.6355700000e-01  1.2318800000e-01  1.0386250000e+00 -2.5378800000e+00 -9.5295000000e-02  1.8927880000e+00 -2.7879530000e+00  2.5698400000e-01  4.0851400000e-01 -2.8727890000e+00  5.4269300000e-01
-ENERGY -1.526606415138e+02
-FORCES  6.5984000000e-03 -9.6285000000e-03 -1.5599000000e-03 -3.6735000000e-03  1.0175200000e-02  1.2168000000e-03 -3.2630000000e-04 -3.8415000000e-03 -3.0910000000e-04 -2.7586000000e-03  2.7490000000e-04  4.9779000000e-03 -4.3386000000e-03  2.0543000000e-03 -1.1501000000e-03  4.4987000000e-03  9.6570000000e-04 -3.1754000000e-03
-
-JOB 573
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3313700000e-01 -1.8816800000e-01 -8.3259600000e-01  4.5004200000e-01 -8.1407900000e-01  2.2576400000e-01 -1.8592020000e+00 -2.9665300000e-01 -2.0395300000e+00 -1.7132680000e+00  7.0080000000e-02 -2.9115640000e+00 -2.1228110000e+00 -1.2025280000e+00 -2.2011850000e+00
-ENERGY -1.526596432792e+02
-FORCES -7.5031000000e-03 -2.6056000000e-03 -8.8576000000e-03  8.6678000000e-03 -1.5400000000e-04  6.5907000000e-03 -2.5194000000e-03  1.8186000000e-03 -1.8285000000e-03 -1.0645000000e-03 -1.0513000000e-03 -1.3690000000e-03 -2.4850000000e-04 -2.6858000000e-03  4.8110000000e-03  2.6677000000e-03  4.6780000000e-03  6.5340000000e-04
-
-JOB 574
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5133400000e-01 -8.9838000000e-02  5.5894000000e-02  1.3668600000e-01  7.4720700000e-01 -5.8243600000e-01 -1.3670480000e+00 -2.6777160000e+00 -1.5286480000e+00 -1.7782150000e+00 -2.1249810000e+00 -8.6407500000e-01 -1.4266940000e+00 -2.1669750000e+00 -2.3360000000e+00
-ENERGY -1.526508187168e+02
-FORCES -2.4066000000e-03  2.5933000000e-03 -2.3335000000e-03  2.7264000000e-03 -1.6335000000e-03 -1.1374000000e-03 -7.2870000000e-04 -3.5051000000e-03  2.3381000000e-03  6.2750000000e-04  5.3932000000e-03  6.1000000000e-06  2.4140000000e-04 -7.1320000000e-04 -1.9856000000e-03 -4.5990000000e-04 -2.1347000000e-03  3.1123000000e-03
-
-JOB 575
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2190200000e-01 -3.7648800000e-01  3.1458800000e-01  5.2332600000e-01 -7.5560800000e-01 -2.6724100000e-01  1.7319510000e+00  7.8164000000e-01  2.0628860000e+00  1.0964400000e+00  5.1550800000e-01  1.3984070000e+00  1.5356850000e+00  1.7040390000e+00  2.2268730000e+00
-ENERGY -1.526612714255e+02
-FORCES -6.5010000000e-04 -3.8357000000e-03  4.6200000000e-05  4.9487000000e-03  1.8495000000e-03 -1.2433000000e-03 -2.7145000000e-03  4.6681000000e-03  3.5649000000e-03 -9.2236000000e-03  1.5600000000e-04 -9.7188000000e-03  7.6684000000e-03 -1.0760000000e-04  7.8066000000e-03 -2.8900000000e-05 -2.7303000000e-03 -4.5550000000e-04
-
-JOB 576
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5073000000e-01 -7.4906600000e-01 -3.8983900000e-01 -4.0045300000e-01  4.5216700000e-01 -7.4257200000e-01  1.1375620000e+00 -2.1738380000e+00 -1.0171460000e+00  6.6191500000e-01 -2.8817700000e+00 -5.8260800000e-01  2.0352300000e+00 -2.2546260000e+00 -6.9481400000e-01
-ENERGY -1.526602038710e+02
-FORCES  7.6150000000e-03 -1.3985600000e-02 -9.7087000000e-03 -4.2390000000e-03  7.5600000000e-03  5.8590000000e-03  1.3812000000e-03 -2.1565000000e-03  1.3987000000e-03 -2.1116000000e-03  3.0957000000e-03  5.0444000000e-03  3.1805000000e-03  4.8040000000e-03 -1.7683000000e-03 -5.8260000000e-03  6.8230000000e-04 -8.2510000000e-04
-
-JOB 577
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2462200000e-01  4.4200500000e-01 -5.7507500000e-01 -4.1496600000e-01 -8.3750100000e-01  2.0646500000e-01 -1.1284860000e+00 -2.3193770000e+00  5.8153800000e-01 -6.6943700000e-01 -3.1468340000e+00  4.3724900000e-01 -1.5966660000e+00 -2.4454100000e+00  1.4068590000e+00
-ENERGY -1.526601201376e+02
-FORCES -8.7143000000e-03 -1.4958600000e-02  2.5760000000e-03  8.6420000000e-04 -2.0247000000e-03  1.8753000000e-03  3.5516000000e-03  7.9095000000e-03 -2.0949000000e-03  4.8995000000e-03  6.0568000000e-03  1.2960000000e-04 -3.2541000000e-03  3.7357000000e-03  2.0223000000e-03  2.6531000000e-03 -7.1870000000e-04 -4.5082000000e-03
-
-JOB 578
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8662500000e-01 -5.6941000000e-02  5.4241200000e-01  5.8479100000e-01  5.8172400000e-01  4.8564300000e-01 -2.7606810000e+00 -4.1675100000e-01 -1.0869910000e+00 -3.0004780000e+00 -1.3241060000e+00 -1.2752340000e+00 -1.8955390000e+00 -3.1017200000e-01 -1.4824690000e+00
-ENERGY -1.526604400236e+02
-FORCES -1.8609000000e-03  1.9636000000e-03  4.7329000000e-03  6.2953000000e-03  5.4820000000e-04 -2.1897000000e-03 -3.0238000000e-03 -2.3702000000e-03 -1.2344000000e-03  4.1108000000e-03 -2.3568000000e-03 -4.2205000000e-03  1.2645000000e-03  3.5203000000e-03  1.0936000000e-03 -6.7859000000e-03 -1.3051000000e-03  1.8180000000e-03
-
-JOB 579
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2279400000e-01  7.9349000000e-01 -1.1529200000e-01 -5.1433400000e-01  1.6421400000e-01  7.9039600000e-01 -2.1949400000e-01 -2.7631700000e+00  8.1685100000e-01 -1.1758110000e+00 -2.7913630000e+00  8.4674500000e-01 -1.7075000000e-02 -1.9276800000e+00  3.9588300000e-01
-ENERGY -1.526599143715e+02
-FORCES  1.7597000000e-03  3.4878000000e-03  2.3557000000e-03 -3.4863000000e-03 -2.6743000000e-03  1.4377000000e-03  2.5063000000e-03 -2.4504000000e-03 -4.5391000000e-03 -4.6170000000e-04  7.3816000000e-03 -5.2493000000e-03  3.0758000000e-03  1.2619000000e-03  7.5080000000e-04 -3.3938000000e-03 -7.0066000000e-03  5.2442000000e-03
-
-JOB 580
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3334200000e-01  5.3741800000e-01 -7.5694400000e-01 -9.5169100000e-01 -8.8111000000e-02 -5.2456000000e-02 -2.7811600000e-01  8.6703300000e-01  2.6685870000e+00  4.2933600000e-01  1.4018520000e+00  3.0287410000e+00  4.7133000000e-02  5.8241900000e-01  1.8145150000e+00
-ENERGY -1.526614358893e+02
-FORCES -3.8248000000e-03  2.6033000000e-03 -2.0358000000e-03 -1.6780000000e-03 -2.6433000000e-03  3.3564000000e-03  5.7301000000e-03  1.1125000000e-03  4.3810000000e-04  4.6663000000e-03 -2.2227000000e-03 -9.4317000000e-03 -1.6929000000e-03 -1.5573000000e-03 -2.2590000000e-03 -3.2007000000e-03  2.7075000000e-03  9.9320000000e-03
-
-JOB 581
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3968300000e-01 -1.6646100000e-01  7.4282000000e-02  4.0195700000e-01 -8.6734700000e-01  4.8697000000e-02 -1.6806300000e+00  2.6386420000e+00  4.1152700000e-01 -2.6185920000e+00  2.8295150000e+00  4.1667100000e-01 -1.4838170000e+00  2.4268860000e+00 -5.0097300000e-01
-ENERGY -1.526548669602e+02
-FORCES -2.5488000000e-03 -3.5232000000e-03  2.4527000000e-03  4.1046000000e-03 -5.7500000000e-04 -2.6355000000e-03 -1.9224000000e-03  3.7367000000e-03  1.7090000000e-04 -6.2150000000e-04  1.3716000000e-03 -4.2754000000e-03  4.0499000000e-03 -1.8833000000e-03  1.6890000000e-04 -3.0618000000e-03  8.7320000000e-04  4.1185000000e-03
-
-JOB 582
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3902800000e-01 -3.3160000000e-03 -4.6070900000e-01 -4.8960000000e-01 -7.2534700000e-01 -3.8780800000e-01 -1.3377190000e+00  2.5709210000e+00  9.0010500000e-01 -1.3511990000e+00  2.5632820000e+00  1.8571800000e+00 -1.1699820000e+00  1.6609150000e+00  6.5518600000e-01
-ENERGY -1.526607223874e+02
-FORCES  3.9873000000e-03 -1.9083000000e-03 -4.1128000000e-03 -3.8433000000e-03 -1.7427000000e-03  1.7471000000e-03  2.0987000000e-03  3.8252000000e-03  1.8496000000e-03  3.6477000000e-03 -7.2637000000e-03  7.3380000000e-04  5.9000000000e-06 -1.0300000000e-05 -3.0634000000e-03 -5.8963000000e-03  7.0998000000e-03  2.8457000000e-03
-
-JOB 583
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9213800000e-01 -8.1628900000e-01  8.7776000000e-02  6.7063600000e-01  6.8219900000e-01 -3.2926000000e-02 -1.8412210000e+00 -2.6051000000e+00  3.1301300000e-01 -2.1882330000e+00 -2.6886670000e+00  1.2011750000e+00 -8.9259400000e-01 -2.5533170000e+00  4.2988000000e-01
-ENERGY -1.526505268764e+02
-FORCES  4.9349000000e-03 -1.5080000000e-04 -7.3880000000e-04 -3.4961000000e-03  9.0790000000e-04  9.1590000000e-04 -3.6191000000e-03 -2.9458000000e-03  1.9680000000e-04  2.0108000000e-03  2.4582000000e-03  4.6040000000e-03  1.2349000000e-03 -2.7840000000e-04 -3.7966000000e-03 -1.0654000000e-03  8.8000000000e-06 -1.1813000000e-03
-
-JOB 584
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5677800000e-01 -2.2246400000e-01  3.6424300000e-01 -1.5026900000e-01  6.7477000000e-02 -9.4292000000e-01 -2.3461240000e+00 -2.7865210000e+00  1.9552410000e+00 -2.6704230000e+00 -2.1762740000e+00  2.6175550000e+00 -3.1110930000e+00 -2.9822530000e+00  1.4141840000e+00
-ENERGY -1.526546811576e+02
-FORCES -4.1909000000e-03 -2.0966000000e-03 -1.8151000000e-03  3.3876000000e-03  2.9232000000e-03 -2.0249000000e-03  5.4100000000e-04 -9.2000000000e-05  3.6458000000e-03 -4.7712000000e-03 -1.1130000000e-04  1.7748000000e-03  1.5379000000e-03 -2.0531000000e-03 -3.5774000000e-03  3.4956000000e-03  1.4298000000e-03  1.9969000000e-03
-
-JOB 585
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3100900000e-01 -8.9696300000e-01 -4.6077000000e-02  9.3630600000e-01 -8.0071000000e-02 -1.8207400000e-01  6.9051600000e-01 -2.0045540000e+00 -2.4216690000e+00  1.0061570000e+00 -1.1487880000e+00 -2.7119560000e+00 -2.6320200000e-01 -1.9364380000e+00 -2.4665420000e+00
-ENERGY -1.526563360421e+02
-FORCES  4.2755000000e-03 -6.9759000000e-03 -1.3101000000e-03 -1.3637000000e-03  4.2235000000e-03  3.0210000000e-04 -3.2401000000e-03  2.5400000000e-03  2.9370000000e-04 -3.5336000000e-03  5.3703000000e-03 -2.8529000000e-03 -9.6400000000e-05 -3.9661000000e-03  1.9237000000e-03  3.9584000000e-03 -1.1917000000e-03  1.6435000000e-03
-
-JOB 586
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4846600000e-01 -3.4108500000e-01  2.8284000000e-01 -3.6551600000e-01 -6.9238500000e-01 -5.5066600000e-01 -5.0813100000e-01 -2.1901860000e+00 -1.4865060000e+00  2.9037800000e-01 -1.8983560000e+00 -1.9263360000e+00 -1.1665270000e+00 -2.2219000000e+00 -2.1805820000e+00
-ENERGY -1.526574283795e+02
-FORCES -3.7204000000e-03 -1.5373300000e-02 -5.6658000000e-03 -1.8633000000e-03  7.7020000000e-04 -2.5488000000e-03  5.3442000000e-03  8.3023000000e-03  3.1230000000e-04  1.3719000000e-03  3.6932000000e-03 -1.3239000000e-03 -5.2713000000e-03  1.4012000000e-03  5.4811000000e-03  4.1389000000e-03  1.2064000000e-03  3.7450000000e-03
-
-JOB 587
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1202500000e-01  1.5803100000e-01  9.3739400000e-01 -9.2222100000e-01 -2.3827700000e-01 -9.4675000000e-02  9.0164100000e-01  3.1091250000e+00 -8.5141300000e-01  1.5616040000e+00  2.6052820000e+00 -3.7515500000e-01  1.2457420000e+00  4.0022210000e+00 -8.6575300000e-01
-ENERGY -1.526539105487e+02
-FORCES -5.1843000000e-03  7.2400000000e-04  2.3810000000e-03  6.7790000000e-04 -4.0370000000e-04 -3.8629000000e-03  3.7547000000e-03  6.4000000000e-05  8.1730000000e-04  4.3624000000e-03 -4.6480000000e-04  1.5041000000e-03 -1.7986000000e-03  3.9945000000e-03 -9.9550000000e-04 -1.8121000000e-03 -3.9140000000e-03  1.5590000000e-04
-
-JOB 588
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8528400000e-01 -3.8671300000e-01 -6.5125100000e-01 -1.3082500000e-01 -6.9332400000e-01  6.4685300000e-01  6.5391500000e-01  1.9259350000e+00  1.7640790000e+00  6.2221400000e-01  1.2689760000e+00  1.0686420000e+00 -2.2707200000e-01  1.9219200000e+00  2.1383500000e+00
-ENERGY -1.526588764114e+02
-FORCES  1.9840000000e-03  2.8880000000e-04  3.2846000000e-03 -2.7121000000e-03  1.9029000000e-03  4.5551000000e-03  1.4382000000e-03  5.2583000000e-03 -2.9293000000e-03 -6.7809000000e-03 -1.0486000000e-02 -1.2183800000e-02  3.6549000000e-03  3.9963000000e-03  7.5065000000e-03  2.4159000000e-03 -9.6020000000e-04 -2.3300000000e-04
-
-JOB 589
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2742200000e-01 -9.1063900000e-01 -1.8774100000e-01  4.2917500000e-01  1.8732700000e-01  8.3483500000e-01  1.2664220000e+00  1.0535070000e+00  2.2355330000e+00  1.0070430000e+00  1.9675350000e+00  2.1193080000e+00  1.0481380000e+00  8.5605900000e-01  3.1463550000e+00
-ENERGY -1.526615710520e+02
-FORCES  7.0144000000e-03  1.8723000000e-03  9.8381000000e-03 -2.5860000000e-04  2.6148000000e-03  1.8679000000e-03 -5.7210000000e-03 -3.1967000000e-03 -8.8288000000e-03 -2.7935000000e-03  2.8112000000e-03  4.1510000000e-04  8.8350000000e-04 -5.4504000000e-03  1.3977000000e-03  8.7520000000e-04  1.3488000000e-03 -4.6900000000e-03
-
-JOB 590
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0985700000e-01  6.1475000000e-02  8.0777400000e-01 -1.8829300000e-01 -9.3373100000e-01 -9.4472000000e-02  1.2184380000e+00 -1.3502900000e-01  2.3491360000e+00  1.5840170000e+00  7.4755500000e-01  2.4093800000e+00  5.1031700000e-01 -1.4594700000e-01  2.9930900000e+00
-ENERGY -1.526579745936e+02
-FORCES  9.8694000000e-03 -5.1260000000e-03  1.7342200000e-02 -3.3148000000e-03  5.6737000000e-03 -7.0876000000e-03 -2.4390000000e-04  2.2848000000e-03  6.2910000000e-04 -5.7369000000e-03  1.8591000000e-03 -3.5317000000e-03 -4.5424000000e-03 -5.1314000000e-03 -3.1789000000e-03  3.9687000000e-03  4.3980000000e-04 -4.1733000000e-03
-
-JOB 591
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4566900000e-01 -6.1296500000e-01 -7.2061500000e-01 -8.5466400000e-01 -2.4513700000e-01  3.5452700000e-01 -2.7187200000e+00 -4.7393900000e-01  1.2620900000e-01 -3.0773500000e+00 -1.3587090000e+00  5.6944000000e-02 -3.2101940000e+00 -7.1134000000e-02  8.4205300000e-01
-ENERGY -1.526587041001e+02
-FORCES -1.4006500000e-02 -4.1356000000e-03 -2.4296000000e-03  2.2900000000e-04  1.1909000000e-03  2.0039000000e-03  8.3926000000e-03  1.4460000000e-03  2.8311000000e-03 -6.2530000000e-04 -3.4720000000e-04  5.1740000000e-04  2.4004000000e-03  4.7100000000e-03  4.4560000000e-04  3.6098000000e-03 -2.8641000000e-03 -3.3683000000e-03
-
-JOB 592
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0303800000e-01  6.3088800000e-01 -1.5475300000e-01  6.5598900000e-01  4.8880000000e-01  4.9697600000e-01  1.7869630000e+00  1.6418370000e+00  1.1669390000e+00  1.2957590000e+00  2.4575970000e+00  1.2643370000e+00  2.3247870000e+00  1.7772330000e+00  3.8678200000e-01
-ENERGY -1.526583204894e+02
-FORCES  9.9304000000e-03  1.1690300000e-02  9.2305000000e-03  2.7047000000e-03 -5.8620000000e-04  7.6210000000e-04 -5.7845000000e-03 -5.0970000000e-03 -7.0298000000e-03 -3.4210000000e-03  6.0920000000e-04 -4.9924000000e-03  1.5130000000e-03 -5.2677000000e-03 -2.0091000000e-03 -4.9427000000e-03 -1.3487000000e-03  4.0387000000e-03
-
-JOB 593
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0481100000e-01 -5.5744200000e-01  6.6454400000e-01 -1.0179800000e-01 -4.8807500000e-01 -8.1710000000e-01  1.4829500000e-01 -1.3708770000e+00 -2.2612980000e+00  3.3088300000e-01 -1.4347030000e+00 -3.1987520000e+00  9.7140000000e-01 -1.6169510000e+00 -1.8391870000e+00
-ENERGY -1.526575565874e+02
-FORCES -3.8733000000e-03 -5.5739000000e-03 -1.1672500000e-02  1.8710000000e-03  3.9490000000e-04 -3.2944000000e-03  6.6275000000e-03 -2.4345000000e-03  7.4123000000e-03  1.1960000000e-03  5.6032000000e-03  3.1339000000e-03  1.1972000000e-03 -1.3128000000e-03  4.8984000000e-03 -7.0183000000e-03  3.3231000000e-03 -4.7770000000e-04
-
-JOB 594
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0625100000e-01  1.0526200000e-01  9.4544300000e-01 -3.1952500000e-01  8.5034700000e-01 -3.0173700000e-01 -2.5657230000e+00  1.4638900000e-01 -3.6159910000e+00 -2.1874210000e+00 -4.3227500000e-01 -2.9539740000e+00 -3.5093770000e+00 -1.0320000000e-03 -3.5526040000e+00
-ENERGY -1.526556261440e+02
-FORCES -9.8500000000e-05  4.3693000000e-03  3.0520000000e-03 -4.8400000000e-04 -3.5850000000e-04 -3.8766000000e-03  1.0485000000e-03 -4.1227000000e-03  1.4383000000e-03 -2.0579000000e-03 -3.7400000000e-03  2.8130000000e-03 -2.1543000000e-03  3.1090000000e-03 -3.1880000000e-03  3.7461000000e-03  7.4300000000e-04 -2.3860000000e-04
-
-JOB 595
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7195300000e-01  8.8185700000e-01  1.4560000000e-02  6.4134000000e-01 -5.2305700000e-01 -4.8096300000e-01  8.7696700000e-01 -2.5223030000e+00 -8.6348400000e-01 -7.9091000000e-02 -2.5451510000e+00 -8.2270000000e-01  1.0809610000e+00 -2.6563240000e+00 -1.7890410000e+00
-ENERGY -1.526600734405e+02
-FORCES  5.9358000000e-03 -5.0923000000e-03 -1.9216000000e-03  1.2580000000e-04 -4.0234000000e-03 -1.0509000000e-03 -5.5853000000e-03  8.3235000000e-03  9.4440000000e-04 -5.6691000000e-03 -2.6789000000e-03 -1.0816000000e-03  6.2096000000e-03  8.7620000000e-04 -1.4359000000e-03 -1.0168000000e-03  2.5949000000e-03  4.5456000000e-03
-
-JOB 596
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4142400000e-01  2.0526500000e-01 -4.0755800000e-01 -6.3573500000e-01  7.3608000000e-02 -7.1179700000e-01 -7.8176800000e-01  3.3843070000e+00  5.8722600000e-01 -1.2919200000e+00  3.8669460000e+00 -6.3186000000e-02 -6.4140000000e-01  4.0120170000e+00  1.2961050000e+00
-ENERGY -1.526528040384e+02
-FORCES  3.1770000000e-04  3.9829000000e-03 -3.9434000000e-03 -2.9062000000e-03 -1.7783000000e-03  1.3322000000e-03  2.3957000000e-03 -1.3372000000e-03  2.1652000000e-03 -1.5819000000e-03  4.3607000000e-03  1.3324000000e-03  2.2522000000e-03 -2.6454000000e-03  2.2784000000e-03 -4.7750000000e-04 -2.5826000000e-03 -3.1647000000e-03
-
-JOB 597
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7559000000e-02 -2.6273200000e-01  9.1626300000e-01 -9.0046100000e-01  1.1299300000e-01 -3.0435800000e-01 -7.3328700000e-01 -1.3508360000e+00  2.2724180000e+00 -1.9755700000e-01 -2.1439570000e+00  2.2859870000e+00 -3.1398500000e-01 -7.6715800000e-01  2.9046670000e+00
-ENERGY -1.526574867047e+02
-FORCES -8.6562000000e-03 -8.2822000000e-03  1.1367100000e-02  6.0859000000e-03  6.7777000000e-03 -1.9687000000e-03  2.7072000000e-03  3.2490000000e-04 -3.9200000000e-05  3.1111000000e-03 -2.5306000000e-03 -1.6970000000e-03 -2.4668000000e-03  5.0261000000e-03  4.7780000000e-04 -7.8130000000e-04 -1.3158000000e-03 -8.1400000000e-03
-
-JOB 598
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3060000000e-03  9.7439000000e-02 -9.5222500000e-01 -9.0109900000e-01  1.8780700000e-01  2.6264100000e-01 -1.9340080000e+00  1.8017780000e+00  9.5511000000e-01 -2.7777850000e+00  1.8220820000e+00  5.0360200000e-01 -1.4545640000e+00  2.5510390000e+00  6.0159200000e-01
-ENERGY -1.526578504594e+02
-FORCES -9.1476000000e-03  6.0528000000e-03  1.9220000000e-03 -4.7590000000e-04  8.3480000000e-04  3.3265000000e-03  4.6797000000e-03 -6.4564000000e-03 -4.5839000000e-03  3.4135000000e-03  4.6512000000e-03 -2.4631000000e-03  5.5675000000e-03 -1.9785000000e-03  7.2030000000e-04 -4.0372000000e-03 -3.1040000000e-03  1.0782000000e-03
-
-JOB 599
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3838700000e-01 -9.4242100000e-01  9.4466000000e-02 -3.5188700000e-01  2.0868100000e-01 -8.6536700000e-01 -6.0011900000e-01  1.4085140000e+00 -2.2249430000e+00 -9.1613500000e-01  9.1187200000e-01 -2.9797360000e+00  3.4643200000e-01  1.4664360000e+00 -2.3550130000e+00
-ENERGY -1.526584527236e+02
-FORCES -5.5986000000e-03  5.9468000000e-03 -1.0222200000e-02 -4.6650000000e-04  3.5897000000e-03 -2.8738000000e-03  5.7993000000e-03 -7.7637000000e-03  6.0506000000e-03  4.2252000000e-03  5.2900000000e-04 -2.7590000000e-04  2.3004000000e-03  4.7600000000e-04  5.9768000000e-03 -6.2599000000e-03 -2.7778000000e-03  1.3445000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2819900000e-01  1.0330700000e-01 -2.0977800000e-01 -4.5010900000e-01  1.2359400000e-01 -8.3567800000e-01 -1.9105010000e+00  5.2168300000e-01 -1.9574890000e+00 -2.0027430000e+00  1.4705620000e+00 -1.8717480000e+00 -2.7156650000e+00  1.6723200000e-01 -1.5802540000e+00
-ENERGY -1.526614349287e+02
-FORCES -5.9877000000e-03  1.0945000000e-03 -9.6057000000e-03 -3.7620000000e-03  5.4250000000e-04 -8.9810000000e-04  8.2435000000e-03 -6.5620000000e-04  7.9203000000e-03 -3.2894000000e-03  1.5079000000e-03  4.9320000000e-03  1.0172000000e-03 -5.0972000000e-03 -1.2760000000e-04  3.7785000000e-03  2.6086000000e-03 -2.2209000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5939800000e-01 -6.1428600000e-01 -6.8672900000e-01 -6.3326200000e-01 -1.4461000000e-01  7.0306400000e-01 -4.2867900000e-01 -2.0286010000e+00 -1.7632350000e+00 -1.3464270000e+00 -2.2811840000e+00 -1.8640930000e+00 -8.8816000000e-02 -1.9969220000e+00 -2.6575060000e+00
-ENERGY -1.526595739129e+02
-FORCES -2.9335000000e-03 -1.2149800000e-02 -8.1063000000e-03 -5.1750000000e-04  8.2217000000e-03  6.0220000000e-03  9.9420000000e-04 -4.1060000000e-04 -2.8448000000e-03  3.5810000000e-04  2.3765000000e-03 -6.4030000000e-04  4.9413000000e-03  2.4518000000e-03  9.9670000000e-04 -2.8427000000e-03 -4.8960000000e-04  4.5727000000e-03
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4472400000e-01  7.4402300000e-01 -5.5024700000e-01  4.4600000000e-01  1.5968400000e-01  8.3175500000e-01  1.9917800000e-01  1.8200650000e+00 -2.0420710000e+00  1.1310410000e+00  1.7202370000e+00 -2.2367420000e+00 -2.4229800000e-01  1.5995590000e+00 -2.8622590000e+00
-ENERGY -1.526590481387e+02
-FORCES -4.6250000000e-04  9.1478000000e-03 -7.5592000000e-03  4.8310000000e-03 -6.1652000000e-03  7.7854000000e-03 -4.5140000000e-04  1.1809000000e-03 -4.1753000000e-03 -2.1516000000e-03 -5.2082000000e-03 -2.7308000000e-03 -5.2730000000e-03 -1.1525000000e-03  3.8118000000e-03  3.5076000000e-03  2.1972000000e-03  2.8681000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8665700000e-01  7.2824200000e-01  5.9249900000e-01  9.5360800000e-01 -8.1785000000e-02  1.3235000000e-02  5.2304300000e-01  3.1616770000e+00 -1.1281650000e+00  5.2999500000e-01  2.6039000000e+00 -1.9060260000e+00  1.1524340000e+00  2.7528460000e+00 -5.3406400000e-01
-ENERGY -1.526542068290e+02
-FORCES  1.3756000000e-03  2.7740000000e-03  3.2545000000e-03  2.2928000000e-03 -3.7999000000e-03 -2.1373000000e-03 -3.7698000000e-03  1.8207000000e-03 -8.7940000000e-04  1.8024000000e-03 -5.7719000000e-03 -2.1860000000e-03  8.7410000000e-04  3.6899000000e-03  2.6961000000e-03 -2.5751000000e-03  1.2873000000e-03 -7.4790000000e-04
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2428700000e-01  3.9240100000e-01 -4.8750600000e-01 -7.5894700000e-01  1.0192400000e-01 -5.7432000000e-01  1.8122500000e-01  2.2040790000e+00  1.6586760000e+00 -3.7934600000e-01  2.2601280000e+00  2.4325310000e+00 -1.8785000000e-02  1.3485040000e+00  1.2789130000e+00
-ENERGY -1.526612975180e+02
-FORCES  9.6360000000e-04  4.0803000000e-03 -4.1792000000e-03 -4.9176000000e-03 -1.5469000000e-03  3.4477000000e-03  3.9101000000e-03  7.2200000000e-05  3.3571000000e-03 -2.3832000000e-03 -1.1043000000e-02 -4.5305000000e-03  8.2630000000e-04 -1.6037000000e-03 -3.2283000000e-03  1.6008000000e-03  1.0041000000e-02  5.1332000000e-03
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9598400000e-01  8.6601100000e-01 -3.5755700000e-01 -7.8441400000e-01  1.3208800000e-01  5.3242700000e-01  1.9094180000e+00 -4.5176500000e-01  1.7825220000e+00  2.7803210000e+00 -4.6738700000e-01  1.3856400000e+00  1.3073340000e+00 -5.3950200000e-01  1.0435840000e+00
-ENERGY -1.526591745598e+02
-FORCES  4.5338000000e-03  4.1440000000e-03  8.0420000000e-03 -1.3676000000e-03 -4.3395000000e-03  1.5581000000e-03  4.2258000000e-03 -1.4790000000e-04 -3.1021000000e-03 -1.0952500000e-02  1.4971000000e-03 -1.2699300000e-02 -3.6660000000e-03  1.0345000000e-03 -6.2350000000e-04  7.2265000000e-03 -2.1882000000e-03  6.8247000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7056000000e-02  9.4268900000e-01 -1.4138600000e-01 -6.4359700000e-01 -2.0122600000e-01  6.7935500000e-01 -1.3295800000e-01  2.7734280000e+00 -3.0558600000e-01 -8.2119100000e-01  3.0624300000e+00  2.9361800000e-01 -2.3627400000e-01  3.3311610000e+00 -1.0766190000e+00
-ENERGY -1.526599765307e+02
-FORCES -1.2964000000e-03  1.1965300000e-02 -7.5230000000e-04 -1.3561000000e-03 -9.8884000000e-03  3.1790000000e-03  1.5374000000e-03  2.0961000000e-03 -1.8937000000e-03 -1.7928000000e-03  4.5820000000e-04 -1.8651000000e-03  3.0971000000e-03 -2.9906000000e-03 -3.4557000000e-03 -1.8920000000e-04 -1.6407000000e-03  4.7877000000e-03
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4750300000e-01  4.0931300000e-01 -1.7445000000e-01  4.7283200000e-01  6.4144000000e-02 -8.2978700000e-01 -1.1781400000e-01 -2.7114280000e+00 -1.0457400000e-01  1.5227000000e-02 -1.7775170000e+00  5.7726000000e-02  3.7055500000e-01 -2.8872020000e+00 -9.0883300000e-01
-ENERGY -1.526581882574e+02
-FORCES -4.1636000000e-03 -3.1639000000e-03 -3.8744000000e-03  5.1481000000e-03 -1.4759000000e-03  6.5400000000e-05 -2.9428000000e-03 -3.6523000000e-03  4.4763000000e-03  1.4909000000e-03  1.5583800000e-02  5.8380000000e-04  1.7684000000e-03 -9.8488000000e-03 -3.2215000000e-03 -1.3010000000e-03  2.5570000000e-03  1.9703000000e-03
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7400900000e-01  2.5328000000e-01  2.9696600000e-01 -9.3459000000e-02 -9.1378600000e-01 -2.6924500000e-01  1.8282980000e+00  3.0284700000e-01  1.9577630000e+00  1.9127530000e+00  1.2528840000e+00  2.0385700000e+00  1.1896840000e+00  1.7752500000e-01  1.2558380000e+00
-ENERGY -1.526603554983e+02
-FORCES  8.1750000000e-04 -1.6961000000e-03  4.6478000000e-03  4.9241000000e-03 -1.6793000000e-03 -1.4765000000e-03 -7.4400000000e-05  5.1652000000e-03  2.3370000000e-03 -1.0607000000e-02  5.1420000000e-04 -1.3086900000e-02 -1.4371000000e-03 -2.4200000000e-03 -5.0420000000e-04  6.3770000000e-03  1.1610000000e-04  8.0827000000e-03
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3395200000e-01 -7.1981600000e-01 -5.8597200000e-01 -4.3563900000e-01 -2.1143100000e-01  8.2568000000e-01 -5.2794400000e-01 -1.8501750000e+00 -2.1985910000e+00 -1.4720640000e+00 -1.8011550000e+00 -2.0486970000e+00 -2.7056400000e-01 -2.6966130000e+00 -1.8331730000e+00
-ENERGY -1.526585017524e+02
-FORCES -1.5172000000e-03 -6.2439000000e-03 -5.8488000000e-03 -1.3430000000e-03  4.6068000000e-03  1.0074600000e-02  8.2520000000e-04 -6.5600000000e-04 -4.0367000000e-03 -2.6438000000e-03 -4.4308000000e-03 -2.5811000000e-03  6.4599000000e-03  7.2990000000e-04  2.3351000000e-03 -1.7811000000e-03  5.9940000000e-03  5.6900000000e-05
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3920900000e-01 -7.0964000000e-02 -1.7053400000e-01 -3.9612700000e-01 -6.7169500000e-01 -5.5510400000e-01  2.5600340000e+00  3.8200500000e-01 -3.0014400000e-01  2.8503830000e+00  1.0604950000e+00 -9.0971900000e-01  3.0356970000e+00  5.6734600000e-01  5.0956200000e-01
-ENERGY -1.526591747625e+02
-FORCES  1.7224200000e-02  1.7855000000e-03 -2.4527000000e-03 -8.8152000000e-03 -3.1795000000e-03  1.1270000000e-03  3.5554000000e-03  2.0967000000e-03  5.4440000000e-04 -1.0434800000e-02  2.4717000000e-03  1.8398000000e-03  1.7590000000e-04 -3.1868000000e-03  3.8202000000e-03 -1.7056000000e-03  1.2400000000e-05 -4.8787000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1327000000e-02 -6.0943800000e-01 -7.3244600000e-01 -6.1359400000e-01 -3.2372700000e-01  6.5949600000e-01 -4.0899800000e-01 -1.5877830000e+00 -2.1257000000e+00 -1.3300210000e+00 -1.3478220000e+00 -2.0238730000e+00 -1.1787700000e-01 -1.1006100000e+00 -2.8965060000e+00
-ENERGY -1.526578824146e+02
-FORCES -8.1650000000e-04 -1.2620400000e-02 -1.1703800000e-02 -4.0205000000e-03  7.9920000000e-03  6.7866000000e-03  5.7020000000e-04  1.3470000000e-04 -3.8607000000e-03 -8.0820000000e-04  6.1220000000e-03  4.2960000000e-04  7.1840000000e-03  5.6710000000e-04  3.2836000000e-03 -2.1090000000e-03 -2.1955000000e-03  5.0648000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6791200000e-01  3.0001200000e-01 -7.0971800000e-01 -1.8281100000e-01  5.9957600000e-01  7.2340900000e-01 -1.8720440000e+00  6.6904800000e-01 -1.7382620000e+00 -2.6811590000e+00  3.3266000000e-01 -1.3530250000e+00 -1.7289430000e+00  1.2269300000e-01 -2.5110820000e+00
-ENERGY -1.526587727694e+02
-FORCES -1.3928900000e-02  7.9782000000e-03 -1.1803400000e-02  7.4205000000e-03 -4.4230000000e-03  4.5156000000e-03 -8.2060000000e-04 -1.7176000000e-03 -2.0820000000e-03  2.9001000000e-03 -5.9042000000e-03  6.0122000000e-03  4.4296000000e-03  1.7887000000e-03 -2.4729000000e-03 -7.0000000000e-07  2.2778000000e-03  5.8305000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0151800000e-01 -9.2951400000e-01  1.0782600000e-01 -9.1800000000e-02  3.6894100000e-01  8.7845700000e-01 -3.7374340000e+00 -2.8101900000e-01 -4.5228100000e-01 -3.4871150000e+00 -1.0467050000e+00  6.4727000000e-02 -2.9775210000e+00 -1.0776100000e-01 -1.0079300000e+00
-ENERGY -1.526553337817e+02
-FORCES  5.0350000000e-04 -1.5078000000e-03  5.3217000000e-03 -5.9290000000e-04  4.0490000000e-03 -1.0588000000e-03  6.0390000000e-04 -2.0355000000e-03 -3.9033000000e-03  5.0929000000e-03 -1.4839000000e-03 -7.4780000000e-04 -7.2500000000e-04  2.7033000000e-03 -1.6197000000e-03 -4.8824000000e-03 -1.7251000000e-03  2.0079000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5314700000e-01  9.3038300000e-01 -1.6481900000e-01 -3.7713100000e-01 -4.4357600000e-01 -7.5976600000e-01 -3.3275200000e-01  2.7504230000e+00 -2.8319700000e-01  4.7089500000e-01  2.9992100000e+00  1.7340700000e-01 -1.0105230000e+00  2.7768890000e+00  3.9219800000e-01
-ENERGY -1.526608465585e+02
-FORCES -2.1744000000e-03  1.2397100000e-02 -5.3877000000e-03  5.8150000000e-04 -1.0036600000e-02  5.0691000000e-03  6.3920000000e-04  2.1382000000e-03  2.1637000000e-03  1.2968000000e-03  1.3092000000e-03  4.3840000000e-03 -5.0253000000e-03 -2.9766000000e-03 -2.1789000000e-03  4.6822000000e-03 -2.8313000000e-03 -4.0501000000e-03
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7704400000e-01 -5.8875900000e-01 -7.3365500000e-01 -8.5405800000e-01  1.3557700000e-01  4.1041000000e-01  3.1206600000e-01 -1.7911230000e+00 -1.9570820000e+00  1.9725500000e-01 -2.6696950000e+00 -1.5949200000e+00 -2.8015200000e-01 -1.7620230000e+00 -2.7085230000e+00
-ENERGY -1.526585705723e+02
-FORCES  1.0891000000e-03 -9.3862000000e-03 -1.0964400000e-02 -4.5376000000e-03  6.7340000000e-03  7.7069000000e-03  2.2144000000e-03 -2.4090000000e-03 -3.1670000000e-03  6.4800000000e-05 -8.2060000000e-04  2.7143000000e-03 -7.7560000000e-04  5.3140000000e-03 -2.2373000000e-03  1.9449000000e-03  5.6780000000e-04  5.9474000000e-03
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0024400000e-01 -1.5320000000e-02 -7.4545600000e-01 -5.5603700000e-01  2.0507900000e-01  7.5166300000e-01 -1.9404210000e+00  3.0532400000e-01 -1.9123210000e+00 -1.8695910000e+00  1.2576030000e+00 -1.9785000000e+00 -2.8110300000e+00  1.5443400000e-01 -1.5442130000e+00
-ENERGY -1.526593529535e+02
-FORCES -1.2807500000e-02  5.4170000000e-04 -9.2369000000e-03  7.5684000000e-03  1.1455000000e-03  6.5829000000e-03  9.2380000000e-04 -1.5930000000e-04 -2.3153000000e-03 -4.6020000000e-04  2.5043000000e-03  3.9221000000e-03 -2.2990000000e-04 -5.7985000000e-03  1.9924000000e-03  5.0054000000e-03  1.7663000000e-03 -9.4510000000e-04
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0648000000e-02  8.1264800000e-01 -5.0568900000e-01  2.9792500000e-01 -6.6500400000e-01 -6.2067900000e-01  6.0450100000e-01 -1.7001610000e+00 -2.1827490000e+00  3.0627600000e-01 -1.4274750000e+00 -3.0504680000e+00  3.4995900000e-01 -2.6207480000e+00 -2.1198310000e+00
-ENERGY -1.526605134311e+02
-FORCES  3.2205000000e-03 -5.0274000000e-03 -1.1356500000e-02 -3.3680000000e-04 -1.9533000000e-03  1.2278000000e-03 -1.7177000000e-03  4.0653000000e-03  8.3998000000e-03 -3.6190000000e-03  5.2200000000e-05 -1.4203000000e-03  1.4748000000e-03 -2.0202000000e-03  3.8448000000e-03  9.7820000000e-04  4.8835000000e-03 -6.9560000000e-04
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0694000000e-02  9.5482500000e-01 -2.9283000000e-02 -6.1866500000e-01 -1.7954600000e-01  7.0798900000e-01  4.1868700000e-01 -2.1002490000e+00 -1.4438690000e+00  1.9074600000e-01 -1.2230430000e+00 -1.1359970000e+00 -1.6716600000e-01 -2.2542340000e+00 -2.1850150000e+00
-ENERGY -1.526584022212e+02
-FORCES  5.4690000000e-04 -8.2827000000e-03 -4.0943000000e-03 -1.3626000000e-03 -4.9459000000e-03  1.1904000000e-03  2.8571000000e-03  2.9833000000e-03 -3.7000000000e-03 -2.6917000000e-03  1.4662700000e-02  8.1617000000e-03 -1.4250000000e-04 -7.0004000000e-03 -4.6344000000e-03  7.9280000000e-04  2.5830000000e-03  3.0766000000e-03
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5744700000e-01  2.7318900000e-01 -6.3981500000e-01 -2.1011900000e-01  5.0027100000e-01  7.8855000000e-01  2.4998700000e+00 -2.9238400000e-01 -5.5030500000e-01  1.5587320000e+00 -1.6136300000e-01 -6.6573700000e-01  2.8666190000e+00 -1.8437900000e-01 -1.4278370000e+00
-ENERGY -1.526569017973e+02
-FORCES  1.0124400000e-02  1.8889000000e-03  1.9322000000e-03  5.3649000000e-03 -8.3770000000e-04  2.5297000000e-03 -1.5014000000e-03 -2.4082000000e-03 -4.7105000000e-03 -1.6859200000e-02  1.8337000000e-03  4.0429000000e-03  7.4958000000e-03 -7.7580000000e-04 -5.9018000000e-03 -4.6245000000e-03  2.9900000000e-04  2.1076000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2142600000e-01 -2.0178200000e-01  4.4808000000e-01  6.7913400000e-01 -1.8708700000e-01  6.4808000000e-01  4.9546800000e-01 -2.1027080000e+00 -1.3189170000e+00  2.8990100000e-01 -1.3418940000e+00 -7.7565100000e-01  1.4507140000e+00 -2.1028850000e+00 -1.3800530000e+00
-ENERGY -1.526525602547e+02
-FORCES  1.8368000000e-03 -1.2988300000e-02 -5.3060000000e-03  6.2953000000e-03 -1.1537000000e-03 -3.7488000000e-03 -3.6659000000e-03 -3.2591000000e-03 -7.3861000000e-03 -4.8422000000e-03  2.4715700000e-02  1.1686900000e-02  2.9728000000e-03 -9.2183000000e-03  2.2750000000e-03 -2.5969000000e-03  1.9037000000e-03  2.4790000000e-03
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7693100000e-01 -2.1676500000e-01  3.1660300000e-01  4.3630700000e-01  3.9625200000e-01  7.5422300000e-01 -1.1218220000e+00 -1.9090040000e+00  3.6563660000e+00 -1.3772400000e+00 -1.0578100000e+00  3.3007510000e+00 -1.6599400000e-01 -1.8757740000e+00  3.6953550000e+00
-ENERGY -1.526530659325e+02
-FORCES -1.8865000000e-03  5.4590000000e-04  3.3704000000e-03  3.9214000000e-03  1.4977000000e-03 -5.5210000000e-04 -2.1486000000e-03 -2.0260000000e-03 -2.5272000000e-03  3.1526000000e-03  2.9112000000e-03 -5.8410000000e-04  1.2169000000e-03 -3.2633000000e-03  4.5390000000e-04 -4.2558000000e-03  3.3460000000e-04 -1.6100000000e-04
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4841900000e-01 -6.2989100000e-01 -6.7657700000e-01  4.5970500000e-01 -2.9736400000e-01  7.8516100000e-01 -2.1287260000e+00 -5.1862100000e-01  1.8515790000e+00 -3.0637600000e+00 -5.2656700000e-01  1.6469310000e+00 -1.7103060000e+00 -2.0429700000e-01  1.0501070000e+00
-ENERGY -1.526614222825e+02
-FORCES  4.0582000000e-03 -4.6666000000e-03  1.2131000000e-03 -8.9070000000e-04  2.7981000000e-03  3.3483000000e-03 -3.5563000000e-03  1.5384000000e-03 -4.7401000000e-03  2.6105000000e-03  2.6515000000e-03 -7.5406000000e-03  3.4973000000e-03  1.0070000000e-04 -6.6240000000e-04 -5.7190000000e-03 -2.4222000000e-03  8.3818000000e-03
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2664000000e-02 -5.0879600000e-01  8.0835100000e-01 -7.4260300000e-01 -2.9465800000e-01 -5.2721000000e-01 -1.7751940000e+00 -5.7085400000e-01 -1.9639670000e+00 -2.7311670000e+00 -5.3339000000e-01 -1.9332620000e+00 -1.5384410000e+00 -3.8679000000e-02 -2.7235530000e+00
-ENERGY -1.526607743333e+02
-FORCES -9.2287000000e-03 -4.4097000000e-03 -8.6163000000e-03 -1.6258000000e-03  9.3610000000e-04 -3.1558000000e-03  6.3547000000e-03  1.9621000000e-03  8.1661000000e-03  2.5775000000e-03  4.2633000000e-03  5.5910000000e-04  4.8870000000e-03  1.3230000000e-04 -3.7400000000e-04 -2.9648000000e-03 -2.8841000000e-03  3.4209000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3288000000e-02 -5.5176800000e-01 -7.8205400000e-01 -3.9000800000e-01  8.2702000000e-01 -2.8313200000e-01  2.6736220000e+00 -2.4472900000e-01  2.1664300000e-01  1.7325460000e+00 -8.4767000000e-02  2.8749500000e-01  2.9764800000e+00  3.8900000000e-01 -4.3366200000e-01
-ENERGY -1.526591793149e+02
-FORCES  4.0432000000e-03  8.8900000000e-05 -3.2799000000e-03  1.3564000000e-03  4.5265000000e-03  4.2813000000e-03  2.8518000000e-03 -4.6137000000e-03  2.5280000000e-04 -1.5899800000e-02  4.6649000000e-03 -1.0047000000e-03  9.5815000000e-03 -2.9055000000e-03 -1.4977000000e-03 -1.9330000000e-03 -1.7611000000e-03  1.2483000000e-03
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8372500000e-01  9.0338200000e-01  2.5763800000e-01  1.4672700000e-01 -5.1111100000e-01  7.9590700000e-01 -2.0498400000e-01 -3.6568900000e+00  2.7405200000e-01 -7.1711000000e-02 -4.6012550000e+00  3.5556600000e-01  4.9093700000e-01 -3.3663110000e+00 -3.1543000000e-01
-ENERGY -1.526559148570e+02
-FORCES  2.2780000000e-04  1.3327000000e-03  4.9390000000e-03 -7.6300000000e-04 -3.6704000000e-03 -9.8440000000e-04  6.9900000000e-04  3.4393000000e-03 -3.8695000000e-03  2.8533000000e-03 -3.1612000000e-03 -3.2936000000e-03 -5.0540000000e-04  3.8912000000e-03 -4.4890000000e-04 -2.5117000000e-03 -1.8317000000e-03  3.6574000000e-03
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5480300000e-01  5.3940000000e-02 -4.0920000000e-02 -2.1792100000e-01 -7.8384100000e-01 -5.0431700000e-01 -4.6460800000e-01 -2.0976090000e+00 -1.8032940000e+00 -1.2532270000e+00 -1.7820730000e+00 -2.2445980000e+00 -5.4593800000e-01 -3.0512140000e+00 -1.8192540000e+00
-ENERGY -1.526611953124e+02
-FORCES  1.9266000000e-03 -9.8738000000e-03 -7.3556000000e-03 -2.5042000000e-03 -7.1700000000e-05  4.8250000000e-04 -1.2340000000e-03  8.3123000000e-03  4.4074000000e-03 -2.0504000000e-03 -1.0538000000e-03  1.2320000000e-04  4.1202000000e-03 -2.0305000000e-03  3.5628000000e-03 -2.5830000000e-04  4.7174000000e-03 -1.2204000000e-03
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8286400000e-01  8.3704100000e-01  4.2679600000e-01 -6.8336600000e-01 -8.4716000000e-02 -6.6488100000e-01 -1.0575340000e+00  1.1398770000e+00  2.8477790000e+00 -1.2818250000e+00  3.3772200000e-01  3.3194480000e+00 -1.8271910000e+00  1.3250370000e+00  2.3096570000e+00
-ENERGY -1.526553468777e+02
-FORCES -2.2014000000e-03  3.9172000000e-03  1.7275000000e-03 -5.2030000000e-04 -2.9253000000e-03 -5.6342000000e-03  1.9718000000e-03  4.7530000000e-04  3.4980000000e-03 -3.8831000000e-03 -5.4086000000e-03  1.1620000000e-03  8.1100000000e-05  4.2179000000e-03 -1.0935000000e-03  4.5519000000e-03 -2.7650000000e-04  3.4020000000e-04
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7853400000e-01 -7.6240300000e-01 -3.2554400000e-01 -4.4434600000e-01  2.3201000000e-01  8.1545100000e-01 -1.9414940000e+00  8.5170800000e-01  1.5971380000e+00 -1.8953960000e+00  1.7763290000e+00  1.8404140000e+00 -2.1681800000e+00  4.0059800000e-01  2.4103700000e+00
-ENERGY -1.526575669545e+02
-FORCES -1.5410800000e-02  3.6886000000e-03  9.1994000000e-03  1.6628000000e-03  1.3473000000e-03  9.9330000000e-04  7.7528000000e-03 -2.6301000000e-03 -1.8702000000e-03  3.0611000000e-03  1.4071000000e-03 -2.8494000000e-03  1.3280000000e-04 -5.7227000000e-03 -3.2960000000e-04  2.8012000000e-03  1.9098000000e-03 -5.1435000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1287600000e-01  5.6783800000e-01 -6.5063400000e-01  4.8259400000e-01  1.7119700000e-01  8.0871900000e-01 -2.5225740000e+00  4.3257800000e-01  3.0505500000e-01 -1.5743890000e+00  3.0861600000e-01  2.6250700000e-01 -2.8861560000e+00 -3.5949600000e-01 -9.0747000000e-02
-ENERGY -1.526580247984e+02
-FORCES -1.0552900000e-02  4.3393000000e-03  5.9550000000e-04 -1.7936000000e-03 -2.9863000000e-03  4.6230000000e-03 -3.8660000000e-03  2.9770000000e-04 -5.0436000000e-03  2.2099500000e-02 -6.1041000000e-03 -3.8341000000e-03 -7.5400000000e-03  2.6686000000e-03  3.1017000000e-03  1.6530000000e-03  1.7847000000e-03  5.5750000000e-04
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2862600000e-01  8.1220900000e-01 -4.5197100000e-01 -9.5578100000e-01  1.4123000000e-02  5.0157000000e-02 -1.4172820000e+00  1.3625200000e+00  3.0689890000e+00 -1.0269240000e+00  1.8765510000e+00  2.3621480000e+00 -8.3446300000e-01  1.4999200000e+00  3.8157650000e+00
-ENERGY -1.526545000671e+02
-FORCES -3.6589000000e-03  1.4733000000e-03 -1.7977000000e-03 -1.0757000000e-03 -2.7186000000e-03  2.9985000000e-03  4.6055000000e-03  8.3960000000e-04 -1.1436000000e-03  5.6548000000e-03  1.5963000000e-03  2.6600000000e-04 -2.8995000000e-03 -1.0923000000e-03  2.4400000000e-03 -2.6262000000e-03 -9.8300000000e-05 -2.7632000000e-03
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1018300000e-01  9.2439400000e-01 -1.3248200000e-01 -2.9813600000e-01 -4.3108200000e-01 -8.0094600000e-01  1.2014180000e+00  9.9812500000e-01 -3.5895830000e+00  3.9398900000e-01  8.9890000000e-01 -3.0851570000e+00  1.4001760000e+00  1.1493800000e-01 -3.9005640000e+00
-ENERGY -1.526524290726e+02
-FORCES -1.5433000000e-03  2.1999000000e-03 -2.6353000000e-03  4.5990000000e-04 -4.4382000000e-03 -1.9500000000e-04  1.3643000000e-03  2.5350000000e-03  2.1768000000e-03 -1.4620000000e-03 -4.2414000000e-03  6.8170000000e-04  2.4806000000e-03  1.4560000000e-04 -1.3309000000e-03 -1.2995000000e-03  3.7991000000e-03  1.3028000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1884800000e-01 -8.4670500000e-01 -3.1250500000e-01 -1.0906000000e-01  5.2330200000e-01 -7.9403600000e-01  2.5279800000e-01  3.8606230000e+00  4.6375000000e-02  1.1501760000e+00  3.5642560000e+00  1.9839700000e-01 -2.1731700000e-01  3.6220780000e+00  8.4532400000e-01
-ENERGY -1.526564882430e+02
-FORCES  2.1990000000e-04 -1.2823000000e-03 -5.0150000000e-03 -1.1529000000e-03  3.5622000000e-03  1.1840000000e-03  8.3000000000e-04 -3.4075000000e-03  3.4976000000e-03  1.8543000000e-03 -2.3240000000e-03  5.1286000000e-03 -3.5230000000e-03  1.6529000000e-03 -1.2787000000e-03  1.7718000000e-03  1.7988000000e-03 -3.5165000000e-03
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0659500000e-01  7.5954500000e-01 -4.9530100000e-01  7.6291600000e-01 -2.8092200000e-01  5.0524600000e-01  2.2254230000e+00 -4.9825600000e-01  1.5646100000e+00  2.1681080000e+00 -1.4512170000e+00  1.4952360000e+00  2.9101180000e+00 -2.5307700000e-01  9.4226600000e-01
-ENERGY -1.526578973284e+02
-FORCES  1.2593100000e-02  1.0718000000e-03  9.0325000000e-03  1.1230000000e-04 -2.5122000000e-03  1.3055000000e-03 -6.3145000000e-03 -3.0036000000e-03 -8.0505000000e-03  1.8755000000e-03 -1.5644000000e-03 -2.2359000000e-03 -2.2764000000e-03  7.0062000000e-03 -2.0317000000e-03 -5.9899000000e-03 -9.9780000000e-04  1.9801000000e-03
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2011400000e-01  6.3592300000e-01 -6.3981400000e-01 -4.3532900000e-01  2.4203000000e-01  8.1739900000e-01  1.2814640000e+00 -3.2990090000e+00  1.0476430000e+00  1.3813800000e+00 -2.6590150000e+00  1.7523820000e+00  3.3983200000e-01 -3.3235420000e+00  8.7746500000e-01
-ENERGY -1.526540322086e+02
-FORCES -2.7491000000e-03  4.6267000000e-03 -4.1190000000e-04  1.2613000000e-03 -2.7441000000e-03  2.8672000000e-03  2.0610000000e-03 -2.0334000000e-03 -3.0242000000e-03 -3.7042000000e-03  4.7359000000e-03  4.8510000000e-04 -3.5380000000e-04 -3.2578000000e-03 -1.5502000000e-03  3.4847000000e-03 -1.3273000000e-03  1.6339000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3786000000e-02  9.3975600000e-01  1.7874500000e-01  7.1976800000e-01 -1.5392500000e-01 -6.1194200000e-01 -1.8185870000e+00 -6.0162400000e-01 -2.2517400000e+00 -1.6902720000e+00 -1.5486440000e+00 -2.1976920000e+00 -1.3818370000e+00 -2.5546500000e-01 -1.4735010000e+00
-ENERGY -1.526606355729e+02
-FORCES  5.3010000000e-03  2.9660000000e-03  1.3700000000e-05 -7.3000000000e-04 -4.9844000000e-03 -2.0965000000e-03 -5.3406000000e-03  6.5600000000e-04  2.4575000000e-03  4.5826000000e-03 -1.3162000000e-03  9.6376000000e-03  1.9400000000e-04  2.8979000000e-03 -9.4020000000e-04 -4.0070000000e-03 -2.1940000000e-04 -9.0721000000e-03
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4839700000e-01  6.4261100000e-01 -6.9373000000e-01 -9.2670900000e-01  9.4366000000e-02  2.2031100000e-01 -2.7871610000e+00 -2.7118500000e-01  3.7119700000e-01 -3.4011100000e+00 -1.0398900000e-01  1.0862790000e+00 -3.1043900000e+00 -1.0784570000e+00 -3.3660000000e-02
-ENERGY -1.526616964328e+02
-FORCES -1.0488200000e-02  1.3653000000e-03  3.0710000000e-04 -1.0923000000e-03 -2.0063000000e-03  1.9784000000e-03  9.7518000000e-03  1.3957000000e-03 -1.5766000000e-03 -3.3500000000e-04 -3.3703000000e-03  4.4910000000e-04  2.2434000000e-03 -1.6082000000e-03 -3.7871000000e-03 -7.9700000000e-05  4.2238000000e-03  2.6291000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5754400000e-01  6.4344000000e-01 -6.9093900000e-01 -5.9462000000e-02 -8.4670700000e-01 -4.4247400000e-01  4.6726400000e-01 -3.1309640000e+00  1.2411360000e+00  7.0654800000e-01 -2.3783880000e+00  1.7820660000e+00  1.1690860000e+00 -3.1936740000e+00  5.9325800000e-01
-ENERGY -1.526569999613e+02
-FORCES -2.3567000000e-03 -1.0301000000e-03 -4.4941000000e-03  6.4090000000e-04 -3.0534000000e-03  2.5728000000e-03  1.9457000000e-03  5.1282000000e-03  7.8270000000e-04  4.5504000000e-03  2.8879000000e-03  2.1285000000e-03 -8.2490000000e-04 -4.7236000000e-03 -2.4687000000e-03 -3.9554000000e-03  7.9100000000e-04  1.4788000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7917200000e-01  9.1540500000e-01 -1.8142000000e-02 -7.1043900000e-01 -4.6960000000e-02 -6.3976800000e-01  4.5029200000e-01  2.9178400000e+00 -2.6029000000e-01 -7.9422000000e-02  3.0835930000e+00 -1.0401370000e+00 -1.1020000000e-02  3.3727640000e+00  4.4431400000e-01
-ENERGY -1.526603865615e+02
-FORCES  5.7630000000e-04  9.8880000000e-03 -2.5706000000e-03 -2.6626000000e-03 -1.0093600000e-02  7.1750000000e-04  1.9804000000e-03  6.1800000000e-04  1.7284000000e-03 -3.7632000000e-03  4.4961000000e-03 -1.6710000000e-04  1.9451000000e-03 -2.2647000000e-03  4.4082000000e-03  1.9239000000e-03 -2.6437000000e-03 -4.1165000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1588800000e-01  9.3471000000e-02 -4.9175400000e-01 -1.0681700000e-01  5.7930600000e-01  7.5447100000e-01  3.4040700000e-01  2.0425630000e+00  1.8630640000e+00  1.2925550000e+00  2.0075680000e+00  1.9548390000e+00  1.8398300000e-01  2.7692460000e+00  1.2599930000e+00
-ENERGY -1.526605161582e+02
-FORCES -1.3524000000e-03  8.2504000000e-03  8.9022000000e-03  2.6219000000e-03  1.4802000000e-03  2.1920000000e-03 -1.3124000000e-03 -6.9719000000e-03 -8.3740000000e-03  5.0415000000e-03  1.1716000000e-03 -4.6720000000e-03 -5.1806000000e-03  6.0860000000e-04 -5.9410000000e-04  1.8210000000e-04 -4.5389000000e-03  2.5460000000e-03
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6567100000e-01 -8.5240000000e-02 -3.9947500000e-01  6.6160000000e-02  7.7907500000e-01  5.5217500000e-01 -8.1351800000e-01 -2.0539290000e+00  1.7646040000e+00 -3.9929300000e-01 -1.4726220000e+00  1.1268480000e+00 -3.1333800000e-01 -1.9219330000e+00  2.5699790000e+00
-ENERGY -1.526601814745e+02
-FORCES  1.3926000000e-03  3.5146000000e-03  8.1850000000e-04 -4.4641000000e-03 -1.0870000000e-04  3.5736000000e-03  8.0280000000e-04 -4.7920000000e-03 -2.4944000000e-03  4.6821000000e-03  8.7593000000e-03 -6.3866000000e-03 -1.2442000000e-03 -8.0783000000e-03  7.3902000000e-03 -1.1691000000e-03  7.0510000000e-04 -2.9012000000e-03
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0568100000e-01  9.0030100000e-01  3.0744200000e-01  2.3057700000e-01 -5.4029700000e-01  7.5574100000e-01  3.5183500000e-01  2.6276340000e+00  2.5770600000e-01 -4.0244000000e-01  2.9602480000e+00 -2.2878000000e-01  1.1007360000e+00  2.8011110000e+00 -3.1263200000e-01
-ENERGY -1.526606161097e+02
-FORCES  2.3935000000e-03  1.5547700000e-02  3.7798000000e-03 -2.2630000000e-03 -1.0835200000e-02 -1.5905000000e-03  4.6300000000e-05  3.6344000000e-03 -1.5069000000e-03 -2.5650000000e-04 -5.2243000000e-03 -5.7795000000e-03  4.5438000000e-03 -2.5237000000e-03  2.2827000000e-03 -4.4641000000e-03 -5.9880000000e-04  2.8144000000e-03
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3512200000e-01  1.6976500000e-01 -1.1383500000e-01  3.6876000000e-02 -7.6519200000e-01  5.7389300000e-01 -1.5039650000e+00 -1.6526810000e+00 -3.0247460000e+00 -1.5290420000e+00 -7.0200900000e-01 -2.9160050000e+00 -8.5370000000e-01 -1.7985700000e+00 -3.7118440000e+00
-ENERGY -1.526547556328e+02
-FORCES -3.8273000000e-03 -4.1567000000e-03  2.0438000000e-03  3.7529000000e-03  2.8380000000e-04 -3.9110000000e-04  1.7500000000e-04  3.6407000000e-03 -1.6227000000e-03  4.2360000000e-03  3.5716000000e-03 -2.2200000000e-03 -1.3461000000e-03 -3.6698000000e-03 -1.6240000000e-04 -2.9905000000e-03  3.3030000000e-04  2.3523000000e-03
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2174600000e-01 -8.4421000000e-01 -3.1625900000e-01 -6.9930900000e-01 -2.2438700000e-01  6.1388000000e-01  1.9105060000e+00 -6.3552000000e-02  2.2342240000e+00  1.6800220000e+00  7.9884200000e-01  2.5797460000e+00  1.4494600000e+00 -1.1775400000e-01  1.3971270000e+00
-ENERGY -1.526594061720e+02
-FORCES -4.6091000000e-03 -4.1636000000e-03 -3.9600000000e-05  4.9030000000e-04  5.3404000000e-03  4.4953000000e-03  4.9860000000e-03  1.4520000000e-03 -2.5963000000e-03 -6.4663000000e-03  5.3926000000e-03 -7.9428000000e-03  5.0640000000e-04 -3.0152000000e-03 -1.0700000000e-04  5.0928000000e-03 -5.0062000000e-03  6.1904000000e-03
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0969100000e-01 -8.5403100000e-01 -3.0158500000e-01 -2.5015800000e-01  4.6101700000e-01 -8.0069700000e-01  1.3394820000e+00 -9.9759500000e-01 -3.2160240000e+00  1.4829890000e+00 -1.8276080000e+00 -3.6706840000e+00  1.4719260000e+00 -3.2951400000e-01 -3.8886000000e+00
-ENERGY -1.526570382717e+02
-FORCES  1.5908000000e-03 -2.3665000000e-03 -6.7790000000e-03 -2.0303000000e-03  2.5489000000e-03  3.6289000000e-03 -1.8080000000e-04 -1.5940000000e-04  3.9963000000e-03  2.1412000000e-03 -6.8990000000e-04 -5.6652000000e-03 -6.0830000000e-04  3.5815000000e-03  2.0309000000e-03 -9.1260000000e-04 -2.9146000000e-03  2.7881000000e-03
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8975100000e-01  2.7510000000e-01  2.2112100000e-01 -3.1498000000e-02 -9.5637500000e-01  2.4229000000e-02 -2.7124370000e+00  1.8430100000e-01 -4.2832000000e-02 -2.7367490000e+00 -6.2486700000e-01 -5.5360300000e-01 -2.9429500000e+00  8.7046800000e-01 -6.6914700000e-01
-ENERGY -1.526580734120e+02
-FORCES -1.6254900000e-02 -7.6080000000e-04  2.1411000000e-03  9.0884000000e-03 -4.5000000000e-06 -1.1411000000e-03 -7.8700000000e-04  2.3345000000e-03 -1.1810000000e-03  4.6301000000e-03 -1.5825000000e-03 -6.3036000000e-03  1.3575000000e-03  3.8027000000e-03  3.1724000000e-03  1.9659000000e-03 -3.7895000000e-03  3.3121000000e-03
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8575900000e-01 -3.4016800000e-01 -6.7631600000e-01  1.7988600000e-01 -5.4209800000e-01  7.6811600000e-01 -1.8470400000e+00 -3.1255810000e+00 -1.5074480000e+00 -1.6574980000e+00 -2.4264420000e+00 -2.1331560000e+00 -2.8018040000e+00 -3.1938030000e+00 -1.5057680000e+00
-ENERGY -1.526548930743e+02
-FORCES  2.8763000000e-03 -4.8300000000e-03  1.1195000000e-03 -2.5844000000e-03  1.7863000000e-03  2.0075000000e-03 -1.9750000000e-04  3.0154000000e-03 -2.7565000000e-03 -3.7258000000e-03  3.6097000000e-03 -2.0899000000e-03 -1.6840000000e-04 -3.5399000000e-03  1.8592000000e-03  3.7998000000e-03 -4.1500000000e-05 -1.3980000000e-04
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9819800000e-01 -7.4278700000e-01  5.7027800000e-01  6.8168700000e-01 -2.4405000000e-02 -6.7152000000e-01  5.2180800000e-01 -1.9284700000e+00  1.8119420000e+00  7.0809400000e-01 -2.8609500000e+00  1.7023580000e+00 -1.8557700000e-01 -1.8991430000e+00  2.4561300000e+00
-ENERGY -1.526603530817e+02
-FORCES  5.5011000000e-03 -1.1397800000e-02  8.7720000000e-03 -3.3676000000e-03  7.3940000000e-03 -5.4278000000e-03 -1.5505000000e-03 -1.1197000000e-03  2.1212000000e-03 -3.1080000000e-03  1.6241000000e-03 -2.8274000000e-03 -1.2970000000e-03  4.5710000000e-03  1.4363000000e-03  3.8220000000e-03 -1.0715000000e-03 -4.0743000000e-03
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0337900000e-01  2.5934100000e-01  7.7174100000e-01  8.9407100000e-01 -1.1177300000e-01  3.2307200000e-01 -4.9873200000e-01 -2.1236270000e+00 -1.4919080000e+00 -3.8685700000e-01 -3.0187950000e+00 -1.1719240000e+00 -2.2425800000e-01 -1.5711010000e+00 -7.6005400000e-01
-ENERGY -1.526573574208e+02
-FORCES -1.8162000000e-03 -1.9917000000e-03 -7.8310000000e-04  3.6420000000e-03 -1.7787000000e-03 -3.7488000000e-03 -6.3530000000e-03 -2.8018000000e-03 -2.0675000000e-03  1.6518000000e-03  1.1926800000e-02  8.9369000000e-03  5.0810000000e-04  4.6160000000e-03  1.2812000000e-03  2.3674000000e-03 -9.9706000000e-03 -3.6188000000e-03
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5285000000e-01 -2.4359500000e-01 -3.5991600000e-01 -6.1063800000e-01 -1.2038900000e-01 -7.2722800000e-01  1.0926980000e+00 -3.7866270000e+00 -1.1961820000e+00  1.4204900000e+00 -4.3478310000e+00 -1.8989160000e+00  1.6400150000e+00 -4.0029160000e+00 -4.4126800000e-01
-ENERGY -1.526553810398e+02
-FORCES  9.0620000000e-04 -3.1613000000e-03 -5.0588000000e-03 -2.9111000000e-03  2.2275000000e-03  2.0198000000e-03  2.0194000000e-03  1.5344000000e-03  2.9127000000e-03  3.3019000000e-03 -4.1873000000e-03  7.5990000000e-04 -1.3759000000e-03  2.5339000000e-03  2.9000000000e-03 -1.9403000000e-03  1.0527000000e-03 -3.5336000000e-03
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0405700000e-01 -9.0328300000e-01 -8.8664000000e-02  3.1727400000e-01  4.3860000000e-01 -7.8943000000e-01 -1.2226680000e+00  2.6991590000e+00  1.5125470000e+00 -1.1051080000e+00  1.8176210000e+00  1.8665300000e+00 -6.0277200000e-01  2.7502570000e+00  7.8498300000e-01
-ENERGY -1.526569133534e+02
-FORCES  2.4890000000e-03 -3.3204000000e-03 -4.5542000000e-03 -1.3444000000e-03  3.9888000000e-03  1.9060000000e-04 -1.2064000000e-03 -1.0297000000e-03  4.0335000000e-03  3.7326000000e-03 -6.6349000000e-03 -2.4887000000e-03 -1.6487000000e-03  5.1329000000e-03  1.2500000000e-03 -2.0221000000e-03  1.8634000000e-03  1.5689000000e-03
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4683300000e-01  9.4151600000e-01 -9.0664000000e-02  3.9917900000e-01 -3.8153000000e-01 -7.8187200000e-01  2.9484300000e-01  2.8718720000e+00  6.6214000000e-02  3.8173700000e-01  3.4108870000e+00  8.5243500000e-01  9.4741600000e-01  3.2236750000e+00 -5.3927400000e-01
-ENERGY -1.526608049298e+02
-FORCES  1.4187000000e-03  9.2542000000e-03 -1.3298000000e-03  1.0670000000e-04 -1.0552600000e-02 -2.2546000000e-03 -7.6410000000e-04  2.4228000000e-03  2.1717000000e-03  1.9425000000e-03  2.5922000000e-03  3.0431000000e-03  2.6110000000e-04 -1.1369000000e-03 -4.6831000000e-03 -2.9649000000e-03 -2.5797000000e-03  3.0526000000e-03
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1795500000e-01 -5.5921200000e-01 -7.4566000000e-01  7.2734200000e-01 -1.1990700000e-01  6.1059600000e-01  3.2288180000e+00  7.6415600000e-01 -1.4678990000e+00  3.1396060000e+00 -3.6668000000e-02 -9.5122300000e-01  3.4202950000e+00  1.4454840000e+00 -8.2341400000e-01
-ENERGY -1.526528108892e+02
-FORCES  3.8930000000e-03 -1.8832000000e-03 -2.0528000000e-03 -9.1850000000e-04  1.3276000000e-03  4.0788000000e-03 -2.0772000000e-03  2.8000000000e-04 -2.4331000000e-03  2.3440000000e-04  9.1180000000e-04  4.7237000000e-03 -8.0690000000e-04  2.7084000000e-03 -1.7803000000e-03 -3.2470000000e-04 -3.3445000000e-03 -2.5363000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2979000000e-02 -9.3774400000e-01  1.7760000000e-01  9.3251800000e-01  1.4149300000e-01 -1.6316100000e-01 -9.1806400000e-01  1.4166760000e+00  2.0436160000e+00 -1.8722830000e+00  1.3476540000e+00  2.0741770000e+00 -6.7230400000e-01  9.8496200000e-01  1.2254130000e+00
-ENERGY -1.526598316829e+02
-FORCES  3.2560000000e-04  1.8106000000e-03  8.3271000000e-03  9.0390000000e-04  4.8248000000e-03 -1.3774000000e-03 -4.9060000000e-03 -1.8420000000e-03  1.0990000000e-03  4.4496000000e-03 -8.8126000000e-03 -1.4402600000e-02  2.9511000000e-03 -1.4595000000e-03 -1.2774000000e-03 -3.7243000000e-03  5.4788000000e-03  7.6313000000e-03
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6333000000e-02 -9.3406400000e-01  1.9838400000e-01 -8.1330700000e-01  8.2412000000e-02 -4.9796800000e-01 -2.0516240000e+00  5.9648800000e-01 -1.4579110000e+00 -2.9430850000e+00  5.3814600000e-01 -1.1142170000e+00 -1.9931180000e+00  1.4786500000e+00 -1.8247890000e+00
-ENERGY -1.526585684071e+02
-FORCES -1.5470600000e-02  3.5009000000e-03 -1.1636900000e-02 -2.7721000000e-03  2.5563000000e-03 -1.4664000000e-03  6.6091000000e-03 -3.2457000000e-03  5.6864000000e-03  9.1097000000e-03  1.0775000000e-03  7.1747000000e-03  4.9382000000e-03  7.2850000000e-04 -1.7956000000e-03 -2.4143000000e-03 -4.6176000000e-03  2.0377000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5659900000e-01 -9.2654100000e-01 -1.8229200000e-01  5.8498900000e-01  2.0319900000e-01  7.2988400000e-01  3.6719200000e-01  1.6146700000e+00 -2.0152220000e+00 -1.5961000000e-01  1.3948330000e+00 -2.7835860000e+00  1.2861500000e-01  9.5500800000e-01 -1.3639470000e+00
-ENERGY -1.526587320734e+02
-FORCES  5.4741000000e-03  6.2333000000e-03 -6.0802000000e-03 -4.7120000000e-04  5.4168000000e-03  4.3490000000e-04 -3.0725000000e-03 -2.9161000000e-03 -3.5627000000e-03 -3.9726000000e-03 -1.1472300000e-02  1.4520200000e-02  1.0374000000e-03 -1.8046000000e-03  3.6052000000e-03  1.0048000000e-03  4.5428000000e-03 -8.9174000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1555500000e-01 -1.6693100000e-01  2.2388700000e-01 -4.9183900000e-01 -2.9215100000e-01  7.6744600000e-01  2.9074140000e+00 -2.7278200000e-01  1.5526400000e-01  3.2359250000e+00 -1.0085040000e+00 -3.6148100000e-01  3.4163430000e+00 -3.0232800000e-01  9.6541800000e-01
-ENERGY -1.526611547812e+02
-FORCES  8.2565000000e-03 -1.1989000000e-03  2.7528000000e-03 -1.1089600000e-02 -1.5790000000e-04  2.7400000000e-05  2.5766000000e-03  7.5850000000e-04 -2.0303000000e-03  4.3607000000e-03 -2.3370000000e-03 -2.4650000000e-04 -1.3205000000e-03  3.5114000000e-03  3.4687000000e-03 -2.7836000000e-03 -5.7590000000e-04 -3.9721000000e-03
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3459300000e-01  6.9353700000e-01  6.4585100000e-01 -8.4739100000e-01  2.0243100000e-01 -3.9646300000e-01 -2.0333280000e+00  7.9296000000e-01 -1.4860380000e+00 -1.7500040000e+00  1.6307370000e+00 -1.8522180000e+00 -1.9592230000e+00  1.7561200000e-01 -2.2137890000e+00
-ENERGY -1.526586502586e+02
-FORCES -1.5869100000e-02  7.1557000000e-03 -8.1851000000e-03 -1.1276000000e-03 -7.9710000000e-04 -2.8712000000e-03  7.8748000000e-03 -4.6533000000e-03  3.9721000000e-03  1.0079700000e-02 -7.6230000000e-04  4.7690000000e-04 -1.6110000000e-03 -4.4816000000e-03  1.7723000000e-03  6.5330000000e-04  3.5386000000e-03  4.8350000000e-03
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4732000000e-02 -5.4490200000e-01  7.8506000000e-01  2.0100500000e-01  8.7596900000e-01  3.2940500000e-01 -3.4033300000e-01 -2.1378030000e+00  1.7270520000e+00  2.2250700000e-01 -2.3606340000e+00  2.4685300000e+00 -1.3422100000e-01 -2.7957330000e+00  1.0630660000e+00
-ENERGY -1.526611595402e+02
-FORCES -1.8468000000e-03 -6.6796000000e-03  9.0574000000e-03  2.5594000000e-03  8.0784000000e-03 -7.3170000000e-03 -4.4190000000e-04 -3.6019000000e-03  6.4210000000e-04  2.5508000000e-03 -2.7931000000e-03 -2.7037000000e-03 -2.3750000000e-03  1.4162000000e-03 -4.1327000000e-03 -4.4650000000e-04  3.5799000000e-03  4.4539000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2697800000e-01 -1.2536000000e-01  2.0304600000e-01  3.2371000000e-02  8.3399000000e-01 -4.6866200000e-01 -2.6121100000e+00 -1.8015800000e-01 -2.3717600000e-01 -2.7290730000e+00 -9.1451900000e-01 -8.3989200000e-01 -3.0241870000e+00 -4.6977000000e-01  5.7679500000e-01
-ENERGY -1.526574155624e+02
-FORCES -2.0583300000e-02  2.3108000000e-03 -3.3235000000e-03  6.7849000000e-03 -2.3813000000e-03  4.8000000000e-03  7.8260000000e-04 -2.0874000000e-03  7.7470000000e-04  6.9509000000e-03 -2.7141000000e-03 -2.4316000000e-03  1.4710000000e-04  3.8541000000e-03  4.2931000000e-03  5.9178000000e-03  1.0177000000e-03 -4.1128000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6467400000e-01 -8.0287300000e-01  4.4897000000e-01 -9.5633000000e-01 -6.6290000000e-03  4.0264000000e-02  2.0675630000e+00  4.6545100000e-01 -1.9892580000e+00  1.2825950000e+00  3.3730300000e-01 -1.4566840000e+00  2.0339020000e+00 -2.3653500000e-01 -2.6391150000e+00
-ENERGY -1.526612445938e+02
-FORCES -2.3267000000e-03 -2.2587000000e-03  2.4969000000e-03 -2.1401000000e-03  3.6609000000e-03 -2.9665000000e-03  4.6261000000e-03 -9.8530000000e-04  4.6910000000e-04 -7.8867000000e-03 -2.4378000000e-03  4.1774000000e-03  7.9922000000e-03  2.7360000000e-04 -6.7391000000e-03 -2.6490000000e-04  1.7472000000e-03  2.5622000000e-03
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4628500000e-01  8.4484200000e-01  3.7658600000e-01  3.4107000000e-02 -5.9561900000e-01  7.4853700000e-01 -1.8333830000e+00 -8.2330200000e-01 -2.0328080000e+00 -1.6982280000e+00 -2.3540400000e-01 -2.7760050000e+00 -1.3262410000e+00 -4.3168100000e-01 -1.3217020000e+00
-ENERGY -1.526610045483e+02
-FORCES  3.0450000000e-04 -1.1562000000e-03  4.3517000000e-03  1.1580000000e-04 -4.8386000000e-03 -2.8991000000e-03 -3.5390000000e-04  4.0007000000e-03 -3.3656000000e-03  8.7444000000e-03  4.4019000000e-03  5.8286000000e-03 -2.8750000000e-04 -1.0925000000e-03  2.7952000000e-03 -8.5232000000e-03 -1.3154000000e-03 -6.7108000000e-03
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5164100000e-01 -3.6798900000e-01 -6.9029600000e-01  8.9123800000e-01 -2.4492500000e-01 -2.4887600000e-01 -2.1238110000e+00  3.0522090000e+00 -1.5804950000e+00 -2.6798800000e+00  2.9019740000e+00 -8.1600300000e-01 -2.2598700000e+00  3.9742090000e+00 -1.7987540000e+00
-ENERGY -1.526543431329e+02
-FORCES  1.3568000000e-03 -1.4491000000e-03 -4.8652000000e-03  2.1684000000e-03  5.8930000000e-04  3.4129000000e-03 -3.4248000000e-03  6.8300000000e-04  1.2040000000e-03 -2.2594000000e-03  3.1900000000e-03  3.1406000000e-03  1.5908000000e-03  7.1050000000e-04 -3.6915000000e-03  5.6820000000e-04 -3.7236000000e-03  7.9930000000e-04
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2030200000e-01  9.2559600000e-01  2.1220600000e-01  9.4092000000e-02 -4.5257700000e-01  8.3818400000e-01 -1.2196800000e-01  2.7728640000e+00 -1.8766000000e-02  1.0216200000e-01  3.4311000000e+00  6.3905100000e-01  4.8446200000e-01  2.9387110000e+00 -7.4054900000e-01
-ENERGY -1.526601923659e+02
-FORCES -1.3713000000e-03  1.1038100000e-02  2.8745000000e-03  3.3038000000e-03 -1.0359600000e-02 -1.0471000000e-03 -2.4240000000e-04  2.8527000000e-03 -1.9987000000e-03  1.5965000000e-03  1.8021000000e-03 -1.5900000000e-03 -6.1490000000e-04 -3.7004000000e-03 -3.4525000000e-03 -2.6717000000e-03 -1.6329000000e-03  5.2139000000e-03
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7224500000e-01 -5.3858600000e-01 -6.3493400000e-01 -5.2529200000e-01 -5.4073000000e-02  7.9835900000e-01  2.9163920000e+00  1.7462000000e-02  5.2394000000e-02  1.9741380000e+00  1.0577000000e-01  1.9589100000e-01  3.1393400000e+00  7.4290400000e-01 -5.3092400000e-01
-ENERGY -1.526615201994e+02
-FORCES -2.7590000000e-03 -3.5681000000e-03 -1.0240000000e-03  6.6550000000e-04  2.8962000000e-03  3.6404000000e-03  2.5431000000e-03 -1.4120000000e-04 -4.0964000000e-03 -9.5375000000e-03  2.3732000000e-03 -1.8381000000e-03  9.7654000000e-03  7.4210000000e-04  1.8098000000e-03 -6.7760000000e-04 -2.3022000000e-03  1.5083000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4274500000e-01 -6.2835000000e-02 -1.5334600000e-01 -3.6101200000e-01 -7.9288400000e-01 -3.9653100000e-01 -1.0699020000e+00 -3.4248630000e+00  1.1154150000e+00 -1.0851160000e+00 -4.3524220000e+00  1.3512830000e+00 -1.7316210000e+00 -3.3409280000e+00  4.2889100000e-01
-ENERGY -1.526541556254e+02
-FORCES  2.7783000000e-03 -5.1537000000e-03 -7.4330000000e-04 -3.5704000000e-03  8.8960000000e-04  2.2110000000e-04  3.7650000000e-04  4.0967000000e-03 -9.8500000000e-05 -3.4457000000e-03 -4.3594000000e-03 -4.2130000000e-04  4.5000000000e-05  4.0166000000e-03 -9.8680000000e-04  3.8162000000e-03  5.1020000000e-04  2.0288000000e-03
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1843100000e-01 -2.3196200000e-01 -1.3751400000e-01  3.2457100000e-01  2.2249700000e-01 -8.7257100000e-01 -2.6302290000e+00 -3.5476900000e-01 -3.1961500000e-01 -2.9081150000e+00 -1.2496350000e+00 -1.2409700000e-01 -3.2036210000e+00 -7.6000000000e-02 -1.0335770000e+00
-ENERGY -1.526589354135e+02
-FORCES -1.6011100000e-02 -7.9130000000e-04 -4.5623000000e-03  8.4894000000e-03 -2.2642000000e-03  2.4474000000e-03 -1.7038000000e-03 -4.4780000000e-04  1.9445000000e-03  4.8305000000e-03  1.1565000000e-03 -1.6182000000e-03  2.3217000000e-03  5.0998000000e-03 -1.9101000000e-03  2.0732000000e-03 -2.7529000000e-03  3.6987000000e-03
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5790700000e-01  3.1112300000e-01 -6.2176500000e-01  4.0877400000e-01 -7.5423000000e-01  4.2458500000e-01 -2.7156420000e+00 -2.5104800000e-01  1.3687000000e-01 -1.7679890000e+00 -3.6993900000e-01  7.3232000000e-02 -3.0728850000e+00 -1.1374360000e+00  8.2777000000e-02
-ENERGY -1.526588510088e+02
-FORCES -7.8580000000e-04  9.9180000000e-04 -2.4074000000e-03 -1.5022000000e-03 -2.3551000000e-03  4.1978000000e-03 -4.0645000000e-03  3.1089000000e-03 -3.2070000000e-03  1.1540000000e-02  7.0360000000e-04 -2.0068000000e-03 -8.4400000000e-03 -4.7624000000e-03  3.1109000000e-03  3.2526000000e-03  2.3132000000e-03  3.1250000000e-04
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1922200000e-01  7.7714200000e-01 -5.1402700000e-01  6.5040600000e-01 -1.4649000000e-02  7.0213200000e-01  3.7989050000e+00 -1.5110400000e-01 -2.1441000000e-01  3.4930320000e+00 -8.2737100000e-01 -8.1884100000e-01  3.2107060000e+00 -2.1769000000e-01  5.3780000000e-01
-ENERGY -1.526539593986e+02
-FORCES  2.7340000000e-03  4.5583000000e-03  4.9230000000e-04 -1.3821000000e-03 -3.7495000000e-03  2.3335000000e-03 -1.0452000000e-03 -1.0756000000e-03 -2.8946000000e-03 -3.0938000000e-03 -4.4110000000e-03 -8.0000000000e-06  1.8662000000e-03  3.2721000000e-03  2.6994000000e-03  9.2100000000e-04  1.4057000000e-03 -2.6227000000e-03
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9739100000e-01 -1.0187100000e-01  3.1708700000e-01  5.0258200000e-01  2.4548800000e-01  7.7677500000e-01 -2.5149540000e+00 -1.5018000000e-01  3.4945100000e-01 -2.9545390000e+00 -3.8493000000e-02  1.1923760000e+00 -2.7856010000e+00  6.1031100000e-01 -1.6497800000e-01
-ENERGY -1.526567453711e+02
-FORCES -2.2064700000e-02 -2.5522000000e-03  4.6444000000e-03  9.0383000000e-03  2.9239000000e-03 -1.2633000000e-03 -4.2837000000e-03 -7.2540000000e-04 -8.3440000000e-04  1.2164300000e-02  3.8791000000e-03 -2.4530000000e-03  3.6685000000e-03  6.6240000000e-04 -4.5719000000e-03  1.4773000000e-03 -4.1878000000e-03  4.4781000000e-03
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6147700000e-01  3.7511200000e-01  4.4235200000e-01 -7.3443300000e-01  1.9023300000e-01  5.8365300000e-01 -3.6467800000e-01 -2.6726310000e+00  4.4977200000e-01 -4.0162900000e-01 -1.7303970000e+00  2.8527000000e-01 -8.5135600000e-01 -2.7931600000e+00  1.2651550000e+00
-ENERGY -1.526565929444e+02
-FORCES  3.4996000000e-03 -1.4204000000e-03  4.1928000000e-03 -4.9658000000e-03 -8.1440000000e-04 -1.8791000000e-03  4.3025000000e-03 -7.0016000000e-03 -2.5096000000e-03  2.4106000000e-03  1.3157700000e-02 -2.1765000000e-03 -6.8169000000e-03 -6.9682000000e-03  5.0141000000e-03  1.5700000000e-03  3.0470000000e-03 -2.6417000000e-03
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0778400000e-01 -3.6525600000e-01 -3.6097700000e-01  6.6564600000e-01 -1.8978400000e-01 -6.6115800000e-01  3.2078800000e-01 -2.1619830000e+00  1.8796980000e+00  1.2704240000e+00 -2.2818180000e+00  1.8875390000e+00  1.8589400000e-01 -1.3454970000e+00  1.3986730000e+00
-ENERGY -1.526606076303e+02
-FORCES -4.6610000000e-04 -2.5744000000e-03 -5.4918000000e-03  5.0490000000e-03  1.0673000000e-03  3.0978000000e-03 -3.2267000000e-03  4.2750000000e-04  3.8459000000e-03  2.2211000000e-03  9.8037000000e-03 -6.0376000000e-03 -2.7322000000e-03  3.6180000000e-04 -7.6280000000e-04 -8.4520000000e-04 -9.0857000000e-03  5.3485000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4754400000e-01  1.3561400000e-01 -5.3400000000e-04  3.0718600000e-01  4.4933700000e-01 -7.8737800000e-01  8.0551200000e-01  1.5482910000e+00 -2.0503850000e+00  1.7546210000e+00  1.4267840000e+00 -2.0246880000e+00  6.7139400000e-01  2.4517750000e+00 -1.7640970000e+00
-ENERGY -1.526596087711e+02
-FORCES  1.9367000000e-03  9.7047000000e-03 -1.4643400000e-02  2.6457000000e-03  7.1250000000e-04 -1.6740000000e-04  1.8180000000e-04 -6.1000000000e-03  8.2933000000e-03  5.0820000000e-04  6.8310000000e-04  6.3893000000e-03 -6.2114000000e-03  2.0500000000e-05  1.6554000000e-03  9.3910000000e-04 -5.0208000000e-03 -1.5272000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6179000000e-01 -2.1577700000e-01  3.5635600000e-01  7.3780000000e-02 -5.3511400000e-01 -7.9021600000e-01  1.5040590000e+00 -8.9336400000e-01  1.8944420000e+00  1.0476220000e+00 -6.3313700000e-01  1.0943310000e+00  1.3333870000e+00 -1.8100500000e-01  2.5105970000e+00
-ENERGY -1.526566630727e+02
-FORCES  3.8876000000e-03 -6.0025000000e-03  8.9296000000e-03  5.7529000000e-03  7.8530000000e-04 -1.7443000000e-03  2.7780000000e-04  1.6934000000e-03  6.5243000000e-03 -1.2928300000e-02  1.1544500000e-02 -1.7047400000e-02  3.8673000000e-03 -6.1166000000e-03  4.8033000000e-03 -8.5730000000e-04 -1.9041000000e-03 -1.4655000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3863800000e-01  8.4804600000e-01  2.8700800000e-01 -1.4021600000e-01 -5.8013200000e-01  7.4834400000e-01 -5.7765200000e-01  2.1325550000e+00  1.4175670000e+00 -6.0687700000e-01  3.0863310000e+00  1.3421360000e+00  1.0793900000e-01  1.9638290000e+00  2.0638860000e+00
-ENERGY -1.526579514459e+02
-FORCES -6.5985000000e-03  1.3819500000e-02  9.7887000000e-03  2.8529000000e-03 -6.4588000000e-03 -2.8658000000e-03  1.5425000000e-03  2.2862000000e-03 -9.6170000000e-04  5.1152000000e-03 -5.5949000000e-03 -3.9027000000e-03  1.3273000000e-03 -4.9617000000e-03  1.2309000000e-03 -4.2395000000e-03  9.0980000000e-04 -3.2894000000e-03
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4441000000e-02 -8.0663300000e-01  5.1245700000e-01  2.1665400000e-01  6.7725900000e-01  6.4079200000e-01  2.8185060000e+00 -5.5950000000e-03 -4.8599600000e-01  2.8974180000e+00 -7.8382800000e-01  6.5691000000e-02  1.8763030000e+00  1.0167400000e-01 -6.1629500000e-01
-ENERGY -1.526586806535e+02
-FORCES  8.5070000000e-04 -1.0069000000e-03  5.9116000000e-03  1.7671000000e-03  4.0811000000e-03 -2.5110000000e-03  7.7370000000e-04 -4.4037000000e-03 -4.6583000000e-03 -1.2019300000e-02 -3.6224000000e-03  1.1096000000e-03 -3.0480000000e-04  2.3587000000e-03 -7.9860000000e-04  8.9326000000e-03  2.5931000000e-03  9.4680000000e-04
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6372300000e-01  2.5192300000e-01 -7.9857900000e-01 -4.5749200000e-01  4.6551100000e-01  7.0016600000e-01 -5.2305900000e-01 -2.8961560000e+00  1.9280900000e-01 -2.7235100000e-01 -1.9723830000e+00  1.8834700000e-01 -1.3178430000e+00 -2.9316970000e+00 -3.3943800000e-01
-ENERGY -1.526606745915e+02
-FORCES -2.9705000000e-03  4.6561000000e-03 -4.2410000000e-04  1.4302000000e-03 -2.3229000000e-03  4.5670000000e-03  1.7799000000e-03 -2.7937000000e-03 -4.1649000000e-03  4.3330000000e-04  1.0110200000e-02 -2.0129000000e-03 -2.9904000000e-03 -1.0277400000e-02  6.4940000000e-04  2.3175000000e-03  6.2780000000e-04  1.3854000000e-03
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0194600000e-01 -6.2959600000e-01 -6.9214100000e-01  8.7573100000e-01 -2.4476600000e-01  2.9902700000e-01 -4.7607000000e-02  2.6829020000e+00  1.5299700000e-01 -5.4979000000e-02  1.7805890000e+00 -1.6639100000e-01 -1.2839500000e-01  3.2176920000e+00 -6.3675300000e-01
-ENERGY -1.526599712542e+02
-FORCES  2.2659000000e-03  1.9083000000e-03  7.2000000000e-04  1.8558000000e-03  3.4922000000e-03  3.3249000000e-03 -4.8717000000e-03  8.9580000000e-04 -2.8271000000e-03 -9.6110000000e-04 -1.3191300000e-02 -2.4005000000e-03  1.6378000000e-03  1.0563200000e-02 -3.1110000000e-04  7.3300000000e-05 -3.6683000000e-03  1.4938000000e-03
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6934000000e-02  9.4406500000e-01  1.4741500000e-01 -1.0819400000e-01 -3.8560500000e-01  8.6938800000e-01  2.1604790000e+00 -6.1510800000e-01 -1.4361480000e+00  1.5328760000e+00 -5.0651500000e-01 -7.2161700000e-01  1.9076420000e+00  4.6295000000e-02 -2.0802370000e+00
-ENERGY -1.526577020791e+02
-FORCES  4.4719000000e-03  1.1085000000e-03 -1.7170000000e-03  6.6980000000e-04 -5.3863000000e-03 -9.6700000000e-04  2.4144000000e-03  2.4017000000e-03 -5.1523000000e-03 -1.6846500000e-02  5.5900000000e-03  7.4314000000e-03  7.8971000000e-03 -2.9058000000e-03 -9.4560000000e-04  1.3933000000e-03 -8.0800000000e-04  1.3505000000e-03
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1989000000e-01  1.1382000000e-01  4.8068400000e-01  5.1200000000e-03 -9.1857500000e-01 -2.6912000000e-01  2.2969700000e-01 -2.9716800000e+00  1.7853400000e-01  1.1499230000e+00 -3.1832350000e+00  3.3556800000e-01 -1.7779400000e-01 -3.0162870000e+00  1.0435150000e+00
-ENERGY -1.526599739446e+02
-FORCES  3.5520000000e-03 -9.4380000000e-03  2.9140000000e-04 -2.4254000000e-03 -1.7080000000e-04 -9.9180000000e-04 -9.7820000000e-04  9.3057000000e-03  3.3200000000e-05  1.4125000000e-03 -2.2872000000e-03  5.3755000000e-03 -4.4023000000e-03  2.2199000000e-03 -3.1780000000e-04  2.8414000000e-03  3.7050000000e-04 -4.3905000000e-03
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3455700000e-01 -8.2163200000e-01  4.7227900000e-01 -9.1884500000e-01 -2.4440000000e-02 -2.6712800000e-01  2.1076550000e+00  1.1548000000e-01 -1.6812170000e+00  1.2028160000e+00  6.7000000000e-05 -1.3910830000e+00  2.1953970000e+00 -4.7097000000e-01 -2.4326220000e+00
-ENERGY -1.526589281798e+02
-FORCES  1.9032000000e-03 -2.4389000000e-03  1.6485000000e-03 -1.7039000000e-03  4.0224000000e-03 -3.6594000000e-03  5.9109000000e-03 -7.6050000000e-04 -1.0500000000e-04 -1.0839400000e-02 -2.9240000000e-04  6.7554000000e-03  7.1445000000e-03 -1.6947000000e-03 -8.1818000000e-03 -2.4153000000e-03  1.1640000000e-03  3.5423000000e-03
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5990000000e-02 -9.5387900000e-01  2.3925000000e-02 -7.5588600000e-01  2.8820700000e-01 -5.1166900000e-01 -1.9358830000e+00  4.8833600000e-01 -1.6199030000e+00 -2.8353910000e+00  1.7153100000e-01 -1.5377330000e+00 -1.9923550000e+00  1.2119120000e+00 -2.2439860000e+00
-ENERGY -1.526570154013e+02
-FORCES -1.6086700000e-02  1.8764000000e-03 -1.4225700000e-02 -8.4360000000e-04  2.1570000000e-03  7.0900000000e-05  4.3736000000e-03 -4.0590000000e-04  4.0404000000e-03  9.3957000000e-03 -1.3606000000e-03  8.5675000000e-03  4.6836000000e-03  1.9951000000e-03 -1.7333000000e-03 -1.5225000000e-03 -4.2620000000e-03  3.2802000000e-03
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.6019000000e-02  9.3125800000e-01 -1.9942500000e-01 -7.7125900000e-01 -4.6151000000e-02  5.6503300000e-01  2.1015100000e-01 -2.2109620000e+00 -1.6968640000e+00  1.1333600000e+00 -2.3639180000e+00 -1.4955620000e+00  2.7653000000e-02 -1.3415460000e+00 -1.3404350000e+00
-ENERGY -1.526608690283e+02
-FORCES -2.3058000000e-03  1.6220000000e-04  1.2388000000e-03 -8.6570000000e-04 -4.9957000000e-03  1.0435000000e-03  3.9472000000e-03  1.3414000000e-03 -3.3032000000e-03  2.3795000000e-03  1.0107900000e-02  8.5887000000e-03 -2.2560000000e-03 -1.2440000000e-04 -1.1755000000e-03 -8.9910000000e-04 -6.4913000000e-03 -6.3923000000e-03
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5965900000e-01 -3.2377400000e-01 -2.6905100000e-01 -5.5803800000e-01 -1.3583700000e-01 -7.6575000000e-01  2.1342210000e+00 -8.2968900000e-01 -1.5098590000e+00  1.8797880000e+00 -1.4224500000e+00 -2.2170590000e+00  2.1396600000e+00  3.7904000000e-02 -1.9141920000e+00
-ENERGY -1.526581277247e+02
-FORCES  1.0193900000e-02 -7.5624000000e-03 -9.6455000000e-03 -4.9216000000e-03  6.2631000000e-03  4.1455000000e-03  1.1963000000e-03  9.6980000000e-04  1.4598000000e-03 -4.8565000000e-03  1.3134000000e-03 -2.2522000000e-03  6.3570000000e-04  4.1201000000e-03  2.9727000000e-03 -2.2478000000e-03 -5.1039000000e-03  3.3198000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0420600000e-01  1.9912900000e-01  2.4288100000e-01  4.9111200000e-01  7.8944000000e-02  8.1780700000e-01  2.1301680000e+00 -2.8546500000e-01  1.7792200000e+00  2.2754880000e+00 -1.2268910000e+00  1.8732000000e+00  2.4931710000e+00  9.4447000000e-02  2.5792990000e+00
-ENERGY -1.526605697792e+02
-FORCES  5.8018000000e-03  5.9350000000e-04  7.2497000000e-03  3.7548000000e-03 -5.8530000000e-04  6.3710000000e-04 -8.7890000000e-03  2.4100000000e-04 -5.7136000000e-03  1.5448000000e-03 -2.8564000000e-03  5.5520000000e-04 -4.2260000000e-04  5.1010000000e-03  8.8120000000e-04 -1.8899000000e-03 -2.4939000000e-03 -3.6096000000e-03
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5672700000e-01 -3.6011000000e-01  2.2928500000e-01 -5.0627700000e-01 -5.0326000000e-02  8.1079100000e-01  2.7081450000e+00 -4.9895100000e-01  4.8414900000e-01  3.2214110000e+00 -8.0966600000e-01  1.2299680000e+00  2.9306300000e+00 -1.0995600000e+00 -2.2718800000e-01
-ENERGY -1.526598447855e+02
-FORCES  1.0558200000e-02 -1.4532000000e-03  5.6075000000e-03 -9.1305000000e-03 -1.1251000000e-03 -4.4992000000e-03  2.1032000000e-03 -4.3200000000e-05 -1.9812000000e-03  1.5795000000e-03 -1.3976000000e-03  4.2380000000e-04 -2.1639000000e-03  1.1477000000e-03 -4.2244000000e-03 -2.9465000000e-03  2.8714000000e-03  4.6734000000e-03
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6775000000e-02  6.3499000000e-01 -7.1472500000e-01 -7.4107200000e-01  2.1931600000e-01  5.6475200000e-01 -3.9535000000e-02  2.2832290000e+00 -1.7087600000e+00 -9.8623700000e-01  2.3311810000e+00 -1.8417560000e+00  1.5362200000e-01  2.9958150000e+00 -1.0995450000e+00
-ENERGY -1.526592677802e+02
-FORCES -1.1985000000e-03  9.9846000000e-03 -6.5067000000e-03 -2.8655000000e-03 -8.2924000000e-03  6.0019000000e-03  2.0627000000e-03  2.5890000000e-04 -2.2216000000e-03 -9.7060000000e-04  4.2687000000e-03  2.8331000000e-03  5.1960000000e-03 -2.4533000000e-03  3.0624000000e-03 -2.2242000000e-03 -3.7664000000e-03 -3.1691000000e-03
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5647000000e-02  9.5236100000e-01  4.3657000000e-02 -7.1171900000e-01 -2.0499700000e-01  6.0635300000e-01  3.3583200000e+00  5.2801700000e-01 -1.2998670000e+00  3.5001780000e+00 -3.4222600000e-01 -9.2732800000e-01  3.7045590000e+00  1.1303100000e+00 -6.4138800000e-01
-ENERGY -1.526542685607e+02
-FORCES -2.3696000000e-03  3.9579000000e-03  1.4939000000e-03 -1.1386000000e-03 -3.8665000000e-03  9.2550000000e-04  3.3023000000e-03  6.7630000000e-04 -2.4821000000e-03  1.0039000000e-03 -2.6197000000e-03  4.4823000000e-03  9.3880000000e-04  3.7451000000e-03 -1.7839000000e-03 -1.7369000000e-03 -1.8932000000e-03 -2.6358000000e-03
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2126100000e-01 -2.5631600000e-01 -4.2565000000e-02 -2.2125000000e-01 -5.3403000000e-02  9.2974600000e-01  6.5034100000e-01 -3.7279550000e+00  1.2354000000e+00 -2.8961400000e-01 -3.8783310000e+00  1.1348780000e+00  7.1727600000e-01 -3.0989850000e+00  1.9538340000e+00
-ENERGY -1.526539445568e+02
-FORCES  3.5142000000e-03 -1.8454000000e-03  2.8624000000e-03 -3.9018000000e-03  2.0501000000e-03  6.1380000000e-04  6.9930000000e-04 -2.2090000000e-04 -3.3205000000e-03 -4.4155000000e-03  1.3666000000e-03  1.9467000000e-03  4.0934000000e-03  3.3840000000e-04  1.0242000000e-03  1.0400000000e-05 -1.6888000000e-03 -3.1266000000e-03
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9805000000e-02  9.5274800000e-01  2.0936000000e-02 -5.9939600000e-01 -2.8242800000e-01 -6.9079000000e-01 -3.2255630000e+00  8.3206000000e-01  1.5440300000e+00 -3.1857360000e+00 -4.7573000000e-02  1.1686750000e+00 -3.4652830000e+00  1.3961080000e+00  8.0876400000e-01
-ENERGY -1.526535482277e+02
-FORCES -2.7229000000e-03  3.8029000000e-03 -1.5606000000e-03  9.0940000000e-04 -3.9920000000e-03 -1.3130000000e-03  1.5984000000e-03  8.4490000000e-04  3.0830000000e-03 -4.3100000000e-04 -2.3942000000e-03 -3.6578000000e-03 -1.1826000000e-03  3.9827000000e-03  8.1360000000e-04  1.8286000000e-03 -2.2443000000e-03  2.6349000000e-03
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9174900000e-01 -2.1189000000e-01  4.9443800000e-01  1.7612800000e-01 -7.8482800000e-01 -5.1889900000e-01 -2.0329860000e+00 -3.6164100000e-01  1.9435140000e+00 -2.9777610000e+00 -2.5341300000e-01  1.8343430000e+00 -1.9424460000e+00 -1.1416740000e+00  2.4908560000e+00
-ENERGY -1.526608206874e+02
-FORCES -7.8250000000e-03 -2.8070000000e-03  5.9637000000e-03  7.2462000000e-03  2.5950000000e-04 -8.0194000000e-03 -1.3142000000e-03  1.8772000000e-03  2.4966000000e-03 -1.5640000000e-03 -1.5305000000e-03  2.1254000000e-03  4.8155000000e-03 -1.3815000000e-03  7.5130000000e-04 -1.3584000000e-03  3.5823000000e-03 -3.3177000000e-03
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4038400000e-01 -2.4346000000e-01  8.6087100000e-01  9.5132900000e-01 -4.0066000000e-02  9.7978000000e-02 -2.0010020000e+00  1.7115400000e-01  2.0463220000e+00 -2.5455820000e+00 -2.4645500000e-01  1.3790380000e+00 -2.0465860000e+00  1.1054170000e+00  1.8430840000e+00
-ENERGY -1.526607419160e+02
-FORCES -2.0131000000e-03 -1.0029000000e-03  7.7330000000e-03  4.9568000000e-03 -6.7290000000e-04 -8.4942000000e-03 -3.7928000000e-03  3.6680000000e-04  1.0872000000e-03 -3.5836000000e-03  4.5562000000e-03 -5.2205000000e-03  4.3299000000e-03  1.4577000000e-03  3.2701000000e-03  1.0280000000e-04 -4.7050000000e-03  1.6244000000e-03
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4868300000e-01  8.7592000000e-02 -9.2520000000e-02 -2.7137300000e-01  7.9721200000e-01  4.5501700000e-01 -5.9132900000e-01 -1.5862390000e+00  1.9845310000e+00 -4.0907900000e-01 -2.5085880000e+00  1.8048370000e+00 -5.2595500000e-01 -1.1579760000e+00  1.1309800000e+00
-ENERGY -1.526585035490e+02
-FORCES  2.1549000000e-03 -3.8142000000e-03  1.1027800000e-02 -4.8374000000e-03  4.3840000000e-04  1.7000000000e-04  1.7126000000e-03 -5.4329000000e-03 -1.9952000000e-03  4.2785000000e-03  9.3768000000e-03 -1.6099800000e-02  6.9370000000e-04  3.4785000000e-03 -1.3465000000e-03 -4.0023000000e-03 -4.0465000000e-03  8.2437000000e-03
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7907700000e-01 -1.6075900000e-01  8.1294100000e-01  9.1991800000e-01 -1.1982500000e-01  2.3585000000e-01 -1.8672720000e+00  8.8329000000e-02  1.8589780000e+00 -2.6810670000e+00 -7.3487000000e-02  1.3817090000e+00 -1.9190970000e+00 -4.8562700000e-01  2.6232560000e+00
-ENERGY -1.526588477202e+02
-FORCES -1.0039400000e-02  1.2057000000e-03  1.2119400000e-02  7.9202000000e-03 -2.6258000000e-03 -6.4201000000e-03 -3.9024000000e-03 -7.9500000000e-05  1.8046000000e-03  3.8010000000e-04 -9.4210000000e-04 -6.3483000000e-03  4.1820000000e-03  6.0700000000e-05  3.9060000000e-03  1.4594000000e-03  2.3809000000e-03 -5.0615000000e-03
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5811400000e-01 -1.4447600000e-01 -6.7988600000e-01  4.7338000000e-02  9.3808600000e-01  1.8435200000e-01  1.3843600000e-01 -1.6969120000e+00  2.1663010000e+00  7.8139000000e-02 -1.1681570000e+00  1.3706790000e+00  2.0635300000e-01 -2.5981190000e+00  1.8509540000e+00
-ENERGY -1.526609203042e+02
-FORCES  2.7914000000e-03  1.2520000000e-03  2.6600000000e-03 -3.2769000000e-03  7.5890000000e-04  3.7694000000e-03  4.7510000000e-04 -4.6653000000e-03 -2.1895000000e-03 -1.4702000000e-03  6.7319000000e-03 -1.1529000000e-02  1.2129000000e-03 -7.2800000000e-03  7.7822000000e-03  2.6770000000e-04  3.2025000000e-03 -4.9310000000e-04
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7628600000e-01  8.3564300000e-01  3.7629500000e-01  8.5558600000e-01  1.8283600000e-01 -3.8829900000e-01 -2.3339340000e+00 -3.6140200000e-01 -1.7442660000e+00 -2.0768480000e+00 -1.2817290000e+00 -1.8002660000e+00 -1.7428970000e+00  1.3574000000e-02 -1.0913500000e+00
-ENERGY -1.526587775567e+02
-FORCES  4.2663000000e-03  2.9073000000e-03 -9.2040000000e-04 -9.9520000000e-04 -4.8560000000e-03 -4.5767000000e-03 -3.9912000000e-03 -6.9890000000e-04  2.6232000000e-03  1.0021800000e-02 -3.1736000000e-03  6.2257000000e-03 -2.0101000000e-03  2.1326000000e-03 -1.3551000000e-03 -7.2918000000e-03  3.6885000000e-03 -1.9966000000e-03
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3578300000e-01 -6.3998500000e-01 -6.7160800000e-01 -5.3773200000e-01 -2.3614900000e-01  7.5585000000e-01 -9.6807000000e-02  2.7057360000e+00 -4.8296900000e-01 -1.4438000000e-02  1.7615210000e+00 -6.1678000000e-01 -8.3473400000e-01  2.7992720000e+00  1.1948200000e-01
-ENERGY -1.526584391129e+02
-FORCES -2.7905000000e-03  1.6913000000e-03  2.3102000000e-03  6.5360000000e-04  4.6183000000e-03  3.3104000000e-03  2.0458000000e-03  6.8790000000e-04 -4.3899000000e-03 -1.4017000000e-03 -1.4602900000e-02  4.5435000000e-03 -1.9220000000e-04  7.4079000000e-03 -4.7006000000e-03  1.6851000000e-03  1.9740000000e-04 -1.0735000000e-03
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5380300000e-01 -5.1016000000e-02 -6.2363000000e-02  2.3014300000e-01 -6.3223400000e-01  6.8084200000e-01  2.0969630000e+00  7.1894500000e-01 -1.5228340000e+00  1.4890180000e+00  2.6719900000e-01 -9.3754800000e-01  2.3631130000e+00  5.0846000000e-02 -2.1545300000e+00
-ENERGY -1.526580431235e+02
-FORCES -1.1640000000e-04  2.0412000000e-03 -4.0655000000e-03  4.2757000000e-03 -9.9160000000e-04  2.4046000000e-03  1.8000000000e-06  3.0572000000e-03 -5.3397000000e-03 -1.1339100000e-02 -4.3940000000e-03  5.5113000000e-03  9.0620000000e-03 -9.6460000000e-04 -1.1541000000e-03 -1.8839000000e-03  1.2518000000e-03  2.6434000000e-03
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5940000000e-02  9.2408500000e-01 -2.4073000000e-01 -8.7931400000e-01 -2.3391100000e-01  2.9719500000e-01  1.8051560000e+00 -2.7776300000e-01  1.9764850000e+00  1.1483860000e+00 -1.8691400000e-01  1.2861000000e+00  1.5728600000e+00  3.9313100000e-01  2.6184910000e+00
-ENERGY -1.526593822641e+02
-FORCES  9.2240000000e-04  1.3945000000e-03  3.6236000000e-03 -9.1100000000e-05 -5.0591000000e-03  2.9669000000e-03  5.2762000000e-03  2.5203000000e-03 -7.5680000000e-04 -1.1785800000e-02  2.6377000000e-03 -1.1706900000e-02  6.2283000000e-03 -1.0510000000e-04  8.7393000000e-03 -5.4990000000e-04 -1.3882000000e-03 -2.8661000000e-03
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4728700000e-01  4.0123000000e-02 -7.0401800000e-01  1.3626900000e-01 -8.5760800000e-01  4.0270500000e-01 -7.9072600000e-01 -2.8433820000e+00 -1.2706970000e+00 -1.4421310000e+00 -2.5593300000e+00 -6.2943400000e-01 -8.8648500000e-01 -2.2289300000e+00 -1.9983720000e+00
-ENERGY -1.526567556328e+02
-FORCES  4.8695000000e-03 -5.6879000000e-03 -1.8980000000e-03 -3.0377000000e-03  8.4320000000e-04  2.1279000000e-03 -2.2380000000e-03  4.5078000000e-03  7.0100000000e-05 -4.8332000000e-03  5.7272000000e-03 -1.1874000000e-03  3.8963000000e-03 -2.0986000000e-03 -1.2653000000e-03  1.3430000000e-03 -3.2917000000e-03  2.1528000000e-03
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0699200000e-01  2.6134200000e-01  5.8999500000e-01  8.0191900000e-01  2.0632400000e-01  4.8019600000e-01 -4.5162000000e-02  2.1292770000e+00 -1.5605770000e+00 -2.0497100000e-01  1.2512540000e+00 -1.2145020000e+00  8.5033000000e-02  2.6733480000e+00 -7.8387400000e-01
-ENERGY -1.526556808196e+02
-FORCES  2.9022000000e-03  9.0301000000e-03 -1.4377000000e-03  4.4917000000e-03  1.4727000000e-03 -4.9569000000e-03 -5.3094000000e-03  2.2100000000e-05 -1.7034000000e-03  9.4140000000e-04 -1.5841500000e-02  1.3043800000e-02 -2.9019000000e-03  6.9850000000e-03 -3.8821000000e-03 -1.2400000000e-04 -1.6683000000e-03 -1.0637000000e-03
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3133500000e-01 -6.6825000000e-02 -2.1067100000e-01 -4.3669000000e-02  6.6604900000e-01  6.8607900000e-01 -1.3617680000e+00  6.3524200000e-01 -2.2846920000e+00 -1.3970370000e+00  1.5537380000e+00 -2.5518110000e+00 -6.7834100000e-01  6.0610700000e-01 -1.6151330000e+00
-ENERGY -1.526580756961e+02
-FORCES -3.8230000000e-04  1.1003000000e-03  2.0563000000e-03 -6.4133000000e-03  2.3516000000e-03 -1.0905000000e-03  8.8960000000e-04 -2.9329000000e-03 -4.6376000000e-03  6.1678000000e-03 -1.7694000000e-03  1.1013400000e-02  1.2040000000e-03 -2.8406000000e-03  2.7919000000e-03 -1.4658000000e-03  4.0910000000e-03 -1.0133500000e-02
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4824400000e-01  1.1728800000e-01  5.7521000000e-02 -2.0687000000e-01 -6.2627900000e-01  6.9369400000e-01  2.5592150000e+00  3.7230100000e-01  3.1452400000e-01  2.7999810000e+00  1.2272560000e+00  6.7133700000e-01  3.2844650000e+00  1.4167200000e-01 -2.6604000000e-01
-ENERGY -1.526592034950e+02
-FORCES  1.9191200000e-02  9.3800000000e-04  3.1963000000e-03 -7.9584000000e-03 -2.9710000000e-04 -1.8930000000e-04  1.4942000000e-03  1.6988000000e-03 -1.4461000000e-03 -9.7625000000e-03  5.5300000000e-05 -2.7639000000e-03 -4.7800000000e-05 -4.9130000000e-03 -2.5920000000e-03 -2.9166000000e-03  2.5179000000e-03  3.7949000000e-03
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1096300000e-01  5.0073200000e-01 -7.5418900000e-01  7.0208700000e-01  7.8092000000e-02  6.4591600000e-01 -7.6868000000e-02 -2.7888470000e+00  9.2787000000e-02  1.2630000000e-02 -1.8412200000e+00 -8.3260000000e-03 -7.8853500000e-01 -2.8967210000e+00  7.2375900000e-01
-ENERGY -1.526607378122e+02
-FORCES  2.6716000000e-03  9.9780000000e-04 -1.2781000000e-03 -8.3610000000e-04 -2.4033000000e-03  4.5881000000e-03 -4.0590000000e-03 -2.7296000000e-03 -4.4172000000e-03 -3.3837000000e-03  1.3181500000e-02 -4.4120000000e-04  3.1773000000e-03 -9.5418000000e-03  2.8555000000e-03  2.4300000000e-03  4.9540000000e-04 -1.3072000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2868400000e-01  9.2520500000e-01  8.9053000000e-02  2.2123000000e-02 -3.3985800000e-01  8.9456100000e-01 -1.9918740000e+00 -5.7362200000e-01 -1.8071050000e+00 -2.0888770000e+00 -1.3899000000e-01 -2.6544050000e+00 -1.2212540000e+00 -1.6389400000e-01 -1.4140400000e+00
-ENERGY -1.526590569795e+02
-FORCES -3.7092000000e-03 -2.0577000000e-03  3.2712000000e-03 -2.2480000000e-03 -4.6066000000e-03 -1.6820000000e-03  1.6044000000e-03  3.1762000000e-03 -3.3280000000e-03  8.2669000000e-03  1.9805000000e-03  6.1792000000e-03  2.0141000000e-03 -1.0800000000e-04  3.8329000000e-03 -5.9282000000e-03  1.6156000000e-03 -8.2733000000e-03
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0882100000e-01 -3.6825200000e-01 -5.2744300000e-01  1.6671500000e-01  9.4256900000e-01  1.4880000000e-03 -5.6791100000e-01 -3.8746870000e+00 -2.9362000000e-01  3.1773600000e-01 -3.9363860000e+00 -6.5146900000e-01 -1.1377900000e+00 -3.8712450000e+00 -1.0626820000e+00
-ENERGY -1.526528525935e+02
-FORCES  3.6746000000e-03  1.8344000000e-03 -1.7843000000e-03 -2.5967000000e-03  1.7291000000e-03  1.6680000000e-03 -8.7020000000e-04 -4.0414000000e-03  2.7500000000e-05  5.0360000000e-04  1.6140000000e-04 -4.2266000000e-03 -3.3210000000e-03  7.2480000000e-04  1.3283000000e-03  2.6097000000e-03 -4.0820000000e-04  2.9871000000e-03
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1435700000e-01  1.2709500000e-01 -2.5304100000e-01  5.0229300000e-01  2.9064100000e-01 -7.6122300000e-01 -3.1867280000e+00  2.0221590000e+00  9.2312200000e-01 -3.2409140000e+00  2.6788320000e+00  2.2880500000e-01 -4.0821510000e+00  1.9472790000e+00  1.2530340000e+00
-ENERGY -1.526552241132e+02
-FORCES -2.9610000000e-03  2.2524000000e-03 -2.9880000000e-03  5.2827000000e-03 -1.6948000000e-03 -6.9650000000e-04 -1.9810000000e-03 -9.9740000000e-04  2.8812000000e-03 -4.6009000000e-03  3.3659000000e-03 -6.8300000000e-05  4.4930000000e-04 -3.3884000000e-03  2.4474000000e-03  3.8110000000e-03  4.6230000000e-04 -1.5757000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9128300000e-01  8.7758500000e-01 -3.3088800000e-01 -7.9258100000e-01 -2.5682700000e-01  4.7126200000e-01  6.1565000000e-01 -1.9571750000e+00 -1.7925590000e+00  1.5527600000e+00 -1.9502610000e+00 -1.9875150000e+00  4.8326500000e-01 -1.1988100000e+00 -1.2237110000e+00
-ENERGY -1.526612526374e+02
-FORCES -3.1817000000e-03 -2.3626000000e-03 -2.0308000000e-03  6.6590000000e-04 -4.9123000000e-03  1.6413000000e-03  3.8663000000e-03  2.6297000000e-03 -2.7546000000e-03 -9.2120000000e-04  1.0510300000e-02  9.7511000000e-03 -2.7219000000e-03  1.3668000000e-03  1.1001000000e-03  2.2926000000e-03 -7.2319000000e-03 -7.7072000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3694900000e-01 -9.0758100000e-01  1.9074500000e-01 -4.1730100000e-01  5.0823700000e-01  6.9554800000e-01 -4.0488200000e-01  1.7285520000e+00  2.3069800000e+00 -1.3310380000e+00  1.5819560000e+00  2.4992760000e+00  5.3533000000e-02  1.4294560000e+00  3.0922370000e+00
-ENERGY -1.526582705609e+02
-FORCES -1.4767000000e-03  3.9593000000e-03  8.2995000000e-03  5.3800000000e-04  3.5032000000e-03  4.4590000000e-04 -2.8613000000e-03 -6.5956000000e-03 -7.3447000000e-03  1.6808000000e-03 -4.9770000000e-04  5.4803000000e-03  5.4661000000e-03 -1.9664000000e-03 -3.5624000000e-03 -3.3468000000e-03  1.5972000000e-03 -3.3185000000e-03
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4339300000e-01 -3.0418200000e-01 -3.3525100000e-01 -1.1447700000e-01 -4.7156600000e-01  8.2507700000e-01 -2.8584770000e+00  8.3966900000e-01  1.1542590000e+00 -2.1036850000e+00  1.1675080000e+00  1.6431800000e+00 -2.9147040000e+00  1.4108550000e+00  3.8821900000e-01
-ENERGY -1.526554045037e+02
-FORCES  1.8597000000e-03 -4.7278000000e-03  1.8455000000e-03 -3.9748000000e-03  1.2307000000e-03  1.3643000000e-03  2.0190000000e-03  3.3128000000e-03 -2.6206000000e-03  4.9034000000e-03  3.9873000000e-03 -4.1242000000e-03 -3.1468000000e-03 -2.4489000000e-03 -1.1540000000e-04 -1.6605000000e-03 -1.3541000000e-03  3.6504000000e-03
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3567500000e-01 -1.2957600000e-01 -1.5477300000e-01 -4.2265700000e-01 -3.3423500000e-01 -7.9112600000e-01 -1.8934110000e+00 -6.6294300000e-01 -1.6538670000e+00 -1.9519820000e+00 -1.5416110000e+00 -2.0290250000e+00 -2.3053340000e+00 -9.5753000000e-02 -2.3056700000e+00
-ENERGY -1.526577721914e+02
-FORCES -1.1142100000e-02 -3.4730000000e-03 -1.0235600000e-02 -4.3178000000e-03 -8.5840000000e-04 -1.9292000000e-03  8.5785000000e-03  1.8290000000e-04  4.6242000000e-03  3.4895000000e-03  3.0527000000e-03  3.2360000000e-03  1.6340000000e-03  5.3179000000e-03  1.5658000000e-03  1.7579000000e-03 -4.2221000000e-03  2.7388000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0015100000e-01 -7.6922600000e-01 -5.3335000000e-01  2.8243000000e-02  7.2454600000e-01 -6.2487400000e-01  1.4721980000e+00  1.8631100000e-01  1.9541300000e+00  9.1350100000e-01 -2.9698300000e-01  2.5628300000e+00  1.0669940000e+00  5.1166000000e-02  1.0975220000e+00
-ENERGY -1.526523149748e+02
-FORCES  1.5192100000e-02  2.0567000000e-03  1.7763200000e-02  9.4860000000e-04  5.2685000000e-03  2.9764000000e-03  3.6270000000e-04 -5.6961000000e-03  2.9489000000e-03 -2.0500700000e-02 -3.5579000000e-03 -2.3406200000e-02  9.6590000000e-04  1.3490000000e-04 -1.8338000000e-03  3.0314000000e-03  1.7939000000e-03  1.5515000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4440600000e-01  6.8503000000e-02 -1.4012800000e-01  1.0004200000e-01 -7.3390200000e-01  6.0630900000e-01 -2.6840450000e+00 -4.6484000000e-02 -2.0502500000e-01 -3.2810700000e+00  1.0225100000e-01 -9.3828500000e-01 -2.9715800000e+00  5.7088000000e-01  4.6759400000e-01
-ENERGY -1.526600534488e+02
-FORCES -1.5828300000e-02 -3.3866000000e-03 -1.5574000000e-03  8.3300000000e-03  2.5498000000e-03  3.3986000000e-03 -6.3750000000e-04  2.2639000000e-03 -1.1018000000e-03  3.4110000000e-03  1.8512000000e-03 -1.2640000000e-03  2.0941000000e-03 -1.5600000000e-05  4.8557000000e-03  2.6308000000e-03 -3.2627000000e-03 -4.3311000000e-03
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3948100000e-01  1.1265500000e-01  1.4462300000e-01  2.3161900000e-01  6.9023000000e-01 -6.2142300000e-01  7.8694600000e-01 -1.5616480000e+00 -1.9298380000e+00  1.1698500000e-01 -1.4107990000e+00 -2.5966430000e+00  4.0276900000e-01 -1.2205760000e+00 -1.1221810000e+00
-ENERGY -1.526567562232e+02
-FORCES  2.3167000000e-03 -1.7222000000e-03 -8.7858000000e-03  5.1865000000e-03 -1.1958000000e-03 -3.1708000000e-03 -3.0763000000e-03 -5.5368000000e-03  2.4379000000e-03 -8.5637000000e-03  9.5833000000e-03  1.5360300000e-02  1.4440000000e-03  1.4569000000e-03  3.0105000000e-03  2.6929000000e-03 -2.5854000000e-03 -8.8521000000e-03
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4832800000e-01 -9.3856600000e-01  1.1543500000e-01  7.4029800000e-01  5.3418000000e-02 -6.0443100000e-01  3.3384110000e+00 -5.2690600000e-01  1.4533430000e+00  3.3877740000e+00  4.2744700000e-01  1.3985130000e+00  2.6315860000e+00 -6.9524800000e-01  2.0764740000e+00
-ENERGY -1.526563198080e+02
-FORCES  3.2318000000e-03 -4.3589000000e-03 -2.9255000000e-03  1.5320000000e-04  3.8811000000e-03  1.2490000000e-04 -3.8961000000e-03  7.1220000000e-04  2.1690000000e-03 -3.4883000000e-03  4.0063000000e-03  3.3162000000e-03  4.0660000000e-04 -3.9729000000e-03 -3.4750000000e-04  3.5929000000e-03 -2.6780000000e-04 -2.3372000000e-03
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3701400000e-01  6.8536800000e-01  5.7699500000e-01 -6.1153600000e-01 -1.6087000000e-02 -7.3620400000e-01 -3.9870800000e-01 -2.0437560000e+00  1.6392830000e+00 -3.6359200000e-01 -1.2261850000e+00  1.1427180000e+00 -1.0814550000e+00 -1.8977030000e+00  2.2940790000e+00
-ENERGY -1.526565028920e+02
-FORCES -3.0029000000e-03 -3.4719000000e-03  7.4000000000e-04  6.1000000000e-05 -8.4267000000e-03 -8.9150000000e-04  2.8319000000e-03  5.1240000000e-04  5.2166000000e-03  2.7978000000e-03  1.2694300000e-02 -1.1051300000e-02 -4.8241000000e-03 -3.8172000000e-03  9.5855000000e-03  2.1362000000e-03  2.5092000000e-03 -3.5993000000e-03
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1133700000e-01  8.8611600000e-01  1.8466200000e-01  6.0818900000e-01 -3.3569400000e-01 -6.5851900000e-01  3.1166500000e-01  2.5450890000e+00  7.4369000000e-01  5.1175000000e-01  3.0093990000e+00  1.5564710000e+00  1.1189320000e+00  2.5980520000e+00  2.3207800000e-01
-ENERGY -1.526542795596e+02
-FORCES  2.3020000000e-04  1.2156600000e-02  4.8027000000e-03  5.8590000000e-03 -4.3788000000e-03 -7.4844000000e-03 -8.1450000000e-04  4.2908000000e-03  2.6957000000e-03  8.9380000000e-04 -3.9065000000e-03  2.6459000000e-03 -4.1190000000e-04 -1.0644000000e-03 -5.1829000000e-03 -5.7567000000e-03 -7.0977000000e-03  2.5230000000e-03
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4708500000e-01 -5.6659500000e-01 -6.8900900000e-01  6.0015900000e-01 -1.2157700000e-01  7.3570400000e-01  1.9674600000e+00 -2.5439100000e-01  1.8889390000e+00  2.0290780000e+00  6.4582700000e-01  2.2083790000e+00  1.9499290000e+00 -7.8984500000e-01  2.6821680000e+00
-ENERGY -1.526609178850e+02
-FORCES  1.1863900000e-02 -4.2682000000e-03  8.2182000000e-03 -1.0256000000e-03  1.2652000000e-03  1.8769000000e-03 -7.2371000000e-03  3.9451000000e-03 -5.5082000000e-03 -2.1378000000e-03  1.1422000000e-03  9.1730000000e-04 -1.8231000000e-03 -5.6374000000e-03 -1.7077000000e-03  3.5970000000e-04  3.5531000000e-03 -3.7965000000e-03
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9933000000e-01  4.8044100000e-01  6.6036100000e-01 -2.2445600000e-01  4.2580000000e-01 -8.2737300000e-01 -5.0492600000e-01  2.0417580000e+00 -1.9252450000e+00 -1.4085480000e+00  2.2920500000e+00 -2.1177370000e+00 -3.3057000000e-02  2.1984960000e+00 -2.7431720000e+00
-ENERGY -1.526600042412e+02
-FORCES -2.9977000000e-03  1.0471100000e-02 -5.8750000000e-03  8.6550000000e-04 -2.0596000000e-03 -1.2405000000e-03  7.9290000000e-04 -7.6159000000e-03  4.6172000000e-03 -1.8410000000e-04  1.4631000000e-03 -2.5112000000e-03  4.7068000000e-03 -1.5227000000e-03  1.2002000000e-03 -3.1834000000e-03 -7.3590000000e-04  3.8093000000e-03
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6945100000e-01  9.1132900000e-01 -1.1448600000e-01  6.6294800000e-01 -5.0696500000e-01 -4.6874100000e-01 -1.8246710000e+00 -4.7195300000e-01 -2.1002900000e+00 -1.7251900000e+00  8.1443000000e-02 -2.8749430000e+00 -1.1644180000e+00 -1.4807600000e-01 -1.4875900000e+00
-ENERGY -1.526584547344e+02
-FORCES  4.3412000000e-03 -7.6100000000e-05  6.8770000000e-04 -3.0125000000e-03 -5.5320000000e-03 -2.1500000000e-03 -5.7847000000e-03  4.1301000000e-03  3.5580000000e-04  6.1824000000e-03  3.5115000000e-03  8.2660000000e-03  1.3841000000e-03 -1.1310000000e-03  3.9078000000e-03 -3.1105000000e-03 -9.0240000000e-04 -1.1067300000e-02
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3222600000e-01  4.4133400000e-01 -7.3118900000e-01 -9.3426000000e-01  6.8649000000e-02 -1.9666400000e-01  1.9671450000e+00  8.6688300000e-01 -1.8348370000e+00  1.9968360000e+00  1.7994850000e+00 -2.0483910000e+00  2.7754530000e+00  7.0633200000e-01 -1.3479140000e+00
-ENERGY -1.526610995133e+02
-FORCES  5.0932000000e-03  2.8554000000e-03 -8.1788000000e-03 -8.4829000000e-03 -1.5879000000e-03  7.2385000000e-03  3.6141000000e-03  8.2200000000e-04 -6.5870000000e-04  4.5442000000e-03  6.9290000000e-04  2.9367000000e-03 -1.0932000000e-03 -4.7440000000e-03  1.8766000000e-03 -3.6755000000e-03  1.9616000000e-03 -3.2143000000e-03
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6523400000e-01 -8.7566000000e-01 -3.4949800000e-01  2.6876000000e-01  5.1520800000e-01 -7.6063200000e-01 -8.9536400000e-01 -1.6502200000e+00  3.1534040000e+00 -1.2671830000e+00 -8.3621500000e-01  2.8137300000e+00 -1.2320150000e+00 -2.3298670000e+00  2.5694710000e+00
-ENERGY -1.526549513209e+02
-FORCES  1.8405000000e-03 -1.3040000000e-03 -5.0930000000e-03 -2.7050000000e-04  3.6255000000e-03  1.6015000000e-03 -1.1270000000e-03 -2.3351000000e-03  3.2018000000e-03 -2.1524000000e-03  2.1730000000e-03 -4.5019000000e-03  2.7830000000e-04 -4.3584000000e-03  2.8363000000e-03  1.4311000000e-03  2.1990000000e-03  1.9553000000e-03
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2272200000e-01  4.1235000000e-02 -6.2626200000e-01 -2.2479600000e-01  6.4682900000e-01  6.6881300000e-01 -2.5990000000e-02 -2.6562950000e+00  2.9975900000e-01  7.9911300000e-01 -2.9610220000e+00 -7.7838000000e-02  1.0274300000e-01 -1.7169660000e+00  4.3136600000e-01
-ENERGY -1.526604337557e+02
-FORCES -4.0970000000e-03 -4.7122000000e-03 -1.3465000000e-03  3.7984000000e-03  9.8920000000e-04  4.1384000000e-03  3.2810000000e-04 -4.1127000000e-03 -3.5121000000e-03  3.2621000000e-03  1.5666300000e-02 -1.4069000000e-03 -2.2896000000e-03  1.7276000000e-03  7.3450000000e-04 -1.0020000000e-03 -9.5581000000e-03  1.3927000000e-03
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4850900000e-01 -4.8885000000e-02 -1.1905000000e-01  1.7491700000e-01  9.2826500000e-01  1.5479000000e-01 -2.7501180000e+00  4.2855200000e-01 -2.5524300000e-01 -2.7950420000e+00  1.2705890000e+00  1.9773300000e-01 -3.1899690000e+00  5.8209800000e-01 -1.0914170000e+00
-ENERGY -1.526595612346e+02
-FORCES -1.2996900000e-02  3.6773000000e-03 -1.6856000000e-03  9.3899000000e-03 -9.4740000000e-04  1.8563000000e-03 -9.7060000000e-04 -2.1067000000e-03 -5.1700000000e-05  8.8760000000e-04  3.2022000000e-03 -1.6888000000e-03  1.6710000000e-03 -4.0714000000e-03 -3.1293000000e-03  2.0190000000e-03  2.4610000000e-04  4.6990000000e-03
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9317900000e-01  6.9642600000e-01  6.2761900000e-01  9.4448600000e-01 -1.3592200000e-01  7.5521000000e-02 -2.1245980000e+00 -7.4409300000e-01 -1.5117420000e+00 -1.4099700000e+00 -3.8037200000e-01 -9.8901300000e-01 -2.2923400000e+00 -8.2124000000e-02 -2.1824820000e+00
-ENERGY -1.526597614834e+02
-FORCES -9.9440000000e-04 -2.4311000000e-03 -2.5826000000e-03  1.1944000000e-03 -3.3918000000e-03 -4.0330000000e-03 -4.1575000000e-03  2.3974000000e-03  1.5881000000e-03  1.1265100000e-02  4.1555000000e-03  5.2810000000e-03 -8.6041000000e-03  4.7510000000e-04 -2.8944000000e-03  1.2965000000e-03 -1.2052000000e-03  2.6410000000e-03
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0929000000e-02 -8.5065600000e-01 -4.3874500000e-01 -7.1254600000e-01 -4.9466000000e-02  6.3723100000e-01  1.0002350000e+00 -3.2806440000e+00  8.0208600000e-01  1.7190030000e+00 -3.0346960000e+00  2.1975100000e-01  1.1772480000e+00 -2.8072510000e+00  1.6149800000e+00
-ENERGY -1.526570190136e+02
-FORCES -3.9707000000e-03 -5.2900000000e-03  7.7060000000e-04  9.2800000000e-04  5.2618000000e-03  5.0660000000e-04  2.9910000000e-03  9.0150000000e-04 -2.0543000000e-03  5.3386000000e-03  2.6589000000e-03  2.3962000000e-03 -4.0265000000e-03 -9.1490000000e-04  1.6808000000e-03 -1.2604000000e-03 -2.6173000000e-03 -3.2997000000e-03
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3153700000e-01 -8.9049900000e-01  1.1543900000e-01  1.4905900000e-01  4.2307500000e-01  8.4558900000e-01  1.8227040000e+00  4.7002100000e-01 -2.0058280000e+00  1.5595340000e+00 -1.4643700000e-01 -2.6891680000e+00  1.1497820000e+00  3.8171400000e-01 -1.3308400000e+00
-ENERGY -1.526601121564e+02
-FORCES  4.0009000000e-03 -3.5270000000e-04  2.1023000000e-03 -5.8850000000e-04  5.8998000000e-03 -2.5262000000e-03 -4.6790000000e-04 -3.0944000000e-03 -4.2870000000e-03 -1.1569400000e-02 -1.4480000000e-03  8.2918000000e-03  2.9100000000e-04  7.9530000000e-04  3.2971000000e-03  8.3339000000e-03 -1.8001000000e-03 -6.8779000000e-03
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4889500000e-01 -1.1943100000e-01 -3.9580000000e-02  1.2521300000e-01  7.2608600000e-01  6.1102600000e-01  2.0029240000e+00  1.0090300000e+00 -1.7582040000e+00  2.0373700000e+00  1.9617000000e+00 -1.6717970000e+00  1.1123780000e+00  7.7627800000e-01 -1.4955530000e+00
-ENERGY -1.526586103052e+02
-FORCES -1.1310000000e-03  1.0596000000e-03  4.5906000000e-03  5.1441000000e-03  1.4329000000e-03 -2.4190000000e-04 -1.3464000000e-03 -2.6310000000e-03 -4.7781000000e-03 -7.8659000000e-03 -2.1428000000e-03  4.5307000000e-03 -9.3890000000e-04 -3.4189000000e-03  1.1357000000e-03  6.1381000000e-03  5.7002000000e-03 -5.2370000000e-03
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0735900000e-01 -8.3806900000e-01  4.1337000000e-01  3.9078000000e-02  6.3606000000e-01  7.1423500000e-01  2.1344200000e+00  2.6061000000e-02 -1.7386680000e+00  1.4319540000e+00 -2.4408000000e-02 -1.0904190000e+00  2.9399810000e+00 -1.1304000000e-02 -1.2230060000e+00
-ENERGY -1.526590118687e+02
-FORCES  1.2745000000e-03  1.0083000000e-03  2.2492000000e-03  2.1166000000e-03  5.9015000000e-03 -3.7194000000e-03  5.5800000000e-04 -4.3413000000e-03 -3.3946000000e-03 -1.0054800000e-02  1.2897000000e-03  9.5455000000e-03  9.7379000000e-03 -3.7531000000e-03 -4.5555000000e-03 -3.6323000000e-03 -1.0510000000e-04 -1.2520000000e-04
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4970000000e-01  8.8860000000e-02 -8.0037000000e-02  1.2608500000e-01 -8.3983200000e-01  4.4160700000e-01 -2.6372080000e+00 -1.1739500000e-01  4.5895500000e-01 -3.2391090000e+00  6.5060000000e-03 -2.7493600000e-01 -2.9947660000e+00  4.3044400000e-01  1.1577080000e+00
-ENERGY -1.526591380517e+02
-FORCES -1.6854300000e-02 -3.6531000000e-03  4.6700000000e-03  6.6886000000e-03  1.6636000000e-03 -4.8232000000e-03  7.8160000000e-04  2.0607000000e-03 -8.7370000000e-04  4.0283000000e-03  2.6667000000e-03  1.5779000000e-03  4.7614000000e-03  3.7960000000e-04  3.7625000000e-03  5.9440000000e-04 -3.1175000000e-03 -4.3135000000e-03
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2113100000e-01 -1.2435200000e-01 -2.2866100000e-01 -1.3565000000e-02  8.1036700000e-01  5.0926700000e-01 -2.4923900000e-01  2.0209140000e+00  1.6975490000e+00 -1.0319700000e+00  1.7999730000e+00  2.2022750000e+00  4.5806500000e-01  2.0281030000e+00  2.3424540000e+00
-ENERGY -1.526592753317e+02
-FORCES -7.9800000000e-05  1.4640200000e-02  1.0361300000e-02 -2.1360000000e-03  1.7665000000e-03  2.3180000000e-03  1.1706000000e-03 -8.4317000000e-03 -6.1071000000e-03 -2.7730000000e-04 -8.5334000000e-03 -7.6900000000e-04  5.0347000000e-03  1.2999000000e-03 -2.1839000000e-03 -3.7122000000e-03 -7.4150000000e-04 -3.6194000000e-03
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8903700000e-01 -5.5183200000e-01 -7.2675400000e-01 -6.0474000000e-01 -2.0579700000e-01  7.1286000000e-01 -1.8005400000e+00 -5.3752700000e-01  1.8302960000e+00 -1.7861160000e+00 -1.1428700000e-01  2.6887200000e+00 -2.5921960000e+00 -2.0130000000e-01  1.4102210000e+00
-ENERGY -1.526585066557e+02
-FORCES -1.2792400000e-02 -6.3865000000e-03  1.3881000000e-02 -1.0362000000e-03  1.6731000000e-03  2.6096000000e-03  4.4089000000e-03  3.0710000000e-03 -7.9416000000e-03  5.0426000000e-03  5.0023000000e-03 -5.1750000000e-03 -1.0628000000e-03 -1.7115000000e-03 -5.1787000000e-03  5.4400000000e-03 -1.6485000000e-03  1.8047000000e-03
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2404400000e-01 -2.1818000000e-02  2.4879400000e-01 -4.7331700000e-01 -1.0280600000e-01  8.2561100000e-01  2.8432530000e+00 -1.3591600000e-01  1.4065300000e-01  3.1110270000e+00 -7.9991700000e-01 -4.9466900000e-01  2.8793830000e+00  6.8857700000e-01 -3.4425700000e-01
-ENERGY -1.526615507649e+02
-FORCES  9.5862000000e-03 -1.9300000000e-03  3.9661000000e-03 -1.0445800000e-02  3.6212000000e-03 -2.0658000000e-03  2.5490000000e-03  1.7900000000e-04 -2.2451000000e-03  1.6932000000e-03 -7.4690000000e-04 -5.7109000000e-03 -9.4680000000e-04  3.9464000000e-03  3.0138000000e-03 -2.4358000000e-03 -5.0697000000e-03  3.0419000000e-03
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8909000000e-02 -9.5030200000e-01 -9.1703000000e-02  1.3982700000e-01  3.3725500000e-01 -8.8483900000e-01 -2.2676030000e+00  4.2402200000e-01  1.5601480000e+00 -1.6410860000e+00  4.6416600000e-01  8.3758500000e-01 -1.8400550000e+00 -1.2389800000e-01  2.2183410000e+00
-ENERGY -1.526596471527e+02
-FORCES -9.7160000000e-04 -2.7698000000e-03 -1.1479000000e-03 -4.0800000000e-04  5.1442000000e-03  6.0180000000e-04 -1.7364000000e-03 -2.1454000000e-03  4.6389000000e-03  1.3415200000e-02 -2.4941000000e-03 -5.4558000000e-03 -8.2774000000e-03  1.7930000000e-03  2.6777000000e-03 -2.0218000000e-03  4.7210000000e-04 -1.3148000000e-03
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6581400000e-01 -7.9766200000e-01  3.8229200000e-01 -9.4791900000e-01 -1.1367400000e-01  6.8987000000e-02  1.7749480000e+00  6.2944100000e-01 -1.9327110000e+00  9.5924100000e-01  4.8194100000e-01 -1.4540700000e+00  1.7349550000e+00  1.9003000000e-02 -2.6689160000e+00
-ENERGY -1.526598781578e+02
-FORCES  3.4618000000e-03 -2.1461000000e-03 -8.5180000000e-04 -3.6384000000e-03  3.5199000000e-03 -2.0757000000e-03  5.2080000000e-03 -4.0320000000e-04 -6.7750000000e-04 -1.0417500000e-02 -3.4120000000e-03  7.9014000000e-03  6.2275000000e-03  1.4341000000e-03 -7.5301000000e-03 -8.4150000000e-04  1.0073000000e-03  3.2336000000e-03
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1229200000e-01 -8.6208300000e-01  2.7480500000e-01 -5.0349900000e-01  1.9707700000e-01 -7.8986200000e-01 -1.9341080000e+00  4.4973600000e-01 -1.8205400000e+00 -1.9035630000e+00  1.3890150000e+00 -2.0023470000e+00 -1.8024600000e+00  3.5790000000e-02 -2.6735050000e+00
-ENERGY -1.526587708657e+02
-FORCES -1.4587400000e-02 -1.2100000000e-04 -1.0416400000e-02  1.3621000000e-03  1.7487000000e-03 -8.6430000000e-04  8.7272000000e-03  8.2890000000e-04  3.5721000000e-03  1.9972000000e-03  1.3841000000e-03  1.1208000000e-03  1.7496000000e-03 -6.1245000000e-03  9.4200000000e-04  7.5130000000e-04  2.2837000000e-03  5.6458000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3950500000e-01  8.0980000000e-03 -1.8302100000e-01 -4.1156800000e-01  1.5111600000e-01 -8.5088700000e-01  4.1449400000e-01 -2.5757660000e+00  2.9898400000e-01  1.3957000000e-02 -1.7065070000e+00  3.1277900000e-01 -3.0821800000e-01 -3.1759560000e+00  4.8253100000e-01
-ENERGY -1.526594461519e+02
-FORCES  4.8439000000e-03 -6.8359000000e-03 -3.6898000000e-03 -6.4294000000e-03 -1.2536000000e-03  9.2970000000e-04  2.2021000000e-03 -1.9250000000e-03  4.5137000000e-03 -5.0533000000e-03  1.6187600000e-02 -1.8960000000e-04  3.8689000000e-03 -1.0351000000e-02 -4.4680000000e-04  5.6780000000e-04  4.1779000000e-03 -1.1172000000e-03
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2679700000e-01  9.2563900000e-01 -8.9374000000e-02 -9.4014000000e-02 -3.5649500000e-01 -8.8334800000e-01 -2.1667990000e+00 -7.7592700000e-01  1.4855480000e+00 -1.9338670000e+00 -1.5886210000e+00  1.9344390000e+00 -1.4098310000e+00 -5.8158100000e-01  9.3286300000e-01
-ENERGY -1.526608728233e+02
-FORCES -2.7943000000e-03  2.2205000000e-03 -1.4253000000e-03  3.5600000000e-05 -6.2542000000e-03  3.0640000000e-04 -7.6190000000e-04  1.7930000000e-03  5.5528000000e-03  1.3703800000e-02  1.8851000000e-03 -6.3530000000e-03  3.5600000000e-05  2.1113000000e-03 -2.0898000000e-03 -1.0218800000e-02 -1.7557000000e-03  4.0089000000e-03
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1473600000e-01 -7.3261400000e-01  5.7740500000e-01 -9.4954500000e-01 -5.1062000000e-02 -1.0949500000e-01  2.3130000000e+00  6.8337900000e-01 -1.4631500000e+00  1.4361900000e+00  4.0472400000e-01 -1.1989780000e+00  2.5778870000e+00  4.5765000000e-02 -2.1261100000e+00
-ENERGY -1.526609245304e+02
-FORCES -7.7300000000e-04 -1.7000000000e-03  2.0277000000e-03 -2.1657000000e-03  3.1295000000e-03 -3.4463000000e-03  4.6379000000e-03 -6.5140000000e-04  1.1666000000e-03 -8.7831000000e-03 -3.2569000000e-03  2.9958000000e-03  8.7979000000e-03  1.1543000000e-03 -5.4135000000e-03 -1.7140000000e-03  1.3245000000e-03  2.6697000000e-03
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4012800000e-01 -1.0555500000e-01 -4.4640300000e-01  1.3905000000e-01  7.2964000000e-01  6.0375700000e-01 -1.8755720000e+00 -5.9116200000e-01 -1.8152140000e+00 -1.2498750000e+00 -2.7877300000e-01 -1.1616480000e+00 -1.8424180000e+00  6.4487000000e-02 -2.5118190000e+00
-ENERGY -1.526596878946e+02
-FORCES -2.3494000000e-03  1.6890000000e-04 -3.4821000000e-03 -4.9671000000e-03  2.0217000000e-03  2.1513000000e-03  8.3900000000e-04 -3.6973000000e-03 -3.6755000000e-03  9.9995000000e-03  5.5364000000e-03  1.0444200000e-02 -4.8198000000e-03 -2.6522000000e-03 -8.1248000000e-03  1.2978000000e-03 -1.3774000000e-03  2.6869000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2673900000e-01 -2.8661300000e-01  6.6429200000e-01 -2.7244100000e-01 -4.5270100000e-01 -7.9816600000e-01  3.4682500000e-01 -3.5913830000e+00 -7.5474300000e-01 -4.7872000000e-02 -4.4521890000e+00 -6.1524800000e-01  8.6612000000e-01 -3.4348180000e+00  3.3960000000e-02
-ENERGY -1.526566500041e+02
-FORCES -4.1053000000e-03 -4.0057000000e-03 -1.7952000000e-03  2.7452000000e-03  1.3607000000e-03 -1.8837000000e-03  9.1370000000e-04  3.8479000000e-03  3.5090000000e-03  1.7858000000e-03 -3.5174000000e-03  3.7900000000e-03  1.5313000000e-03  3.7806000000e-03 -3.3160000000e-04 -2.8708000000e-03 -1.4661000000e-03 -3.2885000000e-03
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7290600000e-01 -3.0887200000e-01 -8.8934400000e-01  9.4565800000e-01 -1.0015700000e-01  1.0922800000e-01 -1.8613290000e+00 -4.3768900000e-01  2.0408150000e+00 -1.7310860000e+00  1.1588500000e-01  2.8107670000e+00 -1.1980770000e+00 -1.4159900000e-01  1.4173900000e+00
-ENERGY -1.526612552429e+02
-FORCES -4.6980000000e-04 -3.4084000000e-03 -6.2180000000e-04  2.6306000000e-03  1.5498000000e-03  3.7845000000e-03 -4.3719000000e-03  5.5990000000e-04 -1.3435000000e-03  7.6997000000e-03  3.3199000000e-03 -7.0303000000e-03  9.6300000000e-04 -1.4601000000e-03 -2.8913000000e-03 -6.4516000000e-03 -5.6100000000e-04  8.1024000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0340400000e-01  2.6481300000e-01 -1.7311200000e-01  4.5827000000e-01  1.5611200000e-01 -8.2574200000e-01 -5.3648700000e-01  3.7771100000e+00 -1.5282400000e+00  4.1652000000e-01  3.6881020000e+00 -1.5375100000e+00 -7.3332500000e-01  4.3292390000e+00 -2.2849700000e+00
-ENERGY -1.526551832086e+02
-FORCES -2.7450000000e-03  2.7165000000e-03 -4.2344000000e-03  3.6582000000e-03 -2.3468000000e-03  1.0095000000e-03 -9.6530000000e-04 -8.6100000000e-04  3.3042000000e-03  3.3185000000e-03  3.1155000000e-03 -2.6447000000e-03 -4.1242000000e-03 -1.0680000000e-04 -5.7990000000e-04  8.5780000000e-04 -2.5174000000e-03  3.1452000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9949500000e-01  9.3981000000e-02 -5.1788700000e-01  7.0961900000e-01  1.4894600000e-01 -6.2489100000e-01  3.2025460000e+00 -4.6400400000e-01  1.0811470000e+00  3.1681930000e+00  4.2662700000e-01  7.3210700000e-01  3.1899040000e+00 -1.0260320000e+00  3.0642400000e-01
-ENERGY -1.526520817133e+02
-FORCES -5.7480000000e-04  8.1060000000e-04 -4.2857000000e-03  3.6894000000e-03 -5.7950000000e-04  2.5175000000e-03 -2.0746000000e-03 -3.2280000000e-04  2.1723000000e-03 -1.2001000000e-03  9.7600000000e-04 -3.1235000000e-03  1.3460000000e-04 -4.0095000000e-03  2.4780000000e-04  2.5500000000e-05  3.1251000000e-03  2.4714000000e-03
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3351600000e-01 -1.2951900000e-01 -1.6734800000e-01  1.2657900000e-01 -3.0121100000e-01  8.9971200000e-01  5.8116200000e-01  2.0197310000e+00 -1.7448630000e+00  6.8369500000e-01  1.3715720000e+00 -1.0480070000e+00 -3.5154000000e-02  1.6181580000e+00 -2.3573370000e+00
-ENERGY -1.526588185691e+02
-FORCES -2.4241000000e-03  3.5024000000e-03 -9.8500000000e-04  4.6930000000e-03 -1.0520000000e-04  8.4110000000e-04 -1.7480000000e-03  1.3533000000e-03 -4.3417000000e-03 -3.1904000000e-03 -1.1816700000e-02  7.5865000000e-03  2.1026000000e-03  5.7365000000e-03 -4.8902000000e-03  5.6680000000e-04  1.3296000000e-03  1.7894000000e-03
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4463700000e-01 -8.9299300000e-01  4.4580000000e-03  5.4410400000e-01  4.6405500000e-01 -6.3626800000e-01  1.9970740000e+00  1.1899490000e+00 -1.5402710000e+00  1.9213030000e+00  2.1416470000e+00 -1.4712670000e+00  2.6771040000e+00  9.5688900000e-01 -9.0823100000e-01
-ENERGY -1.526602641619e+02
-FORCES  9.6399000000e-03  3.1185000000e-03 -9.8484000000e-03  4.6800000000e-05  2.9150000000e-03  4.2870000000e-04 -6.6159000000e-03 -2.9871000000e-03  7.4979000000e-03  1.8366000000e-03  1.9229000000e-03  4.4317000000e-03 -1.8200000000e-04 -5.6187000000e-03  5.5610000000e-04 -4.7254000000e-03  6.4930000000e-04 -3.0659000000e-03
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0701900000e-01 -2.9938000000e-01 -4.1871600000e-01 -1.1908300000e-01 -5.9220400000e-01  7.4252700000e-01  2.2076610000e+00 -3.3498000000e-01 -1.9242100000e+00  3.1630610000e+00 -3.7544100000e-01 -1.8817210000e+00  2.0213320000e+00  5.0746600000e-01 -2.3386950000e+00
-ENERGY -1.526615656711e+02
-FORCES  6.2052000000e-03 -4.0473000000e-03 -2.8117000000e-03 -8.0217000000e-03  2.4696000000e-03  6.2980000000e-03  1.2663000000e-03  1.6083000000e-03 -2.5683000000e-03  3.1745000000e-03  3.8262000000e-03 -2.8398000000e-03 -4.3738000000e-03  5.8300000000e-04 -5.9140000000e-04  1.7495000000e-03 -4.4397000000e-03  2.5133000000e-03
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6735000000e-01  2.3026100000e-01 -3.3303900000e-01 -5.5343500000e-01 -4.0974000000e-02 -7.7991200000e-01  2.6710240000e+00  6.5105400000e-01  3.2166300000e-01  2.9875410000e+00  1.4702600000e+00  7.0238700000e-01  2.7903370000e+00  2.2180000000e-03  1.0152100000e+00
-ENERGY -1.526607147253e+02
-FORCES  8.4773000000e-03  3.0845000000e-03 -1.3672000000e-03 -9.2124000000e-03 -4.2620000000e-03 -1.6899000000e-03  3.5301000000e-03  1.0174000000e-03  2.0328000000e-03 -2.5610000000e-03  5.9780000000e-04  5.5166000000e-03 -5.1090000000e-04 -4.0600000000e-03 -9.9850000000e-04  2.7690000000e-04  3.6224000000e-03 -3.4938000000e-03
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9954500000e-01 -2.7597900000e-01  4.4810200000e-01  1.5179200000e-01 -6.7741800000e-01 -6.5901200000e-01 -2.7342960000e+00  1.9858200000e-01 -1.2774270000e+00 -3.4384170000e+00  7.5052200000e-01 -1.6177330000e+00 -2.3270490000e+00  7.2573500000e-01 -5.9004700000e-01
-ENERGY -1.526556827224e+02
-FORCES -3.1143000000e-03 -6.4981000000e-03 -3.9161000000e-03  1.1947000000e-03  5.1835000000e-03 -2.0617000000e-03  1.2636000000e-03  2.5522000000e-03  3.7036000000e-03  8.5560000000e-04  5.5110000000e-03  5.0720000000e-04  3.5239000000e-03 -1.8441000000e-03  1.4423000000e-03 -3.7234000000e-03 -4.9046000000e-03  3.2460000000e-04
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0633100000e-01 -9.8586000000e-02 -7.3408100000e-01  3.6986800000e-01 -5.4817600000e-01  6.9205000000e-01  5.2720900000e-01 -1.6588780000e+00  1.9344290000e+00  1.4497110000e+00 -1.5327670000e+00  2.1565080000e+00  5.1918000000e-02 -1.3850420000e+00  2.7188670000e+00
-ENERGY -1.526568441916e+02
-FORCES  3.5253000000e-03 -1.4341100000e-02  1.3699500000e-02 -2.3160000000e-04 -1.2574000000e-03  4.0580000000e-03  2.5378000000e-03  8.1061000000e-03 -6.2632000000e-03 -3.7611000000e-03  6.8743000000e-03 -3.1321000000e-03 -5.9650000000e-03  1.9533000000e-03 -4.0665000000e-03  3.8947000000e-03 -1.3352000000e-03 -4.2957000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5068000000e-02 -9.5492900000e-01  1.0422000000e-02 -7.2932600000e-01  2.8424100000e-01 -5.5092900000e-01  2.3116600000e-01  1.8613980000e+00  2.1073570000e+00  1.3421500000e-01  9.3702600000e-01  1.8785180000e+00 -4.4805000000e-02  2.3333620000e+00  1.3216580000e+00
-ENERGY -1.526572918597e+02
-FORCES -2.5713000000e-03 -1.0800000000e-04 -1.8273000000e-03 -2.6200000000e-05  5.1668000000e-03  1.1433000000e-03  3.7899000000e-03 -7.1580000000e-04  3.1237000000e-03 -7.6680000000e-04 -7.5415000000e-03 -1.1853900000e-02  1.1000000000e-06  2.1281000000e-03  6.9681000000e-03 -4.2670000000e-04  1.0704000000e-03  2.4461000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5892200000e-01 -5.2911100000e-01 -5.6910400000e-01  3.2822000000e-02 -4.4309400000e-01  8.4783400000e-01  3.6402900000e-01  2.6916680000e+00 -3.6049600000e-01  1.3000310000e+00  2.7848300000e+00 -5.3784700000e-01  2.2265600000e-01  1.7464290000e+00 -3.0789200000e-01
-ENERGY -1.526600329930e+02
-FORCES  1.9373000000e-03  2.0394000000e-03  2.3083000000e-03 -1.9587000000e-03  3.5696000000e-03  3.6163000000e-03  5.6030000000e-04  5.8800000000e-04 -5.1132000000e-03 -1.1410000000e-04 -1.3920000000e-02  2.2999000000e-03 -2.5175000000e-03 -1.4309000000e-03  3.1730000000e-04  2.0927000000e-03  9.1540000000e-03 -3.4287000000e-03
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9712300000e-01  1.7033700000e-01 -8.0005400000e-01 -4.2226200000e-01  5.4351400000e-01  6.6522100000e-01  1.3474840000e+00  1.2613750000e+00 -3.4843140000e+00  7.3237900000e-01  1.6230910000e+00 -4.1223100000e+00  2.2005610000e+00  1.3176780000e+00 -3.9148030000e+00
-ENERGY -1.526543018270e+02
-FORCES -2.8215000000e-03  3.4487000000e-03 -2.0290000000e-03  4.1280000000e-04 -1.2086000000e-03  4.4065000000e-03  1.6183000000e-03 -2.1858000000e-03 -2.4989000000e-03  2.4631000000e-03  1.6112000000e-03 -4.4353000000e-03  2.0435000000e-03 -1.6673000000e-03  3.1522000000e-03 -3.7161000000e-03  1.8000000000e-06  1.4047000000e-03
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5887000000e-02  9.2751100000e-01 -2.3601400000e-01 -8.0945600000e-01 -1.0666800000e-01  4.9963500000e-01  2.0210000000e+00 -2.6121600000e-01  1.7076530000e+00  1.8021510000e+00 -1.1887850000e+00  1.7968340000e+00  1.3410600000e+00  9.1683000000e-02  1.1337400000e+00
-ENERGY -1.526564400534e+02
-FORCES  1.8577000000e-03  1.7700000000e-05  4.9617000000e-03  2.3357000000e-03 -5.6920000000e-03  4.7533000000e-03  5.4747000000e-03  6.7060000000e-04 -2.1335000000e-03 -1.5311800000e-02 -2.5423000000e-03 -1.3728900000e-02  6.9850000000e-04  1.8563000000e-03  1.2986000000e-03  4.9453000000e-03  5.6898000000e-03  4.8488000000e-03
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9676500000e-01  8.1602500000e-01 -4.6002100000e-01 -6.0435400000e-01 -8.8090000000e-03  7.4223300000e-01 -2.5999600000e-01 -2.0473060000e+00 -1.6634020000e+00 -1.1567420000e+00 -1.9947240000e+00 -1.9940270000e+00 -1.9678800000e-01 -1.3352750000e+00 -1.0268100000e+00
-ENERGY -1.526588278866e+02
-FORCES -2.4810000000e-03 -3.2643000000e-03 -4.3861000000e-03 -3.9000000000e-04 -5.0956000000e-03  2.8456000000e-03  2.3624000000e-03  1.8760000000e-04 -5.4133000000e-03  5.7980000000e-04  1.4355100000e-02  1.1555100000e-02  2.3088000000e-03  1.3820000000e-03  1.8791000000e-03 -2.3799000000e-03 -7.5647000000e-03 -6.4804000000e-03
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9006000000e-01 -1.2835800000e-01 -5.2494000000e-01  8.7008000000e-02 -6.2353100000e-01  7.2102000000e-01 -3.7066000000e-02 -2.0672790000e+00  1.8958070000e+00  2.4340800000e-01 -2.7042360000e+00  1.2386520000e+00 -9.7126600000e-01 -2.2394500000e+00  2.0135310000e+00
-ENERGY -1.526601130686e+02
-FORCES  2.4877000000e-03 -8.1463000000e-03  9.3085000000e-03 -2.5139000000e-03 -1.3575000000e-03  2.1849000000e-03  7.2900000000e-05  5.7542000000e-03 -9.6977000000e-03 -4.2984000000e-03 -2.7720000000e-03 -2.8063000000e-03 -1.0753000000e-03  5.7180000000e-03  2.1503000000e-03  5.3270000000e-03  8.0360000000e-04 -1.1395000000e-03
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0919200000e-01 -1.7296500000e-01 -2.4430400000e-01  6.0065000000e-02  6.3204500000e-01  7.1634000000e-01  1.0704980000e+00 -3.1322410000e+00 -1.5292270000e+00  1.7037400000e+00 -3.0364540000e+00 -8.1784700000e-01  1.1958630000e+00 -2.3516450000e+00 -2.0688430000e+00
-ENERGY -1.526524049410e+02
-FORCES  3.4102000000e-03  1.9281000000e-03  2.4410000000e-03 -3.1061000000e-03  3.3670000000e-04  1.6080000000e-04 -2.5490000000e-04 -2.9712000000e-03 -3.0542000000e-03  1.5920000000e-03  3.2534000000e-03  7.7910000000e-04 -2.1928000000e-03  3.6800000000e-04 -3.1748000000e-03  5.5150000000e-04 -2.9150000000e-03  2.8479000000e-03
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4717300000e-01 -2.7639200000e-01  9.0453300000e-01 -2.1198000000e-02 -8.1245500000e-01 -5.0566700000e-01 -2.8701050000e+00  3.4110800000e-01 -7.3893500000e-01 -2.0024050000e+00  2.0554600000e-01 -3.5821000000e-01 -3.4737280000e+00  2.3831200000e-01 -3.2010000000e-03
-ENERGY -1.526587958195e+02
-FORCES  4.4495000000e-03 -4.7426000000e-03  1.0754000000e-03 -2.3570000000e-03  1.8687000000e-03 -5.6785000000e-03 -2.2418000000e-03  5.1781000000e-03  3.4286000000e-03  7.0625000000e-03  8.7740000000e-04  4.2417000000e-03 -1.0269100000e-02 -3.1118000000e-03 -1.2192000000e-03  3.3559000000e-03 -6.9700000000e-05 -1.8481000000e-03
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4499100000e-01 -8.0438000000e-02  1.2943300000e-01 -1.8473200000e-01 -5.4511800000e-01 -7.6482100000e-01 -4.8792800000e-01 -1.8038670000e+00 -2.0915570000e+00 -4.6785000000e-01 -2.7593590000e+00 -2.1450790000e+00 -3.0367000000e-02 -1.5097180000e+00 -2.8791780000e+00
-ENERGY -1.526603080396e+02
-FORCES -7.2500000000e-05 -9.1769000000e-03 -7.9758000000e-03 -2.5539000000e-03  1.0010000000e-04 -8.9960000000e-04  2.4273000000e-03  8.2930000000e-03  4.5467000000e-03  1.1231000000e-03 -2.3162000000e-03  9.3290000000e-04  5.2840000000e-04  4.5867000000e-03 -1.7396000000e-03 -1.4525000000e-03 -1.4867000000e-03  5.1354000000e-03
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9492900000e-01  8.9735000000e-02  3.2753700000e-01 -5.5052500000e-01  9.2200000000e-02  7.7759500000e-01  1.3742300000e-01 -3.0918420000e+00  1.4761810000e+00 -8.1865000000e-01 -3.0584940000e+00  1.4438780000e+00  3.7876000000e-01 -2.4317640000e+00  2.1260170000e+00
-ENERGY -1.526519281951e+02
-FORCES  2.3430000000e-03 -9.4050000000e-04  3.8839000000e-03 -3.9105000000e-03  3.6230000000e-04 -6.9770000000e-04  2.0398000000e-03 -9.5830000000e-04 -2.4946000000e-03 -3.4413000000e-03  3.8024000000e-03  3.8780000000e-04  3.7459000000e-03 -3.2950000000e-04  1.1790000000e-03 -7.7680000000e-04 -1.9364000000e-03 -2.2584000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9329300000e-01  7.4894200000e-01 -4.4792700000e-01  6.7772100000e-01 -3.0046800000e-01  6.0551200000e-01  9.5721700000e-01  1.9498000000e+00 -1.3867940000e+00  7.6755400000e-01  2.8878670000e+00 -1.3697650000e+00  1.7477020000e+00  1.8744440000e+00 -1.9212910000e+00
-ENERGY -1.526577957624e+02
-FORCES  7.9747000000e-03  1.5165700000e-02 -9.4046000000e-03 -1.8485000000e-03 -5.6160000000e-03  3.7869000000e-03 -5.4650000000e-04  1.9006000000e-03 -2.7235000000e-03 -4.4945000000e-03 -9.1547000000e-03  6.8021000000e-03  2.7214000000e-03 -4.5243000000e-03 -1.5024000000e-03 -3.8066000000e-03  2.2287000000e-03  3.0415000000e-03
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9414900000e-01  5.6206800000e-01 -7.1678900000e-01 -3.6610000000e-02 -8.8635700000e-01 -3.5953200000e-01  2.8101220000e+00  3.6929700000e-01 -9.3575000000e-02  3.3876510000e+00  5.5656400000e-01  6.4644100000e-01  1.9273240000e+00  4.1353000000e-01  2.7377200000e-01
-ENERGY -1.526615905148e+02
-FORCES  2.0010000000e-04 -2.3875000000e-03 -6.0684000000e-03  1.5355000000e-03 -2.9323000000e-03  3.5683000000e-03 -5.7080000000e-04  4.5492000000e-03  1.6380000000e-03 -8.5504000000e-03 -3.4650000000e-04  3.0345000000e-03 -3.4736000000e-03 -7.5840000000e-04 -1.7801000000e-03  1.0859000000e-02  1.8757000000e-03 -3.9240000000e-04
-
-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4433800000e-01 -3.9301000000e-02  1.5137000000e-01 -1.6897600000e-01 -6.8924700000e-01 -6.4235300000e-01  1.2759040000e+00  1.2945640000e+00 -3.2858130000e+00  1.6382990000e+00  4.0923700000e-01 -3.2526820000e+00  1.7432640000e+00  1.7710180000e+00 -2.5996660000e+00
-ENERGY -1.526530454621e+02
-FORCES  2.1317000000e-03 -2.8231000000e-03 -2.7709000000e-03 -3.4040000000e-03  5.4260000000e-04 -1.1484000000e-03  1.2733000000e-03  2.2199000000e-03  3.1658000000e-03  2.6885000000e-03 -7.7090000000e-04  3.7060000000e-03 -1.6939000000e-03  3.0775000000e-03  3.0440000000e-04 -9.9550000000e-04 -2.2460000000e-03 -3.2570000000e-03
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4983300000e-01 -9.0929700000e-01 -1.6429900000e-01 -2.8425100000e-01  4.7214100000e-01 -7.8263400000e-01 -1.9813520000e+00  4.8033600000e-01  1.9532660000e+00 -1.8165600000e+00  1.3995210000e+00  2.1634450000e+00 -1.2094550000e+00  2.0514300000e-01  1.4586190000e+00
-ENERGY -1.526601459475e+02
-FORCES -4.4084000000e-03  2.5490000000e-04 -4.2038000000e-03 -1.5960000000e-04  5.7382000000e-03  2.7290000000e-03  1.9199000000e-03 -2.7379000000e-03  3.5753000000e-03  1.0923800000e-02  1.4759000000e-03 -7.4188000000e-03 -8.5300000000e-04 -2.3702000000e-03 -1.0245000000e-03 -7.4227000000e-03 -2.3610000000e-03  6.3428000000e-03
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0545300000e-01  9.3110500000e-01  1.9533100000e-01 -9.4688400000e-01 -1.2706700000e-01 -5.9140000000e-02 -2.7844690000e+00 -4.8366900000e-01 -4.1139200000e-01 -2.9672410000e+00 -1.3800950000e+00 -1.2988600000e-01 -3.4854440000e+00 -2.7880900000e-01 -1.0301800000e+00
-ENERGY -1.526611914955e+02
-FORCES -1.0276200000e-02  1.7791000000e-03 -1.4505000000e-03 -5.6440000000e-04 -2.5643000000e-03 -8.7650000000e-04  9.0096000000e-03 -6.5480000000e-04  3.4632000000e-03 -9.8040000000e-04 -1.1196000000e-03 -2.7879000000e-03  9.2030000000e-04  4.7494000000e-03 -1.8209000000e-03  1.8910000000e-03 -2.1896000000e-03  3.4725000000e-03
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5372000000e-01 -2.2551400000e-01 -7.4750900000e-01 -1.2567300000e-01 -8.2776600000e-01  4.6394200000e-01 -2.3613800000e-01  2.8965680000e+00  1.3400000000e-02 -4.4994600000e-01  1.9858960000e+00  2.1636400000e-01 -3.8608100000e-01  3.3668070000e+00  8.3353700000e-01
-ENERGY -1.526608110629e+02
-FORCES  2.7434000000e-03 -2.4470000000e-03 -2.1419000000e-03 -2.7981000000e-03 -7.7050000000e-04  3.8784000000e-03  1.2097000000e-03  3.2964000000e-03 -2.4169000000e-03 -3.3430000000e-04 -7.3583000000e-03  3.1407000000e-03 -1.1436000000e-03  9.5520000000e-03 -1.7340000000e-04  3.2280000000e-04 -2.2727000000e-03 -2.2868000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6052700000e-01 -1.0449100000e-01 -6.8484900000e-01 -6.8137000000e-02 -7.9877600000e-01  5.2301600000e-01 -1.9837460000e+00 -6.9483900000e-01 -1.7789280000e+00 -1.6942840000e+00 -1.6030020000e+00 -1.8665890000e+00 -2.7280120000e+00 -7.3707200000e-01 -1.1784980000e+00
-ENERGY -1.526585834567e+02
-FORCES -1.1222300000e-02 -4.6630000000e-03 -9.5286000000e-03  6.9512000000e-03  7.2680000000e-04  7.7890000000e-03 -6.9480000000e-04  1.6601000000e-03 -2.2189000000e-03 -2.0190000000e-04 -3.0784000000e-03  3.2059000000e-03 -6.3730000000e-04  5.6164000000e-03  2.8923000000e-03  5.8052000000e-03 -2.6190000000e-04 -2.1397000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5101000000e-02  9.0923700000e-01  2.9814500000e-01 -8.4086500000e-01 -8.1885000000e-02 -4.4997000000e-01  3.7198480000e+00  4.0763700000e-01 -2.4765000000e-02  3.3089650000e+00  2.7235800000e-01 -8.7864200000e-01  3.4194980000e+00 -3.3034600000e-01  5.0570800000e-01
-ENERGY -1.526567548442e+02
-FORCES -4.0279000000e-03  3.8886000000e-03  1.1100000000e-05 -7.3990000000e-04 -4.1320000000e-03 -1.5188000000e-03  3.6286000000e-03  4.8660000000e-04  1.7404000000e-03 -4.4607000000e-03 -4.5194000000e-03 -1.4762000000e-03  2.9900000000e-03  1.2082000000e-03  2.7989000000e-03  2.6097000000e-03  3.0680000000e-03 -1.5554000000e-03
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2639000000e-02 -9.5114600000e-01 -6.8728000000e-02 -9.0658700000e-01  1.4311100000e-01  2.7175400000e-01  1.8626860000e+00  1.0159050000e+00  1.8510470000e+00  1.7357280000e+00  1.9628790000e+00  1.7931290000e+00  1.1768310000e+00  6.4732400000e-01  1.2942850000e+00
-ENERGY -1.526611431527e+02
-FORCES -1.6068000000e-03 -2.9570000000e-03  5.9550000000e-04 -9.8270000000e-04  5.3367000000e-03  1.1543000000e-03  5.3701000000e-03 -6.4350000000e-04 -7.2950000000e-04 -8.4601000000e-03 -1.7977000000e-03 -9.7397000000e-03 -4.3260000000e-04 -2.7415000000e-03  2.2500000000e-04  6.1121000000e-03  2.8030000000e-03  8.4945000000e-03
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5285700000e-01  8.7771000000e-02 -2.4309000000e-02 -1.5899200000e-01 -7.2317700000e-01  6.0660400000e-01  5.5019000000e-02  1.9193670000e+00  1.9646980000e+00 -1.4746100000e-01  2.8184300000e+00  1.7060120000e+00 -1.1110200000e-01  1.4000790000e+00  1.1779480000e+00
-ENERGY -1.526608346999e+02
-FORCES  3.7611000000e-03 -2.4922000000e-03  4.5240000000e-03 -6.2242000000e-03  1.3714000000e-03  1.4053000000e-03  1.1655000000e-03  4.9575000000e-03 -2.8830000000e-03 -3.0570000000e-03 -6.8830000000e-03 -1.0712100000e-02  7.7090000000e-04 -3.6147000000e-03 -8.8120000000e-04  3.5837000000e-03  6.6610000000e-03  8.5470000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2770800000e-01  9.2625100000e-01  8.0251000000e-02  2.6301000000e-01 -3.8508900000e-01  8.3592100000e-01 -2.8603450000e+00 -1.2019200000e-01 -1.8587000000e-01 -1.9078150000e+00 -1.9017800000e-01 -2.4928700000e-01 -3.1767310000e+00 -3.5305100000e-01 -1.0587440000e+00
-ENERGY -1.526622867981e+02
-FORCES  1.4672000000e-03  2.8512000000e-03  4.1924000000e-03 -8.4680000000e-04 -4.9522000000e-03 -1.7900000000e-05 -1.3818000000e-03  2.5208000000e-03 -4.1987000000e-03  1.0124000000e-02 -8.1090000000e-04 -2.0344000000e-03 -1.1322600000e-02 -4.8950000000e-04 -4.1650000000e-04  1.9600000000e-03  8.8060000000e-04  2.4753000000e-03
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6348000000e-02  9.5339200000e-01  8.3718000000e-02  2.2414900000e-01 -3.2147400000e-01  8.7329500000e-01 -2.8112280000e+00  1.5262000000e-01  7.3453000000e-02 -3.4258600000e+00 -1.3880900000e-01 -5.9999200000e-01 -1.9470900000e+00  1.5084000000e-02 -3.1459600000e-01
-ENERGY -1.526608951005e+02
-FORCES -3.6780000000e-04  1.7649000000e-03  6.7637000000e-03 -1.7155000000e-03 -5.4407000000e-03 -1.1237000000e-03  3.8600000000e-05  2.1513000000e-03 -4.2601000000e-03  8.5384000000e-03 -2.8168000000e-03 -2.5136000000e-03  3.6726000000e-03  5.8590000000e-04  1.6059000000e-03 -1.0166400000e-02  3.7554000000e-03 -4.7210000000e-04
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3573400000e-01 -8.9302300000e-01  3.1673100000e-01  2.4307000000e-01  5.5658100000e-01  7.3984200000e-01 -2.1388760000e+00  5.3540200000e-01 -1.9443490000e+00 -1.9939720000e+00 -6.4770000000e-02 -2.6758050000e+00 -1.3798470000e+00  4.0786100000e-01 -1.3752800000e+00
-ENERGY -1.526615510308e+02
-FORCES  2.0550000000e-04 -9.0840000000e-04  4.2521000000e-03  2.0900000000e-05  4.3981000000e-03 -1.0198000000e-03 -5.7310000000e-04 -3.6330000000e-03 -2.8065000000e-03  7.7435000000e-03 -2.9086000000e-03  4.0972000000e-03 -2.6520000000e-04  1.3132000000e-03  2.6288000000e-03 -7.1314000000e-03  1.7387000000e-03 -7.1518000000e-03
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5837800000e-01  5.9850300000e-01 -5.8984300000e-01  5.6269500000e-01 -5.3454000000e-02  7.7249500000e-01 -2.7871700000e+00  1.6912900000e-01 -5.2515000000e-02 -2.6890030000e+00  9.0906200000e-01 -6.5175900000e-01 -1.9755510000e+00  1.6192000000e-01  4.5488400000e-01
-ENERGY -1.526567081835e+02
-FORCES  1.2677000000e-03  1.7447000000e-03 -2.5579000000e-03 -2.2120000000e-03 -2.6431000000e-03  3.2374000000e-03 -4.5123000000e-03  7.6660000000e-04 -3.4533000000e-03  1.3730300000e-02  1.4188000000e-03 -1.6716000000e-03 -1.2285000000e-03 -1.6486000000e-03  1.0128000000e-03 -7.0453000000e-03  3.6150000000e-04  3.4326000000e-03
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4288000000e-01  6.5305000000e-02 -1.5147400000e-01  7.9875000000e-02 -5.3907800000e-01  7.8692200000e-01  1.5718180000e+00 -3.6147100000e-01 -2.3559270000e+00  9.1845500000e-01 -1.6090800000e-01 -1.6857610000e+00  1.4368540000e+00  3.0489200000e-01 -3.0297060000e+00
-ENERGY -1.526607385857e+02
-FORCES -3.1000000000e-04 -3.5367000000e-03  2.9833000000e-03  5.1657000000e-03 -4.8490000000e-04 -1.9070000000e-04 -2.1716000000e-03  3.1171000000e-03 -3.0403000000e-03 -5.2411000000e-03  3.1160000000e-03  7.6209000000e-03  3.3638000000e-03 -3.6490000000e-04 -1.0241900000e-02 -8.0680000000e-04 -1.8466000000e-03  2.8687000000e-03
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6934700000e-01  1.5291900000e-01  3.7024700000e-01 -6.0540000000e-01  2.4625200000e-01  6.9934400000e-01  1.1910450000e+00 -1.3511130000e+00 -2.9093260000e+00  3.1039500000e-01 -1.0085230000e+00 -2.7566190000e+00  1.6727050000e+00 -1.1400050000e+00 -2.1095330000e+00
-ENERGY -1.526567902786e+02
-FORCES  3.1000000000e-06  2.1489000000e-03  5.9432000000e-03 -3.3029000000e-03 -1.2979000000e-03 -2.5912000000e-03  2.8354000000e-03 -9.0060000000e-04 -2.8649000000e-03 -3.5707000000e-03  2.9917000000e-03  6.0504000000e-03  3.4426000000e-03 -2.0635000000e-03 -3.4178000000e-03  5.9260000000e-04 -8.7850000000e-04 -3.1198000000e-03
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4294500000e-01 -3.6191500000e-01  4.8299400000e-01 -7.5807000000e-02  9.4695000000e-01  1.1734900000e-01  8.3951200000e-01 -1.9498460000e+00 -1.7566990000e+00  7.0487000000e-01 -1.1882690000e+00 -1.1926910000e+00  1.7814310000e+00 -2.1152200000e+00 -1.7158290000e+00
-ENERGY -1.526613951845e+02
-FORCES -1.8458000000e-03 -1.3311000000e-03 -1.5713000000e-03  3.5140000000e-03  3.3567000000e-03 -1.8973000000e-03 -7.1700000000e-04 -4.5599000000e-03  7.9740000000e-04 -9.0890000000e-04  8.8409000000e-03  7.2831000000e-03  2.7093000000e-03 -7.7865000000e-03 -5.0633000000e-03 -2.7516000000e-03  1.4799000000e-03  4.5140000000e-04
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3559800000e-01  9.4665300000e-01  4.1157000000e-02 -8.0526400000e-01 -1.4886300000e-01  4.9560200000e-01 -2.3104610000e+00 -1.9801000000e-02  1.6298940000e+00 -3.2290660000e+00 -2.3641300000e-01  1.7895030000e+00 -2.0680880000e+00  5.5044000000e-01  2.3594910000e+00
-ENERGY -1.526602389625e+02
-FORCES -9.7670000000e-03  1.7905000000e-03  4.8575000000e-03 -1.6450000000e-04 -2.5852000000e-03  7.4090000000e-04  8.1982000000e-03  1.0475000000e-03 -3.0809000000e-03 -9.6740000000e-04  1.3400000000e-05  7.2480000000e-04  4.1609000000e-03  2.1285000000e-03  9.7530000000e-04 -1.4603000000e-03 -2.3947000000e-03 -4.2176000000e-03
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4877900000e-01 -5.9166900000e-01  7.1011800000e-01 -4.7103400000e-01  8.1182100000e-01  1.8789900000e-01 -7.3393000000e-01 -1.7195750000e+00  2.0895140000e+00 -1.6111250000e+00 -1.4307940000e+00  2.3412420000e+00 -8.6491300000e-01 -2.5946680000e+00  1.7244270000e+00
-ENERGY -1.526604237548e+02
-FORCES -3.4239000000e-03 -6.1089000000e-03  1.1331500000e-02  8.6910000000e-04  6.3944000000e-03 -9.2001000000e-03  5.2450000000e-04 -3.0022000000e-03  2.4490000000e-04 -3.1169000000e-03 -2.1045000000e-03 -1.2446000000e-03  4.9368000000e-03 -6.2220000000e-04 -2.7579000000e-03  2.1040000000e-04  5.4434000000e-03  1.6262000000e-03
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1226000000e-02  9.0303600000e-01  3.1146300000e-01 -1.2823600000e-01 -5.3357700000e-01  7.8427200000e-01  1.9276180000e+00 -4.9489600000e-01 -1.9298930000e+00  2.7245350000e+00 -2.4211200000e-01 -1.4637860000e+00  1.2484350000e+00 -5.0600000000e-01 -1.2554910000e+00
-ENERGY -1.526603927739e+02
-FORCES  1.7888000000e-03  2.5473000000e-03  9.8700000000e-05  3.5000000000e-05 -5.0698000000e-03  1.5880000000e-04  1.4223000000e-03  3.3438000000e-03 -3.7600000000e-03 -7.3937000000e-03  2.8483000000e-03  1.0729400000e-02 -2.3316000000e-03 -3.8770000000e-04 -9.8880000000e-04  6.4791000000e-03 -3.2818000000e-03 -6.2381000000e-03
-
-JOB 180
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6138900000e-01  2.3800400000e-01  5.2902900000e-01 -8.7733000000e-02  7.1544200000e-01 -6.2982300000e-01 -6.4294700000e-01  2.0865740000e+00 -1.5492130000e+00 -1.5776470000e+00  2.1254540000e+00 -1.7518350000e+00 -4.9816400000e-01  2.8137640000e+00 -9.4385000000e-01
-ENERGY -1.526591102004e+02
-FORCES -2.4067000000e-03  1.2527200000e-02 -1.0361900000e-02 -2.7360000000e-03  1.5940000000e-03 -2.2392000000e-03  3.7753000000e-03 -6.3635000000e-03  7.6843000000e-03 -3.3716000000e-03 -3.8313000000e-03  6.0122000000e-03  4.9703000000e-03  1.1728000000e-03  1.2875000000e-03 -2.3130000000e-04 -5.0992000000e-03 -2.3829000000e-03
-
-JOB 181
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6411700000e-01 -5.9637800000e-01 -7.0057700000e-01 -7.0343600000e-01 -6.2342000000e-02  6.4616000000e-01 -1.5351900000e-01 -1.5743190000e+00 -2.1590260000e+00  7.6656900000e-01 -1.4108950000e+00 -2.3663010000e+00 -1.8306100000e-01 -2.4981620000e+00 -1.9102860000e+00
-ENERGY -1.526600844613e+02
-FORCES -3.6943000000e-03 -8.8453000000e-03 -1.2430400000e-02  2.3636000000e-03  5.4009000000e-03  9.7277000000e-03  1.4367000000e-03 -1.8212000000e-03 -3.2689000000e-03  5.3494000000e-03  1.1197000000e-03  3.9190000000e-03 -5.6437000000e-03 -1.4254000000e-03  2.0681000000e-03  1.8830000000e-04  5.5713000000e-03 -1.5500000000e-05
-
-JOB 182
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5431600000e-01  6.3400900000e-01  7.0032200000e-01 -1.7983000000e-01 -8.2219300000e-01  4.5595100000e-01  3.7997100000e-01  1.4976630000e+00  2.0950020000e+00  1.1066900000e-01  2.3253600000e+00  1.6967230000e+00  1.3329840000e+00  1.4874520000e+00  2.0061600000e+00
-ENERGY -1.526556631577e+02
-FORCES  8.6900000000e-04  1.0227600000e-02  2.1340500000e-02  2.9374000000e-03  8.6000000000e-04 -9.1965000000e-03  1.0802000000e-03  1.8547000000e-03 -1.0403000000e-03  3.2580000000e-04 -3.2967000000e-03 -7.3844000000e-03  2.0668000000e-03 -7.9785000000e-03 -9.2510000000e-04 -7.2793000000e-03 -1.6671000000e-03 -2.7942000000e-03
-
-JOB 183
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1625600000e-01 -1.0783500000e-01 -4.8819000000e-01 -6.8633000000e-01 -5.4292000000e-02 -6.6500800000e-01 -2.9901730000e+00  6.4774800000e-01  1.1349980000e+00 -2.7019110000e+00 -2.5439200000e-01  9.9614500000e-01 -3.7842510000e+00  5.6732100000e-01  1.6633950000e+00
-ENERGY -1.526544132976e+02
-FORCES  9.3370000000e-04  1.1533000000e-03 -5.2093000000e-03 -3.4331000000e-03  7.0820000000e-04  2.1187000000e-03  2.7448000000e-03 -2.0198000000e-03  3.5250000000e-03 -9.2750000000e-04 -4.1570000000e-03  3.1477000000e-03 -2.7575000000e-03  3.8880000000e-03 -1.5526000000e-03  3.4396000000e-03  4.2730000000e-04 -2.0296000000e-03
-
-JOB 184
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3723700000e-01 -3.7247900000e-01  2.7663200000e-01  6.0224600000e-01 -2.0603200000e-01  7.1490100000e-01 -2.8562690000e+00 -6.3412900000e-01  2.1194300000e-01 -2.9132350000e+00  3.1470500000e-01  9.9251000000e-02 -3.0860250000e+00 -9.9188100000e-01 -6.4564600000e-01
-ENERGY -1.526616236194e+02
-FORCES -6.1780000000e-03 -4.4412000000e-03  3.4784000000e-03  9.3444000000e-03  5.2421000000e-03 -1.3379000000e-03 -2.9205000000e-03  3.3350000000e-04 -2.0155000000e-03 -3.5267000000e-03  2.5030000000e-03 -5.3119000000e-03  2.1351000000e-03 -5.7620000000e-03  8.7050000000e-04  1.1458000000e-03  2.1245000000e-03  4.3164000000e-03
-
-JOB 185
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4909800000e-01 -7.9680000000e-01  4.6828700000e-01 -2.7717600000e-01  7.1305400000e-01  5.7529100000e-01 -5.4801400000e-01  1.9671950000e+00  1.8599500000e+00 -1.4086710000e+00  1.6316110000e+00  2.1107170000e+00  1.7835000000e-02  1.7552610000e+00  2.6023320000e+00
-ENERGY -1.526586145229e+02
-FORCES -2.6990000000e-03  9.6555000000e-03  1.0333100000e-02  2.5020000000e-04  3.3853000000e-03 -1.1580000000e-04 -1.1781000000e-03 -9.3620000000e-03 -5.7537000000e-03  1.4274000000e-03 -2.7039000000e-03  2.9381000000e-03  6.2619000000e-03 -1.1500000000e-03 -3.4074000000e-03 -4.0623000000e-03  1.7510000000e-04 -3.9944000000e-03
-
-JOB 186
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6504800000e-01  8.7178900000e-01 -1.5151000000e-01  9.4466700000e-01  1.4242200000e-01  5.9595000000e-02 -1.8632670000e+00 -8.2495000000e-01  1.8208420000e+00 -2.0792750000e+00 -1.7574210000e+00  1.8125340000e+00 -1.2420220000e+00 -7.1609500000e-01  1.1008160000e+00
-ENERGY -1.526609090351e+02
-FORCES  1.0160000000e-04  1.8454000000e-03  4.7054000000e-03  2.2593000000e-03 -4.9891000000e-03  1.2743000000e-03 -4.3647000000e-03  8.0830000000e-04 -1.4819000000e-03  9.1936000000e-03  8.3690000000e-04 -8.3238000000e-03  1.9120000000e-03  2.6800000000e-03 -8.2300000000e-04 -9.1018000000e-03 -1.1815000000e-03  4.6490000000e-03
-
-JOB 187
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0247700000e-01 -3.1450200000e-01 -6.7404900000e-01 -2.4150000000e-03 -6.9187800000e-01  6.6146100000e-01  1.2482300000e-01 -1.9548260000e+00  1.9742140000e+00  1.0549200000e+00 -2.0799790000e+00  2.1626000000e+00 -2.7414400000e-01 -1.7965030000e+00  2.8297780000e+00
-ENERGY -1.526608815583e+02
-FORCES  6.5920000000e-04 -1.0795000000e-02  7.7309000000e-03 -9.9830000000e-04  2.7550000000e-04  2.8976000000e-03  1.0330000000e-03  7.5589000000e-03 -7.5490000000e-03  1.2249000000e-03  2.9729000000e-03  2.2910000000e-03 -4.9624000000e-03  1.1555000000e-03 -1.4041000000e-03  3.0435000000e-03 -1.1677000000e-03 -3.9665000000e-03
-
-JOB 188
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2382900000e-01  1.8823100000e-01  1.6535100000e-01  2.1708400000e-01  5.2298300000e-01 -7.7174800000e-01 -2.8275690000e+00 -5.1231100000e-01  2.4360800000e-01 -3.4804860000e+00 -5.2067900000e-01  9.4350900000e-01 -3.1262400000e+00  1.7226800000e-01 -3.5504000000e-01
-ENERGY -1.526573144616e+02
-FORCES -8.3153000000e-03 -1.0210000000e-03 -1.9200000000e-05  7.6736000000e-03  4.9381000000e-03 -3.2151000000e-03 -2.3741000000e-03 -1.6942000000e-03  2.5116000000e-03 -4.6039000000e-03 -1.9730000000e-04  9.2170000000e-04  2.8541000000e-03  1.8420000000e-04 -4.0893000000e-03  4.7657000000e-03 -2.2098000000e-03  3.8903000000e-03
-
-JOB 189
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1780000000e-02 -9.1819400000e-01  2.6076800000e-01  4.9265000000e-02  4.8095300000e-01  8.2612900000e-01 -1.9044900000e-01 -2.6775690000e+00 -5.0062000000e-01 -9.7700300000e-01 -2.6721850000e+00 -1.0460880000e+00  4.9042000000e-01 -3.0439540000e+00 -1.0649010000e+00
-ENERGY -1.526604095780e+02
-FORCES  8.2000000000e-05 -1.0280200000e-02 -6.1300000000e-05 -1.0877000000e-03  9.9684000000e-03  3.1105000000e-03 -1.6950000000e-04 -3.8184000000e-03 -2.2938000000e-03  1.1112000000e-03  4.1467000000e-03 -5.3371000000e-03  3.9727000000e-03 -6.3030000000e-04  2.6580000000e-03 -3.9087000000e-03  6.1380000000e-04  1.9237000000e-03
-
-JOB 190
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7773300000e-01 -3.3279200000e-01 -6.8680900000e-01 -3.9031000000e-02  9.4366000000e-01 -1.5561200000e-01 -8.6116300000e-01 -1.9946130000e+00  1.5323130000e+00 -1.7952090000e+00 -1.8939030000e+00  1.7157460000e+00 -5.7654500000e-01 -1.1248390000e+00  1.2517460000e+00
-ENERGY -1.526592814932e+02
-FORCES -4.4420000000e-04 -6.2276000000e-03  1.3172000000e-03 -2.4318000000e-03  4.0700000000e-03  2.5984000000e-03  2.0660000000e-04 -4.8991000000e-03 -3.1770000000e-04  2.0929000000e-03  1.1883900000e-02 -8.1024000000e-03  2.7283000000e-03  8.2800000000e-04 -7.7000000000e-04 -2.1519000000e-03 -5.6551000000e-03  5.2745000000e-03
-
-JOB 191
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1981500000e-01  8.1067100000e-01  4.5904900000e-01 -2.4038000000e-01 -6.9530500000e-01  6.1237200000e-01 -4.5175300000e-01  2.2417320000e+00  1.7894700000e+00 -4.1034700000e-01  3.1651040000e+00  1.5406680000e+00 -1.3299930000e+00  2.1304310000e+00  2.1535300000e+00
-ENERGY -1.526606954861e+02
-FORCES -1.0826000000e-03  6.7257000000e-03  8.7057000000e-03 -4.5780000000e-04 -7.7953000000e-03 -6.6814000000e-03  9.0000000000e-06  2.0913000000e-03 -1.7737000000e-03 -2.1252000000e-03  3.8587000000e-03  9.3980000000e-04 -9.8000000000e-04 -4.7016000000e-03  1.5383000000e-03  4.6367000000e-03 -1.7880000000e-04 -2.7287000000e-03
-
-JOB 192
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9773700000e-01  7.4640100000e-01 -5.6570100000e-01  6.1733900000e-01  7.9804000000e-02  7.2715600000e-01 -1.3583240000e+00 -1.1450440000e+00  2.8360210000e+00 -2.2212480000e+00 -1.5194080000e+00  3.0133520000e+00 -9.7482500000e-01 -1.7264360000e+00  2.1794070000e+00
-ENERGY -1.526554012435e+02
-FORCES  2.5289000000e-03  4.8415000000e-03  1.5856000000e-03 -7.4210000000e-04 -2.8838000000e-03  2.2848000000e-03 -1.7783000000e-03 -1.6862000000e-03 -3.9974000000e-03 -2.9283000000e-03 -3.3385000000e-03 -4.0730000000e-03  3.2978000000e-03  1.3119000000e-03 -4.1130000000e-04 -3.7800000000e-04  1.7551000000e-03  4.6113000000e-03
-
-JOB 193
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9812300000e-01 -3.5323000000e-02  3.2917900000e-01 -5.4521500000e-01 -1.3286400000e-01  7.7544800000e-01 -1.9257750000e+00  1.1920900000e-01  1.7529960000e+00 -2.1104960000e+00 -4.7132900000e-01  2.4833210000e+00 -2.6344970000e+00 -4.0793000000e-02  1.1298230000e+00
-ENERGY -1.526586405294e+02
-FORCES -1.1361500000e-02  1.5616000000e-03  1.3701000000e-02 -3.6811000000e-03 -3.1140000000e-04  1.3127000000e-03  6.2508000000e-03 -2.3778000000e-03 -7.6155000000e-03  2.4438000000e-03 -1.1702000000e-03 -7.0048000000e-03  1.6973000000e-03  2.6417000000e-03 -4.7120000000e-03  4.6507000000e-03 -3.4400000000e-04  4.3186000000e-03
-
-JOB 194
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5467200000e-01  5.9118000000e-01  7.3675900000e-01 -7.4357200000e-01  3.8449800000e-01 -4.6421300000e-01  1.5532030000e+00  2.4487200000e-01 -2.2096730000e+00  1.2276530000e+00 -5.4359500000e-01 -2.6439170000e+00  1.2503190000e+00  1.6321700000e-01 -1.3053360000e+00
-ENERGY -1.526598200310e+02
-FORCES -1.0050000000e-03  3.9386000000e-03 -4.1148000000e-03 -2.8710000000e-04 -2.3794000000e-03 -5.0973000000e-03  4.4873000000e-03 -2.1784000000e-03  2.6843000000e-03 -8.1483000000e-03 -5.1372000000e-03  1.3074600000e-02 -5.5500000000e-05  2.6895000000e-03  9.2570000000e-04  5.0086000000e-03  3.0670000000e-03 -7.4724000000e-03
-
-JOB 195
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3050000000e-01 -8.9279600000e-01  9.9579000000e-02  5.1166800000e-01  5.1618500000e-01  6.2288100000e-01  1.0166230000e+00  1.9936390000e+00  1.4449040000e+00  4.2538900000e-01  2.1695510000e+00  2.1768390000e+00  8.0589800000e-01  2.6677400000e+00  7.9882700000e-01
-ENERGY -1.526606606581e+02
-FORCES  7.3927000000e-03  1.0038800000e-02  8.8769000000e-03  1.9000000000e-04  3.8627000000e-03  1.6710000000e-03 -4.7796000000e-03 -8.2059000000e-03 -6.0924000000e-03 -6.2954000000e-03 -8.4450000000e-04 -4.4136000000e-03  2.7666000000e-03 -1.1533000000e-03 -4.2896000000e-03  7.2570000000e-04 -3.6978000000e-03  4.2478000000e-03
-
-JOB 196
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3722000000e-01  2.2405300000e-01  6.7822000000e-01  8.4912100000e-01  6.8237000000e-02  4.3654300000e-01 -1.0093120000e+00  2.0708960000e+00 -1.5060180000e+00 -1.9225240000e+00  1.7851580000e+00 -1.4809260000e+00 -5.1854200000e-01  1.3392000000e+00 -1.1318570000e+00
-ENERGY -1.526596798836e+02
-FORCES -2.5710000000e-04  4.0539000000e-03  2.9670000000e-03  2.9947000000e-03 -3.0090000000e-04 -5.0614000000e-03 -4.8965000000e-03  5.9300000000e-05 -1.7736000000e-03  4.3087000000e-03 -1.2602000000e-02  5.5487000000e-03  2.7258000000e-03  5.7530000000e-04  1.4998000000e-03 -4.8756000000e-03  8.2144000000e-03 -3.1805000000e-03
-
-JOB 197
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9062800000e-01 -1.9970100000e-01  5.0125800000e-01  7.1096100000e-01 -3.9230100000e-01  5.0681900000e-01 -2.8143460000e+00  2.8597800000e-01 -1.0646000000e-02 -2.7331200000e+00  1.2184800000e+00 -2.1082900000e-01 -2.8486110000e+00 -1.4112900000e-01 -8.6658900000e-01
-ENERGY -1.526604659304e+02
-FORCES -6.3532000000e-03 -8.4350000000e-04  3.0706000000e-03  9.5536000000e-03 -9.6290000000e-04 -7.6560000000e-04 -4.1900000000e-03  1.0845000000e-03 -1.0886000000e-03  2.5171000000e-03  3.3099000000e-03 -6.6407000000e-03 -1.1622000000e-03 -4.3109000000e-03  1.1271000000e-03 -3.6530000000e-04  1.7229000000e-03  4.2973000000e-03
-
-JOB 198
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0014400000e-01 -8.8707700000e-01  2.9878000000e-01 -6.7386200000e-01  1.9127700000e-01 -6.5234600000e-01 -1.7561020000e+00  7.9865800000e-01 -2.1194940000e+00 -2.5420780000e+00  5.9767800000e-01 -1.6114780000e+00 -1.6011450000e+00  1.2416000000e-02 -2.6429860000e+00
-ENERGY -1.526580441277e+02
-FORCES -6.4130000000e-03  2.4774000000e-03 -7.5775000000e-03 -8.0620000000e-04  3.2306000000e-03 -2.5855000000e-03  3.2692000000e-03 -6.7317000000e-03  8.4012000000e-03 -3.2246000000e-03 -1.8374000000e-03 -3.2821000000e-03  7.3509000000e-03 -6.6010000000e-04 -5.6990000000e-04 -1.7620000000e-04  3.5213000000e-03  5.6138000000e-03
-
-JOB 199
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3172900000e-01 -1.2690100000e-01 -1.7891200000e-01 -2.4539100000e-01  7.5748500000e-01 -5.3125500000e-01 -5.1794300000e-01 -2.1558460000e+00 -1.6537090000e+00 -5.4661900000e-01 -1.4834860000e+00 -9.7301700000e-01 -9.3249200000e-01 -1.7463610000e+00 -2.4131190000e+00
-ENERGY -1.526595699044e+02
-FORCES  3.9774000000e-03  5.0050000000e-04 -4.8774000000e-03 -6.0362000000e-03  4.9260000000e-04  3.4610000000e-04  9.3330000000e-04 -5.1570000000e-03  1.4581000000e-03 -6.4960000000e-04  1.1777900000e-02  7.7180000000e-03  7.9100000000e-05 -7.5889000000e-03 -7.2772000000e-03  1.6960000000e-03 -2.5100000000e-05  2.6323000000e-03
-
-JOB 200
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9400000000e-04 -8.8874200000e-01  3.5548300000e-01 -2.4122000000e-02  5.6681700000e-01  7.7095300000e-01 -5.6371700000e-01  1.8100650000e+00  2.1880230000e+00 -1.2995460000e+00  1.2873160000e+00  2.5066470000e+00  1.7469300000e-01  1.5440850000e+00  2.7359620000e+00
-ENERGY -1.526584020471e+02
-FORCES -1.8141000000e-03  5.6440000000e-03  8.0337000000e-03 -4.6900000000e-04  3.8294000000e-03  3.1170000000e-04  3.4480000000e-03 -9.2302000000e-03 -4.8498000000e-03 -2.6774000000e-03 -3.7920000000e-04  4.8093000000e-03  5.4096000000e-03  1.3518000000e-03 -2.4246000000e-03 -3.8971000000e-03 -1.2157000000e-03 -5.8804000000e-03
-
-JOB 201
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6150200000e-01 -3.5280100000e-01 -6.9027400000e-01  2.9931100000e-01 -4.3480400000e-01  7.9849200000e-01  7.5766700000e-01 -1.4287720000e+00  2.1487280000e+00  1.6657910000e+00 -1.2733740000e+00  2.4083310000e+00  2.4369300000e-01 -1.1942840000e+00  2.9214360000e+00
-ENERGY -1.526597938645e+02
-FORCES  5.7091000000e-03 -1.1182400000e-02  1.1969700000e-02 -5.9630000000e-04  8.2570000000e-04  2.5469000000e-03 -2.4551000000e-03  7.1044000000e-03 -6.8290000000e-03 -9.8980000000e-04  3.9053000000e-03 -1.2240000000e-03 -5.3313000000e-03 -1.9950000000e-04 -1.8961000000e-03  3.6633000000e-03 -4.5360000000e-04 -4.5675000000e-03
-
-JOB 202
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6268400000e-01  2.3566000000e-02 -6.9030900000e-01  3.2677500000e-01 -6.4778700000e-01  6.2435700000e-01 -2.7103180000e+00  3.5442700000e-01 -6.2358700000e-01 -1.8189320000e+00  1.3282400000e-01 -8.9294700000e-01 -3.2054550000e+00  3.9394600000e-01 -1.4418220000e+00
-ENERGY -1.526580141601e+02
-FORCES  1.9631000000e-03 -2.4692000000e-03  3.3547000000e-03 -5.2009000000e-03 -5.2840000000e-04  2.2203000000e-03 -1.1620000000e-04  3.3733000000e-03 -3.3424000000e-03  7.8843000000e-03 -1.2951000000e-03  4.2810000000e-04 -8.1829000000e-03  1.2867000000e-03 -5.1254000000e-03  3.6527000000e-03 -3.6730000000e-04  2.4647000000e-03
-
-JOB 203
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8350400000e-01 -4.8754500000e-01 -7.7340700000e-01 -3.4361000000e-02 -6.3862000000e-01  7.1219100000e-01 -2.8325000000e-01  2.3188850000e+00  1.7188250000e+00 -1.1522100000e+00  2.3529410000e+00  2.1188010000e+00 -3.7192500000e-01  1.6865830000e+00  1.0056890000e+00
-ENERGY -1.526608250174e+02
-FORCES  1.1550000000e-04 -4.2636000000e-03 -4.0260000000e-04  1.3984000000e-03  1.1828000000e-03  4.2955000000e-03 -1.1290000000e-03  3.3260000000e-03 -4.0929000000e-03 -2.0373000000e-03 -5.5247000000e-03 -6.0594000000e-03  2.8342000000e-03 -1.0750000000e-03 -1.4327000000e-03 -1.1817000000e-03  6.3545000000e-03  7.6921000000e-03
-
-JOB 204
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1369300000e-01 -9.0108300000e-01  2.4210900000e-01  5.2553600000e-01  5.3852900000e-01  5.9163300000e-01  2.8827070000e+00 -8.8128000000e-02 -6.1839200000e-01  2.6258010000e+00  6.5286400000e-01 -6.9610000000e-02  2.2914860000e+00 -4.6456000000e-02 -1.3700250000e+00
-ENERGY -1.526538729759e+02
-FORCES  6.9507000000e-03 -4.0556000000e-03  4.1723000000e-03 -2.6266000000e-03  3.7476000000e-03 -1.2925000000e-03  3.9780000000e-04  8.6900000000e-05 -3.5935000000e-03 -8.9642000000e-03  3.8693000000e-03 -2.2112000000e-03 -6.2790000000e-04 -2.7176000000e-03  1.0601000000e-03  4.8702000000e-03 -9.3060000000e-04  1.8649000000e-03
-
-JOB 205
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2683900000e-01  2.4426600000e-01 -4.1581600000e-01 -6.4402600000e-01  3.5651000000e-02 -7.0724200000e-01 -3.8881940000e+00  2.2176900000e-01 -4.5455200000e-01 -3.5732130000e+00 -5.1745500000e-01  6.5608000000e-02 -3.7267690000e+00  9.8834200000e-01  9.5484000000e-02
-ENERGY -1.526566863385e+02
-FORCES  1.0911000000e-03  1.1827000000e-03 -5.1993000000e-03 -3.3673000000e-03 -9.1190000000e-04  1.6087000000e-03  3.6267000000e-03 -4.7310000000e-04  3.8796000000e-03  4.4270000000e-04  1.3460000000e-04  5.7658000000e-03 -1.0873000000e-03  3.2272000000e-03 -3.1456000000e-03 -7.0580000000e-04 -3.1595000000e-03 -2.9091000000e-03
-
-JOB 206
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2040800000e-01 -1.1250200000e-01 -6.2015100000e-01 -1.5389700000e-01  9.4452900000e-01  2.0295000000e-02 -1.8774100000e-01 -1.8123770000e+00  2.1178180000e+00  2.1261900000e-01 -1.0863600000e+00  1.6394430000e+00  4.8197100000e-01 -2.0847510000e+00  2.7451380000e+00
-ENERGY -1.526592158107e+02
-FORCES -2.0130000000e-04  1.7813000000e-03 -2.8673000000e-03 -3.0933000000e-03  9.2380000000e-04  4.1300000000e-03  1.4540000000e-03 -4.8288000000e-03 -2.0210000000e-04  1.8140000000e-03  6.3909000000e-03 -5.8849000000e-03  1.4856000000e-03 -6.3475000000e-03  8.2289000000e-03 -1.4591000000e-03  2.0802000000e-03 -3.4045000000e-03
-
-JOB 207
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9506100000e-01 -3.1159300000e-01  1.3419300000e-01  1.4690400000e-01  6.2209200000e-01  7.1249700000e-01  1.0425530000e+00  1.7229440000e+00  1.7789110000e+00  9.7893900000e-01  2.6057020000e+00  1.4143240000e+00  4.5595100000e-01  1.7328170000e+00  2.5352390000e+00
-ENERGY -1.526579912357e+02
-FORCES  5.8255000000e-03  9.0707000000e-03  1.0164300000e-02  3.2120000000e-03  2.7644000000e-03  1.9620000000e-03 -8.2989000000e-03 -5.9307000000e-03 -5.4183000000e-03 -9.3420000000e-04  1.2026000000e-03 -2.1296000000e-03 -8.8140000000e-04 -5.4885000000e-03  2.2965000000e-03  1.0770000000e-03 -1.6184000000e-03 -6.8749000000e-03
-
-JOB 208
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2784100000e-01 -1.5539100000e-01 -1.7662400000e-01 -3.5851000000e-02  9.0181900000e-01  3.1885400000e-01 -6.6911800000e-01 -1.9471820000e+00  1.7570520000e+00 -6.9421200000e-01 -1.2203830000e+00  1.1346660000e+00  1.3049200000e-01 -1.8024420000e+00  2.2629240000e+00
-ENERGY -1.526585995604e+02
-FORCES  2.8596000000e-03 -3.2317000000e-03  3.6101000000e-03 -4.4933000000e-03  2.0068000000e-03  1.9102000000e-03  8.8590000000e-04 -5.5325000000e-03 -5.9770000000e-04  5.7564000000e-03  1.2752300000e-02 -9.5363000000e-03 -3.5713000000e-03 -5.4474000000e-03  5.9311000000e-03 -1.4373000000e-03 -5.4750000000e-04 -1.3174000000e-03
-
-JOB 209
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4551500000e-01  3.6814900000e-01  6.0333100000e-01 -6.1777000000e-02  6.4258600000e-01 -7.0675200000e-01  1.2018360000e+00 -1.1075940000e+00 -3.0051610000e+00  1.3778200000e+00 -2.0176590000e+00 -3.2439990000e+00  1.1906260000e+00 -6.3840500000e-01 -3.8394070000e+00
-ENERGY -1.526536374046e+02
-FORCES  3.5849000000e-03  3.1198000000e-03 -3.0404000000e-03 -2.6047000000e-03 -1.4460000000e-03 -2.0122000000e-03 -9.2780000000e-04 -7.7400000000e-04  4.1461000000e-03  6.3430000000e-04 -3.6612000000e-03 -3.7535000000e-03 -4.0910000000e-04  3.9773000000e-03  4.7970000000e-04 -2.7760000000e-04 -1.2160000000e-03  4.1801000000e-03
-
-JOB 210
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3674300000e-01  1.9455600000e-01 -2.9882000000e-02 -1.8875700000e-01 -1.2913900000e-01  9.2947600000e-01 -1.8652580000e+00 -3.0324200000e-01 -1.8416970000e+00 -1.0550140000e+00 -8.3066000000e-02 -1.3820690000e+00 -1.9234140000e+00 -1.2568180000e+00 -1.7821740000e+00
-ENERGY -1.526582727590e+02
-FORCES -7.7487000000e-03 -1.0053000000e-03 -2.5991000000e-03 -5.1655000000e-03 -1.2600000000e-03  5.6820000000e-04  3.5915000000e-03  4.0620000000e-04 -3.8736000000e-03  1.2288400000e-02 -7.0390000000e-04  1.2125800000e-02 -2.6595000000e-03  3.2590000000e-04 -6.3710000000e-03 -3.0610000000e-04  2.2371000000e-03  1.4970000000e-04
-
-JOB 211
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8858300000e-01 -1.1115300000e-01 -8.1557600000e-01 -9.0164100000e-01 -2.2692600000e-01 -2.2755300000e-01 -2.6267380000e+00 -3.0667700000e-01  8.5729000000e-02 -3.3982660000e+00 -8.6122000000e-02 -4.3612600000e-01 -2.6268640000e+00 -1.2631950000e+00  1.2184500000e-01
-ENERGY -1.526571997514e+02
-FORCES -1.4285800000e-02  5.4980000000e-04 -1.3316000000e-03 -3.8459000000e-03 -7.8600000000e-05  1.9125000000e-03  8.8936000000e-03 -5.4896000000e-03 -9.1300000000e-05  2.4070000000e-03  7.3450000000e-04 -7.3330000000e-04  3.7638000000e-03 -2.2639000000e-03  2.9185000000e-03  3.0673000000e-03  6.5478000000e-03 -2.6749000000e-03
-
-JOB 212
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3373900000e-01  1.6114100000e-01  1.3563700000e-01 -3.8890000000e-02 -8.7478800000e-01 -3.8660800000e-01 -1.8081200000e+00  8.8235700000e-01  1.8703760000e+00 -1.1434680000e+00  4.2819400000e-01  1.3524900000e+00 -1.8561660000e+00  3.8609900000e-01  2.6874750000e+00
-ENERGY -1.526605343665e+02
-FORCES  7.3410000000e-04 -2.6530000000e-04  3.3130000000e-04 -4.8594000000e-03 -1.9875000000e-03 -6.7170000000e-04  1.0134000000e-03  4.3931000000e-03  2.7095000000e-03  8.2847000000e-03 -5.0253000000e-03 -7.4327000000e-03 -6.5742000000e-03  2.3315000000e-03  8.4350000000e-03  1.4014000000e-03  5.5350000000e-04 -3.3715000000e-03
-
-JOB 213
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3603200000e-01  1.7625700000e-01 -4.3152600000e-01  6.6079300000e-01  2.4755500000e-01 -6.4676200000e-01  1.3226780000e+00 -1.1595930000e+00  2.9675490000e+00  1.7954160000e+00 -7.6371200000e-01  2.2354090000e+00  4.2509000000e-01 -1.2563520000e+00  2.6494220000e+00
-ENERGY -1.526574076018e+02
-FORCES -1.5323000000e-03  2.3586000000e-03 -5.4769000000e-03  3.6847000000e-03 -8.0810000000e-04  1.6789000000e-03 -2.5746000000e-03 -1.1224000000e-03  3.1779000000e-03 -3.3524000000e-03  2.4135000000e-03 -6.8069000000e-03  8.1560000000e-04 -1.7216000000e-03  3.6046000000e-03  2.9590000000e-03 -1.1199000000e-03  3.8224000000e-03
-
-JOB 214
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5006000000e-02  9.3425500000e-01 -1.9792400000e-01 -1.1977000000e-02 -4.2807300000e-01 -8.5606200000e-01 -2.1145600000e+00 -7.4107300000e-01  1.6817100000e+00 -1.9395850000e+00 -1.4881300000e-01  2.4130390000e+00 -1.3332430000e+00 -6.8099500000e-01  1.1320130000e+00
-ENERGY -1.526606547891e+02
-FORCES -3.6221000000e-03  2.6868000000e-03 -2.1692000000e-03  9.7170000000e-04 -4.6802000000e-03  4.5090000000e-04 -5.5360000000e-04  2.5108000000e-03  4.5295000000e-03  1.1375700000e-02  4.6562000000e-03 -5.4273000000e-03 -6.5040000000e-04 -9.9820000000e-04 -2.3517000000e-03 -7.5213000000e-03 -4.1754000000e-03  4.9678000000e-03
-
-JOB 215
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5535100000e-01 -5.8087000000e-02  1.2711000000e-02  2.0011700000e-01  4.8867600000e-01 -7.9836200000e-01  9.9030700000e-01  2.0275030000e+00 -1.5039500000e+00  6.7287900000e-01  2.5335460000e+00 -7.5602400000e-01  2.8507600000e-01  2.0840910000e+00 -2.1486820000e+00
-ENERGY -1.526560079757e+02
-FORCES  4.9471000000e-03  7.8745000000e-03 -9.0301000000e-03  3.8152000000e-03  2.7480000000e-03 -1.5990000000e-03 -8.1862000000e-03 -4.4767000000e-03  3.8520000000e-03 -3.0658000000e-03  2.1398000000e-03  5.8522000000e-03  3.6380000000e-04 -3.4084000000e-03 -5.1737000000e-03  2.1259000000e-03 -4.8772000000e-03  6.0986000000e-03
-
-JOB 216
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4742600000e-01  1.1629300000e-01  7.1356000000e-02  3.4542800000e-01  3.2987000000e-01  8.2951600000e-01  6.7270000000e-02  3.2907510000e+00 -2.3508000000e-01  7.7542300000e-01  3.0313820000e+00  3.5439300000e-01  2.4586500000e-01  2.8173510000e+00 -1.0476250000e+00
-ENERGY -1.526558334271e+02
-FORCES -4.3298000000e-03  2.9337000000e-03  4.5208000000e-03  4.0326000000e-03 -1.6753000000e-03 -6.1990000000e-04  2.2400000000e-05 -8.3510000000e-04 -3.5367000000e-03  4.3060000000e-03 -5.4465000000e-03 -2.3216000000e-03 -3.0112000000e-03  9.0470000000e-04 -7.4610000000e-04 -1.0199000000e-03  4.1184000000e-03  2.7034000000e-03
-
-JOB 217
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7561900000e-01 -3.3342500000e-01 -1.9583300000e-01 -5.3874200000e-01 -2.9455800000e-01 -7.3431900000e-01  1.0066110000e+00 -1.4627470000e+00 -2.4990250000e+00  1.8495110000e+00 -1.6658270000e+00 -2.9046220000e+00  8.4463100000e-01 -2.1940950000e+00 -1.9031010000e+00
-ENERGY -1.526568540505e+02
-FORCES  3.1161000000e-03 -1.6583000000e-03 -8.9993000000e-03 -2.3532000000e-03 -1.8750000000e-04  4.4032000000e-03 -4.1210000000e-04 -1.6850000000e-04  4.8630000000e-03  2.7229000000e-03 -4.1301000000e-03 -1.4966000000e-03 -3.6570000000e-03  7.7250000000e-04  2.6902000000e-03  5.8320000000e-04  5.3718000000e-03 -1.4605000000e-03
-
-JOB 218
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2344000000e-02  7.2028400000e-01  6.3029400000e-01 -8.1112800000e-01  1.2586200000e-01 -4.9240400000e-01  1.5326000000e-02  1.7163900000e+00  2.0032250000e+00  9.7093000000e-02  2.6699490000e+00  1.9867740000e+00 -7.4316300000e-01  1.5501830000e+00  2.5629580000e+00
-ENERGY -1.526590325000e+02
-FORCES -5.0390000000e-04  1.2592800000e-02  1.2084900000e-02 -1.2646000000e-03 -6.2830000000e-03 -6.9939000000e-03  1.7673000000e-03  7.5060000000e-04  2.7539000000e-03 -1.8787000000e-03 -4.1707000000e-03 -4.6135000000e-03 -1.7552000000e-03 -5.1908000000e-03  4.6150000000e-04  3.6350000000e-03  2.3011000000e-03 -3.6928000000e-03
-
-JOB 219
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7751100000e-01 -9.3268800000e-01 -1.2171300000e-01 -6.2727200000e-01  3.2655000000e-02  7.2228500000e-01 -1.6655590000e+00  2.6339800000e-01  2.2851530000e+00 -1.4448480000e+00  1.1286200000e+00  2.6299860000e+00 -1.3994460000e+00 -3.4480900000e-01  2.9747180000e+00
-ENERGY -1.526612782726e+02
-FORCES -7.8362000000e-03 -1.6426000000e-03  8.8619000000e-03 -7.8100000000e-04  2.5570000000e-03  1.4486000000e-03  7.3967000000e-03 -5.1160000000e-04 -8.3498000000e-03  2.8759000000e-03  1.6284000000e-03  3.5942000000e-03 -7.8710000000e-04 -5.1374000000e-03 -1.6760000000e-03 -8.6820000000e-04  3.1062000000e-03 -3.8789000000e-03
-
-JOB 220
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0753900000e-01 -9.2405500000e-01 -2.2536500000e-01  6.6023300000e-01  1.6103000000e-01  6.7408700000e-01  9.7312700000e-01 -2.7516730000e+00 -3.7160100000e-01  1.8635640000e+00 -3.0542720000e+00 -5.4989200000e-01  4.1350800000e-01 -3.4791010000e+00 -6.4345800000e-01
-ENERGY -1.526607325777e+02
-FORCES  5.6197000000e-03 -9.0529000000e-03  1.0899000000e-03 -5.0171000000e-03  7.2016000000e-03  4.9690000000e-04 -1.7514000000e-03  6.8580000000e-04 -1.8706000000e-03  2.5218000000e-03 -2.5147000000e-03 -1.7884000000e-03 -4.3691000000e-03  2.3000000000e-05  1.0710000000e-03  2.9960000000e-03  3.6572000000e-03  1.0012000000e-03
-
-JOB 221
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6367100000e-01 -2.9780000000e-02  7.7305900000e-01 -8.8620100000e-01 -1.0952300000e-01  3.4479700000e-01  1.4213030000e+00 -3.4988400000e-01  2.0687460000e+00  1.4646200000e+00  4.4968400000e-01  2.5931950000e+00  2.2462510000e+00 -3.6356600000e-01  1.5834560000e+00
-ENERGY -1.526543290476e+02
-FORCES  1.2085200000e-02 -5.3036000000e-03  2.4155500000e-02  1.4558000000e-03  3.4135000000e-03 -8.3689000000e-03  2.4072000000e-03  8.4480000000e-04  3.4350000000e-04 -6.3889000000e-03  2.9943000000e-03 -1.1597100000e-02 -1.2580000000e-03 -4.2573000000e-03 -5.1388000000e-03 -8.3013000000e-03  2.3083000000e-03  6.0570000000e-04
-
-JOB 222
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1585900000e-01 -2.4844900000e-01  1.2532900000e-01  3.7851400000e-01 -2.7435000000e-02  8.7875300000e-01 -2.9284630000e+00 -6.8907000000e-02 -1.1457400000e-01 -3.0274050000e+00 -8.2617100000e-01 -6.9163000000e-01 -3.5742190000e+00 -2.0892700000e-01  5.7797700000e-01
-ENERGY -1.526596313183e+02
-FORCES -8.5024000000e-03  7.2510000000e-04  3.1631000000e-03  9.8923000000e-03 -3.1154000000e-03 -1.0072000000e-03 -1.9134000000e-03  3.7000000000e-06 -2.5906000000e-03 -5.1729000000e-03 -1.5143000000e-03 -4.7360000000e-04  2.3140000000e-03  3.6334000000e-03  4.4330000000e-03  3.3823000000e-03  2.6750000000e-04 -3.5247000000e-03
-
-JOB 223
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9425500000e-01 -9.2989900000e-01  1.1741000000e-01  9.3442300000e-01  2.5828000000e-02 -2.0596000000e-01  2.5594560000e+00  2.0865710000e+00  1.8055700000e+00  2.5580210000e+00  3.0075990000e+00  1.5449210000e+00  2.2433840000e+00  1.6180400000e+00  1.0330360000e+00
-ENERGY -1.526528959297e+02
-FORCES  1.9447000000e-03 -5.5856000000e-03 -4.7400000000e-05  6.0570000000e-04  4.0917000000e-03 -9.1680000000e-04 -2.7553000000e-03  2.4992000000e-03  2.0920000000e-03 -2.9784000000e-03  2.5397000000e-03 -3.8202000000e-03  4.1780000000e-04 -3.8326000000e-03  1.1770000000e-03  2.7656000000e-03  2.8770000000e-04  1.5155000000e-03
-
-JOB 224
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3025200000e-01 -1.0147900000e-01  2.0140800000e-01 -3.7957000000e-02  7.5796400000e-01 -5.8333600000e-01 -5.4005000000e-01 -2.4226280000e+00 -2.0054210000e+00 -7.4123800000e-01 -3.3318660000e+00 -1.7839650000e+00 -8.0932000000e-01 -1.9227130000e+00 -1.2348300000e+00
-ENERGY -1.526596159234e+02
-FORCES  5.5592000000e-03  3.7492000000e-03 -1.9427000000e-03 -4.1259000000e-03  1.0173000000e-03 -3.1520000000e-04  1.4730000000e-04 -3.2269000000e-03  2.9245000000e-03 -1.4579000000e-03  1.2285000000e-03  5.5344000000e-03  1.0041000000e-03  3.4976000000e-03 -2.5390000000e-04 -1.1268000000e-03 -6.2657000000e-03 -5.9471000000e-03
-
-JOB 225
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1458400000e-01 -7.5614200000e-01  4.9549800000e-01  7.2013100000e-01  2.1491900000e-01 -5.9283500000e-01  8.1568200000e-01 -2.0036850000e+00  1.9658250000e+00  1.0928530000e+00 -2.8749220000e+00  1.6823580000e+00  1.6031490000e+00 -1.6126170000e+00  2.3442350000e+00
-ENERGY -1.526606280837e+02
-FORCES  3.7681000000e-03 -6.9209000000e-03  4.8117000000e-03 -1.2103000000e-03  7.6855000000e-03 -8.0985000000e-03 -1.6557000000e-03 -1.3612000000e-03  2.6915000000e-03  3.6628000000e-03 -2.3764000000e-03  3.1868000000e-03 -8.2010000000e-04  5.1899000000e-03  8.0650000000e-04 -3.7448000000e-03 -2.2169000000e-03 -3.3980000000e-03
-
-JOB 226
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1648800000e-01  1.6225300000e-01  6.1363700000e-01 -2.2529100000e-01 -8.3132000000e-01 -4.1759200000e-01 -1.9835430000e+00  8.5066600000e-01  1.7026260000e+00 -1.9286360000e+00  1.8048310000e+00  1.6498400000e+00 -2.7387280000e+00  6.2336200000e-01  1.1601680000e+00
-ENERGY -1.526598424476e+02
-FORCES -9.6038000000e-03  2.1756000000e-03  9.7977000000e-03  5.4710000000e-03 -3.8129000000e-03 -9.5420000000e-03 -1.4039000000e-03  3.0071000000e-03  2.0812000000e-03  1.7450000000e-04  4.0826000000e-03 -3.5591000000e-03 -9.5450000000e-04 -5.5180000000e-03 -1.0750000000e-04  6.3166000000e-03  6.5600000000e-05  1.3297000000e-03
-
-JOB 227
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5569100000e-01  3.4789000000e-02  4.0934000000e-02 -1.9484100000e-01 -8.8378100000e-01 -3.1177000000e-01  2.7835630000e+00 -1.2309400000e-01 -2.8481200000e-01  3.0053560000e+00  3.0342300000e-01 -1.1125330000e+00  3.4348390000e+00  2.0396000000e-01  3.3575800000e-01
-ENERGY -1.526616059487e+02
-FORCES  1.2602600000e-02 -3.6769000000e-03 -1.1184000000e-03 -9.7577000000e-03  1.6754000000e-03  7.4120000000e-04  3.3590000000e-04  2.5514000000e-03  4.5010000000e-04  7.4240000000e-04  2.6085000000e-03 -1.0871000000e-03 -7.1010000000e-04 -2.0583000000e-03  4.8478000000e-03 -3.2131000000e-03 -1.1001000000e-03 -3.8336000000e-03
-
-JOB 228
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2039000000e-01 -9.4959500000e-01  2.8550000000e-03 -7.9963000000e-01  1.3900600000e-01 -5.0744600000e-01  2.4392900000e-01 -2.6022980000e+00  6.5800000000e-03  9.0086900000e-01 -2.9363980000e+00 -6.0418900000e-01  2.2992700000e-01 -3.2426470000e+00  7.1790900000e-01
-ENERGY -1.526590985005e+02
-FORCES -4.3110000000e-04 -1.8803800000e-02  2.0080000000e-04  4.9710000000e-04  7.6805000000e-03 -2.4942000000e-03  2.1145000000e-03 -1.3813000000e-03  1.0450000000e-03  3.2560000000e-04  9.3789000000e-03  2.2387000000e-03 -3.6005000000e-03  1.4327000000e-03  4.0379000000e-03  1.0944000000e-03  1.6930000000e-03 -5.0284000000e-03
-
-JOB 229
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4671300000e-01 -3.7255000000e-01  6.9176800000e-01 -2.5380600000e-01 -4.7750200000e-01 -7.8981400000e-01  2.7180220000e+00  2.5544700000e-01  4.7527100000e-01  1.7964010000e+00  4.9399000000e-02  3.1909400000e-01  2.8990950000e+00  9.9758100000e-01 -1.0151400000e-01
-ENERGY -1.526611441620e+02
-FORCES  9.2100000000e-05 -2.1359000000e-03  8.0560000000e-04  2.7406000000e-03  1.2480000000e-03 -4.4160000000e-03  1.4234000000e-03  2.3667000000e-03  4.5356000000e-03 -1.3670100000e-02  1.4108000000e-03 -3.5840000000e-03  9.8564000000e-03 -6.1510000000e-04  1.6003000000e-03 -4.4240000000e-04 -2.2746000000e-03  1.0585000000e-03
-
-JOB 230
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7769700000e-01 -7.3604700000e-01  2.0182500000e-01  2.9639400000e-01  7.0317500000e-01  5.7786500000e-01 -2.9197840000e+00 -8.0587300000e-01  1.5824070000e+00 -2.8828160000e+00  2.0856000000e-02  1.1013820000e+00 -3.6712130000e+00 -7.0970100000e-01  2.1675020000e+00
-ENERGY -1.526550170618e+02
-FORCES  3.7295000000e-03 -2.1885000000e-03  4.1008000000e-03 -1.2819000000e-03  3.5385000000e-03 -1.3664000000e-03 -1.7942000000e-03 -2.3079000000e-03 -2.5699000000e-03 -1.9072000000e-03  4.0521000000e-03 -1.4236000000e-03 -2.2261000000e-03 -2.7714000000e-03  3.5427000000e-03  3.4799000000e-03 -3.2280000000e-04 -2.2836000000e-03
-
-JOB 231
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4308400000e-01 -1.7345700000e-01 -4.1875300000e-01 -6.4919200000e-01 -2.1144900000e-01 -6.7087300000e-01 -1.6567670000e+00 -8.0446400000e-01 -2.0197060000e+00 -2.5635350000e+00 -4.9826800000e-01 -2.0039510000e+00 -1.2511380000e+00 -3.1658300000e-01 -2.7364140000e+00
-ENERGY -1.526593096391e+02
-FORCES -8.1170000000e-03 -6.8810000000e-03 -1.1652300000e-02 -2.8048000000e-03  9.1350000000e-04 -6.5200000000e-05  6.6195000000e-03  5.8253000000e-03  5.7269000000e-03 -1.9100000000e-04  3.0458000000e-03  2.5780000000e-04  5.5781000000e-03 -9.3720000000e-04 -2.1480000000e-04 -1.0847000000e-03 -1.9664000000e-03  5.9475000000e-03
-
-JOB 232
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1089200000e-01 -2.6584100000e-01 -1.2584400000e-01  5.6352000000e-02  8.6356900000e-01  4.0903000000e-01 -6.7828400000e-01 -1.7884100000e+00  1.9602120000e+00 -4.9475600000e-01 -1.1840990000e+00  1.2409370000e+00  5.6490000000e-03 -1.6084800000e+00  2.6052640000e+00
-ENERGY -1.526591980601e+02
-FORCES  2.1156000000e-03  5.8020000000e-04  2.8710000000e-03 -5.5462000000e-03  9.5920000000e-04  3.2000000000e-03  6.3860000000e-04 -5.6787000000e-03 -1.2535000000e-03  4.2560000000e-03  1.0956700000e-02 -1.0223500000e-02 -1.6880000000e-04 -7.2209000000e-03  8.1752000000e-03 -1.2952000000e-03  4.0350000000e-04 -2.7692000000e-03
-
-JOB 233
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3229000000e-01  1.8368300000e-01 -1.1544600000e-01 -1.2266800000e-01 -8.6866000000e-01 -3.8290300000e-01  2.6790620000e+00  6.9220000000e-02  4.7924000000e-02  3.0750020000e+00  6.6166400000e-01 -5.9119600000e-01  3.1813750000e+00  2.1130800000e-01  8.5024800000e-01
-ENERGY -1.526593023306e+02
-FORCES  1.6615700000e-02 -2.4788000000e-03  2.2060000000e-04 -8.1161000000e-03  2.2433000000e-03 -3.4791000000e-03  4.4820000000e-04  2.3030000000e-03  8.3230000000e-04 -4.1435000000e-03  8.9320000000e-04  3.7938000000e-03 -3.8690000000e-03 -2.7541000000e-03  3.8717000000e-03 -9.3520000000e-04 -2.0650000000e-04 -5.2394000000e-03
-
-JOB 234
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4137200000e-01 -3.4507600000e-01  2.9874400000e-01 -6.0755800000e-01 -1.9889900000e-01  7.1242100000e-01  6.8443300000e-01  2.5571710000e+00 -1.7727800000e-01 -1.8139000000e-02  2.9305640000e+00  3.5489000000e-01  4.6120800000e-01  1.6294240000e+00 -2.5269200000e-01
-ENERGY -1.526579339801e+02
-FORCES  1.9333000000e-03  7.3194000000e-03  4.2764000000e-03 -4.9852000000e-03  3.8640000000e-03 -1.6184000000e-03  3.7594000000e-03  9.5330000000e-04 -3.2224000000e-03 -8.6491000000e-03 -1.7631200000e-02  1.8116000000e-03  1.5484000000e-03 -1.3981000000e-03 -8.2670000000e-04  6.3931000000e-03  6.8925000000e-03 -4.2040000000e-04
-
-JOB 235
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3814100000e-01 -1.6934700000e-01 -8.6284000000e-02  2.7871000000e-01 -5.5760100000e-01  7.2638400000e-01 -4.1687600000e-01  2.6645920000e+00 -1.0623300000e-01 -1.3328000000e-01  1.7522590000e+00 -4.7481000000e-02  1.1311300000e-01  3.1231140000e+00  5.4576500000e-01
-ENERGY -1.526600337013e+02
-FORCES -3.0421000000e-03  3.0755000000e-03  2.7198000000e-03  5.9601000000e-03  2.0951000000e-03  1.2970000000e-03 -2.3176000000e-03  2.3505000000e-03 -3.5820000000e-03  5.7713000000e-03 -1.3793500000e-02  2.3245000000e-03 -5.2904000000e-03  8.6596000000e-03 -1.4047000000e-03 -1.0814000000e-03 -2.3872000000e-03 -1.3547000000e-03
-
-JOB 236
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.9522000000e-02  9.2357600000e-01  2.3094200000e-01 -7.1704200000e-01 -4.4013300000e-01  4.5647100000e-01  9.3055000000e-01 -2.2520840000e+00 -1.3118240000e+00  1.8474470000e+00 -2.4331530000e+00 -1.5185760000e+00  9.4293200000e-01 -1.3860670000e+00 -9.0428000000e-01
-ENERGY -1.526609861192e+02
-FORCES -2.2638000000e-03 -1.1511000000e-03  2.2410000000e-04 -8.6460000000e-04 -4.2808000000e-03 -1.1390000000e-04  3.5335000000e-03  3.6723000000e-03 -1.6191000000e-03 -5.4600000000e-05  8.4885000000e-03  3.4712000000e-03 -2.7328000000e-03  1.9564000000e-03  1.0262000000e-03  2.3823000000e-03 -8.6854000000e-03 -2.9884000000e-03
-
-JOB 237
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4648900000e-01 -1.2043700000e-01 -7.6712000000e-02  1.0148500000e-01  6.9684100000e-01  6.4834100000e-01  2.1510320000e+00  6.1855500000e-01 -1.8723390000e+00  1.4283950000e+00  2.9741300000e-01 -1.3329920000e+00  2.1245830000e+00  7.3095000000e-02 -2.6584730000e+00
-ENERGY -1.526617013678e+02
-FORCES -3.3544000000e-03  2.7420000000e-03  1.7382000000e-03  4.1268000000e-03  8.6880000000e-04  1.3500000000e-03 -1.1311000000e-03 -3.6084000000e-03 -3.5437000000e-03 -7.4305000000e-03 -4.5614000000e-03  3.4506000000e-03  8.3471000000e-03  3.0524000000e-03 -5.4535000000e-03 -5.5790000000e-04  1.5067000000e-03  2.4584000000e-03
-
-JOB 238
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1583000000e-02 -4.6944400000e-01 -8.3258200000e-01  8.9644100000e-01 -7.2230000000e-03  3.3551900000e-01  2.7437780000e+00  2.2584900000e-01 -4.2000000000e-05  2.9306050000e+00  1.1132960000e+00 -3.0625600000e-01  3.3900330000e+00  6.8461000000e-02  6.8830000000e-01
-ENERGY -1.526602427412e+02
-FORCES  1.4522900000e-02 -1.5349000000e-03 -2.1413000000e-03 -1.2972000000e-03  1.5675000000e-03  1.7185000000e-03 -8.2520000000e-03 -1.6050000000e-04  2.2467000000e-03 -9.9250000000e-04  3.5786000000e-03 -7.5640000000e-04  1.2470000000e-04 -4.8796000000e-03  2.0921000000e-03 -4.1058000000e-03  1.4290000000e-03 -3.1597000000e-03
-
-JOB 239
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4506200000e-01 -1.7283600000e-01 -4.1500600000e-01  1.1845600000e-01 -7.2462700000e-01  6.1409800000e-01 -3.0312530000e+00  6.5156300000e-01  9.7590900000e-01 -2.1870660000e+00  8.0178100000e-01  1.4013680000e+00 -2.9803090000e+00  1.1485520000e+00  1.5942900000e-01
-ENERGY -1.526572210089e+02
-FORCES -3.1810000000e-03 -6.0052000000e-03 -2.1580000000e-04  4.0777000000e-03  2.9307000000e-03  1.3980000000e-03 -4.3070000000e-04  3.9135000000e-03 -1.9381000000e-03  4.6289000000e-03  5.1024000000e-03 -2.7180000000e-04 -5.1598000000e-03 -2.1013000000e-03 -1.2707000000e-03  6.4800000000e-05 -3.8400000000e-03  2.2985000000e-03
-
-JOB 240
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2945400000e-01  9.3101400000e-01 -1.8079500000e-01  3.2671700000e-01 -4.4411400000e-01 -7.8246400000e-01  8.0493600000e-01 -2.2089260000e+00 -1.4030320000e+00  1.7131170000e+00 -2.1566950000e+00 -1.7008780000e+00  8.3031500000e-01 -2.8120180000e+00 -6.6015400000e-01
-ENERGY -1.526596202617e+02
-FORCES  2.4207000000e-03 -7.5267000000e-03 -7.0345000000e-03  9.6830000000e-04 -4.3353000000e-03 -1.2509000000e-03 -9.6630000000e-04  9.8435000000e-03  4.2728000000e-03  1.2266000000e-03 -1.4050000000e-03  6.8553000000e-03 -4.6930000000e-03  1.6321000000e-03  1.9937000000e-03  1.0437000000e-03  1.7915000000e-03 -4.8364000000e-03
-
-JOB 241
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2111500000e-01  1.8258200000e-01 -7.8187900000e-01 -3.0271600000e-01  6.3934200000e-01  6.4485400000e-01  1.6561800000e+00 -3.3472780000e+00 -1.4860390000e+00  1.6093570000e+00 -4.2273490000e+00 -1.8595550000e+00  1.5751770000e+00 -3.4826450000e+00 -5.4192700000e-01
-ENERGY -1.526543381409e+02
-FORCES -3.2173000000e-03  3.3683000000e-03 -1.6269000000e-03  1.6873000000e-03 -1.8800000000e-04  3.6844000000e-03  1.3077000000e-03 -2.8105000000e-03 -2.5200000000e-03 -6.3280000000e-04 -3.3600000000e-03  3.2891000000e-03  8.8500000000e-05  3.6623000000e-03  1.3622000000e-03  7.6660000000e-04 -6.7220000000e-04 -4.1889000000e-03
-
-JOB 242
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2252100000e-01  9.3791000000e-01  1.4678000000e-01  3.1337100000e-01 -6.2784000000e-02 -9.0226900000e-01 -2.6015610000e+00 -6.9475600000e-01 -6.6486300000e-01 -2.8567700000e+00 -1.1952190000e+00  1.1014500000e-01 -1.7365530000e+00 -3.4526700000e-01 -4.5073900000e-01
-ENERGY -1.526596461494e+02
-FORCES  1.2369000000e-03  1.5430000000e-03 -2.8130000000e-03 -2.1094000000e-03 -6.4012000000e-03 -1.9267000000e-03 -4.4885000000e-03  7.9160000000e-04  5.1908000000e-03  1.3490700000e-02  8.9380000000e-04  7.2488000000e-03  4.4370000000e-04  1.6398000000e-03 -2.0612000000e-03 -8.5735000000e-03  1.5331000000e-03 -5.6386000000e-03
-
-JOB 243
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3764000000e-02  9.4920200000e-01 -9.0724000000e-02 -2.1195400000e-01 -3.4366500000e-01 -8.6787200000e-01  2.8050250000e+00  1.9833370000e+00 -1.5898810000e+00  2.0077860000e+00  2.1198930000e+00 -2.1017350000e+00  2.5668530000e+00  1.3136240000e+00 -9.4879500000e-01
-ENERGY -1.526551822072e+02
-FORCES -4.0218000000e-03  1.4764000000e-03 -2.8518000000e-03  1.9206000000e-03 -4.4714000000e-03 -5.3030000000e-04  1.7071000000e-03  2.1883000000e-03  3.7025000000e-03 -3.3732000000e-03 -3.2072000000e-03  8.7330000000e-04  2.4666000000e-03 -4.7450000000e-04  2.4255000000e-03  1.3007000000e-03  4.4883000000e-03 -3.6192000000e-03
-
-JOB 244
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4513900000e-01 -2.7857500000e-01  5.3234900000e-01 -1.1292000000e-02  9.5567700000e-01  5.2782000000e-02 -2.7744010000e+00  4.6491200000e-01 -1.4830850000e+00 -2.4572300000e+00  9.8044000000e-01 -7.4155600000e-01 -2.5096740000e+00 -4.3271600000e-01 -1.2820500000e+00
-ENERGY -1.526518219244e+02
-FORCES -1.9321000000e-03  3.5723000000e-03  1.6198000000e-03  1.1975000000e-03  1.5780000000e-03 -4.3654000000e-03 -1.4246000000e-03 -4.3625000000e-03  1.2390000000e-04  6.4944000000e-03 -2.6986000000e-03  2.9420000000e-03 -1.1989000000e-03 -1.1568000000e-03 -9.2270000000e-04 -3.1362000000e-03  3.0676000000e-03  6.0250000000e-04
-
-JOB 245
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3274600000e-01 -4.8217000000e-02  8.5243100000e-01  9.5665000000e-02 -8.7854700000e-01 -3.6774300000e-01  4.8774000000e-01 -2.1009540000e+00 -1.4544440000e+00  1.3796060000e+00 -1.8601240000e+00 -1.7050570000e+00 -3.9065000000e-02 -1.9119550000e+00 -2.2309670000e+00
-ENERGY -1.526585315993e+02
-FORCES  2.9065000000e-03 -1.7855400000e-02 -9.1101000000e-03  1.2050000000e-04 -1.8400000000e-03 -3.6527000000e-03 -1.0441000000e-03  9.3680000000e-03  4.6157000000e-03 -1.9030000000e-04  1.1453900000e-02  1.4616000000e-03 -5.1981000000e-03 -8.9190000000e-04  1.9142000000e-03  3.4056000000e-03 -2.3450000000e-04  4.7713000000e-03
-
-JOB 246
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0811900000e-01  7.9737100000e-01 -4.8694800000e-01 -7.5166800000e-01 -3.7310000000e-01 -4.6046000000e-01  1.9539700000e+00 -2.1035200000e-01 -1.8010710000e+00  2.8753390000e+00 -4.6978700000e-01 -1.8032150000e+00  1.6123060000e+00 -5.4515800000e-01 -9.7197300000e-01
-ENERGY -1.526601940640e+02
-FORCES  5.3120000000e-04  3.2725000000e-03 -8.7204000000e-03 -3.8990000000e-04 -5.3986000000e-03  3.4143000000e-03  3.8556000000e-03  1.5057000000e-03  1.8871000000e-03 -5.7899000000e-03 -2.1997000000e-03  8.0722000000e-03 -4.2244000000e-03  1.4240000000e-04  2.4131000000e-03  6.0174000000e-03  2.6777000000e-03 -7.0663000000e-03
-
-JOB 247
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1367000000e-02  9.5472500000e-01 -4.5756000000e-02 -6.6004800000e-01 -3.0593500000e-01 -6.2207100000e-01 -1.0950400000e-01 -1.6903510000e+00  2.1722120000e+00 -3.0842000000e-02 -1.0158600000e+00  1.4975970000e+00 -1.0516950000e+00 -1.8365340000e+00  2.2567080000e+00
-ENERGY -1.526602430603e+02
-FORCES -2.1126000000e-03 -5.2720000000e-04  6.4050000000e-04 -6.7390000000e-04 -5.1097000000e-03 -5.8750000000e-04  2.6483000000e-03  2.4190000000e-03  3.9633000000e-03 -1.1974000000e-03  9.1366000000e-03 -1.0131800000e-02 -1.0850000000e-03 -6.5260000000e-03  7.3745000000e-03  2.4206000000e-03  6.0730000000e-04 -1.2590000000e-03
-
-JOB 248
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1756000000e-02 -9.3450700000e-01 -2.0293900000e-01 -6.4281400000e-01  1.2284500000e-01  6.9852100000e-01  1.7039480000e+00  3.2474400000e-01  1.9924100000e+00  1.4635170000e+00  1.1894480000e+00  2.3251430000e+00  1.0387360000e+00  1.2790700000e-01  1.3328800000e+00
-ENERGY -1.526540254537e+02
-FORCES  2.7415000000e-03 -2.1130000000e-03  4.8130000000e-03  9.7270000000e-04  5.8077000000e-03  2.9289000000e-03  1.0676000000e-02 -1.3310000000e-04  3.7900000000e-05 -1.0264800000e-02  3.1810000000e-04 -1.6726200000e-02 -1.4182000000e-03 -3.1022000000e-03 -1.7594000000e-03 -2.7072000000e-03 -7.7760000000e-04  1.0705900000e-02
-
-JOB 249
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4327900000e-01  9.2221700000e-01 -2.1264700000e-01 -5.6059600000e-01 -1.6119000000e-01  7.5893500000e-01  2.5929750000e+00  3.3240400000e-01  3.9681400000e-01  1.6956790000e+00  1.5218000000e-02  4.9920500000e-01  2.5233060000e+00  1.0507490000e+00 -2.3196200000e-01
-ENERGY -1.526558284020e+02
-FORCES  5.3783000000e-03  5.0331000000e-03  1.3188000000e-03  2.4822000000e-03 -4.8335000000e-03  1.5432000000e-03  5.1466000000e-03  1.3546000000e-03 -3.4683000000e-03 -1.9461000000e-02 -2.3211000000e-03 -5.5661000000e-03  6.8474000000e-03  1.4099000000e-03  4.4707000000e-03 -3.9340000000e-04 -6.4310000000e-04  1.7017000000e-03
-
-JOB 250
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4722100000e-01 -4.3374100000e-01  1.0157100000e-01  5.8320800000e-01 -4.6999100000e-01  5.9599400000e-01  2.1624250000e+00 -8.0881400000e-01  1.6394160000e+00  2.8447430000e+00 -5.4514300000e-01  1.0220400000e+00  2.1481120000e+00 -1.1049600000e-01  2.2939210000e+00
-ENERGY -1.526619166555e+02
-FORCES  6.0741000000e-03 -5.6070000000e-03  6.6326000000e-03  3.4055000000e-03  8.3830000000e-04  9.0930000000e-04 -8.2804000000e-03  4.3391000000e-03 -6.6541000000e-03  3.2697000000e-03  5.0851000000e-03 -4.8600000000e-04 -4.1647000000e-03 -1.0656000000e-03  3.4189000000e-03 -3.0420000000e-04 -3.5899000000e-03 -3.8207000000e-03
-
-JOB 251
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0957200000e-01 -2.5385300000e-01  1.5642900000e-01  5.2497000000e-02  6.7775200000e-01 -6.7389000000e-01  1.0545840000e+00  3.0645760000e+00  1.3985330000e+00  1.3601300000e-01  3.0768550000e+00  1.1296330000e+00  1.5368910000e+00  3.3362880000e+00  6.1764600000e-01
-ENERGY -1.526537691688e+02
-FORCES  5.5463000000e-03  2.1716000000e-03 -5.0900000000e-04 -3.8848000000e-03  1.4300000000e-05 -1.7404000000e-03 -9.0230000000e-04 -1.8926000000e-03  2.4577000000e-03 -3.0393000000e-03  6.6940000000e-04 -3.1683000000e-03  4.3236000000e-03  1.1394000000e-03  2.7360000000e-04 -2.0436000000e-03 -2.1020000000e-03  2.6864000000e-03
-
-JOB 252
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1690100000e-01  3.3563200000e-01  7.3239100000e-01  4.9380000000e-03  7.0964700000e-01 -6.4234600000e-01  1.8228780000e+00  3.2937000000e-01  2.0021170000e+00  2.7211730000e+00  1.0357400000e-01  1.7606360000e+00  1.6109400000e+00 -2.6562500000e-01  2.7213500000e+00
-ENERGY -1.526605646175e+02
-FORCES  9.0933000000e-03  3.7419000000e-03  9.0882000000e-03 -8.1051000000e-03 -5.4790000000e-04 -6.4662000000e-03  1.4966000000e-03 -1.7813000000e-03  2.6254000000e-03 -2.8210000000e-04 -5.2181000000e-03 -3.9158000000e-03 -3.8221000000e-03  9.9060000000e-04  2.5496000000e-03  1.6194000000e-03  2.8149000000e-03 -3.8812000000e-03
-
-JOB 253
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8869000000e-02 -5.4277800000e-01  7.8623000000e-01 -9.3955900000e-01  1.1331300000e-01 -1.4359800000e-01  5.9006300000e-01  2.0353360000e+00  1.6723890000e+00  5.5004500000e-01  2.9536670000e+00  1.4053710000e+00  4.8941700000e-01  1.5437870000e+00  8.5723100000e-01
-ENERGY -1.526603344363e+02
-FORCES -3.0168000000e-03  1.7020000000e-04  7.2964000000e-03 -5.2770000000e-04  3.6755000000e-03 -4.6654000000e-03  5.1386000000e-03  6.4300000000e-04  1.1125000000e-03 -1.5280000000e-03 -8.3185000000e-03 -1.0414300000e-02 -9.3800000000e-04 -4.0044000000e-03 -1.2662000000e-03  8.7190000000e-04  7.8342000000e-03  7.9371000000e-03
-
-JOB 254
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8965700000e-01 -3.7134000000e-02  3.5123100000e-01  5.4039800000e-01  2.6822800000e-01  7.4313900000e-01  8.2528000000e-02 -2.8432890000e+00 -3.4303800000e-01 -8.1521600000e-01 -3.0586440000e+00 -9.0233000000e-02  7.3963000000e-02 -1.8951960000e+00 -4.7447900000e-01
-ENERGY -1.526592996699e+02
-FORCES  4.2590000000e-04 -9.5000000000e-06  6.1834000000e-03  4.6407000000e-03 -2.3113000000e-03 -2.3255000000e-03 -3.5850000000e-03 -5.6470000000e-04 -3.4507000000e-03 -1.7299000000e-03  1.0988200000e-02  7.0530000000e-04  2.5240000000e-03  1.8900000000e-03 -2.6080000000e-04 -2.2757000000e-03 -9.9928000000e-03 -8.5170000000e-04
-
-JOB 255
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8894400000e-01  1.3976200000e-01 -9.2790000000e-01 -4.4597900000e-01 -8.1921600000e-01  2.1498600000e-01  1.8111070000e+00  1.3276440000e+00  2.4889470000e+00  2.2758870000e+00  1.9993760000e+00  1.9899610000e+00  1.8868150000e+00  5.3674000000e-01  1.9551200000e+00
-ENERGY -1.526558888431e+02
-FORCES -4.3357000000e-03 -2.1459000000e-03 -3.1768000000e-03  8.3210000000e-04 -5.7100000000e-04  4.0485000000e-03  2.6155000000e-03  3.3756000000e-03 -9.7970000000e-04 -2.8980000000e-04 -1.1240000000e-03 -7.0870000000e-03 -1.0555000000e-03 -1.9696000000e-03  2.3771000000e-03  2.2334000000e-03  2.4348000000e-03  4.8178000000e-03
-
-JOB 256
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5042100000e-01  1.9948000000e-02  1.1195500000e-01  3.3867500000e-01 -2.3222900000e-01  8.6463900000e-01  3.0781500000e+00  8.1168400000e-01 -1.3818240000e+00  3.8391010000e+00  1.1623570000e+00 -1.8446570000e+00  3.0766580000e+00 -1.2148000000e-01 -1.5949780000e+00
-ENERGY -1.526533756270e+02
-FORCES -2.0694000000e-03  2.6290000000e-04  4.3881000000e-03  4.0136000000e-03 -2.5100000000e-05 -6.1160000000e-04 -1.7793000000e-03  1.7560000000e-04 -3.6248000000e-03  1.8035000000e-03 -2.9823000000e-03 -3.1337000000e-03 -3.3764000000e-03 -1.2398000000e-03  1.9930000000e-03  1.4081000000e-03  3.8088000000e-03  9.8900000000e-04
-
-JOB 257
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8406100000e-01 -4.5720000000e-03 -5.4905300000e-01 -1.2854300000e-01  9.2092900000e-01  2.2715400000e-01 -1.7451450000e+00 -9.9543100000e-01 -2.0962540000e+00 -1.3257210000e+00 -4.1028700000e-01 -1.4654430000e+00 -1.3253190000e+00 -7.8874600000e-01 -2.9312750000e+00
-ENERGY -1.526585457700e+02
-FORCES  5.1710000000e-03  1.4424000000e-03  1.1169000000e-03 -5.5424000000e-03  8.4560000000e-04  1.4338000000e-03 -3.8800000000e-04 -5.1522000000e-03 -3.1405000000e-03  6.2670000000e-03  4.1818000000e-03  6.0415000000e-03 -5.2860000000e-03 -1.0110000000e-03 -9.0055000000e-03 -2.2150000000e-04 -3.0660000000e-04  3.5538000000e-03
-
-JOB 258
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0472200000e-01  3.3940300000e-01  3.9174000000e-01  1.7656100000e-01 -9.2975800000e-01 -1.4355500000e-01  2.1369510000e+00 -3.1379500000e-01  1.6173550000e+00  3.0913070000e+00 -2.7811500000e-01  1.5528290000e+00  1.9684460000e+00 -8.7174900000e-01  2.3766480000e+00
-ENERGY -1.526580693033e+02
-FORCES  1.3111900000e-02 -4.4450000000e-03  8.0575000000e-03 -3.6961000000e-03  3.3999000000e-03 -4.1326000000e-03 -2.4840000000e-03  1.2471000000e-03 -5.0120000000e-04 -4.4248000000e-03 -1.4020000000e-03  3.0190000000e-04 -5.1416000000e-03 -6.6440000000e-04  1.1600000000e-04  2.6346000000e-03  1.8645000000e-03 -3.8417000000e-03
-
-JOB 259
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0546000000e-01  1.5969500000e-01 -2.6621700000e-01  1.0738200000e-01  5.0941600000e-01  8.0324100000e-01  3.5036600000e-01 -2.5176470000e+00 -5.7247100000e-01  5.4195600000e-01 -1.6019980000e+00 -3.6971000000e-01  1.0808840000e+00 -2.7994530000e+00 -1.1230730000e+00
-ENERGY -1.526594942099e+02
-FORCES -2.7605000000e-03 -9.2002000000e-03 -1.0330000000e-03  4.6013000000e-03  1.3264000000e-03  2.5831000000e-03 -1.6319000000e-03 -2.1487000000e-03 -4.0270000000e-03 -7.3960000000e-04  1.5106900000e-02  3.6713000000e-03  2.2265000000e-03 -8.4923000000e-03 -3.2384000000e-03 -1.6957000000e-03  3.4079000000e-03  2.0440000000e-03
-
-JOB 260
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4027000000e-02 -9.2979500000e-01  2.2613400000e-01  5.1398000000e-02  4.5307600000e-01  8.4161300000e-01  7.7169200000e-01 -1.2144050000e+00  2.9082730000e+00 -1.8219100000e-01 -1.2504730000e+00  2.9792430000e+00  1.0812100000e+00 -1.9243370000e+00  3.4707920000e+00
-ENERGY -1.526566122960e+02
-FORCES  3.8321000000e-03 -2.8053000000e-03  6.4455000000e-03 -2.6195000000e-03  3.0404000000e-03 -2.5705000000e-03 -2.8285000000e-03 -4.1850000000e-04 -3.8546000000e-03 -1.1483000000e-03 -3.5975000000e-03  4.7835000000e-03  4.6022000000e-03  8.1800000000e-04 -2.2039000000e-03 -1.8380000000e-03  2.9629000000e-03 -2.6001000000e-03
-
-JOB 261
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6690200000e-01 -6.8582200000e-01 -5.5791000000e-01 -7.3868500000e-01  2.9857700000e-01  5.3049800000e-01 -8.2635300000e-01 -1.9779180000e+00 -1.5736450000e+00 -5.7179200000e-01 -2.8994170000e+00 -1.6212940000e+00 -1.4208180000e+00 -1.8545880000e+00 -2.3136670000e+00
-ENERGY -1.526597399671e+02
-FORCES -5.8399000000e-03 -1.1784400000e-02 -7.8983000000e-03  1.1358000000e-03  7.0943000000e-03  4.3457000000e-03  1.1854000000e-03 -1.6049000000e-03 -2.4715000000e-03  3.5185000000e-03  4.1262000000e-03  3.9815000000e-03 -2.7986000000e-03  4.0582000000e-03 -1.7901000000e-03  2.7988000000e-03 -1.8894000000e-03  3.8326000000e-03
-
-JOB 262
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0435000000e-02  9.2239500000e-01 -2.5495600000e-01 -1.8388400000e-01 -4.7682800000e-01 -8.0935400000e-01 -4.2210100000e-01 -2.1571620000e+00 -1.9851530000e+00 -2.4561400000e-01 -2.8610590000e+00 -1.3609630000e+00  4.0090900000e-01 -2.0466520000e+00 -2.4612560000e+00
-ENERGY -1.526609081312e+02
-FORCES -3.1732000000e-03 -3.1645000000e-03 -6.7269000000e-03  2.0980000000e-04 -3.6992000000e-03 -3.7260000000e-04  4.2651000000e-03  7.8038000000e-03  6.4084000000e-03  3.4921000000e-03 -6.0705000000e-03  8.9210000000e-04 -5.0790000000e-04  3.7253000000e-03 -3.7594000000e-03 -4.2859000000e-03  1.4051000000e-03  3.5583000000e-03
-
-JOB 263
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0503500000e-01 -6.6670100000e-01  3.2507600000e-01 -3.0177200000e-01  8.1450900000e-01  4.0216900000e-01 -1.8257490000e+00 -5.9544800000e-01 -1.9637920000e+00 -2.5837530000e+00 -4.5508100000e-01 -1.3963780000e+00 -1.0757680000e+00 -3.2656800000e-01 -1.4332600000e+00
-ENERGY -1.526560765635e+02
-FORCES -4.7102000000e-03  1.7240000000e-04  1.8300000000e-03  3.7330000000e-04  5.4878000000e-03 -7.0280000000e-03  9.8700000000e-05 -5.1654000000e-03 -2.8832000000e-03  9.1649000000e-03  6.0285000000e-03  9.3037000000e-03  3.6554000000e-03 -8.3870000000e-04  6.1100000000e-05 -8.5822000000e-03 -5.6845000000e-03 -1.2836000000e-03
-
-JOB 264
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8829500000e-01  6.2855700000e-01  6.9691700000e-01  6.2420500000e-01 -6.1157200000e-01  3.9061600000e-01 -5.6049200000e-01  1.8959000000e+00  2.1035150000e+00 -1.4802530000e+00  1.8078410000e+00  2.3535510000e+00 -5.6497600000e-01  2.5394150000e+00  1.3949260000e+00
-ENERGY -1.526606427689e+02
-FORCES  4.3420000000e-04  4.2311000000e-03  1.0923000000e-02  6.0870000000e-04 -2.5196000000e-03 -1.0226100000e-02 -1.9835000000e-03  1.6744000000e-03 -1.2165000000e-03 -4.2687000000e-03  3.3603000000e-03  2.6530000000e-04  5.0178000000e-03  4.2370000000e-04 -2.0448000000e-03  1.9140000000e-04 -7.1699000000e-03  2.2992000000e-03
-
-JOB 265
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8526300000e-01  1.9940500000e-01  5.0973700000e-01 -7.1536500000e-01  4.3083000000e-02  6.3453000000e-01  9.6036300000e-01 -1.5584260000e+00 -2.3663150000e+00  7.7909000000e-02 -1.4078140000e+00 -2.0274600000e+00  1.5394310000e+00 -1.3181860000e+00 -1.6429920000e+00
-ENERGY -1.526570804414e+02
-FORCES  7.6580000000e-04  1.6649000000e-03  4.4569000000e-03 -3.1144000000e-03 -1.8678000000e-03 -2.8781000000e-03  3.2588000000e-03 -3.6070000000e-04 -3.2255000000e-03 -3.8492000000e-03  5.2401000000e-03  8.9168000000e-03  1.2832000000e-03 -3.3559000000e-03 -4.6854000000e-03  1.6556000000e-03 -1.3206000000e-03 -2.5847000000e-03
-
-JOB 266
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7914900000e-01  1.9466700000e-01  5.2082900000e-01 -4.8440000000e-03 -9.5406800000e-01 -7.7215000000e-02  1.9872010000e+00  1.5816300000e-01  1.8064590000e+00  2.8761580000e+00 -7.9435000000e-02  1.5427630000e+00  2.1013050000e+00  9.1724500000e-01  2.3783030000e+00
-ENERGY -1.526595693687e+02
-FORCES  1.1779800000e-02 -1.7145000000e-03  1.1855300000e-02 -5.3537000000e-03  5.8110000000e-04 -7.0728000000e-03  5.2900000000e-04  2.3062000000e-03 -2.7510000000e-04 -2.3516000000e-03  1.4858000000e-03 -2.2905000000e-03 -5.1337000000e-03  1.5072000000e-03  1.2672000000e-03  5.3030000000e-04 -4.1659000000e-03 -3.4841000000e-03
-
-JOB 267
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2221400000e-01 -9.4906000000e-01 -2.4104000000e-02  7.4306600000e-01  3.2481800000e-01  5.0850600000e-01 -1.0583800000e+00  1.9795990000e+00 -1.5224920000e+00 -7.7957100000e-01  2.8718720000e+00 -1.3167090000e+00 -6.9880400000e-01  1.4463020000e+00 -8.1359700000e-01
-ENERGY -1.526579383536e+02
-FORCES -9.0980000000e-04 -4.3720000000e-04 -4.6590000000e-03  1.3408000000e-03  4.2696000000e-03  1.8675000000e-03 -4.4361000000e-03 -3.1910000000e-04 -3.2327000000e-03  4.2717000000e-03 -8.6811000000e-03  6.6939000000e-03  5.8230000000e-04 -4.0401000000e-03  9.2410000000e-04 -8.4890000000e-04  9.2078000000e-03 -1.5937000000e-03
-
-JOB 268
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5005500000e-01  9.1796000000e-02 -7.2119000000e-02  3.4561900000e-01  8.4220000000e-01 -2.9576800000e-01 -1.3919290000e+00 -3.4563730000e+00  8.3117200000e-01 -4.3505800000e-01 -3.4328430000e+00  8.2247900000e-01 -1.6363880000e+00 -3.6147320000e+00 -8.0636000000e-02
-ENERGY -1.526556281850e+02
-FORCES -3.1625000000e-03  4.0325000000e-03 -7.6280000000e-04  4.3194000000e-03  3.6530000000e-04 -5.9910000000e-04 -1.4704000000e-03 -3.5469000000e-03  1.1683000000e-03  4.2415000000e-03  5.5000000000e-05 -3.6622000000e-03 -4.3221000000e-03 -1.6010000000e-03  2.5100000000e-04  3.9410000000e-04  6.9500000000e-04  3.6048000000e-03
-
-JOB 269
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3677900000e-01 -2.4340600000e-01 -5.6048400000e-01 -1.6940700000e-01  9.1191600000e-01  2.3652000000e-01 -8.5893100000e-01 -2.1505670000e+00  1.4862630000e+00 -1.7687250000e+00 -1.8541450000e+00  1.5115870000e+00 -3.9921300000e-01 -1.4722670000e+00  9.9149000000e-01
-ENERGY -1.526577353462e+02
-FORCES -3.6916000000e-03  9.4310000000e-04  2.1482000000e-03  3.1213000000e-03 -6.4000000000e-04  6.6772000000e-03 -3.1120000000e-04 -4.6706000000e-03 -2.3253000000e-03  3.7817000000e-03  1.2922300000e-02 -5.0536000000e-03  2.4745000000e-03 -4.1730000000e-04 -1.3267000000e-03 -5.3747000000e-03 -8.1375000000e-03 -1.1990000000e-04
-
-JOB 270
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8586600000e-01 -1.4477500000e-01 -6.5181300000e-01 -1.3370300000e-01 -6.9267100000e-01  6.4696400000e-01 -1.8429900000e-01 -1.8183050000e+00  2.1883190000e+00 -1.0588280000e+00 -1.5125690000e+00  2.4290590000e+00 -3.3747800000e-01 -2.6386440000e+00  1.7194780000e+00
-ENERGY -1.526586142660e+02
-FORCES -6.2330000000e-04 -7.4655000000e-03  7.4816000000e-03  1.7511000000e-03 -9.9880000000e-04  3.6474000000e-03 -3.5005000000e-03  5.4690000000e-03 -9.5214000000e-03 -2.9813000000e-03 -2.7186000000e-03  2.5257000000e-03  5.1397000000e-03 -1.0064000000e-03 -4.4667000000e-03  2.1420000000e-04  6.7203000000e-03  3.3350000000e-04
-
-JOB 271
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8832800000e-01  2.8759900000e-01 -7.7139800000e-01 -2.5805000000e-01  6.1196300000e-01  6.8930600000e-01 -3.4891700000e-01  1.5288820000e+00  2.1925930000e+00 -1.1874600000e-01  2.3571160000e+00  1.7715450000e+00 -1.3002230000e+00  1.5663430000e+00  2.2918200000e+00
-ENERGY -1.526570960507e+02
-FORCES -2.2751000000e-03  8.1159000000e-03  1.2723800000e-02  8.1760000000e-04  1.2132000000e-03  4.5357000000e-03 -1.3948000000e-03 -2.0872000000e-03 -1.1341500000e-02 -4.8710000000e-04  9.3130000000e-04 -1.3851000000e-03 -2.5715000000e-03 -7.1214000000e-03 -6.4060000000e-04  5.9108000000e-03 -1.0518000000e-03 -3.8924000000e-03
-
-JOB 272
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1531000000e-02 -5.4054000000e-01 -7.8887500000e-01 -6.0114900000e-01 -4.2332200000e-01  6.1290300000e-01 -6.7023000000e-01  2.7976960000e+00  1.7848500000e-01  3.6506000000e-02  3.1328350000e+00  7.3024400000e-01 -4.6738300000e-01  1.8689710000e+00  6.6437000000e-02
-ENERGY -1.526619960560e+02
-FORCES -2.0991000000e-03 -3.4410000000e-03 -1.4504000000e-03 -2.4610000000e-04  1.8135000000e-03  4.5568000000e-03  2.9338000000e-03  2.7038000000e-03 -3.6725000000e-03  5.5555000000e-03 -9.5193000000e-03 -1.4130000000e-04 -2.2112000000e-03 -1.1449000000e-03 -1.3376000000e-03 -3.9329000000e-03  9.5878000000e-03  2.0451000000e-03
-
-JOB 273
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1066200000e-01  5.6212000000e-02  2.8942500000e-01 -5.1123500000e-01  3.2367000000e-02  8.0859300000e-01  1.5748240000e+00  8.8025200000e-01  2.5136260000e+00  1.5679100000e+00  1.8740000000e-03  2.8939360000e+00  2.3746020000e+00  1.2822820000e+00  2.8526850000e+00
-ENERGY -1.526576584297e+02
-FORCES  3.5791000000e-03  4.2297000000e-03  7.6846000000e-03 -3.0893000000e-03 -3.5826000000e-03 -4.2176000000e-03  1.3420000000e-04 -2.2088000000e-03 -3.2210000000e-03  3.5760000000e-03 -4.8000000000e-05  4.7265000000e-03 -6.4060000000e-04  3.9675000000e-03 -3.4139000000e-03 -3.5593000000e-03 -2.3578000000e-03 -1.5586000000e-03
-
-JOB 274
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2072600000e-01 -1.6712700000e-01  4.6336800000e-01  1.5667800000e-01 -7.9737700000e-01 -5.0584000000e-01 -2.7704400000e-01  2.5813610000e+00 -4.2418100000e-01 -1.6868000000e-01  1.6360950000e+00 -5.2887100000e-01 -8.7707000000e-02  2.9420180000e+00 -1.2903850000e+00
-ENERGY -1.526591587311e+02
-FORCES -2.6711000000e-03  4.8224000000e-03 -3.2090000000e-04  4.6522000000e-03  6.2200000000e-04 -3.9587000000e-03 -1.6084000000e-03  4.0406000000e-03  2.7654000000e-03  3.4171000000e-03 -1.5389800000e-02  6.1120000000e-04 -3.7884000000e-03  9.2002000000e-03 -1.1246000000e-03 -1.4000000000e-06 -3.2953000000e-03  2.0276000000e-03
-
-JOB 275
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6950000000e-02 -6.7718900000e-01 -6.7486400000e-01  7.0073500000e-01 -2.2289200000e-01  6.1279800000e-01  9.8010200000e-01  1.5111470000e+00 -3.4553090000e+00  1.3802570000e+00  2.2511430000e+00 -3.9119410000e+00  1.6354380000e+00  1.2440750000e+00 -2.8107630000e+00
-ENERGY -1.526541924555e+02
-FORCES  1.4964000000e-03 -4.1217000000e-03 -2.3520000000e-04  6.9120000000e-04  2.8342000000e-03  3.3481000000e-03 -2.5169000000e-03  1.3141000000e-03 -2.9916000000e-03  3.8487000000e-03  2.7474000000e-03  1.7143000000e-03 -1.5365000000e-03 -3.0292000000e-03  1.8135000000e-03 -1.9829000000e-03  2.5520000000e-04 -3.6492000000e-03
-
-JOB 276
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6414600000e-01 -8.4085000000e-02  7.6870100000e-01  1.8295200000e-01  8.7696800000e-01 -3.3717600000e-01 -2.2237080000e+00  1.0194700000e-01  1.6480980000e+00 -1.5343550000e+00  1.0425000000e-02  9.9033800000e-01 -1.8919600000e+00  7.6579200000e-01  2.2526510000e+00
-ENERGY -1.526589116511e+02
-FORCES  1.3929000000e-03  2.9946000000e-03  2.1751000000e-03 -5.7114000000e-03  1.8989000000e-03 -3.0737000000e-03 -1.1710000000e-03 -4.5064000000e-03  3.3137000000e-03  1.1454700000e-02  1.1001000000e-03 -8.8051000000e-03 -6.3132000000e-03  5.7870000000e-04  8.5365000000e-03  3.4790000000e-04 -2.0659000000e-03 -2.1466000000e-03
-
-JOB 277
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4378700000e-01  8.7697300000e-01 -1.7017800000e-01 -3.3597200000e-01 -5.3342100000e-01 -7.2028900000e-01 -8.1400600000e-01 -1.4926760000e+00 -2.1493350000e+00 -1.6914690000e+00 -1.2211370000e+00 -2.4186990000e+00 -4.0343300000e-01 -1.8098620000e+00 -2.9537320000e+00
-ENERGY -1.526596207375e+02
-FORCES -3.3663000000e-03 -5.7633000000e-03 -1.1584900000e-02  1.1360000000e-04 -2.9827000000e-03 -3.5180000000e-04 -6.6800000000e-04  5.6426000000e-03  7.6592000000e-03  2.7174000000e-03  1.9669000000e-03  2.6200000000e-05  5.2736000000e-03 -1.9910000000e-04  1.4947000000e-03 -4.0704000000e-03  1.3356000000e-03  2.7567000000e-03
-
-JOB 278
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7176000000e-01  2.0383000000e-02 -7.6740300000e-01  8.8028800000e-01  1.2902300000e-01 -3.5309800000e-01  2.7164100000e+00  4.6585700000e-01 -2.3587400000e-01  2.9042110000e+00  1.2966990000e+00  2.0077700000e-01  3.3336670000e+00  4.3397200000e-01 -9.6677000000e-01
-ENERGY -1.526607497447e+02
-FORCES  1.0463200000e-02  1.2389000000e-03 -2.9628000000e-03  3.3778000000e-03  1.7690000000e-04  1.5968000000e-03 -1.0807200000e-02 -8.3900000000e-04 -3.1500000000e-05  3.5420000000e-04  2.7039000000e-03  1.1864000000e-03 -9.1000000000e-06 -4.1735000000e-03 -3.3052000000e-03 -3.3789000000e-03  8.9270000000e-04  3.5163000000e-03
-
-JOB 279
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5317400000e-01 -1.5985000000e-01 -4.0345300000e-01 -6.3397400000e-01 -2.5280300000e-01 -6.7111800000e-01  3.7354000000e-02  2.4011800000e+00  1.7066110000e+00 -8.4819000000e-02  3.2882530000e+00  1.3683690000e+00  5.6098000000e-02  1.8472350000e+00  9.2621000000e-01
-ENERGY -1.526601506373e+02
-FORCES  1.2200000000e-05 -4.3487000000e-03 -3.5020000000e-03 -4.6630000000e-03  1.9156000000e-03  1.6406000000e-03  3.6666000000e-03  1.2752000000e-03  2.8027000000e-03 -1.0373000000e-03 -4.5656000000e-03 -5.9634000000e-03  2.9950000000e-04 -3.6728000000e-03  1.8710000000e-04  1.7220000000e-03  9.3963000000e-03  4.8350000000e-03
-
-JOB 280
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0142000000e-02  3.8584000000e-01  8.7593200000e-01  3.8361500000e-01 -8.6923500000e-01  1.1619600000e-01 -2.7373890000e+00  1.1345310000e+00  1.3772760000e+00 -2.7763940000e+00  1.8432050000e+00  7.3502100000e-01 -2.3554990000e+00  1.5378880000e+00  2.1568240000e+00
-ENERGY -1.526534582264e+02
-FORCES -1.4567000000e-03 -2.1845000000e-03  5.1586000000e-03  2.6117000000e-03 -5.4500000000e-04 -3.1397000000e-03 -1.4180000000e-03  3.4711000000e-03 -3.9950000000e-04  3.1550000000e-04  4.3132000000e-03 -1.6850000000e-03 -2.0210000000e-04 -2.4486000000e-03  3.6692000000e-03  1.4950000000e-04 -2.6062000000e-03 -3.6036000000e-03
-
-JOB 281
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0034200000e-01  6.0838300000e-01 -2.3584800000e-01  3.5296000000e-02 -6.1949900000e-01 -7.2884000000e-01 -1.4058700000e-01  3.9597620000e+00  6.6474700000e-01 -6.6469700000e-01  3.4516110000e+00  1.2838790000e+00  7.0408500000e-01  3.5101670000e+00  6.3975000000e-01
-ENERGY -1.526559314515e+02
-FORCES -2.9049000000e-03 -7.4810000000e-04 -4.7898000000e-03  3.1040000000e-03 -2.7370000000e-03  1.9045000000e-03 -2.1120000000e-04  2.5343000000e-03  3.0110000000e-03  2.4937000000e-03 -3.6130000000e-03  3.3509000000e-03  1.4058000000e-03  1.9185000000e-03 -3.3199000000e-03 -3.8873000000e-03  2.6453000000e-03 -1.5670000000e-04
-
-JOB 282
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2194800000e-01 -8.2925700000e-01  2.2477600000e-01 -4.1705300000e-01 -1.6443500000e-01 -8.4573000000e-01  1.3001200000e-01  2.2197060000e+00  1.9536810000e+00  5.5221100000e-01  1.9030600000e+00  2.7522510000e+00  1.5134000000e-02  1.4361290000e+00  1.4160560000e+00
-ENERGY -1.526606305188e+02
-FORCES -5.6930000000e-04 -2.2437000000e-03 -3.5839000000e-03 -2.1812000000e-03  3.8991000000e-03 -9.3290000000e-04  2.6075000000e-03 -9.2660000000e-04  3.6017000000e-03  3.5800000000e-04 -7.2703000000e-03 -3.9789000000e-03 -1.1727000000e-03  2.4690000000e-04 -2.8463000000e-03  9.5760000000e-04  6.2947000000e-03  7.7403000000e-03
-
-JOB 283
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7157800000e-01  5.4299300000e-01 -6.3166800000e-01 -5.6960700000e-01 -2.3254000000e-02  7.6892100000e-01 -1.6114840000e+00  8.6295300000e-01 -2.1568990000e+00 -2.4626070000e+00  1.0739500000e+00 -1.7731010000e+00 -1.5014160000e+00  1.5008450000e+00 -2.8620310000e+00
-ENERGY -1.526591254766e+02
-FORCES -6.9995000000e-03  3.4355000000e-03 -7.3882000000e-03  4.0495000000e-03 -1.5934000000e-03  9.2461000000e-03  7.2970000000e-04  5.1710000000e-04 -3.1669000000e-03 -1.9884000000e-03  1.4110000000e-03 -1.8479000000e-03  5.5399000000e-03 -5.9620000000e-04 -6.2090000000e-04 -1.3311000000e-03 -3.1740000000e-03  3.7778000000e-03
-
-JOB 284
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3333200000e-01 -9.5340000000e-02  8.4815400000e-01  9.0819100000e-01 -2.5359100000e-01  1.6465800000e-01 -1.7627320000e+00  1.3016500000e-01  2.1253740000e+00 -2.3396700000e+00  3.1095400000e-01  1.3832890000e+00 -2.2428250000e+00 -5.0839900000e-01  2.6526110000e+00
-ENERGY -1.526607818524e+02
-FORCES -3.1498000000e-03 -5.8470000000e-04  1.0737600000e-02  2.4592000000e-03  9.8380000000e-04 -1.0080300000e-02 -3.0807000000e-03  3.0890000000e-04  6.4940000000e-04 -3.2231000000e-03 -1.4665000000e-03 -2.2707000000e-03  5.4030000000e-03 -2.6799000000e-03  3.8696000000e-03  1.5914000000e-03  3.4383000000e-03 -2.9055000000e-03
-
-JOB 285
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4583600000e-01 -3.1638800000e-01  8.3458200000e-01  6.9689000000e-01 -1.7811200000e-01 -6.3154700000e-01 -1.4295630000e+00 -1.4026840000e+00 -2.6634860000e+00 -1.6192240000e+00 -2.1030180000e+00 -2.0391520000e+00 -5.5375700000e-01 -1.6051200000e+00 -2.9924480000e+00
-ENERGY -1.526523949345e+02
-FORCES  4.0079000000e-03 -9.7130000000e-04 -5.9290000000e-04 -2.0802000000e-03  7.1790000000e-04 -3.8718000000e-03 -1.9785000000e-03  1.2270000000e-04  2.9069000000e-03  2.1174000000e-03 -2.9585000000e-03  3.5633000000e-03  6.3420000000e-04  1.6995000000e-03 -3.7165000000e-03 -2.7007000000e-03  1.3897000000e-03  1.7110000000e-03
-
-JOB 286
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8851300000e-01 -1.8717400000e-01  3.0288900000e-01 -5.6378800000e-01 -2.8582500000e-01  7.1880400000e-01 -8.2114500000e-01 -2.0381310000e+00 -1.6143400000e+00 -4.4172100000e-01 -1.4585930000e+00 -9.5373000000e-01 -7.9010000000e-01 -2.9082250000e+00 -1.2165890000e+00
-ENERGY -1.526575642797e+02
-FORCES -4.1600000000e-05 -4.3830000000e-04  1.8421000000e-03 -6.0356000000e-03 -1.3503000000e-03 -2.3181000000e-03  3.8917000000e-03 -2.0398000000e-03 -6.3740000000e-03  5.1723000000e-03  1.0223400000e-02  7.6962000000e-03 -3.6885000000e-03 -1.0889100000e-02 -1.7185000000e-03  7.0170000000e-04  4.4941000000e-03  8.7230000000e-04
-
-JOB 287
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6420000000e-02 -9.0835400000e-01 -2.9447100000e-01  3.3307200000e-01  5.1539600000e-01 -7.3461700000e-01  5.0021500000e-01  1.2250380000e+00 -2.4337950000e+00 -8.6270000000e-02  1.1573950000e+00 -3.1872480000e+00  1.3504790000e+00  1.4508280000e+00 -2.8110250000e+00
-ENERGY -1.526602354795e+02
-FORCES  2.5807000000e-03  3.2262000000e-03 -1.2575200000e-02 -4.2490000000e-04  2.1924000000e-03  8.6530000000e-04  4.3900000000e-04 -2.7794000000e-03  8.1683000000e-03 -2.4379000000e-03 -1.6452000000e-03 -6.4100000000e-05  4.4118000000e-03  6.6260000000e-04  2.1552000000e-03 -4.5688000000e-03 -1.6565000000e-03  1.4506000000e-03
-
-JOB 288
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4154700000e-01  6.2045900000e-01  6.4390100000e-01 -4.0600000000e-02 -8.4914100000e-01  4.3993500000e-01 -1.1409880000e+00  6.5699200000e-01  2.4749380000e+00 -9.1952400000e-01  3.5255200000e-01  3.3549960000e+00 -1.0434810000e+00  1.6082180000e+00  2.5184360000e+00
-ENERGY -1.526565268954e+02
-FORCES -6.0428000000e-03 -1.2173000000e-03  1.3655900000e-02  1.7988000000e-03  5.1855000000e-03 -5.0588000000e-03  1.6993000000e-03  2.4370000000e-04 -3.0897000000e-03  2.9571000000e-03 -1.1060000000e-04  1.6151000000e-03 -1.4937000000e-03  1.6411000000e-03 -4.0821000000e-03  1.0812000000e-03 -5.7425000000e-03 -3.0405000000e-03
-
-JOB 289
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7586500000e-01  3.1248300000e-01 -2.2681900000e-01 -1.1272100000e-01 -7.9613700000e-01 -5.1931800000e-01 -2.0717500000e+00  1.1035600000e+00  1.5932980000e+00 -1.2555110000e+00  1.0664340000e+00  1.0946930000e+00 -2.1254020000e+00  2.5321900000e-01  2.0295010000e+00
-ENERGY -1.526597195900e+02
-FORCES -1.1671000000e-03 -2.0998000000e-03 -2.0362000000e-03 -4.5806000000e-03 -1.5216000000e-03  9.7340000000e-04  2.2255000000e-03  3.3370000000e-03  2.3476000000e-03  8.7212000000e-03 -7.2339000000e-03 -5.0879000000e-03 -3.9317000000e-03  5.2983000000e-03  4.4365000000e-03 -1.2673000000e-03  2.2200000000e-03 -6.3340000000e-04
-
-JOB 290
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1625700000e-01  6.8639000000e-02  2.6831800000e-01 -4.6499500000e-01 -2.5480600000e-01  7.9692300000e-01  2.8787450000e+00  1.0268600000e-01  2.5283300000e-01  3.5328430000e+00 -9.1255000000e-02  9.2423100000e-01  2.9935610000e+00 -5.8738500000e-01 -4.0050500000e-01
-ENERGY -1.526613053659e+02
-FORCES  8.1586000000e-03  1.0481000000e-03  4.5239000000e-03 -9.9328000000e-03 -2.5059000000e-03 -2.8646000000e-03  2.1677000000e-03  7.0570000000e-04 -2.1542000000e-03  3.5781000000e-03 -2.9535000000e-03 -3.5230000000e-04 -2.7607000000e-03  2.4160000000e-04 -3.7069000000e-03 -1.2109000000e-03  3.4640000000e-03  4.5541000000e-03
-
-JOB 291
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0150000000e-02 -9.5347800000e-01  7.8753000000e-02 -8.4056800000e-01  2.3504600000e-01 -3.9297700000e-01 -2.3365200000e+00  7.3152000000e-01 -1.4204870000e+00 -3.2895660000e+00  6.4321100000e-01 -1.4087590000e+00 -2.1821570000e+00  1.6268680000e+00 -1.7217440000e+00
-ENERGY -1.526612845825e+02
-FORCES -9.9903000000e-03 -8.3560000000e-04 -5.3225000000e-03 -2.4430000000e-04  2.5986000000e-03 -1.7600000000e-05  8.7509000000e-03 -1.7000000000e-04  3.9473000000e-03 -1.3406000000e-03  1.7313000000e-03  4.8200000000e-04  4.2469000000e-03  1.3970000000e-03 -1.2136000000e-03 -1.4227000000e-03 -4.7212000000e-03  2.1243000000e-03
-
-JOB 292
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3243500000e-01  6.8193600000e-01  6.3021300000e-01 -6.2200700000e-01 -7.0711800000e-01  1.7123900000e-01  1.2192680000e+00 -1.7290000000e-02 -2.3083170000e+00  8.3547100000e-01 -1.6026700000e-01 -1.4431640000e+00  9.2474900000e-01 -7.6517200000e-01 -2.8280880000e+00
-ENERGY -1.526570303499e+02
-FORCES  3.9127000000e-03  3.1755000000e-03 -8.8989000000e-03 -7.7550000000e-04 -4.9964000000e-03 -1.6507000000e-03  3.2409000000e-03  3.8330000000e-03 -1.4475000000e-03 -8.4294000000e-03  3.2280000000e-04  1.5007800000e-02  2.6421000000e-03 -3.8690000000e-03 -6.4998000000e-03 -5.9090000000e-04  1.5340000000e-03  3.4890000000e-03
-
-JOB 293
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3468700000e-01  8.3740000000e-02  7.8951200000e-01 -5.0212200000e-01 -5.8324000000e-01 -5.6915400000e-01  1.5920430000e+00 -2.5572900000e+00 -5.0746200000e-01  1.9911620000e+00 -2.5453220000e+00 -1.3774000000e+00  1.1800430000e+00 -1.6976730000e+00 -4.2059700000e-01
-ENERGY -1.526586724713e+02
-FORCES -6.3614000000e-03  1.9360000000e-04  3.3816000000e-03  1.8392000000e-03  1.1900000000e-05 -4.3482000000e-03  6.9652000000e-03  7.5830000000e-04  3.0490000000e-03  5.6770000000e-04  7.0657000000e-03 -8.3000000000e-05 -2.3447000000e-03  4.3650000000e-04  2.9664000000e-03 -6.6610000000e-04 -8.4660000000e-03 -4.9660000000e-03
-
-JOB 294
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4292000000e-02  9.4054400000e-01 -1.5653700000e-01 -3.8310200000e-01 -6.4303000000e-02  8.7483100000e-01  1.4395710000e+00 -2.4830980000e+00  7.0514200000e-01  2.3622600000e+00 -2.7357710000e+00  7.3727800000e-01  1.2487170000e+00 -2.3895990000e+00 -2.2816600000e-01
-ENERGY -1.526556780207e+02
-FORCES -6.4000000000e-06  1.2586000000e-03  5.5933000000e-03  2.5480000000e-04 -3.9618000000e-03  8.0820000000e-04 -5.3900000000e-05  2.1318000000e-03 -4.2837000000e-03  1.1917000000e-03  3.1406000000e-03 -5.4963000000e-03 -3.4069000000e-03  1.4492000000e-03 -2.1090000000e-04  2.0206000000e-03 -4.0185000000e-03  3.5894000000e-03
-
-JOB 295
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9685300000e-01  9.5953000000e-02  3.2043500000e-01 -5.3169300000e-01 -7.1686000000e-02  7.9271400000e-01  1.8199210000e+00 -6.7880700000e-01  2.7633900000e+00  1.6636530000e+00  2.4121900000e-01  2.9763760000e+00  1.0956540000e+00 -1.1475140000e+00  3.1780990000e+00
-ENERGY -1.526559322116e+02
-FORCES  3.6879000000e-03 -1.9145000000e-03  6.0077000000e-03 -4.4606000000e-03  2.3284000000e-03 -3.3236000000e-03  7.4590000000e-04  7.9600000000e-04 -2.5722000000e-03 -2.4952000000e-03  2.0860000000e-04  5.1568000000e-03 -1.8760000000e-04 -4.2811000000e-03 -2.9552000000e-03  2.7096000000e-03  2.8626000000e-03 -2.3135000000e-03
-
-JOB 296
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5812000000e-01  8.8442500000e-01 -2.5961300000e-01 -2.6866800000e-01 -4.2102000000e-01 -8.1657300000e-01  4.0239300000e+00  4.1595200000e-01  4.7028100000e-01  3.8700900000e+00  1.1555460000e+00 -1.1756700000e-01  3.4244490000e+00  5.6226500000e-01  1.2020220000e+00
-ENERGY -1.526539447617e+02
-FORCES -1.7460000000e-04  9.2920000000e-04 -5.1086000000e-03 -4.4440000000e-04 -3.2590000000e-03  1.5701000000e-03  7.6510000000e-04  2.0464000000e-03  3.3749000000e-03 -3.8093000000e-03  2.6914000000e-03  1.0476000000e-03  3.5930000000e-04 -2.7373000000e-03  2.1103000000e-03  3.3038000000e-03  3.2930000000e-04 -2.9943000000e-03
-
-JOB 297
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9316600000e-01  8.0299500000e-01  3.4183500000e-01 -6.4131000000e-01 -3.3279800000e-01 -6.2785200000e-01 -1.9495370000e+00 -4.5331100000e-01 -1.8829010000e+00 -1.5198210000e+00 -2.8346300000e-01 -2.7211890000e+00 -1.9689710000e+00 -1.4076990000e+00 -1.8122040000e+00
-ENERGY -1.526590707075e+02
-FORCES -1.3565600000e-02  1.1702000000e-03 -9.4785000000e-03  1.7666000000e-03 -1.7816000000e-03 -5.4360000000e-04  7.3605000000e-03 -4.1395000000e-03  5.0237000000e-03  2.8520000000e-03 -3.1460000000e-04 -2.0438000000e-03 -1.9127000000e-03 -1.5611000000e-03  5.2625000000e-03  3.4991000000e-03  6.6266000000e-03  1.7797000000e-03
-
-JOB 298
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3760000000e-03 -6.2570100000e-01  7.2436300000e-01 -5.5268600000e-01 -4.0875000000e-01 -6.6610300000e-01 -4.4529100000e-01  2.2602900000e+00  1.2529950000e+00 -1.1951400000e-01  3.0718450000e+00  8.6378900000e-01 -2.9602800000e-01  1.5950850000e+00  5.8109200000e-01
-ENERGY -1.526598784791e+02
-FORCES -3.1551000000e-03  4.2682000000e-03  6.9457000000e-03 -6.4030000000e-04  1.9404000000e-03 -5.2383000000e-03  2.5793000000e-03  1.9293000000e-03  3.9495000000e-03  3.4302000000e-03 -1.3227100000e-02 -8.9711000000e-03 -6.3630000000e-04 -3.9532000000e-03 -8.6910000000e-04 -1.5777000000e-03  9.0424000000e-03  4.1833000000e-03
-
-JOB 299
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3054000000e-02 -9.5419400000e-01 -7.2206000000e-02 -4.0700100000e-01  2.9261600000e-01 -8.1545000000e-01  2.9708010000e+00  2.9845000000e-01 -8.4704000000e-01  3.1705120000e+00 -6.3041200000e-01 -9.6349900000e-01  2.1843080000e+00  3.0826500000e-01 -3.0154500000e-01
-ENERGY -1.526594150035e+02
-FORCES -4.6316000000e-03 -2.2785000000e-03 -4.8956000000e-03  1.8099000000e-03  4.7632000000e-03  1.1100000000e-04  1.7284000000e-03 -1.9676000000e-03  4.2315000000e-03 -6.4701000000e-03 -2.7886000000e-03  3.5619000000e-03 -1.2864000000e-03  2.8384000000e-03  2.2290000000e-04  8.8498000000e-03 -5.6700000000e-04 -3.2317000000e-03
-
-JOB 300
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8632400000e-01 -3.9075200000e-01 -5.4083600000e-01  1.8892100000e-01  9.3827500000e-01 -1.3417000000e-02  3.0118800000e-01  2.8677490000e+00 -1.0323770000e+00 -4.8635000000e-01  2.7452440000e+00 -1.5624790000e+00 -6.8530000000e-03  3.3168120000e+00 -2.4517600000e-01
-ENERGY -1.526597713312e+02
-FORCES  5.3233000000e-03  6.6444000000e-03 -4.4952000000e-03 -2.6541000000e-03  4.2050000000e-04  1.7872000000e-03 -3.2664000000e-03 -6.5830000000e-03  4.7137000000e-03 -5.2115000000e-03  3.7626000000e-03 -2.1271000000e-03  4.1884000000e-03  6.4300000000e-04  3.2475000000e-03  1.6203000000e-03 -4.8875000000e-03 -3.1260000000e-03
-
-JOB 301
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4517700000e-01  5.3889500000e-01 -7.1181200000e-01 -4.0494200000e-01 -8.5751100000e-01 -1.3011200000e-01 -1.3665930000e+00  1.1903190000e+00 -1.8901460000e+00 -2.1850390000e+00  1.2662460000e+00 -1.3996230000e+00 -1.5919450000e+00  6.5610900000e-01 -2.6517690000e+00
-ENERGY -1.526571730934e+02
-FORCES -1.0515700000e-02  7.2106000000e-03 -1.6913000000e-02  2.5732000000e-03 -2.4007000000e-03  7.8919000000e-03  1.9590000000e-04  2.2086000000e-03 -1.7000000000e-06  2.4750000000e-03 -6.9669000000e-03  6.6201000000e-03  5.2081000000e-03 -2.1284000000e-03 -2.7044000000e-03  6.3500000000e-05  2.0769000000e-03  5.1071000000e-03
-
-JOB 302
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3274900000e-01  1.8746300000e-01 -1.0520600000e-01  3.8340700000e-01  2.0352900000e-01 -8.5311600000e-01  1.0617620000e+00 -3.0971850000e+00 -1.3970770000e+00  9.4769100000e-01 -2.6030180000e+00 -2.2088760000e+00  1.1487320000e+00 -4.0073550000e+00 -1.6803740000e+00
-ENERGY -1.526519738408e+02
-FORCES -1.8990000000e-03  3.3210000000e-04 -3.6581000000e-03  3.8262000000e-03 -6.1080000000e-04  3.5400000000e-04 -1.7254000000e-03 -5.8800000000e-04  2.7956000000e-03 -2.3080000000e-04 -1.7709000000e-03 -4.1629000000e-03  5.6330000000e-04 -1.3000000000e-03  3.1949000000e-03 -5.3430000000e-04  3.9375000000e-03  1.4765000000e-03
-
-JOB 303
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8824600000e-01 -2.4801600000e-01  8.7842700000e-01  5.0755500000e-01  8.0088400000e-01  1.3116300000e-01  1.2650960000e+00 -2.3194810000e+00 -6.9440800000e-01  7.4531900000e-01 -1.5321080000e+00 -5.3282900000e-01  6.6101300000e-01 -2.9205530000e+00 -1.1303290000e+00
-ENERGY -1.526609527986e+02
-FORCES  4.5259000000e-03 -6.9960000000e-04  1.9926000000e-03  2.3205000000e-03  4.7420000000e-04 -5.3678000000e-03 -3.3778000000e-03 -3.7621000000e-03  6.5980000000e-04 -7.1829000000e-03  1.1778400000e-02  9.3770000000e-04  3.0783000000e-03 -1.0643800000e-02 -2.1870000000e-04  6.3600000000e-04  2.8530000000e-03  1.9964000000e-03
-
-JOB 304
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6309200000e-01  7.4875700000e-01 -1.9626900000e-01  8.1033200000e-01  1.7740500000e-01 -4.7762100000e-01 -1.3137800000e-01 -2.5758620000e+00  2.0911100000e+00  1.4974700000e-01 -3.4301770000e+00  2.4187480000e+00 -4.4223500000e-01 -2.7499810000e+00  1.2026950000e+00
-ENERGY -1.526543110913e+02
-FORCES  1.7238000000e-03  4.7809000000e-03 -1.6784000000e-03  2.3738000000e-03 -3.2974000000e-03  6.8740000000e-04 -3.6132000000e-03 -8.7850000000e-04  1.5976000000e-03 -6.5510000000e-04 -2.4580000000e-03 -3.8594000000e-03 -7.8300000000e-04  3.7808000000e-03 -1.4077000000e-03  9.5380000000e-04 -1.9277000000e-03  4.6606000000e-03
-
-JOB 305
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1280000000e-03 -6.6921200000e-01  6.8438700000e-01  5.8154700000e-01 -3.4866300000e-01 -6.7562500000e-01 -2.0805290000e+00 -5.1909200000e-01 -1.6392350000e+00 -1.5602960000e+00 -2.7001700000e-01 -8.7532900000e-01 -2.9877060000e+00 -4.7199800000e-01 -1.3375000000e+00
-ENERGY -1.526602090530e+02
-FORCES  1.0629000000e-03 -4.6679000000e-03 -4.6191000000e-03 -1.9253000000e-03  3.1848000000e-03 -4.5290000000e-03 -3.7724000000e-03  1.4800000000e-03  4.4914000000e-03  9.0007000000e-03  4.6854000000e-03  9.5168000000e-03 -8.4047000000e-03 -4.7656000000e-03 -6.2388000000e-03  4.0388000000e-03  8.3300000000e-05  1.3787000000e-03
-
-JOB 306
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2491700000e-01  2.2317900000e-01 -7.6869100000e-01  5.4326000000e-02 -9.5552800000e-01 -1.5682000000e-02 -1.3191710000e+00  6.9192800000e-01 -2.1271490000e+00 -6.1502600000e-01  1.3110800000e+00 -2.3196630000e+00 -1.3788260000e+00  1.4516900000e-01 -2.9105570000e+00
-ENERGY -1.526565509895e+02
-FORCES -1.3088700000e-02  1.7007000000e-03 -1.6979000000e-02  8.4927000000e-03  3.3998000000e-03  4.6152000000e-03 -6.4430000000e-04  2.4041000000e-03 -1.2739000000e-03  7.3498000000e-03 -4.3749000000e-03  5.6899000000e-03 -3.2486000000e-03 -6.4531000000e-03  3.9572000000e-03  1.1392000000e-03  3.3234000000e-03  3.9906000000e-03
-
-JOB 307
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3081700000e-01 -3.4868000000e-02 -2.2044500000e-01 -4.4604800000e-01  3.1471000000e-02 -8.4633500000e-01 -9.9425000000e-01 -1.8977730000e+00  1.8471560000e+00 -8.0480100000e-01 -1.7845740000e+00  9.1574400000e-01 -1.2069190000e+00 -2.8266520000e+00  1.9376390000e+00
-ENERGY -1.526565956917e+02
-FORCES  3.2869000000e-03  2.8707000000e-03 -1.9216000000e-03 -4.8909000000e-03 -2.9830000000e-04  5.7480000000e-04  1.7416000000e-03 -2.5561000000e-03  4.9553000000e-03  2.2158000000e-03  2.9126000000e-03 -5.8101000000e-03 -3.8198000000e-03 -6.9858000000e-03  3.9668000000e-03  1.4663000000e-03  4.0570000000e-03 -1.7651000000e-03
-
-JOB 308
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1551400000e-01 -1.7992900000e-01 -2.1375800000e-01  3.9322000000e-02  6.8995000000e-01  6.6231000000e-01  2.4686170000e+00 -7.9591000000e-02 -6.2973900000e-01  2.9690290000e+00 -6.4354800000e-01 -4.0017000000e-02  2.9643910000e+00  7.3874600000e-01 -6.5738000000e-01
-ENERGY -1.526550149308e+02
-FORCES  2.4154300000e-02  1.5209000000e-03 -5.2517000000e-03 -5.5209000000e-03 -3.7511000000e-03  3.4369000000e-03  9.0600000000e-04 -1.2793000000e-03 -1.7255000000e-03 -1.3832000000e-02  4.3994000000e-03  4.2634000000e-03 -4.5270000000e-03  4.3127000000e-03 -2.2524000000e-03 -1.1804000000e-03 -5.2026000000e-03  1.5293000000e-03
-
-JOB 309
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1530000000e-03  9.5717700000e-01 -6.6060000000e-03  5.2785700000e-01 -2.4460300000e-01 -7.6011100000e-01  2.1126280000e+00  6.7324500000e-01  2.0434410000e+00  1.8968210000e+00  2.1687700000e-01  1.2301840000e+00  3.0393050000e+00  4.8158900000e-01  2.1875520000e+00
-ENERGY -1.526572309004e+02
-FORCES -2.5261000000e-03  4.4611000000e-03 -3.4105000000e-03  1.1881000000e-03 -5.6511000000e-03 -5.6460000000e-04 -4.1300000000e-05  1.1983000000e-03  5.8813000000e-03 -1.2932000000e-03 -4.3161000000e-03 -3.1937000000e-03  6.6433000000e-03  4.2081000000e-03  2.9787000000e-03 -3.9707000000e-03  9.9600000000e-05 -1.6913000000e-03
-
-JOB 310
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3078500000e-01 -1.7535000000e-01 -4.4190500000e-01 -1.7570900000e-01 -7.9417200000e-01  5.0462800000e-01  2.2060030000e+00 -2.3232900000e-01 -1.5997100000e+00  2.0498170000e+00  2.3818100000e-01 -2.4185250000e+00  2.9858600000e+00 -7.6018700000e-01 -1.7712380000e+00
-ENERGY -1.526607782575e+02
-FORCES  1.0411900000e-02 -3.5738000000e-03 -5.8706000000e-03 -7.8309000000e-03  1.5855000000e-03  4.6561000000e-03  1.5620000000e-03  1.8373000000e-03 -1.7623000000e-03 -2.8844000000e-03  3.1390000000e-04  8.2500000000e-05  2.2902000000e-03 -3.0403000000e-03  3.6225000000e-03 -3.5488000000e-03  2.8774000000e-03 -7.2810000000e-04
-
-JOB 311
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4540700000e-01 -3.6094800000e-01 -2.6690100000e-01 -5.9790900000e-01 -2.4070500000e-01 -7.0767100000e-01 -2.6743500000e-01 -1.3235750000e+00  2.5110920000e+00  4.5208200000e-01 -1.9349580000e+00  2.3538120000e+00 -3.5926500000e-01 -8.4410600000e-01  1.6877400000e+00
-ENERGY -1.526599173096e+02
-FORCES  1.6641000000e-03 -2.0104000000e-03 -3.2426000000e-03 -4.9457000000e-03  5.5690000000e-04  2.0276000000e-03  3.5605000000e-03  5.6020000000e-04  3.9996000000e-03  2.4189000000e-03  4.6966000000e-03 -1.1158000000e-02 -1.6351000000e-03  1.8996000000e-03 -8.1000000000e-05 -1.0627000000e-03 -5.7029000000e-03  8.4544000000e-03
-
-JOB 312
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4323600000e-01 -9.2054900000e-01  2.1978300000e-01 -8.0114000000e-02  4.3922600000e-01  8.4669600000e-01  2.7908740000e+00  1.8497000000e-01  1.8540000000e-02  1.8444690000e+00  2.2524300000e-01 -1.1903300000e-01  2.9512170000e+00  7.7226600000e-01  7.5719100000e-01
-ENERGY -1.526587643413e+02
-FORCES  2.9830000000e-04 -3.2222000000e-03  5.0361000000e-03  1.3127000000e-03  6.5793000000e-03 -1.4625000000e-03  3.4484000000e-03 -1.8680000000e-03 -4.9054000000e-03 -1.3021400000e-02  2.7013000000e-03 -5.3110000000e-04  1.0046500000e-02 -2.0658000000e-03  3.6195000000e-03 -2.0846000000e-03 -2.1248000000e-03 -1.7566000000e-03
-
-JOB 313
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5681000000e-01 -5.1617000000e-02  4.2360800000e-01 -8.9553000000e-02 -5.3506800000e-01 -7.8861500000e-01 -2.5339090000e+00 -1.3720000000e-02  1.0254380000e+00 -3.2691080000e+00  5.3124600000e-01  7.4485600000e-01 -2.8713480000e+00 -5.0475500000e-01  1.7746060000e+00
-ENERGY -1.526608108901e+02
-FORCES -1.3076700000e-02 -1.4686000000e-03  3.2619000000e-03  8.2771000000e-03 -7.3240000000e-04 -2.5406000000e-03 -2.2540000000e-04  1.5392000000e-03  2.0713000000e-03  2.4613000000e-03  1.4659000000e-03 -1.3051000000e-03  2.1374000000e-03 -3.7650000000e-03  2.5467000000e-03  4.2620000000e-04  2.9609000000e-03 -4.0342000000e-03
-
-JOB 314
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1201000000e-02  9.3256100000e-01 -2.1474000000e-01  7.0436200000e-01 -1.1547900000e-01  6.3778500000e-01  1.7576400000e-01  2.7021850000e+00  3.1530500000e-01  1.3729100000e-01  3.4614080000e+00 -2.6635800000e-01  7.8401700000e-01  2.9608670000e+00  1.0076520000e+00
-ENERGY -1.526583000115e+02
-FORCES  2.8556000000e-03  1.4590400000e-02  3.3314000000e-03 -9.3050000000e-04 -7.1996000000e-03 -3.2213000000e-03 -1.6258000000e-03 -5.6700000000e-05 -1.0730000000e-03  1.7850000000e-03 -2.5513000000e-03  1.6695000000e-03  5.9950000000e-04 -4.1156000000e-03  3.1753000000e-03 -2.6838000000e-03 -6.6730000000e-04 -3.8819000000e-03
-
-JOB 315
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4848000000e-01 -7.6658500000e-01  3.5699500000e-01  4.4507900000e-01 -3.2516200000e-01 -7.8256400000e-01  9.0916300000e-01 -1.7780060000e+00 -1.8645700000e+00  1.4093600000e-01 -1.9237370000e+00 -2.4166770000e+00  1.6543070000e+00 -1.9576810000e+00 -2.4379020000e+00
-ENERGY -1.526592515526e+02
-FORCES  5.6117000000e-03 -1.1850900000e-02 -7.6650000000e-03 -4.1410000000e-04  2.5766000000e-03 -5.9120000000e-04 -4.0262000000e-03  6.1795000000e-03  2.9284000000e-03 -8.6860000000e-04  9.4470000000e-04 -4.3890000000e-04  4.2605000000e-03  1.3902000000e-03  3.4746000000e-03 -4.5633000000e-03  7.5990000000e-04  2.2921000000e-03
-
-JOB 316
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1111800000e-01  4.5223300000e-01 -6.7117500000e-01  6.0658800000e-01  6.6399000000e-01  3.2771900000e-01 -1.6736720000e+00  6.2716000000e-01 -1.9782300000e+00 -1.4788230000e+00  1.5334620000e+00 -2.2167300000e+00 -1.3424140000e+00  1.0938200000e-01 -2.7119910000e+00
-ENERGY -1.526576940599e+02
-FORCES -1.0610300000e-02  4.0667000000e-03 -1.0778100000e-02  9.4234000000e-03  1.3278000000e-03  6.4675000000e-03 -3.4498000000e-03 -4.6340000000e-04 -3.3802000000e-03  4.0187000000e-03 -3.1227000000e-03 -5.5920000000e-04  2.0584000000e-03 -5.8292000000e-03  4.1584000000e-03 -1.4404000000e-03  4.0207000000e-03  4.0916000000e-03
-
-JOB 317
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6460000000e-01 -8.4328200000e-01  4.2191700000e-01 -6.5337000000e-02  6.3984800000e-01  7.0891300000e-01  2.7854410000e+00 -8.6433000000e-01  6.1669300000e-01  3.1294370000e+00 -1.6252810000e+00  1.4887600000e-01  1.8588270000e+00 -8.3487900000e-01  3.7846700000e-01
-ENERGY -1.526573089376e+02
-FORCES -3.5663000000e-03  2.7751000000e-03  4.8772000000e-03  6.7663000000e-03  3.7360000000e-03 -2.8560000000e-03  2.0130000000e-04 -3.9853000000e-03 -3.7141000000e-03 -5.7307000000e-03  1.2963000000e-03 -5.3674000000e-03 -2.4764000000e-03  2.5488000000e-03  1.5938000000e-03  4.8058000000e-03 -6.3709000000e-03  5.4665000000e-03
-
-JOB 318
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9139400000e-01 -5.1972800000e-01 -1.4074500000e-01 -3.6623300000e-01  1.2154400000e-01 -8.7597500000e-01 -1.5768180000e+00  1.2424000000e-01 -2.2216500000e+00 -2.2280690000e+00 -5.6518400000e-01 -2.0920360000e+00 -1.2750040000e+00  3.0850000000e-03 -3.1219060000e+00
-ENERGY -1.526603215103e+02
-FORCES -6.0389000000e-03  4.1870000000e-04 -1.2167600000e-02 -2.9662000000e-03  1.3729000000e-03 -1.1179000000e-03  6.8470000000e-03 -1.0904000000e-03  8.0949000000e-03 -4.6910000000e-04 -3.6514000000e-03  2.2944000000e-03  3.6457000000e-03  3.3894000000e-03 -2.2832000000e-03 -1.0184000000e-03 -4.3920000000e-04  5.1794000000e-03
-
-JOB 319
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0480000000e-02  9.5659600000e-01  1.5034000000e-02  3.0566000000e-02 -2.5366200000e-01  9.2247100000e-01  2.1275350000e+00  2.1642530000e+00  2.5617620000e+00  2.9149760000e+00  2.1690970000e+00  3.1059550000e+00  2.1272630000e+00  3.0197620000e+00  2.1324180000e+00
-ENERGY -1.526556528599e+02
-FORCES  1.3235000000e-03  3.4297000000e-03  5.2253000000e-03 -6.5520000000e-04 -3.3678000000e-03 -1.2296000000e-03 -1.2256000000e-03 -1.4820000000e-04 -4.2331000000e-03  4.3869000000e-03  3.5676000000e-03  8.6810000000e-04 -3.3279000000e-03  2.0690000000e-04 -2.1845000000e-03 -5.0170000000e-04 -3.6882000000e-03  1.5538000000e-03
-
-JOB 320
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1240600000e-01 -9.4640400000e-01 -8.8970000000e-02 -4.1100200000e-01  2.1277300000e-01  8.3787600000e-01 -1.9579050000e+00  1.0591890000e+00 -1.5149950000e+00 -1.2496890000e+00  7.8505400000e-01 -9.3231900000e-01 -1.9486510000e+00  2.0153160000e+00 -1.4706520000e+00
-ENERGY -1.526591732113e+02
-FORCES -4.6823000000e-03 -2.8393000000e-03 -1.3645000000e-03  8.0700000000e-05  5.6492000000e-03  1.2327000000e-03  1.4000000000e-05  4.0440000000e-04 -7.3277000000e-03  1.3747500000e-02 -4.6433000000e-03  7.4539000000e-03 -1.0344900000e-02  4.6507000000e-03 -1.7002000000e-03  1.1852000000e-03 -3.2217000000e-03  1.7058000000e-03
-
-JOB 321
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0381900000e-01 -3.0231000000e-01 -6.7841300000e-01 -8.0858000000e-02 -7.4317900000e-01  5.9781100000e-01 -2.3415860000e+00 -4.5732900000e-01 -1.5084470000e+00 -1.9206130000e+00 -1.6591400000e-01 -6.9968800000e-01 -1.9628630000e+00  9.8180000000e-02 -2.1897760000e+00
-ENERGY -1.526578105827e+02
-FORCES  7.5870000000e-04 -6.3521000000e-03 -4.5649000000e-03 -2.2066000000e-03  1.9617000000e-03  3.3387000000e-03 -1.5360000000e-03  4.0456000000e-03 -3.4368000000e-03  1.1345400000e-02  6.2184000000e-03  5.0759000000e-03 -7.1150000000e-03 -3.4299000000e-03 -1.0376000000e-03 -1.2465000000e-03 -2.4437000000e-03  6.2460000000e-04
-
-JOB 322
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5915600000e-01  5.8068300000e-01 -5.2161000000e-02 -9.2933000000e-02 -4.4124800000e-01  8.4433100000e-01 -3.9964300000e-01 -1.2229820000e+00  2.3122070000e+00  2.1481100000e-01 -7.0269200000e-01  2.8298720000e+00 -3.5106300000e-01 -2.1001090000e+00  2.6923650000e+00
-ENERGY -1.526583191899e+02
-FORCES -5.7782000000e-03 -8.9158000000e-03  1.3315500000e-02  2.0768000000e-03 -1.5948000000e-03  1.1126000000e-03  4.2003000000e-03  8.0106000000e-03 -2.5490000000e-03  2.4210000000e-03 -1.0360000000e-04 -6.5118000000e-03 -3.2114000000e-03 -2.7539000000e-03 -5.5608000000e-03  2.9160000000e-04  5.3576000000e-03  1.9340000000e-04
-
-JOB 323
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4456000000e-02  7.5622800000e-01 -5.8580200000e-01 -1.3863800000e-01  3.7594100000e-01  8.6929800000e-01 -2.5722660000e+00 -1.0455730000e+00 -4.8278000000e-01 -1.7522680000e+00 -5.9065800000e-01 -2.9071600000e-01 -2.5606730000e+00 -1.1708070000e+00 -1.4316820000e+00
-ENERGY -1.526595409163e+02
-FORCES  1.0043000000e-03  3.3606000000e-03  1.5050000000e-03 -2.4114000000e-03 -4.9931000000e-03  2.8891000000e-03 -1.3782000000e-03 -2.3898000000e-03 -6.0083000000e-03  1.3387200000e-02  2.8895000000e-03 -6.8760000000e-04 -1.0818600000e-02 -3.5000000000e-05 -2.7340000000e-04  2.1670000000e-04  1.1678000000e-03  2.5752000000e-03
-
-JOB 324
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0381000000e-01  6.5050500000e-01  6.9447700000e-01 -8.8253600000e-01 -3.4232100000e-01 -1.4205100000e-01  1.6427100000e+00  1.2473100000e+00 -1.9052580000e+00  2.3613370000e+00  7.5694600000e-01 -2.3044460000e+00  1.2872550000e+00  6.5525700000e-01 -1.2424180000e+00
-ENERGY -1.526613113018e+02
-FORCES -3.5523000000e-03  2.8123000000e-03 -1.4381000000e-03  1.1810000000e-04 -3.5328000000e-03 -3.5256000000e-03  3.4750000000e-03  1.7331000000e-03  2.3121000000e-03 -4.7730000000e-03 -6.5542000000e-03  5.9573000000e-03 -2.9687000000e-03  4.9380000000e-04  1.9531000000e-03  7.7009000000e-03  5.0478000000e-03 -5.2588000000e-03
-
-JOB 325
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5985900000e-01 -9.4347900000e-01  2.2879000000e-02 -3.9475100000e-01  2.9042300000e-01 -8.2222700000e-01 -1.3009240000e+00 -2.9806610000e+00  4.0044000000e-01 -2.1491980000e+00 -2.6050490000e+00  1.6468900000e-01 -1.4741440000e+00 -3.9158860000e+00  5.0806100000e-01
-ENERGY -1.526588343644e+02
-FORCES -1.2984000000e-03 -5.1391000000e-03 -2.2547000000e-03  7.2450000000e-04  8.3435000000e-03 -1.4973000000e-03  7.4700000000e-04 -1.1360000000e-03  3.1468000000e-03 -4.4353000000e-03 -4.8574000000e-03  9.7510000000e-04  4.6896000000e-03 -1.3151000000e-03  1.3710000000e-04 -4.2750000000e-04  4.1041000000e-03 -5.0700000000e-04
-
-JOB 326
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2688400000e-01  3.4195100000e-01 -5.2051900000e-01  6.8846300000e-01 -1.8197300000e-01 -6.3963700000e-01  6.0569400000e-01  1.8598290000e+00  1.8458970000e+00  4.1001500000e-01  1.2421550000e+00  1.1413260000e+00  9.6467400000e-01  2.6268720000e+00  1.3997930000e+00
-ENERGY -1.526594018439e+02
-FORCES  1.1803000000e-03  3.0546000000e-03  3.3360000000e-04  5.4160000000e-03 -5.3240000000e-04  2.9372000000e-03 -4.1875000000e-03  2.3752000000e-03  3.1025000000e-03 -2.6830000000e-03 -1.0827100000e-02 -1.1904100000e-02  1.6287000000e-03  9.1870000000e-03  5.8711000000e-03 -1.3545000000e-03 -3.2572000000e-03 -3.4030000000e-04
-
-JOB 327
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6795500000e-01 -4.1312000000e-01 -6.5037700000e-01 -3.0647600000e-01  9.0566500000e-01  4.5560000000e-02 -3.4938080000e+00  7.5664000000e-02 -5.8973800000e-01 -2.7870600000e+00  1.4083500000e-01 -1.2319930000e+00 -4.2946950000e+00  7.0173000000e-02 -1.1139340000e+00
-ENERGY -1.526524771556e+02
-FORCES -4.2900000000e-03  1.5981000000e-03 -4.3400000000e-04  1.5164000000e-03  2.9671000000e-03  7.9000000000e-04  1.8325000000e-03 -3.9552000000e-03 -1.3660000000e-03 -2.2344000000e-03  1.2980000000e-04 -5.0790000000e-03 -4.9870000000e-04 -7.9630000000e-04  3.5637000000e-03  3.6743000000e-03  5.6600000000e-05  2.5253000000e-03
-
-JOB 328
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2280300000e-01  8.4382800000e-01 -1.5944500000e-01 -3.2557700000e-01  6.0599000000e-02  8.9808600000e-01 -8.6393700000e-01  7.8977800000e-01  2.5149890000e+00 -3.3557900000e-01  3.6408500000e-01  3.1901590000e+00 -1.7666270000e+00  5.6218900000e-01  2.7376660000e+00
-ENERGY -1.526605518232e+02
-FORCES -3.7732000000e-03  7.6449000000e-03  1.2549100000e-02 -4.6820000000e-04 -2.4821000000e-03 -2.9820000000e-04  3.0076000000e-03 -5.6634000000e-03 -7.1506000000e-03 -1.1812000000e-03 -1.2843000000e-03  8.9610000000e-04 -3.0445000000e-03  1.4420000000e-03 -4.8798000000e-03  5.4595000000e-03  3.4290000000e-04 -1.1167000000e-03
-
-JOB 329
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1693100000e-01  1.3650900000e-01  2.3839900000e-01 -7.6141000000e-02 -9.4535000000e-01 -1.2941100000e-01 -9.8990000000e-01  2.1061430000e+00  2.1604290000e+00 -1.2051890000e+00  2.8651310000e+00  2.7024810000e+00 -3.0566200000e-01  2.4198600000e+00  1.5691330000e+00
-ENERGY -1.526529384501e+02
-FORCES  2.0754000000e-03 -4.6590000000e-03  1.8507000000e-03 -3.8634000000e-03  1.0307000000e-03 -1.1652000000e-03  5.6390000000e-04  3.7906000000e-03  1.3290000000e-04  1.9861000000e-03  3.5299000000e-03 -2.3610000000e-03  7.2520000000e-04 -3.6804000000e-03 -2.3744000000e-03 -1.4873000000e-03 -1.1800000000e-05  3.9170000000e-03
-
-JOB 330
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5467000000e-01 -4.2986900000e-01  4.0239000000e-01  3.8323200000e-01 -6.6920200000e-01 -5.6704000000e-01  2.4694000000e-01  2.4927510000e+00  9.9473600000e-01  4.3555800000e-01  1.7056430000e+00  4.8374200000e-01  4.5936800000e-01  3.2173840000e+00  4.0650600000e-01
-ENERGY -1.526601484766e+02
-FORCES -2.4378000000e-03  2.5309000000e-03  3.4621000000e-03  4.1491000000e-03 -2.4690000000e-04 -3.2998000000e-03 -2.6326000000e-03  2.8095000000e-03  2.6821000000e-03 -3.1670000000e-04 -1.0170400000e-02 -6.2237000000e-03  1.5174000000e-03  8.5873000000e-03  2.6886000000e-03 -2.7940000000e-04 -3.5105000000e-03  6.9080000000e-04
-
-JOB 331
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2074700000e-01  8.6526600000e-01  3.9110900000e-01  9.8147000000e-02 -6.0974200000e-01  7.3131000000e-01  2.0650070000e+00 -5.2021200000e-01 -1.7449300000e+00  2.2752730000e+00 -1.2672240000e+00 -1.1845780000e+00  1.2828940000e+00 -1.3583000000e-01 -1.3489750000e+00
-ENERGY -1.526583501587e+02
-FORCES  4.7707000000e-03 -1.6651000000e-03  2.1276000000e-03  4.5880000000e-04 -4.9797000000e-03 -2.7897000000e-03  4.2300000000e-05  3.3382000000e-03 -3.4250000000e-03 -1.1829400000e-02  4.8600000000e-05  1.1122600000e-02  2.9160000000e-04  1.3085000000e-03 -1.2244000000e-03  6.2660000000e-03  1.9494000000e-03 -5.8111000000e-03
-
-JOB 332
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6100400000e-01 -2.8953100000e-01  8.3790200000e-01 -4.9775200000e-01 -4.8686200000e-01 -6.5684100000e-01  2.3625530000e+00 -8.6452300000e-01 -4.2857800000e-01  1.5438790000e+00 -4.6512300000e-01 -1.3449500000e-01  2.0909560000e+00 -1.5342100000e+00 -1.0562620000e+00
-ENERGY -1.526544890365e+02
-FORCES  1.1600800000e-02 -8.0065000000e-03 -3.5329000000e-03  3.1845000000e-03  4.4130000000e-04 -5.5640000000e-03  3.7460000000e-03  1.2907000000e-03  4.2714000000e-03 -2.4399200000e-02  8.2381000000e-03  3.2990000000e-03  6.8312000000e-03 -3.8208000000e-03  1.9340000000e-04 -9.6320000000e-04  1.8574000000e-03  1.3331000000e-03
-
-JOB 333
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8114600000e-01 -7.0825300000e-01  4.2791200000e-01 -3.8351500000e-01  8.0085300000e-01  3.5746600000e-01 -1.9936200000e+00 -6.5640000000e-01 -2.0652440000e+00 -2.4205430000e+00  1.0496600000e-01 -2.4580420000e+00 -1.3331180000e+00 -2.8577400000e-01 -1.4799200000e+00
-ENERGY -1.526597938242e+02
-FORCES -9.8570000000e-04 -6.1200000000e-04  6.6428000000e-03  1.4395000000e-03  4.9079000000e-03 -4.6807000000e-03  5.8320000000e-04 -4.4214000000e-03 -3.9160000000e-03  6.8382000000e-03  4.9803000000e-03  3.2985000000e-03  1.9476000000e-03 -1.9245000000e-03  2.3157000000e-03 -9.8229000000e-03 -2.9304000000e-03 -3.6604000000e-03
-
-JOB 334
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3582000000e-02  9.4285400000e-01 -1.6165000000e-01 -7.6614800000e-01 -3.0019100000e-01 -4.8901300000e-01  4.3239300000e-01 -3.9581370000e+00 -1.7062100000e-01 -1.9436500000e-01 -3.7633230000e+00 -8.6736600000e-01  2.5784800000e-01 -3.2983790000e+00  5.0056200000e-01
-ENERGY -1.526546747304e+02
-FORCES -2.3742000000e-03  4.2110000000e-03 -2.9258000000e-03 -3.6140000000e-04 -3.9818000000e-03  5.5150000000e-04  3.2093000000e-03  1.1320000000e-04  2.3762000000e-03 -2.2776000000e-03  4.5781000000e-03  2.9910000000e-04  1.9795000000e-03 -7.7510000000e-04  2.6034000000e-03 -1.7560000000e-04 -4.1454000000e-03 -2.9044000000e-03
-
-JOB 335
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1220000000e-03 -8.8465800000e-01 -3.6543900000e-01 -9.2425700000e-01  2.3808100000e-01  7.2796000000e-02  1.5730800000e+00  1.1965480000e+00  2.2164730000e+00  7.3770900000e-01  9.3969100000e-01  1.8260730000e+00  1.6954430000e+00  5.8687300000e-01  2.9441800000e+00
-ENERGY -1.526569517764e+02
-FORCES -1.1846000000e-03 -4.1411000000e-03 -3.5009000000e-03 -8.2390000000e-04  4.1932000000e-03  1.3183000000e-03  5.5103000000e-03 -6.6560000000e-04  2.1284000000e-03 -4.3605000000e-03 -6.0161000000e-03 -4.1088000000e-03  1.2979000000e-03  4.7760000000e-03  6.7910000000e-03 -4.3920000000e-04  1.8537000000e-03 -2.6280000000e-03
-
-JOB 336
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3567400000e-01 -8.8197500000e-01 -2.8776700000e-01 -4.4615200000e-01  1.0551400000e-01  8.4026600000e-01 -1.8942810000e+00  1.5694600000e-01  2.0181330000e+00 -2.7039540000e+00 -3.4850000000e-03  1.5334450000e+00 -1.8061610000e+00 -6.0117900000e-01  2.5958120000e+00
-ENERGY -1.526591251441e+02
-FORCES -1.0092200000e-02 -1.0025000000e-03  1.0274400000e-02  3.8100000000e-05  2.3448000000e-03  9.8620000000e-04  7.6707000000e-03 -1.8293000000e-03 -5.9549000000e-03 -2.4726000000e-03 -2.3086000000e-03 -3.5056000000e-03  4.2924000000e-03 -4.9880000000e-04  3.1505000000e-03  5.6350000000e-04  3.2944000000e-03 -4.9505000000e-03
-
-JOB 337
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9148900000e-01 -5.3212700000e-01 -6.2570900000e-01 -4.1839600000e-01 -1.7342900000e-01  8.4326700000e-01 -8.1962800000e-01 -1.6770710000e+00 -2.0554350000e+00 -2.7159500000e-01 -2.3993540000e+00 -1.7485170000e+00 -2.1343400000e-01 -1.0923390000e+00 -2.5102420000e+00
-ENERGY -1.526599440843e+02
-FORCES -7.6407000000e-03 -7.7076000000e-03 -6.5343000000e-03  7.1901000000e-03  6.5215000000e-03  4.8358000000e-03  1.0077000000e-03 -7.8120000000e-04 -3.2312000000e-03  6.7976000000e-03 -7.8260000000e-04 -6.6640000000e-04 -3.2670000000e-03  4.7082000000e-03 -4.3050000000e-04 -4.0877000000e-03 -1.9583000000e-03  6.0266000000e-03
-
-JOB 338
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1080100000e-01  7.2202800000e-01  6.1857100000e-01  2.8406800000e-01 -7.7583300000e-01  4.8334300000e-01  1.7977150000e+00  3.4347800000e-01 -2.0029400000e+00  1.1701510000e+00  2.9156700000e-01 -1.2820380000e+00  1.3045100000e+00  7.3730400000e-01 -2.7225800000e+00
-ENERGY -1.526607379350e+02
-FORCES  3.8503000000e-03 -1.0705000000e-03  4.0680000000e-04  6.6830000000e-04 -4.1300000000e-03 -4.3403000000e-03 -9.6790000000e-04  5.2176000000e-03 -2.3695000000e-03 -1.2868500000e-02 -1.6700000000e-03  9.7664000000e-03  8.5803000000e-03  2.3867000000e-03 -6.1559000000e-03  7.3760000000e-04 -7.3370000000e-04  2.6925000000e-03
-
-JOB 339
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3832400000e-01  1.5524800000e-01  4.3513600000e-01 -6.5732300000e-01  2.5263100000e-01  6.4833300000e-01  1.5443740000e+00 -5.5979100000e-01 -2.5457700000e+00  1.3551330000e+00 -1.4600260000e+00 -2.8103400000e+00  1.0325110000e+00 -4.3173100000e-01 -1.7471280000e+00
-ENERGY -1.526599299010e+02
-FORCES -1.9790000000e-03  2.5170000000e-03  4.5989000000e-03 -4.1815000000e-03 -1.3995000000e-03 -3.8919000000e-03  3.8192000000e-03 -9.9070000000e-04 -1.4636000000e-03 -6.3644000000e-03 -1.9666000000e-03  4.0359000000e-03  8.1640000000e-04  2.9154000000e-03  7.2070000000e-04  7.8893000000e-03 -1.0756000000e-03 -3.9999000000e-03
-
-JOB 340
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4094100000e-01 -1.1135700000e-01 -5.9568300000e-01 -3.2182600000e-01 -3.1469100000e-01  8.4476600000e-01  7.2500000000e-03  1.2159700000e+00 -3.4980580000e+00 -2.8890000000e-01  1.3426430000e+00 -4.3994360000e+00  2.3072000000e-02  2.0971560000e+00 -3.1245720000e+00
-ENERGY -1.526553412870e+02
-FORCES -4.1786000000e-03 -2.2196000000e-03 -3.6900000000e-04  2.3677000000e-03  4.2460000000e-04  4.5311000000e-03  1.3034000000e-03  1.3159000000e-03 -3.4592000000e-03  1.5880000000e-04  4.7614000000e-03 -2.4183000000e-03  1.1565000000e-03 -5.7880000000e-04  3.8698000000e-03 -8.0770000000e-04 -3.7035000000e-03 -2.1543000000e-03
-
-JOB 341
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0885800000e-01  7.8403600000e-01 -3.6654400000e-01  8.2193400000e-01  3.1244200000e-01  3.7820100000e-01 -1.0324110000e+00  2.2965620000e+00 -1.1283510000e+00 -1.2017380000e+00  1.8261470000e+00 -1.9446040000e+00 -4.1131500000e-01  2.9831320000e+00 -1.3714450000e+00
-ENERGY -1.526593433625e+02
-FORCES -3.2780000000e-03  1.4493100000e-02 -2.8438000000e-03  2.0371000000e-03 -1.0255500000e-02 -8.4540000000e-04 -2.0394000000e-03 -4.9190000000e-04 -1.4181000000e-03  3.6247000000e-03 -7.0030000000e-04 -2.4241000000e-03  2.7492000000e-03  8.7010000000e-04  6.7012000000e-03 -3.0936000000e-03 -3.9154000000e-03  8.3020000000e-04
-
-JOB 342
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0967100000e-01 -9.0618300000e-01 -2.8815900000e-01  8.9602100000e-01  2.2477900000e-01 -2.5070500000e-01  2.9624300000e-01 -2.4832280000e+00  2.9396120000e+00  1.0137810000e+00 -2.7057970000e+00  2.3464560000e+00 -4.9695100000e-01 -2.6668910000e+00  2.4362810000e+00
-ENERGY -1.526526624088e+02
-FORCES  3.5045000000e-03 -2.0026000000e-03 -1.7890000000e-03  3.6400000000e-04  2.9986000000e-03  1.6981000000e-03 -3.7599000000e-03 -1.2083000000e-03  8.6420000000e-04 -7.0600000000e-04 -1.8610000000e-04 -4.4803000000e-03 -2.8483000000e-03  5.0330000000e-04  2.0222000000e-03  3.4458000000e-03 -1.0490000000e-04  1.6847000000e-03
-
-JOB 343
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2076800000e-01 -1.6189800000e-01 -2.0544200000e-01  1.8714000000e-02  9.0018000000e-01  3.2489700000e-01  4.3594300000e-01  2.1791160000e+00 -2.1607220000e+00 -4.0220900000e-01  2.0007370000e+00 -2.5872350000e+00  2.5493100000e-01  2.0820370000e+00 -1.2258200000e+00
-ENERGY -1.526489823891e+02
-FORCES -3.2673000000e-03  1.8677000000e-03 -9.9200000000e-05  4.4045000000e-03  1.5369000000e-03  3.4730000000e-04  2.9810000000e-04 -6.4010000000e-04 -6.2611000000e-03 -4.0186000000e-03 -6.2184000000e-03  2.9715000000e-03  3.0437000000e-03  1.2416000000e-03  1.6265000000e-03 -4.6040000000e-04  2.2122000000e-03  1.4150000000e-03
-
-JOB 344
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2255300000e-01  2.2177300000e-01 -1.2627000000e-01  4.7620400000e-01  6.5346200000e-01 -5.1229800000e-01 -2.6757570000e+00 -4.9088800000e-01  1.5574900000e-01 -2.7632070000e+00 -1.2595230000e+00  7.1947300000e-01 -2.8498310000e+00 -8.1918300000e-01 -7.2638000000e-01
-ENERGY -1.526592181705e+02
-FORCES -1.0704500000e-02 -1.6100000000e-05  1.4526000000e-03  9.3678000000e-03  2.5524000000e-03 -4.2563000000e-03 -4.2042000000e-03 -2.1231000000e-03  9.1200000000e-04  4.6971000000e-03 -6.2266000000e-03  1.3386000000e-03 -1.5109000000e-03  3.1021000000e-03 -3.4440000000e-03  2.3548000000e-03  2.7113000000e-03  3.9971000000e-03
-
-JOB 345
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2573700000e-01  3.7526000000e-02  2.4048900000e-01 -4.4529600000e-01 -2.7423200000e-01  8.0171000000e-01  1.0304830000e+00  1.0906610000e+00 -2.9535810000e+00  9.0694700000e-01  1.6178370000e+00 -3.7429200000e+00  1.3855420000e+00  2.6086100000e-01 -3.2723260000e+00
-ENERGY -1.526528228094e+02
-FORCES  2.8451000000e-03  2.1850000000e-04  3.6757000000e-03 -3.8897000000e-03 -1.2640000000e-03 -2.8010000000e-04  1.5953000000e-03  1.3190000000e-03 -3.7479000000e-03 -3.6800000000e-04 -1.8278000000e-03 -4.3962000000e-03  4.2150000000e-04 -2.1455000000e-03  3.4009000000e-03 -6.0420000000e-04  3.6999000000e-03  1.3476000000e-03
-
-JOB 346
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6962100000e-01 -8.4780000000e-02  8.7887700000e-01  4.0645000000e-01 -7.0744300000e-01 -5.0055400000e-01  9.4598100000e-01 -1.8884540000e+00 -1.6152940000e+00  1.8850690000e+00 -2.0584520000e+00 -1.5414930000e+00  6.5455800000e-01 -2.4566030000e+00 -2.3283940000e+00
-ENERGY -1.526586113007e+02
-FORCES  4.3372000000e-03 -1.1361600000e-02 -8.2259000000e-03  3.7920000000e-04 -1.0695000000e-03 -3.5349000000e-03  7.8430000000e-04  5.6660000000e-03  6.5395000000e-03 -4.2446000000e-03  4.4430000000e-03  2.1821000000e-03 -5.2643000000e-03  6.4120000000e-04  1.4200000000e-04  4.0083000000e-03  1.6809000000e-03  2.8972000000e-03
-
-JOB 347
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5350400000e-01  5.7316500000e-01  7.5109900000e-01 -1.1570800000e-01 -8.8500000000e-01  3.4585900000e-01 -7.0602700000e-01  1.3930540000e+00  2.1381650000e+00 -1.6165320000e+00  1.3123460000e+00  2.4222420000e+00 -6.7644200000e-01  2.2215880000e+00  1.6597420000e+00
-ENERGY -1.526570867726e+02
-FORCES -5.2170000000e-03  6.0823000000e-03  1.8378800000e-02  3.1201000000e-03  2.7517000000e-03 -8.8250000000e-03 -3.5290000000e-04  1.9715000000e-03 -9.8060000000e-04 -2.9663000000e-03 -3.9608000000e-03 -7.3327000000e-03  4.8578000000e-03  1.2708000000e-03 -1.1538000000e-03  5.5820000000e-04 -8.1156000000e-03 -8.6700000000e-05
-
-JOB 348
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3962800000e-01  1.6846000000e-01  7.0374000000e-02 -6.6093000000e-02 -7.4588800000e-01 -5.9625000000e-01 -1.0570510000e+00  1.5690220000e+00 -1.9145780000e+00 -4.3965600000e-01  1.4975820000e+00 -2.6425560000e+00 -7.5607000000e-01  9.1872600000e-01 -1.2799470000e+00
-ENERGY -1.526559502841e+02
-FORCES  2.8034000000e-03  3.0394000000e-03 -3.4774000000e-03 -5.1369000000e-03 -1.8001000000e-03 -1.4584000000e-03 -1.0402000000e-03  9.1976000000e-03 -3.3500000000e-04  8.0137000000e-03 -8.2471000000e-03  1.2068700000e-02 -9.1940000000e-04 -1.2279000000e-03  3.3918000000e-03 -3.7206000000e-03 -9.6200000000e-04 -1.0189600000e-02
-
-JOB 349
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9219800000e-01  8.3129000000e-01  2.6715100000e-01 -7.4425700000e-01 -5.9131600000e-01 -1.1251000000e-01 -2.4488570000e+00 -1.2733830000e+00  6.1840000000e-02 -2.1468240000e+00 -2.0962010000e+00  4.4651800000e-01 -3.1893820000e+00 -1.0104950000e+00  6.0841400000e-01
-ENERGY -1.526582212226e+02
-FORCES -1.5486200000e-02 -2.3606000000e-03  3.9290000000e-04  1.9308000000e-03 -1.2713000000e-03 -2.4100000000e-04  8.4514000000e-03 -2.6497000000e-03  2.0250000000e-04  1.3552000000e-03  2.3602000000e-03  4.4686000000e-03  4.5740000000e-04  6.1510000000e-03 -2.4238000000e-03  3.2913000000e-03 -2.2296000000e-03 -2.3992000000e-03
-
-JOB 350
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5264900000e-01  1.2982800000e-01 -5.7697100000e-01 -7.7090000000e-03  7.6173300000e-01  5.7960000000e-01 -1.8364580000e+00  8.3799300000e-01 -1.8600570000e+00 -1.8557660000e+00  1.7290960000e+00 -2.2090470000e+00 -1.4556520000e+00  3.1280400000e-01 -2.5638990000e+00
-ENERGY -1.526589385700e+02
-FORCES -1.1068100000e-02  8.1319000000e-03 -6.9355000000e-03  5.9264000000e-03 -6.7609000000e-03  2.1161000000e-03  5.1840000000e-04 -1.7738000000e-03 -1.4004000000e-03  5.9910000000e-03  2.3954000000e-03 -3.3300000000e-05 -2.3460000000e-04 -4.5553000000e-03  5.4580000000e-04 -1.1332000000e-03  2.5628000000e-03  5.7073000000e-03
-
-JOB 351
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5538000000e-02 -7.4856400000e-01  5.9481900000e-01 -6.0842100000e-01 -2.1732800000e-01 -7.0627500000e-01  2.3342930000e+00  1.5068340000e+00 -5.6133800000e-01  3.0965360000e+00  1.2106910000e+00 -1.0588500000e+00  1.7033920000e+00  7.9132200000e-01 -6.4031300000e-01
-ENERGY -1.526598080813e+02
-FORCES -2.7326000000e-03 -2.2724000000e-03  1.8898000000e-03 -3.3820000000e-04  3.2731000000e-03 -3.6161000000e-03  4.1413000000e-03  6.3540000000e-04  3.2400000000e-03 -6.1998000000e-03 -5.9510000000e-03  9.3010000000e-04 -3.5981000000e-03 -2.5990000000e-04  1.7042000000e-03  8.7274000000e-03  4.5748000000e-03 -4.1481000000e-03
-
-JOB 352
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3574100000e-01 -5.8501700000e-01 -4.1209200000e-01 -5.2277100000e-01  5.4928300000e-01  5.8415000000e-01  1.7044900000e-01  2.7013400000e+00 -1.9481200000e+00  1.8691500000e-01  3.4790270000e+00 -2.5059410000e+00  5.3334400000e-01  2.0053300000e+00 -2.4959420000e+00
-ENERGY -1.526548630487e+02
-FORCES -5.2552000000e-03  2.2161000000e-03  1.0959000000e-03  2.8912000000e-03  2.1600000000e-03  1.0807000000e-03  1.8167000000e-03 -3.7506000000e-03 -1.1829000000e-03  2.6801000000e-03 -1.3784000000e-03 -4.0886000000e-03 -2.3710000000e-04 -3.3678000000e-03  2.6322000000e-03 -1.8956000000e-03  4.1208000000e-03  4.6270000000e-04
-
-JOB 353
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5476800000e-01  2.3065300000e-01  8.9337800000e-01 -3.3882700000e-01 -8.8647100000e-01 -1.2488700000e-01 -8.9248100000e-01  1.9175990000e+00 -1.6016660000e+00 -2.3409800000e-01  1.9651290000e+00 -2.2948500000e+00 -6.3244800000e-01  1.1617090000e+00 -1.0751250000e+00
-ENERGY -1.526599673346e+02
-FORCES -3.9849000000e-03  4.3896000000e-03 -1.5772000000e-03  5.8450000000e-04 -2.1324000000e-03 -5.4603000000e-03  1.2910000000e-03  5.4585000000e-03  7.8850000000e-04  8.4170000000e-03 -1.3359200000e-02  9.5378000000e-03 -1.5012000000e-03 -1.1309000000e-03  2.0074000000e-03 -4.8064000000e-03  6.7745000000e-03 -5.2962000000e-03
-
-JOB 354
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7082800000e-01  9.2265800000e-01 -1.8908000000e-01 -3.0045500000e-01 -4.6466200000e-01 -7.8105600000e-01  2.6235110000e+00 -1.5693700000e-01  9.0767300000e-01  1.8477520000e+00 -2.5449600000e-01  3.5548500000e-01  2.7748550000e+00  7.8751700000e-01  9.4420000000e-01
-ENERGY -1.526583835875e+02
-FORCES -7.9420000000e-04  2.6261000000e-03 -7.3770000000e-04  1.9616000000e-03 -4.9193000000e-03  5.4770000000e-04  3.1138000000e-03  2.7409000000e-03  4.1293000000e-03 -1.3040300000e-02  2.9725000000e-03 -4.0275000000e-03  9.5388000000e-03 -1.1247000000e-03  3.5330000000e-04 -7.7970000000e-04 -2.2954000000e-03 -2.6510000000e-04
-
-JOB 355
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6428200000e-01 -2.5048900000e-01 -8.4899100000e-01  2.0359500000e-01  9.3081900000e-01 -9.1415000000e-02  2.8703500000e-01 -2.4195120000e+00  1.4864890000e+00  6.1228100000e-01 -3.0528340000e+00  8.4668500000e-01  3.9408400000e-01 -1.5698460000e+00  1.0588910000e+00
-ENERGY -1.526604525078e+02
-FORCES -1.1344000000e-03  1.3890000000e-03 -1.6316000000e-03  2.6916000000e-03  1.5616000000e-03  3.7644000000e-03 -1.7898000000e-03 -4.2316000000e-03 -9.7600000000e-04  9.6190000000e-04  7.6893000000e-03 -5.8893000000e-03 -1.5472000000e-03  2.3810000000e-03  1.1927000000e-03  8.1780000000e-04 -8.7893000000e-03  3.5397000000e-03
-
-JOB 356
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1972100000e-01 -1.6214200000e-01  2.0989400000e-01 -4.7577900000e-01 -2.6149800000e-01  7.8834300000e-01  2.6185310000e+00 -5.9808100000e-01  5.2557600000e-01  2.6010520000e+00 -1.5203420000e+00  7.8123500000e-01  3.0772300000e+00 -5.9057900000e-01 -3.1452600000e-01
-ENERGY -1.526603706968e+02
-FORCES  1.4169700000e-02 -2.4670000000e-03  5.6074000000e-03 -1.0498000000e-02  7.5750000000e-04 -3.2370000000e-03  2.4144000000e-03 -2.7140000000e-04 -1.9438000000e-03 -1.7791000000e-03 -2.6377000000e-03 -3.4271000000e-03 -1.0186000000e-03  5.2582000000e-03 -1.6741000000e-03 -3.2884000000e-03 -6.3960000000e-04  4.6746000000e-03
-
-JOB 357
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8223900000e-01  4.8373500000e-01 -7.3220600000e-01 -6.9297300000e-01 -2.3601000000e-02  6.5989600000e-01 -1.2676600000e-01 -2.3844910000e+00 -1.6049780000e+00  4.5102100000e-01 -2.3613010000e+00 -2.3677730000e+00  9.3836000000e-02 -1.5937820000e+00 -1.1126910000e+00
-ENERGY -1.526607042393e+02
-FORCES -5.8445000000e-03  1.5989000000e-03  1.6644000000e-03  2.7764000000e-03 -4.9918000000e-03  2.7093000000e-03  3.3346000000e-03  1.0121000000e-03 -3.6370000000e-03  3.6019000000e-03  7.3272000000e-03  5.4883000000e-03 -2.0022000000e-03  1.5784000000e-03  2.7946000000e-03 -1.8662000000e-03 -6.5248000000e-03 -9.0196000000e-03
-
-JOB 358
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6563800000e-01 -8.7145000000e-01 -1.5203500000e-01  2.3260200000e-01  4.9792300000e-01 -7.8371000000e-01  7.3667800000e-01 -2.6796470000e+00  2.2506800000e-01  7.0404500000e-01 -3.4383740000e+00 -3.5759800000e-01  1.2478000000e-01 -2.8918400000e+00  9.2989900000e-01
-ENERGY -1.526614447356e+02
-FORCES  4.5191000000e-03 -9.5795000000e-03 -1.6932000000e-03 -3.5223000000e-03  1.0130100000e-02 -8.6200000000e-05 -2.4310000000e-04 -2.8889000000e-03  1.8080000000e-03 -3.7601000000e-03 -1.2417000000e-03  1.2009000000e-03 -2.4490000000e-04  3.2814000000e-03  3.2292000000e-03  3.2513000000e-03  2.9860000000e-04 -4.4588000000e-03
-
-JOB 359
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2915800000e-01  1.3437700000e-01  7.8623600000e-01  3.2763000000e-01  8.7188800000e-01 -2.2068400000e-01 -1.0926880000e+00 -6.4049900000e-01  2.3135520000e+00 -9.1640700000e-01 -1.5675270000e+00  2.4741010000e+00 -2.0413060000e+00 -5.5640200000e-01  2.4098960000e+00
-ENERGY -1.526585991062e+02
-FORCES -5.1920000000e-03 -2.6287000000e-03  1.3062100000e-02  1.3533000000e-03  5.1068000000e-03 -8.6238000000e-03 -2.3769000000e-03 -2.4079000000e-03  3.0676000000e-03  3.8742000000e-03 -4.5751000000e-03 -6.4821000000e-03 -2.8412000000e-03  4.3435000000e-03  1.1303000000e-03  5.1826000000e-03  1.6130000000e-04 -2.1541000000e-03
-
-JOB 360
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6864700000e-01 -1.8382100000e-01 -8.6402600000e-01  9.4726700000e-01 -5.2489000000e-02 -1.2713000000e-01  1.3053260000e+00  8.1062200000e-01 -3.9961670000e+00  1.8936160000e+00  9.7179900000e-01 -4.7338450000e+00  1.6464600000e+00  1.3622330000e+00 -3.2921900000e+00
-ENERGY -1.526552943454e+02
-FORCES  1.8976000000e-03 -1.8989000000e-03 -4.5068000000e-03  1.4769000000e-03  1.1096000000e-03  4.4590000000e-03 -3.5394000000e-03  9.6260000000e-04  6.7430000000e-04  3.9791000000e-03  3.5502000000e-03 -1.3996000000e-03 -2.3607000000e-03 -5.6920000000e-04  3.2064000000e-03 -1.4535000000e-03 -3.1543000000e-03 -2.4334000000e-03
-
-JOB 361
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1626200000e-01 -7.2237900000e-01  1.2092200000e-01 -5.3574900000e-01  7.8889700000e-01  8.2737000000e-02 -1.2836210000e+00  2.1664380000e+00  5.5228200000e-01 -8.8930200000e-01  2.4062140000e+00  1.3908830000e+00 -2.1639610000e+00  1.8660950000e+00  7.7817500000e-01
-ENERGY -1.526561961058e+02
-FORCES -1.2240800000e-02  1.9094800000e-02  3.6026000000e-03 -1.6410000000e-04  4.0491000000e-03  5.0130000000e-04  2.9668000000e-03 -9.6514000000e-03 -1.8740000000e-04  6.2367000000e-03 -1.0349300000e-02  2.1732000000e-03 -3.2622000000e-03 -2.0222000000e-03 -4.7173000000e-03  6.4636000000e-03 -1.1209000000e-03 -1.3723000000e-03
-
-JOB 362
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5699500000e-01  3.9286900000e-01  6.7204400000e-01 -8.3710600000e-01 -1.4959900000e-01  4.3943700000e-01  1.3973700000e+00  1.1861620000e+00  2.0685920000e+00  1.0806650000e+00  7.6240100000e-01  2.8663110000e+00  1.0688570000e+00  2.0833370000e+00  2.1267950000e+00
-ENERGY -1.526598472001e+02
-FORCES  6.3493000000e-03  5.8140000000e-03  1.2044500000e-02 -6.4984000000e-03 -4.1272000000e-03 -7.4734000000e-03  2.6610000000e-03  8.0800000000e-04 -2.7960000000e-04 -3.3719000000e-03  7.7110000000e-04  1.0507000000e-03  1.5150000000e-04  2.4743000000e-03 -5.1772000000e-03  7.0850000000e-04 -5.7401000000e-03 -1.6500000000e-04
-
-JOB 363
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2366900000e-01  3.3677000000e-01 -3.5268400000e-01 -8.7364000000e-02  4.2506200000e-01  8.5318300000e-01  7.6039900000e-01 -2.5608350000e+00  1.0599980000e+00  1.4684430000e+00 -2.1820320000e+00  1.5809720000e+00  2.1239200000e-01 -1.8134840000e+00  8.2044400000e-01
-ENERGY -1.526579165033e+02
-FORCES  5.1369000000e-03  2.4868000000e-03 -5.3880000000e-04 -4.1584000000e-03 -7.8370000000e-04  2.7647000000e-03  1.5776000000e-03 -5.4650000000e-03 -3.3798000000e-03 -1.6286000000e-03  1.1095500000e-02 -3.8639000000e-03 -2.0366000000e-03 -6.6650000000e-04 -1.5317000000e-03  1.1090000000e-03 -6.6671000000e-03  6.5496000000e-03
-
-JOB 364
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8490900000e-01  8.1124500000e-01 -3.3159900000e-01  7.0326800000e-01  2.8833200000e-01  5.8181600000e-01  1.3134390000e+00 -2.5083350000e+00 -3.2794600000e-01  2.1815680000e+00 -2.1384550000e+00 -4.8848400000e-01  7.2056700000e-01 -1.7583240000e+00 -3.7503300000e-01
-ENERGY -1.526599012412e+02
-FORCES  6.3480000000e-04  2.6452000000e-03  4.9090000000e-04  2.7136000000e-03 -2.8411000000e-03  2.7589000000e-03 -2.8327000000e-03 -1.7199000000e-03 -4.4093000000e-03 -3.6576000000e-03  9.3113000000e-03 -1.8100000000e-03 -2.4830000000e-03 -5.5260000000e-04  1.4758000000e-03  5.6249000000e-03 -6.8429000000e-03  1.4938000000e-03
-
-JOB 365
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6676400000e-01 -5.3666600000e-01 -7.4636400000e-01 -8.2170600000e-01  4.0517300000e-01 -2.7724900000e-01  2.3278850000e+00 -8.1418100000e-01 -1.6659310000e+00  2.6860300000e+00 -1.1833650000e+00 -2.4731900000e+00  2.4622970000e+00  1.2949800000e-01 -1.7533090000e+00
-ENERGY -1.526591934497e+02
-FORCES  7.7240000000e-04 -3.4681000000e-03 -4.6928000000e-03 -6.1099000000e-03  4.5560000000e-03  4.3579000000e-03  3.6957000000e-03 -1.4270000000e-03  2.0060000000e-04  4.4737000000e-03  3.3005000000e-03 -2.1687000000e-03 -1.9012000000e-03  2.1620000000e-03  3.5605000000e-03 -9.3070000000e-04 -5.1233000000e-03 -1.2575000000e-03
-
-JOB 366
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6482800000e-01 -7.2451400000e-01 -4.1862300000e-01  2.0579800000e-01  7.6198900000e-01 -5.4152700000e-01  1.1441260000e+00 -7.1113600000e-01  2.4202040000e+00  4.3254300000e-01 -1.3200830000e+00  2.2225530000e+00  1.0812090000e+00 -3.9848000000e-02  1.7407590000e+00
-ENERGY -1.526576549201e+02
-FORCES  2.3643000000e-03 -2.4351000000e-03 -1.6243000000e-03 -2.3308000000e-03  3.8737000000e-03  3.2894000000e-03  5.4180000000e-04 -3.8732000000e-03  4.0241000000e-03 -9.5491000000e-03  3.8496000000e-03 -1.1199600000e-02  3.1040000000e-03 -1.0544000000e-03  1.2545000000e-03  5.8697000000e-03 -3.6050000000e-04  4.2561000000e-03
-
-JOB 367
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4052100000e-01  4.0867700000e-01 -7.9577700000e-01 -1.8190000000e-03  7.0246900000e-01  6.5020500000e-01 -1.0763910000e+00  1.4770450000e+00 -2.0819650000e+00 -1.9597720000e+00  1.5330730000e+00 -1.7176420000e+00 -1.0466440000e+00  6.2073600000e-01 -2.5086770000e+00
-ENERGY -1.526564394653e+02
-FORCES -3.8111000000e-03  1.2909400000e-02 -8.6221000000e-03 -5.4890000000e-04 -1.0100600000e-02  6.9370000000e-04 -6.1970000000e-04 -2.4383000000e-03 -1.1131000000e-03 -3.6713000000e-03 -2.9587000000e-03  8.4010000000e-04  6.1244000000e-03 -1.0467000000e-03 -5.9360000000e-04  2.5267000000e-03  3.6349000000e-03  8.7949000000e-03
-
-JOB 368
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4359700000e-01  9.1427900000e-01 -1.4486900000e-01  8.3484000000e-01 -4.5898400000e-01  9.2782000000e-02 -2.1321500000e+00 -8.0331700000e-01 -1.4348650000e+00 -2.9535270000e+00 -3.4299900000e-01 -1.2625900000e+00 -1.4807890000e+00 -3.3575200000e-01 -9.1204200000e-01
-ENERGY -1.526592147627e+02
-FORCES -2.8030000000e-04 -4.3102000000e-03 -4.1108000000e-03 -2.3799000000e-03 -5.0569000000e-03  2.2800000000e-05 -2.7356000000e-03  4.3187000000e-03  3.4950000000e-04  1.0007400000e-02  3.4600000000e-03  8.3466000000e-03  4.0037000000e-03  5.6200000000e-05  5.3600000000e-04 -8.6153000000e-03  1.5322000000e-03 -5.1442000000e-03
-
-JOB 369
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2374000000e-01  3.5092400000e-01 -7.2026400000e-01 -6.3515200000e-01 -1.7985100000e-01  6.9315800000e-01  1.8994830000e+00  1.8377560000e+00 -2.1891000000e-02  2.0186010000e+00  2.3681330000e+00  7.6598200000e-01  1.2493510000e+00  1.1808130000e+00  2.2707600000e-01
-ENERGY -1.526594869521e+02
-FORCES  1.4644000000e-03  5.9558000000e-03 -2.0862000000e-03  2.1547000000e-03 -2.0655000000e-03  5.1507000000e-03  3.2748000000e-03  2.2014000000e-03 -3.6411000000e-03 -1.0992800000e-02 -1.1638000000e-02  2.3131000000e-03 -2.2053000000e-03 -3.0132000000e-03 -1.4817000000e-03  6.3043000000e-03  8.5595000000e-03 -2.5480000000e-04
-
-JOB 370
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0708300000e-01  1.5688700000e-01  4.9013700000e-01 -2.9466600000e-01 -3.3767800000e-01 -8.4580000000e-01  2.3206790000e+00 -3.4864600000e-01  1.7652940000e+00  1.5088260000e+00 -2.9925000000e-02  1.3709030000e+00  2.9995120000e+00 -1.3047300000e-01  1.1266880000e+00
-ENERGY -1.526595967512e+02
-FORCES -2.2686000000e-03 -2.9156000000e-03 -2.5147000000e-03  4.6288000000e-03 -8.5700000000e-04 -1.9250000000e-03 -1.5340000000e-04  2.1231000000e-03  3.7161000000e-03 -5.1988000000e-03  1.8718000000e-03 -8.8515000000e-03  4.2745000000e-03  7.4760000000e-04  7.3803000000e-03 -1.2824000000e-03 -9.7000000000e-04  2.1948000000e-03
-
-JOB 371
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7120900000e-01 -2.7062000000e-01 -8.7717900000e-01 -3.6189600000e-01 -7.9336900000e-01  3.9475200000e-01 -1.1548090000e+00  5.0174000000e-02  2.9320640000e+00 -1.8034550000e+00 -4.6025200000e-01  2.4473430000e+00 -5.0358400000e-01 -5.9311400000e-01  3.2119200000e+00
-ENERGY -1.526514059724e+02
-FORCES -5.7910000000e-04 -3.7468000000e-03 -7.3770000000e-04 -1.2690000000e-03  1.4485000000e-03  4.3887000000e-03  6.8230000000e-04  1.8294000000e-03 -1.7972000000e-03  4.1760000000e-04 -2.6166000000e-03 -8.4750000000e-04  3.9543000000e-03  9.9550000000e-04  1.0293000000e-03 -3.2060000000e-03  2.0899000000e-03 -2.0356000000e-03
-
-JOB 372
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4160300000e-01  7.7531700000e-01 -4.4544600000e-01 -9.3894500000e-01  1.6584800000e-01  8.4308000000e-02 -2.5925820000e+00  8.7262300000e-01  2.4622900000e-01 -3.1263090000e+00  3.8427500000e-01 -3.8057500000e-01 -3.0268390000e+00  1.7224180000e+00  3.2040500000e-01
-ENERGY -1.526592429144e+02
-FORCES -1.2046900000e-02  8.1857000000e-03  8.8490000000e-04 -3.8060000000e-04 -1.9630000000e-03  1.0450000000e-03  5.1583000000e-03 -6.3945000000e-03 -2.7330000000e-03  2.5869000000e-03  1.9233000000e-03 -7.6480000000e-04  4.1209000000e-03  2.8147000000e-03  3.0759000000e-03  5.6140000000e-04 -4.5662000000e-03 -1.5080000000e-03
-
-JOB 373
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9710000000e-01 -9.2013500000e-01  1.7531200000e-01  8.5205600000e-01  3.9831400000e-01 -1.7770500000e-01  6.7155800000e-01 -2.5166790000e+00  2.7107400000e-01  2.7137500000e-01 -3.1243690000e+00 -3.5085700000e-01  7.1448800000e-01 -3.0070820000e+00  1.0919840000e+00
-ENERGY -1.526594715477e+02
-FORCES  7.0548000000e-03 -1.7834300000e-02  1.9763000000e-03 -2.6472000000e-03  7.7086000000e-03 -1.1140000000e-03 -1.8122000000e-03 -1.6105000000e-03  6.0810000000e-04 -4.2785000000e-03  7.6970000000e-03 -8.6820000000e-04  2.2578000000e-03  2.3577000000e-03  4.5282000000e-03 -5.7470000000e-04  1.6815000000e-03 -5.1305000000e-03
-
-JOB 374
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5622400000e-01 -2.4036900000e-01  7.4099200000e-01 -6.7662000000e-02 -8.0132700000e-01 -5.1916200000e-01  1.9871430000e+00  2.3238310000e+00  1.0122030000e+00  2.5911300000e+00  2.7776930000e+00  1.5999460000e+00  1.3142470000e+00  2.9740960000e+00  8.1071100000e-01
-ENERGY -1.526558676524e+02
-FORCES  4.0628000000e-03 -2.9517000000e-03  1.7162000000e-03 -4.2027000000e-03 -1.6092000000e-03 -3.0457000000e-03  4.3890000000e-04  3.1773000000e-03  2.0440000000e-03 -1.5629000000e-03  5.4301000000e-03 -3.5700000000e-05 -2.5848000000e-03 -2.4043000000e-03 -2.4620000000e-03  3.8486000000e-03 -1.6422000000e-03  1.7832000000e-03
-
-JOB 375
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5969300000e-01  8.0572000000e-01  2.3607200000e-01 -6.1893300000e-01 -4.7600100000e-01 -5.5369400000e-01  1.1171060000e+00 -6.1152600000e-01  2.2240790000e+00  1.4780380000e+00  7.7843000000e-02  2.7815110000e+00  7.3577400000e-01 -1.4413100000e-01  1.4808700000e+00
-ENERGY -1.526536269262e+02
-FORCES  1.7718000000e-03 -7.4703000000e-03  9.8053000000e-03  5.0207000000e-03 -5.6710000000e-03  2.6977000000e-03  2.1800000000e-03  4.5746000000e-03  1.6278000000e-03 -6.7628000000e-03  1.9592000000e-03 -1.6597700000e-02 -3.1398000000e-03 -8.5300000000e-05 -4.6403000000e-03  9.3010000000e-04  6.6928000000e-03  7.1072000000e-03
-
-JOB 376
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5850000000e-03  9.1748700000e-01  2.7277300000e-01  9.1558400000e-01 -2.7353800000e-01  5.5807000000e-02 -8.3811500000e-01  2.8158920000e+00  2.4632100000e-01 -1.3988100000e+00  2.8343820000e+00 -5.2925100000e-01 -1.4331700000e+00  2.9851110000e+00  9.7673600000e-01
-ENERGY -1.526617634283e+02
-FORCES  1.0229000000e-03  7.6355000000e-03  1.5508000000e-03  2.9560000000e-03 -1.0313100000e-02 -7.1040000000e-04 -3.0051000000e-03  1.9415000000e-03  6.3800000000e-05 -6.0858000000e-03  1.0423000000e-03 -1.5911000000e-03  2.3780000000e-03  6.6680000000e-04  4.3256000000e-03  2.7339000000e-03 -9.7310000000e-04 -3.6387000000e-03
-
-JOB 377
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1153600000e-01  6.2947000000e-01  1.1711500000e-01  2.3749700000e-01 -2.6196800000e-01  8.8949400000e-01 -1.4536000000e+00  1.3765240000e+00 -3.1835690000e+00 -9.8682500000e-01  5.4258200000e-01 -3.1297790000e+00 -2.3738110000e+00  1.1307830000e+00 -3.2787300000e+00
-ENERGY -1.526562870875e+02
-FORCES -1.6055000000e-03  2.4272000000e-03  4.3743000000e-03  2.9007000000e-03 -3.7276000000e-03  4.3990000000e-04 -1.1430000000e-03  1.1745000000e-03 -3.5605000000e-03 -7.4160000000e-04 -5.0742000000e-03 -8.5910000000e-04 -3.0042000000e-03  4.0196000000e-03 -1.2423000000e-03  3.5936000000e-03  1.1805000000e-03  8.4760000000e-04
-
-JOB 378
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8565000000e-01  1.0911000000e-01  9.3266300000e-01  8.3776900000e-01 -4.6230500000e-01 -2.5456000000e-02  2.5348950000e+00 -1.0230200000e+00 -4.6097500000e-01  2.1751200000e+00 -1.2322920000e+00 -1.3229490000e+00  2.7696350000e+00 -9.6763000000e-02 -5.1733200000e-01
-ENERGY -1.526595607780e+02
-FORCES  1.1091900000e-02 -6.8531000000e-03  2.3786000000e-03  1.8912000000e-03 -3.2710000000e-04 -2.8378000000e-03 -8.0482000000e-03  6.4206000000e-03 -3.2295000000e-03 -1.4240000000e-04  3.8554000000e-03 -5.0471000000e-03 -6.5560000000e-04  2.2844000000e-03  7.0333000000e-03 -4.1368000000e-03 -5.3802000000e-03  1.7025000000e-03
-
-JOB 379
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2028000000e-01  5.1144000000e-01 -8.0012100000e-01 -3.2677000000e-01 -8.4698900000e-01 -3.0341900000e-01  8.9193800000e-01  2.1322560000e+00 -1.7385650000e+00  7.1127200000e-01  3.0367280000e+00 -1.4825910000e+00  9.8868700000e-01  2.1669340000e+00 -2.6902310000e+00
-ENERGY -1.526603527898e+02
-FORCES  1.9744000000e-03  4.3544000000e-03 -6.3144000000e-03 -3.8712000000e-03 -8.3442000000e-03  4.8883000000e-03  1.4015000000e-03  3.3949000000e-03 -2.3820000000e-04  1.3980000000e-04  4.6780000000e-03 -2.6250000000e-04  1.3300000000e-03 -3.7331000000e-03 -2.6760000000e-03 -9.7450000000e-04 -3.5000000000e-04  4.6028000000e-03
-
-JOB 380
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0852500000e-01 -5.3165500000e-01  5.1310000000e-01  6.7687100000e-01 -6.1512300000e-01 -2.8231400000e-01 -2.2079540000e+00 -7.2311700000e-01  1.1345340000e+00 -2.7771530000e+00 -4.9507000000e-01  3.9952400000e-01 -2.2445460000e+00 -1.6785850000e+00  1.1789580000e+00
-ENERGY -1.526561036174e+02
-FORCES -1.4829300000e-02 -4.5752000000e-03  9.5126000000e-03  8.9113000000e-03 -2.1204000000e-03 -5.7295000000e-03 -4.9495000000e-03 -3.4860000000e-04  2.4626000000e-03  3.7175000000e-03  3.9290000000e-03 -8.3939000000e-03  2.7260000000e-03 -2.7384000000e-03  4.4599000000e-03  4.4241000000e-03  5.8536000000e-03 -2.3117000000e-03
-
-JOB 381
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7613800000e-01  5.0384600000e-01  7.9457300000e-01 -1.4093700000e-01  6.6150700000e-01 -6.7733100000e-01  1.6569400000e-01  9.3944100000e-01  2.8991960000e+00  7.8040400000e-01  8.1567100000e-01  3.6224150000e+00 -6.4486100000e-01  5.2882600000e-01  3.2002380000e+00
-ENERGY -1.526614299650e+02
-FORCES  1.4089000000e-03  5.0278000000e-03  4.5382000000e-03 -2.2700000000e-03 -3.0208000000e-03 -9.3629000000e-03  4.4700000000e-04 -1.9405000000e-03  2.7442000000e-03 -2.1830000000e-04 -2.8389000000e-03  5.4736000000e-03 -3.5704000000e-03  5.4320000000e-04 -2.3025000000e-03  4.2028000000e-03  2.2293000000e-03 -1.0907000000e-03
-
-JOB 382
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6959300000e-01  5.6826700000e-01 -3.2119000000e-02  2.9723400000e-01 -8.2808900000e-01 -3.7703100000e-01 -9.2780000000e-01 -4.5056800000e-01  2.8444350000e+00 -6.1482200000e-01 -7.5480900000e-01  1.9925470000e+00 -1.2285830000e+00  4.4389700000e-01  2.6841370000e+00
-ENERGY -1.526591215694e+02
-FORCES  4.9978000000e-03  9.2630000000e-04 -2.6099000000e-03 -3.8138000000e-03 -2.7889000000e-03 -2.1900000000e-04 -1.6575000000e-03  3.5842000000e-03  3.8065000000e-03  1.1624000000e-03  4.4223000000e-03 -1.0121500000e-02 -1.2233000000e-03 -4.1089000000e-03  6.4031000000e-03  5.3440000000e-04 -2.0351000000e-03  2.7409000000e-03
-
-JOB 383
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6509600000e-01  5.9697800000e-01  7.2979000000e-01  8.3599700000e-01 -4.9273000000e-02 -4.6358600000e-01  2.6962710000e+00  4.3226900000e-01 -7.4012100000e-01  3.0422420000e+00  9.8083500000e-01 -3.6124000000e-02  3.2848450000e+00  5.8973800000e-01 -1.4783730000e+00
-ENERGY -1.526593819477e+02
-FORCES  1.1515700000e-02  3.2507000000e-03 -2.0288000000e-03 -4.1620000000e-04 -1.4292000000e-03 -1.3555000000e-03 -7.7860000000e-03 -1.8135000000e-03  2.2511000000e-03  5.6310000000e-04  2.3742000000e-03  4.5100000000e-04 -1.8315000000e-03 -2.2734000000e-03 -3.5616000000e-03 -2.0451000000e-03 -1.0890000000e-04  4.2438000000e-03
-
-JOB 384
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0343000000e-02 -5.5254300000e-01 -7.7928600000e-01  6.6134800000e-01 -3.5215700000e-01  5.9568100000e-01 -2.0587090000e+00  2.9808040000e+00 -4.7695300000e-01 -2.0422500000e+00  2.8826560000e+00 -1.4289660000e+00 -1.1469520000e+00  2.8679540000e+00 -2.0826100000e-01
-ENERGY -1.526554869771e+02
-FORCES  2.4198000000e-03 -5.1884000000e-03 -3.9660000000e-04  2.2000000000e-06  2.5885000000e-03  3.1425000000e-03 -2.7692000000e-03  1.7194000000e-03 -2.6486000000e-03  4.8971000000e-03 -3.2122000000e-03 -1.9826000000e-03 -4.5840000000e-04  7.7610000000e-04  3.1691000000e-03 -4.0915000000e-03  3.3167000000e-03 -1.2839000000e-03
-
-JOB 385
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9971300000e-01  4.3983200000e-01  6.0259800000e-01  5.7084100000e-01 -4.1244500000e-01 -6.4827600000e-01  1.6790250000e+00 -1.2957390000e+00 -1.7497470000e+00  1.9428140000e+00 -1.9375950000e+00 -1.0904540000e+00  1.1851770000e+00 -1.8027460000e+00 -2.3941780000e+00
-ENERGY -1.526602127770e+02
-FORCES  1.0544900000e-02 -3.9169000000e-03 -9.8068000000e-03 -8.5820000000e-04 -2.4564000000e-03 -1.9198000000e-03 -6.3184000000e-03  1.8386000000e-03  8.9261000000e-03 -2.7127000000e-03 -3.1142000000e-03  9.2920000000e-04 -3.1410000000e-03  5.1955000000e-03 -2.5368000000e-03  2.4854000000e-03  2.4534000000e-03  4.4081000000e-03
-
-JOB 386
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2049200000e-01  8.9295200000e-01  2.6504900000e-01  8.4547200000e-01 -4.4041600000e-01 -8.6269000000e-02  7.1744000000e-02  2.4533580000e+00  5.8073000000e-01  6.9710100000e-01  3.1147640000e+00  8.7687700000e-01 -7.4507500000e-01  2.6790560000e+00  1.0258130000e+00
-ENERGY -1.526564210964e+02
-FORCES  2.1912000000e-03  2.1396200000e-02  4.7319000000e-03 -1.2125000000e-03 -6.9875000000e-03 -1.0469000000e-03 -1.1155000000e-03  3.9192000000e-03  8.9500000000e-04 -1.3200000000e-03 -1.5656800000e-02 -1.8629000000e-03 -4.1687000000e-03 -3.0408000000e-03 -8.9690000000e-04  5.6254000000e-03  3.6970000000e-04 -1.8202000000e-03
-
-JOB 387
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9358500000e-01 -4.9058000000e-01 -2.1397700000e-01 -4.1571300000e-01  1.6490700000e-01 -8.4629800000e-01 -1.6975550000e+00 -2.4833510000e+00 -2.2552470000e+00 -2.0564990000e+00 -3.1177700000e+00 -1.6348420000e+00 -7.5204900000e-01 -2.6301130000e+00 -2.2285560000e+00
-ENERGY -1.526548801823e+02
-FORCES  2.0300000000e-04 -1.0290000000e-03 -4.8968000000e-03 -3.1917000000e-03  1.2485000000e-03  6.9110000000e-04  3.2598000000e-03  1.6240000000e-04  3.9960000000e-03  1.5620000000e-03 -4.1817000000e-03  3.6911000000e-03  1.5246000000e-03  2.1948000000e-03 -3.1834000000e-03 -3.3578000000e-03  1.6050000000e-03 -2.9810000000e-04
-
-JOB 388
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4487300000e-01  1.9370600000e-01  5.6909900000e-01 -1.8924700000e-01  4.7085300000e-01 -8.1161300000e-01 -1.1266670000e+00  1.3372090000e+00 -2.0349550000e+00 -6.4767100000e-01  2.1517500000e+00 -1.8822530000e+00 -2.0443250000e+00  1.5676310000e+00 -1.8898960000e+00
-ENERGY -1.526564102648e+02
-FORCES -1.1292400000e-02  7.7316000000e-03 -1.2732100000e-02  1.7158000000e-03 -2.4600000000e-04 -8.5930000000e-04  7.6791000000e-03  1.0458000000e-03  5.0237000000e-03 -1.4545000000e-03 -1.3757000000e-03  6.8196000000e-03 -1.7184000000e-03 -7.0964000000e-03  2.0933000000e-03  5.0704000000e-03 -5.9300000000e-05 -3.4520000000e-04
-
-JOB 389
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9177000000e-01 -4.4278500000e-01 -6.9161800000e-01  2.2808500000e-01 -4.7556000000e-01  7.9878200000e-01 -1.7785870000e+00  2.9369770000e+00 -1.7848650000e+00 -1.9965550000e+00  3.7432370000e+00 -2.2524830000e+00 -1.4175460000e+00  2.3595440000e+00 -2.4575100000e+00
-ENERGY -1.526527832980e+02
-FORCES  2.8513000000e-03 -3.5760000000e-03  1.2817000000e-03 -2.3107000000e-03  2.1501000000e-03  2.3175000000e-03 -8.7560000000e-04  1.9125000000e-03 -3.3764000000e-03  1.0613000000e-03  3.4200000000e-05 -4.2594000000e-03  8.9230000000e-04 -3.2923000000e-03  2.1611000000e-03 -1.6186000000e-03  2.7716000000e-03  1.8755000000e-03
-
-JOB 390
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1291600000e-01  1.2493800000e-01  7.2453800000e-01  6.4777300000e-01 -6.1858900000e-01  3.3759500000e-01 -2.3363110000e+00 -2.6271060000e+00  5.9887000000e-01 -2.6348310000e+00 -3.5251520000e+00  7.4250900000e-01 -1.3948980000e+00 -2.7086720000e+00  4.4616200000e-01
-ENERGY -1.526548514769e+02
-FORCES -7.2840000000e-04 -1.4750000000e-04  4.6254000000e-03  3.9927000000e-03 -4.0200000000e-04 -3.1443000000e-03 -3.4308000000e-03  1.1858000000e-03 -1.7939000000e-03  2.2521000000e-03 -4.1938000000e-03 -1.4981000000e-03  1.4982000000e-03  3.8074000000e-03 -6.9230000000e-04 -3.5837000000e-03 -2.5000000000e-04  2.5032000000e-03
-
-JOB 391
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5033000000e-02 -4.8557000000e-01  8.2147600000e-01 -8.8287300000e-01 -1.9497600000e-01 -3.1424700000e-01  2.0566340000e+00 -1.1896240000e+00 -1.7349690000e+00  1.3876290000e+00 -1.0081770000e+00 -1.0748620000e+00  1.9406870000e+00 -5.0109600000e-01 -2.3897350000e+00
-ENERGY -1.526603600908e+02
-FORCES -4.4193000000e-03 -5.5560000000e-04  2.7251000000e-03  3.5550000000e-04  1.2764000000e-03 -5.8763000000e-03  5.0325000000e-03  5.9880000000e-04  1.4353000000e-03 -7.7509000000e-03  7.9057000000e-03  4.2261000000e-03  6.0920000000e-03 -6.6095000000e-03 -3.3431000000e-03  6.9010000000e-04 -2.6159000000e-03  8.3290000000e-04
-
-JOB 392
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9575000000e-01  3.4242500000e-01 -8.7215800000e-01 -9.4810100000e-01  9.7239000000e-02  8.8770000000e-02 -1.4472820000e+00  2.2566920000e+00 -1.8248470000e+00 -1.8367440000e+00  2.1466290000e+00 -2.6922780000e+00 -5.0957600000e-01  2.1243790000e+00 -1.9642490000e+00
-ENERGY -1.526543421362e+02
-FORCES -6.2703000000e-03  3.3169000000e-03 -3.5864000000e-03  1.5745000000e-03  6.8840000000e-04  1.3408000000e-03  4.4483000000e-03 -2.6161000000e-03  1.2681000000e-03  1.9941000000e-03  1.6060000000e-03 -4.8510000000e-03  2.0075000000e-03  8.7000000000e-06  4.3395000000e-03 -3.7541000000e-03 -3.0040000000e-03  1.4890000000e-03
-
-JOB 393
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7305600000e-01  7.0961500000e-01  2.9032100000e-01  1.2773400000e-01 -3.9090000000e-02 -9.4783300000e-01  1.7781230000e+00 -2.1269910000e+00 -1.0044700000e-01  1.8318620000e+00 -3.0825450000e+00 -8.4279000000e-02  8.5057600000e-01 -1.9412280000e+00 -2.4666800000e-01
-ENERGY -1.526562946735e+02
-FORCES  8.5356000000e-03  2.1778000000e-03 -1.8640000000e-04 -3.8495000000e-03 -1.4063000000e-03 -1.8629000000e-03 -7.3850000000e-04 -3.6416000000e-03  4.9380000000e-03 -6.5080000000e-03  3.0010000000e-03  2.1919000000e-03 -1.8415000000e-03  4.4011000000e-03  1.7200000000e-04  4.4020000000e-03 -4.5320000000e-03 -5.2527000000e-03
-
-JOB 394
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5362000000e-01 -6.5379000000e-02  5.0656000000e-02 -1.5962700000e-01  8.1015600000e-01 -4.8414800000e-01 -3.1243700000e-01 -2.8065350000e+00  1.7897180000e+00  4.6097000000e-01 -2.4059870000e+00  2.1867500000e+00 -3.2955200000e-01 -3.6963280000e+00  2.1421480000e+00
-ENERGY -1.526520285142e+02
-FORCES  2.9322000000e-03  2.6562000000e-03 -2.4153000000e-03 -3.7648000000e-03  2.4200000000e-04  7.6290000000e-04  4.6050000000e-04 -3.6684000000e-03  2.0571000000e-03  2.9401000000e-03 -9.5150000000e-04  3.0970000000e-03 -2.3545000000e-03 -2.1816000000e-03 -1.6989000000e-03 -2.1360000000e-04  3.9033000000e-03 -1.8028000000e-03
-
-JOB 395
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4172500000e-01  8.9098500000e-01  2.5287500000e-01 -4.9860000000e-02  2.6897000000e-02 -9.5552200000e-01 -1.4374900000e-01  2.4946560000e+00 -1.4470100000e+00  6.2538700000e-01  2.7722750000e+00 -9.4942700000e-01 -7.0402900000e-01  3.2702300000e+00 -1.4753420000e+00
-ENERGY -1.526552097208e+02
-FORCES -2.6352000000e-03  9.4857000000e-03 -7.4737000000e-03  3.1006000000e-03 -1.3339000000e-03  2.2506000000e-03  1.3640000000e-03 -4.0620000000e-03  3.1765000000e-03 -3.9070000000e-04  3.4116000000e-03  1.5726000000e-03 -4.4570000000e-03 -4.0128000000e-03  9.0000000000e-07  3.0183000000e-03 -3.4885000000e-03  4.7310000000e-04
-
-JOB 396
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2567200000e-01 -1.9737200000e-01 -1.4285600000e-01 -9.7380000000e-03  9.1508900000e-01  2.8062300000e-01  9.9864600000e-01 -1.1074750000e+00 -3.3160780000e+00  1.8998640000e+00 -1.4180640000e+00 -3.4031000000e+00  6.8163400000e-01 -1.5137270000e+00 -2.5094210000e+00
-ENERGY -1.526547990363e+02
-FORCES  3.4757000000e-03  5.0462000000e-03  2.2870000000e-04 -4.0677000000e-03 -8.7600000000e-04  3.6210000000e-04  1.6690000000e-04 -3.8893000000e-03 -4.8470000000e-04  4.6450000000e-04 -3.2435000000e-03  2.5292000000e-03 -3.5866000000e-03  1.7654000000e-03  1.0863000000e-03  3.5472000000e-03  1.1973000000e-03 -3.7216000000e-03
-
-JOB 397
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2185600000e-01  3.3967900000e-01 -6.4354100000e-01 -1.1058400000e-01  5.6710600000e-01  7.6314800000e-01 -1.3754190000e+00 -2.2986610000e+00  6.7513900000e-01 -1.0697740000e+00 -1.4076960000e+00  5.0486100000e-01 -1.9562990000e+00 -2.4975620000e+00 -5.9197000000e-02
-ENERGY -1.526573224025e+02
-FORCES -6.5040000000e-04  2.2023000000e-03  8.1300000000e-05  1.3564000000e-03 -4.8570000000e-03  5.1058000000e-03 -1.2532000000e-03 -5.1512000000e-03 -4.2871000000e-03  7.4538000000e-03  1.0719100000e-02 -5.5211000000e-03 -9.0994000000e-03 -5.1843000000e-03  2.9619000000e-03  2.1928000000e-03  2.2711000000e-03  1.6592000000e-03
-
-JOB 398
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5609100000e-01 -9.2861900000e-01 -1.7185800000e-01  5.9685600000e-01  8.5660000000e-03  7.4827900000e-01  1.8806460000e+00  8.1270700000e-01  1.7119250000e+00  2.6496180000e+00  1.0730360000e+00  1.2048340000e+00  1.7913260000e+00  1.4934030000e+00  2.3789380000e+00
-ENERGY -1.526600618438e+02
-FORCES  8.5336000000e-03  3.1086000000e-03  9.3349000000e-03  2.3731000000e-03  2.9403000000e-03  1.9984000000e-03 -6.0247000000e-03 -4.9721000000e-03 -6.1745000000e-03 -3.7098000000e-03  2.1860000000e-03 -5.5245000000e-03 -3.0381000000e-03 -6.8280000000e-04  3.7811000000e-03  1.8660000000e-03 -2.5800000000e-03 -3.4154000000e-03
-
-JOB 399
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4154400000e-01  3.3803100000e-01  7.1323000000e-01 -4.9385200000e-01 -7.1922700000e-01  3.9377000000e-01  1.2231730000e+00  1.6669010000e+00 -1.8272240000e+00  5.9188800000e-01  1.2489730000e+00 -1.2415220000e+00  1.3346430000e+00  1.0429500000e+00 -2.5445050000e+00
-ENERGY -1.526594695133e+02
-FORCES  1.4425000000e-03  3.7620000000e-04  2.4600000000e-05 -3.8847000000e-03 -1.1904000000e-03 -4.4077000000e-03  3.7074000000e-03  2.9162000000e-03 -4.1230000000e-04 -6.2536000000e-03 -1.0298400000e-02  3.6180000000e-03  4.9568000000e-03  5.9751000000e-03 -9.2500000000e-05  3.1600000000e-05  2.2213000000e-03  1.2699000000e-03
-
-JOB 400
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8208000000e-02 -9.5541000000e-01  5.9890000000e-03  9.2138200000e-01  1.8315000000e-01 -1.8369300000e-01 -7.1484500000e-01 -2.6400920000e+00  3.9751400000e-01 -2.4008300000e-01 -3.2035430000e+00  1.0085430000e+00 -1.6278480000e+00 -2.9167060000e+00  4.7588000000e-01
-ENERGY -1.526605384189e+02
-FORCES -1.7197000000e-03 -1.0964200000e-02  7.9600000000e-04  4.5757000000e-03  8.9485000000e-03 -1.9172000000e-03 -2.6429000000e-03 -2.3649000000e-03  1.1528000000e-03 -2.4076000000e-03  2.5762000000e-03  2.3623000000e-03 -2.5706000000e-03  2.3903000000e-03 -2.9912000000e-03  4.7650000000e-03 -5.8590000000e-04  5.9720000000e-04
-
-JOB 401
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3328500000e-01  8.5257700000e-01  4.0109000000e-02 -6.5215200000e-01 -6.1652600000e-01  3.3290400000e-01  1.4823810000e+00  1.2842240000e+00 -2.7691950000e+00  1.8299270000e+00  1.6373130000e+00 -3.5882010000e+00  1.0273180000e+00  4.8267000000e-01 -3.0273860000e+00
-ENERGY -1.526549371641e+02
-FORCES -3.8250000000e-03  2.6123000000e-03  2.2491000000e-03  8.2720000000e-04 -4.3508000000e-03  5.9710000000e-04  2.8697000000e-03  2.4071000000e-03 -1.9360000000e-03 -3.9720000000e-04 -3.3760000000e-03 -3.4797000000e-03 -1.5169000000e-03 -1.4503000000e-03  3.5671000000e-03  2.0422000000e-03  4.1576000000e-03 -9.9760000000e-04
-
-JOB 402
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2831300000e-01  4.7965300000e-01  7.9660000000e-03 -2.5473000000e-01 -9.1713800000e-01 -1.0100700000e-01 -1.3122150000e+00 -6.3335500000e-01 -3.3714350000e+00 -1.5764730000e+00 -1.5221360000e+00 -3.1338060000e+00 -1.6449730000e+00 -8.5823000000e-02 -2.6603000000e+00
-ENERGY -1.526523863000e+02
-FORCES -3.1121000000e-03 -2.0684000000e-03 -4.1000000000e-05  2.9873000000e-03 -2.3706000000e-03 -1.4194000000e-03  2.1890000000e-04  4.0169000000e-03  4.6380000000e-04 -1.3722000000e-03 -7.4100000000e-04  3.7924000000e-03  1.2098000000e-03  3.7208000000e-03 -3.3730000000e-04  6.8200000000e-05 -2.5577000000e-03 -2.4585000000e-03
-
-JOB 403
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9263800000e-01  8.1118100000e-01  1.2460200000e-01  5.8762500000e-01 -5.6257600000e-01 -5.0441700000e-01  1.3448370000e+00  2.4795170000e+00 -7.8155000000e-02  1.3474550000e+00  2.8901940000e+00 -9.4277600000e-01  2.1802370000e+00  2.7364820000e+00  3.1211100000e-01
-ENERGY -1.526610854875e+02
-FORCES  7.6219000000e-03  8.9372000000e-03 -1.0944000000e-03 -4.5911000000e-03 -8.5909000000e-03  6.9560000000e-04 -1.5105000000e-03  1.8211000000e-03  1.1719000000e-03  7.7380000000e-04  4.9380000000e-04 -2.3600000000e-03  1.4971000000e-03 -1.5553000000e-03  4.5417000000e-03 -3.7912000000e-03 -1.1058000000e-03 -2.9548000000e-03
-
-JOB 404
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5440000000e-03 -9.2991300000e-01 -2.2679600000e-01 -9.1068000000e-01  2.7819200000e-01 -9.7481000000e-02  8.4140200000e-01  2.2978400000e+00  2.2303060000e+00 -1.3077000000e-02  2.0396420000e+00  2.5758960000e+00  1.4121110000e+00  2.3266540000e+00  2.9982200000e+00
-ENERGY -1.526518955793e+02
-FORCES -3.3623000000e-03 -1.9619000000e-03 -1.8412000000e-03  3.9410000000e-04  4.0966000000e-03  1.3064000000e-03  3.6174000000e-03 -1.1958000000e-03  1.2064000000e-03 -1.1992000000e-03 -2.9748000000e-03  3.5685000000e-03  2.6989000000e-03  2.1336000000e-03 -1.0429000000e-03 -2.1488000000e-03 -9.7600000000e-05 -3.1972000000e-03
-
-JOB 405
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9814100000e-01  7.0267500000e-01  5.7757400000e-01  8.9744000000e-01  2.4188400000e-01 -2.2874600000e-01  3.7264700000e-01  2.1588130000e+00  1.8488320000e+00 -4.6989900000e-01  2.0558470000e+00  2.2912650000e+00  1.0167490000e+00  1.8435460000e+00  2.4828440000e+00
-ENERGY -1.526573254083e+02
-FORCES  5.4562000000e-03  1.1455400000e-02  5.9161000000e-03 -5.9608000000e-03 -5.0723000000e-03 -1.2909000000e-03 -1.6821000000e-03 -2.8804000000e-03 -4.3340000000e-04  1.3421000000e-03 -3.2061000000e-03  4.2207000000e-03  3.9944000000e-03 -2.2040000000e-03 -5.2060000000e-03 -3.1499000000e-03  1.9073000000e-03 -3.2065000000e-03
-
-JOB 406
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5626300000e-01  1.2450000000e-02  4.0483000000e-02  2.0798700000e-01  3.4605600000e-01 -8.6788200000e-01 -1.3282740000e+00 -1.8333750000e+00 -2.9794550000e+00 -6.8754000000e-01 -2.3079630000e+00 -2.4498710000e+00 -8.7476000000e-01 -1.0333360000e+00 -3.2449630000e+00
-ENERGY -1.526548918223e+02
-FORCES -4.2799000000e-03  2.0832000000e-03 -2.7530000000e-03  4.6471000000e-03  3.0940000000e-04  3.0750000000e-04 -3.6700000000e-04 -2.1833000000e-03  2.6266000000e-03  5.0964000000e-03 -4.5000000000e-06  9.9260000000e-04 -3.1174000000e-03  2.0918000000e-03 -3.0939000000e-03 -1.9792000000e-03 -2.2967000000e-03  1.9203000000e-03
-
-JOB 407
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8144000000e-02 -1.6728700000e-01  9.3922300000e-01 -9.0381000000e-01  3.9799000000e-02 -3.1268900000e-01 -2.8693700000e-01 -2.7236010000e+00 -7.0626200000e-01  1.6388300000e-01 -2.9531630000e+00 -1.5188470000e+00 -1.3068200000e-01 -1.7850100000e+00 -6.0203400000e-01
-ENERGY -1.526600898220e+02
-FORCES -3.6491000000e-03  5.0950000000e-04  4.6875000000e-03  2.3100000000e-05  1.5670000000e-04 -5.9324000000e-03  6.5251000000e-03 -4.3881000000e-03  5.5060000000e-04  5.1055000000e-03  1.0533900000e-02  3.9850000000e-04 -1.4683000000e-03  1.8131000000e-03  2.4680000000e-03 -6.5363000000e-03 -8.6252000000e-03 -2.1722000000e-03
-
-JOB 408
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2718400000e-01  4.5495400000e-01  6.5675400000e-01 -1.4810800000e-01  4.9055600000e-01 -8.0848600000e-01 -2.6007400000e-01 -1.7056000000e-01  3.3828410000e+00 -3.7539100000e-01 -2.5804400000e-01  4.3290340000e+00 -7.1768400000e-01  6.3988500000e-01  3.1592250000e+00
-ENERGY -1.526521218690e+02
-FORCES -2.6059000000e-03  3.0207000000e-03  3.3080000000e-04  1.2875000000e-03  1.2780000000e-04 -2.7484000000e-03  7.3330000000e-04 -2.1675000000e-03  3.6106000000e-03 -1.8185000000e-03  2.3993000000e-03  4.7151000000e-03  6.9920000000e-04  3.2210000000e-04 -4.1357000000e-03  1.7043000000e-03 -3.7024000000e-03 -1.7723000000e-03
-
-JOB 409
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2251800000e-01 -5.3105900000e-01  6.0098600000e-01  6.4538100000e-01  4.6852100000e-01 -5.2934200000e-01 -2.1581700000e+00 -1.6468440000e+00 -8.6961200000e-01 -2.4814250000e+00 -1.5981220000e+00 -1.7692590000e+00 -1.6252800000e+00 -8.5886600000e-01 -7.6307200000e-01
-ENERGY -1.526605953673e+02
-FORCES  3.5931000000e-03 -3.6266000000e-03  9.9100000000e-04 -1.0105000000e-03  3.8545000000e-03 -2.8793000000e-03 -2.8558000000e-03 -2.5473000000e-03  2.2771000000e-03  6.3202000000e-03  6.5491000000e-03  6.3250000000e-04  2.0999000000e-03  7.9060000000e-04  2.7445000000e-03 -8.1470000000e-03 -5.0203000000e-03 -3.7657000000e-03
-
-JOB 410
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9908000000e-02 -3.3767100000e-01 -8.9293000000e-01 -1.4489600000e-01 -7.7709200000e-01  5.3978300000e-01 -2.9986500000e-01 -1.2272280000e+00 -2.4885620000e+00  3.0383200000e-01 -1.4118890000e+00 -3.2080630000e+00 -1.1682070000e+00 -1.2570810000e+00 -2.8902120000e+00
-ENERGY -1.526611878731e+02
-FORCES -1.2353000000e-03 -7.8669000000e-03 -9.7136000000e-03  1.9036000000e-03  4.2501000000e-03  7.6137000000e-03  1.2640000000e-04  2.2234000000e-03 -1.1870000000e-03 -1.9071000000e-03  1.5117000000e-03 -2.7800000000e-04 -3.7792000000e-03  7.6550000000e-04  3.0424000000e-03  4.8916000000e-03 -8.8390000000e-04  5.2260000000e-04
-
-JOB 411
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3917100000e-01 -7.9452500000e-01  4.7724100000e-01  8.3420800000e-01  3.5760900000e-01 -3.0404800000e-01 -1.8505180000e+00  7.1799000000e-02 -2.0425240000e+00 -2.4613710000e+00 -6.3711200000e-01 -1.8411880000e+00 -1.3225620000e+00  1.6608500000e-01 -1.2496790000e+00
-ENERGY -1.526602507284e+02
-FORCES  6.0520000000e-04 -2.8007000000e-03 -4.2272000000e-03 -1.1880000000e-04  3.9962000000e-03 -2.1282000000e-03 -3.9687000000e-03 -2.4043000000e-03  2.1371000000e-03  7.3288000000e-03 -2.4418000000e-03  1.1448800000e-02  2.1139000000e-03  1.5586000000e-03 -7.9000000000e-05 -5.9605000000e-03  2.0920000000e-03 -7.1516000000e-03
-
-JOB 412
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8938600000e-01 -2.9590300000e-01  8.9039700000e-01  8.1173700000e-01 -1.5628800000e-01 -4.8258600000e-01  7.5318100000e-01 -7.0679800000e-01  2.4762570000e+00  6.8119900000e-01 -1.5067150000e+00  2.9970080000e+00  1.6318200000e+00 -7.4468900000e-01  2.0983810000e+00
-ENERGY -1.526563581727e+02
-FORCES  3.1396000000e-03 -4.9944000000e-03  1.3954100000e-02  4.2527000000e-03  2.7568000000e-03 -8.8865000000e-03 -1.2053000000e-03 -9.4700000000e-05  3.8239000000e-03 -6.3420000000e-04 -2.1015000000e-03 -4.0516000000e-03  2.0398000000e-03  4.3516000000e-03 -2.6383000000e-03 -7.5926000000e-03  8.2200000000e-05 -2.2017000000e-03
-
-JOB 413
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2935700000e-01 -5.0959100000e-01 -7.4032000000e-01  4.2602000000e-01  7.5769800000e-01 -4.0079000000e-01  1.4825200000e+00 -2.3051790000e+00  3.0866200000e-01  6.8819900000e-01 -2.8372590000e+00  2.6200300000e-01  1.1649180000e+00 -1.4034240000e+00  3.5555700000e-01
-ENERGY -1.526585871216e+02
-FORCES  1.1487000000e-03 -1.3118000000e-03 -4.8881000000e-03  3.3056000000e-03  8.1470000000e-04  5.3992000000e-03 -1.7133000000e-03 -4.8659000000e-03  1.8396000000e-03 -9.1357000000e-03  1.1273300000e-02  1.7159000000e-03  1.8420000000e-03  2.1514000000e-03 -1.4869000000e-03  4.5527000000e-03 -8.0617000000e-03 -2.5798000000e-03
-
-JOB 414
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9986200000e-01  1.3694000000e-01 -2.9618800000e-01 -5.0649400000e-01 -9.4121000000e-02 -8.0674500000e-01 -3.9290300000e+00  1.8404100000e-01 -2.2405600000e-01 -3.8265400000e+00  1.1355230000e+00 -2.0383200000e-01 -4.8751210000e+00  4.3711000000e-02 -1.8594900000e-01
-ENERGY -1.526548245366e+02
-FORCES  6.4970000000e-04 -6.6260000000e-04 -4.5926000000e-03 -3.6877000000e-03 -4.6710000000e-04  1.2743000000e-03  3.5555000000e-03  1.1277000000e-03  3.0038000000e-03 -3.7644000000e-03  3.3393000000e-03  1.3396000000e-03 -6.1970000000e-04 -4.0296000000e-03 -8.4320000000e-04  3.8666000000e-03  6.9220000000e-04 -1.8180000000e-04
-
-JOB 415
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4802900000e-01 -6.3734800000e-01 -5.5613800000e-01 -9.2666500000e-01 -2.2912300000e-01 -7.0894000000e-02  7.1148600000e-01  5.3392000000e-01  2.5973620000e+00  4.6533600000e-01 -9.3197000000e-02  3.2773370000e+00  4.3227400000e-01  1.2279100000e-01  1.7792880000e+00
-ENERGY -1.526598942768e+02
-FORCES -3.8830000000e-04 -7.7830000000e-04 -9.1390000000e-04 -3.1848000000e-03  2.8614000000e-03  3.2529000000e-03  5.5836000000e-03  8.1700000000e-05  1.5006000000e-03 -2.9460000000e-03 -3.5141000000e-03 -1.1191500000e-02 -1.5570000000e-04  1.1141000000e-03 -3.8628000000e-03  1.0911000000e-03  2.3520000000e-04  1.1214700000e-02
-
-JOB 416
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5292100000e-01 -1.1577600000e-01 -9.3778600000e-01  4.9850500000e-01 -7.0493200000e-01  4.1327300000e-01 -3.3199350000e+00 -7.8615900000e-01  3.6886400000e-01 -2.8136820000e+00 -1.4424450000e+00 -1.0991500000e-01 -4.1700930000e+00 -7.7124400000e-01 -7.0728000000e-02
-ENERGY -1.526526810808e+02
-FORCES  3.0580000000e-03 -1.9640000000e-03 -1.4852000000e-03 -1.2334000000e-03 -8.7300000000e-05  3.9362000000e-03 -2.6455000000e-03  2.6120000000e-03 -2.0600000000e-03  3.6740000000e-04 -2.0658000000e-03 -3.7118000000e-03 -3.2986000000e-03  1.2622000000e-03  1.6553000000e-03  3.7521000000e-03  2.4290000000e-04  1.6655000000e-03
-
-JOB 417
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9152100000e-01  8.5247000000e-01  1.9036200000e-01  5.5077100000e-01 -3.6814300000e-01 -6.9090800000e-01  5.2698100000e-01 -1.8638140000e+00  1.8990650000e+00  3.1308500000e-01 -1.0681940000e+00  1.4117580000e+00  8.5818600000e-01 -1.5484650000e+00  2.7399520000e+00
-ENERGY -1.526598185909e+02
-FORCES  4.3592000000e-03 -2.7737000000e-03 -1.1833000000e-03 -1.1829000000e-03 -5.7557000000e-03  6.8130000000e-04 -2.6868000000e-03  3.0084000000e-03  4.2050000000e-03 -3.8328000000e-03  1.0771900000e-02 -8.3973000000e-03  4.4671000000e-03 -6.4583000000e-03  8.4525000000e-03 -1.1238000000e-03  1.2074000000e-03 -3.7583000000e-03
-
-JOB 418
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7313600000e-01  2.2402100000e-01  5.1798400000e-01 -6.0735600000e-01  7.2452700000e-01  1.4970300000e-01  3.2190160000e+00 -1.0060540000e+00 -2.4999500000e-01  3.4096340000e+00 -1.8534120000e+00 -6.5233800000e-01  4.0629900000e+00 -7.0487900000e-01  8.6508000000e-02
-ENERGY -1.526558887753e+02
-FORCES  3.0120000000e-03  2.9051000000e-03  2.3061000000e-03 -6.0041000000e-03  1.0264000000e-03 -5.5310000000e-04  2.6044000000e-03 -2.7713000000e-03 -6.1910000000e-04  4.1351000000e-03 -3.9354000000e-03 -1.8922000000e-03  2.7440000000e-04  3.6368000000e-03  1.8656000000e-03 -4.0219000000e-03 -8.6150000000e-04 -1.1072000000e-03
-
-JOB 419
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0886200000e-01  2.3222800000e-01  8.3374700000e-01  1.7630600000e-01  8.4030800000e-01 -4.2311900000e-01  2.0891060000e+00  1.6143000000e-01  2.5503640000e+00  2.3739160000e+00  4.7998100000e-01  1.6938360000e+00  1.3055340000e+00 -3.5631100000e-01  2.3654540000e+00
-ENERGY -1.526556563716e+02
-FORCES -2.7636000000e-03  5.5815000000e-03  3.1860000000e-04  3.8366000000e-03 -2.6818000000e-03 -2.4226000000e-03  1.0800000000e-05 -4.0031000000e-03  2.0970000000e-03 -1.7156000000e-03 -2.8082000000e-03 -7.3007000000e-03  6.2500000000e-05  7.6540000000e-04  4.3265000000e-03  5.6930000000e-04  3.1462000000e-03  2.9811000000e-03
-
-JOB 420
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2289900000e-01 -2.8942100000e-01 -5.5667200000e-01  4.2216400000e-01  4.8709000000e-01  7.0763900000e-01  2.8020610000e+00 -1.6549060000e+00  1.7607450000e+00  3.0907750000e+00 -8.6373900000e-01  1.3058480000e+00  3.1491450000e+00 -2.3748040000e+00  1.2339520000e+00
-ENERGY -1.526530660693e+02
-FORCES  4.7821000000e-03 -7.7840000000e-04  2.2337000000e-03 -2.4080000000e-03  1.8322000000e-03  1.5475000000e-03 -1.3779000000e-03 -8.0330000000e-04 -3.7353000000e-03  2.9468000000e-03 -1.0030000000e-03 -3.4164000000e-03 -2.5249000000e-03 -2.6488000000e-03  1.3243000000e-03 -1.4182000000e-03  3.4012000000e-03  2.0462000000e-03
-
-JOB 421
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9687700000e-01 -8.1075100000e-01 -4.1325400000e-01 -9.5374800000e-01 -2.6830000000e-02 -7.6656000000e-02 -2.5862100000e+00 -1.2036470000e+00 -1.8601440000e+00 -2.3291660000e+00 -4.6120100000e-01 -2.4068920000e+00 -3.5000550000e+00 -1.0302680000e+00 -1.6341850000e+00
-ENERGY -1.526580831346e+02
-FORCES -4.4423000000e-03 -5.8078000000e-03 -2.4574000000e-03  6.1410000000e-04  3.6759000000e-03  1.6225000000e-03  4.6176000000e-03  3.3426000000e-03  1.6013000000e-03 -4.3405000000e-03  2.3495000000e-03 -3.9454000000e-03 -1.0004000000e-03 -3.3421000000e-03  3.7613000000e-03  4.5516000000e-03 -2.1820000000e-04 -5.8230000000e-04
-
-JOB 422
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3529600000e-01 -7.9179100000e-01 -5.2507000000e-02 -5.5275600000e-01  6.3347100000e-01  4.5761100000e-01 -2.0700650000e+00  1.6578730000e+00  9.0053900000e-01 -1.6988240000e+00  2.5352770000e+00  8.0794000000e-01 -2.4131890000e+00  1.6355180000e+00  1.7938460000e+00
-ENERGY -1.526600308768e+02
-FORCES -1.2794500000e-02  4.8047000000e-03  3.9967000000e-03  2.0476000000e-03  1.4143000000e-03  3.4650000000e-04  9.0809000000e-03 -2.1980000000e-03 -2.2324000000e-03 -3.9400000000e-05  1.9816000000e-03  1.4473000000e-03 -4.7420000000e-04 -6.1769000000e-03  1.2610000000e-03  2.1795000000e-03  1.7420000000e-04 -4.8191000000e-03
-
-JOB 423
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1795600000e-01 -2.6321500000e-01  8.6362800000e-01  6.2376500000e-01  7.0384800000e-01  1.7817600000e-01  5.0217000000e-02  3.6394920000e+00 -2.1403380000e+00 -4.7139900000e-01  3.8019740000e+00 -1.3543690000e+00 -2.8669500000e-01  2.8126000000e+00 -2.4852620000e+00
-ENERGY -1.526556692333e+02
-FORCES  2.0516000000e-03  9.8100000000e-04  4.6718000000e-03  1.2626000000e-03  1.3185000000e-03 -3.5795000000e-03 -3.4197000000e-03 -2.9771000000e-03 -6.4910000000e-04 -4.3421000000e-03 -3.0126000000e-03  1.0579000000e-03  2.6578000000e-03 -4.4570000000e-04 -2.7620000000e-03  1.7898000000e-03  4.1358000000e-03  1.2610000000e-03
-
-JOB 424
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2485100000e-01  1.6311800000e-01 -1.8513600000e-01 -3.9844400000e-01 -1.2649000000e-01 -8.6108900000e-01  2.3249310000e+00  3.8933100000e-01 -1.3492640000e+00  3.0859410000e+00  2.1942500000e-01 -7.9408200000e-01  2.3887110000e+00 -2.6038000000e-01 -2.0492920000e+00
-ENERGY -1.526575840741e+02
-FORCES  1.2914700000e-02  3.3132000000e-03 -1.1892100000e-02 -3.4104000000e-03 -1.7572000000e-03  7.7784000000e-03 -1.5340000000e-04 -7.4630000000e-04  2.0454000000e-03 -2.7607000000e-03 -4.4128000000e-03  4.1400000000e-05 -6.2463000000e-03  1.2710000000e-04 -1.6684000000e-03 -3.4390000000e-04  3.4760000000e-03  3.6952000000e-03
-
-JOB 425
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8017400000e-01 -6.5064000000e-02  3.7052900000e-01  1.0215500000e-01  5.6934400000e-01 -7.6265600000e-01  9.2029400000e-01 -2.3706950000e+00  2.0440610000e+00  1.6713150000e+00 -1.8950120000e+00  1.6892020000e+00  7.9157100000e-01 -1.9992980000e+00  2.9168300000e+00
-ENERGY -1.526510822008e+02
-FORCES  3.6848000000e-03  1.0595000000e-03 -1.2238000000e-03 -1.7978000000e-03  3.4160000000e-04 -9.4510000000e-04 -5.4630000000e-04 -2.8982000000e-03  3.4895000000e-03  1.1164000000e-03  2.9397000000e-03  2.1354000000e-03 -3.4546000000e-03  1.6470000000e-04  3.9930000000e-04  9.9750000000e-04 -1.6073000000e-03 -3.8553000000e-03
-
-JOB 426
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9561800000e-01  8.9733000000e-02  3.2565100000e-01  5.3024000000e-02  6.1726300000e-01 -7.2966200000e-01  1.4367580000e+00 -1.5784300000e-01  2.4303460000e+00  2.1312000000e+00 -7.9414500000e-01  2.6009410000e+00  1.2263570000e+00 -2.7483300000e-01  1.5039140000e+00
-ENERGY -1.526615432911e+02
-FORCES -2.9341000000e-03  3.5469000000e-03  1.2642000000e-03  3.9783000000e-03 -4.8700000000e-05 -3.0028000000e-03 -1.2430000000e-03 -2.7644000000e-03  3.1826000000e-03 -2.4718000000e-03 -9.2630000000e-04 -8.4830000000e-03 -2.4864000000e-03  1.9180000000e-03 -2.0092000000e-03  5.1569000000e-03 -1.7255000000e-03  9.0482000000e-03
-
-JOB 427
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9667700000e-01 -5.1908100000e-01  1.0996500000e-01 -1.1566000000e-01  7.4499800000e-01  5.8977300000e-01 -2.8417490000e+00  9.9908800000e-01  3.1534700000e-01 -3.0930910000e+00  7.9380900000e-01  1.2158580000e+00 -3.3578980000e+00  3.9729100000e-01 -2.2099500000e-01
-ENERGY -1.526552264007e+02
-FORCES -9.7705000000e-03  4.9458000000e-03  2.3533000000e-03  3.6590000000e-03 -2.4003000000e-03 -4.5710000000e-04  3.5992000000e-03 -2.7688000000e-03 -2.6420000000e-04 -4.0241000000e-03 -1.7039000000e-03 -5.2920000000e-04  3.2411000000e-03  1.6090000000e-04 -4.2912000000e-03  3.2954000000e-03  1.7664000000e-03  3.1883000000e-03
-
-JOB 428
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1011800000e-01  2.4342800000e-01 -7.7249900000e-01  6.5444300000e-01 -1.5031900000e-01  6.8215900000e-01 -2.3787150000e+00 -1.5271570000e+00 -1.3610300000e-01 -2.1819610000e+00 -2.4576040000e+00 -2.4467500000e-01 -1.5328370000e+00 -1.0899710000e+00 -2.3403700000e-01
-ENERGY -1.526609891941e+02
-FORCES  2.4403000000e-03 -3.3000000000e-06  1.4092000000e-03 -2.2102000000e-03 -1.9763000000e-03  4.2017000000e-03 -2.1490000000e-03  1.0082000000e-03 -4.3266000000e-03  9.9893000000e-03  3.9362000000e-03  2.6070000000e-04  3.6700000000e-04  3.0946000000e-03  4.5310000000e-04 -8.4374000000e-03 -6.0595000000e-03 -1.9980000000e-03
-
-JOB 429
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0709500000e-01  3.1838000000e-02  8.6573200000e-01 -7.9159700000e-01 -5.2316000000e-01  1.2613100000e-01  6.0333200000e-01 -3.2524710000e+00  1.0382350000e+00  4.9879300000e-01 -2.7245270000e+00  1.8298020000e+00  1.5482320000e+00 -3.2732830000e+00  8.8670100000e-01
-ENERGY -1.526534285582e+02
-FORCES -1.7161000000e-03 -4.5813000000e-03  3.2896000000e-03 -1.2224000000e-03 -1.6530000000e-04 -2.6259000000e-03  2.4950000000e-03  3.9130000000e-03  1.3510000000e-04  4.6879000000e-03  2.0369000000e-03  1.2688000000e-03 -3.1080000000e-04 -8.8470000000e-04 -3.5059000000e-03 -3.9337000000e-03 -3.1860000000e-04  1.4383000000e-03
-
-JOB 430
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5006900000e-01  6.5552100000e-01 -6.0330400000e-01  6.8957400000e-01 -1.1731700000e-01  6.5341900000e-01  1.6065570000e+00  2.8580240000e+00  1.6196140000e+00  2.1177750000e+00  2.5911350000e+00  8.5563800000e-01  1.7791030000e+00  2.1798200000e+00  2.2726830000e+00
-ENERGY -1.526525220903e+02
-FORCES  3.3766000000e-03  3.8638000000e-03  8.0090000000e-04 -5.0270000000e-04 -3.3629000000e-03  1.8985000000e-03 -1.8980000000e-03  9.5200000000e-05 -2.4723000000e-03  2.6539000000e-03 -2.8407000000e-03  5.8920000000e-04 -3.0012000000e-03  3.3400000000e-05  2.6860000000e-03 -6.2870000000e-04  2.2112000000e-03 -3.5024000000e-03
-
-JOB 431
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7329000000e-01 -6.9736000000e-01 -5.3905000000e-01 -9.4409700000e-01 -1.5562800000e-01 -2.6302000000e-02 -2.7195530000e+00 -1.2344900000e-01 -1.8440000000e-03 -3.0110820000e+00 -1.0030590000e+00  2.3800600000e-01 -3.1438090000e+00  4.5189600000e-01  6.3472300000e-01
-ENERGY -1.526602139224e+02
-FORCES -1.4362300000e-02 -9.1040000000e-04 -1.8919000000e-03 -2.9326000000e-03  1.1973000000e-03  1.7311000000e-03  1.0832100000e-02 -2.2728000000e-03  5.8070000000e-04  1.9737000000e-03  1.4146000000e-03  3.8270000000e-03  3.1419000000e-03  4.7012000000e-03 -1.0985000000e-03  1.3472000000e-03 -4.1299000000e-03 -3.1484000000e-03
-
-JOB 432
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6992900000e-01 -3.2022000000e-01 -7.6997200000e-01 -2.3963400000e-01 -6.0950300000e-01  6.9807900000e-01 -4.6849000000e-02 -1.9165880000e+00  1.6946910000e+00  6.5885300000e-01 -2.3525580000e+00  1.2170430000e+00 -6.3838400000e-01 -2.6250940000e+00  1.9483400000e+00
-ENERGY -1.526570876862e+02
-FORCES -4.2947000000e-03 -1.5187400000e-02  1.3498600000e-02  1.5103000000e-03 -8.0730000000e-04  2.8278000000e-03  3.3581000000e-03  4.3554000000e-03 -6.1845000000e-03  1.1636000000e-03  7.1846000000e-03 -9.5611000000e-03 -5.6937000000e-03  1.6117000000e-03  2.2837000000e-03  3.9564000000e-03  2.8430000000e-03 -2.8646000000e-03
-
-JOB 433
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7234700000e-01  5.6038100000e-01  7.5393000000e-02  3.8052300000e-01 -3.6370000000e-03  8.7830600000e-01  7.6450500000e-01  2.6456320000e+00 -9.3500400000e-01  2.6409600000e-01  2.5045590000e+00 -1.7386960000e+00  8.3317700000e-01  1.7767120000e+00 -5.3941200000e-01
-ENERGY -1.526587669634e+02
-FORCES -4.1283000000e-03  9.8230000000e-04  4.3925000000e-03  6.0062000000e-03 -1.6291000000e-03 -1.7673000000e-03 -9.2630000000e-04  2.0844000000e-03 -5.7063000000e-03 -1.2593000000e-03 -1.1404100000e-02 -1.4746000000e-03  4.7030000000e-04  1.2496000000e-03  3.1227000000e-03 -1.6270000000e-04  8.7169000000e-03  1.4330000000e-03
-
-JOB 434
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2559400000e-01 -7.8886800000e-01 -4.3348300000e-01  2.5368200000e-01  5.8070400000e-01 -7.1739800000e-01  2.2727370000e+00  3.7033200000e-01  1.5948400000e+00  1.5702600000e+00  5.4707000000e-02  1.0263880000e+00  3.0748110000e+00  2.0626800000e-01  1.0988630000e+00
-ENERGY -1.526602523215e+02
-FORCES -7.1000000000e-04  5.6730000000e-04 -2.9431000000e-03  2.3557000000e-03  4.4416000000e-03  1.5708000000e-03  1.3190000000e-04 -4.4910000000e-03  3.9469000000e-03 -8.2785000000e-03 -3.4862000000e-03 -6.7432000000e-03  1.0058100000e-02  2.4254000000e-03  3.9122000000e-03 -3.5572000000e-03  5.4300000000e-04  2.5650000000e-04
-
-JOB 435
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7304600000e-01 -7.2232100000e-01  5.6562300000e-01  9.3988200000e-01  8.7180000000e-02  1.5891600000e-01  2.6511140000e+00 -5.7320000000e-02  2.9979100000e-01  2.7929370000e+00  7.5697400000e-01 -1.8295300000e-01  3.0134900000e+00 -7.3842700000e-01 -2.6678600000e-01
-ENERGY -1.526583765236e+02
-FORCES  1.7944400000e-02 -3.1960000000e-03  5.3888000000e-03  1.0942000000e-03  1.3189000000e-03 -1.8351000000e-03 -7.7306000000e-03  5.1614000000e-03 -3.9004000000e-03 -4.9884000000e-03 -1.7655000000e-03 -5.1389000000e-03 -4.6890000000e-03 -5.6490000000e-03  2.5002000000e-03 -1.6306000000e-03  4.1301000000e-03  2.9854000000e-03
-
-JOB 436
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1979400000e-01  6.8980700000e-01 -2.3718000000e-01  5.2149800000e-01 -1.3641700000e-01 -7.9098800000e-01  1.6237520000e+00  2.8645400000e+00  5.7132400000e-01  1.2022490000e+00  2.3107740000e+00  1.2285230000e+00  1.0081270000e+00  2.8782340000e+00 -1.6151400000e-01
-ENERGY -1.526547003134e+02
-FORCES  3.4180000000e-04  5.1220000000e-04 -5.3288000000e-03  3.9447000000e-03 -1.2147000000e-03  1.7911000000e-03 -3.0841000000e-03  8.3710000000e-04  3.2656000000e-03 -4.4920000000e-03 -5.2141000000e-03  3.5310000000e-04  1.6691000000e-03  4.8870000000e-03 -1.8515000000e-03  1.6205000000e-03  1.9250000000e-04  1.7704000000e-03
-
-JOB 437
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7062600000e-01 -4.9233000000e-01  2.8280600000e-01 -7.0452700000e-01 -3.0902200000e-01  5.6954300000e-01  1.2834610000e+00 -2.7751860000e+00 -6.5823100000e-01  1.2074220000e+00 -3.2641590000e+00 -1.4775940000e+00  2.2242910000e+00 -2.7416840000e+00 -4.8517600000e-01
-ENERGY -1.526554692191e+02
-FORCES  1.1806000000e-03 -8.2076000000e-03  1.5699000000e-03 -1.1073000000e-03  5.4750000000e-03  1.5022000000e-03  1.9920000000e-03  2.0279000000e-03 -1.7911000000e-03  1.6961000000e-03 -2.0602000000e-03 -5.2472000000e-03  9.2620000000e-04  1.2239000000e-03  3.8310000000e-03 -4.6876000000e-03  1.5411000000e-03  1.3520000000e-04
-
-JOB 438
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7797400000e-01 -9.2996800000e-01  1.4041900000e-01 -4.3666000000e-01  4.4065000000e-01  7.2896300000e-01 -4.5009200000e-01  2.0089560000e+00  1.9101750000e+00  1.9359000000e-02  2.6710490000e+00  1.4027480000e+00  2.0500300000e-01  1.6613090000e+00  2.5153390000e+00
-ENERGY -1.526605624207e+02
-FORCES -4.3950000000e-03  5.5497000000e-03  6.7772000000e-03  3.3950000000e-04  3.9656000000e-03  1.5479000000e-03  3.5376000000e-03 -8.7013000000e-03 -5.6616000000e-03  6.7214000000e-03  2.1690000000e-03 -2.2028000000e-03 -2.3346000000e-03 -3.1135000000e-03  3.4095000000e-03 -3.8688000000e-03  1.3050000000e-04 -3.8703000000e-03
-
-JOB 439
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8130200000e-01  6.0746200000e-01 -6.8417200000e-01  7.4694200000e-01 -5.2464000000e-02  5.9628600000e-01  1.3086250000e+00 -6.0010400000e-01  2.6371830000e+00  1.2498350000e+00 -1.4672090000e+00  2.2360540000e+00  2.1949590000e+00 -5.6152800000e-01  2.9965670000e+00
-ENERGY -1.526585056316e+02
-FORCES  4.4537000000e-03  3.0286000000e-03  4.1043000000e-03 -4.1660000000e-04 -2.0692000000e-03  2.9644000000e-03 -3.2695000000e-03 -2.6265000000e-03 -8.3615000000e-03  2.1874000000e-03 -4.7403000000e-03  3.7705000000e-03  1.2893000000e-03  6.5814000000e-03 -1.9540000000e-04 -4.2444000000e-03 -1.7390000000e-04 -2.2823000000e-03
-
-JOB 440
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9317200000e-01  5.6350500000e-01  7.4925200000e-01 -9.1877500000e-01  1.7641300000e-01 -2.0239400000e-01 -3.3892300000e-01 -2.5854330000e+00  4.5745700000e-01  5.1061500000e-01 -2.9049650000e+00  7.6145700000e-01 -1.7036900000e-01 -1.6862310000e+00  1.7593100000e-01
-ENERGY -1.526585565819e+02
-FORCES -2.8954000000e-03 -6.2222000000e-03  6.0301000000e-03 -1.5404000000e-03 -1.9856000000e-03 -4.3127000000e-03  5.6154000000e-03 -3.1798000000e-03  2.0972000000e-03  6.2138000000e-03  1.7623400000e-02 -2.6890000000e-03 -1.9379000000e-03  1.8456000000e-03 -3.3380000000e-04 -5.4555000000e-03 -8.0813000000e-03 -7.9190000000e-04
-
-JOB 441
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5043700000e-01  1.1156700000e-01 -2.1329000000e-02  1.2999000000e-01 -9.4816100000e-01  1.8035000000e-02  2.9232000000e-01 -2.6937960000e+00  8.4651900000e-01  1.2206500000e-01 -2.8879650000e+00  1.7682260000e+00 -1.8754500000e-01 -3.3687140000e+00  3.6647100000e-01
-ENERGY -1.526598134749e+02
-FORCES -1.2335000000e-03 -1.0903600000e-02  3.5931000000e-03  2.6655000000e-03 -6.6950000000e-04  1.6050000000e-04 -1.4032000000e-03  7.9613000000e-03 -5.4057000000e-03 -1.7244000000e-03 -8.1900000000e-05  4.2246000000e-03  2.0420000000e-04 -9.5410000000e-04 -4.8309000000e-03  1.4914000000e-03  4.6477000000e-03  2.2584000000e-03
-
-JOB 442
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1614400000e-01 -6.6801500000e-01  6.0831000000e-01 -7.9434600000e-01  3.6340100000e-01 -3.9139000000e-01  2.1035930000e+00 -1.6704900000e+00 -1.3325150000e+00  2.9321180000e+00 -1.5068850000e+00 -1.7830840000e+00  1.8094920000e+00 -8.0479000000e-01 -1.0491440000e+00
-ENERGY -1.526602417216e+02
-FORCES -5.3983000000e-03 -2.9805000000e-03  8.1120000000e-04  5.2330000000e-04  3.9410000000e-03 -2.3558000000e-03  3.0536000000e-03 -1.5462000000e-03  2.1542000000e-03 -1.5815000000e-03  5.6234000000e-03  1.3086000000e-03 -3.4529000000e-03  3.4840000000e-04  1.6736000000e-03  6.8559000000e-03 -5.3862000000e-03 -3.5919000000e-03
-
-JOB 443
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2864000000e-02  4.2514000000e-01  8.5450500000e-01 -9.0032300000e-01  1.7036100000e-01 -2.7681700000e-01  6.4241000000e-01  7.4548200000e-01  2.6469360000e+00 -2.1636300000e-01  5.1973100000e-01  3.0043960000e+00  1.2538230000e+00  1.7529500000e-01  3.1130830000e+00
-ENERGY -1.526593113316e+02
-FORCES  2.2949000000e-03  4.3883000000e-03  8.8346000000e-03 -6.9407000000e-03 -2.7006000000e-03 -8.1574000000e-03  2.7545000000e-03 -2.2510000000e-04  3.1682000000e-03  1.8122000000e-03 -5.6284000000e-03  1.8131000000e-03  3.7962000000e-03  9.6760000000e-04 -4.9749000000e-03 -3.7171000000e-03  3.1983000000e-03 -6.8360000000e-04
-
-JOB 444
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7446100000e-01 -1.5211800000e-01 -5.4157400000e-01  3.3510400000e-01  8.4738200000e-01 -2.9305500000e-01  1.0232260000e+00  1.1286930000e+00 -3.2489360000e+00  8.7778300000e-01  1.9209720000e+00 -3.7660170000e+00  3.0111000000e-01  5.4861600000e-01 -3.4903690000e+00
-ENERGY -1.526554619816e+02
-FORCES -1.8860000000e-04  3.7336000000e-03 -4.7400000000e-03  2.4718000000e-03  3.2900000000e-05  1.7845000000e-03 -2.6237000000e-03 -3.3892000000e-03  3.5685000000e-03 -2.4499000000e-03  8.6000000000e-06 -5.1088000000e-03  4.1850000000e-04 -3.4516000000e-03  2.7650000000e-03  2.3718000000e-03  3.0657000000e-03  1.7308000000e-03
-
-JOB 445
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1371200000e-01  5.3414700000e-01 -3.4861700000e-01  1.7306600000e-01 -4.7663000000e-02  9.4021700000e-01 -1.0559120000e+00 -2.1624500000e+00 -1.6030080000e+00 -8.5051500000e-01 -1.4964070000e+00 -9.4693600000e-01 -2.0097560000e+00 -2.2383520000e+00 -1.5774700000e+00
-ENERGY -1.526616339165e+02
-FORCES  4.2540000000e-03  1.3298000000e-03 -1.1700000000e-04 -2.9481000000e-03 -1.7268000000e-03  3.3486000000e-03 -6.1400000000e-04  5.0940000000e-04 -4.5885000000e-03  9.4750000000e-04  7.3212000000e-03  5.3339000000e-03 -4.7282000000e-03 -8.1924000000e-03 -4.6753000000e-03  3.0888000000e-03  7.5870000000e-04  6.9830000000e-04
-
-JOB 446
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5651100000e-01  4.8905600000e-01  6.8458200000e-01 -6.7985600000e-01 -2.0650600000e-01 -6.4139100000e-01 -5.1998700000e-01  1.3394920000e+00  1.9671190000e+00 -7.2540000000e-01  7.7365900000e-01  2.7113430000e+00  4.2628800000e-01  1.4731500000e+00  2.0212550000e+00
-ENERGY -1.526533571923e+02
-FORCES -7.9433000000e-03  1.7297300000e-02  2.4278000000e-02  5.1450000000e-03 -5.0495000000e-03 -5.4826000000e-03 -7.9840000000e-04  2.4986000000e-03  5.1391000000e-03  8.3868000000e-03 -1.4338000000e-02 -1.7833700000e-02  1.7666000000e-03  1.9654000000e-03 -5.5494000000e-03 -6.5567000000e-03 -2.3737000000e-03 -5.5150000000e-04
-
-JOB 447
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4512000000e-01  5.5440500000e-01  2.3165100000e-01  6.5599500000e-01  6.0901100000e-01 -3.3912800000e-01 -1.6556830000e+00  1.4863700000e+00  1.4510260000e+00 -1.2576260000e+00  8.6850500000e-01  2.0642350000e+00 -2.5157820000e+00  1.6760370000e+00  1.8258420000e+00
-ENERGY -1.526597316413e+02
-FORCES -8.0495000000e-03  1.0277300000e-02  2.7545000000e-03  6.4635000000e-03 -5.9240000000e-03  1.9551000000e-03 -2.2334000000e-03 -1.4408000000e-03  1.4401000000e-03  2.3301000000e-03 -4.4519000000e-03 -5.4010000000e-04 -3.4724000000e-03  3.1944000000e-03 -5.5371000000e-03  4.9618000000e-03 -1.6550000000e-03 -7.2400000000e-05
-
-JOB 448
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2162800000e-01  3.3239700000e-01 -7.3051200000e-01  8.3668500000e-01  4.5901700000e-01 -7.4121000000e-02  1.6218340000e+00  1.8885190000e+00  1.4243340000e+00  7.6047900000e-01  2.2774890000e+00  1.2726720000e+00  1.5162960000e+00  1.3769970000e+00  2.2264810000e+00
-ENERGY -1.526586366986e+02
-FORCES  6.2014000000e-03  4.3581000000e-03 -5.7680000000e-04  2.3918000000e-03  5.1040000000e-04  3.7446000000e-03 -6.7509000000e-03 -3.6060000000e-03 -2.8345000000e-03 -7.7447000000e-03 -3.0199000000e-03  4.1605000000e-03  4.5239000000e-03 -1.0386000000e-03 -1.2402000000e-03  1.3785000000e-03  2.7960000000e-03 -3.2535000000e-03
-
-JOB 449
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7770600000e-01  8.2797500000e-01 -4.9862000000e-02  6.3032100000e-01  1.2890600000e-01  7.0873900000e-01 -9.0057000000e-01 -2.0194630000e+00 -1.8729810000e+00 -1.1467420000e+00 -1.7409590000e+00 -2.7550620000e+00 -6.3291900000e-01 -1.2128420000e+00 -1.4325740000e+00
-ENERGY -1.526599268263e+02
-FORCES  1.9825000000e-03  6.8640000000e-04  3.6690000000e-03  2.3976000000e-03 -4.3091000000e-03 -7.0050000000e-04 -3.4847000000e-03  1.3733000000e-03 -2.5531000000e-03  3.1203000000e-03  6.2863000000e-03  3.6524000000e-03  8.4280000000e-04  3.0590000000e-04  3.5154000000e-03 -4.8584000000e-03 -4.3429000000e-03 -7.5832000000e-03
-
-JOB 450
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0281800000e-01  6.3131400000e-01 -7.1211100000e-01  6.2810800000e-01  4.0954200000e-01  5.9496900000e-01  6.4622700000e-01 -2.3474390000e+00  1.2950960000e+00  3.2051600000e-01 -2.0978170000e+00  2.1598690000e+00  3.7160300000e-01 -1.6333290000e+00  7.1989100000e-01
-ENERGY -1.526590830403e+02
-FORCES  2.1239000000e-03 -3.9470000000e-04 -9.8500000000e-04  1.3448000000e-03 -1.3128000000e-03  4.6097000000e-03 -3.9355000000e-03 -4.0401000000e-03 -2.7296000000e-03 -6.0654000000e-03  8.1715000000e-03 -5.1360000000e-03  1.8479000000e-03  5.6900000000e-04 -2.7281000000e-03  4.6842000000e-03 -2.9930000000e-03  6.9691000000e-03
-
-JOB 451
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2827400000e-01 -6.6115300000e-01 -2.9048300000e-01 -8.1479900000e-01 -2.3080800000e-01 -4.4616300000e-01 -4.4743900000e-01 -2.2308440000e+00  2.0697600000e+00 -1.7129000000e-01 -3.0853140000e+00  2.4012030000e+00  3.6407500000e-01 -1.7287750000e+00  1.9949020000e+00
-ENERGY -1.526552170254e+02
-FORCES -4.1123000000e-03 -5.5627000000e-03 -2.7783000000e-03 -1.2017000000e-03  2.6911000000e-03  2.9551000000e-03  3.7932000000e-03  2.2574000000e-03  2.1390000000e-04  4.0270000000e-03  1.8948000000e-03  1.4422000000e-03 -8.7110000000e-04  3.9006000000e-03 -2.3707000000e-03 -1.6350000000e-03 -5.1812000000e-03  5.3770000000e-04
-
-JOB 452
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2353500000e-01 -6.2665700000e-01  5.5480000000e-03 -6.3381600000e-01 -3.5973300000e-01  6.2056600000e-01 -1.7366600000e+00  5.0916900000e-01 -2.2894820000e+00 -2.3856400000e+00  8.8946000000e-01 -1.6975060000e+00 -9.3719800000e-01  4.5445800000e-01 -1.7659380000e+00
-ENERGY -1.526600931512e+02
-FORCES -1.1840000000e-03 -4.7423000000e-03  2.2282000000e-03 -3.8210000000e-03  2.7619000000e-03  6.2100000000e-05  3.1814000000e-03  1.9683000000e-03 -2.6872000000e-03  5.3636000000e-03  3.5330000000e-04  9.7480000000e-03  1.1112000000e-03 -1.6569000000e-03 -1.6687000000e-03 -4.6513000000e-03  1.3158000000e-03 -7.6824000000e-03
-
-JOB 453
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7111900000e-01  7.6544900000e-01  6.4363000000e-02 -5.7680900000e-01  6.6275000000e-02  7.6100700000e-01  1.0823070000e+00  1.4170030000e+00  2.5213180000e+00  2.0045250000e+00  1.4202180000e+00  2.2649290000e+00  9.9745800000e-01  6.6126900000e-01  3.1026090000e+00
-ENERGY -1.526568775710e+02
-FORCES  8.9200000000e-04  6.7789000000e-03  7.8906000000e-03  3.5000000000e-06 -3.0337000000e-03 -3.8791000000e-03  8.4000000000e-06 -2.9302000000e-03 -3.0735000000e-03  4.1121000000e-03 -4.6021000000e-03  1.8157000000e-03 -4.6005000000e-03  2.6670000000e-04 -1.0900000000e-04 -4.1550000000e-04  3.5203000000e-03 -2.6446000000e-03
-
-JOB 454
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0363300000e-01  4.9713300000e-01 -1.5252900000e-01 -5.0658800000e-01  1.0994600000e-01 -8.0468200000e-01 -2.1323970000e+00 -2.8698200000e-01 -2.3437570000e+00 -2.4515910000e+00 -6.8435700000e-01 -3.1539670000e+00 -2.7880890000e+00 -5.2134500000e-01 -1.6869660000e+00
-ENERGY -1.526602055370e+02
-FORCES -1.8500000000e-04  1.7784000000e-03 -6.3453000000e-03 -2.6659000000e-03 -1.7616000000e-03  3.9970000000e-04  3.7222000000e-03  7.4310000000e-04  8.0795000000e-03 -4.6704000000e-03 -3.7504000000e-03 -2.5457000000e-03  1.4260000000e-04  1.6424000000e-03  3.6553000000e-03  3.6565000000e-03  1.3480000000e-03 -3.2435000000e-03
-
-JOB 455
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7042400000e-01 -3.8600300000e-01  7.9373800000e-01  5.2670700000e-01  7.3505300000e-01  3.1385900000e-01 -6.0631900000e-01 -2.9197790000e+00 -2.8235900000e-01 -7.9270600000e-01 -3.7870280000e+00 -6.4204000000e-01 -1.4170730000e+00 -2.6627940000e+00  1.5680900000e-01
-ENERGY -1.526513601566e+02
-FORCES  1.4386000000e-03 -1.1780000000e-03  4.6379000000e-03 -8.0000000000e-04  2.2879000000e-03 -2.8703000000e-03 -1.9099000000e-03 -3.4148000000e-03 -1.7963000000e-03 -4.3206000000e-03 -1.6234000000e-03 -1.1789000000e-03  1.2099000000e-03  4.0032000000e-03  1.2415000000e-03  4.3820000000e-03 -7.4900000000e-05 -3.4000000000e-05
-
-JOB 456
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8365600000e-01  2.5487800000e-01  8.3909300000e-01 -3.1692300000e-01 -8.9099900000e-01 -1.4802800000e-01 -9.5681400000e-01 -2.5478870000e+00 -4.5395200000e-01 -1.4832760000e+00 -2.1768260000e+00 -1.1620360000e+00 -1.3798400000e-01 -2.8091520000e+00 -8.7524600000e-01
-ENERGY -1.526591919080e+02
-FORCES -6.3544000000e-03 -1.3778600000e-02  2.4479000000e-03  6.9750000000e-04 -8.9370000000e-04 -2.6203000000e-03  3.9751000000e-03  8.7266000000e-03 -4.5122000000e-03  1.1300000000e-03  3.7610000000e-04 -4.0863000000e-03  5.1154000000e-03  7.4920000000e-04  5.6498000000e-03 -4.5636000000e-03  4.8205000000e-03  3.1211000000e-03
-
-JOB 457
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7670200000e-01 -1.4781700000e-01 -8.6745500000e-01 -2.2102200000e-01  9.0825900000e-01  2.0602700000e-01  1.4243700000e+00 -2.1111010000e+00  4.9999600000e-01  1.4642860000e+00 -2.3689140000e+00  1.4209580000e+00  9.7753500000e-01 -1.2646240000e+00  5.0689400000e-01
-ENERGY -1.526589141054e+02
-FORCES  5.6353000000e-03 -8.2687000000e-03  3.6530000000e-04  1.2652000000e-03  3.0114000000e-03  4.6633000000e-03 -2.1440000000e-04 -4.3827000000e-03 -2.3822000000e-03 -9.1165000000e-03  1.3966600000e-02 -9.1050000000e-04 -8.8240000000e-04  2.5988000000e-03 -2.1617000000e-03  3.3127000000e-03 -6.9254000000e-03  4.2570000000e-04
-
-JOB 458
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2569000000e-02  6.1946600000e-01 -7.2961400000e-01  5.8939000000e-02 -8.5992600000e-01 -4.1627500000e-01  2.1889940000e+00 -1.3903050000e+00  1.3968970000e+00  2.4399350000e+00 -8.5081600000e-01  2.1467050000e+00  1.4180900000e+00 -9.5376700000e-01  1.0344420000e+00
-ENERGY -1.526590067950e+02
-FORCES  5.3030000000e-04  1.1315000000e-03 -6.1070000000e-03 -1.0696000000e-03 -3.3592000000e-03  2.8685000000e-03  3.0616000000e-03  4.6473000000e-03  5.5769000000e-03 -5.2785000000e-03  8.2274000000e-03 -2.7600000000e-05 -3.1470000000e-04 -1.8040000000e-03 -2.2726000000e-03  3.0709000000e-03 -8.8431000000e-03 -3.8300000000e-05
-
-JOB 459
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7593400000e-01  1.0277900000e-01  9.3526200000e-01  8.6306700000e-01 -1.2683600000e-01 -3.9403100000e-01  7.9354900000e-01 -1.9662000000e-01  2.9257130000e+00  9.5676700000e-01  6.7578200000e-01  3.2841910000e+00  1.1625810000e+00 -7.9565700000e-01  3.5747140000e+00
-ENERGY -1.526601219634e+02
-FORCES  4.9855000000e-03 -2.0457000000e-03  6.9060000000e-03 -2.4005000000e-03  3.6625000000e-03 -7.8560000000e-03 -2.7388000000e-03  5.6310000000e-04  6.5610000000e-04  1.9623000000e-03 -1.7380000000e-03  4.7859000000e-03 -7.0390000000e-04 -4.2832000000e-03 -2.6915000000e-03 -1.1047000000e-03  3.8412000000e-03 -1.8005000000e-03
-
-JOB 460
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1433900000e-01  2.6720600000e-01 -9.3894000000e-02 -7.7193000000e-02 -7.8572700000e-01 -5.4120900000e-01 -1.4657020000e+00  1.5571130000e+00 -1.9613250000e+00 -7.9325800000e-01  2.2361740000e+00 -2.0154240000e+00 -1.1461600000e+00  9.5600800000e-01 -1.2884220000e+00
-ENERGY -1.526592903070e+02
-FORCES  5.0576000000e-03 -1.8544000000e-03 -1.7366000000e-03 -4.8796000000e-03 -1.1187000000e-03 -1.3030000000e-04 -1.0923000000e-03  6.5937000000e-03  1.4339000000e-03  7.4076000000e-03 -2.6034000000e-03  9.4698000000e-03 -1.6417000000e-03 -1.8989000000e-03 -4.7720000000e-04 -4.8516000000e-03  8.8180000000e-04 -8.5596000000e-03
-
-JOB 461
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6453800000e-01 -6.7769500000e-01  1.2390000000e-01  2.4829300000e-01  2.5779900000e-01  8.8776200000e-01  2.6015800000e+00 -7.0074400000e-01 -1.9245600000e-01  3.0370030000e+00  9.2868000000e-02 -5.0361200000e-01  1.6707700000e+00 -4.7758200000e-01 -1.8755900000e-01
-ENERGY -1.526591601902e+02
-FORCES  2.0312000000e-03 -3.5789000000e-03  2.4289000000e-03  3.7377000000e-03  3.9063000000e-03  3.8960000000e-04  1.9555000000e-03 -3.2270000000e-03 -7.0420000000e-03 -1.4800200000e-02  4.6794000000e-03 -3.1037000000e-03 -2.4216000000e-03 -1.6266000000e-03  1.7024000000e-03  9.4974000000e-03 -1.5320000000e-04  5.6248000000e-03
-
-JOB 462
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8370000000e-01 -6.6917300000e-01 -4.8422500000e-01 -3.3636000000e-01 -6.0575000000e-02  8.9410600000e-01 -1.6163990000e+00 -1.9726800000e+00 -7.2962200000e-01 -2.1452690000e+00 -2.1299680000e+00 -1.5117920000e+00 -2.1866040000e+00 -2.2181290000e+00 -1.0260000000e-03
-ENERGY -1.526575712889e+02
-FORCES -1.1966800000e-02 -1.3638000000e-02 -3.0252000000e-03  4.9286000000e-03  5.3027000000e-03  3.4880000000e-04  5.1620000000e-04  3.0000000000e-07 -1.6116000000e-03  2.1266000000e-03  6.4506000000e-03  3.6672000000e-03  2.1411000000e-03  6.9750000000e-04  4.7346000000e-03  2.2542000000e-03  1.1870000000e-03 -4.1138000000e-03
-
-JOB 463
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1520000000e-03  6.8653200000e-01 -6.6697400000e-01  7.5296500000e-01  1.9839400000e-01  5.5670100000e-01  2.4525370000e+00 -2.2318870000e+00  1.1557120000e+00  1.6818540000e+00 -2.6598110000e+00  7.8266900000e-01  3.0771750000e+00 -2.9432750000e+00  1.2970840000e+00
-ENERGY -1.526575460739e+02
-FORCES  4.0829000000e-03  3.8921000000e-03 -5.0400000000e-05 -9.5400000000e-05 -2.5428000000e-03  2.6363000000e-03 -4.8215000000e-03  2.4680000000e-04 -2.9341000000e-03 -9.3710000000e-04 -5.2442000000e-03 -1.2715000000e-03  4.4315000000e-03  1.0171000000e-03  2.4088000000e-03 -2.6604000000e-03  2.6311000000e-03 -7.8910000000e-04
-
-JOB 464
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8245000000e-01  3.6387600000e-01 -7.1469000000e-02 -8.4183000000e-02 -8.9826700000e-01 -3.1978300000e-01 -2.7059250000e+00  1.3827600000e-01  1.3021090000e+00 -2.7725150000e+00  1.9738100000e-01  2.2551590000e+00 -3.0315630000e+00  9.8107100000e-01  9.8605800000e-01
-ENERGY -1.526562123444e+02
-FORCES -9.0427000000e-03 -3.4462000000e-03  2.4980000000e-03  4.6211000000e-03  2.4334000000e-03 -4.2572000000e-03  1.3990000000e-03  2.9181000000e-03  5.6660000000e-04  1.9220000000e-04  2.2750000000e-03  5.6545000000e-03 -1.1243000000e-03 -5.9600000000e-05 -4.2263000000e-03  3.9546000000e-03 -4.1208000000e-03 -2.3560000000e-04
-
-JOB 465
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7966500000e-01 -1.6744900000e-01  8.6258200000e-01  9.0963800000e-01  2.3736100000e-01  1.8014200000e-01 -8.0142400000e-01  2.1948670000e+00 -1.5040310000e+00 -1.7386290000e+00  2.3074990000e+00 -1.3453110000e+00 -5.5601000000e-01  1.4411940000e+00 -9.6739200000e-01
-ENERGY -1.526607213958e+02
-FORCES  1.0358000000e-03  2.0234000000e-03  2.6149000000e-03  2.2900000000e-03  1.1409000000e-03 -4.3216000000e-03 -5.9956000000e-03 -2.6590000000e-04 -9.6620000000e-04  5.1750000000e-04 -1.1587600000e-02  7.4447000000e-03  2.6272000000e-03 -7.8360000000e-04  3.4430000000e-04 -4.7490000000e-04  9.4727000000e-03 -5.1160000000e-03
-
-JOB 466
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9482300000e-01 -9.1686300000e-01  1.9400700000e-01 -5.0246500000e-01  4.9434500000e-01  6.4759900000e-01 -2.8890100000e-01 -2.7954390000e+00  7.6320300000e-01  6.0701200000e-01 -2.8353320000e+00  4.2856800000e-01 -7.2727800000e-01 -3.5478020000e+00  3.6570300000e-01
-ENERGY -1.526608412118e+02
-FORCES -4.9156000000e-03 -7.2799000000e-03  5.1006000000e-03  5.8879000000e-03  7.3666000000e-03 -3.3407000000e-03  1.4164000000e-03 -1.3130000000e-03 -2.1302000000e-03  1.1107000000e-03 -4.5995000000e-03 -2.3155000000e-03 -6.5096000000e-03  2.7423000000e-03  5.8450000000e-04  3.0102000000e-03  3.0835000000e-03  2.1014000000e-03
-
-JOB 467
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9972000000e-02  9.4558900000e-01 -1.4558600000e-01  1.7209600000e-01 -1.0430900000e-01  9.3580700000e-01 -1.2956380000e+00 -2.7272580000e+00  1.0171380000e+00 -1.9245770000e+00 -2.9669050000e+00  1.6977530000e+00 -1.2438380000e+00 -3.5004520000e+00  4.5524900000e-01
-ENERGY -1.526537792529e+02
-FORCES  1.5900000000e-05  1.1212000000e-03  4.6209000000e-03 -5.7480000000e-04 -4.0866000000e-03  5.2130000000e-04  6.6730000000e-04  2.8738000000e-03 -3.8068000000e-03 -2.5323000000e-03 -4.2795000000e-03 -1.5941000000e-03  2.9381000000e-03  1.6215000000e-03 -2.6174000000e-03 -5.1410000000e-04  2.7496000000e-03  2.8761000000e-03
-
-JOB 468
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3419000000e-02  8.4921100000e-01 -4.3842800000e-01 -2.3294000000e-01 -6.3489000000e-01 -6.7741100000e-01 -4.1866200000e-01 -1.8612760000e+00 -1.9353000000e+00  5.2349200000e-01 -1.9724880000e+00 -2.0626160000e+00 -7.7748100000e-01 -1.8206780000e+00 -2.8217720000e+00
-ENERGY -1.526596215936e+02
-FORCES -5.1632000000e-03 -7.4409000000e-03 -1.1600700000e-02  2.2580000000e-04 -2.8098000000e-03  4.1010000000e-04  6.3085000000e-03  4.7190000000e-03  6.3932000000e-03  1.4465000000e-03  3.1986000000e-03 -2.9950000000e-04 -6.0130000000e-03  2.7969000000e-03  1.2010000000e-03  3.1955000000e-03 -4.6370000000e-04  3.8959000000e-03
-
-JOB 469
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4684100000e-01  1.1233300000e-01  8.4297000000e-02  2.1578400000e-01 -6.9377500000e-01  6.2317300000e-01  1.4341370000e+00  1.2107430000e+00  2.6787220000e+00  1.8831690000e+00  5.1966100000e-01  3.1655560000e+00  1.9310490000e+00  2.0047860000e+00  2.8757170000e+00
-ENERGY -1.526526643417e+02
-FORCES -1.6996000000e-03 -4.9230000000e-04  5.9932000000e-03  3.4053000000e-03 -6.0480000000e-04 -9.1580000000e-04 -1.1368000000e-03  6.9820000000e-04 -3.4430000000e-03  4.3236000000e-03  1.7189000000e-03  1.5579000000e-03 -2.6553000000e-03  2.0466000000e-03 -2.7038000000e-03 -2.2373000000e-03 -3.3664000000e-03 -4.8840000000e-04
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-JOB 470
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7804800000e-01 -1.1048900000e-01  3.6476900000e-01 -7.7343000000e-02  9.4079300000e-01 -1.5861500000e-01 -2.4797000000e-02  2.8399610000e+00 -8.4711000000e-02 -8.3882600000e-01  3.3285710000e+00  3.7145000000e-02  5.0648200000e-01  3.0644150000e+00  6.7922300000e-01
-ENERGY -1.526605877017e+02
-FORCES  2.0938000000e-03  1.2044100000e-02 -7.4970000000e-04 -2.5000000000e-03  1.0136000000e-03 -4.2890000000e-04  2.7530000000e-04 -1.0258800000e-02  1.0329000000e-03 -1.6750000000e-03  1.1760000000e-03  4.0044000000e-03  4.5363000000e-03 -2.1324000000e-03 -7.7000000000e-06 -2.7304000000e-03 -1.8425000000e-03 -3.8509000000e-03
-
-JOB 471
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5641400000e-01 -1.3003300000e-01  9.3533800000e-01  8.4426900000e-01 -1.8305400000e-01 -4.1223000000e-01  9.3570500000e-01 -3.3295200000e-01  2.8976680000e+00  7.4585500000e-01  3.2670600000e-01  3.5647820000e+00  1.6831920000e+00 -8.1867000000e-01  3.2463380000e+00
-ENERGY -1.526609948357e+02
-FORCES  5.3904000000e-03 -1.7376000000e-03  6.8110000000e-03 -3.6748000000e-03  1.5367000000e-03 -8.3810000000e-03 -2.5804000000e-03  4.1440000000e-04  6.4860000000e-04  2.5843000000e-03  4.4380000000e-04  4.3834000000e-03  1.4428000000e-03 -3.4679000000e-03 -2.6468000000e-03 -3.1623000000e-03  2.8106000000e-03 -8.1520000000e-04
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-JOB 472
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1784000000e-02  1.3772200000e-01  9.4716700000e-01 -5.1652200000e-01  7.2961700000e-01 -3.4219200000e-01 -1.7399490000e+00  1.8923860000e+00 -1.2374870000e+00 -1.2993010000e+00  2.7261220000e+00 -1.4016390000e+00 -1.7697140000e+00  1.4641460000e+00 -2.0930310000e+00
-ENERGY -1.526615196742e+02
-FORCES -8.0252000000e-03  8.2345000000e-03 -1.4743000000e-03 -1.5810000000e-04  4.4420000000e-04 -3.0013000000e-03  8.2293000000e-03 -7.0594000000e-03  2.9372000000e-03  4.9200000000e-05  9.7450000000e-04 -4.8882000000e-03 -1.4459000000e-03 -5.1756000000e-03  1.2613000000e-03  1.3506000000e-03  2.5818000000e-03  5.1652000000e-03
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-JOB 473
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6518700000e-01 -2.5885800000e-01 -3.1729400000e-01  6.1313900000e-01 -4.4201500000e-01 -5.8729500000e-01 -2.0879690000e+00  1.5208980000e+00 -2.2690880000e+00 -1.7094430000e+00  2.2031030000e+00 -2.8236570000e+00 -1.5704900000e+00  7.3935100000e-01 -2.4630770000e+00
-ENERGY -1.526529908601e+02
-FORCES -2.1237000000e-03 -1.8884000000e-03 -2.1933000000e-03  4.7393000000e-03 -2.7340000000e-04 -3.0090000000e-04 -3.1575000000e-03  2.4036000000e-03  1.4967000000e-03  5.2795000000e-03  1.4024000000e-03 -2.6843000000e-03 -1.9932000000e-03 -2.9764000000e-03  1.7493000000e-03 -2.7443000000e-03  1.3323000000e-03  1.9325000000e-03
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-JOB 474
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4048000000e-01  6.1136400000e-01  7.2300200000e-01 -5.7515900000e-01 -7.3961700000e-01  1.9593400000e-01 -2.3674390000e+00  1.4025830000e+00  2.3510010000e+00 -3.1235260000e+00  1.9293720000e+00  2.0920460000e+00 -2.5070580000e+00  5.5678200000e-01  1.9251380000e+00
-ENERGY -1.526555848439e+02
-FORCES -1.9432000000e-03  6.5420000000e-04  4.4068000000e-03  1.0903000000e-03 -4.4951000000e-03 -4.4073000000e-03  1.1450000000e-03  3.2783000000e-03 -5.0760000000e-04 -5.9522000000e-03 -9.0400000000e-05 -2.2731000000e-03  3.1197000000e-03 -2.5643000000e-03  1.4336000000e-03  2.5404000000e-03  3.2172000000e-03  1.3476000000e-03
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-JOB 475
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3500000000e-04  9.4268100000e-01  1.6608800000e-01  7.2090300000e-01 -3.3727100000e-01  5.3177000000e-01  3.2250000000e-01  2.9353440000e+00  3.9417400000e-01 -1.0209700000e-01  3.3050320000e+00 -3.7995800000e-01 -1.9792500000e-01  3.2573990000e+00  1.1301560000e+00
-ENERGY -1.526615294690e+02
-FORCES  4.3817000000e-03  8.7876000000e-03  3.1572000000e-03 -3.3201000000e-03 -9.7676000000e-03 -1.9015000000e-03 -2.4247000000e-03  7.0230000000e-04 -1.3233000000e-03 -2.5493000000e-03  5.4465000000e-03 -4.4360000000e-04  1.5461000000e-03 -2.7672000000e-03  4.5821000000e-03  2.3662000000e-03 -2.4016000000e-03 -4.0709000000e-03
-
-JOB 476
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4042400000e-01 -8.2654200000e-01  4.6188900000e-01  8.1737700000e-01 -1.2970300000e-01 -4.8094000000e-01 -2.6664470000e+00  9.8964100000e-01 -1.2015050000e+00 -1.9274260000e+00  3.9460000000e-01 -1.3280220000e+00 -2.2870430000e+00  1.7551230000e+00 -7.6985600000e-01
-ENERGY -1.526591551234e+02
-FORCES  3.6021000000e-03 -3.9430000000e-03  2.5958000000e-03  9.4630000000e-04  3.7311000000e-03 -2.9799000000e-03 -4.5628000000e-03  5.1880000000e-04  1.7124000000e-03  9.2026000000e-03 -2.9610000000e-04  4.2089000000e-03 -6.0519000000e-03  8.6340000000e-04 -3.4311000000e-03 -3.1363000000e-03 -8.7420000000e-04 -2.1061000000e-03
-
-JOB 477
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0108300000e-01 -4.7345900000e-01 -4.4782900000e-01 -4.5509000000e-01  6.0648300000e-01  5.8421200000e-01 -2.0054780000e+00 -1.6735640000e+00 -1.1860880000e+00 -1.5255910000e+00 -1.8061330000e+00 -2.0036240000e+00 -1.9313710000e+00 -2.5096730000e+00 -7.2602200000e-01
-ENERGY -1.526614514494e+02
-FORCES -1.0619000000e-02 -4.2174000000e-03 -2.6902000000e-03  9.3914000000e-03  5.2711000000e-03  1.8502000000e-03  1.1148000000e-03 -2.1556000000e-03 -1.6177000000e-03  1.4053000000e-03 -5.2368000000e-03 -7.4900000000e-04 -1.1529000000e-03  1.8825000000e-03  6.0215000000e-03 -1.3950000000e-04  4.4561000000e-03 -2.8148000000e-03
-
-JOB 478
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4101600000e-01  7.4632200000e-01  2.5794900000e-01  5.8467400000e-01 -5.5222900000e-01 -5.1906700000e-01  1.1851190000e+00 -2.2507160000e+00 -1.7220260000e+00  1.9324180000e+00 -2.7525000000e+00 -2.0475860000e+00  4.3670800000e-01 -2.8376810000e+00 -1.8296600000e+00
-ENERGY -1.526610473032e+02
-FORCES  5.6114000000e-03 -2.2958000000e-03 -3.2269000000e-03 -1.3978000000e-03 -2.6500000000e-03 -1.0006000000e-03 -4.7116000000e-03  6.6320000000e-03  5.2365000000e-03  1.5400000000e-05 -5.1994000000e-03 -2.0465000000e-03 -3.7546000000e-03  1.3493000000e-03  9.6630000000e-04  4.2372000000e-03  2.1639000000e-03  7.1200000000e-05
-
-JOB 479
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5950200000e-01  3.5798200000e-01  5.9425500000e-01 -8.3653800000e-01  2.1198900000e-01  4.1412200000e-01 -1.9464430000e+00  8.3299000000e-02  1.7951900000e+00 -1.5561250000e+00 -2.6089500000e-01  2.5985670000e+00 -2.3494610000e+00  9.1034500000e-01  2.0593920000e+00
-ENERGY -1.526571626741e+02
-FORCES -1.2231400000e-02  1.9201000000e-03  1.3818400000e-02 -1.5207000000e-03 -1.3077000000e-03 -8.9560000000e-04  4.4479000000e-03  1.9206000000e-03 -6.7069000000e-03  7.7433000000e-03 -1.9379000000e-03 -1.0070000000e-03 -2.5041000000e-03  3.3962000000e-03 -3.1688000000e-03  4.0650000000e-03 -3.9913000000e-03 -2.0401000000e-03
-
-JOB 480
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1015100000e-01  5.8933200000e-01  4.4343600000e-01  2.0355100000e-01 -6.7005500000e-01  6.5255300000e-01  2.0703070000e+00  1.8924000000e+00  1.2395400000e-01  1.3891740000e+00  1.2199050000e+00  1.1766700000e-01  1.8409730000e+00  2.4730500000e+00 -6.0163800000e-01
-ENERGY -1.526602688020e+02
-FORCES -1.4958000000e-03 -1.0497000000e-03  3.6738000000e-03  6.0379000000e-03 -1.8364000000e-03 -2.6025000000e-03 -5.9940000000e-04  4.9758000000e-03 -3.1761000000e-03 -9.5198000000e-03 -8.8351000000e-03 -4.5564000000e-03  5.7725000000e-03  8.3163000000e-03  4.1363000000e-03 -1.9540000000e-04 -1.5709000000e-03  2.5249000000e-03
-
-JOB 481
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2053000000e-02  3.6616100000e-01  8.8221700000e-01  8.0150300000e-01  2.8856400000e-01 -4.3652800000e-01 -1.8725360000e+00 -1.9560660000e+00 -6.3847700000e-01 -2.1439280000e+00 -1.6065000000e+00 -1.4872300000e+00 -1.2146370000e+00 -1.3364830000e+00 -3.2301100000e-01
-ENERGY -1.526608781237e+02
-FORCES  5.6310000000e-04 -1.4732000000e-03 -4.7850000000e-04  5.8730000000e-04 -1.6555000000e-03 -4.7565000000e-03 -3.6325000000e-03  8.5900000000e-05  3.1440000000e-03  8.0206000000e-03  1.0305900000e-02  2.2350000000e-04  8.3290000000e-04 -1.2549000000e-03  1.8675000000e-03 -6.3714000000e-03 -6.0083000000e-03 -0.0000000000e+00
-
-JOB 482
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4007600000e-01 -3.6943300000e-01  6.9862000000e-01  4.9611900000e-01 -7.4499300000e-01 -3.3923900000e-01 -5.7114500000e-01  5.5875300000e-01 -2.6469230000e+00 -8.2212700000e-01  1.4824360000e+00 -2.6398970000e+00 -3.6614600000e-01  3.5881300000e-01 -1.7335600000e+00
-ENERGY -1.526593943391e+02
-FORCES -2.7153000000e-03 -2.9879000000e-03 -5.9970000000e-04  3.8537000000e-03  1.1507000000e-03 -2.9364000000e-03 -5.2904000000e-03  5.8080000000e-03 -1.1609000000e-03  5.2500000000e-04  1.8439000000e-03  1.3688500000e-02  3.3560000000e-04 -2.5295000000e-03 -4.1800000000e-05  3.2913000000e-03 -3.2851000000e-03 -8.9497000000e-03
-
-JOB 483
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3592000000e-02 -7.6673500000e-01 -5.6827300000e-01  9.3592000000e-01  2.0030600000e-01  1.2773000000e-02 -2.4896610000e+00  7.6886100000e-01 -8.5207600000e-01 -2.9643220000e+00 -6.1127000000e-02 -8.0680400000e-01 -1.5666840000e+00  5.2064200000e-01 -7.9980100000e-01
-ENERGY -1.526557514904e+02
-FORCES  1.2172000000e-03  7.3020000000e-04 -1.2205000000e-03 -3.6821000000e-03  7.1831000000e-03  1.4195000000e-03 -4.6903000000e-03 -2.3346000000e-03  1.1470000000e-04  1.0209300000e-02 -3.0624000000e-03  5.8544000000e-03  3.1454000000e-03  1.8179000000e-03 -4.7340000000e-04 -6.1996000000e-03 -4.3342000000e-03 -5.6947000000e-03
-
-JOB 484
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3987400000e-01  5.7684600000e-01  4.1718400000e-01 -3.1041300000e-01  4.9461700000e-01 -7.5843900000e-01 -8.8020000000e-01  2.1298260000e+00  2.1473890000e+00  2.1663000000e-02  2.1333180000e+00  1.8266670000e+00 -9.2089700000e-01  2.8664990000e+00  2.7572160000e+00
-ENERGY -1.526501973116e+02
-FORCES -1.0650000000e-03  4.9481000000e-03 -5.8850000000e-04 -2.1851000000e-03  5.9500000000e-05  3.3600000000e-05  2.0895000000e-03 -2.4117000000e-03  2.7634000000e-03  3.4475000000e-03  2.3478000000e-03  1.6073000000e-03 -2.1162000000e-03 -1.2315000000e-03 -7.3300000000e-04 -1.7080000000e-04 -3.7123000000e-03 -3.0827000000e-03
-
-JOB 485
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2358100000e-01  5.9300700000e-01  6.2060700000e-01 -3.8866300000e-01 -6.8244100000e-01  5.4721700000e-01  1.8082840000e+00  2.4152870000e+00 -1.4287170000e+00  1.7153840000e+00  2.4217690000e+00 -2.3813760000e+00  2.3742470000e+00  1.6648090000e+00 -1.2478830000e+00
-ENERGY -1.526552459847e+02
-FORCES -5.5320000000e-04  1.4403000000e-03  4.8308000000e-03 -1.0695000000e-03 -4.4764000000e-03 -1.6860000000e-03  1.6906000000e-03  3.0032000000e-03 -2.5098000000e-03  2.7880000000e-04 -4.5576000000e-03 -4.4478000000e-03  1.1577000000e-03  6.2060000000e-04  3.4723000000e-03 -1.5044000000e-03  3.9699000000e-03  3.4050000000e-04
-
-JOB 486
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1289900000e-01  4.7248200000e-01 -1.7940800000e-01  6.7415600000e-01  4.9823300000e-01 -4.6207100000e-01  3.6921000000e-01  1.2460490000e+00  2.5586660000e+00  9.9520000000e-02  9.1580600000e-01  1.7016720000e+00  3.6578800000e-01  2.1982330000e+00  2.4608670000e+00
-ENERGY -1.526580311435e+02
-FORCES  1.1650000000e-03  1.2644000000e-03 -4.8390000000e-03  5.9356000000e-03 -5.0320000000e-04  4.7392000000e-03 -4.5065000000e-03 -1.3771000000e-03  3.8026000000e-03 -1.2333000000e-03 -3.8943000000e-03 -9.4257000000e-03 -1.1453000000e-03  8.2375000000e-03  7.2996000000e-03 -2.1560000000e-04 -3.7272000000e-03 -1.5768000000e-03
-
-JOB 487
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5177000000e-02  9.5483600000e-01 -6.5498000000e-02 -8.5644500000e-01 -2.5071800000e-01 -3.4622700000e-01 -2.0637750000e+00  1.0511220000e+00 -1.8874940000e+00 -2.0097120000e+00  1.1639400000e-01 -1.6885150000e+00 -1.3893190000e+00  1.1945610000e+00 -2.5513960000e+00
-ENERGY -1.526511272051e+02
-FORCES -6.9838000000e-03  7.8630000000e-03 -2.8254000000e-03  3.0628000000e-03 -3.8337000000e-03  8.8140000000e-04 -1.2028000000e-03 -3.0598000000e-03 -4.4669000000e-03  4.9663000000e-03 -4.1417000000e-03 -3.3681000000e-03  3.4888000000e-03  2.9485000000e-03  6.0513000000e-03 -3.3312000000e-03  2.2370000000e-04  3.7277000000e-03
-
-JOB 488
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6142100000e-01 -7.0223500000e-01  5.4080700000e-01  1.5181600000e-01  7.9673300000e-01  5.0833100000e-01  1.0272870000e+00 -2.4107360000e+00  1.0078610000e+00  4.3515300000e-01 -3.0436470000e+00  6.0161800000e-01  1.2055770000e+00 -2.7719320000e+00  1.8761820000e+00
-ENERGY -1.526612657113e+02
-FORCES  5.4056000000e-03 -7.1941000000e-03  5.7415000000e-03 -5.1585000000e-03  8.5285000000e-03 -3.9748000000e-03  6.2300000000e-05 -3.2207000000e-03 -5.8900000000e-04 -2.2186000000e-03 -2.6097000000e-03  0.0000000000e+00  3.1322000000e-03  3.1864000000e-03  3.1915000000e-03 -1.2232000000e-03  1.3096000000e-03 -4.3692000000e-03
-
-JOB 489
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2194000000e-02  4.8325100000e-01  8.2563000000e-01 -6.3410800000e-01  4.4414200000e-01 -5.6291800000e-01  1.0397010000e+00 -2.7136840000e+00  5.0848400000e-01  1.0331970000e+00 -2.7890690000e+00 -4.4572000000e-01  7.0807600000e-01 -1.8326670000e+00  6.8188200000e-01
-ENERGY -1.526590778093e+02
-FORCES -3.1593000000e-03  2.7175000000e-03 -8.1280000000e-04  2.1530000000e-04 -4.0092000000e-03 -3.7291000000e-03  3.1751000000e-03 -9.9870000000e-04  2.8743000000e-03 -3.7866000000e-03  8.9991000000e-03 -5.9739000000e-03  5.3030000000e-04 -1.8536000000e-03  2.4451000000e-03  3.0253000000e-03 -4.8551000000e-03  5.1964000000e-03
-
-JOB 490
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6337900000e-01 -2.2229400000e-01  3.4841700000e-01 -6.1654700000e-01 -3.9869800000e-01  6.1411900000e-01  2.1809700000e-01  2.6031500000e+00  8.0666400000e-01 -1.7885600000e-01  1.8675980000e+00  3.4016400000e-01 -5.2325300000e-01  3.0744280000e+00  1.1868320000e+00
-ENERGY -1.526595426475e+02
-FORCES  4.6507000000e-03  1.3532000000e-03  6.6086000000e-03 -4.9363000000e-03 -3.4870000000e-04 -1.9000000000e-03  2.5441000000e-03  3.5815000000e-03 -2.6948000000e-03 -2.9070000000e-03 -1.0454900000e-02 -4.8664000000e-03 -8.0700000000e-04  9.7042000000e-03  4.3104000000e-03  1.4555000000e-03 -3.8354000000e-03 -1.4579000000e-03
-
-JOB 491
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2558900000e-01 -6.0130000000e-03 -2.4388800000e-01  4.1080000000e-03  2.2873000000e-02  9.5691800000e-01 -1.9367000000e-01 -2.6810000000e-03  2.7646510000e+00  1.1105100000e-01 -8.9194000000e-01  2.5841090000e+00  6.0288700000e-01  4.8703500000e-01  2.9693640000e+00
-ENERGY -1.526560432524e+02
-FORCES -7.0670000000e-04  2.5058000000e-03  1.2596800000e-02 -2.8798000000e-03 -2.1620000000e-04  3.3942000000e-03  5.6281000000e-03 -5.6827000000e-03 -7.9184000000e-03  3.1394000000e-03 -1.5358000000e-03  9.6780000000e-04 -1.0168000000e-03  8.1943000000e-03 -4.6824000000e-03 -4.1643000000e-03 -3.2655000000e-03 -4.3580000000e-03
-
-JOB 492
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6633000000e-01  9.1340500000e-01 -1.0484400000e-01  9.5642900000e-01  3.0119000000e-02  2.3857000000e-02 -3.0982000000e+00 -4.2755400000e-01 -1.4831150000e+00 -2.7104900000e+00 -1.2714010000e+00 -1.2510910000e+00 -4.0288830000e+00 -6.1607100000e-01 -1.6036220000e+00
-ENERGY -1.526560697148e+02
-FORCES  1.9513000000e-03  4.9600000000e-03 -7.7250000000e-04  2.7292000000e-03 -3.4986000000e-03  1.2688000000e-03 -3.9334000000e-03 -1.8960000000e-04 -1.3500000000e-04 -9.0410000000e-04 -4.9445000000e-03  1.0175000000e-03 -3.6591000000e-03  2.8746000000e-03 -1.9082000000e-03  3.8161000000e-03  7.9820000000e-04  5.2940000000e-04
-
-JOB 493
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6971300000e-01 -6.9335300000e-01  6.0228600000e-01 -2.3399000000e-02  7.9056000000e-01  5.3916600000e-01  1.4611160000e+00  1.4634500000e+00 -1.6495960000e+00  1.0181100000e+00  7.1963200000e-01 -1.2412920000e+00  1.6768090000e+00  1.1597950000e+00 -2.5313570000e+00
-ENERGY -1.526603709017e+02
-FORCES  4.3674000000e-03  5.1813000000e-03  2.4510000000e-04 -1.2007000000e-03  4.0758000000e-03 -2.5749000000e-03  1.1352000000e-03 -5.4853000000e-03 -3.1698000000e-03 -8.0182000000e-03 -1.0238500000e-02  6.9768000000e-03  5.1322000000e-03  7.6891000000e-03 -4.9100000000e-03 -1.4160000000e-03 -1.2224000000e-03  3.4327000000e-03
-
-JOB 494
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3645300000e-01 -8.1682300000e-01 -4.3945600000e-01  3.9849400000e-01 -7.0122000000e-02  8.6747800000e-01  1.8821490000e+00  2.5001570000e+00  8.9172000000e-01  9.4385500000e-01  2.4773270000e+00  7.0379600000e-01  2.2231460000e+00  3.1939280000e+00  3.2724400000e-01
-ENERGY -1.526569280067e+02
-FORCES  4.7217000000e-03 -4.1365000000e-03  1.3470000000e-03 -1.1760000000e-03  2.8439000000e-03  1.8790000000e-03 -3.5016000000e-03  6.1950000000e-04 -3.5673000000e-03 -3.2966000000e-03  1.7951000000e-03 -5.1740000000e-03  4.4785000000e-03  1.2991000000e-03  3.3267000000e-03 -1.2260000000e-03 -2.4211000000e-03  2.1886000000e-03
-
-JOB 495
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3394000000e-02  1.5201200000e-01  9.4495800000e-01  7.8953800000e-01 -5.2048600000e-01 -1.4817700000e-01 -7.7060600000e-01  1.8445830000e+00 -3.4094310000e+00 -4.8917900000e-01  2.7014780000e+00 -3.7299940000e+00 -1.1842750000e+00  1.4292750000e+00 -4.1661540000e+00
-ENERGY -1.526524889092e+02
-FORCES  3.3317000000e-03 -1.1619000000e-03  2.5767000000e-03 -5.0500000000e-05 -5.2930000000e-04 -3.9152000000e-03 -3.2444000000e-03  1.8638000000e-03  8.9020000000e-04 -7.7540000000e-04  1.6817000000e-03 -4.0117000000e-03 -1.0906000000e-03 -3.5394000000e-03  1.3800000000e-03  1.8293000000e-03  1.6852000000e-03  3.0800000000e-03
-
-JOB 496
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4258200000e-01  3.2213500000e-01 -7.1976800000e-01 -4.4847600000e-01  2.9895900000e-01  7.9102700000e-01 -3.8399260000e+00 -1.3755990000e+00  1.2466190000e+00 -3.0721600000e+00 -1.0014750000e+00  1.6788220000e+00 -4.3797650000e+00 -6.1867100000e-01  1.0188770000e+00
-ENERGY -1.526529918530e+02
-FORCES -3.7823000000e-03  2.3535000000e-03 -5.7170000000e-04  2.4114000000e-03 -9.5860000000e-04  3.3138000000e-03  1.0256000000e-03 -1.6340000000e-03 -2.7319000000e-03  6.8800000000e-04  3.8036000000e-03  1.1357000000e-03 -3.0507000000e-03 -5.6740000000e-04 -1.9221000000e-03  2.7080000000e-03 -2.9970000000e-03  7.7620000000e-04
-
-JOB 497
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0851500000e-01 -1.3273500000e-01  2.7058000000e-01 -3.6233500000e-01  5.9280500000e-01  6.5842800000e-01  1.3852070000e+00 -2.6438740000e+00 -7.7945000000e-01  1.3475840000e+00 -2.7714860000e+00  1.6845900000e-01  2.3135470000e+00 -2.7294450000e+00 -9.9646300000e-01
-ENERGY -1.526528867457e+02
-FORCES  3.5938000000e-03  8.6030000000e-04  1.5721000000e-03 -3.7877000000e-03  1.7739000000e-03  1.3046000000e-03  1.6137000000e-03 -3.4223000000e-03 -2.7834000000e-03  1.4083000000e-03 -2.4795000000e-03  2.4960000000e-03  1.4162000000e-03  1.6364000000e-03 -3.8792000000e-03 -4.2444000000e-03  1.6312000000e-03  1.2899000000e-03
-
-JOB 498
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2662400000e-01 -4.3798000000e-02 -9.2895400000e-01 -5.4575000000e-02  9.3660300000e-01  1.8981200000e-01  4.3075500000e-01  3.5344700000e-01 -2.7188980000e+00  8.5641600000e-01  1.0356980000e+00 -3.2381080000e+00 -3.1224000000e-01  7.3460000000e-02 -3.2534980000e+00
-ENERGY -1.526602290932e+02
-FORCES  2.6599000000e-03  5.2016000000e-03 -1.2515800000e-02 -2.5369000000e-03 -3.4875000000e-03  7.1609000000e-03  1.2990000000e-04 -2.2284000000e-03  2.6120000000e-04 -1.0490000000e-03  1.5974000000e-03  1.4311000000e-03 -3.3241000000e-03 -3.1113000000e-03  1.2930000000e-03  4.1202000000e-03  2.0281000000e-03  2.3696000000e-03
-
-JOB 499
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2404400000e-01  5.9952600000e-01 -7.1176100000e-01  6.8314600000e-01  1.3999700000e-01  6.5570100000e-01 -2.7445490000e+00  5.2240900000e-01  2.0745400000e-01 -2.9660580000e+00 -7.5887000000e-02  9.2104200000e-01 -1.7939290000e+00  4.5121900000e-01  1.2093700000e-01
-ENERGY -1.526602556252e+02
-FORCES  1.4935000000e-03  2.3338000000e-03  1.0480000000e-03 -3.0572000000e-03 -2.4898000000e-03  5.1257000000e-03 -2.8922000000e-03 -6.9250000000e-04 -3.9593000000e-03  1.2396100000e-02 -5.5648000000e-03  2.1615000000e-03  2.7190000000e-04  1.8988000000e-03 -1.4900000000e-03 -8.2121000000e-03  4.5146000000e-03 -2.8860000000e-03
-
-JOB 500
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4001300000e-01  1.4403400000e-01  1.0891000000e-01  2.8824700000e-01  7.1517300000e-01 -5.6716200000e-01  7.4693900000e-01  2.7299030000e+00  1.4919980000e+00  4.2749500000e-01  2.6394910000e+00  2.3897800000e+00 -3.6432000000e-02  2.9225950000e+00  9.7679800000e-01
-ENERGY -1.526518854378e+02
-FORCES -1.5320000000e-04  5.4020000000e-03 -2.5810000000e-04  3.5879000000e-03  2.1550000000e-04 -6.5700000000e-05 -2.9290000000e-03 -3.0611000000e-03  7.6520000000e-04 -4.6503000000e-03 -2.6622000000e-03  2.5905000000e-03  1.0708000000e-03  1.3221000000e-03 -3.5628000000e-03  3.0738000000e-03 -1.2162000000e-03  5.3090000000e-04
-
-JOB 501
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3455100000e-01 -7.1238800000e-01 -7.7973000000e-02  6.1166300000e-01 -2.9615400000e-01  6.7408700000e-01 -1.3610740000e+00  2.1580670000e+00  9.9894500000e-01 -6.9922800000e-01  1.4778240000e+00  8.7460000000e-01 -1.9809190000e+00  1.7787940000e+00  1.6219820000e+00
-ENERGY -1.526573434758e+02
-FORCES -4.4427000000e-03 -1.8748000000e-03 -3.7300000000e-05  3.9016000000e-03  3.2299000000e-03  1.5237000000e-03 -5.6104000000e-03  4.2442000000e-03 -1.8184000000e-03  5.9686000000e-03 -1.2394200000e-02 -4.5481000000e-03 -2.0243000000e-03  6.8220000000e-03  7.2118000000e-03  2.2073000000e-03 -2.7200000000e-05 -2.3317000000e-03
-
-JOB 502
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8753400000e-01 -4.1697500000e-01 -3.4950600000e-01 -5.0800900000e-01 -7.2073000000e-01  3.7243400000e-01  2.0548220000e+00 -1.8369850000e+00  1.6994880000e+00  1.9572690000e+00 -1.7455390000e+00  7.5167400000e-01  1.4864830000e+00 -2.5720710000e+00  1.9294260000e+00
-ENERGY -1.526493931881e+02
-FORCES  1.9309000000e-03 -4.3771000000e-03  2.9531000000e-03 -1.3082000000e-03 -1.2392000000e-03  1.9538000000e-03  1.9230000000e-03  2.3364000000e-03 -2.5617000000e-03 -3.0189000000e-03 -1.8690000000e-03 -2.3297000000e-03 -1.4418000000e-03  1.3693000000e-03  1.3285000000e-03  1.9150000000e-03  3.7796000000e-03 -1.3441000000e-03
-
-JOB 503
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4499000000e-01  8.6460600000e-01  3.8427400000e-01  5.6604100000e-01 -5.8462500000e-01  5.0402700000e-01  2.0136330000e+00  9.8762500000e-01  2.6914270000e+00  1.9978550000e+00  1.9146460000e+00  2.9293660000e+00  1.1838210000e+00  6.4143100000e-01  3.0197470000e+00
-ENERGY -1.526561857157e+02
-FORCES  5.8411000000e-03  1.7872000000e-03  3.4663000000e-03 -3.0602000000e-03 -2.9181000000e-03 -1.6232000000e-03 -4.0680000000e-03  9.9560000000e-04 -1.6848000000e-03 -1.7998000000e-03  2.9556000000e-03  4.6891000000e-03 -4.6100000000e-04 -4.1830000000e-03 -1.4979000000e-03  3.5478000000e-03  1.3627000000e-03 -3.3496000000e-03
-
-JOB 504
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6998100000e-01 -1.6577600000e-01 -7.5091400000e-01 -7.7729400000e-01  4.1365700000e-01 -3.7541200000e-01  1.6116600000e+00  1.5980490000e+00  1.3814710000e+00  1.0190700000e+00  1.0175640000e+00  9.0386700000e-01  2.0504600000e+00  1.0270200000e+00  2.0120360000e+00
-ENERGY -1.526597777764e+02
-FORCES  2.6796000000e-03  5.6980000000e-03  5.5260000000e-04 -2.6552000000e-03  2.4735000000e-03  5.3709000000e-03  4.9724000000e-03 -2.3002000000e-03  1.1102000000e-03 -1.1873600000e-02 -1.2162600000e-02 -6.8230000000e-03  8.4236000000e-03  5.8075000000e-03  2.4674000000e-03 -1.5468000000e-03  4.8380000000e-04 -2.6783000000e-03
-
-JOB 505
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7159900000e-01  5.8316800000e-01  4.9942100000e-01 -5.8196900000e-01 -4.2451000000e-01 -6.3034500000e-01 -2.4834800000e-01  2.2344970000e+00 -2.1266190000e+00 -1.6195700000e-01  1.6283480000e+00 -1.3908530000e+00 -1.1756570000e+00  2.1968610000e+00 -2.3609560000e+00
-ENERGY -1.526567606219e+02
-FORCES -4.3720000000e-03 -3.9384000000e-03  2.5212000000e-03  3.4420000000e-03 -1.1018000000e-03 -5.9856000000e-03  2.9841000000e-03  5.1448000000e-03  2.3288000000e-03 -2.9220000000e-04 -4.9012000000e-03  4.2011000000e-03 -5.1645000000e-03  5.8577000000e-03 -4.9491000000e-03  3.4026000000e-03 -1.0611000000e-03  1.8837000000e-03
-
-JOB 506
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8201000000e-01 -8.0984600000e-01  4.7671100000e-01  7.8963500000e-01  1.5621500000e-01 -5.1798200000e-01  2.4555190000e+00  9.6171200000e-01 -9.0137100000e-01  3.0106560000e+00  5.4645000000e-01 -1.5613790000e+00  2.9394620000e+00  8.5937300000e-01 -8.1884000000e-02
-ENERGY -1.526596992864e+02
-FORCES  1.0970500000e-02  2.2971000000e-03 -4.5567000000e-03  8.5360000000e-04  2.9589000000e-03 -1.4154000000e-03 -8.4043000000e-03 -5.1873000000e-03  3.7515000000e-03  2.5308000000e-03 -1.8020000000e-04  2.9124000000e-03 -3.4869000000e-03  1.1070000000e-03  4.2378000000e-03 -2.4637000000e-03 -9.9550000000e-04 -4.9297000000e-03
-
-JOB 507
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7045000000e-01  6.9823000000e-02 -6.7959800000e-01 -8.8259000000e-02 -9.4054800000e-01  1.5431300000e-01  1.8593370000e+00  6.8899600000e-01 -1.7833700000e+00  1.7093730000e+00  1.6285180000e+00 -1.8884450000e+00  2.6297350000e+00  6.3065900000e-01 -1.2182910000e+00
-ENERGY -1.526598859742e+02
-FORCES  1.0348800000e-02  2.5155000000e-03 -1.2658700000e-02 -5.2988000000e-03 -3.1520000000e-03  9.6301000000e-03  2.4612000000e-03  2.7850000000e-03 -1.7342000000e-03 -3.2565000000e-03  3.5481000000e-03  5.6120000000e-03  1.6938000000e-03 -5.2367000000e-03  1.0600000000e-03 -5.9486000000e-03 -4.5990000000e-04 -1.9091000000e-03
-
-JOB 508
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9031800000e-01 -1.5080600000e-01  3.1752600000e-01  3.7673400000e-01 -8.7600500000e-01 -8.3171000000e-02  2.5649500000e-01 -2.7976840000e+00  1.0686000000e-02  3.1048500000e-01 -3.1014640000e+00  9.1679500000e-01  1.0642610000e+00 -3.1112010000e+00 -3.9607300000e-01
-ENERGY -1.526594783134e+02
-FORCES -2.5231000000e-03 -1.4587300000e-02  1.2200000000e-04  2.0277000000e-03  1.8239000000e-03  1.2550000000e-04  3.1914000000e-03  8.3935000000e-03 -5.5440000000e-04  1.3741000000e-03 -1.2544000000e-03  2.4505000000e-03 -1.8590000000e-04  1.9738000000e-03 -4.9540000000e-03 -3.8842000000e-03  3.6504000000e-03  2.8104000000e-03
-
-JOB 509
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9717300000e-01 -3.2569300000e-01  7.2370000000e-02 -4.2945000000e-02  6.7257600000e-01 -6.7972800000e-01  2.1657440000e+00 -1.5340590000e+00 -2.5361900000e-01  1.3464760000e+00 -1.0393330000e+00 -2.7027000000e-01  2.6457350000e+00 -1.1783510000e+00  4.9425300000e-01
-ENERGY -1.526600214941e+02
-FORCES  2.9876000000e-03 -3.8760000000e-03 -1.8131000000e-03  4.5536000000e-03  2.7114000000e-03 -1.2162000000e-03  7.1000000000e-06 -4.5620000000e-03  3.5596000000e-03 -1.3736600000e-02  1.0632100000e-02  4.4520000000e-03  7.2428000000e-03 -4.2314000000e-03 -3.0259000000e-03 -1.0545000000e-03 -6.7420000000e-04 -1.9565000000e-03
-
-JOB 510
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6308900000e-01  2.2779300000e-01  8.9169900000e-01  3.9025000000e-02 -9.5640200000e-01 -1.7800000000e-03  2.2640630000e+00  1.6027500000e+00  5.1107600000e-01  1.4945750000e+00  1.0425600000e+00  4.0955000000e-01  3.0077750000e+00  1.0048480000e+00  4.3598900000e-01
-ENERGY -1.526584844988e+02
-FORCES -6.6980000000e-04 -3.1981000000e-03  2.0034000000e-03  6.2216000000e-03  8.4700000000e-05 -5.5612000000e-03 -1.5610000000e-04  5.0683000000e-03  5.9210000000e-04 -6.9901000000e-03 -9.4054000000e-03 -5.1702000000e-03  3.9765000000e-03  6.0638000000e-03  7.7230000000e-03 -2.3822000000e-03  1.3867000000e-03  4.1280000000e-04
-
-JOB 511
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2801000000e-02  6.5591300000e-01  6.9093900000e-01  5.9568100000e-01  4.0086900000e-01 -6.3300900000e-01 -1.1191290000e+00  1.3755710000e+00  2.1618990000e+00 -1.2188440000e+00  8.6593100000e-01  2.9659870000e+00 -2.0060750000e+00  1.6673840000e+00  1.9511780000e+00
-ENERGY -1.526610909043e+02
-FORCES -2.3385000000e-03  6.0589000000e-03  7.2859000000e-03  5.1821000000e-03 -4.1288000000e-03 -8.3909000000e-03 -2.5154000000e-03  6.4300000000e-05  3.0675000000e-03 -3.7704000000e-03 -3.8727000000e-03 -6.4330000000e-04 -4.7100000000e-04  2.9619000000e-03 -3.4474000000e-03  3.9131000000e-03 -1.0836000000e-03  2.1282000000e-03
-
-JOB 512
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0281500000e-01  3.8146700000e-01  7.8003500000e-01  3.8938900000e-01 -8.7166800000e-01 -6.9297000000e-02  1.3374970000e+00  1.9002170000e+00 -1.5295120000e+00  1.1032690000e+00  2.8203730000e+00 -1.4083360000e+00  6.3947900000e-01  1.4149550000e+00 -1.0895990000e+00
-ENERGY -1.526601033171e+02
-FORCES  6.4971000000e-03 -2.1518000000e-03  2.6550000000e-04 -2.1777000000e-03 -3.8820000000e-04 -5.3865000000e-03 -2.0943000000e-03  3.9200000000e-03  1.7815000000e-03 -7.4017000000e-03 -6.6525000000e-03  4.1001000000e-03 -1.9670000000e-04 -4.0259000000e-03  1.4462000000e-03  5.3732000000e-03  9.2984000000e-03 -2.2068000000e-03
-
-JOB 513
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9882700000e-01  4.9700500000e-01  5.5733600000e-01 -2.3889900000e-01 -9.1514100000e-01  1.4722700000e-01  1.7209530000e+00  3.1674110000e+00 -6.6045500000e-01  8.5183600000e-01  3.1465250000e+00 -2.5991700000e-01  2.2848340000e+00  2.7136170000e+00 -3.4084000000e-02
-ENERGY -1.526538061427e+02
-FORCES -4.0254000000e-03 -3.0218000000e-03  2.1854000000e-03  3.2705000000e-03 -9.2970000000e-04 -2.3131000000e-03  1.1027000000e-03  4.0122000000e-03 -5.8480000000e-04 -1.5911000000e-03 -4.4976000000e-03  3.6807000000e-03  2.8460000000e-03  1.2650000000e-03 -8.8830000000e-04 -1.6027000000e-03  3.1718000000e-03 -2.0800000000e-03
-
-JOB 514
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2433300000e-01 -8.1257300000e-01 -2.7549700000e-01  2.3455700000e-01  4.3766300000e-01 -8.1833100000e-01 -1.6643740000e+00  1.9257480000e+00  6.6477100000e-01 -1.0412030000e+00  1.2619930000e+00  3.6927200000e-01 -2.3745080000e+00  1.8904230000e+00  2.3918000000e-02
-ENERGY -1.526559415243e+02
-FORCES -6.4397000000e-03  2.6627000000e-03  2.7920000000e-04  2.1503000000e-03  5.3692000000e-03  2.7910000000e-04 -6.0624000000e-03 -9.8600000000e-05  6.4778000000e-03  1.0723600000e-02 -1.5876200000e-02 -4.1116000000e-03 -3.7523000000e-03  9.4844000000e-03 -3.7473000000e-03  3.3804000000e-03 -1.5415000000e-03  8.2280000000e-04
-
-JOB 515
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5091200000e-01 -7.3315100000e-01 -4.1880700000e-01  6.5336300000e-01  2.7814500000e-01 -6.4186000000e-01  1.7846760000e+00  7.0563800000e-01 -1.9109710000e+00  2.2624630000e+00 -1.0162000000e-02 -2.3299960000e+00  1.0393030000e+00  8.6756600000e-01 -2.4892690000e+00
-ENERGY -1.526577688489e+02
-FORCES  1.1856000000e-02  1.8390000000e-03 -1.0815900000e-02  2.0153000000e-03  2.6577000000e-03 -3.1720000000e-04 -1.0417100000e-02 -9.5090000000e-04  2.8498000000e-03 -2.1759000000e-03 -3.6391000000e-03  1.8000000000e-05 -3.8283000000e-03  3.7264000000e-03  1.5890000000e-03  2.5499000000e-03 -3.6331000000e-03  6.6764000000e-03
-
-JOB 516
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2469400000e-01 -5.6880400000e-01  7.5970000000e-01 -6.8416200000e-01  6.6431400000e-01  8.2714000000e-02 -1.3732890000e+00  2.2238410000e+00  3.9983400000e-01 -8.8801000000e-01  2.8570130000e+00  9.2882300000e-01 -1.8906460000e+00  2.7597710000e+00 -2.0129200000e-01
-ENERGY -1.526594194519e+02
-FORCES -9.4741000000e-03  1.2437600000e-02  3.1426000000e-03 -1.0770000000e-04  3.0195000000e-03 -1.4445000000e-03  3.2022000000e-03 -7.9755000000e-03 -1.1437000000e-03  7.2133000000e-03 -4.2088000000e-03 -1.2048000000e-03 -4.0932000000e-03 -1.5075000000e-03 -2.7705000000e-03  3.2595000000e-03 -1.7654000000e-03  3.4208000000e-03
-
-JOB 517
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8929800000e-01 -8.9895300000e-01 -2.6885100000e-01 -6.7014400000e-01 -8.8275000000e-02  6.7775100000e-01  1.6441870000e+00  9.6422800000e-01 -2.5991380000e+00  1.6281860000e+00  1.9050130000e+00 -2.7749200000e+00  1.3295930000e+00  8.8293200000e-01 -1.6987750000e+00
-ENERGY -1.526595538648e+02
-FORCES -3.8635000000e-03 -4.1585000000e-03  2.8334000000e-03 -4.3590000000e-04  4.8129000000e-03  1.4172000000e-03  2.6881000000e-03 -6.7610000000e-04 -2.7851000000e-03 -3.2132000000e-03  3.4160000000e-03  4.9464000000e-03  2.1250000000e-04 -3.1284000000e-03  4.1310000000e-04  4.6122000000e-03 -2.6580000000e-04 -6.8251000000e-03
-
-JOB 518
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5026200000e-01 -3.8053400000e-01  8.0544500000e-01 -4.8743000000e-02 -7.0891200000e-01 -6.4132700000e-01  4.4576400000e-01 -2.3883200000e+00 -1.2875490000e+00 -2.2010200000e-01 -2.0974260000e+00 -1.9106340000e+00  1.2742630000e+00 -2.2835940000e+00 -1.7553660000e+00
-ENERGY -1.526548848608e+02
-FORCES  2.7592000000e-03 -1.5546400000e-02 -2.1765000000e-03  5.4610000000e-04  1.9456000000e-03 -2.1075000000e-03 -5.5044000000e-03  6.2331000000e-03 -4.6069000000e-03  3.4877000000e-03  3.1889000000e-03 -1.3234000000e-03  3.9116000000e-03  4.5039000000e-03  8.2007000000e-03 -5.2002000000e-03 -3.2510000000e-04  2.0136000000e-03
-
-JOB 519
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5528500000e-01  7.2813000000e-01 -2.7877900000e-01 -4.6418700000e-01 -3.8485900000e-01  7.4340200000e-01  2.4900170000e+00 -4.9356700000e-01  7.0607100000e-01  2.6566020000e+00 -1.6704900000e-01  1.5903040000e+00  1.6100630000e+00 -1.8054900000e-01  4.9647200000e-01
-ENERGY -1.526582754847e+02
-FORCES  5.3197000000e-03  1.6900000000e-05  2.0747000000e-03  1.5301000000e-03 -4.5530000000e-03  2.5399000000e-03  4.0465000000e-03  3.7761000000e-03 -3.2452000000e-03 -1.4655600000e-02  5.5092000000e-03 -4.7590000000e-03 -2.7752000000e-03 -7.3920000000e-04 -2.5224000000e-03  6.5346000000e-03 -4.0101000000e-03  5.9120000000e-03
-
-JOB 520
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5349000000e-02 -8.9628500000e-01  3.3566200000e-01 -7.7051400000e-01  3.0724000000e-02 -5.6709400000e-01 -2.4945290000e+00 -7.7126600000e-01 -1.4518560000e+00 -3.2780290000e+00 -4.8254300000e-01 -9.8388300000e-01 -2.4608910000e+00 -2.1462800000e-01 -2.2298370000e+00
-ENERGY -1.526600610929e+02
-FORCES -8.4844000000e-03 -6.6758000000e-03 -3.7777000000e-03  1.2336000000e-03  2.9312000000e-03  2.3770000000e-04  6.7694000000e-03  5.3573000000e-03  2.0802000000e-03 -5.2227000000e-03  1.2332000000e-03 -1.6917000000e-03  4.4007000000e-03 -1.0819000000e-03 -2.5170000000e-03  1.3034000000e-03 -1.7641000000e-03  5.6685000000e-03
-
-JOB 521
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7862700000e-01 -5.9386800000e-01 -7.2914000000e-01 -3.1159700000e-01  8.5277300000e-01 -3.0317800000e-01  2.8084400000e+00 -2.8479100000e-01 -1.4453740000e+00  2.0735370000e+00 -7.7989900000e-01 -1.8073360000e+00  2.4090940000e+00  5.0441700000e-01 -1.0794430000e+00
-ENERGY -1.526534445669e+02
-FORCES -3.7211000000e-03 -3.1110000000e-04 -2.8802000000e-03  2.8530000000e-03  2.9534000000e-03  1.9841000000e-03  3.4100000000e-03 -3.8576000000e-03  8.4280000000e-04 -7.5296000000e-03  1.2600000000e-03  4.1008000000e-03  1.6016000000e-03  8.6670000000e-04 -2.1840000000e-04  3.3861000000e-03 -9.1130000000e-04 -3.8291000000e-03
-
-JOB 522
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8785800000e-01  3.4330900000e-01 -4.2148600000e-01 -1.4699300000e-01  1.4167300000e-01  9.3517600000e-01  1.0210390000e+00 -2.2986200000e+00 -9.1329800000e-01  6.7277900000e-01 -2.4660070000e+00 -1.7890420000e+00  4.5507100000e-01 -1.6139190000e+00 -5.5679100000e-01
-ENERGY -1.526584494845e+02
-FORCES  8.1990000000e-04 -2.8014000000e-03  1.5300000000e-05  4.1789000000e-03 -3.1312000000e-03  2.2040000000e-03  9.9000000000e-06 -7.2010000000e-04 -5.5440000000e-03 -6.3159000000e-03  1.3950700000e-02  3.8780000000e-03 -8.1200000000e-05  1.9278000000e-03  2.7656000000e-03  1.3884000000e-03 -9.2258000000e-03 -3.3188000000e-03
-
-JOB 523
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6863700000e-01  5.7580000000e-03 -4.0208000000e-01  1.5970900000e-01  2.1313800000e-01  9.1940000000e-01 -2.5812980000e+00  5.0088000000e-02 -7.0068400000e-01 -1.7427120000e+00 -4.1119200000e-01 -7.1574500000e-01 -2.4096410000e+00  8.4359300000e-01 -1.9362000000e-01
-ENERGY -1.526572387182e+02
-FORCES -3.8137000000e-03  7.1710000000e-04  4.7550000000e-04 -4.4179000000e-03  7.1500000000e-05  2.5017000000e-03 -4.3040000000e-04  1.4200000000e-04 -5.0287000000e-03  1.6342300000e-02  2.3882000000e-03  4.4795000000e-03 -4.7119000000e-03 -2.6717000000e-03 -2.6684000000e-03 -2.9684000000e-03 -6.4720000000e-04  2.4030000000e-04
-
-JOB 524
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0284300000e-01  9.1970400000e-01  1.7097200000e-01  1.3678200000e-01 -3.8086200000e-01  8.6744900000e-01  2.4207320000e+00 -3.6191000000e-02 -1.9310470000e+00  1.9826170000e+00  4.0064300000e-01 -1.2006610000e+00  1.8533560000e+00  1.2822500000e-01 -2.6842290000e+00
-ENERGY -1.526571241834e+02
-FORCES -2.4796000000e-03 -8.0370000000e-04  5.3940000000e-03  3.1740000000e-03 -4.1887000000e-03 -2.1466000000e-03 -6.5760000000e-04  2.5191000000e-03 -4.0213000000e-03 -8.9007000000e-03  4.3230000000e-04  2.7848000000e-03  6.0991000000e-03  2.0379000000e-03 -3.7442000000e-03  2.7649000000e-03  3.1000000000e-06  1.7332000000e-03
-
-JOB 525
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2640100000e-01 -4.4969400000e-01  6.6099100000e-01 -4.3538300000e-01 -7.0443300000e-01 -4.8005000000e-01  1.5520220000e+00 -2.1592780000e+00  1.0024110000e+00  1.7378690000e+00 -2.5537430000e+00  1.5030200000e-01  2.4086500000e+00 -1.8906770000e+00  1.3344860000e+00
-ENERGY -1.526587217627e+02
-FORCES  4.4502000000e-03 -1.2111600000e-02  4.5414000000e-03 -2.3679000000e-03  7.9171000000e-03 -1.5383000000e-03  1.0631000000e-03  2.3389000000e-03 -3.2970000000e-04  3.1007000000e-03  2.1280000000e-04 -4.8676000000e-03 -1.2855000000e-03  1.7221000000e-03  4.2382000000e-03 -4.9607000000e-03 -7.9300000000e-05 -2.0440000000e-03
-
-JOB 526
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5085100000e-01 -1.8165000000e-02 -1.0855100000e-01 -3.0925000000e-01 -7.7901600000e-01 -4.6231000000e-01 -1.7519930000e+00 -1.6849880000e+00 -9.4561300000e-01 -1.5522620000e+00 -1.9410780000e+00 -1.8460340000e+00 -2.7082960000e+00 -1.6763040000e+00 -9.0509000000e-01
-ENERGY -1.526556543855e+02
-FORCES -9.9378000000e-03 -8.9511000000e-03 -3.5105000000e-03 -4.4036000000e-03 -2.3681000000e-03 -1.6766000000e-03  8.5160000000e-03  2.3030000000e-03 -1.7056000000e-03  6.4590000000e-04  8.1687000000e-03  3.6400000000e-03  1.2154000000e-03  2.5314000000e-03  5.4955000000e-03  3.9641000000e-03 -1.6839000000e-03 -2.2428000000e-03
-
-JOB 527
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2542000000e-01 -1.5914300000e-01  8.4256900000e-01  6.8633500000e-01  3.8203400000e-01 -5.4701500000e-01  1.1470200000e+00 -7.4912100000e-01  2.4781030000e+00  4.4737100000e-01 -1.3990700000e+00  2.5435930000e+00  1.9299480000e+00 -1.2077700000e+00  2.7828920000e+00
-ENERGY -1.526604241469e+02
-FORCES  8.3865000000e-03 -2.6110000000e-04  7.8759000000e-03 -7.6618000000e-03 -4.4930000000e-04 -6.1333000000e-03 -1.7428000000e-03 -1.2219000000e-03  1.5467000000e-03  1.2072000000e-03 -4.0468000000e-03 -4.1750000000e-04  4.1270000000e-03  4.5728000000e-03 -2.3912000000e-03 -4.3161000000e-03  1.4063000000e-03 -4.8060000000e-04
-
-JOB 528
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1820100000e-01  6.2959400000e-01 -5.0130900000e-01 -5.7170400000e-01  5.4011000000e-01  5.4558900000e-01 -2.7539230000e+00  1.7830070000e+00 -1.1965690000e+00 -3.3138570000e+00  1.9770910000e+00 -1.9482580000e+00 -1.9413420000e+00  1.4542930000e+00 -1.5811350000e+00
-ENERGY -1.526561617267e+02
-FORCES  2.0920000000e-04  4.2112000000e-03  2.9850000000e-03 -3.5315000000e-03 -2.6447000000e-03  7.4320000000e-04  3.6991000000e-03 -2.6593000000e-03 -3.2294000000e-03  1.5190000000e-04 -1.7548000000e-03 -5.2009000000e-03  2.5708000000e-03 -8.5110000000e-04  2.8614000000e-03 -3.0995000000e-03  3.6988000000e-03  1.8407000000e-03
-
-JOB 529
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3628200000e-01  4.6167100000e-01 -7.6811900000e-01 -1.5444000000e-01 -8.9380500000e-01 -3.0576500000e-01  3.3924210000e+00  1.4056970000e+00  1.4000150000e+00  2.8091600000e+00  1.5566300000e+00  6.5620300000e-01  3.4784760000e+00  4.5359000000e-01  1.4481710000e+00
-ENERGY -1.526543829786e+02
-FORCES -1.2623000000e-03 -2.3692000000e-03 -4.7155000000e-03  3.4800000000e-05 -1.6444000000e-03  4.0570000000e-03  9.2670000000e-04  3.9272000000e-03  1.3862000000e-03 -3.9192000000e-03 -4.0439000000e-03 -2.1405000000e-03  3.3345000000e-03  3.2490000000e-04  1.6853000000e-03  8.8550000000e-04  3.8055000000e-03 -2.7250000000e-04
-
-JOB 530
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9039600000e-01  5.3890800000e-01  3.2933000000e-02  4.1995000000e-02 -4.1725300000e-01  8.6044700000e-01 -2.3004010000e+00  1.2256780000e+00 -6.5104700000e-01 -3.0114280000e+00  7.5070200000e-01 -2.2084900000e-01 -2.3454650000e+00  9.4807600000e-01 -1.5660000000e+00
-ENERGY -1.526594347206e+02
-FORCES -1.2450900000e-02  7.8424000000e-03 -1.8310000000e-03  8.1489000000e-03 -6.2979000000e-03  4.0830000000e-03 -2.7184000000e-03  1.9777000000e-03 -2.6235000000e-03  3.0169000000e-03 -6.6284000000e-03 -3.3241000000e-03  5.1317000000e-03  1.5325000000e-03 -1.4338000000e-03 -1.1282000000e-03  1.5738000000e-03  5.1294000000e-03
-
-JOB 531
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4173500000e-01  1.0495000000e-01  8.4266700000e-01  6.9362500000e-01  6.5957400000e-01  8.8530000000e-03 -9.8958600000e-01 -8.8582200000e-01  2.4778190000e+00 -8.0388600000e-01 -6.5489100000e-01  3.3879940000e+00 -1.9276290000e+00 -1.0759390000e+00  2.4650550000e+00
-ENERGY -1.526588205161e+02
-FORCES -1.4753000000e-03 -1.4486000000e-03  9.9685000000e-03  1.3127000000e-03  4.3964000000e-03 -8.6068000000e-03 -2.2876000000e-03 -2.2007000000e-03  1.0997000000e-03 -1.4163000000e-03 -1.7337000000e-03  2.0835000000e-03 -1.1414000000e-03 -9.8110000000e-04 -4.6349000000e-03  5.0078000000e-03  1.9677000000e-03  9.0000000000e-05
-
-JOB 532
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6351000000e-02  9.3673100000e-01  1.9351000000e-01 -8.8104100000e-01 -3.1961000000e-01  1.9454700000e-01 -2.5382540000e+00 -1.4191430000e+00  4.1173400000e-01 -3.1588840000e+00 -1.0496720000e+00  1.0398600000e+00 -2.9955760000e+00 -1.3809950000e+00 -4.2828500000e-01
-ENERGY -1.526608708554e+02
-FORCES -8.1750000000e-03 -2.6250000000e-03  2.6001000000e-03 -1.0340000000e-03 -3.2748000000e-03 -3.6800000000e-04  8.6840000000e-03  6.9999000000e-03 -2.3709000000e-03 -5.4366000000e-03 -1.0617000000e-03 -9.4220000000e-04  3.5232000000e-03 -8.8350000000e-04 -3.7636000000e-03  2.4384000000e-03  8.4510000000e-04  4.8445000000e-03
-
-JOB 533
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8761600000e-01 -1.1193900000e-01 -8.6801800000e-01 -4.9281500000e-01 -8.0701200000e-01  1.4864700000e-01 -2.0953380000e+00  2.1323790000e+00  3.6952200000e-01 -2.9994930000e+00  1.8185080000e+00  3.8439700000e-01 -1.5710670000e+00  1.3466670000e+00  2.1451100000e-01
-ENERGY -1.526598405450e+02
-FORCES  3.4503000000e-03 -4.4167000000e-03 -3.4435000000e-03 -2.2110000000e-03 -2.4920000000e-04  4.4889000000e-03  5.7120000000e-04  5.7074000000e-03 -1.2002000000e-03  3.9985000000e-03 -6.3064000000e-03 -9.4510000000e-04  3.6511000000e-03 -1.2570000000e-04 -1.9100000000e-04 -9.4600000000e-03  5.3905000000e-03  1.2909000000e-03
-
-JOB 534
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0824000000e-01 -6.2048700000e-01  5.2241700000e-01  1.2589200000e-01  8.4188600000e-01  4.3773500000e-01  7.0632600000e-01  2.0766180000e+00  1.5228590000e+00  1.1783110000e+00  2.8605220000e+00  1.2418690000e+00  1.0738140000e+00  1.8703840000e+00  2.3823080000e+00
-ENERGY -1.526584612733e+02
-FORCES  6.3830000000e-03  1.2090200000e-02  1.1203100000e-02 -1.2851000000e-03  1.1400000000e-03 -7.8530000000e-04 -3.0266000000e-03 -4.6466000000e-03 -5.1514000000e-03  5.3010000000e-04 -6.1915000000e-03 -3.2648000000e-03 -1.8822000000e-03 -4.1246000000e-03  2.5364000000e-03 -7.1930000000e-04  1.7325000000e-03 -4.5380000000e-03
-
-JOB 535
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7252900000e-01 -3.9196500000e-01 -3.5889000000e-02 -3.4749400000e-01 -1.0639500000e-01 -8.8552800000e-01 -8.8017600000e-01 -7.7114000000e-02 -2.5274220000e+00 -1.8110240000e+00  1.3676200000e-01 -2.5907490000e+00 -4.4960100000e-01  5.5114300000e-01 -3.1071890000e+00
-ENERGY -1.526601298605e+02
-FORCES -3.8728000000e-03 -2.2476000000e-03 -1.6582800000e-02 -2.2237000000e-03  1.4948000000e-03 -1.1663000000e-03  1.9457000000e-03  2.7570000000e-04  9.7352000000e-03  1.5805000000e-03  4.1537000000e-03  5.1247000000e-03  5.5539000000e-03 -3.3330000000e-04  4.0140000000e-04 -2.9835000000e-03 -3.3433000000e-03  2.4878000000e-03
-
-JOB 536
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3675900000e-01 -6.9241700000e-01  4.9601700000e-01  8.2543600000e-01 -3.9253500000e-01 -2.8425800000e-01 -1.2539790000e+00  8.4120600000e-01  3.3946190000e+00 -1.1789790000e+00  1.6217950000e+00  3.9435160000e+00 -4.8557200000e-01  3.1597900000e-01  3.6180500000e+00
-ENERGY -1.526537364967e+02
-FORCES  1.5240000000e-04 -4.0978000000e-03  1.1080000000e-03  2.9224000000e-03  1.9797000000e-03 -2.5187000000e-03 -3.2296000000e-03  1.8137000000e-03  1.6151000000e-03  4.0260000000e-03  2.4352000000e-03  2.4749000000e-03 -3.7280000000e-04 -3.3273000000e-03 -1.8414000000e-03 -3.4984000000e-03  1.1964000000e-03 -8.3790000000e-04
-
-JOB 537
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1968500000e-01 -7.4309900000e-01  5.6193800000e-01 -4.6112700000e-01  6.0899900000e-01  5.7681400000e-01 -2.0880740000e+00 -9.3846000000e-01 -1.4685450000e+00 -1.3723650000e+00 -8.7385700000e-01 -8.3623200000e-01 -2.1550390000e+00 -6.1234000000e-02 -1.8456680000e+00
-ENERGY -1.526570421475e+02
-FORCES -3.5095000000e-03  2.4520000000e-04  1.3344000000e-03 -4.7353000000e-03  3.0858000000e-03 -5.0117000000e-03  1.5117000000e-03 -4.0974000000e-03 -4.0754000000e-03  1.4467500000e-02  9.2629000000e-03  6.2280000000e-03 -6.2057000000e-03 -6.5892000000e-03  6.2240000000e-04 -1.5286000000e-03 -1.9073000000e-03  9.0240000000e-04
-
-JOB 538
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6108000000e-02 -8.0085000000e-01 -5.1872700000e-01 -1.0445100000e-01 -2.9017100000e-01  9.0615800000e-01 -1.6186510000e+00  1.5392410000e+00 -1.4802920000e+00 -2.2588580000e+00  1.8419010000e+00 -8.3627000000e-01 -1.1302680000e+00  8.5126900000e-01 -1.0281770000e+00
-ENERGY -1.526567351412e+02
-FORCES -3.9289000000e-03  1.7402000000e-03  2.9100000000e-05 -2.8783000000e-03  7.2818000000e-03  1.9390000000e-03  6.8610000000e-04  7.7030000000e-04 -5.0640000000e-03  8.8818000000e-03 -7.2886000000e-03  1.3015500000e-02  1.6550000000e-03 -9.4990000000e-04 -1.4159000000e-03 -4.4157000000e-03 -1.5538000000e-03 -8.5037000000e-03
-
-JOB 539
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7091000000e-02 -9.4837000000e-02 -9.5176800000e-01 -8.4972300000e-01 -3.6646400000e-01  2.4475800000e-01 -1.7701810000e+00  2.4420070000e+00  1.2202270000e+00 -8.7147400000e-01  2.5710880000e+00  9.1708500000e-01 -2.3051000000e+00  2.9454920000e+00  6.0655300000e-01
-ENERGY -1.526568396213e+02
-FORCES -5.1724000000e-03 -2.4711000000e-03 -1.5327000000e-03 -2.9410000000e-04  1.1078000000e-03  3.8144000000e-03  4.5726000000e-03 -1.7680000000e-04 -2.2061000000e-03  3.9117000000e-03  1.5764000000e-03 -4.0548000000e-03 -5.0238000000e-03  2.3816000000e-03  1.9261000000e-03  2.0060000000e-03 -2.4179000000e-03  2.0531000000e-03
-
-JOB 540
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9245300000e-01 -8.4395700000e-01 -4.0857100000e-01 -8.5090400000e-01  3.2241800000e-01  2.9705500000e-01 -2.8204670000e+00 -1.9201410000e+00 -1.5607750000e+00 -3.1225360000e+00 -2.5964200000e+00 -9.5444800000e-01 -3.3080360000e+00 -1.1361390000e+00 -1.3080900000e+00
-ENERGY -1.526560944934e+02
-FORCES -4.8506000000e-03 -3.2058000000e-03 -1.8587000000e-03  2.6242000000e-03  4.0894000000e-03  3.2036000000e-03  2.8953000000e-03 -5.8970000000e-04 -6.4820000000e-04 -5.5822000000e-03 -4.4520000000e-04  1.9343000000e-03  1.8882000000e-03  3.3846000000e-03 -2.3866000000e-03  3.0251000000e-03 -3.2334000000e-03 -2.4440000000e-04
-
-JOB 541
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4006700000e-01 -4.5387800000e-01 -6.7181000000e-02 -6.2784000000e-01 -6.8840800000e-01  2.1941600000e-01 -2.1918260000e+00 -1.5804370000e+00  1.1650060000e+00 -2.2554280000e+00 -1.2559740000e+00  2.0632880000e+00 -3.0891760000e+00 -1.8181890000e+00  9.3161900000e-01
-ENERGY -1.526616694114e+02
-FORCES -4.2622000000e-03 -6.4532000000e-03  1.8637000000e-03 -3.1325000000e-03  9.9160000000e-04  6.5140000000e-04  8.3840000000e-03  5.1817000000e-03 -2.9349000000e-03 -4.0927000000e-03  1.5354000000e-03  2.2990000000e-03 -4.7260000000e-04 -2.2571000000e-03 -4.2196000000e-03  3.5760000000e-03  1.0016000000e-03  2.3404000000e-03
-
-JOB 542
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0669100000e-01  5.5427800000e-01  6.6604000000e-01 -6.5455500000e-01 -5.0892900000e-01  4.7831100000e-01  2.4335150000e+00 -6.2453400000e-01 -1.2506320000e+00  1.6456620000e+00 -4.5045500000e-01 -7.3564000000e-01  2.1051620000e+00 -8.7922500000e-01 -2.1129240000e+00
-ENERGY -1.526602458353e+02
-FORCES -3.1110000000e-04 -1.3262000000e-03  2.7613000000e-03 -3.8530000000e-04 -5.0585000000e-03 -4.5958000000e-03  2.9101000000e-03  3.5856000000e-03 -1.7769000000e-03 -1.3057600000e-02  8.7040000000e-04  1.8162000000e-03  9.5069000000e-03  1.6829000000e-03 -3.3720000000e-04  1.3371000000e-03  2.4580000000e-04  2.1322000000e-03
-
-JOB 543
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3018600000e-01 -2.5308400000e-01  7.5570000000e-01 -5.6142900000e-01 -1.7283800000e-01 -7.5574900000e-01 -1.2625090000e+00 -4.9061700000e-01 -2.2885640000e+00 -1.6290030000e+00  3.0362200000e-01 -2.6772800000e+00 -1.4708290000e+00 -1.1829730000e+00 -2.9158430000e+00
-ENERGY -1.526593576898e+02
-FORCES -7.7316000000e-03 -4.7110000000e-03 -1.1519600000e-02  5.9330000000e-04  2.5990000000e-04 -3.1801000000e-03  2.0235000000e-03  4.9277000000e-03  6.7092000000e-03  3.8813000000e-03 -5.2650000000e-04  4.6110000000e-03  1.5579000000e-03 -4.8338000000e-03  2.0137000000e-03 -3.2440000000e-04  4.8837000000e-03  1.3658000000e-03
-
-JOB 544
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4835600000e-01 -4.8651500000e-01  6.9174600000e-01 -6.9431300000e-01  4.9712800000e-01 -4.3246400000e-01  1.9375830000e+00 -8.0950000000e-01 -1.7396580000e+00  2.4980950000e+00 -3.3839000000e-02 -1.7598770000e+00  1.2537310000e+00 -5.9494800000e-01 -1.1051930000e+00
-ENERGY -1.526610178869e+02
-FORCES  2.3390000000e-04 -2.3210000000e-03 -2.6708000000e-03  9.7700000000e-04  3.3143000000e-03 -3.7757000000e-03  3.3106000000e-03 -2.7752000000e-03  2.9632000000e-03 -8.5584000000e-03  5.6496000000e-03  1.0348700000e-02 -2.1319000000e-03 -1.6382000000e-03 -1.1300000000e-05  6.1688000000e-03 -2.2296000000e-03 -6.8541000000e-03
-
-JOB 545
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2625900000e-01  6.8302200000e-01  5.8589100000e-01 -6.8044000000e-01  4.3177700000e-01 -5.1652800000e-01 -9.5781000000e-01 -2.2189670000e+00  1.0961660000e+00 -4.3671500000e-01 -1.5656360000e+00  6.2942200000e-01 -3.3352900000e-01 -2.9096790000e+00  1.3184770000e+00
-ENERGY -1.526600848580e+02
-FORCES -5.6761000000e-03 -3.3209000000e-03  5.1552000000e-03 -1.8246000000e-03 -2.4217000000e-03 -3.7104000000e-03  3.9890000000e-03 -1.0035000000e-03  3.0612000000e-03  6.6600000000e-03  1.2139800000e-02 -6.5808000000e-03 -2.8520000000e-03 -9.2824000000e-03  3.2255000000e-03 -2.9640000000e-04  3.8888000000e-03 -1.1507000000e-03
-
-JOB 546
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9640400000e-01  4.5009700000e-01 -6.8354000000e-01  8.0423800000e-01  5.1142300000e-01  8.8772000000e-02 -2.0074220000e+00 -1.2479760000e+00  1.4937910000e+00 -1.1430220000e+00 -9.2148100000e-01  1.2439020000e+00 -2.2805370000e+00 -6.7817800000e-01  2.2127980000e+00
-ENERGY -1.526607154256e+02
-FORCES -2.5787000000e-03  1.9304000000e-03 -2.0712000000e-03  4.0976000000e-03 -9.5360000000e-04  3.0747000000e-03 -4.4125000000e-03 -1.6365000000e-03 -6.9250000000e-04  8.3831000000e-03  6.1479000000e-03 -2.9739000000e-03 -6.7092000000e-03 -4.2657000000e-03  5.1609000000e-03  1.2197000000e-03 -1.2225000000e-03 -2.4980000000e-03
-
-JOB 547
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8843200000e-01  5.3891000000e-01 -6.4681000000e-02 -7.0363400000e-01  5.6481100000e-01 -3.1956200000e-01  2.0771060000e+00  1.3380150000e+00 -6.4376000000e-01  2.0044350000e+00  1.8402080000e+00 -1.4553960000e+00  2.7351970000e+00  6.6930100000e-01 -8.3341700000e-01
-ENERGY -1.526556896188e+02
-FORCES  1.8188800000e-02  1.5352300000e-02 -6.4503000000e-03 -3.8988000000e-03 -6.1244000000e-03  2.9736000000e-03  2.5792000000e-03 -5.9590000000e-04 -1.4190000000e-04 -1.3567800000e-02 -9.5500000000e-03 -9.6260000000e-04  1.1895000000e-03 -2.9050000000e-03  3.8265000000e-03 -4.4909000000e-03  3.8229000000e-03  7.5470000000e-04
-
-JOB 548
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5632500000e-01 -2.7821300000e-01 -8.4371900000e-01 -9.0974500000e-01 -2.9732400000e-01 -1.3903000000e-02 -2.5096970000e+00 -6.8459600000e-01 -1.1381000000e+00 -2.2745490000e+00 -1.5344510000e+00 -1.5105010000e+00 -3.3263580000e+00 -8.4713100000e-01 -6.6599900000e-01
-ENERGY -1.526584253229e+02
-FORCES -1.0622400000e-02 -2.1371000000e-03 -7.7192000000e-03 -8.3600000000e-05 -1.2140000000e-04  2.4847000000e-03  7.1394000000e-03 -3.5760000000e-04  5.2404000000e-03 -1.7998000000e-03 -2.7930000000e-03 -1.1631000000e-03  2.1940000000e-04  4.8840000000e-03  2.9223000000e-03  5.1471000000e-03  5.2500000000e-04 -1.7650000000e-03
-
-JOB 549
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5600000000e-01  9.4377000000e-01 -3.4551000000e-02  6.5994600000e-01 -1.0925100000e-01  6.8466600000e-01 -1.8276070000e+00 -1.8784130000e+00  5.0890300000e-01 -1.4394070000e+00 -2.4833030000e+00  1.1410740000e+00 -1.1199310000e+00 -1.2716260000e+00  2.9156300000e-01
-ENERGY -1.526583295659e+02
-FORCES -6.2856000000e-03 -1.0266000000e-03  3.3780000000e-03  2.8102000000e-03 -4.3759000000e-03  8.4720000000e-04 -4.9323000000e-03 -5.2310000000e-04 -3.0187000000e-03  1.1270800000e-02  1.1191700000e-02 -3.2345000000e-03  7.5980000000e-04  3.2683000000e-03 -1.7349000000e-03 -3.6229000000e-03 -8.5344000000e-03  3.7629000000e-03
-
-JOB 550
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7089100000e-01 -7.0698800000e-01  4.4120400000e-01  9.1302500000e-01 -1.2029000000e-01  2.6104900000e-01 -1.3073600000e+00 -1.5776750000e+00 -2.1483490000e+00 -1.0114900000e+00 -1.0043290000e+00 -1.4412650000e+00 -8.2322400000e-01 -1.2788430000e+00 -2.9181180000e+00
-ENERGY -1.526584405275e+02
-FORCES  4.2961000000e-03 -3.2310000000e-03  3.7110000000e-03  1.1898000000e-03  3.1315000000e-03 -7.3703000000e-03 -4.5196000000e-03  8.3770000000e-04 -4.8890000000e-04  6.5755000000e-03  7.9488000000e-03  1.9153000000e-03 -5.8432000000e-03 -7.0124000000e-03  4.5410000000e-04 -1.6984000000e-03 -1.6746000000e-03  1.7788000000e-03
-
-JOB 551
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0741100000e-01 -4.5865400000e-01  2.3228400000e-01 -4.3609000000e-01 -5.8202400000e-01 -6.2233900000e-01 -1.4856460000e+00 -1.9686350000e+00 -1.6325020000e+00 -1.2350410000e+00 -2.8638560000e+00 -1.8605560000e+00 -1.8435180000e+00 -2.0376880000e+00 -7.4740800000e-01
-ENERGY -1.526593637939e+02
-FORCES  3.2100000000e-04 -6.3339000000e-03 -6.8315000000e-03 -2.8977000000e-03  1.1374000000e-03 -4.3840000000e-04  1.5920000000e-04  4.0867000000e-03  9.1063000000e-03 -1.4152000000e-03 -5.5379000000e-03  1.0863000000e-03 -1.6556000000e-03  4.0615000000e-03  1.7527000000e-03  5.4884000000e-03  2.5861000000e-03 -4.6755000000e-03
-
-JOB 552
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4490300000e-01  2.3357200000e-01 -3.8446800000e-01  6.4693600000e-01  3.3242000000e-01 -6.2225600000e-01  1.2744000000e+00 -2.5918080000e+00  1.7239310000e+00  1.0114590000e+00 -1.7817460000e+00  2.1608460000e+00  7.3980800000e-01 -2.6209460000e+00  9.3046200000e-01
-ENERGY -1.526582659908e+02
-FORCES -4.5960000000e-04  3.9850000000e-03 -4.7470000000e-03  3.8445000000e-03 -1.3316000000e-03  1.5421000000e-03 -3.3732000000e-03 -1.4030000000e-03  2.4841000000e-03 -4.6472000000e-03  6.0578000000e-03 -3.0100000000e-03  2.0359000000e-03 -4.2313000000e-03  7.3060000000e-04  2.5996000000e-03 -3.0769000000e-03  3.0002000000e-03
-
-JOB 553
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1657600000e-01 -1.2220300000e-01  9.2433400000e-01 -4.0139600000e-01 -8.2792200000e-01 -2.6392800000e-01 -8.0912000000e-01 -2.2146220000e+00 -1.6418380000e+00 -8.1494900000e-01 -1.9103220000e+00 -2.5493620000e+00 -1.5528200000e-01 -2.9135600000e+00 -1.6272730000e+00
-ENERGY -1.526609797221e+02
-FORCES -3.3931000000e-03 -7.7064000000e-03 -2.9909000000e-03 -7.2600000000e-04 -1.1942000000e-03 -3.5192000000e-03  3.3844000000e-03  7.3479000000e-03  7.2390000000e-03  3.6216000000e-03  9.4060000000e-04 -4.7882000000e-03  1.5510000000e-04 -2.8731000000e-03  3.8391000000e-03 -3.0420000000e-03  3.4852000000e-03  2.2030000000e-04
-
-JOB 554
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0623000000e-01  2.6374900000e-01  8.6769300000e-01  1.7856700000e-01  7.5704400000e-01 -5.5788000000e-01 -2.3673060000e+00 -1.2733360000e+00  3.3577100000e-01 -1.6013170000e+00 -7.9438500000e-01  1.9385000000e-02 -3.0167060000e+00 -1.1742670000e+00 -3.6043000000e-01
-ENERGY -1.526604660934e+02
-FORCES -3.1131000000e-03  6.5020000000e-04  3.7228000000e-03 -7.3530000000e-04 -1.8250000000e-04 -5.3452000000e-03 -1.2859000000e-03 -3.5334000000e-03  3.2226000000e-03  1.1429800000e-02  6.5009000000e-03 -3.5567000000e-03 -9.6400000000e-03 -4.4358000000e-03  7.5450000000e-04  3.3445000000e-03  1.0006000000e-03  1.2021000000e-03
-
-JOB 555
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6320700000e-01 -4.0930200000e-01 -8.2427300000e-01 -8.2407700000e-01  1.7982200000e-01  4.5254000000e-01 -7.0344600000e-01 -3.6469680000e+00 -1.9448600000e-01 -6.8236200000e-01 -3.4181660000e+00  7.3472700000e-01 -1.5120110000e+00 -4.1483050000e+00 -2.9991000000e-01
-ENERGY -1.526556165590e+02
-FORCES -4.3133000000e-03 -2.0631000000e-03 -2.7467000000e-03  9.9710000000e-04  3.6821000000e-03  3.3012000000e-03  3.2647000000e-03 -8.4040000000e-04 -1.1983000000e-03 -2.0893000000e-03 -1.8046000000e-03  4.3260000000e-03 -1.0831000000e-03 -1.5849000000e-03 -4.0301000000e-03  3.2239000000e-03  2.6109000000e-03  3.4790000000e-04
-
-JOB 556
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1043700000e-01 -9.4997300000e-01 -3.9842000000e-02 -3.8687900000e-01  2.5161800000e-01  8.3859700000e-01 -8.9867500000e-01  1.3449040000e+00  2.1866340000e+00 -1.3596520000e+00  2.0903930000e+00  1.8019560000e+00 -1.4868380000e+00  1.0263910000e+00  2.8713560000e+00
-ENERGY -1.526604388232e+02
-FORCES -4.0385000000e-03  4.5791000000e-03  1.1588600000e-02 -6.0680000000e-04  3.1708000000e-03  2.0088000000e-03  2.0996000000e-03 -5.7920000000e-03 -9.1787000000e-03 -1.7774000000e-03  1.2642000000e-03 -3.0347000000e-03  1.7090000000e-03 -4.5241000000e-03  2.9017000000e-03  2.6141000000e-03  1.3021000000e-03 -4.2857000000e-03
-
-JOB 557
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6968200000e-01  9.1629200000e-01 -6.2550000000e-02  6.0186800000e-01 -3.8433100000e-01  6.3739800000e-01  2.2378100000e-01 -2.2132590000e+00 -2.0510620000e+00  3.3802300000e-01 -1.2698020000e+00 -1.9367350000e+00 -4.0612500000e-01 -2.4624190000e+00 -1.3747700000e+00
-ENERGY -1.526591188011e+02
-FORCES  3.3085000000e-03  1.8081000000e-03  4.1113000000e-03 -6.2510000000e-04 -4.7336000000e-03 -4.5350000000e-04 -3.1919000000e-03  1.9608000000e-03 -3.1050000000e-03 -3.7678000000e-03  7.1737000000e-03  6.7935000000e-03  1.9393000000e-03 -4.3721000000e-03 -5.0369000000e-03  2.3370000000e-03 -1.8369000000e-03 -2.3093000000e-03
-
-JOB 558
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2754300000e-01 -8.4901100000e-01  1.1233200000e-01 -5.5775000000e-01 -1.1215200000e-01 -7.6978500000e-01  3.2852400000e+00  6.3039900000e-01 -4.9645900000e-01  3.0515140000e+00  7.1217500000e-01  4.2815800000e-01  2.4741470000e+00  8.2276200000e-01 -9.6694500000e-01
-ENERGY -1.526578493223e+02
-FORCES -2.4385000000e-03 -5.3702000000e-03 -1.7910000000e-03 -1.8068000000e-03  4.5444000000e-03 -4.6590000000e-04  3.1462000000e-03  7.0890000000e-04  3.0363000000e-03 -6.7582000000e-03  2.4779000000e-03  2.5530000000e-03  2.4336000000e-03 -1.2659000000e-03 -2.9807000000e-03  5.4237000000e-03 -1.0951000000e-03 -3.5180000000e-04
-
-JOB 559
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4238300000e-01 -5.6189700000e-01  2.2219600000e-01 -6.4505700000e-01 -5.9474400000e-01 -3.8264000000e-01  1.5898570000e+00 -2.0817660000e+00  1.0767760000e+00  2.3719690000e+00 -1.5653700000e+00  1.2713770000e+00  9.9303600000e-01 -1.8958640000e+00  1.8016730000e+00
-ENERGY -1.526587724257e+02
-FORCES  5.6761000000e-03 -1.2242600000e-02  1.8270000000e-04 -2.8287000000e-03  8.5998000000e-03  1.4261000000e-03  1.1121000000e-03  2.2838000000e-03  1.8366000000e-03 -6.4670000000e-04  1.4404000000e-03  5.3168000000e-03 -6.3232000000e-03 -4.7540000000e-04 -2.8955000000e-03  3.0103000000e-03  3.9400000000e-04 -5.8667000000e-03
-
-JOB 560
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0181600000e-01  8.0746000000e-02 -6.4588400000e-01  8.0587200000e-01  8.7582000000e-02 -5.0904900000e-01 -7.7718900000e-01  2.2370760000e+00  1.3449870000e+00 -4.3800000000e-01  1.4458680000e+00  9.2644900000e-01 -1.1617200000e-01  2.4649790000e+00  1.9987060000e+00
-ENERGY -1.526604136769e+02
-FORCES -7.5480000000e-04  3.6689000000e-03 -2.6546000000e-03  4.6231000000e-03  1.3198000000e-03  4.5956000000e-03 -4.5534000000e-03  1.7300000000e-05  2.6979000000e-03  6.6438000000e-03 -1.3081100000e-02 -4.7131000000e-03 -5.0347000000e-03  9.4358000000e-03  2.6308000000e-03 -9.2390000000e-04 -1.3607000000e-03 -2.5566000000e-03
-
-JOB 561
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8778200000e-01 -5.7738300000e-01 -3.3138600000e-01  7.7652300000e-01 -2.3582300000e-01 -5.0757400000e-01  7.6727100000e-01  2.4005100000e-01  2.3873090000e+00  1.5096610000e+00 -3.6250000000e-01  2.4322620000e+00  4.2644200000e-01  1.3509300000e-01  1.4990240000e+00
-ENERGY -1.526545305748e+02
-FORCES  5.2207000000e-03 -6.4580000000e-04  1.6607000000e-02  5.2130000000e-03  2.6781000000e-03  7.2360000000e-04 -4.5809000000e-03 -2.6860000000e-04  4.1841000000e-03 -8.5972000000e-03 -3.8099000000e-03 -2.4347300000e-02 -1.9294000000e-03  1.3296000000e-03 -2.6699000000e-03  4.6738000000e-03  7.1660000000e-04  5.5026000000e-03
-
-JOB 562
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3649200000e-01  6.4249100000e-01  6.2466800000e-01 -4.7355800000e-01 -8.0591900000e-01  2.0608100000e-01 -1.4749750000e+00 -1.3229950000e+00  2.0167780000e+00 -1.5932600000e+00 -2.1300290000e+00  1.5158420000e+00 -7.1516600000e-01 -1.4949530000e+00  2.5729720000e+00
-ENERGY -1.526553183951e+02
-FORCES -9.6277000000e-03 -2.8277000000e-03  1.1115900000e-02  3.3968000000e-03  9.0680000000e-04 -2.6992000000e-03  2.6956000000e-03 -3.4321000000e-03 -4.6841000000e-03  4.3456000000e-03 -2.0870000000e-03  3.5350000000e-04  3.0498000000e-03  6.3126000000e-03 -6.9160000000e-04 -3.8602000000e-03  1.1273000000e-03 -3.3945000000e-03
-
-JOB 563
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7193000000e-01 -1.5281400000e-01  9.2915000000e-01 -8.6801500000e-01  3.7015000000e-02 -4.0176100000e-01 -6.3214800000e-01 -2.7364600000e-01  2.7559340000e+00 -2.5713500000e-01  4.7005300000e-01  3.2276430000e+00 -1.5787170000e+00 -1.5181900000e-01  2.8294060000e+00
-ENERGY -1.526606738889e+02
-FORCES -4.7064000000e-03 -2.1777000000e-03  1.1260700000e-02  1.9412000000e-03  2.2065000000e-03 -1.0573700000e-02  2.0221000000e-03  4.4000000000e-06  2.0109000000e-03 -1.6828000000e-03  3.8209000000e-03  1.6398000000e-03 -2.6495000000e-03 -3.8309000000e-03 -2.8157000000e-03  5.0755000000e-03 -2.3200000000e-05 -1.5220000000e-03
-
-JOB 564
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9098400000e-01  5.1427300000e-01 -1.6155400000e-01 -2.1418700000e-01 -5.3631100000e-01  7.6336500000e-01 -2.6018330000e+00  1.4652850000e+00 -5.7906700000e-01 -2.8777520000e+00  1.6663080000e+00  3.1518800000e-01 -3.3973460000e+00  1.1550280000e+00 -1.0116550000e+00
-ENERGY -1.526601769326e+02
-FORCES -7.8348000000e-03  2.1267000000e-03 -5.9780000000e-04  8.3312000000e-03 -3.7969000000e-03  4.5848000000e-03  2.4920000000e-04  2.1098000000e-03 -2.2133000000e-03 -6.2023000000e-03 -4.3900000000e-05 -5.5680000000e-04  2.5310000000e-03 -2.6003000000e-03 -4.1535000000e-03  2.9257000000e-03  2.2047000000e-03  2.9365000000e-03
-
-JOB 565
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7060800000e-01  9.8785000000e-02 -3.8537700000e-01  5.2850000000e-02  6.9592700000e-01  6.5507600000e-01 -2.6433900000e-01  2.0423040000e+00  1.7994120000e+00  3.5783600000e-01  2.7510860000e+00  1.6358310000e+00 -4.0092000000e-02  1.7230920000e+00  2.6735100000e+00
-ENERGY -1.526606164075e+02
-FORCES -4.8494000000e-03  1.2562500000e-02  9.3228000000e-03  2.2816000000e-03 -5.2860000000e-04  5.9090000000e-04  3.7328000000e-03 -7.5492000000e-03 -5.1679000000e-03  1.9566000000e-03 -9.4450000000e-04  1.2220000000e-04 -2.8887000000e-03 -4.9808000000e-03  9.1370000000e-04 -2.3280000000e-04  1.4407000000e-03 -5.7817000000e-03
-
-JOB 566
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9609000000e-01  1.1672200000e-01  9.0273900000e-01 -9.0271300000e-01 -3.0775600000e-01  8.1408000000e-02 -1.4099970000e+00 -3.4032420000e+00  1.2618510000e+00 -1.7223170000e+00 -2.7329680000e+00  6.5405100000e-01 -2.2009950000e+00 -3.8699110000e+00  1.5316180000e+00
-ENERGY -1.526531828539e+02
-FORCES -1.4779000000e-03 -6.3600000000e-04  5.0005000000e-03 -1.3444000000e-03  2.4450000000e-04 -4.1682000000e-03  2.8388000000e-03 -2.4990000000e-04 -8.9560000000e-04 -4.4492000000e-03 -4.8130000000e-04 -1.9896000000e-03  9.1800000000e-04 -1.0532000000e-03  3.1852000000e-03  3.5147000000e-03  2.1758000000e-03 -1.1323000000e-03
-
-JOB 567
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6828600000e-01 -3.0293200000e-01 -2.6560200000e-01 -1.1366400000e-01  2.9074300000e-01  9.0486500000e-01  6.7804000000e-02  7.7257000000e-01  2.7691760000e+00  7.0062500000e-01  1.4747990000e+00  2.6186990000e+00 -4.6454600000e-01  1.0822020000e+00  3.5019540000e+00
-ENERGY -1.526608143289e+02
-FORCES -3.7035000000e-03  5.1390000000e-04  9.3656000000e-03  2.3807000000e-03  1.0121000000e-03  1.1175000000e-03  2.5433000000e-03  2.1010000000e-04 -9.7219000000e-03 -2.7900000000e-05  3.0024000000e-03  2.4832000000e-03 -4.5924000000e-03 -3.9474000000e-03 -2.9130000000e-04  3.3998000000e-03 -7.9110000000e-04 -2.9531000000e-03
-
-JOB 568
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6555200000e-01 -2.8738900000e-01 -2.9061900000e-01 -1.6785000000e-01  7.9806700000e-01  5.0114600000e-01  1.5648840000e+00 -2.1418550000e+00 -1.0330920000e+00  1.2282580000e+00 -1.4574430000e+00 -4.5473700000e-01  2.0749590000e+00 -2.7124250000e+00 -4.5819600000e-01
-ENERGY -1.526612052760e+02
-FORCES -2.6831000000e-03  1.2964000000e-03 -5.5130000000e-04  4.0420000000e-03  2.1787000000e-03  2.4124000000e-03 -7.8850000000e-04 -3.5260000000e-03 -2.5082000000e-03 -2.1799000000e-03  5.9545000000e-03  5.4410000000e-03  3.5220000000e-03 -8.4542000000e-03 -3.6100000000e-03 -1.9125000000e-03  2.5506000000e-03 -1.1839000000e-03
-
-JOB 569
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3078500000e-01 -7.7732400000e-01  3.5556100000e-01  2.6198400000e-01  7.0922500000e-01  5.8702300000e-01  5.0394400000e-01 -1.8568600000e-01 -2.7539730000e+00  1.2122780000e+00 -8.2834500000e-01 -2.7154550000e+00  3.0359700000e-01  5.8510000000e-03 -1.8377810000e+00
-ENERGY -1.526601588348e+02
-FORCES  2.5626000000e-03 -3.4000000000e-04  1.2931000000e-03 -1.1808000000e-03  4.5130000000e-03 -2.5272000000e-03 -8.6940000000e-04 -4.4095000000e-03 -2.5177000000e-03 -8.1350000000e-04  1.7430000000e-04  1.2796300000e-02 -2.0902000000e-03  1.4323000000e-03  7.0070000000e-04  2.3913000000e-03 -1.3700000000e-03 -9.7453000000e-03
-
-JOB 570
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0469900000e-01  3.6194000000e-02  9.5076800000e-01  7.2117700000e-01  5.2890900000e-01 -3.4116200000e-01 -2.8497060000e+00  4.9454300000e-01 -1.4666600000e-01 -2.8402130000e+00 -4.0269200000e-01  1.8666700000e-01 -1.9318170000e+00  6.9044500000e-01 -3.3464200000e-01
-ENERGY -1.526598090475e+02
-FORCES  3.0367000000e-03  9.1060000000e-04  3.2534000000e-03 -8.1730000000e-04 -1.8480000000e-04 -5.1075000000e-03 -4.3052000000e-03 -1.8929000000e-03  2.0130000000e-03  1.1137000000e-02 -5.1340000000e-03 -3.6160000000e-04 -1.6129000000e-03  2.5976000000e-03  3.4110000000e-04 -7.4382000000e-03  3.7035000000e-03 -1.3850000000e-04
-
-JOB 571
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3297500000e-01 -8.7573200000e-01  1.9609600000e-01 -5.4453900000e-01  3.0704600000e-01 -7.2486600000e-01  1.3329570000e+00 -2.6975980000e+00  2.6441940000e+00  1.4752410000e+00 -3.6441260000e+00  2.6356180000e+00  5.4837700000e-01 -2.5680160000e+00  2.1113970000e+00
-ENERGY -1.526519887260e+02
-FORCES -3.5893000000e-03 -1.7795000000e-03 -2.7513000000e-03  1.4739000000e-03  2.5297000000e-03  4.1990000000e-04  2.4838000000e-03 -1.2554000000e-03  3.1463000000e-03 -2.1849000000e-03 -3.2641000000e-03 -1.9432000000e-03 -6.2980000000e-04  4.1227000000e-03  4.4700000000e-05  2.4463000000e-03 -3.5340000000e-04  1.0837000000e-03
-
-JOB 572
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4451700000e-01 -4.0627800000e-01  4.4369400000e-01 -1.7788700000e-01  7.9252400000e-01  5.0645200000e-01 -1.1153490000e+00 -2.1556540000e+00  3.0463340000e+00 -4.9387100000e-01 -2.0735110000e+00  2.3229750000e+00 -1.7946150000e+00 -1.5093410000e+00  2.8537010000e+00
-ENERGY -1.526549527144e+02
-FORCES  3.5665000000e-03  3.5169000000e-03  2.2679000000e-03 -4.5166000000e-03  5.0490000000e-04 -9.9260000000e-04  3.3060000000e-04 -4.0276000000e-03 -1.9568000000e-03 -1.3449000000e-03  2.7431000000e-03 -5.2271000000e-03 -7.6380000000e-04 -3.7200000000e-04  4.0314000000e-03  2.7283000000e-03 -2.3654000000e-03  1.8771000000e-03
-
-JOB 573
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8220600000e-01  6.6706000000e-02  8.2417200000e-01  7.6152900000e-01  5.6717000000e-01  1.2092700000e-01 -1.1889240000e+00  1.7381600000e-01  2.3801110000e+00 -2.0983660000e+00  4.6438500000e-01  2.3114320000e+00 -1.2499290000e+00 -7.5321400000e-01  2.6106000000e+00
-ENERGY -1.526599187421e+02
-FORCES -6.2594000000e-03  3.8753000000e-03  1.7278300000e-02  2.7961000000e-03 -3.5640000000e-03 -9.1194000000e-03 -2.1363000000e-03 -1.3944000000e-03  1.7340000000e-04  1.3490000000e-04 -1.9982000000e-03 -4.6090000000e-03  5.3294000000e-03 -2.5811000000e-03 -4.4300000000e-04  1.3540000000e-04  5.6623000000e-03 -3.2804000000e-03
-
-JOB 574
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0787200000e-01 -9.0531000000e-01 -4.3122000000e-02  6.5863600000e-01  5.0065900000e-01 -4.8142600000e-01 -2.5043260000e+00  8.6800500000e-01 -7.9247000000e-01 -2.4535800000e+00  1.8232470000e+00 -8.2664800000e-01 -1.5943840000e+00  5.8206500000e-01 -7.1199200000e-01
-ENERGY -1.526593430001e+02
-FORCES  3.2770000000e-04 -2.4115000000e-03 -8.7230000000e-04 -5.6260000000e-04  5.2208000000e-03 -5.7100000000e-05 -5.5081000000e-03 -2.1997000000e-03  1.5364000000e-03  1.1818400000e-02 -2.6550000000e-03  4.9728000000e-03  1.3115000000e-03 -2.9747000000e-03 -5.4400000000e-05 -7.3869000000e-03  5.0202000000e-03 -5.5255000000e-03
-
-JOB 575
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5323000000e-02 -2.9015500000e-01 -9.1048400000e-01  2.7508000000e-02  9.5529100000e-01 -5.3805000000e-02 -2.2500770000e+00 -5.1208800000e-01  9.2544000000e-01 -3.0102210000e+00 -2.1053300000e-01  4.2796800000e-01 -1.5045270000e+00 -7.7185000000e-02  5.1162200000e-01
-ENERGY -1.526507120260e+02
-FORCES -1.3838800000e-02 -5.5862000000e-03  3.1481000000e-03 -1.8795000000e-03  3.2498000000e-03  5.7700000000e-03 -6.4990000000e-03 -7.1941000000e-03  1.1961000000e-03  2.4840700000e-02  4.8077000000e-03 -8.8905000000e-03  6.0116000000e-03  4.4910000000e-04 -1.0918000000e-03 -8.6350000000e-03  4.2737000000e-03 -1.3200000000e-04
-
-JOB 576
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6880500000e-01 -3.0855300000e-01  2.5730400000e-01  5.9012300000e-01 -3.6928400000e-01  6.5697500000e-01  1.7275100000e+00 -3.1252340000e+00 -1.7905200000e-01  1.6038270000e+00 -2.8059160000e+00 -1.0729040000e+00  8.3972200000e-01 -3.2353820000e+00  1.6143700000e-01
-ENERGY -1.526559494624e+02
-FORCES -3.3800000000e-05 -1.7235000000e-03  4.5810000000e-03  3.8128000000e-03  3.1330000000e-04 -1.3914000000e-03 -4.1009000000e-03  2.0543000000e-03 -2.7453000000e-03 -4.4019000000e-03  8.8680000000e-04 -4.1855000000e-03  1.1161000000e-03 -2.4793000000e-03  3.8748000000e-03  3.6077000000e-03  9.4830000000e-04 -1.3360000000e-04
-
-JOB 577
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0376600000e-01 -2.3648000000e-02 -6.4837200000e-01 -3.6189100000e-01 -8.8613100000e-01 -6.1940000000e-03  9.7170900000e-01  1.2065350000e+00  2.2546560000e+00  5.3558300000e-01  6.2561600000e-01  1.6313110000e+00  8.9838600000e-01  7.5486900000e-01  3.0954020000e+00
-ENERGY -1.526603047925e+02
-FORCES  3.9817000000e-03  7.9900000000e-05 -8.1070000000e-04 -4.3731000000e-03 -1.1707000000e-03  2.9425000000e-03  2.7383000000e-03  4.4799000000e-03  1.0611000000e-03 -5.4732000000e-03 -6.3230000000e-03 -9.3492000000e-03  3.8625000000e-03  3.0696000000e-03  1.0015400000e-02 -7.3630000000e-04 -1.3560000000e-04 -3.8592000000e-03
-
-JOB 578
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7622100000e-01  1.3295000000e-01 -8.7006600000e-01 -2.3363600000e-01  7.9091500000e-01  4.8590100000e-01 -1.3026790000e+00  6.0512300000e-01 -2.3277990000e+00 -1.5434350000e+00 -2.2542700000e-01 -2.7382310000e+00 -2.1369180000e+00  1.0507600000e+00 -2.1805400000e+00
-ENERGY -1.526596109087e+02
-FORCES -7.6212000000e-03  6.8728000000e-03 -1.2678800000e-02  4.4555000000e-03 -5.1823000000e-03  7.0914000000e-03 -1.9500000000e-05 -1.9965000000e-03 -1.1656000000e-03 -2.5209000000e-03 -1.5538000000e-03  3.9849000000e-03  1.5195000000e-03  4.4509000000e-03  3.7006000000e-03  4.1865000000e-03 -2.5911000000e-03 -9.3240000000e-04
-
-JOB 579
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8006500000e-01 -8.1544000000e-01 -3.2686400000e-01 -7.1130600000e-01  6.3763000000e-01 -6.0853000000e-02  1.7117290000e+00  1.8568900000e+00 -9.1439600000e-01  1.0677490000e+00  2.4013990000e+00 -1.3672000000e+00  1.2565100000e+00  1.0303640000e+00 -7.5358100000e-01
-ENERGY -1.526577381456e+02
-FORCES -4.3610000000e-04  3.7319000000e-03 -1.5449000000e-03  1.4524000000e-03  5.2068000000e-03  1.3379000000e-03  4.7317000000e-03 -3.1764000000e-03 -2.0632000000e-03 -9.7934000000e-03 -1.1250400000e-02  3.3999000000e-03  3.7210000000e-04 -2.1577000000e-03  2.3528000000e-03  3.6732000000e-03  7.6458000000e-03 -3.4826000000e-03
-
-JOB 580
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0201000000e-02  1.5153800000e-01 -9.4464600000e-01 -9.3357600000e-01 -1.6253000000e-02  2.1072200000e-01  2.3572570000e+00 -1.0724330000e+00  1.2063490000e+00  2.7832320000e+00 -1.9081060000e+00  1.0154920000e+00  1.4431870000e+00 -1.2062470000e+00  9.5574300000e-01
-ENERGY -1.526586129360e+02
-FORCES -1.1832000000e-03  2.7131000000e-03 -3.8836000000e-03 -1.3773000000e-03 -8.9280000000e-04  4.3410000000e-03  4.8212000000e-03 -5.8000000000e-04 -9.7770000000e-04 -6.8153000000e-03  3.2840000000e-04 -3.3803000000e-03 -2.4009000000e-03  3.1260000000e-03 -2.9930000000e-04  6.9556000000e-03 -4.6947000000e-03  4.1998000000e-03
-
-JOB 581
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3285200000e-01  9.0760000000e-01  1.9563600000e-01  7.1827900000e-01 -5.1623200000e-01  3.6580300000e-01 -2.3131300000e-01  5.3993700000e-01 -2.6375270000e+00 -4.4320200000e-01 -2.4506300000e-01 -3.1426110000e+00 -1.5589100000e-01  2.3125500000e-01 -1.7346090000e+00
-ENERGY -1.526604342689e+02
-FORCES  3.2309000000e-03  2.4081000000e-03 -2.7413000000e-03 -7.1920000000e-04 -5.9681000000e-03 -2.7871000000e-03 -3.5666000000e-03  3.1926000000e-03 -1.7475000000e-03  4.0100000000e-05 -6.3694000000e-03  1.4033500000e-02  1.0772000000e-03  1.3757000000e-03  2.5396000000e-03 -6.2400000000e-05  5.3611000000e-03 -9.2971000000e-03
-
-JOB 582
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7427600000e-01 -7.6550100000e-01 -2.1158000000e-02  6.0285000000e-01 -1.3194600000e-01 -7.3170600000e-01 -1.1607430000e+00 -2.0207300000e+00 -1.1229930000e+00 -4.9323300000e-01 -2.6691080000e+00 -1.3471960000e+00 -1.3595700000e+00 -1.5846240000e+00 -1.9515530000e+00
-ENERGY -1.526544879659e+02
-FORCES -8.2449000000e-03 -1.8611000000e-02 -1.0826000000e-02  1.2587000000e-03  4.6364000000e-03  4.2659000000e-03 -4.6690000000e-04  9.3790000000e-04  4.2360000000e-04  7.1114000000e-03  1.0606900000e-02  1.6802000000e-03 -2.3307000000e-03  5.1113000000e-03  5.2710000000e-04  2.6724000000e-03 -2.6814000000e-03  3.9291000000e-03
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-JOB 583
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4229900000e-01 -1.4198300000e-01  9.1507600000e-01  6.5103600000e-01 -4.9249300000e-01 -4.9983500000e-01  1.2193050000e+00 -5.8322900000e-01 -2.4558900000e+00  7.6095400000e-01 -2.6742100000e-01 -3.2346150000e+00  1.8853160000e+00 -1.1810750000e+00 -2.7953620000e+00
-ENERGY -1.526590906015e+02
-FORCES  4.8189000000e-03 -2.4321000000e-03 -5.6003000000e-03  4.1960000000e-04 -2.9990000000e-04 -4.0784000000e-03 -2.6771000000e-03  5.5440000000e-04  9.0199000000e-03 -2.9920000000e-03  1.8784000000e-03 -3.5095000000e-03  3.6026000000e-03 -2.3512000000e-03  1.9383000000e-03 -3.1720000000e-03  2.6505000000e-03  2.2300000000e-03
-
-JOB 584
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6214300000e-01  1.7235000000e-01 -7.5533000000e-01  2.2459100000e-01  8.6806200000e-01  3.3505100000e-01  4.8767000000e-02  2.3758530000e+00  1.3949300000e+00  1.0585600000e-01  2.4927190000e+00  2.3432520000e+00 -8.0358900000e-01  2.7419270000e+00  1.1588960000e+00
-ENERGY -1.526590969208e+02
-FORCES  4.7020000000e-04  1.1472700000e-02  5.3182000000e-03  1.0686000000e-03  8.9370000000e-04  3.1382000000e-03 -1.1264000000e-03 -6.6889000000e-03 -6.8969000000e-03 -3.3188000000e-03 -4.3919000000e-03  2.2948000000e-03 -1.4226000000e-03  9.0940000000e-04 -4.4290000000e-03  4.3290000000e-03 -2.1949000000e-03  5.7470000000e-04
-
-JOB 585
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4810900000e-01  7.7793700000e-01  1.0306500000e-01  8.5946600000e-01  2.6708600000e-01  3.2590600000e-01  6.1582000000e-01  1.1562900000e-01 -2.9583570000e+00  5.2182000000e-01 -3.3670600000e-01 -2.1200320000e+00 -2.1220500000e-01 -4.3903000000e-02 -3.4112990000e+00
-ENERGY -1.526598324386e+02
-FORCES  5.6650000000e-04  6.8567000000e-03  1.7549000000e-03  2.2788000000e-03 -3.7313000000e-03  4.6230000000e-04 -3.9878000000e-03 -1.6775000000e-03 -2.2495000000e-03 -4.8643000000e-03 -2.8229000000e-03  6.7254000000e-03  3.4665000000e-03  4.0100000000e-04 -8.2630000000e-03  2.5403000000e-03  9.7400000000e-04  1.5698000000e-03
-
-JOB 586
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5349000000e-02 -9.0238100000e-01 -3.1444800000e-01 -8.3323700000e-01  1.5005800000e-01  4.4657700000e-01  1.6900610000e+00  1.9007530000e+00  1.4433000000e+00  1.3934250000e+00  1.8589060000e+00  2.3524140000e+00  1.2308750000e+00  1.1826540000e+00  1.0077370000e+00
-ENERGY -1.526604848471e+02
-FORCES -2.8088000000e-03 -3.2005000000e-03 -9.2700000000e-04 -1.2860000000e-03  4.2752000000e-03  1.5862000000e-03  5.1047000000e-03 -1.0971000000e-03 -1.0958000000e-03 -4.5798000000e-03 -7.0719000000e-03 -2.5994000000e-03 -1.2900000000e-05 -1.4610000000e-04 -3.1685000000e-03  3.5828000000e-03  7.2403000000e-03  6.2045000000e-03
-
-JOB 587
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8001000000e-02 -6.0226500000e-01  7.3988100000e-01  4.8751300000e-01 -4.2346200000e-01 -7.0657100000e-01 -1.7381860000e+00  1.9141230000e+00 -2.7771920000e+00 -1.3383770000e+00  2.7706220000e+00 -2.9281690000e+00 -2.2062080000e+00  2.0105880000e+00 -1.9478050000e+00
-ENERGY -1.526553304711e+02
-FORCES  2.5623000000e-03 -4.4258000000e-03 -1.0073000000e-03 -4.8310000000e-04  2.5703000000e-03 -3.0195000000e-03 -1.3450000000e-03  1.2576000000e-03  3.8658000000e-03  1.8500000000e-05  3.4018000000e-03  4.3062000000e-03 -1.5560000000e-03 -3.3252000000e-03  2.5850000000e-04  8.0330000000e-04  5.2130000000e-04 -4.4036000000e-03
-
-JOB 588
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7059000000e-01 -8.3353300000e-01 -1.8500000000e-04  6.7445000000e-01  6.5640900000e-01 -1.7457400000e-01 -4.6650100000e-01  4.1389900000e-01  2.4854900000e+00  2.5941400000e-01 -1.8741700000e-01  2.6519180000e+00 -6.0899000000e-01  3.6232100000e-01  1.5403610000e+00
-ENERGY -1.526540657706e+02
-FORCES  1.7032000000e-03  1.5902000000e-03  1.5150500000e-02 -1.3147000000e-03  5.0428000000e-03  1.4135000000e-03 -3.2845000000e-03 -4.3541000000e-03  1.8601000000e-03  5.5430000000e-03 -6.1974000000e-03 -2.3752300000e-02 -6.9460000000e-04  8.2300000000e-04 -2.9510000000e-04 -1.9524000000e-03  3.0955000000e-03  5.6234000000e-03
-
-JOB 589
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6280600000e-01  3.7315900000e-01  1.8041700000e-01 -1.6021700000e-01  2.0067900000e-01 -9.2211200000e-01 -9.5178100000e-01  2.9135870000e+00 -1.0611040000e+00 -8.3108100000e-01  1.9680290000e+00 -9.7402600000e-01 -1.7598410000e+00  3.0069180000e+00 -1.5656420000e+00
-ENERGY -1.526532029120e+02
-FORCES  5.8838000000e-03  2.2690000000e-04 -1.6403000000e-03 -4.7282000000e-03 -2.1156000000e-03 -1.1123000000e-03 -2.9395000000e-03  5.1412000000e-03  5.2631000000e-03 -3.6792000000e-03 -3.7884000000e-03  1.2973000000e-03  1.8340000000e-03  1.5466000000e-03 -5.7828000000e-03  3.6292000000e-03 -1.0106000000e-03  1.9751000000e-03
-
-JOB 590
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3687800000e-01  7.3190600000e-01  3.0382000000e-01  1.5591700000e-01 -5.2528800000e-01  7.8485300000e-01  4.8681000000e-02 -9.1095700000e-01 -2.5279240000e+00  2.1126700000e-01 -4.7830600000e-01 -1.6897050000e+00 -8.9055700000e-01 -1.0954870000e+00 -2.5245500000e+00
-ENERGY -1.526592952834e+02
-FORCES -4.7190000000e-04 -2.9840000000e-03 -4.4718000000e-03  2.1656000000e-03 -4.5856000000e-03 -4.9750000000e-04 -1.9467000000e-03  3.8386000000e-03 -2.8297000000e-03 -3.1244000000e-03  4.5930000000e-03  1.5473600000e-02  1.4851000000e-03 -1.2541000000e-03 -6.9627000000e-03  1.8924000000e-03  3.9200000000e-04 -7.1200000000e-04
-
-JOB 591
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1812700000e-01 -9.2053500000e-01  2.3429300000e-01  8.6386000000e-01  2.8443900000e-01 -2.9845000000e-01 -5.9996000000e-02 -2.7483780000e+00 -4.0947000000e-02 -7.9155500000e-01 -3.2516190000e+00 -3.9844000000e-01  6.6151400000e-01 -3.3754870000e+00  7.9360000000e-03
-ENERGY -1.526594670018e+02
-FORCES  1.7816000000e-03 -1.2192800000e-02 -1.2955000000e-03  1.6325000000e-03  8.5546000000e-03  1.7369000000e-03 -2.1446000000e-03 -1.7085000000e-03  1.0282000000e-03 -2.3558000000e-03  2.0030000000e-03 -2.4262000000e-03  4.6064000000e-03  2.4750000000e-04  1.7994000000e-03 -3.5200000000e-03  3.0961000000e-03 -8.4270000000e-04
-
-JOB 592
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6315200000e-01 -4.1944000000e-02 -4.1163200000e-01 -5.9872700000e-01 -3.4527200000e-01 -6.6222800000e-01 -4.7194000000e-02 -1.4181550000e+00 -2.4227690000e+00  3.6228000000e-02 -6.8523300000e-01 -3.0327680000e+00 -6.9110200000e-01 -1.9974360000e+00 -2.8302590000e+00
-ENERGY -1.526573691397e+02
-FORCES  1.9345000000e-03 -8.7010000000e-03 -1.1208100000e-02 -9.4050000000e-04  2.9221000000e-03  2.0947000000e-03 -2.5082000000e-03  4.8089000000e-03  4.2860000000e-03 -3.0620000000e-04  2.2800000000e-04 -2.4748000000e-03 -6.5110000000e-04 -3.1198000000e-03  4.7534000000e-03  2.4716000000e-03  3.8618000000e-03  2.5488000000e-03
-
-JOB 593
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6805500000e-01 -6.2717600000e-01 -4.4743200000e-01 -2.1516900000e-01  8.4414600000e-01 -3.9667500000e-01 -8.2729500000e-01  2.3880650000e+00 -1.4137810000e+00 -1.5551930000e+00  2.6854020000e+00 -8.6789900000e-01 -3.8333600000e-01  3.1928850000e+00 -1.6809840000e+00
-ENERGY -1.526612961347e+02
-FORCES -3.1973000000e-03  6.6886000000e-03 -7.7643000000e-03  1.2751000000e-03  1.8710000000e-03  1.7369000000e-03  4.1650000000e-04 -7.4427000000e-03  6.8309000000e-03  3.1040000000e-04  4.3844000000e-03  4.9700000000e-05  4.5788000000e-03 -2.3609000000e-03 -2.3111000000e-03 -3.3834000000e-03 -3.1405000000e-03  1.4578000000e-03
-
-JOB 594
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5090000000e-01  1.1715100000e-01  9.1627300000e-01 -4.1929700000e-01  8.2589700000e-01 -2.4148800000e-01 -1.5734200000e+00  2.2824020000e+00  1.4171500000e-01 -1.2459560000e+00  3.1738010000e+00  2.6174900000e-01 -2.1227770000e+00  2.1231590000e+00  9.0923100000e-01
-ENERGY -1.526595054179e+02
-FORCES -6.4528000000e-03  1.2335200000e-02  2.7322000000e-03 -7.4210000000e-04 -9.4850000000e-04 -1.8273000000e-03  5.0948000000e-03 -6.7851000000e-03 -1.6999000000e-03  3.1100000000e-05 -1.6312000000e-03  3.5689000000e-03 -1.3908000000e-03 -4.9689000000e-03  3.9710000000e-04  3.4597000000e-03  1.9986000000e-03 -3.1710000000e-03
-
-JOB 595
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1601000000e-01  6.8271700000e-01  4.2879400000e-01 -1.7502500000e-01  3.4557300000e-01 -8.7531500000e-01  1.6796720000e+00  2.0176880000e+00  1.3654020000e+00  9.1944200000e-01  2.4410140000e+00  1.7642460000e+00  2.0658360000e+00  1.5017260000e+00  2.0731410000e+00
-ENERGY -1.526610506931e+02
-FORCES  6.5920000000e-03  7.7072000000e-03  5.4990000000e-04 -8.3491000000e-03 -6.5778000000e-03 -2.1196000000e-03  3.1840000000e-04 -6.6010000000e-04  3.0160000000e-03  1.4036000000e-03  1.3261000000e-03  6.1222000000e-03  3.0876000000e-03 -4.3235000000e-03 -3.6201000000e-03 -3.0525000000e-03  2.5281000000e-03 -3.9485000000e-03
-
-JOB 596
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6612000000e-01 -5.0598000000e-02 -4.0436000000e-01  1.4973400000e-01 -2.2842900000e-01  9.1740500000e-01  2.4493540000e+00 -6.5315200000e-01 -9.1958600000e-01  3.1036100000e+00 -9.5396600000e-01 -2.8895700000e-01  2.3860350000e+00 -1.3641570000e+00 -1.5573120000e+00
-ENERGY -1.526590957825e+02
-FORCES  1.6163400000e-02 -4.3349000000e-03 -2.8992000000e-03 -8.3201000000e-03  2.5428000000e-03  1.2452000000e-03 -6.8800000000e-05  4.1020000000e-04 -2.1097000000e-03 -5.4490000000e-03 -2.5327000000e-03  3.2225000000e-03 -3.4561000000e-03  4.9240000000e-04 -3.3397000000e-03  1.1306000000e-03  3.4222000000e-03  3.8809000000e-03
-
-JOB 597
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2326000000e-01  5.4934700000e-01 -4.7539200000e-01  7.8286400000e-01 -6.5610000000e-03 -5.5073800000e-01 -1.3526890000e+00 -2.2540920000e+00  2.2605500000e-01 -9.9767700000e-01 -1.4557020000e+00 -1.6480600000e-01 -1.5417530000e+00 -2.8230460000e+00 -5.2012100000e-01
-ENERGY -1.526557916011e+02
-FORCES  3.5430000000e-04 -2.8344000000e-03 -1.1630000000e-04  2.1780000000e-03 -7.8319000000e-03  1.5924000000e-03 -5.3737000000e-03 -3.7940000000e-04  2.1670000000e-03  8.9443000000e-03  1.2546400000e-02 -1.3942000000e-03 -8.4010000000e-03 -5.7190000000e-03 -3.5363000000e-03  2.2981000000e-03  4.2182000000e-03  1.2876000000e-03
-
-JOB 598
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5607600000e-01 -4.9851000000e-01  7.3547900000e-01 -7.4625100000e-01  4.9499300000e-01 -3.3811800000e-01  5.2580300000e-01 -6.1113300000e-01 -2.7018960000e+00  6.8361700000e-01 -4.6994000000e-01 -1.7684130000e+00  1.3800080000e+00 -8.6032400000e-01 -3.0547010000e+00
-ENERGY -1.526614588800e+02
-FORCES -4.9996000000e-03 -1.3982000000e-03 -1.5460000000e-04  6.8960000000e-04  3.1284000000e-03 -2.9152000000e-03  4.2485000000e-03 -3.0733000000e-03  2.0966000000e-03  1.6847000000e-03  4.1740000000e-04  8.7320000000e-03  8.2910000000e-04  3.2510000000e-04 -1.0317900000e-02 -2.4523000000e-03  6.0050000000e-04  2.5591000000e-03
-
-JOB 599
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9042500000e-01  8.6293400000e-01 -1.3836400000e-01 -5.7910200000e-01 -6.0295800000e-01 -4.6617000000e-01 -9.7230000000e-01  2.4612570000e+00 -3.8400000000e-03 -1.4029800000e+00  2.1553600000e+00  7.9439100000e-01 -1.9943000000e-01  2.9332240000e+00  3.0624100000e-01
-ENERGY -1.526583062359e+02
-FORCES -6.7800000000e-03  1.6431200000e-02 -4.3008000000e-03  1.8233000000e-03 -9.3875000000e-03  6.2150000000e-03  2.4960000000e-04  3.5166000000e-03  1.6704000000e-03  4.6593000000e-03 -4.4951000000e-03  4.4855000000e-03  4.4292000000e-03 -1.9750000000e-03 -6.5941000000e-03 -4.3814000000e-03 -4.0903000000e-03 -1.4760000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8568500000e-01 -7.4163900000e-01  4.6631600000e-01  1.2847000000e-02 -2.6233200000e-01 -9.2046100000e-01  2.2767620000e+00  1.4962870000e+00  4.2651400000e-01  1.4846270000e+00  1.0821410000e+00  8.4116000000e-02  2.6905040000e+00  8.1812100000e-01  9.6049900000e-01
-ENERGY -1.526574272250e+02
-FORCES  2.4335000000e-03 -3.2599000000e-03  5.2730000000e-04  3.2250000000e-04  5.4145000000e-03 -2.9079000000e-03  2.2798000000e-03  2.7790000000e-03  5.6657000000e-03 -1.2754500000e-02 -8.8035000000e-03 -5.3550000000e-04  9.5840000000e-03  2.9589000000e-03 -1.0722000000e-03 -1.8652000000e-03  9.1090000000e-04 -1.6774000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3090600000e-01  3.7011100000e-01 -8.5201600000e-01  1.6204900000e-01  7.0951400000e-01  6.2174100000e-01  2.4349400000e-01  1.3734800000e+00  2.2646820000e+00 -6.8080700000e-01  1.6222260000e+00  2.2696090000e+00  3.1834700000e-01  7.1445300000e-01  2.9548350000e+00
-ENERGY -1.526592892756e+02
-FORCES  3.8812000000e-03  7.9359000000e-03  1.1994600000e-02 -4.5340000000e-04  1.0199000000e-03  4.4391000000e-03 -5.1058000000e-03 -2.7741000000e-03 -9.6235000000e-03 -2.5362000000e-03 -8.2102000000e-03 -1.6517000000e-03  5.5375000000e-03 -2.3337000000e-03 -2.7068000000e-03 -1.3232000000e-03  4.3622000000e-03 -2.4517000000e-03
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5051300000e-01 -6.5611100000e-01 -6.5038000000e-01 -5.7739100000e-01  7.4329700000e-01 -1.7424500000e-01 -3.4268880000e+00 -1.2444500000e+00  2.9439400000e-01 -2.8709780000e+00 -7.8582100000e-01  9.2435800000e-01 -3.3829050000e+00 -7.0976600000e-01 -4.9833000000e-01
-ENERGY -1.526546169652e+02
-FORCES -1.5786000000e-03 -1.8030000000e-04 -4.4018000000e-03  8.5870000000e-04  3.7876000000e-03  2.8257000000e-03  1.1248000000e-03 -3.8421000000e-03  1.4077000000e-03  2.4987000000e-03  3.8880000000e-03  6.9570000000e-04 -3.7085000000e-03 -1.5563000000e-03 -3.3719000000e-03  8.0480000000e-04 -2.0968000000e-03  2.8446000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6664000000e-02 -3.4124700000e-01  8.9355300000e-01  8.7988600000e-01  3.3955500000e-01 -1.6350900000e-01 -1.2193870000e+00 -3.2718480000e+00  1.1164250000e+00 -8.4627700000e-01 -2.5397700000e+00  1.6074270000e+00 -2.0311530000e+00 -2.9241990000e+00  7.4709100000e-01
-ENERGY -1.526526524332e+02
-FORCES  5.0794000000e-03  1.0470000000e-04  2.0641000000e-03 -1.6059000000e-03 -1.5100000000e-05 -2.6905000000e-03 -3.9047000000e-03 -1.2622000000e-03  7.7610000000e-04 -2.2489000000e-03  4.8103000000e-03 -1.1895000000e-03 -4.1490000000e-04 -1.5422000000e-03 -1.3378000000e-03  3.0950000000e-03 -2.0954000000e-03  2.3777000000e-03
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8919400000e-01 -8.9085000000e-02  3.4297300000e-01  4.6375400000e-01  5.0912900000e-01  6.6479500000e-01  1.8754940000e+00 -1.8721240000e+00  6.0845300000e-01  1.4937680000e+00 -2.6281430000e+00  1.0544940000e+00  1.1243920000e+00 -1.3262250000e+00  3.7591700000e-01
-ENERGY -1.526592217791e+02
-FORCES  7.5560000000e-04  2.4860000000e-04  3.8083000000e-03  5.3860000000e-03 -1.3600000000e-04 -8.9450000000e-04 -2.2279000000e-03 -6.5580000000e-03 -3.5270000000e-03 -1.2140700000e-02  6.7813000000e-03 -4.6410000000e-03 -3.0490000000e-04  3.1955000000e-03 -1.3495000000e-03  8.5319000000e-03 -3.5314000000e-03  6.6036000000e-03
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2645800000e-01 -4.3400000000e-01  2.1176200000e-01  6.4304700000e-01 -7.0850800000e-01 -2.7186000000e-02  5.3826300000e-01  1.4199900000e+00  2.1938430000e+00  1.1991990000e+00  2.1104110000e+00  2.2459320000e+00  6.2049500000e-01  1.0756460000e+00  1.3045200000e+00
-ENERGY -1.526595845739e+02
-FORCES -2.9820000000e-03 -8.8030000000e-04  7.6003000000e-03  4.6513000000e-03  6.5940000000e-04 -2.3704000000e-03 -2.6530000000e-03  4.8350000000e-03  1.5355000000e-03 -2.9822000000e-03 -5.8987000000e-03 -1.2372800000e-02 -1.6111000000e-03 -3.3885000000e-03 -2.7529000000e-03  5.5770000000e-03  4.6731000000e-03  8.3603000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5390300000e-01 -1.9519000000e-02 -7.6935000000e-02 -1.8435000000e-01 -4.6257900000e-01  8.1747600000e-01 -2.6886700000e-01 -1.7259120000e+00 -2.2277800000e+00 -2.7919500000e-01 -1.3575470000e+00 -1.3443590000e+00 -4.1477700000e-01 -9.7468500000e-01 -2.8027590000e+00
-ENERGY -1.526599389659e+02
-FORCES  3.6900000000e-03  2.2100000000e-05  1.9940000000e-03 -6.0282000000e-03 -1.2401000000e-03 -2.6840000000e-04  1.2026000000e-03  7.7490000000e-04 -5.9796000000e-03 -1.5499000000e-03  1.1076200000e-02  8.3786000000e-03  1.5697000000e-03 -8.0306000000e-03 -4.7328000000e-03  1.1157000000e-03 -2.6025000000e-03  6.0820000000e-04
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6703700000e-01  3.2832400000e-01  8.8347800000e-01 -4.5301200000e-01 -8.4258700000e-01 -3.2535000000e-02  1.0147360000e+00 -2.4704400000e+00  2.2887420000e+00  7.2275300000e-01 -3.2046990000e+00  2.8289670000e+00  1.0385390000e+00 -2.8218830000e+00  1.3987130000e+00
-ENERGY -1.526552945665e+02
-FORCES -2.1069000000e-03 -2.2241000000e-03  5.8383000000e-03 -1.9350000000e-04  1.4410000000e-04 -4.5903000000e-03  2.1040000000e-03  2.4250000000e-03 -1.2513000000e-03  8.8010000000e-04 -4.9918000000e-03 -1.3793000000e-03  9.4510000000e-04  3.4271000000e-03 -2.5363000000e-03 -1.6286000000e-03  1.2198000000e-03  3.9190000000e-03
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8678300000e-01  5.0110100000e-01  2.1471300000e-01  1.5423600000e-01 -5.4644700000e-01  7.7061000000e-01 -5.7917900000e-01 -1.1166380000e+00  2.4922630000e+00 -8.9195800000e-01 -5.7475600000e-01  3.2166690000e+00 -1.7419000000e-02 -1.7711560000e+00  2.9073090000e+00
-ENERGY -1.526584782446e+02
-FORCES -6.0374000000e-03 -4.0005000000e-03  1.2872100000e-02  1.8630000000e-03  4.9830000000e-04 -1.8384000000e-03  4.7527000000e-03  1.3730000000e-04 -6.2370000000e-03  2.7870000000e-04  2.4464000000e-03  1.3629000000e-03  1.2289000000e-03 -3.2208000000e-03 -3.2517000000e-03 -2.0860000000e-03  4.1394000000e-03 -2.9078000000e-03
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8422000000e-02 -3.8481500000e-01 -8.7598000000e-01 -9.1340700000e-01  2.0133700000e-01  2.0342900000e-01 -2.5935830000e+00  3.5189200000e-01  9.8479800000e-01 -2.9141350000e+00 -4.0075300000e-01  1.4817920000e+00 -3.3861460000e+00  7.8879100000e-01  6.7303800000e-01
-ENERGY -1.526612605612e+02
-FORCES -1.1105700000e-02  1.2295000000e-03  1.6100000000e-03 -8.3130000000e-04  1.1573000000e-03  2.6757000000e-03  9.2391000000e-03 -1.6829000000e-03 -3.6905000000e-03 -5.8380000000e-04 -1.7843000000e-03  4.7640000000e-04  8.9100000000e-05  4.2008000000e-03 -2.9100000000e-03  3.1926000000e-03 -3.1205000000e-03  1.8384000000e-03
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0353800000e-01  7.1787000000e-01 -1.9140900000e-01 -1.4250000000e-01 -1.9270900000e-01  9.2670900000e-01 -5.4855000000e-01 -1.5921730000e+00 -2.3980160000e+00 -6.5603400000e-01 -1.1788220000e+00 -1.5413830000e+00  3.8682800000e-01 -1.7873500000e+00 -2.4546340000e+00
-ENERGY -1.526603987053e+02
-FORCES -1.1337000000e-03  3.2117000000e-03  3.4815000000e-03  2.2107000000e-03 -5.5787000000e-03  5.7890000000e-04  3.8240000000e-04  1.2397000000e-03 -4.8187000000e-03  6.0100000000e-03  4.0000000000e-03  9.0441000000e-03 -4.6629000000e-03 -2.4667000000e-03 -7.1179000000e-03 -2.8065000000e-03 -4.0600000000e-04 -1.1679000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7354600000e-01  6.7443400000e-01 -6.5669800000e-01 -7.4689200000e-01 -5.9521000000e-01 -6.4099000000e-02 -6.8299500000e-01  1.3004400000e+00  2.2987120000e+00 -2.1748400000e-01  8.2574000000e-01  1.6100970000e+00  9.4920000000e-03  1.7010080000e+00  2.8242970000e+00
-ENERGY -1.526613083073e+02
-FORCES -5.9915000000e-03  2.4732000000e-03  1.6000000000e-04  7.5720000000e-04 -3.6200000000e-03  3.6770000000e-03  3.9172000000e-03  3.7648000000e-03  2.2610000000e-04  5.6851000000e-03 -6.5679000000e-03 -1.0088900000e-02 -3.3195000000e-03  5.6928000000e-03  9.3628000000e-03 -1.0486000000e-03 -1.7429000000e-03 -3.3370000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0664000000e-02 -4.1574500000e-01 -8.5742000000e-01 -7.3588900000e-01  6.0348200000e-01 -1.0251300000e-01 -5.2868000000e-01 -1.5264460000e+00  2.1798170000e+00 -2.5614100000e-01 -9.0815200000e-01  2.8578050000e+00 -5.2169200000e-01 -1.0143310000e+00  1.3711630000e+00
-ENERGY -1.526593323796e+02
-FORCES -7.1400000000e-04 -2.8230000000e-03 -3.1850000000e-04 -1.4380000000e-03  2.8687000000e-03  4.4966000000e-03  3.4534000000e-03 -5.0762000000e-03  2.1706000000e-03  5.6024000000e-03  1.0238800000e-02 -1.1459400000e-02 -1.3133000000e-03 -1.1454000000e-03 -1.9994000000e-03 -5.5905000000e-03 -4.0630000000e-03  7.1101000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4325500000e-01  5.9061400000e-01  5.2180500000e-01 -7.5268800000e-01 -1.9104800000e-01  5.5963700000e-01  2.6311330000e+00 -1.9384690000e+00  3.8423700000e-01  2.5122680000e+00 -1.2719760000e+00  1.0609120000e+00  3.3995510000e+00 -2.4338700000e+00  6.6768500000e-01
-ENERGY -1.526517978537e+02
-FORCES -1.3868000000e-03  1.1377000000e-03  3.3046000000e-03 -1.2567000000e-03 -3.4335000000e-03 -1.3333000000e-03  3.3878000000e-03  9.2680000000e-04 -2.2645000000e-03  1.5626000000e-03  1.2619000000e-03  3.6728000000e-03  1.4367000000e-03 -1.9646000000e-03 -1.9280000000e-03 -3.7437000000e-03  2.0716000000e-03 -1.4517000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0345100000e-01  2.3628300000e-01  8.7653900000e-01  3.5535000000e-02  8.3097100000e-01 -4.7376900000e-01  2.2855100000e-01  2.5590830000e+00 -1.5542510000e+00  1.1012070000e+00  2.4110300000e+00 -1.9186470000e+00 -2.8397400000e-01  2.8971420000e+00 -2.2885990000e+00
-ENERGY -1.526617911439e+02
-FORCES -1.5496000000e-03  8.5730000000e-03 -1.4928000000e-03  8.7090000000e-04 -7.3150000000e-04 -2.7452000000e-03  1.8886000000e-03 -8.9422000000e-03  4.8275000000e-03  4.6910000000e-04  2.0401000000e-03 -5.5672000000e-03 -5.0690000000e-03 -4.5600000000e-05  2.0129000000e-03  3.3900000000e-03 -8.9390000000e-04  2.9648000000e-03
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6534800000e-01 -5.4487000000e-01  7.4090400000e-01  6.0120200000e-01  7.4451100000e-01  2.2160000000e-02 -1.0854890000e+00  2.1956870000e+00 -2.6023330000e+00 -1.2047950000e+00  2.4833800000e+00 -1.6972200000e+00 -1.3706000000e-01  2.1972260000e+00 -2.7316050000e+00
-ENERGY -1.526530116603e+02
-FORCES  3.7624000000e-03 -3.9830000000e-04  3.4411000000e-03 -1.2178000000e-03  2.4056000000e-03 -3.3877000000e-03 -3.0641000000e-03 -2.1086000000e-03 -7.0080000000e-04  2.7260000000e-03 -8.0340000000e-04  3.8359000000e-03  1.2335000000e-03  2.2980000000e-04 -4.0143000000e-03 -3.4399000000e-03  6.7490000000e-04  8.2580000000e-04
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5991700000e-01  6.8211600000e-01 -6.5220900000e-01 -5.5857800000e-01  4.1974500000e-01  6.5424500000e-01 -2.4267790000e+00  8.0930200000e-01  9.9881300000e-01 -2.7094920000e+00  1.4131930000e+00  3.1206700000e-01 -2.9563270000e+00  2.3971000000e-02  8.6072900000e-01
-ENERGY -1.526580191211e+02
-FORCES -1.1461300000e-02  6.6989000000e-03  4.6411000000e-03 -1.5421000000e-03 -1.7915000000e-03  1.7706000000e-03  8.2886000000e-03 -1.8926000000e-03 -2.7598000000e-03  1.1069000000e-03 -4.8537000000e-03 -7.3427000000e-03  2.1824000000e-03 -2.7338000000e-03  2.8582000000e-03  1.4255000000e-03  4.5728000000e-03  8.3260000000e-04
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3323200000e-01 -3.3100100000e-01 -8.3404200000e-01  7.0689900000e-01  5.4844300000e-01  3.4020100000e-01 -6.5486000000e-02 -1.0828250000e+00  2.6775790000e+00 -1.9672000000e-02 -3.8541700000e-01  3.3316090000e+00 -1.8157100000e-01 -6.2421700000e-01  1.8454530000e+00
-ENERGY -1.526588293941e+02
-FORCES  4.4467000000e-03 -2.3047000000e-03 -3.2729000000e-03 -8.4790000000e-04  3.1452000000e-03  3.3020000000e-03 -5.0101000000e-03 -4.0075000000e-03  1.1448000000e-03 -2.2118000000e-03  3.4642000000e-03 -7.1496000000e-03  6.1730000000e-04 -1.4091000000e-03 -3.7654000000e-03  3.0059000000e-03  1.1119000000e-03  9.7412000000e-03
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8563700000e-01  2.1404700000e-01  2.9336500000e-01  3.0713200000e-01 -6.5766100000e-01  6.2400600000e-01  3.1543210000e+00 -1.0839210000e+00  3.9969800000e-01  3.4583440000e+00 -1.8797940000e+00  8.3603200000e-01  2.3520240000e+00 -1.3485040000e+00 -5.0354000000e-02
-ENERGY -1.526540596510e+02
-FORCES -3.0210000000e-03  6.6400000000e-05  5.0190000000e-03  3.8400000000e-03 -8.1600000000e-04 -1.0496000000e-03 -5.2540000000e-04  5.8450000000e-04 -5.2355000000e-03 -6.5130000000e-04 -3.6072000000e-03 -2.2675000000e-03 -1.9660000000e-03  3.6497000000e-03 -1.5396000000e-03  2.3236000000e-03  1.2250000000e-04  5.0732000000e-03
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1741600000e-01  4.7430800000e-01 -8.0249300000e-01  8.0121800000e-01 -4.7370900000e-01  2.2334200000e-01  6.4013100000e-01  1.1747570000e+00 -2.2452660000e+00  1.4845780000e+00  1.6246410000e+00 -2.2725610000e+00  6.4146100000e-01  6.1456100000e-01 -3.0214170000e+00
-ENERGY -1.526581970359e+02
-FORCES  6.5064000000e-03  8.4068000000e-03 -1.7301600000e-02 -1.8981000000e-03 -3.7778000000e-03  7.6588000000e-03 -1.3731000000e-03  1.7822000000e-03 -1.6542000000e-03 -7.4840000000e-04 -5.9875000000e-03  7.4020000000e-03 -4.0761000000e-03 -3.8855000000e-03 -2.5760000000e-04  1.5892000000e-03  3.4617000000e-03  4.1525000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5987200000e-01 -2.6137000000e-01 -5.2010800000e-01 -5.4814800000e-01  4.9573200000e-01 -6.0828900000e-01 -2.3907790000e+00 -1.1237260000e+00 -4.5980700000e-01 -3.0717750000e+00 -1.2102680000e+00  2.0726600000e-01 -1.6293060000e+00 -7.9233500000e-01  1.6188000000e-02
-ENERGY -1.526583731432e+02
-FORCES -2.3719000000e-03 -3.3626000000e-03 -6.6184000000e-03 -3.3919000000e-03  2.6794000000e-03  1.7965000000e-03 -1.1700000000e-05 -6.5838000000e-03  6.0733000000e-03  1.0434200000e-02  1.4057000000e-03  5.1329000000e-03  4.0513000000e-03  1.0949000000e-03 -1.0449000000e-03 -8.7100000000e-03  4.7663000000e-03 -5.3394000000e-03
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1928000000e-01  1.4290000000e-01 -2.2524700000e-01  1.4955000000e-02 -8.6471300000e-01  4.1021900000e-01  2.3798400000e+00 -9.0333700000e-01 -8.1678700000e-01  1.4782130000e+00 -5.8210000000e-01 -8.2717700000e-01  2.5415960000e+00 -1.1934640000e+00 -1.7145030000e+00
-ENERGY -1.526587240810e+02
-FORCES  1.0562000000e-03 -2.7727000000e-03  4.8300000000e-04  4.4648000000e-03 -1.6905000000e-03  1.7231000000e-03  1.1622000000e-03  4.9796000000e-03 -6.1178000000e-03 -1.0486800000e-02  6.5379000000e-03 -9.0000000000e-06  6.1384000000e-03 -8.5212000000e-03  1.2288000000e-03 -2.3348000000e-03  1.4670000000e-03  2.6918000000e-03
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0854100000e-01 -2.8051500000e-01  1.0998300000e-01 -3.3325200000e-01  8.9618000000e-02  8.9282900000e-01 -1.6004960000e+00  3.2100270000e+00  1.5619290000e+00 -2.4670810000e+00  2.9683120000e+00  1.2350710000e+00 -1.7526920000e+00  3.9955110000e+00  2.0873660000e+00
-ENERGY -1.526548738882e+02
-FORCES  2.4410000000e-03  8.5460000000e-04  4.7081000000e-03 -3.4912000000e-03  7.8930000000e-04 -5.4490000000e-04  1.1623000000e-03 -2.1673000000e-03 -3.9744000000e-03 -4.3403000000e-03  3.0011000000e-03 -7.0100000000e-05  3.5533000000e-03  8.1730000000e-04  2.0690000000e-03  6.7490000000e-04 -3.2950000000e-03 -2.1878000000e-03
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3870200000e-01 -1.7787300000e-01 -4.2564300000e-01 -1.3280600000e-01  8.3241700000e-01  4.5351600000e-01  2.4705140000e+00  6.0321200000e-01 -9.2134500000e-01  1.5247640000e+00  4.5564900000e-01 -9.1749800000e-01  2.6542040000e+00  9.5999600000e-01 -1.7903640000e+00
-ENERGY -1.526594349414e+02
-FORCES -1.3200000000e-05  2.0510000000e-03  1.5813000000e-03  4.7290000000e-03  1.8687000000e-03  1.7420000000e-03  8.3060000000e-04 -4.3272000000e-03 -4.5613000000e-03 -1.1324900000e-02 -4.0253000000e-03  1.9734000000e-03  8.6863000000e-03  5.8818000000e-03 -3.5111000000e-03 -2.9077000000e-03 -1.4490000000e-03  2.7758000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8999000000e-02  6.7586900000e-01  6.7669200000e-01  2.7024100000e-01  4.4739700000e-01 -8.0189600000e-01  4.1586000000e-01  1.2071780000e+00 -2.4797310000e+00  8.1849100000e-01  7.9746700000e-01 -3.2454060000e+00 -2.9523200000e-01  1.7384690000e+00 -2.8379340000e+00
-ENERGY -1.526613514029e+02
-FORCES  2.6352000000e-03  6.6135000000e-03 -9.2896000000e-03 -4.2090000000e-04 -1.2588000000e-03 -2.8197000000e-03 -9.1390000000e-04 -3.7709000000e-03  9.3130000000e-03 -2.6853000000e-03 -2.0643000000e-03 -5.8790000000e-04 -2.7387000000e-03  2.7988000000e-03  2.8121000000e-03  4.1235000000e-03 -2.3184000000e-03  5.7220000000e-04
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6332800000e-01 -5.5040200000e-01  1.7498700000e-01  3.6747300000e-01  8.5027800000e-01 -2.4129600000e-01 -2.5194320000e+00  6.5617900000e-01  5.9800600000e-01 -1.5899740000e+00  4.2838200000e-01  5.7686600000e-01 -2.6447480000e+00  1.0742270000e+00  1.4499240000e+00
-ENERGY -1.526592755653e+02
-FORCES -3.0698000000e-03  5.0880000000e-04  1.1519000000e-03 -2.4930000000e-03  4.0880000000e-03 -1.8148000000e-03 -2.2037000000e-03 -4.7466000000e-03  2.9777000000e-03  1.2539000000e-02 -4.9549000000e-03 -7.1030000000e-04 -7.0342000000e-03  6.4320000000e-03  1.0186000000e-03  2.2617000000e-03 -1.3273000000e-03 -2.6231000000e-03
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1334300000e-01 -6.2377800000e-01 -6.5494200000e-01 -7.8049400000e-01  2.3193000000e-01  5.0325900000e-01 -1.3595880000e+00 -1.8374000000e+00 -1.4628020000e+00 -1.8826590000e+00 -1.1634820000e+00 -1.8969270000e+00 -1.1577910000e+00 -2.4673330000e+00 -2.1546790000e+00
-ENERGY -1.526583293292e+02
-FORCES -8.1142000000e-03 -1.2098400000e-02 -5.2868000000e-03  1.6483000000e-03  9.0515000000e-03  1.4831000000e-03  1.5962000000e-03  9.0000000000e-07 -2.3534000000e-03  1.4250000000e-03  1.4636000000e-03 -8.8820000000e-04  5.2444000000e-03 -2.3719000000e-03  3.9366000000e-03 -1.7996000000e-03  3.9543000000e-03  3.1086000000e-03
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9781700000e-01  8.0602000000e-01 -4.7689900000e-01  8.5621800000e-01 -3.4682100000e-01  2.5067400000e-01 -2.7112200000e-01  2.4689430000e+00 -1.6208330000e+00 -4.2726000000e-01  1.9028190000e+00 -2.3767150000e+00 -1.0938510000e+00  2.9436530000e+00 -1.5025200000e+00
-ENERGY -1.526609759257e+02
-FORCES  2.3486000000e-03  6.9207000000e-03 -2.0284000000e-03  1.2935000000e-03 -1.0237700000e-02  2.4337000000e-03 -2.6889000000e-03  1.9879000000e-03 -1.5791000000e-03 -6.3229000000e-03  1.2770000000e-03 -2.1969000000e-03  1.5774000000e-03  1.8822000000e-03  5.2085000000e-03  3.7924000000e-03 -1.8302000000e-03 -1.8378000000e-03
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1138600000e-01  3.3159500000e-01 -3.8461500000e-01 -2.7521300000e-01 -7.4259800000e-01  5.3762200000e-01 -2.0962470000e+00  1.6681920000e+00 -1.3654570000e+00 -1.9285080000e+00  2.2951020000e+00 -6.6183800000e-01 -2.1712230000e+00  2.2063140000e+00 -2.1535150000e+00
-ENERGY -1.526604231443e+02
-FORCES -6.0220000000e-03 -1.1370000000e-04 -3.3665000000e-03  5.7290000000e-03 -2.5875000000e-03  7.5971000000e-03  3.3790000000e-04  2.9471000000e-03 -1.9976000000e-03  7.8880000000e-04  5.5321000000e-03 -3.1014000000e-03 -3.2450000000e-04 -4.7015000000e-03 -3.2557000000e-03 -5.0920000000e-04 -1.0765000000e-03  4.1241000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1243300000e-01  4.1511600000e-01  2.8959000000e-01  6.7425700000e-01  6.6316000000e-01  1.4774300000e-01 -2.5539830000e+00  2.9084800000e-01  6.8014500000e-01 -3.3223210000e+00  6.7488400000e-01  2.5776600000e-01 -2.9130310000e+00 -2.6478700000e-01  1.3719450000e+00
-ENERGY -1.526595628815e+02
-FORCES -1.1842500000e-02  2.3585000000e-03  3.2448000000e-03  9.1098000000e-03  6.8390000000e-04 -1.5267000000e-03 -4.0832000000e-03 -1.0734000000e-03  1.7310000000e-04  4.1608000000e-03 -3.0495000000e-03 -1.1746000000e-03  2.9137000000e-03 -2.3343000000e-03  2.8931000000e-03 -2.5860000000e-04  3.4149000000e-03 -3.6097000000e-03
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6849900000e-01 -4.6458500000e-01 -5.0348900000e-01  3.8296400000e-01 -6.7013000000e-01  5.6612400000e-01  4.1625000000e-01  2.0942130000e+00  1.4792290000e+00  1.0845500000e-01  1.3257110000e+00  9.9871000000e-01  1.2793200000e+00  2.2790420000e+00  1.1088500000e+00
-ENERGY -1.526576308333e+02
-FORCES -5.2380000000e-04  7.0704000000e-03  5.5708000000e-03  4.5431000000e-03  7.9180000000e-04  3.1522000000e-03 -2.8776000000e-03  5.1152000000e-03 -2.7661000000e-03 -2.8617000000e-03 -1.3589100000e-02 -1.4151600000e-02  3.4341000000e-03  1.7806000000e-03  6.8720000000e-03 -1.7142000000e-03 -1.1689000000e-03  1.3226000000e-03
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8105500000e-01 -7.2757600000e-01  2.2190100000e-01  6.1532000000e-02  5.9321100000e-01  7.4869700000e-01  7.5719800000e-01  6.3146800000e-01 -2.5553820000e+00  3.2205800000e-01  2.4577900000e-01 -1.7950350000e+00  8.4824700000e-01 -9.3857000000e-02 -3.1733190000e+00
-ENERGY -1.526593434929e+02
-FORCES  4.6631000000e-03  4.1481000000e-03 -4.7340000000e-04 -2.9741000000e-03  3.6130000000e-03 -2.3040000000e-03  7.3000000000e-05 -4.3553000000e-03 -1.9786000000e-03 -4.7131000000e-03 -2.7580000000e-03  1.0352300000e-02  3.3759000000e-03 -1.7212000000e-03 -9.6899000000e-03 -4.2480000000e-04  1.0733000000e-03  4.0937000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2504000000e-02  5.5606600000e-01  7.7901600000e-01  5.9923000000e-01 -7.1705300000e-01  2.0733900000e-01  1.7646020000e+00 -1.8212030000e+00  1.0319770000e+00  1.7795450000e+00 -2.6002830000e+00  1.5878930000e+00  2.5425700000e+00 -1.9048530000e+00  4.8061500000e-01
-ENERGY -1.526601152754e+02
-FORCES  8.2873000000e-03 -8.1869000000e-03  8.6776000000e-03 -6.2000000000e-04 -8.7560000000e-04 -2.1160000000e-03 -2.3275000000e-03  5.3657000000e-03 -5.8631000000e-03 -2.4625000000e-03 -1.4650000000e-04 -6.9320000000e-04  2.0035000000e-03  3.6959000000e-03 -2.7584000000e-03 -4.8808000000e-03  1.4750000000e-04  2.7531000000e-03
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6607100000e-01  4.1377300000e-01  8.2111500000e-01 -7.6035200000e-01 -5.1733200000e-01 -2.6545000000e-01  2.7571100000e+00 -9.5370000000e-01 -1.5009890000e+00  2.9493220000e+00 -1.6215780000e+00 -8.4279100000e-01  1.9532420000e+00 -1.2569580000e+00 -1.9229630000e+00
-ENERGY -1.526529896798e+02
-FORCES -3.7808000000e-03  1.0720000000e-03  3.0216000000e-03  1.1375000000e-03 -2.0139000000e-03 -3.5204000000e-03  4.2742000000e-03  1.4986000000e-03  3.1300000000e-04 -5.6780000000e-03 -2.1658000000e-03  3.2803000000e-03  2.5250000000e-04  1.9369000000e-03 -2.8969000000e-03  3.7946000000e-03 -3.2790000000e-04 -1.9760000000e-04
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2542000000e-02  6.0722000000e-02  9.5519000000e-01  9.1708300000e-01 -1.2381600000e-01 -2.4466300000e-01  2.6493490000e+00 -3.1068400000e-01 -5.9102400000e-01  2.8043170000e+00  1.8126700000e-01 -1.3973740000e+00  2.6388060000e+00  3.5420700000e-01  9.7481000000e-02
-ENERGY -1.526560003140e+02
-FORCES  1.3799900000e-02 -5.2921000000e-03 -2.4817000000e-03  2.4212000000e-03  6.1290000000e-04 -3.3837000000e-03 -5.7581000000e-03  7.9307000000e-03  5.6557000000e-03 -1.2354000000e-03  4.6909000000e-03 -1.0392000000e-03 -1.9983000000e-03 -2.5894000000e-03  5.1534000000e-03 -7.2294000000e-03 -5.3529000000e-03 -3.9045000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9023000000e-02 -3.9176400000e-01  8.7315000000e-01  9.2792500000e-01  1.9536000000e-02 -2.3410700000e-01 -2.8601450000e+00 -1.3791480000e+00 -1.7812000000e-02 -2.2910930000e+00 -2.0627820000e+00  3.3582000000e-01 -3.5618130000e+00 -1.8563180000e+00 -4.6075800000e-01
-ENERGY -1.526517881794e+02
-FORCES  2.6886000000e-03 -6.9660000000e-04  3.0941000000e-03  3.2110000000e-04  3.7560000000e-04 -3.8505000000e-03 -4.4120000000e-03 -2.5350000000e-04  5.7320000000e-04  8.5060000000e-04 -4.3603000000e-03 -1.6402000000e-03 -2.4884000000e-03  2.7167000000e-03  2.0440000000e-04  3.0402000000e-03  2.2182000000e-03  1.6191000000e-03
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0040200000e-01 -3.3304400000e-01  4.0579600000e-01  2.9876800000e-01  4.3421700000e-01 -7.9901500000e-01 -9.1354600000e-01  1.0350200000e+00  2.3196360000e+00 -1.8119470000e+00  1.3389370000e+00  2.4490250000e+00 -8.2894700000e-01  9.3283600000e-01  1.3716730000e+00
-ENERGY -1.526606060408e+02
-FORCES  3.8016000000e-03 -9.8600000000e-05  4.2741000000e-03 -3.6844000000e-03  2.2245000000e-03 -3.7566000000e-03 -1.4299000000e-03 -1.6178000000e-03  4.6010000000e-03  1.7332000000e-03 -4.2901000000e-03 -1.1342500000e-02  2.7914000000e-03 -1.0777000000e-03 -2.5713000000e-03 -3.2119000000e-03  4.8597000000e-03  8.7953000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7520700000e-01  6.5198400000e-01 -1.8773200000e-01 -3.9183400000e-01 -5.6682000000e-01  6.6439000000e-01 -2.0468430000e+00  2.0151970000e+00 -5.5064300000e-01 -2.7966360000e+00  1.4852830000e+00 -2.8002900000e-01 -1.8423130000e+00  2.5507500000e+00  2.1589700000e-01
-ENERGY -1.526594869817e+02
-FORCES -8.0351000000e-03  5.7013000000e-03 -1.8569000000e-03  6.3796000000e-03 -7.5823000000e-03  5.3985000000e-03  1.2210000000e-04  2.7628000000e-03 -2.1901000000e-03 -4.2690000000e-03  2.8958000000e-03  2.8001000000e-03  6.0968000000e-03  1.3385000000e-03 -3.4830000000e-04 -2.9440000000e-04 -5.1161000000e-03 -3.8033000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2072300000e-01  7.2805100000e-01 -2.9617000000e-02 -1.6835200000e-01 -4.9175300000e-01 -8.0378400000e-01 -3.1375030000e+00 -1.5436350000e+00  2.4032300000e-01 -2.3905490000e+00 -1.9594440000e+00  6.7089900000e-01 -2.7885670000e+00 -1.2272380000e+00 -5.9296500000e-01
-ENERGY -1.526543028867e+02
-FORCES -2.5284000000e-03  2.8017000000e-03 -3.0277000000e-03  2.9729000000e-03 -3.6248000000e-03 -6.3100000000e-04 -9.6400000000e-04  1.1293000000e-03  3.9663000000e-03  5.8847000000e-03 -4.7940000000e-04 -3.2380000000e-04 -4.3700000000e-03  6.4210000000e-04 -2.3525000000e-03 -9.9520000000e-04 -4.6890000000e-04  2.3686000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1786500000e-01 -4.7446300000e-01 -1.4904100000e-01 -6.8248000000e-01 -6.6587200000e-01 -8.4067000000e-02 -3.6746000000e-02  1.5171470000e+00 -2.3683000000e+00 -3.4218400000e-01  1.1415500000e+00 -1.5425480000e+00  8.9740700000e-01  1.6734350000e+00 -2.2298660000e+00
-ENERGY -1.526589087787e+02
-FORCES  2.5005000000e-03 -4.0001000000e-03 -3.8291000000e-03 -3.9401000000e-03  2.5768000000e-03  7.9400000000e-04  3.4046000000e-03  4.4157000000e-03 -8.7550000000e-04  2.8884000000e-03 -5.3686000000e-03  1.3063400000e-02 -3.0303000000e-03  3.1863000000e-03 -7.7827000000e-03 -1.8231000000e-03 -8.1010000000e-04 -1.3701000000e-03
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1508500000e-01 -6.3233300000e-01  7.1000000000e-02 -3.1146100000e-01  6.4410500000e-01 -6.3588700000e-01 -3.2617710000e+00  1.5086670000e+00  3.8466200000e-01 -3.5691130000e+00  1.2194560000e+00  1.2438070000e+00 -3.7738130000e+00  2.2958180000e+00  1.9908700000e-01
-ENERGY -1.526562417884e+02
-FORCES -6.5682000000e-03  1.5807000000e-03 -2.1412000000e-03  3.6978000000e-03  9.8290000000e-04  1.6890000000e-04  3.3530000000e-03 -2.8578000000e-03  1.3534000000e-03 -3.5559000000e-03  2.6307000000e-03  3.7480000000e-03  8.3180000000e-04  9.4670000000e-04 -3.8896000000e-03  2.2415000000e-03 -3.2832000000e-03  7.6060000000e-04
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5842500000e-01  4.5693700000e-01 -8.0041000000e-01  8.1466200000e-01  4.2574400000e-01  2.6701900000e-01 -9.5059100000e-01  1.4820560000e+00 -1.9163270000e+00 -1.7131200000e+00  9.9935700000e-01 -2.2353610000e+00 -1.3064320000e+00  2.0946310000e+00 -1.2726180000e+00
-ENERGY -1.526579112349e+02
-FORCES -4.5225000000e-03  1.1835700000e-02 -1.7523900000e-02  3.7390000000e-04 -4.7551000000e-03  9.0739000000e-03 -3.1240000000e-03  5.3780000000e-04 -1.4813000000e-03 -5.9950000000e-04 -4.7467000000e-03  9.2456000000e-03  4.8739000000e-03  2.0370000000e-03  3.5783000000e-03  2.9982000000e-03 -4.9088000000e-03 -2.8925000000e-03
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5079700000e-01  1.0812200000e-01  2.2955000000e-02  1.7826600000e-01 -3.7376000000e-01 -8.6299300000e-01  3.8133690000e+00 -1.5180910000e+00  1.9154800000e-01  4.6855060000e+00 -1.9105220000e+00  1.5147700000e-01  3.2131140000e+00 -2.2625950000e+00  1.5105600000e-01
-ENERGY -1.526536085161e+02
-FORCES -2.6932000000e-03 -4.2680000000e-04 -3.7038000000e-03  3.9941000000e-03 -4.8950000000e-04 -6.2000000000e-06 -1.2561000000e-03  9.4070000000e-04  3.6994000000e-03  8.0360000000e-04 -4.5372000000e-03  4.6260000000e-04 -3.6182000000e-03  1.6951000000e-03  1.5130000000e-04  2.7699000000e-03  2.8177000000e-03 -6.0340000000e-04
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6675200000e-01  5.1778000000e-02 -6.8483100000e-01  7.7799300000e-01 -3.3311600000e-01 -4.4720600000e-01  2.6772740000e+00 -7.2408000000e-01 -6.6160400000e-01  2.7785630000e+00 -1.2166520000e+00 -1.4760630000e+00  3.3840410000e+00 -7.8866000000e-02 -6.8187500000e-01
-ENERGY -1.526599322237e+02
-FORCES  8.2469000000e-03 -2.3068000000e-03 -3.4678000000e-03  3.5256000000e-03 -7.2530000000e-04  1.3256000000e-03 -1.0867400000e-02  1.0723000000e-03 -1.7630000000e-04  3.8402000000e-03  2.6847000000e-03 -5.7920000000e-04 -2.2577000000e-03  3.4493000000e-03  3.7997000000e-03 -2.4877000000e-03 -4.1742000000e-03 -9.0210000000e-04
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2127800000e-01  8.7399000000e-02 -6.2317800000e-01  3.4695200000e-01 -5.6416600000e-01  6.9106700000e-01 -2.1495180000e+00 -1.6204790000e+00 -6.1813000000e-01 -2.9225920000e+00 -1.2231190000e+00 -2.1726300000e-01 -1.4404190000e+00 -1.0043000000e+00 -4.3446600000e-01
-ENERGY -1.526613836977e+02
-FORCES  2.0362000000e-03 -3.1258000000e-03 -1.3526000000e-03 -3.1030000000e-03 -9.2160000000e-04  4.0376000000e-03 -2.9286000000e-03  2.4588000000e-03 -4.7816000000e-03  8.4341000000e-03  1.0405200000e-02  2.4964000000e-03  2.9881000000e-03 -6.7270000000e-04 -5.4720000000e-04 -7.4268000000e-03 -8.1440000000e-03  1.4740000000e-04
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5214500000e-01  5.2509000000e-02 -8.3036000000e-02  1.5129900000e-01 -7.7442600000e-01  5.4185300000e-01 -3.5049800000e-01  1.9939620000e+00 -2.3505830000e+00  5.6991400000e-01  1.7611340000e+00 -2.4725030000e+00 -3.9209600000e-01  2.3517550000e+00 -1.4637420000e+00
-ENERGY -1.526564248126e+02
-FORCES -4.3126000000e-03 -3.3203000000e-03  3.7540000000e-04  4.1956000000e-03  3.2030000000e-04  2.4443000000e-03 -7.1220000000e-04  3.1362000000e-03 -2.8675000000e-03  6.0167000000e-03 -2.2766000000e-03  5.4229000000e-03 -3.2151000000e-03  2.4332000000e-03 -1.5469000000e-03 -1.9724000000e-03 -2.9280000000e-04 -3.8281000000e-03
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7755900000e-01 -5.1340000000e-01 -5.6487000000e-01 -5.5821200000e-01  4.8669700000e-01 -6.0643000000e-01 -1.8229500000e-01 -1.2191400000e+00  2.5691860000e+00 -1.9860800000e-01 -4.7631100000e-01  3.1726500000e+00 -1.1181000000e-02 -8.2846900000e-01  1.7122560000e+00
-ENERGY -1.526608103225e+02
-FORCES -2.6927000000e-03 -2.9010000000e-04 -1.8929000000e-03 -3.3512000000e-03  2.4561000000e-03  3.2173000000e-03  3.8515000000e-03 -2.1986000000e-03  1.1939000000e-03 -7.4700000000e-05  7.6453000000e-03 -7.9938000000e-03 -2.3670000000e-04 -2.0602000000e-03 -1.6853000000e-03  2.5037000000e-03 -5.5525000000e-03  7.1609000000e-03
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4249700000e-01  2.8595100000e-01 -9.0230700000e-01  7.2005900000e-01 -6.0549500000e-01  1.7641500000e-01  1.8766060000e+00 -1.8483080000e+00  7.5036100000e-01  1.7426000000e+00 -2.5133660000e+00  1.4256180000e+00  2.7818090000e+00 -1.9742330000e+00  4.6578700000e-01
-ENERGY -1.526605312815e+02
-FORCES  9.1015000000e-03 -8.4610000000e-03  1.6630000000e-03  9.0190000000e-04 -1.4446000000e-03  2.6571000000e-03 -5.8097000000e-03  6.5299000000e-03 -3.3023000000e-03 -2.6438000000e-03  1.2784000000e-03  6.8010000000e-04  2.7959000000e-03  2.4190000000e-03 -3.4499000000e-03 -4.3458000000e-03 -3.2170000000e-04  1.7519000000e-03
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4150000000e-01 -4.7770200000e-01 -7.9354300000e-01  7.2641200000e-01  6.0607700000e-01  1.4570100000e-01 -9.3720500000e-01 -3.1645460000e+00  3.9881700000e-01 -1.3413190000e+00 -3.7989510000e+00 -1.9317300000e-01 -1.0450160000e+00 -3.5465590000e+00  1.2698360000e+00
-ENERGY -1.526534295985e+02
-FORCES  3.4615000000e-03 -1.9641000000e-03 -2.9887000000e-03 -3.9710000000e-04  3.9177000000e-03  2.0149000000e-03 -3.0184000000e-03 -2.6266000000e-03 -1.3450000000e-04 -2.5659000000e-03 -3.4400000000e-03  2.9661000000e-03  2.1048000000e-03  3.2086000000e-03  1.9526000000e-03  4.1520000000e-04  9.0440000000e-04 -3.8105000000e-03
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9837300000e-01  2.7670400000e-01 -1.8053400000e-01  5.0679000000e-02 -4.4163900000e-01  8.4771400000e-01  2.3276340000e+00  8.4026000000e-01 -4.1404300000e-01  3.1116630000e+00  1.1244520000e+00  5.5814000000e-02  2.2884150000e+00  1.4100770000e+00 -1.1821590000e+00
-ENERGY -1.526540919874e+02
-FORCES  2.4369400000e-02  7.0863000000e-03 -7.9890000000e-04 -4.2038000000e-03  3.4280000000e-04 -4.7260000000e-03  1.1229000000e-03  1.4325000000e-03 -1.6328000000e-03 -1.8487100000e-02 -5.4789000000e-03  6.1577000000e-03 -3.1591000000e-03 -1.6010000000e-04 -4.2835000000e-03  3.5760000000e-04 -3.2226000000e-03  5.2835000000e-03
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1194500000e-01  2.6169400000e-01 -1.2690300000e-01 -2.3992000000e-02 -5.9988900000e-01  7.4551300000e-01 -1.0466600000e+00 -3.3090270000e+00  2.5080300000e-01 -9.4508600000e-01 -4.1030880000e+00 -2.7396400000e-01 -1.0343580000e+00 -3.6170400000e+00  1.1570090000e+00
-ENERGY -1.526551700635e+02
-FORCES -4.8381000000e-03 -4.6859000000e-03  1.6608000000e-03  3.5584000000e-03  3.0840000000e-04  5.6620000000e-04  1.0665000000e-03  4.5586000000e-03 -9.1870000000e-04  7.2610000000e-04 -5.7992000000e-03 -2.9550000000e-04 -8.1500000000e-04  3.0340000000e-03  2.6298000000e-03  3.0200000000e-04  2.5841000000e-03 -3.6426000000e-03
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9645100000e-01 -2.8267600000e-01 -1.8083500000e-01 -1.1410000000e-01  7.8937500000e-01 -5.2924500000e-01  2.5115090000e+00 -7.1701600000e-01 -7.0127900000e-01  3.3073580000e+00 -1.1376610000e+00 -3.7583600000e-01  2.8267280000e+00  8.9560000000e-03 -1.2396400000e+00
-ENERGY -1.526586777720e+02
-FORCES  1.3355700000e-02 -3.4488000000e-03 -3.9677000000e-03 -7.6883000000e-03  4.5720000000e-03  6.9900000000e-05  1.9125000000e-03 -2.2660000000e-03  8.9740000000e-04 -2.5258000000e-03  1.4964000000e-03  2.7169000000e-03 -2.7195000000e-03  3.0194000000e-03 -3.1623000000e-03 -2.3346000000e-03 -3.3731000000e-03  3.4458000000e-03
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7419600000e-01 -4.6715600000e-01 -7.8918500000e-01 -3.7490100000e-01  8.7538700000e-01 -9.6847000000e-02 -2.8124620000e+00 -1.2968270000e+00  3.3606100000e-01 -1.9577000000e+00 -1.7235990000e+00  3.9504100000e-01 -2.7691670000e+00 -7.8332700000e-01 -4.7058300000e-01
-ENERGY -1.526525282571e+02
-FORCES -3.7497000000e-03  3.4366000000e-03 -2.3185000000e-03 -1.3375000000e-03  3.2480000000e-04  4.4918000000e-03  1.8642000000e-03 -4.0004000000e-03 -5.9650000000e-04  7.3269000000e-03  2.3443000000e-03 -9.0610000000e-04 -4.5260000000e-03 -5.2390000000e-04 -2.5253000000e-03  4.2220000000e-04 -1.5814000000e-03  1.8545000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3910000000e-02  7.6260000000e-01 -5.7239200000e-01 -4.9694500000e-01 -6.3432300000e-01 -5.1663500000e-01  2.1397260000e+00 -1.8330930000e+00  8.1921200000e-01  2.9587130000e+00 -1.6427320000e+00  3.6176900000e-01  1.6292470000e+00 -1.0269780000e+00  7.4290300000e-01
-ENERGY -1.526608397451e+02
-FORCES -2.6940000000e-03 -1.2975000000e-03 -4.8200000000e-03 -1.5200000000e-05 -4.0270000000e-03  2.2144000000e-03  2.0462000000e-03  4.2958000000e-03  1.9104000000e-03 -3.7372000000e-03  7.5785000000e-03 -2.9734000000e-03 -2.9518000000e-03 -1.7520000000e-04  1.0772000000e-03  7.3520000000e-03 -6.3746000000e-03  2.5916000000e-03
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3022000000e-02 -5.8141100000e-01 -7.5467900000e-01  2.5143800000e-01 -5.7906300000e-01  7.1951200000e-01 -2.6368800000e-01 -1.7609670000e+00 -1.9142780000e+00 -1.1911210000e+00 -1.9762500000e+00 -1.8155170000e+00 -1.6669800000e-01 -1.5362750000e+00 -2.8396630000e+00
-ENERGY -1.526585635290e+02
-FORCES  7.8310000000e-04 -1.4937600000e-02 -1.4372100000e-02 -2.8584000000e-03  5.7482000000e-03  6.8238000000e-03 -1.4456000000e-03  6.5990000000e-04 -2.2798000000e-03 -5.1770000000e-04  6.9008000000e-03  4.4907000000e-03  5.8654000000e-03  2.8447000000e-03  6.8700000000e-05 -1.8268000000e-03 -1.2161000000e-03  5.2686000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8135900000e-01  5.3403100000e-01  1.4325100000e-01  7.1612700000e-01  6.3265900000e-01 -5.6004000000e-02 -2.6481390000e+00  2.2247100000e-01  6.7805000000e-02 -2.6626430000e+00 -1.2029900000e-01  9.6141000000e-01 -2.8399040000e+00 -5.3623300000e-01 -4.8339900000e-01
-ENERGY -1.526587161500e+02
-FORCES -1.1841500000e-02  3.0014000000e-03 -1.0153000000e-03  9.5110000000e-03 -6.3360000000e-04  3.7902000000e-03 -4.9071000000e-03 -7.3390000000e-04  2.5440000000e-04  6.0379000000e-03 -7.9759000000e-03 -1.8038000000e-03  2.2144000000e-03  2.8993000000e-03 -4.5845000000e-03 -1.0146000000e-03  3.4428000000e-03  3.3590000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8273200000e-01  4.1514400000e-01 -7.7291900000e-01  7.2254000000e-01 -4.9099000000e-01  3.9127500000e-01 -1.2711660000e+00 -1.7413630000e+00 -1.6830440000e+00 -1.3147980000e+00 -2.5550350000e+00 -1.1807840000e+00 -8.6985500000e-01 -1.1111930000e+00 -1.0846560000e+00
-ENERGY -1.526588896079e+02
-FORCES  3.3840000000e-03 -2.3020000000e-03 -2.7341000000e-03 -4.2398000000e-03 -5.5578000000e-03  3.4218000000e-03 -4.4657000000e-03  1.8080000000e-03 -2.8906000000e-03  5.3298000000e-03  7.9107000000e-03  1.3054500000e-02  1.0467000000e-03  2.4493000000e-03 -9.0320000000e-04 -1.0550000000e-03 -4.3082000000e-03 -9.9483000000e-03
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2764300000e-01  2.3010000000e-01  5.2585000000e-02  1.0879700000e-01 -7.0546000000e-01  6.3774700000e-01  2.6230400000e-01 -1.6547130000e+00  2.0199950000e+00  2.4803500000e-01 -1.0449890000e+00  2.7577380000e+00  9.2248100000e-01 -2.3052840000e+00  2.2590670000e+00
-ENERGY -1.526590400015e+02
-FORCES  3.5280000000e-04 -1.3122300000e-02  1.2706400000e-02  2.6699000000e-03 -8.3320000000e-04  1.5744000000e-03 -1.7865000000e-03  7.0012000000e-03 -4.9901000000e-03  1.9053000000e-03  6.6749000000e-03 -5.6205000000e-03  1.4870000000e-04 -3.8632000000e-03 -3.9917000000e-03 -3.2902000000e-03  4.1428000000e-03  3.2160000000e-04
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1891300000e-01 -7.1233300000e-01 -1.6050000000e-01 -2.6428100000e-01  6.8937300000e-01 -6.0922300000e-01  6.0161000000e-01  2.3277880000e+00 -1.4623590000e+00  1.3105000000e-01  2.7495700000e+00 -2.1813200000e+00  7.5497200000e-01  3.0306220000e+00 -8.3090300000e-01
-ENERGY -1.526590045984e+02
-FORCES  4.5620000000e-04  5.9530000000e-03 -5.9377000000e-03  1.8742000000e-03  3.5833000000e-03 -8.5280000000e-04 -4.1973000000e-03 -7.7533000000e-03  5.0600000000e-03  1.8848000000e-03  4.1586000000e-03  1.5916000000e-03  1.3493000000e-03 -3.0093000000e-03  4.1041000000e-03 -1.3673000000e-03 -2.9323000000e-03 -3.9651000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8692600000e-01 -4.8058000000e-01 -4.6196000000e-01 -4.4090900000e-01  7.7625000000e-01  3.4535000000e-01  1.5848320000e+00 -1.7051270000e+00  1.4918020000e+00  1.2454140000e+00 -2.2044350000e+00  2.2345790000e+00  8.0585900000e-01 -1.3405980000e+00  1.0716210000e+00
-ENERGY -1.526587411104e+02
-FORCES -1.0410000000e-03  2.9482000000e-03  7.1270000000e-04  4.1282000000e-03  1.0414000000e-03  4.7871000000e-03  1.2928000000e-03 -4.2482000000e-03 -2.4157000000e-03 -7.0513000000e-03  6.8082000000e-03 -4.5718000000e-03 -4.4060000000e-04  2.6719000000e-03 -3.0915000000e-03  3.1119000000e-03 -9.2215000000e-03  4.5793000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9528400000e-01  8.6732400000e-01 -2.7710700000e-01  7.7010600000e-01 -3.9706000000e-01  4.0683200000e-01 -2.7762410000e+00  8.8340200000e-01  7.1200800000e-01 -1.9142940000e+00  4.7022900000e-01  7.6268400000e-01 -2.7710750000e+00  1.3474810000e+00 -1.2515100000e-01
-ENERGY -1.526599716109e+02
-FORCES  5.5212000000e-03  1.0894000000e-03 -2.1900000000e-05 -2.4536000000e-03 -4.1689000000e-03  1.6095000000e-03 -3.2745000000e-03  2.4705000000e-03 -2.2230000000e-03  7.8482000000e-03 -3.1701000000e-03 -4.4542000000e-03 -7.7138000000e-03  4.1734000000e-03  2.3546000000e-03  7.2500000000e-05 -3.9420000000e-04  2.7351000000e-03
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1936700000e-01 -2.4403700000e-01 -4.3048300000e-01 -5.8257400000e-01 -7.4381200000e-01 -1.5356800000e-01 -6.2605900000e-01  1.3369170000e+00  2.1265740000e+00 -2.2113100000e-01  6.6869800000e-01  1.5736300000e+00  1.0809600000e-01  1.7477860000e+00  2.5831220000e+00
-ENERGY -1.526567682232e+02
-FORCES -2.3232000000e-03  3.4667000000e-03  5.5652000000e-03 -4.6387000000e-03  1.0290000000e-03  2.4556000000e-03  4.2139000000e-03  3.9516000000e-03  1.4547000000e-03  6.2042000000e-03 -8.1018000000e-03 -1.4573100000e-02 -2.5529000000e-03  1.7337000000e-03  8.0336000000e-03 -9.0330000000e-04 -2.0792000000e-03 -2.9361000000e-03
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1348300000e-01  5.1307600000e-01  6.9427400000e-01  5.4299400000e-01 -6.3751300000e-01  4.6364400000e-01 -1.5963850000e+00 -1.5307590000e+00 -1.5303460000e+00 -1.3306520000e+00 -8.9805500000e-01 -8.6303500000e-01 -2.3721560000e+00 -1.1419150000e+00 -1.9343420000e+00
-ENERGY -1.526585540771e+02
-FORCES  1.4547000000e-03 -4.4895000000e-03  2.2300000000e-04  1.6800000000e-05 -4.2330000000e-03 -4.8851000000e-03 -3.6285000000e-03  4.1001000000e-03 -1.6736000000e-03  7.8744000000e-03  9.6614000000e-03  6.7496000000e-03 -8.6910000000e-03 -5.5953000000e-03 -3.1589000000e-03  2.9735000000e-03  5.5640000000e-04  2.7449000000e-03
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6664200000e-01  2.7552100000e-01 -7.2058100000e-01 -7.0429900000e-01 -4.9128200000e-01 -4.2289200000e-01  7.4188700000e-01  7.1929400000e-01 -2.4344140000e+00  5.4174100000e-01  2.1876400000e-01 -3.2253900000e+00  1.5647000000e-02  1.3372720000e+00 -2.3512840000e+00
-ENERGY -1.526563763376e+02
-FORCES  5.1424000000e-03  2.5840000000e-04 -1.8244500000e-02 -2.9761000000e-03  3.6692000000e-03  6.2768000000e-03  3.8270000000e-04  1.7115000000e-03  1.2172000000e-03 -5.4562000000e-03 -3.4975000000e-03  5.7477000000e-03 -8.4130000000e-04  3.1343000000e-03  4.0354000000e-03  3.7485000000e-03 -5.2759000000e-03  9.6740000000e-04
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6765600000e-01  4.0263400000e-01  4.0598300000e-01 -2.8933600000e-01  6.3841200000e-01 -6.5187900000e-01 -1.5346460000e+00  2.3927990000e+00  1.8894560000e+00 -1.7490510000e+00  1.5954290000e+00  2.3736710000e+00 -1.7797390000e+00  2.1975500000e+00  9.8500100000e-01
-ENERGY -1.526555324943e+02
-FORCES  3.6955000000e-03  4.9489000000e-03 -4.3440000000e-04 -2.9605000000e-03 -2.6159000000e-03 -2.3243000000e-03 -4.5900000000e-04 -2.2139000000e-03  3.2552000000e-03 -1.8628000000e-03 -6.7697000000e-03 -1.9373000000e-03  3.7560000000e-04  4.2975000000e-03 -7.2490000000e-04  1.2111000000e-03  2.3532000000e-03  2.1657000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6583800000e-01  2.2494400000e-01  5.2832300000e-01  2.9237600000e-01 -7.2773300000e-01 -5.4877300000e-01 -1.9835000000e-02 -2.1094430000e+00 -1.6441390000e+00  4.7849900000e-01 -2.9141560000e+00 -1.7867330000e+00 -3.3176200000e-01 -1.8628590000e+00 -2.5148450000e+00
-ENERGY -1.526596541333e+02
-FORCES  1.3136000000e-03 -1.0906200000e-02 -7.1143000000e-03 -1.6165000000e-03 -2.6114000000e-03 -2.4921000000e-03  1.1647000000e-03  8.5000000000e-03  5.0209000000e-03 -7.9560000000e-04  3.1525000000e-03  4.3260000000e-04 -2.5200000000e-03  4.2411000000e-03 -3.2400000000e-05  2.4538000000e-03 -2.3760000000e-03  4.1852000000e-03
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8055500000e-01  5.8293000000e-01 -3.3655500000e-01 -3.4608300000e-01 -3.1630900000e-01  8.3451000000e-01  7.3848600000e-01 -1.0156930000e+00 -2.3986460000e+00  4.4824400000e-01 -8.4926100000e-01 -1.5018230000e+00  1.6860500000e+00 -1.1305570000e+00 -2.3268100000e+00
-ENERGY -1.526606446765e+02
-FORCES -1.7145000000e-03 -4.4960000000e-04 -2.8806000000e-03  3.3853000000e-03 -4.6647000000e-03  2.1352000000e-03  1.1897000000e-03  2.4840000000e-03 -4.3304000000e-03 -5.0690000000e-04  4.1492000000e-03  1.4143800000e-02  2.2330000000e-04 -1.6297000000e-03 -9.3131000000e-03 -2.5769000000e-03  1.1090000000e-04  2.4520000000e-04
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4454500000e-01 -1.4633500000e-01 -5.1504000000e-02 -1.8111200000e-01  6.4229300000e-01 -6.8621400000e-01 -4.6328800000e-01  1.6845710000e+00 -2.0556420000e+00 -1.0021560000e+00  2.4713940000e+00 -2.1378740000e+00  4.1696600000e-01  1.9698760000e+00 -2.3005640000e+00
-ENERGY -1.526587067876e+02
-FORCES -2.3298000000e-03  9.3225000000e-03 -1.1911200000e-02 -2.5452000000e-03  1.7907000000e-03 -1.2772000000e-03  4.9203000000e-03 -5.5727000000e-03  6.5704000000e-03  5.3540000000e-04  1.0330000000e-04  4.1514000000e-03  3.9229000000e-03 -3.4938000000e-03 -6.4770000000e-04 -4.5036000000e-03 -2.1499000000e-03  3.1143000000e-03
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7212800000e-01  2.2014800000e-01  5.2113800000e-01  1.5970900000e-01  7.7876700000e-01 -5.3314800000e-01  1.9070580000e+00 -2.0759830000e+00  3.1272700000e-01  2.6956670000e+00 -1.5609660000e+00  1.4218100000e-01  1.2002450000e+00 -1.4310360000e+00  3.3897000000e-01
-ENERGY -1.526606477374e+02
-FORCES  2.0440000000e-04  1.4117000000e-03 -6.8140000000e-04  3.7523000000e-03 -2.1370000000e-04 -3.0636000000e-03 -1.5958000000e-03 -2.9077000000e-03  3.1982000000e-03 -5.6931000000e-03  1.0125200000e-02 -1.5410000000e-03 -2.0264000000e-03 -1.3463000000e-03  7.3600000000e-05  5.3586000000e-03 -7.0692000000e-03  2.0142000000e-03
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0418000000e-02  2.9481500000e-01 -9.0794100000e-01  9.3626000000e-02  8.0616200000e-01  5.0751200000e-01  1.5610170000e+00 -2.0671230000e+00  5.5637300000e-01  1.0285870000e+00 -1.2739270000e+00  4.9646100000e-01  2.4448840000e+00 -1.7808370000e+00  3.2604600000e-01
-ENERGY -1.526587156862e+02
-FORCES  4.8318000000e-03 -4.8704000000e-03 -1.8792000000e-03  3.2820000000e-04  5.2370000000e-04  5.3441000000e-03  8.7180000000e-04 -4.6473000000e-03 -3.3679000000e-03 -8.8522000000e-03  1.4477800000e-02 -4.4951000000e-03  5.7103000000e-03 -5.8235000000e-03  4.1892000000e-03 -2.8899000000e-03  3.3980000000e-04  2.0890000000e-04
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6336900000e-01  5.3153100000e-01  7.5122800000e-01 -9.3475900000e-01  1.7790800000e-01 -1.0395400000e-01  1.1418200000e-01  9.2917000000e-01 -2.7887430000e+00  1.6055400000e-01  2.1813800000e-01 -2.1495910000e+00 -7.1486400000e-01  1.3685000000e+00 -2.5992630000e+00
-ENERGY -1.526561001488e+02
-FORCES -3.8920000000e-04  5.3058000000e-03  2.7292000000e-03 -2.4077000000e-03 -2.6202000000e-03 -2.6655000000e-03  4.7926000000e-03 -3.4440000000e-04 -2.4232000000e-03 -9.2070000000e-04 -2.1872000000e-03  9.5596000000e-03 -3.0330000000e-03  1.4207000000e-03 -6.9777000000e-03  1.9581000000e-03 -1.5747000000e-03 -2.2230000000e-04
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4284000000e-02  5.7544600000e-01 -7.6414600000e-01 -3.0335800000e-01  5.4594900000e-01  7.2535900000e-01 -1.6262590000e+00 -1.8277670000e+00 -1.0401110000e+00 -8.5017700000e-01 -1.4176760000e+00 -6.5833500000e-01 -1.2952010000e+00 -2.3077310000e+00 -1.7992340000e+00
-ENERGY -1.526590106632e+02
-FORCES -8.8066000000e-03 -9.7100000000e-04 -2.1898000000e-03  4.4240000000e-04 -3.6464000000e-03  3.7487000000e-03  2.0259000000e-03 -1.0994000000e-03 -4.2049000000e-03  9.7890000000e-03  8.1991000000e-03  7.0767000000e-03 -4.2936000000e-03 -6.1452000000e-03 -7.0041000000e-03  8.4300000000e-04  3.6629000000e-03  2.5734000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1211500000e-01 -2.1747800000e-01 -1.9230700000e-01 -3.0274000000e-02  9.0251000000e-01  3.1747700000e-01  2.1284600000e-01  2.9957370000e+00 -1.7587460000e+00  7.6573200000e-01  3.4528390000e+00 -1.1250210000e+00 -2.2250000000e-02  3.6664580000e+00 -2.3999120000e+00
-ENERGY -1.526544067729e+02
-FORCES -4.2129000000e-03  4.7677000000e-03 -2.0727000000e-03  3.2915000000e-03 -9.4800000000e-05  1.3840000000e-03  9.1080000000e-04 -4.0468000000e-03  1.2764000000e-03  2.1628000000e-03  4.9022000000e-03 -1.6030000000e-03 -3.1752000000e-03 -2.5403000000e-03 -1.7341000000e-03  1.0229000000e-03 -2.9879000000e-03  2.7494000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2764600000e-01 -6.8340200000e-01 -6.5795200000e-01 -5.0370000000e-02 -4.6076000000e-01  8.3749300000e-01 -1.7833800000e+00  2.0240350000e+00 -6.9181100000e-01 -1.6924320000e+00  2.6329230000e+00  4.1139000000e-02 -1.1475020000e+00  1.3322120000e+00 -5.0940400000e-01
-ENERGY -1.526607785507e+02
-FORCES -3.2597000000e-03 -1.7770000000e-03  1.1913000000e-03 -2.9190000000e-04  4.2236000000e-03  3.9116000000e-03  7.2990000000e-04  1.5318000000e-03 -4.5274000000e-03  9.8296000000e-03 -7.7089000000e-03  6.0814000000e-03 -3.9290000000e-04 -1.9497000000e-03 -1.5295000000e-03 -6.6151000000e-03  5.6801000000e-03 -5.1275000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1317300000e-01 -1.9447500000e-01  2.1101200000e-01  2.8717000000e-02  8.5909500000e-01 -4.2114600000e-01 -2.4011260000e+00  6.6272000000e-01  1.2342090000e+00 -1.4929200000e+00  6.5287900000e-01  9.3205600000e-01 -2.8842160000e+00  1.0924920000e+00  5.2841000000e-01
-ENERGY -1.526565130468e+02
-FORCES  2.4994000000e-03  2.8320000000e-04  5.3280000000e-04 -4.5334000000e-03  1.4061000000e-03 -2.0863000000e-03 -3.7406000000e-03 -3.9727000000e-03  5.5966000000e-03  8.9051000000e-03 -4.1666000000e-03 -5.9637000000e-03 -6.2041000000e-03  7.4084000000e-03  2.9850000000e-04  3.0736000000e-03 -9.5840000000e-04  1.6221000000e-03
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3122000000e-02  6.8952900000e-01  6.6178500000e-01  3.3903900000e-01  4.4074400000e-01 -7.7912100000e-01  3.9180000000e-03  1.5741120000e+00  2.1945820000e+00  2.5871700000e-01  9.9698000000e-01  2.9144620000e+00 -7.5828200000e-01  2.0489600000e+00  2.5259450000e+00
-ENERGY -1.526611856128e+02
-FORCES  6.2370000000e-04  9.9541000000e-03  1.0287100000e-02  7.4000000000e-05 -5.9981000000e-03 -8.6674000000e-03 -1.1619000000e-03  7.3100000000e-05  3.2068000000e-03 -1.2282000000e-03 -5.1147000000e-03 -7.1370000000e-04 -2.3023000000e-03  3.9284000000e-03 -2.9741000000e-03  3.9946000000e-03 -2.8429000000e-03 -1.1387000000e-03
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9176800000e-01 -2.6970500000e-01  2.1964000000e-01  5.0693300000e-01 -8.1179500000e-01  1.5502000000e-02  1.8153300000e-01  2.1636760000e+00  1.8156260000e+00  3.3122500000e-01  1.6824680000e+00  1.0018310000e+00  9.5049900000e-01  2.7263870000e+00  1.9066110000e+00
-ENERGY -1.526608238712e+02
-FORCES -1.6375000000e-03 -3.2656000000e-03  4.2680000000e-03  4.6245000000e-03  4.9590000000e-04 -1.6975000000e-03 -2.9191000000e-03  2.9872000000e-03 -3.6310000000e-04  2.0529000000e-03 -5.7856000000e-03 -6.7402000000e-03 -2.6150000000e-04  8.4922000000e-03  5.6915000000e-03 -1.8593000000e-03 -2.9240000000e-03 -1.1587000000e-03
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9236100000e-01 -8.0283400000e-01 -3.4313500000e-01  6.8052500000e-01  3.8175600000e-01  5.5441800000e-01 -7.3235000000e-02 -2.4573570000e+00 -1.6824790000e+00  6.7957400000e-01 -3.0415600000e+00 -1.5918310000e+00  1.6241000000e-02 -2.0849620000e+00 -2.5597170000e+00
-ENERGY -1.526586164827e+02
-FORCES  1.6569000000e-03 -5.8802000000e-03 -1.9052000000e-03  2.5992000000e-03  8.1922000000e-03  5.0434000000e-03 -1.9279000000e-03 -2.6103000000e-03 -2.6033000000e-03  1.3080000000e-04 -2.2863000000e-03 -6.0522000000e-03 -2.9351000000e-03  4.7383000000e-03  8.0240000000e-04  4.7610000000e-04 -2.1537000000e-03  4.7149000000e-03
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9997300000e-01 -5.1736300000e-01 -3.9825200000e-01  5.8946400000e-01 -6.4909100000e-01  3.8398500000e-01  3.1102380000e+00  8.4367200000e-01  5.1042200000e-01  2.9852840000e+00  5.8768600000e-01  1.4242540000e+00  3.2198650000e+00  1.6038000000e-02  4.2196000000e-02
-ENERGY -1.526516640911e+02
-FORCES  2.2250000000e-04 -3.9087000000e-03  2.0650000000e-04  3.5283000000e-03  2.5103000000e-03  1.4893000000e-03 -2.1258000000e-03  1.5199000000e-03 -1.2064000000e-03 -6.7150000000e-04 -2.7955000000e-03  9.2090000000e-04  1.1670000000e-04  6.5900000000e-05 -4.2092000000e-03 -1.0701000000e-03  2.6081000000e-03  2.7989000000e-03
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1500000000e-04 -4.7279700000e-01  8.3228300000e-01  9.0610200000e-01  2.8683700000e-01 -1.1373200000e-01  1.3382470000e+00  2.3231910000e+00 -2.7279070000e+00  1.2893760000e+00  2.8914890000e+00 -3.4965950000e+00  5.4588500000e-01  1.7881690000e+00 -2.7742360000e+00
-ENERGY -1.526566268132e+02
-FORCES  4.0995000000e-03 -5.2570000000e-04  3.5912000000e-03  1.2250000000e-04  1.8698000000e-03 -3.2277000000e-03 -4.5940000000e-03 -2.1335000000e-03  6.0670000000e-04 -4.0943000000e-03  4.9400000000e-04 -3.6208000000e-03  8.6900000000e-05 -2.2807000000e-03  2.9470000000e-03  4.3794000000e-03  2.5760000000e-03 -2.9650000000e-04
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2228200000e-01 -6.1186900000e-01  6.6180200000e-01  6.6507400000e-01  5.1690000000e-01  4.5466800000e-01 -1.2879080000e+00  1.5157290000e+00 -1.8614320000e+00 -1.0401190000e+00  1.0259130000e+00 -1.0772680000e+00 -1.5130360000e+00  2.3881560000e+00 -1.5382890000e+00
-ENERGY -1.526597917771e+02
-FORCES  7.2330000000e-04  1.6290000000e-03 -5.9800000000e-05  2.0439000000e-03  3.8791000000e-03 -2.9897000000e-03 -4.4547000000e-03 -2.6431000000e-03 -1.4323000000e-03  5.0708000000e-03 -6.6077000000e-03  9.8534000000e-03 -5.1694000000e-03  6.8831000000e-03 -5.7882000000e-03  1.7861000000e-03 -3.1404000000e-03  4.1660000000e-04
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6060000000e-02 -7.5539900000e-01  5.8607400000e-01 -8.9203800000e-01  3.4680500000e-01 -1.5062000000e-02  2.8074080000e+00 -2.0739490000e+00  2.4220900000e-01  3.4335800000e+00 -2.7890290000e+00  3.5535100000e-01  1.9909710000e+00 -2.5070540000e+00 -6.9540000000e-03
-ENERGY -1.526531479673e+02
-FORCES -3.3988000000e-03 -7.7430000000e-04  3.2815000000e-03 -4.1440000000e-04  1.8665000000e-03 -3.6834000000e-03  3.9664000000e-03 -1.4020000000e-03  5.3000000000e-06 -1.8800000000e-04 -4.5393000000e-03 -1.8210000000e-03 -2.6293000000e-03  3.2284000000e-03 -5.3290000000e-04  2.6639000000e-03  1.6207000000e-03  2.7506000000e-03
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2881400000e-01  7.2018600000e-01 -4.6436000000e-02  8.5612900000e-01  4.2803500000e-01 -7.8650000000e-03  2.7510540000e+00 -5.1910000000e-03 -2.1716400000e-01  2.7622670000e+00 -4.5942600000e-01 -1.0596460000e+00  2.7394700000e+00 -7.0694700000e-01  4.3370900000e-01
-ENERGY -1.526610371771e+02
-FORCES  9.4914000000e-03  3.0662000000e-03 -6.8930000000e-04  4.0755000000e-03 -1.4891000000e-03 -2.9830000000e-04 -1.0592400000e-02 -1.0582000000e-03  1.4963000000e-03 -2.8061000000e-03 -7.1305000000e-03 -1.3441000000e-03  1.8440000000e-04  2.4131000000e-03  4.2359000000e-03 -3.5280000000e-04  4.1985000000e-03 -3.4005000000e-03
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5845400000e-01  6.4374500000e-01 -6.9044700000e-01 -9.4217600000e-01 -1.6479000000e-01 -3.7162000000e-02  1.9759840000e+00 -1.7834780000e+00  5.4055900000e-01  1.3067580000e+00 -1.1199730000e+00  3.7284300000e-01  1.6582520000e+00 -2.5646340000e+00  8.7708000000e-02
-ENERGY -1.526601849709e+02
-FORCES  1.8365000000e-03 -3.4368000000e-03 -4.5040000000e-04 -1.9093000000e-03 -3.6555000000e-03  3.3342000000e-03  4.4975000000e-03  1.7566000000e-03 -1.2777000000e-03 -1.2301800000e-02  7.8179000000e-03 -4.0128000000e-03  7.5763000000e-03 -4.5963000000e-03  1.2561000000e-03  3.0080000000e-04  2.1141000000e-03  1.1506000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8053500000e-01 -5.9314400000e-01 -6.9693100000e-01 -1.9019200000e-01 -5.7427100000e-01  7.4180300000e-01 -1.5075240000e+00 -3.0227930000e+00  2.1859000000e-01 -1.5512030000e+00 -3.5135970000e+00  1.0392210000e+00 -5.7511400000e-01 -2.8456520000e+00  9.4237000000e-02
-ENERGY -1.526525692616e+02
-FORCES -2.5352000000e-03 -4.5679000000e-03 -2.4380000000e-04 -3.4490000000e-04  1.1165000000e-03  3.7727000000e-03  3.3627000000e-03  1.6596000000e-03 -2.9732000000e-03  2.6092000000e-03 -3.0955000000e-03  2.2415000000e-03  3.8540000000e-04  2.9953000000e-03 -3.6108000000e-03 -3.4772000000e-03  1.8920000000e-03  8.1360000000e-04
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2787400000e-01 -9.1867000000e-02  4.7161100000e-01 -6.2156200000e-01  3.0122100000e-01  6.6269000000e-01  2.3356730000e+00 -2.1502700000e-01  1.1290590000e+00  2.7604070000e+00  2.8252800000e-01  1.8278240000e+00  3.0110120000e+00 -3.0991600000e-01  4.5738500000e-01
-ENERGY -1.526582610757e+02
-FORCES  1.6277500000e-02 -9.6830000000e-04  1.0711400000e-02 -6.2233000000e-03 -5.8980000000e-04 -5.1999000000e-03  2.8660000000e-03 -4.5790000000e-04 -6.2700000000e-04 -8.9769000000e-03  3.5904000000e-03 -5.3616000000e-03 -7.4070000000e-04 -2.8135000000e-03 -4.0453000000e-03 -3.2025000000e-03  1.2390000000e-03  4.5225000000e-03
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7679100000e-01 -4.7986600000e-01 -4.7740500000e-01  7.9167000000e-01 -1.1491000000e-01 -5.2562900000e-01  2.5742500000e+00  2.0332300000e-01 -7.7847200000e-01  2.7513660000e+00  8.6727500000e-01 -1.1211600000e-01  2.6417200000e+00  6.7342600000e-01 -1.6095460000e+00
-ENERGY -1.526601650565e+02
-FORCES  1.2414700000e-02 -1.2773000000e-03 -4.5343000000e-03  4.1892000000e-03  1.4291000000e-03 -3.0970000000e-04 -1.1281000000e-02  6.2870000000e-04  1.3515000000e-03 -2.4529000000e-03  5.1963000000e-03  3.7524000000e-03 -4.8050000000e-04 -3.2646000000e-03 -4.6848000000e-03 -2.3895000000e-03 -2.7121000000e-03  4.4250000000e-03
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8635400000e-01  4.9777300000e-01  4.4426600000e-01 -7.5529700000e-01  5.7678000000e-02  5.8517700000e-01 -5.4026000000e-02 -1.9180160000e+00 -2.0539350000e+00  1.2993100000e-01 -1.6659000000e+00 -2.9588270000e+00  6.0578000000e-02 -1.1110980000e+00 -1.5519580000e+00
-ENERGY -1.526611070983e+02
-FORCES -1.0009000000e-03 -1.3338000000e-03  2.2352000000e-03 -3.8827000000e-03 -1.8145000000e-03 -1.3392000000e-03  4.4050000000e-03  1.0428000000e-03 -1.5938000000e-03  7.9630000000e-04  7.6408000000e-03  5.3572000000e-03 -1.7700000000e-04  3.7530000000e-04  3.5538000000e-03 -1.4070000000e-04 -5.9106000000e-03 -8.2133000000e-03
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6599800000e-01  3.1896000000e-02 -9.1894500000e-01  4.2440200000e-01  8.4359400000e-01  1.5641100000e-01  5.6465100000e-01  2.4839870000e+00  1.3568150000e+00  1.2945430000e+00  2.8114660000e+00  1.8824070000e+00 -9.3761000000e-02  2.2191110000e+00  1.9991290000e+00
-ENERGY -1.526617616345e+02
-FORCES  2.6350000000e-03  7.8736000000e-03  1.8280000000e-04  1.1161000000e-03  7.2940000000e-04  3.1572000000e-03 -3.2369000000e-03 -8.6983000000e-03 -4.0499000000e-03 -8.5280000000e-04 -4.4700000000e-04  5.3377000000e-03 -3.8128000000e-03 -1.5357000000e-03 -1.7693000000e-03  4.1514000000e-03  2.0780000000e-03 -2.8584000000e-03
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1466300000e-01 -5.6007200000e-01  5.8109700000e-01 -7.4932300000e-01  2.7157300000e-01  5.3009000000e-01 -1.3004500000e-01  2.6104180000e+00  1.8940110000e+00 -8.0405200000e-01  3.1070210000e+00  1.4299730000e+00  3.0783800000e-01  3.2581500000e+00  2.4462190000e+00
-ENERGY -1.526547271898e+02
-FORCES  2.3600000000e-04  2.0092000000e-03  7.4704000000e-03 -1.7695000000e-03  8.8780000000e-04 -2.8183000000e-03  7.5420000000e-04 -2.5184000000e-03 -3.9518000000e-03  3.9090000000e-04  5.3346000000e-03 -6.8410000000e-04  2.1264000000e-03 -2.9413000000e-03  2.4215000000e-03 -1.7379000000e-03 -2.7719000000e-03 -2.4377000000e-03
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4294200000e-01  3.3008800000e-01 -7.1588200000e-01  7.4563800000e-01 -4.1333600000e-01 -4.3521100000e-01  1.3680970000e+00 -3.4837420000e+00 -4.1771400000e-01  2.0180180000e+00 -2.8610740000e+00 -9.1956000000e-02  1.7602940000e+00 -3.8465100000e+00 -1.2119510000e+00
-ENERGY -1.526535404146e+02
-FORCES -1.7930000000e-04 -1.9560000000e-03 -5.2559000000e-03  2.2440000000e-03 -8.5200000000e-04  2.9324000000e-03 -1.3292000000e-03  2.7833000000e-03  2.3603000000e-03  4.5052000000e-03 -6.8770000000e-04 -7.8090000000e-04 -3.2991000000e-03 -1.3447000000e-03 -2.5712000000e-03 -1.9416000000e-03  2.0570000000e-03  3.3152000000e-03
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9728000000e-01  3.0734200000e-01  8.1482600000e-01  6.0381200000e-01 -6.9073000000e-01  2.7301100000e-01 -1.3770530000e+00 -2.2207900000e+00 -1.4579680000e+00 -1.7860470000e+00 -1.6931100000e+00 -2.1439050000e+00 -7.6274800000e-01 -1.6241260000e+00 -1.0303540000e+00
-ENERGY -1.526586897422e+02
-FORCES -3.7200000000e-04  7.1080000000e-04  6.3663000000e-03  2.8528000000e-03 -1.1581000000e-03 -3.6735000000e-03 -6.1040000000e-03  1.2799000000e-03 -4.0618000000e-03  1.8589000000e-03  1.0302200000e-02  1.2414000000e-03  6.4540000000e-04 -2.4563000000e-03  1.7484000000e-03  1.1189000000e-03 -8.6784000000e-03 -1.6207000000e-03
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3044200000e-01 -2.0649300000e-01 -8.8713000000e-02 -5.8832000000e-02  4.9676900000e-01  8.1608300000e-01  4.6078500000e-01  7.4027000000e-01  2.6889940000e+00 -1.7191200000e-01  6.9449900000e-01  3.4058150000e+00  1.0875600000e+00  4.1711000000e-02  2.8771430000e+00
-ENERGY -1.526595295252e+02
-FORCES  4.1734000000e-03  4.2337000000e-03  1.1212400000e-02 -2.4131000000e-03 -3.5730000000e-04  5.9420000000e-04 -1.9341000000e-03 -2.1637000000e-03 -8.5058000000e-03 -3.8790000000e-04 -5.0659000000e-03  1.1996000000e-03  3.3582000000e-03 -2.8480000000e-04 -3.3919000000e-03 -2.7964000000e-03  3.6380000000e-03 -1.1086000000e-03
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4251300000e-01  5.6801100000e-01  7.3128800000e-01  5.0987400000e-01 -7.9843800000e-01  1.3695700000e-01 -3.2382640000e+00 -1.6565600000e-01 -2.0172000000e-02 -3.9655760000e+00 -7.4483600000e-01 -2.4777000000e-01 -2.4864910000e+00 -7.5047500000e-01  7.4989000000e-02
-ENERGY -1.526566271838e+02
-FORCES  4.9891000000e-03  2.0413000000e-03  3.4724000000e-03 -4.0730000000e-04 -3.0990000000e-03 -3.2600000000e-03 -3.7810000000e-03  2.9378000000e-03 -5.3520000000e-04  3.0592000000e-03 -3.5917000000e-03 -1.0945000000e-03  3.3165000000e-03  1.9778000000e-03  8.0710000000e-04 -7.1766000000e-03 -2.6610000000e-04  6.1020000000e-04
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0554000000e-01  2.8519500000e-01 -4.3127900000e-01 -2.9044900000e-01 -6.3331100000e-01  6.5634400000e-01 -3.4608700000e-01 -2.0365940000e+00  1.7746060000e+00  4.8653400000e-01 -2.5079660000e+00  1.8025790000e+00 -1.0076000000e+00 -2.7229130000e+00  1.6874360000e+00
-ENERGY -1.526606291899e+02
-FORCES -3.9203000000e-03 -9.6917000000e-03  8.8321000000e-03  1.5491000000e-03 -2.2653000000e-03  2.0847000000e-03  1.1665000000e-03  7.9761000000e-03 -6.7902000000e-03  2.7184000000e-03 -3.9910000000e-04 -4.5745000000e-03 -5.1586000000e-03  1.3018000000e-03  2.3330000000e-04  3.6450000000e-03  3.0782000000e-03  2.1450000000e-04
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1864600000e-01 -4.7920000000e-02  2.6462100000e-01  1.1397800000e-01  8.9851200000e-01 -3.0970400000e-01 -2.5643880000e+00  1.0873400000e-01  6.1363000000e-01 -2.6145140000e+00  7.8113600000e-01 -6.5777000000e-02 -2.7316410000e+00  5.7957300000e-01  1.4300670000e+00
-ENERGY -1.526557366813e+02
-FORCES -1.8622500000e-02  8.0670000000e-04  5.8464000000e-03  7.8364000000e-03  3.8791000000e-03 -5.6833000000e-03 -2.9501000000e-03 -2.2315000000e-03  9.6420000000e-04  6.5909000000e-03  3.1924000000e-03 -2.1850000000e-04  5.5745000000e-03 -3.9549000000e-03  4.6012000000e-03  1.5707000000e-03 -1.6918000000e-03 -5.5099000000e-03
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5484000000e-01 -7.3457000000e-01  5.0072600000e-01 -6.9056700000e-01 -3.8745700000e-01 -5.3779800000e-01 -4.3566800000e-01  2.3118920000e+00  1.5697000000e+00 -1.2037250000e+00  2.8410300000e+00  1.3544500000e+00 -4.0728700000e-01  1.6413290000e+00  8.8722500000e-01
-ENERGY -1.526609382854e+02
-FORCES -2.0910000000e-04 -3.3846000000e-03  2.9874000000e-03 -2.2587000000e-03  2.4280000000e-03 -3.7631000000e-03  3.0026000000e-03  2.1266000000e-03  3.1387000000e-03  3.3220000000e-04 -7.6031000000e-03 -6.9468000000e-03  2.0783000000e-03 -2.8240000000e-03 -4.0350000000e-04 -2.9454000000e-03  9.2571000000e-03  4.9873000000e-03
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2864700000e-01 -8.4621300000e-01  1.2813000000e-01 -1.7119300000e-01  4.8079600000e-01  8.0979000000e-01  6.4180000000e-02  2.3596910000e+00 -1.3257550000e+00 -5.1098800000e-01  2.5827090000e+00 -2.0576540000e+00 -2.1738800000e-01  1.4851780000e+00 -1.0570940000e+00
-ENERGY -1.526598098312e+02
-FORCES -4.0800000000e-04  1.5162000000e-03  1.8358000000e-03  2.0016000000e-03  4.4513000000e-03  2.8190000000e-04 -5.5800000000e-04 -2.6057000000e-03 -5.9992000000e-03 -1.2225000000e-03 -1.1152400000e-02  2.2542000000e-03  1.2794000000e-03 -2.4058000000e-03  2.5545000000e-03 -1.0925000000e-03  1.0196400000e-02 -9.2720000000e-04
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5645700000e-01  4.1104600000e-01  1.1727800000e-01  5.5969900000e-01  7.0202200000e-01 -3.3186500000e-01 -2.3974030000e+00  8.8452100000e-01  9.9071700000e-01 -2.8316710000e+00  2.9701800000e-01  1.6091690000e+00 -3.1142580000e+00  1.3279520000e+00  5.3715500000e-01
-ENERGY -1.526605083314e+02
-FORCES -9.9996000000e-03  5.8837000000e-03  4.3360000000e-03  8.3425000000e-03 -2.2121000000e-03 -5.2232000000e-03 -2.9568000000e-03 -1.2817000000e-03  9.4500000000e-04  5.2840000000e-04 -3.9098000000e-03  1.0362000000e-03  2.9190000000e-04  3.9912000000e-03 -3.3035000000e-03  3.7936000000e-03 -2.4713000000e-03  2.2095000000e-03
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2084100000e-01  2.3050300000e-01 -1.2309200000e-01  2.5010100000e-01  4.3721500000e-01  8.1395600000e-01 -2.2292900000e-01 -1.0703490000e+00 -3.6204330000e+00  2.5525400000e-01 -4.2183300000e-01 -3.1037130000e+00  3.3766100000e-01 -1.8461480000e+00 -3.6101020000e+00
-ENERGY -1.526567187108e+02
-FORCES -3.4776000000e-03  2.3975000000e-03  3.9050000000e-03  4.4140000000e-03 -3.7740000000e-04  7.3230000000e-04 -1.1797000000e-03 -1.8614000000e-03 -3.3902000000e-03  4.8504000000e-03 -5.9120000000e-04  3.6797000000e-03 -2.4302000000e-03 -2.3533000000e-03 -4.1604000000e-03 -2.1768000000e-03  2.7858000000e-03 -7.6640000000e-04
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2753000000e-02  7.6402900000e-01  5.6911200000e-01  2.1189700000e-01 -7.4516000000e-01  5.6219900000e-01  2.5358830000e+00 -1.2601700000e-01 -6.6448800000e-01  1.5797430000e+00 -1.0490900000e-01 -6.2469800000e-01  2.8126370000e+00  6.6921000000e-01 -2.0923600000e-01
-ENERGY -1.526554858600e+02
-FORCES  9.9582000000e-03  1.1320000000e-04  3.3669000000e-03  2.1036000000e-03 -4.2525000000e-03 -3.8129000000e-03  1.7273000000e-03  5.3660000000e-03 -5.3242000000e-03 -2.0531400000e-02  4.4615000000e-03  3.2963000000e-03  8.9948000000e-03 -3.5670000000e-03  2.5701000000e-03 -2.2526000000e-03 -2.1211000000e-03 -9.6200000000e-05
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7551700000e-01 -3.3618200000e-01 -1.9153000000e-01  4.1226800000e-01 -6.8799600000e-01  5.2242500000e-01 -1.9566920000e+00 -1.7691730000e+00 -5.5533700000e-01 -2.7688880000e+00 -1.2658210000e+00 -6.1194800000e-01 -2.1358780000e+00 -2.4406470000e+00  1.0287800000e-01
-ENERGY -1.526558304117e+02
-FORCES -1.0302500000e-02 -1.5226200000e-02 -2.4081000000e-03 -3.7880000000e-04  8.6278000000e-03  6.1310000000e-04  1.2840000000e-04  2.1890000000e-03 -2.4600000000e-04  2.2831000000e-03  9.7910000000e-04  3.6995000000e-03  7.2322000000e-03 -3.2490000000e-04  1.7587000000e-03  1.0377000000e-03  3.7552000000e-03 -3.4172000000e-03
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0344700000e-01 -1.8457900000e-01  4.8645100000e-01  4.8115200000e-01 -8.2743700000e-01  8.5050000000e-03  1.6391820000e+00 -2.2110750000e+00  2.8738000000e-02  2.3815720000e+00 -2.1028760000e+00  6.2319800000e-01  1.2002560000e+00 -3.0046960000e+00  3.3491000000e-01
-ENERGY -1.526602894494e+02
-FORCES  6.9840000000e-03 -1.1729200000e-02  5.5260000000e-04  3.0344000000e-03 -1.0813000000e-03 -1.2125000000e-03 -7.8368000000e-03  7.9062000000e-03  9.3180000000e-04  6.4840000000e-04  1.2550000000e-03  3.1859000000e-03 -4.3376000000e-03 -1.7175000000e-03 -2.7638000000e-03  1.5075000000e-03  5.3668000000e-03 -6.9400000000e-04
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1598000000e-02 -7.1930200000e-01  6.2485700000e-01 -4.3850000000e-01  7.4000000000e-01  4.1993900000e-01  6.8643200000e-01  3.1341600000e+00 -1.4220150000e+00 -2.5395000000e-02  2.5592730000e+00 -1.7031560000e+00  1.0802000000e+00  3.4448690000e+00 -2.2372680000e+00
-ENERGY -1.526550125140e+02
-FORCES -1.0050000000e-03  2.5410000000e-04  5.4010000000e-03  4.9860000000e-04  2.9822000000e-03 -2.4962000000e-03  4.9610000000e-04 -3.6334000000e-03 -2.9007000000e-03 -2.3650000000e-04 -2.5324000000e-03 -5.1952000000e-03  1.8616000000e-03  3.8692000000e-03  2.0285000000e-03 -1.6148000000e-03 -9.3960000000e-04  3.1625000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3700000000e-02 -9.3082400000e-01 -2.1063400000e-01 -6.6883500000e-01  3.2964600000e-01 -6.0018800000e-01 -2.2411110000e+00  5.6877900000e-01 -1.6454360000e+00 -2.5323180000e+00  1.1863370000e+00 -2.3162950000e+00 -3.0507780000e+00  2.2831500000e-01 -1.2649690000e+00
-ENERGY -1.526613896517e+02
-FORCES -7.8649000000e-03  2.1240000000e-04 -8.0901000000e-03 -5.0030000000e-04  2.3894000000e-03  1.0680000000e-03  6.8630000000e-03 -1.9838000000e-03  5.8085000000e-03 -1.9284000000e-03  8.9530000000e-04  8.0520000000e-04 -5.5500000000e-05 -3.3786000000e-03  3.3482000000e-03  3.4861000000e-03  1.8652000000e-03 -2.9398000000e-03
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5457700000e-01 -4.1465200000e-01 -1.1829600000e-01  4.0735700000e-01 -3.8677000000e-02 -8.6533000000e-01  2.6362260000e+00  2.7278800000e-01  2.3287160000e+00  3.3929700000e+00  8.0367700000e-01  2.0802670000e+00  2.5893680000e+00 -4.0749200000e-01  1.6569600000e+00
-ENERGY -1.526537929002e+02
-FORCES -3.3658000000e-03 -1.0261000000e-03 -3.9416000000e-03  3.8015000000e-03  1.8108000000e-03  4.0820000000e-04 -8.4000000000e-04 -2.2050000000e-04  4.1788000000e-03  6.3040000000e-04 -6.7100000000e-04 -4.7795000000e-03 -2.9005000000e-03 -2.0692000000e-03  8.5300000000e-04  2.6743000000e-03  2.1760000000e-03  3.2811000000e-03
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3901200000e-01 -1.3213400000e-01  1.3049700000e-01  6.3536000000e-02  4.6073900000e-01 -8.3660900000e-01  1.7529200000e+00 -2.0384630000e+00  1.1963500000e-01  1.1661630000e+00 -1.2932180000e+00  2.4831200000e-01  2.6032080000e+00 -1.7315920000e+00  4.3439300000e-01
-ENERGY -1.526606594282e+02
-FORCES  1.8304000000e-03 -5.1403000000e-03 -3.3636000000e-03  4.5125000000e-03  1.3612000000e-03 -1.7356000000e-03 -1.5190000000e-03 -1.6449000000e-03  4.5001000000e-03 -8.7609000000e-03  1.1839800000e-02  8.0220000000e-04  7.0720000000e-03 -7.0802000000e-03  1.1062000000e-03 -3.1350000000e-03  6.6430000000e-04 -1.3093000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8344600000e-01  2.0032700000e-01 -3.0923200000e-01 -2.4248700000e-01  7.5349100000e-01  5.3822300000e-01  2.6482380000e+00  7.1086000000e-01 -3.5142100000e-01  3.2219660000e+00  1.0797770000e+00  3.2012100000e-01  2.7753500000e+00  1.2766960000e+00 -1.1129350000e+00
-ENERGY -1.526593749733e+02
-FORCES  1.3177300000e-02  5.5149000000e-03  7.4840000000e-04 -8.4030000000e-03 -1.6043000000e-03 -2.9270000000e-03  3.5540000000e-04 -1.8984000000e-03 -1.2166000000e-03 -1.1037000000e-03  1.2514000000e-03  3.1858000000e-03 -2.0345000000e-03 -5.3170000000e-04 -4.4456000000e-03 -1.9915000000e-03 -2.7318000000e-03  4.6550000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2752700000e-01 -1.6433900000e-01  1.7005200000e-01  1.5874100000e-01 -3.8837000000e-01 -8.6035000000e-01  1.0083480000e+00  2.1427280000e+00  3.3602070000e+00  1.0124040000e+00  2.8490710000e+00  4.0061900000e+00  1.4537670000e+00  1.4162480000e+00  3.7961650000e+00
-ENERGY -1.526532046785e+02
-FORCES -3.4820000000e-03 -1.5814000000e-03 -2.5029000000e-03  3.7896000000e-03  2.2720000000e-04 -9.7970000000e-04 -4.9870000000e-04  1.6027000000e-03  3.6112000000e-03  2.2279000000e-03 -6.4650000000e-04  3.8975000000e-03 -1.6230000000e-04 -2.8489000000e-03 -2.7975000000e-03 -1.8745000000e-03  3.2469000000e-03 -1.2286000000e-03
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8000000000e-01 -3.7514200000e-01  3.3181000000e-02  1.1016100000e-01  2.7338000000e-01 -9.1069200000e-01 -2.1442750000e+00 -1.4942990000e+00 -1.2793070000e+00 -2.8483350000e+00 -1.6319900000e+00 -1.9130040000e+00 -1.8715630000e+00 -2.3767580000e+00 -1.0280570000e+00
-ENERGY -1.526594288419e+02
-FORCES -7.9110000000e-03 -2.3596000000e-03 -7.5871000000e-03  5.1100000000e-03  5.9860000000e-04  4.5317000000e-03  1.8841000000e-03  5.4080000000e-04  2.9872000000e-03 -1.0053000000e-03 -3.2737000000e-03 -1.5438000000e-03  3.8639000000e-03 -2.7360000000e-04  2.3443000000e-03 -1.9417000000e-03  4.7675000000e-03 -7.3230000000e-04
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6638800000e-01 -1.4989500000e-01 -5.5354500000e-01 -8.2207000000e-02  9.1097800000e-01  2.8212200000e-01 -9.1638000000e-02 -1.5389490000e+00  2.2265240000e+00 -4.8919200000e-01 -2.2886350000e+00  1.7836320000e+00 -1.6760000000e-03 -8.7588300000e-01  1.5420660000e+00
-ENERGY -1.526585570239e+02
-FORCES -4.0758000000e-03 -1.8093000000e-03  2.6134000000e-03  3.9850000000e-03  9.3550000000e-04  3.1865000000e-03 -1.5000000000e-04 -6.4732000000e-03  1.1040000000e-04  4.3640000000e-04  6.8901000000e-03 -1.6416900000e-02  3.2530000000e-04  1.8004000000e-03  1.0961000000e-03 -5.2080000000e-04 -1.3436000000e-03  9.4105000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6924000000e-02 -6.3133100000e-01 -7.1794900000e-01  9.0653000000e-01  1.0131200000e-01  2.9012100000e-01 -2.6622250000e+00 -2.1110000000e-01  7.3527300000e-01 -1.7866690000e+00 -3.0357400000e-01  3.5966500000e-01 -3.1577330000e+00  2.7087100000e-01  7.3149000000e-02
-ENERGY -1.526577897838e+02
-FORCES  1.4148000000e-03 -2.0830000000e-04  3.1882000000e-03 -3.2217000000e-03  3.3034000000e-03  4.9528000000e-03 -3.4072000000e-03 -9.1830000000e-04 -3.3172000000e-03  1.0440500000e-02  3.8514000000e-03 -2.9629000000e-03 -7.4640000000e-03 -4.1932000000e-03 -3.2914000000e-03  2.2376000000e-03 -1.8349000000e-03  1.4303000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5162600000e-01  6.6098700000e-01 -4.1837500000e-01  5.6976200000e-01 -4.1186700000e-01  6.4959100000e-01  2.8252610000e+00 -1.2434280000e+00  5.4055000000e-02  3.3170500000e+00 -2.0431510000e+00  2.4065000000e-01  2.9373850000e+00 -7.0451800000e-01  8.3714900000e-01
-ENERGY -1.526542932553e+02
-FORCES  8.3246000000e-03 -2.4747000000e-03 -1.7299000000e-03 -2.9441000000e-03 -8.6910000000e-04  2.3780000000e-03 -3.0439000000e-03  3.8494000000e-03  1.3767000000e-03  3.9305000000e-03 -2.4398000000e-03  2.4120000000e-03 -2.3454000000e-03  3.8883000000e-03 -6.7300000000e-04 -3.9218000000e-03 -1.9541000000e-03 -3.7638000000e-03
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8040600000e-01  5.6718500000e-01 -5.0760400000e-01  8.3592500000e-01  4.6600100000e-01  1.7432000000e-02 -5.9781500000e-01 -1.7064010000e+00  1.8296340000e+00  3.0831000000e-01 -2.0120820000e+00  1.7880470000e+00 -6.6982800000e-01 -1.0714280000e+00  1.1169940000e+00
-ENERGY -1.526553270477e+02
-FORCES -2.8590000000e-04 -6.8255000000e-03  1.1229900000e-02  3.1360000000e-03 -2.9978000000e-03  3.7513000000e-03 -4.4207000000e-03 -1.7128000000e-03 -1.8968000000e-03  8.1605000000e-03  1.3394000000e-02 -1.5993100000e-02 -1.2798000000e-03  5.2450000000e-04  1.2189000000e-03 -5.3101000000e-03 -2.3823000000e-03  1.6898000000e-03
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0582400000e-01  6.2860100000e-01  3.9251700000e-01  6.2068400000e-01  5.3897400000e-01 -4.9039800000e-01  1.5463160000e+00 -1.6644890000e+00  2.0185080000e+00  1.2356640000e+00 -2.0201420000e+00  2.8511170000e+00  9.5889700000e-01 -9.3090100000e-01  1.8367950000e+00
-ENERGY -1.526577895709e+02
-FORCES  2.6710000000e-04  4.4406000000e-03 -4.7128000000e-03  3.9423000000e-03 -3.8917000000e-03  7.9700000000e-05 -3.5172000000e-03 -2.0798000000e-03  2.6909000000e-03 -5.3340000000e-03  2.8906000000e-03 -2.0270000000e-03  3.4520000000e-04  1.9147000000e-03 -3.2980000000e-03  4.2966000000e-03 -3.2744000000e-03  7.2672000000e-03
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4838100000e-01 -1.8936400000e-01  5.6595000000e-01 -1.1574000000e-02 -6.9811000000e-01 -6.5478300000e-01  1.1491910000e+00 -3.1025000000e-01  2.8986930000e+00  6.7790300000e-01 -1.0513940000e+00  2.5181340000e+00  4.8086500000e-01  3.6511100000e-01  3.0147060000e+00
-ENERGY -1.526511841325e+02
-FORCES -2.0401000000e-03 -2.8064000000e-03 -6.5160000000e-04  3.9656000000e-03  3.4600000000e-04 -3.9850000000e-04  2.8520000000e-04  2.7748000000e-03  3.5962000000e-03 -4.0459000000e-03  1.1025000000e-03 -5.7785000000e-03  2.3000000000e-04  1.8072000000e-03  2.9175000000e-03  1.6052000000e-03 -3.2240000000e-03  3.1490000000e-04
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3051100000e-01 -8.5169900000e-01  7.4171000000e-02  9.3150700000e-01 -1.9168300000e-01  1.0855900000e-01 -2.1289170000e+00  8.2336300000e-01  1.7797400000e+00 -1.3760010000e+00  7.6664300000e-01  1.1914100000e+00 -2.3086590000e+00  1.7609230000e+00  1.8497800000e+00
-ENERGY -1.526615586951e+02
-FORCES  2.8181000000e-03 -4.4900000000e-03  9.4130000000e-04  2.2547000000e-03  5.7374000000e-03  7.6300000000e-04 -4.3593000000e-03 -1.2510000000e-04 -1.1536000000e-03  6.9284000000e-03  2.0158000000e-03 -5.3333000000e-03 -8.9419000000e-03 -3.3610000000e-04  5.2161000000e-03  1.2999000000e-03 -2.8019000000e-03 -4.3340000000e-04
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6210400000e-01  6.6454600000e-01 -1.9033700000e-01 -2.7557800000e-01 -3.8150800000e-01  8.3351100000e-01  6.0255000000e-02 -1.3813520000e+00 -2.3524970000e+00 -1.5773000000e-01 -7.1622400000e-01 -3.0054280000e+00 -1.8285000000e-02 -9.2832000000e-01 -1.5129580000e+00
-ENERGY -1.526592315180e+02
-FORCES -2.4766000000e-03 -2.1208000000e-03 -3.6830000000e-04  3.4223000000e-03 -5.1174000000e-03 -8.1310000000e-04  8.1690000000e-04  2.9274000000e-03 -4.4390000000e-03  6.8720000000e-04  8.4158000000e-03  1.2238900000e-02 -3.2600000000e-05 -8.3910000000e-04  3.2421000000e-03 -2.4173000000e-03 -3.2658000000e-03 -9.8606000000e-03
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6958300000e-01 -2.7484000000e-01 -8.7636700000e-01 -8.8345000000e-01  3.4869500000e-01 -1.1899400000e-01  5.0042100000e-01  1.1062600000e-01 -2.6514590000e+00  1.2060000000e-01  9.6861100000e-01 -2.8407470000e+00  1.4016160000e+00  2.9953400000e-01 -2.3899350000e+00
-ENERGY -1.526563892644e+02
-FORCES -2.1849000000e-03 -2.5170000000e-04 -1.7862800000e-02  5.4851000000e-03  3.3510000000e-04  7.2891000000e-03  2.2952000000e-03  2.0520000000e-04  8.3750000000e-04 -4.9270000000e-04  6.9880000000e-03  6.7447000000e-03  1.6528000000e-03 -4.3774000000e-03  8.7230000000e-04 -6.7555000000e-03 -2.8992000000e-03  2.1192000000e-03
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7484000000e-02  1.6375600000e-01 -9.3902200000e-01 -1.2647900000e-01  8.5756900000e-01  4.0596800000e-01  1.3368880000e+00  3.8302520000e+00 -4.5966700000e-01  1.0703580000e+00  3.3737560000e+00  3.3833400000e-01  1.8322260000e+00  3.1780660000e+00 -9.5517200000e-01
-ENERGY -1.526538004072e+02
-FORCES -2.4893000000e-03  3.5017000000e-03 -2.6157000000e-03  1.0763000000e-03 -7.2900000000e-04  4.1774000000e-03  2.0047000000e-03 -2.9016000000e-03 -1.2396000000e-03  2.7065000000e-03 -3.6877000000e-03  1.5591000000e-03 -3.1700000000e-04  1.0201000000e-03 -3.7689000000e-03 -2.9811000000e-03  2.7965000000e-03  1.8877000000e-03
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4455700000e-01  5.1274100000e-01  7.3116900000e-01  8.7634000000e-02 -9.1024700000e-01  2.8284800000e-01  2.5661100000e+00  9.1048900000e-01  1.3815800000e+00  2.0676010000e+00  1.7268100000e+00  1.3449590000e+00  3.2001520000e+00  1.0478550000e+00  2.0853940000e+00
-ENERGY -1.526545940017e+02
-FORCES  6.7593000000e-03 -3.1082000000e-03  5.5851000000e-03 -3.5547000000e-03  2.8786000000e-03 -2.7096000000e-03 -2.0112000000e-03  2.5979000000e-03 -1.6944000000e-03  2.7066000000e-03  4.6622000000e-03  1.6951000000e-03 -1.0150000000e-03 -6.1919000000e-03  7.7010000000e-04 -2.8850000000e-03 -8.3860000000e-04 -3.6463000000e-03
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5848000000e-01  8.4014700000e-01  1.3448000000e-02  9.1999200000e-01  2.2644800000e-01  1.3626200000e-01  1.6894780000e+00  2.3266450000e+00 -1.7266410000e+00  2.5661490000e+00  2.0594690000e+00 -2.0028620000e+00  1.3869760000e+00  2.9118290000e+00 -2.4211070000e+00
-ENERGY -1.526562252590e+02
-FORCES  3.5146000000e-03  7.2629000000e-03 -1.9435000000e-03 -3.6300000000e-04 -3.8761000000e-03  1.2080000000e-03 -2.8330000000e-03 -3.1866000000e-03  1.3769000000e-03  1.9294000000e-03  1.0154000000e-03 -5.3273000000e-03 -3.6452000000e-03  1.0426000000e-03  1.6833000000e-03  1.3973000000e-03 -2.2582000000e-03  3.0026000000e-03
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2555000000e-02  6.8695200000e-01  6.6619800000e-01 -1.0179400000e-01  4.6669600000e-01 -8.2949700000e-01 -6.0030100000e-01  7.9026800000e-01 -2.5504880000e+00 -1.3915210000e+00  1.3284210000e+00 -2.5748980000e+00 -8.4146100000e-01 -1.2151000000e-02 -3.0133030000e+00
-ENERGY -1.526606037010e+02
-FORCES -1.8904000000e-03  5.5053000000e-03 -1.1875900000e-02 -8.7580000000e-04 -9.3210000000e-04 -3.6281000000e-03  1.7580000000e-03 -2.0008000000e-03  1.0833900000e-02 -3.4300000000e-03 -4.6208000000e-03  2.1689000000e-03  4.0447000000e-03 -2.9081000000e-03  8.4310000000e-04  3.9350000000e-04  4.9565000000e-03  1.6580000000e-03
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6473900000e-01 -6.8336700000e-01 -8.5812000000e-02  4.6017000000e-01  7.3227200000e-01  4.1018700000e-01  1.3126470000e+00  5.7604600000e-01  2.9831530000e+00  2.1670150000e+00  1.6813700000e-01  2.8420900000e+00  6.9503600000e-01 -1.5524100000e-01  2.9856180000e+00
-ENERGY -1.526571305597e+02
-FORCES  5.4774000000e-03  2.2088000000e-03  2.3184000000e-03 -2.6743000000e-03  1.9548000000e-03  1.0355000000e-03 -2.6453000000e-03 -3.7427000000e-03 -4.4892000000e-03 -1.5050000000e-04 -5.5818000000e-03  1.6786000000e-03 -3.9851000000e-03  1.8202000000e-03 -8.1810000000e-04  3.9779000000e-03  3.3408000000e-03  2.7470000000e-04
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6060700000e-01  4.5001700000e-01 -5.2660600000e-01 -4.6659800000e-01 -7.3933900000e-01  3.8973800000e-01 -1.9222300000e+00  1.3076850000e+00 -1.1097770000e+00 -2.6517460000e+00  8.6493600000e-01 -1.5433810000e+00 -2.3380020000e+00  1.9638860000e+00 -5.5052200000e-01
-ENERGY -1.526570948729e+02
-FORCES -1.7705500000e-02  9.6895000000e-03 -8.8951000000e-03  5.8489000000e-03 -3.8637000000e-03  2.4107000000e-03  5.9100000000e-05  2.1191000000e-03 -1.4997000000e-03  8.2422000000e-03 -6.2885000000e-03  8.0955000000e-03  3.2511000000e-03  2.3800000000e-03  3.7989000000e-03  3.0420000000e-04 -4.0363000000e-03 -3.9103000000e-03
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0040900000e-01  2.8166100000e-01 -6.9022300000e-01  1.6852600000e-01 -9.2281900000e-01 -1.9035900000e-01  1.7496260000e+00  3.6288000000e-02  2.3337170000e+00  1.3943300000e+00  3.9223200000e-01  1.5192840000e+00  2.5731630000e+00  5.0693700000e-01  2.4622010000e+00
-ENERGY -1.526606221442e+02
-FORCES -2.5408000000e-03 -2.9987000000e-03 -2.5144000000e-03  2.4169000000e-03 -2.3713000000e-03  2.5312000000e-03 -1.0040000000e-03  5.0089000000e-03 -2.6920000000e-04 -2.1596000000e-03  3.4225000000e-03 -5.2599000000e-03  6.4569000000e-03 -1.7616000000e-03  6.7242000000e-03 -3.1693000000e-03 -1.2998000000e-03 -1.2119000000e-03
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9890000000e-03  5.1098000000e-02 -9.5582700000e-01 -6.5553100000e-01  6.4001900000e-01  2.7728300000e-01 -6.0140100000e-01  1.0359200000e-01 -2.6026740000e+00 -5.0595400000e-01 -7.9117600000e-01 -2.9290370000e+00 -1.3154890000e+00  4.7349600000e-01 -3.1217890000e+00
-ENERGY -1.526579395307e+02
-FORCES -6.7463000000e-03  4.1278000000e-03 -1.5539300000e-02  4.5001000000e-03 -4.1050000000e-03  4.7056000000e-03  1.4787000000e-03 -1.3732000000e-03  5.8600000000e-05 -1.8836000000e-03 -6.7050000000e-04  7.1611000000e-03 -4.8560000000e-04  5.1739000000e-03  2.1764000000e-03  3.1367000000e-03 -3.1530000000e-03  1.4377000000e-03
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6653000000e-01  2.8126500000e-01 -7.1844700000e-01  8.6284000000e-01 -1.0366900000e-01 -4.0123700000e-01 -1.5397000000e-01 -2.8874140000e+00 -2.1478400000e+00  5.3290000000e-02 -3.0947700000e+00 -3.0590360000e+00 -1.0400090000e+00 -3.2263290000e+00 -2.0201500000e+00
-ENERGY -1.526548151331e+02
-FORCES  1.5632000000e-03 -1.8994000000e-03 -6.1474000000e-03  1.5599000000e-03  1.8410000000e-04  3.2854000000e-03 -2.6710000000e-03  2.1704000000e-03  2.3422000000e-03 -3.4588000000e-03 -3.3562000000e-03 -2.1889000000e-03 -6.7640000000e-04  1.5047000000e-03  3.9600000000e-03  3.6831000000e-03  1.3964000000e-03 -1.2513000000e-03
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9716200000e-01  5.5467700000e-01 -5.0196000000e-01 -5.2001100000e-01 -7.7201800000e-01  2.2317700000e-01 -9.7478500000e-01 -9.5318400000e-01 -3.0142380000e+00 -3.8632200000e-01 -3.3627200000e-01 -2.5790800000e+00 -7.2940300000e-01 -1.8084850000e+00 -2.6614210000e+00
-ENERGY -1.526560717301e+02
-FORCES -6.7061000000e-03 -7.7070000000e-04  1.1888000000e-03  4.7366000000e-03 -2.8754000000e-03 -2.8370000000e-04  3.1982000000e-03  2.7900000000e-03 -1.2604000000e-03  6.1636000000e-03 -1.8213000000e-03  3.6331000000e-03 -5.1905000000e-03 -2.2750000000e-04 -1.9494000000e-03 -2.2018000000e-03  2.9049000000e-03 -1.3283000000e-03
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1279000000e-01 -4.6790000000e-01 -4.3500800000e-01 -4.3203900000e-01  7.1575300000e-01  4.6612400000e-01 -1.5235900000e-01  2.1942750000e+00  1.4822020000e+00  7.6511500000e-01  2.4650690000e+00  1.5160130000e+00 -3.0100600000e-01  1.7456700000e+00  2.3146020000e+00
-ENERGY -1.526586856987e+02
-FORCES -1.5815000000e-03  1.2521900000e-02  5.8801000000e-03  9.7970000000e-04  3.7386000000e-03  3.1328000000e-03 -1.8805000000e-03 -1.0524600000e-02 -2.1409000000e-03  7.3605000000e-03 -5.6201000000e-03 -2.2339000000e-03 -4.8638000000e-03 -4.1240000000e-04  1.6624000000e-03 -1.4400000000e-05  2.9670000000e-04 -6.3004000000e-03
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4759700000e-01 -4.3750100000e-01 -8.0018000000e-02 -6.4285200000e-01 -7.0224700000e-01 -9.9103000000e-02 -1.3742750000e+00  1.0815710000e+00 -2.0586780000e+00 -7.7273400000e-01  6.5138300000e-01 -1.4509630000e+00 -8.0673500000e-01  1.5867670000e+00 -2.6408350000e+00
-ENERGY -1.526580526488e+02
-FORCES -1.4051000000e-03 -2.0176000000e-03 -1.8653000000e-03 -4.9696000000e-03  2.4025000000e-03 -4.1220000000e-04  4.1403000000e-03  6.7507000000e-03 -3.7438000000e-03  1.0871100000e-02 -2.5304000000e-03  1.0689800000e-02 -7.9975000000e-03 -2.6381000000e-03 -6.8502000000e-03 -6.3920000000e-04 -1.9672000000e-03  2.1818000000e-03
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2385300000e-01 -4.3839200000e-01  2.1286400000e-01 -2.7236100000e-01 -3.9094300000e-01 -8.3019000000e-01 -1.4330180000e+00 -1.5371260000e+00  2.5272470000e+00 -1.1551710000e+00 -1.8528850000e+00  3.3870900000e+00 -2.3893000000e+00 -1.5369990000e+00  2.5691430000e+00
-ENERGY -1.526522143469e+02
-FORCES  1.4483000000e-03 -5.3292000000e-03 -6.6200000000e-05 -2.2101000000e-03  2.4351000000e-03 -1.7062000000e-03  8.1490000000e-04  1.8854000000e-03  2.9623000000e-03 -3.5599000000e-03  4.2900000000e-05  3.0327000000e-03 -4.4890000000e-04  1.4197000000e-03 -4.0773000000e-03  3.9557000000e-03 -4.5390000000e-04 -1.4530000000e-04
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9283400000e-01 -3.6569900000e-01 -3.9231400000e-01  2.0128300000e-01  6.2903000000e-02  9.3368100000e-01  6.6328200000e-01  2.4209050000e+00 -9.7973700000e-01  1.6067420000e+00  2.5806630000e+00 -9.5538800000e-01  5.6353400000e-01  1.5236020000e+00 -6.6173100000e-01
-ENERGY -1.526558641310e+02
-FORCES  2.0716000000e-03  2.0166000000e-03  2.0544000000e-03 -3.4684000000e-03  8.6172000000e-03  1.4639000000e-03  2.2020000000e-04  4.6430000000e-04 -6.2580000000e-03 -4.4634000000e-03 -1.3436500000e-02  5.9401000000e-03 -3.2043000000e-03 -3.4954000000e-03  1.0634000000e-03  8.8443000000e-03  5.8338000000e-03 -4.2638000000e-03
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5827400000e-01  9.2378800000e-01  1.9441300000e-01 -3.0621500000e-01 -1.1172700000e-01 -8.9999000000e-01  1.5037000000e-02 -8.3409600000e-01 -2.5688930000e+00  7.3636600000e-01 -1.4157510000e+00 -2.3289040000e+00 -6.1053100000e-01 -1.4010540000e+00 -3.0199520000e+00
-ENERGY -1.526610537354e+02
-FORCES -1.5854000000e-03 -1.2707000000e-03 -1.2402400000e-02 -5.8500000000e-05 -2.8683000000e-03 -2.3117000000e-03  4.9720000000e-04  2.5049000000e-03  1.0069500000e-02  2.7998000000e-03 -3.2173000000e-03  3.9062000000e-03 -4.9229000000e-03  2.4258000000e-03 -2.1920000000e-03  3.2699000000e-03  2.4257000000e-03  2.9304000000e-03
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5792000000e-01  4.1566000000e-01  8.6207000000e-02 -1.9353000000e-01 -9.3280300000e-01 -9.3039000000e-02  2.1810810000e+00  1.7455190000e+00 -2.0882070000e+00  3.0161840000e+00  1.6360770000e+00 -1.6333920000e+00  2.0092250000e+00  8.9081300000e-01 -2.4833980000e+00
-ENERGY -1.526536745477e+02
-FORCES -4.9613000000e-03 -5.4400000000e-04  3.2850000000e-04  3.3727000000e-03 -2.3157000000e-03 -5.5700000000e-05  1.5560000000e-03  3.9596000000e-03 -2.7270000000e-04  9.8290000000e-04 -5.4232000000e-03  2.5360000000e-03 -2.6324000000e-03  7.7530000000e-04 -2.3054000000e-03  1.6822000000e-03  3.5480000000e-03 -2.3080000000e-04
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6216000000e-01  6.5337200000e-01 -5.9847900000e-01 -3.5048000000e-01  2.3989300000e-01  8.5781500000e-01 -1.4834100000e+00  1.6491330000e+00 -1.4049290000e+00 -2.3220040000e+00  1.2091970000e+00 -1.5443840000e+00 -1.5669950000e+00  2.4793150000e+00 -1.8740170000e+00
-ENERGY -1.526589429318e+02
-FORCES -9.0995000000e-03  1.3000700000e-02 -6.9874000000e-03  2.3759000000e-03 -5.5216000000e-03  2.9334000000e-03  2.9460000000e-04 -9.2320000000e-04 -2.1422000000e-03  4.2381000000e-03 -5.9355000000e-03  3.6725000000e-03  3.8693000000e-03  3.9356000000e-03  3.1740000000e-04 -1.6784000000e-03 -4.5559000000e-03  2.2062000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7564500000e-01  2.6339000000e-01  8.4008900000e-01  9.4627700000e-01  2.3856000000e-02  1.4220500000e-01  6.7878000000e-02  1.9456200000e+00 -2.0452300000e+00  8.7211800000e-01  1.7684910000e+00 -2.5331400000e+00 -6.9630000000e-02  1.1600530000e+00 -1.5158850000e+00
-ENERGY -1.526600382074e+02
-FORCES  1.5802000000e-03  4.4220000000e-03  3.8306000000e-03  2.7454000000e-03 -1.9415000000e-03 -3.4735000000e-03 -4.8453000000e-03  4.5700000000e-04 -2.0767000000e-03 -2.0930000000e-04 -9.2268000000e-03  6.6148000000e-03 -1.9257000000e-03 -2.3870000000e-04  2.9421000000e-03  2.6548000000e-03  6.5281000000e-03 -7.8374000000e-03
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5398400000e-01  4.6596000000e-02 -5.8785100000e-01  7.3523400000e-01  3.1208300000e-01 -5.2751000000e-01 -6.4904000000e-02 -2.3651220000e+00  1.2138790000e+00 -6.3170000000e-03 -1.6296340000e+00  6.0407800000e-01 -7.4742200000e-01 -2.1088270000e+00  1.8341320000e+00
-ENERGY -1.526585154950e+02
-FORCES  1.0440000000e-03 -4.2471000000e-03  8.6930000000e-04  4.6547000000e-03 -2.0400000000e-03  3.8123000000e-03 -4.8290000000e-03 -2.0108000000e-03  2.1300000000e-03  5.5300000000e-05  1.7851400000e-02 -5.6856000000e-03 -1.9333000000e-03 -8.6853000000e-03  8.8730000000e-04  1.0084000000e-03 -8.6830000000e-04 -2.0133000000e-03
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4582300000e-01  8.8883400000e-01  2.5647100000e-01 -7.5958900000e-01 -3.3004300000e-01 -4.7992500000e-01  2.4147810000e+00 -1.1000990000e+00 -2.0380300000e-01  1.6688820000e+00 -5.0914200000e-01 -3.0693900000e-01  3.0128690000e+00 -8.5727000000e-01 -9.1059600000e-01
-ENERGY -1.526594594970e+02
-FORCES  2.3646000000e-03 -2.8289000000e-03 -8.8020000000e-04  8.6140000000e-04 -4.6529000000e-03 -2.1420000000e-03  3.0405000000e-03  3.1861000000e-03  2.6801000000e-03 -1.1948000000e-02  6.2101000000e-03  2.6580000000e-04  9.3342000000e-03 -2.4789000000e-03 -1.7086000000e-03 -3.6527000000e-03  5.6450000000e-04  1.7848000000e-03
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7879000000e-01  7.0959000000e-02  6.7114800000e-01  4.8021600000e-01 -1.7377800000e-01 -8.0958400000e-01  3.6476470000e+00  4.1820900000e-01  2.7408000000e-01  4.5003690000e+00  3.2967000000e-01  6.9982400000e-01  3.7863260000e+00  1.0771560000e+00 -4.0620600000e-01
-ENERGY -1.526574598851e+02
-FORCES  6.7476000000e-03 -8.3760000000e-04  5.4000000000e-05 -5.2650000000e-03 -1.8290000000e-04 -2.0864000000e-03 -2.9070000000e-03  1.0110000000e-03  2.0191000000e-03  5.7055000000e-03  2.5225000000e-03 -7.1590000000e-04 -3.4926000000e-03  6.5770000000e-04 -2.0218000000e-03 -7.8850000000e-04 -3.1708000000e-03  2.7511000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9584000000e-01  5.9474000000e-01  4.5551200000e-01 -5.7134900000e-01 -6.6669900000e-01 -3.8118800000e-01 -2.5020950000e+00  4.3839900000e-01  2.0969820000e+00 -2.0924220000e+00 -4.2305800000e-01  2.0176630000e+00 -2.1659930000e+00  7.8894600000e-01  2.9218360000e+00
-ENERGY -1.526580099384e+02
-FORCES -6.3959000000e-03  1.9717000000e-03 -4.1620000000e-04  5.5835000000e-03 -3.9397000000e-03 -2.3751000000e-03  2.3812000000e-03  1.6216000000e-03  2.6065000000e-03  1.3937000000e-03 -3.1025000000e-03  5.8755000000e-03 -1.7037000000e-03  4.8829000000e-03 -1.4904000000e-03 -1.2588000000e-03 -1.4340000000e-03 -4.2002000000e-03
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3725500000e-01  1.9161000000e-01 -3.2732000000e-02 -4.1326200000e-01  7.4932000000e-01 -4.2891300000e-01  1.6314940000e+00  1.8419440000e+00 -1.7756750000e+00  1.4337760000e+00  1.9919040000e+00 -2.7001490000e+00  1.9941750000e+00  9.5653500000e-01 -1.7483830000e+00
-ENERGY -1.526553263830e+02
-FORCES  3.0159000000e-03  8.9099000000e-03 -3.4582000000e-03  1.1000000000e-06 -3.5343000000e-03 -1.6368000000e-03 -1.6490000000e-03 -4.5526000000e-03  2.2155000000e-03  7.8300000000e-04 -3.6800000000e-03 -5.0289000000e-03  4.4430000000e-04 -6.2080000000e-04  4.3957000000e-03 -2.5952000000e-03  3.4778000000e-03  3.5127000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2905600000e-01  4.1301200000e-01  5.9155900000e-01 -1.6715000000e-01 -8.5854400000e-01  3.8883800000e-01 -1.9283180000e+00  1.2684960000e+00 -1.3496460000e+00 -2.2522940000e+00  2.0850870000e+00 -9.6957800000e-01 -1.2709120000e+00  9.5818200000e-01 -7.2694700000e-01
-ENERGY -1.526596437016e+02
-FORCES -3.9205000000e-03  3.5070000000e-04 -1.1576000000e-03 -4.0770000000e-03 -2.2557000000e-03 -2.4617000000e-03  2.2049000000e-03  4.7619000000e-03 -9.5830000000e-04  1.0331300000e-02 -6.1082000000e-03  8.0770000000e-03  2.6634000000e-03 -2.8022000000e-03  3.3510000000e-04 -7.2021000000e-03  6.0536000000e-03 -3.8345000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0809000000e-02  9.1094300000e-01  2.8264000000e-01 -1.5727400000e-01  2.6714000000e-02 -9.4381300000e-01  1.5858970000e+00 -2.3778590000e+00 -7.1107100000e-01  2.2406900000e+00 -3.0452960000e+00 -5.0611700000e-01  1.3784210000e+00 -1.9778960000e+00  1.3345000000e-01
-ENERGY -1.526590882594e+02
-FORCES -7.1400000000e-04  3.0552000000e-03 -4.8806000000e-03  4.3000000000e-04 -3.6682000000e-03 -1.5159000000e-03 -5.6040000000e-04  1.7878000000e-03  4.8065000000e-03 -2.7010000000e-04  1.7690000000e-03  5.0127000000e-03 -2.4468000000e-03  3.0894000000e-03 -4.8800000000e-05  3.5613000000e-03 -6.0333000000e-03 -3.3738000000e-03
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6035200000e-01 -3.9002200000e-01 -5.7275600000e-01 -3.7179000000e-02 -5.2356100000e-01  8.0045800000e-01 -3.1404600000e-01  1.6780960000e+00  2.9035940000e+00 -3.5057300000e-01  1.8965070000e+00  3.8348260000e+00 -1.5713900000e-01  7.3403700000e-01  2.8844880000e+00
-ENERGY -1.526510411698e+02
-FORCES -3.7358000000e-03 -3.0391000000e-03  4.3050000000e-04  3.0794000000e-03  1.6516000000e-03  2.2514000000e-03  5.1110000000e-04  2.6901000000e-03 -1.1598000000e-03  9.6320000000e-04 -2.7338000000e-03  3.4180000000e-03  3.0300000000e-05 -7.2200000000e-04 -4.4109000000e-03 -8.4830000000e-04  2.1531000000e-03 -5.2920000000e-04
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2423900000e-01 -1.4838800000e-01  6.0802200000e-01 -2.2093900000e-01 -8.7190000000e-01 -3.2742600000e-01 -1.7687510000e+00  1.9859340000e+00 -1.0457760000e+00 -1.0963470000e+00  1.4085710000e+00 -6.8417200000e-01 -2.2205530000e+00  1.4495960000e+00 -1.6972730000e+00
-ENERGY -1.526603603241e+02
-FORCES  6.8160000000e-04 -1.2206000000e-03  1.1089000000e-03 -3.3556000000e-03 -1.1492000000e-03 -3.0539000000e-03  1.3121000000e-03  4.1867000000e-03  1.5372000000e-03  6.0159000000e-03 -8.2751000000e-03  2.5973000000e-03 -6.1040000000e-03  5.5744000000e-03 -4.2367000000e-03  1.4500000000e-03  8.8380000000e-04  2.0473000000e-03
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1061800000e-01 -9.3158000000e-02  9.2908200000e-01 -7.5570000000e-01 -5.7217000000e-01 -1.3330800000e-01 -1.5687910000e+00  2.8658060000e+00  6.0848300000e-01 -1.3111000000e+00  2.3892550000e+00  1.3976120000e+00 -2.1116960000e+00  2.2465060000e+00  1.2067700000e-01
-ENERGY -1.526526508323e+02
-FORCES -5.2590000000e-04 -2.9980000000e-03  2.6501000000e-03 -1.8954000000e-03  1.2582000000e-03 -3.6383000000e-03  2.4207000000e-03  3.7897000000e-03  7.8250000000e-04  1.5578000000e-03 -7.3544000000e-03 -7.5110000000e-04 -1.4928000000e-03  2.2538000000e-03 -1.2857000000e-03 -6.4500000000e-05  3.0507000000e-03  2.2427000000e-03
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1823200000e-01  4.8306200000e-01  1.1567200000e-01 -6.4918300000e-01  5.0742200000e-01  4.8715100000e-01 -4.9187100000e-01 -1.7042140000e+00  1.9357730000e+00 -3.1435200000e-01 -1.0243330000e+00  1.2857880000e+00 -8.0366600000e-01 -1.2260860000e+00  2.7041540000e+00
-ENERGY -1.526531375409e+02
-FORCES  8.1200000000e-04 -2.1976000000e-03  6.2606000000e-03 -5.5266000000e-03 -2.6598000000e-03  4.6010000000e-04  5.3601000000e-03 -9.4956000000e-03  3.1845000000e-03  5.2752000000e-03  1.0723500000e-02 -1.4004400000e-02 -7.1685000000e-03  2.2090000000e-03  9.0671000000e-03  1.2477000000e-03  1.4206000000e-03 -4.9680000000e-03
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7725400000e-01 -5.5833100000e-01  6.7983600000e-01 -5.9448800000e-01 -5.7580500000e-01 -4.8089900000e-01  2.1479870000e+00  1.1262330000e+00 -1.3221210000e+00  1.2645720000e+00  9.2784500000e-01 -1.0115530000e+00  2.0225590000e+00  1.8057790000e+00 -1.9844770000e+00
-ENERGY -1.526611675021e+02
-FORCES  3.8508000000e-03 -3.8086000000e-03  1.7000000000e-04 -3.3305000000e-03  1.8576000000e-03 -3.4046000000e-03  3.1455000000e-03  2.7340000000e-03  2.3247000000e-03 -9.7903000000e-03 -3.0106000000e-03  4.8526000000e-03  7.6919000000e-03  4.9961000000e-03 -6.2193000000e-03 -1.5673000000e-03 -2.7685000000e-03  2.2766000000e-03
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5712600000e-01  8.9340000000e-03  7.8840000000e-03  2.4463700000e-01  8.3961500000e-01 -3.8914100000e-01  2.5111800000e-01  1.3965620000e+00  2.2818800000e+00  2.5378100000e-01  9.2063200000e-01  1.4513900000e+00  2.0563200000e-01  2.3188520000e+00  2.0297990000e+00
-ENERGY -1.526547556706e+02
-FORCES -4.0499000000e-03  3.9632000000e-03  2.2682000000e-03  6.3486000000e-03  1.4302000000e-03  9.2380000000e-04 -1.1681000000e-03 -2.5901000000e-03  9.5359000000e-03 -4.5820000000e-04 -9.3008000000e-03 -1.3466500000e-02 -4.5830000000e-04  1.0805200000e-02  2.9927000000e-03 -2.1410000000e-04 -4.3076000000e-03 -2.2542000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3976000000e-01  5.8447300000e-01  1.6546500000e-01  3.9015500000e-01 -7.6945000000e-01 -4.1467800000e-01  1.7947420000e+00  1.9015570000e+00  2.9745900000e-01  1.5731900000e+00  2.4847390000e+00  1.0234380000e+00  2.6335220000e+00  1.5143920000e+00  5.4802400000e-01
-ENERGY -1.526579316009e+02
-FORCES  1.3034800000e-02  1.3499000000e-02  4.5960000000e-04 -4.6453000000e-03 -9.5345000000e-03  7.5990000000e-04  1.1607000000e-03  3.4065000000e-03  1.6622000000e-03 -5.1496000000e-03 -3.4797000000e-03  2.2011000000e-03  2.1042000000e-03 -3.9539000000e-03 -3.8029000000e-03 -6.5047000000e-03  6.2600000000e-05 -1.2799000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1984700000e-01 -9.4961800000e-01 -9.7130000000e-03 -8.7468300000e-01  1.2775800000e-01  3.6720500000e-01  1.7527170000e+00  1.3492360000e+00  1.8918190000e+00  1.4532650000e+00  5.9828100000e-01  1.3793470000e+00  2.6834450000e+00  1.1824260000e+00  2.0406530000e+00
-ENERGY -1.526589725185e+02
-FORCES -6.1406000000e-03 -7.2300000000e-04  1.5150000000e-04  1.2965000000e-03  5.4481000000e-03  1.8880000000e-03  4.3301000000e-03 -1.7017000000e-03 -2.1510000000e-03 -2.3860000000e-03 -4.2745000000e-03 -6.1268000000e-03  6.5578000000e-03  1.8746000000e-03  7.6934000000e-03 -3.6579000000e-03 -6.2350000000e-04 -1.4552000000e-03
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4670000000e-02  5.8133000000e-01  7.5913900000e-01  6.2458300000e-01  3.7087700000e-01 -6.2336000000e-01 -5.7955400000e-01 -3.1222940000e+00  1.4559220000e+00 -7.1626400000e-01 -4.0670940000e+00  1.5258830000e+00 -5.4353000000e-02 -2.8982640000e+00  2.2241710000e+00
-ENERGY -1.526519438152e+02
-FORCES  2.4076000000e-03  3.4678000000e-03  4.0220000000e-04  3.5900000000e-05 -2.6230000000e-03 -2.8314000000e-03 -2.6816000000e-03 -1.6899000000e-03  2.5639000000e-03  2.0515000000e-03 -2.2071000000e-03  3.1696000000e-03  5.5370000000e-04  4.0957000000e-03 -6.7780000000e-04 -2.3670000000e-03 -1.0434000000e-03 -2.6265000000e-03
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2536800000e-01  2.3587000000e-01 -6.5510000000e-02 -2.2628000000e-01 -3.2789300000e-01 -8.7035300000e-01  7.4023700000e-01 -5.4562400000e-01 -2.7834270000e+00  1.5540490000e+00 -5.1843000000e-02 -2.6828220000e+00  1.2513700000e-01  8.0673000000e-02 -3.1650500000e+00
-ENERGY -1.526569111985e+02
-FORCES  5.4892000000e-03 -3.7962000000e-03 -1.0226400000e-02 -1.8243000000e-03  7.9160000000e-04  9.1180000000e-04 -4.3777000000e-03  3.5627000000e-03  5.3001000000e-03  2.6503000000e-03  5.0504000000e-03 -1.3613000000e-03 -4.1885000000e-03 -2.1026000000e-03  9.4890000000e-04  2.2509000000e-03 -3.5059000000e-03  4.4268000000e-03
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7530300000e-01 -3.4347100000e-01 -8.1080600000e-01 -9.0951400000e-01  1.9924100000e-01 -2.2207700000e-01  1.8803640000e+00 -1.9917530000e+00 -1.3453220000e+00  2.2014250000e+00 -2.8914050000e+00 -1.2838480000e+00  2.4320980000e+00 -1.4980590000e+00 -7.3861900000e-01
-ENERGY -1.526586675447e+02
-FORCES -1.3443000000e-03 -3.6169000000e-03 -5.3675000000e-03 -1.3377000000e-03  6.1045000000e-03  4.7398000000e-03  3.1696000000e-03 -1.0074000000e-03  5.9980000000e-04  3.1105000000e-03 -3.6225000000e-03  4.1503000000e-03 -3.2790000000e-04  3.7404000000e-03 -9.1000000000e-05 -3.2702000000e-03 -1.5982000000e-03 -4.0313000000e-03
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9585000000e-02  7.5034000000e-02  9.5343300000e-01 -8.4896100000e-01  3.7443200000e-01 -2.3515500000e-01 -1.6423240000e+00  1.7365030000e+00  1.9343560000e+00 -2.3828750000e+00  2.3000640000e+00  2.1584440000e+00 -1.9097210000e+00  8.6338100000e-01  2.2213920000e+00
-ENERGY -1.526558747854e+02
-FORCES -3.9800000000e-03  6.9680000000e-03  4.3317000000e-03 -4.8190000000e-04 -3.6626000000e-03 -2.2447000000e-03  2.5414000000e-03 -4.2090000000e-03 -1.0929000000e-03 -4.4306000000e-03  4.8200000000e-04  3.3746000000e-03  3.1445000000e-03 -2.9446000000e-03 -1.3622000000e-03  3.2066000000e-03  3.3662000000e-03 -3.0066000000e-03
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7487800000e-01 -1.3874000000e-02  3.8810800000e-01  4.7332500000e-01  6.6581100000e-01  4.9889000000e-01  7.3708000000e-02 -1.4463000000e-01  3.3164860000e+00 -3.9968600000e-01  5.8307200000e-01  2.9132760000e+00  9.9633000000e-01  9.9883000000e-02  3.2442760000e+00
-ENERGY -1.526515311817e+02
-FORCES -1.7205000000e-03  3.6270000000e-04  5.5143000000e-03  3.2545000000e-03  1.7649000000e-03 -1.8695000000e-03 -1.8893000000e-03 -1.5657000000e-03 -1.1721000000e-03  2.8048000000e-03  2.7660000000e-03 -2.0488000000e-03  1.8559000000e-03 -3.1091000000e-03 -3.9780000000e-04 -4.3053000000e-03 -2.1890000000e-04 -2.6100000000e-05
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5532900000e-01  2.0231000000e-02 -5.6300000000e-02  2.8888300000e-01  7.1750600000e-01 -5.6388200000e-01  2.3813410000e+00  1.0432860000e+00 -1.5684950000e+00  2.4252280000e+00  1.9922350000e+00 -1.6859730000e+00  3.2131780000e+00  8.1404300000e-01 -1.1540950000e+00
-ENERGY -1.526575235570e+02
-FORCES  1.4954000000e-03  2.9641000000e-03 -4.4962000000e-03  3.9810000000e-03  5.2410000000e-04 -4.2730000000e-04 -6.8475000000e-03 -1.2499000000e-03  4.4538000000e-03  6.3290000000e-03  2.3170000000e-04  1.9810000000e-03 -2.0786000000e-03 -4.4826000000e-03  1.2935000000e-03 -2.8793000000e-03  2.0126000000e-03 -2.8048000000e-03
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0332800000e-01  9.3030600000e-01 -9.7063000000e-02  2.6102700000e-01 -9.4296000000e-02  9.1608100000e-01 -3.2676110000e+00 -9.4249300000e-01  1.0395250000e+00 -2.7937170000e+00 -6.6854400000e-01  2.5428000000e-01 -3.0972040000e+00 -2.4895400000e-01  1.6768610000e+00
-ENERGY -1.526559139712e+02
-FORCES  3.2041000000e-03  2.8939000000e-03  3.7025000000e-03 -6.9170000000e-04 -4.6221000000e-03  7.1170000000e-04 -1.4899000000e-03  1.1414000000e-03 -4.0989000000e-03  4.5696000000e-03  3.5233000000e-03 -1.8526000000e-03 -4.9576000000e-03 -5.1240000000e-04  3.4565000000e-03 -6.3450000000e-04 -2.4241000000e-03 -1.9193000000e-03
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3937700000e-01 -6.3705000000e-02 -9.2459300000e-01  5.1689900000e-01 -7.8773100000e-01  1.6890100000e-01 -3.1989300000e-01 -6.5350600000e-01 -2.7955580000e+00 -1.0459020000e+00 -5.9332000000e-02 -2.9855570000e+00  4.2131000000e-01 -2.8918200000e-01 -3.2794160000e+00
-ENERGY -1.526599661814e+02
-FORCES  5.2150000000e-04 -6.8905000000e-03 -1.0963700000e-02 -1.7609000000e-03  5.7459000000e-03  7.5059000000e-03 -8.0370000000e-04  2.6548000000e-03  5.6590000000e-04  1.1456000000e-03  2.4307000000e-03 -3.9607000000e-03  5.0588000000e-03 -2.2767000000e-03  3.9647000000e-03 -4.1614000000e-03 -1.6642000000e-03  2.8879000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7125100000e-01  2.6693100000e-01 -7.8924200000e-01 -6.6573400000e-01 -2.3520000000e-03  6.8776800000e-01 -1.0517740000e+00 -6.4127300000e-01  2.3916900000e+00 -1.8159520000e+00 -6.5212000000e-02  2.4121070000e+00 -1.3919860000e+00 -1.5002280000e+00  2.6420550000e+00
-ENERGY -1.526550422977e+02
-FORCES -4.5744000000e-03 -3.7185000000e-03  1.0026800000e-02 -2.5760000000e-04 -1.4012000000e-03  4.7739000000e-03 -1.6991000000e-03  6.6116000000e-03 -7.0137000000e-03 -1.0000000000e-06 -3.7494000000e-03 -1.8997000000e-03  5.6239000000e-03 -2.6982000000e-03 -5.6259000000e-03  9.0810000000e-04  4.9558000000e-03 -2.6150000000e-04
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9322400000e-01 -4.7042900000e-01  4.6299900000e-01  3.8418300000e-01  5.7421700000e-01  6.6250300000e-01  1.3567690000e+00  1.6453320000e+00  1.9665060000e+00  7.3802500000e-01  1.3848170000e+00  2.6487960000e+00  1.2126800000e+00  2.5853940000e+00  1.8580910000e+00
-ENERGY -1.526592453860e+02
-FORCES  4.5505000000e-03  4.8129000000e-03  7.3741000000e-03  2.7133000000e-03  2.4844000000e-03 -8.4300000000e-05 -8.1801000000e-03 -6.2728000000e-03 -4.5847000000e-03 -7.0830000000e-04  4.4092000000e-03  3.0904000000e-03  1.4743000000e-03 -6.3900000000e-05 -6.6725000000e-03  1.5040000000e-04 -5.3698000000e-03  8.7700000000e-04
-
-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1809900000e-01 -4.3192100000e-01  6.7915300000e-01  4.6414800000e-01 -1.9245600000e-01 -8.1471400000e-01 -2.9144580000e+00 -3.8191400000e-01  1.9856000000e+00 -2.3912120000e+00  2.9890000000e-03  2.6886610000e+00 -3.1726290000e+00  3.6322700000e-01  1.4430640000e+00
-ENERGY -1.526541635742e+02
-FORCES  3.4952000000e-03 -3.9096000000e-03 -2.7820000000e-04 -1.4328000000e-03  2.4940000000e-03 -2.6084000000e-03 -2.0548000000e-03  8.8090000000e-04  3.3196000000e-03  2.5357000000e-03  5.2733000000e-03 -1.4964000000e-03 -1.9833000000e-03 -1.9548000000e-03 -2.0239000000e-03 -5.6010000000e-04 -2.7839000000e-03  3.0872000000e-03
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7762200000e-01 -6.5528200000e-01  5.0863900000e-01  3.9649300000e-01  8.3431000000e-01  2.5090300000e-01  1.5670670000e+00  1.1313670000e+00 -3.0118290000e+00  1.9989970000e+00  1.1142810000e+00 -3.8658650000e+00  6.3638500000e-01  1.2242080000e+00 -3.2154050000e+00
-ENERGY -1.526549297771e+02
-FORCES  5.3501000000e-03  7.4030000000e-04  2.0535000000e-03 -2.2388000000e-03  2.4497000000e-03 -1.4528000000e-03 -2.6584000000e-03 -3.2379000000e-03 -9.3800000000e-05 -3.1318000000e-03 -6.2720000000e-04 -4.0011000000e-03 -1.6822000000e-03 -1.1950000000e-04  3.5854000000e-03  4.3611000000e-03  7.9460000000e-04 -9.1200000000e-05
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1085900000e-01 -8.0030100000e-01 -1.2154600000e-01 -9.1120700000e-01 -2.8301700000e-01 -7.6381000000e-02  1.6963100000e+00 -2.0082200000e+00 -3.0220100000e-01  1.4178990000e+00 -2.8997060000e+00 -9.2505000000e-02  2.4985380000e+00 -1.8819010000e+00  2.0445900000e-01
-ENERGY -1.526592232461e+02
-FORCES  1.0120700000e-02 -1.3780800000e-02 -2.8257000000e-03 -7.4299000000e-03  6.8056000000e-03  1.7222000000e-03  3.4640000000e-03 -1.4266000000e-03  1.2260000000e-04 -2.8459000000e-03  5.3762000000e-03  4.0431000000e-03  1.0899000000e-03  5.2363000000e-03 -4.8310000000e-04 -4.3988000000e-03 -2.2107000000e-03 -2.5791000000e-03
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9805800000e-01  3.1291400000e-01 -1.0866600000e-01 -2.4903700000e-01 -3.2043900000e-01 -8.6690900000e-01  6.7267500000e-01 -2.4702040000e+00  1.2705650000e+00  2.0335500000e-01 -3.1447290000e+00  7.7966000000e-01  3.0882000000e-01 -1.6443220000e+00  9.5156700000e-01
-ENERGY -1.526605327915e+02
-FORCES  4.0431000000e-03  5.0310000000e-04 -4.3563000000e-03 -5.1199000000e-03 -2.3744000000e-03  4.8300000000e-04  1.5493000000e-03  7.0800000000e-05  5.2451000000e-03 -5.5400000000e-03  8.7807000000e-03 -5.1620000000e-03  1.3062000000e-03  2.9032000000e-03  5.1740000000e-04  3.7613000000e-03 -9.8834000000e-03  3.2728000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2867200000e-01  4.3080800000e-01 -7.8905700000e-01 -9.0138700000e-01  3.1059200000e-01  8.5242000000e-02 -2.3770310000e+00  1.4574770000e+00 -6.4092300000e-01 -3.2413620000e+00  1.0722160000e+00 -4.9691600000e-01 -2.1549400000e+00  1.2190530000e+00 -1.5409570000e+00
-ENERGY -1.526582912888e+02
-FORCES -8.6448000000e-03  8.7131000000e-03 -2.6535000000e-03 -1.2468000000e-03 -1.9902000000e-03  1.0884000000e-03  6.0349000000e-03 -6.5923000000e-03  5.0690000000e-04 -2.2553000000e-03 -1.4885000000e-03 -4.1354000000e-03  5.3335000000e-03  1.0886000000e-03 -5.1060000000e-04  7.7850000000e-04  2.6940000000e-04  5.7042000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5995900000e-01 -3.9049800000e-01  4.3151500000e-01 -3.4212200000e-01  7.8842600000e-01 -4.2138900000e-01 -2.5769710000e+00 -6.3940600000e-01  8.4565200000e-01 -2.5861420000e+00 -1.3719520000e+00  1.4617080000e+00 -3.0769170000e+00 -9.5325100000e-01  9.2137000000e-02
-ENERGY -1.526598173636e+02
-FORCES -1.4734300000e-02  2.4140000000e-04  3.8219000000e-03  9.1724000000e-03 -1.3149000000e-03 -1.0697000000e-03  1.6185000000e-03 -1.9892000000e-03 -4.2000000000e-05 -5.9930000000e-04 -2.2739000000e-03 -2.5670000000e-03  1.8560000000e-03  3.7690000000e-03 -4.3903000000e-03  2.6868000000e-03  1.5676000000e-03  4.2470000000e-03
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3993200000e-01 -1.7889600000e-01 -9.2986400000e-01  7.0677900000e-01 -5.9310900000e-01  2.5478900000e-01  1.0134000000e-02 -7.7181000000e-01 -2.7945310000e+00 -1.9105600000e-01 -1.6292080000e+00 -3.1695290000e+00 -2.8401600000e-01 -1.4556500000e-01 -3.4559880000e+00
-ENERGY -1.526613196387e+02
-FORCES  2.5861000000e-03 -4.8979000000e-03 -9.7661000000e-03 -9.7410000000e-04  4.0038000000e-03  8.4694000000e-03 -2.1472000000e-03  1.4155000000e-03  2.6300000000e-05 -1.6910000000e-03 -1.3005000000e-03 -2.7291000000e-03  1.2187000000e-03  4.4654000000e-03  7.6480000000e-04  1.0074000000e-03 -3.6863000000e-03  3.2347000000e-03
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4068700000e-01 -7.4536600000e-01 -2.6137800000e-01  5.3668500000e-01  4.7500700000e-01  6.3448400000e-01  1.0248690000e+00  1.0558660000e+00  2.5852850000e+00  1.9231690000e+00  8.6056700000e-01  2.8520210000e+00  4.7966400000e-01  6.0381800000e-01  3.2292070000e+00
-ENERGY -1.526604517838e+02
-FORCES  5.4094000000e-03  1.9320000000e-03  6.5930000000e-03 -1.4505000000e-03  2.4036000000e-03  1.4062000000e-03 -2.5516000000e-03 -3.8516000000e-03 -9.0258000000e-03 -7.6450000000e-04 -2.8145000000e-03  5.2913000000e-03 -4.4531000000e-03  4.5100000000e-05 -2.0139000000e-03  3.8103000000e-03  2.2853000000e-03 -2.2508000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1783100000e-01 -9.1367800000e-01  2.5988400000e-01  5.5531300000e-01  3.7433300000e-01  6.8391100000e-01 -2.6734610000e+00  5.4999600000e-01 -9.8347000000e-02 -3.0170410000e+00 -7.3000000000e-03  5.9994100000e-01 -1.7306010000e+00  3.8495900000e-01 -9.5112000000e-02
-ENERGY -1.526588156367e+02
-FORCES -1.5742000000e-03  4.4680000000e-04  3.2933000000e-03 -2.1981000000e-03  6.4222000000e-03 -3.3980000000e-04 -2.8866000000e-03 -3.3012000000e-03 -3.1864000000e-03  1.4629400000e-02 -2.4408000000e-03  1.9361000000e-03  2.5523000000e-03  7.6390000000e-04 -1.9476000000e-03 -1.0522800000e-02 -1.8908000000e-03  2.4440000000e-04
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9314800000e-01  7.7864100000e-01  5.2215300000e-01 -8.3351600000e-01 -3.1979800000e-01  3.4527100000e-01  8.8857500000e-01  2.4380510000e+00  8.6336000000e-01  1.5195760000e+00  2.5311370000e+00  1.4963400000e-01  1.3679500000e-01  2.9632370000e+00  5.8906700000e-01
-ENERGY -1.526603134550e+02
-FORCES  3.8208000000e-03  1.0704200000e-02  6.8971000000e-03 -5.5851000000e-03 -8.6935000000e-03 -5.0746000000e-03  2.4983000000e-03  3.2939000000e-03 -2.8470000000e-04  1.9100000000e-04 -2.9200000000e-04 -6.8989000000e-03 -4.0261000000e-03 -2.2740000000e-04  3.9596000000e-03  3.1011000000e-03 -4.7853000000e-03  1.4015000000e-03
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9461000000e-02 -2.1756300000e-01 -9.3168100000e-01 -8.7570300000e-01  3.6243100000e-01  1.3423600000e-01 -2.7111990000e+00  8.5442400000e-01  9.0029200000e-01 -2.8376170000e+00  1.5249230000e+00  1.5716210000e+00 -3.4084880000e+00  1.0165410000e+00  2.6488900000e-01
-ENERGY -1.526608768401e+02
-FORCES -8.0401000000e-03  1.7761000000e-03  2.7670000000e-04 -9.5170000000e-04  9.6200000000e-04  2.9015000000e-03  9.3604000000e-03 -2.5162000000e-03 -4.4575000000e-03 -3.7184000000e-03  3.3369000000e-03  2.1447000000e-03 -4.9880000000e-04 -3.0498000000e-03 -3.6661000000e-03  3.8485000000e-03 -5.0900000000e-04  2.8007000000e-03
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4367500000e-01 -6.8667700000e-01  3.8616600000e-01 -8.5941700000e-01 -1.1844100000e-01  4.0448200000e-01 -2.6278330000e+00  1.2533200000e-01 -2.5172530000e+00 -3.2587310000e+00  5.2044700000e-01 -3.1189870000e+00 -3.0293990000e+00 -7.0438400000e-01 -2.2592830000e+00
-ENERGY -1.526529289460e+02
-FORCES -2.1502000000e-03 -2.5762000000e-03  2.4170000000e-03 -2.3038000000e-03  2.7059000000e-03 -1.8120000000e-03  3.9167000000e-03 -2.3570000000e-04 -5.9650000000e-04 -3.8197000000e-03 -1.8107000000e-03 -2.2604000000e-03  2.8078000000e-03 -1.6740000000e-03  2.5885000000e-03  1.5493000000e-03  3.5908000000e-03 -3.3650000000e-04
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2368300000e-01  1.6798600000e-01 -7.0642200000e-01  2.7039000000e-01 -8.4325400000e-01  3.6337800000e-01  1.6338500000e+00  9.4372500000e-01 -2.1223560000e+00  2.2050210000e+00  2.0595700000e-01 -1.9085950000e+00  1.7919960000e+00  1.5796780000e+00 -1.4246560000e+00
-ENERGY -1.526556671190e+02
-FORCES  4.3767000000e-03  6.6320000000e-04 -9.1110000000e-03  1.6526000000e-03 -2.0459000000e-03  9.9121000000e-03  7.9640000000e-04  3.3858000000e-03 -2.8441000000e-03  4.0634000000e-03  2.3379000000e-03  2.1622000000e-03 -7.6355000000e-03  2.5407000000e-03  2.3635000000e-03 -3.2536000000e-03 -6.8817000000e-03 -2.4828000000e-03
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4622000000e-01 -7.5329500000e-01  5.3680000000e-01 -4.0451600000e-01  6.1134500000e-01  6.1551300000e-01  2.0027220000e+00  5.9064700000e-01 -1.7170340000e+00  1.3484400000e+00  5.8255800000e-01 -1.0184050000e+00  1.4905810000e+00  5.7871000000e-01 -2.5256130000e+00
-ENERGY -1.526603857319e+02
-FORCES  3.7735000000e-03 -1.4207000000e-03 -1.7400000000e-04 -1.9144000000e-03  4.8325000000e-03 -1.9238000000e-03  3.0146000000e-03 -3.3391000000e-03 -3.2233000000e-03 -1.3813600000e-02 -3.2714000000e-03  7.7277000000e-03  7.5462000000e-03  3.0233000000e-03 -4.3818000000e-03  1.3937000000e-03  1.7530000000e-04  1.9752000000e-03
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0008600000e-01  2.4426700000e-01  2.1543000000e-01 -4.1970000000e-03 -9.5652200000e-01  3.5782000000e-02 -1.7802760000e+00  1.7891840000e+00  1.0150920000e+00 -1.5268450000e+00  2.4441320000e+00  1.6655130000e+00 -1.1014860000e+00  1.1169040000e+00  1.0743860000e+00
-ENERGY -1.526576985189e+02
-FORCES  7.9030000000e-04 -4.9920000000e-04 -9.7120000000e-04 -5.7892000000e-03 -8.6010000000e-04  7.3510000000e-04  3.9250000000e-04  5.3294000000e-03  1.6080000000e-04  7.6075000000e-03 -7.6387000000e-03 -3.3730000000e-03  1.2548000000e-03 -3.2283000000e-03 -2.6806000000e-03 -4.2558000000e-03  6.8970000000e-03  6.1288000000e-03
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0081300000e-01 -6.5090300000e-01  3.7664000000e-02  3.3199300000e-01  7.3980000000e-01  5.0863400000e-01  1.2391130000e+00  1.9626910000e+00  1.1540060000e+00  4.7739400000e-01  2.5375760000e+00  1.0796820000e+00  1.9193370000e+00  2.3979630000e+00  6.4013300000e-01
-ENERGY -1.526551203628e+02
-FORCES  1.4751800000e-02  1.4038900000e-02  1.0928200000e-02 -1.2745000000e-03  1.5523000000e-03 -7.3550000000e-04 -9.5575000000e-03  7.0910000000e-04 -1.7260000000e-03 -3.4184000000e-03 -6.9461000000e-03 -9.8403000000e-03  3.2930000000e-03 -8.0076000000e-03 -2.0258000000e-03 -3.7943000000e-03 -1.3465000000e-03  3.3994000000e-03
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1763000000e-01 -4.5533100000e-01  4.4035600000e-01 -1.1187700000e-01  9.1836300000e-01  2.4561200000e-01 -3.8586800000e-01 -1.2784440000e+00 -2.3691600000e+00 -1.3137160000e+00 -1.0843830000e+00 -2.5020900000e+00 -1.7428200000e-01 -8.7415800000e-01 -1.5277230000e+00
-ENERGY -1.526584028332e+02
-FORCES -2.3129000000e-03  1.3851000000e-03 -3.3511000000e-03  3.1760000000e-03  2.4779000000e-03 -5.4771000000e-03 -6.6080000000e-04 -5.1635000000e-03  2.8610000000e-04  1.2238000000e-03  9.5678000000e-03  1.1572500000e-02  2.3233000000e-03 -5.2120000000e-04  1.4998000000e-03 -3.7495000000e-03 -7.7462000000e-03 -4.5302000000e-03
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2147800000e-01 -3.5139100000e-01  6.3759000000e-01 -4.3922300000e-01 -1.0157400000e-01 -8.4439200000e-01 -1.6153860000e+00 -1.0102540000e+00  1.8710940000e+00 -1.1896670000e+00 -1.8025940000e+00  2.1984960000e+00 -1.5614770000e+00 -3.9069700000e-01  2.5987440000e+00
-ENERGY -1.526605286154e+02
-FORCES -1.2636100000e-02 -6.9433000000e-03  1.0385200000e-02  7.6460000000e-03  4.5017000000e-03 -6.0934000000e-03  3.5570000000e-04 -4.9160000000e-04  3.0043000000e-03  5.6371000000e-03  1.5736000000e-03 -9.9570000000e-04 -1.9062000000e-03  5.1398000000e-03 -1.7013000000e-03  9.0360000000e-04 -3.7803000000e-03 -4.5991000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3513700000e-01 -7.1289600000e-01  5.9390300000e-01  5.7022000000e-01  7.2453700000e-01  2.5715300000e-01 -2.1048460000e+00  1.7479620000e+00  1.7381700000e-01 -1.3416620000e+00  1.1897380000e+00  2.4928000000e-02 -2.6147560000e+00  1.2850360000e+00  8.3858900000e-01
-ENERGY -1.526579711866e+02
-FORCES -1.6404000000e-03  8.4530000000e-04  4.2736000000e-03 -1.4390000000e-04  4.0202000000e-03 -2.7385000000e-03 -7.2222000000e-03 -2.9057000000e-03 -1.2553000000e-03  7.8782000000e-03 -1.3273100000e-02  5.1340000000e-04  1.3100000000e-05  9.7751000000e-03  5.7220000000e-04  1.1152000000e-03  1.5381000000e-03 -1.3654000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6009600000e-01  5.7567500000e-01 -7.1915300000e-01  8.4101600000e-01 -3.6415700000e-01 -2.7624800000e-01 -9.1434300000e-01  1.1504040000e+00 -2.1224550000e+00 -4.2195200000e-01  1.6082280000e+00 -2.8037630000e+00 -1.4465510000e+00  5.1282800000e-01 -2.5983580000e+00
-ENERGY -1.526575396083e+02
-FORCES -5.1802000000e-03  9.4588000000e-03 -1.8059900000e-02  2.3474000000e-03 -3.2968000000e-03  6.6321000000e-03 -2.3342000000e-03  1.4331000000e-03 -5.3370000000e-04  4.0526000000e-03 -8.0796000000e-03  8.2946000000e-03 -2.4430000000e-03 -3.8962000000e-03  2.9527000000e-03  3.5573000000e-03  4.3807000000e-03  7.1410000000e-04
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4131900000e-01 -5.8592100000e-01  1.5288800000e-01 -7.6980200000e-01 -5.2429600000e-01  2.2079700000e-01  1.0424140000e+00  1.2891070000e+00  2.2147000000e+00  5.4936900000e-01  1.0207400000e+00  1.4393820000e+00  3.8295100000e-01  1.6566420000e+00  2.8031370000e+00
-ENERGY -1.526605143832e+02
-FORCES  1.4047000000e-03 -4.7363000000e-03  2.9982000000e-03 -4.7806000000e-03  4.7058000000e-03  5.5940000000e-04  4.1680000000e-03  3.0156000000e-03 -2.5270000000e-04 -7.6782000000e-03 -3.0537000000e-03 -9.8596000000e-03  5.9481000000e-03  1.9996000000e-03  9.2217000000e-03  9.3800000000e-04 -1.9309000000e-03 -2.6669000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4160100000e-01 -7.4165800000e-01 -2.6989500000e-01 -6.2318000000e-02  5.4873400000e-01 -7.8181800000e-01 -1.0514440000e+00  1.1491090000e+00 -2.2034740000e+00 -4.5180300000e-01  1.6143680000e+00 -2.7867380000e+00 -1.6902200000e+00  7.4361600000e-01 -2.7897950000e+00
-ENERGY -1.526572180045e+02
-FORCES -5.0623000000e-03  3.9176000000e-03 -1.2641500000e-02 -1.9323000000e-03  2.4466000000e-03 -1.3760000000e-04  7.1103000000e-03 -4.2970000000e-04  5.5260000000e-03 -2.0928000000e-03 -5.1663000000e-03  1.6344000000e-03 -1.6078000000e-03 -4.1045000000e-03  4.5953000000e-03  3.5850000000e-03  3.3363000000e-03  1.0234000000e-03
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5805200000e-01  6.4905600000e-01  2.4884900000e-01  4.5310500000e-01 -2.0783400000e-01  8.1714900000e-01 -2.1871380000e+00  1.7567950000e+00  2.1505200000e-01 -2.8002860000e+00  1.0714480000e+00 -5.0616000000e-02 -2.4567530000e+00  2.5270840000e+00 -2.8514300000e-01
-ENERGY -1.526613978166e+02
-FORCES -5.7167000000e-03  7.8005000000e-03  2.9051000000e-03  5.2710000000e-03 -9.2635000000e-03  4.6900000000e-05 -2.3140000000e-03  1.4043000000e-03 -2.1746000000e-03 -8.6250000000e-04  4.1530000000e-04 -4.5058000000e-03  4.1859000000e-03  3.6456000000e-03  1.4421000000e-03 -5.6370000000e-04 -4.0022000000e-03  2.2863000000e-03
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6831200000e-01  3.9115500000e-01 -9.6253000000e-02 -5.9973100000e-01  6.5714700000e-01 -3.5314500000e-01  2.2206860000e+00  1.5496850000e+00  4.6714000000e-02  3.0089520000e+00  1.3120940000e+00 -4.4156800000e-01  2.5475570000e+00  1.9979790000e+00  8.2672700000e-01
-ENERGY -1.526599427838e+02
-FORCES  1.0896500000e-02  1.0985600000e-02 -4.2200000000e-04 -5.2390000000e-03 -6.4464000000e-03 -2.4802000000e-03  1.3061000000e-03 -1.7010000000e-03  1.0962000000e-03 -2.6848000000e-03 -2.0228000000e-03  3.6216000000e-03 -4.4741000000e-03  6.8210000000e-04  3.1338000000e-03  1.9530000000e-04 -1.4974000000e-03 -4.9495000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.8312000000e-02  6.3477600000e-01  7.0966600000e-01 -8.3119500000e-01 -4.7448800000e-01 -1.4428000000e-02 -1.1155100000e+00  2.6545750000e+00 -1.4532460000e+00 -1.1870520000e+00  1.8322880000e+00 -1.9379710000e+00 -2.3766500000e-01  2.9774570000e+00 -1.6566370000e+00
-ENERGY -1.526561789013e+02
-FORCES -4.6956000000e-03  3.1902000000e-03  3.7260000000e-03  1.4715000000e-03 -4.0109000000e-03 -1.8338000000e-03  3.2848000000e-03  1.8477000000e-03 -9.7520000000e-04  5.4471000000e-03 -4.9871000000e-03 -2.3679000000e-03 -1.8785000000e-03  4.1015000000e-03  5.8450000000e-04 -3.6295000000e-03 -1.4140000000e-04  8.6640000000e-04
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4931900000e-01  3.0820500000e-01  8.9383700000e-01 -7.6120100000e-01 -5.7624900000e-01  6.8859000000e-02 -1.9029050000e+00 -9.2616100000e-01  2.8415740000e+00 -1.9212820000e+00  2.7600000000e-04  2.6015530000e+00 -2.7503730000e+00 -1.2655090000e+00  2.5536990000e+00
-ENERGY -1.526552396923e+02
-FORCES -1.6985000000e-03 -3.5107000000e-03  5.3279000000e-03 -1.2198000000e-03  8.6080000000e-04 -3.7879000000e-03  2.1736000000e-03  3.5585000000e-03 -2.0270000000e-03 -5.2679000000e-03  2.1193000000e-03  1.4750000000e-04  1.7972000000e-03 -4.5821000000e-03 -2.7730000000e-04  4.2153000000e-03  1.5542000000e-03  6.1680000000e-04
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2386700000e-01 -2.2027000000e-02 -6.2591000000e-01 -6.1024900000e-01  6.4283900000e-01 -3.6136700000e-01 -2.0337590000e+00 -1.5630150000e+00  4.5098900000e-01 -1.1678320000e+00 -1.1681490000e+00  3.4859900000e-01 -1.9717350000e+00 -2.4000910000e+00 -9.1060000000e-03
-ENERGY -1.526586368170e+02
-FORCES -8.0359000000e-03 -4.4471000000e-03 -1.8243000000e-03 -4.4770000000e-03  7.7750000000e-04  2.2720000000e-03  4.0584000000e-03 -4.7898000000e-03  1.6019000000e-03  1.6243100000e-02  7.6500000000e-03 -3.2987000000e-03 -9.2639000000e-03 -2.1571000000e-03  6.3210000000e-04  1.4753000000e-03  2.9665000000e-03  6.1700000000e-04
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4146700000e-01 -6.0035500000e-01  7.7665000000e-02 -7.7178400000e-01 -5.6374800000e-01  5.2631000000e-02  9.9407600000e-01  2.4321340000e+00  1.3601230000e+00  1.6833000000e-01  2.9010070000e+00  1.4806750000e+00  7.6423300000e-01  1.6764240000e+00  8.1947000000e-01
-ENERGY -1.526605817534e+02
-FORCES -1.7412000000e-03 -4.2116000000e-03  1.5416000000e-03 -3.7609000000e-03  3.7361000000e-03  4.6100000000e-05  4.0127000000e-03  1.4107000000e-03 -7.5570000000e-04 -7.1479000000e-03 -5.9380000000e-03 -4.3890000000e-03  2.4758000000e-03 -8.7400000000e-04  1.0100000000e-04  6.1616000000e-03  5.8768000000e-03  3.4560000000e-03
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8268000000e-01 -6.7082400000e-01 -1.3223000000e-02 -1.9876300000e-01  1.5835300000e-01 -9.2284800000e-01 -7.0313900000e-01 -3.3886770000e+00  4.4140000000e-01  3.5535000000e-02 -3.9941110000e+00  5.0497300000e-01 -7.0557000000e-01 -2.9243290000e+00  1.2784230000e+00
-ENERGY -1.526553823485e+02
-FORCES  8.2540000000e-04 -3.9918000000e-03 -5.1661000000e-03 -1.4563000000e-03  3.8110000000e-03  1.2372000000e-03  1.2295000000e-03  3.0310000000e-04  3.5466000000e-03  8.5480000000e-04 -4.8340000000e-04  4.6670000000e-03 -2.5112000000e-03  3.4909000000e-03 -7.2190000000e-04  1.0577000000e-03 -3.1298000000e-03 -3.5628000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2530400000e-01 -6.5153900000e-01 -3.1737100000e-01 -2.3037000000e-01  5.0981500000e-01 -7.7669200000e-01 -1.2757970000e+00  1.5597940000e+00 -1.8613230000e+00 -2.0320810000e+00  1.8023970000e+00 -1.3270850000e+00 -1.6480200000e+00  1.3235070000e+00 -2.7109410000e+00
-ENERGY -1.526609853114e+02
-FORCES -3.7206000000e-03  5.9103000000e-03 -1.0139700000e-02 -2.4079000000e-03  2.3789000000e-03 -6.2200000000e-04  4.6074000000e-03 -5.3485000000e-03  7.7771000000e-03 -3.1213000000e-03 -3.0376000000e-03  2.6382000000e-03  3.5904000000e-03 -1.2396000000e-03 -3.8994000000e-03  1.0521000000e-03  1.3365000000e-03  4.2458000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4753700000e-01 -1.7066300000e-01  6.8396000000e-01 -5.0109600000e-01  4.0083900000e-01 -7.1025500000e-01  1.5301930000e+00  1.3294570000e+00  1.8319360000e+00  1.9685040000e+00  2.1562940000e+00  1.6307970000e+00  1.2406270000e+00  9.9832600000e-01  9.8179700000e-01
-ENERGY -1.526607215437e+02
-FORCES -3.4516000000e-03  2.0648000000e-03  4.3279000000e-03  2.9191000000e-03  1.0514000000e-03 -4.7954000000e-03  2.3343000000e-03 -1.3338000000e-03  3.9656000000e-03 -4.7369000000e-03 -4.4679000000e-03 -9.8833000000e-03 -2.3065000000e-03 -2.8604000000e-03 -1.1936000000e-03  5.2415000000e-03  5.5460000000e-03  7.5789000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5799400000e-01  4.2450600000e-01  4.0183500000e-01  6.3848500000e-01  7.0438500000e-01 -1.1139700000e-01 -1.2132720000e+00 -1.0334900000e+00 -2.3715510000e+00 -1.9726500000e+00 -1.5761040000e+00 -2.5840300000e+00 -1.1598540000e+00 -1.0590030000e+00 -1.4161840000e+00
-ENERGY -1.526576077149e+02
-FORCES  1.8667000000e-03  5.9295000000e-03 -2.8069000000e-03  2.3352000000e-03 -3.7250000000e-03 -3.1307000000e-03 -2.8262000000e-03 -2.3632000000e-03  2.4000000000e-03  2.6044000000e-03  1.1350000000e-04  6.3200000000e-03  2.8272000000e-03  2.5379000000e-03  2.5258000000e-03 -6.8074000000e-03 -2.4927000000e-03 -5.3083000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2302500000e-01 -6.2682700000e-01  2.3556000000e-02  7.8102100000e-01 -5.3910400000e-01 -1.2492400000e-01 -8.4302600000e-01  1.2310860000e+00 -2.1966680000e+00 -5.2150500000e-01  8.2821600000e-01 -1.3901000000e+00 -1.3203230000e+00  2.0072810000e+00 -1.9035110000e+00
-ENERGY -1.526596221773e+02
-FORCES -8.0670000000e-04 -4.3910000000e-04 -6.4038000000e-03  4.1912000000e-03  4.8668000000e-03 -2.2453000000e-03 -5.1369000000e-03  2.2155000000e-03  4.9530000000e-04  6.8642000000e-03 -5.5200000000e-03  1.6051900000e-02 -6.3465000000e-03  1.8372000000e-03 -8.4772000000e-03  1.2348000000e-03 -2.9603000000e-03  5.7910000000e-04
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7727300000e-01 -2.1866000000e-01  7.3155700000e-01  5.6972200000e-01  6.8919300000e-01  3.4155700000e-01 -9.7133200000e-01  9.8935200000e-01 -2.3487530000e+00 -5.6895300000e-01  5.7316000000e-01 -1.5864500000e+00 -1.7788720000e+00  1.3775000000e+00 -2.0119250000e+00
-ENERGY -1.526597715611e+02
-FORCES -2.9462000000e-03  3.0375000000e-03 -8.4660000000e-04  3.3660000000e-03  2.2692000000e-03 -3.0212000000e-03 -4.2099000000e-03 -3.4241000000e-03 -1.9595000000e-03  2.7104000000e-03 -5.7674000000e-03  1.4502500000e-02 -9.5380000000e-04  4.8496000000e-03 -8.1763000000e-03  2.0335000000e-03 -9.6480000000e-04 -4.9900000000e-04
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2326200000e-01 -4.1794700000e-01 -2.5257000000e-01 -7.5542000000e-02  7.5413500000e-01 -5.8464200000e-01  2.7347860000e+00  1.7154410000e+00 -8.1900300000e-01  3.0471930000e+00  8.9861800000e-01 -4.2985800000e-01  2.4425730000e+00  1.4670860000e+00 -1.6960230000e+00
-ENERGY -1.526528858162e+02
-FORCES  4.5707000000e-03  4.3536000000e-03 -2.8504000000e-03 -2.0072000000e-03  4.7370000000e-04  5.9090000000e-04 -1.2061000000e-03 -4.2576000000e-03  9.7760000000e-04  1.7624000000e-03 -3.6049000000e-03 -1.0497000000e-03 -2.5974000000e-03  2.6212000000e-03 -2.4286000000e-03 -5.2240000000e-04  4.1410000000e-04  4.7603000000e-03
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2902600000e-01  6.1950900000e-01  3.1007000000e-02  1.4494300000e-01 -5.7883000000e-01  7.4845100000e-01  8.3847000000e-01 -1.2100430000e+00  2.2632820000e+00  2.1270500000e-01 -1.6199210000e+00  2.8604840000e+00  1.2441570000e+00 -5.1462200000e-01  2.7810090000e+00
-ENERGY -1.526586462421e+02
-FORCES  7.7673000000e-03 -6.9466000000e-03  1.4003500000e-02 -1.8139000000e-03 -9.4710000000e-04  4.7890000000e-04 -4.5597000000e-03  3.2092000000e-03 -6.9377000000e-03 -2.2068000000e-03  5.2472000000e-03 -1.3565000000e-03  3.0904000000e-03  3.0274000000e-03 -3.4271000000e-03 -2.2774000000e-03 -3.5900000000e-03 -2.7611000000e-03
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5561000000e-01  7.2189000000e-02 -4.2302800000e-01 -5.3418500000e-01  6.7249400000e-01 -4.2264700000e-01 -2.8637340000e+00  1.5680320000e+00  1.8832780000e+00 -2.7267440000e+00  9.0297100000e-01  1.2086230000e+00 -3.5744310000e+00  2.1117780000e+00  1.5434510000e+00
-ENERGY -1.526540379428e+02
-FORCES  2.9968000000e-03  3.6734000000e-03 -3.1095000000e-03 -3.5701000000e-03 -3.4760000000e-04  1.5894000000e-03  6.3700000000e-04 -3.7791000000e-03  1.8115000000e-03 -2.4305000000e-03 -1.6955000000e-03 -3.0123000000e-03 -9.9040000000e-04  4.3167000000e-03  1.5991000000e-03  3.3571000000e-03 -2.1678000000e-03  1.1217000000e-03
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7311800000e-01 -3.8190800000e-01  5.6328500000e-01  6.5989400000e-01 -6.8805400000e-01 -8.5750000000e-02  1.4861380000e+00  1.3490340000e+00  1.7511110000e+00  1.0119730000e+00  9.0131300000e-01  1.0504370000e+00  1.9140200000e+00  6.4540100000e-01  2.2390140000e+00
-ENERGY -1.526565640033e+02
-FORCES  1.2832000000e-03 -1.6140000000e-04  6.3486000000e-03  5.2379000000e-03  1.6526000000e-03 -2.6533000000e-03 -1.9192000000e-03  6.5280000000e-03  4.4160000000e-03 -1.0452300000e-02 -9.2994000000e-03 -1.2076900000e-02  8.2864000000e-03  7.8380000000e-04  6.9595000000e-03 -2.4359000000e-03  4.9630000000e-04 -2.9938000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5885000000e-01  3.9685500000e-01  1.4530900000e-01  4.6315900000e-01  6.2692900000e-01 -5.5558600000e-01  1.0499280000e+00 -1.3431900000e+00  2.2566790000e+00  1.6977600000e-01 -1.7192300000e+00  2.2441260000e+00  1.0974160000e+00 -8.1681400000e-01  1.4586150000e+00
-ENERGY -1.526590600821e+02
-FORCES -2.3070000000e-03  2.5226000000e-03  1.6280000000e-03  3.9595000000e-03 -1.9363000000e-03 -1.5377000000e-03 -1.9120000000e-03 -3.0226000000e-03  3.7107000000e-03 -7.3444000000e-03  4.3584000000e-03 -1.0721400000e-02  1.8365000000e-03  3.8820000000e-04  1.9184000000e-03  5.7674000000e-03 -2.3103000000e-03  5.0020000000e-03
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8308400000e-01 -2.4475600000e-01 -6.2427700000e-01 -6.0779500000e-01  5.3752500000e-01 -5.0782200000e-01  6.3108200000e-01  1.4077320000e+00  2.2117890000e+00  5.2243900000e-01  8.7481000000e-01  1.4241190000e+00  1.4723890000e+00  1.8476610000e+00  2.0897400000e+00
-ENERGY -1.526599502249e+02
-FORCES  3.0030000000e-04  4.1694000000e-03  9.3580000000e-04 -3.4023000000e-03  2.6634000000e-03  3.3623000000e-03  4.3591000000e-03 -3.0125000000e-03  2.0612000000e-03 -1.8267000000e-03 -8.2955000000e-03 -1.3094800000e-02  2.9577000000e-03  6.5524000000e-03  8.0047000000e-03 -2.3880000000e-03 -2.0771000000e-03 -1.2692000000e-03
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9428700000e-01  5.1447700000e-01 -6.3814300000e-01 -6.1744800000e-01 -6.6677100000e-01  3.0067600000e-01 -1.5728860000e+00  1.3002480000e+00 -1.7855850000e+00 -8.1699100000e-01  1.5507610000e+00 -2.3167140000e+00 -1.8993180000e+00  4.9920800000e-01 -2.1954740000e+00
-ENERGY -1.526573320546e+02
-FORCES -1.3311800000e-02  8.1588000000e-03 -8.4310000000e-03  8.9166000000e-03 -5.5970000000e-03  1.0900000000e-03  1.2952000000e-03  1.5852000000e-03 -2.0191000000e-03  2.6977000000e-03 -3.7840000000e-03 -1.5766000000e-03 -2.9805000000e-03 -3.8165000000e-03  6.4178000000e-03  3.3827000000e-03  3.4535000000e-03  4.5189000000e-03
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0874800000e-01 -1.6477500000e-01  6.2189800000e-01  5.2530200000e-01 -7.9999300000e-01  1.7321000000e-02 -1.0940990000e+00  9.2572800000e-01 -2.3766220000e+00 -6.2110200000e-01  1.7422990000e+00 -2.5369890000e+00 -8.6085800000e-01  6.8541100000e-01 -1.4799180000e+00
-ENERGY -1.526605116694e+02
-FORCES  5.0280000000e-04 -3.9440000000e-03 -2.4229000000e-03  3.0513000000e-03  1.0000000000e-03 -4.9983000000e-03 -2.8379000000e-03  3.7316000000e-03  1.8547000000e-03  7.5529000000e-03 -2.2931000000e-03  1.0872300000e-02 -1.1424000000e-03 -2.4146000000e-03  6.5320000000e-04 -7.1267000000e-03  3.9201000000e-03 -5.9590000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4920600000e-01 -6.5010900000e-01  6.5687600000e-01  4.4380900000e-01  8.0203500000e-01  2.7569100000e-01  1.5098050000e+00 -7.0542400000e-01 -2.0749440000e+00  7.5075400000e-01 -3.8426600000e-01 -1.5881870000e+00  1.1390010000e+00 -1.1031320000e+00 -2.8627030000e+00
-ENERGY -1.526600858549e+02
-FORCES  8.3102000000e-03 -3.3829000000e-03 -1.0651000000e-03 -1.6633000000e-03  4.1236000000e-03 -2.2290000000e-03 -1.9047000000e-03 -4.6251000000e-03 -1.9702000000e-03 -9.8701000000e-03  3.5806000000e-03  1.0207300000e-02  5.9934000000e-03 -1.1319000000e-03 -8.9459000000e-03 -8.6550000000e-04  1.4357000000e-03  4.0029000000e-03
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5712600000e-01  2.1487800000e-01 -6.6200100000e-01 -3.7155200000e-01 -8.3241400000e-01 -2.9200600000e-01 -2.4800210000e+00 -1.4921840000e+00  1.2289680000e+00 -2.4906300000e+00 -1.1316510000e+00  2.1156100000e+00 -1.8367340000e+00 -2.2000570000e+00  1.2654200000e+00
-ENERGY -1.526544993701e+02
-FORCES -1.6155000000e-03 -2.4812000000e-03 -3.7922000000e-03 -3.1684000000e-03 -1.0658000000e-03  2.8495000000e-03  4.7580000000e-03  1.6611000000e-03  8.4700000000e-04  2.8396000000e-03  1.0848000000e-03  5.7497000000e-03 -1.0266000000e-03 -2.5927000000e-03 -3.1858000000e-03 -1.7871000000e-03  3.3937000000e-03 -2.4681000000e-03
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9786800000e-01  6.4816400000e-01 -9.5370000000e-02  3.0576900000e-01 -5.8115600000e-01  6.9641600000e-01 -2.2633500000e+00  1.9444790000e+00 -5.2847900000e-01 -2.1719370000e+00  2.8222150000e+00 -1.5773100000e-01 -1.6450860000e+00  1.4085510000e+00 -3.1727000000e-02
-ENERGY -1.526593211019e+02
-FORCES  5.9070000000e-03 -2.2275000000e-03  7.5630000000e-04 -4.5125000000e-03 -2.4149000000e-03  1.8144000000e-03 -1.0642000000e-03  3.2168000000e-03 -3.3733000000e-03  4.4817000000e-03 -3.2330000000e-03  3.5082000000e-03  7.9810000000e-04 -3.4291000000e-03 -1.1907000000e-03 -5.6100000000e-03  8.0878000000e-03 -1.5149000000e-03
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7148000000e-02 -5.8282400000e-01 -7.5429000000e-01 -7.7993400000e-01  5.5391700000e-01 -3.3343000000e-02 -2.7536220000e+00 -1.7473770000e+00  1.1799390000e+00 -2.5574430000e+00 -9.4741600000e-01  1.6675950000e+00 -3.4946530000e+00 -2.1361160000e+00  1.6446840000e+00
-ENERGY -1.526550329786e+02
-FORCES -4.2016000000e-03 -2.0846000000e-03 -4.1575000000e-03  1.5189000000e-03  3.3183000000e-03  2.3343000000e-03  3.0275000000e-03 -1.6247000000e-03  1.5101000000e-03 -1.1977000000e-03  1.2452000000e-03  4.9461000000e-03 -2.4325000000e-03 -2.5213000000e-03 -2.6687000000e-03  3.2854000000e-03  1.6670000000e-03 -1.9643000000e-03
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8781100000e-01 -4.8220000000e-01 -8.0525900000e-01  7.5497700000e-01  5.4652000000e-01 -2.1807800000e-01  1.2281800000e+00 -1.5425130000e+00  1.8654070000e+00  7.9046500000e-01 -9.9189800000e-01  1.2162070000e+00  5.4826400000e-01 -1.7411260000e+00  2.5092230000e+00
-ENERGY -1.526605756182e+02
-FORCES  3.1465000000e-03 -2.6541000000e-03 -9.9300000000e-04  1.6673000000e-03  2.8710000000e-03  4.3606000000e-03 -3.6034000000e-03 -5.2535000000e-03  2.1977000000e-03 -1.0360600000e-02  8.6989000000e-03 -9.2085000000e-03  7.8166000000e-03 -4.2878000000e-03  5.9495000000e-03  1.3336000000e-03  6.2550000000e-04 -2.3064000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2238100000e-01  5.2407500000e-01 -7.3324500000e-01 -7.8473100000e-01 -4.0627800000e-01  3.6792400000e-01  8.2159000000e-02 -2.5083500000e+00  2.5558080000e+00  8.0092000000e-01 -1.8787220000e+00  2.4993870000e+00  6.6798000000e-02 -2.9325380000e+00  1.6978690000e+00
-ENERGY -1.526571746271e+02
-FORCES -5.0656000000e-03  1.5775000000e-03 -1.4574000000e-03  1.0307000000e-03 -2.3414000000e-03  3.0842000000e-03  3.9283000000e-03  1.6200000000e-03 -2.9238000000e-03  4.8866000000e-03  6.9420000000e-04 -3.5772000000e-03 -3.5090000000e-03 -3.3102000000e-03  1.2515000000e-03 -1.2711000000e-03  1.7599000000e-03  3.6227000000e-03
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3178000000e-01 -3.7775100000e-01 -4.8788700000e-01  4.1363800000e-01  5.4795800000e-01  6.6699100000e-01  1.0845880000e+00  1.4434720000e+00  2.1602220000e+00  1.8214900000e-01  1.7585010000e+00  2.1093030000e+00  1.1868770000e+00  1.1538360000e+00  3.0667970000e+00
-ENERGY -1.526586009151e+02
-FORCES  9.2465000000e-03  3.2711000000e-03  7.0005000000e-03 -2.1401000000e-03  8.0830000000e-04  1.5165000000e-03 -8.9122000000e-03  1.5466000000e-03 -4.6297000000e-03 -2.9471000000e-03 -2.6542000000e-03  3.7588000000e-03  5.5710000000e-03 -5.6731000000e-03 -3.7603000000e-03 -8.1800000000e-04  2.7013000000e-03 -3.8859000000e-03
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8365100000e-01 -6.9505000000e-02  8.2309300000e-01 -5.8096500000e-01  4.9369000000e-01 -5.7877500000e-01  1.6178290000e+00  1.6198100000e+00  1.7915380000e+00  2.1097160000e+00  2.3338540000e+00  1.3860500000e+00  1.1681440000e+00  1.1935530000e+00  1.0619360000e+00
-ENERGY -1.526606350825e+02
-FORCES -6.1616000000e-03 -7.3890000000e-04  4.5630000000e-04  4.7023000000e-03  2.7126000000e-03 -4.6372000000e-03  3.4161000000e-03 -1.8083000000e-03  3.4287000000e-03 -1.9818000000e-03 -3.5220000000e-03 -8.7817000000e-03 -2.1584000000e-03 -2.3822000000e-03  5.1840000000e-04  2.1835000000e-03  5.7390000000e-03  9.0156000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8943400000e-01 -3.7934900000e-01 -5.4498400000e-01  4.4948300000e-01  2.7387600000e-01  7.9949300000e-01 -1.6084480000e+00  1.3677360000e+00 -1.7752590000e+00 -2.1139490000e+00  2.0103440000e+00 -1.2775090000e+00 -1.2369990000e+00  7.8764200000e-01 -1.1106170000e+00
-ENERGY -1.526601782125e+02
-FORCES  1.6820000000e-03  4.0344000000e-03 -2.2646000000e-03 -3.3138000000e-03  1.9587000000e-03  3.4634000000e-03 -8.9300000000e-04 -2.0222000000e-03 -3.8365000000e-03  5.8821000000e-03 -4.4913000000e-03  1.0820700000e-02  1.8070000000e-03 -1.8231000000e-03 -7.9600000000e-04 -5.1642000000e-03  2.3435000000e-03 -7.3869000000e-03
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4854400000e-01  6.7994000000e-01  5.0271500000e-01 -4.4293500000e-01  4.7448100000e-01 -7.0349700000e-01 -1.1604390000e+00  1.2845270000e+00 -2.1778950000e+00 -1.1168250000e+00  8.7570900000e-01 -3.0423000000e+00 -2.0497500000e+00  1.6342080000e+00 -2.1223960000e+00
-ENERGY -1.526617011203e+02
-FORCES -3.9103000000e-03  7.6764000000e-03 -9.1705000000e-03 -1.8209000000e-03 -1.4024000000e-03 -1.7622000000e-03  3.6901000000e-03 -4.3648000000e-03  8.6180000000e-03 -9.2690000000e-04 -2.8164000000e-03 -7.1780000000e-04 -1.5736000000e-03  2.8433000000e-03  3.9084000000e-03  4.5415000000e-03 -1.9361000000e-03 -8.7590000000e-04
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5901700000e-01  8.1936800000e-01 -1.8485600000e-01 -3.5447300000e-01 -2.7270900000e-01 -8.4629200000e-01 -1.3141720000e+00 -1.5797540000e+00 -1.8516850000e+00 -1.7959900000e+00 -1.2163940000e+00 -2.5946880000e+00 -6.3555400000e-01 -2.1252540000e+00 -2.2493520000e+00
-ENERGY -1.526592811148e+02
-FORCES -5.4806000000e-03 -4.7282000000e-03 -7.7096000000e-03 -2.3789000000e-03 -3.4009000000e-03 -1.3576000000e-03  7.0848000000e-03  7.1881000000e-03  5.0097000000e-03  2.5530000000e-04 -2.6927000000e-03 -1.7853000000e-03  3.8334000000e-03 -8.4060000000e-04  4.0973000000e-03 -3.3140000000e-03  4.4744000000e-03  1.7455000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5051700000e-01 -3.2663100000e-01  4.9625400000e-01 -3.6627800000e-01  2.6128900000e-01 -8.4486700000e-01 -9.6522100000e-01  1.0231910000e+00 -2.4802290000e+00 -1.2127910000e+00  2.7429800000e-01 -3.0225390000e+00 -1.7207950000e+00  1.6094140000e+00 -2.5212470000e+00
-ENERGY -1.526606729894e+02
-FORCES -5.6952000000e-03  4.2378000000e-03 -8.5706000000e-03  1.7194000000e-03  1.2160000000e-03 -2.2861000000e-03  3.0882000000e-03 -6.4598000000e-03  8.3905000000e-03 -3.1774000000e-03  1.2391000000e-03 -1.6366000000e-03  7.9310000000e-04  3.5814000000e-03  4.5601000000e-03  3.2718000000e-03 -3.8145000000e-03 -4.5740000000e-04
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8613100000e-01 -6.3144600000e-01 -2.1617700000e-01 -2.2028600000e-01  4.1066900000e-01 -8.3609600000e-01 -3.7041100000e+00 -2.3746700000e-01 -6.1139700000e-01 -4.1671790000e+00  8.1443000000e-02 -1.3860550000e+00 -3.2537830000e+00  5.3361300000e-01 -2.6661600000e-01
-ENERGY -1.526541835396e+02
-FORCES  1.8113000000e-03 -2.5971000000e-03 -4.6042000000e-03 -2.3858000000e-03  2.8825000000e-03  8.3470000000e-04  6.3870000000e-04 -5.5720000000e-04  3.7938000000e-03  7.5100000000e-05  4.2350000000e-03 -2.1140000000e-04  2.4574000000e-03 -1.3754000000e-03  2.9432000000e-03 -2.5968000000e-03 -2.5879000000e-03 -2.7561000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8336200000e-01 -4.2208600000e-01 -5.2066400000e-01  6.2388700000e-01  3.3108900000e-01 -6.4604700000e-01  2.4810090000e+00  2.2901620000e+00  1.2184770000e+00  2.9672320000e+00  1.7311730000e+00  6.1238300000e-01  2.0703760000e+00  1.6798430000e+00  1.8309510000e+00
-ENERGY -1.526553789948e+02
-FORCES -1.3398000000e-03  3.6250000000e-04 -5.3085000000e-03  2.9601000000e-03  1.8701000000e-03  2.0159000000e-03 -1.7290000000e-03 -2.6392000000e-03  2.7861000000e-03 -6.2370000000e-04 -5.2565000000e-03  1.4082000000e-03 -2.4407000000e-03  2.3364000000e-03  1.2743000000e-03  3.1731000000e-03  3.3268000000e-03 -2.1760000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2248100000e-01 -6.9653600000e-01 -3.9759600000e-01  4.4096700000e-01 -4.2190600000e-01  7.3741100000e-01  1.4886740000e+00  7.2084900000e-01 -2.1589070000e+00  2.3957100000e+00  9.7395700000e-01 -1.9872850000e+00  1.1570220000e+00  4.2657000000e-01 -1.3105920000e+00
-ENERGY -1.526598900532e+02
-FORCES -6.7040000000e-04 -2.7029000000e-03 -2.2810000000e-03  4.1873000000e-03  3.6649000000e-03  2.4577000000e-03 -1.1122000000e-03  2.2439000000e-03 -5.2091000000e-03 -6.3607000000e-03 -2.0555000000e-03  1.2442600000e-02 -3.1730000000e-03 -1.4255000000e-03  1.4864000000e-03  7.1289000000e-03  2.7500000000e-04 -8.8966000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6244000000e-01  7.5927500000e-01  3.5480100000e-01 -3.4876300000e-01  3.0181000000e-01 -8.3875300000e-01  2.3110500000e+00 -1.5722930000e+00 -3.5556300000e-01  1.4181470000e+00 -1.2282720000e+00 -3.3095200000e-01  2.5109110000e+00 -1.6545860000e+00 -1.2880410000e+00
-ENERGY -1.526605294635e+02
-FORCES  2.5082000000e-03  4.8647000000e-03 -4.4160000000e-04 -2.9551000000e-03 -3.8583000000e-03 -2.7271000000e-03  3.2625000000e-03 -2.1608000000e-03  3.6940000000e-03 -1.0521600000e-02  5.1744000000e-03 -6.6800000000e-04  9.4171000000e-03 -5.2312000000e-03 -2.5424000000e-03 -1.7109000000e-03  1.2112000000e-03  2.6851000000e-03
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5445300000e-01  2.2200100000e-01 -8.6099400000e-01  6.3999400000e-01 -6.9004200000e-01 -1.7459100000e-01 -2.5452200000e+00 -2.3657640000e+00 -1.3702540000e+00 -1.9354960000e+00 -2.1367780000e+00 -2.0717060000e+00 -1.9896870000e+00 -2.7179320000e+00 -6.7484600000e-01
-ENERGY -1.526534874191e+02
-FORCES  6.9520000000e-04 -5.3850000000e-04 -4.0710000000e-03  2.3460000000e-03 -1.4732000000e-03  3.1867000000e-03 -3.4580000000e-03  2.0857000000e-03  5.2900000000e-04  4.6278000000e-03 -4.2810000000e-04  1.3650000000e-03 -2.0110000000e-03 -1.5250000000e-04  2.7679000000e-03 -2.2000000000e-03  5.0660000000e-04 -3.7776000000e-03
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8836000000e-01  4.4829700000e-01 -7.5129100000e-01 -7.4914100000e-01 -2.7981600000e-01  5.2604400000e-01 -2.2368940000e+00 -1.9645930000e+00 -1.3501530000e+00 -2.0216660000e+00 -2.4730010000e+00 -5.6821300000e-01 -3.0231050000e+00 -1.4747340000e+00 -1.1090250000e+00
-ENERGY -1.526536746026e+02
-FORCES -6.5369000000e-03 -1.3928000000e-03 -4.2482000000e-03  2.2777000000e-03  5.3660000000e-04  3.8411000000e-03  2.6085000000e-03  6.8230000000e-04 -8.7000000000e-05 -1.2706000000e-03 -2.1062000000e-03  3.5705000000e-03 -1.7238000000e-03  3.0941000000e-03 -2.6803000000e-03  4.6451000000e-03 -8.1400000000e-04 -3.9620000000e-04
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9386500000e-01 -7.7971000000e-01 -2.5373300000e-01  6.6837900000e-01  6.6722600000e-01  1.5591900000e-01  1.6081870000e+00 -2.1704030000e+00 -8.1264500000e-01  2.1154270000e+00 -2.5924810000e+00 -1.1925600000e-01  1.1378490000e+00 -2.8881330000e+00 -1.2367650000e+00
-ENERGY -1.526615009131e+02
-FORCES  9.4589000000e-03 -7.7226000000e-03 -4.0474000000e-03 -6.8305000000e-03  7.1135000000e-03  3.4358000000e-03 -1.5994000000e-03 -2.1098000000e-03  6.6800000000e-05 -7.6440000000e-04 -2.7995000000e-03  1.2292000000e-03 -2.8335000000e-03  2.0100000000e-03 -3.7580000000e-03  2.5689000000e-03  3.5083000000e-03  3.0737000000e-03
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9086000000e-02 -6.1779800000e-01  7.3008900000e-01  7.0828400000e-01  6.2036100000e-01  1.7238700000e-01  2.0409260000e+00  1.7463820000e+00  5.7464900000e-01  1.6795250000e+00  2.0321140000e+00  1.4136830000e+00  1.6977330000e+00  2.3745220000e+00 -6.0875000000e-02
-ENERGY -1.526584998928e+02
-FORCES  1.3952500000e-02  6.3526000000e-03  4.7748000000e-03  5.6000000000e-06  2.6442000000e-03 -1.3238000000e-03 -1.0468900000e-02 -1.3701000000e-03 -2.3719000000e-03 -3.2808000000e-03  2.7278000000e-03  5.0070000000e-04  2.5900000000e-04 -3.7494000000e-03 -5.5277000000e-03 -4.6730000000e-04 -6.6052000000e-03  3.9481000000e-03
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0192600000e-01 -3.7109600000e-01 -5.3462100000e-01 -5.3974900000e-01 -7.5218800000e-01  2.4313600000e-01  3.6804300000e-01 -3.4947410000e+00 -5.0010600000e-01 -3.8452300000e-01 -3.7760620000e+00  2.0215000000e-02 -1.4022000000e-02 -3.1445560000e+00 -1.3048600000e+00
-ENERGY -1.526554387714e+02
-FORCES  2.5276000000e-03 -6.4181000000e-03  1.4000000000e-05 -3.3090000000e-03  2.9644000000e-03  6.4990000000e-04 -7.8300000000e-05  3.7493000000e-03 -1.3039000000e-03 -4.3755000000e-03 -2.7767000000e-03 -1.6627000000e-03  3.2076000000e-03  2.4621000000e-03 -2.2684000000e-03  2.0276000000e-03  1.9000000000e-05  4.5711000000e-03
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1426300000e-01 -5.1410200000e-01  3.7651000000e-01  4.2904100000e-01  7.7074500000e-01 -3.7162800000e-01  3.1806100000e-01  2.4546280000e+00  2.2431840000e+00  1.1640690000e+00  2.0299030000e+00  2.3849920000e+00 -3.2686300000e-01  1.8016270000e+00  2.5150200000e+00
-ENERGY -1.526553257559e+02
-FORCES  4.5952000000e-03  3.0437000000e-03 -7.9180000000e-04 -2.9409000000e-03  2.5095000000e-03 -4.1680000000e-04 -1.0994000000e-03 -4.7823000000e-03  5.7860000000e-04 -9.6280000000e-04 -6.2461000000e-03  1.1849000000e-03 -2.6768000000e-03  1.6499000000e-03 -1.3376000000e-03  3.0847000000e-03  3.8251000000e-03  7.8270000000e-04
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0728800000e-01  3.6406700000e-01  6.4411800000e-01  3.8573400000e-01 -7.5961000000e-01  4.3638700000e-01 -8.7315900000e-01 -1.1979710000e+00 -2.3968000000e+00 -6.8910900000e-01 -6.2853400000e-01 -1.6497390000e+00 -8.2629100000e-01 -6.1870100000e-01 -3.1573790000e+00
-ENERGY -1.526619874799e+02
-FORCES -2.6250000000e-04 -3.3526000000e-03  3.0383000000e-03  3.0388000000e-03 -2.2824000000e-03 -3.1715000000e-03 -2.6567000000e-03  4.4549000000e-03 -1.5111000000e-03  3.6768000000e-03  7.1477000000e-03  7.6876000000e-03 -3.7149000000e-03 -5.0220000000e-03 -9.1321000000e-03 -8.1600000000e-05 -9.4560000000e-04  3.0889000000e-03
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0149600000e-01  6.4897800000e-01  5.4429000000e-02 -2.7204700000e-01 -5.8900200000e-01 -7.0377500000e-01 -1.6553970000e+00 -1.6220460000e+00 -1.8553620000e+00 -2.0427220000e+00 -8.4796900000e-01 -2.2640370000e+00 -8.6179500000e-01 -1.7899930000e+00 -2.3635170000e+00
-ENERGY -1.526563623321e+02
-FORCES -9.4968000000e-03 -4.5815000000e-03 -4.3686000000e-03  2.6088000000e-03 -1.1222000000e-03 -4.9660000000e-04  7.5245000000e-03  4.2477000000e-03  1.3200000000e-04 -1.2720000000e-03  9.3260000000e-04 -5.1374000000e-03  3.2389000000e-03 -3.0485000000e-03  3.6257000000e-03 -2.6034000000e-03  3.5719000000e-03  6.2450000000e-03
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5203500000e-01  6.9854200000e-01  5.5863000000e-02 -5.4381100000e-01  1.1645300000e-01  7.7906400000e-01 -1.2853780000e+00 -1.7647220000e+00 -1.6677850000e+00 -9.6329500000e-01 -9.6013200000e-01 -1.2614230000e+00 -1.6711140000e+00 -1.4777770000e+00 -2.4954930000e+00
-ENERGY -1.526601973905e+02
-FORCES  2.2740000000e-04 -2.6280000000e-04  5.2880000000e-04 -3.4641000000e-03 -2.9670000000e-03  1.1604000000e-03  2.8510000000e-03  2.5020000000e-04 -4.5775000000e-03  5.4430000000e-03  8.1285000000e-03  4.3022000000e-03 -7.0098000000e-03 -5.5560000000e-03 -4.4622000000e-03  1.9524000000e-03  4.0710000000e-04  3.0482000000e-03
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3652900000e-01 -6.3187600000e-01 -3.3435900000e-01  5.2512800000e-01  6.3435800000e-01  4.8791600000e-01 -1.7124270000e+00 -8.8424700000e-01  2.3086130000e+00 -1.0995320000e+00 -1.4056500000e+00  2.8270060000e+00 -1.2464490000e+00 -7.0869400000e-01  1.4911310000e+00
-ENERGY -1.526608259561e+02
-FORCES  5.7549000000e-03  1.7843000000e-03 -1.3191000000e-03 -2.9879000000e-03  3.0568000000e-03  2.6729000000e-03 -2.5477000000e-03 -4.3805000000e-03 -2.0301000000e-03  6.2167000000e-03  2.9440000000e-04 -6.4753000000e-03 -1.4728000000e-03  1.9054000000e-03 -1.8070000000e-03 -4.9632000000e-03 -2.6603000000e-03  8.9586000000e-03
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6660100000e-01  2.2044700000e-01 -6.5059900000e-01  4.6339500000e-01 -5.3050500000e-01  6.4812100000e-01 -1.9081250000e+00  1.9798730000e+00  8.1416800000e-01 -1.3579200000e+00  1.2333440000e+00  5.7710300000e-01 -1.3039690000e+00  2.6063120000e+00  1.2126670000e+00
-ENERGY -1.526611748375e+02
-FORCES  2.9781000000e-03  3.0740000000e-04 -6.2160000000e-04 -2.2103000000e-03 -1.7545000000e-03  3.9859000000e-03 -1.5527000000e-03  3.2056000000e-03 -3.4684000000e-03  9.3212000000e-03 -6.2167000000e-03 -2.2075000000e-03 -6.9157000000e-03  6.0444000000e-03  3.3872000000e-03 -1.6206000000e-03 -1.5861000000e-03 -1.0757000000e-03
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8241200000e-01  2.6154800000e-01  8.3760700000e-01 -5.9618600000e-01 -7.1540800000e-01  2.2132800000e-01  1.4391620000e+00  1.4673380000e+00  1.9171910000e+00  8.8599200000e-01  2.1774080000e+00  2.2428200000e+00  1.8232500000e+00  1.0819080000e+00  2.7046880000e+00
-ENERGY -1.526600945844e+02
-FORCES  4.9197000000e-03  3.7462000000e-03  7.6532000000e-03 -7.0640000000e-03 -6.6287000000e-03 -5.7910000000e-03  2.6431000000e-03  2.9048000000e-03  9.5750000000e-04 -3.7000000000e-05  3.2111000000e-03  2.2607000000e-03  2.7716000000e-03 -4.5715000000e-03 -9.2020000000e-04 -3.2334000000e-03  1.3381000000e-03 -4.1602000000e-03
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0976800000e-01  1.9283900000e-01 -2.2664100000e-01 -2.2967800000e-01 -7.5093700000e-01 -5.4733400000e-01 -8.7681300000e-01 -2.3748090000e+00 -1.0845890000e+00 -1.3735360000e+00 -2.4724450000e+00 -2.7220700000e-01 -1.4799350000e+00 -1.9341540000e+00 -1.6831700000e+00
-ENERGY -1.526595623044e+02
-FORCES  2.9000000000e-06 -1.2405200000e-02 -6.5284000000e-03 -2.9595000000e-03 -1.3728000000e-03 -9.8200000000e-05 -1.8088000000e-03  1.0114800000e-02  3.2917000000e-03 -4.2424000000e-03  6.4130000000e-04  3.5586000000e-03  3.3385000000e-03  2.3422000000e-03 -5.2173000000e-03  5.6693000000e-03  6.7970000000e-04  4.9936000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9770300000e-01  6.1241100000e-01 -4.2887700000e-01  5.6508700000e-01 -7.0448200000e-01  3.1719600000e-01  1.5216210000e+00  2.0543010000e+00 -1.0284420000e+00  2.0825180000e+00  2.4974980000e+00 -3.9188700000e-01  1.0254710000e+00  2.7599020000e+00 -1.4434050000e+00
-ENERGY -1.526611321441e+02
-FORCES  8.7151000000e-03  8.2960000000e-03 -5.1866000000e-03 -5.4001000000e-03 -8.3145000000e-03  3.8288000000e-03 -5.2200000000e-04  3.1482000000e-03 -8.8140000000e-04 -3.3715000000e-03  1.3325000000e-03  3.1923000000e-03 -2.7484000000e-03 -1.7129000000e-03 -3.5751000000e-03  3.3270000000e-03 -2.7494000000e-03  2.6220000000e-03
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0229300000e-01  3.5349300000e-01  7.9337000000e-01  6.6304700000e-01  6.4674500000e-01 -2.4149700000e-01 -4.3787500000e-01  3.6050900000e+00  5.2067700000e-01  3.4475000000e-02  3.9158540000e+00 -2.5168500000e-01 -1.0100680000e+00  4.3337270000e+00  7.6133400000e-01
-ENERGY -1.526562686849e+02
-FORCES  2.3110000000e-04  6.3184000000e-03  2.9713000000e-03  1.5156000000e-03 -3.6317000000e-03 -2.6263000000e-03 -1.4373000000e-03 -3.3138000000e-03 -2.6770000000e-04 -1.3136000000e-03  5.3129000000e-03 -2.3985000000e-03 -1.5008000000e-03 -1.7433000000e-03  3.4137000000e-03  2.5051000000e-03 -2.9423000000e-03 -1.0924000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3697600000e-01  6.5106800000e-01 -4.5166300000e-01 -4.3826200000e-01 -4.7920900000e-01 -7.0321900000e-01 -9.8471300000e-01  3.1451400000e+00  1.2722550000e+00 -1.3773100000e+00  2.7349230000e+00  5.0165700000e-01 -1.6592860000e+00  3.7419240000e+00  1.5963420000e+00
-ENERGY -1.526544104804e+02
-FORCES  2.4127000000e-03 -1.9520000000e-04 -3.9246000000e-03 -3.4059000000e-03 -2.8855000000e-03  1.2228000000e-03  1.2903000000e-03  2.6794000000e-03  3.1574000000e-03 -4.6802000000e-03 -8.4380000000e-04 -1.2446000000e-03  1.7214000000e-03  3.7972000000e-03  2.1290000000e-03  2.6618000000e-03 -2.5521000000e-03 -1.3400000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8875400000e-01 -9.4849000000e-02  5.3395000000e-01 -3.1879200000e-01  3.1812600000e-01 -8.4463000000e-01 -1.5351510000e+00  1.4837230000e+00 -2.1471720000e+00 -8.9789100000e-01  2.1380390000e+00 -2.4335290000e+00 -1.9516960000e+00  1.8744980000e+00 -1.3790460000e+00
-ENERGY -1.526594425254e+02
-FORCES -6.9172000000e-03  1.5772000000e-03 -6.2028000000e-03  2.4097000000e-03  1.3534000000e-03 -1.4167000000e-03  5.1209000000e-03 -2.0034000000e-03  7.6986000000e-03 -8.9590000000e-04  6.8626000000e-03  5.8910000000e-04 -2.7452000000e-03 -4.1398000000e-03  2.2079000000e-03  3.0277000000e-03 -3.6499000000e-03 -2.8761000000e-03
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0116000000e-01 -6.2467900000e-01  5.2425800000e-01  5.6826900000e-01  7.6733400000e-01 -6.7090000000e-02  2.4539700000e-01  2.4992300000e+00 -3.1460530000e+00  6.0054300000e-01  3.1969720000e+00 -2.5953630000e+00 -2.4681400000e-01  2.9579050000e+00 -3.8269180000e+00
-ENERGY -1.526534258297e+02
-FORCES  4.5126000000e-03  8.6590000000e-04  6.0810000000e-04 -2.1266000000e-03  2.5025000000e-03 -2.1053000000e-03 -2.0405000000e-03 -2.8561000000e-03  1.6189000000e-03 -1.4923000000e-03  4.6824000000e-03 -1.3084000000e-03 -1.1257000000e-03 -3.4300000000e-03 -1.5438000000e-03  2.2725000000e-03 -1.7649000000e-03  2.7305000000e-03
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0176400000e-01 -3.9538500000e-01  6.3070000000e-01  6.1144100000e-01 -7.0245400000e-01 -2.2120200000e-01  9.8230900000e-01  2.1914800000e+00  1.5909140000e+00  1.8055220000e+00  2.5209690000e+00  1.2303740000e+00  7.6185400000e-01  1.4411450000e+00  1.0389830000e+00
-ENERGY -1.526613819197e+02
-FORCES -1.2636000000e-03 -4.6535000000e-03  1.1998000000e-03  4.3168000000e-03  2.2944000000e-03 -3.0618000000e-03 -2.8677000000e-03  3.8837000000e-03  1.6557000000e-03 -1.4963000000e-03 -6.8761000000e-03 -8.2889000000e-03 -2.3143000000e-03 -1.8191000000e-03  6.8080000000e-04  3.6252000000e-03  7.1706000000e-03  7.8144000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4249500000e-01  1.3259000000e-01 -4.3457300000e-01 -5.2923200000e-01 -4.7345600000e-01 -6.4186000000e-01 -1.8851080000e+00 -1.4420420000e+00 -1.6473560000e+00 -2.3771810000e+00 -2.2614860000e+00 -1.6984180000e+00 -1.1861690000e+00 -1.5411390000e+00 -2.2938040000e+00
-ENERGY -1.526571911028e+02
-FORCES -5.0116000000e-03 -3.8785000000e-03 -4.3517000000e-03 -3.8001000000e-03 -1.6034000000e-03  4.9200000000e-05  8.9832000000e-03  4.0786000000e-03 -4.9320000000e-04 -1.3397000000e-03 -5.0037000000e-03 -4.4390000000e-04  2.2954000000e-03  3.8646000000e-03 -1.5582000000e-03 -1.1271000000e-03  2.5424000000e-03  6.7978000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0851700000e-01  2.6752600000e-01 -5.8537600000e-01  4.4363000000e-01 -4.1513200000e-01  7.3965500000e-01  4.5486700000e-01 -3.7347350000e+00  1.5113300000e-01 -1.7520200000e-01 -3.6271260000e+00  8.6363900000e-01  1.1420640000e+00 -4.2895130000e+00  5.2020400000e-01
-ENERGY -1.526542659274e+02
-FORCES  5.3916000000e-03 -2.4564000000e-03 -4.8140000000e-04 -2.7779000000e-03 -1.4250000000e-04  2.4709000000e-03 -2.3016000000e-03  2.6601000000e-03 -1.7382000000e-03 -1.0890000000e-03 -2.7080000000e-03  3.7873000000e-03  3.4514000000e-03 -2.7660000000e-04 -2.4739000000e-03 -2.6746000000e-03  2.9236000000e-03 -1.5647000000e-03
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0405900000e-01  4.6373700000e-01  2.3381500000e-01  1.6323000000e-01 -5.8526000000e-01  7.3963400000e-01 -1.0034350000e+00 -1.4002960000e+00 -1.9725520000e+00 -2.1152200000e-01 -1.6150340000e+00 -2.4654960000e+00 -6.9262500000e-01 -8.7191100000e-01 -1.2374070000e+00
-ENERGY -1.526577831791e+02
-FORCES -4.2398000000e-03 -5.7611000000e-03 -3.6204000000e-03  3.8854000000e-03 -5.7992000000e-03 -3.5049000000e-03 -1.7667000000e-03  3.1504000000e-03 -4.7514000000e-03  1.1782000000e-02  1.1475300000e-02  1.4431200000e-02 -1.5606000000e-03  2.8320000000e-04  1.8743000000e-03 -8.1003000000e-03 -3.3486000000e-03 -4.4289000000e-03
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6475300000e-01  7.4174000000e-01 -2.1704400000e-01  5.8173300000e-01 -6.2677600000e-01  4.3008200000e-01 -2.1623100000e+00  3.4584200000e-01  1.5584170000e+00 -1.9281900000e+00 -1.1248800000e-01  2.3654810000e+00 -1.3608370000e+00  3.3512200000e-01  1.0351990000e+00
-ENERGY -1.526589156781e+02
-FORCES -1.2927000000e-03  3.4250000000e-04  3.6451000000e-03 -2.9448000000e-03 -4.4291000000e-03  2.1248000000e-03 -3.3638000000e-03  4.3708000000e-03 -1.2136000000e-03  1.3940400000e-02 -2.8271000000e-03 -8.7334000000e-03  7.4060000000e-04  7.1210000000e-04 -2.9035000000e-03 -7.0798000000e-03  1.8308000000e-03  7.0806000000e-03
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2118000000e-01  5.8246000000e-01  5.5257900000e-01  6.2094200000e-01 -6.6238100000e-01 -3.0317400000e-01  8.6862900000e-01  2.3426600000e+00  1.1359250000e+00  1.6832210000e+00  2.7912100000e+00  9.0904400000e-01  1.7781200000e-01  2.9380630000e+00  8.4524000000e-01
-ENERGY -1.526603231186e+02
-FORCES  5.6221000000e-03  8.6590000000e-03  5.1770000000e-03 -2.6012000000e-03 -9.3242000000e-03 -3.7999000000e-03 -6.1400000000e-04  3.4625000000e-03  1.4813000000e-03 -2.9909000000e-03  8.1910000000e-04 -5.4076000000e-03 -3.9754000000e-03 -2.1092000000e-03  5.9630000000e-04  4.5595000000e-03 -1.5071000000e-03  1.9529000000e-03
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4615900000e-01 -4.4656000000e-01 -2.8819000000e-02  1.1061200000e-01  7.6080500000e-01 -5.7024000000e-01 -3.6925100000e-01  2.4113290000e+00 -1.4378430000e+00 -1.1421750000e+00  2.9377710000e+00 -1.2336870000e+00  2.4618900000e-01  3.0306840000e+00 -1.8300980000e+00
-ENERGY -1.526608822641e+02
-FORCES  6.2570000000e-04  7.6126000000e-03 -5.4555000000e-03 -2.2299000000e-03  2.6211000000e-03 -7.4320000000e-04  2.7400000000e-03 -8.8794000000e-03  4.5758000000e-03 -2.3685000000e-03  2.1439000000e-03  1.7939000000e-03  4.2826000000e-03 -8.0980000000e-04 -2.1843000000e-03 -3.0498000000e-03 -2.6885000000e-03  2.0133000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3727700000e-01 -1.7586100000e-01 -5.8457500000e-01  3.8880500000e-01  4.5683700000e-01  7.4589700000e-01 -2.4724330000e+00  1.5987200000e+00  1.6231710000e+00 -2.6293180000e+00  1.3262250000e+00  7.1908800000e-01 -1.7469570000e+00  2.2203430000e+00  1.5640060000e+00
-ENERGY -1.526556985841e+02
-FORCES  5.1967000000e-03 -3.3490000000e-04  1.7061000000e-03 -3.3118000000e-03  9.6580000000e-04  2.6646000000e-03 -1.2318000000e-03 -6.7870000000e-04 -4.1188000000e-03  2.5112000000e-03 -5.9800000000e-05 -5.9535000000e-03 -1.2954000000e-03  2.5401000000e-03  4.4030000000e-03 -1.8690000000e-03 -2.4325000000e-03  1.2987000000e-03
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5551800000e-01 -4.1898000000e-02  3.8240000000e-02  2.3722300000e-01  6.6374400000e-01  6.4761100000e-01 -2.5317100000e+00 -1.6984570000e+00  2.2947600000e-01 -1.8734600000e+00 -2.2001830000e+00  7.1031900000e-01 -2.7007110000e+00 -2.2165200000e+00 -5.5746800000e-01
-ENERGY -1.526605099174e+02
-FORCES -5.9954000000e-03  1.2654000000e-03  1.3239000000e-03  8.3650000000e-03  3.2949000000e-03  4.4100000000e-04 -1.4857000000e-03 -2.9200000000e-03 -1.9408000000e-03  2.3084000000e-03 -6.4304000000e-03 -1.4102000000e-03 -3.9269000000e-03  2.7211000000e-03 -2.0742000000e-03  7.3460000000e-04  2.0690000000e-03  3.6602000000e-03
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1644000000e-01 -4.7536300000e-01  8.0213200000e-01 -3.7083500000e-01 -6.6480500000e-01 -5.8029900000e-01 -1.3501140000e+00 -1.8887160000e+00 -1.8679860000e+00 -1.8356950000e+00 -2.5494710000e+00 -1.3741790000e+00 -2.0164110000e+00 -1.4411340000e+00 -2.3894750000e+00
-ENERGY -1.526613231141e+02
-FORCES -2.7729000000e-03 -7.5434000000e-03 -4.2178000000e-03 -1.2898000000e-03  8.6180000000e-04 -2.6941000000e-03  4.2666000000e-03  6.6148000000e-03  7.7047000000e-03 -5.7402000000e-03 -8.0960000000e-04 -1.7900000000e-03  2.6120000000e-03  3.7957000000e-03 -1.8248000000e-03  2.9243000000e-03 -2.9193000000e-03  2.8220000000e-03
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8857800000e-01  6.3716500000e-01  6.5343400000e-01  7.5616700000e-01 -5.7304900000e-01 -1.2672000000e-01  1.0180930000e+00 -3.5826310000e+00 -1.2049440000e+00  4.4672200000e-01 -3.7060490000e+00 -4.4696300000e-01  1.5506190000e+00 -4.3774160000e+00 -1.2359950000e+00
-ENERGY -1.526559609432e+02
-FORCES  4.8045000000e-03  1.4590000000e-04  9.5930000000e-04 -1.1677000000e-03 -2.6388000000e-03 -2.5240000000e-03 -3.8369000000e-03  3.4616000000e-03  2.1834000000e-03 -8.8860000000e-04 -5.1006000000e-03  2.1220000000e-03  3.4044000000e-03  8.2620000000e-04 -2.9905000000e-03 -2.3158000000e-03  3.3057000000e-03  2.4980000000e-04
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3462500000e-01  1.5806900000e-01 -8.3806200000e-01 -6.9569700000e-01 -3.1938500000e-01  5.7465700000e-01  1.5328720000e+00  1.6549060000e+00  1.7633150000e+00  7.4069600000e-01  1.8154980000e+00  2.2760530000e+00  1.2158060000e+00  1.2718530000e+00  9.4540800000e-01
-ENERGY -1.526595865668e+02
-FORCES -3.5823000000e-03 -1.1412000000e-03  1.0801000000e-03  1.7708000000e-03 -5.6600000000e-04  4.6459000000e-03  2.7084000000e-03  2.3828000000e-03 -3.2168000000e-03 -8.0649000000e-03 -5.5805000000e-03 -6.4984000000e-03  2.0981000000e-03 -6.8880000000e-04 -6.5590000000e-04  5.0699000000e-03  5.5937000000e-03  4.6451000000e-03
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0822800000e-01  1.7521400000e-01  7.1804600000e-01 -5.2767300000e-01 -4.5604000000e-01 -6.5560700000e-01 -1.0179100000e+00  3.0717340000e+00  2.4074700000e-01 -2.6895600000e-01  3.4132380000e+00 -2.4779700000e-01 -6.2891700000e-01  2.5480000000e+00  9.4118900000e-01
-ENERGY -1.526541398752e+02
-FORCES -6.8390000000e-03 -2.0910000000e-04 -1.6951000000e-03  3.7952000000e-03  9.8230000000e-04 -1.2583000000e-03  2.6715000000e-03  9.7900000000e-04  2.7864000000e-03  7.3051000000e-03 -2.8712000000e-03 -1.1268000000e-03 -3.4911000000e-03  2.7320000000e-04  2.0293000000e-03 -3.4417000000e-03  8.4570000000e-04 -7.3550000000e-04
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8934300000e-01 -3.4731800000e-01  5.6604600000e-01 -4.6135700000e-01  3.0179900000e-01 -7.8249500000e-01 -1.5380790000e+00 -2.2815040000e+00 -1.2990800000e+00 -9.8640200000e-01 -1.6815080000e+00 -1.8009650000e+00 -1.7159800000e+00 -3.0042380000e+00 -1.9009420000e+00
-ENERGY -1.526550807374e+02
-FORCES -6.8313000000e-03 -2.2922000000e-03  1.0086000000e-03  3.7762000000e-03  3.5576000000e-03 -1.3412000000e-03  2.8162000000e-03 -3.3169000000e-03  6.4800000000e-04  3.5607000000e-03 -9.5050000000e-04 -3.6812000000e-03 -4.7160000000e-03 -3.1760000000e-04  8.7340000000e-04  1.3942000000e-03  3.3196000000e-03  2.4924000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9657100000e-01 -6.5729100000e-01 -3.5819500000e-01  5.7491000000e-01  6.8126300000e-01  3.4870000000e-01  1.4966710000e+00 -2.1415710000e+00 -6.8179600000e-01  2.0606850000e+00 -2.5860410000e+00 -4.8893000000e-02  1.0550050000e+00 -2.8506360000e+00 -1.1491170000e+00
-ENERGY -1.526600953699e+02
-FORCES  9.7557000000e-03 -1.0438100000e-02 -3.4037000000e-03 -5.1609000000e-03  7.9271000000e-03  9.1410000000e-04 -5.8340000000e-04 -3.0350000000e-03 -7.2300000000e-04 -4.4871000000e-03  1.7976000000e-03  4.1002000000e-03 -2.4880000000e-03  9.5850000000e-04 -3.8890000000e-03  2.9636000000e-03  2.7899000000e-03  3.0013000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5755400000e-01 -3.3445800000e-01 -8.2251100000e-01  5.1144100000e-01  7.6779400000e-01 -2.5525100000e-01  1.8566660000e+00  1.7637730000e+00 -1.2423200000e-01  2.0074380000e+00  2.6701210000e+00  1.4415700000e-01  2.5834540000e+00  1.2750520000e+00  2.6198500000e-01
-ENERGY -1.526586323084e+02
-FORCES  1.1445300000e-02  1.3308000000e-02 -1.5592000000e-03  2.7621000000e-03  2.8856000000e-03  1.5672000000e-03 -4.8319000000e-03 -6.8728000000e-03 -1.0433000000e-03 -7.5016000000e-03 -8.9489000000e-03  3.5414000000e-03  7.0990000000e-04 -4.9662000000e-03 -5.3570000000e-04 -2.5837000000e-03  4.5943000000e-03 -1.9705000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2751400000e-01  5.9208600000e-01 -1.9075700000e-01 -1.7000000000e-05 -6.2228300000e-01 -7.2732100000e-01  1.0329440000e+00 -3.0300370000e+00  1.4061250000e+00  2.5639600000e-01 -3.5895070000e+00  1.4202170000e+00  7.5993900000e-01 -2.2292320000e+00  1.8537990000e+00
-ENERGY -1.526571357383e+02
-FORCES  3.6032000000e-03 -6.5810000000e-04 -4.9723000000e-03 -3.0543000000e-03 -2.3004000000e-03  9.4550000000e-04 -8.7960000000e-04  3.5065000000e-03  2.6426000000e-03 -4.6857000000e-03  2.7913000000e-03  2.2573000000e-03  3.0183000000e-03  2.0326000000e-03 -5.3050000000e-04  1.9980000000e-03 -5.3718000000e-03 -3.4260000000e-04
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5659600000e-01  2.8591400000e-01  3.1737800000e-01  3.5315300000e-01 -5.3470800000e-01  7.1105700000e-01 -6.7341900000e-01 -1.3329720000e+00 -2.2053370000e+00 -6.3520400000e-01 -7.4154000000e-01 -1.4536860000e+00 -1.2979510000e+00 -2.0104650000e+00 -1.9461170000e+00
-ENERGY -1.526561244070e+02
-FORCES  5.9860000000e-04 -6.8225000000e-03 -1.6870000000e-03  3.6336000000e-03 -4.8720000000e-03 -5.3592000000e-03 -2.9851000000e-03  3.6498000000e-03 -2.5417000000e-03  4.5586000000e-03  6.9630000000e-03  1.4804700000e-02 -7.8699000000e-03 -1.6949000000e-03 -6.1707000000e-03  2.0642000000e-03  2.7766000000e-03  9.5400000000e-04
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5991700000e-01  2.7485500000e-01  7.2607200000e-01  5.7190300000e-01  7.5079800000e-01 -1.5956900000e-01 -7.8257100000e-01 -1.3843620000e+00 -2.0795800000e+00 -7.4143100000e-01 -8.8352000000e-01 -1.2649040000e+00 -1.5252080000e+00 -1.9763500000e+00 -1.9601100000e+00
-ENERGY -1.526582690658e+02
-FORCES -5.0730000000e-04 -1.2167000000e-03 -7.7343000000e-03  2.3423000000e-03 -1.6289000000e-03 -4.7627000000e-03 -3.4429000000e-03 -3.2023000000e-03  2.8029000000e-03  4.8808000000e-03  8.1513000000e-03  1.3710700000e-02 -5.3539000000e-03 -5.0900000000e-03 -6.2150000000e-03  2.0810000000e-03  2.9866000000e-03  2.1984000000e-03
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3037100000e-01  5.9862600000e-01  1.5632100000e-01  1.4215800000e-01 -7.1820000000e-01  6.1661300000e-01  1.0567710000e+00 -2.1623040000e+00  1.2521570000e+00  1.3999030000e+00 -1.9335100000e+00  2.1159550000e+00  1.8181090000e+00 -2.4831290000e+00  7.6876600000e-01
-ENERGY -1.526581703230e+02
-FORCES  8.0164000000e-03 -1.1564700000e-02  7.6541000000e-03 -1.5654000000e-03 -1.8453000000e-03 -2.4000000000e-04 -4.5182000000e-03  7.8802000000e-03 -1.1072000000e-03  2.6902000000e-03  3.2670000000e-03 -4.9062000000e-03 -1.8572000000e-03  9.3080000000e-04 -5.6153000000e-03 -2.7658000000e-03  1.3320000000e-03  4.2146000000e-03
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0323300000e-01  6.3024800000e-01 -1.5646800000e-01  6.2397800000e-01  1.5574200000e-01 -7.0896300000e-01  1.5931680000e+00  8.1009300000e-01 -2.0215900000e+00  1.3359820000e+00  1.1116000000e-01 -2.6229040000e+00  2.4869650000e+00  1.0333870000e+00 -2.2813950000e+00
-ENERGY -1.526583782034e+02
-FORCES  8.3313000000e-03  8.3209000000e-03 -9.5116000000e-03  1.6075000000e-03 -2.0804000000e-03  9.5000000000e-05 -6.4046000000e-03 -6.4938000000e-03  3.6810000000e-04  7.2790000000e-04 -1.4718000000e-03  3.4037000000e-03  6.8210000000e-04  3.2876000000e-03  6.3582000000e-03 -4.9443000000e-03 -1.5626000000e-03 -7.1340000000e-04
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0997600000e-01 -3.8819800000e-01  7.1095600000e-01  7.5474300000e-01  3.9678000000e-01  4.3492700000e-01  2.1673840000e+00 -1.7617490000e+00 -4.3537900000e-01  1.2482880000e+00 -1.5106470000e+00 -3.4349900000e-01  2.2120100000e+00 -2.6461850000e+00 -7.2042000000e-02
-ENERGY -1.526594749248e+02
-FORCES  2.6825000000e-03  3.5438000000e-03  4.7838000000e-03  4.2128000000e-03 -4.0970000000e-04 -4.2563000000e-03 -4.7469000000e-03 -3.8296000000e-03 -2.3630000000e-03 -8.7446000000e-03  2.5604000000e-03 -2.7250000000e-04  8.5923000000e-03 -5.6515000000e-03  2.6240000000e-03 -1.9962000000e-03  3.7867000000e-03 -5.1600000000e-04
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1811400000e-01  2.4538000000e-01  5.8338100000e-01 -4.3149600000e-01 -3.8245700000e-01 -7.6404900000e-01 -1.7565670000e+00  8.9283900000e-01  1.8254850000e+00 -2.4974530000e+00  1.4395490000e+00  1.5638960000e+00 -1.0626930000e+00  1.5160380000e+00  2.0408750000e+00
-ENERGY -1.526593720592e+02
-FORCES -1.3112700000e-02  2.4533000000e-03  9.0095000000e-03  9.6489000000e-03  7.6000000000e-04 -5.0720000000e-03 -1.4540000000e-04  1.6846000000e-03  2.6613000000e-03  2.9799000000e-03  2.8728000000e-03 -3.4360000000e-03  4.3838000000e-03 -2.6235000000e-03  1.0581000000e-03 -3.7546000000e-03 -5.1473000000e-03 -4.2208000000e-03
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1943100000e-01  1.8497500000e-01  6.0368500000e-01 -4.3009000000e-01 -2.0608000000e-01 -8.2993100000e-01 -8.6648400000e-01 -9.7117500000e-01 -2.5274710000e+00 -9.3551500000e-01 -5.5701800000e-01 -3.3876690000e+00 -2.5114700000e-01 -1.6928060000e+00 -2.6572430000e+00
-ENERGY -1.526621194091e+02
-FORCES -5.7923000000e-03 -2.2854000000e-03 -8.0333000000e-03  1.6865000000e-03 -6.1760000000e-04 -2.6049000000e-03  3.5744000000e-03  2.3320000000e-03  9.8042000000e-03  3.1783000000e-03 -5.8500000000e-04 -2.5149000000e-03  6.3340000000e-04 -2.9672000000e-03  3.5167000000e-03 -3.2804000000e-03  4.1233000000e-03 -1.6790000000e-04
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6420000000e-01  4.6258600000e-01 -7.9526300000e-01  1.4917900000e-01  6.3011300000e-01  7.0493700000e-01 -2.2388980000e+00 -1.7217860000e+00  3.1419800000e-01 -1.5706090000e+00 -1.0365230000e+00  3.0816200000e-01 -2.8244130000e+00 -1.4796780000e+00  1.0316850000e+00
-ENERGY -1.526605432006e+02
-FORCES  1.0149000000e-03  2.3886000000e-03 -2.3552000000e-03 -2.9700000000e-04 -1.2043000000e-03  4.7860000000e-03 -1.9729000000e-03 -3.1570000000e-03 -3.6451000000e-03  7.2518000000e-03  6.8848000000e-03 -1.7130000000e-04 -8.8950000000e-03 -5.2684000000e-03  3.3355000000e-03  2.8981000000e-03  3.5630000000e-04 -1.9499000000e-03
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1766300000e-01  4.9250600000e-01 -7.1386000000e-02  1.2218900000e-01 -7.5307200000e-01 -5.7808700000e-01  1.7214850000e+00 -6.1567600000e-01  2.6169080000e+00  2.1751180000e+00 -1.1188920000e+00  3.2930900000e+00  2.3862240000e+00 -4.6210500000e-01  1.9455150000e+00
-ENERGY -1.526509070350e+02
-FORCES  3.7169000000e-03 -1.6310000000e-03 -3.9860000000e-04 -2.1941000000e-03 -2.3146000000e-03  2.3600000000e-05 -2.5030000000e-04  3.2145000000e-03  2.1637000000e-03  3.9430000000e-03 -1.4211000000e-03 -4.7250000000e-04 -2.5724000000e-03  1.9380000000e-03 -3.2068000000e-03 -2.6431000000e-03  2.1410000000e-04  1.8907000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7587600000e-01  4.9581000000e-02 -7.6298100000e-01  4.8643000000e-01 -5.2696500000e-01  6.3397600000e-01 -9.6158900000e-01 -2.1926330000e+00 -1.4069370000e+00 -1.8302720000e+00 -2.5400060000e+00 -1.2045650000e+00 -8.9156300000e-01 -1.3981300000e+00 -8.7769800000e-01
-ENERGY -1.526608834313e+02
-FORCES  5.9292000000e-03 -2.9201000000e-03 -1.0963000000e-03 -5.0315000000e-03 -2.0499000000e-03  4.0448000000e-03 -3.4580000000e-03  2.1151000000e-03 -3.9050000000e-03  4.0900000000e-05  9.6045000000e-03  6.9088000000e-03  2.9308000000e-03  2.1475000000e-03  7.1730000000e-04 -4.1140000000e-04 -8.8971000000e-03 -6.6696000000e-03
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9290700000e-01  7.6303800000e-01 -4.2382700000e-01 -5.1417600000e-01  3.6399900000e-01  7.2066600000e-01 -2.2300450000e+00  2.5453700000e-01  1.7914810000e+00 -2.8879090000e+00  9.2814200000e-01  1.9638260000e+00 -2.6446330000e+00 -3.2873600000e-01  1.1557600000e+00
-ENERGY -1.526612129179e+02
-FORCES -4.3795000000e-03  4.3797000000e-03  5.8285000000e-03 -2.0543000000e-03 -1.9588000000e-03  1.9607000000e-03  6.5428000000e-03 -2.0867000000e-03 -7.5014000000e-03 -4.6884000000e-03 -1.1100000000e-03 -2.5635000000e-03  2.7121000000e-03 -3.2770000000e-03 -1.4146000000e-03  1.8674000000e-03  4.0527000000e-03  3.6904000000e-03
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8489000000e-02  2.5392000000e-01 -9.2105100000e-01 -8.3043800000e-01 -4.7133000000e-01  6.6733000000e-02 -2.5740390000e+00  6.1320300000e-01 -2.9296620000e+00 -2.1691890000e+00 -2.4440100000e-01 -3.0594400000e+00 -3.2867630000e+00  4.5107900000e-01 -2.3116230000e+00
-ENERGY -1.526544755376e+02
-FORCES -3.4947000000e-03  5.6510000000e-04 -3.9141000000e-03  6.6670000000e-04 -2.4323000000e-03  4.1486000000e-03  3.1324000000e-03  1.1958000000e-03 -2.6150000000e-04 -3.1867000000e-03 -3.7248000000e-03  5.9300000000e-04 -7.5090000000e-04  4.0795000000e-03  1.8222000000e-03  3.6332000000e-03  3.1680000000e-04 -2.3882000000e-03
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5472000000e-01 -8.7966100000e-01  3.4422300000e-01  6.5857800000e-01  5.4533800000e-01  4.3024800000e-01  1.6139830000e+00 -9.8674900000e-01 -2.0646650000e+00  1.0200230000e+00 -6.4897000000e-01 -1.3943300000e+00  1.0473170000e+00 -1.4701360000e+00 -2.6658790000e+00
-ENERGY -1.526592366185e+02
-FORCES  3.3721000000e-03 -1.1660000000e-04  3.9110000000e-03  1.1699000000e-03  4.8582000000e-03 -6.5964000000e-03 -3.0730000000e-03 -4.0902000000e-03 -3.4735000000e-03 -1.0304800000e-02  5.6677000000e-03  5.9413000000e-03  7.6939000000e-03 -7.5319000000e-03 -2.7352000000e-03  1.1420000000e-03  1.2126000000e-03  2.9528000000e-03
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9912000000e-02  6.5681700000e-01 -6.9046300000e-01  7.9512000000e-01 -4.8134800000e-01 -2.2873500000e-01 -1.0153180000e+00  2.1432730000e+00 -1.2965500000e+00 -4.9073900000e-01  2.9385870000e+00 -1.3888780000e+00 -1.6638650000e+00  2.3599690000e+00 -6.2672900000e-01
-ENERGY -1.526604275028e+02
-FORCES -3.7004000000e-03  8.9569000000e-03 -7.4884000000e-03  5.3614000000e-03 -8.2708000000e-03  4.8451000000e-03 -2.3602000000e-03  3.5746000000e-03 -9.2700000000e-04 -7.1020000000e-04 -3.4010000000e-04  6.7813000000e-03 -2.0267000000e-03 -4.4030000000e-03  9.6790000000e-04  3.4362000000e-03  4.8230000000e-04 -4.1788000000e-03
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1627300000e-01  2.6679700000e-01  5.7619800000e-01  5.5821400000e-01  7.7497400000e-01 -6.3594000000e-02  9.5231400000e-01 -1.9525420000e+00  1.4949210000e+00  1.7682800000e+00 -2.3850310000e+00  1.2431580000e+00  8.5525400000e-01 -1.2380490000e+00  8.6538900000e-01
-ENERGY -1.526592388093e+02
-FORCES -8.8890000000e-04 -2.6357000000e-03  7.0603000000e-03  4.7385000000e-03 -3.6720000000e-04 -3.4745000000e-03 -1.8861000000e-03 -5.4898000000e-03  1.6109000000e-03 -5.4080000000e-03  1.1319900000e-02 -1.1099700000e-02 -2.3303000000e-03  3.5149000000e-03 -1.0936000000e-03  5.7748000000e-03 -6.3421000000e-03  6.9965000000e-03
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0844600000e-01  5.5847000000e-01  7.1358600000e-01 -7.0952200000e-01  4.9849100000e-01 -4.0536000000e-01 -2.1196060000e+00 -1.5077950000e+00  4.0291900000e-01 -2.4004490000e+00 -1.4460930000e+00  1.3159100000e+00 -1.2773720000e+00 -1.0535540000e+00  3.7969000000e-01
-ENERGY -1.526571816814e+02
-FORCES -6.9426000000e-03 -2.0850000000e-04  1.6781000000e-03 -3.2069000000e-03 -3.1478000000e-03 -3.4430000000e-03  2.5522000000e-03 -6.4957000000e-03  5.5916000000e-03  1.6516800000e-02  7.6943000000e-03  7.5810000000e-04  2.3021000000e-03  1.3385000000e-03 -2.5654000000e-03 -1.1221600000e-02  8.1930000000e-04 -2.0193000000e-03
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8561200000e-01  5.3734300000e-01 -1.0152600000e-01  7.2591000000e-01  6.0493700000e-01 -1.5276400000e-01  1.8951550000e+00  1.7450600000e+00  6.7457000000e-02  1.6404940000e+00  2.5618690000e+00 -3.6173100000e-01  1.6148610000e+00  1.8539300000e+00  9.7620100000e-01
-ENERGY -1.526556029736e+02
-FORCES  1.6271900000e-02  1.5684000000e-02 -2.9723000000e-03  3.6930000000e-03  4.4750000000e-04  7.9870000000e-04 -8.2506000000e-03 -4.0504000000e-03  4.4542000000e-03 -9.7686000000e-03 -4.9729000000e-03  2.1498000000e-03 -9.5530000000e-04 -5.5769000000e-03  2.9614000000e-03 -9.9040000000e-04 -1.5313000000e-03 -7.3918000000e-03
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7184500000e-01 -4.2514200000e-01  8.4021200000e-01  8.3891600000e-01  3.8814600000e-01 -2.4858300000e-01  8.1326800000e-01 -1.0628250000e+00  2.2384900000e+00  1.3626800000e+00 -5.2327700000e-01  2.8070550000e+00  1.3280470000e+00 -1.8559820000e+00  2.0897040000e+00
-ENERGY -1.526575421215e+02
-FORCES  8.5629000000e-03 -7.3973000000e-03  1.8105500000e-02 -3.0806000000e-03  1.7196000000e-03 -7.0840000000e-03 -1.5184000000e-03 -9.9050000000e-04  1.0490000000e-03 -6.4000000000e-04  5.1378000000e-03 -9.3484000000e-03 -1.5207000000e-03 -3.8364000000e-03 -3.5784000000e-03 -1.8031000000e-03  5.3668000000e-03  8.5640000000e-04
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8452800000e-01 -1.7811100000e-01  5.1867600000e-01 -2.8134600000e-01  6.4795000000e-01 -6.4593800000e-01  1.5801560000e+00  1.7653490000e+00  1.3803580000e+00  9.8550000000e-01  1.5272690000e+00  6.6906800000e-01  1.7264380000e+00  9.4704400000e-01  1.8549200000e+00
-ENERGY -1.526548129181e+02
-FORCES -1.9273000000e-03  2.9392000000e-03  2.9108000000e-03  4.5693000000e-03  1.1279000000e-03 -2.5051000000e-03  4.5821000000e-03 -1.4760000000e-04  7.0046000000e-03 -7.3865000000e-03 -1.4824900000e-02 -5.9278000000e-03 -7.4250000000e-04  7.7189000000e-03 -3.1430000000e-03  9.0500000000e-04  3.1866000000e-03  1.6605000000e-03
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4882500000e-01 -4.4150900000e-01 -2.8227000000e-02  2.8507200000e-01  3.0617000000e-02 -9.1325200000e-01 -2.0536900000e+00 -1.6453050000e+00  2.9427600000e-01 -2.7751490000e+00 -1.4325440000e+00  8.8627400000e-01 -2.4812610000e+00 -1.9708020000e+00 -4.9785200000e-01
-ENERGY -1.526581389525e+02
-FORCES -1.2669400000e-02 -1.0913500000e-02  8.9030000000e-04  6.2509000000e-03  7.1020000000e-03 -2.9703000000e-03 -2.5349000000e-03 -1.4717000000e-03  2.2417000000e-03  2.6261000000e-03  3.4786000000e-03 -3.5200000000e-05  3.6145000000e-03 -1.3106000000e-03 -4.1461000000e-03  2.7128000000e-03  3.1153000000e-03  4.0197000000e-03
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6894300000e-01  7.0920100000e-01 -2.9928100000e-01 -5.1793300000e-01 -2.3349600000e-01 -7.7036100000e-01 -1.5722530000e+00 -1.5238340000e+00 -1.5992880000e+00 -2.3293670000e+00 -1.8749640000e+00 -1.1305470000e+00 -1.9095270000e+00 -1.3004700000e+00 -2.4668060000e+00
-ENERGY -1.526593046554e+02
-FORCES -6.0346000000e-03 -6.2652000000e-03 -7.9206000000e-03 -2.9272000000e-03 -2.8915000000e-03 -1.1385000000e-03  5.7184000000e-03  7.8472000000e-03  4.1559000000e-03 -2.0022000000e-03 -3.3280000000e-04  3.8885000000e-03  3.0592000000e-03  1.4697000000e-03 -3.9831000000e-03  2.1864000000e-03  1.7270000000e-04  4.9978000000e-03
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7549400000e-01 -4.5352700000e-01  6.9602500000e-01  5.6083800000e-01  6.2453800000e-01  4.6004800000e-01 -1.2968960000e+00 -8.7282400000e-01  2.1882000000e+00 -1.4801060000e+00 -9.0952000000e-02  2.7091060000e+00 -2.1015320000e+00 -1.3888100000e+00  2.2386910000e+00
-ENERGY -1.526592044395e+02
-FORCES -6.2984000000e-03 -5.2281000000e-03  1.4574000000e-02  4.0989000000e-03  3.0929000000e-03 -7.2721000000e-03 -2.2635000000e-03 -1.1334000000e-03 -4.9240000000e-04 -2.3040000000e-04  4.0111000000e-03 -4.5129000000e-03  9.0710000000e-04 -4.2845000000e-03 -2.6094000000e-03  3.7863000000e-03  3.5419000000e-03  3.1290000000e-04
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6429800000e-01  7.7317000000e-01  2.6570000000e-03  4.1535600000e-01  3.0750000000e-03  8.6238200000e-01 -2.6355280000e+00 -1.2919940000e+00  1.4900020000e+00 -1.8434370000e+00 -1.8207940000e+00  1.5858860000e+00 -3.3443000000e+00 -1.9316710000e+00  1.4215390000e+00
-ENERGY -1.526551548757e+02
-FORCES -3.1996000000e-03  4.1542000000e-03  3.4611000000e-03  3.9602000000e-03 -2.1131000000e-03 -7.0250000000e-04 -1.6394000000e-03 -1.3019000000e-03 -3.2305000000e-03  1.7027000000e-03 -4.9905000000e-03 -1.5813000000e-03 -3.7823000000e-03  1.6262000000e-03  1.9894000000e-03  2.9584000000e-03  2.6250000000e-03  6.3800000000e-05
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4276200000e-01  7.6535500000e-01 -5.2108600000e-01 -4.3673200000e-01  1.3402200000e-01  8.4115100000e-01  1.8299000000e+00 -1.9289910000e+00 -3.2239600000e-01  2.3425900000e+00 -1.6652530000e+00 -1.0864790000e+00  1.2954270000e+00 -1.1622710000e+00 -1.1573100000e-01
-ENERGY -1.526590313047e+02
-FORCES  3.5677000000e-03 -3.3800000000e-03 -1.1721000000e-03  2.2420000000e-04 -3.2637000000e-03  3.5350000000e-03  2.0470000000e-03  2.1100000000e-04 -4.8713000000e-03 -9.6347000000e-03  1.2177700000e-02 -4.2960000000e-04 -1.9427000000e-03  4.9700000000e-05  1.7838000000e-03  5.7387000000e-03 -5.7947000000e-03  1.1542000000e-03
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1321700000e-01 -3.3280200000e-01 -7.3626300000e-01  3.9112900000e-01 -7.8064600000e-01  3.9222700000e-01  1.9888970000e+00  2.2200070000e+00 -7.6143900000e-01  1.2866520000e+00  1.7197310000e+00 -3.4573700000e-01  2.3764920000e+00  2.7275780000e+00 -4.8436000000e-02
-ENERGY -1.526611040718e+02
-FORCES -5.2540000000e-04 -5.9416000000e-03 -2.3486000000e-03  2.2050000000e-03  7.4750000000e-04  3.8302000000e-03 -2.3318000000e-03  3.2384000000e-03 -1.7416000000e-03 -4.3725000000e-03 -3.3152000000e-03  4.4351000000e-03  6.4631000000e-03  7.5662000000e-03 -2.1791000000e-03 -1.4383000000e-03 -2.2952000000e-03 -1.9960000000e-03
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8070800000e-01 -5.7885400000e-01 -3.4321500000e-01 -3.6006300000e-01  4.3251600000e-01 -7.7428400000e-01  1.3887440000e+00  1.7203900000e+00  2.0845340000e+00  1.1388300000e+00  1.0430400000e+00  1.4560660000e+00  2.0653990000e+00  1.3101520000e+00  2.6231200000e+00
-ENERGY -1.526598890615e+02
-FORCES -1.8945000000e-03  4.5400000000e-05 -6.6012000000e-03 -2.1648000000e-03  4.0292000000e-03  3.1642000000e-03  1.8513000000e-03 -3.1831000000e-03  3.0627000000e-03 -2.5971000000e-03 -5.7090000000e-03 -3.4174000000e-03  7.1737000000e-03  4.2578000000e-03  6.4850000000e-03 -2.3685000000e-03  5.5980000000e-04 -2.6933000000e-03
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1907300000e-01  2.4730300000e-01 -6.8689300000e-01 -5.5985500000e-01 -6.6056800000e-01 -4.0797600000e-01  1.4897060000e+00  4.9458400000e-01 -2.3031510000e+00  9.1609200000e-01  1.2591890000e+00 -2.3539170000e+00  2.3558020000e+00  8.2837300000e-01 -2.5370170000e+00
-ENERGY -1.526591425906e+02
-FORCES  7.2174000000e-03 -2.6899000000e-03 -1.0296300000e-02 -7.6879000000e-03  4.3867000000e-03  4.2827000000e-03  1.0350000000e-03  2.5011000000e-03  1.1742000000e-03  1.4192000000e-03  2.5461000000e-03  4.8600000000e-05  3.0442000000e-03 -5.9482000000e-03  4.2893000000e-03 -5.0279000000e-03 -7.9580000000e-04  5.0150000000e-04
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8661100000e-01  7.1533400000e-01 -5.0503600000e-01 -6.8990200000e-01 -6.6197400000e-01  4.5357000000e-02  2.5156070000e+00  1.8005040000e+00 -2.2394700000e-01  1.6665650000e+00  2.2389270000e+00 -1.6787700000e-01  3.1560850000e+00  2.5011840000e+00 -1.0120100000e-01
-ENERGY -1.526515593579e+02
-FORCES -4.1426000000e-03 -9.3390000000e-04 -2.5882000000e-03  2.6631000000e-03 -1.2090000000e-03  3.1974000000e-03  3.3825000000e-03  2.6976000000e-03 -1.3230000000e-04 -1.9573000000e-03  3.6873000000e-03  1.8704000000e-03  2.7027000000e-03 -7.2070000000e-04 -1.9525000000e-03 -2.6484000000e-03 -3.5213000000e-03 -3.9470000000e-04
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8123000000e-01  5.9759100000e-01 -4.7041300000e-01  4.0525400000e-01  5.4238300000e-01  6.7662600000e-01 -1.4411560000e+00 -2.1608600000e+00  7.4310500000e-01 -9.9474000000e-01 -1.4055000000e+00  3.6051600000e-01 -2.2567820000e+00 -1.8045600000e+00  1.0952910000e+00
-ENERGY -1.526588790383e+02
-FORCES -1.7101000000e-03 -1.3849000000e-03  4.8018000000e-03  1.5786000000e-03 -4.4609000000e-03  4.1152000000e-03 -2.6274000000e-03 -1.1713000000e-03 -4.4780000000e-03  7.6678000000e-03  1.3420100000e-02 -3.1084000000e-03 -7.6548000000e-03 -6.7138000000e-03  1.1760000000e-04  2.7460000000e-03  3.1080000000e-04 -1.4482000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2290400000e-01 -2.1887500000e-01  1.2873900000e-01 -4.3479400000e-01 -8.4614200000e-01 -1.0596600000e-01  2.5308220000e+00  2.1020500000e+00 -5.6598300000e-01  3.1255610000e+00  2.8381530000e+00 -7.0975200000e-01  2.2348500000e+00  1.8578400000e+00 -1.4429050000e+00
-ENERGY -1.526559440461e+02
-FORCES  2.8705000000e-03 -3.5593000000e-03  1.7421000000e-03 -5.2622000000e-03 -1.0409000000e-03 -1.7151000000e-03  1.8963000000e-03  3.6446000000e-03  2.4040000000e-04  2.5620000000e-04  3.4147000000e-03 -4.3131000000e-03 -2.6003000000e-03 -2.9424000000e-03  3.2260000000e-04  2.8394000000e-03  4.8340000000e-04  3.7231000000e-03
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2652800000e-01  6.1687300000e-01  8.8639000000e-02 -7.8297200000e-01  5.2669600000e-01  1.6055300000e-01  2.2393320000e+00  1.5854440000e+00  2.7076200000e-01  2.2328180000e+00  2.2057730000e+00  9.9972100000e-01  3.0132420000e+00  1.0433570000e+00  4.2385400000e-01
-ENERGY -1.526609123562e+02
-FORCES  9.6988000000e-03  9.6129000000e-03  8.6120000000e-04 -8.9865000000e-03 -6.2422000000e-03 -2.7560000000e-04  3.1749000000e-03 -4.3270000000e-04  1.8330000000e-04  2.7030000000e-04 -2.9230000000e-03  2.8612000000e-03 -1.6830000000e-04 -3.6028000000e-03 -3.5889000000e-03 -3.9892000000e-03  3.5878000000e-03 -4.1100000000e-05
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2421100000e-01 -8.1249100000e-01  2.7592700000e-01  5.7395000000e-01 -2.6146400000e-01 -7.2003500000e-01 -6.5338400000e-01  2.3109850000e+00 -1.2101330000e+00 -1.5285870000e+00  2.5445280000e+00 -9.0076300000e-01 -4.4302000000e-01  1.5007570000e+00 -7.4590300000e-01
-ENERGY -1.526589878253e+02
-FORCES -3.1826000000e-03  1.9450000000e-03 -3.8402000000e-03  3.3202000000e-03  3.0758000000e-03 -1.8024000000e-03 -4.9363000000e-03  3.0925000000e-03  3.6867000000e-03 -1.3330000000e-04 -1.2522500000e-02  9.6806000000e-03  2.0760000000e-03 -1.0645000000e-03 -6.0240000000e-04  2.8559000000e-03  5.4738000000e-03 -7.1222000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8163500000e-01 -7.6046200000e-01  3.2551000000e-01  3.9538300000e-01  3.8618200000e-01  7.8151600000e-01  1.9429440000e+00 -2.2260810000e+00  1.5614310000e+00  2.4274000000e+00 -2.8935850000e+00  2.0472020000e+00  1.5444480000e+00 -2.7016130000e+00  8.3252500000e-01
-ENERGY -1.526559721693e+02
-FORCES  1.4701000000e-03 -1.6718000000e-03  6.6056000000e-03  1.3922000000e-03  2.0262000000e-03 -2.6920000000e-03 -2.9337000000e-03  2.8220000000e-04 -3.7999000000e-03  1.5965000000e-03 -4.9152000000e-03 -2.0854000000e-03 -2.1392000000e-03  2.9345000000e-03 -2.2674000000e-03  6.1420000000e-04  1.3440000000e-03  4.2391000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5764300000e-01 -4.0579000000e-01  1.2655000000e-01 -5.3217500000e-01 -6.8492200000e-01 -4.0485000000e-01 -1.7005100000e+00  3.0155900000e-01  1.9458570000e+00 -1.3493440000e+00  6.3953600000e-01  2.7696810000e+00 -9.2885700000e-01  1.5099200000e-01  1.3998600000e+00
-ENERGY -1.526578975836e+02
-FORCES -6.0245000000e-03 -1.8542000000e-03  4.0173000000e-03 -5.6217000000e-03  1.9581000000e-03  8.2100000000e-04  3.5739000000e-03  3.8840000000e-03  4.6794000000e-03  1.4039800000e-02  4.6900000000e-05 -1.3138900000e-02  1.3553000000e-03 -1.3010000000e-03 -3.5000000000e-03 -7.3227000000e-03 -2.7338000000e-03  7.1210000000e-03
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2705200000e-01  4.6870800000e-01 -8.0311400000e-01  6.2828600000e-01 -6.6562300000e-01 -2.8006100000e-01 -2.1037290000e+00 -1.9305820000e+00 -8.2717300000e-01 -2.9002840000e+00 -1.4094480000e+00 -9.2792100000e-01 -1.5027720000e+00 -1.3601610000e+00 -3.4790000000e-01
-ENERGY -1.526601470386e+02
-FORCES  4.6486000000e-03  1.0994000000e-03 -5.4902000000e-03 -4.5280000000e-04 -3.3377000000e-03  4.5669000000e-03 -5.3333000000e-03  2.6510000000e-03  1.6865000000e-03  2.6971000000e-03  7.4728000000e-03  5.1274000000e-03  3.1650000000e-03 -1.1035000000e-03 -1.7550000000e-04 -4.7246000000e-03 -6.7820000000e-03 -5.7152000000e-03
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7079600000e-01  5.1997000000e-02 -8.3179300000e-01 -8.1247000000e-01 -4.5935600000e-01 -2.1240600000e-01  1.8924020000e+00 -1.8940040000e+00  2.2536300000e-01  1.1865490000e+00 -1.2868250000e+00  4.4748100000e-01  1.7478890000e+00 -2.1027100000e+00 -6.9756200000e-01
-ENERGY -1.526556892439e+02
-FORCES  2.9759000000e-03 -4.0353000000e-03 -4.3198000000e-03 -1.6095000000e-03 -4.1957000000e-03  5.2702000000e-03  6.1525000000e-03  8.6960000000e-04  7.9110000000e-04 -1.3381000000e-02  1.0919900000e-02 -1.1295000000e-03  6.1715000000e-03 -6.0215000000e-03 -2.4285000000e-03 -3.0950000000e-04  2.4631000000e-03  1.8165000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7059300000e-01 -5.8094800000e-01  3.5921500000e-01  3.4962400000e-01  2.7489400000e-01 -8.4760200000e-01  1.9665530000e+00 -1.8767500000e+00  3.3987700000e-01  2.2560620000e+00 -2.4124990000e+00  1.0783830000e+00  1.9231980000e+00 -2.4866180000e+00 -3.9661000000e-01
-ENERGY -1.526599789139e+02
-FORCES  1.1968000000e-02 -8.4017000000e-03  4.1930000000e-04 -6.2734000000e-03  5.8604000000e-03 -4.7400000000e-05 -1.4162000000e-03 -1.2713000000e-03  1.5903000000e-03 -3.8144000000e-03 -8.0920000000e-04 -1.7005000000e-03 -1.7475000000e-03  1.9777000000e-03 -4.2664000000e-03  1.2835000000e-03  2.6441000000e-03  4.0048000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0247700000e-01  3.9256200000e-01 -6.3178200000e-01 -6.7856900000e-01  6.6280000000e-01  1.2834100000e-01  1.7249240000e+00  7.4746800000e-01 -2.0456950000e+00  1.1345010000e+00  1.3653830000e+00 -2.4767560000e+00  2.5517490000e+00  1.2227690000e+00 -1.9639550000e+00
-ENERGY -1.526591006623e+02
-FORCES  7.7784000000e-03  3.9371000000e-03 -8.0986000000e-03 -9.2590000000e-03  1.9330000000e-04  6.2806000000e-03  3.0270000000e-03 -1.1890000000e-03 -2.1862000000e-03  1.2290000000e-03  2.0869000000e-03 -5.4620000000e-04  2.1427000000e-03 -3.1826000000e-03  5.5469000000e-03 -4.9181000000e-03 -1.8456000000e-03 -9.9650000000e-04
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8866000000e-02  6.7830600000e-01 -6.7280600000e-01  8.4680200000e-01 -4.1860500000e-01 -1.5468800000e-01  2.4455230000e+00  2.0085360000e+00 -3.3591700000e-01  1.9713880000e+00  1.8499970000e+00 -1.1521850000e+00  1.7601320000e+00  2.0978410000e+00  3.2627300000e-01
-ENERGY -1.526540513107e+02
-FORCES  4.7022000000e-03 -4.0390000000e-04 -3.6855000000e-03  1.8832000000e-03 -6.6000000000e-04  3.0080000000e-03 -4.8753000000e-03  1.6969000000e-03  3.2630000000e-04 -5.6628000000e-03  5.7600000000e-05  1.0737000000e-03  3.4460000000e-04 -1.1969000000e-03  3.3858000000e-03  3.6080000000e-03  5.0630000000e-04 -4.1083000000e-03
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2074900000e-01  8.5467500000e-01  2.8789200000e-01  6.9590800000e-01  2.0295200000e-01 -6.2510300000e-01 -1.2232500000e+00  2.1018350000e+00  7.8402000000e-01 -1.8051940000e+00  1.4744320000e+00  1.2129010000e+00 -1.7644390000e+00  2.5065460000e+00  1.0611500000e-01
-ENERGY -1.526563185826e+02
-FORCES -8.0919000000e-03  2.1184700000e-02  5.7575000000e-03 -4.4310000000e-04 -1.0302700000e-02  7.5110000000e-04 -2.8129000000e-03  1.6585000000e-03  1.4715000000e-03  2.3927000000e-03 -1.1934200000e-02 -6.7743000000e-03  6.2764000000e-03  2.0394000000e-03 -4.9954000000e-03  2.6787000000e-03 -2.6456000000e-03  3.7895000000e-03
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5636700000e-01  2.7956400000e-01  3.2359200000e-01 -1.9496100000e-01 -5.0556900000e-01 -7.8906400000e-01  2.4416000000e+00  1.4552080000e+00 -5.4710000000e-02  1.5954300000e+00  1.0107070000e+00 -1.0616300000e-01  3.0536070000e+00  7.7455200000e-01  2.2526600000e-01
-ENERGY -1.526616399577e+02
-FORCES -2.7089000000e-03  9.9990000000e-04 -7.2650000000e-04  3.4515000000e-03 -2.4708000000e-03 -2.4834000000e-03  7.9320000000e-04  2.7594000000e-03  4.1945000000e-03 -8.5577000000e-03 -7.5602000000e-03  1.9465000000e-03  8.7461000000e-03  4.5633000000e-03 -1.7356000000e-03 -1.7242000000e-03  1.7084000000e-03 -1.1954000000e-03
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8855500000e-01 -4.4937900000e-01  7.9437200000e-01 -8.2966100000e-01  4.1017600000e-01  2.4423300000e-01  1.9426000000e+00  1.9253530000e+00  8.4904000000e-01  1.3657440000e+00  1.2211320000e+00  5.5316500000e-01  2.8049520000e+00  1.5158320000e+00  9.1885500000e-01
-ENERGY -1.526589623469e+02
-FORCES -4.9173000000e-03 -3.1600000000e-05  3.2973000000e-03  1.9862000000e-03  6.3217000000e-03 -4.5897000000e-03  4.9703000000e-03 -2.3849000000e-03 -8.7110000000e-04 -4.8915000000e-03 -7.3496000000e-03 -6.0699000000e-03  6.6851000000e-03  3.5472000000e-03  8.2588000000e-03 -3.8328000000e-03 -1.0280000000e-04 -2.5400000000e-05
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2973800000e-01 -4.4446600000e-01 -7.3075800000e-01  4.3527600000e-01 -7.0119500000e-01  4.8486400000e-01  1.5517530000e+00  2.1857410000e+00 -7.1349600000e-01  1.0255800000e+00  1.4093550000e+00 -5.2219000000e-01  2.2761190000e+00  1.8591820000e+00 -1.2472420000e+00
-ENERGY -1.526607437665e+02
-FORCES  1.3313000000e-03 -1.5681000000e-03 -4.4400000000e-04  3.4819000000e-03  2.0013000000e-03  3.7600000000e-03 -2.3410000000e-03  3.0592000000e-03 -3.6392000000e-03 -6.1082000000e-03 -1.1331600000e-02  2.6211000000e-03  6.2154000000e-03  8.0154000000e-03 -4.0089000000e-03 -2.5794000000e-03 -1.7620000000e-04  1.7110000000e-03
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3730800000e-01 -6.8379900000e-01  3.9993900000e-01 -4.6651300000e-01 -4.4459000000e-01 -7.0776900000e-01  1.2281830000e+00 -1.7347850000e+00  1.7072890000e+00  1.6059510000e+00 -2.5998140000e+00  1.5483950000e+00  4.9014000000e-01 -1.8993430000e+00  2.2941840000e+00
-ENERGY -1.526603938280e+02
-FORCES  6.7194000000e-03 -9.6896000000e-03  6.1281000000e-03 -6.0938000000e-03  5.9675000000e-03 -6.3760000000e-03  1.8815000000e-03 -5.2000000000e-06  2.9470000000e-03 -3.6397000000e-03 -5.3400000000e-05  5.3380000000e-04 -3.1063000000e-03  4.1891000000e-03  5.9210000000e-04  4.2388000000e-03 -4.0840000000e-04 -3.8249000000e-03
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4466300000e-01 -2.6850300000e-01  7.3991900000e-01  5.6966300000e-01 -7.5157600000e-01 -1.6385800000e-01 -8.8733000000e-01  1.4327350000e+00 -2.4178700000e+00 -7.3670600000e-01  8.4695700000e-01 -1.6759750000e+00 -1.1882650000e+00  8.5707800000e-01 -3.1209270000e+00
-ENERGY -1.526609918713e+02
-FORCES  1.2039000000e-03 -3.2661000000e-03  3.6821000000e-03  3.0641000000e-03  5.3630000000e-04 -3.7566000000e-03 -3.6761000000e-03  3.2876000000e-03  7.3490000000e-04  1.5313000000e-03 -5.7505000000e-03  5.9870000000e-03 -3.4763000000e-03  4.0672000000e-03 -9.4798000000e-03  1.3531000000e-03  1.1255000000e-03  2.8324000000e-03
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8207500000e-01  7.0744100000e-01 -5.1940200000e-01 -6.1125600000e-01 -7.2955100000e-01 -1.0175700000e-01 -1.6258180000e+00  6.1524800000e-01  2.0478200000e+00 -9.8738900000e-01  4.4290700000e-01  1.3557650000e+00 -1.1318550000e+00  1.0879740000e+00  2.7177170000e+00
-ENERGY -1.526580470882e+02
-FORCES -5.7829000000e-03 -1.3450000000e-04 -2.4850000000e-04  7.7840000000e-04 -3.7388000000e-03  6.5971000000e-03  2.1963000000e-03  7.0086000000e-03  4.0728000000e-03  1.4025300000e-02 -2.8089000000e-03 -9.8885000000e-03 -1.0571500000e-02  7.7700000000e-04  2.3270000000e-03 -6.4570000000e-04 -1.1033000000e-03 -2.8599000000e-03
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1737100000e-01  6.3310900000e-01  2.8000000000e-02 -2.3521200000e-01 -6.5827400000e-01  6.5389800000e-01  2.0194260000e+00  1.5795280000e+00  9.3431900000e-01  2.1353090000e+00  2.1343900000e+00  1.7056360000e+00  1.2417310000e+00  1.0566990000e+00  1.1294450000e+00
-ENERGY -1.526553316505e+02
-FORCES -2.3776000000e-03  9.5580000000e-04 -1.7069000000e-03  4.9818000000e-03 -2.9403000000e-03  2.1058000000e-03  3.2846000000e-03  5.9920000000e-03 -1.3763000000e-03 -7.1101000000e-03 -6.3123000000e-03 -2.5201000000e-03 -2.8655000000e-03 -3.1898000000e-03 -3.0170000000e-03  4.0868000000e-03  5.4946000000e-03  6.5146000000e-03
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0980000000e-01  4.7939000000e-01 -1.7504500000e-01  1.1052200000e-01 -5.7028000000e-01 -7.6078800000e-01 -2.2309130000e+00  1.4714060000e+00 -4.6539300000e-01 -1.9434360000e+00  1.7964660000e+00 -1.3185780000e+00 -2.9386930000e+00  8.5957600000e-01 -6.6773600000e-01
-ENERGY -1.526584200500e+02
-FORCES -1.3631100000e-02  7.7480000000e-03 -2.6237000000e-03  9.2311000000e-03 -6.4468000000e-03 -2.1966000000e-03 -2.1268000000e-03  2.8680000000e-03  1.4752000000e-03  6.8950000000e-04 -1.7625000000e-03 -2.2170000000e-03  2.7700000000e-05 -4.8687000000e-03  5.2490000000e-03  5.8095000000e-03  2.4620000000e-03  3.1310000000e-04
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4688300000e-01 -5.6838400000e-01  6.8763700000e-01 -4.3298700000e-01 -5.9760500000e-01 -6.0960800000e-01  1.6908060000e+00  1.8488190000e+00  1.7893110000e+00  2.0980550000e+00  2.5097450000e+00  2.3492720000e+00  1.4163770000e+00  2.3311360000e+00  1.0093810000e+00
-ENERGY -1.526570843880e+02
-FORCES  6.5360000000e-04 -4.8657000000e-03  2.2936000000e-03 -2.8375000000e-03  4.2300000000e-04 -4.4611000000e-03  1.8675000000e-03  2.4680000000e-03  2.6506000000e-03 -7.9070000000e-04  4.4623000000e-03 -2.7409000000e-03 -1.8021000000e-03 -2.6495000000e-03 -2.4499000000e-03  2.9092000000e-03  1.6190000000e-04  4.7077000000e-03
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0145200000e-01 -7.7491600000e-01  2.5354000000e-01 -5.5462700000e-01  4.4589300000e-01 -6.4015700000e-01 -1.3650450000e+00  2.5582920000e+00  2.1020370000e+00 -8.7713300000e-01  2.9237900000e+00  1.3640770000e+00 -1.2037330000e+00  3.1680970000e+00  2.8220010000e+00
-ENERGY -1.526540855663e+02
-FORCES -5.5002000000e-03 -1.7149000000e-03  1.1650000000e-04  2.4405000000e-03  2.4580000000e-03 -1.8230000000e-03  2.8080000000e-03 -9.8040000000e-04  2.2803000000e-03  4.1527000000e-03  3.1385000000e-03 -2.5640000000e-04 -3.1989000000e-03 -3.3660000000e-04  2.5232000000e-03 -7.0230000000e-04 -2.5647000000e-03 -2.8406000000e-03
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9299200000e-01 -7.2963300000e-01  3.7526800000e-01 -2.9921700000e-01 -3.2423100000e-01 -8.4945600000e-01  7.7413300000e-01 -2.6452640000e+00  1.5426590000e+00  1.6210300000e+00 -3.0857410000e+00  1.4721050000e+00  1.3955100000e-01 -3.2956500000e+00  1.2417680000e+00
-ENERGY -1.526596917324e+02
-FORCES  1.8200000000e-03 -6.9740000000e-03  1.2232000000e-03 -1.9494000000e-03  7.5842000000e-03 -5.5420000000e-03  8.0330000000e-04  7.7310000000e-04  2.8804000000e-03 -7.8000000000e-06 -6.7603000000e-03  1.0423000000e-03 -4.2839000000e-03  2.3316000000e-03 -3.4300000000e-04  3.6178000000e-03  3.0455000000e-03  7.3910000000e-04
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9851500000e-01  5.2405900000e-01 -6.2985000000e-02 -7.3840000000e-02 -6.3633200000e-01 -7.1123900000e-01  1.8668950000e+00  2.0400100000e+00  6.2165700000e-01  1.6629060000e+00  2.9432910000e+00  3.7936900000e-01  1.3354970000e+00  1.5070490000e+00  3.0219000000e-02
-ENERGY -1.526582492081e+02
-FORCES -4.0761000000e-03 -1.6896000000e-03 -2.1600000000e-05  5.5041000000e-03 -1.4839000000e-03 -1.0362000000e-03  4.4270000000e-04  3.9786000000e-03  3.4529000000e-03 -5.5796000000e-03 -5.8151000000e-03 -3.5264000000e-03 -9.6350000000e-04 -3.9703000000e-03  4.4750000000e-04  4.6723000000e-03  8.9804000000e-03  6.8380000000e-04
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9481900000e-01 -3.4180000000e-01 -5.6270000000e-01  4.6263900000e-01  4.6613800000e-01  6.9635700000e-01 -1.6736080000e+00  1.7589160000e+00 -1.5226280000e+00 -1.3551990000e+00  1.3621400000e+00 -7.1181600000e-01 -2.2661680000e+00  2.4528850000e+00 -1.2336460000e+00
-ENERGY -1.526594904980e+02
-FORCES  5.3798000000e-03 -4.5140000000e-04 -3.5380000000e-03 -2.1139000000e-03  9.5970000000e-04  4.2116000000e-03 -3.4618000000e-03 -9.1290000000e-04 -3.8044000000e-03  2.9822000000e-03 -4.6892000000e-03  5.5347000000e-03 -5.8069000000e-03  8.0181000000e-03 -2.9695000000e-03  3.0207000000e-03 -2.9243000000e-03  5.6560000000e-04
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7639000000e-01 -2.5053700000e-01 -6.2925400000e-01 -5.2778600000e-01  6.5155700000e-01 -4.6167800000e-01 -2.1058240000e+00 -1.5440010000e+00  4.2214600000e-01 -1.2372160000e+00 -1.1548530000e+00  5.2370500000e-01 -1.9442110000e+00 -2.3818380000e+00 -1.1608000000e-02
-ENERGY -1.526586102483e+02
-FORCES -8.2393000000e-03 -3.4752000000e-03 -3.9325000000e-03 -4.0806000000e-03  1.0825000000e-03  2.3319000000e-03  4.0572000000e-03 -3.3225000000e-03  2.0633000000e-03  1.5523500000e-02  7.0482000000e-03 -2.8855000000e-03 -7.9378000000e-03 -4.2234000000e-03  1.7438000000e-03  6.7710000000e-04  2.8904000000e-03  6.7900000000e-04
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5871800000e-01  6.4998000000e-02  5.7996000000e-01 -3.2351700000e-01 -4.7378200000e-01 -7.6622400000e-01 -1.0450960000e+00 -1.3479080000e+00 -2.0480520000e+00 -3.4307000000e-01 -1.9978020000e+00 -2.0801330000e+00 -1.8494770000e+00 -1.8589090000e+00 -2.1379490000e+00
-ENERGY -1.526576954069e+02
-FORCES -1.1321500000e-02 -7.3696000000e-03 -1.1933600000e-02  1.7056000000e-03 -3.0990000000e-04 -1.2920000000e-03  8.5421000000e-03 -3.4000000000e-05  3.8342000000e-03  3.5620000000e-04  8.3050000000e-04  6.8101000000e-03 -4.0429000000e-03  5.4191000000e-03  2.7207000000e-03  4.7605000000e-03  1.4639000000e-03 -1.3940000000e-04
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8017200000e-01  6.6284600000e-01  1.1930200000e-01 -3.5539900000e-01 -5.9192000000e-01 -6.6298900000e-01 -1.8079750000e+00  1.8802120000e+00  1.5557800000e-01 -2.4307140000e+00  1.6233100000e+00  8.3559900000e-01 -1.2942760000e+00  2.5829600000e+00  5.5368600000e-01
-ENERGY -1.526581030007e+02
-FORCES -1.6196200000e-02  1.4560300000e-02 -1.7428000000e-03  7.3731000000e-03 -5.8112000000e-03  3.2458000000e-03 -2.2200000000e-04  1.8070000000e-03  2.0633000000e-03  6.1258000000e-03 -4.5062000000e-03  1.7485000000e-03  5.3049000000e-03  2.6510000000e-04 -3.7964000000e-03 -2.3856000000e-03 -6.3149000000e-03 -1.5184000000e-03
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5369600000e-01 -3.9630600000e-01  1.7428900000e-01  5.4733000000e-02  4.1870000000e-02 -9.5471600000e-01  7.7917300000e-01  2.3004370000e+00  9.5995400000e-01  1.4384200000e+00  2.5459440000e+00  3.1083700000e-01  4.4661400000e-01  1.4556830000e+00  6.5659500000e-01
-ENERGY -1.526576526147e+02
-FORCES  3.6120000000e-04  9.5296000000e-03  2.1550000000e-03  4.6289000000e-03  2.1374000000e-03 -2.2154000000e-03 -4.2630000000e-04  4.1120000000e-04  5.5108000000e-03 -4.7472000000e-03 -1.8378200000e-02 -7.7311000000e-03 -2.3886000000e-03 -1.8155000000e-03  4.1880000000e-04  2.5719000000e-03  8.1156000000e-03  1.8619000000e-03
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5934500000e-01 -6.4330400000e-01  6.9065300000e-01 -9.3555900000e-01  1.9248800000e-01  6.2533000000e-02 -9.5708400000e-01 -2.6494230000e+00 -1.6773810000e+00 -2.8774800000e-01 -3.2714030000e+00 -1.3921400000e+00 -1.6004460000e+00 -3.1852090000e+00 -2.1413330000e+00
-ENERGY -1.526530998144e+02
-FORCES -5.1056000000e-03 -4.3464000000e-03  7.0430000000e-04  3.7650000000e-04  2.6268000000e-03 -1.9341000000e-03  3.7307000000e-03  9.0230000000e-04  9.3060000000e-04  1.6508000000e-03 -4.5036000000e-03 -1.3605000000e-03 -3.2087000000e-03  2.3513000000e-03 -5.7200000000e-04  2.5564000000e-03  2.9697000000e-03  2.2317000000e-03
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7225800000e-01 -7.2552000000e-01 -2.4974400000e-01 -1.7337600000e-01  1.3255700000e-01  9.3198800000e-01 -1.8962660000e+00  6.4040400000e-01  2.2983520000e+00 -2.2848830000e+00  1.3180610000e+00  1.7451890000e+00 -2.5181670000e+00 -8.6251000000e-02  2.2603420000e+00
-ENERGY -1.526591249732e+02
-FORCES -5.4872000000e-03 -1.5291000000e-03  7.2456000000e-03  1.4707000000e-03  2.3424000000e-03  2.0850000000e-04  4.6293000000e-03 -1.2310000000e-03 -6.8840000000e-03 -5.7814000000e-03  1.2557000000e-03 -2.7725000000e-03  1.6558000000e-03 -3.7626000000e-03  3.0107000000e-03  3.5128000000e-03  2.9246000000e-03 -8.0830000000e-04
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6611700000e-01 -4.3665200000e-01  5.3090100000e-01 -4.5345600000e-01  2.3275000000e-01 -8.1020800000e-01  1.6587070000e+00  1.5357640000e+00  1.7902840000e+00  1.2304480000e+00  1.0011050000e+00  1.1217300000e+00  2.2961070000e+00  9.4790100000e-01  2.1957100000e+00
-ENERGY -1.526617611057e+02
-FORCES -4.0413000000e-03  1.0255000000e-03 -5.4880000000e-04  3.1339000000e-03  1.8959000000e-03 -3.1938000000e-03  9.5070000000e-04 -2.0859000000e-03  4.0266000000e-03 -3.3507000000e-03 -6.4266000000e-03 -6.3428000000e-03  5.9324000000e-03  4.4124000000e-03  7.4184000000e-03 -2.6250000000e-03  1.1787000000e-03 -1.3596000000e-03
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8173500000e-01 -6.5713700000e-01 -1.4014600000e-01 -7.5241500000e-01 -4.9886600000e-01  3.1817800000e-01  3.2759500000e-01 -2.3428280000e+00  2.7852490000e+00  1.0247970000e+00 -2.2158820000e+00  2.1418000000e+00  7.6952400000e-01 -2.7175120000e+00  3.5471820000e+00
-ENERGY -1.526543608477e+02
-FORCES -1.7064000000e-03 -4.6246000000e-03  1.3183000000e-03 -1.8421000000e-03  2.1907000000e-03  1.5315000000e-03  3.4917000000e-03  2.5322000000e-03 -2.7120000000e-03  5.1937000000e-03 -6.7040000000e-04  2.0075000000e-03 -3.4000000000e-03 -1.0000000000e-03  1.1806000000e-03 -1.7368000000e-03  1.5721000000e-03 -3.3258000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3084000000e-01 -2.6790900000e-01  7.5011000000e-01 -3.3792800000e-01  8.6253800000e-01  2.4096700000e-01  2.2868680000e+00  2.1752300000e-01 -1.5043410000e+00  1.5057840000e+00  2.0015100000e-01 -9.5131600000e-01  2.8036450000e+00 -5.3384100000e-01 -1.2134350000e+00
-ENERGY -1.526580698768e+02
-FORCES  1.1566000000e-03  2.5828000000e-03  1.9303000000e-03  3.3530000000e-04  2.2606000000e-03 -7.4126000000e-03  3.0452000000e-03 -4.9166000000e-03 -1.3542000000e-03 -1.2940600000e-02 -3.3537000000e-03  6.7227000000e-03  1.1042700000e-02  1.1239000000e-03 -7.1930000000e-04 -2.6393000000e-03  2.3031000000e-03  8.3300000000e-04
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1153800000e-01 -5.5031900000e-01 -7.5407700000e-01 -6.2480900000e-01  7.2355200000e-01 -4.8136000000e-02 -1.1326770000e+00 -3.2905940000e+00  6.7029600000e-01 -6.0160100000e-01 -3.8245930000e+00  1.2610880000e+00 -1.5391450000e+00 -3.9217100000e+00  7.6404000000e-02
-ENERGY -1.526541575604e+02
-FORCES -4.4767000000e-03 -1.6179000000e-03 -2.5697000000e-03  1.6032000000e-03  4.0115000000e-03  1.4514000000e-03  2.5316000000e-03 -2.5713000000e-03  1.2670000000e-04  1.1624000000e-03 -4.9095000000e-03  1.6952000000e-03 -2.6172000000e-03  1.7044000000e-03 -2.6562000000e-03  1.7968000000e-03  3.3827000000e-03  1.9526000000e-03
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8723000000e-01  5.1085000000e-01 -1.8850200000e-01 -2.8940100000e-01 -3.1911100000e-01 -8.5477900000e-01 -2.7067350000e+00 -1.3875560000e+00  2.0024510000e+00 -2.3499770000e+00 -2.0361060000e+00  1.3955410000e+00 -3.5909050000e+00 -1.6997530000e+00  2.1948290000e+00
-ENERGY -1.526530299333e+02
-FORCES  2.0511000000e-03  1.8645000000e-03 -4.0512000000e-03 -3.3663000000e-03 -2.1266000000e-03  7.5430000000e-04  1.1138000000e-03  5.1830000000e-04  3.7716000000e-03 -9.0550000000e-04 -3.7236000000e-03 -1.9697000000e-03 -2.5881000000e-03  1.9069000000e-03  2.3388000000e-03  3.6951000000e-03  1.5604000000e-03 -8.4380000000e-04
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.6319000000e-02  4.5964500000e-01 -8.3407500000e-01  8.0436400000e-01 -5.0948800000e-01 -9.8245000000e-02  1.8099520000e+00 -1.9579580000e+00  2.7029300000e-01  2.6032460000e+00 -1.4791970000e+00  3.0076000000e-02  1.8501290000e+00 -2.7632100000e+00 -2.4564000000e-01
-ENERGY -1.526559208622e+02
-FORCES  8.1475000000e-03 -1.0885100000e-02  2.3320000000e-04  2.1953000000e-03 -3.1724000000e-03  2.3185000000e-03 -2.1950000000e-04  1.0173800000e-02 -2.2442000000e-03 -2.7557000000e-03 -9.5480000000e-04 -2.2105000000e-03 -8.4268000000e-03  4.5980000000e-04 -7.4130000000e-04  1.0591000000e-03  4.3786000000e-03  2.6441000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3012700000e-01  3.8647100000e-01  2.7885800000e-01 -2.3707700000e-01 -5.8358100000e-01 -7.2073600000e-01  8.0704800000e-01 -2.7612120000e+00 -1.8033090000e+00  5.9580400000e-01 -3.0220900000e+00 -9.0689800000e-01  1.6685000000e+00 -2.3492740000e+00 -1.7366810000e+00
-ENERGY -1.526585904286e+02
-FORCES -4.2794000000e-03 -5.0000000000e-04 -3.1869000000e-03  3.1210000000e-03 -1.9384000000e-03 -1.2352000000e-03  5.1710000000e-04  4.0124000000e-03  5.9123000000e-03  5.3387000000e-03 -1.7915000000e-03  3.8827000000e-03 -2.9050000000e-04  2.0326000000e-03 -4.6560000000e-03 -4.4068000000e-03 -1.8151000000e-03 -7.1700000000e-04
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9909500000e-01  6.1279500000e-01  2.2799200000e-01  2.5251900000e-01 -3.9693300000e-01  8.3361300000e-01  9.9566600000e-01 -8.9887000000e-01  2.1145030000e+00  1.8201330000e+00 -1.3743850000e+00  2.2163420000e+00  3.1936300000e-01 -1.5444600000e+00  2.3195870000e+00
-ENERGY -1.526524346450e+02
-FORCES  1.2625800000e-02 -6.8011000000e-03  2.1058100000e-02  2.2834000000e-03 -3.1605000000e-03  2.2184000000e-03 -9.4824000000e-03 -2.4524000000e-03 -1.2673000000e-03 -2.6669000000e-03  5.0232000000e-03 -1.7327900000e-02 -5.5467000000e-03  1.2832000000e-03  1.1809000000e-03  2.7868000000e-03  6.1076000000e-03 -5.8623000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4721200000e-01  6.7546700000e-01 -2.0271200000e-01 -3.8033300000e-01 -8.0794700000e-01 -3.4467400000e-01 -1.5227190000e+00 -3.8984900000e-01  2.3032710000e+00 -9.4710000000e-01 -7.0016000000e-02  1.6085760000e+00 -9.4282100000e-01 -8.7279200000e-01  2.8920970000e+00
-ENERGY -1.526587859164e+02
-FORCES -5.0795000000e-03 -2.8995000000e-03 -2.7039000000e-03  2.5840000000e-03 -5.0137000000e-03  6.0116000000e-03  1.9632000000e-03  4.7551000000e-03  2.9072000000e-03  1.1594800000e-02  9.6260000000e-04 -7.7530000000e-03 -9.2178000000e-03  1.2457000000e-03  3.6813000000e-03 -1.8447000000e-03  9.4980000000e-04 -2.1431000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5443600000e-01 -2.1909000000e-01  6.6328300000e-01 -4.8739900000e-01  4.8219400000e-01 -6.6795400000e-01 -2.5292890000e+00 -5.9584000000e-02  1.5762700000e+00 -2.0948730000e+00  3.8899300000e-01  2.3017310000e+00 -2.8843550000e+00  6.4617800000e-01  1.0358440000e+00
-ENERGY -1.526583310700e+02
-FORCES -1.0484500000e-02 -1.1818000000e-03  2.3367000000e-03  8.4554000000e-03  2.7907000000e-03 -1.8949000000e-03  1.5558000000e-03 -5.6310000000e-04  2.0536000000e-03 -2.5311000000e-03  5.7521000000e-03  1.3542000000e-03 -1.9250000000e-04 -3.1274000000e-03 -5.6617000000e-03  3.1970000000e-03 -3.6705000000e-03  1.8121000000e-03
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9871000000e-01  7.3358300000e-01  3.5968900000e-01 -8.9522500000e-01  3.3098700000e-01 -7.2462000000e-02  1.2825350000e+00 -6.9128600000e-01 -2.4240450000e+00  7.0362900000e-01 -4.7828300000e-01 -1.6921090000e+00  1.8505450000e+00  7.4198000000e-02 -2.5114040000e+00
-ENERGY -1.526599611001e+02
-FORCES  1.4480000000e-04  3.3503000000e-03  1.3807000000e-03 -2.8574000000e-03 -3.3117000000e-03 -2.9402000000e-03  5.4600000000e-03 -1.3586000000e-03 -5.3660000000e-04 -4.4816000000e-03  4.6146000000e-03  1.1017300000e-02  3.4044000000e-03 -1.4563000000e-03 -9.7996000000e-03 -1.6702000000e-03 -1.8383000000e-03  8.7840000000e-04
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8652800000e-01  7.0917200000e-01 -6.1523500000e-01 -6.0468900000e-01 -6.9898600000e-01 -2.4900100000e-01  2.1888420000e+00 -1.7887740000e+00 -1.5469900000e-01  2.3485840000e+00 -2.1650120000e+00  7.1084100000e-01  1.5775150000e+00 -1.0697980000e+00  5.2540000000e-03
-ENERGY -1.526617126531e+02
-FORCES -2.0557000000e-03 -5.9310000000e-04 -4.3293000000e-03 -1.2550000000e-04 -3.9227000000e-03  2.7424000000e-03  3.8689000000e-03  3.8297000000e-03  1.3737000000e-03 -6.4941000000e-03  7.8927000000e-03  3.2702000000e-03 -1.6044000000e-03  1.4449000000e-03 -2.5710000000e-03  6.4108000000e-03 -8.6514000000e-03 -4.8620000000e-04
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3338800000e-01 -3.5472500000e-01 -8.2416900000e-01 -7.6623000000e-01  3.7690000000e-02  5.7245300000e-01 -1.7612990000e+00 -1.2657470000e+00 -1.7638890000e+00 -2.2022190000e+00 -9.9258300000e-01 -2.5683790000e+00 -2.4663470000e+00 -1.5834930000e+00 -1.1998180000e+00
-ENERGY -1.526590149607e+02
-FORCES -1.0278800000e-02 -5.2536000000e-03 -7.3943000000e-03  6.0894000000e-03  3.6156000000e-03  3.9136000000e-03  1.9118000000e-03 -2.7110000000e-04 -2.6840000000e-04 -2.2270000000e-03  9.0270000000e-04  2.1895000000e-03  1.6256000000e-03 -1.4068000000e-03  4.4510000000e-03  2.8789000000e-03  2.4132000000e-03 -2.8913000000e-03
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1443200000e-01 -5.6788300000e-01 -7.4010800000e-01  1.2058200000e-01 -6.0011000000e-01  7.3590800000e-01  2.5420510000e+00 -1.2157580000e+00 -1.8032290000e+00  3.0450080000e+00 -6.9218900000e-01 -1.1794170000e+00  3.1928890000e+00 -1.5349150000e+00 -2.4283530000e+00
-ENERGY -1.526565042312e+02
-FORCES  4.1740000000e-04 -5.9665000000e-03 -2.0898000000e-03 -1.5868000000e-03  2.8591000000e-03  4.1117000000e-03 -2.4640000000e-04  2.7569000000e-03 -2.2846000000e-03  4.9857000000e-03  2.2896000000e-03  5.7090000000e-04 -7.3270000000e-04 -3.3800000000e-03 -3.0183000000e-03 -2.8372000000e-03  1.4409000000e-03  2.7101000000e-03
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5508200000e-01  4.3016400000e-01 -5.0780000000e-03 -1.4203000000e-01 -8.1057600000e-01  4.8890200000e-01 -1.5276090000e+00 -2.6382830000e+00 -1.6799990000e+00 -2.0007320000e+00 -1.9454440000e+00 -2.1408250000e+00 -1.6694310000e+00 -2.4496770000e+00 -7.5234300000e-01
-ENERGY -1.526518051497e+02
-FORCES -2.7269000000e-03 -1.8794000000e-03  1.5336000000e-03  3.1065000000e-03 -2.6609000000e-03 -4.3440000000e-04 -1.0657000000e-03  3.1150000000e-03 -1.9243000000e-03 -1.3419000000e-03  5.2725000000e-03  1.0457000000e-03  1.0403000000e-03 -3.3114000000e-03  2.0157000000e-03  9.8770000000e-04 -5.3570000000e-04 -2.2363000000e-03
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6278900000e-01  1.5512100000e-01  5.5706500000e-01 -3.4564000000e-01 -4.8160900000e-01 -7.5154300000e-01  1.3967250000e+00 -1.5733070000e+00  1.9107660000e+00  1.8181710000e+00 -2.3951190000e+00  1.6592890000e+00  1.1306610000e+00 -1.1764250000e+00  1.0813530000e+00
-ENERGY -1.526608731382e+02
-FORCES -5.6422000000e-03 -1.8850000000e-04  1.6161000000e-03  3.6127000000e-03 -9.9860000000e-04 -3.9433000000e-03  2.3468000000e-03  1.2457000000e-03  4.4847000000e-03 -2.8374000000e-03  4.5312000000e-03 -8.2361000000e-03 -2.1688000000e-03  3.0564000000e-03 -7.6660000000e-04  4.6888000000e-03 -7.6463000000e-03  6.8451000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0136500000e-01  3.9138300000e-01 -7.1532100000e-01  3.7179400000e-01  7.4689200000e-01  4.6920500000e-01  3.1354150000e+00  2.1948700000e-01  1.0581130000e+00  3.8363740000e+00 -3.0935900000e-01  6.7705000000e-01  2.7600890000e+00  6.9184700000e-01  3.1498500000e-01
-ENERGY -1.526539146376e+02
-FORCES -1.8179000000e-03  3.8731000000e-03  1.2451000000e-03  3.0481000000e-03 -1.7670000000e-03  2.9145000000e-03 -4.4050000000e-04 -2.2769000000e-03 -4.3842000000e-03  8.1920000000e-04 -2.7920000000e-03 -5.8773000000e-03 -2.2273000000e-03  2.5051000000e-03  1.7139000000e-03  6.1830000000e-04  4.5780000000e-04  4.3880000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8099100000e-01 -4.5664000000e-01  6.0840900000e-01  5.3508600000e-01  5.6496100000e-01  5.5743400000e-01  2.1886430000e+00 -1.5464180000e+00  2.4603000000e-02  1.4843920000e+00 -9.3124100000e-01 -1.7989600000e-01  2.8842430000e+00 -1.0012820000e+00  3.9229800000e-01
-ENERGY -1.526562393726e+02
-FORCES  2.9433000000e-03 -5.6423000000e-03  6.4207000000e-03  3.0787000000e-03  3.4442000000e-03 -2.9969000000e-03  1.4044000000e-03 -6.4807000000e-03 -4.6680000000e-03 -1.2820300000e-02  9.5360000000e-03 -2.2992000000e-03  9.9714000000e-03 -1.1282000000e-03  4.0552000000e-03 -4.5775000000e-03  2.7100000000e-04 -5.1190000000e-04
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0658300000e-01 -6.0606500000e-01  4.2541200000e-01  3.9037200000e-01  4.9426600000e-01  7.2079300000e-01 -1.8412940000e+00 -1.8652160000e+00  8.8312800000e-01 -2.5445690000e+00 -1.6762800000e+00  1.5043670000e+00 -2.2784350000e+00 -2.2992520000e+00  1.5049400000e-01
-ENERGY -1.526612209173e+02
-FORCES -7.4810000000e-03 -8.0798000000e-03  6.0657000000e-03  7.0934000000e-03  7.3246000000e-03 -3.1383000000e-03 -2.2895000000e-03 -1.9665000000e-03 -1.2258000000e-03 -1.6381000000e-03  1.8162000000e-03 -2.9592000000e-03  3.2027000000e-03 -1.1915000000e-03 -3.3692000000e-03  1.1126000000e-03  2.0970000000e-03  4.6268000000e-03
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5802600000e-01  7.1152600000e-01  4.4740800000e-01 -8.2518600000e-01 -9.1232000000e-02  4.7642100000e-01  1.5535640000e+00 -2.2078830000e+00 -6.4564400000e-01  1.0715380000e+00 -2.8986360000e+00 -1.1003340000e+00  8.9690000000e-01 -1.5347930000e+00 -4.6683000000e-01
-ENERGY -1.526611446478e+02
-FORCES  2.5345000000e-03  1.7830000000e-04  3.0023000000e-03 -3.8338000000e-03 -2.9825000000e-03 -1.5363000000e-03  4.3253000000e-03  4.2920000000e-04 -2.2563000000e-03 -7.8726000000e-03  8.8569000000e-03  1.4061000000e-03  6.9600000000e-05  2.8669000000e-03  1.9011000000e-03  4.7770000000e-03 -9.3489000000e-03 -2.5170000000e-03
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4577500000e-01 -3.8739100000e-01  6.8431700000e-01  5.0633800000e-01  6.7580400000e-01  4.5071300000e-01  2.3031320000e+00 -1.4911140000e+00 -2.3499000000e-02  1.5504280000e+00 -9.0662900000e-01 -1.1320000000e-01  3.0328950000e+00 -9.1101300000e-01  1.9366700000e-01
-ENERGY -1.526577043024e+02
-FORCES  4.0180000000e-04 -2.2571000000e-03  5.4759000000e-03  3.2435000000e-03  2.8906000000e-03 -3.5215000000e-03  1.2540000000e-03 -7.1373000000e-03 -3.4271000000e-03 -1.1364300000e-02  7.7506000000e-03 -1.7071000000e-03  1.0826900000e-02 -1.2244000000e-03  3.3159000000e-03 -4.3618000000e-03 -2.2400000000e-05 -1.3610000000e-04
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1266700000e-01 -5.7485700000e-01  5.6828100000e-01 -3.5655800000e-01 -5.8189400000e-01 -6.7119100000e-01 -1.5251140000e+00  1.9531340000e+00  1.0475870000e+00 -1.0410530000e+00  1.2899730000e+00  5.5551700000e-01 -1.8746440000e+00  2.5411850000e+00  3.7806700000e-01
-ENERGY -1.526601507323e+02
-FORCES -2.9045000000e-03  1.1987000000e-03  4.7964000000e-03 -2.4817000000e-03  1.3246000000e-03 -4.4018000000e-03  1.8069000000e-03  3.0093000000e-03  3.6921000000e-03  8.7058000000e-03 -9.6323000000e-03 -6.6379000000e-03 -6.6776000000e-03  7.3135000000e-03  1.9254000000e-03  1.5512000000e-03 -3.2137000000e-03  6.2590000000e-04
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6551600000e-01  6.8174700000e-01  9.2419000000e-02 -4.0503900000e-01 -6.5533900000e-01 -5.6807300000e-01  2.9910890000e+00  1.9802500000e-01  4.7295100000e-01  2.6587810000e+00 -6.3668800000e-01  1.4271100000e-01  3.4972550000e+00 -3.6071000000e-02  1.2509150000e+00
-ENERGY -1.526530170005e+02
-FORCES -3.9923000000e-03  2.9981000000e-03 -1.0928000000e-03  2.2482000000e-03 -3.3533000000e-03 -4.2130000000e-04  3.4260000000e-03  2.2151000000e-03  2.6383000000e-03 -3.7612000000e-03 -4.7127000000e-03  1.1429000000e-03  4.3963000000e-03  1.6534000000e-03  5.8590000000e-04 -2.3171000000e-03  1.1995000000e-03 -2.8531000000e-03
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9975200000e-01 -6.5218000000e-01 -3.5201000000e-02 -4.0878800000e-01 -1.3254300000e-01  8.5531100000e-01 -1.7147360000e+00  1.4803200000e+00 -1.7587890000e+00 -1.2276770000e+00  7.9736000000e-01 -1.2977340000e+00 -2.1694820000e+00  1.0173550000e+00 -2.4624240000e+00
-ENERGY -1.526610571535e+02
-FORCES  1.5905000000e-03 -1.5013000000e-03  2.5592000000e-03 -3.4860000000e-03  2.6784000000e-03  1.3221000000e-03  2.3214000000e-03 -2.0760000000e-04 -4.5028000000e-03  5.1605000000e-03 -6.3234000000e-03  3.4005000000e-03 -7.6508000000e-03  4.6907000000e-03 -5.4006000000e-03  2.0645000000e-03  6.6310000000e-04  2.6217000000e-03
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8839800000e-01  4.8645900000e-01  6.6412100000e-01  5.8780800000e-01 -5.6567200000e-01  5.0072900000e-01  1.5874910000e+00 -1.2225710000e+00  1.7105570000e+00  9.3020900000e-01 -1.3906740000e+00  2.3857990000e+00  2.2469860000e+00 -6.8300500000e-01  2.1466390000e+00
-ENERGY -1.526567923979e+02
-FORCES  1.2437900000e-02 -7.6521000000e-03  1.3786100000e-02  1.5089000000e-03 -1.9157000000e-03 -6.3480000000e-04 -7.7836000000e-03  1.9574000000e-03 -4.0098000000e-03 -4.2138000000e-03  7.4680000000e-03 -3.2755000000e-03  2.4578000000e-03  3.3278000000e-03 -5.1101000000e-03 -4.4072000000e-03 -3.1855000000e-03 -7.5580000000e-04
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4649400000e-01  6.9444000000e-01 -1.2661200000e-01 -4.7770700000e-01 -3.7148000000e-02 -8.2864200000e-01 -2.3332990000e+00 -5.7762000000e-02  1.6124540000e+00 -1.4994540000e+00  1.9824400000e-01  1.2182520000e+00 -2.7976450000e+00  7.6801000000e-01  1.7492510000e+00
-ENERGY -1.526606692897e+02
-FORCES  5.1010000000e-04  2.3130000000e-04 -4.4553000000e-03 -4.1661000000e-03 -2.9845000000e-03  4.6020000000e-04  2.5721000000e-03  1.6423000000e-03  4.9207000000e-03  8.6185000000e-03  2.4265000000e-03 -3.9398000000e-03 -1.0119400000e-02  9.1470000000e-04  4.4521000000e-03  2.5847000000e-03 -2.2303000000e-03 -1.4380000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4403600000e-01 -5.5101500000e-01 -5.6270700000e-01  5.1214000000e-01  7.9966600000e-01  1.2033000000e-01  2.3502060000e+00 -7.9709500000e-01  2.5718540000e+00  1.5250360000e+00 -1.2790500000e+00  2.5166620000e+00  2.6532020000e+00 -7.3548900000e-01  1.6659680000e+00
-ENERGY -1.526550605588e+02
-FORCES  3.1603000000e-03  2.7970000000e-03 -2.5525000000e-03 -1.4577000000e-03  1.8863000000e-03  3.7109000000e-03 -1.8518000000e-03 -4.1491000000e-03 -1.0864000000e-03 -4.1574000000e-03 -1.9012000000e-03 -4.2402000000e-03  4.7212000000e-03  1.0251000000e-03  1.2935000000e-03 -4.1450000000e-04  3.4190000000e-04  2.8747000000e-03
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3110900000e-01  7.7453400000e-01 -5.1275500000e-01 -3.4055400000e-01  1.8167800000e-01  8.7592700000e-01  2.3337420000e+00  2.9270400000e-01  3.1086860000e+00  1.6281580000e+00 -3.4333600000e-01  3.2263150000e+00  2.5680360000e+00  5.5841100000e-01  3.9979210000e+00
-ENERGY -1.526535471910e+02
-FORCES -1.2034000000e-03  5.0462000000e-03  1.5416000000e-03  5.3200000000e-04 -3.3157000000e-03  1.8067000000e-03  7.5500000000e-04 -1.8268000000e-03 -3.1214000000e-03 -1.0461000000e-03 -2.3582000000e-03  4.0231000000e-03  2.0115000000e-03  3.4274000000e-03 -3.3280000000e-04 -1.0490000000e-03 -9.7290000000e-04 -3.9172000000e-03
-
-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9102800000e-01 -7.4999300000e-01 -5.6325000000e-01 -6.8879100000e-01 -1.7280000000e-02  6.6445500000e-01 -1.9482500000e+00 -2.0883900000e-01  1.6826710000e+00 -1.4504040000e+00 -5.4286100000e-01  2.4288690000e+00 -2.2936780000e+00 -9.9221800000e-01  1.2546190000e+00
-ENERGY -1.526541050247e+02
-FORCES -1.9433100000e-02 -9.9790000000e-04  1.4386700000e-02 -1.5194000000e-03  1.3152000000e-03  3.2139000000e-03  8.1602000000e-03 -4.3570000000e-03 -4.1474000000e-03  8.1264000000e-03 -2.8628000000e-03 -6.4852000000e-03 -9.4520000000e-04  2.0765000000e-03 -7.3106000000e-03  5.6111000000e-03  4.8261000000e-03  3.4250000000e-04
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1035800000e-01 -2.9572400000e-01 -5.1750000000e-03  2.2479500000e-01  1.0096600000e-01 -9.2493500000e-01 -2.0548820000e+00 -1.9326050000e+00  3.2849300000e-01 -2.7388490000e+00 -1.4945610000e+00  8.3498800000e-01 -2.4738060000e+00 -2.1475010000e+00 -5.0490700000e-01
-ENERGY -1.526564993086e+02
-FORCES -7.3454000000e-03 -8.2212000000e-03 -1.4324000000e-03  3.3384000000e-03  8.8553000000e-03 -1.1450000000e-03 -1.4903000000e-03 -9.5420000000e-04  2.8451000000e-03 -2.7817000000e-03 -2.4809000000e-03 -1.5780000000e-04  5.2846000000e-03 -5.6300000000e-05 -4.0347000000e-03  2.9943000000e-03  2.8573000000e-03  3.9247000000e-03
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7364400000e-01 -4.3415000000e-01  6.3140900000e-01  7.3946600000e-01 -5.9887500000e-01 -1.0377900000e-01 -6.6563100000e-01  1.3952640000e+00 -2.1123000000e+00 -5.9375800000e-01  9.2341500000e-01 -1.2825870000e+00 -1.3814850000e+00  2.0155600000e+00 -1.9743960000e+00
-ENERGY -1.526588969805e+02
-FORCES -6.7840000000e-04  2.1810000000e-03 -8.8544000000e-03  3.2161000000e-03  1.9935000000e-03 -3.4227000000e-03 -4.4743000000e-03  1.8885000000e-03  2.5232000000e-03  3.9251000000e-03 -8.2847000000e-03  1.4428800000e-02 -3.7213000000e-03  5.2273000000e-03 -6.5073000000e-03  1.7328000000e-03 -3.0055000000e-03  1.8323000000e-03
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5782600000e-01 -6.1090700000e-01 -5.7742600000e-01  4.3529400000e-01 -5.5875700000e-01  6.4384900000e-01 -2.0189530000e+00  4.7306400000e-01 -2.7532330000e+00 -1.1587620000e+00  8.8446100000e-01 -2.6692390000e+00 -1.8781140000e+00 -2.5662800000e-01 -3.3565120000e+00
-ENERGY -1.526563332316e+02
-FORCES -1.5663000000e-03 -4.7360000000e-03  1.1306000000e-03  4.6481000000e-03  2.1261000000e-03  2.3649000000e-03 -2.0165000000e-03  2.0105000000e-03 -2.8092000000e-03  3.5120000000e-03  1.5312000000e-03 -3.3616000000e-03 -4.3596000000e-03 -3.3522000000e-03 -1.0283000000e-03 -2.1770000000e-04  2.4205000000e-03  3.7037000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5529000000e-01 -4.8803400000e-01  6.0803600000e-01  6.0766400000e-01  3.5116400000e-01 -6.5089200000e-01 -6.9826400000e-01 -2.3229330000e+00 -1.0087040000e+00 -1.5888810000e+00 -2.6733700000e+00 -1.0237540000e+00 -7.4710600000e-01 -1.5685030000e+00 -4.2160800000e-01
-ENERGY -1.526574009485e+02
-FORCES  3.4127000000e-03 -6.8789000000e-03 -8.1023000000e-03 -5.8234000000e-03 -2.8750000000e-04 -4.6514000000e-03 -1.8568000000e-03 -5.6960000000e-04  4.6812000000e-03  1.6124000000e-03  1.4458300000e-02  4.6531000000e-03  2.6304000000e-03  3.6181000000e-03  1.3308000000e-03  2.4600000000e-05 -1.0340500000e-02  2.0887000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8104700000e-01 -5.8315600000e-01 -3.3516600000e-01  7.9067000000e-01 -5.3924500000e-01  1.6997000000e-02  1.1304020000e+00  1.0212010000e+00 -3.1240010000e+00  1.5274760000e+00  1.2536580000e+00 -2.2846400000e+00  3.8768200000e-01  4.6375300000e-01 -2.8919430000e+00
-ENERGY -1.526561182208e+02
-FORCES -5.4250000000e-04 -5.6418000000e-03  1.4417000000e-03  3.5144000000e-03  3.0310000000e-03  2.5120000000e-04 -3.3782000000e-03  3.3524000000e-03 -1.2230000000e-03 -2.9417000000e-03 -2.8010000000e-04  6.9485000000e-03  7.8210000000e-04 -1.0106000000e-03 -4.4687000000e-03  2.5658000000e-03  5.4920000000e-04 -2.9496000000e-03
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2792200000e-01  1.9456500000e-01  1.3167100000e-01  1.0271500000e-01 -9.0004300000e-01  3.0919900000e-01  1.2229950000e+00 -8.6801200000e-01 -2.3035600000e+00  6.3576700000e-01 -4.4154600000e-01 -1.6794430000e+00  1.6623370000e+00 -1.5483770000e+00 -1.7933510000e+00
-ENERGY -1.526576504897e+02
-FORCES -1.1811000000e-03 -3.4068000000e-03  1.1540000000e-04  5.0968000000e-03 -1.7739000000e-03 -1.1704000000e-03  3.9300000000e-04  4.3437000000e-03 -4.5627000000e-03 -4.8958000000e-03  5.1005000000e-03  1.2901700000e-02  2.8321000000e-03 -5.7180000000e-03 -6.8700000000e-03 -2.2450000000e-03  1.4545000000e-03 -4.1400000000e-04
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9589500000e-01 -3.2920800000e-01 -8.4870500000e-01 -8.0628100000e-01  2.2227500000e-01  4.6555100000e-01  1.7062680000e+00 -1.8334420000e+00  1.5463780000e+00  1.3267380000e+00 -1.2664760000e+00  8.7500800000e-01  2.2184290000e+00 -1.2423290000e+00  2.0981990000e+00
-ENERGY -1.526612584462e+02
-FORCES -5.6034000000e-03 -4.3670000000e-04  4.1590000000e-04  1.4653000000e-03  1.1241000000e-03  4.5876000000e-03  3.3002000000e-03 -3.8940000000e-04 -3.3158000000e-03 -3.6158000000e-03  8.4138000000e-03 -3.9175000000e-03  6.2865000000e-03 -6.9345000000e-03  3.6118000000e-03 -1.8329000000e-03 -1.7774000000e-03 -1.3820000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1905900000e-01 -4.1683500000e-01  6.8779200000e-01 -4.8723500000e-01  7.9383500000e-01 -2.2059100000e-01  2.8703210000e+00 -2.3050570000e+00 -6.8416300000e-01  2.4833280000e+00 -1.8571700000e+00 -1.4364030000e+00  2.1697240000e+00 -2.3285710000e+00 -3.2363000000e-02
-ENERGY -1.526562195899e+02
-FORCES -4.7085000000e-03  3.1187000000e-03  2.0959000000e-03  2.6825000000e-03  1.1859000000e-03 -3.0582000000e-03  1.8344000000e-03 -3.4614000000e-03  1.0251000000e-03 -5.7753000000e-03  3.8332000000e-03 -1.9990000000e-04  2.7248000000e-03 -2.8248000000e-03  1.7908000000e-03  3.2422000000e-03 -1.8515000000e-03 -1.6536000000e-03
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0878000000e-01  4.0180700000e-01  7.0422000000e-01  6.4864600000e-01  6.6318300000e-01 -2.3596200000e-01  1.8729380000e+00  2.1022810000e+00 -8.2419000000e-01  2.5711490000e+00  2.0188540000e+00 -1.4736310000e+00  1.2597100000e+00  2.7277810000e+00 -1.2101070000e+00
-ENERGY -1.526614550607e+02
-FORCES  6.2805000000e-03  7.2940000000e-03  8.9300000000e-05  1.5166000000e-03 -4.7980000000e-04 -2.7056000000e-03 -8.5414000000e-03 -6.0953000000e-03  2.3867000000e-03  1.7100000000e-03  1.7088000000e-03 -4.8083000000e-03 -3.6344000000e-03  1.5631000000e-03  2.6961000000e-03  2.6689000000e-03 -3.9908000000e-03  2.3418000000e-03
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0769800000e-01 -2.3446100000e-01 -7.0140100000e-01  5.5570100000e-01  3.7317100000e-01  6.8423100000e-01  1.2992630000e+00 -5.6388600000e-01 -2.3137700000e+00  2.2229620000e+00 -8.1023400000e-01 -2.3619780000e+00  1.2919740000e+00  3.7635000000e-01 -2.4930300000e+00
-ENERGY -1.526587768843e+02
-FORCES  8.0173000000e-03 -5.0897000000e-03 -1.0185700000e-02 -3.8158000000e-03  7.4293000000e-03  7.8556000000e-03 -2.4810000000e-04 -1.2428000000e-03 -3.8857000000e-03  5.4100000000e-04  2.3304000000e-03  1.6480000000e-04 -4.9741000000e-03  2.4537000000e-03  1.2472000000e-03  4.7970000000e-04 -5.8809000000e-03  4.8038000000e-03
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3878500000e-01 -6.5489800000e-01 -2.8159300000e-01  8.4460600000e-01 -4.4599400000e-01 -6.2947000000e-02 -8.0430400000e-01  2.3232670000e+00 -1.0202810000e+00 -1.9531500000e-01  2.9746240000e+00 -1.3682740000e+00 -2.4571900000e-01  1.6865760000e+00 -5.7436800000e-01
-ENERGY -1.526593602492e+02
-FORCES -4.5304000000e-03  2.0428000000e-03 -5.4142000000e-03  4.7200000000e-03  1.3425000000e-03  2.1520000000e-03 -4.2133000000e-03  2.4442000000e-03 -5.0840000000e-04  5.4091000000e-03 -1.1344200000e-02  5.3697000000e-03 -1.8300000000e-04 -3.8100000000e-03  1.7869000000e-03 -1.2025000000e-03  9.3246000000e-03 -3.3860000000e-03
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0127800000e-01  5.3849400000e-01  7.8485600000e-01 -7.6343400000e-01 -5.7738800000e-01  4.9500000000e-03 -8.6087100000e-01  1.1291830000e+00 -2.2273890000e+00 -1.5354580000e+00  1.8060320000e+00 -2.2825320000e+00 -6.4636900000e-01  1.0794710000e+00 -1.2958580000e+00
-ENERGY -1.526566137596e+02
-FORCES -3.7708000000e-03 -2.4805000000e-03 -3.0607000000e-03 -1.4088000000e-03 -6.1880000000e-04 -7.1866000000e-03  3.5726000000e-03  5.4280000000e-03  2.3120000000e-04  6.3483000000e-03 -4.7322000000e-03  1.2349700000e-02  2.6222000000e-03 -3.0314000000e-03  3.4868000000e-03 -7.3635000000e-03  5.4349000000e-03 -5.8204000000e-03
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2107000000e-02 -5.6689800000e-01 -7.7060200000e-01 -6.6748200000e-01  6.6615000000e-01 -1.6414700000e-01 -2.8809560000e+00 -1.3359300000e+00  1.8335870000e+00 -2.3449800000e+00 -1.9681100000e+00  1.3547230000e+00 -2.2499330000e+00 -7.2145100000e-01  2.2083640000e+00
-ENERGY -1.526565785951e+02
-FORCES -2.4651000000e-03  1.3688000000e-03 -5.2841000000e-03  8.6000000000e-06  1.9554000000e-03  3.6224000000e-03  3.1591000000e-03 -2.9641000000e-03  1.2867000000e-03  6.8172000000e-03 -6.8200000000e-05 -3.2900000000e-04 -3.3768000000e-03  1.4993000000e-03  1.4485000000e-03 -4.1430000000e-03 -1.7913000000e-03 -7.4440000000e-04
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9309500000e-01  6.7244100000e-01  5.5635500000e-01 -5.3162900000e-01  4.8888700000e-01 -6.2816600000e-01  1.5559840000e+00  1.6562220000e+00  1.6944070000e+00  2.1193620000e+00  1.7457890000e+00  9.2576300000e-01  2.1293920000e+00  1.2975530000e+00  2.3717500000e+00
-ENERGY -1.526600975093e+02
-FORCES  2.2582000000e-03  6.7397000000e-03  7.0666000000e-03 -2.2415000000e-03 -3.6256000000e-03 -1.0165200000e-02  2.9520000000e-03 -4.0750000000e-04  2.4929000000e-03  4.4229000000e-03 -3.5276000000e-03  1.1968000000e-03 -5.8018000000e-03 -1.9104000000e-03  3.0603000000e-03 -1.5898000000e-03  2.7314000000e-03 -3.6514000000e-03
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5537800000e-01  6.6101100000e-01  2.2310800000e-01  5.1990500000e-01  4.0271000000e-01 -6.9552500000e-01 -1.3785320000e+00  2.1763680000e+00  6.3998800000e-01 -9.1785700000e-01  2.8765890000e+00  1.1022670000e+00 -2.1264700000e+00  1.9702370000e+00  1.2006400000e+00
-ENERGY -1.526583184856e+02
-FORCES -8.1513000000e-03  1.7032100000e-02  1.8747000000e-03  2.6720000000e-04 -8.6358000000e-03 -6.3050000000e-04 -6.2320000000e-04 -8.0270000000e-04  2.0461000000e-03  6.9036000000e-03 -4.6735000000e-03  1.6481000000e-03 -3.8263000000e-03 -2.6882000000e-03 -2.0605000000e-03  5.4300000000e-03 -2.3190000000e-04 -2.8778000000e-03
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5825900000e-01  3.8183600000e-01  1.8391200000e-01  6.0995100000e-01  7.3403200000e-01  7.3409000000e-02  9.9837400000e-01  2.9447680000e+00 -1.7804660000e+00  1.7122510000e+00  3.3672260000e+00 -2.2581060000e+00  3.7920400000e-01  3.6519430000e+00 -1.5994570000e+00
-ENERGY -1.526561129778e+02
-FORCES -1.4100000000e-05  6.1611000000e-03 -1.0307000000e-03  2.7718000000e-03 -1.6446000000e-03 -2.2530000000e-04 -2.8613000000e-03 -4.7878000000e-03  2.4326000000e-03  7.6560000000e-04  5.1575000000e-03 -3.1181000000e-03 -3.2415000000e-03 -1.5528000000e-03  2.1232000000e-03  2.5795000000e-03 -3.3334000000e-03 -1.8180000000e-04
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5667600000e-01  2.1848900000e-01 -6.6126400000e-01 -4.4581200000e-01  8.2807100000e-01  1.7827400000e-01  2.1093580000e+00 -1.6771300000e-01 -1.6750100000e+00  2.6265810000e+00 -7.8994700000e-01 -1.1636020000e+00  1.7836860000e+00 -6.7841500000e-01 -2.4161930000e+00
-ENERGY -1.526610286455e+02
-FORCES  1.0546800000e-02  1.3549000000e-03 -8.4317000000e-03 -9.5489000000e-03  5.4280000000e-04  6.1631000000e-03  2.9380000000e-03 -1.9629000000e-03 -2.2504000000e-03 -2.5227000000e-03 -5.5036000000e-03  3.7019000000e-03 -2.5773000000e-03  2.9208000000e-03 -3.6390000000e-03  1.1642000000e-03  2.6481000000e-03  4.4560000000e-03
-
-JOB 180
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1359600000e-01 -2.4928500000e-01  6.9107800000e-01  4.1603100000e-01  7.9845200000e-01  3.2500000000e-01 -1.7785280000e+00  1.4080770000e+00 -1.8497820000e+00 -1.2885630000e+00  6.5740700000e-01 -1.5141350000e+00 -2.2948730000e+00  1.0534470000e+00 -2.5735630000e+00
-ENERGY -1.526612186253e+02
-FORCES  3.2390000000e-04  4.2710000000e-03  5.4951000000e-03  2.4607000000e-03  1.2239000000e-03 -4.0665000000e-03 -1.8870000000e-03 -4.5169000000e-03 -8.7090000000e-04  4.3541000000e-03 -5.7514000000e-03  2.0907000000e-03 -7.5073000000e-03  4.7771000000e-03 -5.8608000000e-03  2.2557000000e-03 -3.6000000000e-06  3.2124000000e-03
-
-JOB 181
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1587800000e-01  3.9187800000e-01 -6.1915900000e-01 -4.3783200000e-01 -6.8861800000e-01 -5.0033900000e-01  1.6921830000e+00  8.6295100000e-01 -2.4117660000e+00  2.5173760000e+00  1.3252180000e+00 -2.5587290000e+00  1.0221640000e+00  1.5442460000e+00 -2.4678300000e+00
-ENERGY -1.526596338243e+02
-FORCES  4.8108000000e-03 -2.0608000000e-03 -7.0553000000e-03 -7.2847000000e-03  1.2867000000e-03  5.1718000000e-03  5.8360000000e-04  2.5751000000e-03  1.9837000000e-03  3.1081000000e-03  4.7129000000e-03 -3.3659000000e-03 -4.3783000000e-03 -1.6576000000e-03  1.0950000000e-04  3.1604000000e-03 -4.8563000000e-03  3.1562000000e-03
-
-JOB 182
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6871300000e-01  3.8792300000e-01  1.0528600000e-01 -9.4950000000e-03 -7.6834600000e-01  5.7077700000e-01  1.9653780000e+00  1.9639210000e+00  1.1263600000e-01  2.1879860000e+00  2.4619180000e+00  8.9919600000e-01  1.2984790000e+00  1.3417950000e+00  4.0321500000e-01
-ENERGY -1.526596565585e+02
-FORCES -2.7330000000e-03 -1.3660000000e-03 -2.5580000000e-04  5.3131000000e-03 -1.7959000000e-03  7.5810000000e-04  5.5300000000e-05  4.9623000000e-03 -2.2330000000e-03 -7.0151000000e-03 -7.5157000000e-03  9.2580000000e-04 -2.2769000000e-03 -2.9181000000e-03 -2.0122000000e-03  6.6565000000e-03  8.6334000000e-03  2.8170000000e-03
-
-JOB 183
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1473500000e-01  7.4069700000e-01  5.6700000000e-01 -2.2240100000e-01  3.9845300000e-01 -8.4143000000e-01 -8.7483300000e-01  1.2961600000e+00 -2.3433850000e+00 -9.0768000000e-01  7.1052500000e-01 -3.0998130000e+00 -1.5474190000e+00  1.9539900000e+00 -2.5197930000e+00
-ENERGY -1.526608156321e+02
-FORCES -3.2265000000e-03  8.4939000000e-03 -8.1770000000e-03 -9.2730000000e-04 -1.9051000000e-03 -1.3535000000e-03  4.1116000000e-03 -6.2217000000e-03  5.6380000000e-03 -2.9241000000e-03 -3.2740000000e-04  6.9120000000e-04 -2.7840000000e-04  3.0951000000e-03  4.1562000000e-03  3.2446000000e-03 -3.1348000000e-03 -9.5490000000e-04
-
-JOB 184
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3133200000e-01 -5.3763700000e-01  3.0386100000e-01  6.3437400000e-01 -6.2945600000e-01 -3.4291000000e-01  2.2576540000e+00 -1.2972220000e+00 -5.7638500000e-01  2.3066780000e+00 -1.6318570000e+00 -1.4718450000e+00  3.0174510000e+00 -7.2095200000e-01 -4.9360800000e-01
-ENERGY -1.526592584477e+02
-FORCES  1.2435800000e-02 -8.4885000000e-03 -1.9052000000e-03  3.5567000000e-03  3.2400000000e-05 -1.6935000000e-03 -1.0063000000e-02  2.9146000000e-03 -8.6760000000e-04 -1.1298000000e-03  6.9768000000e-03  1.4367000000e-03 -2.0851000000e-03  2.8151000000e-03  4.9002000000e-03 -2.7147000000e-03 -4.2504000000e-03 -1.8706000000e-03
-
-JOB 185
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9763200000e-01  7.0747600000e-01  5.0754100000e-01  5.9068800000e-01 -7.4343700000e-01  1.2092000000e-01  1.1983560000e+00  2.1670430000e+00  1.0356610000e+00  6.6329800000e-01  2.9269900000e+00  1.2646270000e+00  1.8561160000e+00  2.5101220000e+00  4.3077900000e-01
-ENERGY -1.526604051922e+02
-FORCES  7.9057000000e-03  1.1474300000e-02  7.4096000000e-03 -4.4560000000e-03 -8.3036000000e-03 -3.2875000000e-03 -5.0270000000e-04  3.2301000000e-03 -2.2660000000e-04 -3.0253000000e-03 -2.2609000000e-03 -5.7185000000e-03  3.3757000000e-03 -3.3998000000e-03 -1.9327000000e-03 -3.2974000000e-03 -7.4010000000e-04  3.7556000000e-03
-
-JOB 186
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1509200000e-01 -7.2562300000e-01  4.6626500000e-01 -8.5344800000e-01 -3.4239800000e-01 -2.6574700000e-01  1.6805940000e+00  5.9541000000e-01 -2.1421510000e+00  2.2838340000e+00 -1.3985300000e-01 -2.2504150000e+00  1.0814980000e+00  3.1447100000e-01 -1.4504940000e+00
-ENERGY -1.526600223093e+02
-FORCES -1.1695000000e-03 -2.4557000000e-03  4.0640000000e-04 -1.6727000000e-03  3.4928000000e-03 -4.4500000000e-03  5.4667000000e-03  1.1704000000e-03  1.1342000000e-03 -7.0806000000e-03 -3.7164000000e-03  1.0240600000e-02 -2.5394000000e-03  1.5340000000e-03  1.6937000000e-03  6.9955000000e-03 -2.5100000000e-05 -9.0249000000e-03
-
-JOB 187
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9045100000e-01 -5.2291900000e-01 -4.0751000000e-01 -5.9237700000e-01 -6.4455600000e-01  3.8712800000e-01 -7.4888400000e-01  2.3465200000e+00 -1.5107380000e+00 -6.0527700000e-01  2.1749600000e+00 -2.4414240000e+00 -5.2655200000e-01  1.5223460000e+00 -1.0776820000e+00
-ENERGY -1.526611003470e+02
-FORCES -2.7270000000e-04 -3.7420000000e-03  9.3390000000e-04 -4.2169000000e-03  2.4653000000e-03  1.3617000000e-03  3.8426000000e-03  2.2584000000e-03 -2.0983000000e-03  2.5530000000e-03 -8.8725000000e-03  3.4524000000e-03  9.4300000000e-05 -3.2690000000e-04  3.1115000000e-03 -2.0003000000e-03  8.2178000000e-03 -6.7611000000e-03
-
-JOB 188
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1154600000e-01  5.0701800000e-01  2.3626000000e-02 -1.8767200000e-01 -7.7793800000e-01  5.2518900000e-01  8.8280000000e-01 -2.3957860000e+00  1.4882870000e+00  3.1872100000e-01 -3.1492470000e+00  1.6624790000e+00  1.5575830000e+00 -2.7323870000e+00  8.9871000000e-01
-ENERGY -1.526596684025e+02
-FORCES -5.3790000000e-04 -4.6381000000e-03  4.9245000000e-03  2.5552000000e-03 -2.8616000000e-03  6.9150000000e-04 -4.3078000000e-03  7.1053000000e-03 -5.5962000000e-03  4.2048000000e-03 -4.5612000000e-03 -1.8699000000e-03  1.7152000000e-03  4.5137000000e-03 -1.5544000000e-03 -3.6295000000e-03  4.4180000000e-04  3.4045000000e-03
-
-JOB 189
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8466600000e-01 -8.7650600000e-01 -1.4320000000e-03  7.7751700000e-01 -7.8239000000e-02 -5.5279200000e-01 -2.1259810000e+00 -1.6390290000e+00 -8.5010000000e-02 -2.8175340000e+00 -1.6685560000e+00  5.7613700000e-01 -2.3596170000e+00 -8.9776600000e-01 -6.4373600000e-01
-ENERGY -1.526600365957e+02
-FORCES -5.8356000000e-03 -8.8653000000e-03  1.5077000000e-03  5.9945000000e-03  6.9380000000e-03 -3.4887000000e-03 -4.1649000000e-03 -1.4473000000e-03  1.2185000000e-03  2.4980000000e-04  7.4606000000e-03  1.6782000000e-03  2.2158000000e-03  8.7670000000e-04 -3.6594000000e-03  1.5404000000e-03 -4.9628000000e-03  2.7438000000e-03
-
-JOB 190
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5883200000e-01  8.0993100000e-01  2.2297300000e-01  4.7686600000e-01  2.0773800000e-01 -8.0353900000e-01  1.7021610000e+00  3.8387000000e-01 -1.9803910000e+00  2.2135600000e+00  1.0546810000e+00 -2.4328450000e+00  1.2349890000e+00 -7.3834000000e-02 -2.6793100000e+00
-ENERGY -1.526570910366e+02
-FORCES  1.1030800000e-02  5.8583000000e-03 -1.0584500000e-02  2.0473000000e-03 -1.7353000000e-03 -1.4959000000e-03 -7.9054000000e-03 -5.0863000000e-03  7.4820000000e-04 -3.0980000000e-03  1.3348000000e-03  4.3315000000e-03 -2.6803000000e-03 -4.3206000000e-03  7.9430000000e-04  6.0560000000e-04  3.9491000000e-03  6.2064000000e-03
-
-JOB 191
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4832100000e-01 -7.9181600000e-01 -2.9710000000e-01 -6.4260700000e-01 -3.1266700000e-01  6.3681100000e-01 -9.2513500000e-01 -3.4158620000e+00  7.9078500000e-01 -1.0326620000e+00 -2.9158520000e+00  1.5998960000e+00 -1.7237910000e+00 -3.9392590000e+00  7.2418200000e-01
-ENERGY -1.526556841012e+02
-FORCES -1.2112000000e-03 -6.4399000000e-03  2.0250000000e-04 -6.5820000000e-04  4.9549000000e-03  1.1904000000e-03  2.2565000000e-03  2.0114000000e-03 -7.6040000000e-04 -4.4952000000e-03 -2.4250000000e-03  3.1948000000e-03  5.9410000000e-04 -4.3780000000e-04 -4.4727000000e-03  3.5139000000e-03  2.3365000000e-03  6.4540000000e-04
-
-JOB 192
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9264600000e-01 -8.1401000000e-01  1.0449600000e-01  5.6263900000e-01 -1.5569100000e-01 -7.5857100000e-01  8.6052300000e-01 -3.5931090000e+00 -9.4956300000e-01  1.6794240000e+00 -4.0755210000e+00 -1.0631990000e+00  8.3435200000e-01 -2.9869560000e+00 -1.6899180000e+00
-ENERGY -1.526545800923e+02
-FORCES  6.4890000000e-04 -5.2312000000e-03 -1.4326000000e-03  1.3009000000e-03  4.7695000000e-03 -1.1270000000e-03 -2.2957000000e-03  7.0630000000e-04  1.9559000000e-03  4.2782000000e-03 -1.2581000000e-03 -3.5159000000e-03 -3.5975000000e-03  2.1024000000e-03  1.6340000000e-04 -3.3490000000e-04 -1.0888000000e-03  3.9561000000e-03
-
-JOB 193
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1427000000e-01  7.2822800000e-01  9.2669000000e-02  2.8197000000e-02 -4.0213800000e-01  8.6817200000e-01  1.1422070000e+00 -3.1996690000e+00 -2.3709900000e-01  1.8061910000e+00 -2.5979130000e+00 -5.7362400000e-01  1.6418370000e+00 -3.9390520000e+00  1.0918700000e-01
-ENERGY -1.526556952476e+02
-FORCES -3.2493000000e-03 -2.0900000000e-05  4.0423000000e-03  2.4022000000e-03 -3.0217000000e-03 -2.3500000000e-04  2.4500000000e-04  3.6974000000e-03 -3.1032000000e-03  4.8250000000e-03 -3.9000000000e-06 -1.7748000000e-03 -1.9423000000e-03 -3.9319000000e-03  2.2417000000e-03 -2.2805000000e-03  3.2810000000e-03 -1.1709000000e-03
-
-JOB 194
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0536300000e-01 -5.5601000000e-01  5.9303700000e-01 -5.1169100000e-01 -6.1386700000e-01 -5.2685100000e-01  2.4729150000e+00 -2.3836850000e+00 -8.0600500000e-01  2.7974320000e+00 -2.0055490000e+00 -1.6232770000e+00  2.4545780000e+00 -1.6492550000e+00 -1.9240300000e-01
-ENERGY -1.526548821294e+02
-FORCES -1.6426000000e-03 -6.3516000000e-03 -2.2680000000e-04  7.5940000000e-04  2.9242000000e-03 -2.5976000000e-03  1.4857000000e-03  3.6358000000e-03  2.2678000000e-03  2.2254000000e-03  5.8250000000e-03 -2.2570000000e-03 -1.0953000000e-03 -2.3273000000e-03  3.3028000000e-03 -1.7325000000e-03 -3.7062000000e-03 -4.8920000000e-04
-
-JOB 195
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5201800000e-01  5.5222700000e-01 -5.5367200000e-01 -5.7457200000e-01 -2.7335900000e-01  7.1510400000e-01  1.1445640000e+00  1.9088490000e+00  1.5118500000e+00  9.9407100000e-01  1.0665900000e+00  1.0826830000e+00  4.0356500000e-01  2.4514290000e+00  1.2421130000e+00
-ENERGY -1.526561213595e+02
-FORCES -1.9503000000e-03  7.0341000000e-03  2.5475000000e-03  2.3617000000e-03 -2.0861000000e-03  4.2068000000e-03  4.8777000000e-03  4.0538000000e-03 -2.8175000000e-03 -8.1389000000e-03 -1.1131300000e-02 -1.2425100000e-02  1.8523000000e-03  3.2420000000e-03  7.8211000000e-03  9.9740000000e-04 -1.1126000000e-03  6.6720000000e-04
-
-JOB 196
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6335300000e-01 -5.4019000000e-01 -7.7313800000e-01  7.9777500000e-01  5.1878300000e-01  1.0320700000e-01  2.5012170000e+00 -1.6800540000e+00 -2.0410830000e+00  3.2858270000e+00 -1.9282990000e+00 -2.5299520000e+00  2.8350000000e+00 -1.3007210000e+00 -1.2281090000e+00
-ENERGY -1.526561031474e+02
-FORCES  3.0600000000e-03 -3.3790000000e-04 -4.2818000000e-03 -1.2356000000e-03  3.2251000000e-03  5.1595000000e-03 -2.3288000000e-03 -2.5603000000e-03  1.3400000000e-04  6.1087000000e-03 -1.0097000000e-03  2.0810000000e-04 -3.0649000000e-03  1.1420000000e-03  2.4566000000e-03 -2.5395000000e-03 -4.5920000000e-04 -3.6764000000e-03
-
-JOB 197
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5948900000e-01 -4.3260900000e-01  3.9020200000e-01  2.2291500000e-01  6.9660400000e-01  6.1748100000e-01 -9.0041000000e-02 -2.1553680000e+00  2.7474850000e+00 -7.7625100000e-01 -2.2263010000e+00  3.4110490000e+00 -4.6330900000e-01 -2.5720160000e+00  1.9707560000e+00
-ENERGY -1.526545018098e+02
-FORCES -1.0272000000e-03  9.3640000000e-04  6.7903000000e-03  1.8457000000e-03  4.8170000000e-04 -3.0637000000e-03 -1.1403000000e-03 -1.5850000000e-03 -3.5820000000e-03 -2.7933000000e-03 -3.9509000000e-03 -1.4900000000e-04  2.8538000000e-03  1.0474000000e-03 -3.3621000000e-03  2.6120000000e-04  3.0704000000e-03  3.3666000000e-03
-
-JOB 198
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3946100000e-01 -1.7455700000e-01 -6.9054400000e-01 -5.0986900000e-01  7.4123300000e-01 -3.2686300000e-01 -1.9750000000e-02 -2.4881960000e+00 -2.5578630000e+00  7.9984700000e-01 -2.2525230000e+00 -2.9925470000e+00  2.4959300000e-01 -3.0253530000e+00 -1.8127800000e+00
-ENERGY -1.526545860025e+02
-FORCES -9.5060000000e-04  1.3027000000e-03 -6.0638000000e-03 -6.3460000000e-04  1.3670000000e-03  3.8612000000e-03  2.3128000000e-03 -2.3434000000e-03  1.7614000000e-03  3.1116000000e-03 -3.1067000000e-03  1.6163000000e-03 -3.4415000000e-03  3.8970000000e-04  2.7242000000e-03 -3.9770000000e-04  2.3908000000e-03 -3.8993000000e-03
-
-JOB 199
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6237700000e-01  9.4228800000e-01  4.4249000000e-02  5.6242500000e-01 -1.1087000000e-01 -7.6656300000e-01 -2.1246670000e+00  5.2381700000e-01 -2.4355830000e+00 -1.3010130000e+00  9.7639400000e-01 -2.6172430000e+00 -2.7981600000e+00  1.0916520000e+00 -2.8100200000e+00
-ENERGY -1.526515356157e+02
-FORCES -8.9630000000e-04  2.6526000000e-03 -3.4872000000e-03  1.8425000000e-03 -3.3252000000e-03 -4.6090000000e-04 -2.1032000000e-03  1.3990000000e-03  2.6343000000e-03  5.9160000000e-04  3.4074000000e-03 -2.1227000000e-03 -2.4595000000e-03 -1.6533000000e-03  1.1617000000e-03  3.0248000000e-03 -2.4806000000e-03  2.2747000000e-03
-
-JOB 200
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7779800000e-01  5.8165400000e-01 -5.9128600000e-01 -6.1602500000e-01 -1.7870000000e-01  7.1050100000e-01  1.4691390000e+00 -2.3545430000e+00 -6.7598500000e-01  9.7932500000e-01 -1.6013020000e+00 -3.4592200000e-01  1.9685470000e+00 -2.6656060000e+00  7.9040000000e-02
-ENERGY -1.526610296083e+02
-FORCES -3.3089000000e-03  1.1993000000e-03 -2.5112000000e-03  1.1333000000e-03 -2.0829000000e-03  4.2284000000e-03  3.5648000000e-03  1.7300000000e-04 -3.7905000000e-03 -3.5351000000e-03  8.8353000000e-03  3.5410000000e-03  4.5850000000e-03 -9.7350000000e-03  1.5610000000e-04 -2.4392000000e-03  1.6103000000e-03 -1.6238000000e-03
-
-JOB 201
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9369600000e-01  6.5482100000e-01  5.7658100000e-01 -7.8334200000e-01 -2.9092800000e-01  4.6687000000e-01  2.1884480000e+00 -1.6860690000e+00 -9.0911000000e-02  1.3379510000e+00 -1.2474990000e+00 -6.7626000000e-02  2.7542210000e+00 -1.1417510000e+00  4.5667600000e-01
-ENERGY -1.526589540787e+02
-FORCES  7.9710000000e-04  6.6120000000e-04  3.2321000000e-03 -9.1490000000e-04 -5.1802000000e-03 -2.4929000000e-03  5.1355000000e-03  1.3645000000e-03 -2.0096000000e-03 -1.0784100000e-02  9.9146000000e-03  8.2460000000e-04  8.0649000000e-03 -6.1307000000e-03  1.6735000000e-03 -2.2986000000e-03 -6.2940000000e-04 -1.2277000000e-03
-
-JOB 202
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1568300000e-01  5.2427800000e-01 -7.7126200000e-01 -6.5108700000e-01 -7.0164700000e-01  2.9640000000e-03  1.9555120000e+00 -2.1243880000e+00  8.0290200000e-01  2.8460270000e+00 -1.7787050000e+00  8.6386400000e-01  1.4306150000e+00 -1.3833560000e+00  5.0026900000e-01
-ENERGY -1.526610072853e+02
-FORCES -4.5462000000e-03  9.3960000000e-04 -3.8875000000e-03 -6.1800000000e-05 -2.4287000000e-03  3.7620000000e-03  5.3098000000e-03  3.1036000000e-03 -3.3260000000e-04 -1.1013000000e-03  8.3934000000e-03 -2.0074000000e-03 -2.6704000000e-03 -1.0691000000e-03 -4.2330000000e-04  3.0698000000e-03 -8.9388000000e-03  2.8888000000e-03
-
-JOB 203
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4812900000e-01  2.8578700000e-01  5.2427200000e-01  5.7100300000e-01 -4.5054600000e-01  6.2225100000e-01  1.7238110000e+00 -1.2153010000e+00  1.9433340000e+00  2.2514860000e+00 -1.9493590000e+00  1.6287700000e+00  2.3569450000e+00 -6.1771300000e-01  2.3411550000e+00
-ENERGY -1.526620841911e+02
-FORCES  4.4010000000e-03 -4.5607000000e-03  9.4957000000e-03  2.4256000000e-03 -5.5840000000e-04 -1.2474000000e-03 -5.9085000000e-03  4.1996000000e-03 -7.8205000000e-03  4.0895000000e-03  2.1130000000e-04 -1.5000000000e-04 -2.1895000000e-03  4.3223000000e-03  1.6600000000e-03 -2.8181000000e-03 -3.6141000000e-03 -1.9378000000e-03
-
-JOB 204
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5719400000e-01  7.8904900000e-01  5.1857800000e-01 -2.0516700000e-01  3.2571900000e-01 -8.7638200000e-01 -7.1181000000e-01  1.3839620000e+00 -2.0996440000e+00 -5.6003400000e-01  7.5567500000e-01 -2.8056550000e+00  7.2916000000e-02  1.9320480000e+00 -2.0933230000e+00
-ENERGY -1.526540862580e+02
-FORCES -8.6684000000e-03  1.4657100000e-02 -1.5750500000e-02  7.1540000000e-04 -1.5190000000e-03 -1.7343000000e-03  6.5826000000e-03 -6.4308000000e-03  1.2753000000e-03  4.6992000000e-03 -3.0750000000e-03  5.3934000000e-03  6.9110000000e-04  1.6399000000e-03  8.2206000000e-03 -4.0199000000e-03 -5.2722000000e-03  2.5954000000e-03
-
-JOB 205
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1632300000e-01  2.8512700000e-01 -4.1055100000e-01  2.6338400000e-01 -3.1441500000e-01  8.6487200000e-01 -4.5058800000e-01  2.8970730000e+00 -2.2195870000e+00 -5.4524300000e-01  3.4111460000e+00 -3.0214600000e+00  2.9046800000e-01  2.3164970000e+00 -2.3927910000e+00
-ENERGY -1.526522134819e+02
-FORCES  4.1089000000e-03  4.7110000000e-04  2.7002000000e-03 -3.1904000000e-03 -9.8560000000e-04  3.7190000000e-04 -1.2452000000e-03  1.1497000000e-03 -3.6673000000e-03  2.0076000000e-03 -8.1540000000e-04 -4.1956000000e-03  2.4680000000e-04 -2.1013000000e-03  3.5606000000e-03 -1.9277000000e-03  2.2814000000e-03  1.2303000000e-03
-
-JOB 206
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4048000000e-01 -4.4233100000e-01  7.2564000000e-01 -5.4213200000e-01 -6.7909400000e-01 -4.0144100000e-01 -1.0658200000e+00 -2.0215040000e+00 -1.6764070000e+00 -1.7633400000e+00 -2.6397380000e+00 -1.4585000000e+00 -1.1501750000e+00 -1.8874960000e+00 -2.6204190000e+00
-ENERGY -1.526607770308e+02
-FORCES -2.6715000000e-03 -9.3562000000e-03 -4.9224000000e-03 -1.8116000000e-03  8.3020000000e-04 -2.1360000000e-03  2.3095000000e-03  6.5211000000e-03  7.1149000000e-03 -6.9660000000e-04  8.2490000000e-04 -3.5178000000e-03  3.5680000000e-03  3.3520000000e-03 -9.4630000000e-04 -6.9780000000e-04 -2.1720000000e-03  4.4075000000e-03
-
-JOB 207
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5048600000e-01  1.0111700000e-01 -5.0837000000e-02  3.3367900000e-01  8.9512100000e-01  6.0399000000e-02 -2.3829680000e+00  1.2635560000e+00  2.2012700000e-01 -3.1538110000e+00  8.9401900000e-01  6.5079500000e-01 -1.9095330000e+00  1.7132800000e+00  9.2001200000e-01
-ENERGY -1.526570685761e+02
-FORCES -1.3780200000e-02  8.9292000000e-03 -1.6758000000e-03  6.7676000000e-03 -4.2502000000e-03  2.0948000000e-03 -1.0825000000e-03 -1.8398000000e-03  1.7841000000e-03  3.6519000000e-03 -5.9860000000e-04  4.4613000000e-03  5.1045000000e-03  1.1010000000e-03 -1.9379000000e-03 -6.6130000000e-04 -3.3415000000e-03 -4.7264000000e-03
-
-JOB 208
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8406400000e-01  2.6534100000e-01  7.8199000000e-01 -2.5999100000e-01  8.2377900000e-01 -4.1234000000e-01 -1.4856040000e+00 -2.2412330000e+00  7.3230800000e-01 -9.8837100000e-01 -1.4677270000e+00  4.6645200000e-01 -2.2113330000e+00 -1.8935420000e+00  1.2506340000e+00
-ENERGY -1.526607553711e+02
-FORCES -1.2365000000e-03  1.4472000000e-03  6.9030000000e-04 -3.8195000000e-03 -1.1642000000e-03 -3.9565000000e-03  2.1271000000e-03 -3.2229000000e-03  3.1580000000e-03  4.3053000000e-03  1.1413500000e-02 -3.3399000000e-03 -3.7855000000e-03 -8.1543000000e-03  4.8533000000e-03  2.4091000000e-03 -3.1930000000e-04 -1.4053000000e-03
-
-JOB 209
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9188000000e-01 -5.3065000000e-01  7.4124800000e-01 -6.6839600000e-01  6.7970300000e-01 -8.6506000000e-02  2.4316490000e+00  1.3523310000e+00 -2.1532400000e-01  2.0392590000e+00  1.9766880000e+00 -8.2560300000e-01  1.7538370000e+00  6.8999900000e-01 -8.0713000000e-02
-ENERGY -1.526597199435e+02
-FORCES -7.5470000000e-04  3.4968000000e-03  2.4055000000e-03  1.1516000000e-03  3.2192000000e-03 -3.6264000000e-03  3.1734000000e-03 -3.5214000000e-03  4.0100000000e-04 -1.2652000000e-02 -5.7192000000e-03 -1.0949000000e-03  7.3760000000e-04 -9.8670000000e-04  1.8786000000e-03  8.3442000000e-03  3.5112000000e-03  3.6200000000e-05
-
-JOB 210
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5041600000e-01  7.2727900000e-01  2.9041200000e-01  6.1440900000e-01  3.9592800000e-01 -6.1804100000e-01 -1.0004990000e+00 -2.3130680000e+00 -1.2316280000e+00 -8.5547300000e-01 -1.5441730000e+00 -6.8026600000e-01 -7.5200800000e-01 -2.0281170000e+00 -2.1109960000e+00
-ENERGY -1.526597438976e+02
-FORCES  9.9920000000e-04  1.6907000000e-03 -2.7230000000e-03  2.7793000000e-03 -3.9107000000e-03 -2.3439000000e-03 -3.9453000000e-03 -1.4404000000e-03  2.7262000000e-03  5.1454000000e-03  1.1769100000e-02  3.8483000000e-03 -4.7467000000e-03 -7.4195000000e-03 -3.6580000000e-03 -2.3190000000e-04 -6.8920000000e-04  2.1504000000e-03
-
-JOB 211
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6459100000e-01  8.7608100000e-01 -1.2565000000e-01  9.4389100000e-01  1.4112700000e-01  7.3379000000e-02 -1.3607600000e+00 -8.6296300000e-01  2.3878880000e+00 -7.1113500000e-01 -3.5184900000e-01  1.9052060000e+00 -1.9234030000e+00 -1.2374110000e+00  1.7100580000e+00
-ENERGY -1.526589698501e+02
-FORCES  1.9405000000e-03  2.4385000000e-03 -2.2270000000e-03  1.6597000000e-03 -5.0933000000e-03  2.5902000000e-03 -5.4916000000e-03 -2.1370000000e-04  1.0805000000e-03  4.4761000000e-03  9.5700000000e-04 -1.2586500000e-02 -2.1556000000e-03  1.1788000000e-03  7.8070000000e-03 -4.2900000000e-04  7.3270000000e-04  3.3358000000e-03
-
-JOB 212
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0092300000e-01  1.9095400000e-01 -9.1618700000e-01  6.0678000000e-01 -7.3940700000e-01 -3.6448000000e-02 -1.7395870000e+00 -1.9557790000e+00 -5.2509000000e-01 -2.6452750000e+00 -1.6501520000e+00 -4.7456600000e-01 -1.2327940000e+00 -1.2800190000e+00 -7.4823000000e-02
-ENERGY -1.526577131971e+02
-FORCES -8.2780000000e-04 -5.6604000000e-03 -7.7784000000e-03 -8.8080000000e-04 -1.9363000000e-03  6.0609000000e-03 -7.6784000000e-03  2.2307000000e-03  1.0890000000e-03  6.9319000000e-03  1.3085500000e-02  6.7967000000e-03  3.6347000000e-03  7.3120000000e-04 -4.1700000000e-04 -1.1795000000e-03 -8.4507000000e-03 -5.7512000000e-03
-
-JOB 213
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0502400000e-01  4.6958700000e-01  5.7416600000e-01  7.0503100000e-01 -2.8911300000e-01  5.7929000000e-01 -3.2633450000e+00  7.6794000000e-02 -1.1587360000e+00 -2.7128470000e+00  3.5687300000e-01 -1.8899950000e+00 -3.8228450000e+00 -6.0669000000e-01 -1.5275760000e+00
-ENERGY -1.526559719845e+02
-FORCES -1.1268000000e-03  4.6750000000e-04  5.0797000000e-03  4.5099000000e-03 -1.1463000000e-03 -1.9050000000e-03 -2.9336000000e-03  9.8790000000e-04 -2.2452000000e-03  1.2665000000e-03 -2.6808000000e-03 -4.9199000000e-03 -3.6469000000e-03 -4.3410000000e-04  2.6971000000e-03  1.9310000000e-03  2.8058000000e-03  1.2933000000e-03
-
-JOB 214
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0528200000e-01 -8.1285500000e-01 -1.3719000000e-02 -7.9365200000e-01 -2.1898200000e-01  4.8825700000e-01  1.5111520000e+00 -2.1532800000e+00 -7.0563600000e-01  2.1722290000e+00 -1.8720500000e+00 -1.3381860000e+00  1.0689450000e+00 -2.8878360000e+00 -1.1312080000e+00
-ENERGY -1.526603684391e+02
-FORCES  6.5187000000e-03 -1.1603400000e-02 -2.0102000000e-03 -5.6841000000e-03  7.9070000000e-03  3.6662000000e-03  2.7480000000e-03 -1.1650000000e-03 -2.0124000000e-03 -2.7981000000e-03  4.1679000000e-03 -4.0329000000e-03 -3.3240000000e-03 -2.7424000000e-03  2.6504000000e-03  2.5395000000e-03  3.4359000000e-03  1.7390000000e-03
-
-JOB 215
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2911400000e-01  1.8361000000e-01 -6.9766400000e-01 -6.8955800000e-01 -5.0880700000e-01 -4.2644700000e-01 -1.9906730000e+00  1.7763020000e+00  1.1625350000e+00 -1.7979440000e+00  9.0923500000e-01  8.0576700000e-01 -2.6712860000e+00  1.6205330000e+00  1.8173130000e+00
-ENERGY -1.526542102993e+02
-FORCES  2.3320000000e-03  1.4757000000e-03 -5.1058000000e-03 -2.4946000000e-03 -2.0048000000e-03  3.0103000000e-03  2.6160000000e-04  5.1203000000e-03  4.8989000000e-03  3.6691000000e-03 -5.0655000000e-03 -1.6940000000e-04 -6.9780000000e-03  8.6490000000e-04  2.4780000000e-04  3.2099000000e-03 -3.9060000000e-04 -2.8818000000e-03
-
-JOB 216
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0882300000e-01 -5.8113000000e-01  4.5590900000e-01  4.8888100000e-01  8.1432900000e-01 -1.1872300000e-01 -1.0869700000e+00  3.3004880000e+00  1.2691700000e-01 -1.3752920000e+00  3.1258400000e+00 -7.6896300000e-01 -3.5336000000e-01  3.9074810000e+00  2.8902000000e-02
-ENERGY -1.526546578970e+02
-FORCES  3.5195000000e-03  2.5104000000e-03  2.6031000000e-03 -2.3454000000e-03  2.4707000000e-03 -1.7719000000e-03 -1.7100000000e-04 -4.8634000000e-03 -1.2655000000e-03 -8.8970000000e-04  2.5896000000e-03 -3.9607000000e-03  2.2230000000e-03  1.1381000000e-03  3.9087000000e-03 -2.3364000000e-03 -3.8454000000e-03  4.8640000000e-04
-
-JOB 217
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5672200000e-01  4.0000800000e-01 -1.4917100000e-01 -1.0800000000e-01 -6.1387500000e-01 -7.2644700000e-01 -1.9107050000e+00 -3.6516500000e-01  1.9333850000e+00 -2.3964460000e+00 -1.1348010000e+00  1.6368230000e+00 -1.3418730000e+00 -1.4181500000e-01  1.1966510000e+00
-ENERGY -1.526590467813e+02
-FORCES  5.6200000000e-05 -2.9520000000e-04  2.9381000000e-03 -3.6004000000e-03 -3.0851000000e-03 -1.2952000000e-03  3.0090000000e-04  2.9733000000e-03  3.9723000000e-03  8.7058000000e-03  6.7280000000e-04 -9.1068000000e-03  2.1606000000e-03  2.1630000000e-03 -3.6510000000e-04 -7.6232000000e-03 -2.4289000000e-03  3.8567000000e-03
-
-JOB 218
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3359300000e-01 -4.1926500000e-01  7.4326700000e-01  6.8710700000e-01  8.7234000000e-02 -6.6068600000e-01  1.5885520000e+00 -1.1368980000e+00  1.9313980000e+00  2.2752050000e+00 -1.4844560000e+00  1.3622390000e+00  2.0530520000e+00 -8.3921100000e-01  2.7136090000e+00
-ENERGY -1.526589719202e+02
-FORCES  9.1489000000e-03 -4.3025000000e-03  9.5024000000e-03 -4.0231000000e-03  1.4307000000e-03 -8.1302000000e-03 -1.1638000000e-03 -1.0983000000e-03  2.1122000000e-03  7.0870000000e-04  3.2310000000e-03 -1.2699000000e-03 -3.9625000000e-03  3.3229000000e-03  2.0923000000e-03 -7.0810000000e-04 -2.5839000000e-03 -4.3068000000e-03
-
-JOB 219
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9742800000e-01  7.6770200000e-01 -2.8183400000e-01 -3.9945500000e-01 -3.3509500000e-01 -8.0273200000e-01  1.5661500000e+00  1.8922880000e+00 -1.2079360000e+00  1.4211960000e+00  2.6921560000e+00 -1.7133390000e+00  2.3073540000e+00  1.4669550000e+00 -1.6391450000e+00
-ENERGY -1.526602941648e+02
-FORCES  6.0349000000e-03  9.8269000000e-03 -8.5080000000e-03 -3.5429000000e-03 -6.1464000000e-03  4.4776000000e-03  1.1210000000e-03  4.3550000000e-04  1.9550000000e-03 -1.3754000000e-03 -2.7490000000e-03 -2.3940000000e-04  1.8332000000e-03 -4.4659000000e-03  1.2653000000e-03 -4.0707000000e-03  3.0988000000e-03  1.0496000000e-03
-
-JOB 220
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5881900000e-01 -4.2158200000e-01 -3.0504000000e-02  5.8414300000e-01 -6.7068800000e-01  3.5381600000e-01  1.9329760000e+00 -2.0048890000e+00  4.9112300000e-01  1.9132880000e+00 -2.5600580000e+00  1.2706290000e+00  2.5624350000e+00 -1.3156600000e+00  7.0320000000e-01
-ENERGY -1.526596748525e+02
-FORCES  4.6879000000e-03 -1.1444200000e-02  1.0921000000e-03  2.5463000000e-03  9.6800000000e-04  5.6800000000e-04 -3.5686000000e-03  9.8109000000e-03  7.5510000000e-04  3.4896000000e-03 -1.3650000000e-04  2.0572000000e-03 -4.9170000000e-04  3.6049000000e-03 -3.9944000000e-03 -6.6634000000e-03 -2.8031000000e-03 -4.7810000000e-04
-
-JOB 221
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1690200000e-01 -3.0228300000e-01  6.6655000000e-01  6.9892600000e-01 -6.5399000000e-01  5.6450000000e-03  1.3604650000e+00  1.3654990000e+00  1.8484040000e+00  9.4498000000e-01  1.1537010000e+00  1.0124930000e+00  1.8839180000e+00  2.1457050000e+00  1.6653490000e+00
-ENERGY -1.526601930514e+02
-FORCES  2.0884000000e-03 -2.5024000000e-03  7.9652000000e-03  3.9300000000e-03  1.8230000000e-03 -3.6468000000e-03 -3.0058000000e-03  5.2799000000e-03  6.6010000000e-04 -7.6691000000e-03 -4.5556000000e-03 -1.1189700000e-02  7.0890000000e-03  3.2157000000e-03  8.1324000000e-03 -2.4325000000e-03 -3.2605000000e-03 -1.9210000000e-03
-
-JOB 222
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2660400000e-01 -7.9301300000e-01 -5.2089700000e-01 -4.4315600000e-01 -1.8366400000e-01  8.2831900000e-01  1.9079170000e+00  2.0495000000e-02  2.6382140000e+00  1.4364340000e+00  8.0384400000e-01  2.9215870000e+00  2.4306290000e+00 -2.3330500000e-01  3.3988640000e+00
-ENERGY -1.526535440918e+02
-FORCES  1.0520000000e-04 -5.3114000000e-03  3.0051000000e-03  1.5440000000e-04  3.1471000000e-03  1.6279000000e-03 -2.1860000000e-04  2.0667000000e-03 -3.7623000000e-03  1.2251000000e-03  3.4555000000e-03  3.5449000000e-03  1.0078000000e-03 -4.1902000000e-03 -6.9990000000e-04 -2.2739000000e-03  8.3230000000e-04 -3.7157000000e-03
-
-JOB 223
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7124400000e-01  4.0728700000e-01 -6.5117600000e-01 -6.0027400000e-01 -3.8815300000e-01  6.3658500000e-01  7.7215200000e-01  2.8496010000e+00 -2.1572810000e+00 -1.8095600000e-01  2.7657310000e+00 -2.1292830000e+00  9.5856900000e-01  3.6394960000e+00 -1.6497910000e+00
-ENERGY -1.526527005880e+02
-FORCES -4.0619000000e-03  4.9600000000e-05 -9.1710000000e-04  8.7080000000e-04 -1.4075000000e-03  2.9176000000e-03  2.6770000000e-03  1.9652000000e-03 -2.6443000000e-03 -1.9733000000e-03  3.5671000000e-03  2.9948000000e-03  3.4274000000e-03 -1.2056000000e-03  2.9250000000e-04 -9.4000000000e-04 -2.9688000000e-03 -2.6435000000e-03
-
-JOB 224
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6274900000e-01 -8.3067200000e-01 -3.0761900000e-01 -6.5282900000e-01  2.3557600000e-01 -6.5920400000e-01 -1.8814810000e+00  1.1138270000e+00 -1.4077330000e+00 -1.3465300000e+00  1.8624150000e+00 -1.6716950000e+00 -2.0228540000e+00  6.2262000000e-01 -2.2170300000e+00
-ENERGY -1.526563785910e+02
-FORCES -1.5391900000e-02  6.9547000000e-03 -9.6798000000e-03 -3.4689000000e-03  3.1895000000e-03 -1.6151000000e-03  1.0381700000e-02 -4.2318000000e-03  1.1441000000e-03  6.3695000000e-03 -2.7250000000e-04  2.4948000000e-03 -1.9202000000e-03 -6.6323000000e-03  1.5493000000e-03  4.0298000000e-03  9.9240000000e-04  6.1066000000e-03
-
-JOB 225
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4782900000e-01  2.8244000000e-01 -5.2650900000e-01  3.8908600000e-01 -3.4726900000e-01  8.0265100000e-01  1.6361820000e+00  1.9495950000e+00  1.6401420000e+00  1.2235130000e+00  2.5460190000e+00  1.0154700000e+00  9.4639200000e-01  1.7500940000e+00  2.2730880000e+00
-ENERGY -1.526558822844e+02
-FORCES  9.2214000000e-03  1.9233000000e-03  3.4298000000e-03 -4.0665000000e-03 -7.4190000000e-04 -2.0850000000e-04 -3.7755000000e-03 -1.1400000000e-05 -1.7468000000e-03 -8.1942000000e-03  1.2020000000e-03 -1.7439000000e-03  3.1935000000e-03 -1.8415000000e-03  2.0851000000e-03  3.6213000000e-03 -5.3050000000e-04 -1.8158000000e-03
-
-JOB 226
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8179000000e-01  2.0302300000e-01  5.1363100000e-01 -3.3763000000e-01 -3.8180300000e-01 -8.1022500000e-01  1.9191320000e+00  9.0443100000e-01  2.2116710000e+00  1.0184790000e+00  1.2161400000e+00  2.3005150000e+00  1.9736410000e+00  1.5570900000e-01  2.8055360000e+00
-ENERGY -1.526510087619e+02
-FORCES -3.9225000000e-03 -6.8220000000e-04 -1.7280000000e-03  4.4266000000e-03 -5.8200000000e-05 -6.1310000000e-04  2.0886000000e-03  1.5432000000e-03  3.8505000000e-03 -5.0687000000e-03 -3.5185000000e-03 -9.6670000000e-04  2.5171000000e-03 -4.5980000000e-04  1.2649000000e-03 -4.1200000000e-05  3.1756000000e-03 -1.8076000000e-03
-
-JOB 227
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7583000000e-01 -6.8356200000e-01  3.4263000000e-01 -5.9302400000e-01  7.0396400000e-01 -2.6265600000e-01  4.5236300000e-01 -8.2135100000e-01  3.6212310000e+00 -2.7163800000e-01 -1.9922200000e-01  3.6920120000e+00  3.2599900000e-01 -1.4212800000e+00  4.3563160000e+00
-ENERGY -1.526536290025e+02
-FORCES -3.9406000000e-03 -9.7390000000e-04  8.0930000000e-04  1.3641000000e-03  3.3919000000e-03 -2.3816000000e-03  2.3770000000e-03 -2.7335000000e-03  1.5556000000e-03 -2.6821000000e-03  1.0218000000e-03  3.7237000000e-03  2.4011000000e-03 -3.1506000000e-03 -2.7530000000e-04  4.8050000000e-04  2.4443000000e-03 -3.4316000000e-03
-
-JOB 228
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8464200000e-01 -4.6844100000e-01  5.9580900000e-01 -2.8537500000e-01 -6.6401700000e-01 -6.2759500000e-01  1.8113080000e+00  1.4987270000e+00 -5.8655400000e-01  9.5936000000e-01  1.1687410000e+00 -3.0102800000e-01  1.8599580000e+00  2.3831740000e+00 -2.2376100000e-01
-ENERGY -1.526523879349e+02
-FORCES  2.1276000000e-02  1.4283600000e-02 -9.8015000000e-03 -3.1837000000e-03  3.6764000000e-03 -3.9042000000e-03  2.1683000000e-03  1.6256000000e-03  4.6442000000e-03 -2.3104700000e-02 -1.7845800000e-02  3.6123000000e-03  7.1036000000e-03  2.8383000000e-03  4.3981000000e-03 -4.2594000000e-03 -4.5781000000e-03  1.0512000000e-03
-
-JOB 229
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4198500000e-01 -8.0273900000e-01 -4.6182800000e-01 -4.9446400000e-01  6.8983600000e-01 -4.4256600000e-01 -1.9305270000e+00 -8.0971400000e-01  2.0302760000e+00 -1.1534680000e+00 -6.0200700000e-01  1.5113630000e+00 -1.5842970000e+00 -1.1508840000e+00  2.8548720000e+00
-ENERGY -1.526613249402e+02
-FORCES -2.7400000000e-03  1.4964000000e-03 -5.9124000000e-03  1.9000000000e-04  4.1413000000e-03  4.9277000000e-03  2.5548000000e-03 -4.0576000000e-03  2.0609000000e-03  8.2583000000e-03  2.9728000000e-03 -2.9069000000e-03 -8.0087000000e-03 -5.6694000000e-03  5.1467000000e-03 -2.5440000000e-04  1.1165000000e-03 -3.3160000000e-03
-
-JOB 230
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0486900000e-01  7.2185600000e-01  3.7451800000e-01 -4.8951800000e-01  3.9770800000e-01 -7.2002200000e-01  1.2745000000e+00  1.5835900000e+00  2.0322890000e+00  5.5819000000e-01  2.0514810000e+00  2.4614860000e+00  1.8529720000e+00  2.2744660000e+00  1.7093470000e+00
-ENERGY -1.526590528707e+02
-FORCES  4.0357000000e-03  5.9334000000e-03  4.9433000000e-03 -4.5981000000e-03 -3.4073000000e-03 -9.1712000000e-03  2.1546000000e-03 -4.8000000000e-06  3.4697000000e-03 -1.2046000000e-03  3.2320000000e-03  4.2593000000e-03  4.0094000000e-03 -1.6318000000e-03 -3.1034000000e-03 -4.3970000000e-03 -4.1215000000e-03 -3.9760000000e-04
-
-JOB 231
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7626500000e-01 -2.8128200000e-01 -6.1626100000e-01 -4.6194700000e-01  7.0385900000e-01 -4.5543300000e-01  2.0803320000e+00 -1.9289790000e+00  1.3283000000e+00  1.3536720000e+00 -1.7547290000e+00  1.9264920000e+00  1.6623420000e+00 -2.2567170000e+00  5.3199300000e-01
-ENERGY -1.526555829016e+02
-FORCES  2.1921000000e-03  2.8735000000e-03 -4.1294000000e-03 -4.2266000000e-03 -7.4860000000e-04  1.7488000000e-03  2.4347000000e-03 -2.9486000000e-03  2.0076000000e-03 -7.5088000000e-03  1.1888000000e-03  2.6430000000e-04  4.2864000000e-03 -2.5101000000e-03 -9.5010000000e-04  2.8222000000e-03  2.1451000000e-03  1.0588000000e-03
-
-JOB 232
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3856000000e-01 -5.9296700000e-01  1.3838500000e-01 -3.1311300000e-01  2.0311500000e-01  8.8144000000e-01 -1.3261320000e+00  9.3009300000e-01  2.2459980000e+00 -1.1253520000e+00  4.8494600000e-01  3.0692620000e+00 -1.0024650000e+00  1.8222730000e+00  2.3704420000e+00
-ENERGY -1.526600127055e+02
-FORCES -5.5863000000e-03  2.6319000000e-03  1.0539200000e-02 -2.9013000000e-03  2.1758000000e-03  1.5893000000e-03  7.9374000000e-03 -3.7170000000e-03 -7.7364000000e-03  8.4650000000e-04  2.6225000000e-03  1.3888000000e-03  6.0930000000e-04  2.0345000000e-03 -5.4523000000e-03 -9.0560000000e-04 -5.7477000000e-03 -3.2860000000e-04
-
-JOB 233
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3925000000e-01  9.9664000000e-02  1.5527100000e-01  2.1837500000e-01 -8.4826200000e-01  3.8600000000e-01  1.7706330000e+00  1.9111150000e+00  1.3007000000e-01  1.5678980000e+00  2.4601050000e+00 -6.2738600000e-01  1.0649460000e+00  1.2648370000e+00  1.5381100000e-01
-ENERGY -1.526587591816e+02
-FORCES  6.8800000000e-03  6.1349000000e-03  2.5394000000e-03  5.1619000000e-03 -1.2595000000e-03 -7.6370000000e-04 -2.9100000000e-03  4.4719000000e-03 -1.7201000000e-03 -1.3638300000e-02 -1.3681200000e-02 -2.9190000000e-03 -8.1150000000e-04 -1.7971000000e-03  2.0047000000e-03  5.3180000000e-03  6.1310000000e-03  8.5870000000e-04
-
-JOB 234
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3157500000e-01  2.1232400000e-01 -5.7961100000e-01  3.9574700000e-01 -7.5112000000e-02  8.6831700000e-01  6.7055200000e-01 -1.3290760000e+00  2.2637190000e+00  6.9353800000e-01 -7.6877100000e-01  3.0394520000e+00  1.4170080000e+00 -1.9185460000e+00  2.3712420000e+00
-ENERGY -1.526564133065e+02
-FORCES  5.4859000000e-03 -6.7383000000e-03  9.7936000000e-03 -1.6482000000e-03 -1.5697000000e-03  2.7461000000e-03 -1.9213000000e-03  8.1181000000e-03 -4.2857000000e-03  1.4323000000e-03 -2.1322000000e-03 -1.7170000000e-03  3.1220000000e-04 -1.0379000000e-03 -6.7719000000e-03 -3.6609000000e-03  3.3599000000e-03  2.3490000000e-04
-
-JOB 235
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2825100000e-01  7.9359100000e-01  4.8409400000e-01  5.0109400000e-01  6.2446000000e-02 -8.1316500000e-01  1.4846520000e+00 -2.1455770000e+00  8.2395400000e-01  1.2969280000e+00 -2.5434690000e+00 -2.6148000000e-02  8.5715000000e-01 -1.4263650000e+00  8.9611500000e-01
-ENERGY -1.526582035577e+02
-FORCES  6.8861000000e-03 -5.9400000000e-04 -1.8805000000e-03 -2.6200000000e-04 -5.3054000000e-03 -1.8346000000e-03 -2.8430000000e-03 -7.6930000000e-04  4.0046000000e-03 -1.1047600000e-02  1.0179200000e-02 -6.2666000000e-03  1.6866000000e-03  1.2855000000e-03  1.4320000000e-03  5.5800000000e-03 -4.7960000000e-03  4.5452000000e-03
-
-JOB 236
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5700000000e-01 -8.3694800000e-01 -8.3074000000e-02 -2.0877500000e-01  2.4981600000e-01 -9.0013100000e-01 -1.6550600000e+00  1.8127700000e+00 -1.6533900000e+00 -9.8994100000e-01  2.4751360000e+00 -1.8407950000e+00 -2.0162910000e+00  1.5862240000e+00 -2.5103740000e+00
-ENERGY -1.526570638653e+02
-FORCES -3.0424000000e-03  1.0034000000e-03 -5.0106000000e-03 -2.4102000000e-03  3.4325000000e-03 -7.1930000000e-04  6.6715000000e-03 -4.4431000000e-03  3.6683000000e-03 -1.5743000000e-03  4.8988000000e-03 -2.7613000000e-03 -2.4866000000e-03 -4.9385000000e-03  4.7810000000e-04  2.8420000000e-03  4.6900000000e-05  4.3449000000e-03
-
-JOB 237
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7921300000e-01 -5.5004500000e-01 -8.0681000000e-02  4.8751000000e-02  5.9629200000e-01 -7.4718900000e-01  4.4152400000e-01 -1.7291720000e+00  3.1628910000e+00  1.1190350000e+00 -1.0540680000e+00  3.1248620000e+00  8.5877300000e-01 -2.4627310000e+00  3.6145830000e+00
-ENERGY -1.526536192951e+02
-FORCES  2.8111000000e-03 -8.6140000000e-04 -3.5561000000e-03 -2.4723000000e-03  3.2881000000e-03  1.1780000000e-04 -2.6410000000e-04 -2.5230000000e-03  3.3251000000e-03  3.7380000000e-03  7.2010000000e-04  2.2615000000e-03 -2.0316000000e-03 -3.6683000000e-03  9.9900000000e-05 -1.7811000000e-03  3.0445000000e-03 -2.2482000000e-03
-
-JOB 238
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4779500000e-01  2.8200000000e-01 -3.4344100000e-01 -2.1988000000e-01 -7.7787700000e-01 -5.1263300000e-01 -1.9301630000e+00  1.9940730000e+00  6.8527000000e-02 -2.1319880000e+00  2.4007150000e+00 -7.7417200000e-01 -1.2561050000e+00  1.3451610000e+00 -1.3344400000e-01
-ENERGY -1.526603812454e+02
-FORCES  1.1504000000e-03 -1.3496000000e-03 -1.2008000000e-03 -5.4525000000e-03 -1.2789000000e-03  7.3860000000e-04  1.4351000000e-03  5.0034000000e-03  1.8633000000e-03  8.3659000000e-03 -8.4827000000e-03 -1.5387000000e-03  1.9440000000e-03 -2.4740000000e-03  2.0726000000e-03 -7.4430000000e-03  8.5818000000e-03 -1.9351000000e-03
-
-JOB 239
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2086600000e-01  4.5591900000e-01  5.6823900000e-01 -5.1389000000e-02  5.4488800000e-01 -7.8529500000e-01  1.3666160000e+00  1.0532630000e+00  1.9627570000e+00  4.8964900000e-01  1.3126930000e+00  2.2453450000e+00  1.5632870000e+00  2.7108700000e-01  2.4782690000e+00
-ENERGY -1.526583087806e+02
-FORCES  1.2928400000e-02  7.9085000000e-03  1.1596000000e-02 -1.0070000000e-02 -2.9429000000e-03 -4.2464000000e-03  1.2351000000e-03  1.1740000000e-04  4.0318000000e-03 -6.8738000000e-03 -6.4400000000e-03 -2.5486000000e-03  4.8452000000e-03 -2.9381000000e-03 -5.3191000000e-03 -2.0649000000e-03  4.2951000000e-03 -3.5137000000e-03
-
-JOB 240
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0335100000e-01  3.0870100000e-01  6.7594700000e-01 -5.4876300000e-01 -1.1941700000e-01 -7.7513200000e-01 -1.6018340000e+00  8.6842200000e-01  2.4940570000e+00 -2.4821780000e+00  1.1555230000e+00  2.7365440000e+00 -1.0355540000e+00  1.6018090000e+00  2.7342690000e+00
-ENERGY -1.526607124579e+02
-FORCES -6.8176000000e-03  7.2580000000e-04  3.3655000000e-03  6.6641000000e-03 -7.1350000000e-04 -7.3758000000e-03  1.6138000000e-03  4.8730000000e-04  2.5602000000e-03 -2.6040000000e-03  3.9997000000e-03  4.3322000000e-03  4.3078000000e-03 -7.5810000000e-04 -5.5630000000e-04 -3.1641000000e-03 -3.7412000000e-03 -2.3258000000e-03
-
-JOB 241
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2641100000e-01 -3.3593000000e-01 -8.6724900000e-01  1.1568600000e-01 -7.4868200000e-01  5.8508400000e-01  1.9002140000e+00  1.7416090000e+00  6.6895300000e-01  1.4032460000e+00  9.2596700000e-01  7.3205600000e-01  1.7521670000e+00  2.1783450000e+00  1.5077480000e+00
-ENERGY -1.526553678852e+02
-FORCES  3.6278000000e-03  2.2399000000e-03 -4.0078000000e-03 -1.2211000000e-03  8.6980000000e-04  5.3866000000e-03  3.3603000000e-03  7.4504000000e-03 -1.5952000000e-03 -1.2981600000e-02 -8.4161000000e-03 -2.8849000000e-03  7.9511000000e-03  7.5380000000e-04  5.5567000000e-03 -7.3640000000e-04 -2.8978000000e-03 -2.4555000000e-03
-
-JOB 242
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5025100000e-01 -2.6127000000e-02 -7.0194200000e-01  3.2879500000e-01 -6.1596000000e-01  6.5476600000e-01 -1.6062990000e+00 -1.7120950000e+00 -1.4344310000e+00 -1.0809870000e+00 -1.2173670000e+00 -8.0552500000e-01 -1.9805100000e+00 -1.0460170000e+00 -2.0110930000e+00
-ENERGY -1.526588186034e+02
-FORCES  3.0474000000e-03 -2.4398000000e-03 -2.0581000000e-03 -5.4234000000e-03 -1.2328000000e-03  3.4181000000e-03 -3.8680000000e-03  1.5907000000e-03 -5.8801000000e-03  5.7906000000e-03  1.3207700000e-02  7.7254000000e-03 -1.2308000000e-03 -9.1090000000e-03 -4.0626000000e-03  1.6842000000e-03 -2.0168000000e-03  8.5730000000e-04
-
-JOB 243
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0722700000e-01 -3.0117400000e-01  4.9646000000e-02  4.5693000000e-02  8.1907400000e-01 -4.9321500000e-01  1.4617110000e+00  2.7096830000e+00  1.2211650000e+00  5.4403900000e-01  2.9696610000e+00  1.3019170000e+00  1.4982020000e+00  1.8348020000e+00  1.6077970000e+00
-ENERGY -1.526567522916e+02
-FORCES  4.7320000000e-03  2.6954000000e-03 -4.0077000000e-03 -3.7730000000e-03  1.2831000000e-03  1.4827000000e-03 -1.8152000000e-03 -3.9097000000e-03  2.5296000000e-03 -4.9532000000e-03 -3.2617000000e-03  3.8891000000e-03  3.9491000000e-03 -3.8590000000e-04 -1.5517000000e-03  1.8602000000e-03  3.5788000000e-03 -2.3420000000e-03
-
-JOB 244
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2444200000e-01 -2.2789400000e-01  4.2964200000e-01 -2.5706400000e-01  5.6657600000e-01 -7.2742100000e-01 -7.8009100000e-01  1.6245910000e+00 -1.9553230000e+00 -7.9134300000e-01  1.0427740000e+00 -2.7153190000e+00 -7.6800000000e-04  2.1663530000e+00 -2.0793500000e+00
-ENERGY -1.526592081324e+02
-FORCES -8.7586000000e-03  1.2280400000e-02 -1.2364600000e-02  1.7524000000e-03  6.2890000000e-04 -1.9674000000e-03  5.9732000000e-03 -6.9744000000e-03  4.8773000000e-03  3.8447000000e-03 -3.1119000000e-03  2.0212000000e-03  1.1556000000e-03  2.3557000000e-03  6.0509000000e-03 -3.9672000000e-03 -5.1788000000e-03  1.3826000000e-03
-
-JOB 245
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0095700000e-01 -3.0231600000e-01  8.8569400000e-01 -8.3092000000e-02 -7.8232500000e-01 -5.4524800000e-01 -5.6896400000e-01 -2.3394500000e+00 -1.4981630000e+00  2.5860100000e-01 -2.8027310000e+00 -1.6275430000e+00 -1.2282010000e+00 -2.9114570000e+00 -1.8911580000e+00
-ENERGY -1.526600814922e+02
-FORCES -4.6067000000e-03 -9.5498000000e-03 -3.2010000000e-03  7.8400000000e-04  9.4280000000e-04 -2.3786000000e-03  5.9005000000e-03  5.4076000000e-03  3.9366000000e-03 -2.0847000000e-03 -7.8430000000e-04 -1.1576000000e-03 -4.3837000000e-03  3.1039000000e-03  1.3872000000e-03  4.3905000000e-03  8.7970000000e-04  1.4134000000e-03
-
-JOB 246
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3257300000e-01  3.8443300000e-01  6.0687300000e-01 -5.3285400000e-01 -5.0595400000e-01 -6.1344000000e-01  1.4766230000e+00  2.4760790000e+00 -1.8777200000e-01  1.0795170000e+00  1.6447720000e+00  7.1976000000e-02  2.0272130000e+00  2.7217030000e+00  5.5570000000e-01
-ENERGY -1.526594303970e+02
-FORCES -4.2767000000e-03 -7.8870000000e-04 -3.8240000000e-03  5.3237000000e-03 -1.9290000000e-04 -3.1805000000e-03  1.1151000000e-03  1.5764000000e-03  4.1336000000e-03 -1.4604000000e-03 -8.0234000000e-03  9.1240000000e-04  2.0776000000e-03  9.2587000000e-03  3.9049000000e-03 -2.7792000000e-03 -1.8302000000e-03 -1.9465000000e-03
-
-JOB 247
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8848900000e-01  4.4150000000e-01  4.9728500000e-01  4.0096500000e-01 -8.1955900000e-01 -2.8945300000e-01 -1.6385550000e+00 -1.0532320000e+00  1.8834410000e+00 -1.2660520000e+00 -6.8423900000e-01  1.0826180000e+00 -2.4398330000e+00 -1.4908650000e+00  1.5959280000e+00
-ENERGY -1.526604180642e+02
-FORCES  2.6072000000e-03 -2.2252000000e-03  6.1080000000e-03 -2.8331000000e-03 -2.8266000000e-03 -3.3774000000e-03 -3.5422000000e-03  3.8910000000e-03  2.4860000000e-03  6.3306000000e-03  6.6907000000e-03 -1.0359600000e-02 -6.2577000000e-03 -7.1431000000e-03  6.4425000000e-03  3.6952000000e-03  1.6133000000e-03 -1.2995000000e-03
-
-JOB 248
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2648700000e-01  8.5608000000e-01  4.0909700000e-01  7.2772000000e-01 -3.9162400000e-01  4.8299700000e-01  1.6132020000e+00  8.4514800000e-01 -2.2668020000e+00  1.1567010000e+00  1.2502410000e+00 -3.0041890000e+00  9.2506100000e-01  3.9578200000e-01 -1.7761260000e+00
-ENERGY -1.526612523116e+02
-FORCES  3.5207000000e-03  3.3526000000e-03  4.9621000000e-03  3.3840000000e-04 -4.3594000000e-03 -1.8637000000e-03 -3.6556000000e-03  2.1739000000e-03 -2.9420000000e-03 -7.5024000000e-03 -2.8541000000e-03  4.2543000000e-03  6.3730000000e-04 -1.1836000000e-03  3.2636000000e-03  6.6616000000e-03  2.8706000000e-03 -7.6743000000e-03
-
-JOB 249
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3818300000e-01  2.9656300000e-01 -3.5458700000e-01 -1.5545700000e-01 -8.4344200000e-01 -4.2505400000e-01 -8.3477800000e-01 -2.5739450000e+00 -1.2413990000e+00 -1.6298310000e+00 -3.1068460000e+00 -1.2295280000e+00 -6.8784600000e-01 -2.3827270000e+00 -2.1677240000e+00
-ENERGY -1.526603295815e+02
-FORCES -1.5160000000e-04 -7.2180000000e-03 -2.9117000000e-03 -3.0784000000e-03 -1.6665000000e-03  1.8770000000e-04  4.4102000000e-03  9.3793000000e-03  1.1960000000e-03 -5.0047000000e-03 -2.3499000000e-03 -2.0613000000e-03  3.9178000000e-03  1.6246000000e-03 -1.6901000000e-03 -9.3400000000e-05  2.3060000000e-04  5.2793000000e-03
-
-JOB 250
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2242000000e-02  1.1819000000e-01  9.4712400000e-01  7.6303400000e-01 -5.6665600000e-01 -1.1362800000e-01  2.0571460000e+00 -1.6447260000e+00 -4.6130000000e-02  2.8427790000e+00 -1.2064340000e+00 -3.7310200000e-01  1.8790400000e+00 -2.3300690000e+00 -6.9019200000e-01
-ENERGY -1.526591257107e+02
-FORCES  1.5810800000e-02 -1.2890200000e-02  2.8307000000e-03  5.8990000000e-04 -2.0750000000e-04 -2.2701000000e-03 -6.8002000000e-03  5.8838000000e-03 -2.8537000000e-03 -4.8251000000e-03  3.9349000000e-03 -1.8905000000e-03 -5.6167000000e-03 -2.1637000000e-03  1.1518000000e-03  8.4130000000e-04  5.4427000000e-03  3.0318000000e-03
-
-JOB 251
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9825000000e-02 -5.4674400000e-01 -7.8467600000e-01  3.9122400000e-01 -5.6482000000e-01  6.6644900000e-01 -1.7143590000e+00  2.0454830000e+00 -4.6564900000e-01 -2.6443810000e+00  1.8200610000e+00 -4.4384700000e-01 -1.2666630000e+00  1.2435550000e+00 -1.9599800000e-01
-ENERGY -1.526599479956e+02
-FORCES -1.0822000000e-03  1.1432000000e-03 -1.7760000000e-04 -7.5930000000e-04  2.4230000000e-03  5.0400000000e-03 -1.3639000000e-03  1.4984000000e-03 -4.5894000000e-03  6.5506000000e-03 -9.5519000000e-03  4.2145000000e-03  3.5473000000e-03 -9.3440000000e-04  3.5900000000e-05 -6.8924000000e-03  5.4218000000e-03 -4.5235000000e-03
-
-JOB 252
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4460000000e-02  8.6457800000e-01 -4.0200000000e-01  8.4112800000e-01 -4.2537700000e-01 -1.6670200000e-01 -1.8020130000e+00  7.5543300000e-01  2.0415870000e+00 -2.2570190000e+00 -4.1565000000e-02  2.3136080000e+00 -1.3042560000e+00  4.9497600000e-01  1.2665820000e+00
-ENERGY -1.526599035868e+02
-FORCES  3.4104000000e-03  4.7660000000e-04  1.8197000000e-03 -1.3325000000e-03 -4.6510000000e-03  3.4641000000e-03 -3.3608000000e-03  2.8258000000e-03 -9.6950000000e-04  5.9849000000e-03 -7.0681000000e-03 -6.4945000000e-03  1.4711000000e-03  2.1642000000e-03 -5.8800000000e-04 -6.1731000000e-03  6.2524000000e-03  2.7682000000e-03
-
-JOB 253
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5383600000e-01 -2.6615600000e-01  6.4644500000e-01  6.4430500000e-01 -7.0787000000e-01  4.8730000000e-03  2.2193690000e+00 -1.9045690000e+00 -2.7649100000e-01  2.5985090000e+00 -2.5073900000e+00  3.6311100000e-01  2.7925990000e+00 -1.1383450000e+00 -2.5328100000e-01
-ENERGY -1.526609382844e+02
-FORCES  3.6202000000e-03 -8.5088000000e-03  8.7550000000e-04  2.4164000000e-03  4.3330000000e-04 -1.8039000000e-03 -4.9594000000e-03  9.3308000000e-03  1.1662000000e-03  5.3805000000e-03 -6.2020000000e-04  1.8490000000e-03 -1.4379000000e-03  3.2864000000e-03 -3.0500000000e-03 -5.0197000000e-03 -3.9215000000e-03  9.6330000000e-04
-
-JOB 254
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6799700000e-01  4.3774700000e-01  5.2762600000e-01  5.0105400000e-01 -5.1873900000e-01  6.2935400000e-01 -2.6618790000e+00 -2.3684840000e+00  6.9110800000e-01 -1.7608200000e+00 -2.6751500000e+00  5.8971200000e-01 -2.7798560000e+00 -2.2787230000e+00  1.6367600000e+00
-ENERGY -1.526538470396e+02
-FORCES -2.0503000000e-03  5.8220000000e-04  4.3753000000e-03  3.9214000000e-03 -1.2605000000e-03 -1.6128000000e-03 -2.5087000000e-03  1.0484000000e-03 -2.6215000000e-03  3.6000000000e-03 -1.3356000000e-03  1.9713000000e-03 -3.9133000000e-03  5.4270000000e-04  1.8036000000e-03  9.5080000000e-04  4.2290000000e-04 -3.9159000000e-03
-
-JOB 255
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2291500000e-01  4.1512900000e-01 -2.5828400000e-01 -2.4344800000e-01 -5.3902600000e-01 -7.5260600000e-01 -1.7473870000e+00  2.1646700000e+00 -4.1155600000e-01 -1.8894480000e+00  2.5299110000e+00 -1.2848540000e+00 -1.0995410000e+00  1.4724670000e+00 -5.4339900000e-01
-ENERGY -1.526574576472e+02
-FORCES  2.9038000000e-03 -2.5319000000e-03 -6.2890000000e-04 -6.8343000000e-03 -5.6830000000e-04 -1.3130000000e-04  1.4680000000e-04  6.2908000000e-03  3.1182000000e-03  6.2698000000e-03 -8.0549000000e-03  1.1289000000e-03  2.1093000000e-03 -3.1627000000e-03  2.7003000000e-03 -4.5954000000e-03  8.0269000000e-03 -6.1873000000e-03
-
-JOB 256
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9342200000e-01 -1.9589200000e-01 -6.3009800000e-01 -5.5422900000e-01  6.4130700000e-01 -4.4473400000e-01  1.1445020000e+00 -6.8783300000e-01 -2.3832770000e+00  2.0095690000e+00 -1.0955960000e+00 -2.4235340000e+00  1.1891340000e+00  3.2307000000e-02 -3.0122740000e+00
-ENERGY -1.526576333995e+02
-FORCES  4.1648000000e-03 -2.6265000000e-03 -1.5389800000e-02  4.5500000000e-05  2.1024000000e-03  8.4148000000e-03  1.2410000000e-03 -9.0270000000e-04  1.4841000000e-03 -3.3210000000e-04  1.7384000000e-03 -7.6100000000e-05 -4.7642000000e-03  3.2260000000e-03  1.5627000000e-03 -3.5520000000e-04 -3.5377000000e-03  4.0043000000e-03
-
-JOB 257
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7019000000e-01 -1.8500100000e-01 -8.1297500000e-01  2.5878100000e-01 -7.0559100000e-01  5.9279500000e-01 -1.9578410000e+00  1.9897310000e+00  2.4649200000e-01 -1.2974780000e+00  2.1820210000e+00  9.1220700000e-01 -1.6256290000e+00  1.2131310000e+00 -2.0379600000e-01
-ENERGY -1.526590513293e+02
-FORCES  5.7210000000e-04 -1.4771000000e-03  7.4550000000e-04 -3.1352000000e-03  7.5090000000e-04  4.0632000000e-03 -1.7120000000e-04  3.6336000000e-03 -3.1632000000e-03  1.0901400000e-02 -8.6348000000e-03  1.1623000000e-03 -3.0962000000e-03  1.8185000000e-03 -1.1250000000e-04 -5.0709000000e-03  3.9089000000e-03 -2.6953000000e-03
-
-JOB 258
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9652700000e-01  6.2913500000e-01  1.8780600000e-01 -4.2159200000e-01 -6.7197900000e-01 -5.3566500000e-01 -1.8410180000e+00  1.7633850000e+00  7.7456700000e-01 -2.4599160000e+00  1.9836960000e+00  7.8391000000e-02 -1.4848740000e+00  2.6065300000e+00  1.0547450000e+00
-ENERGY -1.526592268057e+02
-FORCES -1.2961800000e-02  1.0072300000e-02  5.3137000000e-03  6.4597000000e-03 -6.4545000000e-03 -5.2179000000e-03 -5.0720000000e-04  3.2343000000e-03  1.3873000000e-03  5.2969000000e-03 -7.0200000000e-04 -2.2671000000e-03  4.5036000000e-03 -1.8951000000e-03  3.1402000000e-03 -2.7912000000e-03 -4.2550000000e-03 -2.3562000000e-03
-
-JOB 259
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9577600000e-01 -6.6297500000e-01  6.2387000000e-01 -8.9239300000e-01  2.0847500000e-01  2.7641300000e-01  8.9826200000e-01 -3.1084160000e+00 -5.8089300000e-01  1.5011600000e+00 -2.6585540000e+00 -1.1728140000e+00  4.6240000000e-01 -3.7590750000e+00 -1.1312560000e+00
-ENERGY -1.526568009545e+02
-FORCES -2.4679000000e-03 -4.7315000000e-03  3.4477000000e-03 -7.2020000000e-04  5.7344000000e-03 -1.3101000000e-03  3.1995000000e-03 -6.2140000000e-04 -1.0361000000e-03 -1.6570000000e-04  1.9270000000e-04 -6.1291000000e-03 -1.7763000000e-03 -2.9201000000e-03  2.9597000000e-03  1.9306000000e-03  2.3460000000e-03  2.0679000000e-03
-
-JOB 260
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7997100000e-01  4.5499500000e-01  7.5155400000e-01 -5.2416400000e-01  6.6649600000e-01 -4.4414700000e-01  1.7557550000e+00 -4.2752500000e-01 -1.9379510000e+00  1.1310830000e+00 -1.0427150000e+00 -2.3220840000e+00  1.4050300000e+00 -2.4190000000e-01 -1.0668780000e+00
-ENERGY -1.526573357113e+02
-FORCES  2.1835000000e-03  2.6533000000e-03 -6.7425000000e-03  2.9870000000e-04 -2.3650000000e-03 -6.4809000000e-03  3.1065000000e-03 -3.7179000000e-03  2.8219000000e-03 -1.4743200000e-02 -6.9700000000e-04  1.3959300000e-02  1.5217000000e-03  1.9968000000e-03 -6.1600000000e-04  7.6328000000e-03  2.1297000000e-03 -2.9419000000e-03
-
-JOB 261
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8718000000e-01  8.3610800000e-01  4.2675400000e-01  6.9068700000e-01 -5.8667900000e-01  3.0820600000e-01 -3.9590840000e+00  8.1818400000e-01 -8.0644900000e-01 -3.6650370000e+00  1.0509090000e+00  7.4237000000e-02 -4.6271710000e+00  1.4705800000e-01 -6.6687500000e-01
-ENERGY -1.526534692786e+02
-FORCES  4.0456000000e-03  1.0868000000e-03  2.3183000000e-03 -1.2038000000e-03 -3.5336000000e-03 -1.3711000000e-03 -3.0086000000e-03  2.3943000000e-03 -1.2680000000e-03 -2.3220000000e-04 -2.6914000000e-03  4.2387000000e-03 -1.9373000000e-03 -7.8500000000e-05 -3.2941000000e-03  2.3363000000e-03  2.8223000000e-03 -6.2370000000e-04
-
-JOB 262
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4628900000e-01 -4.8484200000e-01 -5.1329400000e-01 -6.0184700000e-01  3.6078100000e-01 -6.5103700000e-01  2.9856200000e-01  1.3819520000e+00  2.3048820000e+00  3.6818400000e-01  8.9374500000e-01  1.4844930000e+00  1.0819020000e+00  1.9317120000e+00  2.3242110000e+00
-ENERGY -1.526603458467e+02
-FORCES -7.6840000000e-04  3.1808000000e-03  1.4679000000e-03 -3.4150000000e-03  3.2683000000e-03  1.9059000000e-03  3.9888000000e-03 -2.8431000000e-03  1.9528000000e-03  5.5700000000e-05 -6.4442000000e-03 -1.2053400000e-02  2.1050000000e-03  5.2045000000e-03  8.2583000000e-03 -1.9660000000e-03 -2.3664000000e-03 -1.5315000000e-03
-
-JOB 263
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1896800000e-01  6.1984700000e-01  7.1963100000e-01  3.8002000000e-01  4.3956900000e-01 -7.6065500000e-01 -1.8922190000e+00 -1.8889320000e+00 -2.7457900000e-01 -1.1393130000e+00 -1.3246750000e+00 -4.5058800000e-01 -2.5323930000e+00 -1.3119220000e+00  1.4191700000e-01
-ENERGY -1.526576020361e+02
-FORCES -4.4922000000e-03 -2.3340000000e-03  2.6067000000e-03  1.0700000000e-04 -1.5114000000e-03 -4.6374000000e-03 -2.9562000000e-03 -2.8565000000e-03  3.9381000000e-03  9.2914000000e-03  1.3480500000e-02  3.8198000000e-03 -2.4810000000e-03 -4.7272000000e-03 -5.2074000000e-03  5.3090000000e-04 -2.0514000000e-03 -5.1980000000e-04
-
-JOB 264
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5800000000e-01 -6.0776200000e-01  4.8527600000e-01  5.6774600000e-01  3.5172100000e-01 -6.8570300000e-01 -2.9106070000e+00 -1.2122560000e+00  1.2372180000e+00 -2.1458030000e+00 -1.7629740000e+00  1.4045970000e+00 -2.7144900000e+00 -7.7454000000e-01  4.0886100000e-01
-ENERGY -1.526564782306e+02
-FORCES  6.1387000000e-03  1.7220000000e-04 -6.0190000000e-04 -3.1176000000e-03  1.8782000000e-03 -2.2291000000e-03 -2.4936000000e-03 -1.6113000000e-03  3.1046000000e-03  6.1679000000e-03  1.5333000000e-03 -3.9506000000e-03 -2.7689000000e-03  7.7090000000e-04  5.2000000000e-04 -3.9263000000e-03 -2.7432000000e-03  3.1569000000e-03
-
-JOB 265
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4878000000e-02  5.1520900000e-01  8.0410300000e-01 -8.0595300000e-01 -5.0592300000e-01  1.0350500000e-01  5.7526900000e-01  1.9787790000e+00  1.7669660000e+00  1.1209070000e+00  2.4495650000e+00  1.1369890000e+00  2.1138500000e-01  2.6635300000e+00  2.3281580000e+00
-ENERGY -1.526606393667e+02
-FORCES -2.5440000000e-04  7.3685000000e-03  9.4462000000e-03 -3.6700000000e-05 -6.4114000000e-03 -7.0290000000e-03  2.0943000000e-03  2.3667000000e-03  9.2500000000e-04 -1.1183000000e-03  4.3830000000e-04 -4.5029000000e-03 -3.1481000000e-03 -1.7328000000e-03  4.3019000000e-03  2.4632000000e-03 -2.0293000000e-03 -3.1412000000e-03
-
-JOB 266
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7480400000e-01  5.4480600000e-01 -1.3819100000e-01 -1.7905000000e-02 -2.1029000000e-01  9.3364300000e-01 -1.1840530000e+00 -4.6443800000e-01  2.4621930000e+00 -1.7682370000e+00 -1.1079530000e+00  2.0611340000e+00 -7.2788300000e-01 -9.4994500000e-01  3.1495230000e+00
-ENERGY -1.526590273081e+02
-FORCES -7.2450000000e-03  1.6113000000e-03  1.3269000000e-02  1.5535000000e-03 -2.1627000000e-03 -1.3510000000e-03  4.9092000000e-03 -1.8391000000e-03 -6.6249000000e-03 -1.7078000000e-03 -3.5502000000e-03 -1.9666000000e-03  3.7247000000e-03  3.7822000000e-03  1.8867000000e-03 -1.2346000000e-03  2.1584000000e-03 -5.2133000000e-03
-
-JOB 267
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7333600000e-01 -8.0425600000e-01  2.1297300000e-01 -5.6876500000e-01  4.5612400000e-01 -6.2023300000e-01  1.3549970000e+00  1.8756560000e+00  1.3489270000e+00  6.7958300000e-01  1.2941240000e+00  9.9983100000e-01  1.8125190000e+00  1.3468810000e+00  2.0026110000e+00
-ENERGY -1.526583843904e+02
-FORCES  9.6190000000e-04  2.6498000000e-03  1.8856000000e-03  2.3612000000e-03  4.2075000000e-03 -1.8497000000e-03  2.9013000000e-03 -2.0723000000e-03  5.1140000000e-03 -6.2147000000e-03 -1.4276700000e-02 -5.9194000000e-03  1.3544000000e-03  8.2653000000e-03  2.1175000000e-03 -1.3641000000e-03  1.2263000000e-03 -1.3481000000e-03
-
-JOB 268
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3307000000e-01  4.2098200000e-01 -2.1213200000e-01 -1.3808700000e-01 -6.2917900000e-01 -7.0802300000e-01 -7.5640500000e-01 -2.4108560000e+00 -1.5779800000e+00 -1.2094250000e+00 -1.8635820000e+00 -2.2194580000e+00 -1.3763200000e+00 -2.4945100000e+00 -8.5345300000e-01
-ENERGY -1.526594785325e+02
-FORCES  2.8084000000e-03 -6.1633000000e-03 -5.3427000000e-03 -3.0263000000e-03 -1.7000000000e-03  1.5000000000e-06 -1.8228000000e-03  8.8753000000e-03  3.9031000000e-03 -6.3581000000e-03 -2.6786000000e-03  6.5000000000e-04  4.4274000000e-03 -2.8530000000e-04  5.1667000000e-03  3.9715000000e-03  1.9519000000e-03 -4.3786000000e-03
-
-JOB 269
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5900400000e-01 -4.2191800000e-01 -1.8165000000e-02 -6.2418600000e-01 -7.2512900000e-01 -2.8478000000e-02  2.5771590000e+00 -1.3610700000e+00  6.4552000000e-02  3.1036660000e+00 -1.7340270000e+00  7.7160600000e-01  3.2129810000e+00 -1.1337340000e+00 -6.1388800000e-01
-ENERGY -1.526617709991e+02
-FORCES  6.9215000000e-03 -7.0574000000e-03  5.4920000000e-04 -8.2460000000e-03  5.0500000000e-03 -1.8658000000e-03  1.7599000000e-03  2.1015000000e-03  2.6130000000e-04  3.3869000000e-03 -1.0500000000e-05  1.5297000000e-03 -1.1131000000e-03  1.2499000000e-03 -4.2943000000e-03 -2.7093000000e-03 -1.3335000000e-03  3.8200000000e-03
-
-JOB 270
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6553100000e-01  6.2963900000e-01  7.0170200000e-01  4.7936300000e-01  3.4739500000e-01 -7.5217000000e-01  1.3491750000e+00  4.5069700000e-01 -2.1781170000e+00  9.8055000000e-01  7.4658500000e-01 -3.0104620000e+00  1.8244650000e+00  1.2107320000e+00 -1.8424420000e+00
-ENERGY -1.526548049083e+02
-FORCES  8.4436000000e-03  2.1225000000e-03 -1.6077600000e-02  1.7947000000e-03 -5.4880000000e-04 -4.8791000000e-03 -4.1840000000e-04  4.3278000000e-03  9.8297000000e-03 -5.6609000000e-03 -1.2400000000e-04  4.3090000000e-03  2.9813000000e-03 -8.7570000000e-04  4.8241000000e-03 -7.1403000000e-03 -4.9018000000e-03  1.9939000000e-03
-
-JOB 271
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3424700000e-01 -8.8589000000e-02  8.9256000000e-01  6.3014200000e-01  5.7329800000e-01 -4.3644300000e-01  9.7328400000e-01 -1.0057000000e-01  2.4333830000e+00  9.8755300000e-01  5.4962300000e-01  3.1357200000e+00  1.7260290000e+00  1.2152900000e-01  1.8854070000e+00
-ENERGY -1.526520232174e+02
-FORCES  3.6887000000e-03  8.4260000000e-04  1.6876600000e-02  9.1348000000e-03  4.0610000000e-04 -7.3695000000e-03 -5.2400000000e-05 -2.1418000000e-03  4.2037000000e-03 -4.0227000000e-03  4.7653000000e-03 -6.5833000000e-03  1.9888000000e-03 -3.5329000000e-03 -3.9288000000e-03 -1.0737200000e-02 -3.3940000000e-04 -3.1987000000e-03
-
-JOB 272
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7016700000e-01 -4.9481300000e-01  2.7970400000e-01 -7.8400000000e-03  7.8557100000e-01  5.4685300000e-01  1.1105310000e+00 -3.0254510000e+00 -2.0733640000e+00  7.0642300000e-01 -2.3897790000e+00 -2.6639990000e+00  4.1522600000e-01 -3.6566810000e+00 -1.8880740000e+00
-ENERGY -1.526535474994e+02
-FORCES -2.6038000000e-03  8.1430000000e-04  4.0698000000e-03  2.7077000000e-03  2.1811000000e-03 -1.5389000000e-03  4.9300000000e-05 -3.3095000000e-03 -2.3508000000e-03 -4.1753000000e-03  1.5280000000e-03 -1.2479000000e-03  1.4517000000e-03 -3.6954000000e-03  1.5824000000e-03  2.5704000000e-03  2.4817000000e-03 -5.1460000000e-04
-
-JOB 273
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0831700000e-01  2.4158700000e-01 -8.7338900000e-01 -7.2660100000e-01 -6.0221500000e-01 -1.6006000000e-01  2.0648240000e+00 -1.8952010000e+00  5.7323400000e-01  1.8405880000e+00 -2.3465520000e+00 -2.4054300000e-01  1.3209230000e+00 -1.3161980000e+00  7.3936200000e-01
-ENERGY -1.526583207652e+02
-FORCES  5.6890000000e-04 -2.3230000000e-04 -5.5173000000e-03 -2.4028000000e-03 -2.1579000000e-03  4.0242000000e-03  5.8508000000e-03  1.2681000000e-03  1.0955000000e-03 -9.3600000000e-03  7.3139000000e-03 -3.6961000000e-03  5.6580000000e-04  1.3192000000e-03  1.8696000000e-03  4.7774000000e-03 -7.5110000000e-03  2.2240000000e-03
-
-JOB 274
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5354900000e-01  3.8685400000e-01 -4.4580300000e-01 -2.0953200000e-01 -7.7915600000e-01 -5.1501800000e-01 -2.6410540000e+00 -1.2776770000e+00  1.9516830000e+00 -2.9955750000e+00 -8.9084300000e-01  1.1511160000e+00 -1.8156820000e+00 -1.6787050000e+00  1.6793420000e+00
-ENERGY -1.526543801620e+02
-FORCES  3.8646000000e-03 -1.4160000000e-04 -4.5006000000e-03 -3.4193000000e-03 -1.7606000000e-03  1.8158000000e-03 -3.4730000000e-04  2.7627000000e-03  3.5651000000e-03  3.7394000000e-03  2.3010000000e-03 -4.2748000000e-03  4.3010000000e-04 -2.7058000000e-03  2.8979000000e-03 -4.2674000000e-03 -4.5570000000e-04  4.9650000000e-04
-
-JOB 275
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7724200000e-01 -8.2974000000e-01 -1.8990000000e-03  6.1077400000e-01  6.2726700000e-01  3.8694000000e-01  1.5031350000e+00 -2.2950030000e+00 -2.1746500000e-01  1.7743160000e+00 -2.8208240000e+00  5.3500100000e-01  1.0502500000e+00 -2.9129110000e+00 -7.9132600000e-01
-ENERGY -1.526609931599e+02
-FORCES  1.0281400000e-02 -1.0189700000e-02 -2.3120000000e-04 -6.9334000000e-03  7.4575000000e-03  3.0030000000e-04 -1.4115000000e-03 -2.1504000000e-03 -5.1970000000e-04 -2.5420000000e-03 -7.0940000000e-04  5.7420000000e-04 -1.5547000000e-03  2.4068000000e-03 -4.2540000000e-03  2.1602000000e-03  3.1851000000e-03  4.1305000000e-03
-
-JOB 276
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2833400000e-01 -4.7749000000e-01  4.5804000000e-02  6.6456000000e-01 -6.8145800000e-01 -1.0103000000e-01 -2.0418180000e+00 -1.7622670000e+00  4.1397600000e-01 -2.6814160000e+00 -1.7157920000e+00  1.1246000000e+00 -1.5600010000e+00 -2.5730550000e+00  5.7740100000e-01
-ENERGY -1.526589598758e+02
-FORCES -1.0607200000e-02 -1.1053500000e-02  1.8096000000e-03  7.0844000000e-03  5.4755000000e-03 -1.9323000000e-03 -2.0968000000e-03  9.8130000000e-04  6.7310000000e-04  4.0403000000e-03  1.4003000000e-03  3.5084000000e-03  3.4652000000e-03 -1.3922000000e-03 -3.3912000000e-03 -1.8860000000e-03  4.5886000000e-03 -6.6760000000e-04
-
-JOB 277
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3065000000e-01 -2.1146000000e-01 -7.3534000000e-02 -1.2145100000e-01  7.5295300000e-01 -5.7839700000e-01 -1.2449840000e+00  2.2126300000e+00 -1.1500010000e+00 -1.8224970000e+00  1.8426680000e+00 -1.8177140000e+00 -1.7986260000e+00  2.2967060000e+00 -3.7370000000e-01
-ENERGY -1.526615593498e+02
-FORCES -1.8326000000e-03  8.7876000000e-03 -5.2500000000e-03 -3.2185000000e-03  2.1557000000e-03 -9.7900000000e-04  4.3039000000e-03 -9.4351000000e-03  4.2986000000e-03 -5.2541000000e-03 -2.3354000000e-03  2.9950000000e-03  3.3808000000e-03  1.1929000000e-03  3.6850000000e-03  2.6205000000e-03 -3.6580000000e-04 -4.7497000000e-03
-
-JOB 278
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9291800000e-01  2.0603800000e-01  6.2741200000e-01  4.1401200000e-01 -7.8881200000e-01  3.5014600000e-01  2.1388780000e+00  1.5170980000e+00 -7.0246600000e-01  2.6343320000e+00  7.8691200000e-01 -3.3154100000e-01  1.2259700000e+00  1.3176770000e+00 -4.9494900000e-01
-ENERGY -1.526574937488e+02
-FORCES  4.8515000000e-03 -4.4560000000e-04  1.5789000000e-03  4.4274000000e-03 -7.1800000000e-04 -3.0596000000e-03 -1.8097000000e-03  4.3301000000e-03 -1.0788000000e-03 -1.1648500000e-02 -1.0709200000e-02  5.0427000000e-03 -2.6660000000e-04  1.1962000000e-03 -8.5230000000e-04  4.4458000000e-03  6.3465000000e-03 -1.6309000000e-03
-
-JOB 279
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5316300000e-01 -5.5189300000e-01  2.1069100000e-01 -4.9492900000e-01  5.2936000000e-02  8.1760300000e-01 -9.0265000000e-01  2.1960500000e+00 -1.2389640000e+00 -1.5504870000e+00  2.4928620000e+00 -5.9987000000e-01 -4.3034500000e-01  1.4929420000e+00 -7.9309600000e-01
-ENERGY -1.526577111246e+02
-FORCES -4.1600000000e-04  3.7672000000e-03 -1.1988000000e-03 -4.8731000000e-03  2.0362000000e-03  3.5570000000e-04  2.8960000000e-03  1.4103000000e-03 -4.7648000000e-03  5.1075000000e-03 -1.2084000000e-02  7.0508000000e-03  2.2108000000e-03 -2.2955000000e-03 -6.3460000000e-04 -4.9253000000e-03  7.1658000000e-03 -8.0830000000e-04
-
-JOB 280
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4349500000e-01  5.9596100000e-01  7.0835900000e-01  4.9916300000e-01  3.0914900000e-01 -7.5597300000e-01 -1.0062040000e+00  2.6694760000e+00 -1.0571650000e+00 -1.6279690000e+00  3.2963740000e+00 -1.4268120000e+00 -1.4791810000e+00  2.2616730000e+00 -3.3175400000e-01
-ENERGY -1.526572096040e+02
-FORCES  4.2194000000e-03  5.4276000000e-03 -3.0672000000e-03 -2.9146000000e-03 -2.1553000000e-03 -2.1632000000e-03 -7.9780000000e-04 -3.5706000000e-03  3.8581000000e-03 -4.9531000000e-03 -1.2053000000e-03  1.5753000000e-03  2.2303000000e-03 -3.1851000000e-03  1.7245000000e-03  2.2158000000e-03  4.6887000000e-03 -1.9275000000e-03
-
-JOB 281
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2721800000e-01 -5.1884000000e-02 -4.7880100000e-01 -3.8709100000e-01  8.2981700000e-01 -2.7892000000e-01 -1.6537850000e+00 -1.9062520000e+00  6.8045700000e-01 -1.1046400000e+00 -2.4638390000e+00  1.2316090000e+00 -1.0909430000e+00 -1.1668170000e+00  4.5094200000e-01
-ENERGY -1.526583542726e+02
-FORCES -5.8481000000e-03 -8.7404000000e-03  9.3400000000e-05 -3.9321000000e-03  2.3665000000e-03  2.3358000000e-03  2.7046000000e-03 -4.8292000000e-03  7.3270000000e-04  1.4038300000e-02  1.2758100000e-02 -3.6640000000e-03 -4.5530000000e-04  1.5560000000e-03 -1.9475000000e-03 -6.5074000000e-03 -3.1111000000e-03  2.4496000000e-03
-
-JOB 282
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5306300000e-01 -3.8050500000e-01 -8.6488100000e-01 -7.8078100000e-01  5.2625000000e-01  1.7225900000e-01 -6.5939400000e-01 -6.7222600000e-01 -2.6092890000e+00 -1.1846700000e-01 -9.2536700000e-01 -3.3573200000e+00 -1.1536750000e+00  8.7625000000e-02 -2.9167670000e+00
-ENERGY -1.526599576293e+02
-FORCES -4.8739000000e-03 -3.2042000000e-03 -1.2115900000e-02  1.5663000000e-03  2.7723000000e-03  8.9351000000e-03  2.0256000000e-03 -9.8690000000e-04 -1.3979000000e-03  2.1320000000e-03  3.2414000000e-03 -1.1990000000e-04 -3.4018000000e-03  2.0256000000e-03  2.9226000000e-03  2.5518000000e-03 -3.8483000000e-03  1.7761000000e-03
-
-JOB 283
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9678400000e-01  4.3211000000e-01 -3.0765000000e-01 -2.8346400000e-01 -5.3617000000e-01 -7.4054100000e-01 -9.8365200000e-01 -2.2118930000e+00 -1.4667690000e+00 -6.0135200000e-01 -3.0619130000e+00 -1.6848210000e+00 -1.3447780000e+00 -1.8919870000e+00 -2.2934980000e+00
-ENERGY -1.526584361627e+02
-FORCES -1.0603000000e-03 -7.7506000000e-03 -5.6769000000e-03 -2.7817000000e-03 -2.3377000000e-03  1.4420000000e-04  1.5137000000e-03  9.8353000000e-03  1.3742000000e-03  1.2609000000e-03 -4.0317000000e-03 -7.6620000000e-04 -2.7834000000e-03  3.8741000000e-03 -1.5360000000e-04  3.8509000000e-03  4.1060000000e-04  5.0782000000e-03
-
-JOB 284
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8097500000e-01 -2.9294000000e-01  8.2781400000e-01 -5.9655400000e-01 -7.0475400000e-01 -2.5234500000e-01 -1.8640190000e+00 -1.6195070000e+00 -1.3070680000e+00 -1.3374090000e+00 -1.9912370000e+00 -2.0146910000e+00 -2.4549080000e+00 -2.3274250000e+00 -1.0502900000e+00
-ENERGY -1.526606718836e+02
-FORCES -7.6892000000e-03 -6.8782000000e-03 -2.4133000000e-03 -2.1733000000e-03 -2.5610000000e-04 -2.8631000000e-03  9.1236000000e-03  4.7109000000e-03  3.9108000000e-03 -1.5860000000e-04 -1.9806000000e-03 -1.8826000000e-03 -2.5889000000e-03  1.3708000000e-03  4.9654000000e-03  3.4864000000e-03  3.0333000000e-03 -1.7172000000e-03
-
-JOB 285
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2777000000e-01  5.4373300000e-01  3.0155800000e-01  4.1623700000e-01 -7.9542300000e-01 -3.3208600000e-01 -1.8188030000e+00  4.3008000000e-02  2.0361400000e+00 -2.2387610000e+00  8.0175200000e-01  1.6309560000e+00 -1.1187970000e+00 -1.9661000000e-01  1.4288450000e+00
-ENERGY -1.526600290550e+02
-FORCES  8.6960000000e-04  3.6030000000e-04  2.1568000000e-03 -4.2732000000e-03 -3.6046000000e-03 -1.2551000000e-03 -1.9532000000e-03  4.3481000000e-03  2.9565000000e-03  8.2440000000e-03  1.2426000000e-03 -1.4044300000e-02  8.0510000000e-04 -1.2538000000e-03  2.0379000000e-03 -3.6922000000e-03 -1.0925000000e-03  8.1482000000e-03
-
-JOB 286
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1572000000e-01  5.8198700000e-01 -7.2868900000e-01 -7.7919200000e-01 -5.4481000000e-01  1.1078900000e-01 -1.6603630000e+00 -1.9911590000e+00 -5.0199900000e-01 -2.5200200000e+00 -1.6538640000e+00 -2.5009800000e-01 -1.5207640000e+00 -2.7447180000e+00  7.1492000000e-02
-ENERGY -1.526544858930e+02
-FORCES -1.1217200000e-02 -1.3605800000e-02 -7.1102000000e-03 -1.9840000000e-04 -1.5581000000e-03  2.3462000000e-03 -1.2230000000e-04  7.2801000000e-03  5.2532000000e-03  4.6035000000e-03  7.8600000000e-04  1.8229000000e-03  8.1862000000e-03  1.8874000000e-03  2.0980000000e-04 -1.2517000000e-03  5.2104000000e-03 -2.5219000000e-03
-
-JOB 287
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3919000000e-01  2.9362000000e-01  8.7909400000e-01 -6.9305600000e-01 -6.1304100000e-01 -2.4512300000e-01 -1.2437690000e+00  2.1076510000e+00 -1.5268660000e+00 -2.0520720000e+00  2.3557100000e+00 -1.0781510000e+00 -8.4419600000e-01  1.4512490000e+00 -9.5615500000e-01
-ENERGY -1.526590931233e+02
-FORCES -1.4956000000e-03 -4.1038000000e-03  3.1185000000e-03 -5.0810000000e-04  1.3590000000e-04 -6.4977000000e-03  2.7288000000e-03  6.0246000000e-03  1.1093000000e-03  4.4075000000e-03 -6.6991000000e-03  6.5929000000e-03  3.1331000000e-03 -2.1916000000e-03 -3.6900000000e-04 -8.2657000000e-03  6.8341000000e-03 -3.9540000000e-03
-
-JOB 288
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1761500000e-01 -5.2075900000e-01  3.6065400000e-01 -3.8844000000e-01  4.3249700000e-01  7.6045600000e-01  2.4564170000e+00  1.4443820000e+00 -3.2598800000e-01  2.9524080000e+00  8.4855400000e-01  2.3545100000e-01  1.5416600000e+00  1.1987820000e+00 -1.8766500000e-01
-ENERGY -1.526558298667e+02
-FORCES  1.6670000000e-04 -3.2516000000e-03  3.8685000000e-03 -8.9390000000e-04  6.9701000000e-03 -2.0696000000e-03  4.5293000000e-03 -9.1070000000e-04 -4.7821000000e-03 -8.9900000000e-03 -5.5829000000e-03  1.0204000000e-03 -3.4632000000e-03  6.7450000000e-04 -1.6246000000e-03  8.6510000000e-03  2.1006000000e-03  3.5873000000e-03
-
-JOB 289
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4742500000e-01  2.3960000000e-02 -5.9750600000e-01 -5.8489600000e-01  6.8699000000e-01 -3.1964600000e-01  3.1343000000e-01 -2.0152560000e+00  3.5266170000e+00  3.5136900000e-01 -2.7576240000e+00  4.1296780000e+00 -3.5266200000e-01 -1.4373960000e+00  3.8989490000e+00
-ENERGY -1.526530361380e+02
-FORCES  1.3889000000e-03  2.4132000000e-03 -3.7180000000e-03 -3.2573000000e-03  1.0680000000e-04  2.1687000000e-03  2.2172000000e-03 -2.8651000000e-03  1.6471000000e-03 -3.0889000000e-03 -1.9800000000e-05  3.2784000000e-03  9.2000000000e-06  2.9810000000e-03 -2.6226000000e-03  2.7309000000e-03 -2.6161000000e-03 -7.5370000000e-04
-
-JOB 290
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8145200000e-01 -6.4647000000e-01  1.8420500000e-01 -8.1884100000e-01 -4.9296800000e-01  5.2091000000e-02 -2.0573010000e+00 -1.8339530000e+00 -2.1557500000e-01 -3.0000210000e+00 -1.6808910000e+00 -2.7947600000e-01 -1.9735000000e+00 -2.5611130000e+00  4.0122800000e-01
-ENERGY -1.526596629063e+02
-FORCES -8.7835000000e-03 -1.1000200000e-02 -1.6054000000e-03 -1.9363000000e-03  1.4278000000e-03  8.7800000000e-05  6.2976000000e-03  6.5052000000e-03  2.2740000000e-03 -2.9380000000e-04  2.1760000000e-04  1.3549000000e-03  4.9465000000e-03 -1.3515000000e-03  9.9140000000e-04 -2.3060000000e-04  4.2011000000e-03 -3.1027000000e-03
-
-JOB 291
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3437000000e-02  3.3197300000e-01  8.9619800000e-01  5.0441000000e-01 -8.1337600000e-01  1.4895000000e-02  4.8748200000e-01  1.0513360000e+00  2.4387730000e+00  9.3485700000e-01  3.8365600000e-01  2.9586680000e+00  1.1092580000e+00  1.7777610000e+00  2.3947950000e+00
-ENERGY -1.526591681452e+02
-FORCES  3.5322000000e-03  5.1225000000e-03  1.5253800000e-02 -1.5291000000e-03 -5.3777000000e-03 -8.5669000000e-03 -9.3310000000e-04  2.5138000000e-03  1.3875000000e-03  3.4331000000e-03 -7.4760000000e-04 -5.0112000000e-03 -1.8375000000e-03  3.0002000000e-03 -4.4161000000e-03 -2.6656000000e-03 -4.5113000000e-03  1.3528000000e-03
-
-JOB 292
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3837800000e-01  2.3971500000e-01  6.7174500000e-01  5.8610400000e-01 -6.1869700000e-01  4.3580700000e-01  2.2532860000e+00  1.5100070000e+00 -8.8422800000e-01  1.4471370000e+00  1.0137560000e+00 -7.4248500000e-01  2.2433460000e+00  2.1833540000e+00 -2.0398000000e-01
-ENERGY -1.526603343499e+02
-FORCES -8.1500000000e-05 -1.8300000000e-04  4.1704000000e-03  3.5867000000e-03 -1.9036000000e-03 -2.4454000000e-03 -2.5077000000e-03  5.0103000000e-03 -2.6273000000e-03 -1.0787900000e-02 -2.3383000000e-03  4.6661000000e-03  9.4357000000e-03  1.3920000000e-03 -2.1158000000e-03  3.5460000000e-04 -1.9774000000e-03 -1.6480000000e-03
-
-JOB 293
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1804800000e-01 -6.2744900000e-01 -8.3348000000e-02 -1.4170100000e-01  3.2219200000e-01 -8.9013800000e-01  1.6744320000e+00 -1.9385670000e+00 -8.6462300000e-01  2.2767500000e+00 -1.6942520000e+00 -1.5673010000e+00  2.1639140000e+00 -2.5702930000e+00 -3.3778200000e-01
-ENERGY -1.526587397882e+02
-FORCES  9.0178000000e-03 -1.1448200000e-02 -7.8199000000e-03 -3.6973000000e-03  6.1517000000e-03  4.3672000000e-03  6.6290000000e-04 -1.4530000000e-04  2.0270000000e-03 -6.0220000000e-04  2.8243000000e-03  6.1040000000e-04 -3.2618000000e-03 -1.3811000000e-03  3.8301000000e-03 -2.1193000000e-03  3.9986000000e-03 -3.0148000000e-03
-
-JOB 294
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7995500000e-01 -2.5724400000e-01  9.0425300000e-01  8.3968900000e-01  3.1951600000e-01 -3.3024900000e-01 -2.0542560000e+00  1.6909920000e+00 -6.4203300000e-01 -1.9798310000e+00  2.1110870000e+00 -1.4988950000e+00 -1.2852370000e+00  1.1238840000e+00 -5.8518600000e-01
-ENERGY -1.526598520880e+02
-FORCES -1.4617000000e-03  2.8227000000e-03  3.9305000000e-03  1.1924000000e-03  7.5430000000e-04 -4.8920000000e-03 -5.2420000000e-03 -6.2240000000e-04  1.3548000000e-03  9.2987000000e-03 -8.3830000000e-03  2.0409000000e-03  1.9043000000e-03 -2.1705000000e-03  2.7052000000e-03 -5.6917000000e-03  7.5989000000e-03 -5.1393000000e-03
-
-JOB 295
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8496400000e-01 -6.6859900000e-01  5.6490000000e-03 -1.1606500000e-01  2.3245500000e-01  9.2126300000e-01 -1.8442280000e+00 -1.8832450000e+00 -2.0249300000e-01 -2.7115290000e+00 -1.5640940000e+00  4.6833000000e-02 -1.2598850000e+00 -1.1430120000e+00 -3.8695000000e-02
-ENERGY -1.526572508150e+02
-FORCES -6.3610000000e-04 -6.2557000000e-03  1.0862000000e-03 -6.6488000000e-03  3.0197000000e-03  6.7650000000e-04 -2.6451000000e-03 -4.0667000000e-03 -5.9698000000e-03  1.0861400000e-02  1.5548300000e-02 -3.9180000000e-04  3.7982000000e-03  9.7330000000e-04  2.7370000000e-04 -4.7296000000e-03 -9.2189000000e-03  4.3252000000e-03
-
-JOB 296
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1137600000e-01  2.5889700000e-01 -5.8578900000e-01  4.3447500000e-01 -4.6855100000e-01  7.1268800000e-01 -1.8272910000e+00  1.7737690000e+00  6.2289000000e-01 -1.9045330000e+00  2.1068200000e+00  1.5169500000e+00 -9.7275500000e-01  1.3430870000e+00  6.0021800000e-01
-ENERGY -1.526571368104e+02
-FORCES -2.5911000000e-03  2.1423000000e-03  5.8280000000e-04 -4.0141000000e-03 -8.0620000000e-04  4.3591000000e-03 -2.4649000000e-03  4.3762000000e-03 -3.2978000000e-03  1.1228800000e-02 -1.0787000000e-02 -3.3941000000e-03  2.4140000000e-03 -3.0873000000e-03 -2.5096000000e-03 -4.5727000000e-03  8.1619000000e-03  4.2597000000e-03
-
-JOB 297
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2767700000e-01 -4.7918600000e-01 -3.9532000000e-02 -7.1908000000e-02  4.2566300000e-01 -8.5432500000e-01 -7.0930700000e-01 -2.6449700000e+00  2.0382710000e+00 -7.4296000000e-02 -3.2487870000e+00  1.6530480000e+00 -1.2283810000e+00 -2.3365600000e+00  1.2955200000e+00
-ENERGY -1.526553471908e+02
-FORCES  4.6047000000e-03  1.2211000000e-03 -2.7525000000e-03 -3.8607000000e-03  1.5535000000e-03 -9.1340000000e-04  8.4400000000e-05 -2.2705000000e-03  3.8197000000e-03 -5.1110000000e-04  8.4610000000e-04 -5.2459000000e-03 -1.8007000000e-03  2.6990000000e-03  1.3408000000e-03  1.4834000000e-03 -4.0492000000e-03  3.7513000000e-03
-
-JOB 298
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4455900000e-01 -3.7568100000e-01  2.4862900000e-01 -5.9289600000e-01 -7.5020800000e-01 -4.3513000000e-02  2.3754680000e+00 -1.7035880000e+00 -1.8886100000e-01  2.4955080000e+00 -1.9946720000e+00  7.1507100000e-01  2.7554400000e+00 -8.2530600000e-01 -2.1062600000e-01
-ENERGY -1.526556071816e+02
-FORCES  5.2494000000e-03 -1.0958000000e-02 -1.8861000000e-03 -2.3550000000e-04  7.2893000000e-03  2.6383000000e-03  4.9810000000e-04  3.2402000000e-03  8.4600000000e-04  4.2501000000e-03  1.0179000000e-03  7.1990000000e-04 -3.1490000000e-03  3.1353000000e-03 -4.6554000000e-03 -6.6131000000e-03 -3.7246000000e-03  2.3373000000e-03
-
-JOB 299
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2639700000e-01  2.1304900000e-01  1.1238900000e-01  1.2287600000e-01 -8.0734200000e-01  4.9933200000e-01 -1.9603760000e+00 -6.5855300000e-01 -2.7517280000e+00 -1.2579200000e+00 -8.6490000000e-03 -2.7720810000e+00 -2.5457310000e+00 -3.5756100000e-01 -2.0567490000e+00
-ENERGY -1.526542111547e+02
-FORCES -2.9223000000e-03 -4.4190000000e-03  2.7999000000e-03  3.0210000000e-03 -1.3170000000e-04 -1.7247000000e-03 -4.6200000000e-04  3.8674000000e-03 -1.4449000000e-03  2.7780000000e-03  3.9421000000e-03  3.1603000000e-03 -4.6441000000e-03 -2.1231000000e-03 -1.2249000000e-03  2.2294000000e-03 -1.1357000000e-03 -1.5658000000e-03
-
-JOB 300
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3890400000e-01  1.8879500000e-01  6.8730600000e-01 -4.7865600000e-01 -5.3665300000e-01 -6.3176200000e-01 -5.7879000000e-01 -1.4030000000e+00 -2.3327760000e+00 -8.3811700000e-01 -9.7617900000e-01 -3.1493570000e+00  1.4000500000e-01 -1.9834250000e+00 -2.5831180000e+00
-ENERGY -1.526610101522e+02
-FORCES -3.7518000000e-03 -5.1183000000e-03 -7.5099000000e-03  1.0528000000e-03 -1.2652000000e-03 -3.5777000000e-03  1.0033000000e-03  4.4162000000e-03  9.4939000000e-03  4.0837000000e-03  2.1800000000e-03 -1.2212000000e-03  1.5145000000e-03 -2.8519000000e-03  3.0363000000e-03 -3.9025000000e-03  2.6392000000e-03 -2.2120000000e-04
-
-JOB 301
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7309800000e-01 -3.9161600000e-01  2.3830000000e-02 -2.6644000000e-02  6.8654200000e-01  6.6647000000e-01  1.6707400000e-01 -9.2688200000e-01  3.5426120000e+00  9.9001000000e-01 -4.3799800000e-01  3.5418600000e+00 -4.8705800000e-01 -2.9612500000e-01  3.2417980000e+00
-ENERGY -1.526524044006e+02
-FORCES -3.5851000000e-03 -1.8640000000e-04  2.7668000000e-03  3.4319000000e-03  2.4196000000e-03 -9.1000000000e-05 -2.4700000000e-05 -2.6451000000e-03 -1.6610000000e-03  1.7182000000e-03  3.8181000000e-03 -1.8955000000e-03 -3.8930000000e-03 -1.4895000000e-03  4.1530000000e-04  2.3527000000e-03 -1.9166000000e-03  4.6540000000e-04
-
-JOB 302
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6121700000e-01 -7.3212300000e-01 -2.5546800000e-01  6.0827900000e-01  6.7507400000e-01  3.0083800000e-01  2.3385920000e+00 -1.4294150000e+00 -4.9268200000e-01  2.4990410000e+00 -2.1982210000e+00  5.4515000000e-02  2.9429610000e+00 -1.5281100000e+00 -1.2283650000e+00
-ENERGY -1.526600022351e+02
-FORCES  1.3216500000e-02 -4.0528000000e-03 -2.1538000000e-03 -7.3357000000e-03  8.7520000000e-04  2.4126000000e-03 -2.8948000000e-03 -2.4990000000e-04 -2.0520000000e-04  3.7890000000e-04 -3.8100000000e-04 -1.1836000000e-03 -1.3041000000e-03  3.9765000000e-03 -3.3596000000e-03 -2.0608000000e-03 -1.6800000000e-04  4.4895000000e-03
-
-JOB 303
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1800800000e-01 -6.2944900000e-01  5.0169000000e-01 -7.0035000000e-01  2.6413000000e-01  5.9663800000e-01 -2.9036040000e+00 -1.7737410000e+00  5.4462700000e-01 -2.1276200000e+00 -2.3220350000e+00  4.2863100000e-01 -2.8517940000e+00 -1.1316650000e+00 -1.6338800000e-01
-ENERGY -1.526566664443e+02
-FORCES -1.7500000000e-05 -5.3430000000e-04  6.1098000000e-03 -2.4355000000e-03  1.9477000000e-03 -2.6180000000e-03  2.9775000000e-03 -9.8020000000e-04 -4.1215000000e-03  3.7630000000e-03 -4.8230000000e-04 -5.6822000000e-03 -3.1344000000e-03  1.7548000000e-03  1.9608000000e-03 -1.1532000000e-03 -1.7058000000e-03  4.3511000000e-03
-
-JOB 304
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5971200000e-01  4.2076600000e-01  9.0690000000e-03 -5.9446100000e-01  6.7568900000e-01 -3.2602500000e-01 -1.9013170000e+00  1.6155110000e+00 -9.4865400000e-01 -1.8950660000e+00  2.2103520000e+00 -1.6985580000e+00 -2.6818580000e+00  1.0763920000e+00 -1.0764750000e+00
-ENERGY -1.526600611627e+02
-FORCES -9.5272000000e-03  1.1301000000e-02 -5.5968000000e-03 -3.0966000000e-03  1.6380000000e-04 -1.0244000000e-03  6.0286000000e-03 -6.4370000000e-03  3.9935000000e-03  3.5912000000e-03 -5.5861000000e-03 -5.4610000000e-04 -1.0563000000e-03 -3.1582000000e-03  3.4954000000e-03  4.0603000000e-03  3.7165000000e-03 -3.2160000000e-04
-
-JOB 305
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1464700000e-01  7.9698400000e-01 -3.3032800000e-01 -7.2317200000e-01 -6.1617800000e-01  1.1653000000e-01  6.7980300000e-01  3.1134160000e+00 -3.6291300000e-01 -1.9260000000e-02  3.0951950000e+00  2.9070100000e-01  2.8128200000e-01  3.5261900000e+00 -1.1290920000e+00
-ENERGY -1.526541957442e+02
-FORCES -2.4853000000e-03  2.0280000000e-03 -2.1382000000e-03 -1.8832000000e-03 -4.6039000000e-03  2.8457000000e-03  2.9593000000e-03  3.3308000000e-03 -4.8120000000e-04 -1.8261000000e-03  4.2368000000e-03  8.7960000000e-04  2.0351000000e-03 -1.8178000000e-03 -4.6966000000e-03  1.2002000000e-03 -3.1738000000e-03  3.5907000000e-03
-
-JOB 306
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7546400000e-01 -3.4996900000e-01 -7.5345000000e-01  6.4422800000e-01  5.3606000000e-01  4.6243100000e-01  1.3188800000e+00  1.7989510000e+00  1.5608070000e+00  5.1034800000e-01  2.1134270000e+00  1.9652970000e+00  1.7725610000e+00  1.3322060000e+00  2.2626290000e+00
-ENERGY -1.526609606260e+02
-FORCES  8.6873000000e-03  9.4225000000e-03  5.7406000000e-03  1.0050000000e-04  1.8290000000e-03  3.1987000000e-03 -5.8534000000e-03 -8.6002000000e-03 -4.7766000000e-03 -4.7478000000e-03 -1.3289000000e-03  2.3630000000e-03  4.9858000000e-03 -2.6648000000e-03 -1.9287000000e-03 -3.1724000000e-03  1.3424000000e-03 -4.5971000000e-03
-
-JOB 307
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4009500000e-01 -5.5345800000e-01 -2.4935100000e-01 -7.7156300000e-01 -5.4103800000e-01 -1.6792700000e-01 -1.8037640000e+00 -1.8133450000e+00 -7.7674700000e-01 -2.7250870000e+00 -1.5595840000e+00 -7.2196800000e-01 -1.6652840000e+00 -2.0160960000e+00 -1.7019210000e+00
-ENERGY -1.526587190318e+02
-FORCES -1.0305900000e-02 -1.4852600000e-02 -5.0257000000e-03 -1.5595000000e-03  1.5994000000e-03 -2.7430000000e-04  3.4194000000e-03  7.6239000000e-03  2.9777000000e-03  3.7078000000e-03  4.9284000000e-03 -2.0566000000e-03  5.8772000000e-03 -1.6590000000e-04 -6.7060000000e-04 -1.1389000000e-03  8.6680000000e-04  5.0495000000e-03
-
-JOB 308
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5486800000e-01  4.9540200000e-01  7.3815800000e-01  7.6865000000e-01 -2.5109000000e-01 -5.1221300000e-01 -2.9951800000e+00 -5.8220800000e-01 -7.7696300000e-01 -2.9818860000e+00 -1.1766860000e+00 -2.6863000000e-02 -2.2369870000e+00 -8.4026000000e-01 -1.3011620000e+00
-ENERGY -1.526549291865e+02
-FORCES  3.9170000000e-03  3.0360000000e-03  2.2460000000e-03 -9.9890000000e-04 -2.5425000000e-03 -3.1426000000e-03 -4.4238000000e-03  5.4930000000e-04  1.5890000000e-03  8.0639000000e-03 -1.7502000000e-03  2.8050000000e-03 -1.8157000000e-03  1.5303000000e-03 -2.6231000000e-03 -4.7426000000e-03 -8.2280000000e-04 -8.7430000000e-04
-
-JOB 309
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1350800000e-01  4.1047200000e-01 -6.0938700000e-01 -5.0396600000e-01 -6.0853500000e-01 -5.4031000000e-01 -1.2401690000e+00 -2.7119790000e+00  2.4344240000e+00 -2.0366840000e+00 -2.1821990000e+00  2.4680240000e+00 -5.4146200000e-01 -2.1115760000e+00  2.6943390000e+00
-ENERGY -1.526562508725e+02
-FORCES  5.6540000000e-04 -1.2152000000e-03 -5.3164000000e-03 -2.5326000000e-03 -1.7507000000e-03  2.4456000000e-03  2.0013000000e-03  3.4214000000e-03  1.9129000000e-03  4.4730000000e-04  5.7216000000e-03  1.2408000000e-03  2.6955000000e-03 -2.6115000000e-03 -3.2980000000e-04 -3.1769000000e-03 -3.5657000000e-03  4.6900000000e-05
-
-JOB 310
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5324400000e-01  6.9043500000e-01 -1.1315200000e-01  8.2575600000e-01  4.6852800000e-01  1.2182000000e-01  1.2173860000e+00 -8.3814500000e-01 -2.9471090000e+00  1.7844620000e+00 -1.1453490000e+00 -2.2398030000e+00  6.2248700000e-01 -2.1796100000e-01 -2.5255660000e+00
-ENERGY -1.526563073411e+02
-FORCES -4.9760000000e-04  4.7204000000e-03  3.4948000000e-03  3.6184000000e-03 -3.3298000000e-03 -7.7720000000e-04 -3.5289000000e-03 -2.9315000000e-03 -2.4418000000e-03 -2.5475000000e-03  2.8700000000e-05  8.0257000000e-03 -8.6700000000e-05  1.4503000000e-03 -3.3705000000e-03  3.0423000000e-03  6.1900000000e-05 -4.9309000000e-03
-
-JOB 311
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0562400000e-01  3.5184800000e-01  5.4270700000e-01 -1.5483300000e-01  6.7571900000e-01 -6.6004800000e-01  1.8664080000e+00  4.5726000000e-02  2.2363660000e+00  1.2289870000e+00 -5.5239800000e-01  2.6264620000e+00  1.4629540000e+00  9.1028000000e-01  2.3138450000e+00
-ENERGY -1.526569005914e+02
-FORCES  6.6815000000e-03  9.6180000000e-04  2.0866000000e-03 -8.0436000000e-03  3.9559000000e-03 -2.3864000000e-03  1.7488000000e-03 -1.7322000000e-03  3.7375000000e-03 -4.7755000000e-03 -2.0189000000e-03  4.8301000000e-03  3.7124000000e-03  3.7806000000e-03 -1.9668000000e-03  6.7640000000e-04 -4.9471000000e-03 -6.3011000000e-03
-
-JOB 312
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4462100000e-01  6.2023800000e-01  3.4058900000e-01  7.5320700000e-01  9.2052000000e-02  5.8347000000e-01  1.9960570000e+00  2.0158200000e-01  2.0347260000e+00  1.2822040000e+00  6.5136000000e-02  2.6576450000e+00  2.4498750000e+00 -6.4054700000e-01  2.0015570000e+00
-ENERGY -1.526599425985e+02
-FORCES  8.1395000000e-03  4.4543000000e-03  7.7908000000e-03  2.1502000000e-03 -2.4161000000e-03  2.0080000000e-04 -8.8945000000e-03 -3.2662000000e-03 -5.1847000000e-03 -2.9680000000e-04 -4.3997000000e-03  3.5191000000e-03  2.3976000000e-03  1.0714000000e-03 -5.8413000000e-03 -3.4961000000e-03  4.5564000000e-03 -4.8470000000e-04
-
-JOB 313
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3530000000e-02  9.2387800000e-01 -2.3223600000e-01  3.0861000000e-01 -4.7399800000e-01 -7.7221600000e-01  5.0243500000e-01 -1.6863790000e+00  1.8990270000e+00 -2.3756200000e-01 -2.2934620000e+00  1.9082780000e+00  3.1997400000e-01 -1.0967260000e+00  1.1674200000e+00
-ENERGY -1.526569072185e+02
-FORCES  4.0561000000e-03 -4.0721000000e-03  9.5346000000e-03 -5.0460000000e-04 -5.2740000000e-03 -1.6180000000e-03 -1.5063000000e-03  1.9279000000e-03  6.0769000000e-03 -5.5579000000e-03  1.3667800000e-02 -1.1773000000e-02  1.7583000000e-03  2.3384000000e-03 -1.8485000000e-03  1.7544000000e-03 -8.5880000000e-03 -3.7190000000e-04
-
-JOB 314
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0085700000e-01 -6.1371400000e-01  2.1996900000e-01  3.9823600000e-01  2.2125500000e-01  8.4183500000e-01 -2.1686560000e+00 -1.5942700000e+00  4.2795100000e-01 -2.3306720000e+00 -2.3365730000e+00 -1.5425900000e-01 -2.5554020000e+00 -1.8557970000e+00  1.2635730000e+00
-ENERGY -1.526603022183e+02
-FORCES -1.0637400000e-02 -7.7626000000e-03  4.2396000000e-03  8.1816000000e-03  5.0119000000e-03 -1.6874000000e-03 -2.1455000000e-03 -1.2599000000e-03 -1.7184000000e-03  2.6430000000e-03  2.5560000000e-04 -3.7920000000e-04  1.4600000000e-04  3.3415000000e-03  4.0470000000e-03  1.8123000000e-03  4.1350000000e-04 -4.5016000000e-03
-
-JOB 315
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7327300000e-01  6.7536900000e-01 -8.2535000000e-02 -8.1561100000e-01  4.8721500000e-01  1.1675800000e-01 -7.6500600000e-01 -1.0310380000e+00 -2.2202950000e+00 -2.7476700000e-01 -6.9199900000e-01 -1.4713280000e+00 -1.0053600000e-01 -1.4326380000e+00 -2.7801420000e+00
-ENERGY -1.526575765833e+02
-FORCES -6.3606000000e-03 -1.0875000000e-03 -9.6676000000e-03 -4.1206000000e-03 -4.2923000000e-03 -1.5847000000e-03  5.8022000000e-03 -2.4001000000e-03 -1.4817000000e-03  7.6921000000e-03  6.8067000000e-03  1.8805400000e-02 -3.2263000000e-03 -1.5860000000e-03 -9.9044000000e-03  2.1320000000e-04  2.5593000000e-03  3.8330000000e-03
-
-JOB 316
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2487200000e-01  6.4339900000e-01  6.2986400000e-01 -7.5532700000e-01 -3.9870200000e-01  4.3214600000e-01  8.8741800000e-01  2.1712050000e+00  1.6562410000e+00  5.6777700000e-01  1.7241020000e+00  2.4399250000e+00  1.8251640000e+00  2.2852830000e+00  1.8106780000e+00
-ENERGY -1.526587932475e+02
-FORCES  1.6357000000e-03  8.4547000000e-03  5.6782000000e-03 -4.1730000000e-03 -1.0140800000e-02 -1.5750000000e-03  3.0159000000e-03  2.2048000000e-03  7.7800000000e-05  3.7653000000e-03  9.6610000000e-04  3.1297000000e-03  9.9580000000e-04 -6.7090000000e-04 -7.1494000000e-03 -5.2397000000e-03 -8.1380000000e-04 -1.6130000000e-04
-
-JOB 317
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5678200000e-01 -3.9489100000e-01  1.6192000000e-01 -4.1241000000e-02  8.5049100000e-01  4.3726000000e-01  2.3745700000e+00 -1.4654850000e+00  7.1148700000e-01  1.6063770000e+00 -9.0450300000e-01  8.1830800000e-01  2.5063300000e+00 -1.8588100000e+00  1.5741370000e+00
-ENERGY -1.526592672284e+02
-FORCES -4.9323000000e-03  1.0664000000e-03 -8.7440000000e-04  4.3744000000e-03  2.5356000000e-03 -9.6300000000e-05  1.3099000000e-03 -5.7222000000e-03 -8.2180000000e-04 -7.6682000000e-03  3.8259000000e-03 -4.7210000000e-04  8.7967000000e-03 -3.6541000000e-03  5.1197000000e-03 -1.8805000000e-03  1.9484000000e-03 -2.8552000000e-03
-
-JOB 318
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8607700000e-01 -5.2859900000e-01  1.3746700000e-01  1.3498500000e-01  4.5063200000e-01  8.3363200000e-01 -1.9444500000e+00 -1.9853560000e+00 -4.6722500000e-01 -2.7818870000e+00 -1.5218930000e+00 -4.5565100000e-01 -1.7356950000e+00 -2.0805970000e+00 -1.3965160000e+00
-ENERGY -1.526602141643e+02
-FORCES -6.3700000000e-03 -7.5379000000e-03  1.1702000000e-03  4.9026000000e-03  9.8596000000e-03  1.7009000000e-03 -2.1888000000e-03 -2.4205000000e-03 -2.4444000000e-03 -3.8000000000e-05  1.5500000000e-05 -6.3198000000e-03  6.0014000000e-03 -3.9730000000e-04  9.9200000000e-04 -2.3073000000e-03  4.8060000000e-04  4.9010000000e-03
-
-JOB 319
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1515300000e-01 -4.8173000000e-01 -1.4033500000e-01  6.6295800000e-01 -6.7993200000e-01  1.2005000000e-01  2.1675090000e+00 -1.6754180000e+00 -2.9763700000e-01  2.0072300000e+00 -1.9827070000e+00 -1.1898900000e+00  2.7702050000e+00 -9.3914700000e-01 -4.0201500000e-01
-ENERGY -1.526603564160e+02
-FORCES  8.5087000000e-03 -1.0714600000e-02  1.0000000000e-04  3.3835000000e-03  3.8380000000e-04 -3.6170000000e-04 -7.3679000000e-03  7.8839000000e-03  2.5380000000e-04 -4.6950000000e-04  4.6021000000e-03 -5.5083000000e-03  3.1480000000e-04  1.6688000000e-03  4.7702000000e-03 -4.3696000000e-03 -3.8239000000e-03  7.4600000000e-04
-
-JOB 320
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5509100000e-01 -3.9873800000e-01  7.4170900000e-01 -2.2090800000e-01 -7.3648900000e-01 -5.7010100000e-01  3.3123570000e+00 -1.5994810000e+00 -7.7483900000e-01  4.0280620000e+00 -1.9033440000e+00 -1.3331080000e+00  2.6648300000e+00 -2.3035290000e+00 -8.1028500000e-01
-ENERGY -1.526532844174e+02
-FORCES  2.7078000000e-03 -4.0005000000e-03  4.5970000000e-04 -3.1152000000e-03  1.0738000000e-03 -2.7699000000e-03  6.2260000000e-04  2.3331000000e-03  2.3743000000e-03  1.1242000000e-03 -3.7703000000e-03 -3.1933000000e-03 -3.1373000000e-03  1.2480000000e-03  2.3570000000e-03  1.7978000000e-03  3.1158000000e-03  7.7220000000e-04
-
-JOB 321
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5178200000e-01  1.9059900000e-01 -9.2567100000e-01  4.7954500000e-01 -8.2841300000e-01 -1.0420000000e-03 -1.6325190000e+00 -1.9792960000e+00 -6.6821700000e-01 -1.3754180000e+00 -1.1875690000e+00 -1.9567100000e-01 -1.0087190000e+00 -2.0402110000e+00 -1.3916770000e+00
-ENERGY -1.526516145680e+02
-FORCES -1.6374000000e-03 -8.6839000000e-03 -6.2916000000e-03 -2.1250000000e-03 -4.5932000000e-03  5.0014000000e-03 -6.5924000000e-03  2.7630000000e-03 -1.4602000000e-03  9.9579000000e-03  1.4575300000e-02  4.2683000000e-03 -2.7100000000e-05 -5.9759000000e-03 -4.4537000000e-03  4.2390000000e-04  1.9147000000e-03  2.9358000000e-03
-
-JOB 322
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9128500000e-01 -1.8841000000e-01  2.9384500000e-01  1.0129800000e-01  7.1034000000e-01 -6.3355200000e-01 -2.2796000000e-01 -1.1148650000e+00 -3.7994320000e+00 -4.8544700000e-01 -1.5545760000e+00 -4.6097320000e+00 -9.9097300000e-01 -5.8947600000e-01 -3.5585800000e+00
-ENERGY -1.526543454678e+02
-FORCES  5.0493000000e-03  1.1917000000e-03 -2.1497000000e-03 -3.6239000000e-03  1.1199000000e-03 -5.0820000000e-04 -1.3023000000e-03 -2.3809000000e-03  2.7265000000e-03 -4.7606000000e-03 -4.2780000000e-04 -1.8207000000e-03  1.1061000000e-03  1.7838000000e-03  3.3259000000e-03  3.5313000000e-03 -1.2868000000e-03 -1.5739000000e-03
-
-JOB 323
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5511800000e-01 -4.2896600000e-01  3.1519000000e-02 -2.0170400000e-01  9.3508100000e-01 -3.4211000000e-02  1.4019870000e+00  5.2095000000e-02  2.2668860000e+00  5.9613200000e-01  4.0590500000e-01  2.6432470000e+00  1.1523930000e+00 -2.2938000000e-01  1.3867110000e+00
-ENERGY -1.526572312211e+02
-FORCES  1.1134000000e-03  2.8518000000e-03  7.1348000000e-03  4.1005000000e-03  3.3311000000e-03  1.0413000000e-03 -2.0270000000e-04 -5.2870000000e-03  1.0769000000e-03 -1.2006200000e-02 -8.1780000000e-04 -1.4380900000e-02  1.6669000000e-03  1.8170000000e-04 -1.3180000000e-04  5.3281000000e-03 -2.5980000000e-04  5.2598000000e-03
-
-JOB 324
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5064900000e-01  5.4086500000e-01  2.4540400000e-01 -3.8600800000e-01 -7.7685300000e-01 -4.0463500000e-01 -2.4707870000e+00  1.5670520000e+00  5.9017100000e-01 -2.1406060000e+00  2.4636460000e+00  6.4788200000e-01 -2.7483730000e+00  1.4717110000e+00 -3.2092100000e-01
-ENERGY -1.526602145148e+02
-FORCES -9.3985000000e-03  1.7749000000e-03  2.9392000000e-03  8.6682000000e-03 -3.5471000000e-03 -4.9446000000e-03  8.2100000000e-04  2.9471000000e-03  6.2790000000e-04 -2.8542000000e-03  5.3398000000e-03 -2.6069000000e-03 -8.2130000000e-04 -5.6040000000e-03 -8.7320000000e-04  3.5848000000e-03 -9.1060000000e-04  4.8576000000e-03
-
-JOB 325
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2534600000e-01  8.5714200000e-01 -2.4913000000e-02 -9.2544200000e-01  1.9550600000e-01  1.4685300000e-01 -2.0470090000e+00 -2.5627500000e+00  1.9225490000e+00 -2.4341460000e+00 -1.6993440000e+00  2.0670720000e+00 -2.3565890000e+00 -3.0907990000e+00  2.6584530000e+00
-ENERGY -1.526524078905e+02
-FORCES -2.1069000000e-03  3.7249000000e-03  2.5570000000e-04 -1.7155000000e-03 -3.7357000000e-03  2.1030000000e-04  3.3840000000e-03 -3.0850000000e-04  3.7000000000e-06 -2.2347000000e-03  1.0697000000e-03  4.0827000000e-03  1.3255000000e-03 -2.9031000000e-03 -1.4103000000e-03  1.3477000000e-03  2.1526000000e-03 -3.1421000000e-03
-
-JOB 326
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8580100000e-01  2.0193300000e-01  8.5241600000e-01  8.9715600000e-01  3.2846900000e-01  5.8750000000e-02  2.3732080000e+00  1.1718360000e+00  5.8861000000e-01  1.9642920000e+00  1.9433070000e+00  9.8085000000e-01  2.5360030000e+00  5.8492600000e-01  1.3270310000e+00
-ENERGY -1.526572359020e+02
-FORCES  1.4599400000e-02  7.9423000000e-03  4.0223000000e-03  2.3462000000e-03  1.7180000000e-04 -1.8084000000e-03 -8.7825000000e-03 -4.9528000000e-03  1.0844000000e-03 -4.4450000000e-03  1.1490000000e-04  3.3531000000e-03  5.1860000000e-04 -6.0423000000e-03 -1.7389000000e-03 -4.2366000000e-03  2.7661000000e-03 -4.9126000000e-03
-
-JOB 327
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4153000000e-02  5.7530000000e-01 -7.6464200000e-01  7.1477300000e-01 -6.1028900000e-01 -1.8132400000e-01  2.9400590000e+00  1.7456300000e+00 -1.3467950000e+00  3.3630480000e+00  1.9573630000e+00 -2.1789500000e+00  2.4395120000e+00  2.5309050000e+00 -1.1253710000e+00
-ENERGY -1.526560203559e+02
-FORCES  5.0501000000e-03 -3.4700000000e-05 -4.4708000000e-03 -1.5938000000e-03 -1.5057000000e-03  3.2132000000e-03 -4.0954000000e-03  1.1020000000e-03  1.2509000000e-03  1.1698000000e-03  5.2015000000e-03 -1.7356000000e-03 -2.1481000000e-03 -1.0646000000e-03  3.5531000000e-03  1.6176000000e-03 -3.6986000000e-03 -1.8108000000e-03
-
-JOB 328
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0222000000e-02  9.1614300000e-01  2.7659600000e-01 -2.8847700000e-01 -4.7894200000e-01  7.7693400000e-01  1.5817640000e+00 -7.7840500000e-01  2.6415650000e+00  1.9719940000e+00  2.5763000000e-02  2.2991210000e+00  1.7988660000e+00 -1.4463510000e+00  1.9912220000e+00
-ENERGY -1.526572770660e+02
-FORCES -1.7956000000e-03  1.5457000000e-03  7.0105000000e-03  1.0014000000e-03 -3.2502000000e-03 -1.3797000000e-03  5.9440000000e-04  1.1214000000e-03 -5.6387000000e-03  4.4879000000e-03  8.2960000000e-04 -6.1470000000e-03 -2.2207000000e-03 -2.3627000000e-03  2.4634000000e-03 -2.0674000000e-03  2.1162000000e-03  3.6914000000e-03
-
-JOB 329
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5652100000e-01  6.5525200000e-01 -2.3634100000e-01 -2.8142800000e-01 -3.7034900000e-01 -8.3658400000e-01  2.0937000000e+00  1.5674810000e+00 -8.2005800000e-01  2.1423400000e+00  2.2393800000e+00 -1.4004600000e-01  2.6435790000e+00  8.5528300000e-01 -4.9350100000e-01
-ENERGY -1.526594824447e+02
-FORCES  9.3844000000e-03  9.5517000000e-03 -8.7843000000e-03 -4.1020000000e-03 -6.4547000000e-03  7.0645000000e-03  1.3553000000e-03  6.8240000000e-04  2.3880000000e-03  1.6367000000e-03 -1.8494000000e-03  3.3846000000e-03 -2.0971000000e-03 -5.5875000000e-03 -2.9878000000e-03 -6.1773000000e-03  3.6575000000e-03 -1.0651000000e-03
-
-JOB 330
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5574900000e-01 -6.0310700000e-01 -4.9359600000e-01  4.3905700000e-01 -5.5276900000e-01  6.4645700000e-01  1.9783190000e+00  2.0716090000e+00  9.5122800000e-01  1.4960800000e+00  1.6552570000e+00  1.6656010000e+00  1.3287110000e+00  2.6191320000e+00  5.1025300000e-01
-ENERGY -1.526541307860e+02
-FORCES  1.8844000000e-03 -4.9190000000e-03  3.1200000000e-04  2.8668000000e-03  3.0257000000e-03  1.8657000000e-03 -3.1026000000e-03  2.7867000000e-03 -1.2464000000e-03 -8.5408000000e-03 -1.6187000000e-03 -2.1935000000e-03  3.1022000000e-03  2.8680000000e-04 -1.1861000000e-03  3.7900000000e-03  4.3860000000e-04  2.4483000000e-03
-
-JOB 331
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9478400000e-01  3.1291600000e-01  1.3295600000e-01  1.0093200000e-01 -8.1098700000e-01 -4.9834200000e-01 -1.3357800000e-01 -2.1803870000e+00 -1.6832370000e+00 -6.3267200000e-01 -1.9319640000e+00 -2.4613260000e+00  3.2877900000e-01 -2.9784180000e+00 -1.9393700000e+00
-ENERGY -1.526610997725e+02
-FORCES  2.1637000000e-03 -9.4997000000e-03 -6.5488000000e-03 -2.2986000000e-03 -1.8303000000e-03 -9.0200000000e-04 -1.1000000000e-05  8.2058000000e-03  5.1106000000e-03 -3.6940000000e-04  1.8740000000e-03 -6.8550000000e-04  3.1703000000e-03 -2.6282000000e-03  3.2522000000e-03 -2.6551000000e-03  3.8784000000e-03 -2.2650000000e-04
-
-JOB 332
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3982400000e-01 -4.5742000000e-01 -4.1151000000e-02  4.7421700000e-01 -4.3236000000e-01  7.1022100000e-01 -2.6415310000e+00 -1.0331280000e+00 -2.0222000000e-02 -2.4477110000e+00 -1.7184700000e+00 -6.5973100000e-01 -2.5631140000e+00 -1.4680540000e+00  8.2884800000e-01
-ENERGY -1.526578006888e+02
-FORCES -1.0944700000e-02 -3.8184000000e-03  1.5416000000e-03  1.1084700000e-02 -1.2226000000e-03  4.1000000000e-06 -3.2259000000e-03  4.5010000000e-04 -2.0704000000e-03 -1.9735000000e-03 -3.6761000000e-03  1.1270000000e-03  2.2587000000e-03  5.2817000000e-03  4.7041000000e-03  2.8007000000e-03  2.9854000000e-03 -5.3063000000e-03
-
-JOB 333
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6630200000e-01  3.9073100000e-01 -4.1993300000e-01  4.7580000000e-01 -4.2298600000e-01 -7.1479200000e-01 -1.0203960000e+00 -1.6267440000e+00  1.9710680000e+00 -7.7938100000e-01 -8.7131400000e-01  1.4349070000e+00 -1.9676030000e+00 -1.5481590000e+00  2.0844480000e+00
-ENERGY -1.526586853924e+02
-FORCES -2.8020000000e-04 -6.0095000000e-03 -2.2845000000e-03  2.7417000000e-03 -3.3692000000e-03  3.8836000000e-03 -2.6949000000e-03  3.7597000000e-03  2.0091000000e-03  4.1064000000e-03  7.7676000000e-03 -8.5457000000e-03 -7.0712000000e-03 -3.3088000000e-03  7.0729000000e-03  3.1982000000e-03  1.1601000000e-03 -2.1354000000e-03
-
-JOB 334
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3126300000e-01 -8.8449000000e-01  1.5548000000e-01  3.4123500000e-01  2.3587600000e-01 -8.6264300000e-01 -6.7768400000e-01  2.7477900000e-01  3.6029280000e+00 -9.7921700000e-01 -5.9878400000e-01  3.8523210000e+00 -9.6003600000e-01  8.4039700000e-01  4.3216670000e+00
-ENERGY -1.526523305787e+02
-FORCES  3.1085000000e-03 -2.6694000000e-03 -1.8624000000e-03 -1.5793000000e-03  3.1693000000e-03 -1.1450000000e-03 -1.5545000000e-03 -7.1360000000e-04  3.6725000000e-03 -2.8980000000e-03 -7.6210000000e-04  3.4687000000e-03  1.6449000000e-03  3.2893000000e-03 -1.1657000000e-03  1.2783000000e-03 -2.3136000000e-03 -2.9680000000e-03
-
-JOB 335
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9233300000e-01 -8.0867400000e-01 -3.2917100000e-01  7.9034000000e-02 -6.4987000000e-02  9.5171500000e-01 -3.1981850000e+00  1.3905990000e+00  1.4708550000e+00 -2.7350710000e+00  2.0296670000e+00  2.0124720000e+00 -2.9158130000e+00  5.4052500000e-01  1.8083050000e+00
-ENERGY -1.526526554360e+02
-FORCES  2.2429000000e-03 -3.3795000000e-03  1.8618000000e-03 -1.8498000000e-03  3.4760000000e-03  1.4698000000e-03 -1.0241000000e-03  2.6870000000e-04 -3.3980000000e-03  3.5953000000e-03 -9.8300000000e-04  2.1343000000e-03 -1.8435000000e-03 -2.8376000000e-03 -1.7990000000e-03 -1.1208000000e-03  3.4553000000e-03 -2.6880000000e-04
-
-JOB 336
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2816500000e-01  6.6025400000e-01  4.4870800000e-01 -4.0997000000e-01  4.7243200000e-01 -7.2454400000e-01 -1.3448130000e+00  1.2969590000e+00 -2.1069220000e+00 -1.4646660000e+00  9.0109400000e-01 -2.9701470000e+00 -2.1239610000e+00  1.8385320000e+00 -1.9809870000e+00
-ENERGY -1.526617526066e+02
-FORCES -4.0155000000e-03  7.0172000000e-03 -7.9171000000e-03 -2.1003000000e-03 -1.3482000000e-03 -1.5517000000e-03  5.2936000000e-03 -4.4185000000e-03  7.4557000000e-03 -2.2089000000e-03 -1.6054000000e-03 -3.2100000000e-05 -5.6740000000e-04  2.8034000000e-03  3.9605000000e-03  3.5984000000e-03 -2.4486000000e-03 -1.9154000000e-03
-
-JOB 337
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3614700000e-01 -5.0155600000e-01  5.0989300000e-01  5.1314300000e-01  4.7310200000e-01  6.5505000000e-01  1.8133720000e+00 -1.4747470000e+00 -1.5645070000e+00  2.1283040000e+00 -8.3049200000e-01 -2.1985300000e+00  1.1471520000e+00 -1.0085970000e+00 -1.0594460000e+00
-ENERGY -1.526617240322e+02
-FORCES  7.9190000000e-04 -1.1693000000e-03  3.5149000000e-03  3.8874000000e-03  2.8083000000e-03 -2.0438000000e-03 -2.8438000000e-03 -2.7803000000e-03 -3.4268000000e-03 -8.4681000000e-03  8.3211000000e-03  4.6694000000e-03 -8.1050000000e-04 -1.3051000000e-03  2.4148000000e-03  7.4431000000e-03 -5.8748000000e-03 -5.1285000000e-03
-
-JOB 338
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8972300000e-01  1.1464200000e-01  8.1440800000e-01 -5.7286300000e-01  7.6550900000e-01 -4.5348000000e-02  1.7642090000e+00 -7.8583800000e-01 -2.1737410000e+00  2.0410060000e+00 -1.0179170000e+00 -1.2873130000e+00  1.1476150000e+00 -6.3989000000e-02 -2.0513610000e+00
-ENERGY -1.526560499350e+02
-FORCES -3.9610000000e-04  2.0883000000e-03  3.1458000000e-03 -1.3939000000e-03 -1.0714000000e-03 -4.6829000000e-03  3.6690000000e-03 -3.5161000000e-03 -1.0497000000e-03 -7.2800000000e-03  2.7161000000e-03  1.0283600000e-02  2.6199000000e-03 -5.6940000000e-04 -2.4325000000e-03  2.7810000000e-03  3.5250000000e-04 -5.2643000000e-03
-
-JOB 339
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5635200000e-01 -6.9594100000e-01 -3.3160000000e-02  1.4029100000e-01  4.2200200000e-01  8.4762300000e-01  1.6768180000e+00  8.3384000000e-01  2.0269340000e+00  2.0764860000e+00  1.6648460000e+00  1.7701730000e+00  2.2536570000e+00  4.9087000000e-01  2.7094740000e+00
-ENERGY -1.526586896488e+02
-FORCES  1.0161400000e-02  6.2770000000e-04  1.0382300000e-02 -2.4743000000e-03  2.0270000000e-04 -1.9742000000e-03 -4.9142000000e-03  1.1644000000e-03 -4.3015000000e-03  7.1630000000e-04  3.8860000000e-04 -2.0897000000e-03 -1.8799000000e-03 -4.2228000000e-03  2.0881000000e-03 -1.6093000000e-03  1.8395000000e-03 -4.1050000000e-03
-
-JOB 340
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6296800000e-01  6.8081500000e-01 -3.6849600000e-01 -3.7495300000e-01 -4.4022600000e-01 -7.6278600000e-01  1.4064850000e+00 -1.8015910000e+00 -2.2943370000e+00  2.0076070000e+00 -2.4277510000e+00 -2.6978300000e+00  5.9504300000e-01 -1.8917380000e+00 -2.7940050000e+00
-ENERGY -1.526538876691e+02
-FORCES  4.1741000000e-03 -1.3870000000e-03 -6.3913000000e-03 -3.0580000000e-03 -1.1191000000e-03  2.2815000000e-03 -1.5640000000e-03  2.1658000000e-03  2.2738000000e-03  5.4480000000e-04 -4.4541000000e-03 -3.4723000000e-03 -2.6519000000e-03  2.8913000000e-03  1.6826000000e-03  2.5551000000e-03  1.9031000000e-03  3.6258000000e-03
-
-JOB 341
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7722000000e-01  7.8293900000e-01 -5.2137400000e-01 -7.8301000000e-01 -5.4048600000e-01 -1.0488900000e-01 -1.8187610000e+00 -6.9955700000e-01  2.5171750000e+00 -2.0396310000e+00  1.3382100000e-01  2.1013270000e+00 -2.4098180000e+00 -1.3340840000e+00  2.1118860000e+00
-ENERGY -1.526521888664e+02
-FORCES -3.2279000000e-03 -1.1358000000e-03 -1.3015000000e-03 -7.3600000000e-05 -3.1451000000e-03  3.4290000000e-03  2.0205000000e-03  3.0140000000e-03 -8.7430000000e-04 -1.3214000000e-03  2.4052000000e-03 -2.6427000000e-03 -8.3870000000e-04 -4.0320000000e-03  1.2710000000e-03  3.4409000000e-03  2.8937000000e-03  1.1840000000e-04
-
-JOB 342
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3547800000e-01 -6.6037000000e-01  5.3898300000e-01 -6.2225200000e-01  4.2138900000e-01  5.9284600000e-01 -7.9876900000e-01 -1.5109970000e+00 -1.9440060000e+00 -5.5172400000e-01 -8.1867800000e-01 -1.3309030000e+00 -9.3426500000e-01 -1.0576060000e+00 -2.7760580000e+00
-ENERGY -1.526591604008e+02
-FORCES -4.4647000000e-03 -8.6743000000e-03 -5.2603000000e-03 -3.4423000000e-03  4.1883000000e-03 -2.4404000000e-03  3.5766000000e-03 -2.7874000000e-03 -2.6088000000e-03  5.9022000000e-03  1.2963600000e-02  1.3638800000e-02 -2.1555000000e-03 -6.5613000000e-03 -7.1593000000e-03  5.8360000000e-04  8.7110000000e-04  3.8300000000e-03
-
-JOB 343
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0150500000e-01  9.3116300000e-01 -1.9713900000e-01 -5.4160200000e-01 -1.4134700000e-01  7.7647900000e-01  2.3946590000e+00 -9.7537900000e-01  7.6734600000e-01  1.5154700000e+00 -6.6572400000e-01  5.4969500000e-01  2.9286030000e+00 -7.3299600000e-01  1.0783000000e-02
-ENERGY -1.526593586799e+02
-FORCES  4.1664000000e-03  1.7625000000e-03  2.9433000000e-03 -2.4020000000e-04 -4.9471000000e-03  1.2535000000e-03  5.1674000000e-03  9.4910000000e-04 -3.8808000000e-03 -1.3655300000e-02  6.8142000000e-03 -8.4169000000e-03  5.8977000000e-03 -4.6163000000e-03  6.1806000000e-03 -1.3361000000e-03  3.7600000000e-05  1.9203000000e-03
-
-JOB 344
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8081300000e-01 -2.2130500000e-01 -7.2795000000e-01  2.7524000000e-01  8.9943100000e-01 -1.7747800000e-01 -1.5883230000e+00 -8.9409300000e-01 -1.9844340000e+00 -1.4371350000e+00 -3.0430900000e-01 -2.7230340000e+00 -1.2946770000e+00 -1.7499440000e+00 -2.2967220000e+00
-ENERGY -1.526591730045e+02
-FORCES -1.0182800000e-02 -4.2768000000e-03 -1.1519600000e-02  7.6537000000e-03  5.6897000000e-03  5.9314000000e-03 -1.9289000000e-03 -2.9592000000e-03 -1.6315000000e-03  5.1159000000e-03 -1.2684000000e-03  8.7130000000e-04  1.0055000000e-03 -2.4566000000e-03  5.6397000000e-03 -1.6635000000e-03  5.2713000000e-03  7.0870000000e-04
-
-JOB 345
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6632100000e-01 -4.6805400000e-01 -3.3152500000e-01  2.4801000000e-01  2.7070700000e-01  8.8399100000e-01 -2.7772300000e-01 -1.0890000000e-01 -3.2702390000e+00 -3.0828300000e-01 -9.7126200000e-01 -2.8559560000e+00 -1.1242390000e+00 -2.3187000000e-02 -3.7087550000e+00
-ENERGY -1.526533555327e+02
-FORCES  4.9947000000e-03  5.3950000000e-04  1.3643000000e-03 -3.8811000000e-03  1.7320000000e-04  1.6273000000e-03 -1.2017000000e-03 -8.6200000000e-04 -3.8813000000e-03 -5.3032000000e-03 -2.2065000000e-03  1.9487000000e-03  1.9022000000e-03  2.7654000000e-03 -2.1294000000e-03  3.4891000000e-03 -4.0960000000e-04  1.0704000000e-03
-
-JOB 346
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3050000000e-02 -9.5020700000e-01  8.9457000000e-02 -6.3590100000e-01  2.2675700000e-01 -6.7856000000e-01  2.0018710000e+00 -2.3868530000e+00  1.5468480000e+00  2.6730700000e+00 -1.7194790000e+00  1.6894500000e+00  2.4048800000e+00 -3.2008930000e+00  1.8487670000e+00
-ENERGY -1.526572382118e+02
-FORCES -2.1887000000e-03 -4.2576000000e-03 -1.5275000000e-03 -1.8265000000e-03  5.6661000000e-03 -2.0554000000e-03  2.4415000000e-03 -1.0373000000e-03  2.6068000000e-03  5.3005000000e-03  7.0800000000e-05  2.3733000000e-03 -2.2152000000e-03 -3.8755000000e-03 -1.5600000000e-04 -1.5116000000e-03  3.4335000000e-03 -1.2411000000e-03
-
-JOB 347
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2235900000e-01 -4.4746100000e-01  5.7330600000e-01 -1.3491900000e-01  9.3055700000e-01  1.7914400000e-01  2.6586780000e+00 -4.5769000000e-01  1.0539600000e-01  1.7835290000e+00 -2.0826600000e-01 -1.9147700000e-01  3.0517010000e+00 -8.9719000000e-01 -6.4866300000e-01
-ENERGY -1.526595757252e+02
-FORCES  3.6269000000e-03 -2.6882000000e-03  5.3399000000e-03  1.1000000000e-03  3.7837000000e-03 -2.8509000000e-03  1.6793000000e-03 -5.1374000000e-03 -8.0420000000e-04 -1.3151400000e-02  5.7700000000e-04 -1.9253000000e-03  9.6653000000e-03  2.1699000000e-03 -1.6519000000e-03 -2.9201000000e-03  1.2951000000e-03  1.8924000000e-03
-
-JOB 348
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8006300000e-01 -5.2835800000e-01  7.7759000000e-01 -8.4254000000e-02 -6.3747000000e-01 -7.0905900000e-01 -8.8013500000e-01 -2.2300620000e+00 -2.1029440000e+00 -1.5391250000e+00 -1.5884150000e+00 -2.3679990000e+00 -2.0636300000e-01 -2.1760560000e+00 -2.7806940000e+00
-ENERGY -1.526599160264e+02
-FORCES -7.0200000000e-04 -8.2411000000e-03 -1.1813000000e-03 -3.1960000000e-04  2.3199000000e-03 -2.2819000000e-03  1.8657000000e-03  8.0393000000e-03  3.4197000000e-03 -2.8386000000e-03 -5.9210000000e-04 -6.6822000000e-03  4.9348000000e-03 -2.4706000000e-03  2.1801000000e-03 -2.9404000000e-03  9.4450000000e-04  4.5455000000e-03
-
-JOB 349
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0435100000e-01  2.7306400000e-01 -8.2350900000e-01 -1.9726600000e-01 -9.3432500000e-01  6.5998000000e-02 -1.6227200000e-01 -2.4445610000e+00 -1.7519270000e+00  5.8969500000e-01 -2.7248420000e+00 -1.2301800000e+00 -8.0103900000e-01 -3.1502190000e+00 -1.6506650000e+00
-ENERGY -1.526571548699e+02
-FORCES -3.7800000000e-03 -6.1572000000e-03 -8.2425000000e-03  1.1718000000e-03  2.0598000000e-03  3.7758000000e-03  2.6101000000e-03  2.1516000000e-03  4.4785000000e-03  2.4485000000e-03 -4.3929000000e-03 -7.8400000000e-05 -5.3807000000e-03  2.1193000000e-03 -6.1020000000e-04  2.9303000000e-03  4.2194000000e-03  6.7670000000e-04
-
-JOB 350
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8442800000e-01  4.1192000000e-02  9.1303700000e-01 -2.9870900000e-01  8.2533000000e-01 -3.8188400000e-01 -2.4023100000e+00 -1.5459260000e+00  4.7931600000e-01 -1.5253600000e+00 -1.1682710000e+00  5.4689100000e-01 -2.5565760000e+00 -1.6275710000e+00 -4.6183700000e-01
-ENERGY -1.526544042169e+02
-FORCES -3.7028000000e-03  5.6331000000e-03  1.2788000000e-03 -4.1929000000e-03 -6.9912000000e-03 -6.8696000000e-03  1.8659000000e-03 -4.3763000000e-03  1.6606000000e-03  9.0305000000e-03  3.4364000000e-03 -8.3938000000e-03 -1.5333000000e-03  2.3478000000e-03  9.2244000000e-03 -1.4674000000e-03 -4.9800000000e-05  3.0996000000e-03
-
-JOB 351
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6571700000e-01 -1.8363100000e-01  3.6475500000e-01  6.0668600000e-01 -1.8544200000e-01  7.1678100000e-01  2.4727100000e+00 -2.1138460000e+00 -5.5580300000e-01  2.7768700000e+00 -1.2074820000e+00 -6.0294600000e-01  1.9833940000e+00 -2.1603660000e+00  2.6556000000e-01
-ENERGY -1.526518111486e+02
-FORCES -2.0908000000e-03 -1.5899000000e-03  3.6494000000e-03  4.0594000000e-03  5.7940000000e-04 -1.4910000000e-03 -7.6340000000e-04 -6.6970000000e-04 -3.3949000000e-03 -3.1920000000e-03  4.6830000000e-03  1.1532000000e-03 -3.4670000000e-04 -4.0287000000e-03  1.6220000000e-03  2.3336000000e-03  1.0259000000e-03 -1.5387000000e-03
-
-JOB 352
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2416100000e-01 -3.7397300000e-01  6.2193100000e-01  4.9888300000e-01  6.3542700000e-01  5.1340100000e-01  2.4531880000e+00 -1.5101350000e+00 -6.8486600000e-01  2.8835610000e+00 -7.7413700000e-01 -2.4975800000e-01  1.5516810000e+00 -1.2168660000e+00 -8.1719200000e-01
-ENERGY -1.526588317364e+02
-FORCES -4.2860000000e-04  4.8000000000e-04  5.8452000000e-03  3.0238000000e-03  2.3043000000e-03 -2.7019000000e-03 -1.2405000000e-03 -3.5599000000e-03 -2.6950000000e-03 -7.7562000000e-03  6.8178000000e-03  2.4241000000e-03 -7.7770000000e-04 -1.8595000000e-03 -7.1140000000e-04  7.1791000000e-03 -4.1827000000e-03 -2.1611000000e-03
-
-JOB 353
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1194100000e-01 -7.6534200000e-01 -4.0098400000e-01 -2.6425200000e-01  5.4590300000e-01 -7.4053600000e-01  1.1726940000e+00 -2.2132880000e+00 -5.2343000000e-01  1.0028740000e+00 -2.8689950000e+00 -1.1997740000e+00  1.1805500000e+00 -2.7093470000e+00  2.9516300000e-01
-ENERGY -1.526578045232e+02
-FORCES  9.4555000000e-03 -1.6996600000e-02 -5.2944000000e-03 -3.9475000000e-03  7.6860000000e-03  1.4786000000e-03  1.6543000000e-03 -3.9965000000e-03  3.7420000000e-04 -7.9051000000e-03  9.2892000000e-03  5.0678000000e-03  6.0380000000e-04  3.0704000000e-03  4.0617000000e-03  1.3900000000e-04  9.4750000000e-04 -5.6879000000e-03
-
-JOB 354
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6512300000e-01 -2.1279400000e-01 -3.5001700000e-01  1.4527000000e-01  1.2826700000e-01  9.3737700000e-01 -2.4178000000e-02 -2.2525200000e+00 -2.2936740000e+00 -1.5496200000e-01 -3.0390040000e+00 -2.8233630000e+00  5.7682100000e-01 -2.5268710000e+00 -1.6010250000e+00
-ENERGY -1.526524697376e+02
-FORCES  3.7994000000e-03  6.1600000000e-04  9.4170000000e-04 -3.1089000000e-03 -4.5150000000e-04  2.6713000000e-03 -8.5920000000e-04 -1.0756000000e-03 -4.1847000000e-03  6.1760000000e-04 -4.5534000000e-03  1.5334000000e-03  2.2470000000e-04  3.4648000000e-03  2.4617000000e-03 -6.7350000000e-04  1.9997000000e-03 -3.4234000000e-03
-
-JOB 355
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8716100000e-01 -6.4719700000e-01 -6.7995500000e-01 -3.1253500000e-01  8.2812600000e-01 -3.6436300000e-01  2.0721950000e+00 -6.6485700000e-01  2.1118650000e+00  1.4921050000e+00 -4.5257200000e-01  1.3806580000e+00  2.9485200000e+00 -4.4770900000e-01  1.7938500000e+00
-ENERGY -1.526613053308e+02
-FORCES -3.3325000000e-03  1.5334000000e-03 -3.8999000000e-03  9.9360000000e-04  3.6742000000e-03  2.7868000000e-03  9.9590000000e-04 -4.3536000000e-03  5.4150000000e-04 -3.0375000000e-03  2.9113000000e-03 -6.5814000000e-03  7.2935000000e-03 -3.1593000000e-03  6.4343000000e-03 -2.9131000000e-03 -6.0600000000e-04  7.1880000000e-04
-
-JOB 356
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6240300000e-01  4.1083400000e-01 -5.5558000000e-01 -5.0241600000e-01 -4.5768300000e-01  6.7404500000e-01  7.3993500000e-01 -1.9115740000e+00 -2.2192580000e+00  4.2474700000e-01 -1.0287540000e+00 -2.4129480000e+00  1.5527580000e+00 -1.9911130000e+00 -2.7184820000e+00
-ENERGY -1.526521400411e+02
-FORCES -4.1856000000e-03 -3.6757000000e-03  1.0620000000e-03  4.0204000000e-03 -2.3698000000e-03  3.7100000000e-05  1.8626000000e-03  2.9096000000e-03 -2.2021000000e-03  2.1011000000e-03  5.9534000000e-03  1.0317000000e-03 -6.1900000000e-04 -3.2025000000e-03 -2.2506000000e-03 -3.1796000000e-03  3.8490000000e-04  2.3218000000e-03
-
-JOB 357
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4264200000e-01 -1.2329700000e-01  9.1769000000e-01 -9.3248000000e-02  9.4755600000e-01 -9.8354000000e-02  4.0565600000e-01 -5.7326700000e-01  2.6114450000e+00  2.1648300000e-01 -1.5115570000e+00  2.6190170000e+00  1.3613360000e+00 -5.2101400000e-01  2.6247300000e+00
-ENERGY -1.526594226928e+02
-FORCES  4.0340000000e-04 -7.0210000000e-04  1.6405700000e-02  2.9708000000e-03  9.6110000000e-04 -1.0678400000e-02  1.0437000000e-03 -2.6830000000e-03  1.5893000000e-03 -1.1840000000e-04 -3.7198000000e-03 -3.0006000000e-03  2.0686000000e-03  5.6400000000e-03 -7.4020000000e-04 -6.3681000000e-03  5.0380000000e-04 -3.5758000000e-03
-
-JOB 358
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4682100000e-01  7.1741300000e-01 -3.2021400000e-01  5.9253900000e-01 -5.3704900000e-01  5.2603000000e-01 -2.4375050000e+00  5.6001600000e-01  8.4886900000e-01 -1.5133660000e+00  3.7263000000e-01  6.8428700000e-01 -2.6862000000e+00  1.1696480000e+00  1.5408000000e-01
-ENERGY -1.526583708382e+02
-FORCES -5.3526000000e-03  2.7354000000e-03  3.2825000000e-03 -2.8177000000e-03 -4.1241000000e-03  1.9076000000e-03 -3.0606000000e-03  3.9555000000e-03 -2.7532000000e-03  1.6905500000e-02 -3.1851000000e-03 -8.4766000000e-03 -7.0598000000e-03  1.6098000000e-03  4.4134000000e-03  1.3852000000e-03 -9.9150000000e-04  1.6262000000e-03
-
-JOB 359
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7950500000e-01  1.7258400000e-01  5.2803200000e-01  2.7815400000e-01 -8.7750500000e-01  2.6238900000e-01  7.8325800000e-01 -2.2255790000e+00  1.5114890000e+00  1.4452630000e+00 -2.8038150000e+00  1.1325110000e+00  6.2815500000e-01 -2.5797720000e+00  2.3871160000e+00
-ENERGY -1.526589065057e+02
-FORCES  4.1010000000e-04 -9.1961000000e-03  9.3409000000e-03  1.7039000000e-03  4.5710000000e-04 -1.6131000000e-03  9.8600000000e-05  3.7688000000e-03 -7.0616000000e-03 -1.4670000000e-04  1.1825000000e-03  1.7921000000e-03 -3.7443000000e-03  3.3085000000e-03  1.6127000000e-03  1.6785000000e-03  4.7920000000e-04 -4.0710000000e-03
-
-JOB 360
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7343700000e-01  3.7450100000e-01 -8.6365500000e-01  8.0293100000e-01 -5.0810800000e-01 -1.1558900000e-01 -1.1828350000e+00  1.4951600000e+00 -1.9119180000e+00 -1.6973750000e+00  2.1352870000e+00 -1.4202700000e+00 -5.2149000000e-01  2.0169710000e+00 -2.3664150000e+00
-ENERGY -1.526591543407e+02
-FORCES -5.8503000000e-03  5.6912000000e-03 -9.8436000000e-03  8.0796000000e-03 -5.1544000000e-03  5.6730000000e-03 -2.7810000000e-03  3.1328000000e-03 -2.1482000000e-03 -2.4710000000e-04  2.6152000000e-03  6.6098000000e-03  2.6674000000e-03 -2.0436000000e-03 -4.1032000000e-03 -1.8685000000e-03 -4.2411000000e-03  3.8122000000e-03
-
-JOB 361
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9436700000e-01  3.1883900000e-01  1.2116800000e-01 -3.2040000000e-02 -2.8335500000e-01 -9.1373700000e-01  2.4934740000e+00  1.0638240000e+00 -6.0790300000e-01  2.3728720000e+00  1.9096880000e+00 -1.7639100000e-01  2.2396550000e+00  1.2200910000e+00 -1.5175120000e+00
-ENERGY -1.526576290205e+02
-FORCES  1.4413600000e-02  2.4769000000e-03 -5.4049000000e-03 -8.1208000000e-03  5.5260000000e-04  3.8285000000e-03 -6.0800000000e-04  1.4573000000e-03  1.6458000000e-03 -4.5931000000e-03  3.2472000000e-03 -3.4547000000e-03 -1.3963000000e-03 -6.1721000000e-03 -1.4335000000e-03  3.0470000000e-04 -1.5619000000e-03  4.8189000000e-03
-
-JOB 362
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5604400000e-01 -5.9876200000e-01 -7.0153900000e-01  2.9084800000e-01 -5.7245600000e-01  7.0988300000e-01 -1.1373360000e+00 -1.9832910000e+00 -1.7253060000e+00 -1.7049230000e+00 -1.7238710000e+00 -2.4511010000e+00 -1.1665930000e+00 -2.9400400000e+00 -1.7278940000e+00
-ENERGY -1.526605448052e+02
-FORCES -3.4628000000e-03 -9.9020000000e-03 -4.2051000000e-03  3.3822000000e-03  7.3435000000e-03  3.6585000000e-03 -5.3020000000e-04  1.6401000000e-03 -1.6970000000e-03 -1.3369000000e-03 -1.2219000000e-03 -2.8240000000e-04  2.8147000000e-03 -2.1143000000e-03  3.3197000000e-03 -8.6710000000e-04  4.2546000000e-03 -7.9370000000e-04
-
-JOB 363
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0514700000e-01  7.5313100000e-01 -5.0587600000e-01  7.8967000000e-01 -5.1614500000e-01  1.6200900000e-01  2.3630020000e+00  1.6921800000e+00 -8.8804900000e-01  2.4352020000e+00  2.2574460000e+00 -1.1896300000e-01  1.4975980000e+00  1.8862340000e+00 -1.2481200000e+00
-ENERGY -1.526515630478e+02
-FORCES  1.0515400000e-02  1.0207000000e-03 -1.7359000000e-03 -1.7775000000e-03  4.2700000000e-03 -2.6378000000e-03 -4.8549000000e-03  3.3600000000e-05  8.1870000000e-04 -2.5522000000e-03  4.5007000000e-03  2.3240000000e-03 -5.2160000000e-04 -3.3124000000e-03 -3.9769000000e-03 -8.0930000000e-04 -6.5126000000e-03  5.2079000000e-03
-
-JOB 364
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1892900000e-01  4.4814100000e-01 -8.3741100000e-01  6.4377600000e-01  5.3207800000e-01  4.6763000000e-01 -1.6913800000e-01  2.7646560000e+00  3.0032960000e+00  5.0808100000e-01  3.1659260000e+00  3.5478950000e+00  3.8365000000e-02  1.8302570000e+00  3.0119380000e+00
-ENERGY -1.526545210846e+02
-FORCES  1.6230000000e-03  4.9602000000e-03 -2.4310000000e-03  7.1870000000e-04 -2.3115000000e-03  3.1381000000e-03 -2.4959000000e-03 -3.0549000000e-03 -7.1380000000e-04  2.4680000000e-03 -2.2036000000e-03  3.4852000000e-03 -2.7245000000e-03 -1.7823000000e-03 -2.6208000000e-03  4.1070000000e-04  4.3921000000e-03 -8.5770000000e-04
-
-JOB 365
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1623600000e-01  8.2613500000e-01 -4.6927700000e-01 -4.0620900000e-01 -5.8446500000e-01 -6.4002100000e-01 -1.7564930000e+00 -9.3484100000e-01 -1.5681850000e+00 -2.4332640000e+00 -1.1977440000e+00 -9.4441000000e-01 -2.0743670000e+00 -1.0908100000e-01 -1.9332990000e+00
-ENERGY -1.526535479583e+02
-FORCES -1.6545700000e-02 -8.4099000000e-03 -1.8259600000e-02 -1.8130000000e-03 -1.8599000000e-03  5.2290000000e-04  4.4963000000e-03  1.3857000000e-03  5.3460000000e-03  8.0173000000e-03  1.0859900000e-02  1.3775400000e-02  3.7742000000e-03  1.6890000000e-03 -3.5488000000e-03  2.0710000000e-03 -3.6648000000e-03  2.1641000000e-03
-
-JOB 366
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8252800000e-01 -5.1663200000e-01  1.9228300000e-01  7.2734600000e-01 -6.0832600000e-01  1.3091200000e-01  1.7220200000e-01  2.5906100000e+00 -1.1075480000e+00  9.7469000000e-02  1.6686370000e+00 -8.6134900000e-01 -5.5312100000e-01  2.7363720000e+00 -1.7149130000e+00
-ENERGY -1.526610155644e+02
-FORCES  1.8730000000e-04 -8.2440000000e-04  6.6450000000e-04  4.2923000000e-03  1.4130000000e-03 -9.1350000000e-04 -4.4720000000e-03  1.8919000000e-03 -1.5310000000e-04 -2.3788000000e-03 -9.9950000000e-03  2.7769000000e-03  7.0960000000e-04  8.7278000000e-03 -4.5826000000e-03  1.6616000000e-03 -1.2134000000e-03  2.2078000000e-03
-
-JOB 367
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3616500000e-01  7.0318900000e-01  1.3058000000e-01 -4.5002300000e-01 -6.2909700000e-01 -5.6387000000e-01 -2.1028100000e-01  6.5911700000e-01 -3.4709230000e+00  3.2044500000e-01 -7.5207000000e-02 -3.1621680000e+00 -1.1079740000e+00  4.2022200000e-01 -3.2400360000e+00
-ENERGY -1.526529122763e+02
-FORCES -4.5178000000e-03  2.0443000000e-03 -1.7650000000e-03  2.2131000000e-03 -3.6111000000e-03 -1.2100000000e-05  2.1759000000e-03  2.2308000000e-03  9.1060000000e-04  2.0900000000e-05 -3.4782000000e-03  2.7575000000e-03 -3.4581000000e-03  2.1374000000e-03 -1.9208000000e-03  3.5661000000e-03  6.7670000000e-04  2.9800000000e-05
-
-JOB 368
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1125400000e-01 -4.4745600000e-01  7.8685200000e-01 -7.8578000000e-02  9.3133100000e-01  2.0659000000e-01 -6.8405100000e-01 -1.5979230000e+00 -2.0943810000e+00 -7.3604000000e-02 -2.2079760000e+00 -2.5084090000e+00 -1.3257700000e-01 -1.0456280000e+00 -1.5402340000e+00
-ENERGY -1.526603428671e+02
-FORCES -4.4426000000e-03 -1.4618000000e-03 -8.0720000000e-04  2.1243000000e-03  3.3699000000e-03 -2.8166000000e-03 -3.1400000000e-05 -4.4674000000e-03  5.6550000000e-04  4.1939000000e-03  6.7514000000e-03  7.0932000000e-03 -9.9490000000e-04  2.7629000000e-03  2.8404000000e-03 -8.4930000000e-04 -6.9549000000e-03 -6.8753000000e-03
-
-JOB 369
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4942300000e-01  2.9974200000e-01  8.7417100000e-01 -2.6612800000e-01  7.1131400000e-01 -5.8261500000e-01 -1.3080650000e+00 -2.6136700000e+00 -2.2395000000e-01 -1.0203410000e+00 -1.7178730000e+00 -4.7895000000e-02 -2.0127350000e+00 -2.5178520000e+00 -8.6464600000e-01
-ENERGY -1.526599273168e+02
-FORCES  3.4140000000e-04  5.2898000000e-03 -1.2160000000e-04 -2.5420000000e-04 -3.0681000000e-03 -5.3513000000e-03  7.9340000000e-04 -3.5720000000e-03  3.3826000000e-03  3.1567000000e-03  9.4221000000e-03 -2.0095000000e-03 -6.2850000000e-03 -8.3257000000e-03  2.1718000000e-03  2.2477000000e-03  2.5390000000e-04  1.9280000000e-03
-
-JOB 370
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6435000000e-02  8.6201900000e-01  4.1227300000e-01 -8.7528400000e-01 -3.7333500000e-01  1.0359400000e-01 -2.0501170000e+00 -1.7204500000e+00 -8.4992000000e-02 -1.5795670000e+00 -2.3963060000e+00  4.0289500000e-01 -2.7879270000e+00 -1.4874390000e+00  4.7854400000e-01
-ENERGY -1.526585502471e+02
-FORCES -1.2025800000e-02 -7.7175000000e-03 -1.5741000000e-03 -2.5599000000e-03 -3.8426000000e-03 -8.2940000000e-04  7.7158000000e-03  7.2805000000e-03  4.4078000000e-03  3.9020000000e-03 -1.8532000000e-03  2.2644000000e-03 -3.1461000000e-03  5.0466000000e-03 -1.9668000000e-03  6.1140000000e-03  1.0863000000e-03 -2.3019000000e-03
-
-JOB 371
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6482200000e-01  6.8614700000e-01 -3.5554100000e-01 -5.6452500000e-01 -7.7105900000e-01  5.4879000000e-02  1.0508530000e+00  1.8952680000e+00  1.6552130000e+00  1.9426100000e-01  2.2831800000e+00  1.8341170000e+00  8.7473300000e-01  1.2129280000e+00  1.0074290000e+00
-ENERGY -1.526569997549e+02
-FORCES -1.3714000000e-03  8.8500000000e-04  4.2342000000e-03  4.0910000000e-03 -2.2245000000e-03  4.8804000000e-03  1.2441000000e-03  4.6492000000e-03 -1.6473000000e-03 -6.8179000000e-03 -1.1086600000e-02 -5.8251000000e-03  1.8831000000e-03 -9.0690000000e-04 -1.6863000000e-03  9.7120000000e-04  8.6839000000e-03  4.4100000000e-05
-
-JOB 372
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2789900000e-01  4.4134100000e-01  1.8982400000e-01  6.0206200000e-01  7.0775700000e-01 -2.2985500000e-01  1.4118480000e+00 -2.6032770000e+00  1.6346580000e+00  2.0320300000e+00 -3.3313900000e+00  1.5964690000e+00  6.0429000000e-01 -2.9560340000e+00  1.2609670000e+00
-ENERGY -1.526536163680e+02
-FORCES  8.3430000000e-04  5.1077000000e-03  6.4320000000e-04  3.2256000000e-03 -2.3948000000e-03 -7.5060000000e-04 -2.9794000000e-03 -2.4416000000e-03  3.7920000000e-04 -2.3001000000e-03 -3.2158000000e-03 -2.9659000000e-03 -2.2469000000e-03  3.3544000000e-03  2.1900000000e-05  3.4665000000e-03 -4.0980000000e-04  2.6723000000e-03
-
-JOB 373
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4791000000e-02  7.1875300000e-01 -6.2772000000e-01  9.0303600000e-01 -2.7476900000e-01  1.5893100000e-01 -8.6760700000e-01 -1.3697640000e+00 -2.7182000000e+00 -1.1553180000e+00 -1.1359430000e+00 -3.6006860000e+00 -1.3296860000e+00 -7.5794800000e-01 -2.1451410000e+00
-ENERGY -1.526554703755e+02
-FORCES  6.5223000000e-03 -2.9520000000e-04 -2.6165000000e-03 -2.3878000000e-03 -3.0394000000e-03  2.1173000000e-03 -3.4323000000e-03  2.1825000000e-03  4.3980000000e-04 -3.4655000000e-03  2.2974000000e-03  1.6793000000e-03  1.7020000000e-03 -2.1110000000e-04  4.1113000000e-03  1.0613000000e-03 -9.3420000000e-04 -5.7311000000e-03
-
-JOB 374
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9323600000e-01  8.7190900000e-01  2.6461100000e-01 -2.7188500000e-01  1.0468900000e-01 -9.1178400000e-01 -2.8150250000e+00 -3.6538600000e-01 -1.7026000000e-02 -3.3642340000e+00 -7.6077500000e-01  6.5992900000e-01 -1.9251340000e+00 -6.3835200000e-01  2.0616900000e-01
-ENERGY -1.526600523161e+02
-FORCES -1.8756000000e-03  6.7513000000e-03 -2.2403000000e-03 -2.7690000000e-04 -3.7652000000e-03 -1.8872000000e-03  2.6460000000e-04 -1.8886000000e-03  5.8608000000e-03  7.3370000000e-03 -8.7800000000e-04  4.0127000000e-03  3.0662000000e-03  1.4573000000e-03 -1.5346000000e-03 -8.5152000000e-03 -1.6769000000e-03 -4.2115000000e-03
-
-JOB 375
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9475600000e-01 -3.3856800000e-01  3.1877000000e-02  4.8348000000e-01 -5.4039800000e-01  6.2485900000e-01  2.3027890000e+00  1.2948510000e+00 -6.1181900000e-01  1.5161840000e+00  7.6496400000e-01 -7.4106000000e-01  2.1229670000e+00  2.1096930000e+00 -1.0807850000e+00
-ENERGY -1.526590895606e+02
-FORCES  2.3930000000e-03  3.4160000000e-04  1.3961000000e-03  4.2824000000e-03  1.3306000000e-03  1.6435000000e-03 -2.7819000000e-03  2.2550000000e-03 -4.9488000000e-03 -1.2107300000e-02 -1.8308000000e-03 -4.4800000000e-05  7.9239000000e-03  3.0110000000e-04  9.2360000000e-04  2.9000000000e-04 -2.3975000000e-03  1.0304000000e-03
-
-JOB 376
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3606000000e-02  6.1786400000e-01 -7.2736300000e-01  8.8320300000e-01 -3.6033400000e-01 -7.9645000000e-02 -2.3004800000e-01 -2.1365380000e+00  2.4473620000e+00  6.1188300000e-01 -1.6812950000e+00  2.4590700000e+00 -5.1015500000e-01 -2.1466460000e+00  3.3626050000e+00
-ENERGY -1.526521271685e+02
-FORCES  2.7550000000e-03  1.5960000000e-04 -4.0270000000e-03 -6.8400000000e-05 -2.7490000000e-03  3.3457000000e-03 -3.1437000000e-03  1.8382000000e-03  1.7176000000e-03  1.5282000000e-03  3.8585000000e-03  3.0879000000e-03 -2.0174000000e-03 -2.9746000000e-03 -3.5910000000e-04  9.4620000000e-04 -1.3270000000e-04 -3.7651000000e-03
-
-JOB 377
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6926200000e-01 -6.0119000000e-02 -6.8169400000e-01  4.5064900000e-01 -2.6271100000e-01  8.0257700000e-01  8.4296900000e-01  3.3388800000e+00 -6.5722700000e-01  1.4832730000e+00  4.0121040000e+00 -8.8746900000e-01  1.2409530000e+00  2.8699870000e+00  7.6244000000e-02
-ENERGY -1.526539276177e+02
-FORCES  3.4184000000e-03 -2.0749000000e-03 -1.1514000000e-03 -2.3070000000e-03 -2.9020000000e-04  3.8338000000e-03 -1.4757000000e-03  2.3031000000e-03 -3.2920000000e-03  3.0034000000e-03  5.7480000000e-04  3.0843000000e-03 -2.6955000000e-03 -3.2602000000e-03  8.2380000000e-04  5.6400000000e-05  2.7473000000e-03 -3.2985000000e-03
-
-JOB 378
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8191100000e-01  7.4082900000e-01  1.6965700000e-01  2.2269300000e-01 -6.3985400000e-01  6.7618500000e-01  1.0724860000e+00  2.4189250000e+00  4.8642400000e-01  8.6817200000e-01  3.0986110000e+00 -1.5584900000e-01  3.9428200000e-01  2.5096020000e+00  1.1557880000e+00
-ENERGY -1.526597278837e+02
-FORCES  8.6663000000e-03  1.1621100000e-02  1.5172000000e-03 -6.2860000000e-03 -8.7558000000e-03  2.1442000000e-03 -1.3120000000e-04  4.0944000000e-03 -9.1410000000e-04 -6.6665000000e-03 -1.6044000000e-03 -2.7193000000e-03  4.7070000000e-04 -2.7930000000e-03  4.1614000000e-03  3.9467000000e-03 -2.5622000000e-03 -4.1894000000e-03
-
-JOB 379
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0379600000e-01 -2.2339700000e-01  6.0909500000e-01 -4.5086400000e-01  3.3228000000e-01 -7.7623700000e-01  2.5177640000e+00 -1.7222000000e-01 -1.1497280000e+00  3.1840440000e+00  5.0913200000e-01 -1.0599330000e+00  1.7472360000e+00  1.8604400000e-01 -7.0908400000e-01
-ENERGY -1.526587207413e+02
-FORCES -1.0675000000e-03 -2.4063000000e-03  3.3410000000e-04  1.5702000000e-03  1.2937000000e-03 -3.9468000000e-03  3.9805000000e-03 -8.2550000000e-04  4.3262000000e-03 -6.2477000000e-03  1.4423000000e-03  6.2661000000e-03 -3.2947000000e-03 -1.8437000000e-03  3.8050000000e-04  5.0592000000e-03  2.3395000000e-03 -7.3601000000e-03
-
-JOB 380
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0486900000e-01 -6.6464000000e-01 -6.1769000000e-01 -4.6783200000e-01 -1.9452600000e-01  8.1211100000e-01  1.7727860000e+00  1.5363160000e+00 -2.0668570000e+00  1.2001330000e+00  1.3814590000e+00 -1.3156450000e+00  1.3245550000e+00  1.1162530000e+00 -2.8009330000e+00
-ENERGY -1.526590648593e+02
-FORCES -3.1380000000e-03 -4.3114000000e-03  2.6398000000e-03  1.1573000000e-03  3.7591000000e-03  2.2945000000e-03  1.7190000000e-03 -1.6720000000e-04 -3.9497000000e-03 -5.4330000000e-03 -3.2707000000e-03  3.4664000000e-03  4.2286000000e-03  3.1485000000e-03 -6.7779000000e-03  1.4662000000e-03  8.4160000000e-04  2.3268000000e-03
-
-JOB 381
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8128700000e-01 -7.0256800000e-01 -2.9109500000e-01  3.9425700000e-01  7.9854500000e-01 -3.5088200000e-01  1.6225530000e+00 -2.1579960000e+00 -6.2555600000e-01  1.3551300000e+00 -2.1484830000e+00 -1.5445910000e+00  1.0225920000e+00 -2.7756040000e+00 -2.0741800000e-01
-ENERGY -1.526592285985e+02
-FORCES  1.1360100000e-02 -8.1855000000e-03 -2.4367000000e-03 -9.5866000000e-03  5.6785000000e-03 -1.1266000000e-03 -6.3350000000e-04 -3.2810000000e-03  6.2200000000e-05 -3.3749000000e-03 -3.1414000000e-03 -3.2340000000e-04 -2.3980000000e-04  3.3601000000e-03  6.6882000000e-03  2.4747000000e-03  5.5693000000e-03 -2.8636000000e-03
-
-JOB 382
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8494300000e-01 -6.9329800000e-01 -5.9529600000e-01  2.6647600000e-01  7.1647600000e-01 -5.7609400000e-01 -1.2597000000e+00 -2.0881550000e+00 -1.2563900000e+00 -1.4198800000e+00 -3.0315970000e+00 -1.2342460000e+00 -6.0397900000e-01 -1.9721380000e+00 -1.9439960000e+00
-ENERGY -1.526542391926e+02
-FORCES -6.3825000000e-03 -6.8558000000e-03 -3.5653000000e-03  6.7096000000e-03  4.7458000000e-03 -5.2872000000e-03 -1.4065000000e-03 -4.3426000000e-03  3.2670000000e-04  2.1347000000e-03 -2.4919000000e-03  2.0455000000e-03  4.7540000000e-04  4.6156000000e-03 -1.7445000000e-03 -1.5307000000e-03  4.3288000000e-03  8.2247000000e-03
-
-JOB 383
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8447100000e-01 -4.4179200000e-01 -5.0254600000e-01 -5.9645700000e-01  3.4917000000e-01 -6.6223200000e-01 -1.3833830000e+00 -2.2885090000e+00  1.9368630000e+00 -1.3106810000e+00 -2.5492300000e+00  2.8549970000e+00 -4.9258800000e-01 -2.3638160000e+00  1.5947430000e+00
-ENERGY -1.526540130769e+02
-FORCES -1.8061000000e-03  9.1580000000e-04 -5.0961000000e-03 -2.9868000000e-03  5.8880000000e-04  3.2894000000e-03  3.2627000000e-03 -9.6100000000e-04  2.3374000000e-03  5.0323000000e-03  1.1003000000e-03  1.0954000000e-03 -2.8520000000e-04  1.2128000000e-03 -3.6673000000e-03 -3.2169000000e-03 -2.8567000000e-03  2.0413000000e-03
-
-JOB 384
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3227500000e-01  4.2006900000e-01 -8.2814400000e-01 -8.2275300000e-01 -3.6929400000e-01  3.2082800000e-01 -2.4354930000e+00 -1.6512870000e+00  4.4028700000e-01 -2.8651590000e+00 -9.2522200000e-01 -1.1873000000e-02 -2.4068990000e+00 -2.3546650000e+00 -2.0830700000e-01
-ENERGY -1.526575884253e+02
-FORCES -7.3295000000e-03 -4.6532000000e-03  3.7270000000e-04 -4.0990000000e-04 -1.9744000000e-03  2.8559000000e-03  4.4387000000e-03  8.0614000000e-03 -3.2789000000e-03 -2.0244000000e-03 -3.4927000000e-03 -5.1315000000e-03  6.4735000000e-03 -1.8902000000e-03  2.2391000000e-03 -1.1484000000e-03  3.9490000000e-03  2.9427000000e-03
-
-JOB 385
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2120700000e-01  7.7960200000e-01  5.0943200000e-01  4.0738900000e-01 -5.9215000000e-01  6.3215900000e-01  1.1876360000e+00 -1.7092190000e+00  1.6726910000e+00  1.7472940000e+00 -1.2013290000e+00  2.2601100000e+00  1.7881830000e+00 -2.3045770000e+00  1.2242210000e+00
-ENERGY -1.526592739683e+02
-FORCES  6.4057000000e-03 -1.0878300000e-02  1.2162200000e-02  1.9348000000e-03 -2.9036000000e-03  7.3400000000e-05 -3.2746000000e-03  8.1714000000e-03 -5.9685000000e-03  1.0795000000e-03  3.5747000000e-03 -5.1316000000e-03 -3.4745000000e-03 -1.7919000000e-03 -4.2400000000e-03 -2.6709000000e-03  3.8277000000e-03  3.1044000000e-03
-
-JOB 386
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8252000000e-02 -5.4167500000e-01 -7.8623300000e-01 -8.5931600000e-01 -2.1268400000e-01  3.6410500000e-01  8.5704700000e-01 -1.4285660000e+00 -1.9811360000e+00  1.8027860000e+00 -1.3334820000e+00 -2.0941310000e+00  5.0828300000e-01 -1.4348520000e+00 -2.8725150000e+00
-ENERGY -1.526584743208e+02
-FORCES  5.5089000000e-03 -1.0687100000e-02 -1.3391500000e-02 -5.2180000000e-03  4.7251000000e-03  6.1556000000e-03  2.3498000000e-03 -9.6390000000e-04 -3.5086000000e-03  5.8900000000e-04  7.7052000000e-03  7.6632000000e-03 -5.0805000000e-03 -1.3568000000e-03 -1.8976000000e-03  1.8507000000e-03  5.7760000000e-04  4.9788000000e-03
-
-JOB 387
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4655700000e-01 -1.0519800000e-01 -8.8603800000e-01  8.5388700000e-01  4.1443000000e-01 -1.2392400000e-01 -9.0937400000e-01  2.6643430000e+00  4.0855000000e-01 -1.8429540000e+00  2.6955930000e+00  1.9954600000e-01 -6.4331100000e-01  1.7722490000e+00  1.8581600000e-01
-ENERGY -1.526585498472e+02
-FORCES  3.7345000000e-03 -1.1159000000e-03 -3.2366000000e-03  5.5700000000e-04  3.5490000000e-03  5.7742000000e-03 -7.6476000000e-03  4.1470000000e-04  8.2340000000e-04 -3.1240000000e-04 -1.2296000000e-02 -1.5790000000e-04  3.1159000000e-03 -9.0950000000e-04 -1.2170000000e-04  5.5250000000e-04  1.0357600000e-02 -3.0815000000e-03
-
-JOB 388
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5837600000e-01 -2.4465000000e-02  8.8724300000e-01  4.6914300000e-01 -8.2922900000e-01 -9.2279000000e-02 -2.4350140000e+00 -1.5233120000e+00 -1.0385080000e+00 -3.2229900000e+00 -1.4777960000e+00 -1.5800360000e+00 -2.0436110000e+00 -6.5277900000e-01 -1.1106690000e+00
-ENERGY -1.526597849351e+02
-FORCES  1.6405000000e-03 -5.5279000000e-03  4.4289000000e-03  1.4144000000e-03  7.4160000000e-04 -4.1668000000e-03 -1.3128000000e-03  4.3995000000e-03  6.3870000000e-04  1.2421000000e-03  4.8663000000e-03 -1.6343000000e-03  3.4368000000e-03  7.0160000000e-04  2.1083000000e-03 -6.4211000000e-03 -5.1810000000e-03 -1.3748000000e-03
-
-JOB 389
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1979000000e-02  9.2135900000e-01  2.5750000000e-01 -7.3306100000e-01 -1.0528000000e-01 -6.0644100000e-01 -1.3320780000e+00  1.6796510000e+00 -2.1758920000e+00 -5.9154900000e-01  2.1396510000e+00 -1.7806070000e+00 -9.3238600000e-01  9.7528300000e-01 -2.6861310000e+00
-ENERGY -1.526554974016e+02
-FORCES -7.2863000000e-03  5.3598000000e-03 -2.1818000000e-03  2.2213000000e-03 -2.0659000000e-03 -1.7281000000e-03  5.0338000000e-03 -2.6229000000e-03  9.2640000000e-04  7.0930000000e-03 -2.2600000000e-04 -1.6986000000e-03 -3.9315000000e-03 -2.1710000000e-03  6.4780000000e-04 -3.1303000000e-03  1.7261000000e-03  4.0343000000e-03
-
-JOB 390
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0600000000e-04 -4.0253700000e-01 -8.6844400000e-01 -2.7851000000e-02  9.4125200000e-01 -1.7175800000e-01  2.0171840000e+00 -1.8006440000e+00  8.9876400000e-01  1.4472090000e+00 -2.4343620000e+00  1.3343810000e+00  1.4221590000e+00 -1.1217700000e+00  5.8047700000e-01
-ENERGY -1.526607845047e+02
-FORCES  4.9300000000e-05  2.9411000000e-03 -2.6409000000e-03  1.9912000000e-03  1.5798000000e-03  6.0113000000e-03 -4.9060000000e-04 -4.9221000000e-03 -3.1710000000e-04 -9.4552000000e-03  6.6915000000e-03  1.2390000000e-04  1.6521000000e-03  1.5527000000e-03 -1.8162000000e-03  6.2533000000e-03 -7.8431000000e-03 -1.3609000000e-03
-
-JOB 391
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5186600000e-01 -6.0257800000e-01 -6.9978300000e-01  2.3790300000e-01 -5.6865200000e-01  7.3230400000e-01 -2.4075960000e+00  1.2761420000e+00  1.0111830000e+00 -1.6803790000e+00  6.5376300000e-01  1.0168250000e+00 -2.9865800000e+00  9.7507000000e-01  1.7114440000e+00
-ENERGY -1.526575907187e+02
-FORCES  1.6829000000e-03 -3.9623000000e-03 -3.8645000000e-03  1.4889000000e-03  2.5243000000e-03  4.2714000000e-03 -4.9183000000e-03  4.1528000000e-03 -2.4412000000e-03  6.1526000000e-03 -3.8449000000e-03 -1.4162000000e-03 -7.9035000000e-03  1.3484000000e-03  6.1862000000e-03  3.4975000000e-03 -2.1820000000e-04 -2.7357000000e-03
-
-JOB 392
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5415000000e-01 -1.7833000000e-02  7.4241000000e-02  2.2611300000e-01 -8.4397900000e-01 -3.9090200000e-01  8.8836200000e-01 -2.2308180000e+00 -1.3510570000e+00  2.7884300000e-01 -2.3559110000e+00 -2.0784300000e+00  1.1095670000e+00 -3.1180560000e+00 -1.0680200000e+00
-ENERGY -1.526601400792e+02
-FORCES  3.0766000000e-03 -1.1063900000e-02 -4.9924000000e-03  2.9640000000e-03 -1.2272000000e-03 -1.3757000000e-03 -5.5448000000e-03  8.4614000000e-03  3.3466000000e-03 -9.2840000000e-04 -8.2640000000e-04  3.9840000000e-04  2.2040000000e-03  5.8760000000e-04  5.2735000000e-03 -1.7715000000e-03  4.0685000000e-03 -2.6504000000e-03
-
-JOB 393
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3478100000e-01 -7.0541800000e-01  1.2518600000e-01  4.1694300000e-01  5.8928400000e-01 -6.2859800000e-01  3.3236700000e-01  2.0393080000e+00 -1.6779590000e+00 -2.5202700000e-01  2.7801260000e+00 -1.5170090000e+00  8.6523800000e-01  2.3118690000e+00 -2.4249470000e+00
-ENERGY -1.526594473456e+02
-FORCES  2.6396000000e-03  9.1174000000e-03 -8.2857000000e-03 -8.2810000000e-04  3.3908000000e-03 -2.1996000000e-03  4.9480000000e-04 -7.4018000000e-03  5.4660000000e-03 -3.2950000000e-03 -2.1344000000e-03  4.2254000000e-03  3.8008000000e-03 -2.1798000000e-03 -2.8588000000e-03 -2.8121000000e-03 -7.9220000000e-04  3.6528000000e-03
-
-JOB 394
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7775600000e-01 -8.0338300000e-01  2.0629400000e-01  3.6534900000e-01 -1.5500000000e-01 -8.7104900000e-01  1.9068650000e+00  8.0705500000e-01  1.4918650000e+00  1.7556440000e+00  1.5437920000e+00  2.0839650000e+00  1.0684770000e+00  6.8007100000e-01  1.0477790000e+00
-ENERGY -1.526581749480e+02
-FORCES  1.2393200000e-02  1.1575000000e-03  7.2820000000e-03  2.4257000000e-03  3.6655000000e-03 -2.4528000000e-03 -3.0899000000e-03 -4.6080000000e-04  4.4060000000e-03 -1.5378200000e-02 -6.2109000000e-03 -1.1349100000e-02 -2.5729000000e-03 -2.6750000000e-03 -2.9020000000e-03  6.2222000000e-03  4.5237000000e-03  5.0159000000e-03
-
-JOB 395
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1662300000e-01  3.0045000000e-01  8.8263000000e-01 -6.8602400000e-01  3.7102100000e-01 -5.5493000000e-01 -1.9106600000e-01  2.9568840000e+00  2.2582000000e+00 -7.9090500000e-01  2.2210630000e+00  2.3806350000e+00 -6.3334600000e-01  3.6983850000e+00  2.6714760000e+00
-ENERGY -1.526526080514e+02
-FORCES -2.4827000000e-03  4.2183000000e-03  9.2990000000e-04 -8.9420000000e-04 -1.6752000000e-03 -2.3945000000e-03  2.4173000000e-03 -2.1338000000e-03  2.4136000000e-03 -4.3075000000e-03  1.6197000000e-03  3.2873000000e-03  3.2212000000e-03  1.1963000000e-03 -2.2783000000e-03  2.0459000000e-03 -3.2252000000e-03 -1.9579000000e-03
-
-JOB 396
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0336300000e-01 -2.8687700000e-01 -4.3421300000e-01  8.0670000000e-03 -4.7747100000e-01  8.2957100000e-01 -1.1156800000e-01 -1.2319510000e+00  2.2528820000e+00  6.3590600000e-01 -1.7568370000e+00  2.5392570000e+00 -3.8129000000e-01 -7.5139400000e-01  3.0355360000e+00
-ENERGY -1.526581838464e+02
-FORCES -2.4140000000e-03 -1.1477500000e-02  1.8875700000e-02  1.6154000000e-03  2.7440000000e-04  2.2127000000e-03  1.1009000000e-03  3.1145000000e-03 -6.9900000000e-03  1.6345000000e-03  8.0998000000e-03 -1.0021300000e-02 -4.2542000000e-03  3.7594000000e-03 -6.9960000000e-04  2.3174000000e-03 -3.7706000000e-03 -3.3775000000e-03
-
-JOB 397
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8256000000e-01 -4.7987900000e-01  5.8870400000e-01  5.0228600000e-01  9.5777000000e-02 -8.0917700000e-01 -1.7961820000e+00  1.9665920000e+00  7.9945700000e-01 -1.5113310000e+00  2.5118920000e+00  1.5327650000e+00 -1.0620760000e+00  1.3726710000e+00  6.4268600000e-01
-ENERGY -1.526608185108e+02
-FORCES  1.2005000000e-03  2.8120000000e-04 -1.1617000000e-03 -2.3289000000e-03  3.0480000000e-03 -3.2552000000e-03 -1.5783000000e-03 -1.2612000000e-03  4.7066000000e-03  8.3147000000e-03 -7.4232000000e-03 -2.0285000000e-03  3.3590000000e-04 -2.7040000000e-03 -2.1902000000e-03 -5.9438000000e-03  8.0592000000e-03  3.9290000000e-03
-
-JOB 398
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5432500000e-01  5.9505700000e-01  3.6605700000e-01  7.3637100000e-01  4.8666000000e-02  6.0960800000e-01  2.2484790000e+00  5.0871000000e-02  1.3766810000e+00  2.7888460000e+00 -6.1227500000e-01  1.8061840000e+00  2.3096960000e+00  8.1683400000e-01  1.9474570000e+00
-ENERGY -1.526580358682e+02
-FORCES  1.3492400000e-02 -3.5450000000e-04  8.9826000000e-03  3.8622000000e-03 -1.0010000000e-03  5.2040000000e-04 -8.2308000000e-03  3.3308000000e-03 -3.0289000000e-03 -5.6859000000e-03 -2.2859000000e-03 -2.5531000000e-03 -1.6014000000e-03  5.0166000000e-03 -1.1073000000e-03 -1.8365000000e-03 -4.7060000000e-03 -2.8137000000e-03
-
-JOB 399
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0486100000e-01  3.3395400000e-01 -3.9611400000e-01 -1.3365900000e-01  1.0705100000e-01  9.4175700000e-01  1.6345770000e+00  1.7995870000e+00 -1.4011380000e+00  2.2169210000e+00  1.3057760000e+00 -1.9784220000e+00  1.2763100000e+00  1.1434410000e+00 -8.0335100000e-01
-ENERGY -1.526618396233e+02
-FORCES -3.9142000000e-03  2.7421000000e-03  1.3780000000e-04  4.4332000000e-03 -1.7464000000e-03  2.9444000000e-03  5.1820000000e-04  1.7910000000e-04 -5.1013000000e-03 -4.1976000000e-03 -9.7507000000e-03  5.3395000000e-03 -2.2052000000e-03  9.0380000000e-04  1.9806000000e-03  5.3655000000e-03  7.6720000000e-03 -5.3011000000e-03
-
-JOB 400
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2780200000e-01 -7.5101600000e-01 -2.7135300000e-01 -2.6871300000e-01  4.1345400000e-01 -8.2041500000e-01 -3.0156940000e+00  3.3985900000e-01  1.3766590000e+00 -3.8660930000e+00  3.0536600000e-01  1.8146800000e+00 -3.2112290000e+00  6.6615600000e-01  4.9829200000e-01
-ENERGY -1.526515643805e+02
-FORCES  8.3580000000e-04 -1.9714000000e-03 -3.7578000000e-03 -2.0805000000e-03  3.2471000000e-03  1.2392000000e-03  2.2580000000e-04 -1.4298000000e-03  3.4242000000e-03 -3.3824000000e-03  1.3083000000e-03 -2.4526000000e-03  4.0524000000e-03 -1.7980000000e-04 -1.6617000000e-03  3.4900000000e-04 -9.7440000000e-04  3.2086000000e-03
-
-JOB 401
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7933600000e-01 -6.7342200000e-01  3.5173000000e-02  8.2034100000e-01 -4.8064800000e-01  1.1068100000e-01 -2.2288360000e+00 -2.0521320000e+00 -2.6912700000e-01 -2.3157340000e+00 -1.5273930000e+00 -1.0649470000e+00 -2.5648440000e+00 -1.4885660000e+00  4.2781300000e-01
-ENERGY -1.526585359563e+02
-FORCES -1.0321000000e-03 -9.0290000000e-03  2.7600000000e-04  1.1762000000e-03  8.6093000000e-03  4.6860000000e-04 -2.7156000000e-03  2.0040000000e-03 -3.8870000000e-04 -6.2176000000e-03  2.1477000000e-03 -2.0943000000e-03  2.7686000000e-03 -2.0112000000e-03  5.8969000000e-03  6.0205000000e-03 -1.7209000000e-03 -4.1585000000e-03
-
-JOB 402
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2166000000e-02 -6.8233200000e-01  6.6626100000e-01  6.9901300000e-01 -1.9010300000e-01 -6.2567800000e-01  2.6514160000e+00 -5.1970500000e-01 -1.3955030000e+00  2.5291240000e+00  8.8049000000e-02 -2.1248260000e+00  3.4101790000e+00 -1.0464150000e+00 -1.6466750000e+00
-ENERGY -1.526593107816e+02
-FORCES  7.9306000000e-03 -5.0103000000e-03 -5.4860000000e-04 -1.3315000000e-03  2.1692000000e-03 -1.4911000000e-03 -7.0982000000e-03  3.9426000000e-03  4.4750000000e-04  4.3271000000e-03 -6.4330000000e-04 -3.1222000000e-03 -1.0189000000e-03 -3.6241000000e-03  4.1795000000e-03 -2.8091000000e-03  3.1659000000e-03  5.3490000000e-04
-
-JOB 403
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5702000000e-01 -6.1450600000e-01 -3.2701500000e-01 -3.3696000000e-02 -9.6614000000e-02  9.5171500000e-01  2.9671400000e-01  2.5949560000e+00 -1.0446080000e+00  6.0923300000e-01  1.9318540000e+00 -4.2909300000e-01 -3.1763000000e-01  2.1269390000e+00 -1.6100930000e+00
-ENERGY -1.526573513313e+02
-FORCES -3.4205000000e-03  4.6670000000e-04 -1.7700000000e-04  2.6940000000e-03  2.9144000000e-03  1.8199000000e-03  5.6230000000e-04  1.3565000000e-03 -4.9055000000e-03 -3.0881000000e-03 -1.3864500000e-02  2.7284000000e-03  2.7802000000e-03  6.0694000000e-03  1.4216000000e-03  4.7220000000e-04  3.0576000000e-03 -8.8730000000e-04
-
-JOB 404
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8986700000e-01  8.0738200000e-01  1.5619500000e-01 -8.9858300000e-01  2.1176700000e-01  2.5285300000e-01  1.8539810000e+00  1.8883640000e+00  7.4496600000e-01  2.0166810000e+00  1.5275000000e+00  1.6164810000e+00  2.1058550000e+00  2.8091240000e+00  8.1561700000e-01
-ENERGY -1.526607219009e+02
-FORCES  5.2873000000e-03  9.7987000000e-03  1.7323000000e-03 -6.1179000000e-03 -7.8061000000e-03  1.3350000000e-04  3.3496000000e-03  3.0550000000e-04 -1.5630000000e-04 -2.8010000000e-04 -7.5680000000e-04  1.6497000000e-03 -1.5765000000e-03  3.1422000000e-03 -4.5253000000e-03 -6.6240000000e-04 -4.6835000000e-03  1.1660000000e-03
-
-JOB 405
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5572900000e-01 -7.2375400000e-01 -4.2979400000e-01 -7.7554900000e-01  1.5007300000e-01 -5.4058600000e-01 -1.6120700000e-01  2.6994570000e+00  5.8082200000e-01  7.4345000000e-02  1.7717070000e+00  5.7579200000e-01 -4.3030300000e-01  2.8738500000e+00  1.4827120000e+00
-ENERGY -1.526612092010e+02
-FORCES -1.1250000000e-04  1.1880000000e-03 -3.2527000000e-03 -3.7120000000e-03  2.7079000000e-03  9.4730000000e-04  4.8852000000e-03 -1.0296000000e-03  3.1741000000e-03  2.7322000000e-03 -9.7729000000e-03  1.2337000000e-03 -4.5657000000e-03  8.5032000000e-03  7.5810000000e-04  7.7280000000e-04 -1.5966000000e-03 -2.8603000000e-03
-
-JOB 406
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7803600000e-01  6.1563600000e-01 -4.5066400000e-01  3.5464000000e-01 -5.5095700000e-01 -6.9778800000e-01  1.2717830000e+00 -2.7997550000e+00 -3.7118800000e-01  7.2696100000e-01 -2.7848630000e+00 -1.1580680000e+00  1.7289860000e+00 -3.6397290000e+00 -4.1171100000e-01
-ENERGY -1.526530930873e+02
-FORCES  1.2484000000e-03 -1.0418000000e-03 -3.3785000000e-03  2.4106000000e-03 -3.2100000000e-03  1.7534000000e-03 -4.1070000000e-03  2.5894000000e-03 -9.5900000000e-05  5.4200000000e-05 -5.4578000000e-03 -1.9370000000e-03  2.7882000000e-03  3.5916000000e-03  3.2906000000e-03 -2.3944000000e-03  3.5286000000e-03  3.6750000000e-04
-
-JOB 407
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8525100000e-01 -4.9632700000e-01 -6.5910700000e-01  6.4754400000e-01  1.9717300000e-01  6.7678700000e-01 -2.3646780000e+00  1.0534990000e+00  1.5202630000e+00 -1.7649970000e+00  7.8541100000e-01  8.2402700000e-01 -1.8126700000e+00  1.1220880000e+00  2.2992460000e+00
-ENERGY -1.526593112473e+02
-FORCES  4.1729000000e-03 -2.1707000000e-03 -1.2031000000e-03 -8.5740000000e-04  2.2705000000e-03  3.6847000000e-03 -3.8017000000e-03 -6.9280000000e-04 -2.6944000000e-03  7.1579000000e-03 -3.2834000000e-03 -3.0697000000e-03 -5.4797000000e-03  3.8963000000e-03  5.5884000000e-03 -1.1920000000e-03 -1.9900000000e-05 -2.3059000000e-03
-
-JOB 408
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1312000000e-01  2.6884800000e-01 -5.7914800000e-01  7.8419800000e-01  4.7742000000e-02 -5.4679600000e-01 -2.2525790000e+00  1.1698350000e+00 -1.0579960000e+00 -2.5290840000e+00  1.0898850000e+00 -1.9708960000e+00 -3.0702250000e+00  1.1960570000e+00 -5.6100600000e-01
-ENERGY -1.526599512163e+02
-FORCES -8.7164000000e-03  5.9326000000e-03 -5.5188000000e-03  8.7978000000e-03 -5.1371000000e-03  1.3081000000e-03 -3.5540000000e-03  3.3330000000e-04  3.8800000000e-04 -1.5051000000e-03 -1.3730000000e-03  3.1367000000e-03  2.0167000000e-03 -1.7150000000e-04  4.8150000000e-03  2.9610000000e-03  4.1580000000e-04 -4.1290000000e-03
-
-JOB 409
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9353900000e-01 -8.1839600000e-01 -4.0036900000e-01 -8.3924100000e-01 -2.1853200000e-01  4.0515400000e-01 -8.4659000000e-02  1.1739480000e+00 -3.0843690000e+00 -4.3896600000e-01  4.5045500000e-01 -2.5674000000e+00 -8.5662000000e-01  1.6308730000e+00 -3.4183260000e+00
-ENERGY -1.526542563775e+02
-FORCES -2.8670000000e-04 -3.9763000000e-03  3.0022000000e-03 -2.7677000000e-03  4.4803000000e-03  5.8800000000e-05  3.5083000000e-03  1.2500000000e-03 -2.9324000000e-03 -4.2638000000e-03 -5.6160000000e-04  4.1347000000e-03  9.3520000000e-04  6.4060000000e-04 -5.5704000000e-03  2.8747000000e-03 -1.8330000000e-03  1.3070000000e-03
-
-JOB 410
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0722600000e-01  6.9328800000e-01  6.5121900000e-01  8.7571100000e-01 -3.7349500000e-01 -9.9314000000e-02 -2.1822100000e+00 -1.5831920000e+00  8.3724000000e-01 -2.4435490000e+00 -1.3232590000e+00 -4.6144000000e-02 -1.3638940000e+00 -1.1119560000e+00  9.9385100000e-01
-ENERGY -1.526588734978e+02
-FORCES  2.7199000000e-03  2.7600000000e-04 -1.7900000000e-05 -1.5889000000e-03 -5.6522000000e-03 -2.1155000000e-03 -4.6101000000e-03  2.1287000000e-03  1.2052000000e-03  9.5245000000e-03  7.6999000000e-03 -7.6996000000e-03 -1.8164000000e-03 -1.9644000000e-03  2.3954000000e-03 -4.2290000000e-03 -2.4879000000e-03  6.2324000000e-03
-
-JOB 411
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8952600000e-01  2.4430000000e-02 -9.3793100000e-01 -1.7812500000e-01  9.1124800000e-01  2.3265900000e-01  5.2137900000e-01  4.6070000000e-02 -2.6638110000e+00  1.7722100000e-01  5.2168400000e-01 -3.4198390000e+00  1.2055460000e+00 -5.1711600000e-01 -3.0257080000e+00
-ENERGY -1.526602770568e+02
-FORCES  2.1756000000e-03  2.8722000000e-03 -1.3718700000e-02 -3.3430000000e-04 -1.1504000000e-03  8.4150000000e-03  1.8550000000e-04 -2.2115000000e-03 -1.3734000000e-03 -1.2297000000e-03 -1.2540000000e-04  3.7133000000e-03  3.0691000000e-03 -2.7746000000e-03  2.4444000000e-03 -3.8662000000e-03  3.3897000000e-03  5.1950000000e-04
-
-JOB 412
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8080400000e-01 -7.9974700000e-01  4.4473200000e-01  1.3592400000e-01 -1.8211200000e-01 -9.2983400000e-01 -1.3424480000e+00  2.7345440000e+00  1.9935800000e-01 -1.2291710000e+00  3.6819250000e+00  1.2274700000e-01 -5.7448000000e-01  2.3650050000e+00 -2.3641500000e-01
-ENERGY -1.526555669263e+02
-FORCES  5.9000000000e-04 -5.8546000000e-03  2.6690000000e-04 -1.1728000000e-03  2.9482000000e-03 -2.5219000000e-03 -2.7780000000e-04  2.6989000000e-03  4.1673000000e-03  4.7438000000e-03 -1.0727000000e-03 -1.0753000000e-03 -1.2450000000e-04 -4.1465000000e-03  3.4800000000e-04 -3.7588000000e-03  5.4267000000e-03 -1.1850000000e-03
-
-JOB 413
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3003000000e-01  3.5950000000e-01  8.7754400000e-01  2.7344400000e-01  7.4981600000e-01 -5.2842800000e-01  3.7064420000e+00  4.4244000000e-02  7.5390000000e-02  3.2642870000e+00 -8.1416000000e-02 -7.6421800000e-01  4.0476800000e+00  9.3766600000e-01  3.5571000000e-02
-ENERGY -1.526537456919e+02
-FORCES  1.3802000000e-03  4.4263000000e-03  3.1167000000e-03 -4.5650000000e-04 -1.1514000000e-03 -3.8429000000e-03 -6.3010000000e-04 -3.2216000000e-03  1.2334000000e-03 -8.8670000000e-04  1.6856000000e-03 -3.7522000000e-03  2.6706000000e-03  1.6822000000e-03  2.9521000000e-03 -2.0774000000e-03 -3.4212000000e-03  2.9290000000e-04
-
-JOB 414
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0024700000e-01  6.0098000000e-02 -3.1965000000e-01  4.7146300000e-01  6.7991200000e-01 -4.8132600000e-01 -1.5509100000e-01 -6.4229200000e-01  2.7295020000e+00  7.2263000000e-02 -4.5782400000e-01  1.8181770000e+00  2.6753100000e-01  5.6726000000e-02  3.2284970000e+00
-ENERGY -1.526611467924e+02
-FORCES -2.6045000000e-03  2.0293000000e-03  2.3770000000e-04  5.1201000000e-03  5.0590000000e-04  6.0920000000e-04 -3.1475000000e-03 -2.7715000000e-03  1.9705000000e-03  2.7465000000e-03  4.7027000000e-03 -1.0326500000e-02 -1.1190000000e-03 -2.7907000000e-03  9.5450000000e-03 -9.9560000000e-04 -1.6757000000e-03 -2.0358000000e-03
-
-JOB 415
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3375300000e-01 -4.6501000000e-01 -8.2589800000e-01 -3.3901500000e-01  8.5681200000e-01 -2.5917800000e-01 -2.9184700000e-01  8.5375300000e-01  2.7472160000e+00  6.3190000000e-03  4.7912000000e-01  1.9183740000e+00 -9.4288100000e-01  1.5082970000e+00  2.4943170000e+00
-ENERGY -1.526583194371e+02
-FORCES -1.8380000000e-04 -4.4720000000e-04 -3.4015000000e-03 -1.4556000000e-03  3.4030000000e-03  2.7454000000e-03  1.5115000000e-03 -4.0659000000e-03  3.3055000000e-03 -5.5960000000e-04 -3.0952000000e-03 -8.3638000000e-03 -1.7300000000e-03  5.8359000000e-03  5.9896000000e-03  2.4176000000e-03 -1.6306000000e-03 -2.7520000000e-04
-
-JOB 416
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1505400000e-01 -4.5454000000e-02  4.9985300000e-01  2.5401300000e-01 -2.2736700000e-01 -8.9443500000e-01 -1.2603400000e+00  2.2968820000e+00 -3.0895600000e-01 -8.3568200000e-01  1.4392190000e+00 -3.2659200000e-01 -5.4132100000e-01  2.9183890000e+00 -1.9505400000e-01
-ENERGY -1.526568601588e+02
-FORCES -3.0640000000e-04  7.6318000000e-03  1.0727000000e-03 -3.5684000000e-03 -2.0880000000e-04 -3.9440000000e-03 -2.1478000000e-03  4.6886000000e-03  5.2545000000e-03  1.1084400000e-02 -1.5496100000e-02  4.3817000000e-03 -3.8663000000e-03  5.6465000000e-03 -6.6139000000e-03 -1.1955000000e-03 -2.2619000000e-03 -1.5100000000e-04
-
-JOB 417
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1649200000e-01 -1.5139500000e-01 -2.3098300000e-01 -3.7291000000e-02  5.5946800000e-01  7.7578200000e-01 -3.2986690000e+00 -1.5665460000e+00  9.9163400000e-01 -3.2689510000e+00 -1.5911010000e+00  1.9480580000e+00 -3.7656530000e+00 -2.3650180000e+00  7.4546200000e-01
-ENERGY -1.526568816285e+02
-FORCES -5.5760000000e-03  6.1480000000e-04  2.3430000000e-03  5.7324000000e-03  2.1451000000e-03 -2.9440000000e-04  6.5610000000e-04 -1.8961000000e-03 -2.6449000000e-03 -2.2692000000e-03 -4.6074000000e-03  3.2885000000e-03 -2.8750000000e-04  3.6190000000e-04 -3.9927000000e-03  1.7441000000e-03  3.3817000000e-03  1.3005000000e-03
-
-JOB 418
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1132900000e-01 -1.2663500000e-01 -9.2495200000e-01  4.5882400000e-01 -8.0100400000e-01  2.5319000000e-01 -1.1579900000e-01 -7.8786900000e-01 -2.7454490000e+00  8.0459200000e-01 -1.0182230000e+00 -2.8721410000e+00 -3.0318000000e-01 -1.5703200000e-01 -3.4405500000e+00
-ENERGY -1.526605284335e+02
-FORCES -8.9190000000e-04 -6.0730000000e-03 -1.0778600000e-02  1.0459000000e-03  3.8548000000e-03  9.0403000000e-03 -4.0780000000e-04  2.4532000000e-03 -8.4680000000e-04  3.5659000000e-03  1.5159000000e-03 -2.4405000000e-03 -4.8525000000e-03  1.2796000000e-03  1.1876000000e-03  1.5403000000e-03 -3.0305000000e-03  3.8380000000e-03
-
-JOB 419
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9117200000e-01  8.7317200000e-01 -2.8066000000e-02 -1.9278400000e-01 -3.2113400000e-01  8.8087400000e-01 -5.8875300000e-01  2.5447530000e+00 -1.0870880000e+00  4.8841000000e-02  3.1724110000e+00 -7.4686400000e-01 -3.1354700000e-01  2.3889150000e+00 -1.9905300000e+00
-ENERGY -1.526610045668e+02
-FORCES -3.7626000000e-03  8.0207000000e-03 -1.7138000000e-03  2.8213000000e-03 -9.0353000000e-03  5.5778000000e-03  2.5470000000e-04  2.9957000000e-03 -2.8214000000e-03  4.9190000000e-03 -5.9070000000e-04 -4.2407000000e-03 -3.0248000000e-03 -3.6449000000e-03 -1.0919000000e-03 -1.2075000000e-03  2.2545000000e-03  4.2900000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3336200000e-01  6.1908900000e-01 -6.9174000000e-01  9.5494600000e-01 -5.3538000000e-02 -3.7987000000e-02  2.6545100000e+00 -1.5560900000e-01  4.5700000000e-04  2.8340690000e+00 -1.0836290000e+00 -1.5043900000e-01  3.2266360000e+00  3.0270500000e-01 -6.1505300000e-01
-ENERGY -1.526589508843e+02
-FORCES  1.7820500000e-02  1.6861000000e-03 -1.2355000000e-03  1.9219000000e-03 -1.4586000000e-03  1.5283000000e-03 -9.4515000000e-03 -2.8940000000e-03 -3.9910000000e-04 -5.3828000000e-03  2.3900000000e-05 -2.6028000000e-03 -2.0052000000e-03  5.9592000000e-03 -5.0200000000e-05 -2.9029000000e-03 -3.3165000000e-03  2.7593000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1535600000e-01  8.3651400000e-01  4.1242900000e-01  5.9783500000e-01 -6.1192000000e-02 -7.4503700000e-01 -2.6667650000e+00 -5.0943000000e-02 -1.6355100000e-01 -2.8973660000e+00  6.9852900000e-01  3.8539900000e-01 -1.7097200000e+00 -6.7186000000e-02 -1.5780700000e-01
-ENERGY -1.526586434008e+02
-FORCES -4.9831000000e-03  2.1096000000e-03 -2.3896000000e-03 -2.3180000000e-03 -4.2006000000e-03 -2.8825000000e-03 -2.6360000000e-03  1.3183000000e-03  4.5418000000e-03  1.7214000000e-02  8.6920000000e-04  1.8629000000e-03  2.2672000000e-03 -1.5483000000e-03 -1.2718000000e-03 -9.5441000000e-03  1.4517000000e-03  1.3930000000e-04
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2129500000e-01  1.1850700000e-01 -8.5129200000e-01 -9.3105100000e-01 -8.9501000000e-02 -2.0338300000e-01  3.3606810000e+00 -1.0691400000e-01 -1.3283000000e-01  3.0940040000e+00 -9.6941300000e-01  1.8530700000e-01  2.9816390000e+00 -4.6828000000e-02 -1.0097270000e+00
-ENERGY -1.526528814546e+02
-FORCES -2.3838000000e-03  1.5289000000e-03 -4.0104000000e-03 -8.8930000000e-04 -1.7269000000e-03  2.6135000000e-03  4.3675000000e-03  3.5300000000e-04  1.0312000000e-03 -3.6241000000e-03 -3.7180000000e-03 -4.5490000000e-04  2.5294000000e-03  3.2782000000e-03 -2.1508000000e-03  3.0000000000e-07  2.8480000000e-04  2.9715000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4174600000e-01  1.2645600000e-01  1.1556200000e-01 -3.3755700000e-01 -1.1452700000e-01  8.8835300000e-01 -4.0314200000e-01  3.0979330000e+00  1.3899330000e+00 -4.9040000000e-02  2.3592620000e+00  1.8851190000e+00  1.4656900000e-01  3.1482060000e+00  6.0793500000e-01
-ENERGY -1.526529707820e+02
-FORCES  1.0119000000e-03 -1.1719000000e-03  3.6706000000e-03 -4.3910000000e-03  1.0638000000e-03  3.0000000000e-07  2.6073000000e-03  1.2325000000e-03 -3.2036000000e-03  3.2036000000e-03 -4.2934000000e-03 -3.7018000000e-03 -1.2402000000e-03  1.9728000000e-03 -7.7880000000e-04 -1.1917000000e-03  1.1962000000e-03  4.0133000000e-03
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5872800000e-01  8.6329700000e-01 -3.2250600000e-01  9.5382600000e-01 -9.9950000000e-03 -7.9671000000e-02 -1.6936820000e+00 -1.8319860000e+00 -1.5038740000e+00 -1.0467030000e+00 -1.4677560000e+00 -8.9973300000e-01 -2.5165190000e+00 -1.4094190000e+00 -1.2576880000e+00
-ENERGY -1.526607289854e+02
-FORCES  1.9730000000e-03  3.8229000000e-03 -3.1190000000e-03  1.5027000000e-03 -3.9304000000e-03  2.0329000000e-03 -4.7564000000e-03  3.7670000000e-04  3.4900000000e-05  3.9022000000e-03  7.0937000000e-03  7.3309000000e-03 -4.9049000000e-03 -6.6092000000e-03 -4.9839000000e-03  2.2835000000e-03 -7.5370000000e-04 -1.2957000000e-03
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3115900000e-01  2.1915700000e-01  3.3830000000e-02  2.2969300000e-01  7.0771000000e-02 -9.2653400000e-01  1.7045700000e+00 -1.8737100000e+00  1.3701380000e+00  9.6658100000e-01 -1.6116910000e+00  8.1973000000e-01  1.5939180000e+00 -1.3691990000e+00  2.1760260000e+00
-ENERGY -1.526598516368e+02
-FORCES -9.3780000000e-04  2.0030000000e-03 -3.1837000000e-03  4.8170000000e-03 -1.0505000000e-03 -1.9690000000e-04 -2.0195000000e-03 -9.8940000000e-04  4.7130000000e-03 -7.3711000000e-03  9.2203000000e-03 -2.0665000000e-03  4.5940000000e-03 -6.7499000000e-03  1.9407000000e-03  9.1730000000e-04 -2.4335000000e-03 -1.2065000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1388000000e-02 -4.0916100000e-01  8.6477400000e-01 -8.0937200000e-01 -2.7999900000e-01 -4.2749300000e-01  1.7251770000e+00 -1.9037420000e+00 -1.6322180000e+00  1.2072070000e+00 -1.1219340000e+00 -1.4406050000e+00  1.3527410000e+00 -2.5823220000e+00 -1.0691440000e+00
-ENERGY -1.526582609223e+02
-FORCES -3.5326000000e-03 -1.5842000000e-03  4.7668000000e-03 -4.7780000000e-04  1.3727000000e-03 -4.5612000000e-03  5.9634000000e-03 -2.1880000000e-04  9.6280000000e-04 -5.2034000000e-03  4.6875000000e-03  6.8548000000e-03  2.2203000000e-03 -5.6381000000e-03 -6.1553000000e-03  1.0301000000e-03  1.3809000000e-03 -1.8678000000e-03
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0790100000e-01 -9.4874600000e-01 -6.6861000000e-02  6.3748700000e-01  3.5815900000e-01 -6.1770900000e-01 -1.4099560000e+00 -1.5269970000e+00  2.7467160000e+00 -1.5155280000e+00 -2.4153300000e+00  2.4062010000e+00 -4.7936800000e-01 -1.4611200000e+00  2.9609520000e+00
-ENERGY -1.526528730143e+02
-FORCES  1.8610000000e-03 -2.6773000000e-03 -3.0475000000e-03  5.9330000000e-04  3.5719000000e-03  2.0330000000e-04 -2.8284000000e-03 -1.4862000000e-03  3.0586000000e-03  3.3453000000e-03 -1.6667000000e-03 -1.0340000000e-04  9.3330000000e-04  3.8012000000e-03  5.6900000000e-04 -3.9045000000e-03 -1.5428000000e-03 -6.8000000000e-04
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4701200000e-01 -5.1108500000e-01 -3.1144300000e-01  1.7357300000e-01 -3.3929700000e-01  8.7805600000e-01  1.1855000000e-01  2.8619880000e+00 -1.2649100000e-01  8.2086500000e-01  3.0900930000e+00 -7.3555100000e-01  6.0585000000e-02  1.9077050000e+00 -1.7356500000e-01
-ENERGY -1.526622768160e+02
-FORCES -2.1693000000e-03 -1.8582000000e-03  2.7618000000e-03  3.8223000000e-03  1.9370000000e-03  2.2200000000e-03 -1.4878000000e-03  8.0270000000e-04 -4.6867000000e-03  1.3893000000e-03 -1.0381400000e-02 -1.6066000000e-03 -2.0467000000e-03 -1.1767000000e-03  1.7496000000e-03  4.9230000000e-04  1.0676600000e-02 -4.3810000000e-04
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1687900000e-01  8.1508000000e-01  4.8807300000e-01  9.4831300000e-01 -8.8996000000e-02 -9.4942000000e-02 -1.5534800000e+00  1.6868750000e+00  1.3256700000e+00 -2.3229360000e+00  1.2810350000e+00  9.2634100000e-01 -1.5384830000e+00  1.3449050000e+00  2.2195730000e+00
-ENERGY -1.526594056973e+02
-FORCES -6.2303000000e-03  9.5494000000e-03  5.6580000000e-03  7.0881000000e-03 -6.8911000000e-03 -3.6429000000e-03 -3.6474000000e-03  2.5756000000e-03  2.4948000000e-03 -1.2595000000e-03 -9.3446000000e-03 -3.0809000000e-03  3.0080000000e-03  2.8178000000e-03  3.2419000000e-03  1.0412000000e-03  1.2930000000e-03 -4.6710000000e-03
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0347600000e-01  4.6147300000e-01 -4.5650400000e-01  2.0654100000e-01  5.5846000000e-01  7.4946400000e-01 -1.8129840000e+00  1.4968330000e+00 -1.4235230000e+00 -1.4093830000e+00  2.3034930000e+00 -1.1031530000e+00 -1.4725430000e+00  1.3947040000e+00 -2.3122870000e+00
-ENERGY -1.526588976767e+02
-FORCES -1.1554200000e-02  7.8708000000e-03 -5.4374000000e-03  9.6690000000e-03 -2.8324000000e-03  4.8731000000e-03 -1.3407000000e-03 -9.7300000000e-05 -3.3199000000e-03  4.8068000000e-03  1.4038000000e-03 -2.1638000000e-03 -3.9610000000e-04 -6.7406000000e-03  1.6630000000e-04 -1.1847000000e-03  3.9580000000e-04  5.8817000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1280300000e-01  7.3110400000e-01  5.3279800000e-01 -3.5154900000e-01 -7.7889000000e-01  4.3124900000e-01 -1.5043180000e+00 -1.8038450000e+00  1.4202800000e+00 -1.5248120000e+00 -1.5184080000e+00  2.3337010000e+00 -2.2214950000e+00 -1.3262110000e+00  1.0034420000e+00
-ENERGY -1.526579480692e+02
-FORCES -6.6218000000e-03 -9.2773000000e-03  1.0396400000e-02 -2.8690000000e-04 -2.3530000000e-03 -1.3215000000e-03  1.4944000000e-03  7.2724000000e-03 -6.3437000000e-03 -1.3054000000e-03  4.9957000000e-03  7.1700000000e-04 -2.0400000000e-05 -1.0900000000e-05 -5.5564000000e-03  6.7402000000e-03 -6.2690000000e-04  2.1082000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9521800000e-01 -3.0568800000e-01  1.4619100000e-01  3.5336700000e-01  1.3698100000e-01  8.7897600000e-01 -2.8775250000e+00  1.4774100000e-01  4.6659000000e-02 -3.3438930000e+00  8.0909100000e-01 -4.6456400000e-01 -3.1396270000e+00 -6.8607800000e-01 -3.4357200000e-01
-ENERGY -1.526584595579e+02
-FORCES -9.2687000000e-03  1.7757000000e-03  3.5745000000e-03  7.6665000000e-03 -5.0320000000e-03 -6.1030000000e-04 -1.4232000000e-03 -3.8490000000e-04 -2.8141000000e-03 -1.3801000000e-03  3.6609000000e-03 -4.8252000000e-03  3.0480000000e-04 -3.9035000000e-03  2.4725000000e-03  4.1007000000e-03  3.8839000000e-03  2.2025000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3147500000e-01  1.9210700000e-01 -1.0807600000e-01  3.6981100000e-01  1.0411800000e-01 -8.7671600000e-01  1.8453520000e+00 -1.6866710000e+00  1.4729040000e+00  1.0073110000e+00 -1.4347840000e+00  1.0849960000e+00  1.7288460000e+00 -2.6037030000e+00  1.7213220000e+00
-ENERGY -1.526605521405e+02
-FORCES -7.2240000000e-04  2.6441000000e-03 -4.0693000000e-03  4.4511000000e-03 -1.0147000000e-03 -6.0500000000e-05 -3.0256000000e-03 -4.8910000000e-04  3.9056000000e-03 -6.4717000000e-03  2.2374000000e-03 -2.7109000000e-03  6.4289000000e-03 -6.7863000000e-03  4.2885000000e-03 -6.6020000000e-04  3.4087000000e-03 -1.3534000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1500000000e-02 -9.5146400000e-01 -9.1077000000e-02  2.2899400000e-01  3.3674900000e-01 -8.6625300000e-01 -1.3954480000e+00 -1.6595460000e+00  3.1160700000e+00 -1.9031110000e+00 -2.3424940000e+00  3.5543540000e+00 -1.6500160000e+00 -1.7246440000e+00  2.1956410000e+00
-ENERGY -1.526536480053e+02
-FORCES  2.4795000000e-03 -1.8391000000e-03 -4.1661000000e-03 -1.7678000000e-03  3.7504000000e-03  6.1340000000e-04 -9.0500000000e-04 -1.4353000000e-03  3.7337000000e-03 -3.5561000000e-03 -1.9193000000e-03 -2.0676000000e-03  2.2288000000e-03  2.8690000000e-03 -1.8398000000e-03  1.5206000000e-03 -1.4257000000e-03  3.7264000000e-03
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8075100000e-01 -9.3801200000e-01  6.0783000000e-02 -1.9234000000e-02  3.0733100000e-01  9.0631600000e-01 -1.3305000000e+00 -1.5269310000e+00  2.9399150000e+00 -1.6529940000e+00 -7.7763500000e-01  2.4391310000e+00 -1.8568230000e+00 -1.5256900000e+00  3.7394240000e+00
-ENERGY -1.526554975222e+02
-FORCES  1.6221000000e-03 -3.8674000000e-03  3.9292000000e-03 -1.1980000000e-04  5.0229000000e-03 -1.0230000000e-03 -2.3881000000e-03 -5.5450000000e-04 -3.8210000000e-03 -4.9568000000e-03  2.1321000000e-03  2.8217000000e-03  3.6337000000e-03 -2.8988000000e-03  1.6502000000e-03  2.2090000000e-03  1.6580000000e-04 -3.5571000000e-03
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4031200000e-01  4.4725000000e-01  4.1004600000e-01  1.2271400000e-01 -9.2241400000e-01  2.2433500000e-01 -1.6731950000e+00  1.7896420000e+00  1.3317770000e+00 -1.1750940000e+00  1.0388800000e+00  1.0085370000e+00 -1.2704490000e+00  2.5462710000e+00  9.0570200000e-01
-ENERGY -1.526589208152e+02
-FORCES  2.3058000000e-03 -1.1741000000e-03  1.7631000000e-03 -6.7735000000e-03 -1.0767000000e-03 -8.6930000000e-04 -4.0730000000e-04  5.3919000000e-03 -5.0120000000e-04  6.8232000000e-03 -7.5073000000e-03 -9.3882000000e-03 -1.9360000000e-03  6.6787000000e-03  7.1413000000e-03 -1.2200000000e-05 -2.3125000000e-03  1.8542000000e-03
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3800400000e-01 -2.3817000000e-02  1.8924400000e-01  4.1958000000e-01 -1.5405100000e-01  8.4643500000e-01 -1.3668230000e+00  1.3754060000e+00  2.6865380000e+00 -5.4505600000e-01  1.7393280000e+00  2.3571600000e+00 -1.2031240000e+00  4.3464900000e-01  2.7529550000e+00
-ENERGY -1.526535977848e+02
-FORCES -3.6515000000e-03 -4.2560000000e-04  3.6005000000e-03  4.9914000000e-03 -1.2592000000e-03 -7.3110000000e-04 -2.2075000000e-03  1.7602000000e-03 -1.9645000000e-03  4.5856000000e-03 -7.4520000000e-04 -7.3000000000e-04 -3.5186000000e-03 -2.7492000000e-03  2.2559000000e-03 -1.9940000000e-04  3.4190000000e-03 -2.4309000000e-03
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7099400000e-01  1.2211300000e-01 -5.5397600000e-01 -3.2890000000e-02 -9.4298400000e-01  1.6103000000e-01  1.3598540000e+00 -1.5315170000e+00  2.6854360000e+00  1.5780320000e+00 -2.2852790000e+00  2.1372820000e+00  4.2135800000e-01 -1.4002370000e+00  2.5504430000e+00
-ENERGY -1.526526805051e+02
-FORCES  5.5489000000e-03 -2.6579000000e-03 -1.1288000000e-03 -3.7947000000e-03 -6.2260000000e-04  1.4406000000e-03 -8.9680000000e-04  2.8215000000e-03  9.3920000000e-04 -3.2969000000e-03 -6.4220000000e-04 -1.9901000000e-03 -1.4800000000e-03  3.7240000000e-03  1.0818000000e-03  3.9196000000e-03 -2.6228000000e-03 -3.4280000000e-04
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3515500000e-01 -7.0205100000e-01 -5.5769900000e-01  9.5039600000e-01 -1.1256700000e-01 -1.7547000000e-02  1.1491570000e+00 -1.5440010000e+00  3.0688300000e+00  4.4487100000e-01 -1.7168580000e+00  2.4440640000e+00  8.5969100000e-01 -1.9637090000e+00  3.8789450000e+00
-ENERGY -1.526560650425e+02
-FORCES  3.5846000000e-03 -1.1217000000e-03 -3.7031000000e-03  1.2882000000e-03  2.3591000000e-03  3.4612000000e-03 -4.9477000000e-03 -1.0090000000e-04 -4.3480000000e-04 -5.0071000000e-03 -1.1956000000e-03  7.1510000000e-04  4.0865000000e-03 -1.5028000000e-03  3.2878000000e-03  9.9540000000e-04  1.5618000000e-03 -3.3261000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8305800000e-01 -7.5207300000e-01  5.6312400000e-01 -9.0193800000e-01 -1.3259600000e-01 -2.9181900000e-01 -1.5465930000e+00  1.0849260000e+00  2.4977550000e+00 -7.5643300000e-01  1.3821820000e+00  2.9488830000e+00 -2.2664880000e+00  1.4829950000e+00  2.9871680000e+00
-ENERGY -1.526544480157e+02
-FORCES -6.2873000000e-03 -2.0505000000e-03  4.1022000000e-03  6.7890000000e-04  2.4310000000e-03 -2.5425000000e-03  4.0224000000e-03 -5.9750000000e-04 -1.2221000000e-03  2.5415000000e-03  3.7120000000e-03  2.9620000000e-03 -3.9173000000e-03 -1.6370000000e-03 -4.5120000000e-04  2.9618000000e-03 -1.8580000000e-03 -2.8485000000e-03
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4834300000e-01  3.6829900000e-01 -6.0020000000e-01  1.6189000000e-01  4.4603700000e-01  8.3130900000e-01  1.4305440000e+00  1.7029030000e+00 -1.7038220000e+00  2.3729570000e+00  1.8704500000e+00 -1.7081510000e+00  1.1819370000e+00  1.7063230000e+00 -2.6281670000e+00
-ENERGY -1.526604481277e+02
-FORCES  6.8327000000e-03  9.5838000000e-03 -5.1191000000e-03 -3.8368000000e-03 -7.0260000000e-03  4.9811000000e-03 -1.1680000000e-04 -1.5498000000e-03 -2.0205000000e-03 -3.1610000000e-04 -2.8100000000e-05 -2.4603000000e-03 -5.0145000000e-03 -1.0045000000e-03  2.1300000000e-05  2.4515000000e-03  2.4600000000e-05  4.5975000000e-03
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9679400000e-01  8.3833200000e-01 -4.1797600000e-01  3.6755500000e-01  7.8611000000e-02  8.8031600000e-01 -2.5684230000e+00  1.9807700000e-01  3.5719000000e-02 -3.1128990000e+00 -3.4020900000e-01 -5.3875900000e-01 -1.6707640000e+00 -6.0934000000e-02 -1.7249800000e-01
-ENERGY -1.526584334974e+02
-FORCES -1.1188600000e-02  3.9401000000e-03  4.6379000000e-03 -2.2333000000e-03 -4.7969000000e-03  2.4732000000e-03 -3.9420000000e-04  7.1460000000e-04 -5.1039000000e-03  1.8723800000e-02 -3.1399000000e-03  4.3150000000e-04  4.7344000000e-03  7.7670000000e-04  8.4040000000e-04 -9.6422000000e-03  2.5055000000e-03 -3.2791000000e-03
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5752700000e-01 -5.5039400000e-01  6.9675800000e-01  9.4732500000e-01 -1.2408500000e-01  5.8389000000e-02  2.8566160000e+00 -8.0917000000e-02  3.5851400000e-01  3.3032980000e+00 -8.4436500000e-01  7.2437400000e-01  3.1138730000e+00  6.4368900000e-01  9.2859900000e-01
-ENERGY -1.526613263566e+02
-FORCES  1.0144800000e-02 -2.3751000000e-03  2.7407000000e-03  1.6165000000e-03  1.5017000000e-03 -1.8197000000e-03 -1.0642000000e-02  4.3460000000e-04 -8.9600000000e-04  2.2602000000e-03  8.4790000000e-04  3.3036000000e-03 -2.5092000000e-03  4.1311000000e-03 -9.7420000000e-04 -8.7030000000e-04 -4.5402000000e-03 -2.3544000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3540100000e-01 -5.6385700000e-01 -6.3931400000e-01 -5.6187400000e-01 -3.6402000000e-02  7.7408300000e-01  2.8565690000e+00  4.5343000000e-02  1.4386200000e-01  3.2907910000e+00 -5.7695200000e-01 -4.3960400000e-01  1.9241690000e+00 -1.5134700000e-01  5.3447000000e-02
-ENERGY -1.526607550829e+02
-FORCES -3.1498000000e-03 -7.4740000000e-04  1.7672000000e-03  2.7528000000e-03  2.2460000000e-03  3.5663000000e-03  1.7851000000e-03 -3.1610000000e-04 -4.6280000000e-03 -9.5367000000e-03 -1.3820000000e-03 -1.7162000000e-03 -2.6512000000e-03  1.6167000000e-03  1.3924000000e-03  1.0799800000e-02 -1.4172000000e-03 -3.8170000000e-04
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3557300000e-01 -2.7702000000e-01 -3.7591200000e-01  1.3901200000e-01  9.1450100000e-01  2.4616200000e-01 -1.6984730000e+00 -1.6443200000e+00 -1.1318320000e+00 -1.3767610000e+00 -2.5225220000e+00 -9.2812700000e-01 -1.1603280000e+00 -1.0613810000e+00 -5.9628200000e-01
-ENERGY -1.526581085894e+02
-FORCES -6.0737000000e-03 -3.5772000000e-03 -5.9100000000e-03 -4.4299000000e-03  1.4420000000e-03  2.6673000000e-03  1.7732000000e-03 -4.6161000000e-03 -1.7680000000e-03  9.5202000000e-03  1.0392800000e-02  8.9404000000e-03  1.1366000000e-03  3.5341000000e-03 -3.0590000000e-04 -1.9262000000e-03 -7.1756000000e-03 -3.6238000000e-03
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7371000000e-02 -4.8836600000e-01  8.2306100000e-01 -6.7278600000e-01 -4.1517800000e-01 -5.3964700000e-01  1.6712890000e+00 -1.4508050000e+00 -1.2201500000e+00  1.2896890000e+00 -7.2503900000e-01 -7.2631100000e-01  1.2822630000e+00 -2.2351420000e+00 -8.3323000000e-01
-ENERGY -1.526519541938e+02
-FORCES  7.4959000000e-03 -1.3040800000e-02 -8.8666000000e-03  2.2067000000e-03  1.4110000000e-04 -6.7807000000e-03  4.9401000000e-03  6.2670000000e-04  3.8456000000e-03 -1.7195200000e-02  1.5593700000e-02  1.4721900000e-02  3.4607000000e-03 -5.9730000000e-03 -2.6505000000e-03 -9.0820000000e-04  2.6523000000e-03 -2.6970000000e-04
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3106100000e-01  7.3469700000e-01 -5.1657600000e-01 -4.2615200000e-01 -7.6975100000e-01 -3.7697400000e-01  2.9210690000e+00  2.5163000000e-01 -1.7608300000e-01  3.3137920000e+00  1.0710570000e+00 -4.7698100000e-01  2.0512620000e+00  5.0239700000e-01  1.3501500000e-01
-ENERGY -1.526585230791e+02
-FORCES -1.8100000000e-03 -3.7342000000e-03 -5.0427000000e-03  3.0827000000e-03 -2.7829000000e-03  2.6455000000e-03  1.0490000000e-04  4.2084000000e-03  1.5113000000e-03 -7.2250000000e-03  1.2102000000e-03  1.1119000000e-03 -2.8538000000e-03 -2.5634000000e-03  7.2020000000e-04  8.7013000000e-03  3.6619000000e-03 -9.4620000000e-04
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4813700000e-01 -7.6013400000e-01  4.6607700000e-01 -9.1725800000e-01  4.7346000000e-02  2.6949500000e-01  1.5653990000e+00  1.8572090000e+00  1.1038250000e+00  1.0064060000e+00  1.2903250000e+00  5.7241000000e-01  1.5717420000e+00  1.4459390000e+00  1.9681450000e+00
-ENERGY -1.526579738927e+02
-FORCES  2.2198000000e-03  2.9762000000e-03  5.6965000000e-03 -1.9658000000e-03  5.6261000000e-03 -8.8010000000e-04  5.5584000000e-03 -8.7110000000e-04 -3.6110000000e-04 -1.1687800000e-02 -1.3196800000e-02 -6.3776000000e-03  6.1809000000e-03  5.4918000000e-03  4.3259000000e-03 -3.0550000000e-04 -2.6100000000e-05 -2.4036000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6382000000e-01 -5.2837800000e-01 -4.4316200000e-01 -7.2180000000e-02 -2.4767700000e-01  9.2178000000e-01  1.7373210000e+00 -1.5870470000e+00 -1.5405230000e+00  1.3991670000e+00 -8.5880300000e-01 -1.0194240000e+00  2.6814240000e+00 -1.4346910000e+00 -1.5816200000e+00
-ENERGY -1.526615166772e+02
-FORCES -3.2674000000e-03 -4.9443000000e-03  1.6552000000e-03  4.8035000000e-03  2.7354000000e-03  2.5275000000e-03  3.3200000000e-05  1.0818000000e-03 -4.5248000000e-03 -3.0093000000e-03  7.6193000000e-03  5.8980000000e-03  4.7514000000e-03 -6.9914000000e-03 -6.9677000000e-03 -3.3115000000e-03  4.9920000000e-04  1.4119000000e-03
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2585000000e-01  1.6240600000e-01 -7.0581000000e-01 -1.4772000000e-01 -9.4545100000e-01 -2.3068000000e-02 -1.7308000000e-02 -2.7146040000e+00  2.3630000000e-02  4.5796500000e-01 -3.1970130000e+00 -6.5285300000e-01  2.1117000000e-02 -3.2811430000e+00  7.9420600000e-01
-ENERGY -1.526594579559e+02
-FORCES  1.6059000000e-03 -1.4869600000e-02 -1.2222000000e-03 -1.5764000000e-03 -1.1442000000e-03  1.5125000000e-03 -8.9880000000e-04  8.4933000000e-03 -8.0870000000e-04  2.3013000000e-03  4.2492000000e-03  1.4435000000e-03 -1.8560000000e-03  1.9732000000e-03  3.9228000000e-03  4.2400000000e-04  1.2981000000e-03 -4.8479000000e-03
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5392700000e-01 -4.0502000000e-01 -4.2870000000e-01  7.5976100000e-01 -3.8201000000e-01 -4.3939000000e-01  1.7723930000e+00 -1.7658530000e+00 -1.2913190000e+00  2.6883720000e+00 -2.0411920000e+00 -1.3287610000e+00  1.4576240000e+00 -1.8563970000e+00 -2.1907380000e+00
-ENERGY -1.526595447571e+02
-FORCES  6.0618000000e-03 -9.2107000000e-03 -5.3326000000e-03  1.9380000000e-03  1.4970000000e-03  4.8160000000e-04 -5.7950000000e-03  6.3742000000e-03  2.0841000000e-03  1.3340000000e-03 -4.1530000000e-04 -1.2566000000e-03 -4.7315000000e-03  7.9660000000e-04 -9.6810000000e-04  1.1927000000e-03  9.5810000000e-04  4.9916000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8645700000e-01 -1.0847400000e-01  6.5821200000e-01  2.1354500000e-01 -6.4163200000e-01 -6.7745000000e-01 -1.5136650000e+00 -1.0199500000e-01  2.1758630000e+00 -1.0387020000e+00 -7.6002200000e-01  2.6834470000e+00 -1.2304320000e+00 -2.4506600000e-01  1.2727890000e+00
-ENERGY -1.526569056352e+02
-FORCES  7.9140000000e-04 -1.7150000000e-04  5.5148000000e-03 -5.6523000000e-03 -2.1254000000e-03 -2.8586000000e-03 -1.1466000000e-03  2.6845000000e-03  5.1485000000e-03  7.2585000000e-03 -1.7585000000e-03 -1.3954700000e-02  6.3410000000e-04  2.6080000000e-03 -2.8272000000e-03 -1.8852000000e-03 -1.2372000000e-03  8.9772000000e-03
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7892600000e-01 -5.2347600000e-01 -4.2575100000e-01  7.7015000000e-01 -1.0579900000e-01 -5.5848600000e-01  1.2788790000e+00  1.7165990000e+00  2.7653470000e+00  1.3818350000e+00  2.5628550000e+00  2.3300500000e+00  3.3185800000e-01  1.5971890000e+00  2.8369360000e+00
-ENERGY -1.526547388336e+02
-FORCES  2.0083000000e-03 -3.0322000000e-03 -3.9983000000e-03  2.6962000000e-03  2.3971000000e-03  2.2025000000e-03 -3.7594000000e-03  4.2780000000e-04  1.4667000000e-03 -4.9228000000e-03  1.4046000000e-03 -3.4518000000e-03  1.9400000000e-04 -2.8813000000e-03  1.9514000000e-03  3.7837000000e-03  1.6840000000e-03  1.8296000000e-03
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1775500000e-01  7.6914300000e-01 -4.7295200000e-01  4.9626300000e-01 -3.7900000000e-04  8.1850800000e-01 -2.7159540000e+00 -2.0794600000e-01 -2.5023700000e-01 -2.9759840000e+00  7.0750600000e-01 -3.5301600000e-01 -1.7589790000e+00 -1.8741600000e-01 -2.5346400000e-01
-ENERGY -1.526596197789e+02
-FORCES -2.9094000000e-03  1.2087000000e-03  2.8802000000e-03 -2.7538000000e-03 -3.4206000000e-03  3.1757000000e-03 -9.9650000000e-04  1.2719000000e-03 -4.8832000000e-03  1.4011600000e-02  2.7668000000e-03  2.0362000000e-03  1.7202000000e-03 -2.1716000000e-03  2.4400000000e-05 -9.0722000000e-03  3.4480000000e-04 -3.2332000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2593300000e-01 -4.0696700000e-01  8.5717600000e-01 -7.5692900000e-01 -2.8248700000e-01 -5.1331400000e-01 -7.9120000000e-03  2.5588130000e+00  9.2456000000e-02  7.1972100000e-01  2.9021110000e+00 -4.2612600000e-01  1.5148300000e-01  1.6159320000e+00  1.3489400000e-01
-ENERGY -1.526579616379e+02
-FORCES -4.3244000000e-03  1.3299100000e-02 -4.2790000000e-04 -1.9010000000e-04  3.2740000000e-03 -4.9191000000e-03  4.0591000000e-03 -5.9200000000e-05  3.7861000000e-03  1.5534000000e-03 -2.2258500000e-02 -1.3886000000e-03 -1.7294000000e-03 -3.1080000000e-03  8.9490000000e-04  6.3150000000e-04  8.8527000000e-03  2.0546000000e-03
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9383200000e-01  3.1525700000e-01 -4.3205900000e-01 -7.0570100000e-01  5.1833200000e-01 -3.8671700000e-01  1.2984000000e+00 -1.5090130000e+00 -3.2176130000e+00  1.8324030000e+00 -1.4452840000e+00 -2.4257730000e+00  1.5729090000e+00 -7.6437700000e-01 -3.7527710000e+00
-ENERGY -1.526532521801e+02
-FORCES -9.1280000000e-04  3.1368000000e-03 -4.5125000000e-03 -1.9967000000e-03 -1.7913000000e-03  1.7914000000e-03  2.9646000000e-03 -1.5545000000e-03  2.2619000000e-03  3.2043000000e-03  1.8220000000e-03  1.2066000000e-03 -1.7752000000e-03  1.0354000000e-03 -3.6024000000e-03 -1.4842000000e-03 -2.6484000000e-03  2.8550000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4920000000e-01  9.2319200000e-01  4.2990000000e-02  2.4441100000e-01 -3.5460900000e-01  8.5483800000e-01  1.7873770000e+00 -1.6794490000e+00 -1.0968850000e+00  1.5546110000e+00 -1.0490190000e+00 -4.1526200000e-01  2.7438040000e+00 -1.6569710000e+00 -1.1280800000e+00
-ENERGY -1.526523705175e+02
-FORCES  6.5250000000e-04  3.8380000000e-04 -1.7820000000e-04  2.2600000000e-04 -5.7668000000e-03 -2.8580000000e-04  4.3968000000e-03  1.7880000000e-04 -8.3115000000e-03 -6.7623000000e-03  8.2786000000e-03  3.4493000000e-03  6.0510000000e-03 -5.2587000000e-03  4.0846000000e-03 -4.5640000000e-03  2.1843000000e-03  1.2417000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2156400000e-01  7.9386700000e-01 -4.2732100000e-01  9.5325400000e-01  8.2945000000e-02 -2.5670000000e-02 -1.8319900000e-01 -2.9048360000e+00  1.4691370000e+00 -1.6461000000e-02 -3.7255840000e+00  1.9326040000e+00  1.7681000000e-01 -2.2280920000e+00  2.0424100000e+00
-ENERGY -1.526535052163e+02
-FORCES  2.2142000000e-03  3.2099000000e-03 -3.3627000000e-03  1.3863000000e-03 -3.5302000000e-03  1.7534000000e-03 -4.0268000000e-03 -1.3850000000e-04  1.1988000000e-03  1.4279000000e-03  1.2704000000e-03  4.0540000000e-03 -7.2880000000e-04  3.5473000000e-03 -2.3367000000e-03 -2.7280000000e-04 -4.3589000000e-03 -1.3069000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2733800000e-01 -2.0411300000e-01 -8.3183600000e-01 -9.2373000000e-01 -2.0200500000e-01 -1.4882400000e-01  1.9570550000e+00  1.8185440000e+00  1.1387050000e+00  1.0602350000e+00  1.6267340000e+00  8.6456300000e-01  2.5046820000e+00  1.3076340000e+00  5.4262800000e-01
-ENERGY -1.526582146605e+02
-FORCES -1.2847000000e-03 -2.4053000000e-03 -3.2427000000e-03 -1.4180000000e-03  1.6829000000e-03  4.3513000000e-03  4.6592000000e-03  9.6690000000e-04  3.5980000000e-04 -6.2237000000e-03 -7.9612000000e-03 -4.5916000000e-03  4.9036000000e-03  5.8143000000e-03  2.1253000000e-03 -6.3630000000e-04  1.9024000000e-03  9.9790000000e-04
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1961300000e-01 -5.2373000000e-02  9.0074200000e-01 -3.3143800000e-01 -7.9433600000e-01 -4.1882100000e-01 -1.7450670000e+00 -1.5845770000e+00 -1.2923780000e+00 -1.5773750000e+00 -2.4618390000e+00 -1.6366510000e+00 -1.7852080000e+00 -1.0258060000e+00 -2.0685190000e+00
-ENERGY -1.526591131392e+02
-FORCES -1.1598300000e-02 -1.0504700000e-02 -3.8144000000e-03  1.0665000000e-03 -2.1900000000e-05 -2.3830000000e-03  7.6714000000e-03  4.5750000000e-03  1.8589000000e-03  7.6710000000e-04  4.8888000000e-03 -2.0109000000e-03  8.9530000000e-04  5.4915000000e-03  2.3698000000e-03  1.1980000000e-03 -4.4287000000e-03  3.9796000000e-03
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6313600000e-01  2.8967200000e-01  6.2655600000e-01  8.3221000000e-02 -9.5347400000e-01 -1.3898000000e-02 -1.3116200000e+00 -1.2826020000e+00  3.0591050000e+00 -1.8297310000e+00 -1.9864840000e+00  3.4494160000e+00 -1.6044680000e+00 -1.2456010000e+00  2.1485540000e+00
-ENERGY -1.526564485802e+02
-FORCES  5.2414000000e-03 -1.7019000000e-03  2.5989000000e-03 -2.6771000000e-03 -1.0473000000e-03 -3.6394000000e-03 -2.0968000000e-03  3.8406000000e-03  3.4220000000e-04 -4.2617000000e-03 -1.4141000000e-03 -2.0782000000e-03  2.2018000000e-03  2.7928000000e-03 -1.9756000000e-03  1.5923000000e-03 -2.4701000000e-03  4.7520000000e-03
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5467900000e-01  7.1977700000e-01 -5.2187700000e-01 -9.4578800000e-01  1.4736300000e-01  6.3800000000e-04 -1.2022960000e+00 -1.7437380000e+00 -2.9517910000e+00 -5.3809300000e-01 -2.1464980000e+00 -3.5111210000e+00 -1.1176540000e+00 -8.0467100000e-01 -3.1167810000e+00
-ENERGY -1.526529064115e+02
-FORCES -3.1021000000e-03  2.0891000000e-03 -1.9292000000e-03 -1.5838000000e-03 -3.0545000000e-03  1.3638000000e-03  4.1605000000e-03  5.2830000000e-04  5.5100000000e-05  4.4811000000e-03  1.8090000000e-03 -1.8542000000e-03 -2.9296000000e-03  1.7220000000e-03  1.8403000000e-03 -1.0260000000e-03 -3.0940000000e-03  5.2410000000e-04
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0147700000e-01  8.4025300000e-01 -3.4542400000e-01 -4.3317600000e-01 -6.5420400000e-01 -5.4827800000e-01 -1.5945910000e+00 -1.8106780000e+00 -1.4557070000e+00 -1.6497870000e+00 -2.7637230000e+00 -1.5256500000e+00 -1.6071400000e+00 -1.5024190000e+00 -2.3618260000e+00
-ENERGY -1.526601512282e+02
-FORCES -8.0377000000e-03 -6.2493000000e-03 -5.7274000000e-03  7.1770000000e-04 -2.8902000000e-03 -1.1900000000e-05  6.0303000000e-03  7.7224000000e-03  2.4876000000e-03  7.5240000000e-04 -2.5048000000e-03 -9.8080000000e-04 -4.1510000000e-04  4.8252000000e-03 -1.1127000000e-03  9.5240000000e-04 -9.0330000000e-04  5.3452000000e-03
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3320800000e-01 -5.6509000000e-02  4.6776400000e-01 -9.1331000000e-02  9.2795600000e-01 -2.1630500000e-01 -2.0495630000e+00 -1.5738820000e+00  1.4935210000e+00 -1.8347320000e+00 -2.4818660000e+00  1.2798720000e+00 -1.4162600000e+00 -1.0544860000e+00  9.9815500000e-01
-ENERGY -1.526618462784e+02
-FORCES  3.0920000000e-03  4.6515000000e-03  3.3790000000e-04 -4.3560000000e-03  3.0770000000e-04 -2.3070000000e-03  1.5100000000e-03 -4.3329000000e-03  1.2182000000e-03  6.3282000000e-03  2.3734000000e-03 -6.2402000000e-03 -1.6350000000e-04  2.8264000000e-03  8.9870000000e-04 -6.4107000000e-03 -5.8260000000e-03  6.0926000000e-03
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7173800000e-01 -6.6641900000e-01  3.8109600000e-01  2.8432300000e-01  8.1976900000e-01  4.0419100000e-01 -1.1988450000e+00  3.3741370000e+00  4.0648000000e-01 -1.9180210000e+00  3.3505200000e+00 -2.2475700000e-01 -1.3918790000e+00  2.6625860000e+00  1.0169420000e+00
-ENERGY -1.526561317103e+02
-FORCES  4.7259000000e-03  9.3550000000e-04  1.9542000000e-03 -2.4019000000e-03  2.9361000000e-03 -1.4715000000e-03 -2.3922000000e-03 -5.0283000000e-03  1.0390000000e-04 -5.7349000000e-03 -2.6005000000e-03 -1.1468000000e-03  2.7997000000e-03  8.9400000000e-04  2.9853000000e-03  3.0034000000e-03  2.8631000000e-03 -2.4252000000e-03
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2371100000e-01  5.6586400000e-01 -5.6723600000e-01  1.3460700000e-01 -8.8088600000e-01 -3.4950300000e-01  3.6450000000e-02 -2.5981070000e+00 -1.6010600000e-01  7.5563500000e-01 -2.9944570000e+00 -6.5195100000e-01  1.0615100000e-01 -2.9785760000e+00  7.1546100000e-01
-ENERGY -1.526573727014e+02
-FORCES -3.6370000000e-04 -1.6733400000e-02 -1.3231000000e-03 -6.5360000000e-04 -4.9821000000e-03  6.6410000000e-04  2.5687000000e-03  9.6250000000e-03 -2.7301000000e-03  1.1467000000e-03  7.6478000000e-03  6.2621000000e-03 -3.0939000000e-03  4.6744000000e-03  2.5934000000e-03  3.9590000000e-04 -2.3170000000e-04 -5.4665000000e-03
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0486600000e-01  5.5723600000e-01  4.8975200000e-01 -1.5688100000e-01 -8.8105300000e-01  3.3965500000e-01 -1.5828380000e+00 -2.0550290000e+00  1.6658210000e+00 -1.4165850000e+00 -2.9793540000e+00  1.8507930000e+00 -1.5324820000e+00 -1.6264670000e+00  2.5202390000e+00
-ENERGY -1.526591547794e+02
-FORCES -6.7437000000e-03 -4.9160000000e-03  4.8680000000e-03  2.6511000000e-03 -3.4410000000e-04 -1.1177000000e-03  5.3181000000e-03  4.9621000000e-03 -3.5889000000e-03 -1.0523000000e-03 -2.9039000000e-03  5.3112000000e-03 -3.1590000000e-04  4.6880000000e-03 -8.0180000000e-04  1.4270000000e-04 -1.4862000000e-03 -4.6708000000e-03
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8048700000e-01 -7.3720900000e-01  5.4229300000e-01  5.7186800000e-01  7.2163100000e-01  2.6162300000e-01  1.8097470000e+00  1.5699610000e+00  1.6473620000e+00  2.4714840000e+00  1.2566820000e+00  1.0307660000e+00  1.7777870000e+00  2.5159710000e+00  1.5049700000e+00
-ENERGY -1.526575015193e+02
-FORCES  5.7034000000e-03  4.0322000000e-03  1.0218000000e-02 -6.2500000000e-04  1.1958000000e-03 -2.9816000000e-03 -7.8320000000e-04 -2.9818000000e-03 -8.0146000000e-03  3.3348000000e-03  2.8735000000e-03 -1.3000000000e-06 -7.2615000000e-03  5.0290000000e-04  1.3603000000e-03 -3.6840000000e-04 -5.6226000000e-03 -5.8080000000e-04
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0325500000e-01 -3.9692000000e-01 -6.2830700000e-01 -8.3242000000e-02  9.4179300000e-01 -1.4942500000e-01 -1.4099010000e+00  1.1831280000e+00  2.9185080000e+00 -1.8912880000e+00  1.7989560000e+00  2.3660090000e+00 -1.8643860000e+00  1.2102410000e+00  3.7604940000e+00
-ENERGY -1.526518978207e+02
-FORCES -2.8803000000e-03  2.2753000000e-03 -1.6229000000e-03  2.3857000000e-03  1.7008000000e-03  2.5414000000e-03 -6.3100000000e-05 -3.4938000000e-03 -6.0600000000e-05 -3.8340000000e-03  2.0735000000e-03  1.1326000000e-03  2.3642000000e-03 -2.1392000000e-03  1.7183000000e-03  2.0275000000e-03 -4.1660000000e-04 -3.7087000000e-03
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4492000000e-01  1.5187400000e-01  1.7087000000e-02 -2.8237000000e-01  1.4265200000e-01  9.0341000000e-01 -2.0056770000e+00  1.5437790000e+00 -1.2114240000e+00 -1.2460050000e+00  1.2552010000e+00 -7.0560500000e-01 -1.9751660000e+00  1.0185290000e+00 -2.0110570000e+00
-ENERGY -1.526598007716e+02
-FORCES  1.3252000000e-03  8.7400000000e-05  2.2800000000e-03 -5.2080000000e-03 -6.2250000000e-04  2.4240000000e-04  1.1735000000e-03  1.6372000000e-03 -6.4139000000e-03  1.0262500000e-02 -9.5321000000e-03  1.6248000000e-03 -6.6845000000e-03  6.2067000000e-03  9.5740000000e-04 -8.6870000000e-04  2.2232000000e-03  1.3094000000e-03
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6400900000e-01 -5.9755000000e-02 -4.0761500000e-01  7.7640000000e-02 -5.1433400000e-01  8.0353200000e-01  2.9640350000e+00 -8.7181100000e-01  4.7763100000e-01  3.7046410000e+00 -1.1456190000e+00 -6.3446000000e-02  3.0624790000e+00  7.7018000000e-02  5.5678200000e-01
-ENERGY -1.526582082518e+02
-FORCES  6.7407000000e-03 -6.0223000000e-03  2.1109000000e-03 -4.1889000000e-03  4.5747000000e-03 -2.4390000000e-04 -2.3689000000e-03  3.0045000000e-03 -1.9964000000e-03  5.7267000000e-03  1.5233000000e-03 -1.3860000000e-04 -3.6347000000e-03  1.8653000000e-03  2.2732000000e-03 -2.2749000000e-03 -4.9454000000e-03 -2.0053000000e-03
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7795100000e-01 -6.6866900000e-01 -3.6754100000e-01  3.1408700000e-01  8.2203200000e-01 -3.7662300000e-01  2.2195300000e-01  3.2369070000e+00  1.5775140000e+00 -5.7612000000e-02  4.1354900000e+00  1.7525090000e+00 -1.4277300000e-01  2.7269360000e+00  2.3007960000e+00
-ENERGY -1.526569330733e+02
-FORCES  3.7989000000e-03  1.9847000000e-03 -2.9849000000e-03 -2.2378000000e-03  2.6227000000e-03  1.4177000000e-03 -1.3086000000e-03 -5.5443000000e-03  2.1270000000e-04 -3.0396000000e-03  1.2570000000e-03  4.5726000000e-03  1.1370000000e-03 -3.7051000000e-03 -6.0380000000e-04  1.6502000000e-03  3.3851000000e-03 -2.6143000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3505900000e-01 -8.9653600000e-01  1.3781000000e-02 -7.1112700000e-01  5.2758100000e-01  3.6357700000e-01 -1.9062920000e+00  1.5229450000e+00  1.3499160000e+00 -1.7729370000e+00  2.2825720000e+00  7.8298200000e-01 -2.8543600000e+00  1.4800830000e+00  1.4746680000e+00
-ENERGY -1.526593654153e+02
-FORCES -1.0365600000e-02  2.6598000000e-03  7.7286000000e-03  7.2910000000e-04  2.4085000000e-03 -1.5160000000e-04  6.8535000000e-03  2.3220000000e-04 -7.1799000000e-03 -2.0863000000e-03  5.1800000000e-04 -1.4317000000e-03  1.6200000000e-04 -6.9604000000e-03  1.6843000000e-03  4.7074000000e-03  1.1418000000e-03 -6.4970000000e-04
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7285900000e-01 -2.0521800000e-01 -5.2612400000e-01 -6.9890000000e-02  9.5388400000e-01 -3.8115000000e-02 -1.1496300000e-01  2.7579470000e+00 -2.9476900000e-01  5.9233800000e-01  3.2700780000e+00 -6.8678900000e-01 -9.1652000000e-01  3.1843890000e+00 -5.9789400000e-01
-ENERGY -1.526605925893e+02
-FORCES  1.6088000000e-03  1.3059300000e-02 -2.8628000000e-03 -1.7739000000e-03  9.7430000000e-04  1.3525000000e-03 -4.4200000000e-04 -9.3240000000e-03  1.4295000000e-03 -6.0100000000e-05 -1.4541000000e-03 -2.2221000000e-03 -4.1332000000e-03 -1.9942000000e-03  1.2240000000e-03  4.8004000000e-03 -1.2613000000e-03  1.0789000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7468700000e-01 -4.1204100000e-01 -3.8251100000e-01 -2.1854900000e-01 -5.5106100000e-01  7.5153200000e-01  5.2534000000e-02  2.6593150000e+00 -1.8969000000e-01  1.5695900000e-01  1.7139500000e+00 -8.1930000000e-02  5.1041700000e-01  3.0384040000e+00  5.6055400000e-01
-ENERGY -1.526592097517e+02
-FORCES -1.7510000000e-04  4.4000000000e-03  1.7042000000e-03 -3.9039000000e-03  3.1162000000e-03  3.2338000000e-03  2.4148000000e-03  1.7107000000e-03 -4.2935000000e-03 -2.6930000000e-04 -1.5612400000e-02  3.2380000000e-03  3.1240000000e-03  8.9912000000e-03 -2.2728000000e-03 -1.1905000000e-03 -2.6057000000e-03 -1.6097000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1564700000e-01 -7.1935100000e-01 -5.4693100000e-01 -9.4516200000e-01  1.8775000000e-02 -1.5016000000e-01 -2.7700550000e+00  5.3259000000e-02  3.4377000000e-02 -3.0892660000e+00  9.3751500000e-01 -1.4570100000e-01 -3.3758710000e+00 -5.2069600000e-01 -4.3444500000e-01
-ENERGY -1.526603946471e+02
-FORCES -1.2547300000e-02 -2.2668000000e-03 -8.5720000000e-04 -2.0470000000e-03  1.7807000000e-03  1.3775000000e-03  1.0310200000e-02  1.7736000000e-03 -1.4276000000e-03 -6.3460000000e-04  4.8740000000e-04 -1.2760000000e-03  2.0185000000e-03 -5.2812000000e-03  1.6830000000e-04  2.9002000000e-03  3.5063000000e-03  2.0151000000e-03
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2053000000e-01 -5.8361000000e-01 -6.3149500000e-01 -4.4215200000e-01 -1.8445900000e-01  8.2867900000e-01 -1.6907100000e+00  1.9226640000e+00 -1.4001400000e+00 -1.6612690000e+00  2.8786870000e+00 -1.3629270000e+00 -1.3171770000e+00  1.6384070000e+00 -5.6593200000e-01
-ENERGY -1.526585538651e+02
-FORCES -1.4804000000e-03 -5.8652000000e-03 -2.5067000000e-03  1.8575000000e-03  2.7730000000e-03  4.5609000000e-03  6.0750000000e-04  3.5772000000e-03 -4.8243000000e-03  6.0129000000e-03 -8.9350000000e-04  4.7746000000e-03  4.7280000000e-04 -3.6666000000e-03  8.3150000000e-04 -7.4704000000e-03  4.0751000000e-03 -2.8361000000e-03
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1439000000e-01 -4.4762600000e-01  8.1847400000e-01 -9.5639600000e-01  3.8110000000e-02 -9.3040000000e-03  4.1732400000e-01  2.7496030000e+00 -1.4381730000e+00  5.8878000000e-02  3.3924550000e+00 -2.0501280000e+00  7.1495000000e-02  1.9103210000e+00 -1.7418840000e+00
-ENERGY -1.526550411122e+02
-FORCES -1.6272000000e-03 -8.4520000000e-04  5.6466000000e-03 -1.4783000000e-03  1.4061000000e-03 -3.2445000000e-03  4.1810000000e-03  3.5200000000e-05 -1.5852000000e-03 -1.4658000000e-03 -3.4201000000e-03 -2.5044000000e-03  1.0415000000e-03 -2.9768000000e-03  2.9276000000e-03 -6.5130000000e-04  5.8009000000e-03 -1.2401000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9015900000e-01  7.5440000000e-01 -4.4146200000e-01  4.1947600000e-01 -1.8071000000e-02  8.6020100000e-01 -1.4157210000e+00  1.2707400000e+00  2.6949060000e+00 -6.1576000000e-01  1.6225700000e+00  2.3043810000e+00 -2.1251230000e+00  1.7053680000e+00  2.2215350000e+00
-ENERGY -1.526530208883e+02
-FORCES  2.7241000000e-03  7.9230000000e-04  2.4640000000e-03 -2.4653000000e-03 -2.3882000000e-03  2.9963000000e-03 -7.7800000000e-04  2.2351000000e-03 -4.0148000000e-03 -1.1587000000e-03  2.4907000000e-03 -6.5425000000e-03 -9.4840000000e-04 -2.3245000000e-03  2.0073000000e-03  2.6263000000e-03 -8.0540000000e-04  3.0897000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7715000000e-02 -8.1745100000e-01  4.9464600000e-01  8.3872000000e-02  6.7973000000e-01  6.6870300000e-01 -1.5282220000e+00  7.3994000000e-02 -2.2981920000e+00 -2.4536690000e+00 -4.3101000000e-02 -2.0835560000e+00 -1.0867960000e+00  1.0295800000e-01 -1.4493480000e+00
-ENERGY -1.526608272202e+02
-FORCES -1.0189000000e-03 -3.8480000000e-04  5.5540000000e-04 -3.0640000000e-04  4.9690000000e-03 -1.7500000000e-03 -6.6110000000e-04 -4.3948000000e-03 -2.5757000000e-03  5.4072000000e-03  1.0620000000e-04  1.1371500000e-02  3.1643000000e-03  8.5300000000e-05  6.1180000000e-04 -6.5852000000e-03 -3.8080000000e-04 -8.2130000000e-03
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3998100000e-01 -3.7077300000e-01  2.7053800000e-01  1.2893700000e-01  9.4722300000e-01  4.8733000000e-02 -1.5909530000e+00 -1.9115680000e+00  1.2676490000e+00 -1.2336250000e+00 -1.1404800000e+00  8.2722600000e-01 -2.5286430000e+00 -1.7335090000e+00  1.3402000000e+00
-ENERGY -1.526614667006e+02
-FORCES  2.6551000000e-03  1.1670000000e-04  2.5645000000e-03 -4.6322000000e-03  2.9075000000e-03 -1.1970000000e-03  3.0270000000e-04 -4.5932000000e-03 -2.6010000000e-04  3.1922000000e-03  8.8718000000e-03 -5.5872000000e-03 -4.5935000000e-03 -8.0251000000e-03  5.1025000000e-03  3.0757000000e-03  7.2230000000e-04 -6.2270000000e-04
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9326500000e-01  8.7324200000e-01  3.4107000000e-01 -9.5599400000e-01 -4.3711000000e-02 -1.9892000000e-02  1.8424290000e+00 -1.6556410000e+00  1.1334520000e+00  2.5909500000e+00 -1.1788940000e+00  7.7476000000e-01  1.0828960000e+00 -1.2798690000e+00  6.8832600000e-01
-ENERGY -1.526598627634e+02
-FORCES  1.9131000000e-03  8.1300000000e-05  4.6284000000e-03 -1.6100000000e-03 -4.0784000000e-03 -2.4316000000e-03  4.9338000000e-03  9.2110000000e-04  7.4010000000e-04 -8.6358000000e-03  9.4348000000e-03 -8.2592000000e-03 -1.9549000000e-03 -4.6320000000e-04  1.5707000000e-03  5.3539000000e-03 -5.8957000000e-03  3.7516000000e-03
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6811100000e-01 -1.0334800000e-01  6.7762700000e-01 -2.6056000000e-01  7.8876000000e-01 -4.7560300000e-01 -1.7476210000e+00 -2.5410000000e-03  2.1679510000e+00 -1.3436230000e+00  7.0828000000e-01  2.6656970000e+00 -2.6888470000e+00  1.4827100000e-01  2.2550150000e+00
-ENERGY -1.526606687361e+02
-FORCES -1.0086000000e-02  8.3730000000e-04  7.6822000000e-03  7.7365000000e-03  1.3089000000e-03 -6.1977000000e-03  5.4330000000e-04 -1.8837000000e-03  1.9682000000e-03 -2.4990000000e-04  2.5156000000e-03 -8.3100000000e-05 -2.9076000000e-03 -3.2589000000e-03 -3.6783000000e-03  4.9638000000e-03  4.8090000000e-04  3.0880000000e-04
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4026900000e-01 -3.7429000000e-02 -1.7528400000e-01  4.0514900000e-01  1.9725000000e-02 -8.6700500000e-01  1.5662360000e+00  1.5294060000e+00  1.4782330000e+00  2.3891820000e+00  1.3665000000e+00  1.0173060000e+00  9.4366300000e-01  9.2104300000e-01  1.0800750000e+00
-ENERGY -1.526579288552e+02
-FORCES  3.6001000000e-03  7.4048000000e-03  2.7537000000e-03  5.0983000000e-03 -1.3310000000e-04 -8.8840000000e-04 -2.1199000000e-03 -1.6080000000e-04  4.6261000000e-03 -9.8020000000e-03 -1.1080200000e-02 -9.8104000000e-03 -2.9442000000e-03 -1.0500000000e-05 -2.4640000000e-04  6.1678000000e-03  3.9798000000e-03  3.5653000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0366500000e-01  7.0492500000e-01 -4.0698100000e-01  3.4010000000e-01 -5.3216000000e-02  8.9315800000e-01  1.7819670000e+00  2.0886600000e-01  2.3046740000e+00  2.4971920000e+00  2.1725000000e-02  1.6966740000e+00  1.7830760000e+00 -5.3130000000e-01  2.9116210000e+00
-ENERGY -1.526598817888e+02
-FORCES  6.1818000000e-03  4.4189000000e-03  8.5638000000e-03 -7.6450000000e-04 -2.7865000000e-03  4.1900000000e-04 -4.5359000000e-03 -3.0063000000e-03 -7.6729000000e-03  4.6395000000e-03 -3.2162000000e-03  4.2140000000e-04 -4.9621000000e-03  1.1665000000e-03  2.2984000000e-03 -5.5870000000e-04  3.4235000000e-03 -4.0298000000e-03
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3580000000e-01 -5.2805900000e-01  3.0981300000e-01  7.7253200000e-01 -5.3564400000e-01  1.8030700000e-01  1.6944800000e+00 -1.8384810000e+00  1.3481390000e+00  1.2276430000e+00 -1.7719200000e+00  2.1811240000e+00  1.1842690000e+00 -2.4663670000e+00  8.3659600000e-01
-ENERGY -1.526563842668e+02
-FORCES  6.7362000000e-03 -7.8571000000e-03  6.8683000000e-03  2.5526000000e-03  6.8710000000e-04 -5.5070000000e-04 -6.5986000000e-03  1.7086000000e-03 -5.8614000000e-03 -4.9229000000e-03 -8.4200000000e-04  3.5292000000e-03  1.5551000000e-03 -9.9230000000e-04 -4.9583000000e-03  6.7770000000e-04  7.2956000000e-03  9.7290000000e-04
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1040700000e-01 -3.5267700000e-01  5.3588500000e-01 -1.5553900000e-01 -6.7136500000e-01 -6.6431100000e-01  1.5613100000e+00 -1.4376000000e-01  2.2168870000e+00  1.3341300000e+00  6.9878900000e-01  2.6102480000e+00  2.4843190000e+00 -5.6405000000e-02  1.9788670000e+00
-ENERGY -1.526593226967e+02
-FORCES  6.1075000000e-03 -2.5926000000e-03  9.5294000000e-03 -2.9218000000e-03 -8.1300000000e-05 -1.0398700000e-02  2.4370000000e-03  1.2784000000e-03  3.6226000000e-03 -2.7567000000e-03  6.5214000000e-03 -5.7520000000e-04  2.9285000000e-03 -4.3239000000e-03 -9.9170000000e-04 -5.7945000000e-03 -8.0200000000e-04 -1.1864000000e-03
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3466400000e-01  6.2922700000e-01 -5.7564900000e-01  6.5248600000e-01 -2.0243800000e-01  6.7045700000e-01  1.8097510000e+00  1.3570100000e-01  2.1791370000e+00  2.5516900000e+00  2.1537500000e-01  1.5796280000e+00  1.9322820000e+00 -7.1477700000e-01  2.6009250000e+00
-ENERGY -1.526573300997e+02
-FORCES  7.8606000000e-03  3.3397000000e-03  9.3671000000e-03 -2.9980000000e-04 -2.2922000000e-03  2.0331000000e-03 -2.4201000000e-03 -3.1227000000e-03 -9.2812000000e-03  3.3205000000e-03 -1.0075000000e-03  1.3760000000e-03 -6.9914000000e-03 -1.2981000000e-03  5.6980000000e-04 -1.4698000000e-03  4.3808000000e-03 -4.0648000000e-03
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4900400000e-01 -1.2736500000e-01  5.8224000000e-01 -5.6654000000e-02 -7.2238800000e-01 -6.2544200000e-01 -1.6077140000e+00 -2.9769350000e+00  5.4526700000e-01 -1.9252130000e+00 -3.7954820000e+00  1.6394400000e-01 -6.5728200000e-01 -3.0834210000e+00  5.8491400000e-01
-ENERGY -1.526571781105e+02
-FORCES -5.9241000000e-03 -3.6409000000e-03 -4.7210000000e-04  4.4612000000e-03  2.0170000000e-03 -1.6827000000e-03  2.5606000000e-03  2.4277000000e-03  2.3173000000e-03  1.6567000000e-03 -5.7102000000e-03 -2.2920000000e-04  1.8479000000e-03  3.5327000000e-03  1.5332000000e-03 -4.6022000000e-03  1.3737000000e-03 -1.4665000000e-03
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3202300000e-01  2.8440000000e-03  4.7324600000e-01 -5.3360000000e-02  7.5670500000e-01 -5.8376500000e-01 -1.5397070000e+00  3.4071600000e-01  2.2101930000e+00 -1.1785070000e+00 -4.5018400000e-01  2.6104960000e+00 -9.7707500000e-01  1.0478640000e+00  2.5258170000e+00
-ENERGY -1.526589475991e+02
-FORCES -1.0290200000e-02  3.4501000000e-03  8.6261000000e-03  5.9012000000e-03 -3.0246000000e-03 -6.8350000000e-03 -2.8810000000e-04 -1.6004000000e-03  3.2429000000e-03  1.0025400000e-02  3.3710000000e-04 -5.8980000000e-04 -1.9190000000e-03  3.8568000000e-03 -3.4145000000e-03 -3.4293000000e-03 -3.0190000000e-03 -1.0297000000e-03
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4195900000e-01 -6.8549100000e-01  6.2272800000e-01  5.8760000000e-03  8.0608700000e-01  5.1616000000e-01  1.9317620000e+00 -8.9018000000e-02 -1.9506380000e+00  2.8656650000e+00 -1.9305400000e-01 -1.7683340000e+00  1.5219550000e+00 -4.5788000000e-02 -1.0866810000e+00
-ENERGY -1.526582473780e+02
-FORCES -1.3448000000e-03  5.4650000000e-04  1.8444000000e-03  1.5521000000e-03  4.6675000000e-03 -4.6319000000e-03  1.5653000000e-03 -4.8900000000e-03 -2.9295000000e-03 -7.8127000000e-03  7.3200000000e-04  8.5405000000e-03 -4.3066000000e-03  2.5590000000e-04  1.7284000000e-03  1.0346700000e-02 -1.3119000000e-03 -4.5519000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8596000000e-01 -9.1190600000e-01  5.3723000000e-02 -1.3319000000e-02  3.0944100000e-01  9.0570400000e-01 -3.2252700000e-01  3.4562180000e+00  1.7374600000e-01  4.3487100000e-01  3.0271060000e+00 -2.2430300000e-01 -3.4056700000e-01  3.1263530000e+00  1.0721310000e+00
-ENERGY -1.526538559980e+02
-FORCES -2.4605000000e-03 -3.4820000000e-03  3.4412000000e-03  1.1526000000e-03  3.9656000000e-03 -4.3500000000e-05  9.4730000000e-04 -4.5500000000e-05 -3.5393000000e-03  2.8767000000e-03 -4.3830000000e-03  3.1410000000e-04 -2.6514000000e-03  3.4122000000e-03  2.7625000000e-03  1.3530000000e-04  5.3280000000e-04 -2.9349000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9499500000e-01 -1.1647900000e-01 -6.4780100000e-01 -2.6690000000e-01  9.1419800000e-01 -9.6114000000e-02 -1.6417460000e+00 -1.8326860000e+00 -1.4059690000e+00 -1.0440050000e+00 -2.3750620000e+00 -8.9141500000e-01 -1.5400490000e+00 -9.5279800000e-01 -1.0430810000e+00
-ENERGY -1.526579423267e+02
-FORCES  2.8867000000e-03  8.3240000000e-04 -3.6739000000e-03 -4.0286000000e-03  2.8680000000e-04  3.4332000000e-03 -4.2780000000e-04 -5.7899000000e-03 -1.0758000000e-03  7.7458000000e-03  6.3420000000e-03  1.0090100000e-02 -1.2939000000e-03 -6.0170000000e-04 -3.2506000000e-03 -4.8823000000e-03 -1.0696000000e-03 -5.5230000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1363300000e-01 -2.4739600000e-01  4.3935000000e-01  1.2810000000e-02  9.5630500000e-01  3.9360000000e-02  1.6021200000e-01 -1.6704600000e+00 -2.2246200000e+00  2.4724000000e-01 -2.2920320000e+00 -1.5019130000e+00  9.4690000000e-03 -8.2665200000e-01 -1.7985960000e+00
-ENERGY -1.526587397183e+02
-FORCES -2.1786000000e-03  1.3670000000e-04  1.1019000000e-03  4.4522000000e-03  9.6220000000e-04 -2.8651000000e-03 -8.1370000000e-04 -5.2240000000e-03 -1.2360000000e-03  1.1496000000e-03  6.7900000000e-03  1.3174000000e-02 -1.2123000000e-03 -3.3560000000e-04 -2.6444000000e-03 -1.3972000000e-03 -2.3293000000e-03 -7.5304000000e-03
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8599600000e-01 -3.2398700000e-01  4.3985800000e-01  1.4869800000e-01  9.4079500000e-01 -9.4998000000e-02  1.6658930000e+00 -2.0683540000e+00  1.2340110000e+00  1.2994750000e+00 -2.5673430000e+00  5.0395700000e-01  2.6108520000e+00 -2.2062280000e+00  1.1686230000e+00
-ENERGY -1.526606568242e+02
-FORCES  5.3371000000e-03 -1.3211000000e-03  4.6500000000e-03 -5.5366000000e-03  5.6989000000e-03 -6.5123000000e-03  6.2930000000e-04 -3.5470000000e-03  8.7380000000e-04  1.1911000000e-03 -5.7448000000e-03 -2.5003000000e-03  3.0006000000e-03  3.6583000000e-03  3.7125000000e-03 -4.6216000000e-03  1.2556000000e-03 -2.2380000000e-04
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2815000000e-01 -1.8470700000e-01 -9.1107800000e-01 -9.5591800000e-01 -4.4475000000e-02  2.1774000000e-02 -1.2427120000e+00  2.7894050000e+00  7.2761800000e-01 -1.1850870000e+00  2.1340220000e+00  1.4228760000e+00 -4.7681400000e-01  2.6240060000e+00  1.7782200000e-01
-ENERGY -1.526576443409e+02
-FORCES -3.9189000000e-03 -2.1555000000e-03 -4.1581000000e-03 -1.0261000000e-03  1.5938000000e-03  3.9254000000e-03  4.8995000000e-03  3.7170000000e-04  1.0719000000e-03  6.8920000000e-03 -5.4897000000e-03  6.7150000000e-04 -2.8375000000e-03  2.1170000000e-03 -2.1885000000e-03 -4.0091000000e-03  3.5627000000e-03  6.7780000000e-04
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7894600000e-01  3.5082300000e-01 -1.4355600000e-01  1.8556200000e-01  1.8669800000e-01  9.2029500000e-01  1.6505630000e+00  1.7767760000e+00 -1.9280120000e+00  8.7424400000e-01  1.4800350000e+00 -1.4531380000e+00  1.6147120000e+00  1.3092600000e+00 -2.7625030000e+00
-ENERGY -1.526581018169e+02
-FORCES -1.7534000000e-03 -6.5810000000e-04  6.3529000000e-03  5.9839000000e-03  1.3920000000e-04 -1.2025000000e-03 -1.7592000000e-03 -9.0000000000e-04 -4.4263000000e-03 -4.0872000000e-03 -7.0828000000e-03  2.1329000000e-03  1.6983000000e-03  6.5307000000e-03 -5.4283000000e-03 -8.2300000000e-05  1.9710000000e-03  2.5713000000e-03
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6042700000e-01  2.1496900000e-01  5.4015900000e-01 -9.6796000000e-02  7.4960400000e-01 -5.8733000000e-01 -1.4981570000e+00  1.6059700000e-01  2.1059670000e+00 -1.0610290000e+00  9.6407000000e-01  2.3880710000e+00 -1.1319280000e+00 -2.0635000000e-02  1.2403670000e+00
-ENERGY -1.526552966645e+02
-FORCES -4.3307000000e-03  3.6818000000e-03  9.8836000000e-03 -6.1382000000e-03  6.0250000000e-04 -1.9308000000e-03  6.5960000000e-04 -3.2903000000e-03  5.0466000000e-03  1.2431600000e-02  2.5750000000e-04 -1.9294900000e-02  4.4200000000e-04 -2.0967000000e-03 -1.3175000000e-03 -3.0644000000e-03  8.4530000000e-04  7.6129000000e-03
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5655600000e-01 -2.1948000000e-02  2.7394000000e-02  2.0647300000e-01  7.1218700000e-01 -6.0530200000e-01 -1.4909440000e+00 -9.6745000000e-01  2.8847790000e+00 -2.3024000000e+00 -1.1015180000e+00  2.3950890000e+00 -1.3493690000e+00 -2.1097000000e-02  2.8601880000e+00
-ENERGY -1.526528013517e+02
-FORCES -2.9379000000e-03  1.3605000000e-03 -2.7629000000e-03  3.2500000000e-03  1.1533000000e-03 -6.4000000000e-06 -9.4100000000e-04 -3.0308000000e-03  3.2355000000e-03 -8.3780000000e-04  3.3640000000e-03 -1.6082000000e-03  3.6817000000e-03  1.0876000000e-03  8.4550000000e-04 -2.2151000000e-03 -3.9346000000e-03  2.9660000000e-04
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5313000000e-01  2.2469400000e-01  5.4638800000e-01 -1.6938100000e-01  4.3807000000e-01 -8.3404800000e-01  8.7479000000e-02 -2.7277100000e+00 -6.6167000000e-02  8.6199100000e-01 -2.8445180000e+00  4.8403200000e-01  8.2532000000e-02 -1.7943870000e+00 -2.7857100000e-01
-ENERGY -1.526603156014e+02
-FORCES -3.8125000000e-03 -2.0211000000e-03  1.7309000000e-03  3.9694000000e-03 -2.7940000000e-04 -3.6873000000e-03  2.2820000000e-04 -4.1125000000e-03  4.3149000000e-03  2.6204000000e-03  1.5498400000e-02  1.8091000000e-03 -2.2409000000e-03  9.6700000000e-05 -1.1896000000e-03 -7.6460000000e-04 -9.1821000000e-03 -2.9781000000e-03
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7903100000e-01 -2.7736100000e-01 -6.1499600000e-01 -1.2372400000e-01 -7.5376100000e-01  5.7686000000e-01 -1.6666530000e+00 -3.1305280000e+00 -5.3097400000e-01 -2.2382920000e+00 -3.8006660000e+00 -1.5630700000e-01 -1.9280040000e+00 -3.0788160000e+00 -1.4503500000e+00
-ENERGY -1.526563976398e+02
-FORCES  8.9140000000e-04 -6.3990000000e-03 -1.9380000000e-04 -2.2142000000e-03  1.7564000000e-03  1.9293000000e-03  2.0845000000e-03  5.0378000000e-03 -8.5270000000e-04 -4.4027000000e-03 -2.2207000000e-03 -3.1111000000e-03  2.4395000000e-03  2.8837000000e-03 -1.5258000000e-03  1.2016000000e-03 -1.0583000000e-03  3.7541000000e-03
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2324000000e-01 -7.3534100000e-01  3.1894400000e-01 -3.5829300000e-01  1.9140800000e-01 -8.6673000000e-01  1.2262960000e+00 -3.0916930000e+00  2.4189900000e-01  1.9520660000e+00 -3.2648720000e+00 -3.5768200000e-01  1.1400140000e+00 -3.8963990000e+00  7.5301100000e-01
-ENERGY -1.526549505307e+02
-FORCES -2.4371000000e-03 -5.2125000000e-03 -1.6056000000e-03 -3.4780000000e-04  5.2750000000e-03 -8.6890000000e-04  1.5712000000e-03 -5.2120000000e-04  3.0775000000e-03  4.5528000000e-03 -3.1563000000e-03 -1.0251000000e-03 -3.1506000000e-03 -2.1890000000e-04  2.5078000000e-03 -1.8860000000e-04  3.8339000000e-03 -2.0857000000e-03
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7579700000e-01 -1.2079300000e-01 -7.5504800000e-01  8.8401900000e-01 -2.1782000000e-02 -3.6642600000e-01  1.6736240000e+00  2.1874000000e-02 -2.1821140000e+00  1.3371560000e+00 -7.8134700000e-01 -2.5794250000e+00  2.6254130000e+00 -7.3626000000e-02 -2.2169050000e+00
-ENERGY -1.526570644569e+02
-FORCES  7.6716000000e-03  1.9506000000e-03 -1.3741200000e-02 -1.2370000000e-04 -1.3478000000e-03  2.1757000000e-03 -1.8669000000e-03 -1.9620000000e-03  7.2059000000e-03 -1.1452000000e-03 -3.0241000000e-03 -4.9880000000e-04  8.4630000000e-04  4.4420000000e-03  3.1153000000e-03 -5.3821000000e-03 -5.8600000000e-05  1.7431000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2978600000e-01 -1.3223600000e-01 -4.5847600000e-01  3.5976000000e-02 -6.0521100000e-01  7.4071400000e-01  1.6284600000e-01  1.7795550000e+00  2.0696490000e+00 -8.0015000000e-02  2.7051560000e+00  2.0470150000e+00 -9.2455000000e-02  1.4433800000e+00  1.2105570000e+00
-ENERGY -1.526609895131e+02
-FORCES  5.3451000000e-03 -1.3895000000e-03  4.2587000000e-03 -3.9617000000e-03  2.0600000000e-05  2.2726000000e-03 -2.2320000000e-04  4.5415000000e-03 -4.1341000000e-03 -1.6829000000e-03 -4.5081000000e-03 -1.0037800000e-02  6.8350000000e-04 -3.4270000000e-03 -2.0545000000e-03 -1.6090000000e-04  4.7626000000e-03  9.6951000000e-03
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5948700000e-01 -1.1070700000e-01 -8.3237500000e-01  1.6855800000e-01 -8.1252900000e-01  4.7709200000e-01  2.0155840000e+00  1.5392980000e+00  1.2291500000e+00  1.3609190000e+00  1.0803210000e+00  7.0285600000e-01  1.7992110000e+00  2.4660610000e+00  1.1265560000e+00
-ENERGY -1.526603457940e+02
-FORCES  9.6120000000e-04 -4.8731000000e-03  2.4410000000e-04 -3.9750000000e-04  2.6980000000e-03  6.5239000000e-03  1.1550000000e-04  5.1256000000e-03 -3.1209000000e-03 -1.1295500000e-02 -3.5262000000e-03 -4.9090000000e-03  1.0326300000e-02  3.6476000000e-03  1.7324000000e-03  2.8990000000e-04 -3.0719000000e-03 -4.7050000000e-04
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0813000000e-01 -2.3987300000e-01 -1.8437300000e-01  4.1641900000e-01 -8.2083700000e-01  2.6278200000e-01 -2.7746900000e+00 -3.2459800000e-01 -2.0626000000e-02 -2.9239430000e+00 -1.1652430000e+00  4.1212300000e-01 -3.4499500000e+00 -2.7992900000e-01 -6.9757500000e-01
-ENERGY -1.526594759790e+02
-FORCES -1.0948900000e-02 -2.2509000000e-03 -4.9300000000e-04  1.0402500000e-02 -1.6918000000e-03  7.7640000000e-04 -2.9375000000e-03  1.9644000000e-03 -5.0880000000e-04 -1.8751000000e-03 -1.0198000000e-03 -4.4340000000e-04  2.3550000000e-03  3.9909000000e-03 -3.3868000000e-03  3.0039000000e-03 -9.9280000000e-04  4.0556000000e-03
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6784000000e-02  4.5541300000e-01  8.3926800000e-01  9.9549000000e-02 -9.2603500000e-01  2.2086500000e-01 -1.0061650000e+00 -1.0701060000e+00 -2.6921680000e+00 -1.3378690000e+00 -7.3443800000e-01 -1.8593830000e+00 -1.6198180000e+00 -1.7642490000e+00 -2.9326440000e+00
-ENERGY -1.526573248969e+02
-FORCES  3.4305000000e-03 -1.3410000000e-03  4.7366000000e-03  2.7800000000e-05 -2.4341000000e-03 -3.6897000000e-03 -2.4265000000e-03  4.5514000000e-03 -6.0350000000e-04 -2.8867000000e-03  1.7999000000e-03  3.4419000000e-03 -8.4460000000e-04 -5.1300000000e-03 -5.7140000000e-03  2.6996000000e-03  2.5539000000e-03  1.8286000000e-03
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4244000000e-02  2.4771200000e-01 -9.2395800000e-01 -1.3060800000e-01 -9.4824700000e-01 -7.6200000000e-04  1.8093010000e+00  1.7134320000e+00  1.2310400000e+00  1.2531040000e+00  1.0625240000e+00  8.0302700000e-01  2.6917620000e+00  1.3462440000e+00  1.1794040000e+00
-ENERGY -1.526608683560e+02
-FORCES  7.2850000000e-04 -1.0184000000e-03 -7.9810000000e-04  1.0885000000e-03 -2.0167000000e-03  5.1088000000e-03  4.3590000000e-04  4.6771000000e-03 -1.5012000000e-03 -6.1716000000e-03 -9.4126000000e-03 -4.5640000000e-03  6.9387000000e-03  7.4763000000e-03  2.1403000000e-03 -3.0200000000e-03  2.9430000000e-04 -3.8580000000e-04
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6893600000e-01  2.6859700000e-01  5.0281800000e-01  4.8112000000e-02 -9.4802600000e-01  1.2313900000e-01  1.7540870000e+00  1.6970440000e+00  1.5055610000e+00  1.4046620000e+00  9.3998900000e-01  1.0354520000e+00  2.7039670000e+00  1.6146230000e+00  1.4209020000e+00
-ENERGY -1.526609001403e+02
-FORCES -5.4130000000e-03 -1.0540000000e-03  1.5147000000e-03  4.7213000000e-03 -2.3148000000e-03 -2.3046000000e-03  7.9860000000e-04  5.2994000000e-03  2.9580000000e-04 -2.9466000000e-03 -6.1508000000e-03 -6.7546000000e-03  6.2181000000e-03  5.2006000000e-03  7.5918000000e-03 -3.3784000000e-03 -9.8040000000e-04 -3.4310000000e-04
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4920000000e-01 -3.9515700000e-01 -5.8191300000e-01  2.2470100000e-01  9.3035200000e-01  1.3673000000e-02  1.9845300000e-01  2.7588950000e+00 -2.0191900000e-01  8.8196300000e-01  3.2194540000e+00 -6.8867500000e-01 -6.1759000000e-01  3.1702880000e+00 -4.8663300000e-01
-ENERGY -1.526606527729e+02
-FORCES  2.8284000000e-03  1.2134000000e-02 -2.1848000000e-03 -1.4752000000e-03  2.1543000000e-03  1.4255000000e-03  7.4000000000e-06 -1.0075300000e-02  1.0334000000e-03 -2.5772000000e-03 -1.2409000000e-03 -2.8586000000e-03 -3.8037000000e-03 -2.3848000000e-03  1.7087000000e-03  5.0202000000e-03 -5.8720000000e-04  8.7570000000e-04
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6802700000e-01 -8.3012000000e-02  5.6522100000e-01  1.1121900000e-01 -6.8594700000e-01 -6.5828500000e-01  2.3964800000e-01  1.7226410000e+00 -2.0888860000e+00 -5.8328600000e-01  1.5417580000e+00 -2.5430800000e+00  1.8811600000e-01  1.2067080000e+00 -1.2842800000e+00
-ENERGY -1.526591510005e+02
-FORCES  3.6694000000e-03 -5.1370000000e-04 -2.6484000000e-03 -3.8738000000e-03  3.2620000000e-04 -4.0603000000e-03 -5.3740000000e-04  6.8996000000e-03  2.0496000000e-03 -4.4448000000e-03 -7.8012000000e-03  1.3194500000e-02  2.6816000000e-03 -1.0855000000e-03  1.6240000000e-03  2.5051000000e-03  2.1747000000e-03 -1.0159400000e-02
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2171100000e-01  7.8879900000e-01 -3.4086300000e-01  3.5948500000e-01 -4.3350100000e-01 -7.7400200000e-01  1.3150200000e-01 -1.7501720000e+00 -2.4497520000e+00  5.8820600000e-01 -1.3775730000e+00 -3.2039570000e+00  3.2784000000e-02 -2.6780040000e+00 -2.6633260000e+00
-ENERGY -1.526591666704e+02
-FORCES -1.2896000000e-03 -3.0212000000e-03 -7.7922000000e-03  1.6975000000e-03 -2.2594000000e-03  1.0106000000e-03  1.2457000000e-03  6.6983000000e-03  5.8287000000e-03 -2.6560000000e-04 -4.8568000000e-03 -2.9706000000e-03 -2.0616000000e-03 -9.6390000000e-04  4.5248000000e-03  6.7360000000e-04  4.4030000000e-03 -6.0140000000e-04
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7999000000e-01 -2.4590400000e-01 -4.9737200000e-01  1.8391900000e-01 -7.6155200000e-01  5.4995000000e-01 -1.6699570000e+00 -2.0193690000e+00 -1.3250650000e+00 -1.3515400000e+00 -2.6450260000e+00 -6.7437700000e-01 -1.0515990000e+00 -2.0934820000e+00 -2.0519580000e+00
-ENERGY -1.526579025407e+02
-FORCES -7.4401000000e-03 -8.0497000000e-03 -2.3965000000e-03  5.7286000000e-03  5.2837000000e-03  2.3843000000e-03  2.4990000000e-04  1.4535000000e-03 -1.5508000000e-03  5.0332000000e-03 -4.0864000000e-03 -6.2200000000e-04 -5.2010000000e-04  4.3083000000e-03 -2.1132000000e-03 -3.0515000000e-03  1.0907000000e-03  4.2982000000e-03
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2575800000e-01  5.6389500000e-01  7.3978900000e-01 -6.3690800000e-01  5.0751500000e-01 -5.0299900000e-01  1.4243280000e+00 -1.3717130000e+00 -2.9679700000e+00  1.8973400000e+00 -2.1414870000e+00 -3.2841020000e+00  1.9218880000e+00 -6.2797200000e-01 -3.3078430000e+00
-ENERGY -1.526525482389e+02
-FORCES -1.9970000000e-03  3.8026000000e-03 -5.7500000000e-05 -5.5850000000e-04 -2.4870000000e-03 -3.1896000000e-03  2.5140000000e-03 -1.5244000000e-03  2.5950000000e-03  4.3225000000e-03 -5.0400000000e-05 -1.5210000000e-03 -2.0071000000e-03  3.1614000000e-03  1.2854000000e-03 -2.2739000000e-03 -2.9022000000e-03  8.8760000000e-04
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0575700000e-01  3.0786700000e-01  5.6864400000e-01 -1.3017600000e-01  4.7327100000e-01 -8.2176700000e-01 -2.4396300000e-01 -2.6737990000e+00  1.4087000000e-02 -5.6823000000e-02 -1.7449960000e+00 -1.2205600000e-01 -3.1261700000e-01 -3.0367290000e+00 -8.6897600000e-01
-ENERGY -1.526598515736e+02
-FORCES -4.6019000000e-03 -3.8127000000e-03  6.3680000000e-04  3.7679000000e-03 -8.0080000000e-04 -4.0700000000e-03 -1.2840000000e-04 -3.3418000000e-03  4.1322000000e-03  2.3337000000e-03  1.5506200000e-02 -1.8329000000e-03 -1.6660000000e-03 -1.0590300000e-02 -7.7440000000e-04  2.9460000000e-04  3.0394000000e-03  1.9082000000e-03
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0373000000e-02 -4.4832200000e-01  8.4547300000e-01  8.5842600000e-01 -2.1484200000e-01 -3.6493800000e-01  3.0515420000e+00  1.4058550000e+00  8.1226200000e-01  3.8029080000e+00  1.6022520000e+00  2.5270000000e-01  3.0916660000e+00  4.5864200000e-01  9.4420900000e-01
-ENERGY -1.526524877076e+02
-FORCES  4.3392000000e-03 -2.8010000000e-04  2.3045000000e-03  4.4580000000e-04  1.2473000000e-03 -3.5552000000e-03 -3.3900000000e-03 -1.3514000000e-03  1.4519000000e-03  3.8102000000e-03 -1.7864000000e-03 -9.0640000000e-04 -3.6817000000e-03 -1.1085000000e-03  2.2586000000e-03 -1.5235000000e-03  3.2792000000e-03 -1.5534000000e-03
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0863900000e-01 -8.3233000000e-02 -5.0537900000e-01 -8.9475000000e-02 -6.4281300000e-01  7.0357500000e-01  3.5661400000e-01 -1.5329510000e+00  2.0647370000e+00 -2.2547700000e-01 -1.1200540000e+00  2.7026380000e+00  2.2336900000e-01 -2.4723710000e+00  2.1911010000e+00
-ENERGY -1.526571381334e+02
-FORCES  2.7757000000e-03 -1.2138900000e-02  1.2707800000e-02  2.0626000000e-03 -1.7733000000e-03  3.6603000000e-03 -5.1615000000e-03  7.8258000000e-03 -4.6206000000e-03 -1.2232000000e-03  3.0097000000e-03 -5.0520000000e-03  1.7917000000e-03 -2.5062000000e-03 -6.5729000000e-03 -2.4530000000e-04  5.5829000000e-03 -1.2270000000e-04
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1218800000e-01  4.6258000000e-02 -6.3787200000e-01  1.5958700000e-01 -8.1301200000e-01  4.7934900000e-01 -4.4644700000e-01 -1.9319270000e+00  2.0440010000e+00 -1.1748980000e+00 -1.6711620000e+00  2.6075540000e+00 -2.8102800000e-01 -2.8464050000e+00  2.2733440000e+00
-ENERGY -1.526604850980e+02
-FORCES  8.6320000000e-04 -6.2241000000e-03  4.6376000000e-03 -2.0705000000e-03 -1.4926000000e-03  2.7498000000e-03  2.4923000000e-03  6.0438000000e-03 -7.4633000000e-03 -3.7529000000e-03  6.1070000000e-04  2.3086000000e-03  3.4163000000e-03 -3.1191000000e-03 -1.3786000000e-03 -9.4830000000e-04  4.1813000000e-03 -8.5410000000e-04
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2487000000e-01 -4.6348400000e-01 -4.1949700000e-01 -8.0358000000e-02 -4.0966500000e-01  8.6136500000e-01 -1.3354800000e-01 -1.6303260000e+00  2.1063610000e+00 -7.7076600000e-01 -1.8138250000e+00  2.7966610000e+00 -2.6842800000e-01 -2.3269440000e+00  1.4638960000e+00
-ENERGY -1.526582701950e+02
-FORCES  1.6525000000e-03 -8.0885000000e-03  1.4061800000e-02 -2.9851000000e-03 -4.7280000000e-04  1.6073000000e-03  1.9320000000e-04  1.3685000000e-03 -9.0899000000e-03 -3.1440000000e-03  1.8713000000e-03 -4.9209000000e-03  3.0529000000e-03 -3.2070000000e-04 -4.2513000000e-03  1.2306000000e-03  5.6422000000e-03  2.5930000000e-03
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3043300000e-01 -4.2370000000e-03 -4.7602100000e-01  1.0161500000e-01  6.9180800000e-01  6.5368800000e-01 -1.7140450000e+00  9.7372000000e-02 -2.1956130000e+00 -1.3382350000e+00  8.6014600000e-01 -2.6351300000e+00 -1.1836530000e+00 -1.0174000000e-02 -1.4060880000e+00
-ENERGY -1.526599295680e+02
-FORCES  7.0350000000e-04  3.0577000000e-03 -3.8250000000e-04 -5.6899000000e-03  1.3501000000e-03  1.4383000000e-03  9.7480000000e-04 -3.3694000000e-03 -3.7334000000e-03  7.9093000000e-03  2.0184000000e-03  1.0651100000e-02 -2.5720000000e-04 -2.2416000000e-03  1.4322000000e-03 -3.6405000000e-03 -8.1520000000e-04 -9.4058000000e-03
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9249000000e-02 -9.5359500000e-01 -2.4670000000e-02 -8.3082600000e-01  3.1905600000e-01 -3.5236700000e-01 -2.2027200000e-01 -2.6220580000e+00 -2.0376100000e-01  4.1057100000e-01 -3.0326740000e+00 -7.9508500000e-01 -1.7805400000e-01 -3.1479370000e+00  5.9492600000e-01
-ENERGY -1.526600655081e+02
-FORCES -3.5902000000e-03 -1.8175900000e-02 -2.1274000000e-03  1.1835000000e-03  9.1557000000e-03  1.1785000000e-03  1.9459000000e-03 -1.7687000000e-03  7.4560000000e-04  3.2321000000e-03  6.8317000000e-03  9.0890000000e-04 -3.3655000000e-03  1.3876000000e-03  4.1505000000e-03  5.9420000000e-04  2.5695000000e-03 -4.8561000000e-03
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4654700000e-01  4.7355900000e-01 -7.9447400000e-01  6.7378100000e-01  2.3466400000e-01  6.3811000000e-01 -1.8374740000e+00  1.3503370000e+00  1.4824890000e+00 -1.3600540000e+00  9.0211500000e-01  7.8435000000e-01 -1.2008120000e+00  1.4356240000e+00  2.1921510000e+00
-ENERGY -1.526573635923e+02
-FORCES  1.5177000000e-03  4.1033000000e-03  2.6810000000e-03 -2.3078000000e-03 -1.5834000000e-03  5.4137000000e-03 -5.3968000000e-03  3.7540000000e-04 -2.4385000000e-03  1.1734200000e-02 -9.3506000000e-03 -7.7370000000e-03 -5.0365000000e-03  6.8064000000e-03  4.3612000000e-03 -5.1070000000e-04 -3.5100000000e-04 -2.2805000000e-03
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2214800000e-01 -9.1675000000e-02  4.8156100000e-01 -2.2836000000e-02 -7.0252200000e-01 -6.4974900000e-01 -1.2875170000e+00 -3.2212930000e+00  8.1863800000e-01 -1.7577410000e+00 -2.4755130000e+00  4.4589900000e-01 -1.6486570000e+00 -3.9833520000e+00  3.6578600000e-01
-ENERGY -1.526526824980e+02
-FORCES -1.7705000000e-03 -4.1477000000e-03  4.0220000000e-04  2.1823000000e-03 -4.0490000000e-04 -3.0049000000e-03 -1.2911000000e-03  3.8344000000e-03  2.1669000000e-03 -4.0343000000e-03 -1.4842000000e-03 -2.6227000000e-03  3.0157000000e-03 -1.3897000000e-03  1.1776000000e-03  1.8979000000e-03  3.5921000000e-03  1.8809000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5258700000e-01  5.8037000000e-02  5.8862300000e-01  2.0590600000e-01  6.0440100000e-01 -7.1311500000e-01 -1.6523210000e+00  1.8951000000e-01  2.2841710000e+00 -2.6020400000e+00  1.9016900000e-01  2.1647360000e+00 -1.2995130000e+00  7.7367000000e-02  1.4014570000e+00
-ENERGY -1.526615378687e+02
-FORCES  3.1289000000e-03  3.5406000000e-03  7.1150000000e-04 -4.8777000000e-03  1.9840000000e-04 -3.3099000000e-03  1.3680000000e-04 -2.9929000000e-03  3.3602000000e-03  2.2781000000e-03 -8.8520000000e-04 -9.8279000000e-03  3.0939000000e-03  2.2010000000e-04 -7.7150000000e-04 -3.7600000000e-03 -8.1000000000e-05  9.8375000000e-03
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8272200000e-01 -5.7135800000e-01 -5.0021700000e-01  2.8219400000e-01 -5.3515600000e-01  7.4175900000e-01 -1.4294050000e+00 -1.6590810000e+00 -1.7327150000e+00 -1.1546760000e+00 -2.4353360000e+00 -1.2446760000e+00 -1.1060160000e+00 -1.8073870000e+00 -2.6213410000e+00
-ENERGY -1.526585333595e+02
-FORCES -6.6802000000e-03 -6.8346000000e-03 -6.9042000000e-03  5.6352000000e-03  1.7158000000e-03  9.2380000000e-03 -1.7232000000e-03 -8.4000000000e-05 -3.5937000000e-03  4.5803000000e-03 -8.5700000000e-04 -2.9475000000e-03  3.3820000000e-04  6.8895000000e-03 -3.6950000000e-04 -2.1503000000e-03 -8.2970000000e-04  4.5770000000e-03
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5046500000e-01 -2.4325300000e-01 -6.5875200000e-01 -3.8835000000e-02  9.5580300000e-01  3.4117000000e-02 -1.7140870000e+00  1.5049420000e+00 -3.2630870000e+00 -1.9651560000e+00  2.2875470000e+00 -3.7537240000e+00 -2.1524380000e+00  1.6008570000e+00 -2.4175810000e+00
-ENERGY -1.526541459031e+02
-FORCES -1.6744000000e-03  2.6212000000e-03 -3.9215000000e-03  1.6688000000e-03  1.3656000000e-03  4.0086000000e-03 -6.1640000000e-04 -3.7825000000e-03  4.5480000000e-04 -3.4029000000e-03  4.4645000000e-03 -1.7700000000e-04  1.0241000000e-03 -3.3363000000e-03  2.2421000000e-03  3.0009000000e-03 -1.3325000000e-03 -2.6069000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1414200000e-01  9.9996000000e-02  6.2947200000e-01  9.3595000000e-02  7.4796100000e-01 -5.8993800000e-01 -1.6941580000e+00 -1.2333400000e-01  2.1760010000e+00 -1.3129050000e+00 -8.6572800000e-01  2.6447560000e+00 -1.3082900000e+00 -1.6812600000e-01  1.3011690000e+00
-ENERGY -1.526599363205e+02
-FORCES  8.3630000000e-04  4.5304000000e-03  3.2046000000e-03 -4.6737000000e-03 -1.1748000000e-03 -2.8241000000e-03  5.3220000000e-04 -3.5303000000e-03  3.3344000000e-03  6.6201000000e-03 -2.0095000000e-03 -1.1035500000e-02  4.3860000000e-04  2.8763000000e-03 -1.9109000000e-03 -3.7536000000e-03 -6.9200000000e-04  9.2315000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5840600000e-01 -2.4245500000e-01  6.5111400000e-01 -7.9137000000e-02 -7.7205300000e-01 -5.6027000000e-01  2.9180910000e+00 -3.8736800000e-01 -1.2753150000e+00  2.5652360000e+00 -1.4816100000e-01 -4.1828200000e-01  3.6245320000e+00  2.4029200000e-01 -1.4276850000e+00
-ENERGY -1.526532921632e+02
-FORCES  1.1950000000e-03 -5.3878000000e-03 -1.7374000000e-03  7.8170000000e-04  2.4216000000e-03 -4.2908000000e-03 -5.3810000000e-04  3.4455000000e-03  3.6940000000e-03 -8.3700000000e-05  5.6273000000e-03  2.0739000000e-03  1.5940000000e-03 -3.4970000000e-03 -5.4570000000e-04 -2.9489000000e-03 -2.6097000000e-03  8.0610000000e-04
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9440400000e-01  4.0013000000e-01  3.5362400000e-01 -1.6233100000e-01 -9.4192700000e-01  5.1526000000e-02 -1.6254370000e+00  1.9162580000e+00  1.0704310000e+00 -1.2713010000e+00  2.6075360000e+00  5.1100900000e-01 -2.5738080000e+00  1.9770860000e+00  9.5587200000e-01
-ENERGY -1.526603292744e+02
-FORCES -7.8589000000e-03  6.2572000000e-03  6.1848000000e-03  5.3253000000e-03 -7.5750000000e-03 -6.0605000000e-03 -1.4321000000e-03  3.6914000000e-03  6.7000000000e-04  1.9640000000e-03  2.9954000000e-03 -3.3512000000e-03 -3.2038000000e-03 -3.9827000000e-03  2.8242000000e-03  5.2055000000e-03 -1.3862000000e-03 -2.6730000000e-04
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0821000000e-02  8.0411400000e-01 -5.1914900000e-01 -7.9033100000e-01  5.0781000000e-02  5.3761500000e-01  1.1131850000e+00  3.0497450000e+00  4.6045900000e-01  1.4815470000e+00  3.9028370000e+00  2.3073000000e-01  1.3148950000e+00  2.9437270000e+00  1.3901390000e+00
-ENERGY -1.526573518561e+02
-FORCES -1.9839000000e-03  6.2525000000e-03 -3.1910000000e-04 -1.8631000000e-03 -6.2254000000e-03  4.4020000000e-04  2.9650000000e-03 -5.8870000000e-04 -1.4832000000e-03  3.5114000000e-03  2.4961000000e-03  4.0663000000e-03 -1.5460000000e-03 -3.7669000000e-03  1.0659000000e-03 -1.0833000000e-03  1.8324000000e-03 -3.7702000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1430000000e-02 -3.0989300000e-01  9.0418600000e-01 -7.1449500000e-01 -5.0603800000e-01 -3.8685300000e-01  3.0207700000e-01 -2.0118740000e+00  1.7859820000e+00 -4.9079500000e-01 -2.0226080000e+00  2.3221440000e+00  1.8298000000e-01 -2.7322240000e+00  1.1669960000e+00
-ENERGY -1.526549650555e+02
-FORCES  4.8430000000e-04 -1.3308700000e-02  1.0164100000e-02 -3.3709000000e-03  7.0940000000e-03 -1.8250000000e-03  1.8230000000e-03  8.0290000000e-04  4.8830000000e-04 -1.4298000000e-03 -8.2280000000e-04 -7.3572000000e-03  3.4235000000e-03  3.0733000000e-03 -5.1848000000e-03 -9.3010000000e-04  3.1613000000e-03  3.7146000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6778200000e-01 -3.1039300000e-01  6.1151800000e-01 -5.2484000000e-02  9.5437400000e-01  5.1458000000e-02 -1.8713000000e-02  2.5762400000e+00 -3.4169200000e-01 -1.3595300000e-01  3.1003450000e+00 -1.1340310000e+00  7.3160000000e-01  2.9737680000e+00  1.0016000000e-01
-ENERGY -1.526580463239e+02
-FORCES -1.9151000000e-03  1.7263600000e-02 -2.9811000000e-03  1.5705000000e-03  3.1200000000e-03 -1.6553000000e-03  2.0968000000e-03 -6.7185000000e-03  5.4829000000e-03  4.7080000000e-04 -1.0572000000e-02 -3.1330000000e-03  1.9419000000e-03 -1.8370000000e-04  4.9125000000e-03 -4.1648000000e-03 -2.9094000000e-03 -2.6260000000e-03
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2330000000e-03  9.4780500000e-01 -1.3367700000e-01 -1.1069400000e-01 -3.6554500000e-01 -8.7769900000e-01 -1.3773900000e-01  2.5866190000e+00  1.4227400000e-01 -4.6046100000e-01  3.1209720000e+00  8.6791200000e-01  5.5120000000e-03  3.2101250000e+00 -5.6973100000e-01
-ENERGY -1.526574732049e+02
-FORCES -1.6060000000e-03  1.7166400000e-02  7.8610000000e-04  1.3831000000e-03 -7.0429000000e-03 -3.5367000000e-03  4.1300000000e-04  3.7135000000e-03  1.7606000000e-03 -9.3280000000e-04 -1.0529700000e-02  2.3383000000e-03  2.0313000000e-03  7.6600000000e-05 -5.0675000000e-03 -1.2885000000e-03 -3.3838000000e-03  3.7192000000e-03
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7975800000e-01 -7.3242000000e-01 -5.8947400000e-01  9.5147700000e-01 -3.9370000000e-03  1.0443800000e-01 -1.6143040000e+00  1.8405500000e+00 -1.3691390000e+00 -1.1321040000e+00  1.4537510000e+00 -6.3831700000e-01 -1.5377480000e+00  2.7850750000e+00 -1.2340720000e+00
-ENERGY -1.526608851022e+02
-FORCES  1.6747000000e-03 -1.3607000000e-03 -5.1300000000e-03  1.8515000000e-03  3.1643000000e-03  3.6020000000e-03 -4.1548000000e-03 -6.6000000000e-04 -7.1870000000e-04  6.3599000000e-03 -3.9432000000e-03  6.4864000000e-03 -6.7375000000e-03  6.1870000000e-03 -4.6568000000e-03  1.0063000000e-03 -3.3874000000e-03  4.1700000000e-04
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9635800000e-01 -4.5099000000e-02 -6.5519700000e-01  5.1426000000e-02 -8.3628900000e-01  4.6282700000e-01  1.3259370000e+00 -2.2631900000e-01 -2.3280080000e+00  1.0570120000e+00  5.2663800000e-01 -2.8542850000e+00  7.9992800000e-01 -9.5285800000e-01 -2.6622060000e+00
-ENERGY -1.526594765718e+02
-FORCES  9.8684000000e-03 -2.1832000000e-03 -1.2009200000e-02 -5.5807000000e-03  2.9720000000e-04  8.7054000000e-03  2.6020000000e-04  1.7222000000e-03 -3.2977000000e-03 -8.5550000000e-03  9.0240000000e-04  1.8445000000e-03  1.1042000000e-03 -4.3317000000e-03  2.6263000000e-03  2.9029000000e-03  3.5931000000e-03  2.1307000000e-03
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8797700000e-01 -7.2448800000e-01 -4.9073700000e-01  5.2027500000e-01  7.6404800000e-01 -2.4855000000e-01  1.7619490000e+00  4.9412000000e-02  2.1830120000e+00  9.9514900000e-01 -1.0285100000e-01  1.6306850000e+00  1.6623330000e+00  9.5101200000e-01  2.4886680000e+00
-ENERGY -1.526596624046e+02
-FORCES  6.1122000000e-03  5.2860000000e-04 -3.4720000000e-03 -1.6497000000e-03  3.9133000000e-03  3.6245000000e-03 -2.5547000000e-03 -3.9421000000e-03  3.4975000000e-03 -1.0595300000e-02  9.5530000000e-04 -6.7748000000e-03  8.4257000000e-03  9.4280000000e-04  5.6653000000e-03  2.6180000000e-04 -2.3979000000e-03 -2.5405000000e-03
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1231700000e-01 -1.9860900000e-01 -6.0777600000e-01 -1.9514000000e-02  9.5604900000e-01  4.2674000000e-02 -1.4172230000e+00  1.2009380000e+00  2.3058120000e+00 -1.9017460000e+00  5.9808100000e-01  1.7418680000e+00 -1.9523850000e+00  1.2727500000e+00  3.0961770000e+00
-ENERGY -1.526573306715e+02
-FORCES  3.5884000000e-03  4.0406000000e-03 -2.2730000000e-04 -2.4475000000e-03  1.2087000000e-03  2.7187000000e-03 -5.2930000000e-04 -5.1140000000e-03 -2.9477000000e-03 -3.1310000000e-03 -4.3464000000e-03  4.6780000000e-04  3.9400000000e-04  5.1533000000e-03  3.1208000000e-03  2.1254000000e-03 -9.4210000000e-04 -3.1324000000e-03
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1590200000e-01 -8.9265600000e-01 -2.6978500000e-01  9.5680000000e-01  2.7291000000e-02 -4.5270000000e-03 -1.7303860000e+00  1.5032940000e+00 -1.5746070000e+00 -2.5397700000e+00  1.2244470000e+00 -1.1463850000e+00 -1.0500300000e+00  9.5725100000e-01 -1.1806730000e+00
-ENERGY -1.526598856400e+02
-FORCES  2.0842000000e-03 -6.4550000000e-04 -1.0260000000e-03  2.3570000000e-04  6.2223000000e-03  8.9400000000e-05 -5.1291000000e-03 -1.1446000000e-03 -2.0480000000e-04  6.9397000000e-03 -6.4933000000e-03  1.0105100000e-02  2.2938000000e-03 -7.1800000000e-05 -1.5286000000e-03 -6.4243000000e-03  2.1328000000e-03 -7.4351000000e-03
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9797000000e-02  8.3516300000e-01 -4.6727200000e-01 -2.0543100000e-01 -6.4749600000e-01 -6.7437300000e-01 -1.4753150000e+00 -2.1145400000e-01  2.2612430000e+00 -1.1245760000e+00  4.4594600000e-01  2.8621070000e+00 -1.1412220000e+00  4.6184000000e-02  1.4020360000e+00
-ENERGY -1.526590560668e+02
-FORCES -1.9501000000e-03 -2.4800000000e-03  9.2400000000e-05 -1.3647000000e-03 -4.4399000000e-03  3.7210000000e-03  9.4390000000e-04  4.5163000000e-03  3.0845000000e-03  1.0163200000e-02  2.2976000000e-03 -1.1180900000e-02 -7.2080000000e-04 -1.1932000000e-03 -2.6037000000e-03 -7.0715000000e-03  1.2991000000e-03  6.8866000000e-03
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6961400000e-01 -4.9436600000e-01 -2.8200800000e-01 -7.1769000000e-02 -1.8160700000e-01  9.3707000000e-01  1.5436130000e+00  1.2254110000e+00  2.7626710000e+00  1.7848870000e+00  1.9641540000e+00  2.2038520000e+00  5.8652400000e-01  1.2352150000e+00  2.7734760000e+00
-ENERGY -1.526554261672e+02
-FORCES  5.1910000000e-03 -3.6654000000e-03  3.5750000000e-03 -3.5636000000e-03  1.8870000000e-03  2.0500000000e-05 -2.1511000000e-03  2.1266000000e-03 -2.9015000000e-03 -2.6116000000e-03  5.2714000000e-03 -3.3081000000e-03 -3.1790000000e-04 -2.9604000000e-03  3.3393000000e-03  3.4532000000e-03 -2.6591000000e-03 -7.2520000000e-04
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7722000000e-02 -7.1440400000e-01  6.3646700000e-01 -7.6368000000e-01 -1.9270200000e-01 -5.4395900000e-01 -1.4197810000e+00  1.4326930000e+00 -3.2058870000e+00 -1.5787460000e+00  8.1175600000e-01 -3.9168010000e+00 -4.7608100000e-01  1.5907700000e+00 -3.2318470000e+00
-ENERGY -1.526564355782e+02
-FORCES -3.9556000000e-03 -2.9324000000e-03  2.1650000000e-04 -2.0080000000e-04  2.7354000000e-03 -2.6746000000e-03  4.3068000000e-03 -7.7330000000e-04  3.5044000000e-03  3.8743000000e-03 -2.4070000000e-04 -4.0010000000e-03  5.7220000000e-04  2.1906000000e-03  3.4456000000e-03 -4.5969000000e-03 -9.7960000000e-04 -4.9090000000e-04
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7349700000e-01  1.5667700000e-01 -5.4165100000e-01 -7.0357000000e-01  4.7377300000e-01 -4.4357700000e-01  1.7728000000e-02  1.6593030000e+00  2.2750910000e+00 -1.1291300000e-01  8.7740200000e-01  1.7386250000e+00 -9.5847000000e-02  2.3894960000e+00  1.6666910000e+00
-ENERGY -1.526583120645e+02
-FORCES  2.5964000000e-03  4.0039000000e-03 -1.9962000000e-03 -4.7041000000e-03 -2.4410000000e-04  1.6998000000e-03  4.1782000000e-03 -6.8900000000e-04  3.9835000000e-03  5.3930000000e-04 -6.5548000000e-03 -1.1992900000e-02 -2.5532000000e-03  4.9442000000e-03  6.8859000000e-03 -5.6500000000e-05 -1.4603000000e-03  1.4198000000e-03
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4579500000e-01 -6.0070400000e-01  3.7193500000e-01  1.2936900000e-01 -3.1135100000e-01 -8.9585500000e-01  1.7117590000e+00 -1.7656580000e+00  1.5273030000e+00  1.4903090000e+00 -1.1163280000e+00  8.5979800000e-01  2.6604120000e+00 -1.8705910000e+00  1.4546440000e+00
-ENERGY -1.526602098995e+02
-FORCES -6.0736000000e-03 -3.0237000000e-03 -1.0440000000e-03  4.4664000000e-03  3.0878000000e-03 -2.6720000000e-03  1.5626000000e-03  5.1760000000e-04  5.6563000000e-03 -1.2467000000e-03  6.8530000000e-03 -4.1624000000e-03  4.8635000000e-03 -8.7690000000e-03  3.3351000000e-03 -3.5723000000e-03  1.3343000000e-03 -1.1129000000e-03
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7529800000e-01 -2.2264000000e-01 -6.4080900000e-01  3.3207800000e-01  7.8492500000e-01  4.3571800000e-01 -1.5666200000e+00  7.0233300000e-01 -2.2076860000e+00 -1.1904070000e+00  1.4660480000e+00 -2.6452180000e+00 -1.1168780000e+00  6.6356800000e-01 -1.3636120000e+00
-ENERGY -1.526590203509e+02
-FORCES  4.3935000000e-03 -7.9920000000e-04 -1.2651000000e-03 -4.8103000000e-03  3.5014000000e-03  2.8789000000e-03 -2.8671000000e-03 -3.1445000000e-03 -4.7112000000e-03  5.7425000000e-03 -1.0016000000e-03  1.0305700000e-02  3.3300000000e-04 -2.8930000000e-03  2.7659000000e-03 -2.7915000000e-03  4.3369000000e-03 -9.9742000000e-03
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9192800000e-01  3.4138700000e-01  8.7341300000e-01 -7.1939500000e-01  5.4543800000e-01 -3.1811900000e-01 -1.8767000000e-02  1.5766610000e+00  2.3823310000e+00  8.2488200000e-01  1.5650400000e+00  2.8343860000e+00  7.3753000000e-02  2.2606050000e+00  1.7190870000e+00
-ENERGY -1.526582067253e+02
-FORCES -3.9530000000e-03  5.7159000000e-03  1.0720800000e-02  3.3067000000e-03 -1.8632000000e-03 -8.6472000000e-03  2.9840000000e-03 -4.8890000000e-04  4.3830000000e-04  2.6295000000e-03  4.1226000000e-03 -1.0130000000e-04 -4.2864000000e-03 -9.4660000000e-04 -3.9468000000e-03 -6.8070000000e-04 -6.5399000000e-03  1.5361000000e-03
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5372000000e-02 -7.0491800000e-01  6.4315000000e-01 -1.4929000000e-02  8.0150800000e-01  5.2306200000e-01 -2.8325700000e-01 -1.5545560000e+00  2.3993120000e+00 -1.0822260000e+00 -1.1164010000e+00  2.6923990000e+00 -5.1611400000e-01 -2.4824710000e+00  2.3679530000e+00
-ENERGY -1.526603070090e+02
-FORCES  8.1190000000e-04 -4.3905000000e-03  1.1313300000e-02  9.9000000000e-06  4.1344000000e-03 -8.5084000000e-03 -9.8310000000e-04 -1.9184000000e-03 -1.6321000000e-03 -4.9635000000e-03 -8.3210000000e-04  8.6420000000e-04  4.3578000000e-03 -1.9941000000e-03 -1.6630000000e-03  7.6710000000e-04  5.0006000000e-03 -3.7400000000e-04
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5701000000e-01  1.3847000000e-02 -1.3116000000e-02 -2.5413300000e-01  9.2113500000e-01 -5.6204000000e-02 -1.5609360000e+00 -2.3564200000e-01  2.1720880000e+00 -1.6226190000e+00 -1.0435000000e+00  2.6817870000e+00 -9.3707500000e-01 -4.3867900000e-01  1.4750910000e+00
-ENERGY -1.526607973913e+02
-FORCES -1.1959000000e-03  4.4792000000e-03  4.0283000000e-03 -4.8220000000e-03  4.1870000000e-04  3.2290000000e-04  2.4425000000e-03 -5.4296000000e-03  4.7790000000e-04  8.0877000000e-03 -1.5728000000e-03 -1.0571800000e-02  2.0307000000e-03  1.8025000000e-03 -2.8852000000e-03 -6.5431000000e-03  3.0190000000e-04  8.6279000000e-03
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6840900000e-01 -6.9160200000e-01 -5.4972200000e-01 -3.4257400000e-01  8.1183300000e-01 -3.7390200000e-01  9.0080800000e-01 -3.0018310000e+00 -5.4899700000e-01  9.5706500000e-01 -2.3123750000e+00 -1.2105990000e+00  8.6792700000e-01 -3.8153400000e+00 -1.0523410000e+00
-ENERGY -1.526537509727e+02
-FORCES -4.2370000000e-03 -1.2940000000e-04 -1.6378000000e-03  3.9016000000e-03  3.9713000000e-03 -7.4300000000e-04  1.6463000000e-03 -3.8606000000e-03  1.4945000000e-03  2.7065000000e-03 -1.1600000000e-03 -4.1951000000e-03 -4.1554000000e-03 -2.6885000000e-03  2.7611000000e-03  1.3790000000e-04  3.8672000000e-03  2.3202000000e-03
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2377300000e-01 -2.9183600000e-01  5.5427200000e-01  5.8063000000e-02 -6.6316900000e-01 -6.8779900000e-01  1.4806740000e+00  1.5384400000e-01  2.0339430000e+00  1.3243900000e+00 -7.3101300000e-01  2.3638440000e+00  1.1404920000e+00  1.3999900000e-01  1.1393390000e+00
-ENERGY -1.526541873715e+02
-FORCES  7.2693000000e-03 -7.9020000000e-04  1.4219000000e-02  5.5038000000e-03 -3.7790000000e-04 -3.1972000000e-03 -3.8700000000e-04  2.5125000000e-03  5.7068000000e-03 -1.2917500000e-02 -3.4779000000e-03 -2.2053100000e-02 -1.5554000000e-03  2.1083000000e-03 -1.7215000000e-03  2.0868000000e-03  2.5300000000e-05  7.0460000000e-03
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6320200000e-01 -8.8174800000e-01  8.2683000000e-02  1.9665000000e-02  3.5206900000e-01  8.8988300000e-01  2.8159900000e-01  1.6528790000e+00  1.9239270000e+00  1.5187600000e-01  2.3508350000e+00  1.2818510000e+00 -4.9935100000e-01  1.6868230000e+00  2.4763740000e+00
-ENERGY -1.526571838047e+02
-FORCES  3.8812000000e-03  1.2027600000e-02  1.6813800000e-02 -7.9790000000e-04  3.5172000000e-03  2.7238000000e-03 -4.3758000000e-03 -5.7015000000e-03 -7.0835000000e-03 -1.8346000000e-03 -2.7611000000e-03 -1.1854500000e-02 -4.9940000000e-04 -4.3785000000e-03  4.6696000000e-03  3.6264000000e-03 -2.7036000000e-03 -5.2692000000e-03
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.6405000000e-02 -3.5516300000e-01  8.8362700000e-01 -6.9374600000e-01 -5.2723500000e-01 -3.9619600000e-01  2.8007900000e-01 -1.6692480000e+00  2.1067890000e+00  8.2795200000e-01 -1.8942780000e+00  2.8587390000e+00  4.3614100000e-01 -2.3729720000e+00  1.4769900000e+00
-ENERGY -1.526589964308e+02
-FORCES -1.0795000000e-03 -7.4468000000e-03  1.2012400000e-02 -8.8290000000e-04  2.5569000000e-03 -8.0720000000e-03  2.9991000000e-03  2.2400000000e-05  1.2031000000e-03  2.8586000000e-03  9.4570000000e-04 -3.9444000000e-03 -2.3673000000e-03 -3.4850000000e-04 -4.4086000000e-03 -1.5280000000e-03  4.2703000000e-03  3.2095000000e-03
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5186100000e-01 -9.2903000000e-02 -3.9526000000e-02  1.9780600000e-01  4.8040000000e-02  9.3530600000e-01 -2.5787580000e+00 -1.3709000000e-01 -1.8676200000e-01 -2.7129550000e+00  6.9599800000e-01 -6.3863300000e-01 -3.2155800000e+00 -7.3099200000e-01 -5.8421600000e-01
-ENERGY -1.526582223476e+02
-FORCES -1.9299200000e-02 -3.6440000000e-03  6.2200000000e-04  6.7078000000e-03  6.1047000000e-03 -2.7310000000e-04 -2.0173000000e-03 -1.4070000000e-04 -2.3327000000e-03  1.0684500000e-02 -1.4163000000e-03 -1.8037000000e-03  2.0048000000e-03 -5.7940000000e-03  2.3424000000e-03  1.9194000000e-03  4.8903000000e-03  1.4451000000e-03
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6833900000e-01 -1.7821800000e-01 -5.4233400000e-01  7.4447200000e-01 -1.3992800000e-01 -5.8516200000e-01 -1.7509950000e+00 -2.0331300000e-01 -2.1184600000e+00 -1.4981120000e+00 -9.6203600000e-01 -2.6444090000e+00 -2.7042290000e+00 -1.6431300000e-01 -2.1962830000e+00
-ENERGY -1.526592535133e+02
-FORCES -7.3750000000e-03 -1.7000000000e-06 -1.2575400000e-02  5.0033000000e-03 -1.3261000000e-03  7.2007000000e-03 -1.6804000000e-03 -4.7020000000e-04  1.5794000000e-03 -9.3800000000e-05 -1.3077000000e-03  2.9520000000e-04 -9.7380000000e-04  4.0609000000e-03  3.4317000000e-03  5.1198000000e-03 -9.5530000000e-04  6.8500000000e-05
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9520900000e-01  2.0153300000e-01  4.9321300000e-01 -6.8869100000e-01  4.9694600000e-01  4.4156700000e-01 -1.5445090000e+00 -1.3787900000e+00  3.0215640000e+00 -1.9318060000e+00 -6.6257200000e-01  3.5248180000e+00 -1.7587570000e+00 -2.1665450000e+00  3.5213340000e+00
-ENERGY -1.526538724515e+02
-FORCES -5.0640000000e-04  1.0558000000e-03  5.8523000000e-03 -2.5727000000e-03 -1.2930000000e-04 -2.5847000000e-03  2.8428000000e-03 -2.3510000000e-04 -2.7281000000e-03 -2.6984000000e-03 -1.8352000000e-03  4.2231000000e-03  2.0171000000e-03 -2.3607000000e-03 -2.8682000000e-03  9.1750000000e-04  3.5046000000e-03 -1.8944000000e-03
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1327400000e-01  7.0061000000e-02  9.0176600000e-01 -5.5380300000e-01 -6.7354800000e-01 -3.9480100000e-01 -1.5147560000e+00 -1.6606170000e+00 -1.5970750000e+00 -1.4127790000e+00 -2.6109130000e+00 -1.5444310000e+00 -1.5615230000e+00 -1.4758690000e+00 -2.5351120000e+00
-ENERGY -1.526610453103e+02
-FORCES -7.9830000000e-03 -6.9692000000e-03 -5.7733000000e-03  1.1640000000e-04 -1.5429000000e-03 -3.1365000000e-03  5.5964000000e-03  4.6495000000e-03  7.6717000000e-03  3.0045000000e-03  1.8083000000e-03 -2.5477000000e-03 -3.2630000000e-04  4.9915000000e-03 -3.2120000000e-04 -4.0790000000e-04 -2.9372000000e-03  4.1070000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7994800000e-01 -7.2718000000e-01 -5.5594100000e-01  5.0300800000e-01 -1.0760200000e-01  8.0724000000e-01  1.6075300000e+00 -1.2340400000e-01  2.0764220000e+00  1.7073830000e+00 -6.9998200000e-01  2.8339310000e+00  1.4261740000e+00  7.3787500000e-01  2.4526400000e+00
-ENERGY -1.526586654809e+02
-FORCES  1.2712800000e-02 -4.3036000000e-03  1.3069500000e-02 -5.7530000000e-04  1.2668000000e-03  1.9877000000e-03 -5.5322000000e-03  4.9385000000e-03 -4.9261000000e-03 -6.0133000000e-03  2.2090000000e-04 -4.1764000000e-03  8.2000000000e-06  4.0536000000e-03 -3.3902000000e-03 -6.0010000000e-04 -6.1760000000e-03 -2.5644000000e-03
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0507700000e-01  7.3112000000e-01  4.6648500000e-01  4.2736400000e-01 -4.5020000000e-03 -8.5648800000e-01  1.9514230000e+00  1.4690100000e-01 -1.9690250000e+00  2.6896610000e+00  1.4822900000e-01 -1.3597350000e+00  2.0502100000e+00  9.5806300000e-01 -2.4675110000e+00
-ENERGY -1.526592210480e+02
-FORCES  9.9941000000e-03  3.0859000000e-03 -9.7855000000e-03 -4.9100000000e-04 -2.0601000000e-03 -7.8240000000e-04 -6.6345000000e-03 -5.6510000000e-04  6.2571000000e-03  1.8940000000e-03  1.7558000000e-03  3.5212000000e-03 -4.1556000000e-03  1.4797000000e-03 -3.0892000000e-03 -6.0710000000e-04 -3.6961000000e-03  3.8788000000e-03
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3121900000e-01  2.9766800000e-01  6.5512500000e-01 -1.1744700000e-01 -9.4941400000e-01 -3.2423000000e-02 -1.6359660000e+00  1.5177970000e+00  1.9688380000e+00 -2.5906210000e+00  1.4509450000e+00  1.9489330000e+00 -1.4075040000e+00  1.4164070000e+00  2.8928280000e+00
-ENERGY -1.526608356823e+02
-FORCES -5.2029000000e-03  2.0566000000e-03  5.5703000000e-03  5.2738000000e-03 -6.8464000000e-03 -6.8565000000e-03 -3.0300000000e-04  3.3622000000e-03  8.5840000000e-04 -2.8796000000e-03  1.9142000000e-03  4.6423000000e-03  4.9910000000e-03 -4.9580000000e-04  4.0440000000e-04 -1.8794000000e-03  9.2000000000e-06 -4.6189000000e-03
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8612900000e-01 -3.4517200000e-01 -8.0498000000e-01 -3.2781000000e-02  9.5068500000e-01 -1.0655800000e-01 -1.6471900000e-01 -1.5661920000e+00 -2.1661300000e+00 -9.2030800000e-01 -1.8584720000e+00 -2.6759230000e+00  5.2868500000e-01 -1.4423270000e+00 -2.8142660000e+00
-ENERGY -1.526584634879e+02
-FORCES -1.6175000000e-03 -6.4845000000e-03 -1.1085400000e-02 -1.7260000000e-03  6.5309000000e-03  7.0197000000e-03  1.8480000000e-04 -3.6750000000e-03 -1.6112000000e-03  3.8904000000e-03  1.8761000000e-03  7.1000000000e-04  3.8712000000e-03  2.8252000000e-03  2.9787000000e-03 -4.6029000000e-03 -1.0727000000e-03  1.9882000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4060400000e-01 -6.8062400000e-01 -6.2856400000e-01  7.2472100000e-01  1.6418000000e-02  6.2509400000e-01  1.7575480000e+00  2.6698400000e-01  2.0469630000e+00  2.7048190000e+00  2.2599500000e-01  2.1782240000e+00  1.4015220000e+00 -3.6875600000e-01  2.6676990000e+00
-ENERGY -1.526601116553e+02
-FORCES  1.0702900000e-02  1.1552000000e-03  8.1300000000e-03  5.1800000000e-04  1.8056000000e-03  2.8983000000e-03 -8.0708000000e-03 -3.5567000000e-03 -5.5948000000e-03 -7.5410000000e-04 -1.4277000000e-03 -1.0821000000e-03 -5.0192000000e-03 -7.4590000000e-04  3.8980000000e-04  2.6231000000e-03  2.7695000000e-03 -4.7413000000e-03
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2170700000e-01  7.1675300000e-01  4.7398300000e-01 -9.3309600000e-01  1.0596300000e-01  1.8529900000e-01  1.3907400000e-01 -2.8424380000e+00  4.2661800000e-01 -7.5816900000e-01 -3.1562800000e+00  5.3926700000e-01  5.1080000000e-02 -1.8944400000e+00  3.2767800000e-01
-ENERGY -1.526596534607e+02
-FORCES  2.9430000000e-04  3.8573000000e-03  2.7025000000e-03 -3.2613000000e-03 -2.6829000000e-03 -2.6422000000e-03  5.2622000000e-03 -3.1988000000e-03  1.1100000000e-05 -1.1668000000e-03  9.5625000000e-03 -1.6178000000e-03  2.3683000000e-03  2.6095000000e-03 -4.1230000000e-04 -3.4967000000e-03 -1.0147500000e-02  1.9588000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4388900000e-01  3.5806200000e-01 -4.8441000000e-01  1.0284200000e-01 -9.4912400000e-01 -6.9418000000e-02 -1.2423700000e-01  1.6509130000e+00  2.1166580000e+00 -1.9072000000e-01  2.4533710000e+00  1.5990930000e+00 -1.5419100000e-01  9.4538700000e-01  1.4704630000e+00
-ENERGY -1.526594039461e+02
-FORCES  2.9756000000e-03  2.2798000000e-03  4.0290000000e-03 -4.2192000000e-03 -1.9530000000e-03  2.6496000000e-03  4.9330000000e-04  5.1890000000e-03 -2.3260000000e-04 -1.1842000000e-03 -9.0489000000e-03 -1.3797200000e-02  1.2285000000e-03 -2.3276000000e-03  6.5480000000e-04  7.0610000000e-04  5.8608000000e-03  6.6964000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3942400000e-01 -1.1589600000e-01  5.9670100000e-01 -7.6866900000e-01  1.3915000000e-02  5.7025100000e-01 -1.9979250000e+00 -4.7892300000e-01  2.3850870000e+00 -1.6623720000e+00 -1.1522380000e+00  2.9769340000e+00 -2.9424730000e+00 -4.7225700000e-01  2.5400560000e+00
-ENERGY -1.526602349881e+02
-FORCES -3.1239000000e-03 -6.5450000000e-04  7.5773000000e-03 -1.7468000000e-03 -5.1000000000e-05 -2.1894000000e-03  5.5436000000e-03  1.3258000000e-03 -6.7239000000e-03 -3.2936000000e-03 -3.3406000000e-03  3.7471000000e-03 -1.6977000000e-03  3.2502000000e-03 -2.3281000000e-03  4.3183000000e-03 -5.2980000000e-04 -8.3100000000e-05
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3270600000e-01  1.6250100000e-01 -1.4101400000e-01 -2.7407000000e-02 -6.3603500000e-01  7.1480000000e-01  2.8804050000e+00  1.8545100000e+00  7.1806000000e-01  3.6334870000e+00  2.1205180000e+00  1.9048200000e-01  3.0393860000e+00  9.3136900000e-01  9.1495600000e-01
-ENERGY -1.526539794447e+02
-FORCES  3.8285000000e-03  4.9370000000e-04  2.3675000000e-03 -3.6037000000e-03 -4.1713000000e-03  6.9600000000e-04  7.2720000000e-04  2.4627000000e-03 -2.8804000000e-03  5.6111000000e-03 -5.0250000000e-04 -1.2320000000e-04 -3.5893000000e-03 -1.4122000000e-03  2.4582000000e-03 -2.9738000000e-03  3.1296000000e-03 -2.5181000000e-03
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0969100000e-01  2.4492400000e-01  9.0126200000e-01  1.1262300000e-01 -9.5009300000e-01  2.9515000000e-02  1.9983290000e+00  1.5800560000e+00 -1.0696140000e+00  1.6117690000e+00  1.6289010000e+00 -1.9439230000e+00  1.5002660000e+00  8.9414900000e-01 -6.2498400000e-01
-ENERGY -1.526604022076e+02
-FORCES  1.1250000000e-04  8.7150000000e-04  2.3932000000e-03  1.6660000000e-03 -2.3040000000e-03 -4.7432000000e-03  4.2380000000e-04  5.6570000000e-03 -1.2090000000e-04 -1.2280100000e-02 -7.9803000000e-03  2.6595000000e-03  1.6121000000e-03 -8.1900000000e-05  1.9065000000e-03  8.4657000000e-03  3.8378000000e-03 -2.0951000000e-03
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0283300000e-01 -1.0807000000e-01  5.0991400000e-01 -1.6579000000e-02 -7.2097700000e-01 -6.2940300000e-01 -1.6830410000e+00 -9.6477000000e-02  2.1289440000e+00 -1.2812970000e+00  5.7943100000e-01  2.6748220000e+00 -2.5686640000e+00 -1.9276600000e-01  2.4791340000e+00
-ENERGY -1.526605996440e+02
-FORCES -8.2886000000e-03 -3.0068000000e-03  7.7198000000e-03  6.1331000000e-03  1.2268000000e-03 -7.0345000000e-03 -1.2539000000e-03  1.7886000000e-03  2.4720000000e-03  2.6042000000e-03  2.5905000000e-03 -2.6880000000e-04 -3.7788000000e-03 -3.4067000000e-03 -2.1440000000e-03  4.5840000000e-03  8.0760000000e-04 -7.4450000000e-04
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0953100000e-01  9.4751000000e-02 -7.3193300000e-01  3.2113800000e-01 -7.6165500000e-01  4.8268300000e-01 -1.3445850000e+00 -2.9795660000e+00 -8.2391700000e-01 -1.7104250000e+00 -2.2384430000e+00 -3.4108300000e-01 -4.0078000000e-01 -2.9201070000e+00 -6.7583400000e-01
-ENERGY -1.526543883197e+02
-FORCES  4.9990000000e-03 -8.2480000000e-04 -1.6983000000e-03 -2.4814000000e-03 -8.5360000000e-04  3.7390000000e-03 -2.9682000000e-03  1.4489000000e-03 -3.3001000000e-03  1.7387000000e-03  5.9308000000e-03  1.7866000000e-03  1.1417000000e-03 -5.4430000000e-03 -8.9840000000e-04 -2.4298000000e-03 -2.5820000000e-04  3.7120000000e-04
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6323000000e-02 -4.1142000000e-01  8.6411800000e-01  6.6774500000e-01 -4.8551100000e-01 -4.8438400000e-01 -2.5610100000e-01  2.6958270000e+00 -1.9892000000e-02 -9.9242900000e-01  3.0367850000e+00 -5.2763400000e-01 -3.0124000000e-01  1.7471480000e+00 -1.3906100000e-01
-ENERGY -1.526610719474e+02
-FORCES  2.5814000000e-03  4.0930000000e-03  1.8930000000e-03  8.4800000000e-04  6.9170000000e-04 -4.8881000000e-03 -3.3170000000e-03  1.1632000000e-03  3.3225000000e-03  1.5560000000e-04 -1.3094200000e-02 -9.6020000000e-04  2.0663000000e-03 -2.7615000000e-03  1.1326000000e-03 -2.3343000000e-03  9.9078000000e-03 -4.9970000000e-04
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0919400000e-01  9.4940300000e-01  5.4242000000e-02 -1.1065300000e-01 -2.8112400000e-01  9.0827100000e-01  3.3733150000e+00  1.6530180000e+00 -1.8342500000e-01  2.8432240000e+00  1.6639580000e+00 -9.8036600000e-01  4.2775650000e+00  1.6790900000e+00 -4.9628900000e-01
-ENERGY -1.526549184365e+02
-FORCES  1.0975000000e-03  2.5767000000e-03  5.3467000000e-03 -8.3670000000e-04 -3.6927000000e-03 -1.5894000000e-03 -3.9880000000e-04  8.8710000000e-04 -3.7023000000e-03  1.9597000000e-03 -1.0334000000e-03 -5.0120000000e-03  1.8204000000e-03  1.3533000000e-03  3.6786000000e-03 -3.6421000000e-03 -9.1000000000e-05  1.2784000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7185000000e-02  3.6782200000e-01 -8.8244700000e-01  6.3269000000e-02 -9.4522200000e-01 -1.3705400000e-01  1.6201200000e-01  1.3507580000e+00 -2.5221220000e+00  9.1654700000e-01  1.4328690000e+00 -3.1053600000e+00  1.5343900000e-01  2.1682490000e+00 -2.0242610000e+00
-ENERGY -1.526607874433e+02
-FORCES  6.6670000000e-04  4.7630000000e-04 -1.0901500000e-02 -1.7636000000e-03 -3.6850000000e-04  9.9871000000e-03  1.4230000000e-04  2.7676000000e-03  1.4120000000e-04  4.5890000000e-03  2.6564000000e-03 -1.7970000000e-04 -3.8362000000e-03  7.6370000000e-04  2.3725000000e-03  2.0190000000e-04 -6.2954000000e-03 -1.4197000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0059300000e-01  3.0791700000e-01 -1.0174000000e-01  2.7165000000e-01  3.3130900000e-01  8.5596300000e-01  6.4095900000e-01 -2.7438630000e+00  1.4734620000e+00  2.4051300000e-01 -1.9808960000e+00  1.8903020000e+00  1.5811590000e+00 -2.5663310000e+00  1.5006490000e+00
-ENERGY -1.526515916246e+02
-FORCES -2.7173000000e-03  2.1048000000e-03  1.5195000000e-03  4.0796000000e-03 -1.5927000000e-03  8.7440000000e-04 -9.9240000000e-04 -3.5648000000e-03 -2.3725000000e-03  1.4173000000e-03  6.3393000000e-03 -1.9518000000e-03  1.7666000000e-03 -2.4808000000e-03  1.1471000000e-03 -3.5538000000e-03 -8.0580000000e-04  7.8330000000e-04
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2052600000e-01  6.3110000000e-01 -5.8404000000e-01 -9.2322900000e-01  1.7877000000e-02 -2.5211300000e-01 -2.9408410000e+00 -2.7492000000e-01 -3.4520600000e-01 -3.6199990000e+00 -8.3416000000e-01 -7.2233600000e-01 -3.2229250000e+00 -1.3070300000e-01  5.5804500000e-01
-ENERGY -1.526614742117e+02
-FORCES -6.6661000000e-03  7.3170000000e-04 -4.0784000000e-03 -1.7933000000e-03 -2.0659000000e-03  1.6495000000e-03  9.2351000000e-03  2.4874000000e-03  3.2220000000e-03 -3.8477000000e-03 -3.2255000000e-03  1.2929000000e-03  1.7154000000e-03  2.9196000000e-03  2.7071000000e-03  1.3566000000e-03 -8.4720000000e-04 -4.7930000000e-03
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1293400000e-01  2.2016600000e-01 -7.0147700000e-01  6.3531000000e-02  7.3250400000e-01  6.1289000000e-01 -7.6600000000e-03  1.8521870000e+00  2.4922560000e+00  7.8383700000e-01  1.7262740000e+00  3.0156200000e+00 -2.5253000000e-02  2.7908810000e+00  2.3057750000e+00
-ENERGY -1.526601261062e+02
-FORCES  1.3433000000e-03  5.3302000000e-03  3.9372000000e-03 -1.8975000000e-03 -1.3590000000e-04  2.9466000000e-03  9.6830000000e-04 -5.1273000000e-03 -9.1521000000e-03  2.5001000000e-03  3.7029000000e-03  5.4059000000e-03 -3.6947000000e-03  1.3161000000e-03 -3.0267000000e-03  7.8050000000e-04 -5.0861000000e-03 -1.1100000000e-04
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1494500000e-01  2.3674500000e-01 -5.9079400000e-01 -7.6844400000e-01  4.3839300000e-01 -3.6542700000e-01  1.7090900000e+00  1.7524080000e+00 -1.4072540000e+00  1.3367140000e+00  2.5203070000e+00 -9.7378100000e-01  1.3490090000e+00  1.7790620000e+00 -2.2937430000e+00
-ENERGY -1.526581590016e+02
-FORCES  6.4898000000e-03  8.0367000000e-03 -7.7978000000e-03 -6.0656000000e-03 -6.1760000000e-03  2.7807000000e-03  2.1898000000e-03 -5.8950000000e-04  1.1058000000e-03 -3.7371000000e-03  4.1396000000e-03  1.6289000000e-03  1.1962000000e-03 -3.7608000000e-03 -3.4741000000e-03 -7.3100000000e-05 -1.6499000000e-03  5.7566000000e-03
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1195100000e-01  8.2097000000e-02 -6.3452200000e-01 -7.9784700000e-01  5.9298000000e-02 -5.2550400000e-01  1.6212400000e-01 -1.6806710000e+00  2.0896830000e+00 -1.4066300000e-01 -1.2518290000e+00  1.2892790000e+00  8.3919700000e-01 -1.0976000000e+00  2.4329500000e+00
-ENERGY -1.526585181523e+02
-FORCES  2.5899000000e-03 -3.9959000000e-03  1.6854000000e-03 -4.3046000000e-03  6.6440000000e-04  2.7039000000e-03  4.5852000000e-03 -1.8363000000e-03  3.1327000000e-03  1.3192000000e-03  1.3043000000e-02 -1.1923600000e-02 -3.6029000000e-03 -5.5233000000e-03  4.2680000000e-03 -5.8680000000e-04 -2.3518000000e-03  1.3360000000e-04
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0644400000e-01  3.6992000000e-01  5.2946100000e-01 -8.0222400000e-01  3.1555000000e-01  4.1605000000e-01  2.8617200000e+00 -1.6228370000e+00  7.1896700000e-01  3.4919880000e+00 -1.6923590000e+00  1.4360170000e+00  2.0070410000e+00 -1.7067850000e+00  1.1417060000e+00
-ENERGY -1.526556821820e+02
-FORCES  5.1000000000e-06  4.6186000000e-03  1.8937000000e-03 -4.7572000000e-03 -2.7125000000e-03 -6.9930000000e-04  3.7541000000e-03 -1.6622000000e-03 -1.4802000000e-03 -1.3384000000e-03 -2.8970000000e-03  3.5233000000e-03 -3.0366000000e-03  7.4930000000e-04 -2.9789000000e-03  5.3731000000e-03  1.9038000000e-03 -2.5860000000e-04
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3912100000e-01  1.6846200000e-01 -7.6838000000e-02  1.9587900000e-01  1.5018800000e-01  9.2482800000e-01  3.0457100000e-01 -2.6603190000e+00  1.3115310000e+00 -6.3444000000e-02 -1.9250860000e+00  1.8016640000e+00  1.2520890000e+00 -2.5580340000e+00  1.4008600000e+00
-ENERGY -1.526489690083e+02
-FORCES -3.0846000000e-03 -2.1485000000e-03  2.7636000000e-03  4.1945000000e-03 -7.9440000000e-04  1.0113000000e-03 -8.1090000000e-04 -3.0126000000e-03 -2.0441000000e-03  2.3681000000e-03  7.3761000000e-03 -2.5056000000e-03  1.1551000000e-03 -9.2230000000e-04  7.2500000000e-05 -3.8221000000e-03 -4.9830000000e-04  7.0240000000e-04
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6171800000e-01  5.1963100000e-01  4.5644800000e-01  6.1864000000e-02 -8.6906100000e-01  3.9640500000e-01  1.7183630000e+00 -1.5183110000e+00  1.7699380000e+00  1.7815110000e+00 -1.2112300000e+00  2.6743420000e+00  1.6919800000e+00 -2.4724480000e+00  1.8417510000e+00
-ENERGY -1.526578059105e+02
-FORCES  8.9063000000e-03 -5.1870000000e-03  7.8021000000e-03 -2.9550000000e-03  1.9597000000e-03 -1.7141000000e-03 -5.0900000000e-03  8.0810000000e-04 -4.0130000000e-03  6.6830000000e-04 -1.4610000000e-03  3.2987000000e-03 -2.7710000000e-04 -1.0633000000e-03 -4.7453000000e-03 -1.2525000000e-03  4.9435000000e-03 -6.2840000000e-04
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9950500000e-01 -4.5148500000e-01 -4.7232000000e-01  3.7421000000e-02 -3.6017400000e-01  8.8606200000e-01  2.7683370000e+00  1.0625540000e+00 -7.1206500000e-01  3.5344770000e+00  1.1170840000e+00 -1.2832810000e+00  2.7835170000e+00  1.8784010000e+00 -2.1167000000e-01
-ENERGY -1.526565236289e+02
-FORCES  6.9463000000e-03 -1.9531000000e-03 -1.0960000000e-04 -5.9847000000e-03 -1.5107000000e-03  1.8935000000e-03 -2.3940000000e-04  1.7228000000e-03 -2.9402000000e-03  1.2250000000e-03  5.6361000000e-03  1.0472000000e-03 -3.7841000000e-03 -6.0930000000e-04  2.3869000000e-03  1.8370000000e-03 -3.2858000000e-03 -2.2778000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7236600000e-01 -7.3207000000e-01 -4.9157800000e-01  4.3468100000e-01  7.7453900000e-01 -3.5689400000e-01  1.8056370000e+00 -1.7254000000e-02  2.0117050000e+00  1.0210830000e+00  5.5091000000e-02  1.4681320000e+00  1.7997220000e+00  7.7535200000e-01  2.5483360000e+00
-ENERGY -1.526594724631e+02
-FORCES  7.3633000000e-03 -1.5279000000e-03 -1.3803000000e-03 -1.8256000000e-03  4.5461000000e-03  2.8372000000e-03 -1.3871000000e-03 -4.1862000000e-03  4.8841000000e-03 -1.2216100000e-02  1.5140000000e-04 -8.4898000000e-03  9.4298000000e-03  2.6210000000e-03  5.8249000000e-03 -1.3643000000e-03 -1.6043000000e-03 -3.6761000000e-03
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2472200000e-01 -1.3071000000e-02  4.8569000000e-01 -9.3829000000e-02 -6.9542500000e-01 -6.5100900000e-01 -1.5848780000e+00 -1.3594900000e-01  2.1941440000e+00 -1.1858340000e+00 -9.1874300000e-01  2.5739200000e+00 -2.5234520000e+00 -3.2376800000e-01  2.1883310000e+00
-ENERGY -1.526586919714e+02
-FORCES -9.0305000000e-03 -5.4590000000e-04  8.9199000000e-03  4.4097000000e-03 -1.1384000000e-03 -9.3908000000e-03 -1.0034000000e-03  1.5395000000e-03  3.7290000000e-03  3.7163000000e-03 -3.6073000000e-03  1.0748000000e-03 -3.7399000000e-03  3.5119000000e-03 -2.1990000000e-03  5.6479000000e-03  2.4030000000e-04 -2.1339000000e-03
-
-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9995000000e-02  9.5696600000e-01  6.9260000000e-03 -7.2535100000e-01 -2.2909600000e-01  5.8104500000e-01 -1.5470980000e+00 -1.8450590000e+00  1.3913340000e+00 -9.8411800000e-01 -2.5964680000e+00  1.2051340000e+00 -1.3578190000e+00 -1.6234670000e+00  2.3030920000e+00
-ENERGY -1.526593425673e+02
-FORCES -7.0695000000e-03 -4.7017000000e-03  3.8964000000e-03 -1.5796000000e-03 -3.9766000000e-03  1.7668000000e-03  6.2209000000e-03  8.3300000000e-03 -1.9477000000e-03  6.1889000000e-03 -3.8492000000e-03 -4.3230000000e-04 -3.5598000000e-03  2.8865000000e-03  2.3742000000e-03 -2.0090000000e-04  1.3110000000e-03 -5.6575000000e-03
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9988000000e-02  9.3543500000e-01 -1.9670700000e-01 -5.8062000000e-02 -4.2265400000e-01 -8.5686900000e-01  1.8599500000e-01 -1.6562140000e+00 -1.9496170000e+00 -4.5327100000e-01 -1.8351950000e+00 -2.6392090000e+00  9.9698200000e-01 -1.4607880000e+00 -2.4190220000e+00
-ENERGY -1.526568579798e+02
-FORCES  2.9100000000e-05 -1.2560600000e-02 -1.4910600000e-02  3.7290000000e-04 -4.1684000000e-03 -2.3952000000e-03  5.3510000000e-04  8.2559000000e-03  5.3604000000e-03  7.8360000000e-04  5.7917000000e-03  6.0662000000e-03  4.1366000000e-03  2.2574000000e-03  3.7017000000e-03 -5.8573000000e-03  4.2400000000e-04  2.1775000000e-03
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2390400000e-01 -8.3777800000e-01 -4.0524900000e-01  6.1966000000e-01  8.9576000000e-02  7.2403700000e-01  1.3403750000e+00 -1.8313100000e+00 -1.5696310000e+00  1.1284180000e+00 -2.7547760000e+00 -1.7057050000e+00  1.3637650000e+00 -1.4580890000e+00 -2.4507620000e+00
-ENERGY -1.526602257306e+02
-FORCES  8.7582000000e-03 -9.2394000000e-03 -5.0944000000e-03 -6.2462000000e-03  4.6261000000e-03  5.2143000000e-03 -1.8770000000e-03 -2.1480000000e-04 -1.8686000000e-03 -6.3540000000e-04  2.9488000000e-03 -3.3913000000e-03  6.2000000000e-05  5.4040000000e-03  1.0949000000e-03 -6.1700000000e-05 -3.5247000000e-03  4.0452000000e-03
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9560500000e-01  8.6612300000e-01 -2.8050000000e-01 -9.4325500000e-01  9.8647000000e-02  1.2950400000e-01  1.8354600000e+00 -1.8162830000e+00 -1.2003090000e+00  2.5519820000e+00 -1.8995240000e+00 -5.7110400000e-01  1.2642220000e+00 -1.1455200000e+00 -8.2614800000e-01
-ENERGY -1.526606927042e+02
-FORCES -3.6914000000e-03  3.1150000000e-04 -1.1030000000e-03 -8.9070000000e-04 -5.4687000000e-03  9.4350000000e-04  4.4998000000e-03  1.6652000000e-03 -1.7540000000e-04 -6.1020000000e-03  5.1706000000e-03  6.8769000000e-03 -2.2451000000e-03  9.1740000000e-04 -1.8034000000e-03  8.4294000000e-03 -2.5960000000e-03 -4.7387000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1021600000e-01 -5.2558200000e-01 -7.9236900000e-01  2.4173900000e-01  8.6907000000e-01 -3.2017300000e-01  1.8479470000e+00 -1.6024450000e+00  1.2879950000e+00  1.3666570000e+00 -2.3431000000e+00  9.1918200000e-01  1.5598880000e+00 -8.4870500000e-01  7.7308700000e-01
-ENERGY -1.526566462079e+02
-FORCES -5.1500000000e-04 -9.7030000000e-04 -2.2227000000e-03  2.4052000000e-03  1.7568000000e-03  5.1713000000e-03  5.5660000000e-04 -5.7236000000e-03  2.1927000000e-03 -1.2220900000e-02  6.8605000000e-03 -6.5347000000e-03  1.7828000000e-03  1.3267000000e-03  3.3010000000e-04  7.9913000000e-03 -3.2502000000e-03  1.0633000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1955700000e-01  5.5560600000e-01 -2.9961900000e-01 -7.7282400000e-01  3.4720700000e-01 -4.4544700000e-01 -1.9305440000e+00  1.6437980000e+00 -1.1665220000e+00 -1.7794260000e+00  2.3826550000e+00 -5.7704300000e-01 -2.8803680000e+00  1.5252230000e+00 -1.1640960000e+00
-ENERGY -1.526605107108e+02
-FORCES -7.3949000000e-03  7.8431000000e-03 -8.2116000000e-03 -2.0438000000e-03 -8.3570000000e-04  1.6858000000e-03  6.0386000000e-03 -5.1247000000e-03  5.3819000000e-03 -9.6270000000e-04  1.5260000000e-03  3.5935000000e-03 -6.1460000000e-04 -4.2921000000e-03 -3.2373000000e-03  4.9773000000e-03  8.8330000000e-04  7.8770000000e-04
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4538200000e-01 -9.7931000000e-02  1.1355400000e-01 -1.0516500000e-01  8.6092700000e-01 -4.0494100000e-01 -1.4374660000e+00  5.0487800000e-01  2.2491650000e+00 -2.2820020000e+00  6.0012500000e-01  1.8088030000e+00 -8.5971500000e-01  1.3347500000e-01  1.5824600000e+00
-ENERGY -1.526596954828e+02
-FORCES -3.1770000000e-04  5.4418000000e-03  2.7925000000e-03 -5.3772000000e-03  1.2915000000e-03  2.6170000000e-04  6.0230000000e-04 -4.8327000000e-03  2.0643000000e-03  6.0529000000e-03 -4.8398000000e-03 -1.4408600000e-02  2.5600000000e-03  6.9910000000e-04  6.5830000000e-04 -3.5203000000e-03  2.2401000000e-03  8.6318000000e-03
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5514600000e-01  5.2493400000e-01 -7.8524300000e-01 -1.0970800000e-01 -9.0528300000e-01 -2.9096300000e-01 -2.0500230000e+00  1.7269870000e+00  1.1618880000e+00 -1.6646960000e+00  9.1121400000e-01  8.4209400000e-01 -1.7123430000e+00  1.8188220000e+00  2.0528260000e+00
-ENERGY -1.526601872845e+02
-FORCES  2.1796000000e-03  4.1200000000e-05 -5.2853000000e-03 -8.5620000000e-04 -3.8224000000e-03  4.8344000000e-03 -6.1470000000e-04  4.9848000000e-03  1.6806000000e-03  8.1850000000e-03 -6.6809000000e-03  9.9230000000e-04 -7.2220000000e-03  5.4262000000e-03  2.4880000000e-04 -1.6716000000e-03  5.1100000000e-05 -2.4709000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6245100000e-01  6.2507700000e-01  4.5734000000e-01  1.8878700000e-01  4.1732400000e-01 -8.4049500000e-01  8.5747000000e-02  1.5972960000e+00 -1.9690860000e+00 -5.7354700000e-01  2.0614820000e+00 -2.4849290000e+00  8.1313800000e-01  1.4609170000e+00 -2.5761580000e+00
-ENERGY -1.526536744147e+02
-FORCES -2.2850000000e-03  1.8043100000e-02 -1.6860000000e-02  1.6570000000e-04 -1.9656000000e-03  1.3050000000e-04  6.0371000000e-03 -3.7044000000e-03 -6.5950000000e-04 -3.8648000000e-03 -1.0046700000e-02  1.1091800000e-02  4.9467000000e-03 -1.2185000000e-03  1.9270000000e-03 -4.9997000000e-03 -1.1079000000e-03  4.3702000000e-03
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4534200000e-01  1.0900000000e-01 -5.9060700000e-01  1.1028700000e-01  6.8896500000e-01  6.5528300000e-01  1.9372310000e+00  1.0287600000e-01 -1.8709090000e+00  1.7655770000e+00 -5.3503100000e-01 -2.5636150000e+00  2.8916180000e+00  1.3413200000e-01 -1.8045710000e+00
-ENERGY -1.526605386082e+02
-FORCES  1.1239500000e-02  2.5037000000e-03 -9.0189000000e-03 -7.4802000000e-03 -4.9220000000e-04  6.1597000000e-03  1.2031000000e-03 -1.7439000000e-03 -2.3575000000e-03 -2.7781000000e-03 -3.0309000000e-03  3.1123000000e-03  2.4058000000e-03  3.3157000000e-03  3.4865000000e-03 -4.5902000000e-03 -5.5250000000e-04 -1.3820000000e-03
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0182300000e-01  7.5047600000e-01  5.5882400000e-01  9.2836600000e-01  1.0030700000e-01 -2.1049200000e-01 -2.0970850000e+00 -2.5215300000e-01 -2.1143070000e+00 -1.2658010000e+00 -1.4721800000e-01 -1.6515030000e+00 -2.0389320000e+00  3.5426800000e-01 -2.8526180000e+00
-ENERGY -1.526605668876e+02
-FORCES  2.5298000000e-03  3.1964000000e-03  4.5696000000e-03  2.0234000000e-03 -3.4155000000e-03 -3.0262000000e-03 -5.0876000000e-03  1.4030000000e-04  2.0230000000e-04  6.5881000000e-03  1.7887000000e-03  3.7490000000e-03 -6.6320000000e-03 -3.5100000000e-05 -8.4914000000e-03  5.7840000000e-04 -1.6747000000e-03  2.9966000000e-03
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2232300000e-01 -7.0814300000e-01  3.7675500000e-01 -3.9574200000e-01  1.6052200000e-01 -8.5665200000e-01 -1.4724050000e+00 -5.4602000000e-02 -2.4265200000e+00 -2.2609680000e+00 -2.6857000000e-02 -1.8846420000e+00 -1.4627100000e+00  7.8857200000e-01 -2.8795060000e+00
-ENERGY -1.526587243987e+02
-FORCES -6.0373000000e-03 -3.6788000000e-03 -1.1170100000e-02  5.0170000000e-04  2.6845000000e-03 -9.6560000000e-04  2.0270000000e-03  3.0843000000e-03  9.3848000000e-03 -3.6860000000e-03  2.2593000000e-03 -5.9940000000e-04  6.6526000000e-03 -8.5000000000e-06 -6.5770000000e-04  5.4200000000e-04 -4.3407000000e-03  4.0079000000e-03
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5200500000e-01 -2.6597500000e-01 -6.4836700000e-01  7.2905000000e-02  9.4828700000e-01 -1.0802400000e-01  1.3428330000e+00  1.0995290000e+00  3.1995260000e+00  1.8481310000e+00  1.6947000000e+00  2.6457410000e+00  4.3490700000e-01  1.3820080000e+00  3.0894930000e+00
-ENERGY -1.526528132157e+02
-FORCES -2.0709000000e-03  2.1166000000e-03 -3.7148000000e-03  2.8220000000e-03  1.1320000000e-03  3.0434000000e-03 -3.0440000000e-04 -3.4442000000e-03  1.2498000000e-03 -2.1226000000e-03  1.8800000000e-03 -3.5963000000e-03 -2.2434000000e-03 -1.8126000000e-03  2.1186000000e-03  3.9192000000e-03  1.2830000000e-04  8.9920000000e-04
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8451200000e-01  4.6808300000e-01  6.7998400000e-01 -5.9746800000e-01 -6.8989300000e-01 -2.8863700000e-01 -1.4624300000e+00 -2.0440670000e+00 -1.6116820000e+00 -1.6365670000e+00 -1.7513290000e+00 -2.5062280000e+00 -1.7193770000e+00 -2.9661210000e+00 -1.6066080000e+00
-ENERGY -1.526612697233e+02
-FORCES -5.3820000000e-03 -4.6354000000e-03 -1.5368000000e-03  1.1493000000e-03 -1.9482000000e-03 -2.4408000000e-03  4.2526000000e-03  7.3505000000e-03  5.3283000000e-03 -6.9330000000e-04 -2.3795000000e-03 -4.1829000000e-03  2.2000000000e-05 -2.5196000000e-03  3.8965000000e-03  6.5130000000e-04  4.1322000000e-03 -1.0643000000e-03
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8223900000e-01 -7.5623500000e-01 -4.4523500000e-01  9.4409900000e-01 -1.5452600000e-01 -3.2113000000e-02  1.2865880000e+00  1.2966640000e+00 -2.4468600000e+00  4.9197300000e-01  1.6527140000e+00 -2.8444120000e+00  1.2823670000e+00  1.6397970000e+00 -1.5532860000e+00
-ENERGY -1.526556633453e+02
-FORCES  3.0578000000e-03 -4.9321000000e-03 -6.1639000000e-03  6.7130000000e-04  2.5671000000e-03  2.8914000000e-03 -3.3585000000e-03  2.9396000000e-03  1.1864000000e-03 -7.3409000000e-03  1.9968000000e-03  5.0043000000e-03  3.4158000000e-03 -1.1375000000e-03  2.2400000000e-04  3.5544000000e-03 -1.4339000000e-03 -3.1423000000e-03
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1464200000e-01  9.3898000000e-02 -4.9373400000e-01  6.7868600000e-01 -8.1540000000e-02 -6.7005100000e-01 -2.5006600000e-01  1.7136020000e+00  2.1704450000e+00 -1.6113000000e-01  2.6103210000e+00  1.8476170000e+00 -2.1730900000e-01  1.1706290000e+00  1.3828280000e+00
-ENERGY -1.526600976489e+02
-FORCES  1.7025000000e-03  1.0972000000e-03 -1.3169000000e-03  4.9332000000e-03  1.3118000000e-03  3.2745000000e-03 -4.5734000000e-03  1.2080000000e-04  2.0686000000e-03  2.9496000000e-03 -6.0075000000e-03 -1.0625500000e-02 -3.0130000000e-04 -3.0387000000e-03 -1.8600000000e-05 -4.7105000000e-03  6.5163000000e-03  6.6178000000e-03
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3565700000e-01 -8.2490300000e-01 -4.2453900000e-01  9.5411000000e-01  3.9756000000e-02 -6.5771000000e-02 -1.2791350000e+00 -1.8551630000e+00 -1.4558460000e+00 -1.0694380000e+00 -1.5459610000e+00 -2.3371250000e+00 -2.1095270000e+00 -1.4291310000e+00 -1.2432960000e+00
-ENERGY -1.526599574090e+02
-FORCES -4.8683000000e-03 -1.2289900000e-02 -7.2332000000e-03  4.3934000000e-03  8.9542000000e-03  4.9267000000e-03 -3.3606000000e-03 -1.7100000000e-03 -1.7203000000e-03 -1.3157000000e-03  8.3324000000e-03 -1.1000000000e-05 -2.3150000000e-04 -1.1380000000e-03  5.2168000000e-03  5.3826000000e-03 -2.1487000000e-03 -1.1790000000e-03
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9678800000e-01 -7.3265800000e-01  5.8371100000e-01  7.3425600000e-01 -3.0727200000e-01 -5.3168100000e-01 -6.9926900000e-01  1.4376800000e+00  2.3009780000e+00 -5.3689600000e-01  1.4740770000e+00  1.3583530000e+00 -8.1446400000e-01  2.3519020000e+00  2.5601330000e+00
-ENERGY -1.526607054999e+02
-FORCES  2.0703000000e-03 -3.8373000000e-03  3.1175000000e-03  1.4407000000e-03  3.0062000000e-03 -4.3786000000e-03 -3.1144000000e-03  3.4810000000e-04  2.5144000000e-03  1.9856000000e-03  8.4300000000e-05 -6.8527000000e-03 -3.4746000000e-03  3.3269000000e-03  7.9358000000e-03  1.0925000000e-03 -2.9282000000e-03 -2.3363000000e-03
-
-JOB 180
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7032300000e-01  1.9287000000e-01  5.3444800000e-01  2.5602400000e-01  2.4803700000e-01 -8.8834800000e-01  3.3296700000e-01  1.7420710000e+00 -2.1871570000e+00 -4.1567000000e-01  1.7594090000e+00 -2.7833730000e+00  1.0713570000e+00  2.0363340000e+00 -2.7204690000e+00
-ENERGY -1.526591648803e+02
-FORCES  4.4032000000e-03  8.3894000000e-03 -7.2863000000e-03 -1.9670000000e-03 -8.6900000000e-04 -1.5078000000e-03 -1.5202000000e-03 -6.9850000000e-03  5.3164000000e-03 -1.6977000000e-03  1.3949000000e-03 -1.8648000000e-03  4.5626000000e-03 -4.5350000000e-04  2.4904000000e-03 -3.7810000000e-03 -1.4769000000e-03  2.8521000000e-03
-
-JOB 181
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9606800000e-01  5.0919000000e-02 -6.5507800000e-01 -7.8313100000e-01  3.0568600000e-01 -4.5770400000e-01  2.9454190000e+00  1.6105370000e+00  4.0004700000e-01  3.7454910000e+00  1.9992660000e+00  4.6483000000e-02  2.8497610000e+00  2.0049580000e+00  1.2669470000e+00
-ENERGY -1.526560040989e+02
-FORCES  2.0659000000e-03  2.3716000000e-03 -4.4375000000e-03 -5.2604000000e-03 -2.0615000000e-03  1.1425000000e-03  2.9696000000e-03 -1.0378000000e-03  1.8477000000e-03  2.2627000000e-03  3.4181000000e-03  4.0819000000e-03 -3.6732000000e-03 -1.7411000000e-03  1.1495000000e-03  1.6354000000e-03 -9.4930000000e-04 -3.7842000000e-03
-
-JOB 182
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3034300000e-01 -2.5178000000e-02 -2.2374100000e-01 -4.5117300000e-01 -7.6101000000e-02 -8.4076400000e-01  1.4388560000e+00  3.3868830000e+00  1.8307800000e-01  7.2471800000e-01  3.5024980000e+00 -4.4371700000e-01  2.2255890000e+00  3.3235720000e+00 -3.5847000000e-01
-ENERGY -1.526531896944e+02
-FORCES  2.9000000000e-03  1.3610000000e-04 -3.2652000000e-03 -3.9191000000e-03 -9.1440000000e-04  3.3400000000e-05  1.8233000000e-03  9.6340000000e-04  3.3097000000e-03 -1.0719000000e-03  2.3110000000e-04 -4.2131000000e-03  3.5081000000e-03  1.8330000000e-04  1.9498000000e-03 -3.2404000000e-03 -5.9960000000e-04  2.1854000000e-03
-
-JOB 183
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5475800000e-01 -6.1841000000e-02 -2.9059000000e-02  2.6407200000e-01 -6.6241200000e-01  6.3852000000e-01 -2.6737740000e+00 -1.2885000000e-02 -1.9479600000e-01 -2.9763420000e+00  8.7614500000e-01 -9.5630000000e-03 -3.0541610000e+00 -2.2303500000e-01 -1.0476590000e+00
-ENERGY -1.526609686325e+02
-FORCES -1.6166400000e-02 -2.0737000000e-03 -9.2000000000e-05  1.0325900000e-02  1.2308000000e-03  1.4769000000e-03 -2.1164000000e-03  1.5877000000e-03 -1.7283000000e-03  4.8777000000e-03  2.1691000000e-03 -2.4646000000e-03  1.7659000000e-03 -4.9855000000e-03 -1.8434000000e-03  1.3133000000e-03  2.0716000000e-03  4.6514000000e-03
-
-JOB 184
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3887600000e-01  1.0171000000e-01 -1.5620300000e-01 -1.0121400000e-01  1.2491200000e-01  9.4360200000e-01  1.0742150000e+00 -1.1207490000e+00 -2.7924790000e+00  3.0220900000e-01 -1.4487230000e+00 -3.2536430000e+00  1.8155900000e+00 -1.4692980000e+00 -3.2875650000e+00
-ENERGY -1.526552050238e+02
-FORCES  4.8377000000e-03  2.9860000000e-04  9.0200000000e-04 -3.8130000000e-03  1.0704000000e-03  3.7166000000e-03  4.4240000000e-04 -7.9780000000e-04 -3.9948000000e-03 -2.5876000000e-03 -3.1718000000e-03 -3.9903000000e-03  3.9931000000e-03  9.2270000000e-04  6.7990000000e-04 -2.8727000000e-03  1.6779000000e-03  2.6866000000e-03
-
-JOB 185
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0299900000e-01  5.3394700000e-01  3.7003400000e-01  8.0196700000e-01  3.6971400000e-01  3.6931300000e-01  1.4378760000e+00 -1.1827630000e+00  2.8259490000e+00  1.5111450000e+00 -3.5692500000e-01  3.3043380000e+00  5.4248100000e-01 -1.1854760000e+00  2.4875830000e+00
-ENERGY -1.526557642503e+02
-FORCES  2.1691000000e-03  4.3105000000e-03  7.7080000000e-04  3.3059000000e-03 -3.2268000000e-03 -1.6070000000e-04 -5.0627000000e-03 -6.8400000000e-04 -1.3880000000e-03 -4.5010000000e-03  1.3531000000e-03  2.5990000000e-04 -3.3050000000e-04 -2.7020000000e-03 -3.2224000000e-03  4.4192000000e-03  9.4920000000e-04  3.7404000000e-03
-
-JOB 186
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4704700000e-01 -4.3243400000e-01  4.1370800000e-01 -1.1901600000e-01 -4.6609400000e-01 -8.2754000000e-01 -1.1720150000e+00  1.8202930000e+00  2.5571330000e+00 -2.2375200000e-01  1.7043370000e+00  2.4972790000e+00 -1.4966170000e+00  1.5971350000e+00  1.6847420000e+00
-ENERGY -1.526576031338e+02
-FORCES  2.8547000000e-03 -4.8964000000e-03 -2.4913000000e-03 -3.0172000000e-03  2.4809000000e-03 -1.6664000000e-03  6.5350000000e-04  1.8190000000e-03  3.6834000000e-03  3.1772000000e-03 -2.9530000000e-03 -6.6263000000e-03 -2.5148000000e-03  6.8360000000e-04  2.0868000000e-03 -1.1533000000e-03  2.8659000000e-03  5.0139000000e-03
-
-JOB 187
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0912600000e-01 -2.0026000000e-01  6.1095700000e-01 -3.1078000000e-02  9.5632900000e-01 -2.6455000000e-02 -1.4419740000e+00  1.1561140000e+00 -2.8934000000e+00 -1.7593390000e+00  2.0590630000e+00 -2.8794410000e+00 -1.9252970000e+00  7.2097400000e-01 -2.1910580000e+00
-ENERGY -1.526551086882e+02
-FORCES  4.1916000000e-03  3.0610000000e-03  1.4319000000e-03 -2.8012000000e-03  1.0825000000e-03 -2.5311000000e-03 -1.0258000000e-03 -4.0181000000e-03  1.5114000000e-03 -3.6007000000e-03 -2.6960000000e-04  2.4952000000e-03  1.9899000000e-03 -3.5580000000e-03  7.0340000000e-04  1.2461000000e-03  3.7022000000e-03 -3.6108000000e-03
-
-JOB 188
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4295200000e-01  6.3844000000e-02  6.0014900000e-01  2.5876600000e-01 -6.7096500000e-01 -6.3172600000e-01  3.0502260000e+00 -1.2757700000e+00 -5.6879000000e-01  3.8967040000e+00 -1.6944840000e+00 -4.1262700000e-01  3.1760140000e+00 -3.6880700000e-01 -2.8981400000e-01
-ENERGY -1.526567385590e+02
-FORCES  4.9055000000e-03 -5.1173000000e-03 -4.5810000000e-04 -2.1263000000e-03  2.0496000000e-03 -1.9637000000e-03 -3.2209000000e-03  3.9907000000e-03  2.1613000000e-03  6.0228000000e-03  1.1566000000e-03  8.3240000000e-04 -3.5562000000e-03  2.2709000000e-03 -6.0510000000e-04 -2.0250000000e-03 -4.3505000000e-03  3.3100000000e-05
-
-JOB 189
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0842400000e-01  9.4561500000e-01  1.0143400000e-01  2.1251000000e-01 -3.1288200000e-01  8.7930400000e-01 -2.8641900000e-01  2.7429180000e+00  2.1000600000e-01 -1.0698030000e+00  3.1142210000e+00 -1.9579600000e-01 -1.8230100000e-01  3.2343860000e+00  1.0247760000e+00
-ENERGY -1.526607331349e+02
-FORCES -5.1550000000e-04  1.2991100000e-02  3.2900000000e-03  2.1270000000e-04 -1.0096100000e-02 -1.1321000000e-03 -5.7120000000e-04  1.7988000000e-03 -2.0483000000e-03 -1.9225000000e-03 -1.1628000000e-03  1.0352000000e-03  4.1272000000e-03 -1.3537000000e-03  2.9929000000e-03 -1.3307000000e-03 -2.1773000000e-03 -4.1378000000e-03
-
-JOB 190
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1504700000e-01 -8.5174200000e-01  3.0251200000e-01 -5.6617000000e-01  6.3495500000e-01  4.3876500000e-01  1.2492230000e+00  1.4541120000e+00 -2.8914530000e+00  1.9794170000e+00  1.8944660000e+00 -2.4565540000e+00  4.6891900000e-01  1.7930840000e+00 -2.4527550000e+00
-ENERGY -1.526538546607e+02
-FORCES -3.3765000000e-03 -2.7738000000e-03  3.1387000000e-03  1.3022000000e-03  3.8167000000e-03 -9.4670000000e-04  2.7232000000e-03 -1.8467000000e-03 -2.9191000000e-03 -8.3360000000e-04  1.0131000000e-03  6.1617000000e-03 -2.5210000000e-03 -1.0110000000e-03 -2.3465000000e-03  2.7057000000e-03  8.0160000000e-04 -3.0880000000e-03
-
-JOB 191
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8896100000e-01 -2.2848900000e-01  4.9149300000e-01 -6.8013100000e-01 -5.6948500000e-01  3.5963900000e-01 -3.1493120000e+00 -7.0862400000e-01 -1.7738120000e+00 -2.7441690000e+00 -1.5647950000e+00 -1.9118750000e+00 -3.0482060000e+00 -5.4364100000e-01 -8.3637400000e-01
-ENERGY -1.526522627654e+02
-FORCES  1.3888000000e-03 -2.9293000000e-03  3.7031000000e-03 -3.4778000000e-03  9.7110000000e-04 -2.4028000000e-03  1.2640000000e-03  2.2456000000e-03 -1.9266000000e-03  2.8638000000e-03 -1.8286000000e-03  2.3406000000e-03 -2.1055000000e-03  3.3000000000e-03  1.2040000000e-03  6.6600000000e-05 -1.7588000000e-03 -2.9182000000e-03
-
-JOB 192
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4821800000e-01 -5.5976800000e-01  4.2744000000e-01 -3.1470400000e-01  8.7783000000e-02 -8.9971500000e-01  1.1660400000e+00 -1.5165860000e+00 -2.6652110000e+00  1.7948670000e+00 -1.9605670000e+00 -2.0962730000e+00  1.3512030000e+00 -1.8580150000e+00 -3.5400670000e+00
-ENERGY -1.526571729778e+02
-FORCES -3.4416000000e-03 -2.3767000000e-03 -4.4845000000e-03  2.6258000000e-03  1.9628000000e-03 -1.2897000000e-03 -6.2510000000e-04  1.5667000000e-03  5.8289000000e-03  4.6660000000e-03 -3.3285000000e-03 -6.6400000000e-05 -2.3810000000e-03  7.6850000000e-04 -3.8603000000e-03 -8.4400000000e-04  1.4073000000e-03  3.8720000000e-03
-
-JOB 193
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6261800000e-01 -6.0419700000e-01  6.4783200000e-01 -2.4388100000e-01 -3.7891700000e-01 -8.4449700000e-01  1.5294330000e+00 -3.0332350000e+00  9.6263200000e-01  2.2751800000e+00 -3.0305840000e+00  3.6256000000e-01  1.7461880000e+00 -3.7023740000e+00  1.6118640000e+00
-ENERGY -1.526559728707e+02
-FORCES -1.4986000000e-03 -6.2248000000e-03  4.1280000000e-04 -5.4090000000e-04  4.4419000000e-03 -2.6966000000e-03  9.5350000000e-04  2.0447000000e-03  2.6089000000e-03  5.2604000000e-03 -2.1724000000e-03 -9.6700000000e-05 -3.1333000000e-03 -1.0330000000e-03  2.4561000000e-03 -1.0411000000e-03  2.9435000000e-03 -2.6845000000e-03
-
-JOB 194
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7257200000e-01 -6.4941900000e-01  5.2073300000e-01 -4.4246000000e-01 -4.8980000000e-03 -8.4878600000e-01 -1.3084610000e+00  1.8470030000e+00  1.3531600000e+00 -2.0505440000e+00  1.5984070000e+00  8.0202900000e-01 -5.7917600000e-01  1.3207580000e+00  1.0253760000e+00
-ENERGY -1.526552124726e+02
-FORCES -8.6291000000e-03  4.8145000000e-03  2.2093000000e-03  1.2321000000e-03  6.3305000000e-03 -2.3164000000e-03  7.2650000000e-04 -1.2740000000e-04  5.3496000000e-03  9.4120000000e-03 -1.2951800000e-02 -1.3219500000e-02  1.1073000000e-03 -2.5570000000e-04  1.1574000000e-03 -3.8489000000e-03  2.1898000000e-03  6.8196000000e-03
-
-JOB 195
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4102000000e-01 -1.6171100000e-01 -6.7545000000e-02  1.8725100000e-01 -6.0382000000e-02  9.3676200000e-01  1.9451140000e+00  1.3895350000e+00 -1.4197690000e+00  2.0451670000e+00  1.0137800000e+00 -2.2944290000e+00  1.0959210000e+00  1.0685220000e+00 -1.1163670000e+00
-ENERGY -1.526606008886e+02
-FORCES  1.6383000000e-03  6.7080000000e-04  3.0308000000e-03  4.7741000000e-03  6.5380000000e-04  5.6950000000e-04 -2.8337000000e-03 -3.7150000000e-04 -4.2497000000e-03 -8.2022000000e-03 -7.1786000000e-03  3.4589000000e-03 -1.1042000000e-03  8.7070000000e-04  2.6242000000e-03  5.7277000000e-03  5.3548000000e-03 -5.4337000000e-03
-
-JOB 196
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9067100000e-01  6.1740200000e-01 -4.3145600000e-01  4.3189400000e-01 -2.0591200000e-01  8.2903600000e-01  1.6983380000e+00  1.1564000000e-02  2.2696200000e+00  2.0944350000e+00  7.4494800000e-01  2.7402440000e+00  2.2570440000e+00 -1.1088800000e-01  1.5021010000e+00
-ENERGY -1.526560147911e+02
-FORCES  5.2479000000e-03  3.5385000000e-03  9.3816000000e-03 -5.2150000000e-04 -2.6641000000e-03  1.4262000000e-03  1.6713000000e-03 -2.8274000000e-03 -8.3807000000e-03  1.6988000000e-03  4.2909000000e-03 -8.8060000000e-04 -4.7180000000e-04 -3.8713000000e-03 -2.9548000000e-03 -7.6247000000e-03  1.5334000000e-03  1.4084000000e-03
-
-JOB 197
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7308600000e-01  3.1808800000e-01 -8.2210600000e-01 -9.4206800000e-01  1.4150800000e-01 -9.3352000000e-02  1.3173020000e+00  1.7552400000e+00  1.4868620000e+00  1.4854350000e+00  1.3834200000e+00  2.3527220000e+00  6.9231900000e-01  1.1524310000e+00  1.0840580000e+00
-ENERGY -1.526597206462e+02
-FORCES  3.5116000000e-03  5.1420000000e-03 -6.2730000000e-04 -3.2346000000e-03 -9.0840000000e-04  5.4325000000e-03  5.8742000000e-03  7.1670000000e-04  1.2151000000e-03 -8.7743000000e-03 -1.3682800000e-02 -7.3580000000e-03 -1.5527000000e-03  7.2000000000e-05 -2.7463000000e-03  4.1758000000e-03  8.6605000000e-03  4.0841000000e-03
-
-JOB 198
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6429500000e-01  2.1300200000e-01 -3.5193100000e-01  1.5319200000e-01  6.6011000000e-01  6.7603200000e-01 -1.1973420000e+00 -1.4351260000e+00  2.6386660000e+00 -2.4086000000e-01 -1.4516430000e+00  2.6718620000e+00 -1.4712700000e+00 -1.5656370000e+00  3.5465000000e+00
-ENERGY -1.526549700556e+02
-FORCES -5.8692000000e-03  2.6684000000e-03  2.4251000000e-03  4.0331000000e-03  1.6440000000e-04  1.8900000000e-05  8.7870000000e-04 -2.6866000000e-03 -2.5402000000e-03  4.0230000000e-03 -1.8614000000e-03  2.2417000000e-03 -4.2058000000e-03  6.7760000000e-04  2.0564000000e-03  1.1402000000e-03  1.0377000000e-03 -4.2020000000e-03
-
-JOB 199
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1568300000e-01  3.2764600000e-01 -3.7886900000e-01 -6.5096300000e-01  6.6691300000e-01 -2.1841800000e-01  1.9476000000e-02 -2.8944290000e+00  3.0649600000e-01  4.2378000000e-02 -2.0008270000e+00  6.4881500000e-01 -8.4726000000e-02 -3.4458740000e+00  1.0819210000e+00
-ENERGY -1.526599497048e+02
-FORCES -4.3100000000e-04  2.5126000000e-03 -3.9450000000e-03 -3.9765000000e-03 -7.1570000000e-04  1.9601000000e-03  3.6292000000e-03 -1.9195000000e-03  5.5880000000e-04 -8.4260000000e-04  6.4377000000e-03  2.0235000000e-03  1.5036000000e-03 -9.3079000000e-03  1.8316000000e-03  1.1720000000e-04  2.9928000000e-03 -2.4290000000e-03
-
-JOB 200
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1261400000e-01 -1.7667100000e-01 -8.8729400000e-01 -4.8673600000e-01 -7.8721700000e-01  2.4415100000e-01  1.5697100000e+00 -2.0662460000e+00  1.3939940000e+00  2.4757770000e+00 -2.3246850000e+00  1.2252240000e+00  1.4812910000e+00 -1.2117150000e+00  9.7186600000e-01
-ENERGY -1.526599385992e+02
-FORCES -4.7341000000e-03 -4.4772000000e-03 -3.4380000000e-03  3.2840000000e-04  4.1150000000e-04  5.2386000000e-03  4.3303000000e-03  4.7831000000e-03 -1.0761000000e-03  1.1601000000e-03  6.2628000000e-03 -2.3152000000e-03 -3.4449000000e-03  2.0045000000e-03 -4.3070000000e-04  2.3602000000e-03 -8.9847000000e-03  2.0214000000e-03
-
-JOB 201
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8026700000e-01  6.9203000000e-02  6.6983600000e-01 -3.2548000000e-01 -6.6690600000e-01 -6.0459100000e-01 -2.2263900000e-01  2.0353140000e+00 -2.1193540000e+00 -6.6544000000e-02  1.6381560000e+00 -1.2625390000e+00 -1.0775630000e+00  1.6987040000e+00 -2.3877370000e+00
-ENERGY -1.526594516325e+02
-FORCES -2.9268000000e-03 -4.8450000000e-03  9.4300000000e-05  2.8564000000e-03  4.3740000000e-04 -4.6051000000e-03  4.5060000000e-04  4.3576000000e-03  3.0701000000e-03 -1.1441000000e-03 -6.8594000000e-03  7.6055000000e-03 -1.8164000000e-03  6.5372000000e-03 -6.8094000000e-03  2.5803000000e-03  3.7220000000e-04  6.4460000000e-04
-
-JOB 202
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2688000000e-02  9.3856700000e-01  1.6349900000e-01  2.9073000000e-02 -3.9909800000e-01  8.6954400000e-01  2.9439410000e+00 -5.3699100000e-01  1.3663890000e+00  3.7599330000e+00 -1.2670200000e-01  1.6528330000e+00  2.2773980000e+00 -1.8177200000e-01  1.9544120000e+00
-ENERGY -1.526511376853e+02
-FORCES  2.5715000000e-03  1.3139000000e-03  3.2146000000e-03 -6.9680000000e-04 -3.8195000000e-03  2.5200000000e-05  1.2170000000e-04  2.6660000000e-03 -2.0958000000e-03  8.0160000000e-04  3.2250000000e-03  2.8587000000e-03 -3.7498000000e-03 -1.5768000000e-03 -1.6810000000e-03  9.5180000000e-04 -1.8085000000e-03 -2.3217000000e-03
-
-JOB 203
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4486500000e-01  5.3428000000e-02 -8.9131700000e-01 -1.2613600000e-01 -9.1486200000e-01  2.5169100000e-01  9.8158400000e-01  1.0918570000e+00 -2.8202400000e+00  1.7267110000e+00  1.6812550000e+00 -2.7035050000e+00  2.3363700000e-01  1.5792960000e+00 -2.4749730000e+00
-ENERGY -1.526545174016e+02
-FORCES  3.7590000000e-04 -4.3533000000e-03 -4.8728000000e-03 -2.0165000000e-03  2.3513000000e-03  4.3192000000e-03  5.7270000000e-04  3.5869000000e-03 -8.7640000000e-04  2.6955000000e-03  5.4078000000e-03  3.6763000000e-03 -3.1281000000e-03 -2.0024000000e-03 -1.7584000000e-03  1.5006000000e-03 -4.9904000000e-03 -4.8780000000e-04
-
-JOB 204
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4336600000e-01 -1.6055200000e-01  2.2715000000e-02 -2.9446300000e-01 -1.7289200000e-01  8.9422100000e-01  1.5472260000e+00 -1.1867210000e+00  2.7463150000e+00  1.4050550000e+00 -2.5751000000e-01  2.9268270000e+00  1.4332860000e+00 -1.6160820000e+00  3.5941940000e+00
-ENERGY -1.526565704451e+02
-FORCES  3.6109000000e-03 -4.6124000000e-03  4.4849000000e-03 -3.6760000000e-03  2.7028000000e-03 -1.2084000000e-03 -1.7770000000e-04  3.4496000000e-03 -3.2819000000e-03  5.9730000000e-04  6.2990000000e-04  6.0935000000e-03 -7.0770000000e-04 -4.4837000000e-03 -2.4303000000e-03  3.5330000000e-04  2.3138000000e-03 -3.6579000000e-03
-
-JOB 205
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6998200000e-01  7.0335100000e-01 -5.9045600000e-01 -9.4545100000e-01  1.1575500000e-01  9.4635000000e-02  1.8541680000e+00 -1.4919220000e+00 -1.8017670000e+00  2.7658920000e+00 -1.2360630000e+00 -1.6620260000e+00  1.4170240000e+00 -1.2828860000e+00 -9.7627300000e-01
-ENERGY -1.526602291495e+02
-FORCES -4.4106000000e-03  3.0564000000e-03 -2.9668000000e-03 -6.9750000000e-04 -3.7099000000e-03  3.6559000000e-03  4.0836000000e-03  7.7500000000e-04 -5.9980000000e-04 -1.8254000000e-03  1.2188000000e-03  6.4666000000e-03 -3.7946000000e-03  1.8210000000e-04 -2.5800000000e-04  6.6445000000e-03 -1.5224000000e-03 -6.2979000000e-03
-
-JOB 206
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0592000000e-01  8.4664400000e-01 -3.9626000000e-01 -4.6707400000e-01 -6.3762600000e-01 -5.3991400000e-01  1.4086420000e+00 -2.7941270000e+00 -5.3931300000e-01  6.6240600000e-01 -2.6752060000e+00  4.8241000000e-02  1.1751760000e+00 -3.5536120000e+00 -1.0730810000e+00
-ENERGY -1.526533603098e+02
-FORCES -8.2330000000e-04  1.1390000000e-03 -5.5602000000e-03  8.0420000000e-04 -3.4827000000e-03  1.4884000000e-03  4.8210000000e-04  1.2629000000e-03  4.3628000000e-03 -2.4529000000e-03 -2.0555000000e-03  2.4265000000e-03  1.4540000000e-03 -1.0035000000e-03 -4.5984000000e-03  5.3590000000e-04  4.1398000000e-03  1.8809000000e-03
-
-JOB 207
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4398000000e-01  2.9569000000e-02  6.0154000000e-01  1.4400100000e-01  7.3495200000e-01 -5.9610500000e-01 -9.7310000000e-02  1.7106460000e+00 -2.1904330000e+00 -5.8444600000e-01  1.2013180000e+00 -2.8381330000e+00  8.1423300000e-01  1.6543190000e+00 -2.4770480000e+00
-ENERGY -1.526597223489e+02
-FORCES -4.5090000000e-04  8.5418000000e-03 -7.3354000000e-03 -1.6139000000e-03  1.3710000000e-03 -3.7876000000e-03  4.4494000000e-03 -6.9030000000e-03  7.9588000000e-03 -1.1861000000e-03 -5.2451000000e-03 -3.4908000000e-03  3.3127000000e-03  3.3217000000e-03  2.3873000000e-03 -4.5111000000e-03 -1.0864000000e-03  4.2677000000e-03
-
-JOB 208
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7363700000e-01 -7.1976000000e-02 -5.5905000000e-01 -7.3941900000e-01 -5.2274000000e-02 -6.0560600000e-01 -1.5709450000e+00 -4.0764700000e-01 -2.1509420000e+00 -1.1247150000e+00 -1.1620880000e+00 -2.5355580000e+00 -1.4322600000e+00  2.9985500000e-01 -2.7805760000e+00
-ENERGY -1.526581109978e+02
-FORCES -8.9593000000e-03 -2.3856000000e-03 -1.5346200000e-02 -1.6452000000e-03 -1.9710000000e-04  9.5660000000e-04  4.8079000000e-03  1.7302000000e-03  7.2370000000e-03  6.1663000000e-03 -6.6100000000e-05  1.5743000000e-03 -1.1579000000e-03  5.1327000000e-03  1.8303000000e-03  7.8830000000e-04 -4.2141000000e-03  3.7480000000e-03
-
-JOB 209
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1774200000e-01 -6.8220600000e-01 -5.2565900000e-01  5.1883100000e-01  3.5213000000e-02  8.0362100000e-01  1.5660420000e+00  2.0457010000e+00 -1.5437490000e+00  1.6766290000e+00  2.9938640000e+00 -1.4731220000e+00  7.7147800000e-01  1.8588550000e+00 -1.0437610000e+00
-ENERGY -1.526601903626e+02
-FORCES  5.4520000000e-03 -4.9030000000e-03  6.0010000000e-04 -2.5086000000e-03  2.6741000000e-03  3.1045000000e-03 -2.6206000000e-03  5.3800000000e-04 -3.6217000000e-03 -5.1967000000e-03 -5.1570000000e-04  3.1150000000e-03 -1.0452000000e-03 -3.7893000000e-03  8.4940000000e-04  5.9192000000e-03  5.9959000000e-03 -4.0473000000e-03
-
-JOB 210
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9417300000e-01  1.7872700000e-01  8.5376600000e-01  9.4078700000e-01  1.0220600000e-01  1.4389200000e-01  2.5335950000e+00  5.0761100000e-01  2.1498800000e-01  2.9940850000e+00  5.1656800000e-01  1.0540940000e+00  2.8791350000e+00  1.2655950000e+00 -2.5649300000e-01
-ENERGY -1.526577785425e+02
-FORCES  1.9435700000e-02  4.4856000000e-03  3.1103000000e-03  2.8119000000e-03 -2.5200000000e-04 -1.5430000000e-03 -7.8391000000e-03 -2.3076000000e-03  5.8000000000e-05 -1.1491900000e-02  7.4590000000e-04 -1.2025000000e-03 -2.7928000000e-03  1.2127000000e-03 -4.4129000000e-03 -1.2390000000e-04 -3.8845000000e-03  3.9900000000e-03
-
-JOB 211
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4853300000e-01 -7.6503600000e-01  5.1882900000e-01  9.4471800000e-01  8.1877000000e-02  1.3051900000e-01 -1.8014710000e+00 -1.7393080000e+00  1.2941050000e+00 -2.5234130000e+00 -1.1921590000e+00  9.8481500000e-01 -1.5860490000e+00 -1.3868130000e+00  2.1575700000e+00
-ENERGY -1.526597407658e+02
-FORCES -3.4758000000e-03 -7.7412000000e-03  3.1767000000e-03  6.9630000000e-03  8.0664000000e-03 -1.1780000000e-03 -3.9317000000e-03 -1.7034000000e-03  1.1971000000e-03 -4.6970000000e-03  5.7330000000e-03  1.8340000000e-04  3.4145000000e-03 -3.2973000000e-03  2.4996000000e-03  1.7271000000e-03 -1.0576000000e-03 -5.8789000000e-03
-
-JOB 212
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0868700000e-01 -6.0874000000e-01  5.3563500000e-01 -3.9274500000e-01 -6.0673000000e-02 -8.7080600000e-01 -1.5709780000e+00 -1.4318400000e-01 -2.3883470000e+00 -2.3443730000e+00  1.4014100000e-01 -1.9006800000e+00 -1.4770930000e+00  5.0454300000e-01 -3.0868220000e+00
-ENERGY -1.526606788452e+02
-FORCES -5.7823000000e-03 -3.6215000000e-03 -9.2681000000e-03  4.9760000000e-04  2.4369000000e-03 -1.8854000000e-03  3.5300000000e-03  1.8059000000e-03  9.7714000000e-03 -2.5762000000e-03  4.1143000000e-03 -1.1349000000e-03  5.4088000000e-03 -1.7106000000e-03 -1.3909000000e-03 -1.0779000000e-03 -3.0250000000e-03  3.9079000000e-03
-
-JOB 213
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4052800000e-01 -1.9004900000e-01 -4.1668500000e-01  2.0808300000e-01  6.4318000000e-01  6.7768200000e-01  1.7052000000e-01  1.8561780000e+00  2.0796460000e+00 -6.4731500000e-01  1.5633250000e+00  2.4816590000e+00  8.4433000000e-01  1.6467810000e+00  2.7264570000e+00
-ENERGY -1.526610370871e+02
-FORCES  3.4652000000e-03  9.3599000000e-03  7.5746000000e-03 -1.8738000000e-03  1.2463000000e-03  2.4868000000e-03 -1.5607000000e-03 -9.1743000000e-03 -6.7517000000e-03 -2.0017000000e-03 -2.3354000000e-03  3.4914000000e-03  5.4730000000e-03  7.2210000000e-04 -2.7195000000e-03 -3.5019000000e-03  1.8140000000e-04 -4.0816000000e-03
-
-JOB 214
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2781100000e-01 -3.4087300000e-01  3.3877300000e-01 -1.2975100000e-01 -4.6349000000e-01 -8.2738900000e-01  2.1258000000e-02 -1.6814890000e+00 -2.0991320000e+00  7.4699500000e-01 -1.8266300000e+00 -2.7061500000e+00  7.0160000000e-02 -2.4155150000e+00 -1.4867230000e+00
-ENERGY -1.526579156517e+02
-FORCES  3.1728000000e-03 -8.9981000000e-03 -1.3906300000e-02 -2.2992000000e-03 -1.7690000000e-04 -7.1780000000e-04 -1.9445000000e-03  1.7445000000e-03  8.5476000000e-03  3.2615000000e-03  2.0988000000e-03  4.1786000000e-03 -3.3030000000e-03 -7.3910000000e-04  4.0634000000e-03  1.1124000000e-03  6.0708000000e-03 -2.1655000000e-03
-
-JOB 215
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3785200000e-01 -5.6500800000e-01 -7.3513500000e-01 -5.7327400000e-01 -2.8035300000e-01  7.1343600000e-01 -6.2551200000e-01  2.9393310000e+00  1.2266930000e+00 -5.4190000000e-02  2.2716320000e+00  1.6061680000e+00 -1.7162000000e-01  3.2201680000e+00  4.3212200000e-01
-ENERGY -1.526559300753e+02
-FORCES -4.9105000000e-03 -3.1211000000e-03 -7.1830000000e-04  8.5790000000e-04  2.3196000000e-03  3.0150000000e-03  3.6701000000e-03  1.0738000000e-03 -2.2334000000e-03  5.3805000000e-03 -4.2435000000e-03 -4.6087000000e-03 -3.0859000000e-03  2.8191000000e-03  1.1929000000e-03 -1.9121000000e-03  1.1521000000e-03  3.3524000000e-03
-
-JOB 216
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4951800000e-01  6.9906500000e-01 -4.7484000000e-01  5.1519400000e-01 -1.1779200000e-01  7.9808000000e-01 -1.2920890000e+00 -3.2200810000e+00 -8.8651400000e-01 -7.4123300000e-01 -3.3000930000e+00 -1.0780500000e-01 -1.3365690000e+00 -4.1079980000e+00 -1.2412780000e+00
-ENERGY -1.526527074362e+02
-FORCES  3.7321000000e-03  3.0491000000e-03  2.6660000000e-04 -1.8636000000e-03 -2.7528000000e-03  2.2250000000e-03 -2.3281000000e-03 -4.9610000000e-04 -3.2844000000e-03  2.6158000000e-03 -2.6997000000e-03  2.3269000000e-03 -2.3547000000e-03 -1.0362000000e-03 -2.7483000000e-03  1.9860000000e-04  3.9356000000e-03  1.2142000000e-03
-
-JOB 217
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3362500000e-01 -1.2261000000e-02  8.5325900000e-01  8.9692200000e-01  2.7469500000e-01  1.9054000000e-01  1.4260580000e+00  3.3002140000e+00 -8.2432900000e-01  2.1375780000e+00  3.4258510000e+00 -1.9648600000e-01  1.5590680000e+00  3.9864390000e+00 -1.4782680000e+00
-ENERGY -1.526536376649e+02
-FORCES  2.2004000000e-03  3.1439000000e-03  3.3272000000e-03  1.7065000000e-03 -2.2640000000e-04 -3.2244000000e-03 -3.1519000000e-03 -2.8256000000e-03  4.4430000000e-04  2.8599000000e-03  4.2852000000e-03 -1.2642000000e-03 -3.1527000000e-03 -1.6296000000e-03 -2.2671000000e-03 -4.6210000000e-04 -2.7476000000e-03  2.9842000000e-03
-
-JOB 218
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2122900000e-01 -5.9959700000e-01  4.1326800000e-01 -3.2817200000e-01  8.7263100000e-01  2.1691000000e-01 -1.9343230000e+00 -1.5200620000e+00  1.0729710000e+00 -2.0038370000e+00 -2.4737950000e+00  1.0306290000e+00 -1.7740650000e+00 -1.3319380000e+00  1.9977190000e+00
-ENERGY -1.526588738052e+02
-FORCES -1.3841300000e-02 -8.2573000000e-03  4.8459000000e-03  7.8487000000e-03  6.2817000000e-03  6.8350000000e-04  4.4560000000e-04 -2.9624000000e-03  7.3080000000e-04  4.1587000000e-03 -2.6000000000e-04 -1.1543000000e-03  3.1150000000e-04  5.2018000000e-03  1.5375000000e-03  1.0768000000e-03 -3.7000000000e-06 -6.6435000000e-03
-
-JOB 219
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9582800000e-01  5.5903500000e-01 -4.9869900000e-01  8.7428100000e-01  2.7165000000e-01 -2.7941200000e-01 -3.0674020000e+00  5.4390700000e-01  8.9051900000e-01 -3.6901770000e+00  5.7810000000e-02  1.4309750000e+00 -3.1928340000e+00  1.9570800000e-01  7.7640000000e-03
-ENERGY -1.526533042046e+02
-FORCES -1.0840000000e-04  4.6572000000e-03 -1.7811000000e-03  2.6199000000e-03 -3.4343000000e-03 -4.7210000000e-04 -3.7296000000e-03 -1.1421000000e-03  1.5151000000e-03 -2.5608000000e-03 -5.2054000000e-03  2.5850000000e-04  2.0564000000e-03  2.2912000000e-03 -2.2712000000e-03  1.7224000000e-03  2.8335000000e-03  2.7507000000e-03
-
-JOB 220
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9460500000e-01  2.1699800000e-01  7.9025900000e-01  1.2215500000e-01  7.5570400000e-01 -5.7464900000e-01  1.4990500000e+00 -2.7247950000e+00  6.5250000000e-01  2.0407810000e+00 -1.9381370000e+00  5.8982900000e-01  1.8249940000e+00 -3.1793900000e+00  1.4292460000e+00
-ENERGY -1.526522568059e+02
-FORCES  7.8190000000e-04  3.5047000000e-03  1.6420000000e-03 -5.1050000000e-04 -1.0460000000e-03 -3.8750000000e-03 -1.1640000000e-04 -3.8985000000e-03  2.4314000000e-03  2.8213000000e-03  2.0929000000e-03  9.5010000000e-04 -1.0578000000e-03 -3.1909000000e-03  1.9864000000e-03 -1.9185000000e-03  2.5378000000e-03 -3.1349000000e-03
-
-JOB 221
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6155400000e-01  4.2224500000e-01 -5.4798500000e-01 -1.7470000000e-03  5.0996300000e-01  8.1004100000e-01 -1.8048460000e+00  1.8340030000e+00 -9.9057700000e-01 -1.3791530000e+00  1.0382940000e+00 -6.7141400000e-01 -2.7008370000e+00  1.5630940000e+00 -1.1906760000e+00
-ENERGY -1.526608407288e+02
-FORCES  3.5564000000e-03  5.5031000000e-03  3.7830000000e-04 -5.0917000000e-03 -1.7957000000e-03  2.9911000000e-03 -2.0145000000e-03 -2.0689000000e-03 -5.9034000000e-03  5.2682000000e-03 -1.0764800000e-02  3.2355000000e-03 -5.1843000000e-03  9.7779000000e-03 -2.0810000000e-03  3.4659000000e-03 -6.5160000000e-04  1.3795000000e-03
-
-JOB 222
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7288100000e-01 -7.8091000000e-01 -5.2585500000e-01 -2.3652100000e-01 -2.5414800000e-01  8.9201900000e-01  2.7838620000e+00 -1.5848300000e-01  4.9938000000e-02  2.7635650000e+00 -1.0149120000e+00 -3.7708400000e-01  1.8662090000e+00  1.1055600000e-01  9.1923000000e-02
-ENERGY -1.526589785280e+02
-FORCES  4.1000000000e-04 -4.8811000000e-03  8.7750000000e-04  2.3375000000e-03  3.5191000000e-03  3.3051000000e-03  2.6972000000e-03  9.6160000000e-04 -5.1903000000e-03 -1.4601600000e-02 -3.4540000000e-04 -2.2600000000e-03 -4.0520000000e-04  1.8691000000e-03  1.1334000000e-03  9.5621000000e-03 -1.1233000000e-03  2.1343000000e-03
-
-JOB 223
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2817900000e-01  4.1912800000e-01 -2.3384300000e-01 -6.6720900000e-01  6.5382100000e-01 -2.0876500000e-01 -1.7227540000e+00  1.8380000000e+00 -9.3234400000e-01 -2.6784140000e+00  1.8768730000e+00 -8.9447200000e-01 -1.5205940000e+00  1.8096490000e+00 -1.8675230000e+00
-ENERGY -1.526597620259e+02
-FORCES -9.2747000000e-03  1.2553400000e-02 -4.0416000000e-03 -2.9035000000e-03 -6.8130000000e-04 -6.7860000000e-04  6.8671000000e-03 -6.3539000000e-03  1.3967000000e-03  1.4332000000e-03 -5.5864000000e-03 -3.8860000000e-04  4.9056000000e-03 -4.9200000000e-05 -1.6478000000e-03 -1.0277000000e-03  1.1740000000e-04  5.3600000000e-03
-
-JOB 224
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5708700000e-01 -8.3751000000e-01 -3.8563500000e-01 -9.5480700000e-01 -4.2895000000e-02  5.2308000000e-02  3.7939400000e-01 -3.0936120000e+00  1.5993230000e+00  3.1869000000e-01 -2.9441120000e+00  6.5582100000e-01  1.3192940000e+00 -3.1096930000e+00  1.7797740000e+00
-ENERGY -1.526516584780e+02
-FORCES -3.6610000000e-03 -3.6750000000e-03  4.3440000000e-04 -5.1440000000e-04  1.2982000000e-03  1.4224000000e-03  4.1559000000e-03  3.8990000000e-04 -1.0393000000e-03  4.3652000000e-03  1.5139000000e-03 -1.9778000000e-03 -2.2160000000e-04  9.3520000000e-04  2.2243000000e-03 -4.1241000000e-03 -4.6220000000e-04 -1.0641000000e-03
-
-JOB 225
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1860800000e-01  2.5085000000e-02 -2.6788300000e-01 -4.7407400000e-01 -2.5372200000e-01 -7.9190300000e-01 -6.3170600000e-01  2.6631590000e+00 -1.9316900000e+00 -1.5392750000e+00  2.6963260000e+00 -1.6292830000e+00 -1.1153600000e-01  2.6461440000e+00 -1.1283440000e+00
-ENERGY -1.526571788137e+02
-FORCES  1.5263000000e-03 -1.9812000000e-03 -6.1031000000e-03 -3.7063000000e-03  8.3650000000e-04  1.6698000000e-03  1.6132000000e-03  1.7130000000e-04  4.4154000000e-03 -1.6641000000e-03 -4.0120000000e-04  6.8252000000e-03  3.1998000000e-03 -2.4090000000e-04 -2.0461000000e-03 -9.6890000000e-04  1.6154000000e-03 -4.7613000000e-03
-
-JOB 226
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3711400000e-01  2.3745000000e-01 -3.9885900000e-01 -1.7673800000e-01  7.0394000000e-01  6.2407100000e-01  1.1129300000e-01  1.8409620000e+00  1.9246020000e+00  7.3963900000e-01  1.6329910000e+00  2.6160940000e+00 -1.0188000000e-02  2.7883220000e+00  1.9877120000e+00
-ENERGY -1.526592050946e+02
-FORCES  2.6471000000e-03  1.2849000000e-02  1.0271600000e-02 -1.6738000000e-03 -9.5400000000e-04  9.6780000000e-04 -1.5188000000e-03 -5.1562000000e-03 -4.8459000000e-03  1.4479000000e-03 -5.1594000000e-03 -3.6837000000e-03 -2.8310000000e-03  3.1997000000e-03 -3.1342000000e-03  1.9286000000e-03 -4.7791000000e-03  4.2440000000e-04
-
-JOB 227
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1462900000e-01  1.3701400000e-01  7.9537100000e-01  4.5572700000e-01  5.0798200000e-01 -6.7119200000e-01  1.6924400000e+00 -4.6494300000e-01  2.3237530000e+00  2.4474320000e+00 -6.0077900000e-01  1.7512440000e+00  1.8452470000e+00 -1.0504370000e+00  3.0654260000e+00
-ENERGY -1.526589292559e+02
-FORCES  3.9307000000e-03  9.5490000000e-04  6.2270000000e-03 -1.5998000000e-03  2.1191000000e-03 -9.0718000000e-03 -1.8700000000e-04 -2.3493000000e-03  3.1057000000e-03  1.2198000000e-03 -5.0520000000e-03  1.2093000000e-03 -4.4841000000e-03  1.9641000000e-03  1.9754000000e-03  1.1204000000e-03  2.3631000000e-03 -3.4457000000e-03
-
-JOB 228
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6220800000e-01  9.4287100000e-01 -3.0228000000e-02 -9.0744700000e-01 -9.6779000000e-02 -2.8880000000e-01 -1.0437000000e-02 -2.1599920000e+00  1.9632800000e+00  3.3941500000e-01 -1.4417850000e+00  1.4360090000e+00 -2.7929000000e-02 -2.9088350000e+00  1.3673270000e+00
-ENERGY -1.526607431289e+02
-FORCES -4.3540000000e-03  2.6345000000e-03 -2.3110000000e-04 -1.5646000000e-03 -4.1875000000e-03 -1.1890000000e-04  4.6592000000e-03  1.1201000000e-03  3.7310000000e-04  2.1413000000e-03  5.0194000000e-03 -7.6562000000e-03 -1.5460000000e-04 -7.0629000000e-03  5.9402000000e-03 -7.2730000000e-04  2.4764000000e-03  1.6928000000e-03
-
-JOB 229
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2935000000e-01  8.4750300000e-01  2.9916200000e-01  9.4871100000e-01  1.1603000000e-01 -5.2124000000e-02 -1.4910350000e+00  1.7516590000e+00  1.4942020000e+00 -2.3388880000e+00  1.5064690000e+00  1.1237170000e+00 -1.3938940000e+00  1.1903320000e+00  2.2634280000e+00
-ENERGY -1.526606541337e+02
-FORCES -4.2996000000e-03  9.9637000000e-03  5.5029000000e-03  4.8602000000e-03 -7.4643000000e-03 -5.9107000000e-03 -3.5188000000e-03  9.0370000000e-04  1.5983000000e-03 -1.5621000000e-03 -7.6213000000e-03  1.2191000000e-03  5.1419000000e-03  8.6740000000e-04  1.4064000000e-03 -6.2160000000e-04  3.3508000000e-03 -3.8161000000e-03
-
-JOB 230
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4399700000e-01 -7.0740000000e-02  7.8440700000e-01 -3.3514800000e-01  7.7220300000e-01 -4.5564300000e-01 -2.0037140000e+00  1.7870810000e+00 -1.0136350000e+00 -1.7706240000e+00  1.5928160000e+00 -1.9214680000e+00 -2.0833020000e+00  2.7405390000e+00 -9.8506000000e-01
-ENERGY -1.526588606886e+02
-FORCES -1.0435900000e-02  7.5438000000e-03  3.7100000000e-04  2.8989000000e-03 -1.0405000000e-03 -1.0952000000e-03  6.6494000000e-03 -4.3300000000e-03 -2.1976000000e-03 -1.5060000000e-03  1.7667000000e-03 -3.2604000000e-03  1.5220000000e-03  1.1743000000e-03  6.4028000000e-03  8.7170000000e-04 -5.1143000000e-03 -2.2040000000e-04
-
-JOB 231
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7099400000e-01 -1.7171100000e-01  5.4066100000e-01  2.9828700000e-01  6.3893000000e-01 -6.4732200000e-01 -1.4859470000e+00 -3.5900110000e+00  6.4434800000e-01 -1.6518250000e+00 -4.2717110000e+00 -6.8070000000e-03 -5.3545500000e-01 -3.5923510000e+00  7.5744700000e-01
-ENERGY -1.526528085897e+02
-FORCES  3.9182000000e-03  2.3608000000e-03 -3.0670000000e-04 -3.0756000000e-03  6.7100000000e-05 -2.3445000000e-03 -1.3168000000e-03 -2.7753000000e-03  2.6646000000e-03  3.4211000000e-03 -1.5268000000e-03 -2.9236000000e-03  5.5550000000e-04  2.5761000000e-03  2.7193000000e-03 -3.5024000000e-03 -7.0200000000e-04  1.9090000000e-04
-
-JOB 232
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7651500000e-01  7.1433200000e-01 -6.1221200000e-01 -9.5250400000e-01 -5.1700000000e-03  9.4561000000e-02  1.4476700000e+00 -2.0447140000e+00 -1.3338330000e+00  8.2045800000e-01 -1.7779220000e+00 -6.6177700000e-01  1.4764430000e+00 -2.9993380000e+00 -1.2698240000e+00
-ENERGY -1.526600846393e+02
-FORCES -3.9350000000e-04  4.1692000000e-03 -4.6887000000e-03 -2.3225000000e-03 -2.3498000000e-03  3.8078000000e-03  4.5889000000e-03 -9.9340000000e-04 -8.6760000000e-04 -4.2555000000e-03  3.6750000000e-03  5.3865000000e-03  3.9182000000e-03 -8.3100000000e-03 -4.5165000000e-03 -1.5355000000e-03  3.8090000000e-03  8.7850000000e-04
-
-JOB 233
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1712000000e-02 -7.3899600000e-01  6.0413100000e-01  6.9212700000e-01 -2.5502700000e-01 -6.1004300000e-01 -1.1370310000e+00 -3.0783350000e+00 -7.4403600000e-01 -1.4551140000e+00 -3.1340620000e+00 -1.6451180000e+00 -1.5787590000e+00 -3.7952040000e+00 -2.8883700000e-01
-ENERGY -1.526561571063e+02
-FORCES  9.6780000000e-04 -7.4779000000e-03 -8.8570000000e-04  1.5118000000e-03  5.0344000000e-03  1.8500000000e-05 -1.8701000000e-03  2.2557000000e-03  1.8941000000e-03 -4.1862000000e-03 -2.5251000000e-03 -3.1217000000e-03  1.5674000000e-03 -6.3030000000e-04  3.7078000000e-03  2.0094000000e-03  3.3432000000e-03 -1.6130000000e-03
-
-JOB 234
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4975300000e-01 -3.9852600000e-01  4.4190400000e-01 -1.0001000000e-02 -3.7923800000e-01 -8.7881200000e-01 -1.3329010000e+00  1.0404070000e+00 -3.0556630000e+00 -4.2789700000e-01  1.3148630000e+00 -3.2035600000e+00 -1.7435580000e+00  1.7898770000e+00 -2.6245160000e+00
-ENERGY -1.526567613779e+02
-FORCES -4.6053000000e-03 -3.3457000000e-03 -3.3902000000e-03  3.0103000000e-03  1.6333000000e-03 -1.0853000000e-03  2.4186000000e-03  9.5500000000e-04  4.7089000000e-03  1.5800000000e-03  6.0572000000e-03  1.7504000000e-03 -3.5888000000e-03 -2.2819000000e-03  6.6280000000e-04  1.1852000000e-03 -3.0178000000e-03 -2.6465000000e-03
-
-JOB 235
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2835000000e-01  5.4964000000e-02  2.2666700000e-01  3.0994100000e-01 -7.8765400000e-01  4.4695600000e-01  1.7392010000e+00 -1.6271010000e+00  1.4009400000e+00  2.6893190000e+00 -1.5493640000e+00  1.3145450000e+00  1.5763470000e+00 -1.5471860000e+00  2.3407930000e+00
-ENERGY -1.526591844225e+02
-FORCES  5.6319000000e-03 -7.1102000000e-03  4.8771000000e-03  3.8887000000e-03 -1.3064000000e-03  1.0283000000e-03 -8.4044000000e-03  4.5155000000e-03 -3.0376000000e-03  2.4666000000e-03  5.4396000000e-03 -5.2630000000e-04 -3.7930000000e-03 -1.1484000000e-03  2.3266000000e-03  2.1010000000e-04 -3.9010000000e-04 -4.6681000000e-03
-
-JOB 236
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8840400000e-01  8.9623000000e-02  5.3536700000e-01  1.3510400000e-01  6.0503200000e-01 -7.2932500000e-01 -2.0175700000e-01 -1.8897150000e+00 -2.2884340000e+00  4.3915700000e-01 -1.3653780000e+00 -2.7685710000e+00 -2.6857300000e-01 -1.4636480000e+00 -1.4338970000e+00
-ENERGY -1.526588946567e+02
-FORCES  4.0879000000e-03  3.8531000000e-03  1.1578000000e-03 -3.7028000000e-03  3.0810000000e-04 -3.2472000000e-03  2.5700000000e-05 -5.6999000000e-03  2.2069000000e-03  2.5463000000e-03  5.3920000000e-03  7.1396000000e-03 -2.2487000000e-03 -6.2180000000e-04  1.6475000000e-03 -7.0840000000e-04 -3.2315000000e-03 -8.9046000000e-03
-
-JOB 237
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3162000000e-01 -2.9312500000e-01 -5.4317800000e-01 -4.3108000000e-02 -5.5356500000e-01  7.7970500000e-01 -7.3645000000e-02  2.8112250000e+00  8.2186000000e-02 -2.6127500000e-01  1.9051430000e+00  3.2722400000e-01 -2.8834500000e-01  3.3205530000e+00  8.6367200000e-01
-ENERGY -1.526596036595e+02
-FORCES -1.1222000000e-03 -3.5178000000e-03 -1.3818000000e-03  3.4556000000e-03  2.0274000000e-03  3.9675000000e-03 -5.7600000000e-04  3.9417000000e-03 -3.6655000000e-03  4.4130000000e-04 -9.6521000000e-03  1.6587000000e-03 -2.8433000000e-03  1.0649800000e-02  1.3576000000e-03  6.4460000000e-04 -3.4490000000e-03 -1.9364000000e-03
-
-JOB 238
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0944100000e-01  3.8640900000e-01  5.1343300000e-01  7.9787600000e-01  2.5449400000e-01  4.6352800000e-01  3.0346320000e+00 -1.8253250000e+00  1.1170660000e+00  2.2510480000e+00 -1.7817810000e+00  1.6650910000e+00  2.8232780000e+00 -2.4757700000e+00  4.4737800000e-01
-ENERGY -1.526561267292e+02
-FORCES  8.4960000000e-04  3.9341000000e-03  2.7961000000e-03  3.1819000000e-03 -1.9565000000e-03 -1.7975000000e-03 -5.0415000000e-03 -1.5328000000e-03 -9.9660000000e-04 -4.2466000000e-03 -4.2869000000e-03 -1.2204000000e-03  3.6285000000e-03  1.3998000000e-03 -1.9348000000e-03  1.6281000000e-03  2.4422000000e-03  3.1531000000e-03
-
-JOB 239
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1869500000e-01  7.3345300000e-01  5.7484900000e-01  9.5409500000e-01  2.7640000000e-02 -7.1902000000e-02  1.4423180000e+00  2.6972760000e+00  7.9993000000e-01  2.2822560000e+00  2.9210190000e+00  3.9908800000e-01  7.9690100000e-01  2.8619670000e+00  1.1251100000e-01
-ENERGY -1.526570254490e+02
-FORCES  5.7891000000e-03  4.4958000000e-03  5.1108000000e-03 -2.3604000000e-03 -1.7878000000e-03 -4.0978000000e-03 -3.4207000000e-03 -1.9085000000e-03 -2.0348000000e-03  1.5582000000e-03  3.1572000000e-03 -4.8215000000e-03 -3.7812000000e-03 -1.5489000000e-03  1.4935000000e-03  2.2151000000e-03 -2.4078000000e-03  4.3498000000e-03
-
-JOB 240
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3935500000e-01  7.6949800000e-01 -5.1654000000e-01 -5.7141400000e-01  3.8570000000e-02  7.6696200000e-01 -4.3534900000e-01 -2.6683900000e+00  1.4503700000e+00 -2.0634200000e-01 -3.2049020000e+00  2.2092790000e+00  4.4891000000e-02 -3.0640840000e+00  7.2302700000e-01
-ENERGY -1.526566735873e+02
-FORCES -3.9642000000e-03  1.3796000000e-03  3.2418000000e-03  7.9880000000e-04 -3.4457000000e-03  2.1673000000e-03  2.2883000000e-03  3.5074000000e-03 -4.2283000000e-03  4.1398000000e-03 -3.4560000000e-03 -2.1867000000e-03 -8.8770000000e-04  2.5413000000e-03 -3.0807000000e-03 -2.3750000000e-03 -5.2650000000e-04  4.0866000000e-03
-
-JOB 241
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1567300000e-01 -7.7995800000e-01 -5.4269400000e-01 -6.7649000000e-02 -3.3708400000e-01  8.9332500000e-01  1.0401270000e+00 -1.8665310000e+00 -2.4146780000e+00  1.2109730000e+00 -2.7704670000e+00 -2.6791430000e+00  1.7808650000e+00 -1.3704460000e+00 -2.7631580000e+00
-ENERGY -1.526600848905e+02
-FORCES  8.1590000000e-04 -5.8582000000e-03 -1.3550000000e-03 -2.3570000000e-03  5.7142000000e-03  6.7354000000e-03  3.0610000000e-04  9.0010000000e-04 -3.2009000000e-03  4.6196000000e-03 -1.5906000000e-03 -4.2715000000e-03 -2.6750000000e-04  4.0473000000e-03  9.6660000000e-04 -3.1172000000e-03 -3.2128000000e-03  1.1254000000e-03
-
-JOB 242
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7831000000e-01  1.5655100000e-01 -6.5697700000e-01 -8.1646900000e-01 -2.3961000000e-02 -4.9903500000e-01 -1.5828760000e+00 -3.2751080000e+00 -6.0728200000e-01 -1.9135960000e+00 -4.1282810000e+00 -3.2629700000e-01 -1.9077040000e+00 -2.6625930000e+00  5.2675000000e-02
-ENERGY -1.526548229719e+02
-FORCES  5.2520000000e-04 -3.0620000000e-04 -6.0112000000e-03 -2.6103000000e-03  2.2370000000e-04  2.8485000000e-03  2.5071000000e-03  8.8900000000e-05  3.2687000000e-03 -1.7570000000e-03 -1.2487000000e-03  4.9130000000e-03  1.4096000000e-03  3.4570000000e-03 -1.1478000000e-03 -7.4600000000e-05 -2.2146000000e-03 -3.8712000000e-03
-
-JOB 243
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9650100000e-01  3.2710000000e-01  5.6931900000e-01 -8.0927900000e-01  2.0899400000e-01  4.6649800000e-01 -9.8235400000e-01 -1.5878480000e+00 -2.1966220000e+00 -1.0450790000e+00 -8.6911200000e-01 -1.5675630000e+00 -4.4823000000e-02 -1.6747820000e+00 -2.3689860000e+00
-ENERGY -1.526571807393e+02
-FORCES  6.4580000000e-04  3.2530000000e-04  2.8833000000e-03 -3.5171000000e-03 -1.5913000000e-03 -1.9076000000e-03  3.3901000000e-03 -1.4818000000e-03 -4.4929000000e-03  8.4096000000e-03  5.5251000000e-03  7.0630000000e-03 -6.1735000000e-03 -1.3960000000e-03 -1.7807000000e-03 -2.7548000000e-03 -1.3814000000e-03 -1.7651000000e-03
-
-JOB 244
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4517800000e-01 -9.1634300000e-01 -2.3552300000e-01  5.1779000000e-02  4.5809400000e-01 -8.3886800000e-01  1.5768450000e+00  1.7336880000e+00  1.1541910000e+00  1.2054330000e+00  1.8407220000e+00  2.0298790000e+00  1.0591490000e+00  1.0328170000e+00  7.5795600000e-01
-ENERGY -1.526580463271e+02
-FORCES  6.9303000000e-03  3.9006000000e-03  3.1749000000e-03 -4.6780000000e-04  5.3265000000e-03 -6.1950000000e-04  1.7742000000e-03 -2.8918000000e-03  6.3286000000e-03 -1.1482100000e-02 -1.3447400000e-02 -3.7337000000e-03  7.3000000000e-04 -8.8270000000e-04 -2.1739000000e-03  2.5154000000e-03  7.9948000000e-03 -2.9763000000e-03
-
-JOB 245
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5281300000e-01  2.4947300000e-01  8.5411900000e-01  9.0436300000e-01  3.1335000000e-01  1.3092000000e-02  7.9440100000e-01 -1.0937560000e+00 -2.9248010000e+00  1.0934460000e+00 -1.3013410000e+00 -3.8100760000e+00  1.4165990000e+00 -4.3860700000e-01 -2.6087610000e+00
-ENERGY -1.526513745899e+02
-FORCES  1.8352000000e-03  1.7735000000e-03  4.0483000000e-03  1.2901000000e-03 -1.3072000000e-03 -3.8786000000e-03 -3.2959000000e-03 -1.1390000000e-03 -1.6575000000e-03  3.2523000000e-03  2.5322000000e-03 -1.5685000000e-03 -1.7329000000e-03  7.1340000000e-04  3.9786000000e-03 -1.3488000000e-03 -2.5729000000e-03 -9.2240000000e-04
-
-JOB 246
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1882200000e-01 -9.7393000000e-02 -4.8608400000e-01  6.7088500000e-01  9.3624000000e-02 -6.7629900000e-01 -1.9130280000e+00  4.2200000000e-04 -1.9432470000e+00 -1.8032140000e+00  7.4742600000e-01 -2.5315990000e+00 -2.8610480000e+00 -9.9502000000e-02 -1.8566200000e+00
-ENERGY -1.526593961918e+02
-FORCES -9.0052000000e-03 -7.5990000000e-04 -1.3028800000e-02  4.1600000000e-03 -4.7630000000e-04  7.2673000000e-03 -1.1433000000e-03  6.9670000000e-04  1.8130000000e-03  2.0638000000e-03  3.4256000000e-03  1.8061000000e-03 -1.1440000000e-03 -4.1882000000e-03  2.4066000000e-03  5.0688000000e-03  1.3020000000e-03 -2.6420000000e-04
-
-JOB 247
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8363200000e-01 -5.8762700000e-01  5.8054000000e-01 -5.0776000000e-02 -4.1700800000e-01 -8.6009200000e-01 -1.6701400000e-01  2.5774070000e+00  1.4184100000e-01  6.5987200000e-01  2.7994300000e+00  5.6985800000e-01 -1.1885500000e-01  1.6315960000e+00  2.7220000000e-03
-ENERGY -1.526584100061e+02
-FORCES -3.4256000000e-03  1.1034700000e-02  1.7585000000e-03  2.9389000000e-03  1.4899000000e-03 -4.4224000000e-03 -5.6020000000e-04  2.2074000000e-03  5.2697000000e-03  2.9767000000e-03 -2.0800900000e-02  5.7200000000e-05 -1.9348000000e-03 -1.4727000000e-03 -8.6080000000e-04  4.9000000000e-06  7.5415000000e-03 -1.8022000000e-03
-
-JOB 248
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3347100000e-01  3.1409700000e-01  8.9429300000e-01  8.5244100000e-01 -4.3479300000e-01  2.3065000000e-02 -1.4876950000e+00 -2.1756290000e+00  1.7595630000e+00 -7.2606300000e-01 -1.8170500000e+00  1.3039650000e+00 -1.3802800000e+00 -3.1246820000e+00  1.6963830000e+00
-ENERGY -1.526557089094e+02
-FORCES  2.8940000000e-03  4.3041000000e-03  2.0175000000e-03  1.0164000000e-03 -4.4518000000e-03 -4.4788000000e-03 -5.8112000000e-03 -2.5130000000e-04  1.1146000000e-03  2.8417000000e-03 -8.6510000000e-04 -5.2005000000e-03 -1.0646000000e-03 -2.6158000000e-03  6.6519000000e-03  1.2370000000e-04  3.8800000000e-03 -1.0480000000e-04
-
-JOB 249
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2021000000e-01 -3.7990500000e-01  6.2228900000e-01 -1.5036600000e-01 -4.8194500000e-01 -8.1323500000e-01 -1.0282550000e+00  1.6574930000e+00  2.9950910000e+00 -1.4112950000e+00  8.8621200000e-01  3.4129880000e+00 -1.0153900000e-01  1.6236370000e+00  3.2323280000e+00
-ENERGY -1.526541646934e+02
-FORCES -4.1431000000e-03 -2.3191000000e-03 -3.6590000000e-04  3.1830000000e-03 -4.8520000000e-04 -2.8194000000e-03  5.2420000000e-04  2.0484000000e-03  3.4312000000e-03  3.3222000000e-03 -1.6275000000e-03  2.9004000000e-03  1.5451000000e-03  2.4461000000e-03 -2.9662000000e-03 -4.4314000000e-03 -6.2800000000e-05 -1.8010000000e-04
-
-JOB 250
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9407000000e-02  7.7915800000e-01  5.5165900000e-01 -5.6000000000e-02 -7.2804000000e-01  6.1891300000e-01 -1.7578000000e-01  1.7165380000e+00  2.1581090000e+00 -2.3777300000e-01  2.6614220000e+00  2.2980460000e+00 -9.4558500000e-01  1.3575580000e+00  2.5994310000e+00
-ENERGY -1.526596597095e+02
-FORCES  6.9270000000e-04  7.1165000000e-03  1.2161500000e-02  5.8900000000e-05 -4.7613000000e-03 -7.1178000000e-03 -9.8840000000e-04  1.5811000000e-03 -1.6225000000e-03 -3.4814000000e-03 -8.6440000000e-04 -9.6900000000e-04 -5.2660000000e-04 -4.9292000000e-03 -5.0270000000e-04  4.2448000000e-03  1.8573000000e-03 -1.9494000000e-03
-
-JOB 251
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1450600000e-01 -4.2961000000e-01  5.9502100000e-01 -2.2342400000e-01 -3.4371600000e-01 -8.6497000000e-01 -1.0324200000e-01 -1.5918950000e+00 -2.2813720000e+00 -7.6584000000e-02 -2.2766140000e+00 -1.6130300000e+00  5.6758000000e-01 -1.8480790000e+00 -2.9143010000e+00
-ENERGY -1.526586372655e+02
-FORCES -2.3921000000e-03 -4.3677000000e-03 -9.4812000000e-03  2.5573000000e-03 -5.2440000000e-04 -3.1464000000e-03 -1.1212000000e-03  1.0769000000e-03  9.5594000000e-03  5.6073000000e-03 -9.9960000000e-04  2.1046000000e-03 -1.2991000000e-03  5.2883000000e-03 -2.2273000000e-03 -3.3522000000e-03 -4.7350000000e-04  3.1908000000e-03
-
-JOB 252
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2501900000e-01 -2.4387500000e-01  3.3106000000e-02  2.3725800000e-01  1.6587400000e-01  9.1237400000e-01 -2.7377720000e+00 -2.1370700000e-01  2.6464000000e-01 -2.9726670000e+00 -8.0144900000e-01  9.8270300000e-01 -3.3011180000e+00 -4.8374800000e-01 -4.6058500000e-01
-ENERGY -1.526598112342e+02
-FORCES -1.4026200000e-02  4.8360000000e-04  3.3288000000e-03  9.9253000000e-03 -1.6049000000e-03 -5.0080000000e-04 -1.1678000000e-03 -1.1063000000e-03 -2.1472000000e-03 -1.6790000000e-04 -1.4899000000e-03 -1.0103000000e-03  2.4685000000e-03  2.9804000000e-03 -4.1261000000e-03  2.9682000000e-03  7.3700000000e-04  4.4556000000e-03
-
-JOB 253
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5375600000e-01  9.3960700000e-01  9.8635000000e-02 -7.1926100000e-01 -1.9001100000e-01  6.0232200000e-01  1.7259200000e-01 -1.3900690000e+00 -2.2834310000e+00  1.3217600000e-01 -2.1399200000e+00 -1.6898630000e+00  2.7532000000e-02 -6.2994200000e-01 -1.7200510000e+00
-ENERGY -1.526577612973e+02
-FORCES -1.5697000000e-03 -2.4038000000e-03 -2.7156000000e-03 -1.7090000000e-03 -5.2421000000e-03 -1.5379000000e-03  4.2290000000e-03  1.0845000000e-03 -2.8549000000e-03 -4.0910000000e-04  6.3493000000e-03  1.6921500000e-02 -6.8500000000e-04  1.7650000000e-04 -2.3325000000e-03  1.4380000000e-04  3.5600000000e-05 -7.4806000000e-03
-
-JOB 254
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3632600000e-01  7.5528000000e-01  3.9421300000e-01 -5.6983800000e-01 -2.5453800000e-01 -7.2575900000e-01 -1.9605050000e+00  8.5980000000e-02 -2.1509910000e+00 -2.0101130000e+00 -5.5397200000e-01 -2.8610850000e+00 -1.8443570000e+00  9.2682600000e-01 -2.5933940000e+00
-ENERGY -1.526606579852e+02
-FORCES -9.5783000000e-03  1.8169000000e-03 -6.3759000000e-03  2.1366000000e-03 -1.4129000000e-03 -8.0350000000e-04  6.9300000000e-03 -1.6575000000e-03  5.8562000000e-03  5.6050000000e-04  2.1446000000e-03 -4.2219000000e-03  9.5730000000e-04  3.4076000000e-03  3.5436000000e-03 -1.0062000000e-03 -4.2986000000e-03  2.0014000000e-03
-
-JOB 255
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3389100000e-01 -7.8632600000e-01  5.2914700000e-01 -7.0971600000e-01 -1.9044000000e-02 -6.4200600000e-01 -4.0274000000e-02 -1.9107150000e+00  2.2502190000e+00 -8.7293800000e-01 -1.6849630000e+00  2.6648730000e+00  6.1499500000e-01 -1.4169970000e+00  2.7432680000e+00
-ENERGY -1.526612569685e+02
-FORCES -1.6392000000e-03 -7.2845000000e-03  3.7201000000e-03 -8.5850000000e-04  8.1168000000e-03 -7.3191000000e-03  1.7559000000e-03 -6.7190000000e-04  3.1116000000e-03  6.6640000000e-04  3.1132000000e-03  6.2193000000e-03  3.9525000000e-03 -6.3940000000e-04 -3.2381000000e-03 -3.8772000000e-03 -2.6340000000e-03 -2.4938000000e-03
-
-JOB 256
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5393600000e-01  4.5210200000e-01 -3.7870400000e-01  4.6400000000e-02  3.2303200000e-01  8.9985000000e-01  1.0494000000e-01  1.5092780000e+00  2.4220310000e+00  9.1902100000e-01  1.7055850000e+00  2.8856770000e+00 -1.2580600000e-01  2.3288730000e+00  1.9847080000e+00
-ENERGY -1.526602693955e+02
-FORCES -1.8032000000e-03  5.6306000000e-03  9.8994000000e-03  2.5846000000e-03 -2.3240000000e-04  1.4446000000e-03 -8.2830000000e-04 -3.9946000000e-03 -9.3162000000e-03  3.3803000000e-03  3.7176000000e-03 -9.9520000000e-04 -4.2618000000e-03 -1.2210000000e-04 -2.3881000000e-03  9.2840000000e-04 -4.9991000000e-03  1.3556000000e-03
-
-JOB 257
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7962200000e-01 -7.4454900000e-01 -5.7412100000e-01  6.5842400000e-01 -6.5945000000e-02  6.9163600000e-01 -1.2963030000e+00 -3.1983160000e+00 -8.6963000000e-01 -2.0774350000e+00 -3.0580670000e+00 -3.3447100000e-01 -1.2494050000e+00 -2.4257970000e+00 -1.4328770000e+00
-ENERGY -1.526551168407e+02
-FORCES  4.5146000000e-03 -4.4971000000e-03  1.8250000000e-03 -2.4108000000e-03  3.8772000000e-03  8.8000000000e-05 -2.6400000000e-03  9.2550000000e-04 -2.7544000000e-03 -5.3485000000e-03  3.6900000000e-03  6.1550000000e-04  3.1770000000e-03 -1.5428000000e-03 -2.5910000000e-03  2.7078000000e-03 -2.4528000000e-03  2.8169000000e-03
-
-JOB 258
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1101000000e-02 -3.0573400000e-01  9.0612900000e-01  6.6802000000e-02  9.5223700000e-01  7.0808000000e-02  9.1488200000e-01  7.7872600000e-01 -2.7533220000e+00 -4.1518000000e-02  7.9392700000e-01 -2.7172620000e+00  1.1914490000e+00  9.1967600000e-01 -1.8478520000e+00
-ENERGY -1.526542416153e+02
-FORCES -5.7680000000e-04  1.0946000000e-03  5.0958000000e-03  1.0340000000e-04  1.6227000000e-03 -4.3755000000e-03  1.7308000000e-03 -4.6303000000e-03 -3.6875000000e-03 -4.0899000000e-03 -4.3174000000e-03  6.9178000000e-03  3.4794000000e-03  2.0286000000e-03 -1.3492000000e-03 -6.4700000000e-04  4.2019000000e-03 -2.6015000000e-03
-
-JOB 259
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4932600000e-01 -2.7785600000e-01 -3.4303400000e-01 -1.3664000000e-02  9.5456100000e-01 -6.9701000000e-02  3.9554200000e-01  2.8005880000e+00 -1.7056400000e-01 -3.8000800000e-01  3.1949140000e+00 -5.6963900000e-01  3.5705200000e-01  3.0708350000e+00  7.4688700000e-01
-ENERGY -1.526600099882e+02
-FORCES  6.1380000000e-04  1.1109900000e-02 -2.4281000000e-03  2.4344000000e-03  2.6079000000e-03  8.4460000000e-04 -4.4456000000e-03 -1.0622100000e-02  2.2115000000e-03 -1.0054000000e-03  3.6165000000e-03  2.0525000000e-03  3.3059000000e-03 -4.1905000000e-03  2.7392000000e-03 -9.0320000000e-04 -2.5216000000e-03 -5.4197000000e-03
-
-JOB 260
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9990000000e-01 -1.5860100000e-01  5.0123700000e-01  1.9088600000e-01  9.2749600000e-01  1.3980500000e-01 -1.2044990000e+00  1.3681960000e+00 -2.8953050000e+00 -2.4930700000e-01  1.4301620000e+00 -2.8960640000e+00 -1.5031370000e+00  2.2662620000e+00 -2.7520390000e+00
-ENERGY -1.526531344119e+02
-FORCES -4.8692000000e-03  3.1461000000e-03  1.1962000000e-03  3.7157000000e-03  5.4570000000e-04 -9.5530000000e-04  1.7500000000e-04 -3.2901000000e-03 -8.0920000000e-04  3.7019000000e-03  2.0586000000e-03  8.5700000000e-04 -3.9975000000e-03  1.3192000000e-03 -6.1680000000e-04  1.2741000000e-03 -3.7795000000e-03  3.2820000000e-04
-
-JOB 261
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5301900000e-01 -8.7988000000e-02 -1.5615000000e-02 -2.4537300000e-01  1.1596700000e-01 -9.1791900000e-01 -1.3642780000e+00  4.9361800000e-01 -2.1176990000e+00 -2.1074610000e+00  1.7354900000e-01 -1.6063610000e+00 -1.2236740000e+00 -1.7928000000e-01 -2.7837860000e+00
-ENERGY -1.526570033292e+02
-FORCES -8.8632000000e-03  5.8456000000e-03 -1.7131000000e-02 -3.4594000000e-03  4.5780000000e-04 -3.5249000000e-03  3.9601000000e-03 -6.2204000000e-03  7.9929000000e-03  6.3140000000e-04 -3.8501000000e-03  9.7999000000e-03  6.0519000000e-03  8.8480000000e-04 -3.2599000000e-03  1.6791000000e-03  2.8822000000e-03  6.1229000000e-03
-
-JOB 262
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0906400000e-01  7.3828800000e-01  1.4245000000e-02  1.0892900000e-01 -4.1749600000e-01  8.5443700000e-01 -1.1214160000e+00  1.6567290000e+00 -2.8356720000e+00 -1.1357560000e+00  2.0677370000e+00 -1.9713230000e+00 -3.5631400000e-01  2.0352740000e+00 -3.2687480000e+00
-ENERGY -1.526529615607e+02
-FORCES  3.5143000000e-03  8.2500000000e-05  3.5620000000e-03 -3.3576000000e-03 -2.0686000000e-03 -2.9860000000e-04 -5.2620000000e-04  1.7806000000e-03 -3.9374000000e-03  2.4838000000e-03  1.6311000000e-03  2.8289000000e-03  7.1520000000e-04  4.6200000000e-05 -4.2518000000e-03 -2.8295000000e-03 -1.4718000000e-03  2.0968000000e-03
-
-JOB 263
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6620500000e-01 -1.0208500000e-01  6.7969200000e-01  8.1273000000e-02 -8.7076600000e-01 -3.8909300000e-01  3.1670910000e+00  1.1712290000e+00 -7.2259800000e-01  3.2846390000e+00  1.8797620000e+00 -1.3553670000e+00  2.4177530000e+00  1.4441180000e+00 -1.9320600000e-01
-ENERGY -1.526574102048e+02
-FORCES -2.4640000000e-03 -5.5651000000e-03  3.5820000000e-04  2.9369000000e-03  5.1710000000e-04 -2.8517000000e-03 -1.5772000000e-03  3.5039000000e-03  2.0614000000e-03 -4.6824000000e-03  3.2305000000e-03  2.2350000000e-04 -3.4440000000e-04 -2.6519000000e-03  2.3022000000e-03  6.1312000000e-03  9.6550000000e-04 -2.0936000000e-03
-
-JOB 264
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9124100000e-01  4.0814300000e-01 -7.1297500000e-01  2.9686000000e-02 -9.3692700000e-01 -1.9369800000e-01  2.9014900000e+00 -1.4186030000e+00 -1.0907730000e+00  3.7052600000e+00 -1.4543670000e+00 -1.6093360000e+00  2.9276870000e+00 -5.6105500000e-01 -6.6632400000e-01
-ENERGY -1.526566912906e+02
-FORCES  1.4651000000e-03 -4.0844000000e-03 -4.9336000000e-03 -6.4990000000e-04 -2.5740000000e-04  3.9612000000e-03 -1.5343000000e-03  4.6186000000e-03  1.7844000000e-03  5.0341000000e-03  2.4748000000e-03  4.7320000000e-04 -3.4920000000e-03  5.6040000000e-04  2.3518000000e-03 -8.2300000000e-04 -3.3120000000e-03 -3.6369000000e-03
-
-JOB 265
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8496000000e-02  9.0062400000e-01 -3.1455800000e-01 -2.2592000000e-02 -5.3430700000e-01 -7.9387500000e-01  9.4808000000e-02  1.4968220000e+00 -2.6920720000e+00  9.5934300000e-01  1.1697750000e+00 -2.9407720000e+00  2.2723400000e-01  2.4322410000e+00 -2.5381680000e+00
-ENERGY -1.526575818215e+02
-FORCES -1.8545000000e-03  3.6324000000e-03 -9.7718000000e-03  1.0084000000e-03 -1.2187000000e-03  5.6581000000e-03  1.4145000000e-03 -1.0019000000e-03  3.7223000000e-03  4.5695000000e-03  2.5608000000e-03 -2.2236000000e-03 -4.4796000000e-03  9.4670000000e-04  1.7041000000e-03 -6.5830000000e-04 -4.9193000000e-03  9.1080000000e-04
-
-JOB 266
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3312000000e-02 -5.8223100000e-01  7.5903100000e-01  1.2285200000e-01  8.7314100000e-01  3.7251000000e-01  1.2110500000e-01  2.5853170000e+00 -1.3254200000e-01  9.3994800000e-01  3.0015340000e+00 -4.0178300000e-01 -7.9550000000e-03  2.8721220000e+00  7.7151500000e-01
-ENERGY -1.526536984501e+02
-FORCES  9.9210000000e-04  1.5099200000e-02 -2.0874000000e-03  2.7020000000e-04  5.6919000000e-03 -1.3854000000e-03 -9.0640000000e-04 -6.7987000000e-03  7.0689000000e-03  2.4635000000e-03 -4.6392000000e-03 -1.5401000000e-03 -4.6552000000e-03 -1.8641000000e-03  2.1982000000e-03  1.8358000000e-03 -7.4891000000e-03 -4.2542000000e-03
-
-JOB 267
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8755600000e-01  7.9947600000e-01  4.4088800000e-01  1.1427500000e-01 -6.3577500000e-01  7.0637300000e-01 -3.1541250000e+00  1.2820630000e+00  5.5161100000e-01 -2.3735510000e+00  1.6211220000e+00  1.1346100000e-01 -3.0503230000e+00  3.3088600000e-01  5.2476200000e-01
-ENERGY -1.526546871373e+02
-FORCES  1.4409000000e-03  1.7540000000e-04  6.0065000000e-03 -1.3209000000e-03 -2.7151000000e-03 -3.9420000000e-03 -9.4090000000e-04  2.5921000000e-03 -3.4915000000e-03  2.9060000000e-03 -3.9770000000e-03 -4.4384000000e-03 -8.9570000000e-04 -3.3720000000e-04  4.1231000000e-03 -1.1893000000e-03  4.2617000000e-03  1.7423000000e-03
-
-JOB 268
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3585000000e-02  9.5689700000e-01 -1.9892000000e-02 -2.1358700000e-01 -2.6171300000e-01 -8.9561100000e-01 -1.7666340000e+00 -2.1592220000e+00  1.3444730000e+00 -1.6899900000e+00 -1.3341640000e+00  8.6526900000e-01 -1.3746700000e+00 -1.9779050000e+00  2.1987100000e+00
-ENERGY -1.526584448409e+02
-FORCES  2.3232000000e-03  2.8540000000e-03 -4.9629000000e-03 -3.6070000000e-04 -4.8177000000e-03  3.2130000000e-04 -5.7810000000e-04  1.6045000000e-03  5.1914000000e-03  6.0976000000e-03  7.2185000000e-03  4.9880000000e-04 -5.1884000000e-03 -5.3900000000e-03  8.1430000000e-04 -2.2935000000e-03 -1.4693000000e-03 -1.8630000000e-03
-
-JOB 269
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2203500000e-01 -1.4087000000e-01 -4.6973000000e-01  2.3090700000e-01  5.9250400000e-01  7.1543900000e-01  1.3452600000e-01  1.8635860000e+00  2.2453200000e+00  7.7763300000e-01  1.3642390000e+00  2.7486060000e+00  3.1076000000e-01  2.7771700000e+00  2.4701270000e+00
-ENERGY -1.526591810333e+02
-FORCES  1.8338000000e-03  6.6796000000e-03  4.2743000000e-03 -2.3546000000e-03  9.7420000000e-04  2.4947000000e-03  2.3953000000e-03 -8.8828000000e-03 -4.4776000000e-03  1.1500000000e-03  4.0399000000e-03  2.9334000000e-03 -2.6871000000e-03  1.8652000000e-03 -5.5798000000e-03 -3.3750000000e-04 -4.6760000000e-03  3.5510000000e-04
-
-JOB 270
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5581000000e-02 -4.6681300000e-01 -8.3222900000e-01 -7.7027000000e-02  9.2136000000e-01 -2.4777900000e-01  3.0292760000e+00 -3.4136500000e-01 -1.2005480000e+00  2.1294860000e+00 -1.8436600000e-01 -1.4868340000e+00  3.0759210000e+00  5.1872000000e-02 -3.2910000000e-01
-ENERGY -1.526535578786e+02
-FORCES -2.7550000000e-03  9.1360000000e-04 -3.5091000000e-03  3.0164000000e-03  3.7271000000e-03  2.8042000000e-03  2.0371000000e-03 -4.7515000000e-03  8.0430000000e-04 -5.1315000000e-03  2.3778000000e-03  5.8462000000e-03  8.4740000000e-04 -1.3615000000e-03 -1.7561000000e-03  1.9855000000e-03 -9.0540000000e-04 -4.1895000000e-03
-
-JOB 271
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3367000000e-02  4.7660000000e-03 -9.5569900000e-01 -5.2321300000e-01 -7.7428200000e-01  2.0728700000e-01  1.1657640000e+00  1.0585640000e+00 -2.3837980000e+00  2.4294600000e-01  1.1967300000e+00 -2.1703750000e+00  1.6416730000e+00  1.5942690000e+00 -1.7491630000e+00
-ENERGY -1.526533979151e+02
-FORCES  2.8349000000e-03 -3.1018000000e-03 -5.3312000000e-03 -6.5701000000e-03  6.5593000000e-03  1.3426000000e-03  2.3890000000e-03  3.0982000000e-03 -2.2765000000e-03  2.1850000000e-04  5.3385000000e-03  6.9984000000e-03  3.0511000000e-03 -9.6590000000e-03  3.7368000000e-03 -1.9234000000e-03 -2.2352000000e-03 -4.4701000000e-03
-
-JOB 272
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9953600000e-01 -3.8703000000e-01 -3.5662600000e-01  7.0963700000e-01 -4.9322000000e-01 -4.1156000000e-01 -2.6235950000e+00 -1.6486900000e-01  1.4175280000e+00 -3.4352060000e+00  2.4380400000e-01  1.7183700000e+00 -1.9291250000e+00  3.4681600000e-01  1.8324050000e+00
-ENERGY -1.526597171409e+02
-FORCES -2.3409000000e-03 -3.9808000000e-03 -2.9296000000e-03  6.6187000000e-03  1.7915000000e-03 -2.8270000000e-04 -3.2379000000e-03  1.5648000000e-03  1.2627000000e-03  1.1681000000e-03  3.9877000000e-03  3.7101000000e-03  3.6459000000e-03 -1.3263000000e-03 -9.1780000000e-04 -5.8539000000e-03 -2.0369000000e-03 -8.4280000000e-04
-
-JOB 273
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1041500000e-01 -8.6706300000e-01 -3.4664100000e-01  9.1666800000e-01 -6.4624000000e-02  2.6791000000e-01 -1.7723860000e+00 -1.9856250000e+00 -8.6675600000e-01 -2.5744360000e+00 -1.6979390000e+00 -4.3065300000e-01 -1.8205940000e+00 -2.9414900000e+00 -8.5160400000e-01
-ENERGY -1.526604850771e+02
-FORCES -3.3057000000e-03 -7.4329000000e-03 -3.1069000000e-03  7.1791000000e-03  6.5534000000e-03  3.3926000000e-03 -3.4168000000e-03 -1.5170000000e-03 -1.3015000000e-03 -3.9643000000e-03  1.0769000000e-03  3.0885000000e-03  3.0737000000e-03 -3.2541000000e-03 -2.5819000000e-03  4.3390000000e-04  4.5736000000e-03  5.0910000000e-04
-
-JOB 274
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6735000000e-02  5.2755000000e-01  7.9397700000e-01  5.2839000000e-01  5.3831700000e-01 -5.8928000000e-01  1.4891830000e+00  1.7086140000e+00 -1.5208020000e+00  2.4298470000e+00  1.5851150000e+00 -1.3937920000e+00  1.2825510000e+00  2.5023370000e+00 -1.0273040000e+00
-ENERGY -1.526588870492e+02
-FORCES  8.6913000000e-03  1.0395800000e-02 -8.1290000000e-03  9.7020000000e-04 -1.8770000000e-04 -2.9304000000e-03 -5.6632000000e-03 -4.9391000000e-03  7.6237000000e-03  9.2620000000e-04 -1.0070000000e-04  3.8647000000e-03 -5.6177000000e-03  1.0885000000e-03  2.8690000000e-04  6.9310000000e-04 -6.2568000000e-03 -7.1580000000e-04
-
-JOB 275
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5380900000e-01 -3.8573700000e-01 -5.8307200000e-01  1.9293100000e-01 -3.7581500000e-01  8.5893700000e-01  3.3112000000e-01 -1.6890750000e+00  2.1961890000e+00  1.0409100000e-01 -2.4184770000e+00  1.6194200000e+00  1.6548200000e-01 -2.0204840000e+00  3.0787790000e+00
-ENERGY -1.526598727274e+02
-FORCES  3.9457000000e-03 -4.6134000000e-03  8.5349000000e-03 -2.6118000000e-03 -2.0260000000e-04  2.1547000000e-03 -1.0118000000e-03  1.8426000000e-03 -8.6612000000e-03 -2.8354000000e-03 -9.2890000000e-04 -7.8200000000e-05  2.0175000000e-03  4.3052000000e-03  2.7763000000e-03  4.9570000000e-04 -4.0290000000e-04 -4.7265000000e-03
-
-JOB 276
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8508400000e-01 -4.3329700000e-01  5.0906400000e-01 -4.4748700000e-01  3.1502000000e-01 -7.8533400000e-01 -1.7445490000e+00  2.2336520000e+00  1.2128250000e+00 -1.5657880000e+00  1.7845220000e+00  2.0389950000e+00 -9.0005000000e-01  2.2531170000e+00  7.6263100000e-01
-ENERGY -1.526570877676e+02
-FORCES -7.7046000000e-03 -1.1687000000e-03 -1.2693000000e-03  3.9120000000e-03  1.3632000000e-03 -1.0440000000e-03  3.1331000000e-03 -1.5100000000e-05  3.5062000000e-03  7.8736000000e-03 -3.4928000000e-03  1.3036000000e-03 -2.0041000000e-03  9.2820000000e-04 -2.8581000000e-03 -5.2101000000e-03  2.3852000000e-03  3.6150000000e-04
-
-JOB 277
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9996000000e-02 -3.9292300000e-01  8.7191900000e-01 -6.8247300000e-01 -4.5029800000e-01 -4.9768900000e-01 -2.9574060000e+00  1.1424910000e+00 -5.8359500000e-01 -2.1991730000e+00  1.1042190000e+00 -1.1665620000e+00 -2.7729460000e+00  1.8767210000e+00  2.1640000000e-03
-ENERGY -1.526558736644e+02
-FORCES -4.9016000000e-03 -4.4517000000e-03  3.3968000000e-03  1.0136000000e-03  1.5943000000e-03 -3.4212000000e-03  3.3359000000e-03  3.7133000000e-03 -4.3790000000e-04  6.3848000000e-03  4.7105000000e-03  1.5166000000e-03 -3.4923000000e-03 -3.0655000000e-03  1.2071000000e-03 -2.3405000000e-03 -2.5008000000e-03 -2.2614000000e-03
-
-JOB 278
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2515200000e-01 -5.4927000000e-02  2.3939200000e-01  1.4140700000e-01  9.2515000000e-01 -2.0083200000e-01  4.2611600000e-01 -1.8556910000e+00 -2.0905970000e+00  4.5022500000e-01 -2.7570750000e+00 -1.7694170000e+00  2.5237200000e-01 -1.3277970000e+00 -1.3112550000e+00
-ENERGY -1.526613954787e+02
-FORCES -1.3781000000e-03  3.9679000000e-03 -2.0842000000e-03  4.9942000000e-03 -4.3160000000e-04 -2.1109000000e-03 -1.8499000000e-03 -4.2166000000e-03  1.9892000000e-03 -2.8790000000e-04  5.7783000000e-03  9.5096000000e-03 -7.8770000000e-04  3.3272000000e-03  1.2770000000e-04 -6.9050000000e-04 -8.4252000000e-03 -7.4314000000e-03
-
-JOB 279
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5505900000e-01  4.0313100000e-01  7.9224400000e-01 -7.4612700000e-01  5.5119200000e-01 -2.3603800000e-01  4.4348000000e-02  2.1687800000e+00  1.8964370000e+00  1.3866300000e-01  2.6726680000e+00  1.0880840000e+00 -5.5194900000e-01  2.6887890000e+00  2.4351880000e+00
-ENERGY -1.526579792013e+02
-FORCES -3.1593000000e-03  6.7428000000e-03  8.4633000000e-03  2.0023000000e-03 -2.8845000000e-03 -6.2309000000e-03  2.3539000000e-03 -8.8710000000e-04 -1.4542000000e-03 -2.1384000000e-03  2.7376000000e-03 -5.8740000000e-04 -1.5263000000e-03 -4.1809000000e-03  3.4361000000e-03  2.4678000000e-03 -1.5278000000e-03 -3.6269000000e-03
-
-JOB 280
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7797100000e-01  5.4120200000e-01  1.3451000000e-01 -3.5160400000e-01  2.9016100000e-01 -8.4167300000e-01  1.6830390000e+00  1.9072210000e+00  1.1645480000e+00  2.5869920000e+00  1.7479150000e+00  1.4360660000e+00  1.1817390000e+00  1.8943020000e+00  1.9798780000e+00
-ENERGY -1.526613527379e+02
-FORCES  6.9727000000e-03  8.6621000000e-03  1.2584000000e-03 -5.7828000000e-03 -7.6556000000e-03 -3.7744000000e-03  1.6495000000e-03 -2.5680000000e-04  2.7569000000e-03 -1.9064000000e-03 -1.0103000000e-03  4.9009000000e-03 -4.9166000000e-03 -5.5200000000e-05 -1.3000000000e-03  3.9836000000e-03  3.1570000000e-04 -3.8418000000e-03
-
-JOB 281
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9514000000e-02 -9.5024600000e-01 -1.1132600000e-01  2.8799200000e-01  1.2689200000e-01  9.0398600000e-01  1.2770650000e+00  1.8905300000e-01  2.9169930000e+00  5.4347700000e-01 -4.2575300000e-01  2.9072770000e+00  8.6578400000e-01  1.0533850000e+00  2.9200260000e+00
-ENERGY -1.526554710075e+02
-FORCES  5.0385000000e-03 -3.1560000000e-03  4.2809000000e-03 -5.0190000000e-04  3.5987000000e-03  1.0842000000e-03 -6.8849000000e-03 -3.1780000000e-04 -3.0649000000e-03 -3.1246000000e-03  1.7372000000e-03  4.9438000000e-03  3.7797000000e-03  3.7954000000e-03 -4.7382000000e-03  1.6932000000e-03 -5.6575000000e-03 -2.5057000000e-03
-
-JOB 282
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5546500000e-01  5.3834000000e-02  2.0486000000e-02 -2.9305300000e-01  7.2309300000e-01  5.5451500000e-01 -1.8943120000e+00  1.4339950000e+00  1.5674320000e+00 -2.1052490000e+00  2.3567380000e+00  1.7098480000e+00 -2.0048490000e+00  1.0271450000e+00  2.4267840000e+00
-ENERGY -1.526599370619e+02
-FORCES -3.6320000000e-03  5.5635000000e-03  4.4473000000e-03 -3.7903000000e-03  7.9390000000e-04  9.8330000000e-04  8.0385000000e-03 -4.7717000000e-03 -4.6325000000e-03 -2.9085000000e-03 -2.3100000000e-05  3.3910000000e-03  1.5090000000e-03 -4.6356000000e-03 -2.9930000000e-04  7.8340000000e-04  3.0730000000e-03 -3.8898000000e-03
-
-JOB 283
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5145200000e-01 -7.5278700000e-01  2.1317800000e-01 -2.5755700000e-01  6.7242200000e-01  6.3067000000e-01 -1.4177570000e+00  8.3366200000e-01 -2.1473230000e+00 -1.9028140000e+00  1.5937420000e+00 -1.8260280000e+00 -1.0091250000e+00  4.6180000000e-01 -1.3656770000e+00
-ENERGY -1.526567721046e+02
-FORCES -2.6543000000e-03  1.6850000000e-03  5.9130000000e-04  1.1136000000e-03  6.7149000000e-03 -4.2369000000e-03 -6.7460000000e-04 -3.4472000000e-03 -5.5487000000e-03  9.6662000000e-03 -3.1202000000e-03  1.3496400000e-02  2.2003000000e-03 -2.6381000000e-03  8.4180000000e-04 -9.6512000000e-03  8.0560000000e-04 -5.1439000000e-03
-
-JOB 284
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2361600000e-01  2.3289500000e-01 -8.2616100000e-01 -4.4429100000e-01 -8.2783000000e-01 -1.8312500000e-01  1.3086540000e+00  1.3243820000e+00 -1.9402780000e+00  2.2553340000e+00  1.4658500000e+00 -1.9362750000e+00  1.0899470000e+00  1.1902280000e+00 -2.8624500000e+00
-ENERGY -1.526592108179e+02
-FORCES  6.4841000000e-03  5.8379000000e-03 -9.7930000000e-03 -6.0602000000e-03 -6.8522000000e-03  5.2417000000e-03  2.1527000000e-03  3.2279000000e-03 -1.7380000000e-03  1.1781000000e-03 -1.0761000000e-03  2.5069000000e-03 -4.9546000000e-03 -4.1460000000e-04 -1.6402000000e-03  1.2000000000e-03 -7.2300000000e-04  5.4226000000e-03
-
-JOB 285
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0165100000e-01 -1.5374100000e-01 -9.3928800000e-01 -2.7401600000e-01  9.1482200000e-01  6.5172000000e-02  1.0816490000e+00  2.0959090000e+00  2.8309920000e+00  1.6131000000e+00  2.5946410000e+00  3.4515220000e+00  1.6341060000e+00  2.0138080000e+00  2.0536350000e+00
-ENERGY -1.526548509064e+02
-FORCES -2.3806000000e-03  2.7293000000e-03 -3.1931000000e-03 -1.5890000000e-04  7.3640000000e-04  4.0763000000e-03  2.4359000000e-03 -3.9381000000e-03 -1.2998000000e-03  5.0958000000e-03  5.7060000000e-04 -5.0700000000e-05 -2.1092000000e-03 -2.1119000000e-03 -2.5922000000e-03 -2.8830000000e-03  2.0136000000e-03  3.0594000000e-03
-
-JOB 286
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2931700000e-01 -4.6589900000e-01 -6.4729700000e-01  1.9825000000e-02  9.1320000000e-01 -2.8619000000e-01  1.3092780000e+00 -1.8019180000e+00 -1.4591930000e+00  1.4063730000e+00 -1.3805210000e+00 -2.3131420000e+00  1.6608480000e+00 -2.6832640000e+00 -1.5851320000e+00
-ENERGY -1.526558236332e+02
-FORCES  6.5813000000e-03 -8.9005000000e-03 -5.4010000000e-03 -2.5045000000e-03  8.2322000000e-03 -2.2499000000e-03  1.2593000000e-03 -4.2492000000e-03 -1.3088000000e-03 -2.6724000000e-03  4.1400000000e-04  4.2473000000e-03 -1.5443000000e-03  9.8500000000e-05  6.5401000000e-03 -1.1195000000e-03  4.4051000000e-03 -1.8278000000e-03
-
-JOB 287
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7266300000e-01  6.5713000000e-02  9.3920200000e-01 -2.6014000000e-02 -9.4089800000e-01 -1.7397200000e-01 -3.1737750000e+00 -9.8359800000e-01 -7.7682400000e-01 -3.3078470000e+00 -1.4841250000e+00  2.7993000000e-02 -3.1446560000e+00 -7.0913000000e-02 -4.8978600000e-01
-ENERGY -1.526552777641e+02
-FORCES  5.7020000000e-04 -4.8564000000e-03  1.4530000000e-03 -1.6555000000e-03 -2.2590000000e-04 -3.7399000000e-03  1.6451000000e-03  3.9982000000e-03  2.0073000000e-03  7.4890000000e-04  3.7949000000e-03  4.4505000000e-03  1.1326000000e-03  1.4480000000e-03 -3.1402000000e-03 -2.4414000000e-03 -4.1588000000e-03 -1.0307000000e-03
-
-JOB 288
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3886900000e-01 -3.5965600000e-01  6.1540700000e-01 -8.5941000000e-02  9.4888000000e-01  9.2052000000e-02 -1.6728100000e-01 -1.6798040000e+00 -2.4272700000e+00 -9.9774000000e-01 -1.6126230000e+00 -2.8984990000e+00 -1.6017600000e-01 -9.2079500000e-01 -1.8441010000e+00
-ENERGY -1.526605741217e+02
-FORCES -2.0960000000e-03  1.0483000000e-03  5.1506000000e-03  2.7001000000e-03  2.8924000000e-03 -3.0840000000e-03 -3.0940000000e-04 -4.8840000000e-03 -8.2160000000e-04 -1.1554000000e-03  6.0567000000e-03  5.3456000000e-03  2.4671000000e-03  2.4030000000e-04  2.3321000000e-03 -1.6065000000e-03 -5.3538000000e-03 -8.9226000000e-03
-
-JOB 289
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0518900000e-01 -2.1549700000e-01 -6.1032900000e-01  8.0993000000e-02  9.4392300000e-01  1.3667800000e-01 -2.9167260000e+00  1.1988290000e+00 -2.7168600000e-01 -2.0322650000e+00  1.1971310000e+00 -6.3768800000e-01 -2.8704160000e+00  5.9631900000e-01  4.7065400000e-01
-ENERGY -1.526567699353e+02
-FORCES  5.6885000000e-03  1.1864000000e-03 -9.1690000000e-04 -3.3868000000e-03  1.5406000000e-03  2.8045000000e-03 -3.4164000000e-03 -4.4993000000e-03 -2.5279000000e-03  5.7189000000e-03 -6.6501000000e-03  1.2425000000e-03 -2.6885000000e-03  4.8438000000e-03  1.1730000000e-03 -1.9156000000e-03  3.5787000000e-03 -1.7752000000e-03
-
-JOB 290
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8640100000e-01  3.8248500000e-01  5.4661800000e-01 -6.3425000000e-02  4.7211800000e-01 -8.3024900000e-01 -1.8717300000e-01  1.8769370000e+00 -2.4387610000e+00 -9.9622600000e-01  1.9180660000e+00 -2.9486360000e+00  5.1085500000e-01  1.9239020000e+00 -3.0920470000e+00
-ENERGY -1.526612366944e+02
-FORCES -2.4146000000e-03  6.7448000000e-03 -4.7637000000e-03  1.7963000000e-03 -1.5697000000e-03 -1.5903000000e-03  3.9790000000e-04 -6.6380000000e-03  7.3227000000e-03  1.8040000000e-04  1.7458000000e-03 -5.8913000000e-03  3.9995000000e-03 -1.5950000000e-04  2.3776000000e-03 -3.9595000000e-03 -1.2340000000e-04  2.5451000000e-03
-
-JOB 291
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9365100000e-01  3.6082000000e-02 -9.1032900000e-01  4.6378300000e-01 -7.5006000000e-01  3.7222000000e-01  1.4062620000e+00 -2.1821290000e+00  1.4165930000e+00  1.5668070000e+00 -3.0709420000e+00  1.0996250000e+00  2.2269210000e+00 -1.9254110000e+00  1.8371250000e+00
-ENERGY -1.526615047168e+02
-FORCES  4.9211000000e-03 -7.1509000000e-03  1.8257000000e-03 -5.7450000000e-04 -5.9060000000e-04  2.9217000000e-03 -4.4368000000e-03  8.1212000000e-03 -5.3524000000e-03  3.6621000000e-03 -2.7229000000e-03  1.5415000000e-03  1.2290000000e-04  4.4380000000e-03  1.5927000000e-03 -3.6948000000e-03 -2.0948000000e-03 -2.5292000000e-03
-
-JOB 292
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7344800000e-01  8.2357100000e-01  3.1384600000e-01 -3.3838500000e-01 -6.6208300000e-01  6.0280400000e-01  1.0634430000e+00 -3.0977290000e+00  1.0367460000e+00  1.2584120000e+00 -3.8737090000e+00  1.5621720000e+00  1.1638440000e+00 -2.3650050000e+00  1.6444200000e+00
-ENERGY -1.526543565804e+02
-FORCES -3.9638000000e-03 -1.7130000000e-04  2.2104000000e-03  1.7954000000e-03 -3.6479000000e-03 -1.1642000000e-03  2.6573000000e-03  4.4922000000e-03 -5.9050000000e-04  3.2385000000e-03 -1.0924000000e-03  4.3481000000e-03 -6.5760000000e-04  3.4564000000e-03 -2.3276000000e-03 -3.0697000000e-03 -3.0369000000e-03 -2.4762000000e-03
-
-JOB 293
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7789800000e-01 -2.7744000000e-02 -5.5708000000e-01  1.9640100000e-01  6.7159300000e-01  6.5316200000e-01 -1.4657860000e+00  2.6857560000e+00 -3.8776000000e-01 -1.9111400000e+00  2.8938510000e+00 -1.2090930000e+00 -1.8890730000e+00  3.2454410000e+00  2.6324900000e-01
-ENERGY -1.526534443357e+02
-FORCES  1.5880000000e-03  7.0476000000e-03 -1.9550000000e-04 -2.9236000000e-03 -2.8110000000e-04  1.7585000000e-03  1.1173000000e-03 -4.6716000000e-03 -3.7350000000e-04 -4.3042000000e-03  1.0587000000e-03 -2.5201000000e-03  1.9162000000e-03 -1.0400000000e-04  3.5032000000e-03  2.6063000000e-03 -3.0496000000e-03 -2.1725000000e-03
-
-JOB 294
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2731500000e-01 -7.0405200000e-01 -1.6437300000e-01  2.7217900000e-01 -1.2837900000e-01  9.0866300000e-01  3.6676100000e-01  2.8491790000e+00 -3.8988900000e-01  3.2158400000e-01  1.8991630000e+00 -2.8191100000e-01  2.7998000000e-01  3.1960280000e+00  4.9802800000e-01
-ENERGY -1.526599052043e+02
-FORCES -3.0095000000e-03 -2.6856000000e-03  5.1310000000e-04  3.5395000000e-03  2.0662000000e-03  2.3187000000e-03 -1.8134000000e-03  2.1786000000e-03 -4.5192000000e-03 -2.4793000000e-03 -8.8560000000e-03  2.4948000000e-03  3.2615000000e-03  9.1933000000e-03  1.4803000000e-03  5.0120000000e-04 -1.8966000000e-03 -2.2877000000e-03
-
-JOB 295
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3594500000e-01  5.7954000000e-01  7.4959000000e-01  6.5319300000e-01  2.7985800000e-01 -6.4128800000e-01 -2.9522550000e+00 -1.8833420000e+00 -7.9337900000e-01 -3.1618760000e+00 -2.3303330000e+00  2.6677000000e-02 -3.7973320000e+00 -1.7722520000e+00 -1.2289650000e+00
-ENERGY -1.526521553002e+02
-FORCES  2.8050000000e-03  3.4312000000e-03 -3.7920000000e-04 -7.8810000000e-04 -2.6542000000e-03 -2.8913000000e-03 -2.5749000000e-03 -1.0648000000e-03  2.7751000000e-03 -3.5338000000e-03 -1.0059000000e-03  2.3513000000e-03  3.9820000000e-04  1.5792000000e-03 -3.4456000000e-03  3.6935000000e-03 -2.8550000000e-04  1.5896000000e-03
-
-JOB 296
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3598600000e-01 -5.2787800000e-01 -5.9185700000e-01 -3.2175700000e-01  8.9379000000e-01 -1.1766200000e-01  1.8002020000e+00  3.3325080000e+00 -9.4825600000e-01  2.6752360000e+00  3.5921610000e+00 -6.5993700000e-01  1.3566930000e+00  3.0530990000e+00 -1.4734200000e-01
-ENERGY -1.526539701126e+02
-FORCES -3.5811000000e-03  1.0210000000e-03 -4.4629000000e-03  2.0275000000e-03  1.9016000000e-03  2.7497000000e-03  1.9208000000e-03 -2.7457000000e-03  1.9908000000e-03  3.2518000000e-03 -6.8890000000e-04  4.7734000000e-03 -3.6271000000e-03 -6.3650000000e-04 -1.3224000000e-03  8.1000000000e-06  1.1486000000e-03 -3.7286000000e-03
-
-JOB 297
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1305200000e-01  1.2636000000e-01 -8.9569100000e-01  5.0578800000e-01 -7.4335700000e-01  3.2837600000e-01 -8.4335800000e-01  1.3876850000e+00  2.9278090000e+00 -9.4499900000e-01  4.5137200000e-01  2.7568770000e+00 -1.1822200000e+00  1.8135610000e+00  2.1403860000e+00
-ENERGY -1.526563418394e+02
-FORCES  4.6328000000e-03 -2.2845000000e-03 -2.7555000000e-03 -1.2419000000e-03 -5.3230000000e-04  3.8390000000e-03 -2.9083000000e-03  2.8240000000e-03 -1.1382000000e-03 -8.8180000000e-04 -2.7799000000e-03 -7.5162000000e-03  4.3680000000e-04  2.4495000000e-03  2.8788000000e-03 -3.7600000000e-05  3.2320000000e-04  4.6921000000e-03
-
-JOB 298
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4258200000e-01  2.0357000000e-02 -1.6539800000e-01 -3.8110900000e-01  5.0054600000e-01 -7.2141700000e-01 -1.6793480000e+00 -1.9005760000e+00 -1.7681220000e+00 -8.0858700000e-01 -1.6977420000e+00 -1.4262670000e+00 -2.2726770000e+00 -1.3536170000e+00 -1.2533110000e+00
-ENERGY -1.526575729017e+02
-FORCES  2.8000000000e-03  4.8285000000e-03 -1.8899000000e-03 -4.9639000000e-03 -1.0951000000e-03 -1.0940000000e-04  1.0360000000e-03 -4.6626000000e-03  3.2834000000e-03  2.8685000000e-03  3.3821000000e-03  8.2954000000e-03 -2.8142000000e-03 -1.6053000000e-03 -6.0212000000e-03  1.0737000000e-03 -8.4770000000e-04 -3.5583000000e-03
-
-JOB 299
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1391500000e-01 -4.1518900000e-01  8.3551800000e-01  4.5680000000e-03  9.3769500000e-01  1.9219500000e-01 -2.1877100000e-01  2.0232890000e+00  2.3093110000e+00 -1.0269300000e+00  1.6516220000e+00  2.6628270000e+00 -3.3562400000e-01  2.9700830000e+00  2.3877820000e+00
-ENERGY -1.526581338011e+02
-FORCES  5.1600000000e-04  5.4718000000e-03  8.1341000000e-03 -7.4440000000e-04 -4.8110000000e-04 -2.9248000000e-03 -5.3530000000e-04 -4.1790000000e-03 -5.6323000000e-03 -3.6629000000e-03  2.8773000000e-03  3.6425000000e-03  4.1425000000e-03  8.8360000000e-04 -2.3765000000e-03  2.8410000000e-04 -4.5727000000e-03 -8.4300000000e-04
-
-JOB 300
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7673200000e-01  9.3932900000e-01  5.1566000000e-02 -1.0038000000e-01 -2.7568500000e-01  9.1112800000e-01 -2.9737000000e-02 -1.7611980000e+00  2.0052070000e+00 -7.9103800000e-01 -1.6691380000e+00  2.5780760000e+00 -2.8301900000e-01 -2.4367820000e+00  1.3761870000e+00
-ENERGY -1.526590391305e+02
-FORCES  1.5212000000e-03 -7.3600000000e-03  1.1141000000e-02 -8.0100000000e-04 -3.7214000000e-03  2.5616000000e-03 -3.0928000000e-03  7.6504000000e-03 -7.0353000000e-03 -1.8252000000e-03 -2.3062000000e-03 -6.5789000000e-03  3.7464000000e-03  2.0804000000e-03 -4.6884000000e-03  4.5130000000e-04  3.6568000000e-03  4.5999000000e-03
-
-JOB 301
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5970000000e-03  1.9218800000e-01  9.3766800000e-01 -2.0279800000e-01 -9.3382600000e-01 -5.5445000000e-02 -2.3832430000e+00 -1.6977220000e+00 -2.1843200000e+00 -1.4473850000e+00 -1.5841700000e+00 -2.3501780000e+00 -2.7788790000e+00 -1.7321340000e+00 -3.0552500000e+00
-ENERGY -1.526546538196e+02
-FORCES -2.3263000000e-03 -2.7604000000e-03  4.7344000000e-03  4.0820000000e-04 -6.6400000000e-04 -3.6898000000e-03  2.1502000000e-03  3.7382000000e-03 -1.3210000000e-03  1.8243000000e-03  1.7274000000e-03 -5.1692000000e-03 -3.5731000000e-03 -2.1002000000e-03  1.9193000000e-03  1.5166000000e-03  5.9000000000e-05  3.5263000000e-03
-
-JOB 302
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6529900000e-01  3.7557300000e-01  1.6258800000e-01 -2.2307800000e-01  2.8582000000e-01 -8.8587500000e-01 -1.2034550000e+00 -1.4880540000e+00 -2.5015490000e+00 -2.0327560000e+00 -1.6452880000e+00 -2.9529570000e+00 -1.0942680000e+00 -5.3737600000e-01 -2.5243950000e+00
-ENERGY -1.526493518842e+02
-FORCES  2.7902000000e-03  8.2680000000e-04 -3.4211000000e-03 -3.9130000000e-03 -1.8720000000e-03 -6.6800000000e-04 -9.2370000000e-04 -9.3200000000e-05  1.2970000000e-04 -4.0239000000e-03  2.5909000000e-03 -1.6408000000e-03  3.9729000000e-03  2.9890000000e-04  2.1493000000e-03  2.0975000000e-03 -1.7515000000e-03  3.4508000000e-03
-
-JOB 303
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5621000000e-02 -6.5494600000e-01 -6.9496200000e-01 -6.2546500000e-01 -3.7183000000e-01  6.2190600000e-01  2.1464400000e-01 -1.6286530000e+00 -2.1103060000e+00  1.0407670000e+00 -1.3075730000e+00 -2.4717760000e+00  2.3668700000e-01 -2.5732600000e+00 -2.2634820000e+00
-ENERGY -1.526595821484e+02
-FORCES -1.6065000000e-03 -1.1619900000e-02 -1.1056700000e-02  2.3764000000e-03  7.3522000000e-03  5.4968000000e-03  1.6522000000e-03 -1.9400000000e-05 -2.1623000000e-03  1.6601000000e-03  1.6964000000e-03  4.6471000000e-03 -4.7588000000e-03 -2.3193000000e-03  3.3144000000e-03  6.7650000000e-04  4.9100000000e-03 -2.3940000000e-04
-
-JOB 304
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0599300000e-01 -2.5903900000e-01 -5.9220200000e-01  7.3596900000e-01 -5.6130600000e-01 -2.4395900000e-01 -4.8227900000e-01 -1.6488490000e+00  2.0259660000e+00  2.6630000000e-02 -1.6774300000e+00  2.8361670000e+00 -1.3892300000e-01 -8.9047500000e-01  1.5535180000e+00
-ENERGY -1.526587226457e+02
-FORCES -4.4320000000e-03 -8.5716000000e-03  4.0310000000e-04  4.5363000000e-03  1.6008000000e-03  1.9394000000e-03 -4.2550000000e-03  2.3210000000e-03  4.6525000000e-03  1.3738000000e-03  1.1047400000e-02 -9.1790000000e-03 -1.6200000000e-05  2.1113000000e-03 -4.5268000000e-03  2.7931000000e-03 -8.5089000000e-03  6.7108000000e-03
-
-JOB 305
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8804800000e-01 -4.3761800000e-01  8.3027700000e-01  9.4358300000e-01 -1.0755000000e-01 -1.1965100000e-01 -1.8018410000e+00 -6.3130100000e-01  1.9842270000e+00 -1.7022480000e+00 -1.4458970000e+00  2.4769220000e+00 -2.5354920000e+00 -7.9708000000e-01  1.3921930000e+00
-ENERGY -1.526588718557e+02
-FORCES -4.4328000000e-03 -1.7731000000e-03  8.1352000000e-03  7.6974000000e-03 -4.0220000000e-04 -6.9201000000e-03 -3.8129000000e-03 -7.1290000000e-04  2.4945000000e-03 -4.4534000000e-03 -8.9540000000e-04 -4.0547000000e-03  1.7250000000e-03  3.9885000000e-03 -3.8895000000e-03  3.2768000000e-03 -2.0500000000e-04  4.2347000000e-03
-
-JOB 306
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6186300000e-01  5.5406900000e-01 -4.1373400000e-01  3.8231200000e-01  5.5168100000e-01  6.8243500000e-01 -4.3181200000e-01 -2.7914900000e+00  4.8110900000e-01 -6.2303200000e-01 -3.2136870000e+00 -3.5639700000e-01 -1.4511100000e-01 -1.9092360000e+00  2.4518000000e-01
-ENERGY -1.526613171827e+02
-FORCES -2.6842000000e-03  2.0190000000e-03  1.9933000000e-03  3.6989000000e-03 -1.4906000000e-03  2.0845000000e-03 -2.3721000000e-03 -1.7967000000e-03 -3.6794000000e-03  1.5431000000e-03  9.3021000000e-03 -4.2109000000e-03  2.1760000000e-04  1.9811000000e-03  2.2212000000e-03 -4.0340000000e-04 -1.0014900000e-02  1.5914000000e-03
-
-JOB 307
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4250000000e-02 -4.7537100000e-01  8.2545200000e-01  4.7755000000e-01  8.1796500000e-01  1.3824200000e-01 -1.2353500000e-01  1.1007330000e+00 -2.9674520000e+00  7.7973100000e-01  1.4152150000e+00 -3.0054490000e+00 -5.6009600000e-01  1.6976130000e+00 -2.3596850000e+00
-ENERGY -1.526517489336e+02
-FORCES  2.7722000000e-03  8.0110000000e-04  3.4495000000e-03 -3.4340000000e-04  1.9160000000e-03 -4.1670000000e-03 -2.5878000000e-03 -2.4451000000e-03 -1.1680000000e-03  1.0758000000e-03  1.4328000000e-03  4.2035000000e-03 -3.5224000000e-03 -8.3650000000e-04  5.7960000000e-04  2.6056000000e-03 -8.6820000000e-04 -2.8975000000e-03
-
-JOB 308
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7975100000e-01  2.2567600000e-01 -3.0222400000e-01 -9.8645000000e-02 -9.2658300000e-01 -2.1896200000e-01 -3.9165700000e-01  6.6870100000e-01  2.4055190000e+00 -1.2423500000e-01  4.0723300000e-01  1.5244110000e+00  4.3094500000e-01  7.9601100000e-01  2.8781180000e+00
-ENERGY -1.526552060311e+02
-FORCES -1.8141000000e-03  1.5027000000e-03  1.4400400000e-02 -4.6955000000e-03 -2.0669000000e-03  4.2590000000e-03  2.0004000000e-03  5.6090000000e-03  8.5150000000e-04  3.6522000000e-03 -6.8232000000e-03 -2.3425100000e-02  1.7538000000e-03  2.7658000000e-03  8.3989000000e-03 -8.9690000000e-04 -9.8730000000e-04 -4.4847000000e-03
-
-JOB 309
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3574000000e-02 -4.3322600000e-01 -8.5288900000e-01  2.0075700000e-01  9.1370100000e-01 -2.0268000000e-01  2.6823160000e+00  1.5304140000e+00  6.5544800000e-01  2.7843590000e+00  2.2564080000e+00  4.0019000000e-02  2.9344730000e+00  7.5436600000e-01  1.5505000000e-01
-ENERGY -1.526544497984e+02
-FORCES  1.4429000000e-03  4.2186000000e-03 -2.0199000000e-03  1.5691000000e-03  1.8931000000e-03  3.5582000000e-03 -2.9493000000e-03 -4.2182000000e-03 -1.8567000000e-03  2.6514000000e-03 -2.8498000000e-03 -2.9889000000e-03 -2.5606000000e-03 -3.6004000000e-03  2.1652000000e-03 -1.5350000000e-04  4.5568000000e-03  1.1421000000e-03
-
-JOB 310
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3059200000e-01  3.3384800000e-01 -5.2058800000e-01 -5.5802000000e-02  4.7907800000e-01  8.2680200000e-01  1.4826050000e+00 -1.2942160000e+00  2.5011460000e+00  1.5613090000e+00 -8.6628800000e-01  3.3537390000e+00  1.9889600000e+00 -2.1016210000e+00  2.5902200000e+00
-ENERGY -1.526535674726e+02
-FORCES -1.9418000000e-03  2.3870000000e-03  3.6226000000e-03  3.1032000000e-03 -1.7884000000e-03  2.2605000000e-03 -1.2448000000e-03  4.1730000000e-04 -4.4982000000e-03  3.2704000000e-03 -3.5622000000e-03  2.5698000000e-03 -1.1823000000e-03 -8.8250000000e-04 -4.2885000000e-03 -2.0047000000e-03  3.4288000000e-03  3.3390000000e-04
-
-JOB 311
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.9661000000e-02 -6.5530600000e-01  6.9056000000e-01  7.7596000000e-01 -1.1047000000e-01 -5.4946800000e-01 -1.4829000000e-02 -1.8848390000e+00  2.0596270000e+00 -7.6902300000e-01 -1.8811280000e+00  2.6490420000e+00 -1.8808000000e-01 -2.6044900000e+00  1.4527350000e+00
-ENERGY -1.526603614263e+02
-FORCES  2.4452000000e-03 -6.7901000000e-03  9.7231000000e-03 -9.0500000000e-05  3.4539000000e-03 -1.0828500000e-02 -2.4624000000e-03 -1.3471000000e-03  2.4370000000e-03 -5.0440000000e-03 -2.2440000000e-04  2.1010000000e-04  3.7950000000e-03 -1.3546000000e-03 -3.1433000000e-03  1.3568000000e-03  6.2622000000e-03  1.6016000000e-03
-
-JOB 312
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9503700000e-01  3.0604600000e-01 -6.8447000000e-01  2.0639000000e-02 -9.5418200000e-01 -7.3089000000e-02 -3.1531920000e+00  5.0519900000e-01  1.1807600000e+00 -3.4003440000e+00  1.7732000000e-01  3.1609600000e-01 -2.4995690000e+00 -1.1887900000e-01  1.4962520000e+00
-ENERGY -1.526543495163e+02
-FORCES  3.8935000000e-03 -1.0563000000e-03 -3.7988000000e-03 -2.5294000000e-03 -1.6829000000e-03  2.8263000000e-03 -1.6240000000e-03  4.1706000000e-03  1.0199000000e-03  5.1946000000e-03 -2.9539000000e-03 -3.5689000000e-03 -4.2560000000e-04  8.1550000000e-04  3.3883000000e-03 -4.5091000000e-03  7.0710000000e-04  1.3320000000e-04
-
-JOB 313
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3687300000e-01 -1.6375100000e-01  1.0810800000e-01  3.9154700000e-01 -2.9442700000e-01  8.2233500000e-01 -8.5689000000e-02  2.6679090000e+00  2.2945500000e-01 -8.4348500000e-01  2.8742700000e+00  7.7662400000e-01 -1.4254800000e-01  1.7230430000e+00  8.7232000000e-02
-ENERGY -1.526575266569e+02
-FORCES  3.2880000000e-04  3.1493000000e-03  4.4219000000e-03  5.5521000000e-03  5.2692000000e-03  5.9060000000e-04 -3.5156000000e-03  1.9981000000e-03 -4.3667000000e-03  3.4740000000e-04 -1.7097100000e-02 -1.6099000000e-03  1.9280000000e-03 -3.1914000000e-03 -1.6332000000e-03 -4.6406000000e-03  9.8720000000e-03  2.5973000000e-03
-
-JOB 314
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1133500000e-01  1.2903000000e-01  6.2736400000e-01 -7.9701300000e-01  1.6635300000e-01  5.0331700000e-01  2.0403100000e-01 -1.7007170000e+00 -2.3516730000e+00 -3.0821000000e-02 -2.5968720000e+00 -2.1108770000e+00  3.2224800000e-01 -1.2506080000e+00 -1.5152180000e+00
-ENERGY -1.526606862203e+02
-FORCES -2.6122000000e-03  1.6881000000e-03  2.9715000000e-03 -3.7806000000e-03 -1.2729000000e-03 -3.0061000000e-03  4.5692000000e-03 -3.2520000000e-04 -9.5890000000e-04 -1.4195000000e-03  3.2275000000e-03  8.6703000000e-03  5.3830000000e-04  2.9386000000e-03 -3.0960000000e-04  2.7049000000e-03 -6.2561000000e-03 -7.3671000000e-03
-
-JOB 315
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2032600000e-01  7.1312600000e-01  3.7005800000e-01 -1.2153800000e-01  8.0131000000e-02 -9.4606500000e-01 -1.1811970000e+00  7.0075500000e-01 -2.6248500000e+00 -2.0575330000e+00  3.1686800000e-01 -2.5948900000e+00 -6.1611100000e-01 -1.3763000000e-02 -2.9187420000e+00
-ENERGY -1.526570669016e+02
-FORCES -6.1204000000e-03  7.4044000000e-03 -7.2954000000e-03  1.6661000000e-03 -2.8793000000e-03  8.5870000000e-04  4.8812000000e-03 -6.2851000000e-03  1.6703000000e-03 -3.6499000000e-03 -4.2067000000e-03 -2.0516000000e-03  4.6444000000e-03  2.1109000000e-03 -7.2100000000e-05 -1.4213000000e-03  3.8558000000e-03  6.8902000000e-03
-
-JOB 316
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0426000000e-02 -8.0993700000e-01  5.1002500000e-01  9.2914900000e-01  1.9895900000e-01 -1.1545300000e-01 -1.8471450000e+00  1.7247310000e+00  1.0059310000e+00 -1.0954260000e+00  1.3251290000e+00  5.6835900000e-01 -1.5911000000e+00  2.6376830000e+00  1.1370450000e+00
-ENERGY -1.526602551148e+02
-FORCES -1.6288000000e-03 -8.5990000000e-04  4.6066000000e-03  1.8499000000e-03  3.7489000000e-03 -3.2767000000e-03 -4.8640000000e-03 -5.2520000000e-04  1.4285000000e-03  9.5704000000e-03 -6.9376000000e-03 -5.3386000000e-03 -6.0660000000e-03  8.0606000000e-03  3.7520000000e-03  1.1385000000e-03 -3.4868000000e-03 -1.1718000000e-03
-
-JOB 317
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7101700000e-01  2.0210600000e-01  5.3001700000e-01  7.6187000000e-02 -9.5328500000e-01  4.0924000000e-02 -4.5243200000e-01 -2.4993290000e+00  4.9594600000e-01 -1.2119650000e+00 -3.0101130000e+00  7.7602000000e-01  3.0191300000e-01 -3.0184140000e+00  7.7477900000e-01
-ENERGY -1.526550602171e+02
-FORCES -7.7289000000e-03 -1.9144400000e-02  5.9675000000e-03  1.0360000000e-03  1.2628000000e-03 -1.3066000000e-03  6.6123000000e-03  1.0464000000e-03 -1.2269000000e-03 -6.2610000000e-04  1.1560400000e-02 -1.4176000000e-03  4.8596000000e-03  1.3804000000e-03 -7.7200000000e-05 -4.1528000000e-03  3.8943000000e-03 -1.9392000000e-03
-
-JOB 318
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7388600000e-01 -7.2689900000e-01 -4.0408200000e-01 -8.9839100000e-01 -9.3545000000e-02 -3.1682000000e-01 -1.0980410000e+00 -2.8743890000e+00 -5.9143000000e-01 -3.5785200000e-01 -2.9761840000e+00  6.8920000000e-03 -1.8674770000e+00 -2.8662390000e+00 -2.2101000000e-02
-ENERGY -1.526563227771e+02
-FORCES -3.9514000000e-03 -6.2559000000e-03 -5.8468000000e-03  1.0956000000e-03  1.9979000000e-03  3.5617000000e-03  2.3314000000e-03  2.9077000000e-03  2.7287000000e-03 -5.2780000000e-04 -9.2560000000e-04  6.6476000000e-03 -2.0521000000e-03  1.7292000000e-03 -4.0612000000e-03  3.1043000000e-03  5.4670000000e-04 -3.0301000000e-03
-
-JOB 319
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3948500000e-01  6.8950400000e-01 -5.7058400000e-01 -1.8908000000e-02 -7.8976000000e-01 -5.4051300000e-01 -2.1262940000e+00  2.5915600000e-01  1.9594590000e+00 -2.0866100000e+00 -5.2975600000e-01  2.5000840000e+00 -1.4594940000e+00  1.2266000000e-01  1.2864230000e+00
-ENERGY -1.526609710795e+02
-FORCES  3.7720000000e-04 -1.6450000000e-04 -5.2780000000e-03  3.0140000000e-04 -4.6359000000e-03  4.3165000000e-03 -4.4820000000e-04  4.1565000000e-03  3.0173000000e-03  9.3607000000e-03 -3.8766000000e-03 -4.7385000000e-03 -1.4640000000e-04  1.9659000000e-03 -2.0079000000e-03 -9.4446000000e-03  2.5546000000e-03  4.6907000000e-03
-
-JOB 320
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7009600000e-01  5.5860600000e-01  6.1903200000e-01 -9.2262700000e-01  2.1707700000e-01  1.3367300000e-01 -1.1885590000e+00  1.5245140000e+00  2.8802210000e+00 -2.0133470000e+00  1.8493560000e+00  3.2413780000e+00 -5.2708800000e-01  1.7836120000e+00  3.5217470000e+00
-ENERGY -1.526571613612e+02
-FORCES -3.3083000000e-03  4.2182000000e-03  5.8226000000e-03  7.7940000000e-04 -2.4465000000e-03 -3.5059000000e-03  2.8895000000e-03 -1.8132000000e-03 -3.0755000000e-03 -1.3114000000e-03  2.4372000000e-03  5.4281000000e-03  3.5871000000e-03 -1.4169000000e-03 -1.5043000000e-03 -2.6363000000e-03 -9.7880000000e-04 -3.1651000000e-03
-
-JOB 321
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9292700000e-01  9.3359400000e-01  8.6101000000e-02  7.5287200000e-01 -3.5827500000e-01 -4.7016400000e-01  2.6779200000e-01  2.7450850000e+00 -1.2880700000e+00  1.2051120000e+00  2.6810020000e+00 -1.4712540000e+00 -1.3060300000e-01  2.0688580000e+00 -1.8360020000e+00
-ENERGY -1.526580036591e+02
-FORCES  3.9772000000e-03  6.1191000000e-03 -4.4710000000e-04 -3.6020000000e-04 -8.0882000000e-03 -7.0000000000e-06 -3.0647000000e-03  2.1195000000e-03  5.3840000000e-04  5.4830000000e-04 -1.9852000000e-03 -6.0585000000e-03 -4.4881000000e-03 -1.5142000000e-03  2.3107000000e-03  3.3874000000e-03  3.3489000000e-03  3.6635000000e-03
-
-JOB 322
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9330900000e-01 -1.5380300000e-01 -8.9807900000e-01  4.5689700000e-01 -6.6234400000e-01  5.1843800000e-01  1.2182830000e+00 -1.6697050000e+00  1.6625030000e+00  1.1850020000e+00 -2.0066020000e+00  2.5578380000e+00  1.9345940000e+00 -2.1529840000e+00  1.2507110000e+00
-ENERGY -1.526578282725e+02
-FORCES  6.3852000000e-03 -9.6053000000e-03  9.4270000000e-03  7.0840000000e-04 -1.1802000000e-03  3.6295000000e-03 -7.6350000000e-04  3.3302000000e-03 -7.8967000000e-03 -4.4678000000e-03  4.6725000000e-03 -2.1331000000e-03  2.4812000000e-03  3.0100000000e-05 -4.6045000000e-03 -4.3434000000e-03  2.7527000000e-03  1.5778000000e-03
-
-JOB 323
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7006600000e-01 -2.4291100000e-01 -3.1656200000e-01 -5.2285800000e-01  1.0820900000e-01 -7.9444400000e-01 -1.5839450000e+00 -3.1413930000e+00 -4.5867000000e-01 -1.9570430000e+00 -2.2643350000e+00 -3.7036700000e-01 -6.4884200000e-01 -2.9915140000e+00 -5.9778000000e-01
-ENERGY -1.526549994242e+02
-FORCES  2.9184000000e-03  1.9641000000e-03 -4.1977000000e-03 -4.3508000000e-03  1.5570000000e-04  1.2738000000e-03  1.4693000000e-03 -2.3188000000e-03  4.0950000000e-03  3.2417000000e-03  5.6512000000e-03  2.2426000000e-03 -5.5800000000e-05 -3.7188000000e-03 -2.3234000000e-03 -3.2227000000e-03 -1.7334000000e-03 -1.0903000000e-03
-
-JOB 324
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4285500000e-01  5.3816800000e-01 -7.7858800000e-01  8.7315000000e-01  2.4641100000e-01  3.0515800000e-01  3.2119890000e+00  4.4995200000e-01 -1.9385000000e+00  3.0171540000e+00  1.3742220000e+00 -1.7835950000e+00  3.6506180000e+00  1.5983400000e-01 -1.1387070000e+00
-ENERGY -1.526537943552e+02
-FORCES  3.9154000000e-03  2.3571000000e-03 -3.7749000000e-03 -2.6960000000e-04 -1.3055000000e-03  3.8477000000e-03 -3.3074000000e-03 -3.7340000000e-04  1.2890000000e-04  2.8274000000e-03  2.0226000000e-03  2.7569000000e-03 -4.2840000000e-04 -4.4045000000e-03  2.3800000000e-05 -2.7374000000e-03  1.7037000000e-03 -2.9825000000e-03
-
-JOB 325
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3017300000e-01 -9.2413300000e-01 -9.6076000000e-02  7.4220800000e-01  1.2519100000e-01 -5.9134300000e-01 -1.7660400000e-01 -2.6438580000e+00 -3.5122000000e-02  1.0175300000e-01 -3.1098770000e+00  7.5327900000e-01 -9.5084100000e-01 -3.1203080000e+00 -3.3476200000e-01
-ENERGY -1.526595964047e+02
-FORCES  6.8280000000e-04 -1.7631800000e-02 -1.8165000000e-03 -1.4198000000e-03  8.4228000000e-03 -1.0680000000e-03 -1.7699000000e-03 -7.1480000000e-04  1.5889000000e-03  8.1670000000e-04  6.2817000000e-03  3.7360000000e-03 -2.3667000000e-03  6.3960000000e-04 -4.8188000000e-03  4.0570000000e-03  3.0025000000e-03  2.3784000000e-03
-
-JOB 326
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5609200000e-01 -1.5652000000e-02 -4.3308000000e-02 -2.7927800000e-01 -6.7669300000e-01 -6.1670300000e-01 -1.6559030000e+00 -1.4996220000e+00 -1.8880520000e+00 -1.3249980000e+00 -9.7048100000e-01 -2.6138230000e+00 -2.3616460000e+00 -2.0196280000e+00 -2.2724360000e+00
-ENERGY -1.526588457846e+02
-FORCES -1.6876000000e-03 -5.5834000000e-03 -2.7330000000e-03 -3.7672000000e-03 -2.9810000000e-04 -9.4490000000e-04  6.3167000000e-03  6.4152000000e-03  1.6631000000e-03 -3.8823000000e-03 -3.4750000000e-04 -2.8364000000e-03  5.5900000000e-05 -3.2539000000e-03  4.6721000000e-03  2.9644000000e-03  3.0677000000e-03  1.7900000000e-04
-
-JOB 327
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2113400000e-01 -2.1668000000e-02 -9.0146300000e-01  9.3141300000e-01  2.0492200000e-01 -8.1903000000e-02  7.2817000000e-01 -1.9188990000e+00 -2.1408190000e+00  2.2510700000e-01 -2.5411190000e+00 -2.6661770000e+00  6.8904400000e-01 -1.1003840000e+00 -2.6355250000e+00
-ENERGY -1.526510793843e+02
-FORCES  4.3366000000e-03 -5.7496000000e-03 -6.2744000000e-03  5.8990000000e-04  3.3131000000e-03  9.9170000000e-04 -3.6913000000e-03  9.6070000000e-04  2.6590000000e-04 -1.9454000000e-03 -2.6490000000e-04 -2.7712000000e-03  1.9949000000e-03  3.2898000000e-03  2.7507000000e-03 -1.2847000000e-03 -1.5490000000e-03  5.0372000000e-03
-
-JOB 328
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5835300000e-01 -7.8575400000e-01  5.2320800000e-01  3.7620500000e-01  7.1237700000e-01  5.1693400000e-01  1.4009110000e+00 -4.6786300000e-01 -2.3525900000e+00  1.9112540000e+00 -3.6117600000e-01 -1.5498450000e+00  4.8917300000e-01 -4.1137400000e-01 -2.0666260000e+00
-ENERGY -1.526567720161e+02
-FORCES  3.1565000000e-03 -7.0700000000e-05  3.3890000000e-04  5.8640000000e-04  4.0702000000e-03 -3.3005000000e-03 -4.3800000000e-04 -4.3301000000e-03 -2.4679000000e-03 -7.0940000000e-03  3.5022000000e-03  1.3196200000e-02  2.7231000000e-03 -8.7630000000e-04 -2.0333000000e-03  1.0661000000e-03 -2.2954000000e-03 -5.7334000000e-03
-
-JOB 329
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0697400000e-01  4.0058600000e-01 -8.1334500000e-01  6.7163500000e-01 -6.4637400000e-01  2.1757300000e-01  1.6143000000e-02 -2.3164490000e+00 -1.7890960000e+00  9.4393800000e-01 -2.5414810000e+00 -1.7198930000e+00  1.1230000000e-02 -1.3906190000e+00 -2.0320930000e+00
-ENERGY -1.526494975706e+02
-FORCES  3.3606000000e-03 -5.9667000000e-03 -2.6456000000e-03 -2.2110000000e-03 -4.5808000000e-03  7.2540000000e-04 -9.2590000000e-04  3.9685000000e-03 -1.0248000000e-03  1.0776000000e-03  5.9147000000e-03  1.7385000000e-03 -3.9189000000e-03  2.3332000000e-03  1.6230000000e-03  2.6176000000e-03 -1.6690000000e-03 -4.1650000000e-04
-
-JOB 330
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7664500000e-01  3.1146100000e-01  7.6943700000e-01 -5.8988200000e-01  1.7256800000e-01 -7.3382000000e-01 -1.9040670000e+00  2.2374000000e-01 -2.1188780000e+00 -1.5899200000e+00 -4.5333000000e-01 -2.7181430000e+00 -2.1349360000e+00  9.5871800000e-01 -2.6869790000e+00
-ENERGY -1.526616802678e+02
-FORCES -9.6427000000e-03  2.6191000000e-03 -5.6554000000e-03  1.4203000000e-03 -5.4390000000e-04 -2.2036000000e-03  7.8606000000e-03 -2.5961000000e-03  6.0659000000e-03  4.0090000000e-04  2.4370000000e-04 -3.7008000000e-03 -9.5290000000e-04  4.5180000000e-03  3.3395000000e-03  9.1380000000e-04 -4.2407000000e-03  2.1545000000e-03
-
-JOB 331
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9557200000e-01  2.5261000000e-01 -2.2443500000e-01  1.9901000000e-02 -9.4893300000e-01 -1.2394000000e-01  5.1948800000e-01  1.7655370000e+00  2.2745490000e+00 -1.7820400000e-01  1.5116750000e+00  2.8787120000e+00  5.4787000000e-01  1.0584500000e+00  1.6299930000e+00
-ENERGY -1.526608240520e+02
-FORCES -3.7287000000e-03 -1.5729000000e-03 -2.4206000000e-03  4.2018000000e-03 -2.4260000000e-03  1.5321000000e-03 -9.5290000000e-04  4.6841000000e-03  7.3250000000e-04 -2.4512000000e-03 -7.5513000000e-03 -5.4399000000e-03  1.6840000000e-03  8.2820000000e-04 -2.2002000000e-03  1.2471000000e-03  6.0380000000e-03  7.7961000000e-03
-
-JOB 332
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8969400000e-01 -5.8772000000e-01 -5.7534100000e-01 -9.1309400000e-01 -2.6745100000e-01 -1.0469400000e-01  1.9534170000e+00  2.1954860000e+00  1.2665930000e+00  2.6784330000e+00  2.2564830000e+00  1.8885760000e+00  2.2694160000e+00  2.6480050000e+00  4.8454200000e-01
-ENERGY -1.526514797500e+02
-FORCES -1.0849000000e-03 -3.4809000000e-03 -2.1922000000e-03 -1.9948000000e-03  2.6862000000e-03  2.1720000000e-03  4.0338000000e-03  1.5331000000e-03  7.4980000000e-04  3.2857000000e-03  1.7411000000e-03 -1.4830000000e-03 -3.3433000000e-03 -7.3230000000e-04 -2.5739000000e-03 -8.9650000000e-04 -1.7470000000e-03  3.3273000000e-03
-
-JOB 333
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2659700000e-01  6.9594800000e-01 -1.9815400000e-01  8.5586900000e-01  4.2527300000e-01 -5.3501000000e-02 -3.1412510000e+00 -2.2938400000e-01 -1.6366280000e+00 -2.6617120000e+00 -1.0500150000e+00 -1.5233150000e+00 -4.0532650000e+00 -4.9778600000e-01 -1.7480820000e+00
-ENERGY -1.526576548465e+02
-FORCES  4.3700000000e-04  5.3247000000e-03 -1.0674000000e-03  4.5593000000e-03 -3.1238000000e-03  1.6120000000e-03 -3.3947000000e-03 -1.5204000000e-03  2.8960000000e-04 -1.9268000000e-03 -5.2648000000e-03 -1.7210000000e-04 -3.3928000000e-03  3.7874000000e-03 -9.7850000000e-04  3.7181000000e-03  7.9690000000e-04  3.1640000000e-04
-
-JOB 334
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8580000000e-01 -7.4875800000e-01  1.1149600000e-01  3.6563500000e-01  6.7754600000e-01  5.6874900000e-01  2.1097470000e+00 -1.2554940000e+00  1.2585560000e+00  2.8040790000e+00 -8.4520000000e-01  7.4300500000e-01  2.3353300000e+00 -2.1856880000e+00  1.2676570000e+00
-ENERGY -1.526578587186e+02
-FORCES  1.0627200000e-02 -5.5084000000e-03  1.0180300000e-02 -3.9236000000e-03  1.4882000000e-03 -6.6022000000e-03 -1.2122000000e-03  3.5210000000e-04 -2.9116000000e-03  1.6986000000e-03  5.0370000000e-04 -1.1344000000e-03 -5.3312000000e-03 -1.9198000000e-03  1.9734000000e-03 -1.8589000000e-03  5.0843000000e-03 -1.5054000000e-03
-
-JOB 335
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7161400000e-01  2.5375400000e-01 -3.0352900000e-01  5.7418000000e-02 -9.4653900000e-01  1.3038200000e-01 -6.3725000000e-02 -2.7620530000e+00 -1.5830600000e-01  2.2413200000e-01 -3.2319120000e+00  6.2438400000e-01  6.0891000000e-01 -2.9509840000e+00 -8.1259900000e-01
-ENERGY -1.526591598786e+02
-FORCES  8.8320000000e-04 -1.3489800000e-02 -1.0468000000e-03 -2.3909000000e-03 -2.2925000000e-03  4.8030000000e-04  2.6715000000e-03  1.0437700000e-02  1.8854000000e-03  2.2133000000e-03 -1.0203000000e-03 -1.6263000000e-03 -6.8310000000e-04  4.2418000000e-03 -4.3365000000e-03 -2.6940000000e-03  2.1230000000e-03  4.6440000000e-03
-
-JOB 336
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5937700000e-01 -9.0876900000e-01  1.5196800000e-01  4.3370500000e-01  2.3961100000e-01 -8.1897400000e-01  7.5237800000e-01 -2.7259950000e+00  2.9785100000e-01  1.1660700000e-01 -3.3477480000e+00  6.5204100000e-01  1.0429210000e+00 -3.1217250000e+00 -5.2386300000e-01
-ENERGY -1.526609847069e+02
-FORCES  4.7363000000e-03 -1.0953100000e-02 -3.2160000000e-04 -2.9835000000e-03  9.9845000000e-03 -1.4285000000e-03 -1.0941000000e-03 -1.4322000000e-03  2.0435000000e-03 -2.3641000000e-03 -2.2868000000e-03 -1.7797000000e-03  3.5712000000e-03  2.5616000000e-03 -2.5024000000e-03 -1.8659000000e-03  2.1261000000e-03  3.9886000000e-03
-
-JOB 337
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2779700000e-01 -7.1949400000e-01  5.8878500000e-01  1.3190300000e-01  7.8998400000e-01  5.2417400000e-01  1.8741960000e+00 -5.3482000000e-01 -2.0552730000e+00  1.0430770000e+00 -2.8804200000e-01 -1.6495950000e+00  2.4445550000e+00 -7.5535000000e-01 -1.3188700000e+00
-ENERGY -1.526591393551e+02
-FORCES  3.0404000000e-03  1.4860000000e-04  2.7517000000e-03  2.4960000000e-04  4.0796000000e-03 -3.1410000000e-03 -1.2980000000e-04 -4.5874000000e-03 -1.9400000000e-03 -7.1847000000e-03  2.7720000000e-03  1.0979000000e-02  4.6847000000e-03 -2.2039000000e-03 -6.7975000000e-03 -6.6030000000e-04 -2.0890000000e-04 -1.8521000000e-03
-
-JOB 338
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4633600000e-01  1.4237400000e-01  2.0237000000e-02  2.9252100000e-01  2.0463100000e-01  8.8813800000e-01  4.1293000000e-01  3.0568710000e+00  1.5183510000e+00  1.5548200000e-01  2.1854010000e+00  1.8191700000e+00  1.3694800000e+00  3.0299910000e+00  1.4954850000e+00
-ENERGY -1.526510303051e+02
-FORCES -3.2426000000e-03  2.2314000000e-03  2.3296000000e-03  4.3798000000e-03 -1.0653000000e-03  5.7720000000e-04 -1.2791000000e-03  1.4249000000e-03 -1.8712000000e-03  3.5476000000e-03 -3.4285000000e-03 -6.1150000000e-04  9.1200000000e-04  8.5530000000e-04 -1.2098000000e-03 -4.3178000000e-03 -1.7700000000e-05  7.8560000000e-04
-
-JOB 339
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5532200000e-01 -4.3615000000e-02 -8.8773600000e-01 -9.4843500000e-01  4.0203000000e-02 -1.2282600000e-01 -1.7489000000e-01 -2.8209270000e+00 -1.1387720000e+00 -3.5893400000e-01 -2.0748920000e+00 -1.7095530000e+00  7.4390500000e-01 -2.7138630000e+00 -8.9263300000e-01
-ENERGY -1.526505174164e+02
-FORCES -4.1824000000e-03 -3.0355000000e-03 -3.2225000000e-03 -1.4952000000e-03 -2.4354000000e-03  2.3883000000e-03  4.3478000000e-03  7.0070000000e-04 -4.9350000000e-04  3.8166000000e-03  6.7822000000e-03  2.9942000000e-03  5.8060000000e-04 -7.2840000000e-04  1.2352000000e-03 -3.0674000000e-03 -1.2836000000e-03 -2.9016000000e-03
-
-JOB 340
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8788200000e-01 -6.7030100000e-01 -6.1971900000e-01  6.3104200000e-01  7.1186400000e-01 -1.0614800000e-01  1.1499850000e+00 -2.8693430000e+00 -1.0696950000e+00  1.6464090000e+00 -2.9149210000e+00 -2.5255600000e-01  2.6856100000e-01 -3.1566070000e+00 -8.3136200000e-01
-ENERGY -1.526595501744e+02
-FORCES  4.6461000000e-03 -1.3693000000e-03 -4.6818000000e-03 -4.0969000000e-03  5.6433000000e-03  4.6425000000e-03 -2.1009000000e-03 -2.7025000000e-03  6.5810000000e-04 -3.4480000000e-04 -5.3425000000e-03  5.1297000000e-03 -2.3033000000e-03  6.5830000000e-04 -4.2723000000e-03  4.1998000000e-03  3.1127000000e-03 -1.4761000000e-03
-
-JOB 341
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6309100000e-01 -3.2587400000e-01 -7.7174100000e-01 -8.3569000000e-02 -7.6425700000e-01  5.7022700000e-01  1.3965660000e+00  6.7407200000e-01 -2.9081530000e+00  1.7758180000e+00  1.4655130000e+00 -3.2902800000e+00  1.7521420000e+00 -4.1214000000e-02 -3.4355650000e+00
-ENERGY -1.526570627301e+02
-FORCES  2.3911000000e-03 -2.6081000000e-03 -3.1784000000e-03 -3.1764000000e-03 -2.2290000000e-03  6.4631000000e-03  5.7650000000e-04  2.7607000000e-03 -2.5712000000e-03  3.2742000000e-03  3.4603000000e-03 -4.6059000000e-03 -1.2443000000e-03 -3.8903000000e-03  5.4870000000e-04 -1.8211000000e-03  2.5065000000e-03  3.3438000000e-03
-
-JOB 342
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0081200000e-01  5.6942000000e-02  5.2123800000e-01 -1.2475900000e-01  6.3849000000e-01 -7.0213700000e-01 -3.9359100000e-01 -1.2717130000e+00 -2.4319920000e+00  3.4073300000e-01 -7.4996200000e-01 -2.7556850000e+00 -5.7243700000e-01 -9.1939000000e-01 -1.5601470000e+00
-ENERGY -1.526536486775e+02
-FORCES -1.7593000000e-03  2.6697000000e-03 -1.3819000000e-03  3.8329000000e-03 -1.6977000000e-03 -4.9724000000e-03 -5.7450000000e-04 -9.3184000000e-03 -3.7950000000e-04  6.0568000000e-03  4.0134000000e-03  1.2580900000e-02 -3.3629000000e-03  7.3600000000e-05  1.1542000000e-03 -4.1930000000e-03  4.2594000000e-03 -7.0014000000e-03
-
-JOB 343
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4190800000e-01 -5.5828500000e-01 -2.3264100000e-01 -7.6610500000e-01 -4.6854600000e-01 -3.3133100000e-01  2.8697850000e+00 -3.7880600000e-01  1.4058620000e+00  3.7003050000e+00 -9.2747000000e-02  1.7861760000e+00  2.7528400000e+00  1.7956300000e-01  6.3724000000e-01
-ENERGY -1.526543362375e+02
-FORCES -5.7040000000e-04 -5.8538000000e-03 -6.7090000000e-04 -1.7643000000e-03  5.0047000000e-03 -9.2570000000e-04  2.9819000000e-03  1.9363000000e-03  1.4962000000e-03  2.9071000000e-03  5.1684000000e-03 -5.3300000000e-05 -3.5770000000e-03 -1.0760000000e-03 -1.3750000000e-03  2.2600000000e-05 -5.1796000000e-03  1.5288000000e-03
-
-JOB 344
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4946000000e-02  5.6244400000e-01 -7.7089000000e-01  8.8084900000e-01 -3.7014400000e-01 -5.7707000000e-02  1.1791360000e+00  2.9176750000e+00 -4.3602100000e-01  5.0618000000e-01  2.9109040000e+00  2.4465200000e-01  1.0876370000e+00  2.0706560000e+00 -8.7239200000e-01
-ENERGY -1.526514579663e+02
-FORCES  3.3287000000e-03 -9.0110000000e-04 -2.9333000000e-03  4.2044000000e-03  1.9760000000e-03  4.1069000000e-03 -4.3848000000e-03  2.7824000000e-03 -3.9770000000e-04 -3.7247000000e-03 -5.2260000000e-03  4.4986000000e-03  2.7192000000e-03  1.7792000000e-03 -3.8914000000e-03 -2.1429000000e-03 -4.1050000000e-04 -1.3831000000e-03
-
-JOB 345
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3771200000e-01  8.9428600000e-01  4.9353000000e-02  4.1454600000e-01 -3.7041400000e-01 -7.7921600000e-01 -2.6631490000e+00  3.0723000000e-02 -3.5783800000e-01 -1.7105370000e+00  1.9953000000e-02 -2.6485600000e-01 -2.9762820000e+00  4.7336900000e-01  4.3098700000e-01
-ENERGY -1.526597619852e+02
-FORCES -3.3813000000e-03  1.7290000000e-03 -3.1867000000e-03 -2.5439000000e-03 -4.9517000000e-03 -6.2540000000e-04 -3.1032000000e-03  3.0719000000e-03  4.0956000000e-03  1.6880000000e-02 -1.9820000000e-04  5.1997000000e-03 -9.7110000000e-03  7.8060000000e-04 -3.4230000000e-03  1.8594000000e-03 -4.3170000000e-04 -2.0603000000e-03
-
-JOB 346
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4335500000e-01  4.9416200000e-01 -6.1384200000e-01 -5.8309000000e-02  5.6043800000e-01  7.7378400000e-01 -2.1375600000e+00  1.6558620000e+00 -1.4475650000e+00 -1.9341330000e+00  9.1195300000e-01 -8.8060000000e-01 -3.0389800000e+00  1.5024170000e+00 -1.7306370000e+00
-ENERGY -1.526601941794e+02
-FORCES  5.6532000000e-03  4.6098000000e-03  1.8170000000e-04 -2.4760000000e-03 -2.8539000000e-03  3.5996000000e-03 -1.2985000000e-03 -2.6879000000e-03 -4.1154000000e-03 -3.6040000000e-04 -5.5567000000e-03  1.9336000000e-03 -5.0239000000e-03  6.6725000000e-03 -3.1939000000e-03  3.5056000000e-03 -1.8370000000e-04  1.5945000000e-03
-
-JOB 347
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6574800000e-01 -2.5911000000e-02 -8.8418800000e-01  9.0165200000e-01 -3.0395100000e-01 -1.0426000000e-01 -2.2094110000e+00  4.7894000000e-02 -1.9793110000e+00 -2.2074670000e+00 -7.2620400000e-01 -2.5423380000e+00 -2.2116420000e+00  7.8701600000e-01 -2.5875250000e+00
-ENERGY -1.526587375692e+02
-FORCES -3.4679000000e-03 -4.5500000000e-04 -5.7217000000e-03  8.9219000000e-03 -6.3080000000e-04  5.0314000000e-03 -3.9200000000e-03  8.2040000000e-04 -8.5940000000e-04 -4.2815000000e-03  2.3790000000e-04 -4.4577000000e-03  1.6629000000e-03  4.1963000000e-03  2.9905000000e-03  1.0846000000e-03 -4.1687000000e-03  3.0169000000e-03
-
-JOB 348
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9844500000e-01 -1.6870200000e-01  7.2776000000e-01  2.3232600000e-01 -6.5473500000e-01 -6.5846600000e-01 -3.8766400000e-01  2.6143110000e+00  2.0757100000e-01 -1.1015860000e+00  2.6264500000e+00  8.4506600000e-01 -3.4709300000e-01  1.7054550000e+00 -9.0030000000e-02
-ENERGY -1.526597549831e+02
-FORCES  2.2143000000e-03  6.6832000000e-03  1.6356000000e-03 -3.2134000000e-03 -7.5880000000e-04 -4.3212000000e-03 -1.4760000000e-04  2.9893000000e-03  4.2212000000e-03 -3.4480000000e-04 -1.6275500000e-02 -1.6961000000e-03  2.4811000000e-03 -7.5240000000e-04 -1.1607000000e-03 -9.8960000000e-04  8.1142000000e-03  1.3212000000e-03
-
-JOB 349
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7218800000e-01 -6.5077600000e-01 -6.4702100000e-01 -7.5079400000e-01  8.2394000000e-02  5.8800700000e-01  1.2522930000e+00  1.5177860000e+00 -3.1976300000e+00  1.7989450000e+00  1.4794800000e+00 -2.4128140000e+00  3.5459300000e-01  1.4971920000e+00 -2.8660560000e+00
-ENERGY -1.526567553347e+02
-FORCES -4.3519000000e-03 -3.6410000000e-03  1.4674000000e-03  9.5490000000e-04  3.7719000000e-03  2.4849000000e-03  3.0957000000e-03 -3.9580000000e-04 -2.8254000000e-03 -1.3917000000e-03  1.9140000000e-04  6.3839000000e-03 -1.1933000000e-03  3.7430000000e-04 -4.5117000000e-03  2.8863000000e-03 -3.0080000000e-04 -2.9991000000e-03
-
-JOB 350
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3230300000e-01 -7.0356700000e-01 -4.8408600000e-01  4.7462400000e-01 -4.4722700000e-01  7.0067900000e-01  1.2997330000e+00 -8.9624100000e-01  2.4434820000e+00  1.0822030000e+00 -6.5678000000e-02  2.8666580000e+00  8.3308100000e-01 -1.5562550000e+00  2.9561690000e+00
-ENERGY -1.526614373316e+02
-FORCES  4.3789000000e-03 -6.2731000000e-03  6.1633000000e-03  1.4286000000e-03  1.6306000000e-03  2.3362000000e-03 -5.8388000000e-03  4.8604000000e-03 -8.0286000000e-03 -2.4513000000e-03  1.3168000000e-03  5.2870000000e-03  5.7040000000e-04 -4.9960000000e-03 -2.9691000000e-03  1.9123000000e-03  3.4613000000e-03 -2.7888000000e-03
-
-JOB 351
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8775200000e-01 -5.1016100000e-01 -6.4658000000e-01  1.4091100000e-01 -6.0618300000e-01  7.2726800000e-01 -2.7263000000e-02 -1.7120290000e+00  2.1569150000e+00  7.2642200000e-01 -1.3320730000e+00  2.6083840000e+00 -7.7589100000e-01 -1.4889280000e+00  2.7101000000e+00
-ENERGY -1.526598065778e+02
-FORCES -2.0500000000e-03 -1.2250400000e-02  9.2651000000e-03  8.8070000000e-04  1.5679000000e-03  1.8797000000e-03  4.1068000000e-03  7.8778000000e-03 -5.0883000000e-03 -2.5422000000e-03  4.2397000000e-03  1.5370000000e-03 -4.8775000000e-03 -6.9100000000e-05 -5.2313000000e-03  4.4822000000e-03 -1.3659000000e-03 -2.3621000000e-03
-
-JOB 352
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6232700000e-01 -2.2883000000e-02 -7.7427200000e-01 -2.6451200000e-01 -7.6468500000e-01  5.1139200000e-01 -8.5821300000e-01 -1.6854300000e+00  2.0104320000e+00 -9.1507400000e-01 -1.0402010000e+00  2.7151850000e+00 -1.7323240000e+00 -1.6924860000e+00  1.6204150000e+00
-ENERGY -1.526583972710e+02
-FORCES -2.7661000000e-03 -9.3253000000e-03  7.7861000000e-03  3.1500000000e-04 -1.3984000000e-03  4.2159000000e-03 -1.5658000000e-03  6.3674000000e-03 -9.0042000000e-03 -2.2136000000e-03  6.6321000000e-03  1.9967000000e-03 -5.2860000000e-04 -4.0617000000e-03 -3.5819000000e-03  6.7591000000e-03  1.7858000000e-03 -1.4127000000e-03
-
-JOB 353
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8474500000e-01 -3.1453100000e-01 -1.8581900000e-01  1.3163800000e-01  8.0034200000e-01  5.0828700000e-01  1.1040320000e+00  2.1843650000e+00 -2.1841890000e+00  4.9743900000e-01  2.3102660000e+00 -2.9138640000e+00  1.3329170000e+00  1.2556190000e+00 -2.2198960000e+00
-ENERGY -1.526546396928e+02
-FORCES  3.9184000000e-03  4.7119000000e-03  1.7621000000e-03 -3.3555000000e-03  1.3914000000e-03 -1.3293000000e-03 -8.0230000000e-04 -4.7105000000e-03 -6.7970000000e-04 -4.1101000000e-03 -4.7600000000e-03 -2.7508000000e-03  2.8468000000e-03 -6.8000000000e-05  2.5505000000e-03  1.5027000000e-03  3.4353000000e-03  4.4720000000e-04
-
-JOB 354
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4268900000e-01 -8.6583000000e-02  1.4167500000e-01  2.1763900000e-01  8.6239200000e-01  3.5375700000e-01  1.9000900000e+00  1.7576160000e+00  1.9616840000e+00  2.1301470000e+00  1.4395330000e+00  2.8346850000e+00  2.0290010000e+00  2.7048780000e+00  2.0097200000e+00
-ENERGY -1.526578003132e+02
-FORCES -2.3750000000e-04  4.3681000000e-03  3.7650000000e-03  3.4997000000e-03  3.9000000000e-04 -2.3250000000e-04 -4.7497000000e-03 -3.8972000000e-03 -5.0273000000e-03  3.4678000000e-03  1.0212000000e-03  5.4458000000e-03 -6.4320000000e-04  2.4507000000e-03 -3.4367000000e-03 -1.3371000000e-03 -4.3328000000e-03 -5.1430000000e-04
-
-JOB 355
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5347800000e-01 -3.5544200000e-01  8.7540700000e-01  7.0477000000e-01 -5.3977500000e-01 -3.5801400000e-01 -7.6418800000e-01 -1.5560890000e+00  1.9751750000e+00 -1.6704750000e+00 -1.2725850000e+00  2.0955920000e+00 -3.9598700000e-01 -1.5645910000e+00  2.8586830000e+00
-ENERGY -1.526579820057e+02
-FORCES -2.8232000000e-03 -1.4028900000e-02  1.3434600000e-02  6.8200000000e-04  7.5829000000e-03 -4.3161000000e-03 -1.3400000000e-03  1.5475000000e-03  1.1312000000e-03 -1.2762000000e-03  3.8184000000e-03 -4.4956000000e-03  6.4614000000e-03 -2.5890000000e-04 -3.9800000000e-05 -1.7040000000e-03  1.3391000000e-03 -5.7142000000e-03
-
-JOB 356
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5755500000e-01  1.3399800000e-01  5.6955000000e-01  5.1587400000e-01 -6.7463700000e-01  4.4155500000e-01 -2.0348450000e+00  1.1207140000e+00  1.1463730000e+00 -1.8999540000e+00  1.6225120000e+00  1.9502600000e+00 -2.8697580000e+00  1.4383220000e+00  8.0245900000e-01
-ENERGY -1.526576272700e+02
-FORCES -1.2882900000e-02  6.1227000000e-03  6.2790000000e-03  6.8796000000e-03 -4.6526000000e-03 -7.9690000000e-04 -3.3827000000e-03  3.1350000000e-03  8.5160000000e-04  7.2995000000e-03 -2.1271000000e-03 -5.8555000000e-03 -1.6296000000e-03 -2.5708000000e-03 -3.8507000000e-03  3.7161000000e-03  9.2700000000e-05  3.3726000000e-03
-
-JOB 357
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0569200000e-01 -6.9254000000e-02  9.4882300000e-01  9.4074900000e-01 -1.0139500000e-01 -1.4471500000e-01 -8.0413000000e-01 -1.7114640000e+00 -2.1560940000e+00 -7.2499000000e-01 -1.2020750000e+00 -1.3495640000e+00 -1.4984290000e+00 -1.2741530000e+00 -2.6489840000e+00
-ENERGY -1.526620292577e+02
-FORCES  3.8876000000e-03 -5.4160000000e-04  2.2804000000e-03  1.2537000000e-03  3.7950000000e-04 -4.6088000000e-03 -5.3008000000e-03  1.4490000000e-04  1.5835000000e-03 -4.3600000000e-04  7.6429000000e-03  6.9498000000e-03 -1.4269000000e-03 -6.5180000000e-03 -8.0430000000e-03  2.0225000000e-03 -1.1076000000e-03  1.8380000000e-03
-
-JOB 358
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8864000000e-02 -4.7388900000e-01  8.2880600000e-01 -8.2241800000e-01 -1.8723300000e-01 -4.5255300000e-01  2.1369060000e+00 -5.3608500000e-01 -1.4252300000e+00  1.8976450000e+00 -1.4511880000e+00 -1.2783560000e+00  1.4336570000e+00 -3.4915000000e-02 -1.0123110000e+00
-ENERGY -1.526566772145e+02
-FORCES  7.5997000000e-03 -4.7143000000e-03 -3.9548000000e-03 -1.0989000000e-03  1.3120000000e-03 -4.9133000000e-03  4.7719000000e-03 -2.6580000000e-04  2.6557000000e-03 -1.6926400000e-02  1.2953000000e-03  1.1744300000e-02  1.3018000000e-03  7.8090000000e-04 -7.2260000000e-04  4.3518000000e-03  1.5919000000e-03 -4.8093000000e-03
-
-JOB 359
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4552300000e-01 -8.4686200000e-01 -2.3787000000e-02 -6.9137400000e-01  6.2919800000e-01  2.0577500000e-01 -6.0075100000e-01  2.4840760000e+00 -3.4117290000e+00 -1.4354540000e+00  2.6991050000e+00 -2.9954770000e+00 -8.1350700000e-01  1.7835440000e+00 -4.0283490000e+00
-ENERGY -1.526530422689e+02
-FORCES -4.2645000000e-03 -3.0920000000e-04  4.9170000000e-04  1.7431000000e-03  3.4831000000e-03 -1.0480000000e-04  2.3716000000e-03 -2.7989000000e-03 -5.9540000000e-04 -3.6505000000e-03 -2.5715000000e-03 -7.6720000000e-04  3.2470000000e-03 -8.9610000000e-04 -1.3188000000e-03  5.5340000000e-04  3.0926000000e-03  2.2945000000e-03
-
-JOB 360
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3946000000e-02  9.5564600000e-01 -7.8710000000e-03 -9.2408200000e-01 -1.8685100000e-01  1.6550100000e-01  1.6153770000e+00 -3.0420700000e-01  2.1098590000e+00  8.5816100000e-01 -2.2108300000e-01  1.5302510000e+00  1.5857650000e+00  4.8037000000e-01  2.6573940000e+00
-ENERGY -1.526568875507e+02
-FORCES  1.7999000000e-03  2.4997000000e-03  1.2458000000e-03 -3.2780000000e-04 -5.9908000000e-03  3.2790000000e-03  6.4670000000e-03  1.4918000000e-03  1.5942000000e-03 -1.0241000000e-02  1.5360000000e-03 -1.2302900000e-02  3.7367000000e-03  1.9721000000e-03  9.9877000000e-03 -1.4347000000e-03 -1.5088000000e-03 -3.8038000000e-03
-
-JOB 361
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1331800000e-01  7.8524100000e-01 -1.9008700000e-01  1.8178000000e-01 -1.8849900000e-01  9.2068300000e-01  2.6317640000e+00 -9.1049800000e-01 -1.1017050000e+00  2.6004680000e+00 -2.2032300000e-01 -4.3920100000e-01  2.3563900000e+00 -1.7011660000e+00 -6.3776000000e-01
-ENERGY -1.526505900109e+02
-FORCES  3.5314000000e-03  2.4063000000e-03 -1.7890000000e-04 -3.1930000000e-04 -3.6376000000e-03  2.3047000000e-03  1.1982000000e-03 -1.4140000000e-04 -4.8156000000e-03 -8.1438000000e-03 -8.8790000000e-04  5.8666000000e-03  3.8460000000e-04  2.4410000000e-04 -1.7779000000e-03  3.3489000000e-03  2.0166000000e-03 -1.3989000000e-03
-
-JOB 362
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8028400000e-01 -6.7390700000e-01  3.5405000000e-01 -6.4076200000e-01  1.5386600000e-01  6.9424900000e-01 -2.2709710000e+00 -2.2679400000e-01  1.9187790000e+00 -2.4045100000e+00  2.0295600000e-01  2.7635950000e+00 -2.3450380000e+00 -1.1616270000e+00  2.1107000000e+00
-ENERGY -1.526604497709e+02
-FORCES -5.3129000000e-03 -1.6414000000e-03  7.2848000000e-03 -2.0337000000e-03  1.6623000000e-03 -1.0582000000e-03  8.0181000000e-03  8.1800000000e-04 -5.8041000000e-03 -2.6242000000e-03 -3.0119000000e-03  3.6645000000e-03  1.0331000000e-03 -2.6267000000e-03 -4.0216000000e-03  9.1960000000e-04  4.7997000000e-03 -6.5400000000e-05
-
-JOB 363
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1767700000e-01  7.0725400000e-01 -4.9149700000e-01 -4.3837000000e-01 -5.2905900000e-01 -6.6645400000e-01  2.6210400000e+00 -6.1025200000e-01  6.1094000000e-02  3.1006290000e+00 -3.0188900000e-01  8.2994900000e-01  1.7198770000e+00 -3.2370500000e-01  2.0951200000e-01
-ENERGY -1.526574613994e+02
-FORCES  3.5768000000e-03 -3.3485000000e-03 -5.5795000000e-03  2.9703000000e-03 -7.3879000000e-03  5.7622000000e-03  1.9115000000e-03  3.8340000000e-03  3.0597000000e-03 -1.4026300000e-02  5.6640000000e-04  3.3230000000e-03 -3.5133000000e-03  1.1010000000e-04 -2.2362000000e-03  9.0810000000e-03  6.2258000000e-03 -4.3292000000e-03
-
-JOB 364
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5834700000e-01  3.7767700000e-01 -8.0323000000e-01 -6.8567400000e-01  1.3313500000e-01  6.5449100000e-01 -2.8264400000e-01 -2.8660400000e+00  1.0049200000e-01 -5.3169000000e-01 -3.3310210000e+00 -6.9825800000e-01 -1.4843900000e-01 -1.9609520000e+00 -1.8064200000e-01
-ENERGY -1.526606341091e+02
-FORCES -4.0272000000e-03  3.8042000000e-03  2.0095000000e-03  1.3413000000e-03 -3.8399000000e-03  3.8130000000e-03  3.4441000000e-03 -9.7470000000e-04 -4.5508000000e-03  2.1420000000e-03  8.7800000000e-03 -2.8836000000e-03  7.1290000000e-04  3.0792000000e-03  2.0429000000e-03 -3.6130000000e-03 -1.0848800000e-02 -4.3110000000e-04
-
-JOB 365
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1846600000e-01  1.0672600000e-01 -4.8472000000e-01  6.8567700000e-01  1.3944400000e-01 -6.5317200000e-01  7.8320000000e-01  2.1129860000e+00  1.8994050000e+00  1.4558000000e-01  1.7000380000e+00  1.3170410000e+00  4.5743900000e-01  3.0052190000e+00  2.0178550000e+00
-ENERGY -1.526589844593e+02
-FORCES  2.4601000000e-03 -1.9435000000e-03 -5.5964000000e-03  4.0809000000e-03  1.4844000000e-03  3.4364000000e-03 -4.4043000000e-03 -6.1650000000e-04  2.6082000000e-03 -4.1392000000e-03 -3.6602000000e-03 -3.8636000000e-03  1.6094000000e-03  8.5585000000e-03  5.0125000000e-03  3.9320000000e-04 -3.8226000000e-03 -1.5971000000e-03
-
-JOB 366
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7257900000e-01 -4.4084000000e-01 -3.5357200000e-01 -1.1863300000e-01 -3.2361000000e-02  9.4926900000e-01  1.5682200000e-01 -5.6723200000e-01  2.5706330000e+00 -3.9655000000e-02 -1.1101180000e+00  3.3341130000e+00  6.0747700000e-01  1.9727400000e-01  2.9293420000e+00
-ENERGY -1.526567742284e+02
-FORCES -2.0251000000e-03 -6.6910000000e-03  1.4490500000e-02  2.0102000000e-03  7.5520000000e-04  1.3564000000e-03  1.9690000000e-03  6.6780000000e-03 -3.7589000000e-03 -5.0790000000e-04 -1.2920000000e-04 -6.2346000000e-03  2.3144000000e-03  3.4082000000e-03 -2.6126000000e-03 -3.7607000000e-03 -4.0212000000e-03 -3.2409000000e-03
-
-JOB 367
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1646300000e-01 -1.1742900000e-01  8.5381600000e-01 -2.2315800000e-01  9.3026500000e-01 -3.2254000000e-02 -2.9840050000e+00  1.3507500000e-01 -9.2150000000e-01 -2.9429450000e+00 -8.0868800000e-01 -1.0759610000e+00 -2.8861970000e+00  2.2763100000e-01  2.6181000000e-02
-ENERGY -1.526549488471e+02
-FORCES  8.1240000000e-04  4.7216000000e-03  5.7150000000e-04 -3.1651000000e-03  2.0380000000e-04 -3.4900000000e-03  1.5967000000e-03 -4.0094000000e-03  2.0961000000e-03  4.7499000000e-03 -5.8205000000e-03  3.7380000000e-03 -2.3278000000e-03  3.3869000000e-03  1.3320000000e-04 -1.6662000000e-03  1.5176000000e-03 -3.0487000000e-03
-
-JOB 368
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4934300000e-01  3.9895300000e-01  1.8890300000e-01  5.9948300000e-01  4.0312100000e-01  6.2796900000e-01 -2.5111000000e+00  4.2525000000e-01 -1.5094760000e+00 -2.2223720000e+00 -3.7023000000e-01 -1.9567780000e+00 -3.2737100000e+00  7.1784400000e-01 -2.0085210000e+00
-ENERGY -1.526590872271e+02
-FORCES -3.5871000000e-03  4.1443000000e-03  1.3258000000e-03  6.7037000000e-03 -2.8177000000e-03  2.6231000000e-03 -2.7158000000e-03 -9.3300000000e-04 -2.2749000000e-03 -5.0490000000e-04 -2.5576000000e-03 -4.7422000000e-03 -3.2979000000e-03  3.6680000000e-03  1.5889000000e-03  3.4020000000e-03 -1.5040000000e-03  1.4793000000e-03
-
-JOB 369
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1631900000e-01 -9.4496000000e-02  9.4539500000e-01  1.9395200000e-01  9.2879900000e-01 -1.2628300000e-01  1.2245180000e+00  2.0506890000e+00 -1.5318850000e+00  1.2722200000e+00  1.6591420000e+00 -2.4040350000e+00  1.4738350000e+00  2.9651540000e+00 -1.6654020000e+00
-ENERGY -1.526600568652e+02
-FORCES  3.2910000000e-03  6.6985000000e-03 -1.1453000000e-03  8.5020000000e-04  1.5809000000e-03 -3.2332000000e-03 -4.4757000000e-03 -6.4164000000e-03  5.2034000000e-03  8.8020000000e-04 -1.3058000000e-03 -4.4509000000e-03  4.1790000000e-04  3.7039000000e-03  3.2662000000e-03 -9.6360000000e-04 -4.2610000000e-03  3.5980000000e-04
-
-JOB 370
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5360900000e-01 -7.6421200000e-01  3.5560000000e-01 -9.2286300000e-01 -2.5369400000e-01 -1.3985000000e-02  1.5428480000e+00  1.5752900000e-01 -2.1815270000e+00  1.3065880000e+00 -7.6398000000e-01 -2.2875170000e+00  1.0897820000e+00  4.3124000000e-01 -1.3840020000e+00
-ENERGY -1.526570681576e+02
-FORCES  1.8354000000e-03 -2.4803000000e-03 -6.1838000000e-03 -2.4939000000e-03  3.5398000000e-03 -3.7706000000e-03  5.0981000000e-03 -4.2680000000e-04  5.5000000000e-04 -1.2432800000e-02 -2.4986000000e-03  1.2719300000e-02  1.4130000000e-03  1.0881000000e-03  1.3910000000e-04  6.5803000000e-03  7.7790000000e-04 -3.4540000000e-03
-
-JOB 371
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7196600000e-01 -8.3964500000e-01  4.2621200000e-01  6.0186200000e-01 -2.1186700000e-01 -7.1351700000e-01  2.9963450000e+00 -1.1326040000e+00  7.5972800000e-01  3.3500920000e+00 -3.3550100000e-01  3.6511300000e-01  2.7333240000e+00 -8.6771300000e-01  1.6411390000e+00
-ENERGY -1.526563832575e+02
-FORCES  4.3289000000e-03 -6.7022000000e-03 -1.0626000000e-03 -9.1060000000e-04  3.7479000000e-03 -8.1100000000e-04 -3.1883000000e-03  2.7018000000e-03  1.3341000000e-03 -3.7940000000e-04  6.0897000000e-03  3.1316000000e-03 -1.4222000000e-03 -3.7160000000e-03  6.7380000000e-04  1.5716000000e-03 -2.1213000000e-03 -3.2659000000e-03
-
-JOB 372
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1628300000e-01  4.2996000000e-02  2.7351300000e-01  1.4052400000e-01 -9.1982500000e-01 -2.2451400000e-01 -5.8770000000e-03 -2.3905130000e+00  1.9780850000e+00  9.0398300000e-01 -2.2493470000e+00  2.2397320000e+00 -4.8769900000e-01 -1.6721850000e+00  2.3880670000e+00
-ENERGY -1.526566689206e+02
-FORCES -3.3371000000e-03 -7.6047000000e-03  1.2775000000e-03  3.2907000000e-03  6.9040000000e-04  3.0760000000e-04  4.0700000000e-04  5.5900000000e-03 -1.6642000000e-03  2.9819000000e-03  6.2617000000e-03  3.3163000000e-03 -3.7556000000e-03 -1.5296000000e-03 -1.2660000000e-03  4.1310000000e-04 -3.4078000000e-03 -1.9712000000e-03
-
-JOB 373
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5563100000e-01 -2.8661000000e-01 -7.2481700000e-01  5.7053300000e-01 -3.4228000000e-02  7.6782300000e-01  2.9920650000e+00  7.4915500000e-01 -9.3961200000e-01  3.3400760000e+00  1.3452000000e+00 -1.6028240000e+00  3.1207880000e+00  1.2106460000e+00 -1.1094500000e-01
-ENERGY -1.526570557538e+02
-FORCES  7.9946000000e-03 -6.4010000000e-04 -1.7754000000e-03 -5.6147000000e-03 -7.4380000000e-04  2.7091000000e-03 -2.4373000000e-03  7.4510000000e-04 -1.3166000000e-03  1.9245000000e-03  5.8795000000e-03  4.4240000000e-04 -1.3045000000e-03 -2.5203000000e-03  2.9679000000e-03 -5.6270000000e-04 -2.7203000000e-03 -3.0274000000e-03
-
-JOB 374
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0335900000e-01 -6.4029700000e-01  5.0287300000e-01  8.8810100000e-01 -6.3414000000e-02  3.5140800000e-01 -1.5011680000e+00 -1.6051800000e+00  1.6675160000e+00 -1.4994010000e+00 -2.2681040000e+00  9.7703800000e-01 -2.4118890000e+00 -1.3151350000e+00  1.7194060000e+00
-ENERGY -1.526586318703e+02
-FORCES -5.2951000000e-03 -6.7474000000e-03  1.1824100000e-02  3.9861000000e-03 -1.0240000000e-04 -1.0000100000e-02 -2.7946000000e-03 -5.3540000000e-04 -9.6050000000e-04 -3.4629000000e-03  1.7508000000e-03 -1.7852000000e-03  2.6935000000e-03  8.0096000000e-03  1.7757000000e-03  4.8730000000e-03 -2.3752000000e-03 -8.5390000000e-04
-
-JOB 375
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9234600000e-01  5.2152200000e-01 -1.2819900000e-01  2.8285900000e-01 -7.3721900000e-01  5.4104600000e-01 -1.4722120000e+00  1.3485050000e+00  1.8487560000e+00 -1.8070610000e+00  2.1503480000e+00  1.4473140000e+00 -8.3286100000e-01  1.0141050000e+00  1.2197590000e+00
-ENERGY -1.526589608327e+02
-FORCES  7.1550000000e-04 -1.9647000000e-03  3.0335000000e-03 -6.1898000000e-03 -1.1523000000e-03  3.0583000000e-03 -1.3849000000e-03  5.7403000000e-03 -2.3472000000e-03  6.3322000000e-03 -6.3473000000e-03 -1.2940400000e-02  2.1412000000e-03 -2.4080000000e-03  2.7600000000e-04 -1.6143000000e-03  6.1319000000e-03  8.9199000000e-03
-
-JOB 376
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5553000000e-01 -6.4632800000e-01 -2.6224400000e-01  8.3827900000e-01 -4.0323700000e-01 -2.2565600000e-01  9.3452500000e-01  2.6461830000e+00  4.3462500000e-01  4.8466100000e-01  2.7743010000e+00  1.2697540000e+00  7.6129700000e-01  1.7328830000e+00  2.0635500000e-01
-ENERGY -1.526589862741e+02
-FORCES -1.7499000000e-03 -1.1488000000e-03 -1.9200000000e-03  4.1136000000e-03  1.4376000000e-03  1.4641000000e-03 -4.2973000000e-03  4.5777000000e-03  1.1881000000e-03 -7.2223000000e-03 -9.0850000000e-03  1.2221000000e-03  1.5500000000e-03  6.2060000000e-04 -2.1622000000e-03  7.6058000000e-03  3.5978000000e-03  2.0780000000e-04
-
-JOB 377
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0257900000e-01  3.9121800000e-01  8.6755900000e-01 -1.9005400000e-01  7.4036300000e-01 -5.7617300000e-01  6.5582300000e-01 -1.4949740000e+00 -3.2337240000e+00  1.0332050000e+00 -7.0070000000e-01 -2.8556450000e+00 -2.9019900000e-01 -1.3721720000e+00 -3.1550160000e+00
-ENERGY -1.526540598969e+02
-FORCES -5.4760000000e-04  4.6496000000e-03  3.2192000000e-03 -5.2630000000e-04 -1.6398000000e-03 -3.8805000000e-03  1.3715000000e-03 -3.9823000000e-03  9.9930000000e-04 -2.2760000000e-03  2.9622000000e-03  4.4206000000e-03 -1.6385000000e-03 -2.0493000000e-03 -3.2571000000e-03  3.6169000000e-03  5.9500000000e-05 -1.5015000000e-03
-
-JOB 378
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2066900000e-01  1.8292000000e-01 -1.8746100000e-01 -3.8866100000e-01  8.6064900000e-01  1.5639000000e-01 -9.8762000000e-01 -2.7062890000e+00 -1.5999610000e+00 -2.3576800000e-01 -2.6877130000e+00 -1.0078420000e+00 -7.1947300000e-01 -2.1688360000e+00 -2.3452620000e+00
-ENERGY -1.526546077730e+02
-FORCES  3.6440000000e-04  5.3961000000e-03  7.7700000000e-04 -4.1152000000e-03 -2.1177000000e-03  4.6900000000e-05  2.1561000000e-03 -3.4727000000e-03 -7.8000000000e-04  4.2606000000e-03  6.1047000000e-03  1.9236000000e-03 -1.7241000000e-03 -2.8457000000e-03 -3.3589000000e-03 -9.4190000000e-04 -3.0647000000e-03  1.3914000000e-03
-
-JOB 379
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4265000000e-02 -2.3130100000e-01 -9.2724700000e-01  8.4844800000e-01  4.3393200000e-01  8.9842000000e-02 -7.0442100000e-01  4.5576000000e-02 -2.9790250000e+00 -8.2184100000e-01 -4.6481200000e-01 -3.7802420000e+00  1.9170800000e-01  3.7732100000e-01 -3.0349720000e+00
-ENERGY -1.526569089221e+02
-FORCES -3.9420000000e-04 -2.5200000000e-05 -5.8162000000e-03  5.6498000000e-03  2.0165000000e-03  6.6750000000e-03 -3.0733000000e-03 -1.4721000000e-03 -1.7460000000e-03  8.8640000000e-04 -1.6620000000e-04 -6.3533000000e-03  8.7180000000e-04  3.1415000000e-03  3.4644000000e-03 -3.9405000000e-03 -3.4945000000e-03  3.7760000000e-03
-
-JOB 380
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8137000000e-02 -4.9751400000e-01 -8.1298500000e-01 -9.3693700000e-01  1.8346900000e-01  6.8708000000e-02  1.7395810000e+00  1.9680640000e+00  9.0639900000e-01  1.2227540000e+00  1.4644360000e+00  2.7752600000e-01  2.6464480000e+00  1.8423210000e+00  6.2709000000e-01
-ENERGY -1.526590570376e+02
-FORCES -2.8264000000e-03 -2.0260000000e-04  6.0000000000e-04  1.9550000000e-04  3.4846000000e-03  4.0734000000e-03  4.9006000000e-03 -1.3216000000e-03 -1.2550000000e-03 -5.1885000000e-03 -9.2492000000e-03 -4.4042000000e-03  6.2118000000e-03  7.8139000000e-03  9.4730000000e-04 -3.2931000000e-03 -5.2520000000e-04  3.8500000000e-05
-
-JOB 381
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5663900000e-01 -2.5500000000e-03  3.2671000000e-02 -2.6802000000e-01 -4.8798900000e-01  7.7862900000e-01 -2.1862690000e+00  1.9417660000e+00  1.1741760000e+00 -2.8711170000e+00  1.3578370000e+00  8.4822700000e-01 -1.3835880000e+00  1.6249720000e+00  7.5995900000e-01
-ENERGY -1.526599937763e+02
-FORCES  4.9390000000e-03 -4.2523000000e-03  2.2438000000e-03 -4.5328000000e-03 -3.7600000000e-04  2.6070000000e-04  5.8140000000e-04  3.8253000000e-03 -4.0374000000e-03  2.8834000000e-03 -4.1319000000e-03 -6.0027000000e-03  2.1557000000e-03  1.5868000000e-03  2.0777000000e-03 -6.0267000000e-03  3.3481000000e-03  5.4579000000e-03
-
-JOB 382
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5728700000e-01  2.2587000000e-02  9.4391900000e-01  8.6088500000e-01  1.5060600000e-01 -3.9041800000e-01 -1.6566720000e+00  1.5873890000e+00 -1.6016700000e+00 -2.0541350000e+00  2.0941670000e+00 -8.9355200000e-01 -1.2248270000e+00  8.5601900000e-01 -1.1602630000e+00
-ENERGY -1.526600011103e+02
-FORCES  1.2260000000e-03  3.9844000000e-03  5.9680000000e-04  5.0790000000e-04  1.6860000000e-04 -4.4423000000e-03 -4.5457000000e-03 -8.9980000000e-04  2.4598000000e-03  5.3756000000e-03 -6.0400000000e-03  1.0655400000e-02  7.2440000000e-04 -8.6330000000e-04 -2.0416000000e-03 -3.2883000000e-03  3.6501000000e-03 -7.2282000000e-03
-
-JOB 383
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7581800000e-01  6.7384200000e-01  5.6650600000e-01 -9.1939000000e-01 -4.8360000000e-02  2.6194700000e-01  2.0086020000e+00 -1.9342920000e+00  1.4947970000e+00  1.2484180000e+00 -1.5530180000e+00  1.0554980000e+00  2.7522510000e+00 -1.4245370000e+00  1.1732890000e+00
-ENERGY -1.526598080767e+02
-FORCES -4.4656000000e-03  5.3739000000e-03  1.5817000000e-03 -9.5250000000e-04 -4.8430000000e-03 -2.4510000000e-03  4.8530000000e-03  7.8400000000e-05 -8.1170000000e-04 -2.6293000000e-03  4.4726000000e-03 -6.3980000000e-03  5.4915000000e-03 -3.8887000000e-03  6.1885000000e-03 -2.2970000000e-03 -1.1931000000e-03  1.8905000000e-03
-
-JOB 384
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3157700000e-01 -8.7218400000e-01  3.1921500000e-01 -8.7795100000e-01 -1.0401200000e-01 -3.6690000000e-01 -1.1778180000e+00  1.4875640000e+00  2.1663110000e+00 -1.1947550000e+00  1.8799830000e+00  1.2934120000e+00 -7.6522000000e-01  6.3351000000e-01  2.0375220000e+00
-ENERGY -1.526556891439e+02
-FORCES -2.7082000000e-03 -2.8624000000e-03 -7.0230000000e-04 -2.2492000000e-03  5.2316000000e-03  6.3760000000e-04  4.0682000000e-03  1.9600000000e-03  3.2680000000e-03  7.4480000000e-03 -4.3538000000e-03 -1.0462000000e-02 -3.3402000000e-03  7.0030000000e-04  2.3323000000e-03 -3.2186000000e-03 -6.7570000000e-04  4.9265000000e-03
-
-JOB 385
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2037600000e-01 -5.7047400000e-01  6.4348700000e-01  7.7085000000e-02 -5.4077000000e-01 -7.8603900000e-01  1.4931800000e-01 -1.8274740000e+00 -2.1045230000e+00 -5.9385400000e-01 -1.4970700000e+00 -2.6092600000e+00 -2.3012800000e-01 -2.4842080000e+00 -1.5206120000e+00
-ENERGY -1.526578784733e+02
-FORCES  1.8529000000e-03 -1.0190300000e-02 -9.3791000000e-03  1.0185000000e-03  4.5340000000e-04 -3.1433000000e-03 -4.8505000000e-03  5.6756000000e-03  7.8429000000e-03 -4.0010000000e-03 -1.9280000000e-03  3.7170000000e-04  4.3305000000e-03 -5.2680000000e-04  5.2504000000e-03  1.6495000000e-03  6.5160000000e-03 -9.4260000000e-04
-
-JOB 386
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5017100000e-01  4.3199100000e-01  8.2618000000e-02 -1.8260900000e-01  7.3150000000e-03 -9.3959200000e-01 -1.0672010000e+00 -5.5421200000e-01 -2.5713770000e+00 -1.7676300000e+00 -9.3369900000e-01 -3.1020570000e+00 -4.3476500000e-01 -2.2388700000e-01 -3.2094540000e+00
-ENERGY -1.526578697978e+02
-FORCES -2.6669000000e-03 -1.2831000000e-03 -7.4266000000e-03 -3.0377000000e-03 -1.5617000000e-03 -2.1447000000e-03  6.8213000000e-03  3.7622000000e-03  5.1216000000e-03 -2.9065000000e-03 -2.0028000000e-03 -1.3561000000e-03  4.0171000000e-03  1.9164000000e-03  4.9750000000e-04 -2.2272000000e-03 -8.3100000000e-04  5.3083000000e-03
-
-JOB 387
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2034000000e-01 -1.6121000000e-02 -8.5981800000e-01  9.1188000000e-01  2.2641800000e-01 -1.8286900000e-01 -1.9142140000e+00 -7.5444000000e-02 -1.9715860000e+00 -2.1360290000e+00 -3.3465200000e-01 -2.8659240000e+00 -2.4187130000e+00  7.2401200000e-01 -1.8213110000e+00
-ENERGY -1.526606349444e+02
-FORCES -5.2408000000e-03 -1.1095000000e-03 -9.0033000000e-03  6.7157000000e-03  2.5110000000e-03  7.2450000000e-03 -3.5058000000e-03 -7.3410000000e-04 -9.1910000000e-04 -1.0074000000e-03  1.2878000000e-03  5.3810000000e-04  2.0850000000e-04  2.1715000000e-03  4.2078000000e-03  2.8299000000e-03 -4.1267000000e-03 -2.0685000000e-03
-
-JOB 388
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6431500000e-01  4.0249800000e-01  7.8835400000e-01  1.8497400000e-01 -9.3382900000e-01  9.9903000000e-02  2.1513410000e+00 -1.9183640000e+00  1.9960400000e+00  1.9274810000e+00 -2.1687140000e+00  1.0996900000e+00  1.3071860000e+00 -1.8312110000e+00  2.4388020000e+00
-ENERGY -1.526527899861e+02
-FORCES  3.5157000000e-03 -1.0100000000e-03  3.9849000000e-03 -2.9972000000e-03 -1.8014000000e-03 -3.3339000000e-03  1.8000000000e-06  1.9131000000e-03  5.0100000000e-05 -2.9127000000e-03 -2.3438000000e-03 -1.0742000000e-03 -1.1891000000e-03  2.4279000000e-03  3.6758000000e-03  3.5815000000e-03  8.1420000000e-04 -3.3027000000e-03
-
-JOB 389
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0532400000e-01 -7.3616200000e-01  5.3016500000e-01 -5.4196200000e-01  7.3792600000e-01  2.7924000000e-01  2.6720910000e+00  5.1703900000e-01  1.7508800000e-01  3.4587700000e+00  7.3590000000e-03  3.6898200000e-01  1.9477490000e+00 -4.7876000000e-02  4.4422200000e-01
-ENERGY -1.526564208076e+02
-FORCES -1.5617000000e-03  4.6174000000e-03  1.0155000000e-03  5.1734000000e-03  3.8210000000e-03 -1.7269000000e-03  1.5701000000e-03 -4.5371000000e-03 -1.2270000000e-03 -9.0489000000e-03 -2.9005000000e-03 -8.3860000000e-04 -4.8361000000e-03  4.1520000000e-04 -4.5140000000e-04  8.7032000000e-03 -1.4160000000e-03  3.2284000000e-03
-
-JOB 390
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7260000000e-03  9.4267100000e-01  1.6604500000e-01 -9.2134700000e-01 -2.1163000000e-01 -1.5021700000e-01  3.6749990000e+00 -3.8666600000e-01 -9.2522800000e-01  3.1682110000e+00 -1.0477340000e+00 -4.5364900000e-01  3.7296190000e+00 -7.1995700000e-01 -1.8208640000e+00
-ENERGY -1.526556100802e+02
-FORCES -3.5383000000e-03  4.0919000000e-03  4.0200000000e-05 -8.9650000000e-04 -4.0470000000e-03 -4.3150000000e-04  3.8885000000e-03  7.6850000000e-04  4.7300000000e-04 -3.7631000000e-03 -4.0460000000e-03 -1.3660000000e-03  4.0598000000e-03  1.9612000000e-03 -1.9970000000e-03  2.4950000000e-04  1.2714000000e-03  3.2812000000e-03
-
-JOB 391
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8125900000e-01 -1.1478000000e-02 -5.5293200000e-01 -5.7497000000e-02  8.2642100000e-01  4.7953500000e-01 -1.7208800000e+00 -8.2968200000e-01 -2.3668980000e+00 -2.6623900000e+00 -6.5865200000e-01 -2.3900920000e+00 -1.5208960000e+00 -1.1891300000e+00 -3.2312100000e+00
-ENERGY -1.526589103783e+02
-FORCES -4.3062000000e-03  8.1140000000e-04 -4.2457000000e-03  3.2556000000e-03  3.2844000000e-03  7.9680000000e-03 -5.1190000000e-04 -2.9043000000e-03 -2.1973000000e-03 -5.7920000000e-04 -2.6007000000e-03 -5.5312000000e-03  4.7032000000e-03 -3.1100000000e-05  8.4710000000e-04 -2.5615000000e-03  1.4404000000e-03  3.1591000000e-03
-
-JOB 392
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0682700000e-01 -5.3884500000e-01  6.0745800000e-01  2.6380000000e-02 -4.8121000000e-01 -8.2702700000e-01 -1.3464200000e+00  1.1181210000e+00  3.2546530000e+00 -1.5855600000e+00  3.2027400000e-01  3.7263340000e+00 -1.7722830000e+00  1.0295960000e+00  2.4019880000e+00
-ENERGY -1.526560574560e+02
-FORCES  3.7160000000e-03 -3.8938000000e-03 -1.1036000000e-03 -2.6124000000e-03  1.5202000000e-03 -3.2015000000e-03 -1.8330000000e-04  1.9315000000e-03  3.6477000000e-03 -2.9198000000e-03 -2.9517000000e-03 -3.0238000000e-03  1.3705000000e-03  2.8736000000e-03 -1.8301000000e-03  6.2900000000e-04  5.2020000000e-04  5.5113000000e-03
-
-JOB 393
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3483900000e-01  1.3869000000e-01  1.5189600000e-01  4.0172000000e-02 -4.7892500000e-01 -8.2779800000e-01  6.7371100000e-01  2.4315290000e+00 -1.2155120000e+00  1.2064000000e-02  2.9089940000e+00 -7.1503100000e-01  5.8109700000e-01  1.5226520000e+00 -9.2986000000e-01
-ENERGY -1.526577508024e+02
-FORCES -4.4304000000e-03  6.9300000000e-05 -1.7957000000e-03  5.2727000000e-03  3.8110000000e-04 -1.3812000000e-03  8.6230000000e-04  6.7504000000e-03  3.6726000000e-03 -4.2873000000e-03 -1.0422700000e-02  1.0100300000e-02  1.1206000000e-03 -1.0797000000e-03 -1.8491000000e-03  1.4620000000e-03  4.3015000000e-03 -8.7469000000e-03
-
-JOB 394
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6537900000e-01 -3.8570400000e-01  1.3632100000e-01 -1.5694900000e-01  9.4419300000e-01 -9.9590000000e-03 -1.4510000000e-01  2.5985990000e+00 -6.0546000000e-01 -9.1703600000e-01  2.2916170000e+00 -1.0809690000e+00 -4.8897700000e-01  2.9214420000e+00  2.2745800000e-01
-ENERGY -1.526534739063e+02
-FORCES  4.5120000000e-04  1.5421200000e-02 -2.7156000000e-03  2.1140000000e-03  4.6852000000e-03 -1.5456000000e-03 -7.1067000000e-03 -7.2405000000e-03  2.7748000000e-03 -2.6019000000e-03 -3.0669000000e-03 -1.0144000000e-03  5.0325000000e-03 -2.5585000000e-03  6.6636000000e-03  2.1109000000e-03 -7.2405000000e-03 -4.1627000000e-03
-
-JOB 395
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9040600000e-01 -3.7896800000e-01 -7.8752700000e-01 -6.0922900000e-01 -2.2647800000e-01  7.0269400000e-01  2.7231840000e+00  2.3368900000e-01 -4.6096100000e-01  1.8052910000e+00  2.6487500000e-01 -1.9127200000e-01  2.8260120000e+00  9.8172700000e-01 -1.0492620000e+00
-ENERGY -1.526610937695e+02
-FORCES  1.2284000000e-03 -2.6802000000e-03 -3.5340000000e-04  9.6520000000e-04  2.1859000000e-03  4.4090000000e-03  1.5929000000e-03  4.3400000000e-04 -4.5118000000e-03 -1.1454200000e-02  1.3447000000e-03  2.2904000000e-03  8.9880000000e-03  1.2106000000e-03 -3.1583000000e-03 -1.3204000000e-03 -2.4951000000e-03  1.3241000000e-03
-
-JOB 396
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7037300000e-01  3.1722400000e-01 -2.4093900000e-01 -3.7331300000e-01  7.0346300000e-01  5.3104600000e-01 -1.1241870000e+00  1.6611290000e+00  1.7524970000e+00 -2.0425370000e+00  1.4548650000e+00  1.9266220000e+00 -1.1325260000e+00  2.5768980000e+00  1.4740550000e+00
-ENERGY -1.526592091965e+02
-FORCES -5.4661000000e-03  1.0733000000e-02  1.2017400000e-02 -3.1083000000e-03  9.6820000000e-04  1.5120000000e-03  4.3390000000e-03 -4.3199000000e-03 -8.5870000000e-03 -1.2366000000e-03 -3.8523000000e-03 -3.8857000000e-03  4.9331000000e-03  2.4236000000e-03 -1.2062000000e-03  5.3890000000e-04 -5.9525000000e-03  1.4950000000e-04
-
-JOB 397
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3464100000e-01  4.6852100000e-01 -9.7650000000e-03  1.6729300000e-01 -7.9874800000e-01 -5.0024600000e-01  1.5807480000e+00 -1.8476290000e+00 -1.6580860000e+00  2.0339760000e+00 -1.2638540000e+00 -2.2663810000e+00  1.0605250000e+00 -2.4223460000e+00 -2.2196030000e+00
-ENERGY -1.526591013012e+02
-FORCES  8.9530000000e-03 -6.2596000000e-03 -5.1026000000e-03 -2.6831000000e-03  4.7600000000e-04  1.5520000000e-04 -6.8085000000e-03  3.7897000000e-03  3.2339000000e-03  1.2763000000e-03  7.9760000000e-04 -5.0719000000e-03 -2.2921000000e-03 -2.6765000000e-03  3.2994000000e-03  1.5543000000e-03  3.8728000000e-03  3.4859000000e-03
-
-JOB 398
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7141400000e-01 -2.2979000000e-01 -6.4236400000e-01 -7.2968500000e-01  3.3119000000e-01 -5.2355000000e-01 -1.0949650000e+00  1.0982320000e+00  2.1752280000e+00 -5.5743100000e-01  1.2096960000e+00  2.9593600000e+00 -5.5948200000e-01  5.6077900000e-01  1.5915900000e+00
-ENERGY -1.526598498434e+02
-FORCES -2.0179000000e-03  3.8007000000e-03  2.4968000000e-03 -4.1230000000e-03  1.6169000000e-03  1.2329000000e-03  4.7293000000e-03 -2.4493000000e-03  2.5330000000e-03  8.2971000000e-03 -5.4506000000e-03 -7.7024000000e-03 -4.8250000000e-04 -9.6580000000e-04 -2.9102000000e-03 -6.4030000000e-03  3.4481000000e-03  4.3498000000e-03
-
-JOB 399
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7547600000e-01  2.0589500000e-01  5.2199200000e-01 -7.8825000000e-02 -9.5249000000e-01  5.2730000000e-02 -1.6871100000e-01 -3.6809600000e-01 -2.7589490000e+00 -3.4085600000e-01  5.0961500000e-01 -3.0998610000e+00 -6.1780000000e-02 -2.4261500000e-01 -1.8160530000e+00
-ENERGY -1.526598567746e+02
-FORCES  3.0438000000e-03 -1.9310000000e-03  7.5700000000e-04 -4.2801000000e-03 -1.6852000000e-03 -2.0551000000e-03  1.5450000000e-03  6.4839000000e-03 -4.1398000000e-03  4.4320000000e-04  6.7062000000e-03  1.1671000000e-02  8.2390000000e-04 -2.3114000000e-03  7.6900000000e-04 -1.5759000000e-03 -7.2625000000e-03 -7.0021000000e-03
-
-JOB 400
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4629800000e-01  6.7047700000e-01 -6.3720500000e-01 -9.1647100000e-01  1.8715500000e-01  2.0319000000e-01  7.1141500000e-01  2.3442500000e+00 -9.1591200000e-01  5.8114300000e-01  2.8036810000e+00 -1.7454810000e+00  3.1171300000e-01  2.9153650000e+00 -2.5994100000e-01
-ENERGY -1.526570244128e+02
-FORCES  2.9608000000e-03  1.6388400000e-02 -7.5993000000e-03 -2.4974000000e-03 -7.4747000000e-03  1.3837000000e-03  2.7230000000e-03  7.9470000000e-04 -1.0620000000e-04 -3.7003000000e-03 -4.5579000000e-03  6.3458000000e-03 -5.8680000000e-04 -3.1836000000e-03  4.9201000000e-03  1.1007000000e-03 -1.9670000000e-03 -4.9441000000e-03
-
-JOB 401
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5459800000e-01 -2.5650000000e-03  7.0481000000e-02  2.4576500000e-01 -9.2442100000e-01  3.5752000000e-02 -2.7332890000e+00  4.1078900000e-01  1.6671900000e-01 -3.1716610000e+00  6.9872100000e-01 -6.3400400000e-01 -3.4471070000e+00  2.0007300000e-01  7.6862800000e-01
-ENERGY -1.526610873506e+02
-FORCES -1.1290300000e-02 -5.0150000000e-04  1.4171000000e-03  9.4734000000e-03 -1.7634000000e-03 -1.9638000000e-03 -1.8560000000e-03  2.5765000000e-03  1.6670000000e-04  4.5790000000e-04  2.1300000000e-04 -2.3910000000e-04  1.0269000000e-03 -1.8408000000e-03  4.6231000000e-03  2.1881000000e-03  1.3162000000e-03 -4.0041000000e-03
-
-JOB 402
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2320100000e-01 -6.5936000000e-01 -6.8286000000e-01 -9.1463500000e-01 -9.7022000000e-02  2.6506800000e-01  9.8312300000e-01 -2.1393760000e+00  1.4297000000e+00  6.2244300000e-01 -1.3377030000e+00  1.0509360000e+00  8.5587700000e-01 -2.0375300000e+00  2.3729220000e+00
-ENERGY -1.526586418130e+02
-FORCES -2.6025000000e-03 -3.7047000000e-03 -2.9740000000e-03  2.3210000000e-04  2.0925000000e-03  8.0205000000e-03  6.5747000000e-03 -1.2507000000e-03  6.6900000000e-04 -3.4522000000e-03  1.3240600000e-02 -3.3408000000e-03  1.4400000000e-05 -1.1141100000e-02  9.1410000000e-04 -7.6650000000e-04  7.6330000000e-04 -3.2886000000e-03
-
-JOB 403
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4766700000e-01 -5.1839500000e-01  2.9747700000e-01  3.6545600000e-01  5.9399000000e-01 -6.5562900000e-01  2.8731320000e+00  4.0342600000e-01 -1.6882380000e+00  2.5453840000e+00  1.2997510000e+00 -1.7618170000e+00  2.6419820000e+00 -5.8330000000e-03 -2.5220890000e+00
-ENERGY -1.526562051315e+02
-FORCES  7.9238000000e-03 -5.1380000000e-04 -2.1069000000e-03 -4.7544000000e-03  1.0479000000e-03  5.2650000000e-04 -3.3162000000e-03  3.0420000000e-04  1.3536000000e-03  4.0220000000e-04  1.9567000000e-03 -5.3797000000e-03 -8.0250000000e-04 -4.9768000000e-03  1.3383000000e-03  5.4710000000e-04  2.1817000000e-03  4.2682000000e-03
-
-JOB 404
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3521800000e-01  5.6521100000e-01  2.3711500000e-01 -7.4892600000e-01  5.9305100000e-01 -6.0271000000e-02  2.5258230000e+00  1.3059210000e+00  9.4925000000e-02  3.1350030000e+00  1.7860140000e+00  6.5585500000e-01  1.9553070000e+00  1.9808930000e+00 -2.7271100000e-01
-ENERGY -1.526560939097e+02
-FORCES  6.5063000000e-03  3.1781000000e-03  2.4843000000e-03 -8.6790000000e-03  2.4004000000e-03 -4.1294000000e-03  4.4501000000e-03 -6.0330000000e-04 -7.8100000000e-05  2.1466000000e-03  3.4868000000e-03  2.3130000000e-04 -3.0972000000e-03 -1.7804000000e-03 -3.6595000000e-03 -1.3267000000e-03 -6.6816000000e-03  5.1514000000e-03
-
-JOB 405
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0663500000e-01  7.4203200000e-01 -5.9518800000e-01 -5.5631200000e-01  2.1174300000e-01  7.4960900000e-01  4.4432800000e-01 -3.9483810000e+00 -4.9273500000e-01  3.4546300000e-01 -3.7502240000e+00 -1.4239660000e+00  1.3601900000e+00 -4.2103910000e+00 -3.9904200000e-01
-ENERGY -1.526535134168e+02
-FORCES -3.1404000000e-03  3.3582000000e-03  1.4269000000e-03  6.0180000000e-04 -3.3342000000e-03  2.1447000000e-03  2.3831000000e-03 -3.2480000000e-04 -3.1577000000e-03  3.4666000000e-03  1.5261000000e-03 -3.3842000000e-03  3.3500000000e-04 -1.7837000000e-03  3.3182000000e-03 -3.6461000000e-03  5.5840000000e-04 -3.4780000000e-04
-
-JOB 406
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1441600000e-01 -6.0636000000e-01  5.3285700000e-01 -2.0000000000e-02 -3.7712100000e-01 -8.7955200000e-01  6.1099500000e-01  2.7726550000e+00 -1.0740800000e-01  2.6633400000e-01  1.8952610000e+00  5.8786000000e-02  2.0737200000e-01  3.0363940000e+00 -9.3430700000e-01
-ENERGY -1.526605629938e+02
-FORCES -5.5490000000e-04 -1.8218000000e-03 -1.3249000000e-03  2.4963000000e-03  2.1867000000e-03 -3.5380000000e-03 -9.4020000000e-04  1.6145000000e-03  4.4989000000e-03 -3.9998000000e-03 -1.0006200000e-02 -7.7790000000e-04  1.6662000000e-03  9.4972000000e-03 -8.7010000000e-04  1.3324000000e-03 -1.4704000000e-03  2.0120000000e-03
-
-JOB 407
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1353300000e-01  6.6936300000e-01 -5.4513800000e-01 -1.6180000000e-03  3.7355600000e-01  8.8129800000e-01 -5.9729200000e-01  2.1636620000e+00  1.5378160000e+00 -1.2904320000e+00  2.5451400000e+00  9.9905400000e-01 -1.0615110000e+00  1.6374120000e+00  2.1888110000e+00
-ENERGY -1.526529335889e+02
-FORCES -2.3750000000e-03  1.6464200000e-02  6.8870000000e-03 -8.1180000000e-04 -2.2699000000e-03 -1.3186000000e-03 -1.3221000000e-03 -6.7531000000e-03  3.2292000000e-03 -4.1044000000e-03 -4.0344000000e-03 -4.6868000000e-03  3.7573000000e-03 -2.7179000000e-03  1.5501000000e-03  4.8559000000e-03 -6.8880000000e-04 -5.6610000000e-03
-
-JOB 408
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1869200000e-01 -1.9590100000e-01 -1.8400900000e-01 -1.3747000000e-02  8.7695500000e-01  3.8339700000e-01  9.0318600000e-01  1.7277000000e+00  3.3637340000e+00  8.6983200000e-01  2.0222150000e+00  2.4535800000e+00  1.5594000000e-01  2.1554510000e+00  3.7819250000e+00
-ENERGY -1.526518167047e+02
-FORCES -4.3465000000e-03  1.8977000000e-03  1.3153000000e-03  3.9680000000e-03  8.9130000000e-04  5.9360000000e-04  9.3020000000e-04 -2.0607000000e-03 -9.9990000000e-04 -2.4972000000e-03  2.8520000000e-03 -1.2068000000e-03 -1.1867000000e-03 -1.6126000000e-03  2.4312000000e-03  3.1323000000e-03 -1.9677000000e-03 -2.1333000000e-03
-
-JOB 409
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4922700000e-01 -3.9372500000e-01  4.4706900000e-01  5.7565600000e-01 -7.3832200000e-01 -1.9933100000e-01 -1.9810520000e+00 -1.7430450000e+00  8.1988300000e-01 -2.7295750000e+00 -1.9606100000e+00  2.6435600000e-01 -2.3140560000e+00 -1.0768850000e+00  1.4211910000e+00
-ENERGY -1.526566177394e+02
-FORCES -7.7610000000e-03 -1.3531600000e-02  2.1161000000e-03  5.7270000000e-04  8.1938000000e-03  4.3174000000e-03 -2.0560000000e-04  2.9147000000e-03 -2.7910000000e-04 -1.9591000000e-03  2.2663000000e-03 -3.4974000000e-03  3.3346000000e-03  8.7260000000e-04  3.7486000000e-03  6.0185000000e-03 -7.1580000000e-04 -6.4056000000e-03
-
-JOB 410
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0148400000e-01 -1.9403000000e-02  7.4436100000e-01  3.3728000000e-02 -9.0668400000e-01 -3.0498800000e-01 -1.6825790000e+00  5.8797200000e-01  2.0010660000e+00 -1.8237300000e+00 -2.0519200000e-01  2.5179790000e+00 -1.6385390000e+00  1.2916630000e+00  2.6484530000e+00
-ENERGY -1.526576382239e+02
-FORCES -8.8966000000e-03  3.5901000000e-03  9.6193000000e-03  4.5669000000e-03 -7.4959000000e-03 -5.3681000000e-03 -1.8303000000e-03  2.5448000000e-03  3.2928000000e-03  5.0412000000e-03  2.4609000000e-03 -9.7010000000e-04  2.9103000000e-03  3.4075000000e-03 -4.7804000000e-03 -1.7915000000e-03 -4.5075000000e-03 -1.7935000000e-03
-
-JOB 411
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3731900000e-01  4.4571400000e-01  1.2832300000e-01 -6.0850900000e-01  4.6166600000e-01  5.7690000000e-01 -1.9613800000e-01  2.8076760000e+00 -1.3484400000e+00  3.7964300000e-01  3.5135790000e+00 -1.6423950000e+00  2.7876900000e-01  2.0050720000e+00 -1.5641280000e+00
-ENERGY -1.526567577316e+02
-FORCES -1.1477000000e-03  5.0824000000e-03  5.2133000000e-03 -3.0059000000e-03 -1.4436000000e-03 -3.3864000000e-03  2.8482000000e-03 -3.6755000000e-03 -1.6780000000e-03  2.3652000000e-03 -2.3605000000e-03 -3.2575000000e-03 -1.7960000000e-03 -3.7359000000e-03  1.7356000000e-03  7.3620000000e-04  6.1332000000e-03  1.3731000000e-03
-
-JOB 412
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5933400000e-01  5.4509900000e-01  6.3883600000e-01  2.3516100000e-01 -8.9713200000e-01  2.3682500000e-01 -1.6058400000e-01  2.2700460000e+00 -2.0269720000e+00 -2.2973000000e-02  2.2994460000e+00 -2.9737720000e+00  1.4674200000e-01  1.4017070000e+00 -1.7666450000e+00
-ENERGY -1.526595799499e+02
-FORCES  1.4171000000e-03 -1.9072000000e-03  5.7990000000e-03 -1.4751000000e-03 -3.3235000000e-03 -3.7058000000e-03 -9.4110000000e-04  4.2006000000e-03 -6.8500000000e-04  6.0560000000e-04 -6.0634000000e-03 -1.5420000000e-04 -3.9640000000e-04 -7.9600000000e-04  3.4574000000e-03  7.8990000000e-04  7.8897000000e-03 -4.7113000000e-03
-
-JOB 413
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9158500000e-01  3.8006900000e-01  3.8101500000e-01 -5.0444000000e-02  3.7995100000e-01 -8.7711100000e-01 -1.0235040000e+00 -2.1294210000e+00 -2.9504440000e+00 -1.2845180000e+00 -1.7110350000e+00 -3.7708440000e+00 -1.6337800000e-01 -1.7578550000e+00 -2.7546020000e+00
-ENERGY -1.526533516664e+02
-FORCES  2.0032000000e-03  3.7756000000e-03 -1.1192000000e-03 -3.3878000000e-03 -1.8680000000e-03 -1.8866000000e-03  1.3922000000e-03 -2.1568000000e-03  3.0510000000e-03  2.5968000000e-03  1.9590000000e-03 -1.9309000000e-03  1.1999000000e-03 -1.2859000000e-03  3.7812000000e-03 -3.8043000000e-03 -4.2380000000e-04 -1.8955000000e-03
-
-JOB 414
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5468100000e-01  1.9767000000e-02 -6.6518000000e-02  2.9334700000e-01 -3.2186800000e-01 -8.5239700000e-01  6.3047900000e-01 -1.1299570000e+00 -2.4094870000e+00  8.7505400000e-01 -4.2406200000e-01 -3.0079240000e+00 -3.1142500000e-01 -1.2396370000e+00 -2.5399480000e+00
-ENERGY -1.526572976493e+02
-FORCES  3.3877000000e-03 -6.9436000000e-03 -1.3263600000e-02  3.0420000000e-03 -9.9290000000e-04 -1.9054000000e-03 -6.3318000000e-03  5.7269000000e-03  6.8687000000e-03 -2.7710000000e-03  2.0389000000e-03 -9.4560000000e-04 -2.3918000000e-03 -3.2828000000e-03  4.9246000000e-03  5.0649000000e-03  3.4534000000e-03  4.3214000000e-03
-
-JOB 415
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1815300000e-01  8.0148100000e-01  7.3330000000e-02 -8.8201600000e-01  2.5921000000e-01  2.6662600000e-01  4.5950000000e-01  2.5162740000e+00  1.0831830000e+00  1.1839760000e+00  2.6623490000e+00  4.7488400000e-01  8.8040000000e-01  2.4073390000e+00  1.9359480000e+00
-ENERGY -1.526549421045e+02
-FORCES -2.5036000000e-03  1.4268500000e-02  7.3983000000e-03  5.7725000000e-03 -1.9259000000e-03 -5.0235000000e-03  9.9630000000e-04 -3.5945000000e-03 -1.3838000000e-03  2.7177000000e-03 -2.7555000000e-03  2.0335000000e-03 -5.0130000000e-03 -6.5720000000e-03  1.8117000000e-03 -1.9699000000e-03  5.7940000000e-04 -4.8362000000e-03
-
-JOB 416
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6189900000e-01  2.7904900000e-01 -5.0781200000e-01  2.1696700000e-01  7.5769000000e-01  5.4319700000e-01  1.4334210000e+00  1.8970520000e+00  1.4111610000e+00  1.1098850000e+00  2.0221320000e+00  2.3032990000e+00  2.0893480000e+00  1.2042440000e+00  1.4886790000e+00
-ENERGY -1.526606773794e+02
-FORCES  3.9759000000e-03  1.0627900000e-02  4.2866000000e-03  2.4622000000e-03  4.7350000000e-04  2.5265000000e-03 -5.1757000000e-03 -9.2192000000e-03 -3.1792000000e-03  3.6202000000e-03 -3.6296000000e-03  1.7470000000e-03  3.1740000000e-04 -1.9666000000e-03 -5.5028000000e-03 -5.2001000000e-03  3.7140000000e-03  1.2190000000e-04
-
-JOB 417
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2419000000e-01  2.5110600000e-01  8.9605600000e-01 -3.2981900000e-01  7.1813100000e-01 -5.4012800000e-01 -9.4524000000e-02  1.6114480000e+00 -2.0577540000e+00  1.3149700000e-01  2.4875290000e+00 -1.7452970000e+00  5.4919400000e-01  1.4271240000e+00 -2.7417750000e+00
-ENERGY -1.526565523054e+02
-FORCES -1.3748000000e-03  8.4105000000e-03 -1.2508900000e-02  5.7260000000e-04  2.2716000000e-03 -4.7409000000e-03 -1.2041000000e-03 -1.2543000000e-03  9.6742000000e-03  6.6712000000e-03 -7.2578000000e-03  4.8641000000e-03 -1.5636000000e-03 -5.5536000000e-03  5.6510000000e-04 -3.1012000000e-03  3.3835000000e-03  2.1464000000e-03
-
-JOB 418
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0067300000e-01 -5.9854600000e-01 -7.1951700000e-01  5.3493500000e-01 -3.1349400000e-01  7.2924400000e-01  1.5391750000e+00  1.7742440000e+00 -6.8367600000e-01  7.9543800000e-01  1.1976670000e+00 -5.0861900000e-01  1.3322990000e+00  2.1845720000e+00 -1.5233580000e+00
-ENERGY -1.526519057440e+02
-FORCES  1.9513900000e-02  1.5396100000e-02 -5.4771000000e-03  3.0450000000e-04  6.4543000000e-03  3.1057000000e-03 -2.8254000000e-03  1.8665000000e-03 -5.4086000000e-03 -2.2189400000e-02 -2.1307100000e-02  1.0399100000e-02  7.7376000000e-03  2.3198000000e-03 -4.8061000000e-03 -2.5412000000e-03 -4.7296000000e-03  2.1870000000e-03
-
-JOB 419
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5807400000e-01 -3.6218700000e-01 -8.4761400000e-01  9.0689200000e-01  2.7972400000e-01 -1.2463400000e-01  2.5787730000e+00  9.1755200000e-01  3.5069800000e-01  3.1968050000e+00  7.0410200000e-01  1.0497750000e+00  2.7202700000e+00  1.8489750000e+00  1.8140000000e-01
-ENERGY -1.526607067665e+02
-FORCES  1.0482000000e-02  2.3288000000e-03  2.8140000000e-04  2.3929000000e-03  1.7593000000e-03  2.3503000000e-03 -9.3010000000e-03 -1.9141000000e-03 -3.7697000000e-03 -1.7648000000e-03 -2.7430000000e-04  3.6954000000e-03 -1.5003000000e-03  2.8318000000e-03 -3.5016000000e-03 -3.0880000000e-04 -4.7315000000e-03  9.4410000000e-04
-
-JOB 420
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2576200000e-01 -7.7718200000e-01  4.5398200000e-01  4.9947700000e-01  7.2470800000e-01  3.7623400000e-01  2.8050990000e+00  8.2862000000e-01  1.7022420000e+00  3.4992110000e+00  1.0584510000e+00  1.0844900000e+00  2.5709510000e+00  1.6576800000e+00  2.1194550000e+00
-ENERGY -1.526579359600e+02
-FORCES  6.5029000000e-03 -4.5800000000e-04  5.2060000000e-03 -2.8946000000e-03  1.5775000000e-03 -2.5503000000e-03 -4.9279000000e-03 -4.6410000000e-04 -2.9098000000e-03  4.9624000000e-03  4.0046000000e-03  3.4540000000e-04 -3.5012000000e-03 -7.3730000000e-04  2.9440000000e-03 -1.4170000000e-04 -3.9228000000e-03 -3.0353000000e-03
-
-JOB 421
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.9134000000e-02  7.6627500000e-01  5.6500100000e-01 -5.0249800000e-01 -6.8731100000e-01  4.3741400000e-01 -1.2438830000e+00  7.5367200000e-01 -2.2735110000e+00 -9.3082100000e-01  4.0730800000e-01 -1.4378940000e+00 -2.1967680000e+00  7.7073200000e-01 -2.1843490000e+00
-ENERGY -1.526588948115e+02
-FORCES -1.7096000000e-03  2.3244000000e-03  1.9910000000e-04 -1.1271000000e-03 -4.8514000000e-03 -3.7082000000e-03  8.5340000000e-04  5.1661000000e-03 -3.9299000000e-03  6.5893000000e-03 -5.0850000000e-03  1.3028400000e-02 -8.1167000000e-03  3.2213000000e-03 -7.6276000000e-03  3.5107000000e-03 -7.7550000000e-04  2.0382000000e-03
-
-JOB 422
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0854800000e-01  3.9780600000e-01 -8.4527500000e-01  8.9971300000e-01  2.7361800000e-01  1.7855700000e-01 -2.1593110000e+00 -1.0067120000e+00  1.2209970000e+00 -1.3848460000e+00 -6.9572300000e-01  7.5225100000e-01 -2.2156790000e+00 -4.4255700000e-01  1.9922190000e+00
-ENERGY -1.526594625183e+02
-FORCES -3.9840000000e-03 -2.0008000000e-03  3.6608000000e-03  1.8476000000e-03 -1.8507000000e-03  4.8012000000e-03 -4.2674000000e-03  2.1670000000e-04 -2.6881000000e-03  1.3439700000e-02  7.3059000000e-03 -4.2026000000e-03 -7.4610000000e-03 -2.2855000000e-03  2.2190000000e-04  4.2520000000e-04 -1.3856000000e-03 -1.7932000000e-03
-
-JOB 423
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8761100000e-01  8.8902200000e-01 -2.0773100000e-01 -5.5064600000e-01 -5.6354000000e-01 -5.4354800000e-01  1.8124970000e+00 -1.4032160000e+00 -1.5199060000e+00  1.0615380000e+00 -8.5537500000e-01 -1.2915130000e+00  1.9896420000e+00 -1.1970760000e+00 -2.4377070000e+00
-ENERGY -1.526535474878e+02
-FORCES -1.7548000000e-03  7.0260000000e-04 -8.0400000000e-04  1.8896000000e-03 -5.2460000000e-03  1.6740000000e-04  1.0409100000e-02  3.0274000000e-03 -1.7920000000e-03 -4.7321000000e-03  8.0983000000e-03  5.2589000000e-03 -3.6699000000e-03 -7.2597000000e-03 -6.7510000000e-03 -2.1419000000e-03  6.7740000000e-04  3.9206000000e-03
-
-JOB 424
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0133600000e-01  5.7973400000e-01  2.9709900000e-01  8.0601500000e-01  4.4257200000e-01  2.6589800000e-01 -1.6510970000e+00  1.4536590000e+00  1.3366220000e+00 -2.1912250000e+00  9.2825800000e-01  1.9269160000e+00 -9.8804200000e-01  1.8468030000e+00  1.9040960000e+00
-ENERGY -1.526552634930e+02
-FORCES -1.4565100000e-02  1.4214100000e-02  1.1447000000e-02  6.7134000000e-03 -3.7558000000e-03 -3.5211000000e-03 -3.1055000000e-03 -3.5700000000e-05  9.8760000000e-04  9.7407000000e-03 -1.0597700000e-02 -2.3513000000e-03  3.4471000000e-03  3.4686000000e-03 -2.4574000000e-03 -2.2306000000e-03 -3.2935000000e-03 -4.1047000000e-03
-
-JOB 425
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4693900000e-01 -7.8277700000e-01  3.2208200000e-01  4.3387700000e-01  7.2577100000e-01  4.4859600000e-01 -2.6334850000e+00 -1.1741200000e-01  3.8539900000e-01 -3.0020710000e+00  9.8596000000e-02 -4.7117400000e-01 -1.6883340000e+00 -1.6827000000e-02  2.7224300000e-01
-ENERGY -1.526604301186e+02
-FORCES -4.7200000000e-03 -1.6002000000e-03  3.3537000000e-03 -1.8889000000e-03  5.1383000000e-03 -1.1235000000e-03 -2.7181000000e-03 -4.6018000000e-03 -1.9009000000e-03  1.7090300000e-02  1.1298000000e-03 -4.9749000000e-03  1.8583000000e-03 -3.1180000000e-04  2.0311000000e-03 -9.6216000000e-03  2.4580000000e-04  2.6145000000e-03
-
-JOB 426
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6479700000e-01  2.9133800000e-01 -7.1579200000e-01 -7.8875000000e-01  5.3587400000e-01 -8.3331000000e-02  3.8392400000e-01 -2.9183900000e+00 -8.1761200000e-01  8.5940900000e-01 -2.7307110000e+00 -1.6268840000e+00  1.7307800000e-01 -2.0568040000e+00 -4.5782700000e-01
-ENERGY -1.526597739512e+02
-FORCES -1.8895000000e-03  5.8401000000e-03 -2.0551000000e-03 -3.1943000000e-03 -3.4319000000e-03  2.7832000000e-03  4.3700000000e-03 -1.9731000000e-03 -5.5000000000e-06 -5.4910000000e-04  8.1212000000e-03  9.6210000000e-04 -1.3947000000e-03  1.4530000000e-04  2.5780000000e-03  2.6576000000e-03 -8.7015000000e-03 -4.2627000000e-03
-
-JOB 427
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1559800000e-01 -7.3346800000e-01 -3.3528400000e-01  6.1438800000e-01  4.9902800000e-01  5.3826500000e-01 -7.3751100000e-01  2.2758040000e+00 -1.1236760000e+00 -3.3455900000e-01  1.4763120000e+00 -7.8504200000e-01  1.9640000000e-03  2.8377660000e+00 -1.3552100000e+00
-ENERGY -1.526560272347e+02
-FORCES  2.9230000000e-04  3.1781000000e-03 -2.9751000000e-03 -1.9257000000e-03  4.4949000000e-03  2.7418000000e-03 -4.2254000000e-03  5.5580000000e-04 -8.0072000000e-03  4.1925000000e-03 -1.4961500000e-02  4.1093000000e-03  2.5336000000e-03  1.0638300000e-02  1.8542000000e-03 -8.6740000000e-04 -3.9056000000e-03  2.2770000000e-03
-
-JOB 428
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8054300000e-01  3.9871500000e-01 -8.5127100000e-01  7.2309900000e-01 -6.0462400000e-01 -1.6670000000e-01 -2.3371640000e+00  1.8643320000e+00 -1.6341730000e+00 -1.8250920000e+00  2.2567360000e+00 -2.3413030000e+00 -2.3021950000e+00  2.5081610000e+00 -9.2671800000e-01
-ENERGY -1.526562658135e+02
-FORCES -1.2460000000e-04 -7.1100000000e-04 -4.7359000000e-03  4.8147000000e-03 -2.0205000000e-03  3.8660000000e-03 -2.9632000000e-03  2.5733000000e-03  2.7180000000e-04 -9.2690000000e-04  5.8434000000e-03  9.1220000000e-04 -8.3480000000e-04 -3.0821000000e-03  3.6547000000e-03  3.4800000000e-05 -2.6031000000e-03 -3.9688000000e-03
-
-JOB 429
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2524000000e-01  6.8845600000e-01 -5.8006800000e-01 -5.0419100000e-01 -5.7798900000e-01 -5.7267100000e-01 -1.0640670000e+00 -2.1695390000e+00 -1.2679880000e+00 -1.6292560000e+00 -2.8439640000e+00 -8.9123300000e-01 -1.5246740000e+00 -1.8836150000e+00 -2.0568610000e+00
-ENERGY -1.526583144908e+02
-FORCES -3.8889000000e-03 -1.0157000000e-02 -6.2329000000e-03 -2.1407000000e-03 -3.4064000000e-03  2.7350000000e-04  2.0951000000e-03  1.0225200000e-02  5.9080000000e-04 -1.5293000000e-03 -5.8680000000e-04  3.2992000000e-03  2.3618000000e-03  2.9102000000e-03 -3.5341000000e-03  3.1020000000e-03  1.0147000000e-03  5.6035000000e-03
-
-JOB 430
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0433700000e-01 -8.3391000000e-02  9.0369100000e-01  4.3081200000e-01 -7.1693700000e-01 -4.6544000000e-01 -1.2311580000e+00 -3.0847560000e+00 -9.3079600000e-01 -8.2679200000e-01 -3.3375120000e+00 -1.0083500000e-01 -1.6498170000e+00 -3.8852170000e+00 -1.2473710000e+00
-ENERGY -1.526541677229e+02
-FORCES  1.9093000000e-03 -3.8672000000e-03  3.1300000000e-05 -1.3806000000e-03 -2.6790000000e-04 -3.4770000000e-03 -3.5300000000e-05  3.8980000000e-03  3.5541000000e-03 -1.8016000000e-03 -4.6611000000e-03  2.1650000000e-03 -3.8400000000e-04  1.3985000000e-03 -3.8699000000e-03  1.6922000000e-03  3.4998000000e-03  1.5965000000e-03
-
-JOB 431
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4992100000e-01  6.1073000000e-02  8.4265800000e-01  9.1934900000e-01 -1.3761600000e-01  2.2823400000e-01 -1.3666270000e+00  1.1882470000e+00  2.2457680000e+00 -8.9503400000e-01  1.2177650000e+00  3.0782110000e+00 -1.6811060000e+00  2.0829870000e+00  2.1162460000e+00
-ENERGY -1.526595649212e+02
-FORCES -2.6633000000e-03  3.5309000000e-03  8.7356000000e-03  5.1914000000e-03 -5.5609000000e-03 -6.0411000000e-03 -3.0347000000e-03  7.3480000000e-04  5.9500000000e-05  5.9940000000e-04  5.3960000000e-03 -8.0730000000e-04 -1.3452000000e-03 -3.5540000000e-04 -4.5929000000e-03  1.2524000000e-03 -3.7455000000e-03  2.6462000000e-03
-
-JOB 432
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4304200000e-01 -5.2197900000e-01 -3.0275200000e-01 -3.7736100000e-01  6.0918600000e-01  6.3460500000e-01 -1.7208990000e+00 -1.4132020000e+00 -1.3200690000e+00 -1.8572950000e+00 -2.0977460000e+00 -6.6506700000e-01 -1.1549880000e+00 -1.8188610000e+00 -1.9768920000e+00
-ENERGY -1.526565022102e+02
-FORCES -1.4835400000e-02 -8.8003000000e-03 -1.1420800000e-02  5.8616000000e-03  4.9840000000e-04  9.1386000000e-03 -1.3052000000e-03 -3.4400000000e-03 -2.4475000000e-03  1.0079700000e-02  3.0159000000e-03  1.5379000000e-03  3.8386000000e-03  7.3915000000e-03 -1.3225000000e-03 -3.6393000000e-03  1.3345000000e-03  4.5142000000e-03
-
-JOB 433
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4523100000e-01  3.7994100000e-01  8.0789400000e-01 -7.5218900000e-01 -3.1039000000e-02 -5.9116900000e-01  3.8540400000e-01 -2.7920070000e+00  1.5435300000e+00  1.6935000000e-01 -3.4204850000e+00  8.5464000000e-01  1.6373500000e-01 -1.9395520000e+00  1.1688090000e+00
-ENERGY -1.526589860659e+02
-FORCES -4.2200000000e-03  5.7571000000e-03 -1.6038000000e-03  1.7801000000e-03 -4.5984000000e-03 -3.7096000000e-03  3.6494000000e-03 -5.7780000000e-04  3.3226000000e-03 -5.2150000000e-04  3.9716000000e-03 -7.0562000000e-03  3.6240000000e-04  1.7655000000e-03  2.5383000000e-03 -1.0504000000e-03 -6.3180000000e-03  6.5086000000e-03
-
-JOB 434
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3555300000e-01 -7.9269600000e-01 -3.2382000000e-02  2.6628000000e-02  3.0879600000e-01 -9.0563100000e-01 -6.5372000000e-02 -1.7870860000e+00  2.7379580000e+00  5.6028200000e-01 -2.0577040000e+00  2.0659810000e+00  1.9664000000e-02 -2.4479820000e+00  3.4251390000e+00
-ENERGY -1.526548212982e+02
-FORCES -3.7554000000e-03 -1.0307000000e-03 -3.3183000000e-03  4.1631000000e-03  2.6485000000e-03 -1.0781000000e-03 -1.5920000000e-04 -1.2888000000e-03  4.0124000000e-03  4.3099000000e-03 -2.6677000000e-03  7.0850000000e-04 -4.2954000000e-03 -6.2340000000e-04  2.5967000000e-03 -2.6290000000e-04  2.9621000000e-03 -2.9212000000e-03
-
-JOB 435
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2217200000e-01 -7.6913400000e-01  4.6996800000e-01  6.2572500000e-01  4.0396000000e-01  6.0126300000e-01  8.2172000000e-01  2.8244290000e+00  8.2461200000e-01  1.2255680000e+00  3.6753800000e+00  9.9496600000e-01  1.3996150000e+00  2.4082580000e+00  1.8502500000e-01
-ENERGY -1.526548147634e+02
-FORCES -4.5840000000e-04  3.5270000000e-04  6.3239000000e-03  1.1038000000e-03  2.9778000000e-03 -1.8334000000e-03  6.6130000000e-04 -2.4768000000e-03 -5.6841000000e-03  3.0352000000e-03  3.6219000000e-03 -3.4447000000e-03 -2.1329000000e-03 -3.6082000000e-03 -1.1110000000e-03 -2.2089000000e-03 -8.6740000000e-04  5.7493000000e-03
-
-JOB 436
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2577700000e-01  8.0095100000e-01 -4.7300600000e-01 -1.7808000000e-01 -6.4231200000e-01 -6.8699000000e-01 -1.1957740000e+00 -1.8043990000e+00  2.0495690000e+00 -8.1602700000e-01 -1.9090840000e+00  2.9219590000e+00 -8.7103700000e-01 -9.5645100000e-01  1.7466460000e+00
-ENERGY -1.526608630408e+02
-FORCES  2.0830000000e-04 -2.0370000000e-04 -5.3235000000e-03 -7.2740000000e-04 -3.9616000000e-03  1.2220000000e-03  1.1445000000e-03  4.3553000000e-03  2.4423000000e-03  4.2049000000e-03  5.4181000000e-03 -5.9150000000e-04 -1.1191000000e-03  8.2830000000e-04 -2.9812000000e-03 -3.7112000000e-03 -6.4365000000e-03  5.2319000000e-03
-
-JOB 437
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7952000000e-02 -3.5944200000e-01  8.8585200000e-01 -1.2965400000e-01  9.4130600000e-01  1.1560800000e-01  2.0838490000e+00 -1.6581940000e+00 -7.3972400000e-01  1.3321290000e+00 -1.0666060000e+00 -7.7397700000e-01  1.8377940000e+00 -2.3917820000e+00 -1.3032300000e+00
-ENERGY -1.526614224767e+02
-FORCES  2.9788000000e-03  2.8600000000e-04  3.3350000000e-03 -4.3700000000e-04  2.6829000000e-03 -4.6126000000e-03  9.1700000000e-05 -4.5478000000e-03  8.7330000000e-04 -8.6672000000e-03  6.4144000000e-03 -1.0450000000e-04  6.5251000000e-03 -7.6935000000e-03 -1.5857000000e-03 -4.9140000000e-04  2.8581000000e-03  2.0945000000e-03
-
-JOB 438
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3027000000e-02  3.1315600000e-01  9.0443100000e-01 -5.0674000000e-01 -8.1182200000e-01  1.9803000000e-02  4.4125700000e-01  9.7628300000e-01  2.5281210000e+00  7.6317100000e-01  1.7490480000e+00  2.9922730000e+00 -3.7577700000e-01  7.5188300000e-01  2.9734640000e+00
-ENERGY -1.526579051369e+02
-FORCES  2.9681000000e-03  3.3784000000e-03  1.0603200000e-02 -6.2004000000e-03 -5.5649000000e-03 -5.3817000000e-03  1.2119000000e-03  3.1970000000e-03  2.0052000000e-03  5.7060000000e-04  3.0066000000e-03 -1.6109000000e-03 -2.4105000000e-03 -4.3643000000e-03 -2.8730000000e-04  3.8602000000e-03  3.4720000000e-04 -5.3286000000e-03
-
-JOB 439
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7007000000e-02 -7.3421600000e-01 -6.1389700000e-01  8.6265800000e-01 -5.1270000000e-02  4.1161300000e-01  8.4105600000e-01  8.2003000000e-01 -3.0730060000e+00 -1.1352100000e-01  8.6814600000e-01 -3.0210490000e+00  1.1000540000e+00  1.6394050000e+00 -3.4946410000e+00
-ENERGY -1.526550339434e+02
-FORCES  6.0445000000e-03 -2.3565000000e-03 -2.9839000000e-03 -1.7725000000e-03  2.4326000000e-03  2.9083000000e-03 -3.6569000000e-03 -1.5240000000e-04 -3.2000000000e-04 -3.5002000000e-03  4.6920000000e-03  4.3700000000e-04  3.8231000000e-03 -1.4035000000e-03 -1.7078000000e-03 -9.3810000000e-04 -3.2122000000e-03  1.6664000000e-03
-
-JOB 440
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0478800000e-01  6.9366900000e-01  2.6322300000e-01  6.4135800000e-01 -4.1160000000e-02  7.0936400000e-01 -2.1291410000e+00  1.7571080000e+00  2.2280500000e-01 -3.0201010000e+00  1.4206600000e+00  1.2676200000e-01 -2.1402180000e+00  2.5991230000e+00 -2.3230000000e-01
-ENERGY -1.526612776788e+02
-FORCES -7.7316000000e-03  7.1382000000e-03  2.4343000000e-03  8.8632000000e-03 -5.6010000000e-03  3.2610000000e-04 -2.9524000000e-03  1.3886000000e-03 -1.7420000000e-03 -7.1090000000e-04 -2.2832000000e-03 -3.3845000000e-03  3.4311000000e-03  3.3626000000e-03  1.1970000000e-04 -8.9940000000e-04 -4.0053000000e-03  2.2464000000e-03
-
-JOB 441
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0127500000e-01  6.6093000000e-02  5.1944400000e-01 -2.1367600000e-01  4.3231400000e-01 -8.2684900000e-01  2.6754160000e+00  1.1220000000e-03  4.7920900000e-01  2.7101420000e+00 -5.1375600000e-01  1.2853890000e+00  1.7444420000e+00  1.8239900000e-01  3.5014200000e-01
-ENERGY -1.526596011753e+02
-FORCES  2.3226000000e-03  9.9470000000e-04  6.8740000000e-04  3.3428000000e-03 -4.9410000000e-04 -3.5991000000e-03  1.0736000000e-03 -1.7143000000e-03  5.2505000000e-03 -1.4966300000e-02 -2.2313000000e-03  4.1550000000e-04 -1.4490000000e-04  1.5187000000e-03 -1.7062000000e-03  8.3722000000e-03  1.9264000000e-03 -1.0481000000e-03
-
-JOB 442
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2022200000e-01  1.9994200000e-01 -8.3646200000e-01 -6.5428300000e-01  2.3241900000e-01  6.5888300000e-01 -5.9434300000e-01 -4.0962000000e-02 -2.7805080000e+00 -1.5507620000e+00 -5.2286000000e-02 -2.7435430000e+00 -3.7007300000e-01  8.8054700000e-01 -2.9099540000e+00
-ENERGY -1.526566909962e+02
-FORCES -3.0868000000e-03 -8.6060000000e-04 -8.7968000000e-03 -8.0660000000e-04  4.5003000000e-03  9.4195000000e-03  1.2177000000e-03 -7.2260000000e-04 -4.3300000000e-03 -1.2887000000e-03  1.4255000000e-03 -3.7974000000e-03  5.9419000000e-03  1.0333000000e-03  3.2534000000e-03 -1.9775000000e-03 -5.3760000000e-03  4.2513000000e-03
-
-JOB 443
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8240900000e-01  4.4922800000e-01  7.5378300000e-01  2.4870100000e-01  5.3805500000e-01 -7.5158300000e-01  1.9702100000e-01  1.0040370000e+00  2.6022820000e+00  4.3427500000e-01  1.7044600000e-01  3.0085670000e+00  9.6710200000e-01  1.5589770000e+00  2.7257710000e+00
-ENERGY -1.526583258509e+02
-FORCES  2.9180000000e-04  6.5073000000e-03  8.9867000000e-03  3.4221000000e-03 -4.5769000000e-03 -9.1525000000e-03 -1.9710000000e-04 -6.6710000000e-04  3.8552000000e-03  4.7350000000e-04 -2.3795000000e-03  3.7159000000e-03 -2.6040000000e-04  4.9711000000e-03 -3.7158000000e-03 -3.7300000000e-03 -3.8548000000e-03 -3.6895000000e-03
-
-JOB 444
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3497000000e-02 -2.8411100000e-01 -9.1345000000e-01  1.2577000000e-02  9.5603900000e-01 -4.5415000000e-02  1.8383200000e-01 -3.2458650000e+00 -8.2786700000e-01 -1.8810800000e-01 -4.0887130000e+00 -5.6805900000e-01  6.5408900000e-01 -2.9415730000e+00 -5.1661000000e-02
-ENERGY -1.526576031065e+02
-FORCES -7.1120000000e-04  2.3907000000e-03 -4.7332000000e-03  8.4800000000e-04  3.2756000000e-03  4.5994000000e-03 -2.4420000000e-04 -3.8798000000e-03 -8.1300000000e-05 -1.6740000000e-04 -2.1152000000e-03  5.4204000000e-03  1.7238000000e-03  3.0926000000e-03 -8.6190000000e-04 -1.4490000000e-03 -2.7638000000e-03 -4.3433000000e-03
-
-JOB 445
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1111000000e-02  4.2630700000e-01 -8.5604000000e-01 -3.0964400000e-01  6.6533800000e-01  6.1455500000e-01  1.3373380000e+00 -2.6537000000e-01  3.8167610000e+00  1.5914360000e+00  2.1085500000e-01  4.6072520000e+00  2.0234410000e+00 -5.9776000000e-02  3.1817610000e+00
-ENERGY -1.526548865984e+02
-FORCES -2.3765000000e-03  4.1201000000e-03 -4.9630000000e-04  3.2030000000e-04 -1.7207000000e-03  3.5844000000e-03  1.6831000000e-03 -2.2433000000e-03 -3.5455000000e-03  4.4423000000e-03  1.8041000000e-03  3.8790000000e-04 -1.1939000000e-03 -1.8194000000e-03 -3.3709000000e-03 -2.8754000000e-03 -1.4090000000e-04  3.4403000000e-03
-
-JOB 446
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3409000000e-01  2.0220000000e-03  2.0905300000e-01 -4.1999100000e-01 -3.5985500000e-01  7.8124500000e-01  2.4540760000e+00  1.5098400000e-01  8.7943600000e-01  2.3150090000e+00  9.1770400000e-01  1.4353430000e+00  3.1444110000e+00  4.1697200000e-01  2.7204900000e-01
-ENERGY -1.526581708005e+02
-FORCES  1.9686300000e-02 -1.9384000000e-03  7.6368000000e-03 -8.7655000000e-03  2.4097000000e-03 -2.4479000000e-03  2.0153000000e-03  1.9215000000e-03 -1.1309000000e-03 -7.9902000000e-03  2.8145000000e-03 -3.3960000000e-03 -1.9900000000e-04 -4.7123000000e-03 -4.0559000000e-03 -4.7469000000e-03 -4.9500000000e-04  3.3940000000e-03
-
-JOB 447
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0546000000e-01  8.3029300000e-01 -4.2968800000e-01 -3.3163800000e-01 -6.6879400000e-01 -5.9913500000e-01  2.3795970000e+00  1.0296970000e+00  1.1129610000e+00  2.5249760000e+00  1.8157170000e+00  5.8639800000e-01  1.5846670000e+00  6.4038600000e-01  7.4860400000e-01
-ENERGY -1.526588922400e+02
-FORCES -3.4700000000e-05 -1.3095000000e-03 -2.9834000000e-03  3.9903000000e-03 -4.0310000000e-03  2.6605000000e-03  1.7900000000e-04  4.4428000000e-03  2.2147000000e-03 -8.1570000000e-03 -4.2279000000e-03 -5.3095000000e-03 -1.9873000000e-03 -2.5342000000e-03  9.9110000000e-04  6.0097000000e-03  7.6598000000e-03  2.4266000000e-03
-
-JOB 448
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4590000000e-03  6.8839400000e-01 -6.6503700000e-01 -5.5980600000e-01  3.3575400000e-01  7.0008400000e-01  3.6649800000e-01  2.2330120000e+00 -1.4485580000e+00 -3.7492100000e-01  2.2429080000e+00 -2.0538940000e+00  4.8509200000e-01  3.1495590000e+00 -1.1993430000e+00
-ENERGY -1.526565591043e+02
-FORCES  2.0869000000e-03  1.5216900000e-02 -5.3031000000e-03 -5.1337000000e-03 -7.2088000000e-03 -1.5693000000e-03  1.3853000000e-03 -7.0650000000e-04 -1.9023000000e-03 -4.2000000000e-05 -9.2820000000e-04  5.5458000000e-03  3.3432000000e-03 -2.5001000000e-03  5.9694000000e-03 -1.6397000000e-03 -3.8734000000e-03 -2.7405000000e-03
-
-JOB 449
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8221500000e-01  8.4416000000e-02  9.3589700000e-01 -3.3066600000e-01  8.1247500000e-01 -3.8311300000e-01 -9.3409900000e-01  2.0718500000e+00 -1.5811620000e+00 -3.4463700000e-01  2.7057560000e+00 -1.1725900000e+00 -8.8108400000e-01  2.2636400000e+00 -2.5174510000e+00
-ENERGY -1.526579629236e+02
-FORCES -5.9639000000e-03  6.7605000000e-03 -5.9126000000e-03  2.8690000000e-04  1.6986000000e-03 -3.7565000000e-03  5.6157000000e-03 -1.0999000000e-03  8.6906000000e-03  2.9969000000e-03 -1.7600000000e-03 -3.8038000000e-03 -2.6598000000e-03 -6.8188000000e-03  7.4500000000e-05 -2.7570000000e-04  1.2197000000e-03  4.7078000000e-03
-
-JOB 450
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1458600000e-01 -2.3998300000e-01  9.0143900000e-01 -1.2059900000e-01  9.4907000000e-01 -3.0877000000e-02 -1.9876440000e+00 -3.3428600000e-01 -1.9273260000e+00 -1.4754760000e+00 -2.8841900000e-01 -1.1199770000e+00 -1.7938150000e+00 -1.2004820000e+00 -2.2856100000e+00
-ENERGY -1.526599801994e+02
-FORCES  4.5100000000e-04  3.5296000000e-03  1.2060000000e-03 -3.4300000000e-04  1.2090000000e-03 -5.7696000000e-03 -1.6446000000e-03 -6.6237000000e-03  6.4200000000e-05  1.1097900000e-02 -2.5660000000e-03  8.0548000000e-03 -8.6870000000e-03  2.2345000000e-03 -4.7695000000e-03 -8.7440000000e-04  2.2165000000e-03  1.2141000000e-03
-
-JOB 451
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9884500000e-01  4.5157400000e-01 -6.8078400000e-01 -2.6466400000e-01  4.2714900000e-01  8.1469500000e-01  2.5271530000e+00 -8.2951100000e-01 -2.2146000000e-02  2.6847240000e+00 -1.0321060000e+00  9.0000200000e-01  1.6430430000e+00 -4.6307600000e-01 -3.9679000000e-02
-ENERGY -1.526588340049e+02
-FORCES  6.2713000000e-03  1.1880000000e-04 -8.2160000000e-04  1.6678000000e-03 -1.6894000000e-03  4.7767000000e-03  1.6858000000e-03 -2.1582000000e-03 -4.5314000000e-03 -1.6486700000e-02  4.4322000000e-03  1.1913000000e-03 -1.6928000000e-03  1.4163000000e-03 -1.9937000000e-03  8.5547000000e-03 -2.1197000000e-03  1.3787000000e-03
-
-JOB 452
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1013700000e-01  9.2301100000e-01 -1.4186400000e-01  3.8452200000e-01 -4.5186500000e-01 -7.5112800000e-01  5.3609900000e-01  2.2914520000e+00 -1.6948430000e+00  4.7939300000e-01  3.2069650000e+00 -1.4212490000e+00  1.4399360000e+00  2.1851790000e+00 -1.9915190000e+00
-ENERGY -1.526584989489e+02
-FORCES  2.0624000000e-03  7.8960000000e-03 -9.3807000000e-03 -2.1920000000e-04 -4.9024000000e-03  6.7170000000e-03 -2.5600000000e-04 -1.7580000000e-04  2.7042000000e-03  2.5378000000e-03  2.8052000000e-03 -1.8979000000e-03  6.4030000000e-04 -5.2667000000e-03 -4.1150000000e-04 -4.7654000000e-03 -3.5630000000e-04  2.2691000000e-03
-
-JOB 453
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8540900000e-01 -3.1455500000e-01 -8.8482200000e-01 -3.1381700000e-01  9.0428700000e-01  3.9020000000e-03  9.8625400000e-01  1.1117200000e+00 -3.6710390000e+00  7.0436800000e-01  2.2811900000e-01 -3.4343540000e+00  1.9149530000e+00  1.1371500000e+00 -3.4405980000e+00
-ENERGY -1.526543189510e+02
-FORCES -2.6611000000e-03  3.6399000000e-03 -3.5950000000e-03  1.5465000000e-03  1.9600000000e-04  2.7085000000e-03  1.2239000000e-03 -4.1221000000e-03  7.3960000000e-04  4.1502000000e-03 -3.4156000000e-03  1.1497000000e-03 -9.9700000000e-05  3.7138000000e-03  3.5060000000e-04 -4.1598000000e-03 -1.2100000000e-05 -1.3534000000e-03
-
-JOB 454
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7006600000e-01 -5.0664900000e-01  6.6225000000e-01 -9.9000000000e-04 -5.6114300000e-01 -7.7546700000e-01  3.9095400000e-01  2.6937590000e+00 -9.5691000000e-02 -1.0606400000e-01  3.3137270000e+00  4.3801700000e-01 -7.2414000000e-02  1.8626150000e+00  7.8570000000e-03
-ENERGY -1.526600697143e+02
-FORCES  4.4302000000e-03  2.1734000000e-03 -7.8000000000e-04 -2.5947000000e-03  9.0020000000e-04 -3.6388000000e-03  4.5080000000e-04  1.4802000000e-03  4.3167000000e-03 -2.8741000000e-03 -1.0578800000e-02  7.9080000000e-04  1.0799000000e-03 -3.8337000000e-03 -9.7200000000e-04 -4.9200000000e-04  9.8587000000e-03  2.8330000000e-04
-
-JOB 455
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5285500000e-01 -5.1174800000e-01 -7.9434300000e-01 -8.9872900000e-01 -2.1153600000e-01  2.5252700000e-01  1.7697010000e+00 -2.5082390000e+00  9.8724900000e-01  1.3110350000e+00 -1.7450880000e+00  6.3588400000e-01  1.3551460000e+00 -3.2563090000e+00  5.5740400000e-01
-ENERGY -1.526572123698e+02
-FORCES -6.2536000000e-03  9.9610000000e-04 -2.9943000000e-03  1.0325000000e-03 -2.0980000000e-04  6.7478000000e-03  4.7573000000e-03  5.0930000000e-04 -1.6917000000e-03 -4.3872000000e-03  3.3655000000e-03 -1.8189000000e-03  3.8616000000e-03 -8.1336000000e-03 -1.2430000000e-03  9.8940000000e-04  3.4725000000e-03  1.0001000000e-03
-
-JOB 456
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3438800000e-01  6.9383600000e-01 -3.8633200000e-01  6.2054200000e-01 -7.0396000000e-01  1.8868100000e-01 -2.9436060000e+00  2.3392550000e+00  5.6721000000e-01 -2.4001890000e+00  2.2693240000e+00 -2.1767100000e-01 -2.6019020000e+00  3.1053840000e+00  1.0282060000e+00
-ENERGY -1.526534683643e+02
-FORCES  5.0553000000e-03 -1.2112000000e-03 -8.0000000000e-05 -3.1006000000e-03 -2.1760000000e-03  1.3884000000e-03 -2.4873000000e-03  3.0802000000e-03 -8.3000000000e-04  4.5052000000e-03  1.1394000000e-03 -1.1844000000e-03 -2.5753000000e-03  1.9595000000e-03  2.6297000000e-03 -1.3973000000e-03 -2.7920000000e-03 -1.9237000000e-03
-
-JOB 457
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4204000000e-02  4.4526200000e-01  8.4618000000e-01 -9.3642500000e-01 -7.0952000000e-02 -1.8522000000e-01  2.5300220000e+00 -9.3440000000e-01 -3.9929600000e-01  1.7425280000e+00 -3.9089100000e-01 -3.7316200000e-01  3.2495880000e+00 -3.2178400000e-01 -2.4711500000e-01
-ENERGY -1.526587328211e+02
-FORCES  5.6030000000e-04 -2.9536000000e-03 -1.0600000000e-05  5.5710000000e-04 -1.6547000000e-03 -5.0503000000e-03  3.5696000000e-03  1.1537000000e-03  2.9239000000e-03 -9.7967000000e-03  4.2628000000e-03 -2.3790000000e-04  9.1026000000e-03  8.7600000000e-05  1.8854000000e-03 -3.9929000000e-03 -8.9580000000e-04  4.8940000000e-04
-
-JOB 458
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1867200000e-01 -7.3034200000e-01 -8.8380000000e-03  1.4796100000e-01  2.0037800000e-01 -9.2422300000e-01  7.5908100000e-01 -2.3330980000e+00 -2.7312830000e+00  1.5677420000e+00 -1.9438750000e+00 -2.3984110000e+00  5.1752100000e-01 -1.7836950000e+00 -3.4769620000e+00
-ENERGY -1.526556264481e+02
-FORCES -2.7833000000e-03 -3.8266000000e-03 -4.4426000000e-03  2.0281000000e-03  3.9228000000e-03  1.2455000000e-03  5.2700000000e-04  4.3550000000e-04  3.4299000000e-03  3.8721000000e-03  2.0573000000e-03 -2.4145000000e-03 -4.2655000000e-03 -1.0342000000e-03 -1.9479000000e-03  6.2170000000e-04 -1.5548000000e-03  4.1296000000e-03
-
-JOB 459
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8838200000e-01 -8.6863200000e-01  2.8026200000e-01  1.5242900000e-01 -8.9670000000e-02 -9.4072100000e-01  2.4094020000e+00  7.7919600000e-01  9.7469600000e-01  1.6859750000e+00  4.5909800000e-01  4.3578700000e-01  2.0819440000e+00  1.5933840000e+00  1.3569280000e+00
-ENERGY -1.526587473929e+02
-FORCES  2.0828000000e-03 -2.7177000000e-03  2.3867000000e-03  1.3793000000e-03  4.5530000000e-03 -2.6433000000e-03  2.5278000000e-03  7.3240000000e-04  6.8353000000e-03 -1.6576300000e-02 -2.1498000000e-03 -3.5551000000e-03  9.1140000000e-03  1.4183000000e-03 -2.2250000000e-03  1.4725000000e-03 -1.8362000000e-03 -7.9870000000e-04
-
-JOB 460
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6707000000e-01 -4.8486000000e-02 -4.0258000000e-01 -2.1489300000e-01 -9.0716500000e-01  2.1703400000e-01  1.0855200000e+00  2.7974060000e+00  1.8072690000e+00  1.3280720000e+00  3.7221780000e+00  1.8541460000e+00  1.7570100000e-01  2.8027070000e+00  1.5098910000e+00
-ENERGY -1.526557639939e+02
-FORCES  4.0487000000e-03 -3.8620000000e-03 -1.5270000000e-04 -4.1007000000e-03 -6.6680000000e-04  6.8240000000e-04  7.9470000000e-04  3.6025000000e-03 -1.0113000000e-03 -4.0546000000e-03  2.5396000000e-03 -1.3403000000e-03 -8.3500000000e-04 -3.8801000000e-03 -4.0450000000e-04  4.1469000000e-03  2.2667000000e-03  2.2264000000e-03
-
-JOB 461
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3811900000e-01 -8.0596400000e-01  3.9029300000e-01 -7.7890300000e-01  4.6081600000e-01 -3.1175500000e-01 -2.0553740000e+00  1.3892990000e+00 -1.0424570000e+00 -1.5104810000e+00  2.0105320000e+00 -1.5255650000e+00 -2.6604300000e+00  1.0409860000e+00 -1.6972980000e+00
-ENERGY -1.526599841227e+02
-FORCES -1.4490900000e-02  5.9201000000e-03 -4.4793000000e-03 -1.5100000000e-04  2.2597000000e-03 -1.7472000000e-03  9.6826000000e-03 -2.3309000000e-03  2.5458000000e-03  4.3416000000e-03 -3.2595000000e-03 -2.1715000000e-03 -2.5516000000e-03 -5.0924000000e-03  2.9622000000e-03  3.1693000000e-03  2.5029000000e-03  2.8901000000e-03
-
-JOB 462
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7592900000e-01  5.1898900000e-01 -2.1170100000e-01  5.3801700000e-01  3.9214000000e-02 -7.9071600000e-01 -4.0448000000e-01 -2.2645480000e+00  1.5630610000e+00 -1.3820200000e-01 -1.4819430000e+00  1.0805090000e+00 -1.3574500000e-01 -2.0930050000e+00  2.4656060000e+00
-ENERGY -1.526617133979e+02
-FORCES -2.5792000000e-03 -1.6480000000e-03 -1.6286000000e-03  4.6360000000e-03 -1.6704000000e-03 -1.0800000000e-04 -3.3576000000e-03  6.7630000000e-04  3.4236000000e-03  2.8403000000e-03  1.0292600000e-02 -4.9472000000e-03 -8.3050000000e-04 -8.1240000000e-03  6.2842000000e-03 -7.0900000000e-04  4.7350000000e-04 -3.0239000000e-03
-
-JOB 463
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2376700000e-01  8.3250000000e-02 -7.2126000000e-01 -7.7853200000e-01  4.6871800000e-01 -3.0070400000e-01 -2.6508380000e+00  8.2763800000e-01 -1.8906100000e-01 -3.0210100000e+00  1.6279850000e+00 -5.6141700000e-01 -3.4125240000e+00  2.9844400000e-01  4.7626000000e-02
-ENERGY -1.526599335375e+02
-FORCES -8.7984000000e-03  2.9912000000e-03 -2.2068000000e-03 -3.3462000000e-03  6.3130000000e-04  1.7304000000e-03  9.8246000000e-03 -7.7640000000e-04 -9.8640000000e-04 -1.5705000000e-03 -2.8433000000e-03  1.7026000000e-03  2.0519000000e-03 -4.1637000000e-03  1.3787000000e-03  1.8385000000e-03  4.1609000000e-03 -1.6186000000e-03
-
-JOB 464
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6783100000e-01 -1.6302700000e-01  3.6949100000e-01  4.3310700000e-01  5.6123700000e-01  6.4316700000e-01  8.3629000000e-01  1.8545100000e+00  2.2100160000e+00  1.7917540000e+00  1.8459090000e+00  2.1530520000e+00  6.4856600000e-01  1.6466960000e+00  3.1253330000e+00
-ENERGY -1.526602790889e+02
-FORCES -1.1558000000e-03  6.1886000000e-03  8.5149000000e-03  2.2538000000e-03 -3.9630000000e-04 -1.4374000000e-03  8.4750000000e-04 -5.9225000000e-03 -7.3549000000e-03  2.3889000000e-03  3.3300000000e-04  5.2709000000e-03 -5.5571000000e-03 -1.4273000000e-03 -6.2720000000e-04  1.2227000000e-03  1.2245000000e-03 -4.3663000000e-03
-
-JOB 465
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3057400000e-01 -1.9376700000e-01 -1.1277700000e-01  5.3930000000e-02  9.5447200000e-01 -4.8019000000e-02 -1.1223160000e+00 -2.2571530000e+00  2.2782080000e+00 -1.4791310000e+00 -2.3335050000e+00  1.3932870000e+00 -1.0689880000e+00 -1.3143810000e+00  2.4349510000e+00
-ENERGY -1.526534319257e+02
-FORCES -2.5024000000e-03  3.8214000000e-03 -2.4727000000e-03  3.6102000000e-03 -5.1220000000e-04  2.2518000000e-03 -3.3460000000e-04 -4.4847000000e-03  7.3160000000e-04  1.7006000000e-03  4.4218000000e-03 -3.9407000000e-03  1.5000000000e-06  8.4970000000e-04  3.0318000000e-03 -2.4754000000e-03 -4.0961000000e-03  3.9820000000e-04
-
-JOB 466
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7426900000e-01 -8.1658800000e-01  4.6802400000e-01  7.0348100000e-01  6.1056000000e-02 -6.4623400000e-01  1.9305470000e+00  5.5400900000e-01 -1.7962070000e+00  2.8808720000e+00  4.4198000000e-01 -1.8199290000e+00  1.6283730000e+00  2.2007000000e-01 -2.6408420000e+00
-ENERGY -1.526595313785e+02
-FORCES  1.2077400000e-02  1.8444000000e-03 -7.9433000000e-03  7.4800000000e-04  2.3381000000e-03 -2.1470000000e-03 -8.8261000000e-03 -3.5498000000e-03  3.2831000000e-03 -8.0340000000e-04 -1.4645000000e-03  2.4281000000e-03 -4.8784000000e-03  1.4420000000e-04 -1.4554000000e-03  1.6825000000e-03  6.8770000000e-04  5.8345000000e-03
-
-JOB 467
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2314400000e-01  2.9741400000e-01 -3.8757000000e-01  2.6271900000e-01 -4.6232600000e-01  7.9590500000e-01  1.3086840000e+00 -2.1206120000e+00  1.3272400000e+00  2.1438000000e+00 -1.6783270000e+00  1.1749330000e+00  9.1831000000e-01 -1.6494170000e+00  2.0633210000e+00
-ENERGY -1.526490220031e+02
-FORCES  8.4735000000e-03 -1.0050700000e-02  2.3952000000e-03 -2.3922000000e-03 -5.9130000000e-04  1.6635000000e-03 -1.1512000000e-03  4.5023000000e-03  5.7085000000e-03  1.6803000000e-03  3.7960000000e-03 -1.4120000000e-04 -5.6358000000e-03 -3.9940000000e-04 -1.8970000000e-04 -9.7460000000e-04  2.7431000000e-03 -9.4364000000e-03
-
-JOB 468
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7837600000e-01 -7.5613700000e-01  5.5916900000e-01  9.5060200000e-01  1.0623500000e-01  3.6085000000e-02  3.0810200000e-01 -1.3096610000e+00 -2.5859790000e+00  2.2461900000e-01 -1.6165180000e+00 -3.4888080000e+00 -5.8999000000e-01 -1.2891680000e+00 -2.2554590000e+00
-ENERGY -1.526554036881e+02
-FORCES  6.5745000000e-03 -3.0819000000e-03 -7.1020000000e-04 -3.6340000000e-04  2.6780000000e-03 -3.0835000000e-03 -3.9201000000e-03  5.5200000000e-04  2.2510000000e-03 -5.2989000000e-03  1.3490000000e-03  1.0671000000e-03  2.5950000000e-04  1.8303000000e-03  4.3174000000e-03  2.7485000000e-03 -3.3275000000e-03 -3.8419000000e-03
-
-JOB 469
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1178700000e-01  5.4640000000e-02  8.0704400000e-01  2.6849000000e-01  9.0186900000e-01 -1.7543600000e-01  2.2950900000e+00 -2.4507440000e+00  1.3106800000e+00  1.9463150000e+00 -2.5947880000e+00  4.3099900000e-01  2.7580070000e+00 -1.6150230000e+00  1.2514330000e+00
-ENERGY -1.526561784669e+02
-FORCES -2.2309000000e-03  3.8178000000e-03  3.3515000000e-03  1.9125000000e-03  4.8790000000e-04 -3.8371000000e-03 -5.4500000000e-04 -3.9679000000e-03  8.9510000000e-04 -1.3218000000e-03  4.4413000000e-03 -5.2091000000e-03  2.6072000000e-03 -1.3189000000e-03  3.6750000000e-03 -4.2190000000e-04 -3.4602000000e-03  1.1247000000e-03
-
-JOB 470
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3871000000e-01  3.1637800000e-01 -7.8972800000e-01  7.0671900000e-01 -3.4673100000e-01  5.4457000000e-01 -1.0681480000e+00 -1.7737810000e+00 -1.9340550000e+00 -6.6560500000e-01 -1.4230100000e+00 -1.1396040000e+00 -4.7646100000e-01 -1.5109220000e+00 -2.6390680000e+00
-ENERGY -1.526571745965e+02
-FORCES  3.5120000000e-03  2.7077000000e-03 -1.1052000000e-03 -2.8988000000e-03 -5.3694000000e-03  2.8005000000e-03 -4.1954000000e-03  5.1970000000e-04 -4.3803000000e-03  4.8066000000e-03  7.0632000000e-03  7.7540000000e-03 -6.8700000000e-05 -5.5156000000e-03 -8.3021000000e-03 -1.1556000000e-03  5.9440000000e-04  3.2331000000e-03
-
-JOB 471
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7469000000e-01 -2.2520600000e-01  8.8885300000e-01  7.3493700000e-01 -2.6548100000e-01 -5.5282800000e-01  1.6798500000e+00 -7.6133400000e-01 -2.1175360000e+00  2.0042680000e+00  3.3207000000e-02 -2.5414340000e+00  2.4682410000e+00 -1.2669020000e+00 -1.9198710000e+00
-ENERGY -1.526602535711e+02
-FORCES  7.2370000000e-03 -4.3179000000e-03 -7.1507000000e-03  5.4810000000e-04 -1.2900000000e-05 -3.7112000000e-03 -4.6718000000e-03  4.0439000000e-03  9.6883000000e-03  2.3690000000e-03  1.3249000000e-03 -2.2588000000e-03 -1.1805000000e-03 -4.5092000000e-03  3.1598000000e-03 -4.3018000000e-03  3.4713000000e-03  2.7260000000e-04
-
-JOB 472
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7875000000e-02 -3.9028300000e-01  8.7054400000e-01  7.4448000000e-01 -4.5020900000e-01 -3.9911600000e-01  5.5886300000e-01  3.0183830000e+00 -4.3186000000e-02  8.3379900000e-01  2.1602500000e+00  2.7969100000e-01 -2.7027600000e-01  2.8517460000e+00 -4.9150700000e-01
-ENERGY -1.526591999998e+02
-FORCES  9.0140000000e-04 -5.5730000000e-03  7.6540000000e-04  1.2145000000e-03  2.6535000000e-03 -4.1585000000e-03 -3.1460000000e-03  3.0858000000e-03  2.7180000000e-03 -4.4810000000e-03 -9.6196000000e-03 -1.0081000000e-03  3.2488000000e-03  6.0927000000e-03  8.8240000000e-04  2.2623000000e-03  3.3606000000e-03  8.0070000000e-04
-
-JOB 473
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0574900000e-01 -1.6018600000e-01  4.9126400000e-01 -3.8776800000e-01  7.6835000000e-01  4.1893500000e-01  2.1828290000e+00 -1.0003300000e-01  1.7218730000e+00  2.8255620000e+00 -8.0505700000e-01  1.7997680000e+00  2.5535590000e+00  6.2012300000e-01  2.2319390000e+00
-ENERGY -1.526600764535e+02
-FORCES  9.1340000000e-03  1.8993000000e-03  9.7772000000e-03 -5.7034000000e-03 -1.7131000000e-03 -5.8677000000e-03  7.7900000000e-04 -1.5248000000e-03 -1.3631000000e-03 -5.7110000000e-04  1.4234000000e-03 -8.6380000000e-04 -2.7476000000e-03  4.1433000000e-03 -3.8500000000e-05 -8.9090000000e-04 -4.2281000000e-03 -1.6441000000e-03
-
-JOB 474
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4818000000e-01  2.5113000000e-02 -1.2867300000e-01 -3.5388200000e-01 -2.1179600000e-01 -8.6379500000e-01  1.4743430000e+00  2.5201630000e+00 -1.7057190000e+00  1.5014930000e+00  2.8329410000e+00 -8.0147100000e-01  6.8667600000e-01  2.9200080000e+00 -2.0744160000e+00
-ENERGY -1.526564514971e+02
-FORCES  3.8454000000e-03  4.3960000000e-04 -6.4759000000e-03 -3.6806000000e-03 -1.0155000000e-03  2.7159000000e-03  9.5100000000e-05  8.4800000000e-05  3.7049000000e-03 -4.6963000000e-03  3.4243000000e-03  3.1334000000e-03  1.0454000000e-03 -1.3841000000e-03 -3.9764000000e-03  3.3910000000e-03 -1.5491000000e-03  8.9810000000e-04
-
-JOB 475
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4909300000e-01 -2.3058800000e-01 -5.4947400000e-01  6.6306000000e-01 -6.5767100000e-01 -2.0988600000e-01  3.1507000000e+00  3.4595900000e-01  1.5239560000e+00  2.8846010000e+00  8.0112300000e-01  7.2505100000e-01  3.6794640000e+00 -3.9011600000e-01  1.2160050000e+00
-ENERGY -1.526542274260e+02
-FORCES -1.2163000000e-03 -4.4503000000e-03 -2.0329000000e-03  3.3160000000e-03  8.6430000000e-04  2.4930000000e-03 -2.2531000000e-03  3.5076000000e-03 -6.1710000000e-04  7.3070000000e-04  6.8050000000e-04 -3.7526000000e-03  2.4838000000e-03 -3.2039000000e-03  3.0725000000e-03 -3.0610000000e-03  2.6019000000e-03  8.3700000000e-04
-
-JOB 476
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7198800000e-01 -6.3787000000e-01 -2.4038500000e-01 -4.8756300000e-01  7.2987600000e-01  3.8183200000e-01 -2.0756360000e+00 -1.8427530000e+00 -5.6125900000e-01 -1.8700630000e+00 -2.6163630000e+00 -3.6379000000e-02 -2.8454370000e+00 -2.0960020000e+00 -1.0706740000e+00
-ENERGY -1.526609766553e+02
-FORCES -1.0170400000e-02 -3.9480000000e-03 -2.1842000000e-03  7.5119000000e-03  2.9460000000e-03  3.9508000000e-03  1.4971000000e-03 -1.8552000000e-03 -1.0631000000e-03 -7.0790000000e-04 -8.5610000000e-04 -1.1565000000e-03 -1.1468000000e-03  4.2530000000e-03 -3.0760000000e-03  3.0161000000e-03 -5.3970000000e-04  3.5290000000e-03
-
-JOB 477
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0535600000e-01  4.3075000000e-01 -2.8651000000e-01 -7.0158500000e-01  5.7430900000e-01 -3.0688600000e-01  1.0605330000e+00  2.4460220000e+00 -1.8654680000e+00  1.6001210000e+00  2.5316280000e+00 -2.6514380000e+00  5.0093600000e-01  1.6892580000e+00 -2.0397990000e+00
-ENERGY -1.526554968511e+02
-FORCES  1.4673000000e-03  5.9833000000e-03  6.9360000000e-04 -5.1407000000e-03 -4.0599000000e-03 -1.0538000000e-03  3.4156000000e-03 -3.0081000000e-03 -1.3233000000e-03  2.0260000000e-04 -1.0140000000e-03 -6.1749000000e-03 -2.5559000000e-03 -5.7610000000e-04  3.6668000000e-03  2.6111000000e-03  2.6748000000e-03  4.1915000000e-03
-
-JOB 478
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3516800000e-01  8.2333000000e-02 -1.8685500000e-01 -4.2297900000e-01  7.2454000000e-02 -8.5561200000e-01 -2.2824580000e+00  1.9090700000e-01 -1.7019450000e+00 -2.3318430000e+00 -1.2190000000e-01 -2.6052420000e+00 -2.3427130000e+00  1.1434720000e+00 -1.7742110000e+00
-ENERGY -1.526587577319e+02
-FORCES -4.9596000000e-03 -5.4280000000e-04 -6.1303000000e-03 -4.2465000000e-03 -7.8100000000e-05 -8.9170000000e-04  9.3808000000e-03  1.6343000000e-03  4.5341000000e-03 -4.0334000000e-03  2.5210000000e-03 -2.0675000000e-03  1.7303000000e-03  1.8997000000e-03  4.7823000000e-03  2.1283000000e-03 -5.4341000000e-03 -2.2690000000e-04
-
-JOB 479
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8996800000e-01 -6.7267900000e-01  3.4010600000e-01  5.7514300000e-01  7.2995900000e-01 -2.2935300000e-01 -1.1201390000e+00  1.1214730000e+00  2.9204890000e+00 -5.9222300000e-01  1.4738470000e+00  2.2039910000e+00 -1.8571290000e+00  6.9153100000e-01  2.4866380000e+00
-ENERGY -1.526568938981e+02
-FORCES  5.5835000000e-03 -2.0638000000e-03 -4.4260000000e-04 -2.4878000000e-03  3.2595000000e-03 -2.0427000000e-03 -3.2763000000e-03 -2.3782000000e-03  2.6461000000e-03 -6.5680000000e-04 -2.2671000000e-03 -8.2019000000e-03 -5.7780000000e-04  1.5689000000e-03  4.4761000000e-03  1.4153000000e-03  1.8806000000e-03  3.5650000000e-03
-
-JOB 480
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6311200000e-01  4.6115100000e-01 -3.4818300000e-01  3.6498800000e-01 -6.4358700000e-01  6.0729900000e-01 -2.5465580000e+00  3.4669300000e-01  1.5613930000e+00 -2.5448280000e+00  1.0090440000e+00  2.2524210000e+00 -1.7328310000e+00  4.9904000000e-01  1.0809040000e+00
-ENERGY -1.526608669446e+02
-FORCES  5.5192000000e-03 -1.8603000000e-03 -7.3050000000e-04 -2.9557000000e-03 -2.7518000000e-03  2.0412000000e-03 -1.6575000000e-03  4.3915000000e-03 -2.6723000000e-03  5.9784000000e-03  2.7695000000e-03 -3.0862000000e-03  6.8290000000e-04 -2.2431000000e-03 -2.4405000000e-03 -7.5673000000e-03 -3.0590000000e-04  6.8883000000e-03
-
-JOB 481
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6950800000e-01 -1.9043200000e-01 -3.5202800000e-01 -3.5871900000e-01 -8.5707600000e-01  2.3015800000e-01  5.9745800000e-01  5.2018800000e-01 -3.3781750000e+00  6.9554300000e-01  1.7529700000e-01 -4.2656780000e+00  1.3173350000e+00  1.2516700000e-01 -2.8862730000e+00
-ENERGY -1.526512481351e+02
-FORCES  1.0779000000e-03 -4.1254000000e-03 -1.4812000000e-03 -2.4432000000e-03  6.6320000000e-04  4.4930000000e-04  1.6386000000e-03  3.5878000000e-03 -7.0230000000e-04  3.0517000000e-03 -2.7492000000e-03 -1.6396000000e-03 -7.9150000000e-04  1.4645000000e-03  4.0069000000e-03 -2.5334000000e-03  1.1591000000e-03 -6.3320000000e-04
-
-JOB 482
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9129900000e-01  7.0636600000e-01 -5.1396900000e-01  5.2610900000e-01 -3.5376000000e-02  7.9886800000e-01 -2.1713990000e+00  9.4424500000e-01  1.2954920000e+00 -2.4211020000e+00  1.7475830000e+00  8.3884300000e-01 -1.3817780000e+00  6.4682000000e-01  8.4353000000e-01
-ENERGY -1.526582445051e+02
-FORCES -4.0400000000e-05  3.1876000000e-03  2.1766000000e-03 -3.3355000000e-03 -2.9583000000e-03  3.9378000000e-03 -6.0116000000e-03  2.2053000000e-03 -4.1726000000e-03  1.2088100000e-02 -5.1291000000e-03 -1.1121300000e-02  2.0863000000e-03 -2.3127000000e-03  5.0530000000e-04 -4.7869000000e-03  5.0073000000e-03  8.6742000000e-03
-
-JOB 483
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0037800000e-01 -8.0323600000e-01  4.2522700000e-01 -4.8796200000e-01  3.2868000000e-02 -8.2282700000e-01 -3.4045690000e+00  1.0925860000e+00  2.4447760000e+00 -3.4986360000e+00  8.6034600000e-01  3.3685990000e+00 -2.4732200000e+00  1.2870250000e+00  2.3398310000e+00
-ENERGY -1.526557543425e+02
-FORCES -3.1706000000e-03 -3.7107000000e-03 -2.6831000000e-03  1.4443000000e-03  3.6690000000e-03 -1.3105000000e-03  2.3071000000e-03 -1.3240000000e-04  3.4243000000e-03  3.7643000000e-03  5.7530000000e-04  3.2070000000e-03  4.1880000000e-04  7.2020000000e-04 -3.7591000000e-03 -4.7639000000e-03 -1.1213000000e-03  1.1213000000e-03
-
-JOB 484
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3668100000e-01 -2.5595500000e-01  6.6735000000e-01  4.7999700000e-01  5.9817000000e-01 -5.7273700000e-01 -1.7794750000e+00  2.6327450000e+00 -1.8787430000e+00 -1.3736130000e+00  2.9075720000e+00 -1.0565650000e+00 -1.9872560000e+00  3.4513640000e+00 -2.3292110000e+00
-ENERGY -1.526543865288e+02
-FORCES  4.5716000000e-03  4.0350000000e-04 -7.7960000000e-04 -2.8026000000e-03  1.2608000000e-03 -2.7716000000e-03 -1.5953000000e-03 -1.9198000000e-03  3.8910000000e-03 -5.4130000000e-04  4.4035000000e-03  2.1179000000e-03 -5.3970000000e-04 -6.3290000000e-04 -4.4021000000e-03  9.0720000000e-04 -3.5151000000e-03  1.9444000000e-03
-
-JOB 485
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8828900000e-01  7.2269200000e-01 -5.9874500000e-01 -8.0183300000e-01 -1.0197100000e-01  5.1273600000e-01 -2.2907180000e+00 -2.4710300000e-01  1.4692130000e+00 -2.0574660000e+00  2.3850600000e-01  2.2604210000e+00 -1.8622000000e+00 -1.0965960000e+00  1.5739320000e+00
-ENERGY -1.526571764209e+02
-FORCES -1.5276500000e-02  2.7128000000e-03  4.9198000000e-03  6.7090000000e-04 -1.6782000000e-03  2.0062000000e-03  8.5542000000e-03 -6.5979000000e-03  6.0570000000e-04  3.8175000000e-03 -7.5750000000e-04  2.8009000000e-03 -9.0500000000e-05 -2.7077000000e-03 -5.5632000000e-03  2.3245000000e-03  9.0285000000e-03 -4.7694000000e-03
-
-JOB 486
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4185400000e-01  9.3932300000e-01  1.1739800000e-01 -2.7784800000e-01 -3.1030700000e-01  8.6182500000e-01  5.6399400000e-01  2.9315320000e+00  6.6702000000e-02  1.2860230000e+00  2.9442140000e+00  6.9498900000e-01  9.7307200000e-01  3.1398280000e+00 -7.7323800000e-01
-ENERGY -1.526612513442e+02
-FORCES -7.2810000000e-04  8.5705000000e-03  2.4216000000e-03  1.4180000000e-04 -1.1134800000e-02  8.1420000000e-04  1.4841000000e-03  1.7443000000e-03 -2.4038000000e-03  4.9892000000e-03  3.7238000000e-03 -2.4153000000e-03 -4.2386000000e-03 -1.8117000000e-03 -3.2119000000e-03 -1.6484000000e-03 -1.0921000000e-03  4.7953000000e-03
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-JOB 487
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4870000000e-02 -5.9888000000e-01 -7.4629500000e-01  4.6747600000e-01 -4.8409200000e-01  6.8070000000e-01  1.3617730000e+00 -1.2112600000e+00  2.0171030000e+00  1.4532590000e+00 -2.1522900000e+00  2.1665160000e+00  1.7567750000e+00 -8.0615900000e-01  2.7891770000e+00
-ENERGY -1.526601588230e+02
-FORCES  7.2815000000e-03 -7.1597000000e-03  8.8852000000e-03  4.9990000000e-04  5.9350000000e-04  2.9642000000e-03 -4.5676000000e-03  3.0752000000e-03 -7.1385000000e-03 -2.1182000000e-03  2.7260000000e-03 -1.7625000000e-03  2.4100000000e-04  4.7560000000e-03 -9.6400000000e-05 -1.3366000000e-03 -3.9910000000e-03 -2.8520000000e-03
-
-JOB 488
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3220900000e-01 -8.9740300000e-01 -3.0564900000e-01 -5.3242200000e-01 -9.1587000000e-02  7.9017100000e-01 -2.8809360000e+00 -1.6118500000e-01 -1.6826430000e+00 -2.9211230000e+00 -9.2401900000e-01 -1.1058410000e+00 -3.5897730000e+00 -2.9797200000e-01 -2.3111900000e+00
-ENERGY -1.526518402299e+02
-FORCES -2.4248000000e-03 -2.8888000000e-03  5.1360000000e-04 -7.4300000000e-04  3.1544000000e-03  1.8886000000e-03  2.0778000000e-03 -4.0380000000e-04 -3.1216000000e-03 -2.7461000000e-03 -3.3707000000e-03 -4.5400000000e-05  3.2000000000e-04  2.7365000000e-03 -1.9264000000e-03  3.5160000000e-03  7.7250000000e-04  2.6912000000e-03
-
-JOB 489
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0784900000e-01  6.1853900000e-01 -5.2510100000e-01 -1.3616500000e-01 -7.5051700000e-01 -5.7828700000e-01  2.4822730000e+00 -1.2607310000e+00 -1.3783680000e+00  1.9407380000e+00 -9.5485700000e-01 -2.1059760000e+00  2.1224790000e+00 -2.1193660000e+00 -1.1558270000e+00
-ENERGY -1.526514118288e+02
-FORCES  6.8725000000e-03 -1.6263000000e-03 -4.6784000000e-03 -3.9562000000e-03 -1.2406000000e-03  7.9180000000e-04 -3.7690000000e-04  1.7074000000e-03  1.0004000000e-03 -3.6454000000e-03 -2.7490000000e-03  1.0210000000e-04  4.5600000000e-04 -5.2500000000e-05  4.5321000000e-03  6.5000000000e-04  3.9611000000e-03 -1.7480000000e-03
-
-JOB 490
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9760300000e-01 -7.1010900000e-01 -2.3419600000e-01 -8.1005200000e-01 -2.0409100000e-01 -4.6732800000e-01  7.2673600000e-01  4.2917200000e-01  2.6078260000e+00  6.9471100000e-01  1.3625510000e+00  2.8176150000e+00  4.6081900000e-01  3.8031900000e-01  1.6896040000e+00
-ENERGY -1.526610540190e+02
-FORCES -1.3186000000e-03 -2.4486000000e-03  2.8812000000e-03 -3.8848000000e-03  3.7746000000e-03  1.6655000000e-03  4.7633000000e-03  6.0800000000e-05  7.2200000000e-04 -4.7692000000e-03  8.8520000000e-04 -1.1998600000e-02 -5.2790000000e-04 -2.5693000000e-03 -1.4449000000e-03  5.7371000000e-03  2.9730000000e-04  8.1748000000e-03
-
-JOB 491
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2633700000e-01  2.1713100000e-01 -4.3157100000e-01 -8.1483000000e-02 -9.4837500000e-01 -1.0088400000e-01  2.8394650000e+00 -1.9152860000e+00  7.3248600000e-01  2.9569130000e+00 -1.0832930000e+00  1.1909890000e+00  2.5769560000e+00 -1.6660090000e+00 -1.5361900000e-01
-ENERGY -1.526531464006e+02
-FORCES  2.1137000000e-03 -3.8759000000e-03 -1.4270000000e-03 -2.0322000000e-03 -1.7261000000e-03  2.0911000000e-03  5.2420000000e-04  4.7743000000e-03 -7.7160000000e-04 -1.8690000000e-04  4.8885000000e-03 -3.4630000000e-04  1.2370000000e-04 -3.7195000000e-03 -2.7894000000e-03 -5.4250000000e-04 -3.4140000000e-04  3.2432000000e-03
-
-JOB 492
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7786300000e-01 -9.3775700000e-01  7.2174000000e-02  5.6004800000e-01  1.9653800000e-01  7.5096600000e-01 -1.1095320000e+00  1.5761500000e-01 -3.1761810000e+00 -1.5101010000e+00  9.0110400000e-01 -2.7256260000e+00 -1.7219120000e+00 -5.4375000000e-02 -3.8806550000e+00
-ENERGY -1.526546472400e+02
-FORCES  1.9434000000e-03 -4.3150000000e-03  2.2646000000e-03  7.5830000000e-04  3.9202000000e-03  1.1449000000e-03 -2.3763000000e-03 -6.6050000000e-04 -3.2671000000e-03 -3.5080000000e-03  3.4326000000e-03  4.3910000000e-04  5.4250000000e-04 -2.8518000000e-03 -3.7357000000e-03  2.6401000000e-03  4.7450000000e-04  3.1541000000e-03
-
-JOB 493
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1585300000e-01 -2.1470800000e-01  4.5223500000e-01 -9.1190000000e-03 -5.7556700000e-01 -7.6476900000e-01  2.8600470000e+00 -5.6792800000e-01  6.7980000000e-01  3.4158180000e+00 -8.7395700000e-01 -3.6927000000e-02  3.2935070000e+00  2.2381800000e-01  9.9836400000e-01
-ENERGY -1.526605104665e+02
-FORCES  9.1726000000e-03 -4.5366000000e-03  1.1370000000e-04 -8.8489000000e-03  2.8496000000e-03 -6.9370000000e-04 -3.9700000000e-04  1.8376000000e-03  1.7509000000e-03  4.3289000000e-03  2.2042000000e-03 -2.8186000000e-03 -2.1315000000e-03  1.6309000000e-03  3.4327000000e-03 -2.1241000000e-03 -3.9856000000e-03 -1.7850000000e-03
-
-JOB 494
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1297900000e-01  1.3364100000e-01 -7.2293100000e-01 -8.1841600000e-01  3.9276800000e-01 -3.0357900000e-01 -2.6043970000e+00 -1.3835810000e+00  9.8420400000e-01 -2.9282840000e+00 -2.2180590000e+00  1.3232830000e+00 -2.1031000000e+00 -1.6199810000e+00  2.0378800000e-01
-ENERGY -1.526554960483e+02
-FORCES -7.4730000000e-04  4.7402000000e-03 -2.2556000000e-03 -3.0138000000e-03 -1.1950000000e-03  3.2544000000e-03  4.1349000000e-03 -3.7342000000e-03 -4.5900000000e-04  3.3638000000e-03 -4.7126000000e-03 -8.0840000000e-04  1.4608000000e-03  3.0790000000e-03 -1.4494000000e-03 -5.1983000000e-03  1.8225000000e-03  1.7180000000e-03
-
-JOB 495
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1628300000e-01 -2.6276800000e-01  8.7241000000e-02 -1.2520900000e-01  1.2530000000e-01 -9.4066700000e-01 -5.8127600000e-01  5.6177500000e-01 -2.6738140000e+00 -1.7218000000e-02  1.3216610000e+00 -2.8174960000e+00 -1.4254650000e+00  9.3425400000e-01 -2.4191840000e+00
-ENERGY -1.526605554021e+02
-FORCES -3.9800000000e-05 -1.8410000000e-04 -1.3308600000e-02 -2.5159000000e-03  1.5107000000e-03 -1.4290000000e-03  9.1620000000e-04  1.1509000000e-03  1.1296800000e-02 -1.9846000000e-03  4.7200000000e-03  6.6080000000e-04 -2.5380000000e-03 -4.7520000000e-03  2.5129000000e-03  6.1622000000e-03 -2.4455000000e-03  2.6720000000e-04
-
-JOB 496
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7918400000e-01 -1.7838600000e-01 -3.3383300000e-01 -5.1794400000e-01 -7.5801100000e-01 -2.7089500000e-01  2.5639510000e+00  4.8195500000e-01 -5.4388500000e-01  3.2589250000e+00  1.0767000000e-01 -2.4480000000e-03  2.3862860000e+00  1.3359610000e+00 -1.4975200000e-01
-ENERGY -1.526606112004e+02
-FORCES  1.2512900000e-02  3.1580000000e-04 -4.1621000000e-03 -1.0396100000e-02 -1.2023000000e-03  2.7926000000e-03  4.1125000000e-03  1.5092000000e-03  1.4650000000e-04 -4.1015000000e-03  2.9114000000e-03  5.2890000000e-03 -3.9748000000e-03  1.8415000000e-03 -2.1992000000e-03  1.8470000000e-03 -5.3755000000e-03 -1.8667000000e-03
-
-JOB 497
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9886300000e-01  5.9478900000e-01 -5.5999400000e-01  6.3756600000e-01 -6.5629200000e-01  2.8110800000e-01 -1.5404260000e+00 -6.0861900000e-01 -2.4080530000e+00 -1.2313420000e+00 -3.2312900000e-01 -1.5482890000e+00 -2.2525880000e+00 -1.2188610000e+00 -2.2165820000e+00
-ENERGY -1.526607549682e+02
-FORCES  6.0951000000e-03 -2.0192000000e-03 -9.3120000000e-04 -4.3897000000e-03 -4.0559000000e-03  1.8197000000e-03 -2.4026000000e-03  3.7808000000e-03 -8.6290000000e-04  1.5664000000e-03 -5.3550000000e-04  9.7940000000e-03 -3.3477000000e-03  1.2107000000e-03 -9.4876000000e-03  2.4785000000e-03  1.6192000000e-03 -3.3200000000e-04
-
-JOB 498
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6789000000e-02 -8.2079400000e-01  4.9218700000e-01  2.6487000000e-02  6.8252700000e-01  6.7058700000e-01 -2.3724200000e+00  6.5656200000e-01 -1.2207230000e+00 -1.6195200000e+00  3.4662700000e-01 -7.1742100000e-01 -2.2129600000e+00  3.4076500000e-01 -2.1101480000e+00
-ENERGY -1.526606051517e+02
-FORCES -1.1139000000e-03  9.3750000000e-04  2.2213000000e-03 -1.0336000000e-03  4.9008000000e-03 -2.6594000000e-03 -1.9298000000e-03 -4.6647000000e-03 -3.9278000000e-03  1.4273500000e-02 -5.0158000000e-03  3.3200000000e-03 -9.6621000000e-03  3.3967000000e-03 -1.3962000000e-03 -5.3410000000e-04  4.4550000000e-04  2.4421000000e-03
-
-JOB 499
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0470600000e-01  7.0656000000e-02  7.3862700000e-01  2.2510400000e-01 -9.2958700000e-01 -3.7790000000e-02  1.1428840000e+00 -2.3863520000e+00 -6.0404700000e-01  2.5917100000e-01 -2.7309820000e+00 -4.7554200000e-01  1.2068330000e+00 -2.2354190000e+00 -1.5471070000e+00
-ENERGY -1.526552383896e+02
-FORCES  7.6174000000e-03 -1.0807000000e-02 -5.7700000000e-04  2.4740000000e-03 -3.2764000000e-03 -2.7632000000e-03 -1.0744400000e-02  2.7413000000e-03  7.1240000000e-04 -2.0034000000e-03  3.1720000000e-03 -5.3001000000e-03  3.5996000000e-03  9.3550000000e-03  2.2685000000e-03 -9.4320000000e-04 -1.1849000000e-03  5.6593000000e-03
-
-JOB 500
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4133400000e-01 -8.5671000000e-01  4.0287000000e-01 -4.7459000000e-01 -1.9064200000e-01 -8.0910600000e-01 -2.6967300000e-01  3.4105590000e+00 -2.2576340000e+00  2.5389500000e-01  2.7962520000e+00 -2.7721580000e+00  4.1201000000e-02  4.2749230000e+00 -2.5268260000e+00
-ENERGY -1.526535195652e+02
-FORCES -2.1210000000e-03 -3.8560000000e-03 -1.4976000000e-03 -4.8410000000e-04  3.6426000000e-03 -1.6249000000e-03  2.5859000000e-03  2.9800000000e-04  2.9916000000e-03  4.0952000000e-03  1.1367000000e-03 -2.4167000000e-03 -2.7273000000e-03  2.2620000000e-03  1.5412000000e-03 -1.3487000000e-03 -3.4833000000e-03  1.0064000000e-03
-
-JOB 501
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2846100000e-01 -4.2212000000e-01 -8.4943800000e-01 -8.6327500000e-01 -2.9715800000e-01  2.8754900000e-01  1.4489580000e+00 -1.7693600000e-01  2.3823320000e+00  1.0369160000e+00 -2.5738800000e-01  1.5221110000e+00  2.1042410000e+00  5.1187400000e-01  2.2710780000e+00
-ENERGY -1.526612555157e+02
-FORCES -1.9025000000e-03 -1.9097000000e-03 -1.7900000000e-04 -1.3125000000e-03  2.0871000000e-03  4.4049000000e-03  5.5852000000e-03  6.3070000000e-04 -1.6739000000e-03 -3.9312000000e-03  3.3069000000e-03 -1.2020300000e-02  3.0725000000e-03 -2.0322000000e-03  9.2922000000e-03 -1.5115000000e-03 -2.0828000000e-03  1.7610000000e-04
-
-JOB 502
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1139100000e-01 -3.8600000000e-03 -8.6427700000e-01 -9.3980900000e-01 -6.1830000000e-03 -1.8152700000e-01  2.3230110000e+00 -2.2828000000e-01  3.4125500000e+00  3.1281950000e+00 -4.7883100000e-01  3.8654680000e+00  1.9718390000e+00 -1.0518860000e+00  3.0740480000e+00
-ENERGY -1.526540328680e+02
-FORCES -2.1163000000e-03  8.5160000000e-04 -4.4101000000e-03 -1.8012000000e-03 -2.5820000000e-04  3.5253000000e-03  3.9306000000e-03 -1.6880000000e-04  7.5850000000e-04  9.7150000000e-04 -4.4024000000e-03 -4.9690000000e-04 -3.1792000000e-03  1.1290000000e-03 -1.8993000000e-03  2.1945000000e-03  2.8488000000e-03  2.5224000000e-03
-
-JOB 503
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6218900000e-01  6.2236600000e-01 -6.3064300000e-01  5.2934500000e-01  1.2152600000e-01  7.8819900000e-01  1.7052960000e+00 -2.1641180000e+00 -6.0143500000e-01  8.6885500000e-01 -1.7145050000e+00 -4.8124200000e-01  1.5451090000e+00 -2.7824700000e+00 -1.3143240000e+00
-ENERGY -1.526610788374e+02
-FORCES  6.4450000000e-03  3.5864000000e-03  3.3550000000e-04 -2.0573000000e-03 -3.0572000000e-03  3.0619000000e-03 -2.8272000000e-03 -1.3955000000e-03 -4.5562000000e-03 -8.2432000000e-03  5.2182000000e-03  3.8160000000e-04  7.3588000000e-03 -7.6207000000e-03 -1.2187000000e-03 -6.7610000000e-04  3.2688000000e-03  1.9960000000e-03
-
-JOB 504
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3382800000e-01  8.9524000000e-01 -5.7762000000e-02  5.9708600000e-01  1.4315000000e-02  7.4800800000e-01  4.1401300000e-01 -2.9981350000e+00  2.9388000000e-02  4.0142600000e-01 -2.1396240000e+00  4.5251000000e-01 -4.5421700000e-01 -3.3628910000e+00  2.0074000000e-01
-ENERGY -1.526544637303e+02
-FORCES  7.3270000000e-04  5.4125000000e-03  8.7800000000e-04  1.8102000000e-03 -3.9616000000e-03  1.9320000000e-04 -3.9289000000e-03 -4.4026000000e-03 -3.4993000000e-03 -5.9080000000e-03  5.9557000000e-03 -1.3240000000e-04  3.9700000000e-03 -3.4114000000e-03  3.0592000000e-03  3.3240000000e-03  4.0740000000e-04 -4.9870000000e-04
-
-JOB 505
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1013700000e-01  3.3759000000e-02  8.6422200000e-01  5.3716900000e-01  5.7667200000e-01 -5.4325900000e-01  1.3347030000e+00  1.7164320000e+00 -1.5038880000e+00  2.1580320000e+00  1.5396710000e+00 -1.0487880000e+00  1.5022740000e+00  1.4609740000e+00 -2.4110230000e+00
-ENERGY -1.526564344141e+02
-FORCES  7.8591000000e-03  1.3339100000e-02 -1.0137100000e-02  9.3380000000e-04  1.3135000000e-03 -3.9203000000e-03  9.7170000000e-04 -7.6082000000e-03  7.8052000000e-03 -1.6103000000e-03 -5.8479000000e-03  9.2780000000e-04 -7.9182000000e-03 -2.3766000000e-03 -3.7560000000e-04 -2.3600000000e-04  1.1800000000e-03  5.6999000000e-03
-
-JOB 506
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0123200000e-01  3.4105200000e-01 -6.6214500000e-01  5.2249300000e-01 -6.2928300000e-01  4.9722800000e-01  2.7421300000e-01 -3.9796250000e+00 -1.4146640000e+00 -2.5464600000e-01 -4.0479830000e+00 -2.2095650000e+00 -3.2451900000e-01 -3.6240650000e+00 -7.5790900000e-01
-ENERGY -1.526554088533e+02
-FORCES  5.5074000000e-03 -8.2780000000e-04 -1.0178000000e-03 -2.6520000000e-03 -9.7300000000e-04  2.8299000000e-03 -2.9267000000e-03  2.3261000000e-03 -1.7527000000e-03 -5.3717000000e-03  1.3683000000e-03 -9.4670000000e-04  2.2866000000e-03 -6.0000000000e-07  3.1093000000e-03  3.1565000000e-03 -1.8929000000e-03 -2.2219000000e-03
-
-JOB 507
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5608500000e-01 -3.5758000000e-02 -8.4079700000e-01 -3.2558700000e-01 -8.9002700000e-01  1.3445100000e-01  6.4417700000e-01  1.3388120000e+00  2.2481470000e+00  1.6003750000e+00  1.3768870000e+00  2.2697690000e+00  4.4230700000e-01  8.1586600000e-01  1.4722560000e+00
-ENERGY -1.526598730178e+02
-FORCES  2.5749000000e-03  1.7082000000e-03  2.8703000000e-03 -2.5959000000e-03 -1.4667000000e-03  4.0583000000e-03  2.5892000000e-03  4.7438000000e-03 -1.1732000000e-03 -1.2845000000e-03 -7.2821000000e-03 -1.3546200000e-02 -2.5256000000e-03 -4.3730000000e-04 -1.0478000000e-03  1.2419000000e-03  2.7342000000e-03  8.8386000000e-03
-
-JOB 508
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0647600000e-01  3.9070200000e-01 -8.4908800000e-01 -8.6415300000e-01  3.4770200000e-01  2.2039800000e-01 -2.5367010000e+00  6.5675000000e-01  6.1351100000e-01 -3.2842270000e+00  8.5022000000e-02  7.8833600000e-01 -2.9255940000e+00  1.5140970000e+00  4.4045200000e-01
-ENERGY -1.526596061708e+02
-FORCES -1.3912000000e-02  3.6730000000e-03  1.5417000000e-03 -1.7069000000e-03 -2.3630000000e-04  2.5401000000e-03  8.5132000000e-03  1.1600000000e-04 -2.1763000000e-03  3.7122000000e-03 -3.5175000000e-03 -1.3538000000e-03  1.8914000000e-03  4.7777000000e-03 -8.4270000000e-04  1.5021000000e-03 -4.8129000000e-03  2.9100000000e-04
-
-JOB 509
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0435800000e-01  7.9406000000e-02 -9.0404300000e-01  1.6386900000e-01  9.0113800000e-01  2.7808100000e-01  2.3627680000e+00  1.4257310000e+00  2.6173380000e+00  2.9434380000e+00  1.9285890000e+00  2.0462090000e+00  1.4840630000e+00  1.7373520000e+00  2.4005380000e+00
-ENERGY -1.526520312294e+02
-FORCES -3.7780000000e-04  3.5149000000e-03 -2.9780000000e-03  1.4853000000e-03 -4.1290000000e-04  3.9450000000e-03 -7.6050000000e-04 -2.7087000000e-03 -3.6200000000e-05 -7.0340000000e-04  2.5550000000e-03 -2.6168000000e-03 -2.8724000000e-03 -1.9477000000e-03  2.3067000000e-03  3.2288000000e-03 -1.0006000000e-03 -6.2070000000e-04
-
-JOB 510
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2992900000e-01 -4.5349600000e-01  7.2507600000e-01  4.8189200000e-01  7.1481400000e-01  4.1599600000e-01 -1.8281900000e+00  1.1571120000e+00 -1.5458060000e+00 -2.0856240000e+00  8.4364300000e-01 -2.4128100000e+00 -1.2126580000e+00  4.9786600000e-01 -1.2252650000e+00
-ENERGY -1.526600931997e+02
-FORCES -4.5254000000e-03  7.0867000000e-03  1.8100000000e-04  1.9145000000e-03  2.6325000000e-03 -3.8314000000e-03 -1.8735000000e-03 -4.6837000000e-03 -4.8960000000e-04  1.0167000000e-02 -6.6064000000e-03  7.0412000000e-03  2.5287000000e-03 -9.3550000000e-04  3.6727000000e-03 -8.2112000000e-03  2.5063000000e-03 -6.5740000000e-03
-
-JOB 511
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3815000000e-01 -8.1794300000e-01 -3.6449300000e-01 -2.6928000000e-01 -1.7082000000e-02  9.1838400000e-01 -2.0087510000e+00  1.6159320000e+00 -4.2638200000e-01 -1.4182000000e+00  2.3312790000e+00 -6.6251600000e-01 -1.4612990000e+00  8.3149400000e-01 -4.6081600000e-01
-ENERGY -1.526545864127e+02
-FORCES -6.7628000000e-03  4.8775000000e-03  3.1770000000e-03 -2.5915000000e-03  8.5497000000e-03  1.2053000000e-03 -2.1230000000e-04  1.8830000000e-04 -6.8175000000e-03  2.0178500000e-02 -9.9217000000e-03  7.2880000000e-04 -2.3676000000e-03 -7.1760000000e-04  9.3940000000e-04 -8.2442000000e-03 -2.9762000000e-03  7.6690000000e-04
-
-JOB 512
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0656400000e-01 -6.1042700000e-01  7.2955800000e-01 -9.3061900000e-01  2.2385400000e-01  8.3620000000e-03 -2.6858440000e+00  7.4055700000e-01  4.8733300000e-01 -3.3780900000e+00  1.2962040000e+00  8.4550100000e-01 -2.6908790000e+00  9.2615400000e-01 -4.5168800000e-01
-ENERGY -1.526567177603e+02
-FORCES -9.1453000000e-03  4.1780000000e-04  7.3427000000e-03  8.8930000000e-04  1.5321000000e-03 -2.2705000000e-03  1.5878000000e-03 -2.5500000000e-04 -8.5645000000e-03 -3.7590000000e-04  3.6272000000e-03  5.9700000000e-05  2.2427000000e-03 -2.7803000000e-03 -2.7297000000e-03  4.8014000000e-03 -2.5418000000e-03  6.1622000000e-03
-
-JOB 513
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4256700000e-01 -9.2085500000e-01 -9.7049000000e-02  4.2918500000e-01  2.2344700000e-01 -8.2589600000e-01  1.9356870000e+00  5.7943800000e-01 -1.8266450000e+00  2.1394250000e+00  1.4995550000e+00 -1.9942980000e+00  2.7073520000e+00  2.4175800000e-01 -1.3719610000e+00
-ENERGY -1.526602997428e+02
-FORCES  8.3884000000e-03  1.4155000000e-03 -1.0822700000e-02  2.1109000000e-03  2.6549000000e-03 -2.7160000000e-04 -7.6943000000e-03 -1.9129000000e-03  6.1080000000e-03  8.8770000000e-04  3.6350000000e-04  6.8768000000e-03 -7.1510000000e-04 -4.6582000000e-03  1.4890000000e-03 -2.9776000000e-03  2.1373000000e-03 -3.3795000000e-03
-
-JOB 514
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0550800000e-01 -8.6572700000e-01 -3.5286700000e-01  2.8504000000e-02 -1.2790000000e-01  9.4818800000e-01  4.5956000000e-02 -2.5911990000e+00 -1.1819820000e+00  1.0531000000e-01 -2.4812150000e+00 -2.1309880000e+00 -1.2149200000e-01 -3.5255380000e+00 -1.0586800000e+00
-ENERGY -1.526606406212e+02
-FORCES  2.8860000000e-04 -1.0711900000e-02 -6.0480000000e-04 -7.1070000000e-04  9.0411000000e-03  1.5969000000e-03 -2.6360000000e-04  2.2040000000e-04 -2.6050000000e-03  2.4810000000e-04 -1.3394000000e-03 -1.6578000000e-03 -9.3540000000e-04 -1.1560000000e-03  4.9528000000e-03  1.3730000000e-03  3.9459000000e-03 -1.6822000000e-03
-
-JOB 515
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0591600000e-01  8.4977400000e-01  4.2766500000e-01  8.5926400000e-01 -4.1508600000e-01  7.4835000000e-02  6.9008000000e-02  2.5620490000e+00  7.3026700000e-01  5.5362400000e-01  3.3639370000e+00  5.3442100000e-01 -4.5937100000e-01  2.7822700000e+00  1.4974370000e+00
-ENERGY -1.526588633826e+02
-FORCES  2.8583000000e-03  1.3949400000e-02  3.5063000000e-03 -1.9976000000e-03 -8.3238000000e-03  1.2338000000e-03 -1.9851000000e-03  2.4776000000e-03 -6.5800000000e-05  9.6500000000e-04 -4.1653000000e-03 -3.0950000000e-03 -3.3383000000e-03 -2.6349000000e-03  2.5367000000e-03  3.4977000000e-03 -1.3030000000e-03 -4.1160000000e-03
-
-JOB 516
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0882200000e-01 -6.3928100000e-01 -4.9865000000e-01 -9.0995400000e-01 -1.8160000000e-01 -2.3502600000e-01 -1.1575160000e+00  2.9376320000e+00  8.8705400000e-01 -3.8789100000e-01  2.7401710000e+00  3.5327700000e-01 -9.5881300000e-01  3.7821220000e+00  1.2915110000e+00
-ENERGY -1.526570965423e+02
-FORCES -2.9223000000e-03 -4.7095000000e-03 -2.0724000000e-03 -2.1708000000e-03  2.8662000000e-03  2.1630000000e-03  4.7517000000e-03  1.1680000000e-04  3.9100000000e-05  5.1562000000e-03  7.7260000000e-04 -4.3550000000e-04 -4.3220000000e-03  4.2428000000e-03  1.9267000000e-03 -4.9280000000e-04 -3.2889000000e-03 -1.6209000000e-03
-
-JOB 517
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7358300000e-01 -3.5893100000e-01  8.0488200000e-01  2.2884100000e-01 -6.3782300000e-01 -6.7605100000e-01  7.8074400000e-01 -1.0614920000e+00 -2.3987900000e+00  1.2419220000e+00 -2.2276200000e-01 -2.3899410000e+00  1.4733150000e+00 -1.7170610000e+00 -2.3162940000e+00
-ENERGY -1.526594161608e+02
-FORCES  2.0032000000e-03 -7.8976000000e-03 -9.2970000000e-03 -9.3800000000e-05 -9.2700000000e-05 -4.2268000000e-03  1.0876000000e-03  6.0301000000e-03  9.4387000000e-03  3.7319000000e-03  4.1029000000e-03  2.0110000000e-04 -2.7627000000e-03 -6.1028000000e-03  1.8767000000e-03 -3.9663000000e-03  3.9601000000e-03  2.0072000000e-03
-
-JOB 518
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7122200000e-01 -7.5663000000e-01 -5.1979100000e-01  8.7028200000e-01 -2.3131800000e-01  3.2455100000e-01 -1.3951090000e+00  1.8085790000e+00 -1.8350290000e+00 -1.8901610000e+00  1.9591430000e+00 -1.0297430000e+00 -7.4438100000e-01  1.1482550000e+00 -1.5967910000e+00
-ENERGY -1.526587375096e+02
-FORCES  2.8515000000e-03 -3.5177000000e-03  1.3510000000e-03  1.4976000000e-03  6.3606000000e-03  6.3440000000e-04 -4.4908000000e-03  3.7900000000e-04 -1.6468000000e-03  4.4464000000e-03 -3.6356000000e-03  9.8343000000e-03 -2.5920000000e-04  5.0230000000e-04 -3.5667000000e-03 -4.0455000000e-03 -8.8600000000e-05 -6.6061000000e-03
-
-JOB 519
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4954900000e-01  1.0414200000e-01 -8.3862500000e-01 -4.9592600000e-01 -8.1342000000e-01 -9.2936000000e-02 -4.0949700000e-01  2.6148460000e+00  2.2782100000e-01 -1.7517100000e-01  1.7013450000e+00  6.3997000000e-02 -1.0663680000e+00  2.5731790000e+00  9.2281400000e-01
-ENERGY -1.526560347984e+02
-FORCES -4.5341000000e-03  5.8740000000e-03 -1.0110000000e-03 -4.4245000000e-03  3.2393000000e-03  6.0792000000e-03  3.7043000000e-03  3.3193000000e-03 -2.6720000000e-04 -1.1626000000e-03 -1.7950800000e-02  3.0542000000e-03  5.3653000000e-03  4.5394000000e-03 -6.2567000000e-03  1.0517000000e-03  9.7880000000e-04 -1.5986000000e-03
-
-JOB 520
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2169700000e-01 -6.4499700000e-01  6.2985800000e-01 -1.3770700000e-01 -4.9886600000e-01 -8.0523400000e-01 -6.7595400000e-01 -9.5232200000e-01 -2.4142200000e+00 -1.5910600000e+00 -1.2120120000e+00 -2.5208660000e+00 -6.3624500000e-01 -6.3100000000e-02 -2.7662730000e+00
-ENERGY -1.526605014345e+02
-FORCES -3.0289000000e-03 -8.2476000000e-03 -1.2626300000e-02 -1.6593000000e-03  5.6720000000e-04 -3.1220000000e-03  3.4846000000e-03  6.5081000000e-03  8.0967000000e-03 -3.0018000000e-03  4.6327000000e-03  4.0460000000e-03  4.6294000000e-03  1.8309000000e-03 -5.2000000000e-05 -4.2400000000e-04 -5.2914000000e-03  3.6576000000e-03
-
-JOB 521
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9676200000e-01 -4.4429500000e-01  8.2469300000e-01 -4.1443500000e-01 -6.7171500000e-01 -5.4154800000e-01 -4.5665800000e-01  2.3679020000e+00  1.5157200000e+00 -1.3807900000e-01  1.4906600000e+00  1.7282880000e+00 -1.7921300000e-01  2.5112700000e+00  6.1089800000e-01
-ENERGY -1.526536263928e+02
-FORCES -2.7687000000e-03 -2.9492000000e-03  1.8412000000e-03 -1.2967000000e-03  5.5664000000e-03 -1.8614000000e-03  2.0356000000e-03  3.1123000000e-03  2.5073000000e-03  2.0159000000e-03 -8.6055000000e-03 -9.4599000000e-03  8.1700000000e-04 -8.1100000000e-04  3.4690000000e-03 -8.0310000000e-04  3.6870000000e-03  3.5038000000e-03
-
-JOB 522
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7591400000e-01 -4.1395800000e-01  5.3666600000e-01 -3.2453100000e-01 -7.0359300000e-01 -5.6202100000e-01  2.1602310000e+00  4.0682900000e-01  1.9548350000e+00  1.9559130000e+00 -5.2753100000e-01  1.9930170000e+00  1.5522510000e+00  8.1093000000e-01  2.5739430000e+00
-ENERGY -1.526522871873e+02
-FORCES  4.8967000000e-03 -9.4560000000e-04  1.0172000000e-03 -4.0639000000e-03 -4.3516000000e-03  5.4520000000e-04  2.5556000000e-03  2.5651000000e-03  3.2066000000e-03 -3.9628000000e-03  8.0020000000e-04  3.9113000000e-03 -3.0165000000e-03  4.5030000000e-03 -6.0336000000e-03  3.5910000000e-03 -2.5711000000e-03 -2.6466000000e-03
-
-JOB 523
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6871300000e-01  3.4665400000e-01 -2.0347200000e-01  5.4722600000e-01  7.7674300000e-01  1.1595700000e-01 -2.2562310000e+00  1.9972310000e+00 -1.2872990000e+00 -2.9534750000e+00  1.3562540000e+00 -1.1486230000e+00 -2.2840580000e+00  2.5542000000e+00 -5.0932500000e-01
-ENERGY -1.526569115440e+02
-FORCES -2.4255000000e-03  7.1366000000e-03 -3.7753000000e-03  2.6000000000e-03 -4.8545000000e-03  4.5869000000e-03 -1.3491000000e-03 -3.0258000000e-03  7.7070000000e-04 -5.6919000000e-03  2.6941000000e-03  1.0833000000e-03  5.4152000000e-03  2.0916000000e-03  5.9830000000e-04  1.4513000000e-03 -4.0420000000e-03 -3.2640000000e-03
-
-JOB 524
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7212800000e-01 -4.0379000000e-02  3.9242100000e-01 -5.3321000000e-02  7.1873500000e-01 -6.2992700000e-01 -1.2583680000e+00  2.4971040000e+00  2.0718020000e+00 -1.9058470000e+00  2.1791110000e+00  2.7009940000e+00 -6.6203000000e-01  1.7587980000e+00  1.9472360000e+00
-ENERGY -1.526567405457e+02
-FORCES -4.4460000000e-03  2.1288000000e-03 -4.3203000000e-03  4.9923000000e-03  7.7430000000e-04  7.2750000000e-04  7.8690000000e-04 -3.6213000000e-03  3.1000000000e-03  1.5705000000e-03 -3.4451000000e-03  3.1992000000e-03  2.5992000000e-03  6.6470000000e-04 -3.2609000000e-03 -5.5029000000e-03  3.4986000000e-03  5.5450000000e-04
-
-JOB 525
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2618100000e-01 -7.4142700000e-01 -2.9941900000e-01 -6.0335600000e-01  7.4299500000e-01 -1.2311000000e-02 -2.6007640000e+00  3.0358410000e+00 -1.2486600000e+00 -2.5121650000e+00  2.6653360000e+00 -3.7053200000e-01 -2.9518060000e+00  3.9145340000e+00 -1.1040960000e+00
-ENERGY -1.526535186225e+02
-FORCES -4.3372000000e-03 -6.0000000000e-06 -2.6537000000e-03  2.2116000000e-03  2.9734000000e-03  1.6796000000e-03  1.5618000000e-03 -2.7486000000e-03  1.6528000000e-03 -1.8979000000e-03  3.7642000000e-03  3.9178000000e-03  1.1093000000e-03 -1.1530000000e-04 -3.9006000000e-03  1.3524000000e-03 -3.8676000000e-03 -6.9590000000e-04
-
-JOB 526
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8716900000e-01  2.0563700000e-01 -8.8965100000e-01 -2.1118100000e-01 -9.2685500000e-01  1.1213900000e-01 -1.7686100000e+00  1.0595880000e+00 -1.9684050000e+00 -1.1134580000e+00  1.6489490000e+00 -2.3421170000e+00 -1.6188320000e+00  2.2349400000e-01 -2.4097030000e+00
-ENERGY -1.526524567479e+02
-FORCES -8.9507000000e-03  1.9199000000e-03 -5.8675000000e-03  6.5226000000e-03 -4.1897000000e-03 -9.3430000000e-04  2.9440000000e-04  3.4337000000e-03 -1.5903000000e-03  7.6130000000e-04  7.5340000000e-04 -2.1560000000e-03 -1.8549000000e-03 -5.3613000000e-03  3.8807000000e-03  3.2273000000e-03  3.4440000000e-03  6.6674000000e-03
-
-JOB 527
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0531200000e-01  8.2714700000e-01  2.6034900000e-01 -9.0848000000e-01  2.2912400000e-01 -1.9595600000e-01 -2.5358350000e+00 -2.1120600000e-01 -1.7849850000e+00 -2.9465200000e+00  2.2808300000e-01 -2.5296970000e+00 -3.2348360000e+00 -7.4338400000e-01 -1.4049660000e+00
-ENERGY -1.526584537524e+02
-FORCES -4.6206000000e-03  3.2788000000e-03 -2.8754000000e-03 -1.6718000000e-03 -2.7618000000e-03 -1.2669000000e-03  6.1869000000e-03 -1.1020000000e-04  6.1382000000e-03 -4.4708000000e-03 -1.2154000000e-03 -4.0341000000e-03  1.2366000000e-03 -2.3198000000e-03  3.3459000000e-03  3.3397000000e-03  3.1284000000e-03 -1.3076000000e-03
-
-JOB 528
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5451000000e-01 -5.8298900000e-01 -8.4081000000e-02 -3.4368500000e-01  7.7465000000e-01  4.4500500000e-01 -5.1917000000e-01  1.9028990000e+00  1.9168960000e+00  1.1156600000e-01  1.7783530000e+00  2.6260450000e+00 -4.7749000000e-01  2.8387550000e+00  1.7202540000e+00
-ENERGY -1.526606741180e+02
-FORCES -4.8607000000e-03  7.9489000000e-03  8.8786000000e-03  1.9367000000e-03  2.2878000000e-03  9.4260000000e-04  1.0956000000e-03 -5.4123000000e-03 -8.4958000000e-03  5.0151000000e-03 -2.1454000000e-03  1.0584000000e-03 -3.6037000000e-03  2.5667000000e-03 -2.7209000000e-03  4.1700000000e-04 -5.2457000000e-03  3.3700000000e-04
-
-JOB 529
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2985500000e-01  6.4774000000e-02 -2.1772900000e-01 -2.3427300000e-01 -9.0305200000e-01 -2.1411600000e-01  2.5490910000e+00 -2.1383100000e-01 -6.1208900000e-01  2.4967790000e+00 -3.0704400000e-01 -1.5633020000e+00  2.9540320000e+00  6.4288100000e-01 -4.7681300000e-01
-ENERGY -1.526572252122e+02
-FORCES  2.0735600000e-02 -5.2087000000e-03 -3.5755000000e-03 -8.2847000000e-03  4.6204000000e-03 -5.0130000000e-04  7.5470000000e-04  2.3121000000e-03 -5.5960000000e-04 -6.3893000000e-03  1.8767000000e-03 -5.1490000000e-04 -1.7489000000e-03  1.0373000000e-03  6.2676000000e-03 -5.0675000000e-03 -4.6378000000e-03 -1.1163000000e-03
-
-JOB 530
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6345000000e-02  3.4761900000e-01 -8.9145900000e-01 -7.6604700000e-01 -5.7103500000e-01  5.7652000000e-02  1.9523620000e+00 -1.7363190000e+00  8.7206600000e-01  1.7195960000e+00 -8.5289000000e-01  5.8640300000e-01  1.1336520000e+00 -2.2293560000e+00  8.1857800000e-01
-ENERGY -1.526566996052e+02
-FORCES -5.9890000000e-04 -4.9084000000e-03 -1.0403000000e-03  6.8090000000e-04 -2.3490000000e-03  4.5382000000e-03  4.2011000000e-03  1.7906000000e-03 -6.3070000000e-04 -1.2324100000e-02  8.6362000000e-03 -4.8148000000e-03  6.8155000000e-03 -2.1609000000e-03  1.2208000000e-03  1.2255000000e-03 -1.0085000000e-03  7.2680000000e-04
-
-JOB 531
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8586200000e-01 -4.8782300000e-01 -2.4633600000e-01 -2.3769000000e-01 -3.4633600000e-01  8.6010900000e-01  1.3161450000e+00  2.1228940000e+00  1.8566280000e+00  1.5146890000e+00  2.0679160000e+00  9.2186100000e-01  1.6150880000e+00  1.2871790000e+00  2.2150210000e+00
-ENERGY -1.526538189577e+02
-FORCES -1.4140000000e-04 -2.8933000000e-03  4.0465000000e-03 -2.2691000000e-03  3.9100000000e-03  2.0418000000e-03  2.0576000000e-03  4.2060000000e-04 -3.8494000000e-03 -6.7660000000e-04 -5.5916000000e-03 -6.1420000000e-03  2.3645000000e-03  1.9039000000e-03  4.4009000000e-03 -1.3350000000e-03  2.2503000000e-03 -4.9780000000e-04
-
-JOB 532
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2159600000e-01  7.4148000000e-01  5.1284900000e-01 -1.4725000000e-02  3.1007700000e-01 -9.0546500000e-01 -1.3818540000e+00  1.9956770000e+00  2.0153380000e+00 -2.3064990000e+00  1.9115310000e+00  1.7825640000e+00 -1.0166600000e+00  2.5713650000e+00  1.3434380000e+00
-ENERGY -1.526562375498e+02
-FORCES -2.4842000000e-03  4.0534000000e-03  2.3795000000e-03  3.6776000000e-03 -1.3164000000e-03 -7.9228000000e-03 -5.9960000000e-04 -9.0600000000e-05  4.1064000000e-03 -5.3829000000e-03  3.9000000000e-03 -2.4290000000e-04  5.1027000000e-03  7.3390000000e-04  6.6750000000e-04 -3.1350000000e-04 -7.2803000000e-03  1.0123000000e-03
-
-JOB 533
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7094300000e-01  6.4313900000e-01 -6.0415600000e-01 -4.3366300000e-01 -8.2211700000e-01 -2.2867400000e-01 -1.6675180000e+00 -1.8905860000e+00 -1.0237240000e+00 -1.7315960000e+00 -2.3649680000e+00 -1.9481600000e-01 -1.0819730000e+00 -2.4241910000e+00 -1.5609710000e+00
-ENERGY -1.526570192284e+02
-FORCES -1.3039100000e-02 -8.4533000000e-03 -9.5919000000e-03  2.1905000000e-03 -4.1380000000e-04  1.7214000000e-03  6.4737000000e-03 -7.7180000000e-04  6.4736000000e-03  1.8847000000e-03 -5.0920000000e-04  1.0755000000e-03  4.2684000000e-03  5.5705000000e-03 -4.3067000000e-03 -1.7783000000e-03  4.5776000000e-03  4.6282000000e-03
-
-JOB 534
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3520000000e-02 -8.4402800000e-01 -4.5088300000e-01  9.2623900000e-01  2.4129400000e-01  9.4750000000e-03 -1.0854830000e+00 -1.0769930000e+00  2.2499040000e+00 -8.7597900000e-01 -8.2394300000e-01  1.3508460000e+00 -1.9937670000e+00 -1.3763570000e+00  2.2094980000e+00
-ENERGY -1.526573620178e+02
-FORCES  4.5555000000e-03 -1.2280000000e-03  4.2023000000e-03 -2.5210000000e-03  3.5731000000e-03  6.9109000000e-03 -4.4904000000e-03 -1.5764000000e-03 -1.9037000000e-03  3.6973000000e-03  7.3278000000e-03 -9.7631000000e-03 -4.7888000000e-03 -9.4096000000e-03  2.8737000000e-03  3.5474000000e-03  1.3131000000e-03 -2.3201000000e-03
-
-JOB 535
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0589900000e-01  3.7655100000e-01  8.5559700000e-01 -1.4375500000e-01  7.5748300000e-01 -5.6726200000e-01 -2.4139870000e+00 -9.1754300000e-01  8.1896000000e-01 -1.5298510000e+00 -6.9313100000e-01  5.2883300000e-01 -2.5876870000e+00 -1.7707860000e+00  4.2142300000e-01
-ENERGY -1.526605282548e+02
-FORCES -4.0894000000e-03  3.4065000000e-03  1.0527000000e-03 -3.8313000000e-03 -2.9269000000e-03 -4.9762000000e-03  9.9290000000e-04 -3.8135000000e-03  3.6948000000e-03  1.4059800000e-02  2.5077000000e-03 -6.8978000000e-03 -8.5959000000e-03 -1.8731000000e-03  6.7043000000e-03  1.4640000000e-03  2.6992000000e-03  4.2230000000e-04
-
-JOB 536
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6000400000e-01  1.7505500000e-01 -3.8207400000e-01  5.0170700000e-01 -3.9899900000e-01 -7.1086000000e-01 -1.9631510000e+00  2.6045070000e+00 -3.2265900000e-01 -1.2236580000e+00  2.9069240000e+00  2.0452800000e-01 -2.1490570000e+00  3.3327600000e+00 -9.1538000000e-01
-ENERGY -1.526585636111e+02
-FORCES -3.2612000000e-03  2.3400000000e-05 -4.8327000000e-03  5.4982000000e-03 -3.7592000000e-03  1.9310000000e-03 -1.8879000000e-03  1.6233000000e-03  2.5457000000e-03  2.8822000000e-03  5.2083000000e-03  6.3290000000e-04 -4.3142000000e-03 -1.9850000000e-04 -2.7356000000e-03  1.0830000000e-03 -2.8971000000e-03  2.4587000000e-03
-
-JOB 537
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5882000000e-02 -8.4039000000e-01  4.5481200000e-01 -7.6049900000e-01  9.3770000000e-03 -5.8119300000e-01  1.9109420000e+00 -2.3407830000e+00 -1.2491470000e+00  2.4945860000e+00 -3.0072620000e+00 -1.6116350000e+00  1.0634650000e+00 -2.7793200000e+00 -1.1736520000e+00
-ENERGY -1.526518499359e+02
-FORCES -1.1466000000e-03 -3.5932000000e-03 -9.4480000000e-04 -1.2779000000e-03  2.8628000000e-03 -2.0332000000e-03  3.0177000000e-03 -5.3070000000e-04  2.3947000000e-03 -9.1590000000e-04 -4.1379000000e-03 -1.8338000000e-03 -2.5865000000e-03  3.3962000000e-03  1.5397000000e-03  2.9093000000e-03  2.0028000000e-03  8.7750000000e-04
-
-JOB 538
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1714600000e-01  4.7809800000e-01  1.4116100000e-01  4.9982600000e-01  1.3615200000e-01  8.0490300000e-01 -6.6988000000e-02  3.3706870000e+00 -8.2148500000e-01  6.1044400000e-01  2.8840140000e+00 -3.5194600000e-01 -3.0706500000e-01  2.8024050000e+00 -1.5533670000e+00
-ENERGY -1.526566682410e+02
-FORCES -2.6587000000e-03  9.5470000000e-04  5.0962000000e-03  4.3069000000e-03 -2.2808000000e-03 -1.4216000000e-03 -1.6161000000e-03  3.9690000000e-04 -4.0579000000e-03  3.3817000000e-03 -5.5430000000e-03 -2.5091000000e-03 -2.9547000000e-03  3.2528000000e-03 -1.4420000000e-04 -4.5910000000e-04  3.2193000000e-03  3.0367000000e-03
-
-JOB 539
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1493700000e-01  5.5818400000e-01 -7.6905900000e-01  2.9146300000e-01  5.4030200000e-01  7.3440800000e-01  1.7690950000e+00 -2.2400870000e+00 -2.6301000000e-01  2.5940290000e+00 -2.0912950000e+00 -7.2515300000e-01  1.3462830000e+00 -1.3815350000e+00 -2.4425100000e-01
-ENERGY -1.526598783686e+02
-FORCES -1.5278000000e-03  4.5081000000e-03  9.4920000000e-04  1.4750000000e-03 -3.9462000000e-03  4.2786000000e-03 -3.8560000000e-04 -3.1579000000e-03 -4.7914000000e-03 -5.3383000000e-03  8.2586000000e-03  7.0700000000e-05 -3.4803000000e-03  1.1620000000e-03  1.3718000000e-03  9.2570000000e-03 -6.8245000000e-03 -1.8789000000e-03
-
-JOB 540
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1833400000e-01  1.4205000000e-01  9.2107800000e-01 -7.5957400000e-01 -5.8211800000e-01  2.0427000000e-02 -1.4319050000e+00 -2.3372480000e+00  7.6519900000e-01 -1.8468020000e+00 -2.2358530000e+00  1.6218270000e+00 -2.1536000000e+00 -2.5465930000e+00  1.7227200000e-01
-ENERGY -1.526574734504e+02
-FORCES -4.9051000000e-03 -1.0772700000e-02  6.6509000000e-03 -3.7250000000e-04  7.7850000000e-04 -2.3348000000e-03  7.0100000000e-04  7.5188000000e-03 -4.2875000000e-03 -2.2479000000e-03 -1.5324000000e-03  1.9180000000e-03  2.5031000000e-03  5.4870000000e-04 -4.6846000000e-03  4.3214000000e-03  3.4591000000e-03  2.7380000000e-03
-
-JOB 541
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1135400000e-01  1.0014200000e-01  7.2969100000e-01 -5.0704700000e-01  2.4669000000e-01 -7.7348500000e-01  5.1780800000e-01 -1.2048200000e-01  2.7184450000e+00  7.2009900000e-01  8.1256000000e-01  2.6495680000e+00  1.0673550000e+00 -4.3276500000e-01  3.4372710000e+00
-ENERGY -1.526553669955e+02
-FORCES -3.3472000000e-03 -1.5133000000e-03  4.5244000000e-03  8.9230000000e-04  3.2490000000e-03 -5.8203000000e-03  2.2348000000e-03 -9.8110000000e-04  4.0928000000e-03  4.8302000000e-03  1.3589000000e-03 -7.6580000000e-04 -3.0025000000e-03 -3.9046000000e-03  9.9270000000e-04 -1.6075000000e-03  1.7910000000e-03 -3.0238000000e-03
-
-JOB 542
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2925700000e-01 -2.2515700000e-01 -4.4926000000e-02  2.5135300000e-01 -1.9716300000e-01  9.0231900000e-01  8.3166000000e-01 -1.6568470000e+00 -2.0451930000e+00  2.9073300000e-01 -2.4233480000e+00 -1.8551780000e+00  5.2117300000e-01 -9.8701300000e-01 -1.4359700000e+00
-ENERGY -1.526587123395e+02
-FORCES  1.0866000000e-03 -3.9567000000e-03  2.0546000000e-03  6.3590000000e-03 -1.2671000000e-03 -1.3638000000e-03 -2.9664000000e-03  1.1060000000e-03 -4.1340000000e-03 -4.0552000000e-03  7.0418000000e-03  1.1666800000e-02  7.9500000000e-04  2.7734000000e-03  1.5360000000e-04 -1.2189000000e-03 -5.6974000000e-03 -8.3772000000e-03
-
-JOB 543
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2252800000e-01 -4.7137800000e-01 -1.3222200000e-01 -6.1497000000e-02  5.9060700000e-01 -7.5075500000e-01  4.3166800000e-01  1.2734960000e+00  2.2963970000e+00  3.4547200000e-01  5.2335400000e-01  1.7081050000e+00  3.2043700000e-01  9.0515100000e-01  3.1728570000e+00
-ENERGY -1.526575048302e+02
-FORCES  1.7340000000e-03  8.3508000000e-03  1.0658000000e-03 -4.0564000000e-03  3.4907000000e-03  4.0083000000e-03  9.0920000000e-04 -4.5982000000e-03  1.9175000000e-03 -4.1095000000e-03 -6.3499000000e-03 -1.1068400000e-02  5.4699000000e-03  5.9400000000e-05  8.7821000000e-03  5.2800000000e-05 -9.5290000000e-04 -4.7054000000e-03
-
-JOB 544
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5761400000e-01  4.6392500000e-01 -7.0113800000e-01  2.8357700000e-01  4.3795900000e-01  8.0250100000e-01  1.0615470000e+00 -3.2795660000e+00 -6.4857100000e-01  2.5680800000e-01 -3.7616740000e+00 -4.5831200000e-01  7.7171400000e-01 -2.5167490000e+00 -1.1489100000e+00
-ENERGY -1.526557952090e+02
-FORCES  3.5759000000e-03  4.2144000000e-03  2.6167000000e-03 -1.9584000000e-03 -3.1585000000e-03  2.3372000000e-03 -1.5879000000e-03 -1.0389000000e-03 -3.5922000000e-03 -5.7611000000e-03  3.5997000000e-03  2.1040000000e-04  3.2700000000e-03  9.6100000000e-04 -8.7230000000e-04  2.4615000000e-03 -4.5776000000e-03 -6.9980000000e-04
-
-JOB 545
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2953400000e-01 -1.5264600000e-01 -4.5255200000e-01 -1.2516100000e-01 -3.8563000000e-01  8.6709600000e-01 -1.8665430000e+00 -1.1763390000e+00 -1.6757210000e+00 -1.9897150000e+00 -8.2583600000e-01 -2.5578820000e+00 -1.4837260000e+00 -2.0428400000e+00 -1.8130520000e+00
-ENERGY -1.526603120837e+02
-FORCES -9.9802000000e-03 -5.2533000000e-03 -5.3121000000e-03  5.9055000000e-03  5.0331000000e-03  6.0491000000e-03  6.8200000000e-05  1.5710000000e-04 -3.2517000000e-03  5.9194000000e-03 -1.6694000000e-03 -1.5014000000e-03  1.1147000000e-03 -2.0149000000e-03  4.2097000000e-03 -3.0276000000e-03  3.7475000000e-03 -1.9360000000e-04
-
-JOB 546
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5672200000e-01  3.2183700000e-01 -8.8774500000e-01 -9.0012700000e-01  2.6109200000e-01  1.9451000000e-01  3.1331830000e+00 -5.5420100000e-01  1.3259420000e+00  2.4064050000e+00 -1.1770960000e+00  1.3310940000e+00  3.2192520000e+00 -2.7829100000e-01  2.2384650000e+00
-ENERGY -1.526557246330e+02
-FORCES -2.2889000000e-03  3.5047000000e-03 -3.6960000000e-03 -1.6395000000e-03 -1.5406000000e-03  3.5038000000e-03  3.8797000000e-03 -1.0666000000e-03 -5.6620000000e-04 -5.2995000000e-03 -6.8490000000e-04  2.8510000000e-03  5.3055000000e-03  8.8730000000e-04  1.1251000000e-03  4.2700000000e-05 -1.0999000000e-03 -3.2176000000e-03
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-JOB 547
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2687500000e-01  5.0049300000e-01  8.0600300000e-01  1.6400600000e-01 -8.9516500000e-01  2.9667000000e-01  5.6583800000e-01  1.1110070000e+00 -3.0227350000e+00  5.7850100000e-01  3.2359700000e-01 -2.4786230000e+00  1.4789170000e+00  1.3966960000e+00 -3.0527340000e+00
-ENERGY -1.526567381348e+02
-FORCES -1.2224000000e-03  6.3010000000e-04  6.1430000000e-03  6.9670000000e-04 -3.0125000000e-03 -2.7625000000e-03 -2.0850000000e-04  4.0196000000e-03 -2.3701000000e-03  2.5365000000e-03 -2.5181000000e-03  5.6986000000e-03  1.3680000000e-03  1.7233000000e-03 -6.5022000000e-03 -3.1703000000e-03 -8.4230000000e-04 -2.0680000000e-04
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-JOB 548
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0151600000e-01 -9.0738500000e-01  4.4403000000e-02  2.5525900000e-01  2.1227500000e-01  8.9778300000e-01 -6.4404500000e-01 -2.5767600000e+00  4.2857700000e-01 -1.4661600000e-01 -2.7989390000e+00  1.2156180000e+00 -1.5314910000e+00 -2.4081540000e+00  7.4518800000e-01
-ENERGY -1.526574412311e+02
-FORCES -2.4089000000e-03 -1.7537800000e-02  3.9341000000e-03 -1.6635000000e-03  1.0184500000e-02  2.3350000000e-04 -1.0322000000e-03 -1.7321000000e-03 -1.9230000000e-03  1.6596000000e-03  4.0752000000e-03  3.4379000000e-03 -3.3566000000e-03  2.7721000000e-03 -3.7750000000e-03  6.8015000000e-03  2.2381000000e-03 -1.9075000000e-03
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-JOB 549
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3184000000e-02  8.0509100000e-01 -5.1254700000e-01  7.3585600000e-01 -5.3807400000e-01 -2.9193200000e-01  1.4580010000e+00 -2.6578610000e+00  2.6456800000e-01  6.4780300000e-01 -2.9538060000e+00  6.7957100000e-01  1.8016900000e+00 -3.4365690000e+00 -1.7329400000e-01
-ENERGY -1.526602736494e+02
-FORCES  4.8826000000e-03 -1.6818000000e-03 -2.3270000000e-03  3.5930000000e-04 -3.3099000000e-03  1.4426000000e-03 -5.4472000000e-03  7.1107000000e-03 -4.1800000000e-05 -2.5549000000e-03 -5.5293000000e-03  1.2979000000e-03  4.5375000000e-03  3.0910000000e-04 -2.4479000000e-03 -1.7774000000e-03  3.1013000000e-03  2.0762000000e-03
-
-JOB 550
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7908400000e-01 -1.3636700000e-01  3.5333800000e-01 -5.4453700000e-01 -6.4072400000e-01  4.5736600000e-01 -9.3058200000e-01  1.1684460000e+00 -2.2829990000e+00 -4.8268400000e-01  8.0139600000e-01 -1.5208360000e+00 -2.8795400000e-01  1.7574500000e+00 -2.6783910000e+00
-ENERGY -1.526604949271e+02
-FORCES -2.1443000000e-03 -4.7370000000e-04 -2.7417000000e-03 -4.5597000000e-03  8.1400000000e-05 -1.0369000000e-03  4.2761000000e-03  2.6465000000e-03 -9.7590000000e-04  5.9705000000e-03 -4.3881000000e-03  1.0555800000e-02 -2.7435000000e-03  4.3337000000e-03 -8.0044000000e-03 -7.9910000000e-04 -2.1998000000e-03  2.2032000000e-03
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-JOB 551
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5867800000e-01 -6.3513800000e-01 -6.6777000000e-01 -5.4075300000e-01 -2.1663800000e-01  7.5953000000e-01  8.2491500000e-01  1.8139140000e+00 -1.9416870000e+00  3.5511000000e-01  1.4194540000e+00 -1.2068970000e+00  1.3571300000e-01  2.1518340000e+00 -2.5135640000e+00
-ENERGY -1.526600888405e+02
-FORCES -8.3000000000e-04 -2.4550000000e-03 -3.9420000000e-04 -7.9800000000e-05  4.7701000000e-03  3.5882000000e-03  2.3277000000e-03 -1.0790000000e-04 -4.3356000000e-03 -4.5561000000e-03 -3.7113000000e-03  7.8422000000e-03  1.6643000000e-03  3.8703000000e-03 -9.2149000000e-03  1.4740000000e-03 -2.3662000000e-03  2.5143000000e-03
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-JOB 552
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3263300000e-01 -7.4701900000e-01 -2.7294000000e-01  1.8054100000e-01  4.7513500000e-01 -8.1110000000e-01  2.6272010000e+00 -7.8526000000e-01  8.5064900000e-01  3.1854590000e+00 -1.3015770000e+00  2.6927500000e-01  1.9199400000e+00 -4.7089900000e-01  2.8745200000e-01
-ENERGY -1.526580669803e+02
-FORCES -4.5455000000e-03 -1.8913000000e-03 -1.7488000000e-03  3.0771000000e-03  4.1525000000e-03  5.1050000000e-04  2.4892000000e-03 -4.4185000000e-03  4.8748000000e-03 -8.0962000000e-03  1.5779000000e-03 -3.7364000000e-03 -3.4196000000e-03  1.9756000000e-03  1.0805000000e-03  1.0495000000e-02 -1.3961000000e-03 -9.8050000000e-04
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-JOB 553
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1924900000e-01  2.4684100000e-01  4.2910600000e-01 -2.9495100000e-01 -7.7705700000e-01  4.7478200000e-01 -2.6350260000e+00  1.3365890000e+00  1.4543900000e-01 -1.7428910000e+00  9.9796100000e-01  2.2065500000e-01 -2.5732890000e+00  2.2439320000e+00  4.4401600000e-01
-ENERGY -1.526607148827e+02
-FORCES  4.0937000000e-03 -3.4117000000e-03  2.2526000000e-03 -4.2282000000e-03 -1.4596000000e-03 -1.7635000000e-03  7.2970000000e-04  5.7740000000e-03 -1.8755000000e-03  9.1562000000e-03 -2.6590000000e-04 -5.2710000000e-04 -1.0121000000e-02  2.3056000000e-03  2.6746000000e-03  3.6960000000e-04 -2.9424000000e-03 -7.6120000000e-04
-
-JOB 554
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0494600000e-01 -8.0419200000e-01  4.2013800000e-01  3.5256900000e-01  5.2669700000e-01  7.1729800000e-01 -3.1741100000e+00 -1.3995350000e+00  2.4609800000e-01 -3.5443550000e+00 -5.4824300000e-01  4.7944700000e-01 -3.8482630000e+00 -2.0312270000e+00  4.9652700000e-01
-ENERGY -1.526562953026e+02
-FORCES -1.0205000000e-03 -2.8110000000e-03  4.0982000000e-03  4.1884000000e-03  4.2586000000e-03 -1.0318000000e-03 -1.7690000000e-03 -1.8104000000e-03 -2.7309000000e-03 -5.4152000000e-03  1.8029000000e-03  8.2090000000e-04  9.9660000000e-04 -4.2207000000e-03 -2.0210000000e-04  3.0196000000e-03  2.7807000000e-03 -9.5420000000e-04
-
-JOB 555
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1844400000e-01  5.2844100000e-01  3.4759200000e-01  1.5507300000e-01 -8.7672600000e-01  3.5147700000e-01 -2.1555030000e+00 -2.7898470000e+00 -6.1557800000e-01 -2.7019050000e+00 -2.8554690000e+00  1.6760200000e-01 -1.2942170000e+00 -3.0981240000e+00 -3.3382600000e-01
-ENERGY -1.526521285908e+02
-FORCES  3.1475000000e-03 -1.5362000000e-03  2.4427000000e-03 -3.3566000000e-03 -2.2832000000e-03 -1.5669000000e-03  3.1200000000e-05  2.7135000000e-03 -9.5260000000e-04  2.8310000000e-04 -1.1881000000e-03  3.7329000000e-03  2.6064000000e-03  2.6000000000e-06 -3.2679000000e-03 -2.7115000000e-03  2.2914000000e-03 -3.8820000000e-04
-
-JOB 556
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4261000000e-01  3.2345100000e-01  7.8467000000e-01 -8.5350000000e-03 -9.5243200000e-01  9.5035000000e-02 -2.4498230000e+00 -3.2086000000e-02 -1.5822360000e+00 -2.7926660000e+00 -6.7097700000e-01 -9.5732800000e-01 -1.5604200000e+00  1.4806200000e-01 -1.2777030000e+00
-ENERGY -1.526589594947e+02
-FORCES -5.7910000000e-04 -2.7711000000e-03  4.8658000000e-03  9.7740000000e-04 -2.5056000000e-03 -5.1196000000e-03 -2.0249000000e-03  5.2824000000e-03 -9.6840000000e-04  9.0613000000e-03 -9.0130000000e-04  6.6023000000e-03  1.2660000000e-03  1.6709000000e-03 -1.3377000000e-03 -8.7007000000e-03 -7.7540000000e-04 -4.0423000000e-03
-
-JOB 557
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0910000000e-01  1.5061600000e-01 -2.5900400000e-01 -5.6934000000e-02 -3.2152100000e-01  8.9978600000e-01  1.3759360000e+00  2.0726550000e+00  9.1275900000e-01  8.8502800000e-01  2.6803970000e+00  1.4658330000e+00  7.2558500000e-01  1.4327140000e+00  6.2336000000e-01
-ENERGY -1.526567848862e+02
-FORCES  8.3260000000e-04  1.9686000000e-03  2.5186000000e-03  5.4788000000e-03  6.3620000000e-04  3.0340000000e-03  6.5360000000e-04  6.8989000000e-03 -4.9132000000e-03 -9.3002000000e-03 -1.1504200000e-02 -7.7245000000e-03 -5.4910000000e-04 -4.0918000000e-03 -2.2731000000e-03  2.8843000000e-03  6.0925000000e-03  9.3582000000e-03
-
-JOB 558
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9727200000e-01 -4.5961000000e-01 -2.6333900000e-01 -1.1812000000e-02 -2.7868000000e-02  9.5672100000e-01 -4.5468400000e-01  1.8440000000e-02  2.7183680000e+00 -9.9746100000e-01 -6.6725000000e-02  3.5021870000e+00  1.8405200000e-01  6.9564000000e-01  2.9411860000e+00
-ENERGY -1.526583348920e+02
-FORCES -6.6700000000e-03 -2.8782000000e-03  1.1676500000e-02  2.0984000000e-03  1.0990000000e-03 -3.6330000000e-04  5.9825000000e-03  3.7028000000e-03 -3.9206000000e-03 -1.3339000000e-03  8.5510000000e-04 -1.7766000000e-03  3.3234000000e-03  1.6274000000e-03 -2.6000000000e-03 -3.4005000000e-03 -4.4061000000e-03 -3.0161000000e-03
-
-JOB 559
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7984900000e-01 -2.1872900000e-01 -8.8886100000e-01  7.7528600000e-01  3.8613300000e-01  4.0751000000e-01  1.9425890000e+00  1.4808100000e+00  1.0384170000e+00  2.3572780000e+00  1.6971390000e+00  2.0327200000e-01  1.8022310000e+00  2.3271280000e+00  1.4630070000e+00
-ENERGY -1.526571033301e+02
-FORCES  1.2247200000e-02  8.7496000000e-03  7.1472000000e-03  1.2454000000e-03  2.4600000000e-03  3.0776000000e-03 -3.3873000000e-03 -5.5828000000e-03 -7.5379000000e-03 -8.3855000000e-03  7.4530000000e-04 -3.2693000000e-03 -4.2837000000e-03 -2.9387000000e-03  3.5503000000e-03  2.5639000000e-03 -3.4335000000e-03 -2.9678000000e-03
-
-JOB 560
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4750500000e-01 -3.3794700000e-01 -6.1867700000e-01  7.0527300000e-01  3.3836400000e-01 -5.5166300000e-01  2.2576740000e+00  1.3811950000e+00 -7.1195700000e-01  1.7265090000e+00  2.0618530000e+00 -1.1252370000e+00  2.9029670000e+00  1.1430850000e+00 -1.3776390000e+00
-ENERGY -1.526578210613e+02
-FORCES  9.8467000000e-03  3.3921000000e-03 -3.4556000000e-03  3.9181000000e-03  2.3897000000e-03  7.2510000000e-04 -1.0838000000e-02 -1.7874000000e-03 -9.1490000000e-04  7.8230000000e-04  2.3214000000e-03 -8.2070000000e-04  9.0390000000e-04 -7.2956000000e-03  1.4126000000e-03 -4.6128000000e-03  9.7980000000e-04  3.0535000000e-03
-
-JOB 561
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7603800000e-01  6.2243900000e-01  6.7275900000e-01 -3.1659200000e-01  5.4773700000e-01 -7.1832100000e-01  1.2264360000e+00  1.6870090000e+00  1.6351200000e+00  1.2576820000e+00  2.4479520000e+00  1.0552740000e+00  2.1029780000e+00  1.3065120000e+00  1.5791870000e+00
-ENERGY -1.526577684290e+02
-FORCES  6.6640000000e-03  1.3027500000e-02  1.1898800000e-02 -3.5477000000e-03 -5.2753000000e-03 -8.4081000000e-03  2.1697000000e-03  1.8160000000e-04  2.9854000000e-03  1.5594000000e-03 -4.6717000000e-03 -7.6125000000e-03 -1.5718000000e-03 -5.8916000000e-03  1.3794000000e-03 -5.2736000000e-03  2.6294000000e-03 -2.4310000000e-04
-
-JOB 562
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9423000000e-02  1.9386500000e-01  9.3605900000e-01  9.0099100000e-01  2.1402300000e-01 -2.4216200000e-01 -2.9853700000e+00 -1.3524600000e-01  1.4811570000e+00 -3.6571970000e+00 -8.1700800000e-01  1.4721600000e+00 -2.8674820000e+00  9.7680000000e-02  5.6024500000e-01
-ENERGY -1.526579749411e+02
-FORCES  3.6610000000e-03  1.1298000000e-03  3.8360000000e-03  1.8674000000e-03  3.9100000000e-05 -5.3082000000e-03 -3.5638000000e-03 -9.7090000000e-04  1.3400000000e-03 -2.0747000000e-03 -2.4297000000e-03 -4.9751000000e-03  2.3173000000e-03  2.7935000000e-03 -4.5000000000e-05 -2.2073000000e-03 -5.6170000000e-04  5.1525000000e-03
-
-JOB 563
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1978900000e-01  4.7377200000e-01 -8.0216200000e-01 -6.4862200000e-01 -7.0220000000e-01  4.9357000000e-02 -2.5383820000e+00  1.9256390000e+00  4.3907800000e-01 -3.3095090000e+00  2.3412900000e+00  8.2486100000e-01 -1.9651610000e+00  2.6551140000e+00  2.0345900000e-01
-ENERGY -1.526544429411e+02
-FORCES -7.4230000000e-03  9.1800000000e-05 -1.7979000000e-03  2.4937000000e-03 -1.0806000000e-03  2.3898000000e-03  3.9333000000e-03  1.0146000000e-03 -6.2830000000e-04  5.2640000000e-04  5.0234000000e-03  1.8347000000e-03  3.4580000000e-03 -2.1170000000e-03 -1.4222000000e-03 -2.9884000000e-03 -2.9322000000e-03 -3.7610000000e-04
-
-JOB 564
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4438100000e-01  3.6094000000e-02 -9.4556000000e-01  4.0135000000e-02  9.1323800000e-01  2.8393100000e-01 -2.6071780000e+00 -1.3237310000e+00  6.1831000000e-01 -2.6303340000e+00 -2.1874080000e+00  2.0629300000e-01 -1.7077840000e+00 -1.0215320000e+00  4.9182800000e-01
-ENERGY -1.526615658721e+02
-FORCES  8.3330000000e-04  5.2798000000e-03 -2.8059000000e-03 -6.7790000000e-04 -1.6060000000e-04  4.6083000000e-03  2.7530000000e-04 -4.2770000000e-03 -2.1039000000e-03  8.3887000000e-03  1.0807000000e-03 -2.2042000000e-03  5.4810000000e-04  3.0128000000e-03  6.8900000000e-04 -9.3675000000e-03 -4.9358000000e-03  1.8166000000e-03
-
-JOB 565
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9455800000e-01  5.9524700000e-01  2.8196200000e-01 -4.5838700000e-01 -8.0205300000e-01 -2.5064800000e-01  7.6481500000e-01 -1.3994980000e+00  2.2823870000e+00  1.0593850000e+00 -9.6520500000e-01  1.4818560000e+00  4.6141800000e-01 -2.2593800000e+00  1.9912090000e+00
-ENERGY -1.526561434852e+02
-FORCES -5.9732000000e-03 -1.9146000000e-03  6.8389000000e-03  2.4822000000e-03 -2.5824000000e-03 -2.7942000000e-03  3.5118000000e-03  2.2667000000e-03  1.9263000000e-03 -2.1213000000e-03  4.7102000000e-03 -1.1028400000e-02  2.2085000000e-03 -5.8076000000e-03  5.1575000000e-03 -1.0800000000e-04  3.3277000000e-03 -1.0010000000e-04
-
-JOB 566
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1505400000e-01  9.2042200000e-01  1.5102300000e-01 -6.0374200000e-01 -2.2468100000e-01  7.0798700000e-01 -6.1042500000e-01  3.0240040000e+00  1.7810900000e-01 -1.3608960000e+00  3.4308650000e+00 -2.5488900000e-01 -8.8037900000e-01  2.9341040000e+00  1.0920430000e+00
-ENERGY -1.526574657737e+02
-FORCES -2.6017000000e-03  7.3795000000e-03  1.6451000000e-03  1.6145000000e-03 -7.7681000000e-03  2.3988000000e-03  1.9250000000e-03  9.4410000000e-04 -1.9795000000e-03 -6.0131000000e-03  2.2694000000e-03 -6.2710000000e-04  3.0996000000e-03 -9.1270000000e-04  3.0329000000e-03  1.9757000000e-03 -1.9122000000e-03 -4.4702000000e-03
-
-JOB 567
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6955700000e-01 -3.1928100000e-01  8.6117900000e-01  3.4702400000e-01  8.7635000000e-01  1.6678200000e-01 -2.0799480000e+00  1.6470310000e+00 -1.1655650000e+00 -1.5164570000e+00  1.0798110000e+00 -6.3928400000e-01 -2.9082450000e+00  1.1713480000e+00 -1.2278790000e+00
-ENERGY -1.526589615237e+02
-FORCES  4.0943000000e-03  8.9540000000e-04  3.8316000000e-03 -2.2060000000e-04  2.6037000000e-03 -5.2453000000e-03 -6.1744000000e-03 -4.5353000000e-03 -1.7290000000e-03  4.2833000000e-03 -9.4901000000e-03  2.6117000000e-03 -4.7339000000e-03  9.3237000000e-03 -2.8910000000e-04  2.7513000000e-03  1.2027000000e-03  8.2010000000e-04
-
-JOB 568
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9885000000e-02  1.3253600000e-01 -9.4777100000e-01  2.4212200000e-01 -9.1967100000e-01  1.0868900000e-01  1.6337200000e-01  2.3077600000e-01 -2.9173350000e+00  9.4225900000e-01 -3.2204900000e-01 -2.9801930000e+00 -5.7033900000e-01 -3.7679500000e-01 -3.0109150000e+00
-ENERGY -1.526588206031e+02
-FORCES  1.5137000000e-03  6.9400000000e-05 -9.9384000000e-03 -1.7365000000e-03 -4.4754000000e-03  9.6883000000e-03 -7.1240000000e-04  2.8869000000e-03 -1.7303000000e-03  1.2058000000e-03 -3.9026000000e-03 -4.2339000000e-03 -5.0733000000e-03  2.2934000000e-03  2.3513000000e-03  4.8028000000e-03  3.1283000000e-03  3.8631000000e-03
-
-JOB 569
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6665100000e-01 -1.5945200000e-01 -3.7379600000e-01  4.2488000000e-02  8.9742400000e-01  3.3023700000e-01  5.9950000000e-02 -2.0950630000e+00  1.6095710000e+00 -3.3701000000e-02 -1.4950750000e+00  8.6965500000e-01  2.8413500000e-01 -2.9355470000e+00  1.2101210000e+00
-ENERGY -1.526573943586e+02
-FORCES  2.4402000000e-03 -2.1199000000e-03  8.8967000000e-03 -5.3435000000e-03 -1.8511000000e-03  3.4102000000e-03  1.0696000000e-03 -3.6142000000e-03 -3.4346000000e-03 -2.8212000000e-03  1.2252000000e-02 -9.0248000000e-03  4.5770000000e-03 -9.4452000000e-03  1.3537000000e-03  7.7800000000e-05  4.7784000000e-03 -1.2012000000e-03
-
-JOB 570
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2227200000e-01 -7.5099000000e-01  2.8191800000e-01  1.9501000000e-02  5.9948000000e-01  7.4597200000e-01  2.1629620000e+00  7.4377800000e-01 -1.2549730000e+00  2.6663660000e+00  4.0682000000e-02 -1.6654260000e+00  1.5662750000e+00  2.9402800000e-01 -6.5670800000e-01
-ENERGY -1.526498494718e+02
-FORCES  5.9919000000e-03  4.0320000000e-03 -1.0093000000e-03  4.3708000000e-03  9.1215000000e-03 -7.2012000000e-03  1.8394000000e-03 -3.7960000000e-03 -5.3227000000e-03 -1.6541700000e-02 -4.6564000000e-03  6.1729000000e-03 -4.0872000000e-03  5.2590000000e-04  3.2882000000e-03  8.4268000000e-03 -5.2271000000e-03  4.0722000000e-03
-
-JOB 571
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4053000000e-02  9.0473600000e-01 -3.0591200000e-01 -7.1359600000e-01 -4.5547100000e-01 -4.4672000000e-01 -1.9785030000e+00 -9.6457100000e-01 -1.6534470000e+00 -1.7943050000e+00 -1.8558760000e+00 -1.9498890000e+00 -2.8068990000e+00 -1.0357750000e+00 -1.1791870000e+00
-ENERGY -1.526604451828e+02
-FORCES -1.0915500000e-02 -2.3367000000e-03 -1.1124300000e-02  2.0520000000e-04 -2.0354000000e-03  1.3952000000e-03  5.9565000000e-03  1.1021000000e-03  7.8118000000e-03  2.4960000000e-04 -1.8730000000e-03  7.2710000000e-04 -1.2002000000e-03  4.8753000000e-03  2.8832000000e-03  5.7044000000e-03  2.6770000000e-04 -1.6931000000e-03
-
-JOB 572
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9236500000e-01  4.6529900000e-01 -2.6811600000e-01 -6.2455200000e-01  1.6251300000e-01 -7.0693400000e-01  2.2187980000e+00 -3.0871570000e+00 -5.8681900000e-01  2.3206690000e+00 -2.7732460000e+00 -1.4853250000e+00  1.3027340000e+00 -2.9099840000e+00 -3.7311800000e-01
-ENERGY -1.526559043775e+02
-FORCES  7.6480000000e-04  4.5391000000e-03 -3.0089000000e-03 -3.8300000000e-03 -2.1091000000e-03  5.8540000000e-04  2.9813000000e-03 -1.3978000000e-03  2.7742000000e-03 -4.4741000000e-03  2.6776000000e-03 -1.8915000000e-03 -1.3800000000e-05 -1.0416000000e-03  3.2596000000e-03  4.5718000000e-03 -2.6681000000e-03 -1.7188000000e-03
-
-JOB 573
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0462600000e-01 -4.4997000000e-01 -7.8801100000e-01 -9.3398900000e-01 -2.0416600000e-01  4.7040000000e-02 -8.9763800000e-01  2.2767340000e+00  1.9088570000e+00 -1.4147000000e-02  2.1908580000e+00  1.5506660000e+00 -9.2243000000e-01  3.1598330000e+00  2.2773040000e+00
-ENERGY -1.526579833190e+02
-FORCES -4.3391000000e-03 -2.8836000000e-03 -2.4281000000e-03 -1.4722000000e-03  1.9383000000e-03  3.1886000000e-03  4.6782000000e-03 -7.3110000000e-04 -1.6673000000e-03  4.7329000000e-03  1.5359000000e-03 -1.1729000000e-03 -4.0392000000e-03  3.5859000000e-03  3.8414000000e-03  4.3930000000e-04 -3.4453000000e-03 -1.7617000000e-03
-
-JOB 574
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7368500000e-01 -2.8077900000e-01  2.7215800000e-01  7.1301000000e-02  1.2240800000e-01 -9.4665900000e-01  2.1467100000e+00 -7.2542700000e-01  1.4170290000e+00  2.7602800000e+00 -1.3779350000e+00  1.0793950000e+00  1.6806820000e+00 -1.1760190000e+00  2.1213130000e+00
-ENERGY -1.526598503523e+02
-FORCES  1.3234600000e-02 -2.8697000000e-03  6.5310000000e-03 -8.9898000000e-03  1.0315000000e-03 -6.5921000000e-03  2.1881000000e-03 -1.3212000000e-03  3.2562000000e-03 -5.3649000000e-03 -1.9529000000e-03  5.7730000000e-04 -4.4051000000e-03  3.3561000000e-03  7.7010000000e-04  3.3371000000e-03  1.7561000000e-03 -4.5426000000e-03
-
-JOB 575
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7093000000e-01  1.7744800000e-01 -8.1422900000e-01  7.5744700000e-01 -5.1964600000e-01 -2.6921100000e-01 -2.0485470000e+00 -9.8113300000e-01  1.9942880000e+00 -2.7907940000e+00 -7.9260600000e-01  1.4200400000e+00 -1.2906270000e+00 -6.2290100000e-01  1.5322720000e+00
-ENERGY -1.526605462156e+02
-FORCES  1.9148000000e-03 -1.7686000000e-03 -5.0979000000e-03  1.9549000000e-03 -1.2237000000e-03  3.9737000000e-03 -3.7212000000e-03  2.7901000000e-03  5.2600000000e-04  4.4797000000e-03  3.8982000000e-03 -7.3358000000e-03  1.9525000000e-03 -6.4220000000e-04  1.5214000000e-03 -6.5806000000e-03 -3.0538000000e-03  6.4127000000e-03
-
-JOB 576
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8817200000e-01 -9.0448700000e-01  1.2284900000e-01  4.6793800000e-01 -8.5210000000e-03 -8.3498100000e-01  1.9718490000e+00 -4.1219800000e-01  2.0401060000e+00  1.7907900000e+00 -5.5903700000e-01  1.1117270000e+00  1.1263500000e+00 -1.6248700000e-01  2.4129430000e+00
-ENERGY -1.526555651617e+02
-FORCES -2.5070000000e-04 -2.0794000000e-03 -2.0825000000e-03  3.9313000000e-03  4.7598000000e-03  9.9640000000e-04 -4.6820000000e-04 -1.1442000000e-03  5.8813000000e-03 -1.0624600000e-02  5.0151000000e-03 -7.6116000000e-03  4.5516000000e-03 -4.1869000000e-03  8.0180000000e-04  2.8607000000e-03 -2.3644000000e-03  2.0146000000e-03
-
-JOB 577
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0276300000e-01 -3.2414000000e-01 -8.4823300000e-01  8.9049800000e-01 -3.4103800000e-01  8.3291000000e-02 -1.3455600000e-01 -2.3583850000e+00  1.1903260000e+00 -1.2091600000e-01 -1.4500510000e+00  8.8870400000e-01  7.8685200000e-01 -2.6163410000e+00  1.2167610000e+00
-ENERGY -1.526521180738e+02
-FORCES  7.3090000000e-04 -9.3953000000e-03 -2.2058000000e-03  2.0116000000e-03  1.0823000000e-03  5.9546000000e-03 -8.8077000000e-03 -5.4682000000e-03  5.2847000000e-03 -2.8110000000e-04  1.7072100000e-02 -5.9834000000e-03  8.8301000000e-03 -7.4839000000e-03 -8.1930000000e-04 -2.4838000000e-03  4.1931000000e-03 -2.2308000000e-03
-
-JOB 578
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3896400000e-01 -4.5646600000e-01  6.3323000000e-02  2.1340000000e-01  2.3625600000e-01  9.0270400000e-01  1.3256740000e+00 -1.5617200000e-01  2.3698080000e+00  2.0118920000e+00 -3.2267000000e-01  1.7235760000e+00  8.3622400000e-01 -9.7741000000e-01  2.4171310000e+00
-ENERGY -1.526577211742e+02
-FORCES  2.8558000000e-03  1.8554000000e-03  1.2677300000e-02  3.8734000000e-03  6.2100000000e-04  1.9244000000e-03 -2.8671000000e-03 -4.1257000000e-03 -8.4093000000e-03  1.4122000000e-03 -6.5173000000e-03 -7.6303000000e-03 -4.7825000000e-03  2.1876000000e-03  3.3130000000e-03 -4.9170000000e-04  5.9791000000e-03 -1.8752000000e-03
-
-JOB 579
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7291300000e-01  8.2165800000e-01  4.5957700000e-01  4.0544000000e-02 -6.6987200000e-01  6.8253900000e-01 -9.4226500000e-01 -1.0351420000e+00 -2.1589690000e+00 -4.3904400000e-01 -7.1626300000e-01 -1.4097580000e+00 -1.8565370000e+00 -9.0851100000e-01 -1.9053880000e+00
-ENERGY -1.526562349363e+02
-FORCES -4.3589000000e-03 -2.8316000000e-03 -1.1377400000e-02 -1.2964000000e-03 -5.4465000000e-03  2.5610000000e-04 -7.2560000000e-04  4.1786000000e-03 -4.1335000000e-03  4.9234000000e-03  1.0951400000e-02  1.7021300000e-02 -2.8900000000e-04 -6.1269000000e-03 -1.2409000000e-03  1.7465000000e-03 -7.2500000000e-04 -5.2550000000e-04
-
-JOB 580
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6582500000e-01  2.1888800000e-01 -8.0704800000e-01  7.1095000000e-02 -9.5217200000e-01  6.7423000000e-02  8.6351900000e-01  5.4673800000e-01 -2.4920840000e+00  6.3495800000e-01 -1.9769300000e-01 -3.0486940000e+00  1.2346520000e+00  1.1916180000e+00 -3.0942660000e+00
-ENERGY -1.526588646713e+02
-FORCES  5.5892000000e-03  2.2819000000e-03 -1.2279900000e-02 -2.6372000000e-03 -4.1026000000e-03  6.8370000000e-03 -2.2750000000e-04  2.6398000000e-03 -1.9446000000e-03 -2.3737000000e-03 -2.1880000000e-04  3.5527000000e-03  2.0175000000e-03  3.7136000000e-03  2.7349000000e-03 -2.3682000000e-03 -4.3139000000e-03  1.0999000000e-03
-
-JOB 581
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6586200000e-01 -2.5583000000e-01  5.1404100000e-01 -1.2468900000e-01  9.3409700000e-01 -1.6776900000e-01 -4.1235600000e-01  2.6600980000e+00  9.5773500000e-01 -1.3937600000e-01  3.3741560000e+00  3.8168400000e-01 -1.3316350000e+00  2.8449670000e+00  1.1500410000e+00
-ENERGY -1.526569264143e+02
-FORCES -3.9395000000e-03  1.0727900000e-02  6.5477000000e-03  1.6680000000e-03 -4.3140000000e-04 -1.8473000000e-03  1.1847000000e-03 -5.6244000000e-03 -5.8681000000e-03 -1.8883000000e-03  2.7204000000e-03  1.0216000000e-03 -1.6402000000e-03 -5.4518000000e-03  1.6797000000e-03  4.6153000000e-03 -1.9408000000e-03 -1.5336000000e-03
-
-JOB 582
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1238400000e-01 -6.8772400000e-01  6.5622900000e-01 -7.7546000000e-01  5.5279900000e-01  9.6473000000e-02 -1.3349900000e+00 -3.0025330000e+00  2.4408500000e-01 -2.0552350000e+00 -2.3877540000e+00  3.8381800000e-01 -1.1051100000e+00 -2.8970430000e+00 -6.7909300000e-01
-ENERGY -1.526569052594e+02
-FORCES -2.4006000000e-03 -1.8381000000e-03  4.3145000000e-03  2.1000000000e-05  5.8325000000e-03 -2.9964000000e-03  2.3811000000e-03 -3.1452000000e-03 -7.0150000000e-04 -2.4663000000e-03  2.0222000000e-03 -5.9075000000e-03  3.9941000000e-03 -1.4149000000e-03  7.4510000000e-04 -1.5294000000e-03 -1.4565000000e-03  4.5458000000e-03
-
-JOB 583
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8599200000e-01 -9.1346500000e-01  4.7830000000e-03  1.6920900000e-01  2.0331800000e-01  9.1992500000e-01  2.4831370000e+00  1.7579400000e-01 -1.0685790000e+00  2.5106710000e+00 -4.4924300000e-01 -1.7930120000e+00  1.6042060000e+00  7.9599000000e-02 -7.0189100000e-01
-ENERGY -1.526596280247e+02
-FORCES  3.3888000000e-03 -1.7639000000e-03  1.7704000000e-03  2.9829000000e-03  4.8925000000e-03 -3.7710000000e-04  1.8150000000e-04 -1.9879000000e-03 -5.9905000000e-03 -1.6053100000e-02 -1.5773000000e-03  3.7643000000e-03 -1.3611000000e-03  1.0125000000e-03  2.6205000000e-03  1.0861000000e-02 -5.7600000000e-04 -1.7876000000e-03
-
-JOB 584
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0541100000e-01  5.1843600000e-01 -6.2611200000e-01  8.9448800000e-01  1.7948000000e-02 -3.4029600000e-01  2.5672970000e+00 -1.7004700000e-01 -9.9852200000e-01  2.7619200000e+00 -1.0188170000e+00 -1.3959410000e+00  3.3985520000e+00  1.1273800000e-01 -6.1736600000e-01
-ENERGY -1.526616401307e+02
-FORCES  1.1276100000e-02  1.1504000000e-03 -5.7603000000e-03  2.1319000000e-03 -1.5825000000e-03  1.2789000000e-03 -9.6278000000e-03  1.4270000000e-04  2.7339000000e-03 -7.1220000000e-04 -1.8759000000e-03  2.4010000000e-03  1.7550000000e-04  4.6488000000e-03  2.0946000000e-03 -3.2436000000e-03 -2.4835000000e-03 -2.7480000000e-03
-
-JOB 585
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2823500000e-01  8.5668600000e-01 -3.6087300000e-01  8.1501500000e-01 -5.0065000000e-01 -3.6492000000e-02  2.6846140000e+00 -1.2195500000e+00 -6.4496600000e-01  2.1774410000e+00 -1.9306790000e+00 -1.0365050000e+00  2.6781930000e+00 -1.4085730000e+00  2.9336300000e-01
-ENERGY -1.526575601210e+02
-FORCES  9.7018000000e-03  1.3528000000e-03 -4.4413000000e-03 -2.0055000000e-03 -2.3284000000e-03  1.6076000000e-03 -6.2397000000e-03 -2.1187000000e-03  4.5840000000e-03  1.6426000000e-03 -5.5884000000e-03  3.3100000000e-04  1.0095000000e-03  5.4970000000e-03  3.5467000000e-03 -4.1088000000e-03  3.1856000000e-03 -5.6280000000e-03
-
-JOB 586
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9212900000e-01  9.1988900000e-01  1.8199800000e-01 -9.6999000000e-02 -8.2280000000e-02 -9.4871100000e-01  3.1724220000e+00  1.5681010000e+00  5.1136900000e-01  2.4884130000e+00  2.1585890000e+00  1.9563700000e-01  3.4650700000e+00  1.9584230000e+00  1.3349210000e+00
-ENERGY -1.526519765522e+02
-FORCES -2.4130000000e-04  2.6270000000e-03 -2.9613000000e-03  1.1947000000e-03 -2.9602000000e-03 -8.9070000000e-04  2.1360000000e-04  6.6830000000e-04  4.0024000000e-03 -2.1496000000e-03  2.8768000000e-03  2.2811000000e-03  2.3228000000e-03 -1.6364000000e-03  1.0385000000e-03 -1.3402000000e-03 -1.5754000000e-03 -3.4700000000e-03
-
-JOB 587
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2964100000e-01 -8.3514900000e-01  1.8484100000e-01 -4.6441700000e-01  3.4522100000e-01 -7.6247700000e-01 -1.4691650000e+00  8.3793900000e-01 -2.4643210000e+00 -1.3666950000e+00  1.6978770000e+00 -2.8720450000e+00 -1.0409500000e+00  2.3271800000e-01 -3.0697730000e+00
-ENERGY -1.526614265092e+02
-FORCES -7.0941000000e-03  1.2163000000e-03 -6.0876000000e-03  1.6511000000e-03  2.2921000000e-03 -1.1183000000e-03  6.4708000000e-03 -4.1929000000e-03  7.1821000000e-03  9.6820000000e-04  2.3078000000e-03 -5.5118000000e-03 -2.8790000000e-04 -4.6636000000e-03  1.3044000000e-03 -1.7081000000e-03  3.0404000000e-03  4.2312000000e-03
-
-JOB 588
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8874400000e-01 -4.2463200000e-01  5.1142000000e-01  1.9848000000e-02 -4.8489800000e-01 -8.2505300000e-01 -1.8623610000e+00  2.6537210000e+00  7.0513300000e-01 -1.3983800000e+00  1.8948590000e+00  1.0588010000e+00 -1.3612980000e+00  3.4077020000e+00  1.0160680000e+00
-ENERGY -1.526553583458e+02
-FORCES -2.5428000000e-03 -4.2960000000e-03 -4.2975000000e-03  2.6807000000e-03  4.2947000000e-03 -9.9220000000e-04  3.8430000000e-04  1.2526000000e-03  3.8500000000e-03  6.5545000000e-03 -1.1390000000e-03  9.1560000000e-04 -4.8233000000e-03  2.4320000000e-03  1.6009000000e-03 -2.2533000000e-03 -2.5442000000e-03 -1.0767000000e-03
-
-JOB 589
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5069800000e-01 -2.7747700000e-01  3.3992900000e-01  5.6972700000e-01  2.3067000000e-02  7.6883800000e-01 -5.8589500000e-01 -3.2047630000e+00 -7.9089200000e-01 -1.2990750000e+00 -2.7346020000e+00 -1.2228110000e+00  1.9779400000e-01 -2.9537530000e+00 -1.2798270000e+00
-ENERGY -1.526556619006e+02
-FORCES -1.2047000000e-03 -3.0553000000e-03  5.7332000000e-03  2.5742000000e-03  2.3849000000e-03 -2.1326000000e-03 -2.0409000000e-03  4.5560000000e-04 -3.1778000000e-03  2.0205000000e-03  5.3531000000e-03 -4.2676000000e-03  1.6786000000e-03 -2.0287000000e-03  2.4952000000e-03 -3.0277000000e-03 -3.1095000000e-03  1.3497000000e-03
-
-JOB 590
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9793500000e-01  4.8471600000e-01  8.0131400000e-01  5.8377000000e-01  5.7753700000e-01 -4.9182800000e-01 -2.3066360000e+00 -1.9197920000e+00  1.9179820000e+00 -2.7126170000e+00 -1.0949560000e+00  1.6514180000e+00 -2.3279110000e+00 -1.8995670000e+00  2.8747320000e+00
-ENERGY -1.526529866427e+02
-FORCES  2.1985000000e-03  3.6692000000e-03  1.7574000000e-03  8.0200000000e-05 -1.0968000000e-03 -3.6235000000e-03 -2.5174000000e-03 -2.6828000000e-03  2.1279000000e-03 -2.0214000000e-03  2.8079000000e-03  1.6246000000e-03  1.7682000000e-03 -2.9671000000e-03  2.1923000000e-03  4.9190000000e-04  2.6950000000e-04 -4.0786000000e-03
-
-JOB 591
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3682000000e-02 -5.8775300000e-01  7.5512700000e-01 -6.0505600000e-01 -3.9297400000e-01 -6.2905500000e-01  2.1439410000e+00  2.6311600000e-01 -1.7721330000e+00  1.3547900000e+00  3.4246000000e-01 -1.2362440000e+00  1.8250990000e+00  2.8981200000e-01 -2.6742740000e+00
-ENERGY -1.526590165006e+02
-FORCES  2.0778000000e-03 -5.2108000000e-03  1.0293000000e-03 -1.9059000000e-03  2.5028000000e-03 -3.7456000000e-03  5.0487000000e-03  2.6637000000e-03  1.6387000000e-03 -8.6959000000e-03  4.3700000000e-05  6.9132000000e-03  4.3761000000e-03  7.2660000000e-04 -9.6252000000e-03 -9.0100000000e-04 -7.2590000000e-04  3.7896000000e-03
-
-JOB 592
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9001600000e-01  7.0047000000e-02  9.3553200000e-01 -2.5429400000e-01 -9.1423700000e-01 -1.2544400000e-01  1.5315890000e+00  4.6540600000e-01  2.2700700000e+00  1.5778150000e+00  2.9756700000e-01  3.2113060000e+00  2.3270400000e+00  6.7729000000e-02  1.9160330000e+00
-ENERGY -1.526602976732e+02
-FORCES  3.3472000000e-03  1.4980000000e-04  9.7891000000e-03 -4.7871000000e-03 -2.7291000000e-03 -8.2186000000e-03  1.7894000000e-03  2.7595000000e-03  1.3627000000e-03  3.5655000000e-03 -1.4023000000e-03 -1.3766000000e-03  1.5550000000e-04  2.2600000000e-05 -4.9799000000e-03 -4.0705000000e-03  1.1994000000e-03  3.4234000000e-03
-
-JOB 593
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0615200000e-01 -2.6386300000e-01  1.5967600000e-01 -6.5385000000e-02  8.7606000000e-01  3.8009900000e-01 -3.2419700000e-01  2.3608450000e+00  1.2589380000e+00  1.8272600000e-01  3.0256700000e+00  7.9281700000e-01 -1.1221360000e+00  2.2598790000e+00  7.3996800000e-01
-ENERGY -1.526561395557e+02
-FORCES  2.6841000000e-03  1.3292700000e-02  1.0830700000e-02 -2.1902000000e-03  1.4719000000e-03 -6.5450000000e-04 -6.4332000000e-03 -3.3378000000e-03 -8.4585000000e-03 -1.2151000000e-03 -7.7740000000e-04 -4.2001000000e-03 -2.3215000000e-03 -5.5863000000e-03  1.7707000000e-03  9.4759000000e-03 -5.0632000000e-03  7.1170000000e-04
-
-JOB 594
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1332000000e-01 -2.8648200000e-01  2.6650000000e-03  1.5175000000e-02  7.5889800000e-01  5.8316000000e-01 -1.9760170000e+00  1.9365890000e+00 -1.3200260000e+00 -1.8788380000e+00  2.2873030000e+00 -4.3470800000e-01 -2.9092670000e+00  2.0267400000e+00 -1.5127710000e+00
-ENERGY -1.526518630493e+02
-FORCES -6.1482000000e-03  3.8608000000e-03 -1.5048000000e-03  3.9796000000e-03 -4.7780000000e-04  2.5319000000e-03 -6.1960000000e-04 -2.0310000000e-03 -1.6306000000e-03 -1.9048000000e-03  3.0337000000e-03  2.1277000000e-03  1.1530000000e-04 -2.8391000000e-03 -2.6260000000e-03  4.5777000000e-03 -1.5466000000e-03  1.1018000000e-03
-
-JOB 595
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9653100000e-01 -2.4620700000e-01 -8.3569000000e-01 -3.6128500000e-01 -8.1687700000e-01  3.4411800000e-01  2.2242780000e+00  9.2325800000e-01  1.2070310000e+00  1.6887280000e+00  3.8832700000e-01  6.2114200000e-01  1.6542040000e+00  1.1051510000e+00  1.9541330000e+00
-ENERGY -1.526555666626e+02
-FORCES  2.5209000000e-03 -6.0430000000e-04  1.0332000000e-03  1.6124000000e-03  1.6261000000e-03  7.8761000000e-03  3.0036000000e-03  4.7968000000e-03 -1.3337000000e-03 -1.8017500000e-02 -4.2692000000e-03 -4.2438000000e-03  7.9969000000e-03 -1.3461000000e-03 -3.2856000000e-03  2.8837000000e-03 -2.0320000000e-04 -4.6200000000e-05
-
-JOB 596
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8136000000e-01  2.5401000000e-01 -9.0488600000e-01  5.5477700000e-01 -7.6544000000e-01  1.5018500000e-01  1.7617380000e+00 -2.0891130000e+00  6.2013900000e-01  1.5092980000e+00 -2.5284620000e+00 -1.9194400000e-01  2.1004690000e+00 -2.7901300000e+00  1.1769760000e+00
-ENERGY -1.526573284824e+02
-FORCES  7.6807000000e-03 -5.3578000000e-03  2.6029000000e-03 -2.2100000000e-05 -2.5503000000e-03  2.8049000000e-03 -5.0955000000e-03  2.0746000000e-03 -7.8053000000e-03 -8.2160000000e-04 -2.2404000000e-03  2.2722000000e-03 -8.7810000000e-04  5.8550000000e-03  4.3114000000e-03 -8.6340000000e-04  2.2190000000e-03 -4.1862000000e-03
-
-JOB 597
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5325200000e-01  2.6399600000e-01 -9.0722200000e-01  8.5169800000e-01 -4.3649800000e-01 -1.7683000000e-02  1.7866760000e+00 -2.1189230000e+00  5.3652500000e-01  1.3807540000e+00 -2.2839730000e+00  1.3875340000e+00  2.5595240000e+00 -1.5911790000e+00  7.3758600000e-01
-ENERGY -1.526579856497e+02
-FORCES  6.1269000000e-03 -8.4059000000e-03 -1.9849000000e-03  1.5538000000e-03 -1.5042000000e-03  2.9444000000e-03 -2.0530000000e-03  9.4799000000e-03  1.9430000000e-04 -2.2938000000e-03 -1.0331000000e-03  5.9020000000e-03  3.4028000000e-03  9.2200000000e-04 -4.1987000000e-03 -6.7368000000e-03  5.4140000000e-04 -2.8570000000e-03
-
-JOB 598
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4515700000e-01 -9.0964600000e-01  2.6020200000e-01 -5.6715100000e-01 -5.7914000000e-02 -7.6890700000e-01 -2.3808500000e+00  5.5938600000e-01 -1.4827000000e+00 -2.4988100000e+00  1.5030790000e+00 -1.5911480000e+00 -2.7343040000e+00  1.7935600000e-01 -2.2869880000e+00
-ENERGY -1.526595286946e+02
-FORCES -8.1505000000e-03 -1.1467000000e-03 -4.4565000000e-03 -1.0816000000e-03  2.7136000000e-03 -1.5701000000e-03  8.8122000000e-03 -2.5506000000e-03  3.3907000000e-03 -2.0958000000e-03  4.4591000000e-03 -8.4360000000e-04 -1.4680000000e-04 -4.9608000000e-03 -6.2800000000e-04  2.6625000000e-03  1.4853000000e-03  4.1075000000e-03
-
-JOB 599
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7123700000e-01  7.2962000000e-01  5.9545400000e-01 -3.9502600000e-01  2.6923200000e-01 -8.2927700000e-01  8.7277500000e-01 -2.4101020000e+00 -4.6003200000e-01  5.7211600000e-01 -1.5042950000e+00 -3.8688900000e-01  1.5494000000e+00 -2.3844850000e+00 -1.1366080000e+00
-ENERGY -1.526563639747e+02
-FORCES  3.3354000000e-03 -8.6691000000e-03  1.6584000000e-03 -5.7300000000e-04 -1.9148000000e-03 -5.0161000000e-03  3.6660000000e-03 -2.8458000000e-03  4.4183000000e-03 -3.2569000000e-03  1.5446900000e-02  4.7675000000e-03 -3.3010000000e-04 -3.9716000000e-03 -7.3975000000e-03 -2.8413000000e-03  1.9543000000e-03  1.5695000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2625800000e-01 -5.2050000000e-01  6.0693000000e-01 -6.1224600000e-01 -6.2688300000e-01 -3.8523200000e-01  1.6704610000e+00  1.5079980000e+00  1.8169620000e+00  2.2013230000e+00  7.4715100000e-01  1.5813170000e+00  1.0658070000e+00  1.1816380000e+00  2.4833810000e+00
-ENERGY -1.526494429324e+02
-FORCES  1.3934000000e-03 -2.8734000000e-03  1.8201000000e-03 -6.3620000000e-04  1.5602000000e-03 -1.2460000000e-03  2.8740000000e-03  3.8038000000e-03  2.3884000000e-03 -3.1786000000e-03 -3.7252000000e-03 -1.3610000000e-03 -3.7809000000e-03  1.1080000000e-03  9.8140000000e-04  3.3282000000e-03  1.2650000000e-04 -2.5829000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8771400000e-01 -5.4346900000e-01  5.2484900000e-01 -5.2526900000e-01 -6.2632400000e-01 -4.9803900000e-01  1.7741900000e-01 -3.4316190000e+00  1.1912700000e-01 -4.6148900000e-01 -2.9662570000e+00  6.5900400000e-01  6.8795200000e-01 -2.7385920000e+00 -2.9956200000e-01
-ENERGY -1.526526722257e+02
-FORCES -1.6580000000e-04 -3.1603000000e-03  1.5820000000e-04 -3.1021000000e-03  5.7480000000e-04 -3.6472000000e-03  3.4821000000e-03  1.6819000000e-03  3.2397000000e-03 -4.2450000000e-04  3.1548000000e-03  6.6880000000e-04  3.5144000000e-03 -9.7480000000e-04 -3.3997000000e-03 -3.3039000000e-03 -1.2764000000e-03  2.9803000000e-03
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7626100000e-01 -7.0352600000e-01  5.2887700000e-01 -5.0392400000e-01 -4.5182400000e-01 -6.7686600000e-01 -3.3103870000e+00 -5.5773000000e-02 -2.1796900000e-01 -2.8303740000e+00 -7.2549400000e-01  2.6915900000e-01 -3.8110540000e+00 -5.4595600000e-01 -8.7010700000e-01
-ENERGY -1.526536281132e+02
-FORCES -4.3520000000e-04 -2.7940000000e-03 -2.2359000000e-03 -2.9465000000e-03  2.7808000000e-03 -1.9838000000e-03  2.9080000000e-03 -7.8600000000e-05  3.8949000000e-03 -8.1470000000e-04 -3.5121000000e-03  1.5548000000e-03 -2.0575000000e-03  1.5222000000e-03 -3.7170000000e-03  3.3459000000e-03  2.0817000000e-03  2.4870000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0044400000e-01 -6.7711800000e-01 -5.4533200000e-01 -6.4652000000e-01  4.1610900000e-01 -5.7017300000e-01 -1.5548750000e+00 -1.3093200000e+00  1.8870070000e+00 -1.0607200000e+00 -9.4011100000e-01  1.1550730000e+00 -2.2009670000e+00 -1.8831050000e+00  1.4752200000e+00
-ENERGY -1.526594757589e+02
-FORCES -1.9330000000e-04  2.3090000000e-04 -2.7189000000e-03 -4.2951000000e-03  2.8485000000e-03  3.6428000000e-03  2.5891000000e-03 -4.3802000000e-03  3.7705000000e-03  7.0548000000e-03  5.6497000000e-03 -9.3449000000e-03 -8.0748000000e-03 -6.9436000000e-03  5.1235000000e-03  2.9193000000e-03  2.5947000000e-03 -4.7300000000e-04
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4060700000e-01 -4.2879500000e-01  5.6744100000e-01  4.0490800000e-01  6.6603600000e-01  5.5558800000e-01  1.6523840000e+00 -1.5884620000e+00 -1.6278930000e+00  1.1159060000e+00 -9.1934400000e-01 -1.2028000000e+00  2.0723380000e+00 -1.1319270000e+00 -2.3568970000e+00
-ENERGY -1.526614303728e+02
-FORCES  3.8140000000e-04 -2.5967000000e-03  3.2282000000e-03  2.9873000000e-03  3.5055000000e-03 -1.5601000000e-03 -2.3050000000e-03 -3.2590000000e-03 -2.5233000000e-03 -6.3292000000e-03  7.1604000000e-03  4.5865000000e-03  6.9528000000e-03 -4.6601000000e-03 -6.8054000000e-03 -1.6872000000e-03 -1.5010000000e-04  3.0740000000e-03
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8607200000e-01  4.2097800000e-01  5.1799000000e-01  3.3582900000e-01 -6.9495000000e-01  5.6612300000e-01 -3.1706960000e+00  3.5894000000e-02 -1.7185000000e-02 -2.7965730000e+00 -8.1760400000e-01  2.0145700000e-01 -3.8454850000e+00 -1.5745600000e-01 -6.6795900000e-01
-ENERGY -1.526560381458e+02
-FORCES -2.4577000000e-03  1.8051000000e-03  3.5342000000e-03  5.2116000000e-03 -3.8033000000e-03 -5.7620000000e-04 -2.7862000000e-03  2.0961000000e-03 -2.5818000000e-03 -7.8160000000e-04 -4.5238000000e-03 -4.4494000000e-03 -1.6222000000e-03  4.2009000000e-03  1.1529000000e-03  2.4360000000e-03  2.2510000000e-04  2.9203000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0703000000e-01 -6.0309600000e-01  5.4353300000e-01 -4.4478300000e-01 -5.6358400000e-01 -6.3306600000e-01 -1.8205000000e+00 -1.7460100000e+00 -1.7469380000e+00 -1.2835450000e+00 -2.1950180000e+00 -2.3998560000e+00 -2.2917420000e+00 -1.0766130000e+00 -2.2429940000e+00
-ENERGY -1.526607432130e+02
-FORCES -3.9641000000e-03 -7.5257000000e-03 -2.2373000000e-03 -1.3110000000e-03  1.8176000000e-03 -2.0701000000e-03  6.9868000000e-03  6.6894000000e-03  3.7682000000e-03 -3.4665000000e-03 -7.8230000000e-04 -6.0396000000e-03 -1.7547000000e-03  3.1266000000e-03  4.0334000000e-03  3.5095000000e-03 -3.3257000000e-03  2.5455000000e-03
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7764000000e-01 -7.3934500000e-01 -3.7611300000e-01  6.6252700000e-01  4.9197900000e-01  4.8502200000e-01  1.6143670000e+00  1.5430230000e+00  1.4249760000e+00  1.7986540000e+00  7.7570700000e-01  1.9667280000e+00  2.4729300000e+00  1.8271670000e+00  1.1113450000e+00
-ENERGY -1.526561687448e+02
-FORCES  1.1084800000e-02  1.1230700000e-02  6.5901000000e-03  5.0570000000e-04  3.2874000000e-03  2.7340000000e-03 -3.3581000000e-03 -1.0814500000e-02  4.0930000000e-04 -6.2880000000e-04 -3.0349000000e-03 -3.4063000000e-03 -3.1323000000e-03  2.1511000000e-03 -8.4914000000e-03 -4.4712000000e-03 -2.8199000000e-03  2.1644000000e-03
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1293900000e-01  8.0280300000e-01  4.7581100000e-01  4.8535900000e-01 -5.3142700000e-01  6.3106600000e-01  1.6153180000e+00 -1.6420960000e+00 -1.5142930000e+00  1.1506050000e+00 -1.0690140000e+00 -2.1240880000e+00  2.2567720000e+00 -1.0718530000e+00 -1.0905120000e+00
-ENERGY -1.526543721973e+02
-FORCES  2.2270000000e-03 -4.9032000000e-03  3.0598000000e-03  2.2881000000e-03 -3.8492000000e-03 -3.0982000000e-03 -1.2549000000e-03  4.8049000000e-03 -1.0005000000e-03 -5.4987000000e-03  1.0808200000e-02  1.5151000000e-03  3.5420000000e-03 -3.6297000000e-03 -8.8170000000e-04 -1.3035000000e-03 -3.2311000000e-03  4.0540000000e-04
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8263500000e-01  4.8799700000e-01 -4.6054300000e-01  4.6504200000e-01  6.6227000000e-01  5.1124000000e-01 -1.8003110000e+00  1.6242830000e+00  1.5341310000e+00 -2.5090910000e+00  2.0050440000e+00  2.0526720000e+00 -1.2339860000e+00  1.1986030000e+00  2.1777950000e+00
-ENERGY -1.526562287046e+02
-FORCES -5.7583000000e-03  8.3113000000e-03  1.1045000000e-03  4.2066000000e-03 -3.4647000000e-03 -1.3641000000e-03 -8.8270000000e-04 -3.5810000000e-03  6.7580000000e-04  3.8050000000e-04 -2.9955000000e-03  4.2165000000e-03  3.1956000000e-03 -2.4836000000e-03 -2.2730000000e-03 -1.1418000000e-03  4.2135000000e-03 -2.3597000000e-03
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0463700000e-01 -7.2758400000e-01  4.7235900000e-01 -7.4524900000e-01 -3.9343200000e-01 -4.5392500000e-01 -3.4405220000e+00 -4.6030000000e-02 -7.6286000000e-02 -2.8492460000e+00 -5.4916300000e-01  4.8360900000e-01 -4.0137150000e+00 -7.0289500000e-01 -4.7152100000e-01
-ENERGY -1.526544120941e+02
-FORCES -7.6390000000e-04 -3.0690000000e-03 -1.9329000000e-03 -2.8267000000e-03  2.9847000000e-03 -1.6876000000e-03  3.8298000000e-03 -3.0350000000e-04  4.4125000000e-03 -2.1473000000e-03 -3.4746000000e-03  2.5946000000e-03 -1.3970000000e-03  1.0365000000e-03 -5.0153000000e-03  3.3051000000e-03  2.8259000000e-03  1.6287000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8822700000e-01 -6.3168800000e-01 -4.1375300000e-01  5.6751600000e-01  5.1859400000e-01  5.7027800000e-01 -1.4333240000e+00 -1.7634200000e+00 -1.5926230000e+00 -1.9571770000e+00 -1.0606890000e+00 -1.2079430000e+00 -2.0421040000e+00 -2.2311900000e+00 -2.1642960000e+00
-ENERGY -1.526585748526e+02
-FORCES  3.8465000000e-03 -3.5665000000e-03 -1.8045000000e-03  1.2600000000e-05  4.9479000000e-03  3.8058000000e-03 -1.9776000000e-03 -2.5966000000e-03 -2.5876000000e-03 -3.4481000000e-03  3.8981000000e-03  1.9673000000e-03 -5.6270000000e-04 -5.1207000000e-03 -4.0095000000e-03  2.1293000000e-03  2.4378000000e-03  2.6285000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7723700000e-01  4.2029000000e-01 -5.3003600000e-01 -4.6361300000e-01 -3.1514200000e-01  7.7587400000e-01  1.2813070000e+00 -1.6230840000e+00 -1.5203150000e+00  9.6920400000e-01 -1.1059660000e+00 -7.7774300000e-01  1.8714200000e+00 -1.0347560000e+00 -1.9913460000e+00
-ENERGY -1.526569975421e+02
-FORCES  2.7002000000e-03 -8.6357000000e-03 -1.1187000000e-02  2.6027000000e-03 -1.1096000000e-03  4.5233000000e-03  2.1074000000e-03  9.2660000000e-04 -5.1785000000e-03 -9.1975000000e-03  1.5099100000e-02  1.3074600000e-02  4.4754000000e-03 -5.8416000000e-03 -2.5737000000e-03 -2.6882000000e-03 -4.3890000000e-04  1.3412000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9862400000e-01  5.7822700000e-01 -5.7728700000e-01  6.4802100000e-01  5.7204300000e-01  4.1117900000e-01  1.6850990000e+00  1.5451320000e+00 -1.4921180000e+00  2.0748140000e+00  2.2790060000e+00 -1.9672840000e+00  1.1813220000e+00  1.0712080000e+00 -2.1538100000e+00
-ENERGY -1.526555781850e+02
-FORCES  7.0135000000e-03  1.0475900000e-02 -3.2494000000e-03  5.7550000000e-04 -3.4550000000e-03 -9.7520000000e-04 -3.6605000000e-03 -3.6335000000e-03  2.4013000000e-03 -1.8481000000e-03 -4.1625000000e-03 -3.0349000000e-03 -2.6958000000e-03 -3.7717000000e-03  2.4974000000e-03  6.1540000000e-04  4.5468000000e-03  2.3608000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6663500000e-01  4.8981200000e-01  6.7717700000e-01  5.0232800000e-01  6.6347100000e-01 -4.7297500000e-01 -3.4955930000e+00  3.4930000000e-02  4.7368000000e-02 -2.8113420000e+00  6.2219600000e-01 -2.7380500000e-01 -3.7516780000e+00 -4.7731300000e-01 -7.1961200000e-01
-ENERGY -1.526549517389e+02
-FORCES  1.8684000000e-03  3.3556000000e-03  2.8634000000e-03  1.4582000000e-03 -9.5770000000e-04 -4.7914000000e-03 -3.2115000000e-03 -2.8068000000e-03  1.6815000000e-03  3.0900000000e-03 -1.5177000000e-03 -5.8014000000e-03 -3.2149000000e-03 -4.5330000000e-04  3.0366000000e-03  9.8000000000e-06  2.3798000000e-03  3.0112000000e-03
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9098800000e-01  4.0235000000e-01 -6.3645900000e-01  6.3894200000e-01 -4.7416700000e-01 -5.3211900000e-01 -1.8390910000e+00 -1.5175690000e+00 -1.8311260000e+00 -1.1133240000e+00 -1.3252950000e+00 -2.4248640000e+00 -2.4149040000e+00 -2.0931590000e+00 -2.3344800000e+00
-ENERGY -1.526524852569e+02
-FORCES -3.9441000000e-03 -3.3870000000e-03 -5.1696000000e-03  4.8474000000e-03  3.0000000000e-04  1.5460000000e-03 -1.9839000000e-03  2.2569000000e-03  9.1170000000e-04  3.6790000000e-04 -2.6801000000e-03 -3.7706000000e-03 -2.2891000000e-03  1.0496000000e-03  3.7585000000e-03  3.0017000000e-03  2.4606000000e-03  2.7240000000e-03
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5841900000e-01 -5.6850400000e-01 -5.3028600000e-01 -2.5882600000e-01  7.0424800000e-01 -5.9437000000e-01  1.6741210000e+00 -1.4561140000e+00 -1.6104830000e+00  2.3368750000e+00 -1.9907370000e+00 -1.1732560000e+00  2.1750400000e+00 -8.6583900000e-01 -2.1734100000e+00
-ENERGY -1.526602350934e+02
-FORCES  8.0095000000e-03 -7.1891000000e-03 -1.0666300000e-02 -5.6296000000e-03  5.6157000000e-03  6.4188000000e-03  1.6569000000e-03 -1.9379000000e-03  9.9410000000e-04  1.6682000000e-03  2.9968000000e-03  2.6564000000e-03 -3.0724000000e-03  3.4528000000e-03 -2.6814000000e-03 -2.6325000000e-03 -2.9383000000e-03  3.2784000000e-03
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2887800000e-01  5.8702400000e-01 -5.4029900000e-01 -5.0434900000e-01 -5.1590900000e-01 -6.2904800000e-01  1.6233890000e+00  1.5991710000e+00  1.4557120000e+00  1.2246310000e+00  2.4449080000e+00  1.2508840000e+00  9.7499000000e-01  1.1539610000e+00  2.0012380000e+00
-ENERGY -1.526559442971e+02
-FORCES  5.6654000000e-03  3.5551000000e-03 -1.7079000000e-03 -5.4711000000e-03 -2.5394000000e-03 -1.0692000000e-03  3.1094000000e-03  3.0416000000e-03  2.8247000000e-03 -8.9934000000e-03 -4.2351000000e-03  6.5400000000e-04  1.6385000000e-03 -3.7606000000e-03 -1.3019000000e-03  4.0513000000e-03  3.9384000000e-03  6.0020000000e-04
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8737800000e-01  5.6536300000e-01 -3.5228900000e-01 -5.3209000000e-02 -7.2769100000e-01 -6.1957000000e-01 -1.6357430000e+00 -1.9867450000e+00  1.7896910000e+00 -2.1018960000e+00 -1.4845620000e+00  1.1213000000e+00 -9.8525700000e-01 -2.4909190000e+00  1.3009090000e+00
-ENERGY -1.526528483580e+02
-FORCES  3.5385000000e-03  2.7560000000e-04 -3.4733000000e-03 -3.0195000000e-03 -2.7940000000e-03  1.8365000000e-03 -1.1689000000e-03  2.0142000000e-03  3.7256000000e-03  3.1689000000e-03  3.9289000000e-03 -4.9993000000e-03  4.1940000000e-04 -4.1415000000e-03  2.0322000000e-03 -2.9384000000e-03  7.1680000000e-04  8.7830000000e-04
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8306200000e-01 -2.6881500000e-01  4.8039900000e-01  3.3359000000e-01  3.4988200000e-01 -8.2615500000e-01  1.7059890000e+00 -1.8171840000e+00  1.6142830000e+00  2.2778680000e+00 -2.3824930000e+00  1.0950410000e+00  2.3049820000e+00 -1.2410030000e+00  2.0891040000e+00
-ENERGY -1.526578367186e+02
-FORCES  5.8547000000e-03 -4.4382000000e-03  2.4281000000e-03 -3.1496000000e-03  8.1994000000e-03 -4.4507000000e-03 -3.0910000000e-04 -1.9671000000e-03  3.2151000000e-03  4.1180000000e-03 -4.2606000000e-03  9.9690000000e-04 -2.4041000000e-03  3.5496000000e-03  2.5561000000e-03 -4.1099000000e-03 -1.0832000000e-03 -4.7455000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3436900000e-01 -5.3006400000e-01 -6.6827200000e-01  7.0721300000e-01  2.8074400000e-01  5.8074400000e-01 -3.2479350000e+00  1.7691900000e-01  1.0841200000e-01 -3.7579520000e+00  8.0865200000e-01 -3.9856700000e-01 -2.5990380000e+00  7.0781600000e-01  5.7027000000e-01
-ENERGY -1.526555013396e+02
-FORCES  4.5697000000e-03 -3.1241000000e-03 -2.1431000000e-03 -7.5400000000e-04  2.5986000000e-03  3.0414000000e-03 -3.8303000000e-03 -7.3890000000e-04 -2.2026000000e-03  3.9613000000e-03  4.2665000000e-03 -2.4300000000e-04  1.9758000000e-03 -2.4861000000e-03  1.7146000000e-03 -5.9225000000e-03 -5.1600000000e-04 -1.6740000000e-04
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4162000000e-01 -5.8288100000e-01 -5.3210000000e-01 -6.6160300000e-01  3.3288900000e-01 -6.0638200000e-01  1.7711710000e+00 -1.7082270000e+00 -1.9893410000e+00  2.4082850000e+00 -2.0686040000e+00 -1.3725380000e+00  2.2784480000e+00 -1.1065450000e+00 -2.5342100000e+00
-ENERGY -1.526608045831e+02
-FORCES  1.1989000000e-03 -3.8328000000e-03 -7.4812000000e-03 -3.7155000000e-03  5.0942000000e-03  7.3839000000e-03  2.1056000000e-03 -4.7680000000e-04  2.1224000000e-03  6.8373000000e-03 -7.1770000000e-04 -2.4229000000e-03 -3.8712000000e-03  2.8575000000e-03 -2.4876000000e-03 -2.5552000000e-03 -2.9243000000e-03  2.8854000000e-03
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5027600000e-01  4.4930200000e-01 -5.3990700000e-01 -4.9944600000e-01 -3.4446600000e-01  7.4035700000e-01 -1.5042910000e+00 -1.9752890000e+00 -1.4573360000e+00 -2.1457550000e+00 -1.3546020000e+00 -1.1116430000e+00 -8.8974200000e-01 -1.4341690000e+00 -1.9530670000e+00
-ENERGY -1.526497978788e+02
-FORCES -6.8802000000e-03 -5.5455000000e-03  4.2000000000e-04  1.4549000000e-03 -3.7584000000e-03 -2.5280000000e-04  1.4563000000e-03  3.2083000000e-03 -2.5648000000e-03  5.8643000000e-03  7.8654000000e-03  2.8489000000e-03  2.6269000000e-03 -7.2560000000e-04 -7.5300000000e-05 -4.5221000000e-03 -1.0443000000e-03 -3.7600000000e-04
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2100500000e-01 -3.7475100000e-01  7.1017400000e-01  6.2521900000e-01  5.1421900000e-01 -5.1079500000e-01  1.5309740000e+00 -1.4480110000e+00  1.6546090000e+00  1.9747230000e+00 -2.0442840000e+00  1.0514700000e+00  2.2252050000e+00 -8.7457600000e-01  1.9793370000e+00
-ENERGY -1.526582087076e+02
-FORCES  1.0604500000e-02 -8.5040000000e-03  1.0585100000e-02 -3.8714000000e-03  7.6921000000e-03 -6.0696000000e-03 -4.7470000000e-04 -2.4049000000e-03  2.3919000000e-03 -7.9000000000e-05  4.9030000000e-04 -6.1428000000e-03 -1.2979000000e-03  4.2945000000e-03  3.5536000000e-03 -4.8815000000e-03 -1.5680000000e-03 -4.3182000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6698100000e-01 -4.6887300000e-01  5.0152400000e-01  4.9317700000e-01  6.3197200000e-01 -5.2308700000e-01  1.8612850000e+00  1.5970430000e+00  1.5838270000e+00  2.4794450000e+00  1.1972170000e+00  9.7206900000e-01  1.3440600000e+00  2.1959350000e+00  1.0452740000e+00
-ENERGY -1.526504299584e+02
-FORCES  7.8565000000e-03  3.1164000000e-03  5.8206000000e-03 -1.7976000000e-03 -3.9300000000e-04 -4.2768000000e-03 -8.8530000000e-04 -1.3880000000e-04  1.8989000000e-03 -3.9492000000e-03  3.4110000000e-04 -5.4343000000e-03 -4.6566000000e-03 -3.8570000000e-04  1.5145000000e-03  3.4323000000e-03 -2.5399000000e-03  4.7710000000e-04
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9227800000e-01  5.1839600000e-01 -5.4470500000e-01  4.6108700000e-01  6.4596100000e-01  5.3513100000e-01  1.4949860000e+00 -1.8511490000e+00  1.4990240000e+00  9.9145800000e-01 -1.3842110000e+00  2.1658510000e+00  1.7883930000e+00 -1.1671470000e+00  8.9712300000e-01
-ENERGY -1.526516267365e+02
-FORCES -7.1850000000e-04  2.9808000000e-03  2.4160000000e-04  2.6530000000e-03 -3.0003000000e-03  3.1492000000e-03  1.8520000000e-04 -5.7567000000e-03 -1.5177000000e-03 -7.1854000000e-03  6.5395000000e-03 -5.2057000000e-03  3.1672000000e-03 -8.2600000000e-04 -1.0446000000e-03  1.8985000000e-03  6.2700000000e-05  4.3773000000e-03
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7038500000e-01 -3.8665600000e-01  5.6330500000e-01  3.9920100000e-01  6.8441500000e-01  5.3707200000e-01  1.6505590000e+00 -1.5404970000e+00  1.6838850000e+00  2.0410630000e+00 -2.3026730000e+00  2.1114670000e+00  9.6403800000e-01 -1.9044380000e+00  1.1248970000e+00
-ENERGY -1.526552759106e+02
-FORCES  3.3762000000e-03  2.2824000000e-03  7.9830000000e-03  3.8894000000e-03 -1.6660000000e-03 -2.7543000000e-03 -3.4920000000e-03 -1.0666000000e-03 -3.5070000000e-03 -2.1421000000e-03 -1.7692000000e-03 -4.8592000000e-03 -2.4251000000e-03  3.3143000000e-03 -2.7584000000e-03  7.9360000000e-04 -1.0950000000e-03  5.8959000000e-03
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2037300000e-01 -3.5840800000e-01 -5.1849700000e-01 -5.5270900000e-01  4.5215900000e-01 -6.3741500000e-01  1.7212500000e+00  1.4717010000e+00  1.5498590000e+00  1.3276690000e+00  2.2202120000e+00  1.9982540000e+00  9.9214700000e-01  8.6896900000e-01  1.4037270000e+00
-ENERGY -1.526592951015e+02
-FORCES  4.9160000000e-03  5.4193000000e-03 -3.1423000000e-03 -4.1835000000e-03  1.4301000000e-03  2.5886000000e-03  2.4474000000e-03 -2.5718000000e-03  2.1140000000e-03 -1.0226000000e-02 -4.7403000000e-03 -5.0370000000e-03  1.7220000000e-04 -2.4983000000e-03 -2.1636000000e-03  6.8740000000e-03  2.9611000000e-03  5.6404000000e-03
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8356600000e-01  3.2770100000e-01 -5.8445000000e-01 -4.0480800000e-01 -7.4085400000e-01  4.5110700000e-01  1.8688850000e+00  1.7021760000e+00  1.8603110000e+00  2.2479590000e+00  9.2383500000e-01  2.2686250000e+00  1.2668860000e+00  1.3579830000e+00  1.2004920000e+00
-ENERGY -1.526606518987e+02
-FORCES -5.5200000000e-03 -2.7468000000e-03 -1.3839000000e-03  2.8891000000e-03 -1.9379000000e-03  2.9500000000e-03  1.8166000000e-03  3.3696000000e-03 -2.3186000000e-03 -3.2209000000e-03 -6.6705000000e-03 -4.1754000000e-03 -1.1001000000e-03  2.5127000000e-03 -5.6360000000e-04  5.1354000000e-03  5.4728000000e-03  5.4915000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2435500000e-01 -5.1730100000e-01 -6.1129600000e-01 -5.2100800000e-01  5.7648700000e-01 -5.5896800000e-01  1.8636700000e+00  1.5276250000e+00 -1.6926440000e+00  1.3990640000e+00  1.8038090000e+00 -9.0264700000e-01  1.2474250000e+00  9.5097200000e-01 -2.1442470000e+00
-ENERGY -1.526517881143e+02
-FORCES  2.3884000000e-03 -7.1400000000e-04 -5.6768000000e-03 -3.2969000000e-03  3.3854000000e-03  7.4390000000e-04  5.2764000000e-03 -5.9130000000e-04  1.4774000000e-03 -6.0252000000e-03 -2.8569000000e-03  6.0072000000e-03  9.1150000000e-04  1.0869000000e-03 -5.2049000000e-03  7.4580000000e-04 -3.1010000000e-04  2.6531000000e-03
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8088000000e-01 -6.4192600000e-01 -2.0140800000e-01 -4.4073300000e-01 -3.5223700000e-01  7.7325000000e-01 -1.9496190000e+00 -1.5139060000e+00 -1.5311640000e+00 -1.3916400000e+00 -1.1761050000e+00 -2.2317220000e+00 -2.6184250000e+00 -2.0278110000e+00 -1.9837480000e+00
-ENERGY -1.526540712589e+02
-FORCES -3.8581000000e-03 -7.1538000000e-03  1.8125000000e-03 -2.0653000000e-03  2.9678000000e-03 -3.2210000000e-04  3.4819000000e-03  2.4966000000e-03 -1.1061000000e-03  1.9887000000e-03  2.8020000000e-03 -4.4191000000e-03 -2.7500000000e-03 -3.7020000000e-03  1.2453000000e-03  3.2028000000e-03  2.5893000000e-03  2.7895000000e-03
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6045100000e-01  5.8017100000e-01  5.1529400000e-01  5.9208000000e-01  5.9014000000e-01 -4.6627000000e-01 -1.5143310000e+00 -1.5451280000e+00  1.8126840000e+00 -1.0349550000e+00 -2.0687350000e+00  1.1706040000e+00 -2.2166880000e+00 -1.1327720000e+00  1.3098040000e+00
-ENERGY -1.526555236337e+02
-FORCES -1.1433000000e-03  3.4278000000e-03  4.1843000000e-03  1.0155000000e-03 -9.7320000000e-04 -4.9100000000e-03 -2.7040000000e-03 -2.6955000000e-03  2.9481000000e-03  3.7591000000e-03  2.8370000000e-04 -9.0251000000e-03 -3.6487000000e-03 -8.1620000000e-04  4.0669000000e-03  2.7213000000e-03  7.7350000000e-04  2.7357000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5473300000e-01  5.7819100000e-01 -5.2363900000e-01 -4.2568400000e-01 -5.6937600000e-01 -6.4096400000e-01 -9.0234000000e-02 -3.2561800000e+00 -2.1526000000e-01  5.4676200000e-01 -2.8869610000e+00 -8.2693300000e-01 -4.6563000000e-01 -4.0031200000e+00 -6.8151300000e-01
-ENERGY -1.526542282941e+02
-FORCES -1.5135000000e-03 -7.2930000000e-04 -3.3514000000e-03 -1.9161000000e-03 -3.3765000000e-03  1.9782000000e-03  3.5316000000e-03  4.0666000000e-03  8.1910000000e-04  2.8416000000e-03 -3.0017000000e-03 -2.7846000000e-03 -4.4793000000e-03 -8.2740000000e-04  1.3231000000e-03  1.5357000000e-03  3.8683000000e-03  2.0157000000e-03
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6502900000e-01 -5.3178200000e-01 -5.6052000000e-01 -3.9263900000e-01  6.4026200000e-01 -5.9340600000e-01 -1.6932060000e+00 -1.7132330000e+00 -1.7939760000e+00 -2.2804690000e+00 -1.1712460000e+00 -1.2670940000e+00 -1.2398200000e+00 -1.0919190000e+00 -2.3637490000e+00
-ENERGY -1.526514339809e+02
-FORCES -3.9310000000e-04 -3.9666000000e-03 -6.2169000000e-03 -1.0609000000e-03  4.0821000000e-03  1.6094000000e-03 -2.3800000000e-05 -3.2845000000e-03  1.3599000000e-03  5.4290000000e-04  6.4610000000e-03  4.5389000000e-03  9.9490000000e-04 -1.7146000000e-03 -4.0629000000e-03 -6.0100000000e-05 -1.5774000000e-03  2.7717000000e-03
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3193000000e-01 -5.1589600000e-01  6.8082300000e-01 -6.4281100000e-01 -5.9740200000e-01 -3.8227800000e-01 -1.6606180000e+00  1.5307370000e+00  2.0450940000e+00 -1.1816330000e+00  9.1903100000e-01  1.4859690000e+00 -9.9143100000e-01  1.9087720000e+00  2.6156280000e+00
-ENERGY -1.526590399856e+02
-FORCES  1.3665000000e-03 -5.8388000000e-03 -3.1026000000e-03 -4.2851000000e-03  4.5534000000e-03 -1.7170000000e-03  3.0041000000e-03  3.5166000000e-03  3.3621000000e-03  7.2444000000e-03 -1.6885000000e-03 -5.3007000000e-03 -5.3322000000e-03  1.3558000000e-03  8.3976000000e-03 -1.9978000000e-03 -1.8984000000e-03 -1.6394000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5860300000e-01  6.0965000000e-01  5.7813700000e-01  7.3828000000e-01  5.0364800000e-01 -3.4280200000e-01 -1.4685060000e+00 -1.5517510000e+00 -1.7339460000e+00 -1.9952980000e+00 -2.0210860000e+00 -1.0870710000e+00 -1.0525510000e+00 -8.4626500000e-01 -1.2384640000e+00
-ENERGY -1.526599764758e+02
-FORCES  3.9880000000e-04  8.9730000000e-04 -1.3740000000e-03  2.1213000000e-03 -3.4559000000e-03 -3.6378000000e-03 -4.6290000000e-03 -1.9769000000e-03  2.0787000000e-03  6.9845000000e-03  6.3015000000e-03  1.1359100000e-02  9.4100000000e-04  1.6820000000e-03 -1.5842000000e-03 -5.8166000000e-03 -3.4480000000e-03 -6.8419000000e-03
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0487000000e-01 -5.5770400000e-01  5.9186500000e-01 -6.0119300000e-01 -6.0030200000e-01 -4.4095000000e-01  1.6861180000e+00  1.5968480000e+00  1.6238320000e+00  1.0246580000e+00  1.1094420000e+00  2.1148910000e+00  1.9626050000e+00  2.2931600000e+00  2.2195980000e+00
-ENERGY -1.526521508109e+02
-FORCES  2.3994000000e-03 -4.0105000000e-03 -6.6300000000e-05 -4.1984000000e-03  3.0360000000e-03  3.8800000000e-05  2.9004000000e-03  3.3453000000e-03  1.8083000000e-03 -4.3454000000e-03  1.1061000000e-03  2.4962000000e-03  4.8632000000e-03 -8.3130000000e-04 -1.1971000000e-03 -1.6192000000e-03 -2.6456000000e-03 -3.0800000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9546200000e-01 -4.5228300000e-01 -5.9757600000e-01  5.6519100000e-01  5.8426400000e-01  5.0539700000e-01  1.6247150000e+00  1.6406500000e+00 -1.6385670000e+00  2.2222370000e+00  2.1626840000e+00 -2.1739930000e+00  1.2862860000e+00  9.7443000000e-01 -2.2367700000e+00
-ENERGY -1.526541980108e+02
-FORCES  8.9194000000e-03  6.1924000000e-03 -2.0486000000e-03 -3.0929000000e-03  7.0080000000e-04 -1.2353000000e-03 -3.4987000000e-03 -3.8147000000e-03  1.3575000000e-03 -2.3726000000e-03 -1.1728000000e-03 -4.2716000000e-03 -3.3202000000e-03 -2.5049000000e-03  2.7755000000e-03  3.3651000000e-03  5.9910000000e-04  3.4225000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2061800000e-01  2.6741300000e-01  6.7790600000e-01  4.3680600000e-01 -7.6971200000e-01  3.6465900000e-01  1.5753310000e+00  1.5077520000e+00  1.7864330000e+00  1.9718880000e+00  7.8597900000e-01  1.2985630000e+00  8.9627300000e-01  1.0931900000e+00  2.3186460000e+00
-ENERGY -1.526480986530e+02
-FORCES  7.0450000000e-04  3.3935000000e-03  6.9819000000e-03  2.8210000000e-03 -2.1590000000e-03 -1.1254000000e-03  7.5970000000e-04  5.3703000000e-03 -2.4300000000e-05 -5.6320000000e-03 -7.8395000000e-03 -7.7680000000e-03  8.7240000000e-04  4.1300000000e-04  3.8833000000e-03  4.7440000000e-04  8.2170000000e-04 -1.9475000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0522800000e-01 -5.7109400000e-01 -3.0452600000e-01  3.4868300000e-01  4.1101700000e-01  7.9102300000e-01 -1.3792590000e+00  1.6453080000e+00  1.7128520000e+00 -1.9551400000e+00  2.2454750000e+00  2.1865520000e+00 -1.9634330000e+00  9.6282200000e-01  1.3824190000e+00
-ENERGY -1.526590829514e+02
-FORCES  2.6879000000e-03  3.1760000000e-03  3.8755000000e-03 -2.3610000000e-03  2.9246000000e-03  1.8530000000e-03  6.0270000000e-04 -5.5196000000e-03 -4.7979000000e-03 -3.8981000000e-03 -2.0114000000e-03 -2.6350000000e-03  1.5906000000e-03 -2.8028000000e-03 -2.5365000000e-03  1.3779000000e-03  4.2332000000e-03  4.2410000000e-03
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8957500000e-01  5.1064700000e-01 -4.2421500000e-01 -4.3772700000e-01 -4.3125800000e-01  7.3392300000e-01  1.6337720000e+00  1.5732110000e+00  1.5668480000e+00  1.0482550000e+00  2.0509480000e+00  2.1543590000e+00  1.0498660000e+00  1.0395560000e+00  1.0278700000e+00
-ENERGY -1.526591871002e+02
-FORCES -2.5050000000e-03  1.1674000000e-03  7.8060000000e-04  3.5673000000e-03 -2.4970000000e-03  3.7564000000e-03  3.5233000000e-03  5.4020000000e-03 -2.8343000000e-03 -9.1279000000e-03 -6.8308000000e-03 -8.4712000000e-03  4.2790000000e-04 -2.5083000000e-03 -2.4911000000e-03  4.1144000000e-03  5.2668000000e-03  9.2597000000e-03
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4581700000e-01  6.5347200000e-01 -6.5481300000e-01 -5.9024000000e-01 -5.9406400000e-01 -4.6361300000e-01 -1.5986090000e+00  1.6757110000e+00 -1.4288860000e+00 -1.2723780000e+00  1.0893820000e+00 -2.1115460000e+00 -2.2014660000e+00  1.1363030000e+00 -9.1718900000e-01
-ENERGY -1.526486799963e+02
-FORCES -7.2649000000e-03  9.2440000000e-03 -8.3961000000e-03  1.8329000000e-03 -4.8292000000e-03 -8.2780000000e-04 -2.0750000000e-04  2.8537000000e-03  7.0220000000e-04  1.4845000000e-03 -9.1241000000e-03  6.8734000000e-03  2.5031000000e-03  8.3980000000e-04  5.6128000000e-03  1.6519000000e-03  1.0158000000e-03 -3.9645000000e-03
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4345900000e-01 -6.8097400000e-01  5.7839600000e-01 -5.2934000000e-01 -4.7424800000e-01 -6.4118700000e-01 -1.6303210000e+00 -1.5871610000e+00 -1.8403060000e+00 -1.1122520000e+00 -2.2924370000e+00 -2.2281490000e+00 -2.2179200000e+00 -2.0298330000e+00 -1.2279340000e+00
-ENERGY -1.526607047677e+02
-FORCES -4.8010000000e-03 -7.0791000000e-03 -5.9737000000e-03 -1.5105000000e-03  1.5252000000e-03 -2.0419000000e-03  5.7262000000e-03  4.7995000000e-03  8.0979000000e-03 -1.4555000000e-03 -5.0305000000e-03 -8.3330000000e-04 -2.5793000000e-03  3.4407000000e-03  3.1672000000e-03  4.6200000000e-03  2.3442000000e-03 -2.4162000000e-03
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3046800000e-01  4.3698400000e-01 -7.8490000000e-01 -7.7320100000e-01 -4.0534200000e-01  3.9254200000e-01 -2.0685400000e-01  3.0779250000e+00  1.2884800000e-01 -6.8684900000e-01  3.4739810000e+00 -5.9845900000e-01  1.0830700000e-01  3.8220250000e+00  6.4189800000e-01
-ENERGY -1.526523191915e+02
-FORCES -4.5561000000e-03  4.8896000000e-03 -7.9370000000e-04  6.0720000000e-04 -3.8326000000e-03  1.0678000000e-03  2.9934000000e-03  1.1598000000e-03 -1.4647000000e-03  6.8420000000e-04  4.5896000000e-03  7.7340000000e-04  1.9353000000e-03 -3.5714000000e-03  2.6455000000e-03 -1.6641000000e-03 -3.2350000000e-03 -2.2282000000e-03
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9848000000e-01  5.1445000000e-01 -6.3489400000e-01 -5.3154400000e-01 -5.9042600000e-01 -5.3393700000e-01 -1.6590770000e+00  1.6687830000e+00  1.8482850000e+00 -1.0059510000e+00  1.3287210000e+00  1.2367170000e+00 -2.3618670000e+00  2.0000150000e+00  1.2891760000e+00
-ENERGY -1.526601481036e+02
-FORCES -1.8060000000e-04 -3.5493000000e-03 -4.8117000000e-03 -3.7848000000e-03 -1.6191000000e-03  3.6141000000e-03  3.0270000000e-03  3.3975000000e-03  1.7211000000e-03  3.4510000000e-03 -4.3798000000e-03 -7.2022000000e-03 -4.7819000000e-03  7.4369000000e-03  5.2477000000e-03  2.2693000000e-03 -1.2862000000e-03  1.4311000000e-03
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5622400000e-01  3.6576600000e-01 -6.8779500000e-01 -5.6401700000e-01 -6.2232000000e-01  4.5916600000e-01  1.7985730000e+00  1.5580360000e+00 -1.7829610000e+00  1.1077000000e+00  2.1266510000e+00 -1.4429580000e+00  2.1411970000e+00  1.1084410000e+00 -1.0104940000e+00
-ENERGY -1.526566096285e+02
-FORCES -4.1580000000e-03 -1.5025000000e-03 -2.8863000000e-03  1.5050000000e-03  1.9700000000e-05  4.5606000000e-03  2.4513000000e-03  2.6498000000e-03 -2.6338000000e-03 -2.0059000000e-03 -2.3791000000e-03  8.1733000000e-03  6.8290000000e-04 -2.1593000000e-03 -2.8403000000e-03  1.5246000000e-03  3.3714000000e-03 -4.3735000000e-03
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8868400000e-01  4.1033100000e-01  6.3349100000e-01 -5.4569400000e-01 -6.4240900000e-01 -4.5360800000e-01 -1.5581820000e+00 -1.7156480000e+00 -1.5233550000e+00 -2.1854740000e+00 -1.2610180000e+00 -2.0855360000e+00 -2.0892380000e+00 -2.0746230000e+00 -8.1247700000e-01
-ENERGY -1.526590780983e+02
-FORCES -8.3204000000e-03 -7.4252000000e-03 -7.4017000000e-03  5.4530000000e-04 -2.3721000000e-03 -2.5910000000e-03  3.7265000000e-03  5.2067000000e-03  9.2572000000e-03 -2.8133000000e-03  2.3494000000e-03 -8.0250000000e-04  2.5355000000e-03 -2.8345000000e-03  3.8922000000e-03  4.3264000000e-03  5.0757000000e-03 -2.3541000000e-03
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2547200000e-01 -1.8936100000e-01  5.9503300000e-01  4.1969200000e-01  3.4599100000e-01 -7.8764300000e-01 -1.9248060000e+00  1.5372680000e+00  1.5686550000e+00 -1.4939640000e+00  9.7136400000e-01  9.2806200000e-01 -2.4865970000e+00  2.1084380000e+00  1.0448350000e+00
-ENERGY -1.526612972427e+02
-FORCES  5.1549000000e-03  1.5439000000e-03  6.5540000000e-04 -2.9280000000e-03  7.6040000000e-04 -3.8478000000e-03 -1.5743000000e-03 -1.6765000000e-03  3.7624000000e-03  4.1693000000e-03 -3.9339000000e-03 -7.1437000000e-03 -7.1709000000e-03  5.2443000000e-03  5.6866000000e-03  2.3491000000e-03 -1.9383000000e-03  8.8710000000e-04
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6175000000e-01  5.5934300000e-01 -6.2462300000e-01 -7.5086100000e-01 -3.3678500000e-01 -4.8889200000e-01  1.9373620000e+00  1.6445230000e+00 -1.6595550000e+00  2.4581330000e+00  9.4908800000e-01 -2.0613020000e+00  2.5401810000e+00  2.0767640000e+00 -1.0545690000e+00
-ENERGY -1.526616887526e+02
-FORCES  2.0537000000e-03  4.6280000000e-03 -6.0993000000e-03 -6.1981000000e-03 -7.0142000000e-03  5.5153000000e-03  3.0002000000e-03  1.1517000000e-03  9.7350000000e-04  6.8642000000e-03  4.3960000000e-04  6.6360000000e-04 -3.1683000000e-03  3.1953000000e-03  2.3302000000e-03 -2.5517000000e-03 -2.4004000000e-03 -3.3833000000e-03
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6639300000e-01  5.9038300000e-01 -4.9686900000e-01  4.1865000000e-01  5.6158200000e-01  6.5237200000e-01 -1.5538540000e+00  1.6869290000e+00 -1.5643890000e+00 -1.9366570000e+00  2.2653170000e+00 -9.0472200000e-01 -2.2789830000e+00  1.1276810000e+00 -1.8430670000e+00
-ENERGY -1.526597829470e+02
-FORCES -5.6222000000e-03  1.0415200000e-02 -7.8786000000e-03  3.3039000000e-03 -6.8794000000e-03  8.4160000000e-03 -2.3441000000e-03 -6.2820000000e-04 -2.1369000000e-03 -3.4163000000e-03 -9.0480000000e-04  8.3070000000e-04  3.4880000000e-03 -4.8315000000e-03 -2.1580000000e-03  4.5908000000e-03  2.8287000000e-03  2.9268000000e-03
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2644300000e-01  4.3777500000e-01 -5.7632900000e-01 -4.3619700000e-01 -6.4041200000e-01 -5.6199400000e-01  1.8204350000e+00  1.6689400000e+00 -1.5361700000e+00  1.3956860000e+00  2.2924350000e+00 -2.1253000000e+00  2.4190300000e+00  2.2023460000e+00 -1.0132990000e+00
-ENERGY -1.526619152434e+02
-FORCES  5.7636000000e-03  3.5186000000e-03 -6.8593000000e-03 -6.9813000000e-03 -6.4394000000e-03  5.4159000000e-03  1.4881000000e-03  2.6159000000e-03  1.0048000000e-03  2.6930000000e-04  4.9391000000e-03  9.0770000000e-04  2.4734000000e-03 -2.8021000000e-03  2.8357000000e-03 -3.0130000000e-03 -1.8322000000e-03 -3.3047000000e-03
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1252100000e-01  5.6575000000e-01  4.7008100000e-01  4.6914400000e-01 -4.7058000000e-01  6.8897800000e-01  1.6668020000e+00 -1.5632830000e+00 -1.6817600000e+00  1.0115360000e+00 -9.9058000000e-01 -2.0803440000e+00  1.1567400000e+00 -2.2571060000e+00 -1.2638150000e+00
-ENERGY -1.526560577848e+02
-FORCES  3.4027000000e-03 -9.6250000000e-04  4.2193000000e-03  3.2377000000e-03 -2.7309000000e-03 -2.4862000000e-03 -4.2850000000e-03  1.5038000000e-03 -1.7600000000e-03 -9.1925000000e-03  4.2608000000e-03  2.4035000000e-03  3.8128000000e-03 -3.6690000000e-03 -2.2333000000e-03  3.0242000000e-03  1.5978000000e-03 -1.4320000000e-04
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2589300000e-01  7.5097300000e-01 -4.1338300000e-01  5.9699500000e-01  3.8562800000e-01  6.4118600000e-01  1.6257330000e+00 -1.5634130000e+00  1.7674220000e+00  2.2178520000e+00 -2.0759280000e+00  2.3178350000e+00  2.1929190000e+00 -9.2623700000e-01  1.3332110000e+00
-ENERGY -1.526515078377e+02
-FORCES  2.2470000000e-04  3.0002000000e-03  3.5177000000e-03  1.7515000000e-03 -3.8048000000e-03  2.0591000000e-03  1.1700000000e-03 -9.0540000000e-04 -4.5366000000e-03  4.5389000000e-03 -7.6110000000e-04 -1.2776000000e-03 -3.0618000000e-03  1.9149000000e-03 -2.8284000000e-03 -4.6233000000e-03  5.5620000000e-04  3.0659000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8233100000e-01  4.0327900000e-01  5.3667700000e-01  3.7673800000e-01 -6.7824600000e-01  5.6061000000e-01  1.6595840000e+00 -1.9299020000e+00 -1.5919050000e+00  1.0480620000e+00 -2.3450690000e+00 -9.8370300000e-01  2.1655100000e+00 -1.3257530000e+00 -1.0485140000e+00
-ENERGY -1.526512323734e+02
-FORCES -1.5364000000e-03 -7.1050000000e-04  3.8938000000e-03  3.1024000000e-03 -2.2640000000e-03 -3.0304000000e-03  1.9000000000e-05  1.2358000000e-03 -3.9483000000e-03 -3.5229000000e-03  4.7246000000e-03  3.9485000000e-03  3.2907000000e-03  1.1381000000e-03 -1.7910000000e-04 -1.3528000000e-03 -4.1241000000e-03 -6.8460000000e-04
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6489300000e-01 -5.1240600000e-01  6.6147300000e-01 -4.5402800000e-01 -6.5229600000e-01 -5.3347900000e-01  5.4045000000e-02 -3.3671160000e+00  8.3140000000e-02  5.2046900000e-01 -4.1326650000e+00  4.1872200000e-01  6.2509300000e-01 -3.0194030000e+00 -6.0186500000e-01
-ENERGY -1.526565520017e+02
-FORCES -2.0150000000e-03 -6.3614000000e-03  2.5607000000e-03 -5.1600000000e-05  3.7350000000e-03 -3.1512000000e-03  3.2137000000e-03  3.3249000000e-03 -1.0220000000e-04  4.1924000000e-03 -4.3343000000e-03 -1.4893000000e-03 -1.7529000000e-03  3.5913000000e-03 -1.5325000000e-03 -3.5866000000e-03  4.4600000000e-05  3.7145000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8223800000e-01  5.7594100000e-01  6.6213200000e-01  6.9865200000e-01 -4.6471200000e-01  4.6060700000e-01  1.8076300000e+00  1.4589930000e+00  1.4955870000e+00  1.1828430000e+00  2.0236580000e+00  1.0405860000e+00  2.4222490000e+00  2.0653070000e+00  1.9089370000e+00
-ENERGY -1.526553329165e+02
-FORCES  7.2436000000e-03  1.1988000000e-03  8.9117000000e-03  1.4192000000e-03  2.0937000000e-03 -3.7022000000e-03 -4.2571000000e-03 -1.2418000000e-03 -3.3869000000e-03 -1.4788000000e-03  2.9807000000e-03 -3.8437000000e-03  2.1390000000e-04 -2.4604000000e-03  4.8436000000e-03 -3.1408000000e-03 -2.5709000000e-03 -2.8224000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4826900000e-01  4.3292900000e-01  5.5547400000e-01  5.0204100000e-01  7.1736600000e-01 -3.8674500000e-01 -1.7434630000e+00  1.6442710000e+00 -1.5401210000e+00 -1.2682190000e+00  1.2282320000e+00 -2.2593480000e+00 -2.2228850000e+00  2.3625430000e+00 -1.9530030000e+00
-ENERGY -1.526559673354e+02
-FORCES -6.0271000000e-03  9.1300000000e-03 -1.1889000000e-03  3.8414000000e-03 -3.2394000000e-03  1.1072000000e-03  1.7540000000e-04 -3.7456000000e-03 -6.3000000000e-05  8.7160000000e-04 -2.7956000000e-03 -4.5360000000e-03 -1.5198000000e-03  4.1768000000e-03  2.3154000000e-03  2.6585000000e-03 -3.5262000000e-03  2.3652000000e-03
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9030700000e-01 -4.4336400000e-01 -6.0926100000e-01  5.8109000000e-01  4.7038400000e-01  5.9775000000e-01  1.8632110000e+00  1.6310130000e+00 -1.5878210000e+00  2.1946060000e+00  2.2439470000e+00 -2.2441140000e+00  1.1216430000e+00  1.2010680000e+00 -2.0137950000e+00
-ENERGY -1.526564084051e+02
-FORCES  8.3968000000e-03  2.8080000000e-03  1.1038000000e-03 -4.0175000000e-03  2.5708000000e-03 -8.6300000000e-04 -3.9010000000e-03 -3.2349000000e-03 -4.8010000000e-04 -3.7670000000e-03  1.2183000000e-03 -3.3659000000e-03 -2.3045000000e-03 -2.5973000000e-03  2.8182000000e-03  5.5931000000e-03 -7.6500000000e-04  7.8690000000e-04
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3044100000e-01 -3.7181100000e-01  7.0471400000e-01  6.9208800000e-01  4.8413400000e-01  4.5039900000e-01  1.8008730000e+00  1.8047290000e+00  1.5863640000e+00  2.3396420000e+00  1.3345560000e+00  2.2226790000e+00  2.4223800000e+00  2.3447000000e+00  1.0981090000e+00
-ENERGY -1.526610597555e+02
-FORCES  3.5028000000e-03  5.2629000000e-03  7.2599000000e-03  1.8510000000e-03  6.6580000000e-04 -2.0462000000e-03 -4.7968000000e-03 -7.2029000000e-03 -5.5886000000e-03  5.1361000000e-03  2.6324000000e-03  1.2647000000e-03 -3.0191000000e-03  1.8373000000e-03 -3.6876000000e-03 -2.6739000000e-03 -3.1954000000e-03  2.7978000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8687600000e-01  4.7620200000e-01 -6.7261800000e-01 -6.5392500000e-01 -5.5991600000e-01  4.1845900000e-01 -3.1771000000e-02 -2.6210600000e-01 -3.6738630000e+00  6.8279800000e-01 -6.1299800000e-01 -4.2053700000e+00 -3.7692900000e-01  4.6800200000e-01 -4.1877100000e+00
-ENERGY -1.526551304412e+02
-FORCES -4.4233000000e-03 -1.0034000000e-03 -3.4313000000e-03  1.0694000000e-03 -4.0720000000e-04  4.9327000000e-03  2.5204000000e-03  2.2032000000e-03 -1.2019000000e-03  3.0697000000e-03  4.4910000000e-04 -4.8117000000e-03 -3.3654000000e-03  1.5784000000e-03  1.5515000000e-03  1.1292000000e-03 -2.8200000000e-03  2.9607000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3753900000e-01 -5.0913100000e-01  3.3623500000e-01 -4.0243100000e-01 -5.6651700000e-01 -6.5828500000e-01  1.7604110000e+00  1.5898790000e+00  1.4486630000e+00  1.3132630000e+00  9.3270200000e-01  1.9819620000e+00  2.3690840000e+00  2.0153600000e+00  2.0525790000e+00
-ENERGY -1.526521671953e+02
-FORCES  4.1215000000e-03 -2.1655000000e-03 -1.8556000000e-03 -4.8404000000e-03  1.3649000000e-03  1.9078000000e-03  2.1773000000e-03  3.0588000000e-03  2.4482000000e-03 -2.8472000000e-03 -7.0650000000e-04  3.7716000000e-03  4.4676000000e-03  1.8050000000e-04 -2.9795000000e-03 -3.0788000000e-03 -1.7321000000e-03 -3.2924000000e-03
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5631600000e-01  6.7299100000e-01 -3.9220800000e-01  6.2633200000e-01  4.8797800000e-01  5.3461900000e-01  1.5238500000e+00 -1.9276750000e+00 -1.5136880000e+00  1.1653110000e+00 -1.3194420000e+00 -8.6736500000e-01  2.1435640000e+00 -2.4647080000e+00 -1.0199460000e+00
-ENERGY -1.526601757565e+02
-FORCES -1.9456000000e-03  4.6553000000e-03 -2.1993000000e-03  2.6876000000e-03 -2.1066000000e-03  3.4053000000e-03 -1.9846000000e-03 -3.8199000000e-03 -3.6384000000e-03 -4.8649000000e-03  4.5977000000e-03  5.9760000000e-03  8.3774000000e-03 -6.2402000000e-03 -3.0256000000e-03 -2.2700000000e-03  2.9138000000e-03 -5.1800000000e-04
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6534200000e-01 -6.3038900000e-01 -4.4635200000e-01  5.9096000000e-01  4.8886400000e-01  5.7272100000e-01  1.3110620000e+00  1.8684700000e+00  1.5910070000e+00  7.3597100000e-01  2.3803590000e+00  2.1597520000e+00  1.8762660000e+00  1.3851330000e+00  2.1936370000e+00
-ENERGY -1.526599500413e+02
-FORCES  6.7505000000e-03  8.1846000000e-03  5.2340000000e-03 -4.2460000000e-04  2.6790000000e-03  2.7305000000e-03 -2.7424000000e-03 -1.0035200000e-02 -4.3816000000e-03 -3.5666000000e-03  1.0773000000e-03  2.8905000000e-03  4.1178000000e-03 -2.5567000000e-03 -1.9028000000e-03 -4.1347000000e-03  6.5090000000e-04 -4.5706000000e-03
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6908200000e-01 -6.5124500000e-01  5.2160700000e-01 -6.9291800000e-01 -4.9577000000e-01 -4.3624400000e-01  1.4846420000e+00 -1.7624710000e+00 -1.5863870000e+00  1.1324250000e+00 -1.3078690000e+00 -2.3515740000e+00  1.9605910000e+00 -1.0866340000e+00 -1.1037400000e+00
-ENERGY -1.526540768533e+02
-FORCES  1.2437000000e-03 -1.2273200000e-02 -4.4539000000e-03  1.1840000000e-03  4.1918000000e-03 -1.1592000000e-03  8.2640000000e-04  3.7570000000e-03  1.2295000000e-03 -3.6857000000e-03  1.2064600000e-02  1.6053000000e-03  6.1140000000e-04 -3.1487000000e-03  1.8972000000e-03 -1.8000000000e-04 -4.5915000000e-03  8.8110000000e-04
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8125000000e-01 -5.2898500000e-01  4.1509600000e-01  4.7859500000e-01  6.1098100000e-01 -5.6025100000e-01  1.6563030000e+00  1.7605500000e+00 -1.7693890000e+00  2.3595100000e+00  1.2259800000e+00 -2.1381250000e+00  2.1063120000e+00  2.4073940000e+00 -1.2259590000e+00
-ENERGY -1.526608690966e+02
-FORCES  6.7695000000e-03  4.3309000000e-03 -4.9331000000e-03 -1.7049000000e-03  1.7808000000e-03 -1.5045000000e-03 -5.0732000000e-03 -6.2061000000e-03  7.1957000000e-03  5.5041000000e-03  1.8631000000e-03 -1.4119000000e-03 -3.3737000000e-03  2.5462000000e-03  2.9752000000e-03 -2.1217000000e-03 -4.3149000000e-03 -2.3214000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7642900000e-01  3.4154400000e-01  5.8482700000e-01 -4.6671100000e-01 -5.9895000000e-01 -5.8281300000e-01 -1.7174010000e+00  1.8765790000e+00 -1.8390280000e+00 -1.1094040000e+00  1.3425510000e+00 -2.3502870000e+00 -2.2477330000e+00  1.2417940000e+00 -1.3573360000e+00
-ENERGY -1.526514968680e+02
-FORCES -5.0232000000e-03  1.6404000000e-03  3.6180000000e-04  1.9882000000e-03 -2.7263000000e-03 -2.5782000000e-03  1.0725000000e-03  3.7260000000e-03  9.4840000000e-04  4.1481000000e-03 -5.6864000000e-03  1.4378000000e-03 -4.0171000000e-03  1.4736000000e-03  5.7040000000e-04  1.8314000000e-03  1.5728000000e-03 -7.4020000000e-04
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9281900000e-01  4.9301500000e-01 -6.5597100000e-01 -6.7996500000e-01 -4.5152100000e-01 -5.0000800000e-01  1.3544880000e+00 -1.5333620000e+00 -1.7740230000e+00  1.9344850000e+00 -2.2387790000e+00 -2.0607680000e+00  8.2774600000e-01 -1.9241940000e+00 -1.0768680000e+00
-ENERGY -1.526555321346e+02
-FORCES  4.6229000000e-03 -5.4320000000e-04 -1.0600000000e-02 -3.4944000000e-03  6.1250000000e-04  4.2528000000e-03  3.8953000000e-03 -2.0702000000e-03  2.9385000000e-03 -1.5998000000e-03 -4.7780000000e-04  6.5706000000e-03 -2.7289000000e-03  2.9870000000e-03  2.8690000000e-03 -6.9510000000e-04 -5.0830000000e-04 -6.0309000000e-03
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9137000000e-01 -5.0314700000e-01 -4.3021200000e-01 -4.6216000000e-01 -6.4067300000e-01  5.4053500000e-01  1.5330740000e+00  1.8018340000e+00  1.6981950000e+00  1.7849340000e+00  1.2314880000e+00  2.4244890000e+00  1.0564870000e+00  1.2290320000e+00  1.0973660000e+00
-ENERGY -1.526605348538e+02
-FORCES -1.0848000000e-03 -5.0309000000e-03 -4.9440000000e-04 -3.0139000000e-03  3.2296000000e-03  4.0206000000e-03  3.5021000000e-03  3.0848000000e-03 -2.4603000000e-03 -5.9961000000e-03 -7.7261000000e-03 -4.4545000000e-03 -1.0718000000e-03  1.0989000000e-03 -2.5370000000e-03  7.6646000000e-03  5.3436000000e-03  5.9256000000e-03
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9196000000e-01 -3.8044500000e-01 -6.4890400000e-01 -2.9099200000e-01 -7.4526300000e-01  5.2548900000e-01 -1.9049500000e+00  1.7325890000e+00  1.8943770000e+00 -1.2453780000e+00  1.1033130000e+00  2.1862830000e+00 -2.4315120000e+00  1.2500930000e+00  1.2570700000e+00
-ENERGY -1.526538756327e+02
-FORCES  2.6753000000e-03 -4.5437000000e-03 -2.0059000000e-03 -2.8784000000e-03  1.7298000000e-03  2.9341000000e-03  1.2860000000e-04  4.8125000000e-03 -8.8890000000e-04  3.4712000000e-03 -4.4065000000e-03 -4.8857000000e-03 -3.7992000000e-03  9.7800000000e-04  1.0049000000e-03  4.0250000000e-04  1.4299000000e-03  3.8415000000e-03
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1212800000e-01 -7.8540100000e-01 -4.4939200000e-01  7.4773300000e-01  2.9097300000e-01  5.2198000000e-01  1.5874730000e+00  1.6367680000e+00 -1.4314170000e+00  2.0900250000e+00  1.4032170000e+00 -6.5095000000e-01  1.0241350000e+00  8.7925100000e-01 -1.5896920000e+00
-ENERGY -1.526472321233e+02
-FORCES  7.8452000000e-03  4.6011000000e-03 -7.2750000000e-04  1.1410000000e-04  7.6550000000e-03 -1.4803000000e-03  5.7200000000e-05 -4.4070000000e-04 -4.4671000000e-03 -1.0240200000e-02 -9.4697000000e-03  9.0724000000e-03 -2.5901000000e-03 -8.0490000000e-04  4.9450000000e-04  4.8137000000e-03 -1.5409000000e-03 -2.8920000000e-03
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5166800000e-01  5.5456000000e-01  6.9643700000e-01  5.3869800000e-01 -6.4613100000e-01  4.5667400000e-01  1.5724860000e+00  1.7044380000e+00 -1.7121850000e+00  2.1686540000e+00  1.2151410000e+00 -2.2791100000e+00  1.1368670000e+00  1.0337440000e+00 -1.1862210000e+00
-ENERGY -1.526613842702e+02
-FORCES -7.6370000000e-04  7.7690000000e-04  5.1673000000e-03  2.2499000000e-03 -3.5567000000e-03 -3.1664000000e-03 -1.9473000000e-03  3.9578000000e-03 -2.9113000000e-03 -5.1776000000e-03 -7.8606000000e-03  4.1284000000e-03 -2.0235000000e-03  5.0750000000e-04  2.6043000000e-03  7.6622000000e-03  6.1751000000e-03 -5.8223000000e-03
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9025000000e-01 -5.3857300000e-01 -6.2114800000e-01  6.4671300000e-01  6.1396800000e-01  3.4790400000e-01 -1.4850310000e+00  1.8108250000e+00 -1.6182850000e+00 -1.0444780000e+00  1.0616650000e+00 -1.2171570000e+00 -2.1373150000e+00  1.4218950000e+00 -2.2009440000e+00
-ENERGY -1.526607790696e+02
-FORCES  5.1727000000e-03  1.6612000000e-03  1.4295000000e-03 -4.0126000000e-03  4.2129000000e-03  1.7544000000e-03 -3.2172000000e-03 -3.7789000000e-03 -2.5940000000e-03  2.9826000000e-03 -8.4381000000e-03  6.0213000000e-03 -3.8374000000e-03  6.4585000000e-03 -8.7498000000e-03  2.9119000000e-03 -1.1560000000e-04  2.1387000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5202000000e-01 -6.6616700000e-01  4.0954500000e-01  5.9231400000e-01  2.8243200000e-01  6.9687100000e-01  1.5240680000e+00 -1.6655310000e+00 -1.7714870000e+00  9.7265000000e-01 -1.1318090000e+00 -1.1993770000e+00  9.0547300000e-01 -2.1896540000e+00 -2.2802770000e+00
-ENERGY -1.526608636719e+02
-FORCES  6.4280000000e-04  1.1290000000e-04  5.2453000000e-03  4.1506000000e-03  2.3325000000e-03 -3.6715000000e-03 -3.4221000000e-03 -2.2264000000e-03 -3.6488000000e-03 -7.7193000000e-03  6.8204000000e-03  4.5804000000e-03  5.2927000000e-03 -8.7823000000e-03 -5.0977000000e-03  1.0553000000e-03  1.7429000000e-03  2.5923000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3070200000e-01 -5.1664500000e-01  6.0635400000e-01  5.1328600000e-01  5.7887200000e-01  5.6362800000e-01 -1.8757050000e+00  1.7713030000e+00  1.6727780000e+00 -2.3287860000e+00  2.3165770000e+00  2.3159160000e+00 -1.3042910000e+00  1.2085370000e+00  2.1952830000e+00
-ENERGY -1.526512439467e+02
-FORCES -2.7583000000e-03  2.8741000000e-03  3.8324000000e-03  3.2474000000e-03  2.1179000000e-03 -7.5320000000e-04 -1.7941000000e-03 -3.5558000000e-03 -7.8620000000e-04  6.1500000000e-05  1.3020000000e-04  4.3437000000e-03  2.3158000000e-03 -2.5490000000e-03 -3.4788000000e-03 -1.0723000000e-03  9.8260000000e-04 -3.1579000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0188100000e-01 -4.3021500000e-01  6.9228800000e-01  5.8744500000e-01  5.9612900000e-01  4.6451100000e-01  1.6290260000e+00  1.5912330000e+00 -1.4532620000e+00  2.0407970000e+00  1.9784710000e+00 -2.2257410000e+00  9.3137900000e-01  1.0382310000e+00 -1.8049840000e+00
-ENERGY -1.526601893845e+02
-FORCES  3.3604000000e-03  3.0941000000e-03  2.7303000000e-03  2.7671000000e-03  2.3287000000e-03 -1.8598000000e-03 -5.0784000000e-03 -4.5100000000e-03 -1.6080000000e-04 -3.8119000000e-03 -3.5984000000e-03 -2.0826000000e-03 -2.4736000000e-03 -2.3095000000e-03  2.1868000000e-03  5.2364000000e-03  4.9950000000e-03 -8.1390000000e-04
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9367600000e-01 -6.2947900000e-01 -6.5859100000e-01 -7.1935200000e-01  4.7026300000e-01 -4.2144700000e-01  1.4917080000e+00 -1.5279170000e+00 -1.8715540000e+00  2.1515390000e+00 -1.9636060000e+00 -1.3320820000e+00  1.9943810000e+00 -9.4912600000e-01 -2.4447490000e+00
-ENERGY -1.526613462545e+02
-FORCES  3.2578000000e-03 -5.6122000000e-03 -8.9989000000e-03 -5.5812000000e-03  4.9139000000e-03  7.8026000000e-03  2.8305000000e-03 -1.5306000000e-03  3.0700000000e-04  4.8324000000e-03  2.9579000000e-03  1.2342000000e-03 -3.3418000000e-03  2.6372000000e-03 -2.8716000000e-03 -1.9976000000e-03 -3.3663000000e-03  2.5267000000e-03
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6672100000e-01  5.5792000000e-01  6.2219700000e-01 -6.8664800000e-01 -5.1872700000e-01 -4.1912900000e-01  1.7124710000e+00 -1.6425480000e+00  1.8172910000e+00  1.2275480000e+00 -9.6665600000e-01  1.3437390000e+00  2.3712090000e+00 -1.1599270000e+00  2.3166630000e+00
-ENERGY -1.526606993684e+02
-FORCES -6.3013000000e-03 -8.3010000000e-04 -2.1515000000e-03  3.7406000000e-03 -3.8542000000e-03 -1.8621000000e-03  2.6720000000e-03  3.5419000000e-03  2.1069000000e-03 -2.2005000000e-03  5.9868000000e-03 -5.0465000000e-03  5.0066000000e-03 -4.1343000000e-03  8.8227000000e-03 -2.9174000000e-03 -7.1010000000e-04 -1.8695000000e-03
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2905200000e-01  3.6777100000e-01 -7.0787000000e-01 -5.5601300000e-01 -6.7483200000e-01  3.8946600000e-01 -3.3270110000e+00  1.5832900000e-01 -4.2034000000e-02 -3.8086290000e+00  7.2997900000e-01 -6.3994200000e-01 -4.0005360000e+00 -3.8982400000e-01  3.6061200000e-01
-ENERGY -1.526569860361e+02
-FORCES -8.4857000000e-03 -7.2720000000e-04 -7.5780000000e-04  4.3655000000e-03 -3.5580000000e-04  8.0440000000e-04  4.4615000000e-03  6.8470000000e-04 -4.7620000000e-04 -5.8640000000e-03  7.5560000000e-04 -1.4700000000e-04  2.4127000000e-03 -2.6402000000e-03  2.3490000000e-03  3.1100000000e-03  2.2829000000e-03 -1.7725000000e-03
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0143600000e-01 -7.0045400000e-01  6.2050000000e-01  8.5490500000e-01  3.0175500000e-01 -3.0710500000e-01  1.5278370000e+00  1.8621390000e+00  1.7881520000e+00  1.0081170000e+00  1.3457190000e+00  2.4041330000e+00  2.1650610000e+00  2.3197870000e+00  2.3365470000e+00
-ENERGY -1.526554259323e+02
-FORCES  7.1256000000e-03  1.7114000000e-03  1.7349000000e-03 -1.4787000000e-03  2.9777000000e-03 -1.0191000000e-03 -4.1622000000e-03 -3.6813000000e-03 -1.2494000000e-03 -2.4617000000e-03 -1.1700000000e-04  4.7149000000e-03  3.9841000000e-03  1.5255000000e-03 -1.4099000000e-03 -3.0071000000e-03 -2.4163000000e-03 -2.7714000000e-03
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6772200000e-01  5.4683800000e-01 -6.3121800000e-01 -5.9267000000e-01 -5.2924800000e-01 -5.3373300000e-01  1.6607480000e+00  1.7323390000e+00 -1.5360250000e+00  2.2170450000e+00  1.2838270000e+00 -2.1728950000e+00  1.0883310000e+00  2.2870570000e+00 -2.0659860000e+00
-ENERGY -1.526604273909e+02
-FORCES  5.8169000000e-03  5.6602000000e-03 -6.8524000000e-03 -8.4657000000e-03 -6.8473000000e-03  4.1123000000e-03  2.5752000000e-03  2.5124000000e-03  5.1960000000e-04  1.9483000000e-03  1.1884000000e-03 -3.5043000000e-03 -4.0023000000e-03  2.2722000000e-03  2.8804000000e-03  2.1275000000e-03 -4.7859000000e-03  2.8444000000e-03
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7633700000e-01  3.6759600000e-01  6.7003100000e-01  3.6350600000e-01  7.6326400000e-01 -4.4891400000e-01 -1.5718060000e+00 -1.4476010000e+00  1.8201720000e+00 -1.0124410000e+00 -1.8392280000e+00  1.1493730000e+00 -2.0585200000e+00 -7.6498900000e-01  1.3582390000e+00
-ENERGY -1.526548860847e+02
-FORCES -2.3020000000e-04  2.4840000000e-03  3.7701000000e-03 -2.0536000000e-03 -2.1212000000e-03 -5.1173000000e-03 -2.3966000000e-03 -2.8436000000e-03  3.1591000000e-03  3.2616000000e-03 -1.7610000000e-04 -8.9396000000e-03 -3.5961000000e-03  4.5250000000e-04  4.6269000000e-03  5.0149000000e-03  2.2044000000e-03  2.5009000000e-03
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5591300000e-01  5.5195500000e-01 -6.3539000000e-01 -6.7115400000e-01 -6.0334900000e-01  3.1898900000e-01  1.6830680000e+00 -1.7470600000e+00  1.6610700000e+00  1.0969360000e+00 -1.1825670000e+00  2.1650830000e+00  1.0976900000e+00 -2.2954310000e+00  1.1387160000e+00
-ENERGY -1.526513758472e+02
-FORCES -3.7305000000e-03 -2.5150000000e-04 -1.6035000000e-03  2.7436000000e-03 -2.8369000000e-03  3.0047000000e-03  4.3277000000e-03  1.3762000000e-03  2.0230000000e-04 -5.4243000000e-03  4.6935000000e-03 -4.1783000000e-03  1.2586000000e-03 -4.0429000000e-03 -3.8820000000e-04  8.2490000000e-04  1.0617000000e-03  2.9630000000e-03
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6533000000e-01  6.0887400000e-01 -4.7529600000e-01 -5.7525700000e-01 -4.0446600000e-01  6.4939900000e-01 -1.7374700000e+00  1.7346670000e+00  1.8560770000e+00 -1.2740890000e+00  1.3649950000e+00  2.6076430000e+00 -2.2948610000e+00  1.0220110000e+00  1.5435560000e+00
-ENERGY -1.526518163929e+02
-FORCES -5.9395000000e-03  5.8179000000e-03  3.0473000000e-03  1.7477000000e-03 -4.3227000000e-03 -7.0900000000e-05  7.4750000000e-04  2.1330000000e-04 -1.2649000000e-03  2.1017000000e-03 -4.1227000000e-03  2.1902000000e-03 -2.9416000000e-03  8.1320000000e-04 -3.3455000000e-03  4.2841000000e-03  1.6010000000e-03 -5.5620000000e-04
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9261700000e-01  6.2350800000e-01  2.1852100000e-01  5.7442700000e-01  4.7901900000e-01 -5.9733300000e-01 -1.9193230000e+00 -1.3416570000e+00  1.7663110000e+00 -1.2406150000e+00 -1.6195080000e+00  1.1511810000e+00 -2.3192440000e+00 -2.1576440000e+00  2.0670760000e+00
-ENERGY -1.526600065697e+02
-FORCES -9.4020000000e-04  5.1533000000e-03 -5.8850000000e-04  4.4885000000e-03 -2.4177000000e-03 -2.7079000000e-03 -2.7547000000e-03 -1.1081000000e-03  2.5827000000e-03  3.3405000000e-03 -3.4326000000e-03 -2.3538000000e-03 -6.2719000000e-03 -8.3280000000e-04  4.6015000000e-03  2.1379000000e-03  2.6380000000e-03 -1.5340000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0283500000e-01 -6.2564800000e-01  6.9545200000e-01  6.5099100000e-01  5.8572200000e-01  3.8648800000e-01  1.7304900000e+00 -1.4957840000e+00  1.6147580000e+00  2.2423120000e+00 -2.0298810000e+00  2.2222190000e+00  2.3352590000e+00 -8.1102900000e-01  1.3291040000e+00
-ENERGY -1.526551402603e+02
-FORCES  4.8536000000e-03 -5.3778000000e-03  8.6009000000e-03 -3.2284000000e-03  3.8288000000e-03 -3.6619000000e-03  3.9190000000e-04 -1.4645000000e-03 -2.0618000000e-03  3.8607000000e-03  1.5440000000e-03 -2.0185000000e-03 -2.3663000000e-03  2.6725000000e-03 -3.3885000000e-03 -3.5116000000e-03 -1.2031000000e-03  2.5297000000e-03
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0831600000e-01  7.6258900000e-01  4.8952200000e-01 -7.9401900000e-01 -4.9874100000e-01 -1.9241300000e-01 -1.6205720000e+00  1.8849580000e+00  1.6106530000e+00 -2.3676860000e+00  1.4415500000e+00  2.0124520000e+00 -1.1515220000e+00  2.2791250000e+00  2.3460830000e+00
-ENERGY -1.526602627767e+02
-FORCES -8.5492000000e-03  5.6798000000e-03  4.3743000000e-03  6.8282000000e-03 -4.8214000000e-03 -3.9612000000e-03  2.4115000000e-03  4.4290000000e-04  4.0330000000e-04 -2.2028000000e-03 -9.9910000000e-04  4.8116000000e-03  3.5560000000e-03  2.2869000000e-03 -1.7337000000e-03 -2.0437000000e-03 -2.5890000000e-03 -3.8942000000e-03
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1863300000e-01  4.5489400000e-01 -5.7148700000e-01  4.5200700000e-01  7.0053900000e-01  4.7028400000e-01 -1.6264620000e+00 -1.5922170000e+00 -1.7706190000e+00 -1.0970830000e+00 -2.2633820000e+00 -1.3398910000e+00 -2.1799550000e+00 -2.0786190000e+00 -2.3815940000e+00
-ENERGY -1.526580575256e+02
-FORCES -2.9779000000e-03  3.4505000000e-03 -2.7157000000e-03  4.5426000000e-03  1.2740000000e-03  4.6107000000e-03 -2.1935000000e-03 -2.6081000000e-03 -2.2812000000e-03  2.0381000000e-03 -4.9687000000e-03  1.3822000000e-03 -3.9206000000e-03  9.6150000000e-04 -3.6977000000e-03  2.5114000000e-03  1.8907000000e-03  2.7017000000e-03
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0118800000e-01 -4.8512600000e-01 -5.6520500000e-01 -4.7841600000e-01  5.7570500000e-01 -5.9658400000e-01 -1.5605290000e+00  1.9169310000e+00 -1.5883800000e+00 -9.6103000000e-01  2.2345360000e+00 -2.2636280000e+00 -2.0526490000e+00  1.2154880000e+00 -2.0150260000e+00
-ENERGY -1.526593150292e+02
-FORCES -3.3479000000e-03  6.3500000000e-03 -5.7956000000e-03 -2.7185000000e-03  2.4192000000e-03  8.0130000000e-04  5.1225000000e-03 -9.6942000000e-03  2.7829000000e-03 -1.9972000000e-03  2.0039000000e-03 -5.2478000000e-03 -2.5025000000e-03 -3.4031000000e-03  3.9570000000e-03  5.4436000000e-03  2.3242000000e-03  3.5022000000e-03
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6204300000e-01 -5.4086900000e-01  5.5479700000e-01  6.0856200000e-01  5.4147100000e-01 -5.0268700000e-01 -1.7316420000e+00  1.7168280000e+00  1.9475080000e+00 -1.0065690000e+00  1.1863020000e+00  1.6172890000e+00 -1.9935370000e+00  2.2562790000e+00  1.2014280000e+00
-ENERGY -1.526591316988e+02
-FORCES  5.4771000000e-03 -2.2652000000e-03 -2.8002000000e-03 -3.2925000000e-03  4.1234000000e-03 -1.7327000000e-03 -3.3286000000e-03 -2.1931000000e-03  3.0211000000e-03  3.2689000000e-03 -3.3830000000e-03 -8.4479000000e-03 -2.6194000000e-03  4.2250000000e-03  7.0241000000e-03  4.9450000000e-04 -5.0720000000e-04  2.9357000000e-03
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3989900000e-01  5.6828100000e-01 -6.9120000000e-01 -7.6966000000e-01 -4.1608900000e-01 -3.8823300000e-01 -1.8796840000e+00 -1.4510130000e+00  1.6292490000e+00 -1.2911400000e+00 -2.0140850000e+00  1.1264590000e+00 -2.3234170000e+00 -2.0463000000e+00  2.2333740000e+00
-ENERGY -1.526537478152e+02
-FORCES -4.1680000000e-03  1.6682000000e-03 -2.7344000000e-03 -1.7999000000e-03 -2.0630000000e-03  3.3329000000e-03  5.5947000000e-03 -1.3893000000e-03  6.4510000000e-04  2.9226000000e-03 -3.9667000000e-03  1.6404000000e-03 -4.9187000000e-03  2.9093000000e-03 -6.4660000000e-04  2.3694000000e-03  2.8415000000e-03 -2.2374000000e-03
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7776100000e-01  4.5861000000e-01 -6.1000100000e-01  3.9970000000e-01 -6.9423700000e-01 -5.2393300000e-01  1.7689900000e+00 -1.5705760000e+00  1.7930800000e+00  1.5223600000e+00 -8.6876100000e-01  2.3954600000e+00  2.4044920000e+00 -1.1670910000e+00  1.2018370000e+00
-ENERGY -1.526551011122e+02
-FORCES -3.3670000000e-04 -3.9903000000e-03 -3.4770000000e-03  2.6607000000e-03 -2.3484000000e-03  3.1141000000e-03 -9.2280000000e-04  4.8222000000e-03  1.0270000000e-04 -1.8543000000e-03  8.1379000000e-03 -2.9990000000e-04  2.7493000000e-03 -3.7459000000e-03 -3.4460000000e-04 -2.2961000000e-03 -2.8755000000e-03  9.0470000000e-04
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1967500000e-01  4.7144400000e-01  5.5675400000e-01  4.0683600000e-01 -6.4097800000e-01  5.8297800000e-01  1.5148950000e+00 -1.6470180000e+00 -1.9044050000e+00  1.0402070000e+00 -2.3278380000e+00 -1.4275530000e+00  2.0975080000e+00 -1.2586820000e+00 -1.2517260000e+00
-ENERGY -1.526505576300e+02
-FORCES -6.7900000000e-04 -1.0272000000e-03  3.6106000000e-03  2.7997000000e-03 -2.4907000000e-03 -3.3946000000e-03 -2.6220000000e-04  1.8056000000e-03 -3.5398000000e-03 -3.1265000000e-03  2.9548000000e-03  5.6987000000e-03  2.7725000000e-03  1.9584000000e-03 -9.1570000000e-04 -1.5045000000e-03 -3.2009000000e-03 -1.4591000000e-03
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4629300000e-01 -6.9464300000e-01 -4.8427900000e-01  5.2294600000e-01  1.1336200000e-01  7.9366800000e-01  1.6738170000e+00  1.5020660000e+00 -1.6910780000e+00  2.2578580000e+00  8.7653800000e-01 -1.2623100000e+00  1.0094850000e+00  9.5859500000e-01 -2.1147930000e+00
-ENERGY -1.526483585760e+02
-FORCES  7.3821000000e-03  3.3820000000e-03 -2.7030000000e-04 -4.0870000000e-04  4.6770000000e-03 -6.5590000000e-04 -1.7727000000e-03 -1.6078000000e-03 -3.3663000000e-03 -7.8053000000e-03 -7.6041000000e-03  6.4289000000e-03 -1.3597000000e-03  1.0308000000e-03 -9.8250000000e-04  3.9643000000e-03  1.2210000000e-04 -1.1539000000e-03
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9770500000e-01  4.8634000000e-01  6.5726400000e-01  7.2830300000e-01 -3.8535900000e-01  4.8714000000e-01 -1.6310930000e+00 -1.4792990000e+00  1.8231110000e+00 -1.1156480000e+00 -2.0802200000e+00  1.2851120000e+00 -2.0878740000e+00 -9.2352500000e-01  1.1916850000e+00
-ENERGY -1.526545584223e+02
-FORCES -4.5910000000e-04 -1.9000000000e-03  1.0771100000e-02 -1.2467000000e-03 -1.3957000000e-03 -4.4174000000e-03 -2.3318000000e-03  3.1060000000e-04 -3.2996000000e-03  3.5515000000e-03  9.9590000000e-04 -1.1405400000e-02 -9.1080000000e-04  5.1240000000e-04  4.1647000000e-03  1.3968000000e-03  1.4767000000e-03  4.1866000000e-03
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7064900000e-01  4.6817200000e-01 -3.2116500000e-01 -3.0595300000e-01 -4.5675400000e-01  7.8358200000e-01 -1.6503190000e+00 -1.4715310000e+00  1.8217550000e+00 -2.1982520000e+00 -9.8170100000e-01  2.4349980000e+00 -1.1968770000e+00 -2.1150250000e+00  2.3663070000e+00
-ENERGY -1.526598314340e+02
-FORCES -1.0079700000e-02 -5.1808000000e-03  6.1645000000e-03  2.5267000000e-03 -1.6120000000e-04  5.0010000000e-04  7.3911000000e-03  4.0842000000e-03 -3.6405000000e-03 -1.2632000000e-03 -8.5750000000e-04  3.1182000000e-03  3.0867000000e-03 -2.3879000000e-03 -3.3248000000e-03 -1.6616000000e-03  4.5033000000e-03 -2.8174000000e-03
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5645800000e-01 -6.2242800000e-01 -3.1285500000e-01 -6.5644200000e-01 -5.4277200000e-01  4.3670800000e-01 -5.4770000000e-02 -2.3701900000e-01  3.2269840000e+00 -6.3771500000e-01  2.3962300000e-01  2.6360370000e+00  4.5606000000e-01  4.4547700000e-01  3.6622800000e+00
-ENERGY -1.526549043628e+02
-FORCES  2.2734000000e-03 -6.7834000000e-03  1.7922000000e-03 -2.8356000000e-03  2.7156000000e-03  6.4600000000e-05  1.1333000000e-03  4.4564000000e-03 -6.0410000000e-04  1.6231000000e-03  6.6499000000e-03 -2.5930000000e-03 -1.1360000000e-04 -4.1402000000e-03  2.2792000000e-03 -2.0806000000e-03 -2.8982000000e-03 -9.3890000000e-04
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1383200000e-01 -7.2357700000e-01  5.4238200000e-01  5.2634700000e-01  5.3471200000e-01  5.9436800000e-01  1.7571990000e+00 -1.4791640000e+00  1.9128340000e+00  1.2381420000e+00 -1.8962470000e+00  1.2251900000e+00  2.4135180000e+00 -9.6676100000e-01  1.4406900000e+00
-ENERGY -1.526540454607e+02
-FORCES  1.6352000000e-03 -3.0960000000e-04  9.5975000000e-03  2.9867000000e-03 -1.4563000000e-03 -3.7803000000e-03 -5.7270000000e-04 -9.4050000000e-04 -4.4622000000e-03  1.3006000000e-03  8.2640000000e-04 -8.6276000000e-03 -2.3647000000e-03  2.5279000000e-03  3.9645000000e-03 -2.9852000000e-03 -6.4790000000e-04  3.3081000000e-03
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5829200000e-01  5.6926300000e-01  6.1817500000e-01  5.7870000000e-01 -5.3139300000e-01  5.4677200000e-01  1.6522400000e+00 -1.5534760000e+00  1.5774910000e+00  9.7542300000e-01 -2.0695660000e+00  2.0154420000e+00  2.2100290000e+00 -1.2369010000e+00  2.2880420000e+00
-ENERGY -1.526598921962e+02
-FORCES  8.8262000000e-03 -5.3350000000e-03  8.9965000000e-03  1.6790000000e-03 -2.3339000000e-03 -9.2850000000e-04 -9.0350000000e-03  3.2884000000e-03 -4.6154000000e-03 -5.7310000000e-04  1.6107000000e-03  2.0268000000e-03  2.8145000000e-03  5.1373000000e-03 -2.7390000000e-03 -3.7116000000e-03 -2.3674000000e-03 -2.7405000000e-03
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3192500000e-01 -7.5718900000e-01  4.8241400000e-01  7.9731000000e-01  2.5101100000e-01  4.6639300000e-01  1.5999890000e+00 -1.8303830000e+00 -1.5423660000e+00  1.3486600000e+00 -1.2507680000e+00 -8.2326100000e-01  1.9965410000e+00 -2.5881180000e+00 -1.1124650000e+00
-ENERGY -1.526544017702e+02
-FORCES -2.0484000000e-03 -6.8650000000e-04  3.5474000000e-03  4.4727000000e-03  3.0956000000e-03 -3.4020000000e-03 -2.1917000000e-03 -5.6967000000e-03 -5.6994000000e-03 -4.3151000000e-03  4.8554000000e-03  4.6903000000e-03  6.8804000000e-03 -5.4427000000e-03  8.9130000000e-04 -2.7979000000e-03  3.8750000000e-03 -2.7600000000e-05
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5590700000e-01  6.7660400000e-01  3.8653200000e-01 -5.7150000000e-01 -4.5621200000e-01 -6.1764900000e-01  1.6851340000e+00 -1.8125640000e+00 -1.5088780000e+00  2.3381830000e+00 -2.1588000000e+00 -2.1170560000e+00  1.3608100000e+00 -1.0175750000e+00 -1.9320080000e+00
-ENERGY -1.526538086703e+02
-FORCES -4.7321000000e-03 -1.3449000000e-03  4.8640000000e-04  2.8047000000e-03 -3.2771000000e-03 -1.5442000000e-03  3.4771000000e-03  4.0538000000e-03  7.3180000000e-04  1.7100000000e-03  4.1936000000e-03 -2.1442000000e-03 -2.5629000000e-03  1.8565000000e-03  3.0078000000e-03 -6.9680000000e-04 -5.4818000000e-03 -5.3770000000e-04
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2461100000e-01 -3.7183800000e-01  5.0289900000e-01  3.2484100000e-01  7.1856200000e-01  5.4256700000e-01 -1.8977820000e+00 -1.3883420000e+00 -1.6513560000e+00 -2.5354240000e+00 -9.6512200000e-01 -1.0764390000e+00 -1.4442950000e+00 -2.0145130000e+00 -1.0870070000e+00
-ENERGY -1.526493060017e+02
-FORCES -3.1125000000e-03  5.2000000000e-04  1.9672000000e-03  1.9115000000e-03 -4.6570000000e-04 -2.0403000000e-03 -2.2803000000e-03 -3.0425000000e-03 -3.4152000000e-03  3.6812000000e-03  2.2892000000e-03  4.7163000000e-03  3.0939000000e-03 -2.0111000000e-03 -6.4370000000e-04 -3.2938000000e-03  2.7102000000e-03 -5.8430000000e-04
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5571400000e-01 -6.1878400000e-01  6.3781300000e-01 -6.2395600000e-01 -5.1486900000e-01 -5.1168400000e-01  1.4511660000e+00 -1.6677970000e+00  1.7803850000e+00  2.0718660000e+00 -2.3396280000e+00  1.4982380000e+00  1.9825010000e+00 -1.0413520000e+00  2.2717940000e+00
-ENERGY -1.526615332226e+02
-FORCES  3.6219000000e-03 -8.8435000000e-03  5.8266000000e-03 -5.3726000000e-03  7.5444000000e-03 -5.1551000000e-03  2.3691000000e-03  7.8060000000e-04  1.6242000000e-03  4.3062000000e-03  8.0820000000e-04 -1.5784000000e-03 -2.3344000000e-03  3.1945000000e-03  2.3200000000e-03 -2.5902000000e-03 -3.4842000000e-03 -3.0374000000e-03
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6077700000e-01  4.7819700000e-01 -3.2981400000e-01  5.1782000000e-01  6.6068800000e-01  4.5998500000e-01 -3.3690150000e+00 -1.1627500000e-01 -8.4050000000e-02 -2.8168250000e+00 -6.4754100000e-01 -6.5770100000e-01 -2.7788160000e+00  1.8256800000e-01  6.0775100000e-01
-ENERGY -1.526550938158e+02
-FORCES  1.1660000000e-03  5.5293000000e-03 -3.6860000000e-04  1.6929000000e-03 -4.2965000000e-03  3.1815000000e-03 -2.7852000000e-03 -2.9258000000e-03 -1.8125000000e-03  3.7175000000e-03 -4.3920000000e-03  2.3065000000e-03 -1.9396000000e-03  4.7977000000e-03  1.6667000000e-03 -1.8516000000e-03  1.2872000000e-03 -4.9737000000e-03
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1838500000e-01  7.3923200000e-01 -3.1787400000e-01  6.1345300000e-01  3.8780500000e-01  6.2411100000e-01  3.2734330000e+00  1.2951100000e-01  3.3270600000e-01  3.7133430000e+00 -4.6693800000e-01 -2.7306600000e-01  3.9678890000e+00  7.0939600000e-01  6.4526900000e-01
-ENERGY -1.526568341592e+02
-FORCES  3.5500000000e-03  4.3448000000e-03  1.4594000000e-03  1.9589000000e-03 -2.6584000000e-03  1.1354000000e-03 -6.5417000000e-03 -6.5290000000e-04 -1.3550000000e-03  5.0285000000e-03 -1.8215000000e-03 -2.8767000000e-03 -5.6080000000e-04  2.9611000000e-03  2.9591000000e-03 -3.4350000000e-03 -2.1731000000e-03 -1.3222000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4914300000e-01  7.4936400000e-01  5.4093800000e-01  5.2863600000e-01 -5.4890100000e-01  5.7921000000e-01  1.5493410000e+00 -1.7150570000e+00  1.5269190000e+00  1.9787510000e+00 -2.1211720000e+00  7.7398500000e-01  1.0475980000e+00 -2.4244430000e+00  1.9284880000e+00
-ENERGY -1.526613355051e+02
-FORCES  7.2788000000e-03 -5.9645000000e-03  1.0197900000e-02  8.0810000000e-04 -2.7084000000e-03 -7.9310000000e-04 -5.0535000000e-03  5.1863000000e-03 -8.4107000000e-03 -1.6298000000e-03 -3.1743000000e-03 -2.2004000000e-03 -4.1863000000e-03  3.0421000000e-03  3.8028000000e-03  2.7828000000e-03  3.6188000000e-03 -2.5965000000e-03
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3655600000e-01  5.4621900000e-01  5.7444300000e-01  6.5753700000e-01  5.9838200000e-01 -3.5470500000e-01 -1.5772320000e+00  1.7028010000e+00  1.6739030000e+00 -2.2562880000e+00  1.9331650000e+00  1.0398310000e+00 -2.0061640000e+00  1.0926560000e+00  2.2738800000e+00
-ENERGY -1.526613352153e+02
-FORCES -3.4431000000e-03  9.5272000000e-03  7.1217000000e-03  3.1838000000e-03 -7.6887000000e-03 -7.1566000000e-03 -2.3326000000e-03 -1.4901000000e-03  7.5170000000e-04 -4.7167000000e-03 -4.7870000000e-04  1.0740000000e-03  4.7325000000e-03 -2.5423000000e-03  2.7731000000e-03  2.5760000000e-03  2.6726000000e-03 -4.5639000000e-03
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9386900000e-01 -6.6415100000e-01 -4.8086300000e-01  6.1285000000e-01  3.2354100000e-01  6.6027800000e-01  1.7205840000e+00  1.4969100000e+00 -1.6943990000e+00  1.2657620000e+00  2.0840970000e+00 -1.0905940000e+00  2.0796830000e+00  2.0755400000e+00 -2.3670560000e+00
-ENERGY -1.526549531363e+02
-FORCES  8.3497000000e-03 -9.9710000000e-04 -4.3983000000e-03 -3.3866000000e-03  1.8370000000e-04  3.7405000000e-03 -3.0411000000e-03  8.7820000000e-04 -2.4140000000e-03 -4.2998000000e-03  3.3960000000e-03  1.7194000000e-03  4.8566000000e-03 -6.4770000000e-04 -1.6447000000e-03 -2.4789000000e-03 -2.8130000000e-03  2.9972000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0875400000e-01 -3.9651800000e-01  5.0663000000e-01  4.2552600000e-01  6.9052400000e-01 -5.0826800000e-01 -1.6442950000e+00 -1.8327180000e+00  1.8384830000e+00 -2.1235250000e+00 -1.2683120000e+00  1.2318400000e+00 -2.3247180000e+00 -2.2473910000e+00  2.3688630000e+00
-ENERGY -1.526574849633e+02
-FORCES  5.4266000000e-03 -1.5660000000e-04  1.3497000000e-03 -1.5842000000e-03  3.1835000000e-03 -3.6085000000e-03 -1.7053000000e-03 -2.8954000000e-03  2.2672000000e-03 -4.1555000000e-03  2.1713000000e-03 -2.1104000000e-03 -5.9000000000e-04 -4.2465000000e-03  4.4017000000e-03  2.6083000000e-03  1.9437000000e-03 -2.2997000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3352400000e-01  5.0929600000e-01  5.0546700000e-01 -4.9129500000e-01 -3.0521700000e-01 -7.6269500000e-01 -1.3940440000e+00  1.5769420000e+00 -1.7554230000e+00 -1.9820150000e+00  1.3026040000e+00 -1.0516760000e+00 -9.6725900000e-01  2.3645870000e+00 -1.4182250000e+00
-ENERGY -1.526488556351e+02
-FORCES -7.4544000000e-03  7.2561000000e-03 -9.9989000000e-03  1.7700000000e-05 -6.4000000000e-06 -2.1158000000e-03 -4.2330000000e-04 -2.1196000000e-03  4.8956000000e-03  6.6515000000e-03 -1.0220000000e-04  8.8531000000e-03  4.6933000000e-03 -2.4193000000e-03 -4.7890000000e-04 -3.4847000000e-03 -2.6086000000e-03 -1.1550000000e-03
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8804600000e-01 -7.1750700000e-01  4.0401400000e-01  6.7555300000e-01  2.2153900000e-01  6.4092100000e-01 -1.6808210000e+00  1.8566410000e+00  1.5465860000e+00 -1.1930270000e+00  1.1161620000e+00  1.9071140000e+00 -1.0113410000e+00  2.4163670000e+00  1.1532220000e+00
-ENERGY -1.526505762704e+02
-FORCES -2.3226000000e-03 -1.2819000000e-03  3.5234000000e-03  2.6710000000e-03  3.9458000000e-03 -2.1840000000e-04 -5.0799000000e-03  1.0362000000e-03 -1.2657000000e-03  7.9971000000e-03 -4.2290000000e-03 -6.9253000000e-03 -9.9850000000e-04  7.2380000000e-04  1.5023000000e-03 -2.2670000000e-03 -1.9490000000e-04  3.3837000000e-03
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9169300000e-01  4.2421400000e-01 -3.3090200000e-01 -3.5635400000e-01 -4.6630600000e-01 -7.5617600000e-01 -1.6285360000e+00 -1.7398430000e+00 -1.5860370000e+00 -9.0609200000e-01 -2.0564050000e+00 -2.1283430000e+00 -2.0210730000e+00 -2.5333990000e+00 -1.2221480000e+00
-ENERGY -1.526577975813e+02
-FORCES -4.9911000000e-03 -3.6732000000e-03 -5.2279000000e-03 -3.3049000000e-03 -2.9154000000e-03 -3.9830000000e-04  9.0381000000e-03  4.5196000000e-03  1.2708000000e-03 -7.3560000000e-04 -5.4680000000e-03  2.9522000000e-03 -1.6630000000e-03  4.6038000000e-03  4.8015000000e-03  1.6565000000e-03  2.9332000000e-03 -3.3983000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6055600000e-01  5.9650600000e-01  3.5224800000e-01 -4.3355400000e-01 -4.2987700000e-01 -7.3720300000e-01  1.5152760000e+00  1.6467880000e+00  1.6651220000e+00  1.8528000000e+00  9.6515500000e-01  1.0840150000e+00  2.2922290000e+00  1.9969560000e+00  2.1009630000e+00
-ENERGY -1.526591174697e+02
-FORCES -4.4084000000e-03  3.2113000000e-03  1.0652000000e-03  1.1143000000e-03 -4.3377000000e-03 -3.5337000000e-03  1.5102000000e-03  2.1977000000e-03  3.1629000000e-03  2.0139000000e-03 -4.1252000000e-03 -3.2436000000e-03  2.3918000000e-03  5.1360000000e-03  4.9485000000e-03 -2.6218000000e-03 -2.0820000000e-03 -2.3992000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3940200000e-01 -7.0082800000e-01  5.5666700000e-01  5.1899200000e-01  5.4572300000e-01  5.9081800000e-01  1.7232000000e+00 -1.6737670000e+00 -1.4434190000e+00  1.2269070000e+00 -1.0580700000e+00 -9.0412100000e-01  2.3854750000e+00 -1.1344710000e+00 -1.8756030000e+00
-ENERGY -1.526602084000e+02
-FORCES -8.3000000000e-04 -9.6030000000e-04  3.8598000000e-03  4.0003000000e-03  3.5599000000e-03 -3.8769000000e-03 -1.4733000000e-03 -4.0631000000e-03 -4.0724000000e-03 -7.1018000000e-03  1.0362400000e-02  4.1908000000e-03  7.5060000000e-03 -8.1219000000e-03 -2.2268000000e-03 -2.1011000000e-03 -7.7700000000e-04  2.1256000000e-03
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2018200000e-01 -3.8190700000e-01 -7.7060100000e-01 -7.4081700000e-01  4.9431400000e-01 -3.5082200000e-01  1.5162040000e+00 -1.7380000000e+00  1.8034600000e+00  1.0151430000e+00 -1.1642190000e+00  2.3830670000e+00  2.0125490000e+00 -1.1402060000e+00  1.2444280000e+00
-ENERGY -1.526546797176e+02
-FORCES -9.6050000000e-04 -2.3992000000e-03 -4.3607000000e-03 -6.1220000000e-04  3.0059000000e-03  3.3680000000e-03  3.0472000000e-03 -2.7454000000e-03  2.0936000000e-03 -5.0793000000e-03  9.0827000000e-03 -2.7601000000e-03  3.0006000000e-03 -3.2987000000e-03  8.7520000000e-04  6.0430000000e-04 -3.6452000000e-03  7.8400000000e-04
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6491300000e-01 -6.3475400000e-01  2.6685200000e-01  4.6293500000e-01  2.1714800000e-01  8.0917800000e-01  1.4022360000e+00  1.4225770000e+00  2.1241350000e+00  2.1623640000e+00  1.1017760000e+00  2.6094430000e+00  1.7538750000e+00  2.1025860000e+00  1.5495320000e+00
-ENERGY -1.526617042436e+02
-FORCES  2.0682000000e-03  2.2389000000e-03  8.4782000000e-03  2.5743000000e-03  1.9610000000e-03 -5.2900000000e-05 -4.2545000000e-03 -5.1671000000e-03 -8.4750000000e-03  4.3966000000e-03  3.6236000000e-03 -5.7520000000e-04 -3.6797000000e-03  1.4531000000e-03 -2.7716000000e-03 -1.1048000000e-03 -4.1095000000e-03  3.3966000000e-03
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6168700000e-01 -4.4157000000e-01 -5.3237100000e-01 -4.7392500000e-01 -7.1068300000e-01  4.3192200000e-01  1.7022810000e+00  1.7076230000e+00  1.6723990000e+00  2.2849140000e+00  1.2860890000e+00  2.3041260000e+00  1.1951810000e+00  9.8812600000e-01  1.2963590000e+00
-ENERGY -1.526600823730e+02
-FORCES -1.6053000000e-03 -4.4239000000e-03 -3.5725000000e-03 -2.8468000000e-03  2.2367000000e-03  4.5855000000e-03  3.6891000000e-03  3.6995000000e-03 -1.5274000000e-03 -4.8758000000e-03 -6.0231000000e-03 -3.2211000000e-03 -2.5674000000e-03  2.3040000000e-04 -2.8098000000e-03  8.2062000000e-03  4.2804000000e-03  6.5454000000e-03
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1578700000e-01  5.3185100000e-01 -6.0607800000e-01 -5.5763100000e-01 -5.3490900000e-01 -5.6493600000e-01  1.8200880000e+00  1.9121050000e+00 -1.6418730000e+00  1.2931950000e+00  2.5360870000e+00 -2.1411340000e+00  2.1747870000e+00  2.4246880000e+00 -9.1545800000e-01
-ENERGY -1.526612882835e+02
-FORCES  3.3517000000e-03  2.1393000000e-03 -6.6878000000e-03 -6.6643000000e-03 -5.2656000000e-03  6.2709000000e-03  1.7289000000e-03  2.1873000000e-03  1.5194000000e-03  1.9099000000e-03  7.0059000000e-03 -6.9500000000e-05  2.1557000000e-03 -3.4143000000e-03  2.7572000000e-03 -2.4819000000e-03 -2.6525000000e-03 -3.7901000000e-03
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9912600000e-01 -3.6980700000e-01  3.7532900000e-01  3.5727900000e-01  5.5372800000e-01  6.9424000000e-01  1.7186570000e+00  1.9208670000e+00  1.7133520000e+00  1.1505920000e+00  2.6101800000e+00  2.0574160000e+00  2.1363950000e+00  1.5450760000e+00  2.4882770000e+00
-ENERGY -1.526598695488e+02
-FORCES  2.1681000000e-03  3.4576000000e-03  5.2000000000e-03  3.0603000000e-03  1.8668000000e-03 -5.6780000000e-04 -7.3328000000e-03 -6.1745000000e-03 -4.5334000000e-03  3.0722000000e-03  3.6570000000e-03  5.1849000000e-03  1.9006000000e-03 -4.7148000000e-03 -1.6609000000e-03 -2.8684000000e-03  1.9079000000e-03 -3.6228000000e-03
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4326400000e-01  5.4985500000e-01 -4.4732800000e-01  4.5803300000e-01  5.9830700000e-01  5.9031000000e-01 -7.0098000000e-02 -3.1153240000e+00 -1.6637700000e-01 -4.8175100000e-01 -2.3506790000e+00 -5.6898300000e-01 -8.0311200000e-01 -3.6717610000e+00  9.6874000000e-02
-ENERGY -1.526560543112e+02
-FORCES  1.9011000000e-03  5.0656000000e-03  2.9525000000e-03  2.2842000000e-03 -3.9657000000e-03  1.6659000000e-03 -2.5191000000e-03 -1.4759000000e-03 -2.9082000000e-03 -3.4824000000e-03  4.7825000000e-03  1.7400000000e-04 -7.8960000000e-04 -6.8219000000e-03 -1.0074000000e-03  2.6058000000e-03  2.4155000000e-03 -8.7680000000e-04
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5324000000e-01 -5.3691600000e-01  6.5002000000e-01 -5.4744900000e-01 -6.1905400000e-01 -4.8301600000e-01  1.5579130000e+00 -1.7748010000e+00 -1.5504700000e+00  2.3906470000e+00 -1.9311420000e+00 -1.9958280000e+00  1.1698230000e+00 -1.0362010000e+00 -2.0196050000e+00
-ENERGY -1.526557951663e+02
-FORCES  4.4602000000e-03 -9.9391000000e-03  1.4860000000e-04 -3.2215000000e-03  3.7078000000e-03  2.1700000000e-05  1.9950000000e-03  3.9375000000e-03 -7.4000000000e-04  7.2300000000e-05  6.1901000000e-03 -1.5032000000e-03 -3.2935000000e-03  1.7432000000e-03  2.4014000000e-03 -1.2500000000e-05 -5.6396000000e-03 -3.2840000000e-04
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3892300000e-01  5.3742200000e-01  2.8531200000e-01 -3.8101300000e-01 -6.2254300000e-01 -6.1927500000e-01  1.6200820000e+00  1.8349110000e+00 -1.9162080000e+00  8.3322500000e-01  1.4403790000e+00 -1.5401330000e+00  2.0677550000e+00  2.2349540000e+00 -1.1706980000e+00
-ENERGY -1.526583187279e+02
-FORCES -4.5673000000e-03 -4.1839000000e-03  1.2651000000e-03  4.7010000000e-03 -1.3340000000e-03 -3.0206000000e-03  1.8102000000e-03  4.5552000000e-03  2.4504000000e-03 -2.2979000000e-03 -3.9935000000e-03  8.5995000000e-03  1.4461000000e-03  5.0256000000e-03 -6.2080000000e-03 -1.0922000000e-03 -6.9300000000e-05 -3.0863000000e-03
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4877400000e-01 -5.9077700000e-01  5.1581100000e-01  6.1749200000e-01  4.8254700000e-01 -5.4962200000e-01 -1.7351480000e+00 -1.7577680000e+00  1.5840660000e+00 -2.4154040000e+00 -2.1073460000e+00  2.1596340000e+00 -1.1104110000e+00 -1.3401520000e+00  2.1769670000e+00
-ENERGY -1.526516854137e+02
-FORCES  3.9866000000e-03 -2.4617000000e-03 -6.9930000000e-04 -2.2841000000e-03  3.7751000000e-03  1.7030000000e-04 -3.3564000000e-03 -2.2433000000e-03  2.1617000000e-03 -5.5510000000e-04  2.5004000000e-03  4.1408000000e-03  2.6553000000e-03  1.8257000000e-03 -2.9854000000e-03 -4.4640000000e-04 -3.3963000000e-03 -2.7880000000e-03
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3512100000e-01 -2.1458500000e-01 -6.8323200000e-01 -5.5937700000e-01 -7.7446300000e-01  5.9469000000e-02  1.9921300000e-01 -3.0792500000e-01  3.1290520000e+00 -1.4984500000e-01 -8.6718300000e-01  3.8230420000e+00  7.7220500000e-01  3.0944900000e-01  3.5837610000e+00
-ENERGY -1.526522732781e+02
-FORCES -5.4000000000e-05 -5.2436000000e-03  5.3990000000e-04 -2.2127000000e-03  1.1965000000e-03  3.0236000000e-03  1.5733000000e-03  2.9246000000e-03 -2.1093000000e-03  1.9610000000e-03  2.1447000000e-03  3.8920000000e-03  1.0843000000e-03  1.9281000000e-03 -4.0238000000e-03 -2.3519000000e-03 -2.9504000000e-03 -1.3225000000e-03
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9943300000e-01  2.6927300000e-01 -6.9599100000e-01  6.5894000000e-01 -5.3377300000e-01 -4.4397800000e-01  1.7763920000e+00 -1.5258630000e+00  1.3272050000e+00  1.1249250000e+00 -1.0556880000e+00  1.8475470000e+00  2.3531110000e+00 -1.9316700000e+00  1.9744670000e+00
-ENERGY -1.526599336386e+02
-FORCES  3.9100000000e-03 -3.6515000000e-03 -2.4299000000e-03  3.1092000000e-03 -1.7813000000e-03  1.9820000000e-03 -5.6176000000e-03  4.3588000000e-03 -5.6450000000e-04 -3.7257000000e-03  3.0777000000e-03  2.8091000000e-03  5.4154000000e-03 -4.1384000000e-03 -6.8600000000e-05 -3.0913000000e-03  2.1348000000e-03 -1.7281000000e-03
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6744700000e-01  6.2641200000e-01  2.7991600000e-01 -3.7690100000e-01 -4.2372500000e-01 -7.7112600000e-01  1.6005600000e+00 -1.5429310000e+00  1.6149040000e+00  2.1723550000e+00 -2.2150890000e+00  1.2441150000e+00  1.2006970000e+00 -1.1216300000e+00  8.5408400000e-01
-ENERGY -1.526593744820e+02
-FORCES -2.2110000000e-03 -2.0650000000e-04  4.3929000000e-03  1.9120000000e-03 -2.7374000000e-03 -3.5293000000e-03  2.5085000000e-03  1.4039000000e-03  4.2096000000e-03 -5.5803000000e-03  6.3101000000e-03 -6.8606000000e-03 -3.0649000000e-03  2.7216000000e-03 -6.7900000000e-04  6.4356000000e-03 -7.4918000000e-03  2.4665000000e-03
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2580300000e-01 -5.1076500000e-01 -6.1553400000e-01 -6.0253100000e-01  4.9667100000e-01 -5.5363100000e-01  1.6319010000e+00 -1.8114740000e+00  1.5050170000e+00  1.1155060000e+00 -1.1820640000e+00  2.0084170000e+00  2.1898700000e+00 -1.2712000000e+00  9.4554700000e-01
-ENERGY -1.526557044274e+02
-FORCES  1.1880000000e-04 -3.2046000000e-03 -4.0379000000e-03 -4.1620000000e-04  4.4861000000e-03  2.0045000000e-03  2.7330000000e-03 -2.9758000000e-03  2.4485000000e-03 -4.1495000000e-03  8.8646000000e-03 -6.8880000000e-04  3.7460000000e-03 -4.0262000000e-03  8.8860000000e-04 -2.0321000000e-03 -3.1440000000e-03 -6.1500000000e-04
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7803600000e-01  6.0092400000e-01 -5.7149300000e-01  4.3270200000e-01  5.6810800000e-01  6.3738100000e-01  1.7725990000e+00 -1.6627280000e+00  1.7751270000e+00  1.2496620000e+00 -9.8135900000e-01  2.1976270000e+00  1.1474420000e+00 -2.1430390000e+00  1.2322530000e+00
-ENERGY -1.526550831223e+02
-FORCES  1.5473000000e-03  5.0632000000e-03 -4.7560000000e-04  2.6422000000e-03 -2.6248000000e-03  2.5796000000e-03 -3.3559000000e-03 -3.0841000000e-03 -4.6040000000e-04 -7.4720000000e-03  8.1860000000e-04 -3.9860000000e-03  2.8627000000e-03  3.2810000000e-04 -1.5547000000e-03  3.7757000000e-03 -5.0100000000e-04  3.8972000000e-03
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2514200000e-01  2.1686700000e-01 -4.3398300000e-01 -2.2876700000e-01 -6.9527100000e-01  6.1684400000e-01 -2.2148990000e+00  1.4533850000e+00  1.9190730000e+00 -1.5707260000e+00  9.4874700000e-01  2.4156750000e+00 -1.7011510000e+00  2.1291840000e+00  1.4768180000e+00
-ENERGY -1.526564223354e+02
-FORCES -6.6467000000e-03 -2.5784000000e-03  4.2720000000e-04  4.7076000000e-03 -3.0240000000e-04  7.6110000000e-04  1.7830000000e-03  3.1425000000e-03 -1.2733000000e-03  7.3589000000e-03  1.4186000000e-03  2.0580000000e-04 -3.5378000000e-03  5.4360000000e-04 -1.4639000000e-03 -3.6650000000e-03 -2.2239000000e-03  1.3431000000e-03
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5316000000e-01  6.7805400000e-01  5.7597900000e-01  2.2762300000e-01  4.6410900000e-01 -8.0561900000e-01  1.5919350000e+00  1.8394760000e+00  1.3563250000e+00  2.0879650000e+00  1.1427440000e+00  9.2649800000e-01  2.2454440000e+00  2.3222420000e+00  1.8623830000e+00
-ENERGY -1.526583119819e+02
-FORCES  1.7000000000e-06  9.2275000000e-03  2.7073000000e-03 -1.2164000000e-03 -4.6722000000e-03 -3.5373000000e-03  8.3730000000e-04 -2.6317000000e-03  2.8932000000e-03  2.5174000000e-03 -4.6758000000e-03 -1.1571000000e-03  3.1400000000e-04  5.9050000000e-03  1.7172000000e-03 -2.4540000000e-03 -3.1529000000e-03 -2.6233000000e-03
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1736400000e-01 -4.1261600000e-01  6.0402100000e-01  5.2564300000e-01  5.7872300000e-01  5.5227900000e-01  1.5127860000e+00  1.5525640000e+00  1.6340680000e+00  8.2844400000e-01  2.0526390000e+00  2.0788520000e+00  2.0536420000e+00  2.2153340000e+00  1.2046000000e+00
-ENERGY -1.526595173537e+02
-FORCES  9.3671000000e-03  7.0934000000e-03  1.0998800000e-02  1.8934000000e-03  2.5146000000e-03 -7.0210000000e-04 -8.3853000000e-03 -3.7974000000e-03 -5.6552000000e-03 -1.7568000000e-03  1.4800000000e-03 -3.1476000000e-03  2.6675000000e-03 -4.0878000000e-03 -4.0774000000e-03 -3.7860000000e-03 -3.2028000000e-03  2.5836000000e-03
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8863500000e-01 -1.5498700000e-01  8.0836000000e-01  4.3637000000e-02 -8.3261600000e-01 -4.7018900000e-01  1.6303330000e+00  1.6774860000e+00 -1.4113230000e+00  1.0969070000e+00  2.0986420000e+00 -2.0853530000e+00  1.1614070000e+00  8.6903900000e-01 -1.2045500000e+00
-ENERGY -1.526569070197e+02
-FORCES  3.3194000000e-03  1.2007000000e-03  3.6912000000e-03 -2.6152000000e-03 -2.4250000000e-04 -4.9325000000e-03  2.6994000000e-03  7.3666000000e-03 -1.2700000000e-04 -1.1434600000e-02 -6.7371000000e-03  6.2464000000e-03  1.2607000000e-03 -2.0586000000e-03  2.0058000000e-03  6.7703000000e-03  4.7090000000e-04 -6.8839000000e-03
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0934000000e-01  1.9174300000e-01 -7.8742600000e-01 -7.9835600000e-01 -4.1553700000e-01 -3.2586600000e-01  1.6143800000e+00 -1.7952290000e+00  1.3193250000e+00  2.4440670000e+00 -1.8417630000e+00  8.4426100000e-01  1.1082580000e+00 -1.1294290000e+00  8.5372600000e-01
-ENERGY -1.526596180179e+02
-FORCES -1.0094000000e-03 -3.5508000000e-03 -2.0842000000e-03 -1.3405000000e-03 -3.1258000000e-03  5.2245000000e-03  4.7498000000e-03  2.6040000000e-03  8.8410000000e-04 -7.3330000000e-03  9.9462000000e-03 -6.8358000000e-03 -3.3433000000e-03  1.3969000000e-03  3.0900000000e-05  8.2764000000e-03 -7.2706000000e-03  2.7805000000e-03
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0486000000e-01 -5.1536000000e-01  6.2908800000e-01  6.7729200000e-01  4.2477900000e-01  5.2637400000e-01  1.7291590000e+00  1.6335780000e+00  1.8497060000e+00  1.1713140000e+00  2.1204580000e+00  2.4563270000e+00  2.4619150000e+00  1.3321650000e+00  2.3867820000e+00
-ENERGY -1.526610801378e+02
-FORCES  4.3820000000e-03  2.9366000000e-03  7.1206000000e-03  1.3533000000e-03  1.7384000000e-03 -1.7743000000e-03 -5.8403000000e-03 -5.6293000000e-03 -5.9835000000e-03  9.9090000000e-04  2.3545000000e-03  4.8457000000e-03  3.1483000000e-03 -2.9506000000e-03 -2.2112000000e-03 -4.0341000000e-03  1.5505000000e-03 -1.9973000000e-03
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6278500000e-01 -4.9546600000e-01 -4.8110400000e-01  5.0222600000e-01  5.7039200000e-01  5.8194000000e-01  1.6480720000e+00  1.9277810000e+00  1.8975250000e+00  2.0228520000e+00  1.2382230000e+00  2.4455030000e+00  2.3529060000e+00  2.1651420000e+00  1.2949470000e+00
-ENERGY -1.526594372792e+02
-FORCES  4.9951000000e-03  3.7540000000e-03  3.0404000000e-03 -1.7043000000e-03  2.0875000000e-03  2.1033000000e-03 -3.2158000000e-03 -7.6389000000e-03 -6.1630000000e-03  6.4730000000e-03  1.9197000000e-03  3.1380000000e-03 -2.4207000000e-03  2.6329000000e-03 -4.4877000000e-03 -4.1274000000e-03 -2.7551000000e-03  2.3689000000e-03
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6852300000e-01 -5.9921900000e-01 -4.8368400000e-01 -4.3589000000e-01 -5.5334600000e-01  6.4810400000e-01  1.8909440000e+00 -1.4714070000e+00 -1.5149850000e+00  2.5707510000e+00 -1.9548780000e+00 -1.0455710000e+00  2.3709770000e+00 -8.3056500000e-01 -2.0395050000e+00
-ENERGY -1.526616667650e+02
-FORCES  6.1371000000e-03 -8.0695000000e-03 -5.0225000000e-03 -7.1657000000e-03  6.0543000000e-03  5.9248000000e-03  2.2431000000e-03  8.6090000000e-04 -2.0420000000e-03  3.8543000000e-03  2.3478000000e-03  4.9540000000e-04 -3.2052000000e-03  2.5894000000e-03 -2.4594000000e-03 -1.8637000000e-03 -3.7829000000e-03  3.1038000000e-03
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5742200000e-01 -4.0633000000e-01 -7.3613300000e-01 -5.8621300000e-01  6.3917600000e-01 -4.0501900000e-01  1.6851560000e+00  1.5247710000e+00  2.0151670000e+00  1.0340470000e+00  2.1205910000e+00  2.3856900000e+00  1.2221060000e+00  1.0712220000e+00  1.3108170000e+00
-ENERGY -1.526608122101e+02
-FORCES -1.8018000000e-03 -1.2707000000e-03 -6.0163000000e-03 -2.5203000000e-03  2.5680000000e-03  3.5068000000e-03  3.6422000000e-03 -2.5517000000e-03  2.6129000000e-03 -7.0822000000e-03 -3.6578000000e-03 -4.2733000000e-03  1.8468000000e-03 -1.5744000000e-03 -1.5991000000e-03  5.9153000000e-03  6.4866000000e-03  5.7690000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5270100000e-01  4.9382400000e-01  6.0571600000e-01  5.6187900000e-01 -5.2988900000e-01  5.6545700000e-01 -1.5868120000e+00 -1.5138000000e+00  1.8316160000e+00 -2.1335270000e+00 -9.2975200000e-01  1.3060470000e+00 -2.1394860000e+00 -1.7557370000e+00  2.5747500000e+00
-ENERGY -1.526550302986e+02
-FORCES -4.8330000000e-04 -4.7122000000e-03  9.4695000000e-03 -1.5638000000e-03 -1.1993000000e-03 -3.5191000000e-03  6.3440000000e-04  3.4275000000e-03 -3.9011000000e-03 -4.1153000000e-03  6.7760000000e-04 -2.6957000000e-03  2.7040000000e-03  1.1670000000e-04  4.4559000000e-03  2.8239000000e-03  1.6896000000e-03 -3.8094000000e-03
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7984100000e-01 -5.0094200000e-01 -5.7364900000e-01  4.7572000000e-01  8.1269400000e-01  1.7161300000e-01  1.8350640000e+00 -1.7063140000e+00  1.3830580000e+00  1.3293520000e+00 -1.0863620000e+00  1.9085540000e+00  1.1913530000e+00 -2.1063640000e+00  7.9839700000e-01
-ENERGY -1.526547134251e+02
-FORCES  9.4913000000e-03 -6.3700000000e-05 -4.6360000000e-04 -3.8811000000e-03 -9.2710000000e-04  2.6493000000e-03 -2.6787000000e-03 -3.2643000000e-03  3.7790000000e-04 -1.1285200000e-02  5.1372000000e-03 -1.3922000000e-03  4.5325000000e-03 -1.6898000000e-03  6.6320000000e-04  3.8212000000e-03  8.0770000000e-04 -1.8346000000e-03
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3554300000e-01 -5.9606900000e-01 -5.2357100000e-01 -6.9497800000e-01 -5.5282100000e-01  3.5724900000e-01  1.4584200000e-01  2.6021000000e-02 -3.1356490000e+00  7.9433200000e-01 -4.0758500000e-01 -3.6903370000e+00  6.5731000000e-01  6.2518600000e-01 -2.5919280000e+00
-ENERGY -1.526556718911e+02
-FORCES -3.1267000000e-03 -5.9380000000e-03 -3.0887000000e-03  2.8580000000e-04  3.7851000000e-03  3.1502000000e-03  3.0598000000e-03  1.9370000000e-03 -4.9760000000e-04  2.9177000000e-03  3.7794000000e-03 -1.1710000000e-04 -2.7044000000e-03  1.1398000000e-03  3.7740000000e-03 -4.3240000000e-04 -4.7033000000e-03 -3.2208000000e-03
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8457600000e-01 -4.6777600000e-01  2.8611000000e-01  3.3410600000e-01  7.6225600000e-01 -4.7283400000e-01  1.8142490000e+00 -1.7216040000e+00  1.6736520000e+00  1.1533570000e+00 -2.1342580000e+00  2.2296820000e+00  2.1539560000e+00 -9.9853400000e-01  2.2009110000e+00
-ENERGY -1.526605569659e+02
-FORCES  6.1949000000e-03 -3.4279000000e-03  1.2092000000e-03 -5.5472000000e-03  7.7856000000e-03 -4.3344000000e-03 -1.0800000000e-04 -2.8720000000e-03  2.5108000000e-03 -2.3140000000e-03 -8.8570000000e-04  6.8568000000e-03  3.9483000000e-03  2.0082000000e-03 -2.1760000000e-03 -2.1739000000e-03 -2.6082000000e-03 -4.0665000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8459700000e-01  2.9588600000e-01  4.6161800000e-01  5.0301000000e-01 -4.7479500000e-01  6.6165100000e-01 -1.3073800000e-01 -7.9040000000e-03 -2.9951610000e+00  5.2810900000e-01 -5.5486900000e-01 -2.5673980000e+00 -6.8080200000e-01 -6.2644100000e-01 -3.4758620000e+00
-ENERGY -1.526536499951e+02
-FORCES -3.7712000000e-03  1.5211000000e-03  3.5000000000e-03  3.6485000000e-03 -1.6512000000e-03 -9.4070000000e-04 -1.7668000000e-03  1.4462000000e-03 -4.4333000000e-03  1.1265000000e-03 -4.6067000000e-03  4.8701000000e-03 -9.2080000000e-04  8.1220000000e-04 -5.1776000000e-03  1.6838000000e-03  2.4784000000e-03  2.1815000000e-03
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1361400000e-01 -8.2238000000e-01 -2.6238600000e-01  5.5872600000e-01 -2.3776600000e-01  7.3994900000e-01  1.6455070000e+00  1.2760090000e+00 -1.4517050000e+00  1.1668190000e+00  1.7749080000e+00 -2.1136640000e+00  9.8857400000e-01  6.9586400000e-01 -1.0668640000e+00
-ENERGY -1.526567906705e+02
-FORCES  1.0814500000e-02  5.7648000000e-03 -5.6428000000e-03  3.5094000000e-03  4.8880000000e-03  8.6450000000e-04 -3.4318000000e-03  1.3030000000e-04 -5.4611000000e-03 -1.7268300000e-02 -1.0848300000e-02  1.2548100000e-02 -5.1110000000e-04 -2.7115000000e-03  2.1684000000e-03  6.8872000000e-03  2.7768000000e-03 -4.4770000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3906600000e-01 -5.0094900000e-01 -5.0683000000e-01 -5.1582100000e-01 -6.6331200000e-01  4.5845100000e-01 -1.4731630000e+00 -1.7759100000e+00 -1.5520260000e+00 -1.1149080000e+00 -2.4164380000e+00 -9.3752700000e-01 -7.3813900000e-01 -1.5548570000e+00 -2.1239570000e+00
-ENERGY -1.526469834120e+02
-FORCES -7.2121000000e-03 -9.3758000000e-03 -5.7579000000e-03 -2.1327000000e-03  6.8440000000e-04 -7.0500000000e-05  3.5771000000e-03  3.9780000000e-04  9.0430000000e-04  7.5158000000e-03  5.1068000000e-03  2.0882000000e-03 -3.9520000000e-04  5.1707000000e-03  5.4500000000e-05 -1.3530000000e-03 -1.9839000000e-03  2.7814000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6777500000e-01  6.8067000000e-01  8.3646000000e-02  6.1175600000e-01  3.4274900000e-01 -6.5154400000e-01 -2.9472600000e-01 -1.5357600000e-01  3.2538740000e+00  4.8695100000e-01  3.3226300000e-01  2.9908660000e+00 -6.0710400000e-01 -5.6111500000e-01  2.4460600000e+00
-ENERGY -1.526580822248e+02
-FORCES  2.7710000000e-04  4.1292000000e-03 -4.4890000000e-03  3.3394000000e-03 -3.7631000000e-03  6.0610000000e-04 -2.8485000000e-03 -9.1100000000e-04  2.9728000000e-03  3.7240000000e-03 -9.8020000000e-04 -7.2384000000e-03 -2.6802000000e-03 -4.2770000000e-04  2.9295000000e-03 -1.8118000000e-03  1.9528000000e-03  5.2190000000e-03
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0380200000e-01  3.1199300000e-01  6.7402900000e-01  4.5669800000e-01 -7.3529500000e-01  4.0865600000e-01 -1.8969290000e+00 -1.9521390000e+00 -1.5127780000e+00 -1.3895910000e+00 -2.3758580000e+00 -2.2050940000e+00 -1.2441820000e+00 -1.4954140000e+00 -9.8215900000e-01
-ENERGY -1.526591129402e+02
-FORCES  1.2052000000e-03  2.8347000000e-03  6.4831000000e-03  3.1051000000e-03 -2.5928000000e-03 -3.6491000000e-03 -4.5356000000e-03  2.0941000000e-03 -4.1334000000e-03  6.6019000000e-03  4.6982000000e-03  8.4600000000e-05 -1.4072000000e-03  1.1868000000e-03  2.7952000000e-03 -4.9694000000e-03 -8.2210000000e-03 -1.5804000000e-03
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3843000000e-01  6.4277800000e-01 -4.6169300000e-01  6.0378000000e-01  5.2545100000e-01  5.2496000000e-01  1.4337810000e+00 -1.5641630000e+00  1.8065090000e+00  1.9697280000e+00 -2.3518800000e+00  1.8986710000e+00  9.6447200000e-01 -1.6883680000e+00  9.8155200000e-01
-ENERGY -1.526604448189e+02
-FORCES  1.0161000000e-03  3.7241000000e-03  2.4060000000e-03  2.7605000000e-03 -1.4801000000e-03  2.5466000000e-03 -3.9001000000e-03 -1.6566000000e-03 -4.6332000000e-03 -2.8249000000e-03 -1.9662000000e-03 -4.7003000000e-03 -2.6291000000e-03  2.5894000000e-03 -1.2533000000e-03  5.5775000000e-03 -1.2107000000e-03  5.6343000000e-03
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1925300000e-01  6.7922400000e-01  4.3042300000e-01  3.6547100000e-01  4.3084000000e-01 -7.7268300000e-01  1.4037160000e+00  1.6942730000e+00  1.7919780000e+00  1.8491390000e+00  1.1517780000e+00  1.1411870000e+00  6.6750400000e-01  2.0814290000e+00  1.3183380000e+00
-ENERGY -1.526493339530e+02
-FORCES -5.5870000000e-04  5.5478000000e-03  2.9018000000e-03  3.8642000000e-03  8.5550000000e-04 -1.9794000000e-03  4.9460000000e-04 -7.6820000000e-04  5.7754000000e-03 -3.6514000000e-03 -7.9347000000e-03 -8.6915000000e-03  1.2958000000e-03  4.6270000000e-03  1.7323000000e-03 -1.4445000000e-03 -2.3272000000e-03  2.6150000000e-04
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0741600000e-01  6.1104800000e-01  6.1389300000e-01  3.3916000000e-02  4.7872500000e-01 -8.2819300000e-01 -1.4845900000e+00 -1.7993160000e+00  1.6018150000e+00 -1.6764680000e+00 -1.0966210000e+00  9.8082100000e-01 -2.3216730000e+00 -1.9750610000e+00  2.0315100000e+00
-ENERGY -1.526543569269e+02
-FORCES  1.8236000000e-03  4.0655000000e-03  4.7700000000e-04 -1.6513000000e-03 -5.0619000000e-03 -3.9884000000e-03 -6.2420000000e-04 -2.6250000000e-03  4.2043000000e-03 -3.5870000000e-04  2.2517000000e-03 -4.7729000000e-03 -2.8883000000e-03 -3.8790000000e-04  6.5568000000e-03  3.6989000000e-03  1.7576000000e-03 -2.4767000000e-03
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9378000000e-01 -5.7401700000e-01  4.8390200000e-01  4.3242600000e-01  5.2237100000e-01  6.7555000000e-01 -1.6326410000e+00  1.4867640000e+00  1.5878370000e+00 -1.9661090000e+00  2.2418770000e+00  2.0724350000e+00 -1.0513410000e+00  1.8632830000e+00  9.2711400000e-01
-ENERGY -1.526554301403e+02
-FORCES -6.2799000000e-03 -2.8770000000e-04  1.0255000000e-02  3.7059000000e-03  1.7900000000e-05 -3.6568000000e-03 -2.6383000000e-03  3.0833000000e-03 -4.3531000000e-03  1.5127000000e-03  9.4280000000e-04 -5.5131000000e-03  2.6108000000e-03 -3.1638000000e-03 -3.2579000000e-03  1.0887000000e-03 -5.9250000000e-04  6.5260000000e-03
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4238200000e-01 -5.7817800000e-01 -5.3643600000e-01 -6.6809600000e-01  3.2868500000e-01 -6.0153700000e-01 -1.5692280000e+00 -1.8774530000e+00 -1.5361610000e+00 -8.4993600000e-01 -2.4965290000e+00 -1.4112790000e+00 -1.2805420000e+00 -1.3161300000e+00 -2.2557500000e+00
-ENERGY -1.526494292507e+02
-FORCES -6.9355000000e-03 -6.7279000000e-03 -6.7712000000e-03 -4.5520000000e-04  1.0669000000e-03  8.6930000000e-04  3.6988000000e-03  1.6841000000e-03  2.4920000000e-04  5.7415000000e-03  3.3620000000e-04  1.5295000000e-03 -2.0272000000e-03  3.5429000000e-03 -1.1869000000e-03 -2.2400000000e-05  9.7800000000e-05  5.3101000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0110700000e-01 -5.5517900000e-01  7.7316600000e-01  9.4619300000e-01  1.0928300000e-01 -9.4905000000e-02 -1.6716030000e+00  1.8071510000e+00  1.8234850000e+00 -1.2175570000e+00  1.2636130000e+00  1.1795590000e+00 -2.1248750000e+00  1.1815730000e+00  2.3886660000e+00
-ENERGY -1.526587002658e+02
-FORCES  6.6245000000e-03 -2.5341000000e-03  7.5690000000e-04 -1.7895000000e-03  5.6264000000e-03 -2.7123000000e-03 -4.5195000000e-03 -1.5409000000e-03  4.9900000000e-04  1.9785000000e-03 -4.7784000000e-03 -4.7206000000e-03 -4.9892000000e-03  2.0402000000e-03  8.4793000000e-03  2.6952000000e-03  1.1867000000e-03 -2.3023000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9920600000e-01 -3.3397700000e-01  5.6196200000e-01  4.4090100000e-01  6.0186900000e-01 -5.9966000000e-01 -1.6025320000e+00 -1.8920070000e+00 -1.7232740000e+00 -2.0835740000e+00 -1.1002150000e+00 -1.9638900000e+00 -1.0752900000e+00 -1.6322270000e+00 -9.6778600000e-01
-ENERGY -1.526599486072e+02
-FORCES  5.0998000000e-03  2.6649000000e-03 -1.0851000000e-03 -3.5086000000e-03  9.1600000000e-04 -3.3245000000e-03 -2.0277000000e-03 -2.5020000000e-03  3.3290000000e-03  2.7980000000e-03  8.3446000000e-03  5.7210000000e-03  9.5830000000e-04 -2.7026000000e-03 -7.8300000000e-04 -3.3198000000e-03 -6.7208000000e-03 -3.8574000000e-03
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2620000000e-01  6.0242000000e-01 -4.0149100000e-01 -4.8867100000e-01 -4.1594000000e-01  7.1023000000e-01 -1.8159350000e+00  1.7584650000e+00 -1.5096630000e+00 -1.6357330000e+00  2.5525090000e+00 -2.0129050000e+00 -2.4773460000e+00  1.2941420000e+00 -2.0226650000e+00
-ENERGY -1.526616671526e+02
-FORCES -6.6474000000e-03  5.2057000000e-03 -2.3238000000e-03  5.3870000000e-03 -6.9837000000e-03  5.5814000000e-03  9.0110000000e-04  1.3082000000e-03 -2.6992000000e-03 -4.0190000000e-04  1.5247000000e-03 -4.3581000000e-03 -2.1822000000e-03 -3.7730000000e-03  1.4226000000e-03  2.9434000000e-03  2.7181000000e-03  2.3771000000e-03
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8836300000e-01  5.7433500000e-01 -6.5995900000e-01 -7.4677800000e-01 -4.4661900000e-01  3.9885500000e-01  1.6168830000e+00  1.5820520000e+00  1.6577050000e+00  1.1571030000e+00  2.1851940000e+00  2.2417030000e+00  9.5586300000e-01  1.3162320000e+00  1.0184680000e+00
-ENERGY -1.526584972954e+02
-FORCES -3.0944000000e-03 -2.5275000000e-03  1.0454000000e-03  3.0091000000e-03 -9.3880000000e-04  6.0294000000e-03  3.1930000000e-03  2.8748000000e-03 -2.7672000000e-03 -7.6368000000e-03 -5.8224000000e-03 -5.3641000000e-03  2.4010000000e-04 -2.7101000000e-03 -2.6122000000e-03  4.2890000000e-03  9.1240000000e-03  3.6688000000e-03
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2384900000e-01 -7.3922500000e-01 -4.3603900000e-01  6.5034000000e-01  3.1266800000e-01  6.2891100000e-01  1.3979400000e-01 -8.8229000000e-02 -2.9968580000e+00 -6.0792000000e-02 -8.1160900000e-01 -2.4029570000e+00  7.0380900000e-01  4.9238200000e-01 -2.4859660000e+00
-ENERGY -1.526512560022e+02
-FORCES  3.6665000000e-03 -2.2100000000e-03  1.5970000000e-03 -3.1730000000e-03  3.6076000000e-03 -3.0408000000e-03 -2.8878000000e-03 -8.2780000000e-04 -4.0452000000e-03 -1.5115000000e-03  2.6005000000e-03  8.7009000000e-03  3.3986000000e-03  7.1800000000e-05  4.8530000000e-04  5.0720000000e-04 -3.2421000000e-03 -3.6972000000e-03
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7331600000e-01 -5.6386600000e-01  5.1922600000e-01  4.2503000000e-01  5.6744000000e-01  6.4311300000e-01 -1.9304260000e+00 -1.8079760000e+00 -1.2878850000e+00 -2.4182650000e+00 -1.4180090000e+00 -5.6250900000e-01 -1.4011880000e+00 -2.4934470000e+00 -8.8012600000e-01
-ENERGY -1.526499955795e+02
-FORCES -1.6932000000e-03 -1.1746000000e-03  2.8514000000e-03  9.4540000000e-04  1.2129000000e-03 -8.5300000000e-04 -2.5152000000e-03 -2.8379000000e-03 -3.5494000000e-03  2.0792000000e-03  8.9880000000e-04  2.9045000000e-03  3.8774000000e-03 -1.7676000000e-03 -1.0954000000e-03 -2.6935000000e-03  3.6684000000e-03 -2.5800000000e-04
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4473700000e-01  3.8897900000e-01 -4.5857800000e-01 -4.2826400000e-01 -5.4696200000e-01 -6.5852400000e-01 -1.6203900000e+00  1.6409860000e+00 -1.7617310000e+00 -1.1154580000e+00  1.0968170000e+00 -2.3660120000e+00 -9.6188600000e-01  2.1540990000e+00 -1.2934150000e+00
-ENERGY -1.526500038895e+02
-FORCES -3.8272000000e-03  8.3500000000e-04 -6.6480000000e-03 -4.2698000000e-03  3.6910000000e-04  8.2690000000e-04  3.5697000000e-03  1.3355000000e-03  1.3555000000e-03  7.4630000000e-03 -2.3732000000e-03  5.5116000000e-03 -1.3087000000e-03  7.5500000000e-05  2.9395000000e-03 -1.6271000000e-03 -2.4200000000e-04 -3.9857000000e-03
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9739500000e-01 -4.9949100000e-01 -4.2471200000e-01 -4.6971100000e-01  4.1783500000e-01 -7.2181500000e-01 -1.3318200000e-01 -1.4044900000e-01  3.2108780000e+00 -5.4828700000e-01  5.8685600000e-01  2.7472530000e+00  4.2404700000e-01  2.7946000000e-01  3.8661680000e+00
-ENERGY -1.526546041653e+02
-FORCES  2.4216000000e-03 -2.5303000000e-03 -4.4627000000e-03 -3.0507000000e-03  2.5377000000e-03  7.9540000000e-04  1.7227000000e-03 -1.3333000000e-03  3.9519000000e-03  2.9580000000e-04  4.9202000000e-03 -2.5517000000e-03  4.6300000000e-04 -1.7900000000e-03  5.0265000000e-03 -1.8524000000e-03 -1.8043000000e-03 -2.7594000000e-03
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8882900000e-01 -5.8085100000e-01  7.0386200000e-01 -8.0817600000e-01 -3.9817900000e-01 -3.2332100000e-01  1.8345130000e+00 -1.8572010000e+00 -1.5255250000e+00  1.2064370000e+00 -1.4622620000e+00 -2.1303190000e+00  2.3629860000e+00 -1.1221910000e+00 -1.2145460000e+00
-ENERGY -1.526556409612e+02
-FORCES -4.0820000000e-04 -7.9267000000e-03  1.0196000000e-03 -1.3253000000e-03  3.8726000000e-03 -1.6865000000e-03  3.1381000000e-03  2.0495000000e-03  3.5880000000e-04 -3.5438000000e-03  9.5403000000e-03  8.7080000000e-04  1.9148000000e-03 -3.3638000000e-03  3.3030000000e-04  2.2440000000e-04 -4.1720000000e-03 -8.9310000000e-04
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2200500000e-01  3.0084300000e-01  7.4379800000e-01  4.2880200000e-01 -7.9606200000e-01  3.1407900000e-01  1.8479460000e+00  1.6510050000e+00 -1.3825600000e+00  1.2645210000e+00  2.1413580000e+00 -1.9616980000e+00  1.2607220000e+00  1.1248140000e+00 -8.3986000000e-01
-ENERGY -1.526616904777e+02
-FORCES  3.5590000000e-04 -1.1376000000e-03  2.9804000000e-03  2.6887000000e-03 -2.1261000000e-03 -3.6012000000e-03 -2.2506000000e-03  4.8008000000e-03 -9.6810000000e-04 -1.0160100000e-02 -5.6772000000e-03  3.9317000000e-03  1.5068000000e-03 -1.0316000000e-03  1.8819000000e-03  7.8592000000e-03  5.1717000000e-03 -4.2247000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6991400000e-01 -4.4772200000e-01  6.2527900000e-01 -5.5174500000e-01 -6.9376400000e-01 -3.6125000000e-01 -1.5220350000e+00 -1.4443680000e+00 -1.9862220000e+00 -9.9223100000e-01 -2.0487880000e+00 -2.5060460000e+00 -1.9916020000e+00 -9.1883500000e-01 -2.6339520000e+00
-ENERGY -1.526603193532e+02
-FORCES -4.3104000000e-03 -5.6886000000e-03 -4.0493000000e-03 -2.1546000000e-03  3.4570000000e-04 -3.1068000000e-03  5.7996000000e-03  3.4979000000e-03  7.6903000000e-03  1.2179000000e-03  2.8523000000e-03 -4.7651000000e-03 -2.5369000000e-03  2.6249000000e-03  2.4569000000e-03  1.9843000000e-03 -3.6323000000e-03  1.7740000000e-03
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6033900000e-01 -5.7210300000e-01 -3.9100200000e-01 -4.4506300000e-01 -5.5176800000e-01  6.4319700000e-01 -1.7178190000e+00  1.7335470000e+00  1.7351170000e+00 -1.2528290000e+00  1.0961990000e+00  2.2771530000e+00 -1.0251420000e+00  2.2607110000e+00  1.3369590000e+00
-ENERGY -1.526545735755e+02
-FORCES -1.7492000000e-03 -4.8000000000e-03  4.9200000000e-04 -3.2412000000e-03  2.8960000000e-03  2.0202000000e-03  3.7046000000e-03  2.2619000000e-03 -8.9590000000e-04  7.8262000000e-03 -6.5900000000e-04 -3.0567000000e-03 -2.6820000000e-03  5.4300000000e-05 -2.0070000000e-03 -3.8584000000e-03  2.4670000000e-04  3.4474000000e-03
-
-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9105300000e-01  4.8000900000e-01  2.4506900000e-01  4.2526000000e-01  5.5571400000e-01 -6.5312200000e-01  1.3975590000e+00 -1.4540780000e+00  1.9293160000e+00  9.5028600000e-01 -9.3492900000e-01  1.2609880000e+00  2.1191820000e+00 -1.8756280000e+00  1.4626390000e+00
-ENERGY -1.526611878831e+02
-FORCES  1.6760000000e-04  1.9823000000e-03  1.6530000000e-03  4.2798000000e-03 -1.5339000000e-03 -2.2527000000e-03 -2.6820000000e-03 -2.4910000000e-03  3.1110000000e-03 -4.9279000000e-03  5.2449000000e-03 -1.0222000000e-02  5.1626000000e-03 -5.0958000000e-03  7.0848000000e-03 -2.0000000000e-03  1.8937000000e-03  6.2580000000e-04
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3375300000e-01 -1.3655300000e-01  5.9932500000e-01  4.7212800000e-01  7.4828800000e-01  3.6522900000e-01  1.5195010000e+00 -1.5949800000e+00 -1.6519060000e+00  1.0940980000e+00 -1.1209910000e+00 -9.3734400000e-01  8.0590800000e-01 -2.0572970000e+00 -2.0915410000e+00
-ENERGY -1.526601912182e+02
-FORCES  1.1515000000e-03 -8.7770000000e-04  1.5200000000e-04  3.5071000000e-03  1.8853000000e-03 -2.8335000000e-03 -2.7357000000e-03 -4.5085000000e-03 -1.1876000000e-03 -1.0587200000e-02  6.4783000000e-03  6.7958000000e-03  6.7830000000e-03 -3.6277000000e-03 -4.1203000000e-03  1.8813000000e-03  6.5030000000e-04  1.1936000000e-03
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2944900000e-01 -5.5085700000e-01 -6.5449300000e-01  7.1601300000e-01  4.7776200000e-01  4.1868800000e-01  1.7424570000e+00  1.8316230000e+00 -1.5332740000e+00  1.2114320000e+00  2.5495660000e+00 -1.1885960000e+00  2.2391430000e+00  2.2238060000e+00 -2.2514160000e+00
-ENERGY -1.526564233180e+02
-FORCES  8.5726000000e-03  1.9418000000e-03 -5.3916000000e-03 -2.9922000000e-03 -8.1180000000e-04  3.2646000000e-03 -4.2321000000e-03 -8.6220000000e-04  1.1688000000e-03 -2.5346000000e-03  4.4083000000e-03 -1.2405000000e-03  4.0145000000e-03 -2.6098000000e-03 -6.5170000000e-04 -2.8283000000e-03 -2.0663000000e-03  2.8504000000e-03
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5008600000e-01  6.1109700000e-01 -4.9009900000e-01  5.5417900000e-01  5.5940900000e-01  5.4422300000e-01  1.2052600000e-01 -3.3457380000e+00  1.5312000000e-01  8.1522700000e-01 -3.7575030000e+00 -3.6075900000e-01 -5.6317700000e-01 -3.1440820000e+00 -4.8572100000e-01
-ENERGY -1.526530781796e+02
-FORCES  1.0537000000e-03  4.6150000000e-03  1.7957000000e-03  2.0559000000e-03 -3.5097000000e-03  1.6970000000e-03 -2.3686000000e-03 -1.8912000000e-03 -2.6397000000e-03 -2.2470000000e-04  2.2744000000e-03 -5.1346000000e-03 -2.5204000000e-03  1.3472000000e-03  2.1988000000e-03  2.0041000000e-03 -2.8358000000e-03  2.0829000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5181700000e-01 -4.8739500000e-01 -6.8886800000e-01 -2.3210600000e-01 -6.6294000000e-01  6.5028400000e-01  1.6671300000e+00 -1.5803880000e+00 -1.5225130000e+00  2.2283330000e+00 -2.1127770000e+00 -9.5873600000e-01  1.1898500000e+00 -2.2163460000e+00 -2.0554230000e+00
-ENERGY -1.526592858625e+02
-FORCES  8.7481000000e-03 -1.0055200000e-02 -6.6300000000e-03 -7.7629000000e-03  4.8588000000e-03  3.4116000000e-03  9.5190000000e-04  1.4386000000e-03 -1.7015000000e-03  1.7790000000e-04 -1.4653000000e-03  3.9600000000e-03 -3.5753000000e-03  1.4961000000e-03 -3.4278000000e-03  1.4603000000e-03  3.7271000000e-03  4.3878000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5745800000e-01 -7.3326400000e-01  5.0077800000e-01  7.4256200000e-01  3.2958300000e-01 -5.0617000000e-01 -1.5771270000e+00  1.5261260000e+00  1.7007610000e+00 -9.6498100000e-01  9.0245100000e-01  1.3101980000e+00 -2.1527590000e+00  9.8871600000e-01  2.2448850000e+00
-ENERGY -1.526591094395e+02
-FORCES  2.7813000000e-03  2.2486000000e-03 -1.1443000000e-03 -3.1376000000e-03  5.4403000000e-03 -7.3760000000e-04 -3.1588000000e-03 -3.1647000000e-03  2.4857000000e-03  5.3438000000e-03 -7.2403000000e-03 -7.6335000000e-03 -4.7782000000e-03  2.4021000000e-03  9.2524000000e-03  2.9495000000e-03  3.1410000000e-04 -2.2227000000e-03
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9534200000e-01  7.7664300000e-01 -5.2430800000e-01 -5.8949500000e-01 -5.1770900000e-01 -5.4836600000e-01 -8.5285000000e-02  9.2385000000e-02 -3.1470990000e+00 -5.0086700000e-01  7.4289500000e-01 -2.5810950000e+00 -7.6771200000e-01 -1.5319600000e-01 -3.7717720000e+00
-ENERGY -1.526523819361e+02
-FORCES  1.0119000000e-03 -1.3875000000e-03 -6.9849000000e-03 -3.3275000000e-03 -1.4296000000e-03  5.3120000000e-04  1.8710000000e-04  3.5601000000e-03  3.6244000000e-03 -4.0269000000e-03  2.2018000000e-03 -2.0486000000e-03  3.0510000000e-03 -3.5841000000e-03  1.2371000000e-03  3.1044000000e-03  6.3940000000e-04  3.6408000000e-03
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0113000000e-01 -4.6368400000e-01  4.5787100000e-01  4.0660400000e-01  5.4547400000e-01  6.7332200000e-01 -1.2261000000e+00  1.6784940000e+00 -1.6660590000e+00 -9.9806800000e-01  8.8949700000e-01 -1.1744120000e+00 -2.1256320000e+00  1.5284600000e+00 -1.9568570000e+00
-ENERGY -1.526578617508e+02
-FORCES -1.1561000000e-03  7.6977000000e-03  1.1012000000e-03  1.7031000000e-03  4.5323000000e-03 -4.8720000000e-03 -2.2462000000e-03 -4.3674000000e-03 -2.3077000000e-03  7.3422000000e-03 -9.9390000000e-03  8.1587000000e-03 -8.9620000000e-03  4.0711000000e-03 -5.1711000000e-03  3.3190000000e-03 -1.9948000000e-03  3.0908000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6200600000e-01 -4.6376400000e-01  6.2072900000e-01  3.8121700000e-01  7.1514600000e-01  5.0938300000e-01 -1.8456580000e+00 -1.5845460000e+00  1.6824950000e+00 -2.5368320000e+00 -1.1680960000e+00  2.1973550000e+00 -1.3083870000e+00 -2.0430950000e+00  2.3284860000e+00
-ENERGY -1.526609765031e+02
-FORCES -5.5985000000e-03 -2.9263000000e-03  6.3630000000e-03  8.3522000000e-03  5.5900000000e-03 -4.7789000000e-03 -1.6299000000e-03 -2.6327000000e-03 -9.2710000000e-04 -2.8335000000e-03 -1.5393000000e-03  4.5068000000e-03  4.0242000000e-03 -2.2443000000e-03 -1.8473000000e-03 -2.3145000000e-03  3.7527000000e-03 -3.3164000000e-03
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7416900000e-01 -5.7678100000e-01  5.9893200000e-01 -8.3892400000e-01 -4.3857800000e-01 -1.4173200000e-01  1.4508300000e+00  1.7267610000e+00 -1.4181880000e+00  8.2047500000e-01  2.3066290000e+00 -1.8455490000e+00  9.3319600000e-01  1.2413350000e+00 -7.7581100000e-01
-ENERGY -1.526586551081e+02
-FORCES  3.3137000000e-03  2.8317000000e-03 -5.8423000000e-03 -3.2365000000e-03  2.5315000000e-03 -3.1801000000e-03  4.1493000000e-03  7.3350000000e-04  2.0878000000e-03 -1.0945900000e-02 -9.0633000000e-03  7.2150000000e-03  9.0890000000e-04 -2.2049000000e-03  1.2109000000e-03  5.8105000000e-03  5.1715000000e-03 -1.4913000000e-03
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1588400000e-01  3.8156200000e-01 -5.0808700000e-01 -4.3557700000e-01 -5.0232800000e-01  6.8860000000e-01  1.6738010000e+00 -1.8503630000e+00  1.6654580000e+00  1.2707820000e+00 -1.2894410000e+00  2.3281600000e+00  2.2402340000e+00 -1.2624690000e+00  1.1656930000e+00
-ENERGY -1.526558423605e+02
-FORCES -4.0347000000e-03 -3.0972000000e-03  7.7180000000e-04  2.9837000000e-03 -2.2894000000e-03  2.4016000000e-03  6.7850000000e-04  4.9073000000e-03 -1.3923000000e-03  1.7314000000e-03  6.9102000000e-03 -2.3903000000e-03 -8.4770000000e-04 -2.7531000000e-03 -3.1102000000e-03 -5.1130000000e-04 -3.6778000000e-03  3.7195000000e-03
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5367500000e-01 -5.6598800000e-01 -4.1060700000e-01  4.6763900000e-01  4.2388800000e-01  7.1962800000e-01 -1.7055980000e+00  1.6709930000e+00 -1.8701420000e+00 -1.2266890000e+00  9.7903000000e-01 -1.4140010000e+00 -1.0588470000e+00  2.3644380000e+00 -2.0008290000e+00
-ENERGY -1.526604894034e+02
-FORCES  4.4023000000e-03 -2.1160000000e-04  3.5540000000e-03 -3.1648000000e-03  3.5454000000e-03  1.6051000000e-03 -1.1537000000e-03 -2.6102000000e-03 -3.6213000000e-03  6.9253000000e-03 -2.9533000000e-03  5.4536000000e-03 -4.9170000000e-03  3.9244000000e-03 -7.1401000000e-03 -2.0920000000e-03 -1.6947000000e-03  1.4880000000e-04
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6744600000e-01  6.2615700000e-01 -4.4962700000e-01 -6.0358800000e-01 -5.8551000000e-01  4.5726600000e-01  2.8205700000e-01 -1.2599000000e-02  3.2407870000e+00  7.9350700000e-01 -6.4513300000e-01  2.7362550000e+00 -6.1651400000e-01 -3.3921100000e-01  3.1946740000e+00
-ENERGY -1.526523714659e+02
-FORCES -4.9201000000e-03  2.3887000000e-03  1.1558000000e-03  2.1192000000e-03 -2.9693000000e-03  1.6223000000e-03  2.8886000000e-03  1.0671000000e-03 -7.6380000000e-04 -7.1300000000e-05 -2.5690000000e-03 -4.4985000000e-03 -3.1714000000e-03  1.1210000000e-03  3.4042000000e-03  3.1550000000e-03  9.6140000000e-04 -9.1990000000e-04
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6293900000e-01  5.6463500000e-01 -3.9740600000e-01 -3.9367700000e-01 -4.6446500000e-01 -7.3859500000e-01 -1.5561820000e+00 -1.8135780000e+00  1.9268750000e+00 -1.1495350000e+00 -2.1992680000e+00  1.1509150000e+00 -2.2383100000e+00 -2.4373720000e+00  2.1754980000e+00
-ENERGY -1.526523896594e+02
-FORCES  7.3140000000e-04  2.0139000000e-03 -4.4568000000e-03 -3.1982000000e-03 -2.3101000000e-03  2.0075000000e-03  2.0010000000e-03  5.6400000000e-05  4.0851000000e-03  9.3630000000e-04 -2.9526000000e-03 -2.6282000000e-03 -3.3962000000e-03  8.9000000000e-06  2.2611000000e-03  2.9258000000e-03  3.1836000000e-03 -1.2687000000e-03
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7503200000e-01 -5.9874200000e-01 -3.1948600000e-01 -7.5776500000e-01 -1.7246900000e-01 -5.5881900000e-01 -1.8340000000e-01 -4.1421300000e-01  3.2457600000e+00 -6.1795200000e-01  3.1134000000e-02  2.5183940000e+00  4.2159700000e-01  2.3784000000e-01  3.5993680000e+00
-ENERGY -1.526577224925e+02
-FORCES  1.5959000000e-03 -4.7274000000e-03 -4.0333000000e-03 -3.0097000000e-03  3.0245000000e-03  6.9900000000e-05  2.9714000000e-03  8.0040000000e-04  3.0766000000e-03  1.1751000000e-03  4.7494000000e-03 -5.1440000000e-03 -7.5140000000e-04 -1.3149000000e-03  6.8410000000e-03 -1.9814000000e-03 -2.5321000000e-03 -8.1020000000e-04
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3816400000e-01  8.8958000000e-02  7.8657400000e-01 -4.2518000000e-01 -8.5228100000e-01  9.5245000000e-02 -1.6496360000e+00 -1.8144560000e+00 -1.5831720000e+00 -2.1348670000e+00 -1.0740040000e+00 -1.9471960000e+00 -2.3153380000e+00 -2.3468620000e+00 -1.1477220000e+00
-ENERGY -1.526580695901e+02
-FORCES -1.4647000000e-03 -5.6899000000e-03 -6.7780000000e-04 -2.6387000000e-03 -1.5754000000e-03 -3.0239000000e-03  3.3772000000e-03  5.5658000000e-03  5.5827000000e-03 -4.5892000000e-03  3.2616000000e-03 -3.1932000000e-03  1.1311000000e-03 -4.6694000000e-03  1.5441000000e-03  4.1844000000e-03  3.1074000000e-03 -2.3190000000e-04
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8109900000e-01  4.9781900000e-01  2.4143800000e-01  4.1266300000e-01  5.2035800000e-01 -6.8932500000e-01 -1.7093270000e+00  1.5444170000e+00 -1.8610100000e+00 -1.1404190000e+00  1.0405610000e+00 -2.4429940000e+00 -2.0019630000e+00  2.2844010000e+00 -2.3930060000e+00
-ENERGY -1.526569528361e+02
-FORCES -5.1243000000e-03  7.7526000000e-03 -2.9334000000e-03  3.9087000000e-03 -3.7109000000e-03  2.3020000000e-03  1.4800000000e-05 -3.5178000000e-03 -8.7100000000e-05  9.6000000000e-05 -6.3660000000e-04 -4.9309000000e-03 -7.3710000000e-04  3.7528000000e-03  3.3232000000e-03  1.8419000000e-03 -3.6401000000e-03  2.3263000000e-03
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1644800000e-01  6.4313600000e-01  4.8568500000e-01 -6.4099200000e-01 -6.4306800000e-01 -3.0302600000e-01  1.7084640000e+00 -1.8869490000e+00 -1.4586270000e+00  2.3894850000e+00 -2.4139560000e+00 -1.8766040000e+00  1.2255210000e+00 -1.4971650000e+00 -2.1873700000e+00
-ENERGY -1.526526275693e+02
-FORCES -3.8680000000e-03 -2.2213000000e-03  1.2985000000e-03  2.9006000000e-03 -2.9414000000e-03 -2.0070000000e-03  1.8965000000e-03  4.0898000000e-03 -9.2200000000e-05  9.1950000000e-04  1.8077000000e-03 -4.2134000000e-03 -2.7495000000e-03  2.6742000000e-03  2.2680000000e-03  9.0090000000e-04 -3.4091000000e-03  2.7460000000e-03
-
-JOB 180
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7103900000e-01 -6.1332400000e-01 -5.6408100000e-01  6.7482600000e-01  3.6840100000e-01  5.7019500000e-01  1.7848270000e+00 -1.6691170000e+00  1.7191990000e+00  1.1996400000e+00 -1.1749740000e+00  2.2933160000e+00  1.2326880000e+00 -2.3579010000e+00  1.3491300000e+00
-ENERGY -1.526557279677e+02
-FORCES  9.7634000000e-03 -3.3277000000e-03  1.2217000000e-03 -3.7036000000e-03  1.2252000000e-03  7.9170000000e-04 -4.6065000000e-03  4.8150000000e-04  1.7090000000e-04 -8.7030000000e-03 -7.2670000000e-04 -3.9800000000e-05  3.7940000000e-03  6.5200000000e-05 -2.6525000000e-03  3.4557000000e-03  2.2825000000e-03  5.0790000000e-04
-
-JOB 181
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6510900000e-01  5.2928600000e-01 -6.4789000000e-01 -6.8371800000e-01 -5.2409600000e-01  4.1723500000e-01  1.4342910000e+00 -1.8452020000e+00 -1.6617630000e+00  7.6761800000e-01 -1.2703740000e+00 -1.2857950000e+00  9.5877000000e-01 -2.3812240000e+00 -2.2964230000e+00
-ENERGY -1.526587069874e+02
-FORCES -3.7610000000e-03  2.0106000000e-03  2.7403000000e-03  3.1746000000e-03 -5.6107000000e-03  1.8523000000e-03  3.7983000000e-03  2.0563000000e-03 -4.1116000000e-03 -5.4490000000e-03  5.6654000000e-03  5.0673000000e-03  2.0788000000e-03 -7.0522000000e-03 -8.6251000000e-03  1.5830000000e-04  2.9306000000e-03  3.0768000000e-03
-
-JOB 182
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9011400000e-01 -6.1073100000e-01 -4.4159400000e-01 -5.6261800000e-01  3.3673400000e-01 -6.9735400000e-01 -1.8227730000e+00 -1.6479740000e+00  1.2438790000e+00 -1.1223500000e+00 -2.1024930000e+00  1.7119090000e+00 -1.3948070000e+00 -8.8684600000e-01  8.5175500000e-01
-ENERGY -1.526582680189e+02
-FORCES -8.5650000000e-04 -5.7325000000e-03 -2.9465000000e-03 -2.8392000000e-03  3.4180000000e-03  2.2222000000e-03  1.1071000000e-03 -3.6737000000e-03  5.6527000000e-03  1.3478400000e-02  8.6185000000e-03 -3.7441000000e-03 -2.0341000000e-03 -6.0900000000e-05 -1.4112000000e-03 -8.8556000000e-03 -2.5694000000e-03  2.2690000000e-04
-
-JOB 183
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4719000000e-01 -5.6703100000e-01 -6.8859800000e-01 -5.6290200000e-01 -5.7247600000e-01  5.2119500000e-01  1.5628700000e+00 -1.6273800000e+00  1.7379600000e+00  2.0037260000e+00 -8.9683600000e-01  1.3041580000e+00  1.0544310000e+00 -2.0470770000e+00  1.0440040000e+00
-ENERGY -1.526512603524e+02
-FORCES -3.4760000000e-04 -6.0308000000e-03  3.9811000000e-03  5.8600000000e-04  8.6000000000e-04  5.3581000000e-03  2.8118000000e-03  5.8400000000e-04 -3.9371000000e-03 -3.2367000000e-03  8.2931000000e-03 -8.3423000000e-03  1.4960000000e-03 -4.5936000000e-03  1.9872000000e-03 -1.3095000000e-03  8.8730000000e-04  9.5300000000e-04
-
-JOB 184
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6689500000e-01  3.8054200000e-01 -7.4392800000e-01 -5.4044700000e-01 -6.9061300000e-01 -3.8367100000e-01 -1.4824780000e+00  1.7519770000e+00 -1.6623700000e+00 -1.9759730000e+00  2.3010160000e+00 -2.2716740000e+00 -2.1506970000e+00  1.2460760000e+00 -1.2000070000e+00
-ENERGY -1.526552861634e+02
-FORCES -1.1109000000e-03  3.4674000000e-03 -8.6942000000e-03  1.0913000000e-03 -3.8758000000e-03  4.0802000000e-03  1.4300000000e-04  2.8612000000e-03  2.2088000000e-03 -4.0402000000e-03 -9.8980000000e-04  3.5361000000e-03  2.5061000000e-03 -2.8381000000e-03  3.2359000000e-03  1.4106000000e-03  1.3751000000e-03 -4.3668000000e-03
-
-JOB 185
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3706100000e-01 -5.9207400000e-01 -6.7236100000e-01 -5.0612200000e-01 -5.6411000000e-01  5.8468100000e-01  1.2281630000e+00  1.9251830000e+00  1.3843140000e+00  1.7552860000e+00  2.3488240000e+00  7.0689100000e-01  7.1957000000e-01  1.2643270000e+00  9.1438400000e-01
-ENERGY -1.526590494091e+02
-FORCES  5.7995000000e-03  2.6737000000e-03  3.5566000000e-03 -2.9740000000e-03  1.7818000000e-03  3.4131000000e-03  3.4978000000e-03  2.9659000000e-03 -3.2738000000e-03 -6.2062000000e-03 -1.1086300000e-02 -1.1661200000e-02 -1.1019000000e-03 -1.5707000000e-03  1.3104000000e-03  9.8470000000e-04  5.2355000000e-03  6.6549000000e-03
-
-JOB 186
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2095700000e-01  5.2926000000e-01  6.0392100000e-01  4.0670400000e-01  6.3680700000e-01 -5.8762200000e-01 -1.6670200000e+00  1.7230210000e+00 -1.7391900000e+00 -2.4226230000e+00  1.9081110000e+00 -2.2968980000e+00 -1.9632400000e+00  1.0220060000e+00 -1.1586180000e+00
-ENERGY -1.526576662480e+02
-FORCES  1.7761000000e-03  7.1908000000e-03 -1.7757000000e-03 -6.4810000000e-04 -3.2515000000e-03 -3.7823000000e-03 -6.7100000000e-04 -4.1910000000e-03  3.9603000000e-03 -3.1525000000e-03 -4.0389000000e-03 -1.7970000000e-04  2.8530000000e-03 -1.6992000000e-03  2.7742000000e-03 -1.5750000000e-04  5.9897000000e-03 -9.9680000000e-04
-
-JOB 187
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7589000000e-01 -6.4712900000e-01  5.9679300000e-01 -6.2542600000e-01 -4.9571900000e-01 -5.2852300000e-01 -1.5803810000e+00 -1.5892070000e+00  1.5854780000e+00 -2.1936110000e+00 -1.1168210000e+00  1.0224220000e+00 -2.1380720000e+00 -2.0802190000e+00  2.1889020000e+00
-ENERGY -1.526549184314e+02
-FORCES -3.3577000000e-03 -9.8082000000e-03  6.2445000000e-03  2.3016000000e-03  3.6868000000e-03 -3.7628000000e-03 -1.0961000000e-03  3.0682000000e-03  1.6627000000e-03 -2.9159000000e-03  4.1724000000e-03 -1.4762000000e-03  2.4440000000e-03 -4.2648000000e-03  2.2020000000e-04  2.6240000000e-03  3.1456000000e-03 -2.8883000000e-03
-
-JOB 188
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2518000000e-02 -8.5907900000e-01 -4.1588000000e-01 -5.5463100000e-01  5.0743600000e-01 -5.9255800000e-01 -1.7958490000e+00  1.3812240000e+00  1.6550080000e+00 -1.2294690000e+00  8.7074200000e-01  2.2336740000e+00 -1.2500390000e+00  2.1142830000e+00  1.3704940000e+00
-ENERGY -1.526541624583e+02
-FORCES -7.0990000000e-03  1.2979000000e-03 -1.7457000000e-03 -1.1630000000e-03  3.4157000000e-03  2.4172000000e-03  4.6985000000e-03 -1.0684000000e-03  4.6470000000e-04  1.0407100000e-02 -4.7570000000e-03 -1.6114000000e-03 -3.8346000000e-03  3.1654000000e-03  1.0805000000e-03 -3.0090000000e-03 -2.0537000000e-03 -6.0520000000e-04
-
-JOB 189
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3379500000e-01  4.6303300000e-01  6.4567400000e-01  4.2099900000e-01 -7.0222200000e-01  4.9585900000e-01 -2.1048700000e-01  9.3866000000e-02  3.2390890000e+00 -6.8121700000e-01  7.4696700000e-01  3.7568770000e+00  3.5099000000e-02 -5.8185200000e-01  3.8710110000e+00
-ENERGY -1.526578475102e+02
-FORCES -2.2520000000e-04 -8.5940000000e-04  8.9959000000e-03  2.1120000000e-04  2.6550000000e-04 -5.4836000000e-03 -4.4210000000e-04  7.3790000000e-04 -3.9386000000e-03 -4.0970000000e-04 -1.8900000000e-04  5.8499000000e-03  1.8557000000e-03 -2.9616000000e-03 -2.6291000000e-03 -9.8980000000e-04  3.0066000000e-03 -2.7945000000e-03
-
-JOB 190
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4501200000e-01 -7.4849900000e-01  3.9742300000e-01 -5.6265300000e-01 -3.8451000000e-01 -6.7216500000e-01 -1.8233260000e+00  1.5097820000e+00 -1.4511140000e+00 -1.2120840000e+00  1.1311340000e+00 -2.0829690000e+00 -1.2650280000e+00  1.9605710000e+00 -8.1761300000e-01
-ENERGY -1.526560122250e+02
-FORCES -4.5434000000e-03 -2.2762000000e-03 -1.5589000000e-03 -3.1075000000e-03  2.8564000000e-03 -2.4407000000e-03  5.8167000000e-03  1.0811000000e-03  8.3300000000e-05  8.8947000000e-03  7.6920000000e-04  4.5304000000e-03 -3.0344000000e-03 -2.6519000000e-03  3.3728000000e-03 -4.0262000000e-03  2.2140000000e-04 -3.9869000000e-03
-
-JOB 191
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5625300000e-01 -2.5029800000e-01 -5.3072000000e-01 -6.3521800000e-01  3.3753200000e-01 -6.3150700000e-01  1.9059760000e+00  1.6414770000e+00 -1.5733930000e+00  2.5850240000e+00  1.0085320000e+00 -1.3399230000e+00  1.2655980000e+00  1.1336120000e+00 -2.0716110000e+00
-ENERGY -1.526480320368e+02
-FORCES  3.3598000000e-03  5.9796000000e-03 -5.4773000000e-03 -1.3273000000e-03 -4.4780000000e-04 -9.9820000000e-04  2.9134000000e-03 -2.1087000000e-03  1.3951000000e-03 -1.2776000000e-03 -4.3970000000e-03  1.7656000000e-03 -4.8110000000e-03  1.3694000000e-03 -7.3210000000e-04  1.1427000000e-03 -3.9550000000e-04  4.0469000000e-03
-
-JOB 192
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2771900000e-01  7.3663600000e-01  4.3664100000e-01 -6.4521900000e-01 -3.0972900000e-01 -6.3560400000e-01 -1.4748020000e+00 -1.7550550000e+00  1.5007450000e+00 -2.2400830000e+00 -1.9625840000e+00  2.0369430000e+00 -1.0521710000e+00 -1.0274980000e+00  1.9571170000e+00
-ENERGY -1.526531577561e+02
-FORCES -9.2014000000e-03 -4.5121000000e-03 -3.8180000000e-04  1.7673000000e-03 -4.1320000000e-03  1.1644000000e-03  3.6657000000e-03  3.6327000000e-03  3.0260000000e-04  4.8798000000e-03  4.2575000000e-03  1.5832000000e-03  3.5612000000e-03  2.4733000000e-03 -3.4483000000e-03 -4.6726000000e-03 -1.7193000000e-03  7.7990000000e-04
-
-JOB 193
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0674900000e-01  7.0196900000e-01  5.0796300000e-01  5.4126100000e-01  4.5383700000e-01 -6.4598800000e-01  6.4575000000e-02 -3.1560110000e+00 -2.1727500000e-01 -6.6846800000e-01 -2.6542940000e+00  1.3932000000e-01  3.0988700000e-01 -3.7560290000e+00  4.8702000000e-01
-ENERGY -1.526553108729e+02
-FORCES  2.7411000000e-03  4.5520000000e-03 -2.3244000000e-03  1.4317000000e-03 -3.8829000000e-03 -1.8369000000e-03 -2.6066000000e-03 -7.7000000000e-04  3.1795000000e-03 -1.9288000000e-03  3.4214000000e-03  4.4936000000e-03  1.2220000000e-03 -5.6625000000e-03 -9.3310000000e-04 -8.5940000000e-04  2.3419000000e-03 -2.5787000000e-03
-
-JOB 194
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9281600000e-01 -6.0043700000e-01 -4.5197000000e-01 -5.3062600000e-01 -5.6447500000e-01  5.6217000000e-01  1.8951950000e+00  1.6923480000e+00 -1.7576550000e+00  2.4246200000e+00  2.2746260000e+00 -2.3025340000e+00  1.3794710000e+00  1.1822860000e+00 -2.3822330000e+00
-ENERGY -1.526530512453e+02
-FORCES  1.9578000000e-03 -4.2584000000e-03  1.1465000000e-03 -4.0283000000e-03  1.8697000000e-03  4.9940000000e-04  2.4147000000e-03  2.8342000000e-03 -2.2711000000e-03 -1.5311000000e-03  1.1703000000e-03 -4.5008000000e-03 -2.4669000000e-03 -2.3166000000e-03  2.6825000000e-03  3.6538000000e-03  7.0080000000e-04  2.4436000000e-03
-
-JOB 195
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3009700000e-01 -5.2681300000e-01 -6.7358500000e-01 -5.9428700000e-01  5.7193500000e-01 -4.8574100000e-01  1.2838030000e+00  1.8800870000e+00 -1.9373940000e+00  8.2795300000e-01  2.3189600000e+00 -1.2191850000e+00  2.0031370000e+00  1.4113350000e+00 -1.5142370000e+00
-ENERGY -1.526555111008e+02
-FORCES -3.5500000000e-05  1.2709000000e-03 -9.6477000000e-03 -2.0410000000e-04  9.5520000000e-04  4.0849000000e-03  1.8397000000e-03 -2.6600000000e-05  3.9363000000e-03  1.3736000000e-03 -1.6791000000e-03  9.1928000000e-03 -7.6560000000e-04 -1.3805000000e-03 -4.0798000000e-03 -2.2081000000e-03  8.6010000000e-04 -3.4864000000e-03
-
-JOB 196
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0169200000e-01 -5.1877500000e-01  5.3392000000e-01 -5.5276900000e-01 -6.4793800000e-01 -4.3687000000e-01 -1.6051140000e+00 -1.4165650000e+00  1.7848880000e+00 -9.7291800000e-01 -2.0362780000e+00  1.4208580000e+00 -2.1772340000e+00 -1.9522910000e+00  2.3343500000e+00
-ENERGY -1.526491648105e+02
-FORCES -5.3661000000e-03 -5.0559000000e-03  5.6550000000e-03 -2.3034000000e-03 -1.5940000000e-04 -2.6293000000e-03  4.0129000000e-03  5.9950000000e-04  9.1450000000e-04  1.9277000000e-03 -2.7923000000e-03 -1.7570000000e-04 -1.2021000000e-03  3.8742000000e-03 -6.6320000000e-04  2.9310000000e-03  3.5339000000e-03 -3.1013000000e-03
-
-JOB 197
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1288300000e-01 -6.6338700000e-01  4.6162800000e-01 -4.3959300000e-01 -4.8133800000e-01 -7.0093100000e-01 -1.8399400000e+00 -1.5658450000e+00 -1.8775510000e+00 -1.3900310000e+00 -2.0815670000e+00 -2.5467630000e+00 -2.5854320000e+00 -1.1770770000e+00 -2.3350810000e+00
-ENERGY -1.526608153903e+02
-FORCES -4.0224000000e-03 -6.3864000000e-03 -3.3043000000e-03 -1.3930000000e-03  1.9632000000e-03 -1.8479000000e-03  7.4448000000e-03  4.6576000000e-03  5.1084000000e-03 -4.0182000000e-03 -4.8960000000e-04 -4.9021000000e-03 -1.6157000000e-03  2.9724000000e-03  3.6322000000e-03  3.6045000000e-03 -2.7172000000e-03  1.3137000000e-03
-
-JOB 198
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0563800000e-01 -2.9906400000e-01  4.2159200000e-01 -4.5212100000e-01 -8.0516200000e-01 -2.5205700000e-01 -1.4434040000e+00 -1.4593590000e+00  2.0996860000e+00 -9.8203000000e-01 -2.1863590000e+00  1.6815510000e+00 -2.2377860000e+00 -1.8542750000e+00  2.4591710000e+00
-ENERGY -1.526503247689e+02
-FORCES -2.3126000000e-03 -4.9004000000e-03  5.4978000000e-03 -2.8080000000e-03  3.8590000000e-04 -2.3726000000e-03  3.2105000000e-03  1.0978000000e-03 -3.9520000000e-04 -6.2430000000e-04 -3.2842000000e-03 -6.7600000000e-05 -1.1625000000e-03  4.2160000000e-03 -3.9160000000e-04  3.6968000000e-03  2.4850000000e-03 -2.2709000000e-03
-
-JOB 199
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3913600000e-01  4.4966000000e-01 -6.5066900000e-01 -6.5695600000e-01 -4.6841200000e-01 -5.1500600000e-01  1.7186380000e+00  1.4895770000e+00 -1.4617620000e+00  1.2396680000e+00  1.9000110000e+00 -2.1817370000e+00  2.3516600000e+00  2.1524730000e+00 -1.1859310000e+00
-ENERGY -1.526589463863e+02
-FORCES  9.0764000000e-03  6.4036000000e-03 -7.2120000000e-03 -8.6366000000e-03 -5.3293000000e-03  1.2161000000e-03  2.8950000000e-03  2.9528000000e-03 -2.5510000000e-04 -1.8190000000e-03  1.0811000000e-03  5.3184000000e-03  1.4379000000e-03 -3.0503000000e-03  4.5005000000e-03 -2.9537000000e-03 -2.0579000000e-03 -3.5678000000e-03
-
-JOB 200
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3300400000e-01 -3.4543000000e-01 -3.2095900000e-01  2.4184600000e-01  5.6991500000e-01  7.3002700000e-01 -1.6185790000e+00 -1.6826090000e+00 -1.7732550000e+00 -2.2179660000e+00 -1.0150920000e+00 -1.4395060000e+00 -1.2672390000e+00 -2.1035520000e+00 -9.8865400000e-01
-ENERGY -1.526559031105e+02
-FORCES  5.1134000000e-03  5.3220000000e-04 -1.3829000000e-03 -3.3887000000e-03  1.0773000000e-03  3.1257000000e-03 -1.7491000000e-03 -2.6702000000e-03 -3.6671000000e-03  1.5791000000e-03  6.1042000000e-03  8.6533000000e-03 -6.4240000000e-04 -3.4976000000e-03 -2.7370000000e-03 -9.1230000000e-04 -1.5459000000e-03 -3.9919000000e-03
-
-JOB 201
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1596000000e-01  4.8557700000e-01  5.4867200000e-01 -4.9200700000e-01 -1.9635200000e-01 -7.9725000000e-01  4.7236000000e-02 -3.1143680000e+00  2.8498000000e-02 -5.2632000000e-01 -2.6260990000e+00  6.1914100000e-01  4.9611900000e-01 -2.4402990000e+00 -4.8176500000e-01
-ENERGY -1.526565027390e+02
-FORCES -4.3868000000e-03  3.1359000000e-03 -7.5790000000e-04  2.4025000000e-03 -2.9758000000e-03 -2.4669000000e-03  3.3043000000e-03 -1.2505000000e-03  4.2954000000e-03  1.3497000000e-03  9.1979000000e-03  2.5681000000e-03 -4.8030000000e-04 -3.9716000000e-03 -1.7183000000e-03 -2.1894000000e-03 -4.1361000000e-03 -1.9204000000e-03
-
-JOB 202
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1693000000e-01  5.7374500000e-01  5.6553700000e-01 -6.4267300000e-01 -4.0613000000e-01 -5.8160300000e-01  1.4053000000e+00  1.3804910000e+00 -1.9366980000e+00  7.5467900000e-01  1.8271190000e+00 -2.4784070000e+00  8.9803500000e-01  9.9102200000e-01 -1.2244980000e+00
-ENERGY -1.526595248016e+02
-FORCES -2.6625000000e-03  1.6200000000e-05 -8.1940000000e-04  2.6858000000e-03 -2.4440000000e-03 -4.7272000000e-03  3.8709000000e-03  4.5970000000e-03  2.2544000000e-03 -7.6611000000e-03 -5.8534000000e-03  9.8939000000e-03  7.1780000000e-04 -2.3297000000e-03  2.6333000000e-03  3.0491000000e-03  6.0138000000e-03 -9.2350000000e-03
-
-JOB 203
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7388000000e-01 -5.1499600000e-01 -4.4373100000e-01 -3.3272100000e-01  5.9195400000e-01 -6.7462500000e-01  1.7654300000e+00  1.5118670000e+00 -1.8203640000e+00  2.3367450000e+00  2.2416560000e+00 -2.0596100000e+00  1.2818790000e+00  1.3128120000e+00 -2.6221040000e+00
-ENERGY -1.526542465290e+02
-FORCES  6.9392000000e-03  4.9029000000e-03 -6.2963000000e-03 -4.0962000000e-03 -9.7450000000e-04  1.6840000000e-03 -2.1134000000e-03 -3.3583000000e-03  1.1541000000e-03  1.5635000000e-03  3.0460000000e-03 -2.9567000000e-03 -2.8456000000e-03 -3.4457000000e-03  9.9750000000e-04  5.5250000000e-04 -1.7040000000e-04  5.4173000000e-03
-
-JOB 204
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5881900000e-01  6.6814800000e-01  5.0921100000e-01 -6.5508700000e-01 -3.2159200000e-01 -6.1941200000e-01 -1.9289420000e+00  1.4374660000e+00  1.5800540000e+00 -2.2756510000e+00  2.0343990000e+00  9.1695900000e-01 -2.7052370000e+00  1.0864180000e+00  2.0163600000e+00
-ENERGY -1.526587709687e+02
-FORCES -9.4650000000e-03  3.4931000000e-03  5.5966000000e-03  5.8235000000e-03 -5.5030000000e-04 -6.9399000000e-03  1.9629000000e-03  1.0380000000e-03  1.2375000000e-03 -3.9628000000e-03 -2.2034000000e-03  7.1370000000e-04  3.0548000000e-03 -4.7584000000e-03  2.0158000000e-03  2.5866000000e-03  2.9810000000e-03 -2.6236000000e-03
-
-JOB 205
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5642200000e-01  6.1688600000e-01  4.7547600000e-01  5.9522800000e-01  5.5386000000e-01 -5.0514800000e-01  2.0368480000e+00  1.4838280000e+00  1.7982750000e+00  2.7642020000e+00  1.5042980000e+00  2.4201820000e+00  2.3920840000e+00  1.0402400000e+00  1.0280350000e+00
-ENERGY -1.526542023311e+02
-FORCES -9.0100000000e-05  6.8085000000e-03  3.1894000000e-03  4.8760000000e-04 -3.2405000000e-03 -3.5050000000e-03  2.0580000000e-04 -3.0545000000e-03  2.1887000000e-03  3.8181000000e-03 -3.9864000000e-03 -4.2740000000e-04 -3.2422000000e-03 -5.2010000000e-04 -2.6544000000e-03 -1.1792000000e-03  3.9929000000e-03  1.2087000000e-03
-
-JOB 206
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7183800000e-01 -3.4943900000e-01  1.8445400000e-01  1.5510800000e-01  7.2443500000e-01 -6.0610800000e-01 -7.0566000000e-02 -3.4646470000e+00 -1.7215300000e-01 -4.7474700000e-01 -2.8554750000e+00  4.4572900000e-01  5.7510500000e-01 -2.9368100000e+00 -6.4197100000e-01
-ENERGY -1.526555073298e+02
-FORCES  3.7630000000e-03  4.0720000000e-03 -1.9817000000e-03 -4.5306000000e-03 -4.6220000000e-04 -1.4799000000e-03 -2.4650000000e-04 -3.2787000000e-03  2.7468000000e-03 -1.1545000000e-03  6.5550000000e-03 -2.6310000000e-04  2.7326000000e-03 -4.3720000000e-03 -1.3101000000e-03 -5.6390000000e-04 -2.5141000000e-03  2.2880000000e-03
-
-JOB 207
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4919600000e-01 -7.3111700000e-01 -5.6533200000e-01 -8.6391800000e-01 -2.3958700000e-01  3.3537300000e-01  1.5927480000e+00 -1.8451140000e+00  1.2038610000e+00  2.0181980000e+00 -1.2398650000e+00  5.9649100000e-01  9.8165500000e-01 -2.3414620000e+00  6.5940300000e-01
-ENERGY -1.526455697327e+02
-FORCES  1.3181000000e-03 -9.3741000000e-03  6.7715000000e-03  2.7212000000e-03 -8.3600000000e-05  3.2453000000e-03  3.2621000000e-03  6.2630000000e-04 -2.4364000000e-03 -7.2661000000e-03  1.0415000000e-02 -6.4936000000e-03 -6.8970000000e-04 -4.3564000000e-03 -6.4760000000e-04  6.5440000000e-04  2.7728000000e-03 -4.3920000000e-04
-
-JOB 208
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0094800000e-01  4.8575300000e-01  6.5523000000e-01  2.9392200000e-01  6.6705100000e-01 -6.2039100000e-01 -3.4843190000e+00  4.6226000000e-02 -6.4804000000e-02 -4.1958200000e+00  5.5487900000e-01  3.2413100000e-01 -3.1555080000e+00 -4.9454600000e-01  6.5330500000e-01
-ENERGY -1.526544241832e+02
-FORCES -2.6182000000e-03  5.6213000000e-03 -1.6623000000e-03  2.6689000000e-03 -2.8526000000e-03 -9.6320000000e-04 -1.4560000000e-04 -2.5584000000e-03  2.7425000000e-03 -2.0565000000e-03 -2.1003000000e-03  3.6978000000e-03  3.6713000000e-03 -1.7886000000e-03 -1.6595000000e-03 -1.5199000000e-03  3.6787000000e-03 -2.1554000000e-03
-
-JOB 209
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9662400000e-01  1.5683300000e-01  6.3745600000e-01 -2.2732000000e-02  7.6592800000e-01 -5.7364600000e-01 -1.6934630000e+00 -1.5823710000e+00  1.4285340000e+00 -1.3673070000e+00 -2.2433560000e+00  8.1783700000e-01 -2.2641580000e+00 -1.0263460000e+00  8.9808600000e-01
-ENERGY -1.526535266237e+02
-FORCES -3.3367000000e-03 -1.4529000000e-03  6.5415000000e-03 -1.5007000000e-03  2.5300000000e-03 -6.3131000000e-03 -2.2601000000e-03 -4.0498000000e-03  3.2029000000e-03  4.9636000000e-03 -8.2290000000e-04 -1.0365100000e-02 -3.3639000000e-03  1.0604000000e-03  3.8333000000e-03  5.4978000000e-03  2.7352000000e-03  3.1006000000e-03
-
-JOB 210
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3587500000e-01 -8.7723900000e-01  3.5808000000e-01 -5.4944600000e-01 -1.3816900000e-01 -7.7152500000e-01 -1.9552540000e+00 -1.7593590000e+00 -1.6844650000e+00 -2.3794790000e+00 -1.1131230000e+00 -2.2489510000e+00 -2.6496140000e+00 -2.0573600000e+00 -1.0968500000e+00
-ENERGY -1.526584932613e+02
-FORCES -4.0441000000e-03 -8.2825000000e-03 -4.2845000000e-03  5.7620000000e-04  3.4170000000e-03  9.0770000000e-04  2.9395000000e-03  6.0594000000e-03  2.2870000000e-03 -6.2643000000e-03 -6.6640000000e-04  1.4260000000e-04  3.3997000000e-03 -1.8154000000e-03  3.8693000000e-03  3.3929000000e-03  1.2880000000e-03 -2.9221000000e-03
-
-JOB 211
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3067900000e-01 -4.5044700000e-01 -6.5704600000e-01 -4.4668100000e-01 -7.0341400000e-01  4.7108100000e-01  1.6370890000e+00  1.5870840000e+00 -1.9209030000e+00  2.1960360000e+00  9.5838600000e-01 -1.4642320000e+00  2.2441880000e+00  2.1169370000e+00 -2.4375430000e+00
-ENERGY -1.526522485081e+02
-FORCES -5.4380000000e-04 -3.8426000000e-03 -2.7347000000e-03  6.4710000000e-04  1.3687000000e-03  4.3866000000e-03  1.7883000000e-03  3.5268000000e-03 -2.1836000000e-03  4.8114000000e-03  9.5810000000e-04  1.2548000000e-03 -3.7206000000e-03 -9.4000000000e-06 -3.2737000000e-03 -2.9825000000e-03 -2.0015000000e-03  2.5505000000e-03
-
-JOB 212
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8312700000e-01 -1.2095900000e-01  8.1742800000e-01  3.5589400000e-01  8.8651600000e-01  6.0505000000e-02  3.1500280000e+00  2.4126500000e-01  2.7662000000e-01  3.8363180000e+00 -5.2753000000e-02 -3.2237100000e-01  2.7346800000e+00 -5.6584400000e-01  5.8041700000e-01
-ENERGY -1.526574082941e+02
-FORCES  5.2940000000e-04  5.3439000000e-03  2.1265000000e-03  2.9293000000e-03 -8.8000000000e-05 -3.0029000000e-03 -4.2235000000e-03 -3.8142000000e-03  1.5640000000e-04 -8.0780000000e-04 -5.7656000000e-03 -1.9670000000e-03 -2.7089000000e-03  9.8120000000e-04  2.3741000000e-03  4.2816000000e-03  3.3428000000e-03  3.1290000000e-04
-
-JOB 213
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8193300000e-01  5.4328300000e-01  7.6679600000e-01  6.3421600000e-01  5.0617300000e-01 -5.0773100000e-01  3.4781400000e-01  4.4168000000e-02  3.2465860000e+00 -3.3294100000e-01  5.3737300000e-01  3.7043550000e+00  8.5124000000e-01  7.0917100000e-01  2.7769420000e+00
-ENERGY -1.526527213469e+02
-FORCES  7.0190000000e-04  2.4130000000e-03  2.5485000000e-03  2.0928000000e-03  8.8780000000e-04 -4.3318000000e-03 -2.2887000000e-03 -1.9569000000e-03  3.1918000000e-03  1.0278000000e-03  3.1337000000e-03  2.1657000000e-03  2.9393000000e-03 -2.1591000000e-03 -3.4169000000e-03 -4.4731000000e-03 -2.3185000000e-03 -1.5720000000e-04
-
-JOB 214
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1822500000e-01 -4.7039800000e-01  6.5299400000e-01  5.3273400000e-01  6.0989500000e-01  5.1034800000e-01  1.5761490000e+00  1.5372060000e+00  1.6493460000e+00  1.0647400000e+00  2.1698920000e+00  2.1537270000e+00  2.2341710000e+00  1.2149700000e+00  2.2653030000e+00
-ENERGY -1.526601545869e+02
-FORCES  7.6658000000e-03  6.1603000000e-03  1.0280700000e-02  1.3929000000e-03  1.5210000000e-03 -1.3753000000e-03 -6.8869000000e-03 -3.1014000000e-03 -5.7126000000e-03 -7.0650000000e-04 -3.0526000000e-03  6.8740000000e-04  2.3474000000e-03 -4.4335000000e-03 -2.1942000000e-03 -3.8127000000e-03  2.9062000000e-03 -1.6861000000e-03
-
-JOB 215
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7860500000e-01 -5.1978400000e-01  6.4575100000e-01  2.4933300000e-01  7.9589400000e-01  4.6970000000e-01 -1.9622430000e+00 -1.2296350000e+00 -1.6849250000e+00 -1.3054320000e+00 -6.6745600000e-01 -1.2740900000e+00 -1.8432900000e+00 -1.0906140000e+00 -2.6244760000e+00
-ENERGY -1.526609078433e+02
-FORCES -6.6550000000e-04  1.4356000000e-03  4.2941000000e-03  1.3801000000e-03  3.7508000000e-03 -5.4550000000e-03 -8.4660000000e-04 -4.3723000000e-03 -1.0187000000e-03  7.4631000000e-03  5.6822000000e-03  6.7770000000e-04 -7.1539000000e-03 -6.5822000000e-03 -1.4126000000e-03 -1.7720000000e-04  8.5900000000e-05  2.9145000000e-03
-
-JOB 216
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9055100000e-01  7.0683800000e-01 -2.6050300000e-01  5.7190300000e-01 -7.5778300000e-01  1.2216600000e-01  1.9064390000e+00 -1.6315290000e+00  1.4985130000e+00  1.4011060000e+00 -1.6756750000e+00  2.3102530000e+00  2.6305490000e+00 -2.2429180000e+00  1.6330520000e+00
-ENERGY -1.526605757615e+02
-FORCES  8.8590000000e-03 -2.9708000000e-03  2.0577000000e-03 -2.3510000000e-03 -1.6882000000e-03  3.6720000000e-04 -6.4929000000e-03  4.0618000000e-03 -3.1596000000e-03  6.9600000000e-05 -1.4884000000e-03  4.3318000000e-03  3.2448000000e-03 -9.7620000000e-04 -3.8848000000e-03 -3.3294000000e-03  3.0619000000e-03  2.8760000000e-04
-
-JOB 217
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6404100000e-01 -4.6994900000e-01 -6.1419700000e-01 -4.5523700000e-01 -6.8940300000e-01  4.8344000000e-01  1.8253360000e+00  1.8983430000e+00 -1.8590560000e+00  2.3608940000e+00  1.3041660000e+00 -1.3333530000e+00  2.4586740000e+00  2.4552650000e+00 -2.3117730000e+00
-ENERGY -1.526530522896e+02
-FORCES -6.1100000000e-04 -4.5043000000e-03 -1.8219000000e-03 -6.0340000000e-04  1.7116000000e-03  4.0091000000e-03  1.8222000000e-03  3.2606000000e-03 -2.1296000000e-03  4.7062000000e-03  9.9680000000e-04  1.5227000000e-03 -2.3556000000e-03  7.5400000000e-04 -3.6488000000e-03 -2.9583000000e-03 -2.2187000000e-03  2.0686000000e-03
-
-JOB 218
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5428200000e-01 -4.3281900000e-01 -5.4846600000e-01 -7.9253500000e-01  1.2687000000e-02 -5.3661800000e-01 -2.1613070000e+00 -1.7124200000e+00  2.1472550000e+00 -1.5011110000e+00 -2.2951770000e+00  2.5224450000e+00 -1.7176650000e+00 -1.2886880000e+00  1.4125000000e+00
-ENERGY -1.526571843899e+02
-FORCES  2.0268000000e-03  6.0190000000e-04 -6.5998000000e-03 -3.1589000000e-03  1.9547000000e-03  2.5690000000e-03  2.9972000000e-03 -1.8744000000e-03  4.4758000000e-03  6.9937000000e-03  8.8370000000e-04 -1.4498000000e-03 -2.9835000000e-03  1.4056000000e-03 -1.0390000000e-03 -5.8752000000e-03 -2.9715000000e-03  2.0439000000e-03
-
-JOB 219
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1861600000e-01  1.9737800000e-01 -8.3787500000e-01  7.0750900000e-01 -6.0532300000e-01 -2.2191500000e-01  1.8834500000e+00  1.5808360000e+00 -1.6080870000e+00  9.8115200000e-01  1.8488150000e+00 -1.4340840000e+00  1.8081090000e+00  6.8717500000e-01 -1.9426400000e+00
-ENERGY -1.526494341599e+02
-FORCES  5.1796000000e-03 -6.1420000000e-04 -4.4034000000e-03  3.9605000000e-03  2.0765000000e-03  2.3025000000e-03 -3.3704000000e-03  2.1598000000e-03 -7.7680000000e-04 -6.9602000000e-03 -4.2058000000e-03  4.9101000000e-03  1.6806000000e-03 -9.5910000000e-04 -3.7590000000e-03 -4.9020000000e-04  1.5427000000e-03  1.7266000000e-03
-
-JOB 220
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9846500000e-01  8.1489600000e-01  6.0906000000e-02 -5.6744800000e-01 -5.9210700000e-01 -4.9360400000e-01  2.4661950000e+00 -1.2781960000e+00 -1.2030130000e+00  2.5655160000e+00 -7.0975800000e-01 -1.9667180000e+00  1.7540480000e+00 -1.8731780000e+00 -1.4376920000e+00
-ENERGY -1.526500827407e+02
-FORCES -3.1412000000e-03  1.9420000000e-04 -1.6002000000e-03  3.0990000000e-03 -3.4436000000e-03 -5.9520000000e-04  3.3615000000e-03  1.6252000000e-03  1.2946000000e-03 -5.8175000000e-03  2.9650000000e-03 -1.7646000000e-03  2.5330000000e-04 -2.6723000000e-03  2.3640000000e-03  2.2450000000e-03  1.3316000000e-03  3.0140000000e-04
-
-JOB 221
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7657100000e-01 -6.5685700000e-01 -6.7349300000e-01 -5.9786700000e-01 -4.3460000000e-01  6.0820200000e-01  1.8836310000e+00 -1.5921930000e+00 -1.6791520000e+00  2.5701680000e+00 -1.7747510000e+00 -1.0376140000e+00  2.2851510000e+00 -9.7568700000e-01 -2.2914710000e+00
-ENERGY -1.526602908754e+02
-FORCES  1.8107000000e-03 -6.1847000000e-03 -3.7461000000e-03 -6.1974000000e-03  5.2726000000e-03  5.0841000000e-03  2.7612000000e-03  7.5830000000e-04 -2.2261000000e-03  5.9219000000e-03  2.9900000000e-03  1.7005000000e-03 -2.5570000000e-03  1.6460000000e-04 -3.6079000000e-03 -1.7395000000e-03 -3.0008000000e-03  2.7955000000e-03
-
-JOB 222
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3286000000e-01 -2.6524000000e-02  7.9472500000e-01 -5.0033500000e-01 -5.0453100000e-01 -6.4136200000e-01 -1.5760570000e+00 -1.8660610000e+00 -1.9258620000e+00 -2.0278640000e+00 -1.1441580000e+00 -2.3628500000e+00 -2.2329490000e+00 -2.2398260000e+00 -1.3384740000e+00
-ENERGY -1.526593203030e+02
-FORCES -4.6912000000e-03 -5.9775000000e-03 -2.6075000000e-03  1.2718000000e-03 -1.2140000000e-04 -2.9304000000e-03  2.6631000000e-03  8.0397000000e-03  5.7844000000e-03 -6.3591000000e-03 -2.2842000000e-03 -2.4162000000e-03  3.4214000000e-03 -2.8079000000e-03  4.3400000000e-03  3.6940000000e-03  3.1513000000e-03 -2.1702000000e-03
-
-JOB 223
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7181000000e-01 -4.6429000000e-01  3.2400000000e-01  3.4384400000e-01  6.1271600000e-01 -6.5006400000e-01 -2.1020740000e+00  1.7326150000e+00  1.4269240000e+00 -1.5132400000e+00  1.4132400000e+00  7.4318000000e-01 -1.6009630000e+00  2.4129510000e+00  1.8766590000e+00
-ENERGY -1.526577471990e+02
-FORCES  5.7151000000e-03 -2.7939000000e-03  3.3000000000e-04 -2.8114000000e-03  2.2281000000e-03 -2.6168000000e-03 -3.2809000000e-03 -1.2336000000e-03  4.7537000000e-03  7.1166000000e-03 -2.9517000000e-03 -1.7926000000e-03 -5.1353000000e-03  6.8946000000e-03  9.8110000000e-04 -1.6041000000e-03 -2.1436000000e-03 -1.6553000000e-03
-
-JOB 224
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4471800000e-01 -2.1683100000e-01  7.5663600000e-01 -1.3230400000e-01 -8.3558100000e-01 -4.4780800000e-01  3.6524330000e+00  3.0062000000e-02 -7.4124000000e-02  4.3779800000e+00 -4.1926600000e-01  3.5937000000e-01  4.0722400000e+00  7.0660500000e-01 -6.0542700000e-01
-ENERGY -1.526552393833e+02
-FORCES  4.4076000000e-03 -4.1542000000e-03  9.6330000000e-04 -4.4422000000e-03  4.4950000000e-04 -1.8716000000e-03 -3.1190000000e-04  3.0496000000e-03  1.6834000000e-03  4.9377000000e-03  2.1439000000e-03 -1.5756000000e-03 -3.5421000000e-03  1.6540000000e-03 -1.5940000000e-03 -1.0491000000e-03 -3.1428000000e-03  2.3946000000e-03
-
-JOB 225
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1002500000e-01  4.8919000000e-02 -9.3259200000e-01 -7.5223000000e-01 -5.9014400000e-01  4.5957000000e-02 -2.9198920000e+00 -1.4345350000e+00  7.9530200000e-01 -3.2091250000e+00 -1.1166480000e+00  1.6505930000e+00 -3.6539110000e+00 -1.9574900000e+00  4.7286400000e-01
-ENERGY -1.526596704145e+02
-FORCES -4.5509000000e-03 -3.1625000000e-03 -2.6322000000e-03 -6.9890000000e-04 -2.3390000000e-04  3.1482000000e-03  7.5486000000e-03  4.0040000000e-03 -1.4770000000e-03 -5.6025000000e-03 -9.9190000000e-04  3.0408000000e-03  5.6150000000e-04 -1.9731000000e-03 -3.8815000000e-03  2.7422000000e-03  2.3574000000e-03  1.8017000000e-03
-
-JOB 226
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9950000000e-01  8.0114000000e-01 -4.8436200000e-01 -6.0165000000e-02 -6.9681700000e-01 -6.5349700000e-01  1.8589600000e-01  2.1131400000e-01 -3.1493700000e+00  3.5926400000e-01  1.0889810000e+00 -2.8089670000e+00  5.1602700000e-01  2.3273900000e-01 -4.0475830000e+00
-ENERGY -1.526559613552e+02
-FORCES -1.3818000000e-03 -1.1796000000e-03 -7.5927000000e-03  1.8186000000e-03 -6.5830000000e-04  1.2402000000e-03  6.1000000000e-06  1.8585000000e-03  5.6910000000e-03  3.0769000000e-03  3.7196000000e-03 -3.8280000000e-03 -2.2007000000e-03 -3.9431000000e-03  4.4330000000e-04 -1.3191000000e-03  2.0280000000e-04  4.0462000000e-03
-
-JOB 227
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4915000000e-01 -8.2436700000e-01 -3.3874100000e-01  5.4601000000e-01  1.9718200000e-01  7.6106800000e-01  1.3804250000e+00 -1.9697190000e+00 -1.5954600000e+00  1.7928110000e+00 -2.0602260000e+00 -7.3640400000e-01  1.5614110000e+00 -1.0662000000e+00 -1.8545540000e+00
-ENERGY -1.526549359051e+02
-FORCES  2.3422000000e-03 -7.3324000000e-03 -1.9115000000e-03  3.6554000000e-03  6.9205000000e-03  4.3917000000e-03 -6.0650000000e-04 -2.2707000000e-03 -4.1905000000e-03  4.8331000000e-03  4.3890000000e-03 -3.6300000000e-04 -7.2008000000e-03  3.6118000000e-03 -2.0823000000e-03 -3.0235000000e-03 -5.3181000000e-03  4.1557000000e-03
-
-JOB 228
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6544300000e-01 -3.9042300000e-01  7.9388500000e-01 -7.9327800000e-01 -5.0681500000e-01 -1.7343800000e-01  1.7364180000e+00 -1.0943750000e+00 -1.7973320000e+00  1.0408720000e+00 -7.3436200000e-01 -1.2470260000e+00  2.0547810000e+00 -1.8566070000e+00 -1.3137220000e+00
-ENERGY -1.526579443371e+02
-FORCES  1.2643000000e-03 -2.9741000000e-03  1.6017000000e-03 -1.5158000000e-03  3.9510000000e-04 -6.0236000000e-03  7.0285000000e-03  1.2877000000e-03 -5.3220000000e-04 -9.3412000000e-03  6.1840000000e-03  1.1419600000e-02  4.4938000000e-03 -7.6226000000e-03 -6.4447000000e-03 -1.9297000000e-03  2.7299000000e-03 -2.0800000000e-05
-
-JOB 229
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4979000000e-02 -2.2092700000e-01  9.2833200000e-01 -3.7536000000e-02 -8.4335800000e-01 -4.5118700000e-01  1.4138210000e+00 -1.9576120000e+00 -1.4048920000e+00  8.3578300000e-01 -2.5394140000e+00 -9.1132400000e-01  1.8291790000e+00 -1.4101620000e+00 -7.3855300000e-01
-ENERGY -1.526524893273e+02
-FORCES  2.0370000000e-04 -6.2405000000e-03 -4.4811000000e-03  2.3447000000e-03 -1.0783000000e-03 -4.9693000000e-03  1.0999000000e-03 -2.3690000000e-04  6.8204000000e-03  1.6023000000e-03  3.8801000000e-03  6.6794000000e-03 -1.3972000000e-03  7.9565000000e-03 -1.4038000000e-03 -3.8535000000e-03 -4.2809000000e-03 -2.6456000000e-03
-
-JOB 230
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0404200000e-01  6.4311300000e-01  6.7897300000e-01  3.5680700000e-01  5.1786800000e-01 -7.2161900000e-01 -1.6344300000e-01  3.5224510000e+00  2.2230800000e-01  5.8224100000e-01  2.9334170000e+00  3.3731500000e-01  1.3450200000e-01  4.1636400000e+00 -4.2293400000e-01
-ENERGY -1.526540568225e+02
-FORCES -2.2597000000e-03  4.9688000000e-03 -8.3020000000e-04  3.4927000000e-03 -2.7463000000e-03 -2.4967000000e-03  2.5790000000e-04 -1.9345000000e-03  3.6236000000e-03  4.4398000000e-03  2.6039000000e-03 -2.2791000000e-03 -4.7406000000e-03  2.1990000000e-04 -8.1610000000e-04 -1.1902000000e-03 -3.1117000000e-03  2.7985000000e-03
-
-JOB 231
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3211700000e-01 -6.9120800000e-01 -5.7285400000e-01  7.8015200000e-01  3.5196700000e-01  4.2861800000e-01 -1.5469290000e+00  1.6463000000e+00 -1.8636810000e+00 -2.0020060000e+00  1.1429110000e+00 -2.5387630000e+00 -7.6047100000e-01  1.1352590000e+00 -1.6724900000e+00
-ENERGY -1.526561006735e+02
-FORCES  3.3946000000e-03 -1.7835000000e-03  3.1848000000e-03 -2.7285000000e-03  5.7160000000e-03  4.5170000000e-04 -3.9137000000e-03 -1.7614000000e-03 -2.8641000000e-03  3.4912000000e-03 -6.3876000000e-03  4.2349000000e-03  2.2736000000e-03  9.6670000000e-04  2.7029000000e-03 -2.5172000000e-03  3.2498000000e-03 -7.7103000000e-03
-
-JOB 232
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2593200000e-01  5.2820400000e-01 -7.2869800000e-01 -6.4863400000e-01 -5.8164000000e-01 -3.9648700000e-01  1.6689160000e+00 -1.7853960000e+00 -1.0808820000e+00  1.2622270000e+00 -1.6358270000e+00 -1.9343830000e+00  1.1923910000e+00 -1.2088110000e+00 -4.8363300000e-01
-ENERGY -1.526539241318e+02
-FORCES  1.5214000000e-03 -3.2765000000e-03 -7.3702000000e-03  1.5540000000e-04 -6.8101000000e-03  3.1634000000e-03  7.5626000000e-03  1.2636000000e-03  8.2180000000e-04 -1.0964900000e-02  1.2127300000e-02  7.8072000000e-03 -4.0330000000e-04  1.2340000000e-03  3.3667000000e-03  2.1288000000e-03 -4.5382000000e-03 -7.7889000000e-03
-
-JOB 233
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5635600000e-01 -4.9629600000e-01  6.0032500000e-01 -3.5960500000e-01 -6.5881500000e-01 -5.9403600000e-01  1.7251970000e+00 -1.7496800000e+00  1.2082170000e+00  1.3498230000e+00 -2.4634500000e+00  1.7238320000e+00  2.0378920000e+00 -1.1217940000e+00  1.8595330000e+00
-ENERGY -1.526577672969e+02
-FORCES  9.1260000000e-03 -1.3776600000e-02  3.5146000000e-03 -3.1787000000e-03  8.8252000000e-03  1.7921000000e-03 -2.2650000000e-04  2.0287000000e-03  1.3415000000e-03 -1.7356000000e-03  4.7330000000e-04  1.6300000000e-03  1.6777000000e-03  4.3671000000e-03 -2.9560000000e-03 -5.6629000000e-03 -1.9177000000e-03 -5.3221000000e-03
-
-JOB 234
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1391300000e-01  7.5025200000e-01 -2.9874300000e-01  6.9675400000e-01  3.8324300000e-01  5.3281300000e-01  1.5968490000e+00  1.4596940000e+00  1.7726510000e+00  7.0854000000e-01  1.6103240000e+00  2.0958400000e+00  1.8533660000e+00  2.2933510000e+00  1.3783840000e+00
-ENERGY -1.526581578248e+02
-FORCES  8.7466000000e-03  7.8474000000e-03  5.5878000000e-03  1.7594000000e-03 -1.5323000000e-03  2.3422000000e-03 -9.2123000000e-03 -3.0795000000e-03 -3.4650000000e-03 -2.8165000000e-03  3.5832000000e-03 -5.9700000000e-05  4.3576000000e-03 -2.1573000000e-03 -5.8318000000e-03 -2.8348000000e-03 -4.6615000000e-03  1.4266000000e-03
-
-JOB 235
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3348400000e-01 -5.9153200000e-01  1.6829500000e-01 -1.3252600000e-01 -4.5386000000e-02 -9.4689400000e-01  1.8775540000e+00 -1.0884800000e+00 -2.2798580000e+00  2.4730620000e+00 -1.7072770000e+00 -2.7025770000e+00  1.6026450000e+00 -5.0095800000e-01 -2.9837580000e+00
-ENERGY -1.526573558368e+02
-FORCES  5.5897000000e-03 -4.8640000000e-03 -5.5558000000e-03 -3.6119000000e-03  2.3780000000e-03  2.9387000000e-03 -1.9042000000e-03  2.5858000000e-03  2.3137000000e-03  2.4924000000e-03 -2.8090000000e-04 -5.2448000000e-03 -2.4887000000e-03  3.0248000000e-03  1.8108000000e-03 -7.7300000000e-05 -2.8437000000e-03  3.7374000000e-03
-
-JOB 236
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3197400000e-01  7.7201900000e-01  1.9292800000e-01  8.2248200000e-01  3.5378800000e-01 -3.3850900000e-01  1.5849250000e+00  1.8300490000e+00 -1.2982220000e+00  2.2049310000e+00  2.5588260000e+00 -1.3248470000e+00  1.8306580000e+00  1.2786470000e+00 -2.0410560000e+00
-ENERGY -1.526581048937e+02
-FORCES  5.6775000000e-03  1.2961400000e-02 -3.7612000000e-03 -5.1170000000e-04 -3.1424000000e-03  8.5740000000e-04 -1.1369000000e-03 -7.1159000000e-03 -1.6320000000e-03  3.4870000000e-04 -8.4760000000e-04 -6.3020000000e-04 -3.4869000000e-03 -3.4684000000e-03 -1.0396000000e-03 -8.9060000000e-04  1.6129000000e-03  6.2055000000e-03
-
-JOB 237
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9517800000e-01  5.0441500000e-01 -7.5806800000e-01 -5.2506400000e-01 -7.0826300000e-01 -3.7269800000e-01 -1.8537500000e-01 -3.0436310000e+00  2.2655000000e-02 -8.4248900000e-01 -2.8810920000e+00  6.9942300000e-01 -5.2249400000e-01 -3.7962090000e+00 -4.6335800000e-01
-ENERGY -1.526562985422e+02
-FORCES  8.3930000000e-04 -4.9777000000e-03 -5.0961000000e-03 -1.1772000000e-03 -1.8499000000e-03  2.5901000000e-03 -1.4219000000e-03  6.5987000000e-03  2.5447000000e-03 -2.0933000000e-03 -4.3835000000e-03  3.2523000000e-03  2.2636000000e-03  5.1300000000e-04 -5.2398000000e-03  1.5893000000e-03  4.0994000000e-03  1.9489000000e-03
-
-JOB 238
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6825300000e-01  4.0293300000e-01 -6.5648000000e-01 -5.7592900000e-01 -5.7634700000e-01 -5.0235600000e-01  1.7760030000e+00 -1.7727680000e+00  1.6358190000e+00  1.6111270000e+00 -1.9278180000e+00  7.0576200000e-01  2.6665930000e+00 -2.0933320000e+00  1.7783720000e+00
-ENERGY -1.526526063365e+02
-FORCES -6.9100000000e-04  1.6133000000e-03 -3.0008000000e-03 -2.0204000000e-03 -2.9193000000e-03  2.9168000000e-03  4.0907000000e-03  1.3172000000e-03  2.6451000000e-03 -1.4210000000e-04  2.9850000000e-04 -4.6783000000e-03  2.5857000000e-03 -2.6629000000e-03  3.2263000000e-03 -3.8229000000e-03  2.3532000000e-03 -1.1093000000e-03
-
-JOB 239
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6894900000e-01 -7.4358500000e-01 -3.7868300000e-01  5.9983000000e-01  3.5239700000e-01  6.5745900000e-01 -3.2761300000e-01 -3.4299000000e-02 -3.4851950000e+00 -1.1456920000e+00 -4.9017900000e-01 -3.2873250000e+00 -2.3537700000e-01  6.0908000000e-01 -2.7824940000e+00
-ENERGY -1.526581311294e+02
-FORCES  4.8412000000e-03 -2.5411000000e-03  2.7681000000e-03 -2.4363000000e-03  3.8188000000e-03  2.0686000000e-03 -2.3838000000e-03 -1.5948000000e-03 -2.9723000000e-03 -3.8847000000e-03  2.0737000000e-03  4.7960000000e-03  3.4586000000e-03  1.0016000000e-03 -1.3339000000e-03  4.0490000000e-04 -2.7583000000e-03 -5.3265000000e-03
-
-JOB 240
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0348300000e-01 -5.0519700000e-01 -5.4480800000e-01 -2.5537800000e-01  7.4149300000e-01 -5.4881800000e-01  9.8318000000e-02 -6.2540000000e-03  3.1021100000e+00  7.1172100000e-01  7.0671200000e-01  2.9242090000e+00 -2.1684000000e-01 -2.7280000000e-01  2.2384770000e+00
-ENERGY -1.526602000077e+02
-FORCES  1.2425000000e-03  9.4850000000e-04 -5.1479000000e-03 -2.7932000000e-03  2.8824000000e-03  2.0459000000e-03  1.9074000000e-03 -3.4290000000e-03  2.0540000000e-03  1.2202000000e-03  1.9754000000e-03 -9.0538000000e-03 -1.4231000000e-03 -1.5839000000e-03  2.2893000000e-03 -1.5380000000e-04 -7.9350000000e-04  7.8126000000e-03
-
-JOB 241
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6861200000e-01  1.0727800000e-01  5.6032100000e-01 -6.6981900000e-01 -3.6439900000e-01  5.7860900000e-01  2.0616010000e+00 -1.1714060000e+00  1.9798050000e+00  2.5144420000e+00 -1.9627200000e+00  1.6882760000e+00  2.5831020000e+00 -8.5433400000e-01  2.7171880000e+00
-ENERGY -1.526597472000e+02
-FORCES  3.4954000000e-03 -3.4504000000e-03  7.6406000000e-03 -4.7756000000e-03  3.7171000000e-03 -4.9328000000e-03  8.7420000000e-04  1.5203000000e-03 -2.6995000000e-03  4.3097000000e-03 -3.9656000000e-03  1.1372000000e-03 -1.4353000000e-03  3.5579000000e-03  2.4647000000e-03 -2.4685000000e-03 -1.3792000000e-03 -3.6102000000e-03
-
-JOB 242
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0708500000e-01  4.9063200000e-01  4.1897900000e-01  4.5852800000e-01  6.4867000000e-01 -5.3405100000e-01  1.5376760000e+00 -1.7789700000e+00  1.9081990000e+00  2.1306140000e+00 -1.2302340000e+00  2.4215660000e+00  1.5263110000e+00 -1.3739840000e+00  1.0409680000e+00
-ENERGY -1.526573665745e+02
-FORCES -4.1566000000e-03  4.1763000000e-03  1.8487000000e-03  3.0521000000e-03 -9.9280000000e-04 -3.1100000000e-03 -7.2780000000e-04 -3.6454000000e-03  3.4379000000e-03 -1.4890000000e-03  6.4062000000e-03 -4.5094000000e-03 -2.1248000000e-03 -1.6619000000e-03 -1.7394000000e-03  5.4460000000e-03 -4.2823000000e-03  4.0722000000e-03
-
-JOB 243
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4259500000e-01  2.6210900000e-01 -6.5924400000e-01 -6.0429500000e-01 -5.7519100000e-01 -4.6927100000e-01 -2.0355630000e+00  1.2734520000e+00 -2.4360740000e+00 -2.3922920000e+00  2.0665400000e+00 -2.8360590000e+00 -1.8077240000e+00  1.5360690000e+00 -1.5442480000e+00
-ENERGY -1.526582540313e+02
-FORCES  1.5742000000e-03 -3.6492000000e-03 -5.2007000000e-03 -2.7179000000e-03 -3.7130000000e-04  3.5083000000e-03  2.3844000000e-03  3.3772000000e-03  3.1770000000e-03 -1.0763000000e-03  4.7949000000e-03  2.3668000000e-03  1.6936000000e-03 -2.9522000000e-03  1.9124000000e-03 -1.8580000000e-03 -1.1995000000e-03 -5.7638000000e-03
-
-JOB 244
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3642800000e-01  2.2011700000e-01  6.8025000000e-01  3.1443400000e-01  8.4652100000e-01 -3.1743400000e-01 -1.9149340000e+00 -1.1543820000e+00 -2.1013710000e+00 -2.5457850000e+00 -1.1044230000e+00 -2.8195370000e+00 -1.4612000000e+00 -3.1179500000e-01 -2.1214610000e+00
-ENERGY -1.526544262431e+02
-FORCES -1.3612000000e-03  2.4450000000e-03  4.3435000000e-03  3.3326000000e-03 -1.5490000000e-04 -3.0431000000e-03 -2.8665000000e-03 -4.2538000000e-03 -6.3970000000e-04  2.1620000000e-03  3.7683000000e-03 -9.2140000000e-04  2.9015000000e-03  2.5380000000e-04  3.5255000000e-03 -4.1684000000e-03 -2.0585000000e-03 -3.2648000000e-03
-
-JOB 245
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2871100000e-01 -7.0972900000e-01  4.7825000000e-01 -2.0297700000e-01  7.8699700000e-01  5.0563600000e-01  1.8892780000e+00 -1.7012130000e+00 -7.1203200000e-01  2.2428380000e+00 -1.7369780000e+00 -1.6008210000e+00  1.2439430000e+00 -9.9476900000e-01 -7.3871400000e-01
-ENERGY -1.526594565803e+02
-FORCES  5.8637000000e-03 -3.6162000000e-03  1.7327000000e-03  2.5378000000e-03  4.4956000000e-03 -2.9528000000e-03 -8.0010000000e-04 -4.4894000000e-03 -1.0727000000e-03 -7.6973000000e-03  1.0417000000e-02  1.7708000000e-03 -2.1646000000e-03  1.9809000000e-03  2.6113000000e-03  2.2606000000e-03 -8.7880000000e-03 -2.0893000000e-03
-
-JOB 246
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2975600000e-01 -7.3837500000e-01 -5.1214800000e-01  7.2011400000e-01  2.2377600000e-01  5.8956900000e-01 -2.3657130000e+00  1.1849260000e+00 -1.1760520000e+00 -1.4224780000e+00  1.1010320000e+00 -1.3157000000e+00 -2.6804920000e+00  1.6620290000e+00 -1.9438530000e+00
-ENERGY -1.526574493103e+02
-FORCES  3.3037000000e-03 -2.8292000000e-03  2.8872000000e-03 -1.5142000000e-03  4.5562000000e-03  1.4873000000e-03 -3.1111000000e-03 -1.5579000000e-03 -2.8303000000e-03  5.8235000000e-03 -3.3910000000e-04  3.2080000000e-04 -6.7588000000e-03  2.3089000000e-03 -4.8453000000e-03  2.2570000000e-03 -2.1389000000e-03  2.9802000000e-03
-
-JOB 247
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3465700000e-01 -4.2128700000e-01  4.4612600000e-01  2.5264400000e-01  7.1857800000e-01  5.7969700000e-01 -1.6936130000e+00 -1.3117490000e+00  1.6019400000e+00 -2.4037110000e+00 -9.1665300000e-01  2.1077970000e+00 -1.2063400000e+00 -1.8336390000e+00  2.2394570000e+00
-ENERGY -1.526593320447e+02
-FORCES -1.0761400000e-02 -6.1652000000e-03  1.1530300000e-02  5.0090000000e-03  4.0919000000e-03 -5.8143000000e-03 -8.3870000000e-04 -2.0178000000e-03 -9.8500000000e-04  5.7504000000e-03  2.7130000000e-03 -1.1171000000e-03  4.6584000000e-03 -1.8753000000e-03 -1.6349000000e-03 -3.8176000000e-03  3.2535000000e-03 -1.9789000000e-03
-
-JOB 248
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9986600000e-01 -3.3275500000e-01  8.0350000000e-01  1.9252500000e-01 -6.6774700000e-01 -6.5824000000e-01  1.8685850000e+00 -1.3902320000e+00 -1.4446680000e+00  1.6686410000e+00 -2.0376470000e+00 -7.6857000000e-01  2.4466750000e+00 -7.6196400000e-01 -1.0118600000e+00
-ENERGY -1.526531184857e+02
-FORCES  8.7024000000e-03 -7.7946000000e-03 -7.0878000000e-03  4.1810000000e-04  3.6450000000e-04 -3.5354000000e-03 -3.7705000000e-03 -3.9340000000e-04  6.6054000000e-03  8.3570000000e-04  5.9861000000e-03  7.5008000000e-03 -3.8747000000e-03  6.2763000000e-03 -2.0216000000e-03 -2.3111000000e-03 -4.4390000000e-03 -1.4613000000e-03
-
-JOB 249
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6447400000e-01  6.0684200000e-01  4.7889900000e-01 -6.0394200000e-01 -5.2904500000e-01 -5.2115000000e-01  1.7231750000e+00 -1.4583850000e+00 -1.5916590000e+00  1.5381750000e+00 -8.5279500000e-01 -8.7383800000e-01  2.6085550000e+00 -1.2308240000e+00 -1.8754740000e+00
-ENERGY -1.526608115955e+02
-FORCES -2.4674000000e-03 -1.0020000000e-03 -2.0363000000e-03  8.7890000000e-04 -3.0305000000e-03 -2.8714000000e-03  2.8428000000e-03  3.5063000000e-03  3.9578000000e-03 -8.3090000000e-04  6.2914000000e-03  5.0467000000e-03  2.4324000000e-03 -5.8733000000e-03 -5.8404000000e-03 -2.8558000000e-03  1.0800000000e-04  1.7437000000e-03
-
-JOB 250
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7736000000e-01 -3.3929300000e-01 -5.8506100000e-01  4.5602300000e-01  6.3494100000e-01  5.5238100000e-01  2.1418740000e+00  1.7223470000e+00  1.4136470000e+00  1.3847650000e+00  2.2016710000e+00  1.7501950000e+00  2.4737710000e+00  2.2679630000e+00  7.0064000000e-01
-ENERGY -1.526577443155e+02
-FORCES  9.7472000000e-03  1.9129000000e-03  2.3601000000e-03 -3.0932000000e-03  8.0680000000e-04  6.4580000000e-04 -7.9320000000e-03 -1.4110000000e-04 -1.9060000000e-03  1.5491000000e-03  6.2702000000e-03 -1.0290000000e-04  1.9660000000e-03 -5.4312000000e-03 -4.2331000000e-03 -2.2372000000e-03 -3.4176000000e-03  3.2362000000e-03
-
-JOB 251
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7366100000e-01 -4.2621400000e-01  3.6881200000e-01 -2.5872800000e-01  9.1523100000e-01 -1.0791000000e-01  2.1469180000e+00 -1.1946870000e+00  9.7045900000e-01  1.5853900000e+00 -5.5702400000e-01  5.2966100000e-01  2.8180660000e+00 -6.6576300000e-01  1.4017730000e+00
-ENERGY -1.526591246115e+02
-FORCES  2.6162000000e-03 -4.8407000000e-03  5.5525000000e-03  2.2922000000e-03  4.1084000000e-03 -2.7682000000e-03  1.2855000000e-03 -4.5921000000e-03  1.5265000000e-03 -1.1283800000e-02  8.1094000000e-03 -5.2604000000e-03  8.4822000000e-03 -2.9532000000e-03  2.9474000000e-03 -3.3923000000e-03  1.6820000000e-04 -1.9978000000e-03
-
-JOB 252
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6570600000e-01  4.8185300000e-01  4.9080100000e-01  6.5350200000e-01 -2.4219900000e-01  6.5613000000e-01  2.6933750000e+00 -6.0676300000e-01  3.1301500000e-01  2.8367600000e+00 -1.5498630000e+00  3.9198100000e-01  3.5411150000e+00 -2.5729900000e-01  3.8346000000e-02
-ENERGY -1.526569292240e+02
-FORCES  6.9919000000e-03 -1.6330000000e-04  3.2628000000e-03  3.7494000000e-03 -1.4850000000e-03 -1.3855000000e-03 -8.1917000000e-03 -8.8180000000e-04  2.7380000000e-04  1.8150000000e-03  4.3860000000e-04 -3.7430000000e-03 -1.4535000000e-03  4.6981000000e-03  4.2980000000e-04 -2.9110000000e-03 -2.6065000000e-03  1.1621000000e-03
-
-JOB 253
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1462100000e-01 -7.1846400000e-01  4.7763000000e-01 -5.0674700000e-01  4.6832200000e-01  6.6341100000e-01 -1.3449620000e+00  1.2156910000e+00  2.0012510000e+00 -9.9690800000e-01  9.7709000000e-01  2.8604130000e+00 -2.2118430000e+00  8.1080700000e-01  1.9726180000e+00
-ENERGY -1.526590463223e+02
-FORCES -6.8593000000e-03  7.0354000000e-03  1.4138200000e-02 -1.5579000000e-03  2.1911000000e-03 -2.9060000000e-04  2.6660000000e-03 -6.0119000000e-03 -7.9652000000e-03  1.8465000000e-03 -4.2907000000e-03 -6.3640000000e-04 -2.3153000000e-03  3.9400000000e-05 -4.9453000000e-03  6.2200000000e-03  1.0366000000e-03 -3.0070000000e-04
-
-JOB 254
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8295400000e-01  3.0823500000e-01  5.9564900000e-01 -4.7186800000e-01 -4.9132800000e-01 -6.7243500000e-01  2.3407010000e+00 -8.3052900000e-01  1.2991500000e+00  3.2170580000e+00 -5.1449000000e-01  1.0792640000e+00  1.7693110000e+00 -4.2796600000e-01  6.4517100000e-01
-ENERGY -1.526610816303e+02
-FORCES -2.3762000000e-03 -2.2731000000e-03  2.9517000000e-03  1.8434000000e-03 -1.4757000000e-03 -4.0788000000e-03  1.3960000000e-03  2.6698000000e-03  3.2893000000e-03 -6.5411000000e-03  3.7127000000e-03 -5.4423000000e-03 -3.8195000000e-03 -3.8980000000e-04 -4.3540000000e-04  9.4974000000e-03 -2.2439000000e-03  3.7156000000e-03
-
-JOB 255
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1541000000e-01 -6.9281400000e-01 -2.3981500000e-01  4.4073800000e-01 -3.3083600000e-01  7.8264300000e-01  1.3310610000e+00 -2.1544080000e+00 -1.5563310000e+00  5.4788900000e-01 -1.6978970000e+00 -1.8636930000e+00  2.0466370000e+00 -1.5400160000e+00 -1.7197460000e+00
-ENERGY -1.526541047498e+02
-FORCES  2.4761000000e-03 -8.7327000000e-03  2.6638000000e-03  2.1911000000e-03  2.8419000000e-03 -2.4596000000e-03 -2.2234000000e-03  3.0297000000e-03 -2.1588000000e-03 -6.7110000000e-04  1.0409400000e-02  2.5100000000e-04 -4.3690000000e-04 -3.6484000000e-03  1.6619000000e-03 -1.3358000000e-03 -3.8998000000e-03  4.1700000000e-05
-
-JOB 256
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8783600000e-01  2.1532500000e-01 -2.8568300000e-01 -2.6676000000e-02  8.7352000000e-02  9.5283300000e-01 -2.1005620000e+00  9.2268500000e-01  1.8648980000e+00 -2.5257500000e+00  9.6669200000e-01  2.7213500000e+00 -2.7292290000e+00  4.6325000000e-01  1.3081840000e+00
-ENERGY -1.526566074035e+02
-FORCES -6.4908000000e-03  4.5359000000e-03  6.9722000000e-03  8.3040000000e-04 -2.2197000000e-03 -1.0429000000e-03  3.9880000000e-03 -2.6719000000e-03 -4.0582000000e-03 -4.8646000000e-03 -1.3097000000e-03  1.1461000000e-03  2.1208000000e-03 -5.5150000000e-04 -4.0426000000e-03  4.4161000000e-03  2.2168000000e-03  1.0254000000e-03
-
-JOB 257
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8404900000e-01  7.3188100000e-01  5.4763000000e-01 -3.5220000000e-02  3.6223400000e-01 -8.8531200000e-01  1.7120120000e+00 -1.8594180000e+00 -1.2141190000e+00  1.8176980000e+00 -1.5338500000e+00 -2.1080260000e+00  1.3344400000e+00 -1.1227630000e+00 -7.3348400000e-01
-ENERGY -1.526571722868e+02
-FORCES -1.2636000000e-03  3.2014000000e-03 -9.6240000000e-04 -8.5340000000e-04 -4.1792000000e-03 -3.8004000000e-03  4.5112000000e-03 -4.2606000000e-03  4.3842000000e-03 -6.3104000000e-03  7.6222000000e-03  5.1156000000e-03 -1.8838000000e-03  5.9860000000e-04  3.5481000000e-03  5.8000000000e-03 -2.9824000000e-03 -8.2851000000e-03
-
-JOB 258
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5320000000e-03 -9.3081000000e-01  2.2312000000e-01 -7.7293000000e-02  4.4910800000e-01  8.4176000000e-01 -2.1356180000e+00  1.5804540000e+00  2.4116590000e+00 -2.8456840000e+00  1.9471810000e+00  2.9384880000e+00 -1.7545450000e+00  2.3355980000e+00  1.9635820000e+00
-ENERGY -1.526560816413e+02
-FORCES -2.0927000000e-03 -2.5293000000e-03  5.6693000000e-03  6.3700000000e-04  3.2373000000e-03 -1.3984000000e-03  2.2768000000e-03 -4.2330000000e-04 -4.8064000000e-03 -3.3975000000e-03  5.0870000000e-03  5.8160000000e-04  2.8992000000e-03 -1.2634000000e-03 -2.3189000000e-03 -3.2280000000e-04 -4.1084000000e-03  2.2728000000e-03
-
-JOB 259
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0195100000e-01  3.0692900000e-01  6.7799800000e-01 -5.5967800000e-01 -4.5321400000e-01 -6.3054700000e-01 -2.3546380000e+00  1.1453170000e+00  6.2873200000e-01 -2.2385640000e+00  1.5245430000e+00  1.4999080000e+00 -3.2090950000e+00  1.4654680000e+00  3.3953000000e-01
-ENERGY -1.526537911213e+02
-FORCES -1.6092600000e-02  4.5865000000e-03 -6.2650000000e-04  3.6607000000e-03  7.7230000000e-04  5.6680000000e-03  3.5328000000e-03 -5.4330000000e-04 -9.7200000000e-05  2.8342000000e-03  3.7220000000e-04 -1.5868000000e-03  1.9453000000e-03 -3.9527000000e-03 -4.9476000000e-03  4.1195000000e-03 -1.2350000000e-03  1.5901000000e-03
-
-JOB 260
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6785200000e-01 -5.3162200000e-01  7.4957700000e-01 -8.1851700000e-01  3.5364300000e-01 -3.4813400000e-01 -1.7624160000e+00  1.1940680000e+00 -1.5082510000e+00 -2.2376070000e+00  1.9789440000e+00 -1.7810040000e+00 -2.3791560000e+00  4.7693700000e-01 -1.6551750000e+00
-ENERGY -1.526557305031e+02
-FORCES -8.8975000000e-03  8.7976000000e-03 -6.8003000000e-03 -1.6998000000e-03  2.3581000000e-03 -3.7553000000e-03  4.4410000000e-04 -8.9277000000e-03  2.6107000000e-03  4.2837000000e-03 -6.9240000000e-04  3.7270000000e-03  1.2308000000e-03 -5.1108000000e-03 -1.8440000000e-04  4.6387000000e-03  3.5751000000e-03  4.4023000000e-03
-
-JOB 261
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4937300000e-01 -3.1329200000e-01  5.0647800000e-01  2.8639100000e-01 -5.5560000000e-02 -9.1166100000e-01  1.8890900000e+00 -8.7022900000e-01  1.6769390000e+00  1.6331860000e+00 -1.5852460000e+00  2.2596030000e+00  2.4391410000e+00 -1.2865670000e+00  1.0133590000e+00
-ENERGY -1.526573051989e+02
-FORCES  1.1422400000e-02 -4.3015000000e-03  1.0641100000e-02 -3.6241000000e-03  9.4090000000e-04 -1.0619900000e-02  1.6151000000e-03 -1.2180000000e-03  4.1080000000e-03 -5.2765000000e-03 -2.4862000000e-03 -1.6718000000e-03  2.6187000000e-03  3.3644000000e-03 -3.5322000000e-03 -6.7557000000e-03  3.7003000000e-03  1.0750000000e-03
-
-JOB 262
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5460600000e-01  3.8344600000e-01 -6.7942100000e-01 -5.8138600000e-01 -5.9000500000e-01  4.7970400000e-01 -2.1346390000e+00  1.1683910000e+00 -1.0490950000e+00 -2.3806840000e+00  1.5017240000e+00 -1.8620200000e-01 -2.0553900000e+00  1.9507110000e+00 -1.5949220000e+00
-ENERGY -1.526577379505e+02
-FORCES -1.6282200000e-02  4.9044000000e-03 -8.2073000000e-03  7.6251000000e-03 -1.5585000000e-03  2.3722000000e-03  1.3291000000e-03  2.3993000000e-03  8.7100000000e-05  5.3371000000e-03  4.8510000000e-04  6.9487000000e-03  8.2220000000e-04 -2.0060000000e-03 -4.8410000000e-03  1.1686000000e-03 -4.2242000000e-03  3.6403000000e-03
-
-JOB 263
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4508100000e-01  1.9972700000e-01 -7.6107000000e-01 -3.9942700000e-01  4.9237500000e-01  7.1711700000e-01  1.9021100000e+00 -1.8386640000e+00 -8.3788400000e-01  9.6738200000e-01 -1.7559470000e+00 -6.4901000000e-01  1.9645840000e+00 -2.6035610000e+00 -1.4099520000e+00
-ENERGY -1.526565198145e+02
-FORCES -6.8400000000e-04  3.4309000000e-03  2.7530000000e-04  2.3789000000e-03 -2.9120000000e-03  3.7620000000e-03  1.7073000000e-03 -1.5166000000e-03 -3.8878000000e-03 -5.8439000000e-03  2.4209000000e-03  2.7969000000e-03  4.1042000000e-03 -5.1967000000e-03 -4.9709000000e-03 -1.6626000000e-03  3.7734000000e-03  2.0246000000e-03
-
-JOB 264
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0935200000e-01  6.0505700000e-01  6.1852100000e-01  2.7015900000e-01  5.5273500000e-01 -7.3330100000e-01  2.6363110000e+00 -1.1893160000e+00  4.8917200000e-01  2.1940400000e+00 -5.9818100000e-01  1.0984240000e+00  1.9825120000e+00 -1.3713800000e+00 -1.8583200000e-01
-ENERGY -1.526573659163e+02
-FORCES -3.1230000000e-04  4.2597000000e-03 -5.7780000000e-04  3.0948000000e-03 -2.5701000000e-03 -2.4614000000e-03 -6.2970000000e-04 -3.5612000000e-03  3.6229000000e-03 -1.1757300000e-02  3.4908000000e-03 -3.9170000000e-04  4.6467000000e-03 -7.2800000000e-04  1.1044000000e-03  4.9578000000e-03 -8.9120000000e-04 -1.2964000000e-03
-
-JOB 265
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1804500000e-01  7.1458900000e-01 -4.8045000000e-01  7.0630000000e-01 -3.8670800000e-01  5.1752200000e-01  1.4272370000e+00 -1.3548120000e+00 -2.3707820000e+00  1.6777950000e+00 -6.0793800000e-01 -1.8270610000e+00  1.5630040000e+00 -1.0538550000e+00 -3.2692390000e+00
-ENERGY -1.526503538125e+02
-FORCES  2.9350000000e-03 -4.2600000000e-04 -3.0580000000e-04  4.4410000000e-04 -4.5331000000e-03  5.8550000000e-04 -2.3274000000e-03  2.4861000000e-03 -3.4943000000e-03 -9.0720000000e-04  4.2501000000e-03  2.8910000000e-04  9.7280000000e-04 -1.0406000000e-03 -1.3429000000e-03 -1.1173000000e-03 -7.3650000000e-04  4.2683000000e-03
-
-JOB 266
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5566400000e-01 -1.1246000000e-02  5.3034000000e-02 -2.6074200000e-01  7.5519800000e-01  5.2718200000e-01  2.4689610000e+00 -7.7960000000e-02  5.4657200000e-01  3.0392190000e+00 -3.8857900000e-01 -1.5667200000e-01  3.0696230000e+00  1.8879000000e-01  1.2424760000e+00
-ENERGY -1.526540276101e+02
-FORCES  2.2358700000e-02  1.8445000000e-03  7.9046000000e-03 -1.1669000000e-03 -2.0261000000e-03 -5.8627000000e-03  8.7140000000e-04 -1.7575000000e-03 -5.5460000000e-04 -1.7108200000e-02  1.7726000000e-03 -9.0860000000e-04 -3.9351000000e-03  2.1329000000e-03  4.2458000000e-03 -1.0199000000e-03 -1.9664000000e-03 -4.8244000000e-03
-
-JOB 267
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8450100000e-01  6.4815800000e-01 -1.6607500000e-01 -3.9945700000e-01 -6.1991300000e-01  6.1022400000e-01 -1.6922750000e+00 -1.3427930000e+00  1.6324260000e+00 -1.4083540000e+00 -1.1367720000e+00  2.5230300000e+00 -2.4031200000e+00 -7.2583100000e-01  1.4583880000e+00
-ENERGY -1.526572090282e+02
-FORCES -1.2401300000e-02 -8.3977000000e-03  9.3939000000e-03  8.9660000000e-04 -1.6653000000e-03  1.0491000000e-03  6.4886000000e-03  5.8833000000e-03 -3.4357000000e-03  1.4680000000e-04  6.0018000000e-03 -9.1080000000e-04 -5.2440000000e-04  3.1700000000e-05 -6.2858000000e-03  5.3938000000e-03 -1.8538000000e-03  1.8930000000e-04
-
-JOB 268
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7413000000e-02  3.2218100000e-01  9.0010200000e-01 -5.2031000000e-01 -8.0342100000e-01  4.9570000000e-03 -2.1756400000e-01  3.4423190000e+00 -2.2680000000e-03 -3.2337000000e-02  3.1011250000e+00 -8.7720200000e-01 -3.4958200000e-01  4.3812030000e+00 -1.3379600000e-01
-ENERGY -1.526566480407e+02
-FORCES -2.5621000000e-03 -1.0823000000e-03  4.7185000000e-03  4.2940000000e-04 -3.3390000000e-03 -3.6324000000e-03  2.0521000000e-03  3.1861000000e-03 -5.1000000000e-06  4.1400000000e-04  1.4231000000e-03 -4.9670000000e-03 -7.5780000000e-04  3.6803000000e-03  3.4879000000e-03  4.2440000000e-04 -3.8682000000e-03  3.9820000000e-04
-
-JOB 269
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8620900000e-01  1.4251700000e-01  8.1210900000e-01 -9.1078000000e-01 -9.4288000000e-02  2.7896600000e-01  1.4504410000e+00 -2.2413530000e+00 -1.9350360000e+00  5.9009000000e-01 -2.4889550000e+00 -1.5963310000e+00  2.0140250000e+00 -2.2141790000e+00 -1.1618170000e+00
-ENERGY -1.526537752503e+02
-FORCES -1.6801000000e-03  2.0272000000e-03  4.1853000000e-03 -1.7236000000e-03 -1.4164000000e-03 -3.7838000000e-03  4.2053000000e-03 -5.0510000000e-04 -1.6612000000e-03 -3.2028000000e-03  2.9673000000e-03  6.6468000000e-03  3.0578000000e-03 -1.7520000000e-03 -2.3792000000e-03 -6.5650000000e-04 -1.3210000000e-03 -3.0079000000e-03
-
-JOB 270
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4486400000e-01 -1.3309200000e-01 -7.5825000000e-02  1.0669200000e-01  5.1169700000e-01  8.0188200000e-01  2.3171760000e+00  2.1125120000e+00 -2.3394300000e-01  2.4384130000e+00  2.6556380000e+00 -1.0127550000e+00  1.4572710000e+00  2.3643410000e+00  1.0277200000e-01
-ENERGY -1.526518916151e+02
-FORCES -1.9747000000e-03  1.1910000000e-04  3.7227000000e-03  4.5812000000e-03  1.1113000000e-03 -2.5070000000e-04 -9.0230000000e-04  2.3040000000e-04 -4.1896000000e-03 -4.8306000000e-03  1.2064000000e-03 -4.1489000000e-03 -7.1500000000e-05 -1.8244000000e-03  3.2535000000e-03  3.1979000000e-03 -8.4290000000e-04  1.6130000000e-03
-
-JOB 271
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5015400000e-01  2.9466100000e-01 -8.4071300000e-01 -9.1256400000e-01  2.8883800000e-01 -5.6050000000e-03  2.1992300000e-01  3.1644640000e+00  4.3298500000e-01 -1.6035100000e-01  3.9243210000e+00 -7.7440000000e-03  6.0436100000e-01  2.6449910000e+00 -2.7312200000e-01
-ENERGY -1.526526629095e+02
-FORCES -3.9614000000e-03  2.9288000000e-03 -1.5723000000e-03 -5.3250000000e-04  1.3443000000e-03  3.9572000000e-03  3.8243000000e-03 -2.4968000000e-03 -1.1925000000e-03  1.7330000000e-03 -2.0450000000e-04 -3.5097000000e-03  1.0598000000e-03 -4.2144000000e-03  1.7691000000e-03 -2.1232000000e-03  2.6426000000e-03  5.4810000000e-04
-
-JOB 272
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0027700000e-01  3.8139000000e-01  3.6101300000e-01  1.4582400000e-01 -7.8957800000e-01  5.2109000000e-01  2.4560430000e+00  5.5628500000e-01 -9.7124300000e-01  1.6737050000e+00  2.5694200000e-01 -5.0802300000e-01  2.1483280000e+00  1.2766600000e+00 -1.5213360000e+00
-ENERGY -1.526576674691e+02
-FORCES  3.4925000000e-03  2.8804000000e-03 -3.3300000000e-05  3.1265000000e-03 -3.4451000000e-03 -1.5029000000e-03  1.2367000000e-03  5.7032000000e-03 -3.1712000000e-03 -1.6107600000e-02  9.1840000000e-04  3.0035000000e-03  6.4706000000e-03 -4.9745000000e-03  7.5150000000e-04  1.7812000000e-03 -1.0824000000e-03  9.5240000000e-04
-
-JOB 273
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3007000000e-01 -4.6899700000e-01  8.5185000000e-02 -1.7688900000e-01  5.8670000000e-03 -9.4069500000e-01 -1.9366130000e+00 -1.3181510000e+00  1.1930400000e+00 -1.2239400000e+00 -9.2782100000e-01  6.8710400000e-01 -1.7195870000e+00 -2.2495120000e+00  1.2342430000e+00
-ENERGY -1.526577282251e+02
-FORCES -3.3190000000e-03 -4.2114000000e-03  1.8933000000e-03 -6.0170000000e-03  1.0965000000e-03 -9.6460000000e-04  5.0170000000e-04 -2.0272000000e-03  6.2959000000e-03  1.4767400000e-02  9.1140000000e-03 -8.2635000000e-03 -7.5158000000e-03 -7.4196000000e-03  2.2583000000e-03  1.5827000000e-03  3.4477000000e-03 -1.2194000000e-03
-
-JOB 274
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2082300000e-01 -1.0119300000e-01  9.4413600000e-01  2.2480100000e-01 -8.5633200000e-01 -3.6385800000e-01  1.8268010000e+00 -1.9723150000e+00 -1.6074060000e+00  2.4293420000e+00 -1.8107850000e+00 -8.8139900000e-01  2.0585350000e+00 -1.3140860000e+00 -2.2625900000e+00
-ENERGY -1.526592991056e+02
-FORCES  1.5668000000e-03 -6.1693000000e-03 -4.9170000000e-04  6.0600000000e-04 -3.7700000000e-05 -3.7158000000e-03 -2.9623000000e-03  6.4236000000e-03  5.4432000000e-03  5.8844000000e-03  4.2732000000e-03 -1.8979000000e-03 -4.2842000000e-03 -8.4230000000e-04 -2.3460000000e-03 -8.1080000000e-04 -3.6474000000e-03  3.0082000000e-03
-
-JOB 275
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3861000000e-01  3.7425100000e-01  8.4807600000e-01  3.7793200000e-01  6.0071600000e-01 -6.4229200000e-01  9.9737800000e-01 -2.3328150000e+00 -1.0796700000e+00  6.1620300000e-01 -1.4601140000e+00 -9.8307400000e-01  1.7725330000e+00 -2.3196120000e+00 -5.1825000000e-01
-ENERGY -1.526563225590e+02
-FORCES  3.1898000000e-03 -1.3850000000e-03  2.7529000000e-03 -8.6010000000e-04 -6.6380000000e-04 -4.7066000000e-03 -4.4630000000e-04 -7.2171000000e-03  2.4427000000e-03 -3.5329000000e-03  1.1193400000e-02  9.5195000000e-03  3.0980000000e-03 -1.4049000000e-03 -8.2342000000e-03 -1.4485000000e-03 -5.2270000000e-04 -1.7743000000e-03
-
-JOB 276
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9669900000e-01 -1.8780200000e-01  4.9621900000e-01 -6.1628700000e-01  3.3272800000e-01  6.5246700000e-01 -1.8300920000e+00  1.8112800000e+00 -1.2974210000e+00 -1.0918150000e+00  1.2313370000e+00 -1.4840880000e+00 -2.2731900000e+00  1.4037710000e+00 -5.5322200000e-01
-ENERGY -1.526562509075e+02
-FORCES  9.4590000000e-04  2.1564000000e-03  4.4999000000e-03 -4.0036000000e-03  1.1853000000e-03 -1.5780000000e-03  5.4660000000e-04 -1.6254000000e-03 -4.2376000000e-03  5.3997000000e-03 -7.4554000000e-03  2.6739000000e-03 -5.2881000000e-03  4.2550000000e-03 -1.4096000000e-03  2.3995000000e-03  1.4841000000e-03  5.1400000000e-05
-
-JOB 277
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7541500000e-01  1.2985900000e-01 -5.4598500000e-01 -2.7361400000e-01  2.7560300000e-01  8.7487700000e-01 -2.4912600000e+00 -9.8066300000e-01 -2.9052530000e+00 -2.5407510000e+00 -1.1212300000e-01 -3.3045270000e+00 -1.6837390000e+00 -1.3590300000e+00 -3.2530770000e+00
-ENERGY -1.526563842595e+02
-FORCES -5.2464000000e-03  8.3220000000e-04  1.2990000000e-03  4.8835000000e-03  9.4110000000e-04  2.8215000000e-03  1.1737000000e-03 -8.8530000000e-04 -3.3959000000e-03  2.3403000000e-03  3.4020000000e-04 -5.1861000000e-03  5.8920000000e-04 -3.4375000000e-03  2.7613000000e-03 -3.7402000000e-03  2.2093000000e-03  1.7003000000e-03
-
-JOB 278
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1202800000e-01 -2.3509200000e-01  5.9496200000e-01  4.2012600000e-01  7.5361700000e-01  4.1447200000e-01  2.0277940000e+00 -1.1528110000e+00  1.5973830000e+00  2.1002180000e+00 -4.4674200000e-01  2.2396090000e+00  1.2650930000e+00 -9.1881800000e-01  1.0684530000e+00
-ENERGY -1.526561808049e+02
-FORCES -1.4015000000e-03  3.9387000000e-03  2.3792000000e-03  7.0436000000e-03 -2.8900000000e-05 -1.7602000000e-03 -3.0560000000e-04 -7.5029000000e-03  5.9850000000e-04 -8.3539000000e-03  4.8346000000e-03 -6.7780000000e-03 -1.7313000000e-03 -1.1340000000e-03 -3.4484000000e-03  4.7488000000e-03 -1.0740000000e-04  9.0089000000e-03
-
-JOB 279
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1173300000e-01 -2.8154600000e-01 -7.5535000000e-02 -3.2520000000e-03  9.0783600000e-01 -3.0340500000e-01  2.1192990000e+00 -5.9724900000e-01  1.4818630000e+00  1.2674830000e+00 -4.3129600000e-01  1.0780050000e+00  2.5971940000e+00  2.2595600000e-01  1.3809620000e+00
-ENERGY -1.526581367339e+02
-FORCES  4.7736000000e-03 -5.7840000000e-04  4.1919000000e-03  4.4748000000e-03  2.7617000000e-03 -4.5120000000e-04 -4.6130000000e-04 -4.7205000000e-03  1.8072000000e-03 -1.3000400000e-02  4.9872000000e-03 -9.8050000000e-03  6.2428000000e-03 -9.2530000000e-04  4.6775000000e-03 -2.0295000000e-03 -1.5246000000e-03 -4.2040000000e-04
-
-JOB 280
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4568800000e-01  2.1016900000e-01  8.2062300000e-01  7.0146100000e-01 -2.7462400000e-01 -5.9056400000e-01 -1.7199610000e+00 -9.4358100000e-01  1.9515970000e+00 -1.5160370000e+00 -1.8317410000e+00  2.2445450000e+00 -1.0951620000e+00 -7.7403800000e-01  1.2465340000e+00
-ENERGY -1.526579053531e+02
-FORCES  2.4996000000e-03 -4.4370000000e-04  5.8280000000e-04 -5.9614000000e-03 -5.7425000000e-03 -3.6626000000e-03 -2.6917000000e-03  2.0616000000e-03  3.7046000000e-03  5.0650000000e-03 -5.1870000000e-04 -9.7779000000e-03  4.7260000000e-04  3.1554000000e-03 -1.5517000000e-03  6.1590000000e-04  1.4879000000e-03  1.0704800000e-02
-
-JOB 281
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2536000000e-01  6.4689700000e-01 -4.7090600000e-01  2.2190300000e-01 -8.3510100000e-01 -4.1182200000e-01  1.1993500000e-01  6.3740600000e-01  3.0728510000e+00 -1.7568600000e-01  3.9623800000e-01  2.1949680000e+00  3.8554300000e-01 -1.9077900000e-01  3.4725940000e+00
-ENERGY -1.526604573021e+02
-FORCES  3.9332000000e-03 -3.4060000000e-04 -4.8260000000e-03 -2.4733000000e-03 -3.6117000000e-03  1.4376000000e-03 -6.2530000000e-04  3.8568000000e-03  1.6443000000e-03 -2.7600000000e-04 -4.7784000000e-03 -6.1570000000e-03  2.1320000000e-04  2.2932000000e-03  9.0278000000e-03 -7.7170000000e-04  2.5808000000e-03 -1.1267000000e-03
-
-JOB 282
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1319200000e-01  3.5891700000e-01  6.4140900000e-01 -4.1415900000e-01 -7.3641900000e-01  4.4987900000e-01  1.7780270000e+00 -8.6587100000e-01 -1.8949540000e+00  1.2274060000e+00 -6.7704500000e-01 -1.1350900000e+00  1.4486290000e+00 -2.8459200000e-01 -2.5804050000e+00
-ENERGY -1.526598804853e+02
-FORCES  1.1265000000e-03 -1.2509000000e-03  1.1640000000e-03 -2.2164000000e-03 -3.8719000000e-03 -5.1272000000e-03  3.8414000000e-03  3.7460000000e-03 -2.7592000000e-03 -1.2792900000e-02  6.8950000000e-03  8.1956000000e-03  8.5935000000e-03 -3.9840000000e-03 -2.8082000000e-03  1.4479000000e-03 -1.5342000000e-03  1.3350000000e-03
-
-JOB 283
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5893500000e-01  9.1729900000e-01 -2.2256300000e-01 -8.7358200000e-01 -3.8536100000e-01  6.7698000000e-02 -1.3404050000e+00 -1.8851780000e+00 -1.3701480000e+00 -6.6503300000e-01 -2.5332360000e+00 -1.5704620000e+00 -1.5431380000e+00 -1.4811850000e+00 -2.2139020000e+00
-ENERGY -1.526546482770e+02
-FORCES -8.3282000000e-03 -6.9283000000e-03 -5.5766000000e-03 -3.1050000000e-04 -4.0825000000e-03 -8.3370000000e-04  2.5832000000e-03  5.7047000000e-03  4.0618000000e-03  9.7034000000e-03  5.0660000000e-03 -8.4550000000e-04 -3.8895000000e-03  1.6127000000e-03 -3.0930000000e-04  2.4160000000e-04 -1.3726000000e-03  3.5034000000e-03
-
-JOB 284
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4354100000e-01 -1.6122500000e-01 -4.2270100000e-01  5.3176500000e-01 -7.6291600000e-01 -2.2675300000e-01 -1.5287800000e-01  2.7504410000e+00 -2.7436800000e-01 -2.0811900000e-01  1.8056800000e+00 -1.3081800000e-01 -4.0549000000e-02  3.1200880000e+00  6.0140300000e-01
-ENERGY -1.526590433646e+02
-FORCES  2.6738000000e-03  4.0080000000e-04 -3.2063000000e-03  5.2907000000e-03  3.6446000000e-03  2.2334000000e-03 -4.1945000000e-03  2.0532000000e-03  1.0884000000e-03  3.4236000000e-03 -1.0919900000e-02  4.1943000000e-03 -6.9452000000e-03  6.2496000000e-03 -1.8357000000e-03 -2.4850000000e-04 -1.4284000000e-03 -2.4740000000e-03
-
-JOB 285
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2667600000e-01  7.9857200000e-01  3.3564000000e-02  7.9224200000e-01  2.1413600000e-01  4.9267700000e-01 -3.9624000000e-01 -2.9049720000e+00  2.0087140000e+00  1.5635700000e-01 -2.2103000000e+00  2.3669020000e+00 -6.2342600000e-01 -3.4451740000e+00  2.7655500000e+00
-ENERGY -1.526525095216e+02
-FORCES  4.1830000000e-04  4.2608000000e-03  1.1713000000e-03  2.3697000000e-03 -3.3551000000e-03 -1.4920000000e-04 -3.4810000000e-03 -1.6448000000e-03 -1.0256000000e-03  1.3204000000e-03  1.6175000000e-03  3.7667000000e-03 -1.3324000000e-03 -3.2623000000e-03 -3.9310000000e-04  7.0500000000e-04  2.3840000000e-03 -3.3699000000e-03
-
-JOB 286
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2644300000e-01  3.0008600000e-01 -3.7838100000e-01 -5.1049000000e-01 -3.0524500000e-01 -7.4997100000e-01  8.3483000000e-02 -1.7364960000e+00  2.2471800000e+00 -7.7964700000e-01 -2.0459430000e+00  1.9724420000e+00  4.7253600000e-01 -1.3730670000e+00  1.4517000000e+00
-ENERGY -1.526573340131e+02
-FORCES -7.5920000000e-04  7.6860000000e-04 -2.9098000000e-03 -3.8909000000e-03 -3.2357000000e-03  2.8706000000e-03  2.6299000000e-03  9.2650000000e-04  4.3038000000e-03 -3.6724000000e-03  7.2755000000e-03 -1.0731000000e-02  2.0451000000e-03 -3.7080000000e-04  1.4042000000e-03  3.6475000000e-03 -5.3642000000e-03  5.0621000000e-03
-
-JOB 287
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3718300000e-01 -1.1974600000e-01 -7.0419500000e-01 -1.5094200000e-01  8.9259400000e-01  3.1100600000e-01  1.5924260000e+00  2.1611900000e+00  8.3028600000e-01  9.5748100000e-01  2.6182400000e+00  1.3818140000e+00  2.0791040000e+00  1.6029340000e+00  1.4366900000e+00
-ENERGY -1.526541099629e+02
-FORCES  2.7184000000e-03  7.7726000000e-03 -6.1910000000e-04  2.8354000000e-03  1.8364000000e-03  2.7169000000e-03 -5.4767000000e-03 -4.1202000000e-03  1.2181000000e-03  2.2964000000e-03 -4.5569000000e-03  3.3858000000e-03 -1.4940000000e-04 -4.9260000000e-03 -4.6907000000e-03 -2.2241000000e-03  3.9940000000e-03 -2.0111000000e-03
-
-JOB 288
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8368800000e-01 -3.6938800000e-01  8.6373800000e-01  2.5951000000e-02  9.4593500000e-01  1.4410400000e-01 -6.3396700000e-01  2.7386470000e+00  5.7775600000e-01 -1.5771590000e+00  2.7483030000e+00  4.1488300000e-01 -5.2352000000e-01  3.2506720000e+00  1.3789200000e+00
-ENERGY -1.526609407967e+02
-FORCES -1.5735000000e-03  9.7740000000e-03  5.3693000000e-03  2.6810000000e-04  8.1120000000e-04 -2.4377000000e-03  1.5316000000e-03 -8.9155000000e-03 -2.8998000000e-03 -3.4199000000e-03  5.0530000000e-04  1.6745000000e-03  4.8110000000e-03  4.6480000000e-04  1.8624000000e-03 -1.6173000000e-03 -2.6398000000e-03 -3.5686000000e-03
-
-JOB 289
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0700000000e-03 -5.2731000000e-01  7.9884300000e-01  6.0467500000e-01  7.1734200000e-01  1.8978900000e-01 -9.4888400000e-01 -1.8858960000e+00  1.6671320000e+00 -1.6341350000e+00 -1.2890910000e+00  1.9679430000e+00 -7.7413400000e-01 -2.4498940000e+00  2.4205250000e+00
-ENERGY -1.526588577578e+02
-FORCES -7.3100000000e-04 -8.2945000000e-03  6.8898000000e-03  6.3940000000e-04  9.5866000000e-03 -3.7939000000e-03 -2.2843000000e-03 -3.5420000000e-03  1.2675000000e-03 -2.3561000000e-03  1.1376000000e-03 -3.2500000000e-05  6.0461000000e-03 -2.3527000000e-03 -8.1160000000e-04 -1.3141000000e-03  3.4650000000e-03 -3.5194000000e-03
-
-JOB 290
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6730000000e-03  9.5513200000e-01 -6.2416000000e-02 -5.3633600000e-01 -2.8455600000e-01 -7.4000200000e-01  1.5096730000e+00 -1.5707820000e+00  2.0994310000e+00  1.6366450000e+00 -1.1034640000e+00  1.2737650000e+00  2.1559380000e+00 -1.1887540000e+00  2.6932560000e+00
-ENERGY -1.526571745442e+02
-FORCES -4.2801000000e-03  2.2061000000e-03 -2.5335000000e-03  4.7050000000e-04 -4.3843000000e-03  2.1640000000e-04  2.3430000000e-03  1.8477000000e-03  3.1878000000e-03 -3.0800000000e-04  4.8799000000e-03 -4.0417000000e-03  4.3945000000e-03 -3.8439000000e-03  5.5734000000e-03 -2.6200000000e-03 -7.0540000000e-04 -2.4023000000e-03
-
-JOB 291
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4998600000e-01 -6.2240600000e-01  3.2613000000e-01 -1.6841400000e-01  8.0315300000e-01  4.9276100000e-01 -1.3426510000e+00 -1.8969880000e+00  1.2531320000e+00 -1.9053240000e+00 -2.3458590000e+00  6.2214400000e-01 -6.9840300000e-01 -2.5560750000e+00  1.5115520000e+00
-ENERGY -1.526588801709e+02
-FORCES -1.0210700000e-02 -1.1435800000e-02  1.0855100000e-02  2.5236000000e-03  5.7956000000e-03 -7.6019000000e-03 -8.3100000000e-05 -2.8265000000e-03 -7.3690000000e-04  7.6403000000e-03  1.8854000000e-03 -2.8708000000e-03  4.8465000000e-03  4.1666000000e-03  2.0105000000e-03 -4.7166000000e-03  2.4147000000e-03 -1.6561000000e-03
-
-JOB 292
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8056500000e-01  5.7044300000e-01 -5.9990400000e-01  5.1541200000e-01 -8.0605300000e-01  2.9334000000e-02  1.4369170000e+00 -2.1512650000e+00  8.3922600000e-01  1.4080740000e+00 -2.9879980000e+00  3.7524700000e-01  2.2069430000e+00 -1.7067050000e+00  4.8474200000e-01
-ENERGY -1.526560506606e+02
-FORCES  5.8615000000e-03 -1.0883400000e-02  3.6227000000e-03  5.7450000000e-04 -3.9437000000e-03  2.6910000000e-03  3.8430000000e-04  8.9063000000e-03 -6.1686000000e-03  1.5887000000e-03  1.1890000000e-04 -5.8840000000e-04 -5.6000000000e-05  5.8163000000e-03  1.6494000000e-03 -8.3529000000e-03 -1.4300000000e-05 -1.2061000000e-03
-
-JOB 293
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3632700000e-01 -4.7362000000e-02 -8.9491500000e-01 -3.8268000000e-02  9.3035300000e-01  2.2183400000e-01 -4.1735400000e-01  3.6733200000e-01  2.9123080000e+00 -1.9870600000e-01  5.3882100000e-01  3.8282860000e+00  4.2892200000e-01  2.4185100000e-01  2.4830030000e+00
-ENERGY -1.526556837812e+02
-FORCES -4.1414000000e-03  3.3028000000e-03 -2.0535000000e-03  1.0399000000e-03  5.6740000000e-04  3.5514000000e-03  2.8947000000e-03 -4.4407000000e-03 -1.0808000000e-03  4.4287000000e-03 -2.5367000000e-03  5.0840000000e-04 -9.3930000000e-04 -9.5670000000e-04 -4.1835000000e-03 -3.2826000000e-03  4.0638000000e-03  3.2581000000e-03
-
-JOB 294
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4183000000e-02  9.4344400000e-01  1.5554300000e-01 -3.6772400000e-01 -8.1181000000e-02 -8.8001200000e-01 -1.7618320000e+00  2.5743480000e+00  2.6717800000e-01 -1.6105330000e+00  1.9448080000e+00  9.7217400000e-01 -2.0013850000e+00  2.0365100000e+00 -4.8752500000e-01
-ENERGY -1.526554639131e+02
-FORCES  2.4560000000e-04  5.1989000000e-03 -4.4588000000e-03 -2.5028000000e-03 -5.7807000000e-03  1.8172000000e-03  6.2300000000e-05  7.1500000000e-04  3.9992000000e-03 -3.8820000000e-03 -6.2585000000e-03  7.4200000000e-04  2.9656000000e-03  3.8299000000e-03 -4.1480000000e-03  3.1112000000e-03  2.2954000000e-03  2.0485000000e-03
-
-JOB 295
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2435600000e-01 -4.9397900000e-01  3.8409000000e-01  3.8953000000e-01  8.3529600000e-01 -2.5841600000e-01  1.8131370000e+00 -6.1603900000e-01 -1.9480260000e+00  1.1382150000e+00 -6.5132000000e-01 -1.2701860000e+00  2.5395340000e+00 -1.4550100000e-01 -1.5391580000e+00
-ENERGY -1.526504655857e+02
-FORCES  6.6784000000e-03  3.6104000000e-03 -2.1406000000e-03 -1.2220000000e-03  8.5620000000e-04 -1.1587000000e-02 -5.5400000000e-05 -6.7555000000e-03  5.8000000000e-06 -9.5668000000e-03  2.9485000000e-03  9.0381000000e-03  8.8637000000e-03  2.1230000000e-04  4.0956000000e-03 -4.6980000000e-03 -8.7180000000e-04  5.8810000000e-04
-
-JOB 296
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1617600000e-01 -8.6587100000e-01  2.5793600000e-01  4.9405100000e-01 -1.5492900000e-01 -8.0507300000e-01 -1.2475100000e+00 -1.8315880000e+00  1.2385910000e+00 -1.8978990000e+00 -1.1528570000e+00  1.4190090000e+00 -9.3301900000e-01 -2.0982970000e+00  2.1024160000e+00
-ENERGY -1.526580850968e+02
-FORCES -8.3319000000e-03 -1.5832100000e-02  9.4322000000e-03  1.5892000000e-03  8.4589000000e-03 -5.2685000000e-03 -2.2426000000e-03 -2.8790000000e-03  3.3567000000e-03  6.6384000000e-03  1.2331900000e-02 -2.6709000000e-03  4.7645000000e-03 -4.0775000000e-03 -9.7070000000e-04 -2.4176000000e-03  1.9977000000e-03 -3.8787000000e-03
-
-JOB 297
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0685200000e-01 -5.6630000000e-02 -9.3286500000e-01  5.3685200000e-01  7.8849700000e-01  7.9340000000e-02 -2.8560110000e+00  1.9233080000e+00 -8.5461600000e-01 -2.9772000000e+00  1.0636770000e+00 -4.5140500000e-01 -1.9810990000e+00  1.8859160000e+00 -1.2410900000e+00
-ENERGY -1.526543696128e+02
-FORCES  3.5679000000e-03  2.2346000000e-03 -2.4636000000e-03 -9.0030000000e-04  1.7602000000e-03  4.3199000000e-03 -2.8961000000e-03 -3.4718000000e-03 -1.0683000000e-03  3.7858000000e-03 -4.6042000000e-03  2.2313000000e-03 -9.0430000000e-04  3.7687000000e-03 -2.9431000000e-03 -2.6531000000e-03  3.1250000000e-04 -7.6200000000e-05
-
-JOB 298
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1033600000e-01  7.4717900000e-01 -5.1151500000e-01 -3.5854500000e-01  1.4325500000e-01  8.7587400000e-01 -1.2437440000e+00  1.7138960000e+00 -1.9295080000e+00 -2.1294580000e+00  1.9933490000e+00 -2.1611280000e+00 -6.8117700000e-01  2.4294920000e+00 -2.2256050000e+00
-ENERGY -1.526599401161e+02
-FORCES -6.3127000000e-03  6.2553000000e-03 -4.3134000000e-03  6.8029000000e-03 -3.3541000000e-03  6.1696000000e-03  6.8880000000e-04 -1.5060000000e-04 -2.9524000000e-03 -2.9515000000e-03  1.0907000000e-03 -1.7276000000e-03  4.5932000000e-03 -4.8100000000e-05  1.3730000000e-04 -2.8207000000e-03 -3.7933000000e-03  2.6865000000e-03
-
-JOB 299
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1631900000e-01 -7.9485600000e-01  5.2048600000e-01 -6.3386900000e-01  6.1901000000e-01  3.6231000000e-01 -9.2867900000e-01 -9.1785200000e-01  2.4391360000e+00 -1.4718100000e+00 -1.2811600000e+00  1.7396730000e+00 -1.5144750000e+00 -3.3137400000e-01  2.9177990000e+00
-ENERGY -1.526501684307e+02
-FORCES -2.7162000000e-03 -6.4520000000e-04  1.4848800000e-02 -5.1383000000e-03 -3.8747000000e-03 -3.4903000000e-03 -1.5330000000e-04 -7.1810000000e-04 -3.1107000000e-03 -2.5050000000e-03  3.8581000000e-03 -3.7180000000e-03  7.8089000000e-03  3.6111000000e-03 -1.2047000000e-03  2.7040000000e-03 -2.2311000000e-03 -3.3252000000e-03
-
-JOB 300
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8303100000e-01 -7.3555600000e-01 -5.8454200000e-01 -2.2739400000e-01  7.7596700000e-01 -5.1224900000e-01 -1.1994650000e+00 -1.5023660000e+00 -2.1565760000e+00 -8.3621600000e-01 -2.2078520000e+00 -2.6918990000e+00 -9.2766200000e-01 -6.9944200000e-01 -2.6011750000e+00
-ENERGY -1.526574572921e+02
-FORCES -5.9015000000e-03 -4.8581000000e-03 -7.4385000000e-03  5.2159000000e-03  6.4134000000e-03  3.8447000000e-03  1.0031000000e-03 -2.7056000000e-03  1.9590000000e-04  7.4430000000e-04  3.2500000000e-04 -4.9592000000e-03 -1.3898000000e-03  4.1116000000e-03  2.9914000000e-03  3.2810000000e-04 -3.2863000000e-03  5.3658000000e-03
-
-JOB 301
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6897400000e-01  7.6868400000e-01 -3.2468500000e-01 -7.4791100000e-01 -9.1867000000e-02 -5.9027200000e-01  2.1634440000e+00  1.9701040000e+00 -6.4947700000e-01  2.3045000000e+00  2.9156450000e+00 -6.0164300000e-01  2.7447420000e+00  1.6066460000e+00  1.8522000000e-02
-ENERGY -1.526615625737e+02
-FORCES  2.5497000000e-03  5.5069000000e-03 -4.5805000000e-03 -6.4214000000e-03 -7.2864000000e-03  3.1818000000e-03  2.5299000000e-03  9.3070000000e-04  1.7265000000e-03  4.5389000000e-03  2.5996000000e-03  2.9660000000e-03  8.8000000000e-06 -4.4123000000e-03 -5.1000000000e-06 -3.2059000000e-03  2.6614000000e-03 -3.2887000000e-03
-
-JOB 302
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9025200000e-01  2.8732800000e-01 -8.2545600000e-01 -5.5806800000e-01  3.8451700000e-01  6.7597300000e-01 -1.6675410000e+00  1.5934640000e+00  1.4627330000e+00 -2.5753040000e+00  1.7716840000e+00  1.2168930000e+00 -1.4044180000e+00  2.3558540000e+00  1.9782510000e+00
-ENERGY -1.526594962420e+02
-FORCES -1.0007400000e-02  9.9319000000e-03  5.3809000000e-03  9.2490000000e-04 -1.2650000000e-03  1.4114000000e-03  4.7706000000e-03 -5.4728000000e-03 -2.5997000000e-03  2.4678000000e-03 -4.6540000000e-04 -2.7258000000e-03  4.6812000000e-03  4.3710000000e-04  1.1530000000e-03 -2.8371000000e-03 -3.1657000000e-03 -2.6198000000e-03
-
-JOB 303
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3640500000e-01  6.0911400000e-01 -5.4032000000e-02  6.9104000000e-01  4.1234200000e-01 -5.1833400000e-01 -3.0610620000e+00 -1.3480100000e-01  7.3716500000e-01 -2.4236080000e+00 -5.4225300000e-01  1.3235660000e+00 -3.3738460000e+00  6.3153600000e-01  1.2179190000e+00
-ENERGY -1.526580503129e+02
-FORCES -1.9242000000e-03  3.3764000000e-03 -3.4900000000e-03  6.6647000000e-03 -1.2264000000e-03  1.6830000000e-03 -3.2889000000e-03 -1.1010000000e-03  1.8333000000e-03 -1.5320000000e-04 -1.9969000000e-03  5.6561000000e-03 -3.8941000000e-03  3.5963000000e-03 -2.7854000000e-03  2.5957000000e-03 -2.6484000000e-03 -2.8968000000e-03
-
-JOB 304
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2889000000e-02 -5.1903200000e-01  8.0095200000e-01 -9.3986200000e-01  1.4727200000e-01 -1.0583800000e-01 -1.6272520000e+00 -6.9468700000e-01  2.2703720000e+00 -1.2739300000e+00 -1.3869830000e+00  2.8290510000e+00 -2.4665550000e+00 -1.0382920000e+00  1.9642060000e+00
-ENERGY -1.526562060961e+02
-FORCES -8.9253000000e-03 -1.8516000000e-03  1.0174000000e-02  5.3417000000e-03 -9.8100000000e-04 -3.2069000000e-03  1.6833000000e-03  1.6000000000e-04 -3.2743000000e-03 -2.2537000000e-03 -2.9837000000e-03  7.8900000000e-05 -2.7750000000e-04  3.4744000000e-03 -4.2887000000e-03  4.4315000000e-03  2.1819000000e-03  5.1700000000e-04
-
-JOB 305
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5767400000e-01  8.3840100000e-01 -4.3411400000e-01  7.9779500000e-01  1.4012600000e-01  5.1001900000e-01 -2.5243340000e+00  9.2323800000e-01  1.1618490000e+00 -2.7582680000e+00  1.7608650000e+00  7.6199100000e-01 -1.5739280000e+00  9.6498300000e-01  1.2677610000e+00
-ENERGY -1.526535525676e+02
-FORCES  1.7276000000e-03  1.8325000000e-03 -3.4771000000e-03 -2.0710000000e-04 -2.7155000000e-03  4.9867000000e-03 -5.8979000000e-03  2.8470000000e-04 -1.0367000000e-03  6.6493000000e-03 -9.6530000000e-04 -2.1700000000e-03  2.4300000000e-03 -3.5887000000e-03  4.1630000000e-04 -4.7019000000e-03  5.1523000000e-03  1.2807000000e-03
-
-JOB 306
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6467500000e-01 -4.8975000000e-02 -4.0764000000e-01  2.4408800000e-01  9.2326000000e-01 -6.5150000000e-02  3.0622850000e+00  7.3437400000e-01 -1.1306900000e+00  4.0181510000e+00  7.3271700000e-01 -1.0801980000e+00  2.8125540000e+00 -1.7771400000e-01 -9.8249400000e-01
-ENERGY -1.526580591955e+02
-FORCES -2.3829000000e-03  4.8656000000e-03 -1.8888000000e-03  3.4268000000e-03  2.7900000000e-04  1.6344000000e-03 -3.0000000000e-03 -4.5172000000e-03  9.3080000000e-04  2.3503000000e-03 -4.7436000000e-03  8.7770000000e-04 -3.8523000000e-03 -2.9460000000e-04 -1.8760000000e-04  3.4581000000e-03  4.4107000000e-03 -1.3665000000e-03
-
-JOB 307
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2957800000e-01 -6.6518600000e-01 -6.4888600000e-01  7.1223000000e-01 -3.9277400000e-01  5.0466800000e-01 -1.8898090000e+00  1.8926580000e+00 -1.7553660000e+00 -2.3859930000e+00  2.6616160000e+00 -2.0359690000e+00 -2.2602230000e+00  1.6662050000e+00 -9.0228700000e-01
-ENERGY -1.526552420105e+02
-FORCES  2.7874000000e-03 -3.9838000000e-03 -2.1548000000e-03  7.6280000000e-04  1.9171000000e-03  4.0491000000e-03 -2.8663000000e-03  1.7509000000e-03 -2.2613000000e-03 -2.1831000000e-03  2.0407000000e-03  4.0960000000e-03  2.2523000000e-03 -2.9995000000e-03  1.2856000000e-03 -7.5310000000e-04  1.2746000000e-03 -5.0145000000e-03
-
-JOB 308
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8641400000e-01 -5.7011700000e-01  7.4595400000e-01 -7.5724100000e-01 -1.0350000000e-01 -5.7628600000e-01 -1.5755700000e-01  2.7006070000e+00  3.5382800000e-01 -2.2681400000e-01  1.7480390000e+00  2.9018500000e-01  4.4028500000e-01  2.9454830000e+00 -3.5246700000e-01
-ENERGY -1.526596352661e+02
-FORCES -1.7276000000e-03  5.4470000000e-04  1.7461000000e-03  4.8800000000e-05  3.3790000000e-03 -4.4835000000e-03  4.1647000000e-03  3.2902000000e-03  4.5130000000e-03  4.5630000000e-03 -1.5398000000e-02 -2.8270000000e-03 -4.9303000000e-03  8.8493000000e-03 -3.5830000000e-04 -2.1185000000e-03 -6.6520000000e-04  1.4097000000e-03
-
-JOB 309
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6349000000e-01  7.9008000000e-01  3.9985000000e-01  7.8849600000e-01 -1.8600000000e-01  5.0981300000e-01  2.7534180000e+00  8.5980600000e-01  1.8731830000e+00  3.6920570000e+00  1.0449480000e+00  1.8429840000e+00  2.5503350000e+00  8.0092200000e-01  2.8067360000e+00
-ENERGY -1.526583917101e+02
-FORCES  4.5444000000e-03  3.6567000000e-03  4.2019000000e-03  2.8900000000e-05 -3.0098000000e-03 -1.4780000000e-03 -6.3143000000e-03 -1.6458000000e-03 -2.9038000000e-03  5.3656000000e-03  1.5049000000e-03  3.6813000000e-03 -4.0329000000e-03 -6.3540000000e-04  9.6650000000e-04  4.0840000000e-04  1.2930000000e-04 -4.4679000000e-03
-
-JOB 310
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9999100000e-01  7.6706700000e-01 -5.3651000000e-01 -9.4819300000e-01 -1.0604900000e-01 -7.6907000000e-02  1.8301060000e+00 -1.7279590000e+00 -2.0361810000e+00  1.8450070000e+00 -9.6088000000e-01 -2.6085450000e+00  9.9072900000e-01 -2.1491930000e+00 -2.2212230000e+00
-ENERGY -1.526513509261e+02
-FORCES -1.3071000000e-03  2.5852000000e-03 -2.4220000000e-03 -1.0668000000e-03 -3.0664000000e-03  1.6298000000e-03  4.3044000000e-03 -3.9950000000e-04 -3.6300000000e-04 -5.5926000000e-03  2.4976000000e-03 -5.5500000000e-05  1.1170000000e-04 -2.4377000000e-03  1.9718000000e-03  3.5505000000e-03  8.2080000000e-04 -7.6110000000e-04
-
-JOB 311
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8823500000e-01 -1.8642200000e-01 -3.0416600000e-01 -1.9710000000e-03  9.4154300000e-01  1.7240800000e-01  4.4890300000e-01 -2.8823770000e+00 -7.0184100000e-01  7.1862200000e-01 -3.1906580000e+00  1.6328700000e-01 -4.2942700000e-01 -2.5266700000e+00 -5.6678100000e-01
-ENERGY -1.526587783090e+02
-FORCES  4.5739000000e-03  1.4927000000e-03 -1.7859000000e-03 -3.8126000000e-03  3.8246000000e-03  2.6591000000e-03  7.3290000000e-04 -4.2034000000e-03 -8.4160000000e-04 -5.0012000000e-03  2.0297000000e-03  4.9166000000e-03 -2.0550000000e-04  1.2427000000e-03 -3.5159000000e-03  3.7125000000e-03 -4.3864000000e-03 -1.4322000000e-03
-
-JOB 312
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0489700000e-01 -3.5949700000e-01  8.3308600000e-01  3.1468000000e-02  9.4884700000e-01  1.2219200000e-01  2.8096250000e+00 -8.9475800000e-01  2.4862800000e-01  3.5671370000e+00 -1.2255010000e+00  7.3134500000e-01  2.9492410000e+00 -1.1924570000e+00 -6.5032400000e-01
-ENERGY -1.526556890391e+02
-FORCES  6.9160000000e-03  8.9820000000e-04  4.7188000000e-03 -5.1821000000e-03  1.8277000000e-03 -1.6626000000e-03 -6.9600000000e-04 -3.1679000000e-03 -6.3370000000e-04  1.8523000000e-03 -2.0776000000e-03 -5.1689000000e-03 -4.2541000000e-03  1.7505000000e-03 -1.5986000000e-03  1.3641000000e-03  7.6910000000e-04  4.3450000000e-03
-
-JOB 313
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4860400000e-01  9.2068800000e-01  2.1559600000e-01 -7.3592900000e-01  1.2578000000e-02 -6.1195000000e-01 -9.6977100000e-01 -3.4978000000e-02  2.8171720000e+00 -6.8454300000e-01 -2.3279100000e-01  1.9251250000e+00 -1.1637920000e+00  9.0227000000e-01  2.8048130000e+00
-ENERGY -1.526589357199e+02
-FORCES -1.0014000000e-03  4.0162000000e-03 -4.5382000000e-03 -2.7815000000e-03 -5.3965000000e-03  1.3155000000e-03  3.5728000000e-03  4.9740000000e-04  3.9916000000e-03  2.3594000000e-03  8.4890000000e-04 -8.9934000000e-03 -3.3399000000e-03  2.6800000000e-03  9.1041000000e-03  1.1907000000e-03 -2.6459000000e-03 -8.7970000000e-04
-
-JOB 314
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4744000000e-01  5.1072500000e-01 -6.7467700000e-01 -3.7659500000e-01 -7.4292800000e-01 -4.7166300000e-01  1.1385520000e+00 -3.2629160000e+00 -2.2807200000e-01  1.5244540000e+00 -4.0634110000e+00  1.2762400000e-01  1.9470900000e-01 -3.3859680000e+00 -1.2682600000e-01
-ENERGY -1.526533922250e+02
-FORCES  2.6358000000e-03 -2.4437000000e-03 -5.1118000000e-03 -2.2209000000e-03 -1.2451000000e-03  2.7510000000e-03 -7.5110000000e-04  2.6622000000e-03  2.1989000000e-03 -1.4578000000e-03 -4.1613000000e-03  3.4427000000e-03 -1.5646000000e-03  3.3490000000e-03 -1.5980000000e-03  3.3585000000e-03  1.8388000000e-03 -1.6828000000e-03
-
-JOB 315
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2371000000e-02 -4.6842700000e-01 -8.3412200000e-01  5.8996200000e-01  7.3637400000e-01 -1.6103000000e-01  1.9566420000e+00  9.2914200000e-01 -1.1446260000e+00  2.1025150000e+00  2.1055100000e-01 -1.7599150000e+00  2.0923380000e+00  1.7214000000e+00 -1.6643820000e+00
-ENERGY -1.526485127626e+02
-FORCES  2.3043200000e-02  1.1124700000e-02 -1.6090200000e-02  7.5590000000e-04 -1.3715000000e-03  3.9850000000e-04 -2.2632000000e-03  3.1197000000e-03  3.0958000000e-03 -1.6523700000e-02 -1.2280400000e-02  7.5657000000e-03 -1.7617000000e-03  4.3464000000e-03  1.6636000000e-03 -3.2505000000e-03 -4.9389000000e-03  3.3665000000e-03
-
-JOB 316
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0893400000e-01 -7.4466500000e-01 -3.2045700000e-01 -8.3538000000e-01 -3.7968300000e-01  2.7242100000e-01  2.1828280000e+00 -1.6839900000e+00 -8.9632400000e-01  2.6451800000e+00 -1.1098760000e+00 -2.8570500000e-01  2.1797130000e+00 -1.2020200000e+00 -1.7233230000e+00
-ENERGY -1.526611177249e+02
-FORCES  3.1566000000e-03 -8.2718000000e-03 -1.8306000000e-03 -5.5405000000e-03  8.6904000000e-03  2.2909000000e-03  3.3039000000e-03  3.8450000000e-04 -1.2875000000e-03  5.4082000000e-03  4.3870000000e-03 -1.1344000000e-03 -4.3695000000e-03 -2.9992000000e-03 -3.4141000000e-03 -1.9587000000e-03 -2.1910000000e-03  5.3758000000e-03
-
-JOB 317
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1967800000e-01  4.0208300000e-01 -2.8755700000e-01  2.3852300000e-01 -9.0067400000e-01  2.1937400000e-01  2.4925600000e-01 -2.7690680000e+00  3.5573000000e-01  4.6390600000e-01 -3.2273080000e+00 -4.5678000000e-01  4.0844700000e-01 -3.4144400000e+00  1.0444860000e+00
-ENERGY -1.526609442865e+02
-FORCES  2.9196000000e-03 -9.7975000000e-03  2.0496000000e-03 -2.1935000000e-03 -2.3865000000e-03  6.2240000000e-04  4.6600000000e-05  9.7267000000e-03 -2.5142000000e-03 -4.1200000000e-05 -1.1675000000e-03 -4.8550000000e-04 -2.1480000000e-04  1.7108000000e-03  4.7122000000e-03 -5.1660000000e-04  1.9140000000e-03 -4.3845000000e-03
-
-JOB 318
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2132500000e-01 -7.8759000000e-02  2.4736500000e-01  4.2324200000e-01  3.8140500000e-01  7.6917400000e-01  7.3050000000e-02 -1.3970310000e+00  2.8110470000e+00  5.9608800000e-01 -1.7707770000e+00  2.1018380000e+00  7.0437400000e-01 -1.2241940000e+00  3.5094660000e+00
-ENERGY -1.526579587674e+02
-FORCES -4.0131000000e-03  1.5478000000e-03  7.1749000000e-03  3.3179000000e-03  4.4740000000e-04 -2.9018000000e-03  7.1290000000e-04 -1.2789000000e-03 -4.5103000000e-03  4.1245000000e-03 -3.1624000000e-03 -8.6200000000e-04 -1.7839000000e-03  2.2506000000e-03  4.9674000000e-03 -2.3582000000e-03  1.9550000000e-04 -3.8681000000e-03
-
-JOB 319
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4416900000e-01 -2.0321000000e-01  9.2420400000e-01 -5.4138700000e-01 -6.3264800000e-01 -4.7211100000e-01 -6.6826700000e-01  1.0508100000e-01  2.9360920000e+00 -2.8441100000e-01 -3.4626400000e-01  3.6878720000e+00 -1.6101220000e+00 -4.1638000000e-02  3.0233510000e+00
-ENERGY -1.526603361250e+02
-FORCES -2.4000000000e-03 -1.8004000000e-03  7.0042000000e-03  1.2030000000e-03 -1.4330000000e-03 -1.0317900000e-02  1.2435000000e-03  2.0968000000e-03  2.3092000000e-03 -2.5013000000e-03 -5.3540000000e-04  5.4131000000e-03 -2.5108000000e-03  1.9850000000e-03 -3.6090000000e-03  4.9655000000e-03 -3.1310000000e-04 -7.9950000000e-04
-
-JOB 320
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1919100000e-01  7.5923300000e-01  5.7060500000e-01 -6.5465000000e-01  2.8075800000e-01 -6.3940600000e-01 -2.4530000000e-01 -4.4691700000e-01  3.3144060000e+00  6.5330000000e-01 -7.6654000000e-01  3.2332220000e+00 -3.1233500000e-01 -1.4692500000e-01  4.2209070000e+00
-ENERGY -1.526550609732e+02
-FORCES -3.6657000000e-03  3.9528000000e-03  1.8450000000e-03  1.0849000000e-03 -2.2228000000e-03 -4.3200000000e-03  2.6052000000e-03 -9.4160000000e-04  2.2726000000e-03  3.5576000000e-03 -2.2043000000e-03  3.3047000000e-03 -3.6874000000e-03  2.4085000000e-03  1.1512000000e-03  1.0540000000e-04 -9.9270000000e-04 -4.2535000000e-03
-
-JOB 321
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4090000000e-02 -8.6323000000e-02 -9.5228000000e-01 -3.2704100000e-01 -8.3603200000e-01  3.3215400000e-01  2.6133220000e+00 -1.3044800000e-01 -2.7509000000e-02  1.6757430000e+00 -1.6653100000e-01  1.6189800000e-01  3.0250490000e+00  1.1739000000e-02  8.2483800000e-01
-ENERGY -1.526583170621e+02
-FORCES  6.4910000000e-03 -1.5935000000e-03 -4.3863000000e-03  1.2205000000e-03 -6.9480000000e-04  6.5322000000e-03  4.9320000000e-03  4.4560000000e-03 -1.6708000000e-03 -1.9081700000e-02  2.8713000000e-03  2.5402000000e-03  9.9288000000e-03 -4.2492000000e-03 -1.4469000000e-03 -3.4906000000e-03 -7.8990000000e-04 -1.5684000000e-03
-
-JOB 322
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0575800000e-01 -6.9040300000e-01 -6.5451500000e-01  5.9949700000e-01  6.2597300000e-01 -4.0619300000e-01  1.8816820000e+00 -1.0749100000e+00  1.9486600000e+00  1.0086800000e+00 -8.8011200000e-01  2.2894720000e+00  2.3182470000e+00 -2.2410100000e-01  1.9066140000e+00
-ENERGY -1.526535605683e+02
-FORCES  6.2444000000e-03 -3.8433000000e-03 -2.5566000000e-03 -5.1970000000e-04  3.3780000000e-03  2.0279000000e-03 -2.2263000000e-03 -1.7339000000e-03  2.1527000000e-03 -7.5895000000e-03  6.9910000000e-03 -4.0827000000e-03  4.3469000000e-03 -2.0656000000e-03  2.4269000000e-03 -2.5570000000e-04 -2.7263000000e-03  3.1800000000e-05
-
-JOB 323
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2371800000e-01 -5.8831200000e-01 -7.2116000000e-01  6.2839000000e-01  6.1508900000e-01 -3.7818400000e-01 -2.5734000000e-02 -2.8271610000e+00  1.2203180000e+00  5.1511800000e-01 -3.0422370000e+00  1.9802220000e+00 -8.2299400000e-01 -3.3433350000e+00  1.3393690000e+00
-ENERGY -1.526528494484e+02
-FORCES  1.3480000000e-03 -3.5526000000e-03 -3.8415000000e-03  2.3300000000e-05  4.3871000000e-03  1.2149000000e-03 -2.1291000000e-03 -2.7603000000e-03  2.1607000000e-03 -2.5000000000e-04 -7.2240000000e-04  4.9435000000e-03 -2.2060000000e-03  1.7070000000e-04 -3.1580000000e-03  3.2137000000e-03  2.4776000000e-03 -1.3196000000e-03
-
-JOB 324
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5899000000e-02  6.5710000000e-03 -9.5607600000e-01 -7.3764900000e-01  5.4225100000e-01  2.7940900000e-01  1.6389850000e+00 -1.8599200000e+00 -1.5160190000e+00  8.2402500000e-01 -1.8240880000e+00 -2.0168070000e+00  2.2317370000e+00 -2.3794740000e+00 -2.0591030000e+00
-ENERGY -1.526508620408e+02
-FORCES -7.4880000000e-04  1.8808000000e-03 -3.5203000000e-03 -2.0085000000e-03 -1.6196000000e-03  2.5312000000e-03  3.6756000000e-03 -2.8323000000e-03 -1.0975000000e-03 -1.2820000000e-03 -2.9503000000e-03 -3.1063000000e-03  2.9720000000e-03  3.1980000000e-03  2.0775000000e-03 -2.6083000000e-03  2.3234000000e-03  3.1155000000e-03
-
-JOB 325
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8618600000e-01 -5.0792100000e-01  2.0039800000e-01  5.1677100000e-01 -2.9945000000e-02  8.0516000000e-01  1.7620970000e+00  2.1732580000e+00  7.0529100000e-01  1.5118670000e+00  2.1499830000e+00 -2.1832900000e-01  2.2568500000e+00  2.9872520000e+00  7.9945100000e-01
-ENERGY -1.526590091067e+02
-FORCES  4.1440000000e-04 -2.1420000000e-04  5.6581000000e-03  3.1533000000e-03  2.0097000000e-03 -8.2900000000e-05 -3.8520000000e-03 -3.0359000000e-03 -4.3054000000e-03 -9.8540000000e-04  2.0255000000e-03 -4.7349000000e-03  3.7908000000e-03  2.2250000000e-03  4.4622000000e-03 -2.5211000000e-03 -3.0101000000e-03 -9.9710000000e-04
-
-JOB 326
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1494700000e-01  8.9305600000e-01 -2.6922100000e-01 -4.9235100000e-01 -3.6097100000e-01 -7.3724000000e-01 -7.4277500000e-01  2.3026630000e+00 -2.4540860000e+00 -8.7752400000e-01  3.0045310000e+00 -3.0908400000e+00  2.8403000000e-02  1.8339420000e+00 -2.7731730000e+00
-ENERGY -1.526564211577e+02
-FORCES -3.5608000000e-03  3.9615000000e-03 -3.9044000000e-03  1.7006000000e-03 -5.1361000000e-03  1.2076000000e-03  3.1720000000e-03  1.7080000000e-04  2.6550000000e-03  1.4703000000e-03  2.9211000000e-03 -5.6472000000e-03  7.9410000000e-04 -3.3100000000e-03  2.4822000000e-03 -3.5762000000e-03  1.3928000000e-03  3.2068000000e-03
-
-JOB 327
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7693700000e-01  5.9053400000e-01  3.3054300000e-01 -8.9243000000e-02  2.3086200000e-01 -9.2464600000e-01  4.2371500000e-01  2.8033680000e+00 -9.7248700000e-01  8.4440000000e-03  3.5023440000e+00 -1.4776750000e+00 -1.8256000000e-02  2.8255890000e+00 -1.2372300000e-01
-ENERGY -1.526575357169e+02
-FORCES  4.2672000000e-03  6.2325000000e-03 -6.0235000000e-03 -3.6827000000e-03 -1.2919000000e-03  1.9277000000e-03 -1.4281000000e-03 -3.9949000000e-03  3.3816000000e-03 -4.1887000000e-03  3.1275000000e-03  1.9682000000e-03  1.2065000000e-03 -3.4724000000e-03  2.2685000000e-03  3.8258000000e-03 -6.0080000000e-04 -3.5225000000e-03
-
-JOB 328
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0863300000e-01 -5.3285000000e-02 -6.4127300000e-01  7.5871100000e-01 -3.7253000000e-01 -4.4923400000e-01 -2.3503760000e+00  2.1363550000e+00  8.7379700000e-01 -2.0200380000e+00  1.5951500000e+00  1.5908800000e+00 -1.7913220000e+00  2.9132830000e+00  8.8228300000e-01
-ENERGY -1.526571202780e+02
-FORCES -1.0546000000e-03 -1.2788000000e-03 -5.0372000000e-03  4.3711000000e-03 -1.5452000000e-03  2.2795000000e-03 -3.2027000000e-03  1.9326000000e-03  1.6120000000e-03  6.0226000000e-03  2.0970000000e-04  3.3152000000e-03 -3.2122000000e-03  2.8999000000e-03 -2.2162000000e-03 -2.9243000000e-03 -2.2183000000e-03  4.6700000000e-05
-
-JOB 329
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6101700000e-01 -5.0297400000e-01 -7.9832500000e-01  7.6020400000e-01 -4.2200100000e-01  4.0029600000e-01  4.3044200000e-01 -2.1243090000e+00 -2.1850720000e+00  9.6921500000e-01 -1.3545550000e+00 -2.3679220000e+00  8.6664900000e-01 -2.5531640000e+00 -1.4488400000e+00
-ENERGY -1.526560244308e+02
-FORCES  4.2090000000e-04 -6.9553000000e-03 -3.4940000000e-03  3.4972000000e-03  6.0627000000e-03  3.9453000000e-03 -2.0880000000e-03  1.0059000000e-03 -2.3008000000e-03  6.0612000000e-03 -1.4625000000e-03  4.6520000000e-04 -5.2813000000e-03 -2.5521000000e-03  3.9095000000e-03 -2.6101000000e-03  3.9012000000e-03 -2.5253000000e-03
-
-JOB 330
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2236200000e-01 -1.7820200000e-01  7.0508200000e-01  3.2666400000e-01 -8.6269600000e-01 -2.5549700000e-01 -2.3068510000e+00  4.2420000000e-03  1.4221980000e+00 -3.1923810000e+00 -2.5099000000e-01  1.1635000000e+00 -2.2546470000e+00 -2.1884800000e-01  2.3515720000e+00
-ENERGY -1.526579618332e+02
-FORCES -1.1153000000e-02 -1.8878000000e-03  5.7775000000e-03  9.4295000000e-03 -9.6320000000e-04 -3.8830000000e-04 -2.2871000000e-03  2.3014000000e-03  1.4726000000e-03 -1.0509000000e-03 -6.8030000000e-04 -4.0769000000e-03  3.5696000000e-03  1.1523000000e-03  3.2096000000e-03  1.4918000000e-03  7.7600000000e-05 -5.9944000000e-03
-
-JOB 331
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6818300000e-01 -5.2809200000e-01  4.3690000000e-01 -1.5016500000e-01  8.8959900000e-01  3.1983700000e-01 -1.2316680000e+00 -1.6458310000e+00  1.6898040000e+00 -7.2400100000e-01 -2.3822490000e+00  1.3489300000e+00 -6.9737000000e-01 -1.2954840000e+00  2.4025560000e+00
-ENERGY -1.526583152086e+02
-FORCES -1.1381000000e-02 -8.2190000000e-03  1.0622000000e-02  7.2670000000e-03  3.9926000000e-03 -5.8465000000e-03  2.1650000000e-04 -3.4897000000e-03  8.3390000000e-04  9.7115000000e-03  2.7134000000e-03 -1.6665000000e-03 -2.7332000000e-03  5.7899000000e-03  5.0210000000e-04 -3.0808000000e-03 -7.8720000000e-04 -4.4449000000e-03
-
-JOB 332
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2076900000e-01  5.2452400000e-01  6.8122000000e-01  7.0260100000e-01 -1.9701500000e-01 -6.1949100000e-01  1.3259250000e+00 -1.3996310000e+00 -1.8505180000e+00  2.2419610000e+00 -1.1291630000e+00 -1.9134150000e+00  9.7628200000e-01 -1.2697700000e+00 -2.7320620000e+00
-ENERGY -1.526569149306e+02
-FORCES  7.0204000000e-03 -7.5811000000e-03 -8.8849000000e-03  9.4340000000e-04 -2.7523000000e-03 -3.8530000000e-03 -1.2607000000e-03  8.2893000000e-03  6.5728000000e-03 -2.9313000000e-03  9.7890000000e-04 -1.2571000000e-03 -6.5195000000e-03  1.3560000000e-03  2.5593000000e-03  2.7478000000e-03 -2.9090000000e-04  4.8629000000e-03
-
-JOB 333
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2713200000e-01  8.0198100000e-01 -3.0102500000e-01  2.8477300000e-01 -4.3619000000e-01 -8.0304100000e-01 -1.2389990000e+00 -1.9384920000e+00 -1.7518910000e+00 -1.4893040000e+00 -1.0146220000e+00 -1.7584970000e+00 -8.3574000000e-01 -2.0717480000e+00 -8.9407100000e-01
-ENERGY -1.526537500731e+02
-FORCES -4.2810000000e-04  8.7060000000e-04 -6.3253000000e-03  7.0590000000e-04 -4.8790000000e-03  2.1340000000e-04 -5.0210000000e-03 -6.2220000000e-04  4.8094000000e-03 -1.7632000000e-03  5.2172000000e-03  9.3512000000e-03  3.7094000000e-03 -1.0453000000e-03 -2.2387000000e-03  2.7970000000e-03  4.5860000000e-04 -5.8100000000e-03
-
-JOB 334
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8121100000e-01 -7.1847100000e-01 -5.0468700000e-01 -5.6935700000e-01  7.4814700000e-01 -1.7983600000e-01 -4.4725900000e-01 -3.4166070000e+00  1.2786030000e+00 -1.2126490000e+00 -3.6803350000e+00  7.6786100000e-01 -3.7077400000e-01 -4.0854150000e+00  1.9591010000e+00
-ENERGY -1.526532902212e+02
-FORCES -3.6361000000e-03 -1.3782000000e-03 -2.0421000000e-03  8.6370000000e-04  3.9658000000e-03  6.6390000000e-04  2.2544000000e-03 -3.0722000000e-03  8.5920000000e-04 -2.3335000000e-03 -4.1268000000e-03  2.1185000000e-03  3.3419000000e-03  1.9365000000e-03  1.3329000000e-03 -4.9040000000e-04  2.6749000000e-03 -2.9324000000e-03
-
-JOB 335
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6767800000e-01  3.3183600000e-01  6.0026900000e-01  3.8384000000e-01 -7.9488600000e-01 -3.7021000000e-01  2.2522560000e+00  6.6500200000e-01 -1.3018450000e+00  2.5169410000e+00 -1.4179900000e-01 -8.5997800000e-01  1.3017310000e+00  6.9713300000e-01 -1.1936730000e+00
-ENERGY -1.526512275727e+02
-FORCES  1.0477700000e-02 -9.4950000000e-04  9.8200000000e-05 -1.8433000000e-03 -1.3434000000e-03 -6.3192000000e-03  1.9808000000e-03  6.9155000000e-03 -1.0885000000e-03 -1.3888400000e-02 -4.4416000000e-03  5.9862000000e-03 -3.3810000000e-03  1.7921000000e-03  5.2630000000e-04  6.6543000000e-03 -1.9731000000e-03  7.9710000000e-04
-
-JOB 336
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4795200000e-01 -8.1811700000e-01  3.5474800000e-01  3.6751000000e-01  6.8125200000e-01  5.6308400000e-01 -2.9549680000e+00 -1.9774590000e+00 -9.6807900000e-01 -3.4995210000e+00 -2.6621040000e+00 -1.3566080000e+00 -2.9045370000e+00 -2.2084200000e+00 -4.0530000000e-02
-ENERGY -1.526527604098e+02
-FORCES  3.0909000000e-03 -7.2050000000e-04  3.0040000000e-03 -1.5866000000e-03  3.4014000000e-03 -8.3680000000e-04 -1.7668000000e-03 -2.8699000000e-03 -2.4185000000e-03 -2.0068000000e-03 -2.9778000000e-03  2.5272000000e-03  2.4534000000e-03  3.0123000000e-03  1.5096000000e-03 -1.8410000000e-04  1.5440000000e-04 -3.7854000000e-03
-
-JOB 337
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0803000000e-01 -2.9361900000e-01 -7.5625700000e-01  8.9259800000e-01 -2.9409400000e-01 -1.8168400000e-01  6.8409400000e-01  2.1454640000e+00  1.4273910000e+00  2.7946400000e-01  2.6530510000e+00  7.2392700000e-01  5.1935000000e-01  1.2328650000e+00  1.1902120000e+00
-ENERGY -1.526561750962e+02
-FORCES  1.0300000000e-03  5.9762000000e-03  1.2323000000e-03  3.9562000000e-03  1.2331000000e-03  2.5327000000e-03 -5.0958000000e-03  3.1393000000e-03  2.6401000000e-03 -8.4358000000e-03 -1.0438900000e-02 -1.1286700000e-02  1.4558000000e-03  1.0025000000e-03  2.0797000000e-03  7.0896000000e-03 -9.1220000000e-04  2.8018000000e-03
-
-JOB 338
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6640800000e-01  3.3745000000e-01  8.8015200000e-01  7.5041100000e-01  5.0523000000e-01 -3.1282200000e-01  2.7469500000e-01 -2.6216620000e+00  2.3077800000e-01 -2.7549000000e-01 -2.8852760000e+00 -5.0681000000e-01  3.2707700000e-01 -1.6683430000e+00  1.6243100000e-01
-ENERGY -1.526594443738e+02
-FORCES  1.1002000000e-03 -5.0831000000e-03  2.6084000000e-03  2.3006000000e-03 -2.2445000000e-03 -5.1912000000e-03 -3.8853000000e-03 -3.6631000000e-03  2.5872000000e-03 -3.7830000000e-03  1.8668600000e-02 -4.3298000000e-03  1.4986000000e-03  7.5500000000e-04  1.6146000000e-03  2.7689000000e-03 -8.4328000000e-03  2.7109000000e-03
-
-JOB 339
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8354300000e-01  8.1622000000e-01 -3.2079800000e-01  7.2253200000e-01 -6.2760900000e-01 -1.6922000000e-02 -2.3993880000e+00 -7.6049600000e-01 -3.7075300000e-01 -2.4507590000e+00 -1.3491870000e+00  3.8226500000e-01 -1.4768970000e+00 -5.0918700000e-01 -4.1641400000e-01
-ENERGY -1.526559945642e+02
-FORCES -1.2931900000e-02 -3.5045000000e-03 -3.4448000000e-03 -9.3390000000e-04 -5.5126000000e-03  1.5949000000e-03 -4.2067000000e-03  3.9414000000e-03  1.1540000000e-04  2.2234100000e-02  6.7963000000e-03  5.7732000000e-03  1.0311000000e-03  7.6780000000e-04 -1.9252000000e-03 -5.1926000000e-03 -2.4884000000e-03 -2.1134000000e-03
-
-JOB 340
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7718900000e-01 -3.4090100000e-01 -8.7671100000e-01 -7.2471800000e-01 -5.3506600000e-01  3.2360500000e-01  1.5090420000e+00 -2.3836570000e+00  5.0884800000e-01  2.3949110000e+00 -2.7186880000e+00  3.7020100000e-01  1.5811710000e+00 -1.4422180000e+00  3.5161500000e-01
-ENERGY -1.526589247857e+02
-FORCES -5.2403000000e-03 -6.4023000000e-03 -1.3919000000e-03  2.4030000000e-03  1.3019000000e-03  5.2608000000e-03  2.8032000000e-03  3.7487000000e-03 -1.8522000000e-03  4.8570000000e-04  6.2859000000e-03  8.7880000000e-04 -3.4866000000e-03  2.9815000000e-03 -2.4390000000e-04  3.0350000000e-03 -7.9157000000e-03 -2.6517000000e-03
-
-JOB 341
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7417700000e-01  4.4697800000e-01  3.4218800000e-01 -1.2852700000e-01 -9.1832800000e-01  2.3745700000e-01  1.0968490000e+00  2.8305880000e+00  1.5587700000e+00  1.5420820000e+00  2.1069130000e+00  1.9995580000e+00  1.7050220000e+00  3.1038700000e+00  8.7198500000e-01
-ENERGY -1.526558760962e+02
-FORCES -4.6582000000e-03 -2.0760000000e-04  2.1448000000e-03  2.5198000000e-03 -3.7025000000e-03 -1.9364000000e-03  1.0000000000e-03  3.9806000000e-03 -4.6590000000e-04  4.7020000000e-03 -3.8282000000e-03 -2.6537000000e-03 -1.4797000000e-03  3.8658000000e-03 -2.6040000000e-04 -2.0839000000e-03 -1.0810000000e-04  3.1716000000e-03
-
-JOB 342
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1189000000e-01 -7.1014100000e-01  4.9221800000e-01  7.2876600000e-01  4.4985500000e-01 -4.2750700000e-01  1.4687210000e+00  1.3758480000e+00 -1.7005430000e+00  1.2144970000e+00  1.7639490000e+00 -2.5377880000e+00  2.1392000000e+00  1.9658910000e+00 -1.3562480000e+00
-ENERGY -1.526579372310e+02
-FORCES  8.0785000000e-03  6.5639000000e-03 -1.0301900000e-02  7.5970000000e-04  3.3462000000e-03 -2.5338000000e-03 -7.5730000000e-04 -3.6882000000e-03  8.3795000000e-03 -7.6787000000e-03 -2.2998000000e-03  1.6614000000e-03  3.6057000000e-03 -1.2210000000e-04  3.7170000000e-03 -4.0080000000e-03 -3.8001000000e-03 -9.2220000000e-04
-
-JOB 343
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3691200000e-01 -2.9141900000e-01 -8.0025900000e-01 -3.4277500000e-01 -8.0300500000e-01  3.9232800000e-01  1.3310030000e+00  5.2800400000e-01 -2.2528360000e+00  1.6462840000e+00  1.1617650000e+00 -1.6084930000e+00  5.4049500000e-01  9.2764500000e-01 -2.6156250000e+00
-ENERGY -1.526600322171e+02
-FORCES  6.0786000000e-03 -8.9940000000e-04 -9.9710000000e-03 -5.3286000000e-03  7.8750000000e-04  8.8051000000e-03  2.1349000000e-03  1.8662000000e-03 -3.9035000000e-03 -4.3958000000e-03  6.2814000000e-03  5.8907000000e-03 -2.0114000000e-03 -4.7697000000e-03 -3.2142000000e-03  3.5223000000e-03 -3.2661000000e-03  2.3929000000e-03
-
-JOB 344
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7149900000e-01 -8.9200900000e-01 -3.0189200000e-01 -2.2771000000e-02  5.3127100000e-01 -7.9590500000e-01 -2.4505870000e+00  2.6511960000e+00  1.3794540000e+00 -2.5001220000e+00  2.5071280000e+00  4.3445500000e-01 -1.8096640000e+00  3.3547580000e+00  1.4816830000e+00
-ENERGY -1.526529085975e+02
-FORCES -7.3600000000e-04 -2.2037000000e-03 -3.9374000000e-03  7.6900000000e-04  3.8435000000e-03  1.1446000000e-03 -4.4610000000e-04 -1.4834000000e-03  3.3967000000e-03  3.6026000000e-03  8.8420000000e-04 -3.1787000000e-03 -2.8700000000e-04  1.3299000000e-03  3.1713000000e-03 -2.9024000000e-03 -2.3706000000e-03 -5.9650000000e-04
-
-JOB 345
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3172200000e-01  6.6019900000e-01  4.4456900000e-01 -2.0577900000e-01  1.1133200000e-01 -9.2816600000e-01  2.6207410000e+00  4.9009200000e-01  6.1742300000e-01  3.0660400000e+00  2.0893200000e-01  1.4167280000e+00  1.7322870000e+00  1.4441800000e-01  7.0340100000e-01
-ENERGY -1.526601567650e+02
-FORCES  2.8078000000e-03  4.2752000000e-03 -4.0426000000e-03  3.3471000000e-03 -3.2908000000e-03 -1.8245000000e-03 -1.1444000000e-03 -9.4800000000e-05  4.6876000000e-03 -1.0253700000e-02 -3.6450000000e-03 -2.0818000000e-03 -3.7556000000e-03  4.3760000000e-04 -2.2283000000e-03  8.9989000000e-03  2.3178000000e-03  5.4896000000e-03
-
-JOB 346
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7043000000e-02 -6.9874800000e-01  6.5251100000e-01 -9.3727300000e-01  1.4689900000e-01 -1.2716800000e-01 -2.3252440000e+00  1.3387980000e+00 -3.5111000000e-01 -1.8545490000e+00  1.5536270000e+00 -1.1564220000e+00 -3.0093720000e+00  2.0052870000e+00 -2.8792800000e-01
-ENERGY -1.526573724318e+02
-FORCES -9.8728000000e-03  2.6926000000e-03  3.3356000000e-03 -8.4560000000e-04  2.3826000000e-03 -1.6470000000e-03  5.7589000000e-03 -8.6290000000e-04 -6.1381000000e-03  3.5452000000e-03  1.6192000000e-03  6.3400000000e-04 -2.2008000000e-03 -4.0609000000e-03  5.4185000000e-03  3.6151000000e-03 -1.7706000000e-03 -1.6030000000e-03
-
-JOB 347
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9271000000e-02 -7.5545200000e-01 -5.8481800000e-01 -8.5980600000e-01  4.8007000000e-02  4.1792500000e-01 -2.2926020000e+00  3.3103200000e-01  1.1221330000e+00 -2.9359980000e+00 -1.8678400000e-01  6.3825300000e-01 -2.4774240000e+00  1.4420500000e-01  2.0425510000e+00
-ENERGY -1.526564574960e+02
-FORCES -1.8977800000e-02  2.3960000000e-03  9.9731000000e-03 -2.6932000000e-03  2.0712000000e-03  2.3269000000e-03  6.1741000000e-03 -3.1036000000e-03 -6.1648000000e-03  1.0248600000e-02 -3.2432000000e-03 -3.1389000000e-03  5.5876000000e-03  1.5110000000e-03  2.7301000000e-03 -3.3930000000e-04  3.6860000000e-04 -5.7265000000e-03
-
-JOB 348
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1365700000e-01 -6.1429400000e-01 -5.2443400000e-01 -4.3609700000e-01 -5.4785300000e-01  6.5261600000e-01  7.5565900000e-01  1.7969600000e+00  1.7683400000e+00  1.0643480000e+00  2.6564790000e+00  1.4816870000e+00  8.1465000000e-01  1.2477900000e+00  9.8657000000e-01
-ENERGY -1.526593827977e+02
-FORCES -9.5330000000e-04  8.6030000000e-04  7.1372000000e-03 -1.8708000000e-03  3.7428000000e-03  3.6637000000e-03  3.3012000000e-03  1.7623000000e-03 -4.6307000000e-03 -3.8462000000e-03 -8.6086000000e-03 -1.1935700000e-02 -7.6400000000e-04 -3.6829000000e-03 -1.1913000000e-03  4.1332000000e-03  5.9260000000e-03  6.9568000000e-03
-
-JOB 349
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3929900000e-01  9.3771700000e-01  1.3234100000e-01 -3.7295600000e-01 -4.1048000000e-01  7.8015500000e-01 -9.3013600000e-01  7.0776700000e-01  2.4932890000e+00 -3.7378000000e-02  6.7145700000e-01  2.8366500000e+00 -1.3817520000e+00  1.3293070000e+00  3.0642210000e+00
-ENERGY -1.526574464230e+02
-FORCES -7.8884000000e-03  5.3956000000e-03  1.0499300000e-02  2.8887000000e-03 -9.6700000000e-04 -3.1504000000e-03  4.5778000000e-03 -2.6756000000e-03 -1.9556000000e-03  2.0343000000e-03  4.8030000000e-04  3.5760000000e-04 -4.9302000000e-03 -2.9940000000e-04 -2.6593000000e-03  3.3179000000e-03 -1.9339000000e-03 -3.0915000000e-03
-
-JOB 350
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8356700000e-01  7.6168000000e-02  8.2255300000e-01  8.8251500000e-01  3.0451900000e-01  2.1134700000e-01 -1.8007870000e+00  4.0741200000e-01  1.8340930000e+00 -1.6266290000e+00 -2.8675400000e-01  2.4697300000e+00 -2.5581200000e+00  9.5011000000e-02  1.3390330000e+00
-ENERGY -1.526570206311e+02
-FORCES -1.2670900000e-02  5.6092000000e-03  1.4041000000e-02  7.5789000000e-03 -6.2687000000e-03 -4.3963000000e-03 -3.7404000000e-03 -7.4050000000e-04  1.9680000000e-03  1.5088000000e-03 -2.9561000000e-03 -8.5858000000e-03  2.4889000000e-03  3.4797000000e-03 -6.6968000000e-03  4.8348000000e-03  8.7650000000e-04  3.6700000000e-03
-
-JOB 351
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2111900000e-01  7.6664800000e-01  4.7472700000e-01  3.0693300000e-01 -7.4666900000e-01  5.1430500000e-01  2.5446460000e+00  3.5233000000e-01 -1.0247110000e+00  2.7618540000e+00  1.2385040000e+00 -1.3141050000e+00  1.7249170000e+00  4.5211000000e-01 -5.4064400000e-01
-ENERGY -1.526524176038e+02
-FORCES  3.0039000000e-03 -2.6214000000e-03  2.9982000000e-03  6.0678000000e-03 -4.6983000000e-03 -8.7540000000e-03 -4.5370000000e-04  5.4448000000e-03 -3.5903000000e-03 -1.1948900000e-02 -4.5800000000e-04  7.3840000000e-04 -2.7142000000e-03 -2.7698000000e-03  2.2882000000e-03  6.0451000000e-03  5.1027000000e-03  6.3196000000e-03
-
-JOB 352
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8896600000e-01  2.9041200000e-01 -2.0404000000e-01  7.7892000000e-02 -4.3168700000e-01  8.5077100000e-01  6.5191900000e-01 -1.5688490000e+00 -2.1412870000e+00 -1.3674000000e-02 -1.2267860000e+00 -1.5444530000e+00  2.1454600000e-01 -1.6073930000e+00 -2.9918470000e+00
-ENERGY -1.526608817768e+02
-FORCES  7.0782000000e-03 -1.3817000000e-03 -6.6190000000e-04 -5.1424000000e-03 -1.0836000000e-03  2.2327000000e-03  2.3800000000e-05  1.5136000000e-03 -4.4415000000e-03 -5.6420000000e-03  4.9117000000e-03  6.7353000000e-03  3.3583000000e-03 -5.2654000000e-03 -7.8634000000e-03  3.2410000000e-04  1.3054000000e-03  3.9988000000e-03
-
-JOB 353
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7015900000e-01 -5.4032700000e-01 -1.7644800000e-01  7.4157000000e-01 -5.4788400000e-01 -2.5715400000e-01  2.4981190000e+00  1.4465740000e+00 -1.1164170000e+00  3.1551670000e+00  1.5498940000e+00 -4.2805300000e-01  2.4972210000e+00  5.0885100000e-01 -1.3085240000e+00
-ENERGY -1.526499533448e+02
-FORCES  7.0970000000e-04 -3.1394000000e-03 -2.0794000000e-03  3.6162000000e-03  2.9269000000e-03  4.9410000000e-04 -1.2325000000e-03  1.5938000000e-03  9.0100000000e-05  8.5650000000e-04 -2.5919000000e-03  2.6760000000e-03 -2.8368000000e-03 -7.2820000000e-04 -3.0866000000e-03 -1.1131000000e-03  1.9388000000e-03  1.9058000000e-03
-
-JOB 354
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3790000000e-03  1.2796600000e-01 -9.4859200000e-01 -1.5037800000e-01 -9.3832600000e-01  1.1473100000e-01  1.5608800000e-01 -2.9941400000e-01 -3.1396790000e+00  4.8098300000e-01  5.6533200000e-01 -2.8889030000e+00  4.7910600000e-01 -4.2778300000e-01 -4.0315380000e+00
-ENERGY -1.526559875656e+02
-FORCES -1.2864000000e-03 -6.3038000000e-03 -5.7175000000e-03  1.9269000000e-03  5.3478000000e-03  2.6254000000e-03  5.0520000000e-04  3.4352000000e-03  1.4010000000e-03  3.4331000000e-03  2.1837000000e-03 -5.3573000000e-03 -3.1160000000e-03 -5.5905000000e-03  3.2868000000e-03 -1.4628000000e-03  9.2760000000e-04  3.7615000000e-03
-
-JOB 355
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5479000000e-01  3.4488300000e-01 -6.0707300000e-01 -8.1543500000e-01  4.3075200000e-01 -2.5641800000e-01  2.3096770000e+00 -1.4008020000e+00  1.5693290000e+00  2.4738050000e+00 -1.6011780000e+00  6.4784000000e-01  1.6939630000e+00 -6.6817500000e-01  1.5496420000e+00
-ENERGY -1.526572849308e+02
-FORCES -3.1772000000e-03  3.1965000000e-03 -4.2464000000e-03 -1.9219000000e-03 -2.4288000000e-03  4.0352000000e-03  3.9554000000e-03 -1.8714000000e-03  5.1070000000e-04 -6.2807000000e-03  2.1573000000e-03 -4.6608000000e-03  8.9500000000e-04  1.1648000000e-03  2.7529000000e-03  6.5293000000e-03 -2.2183000000e-03  1.6083000000e-03
-
-JOB 356
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3173000000e-01 -3.6839800000e-01  7.7079400000e-01  9.3084100000e-01 -5.5400000000e-04  2.2308400000e-01 -2.1579700000e-01  2.2103000000e-01 -2.7850690000e+00  4.0539000000e-02  2.6413800000e-01 -1.8638380000e+00  5.8328500000e-01 -3.6704000000e-02 -3.2447140000e+00
-ENERGY -1.526583131122e+02
-FORCES -2.4997000000e-03 -2.5016000000e-03  9.8040000000e-04  3.8114000000e-03  1.8400000000e-03 -2.0398000000e-03 -4.6799000000e-03 -1.3610000000e-04 -3.3037000000e-03  1.1638000000e-03 -1.8810000000e-03  9.6641000000e-03  4.1002000000e-03  1.9109000000e-03 -8.3503000000e-03 -1.8958000000e-03  7.6770000000e-04  3.0493000000e-03
-
-JOB 357
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8724300000e-01  6.7900300000e-01  4.6667000000e-01 -9.0272800000e-01  3.1805400000e-01 -1.2487000000e-02 -1.2645200000e-01  5.2548900000e-01  3.1152550000e+00 -4.8982300000e-01 -1.4017100000e-01  2.5312260000e+00  1.4612200000e-01  3.9136000000e-02  3.8933260000e+00
-ENERGY -1.526586893487e+02
-FORCES  2.0550000000e-04  6.5390000000e-03  5.6690000000e-04 -2.7568000000e-03 -4.1599000000e-03 -3.4650000000e-03  3.5783000000e-03 -2.7313000000e-03  1.5487000000e-03 -1.0460000000e-04 -5.9205000000e-03  4.8030000000e-04  3.3180000000e-04  4.6993000000e-03  4.2178000000e-03 -1.2542000000e-03  1.5735000000e-03 -3.3486000000e-03
-
-JOB 358
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5257600000e-01 -9.1293000000e-02  2.2299000000e-02 -3.2412400000e-01 -7.4054100000e-01  5.1261600000e-01  2.3714600000e+00  7.3567800000e-01 -1.0322880000e+00  2.5178390000e+00  1.6084940000e+00 -6.6760200000e-01  3.2403590000e+00  3.3455600000e-01 -1.0509330000e+00
-ENERGY -1.526578746482e+02
-FORCES  9.6581000000e-03  1.0660000000e-03 -3.9215000000e-03 -7.3821000000e-03 -2.7536000000e-03  6.1415000000e-03  3.4852000000e-03  2.1348000000e-03 -2.2779000000e-03 -5.4320000000e-04  3.6209000000e-03  4.5900000000e-05  8.7000000000e-06 -5.3558000000e-03 -1.2927000000e-03 -5.2268000000e-03  1.2877000000e-03  1.3046000000e-03
-
-JOB 359
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6168600000e-01  9.3938300000e-01  8.7458000000e-02 -8.4079300000e-01 -5.7567000000e-02 -4.5385600000e-01 -2.8508770000e+00  3.7031500000e-01  9.3440000000e-03 -3.2827270000e+00  2.4027700000e-01 -8.3494800000e-01 -2.8028070000e+00 -5.0584700000e-01  3.9178500000e-01
-ENERGY -1.526573419071e+02
-FORCES -1.0361500000e-02  7.1427000000e-03 -4.0930000000e-04  1.2629000000e-03 -3.0683000000e-03 -4.3550000000e-04  5.2826000000e-03 -5.2997000000e-03 -8.7940000000e-04 -2.4095000000e-03 -3.5357000000e-03  2.5248000000e-03  5.0294000000e-03  2.1290000000e-04  3.6546000000e-03  1.1961000000e-03  4.5481000000e-03 -4.4552000000e-03
-
-JOB 360
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3695100000e-01  5.5739000000e-02 -1.8774600000e-01 -3.9922300000e-01  6.5290300000e-01 -5.7495300000e-01  2.6094760000e+00  1.0568100000e-01  1.6257100000e-01  2.8847050000e+00  9.0725100000e-01  6.0750500000e-01  2.8678770000e+00  2.3676800000e-01 -7.4972200000e-01
-ENERGY -1.526555144373e+02
-FORCES  1.8113800000e-02  9.1740000000e-04  1.6629000000e-03 -8.3147000000e-03  8.3120000000e-04 -6.7091000000e-03  4.3651000000e-03 -1.3584000000e-03  1.4757000000e-03 -6.2339000000e-03  3.5442000000e-03  2.3215000000e-03 -9.4130000000e-04 -4.1075000000e-03 -3.8133000000e-03 -6.9890000000e-03  1.7310000000e-04  5.0623000000e-03
-
-JOB 361
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6004800000e-01  3.7799000000e-01  8.0232200000e-01  7.6038200000e-01 -1.2832800000e-01 -5.6708300000e-01  2.8844510000e+00  1.2087620000e+00 -1.2305150000e+00  3.7178240000e+00  7.5653800000e-01 -1.3617230000e+00  2.9153980000e+00  1.5103370000e+00 -3.2259100000e-01
-ENERGY -1.526567639745e+02
-FORCES  5.9866000000e-03  1.8704000000e-03 -1.3076000000e-03 -9.2140000000e-04 -1.0129000000e-03 -2.5113000000e-03 -5.5014000000e-03 -1.8147000000e-03  4.4429000000e-03  5.8758000000e-03  1.9679000000e-03  2.0676000000e-03 -4.2482000000e-03  1.8201000000e-03  9.0850000000e-04 -1.1914000000e-03 -2.8309000000e-03 -3.6001000000e-03
-
-JOB 362
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2489600000e-01  3.7419600000e-01  7.7179800000e-01 -8.6979300000e-01 -2.5715100000e-01  3.0588300000e-01  1.0449420000e+00  1.5718850000e+00  2.0710150000e+00  6.7202300000e-01  1.3034030000e+00  2.9107060000e+00  8.4957900000e-01  2.5069240000e+00  2.0096480000e+00
-ENERGY -1.526599594438e+02
-FORCES  3.1081000000e-03  6.7995000000e-03  1.0016000000e-02 -4.2747000000e-03 -7.5971000000e-03 -5.7835000000e-03  2.7463000000e-03  1.2159000000e-03  5.2900000000e-05 -2.9829000000e-03  3.3838000000e-03 -9.0050000000e-04  5.3090000000e-04  7.6780000000e-04 -5.5246000000e-03  8.7230000000e-04 -4.5699000000e-03  2.1396000000e-03
-
-JOB 363
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3482400000e-01 -4.5040000000e-01 -8.3378300000e-01  6.3193300000e-01 -5.4568700000e-01  4.6810000000e-01  4.2354000000e-01  2.6339250000e+00  6.1166400000e-01 -4.7394300000e-01  2.9603040000e+00  6.7672700000e-01  3.2941300000e-01  1.6832710000e+00  5.5143100000e-01
-ENERGY -1.526596367216e+02
-FORCES  1.6591000000e-03  3.1010000000e-03 -3.4172000000e-03  8.5360000000e-04  3.0000000000e-05  4.8436000000e-03 -2.9336000000e-03  4.2185000000e-03 -2.6957000000e-03 -5.4685000000e-03 -1.2628200000e-02 -3.9262000000e-03  2.3425000000e-03 -8.2760000000e-04 -5.2060000000e-04  3.5469000000e-03  6.1062000000e-03  5.7162000000e-03
-
-JOB 364
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1960400000e-01  2.4269000000e-02 -6.3072400000e-01 -6.4725500000e-01 -5.8303600000e-01 -3.9668800000e-01 -1.4655480000e+00 -2.0899000000e+00 -1.6268150000e+00 -8.8687000000e-01 -2.8180110000e+00 -1.4005000000e+00 -1.1029220000e+00 -1.7390280000e+00 -2.4402170000e+00
-ENERGY -1.526593890210e+02
-FORCES -3.6904000000e-03 -5.7917000000e-03 -6.0945000000e-03 -2.3401000000e-03 -5.1400000000e-04  1.5451000000e-03  6.2494000000e-03  6.4758000000e-03  4.1478000000e-03  2.5740000000e-03 -4.4371000000e-03 -4.0757000000e-03 -2.3277000000e-03  4.8767000000e-03 -1.1881000000e-03 -4.6520000000e-04 -6.0980000000e-04  5.6655000000e-03
-
-JOB 365
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6131900000e-01  1.7022000000e-02  8.3852700000e-01  6.7536800000e-01  1.9566700000e-01 -6.4948000000e-01  4.1215300000e-01 -1.0307830000e+00 -2.8779990000e+00 -3.2881800000e-01 -1.6321900000e+00 -2.8038060000e+00  7.2950700000e-01 -1.1502470000e+00 -3.7731230000e+00
-ENERGY -1.526580934685e+02
-FORCES  4.9853000000e-03  3.5130000000e-04 -2.2503000000e-03 -1.4787000000e-03 -2.2110000000e-04 -3.4537000000e-03 -2.1850000000e-03  1.4136000000e-03  6.6675000000e-03 -3.6044000000e-03 -3.8664000000e-03 -2.5864000000e-03  3.6433000000e-03  1.9575000000e-03 -2.3087000000e-03 -1.3605000000e-03  3.6520000000e-04  3.9316000000e-03
-
-JOB 366
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2980300000e-01 -4.8783000000e-02 -8.9726400000e-01  2.6942000000e-01 -8.2682700000e-01  4.0000100000e-01  2.0560610000e+00 -2.0710750000e+00  2.9260400000e-01  2.4871510000e+00 -2.3465820000e+00  1.1016090000e+00  1.5096210000e+00 -2.8171950000e+00  4.5742000000e-02
-ENERGY -1.526571455306e+02
-FORCES  9.8350000000e-03 -6.5554000000e-03 -1.1765000000e-03 -2.8736000000e-03  8.2850000000e-04  1.7721000000e-03 -7.2127000000e-03  1.7915000000e-03 -3.8060000000e-04  2.5203000000e-03 -3.2207000000e-03  2.0032000000e-03 -2.8047000000e-03  1.0397000000e-03 -3.9783000000e-03  5.3580000000e-04  6.1164000000e-03  1.7601000000e-03
-
-JOB 367
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6459900000e-01 -4.8998000000e-02  5.7377700000e-01 -1.8355800000e-01 -6.2809100000e-01 -6.9859900000e-01 -3.8499000000e-01  2.2892730000e+00 -2.0570060000e+00  3.7413000000e-01  1.7780890000e+00 -2.3374680000e+00 -4.2628500000e-01  2.1576420000e+00 -1.1097990000e+00
-ENERGY -1.526579670932e+02
-FORCES -4.4342000000e-03 -4.4372000000e-03 -1.3415000000e-03  3.3855000000e-03  1.3012000000e-03 -2.9404000000e-03  1.5429000000e-03  2.8579000000e-03  3.1560000000e-03  4.6425000000e-03 -5.8589000000e-03  6.4306000000e-03 -2.7487000000e-03  1.6667000000e-03 -1.3310000000e-03 -2.3879000000e-03  4.4703000000e-03 -3.9737000000e-03
-
-JOB 368
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4615300000e-01 -1.9985200000e-01 -5.6528500000e-01  2.4879400000e-01 -8.4417800000e-01  3.7642600000e-01 -1.3240100000e+00 -4.6358100000e-01 -2.9598550000e+00 -1.0311210000e+00 -5.5270900000e-01 -3.8667750000e+00 -8.6131000000e-01  3.0796200000e-01 -2.6329580000e+00
-ENERGY -1.526571442593e+02
-FORCES -2.5250000000e-03 -6.8188000000e-03 -7.4380000000e-04  4.2210000000e-03  4.7953000000e-03  1.4005000000e-03 -6.6560000000e-04  3.5422000000e-03 -6.9400000000e-04  4.2600000000e-03  2.6675000000e-03 -4.7061000000e-03 -1.3325000000e-03  6.7990000000e-04  3.5302000000e-03 -3.9579000000e-03 -4.8660000000e-03  1.2131000000e-03
-
-JOB 369
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8612500000e-01 -1.4632900000e-01  8.6355500000e-01 -8.9021400000e-01 -3.4396500000e-01  7.3749000000e-02 -5.6768700000e-01  2.1599180000e+00 -1.9530020000e+00 -9.0438700000e-01  1.2735940000e+00 -1.8214890000e+00 -1.3011870000e+00  2.6408720000e+00 -2.3362680000e+00
-ENERGY -1.526532531159e+02
-FORCES -9.6300000000e-05  1.0280000000e-04  5.4043000000e-03 -1.9329000000e-03  4.2900000000e-05 -3.4606000000e-03  3.3961000000e-03  2.8221000000e-03 -2.9687000000e-03 -1.6884000000e-03 -4.1932000000e-03  1.3494000000e-03 -2.4936000000e-03  3.6204000000e-03 -2.8167000000e-03  2.8151000000e-03 -2.3949000000e-03  2.4923000000e-03
-
-JOB 370
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3160000000e-03 -7.1383000000e-01  6.3764500000e-01 -8.8881700000e-01  3.5217800000e-01  4.6985000000e-02 -2.5153780000e+00  9.5446300000e-01  4.3970000000e-03 -2.5626580000e+00  1.5455930000e+00 -7.4697600000e-01 -2.2940920000e+00  1.5220330000e+00  7.4272600000e-01
-ENERGY -1.526584265910e+02
-FORCES -1.7216300000e-02  2.3028000000e-03 -2.9900000000e-04 -1.1629000000e-03  2.8738000000e-03 -1.1392000000e-03  1.0372100000e-02  1.5916000000e-03  3.6284000000e-03  3.8643000000e-03  2.1636000000e-03 -1.9439000000e-03  1.3178000000e-03 -3.1523000000e-03  5.0063000000e-03  2.8250000000e-03 -5.7795000000e-03 -5.2527000000e-03
-
-JOB 371
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9709200000e-01 -3.8433100000e-01 -7.2209400000e-01  6.6672800000e-01  3.5192700000e-01  5.8979100000e-01 -1.7139030000e+00 -2.5812290000e+00 -7.6320800000e-01 -1.7099690000e+00 -1.6947500000e+00 -1.1242780000e+00 -8.5332500000e-01 -2.6781060000e+00 -3.5546800000e-01
-ENERGY -1.526554755989e+02
-FORCES  5.2013000000e-03  1.9458000000e-03  7.3740000000e-04 -4.0589000000e-03 -5.8000000000e-05  3.3659000000e-03 -2.6862000000e-03 -1.9957000000e-03 -2.8358000000e-03  3.3970000000e-03  6.5157000000e-03  3.5168000000e-03  2.1970000000e-04 -4.7646000000e-03 -1.6397000000e-03 -2.0729000000e-03 -1.6432000000e-03 -3.1446000000e-03
-
-JOB 372
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9687900000e-01  4.9228300000e-01  1.9716100000e-01  2.8163600000e-01 -9.1461600000e-01 -1.9757000000e-02  2.3515700000e+00  8.9931600000e-01  8.8547300000e-01  2.9017490000e+00  9.6113200000e-01  1.0463100000e-01  1.9269400000e+00  1.7548790000e+00  9.4820100000e-01
-ENERGY -1.526546574902e+02
-FORCES  1.8675500000e-02  1.0388000000e-03  7.7644000000e-03 -6.2365000000e-03  6.9023000000e-03 -3.5489000000e-03 -1.3315000000e-03  1.8654000000e-03 -1.0322000000e-03 -3.5557000000e-03  3.9040000000e-04 -2.7359000000e-03 -5.5546000000e-03 -1.2192000000e-03  3.6808000000e-03 -1.9972000000e-03 -8.9777000000e-03 -4.1281000000e-03
-
-JOB 373
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2416200000e-01  1.1691200000e-01  2.2019900000e-01 -4.4294000000e-01 -5.7989000000e-02  8.4656500000e-01 -1.6671440000e+00 -7.5917100000e-01 -2.1896010000e+00 -1.3645800000e+00 -6.2350000000e-03 -1.6818870000e+00 -2.1867350000e+00 -3.7814500000e-01 -2.8974690000e+00
-ENERGY -1.526582353716e+02
-FORCES  2.4432000000e-03 -2.1128000000e-03  3.0283000000e-03 -4.1268000000e-03 -6.1760000000e-04  2.1000000000e-06  2.1514000000e-03  1.0080000000e-03 -3.9092000000e-03  3.3339000000e-03  4.2904000000e-03  3.3220000000e-03 -6.3992000000e-03 -1.8552000000e-03 -5.7027000000e-03  2.5975000000e-03 -7.1280000000e-04  3.2595000000e-03
-
-JOB 374
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5550500000e-01 -4.2923500000e-01  1.0036000000e-02 -5.4362800000e-01 -5.3479700000e-01  5.7852600000e-01  2.7040200000e+00 -1.9303900000e-01 -2.3130000000e-02  2.4696920000e+00 -3.0654900000e-01  8.9797600000e-01  3.2197810000e+00 -9.7049000000e-01 -2.3712000000e-01
-ENERGY -1.526545883905e+02
-FORCES  1.0321700000e-02 -2.1884000000e-03 -2.8701000000e-03 -6.6628000000e-03 -9.5760000000e-04  8.0288000000e-03  4.9711000000e-03  1.3185000000e-03 -1.2797000000e-03  4.4690000000e-04  4.9050000000e-04  2.6686000000e-03 -4.5768000000e-03 -2.3877000000e-03 -8.0780000000e-03 -4.5001000000e-03  3.7247000000e-03  1.5304000000e-03
-
-JOB 375
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7195200000e-01  3.8063600000e-01  1.0511200000e-01  2.9801900000e-01 -1.6769500000e-01  8.9403300000e-01  1.2149650000e+00  1.8520950000e+00 -1.6624060000e+00  4.4246600000e-01  1.6790490000e+00 -1.1243240000e+00  1.1664300000e+00  2.7878250000e+00 -1.8580720000e+00
-ENERGY -1.526542454553e+02
-FORCES  1.6366000000e-03 -5.5520000000e-04  3.8716000000e-03  6.6183000000e-03  2.0232000000e-03 -2.8306000000e-03 -2.3019000000e-03  4.3900000000e-04 -4.1048000000e-03 -3.9848000000e-03 -4.2815000000e-03  5.0968000000e-03 -9.6910000000e-04  6.6621000000e-03 -4.3433000000e-03 -9.9900000000e-04 -4.2876000000e-03  2.3104000000e-03
-
-JOB 376
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5335100000e-01 -6.9833800000e-01 -4.1102000000e-02 -8.4098400000e-01 -4.5581000000e-01 -3.4860000000e-02  7.3721400000e-01  2.5165170000e+00  8.3234100000e-01  5.4390400000e-01  1.7245880000e+00  3.3063300000e-01  1.3523170000e+00  3.0037300000e+00  2.8415900000e-01
-ENERGY -1.526604371563e+02
-FORCES -6.6020000000e-04  7.7540000000e-04  2.6137000000e-03 -3.7477000000e-03  2.8808000000e-03 -3.6980000000e-04  4.7652000000e-03  1.7510000000e-04 -4.8700000000e-05 -2.8918000000e-03 -9.3815000000e-03 -4.6894000000e-03  4.2880000000e-03  8.6940000000e-03  1.5018000000e-03 -1.7534000000e-03 -3.1437000000e-03  9.9230000000e-04
-
-JOB 377
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8724200000e-01  2.4045900000e-01  7.1663000000e-01  3.8617200000e-01  4.0928600000e-01 -7.7433100000e-01 -1.8459770000e+00 -1.1101520000e+00 -2.4146570000e+00 -2.3871720000e+00 -1.6553530000e+00 -2.9857050000e+00 -1.6322670000e+00 -1.6771070000e+00 -1.6736300000e+00
-ENERGY -1.526571729926e+02
-FORCES  3.7365000000e-03  3.9767000000e-03 -1.0632000000e-03 -2.3984000000e-03 -8.6700000000e-04 -3.0951000000e-03 -2.3830000000e-04 -1.6922000000e-03  4.6817000000e-03 -1.2626000000e-03 -4.2712000000e-03  2.4801000000e-03  2.1542000000e-03  2.0702000000e-03  2.5155000000e-03 -1.9914000000e-03  7.8350000000e-04 -5.5190000000e-03
-
-JOB 378
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7762000000e-01 -1.3228700000e-01 -8.6956100000e-01 -5.5917700000e-01  7.7094000000e-01 -9.5940000000e-02 -2.5869140000e+00 -1.3191280000e+00  5.5466500000e-01 -2.1038210000e+00 -8.2734500000e-01  1.2187460000e+00 -2.6340470000e+00 -2.2096430000e+00  9.0250600000e-01
-ENERGY -1.526539436034e+02
-FORCES -4.1336000000e-03 -4.7880000000e-04 -6.1671000000e-03 -6.0840000000e-04  1.1264000000e-03  3.3874000000e-03  2.2919000000e-03 -2.9426000000e-03  2.3028000000e-03  7.3680000000e-03 -6.8320000000e-04  3.0187000000e-03 -5.1316000000e-03 -1.7520000000e-04 -1.0161000000e-03  2.1390000000e-04  3.1535000000e-03 -1.5258000000e-03
-
-JOB 379
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0280500000e-01  5.2079300000e-01  2.2578000000e-02  5.0810000000e-02 -4.8367100000e-01 -8.2444700000e-01 -3.0916700000e-01 -1.0635380000e+00  2.8225710000e+00 -8.3953100000e-01 -8.9795000000e-01  2.0431310000e+00 -8.5303100000e-01 -7.6386400000e-01  3.5510210000e+00
-ENERGY -1.526583873976e+02
-FORCES  5.8834000000e-03  7.2100000000e-04 -1.7494000000e-03 -3.5470000000e-03 -1.7065000000e-03 -1.8995000000e-03 -2.7530000000e-04  1.9637000000e-03  3.6853000000e-03 -3.3012000000e-03  2.6398000000e-03 -4.3241000000e-03 -8.0310000000e-04 -3.0523000000e-03  7.4801000000e-03  2.0433000000e-03 -5.6560000000e-04 -3.1924000000e-03
-
-JOB 380
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8655900000e-01  8.7552300000e-01  1.6243000000e-02  4.1942400000e-01 -4.3377300000e-01 -7.4307200000e-01  2.3985510000e+00 -1.1367700000e+00 -1.0999590000e+00  2.6720630000e+00 -6.6107600000e-01 -1.8842660000e+00  2.9392720000e+00 -1.9266110000e+00 -1.0975540000e+00
-ENERGY -1.526567833943e+02
-FORCES  1.0193900000e-02 -2.2682000000e-03 -3.3128000000e-03 -1.8799000000e-03 -2.1123000000e-03 -3.9040000000e-04 -6.3984000000e-03  4.2033000000e-03  1.1280000000e-04  3.2327000000e-03 -2.4324000000e-03 -1.5430000000e-04 -3.2821000000e-03 -1.6420000000e-03  4.2476000000e-03 -1.8661000000e-03  4.2515000000e-03 -5.0290000000e-04
-
-JOB 381
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4681600000e-01  3.5166000000e-02  1.3614000000e-01 -1.2993600000e-01 -7.4055800000e-01 -5.9238700000e-01 -2.5891020000e+00  6.9772100000e-01  8.1926600000e-01 -2.3251450000e+00  1.7225400000e-01  6.3989000000e-02 -1.7663930000e+00  9.2661500000e-01  1.2516900000e+00
-ENERGY -1.526558723162e+02
-FORCES  4.5000000000e-04 -2.3132000000e-03 -1.2678000000e-03 -4.7113000000e-03 -1.6240000000e-04 -1.7570000000e-04 -1.0654000000e-03  4.2106000000e-03  2.7592000000e-03  1.3169400000e-02 -2.3196000000e-03 -3.3553000000e-03 -3.3361000000e-03 -1.4127000000e-03 -6.5350000000e-04 -4.5066000000e-03  1.9973000000e-03  2.6931000000e-03
-
-JOB 382
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2130700000e-01 -2.7892600000e-01 -4.0483000000e-01 -2.4681100000e-01  2.6378100000e-01  8.8641700000e-01 -6.6945700000e-01  1.1556950000e+00  2.2435460000e+00 -1.6053020000e+00  1.0730590000e+00  2.4268400000e+00 -2.4312800000e-01  9.5604600000e-01  3.0769810000e+00
-ENERGY -1.526572311274e+02
-FORCES -5.9212000000e-03  8.7792000000e-03  1.6549200000e-02  1.1907000000e-03  1.5831000000e-03  2.8438000000e-03  1.1103000000e-03 -5.7754000000e-03 -7.2113000000e-03  1.2469000000e-03 -4.3207000000e-03 -5.7899000000e-03  5.6030000000e-03 -9.1370000000e-04 -1.5311000000e-03 -3.2295000000e-03  6.4750000000e-04 -4.8607000000e-03
-
-JOB 383
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3653400000e-01 -1.7404400000e-01  9.3128900000e-01 -3.2937900000e-01 -8.2658200000e-01 -3.5285100000e-01 -3.0343460000e+00  2.7568400000e-01 -6.0770200000e-01 -2.5587720000e+00 -3.9009000000e-01 -1.1090700000e-01 -3.9561630000e+00  3.9573000000e-02 -5.0407900000e-01
-ENERGY -1.526519629690e+02
-FORCES  1.0555000000e-03 -2.6605000000e-03  9.5890000000e-04 -1.8157000000e-03  5.2600000000e-04 -4.3382000000e-03 -1.3156000000e-03  3.8110000000e-03  3.2540000000e-03  6.0200000000e-05 -2.3074000000e-03  3.0983000000e-03 -2.5480000000e-03 -5.2260000000e-04 -2.8472000000e-03  4.5637000000e-03  1.1534000000e-03 -1.2590000000e-04
-
-JOB 384
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1457400000e-01  8.8330600000e-01 -1.9247100000e-01 -6.9480800000e-01 -3.9229300000e-01  5.2875300000e-01 -1.7566820000e+00 -1.0283190000e+00  1.8853920000e+00 -1.9287050000e+00 -1.8861050000e+00  2.2737770000e+00 -2.6042050000e+00 -5.8367700000e-01  1.9005790000e+00
-ENERGY -1.526597437259e+02
-FORCES -7.9123000000e-03 -3.2410000000e-03  8.5121000000e-03 -2.7450000000e-04 -2.8725000000e-03  1.2227000000e-03  4.0228000000e-03  5.1113000000e-03 -7.3239000000e-03  2.3340000000e-04 -1.6436000000e-03 -5.2450000000e-04 -7.3540000000e-04  4.8164000000e-03 -1.0667000000e-03  4.6660000000e-03 -2.1706000000e-03 -8.1960000000e-04
-
-JOB 385
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3662700000e-01  6.0942300000e-01 -4.7069000000e-02 -6.8789000000e-02 -2.2207600000e-01  9.2853800000e-01 -1.4943400000e+00  2.5647640000e+00 -1.5083240000e+00 -7.6360600000e-01  2.6618620000e+00 -8.9772500000e-01 -2.2736740000e+00  2.5692350000e+00 -9.5258200000e-01
-ENERGY -1.526524842966e+02
-FORCES  3.3326000000e-03  1.9300000000e-04  2.5605000000e-03 -4.1380000000e-03 -1.0206000000e-03  4.7250000000e-04 -3.2330000000e-04  1.5571000000e-03 -4.2425000000e-03 -2.1420000000e-04 -3.2612000000e-03  6.1837000000e-03 -1.1810000000e-03  1.3805000000e-03 -2.5395000000e-03  2.5239000000e-03  1.1512000000e-03 -2.4347000000e-03
-
-JOB 386
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4277600000e-01 -8.6127900000e-01 -2.3861100000e-01  7.1802500000e-01  1.5123700000e-01 -6.1465400000e-01  5.0466100000e-01  9.0118400000e-01  2.3213760000e+00  3.2453600000e-01  6.0459100000e-01  1.4292890000e+00 -3.3285800000e-01  8.1479100000e-01  2.7767100000e+00
-ENERGY -1.526560333459e+02
-FORCES  4.1055000000e-03  2.7015000000e-03  1.6084100000e-02  2.2712000000e-03  4.7562000000e-03 -6.7370000000e-04 -4.0758000000e-03 -1.8984000000e-03  3.9697000000e-03 -7.2318000000e-03 -9.0285000000e-03 -2.1271500000e-02  3.3944000000e-03  4.4385000000e-03  3.9162000000e-03  1.5365000000e-03 -9.6930000000e-04 -2.0248000000e-03
-
-JOB 387
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3436700000e-01  7.7720300000e-01 -5.0720700000e-01  4.7139200000e-01 -7.1582900000e-01 -4.2615700000e-01  1.1163500000e+00 -2.1846750000e+00 -1.1421170000e+00  1.8756070000e+00 -1.9397130000e+00 -1.6710350000e+00  3.7886600000e-01 -2.1522970000e+00 -1.7514610000e+00
-ENERGY -1.526578238665e+02
-FORCES  8.9526000000e-03 -1.1557000000e-02 -5.5730000000e-03  2.2840000000e-04 -4.0142000000e-03  1.3180000000e-04 -7.3784000000e-03  8.9191000000e-03 -8.5820000000e-04 -1.2095000000e-03  2.0372000000e-03 -2.1305000000e-03 -5.3822000000e-03  6.3320000000e-04  3.0552000000e-03  4.7891000000e-03  3.9817000000e-03  5.3747000000e-03
-
-JOB 388
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6098600000e-01 -6.3321000000e-01  2.7995500000e-01  3.0939400000e-01  8.3789800000e-01  3.4414300000e-01 -5.1624300000e-01  1.2574550000e+00  3.0391500000e+00 -1.4274120000e+00  1.4104440000e+00  3.2893420000e+00 -4.5128200000e-01  1.6004110000e+00  2.1478620000e+00
-ENERGY -1.526522609042e+02
-FORCES  5.0922000000e-03 -1.2053000000e-03  4.1336000000e-03 -2.6436000000e-03  2.5803000000e-03 -2.5018000000e-03 -3.9116000000e-03 -9.4820000000e-04  1.0111000000e-03 -5.6874000000e-03  4.7160000000e-04 -3.4849000000e-03  4.0068000000e-03 -3.6150000000e-04 -4.9390000000e-04  3.1436000000e-03 -5.3670000000e-04  1.3359000000e-03
-
-JOB 389
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2486100000e-01 -4.6601500000e-01 -4.1669900000e-01  2.1429500000e-01  7.0545500000e-01 -6.1044400000e-01 -1.8134420000e+00 -1.5484460000e+00 -5.0652000000e-01 -2.5168560000e+00 -1.6341730000e+00 -1.1500200000e+00 -1.9223370000e+00 -2.3045810000e+00  7.0224000000e-02
-ENERGY -1.526524572632e+02
-FORCES -1.9579100000e-02 -1.7206400000e-02 -4.9790000000e-03  2.5690000000e-03  3.4784000000e-03 -8.9250000000e-04 -4.0863000000e-03 -3.7120000000e-03 -4.8150000000e-04  1.9749600000e-02  1.4728400000e-02  7.4170000000e-03  3.8088000000e-03 -4.4200000000e-05  3.8175000000e-03 -2.4620000000e-03  2.7559000000e-03 -4.8814000000e-03
-
-JOB 390
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6421600000e-01  5.1283900000e-01 -4.6048300000e-01 -3.9603800000e-01 -5.4531700000e-01 -6.7971700000e-01 -1.4219220000e+00 -1.4964470000e+00 -1.8907550000e+00 -2.3472970000e+00 -1.3430140000e+00 -2.0814640000e+00 -1.1831330000e+00 -2.2405250000e+00 -2.4435290000e+00
-ENERGY -1.526614245104e+02
-FORCES -4.2142000000e-03 -4.9880000000e-03 -9.0789000000e-03 -2.0179000000e-03 -1.9548000000e-03  7.4240000000e-04  5.2554000000e-03  5.1338000000e-03  6.2015000000e-03 -1.1997000000e-03  2.4360000000e-04  7.7500000000e-04  4.4198000000e-03 -2.1605000000e-03 -5.0060000000e-04 -2.2433000000e-03  3.7259000000e-03  1.8606000000e-03
-
-JOB 391
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6268400000e-01  6.4485800000e-01 -6.8842100000e-01 -8.8271100000e-01  1.9943100000e-01  3.1189800000e-01  9.5420900000e-01  2.6927190000e+00  2.1757500000e-01  1.6755860000e+00  2.1585830000e+00  5.5006100000e-01  1.3649330000e+00  3.2859930000e+00 -4.1136400000e-01
-ENERGY -1.526572221858e+02
-FORCES -2.5216000000e-03  1.0657200000e-02 -4.7530000000e-04  3.1520000000e-04 -5.9833000000e-03 -2.1960000000e-04  2.5227000000e-03 -2.1160000000e-03 -1.1167000000e-03  4.4788000000e-03 -2.3122000000e-03  3.0449000000e-03 -2.3405000000e-03  4.1763000000e-03 -2.9162000000e-03 -2.4546000000e-03 -4.4220000000e-03  1.6829000000e-03
-
-JOB 392
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6582700000e-01  1.8195800000e-01 -3.6533100000e-01  4.0491000000e-02  3.3974100000e-01  8.9396200000e-01  2.4481440000e+00  9.0559400000e-01 -1.1298480000e+00  3.3391290000e+00  5.7989700000e-01 -1.2575180000e+00  2.4374530000e+00  1.7547640000e+00 -1.5714680000e+00
-ENERGY -1.526616165090e+02
-FORCES  9.8906000000e-03  3.7686000000e-03 -1.6215000000e-03 -8.2120000000e-03 -2.8217000000e-03  3.6555000000e-03 -6.2800000000e-05 -7.7130000000e-04 -2.5963000000e-03  4.0540000000e-04  1.0739000000e-03 -1.5570000000e-03 -3.7329000000e-03  2.8626000000e-03  8.6100000000e-05  1.7117000000e-03 -4.1121000000e-03  2.0332000000e-03
-
-JOB 393
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5033300000e-01  7.0905400000e-01 -4.5899300000e-01  2.2163900000e-01  1.3196100000e-01  9.2178900000e-01 -2.3896780000e+00  1.1438500000e+00 -9.3153300000e-01 -1.5614720000e+00  7.1540900000e-01 -7.1532700000e-01 -2.3475340000e+00  1.2841360000e+00 -1.8774590000e+00
-ENERGY -1.526590707390e+02
-FORCES  9.3960000000e-04  3.3271000000e-03  4.2440000000e-03 -6.6464000000e-03 -3.2412000000e-03  1.1480000000e-03  8.5400000000e-05 -4.4290000000e-04 -5.1042000000e-03  8.4995000000e-03 -6.9352000000e-03  2.6462000000e-03 -4.9003000000e-03  7.9070000000e-03 -6.3988000000e-03  2.0221000000e-03 -6.1480000000e-04  3.4648000000e-03
-
-JOB 394
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4128700000e-01  3.4652000000e-02  9.2564100000e-01 -8.3352200000e-01  5.4235000000e-02 -4.6747400000e-01  2.4710050000e+00 -7.7188400000e-01 -9.0263700000e-01  2.9394860000e+00 -1.3480600000e+00 -2.9866800000e-01  1.5463330000e+00 -9.0951500000e-01 -6.9703900000e-01
-ENERGY -1.526581970006e+02
-FORCES  6.4880000000e-04  1.2833000000e-03  1.5218000000e-03  4.2020000000e-04 -3.9370000000e-04 -4.7202000000e-03  4.3857000000e-03 -5.8460000000e-04  2.6546000000e-03 -1.0146000000e-02  1.8127000000e-03  5.2475000000e-03 -2.4265000000e-03  2.2227000000e-03 -9.7480000000e-04  7.1177000000e-03 -4.3405000000e-03 -3.7289000000e-03
-
-JOB 395
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3446700000e-01  5.1857200000e-01 -3.2844100000e-01 -7.0334400000e-01  1.5365600000e-01 -6.3081600000e-01  2.7255390000e+00 -1.4739140000e+00  1.0104020000e+00  3.6086910000e+00 -1.7685720000e+00  7.8802400000e-01  2.4966030000e+00 -8.5631200000e-01  3.1586100000e-01
-ENERGY -1.526518713084e+02
-FORCES -1.8843000000e-03  3.2617000000e-03 -3.8618000000e-03 -5.7420000000e-04 -4.6858000000e-03  1.6962000000e-03  3.0312000000e-03 -6.6630000000e-04  3.0973000000e-03  9.4200000000e-04  8.3620000000e-04 -3.9381000000e-03 -4.0592000000e-03  1.2058000000e-03  8.9390000000e-04  2.5445000000e-03  4.8300000000e-05  2.1125000000e-03
-
-JOB 396
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2425500000e-01 -5.4134800000e-01  3.1405200000e-01  7.7937100000e-01 -5.3830100000e-01  1.3800200000e-01 -2.6621630000e+00  4.5328300000e-01 -1.8031290000e+00 -3.5948530000e+00  2.4142400000e-01 -1.7652370000e+00 -2.5870750000e+00  1.2892910000e+00 -1.3430370000e+00
-ENERGY -1.526549073491e+02
-FORCES -1.1197000000e-03 -5.1694000000e-03 -2.2800000000e-05  4.0063000000e-03  2.3601000000e-03  1.1281000000e-03 -3.2132000000e-03  1.9906000000e-03 -6.1080000000e-04 -2.1082000000e-03  4.4082000000e-03  1.0355000000e-03  4.3919000000e-03  2.4820000000e-04  4.1320000000e-04 -1.9571000000e-03 -3.8376000000e-03 -1.9431000000e-03
-
-JOB 397
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8859700000e-01  2.5067000000e-01  7.8400800000e-01 -5.7602900000e-01 -6.1377600000e-01 -4.5574400000e-01 -1.8420250000e+00 -1.9394750000e+00 -6.6321900000e-01 -2.1398770000e+00 -2.3588370000e+00  1.4403000000e-01 -2.6363550000e+00 -1.5700350000e+00 -1.0489480000e+00
-ENERGY -1.526591520747e+02
-FORCES -1.1268200000e-02 -1.0315900000e-02 -1.6584000000e-03  1.2102000000e-03 -6.6140000000e-04 -1.5950000000e-03  5.3818000000e-03  7.5861000000e-03  1.8930000000e-04 -3.5640000000e-04  1.3868000000e-03  4.1681000000e-03  2.9640000000e-04  2.9015000000e-03 -4.2219000000e-03  4.7363000000e-03 -8.9690000000e-04  3.1180000000e-03
-
-JOB 398
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6847300000e-01  5.4161800000e-01 -1.7980600000e-01  7.4512700000e-01  5.6993700000e-01 -1.9023600000e-01 -2.2945070000e+00  1.1889080000e+00 -9.9496700000e-01 -2.9862130000e+00  5.7520800000e-01 -1.2422480000e+00 -2.7256940000e+00  1.8147320000e+00 -4.1302700000e-01
-ENERGY -1.526606387963e+02
-FORCES -9.1062000000e-03  6.8982000000e-03 -6.1361000000e-03  8.2955000000e-03 -2.6080000000e-03  6.0599000000e-03 -2.9308000000e-03 -8.8090000000e-04  5.4960000000e-04 -1.9715000000e-03 -3.7507000000e-03  1.6320000000e-04  2.3868000000e-03  4.3636000000e-03  1.6323000000e-03  3.3262000000e-03 -4.0222000000e-03 -2.2689000000e-03
-
-JOB 399
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0523000000e-01 -5.1633900000e-01  3.5085000000e-02  2.7565400000e-01  8.8975400000e-01  2.2042100000e-01 -1.7683050000e+00 -1.7968210000e+00 -1.2231690000e+00 -2.3968800000e+00 -1.6464120000e+00 -5.1712200000e-01 -9.9288000000e-01 -1.2989160000e+00 -9.6425200000e-01
-ENERGY -1.526584988965e+02
-FORCES  2.5720000000e-04  1.9273000000e-03 -8.1260000000e-04 -5.8119000000e-03  1.8509000000e-03 -1.8969000000e-03 -1.6400000000e-05 -4.7280000000e-03  1.4480000000e-04  4.0191000000e-03  9.8843000000e-03  7.4433000000e-03  4.7260000000e-04 -1.4273000000e-03 -2.4199000000e-03  1.0794000000e-03 -7.5072000000e-03 -2.4586000000e-03
-
-JOB 400
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2885400000e-01 -4.7098200000e-01  8.2328900000e-01 -3.7060900000e-01 -5.7747600000e-01 -6.6738500000e-01 -1.3480050000e+00 -1.6961910000e+00 -2.2960610000e+00 -1.2007300000e+00 -2.6352190000e+00 -2.4090510000e+00 -1.6618370000e+00 -1.6090840000e+00 -1.3959760000e+00
-ENERGY -1.526533300816e+02
-FORCES  1.6180000000e-04 -3.9019000000e-03 -2.3541000000e-03 -5.2350000000e-04  1.1645000000e-03 -4.2837000000e-03 -4.4752000000e-03  5.7200000000e-04  7.1405000000e-03 -2.5761000000e-03 -5.7380000000e-03  5.9770000000e-04 -1.1419000000e-03  4.7768000000e-03  7.5190000000e-04  8.5548000000e-03  3.1266000000e-03 -1.8523000000e-03
-
-JOB 401
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7474500000e-01  4.4230300000e-01 -8.0319000000e-01 -5.8753800000e-01 -6.9464000000e-01 -2.9750000000e-01  2.4376900000e+00  1.6625350000e+00 -8.7467500000e-01  3.3041320000e+00  1.9905160000e+00 -1.1153780000e+00  1.8525680000e+00  2.4076630000e+00 -1.0112350000e+00
-ENERGY -1.526547720488e+02
-FORCES  1.9800000000e-03 -7.7110000000e-04 -4.9137000000e-03 -5.3392000000e-03 -3.8040000000e-04  2.9601000000e-03  2.7019000000e-03  2.6916000000e-03  1.1460000000e-03  3.1931000000e-03  4.7720000000e-03  7.4800000000e-05 -3.7930000000e-03 -1.1750000000e-03  1.3566000000e-03  1.2573000000e-03 -5.1372000000e-03 -6.2390000000e-04
-
-JOB 402
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7278700000e-01  3.4191000000e-01 -8.1262500000e-01 -4.9851600000e-01  4.3244800000e-01  6.9332600000e-01  2.5314780000e+00  8.9148200000e-01  1.3014900000e-01  1.5912120000e+00  7.1636300000e-01  9.1883000000e-02  2.7014880000e+00  1.0891700000e+00  1.0511520000e+00
-ENERGY -1.526582403581e+02
-FORCES  1.4302000000e-03  2.4463000000e-03 -6.7100000000e-04  3.3597000000e-03 -7.6080000000e-04  5.4848000000e-03  4.9903000000e-03 -1.1161000000e-03 -3.9100000000e-03 -1.5750000000e-02 -6.9123000000e-03  1.2388000000e-03  8.2391000000e-03  7.0093000000e-03  1.8060000000e-04 -2.2694000000e-03 -6.6640000000e-04 -2.3232000000e-03
-
-JOB 403
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7414300000e-01  3.1969700000e-01  4.6338800000e-01  2.1705200000e-01 -9.0186600000e-01 -2.3613200000e-01 -2.1128550000e+00  1.4706690000e+00  1.2546070000e+00 -2.0555920000e+00  1.1517260000e+00  2.1552890000e+00 -1.7407000000e+00  7.6480200000e-01  7.2594400000e-01
-ENERGY -1.526598595338e+02
-FORCES  4.2176000000e-03  1.0303000000e-03  1.7568000000e-03 -2.9581000000e-03 -3.2129000000e-03 -2.3381000000e-03 -1.0539000000e-03  4.3821000000e-03  1.9287000000e-03  6.6484000000e-03 -7.4027000000e-03 -2.5086000000e-03  3.2260000000e-04  1.2186000000e-03 -2.5950000000e-03 -7.1765000000e-03  3.9846000000e-03  3.7562000000e-03
-
-JOB 404
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4133500000e-01  7.7680900000e-01 -3.4354600000e-01  8.9293400000e-01  2.9241200000e-01  1.8274400000e-01 -3.7296600000e-01 -2.3358980000e+00  1.3511340000e+00 -1.1609100000e+00 -2.8320860000e+00  1.1293840000e+00 -5.0967200000e-01 -1.4770900000e+00  9.5114500000e-01
-ENERGY -1.526605098046e+02
-FORCES  2.2052000000e-03 -1.3254000000e-03  2.1950000000e-03  2.9368000000e-03 -3.4228000000e-03  1.3965000000e-03 -5.0840000000e-03  2.1880000000e-04 -1.5520000000e-03 -6.9010000000e-04  9.6925000000e-03 -7.2368000000e-03  1.8427000000e-03  2.6810000000e-03 -1.5600000000e-05 -1.2106000000e-03 -7.8441000000e-03  5.2130000000e-03
-
-JOB 405
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8001500000e-01 -4.5577100000e-01 -4.9606900000e-01 -2.0552600000e-01  9.2857600000e-01 -1.0833500000e-01 -1.8121710000e+00 -1.1004270000e+00 -1.7730980000e+00 -2.2970230000e+00 -2.7517300000e-01 -1.7834170000e+00 -1.3024530000e+00 -1.0894460000e+00 -2.5832210000e+00
-ENERGY -1.526581792179e+02
-FORCES -1.0053000000e-02 -5.3124000000e-03 -8.7097000000e-03  5.3237000000e-03  7.5771000000e-03  5.6584000000e-03 -7.1760000000e-04 -3.2805000000e-03 -1.0390000000e-03  2.6386000000e-03  3.3427000000e-03 -3.2544000000e-03  5.8554000000e-03 -3.2344000000e-03  2.5266000000e-03 -3.0471000000e-03  9.0750000000e-04  4.8180000000e-03
-
-JOB 406
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5146300000e-01  1.0223000000e-01  2.2324000000e-02 -3.3309900000e-01  8.8524300000e-01 -1.4704600000e-01  7.7587000000e-01  1.1681960000e+00 -2.5029770000e+00  2.1492800000e-01  4.5354100000e-01 -2.8043820000e+00  7.3890400000e-01  1.1158530000e+00 -1.5479240000e+00
-ENERGY -1.526493591154e+02
-FORCES  2.6733000000e-03  3.9300000000e-03 -1.1955000000e-03 -6.0121000000e-03  2.6767000000e-03 -5.0364000000e-03  6.3990000000e-03 -4.2820000000e-03 -5.2609000000e-03 -5.5751000000e-03 -9.6372000000e-03  6.2409000000e-03  2.1544000000e-03  3.7859000000e-03 -1.1386000000e-03  3.6050000000e-04  3.5265000000e-03  6.3905000000e-03
-
-JOB 407
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6282900000e-01  2.3857200000e-01  3.3888200000e-01  9.2575000000e-02  5.3468000000e-02 -9.5121100000e-01 -1.5584650000e+00  1.7588370000e+00  1.3211860000e+00 -1.1053570000e+00  2.0253730000e+00  2.1211130000e+00 -1.0972310000e+00  9.7023800000e-01  1.0355170000e+00
-ENERGY -1.526582297783e+02
-FORCES -1.8387000000e-03  7.7615000000e-03 -1.5502000000e-03 -5.2193000000e-03 -4.5470000000e-04 -7.1930000000e-04  1.5537000000e-03 -9.4570000000e-04  4.5962000000e-03  8.2121000000e-03 -1.0105800000e-02 -6.4123000000e-03  4.9930000000e-04 -1.9084000000e-03 -3.3773000000e-03 -3.2072000000e-03  5.6530000000e-03  7.4629000000e-03
-
-JOB 408
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2288900000e-01 -4.9272300000e-01  5.3428900000e-01  7.6773600000e-01  1.0501600000e-01  5.6194700000e-01 -2.9211520000e+00 -5.1866900000e-01 -1.7723500000e-01 -3.1128080000e+00 -1.8399400000e-01 -1.0533010000e+00 -2.5790720000e+00 -1.4000930000e+00 -3.2658100000e-01
-ENERGY -1.526555620629e+02
-FORCES -3.3719000000e-03 -1.9670000000e-04  4.2949000000e-03  5.9592000000e-03 -2.0360000000e-03 -1.8961000000e-03 -3.9316000000e-03 -4.3940000000e-04 -1.9252000000e-03  1.5930000000e-03  5.0280000000e-04 -7.1882000000e-03 -9.2280000000e-04 -2.2193000000e-03  3.6370000000e-03  6.7420000000e-04  4.3885000000e-03  3.0777000000e-03
-
-JOB 409
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7222400000e-01  1.6704400000e-01  8.6589700000e-01 -7.7613200000e-01  5.5883300000e-01 -3.9463000000e-02  3.1156800000e-01 -1.3522150000e+00 -2.1099660000e+00 -4.5110900000e-01 -1.3547460000e+00 -2.6883690000e+00  7.3840000000e-02 -7.5350600000e-01 -1.4019650000e+00
-ENERGY -1.526533408617e+02
-FORCES  5.0405000000e-03 -9.9916000000e-03 -1.1564800000e-02 -4.2278000000e-03  1.1952000000e-03 -3.5078000000e-03  4.4124000000e-03 -4.2871000000e-03 -1.4692000000e-03 -1.0918000000e-03  9.7955000000e-03  1.7955500000e-02  9.3090000000e-04  2.4322000000e-03  4.2984000000e-03 -5.0642000000e-03  8.5600000000e-04 -5.7120000000e-03
-
-JOB 410
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6943100000e-01 -2.2774100000e-01  8.8981600000e-01  5.4549000000e-01 -5.4853200000e-01 -5.6372400000e-01 -1.6040360000e+00 -1.7540200000e-01 -3.3227300000e+00 -2.0444910000e+00  5.8539400000e-01 -3.7014390000e+00 -2.2381460000e+00 -8.8726000000e-01 -3.4087210000e+00
-ENERGY -1.526540496190e+02
-FORCES  3.2805000000e-03 -3.2651000000e-03 -2.8600000000e-04 -1.4239000000e-03  9.5220000000e-04 -3.6552000000e-03 -1.3448000000e-03  1.9188000000e-03  3.7602000000e-03 -5.0196000000e-03  1.0562000000e-03 -8.6810000000e-04  1.7043000000e-03 -3.2940000000e-03  1.0089000000e-03  2.8035000000e-03  2.6319000000e-03  4.0200000000e-05
-
-JOB 411
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2838900000e-01 -4.7783600000e-01  4.0934000000e-02 -2.6833700000e-01 -6.2980000000e-02 -9.1665700000e-01  7.4243800000e-01  2.6372980000e+00 -2.1645200000e-01  1.2876160000e+00  2.8124470000e+00 -9.8348200000e-01  6.5958500000e-01  1.6839650000e+00 -1.9354500000e-01
-ENERGY -1.526577641593e+02
-FORCES -4.2410000000e-04 -1.3929000000e-03 -2.3803000000e-03 -3.7588000000e-03  5.8531000000e-03 -1.4344000000e-03  4.0173000000e-03  2.7369000000e-03  5.1252000000e-03 -3.0298000000e-03 -1.2926000000e-02  1.4017000000e-03 -2.3250000000e-03 -3.1609000000e-03  2.1489000000e-03  5.5204000000e-03  8.8898000000e-03 -4.8612000000e-03
-
-JOB 412
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9359300000e-01 -6.5947600000e-01 -1.5872000000e-02  2.5964000000e-02  3.4252700000e-01 -8.9343900000e-01  1.7124860000e+00 -1.1197110000e+00  1.6743700000e+00  1.2396630000e+00 -4.2533200000e-01  1.2155580000e+00  2.0847070000e+00 -1.6584130000e+00  9.7617000000e-01
-ENERGY -1.526581464799e+02
-FORCES  3.4926000000e-03 -5.8728000000e-03  4.0845000000e-03  3.2728000000e-03  3.8888000000e-03 -1.8516000000e-03 -4.6310000000e-04 -3.3299000000e-03  3.9444000000e-03 -8.8078000000e-03  6.8153000000e-03 -1.3887000000e-02  3.1983000000e-03 -1.8634000000e-03  5.7400000000e-03 -6.9280000000e-04  3.6200000000e-04  1.9697000000e-03
-
-JOB 413
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2963500000e-01 -7.9652900000e-01 -3.5509000000e-02 -4.5540300000e-01  2.3104000000e-02 -8.4160900000e-01 -1.2138930000e+00 -8.3882000000e-01  2.1757880000e+00 -6.7066200000e-01 -5.3814500000e-01  1.4472780000e+00 -2.0783050000e+00 -9.7820600000e-01  1.7890130000e+00
-ENERGY -1.526556647796e+02
-FORCES -6.9326000000e-03 -4.3369000000e-03  4.2592000000e-03 -6.3703000000e-03  4.2315000000e-03  3.6631000000e-03  2.9665000000e-03 -1.0953000000e-03  4.1281000000e-03  5.2505000000e-03  8.7032000000e-03 -1.8154600000e-02  3.0527000000e-03 -7.5738000000e-03  5.5403000000e-03  2.0331000000e-03  7.1200000000e-05  5.6400000000e-04
-
-JOB 414
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1616200000e-01 -1.5540000000e-02  2.7683400000e-01  3.7912000000e-02  1.2500000000e-01 -9.4824500000e-01 -3.9786000000e-01  2.5858620000e+00 -2.7209300000e-01 -4.3504000000e-02  2.9934490000e+00 -1.0623690000e+00 -1.6561000000e-02  1.7079290000e+00 -2.6323900000e-01
-ENERGY -1.526502314896e+02
-FORCES -8.3000000000e-05  4.4774000000e-03 -2.3009000000e-03 -6.2713000000e-03  4.4819000000e-03 -2.6946000000e-03  8.3120000000e-04  8.4756000000e-03  7.9074000000e-03  2.0445000000e-03 -1.5822900000e-02  3.8939000000e-03 -4.1270000000e-04 -5.6401000000e-03  2.3082000000e-03  3.8914000000e-03  4.0280000000e-03 -9.1140000000e-03
-
-JOB 415
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4992600000e-01 -7.8024700000e-01 -4.3011500000e-01  4.6867300000e-01  4.6593700000e-01 -6.9244500000e-01  2.1976310000e+00 -1.6670850000e+00 -3.0747500000e-01  3.0892710000e+00 -1.4898350000e+00 -7.8230000000e-03  1.6595610000e+00 -1.0148350000e+00  1.4117000000e-01
-ENERGY -1.526597943791e+02
-FORCES -2.7790000000e-04 -3.1888000000e-03 -7.8427000000e-03  3.1574000000e-03  4.0480000000e-03  3.4681000000e-03  3.4800000000e-05 -3.2316000000e-03  5.4678000000e-03 -5.7278000000e-03  6.0494000000e-03  5.1108000000e-03 -4.0867000000e-03  1.3478000000e-03 -6.2980000000e-04  6.9002000000e-03 -5.0249000000e-03 -5.5741000000e-03
-
-JOB 416
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4855000000e-01 -4.1725000000e-02 -9.4468200000e-01 -7.8063300000e-01  4.3190700000e-01  3.4684400000e-01  1.3869990000e+00 -1.9380100000e-01 -2.4290760000e+00  8.4799300000e-01 -1.5975100000e-01 -3.2193570000e+00  1.8522940000e+00 -1.0279540000e+00 -2.4916910000e+00
-ENERGY -1.526560890528e+02
-FORCES  2.2353000000e-03  7.7740000000e-04 -7.2306000000e-03 -6.4863000000e-03  1.8270000000e-04  5.6211000000e-03  3.1277000000e-03 -1.2897000000e-03 -3.1162000000e-03  3.2521000000e-03 -3.7981000000e-03 -7.5740000000e-04  2.3870000000e-04 -3.0200000000e-05  6.2342000000e-03 -2.3675000000e-03  4.1580000000e-03 -7.5100000000e-04
-
-JOB 417
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9713600000e-01 -1.8794400000e-01 -7.9609300000e-01 -9.1171100000e-01 -1.6174300000e-01 -2.4259800000e-01 -2.3346660000e+00 -9.5964300000e-01  6.5531200000e-01 -2.8918730000e+00 -1.7378940000e+00  6.4651900000e-01 -2.5033170000e+00 -5.5332900000e-01  1.5054290000e+00
-ENERGY -1.526569528037e+02
-FORCES -1.1571900000e-02 -6.2154000000e-03  1.4150000000e-03 -3.3561000000e-03 -8.6740000000e-04  2.2741000000e-03  5.7777000000e-03  4.8710000000e-03 -2.3328000000e-03  7.4333000000e-03  1.5295000000e-03  1.7313000000e-03  2.5792000000e-03  3.3296000000e-03  1.1115000000e-03 -8.6220000000e-04 -2.6472000000e-03 -4.1991000000e-03
-
-JOB 418
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6529000000e-01 -3.8010600000e-01 -4.3137300000e-01  7.4766400000e-01 -3.5674700000e-01 -4.7954400000e-01  2.3962510000e+00  1.3397720000e+00  1.1525990000e+00  2.0090850000e+00  1.0172310000e+00  3.3878000000e-01  3.0228330000e+00  2.0069270000e+00  8.7236500000e-01
-ENERGY -1.526520129048e+02
-FORCES -1.7900000000e-03 -4.3447000000e-03 -2.9517000000e-03  3.4145000000e-03  1.5967000000e-03  2.3928000000e-03 -5.4500000000e-04  6.4248000000e-03  3.2359000000e-03 -2.5750000000e-03  1.8588000000e-03 -3.9728000000e-03  4.4494000000e-03 -2.7053000000e-03  2.2940000000e-04 -2.9539000000e-03 -2.8302000000e-03  1.0663000000e-03
-
-JOB 419
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0337100000e-01  9.0597700000e-01 -5.8335000000e-02  8.3834600000e-01  5.6690000000e-02  4.5847000000e-01  1.8421080000e+00 -2.3634980000e+00 -1.7886730000e+00  2.0988760000e+00 -3.1631590000e+00 -2.2478510000e+00  1.1627030000e+00 -2.6459540000e+00 -1.1764160000e+00
-ENERGY -1.526554599314e+02
-FORCES  2.8820000000e-03  4.8291000000e-03  3.7580000000e-04  1.1916000000e-03 -3.4714000000e-03  5.8810000000e-04 -4.1837000000e-03 -4.9890000000e-04 -9.8040000000e-04 -3.2710000000e-03 -3.7681000000e-03  6.3200000000e-04 -1.1337000000e-03  3.3526000000e-03  1.7651000000e-03  4.5147000000e-03 -4.4320000000e-04 -2.3806000000e-03
-
-JOB 420
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6044600000e-01  3.1224200000e-01  8.6654700000e-01  6.2196300000e-01 -6.9958200000e-01 -1.9994800000e-01  1.3485680000e+00  1.8087940000e+00 -1.5288540000e+00  7.5552700000e-01  1.7058430000e+00 -7.8458600000e-01  9.7388200000e-01  1.2537940000e+00 -2.2128250000e+00
-ENERGY -1.526552724092e+02
-FORCES  9.0249000000e-03  3.9040000000e-04 -2.3564000000e-03 -5.7450000000e-04  1.4783000000e-03 -6.1764000000e-03 -3.8124000000e-03  2.5508000000e-03  9.4970000000e-04 -1.1386500000e-02 -1.1653500000e-02  5.6074000000e-03  3.7048000000e-03  5.8454000000e-03  1.9918000000e-03  3.0438000000e-03  1.3886000000e-03 -1.6100000000e-05
-
-JOB 421
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6558500000e-01  5.7454200000e-01 -3.6790000000e-03  1.0726500000e-01 -2.6274600000e-01 -9.1416100000e-01 -3.8891800000e-01 -2.1666580000e+00  1.8088950000e+00 -9.0148400000e-01 -1.4285590000e+00  2.1386190000e+00  1.6069100000e-01 -1.7893660000e+00  1.1220080000e+00
-ENERGY -1.526574416198e+02
-FORCES -4.8024000000e-03 -4.2330000000e-04 -1.3593000000e-03  3.5020000000e-03 -2.5833000000e-03  1.3780000000e-04 -3.6050000000e-04  2.6900000000e-04  5.0770000000e-03  9.8880000000e-04  1.2239100000e-02 -6.5989000000e-03 -5.6400000000e-04 -2.6718000000e-03  1.0915000000e-03  1.2360000000e-03 -6.8295000000e-03  1.6519000000e-03
-
-JOB 422
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6486700000e-01 -4.6331900000e-01  7.5394900000e-01 -2.7294700000e-01  9.0930900000e-01  1.2201800000e-01  1.9460600000e+00  3.6370300000e-01  2.0015320000e+00  1.2076610000e+00 -1.2569900000e-01  2.3641410000e+00  1.7192460000e+00  4.9297000000e-01  1.0806210000e+00
-ENERGY -1.526541014885e+02
-FORCES -2.4465000000e-03  1.1698000000e-03  6.2680000000e-03  4.0302000000e-03  2.6872000000e-03 -1.2377000000e-03  4.1520000000e-03 -4.7460000000e-03  3.5580000000e-04 -8.5871000000e-03 -4.2460000000e-03 -9.8875000000e-03 -2.2200000000e-04  1.0814000000e-03 -5.9070000000e-04  3.0734000000e-03  4.0537000000e-03  5.0921000000e-03
-
-JOB 423
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1092600000e-01 -2.0364800000e-01  6.0773600000e-01 -2.8669400000e-01  7.9673300000e-01 -4.4638000000e-01  4.4584700000e-01 -3.4758020000e+00  5.3712100000e-01  7.8055500000e-01 -4.2116300000e+00  2.4520000000e-02 -3.7482600000e-01 -3.7971010000e+00  9.1061000000e-01
-ENERGY -1.526523534154e+02
-FORCES -4.0426000000e-03  1.1663000000e-03  1.2666000000e-03  2.2444000000e-03  1.6671000000e-03 -2.3443000000e-03  1.4279000000e-03 -3.5478000000e-03  1.6009000000e-03 -1.3395000000e-03 -4.2311000000e-03 -1.5678000000e-03 -1.3878000000e-03  2.8797000000e-03  2.3164000000e-03  3.0976000000e-03  2.0658000000e-03 -1.2718000000e-03
-
-JOB 424
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6319300000e-01  8.6970800000e-01 -3.6497500000e-01  8.4469100000e-01 -4.4661200000e-01 -5.7151000000e-02  1.7147010000e+00 -1.7427140000e+00 -9.8589500000e-01  1.2550710000e+00 -1.5948250000e+00 -1.8123950000e+00  1.5322670000e+00 -2.6572640000e+00 -7.7014600000e-01
-ENERGY -1.526583015085e+02
-FORCES  1.2320700000e-02 -9.1302000000e-03 -3.7902000000e-03  6.6080000000e-04 -4.2331000000e-03 -6.5990000000e-04 -5.9292000000e-03  6.9529000000e-03  1.8796000000e-03 -1.0772400000e-02  2.5576000000e-03  3.9140000000e-04  3.2999000000e-03 -5.3800000000e-04  3.8629000000e-03  4.2020000000e-04  4.3908000000e-03 -1.6839000000e-03
-
-JOB 425
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9600000000e-03  9.5716700000e-01  6.2550000000e-03  6.5252300000e-01 -2.3229700000e-01 -6.6066900000e-01  1.4865970000e+00 -1.9987900000e+00 -1.5250830000e+00  1.9154520000e+00 -2.7368960000e+00 -1.0920540000e+00  6.4664700000e-01 -2.3494120000e+00 -1.8213580000e+00
-ENERGY -1.526604413120e+02
-FORCES  5.4094000000e-03 -1.4859000000e-03 -3.6162000000e-03  9.6360000000e-04 -3.7923000000e-03 -7.7250000000e-04 -6.7384000000e-03  6.3562000000e-03  3.1530000000e-03 -1.9870000000e-03 -5.4472000000e-03  2.9296000000e-03 -2.0349000000e-03  2.2288000000e-03 -2.8390000000e-03  4.3872000000e-03  2.1404000000e-03  1.1450000000e-03
-
-JOB 426
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7899400000e-01  2.7460100000e-01 -4.8373000000e-01  2.6723600000e-01  2.3935000000e-02  9.1882700000e-01  2.3748980000e+00 -8.0556000000e-02 -2.1490770000e+00  2.9530810000e+00  3.5847000000e-01 -2.7729300000e+00  1.4917730000e+00  1.5356500000e-01 -2.4345730000e+00
-ENERGY -1.526569804629e+02
-FORCES  6.8504000000e-03  1.1440000000e-04  2.5236000000e-03 -7.3448000000e-03  8.2700000000e-05 -9.2690000000e-04 -1.5056000000e-03  7.7300000000e-05 -3.0980000000e-03  4.5960000000e-04  1.5911000000e-03 -6.6740000000e-03 -2.7557000000e-03 -2.3951000000e-03  2.4412000000e-03  4.2961000000e-03  5.2960000000e-04  5.7342000000e-03
-
-JOB 427
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4955000000e-02  9.5425900000e-01 -1.6530000000e-03 -7.1000500000e-01 -2.9550900000e-01  5.6991200000e-01 -5.0991200000e-01 -1.8407600000e-01  3.2044000000e+00  2.8698000000e-01  8.1388000000e-02  3.6634460000e+00 -7.5889400000e-01 -1.0120920000e+00  3.6150440000e+00
-ENERGY -1.526570089623e+02
-FORCES -3.5611000000e-03  2.6233000000e-03  6.5648000000e-03  7.8560000000e-04 -3.0661000000e-03 -9.0150000000e-04  1.2848000000e-03 -8.5700000000e-05 -6.1468000000e-03  4.5220000000e-03 -1.8977000000e-03  3.7275000000e-03 -3.8892000000e-03 -1.0176000000e-03 -8.7510000000e-04  8.5800000000e-04  3.4439000000e-03 -2.3689000000e-03
-
-JOB 428
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0140900000e-01 -1.5140000000e-01  8.5567500000e-01  8.7887000000e-01  3.2174000000e-01  2.0075600000e-01  4.0879900000e-01 -1.5068290000e+00  2.7822720000e+00  6.0626100000e-01 -2.0816460000e+00  3.5217490000e+00 -5.4637900000e-01 -1.4451060000e+00  2.7746670000e+00
-ENERGY -1.526546818593e+02
-FORCES  4.8031000000e-03 -1.3152000000e-03  6.8091000000e-03 -2.6314000000e-03  5.8860000000e-04 -2.6138000000e-03 -3.2749000000e-03  1.8840000000e-04 -2.5672000000e-03 -2.4930000000e-03 -4.1404000000e-03  3.7986000000e-03 -9.0440000000e-04  2.4294000000e-03 -3.3435000000e-03  4.5006000000e-03  2.2493000000e-03 -2.0832000000e-03
-
-JOB 429
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4942100000e-01  5.8897300000e-01 -6.0610500000e-01  2.9256300000e-01  5.6728500000e-01  7.1332000000e-01 -2.1045880000e+00  1.8532180000e+00  9.2122600000e-01 -2.4952120000e+00  1.0274130000e+00  6.3541200000e-01 -2.7977500000e+00  2.5018000000e+00  7.9834700000e-01
-ENERGY -1.526581137698e+02
-FORCES -1.7024000000e-03  9.2349000000e-03  2.5036000000e-03  4.4380000000e-04 -4.6683000000e-03  3.0270000000e-04  1.1209000000e-03 -4.0472000000e-03 -2.5453000000e-03 -4.2649000000e-03 -2.5745000000e-03  2.1540000000e-04  1.1937000000e-03  5.4998000000e-03 -2.5360000000e-04  3.2090000000e-03 -3.4447000000e-03 -2.2290000000e-04
-
-JOB 430
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4888800000e-01 -6.4372000000e-01 -6.1654900000e-01  7.7483500000e-01  4.2853300000e-01  3.6362300000e-01 -1.0478260000e+00  8.9995400000e-01  2.7168970000e+00 -2.5771300000e-01  1.2932060000e+00  3.0874460000e+00 -9.2723600000e-01  9.6610300000e-01  1.7696300000e+00
-ENERGY -1.526559149184e+02
-FORCES  4.0589000000e-03 -3.8262000000e-03 -1.5238000000e-03 -4.3430000000e-04  3.0751000000e-03  2.7352000000e-03 -5.3520000000e-03 -2.6630000000e-04 -1.4460000000e-04  2.4169000000e-03 -7.4870000000e-04 -5.2625000000e-03 -2.1253000000e-03 -1.8108000000e-03 -2.3894000000e-03  1.4358000000e-03  3.5769000000e-03  6.5852000000e-03
-
-JOB 431
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4364600000e-01 -4.6305000000e-02 -8.4691600000e-01  3.7850000000e-01  8.7883400000e-01  2.4916000000e-02 -1.1035330000e+00  2.5943550000e+00 -1.0574200000e+00 -1.2003540000e+00  1.9355990000e+00 -1.7450960000e+00 -1.5187960000e+00  2.2022410000e+00 -2.8928200000e-01
-ENERGY -1.526545667077e+02
-FORCES  1.2730000000e-03  6.6019000000e-03 -5.1865000000e-03 -8.4120000000e-04  1.2003000000e-03  2.2692000000e-03 -2.0763000000e-03 -5.0592000000e-03  2.0137000000e-03 -4.0621000000e-03 -5.3696000000e-03  1.0773000000e-03  2.2760000000e-03  4.6090000000e-04  3.6486000000e-03  3.4307000000e-03  2.1657000000e-03 -3.8224000000e-03
-
-JOB 432
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9606500000e-01  5.9095200000e-01  6.4042200000e-01 -3.2186400000e-01  5.7730700000e-01 -6.9235300000e-01 -5.3588900000e-01  8.2403500000e-01 -2.6086670000e+00 -1.5330000000e-03  1.4474290000e+00 -3.1006800000e+00 -9.7282900000e-01  3.0013500000e-01 -3.2801160000e+00
-ENERGY -1.526593468304e+02
-FORCES -1.7428000000e-03  4.2991000000e-03 -8.3147000000e-03 -1.0868000000e-03 -9.5320000000e-04 -3.5467000000e-03  1.6268000000e-03 -7.2480000000e-04  9.3746000000e-03  1.3539000000e-03 -3.2257000000e-03 -1.1306000000e-03 -2.7117000000e-03 -2.8200000000e-03  2.0471000000e-03  2.5606000000e-03  3.4246000000e-03  1.5702000000e-03
-
-JOB 433
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6697900000e-01  8.2709900000e-01  1.1861400000e-01 -9.0980800000e-01  2.5733600000e-01 -1.4919600000e-01 -2.2894430000e+00  1.2932310000e+00  7.4575000000e-02 -3.0077690000e+00  6.6081000000e-01  5.7769000000e-02 -2.7181210000e+00  2.1400840000e+00  1.9829600000e-01
-ENERGY -1.526553187093e+02
-FORCES -1.3109000000e-02  1.3698200000e-02  1.4131000000e-03  7.3910000000e-04 -2.2079000000e-03 -2.2680000000e-04 -1.6450000000e-03 -7.1977000000e-03 -1.2114000000e-03  7.6305000000e-03 -2.3766000000e-03  6.5270000000e-04  5.6609000000e-03  2.8351000000e-03 -5.7700000000e-04  7.2340000000e-04 -4.7512000000e-03 -5.0500000000e-05
-
-JOB 434
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0322800000e-01  1.2476000000e-02  8.1414900000e-01 -9.1221900000e-01  7.3276000000e-02  2.8056800000e-01  1.3614180000e+00 -1.2932400000e-01  2.3390760000e+00  1.4597530000e+00  8.0377200000e-01  2.1496190000e+00  2.1625070000e+00 -3.6491900000e-01  2.8070310000e+00
-ENERGY -1.526559371248e+02
-FORCES  3.7548000000e-03 -4.8465000000e-03  1.1425900000e-02 -1.3130000000e-03  1.0315900000e-02 -2.2766000000e-03  3.2158000000e-03  3.5160000000e-04 -1.8220000000e-04  1.9886000000e-03 -7.6570000000e-04 -3.7803000000e-03 -3.6458000000e-03 -7.9628000000e-03 -3.9306000000e-03 -4.0003000000e-03  2.9075000000e-03 -1.2562000000e-03
-
-JOB 435
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4595200000e-01 -2.4342700000e-01 -5.4820700000e-01  7.6701700000e-01 -1.9097800000e-01 -5.3985600000e-01 -2.7386110000e+00  1.2297000000e-02  1.2988920000e+00 -2.5659750000e+00  9.5107500000e-01  1.3704820000e+00 -2.6449500000e+00 -1.7844900000e-01  3.6557800000e-01
-ENERGY -1.526503491430e+02
-FORCES -9.0000000000e-05 -3.0170000000e-03 -3.5869000000e-03 -3.5530000000e-04  2.1587000000e-03  2.4607000000e-03 -3.7283000000e-03  7.7660000000e-04  3.0227000000e-03  4.8878000000e-03  4.0002000000e-03 -2.6100000000e-03 -2.5593000000e-03 -3.7586000000e-03 -2.4740000000e-04  1.8450000000e-03 -1.5980000000e-04  9.6090000000e-04
-
-JOB 436
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3257100000e-01  7.1396500000e-01 -7.9623000000e-02 -5.3839000000e-02 -3.7221100000e-01 -8.8022300000e-01  4.6812500000e-01 -1.6430450000e+00 -2.3300610000e+00  6.7701100000e-01 -2.5770580000e+00 -2.3152780000e+00  7.3268800000e-01 -1.3517420000e+00 -3.2026320000e+00
-ENERGY -1.526601433310e+02
-FORCES  3.6149000000e-03 -3.8575000000e-03 -8.4342000000e-03 -1.9293000000e-03 -2.0077000000e-03 -9.6300000000e-05 -2.3102000000e-03  6.4174000000e-03  6.2134000000e-03  1.8622000000e-03 -3.3973000000e-03  2.2100000000e-05 -4.4870000000e-04  4.1790000000e-03 -2.0768000000e-03 -7.8890000000e-04 -1.3339000000e-03  4.3717000000e-03
-
-JOB 437
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.9606000000e-02 -6.7089600000e-01 -6.7543300000e-01 -6.0691600000e-01  6.9336200000e-01 -2.5910200000e-01 -7.9895100000e-01  1.4134950000e+00  2.6171630000e+00 -3.3983900000e-01  7.8104000000e-01  2.0644890000e+00 -8.2269700000e-01  2.2155420000e+00  2.0952550000e+00
-ENERGY -1.526583175365e+02
-FORCES -3.0686000000e-03 -1.8996000000e-03 -5.0730000000e-03  5.2800000000e-05  3.6992000000e-03  2.1983000000e-03  3.5052000000e-03 -2.3943000000e-03  2.7837000000e-03  3.8819000000e-03 -1.9730000000e-03 -5.3208000000e-03 -3.5782000000e-03  5.7612000000e-03  4.7151000000e-03 -7.9320000000e-04 -3.1935000000e-03  6.9670000000e-04
-
-JOB 438
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3245200000e-01  4.4687000000e-02 -2.1158700000e-01 -3.7467900000e-01 -5.5622000000e-01 -6.8298400000e-01  7.5005700000e-01  2.5851530000e+00 -1.4451650000e+00  1.1415460000e+00  2.6531010000e+00 -5.7433100000e-01  1.3460140000e+00  2.0163060000e+00 -1.9324840000e+00
-ENERGY -1.526503389206e+02
-FORCES  1.0366000000e-03  1.2860000000e-03 -6.5652000000e-03 -2.1425000000e-03  6.6410000000e-04  1.0637000000e-03  1.9608000000e-03  1.5492000000e-03  2.9917000000e-03  1.1669000000e-03 -4.1941000000e-03  4.1881000000e-03  2.0150000000e-04 -2.6200000000e-04 -4.1843000000e-03 -2.2233000000e-03  9.5680000000e-04  2.5060000000e-03
-
-JOB 439
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1724000000e-02  6.7998000000e-01 -6.7294400000e-01 -7.2513500000e-01  2.5882100000e-01  5.6870300000e-01 -1.8986350000e+00 -1.0222800000e+00  2.3792590000e+00 -1.1790590000e+00 -4.7105000000e-01  2.6868120000e+00 -1.5813560000e+00 -1.9178900000e+00  2.4952240000e+00
-ENERGY -1.526567161499e+02
-FORCES -4.8417000000e-03  2.2076000000e-03 -6.8020000000e-04 -5.5120000000e-04 -2.7235000000e-03  2.9112000000e-03  6.4165000000e-03  1.9469000000e-03 -1.2484000000e-03  4.8728000000e-03 -4.6624000000e-03  2.3901000000e-03 -3.8705000000e-03 -5.7850000000e-04 -4.0660000000e-03 -2.0260000000e-03  3.8099000000e-03  6.9320000000e-04
-
-JOB 440
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5752100000e-01 -5.7355400000e-01 -1.1588500000e-01 -2.0757500000e-01  3.0482800000e-01 -8.8330300000e-01  1.3311640000e+00  2.3289590000e+00  1.2543580000e+00  4.4510900000e-01  2.1073940000e+00  9.6791900000e-01  1.2028410000e+00  2.8924740000e+00  2.0173880000e+00
-ENERGY -1.526574610855e+02
-FORCES  5.9419000000e-03 -2.3697000000e-03 -2.7374000000e-03 -4.3487000000e-03  1.0934000000e-03 -6.9070000000e-04  7.6200000000e-04  2.4610000000e-04  4.7442000000e-03 -5.5744000000e-03 -3.0178000000e-03  1.1290000000e-04  3.3689000000e-03  6.8898000000e-03  1.4854000000e-03 -1.4960000000e-04 -2.8417000000e-03 -2.9145000000e-03
-
-JOB 441
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3656100000e-01 -2.0484700000e-01 -5.7597600000e-01  5.9395900000e-01 -7.4447100000e-01 -9.5956000000e-02 -1.4644310000e+00 -1.0591890000e+00 -2.0646210000e+00 -1.0154660000e+00 -1.8442830000e+00 -1.7511110000e+00 -9.3938000000e-01 -7.6329100000e-01 -2.8082590000e+00
-ENERGY -1.526562587767e+02
-FORCES -7.9804000000e-03 -6.1979000000e-03 -1.1459700000e-02  5.9821000000e-03  4.7520000000e-04  6.8478000000e-03 -2.3893000000e-03  1.0771000000e-03 -9.2260000000e-04  6.8414000000e-03  1.3200000000e-05 -4.2000000000e-04 -2.0760000000e-04  6.7719000000e-03  1.3323000000e-03 -2.2462000000e-03 -2.1396000000e-03  4.6222000000e-03
-
-JOB 442
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0459300000e-01 -1.2131200000e-01  2.8848900000e-01 -5.1123000000e-02 -4.6867100000e-01 -8.3304600000e-01  2.9494850000e+00 -2.8218000000e-02 -9.4373000000e-02  3.8920230000e+00  9.9898000000e-02  1.2590000000e-02  2.8253260000e+00 -9.7401400000e-01 -1.5096000000e-02
-ENERGY -1.526561542562e+02
-FORCES  7.8441000000e-03  1.3797000000e-03 -3.1317000000e-03 -5.3865000000e-03 -5.4976000000e-03  1.0840000000e-04  5.5000000000e-05  5.8270000000e-04  3.2956000000e-03  4.9293000000e-03 -1.1131000000e-03  5.4780000000e-04 -4.1777000000e-03 -1.4989000000e-03 -1.2158000000e-03 -3.2643000000e-03  6.1472000000e-03  3.9580000000e-04
-
-JOB 443
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1862400000e-01 -5.5015000000e-02 -8.0264200000e-01  9.0873800000e-01 -4.3560000000e-03 -3.0068000000e-01  2.2953990000e+00  3.9299700000e-01 -1.3768220000e+00  2.5179690000e+00 -5.1721200000e-01 -1.1813400000e+00  1.9938640000e+00  3.7656500000e-01 -2.2851390000e+00
-ENERGY -1.526539779574e+02
-FORCES  1.2839000000e-02  5.4034000000e-03 -1.1301000000e-02  1.5382000000e-03 -2.5620000000e-04  1.6878000000e-03 -2.2468000000e-03 -8.6221000000e-03  4.3738000000e-03 -5.5286000000e-03 -1.8922000000e-03 -2.2852000000e-03 -7.3597000000e-03  6.0801000000e-03  2.2110000000e-03  7.5780000000e-04 -7.1310000000e-04  5.3135000000e-03
-
-JOB 444
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6751800000e-01  6.1111000000e-02 -3.9988700000e-01  1.2540100000e-01 -9.3545900000e-01  1.5944700000e-01  3.2282370000e+00 -9.3391000000e-02  4.9135300000e-01  2.6787930000e+00 -8.5576200000e-01  3.0932600000e-01  2.8070640000e+00  6.2438200000e-01  1.8441000000e-02
-ENERGY -1.526554877395e+02
-FORCES -5.0339000000e-03 -3.4961000000e-03 -2.2500000000e-04  3.9375000000e-03 -3.1630000000e-04  1.9340000000e-03  1.4901000000e-03  3.9885000000e-03 -1.4590000000e-03 -6.8363000000e-03  1.5262000000e-03 -3.1415000000e-03  1.7981000000e-03  6.0090000000e-04  1.3010000000e-03  4.6444000000e-03 -2.3032000000e-03  1.5904000000e-03
-
-JOB 445
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7021700000e-01  2.6820200000e-01  2.9499500000e-01  5.9106900000e-01  3.0338600000e-01  6.8907600000e-01  7.7886500000e-01 -2.3754570000e+00  2.0519580000e+00  1.2457960000e+00 -2.1061120000e+00  1.2609710000e+00  1.2335460000e+00 -1.9254760000e+00  2.7640060000e+00
-ENERGY -1.526543311957e+02
-FORCES -3.6079000000e-03  1.0753000000e-03  5.9445000000e-03  3.6589000000e-03  1.7060000000e-04 -1.8538000000e-03 -5.9800000000e-04 -2.0421000000e-03 -3.1066000000e-03  2.6897000000e-03  2.4474000000e-03 -2.9393000000e-03  1.9900000000e-04 -1.1366000000e-03  5.3750000000e-03 -2.3418000000e-03 -5.1470000000e-04 -3.4198000000e-03
-
-JOB 446
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3839500000e-01  1.6941900000e-01 -8.3334000000e-02 -3.3146500000e-01  3.8761000000e-02 -8.9714000000e-01  1.8507840000e+00  1.6534420000e+00  1.9945260000e+00  2.0347190000e+00  7.2051400000e-01  1.8847740000e+00  9.7843100000e-01  1.7718870000e+00  1.6187570000e+00
-ENERGY -1.526564168647e+02
-FORCES  1.8648000000e-03 -2.8350000000e-04 -5.9665000000e-03 -4.3195000000e-03 -5.6080000000e-04  3.2161000000e-03  1.7207000000e-03 -1.6300000000e-05  4.0363000000e-03 -5.7673000000e-03 -3.8245000000e-03  1.5590000000e-04  2.9540000000e-04  3.8089000000e-03 -2.5006000000e-03  6.2059000000e-03  8.7610000000e-04  1.0588000000e-03
-
-JOB 447
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8863800000e-01 -2.9948800000e-01  6.9285200000e-01 -4.5393000000e-02 -6.8557000000e-01 -6.6645700000e-01  1.7937000000e+00 -1.8492340000e+00 -1.0520700000e-01  1.8921010000e+00 -1.6553250000e+00 -1.0373810000e+00  1.0241480000e+00 -1.3478420000e+00  1.6428800000e-01
-ENERGY -1.526424600829e+02
-FORCES  5.9075000000e-03 -9.9660000000e-03 -1.5188000000e-03  7.7626000000e-03 -1.2154000000e-03 -3.6988000000e-03  1.2629800000e-02 -3.5961000000e-03  9.8456000000e-03 -1.0943200000e-02  2.0350700000e-02  9.6000000000e-04 -3.8305000000e-03 -6.2200000000e-04  2.8359000000e-03 -1.1526200000e-02 -4.9511000000e-03 -8.4239000000e-03
-
-JOB 448
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0989700000e-01 -4.2448600000e-01 -6.8996300000e-01  8.3850300000e-01 -4.6166800000e-01 -2.6990000000e-03 -7.3547700000e-01 -8.5310800000e-01  2.2931450000e+00 -7.5962100000e-01 -3.9066600000e-01  1.4554130000e+00 -1.5101270000e+00 -5.4193000000e-01  2.7614580000e+00
-ENERGY -1.526577013806e+02
-FORCES  8.2410000000e-04 -8.1926000000e-03  1.0459400000e-02  1.7075000000e-03  1.5328000000e-03  5.5860000000e-03 -4.9177000000e-03  2.4067000000e-03 -1.8368000000e-03  5.7683000000e-03  7.9606000000e-03 -1.7242600000e-02 -5.3029000000e-03 -4.4287000000e-03  7.9098000000e-03  1.9207000000e-03  7.2120000000e-04 -4.8757000000e-03
-
-JOB 449
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7969100000e-01  1.9600200000e-01  8.9419700000e-01 -4.2429900000e-01 -8.5567800000e-01  6.3376000000e-02  9.2566700000e-01 -2.1078640000e+00  1.4057790000e+00  8.1366900000e-01 -3.0584830000e+00  1.4093190000e+00  1.7951140000e+00 -1.9672540000e+00  1.7806410000e+00
-ENERGY -1.526540169912e+02
-FORCES  4.5375000000e-03 -1.2867800000e-02  9.7977000000e-03  3.0430000000e-04  3.2528000000e-03 -1.9673000000e-03 -3.2911000000e-03  2.4027000000e-03 -3.3537000000e-03  3.1281000000e-03  2.5976000000e-03 -2.3687000000e-03 -1.6260000000e-04  5.0109000000e-03 -1.3217000000e-03 -4.5162000000e-03 -3.9620000000e-04 -7.8640000000e-04
-
-JOB 450
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1246400000e-01 -7.9895900000e-01 -5.1502300000e-01 -8.0918300000e-01  3.8816800000e-01 -3.3283700000e-01 -2.6388130000e+00 -2.2372900000e-01  1.3516760000e+00 -3.1646000000e+00 -7.9446400000e-01  1.9120700000e+00 -1.8986870000e+00 -7.6764300000e-01  1.0822280000e+00
-ENERGY -1.526573702845e+02
-FORCES -1.6981000000e-03  2.7077000000e-03 -4.9382000000e-03 -2.2622000000e-03  2.6899000000e-03  4.2533000000e-03  4.2849000000e-03 -4.8324000000e-03  2.3456000000e-03  3.9278000000e-03 -3.2552000000e-03  2.1098000000e-03  3.1304000000e-03  1.5195000000e-03 -2.2670000000e-03 -7.3828000000e-03  1.1705000000e-03 -1.5036000000e-03
-
-JOB 451
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8190800000e-01  6.3186700000e-01  2.2798500000e-01 -6.3786100000e-01  5.0631400000e-01 -5.0300200000e-01 -1.7337600000e-01 -1.5271460000e+00 -2.9685110000e+00  1.6019900000e-01 -1.6908590000e+00 -2.0863790000e+00 -2.3693900000e-01 -2.3955650000e+00 -3.3660520000e+00
-ENERGY -1.526589070156e+02
-FORCES -5.0810000000e-04  6.4055000000e-03 -6.8630000000e-04 -2.9427000000e-03 -2.5718000000e-03 -8.5630000000e-04  3.1628000000e-03 -2.0819000000e-03  3.2142000000e-03  1.5662000000e-03 -3.6157000000e-03  3.4275000000e-03 -1.6950000000e-03 -1.3642000000e-03 -6.9430000000e-03  4.1680000000e-04  3.2282000000e-03  1.8439000000e-03
-
-JOB 452
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2581700000e-01 -8.5456200000e-01  6.8087000000e-02  1.5621200000e-01  1.1630300000e-01 -9.3717800000e-01  2.5737500000e-01  9.2999300000e-01 -2.3519570000e+00  6.2052200000e-01  1.7991400000e+00 -2.5220750000e+00  4.4913700000e-01  4.3025000000e-01 -3.1455030000e+00
-ENERGY -1.526560565507e+02
-FORCES  1.4227000000e-03  7.8206000000e-03 -1.8739600000e-02  1.5750000000e-03  2.5036000000e-03 -3.4631000000e-03 -8.6890000000e-04 -5.8755000000e-03  5.2069000000e-03  5.2940000000e-04 -1.7507000000e-03  1.3815100000e-02 -1.7590000000e-03 -5.0164000000e-03 -1.9220000000e-03 -8.9920000000e-04  2.3185000000e-03  5.1027000000e-03
-
-JOB 453
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3027600000e-01 -5.5617800000e-01  5.7070600000e-01  8.4537600000e-01  6.3137000000e-02  4.4450600000e-01  2.0860210000e+00 -3.3403000000e-02 -2.2979610000e+00  2.0830280000e+00 -1.0529300000e-01 -1.3434690000e+00  2.6742470000e+00 -7.3008700000e-01 -2.5892570000e+00
-ENERGY -1.526510042568e+02
-FORCES -5.1030000000e-04 -2.0382000000e-03  4.4596000000e-03  2.2763000000e-03  2.6691000000e-03 -2.8045000000e-03 -1.1251000000e-03 -1.2086000000e-03 -5.6496000000e-03 -7.7110000000e-04 -3.6214000000e-03  3.5301000000e-03  2.8785000000e-03  1.4314000000e-03 -8.4600000000e-04 -2.7483000000e-03  2.7678000000e-03  1.3104000000e-03
-
-JOB 454
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0391400000e-01  8.0450900000e-01  3.2534600000e-01  3.5409500000e-01 -4.2390500000e-01  7.8176300000e-01  1.4212770000e+00  4.2732000000e-02 -2.8687950000e+00  1.2357260000e+00  3.6516300000e-01 -1.9868420000e+00  1.6213380000e+00 -8.8547800000e-01 -2.7478250000e+00
-ENERGY -1.526590930665e+02
-FORCES -2.2605000000e-03  8.1080000000e-04  6.0105000000e-03  2.5742000000e-03 -3.6887000000e-03 -1.5265000000e-03 -1.5996000000e-03  1.9871000000e-03 -3.7564000000e-03 -2.7992000000e-03 -3.1804000000e-03  7.5204000000e-03  3.7985000000e-03  1.3251000000e-03 -6.9486000000e-03  2.8660000000e-04  2.7461000000e-03 -1.2993000000e-03
-
-JOB 455
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2778500000e-01  1.2664400000e-01 -9.4014000000e-01  8.4427600000e-01  2.2709500000e-01  3.8968900000e-01 -3.0460430000e+00  8.5540400000e-01  7.0673800000e-01 -2.3547420000e+00  7.6285700000e-01  1.3623060000e+00 -2.6179170000e+00  6.4936500000e-01 -1.2421800000e-01
-ENERGY -1.526574783627e+02
-FORCES  5.4501000000e-03  1.1315000000e-03 -2.2856000000e-03 -1.5601000000e-03 -3.0710000000e-04  4.2645000000e-03 -3.8105000000e-03 -1.0265000000e-03 -1.7013000000e-03  8.6819000000e-03 -2.7728000000e-03 -9.7950000000e-04 -4.6343000000e-03  1.5061000000e-03  2.3660000000e-04 -4.1270000000e-03  1.4689000000e-03  4.6520000000e-04
-
-JOB 456
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1391600000e-01  5.5134100000e-01 -7.7413100000e-01 -2.3586000000e-01 -8.7954300000e-01 -2.9496800000e-01 -9.8241200000e-01 -6.6346000000e-01  2.7305860000e+00 -6.5840200000e-01 -1.0214650000e+00  1.9040990000e+00 -1.1270450000e+00 -1.4308010000e+00  3.2842120000e+00
-ENERGY -1.526536648844e+02
-FORCES -2.0932000000e-03  1.8230000000e-03 -5.1336000000e-03  9.9470000000e-04 -2.7824000000e-03  2.8783000000e-03  5.0700000000e-04  3.1543000000e-03  5.5692000000e-03  2.3343000000e-03 -1.2758000000e-03 -3.4999000000e-03 -2.5052000000e-03 -3.9290000000e-03  3.4159000000e-03  7.6240000000e-04  3.0099000000e-03 -3.2300000000e-03
-
-JOB 457
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1891200000e-01  5.8791700000e-01 -2.3184400000e-01 -3.3689900000e-01  3.4698100000e-01  8.2603600000e-01  2.0644750000e+00  1.7671870000e+00  1.6452180000e+00  1.6255670000e+00  1.3051420000e+00  2.3594350000e+00  2.5913800000e+00  2.4371610000e+00  2.0808060000e+00
-ENERGY -1.526572436453e+02
-FORCES  3.7793000000e-03  6.2391000000e-03  2.4751000000e-03 -4.5661000000e-03 -4.1509000000e-03 -1.4459000000e-03  7.8430000000e-04 -2.4574000000e-03 -1.3775000000e-03  1.9784000000e-03  1.0004000000e-03  5.5422000000e-03  4.6460000000e-04  2.6204000000e-03 -3.6988000000e-03 -2.4405000000e-03 -3.2516000000e-03 -1.4953000000e-03
-
-JOB 458
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7256300000e-01 -2.6946100000e-01  2.8680400000e-01 -4.6118500000e-01 -8.2144200000e-01 -1.6962600000e-01 -2.9699090000e+00  1.0371070000e+00 -6.5061800000e-01 -3.8259600000e+00  1.3870580000e+00 -4.0375000000e-01 -2.5030390000e+00  1.7852780000e+00 -1.0227790000e+00
-ENERGY -1.526552664354e+02
-FORCES -4.1800000000e-04 -5.1268000000e-03  4.9900000000e-04 -3.7963000000e-03  1.3572000000e-03 -1.0436000000e-03  4.0926000000e-03  2.4268000000e-03  7.5670000000e-04  3.3680000000e-04  5.2955000000e-03 -3.5700000000e-05  3.5556000000e-03 -1.4964000000e-03 -8.5520000000e-04 -3.7707000000e-03 -2.4562000000e-03  6.7880000000e-04
-
-JOB 459
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7422400000e-01  8.7167500000e-01  3.5505000000e-01 -9.5029400000e-01 -2.8290000000e-02 -1.1123100000e-01 -5.0415700000e-01 -7.5582000000e-01  2.6331340000e+00 -6.9815500000e-01  9.3976000000e-02  3.0286650000e+00 -3.6241700000e-01 -5.6246100000e-01  1.7064450000e+00
-ENERGY -1.526561506488e+02
-FORCES -2.1825000000e-03  3.8860000000e-03  3.1830000000e-04 -2.4348000000e-03 -6.6657000000e-03  1.4892000000e-03  6.2526000000e-03 -9.3750000000e-04  5.4275000000e-03  4.0194000000e-03  4.0455000000e-03 -1.2116600000e-02  9.1430000000e-04 -1.8936000000e-03 -3.3980000000e-03 -6.5690000000e-03  1.5653000000e-03  8.2797000000e-03
-
-JOB 460
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3906200000e-01  2.4260500000e-01  7.5285200000e-01 -1.1624900000e-01  8.1691900000e-01 -4.8514000000e-01  2.2660550000e+00 -1.5873670000e+00 -7.7932900000e-01  2.6041920000e+00 -1.4785290000e+00  1.0951800000e-01  1.7550930000e+00 -7.9416600000e-01 -9.4051700000e-01
-ENERGY -1.526542409167e+02
-FORCES -1.1240000000e-04  2.0959000000e-03  3.5416000000e-03 -3.0370000000e-04 -1.9833000000e-03 -5.2475000000e-03  2.9675000000e-03 -5.4273000000e-03  1.2859000000e-03 -8.8241000000e-03  5.9378000000e-03  4.6648000000e-03 -1.1340000000e-03  2.6640000000e-04 -2.3852000000e-03  7.4067000000e-03 -8.8960000000e-04 -1.8595000000e-03
-
-JOB 461
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9290000000e-01  7.5077900000e-01 -3.2134000000e-02 -4.0824000000e-01 -6.0171900000e-01  6.2250000000e-01  1.0390650000e+00 -2.4457110000e+00 -1.1601030000e+00  1.3935250000e+00 -1.8721690000e+00 -1.8395430000e+00  4.5248000000e-01 -1.8838220000e+00 -6.5371200000e-01
-ENERGY -1.526557882744e+02
-FORCES -3.5897000000e-03  1.3905000000e-03  1.9158000000e-03  3.1776000000e-03 -3.4448000000e-03  7.2340000000e-04  3.4362000000e-03 -4.4430000000e-04 -7.1950000000e-03 -1.4621000000e-03  1.1878300000e-02 -5.0360000000e-04 -9.0000000000e-06 -3.7053000000e-03  5.2200000000e-04 -1.5530000000e-03 -5.6743000000e-03  4.5373000000e-03
-
-JOB 462
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4897800000e-01  1.2601800000e-01  8.8236400000e-01  8.4061500000e-01  4.5777000000e-01  6.7470000000e-03  3.0104800000e+00 -4.7745800000e-01  3.2174900000e-01  3.6801550000e+00 -1.1401530000e+00  1.5262400000e-01  3.4197450000e+00  1.2399600000e-01  9.4383200000e-01
-ENERGY -1.526558117857e+02
-FORCES  6.5792000000e-03 -8.3000000000e-05  3.3722000000e-03  1.2024000000e-03 -1.9060000000e-04 -3.0123000000e-03 -6.5005000000e-03  2.3391000000e-03  4.3650000000e-04  4.4984000000e-03 -3.3290000000e-03  6.9720000000e-04 -2.2582000000e-03  3.2119000000e-03  1.4840000000e-03 -3.5214000000e-03 -1.9484000000e-03 -2.9775000000e-03
-
-JOB 463
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0840100000e-01  7.6360100000e-01 -4.8788800000e-01  6.6565800000e-01  3.4734600000e-01  5.9370200000e-01  1.2487200000e-01 -2.4673600000e+00  8.5197800000e-01  4.9253000000e-02 -1.6865560000e+00  3.0347300000e-01  2.8288500000e-01 -3.1806860000e+00  2.3356900000e-01
-ENERGY -1.526592081540e+02
-FORCES  1.6640000000e-04 -6.4749000000e-03  3.1692000000e-03  2.8046000000e-03 -2.1381000000e-03  3.4686000000e-03 -3.8157000000e-03 -9.6250000000e-04 -4.3064000000e-03 -2.0872000000e-03  1.2179400000e-02 -6.9829000000e-03  3.7518000000e-03 -6.1759000000e-03  4.1628000000e-03 -8.1980000000e-04  3.5719000000e-03  4.8880000000e-04
-
-JOB 464
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2997700000e-01  6.3911700000e-01 -3.3300200000e-01 -3.6345900000e-01 -2.7997400000e-01  8.4008500000e-01 -5.2481000000e-02 -1.1555800000e-01  2.7886540000e+00 -3.1131200000e-01 -9.6132700000e-01  3.1545950000e+00 -4.5669900000e-01  5.3039600000e-01  3.3679490000e+00
-ENERGY -1.526573462535e+02
-FORCES -2.1209000000e-03  1.7911000000e-03  1.1225600000e-02  1.9294000000e-03 -1.7214000000e-03  1.8366000000e-03 -1.7318000000e-03 -3.0326000000e-03 -8.6567000000e-03 -1.2730000000e-04  2.0264000000e-03  2.4329000000e-03  3.3280000000e-04  4.6216000000e-03 -4.1274000000e-03  1.7179000000e-03 -3.6851000000e-03 -2.7110000000e-03
-
-JOB 465
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8872100000e-01 -3.5435500000e-01  2.8978000000e-02  2.2033100000e-01  1.7056400000e-01  9.1574800000e-01  1.4316740000e+00  5.0433000000e-01  2.2380820000e+00  1.2151650000e+00  7.8656700000e-01  3.1267310000e+00  2.2359440000e+00 -5.1110000000e-03  2.3373320000e+00
-ENERGY -1.526599682709e+02
-FORCES  5.1064000000e-03  1.9681000000e-03  1.0613200000e-02  3.1307000000e-03  1.4398000000e-03  1.9691000000e-03 -6.8105000000e-03 -1.8688000000e-03 -7.1684000000e-03  1.2827000000e-03 -2.6127000000e-03 -2.6669000000e-03  9.9480000000e-04 -2.1636000000e-03 -4.3772000000e-03 -3.7041000000e-03  3.2371000000e-03  1.6303000000e-03
-
-JOB 466
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6357700000e-01  9.3777400000e-01  1.0027400000e-01 -8.6046400000e-01 -4.0618600000e-01  1.0414700000e-01  7.2923800000e-01  2.5500710000e+00  3.0251000000e-01  1.4945810000e+00  2.4760800000e+00 -2.6758400000e-01  1.0705500000e+00  2.3967890000e+00  1.1835560000e+00
-ENERGY -1.526601252509e+02
-FORCES  1.4514000000e-03  1.2825400000e-02  3.7070000000e-04 -2.9145000000e-03 -1.0519500000e-02  7.1280000000e-04  2.4818000000e-03  4.1319000000e-03  4.5180000000e-04  5.1648000000e-03 -7.6678000000e-03 -3.5350000000e-04 -3.5948000000e-03  1.0252000000e-03  3.4319000000e-03 -2.5887000000e-03  2.0480000000e-04 -4.6137000000e-03
-
-JOB 467
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6811300000e-01 -2.7308000000e-01  8.7736800000e-01 -7.6788300000e-01 -1.6386400000e-01 -5.4748200000e-01  8.2438200000e-01  2.4827040000e+00  5.9920400000e-01  2.4332000000e-01  3.2010390000e+00  3.4901900000e-01  5.1005200000e-01  1.7327690000e+00  9.4202000000e-02
-ENERGY -1.526593973215e+02
-FORCES -1.0905000000e-03  3.1121000000e-03  5.8334000000e-03  1.3290000000e-04  3.5240000000e-04 -5.5746000000e-03  3.5795000000e-03  2.6183000000e-03  3.3262000000e-03 -5.0083000000e-03 -1.2476500000e-02 -5.0303000000e-03  5.7080000000e-04 -3.9239000000e-03  8.0000000000e-06  1.8157000000e-03  1.0317500000e-02  1.4372000000e-03
-
-JOB 468
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6923800000e-01 -8.0953600000e-01 -3.5291100000e-01  2.4084100000e-01  6.7173000000e-01 -6.3797000000e-01  1.3257370000e+00  1.9329880000e+00  1.7238560000e+00  1.6489850000e+00  2.2616960000e+00  8.8499100000e-01  6.2265100000e-01  1.3272360000e+00  1.4894070000e+00
-ENERGY -1.526569805589e+02
-FORCES  4.2081000000e-03 -1.8493000000e-03 -3.1013000000e-03 -1.8757000000e-03  4.2046000000e-03  4.1590000000e-04  1.6610000000e-04 -1.5838000000e-03  5.1798000000e-03 -3.7598000000e-03 -7.1105000000e-03 -6.5410000000e-03 -1.4078000000e-03 -9.4680000000e-04  1.5138000000e-03  2.6691000000e-03  7.2858000000e-03  2.5329000000e-03
-
-JOB 469
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9655300000e-01 -2.5858700000e-01 -8.7259400000e-01  8.0396300000e-01  2.1591700000e-01  4.7249900000e-01  1.6003480000e+00  2.7070720000e+00 -1.2950190000e+00  1.5307790000e+00  1.7760310000e+00 -1.5060970000e+00  2.5215440000e+00  2.9191050000e+00 -1.4455930000e+00
-ENERGY -1.526524841760e+02
-FORCES  3.5030000000e-03  7.7100000000e-05  1.3590000000e-04  8.7500000000e-05  3.1261000000e-03  3.1327000000e-03 -3.1748000000e-03 -1.8877000000e-03 -3.1847000000e-03  2.2379000000e-03 -2.2832000000e-03 -2.0487000000e-03  1.5381000000e-03  2.3714000000e-03  7.8280000000e-04 -4.1916000000e-03 -1.4037000000e-03  1.1820000000e-03
-
-JOB 470
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5487300000e-01  6.6302000000e-02  7.2720000000e-03  2.5454000000e-01  1.0056200000e-01  9.1724000000e-01  1.3267850000e+00  2.4065680000e+00 -1.6450500000e-01  2.2148590000e+00  2.4342750000e+00  1.9157100000e-01  9.1440300000e-01  1.6639040000e+00  2.7665600000e-01
-ENERGY -1.526511997425e+02
-FORCES -2.7924000000e-03  2.2447000000e-03  6.0090000000e-04  5.4228000000e-03 -2.7480000000e-04  2.9030000000e-04  2.3284000000e-03  7.6411000000e-03 -7.5243000000e-03 -3.5743000000e-03 -1.0305300000e-02 -1.1268000000e-03 -4.0868000000e-03 -2.0210000000e-03 -5.2320000000e-04  2.7023000000e-03  2.7153000000e-03  8.2832000000e-03
-
-JOB 471
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0065300000e-01 -6.4094000000e-01 -1.2047200000e-01 -7.9876200000e-01 -5.2477000000e-01  5.3177000000e-02 -2.9976580000e+00  1.3058090000e+00 -8.5818400000e-01 -3.6236770000e+00  2.0097870000e+00 -1.0277320000e+00 -2.7833090000e+00  1.3937880000e+00  7.0550000000e-02
-ENERGY -1.526547522088e+02
-FORCES -7.8390000000e-04 -4.9969000000e-03 -2.0992000000e-03 -2.7742000000e-03  2.6136000000e-03  3.8440000000e-04  3.7019000000e-03  2.4056000000e-03  2.0207000000e-03 -7.0620000000e-04  4.7655000000e-03  2.7733000000e-03  2.5727000000e-03 -2.7759000000e-03  6.6700000000e-04 -2.0103000000e-03 -2.0118000000e-03 -3.7462000000e-03
-
-JOB 472
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3539000000e-02 -8.2683400000e-01  4.7497200000e-01 -9.0213800000e-01  2.7939300000e-01 -1.5594200000e-01 -4.0300400000e-01 -1.3107800000e-01 -2.6872900000e+00 -6.2979100000e-01 -8.2682600000e-01 -2.0702540000e+00  1.7933200000e-01  4.4670800000e-01 -2.1940560000e+00
-ENERGY -1.526544959670e+02
-FORCES -4.0103000000e-03 -1.0731000000e-03 -3.6950000000e-03 -8.5190000000e-04  3.1401000000e-03 -4.4674000000e-03  5.1226000000e-03 -2.8630000000e-03 -1.0931000000e-03  6.7388000000e-03 -1.1423000000e-03  1.4683200000e-02 -4.0937000000e-03 -2.6100000000e-04 -1.3223000000e-03 -2.9055000000e-03  2.1994000000e-03 -4.1053000000e-03
-
-JOB 473
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1812700000e-01  2.1716000000e-02  2.6982000000e-01 -1.2503800000e-01 -8.8007100000e-01 -3.5506600000e-01  5.4073000000e-02 -2.3666030000e+00 -1.6772660000e+00 -9.3851000000e-02 -3.3097480000e+00 -1.6077930000e+00  2.5574700000e-01 -2.2227760000e+00 -2.6018600000e+00
-ENERGY -1.526611707718e+02
-FORCES  2.7958000000e-03 -8.5642000000e-03 -4.3405000000e-03 -2.6019000000e-03  3.1340000000e-04 -7.5350000000e-04 -6.4920000000e-04  6.9992000000e-03  5.7944000000e-03  1.1870000000e-04 -6.0340000000e-04 -3.6529000000e-03  1.0669000000e-03  4.3703000000e-03 -1.0687000000e-03 -7.3030000000e-04 -2.5154000000e-03  4.0212000000e-03
-
-JOB 474
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0092800000e-01 -6.0480500000e-01  2.4319500000e-01 -9.6340000000e-02  5.7379500000e-01  7.6007200000e-01 -6.6355600000e-01  1.6142740000e+00 -2.1699350000e+00 -9.5289800000e-01  1.3328210000e+00 -3.0378620000e+00 -4.5392500000e-01  8.0067100000e-01 -1.7113110000e+00
-ENERGY -1.526609092898e+02
-FORCES  1.2888000000e-03  3.8123000000e-03  2.2076000000e-03 -3.1929000000e-03  2.9741000000e-03 -5.5230000000e-04  1.4197000000e-03 -4.2146000000e-03 -2.3442000000e-03  1.8239000000e-03 -6.9733000000e-03  5.5852000000e-03  1.5347000000e-03 -6.2930000000e-04  3.5138000000e-03 -2.8743000000e-03  5.0307000000e-03 -8.4101000000e-03
-
-JOB 475
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2896000000e-02 -9.1135400000e-01  2.8070200000e-01  8.8358600000e-01  2.4889200000e-01 -2.7122100000e-01  2.7900960000e+00  1.3284570000e+00  1.7170790000e+00  2.5252180000e+00  2.1571310000e+00  2.1162920000e+00  3.1350170000e+00  1.5749370000e+00  8.5887800000e-01
-ENERGY -1.526545226279e+02
-FORCES  5.6315000000e-03 -2.4346000000e-03  2.5821000000e-03 -9.9970000000e-04  3.1458000000e-03 -1.7650000000e-03 -3.6619000000e-03 -6.6100000000e-04 -1.6580000000e-03 -2.3580000000e-04  5.5899000000e-03 -1.2800000000e-04  1.9250000000e-03 -3.3759000000e-03 -1.6827000000e-03 -2.6591000000e-03 -2.2641000000e-03  2.6515000000e-03
-
-JOB 476
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9637000000e-01  1.9918500000e-01 -2.7032800000e-01  5.4955400000e-01  4.9325100000e-01 -6.0903700000e-01  1.6449300000e-01  1.9648810000e+00  2.0437020000e+00  6.4108400000e-01  2.0403660000e+00  1.2170250000e+00 -7.5183800000e-01  1.8681030000e+00  1.7844660000e+00
-ENERGY -1.526490780340e+02
-FORCES -1.0209000000e-03  3.2458000000e-03 -3.9950000000e-04  4.0280000000e-03  8.2360000000e-04  2.9883000000e-03 -2.2817000000e-03  2.3870000000e-04  5.1914000000e-03 -2.2612000000e-03 -9.4069000000e-03 -9.9605000000e-03  4.5920000000e-04  2.9925000000e-03  9.0630000000e-04  1.0765000000e-03  2.1064000000e-03  1.2741000000e-03
-
-JOB 477
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9242000000e-01  1.6176900000e-01 -8.0472700000e-01 -4.7250500000e-01  4.8985700000e-01  6.7306100000e-01 -1.0629800000e+00  1.8432800000e+00  1.6992570000e+00 -4.7885500000e-01  2.2504960000e+00  2.3389490000e+00 -1.8560000000e+00  1.6384960000e+00  2.1946500000e+00
-ENERGY -1.526602981664e+02
-FORCES -6.8079000000e-03  1.1301100000e-02  7.1035000000e-03  7.7830000000e-04 -4.2840000000e-04  2.5242000000e-03  2.1430000000e-03 -8.0701000000e-03 -4.9819000000e-03  3.4859000000e-03 -1.1498000000e-03  6.0700000000e-04 -4.3658000000e-03 -1.9794000000e-03 -2.3422000000e-03  4.7664000000e-03  3.2660000000e-04 -2.9106000000e-03
-
-JOB 478
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1618500000e-01 -3.8765300000e-01  6.2150900000e-01 -5.5342600000e-01  3.6694100000e-01 -6.8942400000e-01  4.9851200000e-01 -2.4185670000e+00 -4.8764300000e-01  1.3435320000e+00 -2.6546840000e+00 -8.7029400000e-01  5.0712700000e-01 -1.4618450000e+00 -4.5864200000e-01
-ENERGY -1.526566852006e+02
-FORCES -1.1957000000e-03 -1.5172400000e-02 -2.0766000000e-03  4.3536000000e-03  1.1866000000e-03 -5.7410000000e-03  3.1503000000e-03 -3.7237000000e-03  3.4731000000e-03 -2.5024000000e-03  2.3645500000e-02  3.7029000000e-03 -2.1386000000e-03  4.2142000000e-03  7.0820000000e-04 -1.6672000000e-03 -1.0150200000e-02 -6.6600000000e-05
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-JOB 479
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9266700000e-01  7.6599400000e-01  4.1868600000e-01  4.1234500000e-01 -4.8078700000e-01  7.1766800000e-01  3.4246200000e-01  3.0083200000e+00 -1.7271210000e+00 -4.0936900000e-01  3.2502420000e+00 -1.1863300000e+00  6.4313800000e-01  3.8353080000e+00 -2.1038390000e+00
-ENERGY -1.526520308240e+02
-FORCES  1.1110000000e-03  2.1984000000e-03  4.0530000000e-03  2.9870000000e-04 -2.9464000000e-03 -1.2604000000e-03 -1.6756000000e-03  1.8287000000e-03 -3.0864000000e-03 -1.8427000000e-03  4.4055000000e-03 -1.8510000000e-04  3.2197000000e-03 -1.7127000000e-03 -1.0991000000e-03 -1.1112000000e-03 -3.7735000000e-03  1.5780000000e-03
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-JOB 480
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5593300000e-01  5.0384500000e-01 -5.9440000000e-01 -1.1956000000e-02 -8.8180100000e-01 -3.7217700000e-01 -1.5965240000e+00  2.7646580000e+00  7.1562200000e-01 -2.3847490000e+00  3.1548890000e+00  3.3792700000e-01 -1.1428060000e+00  2.3710930000e+00 -2.9683000000e-02
-ENERGY -1.526538150306e+02
-FORCES  3.0429000000e-03 -3.9231000000e-03 -2.8467000000e-03 -4.6349000000e-03 -3.9120000000e-04  2.4870000000e-03  2.1640000000e-04  3.9513000000e-03  1.7478000000e-03 -1.0345000000e-03 -2.9605000000e-03 -4.2920000000e-03  3.0936000000e-03 -1.6833000000e-03  1.5263000000e-03 -6.8350000000e-04  5.0069000000e-03  1.3776000000e-03
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-JOB 481
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1350100000e-01 -6.2210100000e-01  1.4191100000e-01  7.4994300000e-01 -5.4515200000e-01 -2.3796300000e-01  1.1245460000e+00 -2.5368550000e+00  5.3145000000e-02  1.1275450000e+00 -3.3730940000e+00  5.1889900000e-01  1.6638120000e+00 -2.6921150000e+00 -7.2230200000e-01
-ENERGY -1.526565100531e+02
-FORCES  2.7920000000e-03 -1.4149900000e-02  2.0797000000e-03 -9.3390000000e-04  3.8523000000e-03 -5.9400000000e-05  1.3849000000e-03  4.5768000000e-03 -4.0646000000e-03  1.7300000000e-05 -7.2890000000e-04  9.8400000000e-04 -2.9000000000e-04  3.4305000000e-03 -3.1102000000e-03 -2.9702000000e-03  3.0192000000e-03  4.1705000000e-03
-
-JOB 482
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4773300000e-01  4.2856400000e-01 -8.1926400000e-01 -5.3092600000e-01 -7.4865600000e-01 -2.7177900000e-01 -1.7351080000e+00 -2.2137890000e+00  2.7331300000e-01 -2.3293020000e+00 -2.2385760000e+00  1.0233460000e+00 -1.3123050000e+00 -3.0725490000e+00  2.7361300000e-01
-ENERGY -1.526605213147e+02
-FORCES -5.9484000000e-03 -6.2719000000e-03 -1.0100000000e-03 -1.6746000000e-03 -2.8027000000e-03  2.3016000000e-03  7.3047000000e-03  6.7898000000e-03 -3.0227000000e-03 -4.3300000000e-05  2.3700000000e-05  5.3068000000e-03  2.2931000000e-03 -1.9847000000e-03 -3.4757000000e-03 -1.9315000000e-03  4.2459000000e-03 -1.0000000000e-04
-
-JOB 483
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9329000000e-02 -9.1229200000e-01  2.8360900000e-01 -1.0513100000e-01  4.9714300000e-01  8.1119000000e-01  2.0146650000e+00  7.2213100000e-01 -1.7594970000e+00  1.6542750000e+00  7.9005100000e-01 -2.6436560000e+00  1.2492380000e+00  6.0580300000e-01 -1.1966270000e+00
-ENERGY -1.526616635054e+02
-FORCES  3.5174000000e-03 -1.9490000000e-03  1.4564000000e-03 -1.2303000000e-03  4.8645000000e-03 -1.7350000000e-04  7.6520000000e-04 -3.1633000000e-03 -3.8487000000e-03 -1.0586400000e-02 -2.8833000000e-03  6.1866000000e-03  2.1820000000e-04 -6.5030000000e-04  3.0464000000e-03  7.3159000000e-03  3.7813000000e-03 -6.6672000000e-03
-
-JOB 484
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0588700000e-01  1.1210000000e-03  9.0700800000e-01  6.3739300000e-01  7.1304000000e-01 -3.9189000000e-02  1.9081130000e+00  1.7262300000e-01  2.5700340000e+00  1.5049540000e+00  5.3023000000e-01  3.3611170000e+00  2.0033240000e+00  9.2618400000e-01  1.9875290000e+00
-ENERGY -1.526526436324e+02
-FORCES  3.4628000000e-03  7.8710000000e-04  6.4267000000e-03 -1.2982000000e-03  1.5328000000e-03 -4.6388000000e-03 -1.5270000000e-03 -1.3118000000e-03  6.0810000000e-04  1.0428000000e-03  4.1313000000e-03  1.1613000000e-03  6.7040000000e-04 -1.9812000000e-03 -4.5151000000e-03 -2.3509000000e-03 -3.1582000000e-03  9.5770000000e-04
-
-JOB 485
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1241300000e-01 -8.5866800000e-01  2.8516400000e-01 -7.0570100000e-01  6.0240200000e-01  2.3522400000e-01  2.0212870000e+00 -1.0946220000e+00  2.7836360000e+00  2.8400700000e+00 -5.9935000000e-01  2.7605610000e+00  1.6432880000e+00 -8.9364500000e-01  3.6397650000e+00
-ENERGY -1.526539491669e+02
-FORCES -2.8838000000e-03 -2.2370000000e-03  3.6591000000e-03 -2.6450000000e-04  3.6719000000e-03 -2.4105000000e-03  2.7590000000e-03 -2.1286000000e-03 -8.6300000000e-04  2.3309000000e-03  4.0386000000e-03  2.2714000000e-03 -3.0154000000e-03 -2.3703000000e-03  8.8570000000e-04  1.0737000000e-03 -9.7470000000e-04 -3.5427000000e-03
-
-JOB 486
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8486900000e-01 -6.5930500000e-01  1.1181800000e-01  4.5472500000e-01  8.3690700000e-01  9.5097000000e-02 -1.9623250000e+00  2.2299600000e+00  1.1055300000e-01 -2.2733600000e+00  1.3302750000e+00  2.1083600000e-01 -1.0906680000e+00  2.2280310000e+00  5.0608100000e-01
-ENERGY -1.526540883439e+02
-FORCES  5.1654000000e-03  7.6310000000e-04 -7.2900000000e-04 -3.2224000000e-03  3.3608000000e-03 -7.4450000000e-04 -4.2819000000e-03 -1.7054000000e-03  2.1380000000e-03  3.0510000000e-03 -8.5467000000e-03  1.6729000000e-03 -1.6946000000e-03  5.3574000000e-03  1.5800000000e-05  9.8250000000e-04  7.7070000000e-04 -2.3533000000e-03
-
-JOB 487
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6456400000e-01  2.8481100000e-01  7.8695300000e-01 -4.8571100000e-01 -7.6806200000e-01 -3.0066200000e-01  1.5229530000e+00  2.3738400000e-01 -2.2782530000e+00  9.8841600000e-01  3.0763700000e-01 -1.4873250000e+00  1.8882970000e+00 -6.4665900000e-01 -2.2432550000e+00
-ENERGY -1.526593607484e+02
-FORCES -4.9010000000e-04  1.0203000000e-03 -1.2693000000e-03  1.0374000000e-03 -3.2974000000e-03 -3.6139000000e-03  3.5739000000e-03  4.2335000000e-03  1.2063000000e-03 -4.1225000000e-03 -1.1331000000e-03  1.1559800000e-02  2.2281000000e-03 -2.7801000000e-03 -7.7814000000e-03 -2.2268000000e-03  1.9569000000e-03 -1.0160000000e-04
-
-JOB 488
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4360700000e-01 -1.2325000000e-01  1.0318300000e-01  1.4865000000e-01  9.1744400000e-01  2.2898000000e-01  1.4417100000e+00  7.0982000000e-02 -2.4147770000e+00  8.8008000000e-01 -2.4709000000e-01 -1.7079300000e+00  1.4507520000e+00  1.0217920000e+00 -2.3047270000e+00
-ENERGY -1.526589262582e+02
-FORCES -1.1839000000e-03  3.7590000000e-03 -1.0250000000e-04  4.9362000000e-03  1.2754000000e-03 -8.2970000000e-04 -1.0714000000e-03 -4.2858000000e-03 -2.3997000000e-03 -7.0505000000e-03  1.3176000000e-03  1.1264400000e-02  4.1118000000e-03 -1.6370000000e-04 -7.9107000000e-03  2.5780000000e-04 -1.9025000000e-03 -2.1800000000e-05
-
-JOB 489
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1183900000e-01 -5.6501200000e-01  7.0693000000e-01  7.0502000000e-01 -1.4188000000e-02 -6.4728400000e-01  1.9356370000e+00 -9.2929900000e-01 -1.5073330000e+00  2.2283790000e+00 -1.8011680000e+00 -1.2420450000e+00  1.4007500000e+00 -1.0824190000e+00 -2.2862310000e+00
-ENERGY -1.526552903401e+02
-FORCES  1.7882000000e-02 -8.8847000000e-03 -7.9560000000e-03 -1.6477000000e-03  7.1030000000e-04 -7.1590000000e-04 -6.6537000000e-03  4.0331000000e-03 -2.3687000000e-03 -9.7645000000e-03 -1.9427000000e-03  7.1339000000e-03 -1.5577000000e-03  3.8622000000e-03 -1.8996000000e-03  1.7416000000e-03  2.2217000000e-03  5.8063000000e-03
-
-JOB 490
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4991000000e-02 -5.0499300000e-01 -8.1239700000e-01 -3.7685200000e-01 -5.8143200000e-01  6.6041800000e-01 -2.0711660000e+00  1.7356310000e+00 -8.5497000000e-02 -1.4921520000e+00  9.9451600000e-01 -2.6361000000e-01 -2.6128530000e+00  1.8111780000e+00 -8.7105400000e-01
-ENERGY -1.526570943358e+02
-FORCES -1.1117000000e-03 -1.3131000000e-03  1.9311000000e-03 -3.3833000000e-03  4.9479000000e-03  4.2822000000e-03  2.7210000000e-04  4.3041000000e-03 -5.3426000000e-03  1.1488700000e-02 -7.9396000000e-03 -8.6810000000e-04 -1.0919900000e-02  2.3199000000e-03 -1.8090000000e-03  3.6541000000e-03 -2.3192000000e-03  1.8064000000e-03
-
-JOB 491
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0049500000e-01  4.2458800000e-01  6.1266800000e-01  7.1227300000e-01  6.2938900000e-01 -1.1299800000e-01  1.8326790000e+00 -2.1756830000e+00 -6.7791200000e-01  1.4464070000e+00 -2.8704720000e+00 -1.4471900000e-01  1.2532390000e+00 -1.4246310000e+00 -5.4984300000e-01
-ENERGY -1.526593706187e+02
-FORCES -7.7770000000e-04  2.8325000000e-03  3.1307000000e-03  3.0793000000e-03 -5.6870000000e-04 -2.9746000000e-03 -2.9683000000e-03 -5.6627000000e-03  2.3360000000e-04 -9.0076000000e-03  3.1745000000e-03  4.4922000000e-03  1.8051000000e-03  1.2289000000e-03 -1.6936000000e-03  7.8692000000e-03 -1.0045000000e-03 -3.1882000000e-03
-
-JOB 492
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1347000000e-02  3.5181700000e-01 -8.8871800000e-01 -2.7669000000e-02 -9.4937700000e-01 -1.1894900000e-01 -8.9430500000e-01  1.9238760000e+00 -1.9231380000e+00 -5.9682000000e-01  2.4838420000e+00 -2.6401960000e+00 -1.8401010000e+00  2.0659510000e+00 -1.8842120000e+00
-ENERGY -1.526592645520e+02
-FORCES -1.3855000000e-03  2.9679000000e-03 -6.8206000000e-03  3.4335000000e-03 -6.6108000000e-03  5.3133000000e-03 -4.8770000000e-04  3.7094000000e-03 -4.2730000000e-04 -4.2802000000e-03  2.3707000000e-03  4.3890000000e-04 -1.5233000000e-03 -2.8176000000e-03  3.3189000000e-03  4.2433000000e-03  3.8040000000e-04 -1.8232000000e-03
-
-JOB 493
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0873900000e-01  1.5080200000e-01 -6.2544400000e-01 -1.5837200000e-01 -8.8300500000e-01  3.3384600000e-01  2.0889890000e+00 -8.9706200000e-01 -1.3270780000e+00  2.0831770000e+00 -1.8310100000e+00 -1.1174620000e+00  1.2641080000e+00 -5.6619400000e-01 -9.7165000000e-01
-ENERGY -1.526549938105e+02
-FORCES  3.0407000000e-03 -4.1151000000e-03 -2.5902000000e-03  6.3154000000e-03 -2.4614000000e-03  2.3546000000e-03  4.0471000000e-03  3.9578000000e-03 -5.6403000000e-03 -1.5269900000e-02  7.1528000000e-03  1.0636200000e-02 -2.3633000000e-03  3.2741000000e-03  9.4350000000e-04  4.2299000000e-03 -7.8083000000e-03 -5.7039000000e-03
-
-JOB 494
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8165500000e-01 -9.1065900000e-01 -2.3223600000e-01  8.3078100000e-01 -3.4396000000e-02  4.7418600000e-01  2.4203660000e+00 -6.1178200000e-01  8.9361200000e-01  2.9728520000e+00 -2.2928000000e-02  3.7956700000e-01  2.5075240000e+00 -1.4612320000e+00  4.6109700000e-01
-ENERGY -1.526568434622e+02
-FORCES  1.7231200000e-02 -7.2572000000e-03  8.0707000000e-03  1.2474000000e-03  1.7638000000e-03  8.0100000000e-05 -6.4732000000e-03  4.2820000000e-03 -4.6113000000e-03 -5.6357000000e-03 -3.9800000000e-04 -7.6186000000e-03 -4.8624000000e-03 -3.1381000000e-03  2.4169000000e-03 -1.5073000000e-03  4.7475000000e-03  1.6621000000e-03
-
-JOB 495
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5700400000e-01  8.1202100000e-01 -4.8187400000e-01 -1.8883200000e-01  2.2169600000e-01  9.1182500000e-01 -5.9458700000e-01  2.6231020000e+00 -1.0042260000e+00  3.4417700000e-01  2.7911110000e+00 -1.0862450000e+00 -9.0304500000e-01  3.2826780000e+00 -3.8290000000e-01
-ENERGY -1.526590629296e+02
-FORCES -5.5767000000e-03  1.1089200000e-02 -1.1994000000e-03  6.8717000000e-03 -6.8577000000e-03  1.2541000000e-03  9.6910000000e-04 -7.7650000000e-04 -2.2031000000e-03  9.0810000000e-04  3.5448000000e-03  3.1512000000e-03 -5.4921000000e-03 -3.9888000000e-03  1.9938000000e-03  2.3199000000e-03 -3.0111000000e-03 -2.9968000000e-03
-
-JOB 496
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6978500000e-01 -2.7062700000e-01 -8.4038800000e-01 -2.5571100000e-01  9.1275800000e-01 -1.3310500000e-01  1.9854150000e+00  8.4832600000e-01  1.9759760000e+00  1.3736380000e+00  3.2069200000e-01  1.4625920000e+00  2.8513000000e+00  5.4232800000e-01  1.7060880000e+00
-ENERGY -1.526609693784e+02
-FORCES -2.0450000000e-04  4.1327000000e-03 -4.6946000000e-03 -1.2042000000e-03  1.6472000000e-03  4.2297000000e-03  1.6300000000e-03 -5.2087000000e-03  4.0900000000e-04 -4.0612000000e-03 -5.6698000000e-03 -6.6465000000e-03  6.8521000000e-03  4.2561000000e-03  6.5793000000e-03 -3.0122000000e-03  8.4240000000e-04  1.2310000000e-04
-
-JOB 497
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4270900000e-01  6.0383100000e-01  1.5170000000e-03  5.8953400000e-01  3.4637600000e-01 -6.6985500000e-01 -1.5377980000e+00  2.3575530000e+00 -3.7244700000e-01 -1.0996440000e+00  3.0489080000e+00 -8.6871400000e-01 -1.3841330000e+00  2.5859630000e+00  5.4431200000e-01
-ENERGY -1.526582771627e+02
-FORCES -5.6690000000e-03  1.0884500000e-02 -6.3169000000e-03  2.8270000000e-03 -5.1949000000e-03  6.3367000000e-03 -1.6460000000e-04 -1.4957000000e-03  2.0169000000e-03  4.7166000000e-03  2.7688000000e-03  4.0660000000e-04 -1.8582000000e-03 -3.0553000000e-03  2.8610000000e-03  1.4810000000e-04 -3.9074000000e-03 -5.3043000000e-03
-
-JOB 498
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5760300000e-01  8.2067400000e-01 -3.3888900000e-01  7.8322300000e-01 -1.5647400000e-01 -5.2755100000e-01  3.1283070000e+00  1.4484660000e+00  4.0540300000e-01  2.6392660000e+00  2.1928950000e+00  7.5596700000e-01  3.6324050000e+00  1.8135090000e+00 -3.2182400000e-01
-ENERGY -1.526553313025e+02
-FORCES  4.3903000000e-03  2.7036000000e-03 -3.1089000000e-03  1.1158000000e-03 -2.6954000000e-03  1.5799000000e-03 -5.4808000000e-03 -5.3100000000e-04  4.8120000000e-04  5.5190000000e-04  5.2834000000e-03  7.3730000000e-04  2.4305000000e-03 -2.6821000000e-03 -2.3103000000e-03 -3.0076000000e-03 -2.0785000000e-03  2.6208000000e-03
-
-JOB 499
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8729100000e-01  5.1599900000e-01  1.7363700000e-01 -2.6871800000e-01 -6.3025200000e-01 -6.6843500000e-01  2.8943560000e+00 -5.6760500000e-01 -1.6601470000e+00  2.8603410000e+00 -9.2789600000e-01 -7.7399500000e-01  1.9893800000e+00 -3.2426600000e-01 -1.8551760000e+00
-ENERGY -1.526559979136e+02
-FORCES -6.2825000000e-03  4.9490000000e-04 -1.4670000000e-04  3.3055000000e-03 -2.6103000000e-03 -9.0370000000e-04  3.3649000000e-03  3.4228000000e-03  1.8806000000e-03 -4.7374000000e-03  1.7576000000e-03  5.2881000000e-03  1.3519000000e-03 -8.7000000000e-05 -4.3136000000e-03  2.9977000000e-03 -2.9780000000e-03 -1.8047000000e-03
-
-JOB 500
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0046400000e-01  7.4882100000e-01  3.2409000000e-01  4.2895200000e-01 -2.3767700000e-01 -8.2203500000e-01  1.1500000000e-04  3.9691180000e+00 -3.5141400000e-01 -9.2463200000e-01  4.0836370000e+00 -5.7041300000e-01  2.2923100000e-01  4.7567480000e+00  1.4191800000e-01
-ENERGY -1.526563751270e+02
-FORCES  3.9149000000e-03  3.6513000000e-03 -2.1790000000e-03 -1.6280000000e-03 -5.0403000000e-03 -5.9940000000e-04 -1.7389000000e-03  3.8930000000e-04  3.1159000000e-03 -3.7255000000e-03  4.2650000000e-03  7.5560000000e-04  4.0963000000e-03  1.1500000000e-04  9.0270000000e-04 -9.1880000000e-04 -3.3803000000e-03 -1.9958000000e-03
-
-JOB 501
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9284800000e-01  4.9899700000e-01 -7.1617300000e-01  8.7453100000e-01  3.7537300000e-01  1.0258400000e-01 -5.2420900000e-01  9.0027400000e-01 -2.3431460000e+00 -1.2957780000e+00  7.0396400000e-01 -2.8745350000e+00  3.3895000000e-02  1.4265800000e+00 -2.9156440000e+00
-ENERGY -1.526551308917e+02
-FORCES -1.4612000000e-03  8.1017000000e-03 -1.9463400000e-02 -1.6636000000e-03 -1.2997000000e-03  5.1977000000e-03 -1.9144000000e-03 -5.8590000000e-04 -7.7570000000e-04  3.8247000000e-03 -4.7234000000e-03  1.0980900000e-02  4.6418000000e-03  1.6174000000e-03  2.2409000000e-03 -3.4272000000e-03 -3.1101000000e-03  1.8196000000e-03
-
-JOB 502
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8837700000e-01 -7.3783100000e-01 -3.6513800000e-01 -9.1848500000e-01 -2.5783000000e-01 -7.8370000000e-02 -4.8015400000e-01  5.2143200000e-01 -3.1901130000e+00 -1.0330390000e+00  1.1149590000e+00 -2.6819040000e+00 -1.0976280000e+00 -1.6013000000e-02 -3.6862070000e+00
-ENERGY -1.526542502069e+02
-FORCES -5.3200000000e-04 -4.7438000000e-03 -5.1284000000e-03 -1.7979000000e-03  1.9897000000e-03  3.5957000000e-03  2.7042000000e-03  1.8860000000e-03  5.0620000000e-04 -3.8690000000e-03  2.2404000000e-03  1.2598000000e-03  8.1780000000e-04 -2.9225000000e-03 -3.3400000000e-03  2.6768000000e-03  1.5503000000e-03  3.1068000000e-03
-
-JOB 503
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9156600000e-01  4.4476500000e-01  4.9005300000e-01 -8.0959900000e-01  4.1597400000e-01  2.9622200000e-01  2.3671510000e+00  4.2291000000e-01  1.2680650000e+00  2.5556340000e+00 -3.8613600000e-01  1.7436180000e+00  2.6400930000e+00  2.4176800000e-01  3.6866400000e-01
-ENERGY -1.526595227183e+02
-FORCES  8.5376000000e-03  3.8881000000e-03  8.4598000000e-03 -5.2807000000e-03 -1.3708000000e-03 -9.1536000000e-03  3.6762000000e-03 -8.4860000000e-04  5.2060000000e-04 -1.8497000000e-03 -7.5608000000e-03 -2.3189000000e-03  1.9390000000e-04  4.1146000000e-03 -2.4669000000e-03 -5.2772000000e-03  1.7774000000e-03  4.9590000000e-03
-
-JOB 504
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8562900000e-01 -7.9873000000e-02  5.4096200000e-01 -5.1061700000e-01 -7.8425200000e-01  2.0112200000e-01 -2.1186180000e+00  1.4286550000e+00  8.8040300000e-01 -1.5371610000e+00  7.3066200000e-01  5.7883000000e-01 -2.8765060000e+00  1.3780750000e+00  2.9792600000e-01
-ENERGY -1.526545549853e+02
-FORCES  4.9150000000e-04  2.0653000000e-03  5.1124000000e-03 -4.0130000000e-03 -7.7570000000e-04 -3.3323000000e-03 -2.2723000000e-03  9.9301000000e-03  7.1170000000e-04  1.1097200000e-02 -4.7495000000e-03 -6.5612000000e-03 -9.0329000000e-03 -4.8548000000e-03  2.8439000000e-03  3.7295000000e-03 -1.6154000000e-03  1.2254000000e-03
-
-JOB 505
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2656400000e-01  3.8753000000e-02  8.5602200000e-01 -6.7805700000e-01 -6.6821700000e-01  9.9781000000e-02  4.4310400000e-01  6.1053200000e-01 -2.7742130000e+00  2.5650300000e-01  1.4604140000e+00 -3.1731020000e+00 -3.0773300000e-01  4.4266500000e-01 -2.2047420000e+00
-ENERGY -1.526544017866e+02
-FORCES  2.7920000000e-03 -1.5375000000e-03  3.3776000000e-03 -2.3311000000e-03 -6.1620000000e-04 -3.2985000000e-03  2.6143000000e-03  4.0948000000e-03 -2.6956000000e-03 -3.1954000000e-03  1.7321000000e-03  6.9878000000e-03  8.9200000000e-04 -2.9865000000e-03  2.0247000000e-03 -7.7200000000e-04 -6.8680000000e-04 -6.3961000000e-03
-
-JOB 506
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2293900000e-01  1.7463300000e-01 -8.8399400000e-01  1.3520000000e-01  8.6728300000e-01  3.8180200000e-01 -1.4737200000e-01 -2.3043420000e+00  1.4718210000e+00  4.3562000000e-02 -2.7375120000e+00  6.3987200000e-01 -2.9384000000e-02 -1.3720800000e+00  1.2896170000e+00
-ENERGY -1.526579650632e+02
-FORCES -2.5258000000e-03 -2.9274000000e-03 -5.6500000000e-04  2.3422000000e-03  4.7590000000e-04  3.9633000000e-03 -1.1414000000e-03 -5.1192000000e-03 -1.3269000000e-03  1.4053000000e-03  1.0614200000e-02 -1.1264300000e-02 -9.7340000000e-04 -8.4100000000e-04  2.2090000000e-03  8.9310000000e-04 -2.2026000000e-03  6.9838000000e-03
-
-JOB 507
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4916600000e-01  3.2362600000e-01 -8.8839600000e-01  1.5789400000e-01 -9.4229300000e-01 -5.8175000000e-02 -8.8653300000e-01 -1.3849340000e+00  2.2369060000e+00 -1.8264580000e+00 -1.5659580000e+00  2.2386580000e+00 -4.7979000000e-01 -2.2258540000e+00  2.4458180000e+00
-ENERGY -1.526518794872e+02
-FORCES  3.3240000000e-04 -5.6850000000e-03  1.1006000000e-03 -1.6174000000e-03 -1.6882000000e-03  4.6865000000e-03  1.3082000000e-03  3.4811000000e-03 -3.0899000000e-03 -3.5159000000e-03 -7.1420000000e-04  4.3040000000e-04  4.3290000000e-03  3.8920000000e-04  1.3970000000e-04 -8.3640000000e-04  4.2172000000e-03 -3.2673000000e-03
-
-JOB 508
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9286300000e-01 -7.0362900000e-01  6.1963000000e-01 -8.1258800000e-01  5.0319200000e-01 -5.2246000000e-02 -1.0106740000e+00 -1.9669600000e+00  1.8177230000e+00 -8.5127300000e-01 -1.6789230000e+00  2.7165320000e+00 -3.1454800000e-01 -2.5998850000e+00  1.6415200000e+00
-ENERGY -1.526600265825e+02
-FORCES -8.7357000000e-03 -6.7314000000e-03  7.5088000000e-03  7.4570000000e-03  3.7438000000e-03 -5.4175000000e-03  2.6886000000e-03 -4.8760000000e-04 -3.4000000000e-05  1.6375000000e-03 -1.8670000000e-03  3.5909000000e-03 -3.1300000000e-04 -1.1903000000e-03 -5.4015000000e-03 -2.7345000000e-03  6.5325000000e-03 -2.4680000000e-04
-
-JOB 509
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7057100000e-01 -3.2938600000e-01  4.6255500000e-01  7.3238700000e-01 -1.9486800000e-01  5.8469400000e-01  7.1054200000e-01 -2.9679390000e+00  9.2770500000e-01  3.7511000000e-01 -2.5833770000e+00  1.1787300000e-01  1.6260390000e+00 -2.6908180000e+00  9.6376100000e-01
-ENERGY -1.526568186099e+02
-FORCES -8.8310000000e-04 -1.3190000000e-03  7.3622000000e-03  3.0393000000e-03  1.0321000000e-03 -3.7088000000e-03 -1.4152000000e-03  1.9310000000e-04 -4.1442000000e-03  2.5126000000e-03  2.3112000000e-03 -5.5493000000e-03  8.9390000000e-04 -2.6282000000e-03  5.3419000000e-03 -4.1475000000e-03  4.1090000000e-04  6.9810000000e-04
-
-JOB 510
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8817400000e-01  5.7855000000e-01  4.8534800000e-01 -8.7653500000e-01  2.4617000000e-01  2.9549600000e-01 -9.2261900000e-01 -3.0722110000e+00  3.1584900000e-01 -1.5058090000e+00 -2.3482040000e+00  8.7958000000e-02 -4.4139000000e-01 -2.7605930000e+00  1.0823630000e+00
-ENERGY -1.526537314851e+02
-FORCES -5.4300000000e-05  4.7008000000e-03  2.0768000000e-03 -2.6768000000e-03 -3.0682000000e-03 -1.9218000000e-03  3.2959000000e-03 -3.5108000000e-03 -1.1078000000e-03  2.6838000000e-03  7.8424000000e-03  6.4820000000e-04 -5.5830000000e-04 -2.9005000000e-03  1.4526000000e-03 -2.6903000000e-03 -3.0637000000e-03 -1.1480000000e-03
-
-JOB 511
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2112000000e-02  1.5020900000e-01  9.4440200000e-01 -7.7419100000e-01 -5.2852800000e-01 -1.9369800000e-01 -1.9004870000e+00 -1.5638410000e+00  9.4255700000e-01 -1.0905960000e+00 -2.0672820000e+00  1.0253590000e+00 -1.9895680000e+00 -1.1127730000e+00  1.7821010000e+00
-ENERGY -1.526524463648e+02
-FORCES -1.6525800000e-02 -7.9533000000e-03  7.8223000000e-03  1.0789000000e-03 -1.2857000000e-03 -6.2000000000e-05  6.3186000000e-03 -1.5205000000e-03 -2.6405000000e-03  9.8433000000e-03  6.4685000000e-03  1.4095000000e-03 -3.2912000000e-03  5.5225000000e-03 -2.3026000000e-03  2.5762000000e-03 -1.2316000000e-03 -4.2267000000e-03
-
-JOB 512
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7463000000e-02  8.7935700000e-01 -3.7203800000e-01 -8.3795800000e-01 -1.3879000000e-01  4.4135700000e-01  9.2229800000e-01  2.6335680000e+00 -5.6526000000e-01  1.7312030000e+00  2.3405660000e+00 -1.4567100000e-01  1.1845510000e+00  2.8660170000e+00 -1.4560020000e+00
-ENERGY -1.526614403745e+02
-FORCES -8.5830000000e-04  8.9554000000e-03 -1.5286000000e-03 -2.5269000000e-03 -9.8318000000e-03  1.7730000000e-03  2.7074000000e-03  1.5886000000e-03 -1.6934000000e-03  5.9963000000e-03 -1.0821000000e-03  2.9590000000e-04 -4.0013000000e-03  2.3454000000e-03 -3.0950000000e-03 -1.3171000000e-03 -1.9754000000e-03  4.2481000000e-03
-
-JOB 513
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4465500000e-01  1.5418400000e-01 -9.3080000000e-03 -3.2739200000e-01  4.6967700000e-01 -7.6710500000e-01 -2.5429100000e-01 -2.5007200000e+00  1.3567530000e+00 -8.8143900000e-01 -3.2158070000e+00  1.4643050000e+00 -6.0924400000e-01 -1.9761150000e+00  6.3909800000e-01
-ENERGY -1.526590483836e+02
-FORCES  5.1447000000e-03  2.3281000000e-03 -5.3690000000e-04 -4.6524000000e-03  6.5770000000e-04 -1.2043000000e-03  1.2386000000e-03 -2.9170000000e-03  3.4755000000e-03 -2.2238000000e-03  4.9138000000e-03 -3.9340000000e-03  1.6457000000e-03  3.4945000000e-03 -1.3393000000e-03 -1.1527000000e-03 -8.4771000000e-03  3.5389000000e-03
-
-JOB 514
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8323700000e-01  6.8229700000e-01 -5.5121000000e-01  7.6142000000e-02  3.4061100000e-01  8.9130200000e-01  2.2154750000e+00  3.6521200000e-01 -1.4029470000e+00  1.9554930000e+00  1.2439080000e+00 -1.6795970000e+00  3.1692070000e+00  4.0780800000e-01 -1.3335760000e+00
-ENERGY -1.526469749411e+02
-FORCES  1.3087800000e-02  2.4536000000e-03 -3.2282000000e-03 -2.7263000000e-03  4.2085000000e-03 -2.3058000000e-03  1.1480000000e-04 -1.3497000000e-03 -3.2717000000e-03 -1.4876000000e-03  7.4050000000e-04  3.1196000000e-03 -4.0601000000e-03 -5.4483000000e-03  5.5328000000e-03 -4.9286000000e-03 -6.0460000000e-04  1.5320000000e-04
-
-JOB 515
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5830200000e-01  2.0190300000e-01 -3.7253800000e-01  1.4245700000e-01  3.1370000000e-03  9.4653500000e-01  2.2547450000e+00  5.9737400000e-01 -1.9547610000e+00  2.9410000000e+00  1.2375990000e+00 -2.1429060000e+00  2.7124510000e+00 -2.4270100000e-01 -1.9229710000e+00
-ENERGY -1.526596866129e+02
-FORCES  5.7220000000e-03  2.9665000000e-03 -1.5848000000e-03 -5.9051000000e-03 -4.7105000000e-03  6.6392000000e-03  2.3970000000e-04  6.0400000000e-05 -3.5737000000e-03  5.2075000000e-03  7.5090000000e-04 -3.6230000000e-03 -2.6010000000e-03 -3.6878000000e-03  4.8350000000e-04 -2.6632000000e-03  4.6205000000e-03  1.6587000000e-03
-
-JOB 516
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1327900000e-01  5.1682600000e-01  6.9161000000e-01 -5.4462600000e-01 -6.3374500000e-01  4.6688500000e-01  2.2703760000e+00  2.0484190000e+00 -2.8011000000e-02  2.8934490000e+00  2.1752550000e+00  6.8747800000e-01  2.5135190000e+00  1.2057420000e+00 -4.1142800000e-01
-ENERGY -1.526577476766e+02
-FORCES -5.4520000000e-04  2.5203000000e-03  4.1767000000e-03 -2.7129000000e-03 -6.4711000000e-03 -1.6742000000e-03  2.6503000000e-03  3.0455000000e-03 -1.3243000000e-03  4.8373000000e-03 -2.3315000000e-03 -2.4001000000e-03 -3.8519000000e-03 -1.3589000000e-03 -2.4178000000e-03 -3.7770000000e-04  4.5958000000e-03  3.6397000000e-03
-
-JOB 517
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6419400000e-01  2.6465900000e-01 -7.9417300000e-01 -5.1545300000e-01  7.6872200000e-01  2.4414600000e-01 -1.7788680000e+00  1.8954650000e+00  4.5713700000e-01 -1.9171800000e+00  2.5081900000e+00 -2.6513000000e-01 -1.9226100000e+00  2.4180960000e+00  1.2460770000e+00
-ENERGY -1.526582682301e+02
-FORCES -1.1098300000e-02  1.3204600000e-02  2.2833000000e-03 -2.5148000000e-03  6.3500000000e-04  1.9433000000e-03  6.8051000000e-03 -5.4846000000e-03 -1.8555000000e-03  4.7829000000e-03 -3.5821000000e-03 -1.7041000000e-03  1.4367000000e-03 -2.6925000000e-03  4.3942000000e-03  5.8840000000e-04 -2.0803000000e-03 -5.0613000000e-03
-
-JOB 518
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6377300000e-01  5.4829900000e-01 -1.7958500000e-01 -3.5488000000e-01 -8.8467600000e-01  8.7408000000e-02  5.6672900000e-01 -1.9739350000e+00  1.6662350000e+00 -2.9669200000e-01 -2.0298730000e+00  2.0756340000e+00  9.2106600000e-01 -1.1370630000e+00  1.9667700000e+00
-ENERGY -1.526555498520e+02
-FORCES  6.1110000000e-04 -9.6824000000e-03  2.9479000000e-03  2.4076000000e-03 -4.2057000000e-03  2.8651000000e-03 -3.5432000000e-03  6.3245000000e-03 -1.5019000000e-03 -5.7030000000e-04  1.2089900000e-02 -3.9510000000e-04  2.1943000000e-03  1.0468000000e-03 -5.0810000000e-03 -1.0996000000e-03 -5.5732000000e-03  1.1650000000e-03
-
-JOB 519
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7593800000e-01  2.4264500000e-01  6.3282200000e-01  7.8979000000e-01  4.4247000000e-01  3.1094100000e-01  1.3961740000e+00  6.4481000000e-01 -2.3741420000e+00  2.1392370000e+00  7.2955000000e-02 -2.1816050000e+00  7.1935100000e-01  3.7624000000e-01 -1.7528430000e+00
-ENERGY -1.526596001243e+02
-FORCES -1.6300000000e-04  3.4973000000e-03  2.3793000000e-03  4.2971000000e-03 -7.9140000000e-04 -1.8377000000e-03 -4.0846000000e-03 -2.9652000000e-03 -3.6930000000e-03 -5.5209000000e-03 -5.6444000000e-03  6.0506000000e-03 -2.2292000000e-03  2.7127000000e-03  8.6970000000e-04  7.7006000000e-03  3.1910000000e-03 -3.7689000000e-03
-
-JOB 520
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2494000000e-01  2.5827200000e-01 -6.7747800000e-01  2.4863300000e-01 -8.9608500000e-01  2.2681600000e-01 -2.7890100000e-01  1.3301450000e+00  2.2816630000e+00 -1.0292400000e+00  1.9202460000e+00  2.3523990000e+00 -2.8782800000e-01  1.0388030000e+00  1.3699220000e+00
-ENERGY -1.526604630359e+02
-FORCES  2.5035000000e-03  6.2110000000e-04  7.0888000000e-03 -2.8778000000e-03 -1.8887000000e-03  3.6388000000e-03 -4.1910000000e-04  4.4248000000e-03 -2.9770000000e-03  4.5180000000e-04 -6.8618000000e-03 -1.3590500000e-02  2.1111000000e-03 -2.2664000000e-03 -2.4041000000e-03 -1.7696000000e-03  5.9711000000e-03  8.2440000000e-03
-
-JOB 521
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5623500000e-01  5.5688600000e-01 -1.8498400000e-01  7.0466400000e-01  3.6710700000e-01 -5.3377200000e-01  2.3793890000e+00  1.2419920000e+00 -7.5604300000e-01  3.2686450000e+00  9.0688400000e-01 -8.7075600000e-01  2.4904950000e+00  2.0518370000e+00 -2.5800800000e-01
-ENERGY -1.526602824699e+02
-FORCES  8.1472000000e-03  5.3705000000e-03 -4.4958000000e-03  3.3606000000e-03 -6.4740000000e-04  6.4410000000e-04 -8.9479000000e-03 -3.3782000000e-03  1.5501000000e-03  4.6440000000e-04 -6.5470000000e-04  4.2799000000e-03 -3.4866000000e-03  2.7218000000e-03  1.0989000000e-03  4.6220000000e-04 -3.4120000000e-03 -3.0772000000e-03
-
-JOB 522
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8001300000e-01 -2.5690700000e-01 -2.7533100000e-01 -1.1682000000e-01  3.4611200000e-01  8.8475500000e-01 -2.6468800000e+00  1.2369500000e-01 -1.0373510000e+00 -3.3424120000e+00 -1.7946800000e-01 -4.5377600000e-01 -2.6249960000e+00 -5.2429000000e-01 -1.7415290000e+00
-ENERGY -1.526585591099e+02
-FORCES -1.2175300000e-02  2.9855000000e-03 -1.5016000000e-03  8.5254000000e-03 -4.4439000000e-03  2.4201000000e-03  2.1250000000e-04 -1.3747000000e-03 -2.3324000000e-03 -3.0980000000e-03 -1.1173000000e-03 -1.8694000000e-03  5.0346000000e-03  1.1823000000e-03 -2.3473000000e-03  1.5007000000e-03  2.7683000000e-03  5.6305000000e-03
-
-JOB 523
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5080000000e-02  9.2632400000e-01  2.4068200000e-01 -9.2272900000e-01 -2.4692900000e-01 -6.1883000000e-02 -1.1395970000e+00  2.7933890000e+00 -4.2654600000e-01 -1.3996220000e+00  3.6220030000e+00 -2.4032000000e-02 -1.8192870000e+00  2.6191360000e+00 -1.0776140000e+00
-ENERGY -1.526590632760e+02
-FORCES -5.1586000000e-03  7.4886000000e-03  2.6420000000e-04  3.0390000000e-03 -7.0311000000e-03  1.2579000000e-03  2.6887000000e-03 -3.6720000000e-04 -5.0940000000e-04 -3.8138000000e-03  2.8534000000e-03 -2.6495000000e-03  8.8990000000e-04 -3.9540000000e-03 -2.0503000000e-03  2.3548000000e-03  1.0103000000e-03  3.6871000000e-03
-
-JOB 524
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2331600000e-01 -2.8256800000e-01  8.5548500000e-01 -6.6003700000e-01  6.6371700000e-01  2.0015600000e-01  3.0472200000e-01 -2.2669990000e+00  2.3214350000e+00  8.9634400000e-01 -1.6119630000e+00  2.6917640000e+00  7.9383200000e-01 -3.0882260000e+00  2.3723330000e+00
-ENERGY -1.526544378001e+02
-FORCES -2.5813000000e-03 -1.7912000000e-03  5.1231000000e-03  1.3619000000e-03  5.1721000000e-03 -2.2710000000e-03  2.7790000000e-03 -2.4053000000e-03 -6.8110000000e-04  4.5105000000e-03 -4.0721000000e-03  1.9062000000e-03 -3.7662000000e-03 -5.6430000000e-04 -4.6106000000e-03 -2.3039000000e-03  3.6608000000e-03  5.3340000000e-04
-
-JOB 525
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0643800000e-01 -4.8383700000e-01  1.7830200000e-01  2.9673300000e-01  8.6369000000e-01 -2.8674300000e-01 -3.2947400000e-01 -1.7536920000e+00 -2.1936980000e+00 -4.7162100000e-01 -1.0765750000e+00 -1.5322300000e+00  5.4604600000e-01 -1.5742770000e+00 -2.5364920000e+00
-ENERGY -1.526591624880e+02
-FORCES  4.7665000000e-03 -1.0000000000e-06  3.9280000000e-04 -4.2102000000e-03  2.9408000000e-03 -3.0158000000e-03 -1.0008000000e-03 -5.5737000000e-03  1.4050000000e-04  1.9904000000e-03  9.3184000000e-03  8.2505000000e-03  4.5580000000e-04 -6.2346000000e-03 -7.6716000000e-03 -2.0018000000e-03 -4.4990000000e-04  1.9036000000e-03
-
-JOB 526
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4807000000e-01 -2.7365400000e-01 -5.3078900000e-01 -2.7215500000e-01  8.3479000000e-01 -3.8116800000e-01  2.5823810000e+00 -1.9692110000e+00  1.6056640000e+00  3.2184670000e+00 -1.8197410000e+00  9.0617500000e-01  2.6815790000e+00 -2.8953190000e+00  1.8263810000e+00
-ENERGY -1.526527889186e+02
-FORCES  2.7595000000e-03  1.5158000000e-03 -2.8907000000e-03 -3.1492000000e-03  1.7545000000e-03  7.7180000000e-04  1.1787000000e-03 -3.4851000000e-03  1.7639000000e-03  2.8697000000e-03 -3.6890000000e-03 -8.5660000000e-04 -3.3930000000e-03 -1.1960000000e-04  2.1137000000e-03 -2.6570000000e-04  4.0235000000e-03 -9.0200000000e-04
-
-JOB 527
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5804800000e-01 -4.5149000000e-01 -3.7115000000e-01 -3.6520100000e-01  5.5648300000e-01  6.8788600000e-01 -1.8757070000e+00 -1.9410830000e+00 -9.2472400000e-01 -2.1388790000e+00 -2.5574170000e+00 -2.4127400000e-01 -2.5828730000e+00 -1.9804240000e+00 -1.5686180000e+00
-ENERGY -1.526609487783e+02
-FORCES -7.8723000000e-03 -4.9334000000e-03 -2.4442000000e-03  6.0541000000e-03  7.3568000000e-03  3.7758000000e-03  4.2990000000e-04 -2.4550000000e-03 -2.0900000000e-03 -1.5841000000e-03 -2.6943000000e-03  8.5110000000e-04 -1.1600000000e-05  3.0791000000e-03 -3.8474000000e-03  2.9840000000e-03 -3.5320000000e-04  3.7547000000e-03
-
-JOB 528
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2921000000e-01 -8.7233700000e-01  3.7224200000e-01  8.8786800000e-01  2.4358000000e-01  2.6189800000e-01  1.0901120000e+00 -1.6572430000e+00 -2.4957310000e+00  1.7546770000e+00 -1.5226890000e+00 -3.1713640000e+00  1.1709170000e+00 -8.9367700000e-01 -1.9241820000e+00
-ENERGY -1.526571981871e+02
-FORCES -1.3210000000e-04 -3.0769000000e-03  5.7413000000e-03  1.2168000000e-03  4.8462000000e-03 -1.5053000000e-03 -3.3167000000e-03 -1.9324000000e-03 -4.1935000000e-03  2.1030000000e-04  5.0556000000e-03  5.3010000000e-04 -2.4779000000e-03  1.5740000000e-04  3.2210000000e-03  4.4997000000e-03 -5.0499000000e-03 -3.7936000000e-03
-
-JOB 529
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1090200000e-01  7.9383900000e-01  1.5821000000e-01 -6.3809300000e-01 -6.3532700000e-01 -3.2469800000e-01  2.4030130000e+00  1.6712460000e+00  7.0619800000e-01  2.7856680000e+00  2.5459670000e+00  6.3787000000e-01  1.5871860000e+00  1.8032460000e+00  1.1891410000e+00
-ENERGY -1.526514493998e+02
-FORCES -4.1804000000e-03  4.6520000000e-04 -2.0061000000e-03  3.3365000000e-03 -2.6599000000e-03  1.3196000000e-03  3.2663000000e-03  2.8591000000e-03  1.0725000000e-03 -2.9522000000e-03  1.7323000000e-03  1.7523000000e-03 -2.0167000000e-03 -4.0023000000e-03 -2.7970000000e-04  2.5464000000e-03  1.6056000000e-03 -1.8584000000e-03
-
-JOB 530
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4146700000e-01 -3.9719500000e-01  2.2450200000e-01 -7.9670000000e-02  2.2290500000e-01 -9.2746800000e-01  5.1286400000e-01  5.8169800000e-01 -2.5457280000e+00  3.4838800000e-01 -5.2358000000e-02 -3.2436910000e+00  1.1170100000e-01  1.3924960000e+00 -2.8586300000e+00
-ENERGY -1.526586990928e+02
-FORCES  2.2696000000e-03  2.5783000000e-03 -1.4614200000e-02  2.4265000000e-03  1.3845000000e-03 -3.2127000000e-03 -4.8395000000e-03 -8.1130000000e-04  9.6310000000e-03 -6.0990000000e-04 -1.6910000000e-03  1.8786000000e-03 -1.2400000000e-04  4.0623000000e-03  3.6906000000e-03  8.7730000000e-04 -5.5228000000e-03  2.6267000000e-03
-
-JOB 531
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7487200000e-01 -6.9180000000e-01 -3.2736200000e-01 -5.8406300000e-01  5.9476400000e-01  4.7048600000e-01 -2.0754240000e+00  1.4990620000e+00  9.0434100000e-01 -2.7907410000e+00  9.6168500000e-01  5.6407700000e-01 -2.2918270000e+00  1.6300520000e+00  1.8275110000e+00
-ENERGY -1.526584178871e+02
-FORCES -1.3210900000e-02  7.9231000000e-03  5.0653000000e-03  5.4570000000e-04  2.0925000000e-03  8.4920000000e-04  6.8695000000e-03 -5.8611000000e-03 -2.3804000000e-03  1.6500000000e-05 -4.1918000000e-03 -6.4270000000e-04  4.6881000000e-03  1.6334000000e-03  2.3164000000e-03  1.0911000000e-03 -1.5960000000e-03 -5.2078000000e-03
-
-JOB 532
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6730200000e-01  4.0466900000e-01  1.6168000000e-02  5.1792000000e-01  5.6526200000e-01 -5.7312300000e-01 -5.8072000000e-02  2.4347260000e+00  1.9017160000e+00  1.3476400000e-01  1.5496380000e+00  1.5924170000e+00 -9.9710600000e-01  2.5424850000e+00  1.7506000000e+00
-ENERGY -1.526573066544e+02
-FORCES -1.6103000000e-03  2.9535000000e-03 -6.2920000000e-03  4.8581000000e-03 -2.8430000000e-04  3.1506000000e-03 -2.6566000000e-03 -2.7795000000e-03  4.0931000000e-03 -1.7401000000e-03 -6.7129000000e-03 -1.9193000000e-03 -2.2732000000e-03  7.9615000000e-03  1.8810000000e-03  3.4220000000e-03 -1.1382000000e-03 -9.1350000000e-04
-
-JOB 533
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2058800000e-01 -8.2178900000e-01  2.5298200000e-01 -6.1830400000e-01  4.0972300000e-01 -6.0502800000e-01 -8.3813800000e-01 -2.2864170000e+00  7.0855500000e-01 -1.4658050000e+00 -2.9622550000e+00  4.5260800000e-01 -1.4920000000e-03 -2.7472240000e+00  7.7111100000e-01
-ENERGY -1.526562518047e+02
-FORCES -1.0527200000e-02 -1.9432300000e-02  4.8811000000e-03  6.2876000000e-03  4.1065000000e-03 -1.6870000000e-04  3.8080000000e-04 -2.5527000000e-03  1.6922000000e-03  4.9948000000e-03  1.3327300000e-02 -6.9520000000e-03  4.5427000000e-03  2.0249000000e-03  1.5529000000e-03 -5.6786000000e-03  2.5263000000e-03 -1.0055000000e-03
-
-JOB 534
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6316400000e-01 -6.7070200000e-01 -1.6310800000e-01 -4.5254100000e-01  6.6322200000e-01  5.2112800000e-01  2.1531870000e+00 -1.9055380000e+00  4.3516000000e-02  1.8151090000e+00 -2.2740860000e+00  8.5967100000e-01  1.6584430000e+00 -1.0950020000e+00 -7.6873000000e-02
-ENERGY -1.526603280764e+02
-FORCES -2.9563000000e-03 -3.5330000000e-04  1.2455000000e-03  3.5145000000e-03  3.4815000000e-03  1.9038000000e-03  8.1390000000e-04 -3.9537000000e-03 -2.3854000000e-03 -7.1945000000e-03  7.5260000000e-03  3.4138000000e-03  8.0240000000e-04 -1.1100000000e-05 -2.5397000000e-03  5.0199000000e-03 -6.6894000000e-03 -1.6379000000e-03
-
-JOB 535
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9496000000e-01  8.0625000000e-02 -9.0704500000e-01  3.5501800000e-01  7.7382000000e-01  4.3748900000e-01 -1.9795180000e+00  2.3277750000e+00  1.9615020000e+00 -2.2574450000e+00  1.4787490000e+00  1.6177810000e+00 -2.7604040000e+00  2.8781250000e+00  1.9018120000e+00
-ENERGY -1.526574516160e+02
-FORCES  3.6515000000e-03  4.0260000000e-03 -1.9312000000e-03 -1.1163000000e-03 -3.6360000000e-04  3.5930000000e-03 -1.2811000000e-03 -4.4934000000e-03 -2.5586000000e-03 -4.9196000000e-03 -1.8289000000e-03 -1.6817000000e-03  6.8770000000e-04  4.9282000000e-03  2.4163000000e-03  2.9778000000e-03 -2.2684000000e-03  1.6230000000e-04
-
-JOB 536
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0651800000e-01  9.2528700000e-01 -1.3200500000e-01 -9.4024000000e-02 -9.2016000000e-02  9.4811600000e-01  1.8914860000e+00 -1.7898500000e+00 -1.0425970000e+00  1.2751280000e+00 -1.9683820000e+00 -3.3234300000e-01  2.0956630000e+00 -8.5880900000e-01 -9.5481000000e-01
-ENERGY -1.526539706012e+02
-FORCES  1.0832000000e-03  2.0804000000e-03  5.9390000000e-04  5.6040000000e-04 -5.0471000000e-03  4.6010000000e-04  1.9222000000e-03 -1.4834000000e-03 -5.2267000000e-03 -1.0143300000e-02  9.8020000000e-03  5.4903000000e-03  2.8816000000e-03 -3.9325000000e-03  4.5720000000e-04  3.6958000000e-03 -1.4193000000e-03 -1.7748000000e-03
-
-JOB 537
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7256100000e-01  3.4175000000e-02  9.1693700000e-01 -7.7771300000e-01 -3.0001100000e-01 -4.7052000000e-01 -1.5818310000e+00  3.2632700000e-01  1.9092070000e+00 -1.2307100000e+00  6.9544700000e-01  2.7195750000e+00 -2.4111510000e+00 -7.5471000000e-02  2.1680880000e+00
-ENERGY -1.526510790096e+02
-FORCES -2.0706400000e-02  2.1485000000e-03  1.7070000000e-02  5.6466000000e-03  2.4099000000e-03  4.0530000000e-03  1.8696000000e-03 -3.7380000000e-04 -1.1385000000e-03  9.2214000000e-03 -3.8744000000e-03 -1.2757000000e-02 -2.4940000000e-04 -3.6934000000e-03 -5.9444000000e-03  4.2183000000e-03  3.3832000000e-03 -1.2831000000e-03
-
-JOB 538
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3807500000e-01  8.8005800000e-01 -3.5023700000e-01  1.9450000000e-01 -5.3637600000e-01 -7.6857100000e-01  1.1650600000e+00 -2.7172810000e+00  7.9867700000e-01  1.1393960000e+00 -3.3789180000e+00  1.4899150000e+00  2.5511600000e-01 -2.6320860000e+00  5.1411300000e-01
-ENERGY -1.526538465442e+02
-FORCES  2.4398000000e-03  1.7101000000e-03 -4.4953000000e-03  1.0091000000e-03 -3.6844000000e-03  1.7408000000e-03 -3.3550000000e-03  1.0757000000e-03  3.6306000000e-03 -4.7828000000e-03 -1.9020000000e-04  3.3677000000e-03  1.9790000000e-04  2.7393000000e-03 -2.5995000000e-03  4.4910000000e-03 -1.6505000000e-03 -1.6442000000e-03
-
-JOB 539
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2495500000e-01  5.7876800000e-01 -2.3600800000e-01  5.7217500000e-01  5.4150500000e-01  5.4371000000e-01 -1.1054100000e+00  2.4220700000e+00  4.0941600000e-01 -1.8817800000e+00  2.9703420000e+00  2.9593000000e-01 -3.7899500000e-01  3.0430150000e+00  4.6400400000e-01
-ENERGY -1.526563961027e+02
-FORCES -5.9941000000e-03  1.4693300000e-02  4.3297000000e-03  2.1350000000e-04 -5.7048000000e-03 -2.9302000000e-03  1.5290000000e-03 -1.4774000000e-03 -1.2860000000e-03  3.5144000000e-03 -9.0880000000e-04 -5.7950000000e-04  4.1482000000e-03 -3.0663000000e-03 -7.5000000000e-06 -3.4110000000e-03 -3.5361000000e-03  4.7340000000e-04
-
-JOB 540
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4131500000e-01 -8.0203000000e-02  8.9067600000e-01 -3.1094200000e-01  8.5407900000e-01 -3.0016000000e-01 -9.6764900000e-01  2.5119300000e+00 -3.7643100000e-01 -1.3330780000e+00  3.2925220000e+00  3.9945000000e-02 -2.3516200000e-01  2.8390870000e+00 -8.9860400000e-01
-ENERGY -1.526574761257e+02
-FORCES -8.2668000000e-03  1.2940500000e-02  2.7053000000e-03  1.2467000000e-03 -9.9980000000e-04 -1.7501000000e-03  6.2619000000e-03 -2.6958000000e-03 -4.7581000000e-03  1.9845000000e-03 -2.4000000000e-03  3.1173000000e-03  2.6107000000e-03 -2.5724000000e-03 -2.8572000000e-03 -3.8371000000e-03 -4.2725000000e-03  3.5428000000e-03
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-JOB 541
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2603800000e-01  1.8455600000e-01  7.0017700000e-01  7.7367600000e-01 -3.3626700000e-01  4.5230700000e-01 -1.0886020000e+00  8.4957300000e-01  2.2725150000e+00 -1.1053930000e+00 -3.0408000000e-02  2.6487900000e+00 -1.9707510000e+00  9.7844600000e-01  1.9240380000e+00
-ENERGY -1.526529425661e+02
-FORCES -3.5442000000e-03  7.8425000000e-03  1.8756000000e-02 -4.6645000000e-03 -5.8048000000e-03 -5.4230000000e-03 -2.2373000000e-03 -3.2220000000e-04 -1.2324000000e-03  6.7200000000e-04 -2.6059000000e-03 -3.6293000000e-03  1.8843000000e-03  4.2267000000e-03 -6.5474000000e-03  7.8898000000e-03 -3.3362000000e-03 -1.9238000000e-03
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-JOB 542
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4732800000e-01  6.5328800000e-01  5.3790800000e-01 -3.5144700000e-01  1.3264000000e-01 -8.8041100000e-01 -8.3152500000e-01  2.4311240000e+00  2.1294830000e+00 -1.5334400000e-01  2.8503630000e+00  1.5998210000e+00 -1.6287930000e+00  2.5113810000e+00  1.6058860000e+00
-ENERGY -1.526565327936e+02
-FORCES -3.2786000000e-03  2.8276000000e-03  1.3863000000e-03  1.6383000000e-03 -3.2162000000e-03 -7.1586000000e-03  1.1143000000e-03  4.1600000000e-04  3.9056000000e-03 -3.1070000000e-04  6.2842000000e-03 -8.4800000000e-04 -4.2345000000e-03 -3.5371000000e-03  1.6912000000e-03  5.0712000000e-03 -2.7744000000e-03  1.0233000000e-03
-
-JOB 543
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2919700000e-01  7.7425000000e-02 -2.1640100000e-01 -2.0910800000e-01 -9.1934200000e-01 -1.6527700000e-01 -1.7834680000e+00  1.8205570000e+00  2.9636500000e-01 -1.2243050000e+00  2.5357040000e+00 -7.1690000000e-03 -1.3040130000e+00  1.0255470000e+00  6.3313000000e-02
-ENERGY -1.526549205788e+02
-FORCES -6.8333000000e-03  1.1064000000e-02  9.2310000000e-04 -4.5190000000e-03 -2.1311000000e-03  9.6560000000e-04  8.7300000000e-04  5.8591000000e-03  6.0580000000e-04  1.7706500000e-02 -1.2970700000e-02 -3.3318000000e-03 -9.7070000000e-04 -1.2281000000e-03  8.6850000000e-04 -6.2564000000e-03 -5.9310000000e-04 -3.1200000000e-05
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-JOB 544
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4009000000e-02  7.5090600000e-01 -5.9197600000e-01  8.3754600000e-01 -4.4810800000e-01 -1.1809900000e-01  2.6524440000e+00 -1.1395600000e+00  3.3184700000e-01  3.3555610000e+00 -1.3457680000e+00 -2.8405600000e-01  3.0142660000e+00 -1.3574390000e+00  1.1908260000e+00
-ENERGY -1.526608897272e+02
-FORCES  8.9860000000e-03 -1.5532000000e-03 -6.3630000000e-04  3.1470000000e-04 -2.5253000000e-03  1.5342000000e-03 -8.7339000000e-03  3.4804000000e-03 -2.4233000000e-03  2.2609000000e-03 -9.8930000000e-04  3.0320000000e-03 -2.9883000000e-03  1.2070000000e-03  3.2101000000e-03  1.6070000000e-04  3.8040000000e-04 -4.7167000000e-03
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-JOB 545
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2870200000e-01  9.4826500000e-01 -2.1463000000e-02  6.9732900000e-01 -1.3307200000e-01  6.4207100000e-01  1.5470500000e+00  9.7718000000e-01 -2.1630940000e+00  1.4926100000e+00  3.3366700000e-01 -1.4565820000e+00  2.3058660000e+00  1.5159200000e+00 -1.9390640000e+00
-ENERGY -1.526561920855e+02
-FORCES -7.7510000000e-04  6.6848000000e-03  6.6820000000e-04  1.6115000000e-03 -5.2357000000e-03  1.6623000000e-03 -7.9550000000e-04  1.0879000000e-03 -6.5832000000e-03 -1.9746000000e-03 -5.1744000000e-03  6.1046000000e-03  5.9980000000e-03  4.8723000000e-03 -3.0729000000e-03 -4.0643000000e-03 -2.2350000000e-03  1.2210000000e-03
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-JOB 546
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0786200000e-01 -7.8133500000e-01 -3.7335700000e-01  8.8198800000e-01 -2.8217700000e-01  2.4229200000e-01  2.5811030000e+00 -1.4511860000e+00 -3.7098000000e-02  2.2865740000e+00 -2.3476550000e+00  1.2361200000e-01  3.5357480000e+00 -1.4995390000e+00  1.3356000000e-02
-ENERGY -1.526593586622e+02
-FORCES  7.5161000000e-03 -5.4401000000e-03 -1.7609000000e-03  7.9270000000e-04  1.9017000000e-03  1.6328000000e-03 -8.1813000000e-03  2.5779000000e-03  1.1387000000e-03  3.6283000000e-03 -2.7707000000e-03  1.5480000000e-04  6.3770000000e-04  4.8236000000e-03 -7.9260000000e-04 -4.3935000000e-03 -1.0924000000e-03 -3.7290000000e-04
-
-JOB 547
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7470000000e-02 -8.0804100000e-01  5.0867300000e-01  8.3532700000e-01  4.4467100000e-01  1.4397600000e-01 -2.6554410000e+00 -8.7134400000e-01 -4.6183000000e-01 -2.2859990000e+00 -1.6331520000e+00 -9.0836400000e-01 -1.9087910000e+00 -2.8843800000e-01 -3.2410900000e-01
-ENERGY -1.526595410079e+02
-FORCES  1.7114000000e-03 -3.6780000000e-04  2.0271000000e-03 -9.0830000000e-04  4.1674000000e-03 -3.6452000000e-03 -3.1017000000e-03 -3.5963000000e-03  9.3500000000e-05  9.3618000000e-03  3.4352000000e-03 -2.2729000000e-03 -9.8940000000e-04  1.4212000000e-03  2.6091000000e-03 -6.0737000000e-03 -5.0598000000e-03  1.1885000000e-03
-
-JOB 548
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0890000000e-01 -3.1527500000e-01  7.4689700000e-01  5.2350500000e-01 -2.3866100000e-01 -7.6499300000e-01 -1.8844720000e+00  5.8145400000e-01  1.7438960000e+00 -2.2042850000e+00 -2.9826900000e-01  1.5437980000e+00 -1.3061910000e+00  7.9866400000e-01  1.0127040000e+00
-ENERGY -1.526581919317e+02
-FORCES -2.7150000000e-03  9.9480000000e-04  5.1552000000e-03 -2.4940000000e-03  1.6735000000e-03 -5.0513000000e-03 -1.9522000000e-03 -4.5960000000e-04  5.0050000000e-03  7.0847000000e-03 -4.9363000000e-03 -1.3375000000e-02  4.5360000000e-04  1.5759000000e-03  2.3986000000e-03 -3.7710000000e-04  1.1517000000e-03  5.8675000000e-03
-
-JOB 549
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8387000000e-02 -5.3128800000e-01  7.9474800000e-01  9.2907400000e-01  2.1157900000e-01 -9.1037000000e-02  1.4890780000e+00 -1.2936630000e+00 -2.2801210000e+00  8.3774800000e-01 -1.7740520000e+00 -2.7912250000e+00  1.1553540000e+00 -3.9709600000e-01 -2.2480740000e+00
-ENERGY -1.526544001119e+02
-FORCES  5.5273000000e-03 -5.5194000000e-03  2.1197000000e-03 -2.8120000000e-04  2.6304000000e-03 -2.5511000000e-03 -4.2417000000e-03  1.3732000000e-03 -2.0278000000e-03 -8.7290000000e-03  1.8264000000e-03  7.2570000000e-04  3.1738000000e-03  1.2672000000e-03  1.0822000000e-03  4.5508000000e-03 -1.5778000000e-03  6.5150000000e-04
-
-JOB 550
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4923800000e-01 -8.8442100000e-01  1.0983700000e-01 -4.6488100000e-01 -2.7693000000e-02 -8.3627200000e-01 -8.8202300000e-01 -5.1242500000e-01  2.6031140000e+00 -1.6069960000e+00  1.0206400000e-01  2.4888800000e+00 -7.9140300000e-01 -9.3785400000e-01  1.7504540000e+00
-ENERGY -1.526516006650e+02
-FORCES  1.7696000000e-03 -2.5370000000e-03 -3.3510000000e-04 -6.1817000000e-03  3.4917000000e-03  3.1493000000e-03  1.2368000000e-03  2.3180000000e-04  5.5483000000e-03 -4.1920000000e-04  6.7887000000e-03 -1.2498800000e-02  1.0672000000e-03 -2.3903000000e-03  2.4497000000e-03  2.5274000000e-03 -5.5849000000e-03  1.6865000000e-03
-
-JOB 551
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8466300000e-01 -7.7297800000e-01 -2.8954800000e-01 -4.3980100000e-01  3.1693600000e-01 -7.8889700000e-01  2.2624730000e+00  1.1991840000e+00  6.5082200000e-01  2.6417740000e+00  3.2569400000e-01  7.4766800000e-01  1.3191570000e+00  1.0464240000e+00  5.9558400000e-01
-ENERGY -1.526561592317e+02
-FORCES  9.6687000000e-03  2.1506000000e-03 -3.0482000000e-03 -1.4649000000e-03  4.1853000000e-03  2.0683000000e-03  2.9600000000e-03 -1.6990000000e-03  4.0160000000e-03 -1.6443000000e-02 -1.0240000000e-02 -3.2395000000e-03 -1.1079000000e-03  1.2658000000e-03 -1.3733000000e-03  6.3872000000e-03  4.3373000000e-03  1.5767000000e-03
-
-JOB 552
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5391600000e-01 -1.1909800000e-01 -4.1578300000e-01  5.9548500000e-01  1.9003700000e-01 -7.2492400000e-01  2.3457020000e+00 -3.1630410000e+00 -1.3096480000e+00  2.6584280000e+00 -2.7799660000e+00 -2.1292140000e+00  2.5574250000e+00 -2.5095000000e+00 -6.4309800000e-01
-ENERGY -1.526542330051e+02
-FORCES -2.1489000000e-03 -2.2670000000e-04 -4.9449000000e-03  3.4732000000e-03  1.0598000000e-03  1.7550000000e-03 -1.5663000000e-03 -8.8030000000e-04  3.2059000000e-03  2.0760000000e-03  3.8073000000e-03  4.0630000000e-04 -1.6587000000e-03 -1.1122000000e-03  3.2982000000e-03 -1.7520000000e-04 -2.6479000000e-03 -3.7206000000e-03
-
-JOB 553
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6919300000e-01  6.9198900000e-01  3.3675100000e-01  4.0699200000e-01 -8.1274900000e-01  3.0004600000e-01 -1.4047000000e-02 -2.5045020000e+00  1.6498370000e+00  7.0271000000e-01 -2.6076720000e+00  2.2758140000e+00 -7.2723800000e-01 -3.0296200000e+00  2.0129370000e+00
-ENERGY -1.526578274298e+02
-FORCES  1.9093000000e-03 -4.9695000000e-03  5.0170000000e-03 -1.7209000000e-03 -2.8236000000e-03 -6.6630000000e-04  2.2441000000e-03  7.0396000000e-03 -4.2282000000e-03 -3.5510000000e-03 -2.1688000000e-03  3.7370000000e-03 -2.8689000000e-03  1.4804000000e-03 -3.4433000000e-03  3.9874000000e-03  1.4419000000e-03 -4.1630000000e-04
-
-JOB 554
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0893600000e-01  8.0333700000e-01  4.1885700000e-01  5.3977700000e-01 -8.3690000000e-02 -7.8604600000e-01 -1.9604100000e-01  2.3410220000e+00  1.2515120000e+00  9.4643000000e-02  3.2477510000e+00  1.3493780000e+00 -8.6678300000e-01  2.2299810000e+00  1.9253120000e+00
-ENERGY -1.526590581017e+02
-FORCES  5.0330000000e-04  1.2186100000e-02  4.0690000000e-03  1.3104000000e-03 -7.9389000000e-03 -3.0040000000e-03 -1.1218000000e-03  1.9659000000e-03  2.7277000000e-03 -2.3189000000e-03 -4.5746000000e-03 -9.9390000000e-04 -2.2980000000e-03 -4.0777000000e-03 -1.8770000000e-04  3.9250000000e-03  2.4392000000e-03 -2.6111000000e-03
-
-JOB 555
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2104700000e-01  7.2749600000e-01 -3.5816000000e-02  5.0525400000e-01 -7.2941000000e-01  3.5904200000e-01 -1.1086860000e+00 -1.0546150000e+00 -3.0186590000e+00 -1.1533320000e+00 -1.8739760000e+00 -3.5114930000e+00 -1.7201500000e-01 -8.9457700000e-01 -2.9034720000e+00
-ENERGY -1.526531978581e+02
-FORCES  3.3473000000e-03  8.4800000000e-05  2.9041000000e-03 -2.5990000000e-03 -3.5197000000e-03 -7.7080000000e-04 -1.8634000000e-03  3.0923000000e-03 -2.1748000000e-03  4.0883000000e-03 -1.5272000000e-03  3.9910000000e-04  1.9850000000e-04  3.1849000000e-03  2.4943000000e-03 -3.1718000000e-03 -1.3152000000e-03 -2.8519000000e-03
-
-JOB 556
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0618800000e-01  7.4743100000e-01  5.8847400000e-01 -8.7974300000e-01 -3.2842600000e-01  1.8552700000e-01  8.8572000000e-02 -1.7336900000e+00 -2.2939130000e+00  2.2787500000e-01 -1.0540480000e+00 -1.6344330000e+00  9.6575700000e-01 -2.0652990000e+00 -2.4857820000e+00
-ENERGY -1.526611818627e+02
-FORCES -2.1827000000e-03  1.6284000000e-03  2.0466000000e-03 -1.7629000000e-03 -3.7810000000e-03 -1.3831000000e-03  4.9992000000e-03  2.3596000000e-03 -1.3943000000e-03  4.3382000000e-03  5.0867000000e-03  5.8257000000e-03 -2.8787000000e-03 -6.6178000000e-03 -5.7129000000e-03 -2.5130000000e-03  1.3242000000e-03  6.1800000000e-04
-
-JOB 557
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.8914000000e-02  9.4807500000e-01 -8.7182000000e-02  9.2195400000e-01 -1.2544400000e-01  2.2471400000e-01 -8.5108500000e-01 -6.7167300000e-01 -2.4491350000e+00 -2.3196600000e-01 -1.2646730000e+00 -2.8748990000e+00 -5.1855600000e-01 -5.7805300000e-01 -1.5564470000e+00
-ENERGY -1.526597834657e+02
-FORCES  6.4880000000e-04  2.2111000000e-03 -5.8239000000e-03  1.3698000000e-03 -5.8204000000e-03  2.2680000000e-04 -4.6830000000e-03  1.0165000000e-03 -2.0649000000e-03  6.3838000000e-03  1.5825000000e-03  1.5160500000e-02 -6.4680000000e-04  1.9170000000e-03  2.7133000000e-03 -3.0727000000e-03 -9.0660000000e-04 -1.0211700000e-02
-
-JOB 558
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0839300000e-01 -1.0262200000e-01 -8.5960200000e-01 -3.9812200000e-01 -8.5171200000e-01  1.7976900000e-01  1.4054340000e+00  3.0711000000e-02 -2.5961220000e+00  1.1482810000e+00  9.2084900000e-01 -2.8364500000e+00  1.1133040000e+00 -5.0990000000e-01 -3.3300370000e+00
-ENERGY -1.526612826534e+02
-FORCES  4.3351000000e-03 -3.5479000000e-03 -7.5847000000e-03 -6.5135000000e-03  1.6575000000e-03  8.7339000000e-03  1.2960000000e-03  2.4589000000e-03 -1.2818000000e-03 -6.0310000000e-04  2.0601000000e-03 -5.4742000000e-03  4.7950000000e-04 -5.4851000000e-03  1.7806000000e-03  1.0061000000e-03  2.8564000000e-03  3.8262000000e-03
-
-JOB 559
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9548600000e-01  7.7429100000e-01 -4.7895100000e-01  9.5025700000e-01 -5.1570000000e-03 -1.1496800000e-01  2.3314500000e-01 -5.2882300000e-01 -2.9608210000e+00  2.1437100000e-01 -1.3264000000e+00 -2.4319070000e+00  1.6896100000e-01  1.8297100000e-01 -2.3240630000e+00
-ENERGY -1.526524813725e+02
-FORCES  2.7220000000e-03  3.6189000000e-03 -1.2841000000e-03  2.8956000000e-03 -5.5681000000e-03 -2.6145000000e-03 -5.5926000000e-03 -5.2010000000e-04 -1.4289000000e-03 -2.5617000000e-03 -2.4105000000e-03  9.9489000000e-03  1.7217000000e-03  1.7196000000e-03 -4.2794000000e-03  8.1500000000e-04  3.1602000000e-03 -3.4200000000e-04
-
-JOB 560
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0093200000e-01  1.0927100000e-01 -8.6229100000e-01 -9.3223600000e-01 -1.1842100000e-01 -1.8205800000e-01  1.8193300000e-01  2.2756400000e+00  1.7302260000e+00  8.1745000000e-02  2.9472930000e+00  1.0556320000e+00 -1.6381600000e-01  1.4785750000e+00  1.3285100000e+00
-ENERGY -1.526579355079e+02
-FORCES  1.8193000000e-03  7.8600000000e-04 -4.6200000000e-03 -3.0433000000e-03 -9.5320000000e-04  3.6045000000e-03  4.9431000000e-03  3.4333000000e-03  2.5248000000e-03 -1.9760000000e-04 -7.6045000000e-03 -9.2136000000e-03  3.1070000000e-04 -1.8023000000e-03  1.8900000000e-03 -3.8321000000e-03  6.1408000000e-03  5.8144000000e-03
-
-JOB 561
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0546200000e-01 -8.1584800000e-01  4.5651800000e-01 -2.3028200000e-01 -2.7330700000e-01 -8.8797800000e-01 -2.4315880000e+00  1.3768960000e+00  2.2620100000e-01 -1.6527610000e+00  9.4391000000e-01  5.7574900000e-01 -2.2254150000e+00  1.5344800000e+00 -6.9515200000e-01
-ENERGY -1.526581870910e+02
-FORCES -2.6243000000e-03 -3.2434000000e-03 -3.0458000000e-03 -1.9437000000e-03  4.2395000000e-03 -2.2020000000e-03  5.5110000000e-04  2.2078000000e-03  4.3537000000e-03  1.2957100000e-02 -4.8050000000e-03 -2.3509000000e-03 -7.5632000000e-03  2.6930000000e-03  1.9508000000e-03 -1.3770000000e-03 -1.0919000000e-03  1.2942000000e-03
-
-JOB 562
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0784500000e-01 -9.1171000000e-01  2.0449400000e-01 -8.3204800000e-01  4.6327800000e-01  9.6443000000e-02 -3.0377170000e+00 -1.1914300000e+00 -5.4163900000e-01 -2.8220730000e+00 -1.9567520000e+00 -8.7130000000e-03 -3.9925120000e+00 -1.1345700000e+00 -5.0468100000e-01
-ENERGY -1.526558790855e+02
-FORCES -7.4536000000e-03 -2.2167000000e-03 -6.8620000000e-04  1.8043000000e-03  2.0047000000e-03  3.9150000000e-04  5.4542000000e-03  2.1720000000e-04  1.1445000000e-03 -4.7030000000e-03 -3.9172000000e-03  1.1158000000e-03  5.0980000000e-04  4.1219000000e-03 -1.8825000000e-03  4.3883000000e-03 -2.1000000000e-04 -8.3200000000e-05
-
-JOB 563
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4163000000e-02  3.1916700000e-01  9.0134000000e-01  7.4726000000e-02 -9.5045300000e-01  8.5359000000e-02 -1.5047700000e-01 -1.9828770000e+00 -2.4160410000e+00 -8.5837000000e-02 -2.3025820000e+00 -3.3159540000e+00 -9.1576800000e-01 -2.4314440000e+00 -2.0563890000e+00
-ENERGY -1.526538429617e+02
-FORCES  1.3618000000e-03 -3.7346000000e-03  2.0985000000e-03  5.5400000000e-05 -1.3716000000e-03 -4.1517000000e-03 -1.9316000000e-03  4.0288000000e-03  2.3078000000e-03 -3.2125000000e-03 -1.8946000000e-03 -3.9782000000e-03 -5.4710000000e-04  1.4058000000e-03  3.7685000000e-03  4.2739000000e-03  1.5662000000e-03 -4.4900000000e-05
-
-JOB 564
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3146000000e-01  1.5005000000e-02  7.9596300000e-01  5.9667700000e-01  2.8433900000e-01 -6.9235800000e-01  3.0122050000e+00  3.2063640000e+00 -3.6999000000e-02  2.6986290000e+00  2.5215540000e+00 -6.2771000000e-01  2.4078190000e+00  3.9360240000e+00 -1.7317800000e-01
-ENERGY -1.526536702386e+02
-FORCES  4.5120000000e-03  5.8470000000e-04  1.1672000000e-03 -2.4320000000e-03 -1.9250000000e-04 -3.8000000000e-03 -2.0379000000e-03 -2.2680000000e-04  2.5495000000e-03 -3.6845000000e-03  1.3390000000e-03 -3.1676000000e-03  8.7520000000e-04  1.7034000000e-03  2.7336000000e-03  2.7672000000e-03 -3.2078000000e-03  5.1740000000e-04
-
-JOB 565
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3410200000e-01 -2.4623500000e-01  3.9984300000e-01 -1.8434600000e-01  8.2336100000e-01 -4.5202300000e-01 -6.7852500000e-01  1.6451080000e+00 -2.0836770000e+00 -1.4979780000e+00  1.6734440000e+00 -2.5775650000e+00 -1.9602500000e-01  9.0970300000e-01 -2.4613100000e+00
-ENERGY -1.526592423009e+02
-FORCES -7.6234000000e-03  8.9248000000e-03 -5.9367000000e-03  2.3336000000e-03  4.8980000000e-04 -1.4158000000e-03  5.4110000000e-03 -6.5313000000e-03  2.3009000000e-03 -1.3169000000e-03 -6.5516000000e-03 -1.9070000000e-04  4.0032000000e-03 -1.0272000000e-03  1.5639000000e-03 -2.8075000000e-03  4.6954000000e-03  3.6784000000e-03
-
-JOB 566
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0252700000e-01  2.2670600000e-01 -2.2423300000e-01  5.1810800000e-01  3.1804700000e-01 -7.3935300000e-01  1.0472040000e+00 -2.4042420000e+00  9.5041000000e-02  5.2357700000e-01 -2.6311410000e+00  8.6352200000e-01  7.8530700000e-01 -1.5085230000e+00 -1.1786600000e-01
-ENERGY -1.526552155397e+02
-FORCES  2.3660000000e-04 -8.4617000000e-03 -1.7580000000e-03  5.1864000000e-03 -2.5540000000e-04  1.1511000000e-03 -2.4562000000e-03 -7.0350000000e-03  4.4590000000e-03 -1.1385100000e-02  1.7582000000e-02  3.6708000000e-03  1.0943000000e-03 -1.0547000000e-03 -1.6999000000e-03  7.3241000000e-03 -7.7530000000e-04 -5.8230000000e-03
-
-JOB 567
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6515100000e-01 -6.8684000000e-01 -4.5340000000e-02  8.3095700000e-01 -4.6331600000e-01 -1.0526100000e-01  1.8345250000e+00  1.8480100000e-01 -2.7740880000e+00  2.5203620000e+00  1.4127300000e-01 -2.1077810000e+00  2.3041630000e+00  3.5127000000e-01 -3.5913760000e+00
-ENERGY -1.526525782017e+02
-FORCES  5.0670000000e-04 -4.9050000000e-03 -3.5600000000e-03  2.3349000000e-03  2.7735000000e-03  9.2710000000e-04 -1.6855000000e-03  2.1370000000e-03  1.8272000000e-03  4.7671000000e-03  1.9503000000e-03 -1.0100000000e-03 -3.5440000000e-03 -1.3035000000e-03 -1.7133000000e-03 -2.3792000000e-03 -6.5230000000e-04  3.5289000000e-03
-
-JOB 568
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7857600000e-01 -5.3036000000e-02 -5.5429100000e-01  1.2437600000e-01 -8.9168700000e-01  3.2504900000e-01  3.0700080000e+00 -3.0207900000e-01  1.6361310000e+00  3.2513720000e+00 -3.8610200000e-01  2.5722280000e+00  3.7833870000e+00  2.4124600000e-01  1.3012880000e+00
-ENERGY -1.526542660084e+02
-FORCES -1.1512000000e-03 -4.6166000000e-03  3.1300000000e-05  3.3989000000e-03  4.5510000000e-04  2.2630000000e-03 -2.6288000000e-03  3.2978000000e-03 -2.0309000000e-03  3.6507000000e-03  3.4482000000e-03  1.8145000000e-03 -9.5760000000e-04 -1.4800000000e-05 -3.8865000000e-03 -2.3121000000e-03 -2.5696000000e-03  1.8086000000e-03
-
-JOB 569
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1624000000e-01  3.2594200000e-01 -5.4497100000e-01 -4.5327600000e-01 -6.3533000000e-01 -5.5419300000e-01  2.0184000000e-02  1.7145010000e+00  1.9874400000e+00  1.7746200000e-01  2.6277900000e+00  1.7478600000e+00  3.9196000000e-02  1.2414630000e+00  1.1555110000e+00
-ENERGY -1.526559549720e+02
-FORCES -2.5686000000e-03  3.1989000000e-03  5.1126000000e-03 -5.2239000000e-03  8.9890000000e-04  4.6064000000e-03  4.3337000000e-03  2.7462000000e-03  1.1778000000e-03 -2.6538000000e-03 -9.4438000000e-03 -1.0685400000e-02  1.1480000000e-04 -4.1110000000e-03 -1.7165000000e-03  5.9978000000e-03  6.7107000000e-03  1.5051000000e-03
-
-JOB 570
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1313300000e-01 -9.0386400000e-01 -3.4766000000e-02 -2.1652000000e-02  2.8182300000e-01 -9.1451600000e-01 -2.8745000000e-02 -4.2395900000e-01 -2.9521400000e+00 -8.6210000000e-03 -1.2050910000e+00 -3.5050050000e+00  4.7773000000e-02  3.0653100000e-01 -3.5659480000e+00
-ENERGY -1.526589693259e+02
-FORCES  8.8570000000e-04 -4.6047000000e-03 -9.8956000000e-03 -7.7000000000e-04  1.9895000000e-03  2.1968000000e-03  1.5370000000e-04  4.0733000000e-03  6.1556000000e-03 -6.5700000000e-05 -2.0404000000e-03 -3.7641000000e-03  1.9980000000e-04  3.8735000000e-03  1.7090000000e-03 -4.0350000000e-04 -3.2912000000e-03  3.5983000000e-03
-
-JOB 571
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4452300000e-01 -1.1568000000e-02 -9.4615600000e-01  8.4029000000e-01  2.7362600000e-01  3.6779500000e-01  2.4195090000e+00  9.4143400000e-01  4.0087600000e-01  2.1713240000e+00  9.1421800000e-01  1.3249410000e+00  2.4847380000e+00  1.8744540000e+00  1.9728200000e-01
-ENERGY -1.526524505428e+02
-FORCES  2.0694100000e-02  6.7989000000e-03 -3.1594000000e-03 -2.0941000000e-03  1.7750000000e-04  1.5204000000e-03 -2.5857000000e-03 -4.7090000000e-04  1.1132000000e-02 -9.7862000000e-03  1.6544000000e-03 -1.2388000000e-03 -6.0628000000e-03 -2.8418000000e-03 -9.4961000000e-03 -1.6530000000e-04 -5.3180000000e-03  1.2418000000e-03
-
-JOB 572
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2964500000e-01  2.2202500000e-01  7.6577600000e-01 -4.9242000000e-01  3.5056400000e-01 -7.4219900000e-01 -1.6407480000e+00  7.4665900000e-01  1.7243110000e+00 -1.3528600000e+00  1.1043600000e-01  2.3789650000e+00 -2.4361180000e+00  3.6531000000e-01  1.3525710000e+00
-ENERGY -1.526496018431e+02
-FORCES -2.1643500000e-02  1.3752100000e-02  1.9749700000e-02  3.4267000000e-03 -8.6620000000e-03  2.2619000000e-03 -2.1580000000e-04 -1.4336000000e-03  1.7970000000e-03  9.9977000000e-03 -8.2939000000e-03 -1.4701700000e-02  2.1292000000e-03  2.8475000000e-03 -9.7967000000e-03  6.3057000000e-03  1.7899000000e-03  6.8970000000e-04
-
-JOB 573
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2766800000e-01  6.2411200000e-01 -3.6434600000e-01  1.4474800000e-01 -8.0444700000e-01 -4.9814100000e-01  1.5207700000e+00 -1.4642790000e+00  2.1194390000e+00  2.4253430000e+00 -1.2160420000e+00  1.9287640000e+00  9.9169400000e-01 -8.7302400000e-01  1.5839680000e+00
-ENERGY -1.526600211390e+02
-FORCES  9.8700000000e-04 -1.7950000000e-04 -6.5252000000e-03 -2.0899000000e-03 -4.0661000000e-03  2.8610000000e-03  5.6690000000e-04  4.6362000000e-03  4.1729000000e-03 -2.6997000000e-03  6.8779000000e-03 -5.1641000000e-03 -3.2125000000e-03 -6.2830000000e-04 -2.7060000000e-04  6.4482000000e-03 -6.6401000000e-03  4.9260000000e-03
-
-JOB 574
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2469500000e-01  7.6304400000e-01  3.9195700000e-01 -3.8783400000e-01 -4.6575700000e-01  7.4086900000e-01  5.1670300000e-01 -1.6486550000e+00 -2.3307150000e+00  4.8888000000e-01 -2.6012860000e+00 -2.2415400000e+00  1.7768900000e-01 -1.3196840000e+00 -1.4982010000e+00
-ENERGY -1.526592367264e+02
-FORCES  2.7446000000e-03  3.5022000000e-03  2.3212000000e-03 -3.0193000000e-03 -3.4306000000e-03  1.0990000000e-04  2.3126000000e-03  1.0267000000e-03 -4.5470000000e-03 -1.3271000000e-03  3.2432000000e-03  7.1223000000e-03 -3.1320000000e-04  3.5258000000e-03  1.0340000000e-03 -3.9760000000e-04 -7.8674000000e-03 -6.0404000000e-03
-
-JOB 575
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5011200000e-01 -9.2376000000e-01 -1.8513000000e-02 -3.1798300000e-01  3.1783400000e-01  8.4504400000e-01 -5.7423600000e-01  2.2383070000e+00  1.9656650000e+00 -1.4720410000e+00  2.2737600000e+00  2.2956980000e+00 -1.0960900000e-01  1.6844840000e+00  2.5930670000e+00
-ENERGY -1.526556297305e+02
-FORCES -2.9788000000e-03  2.3129000000e-03  3.7613000000e-03  4.6940000000e-04  4.2267000000e-03  1.0844000000e-03  2.8719000000e-03 -7.5358000000e-03 -1.8354000000e-03 -1.4345000000e-03  2.6300000000e-03  4.7900000000e-03  4.6369000000e-03 -1.3192000000e-03 -1.8941000000e-03 -3.5650000000e-03 -3.1450000000e-04 -5.9061000000e-03
-
-JOB 576
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6936600000e-01  4.9660100000e-01  2.7874000000e-01 -1.2209700000e-01 -8.6782200000e-01  3.8497800000e-01  1.4986160000e+00  1.3023000000e+00 -2.2559710000e+00  2.0418940000e+00  9.7342700000e-01 -1.5397840000e+00  1.9354170000e+00  2.1055510000e+00 -2.5392110000e+00
-ENERGY -1.526543796340e+02
-FORCES -5.2871000000e-03  1.1760000000e-04  9.0360000000e-04  3.0452000000e-03 -2.6200000000e-03 -1.5050000000e-04  1.1738000000e-03  3.7952000000e-03 -1.9830000000e-03  2.7755000000e-03 -6.4220000000e-04  4.6082000000e-03  8.1920000000e-04  2.3870000000e-03 -5.0187000000e-03 -2.5267000000e-03 -3.0376000000e-03  1.6406000000e-03
-
-JOB 577
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3608900000e-01  5.3378000000e-02 -9.4597200000e-01 -9.5023000000e-01 -5.1360000000e-02  1.0323600000e-01 -2.7407780000e+00  7.5195900000e-01  2.4154200000e-01 -3.3360670000e+00  1.5561000000e-01  6.9566800000e-01 -2.6325210000e+00  1.4878700000e+00  8.4399200000e-01
-ENERGY -1.526609881119e+02
-FORCES -1.1234700000e-02  2.5825000000e-03 -2.8544000000e-03 -2.2740000000e-04 -1.5670000000e-04  2.8176000000e-03  9.1083000000e-03 -3.9915000000e-03  9.8290000000e-04 -7.6830000000e-04  3.5154000000e-03  3.7587000000e-03  4.5588000000e-03  2.4927000000e-03 -1.9841000000e-03 -1.4366000000e-03 -4.4424000000e-03 -2.7208000000e-03
-
-JOB 578
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4730200000e-01  2.9857100000e-01  7.9183900000e-01 -4.0495300000e-01 -8.4377900000e-01 -2.0070200000e-01 -1.2043120000e+00 -2.4073250000e+00  6.1714700000e-01 -9.4892400000e-01 -3.1355140000e+00  5.0800000000e-02 -1.2226410000e+00 -2.7829020000e+00  1.4973950000e+00
-ENERGY -1.526574027218e+02
-FORCES -8.3783000000e-03 -1.1314900000e-02  6.6326000000e-03  2.0730000000e-03  1.1593000000e-03 -1.3874000000e-03  3.2225000000e-03  3.0943000000e-03 -6.1615000000e-03  4.0405000000e-03  1.2658000000e-03  2.9203000000e-03 -4.4000000000e-04  5.0144000000e-03  2.3485000000e-03 -5.1780000000e-04  7.8100000000e-04 -4.3525000000e-03
-
-JOB 579
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6531800000e-01 -6.0758500000e-01 -7.2093200000e-01  9.3779400000e-01 -8.2494000000e-02  1.7311500000e-01 -2.9787470000e+00 -2.1378500000e+00 -6.8675900000e-01 -2.9441530000e+00 -1.7876160000e+00  2.0339300000e-01 -2.8885990000e+00 -1.3696090000e+00 -1.2505940000e+00
-ENERGY -1.526562176911e+02
-FORCES  4.2626000000e-03 -3.3210000000e-03 -2.0732000000e-03  1.8400000000e-04  3.8981000000e-03  2.7396000000e-03 -3.8234000000e-03  3.4310000000e-04 -7.8370000000e-04 -8.3850000000e-04  5.1211000000e-03  2.6119000000e-03 -7.1790000000e-04 -2.2823000000e-03 -4.1554000000e-03  9.3330000000e-04 -3.7590000000e-03  1.6607000000e-03
-
-JOB 580
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1934900000e-01  8.6970800000e-01 -3.8157100000e-01  2.9083100000e-01  1.6895700000e-01  8.9616000000e-01 -1.4069030000e+00 -2.2600940000e+00  8.4697200000e-01 -9.8456300000e-01 -1.4960570000e+00  4.5440600000e-01 -2.0342290000e+00 -2.5534900000e+00  1.8620600000e-01
-ENERGY -1.526607687405e+02
-FORCES -1.4718000000e-03  2.1815000000e-03  1.8823000000e-03  1.6554000000e-03 -3.4406000000e-03  2.6057000000e-03 -2.9994000000e-03 -1.5448000000e-03 -5.2709000000e-03  3.4587000000e-03  8.4381000000e-03 -7.3128000000e-03 -2.4095000000e-03 -6.9950000000e-03  6.5432000000e-03  1.7666000000e-03  1.3608000000e-03  1.5525000000e-03
-
-JOB 581
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0176300000e-01  7.3077000000e-01 -1.4173300000e-01 -4.8952200000e-01 -6.1054400000e-01  5.5121400000e-01 -4.0598000000e-01 -1.3587400000e+00  2.1299180000e+00  4.4925000000e-01 -1.7872110000e+00  2.0948970000e+00 -1.0331780000e+00 -2.0601330000e+00  1.9541240000e+00
-ENERGY -1.526539130190e+02
-FORCES -4.5886000000e-03 -8.3338000000e-03  1.8276500000e-02  6.0730000000e-04 -3.4144000000e-03  2.0484000000e-03 -1.4159000000e-03 -6.5630000000e-04 -9.0019000000e-03  7.8294000000e-03  4.3163000000e-03 -7.1193000000e-03 -5.9850000000e-03  1.2011000000e-03 -1.2750000000e-04  3.5529000000e-03  6.8871000000e-03 -4.0762000000e-03
-
-JOB 582
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8836100000e-01  7.5501100000e-01  4.5520000000e-03  7.9552000000e-02 -2.4781500000e-01  9.2113600000e-01  1.4506680000e+00  2.3147490000e+00 -9.9456900000e-01  9.7327600000e-01  2.6942620000e+00 -2.5680300000e-01  2.2956200000e+00  2.7644950000e+00 -9.9053900000e-01
-ENERGY -1.526492668624e+02
-FORCES  1.8700000000e-05  4.1956000000e-03  1.0484000000e-03  2.3083000000e-03 -1.9203000000e-03  1.3313000000e-03  3.2260000000e-04  1.7201000000e-03 -3.9033000000e-03  1.0115000000e-03  2.5090000000e-04  4.4243000000e-03 -1.6770000000e-04 -1.5222000000e-03 -3.1310000000e-03 -3.4933000000e-03 -2.7241000000e-03  2.3030000000e-04
-
-JOB 583
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9952200000e-01  7.2110700000e-01  3.8303200000e-01 -4.5946500000e-01 -3.9413200000e-01  7.4147400000e-01 -1.6247010000e+00 -2.2049300000e-01  1.9841210000e+00 -2.5492390000e+00 -4.6529600000e-01  2.0232660000e+00 -1.5428480000e+00  5.0729900000e-01  2.6004410000e+00
-ENERGY -1.526547583074e+02
-FORCES -1.2634600000e-02  7.3900000000e-05  1.6672300000e-02 -1.6568000000e-03 -1.3868000000e-03 -2.5840000000e-04  4.5688000000e-03 -1.3909000000e-03 -3.3594000000e-03  6.3851000000e-03  3.8450000000e-03 -1.1073300000e-02  4.3378000000e-03  2.3718000000e-03  8.6460000000e-04 -1.0003000000e-03 -3.5130000000e-03 -2.8458000000e-03
-
-JOB 584
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3479000000e-01  8.7476400000e-01  3.0966700000e-01  3.7301900000e-01  1.4530900000e-01 -8.6946800000e-01 -7.8801700000e-01  2.3172990000e+00  8.8686900000e-01 -1.6846620000e+00  2.0878050000e+00  6.4275400000e-01 -8.3829000000e-01  2.5213400000e+00  1.8207170000e+00
-ENERGY -1.526579596189e+02
-FORCES -2.3530000000e-03  1.8711100000e-02  6.7964000000e-03 -3.6911000000e-03 -8.2416000000e-03 -5.5199000000e-03 -1.9713000000e-03  1.3391000000e-03  2.6033000000e-03  1.8196000000e-03 -9.4006000000e-03  2.9830000000e-04  7.5082000000e-03 -1.4251000000e-03  1.0789000000e-03 -1.3123000000e-03 -9.8290000000e-04 -5.2570000000e-03
-
-JOB 585
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3448200000e-01 -7.8435000000e-01 -5.3192200000e-01  3.1416900000e-01 -2.4374100000e-01  8.7070100000e-01  1.4560300000e-01 -1.2759230000e+00 -2.3111420000e+00  1.0138450000e+00 -9.1300300000e-01 -2.4862910000e+00 -4.6218200000e-01 -6.1123800000e-01 -2.6352130000e+00
-ENERGY -1.526594559796e+02
-FORCES -1.7640000000e-04 -8.6731000000e-03 -1.0417900000e-02  1.6666000000e-03  6.1998000000e-03  8.5836000000e-03  4.7000000000e-05 -1.5277000000e-03 -4.8402000000e-03 -7.8700000000e-04  1.0039500000e-02  2.6441000000e-03 -4.3066000000e-03 -2.1434000000e-03  2.8133000000e-03  3.5565000000e-03 -3.8952000000e-03  1.2171000000e-03
-
-JOB 586
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4186900000e-01  1.6264700000e-01  5.1574000000e-02 -2.3183100000e-01  2.1651500000e-01 -9.0311000000e-01 -1.2868250000e+00  2.1715960000e+00  1.0746060000e+00 -7.4912700000e-01  1.4609370000e+00  7.2521100000e-01 -2.0255500000e+00  2.2336160000e+00  4.6907300000e-01
-ENERGY -1.526584328943e+02
-FORCES  1.3104000000e-03  2.2119000000e-03 -2.0490000000e-03 -6.2945000000e-03  6.7770000000e-04 -1.0800000000e-04  6.3600000000e-05  1.3670000000e-03  6.6179000000e-03  4.9610000000e-03 -1.3806100000e-02 -5.9948000000e-03 -2.9470000000e-03  1.0345700000e-02  9.4380000000e-04  2.9064000000e-03 -7.9630000000e-04  5.9020000000e-04
-
-JOB 587
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3962100000e-01  7.0335600000e-01 -1.1138400000e-01  8.4281700000e-01  4.4957400000e-01  6.1434000000e-02 -1.6033550000e+00  1.9580900000e-01  2.9208830000e+00 -7.3140300000e-01  1.1524600000e-01  2.5343060000e+00 -1.4397060000e+00  3.8278400000e-01  3.8452700000e+00
-ENERGY -1.526574249379e+02
-FORCES -2.7210000000e-04  4.6854000000e-03 -4.0587000000e-03  4.1200000000e-03 -3.1803000000e-03  7.9750000000e-04 -4.0230000000e-03 -2.1217000000e-03  1.3360000000e-03  4.5601000000e-03 -1.3566000000e-03  7.2090000000e-04 -4.2756000000e-03  2.6366000000e-03  5.1257000000e-03 -1.0950000000e-04 -6.6350000000e-04 -3.9214000000e-03
-
-JOB 588
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6525900000e-01 -1.9181000000e-01 -7.4828000000e-01  5.9382700000e-01  3.4355800000e-01  6.6750900000e-01 -1.0401130000e+00  2.6218240000e+00 -1.6556900000e+00 -8.4794300000e-01  3.5274850000e+00 -1.8987550000e+00 -3.5641200000e-01  2.1078050000e+00 -2.0853060000e+00
-ENERGY -1.526517303866e+02
-FORCES  3.8615000000e-03  1.6697000000e-03  8.9540000000e-04 -2.7294000000e-03  2.0716000000e-03  1.9518000000e-03 -2.0932000000e-03 -1.9714000000e-03 -2.8224000000e-03  3.5165000000e-03 -2.2370000000e-04 -2.1269000000e-03 -6.2110000000e-04 -4.0118000000e-03  1.7404000000e-03 -1.9343000000e-03  2.4656000000e-03  3.6180000000e-04
-
-JOB 589
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9602200000e-01 -8.6676900000e-01  9.0059000000e-02  7.4128900000e-01 -1.3500200000e-01 -5.9033700000e-01  6.6106400000e-01  3.0548100000e+00  8.0123500000e-01  1.2863640000e+00  2.3603220000e+00  1.0084030000e+00 -1.9684500000e-01  2.6586770000e+00  9.5388700000e-01
-ENERGY -1.526574614073e+02
-FORCES  1.2140000000e-03 -4.5623000000e-03 -3.5832000000e-03  1.7464000000e-03  3.9585000000e-03 -5.1650000000e-04 -2.8092000000e-03  1.3330000000e-04  3.4865000000e-03 -2.6316000000e-03 -8.0350000000e-03  7.7400000000e-04  2.6200000000e-05  3.9563000000e-03 -8.4810000000e-04  2.4543000000e-03  4.5492000000e-03  6.8730000000e-04
-
-JOB 590
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2740900000e-01 -3.7814100000e-01  8.4942700000e-01  9.5561300000e-01 -4.3406000000e-02 -3.3922000000e-02 -1.6867310000e+00  4.4838600000e-01  2.4393370000e+00 -1.6343540000e+00 -7.9571000000e-02  3.2360490000e+00 -1.1111460000e+00  1.1944630000e+00  2.6075700000e+00
-ENERGY -1.526573028291e+02
-FORCES -1.4783000000e-03 -2.0673000000e-03  5.2166000000e-03  6.2308000000e-03 -2.5460000000e-04 -5.6523000000e-03 -3.9616000000e-03  6.9450000000e-04  1.4381000000e-03  3.2200000000e-05  4.7381000000e-03  3.8824000000e-03  1.2211000000e-03  1.7101000000e-03 -4.9463000000e-03 -2.0442000000e-03 -4.8208000000e-03  6.1400000000e-05
-
-JOB 591
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8954500000e-01  5.1062100000e-01  1.7921200000e-01  2.3704300000e-01 -3.8021800000e-01  8.4585900000e-01  2.5696690000e+00 -7.9323700000e-01  1.7416510000e+00  2.7826920000e+00 -1.2877470000e+00  2.5330500000e+00  2.0033340000e+00 -8.4421000000e-02  2.0467350000e+00
-ENERGY -1.526536169797e+02
-FORCES -1.4497000000e-03 -1.8372000000e-03  2.8768000000e-03  3.9958000000e-03 -2.1048000000e-03 -1.4890000000e-04 -2.0020000000e-03  5.1925000000e-03 -1.4247000000e-03  1.7603000000e-03  1.8403000000e-03  4.4570000000e-03 -1.3916000000e-03  2.3696000000e-03 -3.8468000000e-03 -9.1270000000e-04 -5.4606000000e-03 -1.9133000000e-03
-
-JOB 592
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2466800000e-01  7.6876600000e-01  4.6885100000e-01  7.3816000000e-01 -6.0938300000e-01 -1.9180000000e-03 -2.3303340000e+00 -1.8131240000e+00  1.7509200000e-01 -2.0488220000e+00 -1.3251590000e+00 -5.9877600000e-01 -2.0840470000e+00 -1.2555390000e+00  9.1311200000e-01
-ENERGY -1.526583931434e+02
-FORCES  4.5330000000e-03 -8.1290000000e-04  1.0646000000e-03 -1.8493000000e-03 -4.0956000000e-03 -1.2835000000e-03 -3.0868000000e-03  3.5613000000e-03 -2.2000000000e-06  7.1905000000e-03  8.8071000000e-03 -4.5790000000e-04 -3.3358000000e-03 -4.0806000000e-03  2.8500000000e-04 -3.4517000000e-03 -3.3792000000e-03  3.9400000000e-04
-
-JOB 593
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3197000000e-02  3.1835000000e-01 -9.0209900000e-01  4.7881000000e-02 -9.5237400000e-01 -8.3208000000e-02  2.4470860000e+00  5.0974700000e-01  6.9122400000e-01  2.9536550000e+00 -1.9844300000e-01  2.9362300000e-01  1.5656230000e+00  4.0463100000e-01  3.3316500000e-01
-ENERGY -1.526550377389e+02
-FORCES  8.5912000000e-03 -1.5369000000e-03  1.7371000000e-03  4.4158000000e-03 -2.0867000000e-03  6.4141000000e-03  2.0900000000e-03  6.2201000000e-03 -5.4580000000e-04 -2.1163600000e-02 -4.9178000000e-03 -5.5796000000e-03 -3.8290000000e-03  1.0246000000e-03  3.2770000000e-04  9.8956000000e-03  1.2967000000e-03 -2.3535000000e-03
-
-JOB 594
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1873800000e-01 -2.1489600000e-01 -5.9453100000e-01  7.8100100000e-01 -3.4416200000e-01 -4.3338400000e-01  2.2698070000e+00 -5.8512500000e-01 -1.0301680000e+00  2.2344000000e+00  1.3883100000e-01 -1.6553610000e+00  2.2531360000e+00 -1.3727580000e+00 -1.5738490000e+00
-ENERGY -1.526553798973e+02
-FORCES  2.0295900000e-02 -7.2083000000e-03 -8.2552000000e-03  4.7728000000e-03 -2.5500000000e-04 -2.6960000000e-04 -9.8944000000e-03  3.9977000000e-03 -7.7950000000e-04 -9.3236000000e-03  3.5946000000e-03  2.1704000000e-03 -3.0323000000e-03 -5.6704000000e-03  4.0467000000e-03 -2.8184000000e-03  5.5414000000e-03  3.0873000000e-03
-
-JOB 595
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0699300000e-01  9.3348900000e-01  4.4541000000e-02 -9.0634000000e-02 -3.0918700000e-01  9.0134400000e-01  2.3917720000e+00 -9.4043300000e-01  8.1106000000e-02  1.6783380000e+00 -3.0231700000e-01  7.3889000000e-02  3.1669790000e+00 -4.3104600000e-01  3.1735000000e-01
-ENERGY -1.526560029220e+02
-FORCES  5.1153000000e-03 -4.3045000000e-03  2.7441000000e-03  3.9900000000e-03 -5.3116000000e-03  5.6020000000e-04  3.8305000000e-03  3.6225000000e-03 -5.7477000000e-03 -1.6352900000e-02  7.7200000000e-03 -3.2737000000e-03  8.6494000000e-03 -2.5465000000e-03  6.3134000000e-03 -5.2323000000e-03  8.2010000000e-04 -5.9640000000e-04
-
-JOB 596
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0913100000e-01  3.4765000000e-02  2.9749700000e-01  4.3831600000e-01  6.9875500000e-01  4.8564700000e-01 -2.2794870000e+00 -9.0406300000e-01 -1.6574520000e+00 -2.6161850000e+00 -6.5845300000e-01 -7.9574400000e-01 -2.2653350000e+00 -1.8610870000e+00 -1.6457270000e+00
-ENERGY -1.526493813396e+02
-FORCES -3.5722000000e-03  2.4187000000e-03  5.0420000000e-04  8.5340000000e-04 -9.6830000000e-04  5.3910000000e-04 -2.3008000000e-03 -3.0983000000e-03 -2.8897000000e-03  1.4911000000e-03 -3.4077000000e-03  3.1991000000e-03  4.1977000000e-03  8.0970000000e-04 -1.1633000000e-03 -6.6910000000e-04  4.2460000000e-03 -1.8940000000e-04
-
-JOB 597
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8187000000e-01  2.3665900000e-01  2.8727900000e-01  8.6537000000e-02 -8.9512000000e-01 -3.2787800000e-01 -1.6569220000e+00  2.3178510000e+00 -3.4221200000e-01 -7.1000600000e-01  2.1790540000e+00 -3.2439700000e-01 -1.9854220000e+00  1.6539560000e+00 -9.4848100000e-01
-ENERGY -1.526549687088e+02
-FORCES  2.0859000000e-03 -2.1909000000e-03  9.4840000000e-04 -4.8717000000e-03  6.5410000000e-04 -2.2988000000e-03 -8.9240000000e-04  4.4022000000e-03  1.4565000000e-03  5.8154000000e-03 -1.1597500000e-02 -9.3140000000e-04 -4.5560000000e-04  5.1082000000e-03  5.0190000000e-04 -1.6817000000e-03  3.6239000000e-03  3.2340000000e-04
-
-JOB 598
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0269100000e-01 -7.7998100000e-01  5.4526800000e-01  7.3574800000e-01 -2.0555500000e-01 -5.7676200000e-01  1.4709250000e+00 -9.6296900000e-01 -2.3675320000e+00  1.5513090000e+00 -6.9640700000e-01 -3.2833450000e+00  2.3736150000e+00 -1.0219810000e+00 -2.0546430000e+00
-ENERGY -1.526580865799e+02
-FORCES  3.1702000000e-03 -5.5173000000e-03 -6.5464000000e-03  8.2450000000e-04  2.5898000000e-03 -1.6605000000e-03 -2.2390000000e-04  2.2879000000e-03  8.7173000000e-03  1.4412000000e-03  1.2068000000e-03 -5.3709000000e-03  8.0200000000e-04 -2.1382000000e-03  4.0491000000e-03 -6.0139000000e-03  1.5710000000e-03  8.1140000000e-04
-
-JOB 599
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4371000000e-01  3.2305000000e-02 -9.2509100000e-01 -1.4004300000e-01  8.9248300000e-01  3.1637700000e-01  1.5218950000e+00 -1.8174300000e-01 -2.7531140000e+00  1.6346370000e+00 -5.9595600000e-01 -1.8975740000e+00  2.2727550000e+00 -4.8136100000e-01 -3.2656270000e+00
-ENERGY -1.526590582268e+02
-FORCES -2.9076000000e-03  5.6704000000e-03 -2.7024000000e-03  2.8129000000e-03 -1.8711000000e-03  5.6687000000e-03  8.6300000000e-05 -3.6784000000e-03 -8.8570000000e-04  4.6383000000e-03 -2.7748000000e-03  1.7097000000e-03 -2.1329000000e-03  1.5401000000e-03 -6.4683000000e-03 -2.4969000000e-03  1.1138000000e-03  2.6781000000e-03
-
diff --git a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/water.pdb b/studies/028_smirnoff_tip4p_geometry_fit/targets/water/water.pdb
deleted file mode 100644
index 84470eab0..000000000
--- a/studies/028_smirnoff_tip4p_geometry_fit/targets/water/water.pdb
+++ /dev/null
@@ -1,9 +0,0 @@
-ATOM      1  O1  HOH 1   1       0.352  -0.079  -1.180                          
-ATOM      2  H2  HOH 1   1       0.136  -1.005  -1.286                          
-ATOM      3  H3  HOH 1   1      -0.231   0.374  -1.790                          
-ATOM      4  O4  HOH 1   2      -0.250   0.123   1.273                          
-ATOM      5  H5  HOH 1   2      -0.161  -0.068   0.340                          
-ATOM      6  H6  HOH 1   2      -1.193   0.089   1.436                          
-ENDMDL
-CONECT    1    2    3
-CONECT    4    5    6
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/targets.tar.gz b/studies/029_smirnoff_vs_openmm_water_vsite/targets.tar.gz
new file mode 100644
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diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/all.gro b/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/all.gro
deleted file mode 100644
index 60a2eab1c..000000000
--- a/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/all.gro
+++ /dev/null
@@ -1,64800 +0,0 @@
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-    6
-    0SOL     O1    1  -0.125192   0.029806   0.012408
-    0SOL     H2    2  -0.177747  -0.031722   0.063541
-    0SOL     H3    3  -0.163861   0.115423   0.030760
-    1SOL     O4    4   0.134130  -0.026605  -0.012940
-    1SOL     H5    5   0.159299  -0.099805  -0.069248
-    1SOL     H6    6   0.038505  -0.030045  -0.010415
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094081  -0.001291   0.101499
-    0SOL     H2    2   0.186245   0.003379   0.076076
-    0SOL     H3    3   0.046356  -0.002935   0.018541
-    1SOL     O4    4  -0.092695  -0.004273  -0.094399
-    1SOL     H5    5  -0.173939   0.020776  -0.050418
-    1SOL     H6    6  -0.077023   0.065865  -0.157624
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021701   0.062227  -0.111529
-    0SOL     H2    2  -0.099030   0.060994  -0.167931
-    0SOL     H3    3   0.020301   0.146183  -0.130222
-    1SOL     O4    4   0.020956  -0.068017   0.122217
-    1SOL     H5    5  -0.012498  -0.021728   0.045402
-    1SOL     H6    6   0.105152  -0.103710   0.093944
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047375   0.092287  -0.078869
-    0SOL     H2    2  -0.028777   0.117155  -0.131261
-    0SOL     H3    3   0.122081   0.128817  -0.126271
-    1SOL     O4    4  -0.046888  -0.102476   0.083546
-    1SOL     H5    5  -0.087999  -0.054690   0.155578
-    1SOL     H6    6  -0.011123  -0.034208   0.026778
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034309   0.055463   0.125268
-    0SOL     H2    2   0.092538  -0.013034   0.158128
-    0SOL     H3    3  -0.001949   0.019367   0.044367
-    1SOL     O4    4  -0.038574  -0.047688  -0.116509
-    1SOL     H5    5  -0.001940  -0.129924  -0.149029
-    1SOL     H6    6  -0.023381   0.014986  -0.187244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033204  -0.042317   0.121670
-    0SOL     H2    2   0.030110  -0.137906   0.117727
-    0SOL     H3    3  -0.038315  -0.018402   0.180621
-    1SOL     O4    4  -0.023709   0.047890  -0.128301
-    1SOL     H5    5  -0.029813   0.017836  -0.037627
-    1SOL     H6    6  -0.114591   0.054054  -0.157710
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006877   0.103161  -0.085040
-    0SOL     H2    2  -0.034377   0.037294  -0.148818
-    0SOL     H3    3   0.047656   0.163797  -0.135158
-    1SOL     O4    4   0.009879  -0.105920   0.095243
-    1SOL     H5    5  -0.084734  -0.118806   0.088558
-    1SOL     H6    6   0.029592  -0.038601   0.030113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007777  -0.101238   0.084848
-    0SOL     H2    2  -0.011018  -0.173050   0.021643
-    0SOL     H3    3  -0.056383  -0.133752   0.160627
-    1SOL     O4    4   0.005930   0.111836  -0.086282
-    1SOL     H5    5  -0.001700   0.029380  -0.038270
-    1SOL     H6    6   0.095157   0.111264  -0.120930
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041370  -0.064394   0.117040
-    0SOL     H2    2   0.096126  -0.142615   0.110284
-    0SOL     H3    3   0.043678  -0.025846   0.029456
-    1SOL     O4    4  -0.041248   0.060936  -0.111838
-    1SOL     H5    5  -0.006817   0.150236  -0.113316
-    1SOL     H6    6  -0.136222   0.071908  -0.107156
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069619  -0.030655   0.108934
-    0SOL     H2    2   0.053723  -0.124976   0.105315
-    0SOL     H3    3   0.163118  -0.022784   0.127865
-    1SOL     O4    4  -0.081030   0.037265  -0.111022
-    1SOL     H5    5  -0.008089   0.044364  -0.172596
-    1SOL     H6    6  -0.040692   0.007980  -0.029306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050391   0.128326   0.040288
-    0SOL     H2    2  -0.011305   0.060654   0.012423
-    0SOL     H3    3   0.136430   0.093396   0.017058
-    1SOL     O4    4  -0.056577  -0.116500  -0.037262
-    1SOL     H5    5  -0.012087  -0.155166   0.038156
-    1SOL     H6    6  -0.023677  -0.165817  -0.112413
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070417  -0.082636  -0.091075
-    0SOL     H2    2   0.026263  -0.067554  -0.174653
-    0SOL     H3    3   0.024791  -0.025614  -0.029196
-    1SOL     O4    4  -0.064620   0.071902   0.090267
-    1SOL     H5    5  -0.067463   0.111650   0.177298
-    1SOL     H6    6  -0.074957   0.145486   0.029928
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032647  -0.065122   0.114138
-    0SOL     H2    2  -0.031401  -0.023970   0.172160
-    0SOL     H3    3   0.117416  -0.034627   0.146491
-    1SOL     O4    4  -0.033566   0.068271  -0.117978
-    1SOL     H5    5  -0.052814   0.026566  -0.201957
-    1SOL     H6    6  -0.021264  -0.004665  -0.057222
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.048035   0.063774   0.116050
-    0SOL     H2    2  -0.005433   0.035829   0.041735
-    0SOL     H3    3   0.053281   0.158957   0.107394
-    1SOL     O4    4  -0.042207  -0.061588  -0.111787
-    1SOL     H5    5  -0.136720  -0.075384  -0.105521
-    1SOL     H6    6  -0.005214  -0.149823  -0.114689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051815  -0.119561  -0.057230
-    0SOL     H2    2   0.094466  -0.088333  -0.137029
-    0SOL     H3    3   0.005993  -0.042847  -0.022913
-    1SOL     O4    4  -0.051845   0.106277   0.057649
-    1SOL     H5    5  -0.065640   0.140903   0.145814
-    1SOL     H6    6  -0.033662   0.183510   0.004106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004837   0.135305  -0.037879
-    0SOL     H2    2   0.024319   0.047497  -0.013345
-    0SOL     H3    3   0.073114   0.190025  -0.028302
-    1SOL     O4    4   0.003013  -0.128582   0.033033
-    1SOL     H5    5  -0.064387  -0.181338  -0.009820
-    1SOL     H6    6   0.000218  -0.155943   0.124717
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010415   0.083721  -0.105939
-    0SOL     H2    2  -0.077284   0.032006  -0.150844
-    0SOL     H3    3  -0.050977   0.169471  -0.093137
-    1SOL     O4    4   0.011358  -0.086392   0.112089
-    1SOL     H5    5   0.016366  -0.031953   0.033516
-    1SOL     H6    6   0.096139  -0.130650   0.116064
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.089377  -0.047596  -0.099875
-    0SOL     H2    2   0.030501  -0.025179  -0.027810
-    0SOL     H3    3   0.133096  -0.127741  -0.071103
-    1SOL     O4    4  -0.089874   0.054719   0.088494
-    1SOL     H5    5  -0.040180   0.080988   0.165972
-    1SOL     H6    6  -0.115487  -0.035838   0.105977
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054827  -0.093833  -0.079850
-    0SOL     H2    2   0.139850  -0.094965  -0.035894
-    0SOL     H3    3   0.028293  -0.185742  -0.083154
-    1SOL     O4    4  -0.064080   0.098676   0.080476
-    1SOL     H5    5  -0.012082   0.178054   0.067924
-    1SOL     H6    6  -0.010010   0.028564   0.044102
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039239   0.136590   0.001589
-    0SOL     H2    2  -0.099855   0.152743  -0.070710
-    0SOL     H3    3  -0.021031   0.042724  -0.002874
-    1SOL     O4    4   0.036913  -0.128715  -0.000542
-    1SOL     H5    5   0.021150  -0.190553   0.070802
-    1SOL     H6    6   0.131573  -0.131716  -0.014427
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076783  -0.070779   0.086150
-    0SOL     H2    2   0.052458  -0.097884   0.174671
-    0SOL     H3    3   0.145675  -0.005596   0.099089
-    1SOL     O4    4  -0.076260   0.071858  -0.097304
-    1SOL     H5    5  -0.038892   0.003502  -0.041685
-    1SOL     H6    6  -0.164798   0.084744  -0.063285
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068473  -0.018799  -0.115503
-    0SOL     H2    2  -0.144161  -0.074630  -0.133294
-    0SOL     H3    3  -0.101693   0.070453  -0.125135
-    1SOL     O4    4   0.073596   0.014636   0.123035
-    1SOL     H5    5   0.026966  -0.010836   0.043416
-    1SOL     H6    6   0.138292   0.078701   0.093502
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061247   0.053214  -0.110938
-    0SOL     H2    2  -0.043468  -0.024915  -0.163303
-    0SOL     H3    3  -0.010524   0.122503  -0.153229
-    1SOL     O4    4   0.059870  -0.049809   0.121884
-    1SOL     H5    5   0.071749  -0.140629   0.094080
-    1SOL     H6    6   0.008063  -0.009894   0.051990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000307   0.075304   0.122760
-    0SOL     H2    2   0.091765   0.088811   0.145179
-    0SOL     H3    3   0.001942   0.024433   0.041708
-    1SOL     O4    4  -0.006738  -0.073646  -0.113258
-    1SOL     H5    5  -0.044168  -0.019501  -0.182753
-    1SOL     H6    6   0.066212  -0.119354  -0.155107
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133520   0.003343  -0.051698
-    0SOL     H2    2   0.048576   0.022278  -0.011846
-    0SOL     H3    3   0.185845   0.081750  -0.035064
-    1SOL     O4    4  -0.130258  -0.002557   0.046491
-    1SOL     H5    5  -0.082744  -0.059558   0.106952
-    1SOL     H6    6  -0.203419  -0.055999   0.015608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002711  -0.139539   0.044167
-    0SOL     H2    2   0.023164  -0.048173   0.032129
-    0SOL     H3    3  -0.056085  -0.159692  -0.032693
-    1SOL     O4    4  -0.001078   0.131408  -0.038611
-    1SOL     H5    5   0.062529   0.138418  -0.109796
-    1SOL     H6    6   0.030728   0.192267   0.028073
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012819   0.128237  -0.044400
-    0SOL     H2    2  -0.082477   0.121075  -0.038962
-    0SOL     H3    3   0.029923   0.222407  -0.043065
-    1SOL     O4    4  -0.009112  -0.139419   0.039033
-    1SOL     H5    5  -0.016291  -0.142724   0.134426
-    1SOL     H6    6   0.015646  -0.048947   0.019949
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123320  -0.076446  -0.004507
-    0SOL     H2    2  -0.130770  -0.102447  -0.096326
-    0SOL     H3    3  -0.046894  -0.018870  -0.001993
-    1SOL     O4    4   0.113259   0.075520   0.013092
-    1SOL     H5    5   0.133812   0.105295  -0.075527
-    1SOL     H6    6   0.193552   0.033128   0.043393
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097902  -0.084864  -0.067710
-    0SOL     H2    2   0.032359  -0.056702  -0.003888
-    0SOL     H3    3   0.046895  -0.121909  -0.139740
-    1SOL     O4    4  -0.092232   0.079664   0.071351
-    1SOL     H5    5  -0.032615   0.146850   0.104429
-    1SOL     H6    6  -0.121979   0.113458  -0.013121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072281   0.065688   0.097455
-    0SOL     H2    2   0.123302   0.136192   0.057601
-    0SOL     H3    3   0.019675   0.109128   0.164596
-    1SOL     O4    4  -0.079052  -0.072180  -0.099257
-    1SOL     H5    5  -0.018845  -0.106508  -0.165280
-    1SOL     H6    6  -0.022178  -0.040278  -0.029187
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089092  -0.101586  -0.050670
-    0SOL     H2    2  -0.080493  -0.193610  -0.025768
-    0SOL     H3    3  -0.015374  -0.058130  -0.007782
-    1SOL     O4    4   0.087009   0.099720   0.044169
-    1SOL     H5    5   0.036919   0.104686   0.125586
-    1SOL     H6    6   0.086977   0.189312   0.010470
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026378   0.050405  -0.134854
-    0SOL     H2    2   0.093812   0.117876  -0.126941
-    0SOL     H3    3   0.006931   0.025207  -0.044581
-    1SOL     O4    4  -0.026594  -0.049656   0.123090
-    1SOL     H5    5   0.021691  -0.110879   0.178611
-    1SOL     H6    6  -0.113007  -0.043384   0.163782
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065725  -0.122131   0.032091
-    0SOL     H2    2   0.000550  -0.132422   0.100384
-    0SOL     H3    3  -0.029728  -0.168563  -0.043477
-    1SOL     O4    4   0.062548   0.128269  -0.036822
-    1SOL     H5    5   0.081397   0.144189   0.055663
-    1SOL     H6    6   0.003562   0.052883  -0.036662
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014494   0.002031  -0.136130
-    0SOL     H2    2  -0.053562  -0.061144  -0.159358
-    0SOL     H3    3   0.056672   0.023543  -0.219321
-    1SOL     O4    4  -0.014925   0.005947   0.144526
-    1SOL     H5    5  -0.043718  -0.081953   0.169162
-    1SOL     H6    6   0.049189  -0.008430   0.074920
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000360   0.059757   0.133317
-    0SOL     H2    2   0.020805   0.031848   0.044235
-    0SOL     H3    3   0.076779   0.036135   0.184832
-    1SOL     O4    4  -0.001971  -0.050960  -0.131868
-    1SOL     H5    5  -0.096924  -0.059222  -0.123039
-    1SOL     H6    6   0.030319  -0.141026  -0.129079
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.103736  -0.090197  -0.030648
-    0SOL     H2    2   0.179527  -0.084288   0.027517
-    0SOL     H3    3   0.051000  -0.161282   0.005798
-    1SOL     O4    4  -0.105255   0.099767   0.021593
-    1SOL     H5    5  -0.039320   0.030655   0.015388
-    1SOL     H6    6  -0.166573   0.068531   0.088127
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006958  -0.096027   0.113684
-    0SOL     H2    2   0.009718  -0.058232   0.027337
-    0SOL     H3    3  -0.077919  -0.042920   0.149830
-    1SOL     O4    4   0.010896   0.084670  -0.112239
-    1SOL     H5    5   0.075958   0.143482  -0.073893
-    1SOL     H6    6  -0.067900   0.138342  -0.120767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.143075  -0.036307  -0.002973
-    0SOL     H2    2  -0.168137  -0.040126  -0.095274
-    0SOL     H3    3  -0.051876  -0.007258  -0.004050
-    1SOL     O4    4   0.132605   0.037002   0.008837
-    1SOL     H5    5   0.197024   0.040092  -0.061894
-    1SOL     H6    6   0.178654  -0.005121   0.081414
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020417  -0.072720   0.128542
-    0SOL     H2    2  -0.017367  -0.033548   0.041258
-    0SOL     H3    3   0.029982  -0.012741   0.183540
-    1SOL     O4    4   0.021455   0.066658  -0.120718
-    1SOL     H5    5   0.022268   0.006847  -0.195445
-    1SOL     H6    6  -0.046203   0.130895  -0.142128
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053133   0.109586  -0.087338
-    0SOL     H2    2   0.087397   0.144222  -0.004944
-    0SOL     H3    3  -0.007506   0.040397  -0.060916
-    1SOL     O4    4  -0.046342  -0.104625   0.078002
-    1SOL     H5    5  -0.127697  -0.138360   0.040511
-    1SOL     H6    6  -0.054040  -0.122187   0.171782
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.107013  -0.058645  -0.068487
-    0SOL     H2    2   0.090233  -0.152738  -0.073703
-    0SOL     H3    3   0.193682  -0.051908  -0.028419
-    1SOL     O4    4  -0.110560   0.067966   0.072441
-    1SOL     H5    5  -0.186800   0.053267   0.016462
-    1SOL     H6    6  -0.040481   0.017365   0.031321
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033769   0.102879  -0.104224
-    0SOL     H2    2   0.009949   0.167108  -0.037369
-    0SOL     H3    3   0.001244   0.019561  -0.070128
-    1SOL     O4    4  -0.035639  -0.098859   0.094863
-    1SOL     H5    5   0.014662  -0.060509   0.166706
-    1SOL     H6    6   0.000444  -0.186925   0.084634
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.133801   0.041255  -0.019438
-    0SOL     H2    2  -0.164755   0.059868   0.069206
-    0SOL     H3    3  -0.156483   0.119495  -0.069701
-    1SOL     O4    4   0.142995  -0.046234   0.013905
-    1SOL     H5    5   0.126563  -0.099425   0.091770
-    1SOL     H6    6   0.058137  -0.007051  -0.006738
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085115   0.108578   0.057433
-    0SOL     H2    2   0.032511   0.158492   0.119914
-    0SOL     H3    3   0.027059   0.038489   0.027780
-    1SOL     O4    4  -0.082929  -0.104297  -0.055489
-    1SOL     H5    5  -0.065504  -0.084569  -0.147519
-    1SOL     H6    6  -0.027179  -0.179659  -0.036127
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044160   0.125982  -0.048973
-    0SOL     H2    2  -0.026632   0.220015  -0.052574
-    0SOL     H3    3  -0.130167   0.119172  -0.007515
-    1SOL     O4    4   0.044452  -0.137198   0.047188
-    1SOL     H5    5   0.010266  -0.047856   0.050587
-    1SOL     H6    6   0.139050  -0.126340   0.037402
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030947  -0.146597   0.008834
-    0SOL     H2    2  -0.016832  -0.056924  -0.021527
-    0SOL     H3    3  -0.047581  -0.196642  -0.071048
-    1SOL     O4    4   0.032268   0.137333  -0.001909
-    1SOL     H5    5   0.004306   0.184571  -0.080324
-    1SOL     H6    6   0.041128   0.205137   0.065072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.082955  -0.068973  -0.093622
-    0SOL     H2    2   0.112899  -0.153590  -0.126873
-    0SOL     H3    3   0.031817  -0.031700  -0.165441
-    1SOL     O4    4  -0.086422   0.071348   0.104835
-    1SOL     H5    5  -0.042882   0.000795   0.056992
-    1SOL     H6    6  -0.049429   0.151634   0.068121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051070   0.128753  -0.034037
-    0SOL     H2    2  -0.115978   0.165394  -0.094093
-    0SOL     H3    3  -0.053636   0.186530   0.042237
-    1SOL     O4    4   0.056253  -0.134074   0.039588
-    1SOL     H5    5   0.002285  -0.072308  -0.009755
-    1SOL     H6    6   0.085496  -0.197784  -0.025590
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072032   0.027046   0.133959
-    0SOL     H2    2   0.005658   0.094786   0.146921
-    0SOL     H3    3   0.039825  -0.024239   0.059832
-    1SOL     O4    4  -0.060369  -0.027236  -0.126829
-    1SOL     H5    5  -0.148559  -0.040567  -0.092084
-    1SOL     H6    6  -0.071617  -0.028248  -0.221880
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083295  -0.022739   0.126095
-    0SOL     H2    2  -0.020158  -0.002788   0.056972
-    0SOL     H3    3  -0.128941   0.059973   0.141508
-    1SOL     O4    4   0.083164   0.020006  -0.117134
-    1SOL     H5    5   0.021976   0.042304  -0.187284
-    1SOL     H6    6   0.129057  -0.057672  -0.149108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054736  -0.123034  -0.052402
-    0SOL     H2    2  -0.123665  -0.101294  -0.115159
-    0SOL     H3    3  -0.017483  -0.204927  -0.085083
-    1SOL     O4    4   0.061132   0.129552   0.054676
-    1SOL     H5    5   0.022649   0.159026   0.137214
-    1SOL     H6    6   0.016917   0.046784   0.035786
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014537   0.051018  -0.140732
-    0SOL     H2    2  -0.109036   0.065682  -0.144884
-    0SOL     H3    3   0.021953   0.136252  -0.116942
-    1SOL     O4    4   0.013516  -0.055423   0.143928
-    1SOL     H5    5   0.012969  -0.037449   0.049913
-    1SOL     H6    6   0.097465  -0.098655   0.159608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111721   0.077922   0.070630
-    0SOL     H2    2  -0.033197   0.048401   0.116725
-    0SOL     H3    3  -0.108604   0.173403   0.076635
-    1SOL     O4    4   0.101927  -0.087225  -0.073410
-    1SOL     H5    5   0.117319  -0.026835  -0.146063
-    1SOL     H6    6   0.164912  -0.060693  -0.006393
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043430  -0.011593  -0.142767
-    0SOL     H2    2  -0.025423  -0.078211  -0.209101
-    0SOL     H3    3  -0.138856  -0.010252  -0.135388
-    1SOL     O4    4   0.045839   0.021435   0.150279
-    1SOL     H5    5   0.105745  -0.046317   0.181635
-    1SOL     H6    6   0.025936  -0.003964   0.060162
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071596  -0.145543  -0.029117
-    0SOL     H2    2   0.051387  -0.052245  -0.022098
-    0SOL     H3    3  -0.006756  -0.184194  -0.068224
-    1SOL     O4    4  -0.062225   0.142295   0.024710
-    1SOL     H5    5  -0.044055   0.199961   0.098918
-    1SOL     H6    6  -0.133600   0.086109   0.054893
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102701   0.023890  -0.120297
-    0SOL     H2    2  -0.090201   0.002036  -0.212647
-    0SOL     H3    3  -0.025987   0.076386  -0.097462
-    1SOL     O4    4   0.097860  -0.032752   0.125468
-    1SOL     H5    5   0.156673   0.022506   0.073992
-    1SOL     H6    6   0.031923   0.027658   0.159606
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028482   0.137304  -0.089223
-    0SOL     H2    2  -0.055121   0.087522  -0.166518
-    0SOL     H3    3   0.023411   0.075590  -0.037641
-    1SOL     O4    4   0.021838  -0.129247   0.086662
-    1SOL     H5    5   0.105464  -0.167190   0.059655
-    1SOL     H6    6   0.027938  -0.123115   0.181991
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057582  -0.092372  -0.133874
-    0SOL     H2    2   0.088791  -0.121573  -0.048226
-    0SOL     H3    3   0.064562   0.003041  -0.130708
-    1SOL     O4    4  -0.054565   0.089630   0.132636
-    1SOL     H5    5  -0.115871   0.016673   0.141650
-    1SOL     H6    6  -0.084820   0.136964   0.055135
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075943   0.092303   0.112478
-    0SOL     H2    2  -0.042862   0.178940   0.136183
-    0SOL     H3    3  -0.077577   0.043833   0.195003
-    1SOL     O4    4   0.073968  -0.101347  -0.120099
-    1SOL     H5    5   0.126955  -0.035613  -0.165196
-    1SOL     H6    6   0.026565  -0.052109  -0.053086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.091816  -0.149985  -0.002649
-    0SOL     H2    2   0.055767  -0.062442  -0.016754
-    0SOL     H3    3   0.024835  -0.195598   0.048296
-    1SOL     O4    4  -0.079761   0.148980   0.002168
-    1SOL     H5    5  -0.153064   0.127146   0.059721
-    1SOL     H6    6  -0.117152   0.147488  -0.085934
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.133387  -0.067660   0.071961
-    0SOL     H2    2  -0.175685  -0.140226   0.026055
-    0SOL     H3    3  -0.169342  -0.071122   0.160604
-    1SOL     O4    4   0.139624   0.071716  -0.067361
-    1SOL     H5    5   0.162460   0.009845  -0.136735
-    1SOL     H6    6   0.087626   0.138974  -0.111347
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139402  -0.057335  -0.102598
-    0SOL     H2    2  -0.120209  -0.077462  -0.011007
-    0SOL     H3    3  -0.059648  -0.081485  -0.149698
-    1SOL     O4    4   0.136903   0.059990   0.093708
-    1SOL     H5    5   0.071492  -0.003160   0.123636
-    1SOL     H6    6   0.142567   0.124085   0.164575
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035101   0.162684  -0.064097
-    0SOL     H2    2   0.101857   0.116465  -0.114791
-    0SOL     H3    3   0.076934   0.180397   0.020156
-    1SOL     O4    4  -0.041116  -0.162383   0.068424
-    1SOL     H5    5  -0.097913  -0.101459   0.021258
-    1SOL     H6    6   0.014537  -0.200695   0.000621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128547   0.028543  -0.114072
-    0SOL     H2    2   0.201503   0.042461  -0.174454
-    0SOL     H3    3   0.073938   0.106523  -0.124035
-    1SOL     O4    4  -0.128596  -0.029853   0.113310
-    1SOL     H5    5  -0.066628  -0.057349   0.180884
-    1SOL     H6    6  -0.208591  -0.078667   0.132811
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023226  -0.126672  -0.130438
-    0SOL     H2    2   0.038489  -0.197377  -0.193130
-    0SOL     H3    3  -0.027026  -0.061585  -0.179435
-    1SOL     O4    4  -0.023067   0.119865   0.137905
-    1SOL     H5    5   0.027339   0.178350   0.194483
-    1SOL     H6    6  -0.043164   0.172662   0.060633
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.176008  -0.064195   0.005128
-    0SOL     H2    2   0.234724  -0.127591  -0.036050
-    0SOL     H3    3   0.182380  -0.082893   0.098787
-    1SOL     O4    4  -0.184162   0.071092  -0.012562
-    1SOL     H5    5  -0.151510   0.117001   0.064824
-    1SOL     H6    6  -0.140832  -0.014219  -0.009919
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039734   0.179599   0.096760
-    0SOL     H2    2   0.081875   0.098767   0.067560
-    0SOL     H3    3   0.007447   0.220239   0.016335
-    1SOL     O4    4  -0.046018  -0.180258  -0.091419
-    1SOL     H5    5   0.020680  -0.151613  -0.153814
-    1SOL     H6    6  -0.010327  -0.156903  -0.005728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033030  -0.193676   0.079325
-    0SOL     H2    2   0.044530  -0.142471   0.056415
-    0SOL     H3    3  -0.083869  -0.197773  -0.001674
-    1SOL     O4    4   0.030321   0.189678  -0.066331
-    1SOL     H5    5   0.084169   0.255889  -0.109676
-    1SOL     H6    6  -0.009323   0.140255  -0.138081
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.048492   0.122425  -0.159299
-    0SOL     H2    2   0.093304   0.174888  -0.092953
-    0SOL     H3    3   0.065523   0.168199  -0.241622
-    1SOL     O4    4  -0.048858  -0.125711   0.166165
-    1SOL     H5    5  -0.026722  -0.201628   0.112231
-    1SOL     H6    6  -0.126351  -0.088278   0.124261
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010692  -0.211087   0.051590
-    0SOL     H2    2   0.008100  -0.125914   0.091019
-    0SOL     H3    3  -0.089926  -0.241171   0.096078
-    1SOL     O4    4   0.013750   0.206089  -0.063023
-    1SOL     H5    5   0.021810   0.292630  -0.022923
-    1SOL     H6    6   0.011336   0.145464   0.011011
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041440   0.200045   0.146572
-    0SOL     H2    2  -0.006304   0.124478   0.099482
-    0SOL     H3    3   0.005671   0.200425   0.229896
-    1SOL     O4    4   0.036319  -0.189211  -0.146794
-    1SOL     H5    5   0.054198  -0.268355  -0.096010
-    1SOL     H6    6   0.023151  -0.220573  -0.236267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026029  -0.211826  -0.117268
-    0SOL     H2    2  -0.045865  -0.298362  -0.081484
-    0SOL     H3    3   0.042898  -0.227744  -0.181750
-    1SOL     O4    4   0.022450   0.222572   0.124231
-    1SOL     H5    5   0.096693   0.209029   0.065351
-    1SOL     H6    6  -0.043450   0.159796   0.094590
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037708  -0.122353  -0.209747
-    0SOL     H2    2  -0.038943  -0.214805  -0.184977
-    0SOL     H3    3   0.015401  -0.119538  -0.289333
-    1SOL     O4    4   0.039847   0.131368   0.214416
-    1SOL     H5    5  -0.012763   0.077100   0.273148
-    1SOL     H6    6  -0.002974   0.123002   0.129217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044557  -0.000304  -0.258879
-    0SOL     H2    2   0.005972   0.072029  -0.221772
-    0SOL     H3    3  -0.040996  -0.068801  -0.192113
-    1SOL     O4    4   0.043206  -0.005496   0.251005
-    1SOL     H5    5  -0.017794   0.017463   0.321107
-    1SOL     H6    6   0.075314   0.078660   0.218614
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092829  -0.235265   0.084141
-    0SOL     H2    2   0.042619  -0.297423   0.136844
-    0SOL     H3    3   0.030541  -0.165621   0.063350
-    1SOL     O4    4  -0.086920   0.240743  -0.088417
-    1SOL     H5    5  -0.049497   0.217217  -0.003515
-    1SOL     H6    6  -0.106735   0.156831  -0.129992
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113454  -0.218835   0.093713
-    0SOL     H2    2   0.205754  -0.242215   0.083903
-    0SOL     H3    3   0.067378  -0.277179   0.033419
-    1SOL     O4    4  -0.118236   0.219603  -0.095049
-    1SOL     H5    5  -0.103681   0.188083  -0.005847
-    1SOL     H6    6  -0.090640   0.311234  -0.092925
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074009   0.202182  -0.183798
-    0SOL     H2    2  -0.097492   0.231126  -0.095633
-    0SOL     H3    3  -0.112938   0.115086  -0.191628
-    1SOL     O4    4   0.077515  -0.205344   0.177786
-    1SOL     H5    5   0.008317  -0.152796   0.217943
-    1SOL     H6    6   0.148368  -0.143138   0.161275
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062842  -0.249733   0.137098
-    0SOL     H2    2  -0.027442  -0.241276   0.048567
-    0SOL     H3    3  -0.030987  -0.334662   0.167670
-    1SOL     O4    4   0.059302   0.247333  -0.134057
-    1SOL     H5    5   0.026732   0.303277  -0.204568
-    1SOL     H6    6   0.083517   0.308265  -0.064320
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064533   0.207041  -0.232895
-    0SOL     H2    2  -0.040469   0.227056  -0.142437
-    0SOL     H3    3  -0.002995   0.138740  -0.259547
-    1SOL     O4    4   0.064429  -0.199244   0.231211
-    1SOL     H5    5   0.075028  -0.294128   0.224354
-    1SOL     H6    6  -0.026508  -0.183363   0.205900
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017302   0.204284   0.252365
-    0SOL     H2    2  -0.078411   0.203360   0.251624
-    0SOL     H3    3   0.042128   0.112199   0.260517
-    1SOL     O4    4  -0.013730  -0.196775  -0.246580
-    1SOL     H5    5  -0.085630  -0.203524  -0.309407
-    1SOL     H6    6   0.063613  -0.224798  -0.295520
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043858  -0.315043   0.093665
-    0SOL     H2    2  -0.132920  -0.348890   0.084464
-    0SOL     H3    3   0.004654  -0.355232   0.021597
-    1SOL     O4    4   0.051023   0.322071  -0.092005
-    1SOL     H5    5   0.055841   0.248882  -0.030502
-    1SOL     H6    6  -0.040723   0.349275  -0.089796
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025441   0.334989   0.040661
-    0SOL     H2    2   0.030582   0.340396   0.118085
-    0SOL     H3    3  -0.095096   0.274269   0.065633
-    1SOL     O4    4   0.028201  -0.338108  -0.045724
-    1SOL     H5    5  -0.061679  -0.305313  -0.042825
-    1SOL     H6    6   0.081482  -0.260569  -0.063366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025147   0.322847  -0.120303
-    0SOL     H2    2  -0.033450   0.346083  -0.212788
-    0SOL     H3    3  -0.006124   0.229038  -0.120741
-    1SOL     O4    4   0.024946  -0.318640   0.119475
-    1SOL     H5    5   0.037899  -0.394933   0.175812
-    1SOL     H6    6   0.004796  -0.247265   0.179989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000860   0.371939   0.203126
-    0SOL     H2    2  -0.078516   0.315981   0.202308
-    0SOL     H3    3   0.071677   0.312611   0.183605
-    1SOL     O4    4   0.003407  -0.358618  -0.203106
-    1SOL     H5    5   0.053820  -0.431899  -0.167740
-    1SOL     H6    6  -0.084041  -0.394599  -0.217959
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/250K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043000  -0.317003   0.415051
-    0SOL     H2    2   0.115245  -0.305083   0.476703
-    0SOL     H3    3  -0.030335  -0.345960   0.469326
-    1SOL     O4    4  -0.043902   0.311705  -0.423862
-    1SOL     H5    5   0.038838   0.353206  -0.399490
-    1SOL     H6    6  -0.110143   0.378857  -0.407585
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066112  -0.056941   0.102008
-    0SOL     H2    2  -0.043356  -0.147117   0.079365
-    0SOL     H3    3  -0.022560  -0.003751   0.035402
-    1SOL     O4    4   0.056026   0.059558  -0.095862
-    1SOL     H5    5   0.099664  -0.013034  -0.140454
-    1SOL     H6    6   0.126386   0.121389  -0.076147
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039570   0.079377   0.101349
-    0SOL     H2    2   0.004318   0.017091   0.037788
-    0SOL     H3    3   0.134409   0.067262   0.096763
-    1SOL     O4    4  -0.043579  -0.071215  -0.090378
-    1SOL     H5    5  -0.061446  -0.164047  -0.105388
-    1SOL     H6    6  -0.019478  -0.037177  -0.176534
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021784  -0.119828  -0.038199
-    0SOL     H2    2  -0.079017  -0.125336  -0.114726
-    0SOL     H3    3   0.063082  -0.151249  -0.069389
-    1SOL     O4    4   0.026005   0.124556   0.046345
-    1SOL     H5    5   0.009485   0.034029   0.019996
-    1SOL     H6    6  -0.057202   0.169459   0.031424
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011343  -0.107788   0.061538
-    0SOL     H2    2   0.049478  -0.181585   0.013978
-    0SOL     H3    3   0.033992  -0.123976   0.153120
-    1SOL     O4    4  -0.014888   0.114276  -0.070779
-    1SOL     H5    5  -0.029908   0.032415  -0.023498
-    1SOL     H6    6  -0.004659   0.180140  -0.002080
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077012   0.042838  -0.100524
-    0SOL     H2    2  -0.007973   0.048697  -0.034481
-    0SOL     H3    3  -0.043444   0.092959  -0.174843
-    1SOL     O4    4   0.071954  -0.039368   0.098996
-    1SOL     H5    5   0.118017  -0.116048   0.064928
-    1SOL     H6    6   0.012272  -0.074597   0.165022
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026337   0.044708  -0.116629
-    0SOL     H2    2  -0.060103   0.069525  -0.149409
-    0SOL     H3    3   0.085775   0.109736  -0.154055
-    1SOL     O4    4  -0.028069  -0.056568   0.121234
-    1SOL     H5    5   0.001750  -0.011508   0.042223
-    1SOL     H6    6  -0.007061   0.003673   0.192592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107522   0.008589   0.071578
-    0SOL     H2    2  -0.108324  -0.055220   0.142924
-    0SOL     H3    3  -0.178427  -0.019301   0.013640
-    1SOL     O4    4   0.111959   0.001614  -0.077623
-    1SOL     H5    5   0.055068   0.000170  -0.000658
-    1SOL     H6    6   0.166914  -0.076204  -0.068309
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073733  -0.094105   0.065024
-    0SOL     H2    2   0.059628  -0.019312   0.006978
-    0SOL     H3    3   0.111316  -0.161597   0.008502
-    1SOL     O4    4  -0.070472   0.092887  -0.053594
-    1SOL     H5    5  -0.057959   0.102907  -0.147962
-    1SOL     H6    6  -0.165409   0.095194  -0.041595
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022558   0.116588   0.049961
-    0SOL     H2    2  -0.008098   0.207252   0.051563
-    0SOL     H3    3   0.013605   0.086625   0.140428
-    1SOL     O4    4  -0.017049  -0.125341  -0.052169
-    1SOL     H5    5   0.004911  -0.032646  -0.042796
-    1SOL     H6    6  -0.093582  -0.126178  -0.109652
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008320  -0.101151  -0.081451
-    0SOL     H2    2   0.040339  -0.146839  -0.159231
-    0SOL     H3    3  -0.086204  -0.094268  -0.094873
-    1SOL     O4    4  -0.000051   0.104249   0.090958
-    1SOL     H5    5  -0.076645   0.158056   0.070945
-    1SOL     H6    6  -0.005077   0.031389   0.029083
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018403   0.068435  -0.107845
-    0SOL     H2    2   0.048165   0.067849  -0.198819
-    0SOL     H3    3   0.052251   0.150504  -0.072050
-    1SOL     O4    4  -0.019168  -0.078485   0.114335
-    1SOL     H5    5  -0.094079  -0.024134   0.138759
-    1SOL     H6    6   0.008812  -0.044069   0.029512
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127457  -0.003929  -0.057133
-    0SOL     H2    2   0.040980  -0.012213  -0.016939
-    0SOL     H3    3   0.113571   0.053713  -0.132279
-    1SOL     O4    4  -0.119255  -0.003295   0.054453
-    1SOL     H5    5  -0.137805  -0.021084   0.146658
-    1SOL     H6    6  -0.137604   0.090050   0.043856
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076975  -0.023440   0.112259
-    0SOL     H2    2   0.138350   0.049275   0.122646
-    0SOL     H3    3   0.049961  -0.019128   0.020532
-    1SOL     O4    4  -0.073060   0.018153  -0.111420
-    1SOL     H5    5  -0.141294  -0.045171  -0.089138
-    1SOL     H6    6  -0.104795   0.101149  -0.075828
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038518  -0.126495   0.039547
-    0SOL     H2    2   0.019422  -0.032742   0.042377
-    0SOL     H3    3   0.122736  -0.135192   0.084200
-    1SOL     O4    4  -0.039716   0.115585  -0.039451
-    1SOL     H5    5  -0.073202   0.193393   0.005123
-    1SOL     H6    6  -0.048516   0.135653  -0.132629
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007890   0.022238  -0.136845
-    0SOL     H2    2  -0.014188   0.023661  -0.043717
-    0SOL     H3    3   0.023014   0.114043  -0.159329
-    1SOL     O4    4  -0.010787  -0.022706   0.127695
-    1SOL     H5    5   0.081849  -0.025620   0.151618
-    1SOL     H6    6  -0.052092  -0.088511   0.183604
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051879  -0.058265   0.103971
-    0SOL     H2    2   0.042022  -0.153455   0.105988
-    0SOL     H3    3   0.141848  -0.042839   0.132777
-    1SOL     O4    4  -0.055651   0.069436  -0.106632
-    1SOL     H5    5  -0.016374   0.009801  -0.042888
-    1SOL     H6    6  -0.116869   0.014868  -0.155999
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024551   0.067164  -0.111202
-    0SOL     H2    2  -0.044755   0.159320  -0.127366
-    0SOL     H3    3   0.068633   0.059098  -0.131552
-    1SOL     O4    4   0.021262  -0.070266   0.120101
-    1SOL     H5    5   0.004385  -0.015608   0.043354
-    1SOL     H6    6   0.021673  -0.159778   0.086193
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025354  -0.065849   0.111509
-    0SOL     H2    2  -0.055640  -0.004346   0.178310
-    0SOL     H3    3  -0.098273  -0.126817   0.100194
-    1SOL     O4    4   0.029578   0.071885  -0.116973
-    1SOL     H5    5   0.066007  -0.002513  -0.164934
-    1SOL     H6    6   0.020880   0.040481  -0.026970
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073180   0.087372   0.083285
-    0SOL     H2    2   0.067151   0.153249   0.014103
-    0SOL     H3    3   0.027470   0.011102   0.047846
-    1SOL     O4    4  -0.072844  -0.082910  -0.073006
-    1SOL     H5    5  -0.023070  -0.162954  -0.056336
-    1SOL     H6    6  -0.078544  -0.077623  -0.168409
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126308  -0.013364  -0.063028
-    0SOL     H2    2  -0.135343  -0.100098  -0.023557
-    0SOL     H3    3  -0.032883   0.006396  -0.056421
-    1SOL     O4    4   0.116548   0.012890   0.058224
-    1SOL     H5    5   0.105210   0.098927   0.098615
-    1SOL     H6    6   0.211384   0.000481   0.054404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042562   0.062108  -0.119593
-    0SOL     H2    2  -0.074906   0.146545  -0.088184
-    0SOL     H3    3  -0.015801   0.015655  -0.040294
-    1SOL     O4    4   0.042957  -0.062095   0.105642
-    1SOL     H5    5  -0.030557  -0.073079   0.165952
-    1SOL     H6    6   0.119522  -0.090153   0.155771
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033394   0.055780  -0.123433
-    0SOL     H2    2  -0.012357   0.147707  -0.139839
-    0SOL     H3    3   0.012745   0.034720  -0.042254
-    1SOL     O4    4   0.026774  -0.053471   0.119473
-    1SOL     H5    5   0.114412  -0.073228   0.152513
-    1SOL     H6    6  -0.008896  -0.138483   0.093725
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.047448   0.086374  -0.088836
-    0SOL     H2    2  -0.020154   0.154083  -0.091634
-    0SOL     H3    3   0.129138   0.134545  -0.075845
-    1SOL     O4    4  -0.052382  -0.098820   0.086391
-    1SOL     H5    5  -0.015019  -0.032326   0.028556
-    1SOL     H6    6  -0.022324  -0.074177   0.173863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002624   0.125967  -0.054512
-    0SOL     H2    2  -0.058495   0.113869  -0.131287
-    0SOL     H3    3  -0.063843   0.135715   0.018423
-    1SOL     O4    4   0.005814  -0.131899   0.054888
-    1SOL     H5    5  -0.026712  -0.041958   0.058784
-    1SOL     H6    6   0.100791  -0.122762   0.047260
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018415  -0.138059   0.035973
-    0SOL     H2    2  -0.029017  -0.096846   0.121713
-    0SOL     H3    3  -0.013555  -0.064794  -0.025435
-    1SOL     O4    4   0.014652   0.128509  -0.040954
-    1SOL     H5    5   0.106158   0.143995  -0.064389
-    1SOL     H6    6   0.005845   0.165285   0.046980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083302   0.084823  -0.076325
-    0SOL     H2    2  -0.077000   0.173314  -0.040382
-    0SOL     H3    3  -0.026056   0.032137  -0.020563
-    1SOL     O4    4   0.073560  -0.087554   0.070794
-    1SOL     H5    5   0.124105  -0.027633   0.125721
-    1SOL     H6    6   0.139499  -0.135796   0.020922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097975  -0.093874   0.039587
-    0SOL     H2    2  -0.173801  -0.044336   0.070551
-    0SOL     H3    3  -0.031534  -0.027342   0.021660
-    1SOL     O4    4   0.092116   0.085643  -0.042962
-    1SOL     H5    5   0.117625   0.167359  -0.000134
-    1SOL     H6    6   0.171654   0.032392  -0.042369
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053743   0.036632   0.113907
-    0SOL     H2    2  -0.128055   0.007770   0.166887
-    0SOL     H3    3   0.007828   0.073725   0.177118
-    1SOL     O4    4   0.057335  -0.032748  -0.125823
-    1SOL     H5    5   0.020984  -0.011351  -0.039898
-    1SOL     H6    6   0.047921  -0.127742  -0.132883
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075099   0.028920   0.111238
-    0SOL     H2    2   0.036205   0.102708   0.158194
-    0SOL     H3    3   0.141689   0.068617   0.055093
-    1SOL     O4    4  -0.080629  -0.040547  -0.113317
-    1SOL     H5    5  -0.030366  -0.041975  -0.031868
-    1SOL     H6    6  -0.061992   0.045219  -0.151517
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047302  -0.105319  -0.072369
-    0SOL     H2    2  -0.042467  -0.088430  -0.166463
-    0SOL     H3    3  -0.140478  -0.118935  -0.055188
-    1SOL     O4    4   0.054167   0.105983   0.082825
-    1SOL     H5    5   0.066775   0.164122   0.007837
-    1SOL     H6    6   0.001070   0.034008   0.048728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017393   0.108148   0.085457
-    0SOL     H2    2   0.025356   0.168560   0.011637
-    0SOL     H3    3  -0.074353   0.114617   0.111972
-    1SOL     O4    4  -0.015687  -0.114978  -0.088365
-    1SOL     H5    5   0.061997  -0.146150  -0.041935
-    1SOL     H6    6  -0.043257  -0.037361  -0.039602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012654  -0.085352  -0.113935
-    0SOL     H2    2  -0.017890  -0.021015  -0.049981
-    0SOL     H3    3   0.024529  -0.035224  -0.194610
-    1SOL     O4    4  -0.012924   0.074157   0.111334
-    1SOL     H5    5   0.006330   0.070174   0.205013
-    1SOL     H6    6  -0.007325   0.167213   0.089619
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073223  -0.083551   0.090507
-    0SOL     H2    2  -0.035503  -0.030848   0.020065
-    0SOL     H3    3  -0.165296  -0.093558   0.066328
-    1SOL     O4    4   0.069834   0.080919  -0.085184
-    1SOL     H5    5   0.131133   0.019714  -0.125912
-    1SOL     H6    6   0.125635   0.145574  -0.041960
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076451  -0.031135  -0.108793
-    0SOL     H2    2   0.096812  -0.124211  -0.117995
-    0SOL     H3    3   0.161258   0.010606  -0.093705
-    1SOL     O4    4  -0.088244   0.034367   0.107431
-    1SOL     H5    5  -0.022888   0.007709   0.042777
-    1SOL     H6    6  -0.037758   0.051509   0.186927
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007444   0.101394  -0.089005
-    0SOL     H2    2   0.078379   0.108523  -0.152877
-    0SOL     H3    3   0.005407   0.186770  -0.045773
-    1SOL     O4    4  -0.006682  -0.111625   0.089488
-    1SOL     H5    5  -0.078046  -0.104302   0.152859
-    1SOL     H6    6  -0.013161  -0.032011   0.036743
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009176  -0.050036  -0.125946
-    0SOL     H2    2  -0.088845  -0.102067  -0.115559
-    0SOL     H3    3  -0.021831  -0.002953  -0.208319
-    1SOL     O4    4   0.015956   0.056970   0.131094
-    1SOL     H5    5   0.055528  -0.005673   0.070494
-    1SOL     H6    6  -0.052992   0.007377   0.175242
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065584   0.075030   0.101247
-    0SOL     H2    2   0.010558   0.003170   0.070091
-    0SOL     H3    3   0.038313   0.088532   0.192001
-    1SOL     O4    4  -0.057127  -0.076600  -0.100625
-    1SOL     H5    5  -0.149744  -0.054214  -0.091498
-    1SOL     H6    6  -0.026692  -0.023336  -0.174103
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060832  -0.118808   0.021953
-    0SOL     H2    2  -0.139114  -0.173169   0.013054
-    0SOL     H3    3   0.011887  -0.178245   0.003477
-    1SOL     O4    4   0.063008   0.127337  -0.026739
-    1SOL     H5    5   0.086632   0.174691   0.053022
-    1SOL     H6    6   0.008915   0.054484   0.003735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044373   0.118956   0.048796
-    0SOL     H2    2   0.138542   0.110402   0.063675
-    0SOL     H3    3   0.013411   0.173036   0.121454
-    1SOL     O4    4  -0.053643  -0.120247  -0.057543
-    1SOL     H5    5  -0.010987  -0.205028  -0.045100
-    1SOL     H6    6  -0.001200  -0.059166  -0.005763
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.142010   0.000445  -0.022176
-    0SOL     H2    2  -0.056393   0.016326   0.017572
-    0SOL     H3    3  -0.204547   0.015553   0.048697
-    1SOL     O4    4   0.138068   0.001457   0.020320
-    1SOL     H5    5   0.170301   0.031425  -0.064681
-    1SOL     H6    6   0.152577  -0.093154   0.019490
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040908  -0.128070   0.019525
-    0SOL     H2    2   0.134321  -0.117150   0.037329
-    0SOL     H3    3   0.027171  -0.222792   0.020671
-    1SOL     O4    4  -0.045045   0.135444  -0.026255
-    1SOL     H5    5  -0.066308   0.179313   0.056121
-    1SOL     H6    6  -0.030113   0.044149  -0.001668
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035222  -0.050494   0.121440
-    0SOL     H2    2   0.025280  -0.026589   0.191657
-    0SOL     H3    3  -0.117261  -0.070867   0.166349
-    1SOL     O4    4   0.034624   0.050476  -0.134080
-    1SOL     H5    5   0.114845   0.087859  -0.097619
-    1SOL     H6    6  -0.009836   0.011177  -0.058972
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016996  -0.144935  -0.029317
-    0SOL     H2    2  -0.046330  -0.148749   0.061718
-    0SOL     H3    3   0.003271  -0.052568  -0.044150
-    1SOL     O4    4   0.016516   0.137628   0.018464
-    1SOL     H5    5   0.096814   0.139589   0.070528
-    1SOL     H6    6  -0.050230   0.175204   0.075869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046104   0.120896   0.064270
-    0SOL     H2    2  -0.049240   0.140181   0.157975
-    0SOL     H3    3  -0.029374   0.026761   0.059689
-    1SOL     O4    4   0.049687  -0.111271  -0.068314
-    1SOL     H5    5  -0.008639  -0.123408  -0.143235
-    1SOL     H6    6   0.035148  -0.188602  -0.013808
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.107021   0.012740   0.102015
-    0SOL     H2    2   0.157193   0.085956   0.066175
-    0SOL     H3    3   0.042193  -0.007265   0.034491
-    1SOL     O4    4  -0.099620  -0.015499  -0.097625
-    1SOL     H5    5  -0.166431  -0.076961  -0.127974
-    1SOL     H6    6  -0.142179   0.033347  -0.027162
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099684  -0.097052  -0.010930
-    0SOL     H2    2  -0.169965  -0.128451   0.045964
-    0SOL     H3    3  -0.144870  -0.060959  -0.087205
-    1SOL     O4    4   0.113485   0.095563   0.011217
-    1SOL     H5    5   0.072034   0.175261   0.044267
-    1SOL     H6    6   0.040658   0.035626  -0.005095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014608  -0.101813   0.106650
-    0SOL     H2    2   0.042319  -0.081051   0.180748
-    0SOL     H3    3   0.001092  -0.031315   0.043834
-    1SOL     O4    4   0.006873   0.092960  -0.102953
-    1SOL     H5    5   0.034361   0.068833  -0.191409
-    1SOL     H6    6   0.043117   0.180542  -0.089609
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022569   0.149800  -0.001895
-    0SOL     H2    2   0.061110   0.132075   0.041070
-    0SOL     H3    3  -0.061889   0.063431  -0.014411
-    1SOL     O4    4   0.020904  -0.138407   0.004323
-    1SOL     H5    5   0.070352  -0.158580  -0.075114
-    1SOL     H6    6  -0.041729  -0.210326   0.012517
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031076  -0.132366  -0.031322
-    0SOL     H2    2   0.119408  -0.162663  -0.052342
-    0SOL     H3    3  -0.025777  -0.180717  -0.091258
-    1SOL     O4    4  -0.029796   0.142710   0.039944
-    1SOL     H5    5   0.013751   0.062762   0.010375
-    1SOL     H6    6  -0.120191   0.133320   0.009896
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061246   0.120606  -0.039459
-    0SOL     H2    2  -0.089666   0.187628   0.022691
-    0SOL     H3    3   0.004528   0.164352  -0.093519
-    1SOL     O4    4   0.055768  -0.133300   0.041827
-    1SOL     H5    5   0.132090  -0.128366  -0.015732
-    1SOL     H6    6   0.029671  -0.042146   0.054947
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071659   0.112660   0.063524
-    0SOL     H2    2   0.007181   0.042768   0.052565
-    0SOL     H3    3   0.043260   0.159409   0.142076
-    1SOL     O4    4  -0.061902  -0.111424  -0.062177
-    1SOL     H5    5  -0.047718  -0.141010  -0.152098
-    1SOL     H6    6  -0.152131  -0.079482  -0.061373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068183   0.073197  -0.114531
-    0SOL     H2    2  -0.141531   0.011877  -0.119247
-    0SOL     H3    3  -0.010269   0.036259  -0.047868
-    1SOL     O4    4   0.071434  -0.060857   0.109492
-    1SOL     H5    5  -0.012998  -0.086475   0.146605
-    1SOL     H6    6   0.116902  -0.143632   0.093897
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035814   0.147919  -0.005158
-    0SOL     H2    2   0.023071   0.053174  -0.009987
-    0SOL     H3    3  -0.041460   0.184741  -0.047998
-    1SOL     O4    4  -0.026807  -0.140762   0.003407
-    1SOL     H5    5  -0.120064  -0.131383   0.022836
-    1SOL     H6    6   0.001927  -0.213713   0.058316
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067427   0.131927   0.003659
-    0SOL     H2    2  -0.056844   0.153253   0.096371
-    0SOL     H3    3  -0.000820   0.184373  -0.040785
-    1SOL     O4    4   0.061023  -0.142000  -0.003442
-    1SOL     H5    5   0.010339  -0.062796  -0.021338
-    1SOL     H6    6   0.145030  -0.127045  -0.046817
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.105074   0.065409   0.091696
-    0SOL     H2    2  -0.057871   0.123895   0.150971
-    0SOL     H3    3  -0.036592   0.024409   0.038861
-    1SOL     O4    4   0.096715  -0.059479  -0.091251
-    1SOL     H5    5   0.045487  -0.128728  -0.132994
-    1SOL     H6    6   0.177491  -0.102743  -0.063579
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079271  -0.118722  -0.056746
-    0SOL     H2    2  -0.048927  -0.046939  -0.001171
-    0SOL     H3    3  -0.102957  -0.188239   0.004644
-    1SOL     O4    4   0.076720   0.114599   0.055463
-    1SOL     H5    5   0.150307   0.102333  -0.004510
-    1SOL     H6    6   0.038734   0.198676   0.029962
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039934   0.055373   0.130741
-    0SOL     H2    2   0.125225   0.013300   0.141585
-    0SOL     H3    3  -0.000072   0.051259   0.217602
-    1SOL     O4    4  -0.041162  -0.059274  -0.137238
-    1SOL     H5    5   0.002174  -0.001873  -0.074076
-    1SOL     H6    6  -0.106017  -0.003319  -0.179960
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067366   0.131391   0.013376
-    0SOL     H2    2   0.035043   0.186283  -0.058070
-    0SOL     H3    3   0.162017   0.127438  -0.000331
-    1SOL     O4    4  -0.070093  -0.139265  -0.012620
-    1SOL     H5    5  -0.120559  -0.142317   0.068659
-    1SOL     H6    6  -0.036806  -0.049619  -0.016848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113963  -0.106033  -0.006571
-    0SOL     H2    2   0.067722  -0.103831   0.077209
-    0SOL     H3    3   0.049929  -0.141222  -0.068408
-    1SOL     O4    4  -0.106748   0.113702   0.008963
-    1SOL     H5    5  -0.071287   0.094805  -0.077914
-    1SOL     H6    6  -0.154734   0.034459   0.033054
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083733   0.047331  -0.118518
-    0SOL     H2    2   0.161978  -0.007738  -0.115819
-    0SOL     H3    3   0.095642   0.109486  -0.046704
-    1SOL     O4    4  -0.084393  -0.051610   0.116756
-    1SOL     H5    5  -0.093034  -0.015327   0.028601
-    1SOL     H6    6  -0.161487  -0.019553   0.163565
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002637   0.124374   0.098017
-    0SOL     H2    2   0.014906   0.048623   0.042192
-    0SOL     H3    3  -0.037082   0.086960   0.179110
-    1SOL     O4    4   0.004816  -0.111477  -0.095862
-    1SOL     H5    5  -0.067369  -0.129411  -0.156112
-    1SOL     H6    6   0.058828  -0.190442  -0.098942
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074823   0.132784  -0.019077
-    0SOL     H2    2   0.002002   0.184146   0.005864
-    0SOL     H3    3  -0.140988   0.155260   0.046340
-    1SOL     O4    4   0.078948  -0.140340   0.018430
-    1SOL     H5    5   0.039532  -0.175712  -0.061304
-    1SOL     H6    6   0.044484  -0.051264   0.024760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111228   0.028239  -0.102792
-    0SOL     H2    2   0.099380   0.115179  -0.064539
-    0SOL     H3    3   0.126291   0.044816  -0.195854
-    1SOL     O4    4  -0.117472  -0.036063   0.106618
-    1SOL     H5    5  -0.040348  -0.088018   0.129309
-    1SOL     H6    6  -0.082011   0.047346   0.075834
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075975  -0.118772   0.085683
-    0SOL     H2    2  -0.006195  -0.129636   0.021068
-    0SOL     H3    3  -0.125441  -0.042771   0.055036
-    1SOL     O4    4   0.069185   0.116059  -0.082909
-    1SOL     H5    5   0.116147   0.169312  -0.018715
-    1SOL     H6    6   0.123603   0.038071  -0.093808
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066409   0.086221   0.109787
-    0SOL     H2    2   0.063449   0.131779   0.193918
-    0SOL     H3    3   0.137210   0.022534   0.119460
-    1SOL     O4    4  -0.065465  -0.087140  -0.118806
-    1SOL     H5    5  -0.160105  -0.098509  -0.127532
-    1SOL     H6    6  -0.054540  -0.038949  -0.036827
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054468   0.040502   0.152800
-    0SOL     H2    2  -0.019140   0.018547   0.095685
-    0SOL     H3    3   0.130580   0.001290   0.110003
-    1SOL     O4    4  -0.054325  -0.038234  -0.140889
-    1SOL     H5    5  -0.036790   0.045800  -0.183235
-    1SOL     H6    6  -0.075330  -0.097539  -0.213028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013730   0.112610   0.121287
-    0SOL     H2    2  -0.068577   0.102840   0.169166
-    0SOL     H3    3   0.011387   0.043439   0.055165
-    1SOL     O4    4  -0.006706  -0.111381  -0.115126
-    1SOL     H5    5  -0.097950  -0.083823  -0.123917
-    1SOL     H6    6   0.033914  -0.086756  -0.198228
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005924  -0.083619  -0.148603
-    0SOL     H2    2   0.058403  -0.044907  -0.207981
-    0SOL     H3    3  -0.005496  -0.026202  -0.072018
-    1SOL     O4    4   0.002500   0.072217   0.145341
-    1SOL     H5    5   0.011301   0.156927   0.101649
-    1SOL     H6    6  -0.011089   0.094064   0.237538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021266  -0.147181   0.083793
-    0SOL     H2    2   0.055139  -0.178413   0.167695
-    0SOL     H3    3   0.027446  -0.051826   0.089416
-    1SOL     O4    4  -0.026804   0.138578  -0.086736
-    1SOL     H5    5   0.065973   0.143650  -0.109736
-    1SOL     H6    6  -0.061075   0.225886  -0.105844
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111389   0.118072   0.086759
-    0SOL     H2    2   0.048018   0.048106   0.070912
-    0SOL     H3    3   0.082394   0.158664   0.168452
-    1SOL     O4    4  -0.106608  -0.120044  -0.084313
-    1SOL     H5    5  -0.164792  -0.050036  -0.113905
-    1SOL     H6    6  -0.043875  -0.130931  -0.155786
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094450   0.013083   0.164540
-    0SOL     H2    2   0.083622   0.010906   0.069459
-    0SOL     H3    3   0.120692  -0.075995   0.187751
-    1SOL     O4    4  -0.093061  -0.009260  -0.153899
-    1SOL     H5    5  -0.130044  -0.070696  -0.217303
-    1SOL     H6    6  -0.095198   0.075421  -0.198474
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008357   0.192898   0.035450
-    0SOL     H2    2   0.050039   0.129411   0.093711
-    0SOL     H3    3  -0.007275   0.144437  -0.045603
-    1SOL     O4    4  -0.014658  -0.182622  -0.030244
-    1SOL     H5    5   0.003630  -0.276414  -0.024674
-    1SOL     H6    6   0.046240  -0.150197  -0.096594
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.175161   0.048697  -0.084074
-    0SOL     H2    2   0.232650  -0.024790  -0.062699
-    0SOL     H3    3   0.129681   0.068210  -0.002140
-    1SOL     O4    4  -0.180311  -0.047471   0.082932
-    1SOL     H5    5  -0.106473   0.013013   0.090142
-    1SOL     H6    6  -0.180239  -0.074596  -0.008864
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021570   0.175106  -0.109292
-    0SOL     H2    2   0.059219   0.089825  -0.131018
-    0SOL     H3    3  -0.064333   0.154702  -0.072324
-    1SOL     O4    4  -0.018411  -0.168857   0.102479
-    1SOL     H5    5  -0.081572  -0.227899   0.143552
-    1SOL     H6    6   0.025156  -0.125506   0.175861
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004132   0.052920   0.221817
-    0SOL     H2    2  -0.086500   0.022134   0.221218
-    0SOL     H3    3   0.050176  -0.006870   0.162932
-    1SOL     O4    4   0.003068  -0.043855  -0.219307
-    1SOL     H5    5  -0.080472  -0.030756  -0.174453
-    1SOL     H6    6  -0.000691  -0.134031  -0.251188
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125431  -0.183995  -0.042054
-    0SOL     H2    2   0.083065  -0.240030   0.022965
-    0SOL     H3    3   0.065972  -0.185077  -0.117059
-    1SOL     O4    4  -0.119473   0.194115   0.041747
-    1SOL     H5    5  -0.105397   0.140128   0.119525
-    1SOL     H6    6  -0.138797   0.131329  -0.027872
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016279   0.249052   0.059376
-    0SOL     H2    2  -0.074673   0.211684  -0.006625
-    0SOL     H3    3  -0.003540   0.178532   0.122835
-    1SOL     O4    4   0.014535  -0.246208  -0.063095
-    1SOL     H5    5   0.023637  -0.247644   0.032181
-    1SOL     H6    6   0.079828  -0.182684  -0.092486
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.081711   0.083613  -0.225705
-    0SOL     H2    2   0.134142   0.092140  -0.146077
-    0SOL     H3    3   0.086441  -0.009424  -0.247704
-    1SOL     O4    4  -0.083835  -0.076512   0.216808
-    1SOL     H5    5  -0.165754  -0.091436   0.264019
-    1SOL     H6    6  -0.015582  -0.104981   0.277581
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.048021   0.266894   0.009263
-    0SOL     H2    2  -0.019584   0.237651  -0.051866
-    0SOL     H3    3   0.105950   0.321855  -0.043518
-    1SOL     O4    4  -0.049644  -0.274644  -0.003858
-    1SOL     H5    5  -0.102206  -0.196050  -0.018772
-    1SOL     H6    6   0.037440  -0.241480   0.018024
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070023  -0.277007  -0.047943
-    0SOL     H2    2  -0.020657  -0.198829  -0.023170
-    0SOL     H3    3  -0.160126  -0.257704  -0.022036
-    1SOL     O4    4   0.069575   0.265304   0.046691
-    1SOL     H5    5   0.048192   0.352228   0.080590
-    1SOL     H6    6   0.139340   0.280867  -0.016972
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061093   0.144721  -0.255526
-    0SOL     H2    2   0.027178   0.165654  -0.286060
-    0SOL     H3    3  -0.074205   0.201282  -0.179425
-    1SOL     O4    4   0.055361  -0.154464   0.248739
-    1SOL     H5    5  -0.005555  -0.093951   0.291043
-    1SOL     H6    6   0.141971  -0.124703   0.276582
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.167100   0.244257   0.047524
-    0SOL     H2    2   0.197582   0.229462   0.137046
-    0SOL     H3    3   0.238353   0.212098  -0.007712
-    1SOL     O4    4  -0.175627  -0.243140  -0.043209
-    1SOL     H5    5  -0.089141  -0.266487  -0.076933
-    1SOL     H6    6  -0.217015  -0.194791  -0.114705
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137840  -0.263109   0.156424
-    0SOL     H2    2  -0.209538  -0.287005   0.215167
-    0SOL     H3    3  -0.093205  -0.191157   0.201068
-    1SOL     O4    4   0.138818   0.254541  -0.158176
-    1SOL     H5    5   0.090530   0.335062  -0.139548
-    1SOL     H6    6   0.190160   0.274890  -0.236357
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014940   0.266248  -0.237348
-    0SOL     H2    2   0.054142   0.181000  -0.218419
-    0SOL     H3    3  -0.052864   0.247595  -0.302287
-    1SOL     O4    4  -0.014573  -0.265958   0.243027
-    1SOL     H5    5  -0.059249  -0.232437   0.165292
-    1SOL     H6    6   0.050302  -0.198847   0.264233
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021022   0.113183  -0.343798
-    0SOL     H2    2  -0.008123   0.093745  -0.254719
-    0SOL     H3    3   0.078440   0.040115  -0.366744
-    1SOL     O4    4  -0.018543  -0.107530   0.335031
-    1SOL     H5    5  -0.091687  -0.168644   0.343823
-    1SOL     H6    6  -0.018622  -0.058058   0.416976
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079293  -0.174032  -0.331851
-    0SOL     H2    2  -0.064470  -0.144851  -0.421802
-    0SOL     H3    3   0.007661  -0.197894  -0.299725
-    1SOL     O4    4   0.077125   0.168391   0.333013
-    1SOL     H5    5   0.017665   0.224536   0.283268
-    1SOL     H6    6   0.076463   0.205097   0.421413
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061662  -0.209404   0.352719
-    0SOL     H2    2   0.007939  -0.135808   0.323397
-    0SOL     H3    3   0.151337  -0.175992   0.350622
-    1SOL     O4    4  -0.061177   0.197963  -0.347097
-    1SOL     H5    5  -0.144534   0.199717  -0.394117
-    1SOL     H6    6  -0.021768   0.283354  -0.364921
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051672   0.303345  -0.282475
-    0SOL     H2    2   0.112459   0.341214  -0.218968
-    0SOL     H3    3  -0.026471   0.358316  -0.276631
-    1SOL     O4    4  -0.046297  -0.304392   0.275571
-    1SOL     H5    5  -0.035565  -0.398598   0.288705
-    1SOL     H6    6  -0.133442  -0.285113   0.310160
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016287   0.016998  -0.420121
-    0SOL     H2    2   0.019663  -0.078606  -0.423397
-    0SOL     H3    3  -0.073098   0.036915  -0.392264
-    1SOL     O4    4  -0.017499  -0.014875   0.416677
-    1SOL     H5    5   0.001070   0.048496   0.485970
-    1SOL     H6    6   0.068664  -0.039947   0.383366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/260K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053216   0.368313   0.215513
-    0SOL     H2    2  -0.078272   0.352911   0.306603
-    0SOL     H3    3   0.041438   0.382199   0.218678
-    1SOL     O4    4   0.043804  -0.365205  -0.217086
-    1SOL     H5    5   0.046664  -0.450354  -0.260720
-    1SOL     H6    6   0.132510  -0.330470  -0.226408
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001932  -0.095229   0.083147
-    0SOL     H2    2  -0.097388  -0.099927   0.077823
-    0SOL     H3    3   0.028815  -0.145576   0.007767
-    1SOL     O4    4   0.000337   0.099468  -0.082563
-    1SOL     H5    5   0.084544   0.144713  -0.077620
-    1SOL     H6    6   0.004666   0.033117  -0.013708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099358  -0.077709   0.025317
-    0SOL     H2    2   0.135941  -0.080078   0.113739
-    0SOL     H3    3   0.037264  -0.004882   0.026979
-    1SOL     O4    4  -0.092863   0.077369  -0.026975
-    1SOL     H5    5  -0.161755   0.022508   0.010529
-    1SOL     H6    6  -0.106968   0.072325  -0.121515
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065528   0.086652  -0.080956
-    0SOL     H2    2  -0.000861   0.023485  -0.049483
-    0SOL     H3    3  -0.138414   0.079086  -0.019372
-    1SOL     O4    4   0.068451  -0.080122   0.068383
-    1SOL     H5    5   0.071805  -0.031688   0.150876
-    1SOL     H6    6   0.023317  -0.161654   0.090241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037169  -0.025659  -0.116259
-    0SOL     H2    2  -0.124122  -0.037490  -0.154489
-    0SOL     H3    3   0.009327  -0.106759  -0.136829
-    1SOL     O4    4   0.038049   0.031244   0.126268
-    1SOL     H5    5  -0.010208  -0.014044   0.057112
-    1SOL     H6    6   0.113049   0.070405   0.081504
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-Generated by ForceBalance from calcs/cluster-02/VLE/270K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079161   0.071254   0.087110
-    0SOL     H2    2   0.024598   0.099229   0.160612
-    0SOL     H3    3   0.017799   0.031109   0.025584
-    1SOL     O4    4  -0.065917  -0.068413  -0.086001
-    1SOL     H5    5  -0.135615  -0.011950  -0.119416
-    1SOL     H6    6  -0.105941  -0.155183  -0.080392
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055570  -0.117793   0.019363
-    0SOL     H2    2   0.008701  -0.139280   0.086963
-    0SOL     H3    3  -0.045936  -0.187204  -0.045841
-    1SOL     O4    4   0.057182   0.123918  -0.022158
-    1SOL     H5    5   0.002889   0.191529   0.018381
-    1SOL     H6    6   0.006761   0.043221  -0.011762
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033479   0.014491   0.133859
-    0SOL     H2    2   0.010728   0.000174   0.041991
-    0SOL     H3    3  -0.008209  -0.057972   0.180481
-    1SOL     O4    4  -0.026657  -0.013404  -0.127349
-    1SOL     H5    5   0.008661   0.072293  -0.151245
-    1SOL     H6    6  -0.111459  -0.017584  -0.171547
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069349   0.072442   0.082404
-    0SOL     H2    2   0.158458   0.106480   0.090358
-    0SOL     H3    3   0.027976   0.093716   0.166058
-    1SOL     O4    4  -0.075151  -0.080770  -0.085075
-    1SOL     H5    5  -0.065052  -0.049758  -0.175067
-    1SOL     H6    6  -0.028499  -0.016162  -0.032049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056561   0.115839  -0.008099
-    0SOL     H2    2  -0.014433   0.178273  -0.023068
-    0SOL     H3    3   0.133708   0.170420   0.007119
-    1SOL     O4    4  -0.056509  -0.129193   0.009334
-    1SOL     H5    5   0.008466  -0.060071   0.022086
-    1SOL     H6    6  -0.132913  -0.084000  -0.026476
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095549  -0.072966   0.056536
-    0SOL     H2    2   0.142777  -0.038616   0.132378
-    0SOL     H3    3   0.031650  -0.133835   0.093606
-    1SOL     O4    4  -0.096234   0.080101  -0.066586
-    1SOL     H5    5  -0.154917   0.008218  -0.043101
-    1SOL     H6    6  -0.011745   0.055360  -0.029011
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014701   0.016846  -0.138599
-    0SOL     H2    2   0.010358   0.014347  -0.043011
-    0SOL     H3    3  -0.072169  -0.011288  -0.167313
-    1SOL     O4    4  -0.010605  -0.014519   0.128609
-    1SOL     H5    5   0.054146   0.027231   0.185411
-    1SOL     H6    6  -0.061919  -0.069948   0.187404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019408  -0.115638  -0.061292
-    0SOL     H2    2   0.038983  -0.152937  -0.127334
-    0SOL     H3    3  -0.008418  -0.172193   0.015148
-    1SOL     O4    4   0.021749   0.123842   0.061638
-    1SOL     H5    5  -0.063816   0.162013   0.081230
-    1SOL     H6    6   0.002084   0.035341   0.030928
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140977   0.009585  -0.006666
-    0SOL     H2    2   0.155198  -0.051544   0.065606
-    0SOL     H3    3   0.047514   0.002476  -0.026073
-    1SOL     O4    4  -0.133754  -0.010120  -0.000800
-    1SOL     H5    5  -0.170884   0.075536  -0.021934
-    1SOL     H6    6  -0.143813  -0.017891   0.094072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112031  -0.044111   0.075036
-    0SOL     H2    2   0.030351  -0.017254   0.032971
-    0SOL     H3    3   0.176270  -0.045400   0.004085
-    1SOL     O4    4  -0.105601   0.038954  -0.065714
-    1SOL     H5    5  -0.195211   0.008179  -0.079328
-    1SOL     H6    6  -0.106274   0.129407  -0.097020
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005800   0.031810   0.138091
-    0SOL     H2    2   0.010379  -0.012190   0.054637
-    0SOL     H3    3  -0.101171   0.037012   0.144385
-    1SOL     O4    4   0.010708  -0.034581  -0.129118
-    1SOL     H5    5   0.082327   0.025182  -0.150597
-    1SOL     H6    6  -0.061367  -0.006998  -0.185746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037934  -0.059878   0.112399
-    0SOL     H2    2   0.097930  -0.134272   0.107077
-    0SOL     H3    3  -0.042438  -0.096459   0.149340
-    1SOL     O4    4  -0.036494   0.063120  -0.120370
-    1SOL     H5    5  -0.021009   0.027449  -0.032905
-    1SOL     H6    6  -0.054053   0.156053  -0.105625
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078633  -0.109514   0.042395
-    0SOL     H2    2  -0.167731  -0.078051   0.057687
-    0SOL     H3    3  -0.030980  -0.032508   0.011385
-    1SOL     O4    4   0.076564   0.097887  -0.038954
-    1SOL     H5    5   0.169059   0.111786  -0.018616
-    1SOL     H6    6   0.054822   0.167697  -0.100729
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057840   0.125175   0.042295
-    0SOL     H2    2   0.028384   0.037420   0.066661
-    0SOL     H3    3   0.030291   0.135302  -0.048814
-    1SOL     O4    4  -0.055927  -0.114283  -0.035605
-    1SOL     H5    5   0.014081  -0.135447  -0.097356
-    1SOL     H6    6  -0.100236  -0.197693  -0.020051
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032882   0.137180  -0.005840
-    0SOL     H2    2  -0.003044   0.049042   0.004326
-    0SOL     H3    3   0.019248   0.178627   0.079358
-    1SOL     O4    4  -0.026556  -0.129314  -0.001575
-    1SOL     H5    5   0.004623  -0.209738   0.039925
-    1SOL     H6    6  -0.121343  -0.140902  -0.008172
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054604   0.101956  -0.084627
-    0SOL     H2    2   0.016026   0.060105  -0.007669
-    0SOL     H3    3   0.006820   0.064664  -0.158710
-    1SOL     O4    4  -0.050453  -0.091140   0.087319
-    1SOL     H5    5  -0.118130  -0.153499   0.060984
-    1SOL     H6    6   0.031856  -0.132958   0.062045
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086109   0.084688   0.056605
-    0SOL     H2    2  -0.036595   0.148815   0.005629
-    0SOL     H3    3  -0.115180   0.132867   0.134039
-    1SOL     O4    4   0.082389  -0.096021  -0.062603
-    1SOL     H5    5   0.168827  -0.055419  -0.069102
-    1SOL     H6    6   0.043158  -0.056607   0.015307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054023  -0.006600   0.132092
-    0SOL     H2    2  -0.011761   0.002320   0.046671
-    0SOL     H3    3  -0.122933  -0.071547   0.118109
-    1SOL     O4    4   0.049851   0.009207  -0.122627
-    1SOL     H5    5   0.097278   0.090512  -0.140021
-    1SOL     H6    6   0.102869  -0.058846  -0.164103
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119755   0.072522  -0.026710
-    0SOL     H2    2   0.025128   0.059702  -0.020097
-    0SOL     H3    3   0.152203   0.058050   0.062172
-    1SOL     O4    4  -0.114879  -0.065099   0.017451
-    1SOL     H5    5  -0.145415  -0.149764  -0.015132
-    1SOL     H6    6  -0.109369  -0.076468   0.112333
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017938   0.040553  -0.136425
-    0SOL     H2    2   0.035551   0.034005  -0.042568
-    0SOL     H3    3   0.002245  -0.049678  -0.164251
-    1SOL     O4    4  -0.013290  -0.031614   0.129871
-    1SOL     H5    5  -0.093008   0.003845   0.169241
-    1SOL     H6    6  -0.020818  -0.126317   0.141575
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000519  -0.089151  -0.110805
-    0SOL     H2    2   0.090323  -0.094025  -0.140573
-    0SOL     H3    3   0.002525  -0.032650  -0.033599
-    1SOL     O4    4  -0.008760   0.088596   0.104076
-    1SOL     H5    5  -0.024743   0.028225   0.176617
-    1SOL     H6    6   0.084455   0.109442   0.110295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012319  -0.063390  -0.122061
-    0SOL     H2    2   0.015655   0.016860  -0.174130
-    0SOL     H3    3  -0.079863  -0.089132  -0.123525
-    1SOL     O4    4  -0.005568   0.059993   0.132306
-    1SOL     H5    5   0.004032  -0.005580   0.063238
-    1SOL     H6    6  -0.043921   0.135820   0.088244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018096  -0.130135   0.019831
-    0SOL     H2    2  -0.044309  -0.167792   0.081878
-    0SOL     H3    3   0.096686  -0.183973   0.029177
-    1SOL     O4    4  -0.024698   0.140022  -0.023837
-    1SOL     H5    5   0.066188   0.164467  -0.041285
-    1SOL     H6    6  -0.022002   0.045209  -0.010972
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.081039  -0.092022  -0.050575
-    0SOL     H2    2   0.047262  -0.168703  -0.096852
-    0SOL     H3    3   0.175966  -0.097127  -0.061764
-    1SOL     O4    4  -0.087436   0.097398   0.060154
-    1SOL     H5    5  -0.088212   0.160551  -0.011773
-    1SOL     H6    6  -0.036425   0.023610   0.026754
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108455  -0.002995   0.092202
-    0SOL     H2    2  -0.116089   0.080446   0.138480
-    0SOL     H3    3  -0.064926   0.019119   0.009871
-    1SOL     O4    4   0.102845   0.000859  -0.093784
-    1SOL     H5    5   0.157679   0.022069  -0.018248
-    1SOL     H6    6   0.108453  -0.094383  -0.101523
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020716  -0.053219  -0.132581
-    0SOL     H2    2  -0.011766  -0.019508  -0.049089
-    0SOL     H3    3   0.085659  -0.119175  -0.108198
-    1SOL     O4    4  -0.025522   0.053552   0.120941
-    1SOL     H5    5   0.037461   0.122814   0.140897
-    1SOL     H6    6  -0.032413   0.003268   0.202098
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070352   0.086877   0.089051
-    0SOL     H2    2  -0.089951   0.040943   0.170710
-    0SOL     H3    3  -0.035835   0.019018   0.031033
-    1SOL     O4    4   0.063506  -0.082379  -0.090541
-    1SOL     H5    5   0.134241  -0.110526  -0.032518
-    1SOL     H6    6   0.103679  -0.016447  -0.147121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031293  -0.006782   0.131684
-    0SOL     H2    2   0.020446  -0.087312   0.132214
-    0SOL     H3    3  -0.010825   0.035442   0.215114
-    1SOL     O4    4   0.029509   0.003650  -0.140298
-    1SOL     H5    5   0.010851   0.093438  -0.167729
-    1SOL     H6    6   0.005710   0.001437  -0.047611
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024159  -0.122893   0.071473
-    0SOL     H2    2   0.005499  -0.038640   0.037060
-    0SOL     H3    3  -0.103668  -0.102122   0.120556
-    1SOL     O4    4   0.027947   0.109627  -0.071287
-    1SOL     H5    5  -0.052118   0.160930  -0.060333
-    1SOL     H6    6   0.093906   0.173542  -0.098241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064578   0.120980   0.008091
-    0SOL     H2    2  -0.150125   0.081732  -0.009332
-    0SOL     H3    3  -0.070358   0.151988   0.098465
-    1SOL     O4    4   0.076329  -0.121035  -0.012187
-    1SOL     H5    5   0.011508  -0.189397  -0.029137
-    1SOL     H6    6   0.024535  -0.041702   0.001450
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014144   0.087376  -0.109733
-    0SOL     H2    2  -0.044381   0.054144  -0.041668
-    0SOL     H3    3  -0.044069   0.129507  -0.172967
-    1SOL     O4    4  -0.007541  -0.083083   0.104402
-    1SOL     H5    5  -0.064079  -0.084060   0.181634
-    1SOL     H6    6   0.044489  -0.163092   0.111735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016182   0.138833  -0.031826
-    0SOL     H2    2  -0.005160   0.053738   0.006459
-    0SOL     H3    3   0.010126   0.200262   0.041333
-    1SOL     O4    4  -0.008738  -0.133489   0.025217
-    1SOL     H5    5  -0.061513  -0.163077  -0.048956
-    1SOL     H6    6  -0.051577  -0.171592   0.101867
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003478   0.037313   0.141627
-    0SOL     H2    2   0.014630   0.025886   0.048333
-    0SOL     H3    3  -0.064920  -0.032925   0.162927
-    1SOL     O4    4   0.005443  -0.038363  -0.133397
-    1SOL     H5    5   0.077477  -0.010965  -0.190167
-    1SOL     H6    6  -0.056478   0.034573  -0.136304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092399  -0.111838  -0.015230
-    0SOL     H2    2  -0.033170  -0.036652  -0.016361
-    0SOL     H3    3  -0.042200  -0.181294   0.027411
-    1SOL     O4    4   0.081042   0.109185   0.008445
-    1SOL     H5    5   0.075051   0.128200   0.102066
-    1SOL     H6    6   0.171999   0.128575  -0.014209
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041135  -0.126539  -0.035790
-    0SOL     H2    2   0.136577  -0.129938  -0.029346
-    0SOL     H3    3   0.010814  -0.199388   0.018395
-    1SOL     O4    4  -0.043473   0.136808   0.031998
-    1SOL     H5    5   0.006128   0.064173  -0.005768
-    1SOL     H6    6  -0.116560   0.094901   0.077434
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093977  -0.082955   0.072590
-    0SOL     H2    2  -0.170828  -0.034389   0.102551
-    0SOL     H3    3  -0.035128  -0.015825   0.038053
-    1SOL     O4    4   0.090487   0.072070  -0.073251
-    1SOL     H5    5   0.167531   0.064921  -0.016900
-    1SOL     H6    6   0.099132   0.157790  -0.114961
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-    6
-    0SOL     O1    1   0.036996   0.092574  -0.098349
-    0SOL     H2    2   0.065958   0.166149  -0.044402
-    0SOL     H3    3  -0.049973   0.118132  -0.129098
-    1SOL     O4    4  -0.035537  -0.105648   0.097667
-    1SOL     H5    5  -0.004725  -0.043781   0.163888
-    1SOL     H6    6  -0.041071  -0.053979   0.017280
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109661  -0.061098   0.053964
-    0SOL     H2    2   0.142952  -0.150109   0.042515
-    0SOL     H3    3   0.187935  -0.006003   0.053864
-    1SOL     O4    4  -0.122165   0.059732  -0.054091
-    1SOL     H5    5  -0.103315   0.152856  -0.065707
-    1SOL     H6    6  -0.038007   0.021040  -0.029951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108784   0.082089   0.020729
-    0SOL     H2    2  -0.201147   0.090348   0.044461
-    0SOL     H3    3  -0.100363   0.131840  -0.060611
-    1SOL     O4    4   0.116734  -0.089188  -0.013281
-    1SOL     H5    5   0.139426  -0.068802  -0.104010
-    1SOL     H6    6   0.035396  -0.041245   0.002466
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013604  -0.067667  -0.129547
-    0SOL     H2    2   0.000905  -0.022835  -0.046229
-    0SOL     H3    3   0.061447  -0.042865  -0.183533
-    1SOL     O4    4   0.009632   0.066504   0.122079
-    1SOL     H5    5   0.049973   0.081279   0.207616
-    1SOL     H6    6  -0.056522  -0.000809   0.138051
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052689   0.021015  -0.133991
-    0SOL     H2    2  -0.019494  -0.020093  -0.054175
-    0SOL     H3    3  -0.065639  -0.051723  -0.194849
-    1SOL     O4    4   0.054806  -0.016276   0.127662
-    1SOL     H5    5   0.076875   0.059585   0.181702
-    1SOL     H6    6  -0.023103  -0.053393   0.169074
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085674  -0.101375  -0.039022
-    0SOL     H2    2   0.050340  -0.188355  -0.057686
-    0SOL     H3    3   0.160018  -0.117625   0.019040
-    1SOL     O4    4  -0.087711   0.114254   0.035684
-    1SOL     H5    5  -0.024934   0.046544   0.010452
-    1SOL     H6    6  -0.158334   0.066488   0.079195
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052595   0.096028   0.085334
-    0SOL     H2    2   0.086328   0.163418   0.026316
-    0SOL     H3    3   0.034401   0.142554   0.166983
-    1SOL     O4    4  -0.059115  -0.104459  -0.089944
-    1SOL     H5    5   0.025380  -0.149002  -0.083712
-    1SOL     H6    6  -0.048441  -0.025266  -0.037247
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124888  -0.037485   0.049433
-    0SOL     H2    2  -0.124090  -0.033218   0.145054
-    0SOL     H3    3  -0.203875   0.010197   0.023940
-    1SOL     O4    4   0.135271   0.032239  -0.050723
-    1SOL     H5    5   0.045175   0.019116  -0.021179
-    1SOL     H6    6   0.126995   0.084436  -0.130530
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110569  -0.100520   0.000575
-    0SOL     H2    2   0.047798  -0.028358   0.004415
-    0SOL     H3    3   0.057363  -0.179249   0.012114
-    1SOL     O4    4  -0.098314   0.100182   0.001980
-    1SOL     H5    5  -0.109604   0.138027  -0.085213
-    1SOL     H6    6  -0.185963   0.070945   0.026985
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053544   0.117457   0.074688
-    0SOL     H2    2   0.148281   0.104427   0.078866
-    0SOL     H3    3   0.019019   0.033235   0.045074
-    1SOL     O4    4  -0.051492  -0.108610  -0.070959
-    1SOL     H5    5  -0.099450  -0.180090  -0.029091
-    1SOL     H6    6  -0.100479  -0.090606  -0.151199
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030459   0.136088  -0.054969
-    0SOL     H2    2   0.008530   0.045040  -0.035178
-    0SOL     H3    3   0.081571   0.165405   0.020465
-    1SOL     O4    4  -0.027326  -0.128973   0.046668
-    1SOL     H5    5  -0.097208  -0.100487   0.105552
-    1SOL     H6    6  -0.039997  -0.223484   0.038339
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037460   0.053472   0.133587
-    0SOL     H2    2   0.008780   0.019663   0.048754
-    0SOL     H3    3   0.071310  -0.023223   0.179787
-    1SOL     O4    4  -0.031014  -0.047116  -0.130170
-    1SOL     H5    5  -0.092961   0.022183  -0.153027
-    1SOL     H6    6  -0.082806  -0.127557  -0.133189
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139221   0.044837   0.022124
-    0SOL     H2    2   0.152221   0.123809   0.074630
-    0SOL     H3    3   0.045137   0.027933   0.027093
-    1SOL     O4    4  -0.130013  -0.044795  -0.029770
-    1SOL     H5    5  -0.125818  -0.138033  -0.008521
-    1SOL     H6    6  -0.206579  -0.012738   0.017899
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077199   0.112237   0.036175
-    0SOL     H2    2  -0.091952   0.131705   0.128726
-    0SOL     H3    3  -0.163247   0.122412  -0.004502
-    1SOL     O4    4   0.088613  -0.113005  -0.043590
-    1SOL     H5    5   0.065757  -0.193559   0.002789
-    1SOL     H6    6   0.021602  -0.050092  -0.016874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050008   0.129187   0.027439
-    0SOL     H2    2  -0.053796   0.197679   0.094199
-    0SOL     H3    3  -0.045188   0.176747  -0.055490
-    1SOL     O4    4   0.051464  -0.140081  -0.021637
-    1SOL     H5    5   0.076518  -0.144003  -0.113936
-    1SOL     H6    6  -0.000282  -0.059898  -0.014202
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011861  -0.129938   0.056268
-    0SOL     H2    2   0.005708  -0.123449   0.150138
-    0SOL     H3    3  -0.086995  -0.188905   0.049935
-    1SOL     O4    4   0.018070   0.138340  -0.056643
-    1SOL     H5    5   0.000518   0.046708  -0.035250
-    1SOL     H6    6  -0.006502   0.146604  -0.148786
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116057   0.097334  -0.022987
-    0SOL     H2    2   0.035724   0.054381   0.006407
-    0SOL     H3    3   0.174904   0.025298  -0.045576
-    1SOL     O4    4  -0.110925  -0.086610   0.027238
-    1SOL     H5    5  -0.199120  -0.070218  -0.006159
-    1SOL     H6    6  -0.084600  -0.168931  -0.013901
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.129604  -0.038821   0.046750
-    0SOL     H2    2   0.161767  -0.127052   0.028225
-    0SOL     H3    3   0.205668   0.007605   0.081697
-    1SOL     O4    4  -0.140549   0.040758  -0.053490
-    1SOL     H5    5  -0.148569   0.090575   0.027850
-    1SOL     H6    6  -0.056698  -0.004730  -0.045604
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112182  -0.099875   0.036706
-    0SOL     H2    2   0.036628  -0.045192   0.015175
-    0SOL     H3    3   0.185932  -0.057131  -0.006839
-    1SOL     O4    4  -0.112942   0.096026  -0.026584
-    1SOL     H5    5  -0.148789   0.021566  -0.074885
-    1SOL     H6    6  -0.062338   0.144711  -0.091633
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042079  -0.147562  -0.034209
-    0SOL     H2    2  -0.047191  -0.118849  -0.015006
-    0SOL     H3    3   0.096899  -0.072568  -0.011121
-    1SOL     O4    4  -0.034803   0.139671   0.027497
-    1SOL     H5    5  -0.031993   0.169778   0.118315
-    1SOL     H6    6  -0.128011   0.137424   0.005831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095777   0.091339  -0.075478
-    0SOL     H2    2  -0.165771   0.148275  -0.043519
-    0SOL     H3    3  -0.054615   0.057066   0.003853
-    1SOL     O4    4   0.097735  -0.093307   0.061750
-    1SOL     H5    5   0.055376  -0.154246   0.122202
-    1SOL     H6    6   0.134784  -0.025418   0.118148
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.064023   0.097393   0.100832
-    0SOL     H2    2   0.042174   0.045464   0.023448
-    0SOL     H3    3   0.140379   0.148757   0.074490
-    1SOL     O4    4  -0.068727  -0.094716  -0.088158
-    1SOL     H5    5   0.002681  -0.151654  -0.116814
-    1SOL     H6    6  -0.123339  -0.083690  -0.165994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068460   0.109445   0.088755
-    0SOL     H2    2   0.046998   0.044682   0.021618
-    0SOL     H3    3   0.027839   0.075641   0.168565
-    1SOL     O4    4  -0.067422  -0.102127  -0.083211
-    1SOL     H5    5  -0.036587  -0.047814  -0.155748
-    1SOL     H6    6  -0.060064  -0.191891  -0.115627
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015688   0.101960  -0.116649
-    0SOL     H2    2   0.015260   0.035947  -0.054625
-    0SOL     H3    3   0.053412   0.168191  -0.117672
-    1SOL     O4    4   0.015426  -0.099040   0.110080
-    1SOL     H5    5  -0.056002  -0.050457   0.151312
-    1SOL     H6    6  -0.008371  -0.191043   0.121547
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125191  -0.012549  -0.084169
-    0SOL     H2    2   0.123361  -0.105492  -0.106988
-    0SOL     H3    3   0.106831   0.032736  -0.166475
-    1SOL     O4    4  -0.127995   0.009406   0.089004
-    1SOL     H5    5  -0.041569   0.029445   0.053071
-    1SOL     H6    6  -0.148526   0.084113   0.145215
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055439  -0.137598   0.055829
-    0SOL     H2    2  -0.011206  -0.207606   0.007822
-    0SOL     H3    3  -0.033685  -0.057894   0.007493
-    1SOL     O4    4   0.055329   0.134414  -0.045448
-    1SOL     H5    5   0.057928   0.127838  -0.140906
-    1SOL     H6    6  -0.021618   0.188343  -0.027194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037679   0.102726   0.113837
-    0SOL     H2    2  -0.016287   0.057448   0.032261
-    0SOL     H3    3  -0.050275   0.194032   0.088014
-    1SOL     O4    4   0.034197  -0.098847  -0.107567
-    1SOL     H5    5  -0.008431  -0.182981  -0.091238
-    1SOL     H6    6   0.125519  -0.121281  -0.125438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093713  -0.111363  -0.041368
-    0SOL     H2    2  -0.058038  -0.118392  -0.129913
-    0SOL     H3    3  -0.188348  -0.119986  -0.052869
-    1SOL     O4    4   0.098744   0.116944   0.042610
-    1SOL     H5    5   0.133306   0.107969   0.131420
-    1SOL     H6    6   0.036261   0.044969   0.033786
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055146  -0.061102  -0.138613
-    0SOL     H2    2  -0.052842   0.000715  -0.065567
-    0SOL     H3    3  -0.126152  -0.029555  -0.194518
-    1SOL     O4    4   0.058990   0.051392   0.132367
-    1SOL     H5    5   0.036337   0.035580   0.224014
-    1SOL     H6    6   0.076602   0.145370   0.127869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075340   0.021939   0.138426
-    0SOL     H2    2   0.003983   0.071770   0.118748
-    0SOL     H3    3  -0.120428   0.073895   0.204984
-    1SOL     O4    4   0.074495  -0.024485  -0.147224
-    1SOL     H5    5   0.092277   0.011708  -0.060413
-    1SOL     H6    6   0.040867  -0.112456  -0.130121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073266  -0.066330  -0.133400
-    0SOL     H2    2  -0.063702   0.007315  -0.193793
-    0SOL     H3    3   0.011800  -0.072996  -0.090021
-    1SOL     O4    4   0.067680   0.059959   0.127858
-    1SOL     H5    5   0.132551   0.037956   0.194717
-    1SOL     H6    6   0.008280   0.121182   0.171283
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036993   0.023612   0.162054
-    0SOL     H2    2   0.012130   0.035487   0.070385
-    0SOL     H3    3   0.100055   0.093582   0.179074
-    1SOL     O4    4  -0.041374  -0.029907  -0.151368
-    1SOL     H5    5   0.022038   0.036879  -0.177462
-    1SOL     H6    6  -0.069240  -0.070010  -0.233694
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079785   0.150712  -0.012647
-    0SOL     H2    2   0.145828   0.084489   0.007730
-    0SOL     H3    3  -0.002604   0.102119  -0.016272
-    1SOL     O4    4  -0.075201  -0.140857   0.006493
-    1SOL     H5    5  -0.143708  -0.205837  -0.009214
-    1SOL     H6    6  -0.071350  -0.132598   0.101778
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034106  -0.096217  -0.130073
-    0SOL     H2    2   0.002614  -0.064955  -0.212757
-    0SOL     H3    3  -0.110447  -0.040445  -0.115107
-    1SOL     O4    4   0.035031   0.091262   0.140623
-    1SOL     H5    5   0.113191   0.057450   0.096918
-    1SOL     H6    6  -0.019903   0.124174   0.069480
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025958  -0.011108   0.169753
-    0SOL     H2    2  -0.088291  -0.083296   0.177867
-    0SOL     H3    3   0.040790  -0.029493   0.235852
-    1SOL     O4    4   0.028027   0.022771  -0.173107
-    1SOL     H5    5  -0.018706  -0.020677  -0.244456
-    1SOL     H6    6   0.040263  -0.045630  -0.107274
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046864  -0.111243   0.135504
-    0SOL     H2    2   0.132943  -0.084049   0.103671
-    0SOL     H3    3   0.010482  -0.032706   0.176377
-    1SOL     O4    4  -0.055126   0.103306  -0.133288
-    1SOL     H5    5   0.028177   0.121376  -0.089739
-    1SOL     H6    6  -0.036821   0.116112  -0.226364
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110555  -0.131956   0.044738
-    0SOL     H2    2   0.053528  -0.160493   0.116124
-    0SOL     H3    3   0.199260  -0.143582   0.078774
-    1SOL     O4    4  -0.108604   0.139226  -0.047756
-    1SOL     H5    5  -0.091870   0.045600  -0.036962
-    1SOL     H6    6  -0.187222   0.143434  -0.102196
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099094  -0.101290   0.129937
-    0SOL     H2    2   0.086252  -0.092348   0.035505
-    0SOL     H3    3   0.030835  -0.046535   0.168731
-    1SOL     O4    4  -0.093991   0.104336  -0.125784
-    1SOL     H5    5  -0.173393   0.050905  -0.124086
-    1SOL     H6    6  -0.023513   0.042031  -0.143480
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107707   0.137741  -0.094703
-    0SOL     H2    2  -0.120933   0.199456  -0.022740
-    0SOL     H3    3  -0.120634   0.051564  -0.055096
-    1SOL     O4    4   0.102600  -0.135919   0.087227
-    1SOL     H5    5   0.171424  -0.076023   0.058277
-    1SOL     H6    6   0.148997  -0.204097   0.135820
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080892  -0.147346  -0.117073
-    0SOL     H2    2  -0.085430  -0.072699  -0.176818
-    0SOL     H3    3  -0.148044  -0.207678  -0.148903
-    1SOL     O4    4   0.089327   0.142930   0.118725
-    1SOL     H5    5   0.099797   0.233968   0.146379
-    1SOL     H6    6   0.009396   0.113603   0.162467
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003877  -0.147775   0.157427
-    0SOL     H2    2   0.098666  -0.149784   0.170592
-    0SOL     H3    3  -0.015942  -0.055827   0.139673
-    1SOL     O4    4  -0.006069   0.143280  -0.150697
-    1SOL     H5    5   0.012544   0.187791  -0.233368
-    1SOL     H6    6  -0.065906   0.072464  -0.174510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043546  -0.115714   0.174287
-    0SOL     H2    2   0.008618  -0.113212   0.263372
-    0SOL     H3    3   0.053224  -0.208953   0.154914
-    1SOL     O4    4  -0.043384   0.124940  -0.173205
-    1SOL     H5    5   0.028924   0.062681  -0.180799
-    1SOL     H6    6  -0.091710   0.115726  -0.255314
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002932  -0.191317  -0.139352
-    0SOL     H2    2  -0.091559  -0.198637  -0.125924
-    0SOL     H3    3   0.039050  -0.270451  -0.099409
-    1SOL     O4    4  -0.001257   0.192363   0.141158
-    1SOL     H5    5   0.005402   0.170019   0.048321
-    1SOL     H6    6   0.016878   0.286287   0.144597
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063036  -0.234743   0.041966
-    0SOL     H2    2   0.067409  -0.197136  -0.045949
-    0SOL     H3    3  -0.013987  -0.194074   0.081661
-    1SOL     O4    4  -0.062850   0.225029  -0.040504
-    1SOL     H5    5   0.031939   0.217867  -0.029276
-    1SOL     H6    6  -0.081165   0.318485  -0.030868
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033977  -0.140916   0.201651
-    0SOL     H2    2   0.013572  -0.067148   0.259133
-    0SOL     H3    3   0.129616  -0.142995   0.198307
-    1SOL     O4    4  -0.035300   0.133028  -0.200027
-    1SOL     H5    5  -0.067292   0.222268  -0.186800
-    1SOL     H6    6  -0.051411   0.115246  -0.292691
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061570   0.289384  -0.133067
-    0SOL     H2    2  -0.001536   0.220565  -0.104391
-    0SOL     H3    3  -0.119324   0.246164  -0.195986
-    1SOL     O4    4   0.063745  -0.277549   0.132881
-    1SOL     H5    5   0.112259  -0.349518   0.173244
-    1SOL     H6    6  -0.025861  -0.310326   0.125227
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023558   0.275176   0.173210
-    0SOL     H2    2   0.090574   0.332644   0.210203
-    0SOL     H3    3  -0.024270   0.330646   0.111583
-    1SOL     O4    4  -0.027318  -0.286850  -0.175449
-    1SOL     H5    5  -0.071377  -0.244047  -0.102039
-    1SOL     H6    6   0.059550  -0.246728  -0.177998
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042491  -0.338931  -0.016110
-    0SOL     H2    2   0.009245  -0.302556  -0.098170
-    0SOL     H3    3  -0.033173  -0.338976   0.042518
-    1SOL     O4    4  -0.039153   0.343194   0.018254
-    1SOL     H5    5  -0.053492   0.283602  -0.055268
-    1SOL     H6    6   0.018923   0.295062   0.077185
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097152  -0.267690   0.303653
-    0SOL     H2    2   0.019565  -0.323722   0.305391
-    0SOL     H3    3   0.161064  -0.313497   0.358235
-    1SOL     O4    4  -0.091374   0.278293  -0.305709
-    1SOL     H5    5  -0.080056   0.192088  -0.345745
-    1SOL     H6    6  -0.184379   0.282390  -0.283447
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/270K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.142334  -0.422236   0.094213
-    0SOL     H2    2   0.201713  -0.363351   0.140786
-    0SOL     H3    3   0.136912  -0.385879   0.005833
-    1SOL     O4    4  -0.144375   0.417659  -0.098039
-    1SOL     H5    5  -0.184899   0.476142  -0.034009
-    1SOL     H6    6  -0.124489   0.338103  -0.048666
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099907  -0.069679   0.022094
-    0SOL     H2    2  -0.079229  -0.114531   0.104089
-    0SOL     H3    3  -0.141293  -0.136781  -0.032190
-    1SOL     O4    4   0.106413   0.079666  -0.019975
-    1SOL     H5    5   0.109659   0.044953  -0.109120
-    1SOL     H6    6   0.018773   0.057266   0.011326
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111237   0.026075   0.049460
-    0SOL     H2    2  -0.119143  -0.050032   0.106970
-    0SOL     H3    3  -0.141164   0.099690   0.102823
-    1SOL     O4    4   0.119179  -0.027636  -0.052627
-    1SOL     H5    5   0.028243  -0.019347  -0.023918
-    1SOL     H6    6   0.116564  -0.008651  -0.146409
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021092  -0.030998   0.126411
-    0SOL     H2    2   0.094644  -0.086754   0.151783
-    0SOL     H3    3   0.037403  -0.010139   0.034426
-    1SOL     O4    4  -0.019023   0.033172  -0.123899
-    1SOL     H5    5  -0.080604   0.102444  -0.099993
-    1SOL     H6    6  -0.072944  -0.045638  -0.130519
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.114396   0.012494  -0.045590
-    0SOL     H2    2  -0.141355   0.059583  -0.124445
-    0SOL     H3    3  -0.196547  -0.012246  -0.003147
-    1SOL     O4    4   0.125996  -0.016228   0.044204
-    1SOL     H5    5   0.037557  -0.005962   0.009055
-    1SOL     H6    6   0.120006   0.016140   0.134086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125566   0.015848  -0.053807
-    0SOL     H2    2   0.169192   0.028627   0.030430
-    0SOL     H3    3   0.032269   0.014033  -0.032483
-    1SOL     O4    4  -0.116695  -0.018462   0.043891
-    1SOL     H5    5  -0.207511  -0.035483   0.018891
-    1SOL     H6    6  -0.123166   0.031318   0.125392
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006986  -0.026261   0.126031
-    0SOL     H2    2  -0.049686  -0.088261   0.171929
-    0SOL     H3    3  -0.022509   0.059795   0.155809
-    1SOL     O4    4  -0.008040   0.023688  -0.134527
-    1SOL     H5    5   0.071660   0.071544  -0.157333
-    1SOL     H6    6   0.004195  -0.001003  -0.042859
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.134822   0.019286   0.020624
-    0SOL     H2    2   0.178998  -0.052539  -0.024675
-    0SOL     H3    3   0.041687   0.004115   0.004562
-    1SOL     O4    4  -0.125348  -0.015286  -0.013961
-    1SOL     H5    5  -0.208444  -0.056628   0.009454
-    1SOL     H6    6  -0.148062   0.046656  -0.083312
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069192   0.091568   0.077053
-    0SOL     H2    2   0.029039   0.032077   0.013721
-    0SOL     H3    3   0.086976   0.036788   0.153507
-    1SOL     O4    4  -0.062781  -0.081816  -0.075365
-    1SOL     H5    5  -0.155024  -0.056487  -0.078828
-    1SOL     H6    6  -0.060627  -0.169805  -0.112989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039580  -0.029575  -0.129767
-    0SOL     H2    2  -0.007916   0.000925  -0.044741
-    0SOL     H3    3  -0.046677  -0.124539  -0.120077
-    1SOL     O4    4   0.033820   0.030667   0.120876
-    1SOL     H5    5   0.049015   0.121180   0.148057
-    1SOL     H6    6   0.104012  -0.019092   0.162822
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095028   0.044972  -0.088830
-    0SOL     H2    2  -0.018293   0.011499  -0.042421
-    0SOL     H3    3  -0.058939   0.100409  -0.158015
-    1SOL     O4    4   0.083044  -0.048886   0.086298
-    1SOL     H5    5   0.171820  -0.031018   0.055283
-    1SOL     H6    6   0.084824  -0.025301   0.179049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055262  -0.081684  -0.086129
-    0SOL     H2    2   0.142970  -0.116472  -0.102234
-    0SOL     H3    3   0.004930  -0.156937  -0.055048
-    1SOL     O4    4  -0.055211   0.088694   0.091754
-    1SOL     H5    5  -0.135506   0.124639   0.054030
-    1SOL     H6    6  -0.013500   0.041986   0.019360
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033551  -0.071771  -0.106836
-    0SOL     H2    2   0.000731  -0.156057  -0.077124
-    0SOL     H3    3   0.026271  -0.044743  -0.176501
-    1SOL     O4    4   0.031511   0.072855   0.114300
-    1SOL     H5    5   0.016776   0.029186   0.030406
-    1SOL     H6    6  -0.016332   0.155447   0.107095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096053  -0.084040   0.014554
-    0SOL     H2    2  -0.129005  -0.146773  -0.049797
-    0SOL     H3    3  -0.142840  -0.105599   0.095229
-    1SOL     O4    4   0.099543   0.095622  -0.013451
-    1SOL     H5    5   0.047259   0.016307  -0.001705
-    1SOL     H6    6   0.175439   0.067026  -0.064286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105753  -0.081657  -0.036980
-    0SOL     H2    2   0.030715  -0.038619   0.004001
-    0SOL     H3    3   0.109620  -0.167820   0.004534
-    1SOL     O4    4  -0.096977   0.088714   0.031056
-    1SOL     H5    5  -0.169772   0.062524  -0.025312
-    1SOL     H6    6  -0.106061   0.033906   0.109004
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101833   0.041145   0.073587
-    0SOL     H2    2   0.179419   0.050353   0.018288
-    0SOL     H3    3   0.128345  -0.020206   0.142110
-    1SOL     O4    4  -0.108137  -0.044803  -0.076152
-    1SOL     H5    5  -0.041306  -0.001633  -0.022933
-    1SOL     H6    6  -0.171386   0.024270  -0.095920
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043645  -0.007238  -0.132767
-    0SOL     H2    2  -0.039529   0.076550  -0.178865
-    0SOL     H3    3  -0.026335   0.014845  -0.041251
-    1SOL     O4    4   0.043315  -0.001400   0.123880
-    1SOL     H5    5  -0.024191  -0.020955   0.188864
-    1SOL     H6    6   0.096647   0.066927   0.164493
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019858  -0.038955  -0.123455
-    0SOL     H2    2   0.018363  -0.134127  -0.113332
-    0SOL     H3    3   0.068919  -0.024190  -0.204309
-    1SOL     O4    4  -0.023162   0.037436   0.131640
-    1SOL     H5    5  -0.025654   0.127999   0.162535
-    1SOL     H6    6  -0.013710   0.044730   0.036667
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054844  -0.116404   0.024760
-    0SOL     H2    2   0.143004  -0.122479   0.061547
-    0SOL     H3    3   0.049209  -0.189892  -0.036315
-    1SOL     O4    4  -0.056740   0.125004  -0.027981
-    1SOL     H5    5  -0.032062   0.038016   0.003428
-    1SOL     H6    6  -0.135136   0.147295   0.022214
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051694  -0.054155   0.120662
-    0SOL     H2    2  -0.083806  -0.138761   0.089468
-    0SOL     H3    3  -0.038070  -0.002815   0.041032
-    1SOL     O4    4   0.051376   0.053099  -0.107257
-    1SOL     H5    5   0.023301   0.025855  -0.194618
-    1SOL     H6    6   0.104199   0.131478  -0.122381
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.138047   0.029489  -0.028338
-    0SOL     H2    2  -0.056893  -0.020152  -0.017744
-    0SOL     H3    3  -0.115025   0.118838  -0.002861
-    1SOL     O4    4   0.129236  -0.026448   0.022251
-    1SOL     H5    5   0.173789  -0.016673   0.106404
-    1SOL     H6    6   0.128655  -0.120815   0.006222
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018516   0.018647  -0.130847
-    0SOL     H2    2  -0.015444  -0.055596  -0.191187
-    0SOL     H3    3   0.049744   0.077943  -0.162260
-    1SOL     O4    4   0.011984  -0.013234   0.140601
-    1SOL     H5    5   0.077060  -0.080814   0.159583
-    1SOL     H6    6  -0.009375  -0.025780   0.048142
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120772   0.025214  -0.066284
-    0SOL     H2    2   0.203663  -0.013071  -0.037551
-    0SOL     H3    3   0.055450  -0.011524  -0.006739
-    1SOL     O4    4  -0.124105  -0.018671   0.055395
-    1SOL     H5    5  -0.104471  -0.109480   0.078430
-    1SOL     H6    6  -0.104600   0.031001   0.134859
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112852   0.022692  -0.084090
-    0SOL     H2    2   0.040036  -0.006403  -0.029195
-    0SOL     H3    3   0.175024   0.061827  -0.022727
-    1SOL     O4    4  -0.105391  -0.025238   0.079007
-    1SOL     H5    5  -0.138181   0.063538   0.064654
-    1SOL     H6    6  -0.181161  -0.081618   0.063437
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031328  -0.081910   0.112255
-    0SOL     H2    2  -0.019985  -0.025291   0.035914
-    0SOL     H3    3  -0.010609  -0.025835   0.187012
-    1SOL     O4    4   0.024460   0.078966  -0.108552
-    1SOL     H5    5   0.018652   0.054466  -0.200901
-    1SOL     H6    6   0.107723   0.042045  -0.079118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071514  -0.041651  -0.105261
-    0SOL     H2    2   0.060672  -0.136522  -0.111912
-    0SOL     H3    3   0.158028  -0.024710  -0.142552
-    1SOL     O4    4  -0.078680   0.040646   0.110524
-    1SOL     H5    5  -0.086144   0.130851   0.141662
-    1SOL     H6    6  -0.024654   0.046842   0.031752
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042089   0.123107   0.027611
-    0SOL     H2    2   0.125261   0.128841   0.074641
-    0SOL     H3    3   0.019345   0.213974   0.007908
-    1SOL     O4    4  -0.044594  -0.130027  -0.035705
-    1SOL     H5    5  -0.071299  -0.193261   0.031008
-    1SOL     H6    6  -0.043247  -0.045974   0.010071
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093567  -0.068271   0.073690
-    0SOL     H2    2  -0.184046  -0.037153   0.076444
-    0SOL     H3    3  -0.095288  -0.141661   0.012264
-    1SOL     O4    4   0.104635   0.072409  -0.067606
-    1SOL     H5    5   0.081249   0.067949  -0.160318
-    1SOL     H6    6   0.024654   0.047223  -0.021443
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022013   0.035696   0.137702
-    0SOL     H2    2  -0.012509  -0.009928   0.060962
-    0SOL     H3    3   0.023372  -0.030789   0.206552
-    1SOL     O4    4  -0.013526  -0.029205  -0.136853
-    1SOL     H5    5  -0.068432   0.049051  -0.141733
-    1SOL     H6    6  -0.075582  -0.102084  -0.136616
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042305  -0.088749   0.097145
-    0SOL     H2    2  -0.033360  -0.045060   0.181842
-    0SOL     H3    3   0.018186  -0.162785   0.101824
-    1SOL     O4    4   0.041168   0.087677  -0.107433
-    1SOL     H5    5   0.025152   0.180702  -0.091555
-    1SOL     H6    6   0.008423   0.043931  -0.028843
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098887  -0.063421   0.075040
-    0SOL     H2    2  -0.159020  -0.095553   0.007855
-    0SOL     H3    3  -0.146182   0.008288   0.117269
-    1SOL     O4    4   0.106981   0.067896  -0.072271
-    1SOL     H5    5   0.048702   0.012810  -0.020009
-    1SOL     H6    6   0.129628   0.013838  -0.147950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059889   0.027342  -0.123260
-    0SOL     H2    2  -0.083005   0.119782  -0.132361
-    0SOL     H3    3  -0.141612  -0.015426  -0.097677
-    1SOL     O4    4   0.073181  -0.030733   0.124377
-    1SOL     H5    5   0.038295  -0.008750   0.037994
-    1SOL     H6    6  -0.004324  -0.047205   0.178079
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123158  -0.060360   0.025051
-    0SOL     H2    2   0.214206  -0.033994   0.011730
-    0SOL     H3    3   0.098910  -0.104800  -0.056186
-    1SOL     O4    4  -0.130026   0.058458  -0.024672
-    1SOL     H5    5  -0.158921   0.137634   0.020698
-    1SOL     H6    6  -0.050054   0.032435   0.021040
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089542  -0.115003  -0.002651
-    0SOL     H2    2  -0.040363  -0.033236   0.004962
-    0SOL     H3    3  -0.175302  -0.088426  -0.035836
-    1SOL     O4    4   0.085490   0.109657   0.005312
-    1SOL     H5    5   0.129710   0.129334  -0.077270
-    1SOL     H6    6   0.155217   0.078582   0.063060
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140282  -0.040420  -0.017888
-    0SOL     H2    2   0.130043  -0.134917  -0.006585
-    0SOL     H3    3   0.053576  -0.004471   0.000876
-    1SOL     O4    4  -0.133446   0.040653   0.022971
-    1SOL     H5    5  -0.116063   0.130109  -0.006316
-    1SOL     H6    6  -0.172978  -0.002199  -0.052945
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134341  -0.054236  -0.030921
-    0SOL     H2    2  -0.043034  -0.032857  -0.011728
-    0SOL     H3    3  -0.182385   0.026306  -0.011760
-    1SOL     O4    4   0.126890   0.044578   0.031767
-    1SOL     H5    5   0.184815   0.009217  -0.035735
-    1SOL     H6    6   0.154056   0.135866   0.041289
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094920  -0.082288  -0.067149
-    0SOL     H2    2  -0.080587  -0.043134  -0.153310
-    0SOL     H3    3  -0.036624  -0.158186  -0.065279
-    1SOL     O4    4   0.094592   0.082150   0.077474
-    1SOL     H5    5   0.014625   0.042628   0.042751
-    1SOL     H6    6   0.109173   0.159109   0.022456
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033085  -0.124623   0.072049
-    0SOL     H2    2   0.001627  -0.043524   0.034895
-    0SOL     H3    3  -0.091335  -0.159037   0.004336
-    1SOL     O4    4   0.038154   0.118419  -0.062567
-    1SOL     H5    5   0.003519   0.099991  -0.149878
-    1SOL     H6    6   0.006741   0.206560  -0.042399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004015  -0.123876  -0.067069
-    0SOL     H2    2  -0.068301  -0.186521  -0.064194
-    0SOL     H3    3  -0.006065  -0.079433  -0.151245
-    1SOL     O4    4  -0.002817   0.130615   0.069958
-    1SOL     H5    5   0.077895   0.122224   0.120728
-    1SOL     H6    6  -0.025567   0.040770   0.046031
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043855   0.078665   0.117303
-    0SOL     H2    2  -0.026075   0.020141   0.043675
-    0SOL     H3    3  -0.098259   0.148114   0.080163
-    1SOL     O4    4   0.042122  -0.077433  -0.104941
-    1SOL     H5    5   0.100930  -0.024911  -0.159212
-    1SOL     H6    6   0.044220  -0.164517  -0.144618
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.141080  -0.043483   0.008129
-    0SOL     H2    2   0.131597  -0.125025   0.057355
-    0SOL     H3    3   0.057757  -0.033404  -0.037894
-    1SOL     O4    4  -0.132154   0.048051  -0.002018
-    1SOL     H5    5  -0.158469  -0.033058  -0.045506
-    1SOL     H6    6  -0.165112   0.117588  -0.058945
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054301  -0.100637   0.077226
-    0SOL     H2    2  -0.066714  -0.165729   0.008151
-    0SOL     H3    3  -0.091260  -0.141410   0.155545
-    1SOL     O4    4   0.055813   0.113191  -0.076335
-    1SOL     H5    5   0.132047   0.078357  -0.122566
-    1SOL     H6    6   0.003157   0.036057  -0.055357
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078538  -0.084927   0.083589
-    0SOL     H2    2   0.085212  -0.057688   0.175109
-    0SOL     H3    3  -0.002639  -0.135480   0.079454
-    1SOL     O4    4  -0.081298   0.087079  -0.086666
-    1SOL     H5    5  -0.033729   0.127146  -0.159426
-    1SOL     H6    6  -0.015819   0.033670  -0.041696
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059242   0.133088   0.004808
-    0SOL     H2    2   0.010272   0.059418  -0.031754
-    0SOL     H3    3   0.091195   0.180982  -0.071661
-    1SOL     O4    4  -0.054682  -0.127889   0.005881
-    1SOL     H5    5  -0.025931  -0.186494  -0.064127
-    1SOL     H6    6  -0.150203  -0.133896   0.004495
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025988  -0.037990  -0.143320
-    0SOL     H2    2   0.056423  -0.037740  -0.094630
-    0SOL     H3    3  -0.082238   0.023014  -0.095606
-    1SOL     O4    4   0.030969   0.036302   0.140471
-    1SOL     H5    5  -0.023200   0.086737   0.079773
-    1SOL     H6    6  -0.022624  -0.039757   0.162946
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082504  -0.097971   0.061901
-    0SOL     H2    2  -0.047917  -0.124760   0.147039
-    0SOL     H3    3  -0.152673  -0.036320   0.082824
-    1SOL     O4    4   0.084253   0.100107  -0.073924
-    1SOL     H5    5   0.027240   0.026774  -0.050812
-    1SOL     H6    6   0.147823   0.104520  -0.002499
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107033   0.070666   0.076813
-    0SOL     H2    2  -0.036475   0.020818   0.035593
-    0SOL     H3    3  -0.066776   0.109500   0.154489
-    1SOL     O4    4   0.097970  -0.064848  -0.074504
-    1SOL     H5    5   0.056500  -0.145720  -0.104544
-    1SOL     H6    6   0.185714  -0.067256  -0.112683
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084365   0.044761  -0.115817
-    0SOL     H2    2  -0.025262   0.050391  -0.190901
-    0SOL     H3    3  -0.029264   0.013135  -0.044221
-    1SOL     O4    4   0.072115  -0.039904   0.115486
-    1SOL     H5    5   0.159983  -0.001941   0.116095
-    1SOL     H6    6   0.086592  -0.134070   0.124744
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116236  -0.084444   0.011921
-    0SOL     H2    2  -0.177537  -0.024224   0.054088
-    0SOL     H3    3  -0.145240  -0.088300  -0.079217
-    1SOL     O4    4   0.123723   0.085153  -0.004263
-    1SOL     H5    5   0.159713   0.077311  -0.092611
-    1SOL     H6    6   0.049454   0.024776  -0.003157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025948  -0.097828  -0.111434
-    0SOL     H2    2   0.055840  -0.115866  -0.157779
-    0SOL     H3    3   0.001381  -0.055019  -0.030300
-    1SOL     O4    4   0.019209   0.089292   0.108139
-    1SOL     H5    5   0.089426   0.150109   0.085050
-    1SOL     H6    6  -0.048159   0.144417   0.147953
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034904  -0.135134   0.023942
-    0SOL     H2    2   0.026108  -0.183312  -0.031904
-    0SOL     H3    3  -0.108132  -0.195370   0.037040
-    1SOL     O4    4   0.036679   0.147240  -0.018444
-    1SOL     H5    5  -0.007733   0.069816   0.016132
-    1SOL     H6    6   0.065078   0.121456  -0.106142
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033479  -0.139407   0.033177
-    0SOL     H2    2   0.111544  -0.145475  -0.021881
-    0SOL     H3    3  -0.036097  -0.178864  -0.019402
-    1SOL     O4    4  -0.034951   0.146968  -0.021848
-    1SOL     H5    5  -0.054327   0.153281  -0.115374
-    1SOL     H6    6   0.001916   0.059321  -0.010840
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120090  -0.079815   0.019714
-    0SOL     H2    2   0.174132  -0.050796   0.093197
-    0SOL     H3    3   0.165150  -0.046446  -0.057864
-    1SOL     O4    4  -0.123190   0.082065  -0.017559
-    1SOL     H5    5  -0.085275  -0.005439  -0.009327
-    1SOL     H6    6  -0.208444   0.067518  -0.058578
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.005184  -0.078909  -0.126068
-    0SOL     H2    2   0.039164   0.001413  -0.165514
-    0SOL     H3    3   0.083260  -0.129671  -0.103939
-    1SOL     O4    4  -0.007478   0.076718   0.132162
-    1SOL     H5    5  -0.068191   0.146453   0.107396
-    1SOL     H6    6  -0.020626   0.008826   0.065981
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045172   0.146444   0.005059
-    0SOL     H2    2   0.019498   0.054467  -0.001523
-    0SOL     H3    3  -0.037491   0.194654   0.002819
-    1SOL     O4    4  -0.041243  -0.137631  -0.005257
-    1SOL     H5    5  -0.021552  -0.200394  -0.074794
-    1SOL     H6    6  -0.018047  -0.183326   0.075590
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092911  -0.028916   0.119438
-    0SOL     H2    2   0.047821   0.004912   0.042076
-    0SOL     H3    3   0.115689  -0.119003   0.096464
-    1SOL     O4    4  -0.088307   0.026341  -0.117217
-    1SOL     H5    5  -0.074412   0.120260  -0.129407
-    1SOL     H6    6  -0.156675   0.020661  -0.050465
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016223   0.017942  -0.151089
-    0SOL     H2    2  -0.015415  -0.053776  -0.206024
-    0SOL     H3    3  -0.005003  -0.009092  -0.061753
-    1SOL     O4    4  -0.014955  -0.005442   0.145986
-    1SOL     H5    5  -0.072014  -0.077419   0.172930
-    1SOL     H6    6   0.073450  -0.035999   0.166315
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117233   0.068487   0.055481
-    0SOL     H2    2   0.116643   0.153826   0.098830
-    0SOL     H3    3   0.162247   0.010619   0.117023
-    1SOL     O4    4  -0.119781  -0.074112  -0.067385
-    1SOL     H5    5  -0.045784  -0.026612  -0.029563
-    1SOL     H6    6  -0.193812  -0.052200  -0.010803
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092742  -0.088675   0.089135
-    0SOL     H2    2  -0.090504  -0.037051   0.169710
-    0SOL     H3    3  -0.061374  -0.028779   0.021379
-    1SOL     O4    4   0.093341   0.080408  -0.084318
-    1SOL     H5    5   0.041204   0.158259  -0.103895
-    1SOL     H6    6   0.101060   0.034973  -0.168213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084229   0.043020  -0.120789
-    0SOL     H2    2   0.015585  -0.015824  -0.089363
-    0SOL     H3    3   0.124207  -0.003740  -0.194120
-    1SOL     O4    4  -0.082194  -0.031091   0.120813
-    1SOL     H5    5  -0.015319  -0.083683   0.164677
-    1SOL     H6    6  -0.159196  -0.087868   0.117765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021250   0.059504  -0.142280
-    0SOL     H2    2   0.067482   0.023603  -0.141934
-    0SOL     H3    3  -0.078051  -0.016989  -0.151495
-    1SOL     O4    4   0.013963  -0.056505   0.144875
-    1SOL     H5    5   0.099624  -0.048850   0.186898
-    1SOL     H6    6   0.019928  -0.000092   0.067776
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095534   0.109211   0.066863
-    0SOL     H2    2  -0.047494   0.046199   0.013161
-    0SOL     H3    3  -0.070410   0.194675   0.031835
-    1SOL     O4    4   0.091222  -0.107575  -0.055800
-    1SOL     H5    5   0.054879  -0.192942  -0.079337
-    1SOL     H6    6   0.124091  -0.071906  -0.138320
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010269  -0.139699  -0.082494
-    0SOL     H2    2   0.046297  -0.167696   0.001652
-    0SOL     H3    3  -0.017428  -0.049253  -0.067841
-    1SOL     O4    4  -0.015410   0.139791   0.072308
-    1SOL     H5    5   0.079025   0.126930   0.063423
-    1SOL     H6    6  -0.038734   0.092112   0.151964
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.087301  -0.120184   0.052541
-    0SOL     H2    2  -0.040548  -0.202681   0.039478
-    0SOL     H3    3  -0.068934  -0.096317   0.143400
-    1SOL     O4    4   0.080632   0.120678  -0.062400
-    1SOL     H5    5   0.042040   0.124608   0.025107
-    1SOL     H6    6   0.164604   0.165783  -0.053643
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.141993   0.056654   0.056795
-    0SOL     H2    2  -0.135328   0.112542   0.134219
-    0SOL     H3    3  -0.052088   0.049137   0.024812
-    1SOL     O4    4   0.134208  -0.057872  -0.053632
-    1SOL     H5    5   0.221695  -0.035638  -0.085475
-    1SOL     H6    6   0.093987  -0.106248  -0.125773
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079220  -0.107504   0.080671
-    0SOL     H2    2  -0.163364  -0.136039   0.045062
-    0SOL     H3    3  -0.096845  -0.090504   0.173206
-    1SOL     O4    4   0.086926   0.109073  -0.090108
-    1SOL     H5    5   0.098906   0.167770  -0.015452
-    1SOL     H6    6   0.042285   0.032658  -0.053634
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031186  -0.161076  -0.017734
-    0SOL     H2    2   0.007114  -0.087031   0.037946
-    0SOL     H3    3   0.104925  -0.202105   0.027449
-    1SOL     O4    4  -0.038904   0.155279   0.008315
-    1SOL     H5    5   0.037699   0.126088   0.057734
-    1SOL     H6    6  -0.036157   0.250791   0.013992
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.023073  -0.161989   0.020398
-    0SOL     H2    2   0.047976  -0.168746   0.084185
-    0SOL     H3    3  -0.091004  -0.111742   0.065374
-    1SOL     O4    4   0.019577   0.158867  -0.021019
-    1SOL     H5    5  -0.003100   0.216527  -0.093981
-    1SOL     H6    6   0.099570   0.114604  -0.049377
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079686  -0.061131  -0.126973
-    0SOL     H2    2  -0.130514  -0.109143  -0.061599
-    0SOL     H3    3  -0.144257  -0.007378  -0.172838
-    1SOL     O4    4   0.085962   0.066871   0.126201
-    1SOL     H5    5   0.145155   0.005686   0.169961
-    1SOL     H6    6   0.024980   0.010976   0.078043
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.091577  -0.045964   0.129725
-    0SOL     H2    2   0.138681   0.030587   0.162641
-    0SOL     H3    3   0.152930  -0.087735   0.069281
-    1SOL     O4    4  -0.095192   0.049602  -0.125473
-    1SOL     H5    5  -0.054307  -0.036873  -0.129065
-    1SOL     H6    6  -0.180268   0.037696  -0.167693
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004241  -0.073872   0.157827
-    0SOL     H2    2  -0.030025   0.008972   0.117399
-    0SOL     H3    3   0.066143  -0.106933   0.102011
-    1SOL     O4    4   0.005079   0.068636  -0.148226
-    1SOL     H5    5  -0.041482   0.029231  -0.221993
-    1SOL     H6    6  -0.018824   0.161266  -0.151479
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045747  -0.159810   0.062081
-    0SOL     H2    2  -0.016721  -0.218685  -0.007587
-    0SOL     H3    3  -0.108391  -0.101289   0.019499
-    1SOL     O4    4   0.042408   0.162911  -0.057474
-    1SOL     H5    5   0.057182   0.133083   0.032271
-    1SOL     H6    6   0.122594   0.139306  -0.104116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077987   0.124326  -0.109312
-    0SOL     H2    2  -0.004734   0.161217  -0.078350
-    0SOL     H3    3   0.083722   0.038935  -0.066441
-    1SOL     O4    4  -0.067105  -0.120806   0.104703
-    1SOL     H5    5  -0.127814  -0.064838   0.153121
-    1SOL     H6    6  -0.122629  -0.188285   0.065640
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059491   0.095334   0.143285
-    0SOL     H2    2  -0.091929   0.046157   0.067841
-    0SOL     H3    3  -0.134275   0.147951   0.171591
-    1SOL     O4    4   0.064496  -0.101774  -0.141313
-    1SOL     H5    5   0.120166  -0.055848  -0.078432
-    1SOL     H6    6   0.025650  -0.032161  -0.194297
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127028   0.140591   0.000728
-    0SOL     H2    2  -0.114349   0.076923  -0.069614
-    0SOL     H3    3  -0.039732   0.176494   0.016622
-    1SOL     O4    4   0.127293  -0.140355   0.006000
-    1SOL     H5    5   0.116920  -0.084935  -0.071352
-    1SOL     H6    6   0.039968  -0.176293   0.021659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028613   0.195591   0.058074
-    0SOL     H2    2  -0.063273   0.277693   0.023141
-    0SOL     H3    3   0.056940   0.185931   0.016245
-    1SOL     O4    4   0.022727  -0.193855  -0.055840
-    1SOL     H5    5   0.090509  -0.242452  -0.102810
-    1SOL     H6    6   0.008214  -0.244233   0.024246
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057525  -0.002359   0.209201
-    0SOL     H2    2  -0.135273   0.052562   0.219257
-    0SOL     H3    3  -0.068503  -0.044082   0.123755
-    1SOL     O4    4   0.056961   0.002586  -0.200519
-    1SOL     H5    5   0.069338  -0.052361  -0.277913
-    1SOL     H6    6   0.141606   0.045403  -0.187699
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009579  -0.004818  -0.217523
-    0SOL     H2    2  -0.091584   0.000733  -0.266580
-    0SOL     H3    3   0.040235  -0.073559  -0.261745
-    1SOL     O4    4   0.016950   0.011390   0.224922
-    1SOL     H5    5  -0.069867   0.027206   0.262004
-    1SOL     H6    6   0.002198  -0.053494   0.156112
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057559  -0.160667   0.143004
-    0SOL     H2    2   0.077233  -0.155284   0.236526
-    0SOL     H3    3   0.064509  -0.253872   0.122344
-    1SOL     O4    4  -0.060205   0.158699  -0.148387
-    1SOL     H5    5  -0.014387   0.200993  -0.075762
-    1SOL     H6    6  -0.088312   0.231040  -0.204414
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045409   0.236734  -0.036626
-    0SOL     H2    2  -0.013973   0.163644  -0.053767
-    0SOL     H3    3   0.127303   0.211652  -0.079365
-    1SOL     O4    4  -0.044426  -0.228245   0.035242
-    1SOL     H5    5  -0.135848  -0.253447   0.048255
-    1SOL     H6    6  -0.000604  -0.254222   0.116280
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.008976   0.052329  -0.243899
-    0SOL     H2    2  -0.070413  -0.018225  -0.223651
-    0SOL     H3    3   0.027970   0.077044  -0.159126
-    1SOL     O4    4   0.014348  -0.044286   0.238213
-    1SOL     H5    5  -0.021507  -0.092534   0.163722
-    1SOL     H6    6  -0.018726  -0.090768   0.315076
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011008   0.248267  -0.029932
-    0SOL     H2    2   0.084773   0.279871  -0.082107
-    0SOL     H3    3  -0.041475   0.196825  -0.091263
-    1SOL     O4    4  -0.009009  -0.241818   0.038983
-    1SOL     H5    5  -0.091525  -0.246245  -0.009326
-    1SOL     H6    6   0.027437  -0.330080   0.032372
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.160538   0.026280   0.246124
-    0SOL     H2    2  -0.100055  -0.010466   0.310575
-    0SOL     H3    3  -0.141642  -0.021626   0.165437
-    1SOL     O4    4   0.157635  -0.020155  -0.238527
-    1SOL     H5    5   0.216271  -0.034625  -0.312789
-    1SOL     H6    6   0.069724  -0.024700  -0.276120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055272  -0.320140   0.121320
-    0SOL     H2    2   0.023242  -0.329814   0.031638
-    0SOL     H3    3   0.060770  -0.225529   0.134765
-    1SOL     O4    4  -0.055600   0.308449  -0.118080
-    1SOL     H5    5  -0.093038   0.388112  -0.155689
-    1SOL     H6    6   0.012751   0.339716  -0.058811
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027152   0.079021   0.347765
-    0SOL     H2    2   0.045499   0.126575   0.307480
-    0SOL     H3    3  -0.094854   0.145376   0.361020
-    1SOL     O4    4   0.023759  -0.088303  -0.350713
-    1SOL     H5    5   0.118294  -0.073417  -0.348778
-    1SOL     H6    6  -0.008720  -0.046744  -0.270836
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123691   0.371500   0.005149
-    0SOL     H2    2   0.148906   0.419942   0.083762
-    0SOL     H3    3   0.176910   0.409667  -0.064661
-    1SOL     O4    4  -0.128129  -0.377670  -0.012525
-    1SOL     H5    5  -0.056015  -0.384562   0.050040
-    1SOL     H6    6  -0.202365  -0.347235   0.039677
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094858   0.400511  -0.066741
-    0SOL     H2    2   0.016249   0.346472  -0.074664
-    0SOL     H3    3   0.132260   0.376196   0.017948
-    1SOL     O4    4  -0.090711  -0.400789   0.066556
-    1SOL     H5    5  -0.039840  -0.361556  -0.004403
-    1SOL     H6    6  -0.174499  -0.354558   0.064422
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054721   0.081434  -0.418168
-    0SOL     H2    2  -0.117559   0.074131  -0.490004
-    0SOL     H3    3  -0.001871   0.001865  -0.424331
-    1SOL     O4    4   0.059973  -0.078945   0.426381
-    1SOL     H5    5   0.067307  -0.053224   0.334473
-    1SOL     H6    6  -0.030242  -0.057545   0.450164
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034285  -0.341784  -0.275879
-    0SOL     H2    2  -0.061721  -0.254987  -0.305473
-    0SOL     H3    3  -0.095085  -0.363359  -0.205167
-    1SOL     O4    4   0.035590   0.337419   0.268061
-    1SOL     H5    5   0.022978   0.393571   0.344549
-    1SOL     H6    6   0.116028   0.289040   0.286808
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011858  -0.269957  -0.422147
-    0SOL     H2    2  -0.035343  -0.254373  -0.513624
-    0SOL     H3    3   0.036233  -0.191433  -0.396004
-    1SOL     O4    4   0.008063   0.259408   0.429180
-    1SOL     H5    5   0.101359   0.274345   0.413848
-    1SOL     H6    6  -0.034997   0.336367   0.391958
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/280K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120299  -0.626230   0.258391
-    0SOL     H2    2   0.155623  -0.612006   0.170572
-    0SOL     H3    3   0.070576  -0.707719   0.251350
-    1SOL     O4    4  -0.123434   0.627719  -0.258541
-    1SOL     H5    5  -0.030597   0.611411  -0.241875
-    1SOL     H6    6  -0.151974   0.681553  -0.184719
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119723  -0.032724   0.007692
-    0SOL     H2    2  -0.153125  -0.038309  -0.081837
-    0SOL     H3    3  -0.173130   0.035099   0.049045
-    1SOL     O4    4   0.128411   0.033329  -0.008692
-    1SOL     H5    5   0.168077  -0.035754   0.044378
-    1SOL     H6    6   0.034287   0.023662   0.005790
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094596   0.085895   0.011857
-    0SOL     H2    2  -0.169746   0.056055  -0.039371
-    0SOL     H3    3  -0.067179   0.167075  -0.030807
-    1SOL     O4    4   0.100694  -0.090667  -0.011731
-    1SOL     H5    5   0.114967  -0.125961   0.076092
-    1SOL     H6    6   0.029691  -0.027390  -0.000918
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/02/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2  -0.106071   0.172588   0.019251
-    0SOL     H3    3   0.037711   0.175042  -0.028073
-    1SOL     O4    4   0.024890  -0.133407  -0.025515
-    1SOL     H5    5   0.051731  -0.149690   0.064910
-    1SOL     H6    6   0.001430  -0.040622  -0.027247
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057703  -0.075620  -0.085143
-    0SOL     H2    2  -0.112539  -0.062870  -0.162556
-    0SOL     H3    3  -0.004090  -0.152113  -0.106043
-    1SOL     O4    4   0.057422   0.086237   0.092109
-    1SOL     H5    5   0.117538   0.024306   0.133497
-    1SOL     H6    6   0.003498   0.032321   0.034251
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102327  -0.075400  -0.055798
-    0SOL     H2    2  -0.055179  -0.107095  -0.132836
-    0SOL     H3    3  -0.035342  -0.032299  -0.002717
-    1SOL     O4    4   0.095893   0.068951   0.053200
-    1SOL     H5    5   0.087515   0.160234   0.025640
-    1SOL     H6    6   0.102842   0.073218   0.148572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043944  -0.125007  -0.032447
-    0SOL     H2    2   0.014687  -0.034083  -0.038711
-    0SOL     H3    3   0.082663  -0.143705  -0.117966
-    1SOL     O4    4  -0.041485   0.116527   0.040669
-    1SOL     H5    5  -0.131871   0.145220   0.053686
-    1SOL     H6    6  -0.008176   0.173024  -0.029051
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072531   0.066221  -0.084099
-    0SOL     H2    2   0.080135   0.075327  -0.179081
-    0SOL     H3    3   0.161654   0.078905  -0.051563
-    1SOL     O4    4  -0.078579  -0.064338   0.093136
-    1SOL     H5    5  -0.111098  -0.151325   0.069942
-    1SOL     H6    6  -0.029239  -0.035863   0.016213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046290  -0.123051   0.000274
-    0SOL     H2    2   0.140232  -0.120971   0.018518
-    0SOL     H3    3   0.039455  -0.164534  -0.085719
-    1SOL     O4    4  -0.057210   0.127731   0.005903
-    1SOL     H5    5   0.017203   0.176267  -0.029726
-    1SOL     H6    6  -0.032397   0.035726  -0.003133
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075448  -0.095560  -0.054994
-    0SOL     H2    2  -0.001583  -0.121944  -0.105318
-    0SOL     H3    3   0.095449  -0.171439  -0.000179
-    1SOL     O4    4  -0.075048   0.100266   0.060332
-    1SOL     H5    5  -0.067629   0.185743   0.017893
-    1SOL     H6    6  -0.028629   0.040342   0.001880
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019363   0.061338  -0.115083
-    0SOL     H2    2   0.033751   0.004802  -0.171163
-    0SOL     H3    3  -0.100941   0.073509  -0.163655
-    1SOL     O4    4   0.017987  -0.062795   0.125978
-    1SOL     H5    5  -0.018731  -0.026678   0.045295
-    1SOL     H6    6   0.107843  -0.029888   0.128287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113900   0.048171  -0.050837
-    0SOL     H2    2   0.142277   0.053275   0.040437
-    0SOL     H3    3   0.139512   0.132284  -0.088671
-    1SOL     O4    4  -0.118737  -0.059266   0.044420
-    1SOL     H5    5  -0.040248  -0.005695   0.032935
-    1SOL     H6    6  -0.172344  -0.010241   0.106750
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018208  -0.045853  -0.130905
-    0SOL     H2    2   0.029139  -0.028511  -0.037406
-    0SOL     H3    3   0.040795  -0.138324  -0.140963
-    1SOL     O4    4  -0.019064   0.047586   0.120339
-    1SOL     H5    5  -0.055257   0.003146   0.197003
-    1SOL     H6    6  -0.002292   0.136996   0.150121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029120  -0.102791   0.079523
-    0SOL     H2    2  -0.119563  -0.133572   0.073610
-    0SOL     H3    3   0.023530  -0.182727   0.078813
-    1SOL     O4    4   0.029202   0.114063  -0.082854
-    1SOL     H5    5  -0.027013   0.044868  -0.048007
-    1SOL     H6    6   0.116812   0.092018  -0.051220
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052283   0.037282  -0.118634
-    0SOL     H2    2  -0.122238   0.102474  -0.122947
-    0SOL     H3    3  -0.096009  -0.046037  -0.136191
-    1SOL     O4    4   0.059039  -0.043355   0.122085
-    1SOL     H5    5   0.058045  -0.006651   0.033688
-    1SOL     H6    6   0.054095   0.032867   0.179776
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103443  -0.079668   0.035869
-    0SOL     H2    2  -0.180888  -0.024954   0.048949
-    0SOL     H3    3  -0.121602  -0.128101  -0.044671
-    1SOL     O4    4   0.108795   0.083829  -0.035814
-    1SOL     H5    5   0.187133   0.058865   0.013199
-    1SOL     H6    6   0.042072   0.021089  -0.007993
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053114   0.082999  -0.094826
-    0SOL     H2    2  -0.147450   0.097401  -0.087370
-    0SOL     H3    3  -0.045025   0.004620  -0.149174
-    1SOL     O4    4   0.059242  -0.086223   0.096484
-    1SOL     H5    5   0.100707  -0.034346   0.165417
-    1SOL     H6    6   0.005756  -0.023353   0.048019
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128044   0.064096   0.019437
-    0SOL     H2    2  -0.094167   0.126565  -0.044690
-    0SOL     H3    3  -0.063113  -0.006215   0.021067
-    1SOL     O4    4   0.123810  -0.057405  -0.017071
-    1SOL     H5    5   0.141006  -0.102590   0.065542
-    1SOL     H6    6   0.085101  -0.124377  -0.073450
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055665   0.129495   0.024672
-    0SOL     H2    2  -0.061637   0.185685  -0.052590
-    0SOL     H3    3  -0.030937   0.043724  -0.009886
-    1SOL     O4    4   0.048846  -0.126481  -0.020557
-    1SOL     H5    5   0.083202  -0.117870   0.068369
-    1SOL     H6    6   0.122847  -0.158998  -0.071830
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040197  -0.004982   0.129716
-    0SOL     H2    2  -0.009293   0.067322   0.168253
-    0SOL     H3    3   0.098900  -0.033822   0.199606
-    1SOL     O4    4  -0.037870   0.000993  -0.141838
-    1SOL     H5    5  -0.125454   0.037175  -0.128342
-    1SOL     H6    6  -0.001548  -0.007457  -0.053681
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042906  -0.110268  -0.076883
-    0SOL     H2    2  -0.133646  -0.088714  -0.055343
-    0SOL     H3    3  -0.031488  -0.079065  -0.166651
-    1SOL     O4    4   0.045265   0.114171   0.078087
-    1SOL     H5    5   0.047397   0.081434   0.168009
-    1SOL     H6    6   0.071314   0.039171   0.024619
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032462   0.132920  -0.013867
-    0SOL     H2    2  -0.038900   0.191952  -0.038054
-    0SOL     H3    3   0.097635   0.144461  -0.083016
-    1SOL     O4    4  -0.031694  -0.139836   0.026137
-    1SOL     H5    5  -0.031452  -0.189312  -0.055804
-    1SOL     H6    6  -0.033536  -0.048124  -0.001211
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123885   0.063722  -0.022696
-    0SOL     H2    2   0.187489   0.011222   0.025891
-    0SOL     H3    3   0.104888   0.137772   0.034907
-    1SOL     O4    4  -0.130063  -0.069974   0.012989
-    1SOL     H5    5  -0.036387  -0.050306   0.013455
-    1SOL     H6    6  -0.169037  -0.002461   0.068535
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121857   0.045511  -0.067895
-    0SOL     H2    2   0.124256   0.139919  -0.083509
-    0SOL     H3    3   0.042686   0.031795  -0.015874
-    1SOL     O4    4  -0.117431  -0.044276   0.061725
-    1SOL     H5    5  -0.146516  -0.132135   0.037290
-    1SOL     H6    6  -0.092133  -0.052087   0.153710
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105739   0.090083   0.022363
-    0SOL     H2    2   0.167821   0.046771  -0.036222
-    0SOL     H3    3   0.144213   0.080435   0.109478
-    1SOL     O4    4  -0.112942  -0.086002  -0.030414
-    1SOL     H5    5  -0.060342  -0.029190   0.025870
-    1SOL     H6    6  -0.151575  -0.149949   0.029424
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112383  -0.002665  -0.094552
-    0SOL     H2    2  -0.030972   0.012679  -0.046604
-    0SOL     H3    3  -0.095658   0.032337  -0.182059
-    1SOL     O4    4   0.102794  -0.001703   0.091943
-    1SOL     H5    5   0.197497   0.011830   0.088697
-    1SOL     H6    6   0.079546   0.013219   0.183590
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120915  -0.032720  -0.065007
-    0SOL     H2    2   0.110352  -0.125892  -0.045776
-    0SOL     H3    3   0.127459  -0.028498  -0.160410
-    1SOL     O4    4  -0.123076   0.037073   0.076444
-    1SOL     H5    5  -0.043571   0.003485   0.035054
-    1SOL     H6    6  -0.165178   0.089631   0.008419
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080697  -0.063899   0.106950
-    0SOL     H2    2   0.049307  -0.154220   0.111320
-    0SOL     H3    3   0.049140  -0.031581   0.022558
-    1SOL     O4    4  -0.072073   0.063155  -0.104769
-    1SOL     H5    5  -0.087414   0.155723  -0.123697
-    1SOL     H6    6  -0.141738   0.039298  -0.043615
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.064128   0.032942  -0.123069
-    0SOL     H2    2   0.143224  -0.010778  -0.091529
-    0SOL     H3    3   0.088667   0.125239  -0.129501
-    1SOL     O4    4  -0.072710  -0.041919   0.124269
-    1SOL     H5    5  -0.040552  -0.026370   0.035463
-    1SOL     H6    6  -0.067176   0.043506   0.167097
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066794  -0.077887  -0.105659
-    0SOL     H2    2  -0.001494  -0.022651  -0.062680
-    0SOL     H3    3  -0.018461  -0.122508  -0.175195
-    1SOL     O4    4   0.059189   0.078952   0.100967
-    1SOL     H5    5   0.004397   0.108682   0.173604
-    1SOL     H6    6   0.124258   0.021846   0.141799
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049621  -0.130643   0.031850
-    0SOL     H2    2  -0.084508  -0.147155  -0.055743
-    0SOL     H3    3  -0.126995  -0.114570   0.085862
-    1SOL     O4    4   0.062376   0.131359  -0.032658
-    1SOL     H5    5   0.026104   0.054877   0.012032
-    1SOL     H6    6  -0.007790   0.196400  -0.029698
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.100486  -0.103326  -0.044111
-    0SOL     H2    2   0.147166  -0.021406  -0.060613
-    0SOL     H3    3   0.008373  -0.081839  -0.058805
-    1SOL     O4    4  -0.091478   0.098886   0.047712
-    1SOL     H5    5  -0.154285   0.142390  -0.009951
-    1SOL     H6    6  -0.137258   0.020607   0.078355
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128466  -0.047672   0.028481
-    0SOL     H2    2   0.139715  -0.138076   0.057854
-    0SOL     H3    3   0.189235   0.002848   0.082492
-    1SOL     O4    4  -0.137995   0.048031  -0.028907
-    1SOL     H5    5  -0.045726   0.022949  -0.024480
-    1SOL     H6    6  -0.143954   0.104035  -0.106304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006370  -0.117155   0.094327
-    0SOL     H2    2  -0.032476  -0.182638   0.036317
-    0SOL     H3    3   0.015600  -0.039124   0.039663
-    1SOL     O4    4  -0.002432   0.110470  -0.088028
-    1SOL     H5    5   0.048290   0.190903  -0.077060
-    1SOL     H6    6  -0.093550   0.139695  -0.090412
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026626  -0.144726   0.034524
-    0SOL     H2    2   0.058185  -0.184292   0.014424
-    0SOL     H3    3  -0.005054  -0.058615   0.070328
-    1SOL     O4    4   0.023812   0.144166  -0.029919
-    1SOL     H5    5   0.055424   0.125090  -0.118232
-    1SOL     H6    6  -0.070106   0.126049  -0.033612
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030728   0.127598   0.059760
-    0SOL     H2    2   0.080565   0.186798   0.003422
-    0SOL     H3    3  -0.047752   0.177145   0.083174
-    1SOL     O4    4  -0.031584  -0.136585  -0.063560
-    1SOL     H5    5  -0.024543  -0.168966   0.026241
-    1SOL     H6    6   0.004921  -0.048166  -0.060120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010609   0.113632   0.092384
-    0SOL     H2    2   0.093175   0.081897   0.128965
-    0SOL     H3    3   0.036112   0.185065   0.033996
-    1SOL     O4    4  -0.017617  -0.117140  -0.097933
-    1SOL     H5    5  -0.032835  -0.182817  -0.029983
-    1SOL     H6    6   0.002691  -0.036984  -0.049717
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024944   0.104641  -0.096385
-    0SOL     H2    2   0.118026   0.116547  -0.077511
-    0SOL     H3    3  -0.006823   0.192574  -0.116901
-    1SOL     O4    4  -0.030497  -0.112852   0.102408
-    1SOL     H5    5  -0.050839  -0.025845   0.068081
-    1SOL     H6    6   0.025321  -0.152577   0.035561
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032634  -0.131040   0.051112
-    0SOL     H2    2  -0.068114  -0.206027   0.003358
-    0SOL     H3    3  -0.083668  -0.127788   0.132028
-    1SOL     O4    4   0.040824   0.140443  -0.052988
-    1SOL     H5    5  -0.045789   0.131274  -0.092692
-    1SOL     H6    6   0.059050   0.054478  -0.015039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003835  -0.097334  -0.115523
-    0SOL     H2    2  -0.004532  -0.005425  -0.088793
-    0SOL     H3    3  -0.063003  -0.100919  -0.190680
-    1SOL     O4    4   0.010050   0.088313   0.112974
-    1SOL     H5    5  -0.068925   0.067581   0.162930
-    1SOL     H6    6   0.043809   0.168186   0.153507
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067775   0.079009  -0.100569
-    0SOL     H2    2  -0.027034   0.061706  -0.185441
-    0SOL     H3    3  -0.153834   0.114939  -0.122139
-    1SOL     O4    4   0.070048  -0.077893   0.113210
-    1SOL     H5    5   0.044175  -0.029223   0.034953
-    1SOL     H6    6   0.101068  -0.162110   0.079932
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015421   0.134575  -0.067731
-    0SOL     H2    2  -0.045687   0.062176  -0.054073
-    0SOL     H3    3  -0.037229   0.202921  -0.109194
-    1SOL     O4    4  -0.014872  -0.131601   0.068009
-    1SOL     H5    5   0.058961  -0.092087   0.114373
-    1SOL     H6    6   0.016539  -0.218297   0.042330
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127495  -0.074119  -0.053245
-    0SOL     H2    2  -0.172378   0.008684  -0.036170
-    0SOL     H3    3  -0.038655  -0.048581  -0.078098
-    1SOL     O4    4   0.124852   0.061748   0.051482
-    1SOL     H5    5   0.066636   0.133866   0.027561
-    1SOL     H6    6   0.184543   0.099508   0.116084
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078450   0.083184  -0.094108
-    0SOL     H2    2  -0.026517   0.161537  -0.112168
-    0SOL     H3    3  -0.164237   0.116727  -0.068076
-    1SOL     O4    4   0.087014  -0.090039   0.093957
-    1SOL     H5    5   0.030346  -0.063473   0.021533
-    1SOL     H6    6   0.026759  -0.108918   0.165897
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067295   0.019530   0.140765
-    0SOL     H2    2  -0.160313  -0.001619   0.132860
-    0SOL     H3    3  -0.035867   0.023678   0.050447
-    1SOL     O4    4   0.067170  -0.021368  -0.130665
-    1SOL     H5    5   0.090396  -0.046769  -0.219983
-    1SOL     H6    6   0.116491   0.059162  -0.115023
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070682  -0.080990   0.119994
-    0SOL     H2    2  -0.009405  -0.031343   0.103155
-    0SOL     H3    3   0.121084  -0.073437   0.038970
-    1SOL     O4    4  -0.071806   0.071145  -0.112845
-    1SOL     H5    5   0.010239   0.093051  -0.157015
-    1SOL     H6    6  -0.105896   0.155263  -0.082442
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066152   0.034768   0.137806
-    0SOL     H2    2  -0.025678   0.017759   0.116823
-    0SOL     H3    3   0.102030  -0.051172   0.159931
-    1SOL     O4    4  -0.061345  -0.034761  -0.139336
-    1SOL     H5    5  -0.146592   0.007569  -0.149504
-    1SOL     H6    6  -0.004380   0.033982  -0.104815
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104192   0.116860   0.005870
-    0SOL     H2    2   0.108556   0.175314   0.081543
-    0SOL     H3    3   0.054764   0.041011   0.036954
-    1SOL     O4    4  -0.099700  -0.109627  -0.014195
-    1SOL     H5    5  -0.066309  -0.159860   0.060129
-    1SOL     H6    6  -0.161539  -0.168673  -0.057228
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035013   0.147515   0.056943
-    0SOL     H2    2  -0.077664   0.065161   0.080629
-    0SOL     H3    3   0.054685   0.122562   0.034719
-    1SOL     O4    4   0.029731  -0.138190  -0.051580
-    1SOL     H5    5   0.076603  -0.221585  -0.054822
-    1SOL     H6    6   0.025994  -0.109201  -0.142728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090322  -0.114922  -0.066613
-    0SOL     H2    2   0.062790  -0.043998  -0.008526
-    0SOL     H3    3   0.028942  -0.186072  -0.048378
-    1SOL     O4    4  -0.079321   0.113543   0.057482
-    1SOL     H5    5  -0.171090   0.088413   0.047029
-    1SOL     H6    6  -0.077046   0.162427   0.139746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016960  -0.150088  -0.043924
-    0SOL     H2    2  -0.034631  -0.070568  -0.030612
-    0SOL     H3    3  -0.047051  -0.216020  -0.070717
-    1SOL     O4    4  -0.014800   0.145886   0.049071
-    1SOL     H5    5   0.079890   0.156226   0.058517
-    1SOL     H6    6  -0.036001   0.192014  -0.032077
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054740   0.137093   0.023138
-    0SOL     H2    2   0.135878   0.185517   0.038433
-    0SOL     H3    3  -0.007549   0.203414  -0.006593
-    1SOL     O4    4  -0.052795  -0.146065  -0.028028
-    1SOL     H5    5  -0.029143  -0.070338   0.025528
-    1SOL     H6    6  -0.126310  -0.186206   0.018304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046322  -0.155339   0.021738
-    0SOL     H2    2   0.137572  -0.141008   0.046848
-    0SOL     H3    3   0.008403  -0.067532   0.017936
-    1SOL     O4    4  -0.043435   0.148339  -0.025637
-    1SOL     H5    5  -0.059034   0.202776   0.051536
-    1SOL     H6    6  -0.130161   0.116145  -0.050224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022886  -0.146316   0.100979
-    0SOL     H2    2   0.066711  -0.061298   0.104669
-    0SOL     H3    3  -0.069476  -0.126389   0.116293
-    1SOL     O4    4  -0.021201   0.142988  -0.107871
-    1SOL     H5    5  -0.021576   0.184501  -0.021622
-    1SOL     H6    6  -0.000578   0.051195  -0.090234
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133477   0.021258   0.100286
-    0SOL     H2    2   0.123939   0.057999   0.188158
-    0SOL     H3    3   0.225090  -0.006067   0.095513
-    1SOL     O4    4  -0.136832  -0.027813  -0.103573
-    1SOL     H5    5  -0.084306   0.050884  -0.089078
-    1SOL     H6    6  -0.217443   0.004251  -0.144022
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124939  -0.123891  -0.047470
-    0SOL     H2    2   0.084897  -0.206634  -0.020775
-    0SOL     H3    3   0.052140  -0.071870  -0.081476
-    1SOL     O4    4  -0.115049   0.127025   0.042346
-    1SOL     H5    5  -0.073186   0.100461   0.124225
-    1SOL     H6    6  -0.208584   0.128592   0.062623
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014477  -0.095662  -0.154106
-    0SOL     H2    2   0.017596  -0.017400  -0.109286
-    0SOL     H3    3  -0.073580  -0.062172  -0.221542
-    1SOL     O4    4   0.013654   0.094434   0.152952
-    1SOL     H5    5   0.100791   0.077167   0.188605
-    1SOL     H6    6  -0.032668   0.011093   0.161371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102682   0.001650   0.148220
-    0SOL     H2    2   0.037792  -0.035746   0.207828
-    0SOL     H3    3   0.143148  -0.074208   0.106144
-    1SOL     O4    4  -0.095241   0.002922  -0.150958
-    1SOL     H5    5  -0.171635   0.005342  -0.208581
-    1SOL     H6    6  -0.127880   0.034008  -0.066515
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033757   0.106501  -0.162559
-    0SOL     H2    2  -0.110998   0.050777  -0.172096
-    0SOL     H3    3  -0.015952   0.106950  -0.068510
-    1SOL     O4    4   0.042617  -0.101512   0.153675
-    1SOL     H5    5  -0.035901  -0.148846   0.126168
-    1SOL     H6    6   0.028768  -0.084109   0.246775
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002111   0.188647   0.013663
-    0SOL     H2    2  -0.079983   0.204841   0.060145
-    0SOL     H3    3   0.053079   0.268665   0.026380
-    1SOL     O4    4  -0.001277  -0.199935  -0.018651
-    1SOL     H5    5  -0.056977  -0.125383  -0.041054
-    1SOL     H6    6   0.067568  -0.162744   0.036481
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000485  -0.020373  -0.192783
-    0SOL     H2    2   0.002777  -0.109816  -0.226719
-    0SOL     H3    3  -0.093909  -0.000650  -0.186054
-    1SOL     O4    4   0.001937   0.018877   0.196371
-    1SOL     H5    5   0.084682   0.017625   0.148267
-    1SOL     H6    6  -0.016143   0.111790   0.210608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128381   0.035169  -0.151539
-    0SOL     H2    2  -0.174194   0.070666  -0.075359
-    0SOL     H3    3  -0.075555  -0.036555  -0.116504
-    1SOL     O4    4   0.129961  -0.027102   0.147693
-    1SOL     H5    5   0.154400  -0.114630   0.177757
-    1SOL     H6    6   0.073220  -0.042634   0.072185
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051918  -0.095858   0.165605
-    0SOL     H2    2  -0.129502  -0.039944   0.161541
-    0SOL     H3    3   0.001806  -0.057365   0.234846
-    1SOL     O4    4   0.057279   0.092517  -0.173651
-    1SOL     H5    5  -0.013488   0.141304  -0.131529
-    1SOL     H6    6   0.050101   0.004059  -0.137791
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.049874   0.168876  -0.096489
-    0SOL     H2    2   0.139770   0.193885  -0.075146
-    0SOL     H3    3   0.056828   0.078649  -0.127684
-    1SOL     O4    4  -0.052973  -0.161554   0.102050
-    1SOL     H5    5  -0.100276  -0.244622   0.106980
-    1SOL     H6    6  -0.036935  -0.148580   0.008580
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104261   0.084309   0.145719
-    0SOL     H2    2  -0.171004   0.128961   0.197813
-    0SOL     H3    3  -0.134257  -0.006467   0.140999
-    1SOL     O4    4   0.114982  -0.086632  -0.147564
-    1SOL     H5    5   0.065594  -0.069767  -0.227806
-    1SOL     H6    6   0.082475  -0.021635  -0.085267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112283   0.080143  -0.146476
-    0SOL     H2    2  -0.201596   0.094047  -0.114978
-    0SOL     H3    3  -0.068710   0.164299  -0.133002
-    1SOL     O4    4   0.118015  -0.087823   0.149873
-    1SOL     H5    5   0.149745  -0.026470   0.083606
-    1SOL     H6    6   0.034675  -0.119644   0.115171
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034820  -0.184400   0.086675
-    0SOL     H2    2  -0.049585  -0.222543   0.110825
-    0SOL     H3    3   0.049832  -0.116047   0.151980
-    1SOL     O4    4  -0.027998   0.188697  -0.093027
-    1SOL     H5    5  -0.009731   0.104542  -0.134819
-    1SOL     H6    6  -0.096658   0.169386  -0.029188
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.151803  -0.139358   0.023411
-    0SOL     H2    2   0.126713  -0.140119   0.115782
-    0SOL     H3    3   0.227350  -0.197939   0.018581
-    1SOL     O4    4  -0.154836   0.147229  -0.032686
-    1SOL     H5    5  -0.139598   0.157826   0.061217
-    1SOL     H6    6  -0.165741   0.052899  -0.044735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061886  -0.157485  -0.124735
-    0SOL     H2    2   0.140146  -0.200889  -0.090769
-    0SOL     H3    3   0.004698  -0.229162  -0.152198
-    1SOL     O4    4  -0.059244   0.167460   0.128829
-    1SOL     H5    5  -0.088439   0.076724   0.137597
-    1SOL     H6    6  -0.094994   0.196161   0.044803
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095820   0.112917   0.162423
-    0SOL     H2    2   0.079980   0.167145   0.239694
-    0SOL     H3    3   0.188916   0.124674   0.143527
-    1SOL     O4    4  -0.101385  -0.109719  -0.165562
-    1SOL     H5    5  -0.044581  -0.157304  -0.226153
-    1SOL     H6    6  -0.135766  -0.177127  -0.106942
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101913  -0.211819   0.039043
-    0SOL     H2    2  -0.136785  -0.236265   0.124767
-    0SOL     H3    3  -0.019750  -0.166739   0.058524
-    1SOL     O4    4   0.099094   0.205278  -0.040116
-    1SOL     H5    5   0.037133   0.226424  -0.109944
-    1SOL     H6    6   0.166234   0.273229  -0.046217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001631  -0.017374   0.237941
-    0SOL     H2    2  -0.002787   0.028176   0.322013
-    0SOL     H3    3   0.066981  -0.086036   0.251252
-    1SOL     O4    4  -0.002175   0.021121  -0.248719
-    1SOL     H5    5   0.034677   0.011566  -0.160896
-    1SOL     H6    6  -0.091517  -0.012364  -0.241029
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082574   0.132599  -0.196519
-    0SOL     H2    2  -0.011515   0.163033  -0.140068
-    0SOL     H3    3  -0.161906   0.168319  -0.156609
-    1SOL     O4    4   0.082645  -0.131333   0.196576
-    1SOL     H5    5   0.132847  -0.212717   0.192262
-    1SOL     H6    6   0.035603  -0.127708   0.113292
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088627   0.195743   0.132081
-    0SOL     H2    2   0.179739   0.167476   0.124218
-    0SOL     H3    3   0.093312   0.279079   0.178937
-    1SOL     O4    4  -0.091681  -0.205753  -0.134241
-    1SOL     H5    5  -0.174613  -0.169937  -0.102588
-    1SOL     H6    6  -0.043577  -0.129692  -0.166845
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054925  -0.061763   0.248020
-    0SOL     H2    2   0.027860  -0.092708   0.284780
-    0SOL     H3    3  -0.079186   0.012794   0.302930
-    1SOL     O4    4   0.052649   0.054172  -0.249471
-    1SOL     H5    5   0.106977   0.132578  -0.257422
-    1SOL     H6    6  -0.021026   0.069936  -0.308513
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-Generated by ForceBalance from calcs/cluster-02/VLE/290K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053345  -0.191769  -0.174751
-    0SOL     H2    2  -0.032246  -0.234604  -0.173415
-    0SOL     H3    3   0.104964  -0.239251  -0.109610
-    1SOL     O4    4  -0.054197   0.202000   0.174644
-    1SOL     H5    5   0.013355   0.143777   0.209416
-    1SOL     H6    6  -0.069757   0.170272   0.085685
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015689  -0.270361  -0.005625
-    0SOL     H2    2   0.000201  -0.254593  -0.098759
-    0SOL     H3    3  -0.063930  -0.239362   0.037529
-    1SOL     O4    4  -0.007093   0.269308   0.013058
-    1SOL     H5    5  -0.042858   0.330527  -0.051249
-    1SOL     H6    6  -0.038164   0.183451  -0.015674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055242  -0.083674   0.278477
-    0SOL     H2    2   0.005016  -0.048345   0.205050
-    0SOL     H3    3   0.143165  -0.047628   0.266963
-    1SOL     O4    4  -0.054302   0.077252  -0.268644
-    1SOL     H5    5  -0.146518   0.102904  -0.267857
-    1SOL     H6    6  -0.025508   0.093965  -0.358387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.167507  -0.016701  -0.241842
-    0SOL     H2    2  -0.178366   0.037369  -0.163607
-    0SOL     H3    3  -0.214036  -0.097859  -0.221572
-    1SOL     O4    4   0.166323   0.019903   0.231903
-    1SOL     H5    5   0.197913   0.071891   0.305806
-    1SOL     H6    6   0.216178  -0.061657   0.236884
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069120   0.293335   0.046919
-    0SOL     H2    2   0.143480   0.234386   0.034347
-    0SOL     H3    3   0.018614   0.253479   0.117792
-    1SOL     O4    4  -0.074887  -0.284403  -0.046638
-    1SOL     H5    5   0.018043  -0.263695  -0.056511
-    1SOL     H6    6  -0.087771  -0.362900  -0.099879
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039799   0.012814  -0.337705
-    0SOL     H2    2  -0.008941  -0.017236  -0.423187
-    0SOL     H3    3  -0.134617   0.021000  -0.347938
-    1SOL     O4    4   0.039178  -0.012660   0.348956
-    1SOL     H5    5   0.088711   0.066867   0.329355
-    1SOL     H6    6   0.061106  -0.072753   0.277750
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094565   0.350089   0.065234
-    0SOL     H2    2  -0.142981   0.405291   0.003826
-    0SOL     H3    3  -0.002718   0.372682   0.050538
-    1SOL     O4    4   0.089572  -0.352215  -0.066590
-    1SOL     H5    5   0.044707  -0.369618   0.016154
-    1SOL     H6    6   0.180776  -0.375997  -0.049902
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025544  -0.317648  -0.220543
-    0SOL     H2    2   0.114251  -0.296993  -0.191102
-    0SOL     H3    3  -0.028633  -0.247383  -0.184627
-    1SOL     O4    4  -0.027430   0.318529   0.220352
-    1SOL     H5    5  -0.007549   0.303937   0.127864
-    1SOL     H6    6  -0.044596   0.231084   0.255296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004667   0.339721   0.196894
-    0SOL     H2    2   0.085559   0.386408   0.217853
-    0SOL     H3    3  -0.059388   0.373369   0.259561
-    1SOL     O4    4  -0.005189  -0.338096  -0.199687
-    1SOL     H5    5   0.013278  -0.416891  -0.148574
-    1SOL     H6    6  -0.028544  -0.370776  -0.286571
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000402   0.386531   0.084081
-    0SOL     H2    2   0.016223   0.473541   0.120347
-    0SOL     H3    3  -0.075253   0.398770   0.025686
-    1SOL     O4    4   0.008318  -0.391815  -0.077233
-    1SOL     H5    5   0.027282  -0.417378  -0.167506
-    1SOL     H6    6  -0.085520  -0.372931  -0.076847
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049421   0.413212  -0.132987
-    0SOL     H2    2  -0.136928   0.375795  -0.122754
-    0SOL     H3    3  -0.025849   0.443462  -0.045285
-    1SOL     O4    4   0.050349  -0.407299   0.130743
-    1SOL     H5    5   0.139978  -0.423434   0.101269
-    1SOL     H6    6   0.002382  -0.486386   0.106113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054636  -0.388041  -0.199058
-    0SOL     H2    2   0.053529  -0.478844  -0.229323
-    0SOL     H3    3   0.104539  -0.390563  -0.117415
-    1SOL     O4    4  -0.055918   0.388346   0.191859
-    1SOL     H5    5  -0.071572   0.478428   0.163530
-    1SOL     H6    6  -0.070444   0.390070   0.286455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061791   0.435073   0.159876
-    0SOL     H2    2   0.029173   0.501114   0.221007
-    0SOL     H3    3   0.130124   0.388986   0.208548
-    1SOL     O4    4  -0.068288  -0.431228  -0.163370
-    1SOL     H5    5  -0.007098  -0.485192  -0.113311
-    1SOL     H6    6  -0.056036  -0.458982  -0.254155
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.198152   0.457568   0.104506
-    0SOL     H2    2  -0.203398   0.371064   0.063861
-    0SOL     H3    3  -0.105455   0.468546   0.125694
-    1SOL     O4    4   0.196348  -0.447821  -0.100799
-    1SOL     H5    5   0.172794  -0.462925  -0.192338
-    1SOL     H6    6   0.158247  -0.521915  -0.053675
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083361   0.045701   0.505043
-    0SOL     H2    2  -0.069835   0.126133   0.555144
-    0SOL     H3    3  -0.148283  -0.003345   0.555461
-    1SOL     O4    4   0.090716  -0.044802  -0.506310
-    1SOL     H5    5   0.082402  -0.021105  -0.598677
-    1SOL     H6    6   0.024769  -0.112885  -0.492971
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/290K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.843890  -0.959645  -0.653047
-    0SOL     H2    2  -0.802156  -0.880113  -0.686141
-    0SOL     H3    3  -0.786508  -1.030631  -0.681867
-    1SOL     O4    4   0.841633   0.953582   0.654034
-    1SOL     H5    5   0.755166   0.957364   0.694918
-    1SOL     H6    6   0.872297   1.044257   0.654312
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060093  -0.103761  -0.030652
-    0SOL     H2    2   0.102438  -0.166688   0.027738
-    0SOL     H3    3   0.060024  -0.146689  -0.116207
-    1SOL     O4    4  -0.067206   0.112061   0.037311
-    1SOL     H5    5  -0.027524   0.165430  -0.031532
-    1SOL     H6    6  -0.029783   0.024872   0.024660
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106488   0.059843   0.055496
-    0SOL     H2    2   0.075343   0.120200   0.122945
-    0SOL     H3    3   0.026918   0.029780   0.011598
-    1SOL     O4    4  -0.101706  -0.056063  -0.052516
-    1SOL     H5    5  -0.098443  -0.148803  -0.029042
-    1SOL     H6    6  -0.076081  -0.053727  -0.144712
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105369   0.069616  -0.012640
-    0SOL     H2    2   0.071138   0.157220   0.005140
-    0SOL     H3    3   0.172629   0.056127   0.054117
-    1SOL     O4    4  -0.113710  -0.071191   0.008597
-    1SOL     H5    5  -0.092366  -0.164462   0.011291
-    1SOL     H6    6  -0.031300  -0.028372  -0.014584
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071872  -0.077755  -0.071016
-    0SOL     H2    2  -0.079547  -0.148772  -0.007298
-    0SOL     H3    3  -0.160887  -0.065334  -0.103946
-    1SOL     O4    4   0.077502   0.079601   0.076230
-    1SOL     H5    5   0.133726   0.139323   0.026889
-    1SOL     H6    6   0.016426   0.044911   0.011202
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016819  -0.062220   0.110051
-    0SOL     H2    2   0.078649  -0.133890   0.095810
-    0SOL     H3    3   0.058999  -0.006832   0.175742
-    1SOL     O4    4  -0.025345   0.061059  -0.120064
-    1SOL     H5    5  -0.010593   0.002914  -0.045474
-    1SOL     H6    6  -0.006016   0.148578  -0.086461
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127586  -0.005799   0.011961
-    0SOL     H2    2   0.161931  -0.039160   0.094845
-    0SOL     H3    3   0.141702   0.088768   0.016460
-    1SOL     O4    4  -0.136104   0.006641  -0.016592
-    1SOL     H5    5  -0.042420   0.024166  -0.007736
-    1SOL     H6    6  -0.141217  -0.086697  -0.037189
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095012  -0.096025   0.026829
-    0SOL     H2    2   0.022163  -0.033950   0.025372
-    0SOL     H3    3   0.154096  -0.065306  -0.041929
-    1SOL     O4    4  -0.092773   0.089152  -0.016493
-    1SOL     H5    5  -0.055151   0.158909  -0.070166
-    1SOL     H6    6  -0.154754   0.044983  -0.074543
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044256  -0.112482  -0.052119
-    0SOL     H2    2  -0.047561  -0.138564  -0.044925
-    0SOL     H3    3   0.087361  -0.155836   0.021533
-    1SOL     O4    4  -0.040501   0.118319   0.053795
-    1SOL     H5    5  -0.011144   0.040333   0.006694
-    1SOL     H6    6  -0.086611   0.170218  -0.012104
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055171   0.113303  -0.005867
-    0SOL     H2    2  -0.142268   0.124559  -0.043941
-    0SOL     H3    3  -0.029918   0.201115   0.022658
-    1SOL     O4    4   0.064770  -0.119770   0.008076
-    1SOL     H5    5   0.019255  -0.038107  -0.012465
-    1SOL     H6    6  -0.001957  -0.187643  -0.002076
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041645  -0.107809   0.057958
-    0SOL     H2    2  -0.022178  -0.178081   0.045679
-    0SOL     H3    3   0.044153  -0.093940   0.152634
-    1SOL     O4    4  -0.041735   0.113426  -0.068009
-    1SOL     H5    5  -0.001296   0.165747   0.001198
-    1SOL     H6    6  -0.019190   0.023031  -0.046036
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009542  -0.064076  -0.124175
-    0SOL     H2    2   0.013725  -0.042341  -0.031049
-    0SOL     H3    3  -0.015818   0.017786  -0.166810
-    1SOL     O4    4  -0.008935   0.054249   0.116455
-    1SOL     H5    5  -0.002475   0.033486   0.209673
-    1SOL     H6    6  -0.004253   0.149784   0.112767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060158   0.056264   0.113220
-    0SOL     H2    2   0.005254   0.037671   0.037048
-    0SOL     H3    3   0.145999   0.077186   0.076397
-    1SOL     O4    4  -0.062931  -0.050559  -0.105434
-    1SOL     H5    5  -0.083910  -0.125650  -0.049905
-    1SOL     H6    6  -0.022402  -0.088832  -0.183247
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018455   0.028673   0.126202
-    0SOL     H2    2   0.066684   0.051560   0.163482
-    0SOL     H3    3  -0.081519   0.051843   0.194382
-    1SOL     O4    4   0.012157  -0.034590  -0.136390
-    1SOL     H5    5   0.003193  -0.005597  -0.045608
-    1SOL     H6    6   0.101450  -0.010123  -0.160691
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.005403   0.020194  -0.131740
-    0SOL     H2    2  -0.008081   0.113967  -0.145421
-    0SOL     H3    3   0.072031  -0.004100  -0.196027
-    1SOL     O4    4  -0.004148  -0.025308   0.140691
-    1SOL     H5    5  -0.098850  -0.011487   0.142352
-    1SOL     H6    6   0.020320  -0.012837   0.048995
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065752  -0.114164   0.029030
-    0SOL     H2    2   0.016948  -0.176904  -0.024300
-    0SOL     H3    3   0.061855  -0.149920   0.117735
-    1SOL     O4    4  -0.068026   0.120610  -0.035151
-    1SOL     H5    5  -0.027781   0.187157   0.020654
-    1SOL     H6    6  -0.014902   0.042225  -0.021152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003161   0.137206   0.000349
-    0SOL     H2    2   0.046844   0.126155   0.084801
-    0SOL     H3    3  -0.080959   0.177461   0.021928
-    1SOL     O4    4   0.000736  -0.141498   0.000097
-    1SOL     H5    5  -0.000131  -0.049240  -0.025397
-    1SOL     H6    6  -0.025715  -0.188498  -0.078983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085433   0.000909   0.103057
-    0SOL     H2    2   0.054004   0.037590   0.185695
-    0SOL     H3    3   0.131096  -0.079356   0.128253
-    1SOL     O4    4  -0.086399  -0.003351  -0.114126
-    1SOL     H5    5  -0.017698   0.007509  -0.048365
-    1SOL     H6    6  -0.149670   0.065703  -0.094363
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083234   0.100475   0.038696
-    0SOL     H2    2   0.043672   0.123684   0.122711
-    0SOL     H3    3   0.084515   0.182460  -0.010691
-    1SOL     O4    4  -0.079555  -0.112983  -0.041400
-    1SOL     H5    5  -0.039220  -0.048923   0.017180
-    1SOL     H6    6  -0.146456  -0.063479  -0.088685
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009315   0.115941  -0.065793
-    0SOL     H2    2   0.046798   0.112910  -0.153817
-    0SOL     H3    3   0.003015   0.209293  -0.045594
-    1SOL     O4    4  -0.006630  -0.125042   0.067249
-    1SOL     H5    5  -0.032482  -0.039297   0.033459
-    1SOL     H6    6  -0.062177  -0.138309   0.144066
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127070  -0.061902   0.023114
-    0SOL     H2    2   0.040431  -0.033989  -0.006495
-    0SOL     H3    3   0.174580  -0.082209  -0.057464
-    1SOL     O4    4  -0.125305   0.055254  -0.013906
-    1SOL     H5    5  -0.100374   0.136025   0.031004
-    1SOL     H6    6  -0.142430   0.082263  -0.104125
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-    6
-    0SOL     O1    1  -0.071551   0.074120   0.100960
-    0SOL     H2    2  -0.143299   0.118065   0.055316
-    0SOL     H3    3  -0.024192   0.027566   0.032024
-    1SOL     O4    4   0.067195  -0.071104  -0.092129
-    1SOL     H5    5   0.086967  -0.163804  -0.105474
-    1SOL     H6    6   0.148147  -0.025691  -0.115514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043418   0.003630  -0.127760
-    0SOL     H2    2  -0.092877   0.074412  -0.169065
-    0SOL     H3    3  -0.068451  -0.074805  -0.176582
-    1SOL     O4    4   0.045915   0.003115   0.136968
-    1SOL     H5    5   0.064404  -0.085488   0.168114
-    1SOL     H6    6   0.054608  -0.002594   0.041814
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128448  -0.048288  -0.003928
-    0SOL     H2    2   0.172770   0.026459  -0.044063
-    0SOL     H3    3   0.148038  -0.121817  -0.061997
-    1SOL     O4    4  -0.132135   0.055058   0.009613
-    1SOL     H5    5  -0.209017   0.002222   0.031058
-    1SOL     H6    6  -0.062054  -0.008793  -0.003573
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067882  -0.004567  -0.120461
-    0SOL     H2    2   0.028968  -0.023416  -0.205859
-    0SOL     H3    3   0.082282   0.090062  -0.121010
-    1SOL     O4    4  -0.068185  -0.004471   0.130674
-    1SOL     H5    5  -0.097445   0.086205   0.121511
-    1SOL     H6    6  -0.009611  -0.018423   0.056265
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044920   0.021091   0.139777
-    0SOL     H2    2  -0.053194   0.024475   0.044476
-    0SOL     H3    3   0.045173  -0.007409   0.155048
-    1SOL     O4    4   0.039478  -0.015248  -0.128677
-    1SOL     H5    5   0.073046  -0.104482  -0.137207
-    1SOL     H6    6   0.012717   0.008904  -0.217349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043802  -0.074835   0.104011
-    0SOL     H2    2  -0.032815  -0.169674   0.110884
-    0SOL     H3    3  -0.085225  -0.049436   0.186482
-    1SOL     O4    4   0.043418   0.084365  -0.110568
-    1SOL     H5    5   0.013175   0.024706  -0.042095
-    1SOL     H6    6   0.114391   0.037046  -0.153996
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078236  -0.034493  -0.113581
-    0SOL     H2    2   0.148870  -0.087948  -0.077309
-    0SOL     H3    3   0.113206   0.054610  -0.113699
-    1SOL     O4    4  -0.084557   0.038712   0.111176
-    1SOL     H5    5  -0.068933  -0.024731   0.041225
-    1SOL     H6    6  -0.094873  -0.014561   0.190029
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.100641   0.002043  -0.097035
-    0SOL     H2    2   0.178081  -0.001597  -0.040891
-    0SOL     H3    3   0.124228  -0.049965  -0.173854
-    1SOL     O4    4  -0.112298   0.004398   0.099392
-    1SOL     H5    5  -0.072243  -0.057846   0.160086
-    1SOL     H6    6  -0.050641   0.009780   0.026373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023932  -0.049090   0.139393
-    0SOL     H2    2   0.005695   0.029088   0.191526
-    0SOL     H3    3   0.036042  -0.016240   0.050306
-    1SOL     O4    4  -0.024004   0.047499  -0.133095
-    1SOL     H5    5   0.053829   0.001474  -0.164496
-    1SOL     H6    6  -0.097272   0.001308  -0.173845
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033622   0.052363  -0.135984
-    0SOL     H2    2   0.011674   0.010815  -0.052592
-    0SOL     H3    3  -0.043057   0.037240  -0.191246
-    1SOL     O4    4  -0.023610  -0.049026   0.129112
-    1SOL     H5    5  -0.097001  -0.106141   0.151780
-    1SOL     H6    6  -0.019530   0.014369   0.200713
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086684  -0.093433  -0.056041
-    0SOL     H2    2  -0.063011  -0.182820  -0.080779
-    0SOL     H3    3  -0.175551  -0.081952  -0.089704
-    1SOL     O4    4   0.095794   0.100740   0.055521
-    1SOL     H5    5   0.024080   0.044804   0.025680
-    1SOL     H6    6   0.083349   0.107251   0.150205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.098521   0.094521  -0.059339
-    0SOL     H2    2   0.053070   0.015305  -0.030681
-    0SOL     H3    3   0.189333   0.066925  -0.071747
-    1SOL     O4    4  -0.097859  -0.084712   0.054921
-    1SOL     H5    5  -0.137837  -0.068019   0.140275
-    1SOL     H6    6  -0.119092  -0.176096   0.035935
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053342  -0.142391  -0.002237
-    0SOL     H2    2  -0.017418  -0.160275   0.084664
-    0SOL     H3    3  -0.042870  -0.047921  -0.013558
-    1SOL     O4    4   0.045005   0.137841   0.002340
-    1SOL     H5    5   0.134356   0.114443   0.027466
-    1SOL     H6    6   0.052068   0.164584  -0.089297
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019604  -0.132235   0.050375
-    0SOL     H2    2   0.074907  -0.133958   0.065441
-    0SOL     H3    3  -0.056311  -0.183653   0.122286
-    1SOL     O4    4   0.021471   0.135559  -0.059649
-    1SOL     H5    5  -0.030522   0.210296  -0.030098
-    1SOL     H6    6  -0.018885   0.059916  -0.017082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077491  -0.006371   0.128939
-    0SOL     H2    2   0.037295   0.010902   0.043802
-    0SOL     H3    3   0.126371   0.073436   0.149036
-    1SOL     O4    4  -0.071169   0.001546  -0.124031
-    1SOL     H5    5  -0.127021  -0.076123  -0.127250
-    1SOL     H6    6  -0.130138   0.074342  -0.143674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020321   0.140566  -0.021482
-    0SOL     H2    2   0.027079   0.145150  -0.104516
-    0SOL     H3    3  -0.095814   0.198125  -0.033735
-    1SOL     O4    4   0.024775  -0.145296   0.033375
-    1SOL     H5    5   0.025619  -0.208688  -0.038341
-    1SOL     H6    6  -0.021979  -0.069641  -0.002018
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028386   0.051224   0.130877
-    0SOL     H2    2  -0.055182   0.011896   0.213929
-    0SOL     H3    3   0.030587   0.122339   0.155920
-    1SOL     O4    4   0.027421  -0.047900  -0.141343
-    1SOL     H5    5   0.042161  -0.141453  -0.155232
-    1SOL     H6    6   0.000479  -0.041189  -0.049739
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012873  -0.139088   0.068965
-    0SOL     H2    2   0.052047  -0.072203   0.047190
-    0SOL     H3    3  -0.094855  -0.105722   0.032525
-    1SOL     O4    4   0.007714   0.129488  -0.067233
-    1SOL     H5    5   0.092579   0.131514  -0.111462
-    1SOL     H6    6   0.015891   0.193646   0.003331
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066372   0.060520  -0.115064
-    0SOL     H2    2  -0.161401   0.049068  -0.114220
-    0SOL     H3    3  -0.053660   0.154966  -0.124046
-    1SOL     O4    4   0.073207  -0.060991   0.120276
-    1SOL     H5    5   0.075636  -0.156679   0.119997
-    1SOL     H6    6   0.029898  -0.037844   0.038113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045968   0.126765  -0.077133
-    0SOL     H2    2   0.051536   0.037677  -0.042570
-    0SOL     H3    3   0.031071   0.181525  -0.000050
-    1SOL     O4    4  -0.040235  -0.123509   0.067158
-    1SOL     H5    5  -0.039125  -0.179171   0.145023
-    1SOL     H6    6  -0.130800  -0.093223   0.060597
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050374  -0.095532  -0.096548
-    0SOL     H2    2   0.005248  -0.105842  -0.180332
-    0SOL     H3    3   0.119907  -0.161287  -0.098490
-    1SOL     O4    4  -0.050760   0.106884   0.100711
-    1SOL     H5    5  -0.091951   0.058838   0.172524
-    1SOL     H6    6  -0.024902   0.039138   0.038228
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006821  -0.003255  -0.155140
-    0SOL     H2    2   0.094860   0.019544  -0.185002
-    0SOL     H3    3   0.010761   0.005509  -0.059904
-    1SOL     O4    4  -0.013687   0.004059   0.144745
-    1SOL     H5    5   0.067817   0.020690   0.192103
-    1SOL     H6    6  -0.064630  -0.051743   0.203509
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032319  -0.100510  -0.120447
-    0SOL     H2    2   0.034682  -0.025729  -0.060743
-    0SOL     H3    3  -0.044408  -0.150724  -0.092991
-    1SOL     O4    4  -0.027277   0.093363   0.112487
-    1SOL     H5    5  -0.010775   0.112438   0.204824
-    1SOL     H6    6  -0.055045   0.177070   0.075280
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.005529  -0.021110   0.160269
-    0SOL     H2    2   0.057111   0.037725   0.105133
-    0SOL     H3    3  -0.041858  -0.076634   0.098350
-    1SOL     O4    4  -0.003604   0.018927  -0.158927
-    1SOL     H5    5   0.031300   0.094116  -0.111066
-    1SOL     H6    6  -0.075158  -0.013296  -0.104117
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088333   0.129202  -0.035351
-    0SOL     H2    2  -0.159472   0.108883   0.025383
-    0SOL     H3    3  -0.015586   0.074146  -0.006384
-    1SOL     O4    4   0.084957  -0.122531   0.035428
-    1SOL     H5    5   0.063085  -0.202846  -0.011832
-    1SOL     H6    6   0.163672  -0.089766  -0.008077
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.114991   0.002173   0.112919
-    0SOL     H2    2  -0.042016   0.057147   0.084374
-    0SOL     H3    3  -0.175960   0.003007   0.039133
-    1SOL     O4    4   0.114892   0.001137  -0.107971
-    1SOL     H5    5   0.050035  -0.062444  -0.138193
-    1SOL     H6    6   0.170978  -0.048341  -0.048233
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.069621  -0.136826  -0.010703
-    0SOL     H2    2  -0.159000  -0.127686  -0.043719
-    0SOL     H3    3  -0.061906  -0.229404   0.012364
-    1SOL     O4    4   0.074142   0.146966   0.007932
-    1SOL     H5    5   0.113994   0.128206   0.092915
-    1SOL     H6    6   0.029113   0.065923  -0.015873
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094991  -0.096495   0.096144
-    0SOL     H2    2  -0.139158  -0.021374   0.135747
-    0SOL     H3    3  -0.102199  -0.081609   0.001864
-    1SOL     O4    4   0.095319   0.088678  -0.098211
-    1SOL     H5    5   0.135103   0.175636  -0.102431
-    1SOL     H6    6   0.096738   0.066126  -0.005196
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099800   0.128048  -0.034441
-    0SOL     H2    2   0.064107   0.041146  -0.052782
-    0SOL     H3    3   0.194624   0.117014  -0.041444
-    1SOL     O4    4  -0.096186  -0.122036   0.037498
-    1SOL     H5    5  -0.170421  -0.083867   0.084343
-    1SOL     H6    6  -0.135661  -0.168196  -0.036484
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047158  -0.078023   0.139149
-    0SOL     H2    2  -0.018293  -0.162537   0.104702
-    0SOL     H3    3   0.031023  -0.040753   0.179905
-    1SOL     O4    4   0.041723   0.078179  -0.146061
-    1SOL     H5    5   0.029651   0.030524  -0.063929
-    1SOL     H6    6   0.042061   0.170412  -0.120464
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050712  -0.100475  -0.122126
-    0SOL     H2    2   0.128443  -0.045899  -0.110221
-    0SOL     H3    3   0.077937  -0.187617  -0.093362
-    1SOL     O4    4  -0.053342   0.098919   0.124248
-    1SOL     H5    5  -0.081334   0.190455   0.124080
-    1SOL     H6    6  -0.089656   0.062570   0.043487
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036225   0.058081   0.147753
-    0SOL     H2    2  -0.033914   0.113499   0.225765
-    0SOL     H3    3  -0.019773  -0.030306   0.180607
-    1SOL     O4    4   0.034458  -0.061679  -0.158739
-    1SOL     H5    5  -0.013404   0.021152  -0.161994
-    1SOL     H6    6   0.093264  -0.052487  -0.083774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030013   0.166111  -0.042978
-    0SOL     H2    2   0.021859   0.202854   0.028587
-    0SOL     H3    3  -0.119914   0.192586  -0.023508
-    1SOL     O4    4   0.036770  -0.170073   0.041537
-    1SOL     H5    5   0.038834  -0.188324  -0.052404
-    1SOL     H6    6  -0.054530  -0.147740   0.059645
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111567   0.132674   0.066568
-    0SOL     H2    2   0.063994   0.050508   0.054406
-    0SOL     H3    3   0.115478   0.144317   0.161496
-    1SOL     O4    4  -0.108915  -0.122828  -0.074800
-    1SOL     H5    5  -0.074129  -0.207962  -0.101340
-    1SOL     H6    6  -0.146361  -0.138187   0.011942
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096426   0.010094  -0.160634
-    0SOL     H2    2  -0.047176   0.013211  -0.078615
-    0SOL     H3    3  -0.145329  -0.072068  -0.156155
-    1SOL     O4    4   0.090536  -0.007469   0.154808
-    1SOL     H5    5   0.139907  -0.002151   0.236640
-    1SOL     H6    6   0.151467   0.023818   0.087943
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.151010  -0.110197   0.004440
-    0SOL     H2    2   0.158872  -0.184101   0.064762
-    0SOL     H3    3   0.085084  -0.053483   0.044435
-    1SOL     O4    4  -0.148459   0.117576  -0.013586
-    1SOL     H5    5  -0.102660   0.099554   0.068512
-    1SOL     H6    6  -0.179370   0.031935  -0.043122
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.182406   0.001909  -0.045981
-    0SOL     H2    2  -0.191758  -0.074438   0.010994
-    0SOL     H3    3  -0.126125  -0.028146  -0.117335
-    1SOL     O4    4   0.173487   0.004165   0.046326
-    1SOL     H5    5   0.234387  -0.064662   0.019560
-    1SOL     H6    6   0.229352   0.072744   0.082911
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119489   0.137140  -0.045061
-    0SOL     H2    2   0.147816   0.062111  -0.097315
-    0SOL     H3    3   0.194853   0.196153  -0.044979
-    1SOL     O4    4  -0.122708  -0.141917   0.044454
-    1SOL     H5    5  -0.193768  -0.081655   0.022517
-    1SOL     H6    6  -0.088324  -0.109227   0.127589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.129233   0.142757   0.009706
-    0SOL     H2    2  -0.192761   0.078946  -0.022770
-    0SOL     H3    3  -0.154240   0.157209   0.100964
-    1SOL     O4    4   0.129368  -0.144345  -0.013367
-    1SOL     H5    5   0.130853  -0.057847   0.027598
-    1SOL     H6    6   0.215603  -0.153155  -0.053966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031382  -0.103921  -0.160713
-    0SOL     H2    2  -0.004401  -0.140007  -0.241829
-    0SOL     H3    3   0.005272  -0.011838  -0.161841
-    1SOL     O4    4  -0.023085   0.103729   0.161283
-    1SOL     H5    5  -0.054136   0.132058   0.247281
-    1SOL     H6    6  -0.072399   0.023726   0.143120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045979   0.126284   0.149467
-    0SOL     H2    2  -0.035464   0.221037   0.158049
-    0SOL     H3    3  -0.018957   0.107176   0.059651
-    1SOL     O4    4   0.041822  -0.126915  -0.139591
-    1SOL     H5    5   0.019348  -0.101706  -0.229155
-    1SOL     H6    6   0.098557  -0.203345  -0.149691
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015714   0.028694   0.204605
-    0SOL     H2    2   0.023248   0.090263   0.142528
-    0SOL     H3    3  -0.009453   0.072828   0.289312
-    1SOL     O4    4   0.015324  -0.040778  -0.208707
-    1SOL     H5    5   0.065344   0.037404  -0.185301
-    1SOL     H6    6  -0.075239  -0.018745  -0.186908
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.208971   0.002284  -0.029083
-    0SOL     H2    2  -0.271973  -0.028165   0.036230
-    0SOL     H3    3  -0.138871  -0.062862  -0.027006
-    1SOL     O4    4   0.202589   0.000920   0.026564
-    1SOL     H5    5   0.265043  -0.040894  -0.032710
-    1SOL     H6    6   0.249520   0.076795   0.061244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069676  -0.198721  -0.050647
-    0SOL     H2    2  -0.001413  -0.243522  -0.096490
-    0SOL     H3    3   0.054014  -0.105739  -0.067119
-    1SOL     O4    4  -0.070644   0.193230   0.053304
-    1SOL     H5    5   0.014616   0.167505   0.018213
-    1SOL     H6    6  -0.052257   0.270399   0.106869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013703  -0.162760   0.160904
-    0SOL     H2    2   0.001075  -0.224941   0.089235
-    0SOL     H3    3  -0.048666  -0.092413   0.142912
-    1SOL     O4    4  -0.011701   0.165771  -0.149933
-    1SOL     H5    5   0.077970   0.157990  -0.182504
-    1SOL     H6    6  -0.064800   0.119049  -0.214430
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002559   0.171475   0.145998
-    0SOL     H2    2   0.043233   0.239555   0.199599
-    0SOL     H3    3   0.036988   0.186483   0.057954
-    1SOL     O4    4  -0.005940  -0.170487  -0.147371
-    1SOL     H5    5  -0.085995  -0.201487  -0.105033
-    1SOL     H6    6   0.058266  -0.239509  -0.130762
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.146992   0.093331  -0.145854
-    0SOL     H2    2   0.075807   0.044853  -0.187626
-    0SOL     H3    3   0.226608   0.058036  -0.185575
-    1SOL     O4    4  -0.141654  -0.093671   0.151039
-    1SOL     H5    5  -0.223457  -0.095303   0.200718
-    1SOL     H6    6  -0.152833  -0.021855   0.088751
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059640  -0.225847  -0.004913
-    0SOL     H2    2  -0.041417  -0.144451   0.042043
-    0SOL     H3    3   0.020614  -0.243775  -0.053904
-    1SOL     O4    4   0.055951   0.226751   0.007208
-    1SOL     H5    5   0.042693   0.138659   0.042229
-    1SOL     H6    6   0.026901   0.221013  -0.083816
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042500   0.196835  -0.108412
-    0SOL     H2    2  -0.138219   0.196466  -0.108298
-    0SOL     H3    3  -0.018796   0.283553  -0.075543
-    1SOL     O4    4   0.041745  -0.199207   0.111945
-    1SOL     H5    5   0.097037  -0.277331   0.113274
-    1SOL     H6    6   0.056778  -0.160631   0.025641
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065970   0.165359  -0.161168
-    0SOL     H2    2  -0.011749   0.201723  -0.231169
-    0SOL     H3    3  -0.083421   0.239589  -0.103308
-    1SOL     O4    4   0.059362  -0.170665   0.167746
-    1SOL     H5    5   0.057451  -0.124486   0.083924
-    1SOL     H6    6   0.131896  -0.232564   0.159395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003222  -0.239886   0.068452
-    0SOL     H2    2  -0.083748  -0.277669   0.055382
-    0SOL     H3    3   0.001344  -0.157765   0.019310
-    1SOL     O4    4   0.000214   0.243767  -0.065236
-    1SOL     H5    5  -0.052847   0.169043  -0.037611
-    1SOL     H6    6   0.084441   0.205574  -0.089922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101043   0.227918   0.027077
-    0SOL     H2    2  -0.107892   0.211942   0.121206
-    0SOL     H3    3  -0.111639   0.141529  -0.012760
-    1SOL     O4    4   0.104350  -0.218060  -0.025300
-    1SOL     H5    5   0.077170  -0.309691  -0.020082
-    1SOL     H6    6   0.091973  -0.194556  -0.117260
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086977  -0.220179   0.078789
-    0SOL     H2    2  -0.159209  -0.258881   0.029322
-    0SOL     H3    3  -0.039061  -0.167987   0.014427
-    1SOL     O4    4   0.092399   0.213754  -0.072178
-    1SOL     H5    5   0.015869   0.227903  -0.127904
-    1SOL     H6    6   0.100261   0.294431  -0.021269
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094876   0.190318  -0.119695
-    0SOL     H2    2  -0.133208   0.239917  -0.192034
-    0SOL     H3    3  -0.024641   0.246374  -0.086723
-    1SOL     O4    4   0.095089  -0.191129   0.117056
-    1SOL     H5    5   0.149840  -0.235440   0.181873
-    1SOL     H6    6   0.007303  -0.226375   0.131673
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034622  -0.069981  -0.248456
-    0SOL     H2    2   0.110131  -0.077140  -0.306847
-    0SOL     H3    3  -0.029595  -0.131029  -0.284673
-    1SOL     O4    4  -0.039822   0.073271   0.259916
-    1SOL     H5    5  -0.052359   0.038176   0.171748
-    1SOL     H6    6   0.043710   0.119809   0.255568
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013261  -0.126935  -0.238962
-    0SOL     H2    2  -0.037064  -0.212821  -0.273879
-    0SOL     H3    3   0.052358  -0.145664  -0.171837
-    1SOL     O4    4   0.008924   0.132118   0.242521
-    1SOL     H5    5   0.084910   0.186422   0.221555
-    1SOL     H6    6  -0.027523   0.107943   0.157377
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001267  -0.204489  -0.192797
-    0SOL     H2    2  -0.088868  -0.231420  -0.165172
-    0SOL     H3    3   0.055243  -0.277705  -0.168131
-    1SOL     O4    4   0.004009   0.211254   0.196247
-    1SOL     H5    5  -0.011413   0.129367   0.149141
-    1SOL     H6    6   0.003540   0.278551   0.128180
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025914   0.300344  -0.011158
-    0SOL     H2    2  -0.002335   0.392819  -0.018552
-    0SOL     H3    3  -0.116972   0.296383  -0.040399
-    1SOL     O4    4   0.027486  -0.310810   0.017168
-    1SOL     H5    5  -0.014102  -0.224903   0.009910
-    1SOL     H6    6   0.102493  -0.306248  -0.042122
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.098338   0.240452  -0.167876
-    0SOL     H2    2   0.155224   0.210284  -0.238701
-    0SOL     H3    3   0.022731   0.278659  -0.212443
-    1SOL     O4    4  -0.090949  -0.244396   0.174796
-    1SOL     H5    5  -0.107778  -0.152903   0.152254
-    1SOL     H6    6  -0.176785  -0.279421   0.198624
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036242  -0.238114   0.211589
-    0SOL     H2    2  -0.092816  -0.271726   0.281101
-    0SOL     H3    3   0.035992  -0.195650   0.257864
-    1SOL     O4    4   0.039010   0.232621  -0.220753
-    1SOL     H5    5   0.050253   0.326496  -0.235698
-    1SOL     H6    6  -0.036686   0.226493  -0.162487
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146955   0.284751  -0.098873
-    0SOL     H2    2  -0.235002   0.256756  -0.073849
-    0SOL     H3    3  -0.144402   0.273808  -0.193931
-    1SOL     O4    4   0.147159  -0.279940   0.098900
-    1SOL     H5    5   0.190156  -0.236712   0.172690
-    1SOL     H6    6   0.180549  -0.369626   0.100854
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001596   0.302515   0.202169
-    0SOL     H2    2   0.011869   0.277226   0.293500
-    0SOL     H3    3   0.058741   0.247017   0.152754
-    1SOL     O4    4  -0.001260  -0.294677  -0.210176
-    1SOL     H5    5  -0.063665  -0.275710  -0.140118
-    1SOL     H6    6   0.042508  -0.375080  -0.182210
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007179  -0.349590  -0.147969
-    0SOL     H2    2   0.013756  -0.267920  -0.102647
-    0SOL     H3    3  -0.000094  -0.327941  -0.240939
-    1SOL     O4    4   0.007442   0.343297   0.156757
-    1SOL     H5    5  -0.074497   0.317767   0.114371
-    1SOL     H6    6   0.059054   0.383567   0.086922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094516  -0.380566  -0.053248
-    0SOL     H2    2   0.064859  -0.465524  -0.020615
-    0SOL     H3    3   0.018976  -0.322855  -0.042045
-    1SOL     O4    4  -0.083890   0.384818   0.054376
-    1SOL     H5    5  -0.166825   0.424556   0.027822
-    1SOL     H6    6  -0.085597   0.297407   0.015405
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000391  -0.393274  -0.179626
-    0SOL     H2    2   0.038254  -0.310973  -0.148717
-    0SOL     H3    3   0.021198  -0.395681  -0.273026
-    1SOL     O4    4  -0.003965   0.383294   0.188131
-    1SOL     H5    5  -0.040657   0.471572   0.192932
-    1SOL     H6    6   0.033021   0.377437   0.100039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029735   0.107240   0.438981
-    0SOL     H2    2  -0.110149   0.112491   0.387325
-    0SOL     H3    3   0.016820   0.031604   0.403288
-    1SOL     O4    4   0.030375  -0.097215  -0.432599
-    1SOL     H5    5   0.114664  -0.136703  -0.454924
-    1SOL     H6    6  -0.032261  -0.169346  -0.438603
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.114985   0.297577   0.335259
-    0SOL     H2    2   0.054757   0.267842   0.267062
-    0SOL     H3    3   0.163151   0.369791   0.294917
-    1SOL     O4    4  -0.113878  -0.297679  -0.322644
-    1SOL     H5    5  -0.102535  -0.243097  -0.400454
-    1SOL     H6    6  -0.131315  -0.385263  -0.357102
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061199  -0.452446  -0.117492
-    0SOL     H2    2   0.119197  -0.468502  -0.191929
-    0SOL     H3    3   0.056869  -0.357074  -0.110577
-    1SOL     O4    4  -0.060972   0.441891   0.120627
-    1SOL     H5    5  -0.031751   0.519561   0.168333
-    1SOL     H6    6  -0.149296   0.463785   0.090930
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007033   0.410474   0.370969
-    0SOL     H2    2  -0.009107   0.319426   0.346228
-    0SOL     H3    3  -0.070950   0.436157   0.420175
-    1SOL     O4    4  -0.001863  -0.402560  -0.367099
-    1SOL     H5    5   0.069390  -0.452072  -0.407521
-    1SOL     H6    6  -0.079584  -0.426989  -0.417350
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/300K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112875   0.630746   0.170290
-    0SOL     H2    2   0.111435   0.722309   0.198155
-    0SOL     H3    3   0.142244   0.633830   0.079239
-    1SOL     O4    4  -0.116151  -0.642039  -0.166482
-    1SOL     H5    5  -0.171633  -0.564610  -0.175902
-    1SOL     H6    6  -0.027451  -0.607102  -0.157878
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117774  -0.001136   0.038541
-    0SOL     H2    2   0.190896   0.060591   0.040817
-    0SOL     H3    3   0.099809  -0.020463   0.130552
-    1SOL     O4    4  -0.122979  -0.001601  -0.050979
-    1SOL     H5    5  -0.181989  -0.001929   0.024387
-    1SOL     H6    6  -0.035244   0.000393  -0.012756
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.097451  -0.011747  -0.093333
-    0SOL     H2    2   0.086991  -0.105898  -0.107066
-    0SOL     H3    3   0.043069   0.007554  -0.016963
-    1SOL     O4    4  -0.088475   0.020756   0.089317
-    1SOL     H5    5  -0.084800  -0.069839   0.119999
-    1SOL     H6    6  -0.179701   0.033615   0.063342
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055231   0.096782  -0.058073
-    0SOL     H2    2   0.088341   0.171475  -0.008202
-    0SOL     H3    3   0.016896   0.135550  -0.136748
-    1SOL     O4    4  -0.051818  -0.108816   0.058701
-    1SOL     H5    5  -0.119144  -0.090889   0.124337
-    1SOL     H6    6  -0.038658  -0.025035   0.014318
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072086  -0.090147   0.073266
-    0SOL     H2    2  -0.020895  -0.020684   0.031835
-    0SOL     H3    3  -0.007432  -0.156490   0.097367
-    1SOL     O4    4   0.069092   0.085696  -0.068795
-    1SOL     H5    5   0.050160   0.088451  -0.162584
-    1SOL     H6    6   0.023270   0.161647  -0.032821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062311  -0.031818  -0.106437
-    0SOL     H2    2   0.091909  -0.122253  -0.116819
-    0SOL     H3    3   0.132339   0.020915  -0.144876
-    1SOL     O4    4  -0.066579   0.037693   0.115077
-    1SOL     H5    5  -0.151398   0.006121   0.083914
-    1SOL     H6    6  -0.004202   0.008488   0.048605
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084927   0.013960   0.109501
-    0SOL     H2    2  -0.043756   0.025140   0.023814
-    0SOL     H3    3  -0.011620   0.003776   0.170203
-    1SOL     O4    4   0.076178  -0.008645  -0.104954
-    1SOL     H5    5   0.134587  -0.015559  -0.180472
-    1SOL     H6    6   0.053294  -0.099183  -0.083945
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124260  -0.060198  -0.010399
-    0SOL     H2    2   0.118850  -0.107473   0.072655
-    0SOL     H3    3   0.041269  -0.012899  -0.016541
-    1SOL     O4    4  -0.115294   0.055522   0.006704
-    1SOL     H5    5  -0.112081   0.126878  -0.057016
-    1SOL     H6    6  -0.194342   0.072611   0.057906
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040418   0.123293  -0.011350
-    0SOL     H2    2  -0.086736   0.152386  -0.089903
-    0SOL     H3    3  -0.105464   0.129610   0.058588
-    1SOL     O4    4   0.051229  -0.126710   0.017082
-    1SOL     H5    5   0.025246  -0.193054  -0.046838
-    1SOL     H6    6   0.011279  -0.045762  -0.014757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071107   0.117281  -0.023945
-    0SOL     H2    2  -0.025825   0.034281  -0.009018
-    0SOL     H3    3  -0.064729   0.163471   0.059651
-    1SOL     O4    4   0.066529  -0.110609   0.022486
-    1SOL     H5    5   0.016700  -0.189183   0.000003
-    1SOL     H6    6   0.144658  -0.115150  -0.032628
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039054  -0.059748  -0.121929
-    0SOL     H2    2  -0.015065   0.014533  -0.066529
-    0SOL     H3    3   0.021901  -0.129127  -0.096763
-    1SOL     O4    4   0.032399   0.057471   0.110410
-    1SOL     H5    5   0.011854   0.139356   0.155522
-    1SOL     H6    6   0.079197   0.005259   0.175572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038105   0.113668  -0.055941
-    0SOL     H2    2  -0.004634   0.101040  -0.140654
-    0SOL     H3    3   0.017392   0.203957  -0.031833
-    1SOL     O4    4  -0.041099  -0.118211   0.061901
-    1SOL     H5    5   0.026438  -0.184381   0.076821
-    1SOL     H6    6   0.002206  -0.051226   0.008986
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044305  -0.094003  -0.098951
-    0SOL     H2    2   0.054477  -0.020273  -0.038762
-    0SOL     H3    3  -0.049822  -0.111367  -0.099938
-    1SOL     O4    4  -0.034183   0.085375   0.095521
-    1SOL     H5    5  -0.022874   0.179523   0.082461
-    1SOL     H6    6  -0.128882   0.073327   0.102554
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059355  -0.108216   0.063042
-    0SOL     H2    2   0.038148  -0.200036   0.046257
-    0SOL     H3    3  -0.011286  -0.059194   0.020983
-    1SOL     O4    4  -0.047946   0.109406  -0.057307
-    1SOL     H5    5  -0.082530   0.074922  -0.139630
-    1SOL     H6    6  -0.119829   0.161022  -0.020826
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022174  -0.064585   0.123781
-    0SOL     H2    2   0.021317  -0.011559   0.044095
-    0SOL     H3    3  -0.031255  -0.015245   0.186016
-    1SOL     O4    4  -0.013619   0.059920  -0.118638
-    1SOL     H5    5  -0.027420  -0.004236  -0.188322
-    1SOL     H6    6  -0.094480   0.111108  -0.116784
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.130151   0.043732   0.033014
-    0SOL     H2    2   0.197196  -0.015850  -0.000409
-    0SOL     H3    3   0.048032  -0.004372   0.022771
-    1SOL     O4    4  -0.125157  -0.038757  -0.024924
-    1SOL     H5    5  -0.152195  -0.095352  -0.097232
-    1SOL     H6    6  -0.164628   0.046140  -0.044844
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018907   0.119143  -0.075069
-    0SOL     H2    2  -0.018243   0.108801  -0.162678
-    0SOL     H3    3   0.012712   0.032009  -0.035936
-    1SOL     O4    4  -0.017214  -0.107600   0.073541
-    1SOL     H5    5   0.060826  -0.162450   0.081514
-    1SOL     H6    6  -0.076960  -0.140999   0.140453
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018502  -0.076778  -0.114050
-    0SOL     H2    2  -0.067416  -0.115504  -0.097293
-    0SOL     H3    3   0.079261  -0.130062  -0.062752
-    1SOL     O4    4  -0.017192   0.080002   0.116198
-    1SOL     H5    5  -0.007616   0.028855   0.035857
-    1SOL     H6    6  -0.026026   0.170454   0.086154
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042704   0.111364  -0.064393
-    0SOL     H2    2   0.020040   0.183204  -0.072426
-    0SOL     H3    3  -0.111772   0.146026  -0.007908
-    1SOL     O4    4   0.046360  -0.113064   0.065710
-    1SOL     H5    5   0.048863  -0.208741   0.067123
-    1SOL     H6    6  -0.016033  -0.091712  -0.003669
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021390  -0.129832  -0.024431
-    0SOL     H2    2  -0.012353  -0.195879  -0.084942
-    0SOL     H3    3   0.116563  -0.136999  -0.031719
-    1SOL     O4    4  -0.022142   0.135666   0.034264
-    1SOL     H5    5  -0.006870   0.055768  -0.016188
-    1SOL     H6    6  -0.083887   0.186079  -0.018731
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130057   0.016466   0.062548
-    0SOL     H2    2  -0.143651  -0.050251  -0.004730
-    0SOL     H3    3  -0.038025   0.041200   0.053568
-    1SOL     O4    4   0.120240  -0.017545  -0.061490
-    1SOL     H5    5   0.188887   0.031028  -0.107213
-    1SOL     H6    6   0.144085  -0.011463   0.031013
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088897  -0.055983  -0.100516
-    0SOL     H2    2   0.036006  -0.084748  -0.174930
-    0SOL     H3    3   0.025047  -0.035159  -0.032312
-    1SOL     O4    4  -0.082412   0.059452   0.094479
-    1SOL     H5    5  -0.150329   0.008383   0.138542
-    1SOL     H6    6  -0.008411   0.058396   0.155184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026030  -0.009500  -0.138095
-    0SOL     H2    2   0.071705  -0.092413  -0.123897
-    0SOL     H3    3   0.095961   0.055389  -0.145928
-    1SOL     O4    4  -0.030896   0.016566   0.140908
-    1SOL     H5    5  -0.091720  -0.050396   0.172194
-    1SOL     H6    6   0.000015  -0.016595   0.056604
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117440  -0.074166  -0.013531
-    0SOL     H2    2   0.079110  -0.161727  -0.018648
-    0SOL     H3    3   0.154243  -0.058955  -0.100575
-    1SOL     O4    4  -0.123560   0.077688   0.019847
-    1SOL     H5    5  -0.054614   0.011290   0.019524
-    1SOL     H6    6  -0.078445   0.159238  -0.001984
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014837   0.069097   0.119639
-    0SOL     H2    2  -0.107225   0.062955   0.143908
-    0SOL     H3    3   0.030746   0.016220   0.185126
-    1SOL     O4    4   0.015058  -0.066333  -0.131249
-    1SOL     H5    5  -0.010830  -0.003111  -0.064204
-    1SOL     H6    6   0.087524  -0.114847  -0.091783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063021   0.041986   0.119247
-    0SOL     H2    2   0.000686  -0.009668   0.168598
-    0SOL     H3    3  -0.034361   0.132611   0.130556
-    1SOL     O4    4   0.059280  -0.040117  -0.128166
-    1SOL     H5    5   0.085646  -0.131661  -0.118845
-    1SOL     H6    6   0.013369  -0.019945  -0.046633
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009837  -0.040538  -0.132495
-    0SOL     H2    2  -0.050175  -0.114797  -0.177447
-    0SOL     H3    3  -0.070961   0.031852  -0.146130
-    1SOL     O4    4   0.011433   0.038383   0.140378
-    1SOL     H5    5   0.080874   0.102763   0.154357
-    1SOL     H6    6   0.020304   0.013085   0.048489
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004558  -0.047586  -0.137932
-    0SOL     H2    2   0.017346  -0.021413  -0.048503
-    0SOL     H3    3   0.080045  -0.064462  -0.179403
-    1SOL     O4    4  -0.000603   0.046422   0.128473
-    1SOL     H5    5  -0.012192  -0.021031   0.195392
-    1SOL     H6    6  -0.009153   0.129079   0.175983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019699   0.144605   0.028851
-    0SOL     H2    2  -0.112255   0.150330   0.005123
-    0SOL     H3    3  -0.000543   0.050823   0.028315
-    1SOL     O4    4   0.022572  -0.137090  -0.021303
-    1SOL     H5    5  -0.036826  -0.171409  -0.088059
-    1SOL     H6    6   0.109454  -0.143327  -0.060990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083031   0.123677  -0.009538
-    0SOL     H2    2  -0.148915   0.095361  -0.072939
-    0SOL     H3    3  -0.020862   0.051009  -0.005454
-    1SOL     O4    4   0.083909  -0.110743   0.014450
-    1SOL     H5    5   0.128427  -0.165939  -0.049845
-    1SOL     H6    6   0.023911  -0.170107   0.059599
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099886   0.096401  -0.055395
-    0SOL     H2    2   0.156381   0.122506   0.017332
-    0SOL     H3    3   0.028198   0.048314  -0.014033
-    1SOL     O4    4  -0.097933  -0.091908   0.054847
-    1SOL     H5    5  -0.066971  -0.178255   0.027500
-    1SOL     H6    6  -0.145396  -0.058252  -0.021158
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073760   0.112064  -0.065480
-    0SOL     H2    2  -0.065681   0.188456  -0.008371
-    0SOL     H3    3  -0.032249   0.041030  -0.016558
-    1SOL     O4    4   0.071894  -0.105413   0.059201
-    1SOL     H5    5   0.006735  -0.151638   0.111924
-    1SOL     H6    6   0.115843  -0.174389   0.009471
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118166  -0.062546   0.052973
-    0SOL     H2    2  -0.085646  -0.142341   0.094657
-    0SOL     H3    3  -0.133333  -0.002020   0.125561
-    1SOL     O4    4   0.116786   0.071654  -0.058662
-    1SOL     H5    5   0.048139   0.008254  -0.037917
-    1SOL     H6    6   0.191151   0.018236  -0.086568
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123467  -0.074007   0.000281
-    0SOL     H2    2   0.080539  -0.159541   0.002149
-    0SOL     H3    3   0.170523  -0.072588  -0.083062
-    1SOL     O4    4  -0.123407   0.083098  -0.000150
-    1SOL     H5    5  -0.060437   0.012040   0.012011
-    1SOL     H6    6  -0.189077   0.068900   0.068028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070040  -0.016971   0.128369
-    0SOL     H2    2   0.023773  -0.100766   0.128519
-    0SOL     H3    3   0.157082  -0.037678   0.094351
-    1SOL     O4    4  -0.073413   0.016256  -0.129022
-    1SOL     H5    5  -0.041686   0.041050  -0.042183
-    1SOL     H6    6  -0.073235   0.097971  -0.178871
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037662   0.075852   0.117006
-    0SOL     H2    2  -0.014311   0.066510   0.196843
-    0SOL     H3    3   0.013410   0.161780   0.082500
-    1SOL     O4    4  -0.039585  -0.080295  -0.119695
-    1SOL     H5    5   0.024105  -0.024323  -0.075276
-    1SOL     H6    6   0.013507  -0.145836  -0.164949
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030898   0.133178  -0.040948
-    0SOL     H2    2   0.006679   0.194593  -0.104023
-    0SOL     H3    3  -0.038000   0.183455   0.040195
-    1SOL     O4    4   0.033252  -0.143898   0.036154
-    1SOL     H5    5  -0.004848  -0.061626   0.005461
-    1SOL     H6    6   0.003078  -0.152039   0.126628
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113179   0.012476  -0.093373
-    0SOL     H2    2  -0.045320   0.029086  -0.158807
-    0SOL     H3    3  -0.178125   0.081217  -0.108169
-    1SOL     O4    4   0.118741  -0.013820   0.099872
-    1SOL     H5    5   0.047393   0.010423   0.040845
-    1SOL     H6    6   0.097457  -0.102815   0.127964
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015082   0.132717   0.081890
-    0SOL     H2    2   0.014762   0.167959  -0.001953
-    0SOL     H3    3  -0.021998   0.038388   0.067177
-    1SOL     O4    4   0.013913  -0.123001  -0.078350
-    1SOL     H5    5   0.083524  -0.176835  -0.040686
-    1SOL     H6    6  -0.062969  -0.180023  -0.078749
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046479  -0.015510   0.147773
-    0SOL     H2    2  -0.086616  -0.102400   0.146583
-    0SOL     H3    3  -0.018143  -0.000926   0.057514
-    1SOL     O4    4   0.043161   0.020614  -0.135795
-    1SOL     H5    5   0.040587  -0.047608  -0.202888
-    1SOL     H6    6   0.110820   0.081288  -0.165847
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019055   0.143310   0.018034
-    0SOL     H2    2   0.031158   0.209686   0.065311
-    0SOL     H3    3  -0.110194   0.161109   0.041254
-    1SOL     O4    4   0.022267  -0.152128  -0.016319
-    1SOL     H5    5   0.034118  -0.057193  -0.019334
-    1SOL     H6    6   0.001129  -0.176548  -0.106426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058255   0.132895   0.036328
-    0SOL     H2    2  -0.109844   0.081844  -0.026080
-    0SOL     H3    3  -0.120622   0.195080   0.073822
-    1SOL     O4    4   0.069143  -0.138583  -0.036492
-    1SOL     H5    5   0.072809  -0.047458  -0.065563
-    1SOL     H6    6  -0.006708  -0.142148   0.021785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022415  -0.088257   0.122385
-    0SOL     H2    2  -0.073281  -0.086291   0.123290
-    0SOL     H3    3   0.048022  -0.048556   0.205635
-    1SOL     O4    4  -0.017914   0.083700  -0.133350
-    1SOL     H5    5   0.039919   0.055075  -0.062651
-    1SOL     H6    6  -0.076041   0.147756  -0.092357
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127996   0.078466   0.050224
-    0SOL     H2    2   0.067342   0.146681   0.021414
-    0SOL     H3    3   0.097756   0.054951   0.137945
-    1SOL     O4    4  -0.127373  -0.078614  -0.050319
-    1SOL     H5    5  -0.034823  -0.088545  -0.027999
-    1SOL     H6    6  -0.134433  -0.113132  -0.139319
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139376  -0.038198  -0.076445
-    0SOL     H2    2  -0.111716   0.023812  -0.143913
-    0SOL     H3    3  -0.070546  -0.033736  -0.010077
-    1SOL     O4    4   0.132537   0.038637   0.071448
-    1SOL     H5    5   0.087451   0.040687   0.155860
-    1SOL     H6    6   0.184507  -0.041708   0.073945
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031057  -0.158359   0.031362
-    0SOL     H2    2  -0.068830  -0.090267  -0.024308
-    0SOL     H3    3  -0.048359  -0.128655   0.120697
-    1SOL     O4    4   0.041217   0.152928  -0.034586
-    1SOL     H5    5  -0.003021   0.166021   0.049282
-    1SOL     H6    6  -0.029041   0.130172  -0.095483
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006728   0.160552  -0.007621
-    0SOL     H2    2   0.055771   0.172276  -0.088982
-    0SOL     H3    3  -0.083620   0.146387  -0.035888
-    1SOL     O4    4  -0.002110  -0.157614   0.020236
-    1SOL     H5    5  -0.048875  -0.114763  -0.051451
-    1SOL     H6    6   0.006002  -0.248853  -0.007549
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099506  -0.097625   0.078960
-    0SOL     H2    2   0.097893  -0.101133   0.174602
-    0SOL     H3    3   0.019652  -0.142959   0.051933
-    1SOL     O4    4  -0.095173   0.106646  -0.084813
-    1SOL     H5    5  -0.155099   0.033420  -0.099275
-    1SOL     H6    6  -0.019379   0.067427  -0.041460
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060849  -0.038288   0.151993
-    0SOL     H2    2  -0.105143  -0.122942   0.157824
-    0SOL     H3    3  -0.032251  -0.032395   0.060835
-    1SOL     O4    4   0.062800   0.044930  -0.141044
-    1SOL     H5    5   0.111811   0.064534  -0.220894
-    1SOL     H6    6  -0.004391  -0.017336  -0.168803
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078658   0.096235   0.114903
-    0SOL     H2    2  -0.028874   0.028901   0.068535
-    0SOL     H3    3  -0.167946   0.061918   0.118413
-    1SOL     O4    4   0.077636  -0.093865  -0.107416
-    1SOL     H5    5   0.148143  -0.029474  -0.100711
-    1SOL     H6    6   0.066396  -0.107435  -0.201500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082979   0.132953   0.046684
-    0SOL     H2    2  -0.172566   0.134464   0.080361
-    0SOL     H3    3  -0.092469   0.147604  -0.047431
-    1SOL     O4    4   0.083119  -0.136239  -0.046358
-    1SOL     H5    5   0.091524  -0.083950   0.033377
-    1SOL     H6    6   0.173306  -0.152629  -0.073926
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069656  -0.116878  -0.091913
-    0SOL     H2    2   0.031463  -0.186292  -0.145628
-    0SOL     H3    3   0.119596  -0.163268  -0.024709
-    1SOL     O4    4  -0.069117   0.126974   0.085577
-    1SOL     H5    5  -0.061938   0.033228   0.103535
-    1SOL     H6    6  -0.101347   0.164691   0.167437
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.160868  -0.047272  -0.035415
-    0SOL     H2    2   0.199437  -0.062615  -0.121667
-    0SOL     H3    3   0.083785  -0.103976  -0.033164
-    1SOL     O4    4  -0.157380   0.046232   0.036098
-    1SOL     H5    5  -0.243122   0.082384   0.058539
-    1SOL     H6    6  -0.095155   0.099578   0.085540
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061011   0.116282   0.113690
-    0SOL     H2    2   0.026002   0.070968   0.036986
-    0SOL     H3    3   0.050549   0.209259   0.093486
-    1SOL     O4    4  -0.057551  -0.124553  -0.105362
-    1SOL     H5    5  -0.111782  -0.051846  -0.074786
-    1SOL     H6    6  -0.025213  -0.096082  -0.190838
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007376   0.128193   0.105978
-    0SOL     H2    2  -0.009997   0.144315   0.200294
-    0SOL     H3    3  -0.077736   0.182463   0.070390
-    1SOL     O4    4   0.012115  -0.135617  -0.104266
-    1SOL     H5    5   0.083001  -0.125137  -0.167730
-    1SOL     H6    6  -0.060937  -0.086234  -0.141509
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.114511  -0.111857   0.076525
-    0SOL     H2    2   0.081130  -0.132784  -0.010711
-    0SOL     H3    3   0.036124  -0.103177   0.130770
-    1SOL     O4    4  -0.109348   0.114534  -0.068542
-    1SOL     H5    5  -0.168234   0.087482  -0.138990
-    1SOL     H6    6  -0.021690   0.106634  -0.106172
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039445  -0.093917  -0.137231
-    0SOL     H2    2   0.005344  -0.144809  -0.063682
-    0SOL     H3    3   0.089372  -0.157070  -0.189013
-    1SOL     O4    4  -0.037111   0.094875   0.139222
-    1SOL     H5    5  -0.113653   0.143601   0.169706
-    1SOL     H6    6  -0.012808   0.137367   0.056966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061052   0.152462  -0.084833
-    0SOL     H2    2   0.021447   0.105919  -0.098620
-    0SOL     H3    3  -0.112571   0.094024  -0.029217
-    1SOL     O4    4   0.054900  -0.151298   0.081548
-    1SOL     H5    5   0.092120  -0.095882   0.012947
-    1SOL     H6    6   0.096221  -0.120601   0.162249
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062519  -0.003917   0.174256
-    0SOL     H2    2  -0.002445  -0.061496   0.133924
-    0SOL     H3    3   0.136781  -0.061204   0.193379
-    1SOL     O4    4  -0.057872   0.008196  -0.177047
-    1SOL     H5    5  -0.098167   0.094999  -0.179011
-    1SOL     H6    6  -0.102638  -0.037437  -0.105801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034557  -0.019811  -0.187000
-    0SOL     H2    2  -0.115707   0.029393  -0.174505
-    0SOL     H3    3  -0.056934  -0.109610  -0.162551
-    1SOL     O4    4   0.037439   0.016470   0.184068
-    1SOL     H5    5   0.047763   0.071090   0.261994
-    1SOL     H6    6   0.082908   0.064519   0.114886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023200   0.106602  -0.151371
-    0SOL     H2    2   0.064267   0.174644  -0.098023
-    0SOL     H3    3   0.025792   0.141217  -0.240576
-    1SOL     O4    4  -0.023784  -0.110871   0.159921
-    1SOL     H5    5  -0.084647  -0.180093   0.134107
-    1SOL     H6    6   0.004476  -0.071714   0.077275
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.191528   0.046472   0.025515
-    0SOL     H2    2  -0.196514  -0.039745   0.066796
-    0SOL     H3    3  -0.276751   0.086404   0.042973
-    1SOL     O4    4   0.191948  -0.042914  -0.025205
-    1SOL     H5    5   0.284616  -0.030861  -0.004478
-    1SOL     H6    6   0.191552  -0.075968  -0.115037
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140209   0.097150  -0.110933
-    0SOL     H2    2  -0.091913   0.014741  -0.104724
-    0SOL     H3    3  -0.212259   0.078271  -0.171055
-    1SOL     O4    4   0.136109  -0.091053   0.109973
-    1SOL     H5    5   0.142414  -0.070304   0.203204
-    1SOL     H6    6   0.222545  -0.125226   0.087094
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007325   0.122194  -0.169613
-    0SOL     H2    2   0.032791   0.122276  -0.082705
-    0SOL     H3    3  -0.101080   0.112797  -0.152759
-    1SOL     O4    4   0.006533  -0.116554   0.165887
-    1SOL     H5    5   0.020967  -0.201903   0.206748
-    1SOL     H6    6   0.060157  -0.118517   0.086623
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059729   0.068279   0.194082
-    0SOL     H2    2  -0.015359   0.089634   0.138692
-    0SOL     H3    3   0.103425  -0.003704   0.148569
-    1SOL     O4    4  -0.058884  -0.071683  -0.188411
-    1SOL     H5    5  -0.015252  -0.019542  -0.255789
-    1SOL     H6    6  -0.088257  -0.007549  -0.123708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028811   0.076133   0.189896
-    0SOL     H2    2   0.116763   0.107038   0.168183
-    0SOL     H3    3   0.035220   0.047599   0.281039
-    1SOL     O4    4  -0.032596  -0.074571  -0.199698
-    1SOL     H5    5  -0.029928  -0.159843  -0.156293
-    1SOL     H6    6  -0.061910  -0.013930  -0.131686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046826   0.184513  -0.102872
-    0SOL     H2    2   0.032202   0.208532  -0.054499
-    0SOL     H3    3  -0.024187   0.199304  -0.194692
-    1SOL     O4    4   0.037393  -0.181258   0.106314
-    1SOL     H5    5   0.036534  -0.236065   0.027843
-    1SOL     H6    6   0.098862  -0.224834   0.165349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122145  -0.168121  -0.101547
-    0SOL     H2    2   0.102034  -0.157986  -0.008514
-    0SOL     H3    3   0.038032  -0.156384  -0.145701
-    1SOL     O4    4  -0.116420   0.169187   0.092439
-    1SOL     H5    5  -0.060207   0.098823   0.124863
-    1SOL     H6    6  -0.166474   0.197165   0.169082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034777   0.219544  -0.062217
-    0SOL     H2    2   0.023071   0.151066  -0.095783
-    0SOL     H3    3  -0.101198   0.230348  -0.130290
-    1SOL     O4    4   0.039784  -0.213893   0.070800
-    1SOL     H5    5  -0.052552  -0.202417   0.093263
-    1SOL     H6    6   0.038894  -0.271284  -0.005802
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029327  -0.162179  -0.180211
-    0SOL     H2    2   0.105012  -0.139289  -0.126266
-    0SOL     H3    3  -0.042113  -0.109002  -0.145128
-    1SOL     O4    4  -0.028316   0.152486   0.170574
-    1SOL     H5    5  -0.074328   0.233740   0.149527
-    1SOL     H6    6  -0.006605   0.160566   0.263449
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051012  -0.242118  -0.025671
-    0SOL     H2    2   0.039149  -0.226687   0.002529
-    0SOL     H3    3  -0.092655  -0.156054  -0.021085
-    1SOL     O4    4   0.043967   0.230335   0.023460
-    1SOL     H5    5   0.137230   0.234284   0.002273
-    1SOL     H6    6   0.021282   0.319836   0.048706
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078025   0.066326  -0.231165
-    0SOL     H2    2   0.090183   0.161271  -0.231026
-    0SOL     H3    3   0.064646   0.043980  -0.323274
-    1SOL     O4    4  -0.078262  -0.068574   0.229560
-    1SOL     H5    5  -0.001484  -0.102686   0.275428
-    1SOL     H6    6  -0.146079  -0.063316   0.296905
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.133424  -0.107019   0.192003
-    0SOL     H2    2  -0.170025  -0.084341   0.106514
-    0SOL     H3    3  -0.209860  -0.122963   0.247370
-    1SOL     O4    4   0.136874   0.111668  -0.192080
-    1SOL     H5    5   0.231955   0.109809  -0.181188
-    1SOL     H6    6   0.108133   0.023856  -0.167074
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080999  -0.165490   0.188983
-    0SOL     H2    2  -0.066178  -0.259468   0.178457
-    0SOL     H3    3  -0.173626  -0.153320   0.168140
-    1SOL     O4    4   0.087848   0.167057  -0.181460
-    1SOL     H5    5   0.035885   0.125015  -0.249977
-    1SOL     H6    6   0.095295   0.258261  -0.209544
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037895   0.273049   0.013295
-    0SOL     H2    2   0.016319   0.287329  -0.078862
-    0SOL     H3    3   0.089869   0.192669   0.013598
-    1SOL     O4    4  -0.038538  -0.263160  -0.011658
-    1SOL     H5    5  -0.117945  -0.288193   0.035568
-    1SOL     H6    6   0.022503  -0.335174   0.004166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062673   0.262013  -0.027084
-    0SOL     H2    2  -0.154205   0.243177  -0.047804
-    0SOL     H3    3  -0.045391   0.346247  -0.069134
-    1SOL     O4    4   0.065094  -0.272266   0.032918
-    1SOL     H5    5   0.054382  -0.190468   0.081464
-    1SOL     H6    6   0.109081  -0.246506  -0.048100
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042795  -0.147482   0.237182
-    0SOL     H2    2   0.076480  -0.078589   0.179900
-    0SOL     H3    3  -0.046606  -0.162616   0.206510
-    1SOL     O4    4  -0.038098   0.144094  -0.238407
-    1SOL     H5    5  -0.101737   0.090714  -0.190836
-    1SOL     H6    6  -0.008628   0.208960  -0.174484
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022659   0.213609  -0.168899
-    0SOL     H2    2   0.081238   0.240300  -0.239740
-    0SOL     H3    3  -0.040747   0.284986  -0.162010
-    1SOL     O4    4  -0.028693  -0.219489   0.169001
-    1SOL     H5    5  -0.006312  -0.257372   0.254008
-    1SOL     H6    6   0.051603  -0.176080   0.140182
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018453   0.259786  -0.118063
-    0SOL     H2    2   0.063925   0.306922  -0.105640
-    0SOL     H3    3  -0.073782   0.320649  -0.167019
-    1SOL     O4    4   0.014757  -0.271114   0.116424
-    1SOL     H5    5  -0.039418  -0.210180   0.166568
-    1SOL     H6    6   0.104424  -0.240775   0.130621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045651  -0.181691   0.247404
-    0SOL     H2    2  -0.049810  -0.182578   0.240434
-    0SOL     H3    3   0.076380  -0.188992   0.157045
-    1SOL     O4    4  -0.039998   0.187291  -0.244625
-    1SOL     H5    5  -0.129066   0.170096  -0.214070
-    1SOL     H6    6   0.009240   0.108857  -0.220418
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082503   0.256735  -0.157156
-    0SOL     H2    2  -0.111840   0.200124  -0.228548
-    0SOL     H3    3  -0.073808   0.343258  -0.197162
-    1SOL     O4    4   0.085380  -0.259320   0.169979
-    1SOL     H5    5   0.052944  -0.178319   0.130621
-    1SOL     H6    6   0.087059  -0.322105   0.097745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116077   0.243886  -0.203017
-    0SOL     H2    2   0.125356   0.334785  -0.231542
-    0SOL     H3    3   0.125812   0.192468  -0.283165
-    1SOL     O4    4  -0.117391  -0.241580   0.213828
-    1SOL     H5    5  -0.047756  -0.304116   0.193764
-    1SOL     H6    6  -0.182071  -0.254619   0.144482
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122643   0.328441   0.119063
-    0SOL     H2    2  -0.218078   0.335799   0.119491
-    0SOL     H3    3  -0.102825   0.269080   0.191491
-    1SOL     O4    4   0.129666  -0.331874  -0.122642
-    1SOL     H5    5   0.158301  -0.255416  -0.172607
-    1SOL     H6    6   0.051695  -0.302094  -0.075781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.190846   0.083988   0.350231
-    0SOL     H2    2  -0.147633   0.012326   0.303759
-    0SOL     H3    3  -0.146233   0.162892   0.319471
-    1SOL     O4    4   0.183168  -0.078720  -0.345010
-    1SOL     H5    5   0.250509  -0.097612  -0.410361
-    1SOL     H6    6   0.169488  -0.162015  -0.299876
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036247   0.388808   0.112403
-    0SOL     H2    2   0.034938   0.330282   0.138282
-    0SOL     H3    3  -0.028495   0.463649   0.171572
-    1SOL     O4    4   0.029180  -0.395407  -0.115889
-    1SOL     H5    5   0.087648  -0.337803  -0.066639
-    1SOL     H6    6   0.008139  -0.346120  -0.195201
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007275  -0.424751  -0.157752
-    0SOL     H2    2  -0.018830  -0.455637  -0.067892
-    0SOL     H3    3   0.019394  -0.333293  -0.148450
-    1SOL     O4    4   0.011607   0.423736   0.155171
-    1SOL     H5    5  -0.009141   0.426974   0.061783
-    1SOL     H6    6  -0.061819   0.376530   0.194446
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.146787  -0.368681   0.237818
-    0SOL     H2    2   0.054745  -0.390711   0.252142
-    0SOL     H3    3   0.190746  -0.453324   0.229731
-    1SOL     O4    4  -0.144925   0.381182  -0.236401
-    1SOL     H5    5  -0.183493   0.336024  -0.311471
-    1SOL     H6    6  -0.088761   0.315546  -0.195173
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048476   0.274103  -0.381861
-    0SOL     H2    2  -0.026378   0.255632  -0.473145
-    0SOL     H3    3  -0.143707   0.283767  -0.381705
-    1SOL     O4    4   0.054371  -0.277516   0.391718
-    1SOL     H5    5  -0.028299  -0.229779   0.384713
-    1SOL     H6    6   0.101707  -0.255434   0.311505
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135583   0.116634   0.486683
-    0SOL     H2    2  -0.158572   0.156180   0.570766
-    0SOL     H3    3  -0.047313   0.148807   0.468364
-    1SOL     O4    4   0.128451  -0.126114  -0.490179
-    1SOL     H5    5   0.097123  -0.038441  -0.512416
-    1SOL     H6    6   0.221089  -0.113939  -0.469387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035521   0.466840  -0.249165
-    0SOL     H2    2  -0.037755   0.432409  -0.198102
-    0SOL     H3    3   0.003889   0.466897  -0.339507
-    1SOL     O4    4  -0.029343  -0.459692   0.255230
-    1SOL     H5    5   0.043437  -0.511871   0.221427
-    1SOL     H6    6  -0.107458  -0.500249   0.217607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/310K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002322  -0.488347  -0.373041
-    0SOL     H2    2  -0.082331  -0.460967  -0.408347
-    0SOL     H3    3   0.057466  -0.410394  -0.379740
-    1SOL     O4    4  -0.000872   0.481585   0.368444
-    1SOL     H5    5  -0.063458   0.450557   0.433886
-    1SOL     H6    6   0.063994   0.530839   0.418730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021867  -0.103257   0.054475
-    0SOL     H2    2   0.043436  -0.143598   0.111663
-    0SOL     H3    3  -0.101745  -0.100923   0.107166
-    1SOL     O4    4   0.020988   0.110801  -0.057214
-    1SOL     H5    5   0.062564   0.115892  -0.143283
-    1SOL     H6    6   0.011310   0.017006  -0.040746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016451   0.016625   0.123973
-    0SOL     H2    2  -0.024030   0.062173   0.197790
-    0SOL     H3    3   0.052823  -0.063283   0.162106
-    1SOL     O4    4  -0.022201  -0.016825  -0.132951
-    1SOL     H5    5   0.001412  -0.008333  -0.040579
-    1SOL     H6    6   0.056319   0.010478  -0.180401
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035758   0.093724  -0.093003
-    0SOL     H2    2   0.000896   0.048079  -0.169577
-    0SOL     H3    3   0.015640   0.035934  -0.019397
-    1SOL     O4    4  -0.029598  -0.082186   0.090082
-    1SOL     H5    5   0.016118  -0.162521   0.114955
-    1SOL     H6    6  -0.120650  -0.097610   0.115262
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088654   0.075579   0.070665
-    0SOL     H2    2   0.033254   0.019448   0.016421
-    0SOL     H3    3   0.166285   0.022537   0.088616
-    1SOL     O4    4  -0.089098  -0.067398  -0.061519
-    1SOL     H5    5  -0.062927  -0.148041  -0.105949
-    1SOL     H6    6  -0.124853  -0.012199  -0.131067
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012168  -0.075598  -0.108234
-    0SOL     H2    2   0.073186  -0.118003  -0.099360
-    0SOL     H3    3   0.000183  -0.011149  -0.177921
-    1SOL     O4    4   0.011198   0.072716   0.117020
-    1SOL     H5    5  -0.056596   0.140290   0.116977
-    1SOL     H6    6  -0.002659   0.024767   0.035343
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023901   0.052776  -0.115744
-    0SOL     H2    2   0.008938  -0.002355  -0.192548
-    0SOL     H3    3   0.103218   0.102096  -0.136690
-    1SOL     O4    4  -0.033215  -0.053660   0.124580
-    1SOL     H5    5   0.051223  -0.049005   0.169424
-    1SOL     H6    6  -0.013044  -0.033264   0.033259
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101046   0.080753  -0.028236
-    0SOL     H2    2   0.126764   0.053812  -0.116413
-    0SOL     H3    3   0.072879   0.171692  -0.038185
-    1SOL     O4    4  -0.107376  -0.081618   0.033963
-    1SOL     H5    5  -0.078145  -0.171873   0.046687
-    1SOL     H6    6  -0.026859  -0.032307   0.018226
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042985   0.058003  -0.123476
-    0SOL     H2    2  -0.025205   0.135222  -0.069780
-    0SOL     H3    3  -0.032854  -0.015840  -0.063419
-    1SOL     O4    4   0.035236  -0.058046   0.115805
-    1SOL     H5    5   0.091881   0.016701   0.134953
-    1SOL     H6    6   0.094746  -0.132927   0.112095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042864   0.096867   0.089363
-    0SOL     H2    2   0.000467   0.012207   0.075307
-    0SOL     H3    3  -0.009111   0.138627   0.158043
-    1SOL     O4    4  -0.036792  -0.094943  -0.085555
-    1SOL     H5    5   0.022864  -0.121692  -0.155469
-    1SOL     H6    6  -0.110326  -0.053968  -0.131119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077236   0.004484   0.105156
-    0SOL     H2    2   0.068161  -0.027169   0.195034
-    0SOL     H3    3   0.171750   0.008420   0.090527
-    1SOL     O4    4  -0.085332  -0.008004  -0.112371
-    1SOL     H5    5  -0.018520  -0.008639  -0.043829
-    1SOL     H6    6  -0.097879   0.084665  -0.132798
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.049152  -0.116611  -0.050804
-    0SOL     H2    2   0.056110  -0.105526  -0.145625
-    0SOL     H3    3   0.130511  -0.079828  -0.016307
-    1SOL     O4    4  -0.060500   0.116884   0.054299
-    1SOL     H5    5  -0.031898   0.044445  -0.001349
-    1SOL     H6    6   0.017800   0.141791   0.103402
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112872   0.028053   0.064653
-    0SOL     H2    2  -0.133081  -0.006933  -0.022122
-    0SOL     H3    3  -0.197162   0.058082   0.098649
-    1SOL     O4    4   0.122205  -0.033080  -0.063603
-    1SOL     H5    5   0.133395   0.054665  -0.100180
-    1SOL     H6    6   0.062076  -0.020960   0.009881
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108039  -0.071365   0.052089
-    0SOL     H2    2  -0.056166  -0.028585  -0.016038
-    0SOL     H3    3  -0.131218  -0.156404   0.014760
-    1SOL     O4    4   0.103324   0.073876  -0.039560
-    1SOL     H5    5   0.102175   0.142874  -0.105895
-    1SOL     H6    6   0.156612   0.004359  -0.078162
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052683   0.103804  -0.082872
-    0SOL     H2    2   0.019014   0.169224  -0.021643
-    0SOL     H3    3   0.019707   0.020405  -0.049413
-    1SOL     O4    4  -0.051488  -0.096492   0.079473
-    1SOL     H5    5   0.018047  -0.145362   0.123505
-    1SOL     H6    6  -0.079981  -0.154008   0.008463
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110970   0.046332   0.059173
-    0SOL     H2    2   0.162920   0.050553  -0.021112
-    0SOL     H3    3   0.121514   0.132664   0.099147
-    1SOL     O4    4  -0.117022  -0.057185  -0.053431
-    1SOL     H5    5  -0.033818  -0.011632  -0.040610
-    1SOL     H6    6  -0.160238  -0.008859  -0.123853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032116  -0.102906  -0.090544
-    0SOL     H2    2   0.051169  -0.082412  -0.182083
-    0SOL     H3    3   0.006363  -0.019134  -0.052055
-    1SOL     O4    4  -0.025981   0.094748   0.089252
-    1SOL     H5    5  -0.105765   0.141222   0.064016
-    1SOL     H6    6  -0.036408   0.078308   0.182971
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082878   0.094144  -0.066768
-    0SOL     H2    2  -0.163680   0.046844  -0.086670
-    0SOL     H3    3  -0.026012   0.028579  -0.026397
-    1SOL     O4    4   0.081699  -0.083703   0.061635
-    1SOL     H5    5   0.128054  -0.165529   0.043804
-    1SOL     H6    6   0.085340  -0.074309   0.156824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116221  -0.071497   0.036504
-    0SOL     H2    2  -0.058386  -0.004770  -0.000439
-    0SOL     H3    3  -0.189327  -0.022048   0.073553
-    1SOL     O4    4   0.115436   0.059209  -0.040078
-    1SOL     H5    5   0.167860   0.065880   0.039731
-    1SOL     H6    6   0.090055   0.149387  -0.059727
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062359  -0.046481   0.117096
-    0SOL     H2    2  -0.030735  -0.044608   0.026770
-    0SOL     H3    3  -0.096321  -0.135206   0.128797
-    1SOL     O4    4   0.057461   0.047127  -0.112339
-    1SOL     H5    5   0.059441   0.135013  -0.150214
-    1SOL     H6    6   0.146683   0.032531  -0.080895
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011575  -0.115654   0.081728
-    0SOL     H2    2  -0.015390  -0.066092   0.004405
-    0SOL     H3    3  -0.070541  -0.140019   0.124455
-    1SOL     O4    4  -0.001316   0.109468  -0.076297
-    1SOL     H5    5  -0.041588   0.190304  -0.044579
-    1SOL     H6    6  -0.023936   0.106254  -0.169251
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044974  -0.084034  -0.105823
-    0SOL     H2    2   0.010676  -0.093504  -0.183126
-    0SOL     H3    3  -0.007602  -0.009828  -0.058293
-    1SOL     O4    4   0.035075   0.077405   0.103667
-    1SOL     H5    5   0.037715   0.166802   0.137777
-    1SOL     H6    6   0.114148   0.036125   0.138391
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063890   0.041489   0.111331
-    0SOL     H2    2  -0.153576   0.043355   0.144726
-    0SOL     H3    3  -0.037743   0.133494   0.107622
-    1SOL     O4    4   0.074048  -0.049315  -0.111651
-    1SOL     H5    5   0.025548  -0.057383  -0.193779
-    1SOL     H6    6   0.013853  -0.004045  -0.052579
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023306  -0.128831  -0.058221
-    0SOL     H2    2   0.049711  -0.040313  -0.033127
-    0SOL     H3    3  -0.003355  -0.120865  -0.149808
-    1SOL     O4    4  -0.022085   0.118562   0.057980
-    1SOL     H5    5   0.017848   0.205009   0.048259
-    1SOL     H6    6  -0.079087   0.126916   0.134421
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122825   0.058186   0.018261
-    0SOL     H2    2  -0.187557   0.049130  -0.051668
-    0SOL     H3    3  -0.088030   0.146699   0.007439
-    1SOL     O4    4   0.130045  -0.063437  -0.009515
-    1SOL     H5    5   0.123380  -0.085305  -0.102465
-    1SOL     H6    6   0.043220  -0.030479   0.013671
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110460   0.089621   0.020669
-    0SOL     H2    2   0.055476   0.017477  -0.009898
-    0SOL     H3    3   0.178352   0.047413   0.073314
-    1SOL     O4    4  -0.105934  -0.084867  -0.017610
-    1SOL     H5    5  -0.185814  -0.037679   0.005941
-    1SOL     H6    6  -0.111607  -0.095772  -0.112538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016285   0.098899  -0.089164
-    0SOL     H2    2  -0.012673   0.187695  -0.068210
-    0SOL     H3    3   0.053596   0.105933  -0.177032
-    1SOL     O4    4  -0.011509  -0.107564   0.095350
-    1SOL     H5    5  -0.102933  -0.135905   0.096266
-    1SOL     H6    6  -0.013457  -0.021588   0.053317
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036090   0.077392   0.104050
-    0SOL     H2    2   0.031249   0.048728   0.195249
-    0SOL     H3    3   0.116208   0.129571   0.099514
-    1SOL     O4    4  -0.043781  -0.076419  -0.114491
-    1SOL     H5    5  -0.022124  -0.167553  -0.094796
-    1SOL     H6    6  -0.009616  -0.026991  -0.039980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011860   0.110890  -0.095369
-    0SOL     H2    2  -0.088376   0.066751  -0.132238
-    0SOL     H3    3   0.028248   0.045542  -0.038068
-    1SOL     O4    4   0.018971  -0.105105   0.089050
-    1SOL     H5    5  -0.063858  -0.152999   0.091853
-    1SOL     H6    6   0.019577  -0.053471   0.169647
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058186   0.122895   0.006238
-    0SOL     H2    2  -0.065913   0.163318   0.092659
-    0SOL     H3    3  -0.048651   0.196671  -0.053999
-    1SOL     O4    4   0.055576  -0.133935  -0.003745
-    1SOL     H5    5   0.017963  -0.049749  -0.029439
-    1SOL     H6    6   0.140962  -0.136258  -0.046944
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033876   0.106472  -0.083055
-    0SOL     H2    2  -0.064226   0.062316  -0.162373
-    0SOL     H3    3  -0.113842   0.138534  -0.041344
-    1SOL     O4    4   0.037846  -0.111816   0.086398
-    1SOL     H5    5  -0.005450  -0.035211   0.048721
-    1SOL     H6    6   0.127230  -0.082543   0.104173
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047378  -0.136343  -0.020735
-    0SOL     H2    2   0.024077  -0.046296   0.001871
-    0SOL     H3    3   0.100257  -0.128243  -0.100111
-    1SOL     O4    4  -0.045679   0.125324   0.021034
-    1SOL     H5    5  -0.057746   0.212911  -0.015644
-    1SOL     H6    6  -0.088791   0.128913   0.106420
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052774  -0.123102  -0.027799
-    0SOL     H2    2   0.008370  -0.191736  -0.077597
-    0SOL     H3    3   0.107277  -0.170478   0.035028
-    1SOL     O4    4  -0.056554   0.130466   0.033260
-    1SOL     H5    5  -0.070718   0.170088  -0.052716
-    1SOL     H6    6   0.008567   0.062054   0.017722
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124755   0.023601  -0.073247
-    0SOL     H2    2   0.088609   0.037963  -0.160709
-    0SOL     H3    3   0.049990  -0.005041  -0.020787
-    1SOL     O4    4  -0.113746  -0.026238   0.071680
-    1SOL     H5    5  -0.200848  -0.054614   0.099435
-    1SOL     H6    6  -0.106362   0.063587   0.103919
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124974   0.041338   0.039464
-    0SOL     H2    2  -0.149978   0.062874  -0.050388
-    0SOL     H3    3  -0.204467   0.056123   0.090694
-    1SOL     O4    4   0.137068  -0.044822  -0.036037
-    1SOL     H5    5   0.090241  -0.068076  -0.116216
-    1SOL     H6    6   0.073115   0.004022   0.015797
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113721  -0.078012  -0.001362
-    0SOL     H2    2  -0.145341  -0.168269  -0.005403
-    0SOL     H3    3  -0.165804  -0.037416   0.067930
-    1SOL     O4    4   0.121690   0.080483  -0.007893
-    1SOL     H5    5   0.039542   0.036038   0.013051
-    1SOL     H6    6   0.144249   0.128124   0.072005
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111124  -0.085814   0.053644
-    0SOL     H2    2   0.028676  -0.054517   0.016426
-    0SOL     H3    3   0.126656  -0.028771   0.128925
-    1SOL     O4    4  -0.104950   0.074044  -0.056206
-    1SOL     H5    5  -0.197016   0.100201  -0.057650
-    1SOL     H6    6  -0.056647   0.156522  -0.051049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000199   0.074937   0.120816
-    0SOL     H2    2   0.068246   0.116931   0.173432
-    0SOL     H3    3  -0.047764   0.147657   0.081147
-    1SOL     O4    4  -0.006314  -0.086073  -0.122622
-    1SOL     H5    5   0.063302  -0.061009  -0.183348
-    1SOL     H6    6   0.007378  -0.030270  -0.046066
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095865   0.093571  -0.070128
-    0SOL     H2    2  -0.165379   0.030351  -0.088385
-    0SOL     H3    3  -0.022525   0.040355  -0.039277
-    1SOL     O4    4   0.088959  -0.088448   0.066917
-    1SOL     H5    5   0.117231  -0.077088   0.157658
-    1SOL     H6    6   0.166249  -0.066716   0.014799
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013721   0.107455  -0.104944
-    0SOL     H2    2  -0.033330   0.052557  -0.180865
-    0SOL     H3    3   0.002620   0.045327  -0.033984
-    1SOL     O4    4   0.013922  -0.096079   0.101218
-    1SOL     H5    5  -0.059018  -0.156926   0.113039
-    1SOL     H6    6   0.082858  -0.129854   0.158396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042923  -0.122319   0.061197
-    0SOL     H2    2   0.091574  -0.102166   0.141130
-    0SOL     H3    3   0.031742  -0.217363   0.063226
-    1SOL     O4    4  -0.041762   0.132524  -0.068241
-    1SOL     H5    5  -0.136141   0.120054  -0.058277
-    1SOL     H6    6  -0.003471   0.049439  -0.040083
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111808  -0.045528  -0.090882
-    0SOL     H2    2  -0.077822   0.013976  -0.157714
-    0SOL     H3    3  -0.160874   0.010950  -0.031175
-    1SOL     O4    4   0.113901   0.045191   0.095238
-    1SOL     H5    5   0.167925  -0.031781   0.077377
-    1SOL     H6    6   0.034018   0.030736   0.044522
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063224  -0.114780   0.082480
-    0SOL     H2    2  -0.011550  -0.127214   0.140932
-    0SOL     H3    3   0.047185  -0.030187   0.040658
-    1SOL     O4    4  -0.052469   0.105651  -0.083012
-    1SOL     H5    5  -0.046850   0.200627  -0.072513
-    1SOL     H6    6  -0.144881   0.088983  -0.101571
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031666  -0.050268   0.131614
-    0SOL     H2    2   0.114145  -0.021935   0.171071
-    0SOL     H3    3  -0.014034  -0.096319   0.201993
-    1SOL     O4    4  -0.033555   0.049552  -0.144361
-    1SOL     H5    5  -0.022469  -0.010479  -0.070633
-    1SOL     H6    6  -0.048573   0.134920  -0.103751
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056888  -0.128348   0.039989
-    0SOL     H2    2   0.106140  -0.210179   0.033655
-    0SOL     H3    3   0.071162  -0.098641   0.129857
-    1SOL     O4    4  -0.057790   0.135135  -0.049435
-    1SOL     H5    5  -0.143124   0.141597  -0.006555
-    1SOL     H6    6  -0.015720   0.059833  -0.007937
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054036   0.130796   0.041413
-    0SOL     H2    2  -0.047981   0.221127   0.072493
-    0SOL     H3    3  -0.080352   0.080591   0.118544
-    1SOL     O4    4   0.050261  -0.137090  -0.050298
-    1SOL     H5    5   0.040017  -0.052222  -0.007232
-    1SOL     H6    6   0.144743  -0.152424  -0.050946
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085891  -0.041813   0.113722
-    0SOL     H2    2   0.100696   0.032239   0.172540
-    0SOL     H3    3   0.032054  -0.102460   0.164573
-    1SOL     O4    4  -0.088577   0.036385  -0.121155
-    1SOL     H5    5  -0.008751   0.028674  -0.068899
-    1SOL     H6    6  -0.083625   0.123828  -0.159775
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029477   0.153516  -0.015879
-    0SOL     H2    2  -0.068304   0.178691   0.067913
-    0SOL     H3    3  -0.003397   0.062216  -0.003779
-    1SOL     O4    4   0.035461  -0.149662   0.007490
-    1SOL     H5    5  -0.054812  -0.154768  -0.023926
-    1SOL     H6    6   0.027771  -0.150803   0.102894
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124682  -0.066640  -0.079509
-    0SOL     H2    2   0.115554   0.009903  -0.022761
-    0SOL     H3    3   0.034792  -0.094961  -0.096246
-    1SOL     O4    4  -0.116049   0.069247   0.073255
-    1SOL     H5    5  -0.209902   0.058782   0.088892
-    1SOL     H6    6  -0.075209  -0.000116   0.125054
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069111   0.023208   0.145144
-    0SOL     H2    2  -0.003716  -0.035220   0.124055
-    0SOL     H3    3   0.140590  -0.006189   0.088674
-    1SOL     O4    4  -0.064133  -0.012773  -0.141628
-    1SOL     H5    5  -0.090339  -0.083874  -0.200110
-    1SOL     H6    6  -0.117224  -0.025558  -0.063014
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080730  -0.018603  -0.133842
-    0SOL     H2    2   0.157449   0.025293  -0.170580
-    0SOL     H3    3   0.014953   0.050503  -0.126103
-    1SOL     O4    4  -0.079414   0.017595   0.140044
-    1SOL     H5    5  -0.091730   0.025506   0.045450
-    1SOL     H6    6  -0.101549  -0.073455   0.159596
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123783   0.102112  -0.019039
-    0SOL     H2    2  -0.205271   0.059612  -0.045793
-    0SOL     H3    3  -0.062337   0.029943  -0.005689
-    1SOL     O4    4   0.125786  -0.095224   0.026353
-    1SOL     H5    5   0.182677  -0.066403  -0.045026
-    1SOL     H6    6   0.053139  -0.139693  -0.017321
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.160035  -0.004643   0.026499
-    0SOL     H2    2   0.168267  -0.014519   0.121352
-    0SOL     H3    3   0.080435  -0.052886   0.004166
-    1SOL     O4    4  -0.156292   0.013912  -0.026872
-    1SOL     H5    5  -0.190984  -0.003256  -0.114416
-    1SOL     H6    6  -0.119798  -0.069956   0.001353
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027372   0.112722  -0.115608
-    0SOL     H2    2   0.027615   0.046290  -0.074069
-    0SOL     H3    3  -0.095829   0.062791  -0.160139
-    1SOL     O4    4   0.031549  -0.102095   0.112849
-    1SOL     H5    5  -0.011656  -0.179491   0.076716
-    1SOL     H6    6   0.009527  -0.103604   0.205989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015021   0.135672  -0.090410
-    0SOL     H2    2  -0.007036   0.061634  -0.030269
-    0SOL     H3    3   0.060401   0.191103  -0.070380
-    1SOL     O4    4   0.008641  -0.128497   0.083108
-    1SOL     H5    5  -0.049414  -0.193137   0.123278
-    1SOL     H6    6   0.095401  -0.168790   0.086472
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096597   0.105746   0.056885
-    0SOL     H2    2  -0.128093   0.178462   0.003195
-    0SOL     H3    3  -0.173782   0.076519   0.105367
-    1SOL     O4    4   0.106672  -0.105282  -0.061637
-    1SOL     H5    5   0.023281  -0.078280  -0.023178
-    1SOL     H6    6   0.130948  -0.184246  -0.013287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126673  -0.100244   0.012230
-    0SOL     H2    2  -0.091609  -0.011406   0.005856
-    0SOL     H3    3  -0.203985  -0.091586   0.067999
-    1SOL     O4    4   0.122994   0.092167  -0.018000
-    1SOL     H5    5   0.156143   0.181778  -0.023772
-    1SOL     H6    6   0.184051   0.047734   0.040821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054676   0.002996   0.154618
-    0SOL     H2    2   0.083081   0.089138   0.124040
-    0SOL     H3    3  -0.040740   0.005203   0.147323
-    1SOL     O4    4  -0.048940  -0.004087  -0.147275
-    1SOL     H5    5  -0.051706  -0.099761  -0.148395
-    1SOL     H6    6  -0.080265   0.021842  -0.233928
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066450   0.100139   0.109145
-    0SOL     H2    2   0.111961   0.073257   0.188947
-    0SOL     H3    3  -0.013320   0.142926   0.140264
-    1SOL     O4    4  -0.061555  -0.105912  -0.118592
-    1SOL     H5    5  -0.153835  -0.081761  -0.126558
-    1SOL     H6    6  -0.025692  -0.043260  -0.055736
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056917  -0.157062   0.053404
-    0SOL     H2    2  -0.000615  -0.079849   0.047875
-    0SOL     H3    3  -0.127839  -0.139527  -0.008443
-    1SOL     O4    4   0.051510   0.151138  -0.047084
-    1SOL     H5    5   0.086924   0.124166  -0.131823
-    1SOL     H6    6   0.127438   0.183317   0.001515
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132537  -0.101024  -0.039598
-    0SOL     H2    2  -0.061344  -0.069132  -0.095066
-    0SOL     H3    3  -0.155235  -0.186416  -0.076414
-    1SOL     O4    4   0.129798   0.107875   0.051430
-    1SOL     H5    5   0.121502   0.141598  -0.037768
-    1SOL     H6    6   0.132666   0.012773   0.040962
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101879   0.034253  -0.146946
-    0SOL     H2    2  -0.102599  -0.017693  -0.066550
-    0SOL     H3    3  -0.149660   0.114065  -0.124378
-    1SOL     O4    4   0.100240  -0.031054   0.140480
-    1SOL     H5    5   0.104702  -0.114219   0.093300
-    1SOL     H6    6   0.175820  -0.032686   0.199194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016759  -0.173877  -0.065293
-    0SOL     H2    2  -0.077545  -0.102277  -0.046828
-    0SOL     H3    3   0.069331  -0.132133  -0.068162
-    1SOL     O4    4   0.015407   0.160197   0.063779
-    1SOL     H5    5   0.017901   0.223322  -0.008133
-    1SOL     H6    6   0.012337   0.214027   0.142869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.082853   0.067578  -0.146494
-    0SOL     H2    2   0.053001   0.104714  -0.229513
-    0SOL     H3    3   0.041679   0.122238  -0.079568
-    1SOL     O4    4  -0.077940  -0.069054   0.152917
-    1SOL     H5    5  -0.160101  -0.084378   0.106258
-    1SOL     H6    6  -0.012541  -0.118067   0.103088
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076690  -0.009569  -0.173866
-    0SOL     H2    2   0.008242  -0.053608  -0.224240
-    0SOL     H3    3   0.070731  -0.048128  -0.086458
-    1SOL     O4    4  -0.067164   0.018226   0.169810
-    1SOL     H5    5  -0.086267  -0.019969   0.255475
-    1SOL     H6    6  -0.139555  -0.010377   0.114098
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063616  -0.106636   0.142465
-    0SOL     H2    2   0.079722  -0.106432   0.236820
-    0SOL     H3    3   0.098148  -0.190697   0.112406
-    1SOL     O4    4  -0.071122   0.108316  -0.150053
-    1SOL     H5    5  -0.042522   0.087628  -0.061079
-    1SOL     H6    6  -0.019780   0.185324  -0.174468
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016633  -0.027553  -0.195387
-    0SOL     H2    2  -0.105805  -0.041888  -0.227090
-    0SOL     H3    3   0.035474  -0.094964  -0.239011
-    1SOL     O4    4   0.014422   0.036759   0.201386
-    1SOL     H5    5   0.009827  -0.056432   0.222756
-    1SOL     H6    6   0.090047   0.044337   0.143199
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111576  -0.157556  -0.079712
-    0SOL     H2    2   0.066928  -0.119484  -0.155339
-    0SOL     H3    3   0.201361  -0.124966  -0.085938
-    1SOL     O4    4  -0.112924   0.154326   0.089370
-    1SOL     H5    5  -0.118825   0.073952   0.037721
-    1SOL     H6    6  -0.123698   0.224767   0.025461
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.115066   0.098789   0.151282
-    0SOL     H2    2   0.094088   0.023816   0.095593
-    0SOL     H3    3   0.179911   0.065286   0.213209
-    1SOL     O4    4  -0.118388  -0.086288  -0.153155
-    1SOL     H5    5  -0.071782  -0.125319  -0.079217
-    1SOL     H6    6  -0.151842  -0.161093  -0.202626
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075419   0.195530   0.049114
-    0SOL     H2    2   0.091485   0.102146   0.062666
-    0SOL     H3    3   0.054953   0.229264   0.136324
-    1SOL     O4    4  -0.074686  -0.196563  -0.050507
-    1SOL     H5    5  -0.152441  -0.148161  -0.078324
-    1SOL     H6    6  -0.004227  -0.162518  -0.105632
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060056   0.131401   0.165257
-    0SOL     H2    2  -0.153606   0.116609   0.179109
-    0SOL     H3    3  -0.046994   0.223848   0.186356
-    1SOL     O4    4   0.062156  -0.141682  -0.168562
-    1SOL     H5    5   0.041545  -0.057286  -0.208747
-    1SOL     H6    6   0.127449  -0.121100  -0.101662
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011247   0.187467   0.123240
-    0SOL     H2    2   0.022334   0.237651   0.197510
-    0SOL     H3    3  -0.024682   0.252587   0.054383
-    1SOL     O4    4   0.011091  -0.193165  -0.130038
-    1SOL     H5    5   0.022987  -0.277418  -0.086195
-    1SOL     H6    6  -0.019974  -0.134431  -0.061135
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024859   0.143792   0.179848
-    0SOL     H2    2  -0.032514   0.171711   0.108495
-    0SOL     H3    3   0.006248   0.205073   0.250986
-    1SOL     O4    4  -0.026132  -0.149128  -0.177244
-    1SOL     H5    5   0.025898  -0.224970  -0.203762
-    1SOL     H6    6   0.029032  -0.073720  -0.198048
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014157  -0.235685  -0.052866
-    0SOL     H2    2   0.100487  -0.198190  -0.070289
-    0SOL     H3    3  -0.012798  -0.273731  -0.136461
-    1SOL     O4    4  -0.016070   0.238965   0.064309
-    1SOL     H5    5  -0.012176   0.265022  -0.027714
-    1SOL     H6    6  -0.048570   0.148951   0.062408
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095345   0.211305  -0.064534
-    0SOL     H2    2   0.131720   0.228093  -0.151467
-    0SOL     H3    3   0.062111   0.296281  -0.035606
-    1SOL     O4    4  -0.097014  -0.222424   0.071416
-    1SOL     H5    5  -0.028628  -0.158258   0.090611
-    1SOL     H6    6  -0.138845  -0.189806  -0.008263
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.188460   0.099930  -0.121332
-    0SOL     H2    2  -0.265270   0.098486  -0.178433
-    0SOL     H3    3  -0.142107   0.018621  -0.141398
-    1SOL     O4    4   0.192910  -0.097270   0.120557
-    1SOL     H5    5   0.199033  -0.011114   0.161811
-    1SOL     H6    6   0.135744  -0.147621   0.178514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056215   0.038794  -0.250030
-    0SOL     H2    2  -0.149983   0.028684  -0.233668
-    0SOL     H3    3  -0.020151   0.067362  -0.166092
-    1SOL     O4    4   0.061380  -0.034772   0.250026
-    1SOL     H5    5  -0.008659  -0.025115   0.185499
-    1SOL     H6    6   0.099485  -0.120587   0.231423
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020177  -0.144501   0.203818
-    0SOL     H2    2  -0.013694  -0.229130   0.233026
-    0SOL     H3    3   0.082965  -0.119138   0.271469
-    1SOL     O4    4  -0.018338   0.147830  -0.203198
-    1SOL     H5    5  -0.004501   0.208525  -0.275909
-    1SOL     H6    6  -0.088897   0.090406  -0.232967
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024881   0.184149   0.184495
-    0SOL     H2    2  -0.026053   0.212950   0.108742
-    0SOL     H3    3   0.002238   0.246306   0.253676
-    1SOL     O4    4  -0.017527  -0.194822  -0.186134
-    1SOL     H5    5  -0.019970  -0.109847  -0.230130
-    1SOL     H6    6  -0.071190  -0.182831  -0.107783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035414  -0.169463  -0.200021
-    0SOL     H2    2   0.029015  -0.238049  -0.217552
-    0SOL     H3    3  -0.119969  -0.211181  -0.216526
-    1SOL     O4    4   0.037672   0.182015   0.204029
-    1SOL     H5    5   0.073284   0.101933   0.242513
-    1SOL     H6    6  -0.012893   0.151932   0.128527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.144575   0.200755  -0.207561
-    0SOL     H2    2  -0.063188   0.153441  -0.224877
-    0SOL     H3    3  -0.212613   0.147211  -0.248380
-    1SOL     O4    4   0.143411  -0.196258   0.217115
-    1SOL     H5    5   0.114460  -0.258879   0.150762
-    1SOL     H6    6   0.179903  -0.123332   0.166990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104055  -0.186354   0.262027
-    0SOL     H2    2  -0.034691  -0.233616   0.216014
-    0SOL     H3    3  -0.180064  -0.244307   0.256893
-    1SOL     O4    4   0.105927   0.197953  -0.261099
-    1SOL     H5    5   0.027371   0.149158  -0.285806
-    1SOL     H6    6   0.156838   0.136377  -0.208386
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.098739   0.223841  -0.294716
-    0SOL     H2    2   0.105635   0.194095  -0.385434
-    0SOL     H3    3   0.175862   0.279003  -0.281618
-    1SOL     O4    4  -0.105108  -0.231545   0.299956
-    1SOL     H5    5  -0.067154  -0.169463   0.362146
-    1SOL     H6    6  -0.111685  -0.182467   0.218039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.184362   0.096564  -0.341259
-    0SOL     H2    2  -0.175633   0.001440  -0.347376
-    0SOL     H3    3  -0.113805   0.123403  -0.282406
-    1SOL     O4    4   0.181223  -0.098813   0.335312
-    1SOL     H5    5   0.237680  -0.041460   0.387133
-    1SOL     H6    6   0.098104  -0.051710   0.329406
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100192   0.384520   0.032457
-    0SOL     H2    2  -0.134297   0.372713  -0.056198
-    0SOL     H3    3  -0.014121   0.424486   0.019934
-    1SOL     O4    4   0.096383  -0.379885  -0.026142
-    1SOL     H5    5   0.059049  -0.435811  -0.094266
-    1SOL     H6    6   0.143272  -0.440270   0.031454
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061505  -0.298810   0.273539
-    0SOL     H2    2  -0.134213  -0.343592   0.230291
-    0SOL     H3    3   0.011720  -0.307450   0.212500
-    1SOL     O4    4   0.059632   0.307068  -0.271246
-    1SOL     H5    5   0.092196   0.303719  -0.181298
-    1SOL     H6    6   0.055476   0.215462  -0.298691
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065045   0.426656  -0.091579
-    0SOL     H2    2   0.135824   0.455890  -0.149007
-    0SOL     H3    3   0.004000   0.500349  -0.089302
-    1SOL     O4    4  -0.064672  -0.434760   0.100774
-    1SOL     H5    5  -0.001405  -0.392976   0.042347
-    1SOL     H6    6  -0.147096  -0.432940   0.052140
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149776   0.215216   0.416414
-    0SOL     H2    2   0.112629   0.210282   0.328334
-    0SOL     H3    3   0.093442   0.158824   0.469412
-    1SOL     O4    4  -0.146267  -0.213013  -0.421642
-    1SOL     H5    5  -0.078733  -0.160744  -0.378407
-    1SOL     H6    6  -0.196234  -0.251819  -0.349810
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.354059   0.194588   0.301322
-    0SOL     H2    2  -0.289194   0.196375   0.371690
-    0SOL     H3    3  -0.431282   0.154172   0.340887
-    1SOL     O4    4   0.354020  -0.194120  -0.301196
-    1SOL     H5    5   0.379109  -0.108134  -0.334949
-    1SOL     H6    6   0.342645  -0.248197  -0.379354
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012332  -0.499334  -0.303699
-    0SOL     H2    2   0.023638  -0.594254  -0.308665
-    0SOL     H3    3   0.096377  -0.466810  -0.271435
-    1SOL     O4    4  -0.022377   0.498552   0.302651
-    1SOL     H5    5   0.068035   0.479250   0.327459
-    1SOL     H6    6  -0.019856   0.588915   0.271179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/320K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.908233   0.695259  -0.126735
-    0SOL     H2    2   0.915321   0.783008  -0.089156
-    0SOL     H3    3   0.828346   0.659098  -0.088357
-    1SOL     O4    4  -0.902431  -0.696554   0.128781
-    1SOL     H5    5  -0.841801  -0.709064   0.055776
-    1SOL     H6    6  -0.989160  -0.709698   0.090470
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.043844  -0.107520   0.062896
-    0SOL     H2    2   0.018481  -0.020897   0.031029
-    0SOL     H3    3   0.107619  -0.089917   0.132071
-    1SOL     O4    4  -0.040385   0.097219  -0.065390
-    1SOL     H5    5  -0.044610   0.177033  -0.012719
-    1SOL     H6    6  -0.126391   0.091341  -0.106994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054426   0.102295   0.061961
-    0SOL     H2    2   0.031166   0.013134   0.036047
-    0SOL     H3    3   0.141411   0.094009   0.101041
-    1SOL     O4    4  -0.057741  -0.092671  -0.057601
-    1SOL     H5    5  -0.054867  -0.062721  -0.148470
-    1SOL     H6    6  -0.070215  -0.187364  -0.063926
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007458   0.007848  -0.125150
-    0SOL     H2    2   0.050241  -0.062460  -0.174024
-    0SOL     H3    3   0.071958   0.078552  -0.123399
-    1SOL     O4    4  -0.009564  -0.011254   0.129431
-    1SOL     H5    5  -0.031544   0.018543   0.041163
-    1SOL     H6    6  -0.076117   0.028626   0.185491
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041639   0.115328  -0.014127
-    0SOL     H2    2   0.009029   0.161967  -0.091092
-    0SOL     H3    3   0.101651   0.177063   0.027703
-    1SOL     O4    4  -0.045483  -0.123721   0.021812
-    1SOL     H5    5  -0.030894  -0.167835  -0.061875
-    1SOL     H6    6  -0.019004  -0.033087   0.006101
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026691  -0.033635   0.117029
-    0SOL     H2    2  -0.095713  -0.082338   0.162044
-    0SOL     H3    3   0.054793  -0.072137   0.149283
-    1SOL     O4    4   0.026668   0.035950  -0.127985
-    1SOL     H5    5   0.023825  -0.007248  -0.042614
-    1SOL     H6    6   0.019974   0.129296  -0.107883
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040106   0.104866  -0.074637
-    0SOL     H2    2   0.134544   0.119534  -0.079986
-    0SOL     H3    3   0.029830   0.039718  -0.005265
-    1SOL     O4    4  -0.048362  -0.097136   0.074049
-    1SOL     H5    5  -0.075875  -0.140509  -0.006723
-    1SOL     H6    6   0.035669  -0.137594   0.095592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064689  -0.063824   0.090603
-    0SOL     H2    2  -0.018947  -0.119508   0.153605
-    0SOL     H3    3  -0.117464  -0.124571   0.038768
-    1SOL     O4    4   0.062294   0.076810  -0.092815
-    1SOL     H5    5   0.136886   0.035581  -0.136387
-    1SOL     H6    6   0.037249   0.014821  -0.024313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003318  -0.081150   0.100630
-    0SOL     H2    2   0.087306  -0.124533   0.085586
-    0SOL     H3    3  -0.008672  -0.084324   0.195543
-    1SOL     O4    4  -0.011224   0.087650  -0.108228
-    1SOL     H5    5  -0.034319   0.033263  -0.032922
-    1SOL     H6    6   0.082042   0.071142  -0.122053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037055  -0.102224  -0.079733
-    0SOL     H2    2  -0.025081  -0.072835  -0.170039
-    0SOL     H3    3   0.050424  -0.128736  -0.051324
-    1SOL     O4    4   0.036132   0.106701   0.084351
-    1SOL     H5    5  -0.028412   0.078877   0.149329
-    1SOL     H6    6   0.013945   0.056940   0.005650
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056314   0.081857  -0.083894
-    0SOL     H2    2   0.111243   0.032913  -0.145127
-    0SOL     H3    3   0.040203   0.165453  -0.127650
-    1SOL     O4    4  -0.058769  -0.084842   0.096388
-    1SOL     H5    5  -0.003088  -0.024037   0.047760
-    1SOL     H6    6  -0.108176  -0.131364   0.028882
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002763   0.130675  -0.007511
-    0SOL     H2    2   0.062312   0.198823   0.023666
-    0SOL     H3    3   0.006861   0.137039  -0.102931
-    1SOL     O4    4  -0.007054  -0.140130   0.005952
-    1SOL     H5    5   0.021629  -0.048843   0.003433
-    1SOL     H6    6  -0.030862  -0.155290   0.097416
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092391  -0.033141   0.087317
-    0SOL     H2    2   0.167591  -0.060284   0.034682
-    0SOL     H3    3   0.103466  -0.079160   0.170515
-    1SOL     O4    4  -0.095130   0.040483  -0.093749
-    1SOL     H5    5  -0.177471  -0.006501  -0.080524
-    1SOL     H6    6  -0.043952   0.021841  -0.015037
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028876  -0.010718   0.137526
-    0SOL     H2    2   0.019739   0.078242   0.171658
-    0SOL     H3    3   0.021329  -0.000898   0.042611
-    1SOL     O4    4  -0.027568   0.010279  -0.130540
-    1SOL     H5    5   0.035993  -0.012462  -0.198401
-    1SOL     H6    6  -0.092327  -0.060135  -0.133748
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098136  -0.104339   0.009312
-    0SOL     H2    2  -0.022699  -0.046740  -0.003096
-    0SOL     H3    3  -0.171726  -0.044789   0.023473
-    1SOL     O4    4   0.097668   0.090712  -0.011936
-    1SOL     H5    5   0.099711   0.119218   0.079418
-    1SOL     H6    6   0.109344   0.171176  -0.062450
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023798   0.116451  -0.061869
-    0SOL     H2    2   0.112363   0.143491  -0.086106
-    0SOL     H3    3  -0.005032   0.182444   0.001187
-    1SOL     O4    4  -0.023107  -0.127633   0.058960
-    1SOL     H5    5  -0.018217  -0.044307   0.012107
-    1SOL     H6    6  -0.098304  -0.117936   0.117387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021198   0.105782  -0.094962
-    0SOL     H2    2  -0.069376   0.103182  -0.125815
-    0SOL     H3    3   0.019750   0.057702  -0.012206
-    1SOL     O4    4  -0.012518  -0.097218   0.090728
-    1SOL     H5    5  -0.107294  -0.110590   0.091759
-    1SOL     H6    6   0.024009  -0.182496   0.114304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026059   0.129146  -0.027797
-    0SOL     H2    2   0.067719   0.139528  -0.113348
-    0SOL     H3    3  -0.034561   0.202956  -0.021509
-    1SOL     O4    4  -0.028606  -0.135116   0.038047
-    1SOL     H5    5   0.009130  -0.200370  -0.020948
-    1SOL     H6    6  -0.000977  -0.051015   0.001633
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022619  -0.014677  -0.133903
-    0SOL     H2    2  -0.069974  -0.097619  -0.127535
-    0SOL     H3    3   0.041576  -0.028972  -0.203451
-    1SOL     O4    4   0.026704   0.015714   0.136030
-    1SOL     H5    5  -0.042648   0.046487   0.077672
-    1SOL     H6    6   0.011208   0.062142   0.218290
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033451   0.122283  -0.075305
-    0SOL     H2    2  -0.035431   0.040400  -0.124840
-    0SOL     H3    3   0.028215   0.105708  -0.003997
-    1SOL     O4    4   0.026552  -0.112119   0.069658
-    1SOL     H5    5  -0.009539  -0.167916   0.138552
-    1SOL     H6    6   0.121308  -0.123838   0.076463
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062458  -0.099926   0.083339
-    0SOL     H2    2  -0.103421  -0.063422   0.161772
-    0SOL     H3    3  -0.011982  -0.027350   0.046635
-    1SOL     O4    4   0.059431   0.097141  -0.079941
-    1SOL     H5    5   0.017190   0.084009  -0.164827
-    1SOL     H6    6   0.144795   0.054753  -0.088800
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054029  -0.084899   0.093116
-    0SOL     H2    2   0.123067  -0.046911   0.147457
-    0SOL     H3    3   0.001880  -0.137422   0.153813
-    1SOL     O4    4  -0.059038   0.090872  -0.099708
-    1SOL     H5    5  -0.045161   0.030391  -0.026826
-    1SOL     H6    6  -0.002549   0.057709  -0.169504
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088639   0.004894  -0.111917
-    0SOL     H2    2  -0.048280   0.086279  -0.142080
-    0SOL     H3    3  -0.150168   0.032375  -0.043936
-    1SOL     O4    4   0.091512  -0.017772   0.113250
-    1SOL     H5    5   0.065614  -0.008039   0.021616
-    1SOL     H6    6   0.095725   0.071834   0.146647
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073362  -0.003642   0.119852
-    0SOL     H2    2   0.152903  -0.049447   0.092696
-    0SOL     H3    3   0.032976  -0.061807   0.184258
-    1SOL     O4    4  -0.078209   0.004695  -0.125737
-    1SOL     H5    5  -0.024971  -0.007487  -0.047126
-    1SOL     H6    6  -0.085329   0.099657  -0.135421
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047317   0.112479   0.074348
-    0SOL     H2    2   0.047356   0.061187   0.155166
-    0SOL     H3    3  -0.031133   0.166972   0.080547
-    1SOL     O4    4  -0.048561  -0.114604  -0.082994
-    1SOL     H5    5   0.035353  -0.160564  -0.080096
-    1SOL     H6    6  -0.035485  -0.037287  -0.028100
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121414  -0.049243  -0.051948
-    0SOL     H2    2   0.189829   0.004132  -0.011540
-    0SOL     H3    3   0.125574  -0.027171  -0.144996
-    1SOL     O4    4  -0.131406   0.045284   0.051960
-    1SOL     H5    5  -0.117369   0.053866   0.146256
-    1SOL     H6    6  -0.043948   0.030666   0.015910
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.087750   0.099425   0.071617
-    0SOL     H2    2   0.139021   0.059052   0.001590
-    0SOL     H3    3  -0.000192   0.063170   0.060935
-    1SOL     O4    4  -0.091250  -0.092663  -0.063731
-    1SOL     H5    5  -0.025205  -0.153391  -0.030375
-    1SOL     H6    6  -0.062382  -0.072305  -0.152694
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066588  -0.029493  -0.117893
-    0SOL     H2    2  -0.016500  -0.044587  -0.198053
-    0SOL     H3    3  -0.143559  -0.085701  -0.126747
-    1SOL     O4    4   0.075537   0.032858   0.125373
-    1SOL     H5    5   0.027363   0.005621   0.047273
-    1SOL     H6    6   0.010892   0.079441   0.178415
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.133188   0.027339   0.069759
-    0SOL     H2    2  -0.107506  -0.026896  -0.004815
-    0SOL     H3    3  -0.050725   0.048747   0.113393
-    1SOL     O4    4   0.129275  -0.022682  -0.062602
-    1SOL     H5    5   0.100115   0.023168  -0.141404
-    1SOL     H6    6   0.112735  -0.115125  -0.081118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026856   0.034286   0.135012
-    0SOL     H2    2  -0.039985   0.057766   0.199380
-    0SOL     H3    3   0.067843  -0.044537   0.170639
-    1SOL     O4    4  -0.026438  -0.027895  -0.146225
-    1SOL     H5    5  -0.011927  -0.122212  -0.138738
-    1SOL     H6    6  -0.024099   0.003983  -0.055999
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058546   0.020102  -0.127050
-    0SOL     H2    2  -0.076943   0.088724  -0.191197
-    0SOL     H3    3   0.008647  -0.034060  -0.168451
-    1SOL     O4    4   0.058538  -0.017892   0.138893
-    1SOL     H5    5   0.032403  -0.109678   0.131503
-    1SOL     H6    6   0.032618   0.021232   0.055468
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008056   0.052507   0.140040
-    0SOL     H2    2  -0.008899   0.020707   0.051363
-    0SOL     H3    3  -0.077460   0.081326   0.171961
-    1SOL     O4    4   0.001851  -0.048185  -0.132275
-    1SOL     H5    5   0.034474  -0.130485  -0.168675
-    1SOL     H6    6  -0.086083  -0.038915  -0.168937
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006987  -0.104575  -0.094161
-    0SOL     H2    2  -0.016708  -0.189778  -0.057537
-    0SOL     H3    3  -0.022004  -0.108722  -0.185290
-    1SOL     O4    4  -0.008924   0.107908   0.101783
-    1SOL     H5    5   0.040334   0.189978   0.102474
-    1SOL     H6    6   0.027856   0.058459   0.028541
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036724   0.117888  -0.092781
-    0SOL     H2    2   0.042784   0.070432  -0.009874
-    0SOL     H3    3   0.029384   0.049343  -0.159188
-    1SOL     O4    4  -0.030509  -0.109952   0.092595
-    1SOL     H5    5  -0.077369  -0.168533   0.033142
-    1SOL     H6    6  -0.099559  -0.063494   0.139882
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023209  -0.139562  -0.049874
-    0SOL     H2    2   0.035648  -0.046220  -0.067044
-    0SOL     H3    3  -0.004429  -0.175960  -0.133979
-    1SOL     O4    4  -0.017330   0.133144   0.052430
-    1SOL     H5    5  -0.022180   0.224710   0.079899
-    1SOL     H6    6  -0.100971   0.095439   0.079722
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067685   0.125514  -0.015461
-    0SOL     H2    2   0.128801   0.190340  -0.050458
-    0SOL     H3    3   0.018291   0.172805   0.051518
-    1SOL     O4    4  -0.070713  -0.136489   0.009566
-    1SOL     H5    5  -0.020998  -0.057722  -0.012489
-    1SOL     H6    6  -0.077928  -0.134379   0.104991
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060193  -0.026810   0.139549
-    0SOL     H2    2  -0.127637  -0.087009   0.108090
-    0SOL     H3    3  -0.006341  -0.008722   0.062509
-    1SOL     O4    4   0.056789   0.024505  -0.136556
-    1SOL     H5    5   0.151384   0.018506  -0.123212
-    1SOL     H6    6   0.031759   0.106679  -0.094329
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047271   0.082264   0.116246
-    0SOL     H2    2   0.133594   0.103516   0.080763
-    0SOL     H3    3  -0.013248   0.137645   0.066924
-    1SOL     O4    4  -0.052114  -0.092484  -0.112182
-    1SOL     H5    5  -0.052333  -0.017235  -0.171340
-    1SOL     H6    6   0.001087  -0.064341  -0.037750
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035042   0.039811   0.138074
-    0SOL     H2    2  -0.045829  -0.053472   0.156629
-    0SOL     H3    3  -0.123608   0.075732   0.143371
-    1SOL     O4    4   0.044156  -0.041979  -0.141162
-    1SOL     H5    5   0.052265   0.010860  -0.061760
-    1SOL     H6    6  -0.027964  -0.001707  -0.189527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009278  -0.067991  -0.128340
-    0SOL     H2    2   0.021191  -0.104391  -0.211460
-    0SOL     H3    3  -0.064907   0.005765  -0.153394
-    1SOL     O4    4   0.010676   0.072104   0.136785
-    1SOL     H5    5  -0.003722  -0.008979   0.185576
-    1SOL     H6    6   0.026172   0.043511   0.046759
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015832  -0.133438  -0.056135
-    0SOL     H2    2   0.073672  -0.175277  -0.119904
-    0SOL     H3    3  -0.068568  -0.176979  -0.068097
-    1SOL     O4    4  -0.019097   0.141199   0.056854
-    1SOL     H5    5   0.016774   0.158779   0.143840
-    1SOL     H6    6   0.029018   0.064365   0.026132
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033674   0.118673   0.095475
-    0SOL     H2    2   0.007024   0.044076   0.051416
-    0SOL     H3    3  -0.028667   0.097187   0.188618
-    1SOL     O4    4   0.031563  -0.117658  -0.093394
-    1SOL     H5    5  -0.045865  -0.104195  -0.148037
-    1SOL     H6    6   0.092995  -0.049938  -0.121718
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041712  -0.136019  -0.040974
-    0SOL     H2    2  -0.023750  -0.186456   0.007328
-    0SOL     H3    3   0.069990  -0.194502  -0.111277
-    1SOL     O4    4  -0.039793   0.146533   0.048182
-    1SOL     H5    5   0.024143   0.078637   0.026627
-    1SOL     H6    6  -0.101221   0.145824  -0.025224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003602   0.063751  -0.133730
-    0SOL     H2    2  -0.033799   0.130596  -0.195229
-    0SOL     H3    3   0.080037   0.034131  -0.169639
-    1SOL     O4    4  -0.004688  -0.067894   0.143247
-    1SOL     H5    5   0.089313  -0.070596   0.161098
-    1SOL     H6    6  -0.011315  -0.031492   0.054967
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.143110  -0.061031  -0.044548
-    0SOL     H2    2   0.071413  -0.011803  -0.004567
-    0SOL     H3    3   0.100390  -0.135415  -0.087026
-    1SOL     O4    4  -0.135794   0.069295   0.044672
-    1SOL     H5    5  -0.125420   0.009277   0.118513
-    1SOL     H6    6  -0.168791   0.014375  -0.026442
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.130275  -0.054629   0.083473
-    0SOL     H2    2   0.073550  -0.011559   0.019523
-    0SOL     H3    3   0.120618  -0.002423   0.163120
-    1SOL     O4    4  -0.120229   0.046922  -0.084217
-    1SOL     H5    5  -0.197243  -0.002552  -0.056228
-    1SOL     H6    6  -0.154881   0.131898  -0.111432
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001533   0.060357  -0.152519
-    0SOL     H2    2  -0.020683   0.012423  -0.072700
-    0SOL     H3    3  -0.037474   0.008808  -0.223112
-    1SOL     O4    4  -0.002863  -0.058273   0.147761
-    1SOL     H5    5  -0.020565   0.006415   0.216058
-    1SOL     H6    6   0.092137  -0.069830   0.149696
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017805   0.124024   0.101572
-    0SOL     H2    2  -0.034523   0.175232   0.180696
-    0SOL     H3    3  -0.046192   0.035381   0.123911
-    1SOL     O4    4   0.022191  -0.125201  -0.101634
-    1SOL     H5    5  -0.065421  -0.101141  -0.131761
-    1SOL     H6    6   0.080829  -0.092704  -0.169955
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003664   0.133024  -0.098322
-    0SOL     H2    2   0.020671   0.135417  -0.190866
-    0SOL     H3    3  -0.001910   0.040095  -0.075442
-    1SOL     O4    4   0.005062  -0.120991   0.103142
-    1SOL     H5    5   0.045165  -0.204408   0.127546
-    1SOL     H6    6  -0.080557  -0.144983   0.067699
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059411   0.140302  -0.060371
-    0SOL     H2    2  -0.127763   0.106483  -0.002522
-    0SOL     H3    3  -0.107135   0.180946  -0.132709
-    1SOL     O4    4   0.067123  -0.146973   0.062657
-    1SOL     H5    5  -0.010404  -0.091673   0.052969
-    1SOL     H6    6   0.140866  -0.087610   0.048504
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112968  -0.067645  -0.106195
-    0SOL     H2    2  -0.036607  -0.085715  -0.161010
-    0SOL     H3    3  -0.114106  -0.138964  -0.042362
-    1SOL     O4    4   0.113768   0.068912   0.106221
-    1SOL     H5    5   0.099914   0.159019   0.135397
-    1SOL     H6    6   0.031866   0.044847   0.062917
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060929  -0.083165   0.133454
-    0SOL     H2    2   0.136211  -0.096829   0.190972
-    0SOL     H3    3   0.028587  -0.171325   0.114904
-    1SOL     O4    4  -0.067663   0.093583  -0.133466
-    1SOL     H5    5  -0.061951   0.052988  -0.219963
-    1SOL     H6    6   0.001506   0.051358  -0.082523
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130705  -0.107145   0.040124
-    0SOL     H2    2  -0.042098  -0.105160   0.076278
-    0SOL     H3    3  -0.148657  -0.200051   0.025684
-    1SOL     O4    4   0.126241   0.110910  -0.047962
-    1SOL     H5    5   0.077976   0.177739   0.000686
-    1SOL     H6    6   0.180322   0.067544   0.018045
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023568   0.086925  -0.157743
-    0SOL     H2    2  -0.046675   0.034314  -0.119530
-    0SOL     H3    3   0.086273   0.098697  -0.086386
-    1SOL     O4    4  -0.018297  -0.085382   0.147276
-    1SOL     H5    5  -0.045164  -0.008264   0.197208
-    1SOL     H6    6  -0.078445  -0.154331   0.175396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.144620   0.031128   0.101184
-    0SOL     H2    2  -0.107079  -0.047281   0.141248
-    0SOL     H3    3  -0.073560   0.095240   0.102736
-    1SOL     O4    4   0.139825  -0.031397  -0.109810
-    1SOL     H5    5   0.138951  -0.093137  -0.036668
-    1SOL     H6    6   0.118032   0.052994  -0.070242
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.150397   0.019577   0.087459
-    0SOL     H2    2  -0.239106   0.022524   0.123298
-    0SOL     H3    3  -0.125110   0.111450   0.078399
-    1SOL     O4    4   0.151625  -0.030098  -0.092000
-    1SOL     H5    5   0.242880  -0.001209  -0.092451
-    1SOL     H6    6   0.106311   0.034373  -0.037663
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061567  -0.162490   0.062367
-    0SOL     H2    2  -0.115757  -0.202273  -0.005773
-    0SOL     H3    3  -0.049828  -0.071877   0.033839
-    1SOL     O4    4   0.061505   0.157426  -0.050564
-    1SOL     H5    5   0.059118   0.109334  -0.133292
-    1SOL     H6    6   0.104369   0.240239  -0.072175
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118434  -0.122031  -0.051980
-    0SOL     H2    2   0.202474  -0.077395  -0.041626
-    0SOL     H3    3   0.124134  -0.164357  -0.137644
-    1SOL     O4    4  -0.120050   0.117650   0.052097
-    1SOL     H5    5  -0.189739   0.178605   0.027804
-    1SOL     H6    6  -0.105848   0.133401   0.145438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014340   0.150038  -0.114713
-    0SOL     H2    2   0.055361   0.141920  -0.028611
-    0SOL     H3    3  -0.064292   0.095749  -0.109049
-    1SOL     O4    4  -0.009217  -0.139590   0.109528
-    1SOL     H5    5   0.028858  -0.223279   0.136152
-    1SOL     H6    6  -0.097496  -0.161735   0.079884
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042105  -0.178752   0.010686
-    0SOL     H2    2   0.018137  -0.136288  -0.071683
-    0SOL     H3    3   0.134703  -0.200676   0.000327
-    1SOL     O4    4  -0.047960   0.176111   0.001227
-    1SOL     H5    5   0.040482   0.172034  -0.035156
-    1SOL     H6    6  -0.102875   0.203581  -0.072204
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051480  -0.129458  -0.110379
-    0SOL     H2    2  -0.009610  -0.214744  -0.122020
-    0SOL     H3    3  -0.103471  -0.117206  -0.189809
-    1SOL     O4    4   0.050084   0.131165   0.121374
-    1SOL     H5    5   0.119019   0.097417   0.064178
-    1SOL     H6    6   0.015085   0.206997   0.074611
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108267  -0.063829  -0.140597
-    0SOL     H2    2   0.102212   0.000229  -0.211465
-    0SOL     H3    3   0.105580  -0.011398  -0.060559
-    1SOL     O4    4  -0.105178   0.052464   0.145178
-    1SOL     H5    5  -0.139377   0.027304   0.059389
-    1SOL     H6    6  -0.113488   0.147799   0.147309
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005787  -0.129997  -0.136805
-    0SOL     H2    2   0.059012  -0.063061  -0.114828
-    0SOL     H3    3  -0.024280  -0.115926  -0.229661
-    1SOL     O4    4   0.001715   0.128043   0.146973
-    1SOL     H5    5   0.072737   0.068565   0.122879
-    1SOL     H6    6  -0.045801   0.143034   0.065242
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008430   0.164787  -0.112447
-    0SOL     H2    2  -0.047995   0.092827  -0.084159
-    0SOL     H3    3   0.077830   0.168172  -0.046611
-    1SOL     O4    4  -0.009684  -0.162841   0.100712
-    1SOL     H5    5  -0.063157  -0.095248   0.142355
-    1SOL     H6    6   0.048293  -0.193826   0.170289
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137547  -0.022469   0.143492
-    0SOL     H2    2  -0.166579  -0.051286   0.056953
-    0SOL     H3    3  -0.137321   0.073101   0.138137
-    1SOL     O4    4   0.134147   0.022801  -0.138102
-    1SOL     H5    5   0.127944  -0.069714  -0.114336
-    1SOL     H6    6   0.226946   0.036518  -0.157143
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065293   0.022195  -0.182198
-    0SOL     H2    2  -0.096729   0.016852  -0.272451
-    0SOL     H3    3  -0.012927  -0.057041  -0.170294
-    1SOL     O4    4   0.069114  -0.013103   0.183984
-    1SOL     H5    5  -0.021321  -0.021187   0.153677
-    1SOL     H6    6   0.074225  -0.071066   0.259987
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076301  -0.005479   0.182121
-    0SOL     H2    2   0.015992   0.012931   0.164648
-    0SOL     H3    3  -0.077446  -0.039670   0.271519
-    1SOL     O4    4   0.076489   0.003652  -0.183253
-    1SOL     H5    5  -0.008239   0.028080  -0.146012
-    1SOL     H6    6   0.069598   0.026886  -0.275854
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034627  -0.196354   0.042810
-    0SOL     H2    2  -0.009246  -0.188091   0.134733
-    0SOL     H3    3   0.045153  -0.176061  -0.006033
-    1SOL     O4    4   0.024565   0.194770  -0.040127
-    1SOL     H5    5   0.063179   0.118725  -0.083584
-    1SOL     H6    6   0.064216   0.270111  -0.083874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012675   0.125791  -0.162961
-    0SOL     H2    2   0.008056   0.202908  -0.106445
-    0SOL     H3    3   0.056400   0.059478  -0.109548
-    1SOL     O4    4  -0.012735  -0.120934   0.155050
-    1SOL     H5    5  -0.094143  -0.168522   0.138607
-    1SOL     H6    6   0.035692  -0.176580   0.216047
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091738  -0.045406   0.193842
-    0SOL     H2    2  -0.113025   0.047564   0.185732
-    0SOL     H3    3  -0.010173  -0.055716   0.144820
-    1SOL     O4    4   0.086420   0.034481  -0.192210
-    1SOL     H5    5   0.038152   0.116569  -0.182504
-    1SOL     H6    6   0.177263   0.057626  -0.172868
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054747   0.147666  -0.154519
-    0SOL     H2    2   0.147337   0.163856  -0.136429
-    0SOL     H3    3   0.039992   0.057671  -0.125441
-    1SOL     O4    4  -0.057486  -0.145654   0.158355
-    1SOL     H5    5  -0.138106  -0.104546   0.127163
-    1SOL     H6    6  -0.002008  -0.151741   0.080589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038230  -0.216948   0.066241
-    0SOL     H2    2  -0.027232  -0.283035  -0.002125
-    0SOL     H3    3   0.043420  -0.167015   0.064709
-    1SOL     O4    4   0.033872   0.212357  -0.059114
-    1SOL     H5    5   0.003655   0.295007  -0.021454
-    1SOL     H6    6   0.048526   0.232075  -0.151628
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115622   0.094672   0.176623
-    0SOL     H2    2  -0.142126   0.179944   0.142150
-    0SOL     H3    3  -0.186827   0.035639   0.151982
-    1SOL     O4    4   0.114347  -0.097895  -0.173651
-    1SOL     H5    5   0.189756  -0.149617  -0.201947
-    1SOL     H6    6   0.152290  -0.017208  -0.138835
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062609  -0.012979  -0.252458
-    0SOL     H2    2   0.030259  -0.018778  -0.230004
-    0SOL     H3    3  -0.107904  -0.015904  -0.168184
-    1SOL     O4    4   0.055441   0.012526   0.241567
-    1SOL     H5    5   0.134229   0.066739   0.237606
-    1SOL     H6    6   0.056886  -0.025532   0.329384
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108560  -0.217631  -0.110899
-    0SOL     H2    2  -0.045401  -0.236670  -0.041540
-    0SOL     H3    3  -0.127969  -0.124448  -0.100766
-    1SOL     O4    4   0.103265   0.210187   0.100671
-    1SOL     H5    5   0.191565   0.245538   0.111436
-    1SOL     H6    6   0.062314   0.221369   0.186464
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019142   0.199860  -0.165017
-    0SOL     H2    2  -0.027086   0.251468  -0.245240
-    0SOL     H3    3  -0.048746   0.112271  -0.189797
-    1SOL     O4    4   0.020772  -0.201220   0.177241
-    1SOL     H5    5   0.027014  -0.237893   0.089045
-    1SOL     H6    6   0.022771  -0.106439   0.164017
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075462   0.153844  -0.210074
-    0SOL     H2    2   0.042467   0.068067  -0.183317
-    0SOL     H3    3   0.142724   0.174950  -0.145323
-    1SOL     O4    4  -0.079143  -0.143584   0.204990
-    1SOL     H5    5  -0.017524  -0.187998   0.263237
-    1SOL     H6    6  -0.108785  -0.211882   0.144831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075042   0.239189  -0.084493
-    0SOL     H2    2  -0.107447   0.316413  -0.038138
-    0SOL     H3    3  -0.038112   0.273726  -0.165768
-    1SOL     O4    4   0.068512  -0.246915   0.089146
-    1SOL     H5    5   0.151294  -0.233288   0.135230
-    1SOL     H6    6   0.090299  -0.235152  -0.003316
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012129   0.014482  -0.294460
-    0SOL     H2    2   0.007737   0.028624  -0.201899
-    0SOL     H3    3  -0.099766  -0.024015  -0.294587
-    1SOL     O4    4   0.019256  -0.008292   0.292053
-    1SOL     H5    5   0.032979  -0.038240   0.202181
-    1SOL     H6    6  -0.051495  -0.063573   0.325231
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016810   0.274103   0.087057
-    0SOL     H2    2   0.076203   0.321254   0.145464
-    0SOL     H3    3   0.061098   0.274710   0.002201
-    1SOL     O4    4  -0.023991  -0.273769  -0.080071
-    1SOL     H5    5   0.037897  -0.345254  -0.094971
-    1SOL     H6    6  -0.062704  -0.257232  -0.166038
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011856  -0.144404  -0.259952
-    0SOL     H2    2   0.067618  -0.186406  -0.227056
-    0SOL     H3    3  -0.049528  -0.101029  -0.183390
-    1SOL     O4    4   0.008349   0.145187   0.259711
-    1SOL     H5    5   0.086405   0.157487   0.205691
-    1SOL     H6    6  -0.059842   0.119171   0.197780
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062534  -0.156171   0.250177
-    0SOL     H2    2  -0.143906  -0.180046   0.205783
-    0SOL     H3    3   0.006662  -0.188303   0.192370
-    1SOL     O4    4   0.060983   0.164030  -0.240923
-    1SOL     H5    5   0.131469   0.102673  -0.220200
-    1SOL     H6    6   0.031186   0.137819  -0.328029
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044435  -0.281962   0.066548
-    0SOL     H2    2   0.077562  -0.307647   0.152601
-    0SOL     H3    3   0.015546  -0.363961   0.026499
-    1SOL     O4    4  -0.041730   0.283464  -0.073073
-    1SOL     H5    5  -0.025982   0.296620   0.020422
-    1SOL     H6    6  -0.111883   0.344966  -0.094481
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079346   0.288367   0.108024
-    0SOL     H2    2  -0.043205   0.319523   0.025046
-    0SOL     H3    3  -0.032742   0.206560   0.125290
-    1SOL     O4    4   0.072472  -0.289966  -0.108210
-    1SOL     H5    5   0.081010  -0.293092  -0.012923
-    1SOL     H6    6   0.103721  -0.202745  -0.132256
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040155  -0.237250   0.214269
-    0SOL     H2    2  -0.005186  -0.249750   0.302491
-    0SOL     H3    3  -0.032896  -0.323382   0.173149
-    1SOL     O4    4   0.043523   0.243137  -0.213642
-    1SOL     H5    5   0.002619   0.313623  -0.263849
-    1SOL     H6    6  -0.016854   0.169363  -0.222271
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041631   0.109486   0.314241
-    0SOL     H2    2   0.131260   0.110646   0.347821
-    0SOL     H3    3  -0.008446   0.160716   0.377724
-    1SOL     O4    4  -0.047112  -0.112690  -0.326210
-    1SOL     H5    5  -0.089491  -0.117419  -0.240513
-    1SOL     H6    6   0.046381  -0.107044  -0.306470
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.087612  -0.219731  -0.273670
-    0SOL     H2    2   0.007934  -0.263322  -0.303897
-    0SOL     H3    3   0.065157  -0.126688  -0.272665
-    1SOL     O4    4  -0.077786   0.217964   0.280433
-    1SOL     H5    5  -0.079335   0.267636   0.198624
-    1SOL     H6    6  -0.146504   0.152173   0.269867
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.141296   0.292358  -0.152145
-    0SOL     H2    2  -0.133168   0.346471  -0.073608
-    0SOL     H3    3  -0.235437   0.277916  -0.161700
-    1SOL     O4    4   0.142918  -0.290918   0.143728
-    1SOL     H5    5   0.129901  -0.383748   0.163104
-    1SOL     H6    6   0.215972  -0.264722   0.199757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130266   0.303844  -0.232393
-    0SOL     H2    2  -0.131892   0.348462  -0.147724
-    0SOL     H3    3  -0.182678   0.359588  -0.289907
-    1SOL     O4    4   0.134611  -0.311698   0.236529
-    1SOL     H5    5   0.050375  -0.280366   0.203591
-    1SOL     H6    6   0.193775  -0.304716   0.161607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012886  -0.411722   0.448414
-    0SOL     H2    2  -0.049997  -0.399874   0.519601
-    0SOL     H3    3   0.098135  -0.414253   0.491870
-    1SOL     O4    4  -0.011207   0.407063  -0.459450
-    1SOL     H5    5  -0.034671   0.386775  -0.368895
-    1SOL     H6    6  -0.039082   0.497810  -0.471710
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/330K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.274987   0.531579   0.416573
-    0SOL     H2    2   0.214745   0.483969   0.473727
-    0SOL     H3    3   0.271973   0.483999   0.333570
-    1SOL     O4    4  -0.270243  -0.522733  -0.420815
-    1SOL     H5    5  -0.231583  -0.607155  -0.397561
-    1SOL     H6    6  -0.332424  -0.504586  -0.350342
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025612   0.125597  -0.014492
-    0SOL     H2    2   0.032519   0.105777  -0.087911
-    0SOL     H3    3  -0.015169   0.219686  -0.000335
-    1SOL     O4    4   0.025161  -0.133397   0.021680
-    1SOL     H5    5  -0.030028  -0.159461  -0.052057
-    1SOL     H6    6   0.013096  -0.038677   0.028383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058597  -0.004619   0.124252
-    0SOL     H2    2   0.015090  -0.018818   0.183673
-    0SOL     H3    3  -0.018016   0.010603   0.038907
-    1SOL     O4    4   0.050857   0.009013  -0.117859
-    1SOL     H5    5   0.113560  -0.063091  -0.123491
-    1SOL     H6    6  -0.001246   0.001810  -0.197832
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119972  -0.019135   0.066746
-    0SOL     H2    2  -0.085594   0.017269   0.148325
-    0SOL     H3    3  -0.046967  -0.013109   0.005133
-    1SOL     O4    4   0.110705   0.018512  -0.062359
-    1SOL     H5    5   0.082186   0.035685  -0.152103
-    1SOL     H6    6   0.188589  -0.036293  -0.072000
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098691   0.084190   0.007529
-    0SOL     H2    2  -0.091239   0.177187  -0.013882
-    0SOL     H3    3  -0.115920   0.082544   0.101671
-    1SOL     O4    4   0.100510  -0.096138  -0.013284
-    1SOL     H5    5   0.163310  -0.030669   0.017252
-    1SOL     H6    6   0.016723  -0.049901  -0.015327
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010662   0.120481   0.046593
-    0SOL     H2    2   0.023229   0.178219   0.121897
-    0SOL     H3    3  -0.004034   0.179888  -0.027009
-    1SOL     O4    4  -0.015835  -0.131393  -0.048507
-    1SOL     H5    5   0.076658  -0.155785  -0.052015
-    1SOL     H6    6  -0.015730  -0.041580  -0.015402
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044055  -0.124192   0.010558
-    0SOL     H2    2   0.005146  -0.175239   0.081570
-    0SOL     H3    3   0.025389  -0.174888  -0.068460
-    1SOL     O4    4  -0.039777   0.136494  -0.009957
-    1SOL     H5    5  -0.124092   0.092492  -0.020779
-    1SOL     H6    6   0.022919   0.065353   0.003100
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070287   0.084615  -0.074530
-    0SOL     H2    2   0.056026   0.066465  -0.167426
-    0SOL     H3    3   0.029783   0.170166  -0.060298
-    1SOL     O4    4  -0.070639  -0.088167   0.084677
-    1SOL     H5    5  -0.018499  -0.024113   0.036295
-    1SOL     H6    6  -0.058291  -0.170179   0.036887
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017230   0.129859  -0.009845
-    0SOL     H2    2  -0.032693   0.162534   0.065004
-    0SOL     H3    3   0.073593   0.203057  -0.034897
-    1SOL     O4    4  -0.023328  -0.138105   0.008681
-    1SOL     H5    5   0.004155  -0.046620   0.002572
-    1SOL     H6    6   0.054842  -0.188246  -0.014510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072281  -0.120851  -0.008760
-    0SOL     H2    2   0.015420  -0.048105   0.016482
-    0SOL     H3    3   0.011997  -0.190885  -0.033728
-    1SOL     O4    4  -0.061995   0.121484   0.002536
-    1SOL     H5    5  -0.031674   0.134592   0.092375
-    1SOL     H6    6  -0.153084   0.093562   0.011783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.117107   0.071235   0.031284
-    0SOL     H2    2  -0.143158   0.146087  -0.022389
-    0SOL     H3    3  -0.041334   0.034363  -0.014117
-    1SOL     O4    4   0.110830  -0.068387  -0.023428
-    1SOL     H5    5   0.190688  -0.072000  -0.076076
-    1SOL     H6    6   0.092496  -0.159701  -0.001338
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040028  -0.030372  -0.132698
-    0SOL     H2    2   0.001549  -0.038089  -0.045393
-    0SOL     H3    3   0.120124  -0.082602  -0.128324
-    1SOL     O4    4  -0.036809   0.033054   0.123339
-    1SOL     H5    5  -0.096228   0.108087   0.124661
-    1SOL     H6    6  -0.073876  -0.028037   0.187027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076629  -0.013130  -0.118932
-    0SOL     H2    2   0.126525   0.068230  -0.126237
-    0SOL     H3    3   0.026089  -0.003126  -0.038260
-    1SOL     O4    4  -0.070964   0.008852   0.111093
-    1SOL     H5    5  -0.157302   0.049426   0.103230
-    1SOL     H6    6  -0.080984  -0.055490   0.181249
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066770   0.013572   0.123470
-    0SOL     H2    2   0.113345  -0.063707   0.155424
-    0SOL     H3    3   0.039185  -0.009959   0.034882
-    1SOL     O4    4  -0.063446  -0.009195  -0.114945
-    1SOL     H5    5  -0.044801   0.040561  -0.194564
-    1SOL     H6    6  -0.156713  -0.029896  -0.120872
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085802  -0.085087   0.054775
-    0SOL     H2    2  -0.150278  -0.061948   0.121630
-    0SOL     H3    3  -0.132478  -0.144435  -0.004060
-    1SOL     O4    4   0.094217   0.090245  -0.060443
-    1SOL     H5    5   0.135945   0.088805   0.025690
-    1SOL     H6    6   0.017580   0.033689  -0.050930
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053998   0.076969  -0.105987
-    0SOL     H2    2  -0.026646   0.014809  -0.038531
-    0SOL     H3    3  -0.133776   0.038932  -0.142743
-    1SOL     O4    4   0.059590  -0.072682   0.097698
-    1SOL     H5    5   0.102171  -0.019789   0.165163
-    1SOL     H6    6  -0.023673  -0.099046   0.136869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112773  -0.047404   0.053115
-    0SOL     H2    2   0.185518  -0.078059  -0.001021
-    0SOL     H3    3   0.099688  -0.117086   0.117423
-    1SOL     O4    4  -0.119099   0.050690  -0.059618
-    1SOL     H5    5  -0.039208   0.021220  -0.015899
-    1SOL     H6    6  -0.151178   0.122538  -0.005110
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035439  -0.037733   0.122955
-    0SOL     H2    2  -0.013359   0.009946   0.202965
-    0SOL     H3    3  -0.030706  -0.130016   0.147931
-    1SOL     O4    4   0.037602   0.041413  -0.134192
-    1SOL     H5    5  -0.049140   0.076953  -0.114827
-    1SOL     H6    6   0.056666  -0.016779  -0.060622
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137787   0.032504  -0.003776
-    0SOL     H2    2   0.192242   0.014426  -0.080393
-    0SOL     H3    3   0.051772  -0.002743  -0.026612
-    1SOL     O4    4  -0.133527  -0.026830   0.003109
-    1SOL     H5    5  -0.160984  -0.117361   0.017686
-    1SOL     H6    6  -0.146905   0.016200   0.087559
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040514   0.107894   0.072281
-    0SOL     H2    2  -0.028742   0.192106   0.028327
-    0SOL     H3    3  -0.135400   0.097880   0.079945
-    1SOL     O4    4   0.040006  -0.113739  -0.073736
-    1SOL     H5    5   0.125420  -0.156920  -0.075245
-    1SOL     H6    6   0.050610  -0.041738  -0.011562
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115629  -0.023653   0.068778
-    0SOL     H2    2  -0.167538   0.015213  -0.001630
-    0SOL     H3    3  -0.143691   0.022702   0.147683
-    1SOL     O4    4   0.125449   0.018367  -0.065048
-    1SOL     H5    5   0.125552   0.039280  -0.158456
-    1SOL     H6    6   0.033287   0.003521  -0.043881
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006631   0.028087   0.130678
-    0SOL     H2    2  -0.022788   0.115557   0.156090
-    0SOL     H3    3   0.068906   0.002954   0.198887
-    1SOL     O4    4  -0.009066  -0.037088  -0.140572
-    1SOL     H5    5  -0.005475   0.056573  -0.159986
-    1SOL     H6    6  -0.003687  -0.042038  -0.045132
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062426   0.032863   0.125577
-    0SOL     H2    2   0.108594  -0.043687   0.159795
-    0SOL     H3    3   0.027501   0.004103   0.041224
-    1SOL     O4    4  -0.057879  -0.023724  -0.119209
-    1SOL     H5    5  -0.083196  -0.008948  -0.210331
-    1SOL     H6    6  -0.118723  -0.090681  -0.087952
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092161   0.086333  -0.048862
-    0SOL     H2    2   0.139909   0.073776  -0.130866
-    0SOL     H3    3   0.153148   0.134125   0.007342
-    1SOL     O4    4  -0.098041  -0.092319   0.055598
-    1SOL     H5    5  -0.029993  -0.033303   0.023213
-    1SOL     H6    6  -0.170677  -0.081146  -0.005733
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018983   0.030069  -0.134106
-    0SOL     H2    2  -0.026836   0.104080  -0.173921
-    0SOL     H3    3   0.105411   0.064582  -0.111714
-    1SOL     O4    4  -0.022293  -0.038538   0.141354
-    1SOL     H5    5   0.051577  -0.063919   0.086024
-    1SOL     H6    6  -0.073445   0.021449   0.087063
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070522  -0.089900  -0.092619
-    0SOL     H2    2   0.046171  -0.046297  -0.174277
-    0SOL     H3    3   0.021319  -0.043370  -0.024970
-    1SOL     O4    4  -0.062853   0.079216   0.095080
-    1SOL     H5    5  -0.035949   0.170986   0.099163
-    1SOL     H6    6  -0.150460   0.081580   0.056586
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018510   0.064689  -0.116792
-    0SOL     H2    2  -0.083390   0.075452  -0.186341
-    0SOL     H3    3   0.060903   0.105269  -0.151564
-    1SOL     O4    4   0.022840  -0.066129   0.127383
-    1SOL     H5    5  -0.000162  -0.034599   0.039981
-    1SOL     H6    6  -0.044527  -0.130922   0.148020
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117398  -0.009566  -0.087236
-    0SOL     H2    2   0.146414  -0.099864  -0.100146
-    0SOL     H3    3   0.047288  -0.015928  -0.022379
-    1SOL     O4    4  -0.112829   0.009195   0.082395
-    1SOL     H5    5  -0.096677   0.050526   0.167208
-    1SOL     H6    6  -0.163282   0.074059   0.033309
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065849   0.082924   0.102068
-    0SOL     H2    2   0.002433   0.092726   0.173093
-    0SOL     H3    3   0.032348   0.010013   0.049875
-    1SOL     O4    4  -0.058283  -0.079753  -0.096608
-    1SOL     H5    5  -0.063880  -0.149992  -0.161396
-    1SOL     H6    6  -0.083095  -0.000763  -0.144643
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079037   0.088833   0.089592
-    0SOL     H2    2   0.149736   0.025016   0.099152
-    0SOL     H3    3   0.009377   0.040931   0.044700
-    1SOL     O4    4  -0.083962  -0.078170  -0.083777
-    1SOL     H5    5  -0.015140  -0.046114  -0.142072
-    1SOL     H6    6  -0.074923  -0.173434  -0.086085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060376   0.067363  -0.110000
-    0SOL     H2    2   0.029702   0.097619  -0.121524
-    0SOL     H3    3  -0.109501   0.146327  -0.087334
-    1SOL     O4    4   0.060441  -0.079148   0.111378
-    1SOL     H5    5   0.075245   0.007456   0.149363
-    1SOL     H6    6   0.002381  -0.063119   0.036984
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019342   0.130282   0.064285
-    0SOL     H2    2  -0.034976   0.199853   0.027248
-    0SOL     H3    3   0.032397   0.068954  -0.008038
-    1SOL     O4    4  -0.020174  -0.128551  -0.063736
-    1SOL     H5    5   0.072805  -0.134548  -0.041795
-    1SOL     H6    6  -0.065412  -0.158809   0.015006
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033791   0.119127  -0.060434
-    0SOL     H2    2   0.018428   0.185567  -0.105392
-    0SOL     H3    3  -0.115796   0.115678  -0.109684
-    1SOL     O4    4   0.033813  -0.126413   0.071247
-    1SOL     H5    5   0.108711  -0.136468   0.012498
-    1SOL     H6    6  -0.014528  -0.051723   0.035935
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069701  -0.041336   0.114993
-    0SOL     H2    2   0.069461  -0.099253   0.191202
-    0SOL     H3    3   0.134178  -0.079945   0.055711
-    1SOL     O4    4  -0.079406   0.049202  -0.117856
-    1SOL     H5    5  -0.052536   0.017585  -0.031597
-    1SOL     H6    6  -0.000796   0.041251  -0.171889
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094897  -0.054062  -0.087440
-    0SOL     H2    2  -0.175644  -0.035986  -0.135560
-    0SOL     H3    3  -0.077515  -0.146777  -0.103698
-    1SOL     O4    4   0.103966   0.055851   0.093669
-    1SOL     H5    5   0.041066   0.019849   0.031141
-    1SOL     H6    6   0.070170   0.143017   0.114217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048822   0.057797   0.121217
-    0SOL     H2    2  -0.131207   0.009400   0.115498
-    0SOL     H3    3  -0.075318   0.148728   0.135065
-    1SOL     O4    4   0.059770  -0.065129  -0.120256
-    1SOL     H5    5   0.029252   0.004405  -0.061981
-    1SOL     H6    6   0.014651  -0.048590  -0.203038
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013366  -0.102956   0.111367
-    0SOL     H2    2  -0.074833  -0.133802   0.090588
-    0SOL     H3    3   0.037292  -0.047085   0.037420
-    1SOL     O4    4  -0.004659   0.104990  -0.101608
-    1SOL     H5    5   0.016590   0.061432  -0.184152
-    1SOL     H6    6  -0.098734   0.091108  -0.090671
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095972  -0.063585  -0.088322
-    0SOL     H2    2   0.137587   0.019351  -0.111817
-    0SOL     H3    3   0.046678  -0.088680  -0.166442
-    1SOL     O4    4  -0.093936   0.061150   0.099837
-    1SOL     H5    5  -0.176842   0.089239   0.061109
-    1SOL     H6    6  -0.046767   0.019300   0.027824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019041   0.110046   0.086916
-    0SOL     H2    2  -0.069976   0.142650   0.100154
-    0SOL     H3    3   0.066544   0.137429   0.165376
-    1SOL     O4    4  -0.021167  -0.114533  -0.095798
-    1SOL     H5    5   0.052524  -0.173605  -0.080223
-    1SOL     H6    6  -0.002424  -0.037952  -0.041518
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065916  -0.122273   0.045075
-    0SOL     H2    2   0.089598  -0.120880   0.137809
-    0SOL     H3    3  -0.017898  -0.168430   0.042401
-    1SOL     O4    4  -0.064692   0.130349  -0.053563
-    1SOL     H5    5   0.019320   0.084476  -0.053553
-    1SOL     H6    6  -0.117409   0.083893   0.011438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033361   0.113654   0.097813
-    0SOL     H2    2  -0.121138   0.075564   0.100404
-    0SOL     H3    3   0.021985   0.044014   0.062464
-    1SOL     O4    4   0.033116  -0.109090  -0.089822
-    1SOL     H5    5   0.124653  -0.095569  -0.114328
-    1SOL     H6    6  -0.016019  -0.091957  -0.170162
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052221  -0.070156   0.114378
-    0SOL     H2    2  -0.056369   0.011981   0.163355
-    0SOL     H3    3  -0.037270  -0.137148   0.181093
-    1SOL     O4    4   0.046940   0.067358  -0.126589
-    1SOL     H5    5   0.127997   0.117862  -0.133024
-    1SOL     H6    6   0.042987   0.039890  -0.034980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102550   0.005560  -0.102391
-    0SOL     H2    2   0.142142   0.086670  -0.070519
-    0SOL     H3    3   0.108131   0.011978  -0.197733
-    1SOL     O4    4  -0.106645  -0.015306   0.110994
-    1SOL     H5    5  -0.145210   0.070561   0.093622
-    1SOL     H6    6  -0.038822  -0.025118   0.044165
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067605  -0.113305  -0.079014
-    0SOL     H2    2  -0.053435  -0.023959  -0.047729
-    0SOL     H3    3  -0.017371  -0.118510  -0.160327
-    1SOL     O4    4   0.067595   0.108412   0.076329
-    1SOL     H5    5   0.092523   0.082828   0.165134
-    1SOL     H6    6  -0.024362   0.133962   0.083635
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015315   0.134396  -0.057186
-    0SOL     H2    2  -0.013911   0.220234  -0.014851
-    0SOL     H3    3   0.054334   0.138806  -0.122699
-    1SOL     O4    4   0.011478  -0.140105   0.065682
-    1SOL     H5    5   0.035908  -0.062892   0.014656
-    1SOL     H6    6  -0.015045  -0.204718   0.000231
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006083  -0.142072   0.064708
-    0SOL     H2    2  -0.012813  -0.059216   0.017254
-    0SOL     H3    3   0.039955  -0.119728   0.145600
-    1SOL     O4    4   0.006351   0.132193  -0.061729
-    1SOL     H5    5   0.014365   0.111699  -0.154885
-    1SOL     H6    6  -0.045911   0.212346  -0.059198
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052631   0.074074   0.127955
-    0SOL     H2    2  -0.104143   0.134419   0.074409
-    0SOL     H3    3   0.002376   0.027242   0.065159
-    1SOL     O4    4   0.051462  -0.072662  -0.114601
-    1SOL     H5    5   0.035275  -0.026531  -0.196894
-    1SOL     H6    6   0.087209  -0.157377  -0.141206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027768  -0.057690  -0.132622
-    0SOL     H2    2  -0.053820  -0.084229  -0.175064
-    0SOL     H3    3   0.092570  -0.057688  -0.203071
-    1SOL     O4    4  -0.024831   0.064872   0.140996
-    1SOL     H5    5   0.005548   0.019636   0.062300
-    1SOL     H6    6  -0.086378   0.003793   0.181537
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004875  -0.121036   0.084794
-    0SOL     H2    2  -0.039640  -0.201294   0.111990
-    0SOL     H3    3   0.056627  -0.095268   0.161083
-    1SOL     O4    4  -0.003702   0.130319  -0.089980
-    1SOL     H5    5   0.017043   0.069225  -0.160687
-    1SOL     H6    6  -0.051894   0.077705  -0.026171
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153305   0.023866   0.025648
-    0SOL     H2    2   0.193543  -0.062802   0.031299
-    0SOL     H3    3   0.061365   0.006375   0.005562
-    1SOL     O4    4  -0.145409  -0.020796  -0.028205
-    1SOL     H5    5  -0.197539   0.056030  -0.051497
-    1SOL     H6    6  -0.181338  -0.049639   0.055696
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.082734  -0.114123  -0.060756
-    0SOL     H2    2   0.066902  -0.141687   0.029532
-    0SOL     H3    3   0.177454  -0.101219  -0.065650
-    1SOL     O4    4  -0.091400   0.120586   0.056203
-    1SOL     H5    5  -0.075541   0.054999   0.124094
-    1SOL     H6    6  -0.035438   0.093721  -0.016659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024865  -0.106860   0.114504
-    0SOL     H2    2  -0.094906  -0.168846   0.094151
-    0SOL     H3    3  -0.029662  -0.041479   0.044757
-    1SOL     O4    4   0.030071   0.109079  -0.102877
-    1SOL     H5    5   0.096924   0.093680  -0.169628
-    1SOL     H6    6  -0.052744   0.090407  -0.147097
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054822  -0.032853   0.149526
-    0SOL     H2    2   0.120881  -0.100850   0.136295
-    0SOL     H3    3   0.038403   0.002026   0.061912
-    1SOL     O4    4  -0.056084   0.036885  -0.136907
-    1SOL     H5    5  -0.021405   0.068190  -0.220452
-    1SOL     H6    6  -0.121284  -0.028881  -0.161118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015630   0.014176  -0.164162
-    0SOL     H2    2  -0.102821   0.045720  -0.140388
-    0SOL     H3    3   0.020094  -0.021269  -0.082739
-    1SOL     O4    4   0.021549  -0.009505   0.154327
-    1SOL     H5    5   0.064905  -0.087257   0.189501
-    1SOL     H6    6  -0.068605  -0.015979   0.185834
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127809  -0.032327  -0.086082
-    0SOL     H2    2  -0.197629  -0.072874  -0.137497
-    0SOL     H3    3  -0.122342  -0.085648  -0.006777
-    1SOL     O4    4   0.132971   0.039107   0.090542
-    1SOL     H5    5   0.089379   0.094209   0.025535
-    1SOL     H6    6   0.145720  -0.044775   0.046228
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084071   0.138864  -0.018855
-    0SOL     H2    2  -0.040156   0.062291  -0.055874
-    0SOL     H3    3  -0.174001   0.132871  -0.051088
-    1SOL     O4    4   0.087670  -0.131413   0.016461
-    1SOL     H5    5   0.146467  -0.142767   0.091136
-    1SOL     H6    6   0.007825  -0.177890   0.041500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042391   0.075104  -0.144605
-    0SOL     H2    2   0.014081   0.133336  -0.093789
-    0SOL     H3    3  -0.110824   0.048448  -0.083215
-    1SOL     O4    4   0.044470  -0.074042   0.144737
-    1SOL     H5    5  -0.036669  -0.114655   0.114253
-    1SOL     H6    6   0.103477  -0.078914   0.069526
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070000  -0.042656  -0.146437
-    0SOL     H2    2   0.159188  -0.067839  -0.122488
-    0SOL     H3    3   0.035596  -0.118363  -0.193841
-    1SOL     O4    4  -0.073243   0.040475   0.148058
-    1SOL     H5    5  -0.051223   0.095700   0.073041
-    1SOL     H6    6  -0.086802   0.102081   0.220053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020612  -0.153278  -0.090161
-    0SOL     H2    2  -0.072708  -0.194314  -0.021136
-    0SOL     H3    3  -0.068868  -0.073702  -0.112552
-    1SOL     O4    4   0.021805   0.154624   0.091051
-    1SOL     H5    5   0.117353   0.157573   0.095969
-    1SOL     H6    6   0.003337   0.094889   0.018573
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083369   0.158696  -0.048088
-    0SOL     H2    2  -0.089086   0.085331  -0.109301
-    0SOL     H3    3  -0.150128   0.140114   0.017945
-    1SOL     O4    4   0.086062  -0.158614   0.051890
-    1SOL     H5    5   0.097233  -0.164071  -0.043019
-    1SOL     H6    6   0.100310  -0.066222   0.072459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095433  -0.141810   0.075032
-    0SOL     H2    2   0.180047  -0.108888   0.105346
-    0SOL     H3    3   0.042399  -0.063211   0.061925
-    1SOL     O4    4  -0.094933   0.142099  -0.076918
-    1SOL     H5    5  -0.150809   0.109346  -0.006438
-    1SOL     H6    6  -0.079198   0.065777  -0.132503
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045512   0.131523   0.125795
-    0SOL     H2    2  -0.019249   0.112364   0.193627
-    0SOL     H3    3   0.114909   0.067145   0.140001
-    1SOL     O4    4  -0.048955  -0.121228  -0.129167
-    1SOL     H5    5   0.039672  -0.134667  -0.162740
-    1SOL     H6    6  -0.082430  -0.209569  -0.113751
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017810   0.134862  -0.124238
-    0SOL     H2    2  -0.043260   0.208525  -0.121681
-    0SOL     H3    3   0.104015   0.175460  -0.133331
-    1SOL     O4    4  -0.018570  -0.144807   0.129522
-    1SOL     H5    5  -0.001938  -0.051281   0.117751
-    1SOL     H6    6  -0.054090  -0.173634   0.045441
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012964  -0.182527  -0.058525
-    0SOL     H2    2   0.046193  -0.272282  -0.059947
-    0SOL     H3    3   0.036297  -0.146936  -0.144264
-    1SOL     O4    4  -0.015325   0.180656   0.068433
-    1SOL     H5    5  -0.085510   0.183942   0.003428
-    1SOL     H6    6   0.037572   0.258410   0.050589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107576  -0.164376  -0.016499
-    0SOL     H2    2  -0.176371  -0.214914  -0.059806
-    0SOL     H3    3  -0.144151  -0.142603   0.069236
-    1SOL     O4    4   0.108454   0.165574   0.019167
-    1SOL     H5    5   0.110548   0.131152  -0.070125
-    1SOL     H6    6   0.192475   0.210215   0.029655
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116669   0.166366  -0.004738
-    0SOL     H2    2   0.138404   0.232068  -0.070868
-    0SOL     H3    3   0.118418   0.214237   0.078134
-    1SOL     O4    4  -0.116125  -0.175964  -0.001762
-    1SOL     H5    5  -0.114228  -0.080783   0.008210
-    1SOL     H6    6  -0.149232  -0.208220   0.082058
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015939  -0.173268  -0.127114
-    0SOL     H2    2   0.067826  -0.139439  -0.158758
-    0SOL     H3    3  -0.007742  -0.172267  -0.031751
-    1SOL     O4    4   0.013403   0.172056   0.117369
-    1SOL     H5    5   0.025355   0.230424   0.192286
-    1SOL     H6    6  -0.040092   0.100244   0.151190
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025133  -0.065037  -0.203899
-    0SOL     H2    2   0.022041  -0.017121  -0.272024
-    0SOL     H3    3  -0.062557   0.003162  -0.148125
-    1SOL     O4    4   0.026951   0.063279   0.201268
-    1SOL     H5    5   0.044456  -0.029429   0.185109
-    1SOL     H6    6  -0.032231   0.063771   0.276498
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041398   0.112128  -0.184442
-    0SOL     H2    2  -0.003575   0.189335  -0.218776
-    0SOL     H3    3   0.126145   0.145053  -0.154505
-    1SOL     O4    4  -0.037999  -0.116861   0.181088
-    1SOL     H5    5  -0.070041  -0.072915   0.259855
-    1SOL     H6    6  -0.104981  -0.182276   0.161172
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102057   0.176976   0.088117
-    0SOL     H2    2   0.100124   0.197136   0.181670
-    0SOL     H3    3   0.191001   0.145382   0.072209
-    1SOL     O4    4  -0.104937  -0.169562  -0.092295
-    1SOL     H5    5  -0.113399  -0.223310  -0.013543
-    1SOL     H6    6  -0.123165  -0.229722  -0.164481
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070458  -0.211627  -0.035619
-    0SOL     H2    2   0.062874  -0.297789   0.005379
-    0SOL     H3    3   0.160094  -0.208778  -0.069080
-    1SOL     O4    4  -0.077634   0.221685   0.037813
-    1SOL     H5    5  -0.027967   0.214121  -0.043663
-    1SOL     H6    6  -0.079267   0.132787   0.073265
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011765   0.179995  -0.149044
-    0SOL     H2    2   0.054709   0.173276  -0.217589
-    0SOL     H3    3  -0.090047   0.211110  -0.194498
-    1SOL     O4    4   0.012038  -0.176452   0.150392
-    1SOL     H5    5   0.077740  -0.245971   0.153942
-    1SOL     H6    6  -0.044680  -0.193169   0.225665
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.213194   0.060342   0.122765
-    0SOL     H2    2  -0.148096   0.035125   0.188253
-    0SOL     H3    3  -0.240856  -0.022376   0.083333
-    1SOL     O4    4   0.210850  -0.049130  -0.129895
-    1SOL     H5    5   0.244173  -0.138862  -0.129658
-    1SOL     H6    6   0.179010  -0.035119  -0.040720
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.188728   0.073654  -0.148381
-    0SOL     H2    2  -0.271812   0.100856  -0.109402
-    0SOL     H3    3  -0.137199   0.154148  -0.153654
-    1SOL     O4    4   0.189698  -0.081664   0.140682
-    1SOL     H5    5   0.204427  -0.127135   0.223614
-    1SOL     H6    6   0.182916   0.010710   0.164835
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063210  -0.224406  -0.121487
-    0SOL     H2    2  -0.042136  -0.302182  -0.069823
-    0SOL     H3    3  -0.001167  -0.158039  -0.091348
-    1SOL     O4    4   0.054260   0.220346   0.115412
-    1SOL     H5    5   0.118561   0.220231   0.186318
-    1SOL     H6    6   0.066604   0.304735   0.071957
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116135  -0.178390   0.175104
-    0SOL     H2    2   0.191817  -0.221730   0.135656
-    0SOL     H3    3   0.040536  -0.217734   0.131524
-    1SOL     O4    4  -0.116493   0.185291  -0.176386
-    1SOL     H5    5  -0.188263   0.166143  -0.116015
-    1SOL     H6    6  -0.037215   0.166407  -0.126180
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027169  -0.262236   0.141204
-    0SOL     H2    2   0.032120  -0.229967   0.231185
-    0SOL     H3    3   0.029889  -0.183252   0.087200
-    1SOL     O4    4  -0.026652   0.249515  -0.144408
-    1SOL     H5    5  -0.075694   0.290793  -0.073321
-    1SOL     H6    6   0.007375   0.322763  -0.195781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094681  -0.243427  -0.134215
-    0SOL     H2    2  -0.171149  -0.263499  -0.080251
-    0SOL     H3    3  -0.130943  -0.203690  -0.213388
-    1SOL     O4    4   0.102298   0.239514   0.141474
-    1SOL     H5    5   0.023923   0.273735   0.098477
-    1SOL     H6    6   0.172770   0.254652   0.078491
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101867   0.135034  -0.260265
-    0SOL     H2    2   0.125198   0.217199  -0.303473
-    0SOL     H3    3   0.099139   0.070637  -0.331031
-    1SOL     O4    4  -0.104032  -0.133169   0.273094
-    1SOL     H5    5  -0.074288  -0.222358   0.255120
-    1SOL     H6    6  -0.115744  -0.093887   0.186594
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079688  -0.338492  -0.010209
-    0SOL     H2    2  -0.169502  -0.305427  -0.008620
-    0SOL     H3    3  -0.049015  -0.328982   0.079963
-    1SOL     O4    4   0.080527   0.333615  -0.000728
-    1SOL     H5    5   0.086290   0.424791   0.027840
-    1SOL     H6    6   0.124104   0.283962   0.068539
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026324   0.332122   0.146667
-    0SOL     H2    2  -0.066002   0.274821   0.081058
-    0SOL     H3    3  -0.050456   0.420539   0.119054
-    1SOL     O4    4   0.031239  -0.331008  -0.147104
-    1SOL     H5    5   0.088852  -0.391170  -0.099949
-    1SOL     H6    6  -0.048079  -0.326909  -0.093679
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105741   0.367178   0.025925
-    0SOL     H2    2   0.091594   0.452432   0.067083
-    0SOL     H3    3   0.193669   0.341440   0.053648
-    1SOL     O4    4  -0.107650  -0.375804  -0.025606
-    1SOL     H5    5  -0.172542  -0.308200  -0.006083
-    1SOL     H6    6  -0.080937  -0.358095  -0.115801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.226954  -0.038048   0.350954
-    0SOL     H2    2   0.137801  -0.038143   0.385798
-    0SOL     H3    3   0.268526  -0.114307   0.391187
-    1SOL     O4    4  -0.227690   0.048154  -0.356898
-    1SOL     H5    5  -0.146240   0.010029  -0.389682
-    1SOL     H6    6  -0.258045  -0.013632  -0.290390
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040190   0.267350   0.385557
-    0SOL     H2    2   0.028686   0.317708   0.428944
-    0SOL     H3    3  -0.092673   0.332991   0.339741
-    1SOL     O4    4   0.037766  -0.280996  -0.386648
-    1SOL     H5    5   0.124749  -0.242673  -0.375350
-    1SOL     H6    6  -0.022398  -0.207136  -0.377304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099874   0.462913  -0.270700
-    0SOL     H2    2   0.041086   0.422362  -0.206967
-    0SOL     H3    3   0.092770   0.556816  -0.253548
-    1SOL     O4    4  -0.101290  -0.468764   0.268258
-    1SOL     H5    5  -0.023954  -0.444744   0.319292
-    1SOL     H6    6  -0.082142  -0.437896   0.179699
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.093852  -0.497495   0.369630
-    0SOL     H2    2   0.145654  -0.495451   0.289164
-    0SOL     H3    3   0.058175  -0.409018   0.377458
-    1SOL     O4    4  -0.095038   0.490088  -0.371490
-    1SOL     H5    5  -0.063689   0.445629  -0.292731
-    1SOL     H6    6  -0.122108   0.576689  -0.340996
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040316   0.525087   0.330955
-    0SOL     H2    2   0.124506   0.542655   0.288935
-    0SOL     H3    3   0.017110   0.607573   0.373614
-    1SOL     O4    4  -0.040161  -0.531273  -0.336455
-    1SOL     H5    5  -0.021508  -0.562350  -0.247863
-    1SOL     H6    6  -0.126702  -0.490885  -0.329996
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.451526   0.267004   0.352013
-    0SOL     H2    2   0.385128   0.198560   0.360322
-    0SOL     H3    3   0.526154   0.223201   0.311095
-    1SOL     O4    4  -0.449691  -0.257084  -0.354773
-    1SOL     H5    5  -0.432689  -0.250724  -0.260790
-    1SOL     H6    6  -0.509740  -0.331131  -0.363342
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.847838  -0.062146   0.371849
-    0SOL     H2    2  -0.807055   0.014916   0.332346
-    0SOL     H3    3  -0.892328  -0.105685   0.299136
-    1SOL     O4    4   0.850278   0.066240  -0.363859
-    1SOL     H5    5   0.887544  -0.019806  -0.344633
-    1SOL     H6    6   0.773601   0.047621  -0.418047
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.832912  -0.487341   0.088283
-    0SOL     H2    2  -0.840878  -0.396864   0.058070
-    0SOL     H3    3  -0.759932  -0.485629   0.150197
-    1SOL     O4    4   0.831358   0.488408  -0.088839
-    1SOL     H5    5   0.852421   0.430877  -0.162384
-    1SOL     H6    6   0.768644   0.438491  -0.036517
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/340K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.830365  -0.093703  -0.570985
-    0SOL     H2    2   0.853110  -0.001639  -0.557978
-    0SOL     H3    3   0.741558  -0.091677  -0.606642
-    1SOL     O4    4  -0.828870   0.090267   0.578919
-    1SOL     H5    5  -0.863139   0.125476   0.496772
-    1SOL     H6    6  -0.758634   0.030987   0.552174
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103488   0.047782  -0.039975
-    0SOL     H2    2  -0.123485   0.099928  -0.117713
-    0SOL     H3    3  -0.182823   0.052793   0.013346
-    1SOL     O4    4   0.110942  -0.058695   0.042665
-    1SOL     H5    5   0.028376  -0.016330   0.019202
-    1SOL     H6    6   0.173658   0.013264   0.049800
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005985   0.110312   0.059429
-    0SOL     H2    2  -0.080606   0.109618   0.119375
-    0SOL     H3    3  -0.016819   0.190663   0.008550
-    1SOL     O4    4   0.008074  -0.118936  -0.063836
-    1SOL     H5    5   0.083654  -0.138583  -0.008483
-    1SOL     H6    6  -0.011499  -0.026959  -0.045963
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090618   0.086929   0.015143
-    0SOL     H2    2   0.085655   0.072828   0.109689
-    0SOL     H3    3   0.182829   0.106588  -0.001381
-    1SOL     O4    4  -0.094080  -0.093645  -0.018133
-    1SOL     H5    5  -0.044205  -0.012529  -0.008389
-    1SOL     H6    6  -0.178558  -0.065777  -0.053477
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021659   0.079718   0.108627
-    0SOL     H2    2   0.022255   0.023274   0.031322
-    0SOL     H3    3   0.088507   0.042417   0.166092
-    1SOL     O4    4  -0.023032  -0.067900  -0.105662
-    1SOL     H5    5  -0.114552  -0.095288  -0.111683
-    1SOL     H6    6   0.027005  -0.146128  -0.128878
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045845   0.003651  -0.119282
-    0SOL     H2    2   0.110580   0.074026  -0.114912
-    0SOL     H3    3   0.065241  -0.041740  -0.201293
-    1SOL     O4    4  -0.057974  -0.006616   0.123319
-    1SOL     H5    5  -0.009487   0.017617   0.202212
-    1SOL     H6    6   0.008075  -0.008058   0.054053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068702  -0.117403  -0.017609
-    0SOL     H2    2  -0.056663  -0.025153   0.004915
-    0SOL     H3    3  -0.099572  -0.158048   0.063369
-    1SOL     O4    4   0.066073   0.110260   0.015233
-    1SOL     H5    5   0.159877   0.103961  -0.002751
-    1SOL     H6    6   0.037201   0.186817  -0.034446
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058819  -0.061560   0.097090
-    0SOL     H2    2   0.033151  -0.143121   0.140117
-    0SOL     H3    3   0.085584  -0.004016   0.168747
-    1SOL     O4    4  -0.055936   0.068482  -0.105214
-    1SOL     H5    5  -0.140523   0.039726  -0.139570
-    1SOL     H6    6  -0.026277  -0.004244  -0.050500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072041   0.105060   0.032605
-    0SOL     H2    2   0.075763   0.058818   0.116331
-    0SOL     H3    3   0.119602   0.186665   0.048125
-    1SOL     O4    4  -0.075628  -0.114025  -0.037532
-    1SOL     H5    5  -0.127037  -0.062019  -0.099296
-    1SOL     H6    6  -0.016682  -0.050907   0.003744
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.096030   0.098945  -0.033203
-    0SOL     H2    2   0.060749   0.009967  -0.032582
-    0SOL     H3    3   0.102396   0.122883   0.059257
-    1SOL     O4    4  -0.093150  -0.088792   0.030312
-    1SOL     H5    5  -0.131660  -0.119470  -0.051774
-    1SOL     H6    6  -0.076814  -0.168657   0.080481
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009584   0.073178   0.109169
-    0SOL     H2    2   0.057469   0.114084   0.163876
-    0SOL     H3    3  -0.067634   0.029151   0.171251
-    1SOL     O4    4   0.014300  -0.075658  -0.119206
-    1SOL     H5    5   0.014422  -0.020248  -0.041154
-    1SOL     H6    6  -0.078340  -0.086901  -0.140510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092296   0.085531  -0.037954
-    0SOL     H2    2  -0.059336   0.170923  -0.065958
-    0SOL     H3    3  -0.160576   0.064135  -0.101534
-    1SOL     O4    4   0.099429  -0.090557   0.039400
-    1SOL     H5    5   0.088783  -0.129677   0.126110
-    1SOL     H6    6   0.021285  -0.036531   0.027689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092661   0.001322  -0.105935
-    0SOL     H2    2   0.027575  -0.022062  -0.039758
-    0SOL     H3    3   0.086969  -0.068672  -0.170979
-    1SOL     O4    4  -0.084654  -0.001182   0.102840
-    1SOL     H5    5  -0.059089   0.086684   0.130916
-    1SOL     H6    6  -0.178201  -0.006373   0.122445
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013419  -0.040395   0.137302
-    0SOL     H2    2   0.015063  -0.043450   0.041644
-    0SOL     H3    3  -0.060191   0.017108   0.158215
-    1SOL     O4    4  -0.009878   0.037284  -0.127288
-    1SOL     H5    5  -0.062795  -0.009390  -0.191970
-    1SOL     H6    6   0.057840   0.081125  -0.178810
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041769  -0.098332  -0.078700
-    0SOL     H2    2  -0.023962  -0.083265  -0.171534
-    0SOL     H3    3  -0.021413  -0.190864  -0.065069
-    1SOL     O4    4   0.035059   0.105921   0.087319
-    1SOL     H5    5   0.129888   0.118828   0.085542
-    1SOL     H6    6   0.018443   0.040656   0.019299
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080362   0.047663   0.109698
-    0SOL     H2    2   0.005212   0.091791   0.149290
-    0SOL     H3    3   0.043227  -0.002547   0.037156
-    1SOL     O4    4  -0.069847  -0.047357  -0.102850
-    1SOL     H5    5  -0.074778  -0.107437  -0.177204
-    1SOL     H6    6  -0.142085   0.013906  -0.116667
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024168  -0.047671   0.133813
-    0SOL     H2    2  -0.030176  -0.017824   0.043064
-    0SOL     H3    3   0.028527  -0.127459   0.129395
-    1SOL     O4    4   0.026179   0.049566  -0.123277
-    1SOL     H5    5  -0.023378  -0.019287  -0.167611
-    1SOL     H6    6  -0.004181   0.130831  -0.163732
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096113  -0.043467   0.090428
-    0SOL     H2    2  -0.033132  -0.114730   0.101255
-    0SOL     H3    3  -0.166589  -0.081486   0.037987
-    1SOL     O4    4   0.102459   0.049275  -0.088349
-    1SOL     H5    5   0.051602   0.107828  -0.144452
-    1SOL     H6    6   0.038047   0.011447  -0.028496
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052676  -0.016792  -0.134501
-    0SOL     H2    2  -0.030100   0.023093  -0.050466
-    0SOL     H3    3  -0.019974  -0.106520  -0.128035
-    1SOL     O4    4   0.052076   0.013606   0.126751
-    1SOL     H5    5  -0.037726   0.031159   0.154855
-    1SOL     H6    6   0.099229   0.094904   0.144903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033389  -0.141077  -0.003298
-    0SOL     H2    2   0.004394  -0.052958   0.020293
-    0SOL     H3    3   0.103586  -0.127037  -0.066840
-    1SOL     O4    4  -0.030855   0.132721   0.009288
-    1SOL     H5    5  -0.033878   0.147004  -0.085312
-    1SOL     H6    6  -0.115759   0.163570   0.040941
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135073   0.008019  -0.050034
-    0SOL     H2    2   0.045530   0.007437  -0.016210
-    0SOL     H3    3   0.167995   0.095472  -0.029288
-    1SOL     O4    4  -0.134041  -0.006363   0.047786
-    1SOL     H5    5  -0.077364  -0.056589   0.106330
-    1SOL     H6    6  -0.153259  -0.066336  -0.024299
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135644   0.009635  -0.025350
-    0SOL     H2    2   0.161986  -0.039123  -0.103396
-    0SOL     H3    3   0.157030  -0.048503   0.047622
-    1SOL     O4    4  -0.144145  -0.007142   0.021739
-    1SOL     H5    5  -0.157514   0.054398   0.093825
-    1SOL     H6    6  -0.049458  -0.007476   0.007719
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106591   0.039951   0.078097
-    0SOL     H2    2  -0.116375   0.127012   0.116658
-    0SOL     H3    3  -0.081378  -0.016103   0.151476
-    1SOL     O4    4   0.109356  -0.037442  -0.088142
-    1SOL     H5    5   0.039600  -0.011637  -0.027888
-    1SOL     H6    6   0.114050  -0.132703  -0.080034
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036701   0.051078   0.120548
-    0SOL     H2    2  -0.017843   0.024727   0.194662
-    0SOL     H3    3   0.051257   0.144783   0.133582
-    1SOL     O4    4  -0.038671  -0.059417  -0.124173
-    1SOL     H5    5   0.016744  -0.004049  -0.069166
-    1SOL     H6    6  -0.014553  -0.036006  -0.213797
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085796   0.068252  -0.093410
-    0SOL     H2    2  -0.050376   0.134012  -0.153271
-    0SOL     H3    3  -0.008633   0.024465  -0.057479
-    1SOL     O4    4   0.082221  -0.063433   0.092896
-    1SOL     H5    5   0.101597  -0.150487   0.058132
-    1SOL     H6    6   0.013092  -0.078205   0.157436
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137292  -0.020093  -0.044913
-    0SOL     H2    2   0.119922  -0.038134  -0.137299
-    0SOL     H3    3   0.050529  -0.013383  -0.005046
-    1SOL     O4    4  -0.124969   0.022457   0.046431
-    1SOL     H5    5  -0.166647   0.020719   0.132583
-    1SOL     H6    6  -0.194046  -0.004298  -0.014190
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109966   0.073509   0.039795
-    0SOL     H2    2   0.110028   0.035808   0.127778
-    0SOL     H3    3   0.200628   0.065446   0.010167
-    1SOL     O4    4  -0.115299  -0.076465  -0.047377
-    1SOL     H5    5  -0.041605  -0.018889  -0.026968
-    1SOL     H6    6  -0.188030  -0.041525   0.004116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085877   0.096140   0.050996
-    0SOL     H2    2   0.016619   0.143591   0.005017
-    0SOL     H3    3   0.104034   0.149318   0.128487
-    1SOL     O4    4  -0.087993  -0.099608  -0.056405
-    1SOL     H5    5  -0.068430  -0.192215  -0.042141
-    1SOL     H6    6  -0.017176  -0.052997  -0.011968
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124248  -0.009102  -0.062568
-    0SOL     H2    2   0.170921  -0.038591   0.015626
-    0SOL     H3    3   0.162115   0.076582  -0.082235
-    1SOL     O4    4  -0.134257   0.004134   0.062635
-    1SOL     H5    5  -0.082019   0.082966   0.077433
-    1SOL     H6    6  -0.090422  -0.040447  -0.009845
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052789  -0.130635   0.010338
-    0SOL     H2    2  -0.070565  -0.128092  -0.083682
-    0SOL     H3    3   0.018679  -0.193641   0.019555
-    1SOL     O4    4   0.048915   0.138974  -0.010176
-    1SOL     H5    5   0.019640   0.047841  -0.010311
-    1SOL     H6    6   0.093646   0.149687   0.073769
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021045   0.019282   0.141145
-    0SOL     H2    2   0.001419   0.104940   0.177483
-    0SOL     H3    3  -0.099249   0.035370   0.088347
-    1SOL     O4    4   0.018884  -0.022275  -0.142599
-    1SOL     H5    5   0.076115  -0.085126  -0.186605
-    1SOL     H6    6   0.057679  -0.011172  -0.055801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099345   0.088735  -0.061161
-    0SOL     H2    2   0.170376   0.073282  -0.123436
-    0SOL     H3    3   0.071006   0.001168  -0.034868
-    1SOL     O4    4  -0.095828  -0.081457   0.060533
-    1SOL     H5    5  -0.151694  -0.156870   0.041714
-    1SOL     H6    6  -0.144823  -0.030880   0.125369
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029660  -0.131572   0.061420
-    0SOL     H2    2   0.015644  -0.086049   0.144447
-    0SOL     H3    3  -0.056260  -0.131534   0.019228
-    1SOL     O4    4  -0.020534   0.133289  -0.066741
-    1SOL     H5    5  -0.116102   0.128010  -0.067846
-    1SOL     H6    6   0.006828   0.061212  -0.010010
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039773  -0.025689   0.142127
-    0SOL     H2    2   0.020215  -0.020459   0.048573
-    0SOL     H3    3   0.127708   0.011215   0.150361
-    1SOL     O4    4  -0.042828   0.023813  -0.130352
-    1SOL     H5    5   0.008287   0.060004  -0.202739
-    1SOL     H6    6  -0.113658  -0.024576  -0.172827
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045036   0.076098   0.113601
-    0SOL     H2    2  -0.069016   0.020137   0.187463
-    0SOL     H3    3  -0.127700   0.092814   0.068327
-    1SOL     O4    4   0.051707  -0.070349  -0.121933
-    1SOL     H5    5   0.068182  -0.162989  -0.104367
-    1SOL     H6    6   0.031743  -0.032839  -0.036161
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056738   0.138176  -0.025498
-    0SOL     H2    2   0.010245   0.069934  -0.029819
-    0SOL     H3    3  -0.077256   0.145798   0.067686
-    1SOL     O4    4   0.053761  -0.132255   0.014368
-    1SOL     H5    5  -0.017004  -0.170943   0.065922
-    1SOL     H6    6   0.130621  -0.137802   0.071149
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125084   0.027800  -0.083059
-    0SOL     H2    2   0.075003   0.002317  -0.005568
-    0SOL     H3    3   0.076676   0.101832  -0.119642
-    1SOL     O4    4  -0.113135  -0.032979   0.079576
-    1SOL     H5    5  -0.172175   0.000560   0.012109
-    1SOL     H6    6  -0.162352  -0.023963   0.161176
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116654   0.004986   0.097444
-    0SOL     H2    2   0.165120   0.068804   0.045093
-    0SOL     H3    3   0.052941  -0.032505   0.036637
-    1SOL     O4    4  -0.112933  -0.011895  -0.092013
-    1SOL     H5    5  -0.102279   0.071395  -0.137965
-    1SOL     H6    6  -0.177606   0.006399  -0.023858
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035021   0.136095  -0.054686
-    0SOL     H2    2   0.032390   0.101305   0.034450
-    0SOL     H3    3   0.118958   0.106188  -0.089652
-    1SOL     O4    4  -0.035374  -0.135006   0.055405
-    1SOL     H5    5  -0.112657  -0.084952   0.081563
-    1SOL     H6    6  -0.038225  -0.135301  -0.040272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018756   0.106188   0.098438
-    0SOL     H2    2  -0.020787   0.163048   0.032366
-    0SOL     H3    3   0.109242   0.136651   0.105268
-    1SOL     O4    4  -0.026789  -0.110955  -0.100367
-    1SOL     H5    5   0.039552  -0.178757  -0.087558
-    1SOL     H6    6  -0.012022  -0.049109  -0.028818
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053764   0.006807   0.139682
-    0SOL     H2    2   0.034085   0.071616   0.207320
-    0SOL     H3    3  -0.020633   0.011441   0.079633
-    1SOL     O4    4  -0.045155  -0.015731  -0.139207
-    1SOL     H5    5  -0.139719  -0.005074  -0.128896
-    1SOL     H6    6  -0.014139   0.070546  -0.166714
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073849   0.059150   0.106302
-    0SOL     H2    2  -0.084984  -0.013755   0.167319
-    0SOL     H3    3  -0.113018   0.134129   0.151093
-    1SOL     O4    4   0.075698  -0.065309  -0.114214
-    1SOL     H5    5   0.046183  -0.016938  -0.037068
-    1SOL     H6    6   0.128022  -0.002154  -0.163570
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.117788  -0.063570  -0.067457
-    0SOL     H2    2  -0.177029   0.000167  -0.107337
-    0SOL     H3    3  -0.051792  -0.080359  -0.134724
-    1SOL     O4    4   0.121106   0.066369   0.071436
-    1SOL     H5    5   0.040808   0.029557   0.034566
-    1SOL     H6    6   0.140450   0.010890   0.147002
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061597  -0.051257   0.130393
-    0SOL     H2    2   0.017831  -0.136374   0.131781
-    0SOL     H3    3   0.122959  -0.057015   0.057154
-    1SOL     O4    4  -0.059234   0.062530  -0.126805
-    1SOL     H5    5  -0.051281  -0.000518  -0.055224
-    1SOL     H6    6  -0.127067   0.025952  -0.183577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061484  -0.137594   0.037233
-    0SOL     H2    2  -0.069386  -0.045479   0.012440
-    0SOL     H3    3  -0.083475  -0.185864  -0.042446
-    1SOL     O4    4   0.060423   0.131006  -0.026640
-    1SOL     H5    5   0.113113   0.107506  -0.103019
-    1SOL     H6    6   0.052959   0.226333  -0.031043
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009354  -0.051910   0.137705
-    0SOL     H2    2   0.103157  -0.063236   0.153034
-    0SOL     H3    3  -0.031106  -0.128134   0.179120
-    1SOL     O4    4  -0.005979   0.058354  -0.143122
-    1SOL     H5    5  -0.040621   0.080981  -0.056807
-    1SOL     H6    6  -0.076928   0.010113  -0.185564
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097857  -0.077765   0.092029
-    0SOL     H2    2  -0.028570  -0.022287   0.056198
-    0SOL     H3    3  -0.057970  -0.119772   0.168231
-    1SOL     O4    4   0.092571   0.073942  -0.088424
-    1SOL     H5    5   0.071901   0.166587  -0.100749
-    1SOL     H6    6   0.088500   0.036529  -0.176435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.086020   0.089264  -0.084997
-    0SOL     H2    2  -0.004532   0.104629  -0.111953
-    0SOL     H3    3   0.138545   0.118912  -0.159323
-    1SOL     O4    4  -0.085742  -0.094729   0.095457
-    1SOL     H5    5   0.000847  -0.078348   0.058090
-    1SOL     H6    6  -0.146335  -0.050800   0.035783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030504  -0.032677   0.143344
-    0SOL     H2    2   0.039068  -0.024639   0.208593
-    0SOL     H3    3  -0.062942  -0.122131   0.153744
-    1SOL     O4    4   0.033751   0.035401  -0.151635
-    1SOL     H5    5  -0.054556   0.047918  -0.186385
-    1SOL     H6    6   0.027110   0.060669  -0.059550
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118302   0.086403  -0.052078
-    0SOL     H2    2  -0.135963   0.179763  -0.063668
-    0SOL     H3    3  -0.025260   0.082138  -0.030007
-    1SOL     O4    4   0.110213  -0.086958   0.055073
-    1SOL     H5    5   0.196152  -0.076877   0.014144
-    1SOL     H6    6   0.085789  -0.177832   0.037531
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070544  -0.080459   0.107748
-    0SOL     H2    2  -0.130837  -0.144888   0.070654
-    0SOL     H3    3   0.003483  -0.132269   0.139341
-    1SOL     O4    4   0.069026   0.093921  -0.110004
-    1SOL     H5    5   0.010068   0.035810  -0.061948
-    1SOL     H6    6   0.151532   0.045646  -0.114959
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.141882  -0.033238  -0.062299
-    0SOL     H2    2   0.199355   0.033164  -0.100376
-    0SOL     H3    3   0.062650   0.014669  -0.038017
-    1SOL     O4    4  -0.135901   0.021513   0.062596
-    1SOL     H5    5  -0.135046   0.109134   0.024072
-    1SOL     H6    6  -0.218636   0.017181   0.110538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076351   0.139198   0.000010
-    0SOL     H2    2  -0.165192   0.174345   0.005867
-    0SOL     H3    3  -0.037975   0.156517   0.085973
-    1SOL     O4    4   0.084569  -0.145777  -0.004518
-    1SOL     H5    5   0.032509  -0.114246   0.069359
-    1SOL     H6    6   0.040092  -0.110981  -0.081806
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046915  -0.106213   0.122104
-    0SOL     H2    2  -0.017553  -0.040061   0.097001
-    0SOL     H3    3   0.130380  -0.059356   0.122738
-    1SOL     O4    4  -0.049090   0.093891  -0.118076
-    1SOL     H5    5  -0.114917   0.157281  -0.146553
-    1SOL     H6    6   0.034674   0.136843  -0.135427
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066861   0.147186  -0.014017
-    0SOL     H2    2  -0.116683   0.208160   0.040410
-    0SOL     H3    3   0.021330   0.148375   0.023175
-    1SOL     O4    4   0.066757  -0.147665   0.013933
-    1SOL     H5    5   0.083266  -0.128830  -0.078452
-    1SOL     H6    6   0.007295  -0.222669   0.012880
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126787  -0.070448   0.077775
-    0SOL     H2    2   0.097780  -0.122476   0.152702
-    0SOL     H3    3   0.099446  -0.121148   0.001327
-    1SOL     O4    4  -0.122804   0.078335  -0.083511
-    1SOL     H5    5  -0.090263   0.119009  -0.003205
-    1SOL     H6    6  -0.169531   0.000309  -0.053663
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053427   0.085967  -0.134923
-    0SOL     H2    2  -0.067340   0.029653  -0.211064
-    0SOL     H3    3  -0.056605   0.026365  -0.060091
-    1SOL     O4    4   0.049039  -0.074967   0.135316
-    1SOL     H5    5   0.061391  -0.146037   0.072396
-    1SOL     H6    6   0.127371  -0.077676   0.190262
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065638  -0.133128   0.071047
-    0SOL     H2    2   0.036832  -0.094146   0.153588
-    0SOL     H3    3   0.161205  -0.132873   0.076449
-    1SOL     O4    4  -0.070524   0.137760  -0.074990
-    1SOL     H5    5  -0.004520   0.098415  -0.132066
-    1SOL     H6    6  -0.117984   0.063204  -0.038232
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130306   0.046784   0.093182
-    0SOL     H2    2  -0.164349   0.061694   0.004972
-    0SOL     H3    3  -0.122661   0.134352   0.131075
-    1SOL     O4    4   0.135870  -0.054680  -0.095121
-    1SOL     H5    5   0.150713   0.017018  -0.033466
-    1SOL     H6    6   0.048812  -0.087739  -0.072976
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007728  -0.166715  -0.006463
-    0SOL     H2    2  -0.002368  -0.201925  -0.095310
-    0SOL     H3    3   0.065422  -0.207432   0.039943
-    1SOL     O4    4   0.004327   0.175662   0.003525
-    1SOL     H5    5  -0.007318   0.195637   0.096411
-    1SOL     H6    6  -0.001705   0.080261  -0.001446
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063158   0.103780  -0.127127
-    0SOL     H2    2   0.069391   0.056806  -0.210295
-    0SOL     H3    3  -0.028201   0.093425  -0.100505
-    1SOL     O4    4  -0.057132  -0.094681   0.127341
-    1SOL     H5    5  -0.120705  -0.162847   0.105566
-    1SOL     H6    6  -0.012412  -0.127594   0.205310
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066294  -0.001673   0.167346
-    0SOL     H2    2   0.025140  -0.029968   0.168584
-    0SOL     H3    3  -0.114490  -0.074518   0.206501
-    1SOL     O4    4   0.060628   0.005956  -0.175099
-    1SOL     H5    5   0.154806   0.000848  -0.158768
-    1SOL     H6    6   0.023560   0.036704  -0.092378
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072083  -0.058578  -0.156812
-    0SOL     H2    2   0.114006  -0.024126  -0.235665
-    0SOL     H3    3  -0.017501  -0.025082  -0.160673
-    1SOL     O4    4  -0.074315   0.051877   0.164225
-    1SOL     H5    5  -0.004209   0.004956   0.118993
-    1SOL     H6    6  -0.047313   0.143673   0.161641
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161965   0.004230   0.097266
-    0SOL     H2    2  -0.114853  -0.052838   0.157978
-    0SOL     H3    3  -0.190138  -0.053912   0.026639
-    1SOL     O4    4   0.156324   0.004151  -0.092300
-    1SOL     H5    5   0.165116  -0.078350  -0.140035
-    1SOL     H6    6   0.230009   0.057291  -0.122449
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008286   0.030883  -0.191598
-    0SOL     H2    2   0.042757  -0.047133  -0.235045
-    0SOL     H3    3  -0.086270   0.026463  -0.205809
-    1SOL     O4    4  -0.008277  -0.020507   0.193078
-    1SOL     H5    5   0.068958  -0.016519   0.249480
-    1SOL     H6    6  -0.018190  -0.113460   0.172495
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013326   0.161643  -0.116067
-    0SOL     H2    2   0.055730   0.214990  -0.155406
-    0SOL     H3    3  -0.002888   0.174584  -0.021802
-    1SOL     O4    4   0.006184  -0.162986   0.108116
-    1SOL     H5    5  -0.035124  -0.202628   0.184827
-    1SOL     H6    6   0.099770  -0.163691   0.128203
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.189051   0.080526  -0.065862
-    0SOL     H2    2  -0.223146   0.012456  -0.007842
-    0SOL     H3    3  -0.099760   0.052463  -0.085909
-    1SOL     O4    4   0.179091  -0.077100   0.064396
-    1SOL     H5    5   0.215704   0.010771   0.054375
-    1SOL     H6    6   0.255268  -0.135056   0.063754
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.154471  -0.143853   0.008816
-    0SOL     H2    2   0.188636  -0.232771  -0.000598
-    0SOL     H3    3   0.059434  -0.154857   0.011855
-    1SOL     O4    4  -0.145386   0.152729  -0.011348
-    1SOL     H5    5  -0.236198   0.166476  -0.038303
-    1SOL     H6    6  -0.151070   0.090856   0.061465
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073205  -0.196003  -0.053400
-    0SOL     H2    2  -0.017001  -0.166859   0.018392
-    0SOL     H3    3  -0.161108  -0.198438  -0.015591
-    1SOL     O4    4   0.074401   0.190178   0.041100
-    1SOL     H5    5   0.029845   0.179959   0.125199
-    1SOL     H6    6   0.127126   0.269408   0.051348
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105898   0.189491  -0.032896
-    0SOL     H2    2   0.194348   0.164773  -0.005913
-    0SOL     H3    3   0.056721   0.107374  -0.032052
-    1SOL     O4    4  -0.105117  -0.178766   0.026472
-    1SOL     H5    5  -0.123713  -0.272655   0.027655
-    1SOL     H6    6  -0.140593  -0.146230   0.109207
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039858  -0.190505  -0.112871
-    0SOL     H2    2  -0.101361  -0.245105  -0.063896
-    0SOL     H3    3   0.006070  -0.139988  -0.045782
-    1SOL     O4    4   0.035317   0.190276   0.102108
-    1SOL     H5    5   0.118768   0.147937   0.081966
-    1SOL     H6    6   0.049980   0.233378   0.186307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043439   0.120106   0.174402
-    0SOL     H2    2  -0.046254   0.214207   0.191703
-    0SOL     H3    3  -0.005544   0.082243   0.253728
-    1SOL     O4    4   0.036675  -0.119163  -0.177876
-    1SOL     H5    5   0.066800  -0.127846  -0.268316
-    1SOL     H6    6   0.089152  -0.182498  -0.128915
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011156   0.015913  -0.228397
-    0SOL     H2    2   0.034051   0.101360  -0.191833
-    0SOL     H3    3   0.032630  -0.046420  -0.159001
-    1SOL     O4    4  -0.012969  -0.015680   0.228326
-    1SOL     H5    5  -0.044263   0.038754   0.156077
-    1SOL     H6    6   0.002505  -0.101467   0.188784
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112479  -0.007068   0.204167
-    0SOL     H2    2   0.038219  -0.010831   0.143887
-    0SOL     H3    3   0.169627   0.060484   0.167656
-    1SOL     O4    4  -0.117210   0.006578  -0.202919
-    1SOL     H5    5  -0.123179  -0.031867  -0.115462
-    1SOL     H6    6  -0.024820  -0.001730  -0.226531
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003204  -0.228794  -0.012329
-    0SOL     H2    2   0.011495  -0.291975  -0.082716
-    0SOL     H3    3  -0.098205  -0.217360  -0.009795
-    1SOL     O4    4   0.010330   0.228415   0.021719
-    1SOL     H5    5   0.017949   0.322517   0.005939
-    1SOL     H6    6  -0.043026   0.196144  -0.050903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014549  -0.193431   0.148620
-    0SOL     H2    2   0.059280  -0.140400   0.082672
-    0SOL     H3    3   0.032751  -0.149076   0.231467
-    1SOL     O4    4  -0.022728   0.185421  -0.146205
-    1SOL     H5    5   0.062627   0.218121  -0.117788
-    1SOL     H6    6  -0.024237   0.201152  -0.240611
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035048  -0.091427   0.234086
-    0SOL     H2    2   0.097228  -0.154023   0.196968
-    0SOL     H3    3   0.016494  -0.125132   0.321733
-    1SOL     O4    4  -0.035169   0.094179  -0.231411
-    1SOL     H5    5  -0.123029   0.087350  -0.268778
-    1SOL     H6    6   0.011321   0.153781  -0.290137
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089595   0.248233   0.003524
-    0SOL     H2    2  -0.155407   0.199943  -0.046468
-    0SOL     H3    3  -0.013370   0.251747  -0.054266
-    1SOL     O4    4   0.090101  -0.252297   0.003233
-    1SOL     H5    5   0.122110  -0.195000  -0.066444
-    1SOL     H6    6   0.041482  -0.194144   0.061686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054794   0.221519   0.130039
-    0SOL     H2    2  -0.143741   0.255527   0.139738
-    0SOL     H3    3   0.001674   0.294041   0.156764
-    1SOL     O4    4   0.058479  -0.229979  -0.126857
-    1SOL     H5    5   0.043258  -0.136343  -0.139621
-    1SOL     H6    6   0.037002  -0.269520  -0.211342
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033539   0.291768   0.144851
-    0SOL     H2    2   0.024746   0.360616   0.078935
-    0SOL     H3    3   0.113225   0.244872   0.120088
-    1SOL     O4    4  -0.041855  -0.289514  -0.135992
-    1SOL     H5    5  -0.049746  -0.378267  -0.170964
-    1SOL     H6    6   0.042155  -0.257973  -0.169307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.174083   0.169780   0.257570
-    0SOL     H2    2   0.184007   0.195268   0.349299
-    0SOL     H3    3   0.079956   0.175455   0.241133
-    1SOL     O4    4  -0.169327  -0.164535  -0.261518
-    1SOL     H5    5  -0.188838  -0.230410  -0.194869
-    1SOL     H6    6  -0.148065  -0.215237  -0.339874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074247   0.193199   0.298097
-    0SOL     H2    2  -0.007414   0.195095   0.248194
-    0SOL     H3    3   0.087790   0.100654   0.318451
-    1SOL     O4    4  -0.067708  -0.183152  -0.299155
-    1SOL     H5    5  -0.069577  -0.274959  -0.326180
-    1SOL     H6    6  -0.115351  -0.181595  -0.216149
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038517   0.361645  -0.135228
-    0SOL     H2    2   0.034539   0.323568  -0.086492
-    0SOL     H3    3  -0.116606   0.331934  -0.088518
-    1SOL     O4    4   0.038967  -0.363966   0.127006
-    1SOL     H5    5  -0.036665  -0.311992   0.154225
-    1SOL     H6    6   0.114563  -0.309079   0.147862
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012153  -0.361418   0.153651
-    0SOL     H2    2   0.080034  -0.373220   0.087204
-    0SOL     H3    3   0.056797  -0.377748   0.236732
-    1SOL     O4    4  -0.021697   0.365852  -0.160230
-    1SOL     H5    5  -0.009735   0.271972  -0.145888
-    1SOL     H6    6   0.019706   0.407171  -0.084462
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.008434   0.101071   0.393439
-    0SOL     H2    2   0.054734   0.036534   0.425176
-    0SOL     H3    3  -0.092846   0.070265   0.426424
-    1SOL     O4    4   0.006210  -0.095213  -0.402865
-    1SOL     H5    5   0.048547  -0.023052  -0.356360
-    1SOL     H6    6   0.023812  -0.172216  -0.348800
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.109125   0.438100  -0.066880
-    0SOL     H2    2  -0.071295   0.352522  -0.087070
-    0SOL     H3    3  -0.129073   0.476291  -0.152354
-    1SOL     O4    4   0.108625  -0.438556   0.066421
-    1SOL     H5    5   0.041477  -0.457657   0.131908
-    1SOL     H6    6   0.165408  -0.373943   0.108412
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076088   0.222943  -0.412199
-    0SOL     H2    2  -0.159966   0.228032  -0.366364
-    0SOL     H3    3  -0.023716   0.162374  -0.359750
-    1SOL     O4    4   0.075680  -0.226003   0.408940
-    1SOL     H5    5   0.029595  -0.142487   0.416908
-    1SOL     H6    6   0.156743  -0.204382   0.362858
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.331793  -0.109650   0.380361
-    0SOL     H2    2  -0.421570  -0.142516   0.375653
-    0SOL     H3    3  -0.277505  -0.184506   0.355628
-    1SOL     O4    4   0.337483   0.120336  -0.377954
-    1SOL     H5    5   0.242032   0.115096  -0.382832
-    1SOL     H6    6   0.367111   0.030098  -0.389851
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.373816   0.187950   0.351345
-    0SOL     H2    2   0.405319   0.244036   0.280463
-    0SOL     H3    3   0.299912   0.235867   0.388822
-    1SOL     O4    4  -0.371691  -0.192965  -0.356195
-    1SOL     H5    5  -0.368531  -0.271492  -0.301552
-    1SOL     H6    6  -0.371225  -0.120321  -0.293867
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.556032   0.621791   0.114314
-    0SOL     H2    2  -0.484373   0.650290   0.057612
-    0SOL     H3    3  -0.635051   0.636391   0.062303
-    1SOL     O4    4   0.559203  -0.629753  -0.105500
-    1SOL     H5    5   0.466674  -0.610694  -0.120909
-    1SOL     H6    6   0.605617  -0.554358  -0.141882
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/350K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -1.380146   0.030352  -0.149266
-    0SOL     H2    2  -1.325150   0.093644  -0.103095
-    0SOL     H3    3  -1.342757  -0.054843  -0.126768
-    1SOL     O4    4   1.370157  -0.026854   0.149349
-    1SOL     H5    5   1.449392  -0.075190   0.172751
-    1SOL     H6    6   1.374587  -0.018171   0.054126
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077376  -0.076356  -0.076935
-    0SOL     H2    2  -0.021820  -0.029545  -0.014609
-    0SOL     H3    3  -0.085884  -0.164313  -0.040146
-    1SOL     O4    4   0.072975   0.072711   0.067896
-    1SOL     H5    5   0.012522   0.144907   0.085089
-    1SOL     H6    6   0.156970   0.103015   0.102377
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003736   0.104016  -0.072127
-    0SOL     H2    2  -0.082868   0.128880  -0.104436
-    0SOL     H3    3   0.028165   0.174562  -0.012220
-    1SOL     O4    4   0.004930  -0.111646   0.073588
-    1SOL     H5    5   0.003991  -0.048689   0.001491
-    1SOL     H6    6  -0.087421  -0.130764   0.089958
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102261   0.087400  -0.007204
-    0SOL     H2    2  -0.154457   0.064683  -0.084157
-    0SOL     H3    3  -0.013550   0.058887  -0.029106
-    1SOL     O4    4   0.094900  -0.087043   0.011533
-    1SOL     H5    5   0.160354  -0.042538  -0.042294
-    1SOL     H6    6   0.125401  -0.074788   0.101432
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058569  -0.093362  -0.062548
-    0SOL     H2    2  -0.079203  -0.183807  -0.038964
-    0SOL     H3    3  -0.042724  -0.096183  -0.156905
-    1SOL     O4    4   0.058854   0.101353   0.073742
-    1SOL     H5    5   0.012416   0.027431   0.034481
-    1SOL     H6    6   0.106852   0.140917   0.000987
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007880   0.063086  -0.115117
-    0SOL     H2    2   0.090968   0.099406  -0.084467
-    0SOL     H3    3   0.028217   0.025647  -0.200832
-    1SOL     O4    4  -0.018555  -0.060740   0.123745
-    1SOL     H5    5   0.056589  -0.119740   0.129639
-    1SOL     H6    6  -0.024871  -0.039145   0.030707
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000324  -0.081175   0.100821
-    0SOL     H2    2   0.055174  -0.158948   0.095008
-    0SOL     H3    3  -0.020811  -0.073221   0.193984
-    1SOL     O4    4  -0.000459   0.082578  -0.111813
-    1SOL     H5    5   0.025644   0.043465  -0.028439
-    1SOL     H6    6  -0.045748   0.163274  -0.087330
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094097   0.031482  -0.087172
-    0SOL     H2    2  -0.160783   0.085082  -0.044250
-    0SOL     H3    3  -0.058526   0.087877  -0.155850
-    1SOL     O4    4   0.097364  -0.044472   0.091178
-    1SOL     H5    5   0.130689   0.039220   0.123540
-    1SOL     H6    6   0.045754  -0.021492   0.013909
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078169   0.018793  -0.103659
-    0SOL     H2    2   0.041580   0.001979  -0.190497
-    0SOL     H3    3   0.127715   0.100060  -0.113816
-    1SOL     O4    4  -0.078151  -0.026475   0.115577
-    1SOL     H5    5  -0.153473   0.027990   0.092719
-    1SOL     H6    6  -0.018574  -0.017473   0.041201
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113917   0.074126  -0.039899
-    0SOL     H2    2  -0.168427   0.014305   0.011213
-    0SOL     H3    3  -0.024881   0.058131  -0.008608
-    1SOL     O4    4   0.110541  -0.070615   0.029010
-    1SOL     H5    5   0.067785  -0.110656   0.104713
-    1SOL     H6    6   0.179304  -0.015638   0.066581
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122851  -0.053884   0.014995
-    0SOL     H2    2   0.189883   0.004627   0.050286
-    0SOL     H3    3   0.089037  -0.100516   0.091443
-    1SOL     O4    4  -0.128069   0.056186  -0.017028
-    1SOL     H5    5  -0.165485   0.020186  -0.097442
-    1SOL     H6    6  -0.034465   0.037259  -0.023541
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045692   0.093588   0.083361
-    0SOL     H2    2   0.115034   0.159573   0.083416
-    0SOL     H3    3  -0.034863   0.143439   0.069647
-    1SOL     O4    4  -0.043170  -0.106359  -0.083369
-    1SOL     H5    5  -0.018699  -0.045108  -0.014002
-    1SOL     H6    6  -0.104090  -0.057170  -0.138428
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022858   0.140347   0.000628
-    0SOL     H2    2  -0.020506   0.046446  -0.017797
-    0SOL     H3    3  -0.062395   0.146762   0.087564
-    1SOL     O4    4   0.025747  -0.130327  -0.009144
-    1SOL     H5    5  -0.053790  -0.174405   0.020743
-    1SOL     H6    6   0.096057  -0.170452   0.041931
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064722  -0.119739   0.041986
-    0SOL     H2    2  -0.084519  -0.160155  -0.042494
-    0SOL     H3    3  -0.031660  -0.032696   0.019789
-    1SOL     O4    4   0.062609   0.111255  -0.038995
-    1SOL     H5    5   0.124952   0.125544   0.032219
-    1SOL     H6    6   0.022529   0.196983  -0.053367
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121459   0.034136  -0.036428
-    0SOL     H2    2   0.208416  -0.003192  -0.022028
-    0SOL     H3    3   0.135987   0.105602  -0.098427
-    1SOL     O4    4  -0.128720  -0.039167   0.045691
-    1SOL     H5    5  -0.192150  -0.012142  -0.020707
-    1SOL     H6    6  -0.043500  -0.018697   0.007208
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028351  -0.105453  -0.077092
-    0SOL     H2    2   0.031086  -0.177494  -0.098055
-    0SOL     H3    3  -0.050407  -0.067068  -0.161960
-    1SOL     O4    4   0.023590   0.111323   0.087533
-    1SOL     H5    5  -0.018586   0.045863   0.031869
-    1SOL     H6    6   0.116363   0.106207   0.064524
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024571   0.083687  -0.114227
-    0SOL     H2    2  -0.014542   0.046374  -0.026652
-    0SOL     H3    3   0.064986   0.093264  -0.146633
-    1SOL     O4    4   0.019209  -0.075258   0.108636
-    1SOL     H5    5  -0.040937  -0.109704   0.174654
-    1SOL     H6    6   0.070417  -0.151211   0.080864
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-Generated by ForceBalance from calcs/cluster-02/VLE/360K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.090137  -0.022418   0.107399
-    0SOL     H2    2  -0.055174   0.005414   0.022751
-    0SOL     H3    3  -0.183897  -0.034007   0.092001
-    1SOL     O4    4   0.087285   0.024595  -0.101325
-    1SOL     H5    5   0.105631  -0.053944  -0.152874
-    1SOL     H6    6   0.171427   0.047651  -0.061944
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100636  -0.087439   0.027334
-    0SOL     H2    2  -0.111185  -0.175568   0.063170
-    0SOL     H3    3  -0.123524  -0.096257  -0.065190
-    1SOL     O4    4   0.107204   0.096010  -0.021066
-    1SOL     H5    5   0.076359   0.008992   0.004206
-    1SOL     H6    6   0.054388   0.118920  -0.097538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058585   0.070052  -0.102630
-    0SOL     H2    2   0.024119   0.061419  -0.150041
-    0SOL     H3    3  -0.075545   0.164242  -0.100913
-    1SOL     O4    4   0.059873  -0.073062   0.109259
-    1SOL     H5    5   0.015429  -0.157578   0.102623
-    1SOL     H6    6   0.013204  -0.016509   0.047727
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063348   0.058129  -0.116795
-    0SOL     H2    2  -0.047886   0.032702  -0.025819
-    0SOL     H3    3  -0.007641   0.134827  -0.130077
-    1SOL     O4    4   0.055097  -0.055952   0.109481
-    1SOL     H5    5   0.121197  -0.108194   0.064051
-    1SOL     H6    6   0.047613  -0.096549   0.195841
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074544   0.086521   0.090565
-    0SOL     H2    2   0.019503   0.042578   0.025744
-    0SOL     H3    3   0.122550   0.015599   0.133319
-    1SOL     O4    4  -0.076084  -0.073439  -0.087167
-    1SOL     H5    5   0.002533  -0.095351  -0.137182
-    1SOL     H6    6  -0.121502  -0.156959  -0.076036
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024098  -0.046180  -0.137283
-    0SOL     H2    2  -0.112277  -0.008953  -0.136272
-    0SOL     H3    3   0.020139  -0.005119  -0.062990
-    1SOL     O4    4   0.022023   0.038820   0.128672
-    1SOL     H5    5   0.015184   0.124663   0.170464
-    1SOL     H6    6   0.105978   0.004084   0.158795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007051   0.015148  -0.142631
-    0SOL     H2    2  -0.052683   0.085328  -0.189052
-    0SOL     H3    3  -0.039388   0.020860  -0.052720
-    1SOL     O4    4   0.016969  -0.022463   0.137884
-    1SOL     H5    5  -0.000948   0.071340   0.144382
-    1SOL     H6    6  -0.062091  -0.064405   0.171839
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053392  -0.122687   0.057002
-    0SOL     H2    2   0.147845  -0.132643   0.045092
-    0SOL     H3    3   0.036424  -0.030387   0.038157
-    1SOL     O4    4  -0.058245   0.114448  -0.049417
-    1SOL     H5    5  -0.078687   0.082643  -0.137353
-    1SOL     H6    6  -0.035440   0.206568  -0.061913
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013614   0.051493   0.126342
-    0SOL     H2    2   0.040528   0.014193   0.210288
-    0SOL     H3    3   0.064091   0.132469   0.118775
-    1SOL     O4    4  -0.013318  -0.055518  -0.135585
-    1SOL     H5    5  -0.105309  -0.032216  -0.148113
-    1SOL     H6    6  -0.000614  -0.052960  -0.040746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043660   0.074119  -0.109914
-    0SOL     H2    2  -0.007978   0.015654  -0.176779
-    0SOL     H3    3  -0.000606   0.158083  -0.126000
-    1SOL     O4    4   0.034058  -0.078750   0.118369
-    1SOL     H5    5   0.128407  -0.081936   0.134195
-    1SOL     H6    6   0.024957  -0.028055   0.037687
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001906   0.139798  -0.044260
-    0SOL     H2    2  -0.051250   0.158201  -0.121707
-    0SOL     H3    3  -0.000001   0.044459  -0.035945
-    1SOL     O4    4   0.003159  -0.132547   0.055016
-    1SOL     H5    5   0.062572  -0.169658  -0.010216
-    1SOL     H6    6  -0.083861  -0.141785   0.016230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126878  -0.077545  -0.005430
-    0SOL     H2    2   0.055545  -0.016647   0.013681
-    0SOL     H3    3   0.091080  -0.163795   0.015590
-    1SOL     O4    4  -0.114707   0.081406   0.002375
-    1SOL     H5    5  -0.175634   0.056439  -0.067101
-    1SOL     H6    6  -0.162253   0.063620   0.083525
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.141418  -0.017965  -0.044901
-    0SOL     H2    2  -0.046819  -0.007988  -0.034227
-    0SOL     H3    3  -0.164050  -0.092763   0.010375
-    1SOL     O4    4   0.138323   0.027496   0.036738
-    1SOL     H5    5   0.095014   0.026578   0.122095
-    1SOL     H6    6   0.164309  -0.063448   0.022032
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101897   0.084779  -0.056773
-    0SOL     H2    2  -0.051056   0.113479  -0.132627
-    0SOL     H3    3  -0.092865   0.156019   0.006518
-    1SOL     O4    4   0.098147  -0.095649   0.061236
-    1SOL     H5    5   0.175230  -0.054990   0.021644
-    1SOL     H6    6   0.025391  -0.038807   0.035980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019880   0.095429   0.116582
-    0SOL     H2    2   0.109950   0.070012   0.096494
-    0SOL     H3    3  -0.032637   0.053652   0.048326
-    1SOL     O4    4  -0.021919  -0.088300  -0.105710
-    1SOL     H5    5   0.049304  -0.134665  -0.149754
-    1SOL     H6    6  -0.097115  -0.098913  -0.163980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046314   0.103027  -0.082654
-    0SOL     H2    2  -0.049497   0.101574  -0.178310
-    0SOL     H3    3  -0.038217   0.195751  -0.060316
-    1SOL     O4    4   0.046548  -0.108558   0.093624
-    1SOL     H5    5   0.079355  -0.168646   0.026724
-    1SOL     H6    6   0.002457  -0.039422   0.044243
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055959   0.106403   0.073030
-    0SOL     H2    2   0.075075   0.192520   0.035873
-    0SOL     H3    3   0.119330   0.096306   0.144055
-    1SOL     O4    4  -0.064383  -0.113566  -0.070280
-    1SOL     H5    5  -0.062500  -0.127946  -0.164894
-    1SOL     H6    6   0.001195  -0.045525  -0.055037
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010182  -0.027662  -0.140812
-    0SOL     H2    2   0.067364  -0.074605  -0.110067
-    0SOL     H3    3  -0.043120  -0.080672  -0.213388
-    1SOL     O4    4   0.014077   0.035655   0.142360
-    1SOL     H5    5  -0.038657   0.036338   0.222241
-    1SOL     H6    6  -0.043773  -0.001441   0.075730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108173  -0.016036  -0.105842
-    0SOL     H2    2  -0.054385  -0.008759  -0.184685
-    0SOL     H3    3  -0.045010  -0.022989  -0.034257
-    1SOL     O4    4   0.097223   0.020069   0.102652
-    1SOL     H5    5   0.069660  -0.028184   0.180589
-    1SOL     H6    6   0.188807  -0.004808   0.090165
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122049   0.003673   0.073482
-    0SOL     H2    2   0.078698   0.002433   0.158813
-    0SOL     H3    3   0.213639   0.023112   0.093374
-    1SOL     O4    4  -0.126079   0.001274  -0.081153
-    1SOL     H5    5  -0.056713  -0.030424  -0.023309
-    1SOL     H6    6  -0.170607  -0.078051  -0.110937
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.005811  -0.055292   0.131399
-    0SOL     H2    2  -0.072826  -0.092909   0.170939
-    0SOL     H3    3   0.078154  -0.092208   0.182054
-    1SOL     O4    4  -0.002012   0.063099  -0.141226
-    1SOL     H5    5   0.035031   0.007918  -0.072342
-    1SOL     H6    6  -0.096704   0.056682  -0.128793
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037262  -0.089805  -0.119788
-    0SOL     H2    2  -0.089742  -0.018376  -0.155928
-    0SOL     H3    3   0.017509  -0.048080  -0.053293
-    1SOL     O4    4   0.041150   0.083730   0.113299
-    1SOL     H5    5   0.047371   0.040580   0.198515
-    1SOL     H6    6  -0.041043   0.132640   0.117108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038903   0.109209   0.085291
-    0SOL     H2    2   0.055609   0.191004   0.038465
-    0SOL     H3    3   0.080376   0.121535   0.170675
-    1SOL     O4    4  -0.039554  -0.120602  -0.089881
-    1SOL     H5    5  -0.126365  -0.084554  -0.107957
-    1SOL     H6    6   0.000233  -0.058115  -0.029263
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093279  -0.065831  -0.104923
-    0SOL     H2    2  -0.154850   0.004514  -0.125490
-    0SOL     H3    3  -0.016176  -0.020884  -0.070321
-    1SOL     O4    4   0.092903   0.053072   0.101123
-    1SOL     H5    5   0.013560   0.089362   0.140494
-    1SOL     H6    6   0.159469   0.120486   0.114785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108828  -0.102585   0.002495
-    0SOL     H2    2   0.114140  -0.114631  -0.092315
-    0SOL     H3    3   0.072702  -0.184985   0.035169
-    1SOL     O4    4  -0.110749   0.109592  -0.004828
-    1SOL     H5    5  -0.130735   0.137581   0.084501
-    1SOL     H6    6  -0.033748   0.053464   0.004271
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028158  -0.031705  -0.142287
-    0SOL     H2    2   0.108732   0.010549  -0.172031
-    0SOL     H3    3   0.028491  -0.117119  -0.185493
-    1SOL     O4    4  -0.028968   0.037547   0.150837
-    1SOL     H5    5  -0.108486  -0.013889   0.164746
-    1SOL     H6    6  -0.009170   0.026455   0.057846
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140749  -0.058876  -0.015102
-    0SOL     H2    2  -0.117295  -0.039893  -0.105942
-    0SOL     H3    3  -0.198101   0.013366   0.010475
-    1SOL     O4    4   0.148111   0.056583   0.020627
-    1SOL     H5    5   0.070994   0.089748  -0.025366
-    1SOL     H6    6   0.130005  -0.036477   0.033828
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012775  -0.048198  -0.151084
-    0SOL     H2    2  -0.036054   0.042671  -0.132024
-    0SOL     H3    3   0.067519  -0.063365  -0.101233
-    1SOL     O4    4   0.007539   0.048426   0.151659
-    1SOL     H5    5   0.096269   0.020712   0.128829
-    1SOL     H6    6  -0.049400  -0.007128   0.098423
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110442   0.063151  -0.094340
-    0SOL     H2    2  -0.192486   0.014364  -0.087208
-    0SOL     H3    3  -0.066305   0.048237  -0.010723
-    1SOL     O4    4   0.108162  -0.062782   0.085281
-    1SOL     H5    5   0.095769  -0.035832   0.176289
-    1SOL     H6    6   0.196775  -0.033847   0.063538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016498  -0.125952  -0.097774
-    0SOL     H2    2  -0.027047  -0.031669  -0.085055
-    0SOL     H3    3  -0.104751  -0.157585  -0.117087
-    1SOL     O4    4   0.017400   0.123588   0.094783
-    1SOL     H5    5   0.023041   0.090670   0.184488
-    1SOL     H6    6   0.108408   0.130133   0.065854
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044035   0.137880   0.051678
-    0SOL     H2    2  -0.039297   0.184751   0.056284
-    0SOL     H3    3   0.108461   0.200090   0.085463
-    1SOL     O4    4  -0.043801  -0.147606  -0.058873
-    1SOL     H5    5   0.022923  -0.081118  -0.041856
-    1SOL     H6    6  -0.099764  -0.145864   0.018764
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028838   0.085509  -0.131250
-    0SOL     H2    2  -0.024629   0.009158  -0.109478
-    0SOL     H3    3   0.053221   0.072392  -0.222878
-    1SOL     O4    4  -0.032611  -0.077051   0.137713
-    1SOL     H5    5  -0.018331  -0.170603   0.123344
-    1SOL     H6    6   0.051015  -0.036275   0.115213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.049897   0.150334   0.015744
-    0SOL     H2    2   0.126665   0.193237   0.053538
-    0SOL     H3    3   0.078229   0.122934  -0.071485
-    1SOL     O4    4  -0.057930  -0.157743  -0.012419
-    1SOL     H5    5   0.016961  -0.120884   0.034432
-    1SOL     H6    6  -0.084069  -0.089035  -0.073723
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003293  -0.146682   0.073352
-    0SOL     H2    2   0.063798  -0.076091   0.096119
-    0SOL     H3    3   0.046522  -0.193170   0.001711
-    1SOL     O4    4  -0.004076   0.147297  -0.069309
-    1SOL     H5    5  -0.032956   0.066361  -0.111470
-    1SOL     H6    6  -0.085179   0.192183  -0.045436
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041352   0.088195   0.129647
-    0SOL     H2    2   0.033455   0.120835   0.040011
-    0SOL     H3    3   0.105582   0.146090   0.170698
-    1SOL     O4    4  -0.042309  -0.099275  -0.124736
-    1SOL     H5    5  -0.133796  -0.071157  -0.123429
-    1SOL     H6    6   0.005062  -0.025094  -0.162360
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139555   0.072979  -0.034143
-    0SOL     H2    2  -0.225088   0.030801  -0.042362
-    0SOL     H3    3  -0.133602   0.130268  -0.110595
-    1SOL     O4    4   0.147150  -0.078901   0.043126
-    1SOL     H5    5   0.190681  -0.023082  -0.021307
-    1SOL     H6    6   0.055296  -0.052168   0.039879
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106311  -0.034361  -0.124103
-    0SOL     H2    2  -0.154082   0.025975  -0.181023
-    0SOL     H3    3  -0.016384  -0.001570  -0.124459
-    1SOL     O4    4   0.100082   0.024533   0.123170
-    1SOL     H5    5   0.069434   0.072633   0.200043
-    1SOL     H6    6   0.191978   0.049752   0.114146
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109561   0.009310  -0.120128
-    0SOL     H2    2   0.045278  -0.025532  -0.181902
-    0SOL     H3    3   0.163485   0.068583  -0.172485
-    1SOL     O4    4  -0.114251  -0.010726   0.124088
-    1SOL     H5    5  -0.094173  -0.027320   0.216196
-    1SOL     H6    6  -0.029116   0.005767   0.083562
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.115739   0.007098  -0.122694
-    0SOL     H2    2   0.061977  -0.066407  -0.093215
-    0SOL     H3    3   0.156651  -0.023965  -0.203463
-    1SOL     O4    4  -0.110542  -0.005408   0.123010
-    1SOL     H5    5  -0.195240   0.011398   0.081703
-    1SOL     H6    6  -0.113596   0.043950   0.204966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.125489  -0.092790   0.082471
-    0SOL     H2    2  -0.101809  -0.055010   0.167173
-    0SOL     H3    3  -0.062911  -0.054697   0.020866
-    1SOL     O4    4   0.115684   0.084830  -0.083425
-    1SOL     H5    5   0.144602   0.139976  -0.156123
-    1SOL     H6    6   0.179870   0.100744  -0.014222
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109071   0.005292  -0.137262
-    0SOL     H2    2   0.055694   0.076392  -0.101794
-    0SOL     H3    3   0.055846  -0.031889  -0.207596
-    1SOL     O4    4  -0.101102  -0.010076   0.145271
-    1SOL     H5    5  -0.180632  -0.024868   0.094099
-    1SOL     H6    6  -0.049743   0.051190   0.092630
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.129611  -0.118472   0.012247
-    0SOL     H2    2  -0.104914  -0.131302  -0.079338
-    0SOL     H3    3  -0.086407  -0.189960   0.058994
-    1SOL     O4    4   0.123580   0.121436  -0.004506
-    1SOL     H5    5   0.103785   0.086253  -0.091297
-    1SOL     H6    6   0.185831   0.192265  -0.020950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074603  -0.152994   0.034752
-    0SOL     H2    2  -0.086999  -0.204980   0.114164
-    0SOL     H3    3  -0.151139  -0.095604   0.031448
-    1SOL     O4    4   0.081331   0.156033  -0.033290
-    1SOL     H5    5   0.139373   0.127664  -0.103920
-    1SOL     H6    6  -0.006019   0.129160  -0.061754
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032895   0.171094   0.042720
-    0SOL     H2    2  -0.006681   0.208779   0.126713
-    0SOL     H3    3   0.049646   0.152268  -0.001944
-    1SOL     O4    4   0.021205  -0.175445  -0.047018
-    1SOL     H5    5   0.063085  -0.174779   0.039051
-    1SOL     H6    6   0.073899  -0.115459  -0.099813
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127266  -0.086621  -0.104902
-    0SOL     H2    2  -0.126539  -0.013298  -0.043376
-    0SOL     H3    3  -0.038340  -0.121855  -0.101300
-    1SOL     O4    4   0.120008   0.088089   0.096542
-    1SOL     H5    5   0.119677   0.115739   0.188181
-    1SOL     H6    6   0.163524   0.002837   0.097354
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.174747  -0.042926  -0.010840
-    0SOL     H2    2  -0.100950  -0.090880  -0.048479
-    0SOL     H3    3  -0.252235  -0.088869  -0.043202
-    1SOL     O4    4   0.179563   0.043898   0.016172
-    1SOL     H5    5   0.103567   0.066735   0.069701
-    1SOL     H6    6   0.169204   0.095793  -0.063589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026615   0.172152   0.056718
-    0SOL     H2    2  -0.026418   0.175899   0.152364
-    0SOL     H3    3  -0.118085   0.186323   0.032333
-    1SOL     O4    4   0.032712  -0.166578  -0.061021
-    1SOL     H5    5   0.008898  -0.210977   0.020366
-    1SOL     H6    6   0.027501  -0.234783  -0.127978
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.069156   0.142226  -0.103550
-    0SOL     H2    2  -0.156116   0.173702  -0.128238
-    0SOL     H3    3  -0.082312   0.099148  -0.019089
-    1SOL     O4    4   0.072073  -0.143742   0.106686
-    1SOL     H5    5   0.128002  -0.070220   0.081613
-    1SOL     H6    6   0.051164  -0.187267   0.024037
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.182224  -0.008227   0.035428
-    0SOL     H2    2   0.168477   0.082409   0.007888
-    0SOL     H3    3   0.254964  -0.003684   0.097481
-    1SOL     O4    4  -0.180303  -0.000512  -0.036681
-    1SOL     H5    5  -0.268699  -0.030673  -0.015732
-    1SOL     H6    6  -0.192798   0.087340  -0.072572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.182863  -0.019613  -0.077908
-    0SOL     H2    2   0.147683   0.068760  -0.067192
-    0SOL     H3    3   0.106963  -0.072965  -0.101469
-    1SOL     O4    4  -0.171744   0.021325   0.075198
-    1SOL     H5    5  -0.168746  -0.062242   0.121780
-    1SOL     H6    6  -0.261959   0.051502   0.085826
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039622   0.034285   0.190908
-    0SOL     H2    2  -0.051636  -0.046817   0.141507
-    0SOL     H3    3   0.013553   0.008804   0.266309
-    1SOL     O4    4   0.037676  -0.029817  -0.185785
-    1SOL     H5    5  -0.035758   0.009697  -0.232780
-    1SOL     H6    6   0.105391  -0.041385  -0.252442
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.138994  -0.038250   0.135591
-    0SOL     H2    2   0.139152  -0.048801   0.040454
-    0SOL     H3    3   0.177171  -0.119499   0.168811
-    1SOL     O4    4  -0.140296   0.048728  -0.127912
-    1SOL     H5    5  -0.132820  -0.044844  -0.109182
-    1SOL     H6    6  -0.164787   0.052817  -0.220356
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061893   0.071773   0.176377
-    0SOL     H2    2   0.121914   0.121924   0.121199
-    0SOL     H3    3   0.107516  -0.010799   0.192586
-    1SOL     O4    4  -0.069530  -0.076480  -0.174148
-    1SOL     H5    5  -0.102226  -0.010823  -0.112646
-    1SOL     H6    6  -0.013634  -0.027289  -0.234299
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.098485  -0.021369   0.176272
-    0SOL     H2    2   0.061029  -0.102652   0.210220
-    0SOL     H3    3   0.173414  -0.049552   0.123797
-    1SOL     O4    4  -0.098991   0.021592  -0.175953
-    1SOL     H5    5  -0.122575   0.086942  -0.241797
-    1SOL     H6    6  -0.106375   0.067870  -0.092489
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075220  -0.111433   0.163073
-    0SOL     H2    2   0.126506  -0.134946   0.085747
-    0SOL     H3    3   0.077659  -0.015771   0.165310
-    1SOL     O4    4  -0.079846   0.102896  -0.154166
-    1SOL     H5    5  -0.005376   0.162922  -0.150503
-    1SOL     H6    6  -0.122581   0.122730  -0.237488
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028813   0.190358   0.126879
-    0SOL     H2    2   0.003801   0.098889   0.139923
-    0SOL     H3    3   0.008529   0.207916   0.034995
-    1SOL     O4    4  -0.024027  -0.191359  -0.117968
-    1SOL     H5    5   0.030127  -0.129670  -0.167203
-    1SOL     H6    6  -0.113896  -0.169091  -0.142260
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031984  -0.217671   0.054636
-    0SOL     H2    2  -0.123077  -0.204865   0.081104
-    0SOL     H3    3  -0.034233  -0.294137  -0.002897
-    1SOL     O4    4   0.034681   0.218529  -0.058989
-    1SOL     H5    5   0.122974   0.202100  -0.025871
-    1SOL     H6    6  -0.003401   0.280040   0.003689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.093037  -0.186767   0.101109
-    0SOL     H2    2   0.174333  -0.166525   0.147408
-    0SOL     H3    3   0.040688  -0.235504   0.164722
-    1SOL     O4    4  -0.090577   0.182855  -0.107520
-    1SOL     H5    5  -0.121836   0.234720  -0.033390
-    1SOL     H6    6  -0.128710   0.225372  -0.184335
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072867   0.187819  -0.119219
-    0SOL     H2    2  -0.001322   0.245038  -0.099614
-    0SOL     H3    3   0.148754   0.233735  -0.083231
-    1SOL     O4    4  -0.070176  -0.192776   0.122327
-    1SOL     H5    5  -0.069036  -0.276285   0.075558
-    1SOL     H6    6  -0.117676  -0.133371   0.064213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050413  -0.201951   0.127625
-    0SOL     H2    2  -0.055367  -0.111659   0.096238
-    0SOL     H3    3   0.039640  -0.211694   0.158574
-    1SOL     O4    4   0.043489   0.200670  -0.121849
-    1SOL     H5    5   0.006280   0.124728  -0.166690
-    1SOL     H6    6   0.115200   0.229211  -0.178462
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051205  -0.195956   0.149067
-    0SOL     H2    2  -0.015517  -0.124299   0.096589
-    0SOL     H3    3  -0.066233  -0.266563   0.086209
-    1SOL     O4    4   0.049739   0.199773  -0.137291
-    1SOL     H5    5  -0.023043   0.151790  -0.176822
-    1SOL     H6    6   0.125554   0.176975  -0.191093
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.107207  -0.141893  -0.182904
-    0SOL     H2    2   0.090611  -0.190227  -0.263840
-    0SOL     H3    3   0.151193  -0.204950  -0.125883
-    1SOL     O4    4  -0.103732   0.148535   0.179529
-    1SOL     H5    5  -0.189679   0.190558   0.182609
-    1SOL     H6    6  -0.100958   0.093792   0.258001
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097916   0.017960  -0.237654
-    0SOL     H2    2  -0.145722   0.090924  -0.198245
-    0SOL     H3    3  -0.050185   0.057227  -0.310744
-    1SOL     O4    4   0.094873  -0.026656   0.234587
-    1SOL     H5    5   0.089669   0.061008   0.272669
-    1SOL     H6    6   0.153982  -0.074577   0.292656
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076796  -0.107825  -0.301903
-    0SOL     H2    2  -0.003474  -0.132040  -0.245336
-    0SOL     H3    3  -0.148112  -0.087510  -0.241375
-    1SOL     O4    4   0.076875   0.115350   0.296557
-    1SOL     H5    5   0.126774   0.048661   0.343727
-    1SOL     H6    6   0.022561   0.065801   0.235261
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097655   0.117831  -0.293965
-    0SOL     H2    2   0.083545   0.190186  -0.232907
-    0SOL     H3    3   0.077040   0.154588  -0.379909
-    1SOL     O4    4  -0.093288  -0.121088   0.290417
-    1SOL     H5    5  -0.168342  -0.180481   0.291730
-    1SOL     H6    6  -0.062771  -0.118969   0.381117
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046632   0.318534   0.087434
-    0SOL     H2    2  -0.108745   0.370596   0.138363
-    0SOL     H3    3  -0.074680   0.329794  -0.003389
-    1SOL     O4    4   0.046452  -0.324273  -0.088999
-    1SOL     H5    5   0.134397  -0.362062  -0.089216
-    1SOL     H6    6   0.051260  -0.252659  -0.025669
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095928  -0.367343  -0.137999
-    0SOL     H2    2  -0.044325  -0.438810  -0.175309
-    0SOL     H3    3  -0.055423  -0.350353  -0.052952
-    1SOL     O4    4   0.090949   0.363957   0.136548
-    1SOL     H5    5   0.098749   0.433342   0.202025
-    1SOL     H6    6   0.084379   0.410354   0.053082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.103301   0.437925   0.030271
-    0SOL     H2    2   0.089277   0.508683   0.093191
-    0SOL     H3    3   0.192300   0.407419   0.047904
-    1SOL     O4    4  -0.105317  -0.435684  -0.031326
-    1SOL     H5    5  -0.059993  -0.515468  -0.058577
-    1SOL     H6    6  -0.191971  -0.442421  -0.071427
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055600   0.181057   0.438858
-    0SOL     H2    2  -0.010169   0.151726   0.501916
-    0SOL     H3    3   0.028859   0.141244   0.356020
-    1SOL     O4    4  -0.051812  -0.179327  -0.432901
-    1SOL     H5    5  -0.030329  -0.218632  -0.517493
-    1SOL     H6    6  -0.030301  -0.086642  -0.443346
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028740   0.482991  -0.069168
-    0SOL     H2    2   0.097877   0.418019  -0.056480
-    0SOL     H3    3  -0.045919   0.432583  -0.101531
-    1SOL     O4    4  -0.031382  -0.472300   0.066504
-    1SOL     H5    5   0.004861  -0.466129   0.154882
-    1SOL     H6    6  -0.017263  -0.563499   0.041089
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000813  -0.418573   0.326946
-    0SOL     H2    2   0.030455  -0.447024   0.241067
-    0SOL     H3    3   0.065367  -0.450409   0.388338
-    1SOL     O4    4   0.003376   0.420861  -0.324706
-    1SOL     H5    5  -0.063415   0.354480  -0.307532
-    1SOL     H6    6  -0.045557   0.496083  -0.358015
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.395563  -0.242313  -0.307588
-    0SOL     H2    2  -0.331246  -0.228910  -0.377200
-    0SOL     H3    3  -0.403648  -0.337417  -0.300370
-    1SOL     O4    4   0.394392   0.243421   0.316389
-    1SOL     H5    5   0.411150   0.334591   0.292524
-    1SOL     H6    6   0.344100   0.208242   0.242935
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013608   0.452819   0.324154
-    0SOL     H2    2  -0.074538   0.483620   0.303083
-    0SOL     H3    3   0.050642   0.521850   0.379160
-    1SOL     O4    4  -0.006482  -0.460486  -0.322034
-    1SOL     H5    5  -0.085268  -0.410962  -0.299619
-    1SOL     H6    6  -0.012377  -0.473403  -0.416695
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/360K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088752   0.198654   0.534040
-    0SOL     H2    2  -0.174360   0.172846   0.499870
-    0SOL     H3    3  -0.105506   0.279809   0.581950
-    1SOL     O4    4   0.090861  -0.205900  -0.539002
-    1SOL     H5    5   0.165220  -0.220328  -0.480480
-    1SOL     H6    6   0.065234  -0.115023  -0.523290
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039238  -0.055278  -0.107131
-    0SOL     H2    2  -0.119237  -0.002950  -0.102201
-    0SOL     H3    3   0.013067  -0.012807  -0.175123
-    1SOL     O4    4   0.037921   0.047055   0.115609
-    1SOL     H5    5   0.028742   0.029035   0.022050
-    1SOL     H6    6   0.107107   0.113010   0.120670
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062960  -0.007057   0.109614
-    0SOL     H2    2   0.087956  -0.098738   0.098125
-    0SOL     H3    3   0.022675  -0.003858   0.196386
-    1SOL     O4    4  -0.059925   0.008546  -0.119284
-    1SOL     H5    5  -0.013126   0.016905  -0.036204
-    1SOL     H6    6  -0.143517   0.052703  -0.104290
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054912  -0.120565   0.013146
-    0SOL     H2    2  -0.011127  -0.188859   0.001434
-    0SOL     H3    3   0.006694  -0.038528   0.002790
-    1SOL     O4    4  -0.047778   0.112802  -0.012894
-    1SOL     H5    5   0.008213   0.180861  -0.050248
-    1SOL     H6    6  -0.111414   0.160592   0.040294
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060677   0.023753  -0.121649
-    0SOL     H2    2   0.093763  -0.063547  -0.100522
-    0SOL     H3    3   0.003353   0.046088  -0.048317
-    1SOL     O4    4  -0.055641  -0.015419   0.112972
-    1SOL     H5    5  -0.149499  -0.031599   0.103426
-    1SOL     H6    6  -0.027518  -0.076675   0.180936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062393  -0.119530   0.016271
-    0SOL     H2    2  -0.037377  -0.031279  -0.011084
-    0SOL     H3    3  -0.154711  -0.126892  -0.007930
-    1SOL     O4    4   0.067762   0.108313  -0.016005
-    1SOL     H5    5   0.133047   0.166288   0.023227
-    1SOL     H6    6  -0.014684   0.156333  -0.008323
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008662  -0.075207   0.105414
-    0SOL     H2    2  -0.029186  -0.014482   0.168994
-    0SOL     H3    3  -0.037912  -0.157519   0.120175
-    1SOL     O4    4  -0.002804   0.077124  -0.116933
-    1SOL     H5    5   0.005413  -0.002433  -0.064345
-    1SOL     H6    6  -0.026388   0.145212  -0.053925
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007252   0.129155  -0.002002
-    0SOL     H2    2   0.062131   0.184723  -0.057344
-    0SOL     H3    3  -0.073900   0.178747   0.008828
-    1SOL     O4    4  -0.001805  -0.139430   0.002540
-    1SOL     H5    5  -0.088599  -0.155078   0.039746
-    1SOL     H6    6   0.008527  -0.044299   0.004909
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076805   0.089230  -0.075719
-    0SOL     H2    2   0.035819   0.025283  -0.017468
-    0SOL     H3    3   0.015217   0.162466  -0.078092
-    1SOL     O4    4  -0.066080  -0.085681   0.074544
-    1SOL     H5    5  -0.159512  -0.065311   0.070302
-    1SOL     H6    6  -0.059618  -0.175546   0.042223
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072657   0.041191   0.114978
-    0SOL     H2    2  -0.082592  -0.052848   0.129814
-    0SOL     H3    3  -0.038540   0.047945   0.025800
-    1SOL     O4    4   0.070120  -0.032524  -0.105049
-    1SOL     H5    5   0.093168   0.003303  -0.190767
-    1SOL     H6    6   0.067048  -0.127222  -0.118656
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125398  -0.018509  -0.038953
-    0SOL     H2    2   0.163689  -0.091710   0.009397
-    0SOL     H3    3   0.173224   0.058383  -0.007927
-    1SOL     O4    4  -0.134333   0.021872   0.039460
-    1SOL     H5    5  -0.040015   0.010437   0.027817
-    1SOL     H6    6  -0.173378  -0.022794  -0.035657
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068950   0.084062  -0.074689
-    0SOL     H2    2  -0.050550   0.161961  -0.127182
-    0SOL     H3    3  -0.123285   0.029252  -0.131311
-    1SOL     O4    4   0.077187  -0.086419   0.079592
-    1SOL     H5    5   0.015678  -0.129607   0.138868
-    1SOL     H6    6   0.023442  -0.024523   0.030167
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092487  -0.105924   0.004667
-    0SOL     H2    2  -0.151720  -0.083145   0.076325
-    0SOL     H3    3  -0.020236  -0.043633   0.012532
-    1SOL     O4    4   0.088657   0.095099  -0.007939
-    1SOL     H5    5   0.097424   0.142771  -0.090480
-    1SOL     H6    6   0.130679   0.151539   0.056952
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062328   0.098440  -0.082222
-    0SOL     H2    2   0.142816   0.050362  -0.062921
-    0SOL     H3    3  -0.005762   0.051627  -0.033904
-    1SOL     O4    4  -0.065553  -0.088991   0.073108
-    1SOL     H5    5  -0.033305  -0.058948   0.158077
-    1SOL     H6    6  -0.058381  -0.184359   0.077070
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016328  -0.026205  -0.139390
-    0SOL     H2    2  -0.013817   0.011433  -0.051416
-    0SOL     H3    3  -0.077277  -0.099674  -0.132330
-    1SOL     O4    4   0.020775   0.027185   0.126675
-    1SOL     H5    5   0.019054  -0.037965   0.196781
-    1SOL     H6    6   0.004978   0.110546   0.170987
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108865   0.000312   0.075211
-    0SOL     H2    2   0.202178   0.021397   0.071982
-    0SOL     H3    3   0.104426  -0.081379   0.124902
-    1SOL     O4    4  -0.118233   0.007767  -0.080960
-    1SOL     H5    5  -0.033035   0.025121  -0.040927
-    1SOL     H6    6  -0.131704  -0.086232  -0.068925
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090294   0.003254   0.099117
-    0SOL     H2    2   0.036010   0.046203   0.165230
-    0SOL     H3    3   0.170102   0.055989   0.095643
-    1SOL     O4    4  -0.091187  -0.012365  -0.108437
-    1SOL     H5    5  -0.039671  -0.016098  -0.027849
-    1SOL     H6    6  -0.156773   0.055360  -0.091879
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.005645   0.135459  -0.045360
-    0SOL     H2    2   0.014210   0.042798  -0.022937
-    0SOL     H3    3   0.092429   0.160630  -0.076940
-    1SOL     O4    4  -0.010316  -0.125686   0.047260
-    1SOL     H5    5  -0.090077  -0.172289   0.022184
-    1SOL     H6    6   0.058024  -0.192697   0.046032
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036622   0.123328  -0.064746
-    0SOL     H2    2  -0.018182   0.045280  -0.012489
-    0SOL     H3    3  -0.005694   0.101245  -0.152599
-    1SOL     O4    4   0.038876  -0.113668   0.062828
-    1SOL     H5    5   0.017085  -0.107779   0.155849
-    1SOL     H6    6  -0.017049  -0.183827   0.029474
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036231   0.073461   0.108903
-    0SOL     H2    2   0.026048   0.137094   0.144036
-    0SOL     H3    3  -0.032768   0.000087   0.170276
-    1SOL     O4    4   0.037789  -0.077496  -0.115255
-    1SOL     H5    5  -0.027772  -0.061452  -0.183127
-    1SOL     H6    6   0.012338  -0.019854  -0.043200
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.142905   0.015000   0.017751
-    0SOL     H2    2  -0.047443   0.007999   0.018385
-    0SOL     H3    3  -0.168228  -0.010202  -0.071051
-    1SOL     O4    4   0.134028  -0.008230  -0.013828
-    1SOL     H5    5   0.160358  -0.042868   0.071432
-    1SOL     H6    6   0.187709  -0.056266  -0.076863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050338   0.131634   0.029742
-    0SOL     H2    2  -0.079757   0.121218   0.120231
-    0SOL     H3    3  -0.018766   0.044831   0.004628
-    1SOL     O4    4   0.044780  -0.125188  -0.030174
-    1SOL     H5    5   0.132754  -0.139930   0.004546
-    1SOL     H6    6   0.055252  -0.130595  -0.125166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132704  -0.017292  -0.014198
-    0SOL     H2    2  -0.204534   0.025102   0.032765
-    0SOL     H3    3  -0.166370  -0.104155  -0.036191
-    1SOL     O4    4   0.142353   0.016110   0.016057
-    1SOL     H5    5   0.047582   0.016522   0.029499
-    1SOL     H6    6   0.157411   0.083014  -0.050722
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060720  -0.068928   0.102684
-    0SOL     H2    2   0.021340  -0.090703   0.146892
-    0SOL     H3    3  -0.102420  -0.004482   0.159869
-    1SOL     O4    4   0.062358   0.065068  -0.114226
-    1SOL     H5    5   0.045929   0.150126  -0.073513
-    1SOL     H6    6   0.006816   0.004087  -0.065659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124793   0.002526  -0.056398
-    0SOL     H2    2   0.217702   0.024539  -0.049650
-    0SOL     H3    3   0.092107   0.057868  -0.127328
-    1SOL     O4    4  -0.133112  -0.009540   0.061391
-    1SOL     H5    5  -0.076305   0.039992   0.120398
-    1SOL     H6    6  -0.090727  -0.002617  -0.024154
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035780   0.115808   0.064183
-    0SOL     H2    2   0.106125   0.173021   0.033514
-    0SOL     H3    3   0.069861   0.076936   0.144741
-    1SOL     O4    4  -0.039961  -0.121493  -0.072167
-    1SOL     H5    5  -0.130621  -0.096780  -0.053938
-    1SOL     H6    6   0.011613  -0.072476  -0.008137
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103864  -0.086448   0.049725
-    0SOL     H2    2  -0.191861  -0.076105   0.013506
-    0SOL     H3    3  -0.060640  -0.002905   0.031986
-    1SOL     O4    4   0.101356   0.081388  -0.043808
-    1SOL     H5    5   0.108266   0.067381  -0.138245
-    1SOL     H6    6   0.191667   0.094146  -0.014767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122957   0.057335  -0.058247
-    0SOL     H2    2  -0.061251  -0.009831  -0.029207
-    0SOL     H3    3  -0.149989   0.101507   0.022255
-    1SOL     O4    4   0.117438  -0.050931   0.048742
-    1SOL     H5    5   0.104051  -0.144823   0.035802
-    1SOL     H6    6   0.189600  -0.045387   0.111386
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082888  -0.113581  -0.032882
-    0SOL     H2    2  -0.003603  -0.069631  -0.002149
-    0SOL     H3    3  -0.052321  -0.198269  -0.065377
-    1SOL     O4    4   0.072927   0.110918   0.036292
-    1SOL     H5    5   0.048829   0.151385  -0.047039
-    1SOL     H6    6   0.152594   0.156730   0.063066
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073721   0.127370  -0.005176
-    0SOL     H2    2  -0.158880   0.116425  -0.047490
-    0SOL     H3    3  -0.037487   0.038875  -0.000920
-    1SOL     O4    4   0.070571  -0.118849   0.006598
-    1SOL     H5    5   0.146336  -0.108991  -0.051063
-    1SOL     H6    6   0.103033  -0.170682   0.080231
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110623   0.084165   0.035479
-    0SOL     H2    2  -0.046461   0.146538   0.069468
-    0SOL     H3    3  -0.143588   0.038932   0.113129
-    1SOL     O4    4   0.112957  -0.089127  -0.038869
-    1SOL     H5    5   0.041949  -0.034636  -0.004944
-    1SOL     H6    6   0.108764  -0.077644  -0.133805
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054992   0.138402  -0.003423
-    0SOL     H2    2   0.021130   0.191659  -0.026478
-    0SOL     H3    3  -0.025671   0.048098  -0.015579
-    1SOL     O4    4   0.050906  -0.130512   0.005430
-    1SOL     H5    5  -0.015776  -0.170209  -0.050605
-    1SOL     H6    6   0.081213  -0.202203   0.061147
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062349  -0.026643  -0.133224
-    0SOL     H2    2  -0.104760  -0.111291  -0.119139
-    0SOL     H3    3  -0.023986  -0.004603  -0.048343
-    1SOL     O4    4   0.060934   0.034209   0.122990
-    1SOL     H5    5   0.005579  -0.007721   0.188868
-    1SOL     H6    6   0.149242   0.002711   0.142273
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039234  -0.044663   0.134831
-    0SOL     H2    2   0.065419   0.010572   0.208491
-    0SOL     H3    3  -0.003122   0.015491   0.073595
-    1SOL     O4    4  -0.042473   0.042413  -0.130727
-    1SOL     H5    5  -0.046247  -0.048979  -0.158932
-    1SOL     H6    6   0.029297   0.080258  -0.181511
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-    6
-    0SOL     O1    1   0.089408  -0.033641   0.111050
-    0SOL     H2    2   0.021889   0.030351   0.088497
-    0SOL     H3    3   0.142348   0.009873   0.177880
-    1SOL     O4    4  -0.085820   0.025672  -0.107272
-    1SOL     H5    5  -0.035138   0.045627  -0.185984
-    1SOL     H6    6  -0.176706   0.042027  -0.132462
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090613  -0.064294  -0.103627
-    0SOL     H2    2   0.054291   0.017652  -0.070044
-    0SOL     H3    3   0.109810  -0.115905  -0.025331
-    1SOL     O4    4  -0.087679   0.060535   0.091388
-    1SOL     H5    5  -0.137658   0.138794   0.114626
-    1SOL     H6    6  -0.070608   0.017246   0.175035
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089227   0.090217  -0.060915
-    0SOL     H2    2  -0.111086   0.175955  -0.024397
-    0SOL     H3    3  -0.159281   0.072276  -0.123628
-    1SOL     O4    4   0.095015  -0.092707   0.069011
-    1SOL     H5    5   0.126054  -0.174943   0.031114
-    1SOL     H6    6   0.061710  -0.042933  -0.005659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.138134   0.030488  -0.055407
-    0SOL     H2    2  -0.202937   0.089805  -0.017400
-    0SOL     H3    3  -0.074837   0.015868   0.014893
-    1SOL     O4    4   0.140306  -0.038971   0.047540
-    1SOL     H5    5   0.119850   0.035020  -0.009636
-    1SOL     H6    6   0.121229  -0.007117   0.135765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012693  -0.083583  -0.122172
-    0SOL     H2    2   0.060625  -0.144585  -0.114084
-    0SOL     H3    3   0.015939  -0.020238  -0.187974
-    1SOL     O4    4   0.010133   0.088219   0.127712
-    1SOL     H5    5   0.011843   0.052579   0.038891
-    1SOL     H6    6  -0.050277   0.031213   0.175286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061601  -0.037227   0.130689
-    0SOL     H2    2   0.023958  -0.076457   0.148096
-    0SOL     H3    3  -0.122402  -0.111156   0.130960
-    1SOL     O4    4   0.062379   0.046882  -0.137488
-    1SOL     H5    5  -0.024666   0.012209  -0.117909
-    1SOL     H6    6   0.113977   0.027836  -0.059148
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025933  -0.108072  -0.114160
-    0SOL     H2    2  -0.057426  -0.092374  -0.069809
-    0SOL     H3    3   0.067455  -0.021931  -0.118405
-    1SOL     O4    4  -0.027952   0.105550   0.115194
-    1SOL     H5    5   0.025310   0.032960   0.147692
-    1SOL     H6    6  -0.001636   0.115547   0.023707
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045124  -0.126634  -0.084808
-    0SOL     H2    2  -0.037114  -0.068424  -0.009246
-    0SOL     H3    3  -0.004855  -0.078135  -0.156839
-    1SOL     O4    4   0.047682   0.117825   0.080470
-    1SOL     H5    5  -0.044449   0.127568   0.056399
-    1SOL     H6    6   0.051849   0.146692   0.171638
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003364  -0.047240   0.139954
-    0SOL     H2    2   0.020191  -0.013871   0.228077
-    0SOL     H3    3  -0.078618  -0.095990   0.148001
-    1SOL     O4    4   0.003705   0.049272  -0.151830
-    1SOL     H5    5  -0.073947   0.093741  -0.117843
-    1SOL     H6    6   0.028490  -0.012012  -0.082604
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023151   0.118308  -0.098233
-    0SOL     H2    2  -0.066848   0.140034  -0.073933
-    0SOL     H3    3   0.077027   0.179040  -0.047524
-    1SOL     O4    4  -0.019263  -0.124569   0.100362
-    1SOL     H5    5  -0.082302  -0.172554   0.046641
-    1SOL     H6    6   0.006797  -0.050161   0.046080
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.100322  -0.075134  -0.094055
-    0SOL     H2    2   0.011512  -0.078978  -0.058553
-    0SOL     H3    3   0.095805  -0.125245  -0.175485
-    1SOL     O4    4  -0.098559   0.072361   0.093349
-    1SOL     H5    5  -0.021861   0.070266   0.150580
-    1SOL     H6    6  -0.122920   0.164838   0.089242
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083602  -0.003548  -0.127487
-    0SOL     H2    2   0.060228   0.032294  -0.213110
-    0SOL     H3    3   0.114153  -0.092319  -0.146157
-    1SOL     O4    4  -0.089656   0.010667   0.133068
-    1SOL     H5    5  -0.082534  -0.081719   0.157078
-    1SOL     H6    6   0.000024   0.037117   0.112567
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042925  -0.065121  -0.140325
-    0SOL     H2    2  -0.113319  -0.126495  -0.119343
-    0SOL     H3    3   0.014772  -0.067772  -0.063995
-    1SOL     O4    4   0.048518   0.065474   0.131565
-    1SOL     H5    5   0.049174   0.160668   0.141566
-    1SOL     H6    6  -0.031837   0.037303   0.175289
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059334   0.144981  -0.043483
-    0SOL     H2    2  -0.026343   0.056466  -0.028027
-    0SOL     H3    3  -0.153364   0.138824  -0.026665
-    1SOL     O4    4   0.061600  -0.134573   0.037789
-    1SOL     H5    5   0.041049  -0.141810   0.130996
-    1SOL     H6    6   0.102012  -0.218443   0.015541
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037361  -0.029154   0.154468
-    0SOL     H2    2   0.078699  -0.110716   0.182771
-    0SOL     H3    3   0.043542  -0.030997   0.058966
-    1SOL     O4    4  -0.036247   0.039786  -0.148203
-    1SOL     H5    5  -0.008248  -0.033163  -0.203492
-    1SOL     H6    6  -0.126914   0.019214  -0.125427
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007354  -0.077130  -0.141815
-    0SOL     H2    2   0.051338  -0.045825  -0.062773
-    0SOL     H3    3   0.047717  -0.027476  -0.213003
-    1SOL     O4    4  -0.018717   0.074597   0.139549
-    1SOL     H5    5   0.010265  -0.016434   0.145519
-    1SOL     H6    6   0.057420   0.125854   0.166721
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075917  -0.145201  -0.007951
-    0SOL     H2    2   0.090441  -0.167346   0.084033
-    0SOL     H3    3   0.124396  -0.063697  -0.020958
-    1SOL     O4    4  -0.078711   0.145552   0.008550
-    1SOL     H5    5  -0.062549   0.051219   0.006983
-    1SOL     H6    6  -0.110456   0.165926  -0.079424
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057164  -0.121383  -0.087008
-    0SOL     H2    2   0.028012  -0.150200  -0.119826
-    0SOL     H3    3  -0.114687  -0.124643  -0.163446
-    1SOL     O4    4   0.054372   0.130247   0.094409
-    1SOL     H5    5   0.118006   0.076131   0.141148
-    1SOL     H6    6   0.007371   0.068770   0.038072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026865   0.009347  -0.158509
-    0SOL     H2    2   0.065577  -0.014808  -0.152750
-    0SOL     H3    3  -0.054064  -0.020345  -0.245348
-    1SOL     O4    4   0.022001   0.000120   0.165798
-    1SOL     H5    5  -0.043831  -0.068478   0.154724
-    1SOL     H6    6   0.103101  -0.038975   0.133292
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051313   0.150456  -0.050254
-    0SOL     H2    2   0.066056   0.055898  -0.052173
-    0SOL     H3    3   0.062806   0.178384  -0.141085
-    1SOL     O4    4  -0.049604  -0.143424   0.051216
-    1SOL     H5    5  -0.138191  -0.133441   0.086074
-    1SOL     H6    6  -0.014251  -0.219688   0.097000
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042264   0.013916   0.153787
-    0SOL     H2    2   0.093919   0.010619   0.234305
-    0SOL     H3    3  -0.034990   0.065477   0.176929
-    1SOL     O4    4  -0.042165  -0.019969  -0.165797
-    1SOL     H5    5   0.025798  -0.046009  -0.103627
-    1SOL     H6    6  -0.081658   0.058062  -0.126889
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122114  -0.100385  -0.058081
-    0SOL     H2    2   0.162175  -0.097896  -0.144979
-    0SOL     H3    3   0.072743  -0.018601  -0.052064
-    1SOL     O4    4  -0.116848   0.099145   0.062416
-    1SOL     H5    5  -0.146597   0.047922   0.137606
-    1SOL     H6    6  -0.179537   0.078595  -0.006939
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084684  -0.096742  -0.123499
-    0SOL     H2    2   0.001543  -0.106986  -0.083221
-    0SOL     H3    3  -0.137771  -0.054313  -0.056091
-    1SOL     O4    4   0.076650   0.093913   0.116514
-    1SOL     H5    5   0.144845   0.091694   0.049382
-    1SOL     H6    6   0.123134   0.115991   0.197223
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128045   0.097838   0.076481
-    0SOL     H2    2   0.167607   0.010969   0.083627
-    0SOL     H3    3   0.122076   0.113815  -0.017708
-    1SOL     O4    4  -0.127231  -0.093438  -0.078294
-    1SOL     H5    5  -0.164347  -0.023811  -0.024101
-    1SOL     H6    6  -0.135075  -0.172343  -0.024677
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025610   0.127382   0.127067
-    0SOL     H2    2   0.101006   0.077930   0.094938
-    0SOL     H3    3   0.050319   0.219114   0.115359
-    1SOL     O4    4  -0.034894  -0.129439  -0.129269
-    1SOL     H5    5  -0.057159  -0.176031  -0.048672
-    1SOL     H6    6   0.052805  -0.094535  -0.113366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085097  -0.135013  -0.112862
-    0SOL     H2    2   0.014535  -0.195651  -0.090357
-    0SOL     H3    3   0.135522  -0.125806  -0.032024
-    1SOL     O4    4  -0.088533   0.133226   0.110593
-    1SOL     H5    5  -0.100261   0.227111   0.096091
-    1SOL     H6    6  -0.003337   0.113396   0.071726
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092875   0.172371  -0.025898
-    0SOL     H2    2  -0.091876   0.256402   0.019929
-    0SOL     H3    3  -0.140602   0.113639   0.032710
-    1SOL     O4    4   0.098269  -0.171037   0.024608
-    1SOL     H5    5   0.066649  -0.261290   0.020489
-    1SOL     H6    6   0.080541  -0.135400  -0.062443
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017957   0.120331  -0.156025
-    0SOL     H2    2  -0.055437   0.068996  -0.189793
-    0SOL     H3    3  -0.011933   0.211125  -0.161059
-    1SOL     O4    4  -0.013815  -0.125066   0.163416
-    1SOL     H5    5   0.027279  -0.168177   0.088482
-    1SOL     H6    6  -0.020941  -0.033244   0.137336
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046962  -0.165318  -0.106091
-    0SOL     H2    2   0.083267  -0.143048  -0.020368
-    0SOL     H3    3   0.118936  -0.150085  -0.167328
-    1SOL     O4    4  -0.048895   0.159339   0.108847
-    1SOL     H5    5  -0.073277   0.251793   0.113321
-    1SOL     H6    6  -0.094222   0.126292   0.031287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025506   0.136937  -0.166288
-    0SOL     H2    2   0.024352   0.075376  -0.220016
-    0SOL     H3    3  -0.009146   0.108909  -0.076237
-    1SOL     O4    4   0.015977  -0.131716   0.166055
-    1SOL     H5    5   0.076476  -0.061687   0.141596
-    1SOL     H6    6   0.067826  -0.211849   0.158791
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015096  -0.172723   0.148155
-    0SOL     H2    2  -0.056501  -0.121830   0.110126
-    0SOL     H3    3   0.093068  -0.143393   0.101013
-    1SOL     O4    4  -0.014785   0.162607  -0.140274
-    1SOL     H5    5   0.055339   0.205799  -0.189053
-    1SOL     H6    6  -0.089748   0.221518  -0.148783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040765   0.110231  -0.182769
-    0SOL     H2    2   0.101466   0.182110  -0.200409
-    0SOL     H3    3   0.032041   0.065042  -0.266698
-    1SOL     O4    4  -0.049009  -0.109510   0.191533
-    1SOL     H5    5   0.010331  -0.174437   0.229290
-    1SOL     H6    6  -0.010742  -0.088726   0.106292
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060284   0.121857  -0.181675
-    0SOL     H2    2   0.149088   0.086211  -0.179299
-    0SOL     H3    3   0.068292   0.208857  -0.142570
-    1SOL     O4    4  -0.062325  -0.121189   0.183567
-    1SOL     H5    5  -0.041909  -0.208924   0.151193
-    1SOL     H6    6  -0.144123  -0.097845   0.139677
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062647  -0.070824  -0.204137
-    0SOL     H2    2  -0.009120  -0.132586  -0.190096
-    0SOL     H3    3   0.104158  -0.100294  -0.285197
-    1SOL     O4    4  -0.063769   0.078716   0.213136
-    1SOL     H5    5  -0.100263   0.013087   0.153778
-    1SOL     H6    6   0.024193   0.095423   0.179284
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111541   0.198708  -0.081069
-    0SOL     H2    2   0.170496   0.125727  -0.100051
-    0SOL     H3    3   0.035790   0.158047  -0.038989
-    1SOL     O4    4  -0.114512  -0.190944   0.084802
-    1SOL     H5    5  -0.038167  -0.248278   0.091629
-    1SOL     H6    6  -0.118711  -0.167511  -0.007911
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.030518  -0.022721   0.259259
-    0SOL     H2    2   0.068678  -0.000772   0.174263
-    0SOL     H3    3   0.077632   0.032461   0.321688
-    1SOL     O4    4  -0.033771   0.016389  -0.251803
-    1SOL     H5    5  -0.005843  -0.022667  -0.334609
-    1SOL     H6    6  -0.094395   0.085934  -0.277310
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067355  -0.202554  -0.155717
-    0SOL     H2    2   0.039792  -0.288786  -0.124625
-    0SOL     H3    3   0.162752  -0.208327  -0.161042
-    1SOL     O4    4  -0.069332   0.202218   0.155356
-    1SOL     H5    5  -0.011345   0.275764   0.135585
-    1SOL     H6    6  -0.157355   0.239752   0.153001
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039961   0.110855  -0.246597
-    0SOL     H2    2   0.107015   0.051055  -0.279612
-    0SOL     H3    3   0.059655   0.194562  -0.288639
-    1SOL     O4    4  -0.045773  -0.118842   0.247446
-    1SOL     H5    5  -0.103544  -0.082953   0.314802
-    1SOL     H6    6   0.023061  -0.053097   0.237350
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088863   0.268713   0.038780
-    0SOL     H2    2   0.168786   0.281883   0.089782
-    0SOL     H3    3   0.022562   0.320697   0.084213
-    1SOL     O4    4  -0.093032  -0.270768  -0.050332
-    1SOL     H5    5   0.001399  -0.269190  -0.034758
-    1SOL     H6    6  -0.130137  -0.305721   0.030685
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.023357  -0.292945   0.030482
-    0SOL     H2    2  -0.114145  -0.262921   0.026182
-    0SOL     H3    3  -0.012983  -0.349088  -0.046347
-    1SOL     O4    4   0.030932   0.295430  -0.019292
-    1SOL     H5    5  -0.011447   0.360797  -0.074911
-    1SOL     H6    6   0.025484   0.214083  -0.069443
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044346  -0.004707  -0.293359
-    0SOL     H2    2  -0.030328  -0.048854  -0.377125
-    0SOL     H3    3  -0.075677  -0.073668  -0.234834
-    1SOL     O4    4   0.041894   0.006485   0.299214
-    1SOL     H5    5   0.081781  -0.022626   0.217215
-    1SOL     H6    6   0.060375   0.100332   0.302901
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015142  -0.031020   0.293774
-    0SOL     H2    2  -0.076289  -0.046516   0.270056
-    0SOL     H3    3   0.012321  -0.008434   0.386748
-    1SOL     O4    4  -0.008420   0.036858  -0.300009
-    1SOL     H5    5  -0.091254  -0.005949  -0.278366
-    1SOL     H6    6   0.057762  -0.031119  -0.287301
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004620   0.249003   0.244125
-    0SOL     H2    2   0.013927   0.281465   0.333690
-    0SOL     H3    3   0.002554   0.153738   0.253220
-    1SOL     O4    4   0.000730  -0.243171  -0.248109
-    1SOL     H5    5  -0.071909  -0.246874  -0.185883
-    1SOL     H6    6  -0.034832  -0.280496  -0.328760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018717   0.133752  -0.338263
-    0SOL     H2    2  -0.015843   0.055372  -0.380976
-    0SOL     H3    3  -0.019503   0.132098  -0.250520
-    1SOL     O4    4  -0.017155  -0.131488   0.329197
-    1SOL     H5    5   0.031518  -0.050425   0.344101
-    1SOL     H6    6  -0.023320  -0.172026   0.415689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.152897  -0.243656   0.232212
-    0SOL     H2    2   0.198409  -0.308486   0.285952
-    0SOL     H3    3   0.097352  -0.295486   0.173981
-    1SOL     O4    4  -0.157821   0.252347  -0.234834
-    1SOL     H5    5  -0.148177   0.207875  -0.150623
-    1SOL     H6    6  -0.068782   0.257499  -0.269589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085663   0.165049  -0.345376
-    0SOL     H2    2  -0.087050   0.157062  -0.250000
-    0SOL     H3    3  -0.060925   0.256104  -0.361477
-    1SOL     O4    4   0.086645  -0.167079   0.336390
-    1SOL     H5    5   0.012910  -0.135262   0.388479
-    1SOL     H6    6   0.112903  -0.248553   0.379225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.325701  -0.048764  -0.222493
-    0SOL     H2    2  -0.272989   0.005684  -0.164020
-    0SOL     H3    3  -0.282201  -0.134024  -0.221601
-    1SOL     O4    4   0.321412   0.049207   0.212616
-    1SOL     H5    5   0.325452  -0.017983   0.280671
-    1SOL     H6    6   0.304011   0.130465   0.260120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013718   0.508861  -0.133194
-    0SOL     H2    2  -0.029974   0.597108  -0.166517
-    0SOL     H3    3  -0.098208   0.464483  -0.140565
-    1SOL     O4    4   0.020039  -0.515384   0.140470
-    1SOL     H5    5  -0.059964  -0.475455   0.106301
-    1SOL     H6    6   0.089769  -0.480966   0.084654
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099572  -0.520771  -0.217849
-    0SOL     H2    2  -0.033300  -0.452680  -0.206276
-    0SOL     H3    3  -0.174170  -0.490726  -0.165938
-    1SOL     O4    4   0.098328   0.511381   0.218623
-    1SOL     H5    5   0.038866   0.567346   0.168678
-    1SOL     H6    6   0.185466   0.533722   0.185909
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062477   0.360252  -0.493009
-    0SOL     H2    2   0.062172   0.264951  -0.501950
-    0SOL     H3    3   0.056421   0.392801  -0.582821
-    1SOL     O4    4  -0.057284  -0.359520   0.495811
-    1SOL     H5    5  -0.086040  -0.269389   0.481257
-    1SOL     H6    6  -0.124326  -0.397192   0.552807
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.619860   0.128661   0.144428
-    0SOL     H2    2  -0.599478   0.035718   0.134018
-    0SOL     H3    3  -0.691175   0.144660   0.082617
-    1SOL     O4    4   0.618930  -0.130022  -0.143556
-    1SOL     H5    5   0.670778  -0.064099  -0.189689
-    1SOL     H6    6   0.629182  -0.108118  -0.050941
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139509  -0.688284   0.141478
-    0SOL     H2    2   0.228277  -0.663323   0.167159
-    0SOL     H3    3   0.115260  -0.757437   0.203059
-    1SOL     O4    4  -0.147565   0.686314  -0.143412
-    1SOL     H5    5  -0.054761   0.691336  -0.120512
-    1SOL     H6    6  -0.159228   0.752997  -0.211085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.368207   0.570314   0.309675
-    0SOL     H2    2  -0.330831   0.504396   0.251193
-    0SOL     H3    3  -0.456885   0.584333   0.276480
-    1SOL     O4    4   0.368521  -0.571619  -0.309477
-    1SOL     H5    5   0.359625  -0.476326  -0.307886
-    1SOL     H6    6   0.416041  -0.592631  -0.229086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.566011   0.430295  -0.508065
-    0SOL     H2    2   0.488375   0.459132  -0.556058
-    0SOL     H3    3   0.630429   0.499545  -0.522797
-    1SOL     O4    4  -0.565216  -0.440144   0.516612
-    1SOL     H5    5  -0.637915  -0.386622   0.484793
-    1SOL     H6    6  -0.492020  -0.417829   0.459108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.940375  -0.086723   0.273346
-    0SOL     H2    2  -0.894957  -0.164960   0.242066
-    0SOL     H3    3  -1.033323  -0.107514   0.263830
-    1SOL     O4    4   0.944180   0.085390  -0.267962
-    1SOL     H5    5   0.984800   0.118753  -0.347957
-    1SOL     H6    6   0.882756   0.153992  -0.241824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.899652  -0.510614   0.126969
-    0SOL     H2    2   0.865090  -0.573927   0.064046
-    0SOL     H3    3   0.990661  -0.497549   0.100342
-    1SOL     O4    4  -0.906773   0.509153  -0.118512
-    1SOL     H5    5  -0.834282   0.563324  -0.087320
-    1SOL     H6    6  -0.908708   0.523793  -0.213086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/370K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   1.015810  -0.261134   0.151825
-    0SOL     H2    2   1.038808  -0.281532   0.242475
-    0SOL     H3    3   0.965278  -0.180040   0.157552
-    1SOL     O4    4  -1.013697   0.253560  -0.160823
-    1SOL     H5    5  -1.050092   0.247904  -0.072473
-    1SOL     H6    6  -0.990652   0.345858  -0.171421
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001738  -0.035221   0.123399
-    0SOL     H2    2   0.073174   0.015144   0.155242
-    0SOL     H3    3   0.034932  -0.120414   0.099739
-    1SOL     O4    4  -0.010334   0.037151  -0.128432
-    1SOL     H5    5  -0.012734   0.024741  -0.033550
-    1SOL     H6    6   0.082003   0.052726  -0.148270
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021183  -0.013709   0.134978
-    0SOL     H2    2   0.072738  -0.091130   0.112389
-    0SOL     H3    3   0.000700   0.026897   0.050752
-    1SOL     O4    4  -0.019917   0.015761  -0.123112
-    1SOL     H5    5  -0.095495  -0.037308  -0.148290
-    1SOL     H6    6  -0.006662   0.075204  -0.196957
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021413  -0.111484   0.053769
-    0SOL     H2    2  -0.034786  -0.134771   0.127673
-    0SOL     H3    3   0.091415  -0.176749   0.055353
-    1SOL     O4    4  -0.022968   0.118672  -0.063485
-    1SOL     H5    5  -0.006363   0.027264  -0.040435
-    1SOL     H6    6  -0.027534   0.164177   0.020603
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040561  -0.064421  -0.113070
-    0SOL     H2    2   0.061579   0.014781  -0.162543
-    0SOL     H3    3   0.040961  -0.036367  -0.021554
-    1SOL     O4    4  -0.035596   0.056281   0.113798
-    1SOL     H5    5  -0.114797   0.004769   0.098431
-    1SOL     H6    6  -0.057852   0.144215   0.083226
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002431   0.128074   0.018176
-    0SOL     H2    2  -0.083292   0.118371   0.068471
-    0SOL     H3    3   0.053936   0.182102   0.073548
-    1SOL     O4    4   0.007712  -0.135703  -0.022723
-    1SOL     H5    5  -0.072300  -0.140441  -0.075048
-    1SOL     H6    6   0.018365  -0.042530  -0.003548
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009808   0.124694   0.031958
-    0SOL     H2    2  -0.064637   0.184615   0.026496
-    0SOL     H3    3   0.042618   0.135260   0.121256
-    1SOL     O4    4  -0.012163  -0.134431  -0.036602
-    1SOL     H5    5   0.074210  -0.133366  -0.077842
-    1SOL     H6    6  -0.022519  -0.046462  -0.000318
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.096846  -0.092349   0.004210
-    0SOL     H2    2   0.087887  -0.132422  -0.082255
-    0SOL     H3    3   0.034704  -0.139966   0.059285
-    1SOL     O4    4  -0.096566   0.096246   0.003194
-    1SOL     H5    5  -0.006912   0.066863  -0.012964
-    1SOL     H6    6  -0.121227   0.143050  -0.076577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119114  -0.055270  -0.006058
-    0SOL     H2    2  -0.199639  -0.032399   0.040363
-    0SOL     H3    3  -0.136363  -0.031519  -0.097166
-    1SOL     O4    4   0.126566   0.051480   0.001425
-    1SOL     H5    5   0.043982   0.020526   0.038627
-    1SOL     H6    6   0.165758   0.104515   0.070806
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075998  -0.003001   0.112918
-    0SOL     H2    2   0.054184   0.019066   0.203470
-    0SOL     H3    3  -0.008539  -0.007260   0.068223
-    1SOL     O4    4  -0.076023   0.001837  -0.113422
-    1SOL     H5    5  -0.025083   0.081956  -0.125601
-    1SOL     H6    6  -0.016604  -0.068565  -0.139411
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006996  -0.117976  -0.053291
-    0SOL     H2    2   0.050456  -0.187765  -0.021808
-    0SOL     H3    3  -0.024367  -0.140583  -0.144667
-    1SOL     O4    4   0.007425   0.127083   0.062891
-    1SOL     H5    5  -0.041675   0.162156  -0.011416
-    1SOL     H6    6   0.015487   0.033528   0.044320
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069895   0.089191   0.068623
-    0SOL     H2    2   0.154921   0.046333   0.058825
-    0SOL     H3    3   0.084666   0.178925   0.038757
-    1SOL     O4    4  -0.075553  -0.096535  -0.071018
-    1SOL     H5    5  -0.154753  -0.053815  -0.038389
-    1SOL     H6    6  -0.004764  -0.059146  -0.018548
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048024  -0.114913   0.063437
-    0SOL     H2    2  -0.023494  -0.199030   0.024903
-    0SOL     H3    3   0.005733  -0.050694   0.017085
-    1SOL     O4    4   0.046754   0.109917  -0.057510
-    1SOL     H5    5   0.033080   0.177231   0.009155
-    1SOL     H6    6   0.003996   0.144635  -0.135796
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085030  -0.023436   0.110340
-    0SOL     H2    2   0.098391  -0.116857   0.126350
-    0SOL     H3    3   0.024112  -0.020200   0.036578
-    1SOL     O4    4  -0.078589   0.030368  -0.101200
-    1SOL     H5    5  -0.059767  -0.031232  -0.172007
-    1SOL     H6    6  -0.163319   0.068401  -0.124368
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119468  -0.075574   0.012805
-    0SOL     H2    2  -0.032466  -0.042327  -0.009279
-    0SOL     H3    3  -0.103510  -0.163291   0.047639
-    1SOL     O4    4   0.107668   0.077792  -0.017124
-    1SOL     H5    5   0.112654   0.088238   0.077893
-    1SOL     H6    6   0.198433   0.084420  -0.046792
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094418  -0.109468  -0.007833
-    0SOL     H2    2  -0.137375  -0.063539   0.064331
-    0SOL     H3    3  -0.014975  -0.058785  -0.024633
-    1SOL     O4    4   0.091270   0.096887   0.002037
-    1SOL     H5    5   0.069553   0.178160  -0.043629
-    1SOL     H6    6   0.126487   0.125406   0.086350
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056237   0.095545  -0.089527
-    0SOL     H2    2   0.031818   0.017234  -0.040197
-    0SOL     H3    3  -0.005752   0.098296  -0.162411
-    1SOL     O4    4  -0.048722  -0.088450   0.086532
-    1SOL     H5    5  -0.060030  -0.062297   0.177914
-    1SOL     H6    6  -0.092707  -0.173230   0.080214
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044627  -0.132956   0.020244
-    0SOL     H2    2  -0.010135  -0.204256  -0.033505
-    0SOL     H3    3  -0.058282  -0.060938  -0.041313
-    1SOL     O4    4   0.039141   0.136318  -0.010817
-    1SOL     H5    5   0.074492   0.145878  -0.099255
-    1SOL     H6    6   0.084508   0.060043   0.025046
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071823   0.086682  -0.086560
-    0SOL     H2    2   0.033353   0.005391  -0.119336
-    0SOL     H3    3   0.007403   0.154118  -0.108115
-    1SOL     O4    4  -0.072147  -0.087182   0.087080
-    1SOL     H5    5  -0.025540  -0.139129   0.152591
-    1SOL     H6    6  -0.011851  -0.016029   0.065538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051876  -0.003297   0.126532
-    0SOL     H2    2   0.031017   0.077098   0.174112
-    0SOL     H3    3   0.002891  -0.071645   0.172263
-    1SOL     O4    4  -0.047092   0.004584  -0.138627
-    1SOL     H5    5  -0.121433  -0.020069  -0.083600
-    1SOL     H6    6   0.029153  -0.004632  -0.081494
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.086882  -0.102049   0.055128
-    0SOL     H2    2   0.174266  -0.063066   0.052545
-    0SOL     H3    3   0.027326  -0.028384   0.041390
-    1SOL     O4    4  -0.085755   0.089484  -0.056084
-    1SOL     H5    5  -0.168151   0.110572  -0.012168
-    1SOL     H6    6  -0.043566   0.174278  -0.069953
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062737  -0.035557   0.123793
-    0SOL     H2    2  -0.069162   0.028972   0.194200
-    0SOL     H3    3  -0.023381   0.012339   0.050859
-    1SOL     O4    4   0.055258   0.032839  -0.123146
-    1SOL     H5    5   0.072353  -0.060817  -0.133078
-    1SOL     H6    6   0.141886   0.073466  -0.125855
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010911  -0.126906  -0.049298
-    0SOL     H2    2  -0.010775  -0.092473  -0.135937
-    0SOL     H3    3   0.055147  -0.209954  -0.066861
-    1SOL     O4    4  -0.018270   0.131782   0.052729
-    1SOL     H5    5   0.021817   0.166194   0.132549
-    1SOL     H6    6   0.044406   0.067075   0.020370
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074308   0.121188  -0.034628
-    0SOL     H2    2  -0.044930   0.135066  -0.124665
-    0SOL     H3    3  -0.036571   0.036794  -0.009810
-    1SOL     O4    4   0.067399  -0.111437   0.038635
-    1SOL     H5    5   0.045434  -0.184750  -0.018855
-    1SOL     H6    6   0.144553  -0.141079   0.086915
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024067  -0.085756   0.115556
-    0SOL     H2    2   0.002395  -0.042854   0.032779
-    0SOL     H3    3  -0.042876  -0.153407   0.125771
-    1SOL     O4    4  -0.021149   0.086782  -0.104636
-    1SOL     H5    5  -0.052077   0.042912  -0.183891
-    1SOL     H6    6   0.054064   0.138425  -0.133589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030266  -0.130839   0.054622
-    0SOL     H2    2  -0.110926  -0.159749   0.097289
-    0SOL     H3    3  -0.038130  -0.035532   0.050494
-    1SOL     O4    4   0.028100   0.127051  -0.058075
-    1SOL     H5    5   0.074100   0.189146  -0.001590
-    1SOL     H6    6   0.096726   0.068751  -0.090539
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067292   0.113946  -0.048039
-    0SOL     H2    2   0.117240   0.145485   0.027280
-    0SOL     H3    3   0.133801   0.089092  -0.112236
-    1SOL     O4    4  -0.071014  -0.119812   0.050687
-    1SOL     H5    5  -0.159410  -0.083938   0.042835
-    1SOL     H6    6  -0.015798  -0.058377   0.002322
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018090  -0.038269   0.142629
-    0SOL     H2    2  -0.018370  -0.017103   0.049279
-    0SOL     H3    3   0.049772   0.018076   0.179809
-    1SOL     O4    4   0.014052   0.036157  -0.133613
-    1SOL     H5    5  -0.047890   0.054791  -0.204170
-    1SOL     H6    6   0.077978  -0.023292  -0.172875
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020774  -0.024923  -0.135626
-    0SOL     H2    2  -0.007912   0.043753  -0.201053
-    0SOL     H3    3  -0.110603  -0.054877  -0.149617
-    1SOL     O4    4   0.021383   0.018608   0.144545
-    1SOL     H5    5   0.088640   0.082353   0.168532
-    1SOL     H6    6   0.018185   0.021922   0.048936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016714  -0.101301  -0.093509
-    0SOL     H2    2  -0.101030  -0.146054  -0.100600
-    0SOL     H3    3   0.048171  -0.169415  -0.111194
-    1SOL     O4    4   0.023565   0.108674   0.097931
-    1SOL     H5    5  -0.049214   0.170456   0.090966
-    1SOL     H6    6  -0.007800   0.029597   0.054054
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100362  -0.064482  -0.089588
-    0SOL     H2    2  -0.177270  -0.007638  -0.093618
-    0SOL     H3    3  -0.037003  -0.015455  -0.037202
-    1SOL     O4    4   0.097335   0.057836   0.080624
-    1SOL     H5    5   0.103249  -0.011612   0.146231
-    1SOL     H6    6   0.152068   0.128307   0.115273
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.130974   0.033085   0.037947
-    0SOL     H2    2   0.144530   0.112906  -0.013114
-    0SOL     H3    3   0.164637   0.054281   0.125009
-    1SOL     O4    4  -0.139339  -0.042078  -0.038452
-    1SOL     H5    5  -0.107114  -0.022894  -0.126519
-    1SOL     H6    6  -0.072348  -0.006455   0.019905
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052668  -0.016301   0.137216
-    0SOL     H2    2   0.014885   0.013264   0.054386
-    0SOL     H3    3   0.064009   0.063807   0.188368
-    1SOL     O4    4  -0.045371   0.008265  -0.131164
-    1SOL     H5    5  -0.119564  -0.047940  -0.153496
-    1SOL     H6    6  -0.063921   0.091156  -0.175292
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.064286  -0.125077  -0.044432
-    0SOL     H2    2   0.119864  -0.172225   0.017621
-    0SOL     H3    3   0.016952  -0.061510   0.009243
-    1SOL     O4    4  -0.064433   0.118015   0.039563
-    1SOL     H5    5  -0.011775   0.188516   0.077233
-    1SOL     H6    6  -0.122675   0.162017  -0.022356
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061543  -0.134321  -0.023865
-    0SOL     H2    2  -0.016763  -0.050444  -0.012835
-    0SOL     H3    3  -0.046694  -0.180488   0.058661
-    1SOL     O4    4   0.063428   0.128776   0.016074
-    1SOL     H5    5   0.065093   0.198603   0.081524
-    1SOL     H6    6  -0.028963   0.120073  -0.007389
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.117180   0.027933   0.090341
-    0SOL     H2    2  -0.072901   0.063218   0.167521
-    0SOL     H3    3  -0.048597   0.022305   0.023804
-    1SOL     O4    4   0.108735  -0.027295  -0.083927
-    1SOL     H5    5   0.084325  -0.110994  -0.123434
-    1SOL     H6    6   0.156364   0.018843  -0.152957
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126808   0.028934  -0.066145
-    0SOL     H2    2  -0.070417   0.082331  -0.122103
-    0SOL     H3    3  -0.136956  -0.053405  -0.113891
-    1SOL     O4    4   0.126301  -0.028956   0.077854
-    1SOL     H5    5   0.182999  -0.002406   0.005447
-    1SOL     H6    6   0.038074  -0.028302   0.040733
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047200   0.140764   0.007457
-    0SOL     H2    2  -0.013046   0.214535  -0.002048
-    0SOL     H3    3  -0.005126   0.063945  -0.015417
-    1SOL     O4    4  -0.034905  -0.137386  -0.008132
-    1SOL     H5    5  -0.119799  -0.150344  -0.050410
-    1SOL     H6    6  -0.044211  -0.178904   0.077612
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028306   0.017415   0.149779
-    0SOL     H2    2  -0.081031   0.075597   0.095032
-    0SOL     H3    3   0.025881  -0.031340   0.087739
-    1SOL     O4    4   0.034209  -0.019721  -0.139051
-    1SOL     H5    5  -0.035459   0.041183  -0.114569
-    1SOL     H6    6   0.009001  -0.051408  -0.225786
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.121314  -0.075513   0.030980
-    0SOL     H2    2  -0.143313  -0.149447  -0.025696
-    0SOL     H3    3  -0.055162  -0.110070   0.090913
-    1SOL     O4    4   0.125244   0.079835  -0.033633
-    1SOL     H5    5   0.105116   0.140320   0.037772
-    1SOL     H6    6   0.040545   0.042554  -0.058100
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002749   0.141803   0.010686
-    0SOL     H2    2   0.027641   0.184248  -0.071419
-    0SOL     H3    3   0.003059   0.212445   0.075277
-    1SOL     O4    4  -0.005660  -0.152119  -0.004167
-    1SOL     H5    5   0.011830  -0.058013  -0.004812
-    1SOL     H6    6   0.001640  -0.178515  -0.095886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037511  -0.038928   0.144630
-    0SOL     H2    2   0.030047   0.027907   0.133169
-    0SOL     H3    3  -0.085292  -0.039224   0.061689
-    1SOL     O4    4   0.030788   0.036446  -0.137302
-    1SOL     H5    5   0.063450  -0.050067  -0.162022
-    1SOL     H6    6   0.102184   0.096260  -0.159373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022434  -0.032552   0.143152
-    0SOL     H2    2  -0.023648   0.047203   0.169187
-    0SOL     H3    3  -0.042338  -0.102231   0.153726
-    1SOL     O4    4  -0.021431   0.032023  -0.146219
-    1SOL     H5    5   0.044702   0.054367  -0.211712
-    1SOL     H6    6   0.028878   0.010568  -0.067663
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013659   0.095968  -0.120138
-    0SOL     H2    2  -0.002894   0.038637  -0.045295
-    0SOL     H3    3   0.010089   0.184463  -0.083832
-    1SOL     O4    4  -0.011510  -0.092006   0.109035
-    1SOL     H5    5  -0.060142  -0.099890   0.191102
-    1SOL     H6    6   0.024476  -0.179415   0.093971
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030015   0.019641   0.152581
-    0SOL     H2    2   0.121942   0.006975   0.129103
-    0SOL     H3    3  -0.015513   0.026180   0.068636
-    1SOL     O4    4  -0.036082  -0.019107  -0.141055
-    1SOL     H5    5   0.029048  -0.083848  -0.168056
-    1SOL     H6    6  -0.039349   0.043320  -0.213543
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052355  -0.001653   0.138816
-    0SOL     H2    2   0.003906  -0.077588   0.171201
-    0SOL     H3    3   0.025913   0.070050   0.196451
-    1SOL     O4    4  -0.047204  -0.004406  -0.146008
-    1SOL     H5    5  -0.053847   0.031474  -0.057517
-    1SOL     H6    6  -0.052145   0.072078  -0.203350
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088180  -0.021722  -0.128461
-    0SOL     H2    2  -0.061749  -0.064512  -0.047020
-    0SOL     H3    3  -0.107875   0.068402  -0.102924
-    1SOL     O4    4   0.085273   0.024370   0.120120
-    1SOL     H5    5   0.146335  -0.036959   0.079225
-    1SOL     H6    6   0.070230  -0.011478   0.207590
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038730  -0.126047   0.086189
-    0SOL     H2    2  -0.082305  -0.051487   0.044906
-    0SOL     H3    3   0.033926  -0.087349   0.135034
-    1SOL     O4    4   0.042762   0.119533  -0.081590
-    1SOL     H5    5  -0.046365   0.151970  -0.068688
-    1SOL     H6    6   0.045186   0.091801  -0.173172
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099676   0.110464  -0.008380
-    0SOL     H2    2  -0.037639   0.181854  -0.023115
-    0SOL     H3    3  -0.156262   0.142004   0.062087
-    1SOL     O4    4   0.095487  -0.119480   0.002247
-    1SOL     H5    5   0.074833  -0.027504   0.018865
-    1SOL     H6    6   0.177143  -0.134713   0.049813
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046916   0.054028   0.142966
-    0SOL     H2    2  -0.131650   0.025017   0.109189
-    0SOL     H3    3   0.016543   0.023154   0.078297
-    1SOL     O4    4   0.042803  -0.051178  -0.133901
-    1SOL     H5    5   0.102524  -0.122096  -0.157699
-    1SOL     H6    6   0.083153   0.027498  -0.170564
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.143601   0.056115   0.011789
-    0SOL     H2    2  -0.092225   0.001255  -0.047484
-    0SOL     H3    3  -0.234446   0.041285  -0.014472
-    1SOL     O4    4   0.144013  -0.047874  -0.012019
-    1SOL     H5    5   0.098516  -0.122916   0.026205
-    1SOL     H6    6   0.224341  -0.039772   0.039402
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.082296  -0.121938  -0.059470
-    0SOL     H2    2   0.054199  -0.045573  -0.009058
-    0SOL     H3    3   0.155089  -0.090024  -0.112810
-    1SOL     O4    4  -0.086491   0.110110   0.062340
-    1SOL     H5    5  -0.031541   0.179962   0.097887
-    1SOL     H6    6  -0.115053   0.143056  -0.022872
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005005   0.139768  -0.080034
-    0SOL     H2    2   0.038483   0.076779  -0.022558
-    0SOL     H3    3  -0.028737   0.212427  -0.022416
-    1SOL     O4    4   0.008613  -0.135626   0.073051
-    1SOL     H5    5  -0.056603  -0.148493   0.141925
-    1SOL     H6    6  -0.010476  -0.204006   0.008848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043295  -0.036581  -0.144281
-    0SOL     H2    2  -0.082778   0.030874  -0.199536
-    0SOL     H3    3   0.016609  -0.083284  -0.202528
-    1SOL     O4    4   0.043852   0.031847   0.156439
-    1SOL     H5    5   0.018227   0.123954   0.151745
-    1SOL     H6    6   0.040977   0.001483   0.065708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.143742  -0.018665  -0.083369
-    0SOL     H2    2  -0.080633   0.032097  -0.032351
-    0SOL     H3    3  -0.119001  -0.003077  -0.174512
-    1SOL     O4    4   0.139562   0.011352   0.079622
-    1SOL     H5    5   0.089558  -0.023960   0.153209
-    1SOL     H6    6   0.169331   0.097168   0.109814
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084844  -0.148421   0.012859
-    0SOL     H2    2  -0.059182  -0.081731   0.076549
-    0SOL     H3    3  -0.054465  -0.114246  -0.071234
-    1SOL     O4    4   0.085179   0.142801  -0.006252
-    1SOL     H5    5   0.027852   0.211254  -0.040750
-    1SOL     H6    6   0.076901   0.070799  -0.068779
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006835  -0.168508   0.027088
-    0SOL     H2    2  -0.097710  -0.140997   0.014954
-    0SOL     H3    3   0.038157  -0.089819   0.057849
-    1SOL     O4    4   0.008300   0.164066  -0.021706
-    1SOL     H5    5  -0.046913   0.185442  -0.096918
-    1SOL     H6    6   0.085733   0.122634  -0.059783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035052  -0.156960   0.047833
-    0SOL     H2    2  -0.022293  -0.093908   0.118713
-    0SOL     H3    3   0.043297  -0.211898   0.050191
-    1SOL     O4    4   0.034302   0.159986  -0.048535
-    1SOL     H5    5  -0.005620   0.075182  -0.029124
-    1SOL     H6    6  -0.004893   0.186479  -0.131747
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032031  -0.147696   0.086156
-    0SOL     H2    2   0.043747  -0.108585   0.172732
-    0SOL     H3    3   0.086601  -0.094523   0.028216
-    1SOL     O4    4  -0.030027   0.139827  -0.086475
-    1SOL     H5    5  -0.050566   0.213741  -0.143722
-    1SOL     H6    6  -0.115255   0.108608  -0.056079
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018705   0.173093  -0.003093
-    0SOL     H2    2  -0.048217   0.106371  -0.065057
-    0SOL     H3    3  -0.099258   0.214909   0.027319
-    1SOL     O4    4   0.025965  -0.167248  -0.000422
-    1SOL     H5    5  -0.046960  -0.222584   0.027543
-    1SOL     H6    6   0.094765  -0.183831   0.064028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.165842   0.060479  -0.019958
-    0SOL     H2    2   0.086848   0.039098  -0.069608
-    0SOL     H3    3   0.237923   0.031719  -0.075989
-    1SOL     O4    4  -0.163106  -0.055746   0.032084
-    1SOL     H5    5  -0.235390  -0.114674   0.010523
-    1SOL     H6    6  -0.129465  -0.026977  -0.052786
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094476  -0.149361   0.049531
-    0SOL     H2    2   0.035167  -0.108123  -0.013271
-    0SOL     H3    3   0.055068  -0.131661   0.134948
-    1SOL     O4    4  -0.085491   0.144717  -0.046345
-    1SOL     H5    5  -0.071630   0.204873  -0.119499
-    1SOL     H6    6  -0.176315   0.116001  -0.055766
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135299   0.100631  -0.064025
-    0SOL     H2    2   0.131466   0.009440  -0.035183
-    0SOL     H3    3   0.219940   0.108337  -0.108058
-    1SOL     O4    4  -0.134970  -0.097155   0.060118
-    1SOL     H5    5  -0.137003  -0.124724   0.151759
-    1SOL     H6    6  -0.215311  -0.046426   0.048530
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085689   0.104598   0.125486
-    0SOL     H2    2   0.041331   0.182306   0.091485
-    0SOL     H3    3   0.071862   0.108550   0.220119
-    1SOL     O4    4  -0.081605  -0.110199  -0.135025
-    1SOL     H5    5  -0.028719  -0.134400  -0.059000
-    1SOL     H6    6  -0.154723  -0.060369  -0.098514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019079   0.119178  -0.145396
-    0SOL     H2    2  -0.032856   0.054302  -0.214415
-    0SOL     H3    3  -0.099984   0.117379  -0.094274
-    1SOL     O4    4   0.024514  -0.112399   0.152487
-    1SOL     H5    5  -0.006995  -0.199531   0.128458
-    1SOL     H6    6   0.057049  -0.075194   0.070514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031554  -0.105841   0.158996
-    0SOL     H2    2   0.043221  -0.163618   0.143737
-    0SOL     H3    3  -0.031221  -0.045934   0.084341
-    1SOL     O4    4   0.028558   0.100215  -0.151111
-    1SOL     H5    5   0.009132   0.184330  -0.109764
-    1SOL     H6    6   0.027707   0.118856  -0.244994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115338   0.153308   0.034223
-    0SOL     H2    2  -0.160859   0.096204   0.096104
-    0SOL     H3    3  -0.052654   0.095887  -0.009776
-    1SOL     O4    4   0.109293  -0.150785  -0.033369
-    1SOL     H5    5   0.141930  -0.073247   0.012293
-    1SOL     H6    6   0.170335  -0.163316  -0.106027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085191   0.042047  -0.169912
-    0SOL     H2    2   0.091015   0.038848  -0.265401
-    0SOL     H3    3   0.118207  -0.043018  -0.140992
-    1SOL     O4    4  -0.089519  -0.035199   0.180447
-    1SOL     H5    5  -0.011312  -0.084119   0.154895
-    1SOL     H6    6  -0.134345  -0.016789   0.097900
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014843   0.116167  -0.180042
-    0SOL     H2    2  -0.063638   0.040925  -0.146575
-    0SOL     H3    3   0.044824   0.079085  -0.245058
-    1SOL     O4    4   0.017221  -0.106326   0.175851
-    1SOL     H5    5  -0.035443  -0.060522   0.241355
-    1SOL     H6    6   0.023778  -0.195978   0.208743
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022619   0.085303  -0.187837
-    0SOL     H2    2  -0.015108   0.088112  -0.283220
-    0SOL     H3    3  -0.099485   0.138870  -0.168228
-    1SOL     O4    4   0.029154  -0.085415   0.186644
-    1SOL     H5    5  -0.041008  -0.059455   0.246357
-    1SOL     H6    6   0.063530  -0.166623   0.223870
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049401   0.045247  -0.217246
-    0SOL     H2    2  -0.077056   0.013353  -0.131338
-    0SOL     H3    3   0.033065  -0.000249  -0.234330
-    1SOL     O4    4   0.045397  -0.046914   0.213631
-    1SOL     H5    5   0.001139   0.014227   0.154764
-    1SOL     H6    6   0.105252   0.007802   0.264483
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048515   0.133818   0.168966
-    0SOL     H2    2  -0.020236   0.149538   0.259052
-    0SOL     H3    3  -0.076154   0.042179   0.168135
-    1SOL     O4    4   0.042596  -0.130703  -0.176406
-    1SOL     H5    5   0.082127  -0.157266  -0.093376
-    1SOL     H6    6   0.112935  -0.085647  -0.223148
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062492  -0.168450  -0.141406
-    0SOL     H2    2  -0.081537  -0.078293  -0.115497
-    0SOL     H3    3  -0.053976  -0.215896  -0.058709
-    1SOL     O4    4   0.069274   0.164051   0.134787
-    1SOL     H5    5  -0.009123   0.110802   0.121340
-    1SOL     H6    6   0.036015   0.252843   0.147907
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106231  -0.183879  -0.094759
-    0SOL     H2    2   0.197288  -0.183298  -0.065252
-    0SOL     H3    3   0.055181  -0.196762  -0.014820
-    1SOL     O4    4  -0.113121   0.188029   0.085252
-    1SOL     H5    5  -0.052704   0.218713   0.152858
-    1SOL     H6    6  -0.091691   0.095400   0.074163
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022299   0.208237   0.122466
-    0SOL     H2    2   0.048786   0.145660   0.108563
-    0SOL     H3    3  -0.050895   0.192472   0.212444
-    1SOL     O4    4   0.024721  -0.208949  -0.125780
-    1SOL     H5    5  -0.064098  -0.209179  -0.090094
-    1SOL     H6    6   0.032324  -0.124759  -0.170687
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086159   0.033481  -0.228642
-    0SOL     H2    2  -0.050684   0.016410  -0.315891
-    0SOL     H3    3  -0.033920   0.106453  -0.195350
-    1SOL     O4    4   0.080693  -0.043221   0.230279
-    1SOL     H5    5   0.117472  -0.001344   0.308099
-    1SOL     H6    6   0.049520   0.029475   0.176373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135156  -0.192093  -0.060662
-    0SOL     H2    2  -0.158384  -0.284921  -0.063050
-    0SOL     H3    3  -0.195314  -0.150702  -0.122550
-    1SOL     O4    4   0.138851   0.193800   0.057482
-    1SOL     H5    5   0.217882   0.179196   0.109474
-    1SOL     H6    6   0.077551   0.235331   0.118144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.210157   0.033435   0.133677
-    0SOL     H2    2   0.136597   0.073728   0.087549
-    0SOL     H3    3   0.242946   0.102383   0.191413
-    1SOL     O4    4  -0.204207  -0.041945  -0.139036
-    1SOL     H5    5  -0.204643   0.044893  -0.098771
-    1SOL     H6    6  -0.269269  -0.091695  -0.089496
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068948  -0.185635  -0.170671
-    0SOL     H2    2   0.056826  -0.097510  -0.135324
-    0SOL     H3    3   0.086351  -0.171956  -0.263796
-    1SOL     O4    4  -0.070428   0.177214   0.180923
-    1SOL     H5    5  -0.041862   0.126198   0.105136
-    1SOL     H6    6  -0.080506   0.266323   0.147451
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016898  -0.013125   0.277072
-    0SOL     H2    2   0.021233   0.016396   0.186121
-    0SOL     H3    3   0.039456   0.064355   0.328553
-    1SOL     O4    4  -0.018909   0.001821  -0.272857
-    1SOL     H5    5  -0.090230   0.061901  -0.294442
-    1SOL     H6    6   0.060709   0.050229  -0.294767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017968   0.195054   0.254639
-    0SOL     H2    2  -0.075440   0.209116   0.239161
-    0SOL     H3    3   0.044411   0.268429   0.310130
-    1SOL     O4    4  -0.014887  -0.203718  -0.260672
-    1SOL     H5    5  -0.043071  -0.112556  -0.268253
-    1SOL     H6    6   0.023493  -0.209775  -0.173193
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036608   0.215289   0.243485
-    0SOL     H2    2   0.031236   0.221040   0.338881
-    0SOL     H3    3  -0.021393   0.142689   0.220515
-    1SOL     O4    4  -0.031664  -0.211340  -0.240800
-    1SOL     H5    5  -0.010949  -0.276266  -0.308015
-    1SOL     H6    6  -0.080132  -0.143199  -0.287383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.081658  -0.234012  -0.229015
-    0SOL     H2    2  -0.134389  -0.158524  -0.255155
-    0SOL     H3    3   0.008824  -0.203430  -0.235340
-    1SOL     O4    4   0.079621   0.225289   0.224960
-    1SOL     H5    5   0.151894   0.219959   0.287495
-    1SOL     H6    6   0.016280   0.283864   0.266423
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056184   0.330175   0.073356
-    0SOL     H2    2   0.065365   0.398001   0.006441
-    0SOL     H3    3  -0.037276   0.329338   0.094015
-    1SOL     O4    4  -0.052752  -0.329103  -0.066925
-    1SOL     H5    5  -0.057295  -0.333915  -0.162416
-    1SOL     H6    6  -0.023785  -0.416226  -0.039856
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028076  -0.006616   0.391353
-    0SOL     H2    2  -0.097910   0.014140   0.329266
-    0SOL     H3    3   0.051607  -0.007801   0.338330
-    1SOL     O4    4   0.029371   0.000012  -0.387989
-    1SOL     H5    5  -0.031010   0.003062  -0.313779
-    1SOL     H6    6   0.056705   0.090897  -0.400439
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029187  -0.382048  -0.056335
-    0SOL     H2    2   0.076558  -0.456237  -0.018728
-    0SOL     H3    3   0.076439  -0.361849  -0.137091
-    1SOL     O4    4  -0.037928   0.389611   0.054834
-    1SOL     H5    5   0.024620   0.408509   0.124783
-    1SOL     H6    6  -0.040831   0.294038   0.050410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118206   0.329033   0.194441
-    0SOL     H2    2  -0.065479   0.399713   0.157203
-    0SOL     H3    3  -0.133414   0.269296   0.121212
-    1SOL     O4    4   0.112636  -0.329316  -0.182593
-    1SOL     H5    5   0.150085  -0.409448  -0.219181
-    1SOL     H6    6   0.135294  -0.261166  -0.245874
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-    6
-    0SOL     O1    1  -0.036121  -0.412528   0.286863
-    0SOL     H2    2  -0.090407  -0.378221   0.357845
-    0SOL     H3    3  -0.004069  -0.496560   0.319628
-    1SOL     O4    4   0.032907   0.412332  -0.296398
-    1SOL     H5    5   0.124373   0.387964  -0.282166
-    1SOL     H6    6   0.023133   0.496221  -0.251348
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.447058   0.342263  -0.151552
-    0SOL     H2    2   0.521255   0.297672  -0.110702
-    0SOL     H3    3   0.421435   0.284951  -0.223808
-    1SOL     O4    4  -0.455074  -0.340677   0.154792
-    1SOL     H5    5  -0.363343  -0.353247   0.179079
-    1SOL     H6    6  -0.455844  -0.258555   0.105621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.629957  -0.451823   0.094974
-    0SOL     H2    2   0.580304  -0.373475   0.071340
-    0SOL     H3    3   0.570577  -0.524479   0.076064
-    1SOL     O4    4  -0.627740   0.446980  -0.093667
-    1SOL     H5    5  -0.532701   0.452394  -0.103688
-    1SOL     H6    6  -0.653638   0.533907  -0.063084
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/380K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.716251  -0.515583   0.212285
-    0SOL     H2    2  -0.639325  -0.542433   0.162048
-    0SOL     H3    3  -0.680409  -0.471954   0.289578
-    1SOL     O4    4   0.713866   0.521052  -0.212071
-    1SOL     H5    5   0.745410   0.434109  -0.187408
-    1SOL     H6    6   0.635750   0.504188  -0.264757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003144  -0.047778   0.108406
-    0SOL     H2    2   0.098840  -0.049915   0.108227
-    0SOL     H3    3  -0.022869  -0.138888   0.121991
-    1SOL     O4    4  -0.011238   0.054715  -0.114577
-    1SOL     H5    5  -0.036746   0.016823  -0.030459
-    1SOL     H6    6   0.082726   0.070884  -0.106110
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.070183   0.013623   0.102947
-    0SOL     H2    2  -0.027089   0.023452   0.187850
-    0SOL     H3    3  -0.157558  -0.019279   0.124048
-    1SOL     O4    4   0.070106  -0.016781  -0.112776
-    1SOL     H5    5   0.043771   0.015954  -0.026769
-    1SOL     H6    6   0.146206   0.036268  -0.136375
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019914   0.098886   0.093781
-    0SOL     H2    2  -0.013297   0.059216   0.174315
-    0SOL     H3    3   0.018417   0.027845   0.029646
-    1SOL     O4    4  -0.020275  -0.093462  -0.088434
-    1SOL     H5    5  -0.053397  -0.035366  -0.156919
-    1SOL     H6    6   0.057046  -0.134532  -0.127127
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097359  -0.071697   0.047487
-    0SOL     H2    2   0.168342  -0.031210  -0.002359
-    0SOL     H3    3   0.110217  -0.165784   0.035461
-    1SOL     O4    4  -0.103898   0.077623  -0.049766
-    1SOL     H5    5  -0.026871   0.025385  -0.027396
-    1SOL     H6    6  -0.154225   0.082202   0.031527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071426  -0.111944   0.036137
-    0SOL     H2    2  -0.133072  -0.116793   0.109203
-    0SOL     H3    3  -0.052097  -0.018622   0.027200
-    1SOL     O4    4   0.074743   0.101111  -0.036602
-    1SOL     H5    5   0.051917   0.117285  -0.128142
-    1SOL     H6    6   0.079270   0.188245   0.002760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009147  -0.116857   0.060364
-    0SOL     H2    2  -0.008365  -0.195939   0.009357
-    0SOL     H3    3   0.103294  -0.119659   0.077421
-    1SOL     O4    4  -0.008072   0.123318  -0.061295
-    1SOL     H5    5  -0.027591   0.039203  -0.019993
-    1SOL     H6    6  -0.088129   0.174618  -0.050272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000179   0.130568   0.003504
-    0SOL     H2    2  -0.092163   0.156203   0.010151
-    0SOL     H3    3   0.046540   0.194719   0.057023
-    1SOL     O4    4  -0.004455  -0.138090  -0.007370
-    1SOL     H5    5   0.074191  -0.190652   0.007272
-    1SOL     H6    6   0.027960  -0.048524  -0.016839
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055124   0.051406  -0.108311
-    0SOL     H2    2   0.091873   0.124360  -0.058415
-    0SOL     H3    3   0.125400   0.025191  -0.167778
-    1SOL     O4    4  -0.063955  -0.060867   0.110446
-    1SOL     H5    5  -0.012575  -0.029623   0.035972
-    1SOL     H6    6  -0.078861   0.017218   0.163765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067783   0.001025   0.120780
-    0SOL     H2    2  -0.024783  -0.084430   0.124049
-    0SOL     H3    3  -0.136363  -0.009127   0.054780
-    1SOL     O4    4   0.069573   0.009781  -0.120412
-    1SOL     H5    5   0.039654  -0.002915  -0.030379
-    1SOL     H6    6   0.093871  -0.077876  -0.150213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080834  -0.042707   0.102913
-    0SOL     H2    2   0.006896  -0.098786   0.126378
-    0SOL     H3    3   0.057469   0.043483   0.137376
-    1SOL     O4    4  -0.077340   0.047373  -0.106661
-    1SOL     H5    5   0.004493   0.017835  -0.066746
-    1SOL     H6    6  -0.118198  -0.032650  -0.139664
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014042  -0.048397  -0.120803
-    0SOL     H2    2   0.016522  -0.011056  -0.203469
-    0SOL     H3    3  -0.008135  -0.143074  -0.133597
-    1SOL     O4    4   0.007656   0.049690   0.131559
-    1SOL     H5    5  -0.004414   0.026047   0.039594
-    1SOL     H6    6   0.088890   0.100303   0.132863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027715  -0.126786   0.030222
-    0SOL     H2    2  -0.040995  -0.187040  -0.042958
-    0SOL     H3    3   0.040322  -0.168165   0.083336
-    1SOL     O4    4   0.019098   0.136261  -0.030644
-    1SOL     H5    5   0.024402   0.059684   0.026541
-    1SOL     H6    6   0.108083   0.147442  -0.064094
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000189   0.091884  -0.106228
-    0SOL     H2    2   0.012889   0.001938  -0.076211
-    0SOL     H3    3  -0.073714   0.086363  -0.167268
-    1SOL     O4    4   0.002096  -0.086389   0.101289
-    1SOL     H5    5   0.049234  -0.155103   0.148392
-    1SOL     H6    6  -0.012274  -0.017987   0.166688
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.091795   0.049739  -0.096801
-    0SOL     H2    2   0.070560   0.005056  -0.178745
-    0SOL     H3    3   0.009330   0.051253  -0.048224
-    1SOL     O4    4  -0.090009  -0.041883   0.096082
-    1SOL     H5    5  -0.046058  -0.046165   0.181007
-    1SOL     H6    6  -0.066453  -0.123895   0.052706
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006351  -0.115664  -0.075078
-    0SOL     H2    2   0.003872  -0.174448   0.000425
-    0SOL     H3    3  -0.085245  -0.106371  -0.101275
-    1SOL     O4    4   0.000642   0.124705   0.070849
-    1SOL     H5    5  -0.012873   0.050406   0.012032
-    1SOL     H6    6  -0.018116   0.089997   0.158060
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.129056   0.036374  -0.023919
-    0SOL     H2    2  -0.108860   0.127753  -0.044029
-    0SOL     H3    3  -0.190007   0.009573  -0.092686
-    1SOL     O4    4   0.133685  -0.046434   0.028824
-    1SOL     H5    5   0.182037   0.036123   0.031775
-    1SOL     H6    6   0.042429  -0.020367   0.016372
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071959  -0.024805   0.120704
-    0SOL     H2    2   0.033328  -0.030397   0.033304
-    0SOL     H3    3   0.166386  -0.022950   0.105131
-    1SOL     O4    4  -0.072273   0.019920  -0.111694
-    1SOL     H5    5  -0.035518   0.055385  -0.192649
-    1SOL     H6    6  -0.151186   0.071886  -0.096381
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.087900   0.107899  -0.029672
-    0SOL     H2    2  -0.032236   0.048354  -0.079854
-    0SOL     H3    3  -0.173801   0.065674  -0.029078
-    1SOL     O4    4   0.085946  -0.096708   0.031386
-    1SOL     H5    5   0.166231  -0.107408   0.082398
-    1SOL     H6    6   0.069456  -0.183328  -0.005861
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062316   0.054155   0.104930
-    0SOL     H2    2  -0.070160  -0.008160   0.177164
-    0SOL     H3    3  -0.106315   0.133101   0.136455
-    1SOL     O4    4   0.061676  -0.058111  -0.116359
-    1SOL     H5    5   0.155949  -0.063057  -0.100538
-    1SOL     H6    6   0.028085  -0.004395  -0.044606
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.075591   0.020768   0.122283
-    0SOL     H2    2   0.011259   0.012139   0.051933
-    0SOL     H3    3   0.133222   0.091587   0.093550
-    1SOL     O4    4  -0.072314  -0.021494  -0.111058
-    1SOL     H5    5  -0.065964   0.006398  -0.202404
-    1SOL     H6    6  -0.126414  -0.100413  -0.113768
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028448   0.139198  -0.022481
-    0SOL     H2    2  -0.026341   0.043823  -0.014639
-    0SOL     H3    3  -0.121561   0.160815  -0.027481
-    1SOL     O4    4   0.033689  -0.128755   0.018293
-    1SOL     H5    5   0.113351  -0.171669   0.049514
-    1SOL     H6    6  -0.037623  -0.182292   0.053089
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067899  -0.115437  -0.055014
-    0SOL     H2    2  -0.126494  -0.153753   0.010261
-    0SOL     H3    3  -0.014738  -0.052895  -0.005772
-    1SOL     O4    4   0.074686   0.112047   0.046197
-    1SOL     H5    5   0.013248   0.065411   0.102879
-    1SOL     H6    6   0.027753   0.191237   0.019955
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076349   0.100342  -0.064793
-    0SOL     H2    2  -0.155718   0.095719  -0.011487
-    0SOL     H3    3  -0.080092   0.022393  -0.120220
-    1SOL     O4    4   0.088760  -0.094469   0.063870
-    1SOL     H5    5   0.037333  -0.169407   0.093904
-    1SOL     H6    6   0.023780  -0.026720   0.045161
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039117   0.038894   0.137051
-    0SOL     H2    2   0.025216   0.042059   0.066244
-    0SOL     H3    3  -0.094385  -0.036346   0.115914
-    1SOL     O4    4   0.039301  -0.034914  -0.124357
-    1SOL     H5    5   0.102036  -0.004706  -0.190040
-    1SOL     H6    6  -0.037023  -0.062640  -0.175034
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038255  -0.139154  -0.005854
-    0SOL     H2    2   0.036541  -0.192270   0.073758
-    0SOL     H3    3  -0.008011  -0.058798   0.017908
-    1SOL     O4    4  -0.037629   0.133847   0.005467
-    1SOL     H5    5   0.031846   0.114861  -0.057580
-    1SOL     H6    6  -0.073866   0.217654  -0.023267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063333  -0.080754   0.093714
-    0SOL     H2    2  -0.077353  -0.155610   0.035728
-    0SOL     H3    3  -0.035747  -0.119559   0.176753
-    1SOL     O4    4   0.065877   0.093689  -0.096584
-    1SOL     H5    5   0.062010   0.045307  -0.014082
-    1SOL     H6    6   0.011721   0.042727  -0.156853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072623   0.114493   0.064766
-    0SOL     H2    2  -0.062356   0.075626  -0.022104
-    0SOL     H3    3  -0.001163   0.077158   0.116359
-    1SOL     O4    4   0.063468  -0.105184  -0.064566
-    1SOL     H5    5   0.149631  -0.121340  -0.103003
-    1SOL     H6    6   0.053155  -0.174108   0.001049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065326   0.118312   0.055498
-    0SOL     H2    2   0.141981   0.069775   0.024995
-    0SOL     H3    3   0.041143   0.173970  -0.018527
-    1SOL     O4    4  -0.067773  -0.124219  -0.045981
-    1SOL     H5    5  -0.004827  -0.052195  -0.049528
-    1SOL     H6    6  -0.139867  -0.095875  -0.102206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083762   0.071684  -0.094213
-    0SOL     H2    2  -0.110300   0.007529  -0.028318
-    0SOL     H3    3  -0.137556   0.051194  -0.170689
-    1SOL     O4    4   0.094388  -0.068699   0.095845
-    1SOL     H5    5   0.051094  -0.063791   0.010617
-    1SOL     H6    6   0.029289  -0.035685   0.157769
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056908  -0.057237  -0.115943
-    0SOL     H2    2   0.005415  -0.112322  -0.163313
-    0SOL     H3    3  -0.084568   0.008272  -0.180019
-    1SOL     O4    4   0.060945   0.055831   0.125743
-    1SOL     H5    5  -0.005869   0.121780   0.144426
-    1SOL     H6    6   0.022842   0.002063   0.056321
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024239   0.025066  -0.148682
-    0SOL     H2    2  -0.026279   0.056000  -0.073494
-    0SOL     H3    3   0.079148  -0.045008  -0.113511
-    1SOL     O4    4  -0.022643  -0.017058   0.146253
-    1SOL     H5    5   0.033983  -0.087378   0.114457
-    1SOL     H6    6  -0.109125  -0.038109   0.111040
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.027927  -0.120476   0.088765
-    0SOL     H2    2   0.056462  -0.185866   0.024952
-    0SOL     H3    3  -0.002785  -0.046966   0.035704
-    1SOL     O4    4  -0.032450   0.115408  -0.078529
-    1SOL     H5    5  -0.000083   0.108316  -0.168331
-    1SOL     H6    6   0.011789   0.192543  -0.043096
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020901  -0.054644  -0.130709
-    0SOL     H2    2  -0.088114  -0.013736  -0.185218
-    0SOL     H3    3   0.060053  -0.044485  -0.180764
-    1SOL     O4    4   0.020472   0.045968   0.141606
-    1SOL     H5    5   0.011446   0.138592   0.164004
-    1SOL     H6    6   0.025112   0.044737   0.046006
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057526  -0.111128   0.070577
-    0SOL     H2    2   0.103356  -0.158033   0.140304
-    0SOL     H3    3   0.014426  -0.179835   0.019743
-    1SOL     O4    4  -0.058067   0.123955  -0.071955
-    1SOL     H5    5  -0.004463   0.072637  -0.011495
-    1SOL     H6    6  -0.103429   0.058610  -0.125196
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007692   0.026170   0.143575
-    0SOL     H2    2  -0.083391   0.019676   0.172283
-    0SOL     H3    3   0.052030  -0.046183   0.187863
-    1SOL     O4    4  -0.008837  -0.017189  -0.152531
-    1SOL     H5    5   0.016226  -0.108262  -0.168018
-    1SOL     H6    6   0.031156   0.004730  -0.068374
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.125242  -0.088067  -0.016437
-    0SOL     H2    2  -0.106173  -0.161263   0.042224
-    0SOL     H3    3  -0.080849  -0.013199   0.023392
-    1SOL     O4    4   0.115738   0.085347   0.011560
-    1SOL     H5    5   0.158807   0.143535   0.074181
-    1SOL     H6    6   0.179141   0.075360  -0.059451
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086996  -0.098305  -0.081384
-    0SOL     H2    2  -0.036601  -0.026905  -0.042335
-    0SOL     H3    3  -0.030933  -0.131766  -0.151381
-    1SOL     O4    4   0.080726   0.090415   0.080375
-    1SOL     H5    5   0.009535   0.146870   0.110494
-    1SOL     H6    6   0.160465   0.138805   0.101880
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061434  -0.104271  -0.094178
-    0SOL     H2    2  -0.015630  -0.034239  -0.140651
-    0SOL     H3    3  -0.147035  -0.067034  -0.073004
-    1SOL     O4    4   0.064987   0.097809   0.088600
-    1SOL     H5    5   0.086769   0.168235   0.149658
-    1SOL     H6    6   0.025949   0.029740   0.143417
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033216   0.039709   0.141648
-    0SOL     H2    2   0.002262   0.128478   0.136781
-    0SOL     H3    3   0.040305  -0.013926   0.171317
-    1SOL     O4    4   0.025433  -0.046265  -0.148138
-    1SOL     H5    5   0.065852   0.040141  -0.156050
-    1SOL     H6    6   0.005113  -0.054817  -0.054991
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088745   0.099592  -0.078720
-    0SOL     H2    2  -0.022845   0.037549  -0.047573
-    0SOL     H3    3  -0.038868   0.165060  -0.127593
-    1SOL     O4    4   0.085057  -0.097145   0.075091
-    1SOL     H5    5   0.036336  -0.051852   0.143918
-    1SOL     H6    6   0.067397  -0.189983   0.090308
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137989   0.029546  -0.059782
-    0SOL     H2    2  -0.161599   0.111868  -0.102537
-    0SOL     H3    3  -0.058104   0.049831  -0.011108
-    1SOL     O4    4   0.135556  -0.039153   0.053664
-    1SOL     H5    5   0.135179   0.056041   0.063675
-    1SOL     H6    6   0.123735  -0.072677   0.142539
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037541  -0.131604   0.071718
-    0SOL     H2    2  -0.041472  -0.060136   0.008164
-    0SOL     H3    3  -0.121856  -0.128201   0.116904
-    1SOL     O4    4   0.042228   0.122475  -0.066634
-    1SOL     H5    5   0.012880   0.212161  -0.050590
-    1SOL     H6    6   0.075575   0.123823  -0.156348
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044353   0.041485  -0.136806
-    0SOL     H2    2  -0.118253   0.086106  -0.095453
-    0SOL     H3    3  -0.077685   0.013942  -0.222203
-    1SOL     O4    4   0.049872  -0.044099   0.145915
-    1SOL     H5    5   0.125244  -0.005572   0.101226
-    1SOL     H6    6  -0.016255  -0.053833   0.077396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024908  -0.147336   0.015218
-    0SOL     H2    2   0.016005  -0.206828   0.089674
-    0SOL     H3    3   0.114955  -0.159742  -0.014780
-    1SOL     O4    4  -0.027924   0.158035  -0.016882
-    1SOL     H5    5  -0.080043   0.121542  -0.088395
-    1SOL     H6    6  -0.007394   0.082827   0.038657
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042955   0.144002   0.016762
-    0SOL     H2    2  -0.099534   0.221090   0.021071
-    0SOL     H3    3   0.042386   0.175154   0.046909
-    1SOL     O4    4   0.045662  -0.155361  -0.021840
-    1SOL     H5    5  -0.019611  -0.099312  -0.063796
-    1SOL     H6    6   0.041083  -0.132233   0.070931
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119206  -0.075608   0.055612
-    0SOL     H2    2   0.203305  -0.095046   0.096987
-    0SOL     H3    3   0.077644  -0.161102   0.044405
-    1SOL     O4    4  -0.123426   0.087627  -0.055539
-    1SOL     H5    5  -0.036056   0.048856  -0.050481
-    1SOL     H6    6  -0.178249   0.018490  -0.092646
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161075  -0.005216   0.030594
-    0SOL     H2    2  -0.092414  -0.051058   0.079034
-    0SOL     H3    3  -0.138433   0.087428   0.038752
-    1SOL     O4    4   0.152241  -0.003441  -0.031881
-    1SOL     H5    5   0.109891   0.079282  -0.054809
-    1SOL     H6    6   0.245619   0.012932  -0.045099
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048037   0.010462   0.155987
-    0SOL     H2    2  -0.013631  -0.013840   0.070033
-    0SOL     H3    3   0.007670  -0.036283   0.218228
-    1SOL     O4    4   0.041619  -0.004006  -0.148831
-    1SOL     H5    5  -0.015078  -0.047012  -0.212847
-    1SOL     H6    6   0.129200  -0.009053  -0.187124
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003561   0.046930   0.153030
-    0SOL     H2    2   0.060405  -0.027826   0.171541
-    0SOL     H3    3  -0.077920   0.027133   0.199195
-    1SOL     O4    4  -0.006722  -0.040614  -0.161592
-    1SOL     H5    5   0.079223   0.001524  -0.161151
-    1SOL     H6    6  -0.008717  -0.091904  -0.080798
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133074  -0.090493   0.048228
-    0SOL     H2    2   0.101751  -0.038518   0.122253
-    0SOL     H3    3   0.055386  -0.104352  -0.005946
-    1SOL     O4    4  -0.123372   0.083387  -0.050175
-    1SOL     H5    5  -0.161717   0.136820  -0.119723
-    1SOL     H6    6  -0.157699   0.121160   0.030801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017987   0.109767   0.113844
-    0SOL     H2    2  -0.047728   0.184699   0.062240
-    0SOL     H3    3   0.048317   0.145928   0.172653
-    1SOL     O4    4   0.013085  -0.120484  -0.118512
-    1SOL     H5    5  -0.031074  -0.076026  -0.046154
-    1SOL     H6    6   0.103019  -0.087857  -0.115420
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126150   0.074726  -0.070054
-    0SOL     H2    2   0.198365   0.044368  -0.015047
-    0SOL     H3    3   0.100612   0.158729  -0.031928
-    1SOL     O4    4  -0.129697  -0.083721   0.067576
-    1SOL     H5    5  -0.051334  -0.043412   0.030203
-    1SOL     H6    6  -0.200213  -0.022156   0.047587
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097895   0.098107  -0.083088
-    0SOL     H2    2  -0.167211   0.159552  -0.058959
-    0SOL     H3    3  -0.017697   0.150314  -0.080848
-    1SOL     O4    4   0.102392  -0.103760   0.086222
-    1SOL     H5    5   0.095552  -0.162318   0.010814
-    1SOL     H6    6   0.022846  -0.050638   0.082649
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079803   0.113358  -0.099336
-    0SOL     H2    2  -0.155376   0.065874  -0.133924
-    0SOL     H3    3  -0.013470   0.045825  -0.085144
-    1SOL     O4    4   0.076087  -0.111010   0.098021
-    1SOL     H5    5   0.170897  -0.106573   0.085627
-    1SOL     H6    6   0.056086  -0.037940   0.156527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000617  -0.077974  -0.145852
-    0SOL     H2    2  -0.066017  -0.110728  -0.085442
-    0SOL     H3    3   0.020502  -0.152597  -0.202405
-    1SOL     O4    4  -0.000155   0.085220   0.151942
-    1SOL     H5    5  -0.005948   0.141199   0.074514
-    1SOL     H6    6   0.045790   0.006932   0.121573
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061696   0.161079   0.012971
-    0SOL     H2    2  -0.043936   0.231790  -0.049052
-    0SOL     H3    3   0.007009   0.096587  -0.003844
-    1SOL     O4    4   0.054381  -0.157837  -0.003488
-    1SOL     H5    5   0.144112  -0.152678  -0.036412
-    1SOL     H6    6   0.013436  -0.226544  -0.056073
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115264  -0.060419   0.116123
-    0SOL     H2    2  -0.073541  -0.075528   0.031310
-    0SOL     H3    3  -0.093703  -0.138145   0.167661
-    1SOL     O4    4   0.111827   0.061793  -0.120211
-    1SOL     H5    5   0.159946   0.047190  -0.038764
-    1SOL     H6    6   0.060957   0.141263  -0.104112
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004572  -0.102709   0.146441
-    0SOL     H2    2  -0.049204  -0.075104   0.220660
-    0SOL     H3    3  -0.018240  -0.041725   0.076278
-    1SOL     O4    4   0.002003   0.092593  -0.144161
-    1SOL     H5    5   0.004203   0.179219  -0.103500
-    1SOL     H6    6  -0.043105   0.106320  -0.227462
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.096391   0.094066  -0.111734
-    0SOL     H2    2   0.169769   0.117459  -0.168574
-    0SOL     H3    3   0.046162   0.030267  -0.162419
-    1SOL     O4    4  -0.100881  -0.096520   0.114949
-    1SOL     H5    5  -0.133538  -0.024403   0.168754
-    1SOL     H6    6  -0.006378  -0.082058   0.110230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072209   0.094316   0.133478
-    0SOL     H2    2  -0.131133   0.051867   0.071121
-    0SOL     H3    3  -0.096887   0.057841   0.218466
-    1SOL     O4    4   0.077830  -0.093566  -0.130298
-    1SOL     H5    5   0.025661  -0.105247  -0.209697
-    1SOL     H6    6   0.116500  -0.006499  -0.139584
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036253   0.059471  -0.163591
-    0SOL     H2    2   0.006939   0.071259  -0.253946
-    0SOL     H3    3   0.061976   0.147149  -0.135074
-    1SOL     O4    4  -0.029026  -0.065441   0.165930
-    1SOL     H5    5  -0.087922  -0.023775   0.103020
-    1SOL     H6    6  -0.085933  -0.091871   0.238217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.008310  -0.149701  -0.104017
-    0SOL     H2    2  -0.086519  -0.204232  -0.095528
-    0SOL     H3    3   0.009579  -0.147867  -0.198032
-    1SOL     O4    4   0.013975   0.159145   0.107197
-    1SOL     H5    5   0.028760   0.118051   0.192373
-    1SOL     H6    6  -0.034190   0.093472   0.056903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019005  -0.180860   0.052458
-    0SOL     H2    2   0.023231  -0.147052  -0.026507
-    0SOL     H3    3   0.039177  -0.250532   0.082839
-    1SOL     O4    4   0.007611   0.185886  -0.048867
-    1SOL     H5    5   0.017243   0.090652  -0.048729
-    1SOL     H6    6   0.096619   0.218992  -0.060862
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049295  -0.134094  -0.115004
-    0SOL     H2    2   0.024885  -0.194195  -0.121892
-    0SOL     H3    3  -0.124184  -0.184692  -0.146528
-    1SOL     O4    4   0.048809   0.147831   0.119857
-    1SOL     H5    5  -0.001344   0.070388   0.145345
-    1SOL     H6    6   0.109593   0.116140   0.053049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076728  -0.176324   0.034000
-    0SOL     H2    2  -0.083745  -0.267895   0.060980
-    0SOL     H3    3  -0.147811  -0.132113   0.080420
-    1SOL     O4    4   0.080524   0.185737  -0.036599
-    1SOL     H5    5   0.115240   0.113203   0.015322
-    1SOL     H6    6   0.054103   0.145529  -0.119348
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096740   0.154877   0.075116
-    0SOL     H2    2  -0.074882   0.245564   0.053658
-    0SOL     H3    3  -0.191942   0.154848   0.085066
-    1SOL     O4    4   0.097287  -0.157071  -0.079175
-    1SOL     H5    5   0.086839  -0.247467  -0.049480
-    1SOL     H6    6   0.166838  -0.121522  -0.023847
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.177647  -0.005788   0.113491
-    0SOL     H2    2  -0.230037   0.068067   0.144523
-    0SOL     H3    3  -0.102162  -0.008058   0.172305
-    1SOL     O4    4   0.182299   0.003310  -0.117048
-    1SOL     H5    5   0.144909  -0.081563  -0.140729
-    1SOL     H6    6   0.108660   0.064247  -0.122177
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.081541   0.203832  -0.075570
-    0SOL     H2    2   0.005980   0.160415  -0.035973
-    0SOL     H3    3   0.124136   0.135458  -0.127271
-    1SOL     O4    4  -0.077811  -0.190811   0.076655
-    1SOL     H5    5  -0.079481  -0.249656   0.001179
-    1SOL     H6    6  -0.109630  -0.244222   0.149437
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037620   0.223230   0.065668
-    0SOL     H2    2  -0.056382   0.308669   0.026802
-    0SOL     H3    3   0.042150   0.193846   0.021671
-    1SOL     O4    4   0.031228  -0.232309  -0.057997
-    1SOL     H5    5   0.078629  -0.229492  -0.141109
-    1SOL     H6    6   0.033678  -0.142162  -0.025906
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.103035   0.227851  -0.046676
-    0SOL     H2    2   0.050008   0.202047   0.028720
-    0SOL     H3    3   0.073932   0.170214  -0.117339
-    1SOL     O4    4  -0.093759  -0.228577   0.046264
-    1SOL     H5    5  -0.080234  -0.137420   0.072147
-    1SOL     H6    6  -0.187546  -0.234713   0.028131
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080480  -0.178131  -0.153628
-    0SOL     H2    2   0.108872  -0.269151  -0.145176
-    0SOL     H3    3   0.001803  -0.182482  -0.207972
-    1SOL     O4    4  -0.079402   0.189161   0.153001
-    1SOL     H5    5  -0.054051   0.104444   0.116359
-    1SOL     H6    6  -0.075390   0.176479   0.247792
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046273  -0.140687  -0.219496
-    0SOL     H2    2  -0.019900  -0.117614  -0.130421
-    0SOL     H3    3   0.032275  -0.126287  -0.272271
-    1SOL     O4    4   0.035601   0.135730   0.221030
-    1SOL     H5    5   0.075229   0.220711   0.240271
-    1SOL     H6    6   0.084354   0.103089   0.145398
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046898   0.213389   0.155183
-    0SOL     H2    2   0.004723   0.130817   0.131404
-    0SOL     H3    3   0.001988   0.279366   0.102340
-    1SOL     O4    4  -0.042383  -0.206485  -0.147285
-    1SOL     H5    5  -0.077880  -0.292381  -0.124393
-    1SOL     H6    6   0.006462  -0.221497  -0.228224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096880  -0.120069   0.222165
-    0SOL     H2    2  -0.003099  -0.133076   0.236245
-    0SOL     H3    3  -0.118703  -0.178979   0.149945
-    1SOL     O4    4   0.093088   0.117559  -0.217799
-    1SOL     H5    5   0.164908   0.180412  -0.225121
-    1SOL     H6    6   0.014025   0.169763  -0.231441
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.129178  -0.233123   0.054877
-    0SOL     H2    2  -0.107284  -0.316450   0.096586
-    0SOL     H3    3  -0.167730  -0.257769  -0.029198
-    1SOL     O4    4   0.129903   0.232650  -0.056480
-    1SOL     H5    5   0.138107   0.322592  -0.088188
-    1SOL     H6    6   0.123634   0.241217   0.038649
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046903   0.188346  -0.204513
-    0SOL     H2    2   0.030656   0.233802  -0.121857
-    0SOL     H3    3   0.026043   0.252990  -0.271955
-    1SOL     O4    4  -0.049883  -0.195915   0.199388
-    1SOL     H5    5  -0.038944  -0.216623   0.292199
-    1SOL     H6    6   0.026971  -0.143295   0.177320
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.191275  -0.199327  -0.106381
-    0SOL     H2    2  -0.177312  -0.260996  -0.034518
-    0SOL     H3    3  -0.187810  -0.113081  -0.065007
-    1SOL     O4    4   0.187994   0.192727   0.099571
-    1SOL     H5    5   0.167294   0.270462   0.047696
-    1SOL     H6    6   0.254534   0.222343   0.161681
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072332  -0.143085   0.243521
-    0SOL     H2    2  -0.055576  -0.074856   0.308531
-    0SOL     H3    3  -0.166512  -0.159164   0.249334
-    1SOL     O4    4   0.071053   0.137776  -0.245872
-    1SOL     H5    5   0.145295   0.092783  -0.286197
-    1SOL     H6    6   0.100528   0.228265  -0.235605
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.184770  -0.232361   0.043656
-    0SOL     H2    2  -0.242961  -0.254821  -0.028951
-    0SOL     H3    3  -0.124933  -0.306773   0.050356
-    1SOL     O4    4   0.183342   0.231753  -0.037011
-    1SOL     H5    5   0.152390   0.315183  -0.001744
-    1SOL     H6    6   0.236610   0.255998  -0.112754
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002793   0.200809  -0.235917
-    0SOL     H2    2   0.043399   0.259487  -0.176038
-    0SOL     H3    3   0.022587   0.112923  -0.207736
-    1SOL     O4    4  -0.000339  -0.194281   0.235201
-    1SOL     H5    5   0.035726  -0.282447   0.244602
-    1SOL     H6    6  -0.049463  -0.197075   0.153096
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042950   0.183073   0.243554
-    0SOL     H2    2   0.009033   0.230035   0.308782
-    0SOL     H3    3   0.017940   0.119901   0.205292
-    1SOL     O4    4   0.032980  -0.184409  -0.240593
-    1SOL     H5    5   0.034748  -0.202556  -0.334561
-    1SOL     H6    6   0.110359  -0.130220  -0.225157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.194401   0.246892   0.066380
-    0SOL     H2    2   0.289696   0.254616   0.061731
-    0SOL     H3    3   0.167925   0.222717  -0.022372
-    1SOL     O4    4  -0.199020  -0.251686  -0.059509
-    1SOL     H5    5  -0.140685  -0.217988  -0.127507
-    1SOL     H6    6  -0.240345  -0.173671  -0.022518
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004183  -0.386290   0.065280
-    0SOL     H2    2   0.079194  -0.363667   0.024065
-    0SOL     H3    3  -0.058379  -0.308163   0.054262
-    1SOL     O4    4   0.003631   0.385549  -0.065956
-    1SOL     H5    5  -0.080447   0.344628  -0.045497
-    1SOL     H6    6   0.068280   0.331634  -0.020394
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056493   0.325855   0.224566
-    0SOL     H2    2   0.087256   0.259300   0.163032
-    0SOL     H3    3   0.004387   0.385740   0.171077
-    1SOL     O4    4  -0.058444  -0.324699  -0.224568
-    1SOL     H5    5  -0.030991  -0.255491  -0.164410
-    1SOL     H6    6  -0.034012  -0.406008  -0.180362
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046909  -0.220131   0.560563
-    0SOL     H2    2  -0.122362  -0.161345   0.556905
-    0SOL     H3    3   0.028781  -0.161749   0.565545
-    1SOL     O4    4   0.046411   0.220048  -0.559263
-    1SOL     H5    5   0.007716   0.174262  -0.633887
-    1SOL     H6    6   0.093804   0.152074  -0.511349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.385584   0.698396   0.151290
-    0SOL     H2    2   0.328561   0.751227   0.095436
-    0SOL     H3    3   0.474012   0.728914   0.131004
-    1SOL     O4    4  -0.385200  -0.701029  -0.153279
-    1SOL     H5    5  -0.352296  -0.769179  -0.094668
-    1SOL     H6    6  -0.457008  -0.660315  -0.104821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.591245   0.398914  -0.503426
-    0SOL     H2    2  -0.588371   0.494590  -0.503952
-    0SOL     H3    3  -0.620179   0.375289  -0.591556
-    1SOL     O4    4   0.591060  -0.396744   0.509783
-    1SOL     H5    5   0.676417  -0.428827   0.480672
-    1SOL     H6    6   0.536954  -0.475399   0.516729
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.843325   0.203570  -0.174911
-    0SOL     H2    2  -0.760937   0.249259  -0.157968
-    0SOL     H3    3  -0.889834   0.206149  -0.091289
-    1SOL     O4    4   0.842086  -0.205049   0.176108
-    1SOL     H5    5   0.763035  -0.222961   0.125192
-    1SOL     H6    6   0.912877  -0.206108   0.111688
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.696735  -0.406623   0.574179
-    0SOL     H2    2   0.763810  -0.415944   0.641828
-    0SOL     H3    3   0.666603  -0.495985   0.557785
-    1SOL     O4    4  -0.698298   0.413917  -0.570068
-    1SOL     H5    5  -0.683307   0.326043  -0.604936
-    1SOL     H6    6  -0.718745   0.467091  -0.646989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/390K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -1.217877  -0.199263  -0.543652
-    0SOL     H2    2  -1.263366  -0.207264  -0.459812
-    0SOL     H3    3  -1.140323  -0.254575  -0.534251
-    1SOL     O4    4   1.213932   0.203303   0.544604
-    1SOL     H5    5   1.181666   0.251341   0.468358
-    1SOL     H6    6   1.283203   0.147048   0.509975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.087864  -0.078409  -0.050366
-    0SOL     H2    2  -0.005394  -0.033318  -0.032260
-    0SOL     H3    3  -0.073483  -0.167953  -0.019749
-    1SOL     O4    4   0.084541   0.075316   0.048147
-    1SOL     H5    5   0.091240   0.133857  -0.027287
-    1SOL     H6    6   0.033117   0.124478   0.112186
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111461   0.067256  -0.001655
-    0SOL     H2    2  -0.187666   0.019844   0.031620
-    0SOL     H3    3  -0.037071   0.010707   0.019097
-    1SOL     O4    4   0.107042  -0.057999   0.002322
-    1SOL     H5    5   0.201282  -0.043239  -0.005628
-    1SOL     H6    6   0.092308  -0.142468  -0.040224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041329   0.097889   0.084040
-    0SOL     H2    2  -0.007796   0.058027   0.164345
-    0SOL     H3    3  -0.012907   0.038852   0.014261
-    1SOL     O4    4   0.035113  -0.088567  -0.080475
-    1SOL     H5    5   0.065627  -0.065902  -0.168324
-    1SOL     H6    6   0.053157  -0.182208  -0.072218
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117230  -0.041312  -0.054303
-    0SOL     H2    2   0.186756  -0.038676   0.011436
-    0SOL     H3    3   0.036660  -0.027142  -0.004604
-    1SOL     O4    4  -0.115086   0.035284   0.044658
-    1SOL     H5    5  -0.072932   0.121214   0.043497
-    1SOL     H6    6  -0.188680   0.045469   0.105010
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100108   0.032624   0.088633
-    0SOL     H2    2  -0.019155   0.000794   0.048687
-    0SOL     H3    3  -0.169718  -0.013394   0.041739
-    1SOL     O4    4   0.100203  -0.034247  -0.080916
-    1SOL     H5    5   0.081565  -0.012159  -0.172169
-    1SOL     H6    6   0.115257   0.050172  -0.038383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047623   0.015511  -0.127655
-    0SOL     H2    2  -0.025638   0.035251  -0.186011
-    0SOL     H3    3   0.006466  -0.017478  -0.047780
-    1SOL     O4    4  -0.043876  -0.019327   0.122365
-    1SOL     H5    5  -0.060395   0.074531   0.131320
-    1SOL     H6    6   0.023549  -0.038163   0.187645
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083690   0.025997   0.106371
-    0SOL     H2    2  -0.023957   0.023751   0.031610
-    0SOL     H3    3  -0.121782   0.113780   0.104025
-    1SOL     O4    4   0.084760  -0.025155  -0.099418
-    1SOL     H5    5   0.023761  -0.038423  -0.171981
-    1SOL     H6    6   0.108667  -0.113596  -0.071687
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093575  -0.063713   0.062833
-    0SOL     H2    2  -0.123144  -0.029625   0.147249
-    0SOL     H3    3  -0.171873  -0.102678   0.023929
-    1SOL     O4    4   0.106589   0.062169  -0.065777
-    1SOL     H5    5   0.029825   0.011550  -0.039180
-    1SOL     H6    6   0.071451   0.147525  -0.091115
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031334   0.124678   0.022125
-    0SOL     H2    2  -0.003422   0.203777   0.063329
-    0SOL     H3    3   0.044302   0.149074  -0.069521
-    1SOL     O4    4  -0.033999  -0.132109  -0.024125
-    1SOL     H5    5   0.015801  -0.195828   0.027082
-    1SOL     H6    6  -0.011758  -0.047484   0.014686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061386  -0.110743  -0.052185
-    0SOL     H2    2   0.030891  -0.136178  -0.052684
-    0SOL     H3    3  -0.090953  -0.129443   0.036913
-    1SOL     O4    4   0.053710   0.117534   0.049542
-    1SOL     H5    5   0.148415   0.127479   0.039834
-    1SOL     H6    6   0.035138   0.030068   0.015379
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042815  -0.107510  -0.077420
-    0SOL     H2    2   0.085335  -0.174413  -0.023771
-    0SOL     H3    3   0.033827  -0.032131  -0.019114
-    1SOL     O4    4  -0.040976   0.102299   0.073371
-    1SOL     H5    5  -0.011475   0.173474   0.016572
-    1SOL     H6    6  -0.135543   0.115129   0.080775
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047346  -0.086868  -0.098873
-    0SOL     H2    2  -0.078041  -0.046865  -0.180236
-    0SOL     H3    3  -0.044957  -0.014687  -0.036052
-    1SOL     O4    4   0.042224   0.080414   0.098476
-    1SOL     H5    5   0.086249   0.086812   0.183230
-    1SOL     H6    6   0.112536   0.089497   0.034164
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007797  -0.042973  -0.127979
-    0SOL     H2    2   0.031747   0.045187  -0.099405
-    0SOL     H3    3   0.031911  -0.045569  -0.220575
-    1SOL     O4    4  -0.005251   0.042430   0.133049
-    1SOL     H5    5  -0.090367   0.042887   0.176838
-    1SOL     H6    6  -0.011320  -0.028927   0.069538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049871  -0.098715  -0.072763
-    0SOL     H2    2   0.036623  -0.118831  -0.108490
-    0SOL     H3    3  -0.103961  -0.173837  -0.097118
-    1SOL     O4    4   0.052408   0.103255   0.081646
-    1SOL     H5    5   0.006474   0.037822   0.029007
-    1SOL     H6    6   0.020643   0.187273   0.048567
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066016   0.117482  -0.039324
-    0SOL     H2    2  -0.135456   0.113927  -0.105109
-    0SOL     H3    3  -0.061577   0.028518  -0.004282
-    1SOL     O4    4   0.068198  -0.107759   0.045390
-    1SOL     H5    5   0.020715  -0.170671  -0.008922
-    1SOL     H6    6   0.160289  -0.121688   0.023310
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080672   0.017246   0.105132
-    0SOL     H2    2   0.038869   0.071471   0.172023
-    0SOL     H3    3   0.168508   0.054123   0.095790
-    1SOL     O4    4  -0.090820  -0.024514  -0.110088
-    1SOL     H5    5  -0.046916  -0.018297  -0.025258
-    1SOL     H6    6  -0.022552  -0.004084  -0.173997
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041979   0.004950   0.135122
-    0SOL     H2    2   0.075460   0.088945   0.166526
-    0SOL     H3    3   0.003221   0.024911   0.049906
-    1SOL     O4    4  -0.045770  -0.007627  -0.128130
-    1SOL     H5    5   0.025035   0.028398  -0.181525
-    1SOL     H6    6  -0.044241  -0.101564  -0.146458
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036654  -0.075211  -0.117787
-    0SOL     H2    2   0.014821  -0.036496  -0.046979
-    0SOL     H3    3  -0.083925  -0.001386  -0.156228
-    1SOL     O4    4   0.030570   0.065615   0.115264
-    1SOL     H5    5   0.054043   0.156397   0.096031
-    1SOL     H6    6   0.112254   0.025470   0.144903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088953   0.100427   0.007069
-    0SOL     H2    2  -0.095117   0.195821   0.002142
-    0SOL     H3    3  -0.137684   0.077282   0.086139
-    1SOL     O4    4   0.091885  -0.110455  -0.007702
-    1SOL     H5    5   0.039423  -0.031317   0.004437
-    1SOL     H6    6   0.149224  -0.090135  -0.081605
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048773   0.117095  -0.071083
-    0SOL     H2    2  -0.006851   0.170248  -0.003411
-    0SOL     H3    3  -0.032979   0.026710  -0.043820
-    1SOL     O4    4   0.043556  -0.114792   0.059420
-    1SOL     H5    5   0.117111  -0.069936   0.101134
-    1SOL     H6    6   0.005178  -0.167936   0.129171
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000371  -0.142297  -0.025140
-    0SOL     H2    2   0.021612  -0.050136  -0.011520
-    0SOL     H3    3   0.069538  -0.190436   0.019106
-    1SOL     O4    4  -0.009285   0.134869   0.022433
-    1SOL     H5    5   0.052143   0.163775   0.089912
-    1SOL     H6    6   0.008823   0.191693  -0.052436
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140542  -0.021712  -0.013346
-    0SOL     H2    2   0.205361   0.011584   0.048719
-    0SOL     H3    3   0.078218   0.050176  -0.023835
-    1SOL     O4    4  -0.134624   0.013859   0.011074
-    1SOL     H5    5  -0.213106  -0.040907   0.012930
-    1SOL     H6    6  -0.167468   0.102330  -0.004945
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011075   0.134225  -0.059796
-    0SOL     H2    2  -0.039341   0.045417  -0.037965
-    0SOL     H3    3   0.083159   0.134228  -0.042998
-    1SOL     O4    4   0.003884  -0.125052   0.056401
-    1SOL     H5    5  -0.015121  -0.201617   0.110614
-    1SOL     H6    6   0.094086  -0.138139   0.027168
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000239  -0.120247  -0.068900
-    0SOL     H2    2  -0.050757  -0.127305  -0.149896
-    0SOL     H3    3  -0.041243  -0.183104  -0.009487
-    1SOL     O4    4  -0.000183   0.125650   0.073847
-    1SOL     H5    5   0.024783   0.045438   0.027967
-    1SOL     H6    6   0.072105   0.186198   0.057395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131123   0.059452   0.023403
-    0SOL     H2    2   0.158946   0.017320  -0.057918
-    0SOL     H3    3   0.065533   0.123556  -0.004001
-    1SOL     O4    4  -0.134248  -0.060527  -0.013317
-    1SOL     H5    5  -0.105158  -0.002475  -0.083646
-    1SOL     H6    6  -0.065052  -0.126293  -0.006319
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054022   0.089646   0.103522
-    0SOL     H2    2  -0.071553   0.070616   0.011365
-    0SOL     H3    3   0.015852   0.155040   0.101652
-    1SOL     O4    4   0.052642  -0.086584  -0.093874
-    1SOL     H5    5   0.009754  -0.093543  -0.179165
-    1SOL     H6    6   0.071561  -0.177078  -0.069071
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021206  -0.147490   0.006110
-    0SOL     H2    2  -0.061332  -0.177304  -0.075519
-    0SOL     H3    3  -0.011114  -0.052981  -0.005228
-    1SOL     O4    4   0.021474   0.137866  -0.002740
-    1SOL     H5    5   0.059651   0.160249   0.082136
-    1SOL     H6    6   0.011321   0.221917  -0.047403
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051432  -0.139453   0.000395
-    0SOL     H2    2  -0.024259  -0.173438   0.085653
-    0SOL     H3    3   0.007175  -0.065516  -0.015755
-    1SOL     O4    4   0.051766   0.133147  -0.000023
-    1SOL     H5    5   0.065153   0.174623  -0.085245
-    1SOL     H6    6  -0.032663   0.166772   0.030033
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012120  -0.031296  -0.147714
-    0SOL     H2    2   0.011948   0.006156  -0.059625
-    0SOL     H3    3   0.094483  -0.001480  -0.186308
-    1SOL     O4    4  -0.011227   0.030173   0.142329
-    1SOL     H5    5  -0.102276   0.047271   0.118243
-    1SOL     H6    6  -0.016712  -0.035216   0.212017
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010368   0.007083  -0.155128
-    0SOL     H2    2   0.041740   0.000628  -0.075094
-    0SOL     H3    3  -0.101101   0.008276  -0.124659
-    1SOL     O4    4   0.008848  -0.004634   0.142706
-    1SOL     H5    5   0.042277  -0.091655   0.164432
-    1SOL     H6    6   0.034344   0.050101   0.216978
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118578  -0.027826   0.080573
-    0SOL     H2    2  -0.142572   0.050064   0.130771
-    0SOL     H3    3  -0.201395  -0.073669   0.066358
-    1SOL     O4    4   0.124782   0.024767  -0.089460
-    1SOL     H5    5   0.199166   0.042939  -0.032020
-    1SOL     H6    6   0.048649   0.026708  -0.031475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.109870  -0.091212  -0.059659
-    0SOL     H2    2  -0.091838  -0.184863  -0.051489
-    0SOL     H3    3  -0.044403  -0.049211  -0.003871
-    1SOL     O4    4   0.103619   0.087764   0.056414
-    1SOL     H5    5   0.190997   0.126819   0.057863
-    1SOL     H6    6   0.044198   0.162231   0.047136
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104829   0.106936   0.007959
-    0SOL     H2    2  -0.194099   0.072679   0.012391
-    0SOL     H3    3  -0.092724   0.130549  -0.084009
-    1SOL     O4    4   0.116503  -0.104666  -0.003180
-    1SOL     H5    5   0.044575  -0.058393   0.039803
-    1SOL     H6    6   0.074988  -0.180252  -0.044721
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066977   0.008008  -0.132737
-    0SOL     H2    2   0.160003  -0.013617  -0.126338
-    0SOL     H3    3   0.064486   0.087964  -0.185303
-    1SOL     O4    4  -0.077550  -0.009298   0.136593
-    1SOL     H5    5  -0.039108  -0.017945   0.049360
-    1SOL     H6    6  -0.008781  -0.039014   0.196177
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013886  -0.075852  -0.144640
-    0SOL     H2    2   0.021843   0.009983  -0.186248
-    0SOL     H3    3  -0.004008  -0.056363  -0.052649
-    1SOL     O4    4  -0.015297   0.063483   0.143103
-    1SOL     H5    5  -0.065429   0.138522   0.111192
-    1SOL     H6    6   0.074275   0.096214   0.151341
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139818   0.086828   0.006051
-    0SOL     H2    2  -0.079743   0.141637   0.056542
-    0SOL     H3    3  -0.090818   0.006235  -0.010260
-    1SOL     O4    4   0.128497  -0.088267  -0.009613
-    1SOL     H5    5   0.165060  -0.078374   0.078294
-    1SOL     H6    6   0.186346  -0.036518  -0.065629
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064754   0.142310   0.001642
-    0SOL     H2    2  -0.150747   0.101212   0.010497
-    0SOL     H3    3  -0.067426   0.185389  -0.083794
-    1SOL     O4    4   0.069141  -0.146748   0.008138
-    1SOL     H5    5   0.097878  -0.171334  -0.079794
-    1SOL     H6    6   0.055195  -0.052175   0.003261
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004992  -0.128974  -0.089781
-    0SOL     H2    2  -0.094063  -0.127586  -0.054755
-    0SOL     H3    3  -0.016594  -0.132840  -0.184717
-    1SOL     O4    4   0.016465   0.133770   0.093979
-    1SOL     H5    5   0.015546   0.052236   0.043843
-    1SOL     H6    6  -0.069747   0.137442   0.135408
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101583  -0.105636   0.063606
-    0SOL     H2    2   0.192769  -0.125576   0.042396
-    0SOL     H3    3   0.099713  -0.010554   0.074482
-    1SOL     O4    4  -0.105717   0.094928  -0.065670
-    1SOL     H5    5  -0.112065   0.176787  -0.114875
-    1SOL     H6    6  -0.105201   0.122077   0.026117
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044004   0.068607  -0.137080
-    0SOL     H2    2   0.047344   0.075883  -0.109422
-    0SOL     H3    3  -0.044394   0.100646  -0.227277
-    1SOL     O4    4   0.036428  -0.065630   0.144619
-    1SOL     H5    5   0.118704  -0.059277   0.096115
-    1SOL     H6    6   0.000717  -0.151022   0.120222
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055898   0.115295   0.107856
-    0SOL     H2    2  -0.145139   0.089414   0.130847
-    0SOL     H3    3  -0.037177   0.067650   0.026975
-    1SOL     O4    4   0.058886  -0.109573  -0.098465
-    1SOL     H5    5   0.129671  -0.087599  -0.159037
-    1SOL     H6    6  -0.000367  -0.164557  -0.149731
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089177   0.000553   0.140622
-    0SOL     H2    2  -0.102517   0.043961   0.056360
-    0SOL     H3    3  -0.156590   0.037556   0.197618
-    1SOL     O4    4   0.094688  -0.002711  -0.132990
-    1SOL     H5    5   0.040333  -0.077314  -0.158330
-    1SOL     H6    6   0.122763   0.035819  -0.215994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007090   0.153937   0.083537
-    0SOL     H2    2   0.010643   0.132360  -0.008018
-    0SOL     H3    3  -0.101428   0.141070   0.093388
-    1SOL     O4    4   0.017709  -0.154153  -0.078224
-    1SOL     H5    5  -0.033103  -0.103267  -0.015049
-    1SOL     H6    6  -0.042452  -0.168731  -0.151234
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056771   0.147641   0.072305
-    0SOL     H2    2  -0.144707   0.151789   0.034725
-    0SOL     H3    3   0.001402   0.170615  -0.000154
-    1SOL     O4    4   0.058847  -0.153894  -0.069973
-    1SOL     H5    5   0.016743  -0.157661   0.015907
-    1SOL     H6    6   0.094377  -0.065179  -0.075411
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073479   0.089816   0.124321
-    0SOL     H2    2  -0.010106   0.157098   0.099436
-    0SOL     H3    3  -0.156793   0.136510   0.130709
-    1SOL     O4    4   0.074483  -0.092872  -0.128912
-    1SOL     H5    5   0.073715  -0.056822  -0.040243
-    1SOL     H6    6   0.076844  -0.187720  -0.116236
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018033  -0.126277  -0.133174
-    0SOL     H2    2   0.034649  -0.155698  -0.058868
-    0SOL     H3    3  -0.026100  -0.031688  -0.120918
-    1SOL     O4    4   0.014700   0.116421   0.126289
-    1SOL     H5    5   0.082171   0.178013   0.097716
-    1SOL     H6    6  -0.040851   0.167353   0.185300
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067417   0.097530   0.135801
-    0SOL     H2    2   0.095254   0.011064   0.105617
-    0SOL     H3    3   0.147377   0.150142   0.134932
-    1SOL     O4    4  -0.074288  -0.093396  -0.127246
-    1SOL     H5    5  -0.091561  -0.179691  -0.164892
-    1SOL     H6    6  -0.051995  -0.038456  -0.202391
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013286  -0.018364  -0.179196
-    0SOL     H2    2   0.008286   0.054229  -0.117006
-    0SOL     H3    3   0.037923   0.022693  -0.262079
-    1SOL     O4    4  -0.017297   0.005566   0.180600
-    1SOL     H5    5   0.052801   0.034019   0.239244
-    1SOL     H6    6  -0.031333   0.080009   0.122088
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055088  -0.149982   0.094008
-    0SOL     H2    2   0.032710  -0.071050   0.044700
-    0SOL     H3    3   0.000570  -0.145472   0.172557
-    1SOL     O4    4  -0.045831   0.147012  -0.091135
-    1SOL     H5    5  -0.044822   0.154639  -0.186545
-    1SOL     H6    6  -0.134254   0.116777  -0.070410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034770   0.084620  -0.150070
-    0SOL     H2    2   0.020818   0.119175  -0.238238
-    0SOL     H3    3   0.062618   0.160440  -0.098707
-    1SOL     O4    4  -0.041759  -0.090060   0.155366
-    1SOL     H5    5  -0.014811  -0.068993   0.065967
-    1SOL     H6    6   0.034521  -0.133180   0.193894
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040810   0.100276  -0.146594
-    0SOL     H2    2   0.001122   0.182858  -0.174295
-    0SOL     H3    3  -0.033358   0.041188  -0.133554
-    1SOL     O4    4  -0.030551  -0.097252   0.150435
-    1SOL     H5    5  -0.124983  -0.088760   0.137288
-    1SOL     H6    6  -0.008112  -0.181006   0.109887
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.154972  -0.110411  -0.027968
-    0SOL     H2    2  -0.095325  -0.102465  -0.102409
-    0SOL     H3    3  -0.130311  -0.038598   0.030316
-    1SOL     O4    4   0.149041   0.112464   0.028876
-    1SOL     H5    5   0.155813   0.051887  -0.044927
-    1SOL     H6    6   0.156794   0.056826   0.106379
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062356  -0.062591  -0.160343
-    0SOL     H2    2   0.082922   0.025479  -0.128988
-    0SOL     H3    3   0.124328  -0.077739  -0.231704
-    1SOL     O4    4  -0.068283   0.062738   0.167118
-    1SOL     H5    5  -0.020617   0.068368   0.084302
-    1SOL     H6    6  -0.101269  -0.027080   0.169765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023265   0.178397  -0.050526
-    0SOL     H2    2   0.080969   0.104719  -0.030426
-    0SOL     H3    3   0.065480   0.222531  -0.124230
-    1SOL     O4    4  -0.022365  -0.177787   0.053101
-    1SOL     H5    5  -0.075590  -0.117165   0.001580
-    1SOL     H6    6  -0.084437  -0.219260   0.113012
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024274  -0.158434  -0.103328
-    0SOL     H2    2  -0.099361  -0.182215  -0.048934
-    0SOL     H3    3   0.024932  -0.239935  -0.113264
-    1SOL     O4    4   0.028480   0.159055   0.105003
-    1SOL     H5    5   0.001482   0.151658   0.013468
-    1SOL     H6    6   0.005589   0.248681   0.129608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146321   0.117603  -0.071843
-    0SOL     H2    2  -0.147885   0.205984  -0.108567
-    0SOL     H3    3  -0.055396   0.104369  -0.045011
-    1SOL     O4    4   0.139684  -0.115235   0.073206
-    1SOL     H5    5   0.150083  -0.179364   0.143503
-    1SOL     H6    6   0.161576  -0.163344  -0.006598
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149437  -0.126773  -0.056906
-    0SOL     H2    2   0.079741  -0.135263  -0.121966
-    0SOL     H3    3   0.133329  -0.198019   0.004955
-    1SOL     O4    4  -0.146746   0.128394   0.051304
-    1SOL     H5    5  -0.064903   0.110624   0.097653
-    1SOL     H6    6  -0.189285   0.196756   0.103068
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124642  -0.031625  -0.158327
-    0SOL     H2    2   0.148435  -0.074943  -0.240301
-    0SOL     H3    3   0.040208   0.009599  -0.176596
-    1SOL     O4    4  -0.120231   0.031937   0.169889
-    1SOL     H5    5  -0.189532  -0.011663   0.120303
-    1SOL     H6    6  -0.065888   0.074017   0.103268
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.157601   0.019057   0.130083
-    0SOL     H2    2  -0.083198   0.058230   0.175822
-    0SOL     H3    3  -0.234218   0.048289   0.179456
-    1SOL     O4    4   0.158237  -0.029728  -0.134493
-    1SOL     H5    5   0.135260   0.040088  -0.073173
-    1SOL     H6    6   0.162838   0.013696  -0.219672
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132860   0.188540   0.003203
-    0SOL     H2    2  -0.094247   0.200689  -0.083537
-    0SOL     H3    3  -0.099770   0.103643   0.032525
-    1SOL     O4    4   0.124574  -0.178539  -0.002015
-    1SOL     H5    5   0.210853  -0.176918   0.039404
-    1SOL     H6    6   0.101701  -0.271392  -0.006196
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124933   0.144043   0.107168
-    0SOL     H2    2  -0.111887   0.195678   0.186704
-    0SOL     H3    3  -0.212497   0.168191   0.076972
-    1SOL     O4    4   0.132278  -0.150508  -0.114720
-    1SOL     H5    5   0.122563  -0.060290  -0.084245
-    1SOL     H6    6   0.078974  -0.202134  -0.054256
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.219820   0.027295   0.064876
-    0SOL     H2    2   0.176363   0.106857   0.034155
-    0SOL     H3    3   0.279304   0.003458  -0.006228
-    1SOL     O4    4  -0.226512  -0.028975  -0.060390
-    1SOL     H5    5  -0.148863   0.026967  -0.062224
-    1SOL     H6    6  -0.194317  -0.113718  -0.029659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116336   0.059755   0.196433
-    0SOL     H2    2  -0.113160  -0.035886   0.194192
-    0SOL     H3    3  -0.209661   0.080571   0.200849
-    1SOL     O4    4   0.119504  -0.049263  -0.197343
-    1SOL     H5    5   0.202957  -0.089044  -0.222151
-    1SOL     H6    6   0.069828  -0.120654  -0.157372
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034621   0.062145   0.233858
-    0SOL     H2    2   0.034223  -0.018621   0.285228
-    0SOL     H3    3   0.050971   0.033378   0.144039
-    1SOL     O4    4  -0.037822  -0.053662  -0.238214
-    1SOL     H5    5  -0.090706  -0.056199  -0.158470
-    1SOL     H6    6   0.047748  -0.087094  -0.211337
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035112   0.174416   0.156314
-    0SOL     H2    2   0.081249   0.130266   0.227620
-    0SOL     H3    3   0.029371   0.265753   0.184365
-    1SOL     O4    4  -0.035038  -0.178578  -0.168103
-    1SOL     H5    5  -0.090416  -0.103943  -0.145188
-    1SOL     H6    6  -0.023194  -0.225862  -0.085724
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061770  -0.205045   0.104433
-    0SOL     H2    2   0.049151  -0.232852   0.195152
-    0SOL     H3    3   0.067354  -0.286731   0.054849
-    1SOL     O4    4  -0.062811   0.206157  -0.103683
-    1SOL     H5    5  -0.032590   0.290179  -0.069197
-    1SOL     H6    6  -0.065819   0.218821  -0.198513
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036106  -0.040766   0.233879
-    0SOL     H2    2   0.040304   0.037124   0.289358
-    0SOL     H3    3  -0.008755  -0.106085   0.287573
-    1SOL     O4    4  -0.030300   0.034661  -0.243694
-    1SOL     H5    5  -0.108571   0.037803  -0.188685
-    1SOL     H6    6  -0.004870   0.126306  -0.254505
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094004   0.238421  -0.014667
-    0SOL     H2    2   0.040240   0.167369  -0.049643
-    0SOL     H3    3   0.074782   0.313168  -0.071286
-    1SOL     O4    4  -0.090368  -0.243897   0.015169
-    1SOL     H5    5  -0.022204  -0.177073   0.022280
-    1SOL     H6    6  -0.148213  -0.227187   0.089581
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047353   0.248871  -0.007304
-    0SOL     H2    2  -0.050349   0.344543  -0.006912
-    0SOL     H3    3  -0.096935   0.222990   0.070376
-    1SOL     O4    4   0.047968  -0.258192   0.000609
-    1SOL     H5    5   0.132233  -0.213892  -0.009359
-    1SOL     H6    6  -0.001032  -0.203104   0.061656
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077793  -0.197066   0.150362
-    0SOL     H2    2  -0.155700  -0.233328   0.192527
-    0SOL     H3    3  -0.004740  -0.244467   0.190093
-    1SOL     O4    4   0.079641   0.207801  -0.154036
-    1SOL     H5    5   0.107715   0.138811  -0.093915
-    1SOL     H6    6   0.022565   0.163289  -0.216672
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062581   0.275950  -0.017739
-    0SOL     H2    2   0.015714   0.222168  -0.029559
-    0SOL     H3    3  -0.114871   0.228358   0.046783
-    1SOL     O4    4   0.057628  -0.265795   0.018767
-    1SOL     H5    5   0.143135  -0.307210   0.030412
-    1SOL     H6    6   0.033116  -0.286308  -0.071459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104860   0.000761   0.277456
-    0SOL     H2    2   0.014453   0.030940   0.286296
-    0SOL     H3    3   0.135851  -0.008894   0.367504
-    1SOL     O4    4  -0.099704   0.002510  -0.286658
-    1SOL     H5    5  -0.056380  -0.028829  -0.207266
-    1SOL     H6    6  -0.180977  -0.047860  -0.291124
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003572  -0.021880   0.309169
-    0SOL     H2    2  -0.052987  -0.082807   0.261721
-    0SOL     H3    3  -0.004957   0.060762   0.261630
-    1SOL     O4    4  -0.003473   0.025931  -0.304965
-    1SOL     H5    5   0.090534   0.023877  -0.287059
-    1SOL     H6    6  -0.030665  -0.065761  -0.301014
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122210   0.303359   0.177224
-    0SOL     H2    2  -0.120169   0.287506   0.271600
-    0SOL     H3    3  -0.206022   0.267050   0.148597
-    1SOL     O4    4   0.122316  -0.304299  -0.182469
-    1SOL     H5    5   0.209256  -0.300099  -0.222296
-    1SOL     H6    6   0.122235  -0.233960  -0.117548
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.176453  -0.234498   0.261675
-    0SOL     H2    2   0.202517  -0.185327   0.339554
-    0SOL     H3    3   0.087461  -0.264176   0.280699
-    1SOL     O4    4  -0.171094   0.237814  -0.270935
-    1SOL     H5    5  -0.161754   0.238774  -0.175676
-    1SOL     H6    6  -0.213441   0.154126  -0.290054
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116649  -0.353231  -0.135362
-    0SOL     H2    2  -0.124839  -0.395174  -0.221013
-    0SOL     H3    3  -0.025932  -0.369263  -0.109366
-    1SOL     O4    4   0.112588   0.359082   0.132021
-    1SOL     H5    5   0.189842   0.345247   0.186818
-    1SOL     H6    6   0.039218   0.330046   0.186207
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065004  -0.400857  -0.077742
-    0SOL     H2    2  -0.114404  -0.325588  -0.045236
-    0SOL     H3    3   0.007323  -0.410652  -0.015813
-    1SOL     O4    4   0.060329   0.402466   0.076213
-    1SOL     H5    5   0.056779   0.382254  -0.017281
-    1SOL     H6    6   0.123100   0.339672   0.111975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009383  -0.413201  -0.081272
-    0SOL     H2    2   0.099381  -0.444314  -0.091000
-    0SOL     H3    3  -0.044705  -0.487186  -0.108897
-    1SOL     O4    4  -0.006731   0.419693   0.077850
-    1SOL     H5    5  -0.032790   0.341132   0.125928
-    1SOL     H6    6  -0.051253   0.491365   0.123052
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097725  -0.418472  -0.029277
-    0SOL     H2    2   0.035769  -0.382038  -0.092495
-    0SOL     H3    3   0.128596  -0.499472  -0.069877
-    1SOL     O4    4  -0.100334   0.421950   0.029439
-    1SOL     H5    5  -0.046408   0.487795   0.073242
-    1SOL     H6    6  -0.084239   0.341300   0.078416
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108864  -0.058111  -0.413055
-    0SOL     H2    2   0.178783   0.007000  -0.418910
-    0SOL     H3    3   0.114604  -0.106941  -0.495183
-    1SOL     O4    4  -0.118772   0.054573   0.418835
-    1SOL     H5    5  -0.094670   0.146124   0.432974
-    1SOL     H6    6  -0.038232   0.013041   0.388002
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015979   0.216630  -0.374224
-    0SOL     H2    2   0.022451   0.141508  -0.419414
-    0SOL     H3    3  -0.061959   0.264975  -0.442860
-    1SOL     O4    4   0.015227  -0.217804   0.374452
-    1SOL     H5    5   0.093599  -0.231236   0.427741
-    1SOL     H6    6  -0.040857  -0.161662   0.427978
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.198056  -0.308911  -0.276921
-    0SOL     H2    2   0.142145  -0.257636  -0.335290
-    0SOL     H3    3   0.176485  -0.399999  -0.296920
-    1SOL     O4    4  -0.191019   0.306227   0.282883
-    1SOL     H5    5  -0.225486   0.371800   0.343501
-    1SOL     H6    6  -0.211245   0.340896   0.195984
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.138799  -0.223428   0.458598
-    0SOL     H2    2  -0.127799  -0.128379   0.461246
-    0SOL     H3    3  -0.123886  -0.246770   0.366974
-    1SOL     O4    4   0.141306   0.224884  -0.455259
-    1SOL     H5    5   0.070951   0.219772  -0.390557
-    1SOL     H6    6   0.146768   0.136583  -0.491801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.161762  -0.103141  -0.508872
-    0SOL     H2    2   0.148776  -0.160110  -0.584688
-    0SOL     H3    3   0.090217  -0.125655  -0.449401
-    1SOL     O4    4  -0.156667   0.103619   0.515892
-    1SOL     H5    5  -0.085798   0.146982   0.468357
-    1SOL     H6    6  -0.235174   0.122664   0.464547
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.010330  -0.027043   0.542835
-    0SOL     H2    2   0.076184  -0.008906   0.579561
-    0SOL     H3    3  -0.049549  -0.089721   0.603626
-    1SOL     O4    4   0.010682   0.025586  -0.552285
-    1SOL     H5    5  -0.048162   0.005958  -0.479385
-    1SOL     H6    6   0.012585   0.121193  -0.556518
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.365756   0.484576  -0.338345
-    0SOL     H2    2  -0.380668   0.413795  -0.401034
-    0SOL     H3    3  -0.270675   0.495481  -0.336632
-    1SOL     O4    4   0.361508  -0.479817   0.348334
-    1SOL     H5    5   0.363798  -0.418929   0.274512
-    1SOL     H6    6   0.359485  -0.566536   0.307863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.814055   0.341367  -0.077551
-    0SOL     H2    2  -0.797873   0.435637  -0.073859
-    0SOL     H3    3  -0.762775   0.305362  -0.005188
-    1SOL     O4    4   0.811392  -0.342309   0.066878
-    1SOL     H5    5   0.726912  -0.378629   0.093455
-    1SOL     H6    6   0.866195  -0.349337   0.145042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.848883   0.534711   0.138491
-    0SOL     H2    2   0.836288   0.443110   0.113733
-    0SOL     H3    3   0.920959   0.564831   0.083172
-    1SOL     O4    4  -0.853627  -0.525476  -0.130204
-    1SOL     H5    5  -0.770690  -0.549784  -0.171350
-    1SOL     H6    6  -0.913434  -0.596699  -0.152850
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   1.059026   0.357539  -0.355201
-    0SOL     H2    2   0.977993   0.352313  -0.304519
-    0SOL     H3    3   1.085972   0.449105  -0.348001
-    1SOL     O4    4  -1.053200  -0.357555   0.348479
-    1SOL     H5    5  -1.024761  -0.445812   0.372234
-    1SOL     H6    6  -1.137952  -0.347191   0.391746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/400K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   1.169952   0.131060  -0.045462
-    0SOL     H2    2   1.219196   0.152998  -0.124557
-    0SOL     H3    3   1.115382   0.207971  -0.029061
-    1SOL     O4    4  -1.175691  -0.136941   0.049731
-    1SOL     H5    5  -1.114038  -0.184876   0.105080
-    1SOL     H6    6  -1.120389  -0.090034  -0.012749
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120062  -0.034304  -0.039081
-    0SOL     H2    2   0.036947  -0.011772   0.002710
-    0SOL     H3    3   0.116454  -0.129331  -0.049991
-    1SOL     O4    4  -0.109809   0.034936   0.033799
-    1SOL     H5    5  -0.107848   0.128031   0.055976
-    1SOL     H6    6  -0.193716   0.003915   0.067854
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.109897   0.037067   0.064480
-    0SOL     H2    2  -0.157544  -0.045263   0.053811
-    0SOL     H3    3  -0.025002   0.021185   0.023214
-    1SOL     O4    4   0.105851  -0.024944  -0.062939
-    1SOL     H5    5   0.092648  -0.106635  -0.111049
-    1SOL     H6    6   0.153622  -0.050935   0.015831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.100579   0.034337  -0.079303
-    0SOL     H2    2   0.021182  -0.002259  -0.040326
-    0SOL     H3    3   0.080516   0.041224  -0.172643
-    1SOL     O4    4  -0.095316  -0.026378   0.079579
-    1SOL     H5    5  -0.046805  -0.044154   0.160158
-    1SOL     H6    6  -0.131043  -0.111366   0.053831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071902   0.095719  -0.060759
-    0SOL     H2    2   0.072975   0.108020  -0.155679
-    0SOL     H3    3   0.003404   0.030558  -0.045776
-    1SOL     O4    4  -0.069087  -0.090362   0.058657
-    1SOL     H5    5  -0.105125  -0.053208   0.139175
-    1SOL     H6    6  -0.012980  -0.162023   0.088306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057367  -0.000128   0.112546
-    0SOL     H2    2   0.143867  -0.026156   0.144210
-    0SOL     H3    3  -0.003943  -0.042874   0.172347
-    1SOL     O4    4  -0.063323   0.003861  -0.123108
-    1SOL     H5    5   0.030041  -0.017204  -0.124438
-    1SOL     H6    6  -0.079615   0.035080  -0.034101
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000826  -0.084002  -0.093884
-    0SOL     H2    2   0.013556  -0.069305  -0.187369
-    0SOL     H3    3   0.002056  -0.179149  -0.083827
-    1SOL     O4    4  -0.004891   0.094317   0.100661
-    1SOL     H5    5   0.084420   0.077121   0.130496
-    1SOL     H6    6  -0.021826   0.026495   0.035272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063367  -0.003163  -0.119615
-    0SOL     H2    2  -0.039560  -0.029353  -0.030679
-    0SOL     H3    3  -0.047406  -0.081200  -0.172697
-    1SOL     O4    4   0.059987   0.002331   0.116090
-    1SOL     H5    5   0.109422   0.064764   0.062981
-    1SOL     H6    6   0.032034   0.052700   0.192536
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108898   0.084988   0.005096
-    0SOL     H2    2  -0.053932   0.163276   0.008564
-    0SOL     H3    3  -0.047096   0.012747  -0.006041
-    1SOL     O4    4   0.096399  -0.088314  -0.002347
-    1SOL     H5    5   0.122364  -0.073707  -0.093313
-    1SOL     H6    6   0.167953  -0.051215   0.049287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000092   0.127326   0.053984
-    0SOL     H2    2  -0.034588   0.043667   0.022988
-    0SOL     H3    3   0.070408   0.103282   0.114316
-    1SOL     O4    4  -0.005349  -0.118216  -0.051223
-    1SOL     H5    5  -0.015953  -0.209324  -0.078592
-    1SOL     H6    6   0.065103  -0.084567  -0.106600
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104964   0.069470   0.032700
-    0SOL     H2    2  -0.069641   0.151608   0.066876
-    0SOL     H3    3  -0.150801   0.030285   0.107036
-    1SOL     O4    4   0.102954  -0.076659  -0.043132
-    1SOL     H5    5   0.050600  -0.018419   0.011909
-    1SOL     H6    6   0.193654  -0.054334  -0.022217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122092   0.043669  -0.041158
-    0SOL     H2    2  -0.151046   0.132135  -0.018846
-    0SOL     H3    3  -0.031924   0.039190  -0.009347
-    1SOL     O4    4   0.114343  -0.042441   0.037275
-    1SOL     H5    5   0.200691  -0.053346  -0.002567
-    1SOL     H6    6   0.104375  -0.118737   0.094213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067418  -0.042459  -0.099642
-    0SOL     H2    2   0.095728   0.012629  -0.172623
-    0SOL     H3    3   0.038576  -0.123906  -0.140834
-    1SOL     O4    4  -0.070555   0.039508   0.110284
-    1SOL     H5    5  -0.058187   0.132260   0.130440
-    1SOL     H6    6  -0.026619   0.027167   0.026143
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074039  -0.102990   0.037549
-    0SOL     H2    2   0.038390  -0.189704   0.056843
-    0SOL     H3    3   0.098029  -0.106960  -0.055031
-    1SOL     O4    4  -0.079876   0.109316  -0.035095
-    1SOL     H5    5  -0.000997   0.156437  -0.061932
-    1SOL     H6    6  -0.048282   0.042016   0.025194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118426   0.025798   0.058809
-    0SOL     H2    2   0.136135   0.002061   0.149833
-    0SOL     H3    3   0.047465   0.089822   0.064073
-    1SOL     O4    4  -0.118942  -0.025903  -0.069727
-    1SOL     H5    5  -0.024827  -0.043065  -0.066558
-    1SOL     H6    6  -0.150945  -0.051582   0.016752
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098795   0.086574  -0.011547
-    0SOL     H2    2  -0.136243   0.114087  -0.095231
-    0SOL     H3    3  -0.042060   0.159175   0.014384
-    1SOL     O4    4   0.103150  -0.091814   0.010458
-    1SOL     H5    5   0.086930  -0.160178   0.075463
-    1SOL     H6    6   0.028043  -0.032987   0.018247
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045717   0.102171   0.064039
-    0SOL     H2    2   0.050337   0.195780   0.083492
-    0SOL     H3    3   0.135860   0.071290   0.073147
-    1SOL     O4    4  -0.050469  -0.111579  -0.061707
-    1SOL     H5    5  -0.045761  -0.020444  -0.032816
-    1SOL     H6    6  -0.067831  -0.106098  -0.155679
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.087032  -0.090983  -0.040555
-    0SOL     H2    2  -0.109470  -0.183231  -0.052770
-    0SOL     H3    3  -0.101106  -0.075015   0.052769
-    1SOL     O4    4   0.088752   0.100684   0.039142
-    1SOL     H5    5   0.018230   0.050735  -0.002016
-    1SOL     H6    6   0.168507   0.053001   0.016168
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060609  -0.128096  -0.008100
-    0SOL     H2    2   0.111874  -0.074306  -0.068440
-    0SOL     H3    3   0.017019  -0.065001   0.049183
-    1SOL     O4    4  -0.055233   0.123656   0.005544
-    1SOL     H5    5  -0.075441   0.111848   0.098359
-    1SOL     H6    6  -0.133198   0.092157  -0.040188
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070716  -0.096171  -0.055457
-    0SOL     H2    2  -0.139881  -0.158500  -0.033242
-    0SOL     H3    3  -0.100786  -0.054782  -0.136359
-    1SOL     O4    4   0.081994   0.098120   0.060134
-    1SOL     H5    5   0.034623   0.025209   0.020107
-    1SOL     H6    6   0.016266   0.167033   0.069785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051605   0.035669   0.117374
-    0SOL     H2    2   0.145560   0.035061   0.099086
-    0SOL     H3    3   0.042461  -0.015565   0.197710
-    1SOL     O4    4  -0.062326  -0.036005  -0.122539
-    1SOL     H5    5   0.017682  -0.033617  -0.175031
-    1SOL     H6    6  -0.039725   0.010866  -0.042198
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010356  -0.081875   0.113594
-    0SOL     H2    2  -0.020924  -0.030922   0.033254
-    0SOL     H3    3  -0.098262  -0.085780   0.151273
-    1SOL     O4    4   0.012430   0.078762  -0.106122
-    1SOL     H5    5  -0.000466   0.038547  -0.192022
-    1SOL     H6    6   0.096884   0.123301  -0.112910
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066572  -0.122557   0.014034
-    0SOL     H2    2   0.037396  -0.032580   0.028700
-    0SOL     H3    3   0.130153  -0.138828   0.083713
-    1SOL     O4    4  -0.063909   0.115882  -0.013794
-    1SOL     H5    5  -0.150407   0.083787  -0.039293
-    1SOL     H6    6  -0.048821   0.191672  -0.070279
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080562   0.075837   0.072747
-    0SOL     H2    2   0.165642   0.060768   0.031557
-    0SOL     H3    3   0.101658   0.111274   0.159127
-    1SOL     O4    4  -0.086023  -0.083238  -0.077332
-    1SOL     H5    5  -0.132128  -0.011571  -0.120927
-    1SOL     H6    6  -0.045823  -0.042694  -0.000504
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123307   0.051958  -0.054981
-    0SOL     H2    2  -0.031090   0.047394  -0.029734
-    0SOL     H3    3  -0.171254   0.039982   0.026995
-    1SOL     O4    4   0.117250  -0.049932   0.043248
-    1SOL     H5    5   0.087669  -0.078006   0.129845
-    1SOL     H6    6   0.212024  -0.040024   0.052307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061279  -0.117899   0.031296
-    0SOL     H2    2  -0.039174  -0.115599   0.124400
-    0SOL     H3    3  -0.155855  -0.132535   0.029439
-    1SOL     O4    4   0.066596   0.125155  -0.040023
-    1SOL     H5    5  -0.010314   0.068198  -0.038255
-    1SOL     H6    6   0.132259   0.078422   0.011616
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031240   0.069385   0.118572
-    0SOL     H2    2   0.016486   0.156495   0.155403
-    0SOL     H3    3   0.041180   0.084444   0.024568
-    1SOL     O4    4  -0.031268  -0.070303  -0.120243
-    1SOL     H5    5  -0.042704  -0.164764  -0.130673
-    1SOL     H6    6  -0.014747  -0.058312  -0.026725
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097555   0.063940   0.076231
-    0SOL     H2    2  -0.176188   0.009490   0.080031
-    0SOL     H3    3  -0.116573   0.128867   0.008518
-    1SOL     O4    4   0.105055  -0.070517  -0.070428
-    1SOL     H5    5   0.016000  -0.036499  -0.061812
-    1SOL     H6    6   0.152643  -0.001693  -0.116915
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002079  -0.079926   0.122724
-    0SOL     H2    2  -0.017981  -0.035050   0.039684
-    0SOL     H3    3  -0.027370  -0.016300   0.189615
-    1SOL     O4    4   0.006123   0.071115  -0.116313
-    1SOL     H5    5  -0.061972   0.137525  -0.127043
-    1SOL     H6    6   0.039489   0.056437  -0.204821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055890  -0.125653   0.049347
-    0SOL     H2    2  -0.004555  -0.157298   0.116484
-    0SOL     H3    3   0.025485  -0.037086   0.029503
-    1SOL     O4    4  -0.050042   0.120367  -0.045151
-    1SOL     H5    5   0.005213   0.181099  -0.094354
-    1SOL     H6    6  -0.116496   0.092103  -0.107979
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086203   0.046202  -0.110312
-    0SOL     H2    2  -0.038405   0.022759  -0.030763
-    0SOL     H3    3  -0.166596   0.087455  -0.078727
-    1SOL     O4    4   0.081846  -0.046358   0.102499
-    1SOL     H5    5   0.131981  -0.009914   0.175442
-    1SOL     H6    6   0.145773  -0.096963   0.052351
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068251   0.131687  -0.001463
-    0SOL     H2    2  -0.010790   0.055140  -0.002530
-    0SOL     H3    3  -0.084785   0.150572  -0.093834
-    1SOL     O4    4   0.065296  -0.121446   0.005810
-    1SOL     H5    5   0.039482  -0.161009   0.089061
-    1SOL     H6    6   0.097025  -0.194834  -0.046820
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120712  -0.092369   0.002898
-    0SOL     H2    2  -0.108303  -0.019855  -0.058339
-    0SOL     H3    3  -0.055573  -0.077341   0.071406
-    1SOL     O4    4   0.117117   0.082431   0.001775
-    1SOL     H5    5   0.090492   0.174127   0.008496
-    1SOL     H6    6   0.124199   0.066333  -0.092316
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118632   0.067465  -0.063755
-    0SOL     H2    2   0.175310   0.036549   0.006914
-    0SOL     H3    3   0.030354   0.064181  -0.026896
-    1SOL     O4    4  -0.112683  -0.062678   0.056684
-    1SOL     H5    5  -0.202895  -0.031507   0.063922
-    1SOL     H6    6  -0.114857  -0.151139   0.093186
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046453  -0.028024   0.130705
-    0SOL     H2    2  -0.077497   0.013707   0.211061
-    0SOL     H3    3  -0.103311  -0.104242   0.119733
-    1SOL     O4    4   0.046105   0.029227  -0.138152
-    1SOL     H5    5   0.125745   0.075639  -0.163950
-    1SOL     H6    6   0.065300  -0.004586  -0.050684
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.125357  -0.073124  -0.040282
-    0SOL     H2    2  -0.175578  -0.110089   0.032338
-    0SOL     H3    3  -0.043201  -0.044367  -0.000460
-    1SOL     O4    4   0.119322   0.073178   0.038517
-    1SOL     H5    5   0.189860   0.012148   0.017022
-    1SOL     H6    6   0.125910   0.141816  -0.027873
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088037  -0.016451   0.120759
-    0SOL     H2    2   0.116029  -0.106038   0.139544
-    0SOL     H3    3   0.039555  -0.023206   0.038503
-    1SOL     O4    4  -0.080882   0.020273  -0.114470
-    1SOL     H5    5  -0.105836  -0.000034  -0.204621
-    1SOL     H6    6  -0.157080   0.065324  -0.078046
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050898  -0.055441   0.128941
-    0SOL     H2    2  -0.006708   0.012424   0.164130
-    0SOL     H3    3   0.131680  -0.009172   0.106671
-    1SOL     O4    4  -0.053213   0.048584  -0.135824
-    1SOL     H5    5  -0.073335   0.118621  -0.073759
-    1SOL     H6    6  -0.016254  -0.021357  -0.081929
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055690  -0.093094   0.097549
-    0SOL     H2    2  -0.142031  -0.052458   0.090044
-    0SOL     H3    3  -0.027276  -0.072792   0.186672
-    1SOL     O4    4   0.062942   0.086225  -0.107321
-    1SOL     H5    5   0.065967   0.179187  -0.084713
-    1SOL     H6    6  -0.006604   0.050368  -0.052185
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018109   0.101652   0.108163
-    0SOL     H2    2  -0.032613   0.040273   0.180167
-    0SOL     H3    3  -0.093735   0.160261   0.110987
-    1SOL     O4    4   0.021506  -0.107375  -0.115239
-    1SOL     H5    5   0.032552  -0.096384  -0.020796
-    1SOL     H6    6   0.035838  -0.019921  -0.151416
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.143165  -0.022923  -0.049582
-    0SOL     H2    2   0.166916   0.046570   0.011810
-    0SOL     H3    3   0.143004   0.019763  -0.135257
-    1SOL     O4    4  -0.149339   0.012429   0.054757
-    1SOL     H5    5  -0.146489   0.107152   0.041273
-    1SOL     H6    6  -0.073010  -0.020840   0.007540
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104689  -0.120667  -0.009511
-    0SOL     H2    2  -0.049386  -0.187925  -0.049265
-    0SOL     H3    3  -0.045022  -0.047963   0.008272
-    1SOL     O4    4   0.094319   0.115393   0.010582
-    1SOL     H5    5   0.175624   0.130942   0.058646
-    1SOL     H6    6   0.073480   0.199880  -0.029292
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099843  -0.069751  -0.089407
-    0SOL     H2    2   0.195031  -0.066944  -0.079733
-    0SOL     H3    3   0.085179  -0.065242  -0.183890
-    1SOL     O4    4  -0.104567   0.072394   0.099839
-    1SOL     H5    5  -0.034436   0.019295   0.062098
-    1SOL     H6    6  -0.174566   0.069565   0.034613
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.136541   0.025119   0.068443
-    0SOL     H2    2   0.124694  -0.025021   0.149115
-    0SOL     H3    3   0.158748   0.113382   0.098087
-    1SOL     O4    4  -0.140187  -0.024531  -0.079002
-    1SOL     H5    5  -0.051468  -0.059922  -0.085232
-    1SOL     H6    6  -0.167357  -0.043540   0.010791
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077459   0.129757  -0.043100
-    0SOL     H2    2  -0.024501   0.157681   0.031587
-    0SOL     H3    3  -0.159422   0.178336  -0.033902
-    1SOL     O4    4   0.077397  -0.140927   0.039300
-    1SOL     H5    5   0.081329  -0.074198   0.107813
-    1SOL     H6    6   0.103063  -0.094852  -0.040579
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073495  -0.094839  -0.113324
-    0SOL     H2    2   0.012274  -0.045117  -0.059084
-    0SOL     H3    3   0.080310  -0.179918  -0.069994
-    1SOL     O4    4  -0.071135   0.091234   0.103977
-    1SOL     H5    5  -0.125285   0.126153   0.174764
-    1SOL     H6    6  -0.000532   0.155098   0.094030
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038788   0.135299  -0.087237
-    0SOL     H2    2  -0.003059   0.142668  -0.173009
-    0SOL     H3    3   0.029015   0.043056  -0.063611
-    1SOL     O4    4  -0.033569  -0.125370   0.092980
-    1SOL     H5    5  -0.121941  -0.140338   0.059383
-    1SOL     H6    6   0.010520  -0.209740   0.082974
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077365  -0.004249  -0.146781
-    0SOL     H2    2  -0.022134  -0.044347  -0.213892
-    0SOL     H3    3  -0.017441   0.014784  -0.074606
-    1SOL     O4    4   0.070977   0.010341   0.142261
-    1SOL     H5    5   0.058902   0.015530   0.237074
-    1SOL     H6    6   0.080296  -0.083224   0.124341
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000529  -0.107197   0.115751
-    0SOL     H2    2  -0.069198  -0.094740   0.180134
-    0SOL     H3    3   0.031803  -0.196337   0.131188
-    1SOL     O4    4   0.003571   0.117466  -0.117689
-    1SOL     H5    5   0.009611   0.028559  -0.082740
-    1SOL     H6    6  -0.029985   0.106069  -0.206607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.166138  -0.001357  -0.028177
-    0SOL     H2    2   0.125072   0.045248  -0.101005
-    0SOL     H3    3   0.174819  -0.091490  -0.059208
-    1SOL     O4    4  -0.171227   0.002269   0.036011
-    1SOL     H5    5  -0.118268   0.078072   0.060740
-    1SOL     H6    6  -0.114491  -0.048846  -0.021701
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066898  -0.151753  -0.037472
-    0SOL     H2    2  -0.047399  -0.199500  -0.118109
-    0SOL     H3    3  -0.011820  -0.193254   0.028908
-    1SOL     O4    4   0.058320   0.155157   0.034738
-    1SOL     H5    5   0.072301   0.143531   0.128715
-    1SOL     H6    6   0.139917   0.193797   0.002936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097603   0.125956  -0.074248
-    0SOL     H2    2  -0.079684   0.150347  -0.165057
-    0SOL     H3    3  -0.030518   0.171587  -0.023457
-    1SOL     O4    4   0.096492  -0.135802   0.077158
-    1SOL     H5    5   0.125299  -0.044559   0.074479
-    1SOL     H6    6   0.000973  -0.130934   0.073323
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122142  -0.098717  -0.090947
-    0SOL     H2    2   0.054532  -0.126065  -0.028954
-    0SOL     H3    3   0.201497  -0.143109  -0.061040
-    1SOL     O4    4  -0.119722   0.108024   0.086531
-    1SOL     H5    5  -0.181634   0.086797   0.016683
-    1SOL     H6    6  -0.114211   0.028050   0.138839
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079411  -0.024174   0.155364
-    0SOL     H2    2  -0.151833  -0.080925   0.181759
-    0SOL     H3    3  -0.021891  -0.021537   0.231829
-    1SOL     O4    4   0.086223   0.027384  -0.162683
-    1SOL     H5    5   0.020731  -0.037095  -0.189437
-    1SOL     H6    6   0.038117   0.088909  -0.107340
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042998   0.178604  -0.031639
-    0SOL     H2    2   0.106691   0.152200   0.034755
-    0SOL     H3    3  -0.042134   0.163739   0.009519
-    1SOL     O4    4  -0.040185  -0.170243   0.028228
-    1SOL     H5    5   0.003563  -0.220751  -0.040309
-    1SOL     H6    6  -0.113431  -0.225424   0.055657
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125469   0.142377   0.009059
-    0SOL     H2    2   0.053717   0.089662   0.044203
-    0SOL     H3    3   0.145546   0.102254  -0.075496
-    1SOL     O4    4  -0.125120  -0.137382  -0.001058
-    1SOL     H5    5  -0.077390  -0.209629  -0.041856
-    1SOL     H6    6  -0.125368  -0.068322  -0.067339
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079482   0.158563   0.079005
-    0SOL     H2    2   0.014422   0.145350   0.065976
-    0SOL     H3    3  -0.117949   0.144325  -0.007481
-    1SOL     O4    4   0.081767  -0.153410  -0.075258
-    1SOL     H5    5  -0.006388  -0.148661  -0.112249
-    1SOL     H6    6   0.076861  -0.223721  -0.010492
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031719  -0.007600  -0.185572
-    0SOL     H2    2  -0.035653  -0.098746  -0.156602
-    0SOL     H3    3  -0.002069  -0.012561  -0.276449
-    1SOL     O4    4   0.033708   0.016519   0.193742
-    1SOL     H5    5   0.065653  -0.023027   0.112638
-    1SOL     H6    6  -0.060168  -0.002173   0.194205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002405   0.080768  -0.177606
-    0SOL     H2    2   0.009052   0.175692  -0.182132
-    0SOL     H3    3  -0.013200   0.062320  -0.084303
-    1SOL     O4    4   0.002676  -0.081601   0.166336
-    1SOL     H5    5   0.064075  -0.146621   0.200466
-    1SOL     H6    6  -0.067732  -0.078752   0.231119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000571  -0.195365   0.013677
-    0SOL     H2    2  -0.023459  -0.109606  -0.022154
-    0SOL     H3    3  -0.028455  -0.257641  -0.053453
-    1SOL     O4    4   0.003299   0.195216  -0.014916
-    1SOL     H5    5  -0.033942   0.119757   0.030706
-    1SOL     H6    6   0.038247   0.250612   0.054885
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077136   0.167258   0.085033
-    0SOL     H2    2   0.164646   0.139403   0.058044
-    0SOL     H3    3   0.020848   0.144630   0.010993
-    1SOL     O4    4  -0.075080  -0.158548  -0.081412
-    1SOL     H5    5  -0.083757  -0.191899   0.007890
-    1SOL     H6    6  -0.126239  -0.219328  -0.134805
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139627  -0.120590  -0.091491
-    0SOL     H2    2  -0.217983  -0.086584  -0.048289
-    0SOL     H3    3  -0.076812  -0.133648  -0.020455
-    1SOL     O4    4   0.134174   0.116807   0.087709
-    1SOL     H5    5   0.216042   0.131889   0.134958
-    1SOL     H6    6   0.152284   0.146039  -0.001621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031011   0.203170  -0.016731
-    0SOL     H2    2   0.058446   0.224508   0.009808
-    0SOL     H3    3  -0.073956   0.175065   0.064066
-    1SOL     O4    4   0.031409  -0.196859   0.009470
-    1SOL     H5    5   0.033524  -0.263983   0.077677
-    1SOL     H6    6  -0.028448  -0.231675  -0.056615
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.196729  -0.055527   0.072856
-    0SOL     H2    2  -0.170888   0.035241   0.056864
-    0SOL     H3    3  -0.114668  -0.104717   0.069904
-    1SOL     O4    4   0.188886   0.052706  -0.065976
-    1SOL     H5    5   0.138233   0.017624  -0.139228
-    1SOL     H6    6   0.263503   0.096328  -0.107106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038512   0.089667   0.183897
-    0SOL     H2    2   0.018350   0.153115   0.115120
-    0SOL     H3    3   0.069544   0.142802   0.257218
-    1SOL     O4    4  -0.036431  -0.090366  -0.186894
-    1SOL     H5    5  -0.130374  -0.106960  -0.179043
-    1SOL     H6    6   0.004861  -0.165838  -0.144926
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116418  -0.026276   0.172350
-    0SOL     H2    2   0.201781  -0.068746   0.163877
-    0SOL     H3    3   0.133811   0.066235   0.154983
-    1SOL     O4    4  -0.124562   0.028542  -0.165995
-    1SOL     H5    5  -0.121380  -0.066397  -0.154215
-    1SOL     H6    6  -0.091705   0.042825  -0.254757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103137   0.065370   0.178046
-    0SOL     H2    2  -0.044945   0.140089   0.164149
-    0SOL     H3    3  -0.051625   0.004317   0.230784
-    1SOL     O4    4   0.099002  -0.062358  -0.176845
-    1SOL     H5    5   0.015018  -0.104249  -0.158025
-    1SOL     H6    6   0.128540  -0.103281  -0.258179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036693   0.150833   0.142094
-    0SOL     H2    2  -0.025818   0.239678   0.176015
-    0SOL     H3    3  -0.086998   0.105346   0.209642
-    1SOL     O4    4   0.043099  -0.156281  -0.143246
-    1SOL     H5    5   0.033990  -0.062231  -0.158542
-    1SOL     H6    6  -0.013802  -0.196854  -0.208656
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033672   0.088975  -0.199666
-    0SOL     H2    2  -0.113839   0.101648  -0.148923
-    0SOL     H3    3   0.018168   0.167629  -0.182682
-    1SOL     O4    4   0.030259  -0.098111   0.197113
-    1SOL     H5    5   0.104671  -0.118955   0.140628
-    1SOL     H6    6   0.047575  -0.009093   0.227744
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021194   0.207306   0.095603
-    0SOL     H2    2  -0.067443   0.237794   0.076207
-    0SOL     H3    3   0.057957   0.184513   0.010214
-    1SOL     O4    4  -0.018385  -0.212388  -0.094823
-    1SOL     H5    5   0.049472  -0.149840  -0.069415
-    1SOL     H6    6  -0.090372  -0.195738  -0.033971
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091884   0.169543  -0.113689
-    0SOL     H2    2  -0.128087   0.225548  -0.045022
-    0SOL     H3    3  -0.084670   0.226811  -0.190047
-    1SOL     O4    4   0.091337  -0.180630   0.116508
-    1SOL     H5    5   0.069208  -0.088501   0.130108
-    1SOL     H6    6   0.159472  -0.179275   0.049292
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001678   0.218612   0.096644
-    0SOL     H2    2  -0.047245   0.221505   0.012515
-    0SOL     H3    3   0.087308   0.247734   0.076753
-    1SOL     O4    4   0.004514  -0.216783  -0.093285
-    1SOL     H5    5  -0.063297  -0.194146  -0.029633
-    1SOL     H6    6  -0.020107  -0.303800  -0.124657
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.173566   0.154199  -0.072444
-    0SOL     H2    2   0.200738   0.234290  -0.027616
-    0SOL     H3    3   0.189563   0.084486  -0.008832
-    1SOL     O4    4  -0.172411  -0.154745   0.061771
-    1SOL     H5    5  -0.196300  -0.231186   0.114195
-    1SOL     H6    6  -0.213191  -0.080912   0.107027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034235   0.209294  -0.115697
-    0SOL     H2    2  -0.010364   0.252773  -0.188380
-    0SOL     H3    3   0.125250   0.201855  -0.144389
-    1SOL     O4    4  -0.035617  -0.215470   0.116559
-    1SOL     H5    5  -0.065237  -0.124696   0.109850
-    1SOL     H6    6  -0.027199  -0.231078   0.210623
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109569  -0.072355  -0.208560
-    0SOL     H2    2   0.153565  -0.093457  -0.126211
-    0SOL     H3    3   0.171245  -0.015676  -0.254883
-    1SOL     O4    4  -0.109105   0.069735   0.204211
-    1SOL     H5    5  -0.180993   0.123929   0.171692
-    1SOL     H6    6  -0.144212   0.027971   0.282859
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077858   0.152501   0.185532
-    0SOL     H2    2   0.132892   0.087489   0.141862
-    0SOL     H3    3   0.004849   0.101993   0.221320
-    1SOL     O4    4  -0.075604  -0.149936  -0.190310
-    1SOL     H5    5  -0.149575  -0.090984  -0.175637
-    1SOL     H6    6  -0.019280  -0.137231  -0.113966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.131526  -0.138651  -0.161971
-    0SOL     H2    2  -0.062464  -0.179985  -0.213781
-    0SOL     H3    3  -0.171135  -0.210697  -0.112953
-    1SOL     O4    4   0.130944   0.139305   0.159333
-    1SOL     H5    5   0.143310   0.226868   0.122697
-    1SOL     H6    6   0.095063   0.154703   0.246727
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028076   0.092039  -0.236004
-    0SOL     H2    2  -0.103849   0.104145  -0.293225
-    0SOL     H3    3  -0.062907   0.102685  -0.147484
-    1SOL     O4    4   0.034859  -0.088621   0.237717
-    1SOL     H5    5   0.095398  -0.162627   0.233186
-    1SOL     H6    6  -0.031413  -0.107729   0.171345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.217794   0.051777  -0.141862
-    0SOL     H2    2  -0.127696   0.070752  -0.168026
-    0SOL     H3    3  -0.259961   0.137574  -0.137047
-    1SOL     O4    4   0.217549  -0.054325   0.147241
-    1SOL     H5    5   0.158218  -0.030945   0.075858
-    1SOL     H6    6   0.227515  -0.149253   0.140047
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075234   0.199371  -0.175965
-    0SOL     H2    2   0.093282   0.255439  -0.100513
-    0SOL     H3    3   0.023903   0.254458  -0.235066
-    1SOL     O4    4  -0.077699  -0.202535   0.170154
-    1SOL     H5    5   0.000578  -0.159830   0.204957
-    1SOL     H6    6  -0.085275  -0.283540   0.220583
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031064  -0.173942  -0.243424
-    0SOL     H2    2   0.032380  -0.082585  -0.214885
-    0SOL     H3    3   0.042999  -0.169621  -0.338299
-    1SOL     O4    4  -0.030033   0.169663   0.241167
-    1SOL     H5    5  -0.114758   0.137592   0.272075
-    1SOL     H6    6   0.021315   0.182502   0.320923
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041066  -0.275168  -0.158164
-    0SOL     H2    2  -0.036839  -0.328547  -0.142553
-    0SOL     H3    3   0.077603  -0.259969  -0.071006
-    1SOL     O4    4  -0.039116   0.270134   0.153135
-    1SOL     H5    5  -0.100877   0.338999   0.177742
-    1SOL     H6    6   0.031957   0.316385   0.108730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004723  -0.344950   0.003615
-    0SOL     H2    2  -0.090918  -0.344471   0.007459
-    0SOL     H3    3   0.025081  -0.379981  -0.083106
-    1SOL     O4    4  -0.000575   0.351002   0.005683
-    1SOL     H5    5   0.026444   0.358648  -0.085826
-    1SOL     H6    6  -0.031225   0.260722   0.014193
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097083  -0.089334   0.321540
-    0SOL     H2    2   0.153924  -0.016612   0.296184
-    0SOL     H3    3   0.093543  -0.084841   0.417089
-    1SOL     O4    4  -0.096020   0.083135  -0.321324
-    1SOL     H5    5  -0.093660   0.151735  -0.388038
-    1SOL     H6    6  -0.179906   0.039138  -0.335099
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023160  -0.396349   0.181784
-    0SOL     H2    2  -0.032638  -0.432172   0.112751
-    0SOL     H3    3   0.106283  -0.442789   0.171973
-    1SOL     O4    4  -0.025533   0.403383  -0.170164
-    1SOL     H5    5   0.054666   0.377477  -0.215545
-    1SOL     H6    6  -0.093930   0.397101  -0.236832
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.309198  -0.270368   0.278299
-    0SOL     H2    2  -0.242955  -0.243862   0.214491
-    0SOL     H3    3  -0.307452  -0.201476   0.344730
-    1SOL     O4    4   0.301369   0.263531  -0.274221
-    1SOL     H5    5   0.360914   0.206438  -0.322772
-    1SOL     H6    6   0.320233   0.351418  -0.307120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.282685  -0.180169  -0.394725
-    0SOL     H2    2  -0.255198  -0.190285  -0.303596
-    0SOL     H3    3  -0.210691  -0.132807  -0.436391
-    1SOL     O4    4   0.281606   0.180470   0.387537
-    1SOL     H5    5   0.194364   0.146471   0.367659
-    1SOL     H6    6   0.289378   0.172507   0.482608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.475617   0.102239  -0.205250
-    0SOL     H2    2  -0.504854   0.093803  -0.114496
-    0SOL     H3    3  -0.435125   0.188871  -0.209464
-    1SOL     O4    4   0.470822  -0.112044   0.199165
-    1SOL     H5    5   0.449122  -0.019155   0.191219
-    1SOL     H6    6   0.562262  -0.112993   0.227454
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.323337  -0.379603  -0.701422
-    0SOL     H2    2  -0.288483  -0.366307  -0.789574
-    0SOL     H3    3  -0.263597  -0.331168  -0.644436
-    1SOL     O4    4   0.322479   0.380542   0.702305
-    1SOL     H5    5   0.238364   0.388978   0.747202
-    1SOL     H6    6   0.323282   0.290607   0.669543
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.843467   0.257505   0.295011
-    0SOL     H2    2   0.844003   0.333404   0.236690
-    0SOL     H3    3   0.753076   0.226097   0.292696
-    1SOL     O4    4  -0.840710  -0.253024  -0.292728
-    1SOL     H5    5  -0.894871  -0.330845  -0.305876
-    1SOL     H6    6  -0.754418  -0.287454  -0.269695
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/410K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.659395  -0.738870  -0.234141
-    0SOL     H2    2  -0.729425  -0.689736  -0.277083
-    0SOL     H3    3  -0.584199  -0.679659  -0.235527
-    1SOL     O4    4   0.656803   0.735561   0.242196
-    1SOL     H5    5   0.708483   0.655341   0.234703
-    1SOL     H6    6   0.648465   0.767227   0.152251
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057551  -0.017849   0.116396
-    0SOL     H2    2  -0.006048  -0.026432   0.196621
-    0SOL     H3    3   0.004346   0.015870   0.051633
-    1SOL     O4    4   0.054384   0.015241  -0.112002
-    1SOL     H5    5  -0.033686  -0.013742  -0.135794
-    1SOL     H6    6   0.083794   0.066785  -0.187106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042421  -0.059086  -0.100254
-    0SOL     H2    2  -0.114937  -0.023281  -0.151457
-    0SOL     H3    3  -0.041450  -0.152309  -0.121955
-    1SOL     O4    4   0.042577   0.067619   0.105017
-    1SOL     H5    5   0.030076  -0.006707   0.046011
-    1SOL     H6    6   0.122944   0.047086   0.152785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093485   0.101013  -0.012309
-    0SOL     H2    2  -0.003202   0.082539  -0.038194
-    0SOL     H3    3  -0.135141   0.014970  -0.007443
-    1SOL     O4    4   0.087386  -0.096804   0.008347
-    1SOL     H5    5   0.050175  -0.078238   0.094562
-    1SOL     H6    6   0.180410  -0.076148   0.017404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028721  -0.048122   0.114599
-    0SOL     H2    2   0.120291  -0.040561   0.141435
-    0SOL     H3    3   0.009153  -0.141521   0.122084
-    1SOL     O4    4  -0.027541   0.055315  -0.120554
-    1SOL     H5    5  -0.120287   0.048137  -0.143116
-    1SOL     H6    6  -0.022244   0.023560  -0.030410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054901   0.046678   0.103311
-    0SOL     H2    2  -0.040167  -0.015956   0.174179
-    0SOL     H3    3  -0.096165   0.121823   0.145889
-    1SOL     O4    4   0.053030  -0.050961  -0.113962
-    1SOL     H5    5   0.024895  -0.006476  -0.034013
-    1SOL     H6    6   0.145504  -0.027939  -0.122961
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001348  -0.115400   0.063372
-    0SOL     H2    2   0.077810  -0.131440   0.008068
-    0SOL     H3    3  -0.067123  -0.171150   0.026412
-    1SOL     O4    4   0.001480   0.123212  -0.062867
-    1SOL     H5    5  -0.012623   0.152361   0.027209
-    1SOL     H6    6  -0.039458   0.036778  -0.066809
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061068  -0.026281   0.113867
-    0SOL     H2    2   0.015027  -0.109993   0.119760
-    0SOL     H3    3   0.028330   0.024397   0.188179
-    1SOL     O4    4  -0.053806   0.029035  -0.125758
-    1SOL     H5    5  -0.144246   0.019605  -0.095859
-    1SOL     H6    6  -0.001381   0.023072  -0.045893
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034672   0.121338   0.037392
-    0SOL     H2    2  -0.036245   0.181096   0.013685
-    0SOL     H3    3   0.029785   0.114937   0.132773
-    1SOL     O4    4  -0.036266  -0.125122  -0.042779
-    1SOL     H5    5   0.008299  -0.051400  -0.001051
-    1SOL     H6    6   0.034346  -0.184401  -0.068514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055895  -0.084807   0.086687
-    0SOL     H2    2  -0.095342   0.000564   0.104518
-    0SOL     H3    3  -0.130425  -0.143851   0.075671
-    1SOL     O4    4   0.068140   0.085481  -0.090140
-    1SOL     H5    5   0.059889   0.006573  -0.036588
-    1SOL     H6    6  -0.019309   0.124391  -0.089176
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099194  -0.022523  -0.087860
-    0SOL     H2    2  -0.162381  -0.007371  -0.017574
-    0SOL     H3    3  -0.106775   0.054637  -0.143994
-    1SOL     O4    4   0.106485   0.022602   0.083990
-    1SOL     H5    5   0.116657  -0.013146   0.172200
-    1SOL     H6    6   0.038128  -0.031185   0.044033
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045769  -0.095574  -0.083705
-    0SOL     H2    2   0.140693  -0.084653  -0.089417
-    0SOL     H3    3   0.032698  -0.152728  -0.008042
-    1SOL     O4    4  -0.057300   0.100641   0.082023
-    1SOL     H5    5   0.022304   0.152387   0.069859
-    1SOL     H6    6  -0.035422   0.014332   0.046887
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067137   0.122778  -0.014295
-    0SOL     H2    2  -0.000484   0.054144  -0.017323
-    0SOL     H3    3  -0.066498   0.160744  -0.102162
-    1SOL     O4    4   0.060643  -0.119347   0.014086
-    1SOL     H5    5   0.017181  -0.145902   0.095130
-    1SOL     H6    6   0.154095  -0.124862   0.034050
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071622   0.124637   0.009285
-    0SOL     H2    2  -0.007853   0.150114   0.075969
-    0SOL     H3    3  -0.030442   0.051393  -0.036561
-    1SOL     O4    4   0.063645  -0.115555  -0.011093
-    1SOL     H5    5   0.140512  -0.146246   0.036989
-    1SOL     H6    6   0.022420  -0.195446  -0.043959
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066639   0.091929  -0.074771
-    0SOL     H2    2   0.156413   0.097817  -0.042086
-    0SOL     H3    3   0.075310   0.053259  -0.161902
-    1SOL     O4    4  -0.073430  -0.085129   0.082532
-    1SOL     H5    5  -0.104711  -0.175387   0.076421
-    1SOL     H6    6  -0.013884  -0.075284   0.008238
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104065   0.089618   0.032869
-    0SOL     H2    2  -0.042645   0.034772  -0.015936
-    0SOL     H3    3  -0.171393   0.112971  -0.031037
-    1SOL     O4    4   0.104353  -0.081941  -0.029184
-    1SOL     H5    5   0.118740  -0.163463  -0.077240
-    1SOL     H6    6   0.095641  -0.109153   0.062172
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055154  -0.041816  -0.115141
-    0SOL     H2    2   0.070453  -0.124806  -0.160318
-    0SOL     H3    3   0.041623   0.021666  -0.185492
-    1SOL     O4    4  -0.061549   0.043900   0.120908
-    1SOL     H5    5  -0.001176   0.085172   0.182666
-    1SOL     H6    6  -0.006811  -0.016185   0.070354
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065762   0.124780  -0.038859
-    0SOL     H2    2  -0.002576   0.057767  -0.037710
-    0SOL     H3    3   0.086963   0.139021   0.053391
-    1SOL     O4    4  -0.057431  -0.118179   0.031415
-    1SOL     H5    5  -0.086056  -0.204058   0.000305
-    1SOL     H6    6  -0.124269  -0.092107   0.094782
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104947  -0.002911  -0.103128
-    0SOL     H2    2   0.161687  -0.002640  -0.026038
-    0SOL     H3    3   0.016622   0.008217  -0.067957
-    1SOL     O4    4  -0.097006   0.002028   0.095452
-    1SOL     H5    5  -0.164472  -0.061977   0.072780
-    1SOL     H6    6  -0.143626   0.069644   0.144614
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102953  -0.038208   0.091716
-    0SOL     H2    2  -0.124839   0.054767   0.085465
-    0SOL     H3    3  -0.029541  -0.041510   0.153053
-    1SOL     O4    4   0.099251   0.035987  -0.100045
-    1SOL     H5    5   0.030792  -0.006058  -0.048008
-    1SOL     H6    6   0.180701   0.013921  -0.054864
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130144  -0.038188   0.015911
-    0SOL     H2    2  -0.159906  -0.071973   0.100380
-    0SOL     H3    3  -0.168745  -0.097452  -0.048588
-    1SOL     O4    4   0.139056   0.039569  -0.014690
-    1SOL     H5    5   0.145496   0.130873  -0.042701
-    1SOL     H6    6   0.046579   0.017516  -0.025827
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126440  -0.043885   0.031936
-    0SOL     H2    2  -0.139887   0.027562   0.094200
-    0SOL     H3    3  -0.212127  -0.056705  -0.008753
-    1SOL     O4    4   0.135790   0.043744  -0.027714
-    1SOL     H5    5   0.058740  -0.012668  -0.021125
-    1SOL     H6    6   0.155075   0.047181  -0.121409
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016224   0.051897   0.135542
-    0SOL     H2    2   0.089369   0.008597   0.179555
-    0SOL     H3    3   0.019039   0.018548   0.045863
-    1SOL     O4    4  -0.019418  -0.045966  -0.126434
-    1SOL     H5    5  -0.086779  -0.011867  -0.185273
-    1SOL     H6    6   0.029924  -0.108151  -0.179920
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077665   0.066905  -0.093992
-    0SOL     H2    2  -0.011541   0.040324  -0.157894
-    0SOL     H3    3  -0.094560   0.159008  -0.113839
-    1SOL     O4    4   0.079526  -0.074543   0.096164
-    1SOL     H5    5   0.085223  -0.023909   0.177195
-    1SOL     H6    6  -0.007882  -0.055544   0.062088
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060395   0.076919  -0.096748
-    0SOL     H2    2   0.145712   0.096768  -0.135341
-    0SOL     H3    3   0.018365   0.162273  -0.086242
-    1SOL     O4    4  -0.063984  -0.090012   0.101373
-    1SOL     H5    5  -0.111751  -0.007946   0.113452
-    1SOL     H6    6   0.006010  -0.068205   0.039829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061382   0.101051  -0.086733
-    0SOL     H2    2   0.041171   0.021710  -0.037147
-    0SOL     H3    3   0.149934   0.086604  -0.120083
-    1SOL     O4    4  -0.061120  -0.091762   0.080627
-    1SOL     H5    5  -0.091949  -0.059050   0.165136
-    1SOL     H6    6  -0.095810  -0.180814   0.075261
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066304  -0.127346  -0.045228
-    0SOL     H2    2  -0.018613  -0.130087  -0.089319
-    0SOL     H3    3   0.068336  -0.041787  -0.002359
-    1SOL     O4    4  -0.056927   0.124832   0.048964
-    1SOL     H5    5  -0.066902   0.131551  -0.045997
-    1SOL     H6    6  -0.128281   0.067315   0.076581
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024754   0.138110  -0.054809
-    0SOL     H2    2   0.063253   0.148259  -0.018560
-    0SOL     H3    3  -0.038066   0.043429  -0.059355
-    1SOL     O4    4   0.019337  -0.131304   0.046394
-    1SOL     H5    5  -0.038353  -0.182572   0.103015
-    1SOL     H6    6   0.091947  -0.105494   0.103175
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084764   0.114160   0.040879
-    0SOL     H2    2  -0.031260   0.054997  -0.012030
-    0SOL     H3    3  -0.167568   0.120652  -0.006700
-    1SOL     O4    4   0.080310  -0.114869  -0.034041
-    1SOL     H5    5   0.163867  -0.132534   0.009185
-    1SOL     H6    6   0.097465  -0.038497  -0.089135
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020998   0.047287   0.144197
-    0SOL     H2    2  -0.067089  -0.014543   0.087496
-    0SOL     H3    3   0.057723   0.070800   0.095080
-    1SOL     O4    4   0.016589  -0.046122  -0.132169
-    1SOL     H5    5  -0.012677   0.013190  -0.201363
-    1SOL     H6    6   0.095087  -0.087709  -0.167820
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008041   0.142764  -0.012727
-    0SOL     H2    2  -0.066685   0.197480  -0.036904
-    0SOL     H3    3   0.023456   0.162642   0.079628
-    1SOL     O4    4  -0.010952  -0.149694   0.007889
-    1SOL     H5    5   0.066199  -0.193646   0.043641
-    1SOL     H6    6   0.018868  -0.060818  -0.011455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016256  -0.008532  -0.141811
-    0SOL     H2    2  -0.002621   0.073316  -0.187713
-    0SOL     H3    3   0.096898  -0.040633  -0.182168
-    1SOL     O4    4  -0.020652   0.001585   0.150212
-    1SOL     H5    5  -0.037418   0.001683   0.055972
-    1SOL     H6    6   0.020518   0.086282   0.167352
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124547  -0.060687  -0.061585
-    0SOL     H2    2   0.029866  -0.047244  -0.057448
-    0SOL     H3    3   0.138466  -0.146111  -0.020702
-    1SOL     O4    4  -0.119521   0.059027   0.055476
-    1SOL     H5    5  -0.054171   0.127046   0.071756
-    1SOL     H6    6  -0.194075   0.083795   0.110163
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006654  -0.064539  -0.130388
-    0SOL     H2    2   0.069643  -0.121651  -0.121487
-    0SOL     H3    3  -0.075769  -0.121826  -0.163608
-    1SOL     O4    4   0.007601   0.066822   0.136950
-    1SOL     H5    5  -0.018492   0.028283   0.053307
-    1SOL     H6    6   0.006854   0.161226   0.121150
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070912  -0.091750   0.092842
-    0SOL     H2    2  -0.010784  -0.166224   0.092082
-    0SOL     H3    3  -0.131536  -0.109116   0.020831
-    1SOL     O4    4   0.069973   0.093227  -0.092879
-    1SOL     H5    5   0.020725   0.102393  -0.011313
-    1SOL     H6    6   0.142532   0.155048  -0.084179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061968  -0.115035  -0.066073
-    0SOL     H2    2  -0.059146  -0.141939  -0.157891
-    0SOL     H3    3  -0.150076  -0.079577  -0.054152
-    1SOL     O4    4   0.065527   0.117648   0.076158
-    1SOL     H5    5   0.129254   0.131340   0.006060
-    1SOL     H6    6   0.004448   0.052998   0.040774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124771   0.041144  -0.077760
-    0SOL     H2    2   0.209969   0.049888  -0.035015
-    0SOL     H3    3   0.064959   0.016435  -0.007232
-    1SOL     O4    4  -0.120919  -0.041074   0.075871
-    1SOL     H5    5  -0.120566  -0.056291  -0.018631
-    1SOL     H6    6  -0.210118  -0.012224   0.095200
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011893   0.150091  -0.034790
-    0SOL     H2    2   0.103802   0.166416  -0.055967
-    0SOL     H3    3   0.007703   0.056148  -0.016916
-    1SOL     O4    4  -0.018654  -0.138744   0.033694
-    1SOL     H5    5  -0.047285  -0.218755  -0.010360
-    1SOL     H6    6   0.046827  -0.168294   0.096950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090392  -0.086115   0.075181
-    0SOL     H2    2   0.148716  -0.108732   0.147631
-    0SOL     H3    3   0.142371  -0.102544  -0.003500
-    1SOL     O4    4  -0.097199   0.091559  -0.081294
-    1SOL     H5    5  -0.027127   0.102240  -0.016966
-    1SOL     H6    6  -0.159569   0.032370  -0.039237
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.132830  -0.030073   0.079099
-    0SOL     H2    2   0.046460   0.005652   0.058454
-    0SOL     H3    3   0.152890  -0.088246   0.005778
-    1SOL     O4    4  -0.129683   0.024929  -0.071192
-    1SOL     H5    5  -0.123711   0.109798  -0.027331
-    1SOL     H6    6  -0.128248   0.046009  -0.164550
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071141   0.113469  -0.084484
-    0SOL     H2    2  -0.013523   0.069213  -0.078509
-    0SOL     H3    3   0.123341   0.057724  -0.142190
-    1SOL     O4    4  -0.066310  -0.104731   0.081908
-    1SOL     H5    5  -0.112130  -0.066034   0.156510
-    1SOL     H6    6  -0.070700  -0.199093   0.097367
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139657   0.046248  -0.038001
-    0SOL     H2    2   0.127563   0.118558   0.023540
-    0SOL     H3    3   0.173944   0.087629  -0.117212
-    1SOL     O4    4  -0.144718  -0.058068   0.041979
-    1SOL     H5    5  -0.176491   0.017705  -0.007124
-    1SOL     H6    6  -0.049791  -0.046291   0.045512
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044300   0.148896   0.017790
-    0SOL     H2    2   0.002596   0.200649   0.083247
-    0SOL     H3    3   0.010898   0.153247  -0.060290
-    1SOL     O4    4   0.032571  -0.154434  -0.017006
-    1SOL     H5    5   0.115162  -0.200790  -0.003141
-    1SOL     H6    6   0.058219  -0.063195  -0.030419
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019770  -0.112010  -0.118540
-    0SOL     H2    2  -0.076195  -0.159875  -0.057816
-    0SOL     H3    3  -0.016467  -0.023105  -0.083221
-    1SOL     O4    4   0.022100   0.113101   0.107758
-    1SOL     H5    5  -0.032285   0.101236   0.185629
-    1SOL     H6    6   0.095814   0.053415   0.120645
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065711   0.110299   0.107253
-    0SOL     H2    2  -0.012033   0.070125   0.068470
-    0SOL     H3    3   0.138822   0.074831   0.056666
-    1SOL     O4    4  -0.062945  -0.102833  -0.096161
-    1SOL     H5    5  -0.090750  -0.193932  -0.105661
-    1SOL     H6    6  -0.084202  -0.062359  -0.180258
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.151832   0.038804   0.043966
-    0SOL     H2    2  -0.062121   0.016587   0.068879
-    0SOL     H3    3  -0.176578   0.109333   0.103762
-    1SOL     O4    4   0.142686  -0.037531  -0.050735
-    1SOL     H5    5   0.163725  -0.129916  -0.064321
-    1SOL     H6    6   0.215628  -0.003691   0.001194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111794   0.011895   0.118559
-    0SOL     H2    2  -0.095919   0.044754   0.207049
-    0SOL     H3    3  -0.030156   0.028999   0.071602
-    1SOL     O4    4   0.106144  -0.018991  -0.115911
-    1SOL     H5    5   0.134098   0.071970  -0.105568
-    1SOL     H6    6   0.085631  -0.027352  -0.209032
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066838  -0.116921   0.092113
-    0SOL     H2    2   0.016873  -0.196785   0.109070
-    0SOL     H3    3   0.063670  -0.106365  -0.002970
-    1SOL     O4    4  -0.064932   0.119713  -0.081739
-    1SOL     H5    5  -0.125951   0.147939  -0.149873
-    1SOL     H6    6   0.018148   0.107212  -0.127606
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148558   0.014250   0.055703
-    0SOL     H2    2   0.232392   0.016293   0.101855
-    0SOL     H3    3   0.127863   0.106282   0.039447
-    1SOL     O4    4  -0.153933  -0.013761  -0.056409
-    1SOL     H5    5  -0.065723  -0.039374  -0.083339
-    1SOL     H6    6  -0.200387  -0.096599  -0.044485
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061617   0.129402   0.089797
-    0SOL     H2    2  -0.066217   0.102712  -0.002012
-    0SOL     H3    3   0.031607   0.125763   0.111205
-    1SOL     O4    4   0.056302  -0.121817  -0.087531
-    1SOL     H5    5  -0.013170  -0.170596  -0.043299
-    1SOL     H6    6   0.128424  -0.184295  -0.095090
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090067  -0.103739   0.098837
-    0SOL     H2    2   0.178666  -0.080971   0.070653
-    0SOL     H3    3   0.038172  -0.025435   0.080460
-    1SOL     O4    4  -0.088431   0.097749  -0.090906
-    1SOL     H5    5  -0.059655   0.080728  -0.180597
-    1SOL     H6    6  -0.177813   0.130709  -0.100227
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036041  -0.141992  -0.072323
-    0SOL     H2    2  -0.123609  -0.171834  -0.096892
-    0SOL     H3    3  -0.017521  -0.187153   0.010017
-    1SOL     O4    4   0.040682   0.148501   0.074915
-    1SOL     H5    5   0.113500   0.110236   0.025969
-    1SOL     H6    6  -0.033555   0.144372   0.014631
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069699  -0.161975  -0.063814
-    0SOL     H2    2   0.060640  -0.199756   0.023666
-    0SOL     H3    3   0.015314  -0.083234  -0.061698
-    1SOL     O4    4  -0.068092   0.155316   0.054224
-    1SOL     H5    5   0.020177   0.178784   0.082863
-    1SOL     H6    6  -0.125953   0.209096   0.108281
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.183370  -0.080800   0.000342
-    0SOL     H2    2   0.172224   0.013134   0.014987
-    0SOL     H3    3   0.096010  -0.117664   0.013440
-    1SOL     O4    4  -0.183626   0.080301   0.000489
-    1SOL     H5    5  -0.142086  -0.002015   0.026197
-    1SOL     H6    6  -0.127129   0.115186  -0.068456
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110269   0.158923   0.043432
-    0SOL     H2    2   0.043602   0.092750   0.061841
-    0SOL     H3    3   0.106421   0.218360   0.118364
-    1SOL     O4    4  -0.108448  -0.158631  -0.042970
-    1SOL     H5    5  -0.037327  -0.214179  -0.074883
-    1SOL     H6    6  -0.134217  -0.106564  -0.119044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099450  -0.121627   0.120148
-    0SOL     H2    2  -0.184441  -0.163587   0.133493
-    0SOL     H3    3  -0.049717  -0.142464   0.199235
-    1SOL     O4    4   0.106500   0.125376  -0.120357
-    1SOL     H5    5   0.112678   0.152886  -0.211830
-    1SOL     H6    6   0.016678   0.093695  -0.110839
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102181   0.174015  -0.034029
-    0SOL     H2    2  -0.038590   0.229165  -0.079603
-    0SOL     H3    3  -0.182283   0.226380  -0.032025
-    1SOL     O4    4   0.103801  -0.175958   0.031336
-    1SOL     H5    5   0.082886  -0.157663   0.122934
-    1SOL     H6    6   0.112279  -0.271212   0.027218
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038231   0.207194  -0.038968
-    0SOL     H2    2   0.120421   0.213771  -0.087587
-    0SOL     H3    3   0.037935   0.117978  -0.004289
-    1SOL     O4    4  -0.046539  -0.203264   0.046686
-    1SOL     H5    5   0.040882  -0.235386   0.024594
-    1SOL     H6    6  -0.078744  -0.163696  -0.034304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116724   0.013876  -0.173535
-    0SOL     H2    2   0.197521  -0.036673  -0.182421
-    0SOL     H3    3   0.048780  -0.042883  -0.209928
-    1SOL     O4    4  -0.115878  -0.009045   0.182547
-    1SOL     H5    5  -0.169459  -0.061114   0.122712
-    1SOL     H6    6  -0.090224   0.067601   0.131267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076885   0.149078  -0.142875
-    0SOL     H2    2  -0.054006   0.234625  -0.106537
-    0SOL     H3    3  -0.102523   0.096808  -0.066896
-    1SOL     O4    4   0.081231  -0.150213   0.140963
-    1SOL     H5    5   0.076730  -0.223345   0.079370
-    1SOL     H6    6   0.011059  -0.091247   0.113374
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119453   0.186653   0.025598
-    0SOL     H2    2  -0.148804   0.131982  -0.047285
-    0SOL     H3    3  -0.097811   0.270746  -0.014680
-    1SOL     O4    4   0.122841  -0.193810  -0.018116
-    1SOL     H5    5   0.150775  -0.121885  -0.074762
-    1SOL     H6    6   0.044706  -0.160590   0.026086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.192424   0.113923   0.005682
-    0SOL     H2    2  -0.128967   0.158880   0.061488
-    0SOL     H3    3  -0.200020   0.169672  -0.071756
-    1SOL     O4    4   0.192392  -0.125953  -0.002658
-    1SOL     H5    5   0.239203  -0.043169  -0.013511
-    1SOL     H6    6   0.100447  -0.103607  -0.017119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.156167   0.136067  -0.067497
-    0SOL     H2    2  -0.165160   0.121444  -0.161665
-    0SOL     H3    3  -0.224044   0.200237  -0.046585
-    1SOL     O4    4   0.155243  -0.143891   0.071098
-    1SOL     H5    5   0.146012  -0.048631   0.072672
-    1SOL     H6    6   0.249368  -0.159028   0.079684
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068420   0.027432   0.214496
-    0SOL     H2    2  -0.022179  -0.046511   0.253947
-    0SOL     H3    3  -0.003994   0.098217   0.213424
-    1SOL     O4    4   0.067524  -0.028006  -0.221063
-    1SOL     H5    5  -0.005232   0.034161  -0.223110
-    1SOL     H6    6   0.054573  -0.077449  -0.140131
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033021  -0.218343   0.038279
-    0SOL     H2    2  -0.060812  -0.169856   0.115990
-    0SOL     H3    3   0.004739  -0.299277   0.072720
-    1SOL     O4    4   0.032830   0.217972  -0.039565
-    1SOL     H5    5  -0.040811   0.268451  -0.074079
-    1SOL     H6    6   0.095338   0.214158  -0.111956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.230691   0.028883  -0.034653
-    0SOL     H2    2   0.262147   0.093332   0.028743
-    0SOL     H3    3   0.169736   0.077559  -0.090128
-    1SOL     O4    4  -0.230097  -0.031416   0.028785
-    1SOL     H5    5  -0.259871  -0.122237   0.034024
-    1SOL     H6    6  -0.184916  -0.016147   0.111778
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.103142  -0.071132  -0.198531
-    0SOL     H2    2   0.108018  -0.119299  -0.281106
-    0SOL     H3    3   0.016182  -0.031133  -0.199179
-    1SOL     O4    4  -0.096353   0.072180   0.197190
-    1SOL     H5    5  -0.159712   0.127683   0.242659
-    1SOL     H6    6  -0.073022   0.004967   0.261225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040636   0.212814  -0.101734
-    0SOL     H2    2  -0.106515   0.257090  -0.048237
-    0SOL     H3    3   0.031795   0.275164  -0.107082
-    1SOL     O4    4   0.041736  -0.224990   0.098130
-    1SOL     H5    5   0.003882  -0.181540   0.174559
-    1SOL     H6    6   0.056459  -0.154367   0.035217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037563  -0.156383  -0.198349
-    0SOL     H2    2   0.056479  -0.140372  -0.105893
-    0SOL     H3    3   0.051501  -0.071688  -0.240714
-    1SOL     O4    4  -0.039860   0.146672   0.190791
-    1SOL     H5    5   0.021407   0.219293   0.202403
-    1SOL     H6    6  -0.092967   0.147110   0.270426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002134   0.180185   0.195606
-    0SOL     H2    2  -0.054512   0.260083   0.201535
-    0SOL     H3    3   0.087937   0.209450   0.209501
-    1SOL     O4    4   0.002841  -0.181730  -0.193309
-    1SOL     H5    5  -0.038704  -0.174312  -0.279223
-    1SOL     H6    6  -0.006885  -0.274016  -0.169836
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067486   0.246139  -0.177917
-    0SOL     H2    2  -0.086721   0.267586  -0.086635
-    0SOL     H3    3  -0.122819   0.170386  -0.196944
-    1SOL     O4    4   0.066994  -0.240908   0.170118
-    1SOL     H5    5   0.143499  -0.290484   0.140936
-    1SOL     H6    6   0.079017  -0.231650   0.264628
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077358  -0.299684   0.030634
-    0SOL     H2    2  -0.020012  -0.327121  -0.040927
-    0SOL     H3    3  -0.165928  -0.312214  -0.003437
-    1SOL     O4    4   0.084540   0.304960  -0.023151
-    1SOL     H5    5   0.074712   0.220921  -0.067909
-    1SOL     H6    6  -0.005100   0.336097  -0.010606
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107540  -0.297353  -0.058596
-    0SOL     H2    2  -0.025504  -0.271766  -0.100760
-    0SOL     H3    3  -0.108234  -0.392946  -0.063476
-    1SOL     O4    4   0.103413   0.296341   0.056612
-    1SOL     H5    5   0.173722   0.357425   0.078697
-    1SOL     H6    6   0.031046   0.321244   0.114103
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079980  -0.182388   0.265177
-    0SOL     H2    2  -0.151205  -0.226995   0.310996
-    0SOL     H3    3  -0.117604  -0.098647   0.238081
-    1SOL     O4    4   0.085362   0.174010  -0.263506
-    1SOL     H5    5   0.020803   0.222452  -0.314962
-    1SOL     H6    6   0.159876   0.233648  -0.256206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135502  -0.022077   0.337578
-    0SOL     H2    2   0.186820   0.044166   0.291311
-    0SOL     H3    3   0.087730  -0.067993   0.268499
-    1SOL     O4    4  -0.130919   0.025180  -0.328515
-    1SOL     H5    5  -0.223406   0.027876  -0.303993
-    1SOL     H6    6  -0.123335  -0.051618  -0.385144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088546  -0.078601  -0.342136
-    0SOL     H2    2   0.133006  -0.102355  -0.260764
-    0SOL     H3    3   0.135760  -0.126598  -0.410175
-    1SOL     O4    4  -0.094698   0.083344   0.347437
-    1SOL     H5    5  -0.149569   0.132285   0.286149
-    1SOL     H6    6  -0.035810   0.032548   0.291632
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121975   0.328509   0.124449
-    0SOL     H2    2   0.161813   0.319421   0.211009
-    0SOL     H3    3   0.040464   0.376083   0.140420
-    1SOL     O4    4  -0.114491  -0.328580  -0.133528
-    1SOL     H5    5  -0.205331  -0.299272  -0.140702
-    1SOL     H6    6  -0.114899  -0.390318  -0.060381
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030059   0.313107   0.248581
-    0SOL     H2    2  -0.092452   0.360309   0.303731
-    0SOL     H3    3  -0.059790   0.222157   0.251135
-    1SOL     O4    4   0.036294  -0.314272  -0.257014
-    1SOL     H5    5  -0.030476  -0.320117  -0.188676
-    1SOL     H6    6   0.090304  -0.239490  -0.231461
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076283  -0.067993   0.407894
-    0SOL     H2    2   0.059897   0.005062   0.348255
-    0SOL     H3    3   0.153068  -0.111992   0.371419
-    1SOL     O4    4  -0.076418   0.061701  -0.398979
-    1SOL     H5    5  -0.054908   0.095319  -0.485982
-    1SOL     H6    6  -0.155795   0.108971  -0.373936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002257   0.153011   0.396094
-    0SOL     H2    2   0.090957   0.161866   0.415972
-    0SOL     H3    3  -0.004935   0.130581   0.303078
-    1SOL     O4    4  -0.005339  -0.153732  -0.386723
-    1SOL     H5    5  -0.026427  -0.174726  -0.477700
-    1SOL     H6    6   0.077314  -0.105711  -0.391713
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137833  -0.311130   0.264514
-    0SOL     H2    2   0.117924  -0.367579   0.339210
-    0SOL     H3    3   0.061692  -0.319532   0.207118
-    1SOL     O4    4  -0.136251   0.309841  -0.266535
-    1SOL     H5    5  -0.158250   0.400649  -0.245744
-    1SOL     H6    6  -0.041071   0.309928  -0.276692
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063537   0.449293   0.120050
-    0SOL     H2    2  -0.099849   0.528430   0.159813
-    0SOL     H3    3  -0.093935   0.378057   0.176297
-    1SOL     O4    4   0.068282  -0.454924  -0.122562
-    1SOL     H5    5   0.131391  -0.383818  -0.133672
-    1SOL     H6    6  -0.009296  -0.425870  -0.170518
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095798   0.143344  -0.444107
-    0SOL     H2    2  -0.141879   0.073568  -0.397520
-    0SOL     H3    3  -0.151766   0.220275  -0.433553
-    1SOL     O4    4   0.096046  -0.140150   0.442272
-    1SOL     H5    5   0.103009  -0.232093   0.416576
-    1SOL     H6    6   0.186448  -0.108719   0.443705
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.294484   0.448948  -0.021079
-    0SOL     H2    2  -0.256450   0.361788  -0.010182
-    0SOL     H3    3  -0.225264   0.508974   0.006630
-    1SOL     O4    4   0.288592  -0.443837   0.013929
-    1SOL     H5    5   0.362357  -0.465383   0.070997
-    1SOL     H6    6   0.214701  -0.492123   0.050955
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101895  -0.508093  -0.212136
-    0SOL     H2    2  -0.117427  -0.413656  -0.210500
-    0SOL     H3    3  -0.019056  -0.517981  -0.259064
-    1SOL     O4    4   0.103036   0.508794   0.215905
-    1SOL     H5    5   0.096884   0.460163   0.133688
-    1SOL     H6    6   0.034710   0.471032   0.271293
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012037   0.566999  -0.091192
-    0SOL     H2    2  -0.083450   0.560647  -0.093249
-    0SOL     H3    3   0.037162   0.524403  -0.009236
-    1SOL     O4    4  -0.003542  -0.569264   0.087494
-    1SOL     H5    5  -0.044991  -0.537125   0.007423
-    1SOL     H6    6  -0.046998  -0.521220   0.157962
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039079   0.634419  -0.355678
-    0SOL     H2    2  -0.066745   0.546757  -0.382368
-    0SOL     H3    3  -0.060747   0.639111  -0.262561
-    1SOL     O4    4   0.046276  -0.629409   0.347697
-    1SOL     H5    5  -0.048389  -0.623066   0.335025
-    1SOL     H6    6   0.057103  -0.641509   0.442030
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.163904   0.625549   0.357354
-    0SOL     H2    2   0.094096   0.638479   0.293151
-    0SOL     H3    3   0.230979   0.689368   0.333055
-    1SOL     O4    4  -0.168458  -0.627660  -0.355898
-    1SOL     H5    5  -0.107090  -0.577259  -0.302456
-    1SOL     H6    6  -0.144536  -0.719004  -0.340205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.551786  -0.599997  -0.062222
-    0SOL     H2    2  -0.456080  -0.600158  -0.063855
-    0SOL     H3    3  -0.577333  -0.628558  -0.149938
-    1SOL     O4    4   0.546228   0.606982   0.064799
-    1SOL     H5    5   0.629768   0.560948   0.056787
-    1SOL     H6    6   0.492625   0.550007   0.119961
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.633642  -0.304376  -0.545841
-    0SOL     H2    2  -0.638577  -0.245616  -0.470440
-    0SOL     H3    3  -0.718444  -0.348749  -0.547276
-    1SOL     O4    4   0.637675   0.309861   0.542641
-    1SOL     H5    5   0.651567   0.239783   0.606347
-    1SOL     H6    6   0.630097   0.264717   0.458576
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/420K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.311517  -0.770823   0.323168
-    0SOL     H2    2   0.224276  -0.810208   0.323590
-    0SOL     H3    3   0.371297  -0.845012   0.313976
-    1SOL     O4    4  -0.306803   0.778768  -0.328348
-    1SOL     H5    5  -0.288427   0.818371  -0.243165
-    1SOL     H6    6  -0.376087   0.715104  -0.310771
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063545  -0.028425  -0.109754
-    0SOL     H2    2   0.111190   0.054246  -0.117357
-    0SOL     H3    3   0.127030  -0.089332  -0.072042
-    1SOL     O4    4  -0.067616   0.027028   0.114663
-    1SOL     H5    5  -0.151836   0.060978   0.084386
-    1SOL     H6    6  -0.023760  -0.002875   0.035009
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027064   0.090851  -0.096728
-    0SOL     H2    2  -0.010600   0.042099  -0.016016
-    0SOL     H3    3  -0.100392   0.148553  -0.075377
-    1SOL     O4    4   0.029855  -0.085164   0.088167
-    1SOL     H5    5   0.112641  -0.132607   0.095785
-    1SOL     H6    6  -0.035984  -0.146342   0.121103
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099269  -0.084087   0.013888
-    0SOL     H2    2   0.042915  -0.134105   0.072921
-    0SOL     H3    3   0.169055  -0.050440   0.070102
-    1SOL     O4    4  -0.104681   0.088607  -0.024769
-    1SOL     H5    5  -0.084434   0.093325   0.068666
-    1SOL     H6    6  -0.040745   0.026741  -0.060086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116612  -0.033035  -0.062571
-    0SOL     H2    2   0.141499  -0.125246  -0.068912
-    0SOL     H3    3   0.052051  -0.030404   0.008050
-    1SOL     O4    4  -0.107372   0.036916   0.058300
-    1SOL     H5    5  -0.158852   0.030383   0.138733
-    1SOL     H6    6  -0.171620   0.057013  -0.009748
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048513   0.009957  -0.119691
-    0SOL     H2    2  -0.135354  -0.022120  -0.095361
-    0SOL     H3    3  -0.064446   0.068634  -0.193619
-    1SOL     O4    4   0.049660  -0.009519   0.127420
-    1SOL     H5    5   0.126662  -0.066112   0.132912
-    1SOL     H6    6   0.046413   0.017757   0.035726
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027779   0.093285   0.103220
-    0SOL     H2    2  -0.048072   0.023464   0.040966
-    0SOL     H3    3   0.059857   0.072069   0.135348
-    1SOL     O4    4   0.020564  -0.082059  -0.099277
-    1SOL     H5    5   0.032331  -0.165761  -0.054355
-    1SOL     H6    6   0.065216  -0.093370  -0.183185
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106936  -0.072735   0.025135
-    0SOL     H2    2   0.135384  -0.151434  -0.021335
-    0SOL     H3    3   0.185777  -0.041086   0.069234
-    1SOL     O4    4  -0.118751   0.077795  -0.023200
-    1SOL     H5    5  -0.076056   0.086055  -0.108472
-    1SOL     H6    6  -0.057381   0.026632   0.029510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097819   0.026653   0.087513
-    0SOL     H2    2  -0.106068   0.099115   0.149510
-    0SOL     H3    3  -0.186863   0.012204   0.055500
-    1SOL     O4    4   0.109392  -0.032977  -0.090288
-    1SOL     H5    5   0.039055  -0.023998  -0.154587
-    1SOL     H6    6   0.074604   0.007536  -0.010848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035014   0.114987  -0.059486
-    0SOL     H2    2   0.119169   0.129860  -0.102602
-    0SOL     H3    3   0.009165   0.201205  -0.026920
-    1SOL     O4    4  -0.035823  -0.127385   0.059529
-    1SOL     H5    5  -0.012853  -0.048865   0.009836
-    1SOL     H6    6  -0.104634  -0.098557   0.119499
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028397   0.136653  -0.037822
-    0SOL     H2    2  -0.035077   0.041670  -0.028021
-    0SOL     H3    3  -0.119033   0.167388  -0.036116
-    1SOL     O4    4   0.026359  -0.132422   0.036958
-    1SOL     H5    5   0.071790  -0.213189   0.012977
-    1SOL     H6    6   0.095964  -0.073405   0.065845
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107547   0.033391   0.078939
-    0SOL     H2    2  -0.054758   0.086799   0.138296
-    0SOL     H3    3  -0.192735   0.026650   0.122066
-    1SOL     O4    4   0.111031  -0.042150  -0.083827
-    1SOL     H5    5   0.151032   0.022677  -0.141790
-    1SOL     H6    6   0.037637   0.003988  -0.043244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124867  -0.037108  -0.042038
-    0SOL     H2    2  -0.135508  -0.131929  -0.049657
-    0SOL     H3    3  -0.195958  -0.000667  -0.094768
-    1SOL     O4    4   0.134515   0.036432   0.047442
-    1SOL     H5    5   0.139657   0.131712   0.039849
-    1SOL     H6    6   0.044800   0.015118   0.021767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042724  -0.109196  -0.073792
-    0SOL     H2    2   0.071864  -0.196662  -0.048046
-    0SOL     H3    3   0.112773  -0.076151  -0.130036
-    1SOL     O4    4  -0.044984   0.117082   0.080146
-    1SOL     H5    5  -0.126568   0.137067   0.034243
-    1SOL     H6    6  -0.027560   0.025307   0.059264
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111274   0.074355   0.058867
-    0SOL     H2    2   0.104943   0.011401   0.130693
-    0SOL     H3    3   0.033263   0.129071   0.067965
-    1SOL     O4    4  -0.108964  -0.068373  -0.065060
-    1SOL     H5    5  -0.148568  -0.154986  -0.074657
-    1SOL     H6    6  -0.024065  -0.085202  -0.024179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037716  -0.119716  -0.068784
-    0SOL     H2    2  -0.061322  -0.113381   0.023763
-    0SOL     H3    3  -0.116158  -0.154459  -0.111235
-    1SOL     O4    4   0.049081   0.122693   0.063082
-    1SOL     H5    5  -0.009341   0.048217   0.048847
-    1SOL     H6    6   0.006812   0.173454   0.132357
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030064   0.134532   0.057802
-    0SOL     H2    2   0.055816   0.157880   0.093042
-    0SOL     H3    3  -0.016423   0.049726   0.015561
-    1SOL     O4    4   0.025484  -0.125920  -0.052883
-    1SOL     H5    5  -0.001421  -0.215596  -0.032969
-    1SOL     H6    6   0.034315  -0.124114  -0.148178
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045810   0.017839   0.142393
-    0SOL     H2    2  -0.006316   0.012576   0.055360
-    0SOL     H3    3  -0.131847  -0.022856   0.132207
-    1SOL     O4    4   0.048365  -0.011814  -0.130774
-    1SOL     H5    5   0.078102   0.016499  -0.217240
-    1SOL     H6    6   0.018693  -0.101867  -0.143900
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095750  -0.050411  -0.091259
-    0SOL     H2    2  -0.121471  -0.073333  -0.180564
-    0SOL     H3    3  -0.102273  -0.132566  -0.042571
-    1SOL     O4    4   0.098962   0.058974   0.099231
-    1SOL     H5    5   0.023237   0.075598   0.043091
-    1SOL     H6    6   0.147294  -0.010430   0.054404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.069527  -0.045976   0.113264
-    0SOL     H2    2  -0.090465  -0.013982   0.201015
-    0SOL     H3    3  -0.114730  -0.130115   0.106977
-    1SOL     O4    4   0.077101   0.054680  -0.119014
-    1SOL     H5    5   0.032565   0.020854  -0.041331
-    1SOL     H6    6   0.059223  -0.010198  -0.187085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.081660  -0.082316   0.091385
-    0SOL     H2    2  -0.119851  -0.016096   0.148993
-    0SOL     H3    3  -0.145576  -0.092521   0.020866
-    1SOL     O4    4   0.086331   0.083800  -0.096897
-    1SOL     H5    5   0.043211   0.091167  -0.011757
-    1SOL     H6    6   0.143129   0.007213  -0.088484
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074800   0.132149   0.018278
-    0SOL     H2    2  -0.063014   0.037959   0.005970
-    0SOL     H3    3  -0.090611   0.166072  -0.069822
-    1SOL     O4    4   0.068744  -0.127639  -0.013871
-    1SOL     H5    5   0.135632  -0.144823  -0.080151
-    1SOL     H6    6   0.116061  -0.130521   0.069286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032536  -0.083812  -0.126547
-    0SOL     H2    2  -0.051449  -0.157550  -0.068518
-    0SOL     H3    3  -0.037385  -0.006821  -0.069880
-    1SOL     O4    4   0.032908   0.077955   0.123484
-    1SOL     H5    5   0.113256   0.097892   0.075431
-    1SOL     H6    6  -0.026430   0.149902   0.101922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019858  -0.151471   0.003630
-    0SOL     H2    2   0.038139  -0.214932  -0.038457
-    0SOL     H3    3   0.025292  -0.067620  -0.006008
-    1SOL     O4    4   0.014090   0.144869  -0.004724
-    1SOL     H5    5  -0.051957   0.214132  -0.006417
-    1SOL     H6    6   0.068755   0.165683   0.071044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118762  -0.062826   0.065096
-    0SOL     H2    2   0.130165  -0.014457   0.146905
-    0SOL     H3    3   0.068917  -0.140662   0.089984
-    1SOL     O4    4  -0.117888   0.071730  -0.072912
-    1SOL     H5    5  -0.033536   0.028479  -0.059633
-    1SOL     H6    6  -0.182395   0.001450  -0.065044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030453   0.139552  -0.053485
-    0SOL     H2    2  -0.109986   0.192179  -0.045289
-    0SOL     H3    3  -0.038555   0.073017   0.014850
-    1SOL     O4    4   0.036170  -0.131679   0.048504
-    1SOL     H5    5  -0.041470  -0.187624   0.050622
-    1SOL     H6    6   0.109826  -0.192804   0.049376
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111985   0.076269   0.081051
-    0SOL     H2    2  -0.156676   0.042401   0.003476
-    0SOL     H3    3  -0.024183   0.038411   0.076608
-    1SOL     O4    4   0.103724  -0.073819  -0.078313
-    1SOL     H5    5   0.149681  -0.099921   0.001493
-    1SOL     H6    6   0.164150  -0.014053  -0.122347
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076503  -0.085919   0.103742
-    0SOL     H2    2   0.066257  -0.049861   0.191817
-    0SOL     H3    3   0.043897  -0.017136   0.045707
-    1SOL     O4    4  -0.076003   0.074336  -0.102015
-    1SOL     H5    5  -0.065025   0.164137  -0.070746
-    1SOL     H6    6  -0.053526   0.078376  -0.194971
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010304  -0.074235   0.126322
-    0SOL     H2    2   0.026520  -0.150881   0.170274
-    0SOL     H3    3  -0.085655  -0.049682   0.180004
-    1SOL     O4    4   0.018151   0.077382  -0.135199
-    1SOL     H5    5  -0.001553   0.095610  -0.043320
-    1SOL     H6    6  -0.067344   0.062465  -0.175576
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043670   0.084554   0.122821
-    0SOL     H2    2  -0.006953   0.135964   0.185723
-    0SOL     H3    3   0.017289  -0.006009   0.139088
-    1SOL     O4    4  -0.032824  -0.085127  -0.127962
-    1SOL     H5    5  -0.062473  -0.017976  -0.066529
-    1SOL     H6    6  -0.110004  -0.104866  -0.181027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073686  -0.089812  -0.097690
-    0SOL     H2    2  -0.147418  -0.150397  -0.105129
-    0SOL     H3    3  -0.080093  -0.034535  -0.175572
-    1SOL     O4    4   0.082457   0.089498   0.105954
-    1SOL     H5    5   0.041803   0.169830   0.073451
-    1SOL     H6    6   0.034886   0.019034   0.061974
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104643  -0.084659  -0.093434
-    0SOL     H2    2   0.036561  -0.019260  -0.077621
-    0SOL     H3    3   0.185065  -0.043806  -0.061407
-    1SOL     O4    4  -0.106296   0.075022   0.086053
-    1SOL     H5    5  -0.104240   0.053524   0.179305
-    1SOL     H6    6  -0.088441   0.169002   0.082692
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137720   0.050632  -0.059359
-    0SOL     H2    2   0.231717   0.067831  -0.064940
-    0SOL     H3    3   0.124942   0.015490   0.028755
-    1SOL     O4    4  -0.138147  -0.053218   0.059328
-    1SOL     H5    5  -0.133648  -0.065121  -0.035543
-    1SOL     H6    6  -0.203960   0.015152   0.071842
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031962  -0.101583  -0.112197
-    0SOL     H2    2   0.027593  -0.113887  -0.186117
-    0SOL     H3    3  -0.053127  -0.190378  -0.083393
-    1SOL     O4    4   0.035899   0.109339   0.115633
-    1SOL     H5    5  -0.035739   0.139557   0.171465
-    1SOL     H6    6  -0.006034   0.051328   0.052082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090168   0.079866   0.099338
-    0SOL     H2    2   0.162027   0.110102   0.043801
-    0SOL     H3    3   0.068697   0.155415   0.154051
-    1SOL     O4    4  -0.099053  -0.084477  -0.099352
-    1SOL     H5    5  -0.027267  -0.038077  -0.056268
-    1SOL     H6    6  -0.056723  -0.157395  -0.144667
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.048958   0.126846  -0.075969
-    0SOL     H2    2   0.019428   0.109033  -0.165260
-    0SOL     H3    3   0.100250   0.207334  -0.083262
-    1SOL     O4    4  -0.049236  -0.135811   0.084666
-    1SOL     H5    5   0.007000  -0.098321   0.016885
-    1SOL     H6    6  -0.121509  -0.073606   0.093002
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119325  -0.118654   0.016476
-    0SOL     H2    2   0.072911  -0.132858   0.098976
-    0SOL     H3    3   0.056686  -0.071582  -0.038504
-    1SOL     O4    4  -0.112939   0.110471  -0.022036
-    1SOL     H5    5  -0.071854   0.127598   0.062705
-    1SOL     H6    6  -0.155019   0.193192  -0.045461
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000598   0.143051  -0.065844
-    0SOL     H2    2   0.023497   0.170747  -0.154245
-    0SOL     H3    3  -0.062886   0.209351  -0.036063
-    1SOL     O4    4  -0.003508  -0.149035   0.070660
-    1SOL     H5    5   0.052170  -0.071438   0.064260
-    1SOL     H6    6   0.055351  -0.222353   0.052708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.103476  -0.131483  -0.017903
-    0SOL     H2    2   0.103181  -0.174663   0.067524
-    0SOL     H3    3   0.080639  -0.040495   0.001119
-    1SOL     O4    4  -0.098098   0.123526   0.012607
-    1SOL     H5    5  -0.164264   0.138204  -0.054987
-    1SOL     H6    6  -0.101094   0.202463   0.066665
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002327  -0.018454   0.163106
-    0SOL     H2    2   0.036637   0.068840   0.182208
-    0SOL     H3    3   0.080125  -0.073724   0.155688
-    1SOL     O4    4  -0.013620   0.012818  -0.162356
-    1SOL     H5    5   0.075516  -0.008541  -0.134772
-    1SOL     H6    6  -0.004571   0.094282  -0.211795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034604   0.122212  -0.099652
-    0SOL     H2    2  -0.016498   0.192892  -0.161611
-    0SOL     H3    3  -0.058513   0.166980  -0.018495
-    1SOL     O4    4   0.037178  -0.124805   0.103538
-    1SOL     H5    5   0.084150  -0.152885   0.025005
-    1SOL     H6    6  -0.050506  -0.161887   0.093602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093965  -0.029011   0.134146
-    0SOL     H2    2  -0.108773  -0.068301   0.048127
-    0SOL     H3    3  -0.179776  -0.030965   0.176515
-    1SOL     O4    4   0.093039   0.030224  -0.132375
-    1SOL     H5    5   0.147641   0.018828  -0.054586
-    1SOL     H6    6   0.153602   0.060679  -0.199954
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054078   0.120507  -0.109591
-    0SOL     H2    2  -0.069797   0.191939  -0.047844
-    0SOL     H3    3  -0.140038   0.102220  -0.147521
-    1SOL     O4    4   0.061590  -0.128283   0.111457
-    1SOL     H5    5   0.007094  -0.133690   0.032950
-    1SOL     H6    6   0.070435  -0.034439   0.128114
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122346   0.077441  -0.092143
-    0SOL     H2    2   0.195993   0.085835  -0.031580
-    0SOL     H3    3   0.155872   0.110609  -0.175439
-    1SOL     O4    4  -0.128601  -0.085277   0.097676
-    1SOL     H5    5  -0.105360  -0.081996   0.004878
-    1SOL     H6    6  -0.141022   0.006314   0.122558
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047275  -0.121934   0.130102
-    0SOL     H2    2   0.045216  -0.118964   0.154572
-    0SOL     H3    3  -0.049357  -0.089310   0.040137
-    1SOL     O4    4   0.036566   0.122245  -0.127988
-    1SOL     H5    5   0.069275   0.032996  -0.139261
-    1SOL     H6    6   0.112365   0.171861  -0.097085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.125161  -0.020131  -0.126274
-    0SOL     H2    2  -0.062864  -0.092407  -0.118686
-    0SOL     H3    3  -0.144357  -0.014722  -0.219893
-    1SOL     O4    4   0.126313   0.019673   0.128265
-    1SOL     H5    5   0.095170   0.102821   0.092502
-    1SOL     H6    6   0.091461   0.017323   0.217383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.134216   0.055607  -0.113541
-    0SOL     H2    2   0.127261   0.027630  -0.204817
-    0SOL     H3    3   0.058086   0.111992  -0.099856
-    1SOL     O4    4  -0.133913  -0.052198   0.116890
-    1SOL     H5    5  -0.154777  -0.143439   0.136937
-    1SOL     H6    6  -0.038541  -0.050587   0.108892
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146082   0.066753  -0.092201
-    0SOL     H2    2  -0.138545   0.158723  -0.117635
-    0SOL     H3    3  -0.140733   0.067765   0.003364
-    1SOL     O4    4   0.150978  -0.074322   0.089471
-    1SOL     H5    5   0.129826   0.011676   0.053151
-    1SOL     H6    6   0.066032  -0.116593   0.102102
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072423   0.172043   0.021897
-    0SOL     H2    2   0.016424   0.178566  -0.013119
-    0SOL     H3    3  -0.061015   0.174514   0.116903
-    1SOL     O4    4   0.071854  -0.173151  -0.022016
-    1SOL     H5    5   0.029921  -0.091483  -0.049114
-    1SOL     H6    6   0.017305  -0.241942  -0.060154
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153353  -0.010319   0.112931
-    0SOL     H2    2   0.111308  -0.026462   0.028468
-    0SOL     H3    3   0.199052   0.073001   0.101455
-    1SOL     O4    4  -0.148241   0.006535  -0.103381
-    1SOL     H5    5  -0.149728   0.006575  -0.199090
-    1SOL     H6    6  -0.240342   0.000791  -0.077952
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.007203  -0.082516  -0.173613
-    0SOL     H2    2  -0.032950  -0.035528  -0.100523
-    0SOL     H3    3   0.019565  -0.171640  -0.140956
-    1SOL     O4    4  -0.006122   0.078071   0.169547
-    1SOL     H5    5  -0.061615   0.120322   0.103990
-    1SOL     H6    6   0.049914   0.148353   0.202451
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.158289   0.111830   0.001740
-    0SOL     H2    2  -0.068753   0.145648   0.003172
-    0SOL     H3    3  -0.187918   0.126156  -0.088145
-    1SOL     O4    4   0.154839  -0.109253   0.007554
-    1SOL     H5    5   0.109027  -0.123279  -0.075312
-    1SOL     H6    6   0.203033  -0.190611   0.022403
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.143711   0.124600   0.006976
-    0SOL     H2    2   0.236366   0.113735   0.028406
-    0SOL     H3    3   0.142389   0.137774  -0.087824
-    1SOL     O4    4  -0.152768  -0.129736   0.000136
-    1SOL     H5    5  -0.179024  -0.038385  -0.011175
-    1SOL     H6    6  -0.062087  -0.132597  -0.030376
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.189495  -0.017806  -0.033810
-    0SOL     H2    2  -0.271811   0.008154  -0.075192
-    0SOL     H3    3  -0.121994   0.007119  -0.096935
-    1SOL     O4    4   0.192648   0.019797   0.044182
-    1SOL     H5    5   0.193908   0.011533  -0.051172
-    1SOL     H6    6   0.152656  -0.061601   0.074798
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128598   0.148169  -0.002225
-    0SOL     H2    2   0.189667   0.194875  -0.059247
-    0SOL     H3    3   0.068746   0.215846   0.029395
-    1SOL     O4    4  -0.122456  -0.155475   0.007394
-    1SOL     H5    5  -0.165554  -0.219070  -0.049706
-    1SOL     H6    6  -0.179125  -0.078386   0.004540
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133891  -0.063421  -0.152831
-    0SOL     H2    2   0.056744  -0.015874  -0.183650
-    0SOL     H3    3   0.131110  -0.054502  -0.057568
-    1SOL     O4    4  -0.123225   0.059190   0.145351
-    1SOL     H5    5  -0.196424   0.118196   0.127393
-    1SOL     H6    6  -0.147756   0.014480   0.226355
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121934  -0.126575  -0.100582
-    0SOL     H2    2   0.107061  -0.217739  -0.075478
-    0SOL     H3    3   0.102748  -0.124060  -0.194325
-    1SOL     O4    4  -0.120918   0.124968   0.101556
-    1SOL     H5    5  -0.173682   0.201939   0.080257
-    1SOL     H6    6  -0.057619   0.156382   0.166122
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108113  -0.167096  -0.040718
-    0SOL     H2    2  -0.183903  -0.173146  -0.098870
-    0SOL     H3    3  -0.105368  -0.251679   0.004008
-    1SOL     O4    4   0.106563   0.171943   0.044608
-    1SOL     H5    5   0.180385   0.223516   0.077056
-    1SOL     H6    6   0.138760   0.132227  -0.036313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.132612   0.159514   0.026021
-    0SOL     H2    2   0.199790   0.169721   0.093439
-    0SOL     H3    3   0.050172   0.176844   0.071470
-    1SOL     O4    4  -0.133020  -0.163544  -0.039190
-    1SOL     H5    5  -0.184715  -0.100821   0.011366
-    1SOL     H6    6  -0.058949  -0.184866   0.017566
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066315  -0.042484  -0.192410
-    0SOL     H2    2   0.128859   0.027963  -0.175446
-    0SOL     H3    3   0.018876  -0.014153  -0.270572
-    1SOL     O4    4  -0.071266   0.030844   0.198340
-    1SOL     H5    5  -0.043809   0.056123   0.110196
-    1SOL     H6    6  -0.030312   0.095588   0.255727
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102459  -0.010513   0.180556
-    0SOL     H2    2  -0.168073  -0.074988   0.207013
-    0SOL     H3    3  -0.098752   0.051296   0.253551
-    1SOL     O4    4   0.107974   0.016117  -0.183807
-    1SOL     H5    5   0.049563  -0.049748  -0.146227
-    1SOL     H6    6   0.132138  -0.019272  -0.269400
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062183  -0.064103  -0.202893
-    0SOL     H2    2  -0.069015  -0.017718  -0.119442
-    0SOL     H3    3   0.002080  -0.133185  -0.186762
-    1SOL     O4    4   0.053852   0.062638   0.195423
-    1SOL     H5    5   0.095559   0.141740   0.161280
-    1SOL     H6    6   0.109032   0.036290   0.269066
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116200  -0.081701  -0.165705
-    0SOL     H2    2   0.134010  -0.160723  -0.114707
-    0SOL     H3    3   0.026576  -0.093213  -0.197287
-    1SOL     O4    4  -0.118730   0.084871   0.166668
-    1SOL     H5    5  -0.054111   0.141105   0.209381
-    1SOL     H6    6  -0.075834   0.055881   0.086158
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024044  -0.072506  -0.222224
-    0SOL     H2    2  -0.066084  -0.006645  -0.166931
-    0SOL     H3    3   0.065894  -0.077200  -0.189797
-    1SOL     O4    4   0.017711   0.074970   0.216383
-    1SOL     H5    5   0.106286   0.066986   0.251782
-    1SOL     H6    6  -0.009241  -0.015141   0.198607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096497   0.192430  -0.081006
-    0SOL     H2    2  -0.060144   0.117946  -0.128891
-    0SOL     H3    3  -0.069266   0.269038  -0.131522
-    1SOL     O4    4   0.087931  -0.196946   0.084329
-    1SOL     H5    5   0.179291  -0.218714   0.102813
-    1SOL     H6    6   0.079638  -0.104938   0.109391
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076523   0.099282   0.205172
-    0SOL     H2    2   0.048235   0.008597   0.216935
-    0SOL     H3    3   0.138962   0.095737   0.132708
-    1SOL     O4    4  -0.084753  -0.096264  -0.203253
-    1SOL     H5    5  -0.003733  -0.137320  -0.233460
-    1SOL     H6    6  -0.055754  -0.020886  -0.151876
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071300   0.010418   0.237737
-    0SOL     H2    2   0.071375  -0.070782   0.187053
-    0SOL     H3    3   0.069769   0.079834   0.171847
-    1SOL     O4    4  -0.075274  -0.007703  -0.237511
-    1SOL     H5    5   0.008521  -0.053969  -0.237226
-    1SOL     H6    6  -0.095210   0.006410  -0.144960
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061879   0.003806  -0.244534
-    0SOL     H2    2   0.060335   0.075338  -0.308120
-    0SOL     H3    3  -0.020272   0.012844  -0.196245
-    1SOL     O4    4  -0.055227  -0.001180   0.243315
-    1SOL     H5    5  -0.003955  -0.071338   0.283458
-    1SOL     H6    6  -0.143802  -0.036882   0.236824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003041  -0.114500  -0.249910
-    0SOL     H2    2   0.078830  -0.172708  -0.255412
-    0SOL     H3    3   0.038222  -0.032504  -0.215251
-    1SOL     O4    4  -0.010519   0.105973   0.245574
-    1SOL     H5    5  -0.030829   0.191498   0.207689
-    1SOL     H6    6   0.031489   0.126128   0.329189
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040340   0.274579   0.018780
-    0SOL     H2    2   0.122587   0.232659  -0.006528
-    0SOL     H3    3   0.046641   0.284383   0.113788
-    1SOL     O4    4  -0.042697  -0.276534  -0.027579
-    1SOL     H5    5  -0.039212  -0.303076   0.064321
-    1SOL     H6    6  -0.078841  -0.187922  -0.025614
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021447   0.121499  -0.258624
-    0SOL     H2    2   0.047110   0.083229  -0.203874
-    0SOL     H3    3  -0.050794   0.049352  -0.314264
-    1SOL     O4    4   0.013858  -0.113940   0.257805
-    1SOL     H5    5   0.074784  -0.087588   0.326769
-    1SOL     H6    6   0.063709  -0.175380   0.203932
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134044  -0.221468  -0.149738
-    0SOL     H2    2  -0.072608  -0.281351  -0.192187
-    0SOL     H3    3  -0.147221  -0.258495  -0.062459
-    1SOL     O4    4   0.133043   0.225527   0.152986
-    1SOL     H5    5   0.179890   0.273666   0.084792
-    1SOL     H6    6   0.044918   0.213468   0.117619
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.220197   0.212620   0.088291
-    0SOL     H2    2   0.257044   0.124942   0.099113
-    0SOL     H3    3   0.278092   0.255360   0.025173
-    1SOL     O4    4  -0.223354  -0.212768  -0.091194
-    1SOL     H5    5  -0.282755  -0.139681  -0.074101
-    1SOL     H6    6  -0.197978  -0.243894  -0.004306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.023227  -0.015230  -0.348172
-    0SOL     H2    2  -0.088719   0.011731  -0.412564
-    0SOL     H3    3  -0.022213   0.055650  -0.283851
-    1SOL     O4    4   0.029088   0.009730   0.354044
-    1SOL     H5    5  -0.053192   0.043910   0.319058
-    1SOL     H6    6   0.071960  -0.031203   0.278886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041079   0.335645  -0.131432
-    0SOL     H2    2  -0.048338   0.247302  -0.095307
-    0SOL     H3    3  -0.102598   0.387788  -0.079868
-    1SOL     O4    4   0.049606  -0.334483   0.121643
-    1SOL     H5    5   0.020202  -0.393087   0.191380
-    1SOL     H6    6  -0.002228  -0.254922   0.133707
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.199115  -0.018728  -0.326127
-    0SOL     H2    2   0.167735  -0.105034  -0.299129
-    0SOL     H3    3   0.136350   0.042646  -0.287966
-    1SOL     O4    4  -0.196215   0.018984   0.315813
-    1SOL     H5    5  -0.241571   0.001877   0.398351
-    1SOL     H6    6  -0.111405   0.054807   0.342012
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.186887   0.066452   0.340634
-    0SOL     H2    2   0.244327   0.058453   0.264484
-    0SOL     H3    3   0.109594   0.112302   0.307681
-    1SOL     O4    4  -0.191426  -0.065761  -0.333101
-    1SOL     H5    5  -0.106253  -0.023480  -0.344063
-    1SOL     H6    6  -0.173187  -0.159260  -0.342465
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030846  -0.040639   0.422783
-    0SOL     H2    2   0.110434   0.010641   0.408700
-    0SOL     H3    3  -0.022062  -0.024792   0.344604
-    1SOL     O4    4  -0.030225   0.042412  -0.416705
-    1SOL     H5    5  -0.059747   0.008630  -0.501259
-    1SOL     H6    6  -0.046529  -0.029146  -0.355255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.251731   0.342649  -0.096457
-    0SOL     H2    2  -0.346781   0.346322  -0.085765
-    0SOL     H3    3  -0.237867   0.278308  -0.165958
-    1SOL     O4    4   0.253903  -0.336303   0.094139
-    1SOL     H5    5   0.253227  -0.429439   0.116219
-    1SOL     H6    6   0.283540  -0.292890   0.174134
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.313652   0.334723  -0.165376
-    0SOL     H2    2  -0.266905   0.405150  -0.210288
-    0SOL     H3    3  -0.291409   0.255825  -0.214799
-    1SOL     O4    4   0.314247  -0.331222   0.174188
-    1SOL     H5    5   0.262621  -0.285666   0.107692
-    1SOL     H6    6   0.292938  -0.423727   0.161903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106655   0.422326   0.240795
-    0SOL     H2    2  -0.178375   0.460917   0.291086
-    0SOL     H3    3  -0.141882   0.339378   0.208529
-    1SOL     O4    4   0.108349  -0.424805  -0.240586
-    1SOL     H5    5   0.180978  -0.392346  -0.187353
-    1SOL     H6    6   0.112178  -0.372655  -0.320761
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099608   0.432642  -0.241047
-    0SOL     H2    2   0.019134   0.457576  -0.286485
-    0SOL     H3    3   0.069628   0.386744  -0.162581
-    1SOL     O4    4  -0.099220  -0.428944   0.242017
-    1SOL     H5    5  -0.041656  -0.391565   0.175297
-    1SOL     H6    6  -0.062760  -0.515749   0.259273
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.452147   0.209929   0.109909
-    0SOL     H2    2   0.503842   0.289211   0.124207
-    0SOL     H3    3   0.465765   0.157806   0.189030
-    1SOL     O4    4  -0.451944  -0.208763  -0.113140
-    1SOL     H5    5  -0.464006  -0.303557  -0.118693
-    1SOL     H6    6  -0.527138  -0.172230  -0.159761
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109693   0.184096   0.479856
-    0SOL     H2    2   0.161319   0.241146   0.422914
-    0SOL     H3    3   0.100486   0.233484   0.561331
-    1SOL     O4    4  -0.107310  -0.193844  -0.480138
-    1SOL     H5    5  -0.111320  -0.130889  -0.552130
-    1SOL     H6    6  -0.189039  -0.180607  -0.432101
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003498   0.008229  -0.570281
-    0SOL     H2    2  -0.062863   0.013912  -0.501533
-    0SOL     H3    3   0.035872   0.097798  -0.579850
-    1SOL     O4    4  -0.003831  -0.018883   0.569113
-    1SOL     H5    5  -0.049402   0.047766   0.517698
-    1SOL     H6    6   0.083989   0.016849   0.582272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.516435   0.153919   0.178731
-    0SOL     H2    2  -0.475472   0.237541   0.200907
-    0SOL     H3    3  -0.610298   0.169763   0.188781
-    1SOL     O4    4   0.517960  -0.164470  -0.177562
-    1SOL     H5    5   0.465629  -0.084631  -0.170523
-    1SOL     H6    6   0.589245  -0.141270  -0.237080
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.365306   0.382171  -0.549147
-    0SOL     H2    2  -0.443602   0.396460  -0.495971
-    0SOL     H3    3  -0.376231   0.293986  -0.584735
-    1SOL     O4    4   0.369475  -0.385068   0.548541
-    1SOL     H5    5   0.446950  -0.334220   0.572511
-    1SOL     H6    6   0.307460  -0.320127   0.515388
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.843477  -0.225804   0.042214
-    0SOL     H2    2   0.886042  -0.222410  -0.043454
-    0SOL     H3    3   0.822175  -0.318274   0.054780
-    1SOL     O4    4  -0.839451   0.234925  -0.040643
-    1SOL     H5    5  -0.902729   0.251494   0.029240
-    1SOL     H6    6  -0.859627   0.146342  -0.070781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041702  -0.980238   0.374868
-    0SOL     H2    2  -0.055316  -1.001266   0.467252
-    0SOL     H3    3  -0.031212  -1.065274   0.332193
-    1SOL     O4    4   0.037913   0.990126  -0.373546
-    1SOL     H5    5   0.130187   0.966071  -0.365229
-    1SOL     H6    6   0.009218   0.947605  -0.454360
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -1.018078   0.398168  -0.262409
-    0SOL     H2    2  -1.090269   0.392997  -0.325052
-    0SOL     H3    3  -1.048178   0.460385  -0.196187
-    1SOL     O4    4   1.028374  -0.407013   0.263437
-    1SOL     H5    5   0.941029  -0.403163   0.224470
-    1SOL     H6    6   1.048651  -0.316204   0.285907
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/430K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039610   0.837126  -0.766029
-    0SOL     H2    2  -0.030528   0.747584  -0.798619
-    0SOL     H3    3   0.042256   0.880100  -0.790798
-    1SOL     O4    4   0.029421  -0.831993   0.765683
-    1SOL     H5    5   0.041002  -0.831772   0.860699
-    1SOL     H6    6   0.107379  -0.876238   0.732108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014370  -0.120127   0.014439
-    0SOL     H2    2   0.057354  -0.181405   0.030655
-    0SOL     H3    3  -0.080602  -0.142896   0.079687
-    1SOL     O4    4   0.019394   0.126857  -0.017850
-    1SOL     H5    5  -0.050112   0.181230  -0.054930
-    1SOL     H6    6  -0.020917   0.040777  -0.006561
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016793   0.115549   0.064245
-    0SOL     H2    2  -0.001345   0.026248   0.033438
-    0SOL     H3    3  -0.079349   0.152042   0.001657
-    1SOL     O4    4   0.017383  -0.109346  -0.053775
-    1SOL     H5    5   0.105656  -0.129553  -0.084788
-    1SOL     H6    6  -0.040468  -0.144601  -0.121397
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060418  -0.118318   0.021514
-    0SOL     H2    2   0.002106  -0.042494   0.025090
-    0SOL     H3    3   0.098543  -0.115156  -0.066229
-    1SOL     O4    4  -0.058602   0.113232  -0.011066
-    1SOL     H5    5  -0.137259   0.096861  -0.063098
-    1SOL     H6    6   0.005015   0.147468  -0.073859
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073873   0.005101  -0.099796
-    0SOL     H2    2  -0.158015  -0.016115  -0.059393
-    0SOL     H3    3  -0.095699   0.027783  -0.190192
-    1SOL     O4    4   0.078830  -0.008434   0.108419
-    1SOL     H5    5   0.153336   0.048303   0.088620
-    1SOL     H6    6   0.027388  -0.009535   0.027705
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112450   0.026685  -0.056871
-    0SOL     H2    2  -0.067423   0.041142  -0.140093
-    0SOL     H3    3  -0.181428   0.093025  -0.055065
-    1SOL     O4    4   0.117081  -0.029003   0.067914
-    1SOL     H5    5   0.032696  -0.004381   0.030029
-    1SOL     H6    6   0.150652  -0.097042   0.009553
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045820   0.031819   0.125950
-    0SOL     H2    2  -0.060689   0.126178   0.119824
-    0SOL     H3    3   0.016465   0.012735   0.055817
-    1SOL     O4    4   0.043154  -0.030891  -0.116539
-    1SOL     H5    5  -0.027790  -0.093926  -0.129024
-    1SOL     H6    6   0.110851  -0.058393  -0.178369
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056473   0.095374  -0.078761
-    0SOL     H2    2  -0.002397   0.049488  -0.014475
-    0SOL     H3    3   0.001025   0.162989  -0.114600
-    1SOL     O4    4   0.051077  -0.092409   0.070990
-    1SOL     H5    5   0.069580  -0.068163   0.161721
-    1SOL     H6    6   0.021045  -0.183155   0.076046
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047108   0.115836  -0.031927
-    0SOL     H2    2   0.101899   0.193245  -0.018963
-    0SOL     H3    3  -0.030157   0.148564  -0.077986
-    1SOL     O4    4  -0.050966  -0.121222   0.036635
-    1SOL     H5    5  -0.011435  -0.204503   0.010870
-    1SOL     H6    6   0.010743  -0.054830   0.005873
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068490  -0.028428  -0.118500
-    0SOL     H2    2   0.090006   0.062758  -0.138109
-    0SOL     H3    3   0.028530  -0.025498  -0.031570
-    1SOL     O4    4  -0.064831   0.022847   0.108580
-    1SOL     H5    5  -0.021753   0.007164   0.192607
-    1SOL     H6    6  -0.157110   0.035145   0.130845
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112676  -0.062946  -0.005686
-    0SOL     H2    2  -0.102215  -0.157949  -0.010917
-    0SOL     H3    3  -0.205622  -0.048045  -0.023046
-    1SOL     O4    4   0.117771   0.073530   0.005751
-    1SOL     H5    5   0.190435   0.012209   0.016799
-    1SOL     H6    6   0.039244   0.019967   0.017009
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-Generated by ForceBalance from calcs/cluster-02/VLE/440K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014788  -0.102333   0.081783
-    0SOL     H2    2  -0.034701  -0.184252   0.036450
-    0SOL     H3    3  -0.090565  -0.087121   0.138253
-    1SOL     O4    4   0.013886   0.107237  -0.083404
-    1SOL     H5    5   0.092289   0.158421  -0.103293
-    1SOL     H6    6   0.046768   0.029589  -0.038106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002530  -0.069791   0.120658
-    0SOL     H2    2   0.010796  -0.004365   0.052072
-    0SOL     H3    3   0.079538  -0.069974   0.169923
-    1SOL     O4    4  -0.001113   0.063777  -0.113055
-    1SOL     H5    5  -0.079710   0.035755  -0.159955
-    1SOL     H6    6   0.042277   0.124450  -0.173043
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.100438  -0.047181  -0.076311
-    0SOL     H2    2   0.088609  -0.142001  -0.070680
-    0SOL     H3    3   0.175297  -0.028921  -0.019523
-    1SOL     O4    4  -0.103245   0.054822   0.078846
-    1SOL     H5    5  -0.182984   0.033164   0.030526
-    1SOL     H6    6  -0.032243   0.020486   0.024606
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076514  -0.050830  -0.105444
-    0SOL     H2    2  -0.105083  -0.140891  -0.090108
-    0SOL     H3    3  -0.018722  -0.031104  -0.031733
-    1SOL     O4    4   0.077601   0.055368   0.094484
-    1SOL     H5    5   0.081780  -0.025861   0.144949
-    1SOL     H6    6   0.028735   0.115829   0.150330
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010341   0.089830  -0.096932
-    0SOL     H2    2  -0.088613   0.144365  -0.089072
-    0SOL     H3    3  -0.006784   0.066172  -0.189614
-    1SOL     O4    4   0.014043  -0.098306   0.104824
-    1SOL     H5    5   0.000561  -0.076124   0.012691
-    1SOL     H6    6   0.033690  -0.014665   0.147019
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050539  -0.122745  -0.012392
-    0SOL     H2    2  -0.144301  -0.116608  -0.030653
-    0SOL     H3    3  -0.020659  -0.196953  -0.064954
-    1SOL     O4    4   0.058379   0.131656   0.014677
-    1SOL     H5    5   0.083246   0.039400   0.020401
-    1SOL     H6    6  -0.034744   0.132827   0.036790
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033524   0.101762  -0.082210
-    0SOL     H2    2   0.043861   0.115766  -0.136778
-    0SOL     H3    3  -0.050663   0.187156  -0.042505
-    1SOL     O4    4   0.035978  -0.106698   0.085839
-    1SOL     H5    5   0.003147  -0.056950   0.010942
-    1SOL     H6    6  -0.033945  -0.168939   0.105818
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005954   0.127285  -0.041448
-    0SOL     H2    2  -0.006571   0.176276   0.040783
-    0SOL     H3    3  -0.045477   0.186810  -0.105143
-    1SOL     O4    4   0.004771  -0.132728   0.046491
-    1SOL     H5    5   0.016964  -0.063065  -0.018012
-    1SOL     H6    6   0.046992  -0.209247   0.007445
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014352  -0.139968  -0.026107
-    0SOL     H2    2   0.034558  -0.046422  -0.027887
-    0SOL     H3    3  -0.052737  -0.151314  -0.093432
-    1SOL     O4    4  -0.011676   0.129221   0.032496
-    1SOL     H5    5   0.062684   0.178748  -0.001855
-    1SOL     H6    6  -0.086458   0.188111   0.022394
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065979   0.042797   0.109224
-    0SOL     H2    2  -0.025903  -0.024840   0.163826
-    0SOL     H3    3  -0.154225   0.053203   0.144814
-    1SOL     O4    4   0.067291  -0.039445  -0.121975
-    1SOL     H5    5   0.145487  -0.073020  -0.078151
-    1SOL     H6    6   0.013491  -0.003954  -0.051206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034560   0.129648   0.011164
-    0SOL     H2    2   0.059325   0.148865   0.101606
-    0SOL     H3    3   0.076521   0.198542  -0.040364
-    1SOL     O4    4  -0.036031  -0.140256  -0.016415
-    1SOL     H5    5  -0.033710  -0.051804  -0.052929
-    1SOL     H6    6  -0.082769  -0.130741   0.066575
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065546   0.130650  -0.014043
-    0SOL     H2    2  -0.027371   0.048690   0.017384
-    0SOL     H3    3  -0.033370   0.139254  -0.103782
-    1SOL     O4    4   0.056153  -0.124835   0.013241
-    1SOL     H5    5   0.064197  -0.204227   0.066103
-    1SOL     H6    6   0.131581  -0.071528   0.038368
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118364   0.050328   0.067687
-    0SOL     H2    2   0.037315   0.002828   0.049326
-    0SOL     H3    3   0.093847   0.114912   0.133945
-    1SOL     O4    4  -0.111361  -0.044583  -0.070172
-    1SOL     H5    5  -0.085684  -0.102961  -0.141551
-    1SOL     H6    6  -0.147475  -0.102827  -0.003345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127173  -0.024636  -0.052003
-    0SOL     H2    2  -0.156922   0.032631  -0.122698
-    0SOL     H3    3  -0.128088  -0.112394  -0.090214
-    1SOL     O4    4   0.127028   0.032088   0.062299
-    1SOL     H5    5   0.213741  -0.007601   0.054069
-    1SOL     H6    6   0.070918  -0.020873   0.005649
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083753  -0.119255   0.028738
-    0SOL     H2    2  -0.030855  -0.039580   0.024731
-    0SOL     H3    3  -0.164555  -0.092245   0.072371
-    1SOL     O4    4   0.079859   0.114982  -0.027013
-    1SOL     H5    5   0.104853   0.146792  -0.113764
-    1SOL     H6    6   0.143104   0.045780  -0.007686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088870  -0.069436  -0.100587
-    0SOL     H2    2  -0.002076  -0.063561  -0.071318
-    0SOL     H3    3   0.137628  -0.015403  -0.038414
-    1SOL     O4    4  -0.080183   0.064875   0.094609
-    1SOL     H5    5  -0.136503   0.020191   0.157805
-    1SOL     H6    6  -0.137147   0.129854   0.053438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095888  -0.085913   0.069901
-    0SOL     H2    2   0.115437  -0.062852  -0.020920
-    0SOL     H3    3   0.062326  -0.175435   0.065239
-    1SOL     O4    4  -0.090577   0.089395  -0.070282
-    1SOL     H5    5  -0.080355   0.048045   0.015438
-    1SOL     H6    6  -0.181030   0.120696  -0.071195
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032339  -0.011052  -0.137373
-    0SOL     H2    2  -0.059558   0.015652  -0.135315
-    0SOL     H3    3   0.049891  -0.029560  -0.229632
-    1SOL     O4    4  -0.035055   0.009098   0.144611
-    1SOL     H5    5   0.027499   0.063034   0.192987
-    1SOL     H6    6   0.012142  -0.017431   0.065674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127083   0.008115   0.080212
-    0SOL     H2    2   0.050238  -0.007979   0.025457
-    0SOL     H3    3   0.094818  -0.000338   0.169933
-    1SOL     O4    4  -0.113828  -0.007730  -0.081419
-    1SOL     H5    5  -0.164781   0.069166  -0.055862
-    1SOL     H6    6  -0.175868  -0.062865  -0.129100
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043740   0.089440   0.114386
-    0SOL     H2    2   0.030709   0.049528   0.028366
-    0SOL     H3    3  -0.044708   0.108362   0.145710
-    1SOL     O4    4  -0.036648  -0.082808  -0.115059
-    1SOL     H5    5  -0.120241  -0.110884  -0.077826
-    1SOL     H6    6   0.026526  -0.147538  -0.083733
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042171  -0.089743   0.101387
-    0SOL     H2    2  -0.000458  -0.104048   0.186344
-    0SOL     H3    3  -0.127174  -0.133128   0.108779
-    1SOL     O4    4   0.046254   0.093875  -0.113373
-    1SOL     H5    5   0.036736   0.009051  -0.070054
-    1SOL     H6    6   0.027905   0.158053  -0.044767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056736   0.132798   0.055452
-    0SOL     H2    2  -0.115568   0.070099   0.097523
-    0SOL     H3    3  -0.018443   0.084405  -0.017720
-    1SOL     O4    4   0.051386  -0.125901  -0.054266
-    1SOL     H5    5   0.115357  -0.081618  -0.110024
-    1SOL     H6    6   0.104200  -0.172052   0.010873
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080342  -0.104593  -0.066837
-    0SOL     H2    2   0.135999  -0.170503  -0.025356
-    0SOL     H3    3  -0.008944  -0.135543  -0.051593
-    1SOL     O4    4  -0.080236   0.114839   0.066366
-    1SOL     H5    5  -0.117022   0.074673  -0.012346
-    1SOL     H6    6  -0.003090   0.061880   0.086521
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076459   0.054892   0.123435
-    0SOL     H2    2  -0.010027   0.065726   0.055378
-    0SOL     H3    3  -0.150174   0.013407   0.078631
-    1SOL     O4    4   0.078477  -0.050412  -0.110628
-    1SOL     H5    5   0.110066  -0.022333  -0.196511
-    1SOL     H6    6   0.022473  -0.125802  -0.129128
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123858  -0.058256  -0.073268
-    0SOL     H2    2  -0.065266  -0.009731  -0.131360
-    0SOL     H3    3  -0.067087  -0.090162  -0.003116
-    1SOL     O4    4   0.118127   0.054006   0.067075
-    1SOL     H5    5   0.129336   0.147449   0.084539
-    1SOL     H6    6   0.095446   0.016259   0.152063
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047732  -0.037996   0.141798
-    0SOL     H2    2  -0.012470  -0.019171   0.054824
-    0SOL     H3    3   0.024100  -0.017713   0.201723
-    1SOL     O4    4   0.038463   0.035025  -0.134330
-    1SOL     H5    5   0.040768  -0.026687  -0.207464
-    1SOL     H6    6   0.091780   0.108934  -0.163606
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101077  -0.090546  -0.076403
-    0SOL     H2    2   0.029102  -0.153392  -0.070726
-    0SOL     H3    3   0.058071  -0.005154  -0.080987
-    1SOL     O4    4  -0.089100   0.092638   0.074002
-    1SOL     H5    5  -0.105423   0.059419   0.162276
-    1SOL     H6    6  -0.165472   0.064885   0.023412
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032446  -0.006315   0.156091
-    0SOL     H2    2  -0.051669  -0.042158   0.069442
-    0SOL     H3    3   0.018529   0.072787   0.138572
-    1SOL     O4    4   0.025223  -0.002035  -0.149213
-    1SOL     H5    5   0.118562  -0.007719  -0.128773
-    1SOL     H6    6   0.010719   0.090339  -0.169682
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027899  -0.119905   0.082703
-    0SOL     H2    2   0.029874  -0.196125   0.086594
-    0SOL     H3    3  -0.109049  -0.153232   0.044411
-    1SOL     O4    4   0.025735   0.130932  -0.084609
-    1SOL     H5    5  -0.010082   0.060044  -0.031182
-    1SOL     H6    6   0.120580   0.123218  -0.074257
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.117525  -0.071863   0.073860
-    0SOL     H2    2  -0.096577  -0.076800   0.167129
-    0SOL     H3    3  -0.044191  -0.023934   0.035297
-    1SOL     O4    4   0.113559   0.069760  -0.071338
-    1SOL     H5    5   0.032245   0.094766  -0.115212
-    1SOL     H6    6   0.171708   0.042468  -0.142304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063119   0.041671   0.127265
-    0SOL     H2    2   0.006742   0.063224   0.201558
-    0SOL     H3    3   0.151772   0.042595   0.163350
-    1SOL     O4    4  -0.071425  -0.047373  -0.137196
-    1SOL     H5    5  -0.018375   0.011884  -0.190456
-    1SOL     H6    6  -0.032786  -0.042156  -0.049776
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068093   0.124289   0.055399
-    0SOL     H2    2  -0.112115   0.204039   0.026001
-    0SOL     H3    3  -0.032039   0.146983   0.141116
-    1SOL     O4    4   0.069320  -0.138147  -0.058149
-    1SOL     H5    5   0.117448  -0.081489  -0.118447
-    1SOL     H6    6   0.010715  -0.078853  -0.011116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029689  -0.092087   0.133964
-    0SOL     H2    2   0.036093  -0.031680   0.168402
-    0SOL     H3    3  -0.037507  -0.068852   0.041436
-    1SOL     O4    4   0.027068   0.081676  -0.132015
-    1SOL     H5    5  -0.045765   0.140055  -0.153220
-    1SOL     H6    6   0.086483   0.135463  -0.079678
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044404   0.143684   0.063708
-    0SOL     H2    2  -0.050574   0.150047   0.053664
-    0SOL     H3    3   0.075848   0.116103  -0.022391
-    1SOL     O4    4  -0.038887  -0.145141  -0.063935
-    1SOL     H5    5  -0.128257  -0.123430  -0.037402
-    1SOL     H6    6   0.015177  -0.119854   0.010899
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096474   0.067192   0.113844
-    0SOL     H2    2  -0.107030  -0.010039   0.169400
-    0SOL     H3    3  -0.015194   0.051302   0.065851
-    1SOL     O4    4   0.091725  -0.059454  -0.107259
-    1SOL     H5    5   0.116616  -0.006769  -0.183200
-    1SOL     H6    6   0.076465  -0.147025  -0.142765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125616   0.060040  -0.085588
-    0SOL     H2    2   0.213640   0.022474  -0.087318
-    0SOL     H3    3   0.076128   0.002540  -0.027218
-    1SOL     O4    4  -0.121461  -0.053984   0.080572
-    1SOL     H5    5  -0.183553   0.014724   0.104783
-    1SOL     H6    6  -0.168856  -0.135697   0.096031
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052622   0.141736   0.044523
-    0SOL     H2    2   0.027868   0.233024   0.059225
-    0SOL     H3    3   0.116696   0.122903   0.113095
-    1SOL     O4    4  -0.053735  -0.149581  -0.054069
-    1SOL     H5    5  -0.093302  -0.167353   0.031260
-    1SOL     H6    6  -0.026834  -0.057837  -0.049408
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.141117   0.074840   0.005961
-    0SOL     H2    2  -0.223479   0.048635   0.047097
-    0SOL     H3    3  -0.105295   0.141652   0.064401
-    1SOL     O4    4   0.143191  -0.083048  -0.016210
-    1SOL     H5    5   0.222040  -0.053107   0.029052
-    1SOL     H6    6   0.075027  -0.021688   0.011193
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044092   0.142367  -0.080919
-    0SOL     H2    2  -0.011003   0.054694  -0.061403
-    0SOL     H3    3  -0.039640   0.188849   0.002639
-    1SOL     O4    4   0.045867  -0.136135   0.073500
-    1SOL     H5    5   0.028060  -0.169483   0.161439
-    1SOL     H6    6  -0.014743  -0.184002   0.016953
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002249   0.148753  -0.091493
-    0SOL     H2    2   0.008810   0.056930  -0.117722
-    0SOL     H3    3  -0.052224   0.147399  -0.012796
-    1SOL     O4    4   0.004473  -0.143529   0.083285
-    1SOL     H5    5   0.013767  -0.088989   0.161396
-    1SOL     H6    6  -0.074820  -0.194766   0.099086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044450  -0.007654   0.167239
-    0SOL     H2    2  -0.033600  -0.030430   0.217753
-    0SOL     H3    3   0.050367  -0.075729   0.100209
-    1SOL     O4    4  -0.040709   0.018274  -0.163165
-    1SOL     H5    5   0.032054  -0.018946  -0.212989
-    1SOL     H6    6  -0.110695  -0.046577  -0.170821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134977  -0.114965   0.046441
-    0SOL     H2    2  -0.065885  -0.052543   0.024259
-    0SOL     H3    3  -0.177212  -0.077542   0.123759
-    1SOL     O4    4   0.132659   0.102651  -0.047083
-    1SOL     H5    5   0.065515   0.163544  -0.077839
-    1SOL     H6    6   0.214500   0.151860  -0.053636
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.129210  -0.121312   0.051564
-    0SOL     H2    2  -0.108415  -0.055060  -0.014320
-    0SOL     H3    3  -0.069382  -0.193593   0.032629
-    1SOL     O4    4   0.118614   0.118760  -0.048479
-    1SOL     H5    5   0.155800   0.111566   0.039429
-    1SOL     H6    6   0.181030   0.173114  -0.096565
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124598   0.119392   0.065049
-    0SOL     H2    2   0.067146   0.050934   0.030770
-    0SOL     H3    3   0.067651   0.173208   0.120033
-    1SOL     O4    4  -0.119208  -0.115093  -0.071763
-    1SOL     H5    5  -0.060668  -0.188899  -0.054790
-    1SOL     H6    6  -0.169281  -0.105066   0.009197
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108784  -0.096467   0.095093
-    0SOL     H2    2   0.151290  -0.167042   0.046362
-    0SOL     H3    3   0.147073  -0.101338   0.182686
-    1SOL     O4    4  -0.113963   0.105408  -0.091273
-    1SOL     H5    5  -0.179799   0.094640  -0.159917
-    1SOL     H6    6  -0.042550   0.047165  -0.117163
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103632   0.096258   0.124896
-    0SOL     H2    2  -0.096279   0.093829   0.029489
-    0SOL     H3    3  -0.013439   0.105133   0.155698
-    1SOL     O4    4   0.099457  -0.095470  -0.113775
-    1SOL     H5    5   0.164003  -0.099251  -0.184357
-    1SOL     H6    6   0.015427  -0.109845  -0.157302
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032594  -0.174959  -0.066231
-    0SOL     H2    2   0.000585  -0.102929  -0.119834
-    0SOL     H3    3  -0.021113  -0.145021   0.023959
-    1SOL     O4    4   0.034429   0.164884   0.066439
-    1SOL     H5    5   0.062345   0.252281   0.039148
-    1SOL     H6    6  -0.061070   0.167207   0.060366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146389   0.070376  -0.081709
-    0SOL     H2    2  -0.102040   0.008520  -0.139754
-    0SOL     H3    3  -0.239625   0.054718  -0.096683
-    1SOL     O4    4   0.149264  -0.063093   0.080332
-    1SOL     H5    5   0.094145  -0.041327   0.155502
-    1SOL     H6    6   0.210361  -0.128836   0.113609
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.081115   0.157765  -0.083376
-    0SOL     H2    2   0.099325   0.076605  -0.130745
-    0SOL     H3    3   0.101923   0.137504   0.007831
-    1SOL     O4    4  -0.083144  -0.153279   0.073680
-    1SOL     H5    5  -0.016854  -0.110820   0.128134
-    1SOL     H6    6  -0.154967  -0.172543   0.133951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.129964  -0.151738  -0.010097
-    0SOL     H2    2  -0.174553  -0.075884  -0.047786
-    0SOL     H3    3  -0.060857  -0.114265   0.044513
-    1SOL     O4    4   0.131647   0.144529   0.003086
-    1SOL     H5    5   0.073866   0.216470   0.028549
-    1SOL     H6    6   0.133462   0.086988   0.079558
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065755   0.037781  -0.178732
-    0SOL     H2    2   0.126737   0.004247  -0.244451
-    0SOL     H3    3   0.098619   0.003319  -0.095698
-    1SOL     O4    4  -0.064204  -0.033180   0.176489
-    1SOL     H5    5  -0.109947  -0.019422   0.259439
-    1SOL     H6    6  -0.133251  -0.057217   0.114707
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.174245  -0.054672   0.079174
-    0SOL     H2    2   0.098663  -0.043076   0.136751
-    0SOL     H3    3   0.149391  -0.126621   0.021141
-    1SOL     O4    4  -0.174215   0.061900  -0.076594
-    1SOL     H5    5  -0.089185   0.095299  -0.105171
-    1SOL     H6    6  -0.168196  -0.032821  -0.089003
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127757  -0.032995   0.158693
-    0SOL     H2    2   0.104160  -0.121071   0.129570
-    0SOL     H3    3   0.175565   0.004701   0.084830
-    1SOL     O4    4  -0.125720   0.042057  -0.152049
-    1SOL     H5    5  -0.217906   0.020455  -0.137999
-    1SOL     H6    6  -0.086780  -0.039042  -0.184745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140010  -0.142899   0.079279
-    0SOL     H2    2   0.091492  -0.157128  -0.001997
-    0SOL     H3    3   0.100989  -0.064070   0.117036
-    1SOL     O4    4  -0.132154   0.134245  -0.071986
-    1SOL     H5    5  -0.224012   0.152515  -0.091751
-    1SOL     H6    6  -0.083149   0.195187  -0.127186
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084782   0.153018   0.129505
-    0SOL     H2    2  -0.146149   0.086230   0.160097
-    0SOL     H3    3  -0.021364   0.161738   0.200670
-    1SOL     O4    4   0.078944  -0.148860  -0.130998
-    1SOL     H5    5   0.072487  -0.181302  -0.220821
-    1SOL     H6    6   0.172430  -0.133051  -0.117855
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024666   0.121922   0.172279
-    0SOL     H2    2  -0.027413   0.093222   0.263554
-    0SOL     H3    3  -0.046849   0.214973   0.175702
-    1SOL     O4    4   0.029660  -0.131787  -0.178330
-    1SOL     H5    5  -0.062783  -0.114672  -0.196320
-    1SOL     H6    6   0.064635  -0.047311  -0.149994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098096   0.171719   0.109468
-    0SOL     H2    2  -0.146167   0.139452   0.185694
-    0SOL     H3    3  -0.030949   0.105374   0.093593
-    1SOL     O4    4   0.093091  -0.169040  -0.117828
-    1SOL     H5    5   0.142270  -0.086934  -0.119317
-    1SOL     H6    6   0.108445  -0.204628  -0.030306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.166535  -0.028898  -0.137917
-    0SOL     H2    2   0.194972  -0.113743  -0.171903
-    0SOL     H3    3   0.240922   0.002520  -0.086518
-    1SOL     O4    4  -0.174202   0.027315   0.140646
-    1SOL     H5    5  -0.194646   0.036928   0.047630
-    1SOL     H6    6  -0.135360   0.111202   0.165475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043333  -0.077213  -0.211772
-    0SOL     H2    2  -0.095998   0.001692  -0.199015
-    0SOL     H3    3   0.044651  -0.052155  -0.183607
-    1SOL     O4    4   0.042259   0.073694   0.203566
-    1SOL     H5    5   0.080859  -0.004930   0.242175
-    1SOL     H6    6  -0.017640   0.106450   0.270659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061839   0.130171  -0.180312
-    0SOL     H2    2   0.076857   0.036188  -0.170108
-    0SOL     H3    3   0.071283   0.145923  -0.274254
-    1SOL     O4    4  -0.061093  -0.122465   0.179662
-    1SOL     H5    5  -0.147104  -0.126602   0.221462
-    1SOL     H6    6  -0.005983  -0.180309   0.232381
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065814   0.219457   0.058894
-    0SOL     H2    2  -0.020124   0.223397  -0.025125
-    0SOL     H3    3  -0.158455   0.227628   0.036239
-    1SOL     O4    4   0.065050  -0.222909  -0.058267
-    1SOL     H5    5   0.033981  -0.205001   0.030482
-    1SOL     H6    6   0.155562  -0.191772  -0.058748
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.230111  -0.058828   0.116132
-    0SOL     H2    2  -0.237811  -0.013274   0.199964
-    0SOL     H3    3  -0.296403  -0.017994   0.060452
-    1SOL     O4    4   0.231933   0.060376  -0.122208
-    1SOL     H5    5   0.219486  -0.034256  -0.129432
-    1SOL     H6    6   0.265470   0.073469  -0.033516
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.216450   0.168702   0.051305
-    0SOL     H2    2   0.165457   0.096812   0.088642
-    0SOL     H3    3   0.273741   0.197027   0.122563
-    1SOL     O4    4  -0.217328  -0.168748  -0.062993
-    1SOL     H5    5  -0.264874  -0.190796   0.017104
-    1SOL     H6    6  -0.155580  -0.100661  -0.036278
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000771   0.156101  -0.238740
-    0SOL     H2    2   0.090328   0.180328  -0.222119
-    0SOL     H3    3  -0.034456   0.129295  -0.153246
-    1SOL     O4    4  -0.005588  -0.160877   0.230552
-    1SOL     H5    5   0.077079  -0.161848   0.278796
-    1SOL     H6    6  -0.028771  -0.068203   0.224525
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115758   0.237673   0.116966
-    0SOL     H2    2  -0.137035   0.194900   0.199912
-    0SOL     H3    3  -0.112811   0.166318   0.053231
-    1SOL     O4    4   0.117179  -0.233310  -0.124045
-    1SOL     H5    5   0.103043  -0.146376  -0.086563
-    1SOL     H6    6   0.123554  -0.291388  -0.048225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011397  -0.012473  -0.291131
-    0SOL     H2    2  -0.077167   0.023836  -0.291771
-    0SOL     H3    3   0.068561   0.063497  -0.302231
-    1SOL     O4    4  -0.012495   0.008972   0.286597
-    1SOL     H5    5   0.070488   0.031421   0.328695
-    1SOL     H6    6  -0.044921  -0.066279   0.336077
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.089038   0.284667  -0.166117
-    0SOL     H2    2   0.127475   0.367829  -0.193847
-    0SOL     H3    3  -0.001792   0.289061  -0.195999
-    1SOL     O4    4  -0.081599  -0.291407   0.165292
-    1SOL     H5    5  -0.175430  -0.308185   0.156542
-    1SOL     H6    6  -0.073156  -0.245216   0.248704
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089731   0.265525   0.261592
-    0SOL     H2    2  -0.128534   0.194435   0.312610
-    0SOL     H3    3  -0.011804   0.226734   0.221780
-    1SOL     O4    4   0.086850  -0.265336  -0.258162
-    1SOL     H5    5   0.097254  -0.258582  -0.353075
-    1SOL     H6    6   0.087317  -0.174676  -0.227456
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.193218   0.017753  -0.335645
-    0SOL     H2    2   0.139063   0.033220  -0.258248
-    0SOL     H3    3   0.276300  -0.014519  -0.300744
-    1SOL     O4    4  -0.190919  -0.021961   0.333319
-    1SOL     H5    5  -0.271084   0.022967   0.360102
-    1SOL     H6    6  -0.168587   0.017116   0.248840
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128185  -0.113009   0.439327
-    0SOL     H2    2  -0.058083  -0.060505   0.477944
-    0SOL     H3    3  -0.165640  -0.161054   0.513159
-    1SOL     O4    4   0.130380   0.111854  -0.451983
-    1SOL     H5    5   0.040591   0.079987  -0.442773
-    1SOL     H6    6   0.147713   0.158703  -0.370331
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.340035   0.221724   0.250266
-    0SOL     H2    2  -0.368983   0.217198   0.159140
-    0SOL     H3    3  -0.338750   0.315289   0.270420
-    1SOL     O4    4   0.345795  -0.227462  -0.240837
-    1SOL     H5    5   0.363792  -0.254971  -0.330735
-    1SOL     H6    6   0.256246  -0.193757  -0.243526
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.393880  -0.014414  -0.279837
-    0SOL     H2    2  -0.443899  -0.090145  -0.249418
-    0SOL     H3    3  -0.343027   0.012988  -0.203513
-    1SOL     O4    4   0.394781   0.011672   0.271712
-    1SOL     H5    5   0.458611   0.082970   0.273863
-    1SOL     H6    6   0.318025   0.046807   0.316837
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.130748  -0.450105  -0.118611
-    0SOL     H2    2   0.185552  -0.487784  -0.187452
-    0SOL     H3    3   0.077760  -0.384220  -0.163486
-    1SOL     O4    4  -0.129365   0.454378   0.122005
-    1SOL     H5    5  -0.182675   0.444385   0.200875
-    1SOL     H6    6  -0.102410   0.365255   0.099806
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075461   0.302763   0.380953
-    0SOL     H2    2  -0.089400   0.221642   0.429814
-    0SOL     H3    3   0.012114   0.293446   0.343454
-    1SOL     O4    4   0.072292  -0.300452  -0.375842
-    1SOL     H5    5   0.003086  -0.239946  -0.402524
-    1SOL     H6    6   0.124611  -0.313454  -0.454937
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.447103   0.271564  -0.211456
-    0SOL     H2    2  -0.432028   0.189598  -0.258537
-    0SOL     H3    3  -0.520542   0.252553  -0.153081
-    1SOL     O4    4   0.451462  -0.266850   0.216820
-    1SOL     H5    5   0.491349  -0.192562   0.171513
-    1SOL     H6    6   0.404523  -0.314381   0.148264
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.240671  -0.268886  -0.485121
-    0SOL     H2    2  -0.176259  -0.304962  -0.424195
-    0SOL     H3    3  -0.202645  -0.283580  -0.571726
-    1SOL     O4    4   0.238043   0.271852   0.492075
-    1SOL     H5    5   0.277602   0.262930   0.405369
-    1SOL     H6    6   0.143812   0.273802   0.475376
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.340298   0.510252   0.264308
-    0SOL     H2    2   0.433566   0.517476   0.284585
-    0SOL     H3    3   0.297804   0.501419   0.349623
-    1SOL     O4    4  -0.348711  -0.508104  -0.273097
-    1SOL     H5    5  -0.269110  -0.544894  -0.311469
-    1SOL     H6    6  -0.332111  -0.508069  -0.178828
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.698929   0.263012   0.100812
-    0SOL     H2    2  -0.687334   0.175217   0.137144
-    0SOL     H3    3  -0.788500   0.287123   0.124435
-    1SOL     O4    4   0.703265  -0.255684  -0.109037
-    1SOL     H5    5   0.756125  -0.255346  -0.029237
-    1SOL     H6    6   0.649023  -0.334196  -0.101561
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.552719  -0.556679  -0.015912
-    0SOL     H2    2   0.625999  -0.511239  -0.057476
-    0SOL     H3    3   0.515322  -0.492095   0.044027
-    1SOL     O4    4  -0.554377   0.549610   0.020440
-    1SOL     H5    5  -0.544736   0.628447  -0.032984
-    1SOL     H6    6  -0.574041   0.480225  -0.042499
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/440K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.352853   0.727194   0.033302
-    0SOL     H2    2  -0.315150   0.790509  -0.027788
-    0SOL     H3    3  -0.286528   0.658578   0.040724
-    1SOL     O4    4   0.347261  -0.720571  -0.027083
-    1SOL     H5    5   0.361362  -0.739090  -0.119929
-    1SOL     H6    6   0.328238  -0.805945   0.011798
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059628   0.087440   0.050884
-    0SOL     H2    2  -0.100019   0.047138   0.127739
-    0SOL     H3    3  -0.116185   0.161871   0.030302
-    1SOL     O4    4   0.071121  -0.089135  -0.058182
-    1SOL     H5    5   0.023772  -0.170607  -0.041369
-    1SOL     H6    6   0.022915  -0.022748  -0.008874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018777   0.094645  -0.076947
-    0SOL     H2    2  -0.108353   0.108892  -0.107531
-    0SOL     H3    3   0.030947   0.075388  -0.156439
-    1SOL     O4    4   0.022960  -0.101042   0.082637
-    1SOL     H5    5   0.007718  -0.037259   0.012911
-    1SOL     H6    6   0.006616  -0.052538   0.163523
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001349  -0.060613   0.118382
-    0SOL     H2    2  -0.019553  -0.009564   0.039484
-    0SOL     H3    3   0.091297  -0.044689   0.136424
-    1SOL     O4    4  -0.008404   0.057924  -0.110970
-    1SOL     H5    5   0.073789   0.106977  -0.111549
-    1SOL     H6    6   0.003965  -0.010409  -0.176848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043124   0.118955   0.044327
-    0SOL     H2    2  -0.006199   0.034984   0.016982
-    0SOL     H3    3  -0.088555   0.151624  -0.033334
-    1SOL     O4    4   0.038848  -0.114544  -0.042096
-    1SOL     H5    5   0.034511  -0.165927   0.038547
-    1SOL     H6    6   0.132333  -0.099173  -0.055760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016820   0.101473   0.084810
-    0SOL     H2    2   0.047470   0.118670   0.153610
-    0SOL     H3    3   0.024417   0.035149   0.029466
-    1SOL     O4    4   0.011900  -0.092870  -0.081985
-    1SOL     H5    5   0.012682  -0.182491  -0.048370
-    1SOL     H6    6  -0.010062  -0.102198  -0.174683
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130836  -0.030651  -0.043211
-    0SOL     H2    2  -0.037394  -0.041214  -0.061079
-    0SOL     H3    3  -0.134375   0.006176   0.045070
-    1SOL     O4    4   0.121696   0.025674   0.043066
-    1SOL     H5    5   0.176300  -0.007099  -0.028395
-    1SOL     H6    6   0.131356   0.120816   0.038960
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002667   0.114507   0.057038
-    0SOL     H2    2   0.068981   0.145015   0.112700
-    0SOL     H3    3  -0.077221   0.169219   0.081746
-    1SOL     O4    4   0.001876  -0.125086  -0.066448
-    1SOL     H5    5   0.059268  -0.126689   0.010141
-    1SOL     H6    6  -0.035586  -0.037001  -0.066526
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024358   0.044322   0.125666
-    0SOL     H2    2  -0.002347  -0.019426   0.191889
-    0SOL     H3    3   0.113277   0.018216   0.101704
-    1SOL     O4    4  -0.028749  -0.035532  -0.133606
-    1SOL     H5    5  -0.012895  -0.003954  -0.044647
-    1SOL     H6    6  -0.029104  -0.130908  -0.125509
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106126  -0.078556  -0.008736
-    0SOL     H2    2   0.190211  -0.034313   0.002862
-    0SOL     H3    3   0.113184  -0.157831   0.044443
-    1SOL     O4    4  -0.111778   0.086133   0.002368
-    1SOL     H5    5  -0.177088   0.043852   0.058130
-    1SOL     H6    6  -0.040137   0.022869  -0.002888
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062168  -0.082697  -0.097081
-    0SOL     H2    2  -0.123265  -0.034933  -0.153188
-    0SOL     H3    3  -0.009061  -0.014518  -0.055928
-    1SOL     O4    4   0.064996   0.072770   0.092377
-    1SOL     H5    5   0.030379   0.038393   0.174731
-    1SOL     H6    6   0.058732   0.167844   0.101537
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028902   0.104964   0.082062
-    0SOL     H2    2   0.108061   0.070300   0.040896
-    0SOL     H3    3   0.058349   0.137414   0.167164
-    1SOL     O4    4  -0.040746  -0.108703  -0.084216
-    1SOL     H5    5  -0.019987  -0.022125  -0.049064
-    1SOL     H6    6   0.037083  -0.133672  -0.134030
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.093719  -0.031499  -0.089704
-    0SOL     H2    2   0.187681  -0.021244  -0.104813
-    0SOL     H3    3   0.062111  -0.079071  -0.166516
-    1SOL     O4    4  -0.097475   0.038238   0.100289
-    1SOL     H5    5  -0.029123   0.017440   0.036589
-    1SOL     H6    6  -0.170726  -0.018509   0.076279
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.081277   0.078500  -0.090624
-    0SOL     H2    2   0.045151   0.027997  -0.017777
-    0SOL     H3    3   0.038602   0.163931  -0.084095
-    1SOL     O4    4  -0.079773  -0.076616   0.081887
-    1SOL     H5    5  -0.042552  -0.052333   0.166664
-    1SOL     H6    6  -0.063209  -0.170597   0.074437
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105151  -0.073596  -0.072235
-    0SOL     H2    2   0.038167  -0.072899  -0.003861
-    0SOL     H3    3   0.135596   0.017032  -0.076930
-    1SOL     O4    4  -0.096898   0.066181   0.071357
-    1SOL     H5    5  -0.178181   0.016195   0.063817
-    1SOL     H6    6  -0.117329   0.151226   0.032468
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131626  -0.055676   0.032729
-    0SOL     H2    2   0.157349   0.021442   0.083261
-    0SOL     H3    3   0.052979  -0.028304  -0.014470
-    1SOL     O4    4  -0.121787   0.047935  -0.034559
-    1SOL     H5    5  -0.162243   0.133677  -0.047746
-    1SOL     H6    6  -0.190286  -0.004870   0.006449
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122487   0.057930   0.051380
-    0SOL     H2    2   0.054506   0.022558  -0.005976
-    0SOL     H3    3   0.195928  -0.002705   0.041781
-    1SOL     O4    4  -0.122428  -0.047059  -0.052484
-    1SOL     H5    5  -0.138933  -0.040271   0.041558
-    1SOL     H6    6  -0.110038  -0.140701  -0.067977
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.069670  -0.128524  -0.010797
-    0SOL     H2    2  -0.008509  -0.055004  -0.014871
-    0SOL     H3    3  -0.035618  -0.184217   0.059212
-    1SOL     O4    4   0.069353   0.124349   0.004030
-    1SOL     H5    5   0.062707   0.162845   0.091415
-    1SOL     H6    6  -0.018496   0.133343  -0.032902
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128437  -0.040642  -0.032449
-    0SOL     H2    2  -0.119689  -0.116167   0.025703
-    0SOL     H3    3  -0.204141  -0.061221  -0.087291
-    1SOL     O4    4   0.134845   0.051050   0.026863
-    1SOL     H5    5   0.174695   0.031381   0.111641
-    1SOL     H6    6   0.054702  -0.001267   0.025300
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065994  -0.127475  -0.041043
-    0SOL     H2    2  -0.023621  -0.117863  -0.126334
-    0SOL     H3    3  -0.062540  -0.039914  -0.002526
-    1SOL     O4    4   0.062651   0.116103   0.039586
-    1SOL     H5    5   0.096338   0.202089   0.014407
-    1SOL     H6    6   0.040408   0.125232   0.132237
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052586   0.092429  -0.088569
-    0SOL     H2    2  -0.008740   0.134760  -0.148649
-    0SOL     H3    3   0.137998   0.102147  -0.130671
-    1SOL     O4    4  -0.051759  -0.100989   0.095326
-    1SOL     H5    5  -0.103909  -0.051764   0.158726
-    1SOL     H6    6  -0.045909  -0.043334   0.019142
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125911  -0.036250   0.071073
-    0SOL     H2    2   0.043282  -0.009821   0.030623
-    0SOL     H3    3   0.104119  -0.050277   0.163217
-    1SOL     O4    4  -0.119440   0.031407  -0.068337
-    1SOL     H5    5  -0.144057   0.123904  -0.067553
-    1SOL     H6    6  -0.112141   0.009302  -0.161183
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039734   0.077870   0.112035
-    0SOL     H2    2   0.052907   0.127325   0.031146
-    0SOL     H3    3   0.048195   0.143023   0.181646
-    1SOL     O4    4  -0.040374  -0.087776  -0.118020
-    1SOL     H5    5  -0.086845  -0.008483  -0.091276
-    1SOL     H6    6  -0.004086  -0.122904  -0.036708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016901  -0.063498  -0.127613
-    0SOL     H2    2  -0.039646  -0.144829  -0.172672
-    0SOL     H3    3  -0.099599  -0.032640  -0.090585
-    1SOL     O4    4   0.017804   0.070020   0.128535
-    1SOL     H5    5   0.077857   0.057110   0.055122
-    1SOL     H6    6   0.051094   0.012253   0.197216
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018216  -0.142298   0.015574
-    0SOL     H2    2   0.025483  -0.161420   0.098562
-    0SOL     H3    3  -0.110861  -0.134727   0.038422
-    1SOL     O4    4   0.016980   0.146044  -0.025583
-    1SOL     H5    5   0.028319   0.051823  -0.013087
-    1SOL     H6    6   0.075935   0.186000   0.038371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071080   0.114756   0.045184
-    0SOL     H2    2  -0.056065   0.194471  -0.005634
-    0SOL     H3    3  -0.036741   0.134956   0.132219
-    1SOL     O4    4   0.067347  -0.126629  -0.046610
-    1SOL     H5    5   0.132167  -0.080653  -0.099966
-    1SOL     H6    6   0.023383  -0.057369   0.002712
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.147321   0.032834   0.021243
-    0SOL     H2    2  -0.138728   0.092130  -0.053407
-    0SOL     H3    3  -0.062481  -0.011131   0.026858
-    1SOL     O4    4   0.137204  -0.029774  -0.019818
-    1SOL     H5    5   0.153842  -0.121980  -0.039402
-    1SOL     H6    6   0.205961  -0.005636   0.042248
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137276  -0.000420  -0.031734
-    0SOL     H2    2  -0.177526  -0.061165  -0.093800
-    0SOL     H3    3  -0.193928   0.076714  -0.033475
-    1SOL     O4    4   0.148130   0.003697   0.035047
-    1SOL     H5    5   0.132194  -0.064220   0.100588
-    1SOL     H6    6   0.073459  -0.002448  -0.024526
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067416   0.108245   0.075336
-    0SOL     H2    2  -0.039907   0.018954   0.096138
-    0SOL     H3    3  -0.024591   0.162577   0.141490
-    1SOL     O4    4   0.063507  -0.100525  -0.076550
-    1SOL     H5    5   0.131414  -0.130796  -0.136838
-    1SOL     H6    6  -0.004866  -0.167297  -0.081934
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093352   0.071417  -0.096826
-    0SOL     H2    2  -0.034579   0.057024  -0.170994
-    0SOL     H3    3  -0.076391  -0.002257  -0.038116
-    1SOL     O4    4   0.090492  -0.071072   0.095236
-    1SOL     H5    5   0.139572   0.011065   0.097883
-    1SOL     H6    6   0.009504  -0.052174   0.142628
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006900  -0.103731   0.115266
-    0SOL     H2    2   0.011727  -0.130774   0.023572
-    0SOL     H3    3   0.042290  -0.014797   0.115952
-    1SOL     O4    4  -0.008006   0.094307  -0.112288
-    1SOL     H5    5   0.049995   0.169427  -0.099833
-    1SOL     H6    6  -0.090778   0.121009  -0.072313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113831   0.092153   0.012082
-    0SOL     H2    2   0.189620   0.069315  -0.041741
-    0SOL     H3    3   0.071220   0.163450  -0.035493
-    1SOL     O4    4  -0.120310  -0.091713  -0.010557
-    1SOL     H5    5  -0.024778  -0.092747  -0.016474
-    1SOL     H6    6  -0.140105  -0.143926   0.067188
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136258  -0.021177   0.052365
-    0SOL     H2    2  -0.199643   0.048794   0.068138
-    0SOL     H3    3  -0.158064  -0.054106  -0.034827
-    1SOL     O4    4   0.144180   0.023486  -0.050521
-    1SOL     H5    5   0.051060   0.003035  -0.059051
-    1SOL     H6    6   0.180138  -0.049156   0.000395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006270  -0.014158   0.154480
-    0SOL     H2    2   0.033057   0.068321   0.182994
-    0SOL     H3    3   0.004953  -0.014497   0.059421
-    1SOL     O4    4   0.006931   0.005167  -0.147378
-    1SOL     H5    5   0.024088   0.098241  -0.161702
-    1SOL     H6    6  -0.075607  -0.011314  -0.192965
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030291   0.146845   0.010264
-    0SOL     H2    2   0.084231   0.133048   0.088126
-    0SOL     H3    3  -0.057393   0.164090   0.044562
-    1SOL     O4    4  -0.023436  -0.149087  -0.012476
-    1SOL     H5    5  -0.092893  -0.198965  -0.055489
-    1SOL     H6    6  -0.031103  -0.060915  -0.048933
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078716   0.126125   0.031407
-    0SOL     H2    2   0.160670   0.145998  -0.013880
-    0SOL     H3    3   0.097820   0.047185   0.082062
-    1SOL     O4    4  -0.089735  -0.125647  -0.035175
-    1SOL     H5    5  -0.042952  -0.154178   0.043309
-    1SOL     H6    6  -0.051839  -0.040249  -0.055989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054148  -0.016715   0.140335
-    0SOL     H2    2  -0.040793   0.077959   0.135766
-    0SOL     H3    3  -0.149222  -0.027658   0.138467
-    1SOL     O4    4   0.063870   0.014793  -0.143899
-    1SOL     H5    5   0.044252  -0.075644  -0.119432
-    1SOL     H6    6  -0.004292   0.066570  -0.101057
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080002   0.087828   0.093236
-    0SOL     H2    2  -0.134208   0.138761   0.032987
-    0SOL     H3    3  -0.133746   0.011796   0.115441
-    1SOL     O4    4   0.085613  -0.093009  -0.090437
-    1SOL     H5    5   0.084159  -0.028952  -0.019325
-    1SOL     H6    6   0.103252  -0.041251  -0.169001
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040184  -0.088189   0.125145
-    0SOL     H2    2   0.114346  -0.070680   0.067217
-    0SOL     H3    3  -0.035105  -0.094818   0.066409
-    1SOL     O4    4  -0.039992   0.094207  -0.115521
-    1SOL     H5    5   0.007429   0.060219  -0.191405
-    1SOL     H6    6  -0.090348   0.019475  -0.083245
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113652   0.096758  -0.036158
-    0SOL     H2    2   0.063988   0.151777  -0.096728
-    0SOL     H3    3   0.133338   0.017612  -0.086265
-    1SOL     O4    4  -0.114586  -0.102301   0.042638
-    1SOL     H5    5  -0.045409  -0.070925  -0.015606
-    1SOL     H6    6  -0.140215  -0.025165   0.093191
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.143598  -0.020217  -0.045786
-    0SOL     H2    2   0.219898   0.014701   0.000272
-    0SOL     H3    3   0.168723  -0.109448  -0.069636
-    1SOL     O4    4  -0.152867   0.020890   0.039247
-    1SOL     H5    5  -0.063073   0.054022   0.037972
-    1SOL     H6    6  -0.183251   0.037338   0.128514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063565   0.050787   0.132171
-    0SOL     H2    2   0.027462   0.064302   0.158511
-    0SOL     H3    3  -0.109458   0.030867   0.213776
-    1SOL     O4    4   0.068015  -0.048123  -0.138008
-    1SOL     H5    5  -0.000999  -0.038873  -0.072329
-    1SOL     H6    6   0.026405  -0.095481  -0.210037
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033957  -0.154288   0.013250
-    0SOL     H2    2   0.118574  -0.198258   0.021551
-    0SOL     H3    3   0.026135  -0.102029   0.093063
-    1SOL     O4    4  -0.044496   0.154113  -0.017307
-    1SOL     H5    5   0.018323   0.098640   0.028941
-    1SOL     H6    6   0.008849   0.205117  -0.078260
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.114948   0.105613   0.042135
-    0SOL     H2    2  -0.170493   0.092998   0.119063
-    0SOL     H3    3  -0.074238   0.020199   0.027662
-    1SOL     O4    4   0.118520  -0.104225  -0.041104
-    1SOL     H5    5   0.039655  -0.119981  -0.093010
-    1SOL     H6    6   0.146857  -0.016411  -0.066558
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127417   0.097214   0.000675
-    0SOL     H2    2   0.044348   0.115751  -0.043122
-    0SOL     H3    3   0.139363   0.170251   0.061381
-    1SOL     O4    4  -0.127503  -0.102977  -0.007126
-    1SOL     H5    5  -0.140252  -0.063126   0.078965
-    1SOL     H6    6  -0.039723  -0.140948  -0.003233
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067446  -0.095159   0.115980
-    0SOL     H2    2  -0.050414  -0.033937   0.044398
-    0SOL     H3    3  -0.134116  -0.154523   0.081436
-    1SOL     O4    4   0.073994   0.089443  -0.112179
-    1SOL     H5    5   0.002551   0.127344  -0.163381
-    1SOL     H6    6   0.078917   0.144081  -0.033739
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.117780  -0.099118  -0.056925
-    0SOL     H2    2  -0.046581  -0.133940  -0.110594
-    0SOL     H3    3  -0.136567  -0.013229  -0.094774
-    1SOL     O4    4   0.118441   0.090921   0.064362
-    1SOL     H5    5   0.035384   0.086171   0.017019
-    1SOL     H6    6   0.133433   0.184586   0.077184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066860  -0.086277  -0.124447
-    0SOL     H2    2   0.125345  -0.099766  -0.049883
-    0SOL     H3    3  -0.014392  -0.130294  -0.099487
-    1SOL     O4    4  -0.069140   0.094144   0.117048
-    1SOL     H5    5  -0.017758   0.032383   0.065012
-    1SOL     H6    6  -0.054352   0.067253   0.207714
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003878   0.061309  -0.158707
-    0SOL     H2    2  -0.014140   0.001545  -0.086140
-    0SOL     H3    3  -0.016705   0.010597  -0.237237
-    1SOL     O4    4  -0.000147  -0.058427   0.153927
-    1SOL     H5    5   0.034793   0.023502   0.188987
-    1SOL     H6    6  -0.067039  -0.084950   0.217049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029643  -0.170634  -0.028523
-    0SOL     H2    2  -0.034560  -0.144759   0.063502
-    0SOL     H3    3  -0.088718  -0.110303  -0.073606
-    1SOL     O4    4   0.037015   0.170151   0.022726
-    1SOL     H5    5   0.062313   0.112151   0.094547
-    1SOL     H6    6  -0.054160   0.147413   0.004493
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068254  -0.116705   0.108275
-    0SOL     H2    2   0.067720  -0.093213   0.201066
-    0SOL     H3    3   0.072149  -0.212344   0.107755
-    1SOL     O4    4  -0.064104   0.124156  -0.116417
-    1SOL     H5    5  -0.154907   0.147901  -0.097626
-    1SOL     H6    6  -0.052687   0.038497  -0.075251
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089674  -0.106726   0.117304
-    0SOL     H2    2  -0.072261  -0.125417   0.209552
-    0SOL     H3    3  -0.092263  -0.011175   0.112251
-    1SOL     O4    4   0.090392   0.102507  -0.116526
-    1SOL     H5    5   0.145680   0.090510  -0.193738
-    1SOL     H6    6   0.001814   0.111680  -0.151627
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044500  -0.178043  -0.024371
-    0SOL     H2    2   0.060866  -0.248903   0.037865
-    0SOL     H3    3   0.037550  -0.099529   0.029939
-    1SOL     O4    4  -0.042809   0.182328   0.013003
-    1SOL     H5    5  -0.131670   0.172606   0.047231
-    1SOL     H6    6   0.007863   0.114924   0.058295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102620   0.122037   0.097960
-    0SOL     H2    2  -0.085611   0.070380   0.019191
-    0SOL     H3    3  -0.084367   0.212305   0.071868
-    1SOL     O4    4   0.103331  -0.119756  -0.088426
-    1SOL     H5    5   0.073424  -0.106425  -0.178371
-    1SOL     H6    6   0.089684  -0.213096  -0.072183
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.155806  -0.102961   0.038967
-    0SOL     H2    2  -0.146506  -0.154624  -0.041076
-    0SOL     H3    3  -0.066282  -0.092108   0.071062
-    1SOL     O4    4   0.150524   0.099534  -0.033099
-    1SOL     H5    5   0.101496   0.114373  -0.113960
-    1SOL     H6    6   0.183245   0.186100  -0.008645
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.090486   0.161434  -0.008556
-    0SOL     H2    2  -0.134017   0.195927   0.069403
-    0SOL     H3    3  -0.158324   0.111183  -0.053668
-    1SOL     O4    4   0.101660  -0.161189   0.011022
-    1SOL     H5    5   0.033364  -0.223037  -0.014917
-    1SOL     H6    6   0.086541  -0.084298  -0.043948
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.184021  -0.031730   0.030714
-    0SOL     H2    2  -0.236618  -0.016250  -0.047748
-    0SOL     H3    3  -0.156075   0.055511   0.058470
-    1SOL     O4    4   0.189532   0.020056  -0.028318
-    1SOL     H5    5   0.202462   0.107052  -0.066092
-    1SOL     H6    6   0.107065   0.026803   0.019807
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.182019  -0.042525   0.011963
-    0SOL     H2    2   0.255301  -0.028504   0.071926
-    0SOL     H3    3   0.217751  -0.022820  -0.074623
-    1SOL     O4    4  -0.193288   0.035987  -0.009660
-    1SOL     H5    5  -0.103205   0.030563   0.022244
-    1SOL     H6    6  -0.197651   0.120158  -0.055032
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077126  -0.174759  -0.069147
-    0SOL     H2    2   0.171898  -0.178817  -0.081957
-    0SOL     H3    3   0.064818  -0.107468  -0.002194
-    1SOL     O4    4  -0.076771   0.167846   0.068216
-    1SOL     H5    5  -0.077438   0.239798   0.005090
-    1SOL     H6    6  -0.168784   0.155541   0.091551
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000983  -0.025567   0.198348
-    0SOL     H2    2  -0.006660  -0.033667   0.293555
-    0SOL     H3    3  -0.090015  -0.042390   0.167481
-    1SOL     O4    4   0.006302   0.020301  -0.201638
-    1SOL     H5    5   0.060443   0.080809  -0.252332
-    1SOL     H6    6  -0.053817   0.076797  -0.153097
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024199   0.186878  -0.074070
-    0SOL     H2    2  -0.067760   0.207330  -0.091032
-    0SOL     H3    3   0.063741   0.180269  -0.160990
-    1SOL     O4    4  -0.016706  -0.189320   0.081038
-    1SOL     H5    5  -0.042882  -0.131347   0.009510
-    1SOL     H6    6  -0.098673  -0.211365   0.125283
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017930   0.051215   0.197117
-    0SOL     H2    2   0.019633  -0.008479   0.261831
-    0SOL     H3    3   0.027620   0.134136   0.211668
-    1SOL     O4    4   0.012784  -0.050803  -0.195470
-    1SOL     H5    5  -0.059812  -0.079972  -0.250618
-    1SOL     H6    6   0.089087  -0.052749  -0.253230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033632   0.040294   0.203087
-    0SOL     H2    2  -0.026136   0.120823   0.151889
-    0SOL     H3    3  -0.124159   0.039967   0.234185
-    1SOL     O4    4   0.034579  -0.041102  -0.206173
-    1SOL     H5    5   0.101125  -0.107124  -0.225537
-    1SOL     H6    6   0.030461  -0.038498  -0.110577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043084  -0.209247  -0.002820
-    0SOL     H2    2   0.042039  -0.236878  -0.036776
-    0SOL     H3    3  -0.072654  -0.141913  -0.064090
-    1SOL     O4    4   0.040588   0.209794   0.003322
-    1SOL     H5    5   0.108232   0.173326   0.060389
-    1SOL     H6    6  -0.041739   0.189782   0.047866
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070682  -0.185561   0.086884
-    0SOL     H2    2  -0.042499  -0.200757  -0.003323
-    0SOL     H3    3  -0.040771  -0.096830   0.106747
-    1SOL     O4    4   0.065598   0.187785  -0.084474
-    1SOL     H5    5   0.057759   0.111009  -0.141098
-    1SOL     H6    6   0.111899   0.155854  -0.007020
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.131974   0.134202  -0.097577
-    0SOL     H2    2  -0.054639   0.142737  -0.041820
-    0SOL     H3    3  -0.196425   0.193142  -0.058406
-    1SOL     O4    4   0.137286  -0.142017   0.093757
-    1SOL     H5    5   0.135742  -0.050297   0.066418
-    1SOL     H6    6   0.045206  -0.164775   0.106630
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135131  -0.026148   0.163198
-    0SOL     H2    2  -0.145039  -0.011659   0.069101
-    0SOL     H3    3  -0.210639  -0.079814   0.187298
-    1SOL     O4    4   0.139359   0.034660  -0.159638
-    1SOL     H5    5   0.119128  -0.018563  -0.082694
-    1SOL     H6    6   0.175988  -0.027311  -0.222728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.164145   0.143805   0.007885
-    0SOL     H2    2   0.140244   0.103693  -0.075674
-    0SOL     H3    3   0.088921   0.198437   0.030667
-    1SOL     O4    4  -0.157972  -0.150113  -0.007550
-    1SOL     H5    5  -0.183223  -0.061957  -0.034994
-    1SOL     H6    6  -0.133960  -0.140600   0.084619
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045518  -0.197703   0.068031
-    0SOL     H2    2  -0.073394  -0.275182   0.116839
-    0SOL     H3    3  -0.107856  -0.129641   0.093405
-    1SOL     O4    4   0.050199   0.203588  -0.076089
-    1SOL     H5    5   0.126270   0.146283  -0.066514
-    1SOL     H6    6  -0.015704   0.165933  -0.017770
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.172859   0.047030  -0.125838
-    0SOL     H2    2   0.244922   0.070861  -0.067518
-    0SOL     H3    3   0.205875   0.065815  -0.213698
-    1SOL     O4    4  -0.180882  -0.044998   0.123522
-    1SOL     H5    5  -0.214593  -0.072392   0.208818
-    1SOL     H6    6  -0.106010  -0.102501   0.107713
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061253  -0.186731  -0.108619
-    0SOL     H2    2  -0.108014  -0.269334  -0.120958
-    0SOL     H3    3   0.007902  -0.207459  -0.045767
-    1SOL     O4    4   0.062455   0.187251   0.101833
-    1SOL     H5    5  -0.007289   0.179093   0.166882
-    1SOL     H6    6   0.088400   0.279299   0.105879
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032295   0.111086   0.203945
-    0SOL     H2    2  -0.060725   0.122568   0.223379
-    0SOL     H3    3   0.042995   0.016625   0.192767
-    1SOL     O4    4  -0.027223  -0.111591  -0.199523
-    1SOL     H5    5   0.008403  -0.118116  -0.288126
-    1SOL     H6    6  -0.069926  -0.025959  -0.197074
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039920   0.136826  -0.197065
-    0SOL     H2    2  -0.000624   0.051571  -0.178363
-    0SOL     H3    3  -0.113403   0.143282  -0.136067
-    1SOL     O4    4   0.036929  -0.134957   0.195577
-    1SOL     H5    5   0.121891  -0.105611   0.228480
-    1SOL     H6    6   0.040147  -0.117164   0.101581
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020638   0.231702   0.011586
-    0SOL     H2    2  -0.072306   0.252779   0.020500
-    0SOL     H3    3   0.066088   0.308396   0.046438
-    1SOL     O4    4  -0.020473  -0.233944  -0.008227
-    1SOL     H5    5   0.016771  -0.186977  -0.082855
-    1SOL     H6    6  -0.016401  -0.326187  -0.033467
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057892  -0.042255  -0.225055
-    0SOL     H2    2  -0.040837  -0.132276  -0.252760
-    0SOL     H3    3  -0.038785   0.010707  -0.302465
-    1SOL     O4    4   0.054534   0.049645   0.234238
-    1SOL     H5    5   0.121248  -0.016545   0.252417
-    1SOL     H6    6   0.010084   0.017955   0.155611
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039390   0.150065  -0.193674
-    0SOL     H2    2   0.131101   0.157849  -0.219961
-    0SOL     H3    3  -0.008138   0.205284  -0.255756
-    1SOL     O4    4  -0.037734  -0.147584   0.200863
-    1SOL     H5    5  -0.052462  -0.224896   0.255344
-    1SOL     H6    6  -0.085338  -0.165884   0.119861
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102648   0.215615  -0.090574
-    0SOL     H2    2  -0.047922   0.148446  -0.131265
-    0SOL     H3    3  -0.071119   0.298007  -0.127719
-    1SOL     O4    4   0.092990  -0.213080   0.092320
-    1SOL     H5    5   0.175349  -0.229989   0.046567
-    1SOL     H6    6   0.103752  -0.255354   0.177523
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050501   0.120852  -0.233298
-    0SOL     H2    2   0.086633   0.102192  -0.146646
-    0SOL     H3    3  -0.029603   0.170233  -0.215773
-    1SOL     O4    4  -0.047166  -0.118838   0.232670
-    1SOL     H5    5  -0.118560  -0.179140   0.211960
-    1SOL     H6    6   0.011182  -0.123821   0.156954
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.239594  -0.128971   0.044139
-    0SOL     H2    2   0.147310  -0.129756   0.018733
-    0SOL     H3    3   0.285217  -0.093680  -0.032251
-    1SOL     O4    4  -0.236937   0.123190  -0.044118
-    1SOL     H5    5  -0.312204   0.172028  -0.010772
-    1SOL     H6    6  -0.165989   0.143984   0.016680
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128869  -0.006004  -0.246200
-    0SOL     H2    2  -0.173943  -0.043267  -0.321977
-    0SOL     H3    3  -0.130654  -0.075659  -0.180570
-    1SOL     O4    4   0.132598   0.007238   0.244953
-    1SOL     H5    5   0.186021   0.048736   0.312675
-    1SOL     H6    6   0.069209   0.074430   0.219865
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.156591  -0.067500  -0.222040
-    0SOL     H2    2   0.170005   0.006530  -0.281218
-    0SOL     H3    3   0.229675  -0.062519  -0.160426
-    1SOL     O4    4  -0.165687   0.060517   0.225617
-    1SOL     H5    5  -0.154016   0.050858   0.131104
-    1SOL     H6    6  -0.096010   0.120434   0.252403
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.271360  -0.084576   0.006445
-    0SOL     H2    2  -0.356558  -0.128039   0.002618
-    0SOL     H3    3  -0.276762  -0.015335  -0.059426
-    1SOL     O4    4   0.274356   0.087855  -0.005874
-    1SOL     H5    5   0.347381   0.030246  -0.028478
-    1SOL     H6    6   0.243687   0.055603   0.078870
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021382   0.309742  -0.045595
-    0SOL     H2    2  -0.073109   0.338066   0.029799
-    0SOL     H3    3   0.038287   0.243727  -0.010325
-    1SOL     O4    4   0.024709  -0.312329   0.035200
-    1SOL     H5    5   0.055336  -0.259805   0.109130
-    1SOL     H6    6  -0.065960  -0.284626   0.022008
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.206749   0.291501  -0.079752
-    0SOL     H2    2   0.203694   0.312519   0.013582
-    0SOL     H3    3   0.264516   0.357880  -0.117422
-    1SOL     O4    4  -0.216165  -0.296860   0.074479
-    1SOL     H5    5  -0.166261  -0.216141   0.086984
-    1SOL     H6    6  -0.153159  -0.366898   0.091429
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097398  -0.356388  -0.106000
-    0SOL     H2    2  -0.053233  -0.439009  -0.086369
-    0SOL     H3    3  -0.044154  -0.316471  -0.174804
-    1SOL     O4    4   0.086134   0.363055   0.109487
-    1SOL     H5    5   0.105745   0.310288   0.032070
-    1SOL     H6    6   0.160998   0.349270   0.167519
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.393551   0.023168   0.036760
-    0SOL     H2    2  -0.384967  -0.068248   0.063813
-    0SOL     H3    3  -0.411468   0.018818  -0.057167
-    1SOL     O4    4   0.389696  -0.013500  -0.035637
-    1SOL     H5    5   0.453294   0.006707   0.032988
-    1SOL     H6    6   0.403855  -0.106178  -0.054943
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104246   0.232388   0.356811
-    0SOL     H2    2   0.046158   0.170671   0.401298
-    0SOL     H3    3   0.106247   0.202252   0.265981
-    1SOL     O4    4  -0.097515  -0.226852  -0.349763
-    1SOL     H5    5  -0.184001  -0.267806  -0.352063
-    1SOL     H6    6  -0.081131  -0.200277  -0.440248
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111640   0.406151  -0.163876
-    0SOL     H2    2   0.144742   0.488038  -0.126983
-    0SOL     H3    3   0.071664   0.360818  -0.089652
-    1SOL     O4    4  -0.110165  -0.404536   0.152377
-    1SOL     H5    5  -0.065934  -0.487283   0.171319
-    1SOL     H6    6  -0.174605  -0.395160   0.222533
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.323305   0.486543   0.196638
-    0SOL     H2    2   0.387769   0.546336   0.234473
-    0SOL     H3    3   0.263837   0.466503   0.268918
-    1SOL     O4    4  -0.326575  -0.482943  -0.202861
-    1SOL     H5    5  -0.363024  -0.563816  -0.166897
-    1SOL     H6    6  -0.236151  -0.505159  -0.225047
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.651408   0.033219   0.211568
-    0SOL     H2    2   0.730639  -0.020484   0.212481
-    0SOL     H3    3   0.581941  -0.026950   0.184805
-    1SOL     O4    4  -0.651764  -0.027342  -0.216680
-    1SOL     H5    5  -0.575828  -0.005954  -0.162471
-    1SOL     H6    6  -0.724600  -0.032919  -0.154825
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/450K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161011   0.340381   0.711047
-    0SOL     H2    2  -0.182753   0.293767   0.791773
-    0SOL     H3    3  -0.172284   0.275164   0.641896
-    1SOL     O4    4   0.161515  -0.340711  -0.710384
-    1SOL     H5    5   0.181224  -0.293482  -0.791275
-    1SOL     H6    6   0.162786  -0.273377  -0.642363
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117382  -0.040007  -0.057708
-    0SOL     H2    2   0.068510   0.021631  -0.112249
-    0SOL     H3    3   0.060976  -0.054839   0.018191
-    1SOL     O4    4  -0.109462   0.034811   0.049315
-    1SOL     H5    5  -0.144974  -0.017267   0.121351
-    1SOL     H6    6  -0.098487   0.122455   0.086199
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116484   0.062672  -0.029211
-    0SOL     H2    2   0.163682  -0.020064  -0.019749
-    0SOL     H3    3   0.024640   0.039646  -0.015183
-    1SOL     O4    4  -0.114330  -0.051044   0.024919
-    1SOL     H5    5  -0.101929  -0.069410   0.118038
-    1SOL     H6    6  -0.121671  -0.137361  -0.015797
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021541   0.066189   0.116313
-    0SOL     H2    2  -0.003091   0.029681   0.031326
-    0SOL     H3    3   0.117203   0.068960   0.114426
-    1SOL     O4    4  -0.021810  -0.059850  -0.114266
-    1SOL     H5    5  -0.117449  -0.063344  -0.112474
-    1SOL     H6    6   0.005898  -0.131564  -0.057242
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099664   0.079457   0.006485
-    0SOL     H2    2  -0.144683   0.097148  -0.076115
-    0SOL     H3    3  -0.167901   0.045033   0.064114
-    1SOL     O4    4   0.108501  -0.083541   0.000296
-    1SOL     H5    5   0.047967  -0.010753   0.014429
-    1SOL     H6    6   0.129675  -0.079384  -0.092960
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033701  -0.084974  -0.093533
-    0SOL     H2    2  -0.086699  -0.148496  -0.045384
-    0SOL     H3    3   0.052379  -0.126189  -0.100867
-    1SOL     O4    4   0.034992   0.094921   0.095804
-    1SOL     H5    5   0.059376   0.072591   0.005976
-    1SOL     H6    6  -0.054176   0.061489   0.105483
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053443   0.015416  -0.126205
-    0SOL     H2    2   0.040706   0.013777  -0.031351
-    0SOL     H3    3   0.039147   0.106821  -0.150762
-    1SOL     O4    4  -0.046880  -0.016362   0.121418
-    1SOL     H5    5  -0.140615  -0.003985   0.106492
-    1SOL     H6    6  -0.037877  -0.109509   0.141542
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063245  -0.107838   0.037666
-    0SOL     H2    2   0.144080  -0.155290   0.018266
-    0SOL     H3    3   0.058106  -0.107259   0.133246
-    1SOL     O4    4  -0.068037   0.116172  -0.037370
-    1SOL     H5    5  -0.101952   0.110855  -0.126722
-    1SOL     H6    6  -0.025952   0.031480  -0.022595
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126985   0.037308  -0.043552
-    0SOL     H2    2   0.052758   0.026908   0.015985
-    0SOL     H3    3   0.202017   0.052144   0.014002
-    1SOL     O4    4  -0.129859  -0.031752   0.035684
-    1SOL     H5    5  -0.117404  -0.106755  -0.022467
-    1SOL     H6    6  -0.093675  -0.060189   0.119615
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/08/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2   0.094104   0.087709   0.097606
-    0SOL     H3    3  -0.041473   0.133321   0.147179
-    1SOL     O4    4  -0.004673  -0.119789  -0.077038
-    1SOL     H5    5  -0.090500  -0.154899  -0.053302
-    1SOL     H6    6  -0.008942  -0.027358  -0.052531
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-    6
-    0SOL     O1    1   0.011438  -0.120642  -0.059580
-    0SOL     H2    2   0.102146  -0.151120  -0.057224
-    0SOL     H3    3  -0.035336  -0.179931  -0.000764
-    1SOL     O4    4  -0.008252   0.128475   0.057991
-    1SOL     H5    5  -0.094058   0.170680   0.062282
-    1SOL     H6    6  -0.025937   0.041810   0.021402
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.026694   0.079849   0.102243
-    0SOL     H2    2   0.091617   0.148147   0.119056
-    0SOL     H3    3  -0.028803   0.079770   0.180232
-    1SOL     O4    4  -0.025550  -0.081093  -0.113149
-    1SOL     H5    5  -0.020719  -0.033796  -0.030071
-    1SOL     H6    6  -0.057485  -0.168143  -0.089385
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.025677   0.105930  -0.091910
-    0SOL     H2    2   0.009960   0.051519  -0.014743
-    0SOL     H3    3  -0.061787   0.128178  -0.123806
-    1SOL     O4    4  -0.023415  -0.100229   0.085459
-    1SOL     H5    5   0.033228  -0.173739   0.062001
-    1SOL     H6    6  -0.022277  -0.098642   0.181159
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.066222  -0.093738   0.090465
-    0SOL     H2    2   0.082459  -0.021375   0.150981
-    0SOL     H3    3   0.016380  -0.054398   0.018837
-    1SOL     O4    4  -0.059857   0.083287  -0.086717
-    1SOL     H5    5  -0.135137   0.126165  -0.046013
-    1SOL     H6    6  -0.063654   0.110179  -0.178503
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033412   0.129180   0.036339
-    0SOL     H2    2   0.046828   0.114883   0.086533
-    0SOL     H3    3  -0.092715   0.172517   0.097718
-    1SOL     O4    4   0.036684  -0.135094  -0.048009
-    1SOL     H5    5   0.002095  -0.048028  -0.067641
-    1SOL     H6    6  -0.001256  -0.157384   0.036996
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113746  -0.062611   0.042959
-    0SOL     H2    2  -0.207859  -0.045408   0.045976
-    0SOL     H3    3  -0.089492  -0.079423   0.134017
-    1SOL     O4    4   0.124489   0.063228  -0.048542
-    1SOL     H5    5   0.062728   0.121094  -0.093259
-    1SOL     H6    6   0.069803  -0.005677  -0.010809
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119388   0.053676  -0.056550
-    0SOL     H2    2  -0.049023   0.055597   0.008315
-    0SOL     H3    3  -0.167558   0.135124  -0.042122
-    1SOL     O4    4   0.117712  -0.051425   0.050567
-    1SOL     H5    5   0.143303  -0.120643  -0.010395
-    1SOL     H6    6   0.105975  -0.096313   0.134290
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035268  -0.124364   0.057715
-    0SOL     H2    2  -0.088138  -0.199379   0.030513
-    0SOL     H3    3   0.047902  -0.135675   0.011702
-    1SOL     O4    4   0.027927   0.131907  -0.057436
-    1SOL     H5    5   0.086348   0.177618   0.003060
-    1SOL     H6    6   0.056971   0.040745  -0.054573
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029669  -0.048406   0.125639
-    0SOL     H2    2   0.124341  -0.041534   0.137983
-    0SOL     H3    3  -0.000345  -0.101593   0.199345
-    1SOL     O4    4  -0.035327   0.057578  -0.132372
-    1SOL     H5    5  -0.039347  -0.022045  -0.185346
-    1SOL     H6    6   0.003672   0.029405  -0.049621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056765  -0.069007   0.117997
-    0SOL     H2    2  -0.008627  -0.057657   0.199949
-    0SOL     H3    3  -0.003495  -0.023987   0.052439
-    1SOL     O4    4   0.044884   0.066930  -0.116142
-    1SOL     H5    5   0.072970  -0.012933  -0.160813
-    1SOL     H6    6   0.121202   0.124587  -0.119813
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013983   0.103120   0.095377
-    0SOL     H2    2  -0.008354   0.188117   0.051717
-    0SOL     H3    3  -0.094017   0.108237   0.147634
-    1SOL     O4    4   0.013424  -0.107957  -0.100948
-    1SOL     H5    5   0.097004  -0.154488  -0.097563
-    1SOL     H6    6   0.009511  -0.059614  -0.018425
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032550   0.026304   0.136442
-    0SOL     H2    2  -0.102859  -0.032430   0.164176
-    0SOL     H3    3  -0.073933   0.112454   0.131147
-    1SOL     O4    4   0.034000  -0.030510  -0.140314
-    1SOL     H5    5   0.116549  -0.017233  -0.186916
-    1SOL     H6    6   0.048336   0.009074  -0.054349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.053462  -0.128364   0.041396
-    0SOL     H2    2  -0.120838  -0.176907   0.089002
-    0SOL     H3    3  -0.077680  -0.036438   0.052602
-    1SOL     O4    4   0.059596   0.127585  -0.038853
-    1SOL     H5    5   0.066595   0.040174  -0.077227
-    1SOL     H6    6   0.039900   0.184836  -0.112994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017595   0.099580   0.113804
-    0SOL     H2    2   0.048842   0.051606   0.037094
-    0SOL     H3    3  -0.068565   0.062105   0.132091
-    1SOL     O4    4  -0.019085  -0.089270  -0.107569
-    1SOL     H5    5  -0.037142  -0.183054  -0.101178
-    1SOL     H6    6   0.063017  -0.083917  -0.156486
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008235  -0.034289  -0.136607
-    0SOL     H2    2   0.032119   0.040142  -0.191850
-    0SOL     H3    3   0.044561  -0.110405  -0.181873
-    1SOL     O4    4  -0.014558   0.033849   0.147572
-    1SOL     H5    5  -0.021855  -0.027235   0.074238
-    1SOL     H6    6   0.048185   0.099717   0.117789
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123648   0.076907  -0.015241
-    0SOL     H2    2   0.168092   0.147376   0.031888
-    0SOL     H3    3   0.040565   0.115378  -0.043158
-    1SOL     O4    4  -0.125092  -0.079999   0.008621
-    1SOL     H5    5  -0.054950  -0.144757   0.001643
-    1SOL     H6    6  -0.134369  -0.064708   0.102655
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089747  -0.116480  -0.008566
-    0SOL     H2    2  -0.033487  -0.123688  -0.085671
-    0SOL     H3    3  -0.059281  -0.185843   0.049940
-    1SOL     O4    4   0.087593   0.125721   0.013115
-    1SOL     H5    5   0.115905   0.085882  -0.069186
-    1SOL     H6    6   0.003618   0.083994   0.032337
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094344  -0.088401   0.074323
-    0SOL     H2    2  -0.132356  -0.012650   0.029834
-    0SOL     H3    3  -0.114757  -0.162487   0.017253
-    1SOL     O4    4   0.098883   0.094032  -0.073073
-    1SOL     H5    5   0.160782   0.031201  -0.035882
-    1SOL     H6    6   0.013817   0.067467  -0.038138
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.009673   0.143310  -0.025129
-    0SOL     H2    2  -0.025587   0.202927   0.040937
-    0SOL     H3    3   0.086876   0.188370  -0.059358
-    1SOL     O4    4  -0.013229  -0.154610   0.019872
-    1SOL     H5    5   0.012046  -0.146599   0.111847
-    1SOL     H6    6  -0.020016  -0.064295  -0.011105
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.003145  -0.132293  -0.083567
-    0SOL     H2    2  -0.088126  -0.107405  -0.047220
-    0SOL     H3    3   0.047713  -0.161446  -0.007897
-    1SOL     O4    4  -0.000427   0.131666   0.079797
-    1SOL     H5    5   0.084834   0.094937   0.103117
-    1SOL     H6    6   0.016476   0.183496   0.001119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063364  -0.042090  -0.138700
-    0SOL     H2    2  -0.019842  -0.055936  -0.183947
-    0SOL     H3    3   0.040330  -0.041368  -0.045795
-    1SOL     O4    4  -0.050922   0.042807   0.134334
-    1SOL     H5    5  -0.098675  -0.023634   0.184008
-    1SOL     H6    6  -0.116614   0.109389   0.113995
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010130  -0.076319  -0.137113
-    0SOL     H2    2   0.033384  -0.016320  -0.207977
-    0SOL     H3    3  -0.014165  -0.019163  -0.064276
-    1SOL     O4    4  -0.007753   0.064944   0.131939
-    1SOL     H5    5   0.034849   0.144594   0.163612
-    1SOL     H6    6  -0.090103   0.060816   0.180558
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.133438   0.066224   0.004241
-    0SOL     H2    2   0.178331  -0.015789  -0.016270
-    0SOL     H3    3   0.196020   0.115130   0.057664
-    1SOL     O4    4  -0.143675  -0.063280  -0.000941
-    1SOL     H5    5  -0.168817  -0.096871  -0.086975
-    1SOL     H6    6  -0.049755  -0.046333  -0.008303
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.052721  -0.134312  -0.070398
-    0SOL     H2    2  -0.039923  -0.124112  -0.048596
-    0SOL     H3    3   0.094924  -0.057205  -0.032505
-    1SOL     O4    4  -0.050992   0.122589   0.066940
-    1SOL     H5    5  -0.005311   0.178128   0.003765
-    1SOL     H6    6  -0.078451   0.182638   0.136238
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052864  -0.093052   0.118573
-    0SOL     H2    2   0.148266  -0.096069   0.125759
-    0SOL     H3    3   0.036441  -0.047001   0.036281
-    1SOL     O4    4  -0.059559   0.092133  -0.108528
-    1SOL     H5    5   0.009384   0.137989  -0.156552
-    1SOL     H6    6  -0.083660   0.018883  -0.165237
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.040904  -0.030491  -0.142159
-    0SOL     H2    2   0.000063  -0.036841  -0.228436
-    0SOL     H3    3  -0.087714  -0.113322  -0.131664
-    1SOL     O4    4   0.045892   0.035256   0.151762
-    1SOL     H5    5   0.054389   0.017989   0.057997
-    1SOL     H6    6  -0.042559   0.070452   0.161764
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.032662  -0.113576  -0.112989
-    0SOL     H2    2  -0.043992  -0.047093  -0.180916
-    0SOL     H3    3   0.003320  -0.065702  -0.038318
-    1SOL     O4    4   0.035022   0.104561   0.107064
-    1SOL     H5    5   0.012634   0.057453   0.187325
-    1SOL     H6    6  -0.007757   0.189672   0.116465
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120785   0.062164   0.078138
-    0SOL     H2    2  -0.063571   0.124110   0.123432
-    0SOL     H3    3  -0.180522   0.117248   0.027545
-    1SOL     O4    4   0.124816  -0.064884  -0.082401
-    1SOL     H5    5   0.133044  -0.155136  -0.051589
-    1SOL     H6    6   0.047455  -0.031083  -0.037289
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050947   0.090544   0.113163
-    0SOL     H2    2  -0.050380   0.045614   0.197681
-    0SOL     H3    3  -0.100834   0.170700   0.128930
-    1SOL     O4    4   0.055153  -0.096094  -0.124120
-    1SOL     H5    5  -0.005067  -0.021926  -0.118207
-    1SOL     H6    6   0.087894  -0.107595  -0.034913
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022586  -0.099016  -0.128931
-    0SOL     H2    2   0.117145  -0.109317  -0.118220
-    0SOL     H3    3  -0.003644  -0.041801  -0.056814
-    1SOL     O4    4  -0.024230   0.096996   0.117976
-    1SOL     H5    5  -0.092693   0.036407   0.146329
-    1SOL     H6    6   0.001619   0.143058   0.197803
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146973  -0.050536  -0.038264
-    0SOL     H2    2  -0.151620  -0.054070  -0.133806
-    0SOL     H3    3  -0.102852  -0.131750  -0.013364
-    1SOL     O4    4   0.149239   0.058330   0.045236
-    1SOL     H5    5   0.112873  -0.027145   0.068339
-    1SOL     H6    6   0.104961   0.082018  -0.036254
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013842  -0.002089   0.168899
-    0SOL     H2    2   0.001126   0.079386   0.120294
-    0SOL     H3    3  -0.018982  -0.070333   0.110353
-    1SOL     O4    4  -0.003876   0.002618  -0.163824
-    1SOL     H5    5  -0.043483  -0.058489  -0.101699
-    1SOL     H6    6  -0.078259   0.046959  -0.204609
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149846  -0.061521   0.030131
-    0SOL     H2    2   0.077986  -0.124710   0.032502
-    0SOL     H3    3   0.175189  -0.057448  -0.062084
-    1SOL     O4    4  -0.152344   0.066462  -0.029114
-    1SOL     H5    5  -0.060037   0.081769  -0.049296
-    1SOL     H6    6  -0.151635   0.027231   0.058195
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.160719   0.003601   0.041460
-    0SOL     H2    2   0.070621   0.027427   0.019620
-    0SOL     H3    3   0.186392   0.066275   0.109100
-    1SOL     O4    4  -0.153467  -0.014068  -0.040080
-    1SOL     H5    5  -0.211971   0.053990  -0.006799
-    1SOL     H6    6  -0.149347   0.001833  -0.134380
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066336   0.143484   0.047157
-    0SOL     H2    2  -0.148746   0.148705  -0.001253
-    0SOL     H3    3  -0.081538   0.075883   0.113197
-    1SOL     O4    4   0.073376  -0.139254  -0.055135
-    1SOL     H5    5   0.013877  -0.199694  -0.010759
-    1SOL     H6    6   0.111756  -0.087212   0.015440
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.100610  -0.121902   0.033926
-    0SOL     H2    2  -0.042601  -0.191439   0.064940
-    0SOL     H3    3  -0.188158  -0.150060   0.060476
-    1SOL     O4    4   0.100702   0.132835  -0.039779
-    1SOL     H5    5   0.085505   0.044441  -0.073214
-    1SOL     H6    6   0.149915   0.119708   0.041265
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041927  -0.161708  -0.056766
-    0SOL     H2    2   0.060665  -0.080130  -0.103201
-    0SOL     H3    3   0.031606  -0.135434   0.034698
-    1SOL     O4    4  -0.044685   0.149112   0.054135
-    1SOL     H5    5  -0.086851   0.227915   0.019866
-    1SOL     H6    6   0.038501   0.180060   0.089979
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134516   0.001302  -0.097000
-    0SOL     H2    2  -0.181188  -0.040810  -0.169185
-    0SOL     H3    3  -0.116446   0.089858  -0.128523
-    1SOL     O4    4   0.139566   0.001667   0.103131
-    1SOL     H5    5   0.137953  -0.064099   0.033600
-    1SOL     H6    6   0.080841  -0.032987   0.170308
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.087075   0.141378  -0.067317
-    0SOL     H2    2  -0.004236   0.102782  -0.038848
-    0SOL     H3    3  -0.154011   0.092695  -0.019235
-    1SOL     O4    4   0.087825  -0.130582   0.062247
-    1SOL     H5    5   0.000627  -0.161992   0.086169
-    1SOL     H6    6   0.140648  -0.210026   0.054453
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077703   0.143676   0.060937
-    0SOL     H2    2  -0.082530   0.177557   0.150330
-    0SOL     H3    3   0.009611   0.104963   0.054627
-    1SOL     O4    4   0.075646  -0.146551  -0.070444
-    1SOL     H5    5   0.117553  -0.091324  -0.004443
-    1SOL     H6    6  -0.017550  -0.143214  -0.048866
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018354  -0.107414  -0.139616
-    0SOL     H2    2  -0.088490  -0.172458  -0.143163
-    0SOL     H3    3  -0.050974  -0.040185  -0.079795
-    1SOL     O4    4   0.019670   0.104765   0.132399
-    1SOL     H5    5   0.114900   0.097536   0.138817
-    1SOL     H6    6  -0.005433   0.158531   0.207508
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.096248   0.152150  -0.023855
-    0SOL     H2    2   0.165498   0.122626  -0.082975
-    0SOL     H3    3   0.019049   0.160855  -0.079773
-    1SOL     O4    4  -0.102620  -0.150657   0.028153
-    1SOL     H5    5  -0.064455  -0.184346   0.109214
-    1SOL     H6    6  -0.027494  -0.121091  -0.023269
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.159169   0.020000   0.082446
-    0SOL     H2    2   0.080229  -0.015681   0.123160
-    0SOL     H3    3   0.230222  -0.034814   0.115750
-    1SOL     O4    4  -0.151986  -0.017466  -0.084254
-    1SOL     H5    5  -0.207170   0.048311  -0.041942
-    1SOL     H6    6  -0.202495  -0.045721  -0.160496
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.171431   0.041218  -0.061867
-    0SOL     H2    2  -0.134599   0.123335  -0.094462
-    0SOL     H3    3  -0.095451  -0.009464  -0.033217
-    1SOL     O4    4   0.169706  -0.039279   0.060193
-    1SOL     H5    5   0.120926  -0.032872   0.142301
-    1SOL     H6    6   0.134794  -0.117560   0.017584
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098477  -0.150724  -0.057955
-    0SOL     H2    2  -0.044387  -0.221738  -0.092502
-    0SOL     H3    3  -0.120824  -0.098062  -0.134699
-    1SOL     O4    4   0.099076   0.147809   0.060461
-    1SOL     H5    5   0.124745   0.172614   0.149276
-    1SOL     H6    6   0.023540   0.203266   0.040939
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.145821  -0.107045  -0.037101
-    0SOL     H2    2  -0.170443  -0.187219  -0.083234
-    0SOL     H3    3  -0.214743  -0.094792   0.028183
-    1SOL     O4    4   0.150251   0.104159   0.037063
-    1SOL     H5    5   0.197755   0.165570   0.093049
-    1SOL     H6    6   0.121068   0.157030  -0.037201
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.169956   0.072057  -0.056906
-    0SOL     H2    2   0.225892   0.120686  -0.117476
-    0SOL     H3    3   0.111452   0.021658  -0.113471
-    1SOL     O4    4  -0.168745  -0.066166   0.059479
-    1SOL     H5    5  -0.132919  -0.151502   0.035054
-    1SOL     H6    6  -0.224535  -0.084318   0.135112
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063039  -0.175228  -0.059280
-    0SOL     H2    2   0.032634  -0.201590   0.027571
-    0SOL     H3    3  -0.005836  -0.204794  -0.118815
-    1SOL     O4    4  -0.051785   0.177926   0.056999
-    1SOL     H5    5  -0.106887   0.244259   0.098543
-    1SOL     H6    6  -0.113076   0.109994   0.028877
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097445   0.140103   0.118503
-    0SOL     H2    2  -0.049983   0.193892   0.055128
-    0SOL     H3    3  -0.112882   0.057345   0.072949
-    1SOL     O4    4   0.088890  -0.135892  -0.112564
-    1SOL     H5    5   0.133049  -0.197828  -0.170669
-    1SOL     H6    6   0.154936  -0.113091  -0.047139
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021899  -0.142724  -0.147682
-    0SOL     H2    2  -0.034755  -0.133523  -0.053277
-    0SOL     H3    3   0.073105  -0.141017  -0.159244
-    1SOL     O4    4   0.015071   0.141092   0.137453
-    1SOL     H5    5   0.003358   0.090393   0.217795
-    1SOL     H6    6   0.073596   0.212574   0.162502
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119850  -0.154445   0.064430
-    0SOL     H2    2   0.087416  -0.066846   0.043532
-    0SOL     H3    3   0.182540  -0.140524   0.135412
-    1SOL     O4    4  -0.122555   0.141726  -0.064695
-    1SOL     H5    5  -0.178942   0.218368  -0.054260
-    1SOL     H6    6  -0.049226   0.172924  -0.117722
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000777  -0.170708   0.113045
-    0SOL     H2    2   0.004992  -0.113687   0.189710
-    0SOL     H3    3   0.010642  -0.259097   0.147963
-    1SOL     O4    4   0.002784   0.173246  -0.126420
-    1SOL     H5    5   0.045536   0.147537  -0.044728
-    1SOL     H6    6  -0.089138   0.185348  -0.102626
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.188306  -0.066375   0.078969
-    0SOL     H2    2  -0.227349  -0.153228   0.069249
-    0SOL     H3    3  -0.204074  -0.023428  -0.005110
-    1SOL     O4    4   0.190047   0.074720  -0.076640
-    1SOL     H5    5   0.126685   0.009764  -0.046170
-    1SOL     H6    6   0.275267   0.037896  -0.053319
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070382   0.208371  -0.025855
-    0SOL     H2    2   0.011211   0.185041  -0.097387
-    0SOL     H3    3   0.014705   0.253495   0.037598
-    1SOL     O4    4  -0.064294  -0.203517   0.023064
-    1SOL     H5    5  -0.029237  -0.226842   0.109025
-    1SOL     H6    6  -0.099035  -0.285627  -0.011771
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058218   0.211536  -0.072308
-    0SOL     H2    2   0.100339   0.137766  -0.116422
-    0SOL     H3    3   0.062777   0.189625   0.020759
-    1SOL     O4    4  -0.056330  -0.204401   0.073724
-    1SOL     H5    5  -0.132009  -0.149331   0.053666
-    1SOL     H6    6  -0.066338  -0.280634   0.016710
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.141727  -0.175781  -0.005273
-    0SOL     H2    2  -0.157828  -0.244167  -0.070284
-    0SOL     H3    3  -0.096736  -0.220768   0.066241
-    1SOL     O4    4   0.142071   0.182377  -0.000952
-    1SOL     H5    5   0.080896   0.245045   0.037682
-    1SOL     H6    6   0.164935   0.123633   0.071081
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075493  -0.178735   0.121564
-    0SOL     H2    2   0.024512  -0.231144   0.059785
-    0SOL     H3    3   0.153073  -0.231779   0.139727
-    1SOL     O4    4  -0.080806   0.180392  -0.121878
-    1SOL     H5    5  -0.087544   0.213239  -0.032223
-    1SOL     H6    6  -0.011081   0.232706  -0.161427
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126443  -0.115971   0.166890
-    0SOL     H2    2  -0.183938  -0.192014   0.175501
-    0SOL     H3    3  -0.153966  -0.074194   0.085284
-    1SOL     O4    4   0.127554   0.122628  -0.160359
-    1SOL     H5    5   0.137361   0.092241  -0.250596
-    1SOL     H6    6   0.189022   0.069082  -0.110190
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063324  -0.202043   0.114794
-    0SOL     H2    2  -0.037982  -0.292720   0.132046
-    0SOL     H3    3  -0.044890  -0.155983   0.196654
-    1SOL     O4    4   0.059594   0.197935  -0.121923
-    1SOL     H5    5   0.144371   0.238136  -0.102976
-    1SOL     H6    6  -0.003057   0.270048  -0.115841
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030917  -0.246601   0.016920
-    0SOL     H2    2  -0.013580  -0.152977   0.007110
-    0SOL     H3    3   0.016547  -0.287507  -0.055442
-    1SOL     O4    4   0.022418   0.247344  -0.010357
-    1SOL     H5    5   0.067326   0.252117  -0.094754
-    1SOL     H6    6   0.068158   0.178057   0.037281
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046067  -0.081300  -0.244865
-    0SOL     H2    2  -0.131452  -0.041896  -0.262727
-    0SOL     H3    3  -0.066421  -0.169147  -0.212754
-    1SOL     O4    4   0.052367   0.077673   0.246684
-    1SOL     H5    5   0.048345   0.099045   0.153467
-    1SOL     H6    6   0.036830   0.161024   0.291107
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123844  -0.034581  -0.233660
-    0SOL     H2    2   0.205542   0.015103  -0.238049
-    0SOL     H3    3   0.121303  -0.068741  -0.144279
-    1SOL     O4    4  -0.128219   0.034085   0.222669
-    1SOL     H5    5  -0.179370   0.087334   0.283582
-    1SOL     H6    6  -0.080876  -0.027526   0.278571
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.023276  -0.151846  -0.261889
-    0SOL     H2    2  -0.012273  -0.110980  -0.176032
-    0SOL     H3    3  -0.088000  -0.097139  -0.306389
-    1SOL     O4    4   0.022081   0.149769   0.262540
-    1SOL     H5    5  -0.000274   0.081538   0.199238
-    1SOL     H6    6   0.117783   0.151465   0.263205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084541  -0.205526  -0.204644
-    0SOL     H2    2   0.042857  -0.221431  -0.289330
-    0SOL     H3    3   0.135677  -0.284674  -0.187824
-    1SOL     O4    4  -0.087836   0.217017   0.210472
-    1SOL     H5    5  -0.135835   0.139657   0.180910
-    1SOL     H6    6   0.004249   0.191269   0.206040
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.167132   0.140823  -0.210915
-    0SOL     H2    2  -0.193416   0.178272  -0.294992
-    0SOL     H3    3  -0.241702   0.087073  -0.184222
-    1SOL     O4    4   0.177976  -0.137593   0.211644
-    1SOL     H5    5   0.094105  -0.094204   0.227306
-    1SOL     H6    6   0.167679  -0.224465   0.250496
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.204342  -0.012409   0.225003
-    0SOL     H2    2  -0.296577  -0.037239   0.231211
-    0SOL     H3    3  -0.163709  -0.051495   0.302357
-    1SOL     O4    4   0.209398   0.022155  -0.229068
-    1SOL     H5    5   0.238247  -0.045577  -0.290243
-    1SOL     H6    6   0.137131  -0.018162  -0.180960
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011947  -0.080431  -0.303431
-    0SOL     H2    2   0.038151  -0.015170  -0.254507
-    0SOL     H3    3   0.045055  -0.104683  -0.376403
-    1SOL     O4    4   0.003595   0.076083   0.299686
-    1SOL     H5    5   0.043265   0.020802   0.367010
-    1SOL     H6    6   0.021709   0.165585   0.328383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043372  -0.212272  -0.320780
-    0SOL     H2    2  -0.023363  -0.247365  -0.234002
-    0SOL     H3    3  -0.129061  -0.170815  -0.310728
-    1SOL     O4    4   0.052301   0.208730   0.312138
-    1SOL     H5    5  -0.027891   0.167404   0.344134
-    1SOL     H6    6   0.041723   0.301422   0.333551
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006792  -0.178777  -0.366120
-    0SOL     H2    2  -0.086821  -0.165669  -0.381191
-    0SOL     H3    3   0.016982  -0.172100  -0.271179
-    1SOL     O4    4  -0.007890   0.178511   0.364819
-    1SOL     H5    5   0.014294   0.192668   0.272788
-    1SOL     H6    6   0.073695   0.148405   0.404815
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135688  -0.298676   0.314257
-    0SOL     H2    2   0.199417  -0.367513   0.295217
-    0SOL     H3    3   0.094936  -0.325786   0.396516
-    1SOL     O4    4  -0.135711   0.297053  -0.319095
-    1SOL     H5    5  -0.176814   0.339521  -0.243800
-    1SOL     H6    6  -0.112051   0.369201  -0.377380
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.318234   0.206484   0.261027
-    0SOL     H2    2  -0.359417   0.145167   0.321909
-    0SOL     H3    3  -0.236269   0.231331   0.303765
-    1SOL     O4    4   0.321980  -0.202268  -0.267386
-    1SOL     H5    5   0.295061  -0.294107  -0.265579
-    1SOL     H6    6   0.239807  -0.153179  -0.267848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097995  -0.462353   0.067604
-    0SOL     H2    2  -0.056189  -0.516868   0.000951
-    0SOL     H3    3  -0.039108  -0.387589   0.077853
-    1SOL     O4    4   0.098927   0.461172  -0.065125
-    1SOL     H5    5   0.046259   0.454401   0.014515
-    1SOL     H6    6   0.034876   0.472313  -0.135380
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.205877  -0.150855  -0.405891
-    0SOL     H2    2  -0.249415  -0.126996  -0.324053
-    0SOL     H3    3  -0.196058  -0.068042  -0.452880
-    1SOL     O4    4   0.209256   0.141384   0.399030
-    1SOL     H5    5   0.148166   0.117414   0.468713
-    1SOL     H6    6   0.243709   0.226645   0.425598
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.284000   0.039170  -0.411637
-    0SOL     H2    2  -0.375583   0.015332  -0.397267
-    0SOL     H3    3  -0.240965  -0.043331  -0.434087
-    1SOL     O4    4   0.284497  -0.036374   0.405804
-    1SOL     H5    5   0.354109   0.028395   0.416826
-    1SOL     H6    6   0.246588  -0.045965   0.493172
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.355831  -0.359802  -0.134649
-    0SOL     H2    2   0.390034  -0.437811  -0.090978
-    0SOL     H3    3   0.420804  -0.339549  -0.201959
-    1SOL     O4    4  -0.363964   0.362540   0.142209
-    1SOL     H5    5  -0.328292   0.294596   0.084995
-    1SOL     H6    6  -0.358891   0.442768   0.090248
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.488503   0.175631  -0.136002
-    0SOL     H2    2   0.502917   0.134816  -0.221376
-    0SOL     H3    3   0.458552   0.104063  -0.079937
-    1SOL     O4    4  -0.493082  -0.166958   0.140870
-    1SOL     H5    5  -0.488777  -0.213316   0.057236
-    1SOL     H6    6  -0.402844  -0.166620   0.172795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104689  -0.566065   0.246413
-    0SOL     H2    2   0.088836  -0.645043   0.298118
-    0SOL     H3    3   0.197522  -0.570595   0.223529
-    1SOL     O4    4  -0.108021   0.576922  -0.251194
-    1SOL     H5    5  -0.140008   0.495954  -0.290986
-    1SOL     H6    6  -0.099528   0.556201  -0.158131
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.577387  -0.148493  -0.415783
-    0SOL     H2    2   0.564937  -0.054064  -0.406266
-    0SOL     H3    3   0.553901  -0.184534  -0.330274
-    1SOL     O4    4  -0.572901   0.140192   0.413522
-    1SOL     H5    5  -0.627787   0.152983   0.336151
-    1SOL     H6    6  -0.567385   0.226925   0.453638
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.709166  -0.258583   0.011426
-    0SOL     H2    2  -0.682249  -0.237898  -0.078072
-    0SOL     H3    3  -0.802755  -0.277464   0.004582
-    1SOL     O4    4   0.719082   0.257989  -0.003373
-    1SOL     H5    5   0.637931   0.222816   0.033229
-    1SOL     H6    6   0.692090   0.301308  -0.084350
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.458610  -0.650408  -0.055430
-    0SOL     H2    2   0.481395  -0.641671  -0.147987
-    0SOL     H3    3   0.428299  -0.740772  -0.046603
-    1SOL     O4    4  -0.463704   0.652632   0.058268
-    1SOL     H5    5  -0.386634   0.678597   0.007787
-    1SOL     H6    6  -0.442359   0.676289   0.148529
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/460K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.173876  -0.637619  -0.638473
-    0SOL     H2    2   0.159309  -0.623824  -0.732067
-    0SOL     H3    3   0.245689  -0.700776  -0.634416
-    1SOL     O4    4  -0.182552   0.642109   0.640994
-    1SOL     H5    5  -0.115104   0.696851   0.681200
-    1SOL     H6    6  -0.147196   0.553272   0.645503
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076059  -0.109476   0.014923
-    0SOL     H2    2   0.027703  -0.027081   0.020850
-    0SOL     H3    3   0.010026  -0.177173   0.029723
-    1SOL     O4    4  -0.064720   0.104886  -0.013055
-    1SOL     H5    5  -0.072692   0.200160  -0.017698
-    1SOL     H6    6  -0.141670   0.072069  -0.059574
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014953  -0.107990  -0.071558
-    0SOL     H2    2   0.052878  -0.164892  -0.035179
-    0SOL     H3    3   0.031348  -0.052623  -0.134432
-    1SOL     O4    4   0.002716   0.112043   0.075484
-    1SOL     H5    5  -0.000746   0.020804   0.046749
-    1SOL     H6    6   0.095278   0.135642   0.069346
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118746   0.022108   0.031886
-    0SOL     H2    2  -0.196941  -0.019880   0.067732
-    0SOL     H3    3  -0.128921   0.114673   0.054034
-    1SOL     O4    4   0.127609  -0.023200  -0.039215
-    1SOL     H5    5   0.042543   0.014295  -0.016407
-    1SOL     H6    6   0.135886  -0.100041   0.017258
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055751  -0.071807   0.086935
-    0SOL     H2    2  -0.127397  -0.082486   0.149506
-    0SOL     H3    3  -0.027600  -0.161142   0.067209
-    1SOL     O4    4   0.057890   0.079412  -0.096709
-    1SOL     H5    5   0.004491   0.021898  -0.041909
-    1SOL     H6    6   0.122295   0.116834  -0.036594
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003535  -0.120276  -0.058765
-    0SOL     H2    2  -0.062184  -0.152184  -0.127354
-    0SOL     H3    3   0.064048  -0.071445  -0.105780
-    1SOL     O4    4   0.005409   0.125101   0.062096
-    1SOL     H5    5  -0.021564   0.115271   0.153409
-    1SOL     H6    6  -0.006342   0.038037   0.024095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005124  -0.124420  -0.061889
-    0SOL     H2    2   0.065301  -0.144707  -0.123461
-    0SOL     H3    3  -0.004688  -0.028911  -0.055551
-    1SOL     O4    4   0.003260   0.116894   0.059638
-    1SOL     H5    5  -0.066915   0.181038   0.070737
-    1SOL     H6    6   0.034920   0.100351   0.148443
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000106   0.091713  -0.091047
-    0SOL     H2    2   0.072878   0.116333  -0.148147
-    0SOL     H3    3  -0.070306   0.152170  -0.114487
-    1SOL     O4    4  -0.002397  -0.096105   0.102027
-    1SOL     H5    5   0.034765  -0.032461   0.040947
-    1SOL     H6    6  -0.001452  -0.178878   0.053964
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103112   0.066710   0.061306
-    0SOL     H2    2  -0.035703   0.133998   0.051789
-    0SOL     H3    3  -0.089745   0.031635   0.149360
-    1SOL     O4    4   0.100523  -0.069265  -0.072161
-    1SOL     H5    5   0.016101  -0.031423  -0.047600
-    1SOL     H6    6   0.141100  -0.093473   0.011084
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125757   0.025573   0.031211
-    0SOL     H2    2   0.203440  -0.016417   0.068149
-    0SOL     H3    3   0.159711   0.081968  -0.038280
-    1SOL     O4    4  -0.138648  -0.024644  -0.025246
-    1SOL     H5    5  -0.046116  -0.018625  -0.001496
-    1SOL     H6    6  -0.138491  -0.063454  -0.112745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053841  -0.111040  -0.051886
-    0SOL     H2    2   0.050574  -0.178083   0.016356
-    0SOL     H3    3   0.024770  -0.156078  -0.131187
-    1SOL     O4    4  -0.048944   0.123123   0.053802
-    1SOL     H5    5  -0.135051   0.093340   0.083146
-    1SOL     H6    6  -0.014880   0.050419   0.001686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027218   0.015076  -0.137800
-    0SOL     H2    2   0.113988   0.045678  -0.164199
-    0SOL     H3    3   0.038548  -0.014072  -0.047332
-    1SOL     O4    4  -0.026440  -0.016405   0.131390
-    1SOL     H5    5  -0.084714  -0.080683   0.171821
-    1SOL     H6    6  -0.068094   0.068012   0.148745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025836  -0.086879  -0.104006
-    0SOL     H2    2  -0.038411  -0.033625  -0.182543
-    0SOL     H3    3   0.065962  -0.113748  -0.107673
-    1SOL     O4    4   0.025604   0.085647   0.114210
-    1SOL     H5    5   0.012216   0.015545   0.050423
-    1SOL     H6    6  -0.038246   0.152700   0.089934
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016806   0.126365  -0.073347
-    0SOL     H2    2  -0.021013   0.088470   0.006000
-    0SOL     H3    3   0.065724   0.054455  -0.113326
-    1SOL     O4    4  -0.018404  -0.117440   0.064966
-    1SOL     H5    5   0.045990  -0.184348   0.088182
-    1SOL     H6    6  -0.061652  -0.096045   0.147636
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.023098  -0.027864  -0.131170
-    0SOL     H2    2  -0.101575   0.018103  -0.161015
-    0SOL     H3    3   0.045785   0.000841  -0.191115
-    1SOL     O4    4   0.029571   0.022241   0.139302
-    1SOL     H5    5   0.006146  -0.006039   0.050906
-    1SOL     H6    6  -0.047787   0.068968   0.170840
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008319  -0.007158   0.135845
-    0SOL     H2    2   0.031026  -0.100051   0.140043
-    0SOL     H3    3   0.044062   0.029954   0.216514
-    1SOL     O4    4  -0.013804   0.016507  -0.142890
-    1SOL     H5    5   0.000392  -0.010169  -0.052065
-    1SOL     H6    6   0.007221  -0.061415  -0.194354
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037675  -0.022550  -0.139979
-    0SOL     H2    2  -0.004842  -0.005222  -0.051751
-    0SOL     H3    3  -0.132947  -0.020511  -0.130961
-    1SOL     O4    4   0.039008   0.022044   0.128706
-    1SOL     H5    5   0.066242  -0.058142   0.173325
-    1SOL     H6    6   0.058241   0.091980   0.191167
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102922  -0.103885   0.021100
-    0SOL     H2    2  -0.067087  -0.015142   0.022800
-    0SOL     H3    3  -0.159862  -0.105304  -0.055830
-    1SOL     O4    4   0.101358   0.098858  -0.022929
-    1SOL     H5    5   0.099919   0.170941   0.040034
-    1SOL     H6    6   0.150429   0.029483   0.021133
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.045941   0.081846   0.103074
-    0SOL     H2    2  -0.068234   0.174049   0.115875
-    0SOL     H3    3  -0.068190   0.040006   0.186241
-    1SOL     O4    4   0.046933  -0.089602  -0.112651
-    1SOL     H5    5   0.132075  -0.061117  -0.079461
-    1SOL     H6    6  -0.016131  -0.031824  -0.069674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009185  -0.021318   0.140907
-    0SOL     H2    2   0.104549  -0.026495   0.134476
-    0SOL     H3    3  -0.006831   0.025840   0.222649
-    1SOL     O4    4  -0.017590   0.024329  -0.146985
-    1SOL     H5    5   0.016368  -0.047957  -0.199747
-    1SOL     H6    6   0.015844   0.007508  -0.058885
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018721  -0.087234  -0.112257
-    0SOL     H2    2  -0.035516  -0.135920  -0.174308
-    0SOL     H3    3   0.043356  -0.007577  -0.159270
-    1SOL     O4    4  -0.015459   0.092721   0.120931
-    1SOL     H5    5  -0.018708   0.060255   0.030944
-    1SOL     H6    6  -0.034773   0.016013   0.174831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072140  -0.118414   0.034411
-    0SOL     H2    2  -0.031815  -0.176334  -0.030252
-    0SOL     H3    3  -0.150229  -0.165543   0.063452
-    1SOL     O4    4   0.078802   0.121025  -0.035600
-    1SOL     H5    5   0.046475   0.210964  -0.040912
-    1SOL     H6    6   0.020361   0.078172   0.026935
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035577  -0.036145  -0.139953
-    0SOL     H2    2  -0.120931  -0.042319  -0.182835
-    0SOL     H3    3  -0.055579  -0.037631  -0.046358
-    1SOL     O4    4   0.044726   0.034811   0.130807
-    1SOL     H5    5   0.031464  -0.015355   0.211242
-    1SOL     H6    6   0.003701   0.119505   0.148307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139817  -0.057398   0.018042
-    0SOL     H2    2  -0.184816   0.019956   0.052009
-    0SOL     H3    3  -0.057757  -0.023607  -0.017828
-    1SOL     O4    4   0.141812   0.050200  -0.023855
-    1SOL     H5    5   0.100400  -0.006521   0.041184
-    1SOL     H6    6   0.123184   0.139061   0.006459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028697   0.045460  -0.144495
-    0SOL     H2    2  -0.020518  -0.023265  -0.078372
-    0SOL     H3    3   0.025954   0.116897  -0.111747
-    1SOL     O4    4   0.022527  -0.040394   0.138472
-    1SOL     H5    5  -0.012356  -0.127287   0.158346
-    1SOL     H6    6   0.117497  -0.052314   0.137459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001166   0.127378   0.061995
-    0SOL     H2    2   0.020835   0.171403   0.144682
-    0SOL     H3    3  -0.025575   0.197883   0.003035
-    1SOL     O4    4   0.002365  -0.141344  -0.062691
-    1SOL     H5    5   0.028098  -0.057048  -0.025350
-    1SOL     H6    6  -0.074307  -0.121393  -0.116410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011486   0.003237   0.153442
-    0SOL     H2    2  -0.016504   0.006852   0.057923
-    0SOL     H3    3   0.060576  -0.057146   0.171421
-    1SOL     O4    4   0.005794  -0.000475  -0.142955
-    1SOL     H5    5   0.061067   0.066118  -0.183852
-    1SOL     H6    6  -0.019208  -0.058418  -0.214926
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-    6
-    0SOL     O1    1  -0.071410   0.122565   0.057910
-    0SOL     H2    2  -0.006187   0.181094   0.096415
-    0SOL     H3    3  -0.020118   0.051602   0.019235
-    1SOL     O4    4   0.061932  -0.116413  -0.060583
-    1SOL     H5    5   0.107117  -0.125108   0.023353
-    1SOL     H6    6   0.069316  -0.202920  -0.100887
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110199   0.093422  -0.010735
-    0SOL     H2    2  -0.173735   0.136802   0.046218
-    0SOL     H3    3  -0.115254   0.141516  -0.093341
-    1SOL     O4    4   0.119604  -0.099562   0.008757
-    1SOL     H5    5   0.076723  -0.014138   0.013877
-    1SOL     H6    6   0.062167  -0.158234   0.057961
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059728  -0.089917  -0.109990
-    0SOL     H2    2  -0.018880  -0.011068  -0.074261
-    0SOL     H3    3   0.008114  -0.129361  -0.164799
-    1SOL     O4    4   0.050103   0.083961   0.106643
-    1SOL     H5    5   0.103971   0.057630   0.181256
-    1SOL     H6    6   0.048116   0.179560   0.111027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111566  -0.093159   0.023642
-    0SOL     H2    2  -0.109008  -0.151156   0.099747
-    0SOL     H3    3  -0.155915  -0.144306  -0.044029
-    1SOL     O4    4   0.116738   0.102926  -0.028465
-    1SOL     H5    5   0.035279   0.053842  -0.039302
-    1SOL     H6    6   0.147520   0.079321   0.059042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030498  -0.005469  -0.155021
-    0SOL     H2    2  -0.077658   0.071430  -0.123009
-    0SOL     H3    3  -0.043008  -0.071420  -0.086784
-    1SOL     O4    4   0.027310   0.003616   0.147108
-    1SOL     H5    5   0.093244   0.072408   0.138015
-    1SOL     H6    6   0.059273  -0.050910   0.218994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032613   0.126905  -0.090052
-    0SOL     H2    2  -0.018189   0.047210  -0.074879
-    0SOL     H3    3   0.039983   0.167477  -0.003670
-    1SOL     O4    4  -0.030220  -0.120244   0.079102
-    1SOL     H5    5   0.013664  -0.205245   0.082469
-    1SOL     H6    6  -0.073738  -0.112323   0.163988
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008756   0.131673  -0.069047
-    0SOL     H2    2  -0.040503   0.115336  -0.149476
-    0SOL     H3    3   0.013040   0.227072  -0.062487
-    1SOL     O4    4  -0.001790  -0.139823   0.076518
-    1SOL     H5    5  -0.095896  -0.155041   0.067880
-    1SOL     H6    6   0.014511  -0.060610   0.025313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072780   0.135514  -0.048471
-    0SOL     H2    2  -0.087588   0.058646   0.006614
-    0SOL     H3    3   0.006322   0.114570  -0.098135
-    1SOL     O4    4   0.065326  -0.131618   0.053830
-    1SOL     H5    5   0.072735  -0.183999  -0.025943
-    1SOL     H6    6   0.117585  -0.053402   0.036121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.148026   0.059180   0.015220
-    0SOL     H2    2  -0.052927   0.065946   0.006695
-    0SOL     H3    3  -0.174675   0.002759  -0.057367
-    1SOL     O4    4   0.145083  -0.050450  -0.008478
-    1SOL     H5    5   0.194068  -0.090640  -0.080224
-    1SOL     H6    6   0.084796  -0.118840   0.020689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011949  -0.014670  -0.149662
-    0SOL     H2    2   0.008115  -0.090781  -0.207582
-    0SOL     H3    3   0.079782   0.041090  -0.187763
-    1SOL     O4    4  -0.014269   0.020971   0.159167
-    1SOL     H5    5  -0.008713   0.021579   0.063610
-    1SOL     H6    6  -0.035824  -0.069608   0.181377
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128233  -0.063750   0.082080
-    0SOL     H2    2   0.111699   0.029294   0.066858
-    0SOL     H3    3   0.067222  -0.108831   0.023705
-    1SOL     O4    4  -0.126151   0.059342  -0.084224
-    1SOL     H5    5  -0.085769  -0.003435  -0.024301
-    1SOL     H6    6  -0.125313   0.142205  -0.036315
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014513  -0.126599  -0.093770
-    0SOL     H2    2   0.003878  -0.203345  -0.149978
-    0SOL     H3    3   0.017539  -0.162140  -0.004945
-    1SOL     O4    4  -0.010982   0.135298   0.086004
-    1SOL     H5    5  -0.083751   0.073600   0.093769
-    1SOL     H6    6   0.009416   0.159830   0.176250
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014968   0.042817  -0.167675
-    0SOL     H2    2  -0.012698  -0.045264  -0.192947
-    0SOL     H3    3   0.016786   0.040872  -0.071992
-    1SOL     O4    4  -0.016239  -0.032958   0.159902
-    1SOL     H5    5  -0.038419  -0.125446   0.170687
-    1SOL     H6    6   0.059008  -0.019449   0.217502
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064945   0.126717  -0.102869
-    0SOL     H2    2  -0.022894   0.145839  -0.019033
-    0SOL     H3    3  -0.003485   0.068759  -0.147878
-    1SOL     O4    4   0.055241  -0.124872   0.106241
-    1SOL     H5    5   0.087225  -0.202406   0.060112
-    1SOL     H6    6   0.095978  -0.051269   0.060573
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099269  -0.070607   0.125178
-    0SOL     H2    2  -0.053335  -0.024815   0.195572
-    0SOL     H3    3  -0.149673  -0.002278   0.080986
-    1SOL     O4    4   0.105179   0.060957  -0.129326
-    1SOL     H5    5   0.084500   0.154098  -0.121617
-    1SOL     H6    6   0.030008   0.016374  -0.090287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135154  -0.105779  -0.009364
-    0SOL     H2    2  -0.196793  -0.062228  -0.068239
-    0SOL     H3    3  -0.091999  -0.171406  -0.064073
-    1SOL     O4    4   0.134820   0.113081   0.013217
-    1SOL     H5    5   0.219351   0.084317   0.047705
-    1SOL     H6    6   0.075555   0.040037   0.030950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030375   0.038992  -0.174457
-    0SOL     H2    2  -0.054056   0.001268  -0.149746
-    0SOL     H3    3   0.095012  -0.024326  -0.143228
-    1SOL     O4    4  -0.029917  -0.038761   0.172780
-    1SOL     H5    5   0.021478   0.029297   0.216242
-    1SOL     H6    6  -0.068063   0.004922   0.096630
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044917   0.167795   0.061815
-    0SOL     H2    2  -0.036354   0.152430   0.013635
-    0SOL     H3    3   0.094439   0.086484   0.051890
-    1SOL     O4    4  -0.036503  -0.158373  -0.056713
-    1SOL     H5    5  -0.086528  -0.215715   0.001354
-    1SOL     H6    6  -0.088721  -0.153868  -0.136810
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007035  -0.003374  -0.177465
-    0SOL     H2    2   0.054331  -0.058089  -0.226486
-    0SOL     H3    3  -0.092875  -0.041898  -0.195063
-    1SOL     O4    4   0.014362   0.011020   0.185381
-    1SOL     H5    5   0.006046  -0.071132   0.136964
-    1SOL     H6    6  -0.067394   0.057605   0.167826
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024942  -0.140728  -0.119307
-    0SOL     H2    2   0.041605  -0.110586  -0.181156
-    0SOL     H3    3   0.002869  -0.105158  -0.034906
-    1SOL     O4    4   0.020382   0.144466   0.116437
-    1SOL     H5    5   0.089938   0.079422   0.106767
-    1SOL     H6    6  -0.054493   0.094807   0.149451
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161913   0.066285   0.051302
-    0SOL     H2    2  -0.098538   0.134605   0.073173
-    0SOL     H3    3  -0.203563   0.097067  -0.029197
-    1SOL     O4    4   0.165858  -0.073884  -0.045081
-    1SOL     H5    5   0.086716  -0.039094  -0.003988
-    1SOL     H6    6   0.147448  -0.070898  -0.138967
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.176947   0.007375   0.021692
-    0SOL     H2    2   0.153978   0.055446   0.101215
-    0SOL     H3    3   0.269176  -0.015482   0.033261
-    1SOL     O4    4  -0.179348  -0.016131  -0.025975
-    1SOL     H5    5  -0.253409   0.037047   0.003169
-    1SOL     H6    6  -0.121375   0.045749  -0.070387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.141545   0.050041  -0.107868
-    0SOL     H2    2  -0.236665   0.044984  -0.098431
-    0SOL     H3    3  -0.107333   0.006731  -0.029663
-    1SOL     O4    4   0.140453  -0.052607   0.104087
-    1SOL     H5    5   0.174583  -0.014406   0.023228
-    1SOL     H6    6   0.183299  -0.003150   0.173948
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.142493  -0.115849  -0.022730
-    0SOL     H2    2  -0.106587  -0.085633  -0.106157
-    0SOL     H3    3  -0.169584  -0.206103  -0.039543
-    1SOL     O4    4   0.141540   0.118580   0.021203
-    1SOL     H5    5   0.152712   0.046642   0.083350
-    1SOL     H6    6   0.135627   0.196882   0.075940
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031989  -0.046130   0.180221
-    0SOL     H2    2   0.118890  -0.068889   0.213275
-    0SOL     H3    3   0.024543   0.048118   0.195195
-    1SOL     O4    4  -0.031294   0.037329  -0.181442
-    1SOL     H5    5  -0.030232   0.131102  -0.162261
-    1SOL     H6    6  -0.115676   0.022521  -0.224137
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095976  -0.106661   0.128261
-    0SOL     H2    2   0.076534  -0.024431   0.173234
-    0SOL     H3    3   0.025746  -0.165893   0.155124
-    1SOL     O4    4  -0.093507   0.105094  -0.126714
-    1SOL     H5    5  -0.013669   0.062809  -0.158340
-    1SOL     H6    6  -0.128671   0.150362  -0.203373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.178754   0.029276  -0.073750
-    0SOL     H2    2  -0.165980  -0.021067  -0.154153
-    0SOL     H3    3  -0.118972   0.103554  -0.082189
-    1SOL     O4    4   0.167846  -0.030765   0.076123
-    1SOL     H5    5   0.196557  -0.000872   0.162404
-    1SOL     H6    6   0.248195  -0.059376   0.032674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122317  -0.161528   0.004071
-    0SOL     H2    2   0.162844  -0.112585  -0.067515
-    0SOL     H3    3   0.043691  -0.111477   0.025868
-    1SOL     O4    4  -0.114998   0.150535  -0.001098
-    1SOL     H5    5  -0.116039   0.232394   0.048504
-    1SOL     H6    6  -0.197575   0.150756  -0.049507
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119821  -0.147378   0.055959
-    0SOL     H2    2   0.127089  -0.204938   0.132094
-    0SOL     H3    3   0.029850  -0.114845   0.058971
-    1SOL     O4    4  -0.116440   0.144152  -0.056896
-    1SOL     H5    5  -0.157607   0.168281  -0.139874
-    1SOL     H6    6  -0.050099   0.211636  -0.042502
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040088  -0.131680   0.140263
-    0SOL     H2    2   0.037099  -0.223719   0.166383
-    0SOL     H3    3   0.096560  -0.130487   0.062985
-    1SOL     O4    4  -0.037581   0.138612  -0.139206
-    1SOL     H5    5  -0.121032   0.145114  -0.185639
-    1SOL     H6    6  -0.058627   0.091677  -0.058481
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.150412   0.110330  -0.067645
-    0SOL     H2    2   0.163671   0.018986  -0.042293
-    0SOL     H3    3   0.227013   0.131827  -0.120866
-    1SOL     O4    4  -0.157700  -0.111876   0.073073
-    1SOL     H5    5  -0.105161  -0.117071  -0.006771
-    1SOL     H6    6  -0.170627  -0.018096   0.087235
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.170350   0.106191  -0.009517
-    0SOL     H2    2  -0.255672   0.074941   0.020581
-    0SOL     H3    3  -0.166539   0.080550  -0.101660
-    1SOL     O4    4   0.176389  -0.101159   0.007783
-    1SOL     H5    5   0.108090  -0.061414   0.061801
-    1SOL     H6    6   0.209444  -0.173863   0.060544
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047303  -0.193737  -0.058437
-    0SOL     H2    2  -0.047615  -0.142844  -0.139506
-    0SOL     H3    3  -0.116069  -0.154086  -0.004945
-    1SOL     O4    4   0.047031   0.192039   0.056175
-    1SOL     H5    5   0.024014   0.144843   0.136206
-    1SOL     H6    6   0.141067   0.177411   0.045890
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136337  -0.114859   0.108738
-    0SOL     H2    2  -0.151583  -0.072583   0.024224
-    0SOL     H3    3  -0.131879  -0.042541   0.171289
-    1SOL     O4    4   0.141349   0.112159  -0.111158
-    1SOL     H5    5   0.115665   0.119574  -0.019246
-    1SOL     H6    6   0.091884   0.037042  -0.143913
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025632   0.043443  -0.203609
-    0SOL     H2    2  -0.069588   0.115097  -0.249390
-    0SOL     H3    3  -0.075777   0.032219  -0.122852
-    1SOL     O4    4   0.025802  -0.047157   0.198664
-    1SOL     H5    5   0.054177  -0.082032   0.283168
-    1SOL     H6    6   0.105515  -0.011564   0.159404
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.202940  -0.043141  -0.066040
-    0SOL     H2    2   0.130445  -0.105644  -0.066505
-    0SOL     H3    3   0.281434  -0.097374  -0.073778
-    1SOL     O4    4  -0.197419   0.053332   0.067854
-    1SOL     H5    5  -0.217356  -0.039461   0.080268
-    1SOL     H6    6  -0.278252   0.090770   0.032829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.167286   0.139922   0.039368
-    0SOL     H2    2  -0.204259   0.226713   0.023164
-    0SOL     H3    3  -0.108654   0.152365   0.114000
-    1SOL     O4    4   0.161432  -0.148860  -0.043971
-    1SOL     H5    5   0.161724  -0.054121  -0.030305
-    1SOL     H6    6   0.252696  -0.175118  -0.031982
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024124  -0.188065   0.131302
-    0SOL     H2    2  -0.040807  -0.102765   0.091203
-    0SOL     H3    3  -0.017296  -0.169622   0.224980
-    1SOL     O4    4   0.025729   0.176671  -0.129809
-    1SOL     H5    5  -0.009997   0.264110  -0.114304
-    1SOL     H6    6   0.045102   0.174935  -0.223532
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055970  -0.199246   0.121588
-    0SOL     H2    2   0.022111  -0.235760   0.079967
-    0SOL     H3    3  -0.071706  -0.255996   0.197048
-    1SOL     O4    4   0.055971   0.200106  -0.119549
-    1SOL     H5    5   0.031471   0.290405  -0.099346
-    1SOL     H6    6   0.021359   0.184952  -0.207496
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052742  -0.208417   0.119755
-    0SOL     H2    2  -0.051409  -0.288910   0.171538
-    0SOL     H3    3  -0.136338  -0.211206   0.073211
-    1SOL     O4    4   0.053707   0.217227  -0.121434
-    1SOL     H5    5   0.065189   0.133951  -0.167213
-    1SOL     H6    6   0.114977   0.212902  -0.048020
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.182329  -0.107682   0.168591
-    0SOL     H2    2   0.102220  -0.150099   0.137839
-    0SOL     H3    3   0.158513  -0.015464   0.178130
-    1SOL     O4    4  -0.181624   0.102985  -0.171514
-    1SOL     H5    5  -0.177217   0.165747  -0.099376
-    1SOL     H6    6  -0.094071   0.064473  -0.175199
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015368  -0.281069   0.085897
-    0SOL     H2    2  -0.037855  -0.212976   0.127043
-    0SOL     H3    3   0.095257  -0.235913   0.058677
-    1SOL     O4    4  -0.022699   0.276001  -0.084496
-    1SOL     H5    5   0.012649   0.327427  -0.157078
-    1SOL     H6    6   0.051583   0.224325  -0.053285
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.160178  -0.056955   0.255937
-    0SOL     H2    2  -0.099847  -0.063773   0.181937
-    0SOL     H3    3  -0.112337  -0.005928   0.321281
-    1SOL     O4    4   0.155747   0.051875  -0.250062
-    1SOL     H5    5   0.135036   0.007134  -0.332109
-    1SOL     H6    6   0.144600   0.144841  -0.269946
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022972   0.268536  -0.249798
-    0SOL     H2    2   0.021775   0.349415  -0.198616
-    0SOL     H3    3  -0.065773   0.261016  -0.284871
-    1SOL     O4    4  -0.014763  -0.277621   0.249296
-    1SOL     H5    5  -0.025809  -0.208040   0.314094
-    1SOL     H6    6  -0.067533  -0.249429   0.174577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127036  -0.341726  -0.105917
-    0SOL     H2    2   0.201404  -0.281582  -0.102110
-    0SOL     H3    3   0.079658  -0.316323  -0.185115
-    1SOL     O4    4  -0.126436   0.339604   0.104392
-    1SOL     H5    5  -0.181080   0.265438   0.130387
-    1SOL     H6    6  -0.101344   0.381028   0.186956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071991  -0.255710  -0.264687
-    0SOL     H2    2  -0.144432  -0.288255  -0.211251
-    0SOL     H3    3  -0.026501  -0.334635  -0.294077
-    1SOL     O4    4   0.071024   0.268101   0.261273
-    1SOL     H5    5   0.036074   0.179828   0.249080
-    1SOL     H6    6   0.154841   0.254821   0.305554
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.125886   0.391853  -0.040064
-    0SOL     H2    2  -0.147409   0.485105  -0.041846
-    0SOL     H3    3  -0.204373   0.349774  -0.004970
-    1SOL     O4    4   0.136936  -0.392723   0.039973
-    1SOL     H5    5   0.082596  -0.360544  -0.031957
-    1SOL     H6    6   0.082720  -0.458572   0.083410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.206773   0.356554   0.076878
-    0SOL     H2    2  -0.270280   0.426777   0.090949
-    0SOL     H3    3  -0.174861   0.335136   0.164544
-    1SOL     O4    4   0.202010  -0.358454  -0.082108
-    1SOL     H5    5   0.254833  -0.428291  -0.043445
-    1SOL     H6    6   0.263156  -0.310029  -0.137592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.354708   0.279405   0.127004
-    0SOL     H2    2  -0.311247   0.194734   0.116795
-    0SOL     H3    3  -0.363002   0.290864   0.221673
-    1SOL     O4    4   0.346104  -0.273570  -0.131041
-    1SOL     H5    5   0.423479  -0.217885  -0.139687
-    1SOL     H6    6   0.380275  -0.362900  -0.134887
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000496   0.474369   0.092622
-    0SOL     H2    2  -0.047468   0.396436   0.062917
-    0SOL     H3    3   0.091940   0.449998   0.087726
-    1SOL     O4    4  -0.004410  -0.475103  -0.090875
-    1SOL     H5    5   0.029004  -0.420872  -0.162322
-    1SOL     H6    6  -0.001691  -0.417995  -0.014105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113369  -0.113887  -0.456145
-    0SOL     H2    2   0.099174  -0.194550  -0.505686
-    0SOL     H3    3   0.136868  -0.143545  -0.368221
-    1SOL     O4    4  -0.117035   0.122265   0.448557
-    1SOL     H5    5  -0.149213   0.119097   0.538650
-    1SOL     H6    6  -0.029151   0.084610   0.453124
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.460661  -0.145988   0.212923
-    0SOL     H2    2  -0.439792  -0.173706   0.302134
-    0SOL     H3    3  -0.554064  -0.164554   0.203254
-    1SOL     O4    4   0.464130   0.141773  -0.216325
-    1SOL     H5    5   0.462050   0.211645  -0.150935
-    1SOL     H6    6   0.477870   0.187132  -0.299487
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077673   0.528111  -0.030747
-    0SOL     H2    2  -0.067195   0.468098   0.043084
-    0SOL     H3    3  -0.154415   0.580701  -0.008223
-    1SOL     O4    4   0.088605  -0.527553   0.025448
-    1SOL     H5    5   0.030103  -0.517949  -0.049702
-    1SOL     H6    6   0.029959  -0.539725   0.100113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.481632   0.238325  -0.020613
-    0SOL     H2    2  -0.498081   0.300692  -0.091338
-    0SOL     H3    3  -0.526844   0.275470   0.055139
-    1SOL     O4    4   0.477833  -0.244888   0.020077
-    1SOL     H5    5   0.533905  -0.196874   0.081010
-    1SOL     H6    6   0.538547  -0.283587  -0.042999
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.286059  -0.458781   0.081007
-    0SOL     H2    2  -0.353334  -0.392021   0.067613
-    0SOL     H3    3  -0.319386  -0.535958   0.035231
-    1SOL     O4    4   0.292519   0.465703  -0.076231
-    1SOL     H5    5   0.233919   0.436244  -0.145949
-    1SOL     H6    6   0.325386   0.384924  -0.036775
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.547552   0.095059   0.006694
-    0SOL     H2    2   0.545027   0.180113  -0.037144
-    0SOL     H3    3   0.619828   0.102324   0.069029
-    1SOL     O4    4  -0.553240  -0.099847  -0.013522
-    1SOL     H5    5  -0.552691  -0.177198   0.042860
-    1SOL     H6    6  -0.516063  -0.030320   0.040757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.414421  -0.436487   0.060958
-    0SOL     H2    2  -0.502626  -0.462822   0.087197
-    0SOL     H3    3  -0.389232  -0.500213  -0.005877
-    1SOL     O4    4   0.423240   0.443950  -0.056078
-    1SOL     H5    5   0.402578   0.350969  -0.065558
-    1SOL     H6    6   0.349514   0.489215  -0.097042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.577498   0.339520  -0.196727
-    0SOL     H2    2   0.613880   0.400154  -0.261242
-    0SOL     H3    3   0.483452   0.357331  -0.197418
-    1SOL     O4    4  -0.579105  -0.340928   0.204345
-    1SOL     H5    5  -0.536445  -0.307416   0.125482
-    1SOL     H6    6  -0.537641  -0.425798   0.219838
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.207305  -0.680049  -0.106349
-    0SOL     H2    2  -0.128930  -0.633421  -0.135427
-    0SOL     H3    3  -0.237899  -0.726478  -0.184263
-    1SOL     O4    4   0.203083   0.673590   0.114974
-    1SOL     H5    5   0.274403   0.708136   0.061286
-    1SOL     H6    6   0.150057   0.750273   0.136662
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.556785  -0.343581  -0.348559
-    0SOL     H2    2  -0.594117  -0.333593  -0.436131
-    0SOL     H3    3  -0.555963  -0.254892  -0.312562
-    1SOL     O4    4   0.564254   0.339087   0.355944
-    1SOL     H5    5   0.517096   0.257617   0.338592
-    1SOL     H6    6   0.522371   0.403650   0.299026
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.699936   0.158904  -0.497472
-    0SOL     H2    2   0.755940   0.221526  -0.451600
-    0SOL     H3    3   0.655644   0.210936  -0.564504
-    1SOL     O4    4  -0.702163  -0.164987   0.503968
-    1SOL     H5    5  -0.613710  -0.157921   0.468072
-    1SOL     H6    6  -0.758886  -0.170658   0.427074
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.417566  -0.276734  -0.727118
-    0SOL     H2    2  -0.467337  -0.201693  -0.759582
-    0SOL     H3    3  -0.351765  -0.292949  -0.794717
-    1SOL     O4    4   0.419019   0.268705   0.736664
-    1SOL     H5    5   0.383358   0.355297   0.756476
-    1SOL     H6    6   0.418984   0.264037   0.641058
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.816866   0.348152   0.085103
-    0SOL     H2    2  -0.838594   0.272583   0.139688
-    0SOL     H3    3  -0.829885   0.317478  -0.004630
-    1SOL     O4    4   0.822027  -0.348165  -0.079975
-    1SOL     H5    5   0.856651  -0.259184  -0.086746
-    1SOL     H6    6   0.734318  -0.342739  -0.117921
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/470K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.931296   0.046586   0.270800
-    0SOL     H2    2  -0.982895  -0.033279   0.259777
-    0SOL     H3    3  -0.907877   0.047409   0.363607
-    1SOL     O4    4   0.935771  -0.047237  -0.272867
-    1SOL     H5    5   0.919615  -0.026519  -0.364911
-    1SOL     H6    6   0.901388   0.028130  -0.224911
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026721  -0.024991   0.120929
-    0SOL     H2    2  -0.002505  -0.115036   0.135071
-    0SOL     H3    3   0.117965  -0.024552   0.149852
-    1SOL     O4    4  -0.026861   0.032273  -0.129933
-    1SOL     H5    5   0.002602  -0.022554  -0.057213
-    1SOL     H6    6  -0.112187   0.065426  -0.101956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046625  -0.099782  -0.080131
-    0SOL     H2    2  -0.134685  -0.122293  -0.050116
-    0SOL     H3    3  -0.023426  -0.021621  -0.029981
-    1SOL     O4    4   0.053854   0.091000   0.072918
-    1SOL     H5    5   0.049523   0.179681   0.037151
-    1SOL     H6    6  -0.002906   0.093395   0.149956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019353  -0.098898   0.076186
-    0SOL     H2    2   0.003252  -0.191292   0.065478
-    0SOL     H3    3  -0.041151  -0.090123   0.168977
-    1SOL     O4    4   0.016230   0.105680  -0.087931
-    1SOL     H5    5  -0.001755   0.027162  -0.036223
-    1SOL     H6    6   0.078229   0.155691  -0.034851
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120246  -0.041562   0.014130
-    0SOL     H2    2  -0.163973   0.000298  -0.060018
-    0SOL     H3    3  -0.191439  -0.066259   0.073153
-    1SOL     O4    4   0.128683   0.045660  -0.018324
-    1SOL     H5    5   0.186257   0.008986   0.048777
-    1SOL     H6    6   0.044740   0.001783  -0.004514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029396   0.025535   0.122987
-    0SOL     H2    2   0.018156   0.009041   0.204406
-    0SOL     H3    3  -0.078138   0.106226   0.139587
-    1SOL     O4    4   0.035411  -0.031179  -0.131459
-    1SOL     H5    5   0.022157  -0.015000  -0.038052
-    1SOL     H6    6  -0.048846  -0.010051  -0.171667
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018472   0.005009  -0.137406
-    0SOL     H2    2  -0.009706  -0.026102  -0.051380
-    0SOL     H3    3  -0.042337   0.075890  -0.158393
-    1SOL     O4    4  -0.015487  -0.010001   0.127634
-    1SOL     H5    5  -0.063583   0.055590   0.178101
-    1SOL     H6    6   0.061254  -0.029995   0.181238
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102436  -0.077384  -0.057616
-    0SOL     H2    2   0.042590  -0.142429  -0.094357
-    0SOL     H3    3   0.047896  -0.025070   0.001129
-    1SOL     O4    4  -0.094013   0.071562   0.056783
-    1SOL     H5    5  -0.118242   0.117126  -0.023835
-    1SOL     H6    6  -0.110251   0.135397   0.126236
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-    6
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-    0SOL     H2    2   0.125785   0.057686  -0.119310
-    0SOL     H3    3  -0.005043   0.120796  -0.076647
-    1SOL     O4    4  -0.028563  -0.055200   0.123536
-    1SOL     H5    5  -0.091825  -0.015307   0.183275
-    1SOL     H6    6  -0.056293  -0.026481   0.036538
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.104555  -0.092325   0.011971
-    0SOL     H2    2  -0.185433  -0.043555   0.027543
-    0SOL     H3    3  -0.035549  -0.026075   0.015369
-    1SOL     O4    4   0.099671   0.087522  -0.008832
-    1SOL     H5    5   0.173037   0.028894   0.009676
-    1SOL     H6    6   0.113374   0.115257  -0.099415
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.006671  -0.042841   0.123232
-    0SOL     H2    2   0.070195  -0.033587   0.179519
-    0SOL     H3    3  -0.080020  -0.014828   0.177982
-    1SOL     O4    4   0.012253   0.039584  -0.133910
-    1SOL     H5    5   0.001018   0.029406  -0.039398
-    1SOL     H6    6  -0.074174   0.065732  -0.165674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086436   0.109343   0.013687
-    0SOL     H2    2  -0.010252   0.053149  -0.000474
-    0SOL     H3    3  -0.054899   0.178240   0.072176
-    1SOL     O4    4   0.076656  -0.104862  -0.015884
-    1SOL     H5    5   0.128409  -0.139800   0.056664
-    1SOL     H6    6   0.095131  -0.163720  -0.089073
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008300   0.087875   0.097868
-    0SOL     H2    2   0.018401   0.023754   0.168216
-    0SOL     H3    3  -0.002979   0.171500   0.143056
-    1SOL     O4    4  -0.004254  -0.089709  -0.109857
-    1SOL     H5    5  -0.078827  -0.145503  -0.087759
-    1SOL     H6    6   0.001399  -0.027401  -0.037414
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078275   0.057578  -0.105599
-    0SOL     H2    2   0.023637   0.051501  -0.027240
-    0SOL     H3    3   0.110045  -0.031611  -0.119680
-    1SOL     O4    4  -0.072744  -0.055024   0.097705
-    1SOL     H5    5  -0.165527  -0.036143   0.083664
-    1SOL     H6    6  -0.053399  -0.017679   0.183690
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030073   0.080326   0.100854
-    0SOL     H2    2   0.088621   0.100829   0.173752
-    0SOL     H3    3  -0.055136   0.114271   0.128232
-    1SOL     O4    4  -0.034567  -0.086205  -0.106965
-    1SOL     H5    5  -0.003275  -0.047021  -0.025431
-    1SOL     H6    6   0.036345  -0.071313  -0.169512
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.034724  -0.100064  -0.077606
-    0SOL     H2    2  -0.089151  -0.090289  -0.155738
-    0SOL     H3    3  -0.006159  -0.191402  -0.079530
-    1SOL     O4    4   0.038023   0.104012   0.088220
-    1SOL     H5    5   0.046438   0.182116   0.033527
-    1SOL     H6    6  -0.005819   0.040038   0.032118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100713  -0.076392  -0.044817
-    0SOL     H2    2  -0.084169  -0.141558  -0.112949
-    0SOL     H3    3  -0.157516  -0.121136   0.017902
-    1SOL     O4    4   0.101861   0.089521   0.043918
-    1SOL     H5    5   0.185587   0.047472   0.063518
-    1SOL     H6    6   0.038103   0.018155   0.045964
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035020   0.070463   0.121847
-    0SOL     H2    2  -0.016182   0.046013   0.031240
-    0SOL     H3    3   0.037375   0.033333   0.172271
-    1SOL     O4    4   0.027103  -0.062446  -0.115915
-    1SOL     H5    5   0.052983  -0.060716  -0.208054
-    1SOL     H6    6   0.054745  -0.148657  -0.084837
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009964   0.132127  -0.013180
-    0SOL     H2    2  -0.059486   0.211421   0.007373
-    0SOL     H3    3   0.066146   0.163372  -0.062103
-    1SOL     O4    4   0.012388  -0.142862   0.019463
-    1SOL     H5    5  -0.047966  -0.171897  -0.048923
-    1SOL     H6    6   0.007477  -0.047304   0.016816
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029241  -0.097801   0.098757
-    0SOL     H2    2   0.035692  -0.147519   0.148497
-    0SOL     H3    3   0.022080  -0.048989   0.034369
-    1SOL     O4    4   0.025675   0.095617  -0.093537
-    1SOL     H5    5  -0.001959   0.052251  -0.174271
-    1SOL     H6    6  -0.014603   0.182342  -0.097881
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106339   0.040301   0.080948
-    0SOL     H2    2  -0.134043   0.057984   0.170849
-    0SOL     H3    3  -0.010865   0.035444   0.085773
-    1SOL     O4    4   0.106805  -0.039425  -0.081471
-    1SOL     H5    5   0.092255  -0.125954  -0.119725
-    1SOL     H6    6   0.044592   0.017569  -0.126677
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012389   0.055870   0.134456
-    0SOL     H2    2  -0.034888   0.036376   0.043483
-    0SOL     H3    3   0.015766  -0.028112   0.170740
-    1SOL     O4    4   0.010303  -0.043171  -0.127381
-    1SOL     H5    5  -0.024096  -0.131063  -0.111442
-    1SOL     H6    6   0.072336  -0.054376  -0.199414
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085332  -0.072019   0.084831
-    0SOL     H2    2  -0.094445  -0.051807  -0.008286
-    0SOL     H3    3  -0.172364  -0.056279   0.121436
-    1SOL     O4    4   0.085743   0.070745  -0.086391
-    1SOL     H5    5   0.168711   0.024370  -0.097706
-    1SOL     H6    6   0.088850   0.103946   0.003332
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085737  -0.111070  -0.002505
-    0SOL     H2    2   0.147607  -0.101733  -0.074943
-    0SOL     H3    3   0.017710  -0.169260  -0.036396
-    1SOL     O4    4  -0.086418   0.119412   0.004743
-    1SOL     H5    5  -0.002397   0.082978   0.032587
-    1SOL     H6    6  -0.151591   0.057982   0.038524
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111680   0.051955   0.061003
-    0SOL     H2    2  -0.179296   0.110547   0.026985
-    0SOL     H3    3  -0.086652   0.090405   0.145012
-    1SOL     O4    4   0.117888  -0.057535  -0.070798
-    1SOL     H5    5   0.122598  -0.127142  -0.005261
-    1SOL     H6    6   0.059704   0.007914  -0.032153
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020858  -0.052077   0.126354
-    0SOL     H2    2  -0.014702   0.013692   0.195628
-    0SOL     H3    3  -0.076052  -0.120919   0.163458
-    1SOL     O4    4   0.029566   0.054729  -0.133002
-    1SOL     H5    5  -0.041329   0.057049  -0.197274
-    1SOL     H6    6  -0.008346   0.010518  -0.057039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073858   0.065478   0.096194
-    0SOL     H2    2   0.105439   0.028424   0.178608
-    0SOL     H3    3   0.125990   0.144827   0.084020
-    1SOL     O4    4  -0.084346  -0.069703  -0.099315
-    1SOL     H5    5  -0.027016  -0.082969  -0.174811
-    1SOL     H6    6  -0.029582  -0.024282  -0.035282
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020660  -0.127080   0.057031
-    0SOL     H2    2   0.010919  -0.212470   0.086587
-    0SOL     H3    3  -0.067024  -0.145592  -0.024639
-    1SOL     O4    4   0.018159   0.133817  -0.059188
-    1SOL     H5    5   0.058133   0.202387  -0.005686
-    1SOL     H6    6   0.041157   0.052224  -0.014735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036156   0.129000  -0.035618
-    0SOL     H2    2   0.020639   0.205348  -0.045996
-    0SOL     H3    3  -0.124918   0.163763  -0.044283
-    1SOL     O4    4   0.034948  -0.141995   0.036270
-    1SOL     H5    5   0.013986  -0.061444  -0.011000
-    1SOL     H6    6   0.109139  -0.118501   0.092002
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047442   0.138073  -0.044539
-    0SOL     H2    2   0.044723   0.119238  -0.062233
-    0SOL     H3    3  -0.083878   0.054460  -0.015494
-    1SOL     O4    4   0.047513  -0.131069   0.038149
-    1SOL     H5    5  -0.017351  -0.199149   0.056039
-    1SOL     H6    6   0.054131  -0.082091   0.120124
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020188  -0.146665  -0.001674
-    0SOL     H2    2  -0.022528  -0.062948   0.016467
-    0SOL     H3    3  -0.050537  -0.211045   0.002264
-    1SOL     O4    4  -0.009123   0.140165   0.003143
-    1SOL     H5    5  -0.014671   0.173428  -0.086440
-    1SOL     H6    6  -0.074393   0.190707   0.051595
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.134349   0.062875   0.005067
-    0SOL     H2    2   0.162515   0.124248  -0.062774
-    0SOL     H3    3   0.038864   0.061934  -0.001567
-    1SOL     O4    4  -0.126545  -0.060159  -0.002018
-    1SOL     H5    5  -0.218953  -0.076040  -0.021278
-    1SOL     H6    6  -0.095654  -0.142108   0.036613
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122987  -0.050351   0.046883
-    0SOL     H2    2   0.164130  -0.109540   0.109860
-    0SOL     H3    3   0.162240  -0.073746  -0.037226
-    1SOL     O4    4  -0.133000   0.057285  -0.043282
-    1SOL     H5    5  -0.061568   0.007014  -0.004131
-    1SOL     H6    6  -0.105716   0.071112  -0.133983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.075129   0.093943  -0.078455
-    0SOL     H2    2   0.159589   0.087062  -0.033942
-    0SOL     H3    3   0.048310   0.184856  -0.065122
-    1SOL     O4    4  -0.084908  -0.097734   0.078612
-    1SOL     H5    5  -0.034656  -0.178423   0.067375
-    1SOL     H6    6  -0.033814  -0.031053   0.032726
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126055   0.032611   0.064249
-    0SOL     H2    2   0.153518   0.109945   0.113520
-    0SOL     H3    3   0.075345  -0.019008   0.126910
-    1SOL     O4    4  -0.129681  -0.030384  -0.071563
-    1SOL     H5    5  -0.049593  -0.008368  -0.023986
-    1SOL     H6    6  -0.113237  -0.117725  -0.107109
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.081954  -0.129477  -0.010791
-    0SOL     H2    2  -0.009076  -0.074223  -0.039043
-    0SOL     H3    3  -0.138494  -0.070797   0.039431
-    1SOL     O4    4   0.075717   0.124708   0.012916
-    1SOL     H5    5   0.164202   0.115156   0.048150
-    1SOL     H6    6   0.085262   0.107849  -0.080823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047757   0.053435  -0.122627
-    0SOL     H2    2  -0.071455   0.140869  -0.153546
-    0SOL     H3    3  -0.104607  -0.005694  -0.171965
-    1SOL     O4    4   0.057064  -0.059407   0.128633
-    1SOL     H5    5   0.047628  -0.007235   0.048938
-    1SOL     H6    6  -0.017159  -0.033469   0.183226
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136664  -0.025461  -0.048371
-    0SOL     H2    2  -0.205679   0.028812  -0.086499
-    0SOL     H3    3  -0.071837  -0.034424  -0.118223
-    1SOL     O4    4   0.142444   0.022600   0.058539
-    1SOL     H5    5   0.119109   0.090085  -0.005208
-    1SOL     H6    6   0.069630  -0.039460   0.055529
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040529  -0.122313  -0.084621
-    0SOL     H2    2   0.031449  -0.089198   0.004729
-    0SOL     H3    3  -0.049439  -0.133988  -0.115146
-    1SOL     O4    4  -0.040979   0.117419   0.080388
-    1SOL     H5    5   0.023460   0.121196   0.151068
-    1SOL     H6    6  -0.003289   0.171080   0.010658
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063840   0.079112   0.106363
-    0SOL     H2    2  -0.081424   0.126887   0.187422
-    0SOL     H3    3  -0.140679   0.023337   0.094227
-    1SOL     O4    4   0.069957  -0.084029  -0.107240
-    1SOL     H5    5   0.041075   0.000864  -0.073753
-    1SOL     H6    6   0.080628  -0.070327  -0.201371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025403  -0.138362   0.049007
-    0SOL     H2    2   0.053331  -0.141554   0.103348
-    0SOL     H3    3  -0.095820  -0.167224   0.107065
-    1SOL     O4    4   0.031615   0.141648  -0.054351
-    1SOL     H5    5  -0.035975   0.194241  -0.097104
-    1SOL     H6    6  -0.013502   0.061471  -0.027923
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073079  -0.104582  -0.076720
-    0SOL     H2    2  -0.122342  -0.139909  -0.002642
-    0SOL     H3    3  -0.138380  -0.093347  -0.145799
-    1SOL     O4    4   0.085003   0.107350   0.081040
-    1SOL     H5    5   0.074634   0.028718   0.027451
-    1SOL     H6    6   0.007407   0.159962   0.061722
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135624   0.057147  -0.014911
-    0SOL     H2    2  -0.211337   0.036959   0.040064
-    0SOL     H3    3  -0.153947   0.144332  -0.049916
-    1SOL     O4    4   0.146716  -0.064171   0.016938
-    1SOL     H5    5   0.097781   0.013319   0.044560
-    1SOL     H6    6   0.104305  -0.091616  -0.064366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004894  -0.111116   0.106489
-    0SOL     H2    2   0.067820  -0.158228   0.147175
-    0SOL     H3    3  -0.007968  -0.144521   0.016840
-    1SOL     O4    4   0.003901   0.121753  -0.101322
-    1SOL     H5    5  -0.074958   0.077800  -0.069514
-    1SOL     H6    6   0.037521   0.064064  -0.169907
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-Generated by ForceBalance from calcs/cluster-02/VLE/480K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126812  -0.012261   0.079030
-    0SOL     H2    2  -0.129545  -0.045037   0.168923
-    0SOL     H3    3  -0.192692   0.057144   0.076778
-    1SOL     O4    4   0.131770   0.017686  -0.083361
-    1SOL     H5    5   0.050314  -0.032553  -0.081539
-    1SOL     H6    6   0.199962  -0.047712  -0.098703
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042525  -0.142289   0.011880
-    0SOL     H2    2  -0.001080  -0.213254   0.059049
-    0SOL     H3    3   0.115822  -0.184649  -0.032791
-    1SOL     O4    4  -0.046036   0.152454  -0.006563
-    1SOL     H5    5  -0.016526   0.061760  -0.014683
-    1SOL     H6    6  -0.047134   0.185469  -0.096403
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024093   0.042187   0.148105
-    0SOL     H2    2   0.019518   0.062552   0.230843
-    0SOL     H3    3  -0.019505  -0.053187   0.141398
-    1SOL     O4    4   0.026005  -0.038072  -0.147651
-    1SOL     H5    5   0.020972  -0.097858  -0.222234
-    1SOL     H6    6  -0.050250   0.018955  -0.157418
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040366   0.126964  -0.081880
-    0SOL     H2    2   0.003540   0.205364  -0.122619
-    0SOL     H3    3   0.007751   0.054567  -0.135333
-    1SOL     O4    4  -0.036567  -0.124841   0.094163
-    1SOL     H5    5   0.038425  -0.154958   0.042865
-    1SOL     H6    6  -0.110841  -0.131249   0.034125
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004160   0.159898   0.041795
-    0SOL     H2    2  -0.005908   0.073943  -0.000288
-    0SOL     H3    3  -0.069897   0.154017   0.111123
-    1SOL     O4    4   0.012084  -0.149421  -0.044904
-    1SOL     H5    5  -0.049300  -0.199992  -0.098166
-    1SOL     H6    6   0.004158  -0.186806   0.042856
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050550   0.131487  -0.068066
-    0SOL     H2    2   0.045110   0.227048  -0.067186
-    0SOL     H3    3   0.144029   0.112692  -0.059654
-    1SOL     O4    4  -0.059814  -0.140444   0.066112
-    1SOL     H5    5  -0.034057  -0.068675   0.008249
-    1SOL     H6    6  -0.005683  -0.128914   0.144209
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003168  -0.138749  -0.092315
-    0SOL     H2    2   0.020227  -0.199001  -0.021713
-    0SOL     H3    3  -0.033697  -0.059900  -0.047447
-    1SOL     O4    4   0.006188   0.131232   0.085882
-    1SOL     H5    5  -0.060740   0.173217   0.139922
-    1SOL     H6    6   0.028199   0.196790   0.019701
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016232   0.071727   0.141134
-    0SOL     H2    2   0.019751   0.006551   0.201298
-    0SOL     H3    3   0.020609   0.154874   0.170993
-    1SOL     O4    4   0.008850  -0.074213  -0.152062
-    1SOL     H5    5   0.033817   0.013985  -0.124493
-    1SOL     H6    6   0.039401  -0.131015  -0.081334
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029760   0.084759   0.145796
-    0SOL     H2    2  -0.033826   0.071205   0.075543
-    0SOL     H3    3   0.089350   0.010163   0.138951
-    1SOL     O4    4  -0.030895  -0.076710  -0.134714
-    1SOL     H5    5  -0.088391  -0.078897  -0.211211
-    1SOL     H6    6   0.049980  -0.118515  -0.164276
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054581   0.084638   0.133593
-    0SOL     H2    2  -0.033476   0.097840   0.168719
-    0SOL     H3    3   0.056170   0.136041   0.052861
-    1SOL     O4    4  -0.054957  -0.089365  -0.129582
-    1SOL     H5    5  -0.013794  -0.068710  -0.213495
-    1SOL     H6    6   0.017988  -0.095332  -0.067892
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095430   0.052020  -0.124095
-    0SOL     H2    2   0.143766   0.132264  -0.143766
-    0SOL     H3    3   0.161091  -0.007154  -0.087360
-    1SOL     O4    4  -0.107752  -0.056647   0.125225
-    1SOL     H5    5  -0.098598  -0.011908   0.041101
-    1SOL     H6    6  -0.023878  -0.042564   0.169147
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112356   0.046321  -0.118065
-    0SOL     H2    2   0.122035   0.009227  -0.030357
-    0SOL     H3    3   0.157170  -0.015796  -0.175472
-    1SOL     O4    4  -0.115693  -0.045615   0.120882
-    1SOL     H5    5  -0.087096   0.045146   0.131227
-    1SOL     H6    6  -0.141810  -0.052226   0.029031
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000834  -0.126091  -0.117027
-    0SOL     H2    2   0.046106  -0.207269  -0.094162
-    0SOL     H3    3  -0.021359  -0.086440  -0.032780
-    1SOL     O4    4  -0.005820   0.123185   0.110385
-    1SOL     H5    5   0.075185   0.146358   0.155812
-    1SOL     H6    6  -0.031605   0.203361   0.064897
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105929  -0.044118   0.125423
-    0SOL     H2    2   0.098802   0.050128   0.110280
-    0SOL     H3    3   0.196399  -0.065339   0.102464
-    1SOL     O4    4  -0.116749   0.037848  -0.125524
-    1SOL     H5    5  -0.044035  -0.022300  -0.109488
-    1SOL     H6    6  -0.083479   0.123451  -0.098550
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.087394  -0.086657   0.130267
-    0SOL     H2    2   0.005067  -0.073404   0.109349
-    0SOL     H3    3  -0.131987  -0.011994   0.090277
-    1SOL     O4    4   0.084230   0.075371  -0.128950
-    1SOL     H5    5   0.015032   0.137867  -0.107313
-    1SOL     H6    6   0.165513   0.121305  -0.107843
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048095  -0.100337   0.128940
-    0SOL     H2    2   0.028812  -0.065532   0.174064
-    0SOL     H3    3  -0.114454  -0.108513   0.197439
-    1SOL     O4    4   0.052500   0.103706  -0.132264
-    1SOL     H5    5   0.010087   0.095410  -0.217673
-    1SOL     H6    6   0.015486   0.032515  -0.080072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.151789  -0.037740  -0.081279
-    0SOL     H2    2  -0.155595   0.047791  -0.124084
-    0SOL     H3    3  -0.170611  -0.019374   0.010758
-    1SOL     O4    4   0.156227   0.036192   0.080675
-    1SOL     H5    5   0.106223   0.035021  -0.000937
-    1SOL     H6    6   0.139556  -0.049348   0.120264
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046462  -0.066631   0.151247
-    0SOL     H2    2  -0.019079   0.001976   0.212121
-    0SOL     H3    3  -0.130707  -0.096711   0.185309
-    1SOL     O4    4   0.053604   0.062476  -0.152150
-    1SOL     H5    5  -0.041734   0.055204  -0.156642
-    1SOL     H6    6   0.077562   0.112472  -0.230180
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092819   0.161981  -0.000746
-    0SOL     H2    2  -0.058214   0.072995   0.006060
-    0SOL     H3    3  -0.185250   0.150176  -0.022645
-    1SOL     O4    4   0.099254  -0.154756   0.007276
-    1SOL     H5    5   0.087870  -0.105260  -0.073859
-    1SOL     H6    6   0.052351  -0.236808  -0.007886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.157840  -0.081046  -0.059005
-    0SOL     H2    2   0.175433   0.008561  -0.030307
-    0SOL     H3    3   0.120567  -0.071301  -0.146629
-    1SOL     O4    4  -0.152190   0.081209   0.064222
-    1SOL     H5    5  -0.184382   0.007928   0.116718
-    1SOL     H6    6  -0.194668   0.070268  -0.020857
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.173143  -0.042324  -0.035185
-    0SOL     H2    2  -0.147939  -0.128986  -0.003300
-    0SOL     H3    3  -0.239698  -0.059667  -0.101759
-    1SOL     O4    4   0.179702   0.046201   0.032424
-    1SOL     H5    5   0.146866   0.134222   0.050766
-    1SOL     H6    6   0.139285  -0.008936   0.099422
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011263  -0.128733  -0.132446
-    0SOL     H2    2  -0.035372  -0.124236  -0.048976
-    0SOL     H3    3  -0.019081  -0.210187  -0.172531
-    1SOL     O4    4  -0.009383   0.129251   0.124899
-    1SOL     H5    5   0.059627   0.193478   0.108321
-    1SOL     H6    6  -0.027587   0.137212   0.218534
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066645  -0.175119   0.001706
-    0SOL     H2    2   0.091900  -0.220637  -0.078623
-    0SOL     H3    3   0.137803  -0.193435   0.063053
-    1SOL     O4    4  -0.073312   0.181772   0.004646
-    1SOL     H5    5  -0.003034   0.201337  -0.057326
-    1SOL     H6    6  -0.116576   0.104527  -0.031736
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.193449   0.004792  -0.046753
-    0SOL     H2    2  -0.130956   0.059152   0.001225
-    0SOL     H3    3  -0.204968  -0.072729   0.008203
-    1SOL     O4    4   0.188985  -0.010271   0.043601
-    1SOL     H5    5   0.196333   0.069237   0.096391
-    1SOL     H6    6   0.209067   0.018179  -0.045560
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036389  -0.189782   0.045482
-    0SOL     H2    2  -0.010764  -0.273578   0.006962
-    0SOL     H3    3  -0.004040  -0.193847   0.135479
-    1SOL     O4    4   0.027805   0.198603  -0.048948
-    1SOL     H5    5   0.034316   0.105469  -0.027829
-    1SOL     H6    6   0.118615   0.228326  -0.054644
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.136241   0.129207  -0.092462
-    0SOL     H2    2   0.108134   0.037726  -0.094351
-    0SOL     H3    3   0.058208   0.177740  -0.065671
-    1SOL     O4    4  -0.126300  -0.127603   0.086642
-    1SOL     H5    5  -0.170060  -0.196613   0.136493
-    1SOL     H6    6  -0.161876  -0.046129   0.122119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.081115   0.170582   0.114205
-    0SOL     H2    2  -0.040496   0.253686   0.138824
-    0SOL     H3    3  -0.011039   0.121358   0.071442
-    1SOL     O4    4   0.078608  -0.166835  -0.113481
-    1SOL     H5    5   0.099381  -0.249912  -0.070714
-    1SOL     H6    6  -0.008572  -0.180139  -0.150694
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012065  -0.116852   0.185569
-    0SOL     H2    2  -0.038811  -0.036635   0.197367
-    0SOL     H3    3   0.093812  -0.100564   0.232627
-    1SOL     O4    4  -0.013142   0.108442  -0.182370
-    1SOL     H5    5  -0.085747   0.099435  -0.244092
-    1SOL     H6    6   0.052410   0.159647  -0.229735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071748  -0.081047   0.195382
-    0SOL     H2    2  -0.077720  -0.080021   0.290910
-    0SOL     H3    3  -0.046519   0.008266   0.171953
-    1SOL     O4    4   0.070710   0.070564  -0.202639
-    1SOL     H5    5   0.147182   0.120532  -0.174045
-    1SOL     H6    6  -0.003968   0.117875  -0.165934
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.151411  -0.066409  -0.150279
-    0SOL     H2    2   0.235446  -0.023680  -0.166852
-    0SOL     H3    3   0.173430  -0.142799  -0.096969
-    1SOL     O4    4  -0.155059   0.063600   0.153932
-    1SOL     H5    5  -0.243699   0.084926   0.124770
-    1SOL     H6    6  -0.097927   0.113387   0.095455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097630   0.111801   0.188347
-    0SOL     H2    2  -0.101218   0.035845   0.130209
-    0SOL     H3    3  -0.045995   0.176448   0.140213
-    1SOL     O4    4   0.092334  -0.114829  -0.186399
-    1SOL     H5    5   0.184539  -0.094517  -0.170650
-    1SOL     H6    6   0.045313  -0.067922  -0.117471
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136835  -0.076768  -0.194976
-    0SOL     H2    2  -0.151056  -0.164404  -0.230754
-    0SOL     H3    3  -0.223509  -0.036158  -0.195790
-    1SOL     O4    4   0.147626   0.082716   0.194730
-    1SOL     H5    5   0.142827   0.047659   0.283670
-    1SOL     H6    6   0.064635   0.057268   0.154392
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034061   0.247925  -0.002626
-    0SOL     H2    2  -0.040806   0.321323   0.058444
-    0SOL     H3    3  -0.091548   0.271837  -0.075330
-    1SOL     O4    4   0.039047  -0.250057   0.008482
-    1SOL     H5    5   0.095151  -0.313642  -0.035921
-    1SOL     H6    6  -0.040935  -0.247814  -0.044055
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.206113  -0.030551  -0.151066
-    0SOL     H2    2  -0.263792   0.045839  -0.150995
-    0SOL     H3    3  -0.243867  -0.089068  -0.216737
-    1SOL     O4    4   0.212731   0.025669   0.149575
-    1SOL     H5    5   0.224830  -0.001633   0.240518
-    1SOL     H6    6   0.184904   0.117066   0.155455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.153254  -0.242396   0.043377
-    0SOL     H2    2  -0.200957  -0.170751   0.001499
-    0SOL     H3    3  -0.123359  -0.297039  -0.029305
-    1SOL     O4    4   0.156098   0.235518  -0.034282
-    1SOL     H5    5   0.127108   0.250524  -0.124264
-    1SOL     H6    6   0.153262   0.322028   0.006588
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028082  -0.063382   0.280593
-    0SOL     H2    2  -0.044463  -0.123049   0.262172
-    0SOL     H3    3   0.057688  -0.087939   0.368244
-    1SOL     O4    4  -0.030136   0.072419  -0.283980
-    1SOL     H5    5  -0.007963  -0.001503  -0.227357
-    1SOL     H6    6   0.034181   0.068564  -0.354767
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-    6
-    0SOL     O1    1   0.146124   0.061451  -0.286411
-    0SOL     H2    2   0.237975   0.075176  -0.309590
-    0SOL     H3    3   0.136062  -0.033695  -0.283518
-    1SOL     O4    4  -0.150353  -0.051174   0.291588
-    1SOL     H5    5  -0.220418  -0.073201   0.230204
-    1SOL     H6    6  -0.087666  -0.123028   0.283243
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.214576   0.191044  -0.155855
-    0SOL     H2    2   0.307039   0.197006  -0.179880
-    0SOL     H3    3   0.210204   0.228341  -0.067809
-    1SOL     O4    4  -0.218675  -0.192644   0.159267
-    1SOL     H5    5  -0.182011  -0.260760   0.102890
-    1SOL     H6    6  -0.268946  -0.136855   0.099914
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018704   0.338491  -0.036957
-    0SOL     H2    2  -0.019145   0.426410  -0.036685
-    0SOL     H3    3   0.069221   0.333860   0.044215
-    1SOL     O4    4  -0.022344  -0.348332   0.034890
-    1SOL     H5    5   0.029043  -0.278292   0.075092
-    1SOL     H6    6  -0.024931  -0.325847  -0.058116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051666   0.118825  -0.371544
-    0SOL     H2    2  -0.060529   0.101090  -0.277900
-    0SOL     H3    3   0.017336   0.184940  -0.377022
-    1SOL     O4    4   0.045875  -0.125943   0.368985
-    1SOL     H5    5   0.016740  -0.034765   0.368573
-    1SOL     H6    6   0.130001  -0.124462   0.323347
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.413392   0.034786   0.029624
-    0SOL     H2    2   0.321896   0.049218   0.005489
-    0SOL     H3    3   0.461302   0.104536  -0.015119
-    1SOL     O4    4  -0.408682  -0.044770  -0.026956
-    1SOL     H5    5  -0.371604   0.039084  -0.054454
-    1SOL     H6    6  -0.491267  -0.021697   0.015586
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.160353  -0.367216   0.220387
-    0SOL     H2    2  -0.253121  -0.355079   0.240615
-    0SOL     H3    3  -0.115672  -0.354435   0.304069
-    1SOL     O4    4   0.168132   0.365007  -0.230272
-    1SOL     H5    5   0.078121   0.337055  -0.246975
-    1SOL     H6    6   0.164748   0.406612  -0.144133
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.195408  -0.344916  -0.339948
-    0SOL     H2    2   0.288455  -0.331837  -0.358212
-    0SOL     H3    3   0.150338  -0.294132  -0.407416
-    1SOL     O4    4  -0.197498   0.340057   0.350803
-    1SOL     H5    5  -0.134494   0.381721   0.292007
-    1SOL     H6    6  -0.273400   0.321620   0.295473
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001892  -0.607950   0.048549
-    0SOL     H2    2   0.032974  -0.629744  -0.037890
-    0SOL     H3    3   0.053367  -0.656638   0.109689
-    1SOL     O4    4   0.002711   0.612475  -0.043504
-    1SOL     H5    5  -0.076180   0.563599  -0.020060
-    1SOL     H6    6  -0.014250   0.644325  -0.132162
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.531631  -0.393800   0.037555
-    0SOL     H2    2  -0.614977  -0.351645   0.058498
-    0SOL     H3    3  -0.485758  -0.399245   0.121391
-    1SOL     O4    4   0.533083   0.388728  -0.037538
-    1SOL     H5    5   0.608466   0.403184  -0.094729
-    1SOL     H6    6   0.460998   0.434470  -0.080823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.668772  -0.123225  -0.229824
-    0SOL     H2    2   0.656267  -0.071738  -0.309543
-    0SOL     H3    3   0.611346  -0.198994  -0.240937
-    1SOL     O4    4  -0.663728   0.127076   0.240959
-    1SOL     H5    5  -0.720969   0.054808   0.215206
-    1SOL     H6    6  -0.625843   0.158157   0.158733
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/480K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113105   0.176460   0.729716
-    0SOL     H2    2  -0.062070   0.109292   0.774952
-    0SOL     H3    3  -0.202568   0.142423   0.729326
-    1SOL     O4    4   0.111542  -0.168941  -0.726193
-    1SOL     H5    5   0.139479  -0.112914  -0.798600
-    1SOL     H6    6   0.140254  -0.256729  -0.751318
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004802   0.021952   0.130087
-    0SOL     H2    2   0.024764  -0.014798   0.043986
-    0SOL     H3    3   0.003281   0.116619   0.116008
-    1SOL     O4    4   0.000561  -0.027642  -0.121848
-    1SOL     H5    5  -0.075996  -0.083053  -0.137049
-    1SOL     H6    6  -0.031406   0.061608  -0.135071
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051762   0.121363  -0.017495
-    0SOL     H2    2   0.083492   0.125610  -0.107703
-    0SOL     H3    3   0.029278   0.029265  -0.004275
-    1SOL     O4    4  -0.046487  -0.112832   0.023353
-    1SOL     H5    5  -0.130067  -0.098180   0.067647
-    1SOL     H6    6  -0.064490  -0.182931  -0.039291
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000307  -0.086311   0.091800
-    0SOL     H2    2   0.056066  -0.138309   0.033925
-    0SOL     H3    3  -0.059459  -0.149935   0.131073
-    1SOL     O4    4  -0.006054   0.095737  -0.090814
-    1SOL     H5    5   0.025012   0.022069  -0.038181
-    1SOL     H6    6   0.068998   0.119743  -0.145157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062390   0.121004  -0.003602
-    0SOL     H2    2   0.038089   0.029469  -0.017503
-    0SOL     H3    3  -0.020128   0.164857   0.017133
-    1SOL     O4    4  -0.056246  -0.113600   0.008969
-    1SOL     H5    5  -0.003133  -0.192325  -0.003014
-    1SOL     H6    6  -0.110290  -0.108878  -0.069893
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076759  -0.003585  -0.100387
-    0SOL     H2    2  -0.154139  -0.059880  -0.098029
-    0SOL     H3    3  -0.095608   0.060248  -0.169179
-    1SOL     O4    4   0.079726   0.005867   0.109465
-    1SOL     H5    5   0.167591  -0.029656   0.096042
-    1SOL     H6    6   0.037007  -0.002934   0.024260
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099751   0.002050   0.079944
-    0SOL     H2    2   0.136291  -0.041115   0.157171
-    0SOL     H3    3   0.170653   0.000280   0.015662
-    1SOL     O4    4  -0.106950   0.005872  -0.084197
-    1SOL     H5    5  -0.032707  -0.021370  -0.030269
-    1SOL     H6    6  -0.167592  -0.068104  -0.080679
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006761  -0.140168   0.011942
-    0SOL     H2    2  -0.014520  -0.055864   0.051968
-    0SOL     H3    3   0.010159  -0.121970  -0.081971
-    1SOL     O4    4  -0.007649   0.131166  -0.003227
-    1SOL     H5    5  -0.057769   0.149002  -0.082801
-    1SOL     H6    6   0.079841   0.165254  -0.021823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065408   0.110547   0.003988
-    0SOL     H2    2  -0.025687   0.197161  -0.005108
-    0SOL     H3    3  -0.155100   0.121855  -0.027473
-    1SOL     O4    4   0.071861  -0.120815   0.000939
-    1SOL     H5    5   0.017825  -0.131084  -0.077400
-    1SOL     H6    6   0.057043  -0.030394   0.028630
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032245   0.072553   0.112750
-    0SOL     H2    2  -0.061377   0.065380   0.131349
-    0SOL     H3    3   0.067892  -0.013301   0.135566
-    1SOL     O4    4  -0.023371  -0.067351  -0.119435
-    1SOL     H5    5  -0.111178  -0.105000  -0.125336
-    1SOL     H6    6  -0.026315  -0.011664  -0.041636
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028312  -0.121498   0.065558
-    0SOL     H2    2  -0.096463  -0.160440   0.010774
-    0SOL     H3    3  -0.022541  -0.030712   0.035778
-    1SOL     O4    4   0.025860   0.114673  -0.058782
-    1SOL     H5    5   0.079929   0.168571  -0.001043
-    1SOL     H6    6   0.070219   0.118333  -0.143524
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037343  -0.057655   0.114118
-    0SOL     H2    2  -0.039662  -0.112624   0.128643
-    0SOL     H3    3   0.106025  -0.098069   0.167143
-    1SOL     O4    4  -0.041215   0.067884  -0.119410
-    1SOL     H5    5   0.018223   0.017851  -0.175321
-    1SOL     H6    6  -0.024337   0.035127  -0.031067
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033189  -0.129321   0.007484
-    0SOL     H2    2  -0.122123  -0.162911  -0.003690
-    0SOL     H3    3   0.009482  -0.192986   0.064827
-    1SOL     O4    4   0.032886   0.139505  -0.012347
-    1SOL     H5    5   0.115577   0.137355   0.035820
-    1SOL     H6    6   0.003437   0.048436  -0.013546
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.121109   0.047210   0.033793
-    0SOL     H2    2  -0.161669   0.063000   0.119045
-    0SOL     H3    3  -0.189510   0.004513  -0.017787
-    1SOL     O4    4   0.132608  -0.046941  -0.039392
-    1SOL     H5    5   0.105548  -0.088509   0.042475
-    1SOL     H6    6   0.063485   0.016593  -0.058040
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040089   0.105024  -0.070831
-    0SOL     H2    2   0.021059   0.125869  -0.141462
-    0SOL     H3    3  -0.101476   0.178460  -0.069780
-    1SOL     O4    4   0.035685  -0.113696   0.078648
-    1SOL     H5    5   0.128461  -0.137206   0.080165
-    1SOL     H6    6   0.029660  -0.043977   0.013340
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038532   0.072711   0.114888
-    0SOL     H2    2  -0.019051   0.058508   0.207522
-    0SOL     H3    3   0.021387   0.014214   0.068519
-    1SOL     O4    4   0.028168  -0.067540  -0.113758
-    1SOL     H5    5   0.071253  -0.014084  -0.180455
-    1SOL     H6    6   0.085032  -0.143888  -0.103774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009477   0.113288  -0.090589
-    0SOL     H2    2   0.025535   0.184045  -0.028157
-    0SOL     H3    3   0.042022   0.034701  -0.046688
-    1SOL     O4    4  -0.009852  -0.115514   0.089668
-    1SOL     H5    5  -0.083171  -0.054516   0.081552
-    1SOL     H6    6   0.019034  -0.130431  -0.000362
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111634   0.047046   0.076950
-    0SOL     H2    2   0.200423   0.011531   0.072763
-    0SOL     H3    3   0.064052   0.000915   0.007884
-    1SOL     O4    4  -0.111150  -0.038071  -0.077416
-    1SOL     H5    5  -0.163425  -0.012815  -0.001312
-    1SOL     H6    6  -0.109389  -0.133734  -0.074645
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083696   0.092326   0.071391
-    0SOL     H2    2   0.061003   0.125179   0.158385
-    0SOL     H3    3   0.007157   0.041721   0.044129
-    1SOL     O4    4  -0.078010  -0.094687  -0.068504
-    1SOL     H5    5  -0.005515  -0.080422  -0.129358
-    1SOL     H6    6  -0.154203  -0.057290  -0.112758
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121023  -0.062428  -0.019244
-    0SOL     H2    2   0.179097  -0.039141  -0.091683
-    0SOL     H3    3   0.098280  -0.154026  -0.035213
-    1SOL     O4    4  -0.127207   0.072551   0.026597
-    1SOL     H5    5  -0.032220   0.061099   0.023658
-    1SOL     H6    6  -0.162444  -0.012009  -0.001160
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028143   0.046242   0.138709
-    0SOL     H2    2  -0.106004   0.055226   0.083761
-    0SOL     H3    3   0.045197   0.051145   0.077395
-    1SOL     O4    4   0.028607  -0.048972  -0.124507
-    1SOL     H5    5   0.044479   0.037782  -0.161710
-    1SOL     H6    6   0.015155  -0.105583  -0.200511
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.049485   0.073848  -0.116698
-    0SOL     H2    2  -0.000372   0.013023  -0.062137
-    0SOL     H3    3   0.110274   0.018158  -0.165335
-    1SOL     O4    4  -0.048081  -0.062362   0.113449
-    1SOL     H5    5  -0.005503  -0.142796   0.143109
-    1SOL     H6    6  -0.136939  -0.067874   0.148609
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128588   0.053950   0.018670
-    0SOL     H2    2  -0.128902   0.149175   0.008946
-    0SOL     H3    3  -0.187595   0.022631  -0.049884
-    1SOL     O4    4   0.136906  -0.054820  -0.017774
-    1SOL     H5    5   0.118085  -0.138522   0.024677
-    1SOL     H6    6   0.057266  -0.003184  -0.005383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093070   0.064604   0.078902
-    0SOL     H2    2  -0.065672   0.155119   0.093689
-    0SOL     H3    3  -0.177372   0.057429   0.123667
-    1SOL     O4    4   0.095110  -0.067872  -0.088990
-    1SOL     H5    5   0.068185  -0.019106  -0.011148
-    1SOL     H6    6   0.145949  -0.141431  -0.054833
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.134162   0.007506   0.051516
-    0SOL     H2    2   0.104565   0.047295   0.133389
-    0SOL     H3    3   0.146497  -0.084984   0.072867
-    1SOL     O4    4  -0.139115  -0.002484  -0.055360
-    1SOL     H5    5  -0.054277  -0.005903  -0.011165
-    1SOL     H6    6  -0.121896  -0.036792  -0.143046
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090617  -0.103546  -0.022921
-    0SOL     H2    2   0.126549  -0.119964  -0.110109
-    0SOL     H3    3   0.160061  -0.130605   0.037141
-    1SOL     O4    4  -0.099165   0.111125   0.020352
-    1SOL     H5    5  -0.145011   0.032914   0.051067
-    1SOL     H6    6  -0.011292   0.103597   0.057554
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012967   0.123873  -0.069336
-    0SOL     H2    2   0.038957   0.107856  -0.148137
-    0SOL     H3    3  -0.102101   0.137126  -0.101612
-    1SOL     O4    4   0.011094  -0.124608   0.080324
-    1SOL     H5    5  -0.003208  -0.067905   0.004544
-    1SOL     H6    6   0.095783  -0.165998   0.063683
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027129   0.130533   0.051501
-    0SOL     H2    2  -0.014164   0.148629   0.144597
-    0SOL     H3    3   0.053144   0.161580   0.009612
-    1SOL     O4    4   0.019382  -0.134492  -0.061139
-    1SOL     H5    5   0.105288  -0.155782  -0.024681
-    1SOL     H6    6  -0.028329  -0.094548   0.011596
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.105773   0.086579   0.047255
-    0SOL     H2    2  -0.113410   0.101186   0.141545
-    0SOL     H3    3  -0.157758   0.007894   0.030872
-    1SOL     O4    4   0.107889  -0.086877  -0.045084
-    1SOL     H5    5   0.178132  -0.095461  -0.109540
-    1SOL     H6    6   0.051999  -0.017266  -0.079623
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043037   0.123010   0.065695
-    0SOL     H2    2  -0.030550   0.096096   0.120675
-    0SOL     H3    3   0.112848   0.144126   0.127686
-    1SOL     O4    4  -0.037238  -0.126560  -0.070481
-    1SOL     H5    5  -0.125674  -0.154791  -0.093814
-    1SOL     H6    6  -0.039952  -0.031116  -0.077225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017814   0.149261   0.035920
-    0SOL     H2    2   0.000593   0.055897   0.048121
-    0SOL     H3    3   0.028796   0.159486  -0.058617
-    1SOL     O4    4  -0.018233  -0.140708  -0.025938
-    1SOL     H5    5   0.054250  -0.199455  -0.047322
-    1SOL     H6    6  -0.076788  -0.146366  -0.101447
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108840   0.111046  -0.020381
-    0SOL     H2    2   0.072940   0.024529  -0.040087
-    0SOL     H3    3   0.044136   0.151245   0.037582
-    1SOL     O4    4  -0.096543  -0.107769   0.016279
-    1SOL     H5    5  -0.127247  -0.138200   0.101682
-    1SOL     H6    6  -0.176391  -0.083994  -0.030853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007371   0.001346  -0.143378
-    0SOL     H2    2  -0.084053  -0.023786  -0.194861
-    0SOL     H3    3   0.065995  -0.006085  -0.204407
-    1SOL     O4    4   0.013591   0.001979   0.152090
-    1SOL     H5    5  -0.073178   0.006319   0.192271
-    1SOL     H6    6  -0.002595  -0.030345   0.063459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014611  -0.146258  -0.025872
-    0SOL     H2    2   0.052839  -0.204274   0.009440
-    0SOL     H3    3   0.017735  -0.121836  -0.112587
-    1SOL     O4    4   0.005867   0.152981   0.029589
-    1SOL     H5    5   0.099758   0.151668   0.011013
-    1SOL     H6    6  -0.019246   0.060672   0.032847
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060883   0.013818   0.132506
-    0SOL     H2    2  -0.091186   0.024978   0.222615
-    0SOL     H3    3  -0.133786   0.044644   0.078679
-    1SOL     O4    4   0.062978  -0.012696  -0.139702
-    1SOL     H5    5   0.062348   0.005246  -0.045681
-    1SOL     H6    6   0.122845  -0.086725  -0.149607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024602   0.039444   0.152049
-    0SOL     H2    2   0.101718   0.036888   0.095401
-    0SOL     H3    3  -0.011729  -0.048976   0.147132
-    1SOL     O4    4  -0.030768  -0.033493  -0.142900
-    1SOL     H5    5   0.042376  -0.094625  -0.151568
-    1SOL     H6    6  -0.035178   0.010821  -0.227630
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.086827   0.132120   0.002201
-    0SOL     H2    2   0.029058   0.061773   0.031803
-    0SOL     H3    3   0.141099   0.152282   0.078426
-    1SOL     O4    4  -0.085576  -0.127464  -0.013731
-    1SOL     H5    5  -0.040187  -0.195704   0.035721
-    1SOL     H6    6  -0.152943  -0.095223   0.046140
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016995   0.152000   0.013287
-    0SOL     H2    2  -0.041659   0.237746   0.047951
-    0SOL     H3    3   0.059550   0.169373  -0.041496
-    1SOL     O4    4   0.018048  -0.160570  -0.016427
-    1SOL     H5    5   0.002002  -0.189033   0.073543
-    1SOL     H6    6  -0.040254  -0.085645  -0.028654
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127721  -0.033088  -0.088566
-    0SOL     H2    2  -0.177065  -0.095115  -0.142233
-    0SOL     H3    3  -0.037392  -0.064516  -0.092493
-    1SOL     O4    4   0.129940   0.037491   0.088161
-    1SOL     H5    5   0.080569   0.118230   0.102513
-    1SOL     H6    6   0.089548  -0.026148   0.147160
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054034  -0.042958   0.143109
-    0SOL     H2    2  -0.135250   0.005603   0.157533
-    0SOL     H3    3   0.012147   0.005879   0.192071
-    1SOL     O4    4   0.060151   0.039108  -0.142503
-    1SOL     H5    5  -0.028288   0.007569  -0.123901
-    1SOL     H6    6   0.066547   0.037684  -0.237998
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098860  -0.140792   0.022916
-    0SOL     H2    2  -0.050647  -0.139353   0.105595
-    0SOL     H3    3  -0.051195  -0.080106  -0.033720
-    1SOL     O4    4   0.087151   0.133196  -0.024963
-    1SOL     H5    5   0.151473   0.145256  -0.094817
-    1SOL     H6    6   0.121927   0.183552   0.048638
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105316  -0.119070   0.038321
-    0SOL     H2    2   0.195904  -0.124547   0.068752
-    0SOL     H3    3   0.058555  -0.184478   0.090259
-    1SOL     O4    4  -0.111239   0.124244  -0.049028
-    1SOL     H5    5  -0.018051   0.107204  -0.035324
-    1SOL     H6    6  -0.148337   0.127096   0.039165
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.147087   0.082727  -0.037205
-    0SOL     H2    2   0.096255   0.076984  -0.118108
-    0SOL     H3    3   0.192460  -0.001353  -0.031351
-    1SOL     O4    4  -0.147042  -0.074419   0.046697
-    1SOL     H5    5  -0.214769  -0.131089   0.009767
-    1SOL     H6    6  -0.072624  -0.084100  -0.012721
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029393   0.157908  -0.047247
-    0SOL     H2    2   0.027852   0.198948  -0.133709
-    0SOL     H3    3   0.120974   0.163035  -0.019878
-    1SOL     O4    4  -0.035704  -0.166175   0.055053
-    1SOL     H5    5  -0.098504  -0.099604   0.027003
-    1SOL     H6    6   0.046163  -0.141608   0.011966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.151266   0.021278  -0.078421
-    0SOL     H2    2   0.083866   0.086916  -0.096065
-    0SOL     H3    3   0.170054  -0.017414  -0.163932
-    1SOL     O4    4  -0.149639  -0.027929   0.089630
-    1SOL     H5    5  -0.214268   0.017435   0.035523
-    1SOL     H6    6  -0.065600   0.009306   0.062923
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033768  -0.164742   0.031049
-    0SOL     H2    2  -0.098895  -0.234223   0.021395
-    0SOL     H3    3  -0.067600  -0.109791   0.101746
-    1SOL     O4    4   0.043432   0.169838  -0.036635
-    1SOL     H5    5  -0.046484   0.152974  -0.064793
-    1SOL     H6    6   0.057805   0.108744   0.035638
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137266  -0.036052  -0.106980
-    0SOL     H2    2   0.072800  -0.105379  -0.092831
-    0SOL     H3    3   0.114088   0.001281  -0.192017
-    1SOL     O4    4  -0.132789   0.036442   0.104154
-    1SOL     H5    5  -0.200207   0.009098   0.166360
-    1SOL     H6    6  -0.067224   0.080945   0.157848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083482  -0.111996  -0.110489
-    0SOL     H2    2  -0.019220  -0.151806  -0.051771
-    0SOL     H3    3  -0.136875  -0.185378  -0.140928
-    1SOL     O4    4   0.078768   0.115086   0.113261
-    1SOL     H5    5   0.153808   0.075585   0.068864
-    1SOL     H6    6   0.079876   0.206656   0.085404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080351  -0.124976  -0.110641
-    0SOL     H2    2  -0.151587  -0.154965  -0.054175
-    0SOL     H3    3  -0.056618  -0.039059  -0.075752
-    1SOL     O4    4   0.080755   0.116854   0.103818
-    1SOL     H5    5   0.096037   0.147356   0.193252
-    1SOL     H6    6   0.109127   0.189613   0.048469
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017660   0.183739  -0.019193
-    0SOL     H2    2   0.036652   0.262515  -0.070143
-    0SOL     H3    3   0.065595   0.114045  -0.063995
-    1SOL     O4    4  -0.022129  -0.182952   0.017626
-    1SOL     H5    5  -0.033166  -0.266767   0.062521
-    1SOL     H6    6   0.001188  -0.121393   0.087118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095087  -0.030496  -0.152988
-    0SOL     H2    2   0.122320   0.025798  -0.225456
-    0SOL     H3    3   0.084269  -0.116988  -0.192541
-    1SOL     O4    4  -0.090537   0.032801   0.156481
-    1SOL     H5    5  -0.117709  -0.027347   0.225809
-    1SOL     H6    6  -0.169617   0.082454   0.135430
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161583   0.009272   0.103333
-    0SOL     H2    2  -0.171084  -0.027116   0.015311
-    0SOL     H3    3  -0.195083   0.098646   0.096100
-    1SOL     O4    4   0.167093  -0.017041  -0.097675
-    1SOL     H5    5   0.195863   0.066680  -0.134080
-    1SOL     H6    6   0.075882  -0.002269  -0.072683
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128128  -0.076836  -0.126704
-    0SOL     H2    2  -0.052887  -0.033821  -0.086075
-    0SOL     H3    3  -0.202077  -0.019251  -0.107265
-    1SOL     O4    4   0.133976   0.066590   0.120975
-    1SOL     H5    5   0.045315   0.040453   0.145842
-    1SOL     H6    6   0.134727   0.161749   0.131295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057354  -0.163957  -0.074192
-    0SOL     H2    2   0.118353  -0.165306  -0.147947
-    0SOL     H3    3   0.033496  -0.255727  -0.061100
-    1SOL     O4    4  -0.054257   0.173540   0.080712
-    1SOL     H5    5  -0.139885   0.200312   0.047342
-    1SOL     H6    6  -0.052046   0.078720   0.067804
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084274   0.165234  -0.068115
-    0SOL     H2    2  -0.009378   0.184441  -0.063357
-    0SOL     H3    3   0.098791   0.138938  -0.159001
-    1SOL     O4    4  -0.078523  -0.159276   0.069301
-    1SOL     H5    5  -0.160609  -0.196313   0.101742
-    1SOL     H6    6  -0.010798  -0.218099   0.102701
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096505  -0.151670  -0.096008
-    0SOL     H2    2  -0.053413  -0.126262  -0.014400
-    0SOL     H3    3  -0.087720  -0.075017  -0.152661
-    1SOL     O4    4   0.094551   0.149419   0.088607
-    1SOL     H5    5   0.033034   0.168298   0.159470
-    1SOL     H6    6   0.143159   0.072697   0.118826
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.178240  -0.034546  -0.067379
-    0SOL     H2    2  -0.188874  -0.084642  -0.148247
-    0SOL     H3    3  -0.216843  -0.089977   0.000441
-    1SOL     O4    4   0.185620   0.044454   0.070714
-    1SOL     H5    5   0.090962   0.044887   0.084926
-    1SOL     H6    6   0.199297  -0.020944   0.002170
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012118   0.124912   0.159333
-    0SOL     H2    2   0.028546   0.066084   0.085633
-    0SOL     H3    3   0.066812   0.201441   0.141608
-    1SOL     O4    4  -0.019464  -0.122968  -0.149667
-    1SOL     H5    5   0.020816  -0.209792  -0.148410
-    1SOL     H6    6   0.002207  -0.087706  -0.235976
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003361   0.122810   0.167599
-    0SOL     H2    2  -0.066327   0.082146   0.219100
-    0SOL     H3    3  -0.042573   0.179148   0.105322
-    1SOL     O4    4   0.007541  -0.123139  -0.170943
-    1SOL     H5    5  -0.033413  -0.204941  -0.142774
-    1SOL     H6    6  -0.031571  -0.056160  -0.114851
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063118  -0.016908   0.199145
-    0SOL     H2    2  -0.079638  -0.020005   0.104912
-    0SOL     H3    3  -0.149489  -0.027531   0.239014
-    1SOL     O4    4   0.061717   0.018806  -0.197401
-    1SOL     H5    5   0.102954  -0.028700  -0.125255
-    1SOL     H6    6   0.134813   0.047442  -0.252166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006441   0.157937   0.135134
-    0SOL     H2    2  -0.037712   0.181737   0.047853
-    0SOL     H3    3  -0.052113   0.217873   0.194160
-    1SOL     O4    4   0.012553  -0.156587  -0.131367
-    1SOL     H5    5  -0.069029  -0.182603  -0.174144
-    1SOL     H6    6   0.063351  -0.237492  -0.125341
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.172188  -0.050176   0.107266
-    0SOL     H2    2   0.153310  -0.141917   0.087528
-    0SOL     H3    3   0.263681  -0.050015   0.135396
-    1SOL     O4    4  -0.178115   0.057985  -0.112031
-    1SOL     H5    5  -0.132933   0.090641  -0.034221
-    1SOL     H6    6  -0.178617  -0.037135  -0.101341
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.170545   0.083749   0.115929
-    0SOL     H2    2   0.259334   0.049101   0.124778
-    0SOL     H3    3   0.132671   0.034410   0.043173
-    1SOL     O4    4  -0.170909  -0.084724  -0.110211
-    1SOL     H5    5  -0.251915  -0.041075  -0.083847
-    1SOL     H6    6  -0.136344  -0.030418  -0.181052
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031908   0.072813  -0.217639
-    0SOL     H2    2   0.075500  -0.001189  -0.175382
-    0SOL     H3    3   0.008300   0.131138  -0.145506
-    1SOL     O4    4  -0.037493  -0.075840   0.211637
-    1SOL     H5    5   0.048893  -0.096520   0.175970
-    1SOL     H6    6  -0.035782   0.018890   0.225262
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.223343   0.023191   0.018946
-    0SOL     H2    2  -0.239851   0.103502   0.068341
-    0SOL     H3    3  -0.261677  -0.046248   0.072529
-    1SOL     O4    4   0.225036  -0.017678  -0.026774
-    1SOL     H5    5   0.304373  -0.060546   0.005324
-    1SOL     H6    6   0.153728  -0.075011   0.001341
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.086443  -0.049348   0.208001
-    0SOL     H2    2   0.099013  -0.052608   0.302837
-    0SOL     H3    3  -0.007321  -0.064152   0.195698
-    1SOL     O4    4  -0.081457   0.055873  -0.217543
-    1SOL     H5    5  -0.016737  -0.010644  -0.194110
-    1SOL     H6    6  -0.155877   0.038281  -0.159972
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080071   0.013665  -0.215249
-    0SOL     H2    2  -0.087285   0.059023  -0.299230
-    0SOL     H3    3  -0.117813  -0.072812  -0.231360
-    1SOL     O4    4   0.076031  -0.009453   0.219150
-    1SOL     H5    5   0.155876   0.021884   0.176663
-    1SOL     H6    6   0.105875  -0.078425   0.278433
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.181166  -0.084355  -0.112669
-    0SOL     H2    2   0.216132  -0.173417  -0.109904
-    0SOL     H3    3   0.241088  -0.036824  -0.170222
-    1SOL     O4    4  -0.183327   0.087037   0.121228
-    1SOL     H5    5  -0.241452   0.149850   0.078352
-    1SOL     H6    6  -0.173704   0.016041   0.057752
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.138833   0.026314  -0.196854
-    0SOL     H2    2   0.141308  -0.044830  -0.132864
-    0SOL     H3    3   0.230443   0.051687  -0.208086
-    1SOL     O4    4  -0.147774  -0.028316   0.197570
-    1SOL     H5    5  -0.173588   0.016989   0.117298
-    1SOL     H6    6  -0.058879   0.002584   0.215039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161665   0.125352   0.149118
-    0SOL     H2    2  -0.114307   0.117091   0.066346
-    0SOL     H3    3  -0.238480   0.069233   0.138523
-    1SOL     O4    4   0.160935  -0.115040  -0.145166
-    1SOL     H5    5   0.119254  -0.176665  -0.084937
-    1SOL     H6    6   0.237693  -0.161825  -0.178054
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080688   0.227310  -0.085445
-    0SOL     H2    2   0.018253   0.275085  -0.140050
-    0SOL     H3    3   0.077275   0.271648  -0.000682
-    1SOL     O4    4  -0.078410  -0.236431   0.088764
-    1SOL     H5    5   0.008409  -0.215521   0.054302
-    1SOL     H6    6  -0.138994  -0.190197   0.030848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.093182   0.056443   0.231316
-    0SOL     H2    2   0.028307   0.074942   0.299222
-    0SOL     H3    3   0.166337   0.114787   0.251483
-    1SOL     O4    4  -0.095553  -0.061748  -0.230719
-    1SOL     H5    5  -0.141396  -0.041796  -0.312344
-    1SOL     H6    6  -0.003184  -0.065926  -0.255474
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.185643   0.120948  -0.171866
-    0SOL     H2    2  -0.092643   0.101035  -0.182670
-    0SOL     H3    3  -0.209276   0.168986  -0.251214
-    1SOL     O4    4   0.180588  -0.117416   0.174028
-    1SOL     H5    5   0.260571  -0.136273   0.223114
-    1SOL     H6    6   0.130202  -0.198699   0.178105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.152399  -0.159452   0.190305
-    0SOL     H2    2  -0.159226  -0.210344   0.109523
-    0SOL     H3    3  -0.094774  -0.086396   0.167846
-    1SOL     O4    4   0.146070   0.152720  -0.182209
-    1SOL     H5    5   0.235975   0.178909  -0.162372
-    1SOL     H6    6   0.109220   0.227336  -0.229505
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002873  -0.291049   0.041406
-    0SOL     H2    2  -0.020043  -0.259361  -0.045961
-    0SOL     H3    3   0.080062  -0.240044   0.065954
-    1SOL     O4    4  -0.007873   0.289628  -0.033224
-    1SOL     H5    5   0.024699   0.200848  -0.048040
-    1SOL     H6    6  -0.007646   0.330066  -0.119982
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.191030   0.028905   0.265141
-    0SOL     H2    2   0.113703   0.084736   0.273254
-    0SOL     H3    3   0.257769   0.085774   0.226747
-    1SOL     O4    4  -0.192412  -0.032372  -0.269318
-    1SOL     H5    5  -0.107135  -0.059636  -0.235453
-    1SOL     H6    6  -0.254149  -0.054687  -0.199655
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153093   0.182578  -0.240132
-    0SOL     H2    2   0.185854   0.114652  -0.181182
-    0SOL     H3    3   0.077762   0.219832  -0.194309
-    1SOL     O4    4  -0.149421  -0.173982   0.236422
-    1SOL     H5    5  -0.235604  -0.215601   0.238061
-    1SOL     H6    6  -0.089569  -0.243775   0.209796
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.348063   0.112915  -0.190591
-    0SOL     H2    2  -0.383395   0.047139  -0.250487
-    0SOL     H3    3  -0.340875   0.192274  -0.243628
-    1SOL     O4    4   0.355869  -0.112623   0.196789
-    1SOL     H5    5   0.290598  -0.050821   0.163887
-    1SOL     H6    6   0.304751  -0.187715   0.226964
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.180549   0.146671   0.353191
-    0SOL     H2    2  -0.207115   0.227633   0.396800
-    0SOL     H3    3  -0.178393   0.169112   0.260164
-    1SOL     O4    4   0.179033  -0.152652  -0.344746
-    1SOL     H5    5   0.214531  -0.069117  -0.375146
-    1SOL     H6    6   0.190921  -0.212146  -0.418783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.155818   0.095470  -0.393853
-    0SOL     H2    2  -0.131152   0.059547  -0.479079
-    0SOL     H3    3  -0.237477   0.142592  -0.410396
-    1SOL     O4    4   0.156006  -0.090412   0.398600
-    1SOL     H5    5   0.250383  -0.105369   0.392962
-    1SOL     H6    6   0.119209  -0.176512   0.418478
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.378803   0.151623   0.165158
-    0SOL     H2    2   0.469804   0.126825   0.181472
-    0SOL     H3    3   0.328173   0.099398   0.227379
-    1SOL     O4    4  -0.384086  -0.151675  -0.167336
-    1SOL     H5    5  -0.302289  -0.157551  -0.216703
-    1SOL     H6    6  -0.404350  -0.058143  -0.165512
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.210870   0.301609  -0.291356
-    0SOL     H2    2  -0.150724   0.282316  -0.219436
-    0SOL     H3    3  -0.281803   0.238178  -0.280991
-    1SOL     O4    4   0.216873  -0.299009   0.291142
-    1SOL     H5    5   0.205811  -0.232911   0.222797
-    1SOL     H6    6   0.132036  -0.343086   0.295856
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135160  -0.308350  -0.384014
-    0SOL     H2    2  -0.076519  -0.245133  -0.425573
-    0SOL     H3    3  -0.082878  -0.347002  -0.313765
-    1SOL     O4    4   0.128770   0.309552   0.375722
-    1SOL     H5    5   0.053621   0.297348   0.433739
-    1SOL     H6    6   0.203567   0.277850   0.426345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.378195  -0.194272   0.283278
-    0SOL     H2    2   0.338424  -0.109732   0.304100
-    0SOL     H3    3   0.472334  -0.179309   0.292007
-    1SOL     O4    4  -0.375376   0.187972  -0.287137
-    1SOL     H5    5  -0.424285   0.140157  -0.220174
-    1SOL     H6    6  -0.428644   0.265464  -0.305016
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.354155   0.368960   0.005282
-    0SOL     H2    2  -0.317360   0.456507   0.017282
-    0SOL     H3    3  -0.410644   0.356020   0.081465
-    1SOL     O4    4   0.349242  -0.371008  -0.008105
-    1SOL     H5    5   0.423538  -0.315339  -0.031416
-    1SOL     H6    6   0.380542  -0.460246  -0.022913
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.511802  -0.186939  -0.128127
-    0SOL     H2    2   0.516592  -0.241953  -0.049942
-    0SOL     H3    3   0.459772  -0.111282  -0.101085
-    1SOL     O4    4  -0.513514   0.190963   0.120339
-    1SOL     H5    5  -0.500020   0.107324   0.075789
-    1SOL     H6    6  -0.453590   0.188363   0.194935
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.408900  -0.174781   0.437517
-    0SOL     H2    2   0.429921  -0.161857   0.530001
-    0SOL     H3    3   0.450502  -0.101011   0.392913
-    1SOL     O4    4  -0.415715   0.168439  -0.434982
-    1SOL     H5    5  -0.327499   0.205591  -0.434873
-    1SOL     H6    6  -0.439876   0.164247  -0.527508
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.418509  -0.466732  -0.221657
-    0SOL     H2    2   0.419480  -0.505635  -0.309110
-    0SOL     H3    3   0.337436  -0.498703  -0.182067
-    1SOL     O4    4  -0.414085   0.475196   0.220874
-    1SOL     H5    5  -0.433557   0.474345   0.314589
-    1SOL     H6    6  -0.392701   0.384264   0.199980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.297172  -0.416689  -0.543035
-    0SOL     H2    2   0.319375  -0.496477  -0.591027
-    0SOL     H3    3   0.363641  -0.410671  -0.474421
-    1SOL     O4    4  -0.303379   0.417488   0.546513
-    1SOL     H5    5  -0.335825   0.406607   0.457120
-    1SOL     H6    6  -0.261140   0.503384   0.546425
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.655570   0.277173  -0.335240
-    0SOL     H2    2  -0.586485   0.231981  -0.286791
-    0SOL     H3    3  -0.616826   0.361291  -0.359435
-    1SOL     O4    4   0.644710  -0.282165   0.334358
-    1SOL     H5    5   0.656463  -0.192190   0.303882
-    1SOL     H6    6   0.732839  -0.311278   0.357768
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/490K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.796455   0.318578   0.526544
-    0SOL     H2    2   0.777618   0.241672   0.472758
-    0SOL     H3    3   0.891885   0.325918   0.525336
-    1SOL     O4    4  -0.802070  -0.314657  -0.517194
-    1SOL     H5    5  -0.851119  -0.368036  -0.579702
-    1SOL     H6    6  -0.738530  -0.267221  -0.570812
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085158   0.013912   0.085985
-    0SOL     H2    2  -0.135787   0.074687   0.139887
-    0SOL     H3    3  -0.137395  -0.066287   0.084727
-    1SOL     O4    4   0.097035  -0.015755  -0.086166
-    1SOL     H5    5   0.070466  -0.009242  -0.177893
-    1SOL     H6    6   0.023966   0.022094  -0.037271
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113202   0.001862   0.066633
-    0SOL     H2    2   0.022211  -0.027428   0.061614
-    0SOL     H3    3   0.118126   0.050935   0.148670
-    1SOL     O4    4  -0.110605  -0.007522  -0.066418
-    1SOL     H5    5  -0.050610  -0.003009  -0.140867
-    1SOL     H6    6  -0.144964   0.081408  -0.057860
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097600   0.079811   0.014400
-    0SOL     H2    2   0.173802   0.084998  -0.043294
-    0SOL     H3    3   0.045999   0.157553  -0.006949
-    1SOL     O4    4  -0.105516  -0.084540  -0.008913
-    1SOL     H5    5  -0.050899  -0.006054  -0.004531
-    1SOL     H6    6  -0.047638  -0.152114  -0.044214
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016329   0.077490   0.100108
-    0SOL     H2    2  -0.083359   0.028885   0.148138
-    0SOL     H3    3   0.053081   0.092461   0.164299
-    1SOL     O4    4   0.018618  -0.072532  -0.112319
-    1SOL     H5    5   0.017676  -0.033749  -0.024813
-    1SOL     H6    6  -0.019088  -0.159694  -0.100346
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101075   0.017185   0.082703
-    0SOL     H2    2   0.183902  -0.024699   0.059301
-    0SOL     H3    3   0.096613   0.094580   0.026555
-    1SOL     O4    4  -0.110115  -0.014740  -0.076593
-    1SOL     H5    5  -0.038697  -0.043041  -0.019488
-    1SOL     H6    6  -0.098518  -0.065883  -0.156670
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102229  -0.056844   0.057084
-    0SOL     H2    2  -0.125433  -0.143351   0.023315
-    0SOL     H3    3  -0.053734  -0.074745   0.137645
-    1SOL     O4    4   0.101883   0.065951  -0.066078
-    1SOL     H5    5   0.024369   0.015323  -0.041773
-    1SOL     H6    6   0.159643   0.059399   0.009970
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-    6
-    0SOL     O1    1  -0.050472  -0.106388  -0.067888
-    0SOL     H2    2  -0.145604  -0.116909  -0.069145
-    0SOL     H3    3  -0.036860  -0.011819  -0.062083
-    1SOL     O4    4   0.054367   0.098814   0.073626
-    1SOL     H5    5   0.117684   0.074290   0.006157
-    1SOL     H6    6   0.007916   0.173954   0.036768
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060761   0.001733  -0.127947
-    0SOL     H2    2  -0.142672  -0.043917  -0.108734
-    0SOL     H3    3  -0.010500  -0.003928  -0.046682
-    1SOL     O4    4   0.063006  -0.001579   0.116541
-    1SOL     H5    5   0.039900  -0.046458   0.197870
-    1SOL     H6    6   0.075571   0.089759   0.142268
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014680  -0.142967   0.004185
-    0SOL     H2    2   0.006219  -0.047711   0.000073
-    0SOL     H3    3   0.103506  -0.157793   0.036626
-    1SOL     O4    4  -0.014724   0.133272  -0.004857
-    1SOL     H5    5  -0.029588   0.179955  -0.087089
-    1SOL     H6    6  -0.078607   0.170645   0.055842
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063606   0.025098  -0.126877
-    0SOL     H2    2   0.026116   0.010550  -0.040014
-    0SOL     H3    3  -0.007479   0.064565  -0.177392
-    1SOL     O4    4  -0.051319  -0.031698   0.123820
-    1SOL     H5    5  -0.145096  -0.047980   0.113661
-    1SOL     H6    6  -0.045548   0.060493   0.148918
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103712  -0.045137   0.094460
-    0SOL     H2    2  -0.043575  -0.022309   0.165345
-    0SOL     H3    3  -0.067174  -0.002061   0.017183
-    1SOL     O4    4   0.091345   0.043915  -0.093007
-    1SOL     H5    5   0.142187  -0.019613  -0.042592
-    1SOL     H6    6   0.149471   0.069860  -0.164495
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039228   0.026579  -0.136413
-    0SOL     H2    2   0.005500  -0.000975  -0.056397
-    0SOL     H3    3   0.030778   0.058925  -0.193116
-    1SOL     O4    4   0.031668  -0.032900   0.132297
-    1SOL     H5    5  -0.027782   0.040467   0.147958
-    1SOL     H6    6   0.115657  -0.003722   0.167748
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112849   0.089215   0.013866
-    0SOL     H2    2   0.059910   0.013115   0.037713
-    0SOL     H3    3   0.152294   0.117783   0.096270
-    1SOL     O4    4  -0.113230  -0.084031  -0.014680
-    1SOL     H5    5  -0.078214  -0.171170  -0.033205
-    1SOL     H6    6  -0.125113  -0.044122  -0.100868
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.081463   0.115072  -0.045482
-    0SOL     H2    2  -0.009495   0.059188  -0.016157
-    0SOL     H3    3  -0.160123   0.073252  -0.010469
-    1SOL     O4    4   0.082422  -0.102520   0.039948
-    1SOL     H5    5   0.057298  -0.142010   0.123445
-    1SOL     H6    6   0.101563  -0.177010  -0.017035
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117076  -0.044917   0.064865
-    0SOL     H2    2   0.098161   0.017612   0.134827
-    0SOL     H3    3   0.196381  -0.011117   0.023262
-    1SOL     O4    4  -0.119645   0.044598  -0.069147
-    1SOL     H5    5  -0.204832   0.006443  -0.047941
-    1SOL     H6    6  -0.056518  -0.023911  -0.047152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123833  -0.061105  -0.007356
-    0SOL     H2    2   0.155616  -0.021858  -0.088669
-    0SOL     H3    3   0.199930  -0.060962   0.050708
-    1SOL     O4    4  -0.135427   0.060111   0.012051
-    1SOL     H5    5  -0.074134  -0.010159   0.033677
-    1SOL     H6    6  -0.100557   0.098450  -0.068426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.048133   0.118087  -0.066889
-    0SOL     H2    2   0.111515   0.068407  -0.118629
-    0SOL     H3    3  -0.030158   0.121674  -0.121842
-    1SOL     O4    4  -0.047767  -0.115693   0.079140
-    1SOL     H5    5  -0.031582  -0.042746   0.019315
-    1SOL     H6    6  -0.054510  -0.192361   0.022228
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.069449  -0.104382  -0.057636
-    0SOL     H2    2  -0.034510  -0.191342  -0.038155
-    0SOL     H3    3  -0.135351  -0.119617  -0.125364
-    1SOL     O4    4   0.072694   0.113322   0.055060
-    1SOL     H5    5   0.100725   0.129497   0.145144
-    1SOL     H6    6   0.013898   0.038053   0.061370
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098299   0.101795   0.040436
-    0SOL     H2    2  -0.190843   0.081656   0.026569
-    0SOL     H3    3  -0.051555   0.027968   0.001359
-    1SOL     O4    4   0.103332  -0.090439  -0.041004
-    1SOL     H5    5   0.125081  -0.114178   0.049139
-    1SOL     H6    6   0.047083  -0.161567  -0.071648
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063500  -0.126650  -0.030584
-    0SOL     H2    2  -0.152794  -0.145802  -0.001912
-    0SOL     H3    3  -0.072501  -0.050488  -0.087861
-    1SOL     O4    4   0.067461   0.129033   0.028816
-    1SOL     H5    5   0.143810   0.102761   0.080225
-    1SOL     H6    6   0.006732   0.055470   0.036729
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.133549  -0.045749   0.053037
-    0SOL     H2    2  -0.158189  -0.107679  -0.015664
-    0SOL     H3    3  -0.045714  -0.016550   0.028650
-    1SOL     O4    4   0.122568   0.044550  -0.049039
-    1SOL     H5    5   0.149236   0.136469  -0.047557
-    1SOL     H6    6   0.201484  -0.003732  -0.024474
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.138963   0.014093  -0.050358
-    0SOL     H2    2   0.132500  -0.080296  -0.035821
-    0SOL     H3    3   0.148826   0.051255   0.037300
-    1SOL     O4    4  -0.145415  -0.011790   0.042952
-    1SOL     H5    5  -0.109605   0.047087   0.109386
-    1SOL     H6    6  -0.069541  -0.060221   0.010397
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051852  -0.033518  -0.128093
-    0SOL     H2    2  -0.141043  -0.038071  -0.093647
-    0SOL     H3    3  -0.049983  -0.098328  -0.198510
-    1SOL     O4    4   0.060359   0.034781   0.135064
-    1SOL     H5    5   0.031424   0.125904   0.130398
-    1SOL     H6    6   0.025983  -0.005429   0.055291
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006192  -0.062156  -0.130064
-    0SOL     H2    2  -0.012144   0.015721  -0.185400
-    0SOL     H3    3   0.080968  -0.097554  -0.147744
-    1SOL     O4    4  -0.000583   0.055999   0.138987
-    1SOL     H5    5   0.005334   0.037183   0.045321
-    1SOL     H6    6   0.032195   0.145518   0.147600
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116411   0.063881  -0.048973
-    0SOL     H2    2   0.117262   0.113302  -0.130943
-    0SOL     H3    3   0.190429   0.098643   0.000779
-    1SOL     O4    4  -0.127852  -0.068495   0.052253
-    1SOL     H5    5  -0.086467  -0.070673  -0.034031
-    1SOL     H6    6  -0.054689  -0.065237   0.113887
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083889   0.055763  -0.104169
-    0SOL     H2    2  -0.053231   0.105686  -0.179866
-    0SOL     H3    3  -0.112048   0.122278  -0.041359
-    1SOL     O4    4   0.082518  -0.063153   0.111442
-    1SOL     H5    5   0.017918  -0.071388   0.041289
-    1SOL     H6    6   0.163287  -0.037702   0.066823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106638  -0.027315   0.096894
-    0SOL     H2    2  -0.133534   0.051993   0.143255
-    0SOL     H3    3  -0.175568  -0.041761   0.032069
-    1SOL     O4    4   0.113224   0.027872  -0.101289
-    1SOL     H5    5   0.126171   0.045936  -0.008185
-    1SOL     H6    6   0.087426  -0.064251  -0.104500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079934  -0.085439  -0.102752
-    0SOL     H2    2  -0.011279  -0.058722  -0.163867
-    0SOL     H3    3  -0.062877  -0.034307  -0.023651
-    1SOL     O4    4   0.074578   0.084071   0.095985
-    1SOL     H5    5   0.141150   0.020632   0.122553
-    1SOL     H6    6   0.016719   0.091355   0.171890
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.145850   0.032086  -0.039769
-    0SOL     H2    2   0.134310   0.118063  -0.080231
-    0SOL     H3    3   0.059033  -0.008051  -0.043521
-    1SOL     O4    4  -0.138327  -0.039601   0.046977
-    1SOL     H5    5  -0.165175  -0.053565  -0.043833
-    1SOL     H6    6  -0.139686   0.055466   0.058057
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015408   0.057355   0.138877
-    0SOL     H2    2  -0.058201   0.140211   0.160461
-    0SOL     H3    3   0.048115   0.080122   0.070989
-    1SOL     O4    4   0.020369  -0.065664  -0.138641
-    1SOL     H5    5  -0.034043   0.010859  -0.157238
-    1SOL     H6    6  -0.029604  -0.115502  -0.073979
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119613  -0.002679   0.093472
-    0SOL     H2    2  -0.093683  -0.018686   0.002732
-    0SOL     H3    3  -0.213317   0.016262   0.088669
-    1SOL     O4    4   0.120090   0.007513  -0.088523
-    1SOL     H5    5   0.202971  -0.003035  -0.041811
-    1SOL     H6    6   0.102051  -0.079026  -0.125236
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025518   0.090194  -0.111473
-    0SOL     H2    2  -0.008364   0.184351  -0.109873
-    0SOL     H3    3  -0.039656   0.069945  -0.203952
-    1SOL     O4    4   0.028742  -0.093812   0.121975
-    1SOL     H5    5  -0.012721  -0.170934   0.083305
-    1SOL     H6    6   0.009983  -0.023030   0.060328
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136481   0.041473  -0.067236
-    0SOL     H2    2  -0.055678   0.001148  -0.035501
-    0SOL     H3    3  -0.138746   0.127264  -0.024841
-    1SOL     O4    4   0.132842  -0.038076   0.063595
-    1SOL     H5    5   0.141180  -0.090638  -0.015967
-    1SOL     H6    6   0.105114  -0.100407   0.130740
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033095  -0.151766  -0.015555
-    0SOL     H2    2  -0.058679  -0.126796  -0.004773
-    0SOL     H3    3   0.073204  -0.132990   0.069304
-    1SOL     O4    4  -0.033673   0.153259   0.006850
-    1SOL     H5    5  -0.016987   0.156970   0.101031
-    1SOL     H6    6   0.015558   0.076890  -0.023255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122811   0.050349   0.081103
-    0SOL     H2    2  -0.063284   0.023454   0.011135
-    0SOL     H3    3  -0.182922  -0.023460   0.091166
-    1SOL     O4    4   0.117373  -0.048519  -0.077119
-    1SOL     H5    5   0.179198  -0.011318  -0.014221
-    1SOL     H6    6   0.153255  -0.025158  -0.162728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.115237  -0.021869   0.089797
-    0SOL     H2    2   0.115422  -0.089554   0.157480
-    0SOL     H3    3   0.171583   0.047169   0.124743
-    1SOL     O4    4  -0.117760   0.020932  -0.102122
-    1SOL     H5    5  -0.064153  -0.019764  -0.034060
-    1SOL     H6    6  -0.183320   0.071445  -0.054033
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076886  -0.075544   0.105779
-    0SOL     H2    2   0.063871  -0.167666   0.083272
-    0SOL     H3    3   0.170092  -0.060036   0.090470
-    1SOL     O4    4  -0.087327   0.078243  -0.104356
-    1SOL     H5    5  -0.044978   0.158519  -0.134763
-    1SOL     H6    6  -0.017896   0.030002  -0.059473
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148374   0.002801   0.039939
-    0SOL     H2    2   0.100862  -0.079664   0.050166
-    0SOL     H3    3   0.174793   0.026461   0.128847
-    1SOL     O4    4  -0.152959  -0.001301  -0.045345
-    1SOL     H5    5  -0.126501   0.073786  -0.098488
-    1SOL     H6    6  -0.071049  -0.035196  -0.009230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098434  -0.096035  -0.074838
-    0SOL     H2    2  -0.173606  -0.131388  -0.027281
-    0SOL     H3    3  -0.041054  -0.061245  -0.006578
-    1SOL     O4    4   0.098113   0.102786   0.066178
-    1SOL     H5    5   0.141920   0.038545   0.010353
-    1SOL     H6    6   0.083517   0.056766   0.148830
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072237   0.106020  -0.089759
-    0SOL     H2    2  -0.041944   0.021836  -0.055735
-    0SOL     H3    3  -0.094849   0.088269  -0.181061
-    1SOL     O4    4   0.067195  -0.102672   0.089903
-    1SOL     H5    5   0.156921  -0.081454   0.064186
-    1SOL     H6    6   0.060666  -0.073223   0.180746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082452   0.126345   0.000816
-    0SOL     H2    2  -0.144711   0.139387   0.072342
-    0SOL     H3    3  -0.136987   0.119791  -0.077576
-    1SOL     O4    4   0.090685  -0.133220  -0.001535
-    1SOL     H5    5   0.031701  -0.082030  -0.056878
-    1SOL     H6    6   0.114468  -0.073769   0.069614
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003292   0.024597  -0.154638
-    0SOL     H2    2   0.029840   0.092969  -0.212861
-    0SOL     H3    3   0.011420   0.058922  -0.066504
-    1SOL     O4    4   0.001818  -0.024227   0.152564
-    1SOL     H5    5   0.058752  -0.096051   0.180173
-    1SOL     H6    6  -0.079641  -0.066979   0.126124
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137618  -0.048954  -0.069458
-    0SOL     H2    2  -0.110660  -0.101796   0.005664
-    0SOL     H3    3  -0.197900   0.015775  -0.032872
-    1SOL     O4    4   0.138160   0.043434   0.065701
-    1SOL     H5    5   0.102504   0.066147  -0.020177
-    1SOL     H6    6   0.199492   0.114154   0.085690
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096462  -0.129200   0.042720
-    0SOL     H2    2  -0.070571  -0.069333  -0.027336
-    0SOL     H3    3  -0.116876  -0.072087   0.116772
-    1SOL     O4    4   0.097556   0.116925  -0.043244
-    1SOL     H5    5   0.039722   0.169434  -0.098564
-    1SOL     H6    6   0.130628   0.178502   0.022153
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.155771   0.045626  -0.038211
-    0SOL     H2    2  -0.064825   0.065601  -0.016027
-    0SOL     H3    3  -0.207387   0.094112   0.026188
-    1SOL     O4    4   0.151428  -0.050128   0.027195
-    1SOL     H5    5   0.237713  -0.031322   0.064122
-    1SOL     H6    6   0.093110  -0.053598   0.103019
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.141905   0.035632  -0.075442
-    0SOL     H2    2   0.111724   0.081309  -0.153960
-    0SOL     H3    3   0.139318  -0.057076  -0.099123
-    1SOL     O4    4  -0.140267  -0.038926   0.083174
-    1SOL     H5    5  -0.082546   0.031327   0.113094
-    1SOL     H6    6  -0.194414   0.001689   0.015492
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046570   0.140805   0.079030
-    0SOL     H2    2   0.118154   0.198695   0.052824
-    0SOL     H3    3   0.080744   0.052504   0.064979
-    1SOL     O4    4  -0.054739  -0.132538  -0.077789
-    1SOL     H5    5   0.028425  -0.165705  -0.043938
-    1SOL     H6    6  -0.106735  -0.211072  -0.094854
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005662  -0.038960  -0.164828
-    0SOL     H2    2   0.019253  -0.089237  -0.087279
-    0SOL     H3    3   0.059716  -0.062443  -0.230680
-    1SOL     O4    4  -0.004781   0.040555   0.169124
-    1SOL     H5    5   0.044365  -0.008579   0.103300
-    1SOL     H6    6   0.027571   0.130292   0.161194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084172   0.113636   0.099787
-    0SOL     H2    2   0.113694   0.109750   0.190758
-    0SOL     H3    3   0.117154   0.032878   0.060383
-    1SOL     O4    4  -0.093690  -0.109783  -0.099588
-    1SOL     H5    5  -0.029855  -0.168264  -0.140422
-    1SOL     H6    6  -0.060006  -0.021825  -0.116647
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.174354   0.028772   0.036408
-    0SOL     H2    2   0.137152  -0.059406   0.034693
-    0SOL     H3    3   0.106663   0.084139  -0.002512
-    1SOL     O4    4  -0.165615  -0.031232  -0.038001
-    1SOL     H5    5  -0.166661  -0.032365   0.057707
-    1SOL     H6    6  -0.214171   0.047811  -0.061598
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.087969   0.143882   0.067682
-    0SOL     H2    2   0.009351   0.125028   0.118927
-    0SOL     H3    3   0.055704   0.158614  -0.021224
-    1SOL     O4    4  -0.080395  -0.149353  -0.062122
-    1SOL     H5    5  -0.136968  -0.139349  -0.138684
-    1SOL     H6    6  -0.046797  -0.061290  -0.045438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076022  -0.126142  -0.103831
-    0SOL     H2    2   0.023331  -0.159853  -0.176285
-    0SOL     H3    3   0.076566  -0.031287  -0.116656
-    1SOL     O4    4  -0.074376   0.128871   0.109576
-    1SOL     H5    5   0.012073   0.088009   0.113964
-    1SOL     H6    6  -0.134149   0.056582   0.090504
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.100723   0.115294   0.104066
-    0SOL     H2    2   0.017893   0.090517   0.145146
-    0SOL     H3    3   0.154817   0.036527   0.109709
-    1SOL     O4    4  -0.101139  -0.110350  -0.113211
-    1SOL     H5    5  -0.034161  -0.153891  -0.060481
-    1SOL     H6    6  -0.130415  -0.037049  -0.059061
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079878   0.119695  -0.100645
-    0SOL     H2    2  -0.161319   0.136785  -0.053341
-    0SOL     H3    3  -0.076309   0.187904  -0.167705
-    1SOL     O4    4   0.078037  -0.125340   0.104006
-    1SOL     H5    5   0.107275  -0.099125   0.016712
-    1SOL     H6    6   0.158922  -0.141832   0.152461
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004971   0.002087  -0.175093
-    0SOL     H2    2  -0.089553  -0.021946  -0.212915
-    0SOL     H3    3   0.057996  -0.012983  -0.245594
-    1SOL     O4    4   0.007407  -0.002971   0.188361
-    1SOL     H5    5  -0.048658  -0.031540   0.116230
-    1SOL     H6    6   0.046547   0.078721   0.157431
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133290   0.027101   0.126101
-    0SOL     H2    2   0.209871   0.084463   0.128780
-    0SOL     H3    3   0.103625   0.030903   0.035174
-    1SOL     O4    4  -0.131899  -0.024957  -0.120259
-    1SOL     H5    5  -0.137284  -0.102884  -0.064936
-    1SOL     H6    6  -0.194613  -0.041175  -0.190731
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025154   0.174038   0.049589
-    0SOL     H2    2   0.021762   0.213304   0.123206
-    0SOL     H3    3  -0.116952   0.174378   0.076707
-    1SOL     O4    4   0.022415  -0.177746  -0.060499
-    1SOL     H5    5   0.047542  -0.231822   0.014380
-    1SOL     H6    6   0.067948  -0.094722  -0.046498
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122448  -0.026369  -0.132277
-    0SOL     H2    2   0.169436  -0.077568  -0.066451
-    0SOL     H3    3   0.163579  -0.050472  -0.215281
-    1SOL     O4    4  -0.132828   0.032299   0.129521
-    1SOL     H5    5  -0.120623  -0.051561   0.174027
-    1SOL     H6    6  -0.051555   0.080169   0.145817
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.166065   0.007169  -0.097536
-    0SOL     H2    2   0.115568   0.025123  -0.018227
-    0SOL     H3    3   0.183428   0.093527  -0.134995
-    1SOL     O4    4  -0.164676  -0.016756   0.090282
-    1SOL     H5    5  -0.174658   0.078241   0.084106
-    1SOL     H6    6  -0.145966  -0.032961   0.182746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125025  -0.025046   0.137602
-    0SOL     H2    2   0.205392  -0.004651   0.089773
-    0SOL     H3    3   0.120539   0.041350   0.206404
-    1SOL     O4    4  -0.129357   0.024563  -0.134707
-    1SOL     H5    5  -0.093254  -0.063654  -0.125954
-    1SOL     H6    6  -0.167242   0.026379  -0.222592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030420   0.160485   0.099420
-    0SOL     H2    2  -0.046376   0.206073   0.064978
-    0SOL     H3    3   0.014198   0.153864   0.193523
-    1SOL     O4    4  -0.029634  -0.159024  -0.104040
-    1SOL     H5    5   0.047097  -0.143294  -0.049019
-    1SOL     H6    6  -0.017772  -0.248161  -0.136848
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091745   0.074602   0.159358
-    0SOL     H2    2  -0.088297   0.109967   0.248239
-    0SOL     H3    3  -0.027523   0.126112   0.110526
-    1SOL     O4    4   0.087513  -0.077839  -0.155020
-    1SOL     H5    5   0.024221  -0.072827  -0.226653
-    1SOL     H6    6   0.170458  -0.099236  -0.197737
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076397   0.052832  -0.178868
-    0SOL     H2    2   0.003007  -0.008214  -0.185905
-    0SOL     H3    3   0.153158   0.000950  -0.202917
-    1SOL     O4    4  -0.082781  -0.045749   0.179603
-    1SOL     H5    5  -0.034182  -0.121155   0.146219
-    1SOL     H6    6  -0.018150   0.004338   0.229367
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.170535   0.100614   0.049846
-    0SOL     H2    2  -0.145417   0.191163   0.031615
-    0SOL     H3    3  -0.165808   0.056824  -0.035139
-    1SOL     O4    4   0.168936  -0.107712  -0.049280
-    1SOL     H5    5   0.234824  -0.042124  -0.026495
-    1SOL     H6    6   0.100935  -0.097560   0.017317
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074869   0.154157  -0.108162
-    0SOL     H2    2  -0.079618   0.226375  -0.045517
-    0SOL     H3    3  -0.005701   0.179806  -0.169156
-    1SOL     O4    4   0.074359  -0.165532   0.108922
-    1SOL     H5    5   0.052054  -0.100024   0.175054
-    1SOL     H6    6   0.038357  -0.130570   0.027412
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.153928   0.147400  -0.039723
-    0SOL     H2    2  -0.090772   0.095523  -0.089547
-    0SOL     H3    3  -0.109943   0.165435   0.043358
-    1SOL     O4    4   0.149380  -0.150981   0.041350
-    1SOL     H5    5   0.214764  -0.091659   0.004361
-    1SOL     H6    6   0.065316  -0.112701   0.016247
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.115401   0.152124   0.105773
-    0SOL     H2    2   0.023397   0.132380   0.123317
-    0SOL     H3    3   0.151271   0.070459   0.071040
-    1SOL     O4    4  -0.117895  -0.145655  -0.102913
-    1SOL     H5    5  -0.048311  -0.194866  -0.059340
-    1SOL     H6    6  -0.079155  -0.117615  -0.185830
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065394   0.046988  -0.196412
-    0SOL     H2    2  -0.097350   0.109378  -0.261593
-    0SOL     H3    3   0.028089   0.066074  -0.188732
-    1SOL     O4    4   0.064245  -0.047191   0.196677
-    1SOL     H5    5   0.104725  -0.128074   0.228008
-    1SOL     H6    6  -0.026987  -0.053498   0.224949
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.178173   0.109902  -0.037333
-    0SOL     H2    2   0.186117   0.205245  -0.034356
-    0SOL     H3    3   0.244981   0.078342   0.023519
-    1SOL     O4    4  -0.179640  -0.110730   0.028902
-    1SOL     H5    5  -0.262203  -0.158905   0.023925
-    1SOL     H6    6  -0.154462  -0.115724   0.121116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.229707  -0.005998  -0.037273
-    0SOL     H2    2   0.178163   0.026215  -0.111219
-    0SOL     H3    3   0.165260  -0.022376   0.031580
-    1SOL     O4    4  -0.227465   0.002612   0.032402
-    1SOL     H5    5  -0.245623   0.036825   0.119936
-    1SOL     H6    6  -0.132168   0.006633   0.024356
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051826   0.151629  -0.159281
-    0SOL     H2    2  -0.147111   0.159324  -0.164174
-    0SOL     H3    3  -0.026573   0.210850  -0.088447
-    1SOL     O4    4   0.060550  -0.151765   0.154568
-    1SOL     H5    5   0.003369  -0.189685   0.087824
-    1SOL     H6    6   0.025321  -0.184050   0.237508
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001612   0.213019  -0.084669
-    0SOL     H2    2   0.034041   0.301982  -0.070656
-    0SOL     H3    3   0.048043   0.160062  -0.019846
-    1SOL     O4    4  -0.006644  -0.210085   0.085377
-    1SOL     H5    5  -0.062618  -0.231302   0.010683
-    1SOL     H6    6   0.065925  -0.272215   0.079399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128173  -0.037939  -0.186404
-    0SOL     H2    2  -0.150114   0.001051  -0.271025
-    0SOL     H3    3  -0.170242   0.019100  -0.122068
-    1SOL     O4    4   0.130055   0.026369   0.185139
-    1SOL     H5    5   0.081284   0.108431   0.178103
-    1SOL     H6    6   0.208641   0.049333   0.234731
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.121802  -0.196524   0.054386
-    0SOL     H2    2   0.169148  -0.180457   0.136010
-    0SOL     H3    3   0.063553  -0.121127   0.045189
-    1SOL     O4    4  -0.127348   0.190846  -0.058874
-    1SOL     H5    5  -0.057540   0.144287  -0.012817
-    1SOL     H6    6  -0.086561   0.272323  -0.088205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153441  -0.199943   0.037488
-    0SOL     H2    2   0.178187  -0.217625  -0.053272
-    0SOL     H3    3   0.057783  -0.203409   0.037391
-    1SOL     O4    4  -0.146387   0.206007  -0.028750
-    1SOL     H5    5  -0.232128   0.199893  -0.070862
-    1SOL     H6    6  -0.103899   0.122560  -0.048591
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027116   0.146643  -0.203489
-    0SOL     H2    2   0.031992   0.238910  -0.228495
-    0SOL     H3    3  -0.065211   0.123738  -0.214145
-    1SOL     O4    4  -0.019258  -0.151936   0.212221
-    1SOL     H5    5  -0.042669  -0.070371   0.167934
-    1SOL     H6    6  -0.039370  -0.220471   0.148497
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019638  -0.221194  -0.137159
-    0SOL     H2    2   0.049363  -0.298751  -0.184737
-    0SOL     H3    3  -0.070321  -0.207760  -0.166979
-    1SOL     O4    4  -0.014290   0.222856   0.146937
-    1SOL     H5    5  -0.074320   0.294560   0.126509
-    1SOL     H6    6   0.010300   0.187100   0.061619
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.167873  -0.202452   0.101045
-    0SOL     H2    2   0.120543  -0.166518   0.176084
-    0SOL     H3    3   0.141229  -0.147523   0.027321
-    1SOL     O4    4  -0.157973   0.199983  -0.100956
-    1SOL     H5    5  -0.214105   0.186376  -0.177287
-    1SOL     H6    6  -0.208274   0.164663  -0.027575
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.175349  -0.234737  -0.033576
-    0SOL     H2    2   0.229247  -0.237945   0.045462
-    0SOL     H3    3   0.135241  -0.147844  -0.031761
-    1SOL     O4    4  -0.172798   0.232179   0.034407
-    1SOL     H5    5  -0.190983   0.282811  -0.044763
-    1SOL     H6    6  -0.212610   0.146709   0.017907
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039873   0.244535   0.148093
-    0SOL     H2    2   0.065304   0.282146   0.063826
-    0SOL     H3    3  -0.015227   0.311500   0.188614
-    1SOL     O4    4  -0.037310  -0.244065  -0.147514
-    1SOL     H5    5   0.023874  -0.297864  -0.097269
-    1SOL     H6    6  -0.112484  -0.301275  -0.162948
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.173454   0.162587  -0.181021
-    0SOL     H2    2   0.156796   0.165371  -0.086803
-    0SOL     H3    3   0.268008   0.175130  -0.189056
-    1SOL     O4    4  -0.174871  -0.168048   0.179666
-    1SOL     H5    5  -0.135836  -0.120484   0.106343
-    1SOL     H6    6  -0.263300  -0.132185   0.187183
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.172739  -0.061312   0.262326
-    0SOL     H2    2  -0.119486  -0.054658   0.341585
-    0SOL     H3    3  -0.159878   0.022374   0.217676
-    1SOL     O4    4   0.169532   0.057925  -0.271218
-    1SOL     H5    5   0.230376   0.004191  -0.220493
-    1SOL     H6    6   0.104784   0.087689  -0.207310
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041996  -0.275168  -0.231717
-    0SOL     H2    2  -0.036879  -0.182476  -0.208388
-    0SOL     H3    3  -0.089858  -0.315532  -0.159314
-    1SOL     O4    4   0.045093   0.266395   0.223748
-    1SOL     H5    5  -0.029617   0.325133   0.212318
-    1SOL     H6    6   0.103975   0.313632   0.282602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041100   0.193628  -0.301437
-    0SOL     H2    2  -0.114798   0.180670  -0.241745
-    0SOL     H3    3  -0.078121   0.242334  -0.375054
-    1SOL     O4    4   0.043824  -0.198571   0.297381
-    1SOL     H5    5   0.125642  -0.227291   0.337920
-    1SOL     H6    6   0.023213  -0.115853   0.340916
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.350134   0.067112  -0.238566
-    0SOL     H2    2  -0.434455   0.111298  -0.248560
-    0SOL     H3    3  -0.290968   0.114880  -0.296702
-    1SOL     O4    4   0.348129  -0.067240   0.239231
-    1SOL     H5    5   0.341039  -0.097185   0.329870
-    1SOL     H6    6   0.416544  -0.122242   0.201067
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.326284  -0.009251  -0.310937
-    0SOL     H2    2   0.281551   0.034939  -0.238767
-    0SOL     H3    3   0.414407  -0.026320  -0.277694
-    1SOL     O4    4  -0.334696   0.009232   0.305534
-    1SOL     H5    5  -0.261301   0.070580   0.308978
-    1SOL     H6    6  -0.293660  -0.076832   0.297085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.489412  -0.030814   0.369242
-    0SOL     H2    2   0.539014   0.050199   0.357461
-    0SOL     H3    3   0.398062  -0.002581   0.373759
-    1SOL     O4    4  -0.483615   0.020706  -0.372998
-    1SOL     H5    5  -0.558420   0.076288  -0.394842
-    1SOL     H6    6  -0.467511   0.037536  -0.280156
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.410761  -0.068435   0.521579
-    0SOL     H2    2  -0.461255  -0.043985   0.444024
-    0SOL     H3    3  -0.355384   0.007642   0.539128
-    1SOL     O4    4   0.405646   0.060719  -0.522387
-    1SOL     H5    5   0.395475   0.085137  -0.430394
-    1SOL     H6    6   0.498866   0.073005  -0.540313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.535188  -0.173581   0.436543
-    0SOL     H2    2  -0.609311  -0.231442   0.454435
-    0SOL     H3    3  -0.466356  -0.203721   0.495840
-    1SOL     O4    4   0.536568   0.178915  -0.435278
-    1SOL     H5    5   0.498727   0.250243  -0.486684
-    1SOL     H6    6   0.549790   0.108210  -0.498431
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/500K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.677144   0.392107   0.152700
-    0SOL     H2    2   0.706994   0.451431   0.221635
-    0SOL     H3    3   0.582055   0.402975   0.151199
-    1SOL     O4    4  -0.680290  -0.394468  -0.158340
-    1SOL     H5    5  -0.654892  -0.436261  -0.076057
-    1SOL     H6    6  -0.597317  -0.372705  -0.200815
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065184   0.090394  -0.054500
-    0SOL     H2    2   0.129938   0.068566   0.012528
-    0SOL     H3    3   0.112774   0.082835  -0.137207
-    1SOL     O4    4  -0.077912  -0.090052   0.055438
-    1SOL     H5    5  -0.032668  -0.042940  -0.014531
-    1SOL     H6    6  -0.008703  -0.113392   0.117306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.049002   0.013658  -0.123269
-    0SOL     H2    2   0.004851   0.008689  -0.038485
-    0SOL     H3    3   0.112015  -0.058380  -0.121771
-    1SOL     O4    4  -0.045091  -0.012720   0.112516
-    1SOL     H5    5  -0.131167   0.025167   0.094687
-    1SOL     H6    6  -0.028830   0.007000   0.204760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013560   0.106989   0.062207
-    0SOL     H2    2  -0.088336   0.143554   0.014944
-    0SOL     H3    3  -0.019416   0.145314   0.149724
-    1SOL     O4    4   0.021735  -0.116316  -0.065301
-    1SOL     H5    5  -0.040170  -0.081391  -0.129412
-    1SOL     H6    6   0.013817  -0.057815   0.010046
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001666   0.044758  -0.129419
-    0SOL     H2    2  -0.000479   0.026675  -0.035430
-    0SOL     H3    3   0.090280   0.040938  -0.155756
-    1SOL     O4    4  -0.006138  -0.043599   0.119552
-    1SOL     H5    5  -0.048804  -0.009328   0.198086
-    1SOL     H6    6   0.079031  -0.074762   0.150171
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074540   0.021866   0.103660
-    0SOL     H2    2  -0.034995  -0.030384   0.173435
-    0SOL     H3    3  -0.142319   0.073219   0.147605
-    1SOL     O4    4   0.078915  -0.023615  -0.115291
-    1SOL     H5    5   0.003504  -0.065653  -0.073960
-    1SOL     H6    6   0.099893   0.049958  -0.057765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094781  -0.074911  -0.050043
-    0SOL     H2    2  -0.124655  -0.080386  -0.140817
-    0SOL     H3    3  -0.078145  -0.165713  -0.024735
-    1SOL     O4    4   0.102296   0.080829   0.052358
-    1SOL     H5    5   0.045205   0.009441   0.023955
-    1SOL     H6    6   0.044801   0.139380   0.101638
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035746  -0.029879   0.123257
-    0SOL     H2    2  -0.065237   0.018108   0.200651
-    0SOL     H3    3  -0.108027  -0.089209   0.102820
-    1SOL     O4    4   0.039501   0.025435  -0.131027
-    1SOL     H5    5   0.003832   0.042591  -0.043873
-    1SOL     H6    6   0.108287   0.091064  -0.142152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059345   0.075489  -0.089172
-    0SOL     H2    2  -0.119873   0.135950  -0.132103
-    0SOL     H3    3  -0.000261   0.047112  -0.158930
-    1SOL     O4    4   0.062122  -0.082548   0.093420
-    1SOL     H5    5   0.036816  -0.070252   0.184911
-    1SOL     H6    6   0.036804  -0.000907   0.050337
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095657   0.092969  -0.013656
-    0SOL     H2    2   0.179947   0.089753   0.031591
-    0SOL     H3    3   0.046366   0.160990   0.032233
-    1SOL     O4    4  -0.098946  -0.103656   0.005902
-    1SOL     H5    5  -0.014993  -0.058623  -0.003388
-    1SOL     H6    6  -0.154678  -0.041191   0.052317
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.105162  -0.080264   0.014380
-    0SOL     H2    2  -0.155496  -0.109299  -0.061685
-    0SOL     H3    3  -0.168890  -0.034649   0.069338
-    1SOL     O4    4   0.112392   0.085033  -0.010083
-    1SOL     H5    5   0.043494   0.019395   0.000264
-    1SOL     H6    6   0.170558   0.048468  -0.076732
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.032347   0.069978   0.117989
-    0SOL     H2    2   0.044403   0.116608   0.151116
-    0SOL     H3    3   0.002111   0.012627   0.049537
-    1SOL     O4    4   0.024556  -0.071756  -0.109842
-    1SOL     H5    5   0.092549  -0.103171  -0.169444
-    1SOL     H6    6  -0.011137   0.005898  -0.152949
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030419  -0.136184   0.033407
-    0SOL     H2    2  -0.033786  -0.042355   0.014777
-    0SOL     H3    3   0.057301  -0.162959   0.006011
-    1SOL     O4    4   0.025819   0.125596  -0.030958
-    1SOL     H5    5   0.061154   0.186324  -0.095964
-    1SOL     H6    6  -0.011313   0.181996   0.036885
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105964   0.030977   0.090446
-    0SOL     H2    2   0.012148   0.034586   0.071792
-    0SOL     H3    3   0.144636   0.095866   0.031657
-    1SOL     O4    4  -0.102725  -0.029699  -0.081357
-    1SOL     H5    5  -0.029301  -0.087983  -0.100703
-    1SOL     H6    6  -0.173316  -0.060315  -0.138294
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051414   0.124703   0.033504
-    0SOL     H2    2   0.082003   0.111900  -0.056288
-    0SOL     H3    3  -0.028991   0.175836   0.024405
-    1SOL     O4    4  -0.054059  -0.127173  -0.026460
-    1SOL     H5    5  -0.006014  -0.187986  -0.082636
-    1SOL     H6    6   0.009242  -0.058378  -0.005903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058952   0.122418  -0.011803
-    0SOL     H2    2   0.012900   0.169974  -0.053492
-    0SOL     H3    3  -0.125147   0.113969  -0.080426
-    1SOL     O4    4   0.057284  -0.127040   0.024354
-    1SOL     H5    5   0.132387  -0.149152  -0.030718
-    1SOL     H6    6   0.007098  -0.064229  -0.027593
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035157   0.055384  -0.122855
-    0SOL     H2    2   0.097820   0.111930  -0.077708
-    0SOL     H3    3  -0.047001   0.104471  -0.121183
-    1SOL     O4    4  -0.034331  -0.058704   0.125338
-    1SOL     H5    5  -0.068707  -0.146458   0.108614
-    1SOL     H6    6   0.002342  -0.030897   0.041409
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058270  -0.131598  -0.004222
-    0SOL     H2    2  -0.025464  -0.149478   0.038571
-    0SOL     H3    3   0.106265  -0.077599   0.058570
-    1SOL     O4    4  -0.055659   0.131590   0.004148
-    1SOL     H5    5  -0.108635   0.172034  -0.064555
-    1SOL     H6    6  -0.015005   0.056014  -0.038253
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009103   0.129016  -0.073172
-    0SOL     H2    2  -0.066325   0.124829   0.003447
-    0SOL     H3    3   0.025442   0.040205  -0.082208
-    1SOL     O4    4   0.011055  -0.117120   0.065704
-    1SOL     H5    5  -0.062112  -0.178722   0.061944
-    1SOL     H6    6   0.073069  -0.157204   0.126612
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126386   0.017254  -0.069657
-    0SOL     H2    2  -0.092002   0.081998  -0.131206
-    0SOL     H3    3  -0.106099   0.053129   0.016736
-    1SOL     O4    4   0.125452  -0.028360   0.072422
-    1SOL     H5    5   0.049116  -0.025485   0.014744
-    1SOL     H6    6   0.166567   0.057463   0.062113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.098660   0.071139   0.064433
-    0SOL     H2    2   0.148557   0.020368   0.128424
-    0SOL     H3    3   0.165225   0.114333   0.010901
-    1SOL     O4    4  -0.111353  -0.067979  -0.067637
-    1SOL     H5    5  -0.044606  -0.018199  -0.020425
-    1SOL     H6    6  -0.076723  -0.157142  -0.071239
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006282  -0.001565   0.152720
-    0SOL     H2    2   0.047846  -0.085216   0.173628
-    0SOL     H3    3  -0.020665  -0.010345   0.061291
-    1SOL     O4    4  -0.004346   0.008693  -0.142941
-    1SOL     H5    5  -0.058966   0.058952  -0.203382
-    1SOL     H6    6   0.003197  -0.077656  -0.183554
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006804  -0.116271   0.087293
-    0SOL     H2    2  -0.093240  -0.157173   0.083030
-    0SOL     H3    3   0.053170  -0.183470   0.054893
-    1SOL     O4    4   0.009455   0.129214  -0.084239
-    1SOL     H5    5  -0.020108   0.087694  -0.165260
-    1SOL     H6    6   0.019399   0.056818  -0.022415
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040103   0.101931   0.098327
-    0SOL     H2    2   0.066736   0.157903   0.025389
-    0SOL     H3    3  -0.028626   0.151540   0.142796
-    1SOL     O4    4  -0.038311  -0.114088  -0.097601
-    1SOL     H5    5  -0.009277  -0.073275  -0.016031
-    1SOL     H6    6  -0.057113  -0.040520  -0.155881
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.133661  -0.040008   0.057275
-    0SOL     H2    2  -0.044943  -0.026373   0.090525
-    0SOL     H3    3  -0.190415  -0.000268   0.123321
-    1SOL     O4    4   0.127086   0.041605  -0.061592
-    1SOL     H5    5   0.220868   0.058964  -0.053474
-    1SOL     H6    6   0.121653  -0.051689  -0.082303
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068252   0.134147  -0.009168
-    0SOL     H2    2   0.019377   0.172661  -0.009587
-    0SOL     H3    3  -0.091743   0.126943  -0.101680
-    1SOL     O4    4   0.060537  -0.138980   0.019507
-    1SOL     H5    5   0.141395  -0.167078  -0.023328
-    1SOL     H6    6   0.040878  -0.053930  -0.019766
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078258  -0.049439  -0.119409
-    0SOL     H2    2  -0.013535  -0.069466  -0.137716
-    0SOL     H3    3   0.098932   0.023700  -0.177595
-    1SOL     O4    4  -0.077414   0.051451   0.118463
-    1SOL     H5    5  -0.087569   0.049140   0.213615
-    1SOL     H6    6  -0.019727  -0.022328   0.098686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100756  -0.014055   0.109987
-    0SOL     H2    2  -0.171189   0.048900   0.094551
-    0SOL     H3    3  -0.143085  -0.099620   0.102974
-    1SOL     O4    4   0.106133   0.017894  -0.114202
-    1SOL     H5    5   0.046483   0.002830  -0.040872
-    1SOL     H6    6   0.192309  -0.006531  -0.080447
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061379  -0.057769   0.134601
-    0SOL     H2    2   0.053625  -0.048052   0.039692
-    0SOL     H3    3   0.052621   0.031267   0.168636
-    1SOL     O4    4  -0.059865   0.053473  -0.125284
-    1SOL     H5    5   0.008880   0.033806  -0.188920
-    1SOL     H6    6  -0.141236   0.047992  -0.175395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.145936  -0.051987   0.024306
-    0SOL     H2    2   0.209986   0.012739  -0.005200
-    0SOL     H3    3   0.072059  -0.041721  -0.035687
-    1SOL     O4    4  -0.143894   0.053161  -0.014190
-    1SOL     H5    5  -0.120243   0.051687  -0.106931
-    1SOL     H6    6  -0.191861  -0.028510  -0.000356
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088433   0.044419  -0.115079
-    0SOL     H2    2  -0.118299   0.127113  -0.152922
-    0SOL     H3    3  -0.152756   0.024548  -0.047034
-    1SOL     O4    4   0.099670  -0.045249   0.113060
-    1SOL     H5    5   0.035195  -0.035294   0.043016
-    1SOL     H6    6   0.052731  -0.091493   0.182491
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050599  -0.003648  -0.148096
-    0SOL     H2    2   0.013263  -0.028826  -0.214804
-    0SOL     H3    3   0.002413   0.024793  -0.073643
-    1SOL     O4    4   0.049705   0.005888   0.143997
-    1SOL     H5    5  -0.036854   0.042491   0.162164
-    1SOL     H6    6   0.051300  -0.076918   0.191985
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079887  -0.089995   0.087514
-    0SOL     H2    2   0.062748  -0.183788   0.079060
-    0SOL     H3    3   0.122352  -0.080953   0.172822
-    1SOL     O4    4  -0.079663   0.099901  -0.096304
-    1SOL     H5    5  -0.161132   0.050024  -0.090193
-    1SOL     H6    6  -0.024164   0.063771  -0.027189
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046506  -0.071578  -0.130814
-    0SOL     H2    2  -0.140047  -0.091843  -0.132133
-    0SOL     H3    3  -0.011140  -0.126042  -0.060492
-    1SOL     O4    4   0.052123   0.081189   0.125686
-    1SOL     H5    5   0.069283   0.020892   0.198019
-    1SOL     H6    6  -0.013154   0.036281   0.071978
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103780   0.021576   0.113942
-    0SOL     H2    2  -0.157444  -0.046853   0.153942
-    0SOL     H3    3  -0.033707   0.037200   0.177251
-    1SOL     O4    4   0.101694  -0.017380  -0.126625
-    1SOL     H5    5   0.035304  -0.019751  -0.057712
-    1SOL     H6    6   0.183801  -0.037070  -0.081535
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056950  -0.040117   0.137916
-    0SOL     H2    2   0.135234  -0.010238   0.184187
-    0SOL     H3    3   0.003138  -0.080994   0.205708
-    1SOL     O4    4  -0.062691   0.043999  -0.142102
-    1SOL     H5    5   0.023294   0.074723  -0.170822
-    1SOL     H6    6  -0.068403  -0.045659  -0.175133
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.055663  -0.029578   0.156220
-    0SOL     H2    2  -0.123042   0.031798   0.126974
-    0SOL     H3    3   0.023199  -0.002954   0.108950
-    1SOL     O4    4   0.060327   0.027544  -0.147766
-    1SOL     H5    5   0.034908  -0.063752  -0.161224
-    1SOL     H6    6   0.002947   0.077274  -0.206048
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122217  -0.020550  -0.106288
-    0SOL     H2    2  -0.175550  -0.094639  -0.077498
-    0SOL     H3    3  -0.060588  -0.058296  -0.169052
-    1SOL     O4    4   0.125434   0.020804   0.107760
-    1SOL     H5    5   0.156268   0.103881   0.143952
-    1SOL     H6    6   0.035850   0.038820   0.079255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026911  -0.051479   0.158397
-    0SOL     H2    2   0.050562  -0.039457   0.066428
-    0SOL     H3    3   0.108184  -0.035478   0.206366
-    1SOL     O4    4  -0.027231   0.050230  -0.154149
-    1SOL     H5    5  -0.073381   0.044356  -0.237803
-    1SOL     H6    6  -0.096434   0.045556  -0.088184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104039   0.111830   0.080221
-    0SOL     H2    2  -0.127877   0.052675   0.008843
-    0SOL     H3    3  -0.035435   0.167487   0.043367
-    1SOL     O4    4   0.100616  -0.106942  -0.077966
-    1SOL     H5    5   0.056539  -0.135812   0.001947
-    1SOL     H6    6   0.170451  -0.171024  -0.091343
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032840   0.101820  -0.135482
-    0SOL     H2    2  -0.029453   0.120164  -0.065160
-    0SOL     H3    3   0.109547   0.154915  -0.114050
-    1SOL     O4    4  -0.029548  -0.100165   0.133182
-    1SOL     H5    5  -0.026625  -0.135074   0.044103
-    1SOL     H6    6  -0.095237  -0.153638   0.177769
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062570  -0.153329  -0.035451
-    0SOL     H2    2  -0.029014  -0.125774  -0.039397
-    0SOL     H3    3   0.064072  -0.238072  -0.079935
-    1SOL     O4    4  -0.061197   0.154772   0.033776
-    1SOL     H5    5  -0.080018   0.222461   0.098786
-    1SOL     H6    6   0.027686   0.125800   0.054339
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080124  -0.138032  -0.052277
-    0SOL     H2    2  -0.152128  -0.085403  -0.087033
-    0SOL     H3    3  -0.121398  -0.219809  -0.024505
-    1SOL     O4    4   0.083383   0.140351   0.058695
-    1SOL     H5    5   0.078914   0.202929  -0.013598
-    1SOL     H6    6   0.139538   0.070013   0.026113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010229  -0.139082  -0.096633
-    0SOL     H2    2   0.044148  -0.223978  -0.068266
-    0SOL     H3    3   0.083310  -0.098368  -0.143149
-    1SOL     O4    4  -0.014113   0.141390   0.103828
-    1SOL     H5    5  -0.023921   0.217193   0.046209
-    1SOL     H6    6  -0.039688   0.066668   0.049746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073666   0.062283   0.151179
-    0SOL     H2    2   0.090896   0.132462   0.088407
-    0SOL     H3    3   0.008817   0.006754   0.107894
-    1SOL     O4    4  -0.074993  -0.061074  -0.150723
-    1SOL     H5    5  -0.100037  -0.077245  -0.059764
-    1SOL     H6    6   0.018361  -0.081972  -0.153990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131346   0.084830  -0.078234
-    0SOL     H2    2   0.198116   0.056678  -0.140776
-    0SOL     H3    3   0.049386   0.081657  -0.127577
-    1SOL     O4    4  -0.130350  -0.078479   0.089004
-    1SOL     H5    5  -0.095734  -0.075631  -0.000192
-    1SOL     H6    6  -0.171164  -0.164765   0.096163
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012814   0.082516  -0.159282
-    0SOL     H2    2  -0.049847   0.149339  -0.131521
-    0SOL     H3    3  -0.036937   0.000759  -0.157529
-    1SOL     O4    4  -0.006797  -0.088179   0.157045
-    1SOL     H5    5   0.064728  -0.030650   0.129900
-    1SOL     H6    6  -0.072061  -0.029176   0.194749
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.162711  -0.041027  -0.064924
-    0SOL     H2    2  -0.121372  -0.099642  -0.128309
-    0SOL     H3    3  -0.140357   0.046908  -0.095422
-    1SOL     O4    4   0.164104   0.045761   0.069147
-    1SOL     H5    5   0.187733  -0.044086   0.092203
-    1SOL     H6    6   0.070222   0.041949   0.050875
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.156224  -0.088733  -0.001972
-    0SOL     H2    2   0.194670  -0.176188  -0.007953
-    0SOL     H3    3   0.073888  -0.095354  -0.050338
-    1SOL     O4    4  -0.157693   0.088459   0.002410
-    1SOL     H5    5  -0.076171   0.123122  -0.033854
-    1SOL     H6    6  -0.173178   0.140841   0.081014
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013850   0.136337  -0.122756
-    0SOL     H2    2  -0.047998   0.195159  -0.190108
-    0SOL     H3    3  -0.019478   0.049176  -0.161919
-    1SOL     O4    4   0.013131  -0.138543   0.124473
-    1SOL     H5    5   0.053207  -0.163659   0.207692
-    1SOL     H6    6   0.027222  -0.044048   0.118602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097056   0.018836   0.164099
-    0SOL     H2    2   0.031596   0.009477   0.094891
-    0SOL     H3    3   0.158476  -0.052991   0.148909
-    1SOL     O4    4  -0.100195  -0.010828  -0.154694
-    1SOL     H5    5  -0.137941  -0.078104  -0.211363
-    1SOL     H6    6  -0.008403  -0.005729  -0.181351
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044749  -0.167128   0.072734
-    0SOL     H2    2  -0.025266  -0.215586   0.152950
-    0SOL     H3    3   0.008185  -0.087644   0.079256
-    1SOL     O4    4   0.041709   0.170163  -0.081639
-    1SOL     H5    5  -0.041240   0.144214  -0.041535
-    1SOL     H6    6   0.106940   0.113216  -0.040843
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012659   0.113222   0.149740
-    0SOL     H2    2   0.004192   0.060652   0.229282
-    0SOL     H3    3   0.101829   0.096434   0.119257
-    1SOL     O4    4  -0.014628  -0.111035  -0.157811
-    1SOL     H5    5  -0.104182  -0.127581  -0.128338
-    1SOL     H6    6   0.023079  -0.055189  -0.089829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.161610   0.079164  -0.049041
-    0SOL     H2    2   0.148940  -0.014857  -0.061761
-    0SOL     H3    3   0.246560   0.097572  -0.089127
-    1SOL     O4    4  -0.162623  -0.074031   0.047307
-    1SOL     H5    5  -0.129996  -0.092206   0.135440
-    1SOL     H6    6  -0.257647  -0.068690   0.057521
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.008193   0.131474   0.126136
-    0SOL     H2    2  -0.005584   0.091397   0.211964
-    0SOL     H3    3   0.033528   0.221711   0.145575
-    1SOL     O4    4  -0.004890  -0.139330  -0.129902
-    1SOL     H5    5  -0.040272  -0.060269  -0.089160
-    1SOL     H6    6  -0.038061  -0.136976  -0.219660
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096954   0.044871  -0.164853
-    0SOL     H2    2  -0.075605  -0.047329  -0.150517
-    0SOL     H3    3  -0.014013   0.090955  -0.152227
-    1SOL     O4    4   0.088387  -0.046305   0.158694
-    1SOL     H5    5   0.110949  -0.067796   0.249201
-    1SOL     H6    6   0.115563   0.044873   0.148190
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076149   0.178813  -0.010285
-    0SOL     H2    2  -0.002646   0.233105  -0.007823
-    0SOL     H3    3   0.061426   0.118437  -0.083088
-    1SOL     O4    4  -0.066484  -0.182818   0.011246
-    1SOL     H5    5  -0.121805  -0.113593  -0.024945
-    1SOL     H6    6  -0.084782  -0.181509   0.105192
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.176829  -0.046096   0.099417
-    0SOL     H2    2  -0.086335  -0.034475   0.070467
-    0SOL     H3    3  -0.201597  -0.132552   0.066639
-    1SOL     O4    4   0.172293   0.044916  -0.092315
-    1SOL     H5    5   0.215750   0.052874  -0.177230
-    1SOL     H6    6   0.145981   0.134290  -0.070353
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120548   0.093903   0.131473
-    0SOL     H2    2  -0.201015   0.137527   0.103467
-    0SOL     H3    3  -0.079268   0.155952   0.191541
-    1SOL     O4    4   0.127280  -0.102168  -0.131207
-    1SOL     H5    5   0.039864  -0.138314  -0.116566
-    1SOL     H6    6   0.113842  -0.031852  -0.194747
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014618   0.205722   0.043670
-    0SOL     H2    2   0.067982   0.182627   0.086169
-    0SOL     H3    3   0.005082   0.203333  -0.049970
-    1SOL     O4    4   0.014132  -0.201452  -0.044573
-    1SOL     H5    5  -0.034380  -0.160592   0.027117
-    1SOL     H6    6  -0.022121  -0.289823  -0.050781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028966  -0.059945   0.208926
-    0SOL     H2    2   0.053130  -0.010981   0.203923
-    0SOL     H3    3  -0.059583  -0.046364   0.298595
-    1SOL     O4    4   0.025588   0.059439  -0.209231
-    1SOL     H5    5   0.017076   0.090187  -0.299477
-    1SOL     H6    6   0.038450  -0.035078  -0.217192
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012775   0.046062  -0.227505
-    0SOL     H2    2   0.046776   0.104688  -0.159909
-    0SOL     H3    3  -0.006777  -0.035323  -0.181067
-    1SOL     O4    4  -0.016984  -0.040957   0.216942
-    1SOL     H5    5   0.077428  -0.048118   0.230996
-    1SOL     H6    6  -0.054816  -0.108516   0.273216
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038149  -0.141059  -0.166498
-    0SOL     H2    2  -0.006589  -0.225407  -0.173290
-    0SOL     H3    3   0.128539  -0.159724  -0.191869
-    1SOL     O4    4  -0.040949   0.148850   0.175195
-    1SOL     H5    5   0.015431   0.082406   0.135587
-    1SOL     H6    6  -0.093883   0.181800   0.102568
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042166  -0.231897  -0.039322
-    0SOL     H2    2   0.018776  -0.141035  -0.020370
-    0SOL     H3    3  -0.023737  -0.260996  -0.102350
-    1SOL     O4    4  -0.033022   0.222764   0.041476
-    1SOL     H5    5  -0.034891   0.294415   0.104918
-    1SOL     H6    6  -0.102959   0.243698  -0.020435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050161   0.067899   0.235780
-    0SOL     H2    2  -0.031087  -0.006639   0.178837
-    0SOL     H3    3  -0.098803   0.128756   0.180168
-    1SOL     O4    4   0.048335  -0.061537  -0.227234
-    1SOL     H5    5   0.122843  -0.062118  -0.287322
-    1SOL     H6    6   0.029885  -0.154046  -0.210987
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.180357   0.113244  -0.131830
-    0SOL     H2    2   0.098950   0.097980  -0.083848
-    0SOL     H3    3   0.158031   0.095552  -0.223213
-    1SOL     O4    4  -0.179645  -0.107034   0.132654
-    1SOL     H5    5  -0.123548  -0.096883   0.209546
-    1SOL     H6    6  -0.151418  -0.189489   0.093072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013931   0.222449   0.122468
-    0SOL     H2    2  -0.071173   0.221604   0.045754
-    0SOL     H3    3   0.021335   0.133582   0.127076
-    1SOL     O4    4   0.019269  -0.218127  -0.123066
-    1SOL     H5    5   0.031768  -0.202437  -0.029472
-    1SOL     H6    6  -0.075696  -0.222671  -0.134166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.171315  -0.180854  -0.038856
-    0SOL     H2    2   0.105066  -0.125304  -0.079936
-    0SOL     H3    3   0.253773  -0.134357  -0.053039
-    1SOL     O4    4  -0.171485   0.176686   0.035207
-    1SOL     H5    5  -0.131960   0.222088   0.109631
-    1SOL     H6    6  -0.221984   0.105532   0.074568
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080241  -0.153929   0.180532
-    0SOL     H2    2   0.107477  -0.228848   0.127545
-    0SOL     H3    3  -0.013411  -0.167503   0.194939
-    1SOL     O4    4  -0.081092   0.158026  -0.173401
-    1SOL     H5    5  -0.030454   0.237757  -0.188926
-    1SOL     H6    6  -0.050434   0.096731  -0.240224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099198  -0.146289  -0.187066
-    0SOL     H2    2  -0.089845  -0.107777  -0.274197
-    0SOL     H3    3  -0.047370  -0.089507  -0.130041
-    1SOL     O4    4   0.094762   0.142089   0.181859
-    1SOL     H5    5   0.176158   0.137905   0.232053
-    1SOL     H6    6   0.026089   0.123548   0.245910
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.161136  -0.032013  -0.197948
-    0SOL     H2    2   0.165455  -0.127361  -0.190710
-    0SOL     H3    3   0.231011  -0.000407  -0.140669
-    1SOL     O4    4  -0.163971   0.038318   0.199059
-    1SOL     H5    5  -0.130052   0.057735   0.111682
-    1SOL     H6    6  -0.222974  -0.035906   0.185951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093613   0.008015   0.245864
-    0SOL     H2    2  -0.027949   0.065169   0.285665
-    0SOL     H3    3  -0.061102  -0.007809   0.157236
-    1SOL     O4    4   0.088487  -0.006100  -0.237844
-    1SOL     H5    5   0.132904  -0.007172  -0.322628
-    1SOL     H6    6   0.030829  -0.082476  -0.239990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127073  -0.008076   0.222096
-    0SOL     H2    2  -0.173962  -0.088670   0.243735
-    0SOL     H3    3  -0.148732   0.052141   0.293280
-    1SOL     O4    4   0.131263   0.003296  -0.224103
-    1SOL     H5    5   0.108141   0.024321  -0.314577
-    1SOL     H6    6   0.141795   0.088424  -0.181622
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118643   0.076133  -0.226769
-    0SOL     H2    2  -0.027358   0.059542  -0.203234
-    0SOL     H3    3  -0.144234  -0.000024  -0.278803
-    1SOL     O4    4   0.111927  -0.069313   0.223307
-    1SOL     H5    5   0.122321  -0.161242   0.247869
-    1SOL     H6    6   0.167903  -0.021623   0.284583
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.198721   0.141066  -0.137379
-    0SOL     H2    2   0.165836   0.230919  -0.134696
-    0SOL     H3    3   0.241281   0.128544  -0.052560
-    1SOL     O4    4  -0.195942  -0.145386   0.137681
-    1SOL     H5    5  -0.264152  -0.207660   0.112549
-    1SOL     H6    6  -0.197058  -0.079324   0.068421
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044038  -0.270458   0.058679
-    0SOL     H2    2   0.075641  -0.325833  -0.012715
-    0SOL     H3    3   0.113964  -0.206506   0.072204
-    1SOL     O4    4  -0.055141   0.268976  -0.060544
-    1SOL     H5    5   0.031058   0.227366  -0.059686
-    1SOL     H6    6  -0.054551   0.326973   0.015603
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084447   0.013539  -0.283207
-    0SOL     H2    2   0.004080   0.034887  -0.330618
-    0SOL     H3    3   0.071454   0.050748  -0.195977
-    1SOL     O4    4  -0.073238  -0.017851   0.278322
-    1SOL     H5    5  -0.138004   0.047573   0.252103
-    1SOL     H6    6  -0.113433  -0.063016   0.352530
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.221420   0.170669  -0.109350
-    0SOL     H2    2   0.205496   0.264773  -0.102059
-    0SOL     H3    3   0.250461   0.144405  -0.022005
-    1SOL     O4    4  -0.226781  -0.176450   0.100296
-    1SOL     H5    5  -0.166702  -0.103710   0.084120
-    1SOL     H6    6  -0.201742  -0.209528   0.186559
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.125475   0.073037   0.283889
-    0SOL     H2    2  -0.193554   0.098749   0.346069
-    0SOL     H3    3  -0.047155   0.061136   0.337617
-    1SOL     O4    4   0.128342  -0.072411  -0.295487
-    1SOL     H5    5   0.151958  -0.066149  -0.202937
-    1SOL     H6    6   0.038366  -0.105068  -0.295138
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.293698   0.173646   0.127311
-    0SOL     H2    2   0.353753   0.245044   0.105905
-    0SOL     H3    3   0.216200   0.217272   0.162710
-    1SOL     O4    4  -0.291716  -0.175747  -0.133140
-    1SOL     H5    5  -0.279501  -0.166989  -0.038608
-    1SOL     H6    6  -0.322234  -0.265671  -0.145165
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.353371  -0.198135  -0.061658
-    0SOL     H2    2   0.387973  -0.121812  -0.107917
-    0SOL     H3    3   0.302165  -0.161362   0.010370
-    1SOL     O4    4  -0.347810   0.197202   0.057418
-    1SOL     H5    5  -0.331095   0.105766   0.080275
-    1SOL     H6    6  -0.439400   0.211539   0.081249
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.151118  -0.365172  -0.165259
-    0SOL     H2    2  -0.230819  -0.319175  -0.138909
-    0SOL     H3    3  -0.170072  -0.397497  -0.253339
-    1SOL     O4    4   0.150266   0.363672   0.168470
-    1SOL     H5    5   0.207712   0.394068   0.238743
-    1SOL     H6    6   0.209218   0.346390   0.095065
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014682   0.254266   0.365149
-    0SOL     H2    2  -0.046379   0.272468   0.293716
-    0SOL     H3    3   0.085035   0.318106   0.353438
-    1SOL     O4    4  -0.012119  -0.258685  -0.353520
-    1SOL     H5    5  -0.090483  -0.214100  -0.385669
-    1SOL     H6    6   0.019563  -0.308739  -0.428708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.143050  -0.334421   0.293298
-    0SOL     H2    2   0.126502  -0.365930   0.204440
-    0SOL     H3    3   0.075783  -0.267952   0.308107
-    1SOL     O4    4  -0.138651   0.326675  -0.286839
-    1SOL     H5    5  -0.210649   0.374470  -0.328001
-    1SOL     H6    6  -0.063588   0.385656  -0.293841
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073425  -0.447718  -0.076589
-    0SOL     H2    2  -0.102815  -0.530786  -0.039195
-    0SOL     H3    3   0.012362  -0.467362  -0.114232
-    1SOL     O4    4   0.072706   0.455985   0.070847
-    1SOL     H5    5   0.076576   0.493763   0.158712
-    1SOL     H6    6   0.022564   0.375170   0.081658
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.391832  -0.314853  -0.133245
-    0SOL     H2    2  -0.394431  -0.224597  -0.165018
-    0SOL     H3    3  -0.330232  -0.359090  -0.191648
-    1SOL     O4    4   0.390945   0.317415   0.136343
-    1SOL     H5    5   0.355656   0.246088   0.083151
-    1SOL     H6    6   0.382854   0.286370   0.226527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.224311  -0.352622  -0.307571
-    0SOL     H2    2   0.227354  -0.311735  -0.394066
-    0SOL     H3    3   0.306536  -0.326809  -0.265918
-    1SOL     O4    4  -0.224558   0.353536   0.310702
-    1SOL     H5    5  -0.307726   0.362207   0.264117
-    1SOL     H6    6  -0.223485   0.262815   0.341213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.360082   0.402883   0.027203
-    0SOL     H2    2   0.416891   0.469933  -0.010736
-    0SOL     H3    3   0.404013   0.320183   0.007375
-    1SOL     O4    4  -0.370192  -0.397725  -0.024905
-    1SOL     H5    5  -0.375739  -0.459700   0.047831
-    1SOL     H6    6  -0.288644  -0.420411  -0.069599
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.332069   0.406871  -0.394781
-    0SOL     H2    2  -0.270390   0.476449  -0.417516
-    0SOL     H3    3  -0.329126   0.346891  -0.469320
-    1SOL     O4    4   0.327818  -0.409259   0.394188
-    1SOL     H5    5   0.367848  -0.329702   0.429268
-    1SOL     H6    6   0.295050  -0.455627   0.471250
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102661  -0.168916  -0.776457
-    0SOL     H2    2  -0.165604  -0.239079  -0.793118
-    0SOL     H3    3  -0.084497  -0.174745  -0.682657
-    1SOL     O4    4   0.100796   0.178225   0.768261
-    1SOL     H5    5   0.103093   0.083590   0.754074
-    1SOL     H6    6   0.166790   0.193979   0.835781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/510K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.919929   0.011485   0.507403
-    0SOL     H2    2   0.970309  -0.039802   0.444205
-    0SOL     H3    3   0.832991  -0.028563   0.506948
-    1SOL     O4    4  -0.920742  -0.001519  -0.500813
-    1SOL     H5    5  -0.869737  -0.074557  -0.465796
-    1SOL     H6    6  -0.923009  -0.016930  -0.595257
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039984   0.120393  -0.016005
-    0SOL     H2    2  -0.020214   0.028713   0.003133
-    0SOL     H3    3  -0.006723   0.168446   0.059803
-    1SOL     O4    4   0.042252  -0.112234   0.012652
-    1SOL     H5    5  -0.005005  -0.169977   0.072610
-    1SOL     H6    6   0.014975  -0.140698  -0.074572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004206   0.119836  -0.030109
-    0SOL     H2    2   0.040867   0.107641   0.057467
-    0SOL     H3    3  -0.008276   0.214415  -0.037944
-    1SOL     O4    4  -0.001510  -0.128224   0.024373
-    1SOL     H5    5  -0.078324  -0.140603   0.080129
-    1SOL     H6    6  -0.004057  -0.035636   0.000219
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108531   0.069783  -0.032808
-    0SOL     H2    2   0.029884   0.100220   0.012475
-    0SOL     H3    3   0.093342  -0.023634  -0.047126
-    1SOL     O4    4  -0.104304  -0.062006   0.037247
-    1SOL     H5    5  -0.113296  -0.038477  -0.055099
-    1SOL     H6    6  -0.078631  -0.154212   0.036130
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026660  -0.023224   0.129843
-    0SOL     H2    2   0.083616  -0.090353   0.092266
-    0SOL     H3    3  -0.016731   0.016461   0.054315
-    1SOL     O4    4  -0.029349   0.026547  -0.117854
-    1SOL     H5    5  -0.065615   0.052265  -0.202623
-    1SOL     H6    6   0.042939  -0.032329  -0.139544
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-    6
-    0SOL     O1    1  -0.000054  -0.117163  -0.045291
-    0SOL     H2    2  -0.007727  -0.104884  -0.139909
-    0SOL     H3    3  -0.079283  -0.164963  -0.020791
-    1SOL     O4    4   0.008738   0.119803   0.056066
-    1SOL     H5    5  -0.033088   0.190053   0.006288
-    1SOL     H6    6  -0.009311   0.040543   0.005524
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.004209  -0.082729  -0.103215
-    0SOL     H2    2  -0.026354  -0.016879  -0.040830
-    0SOL     H3    3  -0.034788  -0.056664  -0.186655
-    1SOL     O4    4  -0.002842   0.081373   0.098919
-    1SOL     H5    5   0.086538   0.049006   0.110138
-    1SOL     H6    6  -0.050263   0.047755   0.174968
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076049   0.033697  -0.099243
-    0SOL     H2    2   0.072960  -0.037166  -0.163517
-    0SOL     H3    3   0.150873   0.012302  -0.043511
-    1SOL     O4    4  -0.081950  -0.024581   0.105243
-    1SOL     H5    5  -0.043825  -0.001019   0.020664
-    1SOL     H6    6  -0.090566  -0.119856   0.101978
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026496   0.108159   0.078097
-    0SOL     H2    2   0.116539   0.109691   0.110536
-    0SOL     H3    3   0.026693   0.040981   0.009910
-    1SOL     O4    4  -0.033120  -0.102659  -0.070785
-    1SOL     H5    5   0.033626  -0.169700  -0.085372
-    1SOL     H6    6  -0.062486  -0.078517  -0.158633
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088915  -0.094432  -0.046013
-    0SOL     H2    2  -0.042043  -0.023153  -0.002600
-    0SOL     H3    3  -0.143142  -0.050928  -0.111809
-    1SOL     O4    4   0.082468   0.088903   0.048082
-    1SOL     H5    5   0.120082   0.041396  -0.026017
-    1SOL     H6    6   0.158049   0.115119   0.100642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013638   0.060724  -0.114731
-    0SOL     H2    2   0.001752   0.145861  -0.073778
-    0SOL     H3    3   0.046451   0.058707  -0.189213
-    1SOL     O4    4   0.013101  -0.063831   0.122723
-    1SOL     H5    5  -0.035967  -0.144238   0.105711
-    1SOL     H6    6   0.000995  -0.011159   0.043720
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039028  -0.130210   0.022797
-    0SOL     H2    2   0.039463  -0.184619   0.016382
-    0SOL     H3    3  -0.007903  -0.041169   0.006510
-    1SOL     O4    4   0.038484   0.123610  -0.020913
-    1SOL     H5    5  -0.000934   0.177922   0.047342
-    1SOL     H6    6  -0.017904   0.136283  -0.097216
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034969   0.119105  -0.052901
-    0SOL     H2    2  -0.008259   0.093371  -0.134335
-    0SOL     H3    3   0.124390   0.086116  -0.061735
-    1SOL     O4    4  -0.044406  -0.118489   0.056393
-    1SOL     H5    5  -0.006808  -0.035071   0.028284
-    1SOL     H6    6   0.020759  -0.155288   0.116072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108905   0.083374   0.017545
-    0SOL     H2    2  -0.021697   0.045747   0.029432
-    0SOL     H3    3  -0.093977   0.162832  -0.033698
-    1SOL     O4    4   0.098508  -0.084166  -0.011834
-    1SOL     H5    5   0.099923  -0.103193  -0.105633
-    1SOL     H6    6   0.188457  -0.099450   0.017114
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042791  -0.123970  -0.031364
-    0SOL     H2    2   0.013222  -0.183991  -0.080581
-    0SOL     H3    3  -0.056327  -0.167393   0.052860
-    1SOL     O4    4   0.042252   0.134497   0.025638
-    1SOL     H5    5   0.011206   0.047753  -0.000321
-    1SOL     H6    6   0.035351   0.134879   0.121108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060859  -0.006990   0.117984
-    0SOL     H2    2   0.156578  -0.007387   0.117698
-    0SOL     H3    3   0.037226   0.016438   0.207733
-    1SOL     O4    4  -0.071000   0.002574  -0.124623
-    1SOL     H5    5  -0.021505   0.067294  -0.174863
-    1SOL     H6    6  -0.017424  -0.013613  -0.046971
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120534  -0.076396  -0.022400
-    0SOL     H2    2   0.052627  -0.013736   0.002593
-    0SOL     H3    3   0.095088  -0.105738  -0.109886
-    1SOL     O4    4  -0.110226   0.070901   0.022529
-    1SOL     H5    5  -0.203410   0.049108   0.020482
-    1SOL     H6    6  -0.105400   0.150735   0.075117
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067969   0.011073   0.124517
-    0SOL     H2    2  -0.058756   0.005385   0.029411
-    0SOL     H3    3  -0.152841   0.053254   0.137927
-    1SOL     O4    4   0.072181  -0.010878  -0.113239
-    1SOL     H5    5   0.124148   0.028988  -0.183041
-    1SOL     H6    6   0.025217  -0.082403  -0.156144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033059   0.132653   0.029203
-    0SOL     H2    2   0.000013   0.141396  -0.060206
-    0SOL     H3    3  -0.031211   0.178707   0.083154
-    1SOL     O4    4  -0.024349  -0.141060  -0.030302
-    1SOL     H5    5   0.015639  -0.060923   0.003483
-    1SOL     H6    6  -0.117740  -0.130853  -0.011968
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071708  -0.124774  -0.031344
-    0SOL     H2    2  -0.085495  -0.139474   0.062230
-    0SOL     H3    3  -0.043209  -0.033594  -0.037370
-    1SOL     O4    4   0.066463   0.119568   0.020736
-    1SOL     H5    5   0.055701   0.155061   0.108978
-    1SOL     H6    6   0.157078   0.088838   0.018116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.114489   0.060984  -0.069050
-    0SOL     H2    2   0.111735  -0.032149  -0.047123
-    0SOL     H3    3   0.027264   0.080113  -0.103520
-    1SOL     O4    4  -0.112820  -0.063591   0.070827
-    1SOL     H5    5  -0.118116  -0.004197  -0.004050
-    1SOL     H6    6  -0.056055  -0.018452   0.133297
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072911  -0.059330   0.113444
-    0SOL     H2    2  -0.036444  -0.023756   0.032407
-    0SOL     H3    3  -0.028148  -0.143124   0.125150
-    1SOL     O4    4   0.062143   0.060630  -0.106210
-    1SOL     H5    5   0.090065   0.146780  -0.137207
-    1SOL     H6    6   0.135961   0.002960  -0.125888
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122249   0.073557   0.033943
-    0SOL     H2    2   0.187223   0.016589   0.075117
-    0SOL     H3    3   0.041079   0.022871   0.036112
-    1SOL     O4    4  -0.117042  -0.064868  -0.032253
-    1SOL     H5    5  -0.165793  -0.146796  -0.023682
-    1SOL     H6    6  -0.143411  -0.030049  -0.117426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028692   0.143747  -0.020591
-    0SOL     H2    2  -0.015602   0.049050  -0.025416
-    0SOL     H3    3  -0.036990   0.162089   0.072988
-    1SOL     O4    4   0.029085  -0.134120   0.018808
-    1SOL     H5    5  -0.026046  -0.210908   0.033856
-    1SOL     H6    6   0.076463  -0.154045  -0.061942
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090290   0.110191  -0.050897
-    0SOL     H2    2   0.078642   0.030845   0.001361
-    0SOL     H3    3   0.002435   0.131176  -0.082574
-    1SOL     O4    4  -0.079010  -0.103082   0.045483
-    1SOL     H5    5  -0.169628  -0.077013   0.061951
-    1SOL     H6    6  -0.067977  -0.184193   0.095098
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133202  -0.008012  -0.056422
-    0SOL     H2    2   0.130653  -0.077724   0.009122
-    0SOL     H3    3   0.118623  -0.052849  -0.139725
-    1SOL     O4    4  -0.134781   0.018051   0.062513
-    1SOL     H5    5  -0.043122  -0.002350   0.043948
-    1SOL     H6    6  -0.182226  -0.011958  -0.015016
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035439  -0.070341  -0.127433
-    0SOL     H2    2  -0.048433  -0.101884  -0.161093
-    0SOL     H3    3   0.015718  -0.039430  -0.039014
-    1SOL     O4    4  -0.035629   0.068390   0.121278
-    1SOL     H5    5   0.006564   0.154272   0.123810
-    1SOL     H6    6   0.026196   0.009973   0.165182
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109584  -0.039824  -0.095521
-    0SOL     H2    2   0.032038  -0.006762  -0.050178
-    0SOL     H3    3   0.108008  -0.134267  -0.080013
-    1SOL     O4    4  -0.099629   0.041849   0.087614
-    1SOL     H5    5  -0.123260  -0.002089   0.169305
-    1SOL     H6    6  -0.165209   0.110857   0.077639
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122620  -0.051923  -0.069217
-    0SOL     H2    2  -0.043622  -0.011147  -0.033737
-    0SOL     H3    3  -0.166497   0.018401  -0.117089
-    1SOL     O4    4   0.121847   0.047016   0.063521
-    1SOL     H5    5   0.064920   0.092763   0.125399
-    1SOL     H6    6   0.150649  -0.031143   0.110679
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105001   0.055007   0.082675
-    0SOL     H2    2   0.148848   0.090053   0.005141
-    0SOL     H3    3   0.071924   0.132254   0.128513
-    1SOL     O4    4  -0.106712  -0.066951  -0.085562
-    1SOL     H5    5  -0.034200  -0.053976  -0.024438
-    1SOL     H6    6  -0.163980   0.008391  -0.071199
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.096706   0.051534   0.087933
-    0SOL     H2    2   0.161210  -0.010102   0.122610
-    0SOL     H3    3   0.107655   0.130265   0.141261
-    1SOL     O4    4  -0.106311  -0.055962  -0.091435
-    1SOL     H5    5  -0.093414  -0.005772  -0.171915
-    1SOL     H6    6  -0.026782  -0.040451  -0.040475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092193   0.095416  -0.057031
-    0SOL     H2    2   0.130812   0.012781  -0.086055
-    0SOL     H3    3   0.167198   0.149885  -0.033164
-    1SOL     O4    4  -0.097898  -0.099468   0.061586
-    1SOL     H5    5  -0.031707  -0.037928   0.030058
-    1SOL     H6    6  -0.179739  -0.068748   0.022591
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029863  -0.022798   0.146591
-    0SOL     H2    2  -0.033359   0.009087   0.056405
-    0SOL     H3    3  -0.112500  -0.069552   0.158736
-    1SOL     O4    4   0.032050   0.020369  -0.136914
-    1SOL     H5    5   0.056811   0.112437  -0.145442
-    1SOL     H6    6   0.047676  -0.016824  -0.223718
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061283  -0.072149  -0.106828
-    0SOL     H2    2  -0.082826  -0.150319  -0.157698
-    0SOL     H3    3  -0.074646   0.000520  -0.167680
-    1SOL     O4    4   0.064433   0.078956   0.114496
-    1SOL     H5    5   0.092411  -0.000392   0.160141
-    1SOL     H6    6   0.014053   0.047067   0.039615
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014694   0.005670   0.153511
-    0SOL     H2    2  -0.063336   0.087399   0.142710
-    0SOL     H3    3  -0.026038  -0.040191   0.070261
-    1SOL     O4    4   0.013835  -0.012949  -0.145458
-    1SOL     H5    5   0.105430   0.000991  -0.121412
-    1SOL     H6    6  -0.004522   0.054921  -0.210412
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036909   0.128362  -0.081103
-    0SOL     H2    2   0.076873   0.106321   0.003035
-    0SOL     H3    3  -0.041330   0.073403  -0.085641
-    1SOL     O4    4  -0.037897  -0.118109   0.078275
-    1SOL     H5    5  -0.079451  -0.198751   0.047741
-    1SOL     H6    6   0.055987  -0.134990   0.070328
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066973  -0.037519  -0.134446
-    0SOL     H2    2  -0.076951   0.053727  -0.161591
-    0SOL     H3    3  -0.014536  -0.033172  -0.054485
-    1SOL     O4    4   0.064640   0.031550   0.124929
-    1SOL     H5    5   0.021000  -0.031440   0.182288
-    1SOL     H6    6   0.101941   0.096476   0.184558
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076872   0.013296  -0.135138
-    0SOL     H2    2   0.018470  -0.024705  -0.069506
-    0SOL     H3    3   0.163973   0.007780  -0.095826
-    1SOL     O4    4  -0.079325  -0.003765   0.127794
-    1SOL     H5    5  -0.011843  -0.042773   0.183354
-    1SOL     H6    6  -0.130599  -0.078258   0.096423
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104097  -0.004096   0.109426
-    0SOL     H2    2  -0.008445  -0.006214   0.106510
-    0SOL     H3    3  -0.126952  -0.056932   0.185900
-    1SOL     O4    4   0.105048   0.005608  -0.108263
-    1SOL     H5    5   0.087081   0.090995  -0.147613
-    1SOL     H6    6   0.047284  -0.054894  -0.154795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024649   0.134032  -0.055698
-    0SOL     H2    2   0.119714   0.143583  -0.061504
-    0SOL     H3    3  -0.005083   0.214853  -0.013909
-    1SOL     O4    4  -0.028908  -0.145438   0.050256
-    1SOL     H5    5  -0.009404  -0.132310   0.143043
-    1SOL     H6    6  -0.035950  -0.056944   0.014458
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148503  -0.015591   0.053569
-    0SOL     H2    2   0.128138   0.073764   0.081195
-    0SOL     H3    3   0.065652  -0.049799   0.019986
-    1SOL     O4    4  -0.140446   0.014491  -0.046809
-    1SOL     H5    5  -0.155477  -0.075859  -0.074618
-    1SOL     H6    6  -0.153523   0.066496  -0.126098
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095419   0.066679  -0.094605
-    0SOL     H2    2   0.095349   0.039924  -0.186510
-    0SOL     H3    3   0.052442   0.152208  -0.094476
-    1SOL     O4    4  -0.098517  -0.073394   0.097015
-    1SOL     H5    5  -0.013572  -0.055749   0.056574
-    1SOL     H6    6  -0.096384  -0.024842   0.179480
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088619   0.041813   0.117906
-    0SOL     H2    2   0.074911  -0.036047   0.063941
-    0SOL     H3    3   0.115239   0.007506   0.203210
-    1SOL     O4    4  -0.083148  -0.038039  -0.120541
-    1SOL     H5    5  -0.150118  -0.086179  -0.071961
-    1SOL     H6    6  -0.126240   0.043379  -0.146550
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125508   0.002900   0.082404
-    0SOL     H2    2   0.206750  -0.041694   0.058460
-    0SOL     H3    3   0.145367   0.095995   0.072342
-    1SOL     O4    4  -0.129784  -0.005171  -0.073938
-    1SOL     H5    5  -0.116808   0.061784  -0.141101
-    1SOL     H6    6  -0.164359  -0.080619  -0.121629
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109329   0.106070  -0.051801
-    0SOL     H2    2   0.164557   0.065545   0.015055
-    0SOL     H3    3   0.025761   0.059872  -0.045130
-    1SOL     O4    4  -0.107611  -0.094541   0.046783
-    1SOL     H5    5  -0.053649  -0.147506   0.105479
-    1SOL     H6    6  -0.163678  -0.157903   0.002015
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045762   0.154387  -0.009109
-    0SOL     H2    2   0.061327   0.150385  -0.103470
-    0SOL     H3    3   0.013231   0.067266   0.013564
-    1SOL     O4    4  -0.039814  -0.145551   0.017085
-    1SOL     H5    5  -0.062628  -0.146484  -0.075871
-    1SOL     H6    6  -0.106181  -0.200605   0.058639
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120589   0.080221  -0.065405
-    0SOL     H2    2  -0.048601   0.019130  -0.049659
-    0SOL     H3    3  -0.103430   0.115542  -0.152699
-    1SOL     O4    4   0.110865  -0.076878   0.069930
-    1SOL     H5    5   0.132399  -0.169429   0.058401
-    1SOL     H6    6   0.195700  -0.032606   0.072237
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075202   0.117509   0.077895
-    0SOL     H2    2  -0.063749   0.070186  -0.004516
-    0SOL     H3    3  -0.156897   0.083209   0.114112
-    1SOL     O4    4   0.078438  -0.112980  -0.080533
-    1SOL     H5    5   0.023606  -0.130188  -0.003985
-    1SOL     H6    6   0.162565  -0.085461  -0.044095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048515  -0.036971  -0.150905
-    0SOL     H2    2   0.020177   0.004846  -0.098991
-    0SOL     H3    3  -0.094310  -0.093690  -0.088872
-    1SOL     O4    4   0.047162   0.042985   0.140721
-    1SOL     H5    5   0.125024   0.007231   0.183400
-    1SOL     H6    6  -0.024509  -0.012830   0.170891
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064258   0.145603  -0.047256
-    0SOL     H2    2  -0.020506   0.071308  -0.005684
-    0SOL     H3    3  -0.057976   0.216213   0.017065
-    1SOL     O4    4   0.063953  -0.138962   0.039744
-    1SOL     H5    5  -0.018597  -0.157165   0.084650
-    1SOL     H6    6   0.100182  -0.225370   0.020164
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040972  -0.157862   0.031258
-    0SOL     H2    2   0.040468  -0.064613   0.009652
-    0SOL     H3    3   0.130281  -0.175106   0.061071
-    1SOL     O4    4  -0.046991   0.147272  -0.028331
-    1SOL     H5    5  -0.018694   0.229826   0.010992
-    1SOL     H6    6  -0.062668   0.168633  -0.120311
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097204   0.095931  -0.091285
-    0SOL     H2    2  -0.030684   0.163171  -0.076580
-    0SOL     H3    3  -0.093827   0.079016  -0.185438
-    1SOL     O4    4   0.094028  -0.104795   0.097704
-    1SOL     H5    5   0.163244  -0.038717   0.099971
-    1SOL     H6    6   0.018835  -0.059486   0.059554
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021674  -0.167960  -0.040523
-    0SOL     H2    2   0.025659  -0.153375  -0.135041
-    0SOL     H3    3   0.015531  -0.080147  -0.002927
-    1SOL     O4    4  -0.017993   0.156766   0.043146
-    1SOL     H5    5   0.009050   0.247471   0.028876
-    1SOL     H6    6  -0.110409   0.162800   0.067338
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122035   0.033242   0.107761
-    0SOL     H2    2  -0.208548   0.044784   0.147062
-    0SOL     H3    3  -0.060723   0.050401   0.179237
-    1SOL     O4    4   0.127282  -0.032360  -0.109360
-    1SOL     H5    5   0.084521  -0.117962  -0.106877
-    1SOL     H6    6   0.089991   0.010875  -0.186187
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010118  -0.003096  -0.175185
-    0SOL     H2    2  -0.065565  -0.061195  -0.182860
-    0SOL     H3    3  -0.008899   0.051101  -0.098612
-    1SOL     O4    4   0.000643   0.007636   0.171259
-    1SOL     H5    5  -0.007905  -0.070812   0.225436
-    1SOL     H6    6  -0.080073   0.010226   0.119873
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038902   0.143808  -0.084230
-    0SOL     H2    2   0.043036   0.137804   0.011212
-    0SOL     H3    3   0.109119   0.204551  -0.107519
-    1SOL     O4    4  -0.042455  -0.140588   0.078682
-    1SOL     H5    5  -0.119079  -0.184479   0.115624
-    1SOL     H6    6   0.023135  -0.209799   0.070313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065529   0.112987  -0.113003
-    0SOL     H2    2   0.026310   0.034930  -0.152134
-    0SOL     H3    3   0.030236   0.185791  -0.164152
-    1SOL     O4    4  -0.065045  -0.109857   0.113912
-    1SOL     H5    5   0.030359  -0.103359   0.118163
-    1SOL     H6    6  -0.088472  -0.167177   0.186905
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.069085  -0.146780  -0.066787
-    0SOL     H2    2  -0.078239  -0.144519   0.028467
-    0SOL     H3    3   0.008976  -0.200007  -0.082137
-    1SOL     O4    4   0.064126   0.150093   0.069024
-    1SOL     H5    5   0.092963   0.071074   0.023344
-    1SOL     H6    6   0.056861   0.216271   0.000249
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.081483   0.013031  -0.157982
-    0SOL     H2    2   0.002811   0.010933  -0.103498
-    0SOL     H3    3   0.076109  -0.066505  -0.210967
-    1SOL     O4    4  -0.076975  -0.002148   0.155609
-    1SOL     H5    5   0.002050  -0.051913   0.176605
-    1SOL     H6    6  -0.148806  -0.063443   0.171275
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106291   0.143702  -0.028434
-    0SOL     H2    2  -0.145393   0.122461  -0.113182
-    0SOL     H3    3  -0.127024   0.068530   0.027079
-    1SOL     O4    4   0.106071  -0.143041   0.033654
-    1SOL     H5    5   0.194543  -0.151640  -0.001859
-    1SOL     H6    6   0.082734  -0.051531   0.018042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038863  -0.032526   0.172370
-    0SOL     H2    2  -0.061086   0.010982   0.254684
-    0SOL     H3    3  -0.099256  -0.106617   0.167320
-    1SOL     O4    4   0.039197   0.030187  -0.178444
-    1SOL     H5    5   0.043975   0.070227  -0.091633
-    1SOL     H6    6   0.112701   0.068255  -0.226510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022398  -0.157898  -0.105795
-    0SOL     H2    2  -0.070508  -0.127919  -0.028665
-    0SOL     H3    3  -0.090433  -0.183778  -0.167955
-    1SOL     O4    4   0.025409   0.151893   0.105518
-    1SOL     H5    5   0.027792   0.213011   0.031889
-    1SOL     H6    6   0.093717   0.183127   0.164854
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018545   0.007506   0.195606
-    0SOL     H2    2  -0.036463  -0.038870   0.132473
-    0SOL     H3    3   0.107921  -0.006241   0.164217
-    1SOL     O4    4  -0.017506  -0.005246  -0.183942
-    1SOL     H5    5   0.000850   0.063477  -0.247994
-    1SOL     H6    6  -0.087170  -0.057319  -0.223912
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016239   0.094930  -0.162054
-    0SOL     H2    2   0.067394   0.151124  -0.220258
-    0SOL     H3    3  -0.002684   0.017058  -0.214400
-    1SOL     O4    4  -0.013849  -0.097694   0.170110
-    1SOL     H5    5  -0.003715  -0.026172   0.107308
-    1SOL     H6    6  -0.100907  -0.084511   0.207653
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044546   0.137385  -0.127585
-    0SOL     H2    2   0.130877   0.160371  -0.093220
-    0SOL     H3    3   0.044061   0.172435  -0.216656
-    1SOL     O4    4  -0.052694  -0.141550   0.136901
-    1SOL     H5    5  -0.100222  -0.151385   0.054398
-    1SOL     H6    6   0.037573  -0.123590   0.110603
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131456  -0.083593  -0.125120
-    0SOL     H2    2   0.059421  -0.022385  -0.140182
-    0SOL     H3    3   0.198485  -0.057809  -0.188403
-    1SOL     O4    4  -0.124864   0.077516   0.125811
-    1SOL     H5    5  -0.166209   0.017681   0.188043
-    1SOL     H6    6  -0.182351   0.154035   0.124276
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124099  -0.044966   0.159089
-    0SOL     H2    2  -0.165641   0.037936   0.182834
-    0SOL     H3    3  -0.038479  -0.042000   0.201783
-    1SOL     O4    4   0.115159   0.038342  -0.163515
-    1SOL     H5    5   0.163703   0.091460  -0.100393
-    1SOL     H6    6   0.181743   0.006953  -0.224700
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082774  -0.072799   0.185842
-    0SOL     H2    2  -0.102223  -0.027612   0.103731
-    0SOL     H3    3  -0.160776  -0.125456   0.203316
-    1SOL     O4    4   0.090789   0.079908  -0.180378
-    1SOL     H5    5   0.130074  -0.002621  -0.151953
-    1SOL     H6    6   0.015270   0.053665  -0.233013
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003350   0.178007  -0.118943
-    0SOL     H2    2  -0.050725   0.106647  -0.161671
-    0SOL     H3    3   0.020216   0.237284  -0.190309
-    1SOL     O4    4   0.006569  -0.182866   0.120828
-    1SOL     H5    5   0.020355  -0.088863   0.109180
-    1SOL     H6    6  -0.041288  -0.190052   0.203413
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054754   0.049538  -0.207116
-    0SOL     H2    2  -0.130352  -0.009165  -0.205985
-    0SOL     H3    3  -0.092167   0.136587  -0.220722
-    1SOL     O4    4   0.056656  -0.052520   0.204047
-    1SOL     H5    5   0.113120   0.024556   0.209829
-    1SOL     H6    6   0.088889  -0.111076   0.272564
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108583  -0.051914  -0.196404
-    0SOL     H2    2   0.021767  -0.058006  -0.156552
-    0SOL     H3    3   0.094571  -0.002150  -0.276961
-    1SOL     O4    4  -0.108099   0.052244   0.195504
-    1SOL     H5    5  -0.062919   0.079453   0.275384
-    1SOL     H6    6  -0.062117  -0.026979   0.167725
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009228  -0.199752  -0.112252
-    0SOL     H2    2  -0.052486  -0.129999  -0.161501
-    0SOL     H3    3  -0.079731  -0.260387  -0.089560
-    1SOL     O4    4   0.011370   0.201735   0.118157
-    1SOL     H5    5   0.066844   0.248411   0.055657
-    1SOL     H6    6   0.023343   0.109272   0.096487
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.158339  -0.154514  -0.078744
-    0SOL     H2    2   0.174180  -0.247682  -0.063540
-    0SOL     H3    3   0.065413  -0.149307  -0.101102
-    1SOL     O4    4  -0.159774   0.155697   0.076989
-    1SOL     H5    5  -0.070952   0.122006   0.088731
-    1SOL     H6    6  -0.153344   0.248579   0.099213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101415   0.063268  -0.229605
-    0SOL     H2    2   0.170384   0.119301  -0.194025
-    0SOL     H3    3   0.028967   0.072123  -0.167676
-    1SOL     O4    4  -0.094872  -0.065816   0.226658
-    1SOL     H5    5  -0.153495  -0.139725   0.242878
-    1SOL     H6    6  -0.147035  -0.004805   0.174514
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039248   0.251068   0.018135
-    0SOL     H2    2   0.102673   0.289612  -0.042313
-    0SOL     H3    3   0.081864   0.255573   0.103726
-    1SOL     O4    4  -0.045307  -0.255974  -0.024965
-    1SOL     H5    5  -0.044168  -0.306193   0.056516
-    1SOL     H6    6  -0.041610  -0.164548   0.003140
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128233   0.185854  -0.150900
-    0SOL     H2    2   0.203318   0.204270  -0.207339
-    0SOL     H3    3   0.136743   0.248003  -0.078599
-    1SOL     O4    4  -0.135227  -0.186207   0.155160
-    1SOL     H5    5  -0.160350  -0.276605   0.136203
-    1SOL     H6    6  -0.070022  -0.164916   0.088396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.141579   0.156221  -0.180272
-    0SOL     H2    2   0.139657   0.093988  -0.107570
-    0SOL     H3    3   0.233394   0.182432  -0.187005
-    1SOL     O4    4  -0.150125  -0.150242   0.171580
-    1SOL     H5    5  -0.093709  -0.225550   0.154025
-    1SOL     H6    6  -0.152816  -0.144012   0.267059
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-    6
-    0SOL     O1    1  -0.150517   0.080697   0.217808
-    0SOL     H2    2  -0.233262   0.126508   0.232537
-    0SOL     H3    3  -0.114467   0.121050   0.138851
-    1SOL     O4    4   0.153203  -0.091056  -0.213365
-    1SOL     H5    5   0.219538  -0.039298  -0.259005
-    1SOL     H6    6   0.087488  -0.027070  -0.185983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002921   0.289117   0.012130
-    0SOL     H2    2   0.043851   0.281242  -0.071013
-    0SOL     H3    3  -0.084609   0.241164  -0.001651
-    1SOL     O4    4   0.002589  -0.290166  -0.002288
-    1SOL     H5    5   0.025062  -0.197516   0.006271
-    1SOL     H6    6   0.018370  -0.310267  -0.094533
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.219424  -0.019377  -0.194116
-    0SOL     H2    2   0.128516  -0.038022  -0.217575
-    0SOL     H3    3   0.230567   0.073722  -0.213371
-    1SOL     O4    4  -0.217711   0.020858   0.195558
-    1SOL     H5    5  -0.251489  -0.051018   0.248992
-    1SOL     H6    6  -0.135173  -0.012274   0.160176
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061109  -0.031503  -0.293040
-    0SOL     H2    2  -0.032587  -0.037936  -0.274548
-    0SOL     H3    3   0.101081  -0.099030  -0.238225
-    1SOL     O4    4  -0.053543   0.033428   0.285038
-    1SOL     H5    5  -0.063712   0.015329   0.378480
-    1SOL     H6    6  -0.127041   0.090874   0.263583
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.091069  -0.191276   0.225738
-    0SOL     H2    2   0.068861  -0.182862   0.133011
-    0SOL     H3    3   0.126340  -0.105617   0.249837
-    1SOL     O4    4  -0.090006   0.180665  -0.224951
-    1SOL     H5    5  -0.139036   0.253452  -0.263166
-    1SOL     H6    6  -0.074290   0.207258  -0.134353
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.191965  -0.043530  -0.264144
-    0SOL     H2    2  -0.179993  -0.138128  -0.255769
-    0SOL     H3    3  -0.150615  -0.007085  -0.185885
-    1SOL     O4    4   0.185951   0.047627   0.264166
-    1SOL     H5    5   0.205356   0.101260   0.187295
-    1SOL     H6    6   0.235563  -0.033048   0.250286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.170785   0.049796  -0.290833
-    0SOL     H2    2   0.195745  -0.017663  -0.227677
-    0SOL     H3    3   0.253326   0.091889  -0.314865
-    1SOL     O4    4  -0.177054  -0.056020   0.288716
-    1SOL     H5    5  -0.112732   0.000709   0.331222
-    1SOL     H6    6  -0.238825   0.004392   0.247520
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.164385   0.072060  -0.296400
-    0SOL     H2    2   0.202719   0.007429  -0.237106
-    0SOL     H3    3   0.237206   0.099793  -0.351991
-    1SOL     O4    4  -0.170626  -0.071778   0.302834
-    1SOL     H5    5  -0.121555  -0.002832   0.258104
-    1SOL     H6    6  -0.230346  -0.105810   0.236218
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035255  -0.374931  -0.105163
-    0SOL     H2    2   0.078038  -0.347716  -0.186349
-    0SOL     H3    3   0.052094  -0.303275  -0.043974
-    1SOL     O4    4  -0.038260   0.366185   0.111632
-    1SOL     H5    5  -0.098022   0.354990   0.037703
-    1SOL     H6    6   0.017818   0.439496   0.086272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.251511   0.155438  -0.291009
-    0SOL     H2    2  -0.313715   0.132860  -0.221848
-    0SOL     H3    3  -0.185879   0.209814  -0.247444
-    1SOL     O4    4   0.249932  -0.160570   0.279163
-    1SOL     H5    5   0.211993  -0.172937   0.366168
-    1SOL     H6    6   0.313405  -0.089823   0.290495
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084581   0.413713  -0.020498
-    0SOL     H2    2  -0.008212   0.425225  -0.040973
-    0SOL     H3    3   0.088626   0.330451   0.026549
-    1SOL     O4    4  -0.084727  -0.415097   0.018582
-    1SOL     H5    5  -0.050375  -0.352351  -0.045020
-    1SOL     H6    6  -0.044386  -0.389666   0.101577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077898  -0.154937   0.459260
-    0SOL     H2    2  -0.114376  -0.133684   0.545167
-    0SOL     H3    3  -0.056400  -0.248053   0.464684
-    1SOL     O4    4   0.078144   0.166048  -0.463893
-    1SOL     H5    5   0.052201   0.101693  -0.397956
-    1SOL     H6    6   0.112145   0.113692  -0.536454
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.486067   0.293715  -0.220548
-    0SOL     H2    2  -0.509565   0.378042  -0.181830
-    0SOL     H3    3  -0.424589   0.315738  -0.290532
-    1SOL     O4    4   0.487025  -0.300229   0.217039
-    1SOL     H5    5   0.512618  -0.243086   0.289441
-    1SOL     H6    6   0.404325  -0.339245   0.245337
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/520K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.809253  -0.450992   0.025162
-    0SOL     H2    2  -0.817382  -0.381734  -0.040409
-    0SOL     H3    3  -0.716920  -0.476066   0.022265
-    1SOL     O4    4   0.802793   0.443306  -0.024852
-    1SOL     H5    5   0.746629   0.519159  -0.008905
-    1SOL     H6    6   0.884883   0.464458   0.019601
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013762   0.078267   0.102944
-    0SOL     H2    2   0.001140   0.015890   0.031886
-    0SOL     H3    3  -0.044129   0.157763   0.059119
-    1SOL     O4    4   0.012067  -0.076875  -0.091734
-    1SOL     H5    5   0.000221  -0.047036  -0.181909
-    1SOL     H6    6   0.072514  -0.150771  -0.098653
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101166   0.068983   0.045883
-    0SOL     H2    2  -0.008628   0.045361   0.052293
-    0SOL     H3    3  -0.105663   0.128254  -0.029144
-    1SOL     O4    4   0.099037  -0.067103  -0.045985
-    1SOL     H5    5   0.005140  -0.085692  -0.046432
-    1SOL     H6    6   0.133126  -0.117492   0.027914
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074713  -0.022497   0.115263
-    0SOL     H2    2  -0.033801  -0.020685   0.028745
-    0SOL     H3    3  -0.043943   0.057414   0.158038
-    1SOL     O4    4   0.065523   0.021167  -0.109210
-    1SOL     H5    5   0.159573   0.024403  -0.091704
-    1SOL     H6    6   0.056678  -0.041056  -0.181407
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109723   0.049547   0.066415
-    0SOL     H2    2   0.171101  -0.021531   0.084936
-    0SOL     H3    3   0.039319   0.008077   0.016557
-    1SOL     O4    4  -0.104017  -0.043491  -0.062004
-    1SOL     H5    5  -0.130921  -0.112312  -0.122851
-    1SOL     H6    6  -0.178985   0.015908  -0.058288
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026855  -0.123428  -0.021769
-    0SOL     H2    2  -0.110967  -0.163740  -0.043274
-    0SOL     H3    3   0.038137  -0.189919  -0.044512
-    1SOL     O4    4   0.023175   0.134610   0.025357
-    1SOL     H5    5   0.010976   0.039676   0.026388
-    1SOL     H6    6   0.115901   0.146670   0.004895
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.102114  -0.021694  -0.095099
-    0SOL     H2    2  -0.161255   0.042540  -0.055873
-    0SOL     H3    3  -0.020265  -0.011793  -0.046469
-    1SOL     O4    4   0.095648   0.020271   0.087060
-    1SOL     H5    5   0.119499  -0.071453   0.073638
-    1SOL     H6    6   0.163258   0.054324   0.145639
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034551   0.133548   0.019197
-    0SOL     H2    2   0.031642   0.202579   0.015266
-    0SOL     H3    3   0.015622   0.052794   0.030328
-    1SOL     O4    4   0.026798  -0.133202  -0.025762
-    1SOL     H5    5  -0.041000  -0.140746   0.041386
-    1SOL     H6    6   0.107030  -0.114826   0.023101
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080070  -0.103924  -0.009318
-    0SOL     H2    2   0.057640  -0.173339   0.052656
-    0SOL     H3    3   0.174843  -0.111415  -0.020473
-    1SOL     O4    4  -0.082980   0.114084   0.002595
-    1SOL     H5    5  -0.163482   0.092881   0.049841
-    1SOL     H6    6  -0.024864   0.039985   0.019746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078656  -0.108125  -0.015948
-    0SOL     H2    2  -0.094848  -0.181080  -0.075763
-    0SOL     H3    3  -0.014207  -0.141922   0.046232
-    1SOL     O4    4   0.081966   0.113075   0.013292
-    1SOL     H5    5   0.003261   0.058849   0.008058
-    1SOL     H6    6   0.056366   0.187313   0.068024
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017403   0.130284  -0.046220
-    0SOL     H2    2  -0.024542   0.212178  -0.019830
-    0SOL     H3    3  -0.011540   0.066413   0.018934
-    1SOL     O4    4  -0.017815  -0.128516   0.039873
-    1SOL     H5    5  -0.005000  -0.218445   0.009693
-    1SOL     H6    6   0.065234  -0.105029   0.081268
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126889   0.041107  -0.013283
-    0SOL     H2    2  -0.148747   0.132330   0.005769
-    0SOL     H3    3  -0.140681   0.032318  -0.107595
-    1SOL     O4    4   0.128121  -0.051706   0.019375
-    1SOL     H5    5   0.069246   0.023675   0.023107
-    1SOL     H6    6   0.211256  -0.015718  -0.011541
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024502   0.081630   0.112854
-    0SOL     H2    2   0.013583   0.167146   0.132828
-    0SOL     H3    3   0.035034   0.043296   0.048447
-    1SOL     O4    4   0.023614  -0.085182  -0.104591
-    1SOL     H5    5  -0.051567  -0.137844  -0.131739
-    1SOL     H6    6   0.029099  -0.015616  -0.170111
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041594   0.128406  -0.008951
-    0SOL     H2    2   0.088759   0.113930  -0.090977
-    0SOL     H3    3   0.025573   0.222752  -0.006808
-    1SOL     O4    4  -0.048472  -0.136534   0.012788
-    1SOL     H5    5   0.027482  -0.138164  -0.045442
-    1SOL     H6    6  -0.027246  -0.069813   0.078057
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033287  -0.108990  -0.081001
-    0SOL     H2    2  -0.049382  -0.193193  -0.123581
-    0SOL     H3    3  -0.032058  -0.129247   0.012543
-    1SOL     O4    4   0.040837   0.113432   0.077880
-    1SOL     H5    5   0.003259   0.182479   0.132494
-    1SOL     H6    6  -0.032019   0.083558   0.023457
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132128  -0.031020   0.059166
-    0SOL     H2    2  -0.134086  -0.058496  -0.032505
-    0SOL     H3    3  -0.059222  -0.079918   0.097323
-    1SOL     O4    4   0.123689   0.035536  -0.061417
-    1SOL     H5    5   0.213502   0.002694  -0.057255
-    1SOL     H6    6   0.105934   0.068111   0.026821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123083   0.063328   0.034723
-    0SOL     H2    2   0.215888   0.040526   0.040171
-    0SOL     H3    3   0.116150   0.146887   0.080898
-    1SOL     O4    4  -0.133786  -0.064591  -0.041398
-    1SOL     H5    5  -0.115646  -0.048806   0.051252
-    1SOL     H6    6  -0.054714  -0.107258  -0.074404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080292   0.019649   0.119473
-    0SOL     H2    2  -0.069259  -0.075294   0.114329
-    0SOL     H3    3  -0.078483   0.038976   0.213203
-    1SOL     O4    4   0.085708  -0.014613  -0.123167
-    1SOL     H5    5   0.052491  -0.044142  -0.207943
-    1SOL     H6    6   0.007140   0.004606  -0.071980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096535  -0.007519  -0.108566
-    0SOL     H2    2  -0.161529  -0.054464  -0.056277
-    0SOL     H3    3  -0.102952  -0.046709  -0.195660
-    1SOL     O4    4   0.095366   0.009084   0.114471
-    1SOL     H5    5   0.076316   0.017078   0.021008
-    1SOL     H6    6   0.186002   0.038631   0.123102
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055604   0.010262  -0.135178
-    0SOL     H2    2  -0.033707   0.021393  -0.167765
-    0SOL     H3    3   0.090669  -0.063008  -0.185816
-    1SOL     O4    4  -0.049599  -0.001859   0.136695
-    1SOL     H5    5  -0.067689  -0.004633   0.230649
-    1SOL     H6    6  -0.086882  -0.083187   0.102666
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092374   0.120728  -0.013262
-    0SOL     H2    2  -0.034458   0.044648  -0.017734
-    0SOL     H3    3  -0.178330   0.086969  -0.038446
-    1SOL     O4    4   0.096359  -0.108918   0.014167
-    1SOL     H5    5   0.067412  -0.164614  -0.058098
-    1SOL     H6    6   0.085562  -0.163302   0.092194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.038426  -0.138296  -0.012157
-    0SOL     H2    2  -0.045377  -0.183831  -0.020274
-    0SOL     H3    3   0.097161  -0.202929   0.027023
-    1SOL     O4    4  -0.039818   0.147618   0.004700
-    1SOL     H5    5  -0.038008   0.055784   0.031637
-    1SOL     H6    6   0.010192   0.193431   0.072246
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001434  -0.127582   0.082157
-    0SOL     H2    2  -0.081953  -0.174432   0.060154
-    0SOL     H3    3   0.043558  -0.116538  -0.001605
-    1SOL     O4    4   0.000793   0.133287  -0.079847
-    1SOL     H5    5   0.068174   0.067376  -0.096513
-    1SOL     H6    6  -0.009685   0.133370   0.015298
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035106  -0.148362   0.023432
-    0SOL     H2    2   0.024127  -0.053300   0.021188
-    0SOL     H3    3   0.127271  -0.162394   0.001727
-    1SOL     O4    4  -0.035405   0.137915  -0.020842
-    1SOL     H5    5  -0.125305   0.148822   0.010164
-    1SOL     H6    6  -0.017322   0.217688  -0.070559
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093850   0.074022   0.085893
-    0SOL     H2    2  -0.152931   0.114853   0.149175
-    0SOL     H3    3  -0.044432   0.147035   0.048620
-    1SOL     O4    4   0.091522  -0.084430  -0.090485
-    1SOL     H5    5   0.127175  -0.000869  -0.120631
-    1SOL     H6    6   0.106590  -0.084248   0.004042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022713  -0.077790  -0.132021
-    0SOL     H2    2   0.023256  -0.057836  -0.038406
-    0SOL     H3    3   0.079435  -0.154420  -0.140555
-    1SOL     O4    4  -0.026512   0.081130   0.120318
-    1SOL     H5    5   0.042461   0.117476   0.175852
-    1SOL     H6    6  -0.089607   0.043710   0.181808
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119792  -0.012190   0.090126
-    0SOL     H2    2  -0.174609  -0.083018   0.123904
-    0SOL     H3    3  -0.045397  -0.008661   0.150253
-    1SOL     O4    4   0.124128   0.016822  -0.091661
-    1SOL     H5    5   0.119403  -0.034581  -0.172270
-    1SOL     H6    6   0.035252   0.050104  -0.079178
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.087901  -0.021693  -0.132683
-    0SOL     H2    2  -0.103659  -0.009877  -0.039011
-    0SOL     H3    3  -0.003456  -0.066521  -0.137346
-    1SOL     O4    4   0.080610   0.018035   0.124198
-    1SOL     H5    5   0.172007   0.044126   0.135519
-    1SOL     H6    6   0.030171   0.091666   0.158792
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006594  -0.069949   0.144782
-    0SOL     H2    2   0.016378  -0.123611   0.066124
-    0SOL     H3    3  -0.061955  -0.006968   0.122493
-    1SOL     O4    4  -0.006408   0.065743  -0.135435
-    1SOL     H5    5   0.078416   0.109317  -0.127161
-    1SOL     H6    6  -0.036469   0.088262  -0.223478
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131662  -0.087448   0.018971
-    0SOL     H2    2   0.103455  -0.171167   0.055818
-    0SOL     H3    3   0.065384  -0.024844   0.048131
-    1SOL     O4    4  -0.122145   0.084610  -0.023921
-    1SOL     H5    5  -0.114780   0.165414   0.026861
-    1SOL     H6    6  -0.215027   0.078702  -0.046286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110980   0.045328  -0.099601
-    0SOL     H2    2   0.038123   0.094855  -0.062167
-    0SOL     H3    3   0.110944   0.068995  -0.192349
-    1SOL     O4    4  -0.109265  -0.047412   0.097694
-    1SOL     H5    5  -0.118755  -0.009787   0.185197
-    1SOL     H6    6  -0.054925  -0.125123   0.110750
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.145618  -0.065030   0.005912
-    0SOL     H2    2   0.196757  -0.051901   0.085754
-    0SOL     H3    3   0.059401  -0.028857   0.026415
-    1SOL     O4    4  -0.144020   0.055378  -0.011345
-    1SOL     H5    5  -0.135932   0.111363  -0.088563
-    1SOL     H6    6  -0.144565   0.116279   0.062501
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044403  -0.025714  -0.151522
-    0SOL     H2    2   0.077951  -0.059356  -0.068426
-    0SOL     H3    3  -0.018786  -0.091590  -0.180327
-    1SOL     O4    4  -0.043449   0.025372   0.151803
-    1SOL     H5    5  -0.030061   0.113102   0.187670
-    1SOL     H6    6  -0.044742   0.038163   0.056950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012120  -0.130477  -0.103510
-    0SOL     H2    2  -0.093530  -0.083218  -0.120870
-    0SOL     H3    3   0.042483  -0.067658  -0.056237
-    1SOL     O4    4   0.011794   0.119049   0.104717
-    1SOL     H5    5   0.099367   0.157330   0.099446
-    1SOL     H6    6  -0.043222   0.177757   0.052862
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016637  -0.067578   0.145369
-    0SOL     H2    2   0.006038  -0.089830   0.052876
-    0SOL     H3    3  -0.007885  -0.147370   0.192212
-    1SOL     O4    4  -0.017203   0.066754  -0.142561
-    1SOL     H5    5   0.072923   0.093246  -0.124183
-    1SOL     H6    6  -0.060607   0.147271  -0.170765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.155058   0.023456  -0.000916
-    0SOL     H2    2  -0.212935  -0.029851  -0.055422
-    0SOL     H3    3  -0.181948   0.113639  -0.018418
-    1SOL     O4    4   0.164390  -0.021278   0.005662
-    1SOL     H5    5   0.131640  -0.082873   0.071205
-    1SOL     H6    6   0.110707  -0.037896  -0.071826
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.105613  -0.081225  -0.084677
-    0SOL     H2    2  -0.154188  -0.069988  -0.166387
-    0SOL     H3    3  -0.032733  -0.138807  -0.107808
-    1SOL     O4    4   0.101102   0.081104   0.096604
-    1SOL     H5    5   0.064341   0.128118   0.021767
-    1SOL     H6    6   0.195140   0.077818   0.079042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071455  -0.139089   0.009677
-    0SOL     H2    2   0.081642  -0.200452   0.082431
-    0SOL     H3    3   0.059809  -0.194818  -0.067270
-    1SOL     O4    4  -0.073877   0.150487  -0.014129
-    1SOL     H5    5  -0.121158   0.115068   0.061186
-    1SOL     H6    6   0.011262   0.106807  -0.011724
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102399   0.095966   0.076587
-    0SOL     H2    2   0.093681   0.187080   0.104597
-    0SOL     H3    3   0.066299   0.045001   0.149124
-    1SOL     O4    4  -0.100550  -0.094641  -0.088812
-    1SOL     H5    5  -0.018064  -0.105253  -0.041422
-    1SOL     H6    6  -0.165024  -0.141121  -0.035472
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035513  -0.136760  -0.073141
-    0SOL     H2    2  -0.001509  -0.189555  -0.143883
-    0SOL     H3    3   0.025591  -0.191069   0.005054
-    1SOL     O4    4  -0.036559   0.147980   0.071566
-    1SOL     H5    5  -0.047097   0.070463   0.126725
-    1SOL     H6    6   0.050315   0.138086   0.032613
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.087148  -0.046295   0.140403
-    0SOL     H2    2   0.093037  -0.024102   0.047478
-    0SOL     H3    3   0.014570  -0.108480   0.145672
-    1SOL     O4    4  -0.079291   0.044373  -0.139123
-    1SOL     H5    5  -0.064902   0.135208  -0.112584
-    1SOL     H6    6  -0.160398   0.019054  -0.095044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068751  -0.059485  -0.144348
-    0SOL     H2    2  -0.015663  -0.060323  -0.099227
-    0SOL     H3    3   0.069162  -0.140080  -0.195987
-    1SOL     O4    4  -0.057764   0.060842   0.144576
-    1SOL     H5    5  -0.078863   0.142019   0.190700
-    1SOL     H6    6  -0.140177   0.034324   0.103745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033057   0.102775   0.139283
-    0SOL     H2    2  -0.105378   0.143294   0.091427
-    0SOL     H3    3   0.025981   0.070851   0.071035
-    1SOL     O4    4   0.032035  -0.109429  -0.131721
-    1SOL     H5    5   0.116298  -0.066951  -0.115668
-    1SOL     H6    6  -0.023430  -0.040022  -0.167337
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024505  -0.159064  -0.040143
-    0SOL     H2    2   0.023262  -0.152139  -0.122803
-    0SOL     H3    3  -0.054801  -0.249824  -0.037464
-    1SOL     O4    4   0.022166   0.167900   0.049194
-    1SOL     H5    5   0.085596   0.096270   0.052071
-    1SOL     H6    6  -0.012748   0.165474  -0.039898
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094929  -0.145589  -0.003796
-    0SOL     H2    2  -0.165027  -0.145904   0.061385
-    0SOL     H3    3  -0.098120  -0.057901  -0.042046
-    1SOL     O4    4   0.094566   0.141146  -0.002730
-    1SOL     H5    5   0.163140   0.203917   0.020064
-    1SOL     H6    6   0.106894   0.068777   0.058695
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045437   0.118992   0.120134
-    0SOL     H2    2   0.021238   0.036717   0.077618
-    0SOL     H3    3   0.088102   0.092290   0.201553
-    1SOL     O4    4  -0.045761  -0.106563  -0.118209
-    1SOL     H5    5   0.007755  -0.185920  -0.119154
-    1SOL     H6    6  -0.112981  -0.122157  -0.184545
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076314  -0.127874  -0.082847
-    0SOL     H2    2   0.134214  -0.076464  -0.139123
-    0SOL     H3    3   0.055705  -0.205822  -0.134438
-    1SOL     O4    4  -0.082373   0.134541   0.089035
-    1SOL     H5    5  -0.049831   0.086371   0.012989
-    1SOL     H6    6  -0.046975   0.087244   0.164350
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.166745   0.031464   0.040316
-    0SOL     H2    2   0.247676   0.051401  -0.006748
-    0SOL     H3    3   0.113530   0.110492   0.031093
-    1SOL     O4    4  -0.170296  -0.039634  -0.042801
-    1SOL     H5    5  -0.111656   0.033142  -0.022128
-    1SOL     H6    6  -0.201651  -0.070121   0.042345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.133384   0.083628  -0.076884
-    0SOL     H2    2  -0.216225   0.051063  -0.041681
-    0SOL     H3    3  -0.110000   0.156639  -0.019569
-    1SOL     O4    4   0.136856  -0.081076   0.076919
-    1SOL     H5    5   0.084058  -0.084156  -0.002864
-    1SOL     H6    6   0.195019  -0.156796   0.070144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077085  -0.045918  -0.166031
-    0SOL     H2    2  -0.003812   0.011470  -0.188390
-    0SOL     H3    3  -0.045014  -0.098288  -0.092607
-    1SOL     O4    4   0.068943   0.050178   0.159353
-    1SOL     H5    5   0.094267  -0.039715   0.138370
-    1SOL     H6    6   0.082529   0.057509   0.253820
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083036  -0.089922  -0.133017
-    0SOL     H2    2   0.130856  -0.167528  -0.162220
-    0SOL     H3    3   0.146828  -0.040322  -0.081708
-    1SOL     O4    4  -0.087389   0.085856   0.133651
-    1SOL     H5    5  -0.141317   0.108499   0.057879
-    1SOL     H6    6  -0.067287   0.169919   0.174781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047131   0.087777  -0.158097
-    0SOL     H2    2   0.050220   0.038253  -0.239951
-    0SOL     H3    3  -0.004864   0.033284  -0.099026
-    1SOL     O4    4  -0.038416  -0.080543   0.157789
-    1SOL     H5    5  -0.082705  -0.165390   0.159113
-    1SOL     H6    6  -0.103771  -0.018840   0.190708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148624  -0.075502  -0.087355
-    0SOL     H2    2   0.237539  -0.093433  -0.056778
-    0SOL     H3    3   0.114957  -0.010027  -0.026184
-    1SOL     O4    4  -0.152536   0.073592   0.075872
-    1SOL     H5    5  -0.215569   0.045672   0.142277
-    1SOL     H6    6  -0.071149   0.087381   0.124331
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115172   0.079023   0.129884
-    0SOL     H2    2  -0.033947   0.087196   0.179863
-    0SOL     H3    3  -0.122407  -0.014532   0.110978
-    1SOL     O4    4   0.115925  -0.070281  -0.133182
-    1SOL     H5    5   0.078125  -0.084821  -0.046452
-    1SOL     H6    6   0.069370  -0.131455  -0.190215
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.117141   0.151703   0.025828
-    0SOL     H2    2   0.056167   0.194093   0.086223
-    0SOL     H3    3   0.065981   0.137362  -0.053792
-    1SOL     O4    4  -0.108557  -0.147717  -0.027641
-    1SOL     H5    5  -0.060353  -0.208787   0.028118
-    1SOL     H6    6  -0.196377  -0.185254  -0.034031
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.184603   0.050872   0.005058
-    0SOL     H2    2  -0.243384   0.109091  -0.043083
-    0SOL     H3    3  -0.213290  -0.037277  -0.018800
-    1SOL     O4    4   0.192580  -0.045044   0.003664
-    1SOL     H5    5   0.168528  -0.137239   0.012821
-    1SOL     H6    6   0.167131  -0.022373  -0.085783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001775  -0.013401   0.207715
-    0SOL     H2    2   0.063869  -0.017266   0.134970
-    0SOL     H3    3  -0.059292  -0.085186   0.190981
-    1SOL     O4    4   0.000613   0.019018  -0.209081
-    1SOL     H5    5  -0.084798  -0.019002  -0.188543
-    1SOL     H6    6   0.042735   0.030806  -0.123939
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.167321  -0.013466  -0.114624
-    0SOL     H2    2   0.184802  -0.097149  -0.157680
-    0SOL     H3    3   0.106396   0.031417  -0.173241
-    1SOL     O4    4  -0.160388   0.019229   0.115766
-    1SOL     H5    5  -0.222394  -0.051012   0.096171
-    1SOL     H6    6  -0.166503   0.030881   0.210577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039666   0.168129  -0.110662
-    0SOL     H2    2  -0.008254   0.094059  -0.147804
-    0SOL     H3    3  -0.018585   0.243061  -0.123093
-    1SOL     O4    4  -0.030486  -0.164098   0.116515
-    1SOL     H5    5  -0.044570  -0.169877   0.022014
-    1SOL     H6    6  -0.069649  -0.244104   0.151553
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051102   0.186430   0.084514
-    0SOL     H2    2  -0.032217   0.229067   0.064454
-    0SOL     H3    3   0.033828   0.093071   0.072345
-    1SOL     O4    4  -0.041953  -0.183742  -0.076878
-    1SOL     H5    5  -0.079574  -0.105068  -0.116342
-    1SOL     H6    6  -0.060915  -0.253487  -0.139635
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048000  -0.130913   0.156263
-    0SOL     H2    2  -0.133437  -0.169214   0.136364
-    0SOL     H3    3   0.004766  -0.148122   0.078276
-    1SOL     O4    4   0.043686   0.130058  -0.148900
-    1SOL     H5    5   0.053019   0.198207  -0.215465
-    1SOL     H6    6   0.128272   0.128504  -0.104122
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030170   0.195029   0.061576
-    0SOL     H2    2   0.037106   0.232709   0.149293
-    0SOL     H3    3  -0.063980   0.187083   0.046246
-    1SOL     O4    4  -0.023471  -0.202194  -0.063545
-    1SOL     H5    5   0.021746  -0.118392  -0.073286
-    1SOL     H6    6  -0.111963  -0.185638  -0.096061
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.147352   0.171988  -0.062483
-    0SOL     H2    2  -0.071324   0.211142  -0.105485
-    0SOL     H3    3  -0.126093   0.078866  -0.056266
-    1SOL     O4    4   0.146767  -0.165636   0.060681
-    1SOL     H5    5   0.138825  -0.170462   0.155949
-    1SOL     H6    6   0.072706  -0.216595   0.027813
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.164471   0.087873   0.138979
-    0SOL     H2    2  -0.222295   0.117895   0.068855
-    0SOL     H3    3  -0.223499   0.066315   0.211182
-    1SOL     O4    4   0.175643  -0.087994  -0.134423
-    1SOL     H5    5   0.115382  -0.019016  -0.162226
-    1SOL     H6    6   0.154684  -0.162375  -0.190908
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.230215  -0.031516  -0.073263
-    0SOL     H2    2  -0.204891  -0.123055  -0.085161
-    0SOL     H3    3  -0.147231   0.016036  -0.069414
-    1SOL     O4    4   0.217707   0.032904   0.073633
-    1SOL     H5    5   0.273213   0.060014   0.000514
-    1SOL     H6    6   0.276789   0.030194   0.148895
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050745   0.166175  -0.169305
-    0SOL     H2    2  -0.101232   0.084942  -0.173101
-    0SOL     H3    3  -0.035037   0.188974  -0.260934
-    1SOL     O4    4   0.051296  -0.168180   0.170923
-    1SOL     H5    5   0.007053  -0.147042   0.253131
-    1SOL     H6    6   0.116253  -0.098715   0.160078
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.250757   0.012757  -0.051163
-    0SOL     H2    2   0.209694   0.062241  -0.122068
-    0SOL     H3    3   0.180520  -0.000820   0.012434
-    1SOL     O4    4  -0.245891  -0.019037   0.046026
-    1SOL     H5    5  -0.276954   0.070569   0.058997
-    1SOL     H6    6  -0.192639  -0.037416   0.123413
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011613   0.102703  -0.231146
-    0SOL     H2    2   0.012010   0.129617  -0.142378
-    0SOL     H3    3   0.054891   0.143023  -0.286948
-    1SOL     O4    4   0.005305  -0.100329   0.227810
-    1SOL     H5    5   0.026365  -0.145123   0.309739
-    1SOL     H6    6   0.003870  -0.169912   0.162096
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050254   0.037830   0.252653
-    0SOL     H2    2  -0.015451   0.026372   0.321311
-    0SOL     H3    3   0.106257  -0.039459   0.259891
-    1SOL     O4    4  -0.046860  -0.035093  -0.262175
-    1SOL     H5    5  -0.067609  -0.097226  -0.192380
-    1SOL     H6    6  -0.077112   0.049393  -0.228869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033979   0.250361  -0.093166
-    0SOL     H2    2  -0.044814   0.165527  -0.050178
-    0SOL     H3    3   0.012657   0.230356  -0.174328
-    1SOL     O4    4   0.035135  -0.250810   0.091189
-    1SOL     H5    5   0.063742  -0.215657   0.175499
-    1SOL     H6    6  -0.038004  -0.194716   0.065371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.210475   0.122253   0.129098
-    0SOL     H2    2  -0.300341   0.135856   0.099077
-    0SOL     H3    3  -0.217098   0.051738   0.193489
-    1SOL     O4    4   0.220288  -0.118805  -0.126028
-    1SOL     H5    5   0.218975  -0.064211  -0.204641
-    1SOL     H6    6   0.143818  -0.175671  -0.135022
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.182688   0.051556  -0.239349
-    0SOL     H2    2   0.240238  -0.014011  -0.199962
-    0SOL     H3    3   0.219872   0.135498  -0.212265
-    1SOL     O4    4  -0.183879  -0.055346   0.230715
-    1SOL     H5    5  -0.195089   0.036295   0.255983
-    1SOL     H6    6  -0.243140  -0.103563   0.288383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.157089  -0.195372   0.205431
-    0SOL     H2    2  -0.226299  -0.136235   0.175848
-    0SOL     H3    3  -0.083776  -0.177942   0.146408
-    1SOL     O4    4   0.154898   0.187386  -0.205294
-    1SOL     H5    5   0.172488   0.281462  -0.203665
-    1SOL     H6    6   0.168840   0.158797  -0.115014
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.280589  -0.006974  -0.156799
-    0SOL     H2    2  -0.200029   0.032905  -0.189694
-    0SOL     H3    3  -0.278164  -0.096763  -0.189880
-    1SOL     O4    4   0.274729   0.004444   0.165134
-    1SOL     H5    5   0.355701   0.053827   0.152199
-    1SOL     H6    6   0.214801   0.038838   0.098892
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056784   0.084195  -0.311419
-    0SOL     H2    2   0.127403   0.023712  -0.288679
-    0SOL     H3    3   0.081452   0.166695  -0.269617
-    1SOL     O4    4  -0.058724  -0.088004   0.311280
-    1SOL     H5    5  -0.146396  -0.053859   0.328888
-    1SOL     H6    6  -0.048745  -0.080708   0.216361
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.321849   0.025927   0.003142
-    0SOL     H2    2   0.303182   0.073521  -0.077782
-    0SOL     H3    3   0.417410   0.022454   0.007442
-    1SOL     O4    4  -0.329557  -0.023712  -0.000992
-    1SOL     H5    5  -0.264492  -0.021608   0.069182
-    1SOL     H6    6  -0.340023  -0.116680  -0.021236
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.293391  -0.121829  -0.088504
-    0SOL     H2    2  -0.291198  -0.217198  -0.080618
-    0SOL     H3    3  -0.384510  -0.098381  -0.070902
-    1SOL     O4    4   0.298993   0.124488   0.081772
-    1SOL     H5    5   0.222092   0.118422   0.138445
-    1SOL     H6    6   0.365212   0.167700   0.135717
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.008117  -0.349797   0.086612
-    0SOL     H2    2   0.028792  -0.408667   0.020776
-    0SOL     H3    3  -0.032460  -0.271251   0.037620
-    1SOL     O4    4   0.010660   0.354051  -0.078873
-    1SOL     H5    5  -0.034966   0.293935  -0.019994
-    1SOL     H6    6  -0.001599   0.316269  -0.165962
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.336838   0.064264   0.119286
-    0SOL     H2    2   0.302817   0.137244   0.067529
-    0SOL     H3    3   0.393362   0.016231   0.058786
-    1SOL     O4    4  -0.340791  -0.066700  -0.106732
-    1SOL     H5    5  -0.388899  -0.049809  -0.187742
-    1SOL     H6    6  -0.248700  -0.065483  -0.132811
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.249467  -0.268193   0.073695
-    0SOL     H2    2   0.159517  -0.285569   0.101435
-    0SOL     H3    3   0.287170  -0.354908   0.058823
-    1SOL     O4    4  -0.242756   0.274371  -0.078781
-    1SOL     H5    5  -0.219838   0.248316   0.010428
-    1SOL     H6    6  -0.338236   0.281100  -0.078038
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.377729  -0.143801   0.110063
-    0SOL     H2    2  -0.287009  -0.169556   0.093664
-    0SOL     H3    3  -0.429188  -0.197501   0.049808
-    1SOL     O4    4   0.378607   0.143044  -0.102629
-    1SOL     H5    5   0.350912   0.223737  -0.059224
-    1SOL     H6    6   0.352796   0.154888  -0.194040
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.232524   0.372108  -0.205818
-    0SOL     H2    2   0.167499   0.441561  -0.195309
-    0SOL     H3    3   0.276298   0.367158  -0.120837
-    1SOL     O4    4  -0.232692  -0.371170   0.195016
-    1SOL     H5    5  -0.289099  -0.438476   0.233101
-    1SOL     H6    6  -0.148900  -0.381776   0.240057
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.356225   0.256402   0.232550
-    0SOL     H2    2  -0.402701   0.340056   0.234639
-    0SOL     H3    3  -0.421855   0.193212   0.203188
-    1SOL     O4    4   0.366487  -0.261072  -0.227624
-    1SOL     H5    5   0.272790  -0.251263  -0.210685
-    1SOL     H6    6   0.383032  -0.205585  -0.303846
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037578   0.487414   0.096266
-    0SOL     H2    2  -0.086263   0.465581   0.175736
-    0SOL     H3    3   0.009298   0.567936   0.118200
-    1SOL     O4    4   0.034214  -0.487519  -0.105681
-    1SOL     H5    5   0.069288  -0.575997  -0.115870
-    1SOL     H6    6   0.064342  -0.459568  -0.019233
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.368808   0.097341  -0.348102
-    0SOL     H2    2  -0.362304   0.105276  -0.252933
-    0SOL     H3    3  -0.389435   0.185831  -0.378207
-    1SOL     O4    4   0.366336  -0.099418   0.348828
-    1SOL     H5    5   0.328117  -0.146356   0.274677
-    1SOL     H6    6   0.460579  -0.113897   0.340399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.443511   0.097646  -0.249366
-    0SOL     H2    2   0.536489   0.119638  -0.243550
-    0SOL     H3    3   0.409793   0.112375  -0.161000
-    1SOL     O4    4  -0.447279  -0.101752   0.239057
-    1SOL     H5    5  -0.392112  -0.028060   0.265294
-    1SOL     H6    6  -0.487457  -0.131861   0.320553
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.325848  -0.405729  -0.066361
-    0SOL     H2    2  -0.381626  -0.386742   0.009075
-    0SOL     H3    3  -0.386600  -0.434583  -0.134471
-    1SOL     O4    4   0.327705   0.403933   0.066370
-    1SOL     H5    5   0.409661   0.372689   0.104701
-    1SOL     H6    6   0.351394   0.485542   0.022312
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.327390   0.435000  -0.111179
-    0SOL     H2    2   0.285051   0.365168  -0.061247
-    0SOL     H3    3   0.271386   0.447015  -0.187870
-    1SOL     O4    4  -0.327487  -0.429444   0.111640
-    1SOL     H5    5  -0.253243  -0.388472   0.156041
-    1SOL     H6    6  -0.296709  -0.517350   0.089556
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.541944  -0.031723  -0.196601
-    0SOL     H2    2   0.517848   0.040452  -0.254674
-    0SOL     H3    3   0.538650   0.006063  -0.108716
-    1SOL     O4    4  -0.539743   0.026565   0.201754
-    1SOL     H5    5  -0.476136  -0.012342   0.141732
-    1SOL     H6    6  -0.616387   0.044388   0.147253
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.650277  -0.020654   0.244243
-    0SOL     H2    2  -0.566429   0.008620   0.279948
-    0SOL     H3    3  -0.660873  -0.109678   0.277779
-    1SOL     O4    4   0.648445   0.024319  -0.241021
-    1SOL     H5    5   0.703351  -0.007338  -0.312753
-    1SOL     H6    6   0.563724   0.042302  -0.281781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/530K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.355539   0.323285   0.556439
-    0SOL     H2    2  -0.339818   0.241970   0.508448
-    0SOL     H3    3  -0.268094   0.355822   0.577820
-    1SOL     O4    4   0.353788  -0.325746  -0.554553
-    1SOL     H5    5   0.385406  -0.236369  -0.541351
-    1SOL     H6    6   0.259616  -0.316046  -0.568686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068705  -0.047309   0.087318
-    0SOL     H2    2  -0.134131  -0.097943   0.135463
-    0SOL     H3    3   0.009675  -0.051101   0.142130
-    1SOL     O4    4   0.073922   0.049003  -0.097182
-    1SOL     H5    5   0.034054  -0.004216  -0.028329
-    1SOL     H6    6   0.018101   0.126549  -0.102929
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052216   0.069367   0.101953
-    0SOL     H2    2  -0.052860   0.019949   0.019979
-    0SOL     H3    3  -0.113874   0.141087   0.087223
-    1SOL     O4    4   0.056089  -0.069906  -0.089017
-    1SOL     H5    5   0.015250  -0.141099  -0.138272
-    1SOL     H6    6   0.093568  -0.012765  -0.156044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084091   0.054708  -0.092068
-    0SOL     H2    2   0.023452   0.025393  -0.024054
-    0SOL     H3    3   0.041432   0.030562  -0.174284
-    1SOL     O4    4  -0.074281  -0.045959   0.092925
-    1SOL     H5    5  -0.159603  -0.055685   0.050642
-    1SOL     H6    6  -0.056903  -0.131643   0.131895
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055413   0.124168   0.011899
-    0SOL     H2    2   0.120238   0.123545  -0.058526
-    0SOL     H3    3   0.035098   0.031797   0.026635
-    1SOL     O4    4  -0.056759  -0.116484  -0.002655
-    1SOL     H5    5  -0.004640  -0.184560  -0.045216
-    1SOL     H6    6  -0.125289  -0.095532  -0.066113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006652   0.058164   0.113158
-    0SOL     H2    2   0.067089   0.048849   0.173472
-    0SOL     H3    3  -0.044883   0.143171   0.134941
-    1SOL     O4    4   0.009082  -0.062500  -0.123671
-    1SOL     H5    5  -0.075796  -0.106327  -0.117581
-    1SOL     H6    6   0.020703  -0.020733  -0.038331
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.005696   0.130852  -0.013338
-    0SOL     H2    2   0.027146   0.166458  -0.095896
-    0SOL     H3    3   0.053512   0.165955   0.053179
-    1SOL     O4    4   0.006627  -0.136402   0.011167
-    1SOL     H5    5  -0.061225  -0.188241   0.054425
-    1SOL     H6    6  -0.022041  -0.045696   0.021795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016651  -0.028063  -0.130563
-    0SOL     H2    2   0.027555   0.020306  -0.212440
-    0SOL     H3    3   0.065787   0.022698  -0.065977
-    1SOL     O4    4  -0.022454   0.016912   0.126757
-    1SOL     H5    5  -0.029267   0.112000   0.118147
-    1SOL     H6    6   0.020742   0.003487   0.211115
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061649   0.114782  -0.010302
-    0SOL     H2    2  -0.061416   0.134942  -0.103874
-    0SOL     H3    3  -0.150508   0.135650   0.018523
-    1SOL     O4    4   0.070284  -0.120508   0.019434
-    1SOL     H5    5   0.085724  -0.133798  -0.074093
-    1SOL     H6    6   0.004178  -0.051387   0.023261
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040256   0.079257  -0.111997
-    0SOL     H2    2  -0.111723   0.016236  -0.102883
-    0SOL     H3    3   0.000364   0.082173  -0.025372
-    1SOL     O4    4   0.037386  -0.072807   0.109289
-    1SOL     H5    5   0.126506  -0.039737   0.098049
-    1SOL     H6    6   0.033885  -0.151378   0.054730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099663   0.055904   0.064524
-    0SOL     H2    2   0.193531   0.061045   0.046506
-    0SOL     H3    3   0.083646   0.125372   0.128397
-    1SOL     O4    4  -0.106899  -0.056988  -0.072043
-    1SOL     H5    5  -0.014381  -0.045508  -0.050344
-    1SOL     H6    6  -0.139669  -0.117962  -0.005932
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074825  -0.085371  -0.072164
-    0SOL     H2    2  -0.061418  -0.159756  -0.130895
-    0SOL     H3    3  -0.112792  -0.017383  -0.127827
-    1SOL     O4    4   0.082240   0.086849   0.080737
-    1SOL     H5    5   0.020311   0.155779   0.056742
-    1SOL     H6    6   0.036263   0.005287   0.060834
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057267  -0.064541  -0.109764
-    0SOL     H2    2  -0.010643  -0.002848  -0.082478
-    0SOL     H3    3   0.059726  -0.056884  -0.205145
-    1SOL     O4    4  -0.050201   0.063707   0.108797
-    1SOL     H5    5  -0.016655   0.020966   0.187602
-    1SOL     H6    6  -0.144683   0.048641   0.111695
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125174   0.010948   0.069516
-    0SOL     H2    2   0.189720   0.015412  -0.001026
-    0SOL     H3    3   0.041398  -0.000655   0.024691
-    1SOL     O4    4  -0.119028  -0.005752  -0.058599
-    1SOL     H5    5  -0.110499  -0.036940  -0.148693
-    1SOL     H6    6  -0.199149  -0.047051  -0.026391
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001884  -0.138176   0.003581
-    0SOL     H2    2  -0.086093  -0.179017   0.023658
-    0SOL     H3    3   0.014555  -0.160825  -0.087957
-    1SOL     O4    4   0.007360   0.146341   0.006033
-    1SOL     H5    5  -0.023926   0.173809  -0.080158
-    1SOL     H6    6   0.013961   0.051045  -0.000080
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078211   0.048007  -0.115694
-    0SOL     H2    2   0.013185   0.041169  -0.045786
-    0SOL     H3    3   0.161352   0.060661  -0.069982
-    1SOL     O4    4  -0.079727  -0.042609   0.105074
-    1SOL     H5    5  -0.064997  -0.133377   0.078497
-    1SOL     H6    6  -0.087196  -0.046432   0.200426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017105   0.070771  -0.130146
-    0SOL     H2    2  -0.045387   0.133036  -0.092997
-    0SOL     H3    3   0.013283  -0.004877  -0.071621
-    1SOL     O4    4  -0.014781  -0.066722   0.118301
-    1SOL     H5    5   0.056857  -0.128184   0.134194
-    1SOL     H6    6  -0.059076  -0.059121   0.202814
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.023697   0.092975   0.111959
-    0SOL     H2    2   0.071352   0.085545   0.120489
-    0SOL     H3    3  -0.055241   0.002671   0.115485
-    1SOL     O4    4   0.024767  -0.088505  -0.117115
-    1SOL     H5    5   0.021909  -0.016533  -0.054074
-    1SOL     H6    6  -0.056774  -0.136461  -0.102501
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009273  -0.062205   0.134553
-    0SOL     H2    2   0.096332  -0.101824   0.130892
-    0SOL     H3    3   0.004206  -0.008079   0.055769
-    1SOL     O4    4  -0.015224   0.061106  -0.123085
-    1SOL     H5    5  -0.023815  -0.011391  -0.184994
-    1SOL     H6    6   0.011755   0.135537  -0.176884
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091624   0.106051  -0.030542
-    0SOL     H2    2  -0.080219   0.032436  -0.090651
-    0SOL     H3    3  -0.184863   0.127065  -0.035753
-    1SOL     O4    4   0.100528  -0.102611   0.028837
-    1SOL     H5    5   0.048439  -0.178843   0.054092
-    1SOL     H6    6   0.081230  -0.037079   0.095885
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140269   0.044685  -0.031952
-    0SOL     H2    2   0.141236   0.130476   0.010491
-    0SOL     H3    3   0.049432   0.015375  -0.024762
-    1SOL     O4    4  -0.133338  -0.042180   0.031600
-    1SOL     H5    5  -0.188075  -0.055697  -0.045753
-    1SOL     H6    6  -0.107296  -0.130342   0.058275
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.047642   0.118787  -0.079633
-    0SOL     H2    2  -0.007647   0.044974  -0.033652
-    0SOL     H3    3  -0.123371   0.081013  -0.124360
-    1SOL     O4    4   0.043269  -0.109641   0.076767
-    1SOL     H5    5   0.086611  -0.088931   0.159560
-    1SOL     H6    6   0.098775  -0.176543   0.036699
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110532   0.005326  -0.100168
-    0SOL     H2    2   0.198930  -0.008816  -0.066284
-    0SOL     H3    3   0.053288  -0.009909  -0.024979
-    1SOL     O4    4  -0.110602  -0.001243   0.088897
-    1SOL     H5    5  -0.159822   0.043779   0.157547
-    1SOL     H6    6  -0.095963  -0.089228   0.123633
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020294  -0.119225  -0.073860
-    0SOL     H2    2  -0.011978  -0.137996  -0.167353
-    0SOL     H3    3   0.005116  -0.200774  -0.030657
-    1SOL     O4    4   0.021886   0.122640   0.082366
-    1SOL     H5    5   0.027689   0.083905  -0.004974
-    1SOL     H6    6  -0.040275   0.194764   0.072550
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071605  -0.107801   0.059054
-    0SOL     H2    2   0.070641  -0.147408   0.146190
-    0SOL     H3    3   0.163337  -0.111601   0.031978
-    1SOL     O4    4  -0.082811   0.113550  -0.061435
-    1SOL     H5    5  -0.009748   0.142278  -0.116197
-    1SOL     H6    6  -0.054683   0.029083  -0.026271
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011614  -0.007078   0.147295
-    0SOL     H2    2   0.103599  -0.019151   0.123730
-    0SOL     H3    3   0.011204   0.070423   0.203471
-    1SOL     O4    4  -0.016331  -0.002201  -0.153600
-    1SOL     H5    5  -0.004771   0.089763  -0.177500
-    1SOL     H6    6  -0.040496  -0.000078  -0.061004
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066444  -0.102815  -0.090986
-    0SOL     H2    2   0.006062  -0.048868  -0.059444
-    0SOL     H3    3  -0.028496  -0.155107  -0.161610
-    1SOL     O4    4   0.061201   0.097831   0.089662
-    1SOL     H5    5  -0.005110   0.104184   0.158398
-    1SOL     H6    6   0.106632   0.182042   0.092286
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106656  -0.069068  -0.093377
-    0SOL     H2    2  -0.134597   0.009829  -0.046935
-    0SOL     H3    3  -0.011040  -0.066449  -0.089765
-    1SOL     O4    4   0.097387   0.061218   0.089464
-    1SOL     H5    5   0.112997   0.154893   0.077482
-    1SOL     H6    6   0.180245   0.027207   0.123230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.087334   0.121929   0.017469
-    0SOL     H2    2   0.107527   0.163835  -0.066187
-    0SOL     H3    3   0.008370   0.166470   0.048181
-    1SOL     O4    4  -0.090270  -0.128114  -0.013053
-    1SOL     H5    5  -0.022600  -0.084178   0.038452
-    1SOL     H6    6  -0.046429  -0.152279  -0.094639
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037222   0.117022  -0.100369
-    0SOL     H2    2   0.071049   0.072985  -0.022402
-    0SOL     H3    3  -0.053701   0.137675  -0.078718
-    1SOL     O4    4  -0.028003  -0.112983   0.094495
-    1SOL     H5    5  -0.077970  -0.135523   0.172965
-    1SOL     H6    6  -0.083205  -0.141788   0.021795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040777   0.144525   0.049146
-    0SOL     H2    2   0.025168   0.155482   0.117655
-    0SOL     H3    3  -0.056319   0.050139   0.045672
-    1SOL     O4    4   0.034273  -0.138980  -0.048916
-    1SOL     H5    5   0.129340  -0.149704  -0.045819
-    1SOL     H6    6   0.012051  -0.148520  -0.141530
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044784  -0.145740   0.023894
-    0SOL     H2    2   0.102433  -0.161296   0.098707
-    0SOL     H3    3   0.102899  -0.113104  -0.044807
-    1SOL     O4    4  -0.051129   0.151344  -0.022613
-    1SOL     H5    5  -0.023867   0.082110   0.037601
-    1SOL     H6    6  -0.064080   0.106667  -0.106270
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074013   0.131610  -0.051082
-    0SOL     H2    2   0.136298   0.151956   0.018696
-    0SOL     H3    3   0.024208   0.056959  -0.017779
-    1SOL     O4    4  -0.073367  -0.121845   0.045711
-    1SOL     H5    5  -0.070762  -0.189340   0.113534
-    1SOL     H6    6  -0.101686  -0.168136  -0.033140
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021707   0.024479  -0.149702
-    0SOL     H2    2   0.046285  -0.023141  -0.197364
-    0SOL     H3    3  -0.006305   0.116427  -0.171400
-    1SOL     O4    4   0.013686  -0.023793   0.158687
-    1SOL     H5    5   0.062653  -0.105991   0.161528
-    1SOL     H6    6   0.019907   0.004710   0.067521
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024239   0.107609   0.111082
-    0SOL     H2    2   0.067560   0.110086   0.138083
-    0SOL     H3    3  -0.064801   0.043784   0.169762
-    1SOL     O4    4   0.026611  -0.108142  -0.114488
-    1SOL     H5    5  -0.013735  -0.042511  -0.057680
-    1SOL     H6    6  -0.027731  -0.108343  -0.193287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070253  -0.131625   0.038862
-    0SOL     H2    2  -0.093353  -0.131135   0.131751
-    0SOL     H3    3  -0.154351  -0.129288  -0.006794
-    1SOL     O4    4   0.080592   0.136678  -0.040656
-    1SOL     H5    5   0.078083   0.055781   0.010448
-    1SOL     H6    6   0.008310   0.128052  -0.102811
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118566  -0.004566   0.105893
-    0SOL     H2    2   0.206592   0.012379   0.072329
-    0SOL     H3    3   0.066890   0.070542   0.076727
-    1SOL     O4    4  -0.114003   0.001596  -0.103019
-    1SOL     H5    5  -0.152175  -0.073279  -0.148833
-    1SOL     H6    6  -0.185140   0.035173  -0.048482
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090804  -0.038943  -0.130098
-    0SOL     H2    2   0.147106   0.030573  -0.096043
-    0SOL     H3    3   0.006583   0.003821  -0.145607
-    1SOL     O4    4  -0.088137   0.033682   0.135864
-    1SOL     H5    5  -0.099911  -0.051458   0.093735
-    1SOL     H6    6  -0.096868   0.097089   0.064690
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020427  -0.119471  -0.099387
-    0SOL     H2    2   0.100820  -0.171336  -0.102415
-    0SOL     H3    3  -0.049955  -0.184337  -0.098329
-    1SOL     O4    4  -0.024653   0.127319   0.105569
-    1SOL     H5    5  -0.012264   0.179722   0.026431
-    1SOL     H6    6   0.022733   0.045993   0.088164
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153076   0.032951   0.022384
-    0SOL     H2    2   0.132940   0.120001  -0.011954
-    0SOL     H3    3   0.244325   0.017925  -0.002317
-    1SOL     O4    4  -0.162319  -0.039285  -0.016627
-    1SOL     H5    5  -0.088782  -0.000394   0.030724
-    1SOL     H6    6  -0.135576  -0.037051  -0.108508
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137149   0.090977  -0.040238
-    0SOL     H2    2  -0.093953   0.009773  -0.066739
-    0SOL     H3    3  -0.072932   0.135341   0.015174
-    1SOL     O4    4   0.124853  -0.089611   0.036222
-    1SOL     H5    5   0.204637  -0.086774  -0.016587
-    1SOL     H6    6   0.155079  -0.076505   0.126093
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050761   0.029009   0.146538
-    0SOL     H2    2   0.127608   0.068664   0.187577
-    0SOL     H3    3  -0.020971   0.047285   0.207225
-    1SOL     O4    4  -0.055952  -0.034098  -0.156886
-    1SOL     H5    5  -0.059360   0.038228  -0.094279
-    1SOL     H6    6   0.027997  -0.076762  -0.139721
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023206  -0.050647   0.151872
-    0SOL     H2    2   0.112621  -0.030919   0.179765
-    0SOL     H3    3  -0.030916   0.013866   0.197383
-    1SOL     O4    4  -0.030245   0.044198  -0.156391
-    1SOL     H5    5   0.018001   0.108123  -0.208813
-    1SOL     H6    6   0.026865   0.026450  -0.081653
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140184  -0.080644  -0.054549
-    0SOL     H2    2   0.064847  -0.046012  -0.006725
-    0SOL     H3    3   0.145863  -0.026194  -0.133068
-    1SOL     O4    4  -0.137634   0.069512   0.054039
-    1SOL     H5    5  -0.115810   0.148005   0.003791
-    1SOL     H6    6  -0.139305   0.098996   0.145089
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096926   0.039783   0.125883
-    0SOL     H2    2  -0.171239   0.088167   0.161924
-    0SOL     H3    3  -0.034201   0.107507   0.100559
-    1SOL     O4    4   0.101323  -0.048328  -0.121384
-    1SOL     H5    5   0.122712   0.008964  -0.195022
-    1SOL     H6    6   0.010812  -0.075097  -0.137306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053671  -0.049242  -0.145376
-    0SOL     H2    2   0.106239  -0.106129  -0.089138
-    0SOL     H3    3   0.109687  -0.031888  -0.221029
-    1SOL     O4    4  -0.061677   0.046152   0.148355
-    1SOL     H5    5  -0.103857   0.130323   0.165630
-    1SOL     H6    6   0.012540   0.067647   0.091857
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038410   0.140147   0.069753
-    0SOL     H2    2   0.020551   0.165073   0.140920
-    0SOL     H3    3  -0.110148   0.203319   0.074784
-    1SOL     O4    4   0.041683  -0.143121  -0.069440
-    1SOL     H5    5   0.030208  -0.234363  -0.096001
-    1SOL     H6    6   0.000696  -0.092393  -0.139505
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051200   0.167727   0.012359
-    0SOL     H2    2  -0.086672   0.097501  -0.042160
-    0SOL     H3    3  -0.026426   0.124482   0.094080
-    1SOL     O4    4   0.051892  -0.167435  -0.012669
-    1SOL     H5    5   0.095405  -0.095049   0.032379
-    1SOL     H6    6   0.004725  -0.125890  -0.084860
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.150707   0.054290  -0.066983
-    0SOL     H2    2   0.159229   0.050819   0.028294
-    0SOL     H3    3   0.079115   0.115916  -0.082445
-    1SOL     O4    4  -0.142959  -0.059316   0.067607
-    1SOL     H5    5  -0.212653  -0.110934   0.027103
-    1SOL     H6    6  -0.141389   0.022297   0.017615
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025336   0.099154   0.138127
-    0SOL     H2    2   0.095731   0.162328   0.152820
-    0SOL     H3    3   0.019907   0.090986   0.042911
-    1SOL     O4    4  -0.023328  -0.096776  -0.136291
-    1SOL     H5    5  -0.030440  -0.150972  -0.057713
-    1SOL     H6    6  -0.099203  -0.121243  -0.189268
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004429  -0.015809   0.173405
-    0SOL     H2    2  -0.064068  -0.090586   0.169691
-    0SOL     H3    3  -0.053678   0.056151   0.133927
-    1SOL     O4    4   0.014379   0.020701  -0.167230
-    1SOL     H5    5  -0.046469  -0.044953  -0.133329
-    1SOL     H6    6   0.021775   0.000657  -0.260535
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132188  -0.009201   0.122913
-    0SOL     H2    2  -0.112904   0.066725   0.067907
-    0SOL     H3    3  -0.185606  -0.066065   0.067458
-    1SOL     O4    4   0.139003   0.005462  -0.118008
-    1SOL     H5    5   0.051323  -0.025095  -0.141263
-    1SOL     H6    6   0.125344   0.093823  -0.083833
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070386  -0.156665  -0.040010
-    0SOL     H2    2   0.022303  -0.177101  -0.052399
-    0SOL     H3    3  -0.116019  -0.213771  -0.101807
-    1SOL     O4    4   0.061476   0.160013   0.040666
-    1SOL     H5    5   0.096271   0.113138   0.116523
-    1SOL     H6    6   0.123388   0.231568   0.026202
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.098918  -0.151806   0.003326
-    0SOL     H2    2  -0.028637  -0.125383  -0.056044
-    0SOL     H3    3  -0.151948  -0.212832  -0.047917
-    1SOL     O4    4   0.100355   0.149969   0.000045
-    1SOL     H5    5   0.006530   0.165600   0.010760
-    1SOL     H6    6   0.142034   0.212668   0.059155
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.048083  -0.036662   0.172966
-    0SOL     H2    2   0.107905  -0.111316   0.176192
-    0SOL     H3    3   0.100018   0.034073   0.134736
-    1SOL     O4    4  -0.060528   0.034179  -0.171986
-    1SOL     H5    5  -0.004225   0.080952  -0.233667
-    1SOL     H6    6  -0.008654   0.028439  -0.091746
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013251   0.064178   0.170615
-    0SOL     H2    2   0.078180   0.006952   0.129729
-    0SOL     H3    3   0.041531   0.071267   0.261787
-    1SOL     O4    4  -0.016633  -0.066997  -0.173923
-    1SOL     H5    5   0.016515   0.007121  -0.224619
-    1SOL     H6    6  -0.086027  -0.029746  -0.119524
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.122683   0.045719  -0.132211
-    0SOL     H2    2  -0.170280   0.069275  -0.052575
-    0SOL     H3    3  -0.188495   0.049794  -0.201597
-    1SOL     O4    4   0.129730  -0.044438   0.136289
-    1SOL     H5    5   0.171919  -0.124570   0.105285
-    1SOL     H6    6   0.064525  -0.024149   0.069213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068692   0.150746  -0.101647
-    0SOL     H2    2  -0.116159   0.071831  -0.075540
-    0SOL     H3    3  -0.032458   0.129598  -0.187683
-    1SOL     O4    4   0.066847  -0.141483   0.108834
-    1SOL     H5    5   0.149744  -0.188968   0.114796
-    1SOL     H6    6   0.026758  -0.173250   0.027926
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065410   0.181863   0.013373
-    0SOL     H2    2   0.028400   0.199793  -0.073063
-    0SOL     H3    3   0.151691   0.144577  -0.004729
-    1SOL     O4    4  -0.070188  -0.177826  -0.011721
-    1SOL     H5    5   0.013725  -0.161505   0.031342
-    1SOL     H6    6  -0.109213  -0.249587   0.038176
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080146   0.124156  -0.128037
-    0SOL     H2    2   0.008728   0.140560  -0.096498
-    0SOL     H3    3  -0.100008   0.199257  -0.183963
-    1SOL     O4    4   0.072739  -0.130408   0.133629
-    1SOL     H5    5   0.163547  -0.157654   0.120441
-    1SOL     H6    6   0.057867  -0.063377   0.066936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.169706   0.023661  -0.106225
-    0SOL     H2    2  -0.140341  -0.015593  -0.188438
-    0SOL     H3    3  -0.134380  -0.033740  -0.038258
-    1SOL     O4    4   0.160211  -0.020906   0.104402
-    1SOL     H5    5   0.219946  -0.059897   0.168227
-    1SOL     H6    6   0.197186   0.065579   0.086638
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.082660   0.096422  -0.152148
-    0SOL     H2    2   0.154874   0.091430  -0.089518
-    0SOL     H3    3   0.074441   0.189718  -0.171913
-    1SOL     O4    4  -0.087476  -0.107987   0.153782
-    1SOL     H5    5  -0.137041  -0.026222   0.158286
-    1SOL     H6    6  -0.020295  -0.091709   0.087570
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033005  -0.179078   0.072409
-    0SOL     H2    2  -0.085123  -0.230885   0.011074
-    0SOL     H3    3  -0.057244  -0.212564   0.158743
-    1SOL     O4    4   0.039794   0.186897  -0.078910
-    1SOL     H5    5  -0.038879   0.211187  -0.030096
-    1SOL     H6    6   0.073768   0.110088  -0.032994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094590  -0.043458   0.185408
-    0SOL     H2    2  -0.123471  -0.010961   0.270684
-    0SOL     H3    3  -0.172066  -0.085708   0.148331
-    1SOL     O4    4   0.106020   0.043371  -0.186722
-    1SOL     H5    5   0.041585   0.094184  -0.137441
-    1SOL     H6    6   0.055532   0.002091  -0.256787
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080728   0.136993  -0.147798
-    0SOL     H2    2   0.041139   0.113407  -0.231694
-    0SOL     H3    3   0.152877   0.075016  -0.137039
-    1SOL     O4    4  -0.077385  -0.129102   0.155661
-    1SOL     H5    5  -0.163870  -0.157353   0.185403
-    1SOL     H6    6  -0.075449  -0.151634   0.062651
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.213724  -0.047106   0.002295
-    0SOL     H2    2  -0.218875   0.039008   0.043770
-    0SOL     H3    3  -0.191444  -0.106838   0.073696
-    1SOL     O4    4   0.214845   0.039841  -0.007558
-    1SOL     H5    5   0.126249   0.067987  -0.030379
-    1SOL     H6    6   0.263308   0.121349   0.005486
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.167713  -0.164244   0.045494
-    0SOL     H2    2   0.072091  -0.160290   0.047275
-    0SOL     H3    3   0.193504  -0.094389  -0.014652
-    1SOL     O4    4  -0.160588   0.165530  -0.039268
-    1SOL     H5    5  -0.186972   0.080874  -0.003220
-    1SOL     H6    6  -0.189619   0.162890  -0.130441
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.175515   0.096212   0.130181
-    0SOL     H2    2   0.121920   0.016907   0.131002
-    0SOL     H3    3   0.244267   0.079382   0.194620
-    1SOL     O4    4  -0.182642  -0.090709  -0.131096
-    1SOL     H5    5  -0.153086  -0.134916  -0.210686
-    1SOL     H6    6  -0.102731  -0.054880  -0.092459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.156007   0.169383   0.089685
-    0SOL     H2    2  -0.162158   0.127394   0.003886
-    0SOL     H3    3  -0.210720   0.247560   0.082122
-    1SOL     O4    4   0.157126  -0.170255  -0.089694
-    1SOL     H5    5   0.189297  -0.257500  -0.066987
-    1SOL     H6    6   0.175008  -0.117136  -0.012099
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.134704   0.176930   0.097085
-    0SOL     H2    2   0.228141   0.175754   0.117829
-    0SOL     H3    3   0.118910   0.264762   0.062466
-    1SOL     O4    4  -0.140987  -0.186969  -0.090920
-    1SOL     H5    5  -0.192222  -0.172906  -0.170541
-    1SOL     H6    6  -0.066766  -0.127102  -0.099255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.157215  -0.197710  -0.028461
-    0SOL     H2    2   0.065568  -0.216718  -0.008415
-    0SOL     H3    3   0.157805  -0.178622  -0.122256
-    1SOL     O4    4  -0.148923   0.203297   0.032295
-    1SOL     H5    5  -0.235217   0.175924   0.001209
-    1SOL     H6    6  -0.112786   0.125357   0.074506
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010608   0.244321  -0.068882
-    0SOL     H2    2   0.048659   0.208334  -0.149003
-    0SOL     H3    3  -0.031690   0.325532  -0.096777
-    1SOL     O4    4  -0.012042  -0.243533   0.080209
-    1SOL     H5    5  -0.060411  -0.257509  -0.001200
-    1SOL     H6    6   0.068232  -0.294559   0.069492
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014193   0.143925   0.211897
-    0SOL     H2    2   0.095965   0.181906   0.244040
-    0SOL     H3    3  -0.025238   0.103106   0.288977
-    1SOL     O4    4  -0.020983  -0.144719  -0.219448
-    1SOL     H5    5  -0.003325  -0.072494  -0.159165
-    1SOL     H6    6   0.060045  -0.195672  -0.220241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.131110   0.195176   0.146690
-    0SOL     H2    2  -0.211007   0.146992   0.125310
-    0SOL     H3    3  -0.070262   0.173266   0.076122
-    1SOL     O4    4   0.134224  -0.184939  -0.138929
-    1SOL     H5    5   0.190481  -0.247154  -0.185045
-    1SOL     H6    6   0.048000  -0.226499  -0.138233
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126817   0.252441  -0.030142
-    0SOL     H2    2   0.166635   0.275694  -0.114024
-    0SOL     H3    3   0.185958   0.187095   0.007202
-    1SOL     O4    4  -0.133504  -0.255109   0.028606
-    1SOL     H5    5  -0.080808  -0.259922   0.108370
-    1SOL     H6    6  -0.158853  -0.163035   0.022110
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017532  -0.277205  -0.084749
-    0SOL     H2    2   0.041028  -0.248801   0.003588
-    0SOL     H3    3   0.038690  -0.370544  -0.086369
-    1SOL     O4    4  -0.016452   0.274469   0.082318
-    1SOL     H5    5  -0.107162   0.282614   0.052862
-    1SOL     H6    6   0.015725   0.364539   0.086120
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-Generated by ForceBalance from calcs/cluster-02/VLE/540K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022158   0.211597  -0.209540
-    0SOL     H2    2  -0.017520   0.193914  -0.115582
-    0SOL     H3    3  -0.022792   0.307098  -0.215985
-    1SOL     O4    4   0.019068  -0.217863   0.209576
-    1SOL     H5    5   0.048862  -0.129976   0.186113
-    1SOL     H6    6   0.044912  -0.272564   0.135400
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.170072  -0.270761   0.026850
-    0SOL     H2    2  -0.221316  -0.279783  -0.053492
-    0SOL     H3    3  -0.095423  -0.216370   0.001723
-    1SOL     O4    4   0.173805   0.263418  -0.021762
-    1SOL     H5    5   0.123778   0.285749   0.056730
-    1SOL     H6    6   0.141318   0.323496  -0.088826
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.297725  -0.011870  -0.155485
-    0SOL     H2    2   0.282459   0.054866  -0.222384
-    0SOL     H3    3   0.254429   0.022249  -0.077231
-    1SOL     O4    4  -0.294661   0.007666   0.149025
-    1SOL     H5    5  -0.224292  -0.024697   0.205267
-    1SOL     H6    6  -0.367197   0.025136   0.208989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056446   0.143347   0.305654
-    0SOL     H2    2   0.035116   0.157854   0.329490
-    0SOL     H3    3  -0.098497   0.228274   0.319128
-    1SOL     O4    4   0.055365  -0.149828  -0.313496
-    1SOL     H5    5   0.076035  -0.206243  -0.238981
-    1SOL     H6    6   0.000702  -0.080438  -0.276626
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113670  -0.326690   0.127919
-    0SOL     H2    2  -0.020165  -0.309055   0.138323
-    0SOL     H3    3  -0.147168  -0.250988   0.079862
-    1SOL     O4    4   0.105223   0.319903  -0.122819
-    1SOL     H5    5   0.119456   0.392899  -0.183079
-    1SOL     H6    6   0.189979   0.275652  -0.118283
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.180596  -0.099257   0.306488
-    0SOL     H2    2   0.106280  -0.127491   0.359799
-    0SOL     H3    3   0.249148  -0.163459   0.324958
-    1SOL     O4    4  -0.180846   0.098494  -0.313870
-    1SOL     H5    5  -0.245938   0.151685  -0.268087
-    1SOL     H6    6  -0.099875   0.149184  -0.307816
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017974  -0.381809   0.097073
-    0SOL     H2    2   0.104878  -0.388747   0.057552
-    0SOL     H3    3  -0.030879  -0.455670   0.060738
-    1SOL     O4    4  -0.023067   0.386884  -0.098625
-    1SOL     H5    5   0.048233   0.439311  -0.062155
-    1SOL     H6    6  -0.045448   0.325094  -0.029031
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056484  -0.336168   0.274852
-    0SOL     H2    2  -0.025503  -0.290102   0.196875
-    0SOL     H3    3  -0.149672  -0.314880   0.279864
-    1SOL     O4    4   0.061133   0.326274  -0.269695
-    1SOL     H5    5   0.013150   0.367084  -0.341768
-    1SOL     H6    6   0.082335   0.398765  -0.210892
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.212678   0.185793  -0.329955
-    0SOL     H2    2   0.120355   0.208653  -0.340738
-    0SOL     H3    3   0.248925   0.189951  -0.418448
-    1SOL     O4    4  -0.202819  -0.189246   0.338261
-    1SOL     H5    5  -0.257314  -0.117064   0.369604
-    1SOL     H6    6  -0.251450  -0.225669   0.264296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.357719  -0.230399   0.208379
-    0SOL     H2    2  -0.368215  -0.311026   0.258892
-    0SOL     H3    3  -0.428967  -0.232656   0.144496
-    1SOL     O4    4   0.365665   0.239373  -0.205951
-    1SOL     H5    5   0.319035   0.224368  -0.288187
-    1SOL     H6    6   0.343907   0.163479  -0.151832
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.373099  -0.274570  -0.248759
-    0SOL     H2    2   0.277785  -0.268318  -0.242564
-    0SOL     H3    3   0.390629  -0.368455  -0.255120
-    1SOL     O4    4  -0.371222   0.278436   0.254963
-    1SOL     H5    5  -0.280668   0.267835   0.225808
-    1SOL     H6    6  -0.416606   0.315553   0.179300
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.330912  -0.204660   0.420171
-    0SOL     H2    2  -0.299981  -0.136205   0.479495
-    0SOL     H3    3  -0.286884  -0.284161   0.450231
-    1SOL     O4    4   0.322739   0.204673  -0.420709
-    1SOL     H5    5   0.415662   0.227031  -0.415441
-    1SOL     H6    6   0.306599   0.191007  -0.514063
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.561919   0.295493   0.085453
-    0SOL     H2    2   0.544952   0.347949   0.163702
-    0SOL     H3    3   0.537278   0.352446   0.012573
-    1SOL     O4    4  -0.563793  -0.306172  -0.087077
-    1SOL     H5    5  -0.513571  -0.288320  -0.007571
-    1SOL     H6    6  -0.544135  -0.232491  -0.144931
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.619436   0.073248   0.232655
-    0SOL     H2    2  -0.615462  -0.016627   0.199958
-    0SOL     H3    3  -0.704703   0.105610   0.203594
-    1SOL     O4    4   0.624834  -0.070229  -0.236408
-    1SOL     H5    5   0.548319  -0.095296  -0.184644
-    1SOL     H6    6   0.685139  -0.031566  -0.172920
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/540K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.164715  -0.527107   0.399801
-    0SOL     H2    2   0.176157  -0.567045   0.313567
-    0SOL     H3    3   0.144738  -0.600576   0.457815
-    1SOL     O4    4  -0.169659   0.530360  -0.402664
-    1SOL     H5    5  -0.165936   0.586275  -0.325063
-    1SOL     H6    6  -0.081529   0.493758  -0.410121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115191  -0.044100   0.003510
-    0SOL     H2    2  -0.126957  -0.058818  -0.090338
-    0SOL     H3    3  -0.121906  -0.131262   0.042498
-    1SOL     O4    4   0.121431   0.047919   0.003014
-    1SOL     H5    5   0.115111   0.129352  -0.046895
-    1SOL     H6    6   0.035990   0.006235  -0.008152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089424   0.084846   0.001151
-    0SOL     H2    2  -0.179907   0.105838   0.024271
-    0SOL     H3    3  -0.066585   0.148481  -0.066608
-    1SOL     O4    4   0.096471  -0.093008   0.007516
-    1SOL     H5    5   0.107794  -0.127651  -0.080994
-    1SOL     H6    6   0.040740  -0.016012  -0.003796
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010837   0.126291  -0.040167
-    0SOL     H2    2  -0.080289   0.151596  -0.054934
-    0SOL     H3    3   0.022072   0.046143  -0.091279
-    1SOL     O4    4  -0.000285  -0.124256   0.041734
-    1SOL     H5    5  -0.051999  -0.183299   0.096525
-    1SOL     H6    6  -0.060767  -0.053723   0.018730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110771   0.008782   0.069192
-    0SOL     H2    2  -0.090827   0.036367   0.158655
-    0SOL     H3    3  -0.149395  -0.078253   0.078962
-    1SOL     O4    4   0.116913  -0.002171  -0.075337
-    1SOL     H5    5   0.028707   0.030912  -0.058378
-    1SOL     H6    6   0.104493  -0.095275  -0.093768
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012898  -0.124324  -0.054772
-    0SOL     H2    2  -0.097912  -0.119258  -0.011077
-    0SOL     H3    3  -0.029926  -0.094086  -0.143980
-    1SOL     O4    4   0.023135   0.126310   0.054385
-    1SOL     H5    5   0.003223   0.035620   0.031122
-    1SOL     H6    6  -0.020309   0.139565   0.138643
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075716   0.006308  -0.118864
-    0SOL     H2    2  -0.026236   0.030088  -0.040452
-    0SOL     H3    3  -0.013128  -0.041687  -0.173100
-    1SOL     O4    4   0.065981  -0.009356   0.115112
-    1SOL     H5    5   0.042029   0.065446   0.169822
-    1SOL     H6    6   0.161336  -0.004537   0.108282
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078618  -0.082911   0.067848
-    0SOL     H2    2  -0.102780  -0.162271   0.020093
-    0SOL     H3    3  -0.161868  -0.047290   0.098878
-    1SOL     O4    4   0.085930   0.082605  -0.073192
-    1SOL     H5    5   0.038360   0.036835  -0.003877
-    1SOL     H6    6   0.101599   0.170141  -0.037777
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067562  -0.096256   0.078382
-    0SOL     H2    2   0.006526  -0.029645   0.046761
-    0SOL     H3    3   0.076935  -0.077790   0.171835
-    1SOL     O4    4  -0.067731   0.090632  -0.075937
-    1SOL     H5    5  -0.084834   0.042822  -0.157079
-    1SOL     H6    6   0.005196   0.148837  -0.097293
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000589   0.101385  -0.087014
-    0SOL     H2    2  -0.092457   0.087052  -0.109755
-    0SOL     H3    3   0.013611   0.194812  -0.102245
-    1SOL     O4    4  -0.000281  -0.110464   0.090149
-    1SOL     H5    5   0.084124  -0.116556   0.134882
-    1SOL     H6    6   0.007685  -0.033139   0.034295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019312  -0.063297   0.117607
-    0SOL     H2    2   0.090393  -0.020948   0.165737
-    0SOL     H3    3  -0.042228  -0.091269   0.185376
-    1SOL     O4    4  -0.019687   0.065928  -0.130088
-    1SOL     H5    5   0.010359  -0.023266  -0.112652
-    1SOL     H6    6  -0.055681   0.095878  -0.046603
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110400   0.060150  -0.056286
-    0SOL     H2    2  -0.156821   0.049904   0.026794
-    0SOL     H3    3  -0.122821   0.152171  -0.079527
-    1SOL     O4    4   0.119965  -0.067736   0.055421
-    1SOL     H5    5   0.032270  -0.078156   0.092345
-    1SOL     H6    6   0.107440  -0.010750  -0.020460
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094342  -0.076497   0.074365
-    0SOL     H2    2   0.174436  -0.122486   0.049220
-    0SOL     H3    3   0.050341  -0.057835  -0.008568
-    1SOL     O4    4  -0.096982   0.071444  -0.064298
-    1SOL     H5    5  -0.080008   0.080262  -0.158088
-    1SOL     H6    6  -0.101299   0.161489  -0.032120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054165  -0.080489   0.099872
-    0SOL     H2    2  -0.107209  -0.101137   0.022916
-    0SOL     H3    3  -0.025098  -0.165640   0.132534
-    1SOL     O4    4   0.051067   0.087375  -0.103273
-    1SOL     H5    5   0.124282   0.146791  -0.086795
-    1SOL     H6    6   0.050787   0.028192  -0.028043
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073972  -0.055228  -0.113801
-    0SOL     H2    2   0.026489  -0.031358  -0.034190
-    0SOL     H3    3   0.142528   0.011110  -0.121657
-    1SOL     O4    4  -0.074260   0.055189   0.104903
-    1SOL     H5    5  -0.009378   0.003305   0.152449
-    1SOL     H6    6  -0.158554   0.025351   0.139058
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024109   0.045490   0.127568
-    0SOL     H2    2   0.064613   0.080819   0.134085
-    0SOL     H3    3  -0.046939   0.021246   0.217309
-    1SOL     O4    4   0.024390  -0.042461  -0.137016
-    1SOL     H5    5  -0.007549  -0.024049  -0.048680
-    1SOL     H6    6  -0.013525  -0.127560  -0.158991
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055979  -0.136741  -0.026032
-    0SOL     H2    2   0.047080  -0.050545   0.014629
-    0SOL     H3    3  -0.018700  -0.186684   0.007000
-    1SOL     O4    4  -0.051789   0.128233   0.021391
-    1SOL     H5    5  -0.055524   0.176588   0.103914
-    1SOL     H6    6  -0.043726   0.195962  -0.045767
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007714  -0.124255  -0.064129
-    0SOL     H2    2  -0.089991  -0.132591  -0.112331
-    0SOL     H3    3   0.013503  -0.213635  -0.037231
-    1SOL     O4    4   0.014491   0.130841   0.071468
-    1SOL     H5    5  -0.032708   0.195711   0.019252
-    1SOL     H6    6   0.012298   0.051167   0.018462
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058094   0.129387  -0.047582
-    0SOL     H2    2   0.143981   0.123060  -0.089364
-    0SOL     H3    3   0.016723   0.044812  -0.064838
-    1SOL     O4    4  -0.060553  -0.117136   0.049450
-    1SOL     H5    5  -0.102578  -0.157279   0.125508
-    1SOL     H6    6  -0.020468  -0.190424   0.002714
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083117  -0.011517  -0.115835
-    0SOL     H2    2   0.158304  -0.052494  -0.073054
-    0SOL     H3    3   0.085442  -0.044842  -0.205537
-    1SOL     O4    4  -0.089087   0.012555   0.124432
-    1SOL     H5    5  -0.050357  -0.027204   0.046447
-    1SOL     H6    6  -0.101048   0.104594   0.101024
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046135   0.010721   0.137219
-    0SOL     H2    2  -0.030115  -0.025251   0.182543
-    0SOL     H3    3   0.063300   0.093876   0.181411
-    1SOL     O4    4  -0.048010  -0.009275  -0.143941
-    1SOL     H5    5   0.033078   0.012343  -0.097901
-    1SOL     H6    6  -0.039433  -0.102182  -0.165318
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.010046  -0.073411   0.133164
-    0SOL     H2    2  -0.033889   0.010451   0.147278
-    0SOL     H3    3  -0.057252  -0.129592   0.094731
-    1SOL     O4    4  -0.009725   0.071996  -0.131836
-    1SOL     H5    5   0.049370   0.032553  -0.195980
-    1SOL     H6    6   0.048294   0.108617  -0.065090
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053134   0.137395   0.034860
-    0SOL     H2    2  -0.019901   0.113327  -0.022139
-    0SOL     H3    3   0.118849   0.173841  -0.024432
-    1SOL     O4    4  -0.059469  -0.135118  -0.029750
-    1SOL     H5    5   0.019257  -0.085783  -0.006715
-    1SOL     H6    6  -0.030543  -0.226303  -0.033041
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101639   0.071791   0.088781
-    0SOL     H2    2   0.053538   0.037380   0.013518
-    0SOL     H3    3   0.191465   0.081870   0.057285
-    1SOL     O4    4  -0.098669  -0.066744  -0.084127
-    1SOL     H5    5  -0.103337  -0.160154  -0.063753
-    1SOL     H6    6  -0.190004  -0.038283  -0.087321
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082682  -0.011334   0.130289
-    0SOL     H2    2  -0.127992   0.072787   0.136034
-    0SOL     H3    3  -0.064182  -0.022307   0.037017
-    1SOL     O4    4   0.078849   0.005167  -0.123577
-    1SOL     H5    5   0.115726   0.093418  -0.119829
-    1SOL     H6    6   0.150126  -0.049224  -0.157095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099803   0.093718  -0.056451
-    0SOL     H2    2  -0.012981   0.133344  -0.049097
-    0SOL     H3    3  -0.145213   0.147311  -0.121474
-    1SOL     O4    4   0.100433  -0.099644   0.064689
-    1SOL     H5    5   0.073207  -0.169967   0.005734
-    1SOL     H6    6   0.060812  -0.020707   0.027792
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.105958   0.106517   0.009251
-    0SOL     H2    2  -0.144125   0.045523   0.072380
-    0SOL     H3    3  -0.077776   0.181208   0.062066
-    1SOL     O4    4   0.110425  -0.106579  -0.010970
-    1SOL     H5    5   0.039066  -0.053570  -0.046470
-    1SOL     H6    6   0.116258  -0.181644  -0.070076
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037775   0.032846  -0.151848
-    0SOL     H2    2  -0.017091  -0.060613  -0.151592
-    0SOL     H3    3  -0.013585   0.063019  -0.064288
-    1SOL     O4    4   0.028195  -0.030200   0.147547
-    1SOL     H5    5   0.091338  -0.086472   0.102729
-    1SOL     H6    6   0.080324   0.043178   0.180113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.096475   0.089085  -0.072340
-    0SOL     H2    2   0.145724   0.101123   0.008851
-    0SOL     H3    3   0.110328   0.170296  -0.121077
-    1SOL     O4    4  -0.102187  -0.095467   0.076395
-    1SOL     H5    5  -0.047483  -0.021523   0.049896
-    1SOL     H6    6  -0.115961  -0.145228  -0.004206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024453  -0.151351  -0.044455
-    0SOL     H2    2  -0.033703  -0.171369   0.048690
-    0SOL     H3    3  -0.077777  -0.072947  -0.057563
-    1SOL     O4    4   0.023455   0.143801   0.037545
-    1SOL     H5    5   0.026214   0.239151   0.029607
-    1SOL     H6    6   0.102469   0.121520   0.086766
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050463  -0.143593   0.044396
-    0SOL     H2    2  -0.012061  -0.212290   0.067499
-    0SOL     H3    3  -0.002064  -0.077535  -0.000765
-    1SOL     O4    4  -0.037066   0.145603  -0.042195
-    1SOL     H5    5  -0.107809   0.143434   0.022249
-    1SOL     H6    6  -0.077565   0.114954  -0.123329
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025865   0.158872   0.015931
-    0SOL     H2    2   0.029349   0.085425  -0.045353
-    0SOL     H3    3   0.078291   0.130231   0.090721
-    1SOL     O4    4  -0.024769  -0.150904  -0.011989
-    1SOL     H5    5  -0.032859  -0.241542  -0.041682
-    1SOL     H6    6  -0.088943  -0.102735  -0.064179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.156999  -0.028982   0.024458
-    0SOL     H2    2  -0.199671   0.011521  -0.051047
-    0SOL     H3    3  -0.064111  -0.030792   0.001415
-    1SOL     O4    4   0.150663   0.032408  -0.021439
-    1SOL     H5    5   0.178639  -0.047460  -0.066170
-    1SOL     H6    6   0.178494   0.020091   0.069314
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085134  -0.128297  -0.053945
-    0SOL     H2    2  -0.057023  -0.188997   0.014521
-    0SOL     H3    3  -0.013244  -0.065535  -0.061370
-    1SOL     O4    4   0.077326   0.129535   0.043576
-    1SOL     H5    5   0.070528   0.193406   0.114546
-    1SOL     H6    6   0.115728   0.052054   0.084617
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059615  -0.093149  -0.123858
-    0SOL     H2    2  -0.033847  -0.075750  -0.112702
-    0SOL     H3    3   0.093366  -0.101082  -0.034638
-    1SOL     O4    4  -0.059692   0.087269   0.119526
-    1SOL     H5    5  -0.045276   0.125688   0.033047
-    1SOL     H6    6  -0.011407   0.144207   0.179433
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140058  -0.010081   0.084521
-    0SOL     H2    2  -0.093093   0.033861   0.013629
-    0SOL     H3    3  -0.188440  -0.080438   0.041261
-    1SOL     O4    4   0.141959   0.018616  -0.075441
-    1SOL     H5    5   0.124007  -0.054147  -0.015896
-    1SOL     H6    6   0.130295  -0.018504  -0.162896
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069078   0.088411   0.108503
-    0SOL     H2    2   0.054512   0.182213   0.096200
-    0SOL     H3    3   0.162268   0.081095   0.129105
-    1SOL     O4    4  -0.079799  -0.090512  -0.109863
-    1SOL     H5    5  -0.012749  -0.054667  -0.051711
-    1SOL     H6    6  -0.037338  -0.165008  -0.152404
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122863  -0.070676  -0.072509
-    0SOL     H2    2   0.182548  -0.048764  -0.144062
-    0SOL     H3    3   0.156745  -0.022145   0.002718
-    1SOL     O4    4  -0.129989   0.062738   0.076507
-    1SOL     H5    5  -0.159797   0.070274  -0.014141
-    1SOL     H6    6  -0.063131   0.130645   0.085509
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.061505   0.026163  -0.140937
-    0SOL     H2    2   0.001463   0.054369  -0.207283
-    0SOL     H3    3  -0.138663  -0.000543  -0.190896
-    1SOL     O4    4   0.067240  -0.031533   0.149156
-    1SOL     H5    5   0.021919  -0.020847   0.065525
-    1SOL     H6    6   0.034190   0.039877   0.203659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063733   0.048696  -0.142709
-    0SOL     H2    2  -0.057113  -0.035130  -0.188445
-    0SOL     H3    3   0.026869   0.078082  -0.133227
-    1SOL     O4    4   0.058111  -0.051576   0.141082
-    1SOL     H5    5  -0.017776   0.005637   0.152495
-    1SOL     H6    6   0.127663  -0.009567   0.191678
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.110217   0.048159   0.102645
-    0SOL     H2    2   0.111736   0.119841   0.166062
-    0SOL     H3    3   0.132101  -0.029677   0.153879
-    1SOL     O4    4  -0.111596  -0.042525  -0.111191
-    1SOL     H5    5  -0.039339  -0.105272  -0.113193
-    1SOL     H6    6  -0.182042  -0.088494  -0.065513
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079107  -0.069603  -0.131372
-    0SOL     H2    2  -0.011551  -0.132828  -0.155888
-    0SOL     H3    3  -0.045713  -0.028507  -0.051633
-    1SOL     O4    4   0.075096   0.065043   0.125620
-    1SOL     H5    5   0.100662   0.152796   0.097193
-    1SOL     H6    6   0.015205   0.080012   0.198773
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.170634  -0.044105   0.003394
-    0SOL     H2    2   0.078251  -0.020349   0.011357
-    0SOL     H3    3   0.207039   0.020912  -0.056687
-    1SOL     O4    4  -0.168490   0.036236  -0.005872
-    1SOL     H5    5  -0.165621  -0.005555   0.080195
-    1SOL     H6    6  -0.151846   0.128819   0.011837
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136765  -0.032911  -0.104927
-    0SOL     H2    2  -0.193446   0.044077  -0.109667
-    0SOL     H3    3  -0.054692  -0.000064  -0.068220
-    1SOL     O4    4   0.136293   0.026226   0.097519
-    1SOL     H5    5   0.178772   0.097895   0.144651
-    1SOL     H6    6   0.087862  -0.021450   0.164927
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.146226   0.007503   0.089153
-    0SOL     H2    2   0.149270  -0.011490   0.182921
-    0SOL     H3    3   0.147308   0.103077   0.083979
-    1SOL     O4    4  -0.147815  -0.015566  -0.099606
-    1SOL     H5    5  -0.122703   0.076445  -0.091494
-    1SOL     H6    6  -0.148237  -0.048346  -0.009675
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067178  -0.113596   0.109386
-    0SOL     H2    2   0.140959  -0.166880   0.079729
-    0SOL     H3    3   0.102139  -0.062840   0.182624
-    1SOL     O4    4  -0.073663   0.115641  -0.118081
-    1SOL     H5    5  -0.106149   0.163603  -0.041880
-    1SOL     H6    6  -0.044455   0.031567  -0.082856
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051328   0.133405   0.102141
-    0SOL     H2    2   0.103119   0.156467   0.025017
-    0SOL     H3    3   0.114775   0.096224   0.163414
-    1SOL     O4    4  -0.052653  -0.130570  -0.102296
-    1SOL     H5    5  -0.099598  -0.198811  -0.150272
-    1SOL     H6    6  -0.114843  -0.100805  -0.035898
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.142756  -0.086067   0.070650
-    0SOL     H2    2  -0.162983   0.004170   0.045942
-    0SOL     H3    3  -0.108649  -0.125816  -0.009469
-    1SOL     O4    4   0.141614   0.080562  -0.060122
-    1SOL     H5    5   0.074050   0.121188  -0.114407
-    1SOL     H6    6   0.222821   0.093661  -0.109072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034357   0.003520   0.171615
-    0SOL     H2    2  -0.062139   0.095087   0.169193
-    0SOL     H3    3  -0.086246  -0.035449   0.241980
-    1SOL     O4    4   0.034184  -0.007612  -0.170673
-    1SOL     H5    5   0.039477  -0.048996  -0.256823
-    1SOL     H6    6   0.109583   0.051279  -0.167665
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.173684   0.043823  -0.042564
-    0SOL     H2    2   0.078308   0.039127  -0.035960
-    0SOL     H3    3   0.194330  -0.001379  -0.124373
-    1SOL     O4    4  -0.166376  -0.034337   0.047642
-    1SOL     H5    5  -0.225335  -0.064722  -0.021372
-    1SOL     H6    6  -0.155292  -0.110251   0.104882
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089341   0.079399  -0.134969
-    0SOL     H2    2  -0.024211   0.012659  -0.156560
-    0SOL     H3    3  -0.073513   0.149661  -0.198017
-    1SOL     O4    4   0.081311  -0.082752   0.145388
-    1SOL     H5    5   0.042429  -0.035744   0.071627
-    1SOL     H6    6   0.175677  -0.077165   0.130349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001573   0.147228  -0.112038
-    0SOL     H2    2  -0.065489   0.186703  -0.056300
-    0SOL     H3    3  -0.044208   0.077452  -0.158917
-    1SOL     O4    4   0.004650  -0.148326   0.106652
-    1SOL     H5    5  -0.002529  -0.053744   0.119499
-    1SOL     H6    6   0.019668  -0.183397   0.194440
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112994  -0.142195  -0.070394
-    0SOL     H2    2   0.124797  -0.080086  -0.142265
-    0SOL     H3    3   0.021729  -0.131035  -0.043776
-    1SOL     O4    4  -0.106262   0.140355   0.067871
-    1SOL     H5    5  -0.198447   0.127551   0.090240
-    1SOL     H6    6  -0.058343   0.108131   0.144210
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.144043  -0.064454  -0.107157
-    0SOL     H2    2   0.193266  -0.061740  -0.189205
-    0SOL     H3    3   0.056951  -0.032210  -0.130342
-    1SOL     O4    4  -0.137550   0.057071   0.114763
-    1SOL     H5    5  -0.115047   0.149266   0.102274
-    1SOL     H6    6  -0.233056   0.054663   0.108831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.143870  -0.143327  -0.008407
-    0SOL     H2    2  -0.209906  -0.108894  -0.068540
-    0SOL     H3    3  -0.104043  -0.065522   0.030612
-    1SOL     O4    4   0.138947   0.139294   0.011139
-    1SOL     H5    5   0.169854   0.082443  -0.059394
-    1SOL     H6    6   0.217198   0.157833   0.063055
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.159386   0.117735  -0.061180
-    0SOL     H2    2   0.217018   0.043987  -0.081233
-    0SOL     H3    3   0.071856   0.079258  -0.056680
-    1SOL     O4    4  -0.157590  -0.111545   0.056441
-    1SOL     H5    5  -0.123841  -0.054909   0.125836
-    1SOL     H6    6  -0.206054  -0.179908   0.102702
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.160176  -0.116843  -0.044907
-    0SOL     H2    2  -0.242443  -0.165447  -0.039247
-    0SOL     H3    3  -0.182485  -0.028430  -0.015793
-    1SOL     O4    4   0.161050   0.115451   0.044366
-    1SOL     H5    5   0.191880   0.045034  -0.012672
-    1SOL     H6    6   0.240236   0.163986   0.067523
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.197161   0.078947   0.004354
-    0SOL     H2    2   0.280452   0.039772  -0.021921
-    0SOL     H3    3   0.155634   0.012456   0.059278
-    1SOL     O4    4  -0.199658  -0.073799   0.001064
-    1SOL     H5    5  -0.251004  -0.012285  -0.051299
-    1SOL     H6    6  -0.147253  -0.121913  -0.062975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026965   0.072884  -0.207428
-    0SOL     H2    2  -0.003093  -0.018530  -0.192070
-    0SOL     H3    3  -0.078968   0.097297  -0.130864
-    1SOL     O4    4   0.032393  -0.063821   0.200938
-    1SOL     H5    5   0.020644  -0.142739   0.148060
-    1SOL     H6    6  -0.027689  -0.075118   0.274592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123692  -0.115471  -0.127172
-    0SOL     H2    2  -0.211097  -0.107219  -0.165311
-    0SOL     H3    3  -0.134543  -0.178128  -0.055628
-    1SOL     O4    4   0.123389   0.115862   0.124453
-    1SOL     H5    5   0.184268   0.129865   0.051927
-    1SOL     H6    6   0.168675   0.151291   0.200980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.169663  -0.128310   0.009104
-    0SOL     H2    2  -0.113039  -0.193905   0.049764
-    0SOL     H3    3  -0.218769  -0.176797  -0.057229
-    1SOL     O4    4   0.166477   0.137976  -0.012943
-    1SOL     H5    5   0.115333   0.093460   0.054622
-    1SOL     H6    6   0.257626   0.121648   0.011296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000560  -0.015662   0.211064
-    0SOL     H2    2   0.093858  -0.024656   0.198153
-    0SOL     H3    3  -0.010389   0.002351   0.304559
-    1SOL     O4    4  -0.009227   0.013847  -0.221280
-    1SOL     H5    5  -0.014047   0.079753  -0.152031
-    1SOL     H6    6   0.073209  -0.032019  -0.205062
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.021420  -0.202317  -0.093026
-    0SOL     H2    2   0.069863  -0.203544  -0.064249
-    0SOL     H3    3  -0.059994  -0.280665  -0.053834
-    1SOL     O4    4   0.020045   0.206697   0.095513
-    1SOL     H5    5  -0.047233   0.153287   0.053283
-    1SOL     H6    6   0.059930   0.256101   0.023883
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.176249   0.124189  -0.050149
-    0SOL     H2    2   0.167427   0.219502  -0.050160
-    0SOL     H3    3   0.270337   0.108796  -0.058676
-    1SOL     O4    4  -0.175835  -0.125538   0.049015
-    1SOL     H5    5  -0.206085  -0.210583   0.017161
-    1SOL     H6    6  -0.242964  -0.098041   0.111465
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019012  -0.159979  -0.158554
-    0SOL     H2    2   0.053109  -0.162162  -0.247969
-    0SOL     H3    3  -0.075010  -0.145436  -0.169072
-    1SOL     O4    4  -0.013628   0.160659   0.157327
-    1SOL     H5    5   0.012517   0.202545   0.239328
-    1SOL     H6    6  -0.080972   0.097654   0.182968
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063873  -0.211921   0.081958
-    0SOL     H2    2  -0.034524  -0.266726   0.009176
-    0SOL     H3    3   0.011927  -0.157397   0.103029
-    1SOL     O4    4   0.058208   0.205429  -0.077932
-    1SOL     H5    5   0.088345   0.278141  -0.023461
-    1SOL     H6    6   0.011476   0.247339  -0.150195
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.142176  -0.190709   0.024507
-    0SOL     H2    2   0.065408  -0.196354  -0.032390
-    0SOL     H3    3   0.204171  -0.136388  -0.024157
-    1SOL     O4    4  -0.135353   0.186618  -0.013484
-    1SOL     H5    5  -0.136238   0.230249  -0.098678
-    1SOL     H6    6  -0.226309   0.160610   0.001105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091142   0.182217   0.151508
-    0SOL     H2    2  -0.093347   0.104627   0.095497
-    0SOL     H3    3  -0.166596   0.172084   0.209529
-    1SOL     O4    4   0.096929  -0.182562  -0.147344
-    1SOL     H5    5   0.068544  -0.093805  -0.125465
-    1SOL     H6    6   0.100262  -0.183798  -0.242998
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135196  -0.207711  -0.027898
-    0SOL     H2    2  -0.191632  -0.196051  -0.104327
-    0SOL     H3    3  -0.195833  -0.222453   0.044684
-    1SOL     O4    4   0.144420   0.211121   0.033074
-    1SOL     H5    5   0.164944   0.218729  -0.060110
-    1SOL     H6    6   0.078446   0.141913   0.037544
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000700  -0.249838   0.074866
-    0SOL     H2    2  -0.030177  -0.170716   0.029774
-    0SOL     H3    3   0.078723  -0.222965   0.121043
-    1SOL     O4    4   0.002277   0.238447  -0.072641
-    1SOL     H5    5   0.030825   0.327357  -0.093673
-    1SOL     H6    6  -0.092341   0.239575  -0.087085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111998   0.187345  -0.158938
-    0SOL     H2    2  -0.018346   0.193224  -0.140038
-    0SOL     H3    3  -0.128905   0.093521  -0.167519
-    1SOL     O4    4   0.109399  -0.176625   0.152978
-    1SOL     H5    5   0.135407  -0.268660   0.156909
-    1SOL     H6    6   0.051145  -0.164921   0.228023
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.152973  -0.093879  -0.197228
-    0SOL     H2    2  -0.132994  -0.184915  -0.175419
-    0SOL     H3    3  -0.228754  -0.099227  -0.255460
-    1SOL     O4    4   0.162834   0.098161   0.199346
-    1SOL     H5    5   0.096889   0.051225   0.250440
-    1SOL     H6    6   0.112382   0.157959   0.144200
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137715  -0.095044  -0.215533
-    0SOL     H2    2   0.110132  -0.148894  -0.141361
-    0SOL     H3    3   0.085812  -0.127285  -0.289214
-    1SOL     O4    4  -0.128729   0.104073   0.220702
-    1SOL     H5    5  -0.112746   0.016007   0.186771
-    1SOL     H6    6  -0.198667   0.138796   0.165337
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.217192   0.153856  -0.139384
-    0SOL     H2    2  -0.211958   0.059963  -0.157246
-    0SOL     H3    3  -0.196412   0.161769  -0.046283
-    1SOL     O4    4   0.210890  -0.152907   0.138548
-    1SOL     H5    5   0.288577  -0.113592   0.178315
-    1SOL     H6    6   0.218626  -0.132380   0.045376
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.158136   0.252749  -0.005729
-    0SOL     H2    2   0.230235   0.288754   0.045920
-    0SOL     H3    3   0.104966   0.204554   0.057615
-    1SOL     O4    4  -0.162642  -0.256268  -0.001185
-    1SOL     H5    5  -0.170521  -0.162578  -0.019142
-    1SOL     H6    6  -0.076741  -0.265672   0.039984
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072125  -0.215809   0.203256
-    0SOL     H2    2   0.007465  -0.173683   0.235708
-    0SOL     H3    3  -0.118914  -0.242811   0.282275
-    1SOL     O4    4   0.068026   0.213564  -0.215672
-    1SOL     H5    5   0.153939   0.185868  -0.183824
-    1SOL     H6    6   0.034992   0.272253  -0.147652
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064723  -0.301514  -0.123749
-    0SOL     H2    2  -0.064796  -0.363702  -0.050983
-    0SOL     H3    3  -0.136843  -0.241674  -0.104250
-    1SOL     O4    4   0.072638   0.301022   0.121761
-    1SOL     H5    5   0.067510   0.362748   0.048782
-    1SOL     H6    6  -0.011395   0.255210   0.120396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.208719   0.247142  -0.097623
-    0SOL     H2    2  -0.179422   0.337820  -0.106650
-    0SOL     H3    3  -0.129512   0.194943  -0.110423
-    1SOL     O4    4   0.206407  -0.243962   0.102559
-    1SOL     H5    5   0.166169  -0.232209   0.016507
-    1SOL     H6    6   0.194329  -0.336861   0.122213
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.235646  -0.200502  -0.135632
-    0SOL     H2    2   0.165006  -0.139868  -0.157898
-    0SOL     H3    3   0.278877  -0.218665  -0.219079
-    1SOL     O4    4  -0.233466   0.202465   0.146334
-    1SOL     H5    5  -0.273663   0.213629   0.060184
-    1SOL     H6    6  -0.206878   0.110542   0.148680
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134748  -0.059302   0.311737
-    0SOL     H2    2  -0.054988  -0.043031   0.261380
-    0SOL     H3    3  -0.192433   0.013808   0.289609
-    1SOL     O4    4   0.129937   0.059903  -0.307528
-    1SOL     H5    5   0.179597   0.019808  -0.236194
-    1SOL     H6    6   0.143385   0.001318  -0.382022
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.324403   0.069386   0.111720
-    0SOL     H2    2   0.310556   0.134790   0.180224
-    0SOL     H3    3   0.406107   0.025933   0.136188
-    1SOL     O4    4  -0.329520  -0.067610  -0.111609
-    1SOL     H5    5  -0.246385  -0.111625  -0.129315
-    1SOL     H6    6  -0.381072  -0.080782  -0.191178
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.354371  -0.017261   0.040500
-    0SOL     H2    2   0.437713  -0.055278   0.012732
-    0SOL     H3    3   0.289390  -0.084610   0.020400
-    1SOL     O4    4  -0.358120   0.024292  -0.032649
-    1SOL     H5    5  -0.343507  -0.061678  -0.072120
-    1SOL     H6    6  -0.317262   0.085883  -0.093473
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.174912   0.077772   0.341243
-    0SOL     H2    2  -0.250014   0.029110   0.375214
-    0SOL     H3    3  -0.160097   0.041224   0.254024
-    1SOL     O4    4   0.181591  -0.067399  -0.339693
-    1SOL     H5    5   0.179992  -0.124120  -0.262606
-    1SOL     H6    6   0.121785  -0.109310  -0.401572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.379048  -0.021019  -0.164352
-    0SOL     H2    2   0.431398  -0.090698  -0.203934
-    0SOL     H3    3   0.406909  -0.019129  -0.072797
-    1SOL     O4    4  -0.382665   0.030705   0.163453
-    1SOL     H5    5  -0.425912  -0.043682   0.205389
-    1SOL     H6    6  -0.366433   0.001568   0.073732
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.354783  -0.178521  -0.144805
-    0SOL     H2    2   0.274972  -0.127878  -0.129716
-    0SOL     H3    3   0.419672  -0.113560  -0.171857
-    1SOL     O4    4  -0.355352   0.168538   0.148884
-    1SOL     H5    5  -0.402740   0.245858   0.118254
-    1SOL     H6    6  -0.273170   0.169760   0.099824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.184247   0.331334  -0.251318
-    0SOL     H2    2   0.246278   0.385372  -0.300250
-    0SOL     H3    3   0.144603   0.391441  -0.188248
-    1SOL     O4    4  -0.184840  -0.337554   0.257468
-    1SOL     H5    5  -0.261991  -0.361962   0.206338
-    1SOL     H6    6  -0.118549  -0.315739   0.191955
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.397231   0.254110   0.043597
-    0SOL     H2    2  -0.336607   0.326660   0.028644
-    0SOL     H3    3  -0.358301   0.204801   0.115814
-    1SOL     O4    4   0.390976  -0.259078  -0.051469
-    1SOL     H5    5   0.374176  -0.165462  -0.040687
-    1SOL     H6    6   0.425383  -0.287206   0.033309
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116320  -0.454912  -0.137429
-    0SOL     H2    2   0.119700  -0.431520  -0.044673
-    0SOL     H3    3   0.207575  -0.452225  -0.166197
-    1SOL     O4    4  -0.117776   0.448677   0.130837
-    1SOL     H5    5  -0.094312   0.493536   0.212075
-    1SOL     H6    6  -0.200323   0.489085   0.104089
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.286733   0.423090  -0.019769
-    0SOL     H2    2  -0.379493   0.399909  -0.015246
-    0SOL     H3    3  -0.266493   0.422941  -0.113324
-    1SOL     O4    4   0.289743  -0.427066   0.028018
-    1SOL     H5    5   0.348240  -0.356306   0.055100
-    1SOL     H6    6   0.250367  -0.395804  -0.053435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.108581   0.124162   0.550193
-    0SOL     H2    2  -0.096656   0.154812   0.460300
-    0SOL     H3    3  -0.090188   0.200911   0.604355
-    1SOL     O4    4   0.112485  -0.132739  -0.549803
-    1SOL     H5    5   0.051704  -0.149512  -0.477785
-    1SOL     H6    6   0.073846  -0.059069  -0.597153
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/550K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.475417   0.404610   0.071872
-    0SOL     H2    2   0.513340   0.462594   0.005826
-    0SOL     H3    3   0.533548   0.328576   0.073278
-    1SOL     O4    4  -0.485597  -0.407184  -0.064718
-    1SOL     H5    5  -0.505408  -0.330138  -0.117951
-    1SOL     H6    6  -0.390644  -0.417233  -0.071446
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026663  -0.110841  -0.068396
-    0SOL     H2    2   0.041441  -0.031654  -0.120100
-    0SOL     H3    3   0.112423  -0.153155  -0.064259
-    1SOL     O4    4  -0.035507   0.114263   0.071819
-    1SOL     H5    5  -0.055937   0.038762   0.016642
-    1SOL     H6    6   0.048804   0.092730   0.111698
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049507   0.112698   0.056003
-    0SOL     H2    2  -0.009087   0.145577  -0.024293
-    0SOL     H3    3   0.021141   0.113687   0.120580
-    1SOL     O4    4   0.042113  -0.119523  -0.058694
-    1SOL     H5    5   0.125489  -0.118949  -0.011680
-    1SOL     H6    6   0.003502  -0.033926  -0.040128
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.118257  -0.064775   0.035277
-    0SOL     H2    2   0.093790  -0.154109   0.011128
-    0SOL     H3    3   0.046265  -0.010605   0.002948
-    1SOL     O4    4  -0.110777   0.065929  -0.038105
-    1SOL     H5    5  -0.167742   0.006893   0.011211
-    1SOL     H6    6  -0.088864   0.135487   0.023894
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033830  -0.065791   0.109159
-    0SOL     H2    2  -0.005538  -0.046302   0.198501
-    0SOL     H3    3  -0.123633  -0.032958   0.104722
-    1SOL     O4    4   0.035148   0.067565  -0.116849
-    1SOL     H5    5   0.092003   0.001761  -0.156845
-    1SOL     H6    6   0.023902   0.037872  -0.026548
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006588   0.083031   0.112794
-    0SOL     H2    2  -0.088744   0.105341   0.069033
-    0SOL     H3    3  -0.031625   0.019575   0.179942
-    1SOL     O4    4   0.011732  -0.076572  -0.118529
-    1SOL     H5    5  -0.009363  -0.065490  -0.025823
-    1SOL     H6    6   0.037138  -0.168511  -0.126537
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035647  -0.100555  -0.089238
-    0SOL     H2    2  -0.126077  -0.131569  -0.084478
-    0SOL     H3    3  -0.028137  -0.061765  -0.176424
-    1SOL     O4    4   0.044816   0.101022   0.098311
-    1SOL     H5    5   0.041788   0.034503   0.029548
-    1SOL     H6    6  -0.038896   0.146868   0.091056
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.091099   0.107539  -0.046321
-    0SOL     H2    2   0.069690   0.148793   0.037358
-    0SOL     H3    3   0.074573   0.014342  -0.032054
-    1SOL     O4    4  -0.084090  -0.100968   0.044155
-    1SOL     H5    5  -0.090600  -0.194478   0.024766
-    1SOL     H6    6  -0.163783  -0.063149   0.006993
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097819   0.040078   0.093954
-    0SOL     H2    2   0.192901   0.029235   0.091961
-    0SOL     H3    3   0.066234  -0.034428   0.145077
-    1SOL     O4    4  -0.107273  -0.035747  -0.099050
-    1SOL     H5    5  -0.054233  -0.113556  -0.081879
-    1SOL     H6    6  -0.051474   0.037551  -0.073046
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.139724  -0.017820  -0.036620
-    0SOL     H2    2  -0.073187   0.032198   0.010638
-    0SOL     H3    3  -0.215693  -0.017708   0.021612
-    1SOL     O4    4   0.133984   0.014668   0.033337
-    1SOL     H5    5   0.171527  -0.037237  -0.037788
-    1SOL     H6    6   0.204861   0.072994   0.060482
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095527   0.076511  -0.071740
-    0SOL     H2    2  -0.018044   0.070904  -0.127662
-    0SOL     H3    3  -0.169261   0.076024  -0.132776
-    1SOL     O4    4   0.097665  -0.078833   0.083830
-    1SOL     H5    5   0.119162  -0.093178  -0.008336
-    1SOL     H6    6   0.026723  -0.014591   0.082209
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.020930  -0.059215   0.137397
-    0SOL     H2    2   0.031684  -0.019126   0.068210
-    0SOL     H3    3  -0.048158  -0.143483   0.101066
-    1SOL     O4    4   0.018853   0.063264  -0.124065
-    1SOL     H5    5   0.007029  -0.020625  -0.168619
-    1SOL     H6    6   0.039357   0.125034  -0.194253
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.093635  -0.091771   0.058246
-    0SOL     H2    2   0.132032  -0.048507   0.134511
-    0SOL     H3    3   0.168795  -0.124725   0.008979
-    1SOL     O4    4  -0.100452   0.091744  -0.066501
-    1SOL     H5    5  -0.042725   0.035046  -0.015362
-    1SOL     H6    6  -0.146213   0.144621  -0.001139
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019896  -0.025021   0.149022
-    0SOL     H2    2   0.047185   0.005728   0.062581
-    0SOL     H3    3   0.008401  -0.119451   0.138377
-    1SOL     O4    4  -0.015843   0.025842  -0.142279
-    1SOL     H5    5  -0.107558  -0.001496  -0.140452
-    1SOL     H6    6  -0.018545   0.116989  -0.171387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070527   0.102649   0.087020
-    0SOL     H2    2  -0.017028   0.062562   0.018513
-    0SOL     H3    3  -0.156804   0.113286   0.046952
-    1SOL     O4    4   0.070455  -0.094503  -0.083269
-    1SOL     H5    5   0.155840  -0.136416  -0.093985
-    1SOL     H6    6   0.015929  -0.161372  -0.041824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120465   0.027614   0.086426
-    0SOL     H2    2   0.105622   0.028609   0.180983
-    0SOL     H3    3   0.033456   0.039524   0.048348
-    1SOL     O4    4  -0.113132  -0.023382  -0.088419
-    1SOL     H5    5  -0.170889  -0.074586  -0.031810
-    1SOL     H6    6  -0.097633  -0.079776  -0.164194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108312  -0.002120  -0.107976
-    0SOL     H2    2   0.160454   0.065783  -0.065166
-    0SOL     H3    3   0.017644   0.020833  -0.087610
-    1SOL     O4    4  -0.110371   0.000402   0.106080
-    1SOL     H5    5  -0.018509  -0.002467   0.132829
-    1SOL     H6    6  -0.118898  -0.070120   0.041922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043875  -0.124185  -0.054317
-    0SOL     H2    2  -0.133875  -0.154931  -0.043504
-    0SOL     H3    3  -0.019349  -0.152268  -0.142477
-    1SOL     O4    4   0.053605   0.128117   0.061172
-    1SOL     H5    5   0.014204   0.057864   0.009457
-    1SOL     H6    6  -0.016084   0.193077   0.070441
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.053292   0.132148   0.033515
-    0SOL     H2    2   0.107322   0.211157   0.034333
-    0SOL     H3    3   0.071533   0.091476  -0.051193
-    1SOL     O4    4  -0.059597  -0.136062  -0.034708
-    1SOL     H5    5   0.013441  -0.174564   0.013721
-    1SOL     H6    6  -0.092653  -0.066939   0.022666
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113099   0.097272   0.010073
-    0SOL     H2    2   0.133198   0.177268   0.058642
-    0SOL     H3    3   0.031054   0.066018   0.048207
-    1SOL     O4    4  -0.106343  -0.095190  -0.020416
-    1SOL     H5    5  -0.062856  -0.158851   0.036317
-    1SOL     H6    6  -0.198840  -0.100953   0.003527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029968   0.017463   0.147864
-    0SOL     H2    2   0.024768  -0.036750   0.204672
-    0SOL     H3    3   0.026486   0.039060   0.073642
-    1SOL     O4    4   0.020347  -0.009632  -0.144773
-    1SOL     H5    5   0.034317  -0.089285  -0.093561
-    1SOL     H6    6   0.063679  -0.026929  -0.228352
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065673   0.102666  -0.083260
-    0SOL     H2    2  -0.108610   0.133194  -0.003343
-    0SOL     H3    3  -0.026368   0.181384  -0.120956
-    1SOL     O4    4   0.068248  -0.114085   0.081574
-    1SOL     H5    5   0.022498  -0.081011   0.004274
-    1SOL     H6    6   0.063584  -0.042329   0.144754
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068503   0.128165   0.032029
-    0SOL     H2    2  -0.137187   0.100909   0.092872
-    0SOL     H3    3  -0.004766   0.174027   0.086770
-    1SOL     O4    4   0.075415  -0.129489  -0.040356
-    1SOL     H5    5   0.036257  -0.049058  -0.006299
-    1SOL     H6    6   0.010159  -0.197270  -0.022760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085184  -0.065404   0.114049
-    0SOL     H2    2  -0.077338  -0.013462   0.034032
-    0SOL     H3    3  -0.015873  -0.131038   0.106947
-    1SOL     O4    4   0.074701   0.067210  -0.108977
-    1SOL     H5    5   0.145121   0.131607  -0.101477
-    1SOL     H6    6   0.119771  -0.016250  -0.121843
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042802   0.120464   0.082047
-    0SOL     H2    2  -0.015491   0.192308   0.106598
-    0SOL     H3    3  -0.006117   0.041227   0.104202
-    1SOL     O4    4  -0.039395  -0.125665  -0.081107
-    1SOL     H5    5  -0.072026  -0.035797  -0.076489
-    1SOL     H6    6   0.032690  -0.121822  -0.143966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104918   0.067299   0.095837
-    0SOL     H2    2   0.017619   0.073600   0.057089
-    0SOL     H3    3   0.108186  -0.020658   0.133456
-    1SOL     O4    4  -0.100568  -0.055844  -0.094800
-    1SOL     H5    5  -0.029060  -0.118179  -0.082022
-    1SOL     H6    6  -0.172129  -0.108412  -0.130549
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127284  -0.020371   0.083914
-    0SOL     H2    2  -0.153565  -0.109433   0.107142
-    0SOL     H3    3  -0.034922  -0.028071   0.059994
-    1SOL     O4    4   0.120620   0.025051  -0.079226
-    1SOL     H5    5   0.090318   0.053122  -0.165575
-    1SOL     H6    6   0.215548   0.017036  -0.088541
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.048080   0.130837  -0.050174
-    0SOL     H2    2  -0.077650   0.115342  -0.139884
-    0SOL     H3    3  -0.058798   0.225081  -0.037314
-    1SOL     O4    4   0.044257  -0.135687   0.057042
-    1SOL     H5    5   0.090796  -0.193780  -0.003138
-    1SOL     H6    6   0.093409  -0.053607   0.053990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020989   0.138417   0.076536
-    0SOL     H2    2  -0.011030   0.182711  -0.002046
-    0SOL     H3    3  -0.002529   0.046542   0.063563
-    1SOL     O4    4  -0.013546  -0.135499  -0.076205
-    1SOL     H5    5  -0.104970  -0.109068  -0.086471
-    1SOL     H6    6  -0.008325  -0.169685   0.013050
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025233  -0.149896   0.035681
-    0SOL     H2    2   0.066073  -0.184641  -0.043611
-    0SOL     H3    3   0.084469  -0.080567   0.064782
-    1SOL     O4    4  -0.025068   0.150397  -0.035826
-    1SOL     H5    5  -0.085537   0.200412   0.018986
-    1SOL     H6    6  -0.061681   0.061971  -0.037441
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025217  -0.048031   0.151578
-    0SOL     H2    2   0.013821  -0.077692   0.061286
-    0SOL     H3    3   0.023248   0.047499   0.145887
-    1SOL     O4    4  -0.027532   0.047021  -0.140587
-    1SOL     H5    5   0.051890   0.074790  -0.186231
-    1SOL     H6    6  -0.060046  -0.026983  -0.191857
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.140132  -0.034917  -0.064157
-    0SOL     H2    2   0.232501  -0.029689  -0.039602
-    0SOL     H3    3   0.093810   0.008944   0.007206
-    1SOL     O4    4  -0.141144   0.028779   0.052065
-    1SOL     H5    5  -0.209384   0.002847   0.113977
-    1SOL     H6    6  -0.103906   0.108639   0.089455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073135   0.101312  -0.107401
-    0SOL     H2    2   0.073663   0.007797  -0.086980
-    0SOL     H3    3  -0.007807   0.133996  -0.068127
-    1SOL     O4    4  -0.073780  -0.101364   0.103703
-    1SOL     H5    5  -0.047940  -0.042103   0.174292
-    1SOL     H6    6  -0.001644  -0.096832   0.040949
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068688  -0.121335  -0.084890
-    0SOL     H2    2  -0.025767  -0.046944  -0.042628
-    0SOL     H3    3  -0.065286  -0.191262  -0.019613
-    1SOL     O4    4   0.071256   0.120025   0.074993
-    1SOL     H5    5   0.002858   0.186283   0.065305
-    1SOL     H6    6   0.049482   0.074796   0.156495
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026265  -0.035060   0.153568
-    0SOL     H2    2  -0.025654  -0.130772   0.154684
-    0SOL     H3    3   0.065634  -0.010600   0.142680
-    1SOL     O4    4   0.018636   0.042057  -0.157292
-    1SOL     H5    5   0.113131   0.033762  -0.144478
-    1SOL     H6    6  -0.019741  -0.013940  -0.089809
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.060566  -0.106948  -0.116571
-    0SOL     H2    2  -0.014878  -0.163495  -0.054304
-    0SOL     H3    3  -0.038979  -0.018009  -0.088533
-    1SOL     O4    4   0.051155   0.106424   0.109522
-    1SOL     H5    5   0.072990   0.090557   0.201358
-    1SOL     H6    6   0.134063   0.095595   0.062925
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067695  -0.088507  -0.117686
-    0SOL     H2    2  -0.029770  -0.167138  -0.078428
-    0SOL     H3    3  -0.075712  -0.109603  -0.210708
-    1SOL     O4    4   0.061183   0.093067   0.123135
-    1SOL     H5    5   0.080507   0.113099   0.031551
-    1SOL     H6    6   0.147071   0.086058   0.164806
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.154579   0.066452  -0.011587
-    0SOL     H2    2  -0.189209   0.101602  -0.093609
-    0SOL     H3    3  -0.077556   0.015989  -0.037725
-    1SOL     O4    4   0.149223  -0.060003   0.016311
-    1SOL     H5    5   0.236775  -0.074096   0.052344
-    1SOL     H6    6   0.117806  -0.147767  -0.005432
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.013318  -0.161893  -0.003866
-    0SOL     H2    2   0.075712  -0.195412  -0.014467
-    0SOL     H3    3  -0.067740  -0.221716  -0.055070
-    1SOL     O4    4   0.014759   0.169669   0.008055
-    1SOL     H5    5  -0.062130   0.144871   0.059391
-    1SOL     H6    6   0.006667   0.119485  -0.073053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082097   0.139621   0.027107
-    0SOL     H2    2  -0.159947   0.193460   0.012856
-    0SOL     H3    3  -0.072728   0.135694   0.122287
-    1SOL     O4    4   0.081464  -0.147649  -0.033764
-    1SOL     H5    5   0.067266  -0.053004  -0.035545
-    1SOL     H6    6   0.171104  -0.157871  -0.001786
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.037757   0.126329   0.104330
-    0SOL     H2    2  -0.025664   0.125221   0.009383
-    0SOL     H3    3  -0.053043   0.218418   0.125502
-    1SOL     O4    4   0.040148  -0.135939  -0.096372
-    1SOL     H5    5   0.079480  -0.048674  -0.096918
-    1SOL     H6    6  -0.029230  -0.131405  -0.162163
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099454  -0.129858  -0.001140
-    0SOL     H2    2  -0.156820  -0.130892   0.075479
-    0SOL     H3    3  -0.138755  -0.192996  -0.061400
-    1SOL     O4    4   0.107231   0.139624   0.000021
-    1SOL     H5    5   0.122476   0.062933  -0.055192
-    1SOL     H6    6   0.048736   0.108286   0.069003
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099071   0.133998   0.062390
-    0SOL     H2    2  -0.031527   0.132802  -0.005424
-    0SOL     H3    3  -0.089985   0.049693   0.106801
-    1SOL     O4    4   0.093629  -0.128317  -0.055325
-    1SOL     H5    5   0.076094  -0.072166  -0.130836
-    1SOL     H6    6   0.135448  -0.206027  -0.092400
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069397  -0.069488   0.143208
-    0SOL     H2    2   0.010839  -0.108598   0.078372
-    0SOL     H3    3   0.050956  -0.117233   0.224094
-    1SOL     O4    4  -0.065566   0.068624  -0.148734
-    1SOL     H5    5  -0.019774   0.077029  -0.065100
-    1SOL     H6    6  -0.103669   0.155091  -0.164028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063019  -0.103614   0.134089
-    0SOL     H2    2  -0.002254  -0.049680   0.083483
-    0SOL     H3    3  -0.119084  -0.144757   0.068314
-    1SOL     O4    4   0.064579   0.109336  -0.129558
-    1SOL     H5    5  -0.020199   0.066753  -0.116838
-    1SOL     H6    6   0.128314   0.046567  -0.095497
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083061  -0.132224  -0.064228
-    0SOL     H2    2   0.087040  -0.158749  -0.156114
-    0SOL     H3    3   0.101735  -0.212341  -0.015291
-    1SOL     O4    4  -0.090015   0.140221   0.064795
-    1SOL     H5    5  -0.056893   0.133391   0.154341
-    1SOL     H6    6  -0.017238   0.110870   0.009983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074734  -0.053284   0.156562
-    0SOL     H2    2   0.006211  -0.092963   0.102779
-    0SOL     H3    3   0.146849  -0.037382   0.095662
-    1SOL     O4    4  -0.074282   0.049707  -0.145472
-    1SOL     H5    5  -0.153784   0.089974  -0.180406
-    1SOL     H6    6  -0.002826   0.094228  -0.191015
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153335   0.044273  -0.080433
-    0SOL     H2    2   0.164338  -0.048663  -0.100535
-    0SOL     H3    3   0.091158   0.075815  -0.146018
-    1SOL     O4    4  -0.153681  -0.043343   0.090251
-    1SOL     H5    5  -0.179556   0.017784   0.021284
-    1SOL     H6    6  -0.058579  -0.050183   0.081816
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029805   0.146078   0.109437
-    0SOL     H2    2  -0.111800   0.102317   0.086544
-    0SOL     H3    3   0.027946   0.129324   0.034963
-    1SOL     O4    4   0.025854  -0.139379  -0.103124
-    1SOL     H5    5   0.111407  -0.109363  -0.072432
-    1SOL     H6    6   0.042651  -0.226112  -0.139969
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058445  -0.104875  -0.134048
-    0SOL     H2    2   0.086067  -0.160887  -0.061509
-    0SOL     H3    3  -0.031947  -0.131071  -0.151524
-    1SOL     O4    4  -0.049918   0.113495   0.132471
-    1SOL     H5    5  -0.071343   0.042013   0.192417
-    1SOL     H6    6  -0.113338   0.104943   0.061287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043874   0.169202  -0.069440
-    0SOL     H2    2   0.059552   0.117556   0.009612
-    0SOL     H3    3  -0.051229   0.179471  -0.072930
-    1SOL     O4    4  -0.042628  -0.168025   0.070665
-    1SOL     H5    5   0.031452  -0.217660   0.035868
-    1SOL     H6    6  -0.058664  -0.099899   0.005365
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083549  -0.036500  -0.160816
-    0SOL     H2    2   0.144654  -0.093604  -0.114258
-    0SOL     H3    3   0.122052   0.050835  -0.153571
-    1SOL     O4    4  -0.086954   0.038911   0.162824
-    1SOL     H5    5  -0.154134  -0.029040   0.168460
-    1SOL     H6    6  -0.055048   0.033699   0.072729
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057849   0.059355  -0.162693
-    0SOL     H2    2   0.019674   0.121925  -0.224256
-    0SOL     H3    3   0.022506  -0.025425  -0.189629
-    1SOL     O4    4  -0.059212  -0.055151   0.168207
-    1SOL     H5    5   0.017752  -0.030069   0.219292
-    1SOL     H6    6  -0.029713  -0.129139   0.115123
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.071322  -0.157627   0.063057
-    0SOL     H2    2  -0.106855  -0.241481   0.092522
-    0SOL     H3    3  -0.138394  -0.093531   0.086623
-    1SOL     O4    4   0.081138   0.158277  -0.070424
-    1SOL     H5    5   0.047542   0.232172  -0.019698
-    1SOL     H6    6   0.036120   0.081921  -0.034294
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094282  -0.074083  -0.156647
-    0SOL     H2    2  -0.107801  -0.073809  -0.061887
-    0SOL     H3    3  -0.011469  -0.120485  -0.168941
-    1SOL     O4    4   0.095719   0.078283   0.154295
-    1SOL     H5    5   0.009660   0.059284   0.191647
-    1SOL     H6    6   0.082231   0.074156   0.059620
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029553  -0.181869  -0.061651
-    0SOL     H2    2  -0.091430  -0.118300  -0.025700
-    0SOL     H3    3  -0.038109  -0.172670  -0.156543
-    1SOL     O4    4   0.029414   0.180413   0.060786
-    1SOL     H5    5   0.013375   0.166434   0.154112
-    1SOL     H6    6   0.118399   0.148111   0.046626
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.153067  -0.063404  -0.109557
-    0SOL     H2    2  -0.102448  -0.138944  -0.079661
-    0SOL     H3    3  -0.185913  -0.023181  -0.029148
-    1SOL     O4    4   0.151210   0.067657   0.109887
-    1SOL     H5    5   0.158541  -0.023942   0.083089
-    1SOL     H6    6   0.158934   0.117206   0.028355
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.177809   0.014005  -0.093767
-    0SOL     H2    2   0.097314   0.027961  -0.043886
-    0SOL     H3    3   0.203009  -0.076180  -0.073921
-    1SOL     O4    4  -0.180210  -0.007859   0.086279
-    1SOL     H5    5  -0.107185   0.047773   0.113385
-    1SOL     H6    6  -0.159165  -0.094155   0.121950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082891   0.079522   0.157742
-    0SOL     H2    2  -0.053457   0.170565   0.160407
-    0SOL     H3    3  -0.170710   0.083790   0.119901
-    1SOL     O4    4   0.085354  -0.083204  -0.162515
-    1SOL     H5    5   0.139331  -0.036441  -0.098781
-    1SOL     H6    6   0.046517  -0.155214  -0.112830
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030518  -0.042887   0.185983
-    0SOL     H2    2   0.114576  -0.068192   0.147823
-    0SOL     H3    3   0.022357  -0.097314   0.264299
-    1SOL     O4    4  -0.029941   0.050499  -0.190827
-    1SOL     H5    5  -0.050283   0.022351  -0.101629
-    1SOL     H6    6  -0.108394   0.028973  -0.241266
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.174620  -0.036649  -0.077905
-    0SOL     H2    2   0.189304  -0.085319  -0.159010
-    0SOL     H3    3   0.250814   0.020781  -0.070250
-    1SOL     O4    4  -0.173986   0.037698   0.078143
-    1SOL     H5    5  -0.228219   0.100019   0.126489
-    1SOL     H6    6  -0.213559  -0.047576   0.096161
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069517   0.016100   0.196003
-    0SOL     H2    2   0.124690   0.089044   0.167763
-    0SOL     H3    3   0.004650   0.006666   0.126250
-    1SOL     O4    4  -0.070766  -0.025973  -0.193761
-    1SOL     H5    5  -0.126819   0.035040  -0.145825
-    1SOL     H6    6   0.014707   0.017032  -0.196472
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.182278   0.002566   0.106161
-    0SOL     H2    2   0.148162  -0.077664   0.145677
-    0SOL     H3    3   0.105358   0.045412   0.068612
-    1SOL     O4    4  -0.178037  -0.004309  -0.111710
-    1SOL     H5    5  -0.187142  -0.030042  -0.019965
-    1SOL     H6    6  -0.136474   0.081855  -0.108457
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006792  -0.068777   0.198648
-    0SOL     H2    2  -0.028229   0.017024   0.174690
-    0SOL     H3    3   0.078886  -0.049394   0.258558
-    1SOL     O4    4  -0.009658   0.068316  -0.201858
-    1SOL     H5    5   0.052565   0.027330  -0.141768
-    1SOL     H6    6  -0.058686  -0.004897  -0.239255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101052  -0.179706   0.018821
-    0SOL     H2    2   0.163473  -0.246279   0.047699
-    0SOL     H3    3   0.033008  -0.228924  -0.027113
-    1SOL     O4    4  -0.101535   0.179495  -0.017769
-    1SOL     H5    5  -0.048262   0.230238   0.043464
-    1SOL     H6    6  -0.138788   0.244810  -0.077000
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.151737  -0.109869   0.110953
-    0SOL     H2    2   0.087801  -0.155805   0.056506
-    0SOL     H3    3   0.192562  -0.178790   0.163350
-    1SOL     O4    4  -0.148813   0.121477  -0.114468
-    1SOL     H5    5  -0.215577   0.114033  -0.046281
-    1SOL     H6    6  -0.112390   0.033289  -0.122121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132395   0.081838   0.158203
-    0SOL     H2    2  -0.151245   0.072867   0.251619
-    0SOL     H3    3  -0.036875   0.085518   0.153240
-    1SOL     O4    4   0.131969  -0.077973  -0.160464
-    1SOL     H5    5   0.076921  -0.142200  -0.115664
-    1SOL     H6    6   0.105913  -0.083984  -0.252373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.185412  -0.038789   0.110977
-    0SOL     H2    2  -0.219308   0.009561   0.186314
-    0SOL     H3    3  -0.263463  -0.072526   0.067021
-    1SOL     O4    4   0.187702   0.035143  -0.115322
-    1SOL     H5    5   0.205704   0.128937  -0.108922
-    1SOL     H6    6   0.263186  -0.006664  -0.073890
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.215547  -0.088466   0.012365
-    0SOL     H2    2   0.223591  -0.101943   0.106790
-    0SOL     H3    3   0.156899  -0.013308   0.003760
-    1SOL     O4    4  -0.218940   0.083813  -0.015174
-    1SOL     H5    5  -0.138886   0.088723   0.037071
-    1SOL     H6    6  -0.190347   0.102099  -0.104675
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.177524  -0.140230   0.063569
-    0SOL     H2    2   0.164396  -0.118997   0.155977
-    0SOL     H3    3   0.171944  -0.055942   0.018550
-    1SOL     O4    4  -0.174754   0.129191  -0.065048
-    1SOL     H5    5  -0.151301   0.183747  -0.140120
-    1SOL     H6    6  -0.233313   0.184059  -0.012869
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140061   0.154829  -0.114080
-    0SOL     H2    2  -0.125672   0.061661  -0.130661
-    0SOL     H3    3  -0.208669   0.157017  -0.047368
-    1SOL     O4    4   0.142600  -0.146491   0.106068
-    1SOL     H5    5   0.217748  -0.190428   0.145876
-    1SOL     H6    6   0.068541  -0.170371   0.161810
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.152503   0.155331  -0.084885
-    0SOL     H2    2   0.103963   0.235560  -0.065660
-    0SOL     H3    3   0.186694   0.168571  -0.173304
-    1SOL     O4    4  -0.158087  -0.157594   0.088549
-    1SOL     H5    5  -0.091007  -0.159377   0.020288
-    1SOL     H6    6  -0.118819  -0.204732   0.162022
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009799   0.205818  -0.111976
-    0SOL     H2    2   0.102604   0.189594  -0.095052
-    0SOL     H3    3   0.007422   0.293253  -0.150859
-    1SOL     O4    4  -0.019789  -0.213996   0.108896
-    1SOL     H5    5   0.069350  -0.180486   0.099220
-    1SOL     H6    6  -0.043388  -0.193640   0.199401
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.212160  -0.112642   0.017967
-    0SOL     H2    2  -0.301448  -0.080257   0.006085
-    0SOL     H3    3  -0.158184  -0.033649   0.020994
-    1SOL     O4    4   0.210106   0.104189  -0.021950
-    1SOL     H5    5   0.296882   0.071128   0.001272
-    1SOL     H6    6   0.197933   0.180958   0.033912
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006426  -0.186365   0.145906
-    0SOL     H2    2   0.044337  -0.155248   0.228106
-    0SOL     H3    3   0.059992  -0.261966   0.121874
-    1SOL     O4    4  -0.014786   0.182664  -0.147697
-    1SOL     H5    5   0.078389   0.183969  -0.169584
-    1SOL     H6    6  -0.040382   0.274886  -0.146210
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.252108  -0.028963  -0.004288
-    0SOL     H2    2  -0.229055  -0.103413   0.051283
-    0SOL     H3    3  -0.168017   0.009666  -0.028758
-    1SOL     O4    4   0.238790   0.030647   0.003848
-    1SOL     H5    5   0.280209   0.039906  -0.081949
-    1SOL     H6    6   0.311617   0.032191   0.065946
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.156283  -0.160628  -0.107789
-    0SOL     H2    2  -0.243131  -0.120384  -0.108241
-    0SOL     H3    3  -0.170350  -0.247646  -0.070475
-    1SOL     O4    4   0.167193   0.159620   0.105685
-    1SOL     H5    5   0.125854   0.200718   0.181609
-    1SOL     H6    6   0.108416   0.179338   0.032754
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.215863  -0.053134   0.128730
-    0SOL     H2    2  -0.162032  -0.044670   0.207425
-    0SOL     H3    3  -0.219395   0.035369   0.092437
-    1SOL     O4    4   0.212439   0.041477  -0.136003
-    1SOL     H5    5   0.154030   0.051970  -0.060899
-    1SOL     H6    6   0.270986   0.117077  -0.131620
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.023487   0.028436   0.258408
-    0SOL     H2    2   0.102966  -0.023487   0.270630
-    0SOL     H3    3   0.030436   0.062304   0.169150
-    1SOL     O4    4  -0.026867  -0.026554  -0.247584
-    1SOL     H5    5  -0.002582   0.025137  -0.324399
-    1SOL     H6    6  -0.082668  -0.096204  -0.282190
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058948   0.209902   0.155999
-    0SOL     H2    2   0.093540   0.167781   0.077313
-    0SOL     H3    3  -0.035085   0.217489   0.139793
-    1SOL     O4    4  -0.061772  -0.207419  -0.153561
-    1SOL     H5    5  -0.041932  -0.242303  -0.066660
-    1SOL     H6    6   0.023287  -0.181549  -0.189029
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.254022  -0.040362   0.068000
-    0SOL     H2    2   0.323881  -0.098308   0.037598
-    0SOL     H3    3   0.231475   0.012323  -0.008670
-    1SOL     O4    4  -0.261081   0.036713  -0.058695
-    1SOL     H5    5  -0.168797   0.054841  -0.040882
-    1SOL     H6    6  -0.282249   0.091803  -0.134056
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.219972  -0.091567   0.140883
-    0SOL     H2    2   0.260741  -0.022654   0.088431
-    0SOL     H3    3   0.173884  -0.146136   0.077161
-    1SOL     O4    4  -0.212968   0.088692  -0.133894
-    1SOL     H5    5  -0.291882   0.037410  -0.116430
-    1SOL     H6    6  -0.245162   0.177192  -0.151032
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.342597  -0.130792  -0.002259
-    0SOL     H2    2  -0.365214  -0.091967  -0.086777
-    0SOL     H3    3  -0.354958  -0.224855  -0.014981
-    1SOL     O4    4   0.344156   0.140537   0.010738
-    1SOL     H5    5   0.393478   0.106475  -0.063891
-    1SOL     H6    6   0.301733   0.063548   0.048622
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039686  -0.066129  -0.381318
-    0SOL     H2    2  -0.099557  -0.110484  -0.441406
-    0SOL     H3    3   0.016149  -0.135973  -0.347164
-    1SOL     O4    4   0.036588   0.069665   0.377341
-    1SOL     H5    5   0.022936   0.160391   0.404631
-    1SOL     H6    6   0.101729   0.035691   0.438699
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007000  -0.136771   0.371810
-    0SOL     H2    2   0.008811  -0.211884   0.314623
-    0SOL     H3    3   0.068820  -0.134682   0.430198
-    1SOL     O4    4   0.001249   0.144300  -0.377371
-    1SOL     H5    5  -0.012621   0.171176  -0.286555
-    1SOL     H6    6   0.024727   0.051679  -0.371670
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062878  -0.442484   0.024727
-    0SOL     H2    2   0.045347  -0.453414  -0.068737
-    0SOL     H3    3   0.083808  -0.349595   0.034517
-    1SOL     O4    4  -0.059140   0.440218  -0.024550
-    1SOL     H5    5  -0.047869   0.446256   0.070312
-    1SOL     H6    6  -0.138710   0.388260  -0.036004
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161570  -0.322784   0.300804
-    0SOL     H2    2  -0.178727  -0.245106   0.247569
-    0SOL     H3    3  -0.181561  -0.396400   0.242982
-    1SOL     O4    4   0.162635   0.323200  -0.300614
-    1SOL     H5    5   0.217868   0.254393  -0.263503
-    1SOL     H6    6   0.131218   0.372312  -0.224698
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000337   0.474576   0.091760
-    0SOL     H2    2  -0.036614   0.392024   0.060420
-    0SOL     H3    3   0.094845   0.464369   0.080519
-    1SOL     O4    4  -0.005978  -0.475800  -0.089660
-    1SOL     H5    5   0.025139  -0.419384  -0.160450
-    1SOL     H6    6  -0.000486  -0.421166  -0.011255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.162571   0.231792  -0.459265
-    0SOL     H2    2  -0.192766   0.182928  -0.382696
-    0SOL     H3    3  -0.144081   0.164583  -0.524866
-    1SOL     O4    4   0.159875  -0.230617   0.458456
-    1SOL     H5    5   0.130166  -0.143013   0.483059
-    1SOL     H6    6   0.252511  -0.219428   0.437110
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.414871  -0.448311  -0.030162
-    0SOL     H2    2   0.478949  -0.395308  -0.077564
-    0SOL     H3    3   0.387297  -0.514771  -0.093289
-    1SOL     O4    4  -0.410831   0.451335   0.035185
-    1SOL     H5    5  -0.441586   0.365027   0.062889
-    1SOL     H6    6  -0.490788   0.502518   0.022959
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/560K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.481729  -0.405994   0.029504
-    0SOL     H2    2  -0.437835  -0.451153  -0.042581
-    0SOL     H3    3  -0.574009  -0.404312   0.004127
-    1SOL     O4    4   0.490018   0.411097  -0.020691
-    1SOL     H5    5   0.472003   0.319870  -0.043394
-    1SOL     H6    6   0.413709   0.459284  -0.052585
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007620  -0.066891   0.102013
-    0SOL     H2    2   0.083464  -0.040318   0.114658
-    0SOL     H3    3  -0.002211  -0.157680   0.072175
-    1SOL     O4    4   0.004499   0.069895  -0.107194
-    1SOL     H5    5  -0.012195   0.008384  -0.035779
-    1SOL     H6    6  -0.030611   0.153224  -0.075794
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054359   0.098094   0.055551
-    0SOL     H2    2  -0.016441   0.163334  -0.003341
-    0SOL     H3    3   0.020830   0.060526   0.101351
-    1SOL     O4    4   0.054196  -0.099651  -0.055938
-    1SOL     H5    5   0.004412  -0.181255  -0.050982
-    1SOL     H6    6  -0.010912  -0.030922  -0.041807
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060305  -0.069803   0.089285
-    0SOL     H2    2  -0.021514  -0.105029   0.124313
-    0SOL     H3    3   0.073370   0.012277   0.136766
-    1SOL     O4    4  -0.053828   0.071636  -0.097971
-    1SOL     H5    5  -0.026827   0.041249  -0.011312
-    1SOL     H6    6  -0.135223   0.024472  -0.115656
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111462  -0.035767  -0.036834
-    0SOL     H2    2  -0.121161  -0.105400  -0.101792
-    0SOL     H3    3  -0.200873  -0.006019  -0.020009
-    1SOL     O4    4   0.120982   0.034206   0.035706
-    1SOL     H5    5   0.025983   0.045401   0.032217
-    1SOL     H6    6   0.149136   0.090418   0.107886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.091306   0.042719   0.093456
-    0SOL     H2    2   0.047605  -0.024806   0.041563
-    0SOL     H3    3   0.046337   0.123889   0.069971
-    1SOL     O4    4  -0.084119  -0.038471  -0.090865
-    1SOL     H5    5  -0.036452  -0.121462  -0.092493
-    1SOL     H6    6  -0.168673  -0.060128  -0.051571
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019890  -0.078488  -0.111898
-    0SOL     H2    2  -0.046687  -0.011393  -0.049108
-    0SOL     H3    3   0.052902  -0.123636  -0.069175
-    1SOL     O4    4   0.012250   0.075410   0.100316
-    1SOL     H5    5   0.009876   0.049611   0.192463
-    1SOL     H6    6   0.091690   0.128192   0.092211
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077359  -0.098610  -0.060861
-    0SOL     H2    2   0.079959  -0.033387   0.009150
-    0SOL     H3    3   0.004521  -0.071139  -0.116559
-    1SOL     O4    4  -0.070290   0.091141   0.052975
-    1SOL     H5    5  -0.116890   0.029280   0.109226
-    1SOL     H6    6  -0.068414   0.172575   0.103248
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054425  -0.110092   0.061232
-    0SOL     H2    2  -0.149127  -0.096203   0.062163
-    0SOL     H3    3  -0.018060  -0.025730   0.034342
-    1SOL     O4    4   0.055191   0.097420  -0.057746
-    1SOL     H5    5   0.044070   0.143451  -0.140932
-    1SOL     H6    6   0.105666   0.157926  -0.003399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047351   0.005842   0.118424
-    0SOL     H2    2  -0.020825  -0.002011   0.185153
-    0SOL     H3    3   0.099184   0.081493   0.145858
-    1SOL     O4    4  -0.049282  -0.005746  -0.124416
-    1SOL     H5    5  -0.008008  -0.040458  -0.045335
-    1SOL     H6    6  -0.028088  -0.069564  -0.192537
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.114114   0.048641   0.040744
-    0SOL     H2    2  -0.150086   0.039799   0.129006
-    0SOL     H3    3  -0.155279  -0.021931  -0.009129
-    1SOL     O4    4   0.119085  -0.049713  -0.044735
-    1SOL     H5    5   0.181871   0.019698  -0.064798
-    1SOL     H6    6   0.051245  -0.006455   0.007118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123753   0.049125   0.051817
-    0SOL     H2    2  -0.169102  -0.033713   0.036212
-    0SOL     H3    3  -0.060021   0.055369  -0.019328
-    1SOL     O4    4   0.117050  -0.045447  -0.047587
-    1SOL     H5    5   0.181072  -0.116559  -0.050131
-    1SOL     H6    6   0.168977   0.032970  -0.029795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110753   0.083989   0.032595
-    0SOL     H2    2  -0.041758   0.018522   0.021818
-    0SOL     H3    3  -0.191321   0.032892   0.040348
-    1SOL     O4    4   0.105376  -0.075732  -0.031455
-    1SOL     H5    5   0.169809  -0.113467   0.028434
-    1SOL     H6    6   0.154538  -0.058284  -0.111711
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.033186   0.137369  -0.021196
-    0SOL     H2    2  -0.038797   0.041833  -0.019262
-    0SOL     H3    3  -0.091851   0.166275   0.048698
-    1SOL     O4    4   0.041138  -0.130300   0.015196
-    1SOL     H5    5   0.006212  -0.213056  -0.017878
-    1SOL     H6    6  -0.011400  -0.111447   0.092956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006070  -0.125835   0.066282
-    0SOL     H2    2  -0.022236  -0.129364  -0.025089
-    0SOL     H3    3   0.101460  -0.119402   0.061623
-    1SOL     O4    4  -0.015132   0.124579  -0.057399
-    1SOL     H5    5  -0.006637   0.182653  -0.133014
-    1SOL     H6    6   0.071840   0.086014  -0.046867
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054040  -0.059107  -0.112295
-    0SOL     H2    2  -0.010904  -0.144114  -0.120980
-    0SOL     H3    3  -0.147128  -0.080090  -0.104770
-    1SOL     O4    4   0.057682   0.071185   0.113567
-    1SOL     H5    5   0.059870  -0.002700   0.174383
-    1SOL     H6    6   0.034163   0.032253   0.029344
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113393  -0.056428   0.066436
-    0SOL     H2    2   0.183777  -0.005252   0.106303
-    0SOL     H3    3   0.057887   0.008580   0.023360
-    1SOL     O4    4  -0.110372   0.055380  -0.064911
-    1SOL     H5    5  -0.088266  -0.023280  -0.114774
-    1SOL     H6    6  -0.200318   0.040740  -0.035624
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134958  -0.055594  -0.007324
-    0SOL     H2    2  -0.046764  -0.021903   0.008456
-    0SOL     H3    3  -0.177724   0.012498  -0.059256
-    1SOL     O4    4   0.127833   0.046980   0.010434
-    1SOL     H5    5   0.171848   0.109667   0.067840
-    1SOL     H6    6   0.184994   0.040239  -0.066048
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031043  -0.000940  -0.136174
-    0SOL     H2    2   0.039338   0.088117  -0.170269
-    0SOL     H3    3  -0.048773  -0.034821  -0.176719
-    1SOL     O4    4  -0.026048  -0.005681   0.146526
-    1SOL     H5    5  -0.090317   0.062805   0.128049
-    1SOL     H6    6   0.022193  -0.016081   0.064508
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109183  -0.048838   0.085223
-    0SOL     H2    2   0.165180  -0.092014   0.020706
-    0SOL     H3    3   0.043707  -0.002502   0.032990
-    1SOL     O4    4  -0.102488   0.052134  -0.077339
-    1SOL     H5    5  -0.166662   0.073273  -0.145141
-    1SOL     H6    6  -0.141498  -0.020894  -0.029304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018950  -0.034485  -0.143392
-    0SOL     H2    2  -0.057813  -0.120313  -0.126493
-    0SOL     H3    3  -0.049510   0.020345  -0.071128
-    1SOL     O4    4   0.015814   0.035348   0.141228
-    1SOL     H5    5   0.061516  -0.008482   0.069446
-    1SOL     H6    6   0.080835   0.095122   0.178129
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125990  -0.028359  -0.075079
-    0SOL     H2    2   0.046729  -0.001874  -0.028403
-    0SOL     H3    3   0.101914  -0.024052  -0.167622
-    1SOL     O4    4  -0.114833   0.029924   0.074370
-    1SOL     H5    5  -0.166391  -0.045170   0.044961
-    1SOL     H6    6  -0.144406   0.045706   0.164028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016236  -0.046706   0.140326
-    0SOL     H2    2   0.053420  -0.016415   0.057488
-    0SOL     H3    3   0.080658  -0.108843   0.174253
-    1SOL     O4    4  -0.017026   0.052654  -0.135813
-    1SOL     H5    5  -0.109731   0.053135  -0.111983
-    1SOL     H6    6  -0.007504  -0.023025  -0.193642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.005826   0.108755  -0.109760
-    0SOL     H2    2   0.086144   0.143533  -0.071005
-    0SOL     H3    3  -0.020784   0.038310  -0.050669
-    1SOL     O4    4  -0.009933  -0.099839   0.100596
-    1SOL     H5    5  -0.015059  -0.185365   0.057919
-    1SOL     H6    6   0.007884  -0.119897   0.192479
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.029015  -0.141852   0.000091
-    0SOL     H2    2   0.089946  -0.169879  -0.068204
-    0SOL     H3    3  -0.011554  -0.222927   0.030803
-    1SOL     O4    4  -0.025529   0.151801   0.004092
-    1SOL     H5    5  -0.046444   0.060906   0.025610
-    1SOL     H6    6  -0.096248   0.179561  -0.054137
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031349  -0.061559  -0.130885
-    0SOL     H2    2   0.060898  -0.046863  -0.151785
-    0SOL     H3    3  -0.045204  -0.154772  -0.147668
-    1SOL     O4    4   0.020538   0.065033   0.133056
-    1SOL     H5    5   0.068581   0.126392   0.077474
-    1SOL     H6    6   0.086563   0.030142   0.192936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102487   0.103800  -0.023715
-    0SOL     H2    2   0.171200   0.119620   0.041019
-    0SOL     H3    3   0.147964   0.063324  -0.097580
-    1SOL     O4    4  -0.106364  -0.108029   0.025568
-    1SOL     H5    5  -0.193054  -0.082139  -0.005685
-    1SOL     H6    6  -0.057081  -0.026103   0.030236
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046038  -0.087858   0.107436
-    0SOL     H2    2   0.090883  -0.161097   0.149712
-    0SOL     H3    3  -0.013561  -0.054325   0.174413
-    1SOL     O4    4  -0.049297   0.094120  -0.116520
-    1SOL     H5    5   0.044902   0.109236  -0.108757
-    1SOL     H6    6  -0.063608   0.009533  -0.074063
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.042505  -0.044083  -0.143124
-    0SOL     H2    2   0.008635  -0.007254  -0.061523
-    0SOL     H3    3   0.039589   0.028632  -0.205304
-    1SOL     O4    4  -0.035294   0.033173   0.144087
-    1SOL     H5    5  -0.125036   0.007269   0.123164
-    1SOL     H6    6  -0.033947   0.127950   0.130757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126005  -0.074693  -0.051402
-    0SOL     H2    2   0.086521   0.009256  -0.027826
-    0SOL     H3    3   0.167141  -0.058848  -0.136367
-    1SOL     O4    4  -0.123729   0.072260   0.049647
-    1SOL     H5    5  -0.101372  -0.013851   0.084965
-    1SOL     H6    6  -0.191373   0.105561   0.108619
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078480  -0.107945   0.066394
-    0SOL     H2    2  -0.108630  -0.195223   0.091613
-    0SOL     H3    3  -0.068521  -0.061116   0.149281
-    1SOL     O4    4   0.084908   0.107358  -0.073316
-    1SOL     H5    5   0.063523   0.200341  -0.081015
-    1SOL     H6    6   0.003053   0.066111  -0.045734
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130330  -0.011719   0.076617
-    0SOL     H2    2  -0.104837   0.067462   0.123976
-    0SOL     H3    3  -0.210835   0.012548   0.030875
-    1SOL     O4    4   0.139860   0.006697  -0.079110
-    1SOL     H5    5   0.108082   0.005640   0.011175
-    1SOL     H6    6   0.060438   0.005444  -0.132523
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137742   0.056043  -0.018915
-    0SOL     H2    2  -0.218906   0.041178   0.029601
-    0SOL     H3    3  -0.160925   0.121210  -0.085082
-    1SOL     O4    4   0.143561  -0.063011   0.024913
-    1SOL     H5    5   0.208104   0.001717  -0.003493
-    1SOL     H6    6   0.071137  -0.053425  -0.036936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015228   0.130605   0.076260
-    0SOL     H2    2  -0.079501   0.133103   0.062756
-    0SOL     H3    3   0.031902   0.198239   0.141910
-    1SOL     O4    4  -0.012754  -0.137563  -0.072994
-    1SOL     H5    5  -0.027482  -0.044941  -0.092140
-    1SOL     H6    6   0.026812  -0.172573  -0.152813
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009392  -0.141264   0.072044
-    0SOL     H2    2  -0.063550  -0.161222   0.130725
-    0SOL     H3    3  -0.028553  -0.084351   0.005086
-    1SOL     O4    4   0.000569   0.133117  -0.069863
-    1SOL     H5    5   0.012907   0.189201  -0.146444
-    1SOL     H6    6  -0.071371   0.173856  -0.021621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035851   0.109163  -0.105138
-    0SOL     H2    2  -0.034512   0.025355  -0.151363
-    0SOL     H3    3  -0.089565   0.166101  -0.160231
-    1SOL     O4    4   0.037962  -0.110393   0.104359
-    1SOL     H5    5   0.075368  -0.145521   0.185163
-    1SOL     H6    6   0.007674  -0.022739   0.128057
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041302   0.161007   0.014780
-    0SOL     H2    2  -0.046720   0.090260  -0.049467
-    0SOL     H3    3   0.004071   0.122105   0.089548
-    1SOL     O4    4   0.041767  -0.149024  -0.012257
-    1SOL     H5    5  -0.049514  -0.163717  -0.037041
-    1SOL     H6    6   0.087059  -0.229010  -0.038961
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.163372   0.004820  -0.023666
-    0SOL     H2    2   0.067721   0.007005  -0.020741
-    0SOL     H3    3   0.188579  -0.046128   0.053349
-    1SOL     O4    4  -0.153548  -0.001877   0.021732
-    1SOL     H5    5  -0.215600  -0.074729   0.023841
-    1SOL     H6    6  -0.198297   0.066320  -0.028359
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027718  -0.053691   0.148140
-    0SOL     H2    2  -0.009944  -0.128561   0.101897
-    0SOL     H3    3   0.118664  -0.078765   0.164341
-    1SOL     O4    4  -0.037334   0.060268  -0.147384
-    1SOL     H5    5   0.019426   0.094717  -0.078435
-    1SOL     H6    6   0.020412   0.006098  -0.201173
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075040   0.002449   0.136815
-    0SOL     H2    2  -0.090822  -0.077175   0.187543
-    0SOL     H3    3  -0.062598   0.070790   0.202671
-    1SOL     O4    4   0.079864   0.003299  -0.143638
-    1SOL     H5    5   0.070034  -0.073304  -0.200187
-    1SOL     H6    6   0.010523  -0.006037  -0.078316
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000260  -0.145141   0.081112
-    0SOL     H2    2   0.020158  -0.131276   0.173709
-    0SOL     H3    3  -0.009811  -0.056960   0.045265
-    1SOL     O4    4  -0.005111   0.136692  -0.080020
-    1SOL     H5    5   0.076588   0.100962  -0.114820
-    1SOL     H6    6  -0.017614   0.218778  -0.127641
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015243   0.015959  -0.166449
-    0SOL     H2    2   0.078454   0.087335  -0.157956
-    0SOL     H3    3   0.031702  -0.039845  -0.090441
-    1SOL     O4    4  -0.017120  -0.020207   0.157206
-    1SOL     H5    5  -0.031394  -0.043369   0.248978
-    1SOL     H6    6  -0.048479   0.069947   0.150052
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097577   0.101971  -0.074536
-    0SOL     H2    2  -0.190845   0.088166  -0.091053
-    0SOL     H3    3  -0.060349   0.120109  -0.160834
-    1SOL     O4    4   0.104017  -0.104791   0.075697
-    1SOL     H5    5   0.124991  -0.094100   0.168477
-    1SOL     H6    6   0.018132  -0.063749   0.065624
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104354  -0.115630   0.069936
-    0SOL     H2    2   0.015972  -0.137973   0.040751
-    0SOL     H3    3   0.099583  -0.022576   0.091856
-    1SOL     O4    4  -0.096180   0.107296  -0.070279
-    1SOL     H5    5  -0.188341   0.124335  -0.089730
-    1SOL     H6    6  -0.064016   0.189275  -0.032766
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059113   0.128441  -0.092047
-    0SOL     H2    2   0.009905   0.164934  -0.165594
-    0SOL     H3    3   0.010344   0.049933  -0.067139
-    1SOL     O4    4  -0.047608  -0.123274   0.095361
-    1SOL     H5    5  -0.075720  -0.180360   0.023853
-    1SOL     H6    6  -0.124408  -0.116234   0.152058
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070273   0.142109   0.036535
-    0SOL     H2    2   0.009394   0.193841   0.024730
-    0SOL     H3    3  -0.118829   0.188105   0.105011
-    1SOL     O4    4   0.068150  -0.153212  -0.036683
-    1SOL     H5    5   0.111291  -0.072604  -0.008337
-    1SOL     H6    6   0.034167  -0.132879  -0.123827
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.143570  -0.043988   0.080504
-    0SOL     H2    2  -0.048850  -0.048495   0.093546
-    0SOL     H3    3  -0.180677  -0.072741   0.163923
-    1SOL     O4    4   0.139977   0.050262  -0.080696
-    1SOL     H5    5   0.067334   0.002311  -0.120524
-    1SOL     H6    6   0.216494   0.025270  -0.132492
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032529  -0.171805  -0.004751
-    0SOL     H2    2   0.022991  -0.076606  -0.001841
-    0SOL     H3    3   0.098756  -0.187240  -0.072116
-    1SOL     O4    4  -0.029557   0.165975   0.010803
-    1SOL     H5    5  -0.063306   0.145214  -0.076331
-    1SOL     H6    6  -0.101650   0.211575   0.054225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093445  -0.026998   0.137223
-    0SOL     H2    2  -0.165177  -0.023173   0.200486
-    0SOL     H3    3  -0.037420   0.047211   0.159950
-    1SOL     O4    4   0.099637   0.022811  -0.138771
-    1SOL     H5    5   0.011421   0.037555  -0.104668
-    1SOL     H6    6   0.086804   0.006271  -0.232173
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084166  -0.146055  -0.016463
-    0SOL     H2    2   0.130590  -0.165537  -0.097873
-    0SOL     H3    3   0.152673  -0.117515   0.043990
-    1SOL     O4    4  -0.085662   0.150736   0.015724
-    1SOL     H5    5  -0.073905   0.056135   0.007086
-    1SOL     H6    6  -0.172548   0.160668   0.054641
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038896  -0.141429  -0.101843
-    0SOL     H2    2   0.012683  -0.089222  -0.040391
-    0SOL     H3    3  -0.069523  -0.078410  -0.167057
-    1SOL     O4    4   0.041162   0.133884   0.095878
-    1SOL     H5    5  -0.051395   0.153734   0.110071
-    1SOL     H6    6   0.079369   0.133555   0.183641
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069363  -0.163662   0.026229
-    0SOL     H2    2   0.056191  -0.074635   0.058833
-    0SOL     H3    3  -0.015774  -0.206040   0.037095
-    1SOL     O4    4  -0.060340   0.165794  -0.025955
-    1SOL     H5    5  -0.048248   0.073044  -0.046295
-    1SOL     H6    6  -0.151784   0.183482  -0.048032
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016693  -0.124171  -0.125112
-    0SOL     H2    2  -0.070282  -0.056823  -0.083222
-    0SOL     H3    3  -0.073426  -0.201181  -0.128717
-    1SOL     O4    4   0.017510   0.120330   0.121578
-    1SOL     H5    5   0.010744   0.215715   0.125860
-    1SOL     H6    6   0.108111   0.101573   0.146113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109309   0.132068  -0.008949
-    0SOL     H2    2   0.166678   0.174635   0.054764
-    0SOL     H3    3   0.067612   0.204392  -0.055778
-    1SOL     O4    4  -0.115385  -0.136562   0.009806
-    1SOL     H5    5  -0.029130  -0.106010   0.037894
-    1SOL     H6    6  -0.096904  -0.201907  -0.057654
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.029802  -0.158172   0.060084
-    0SOL     H2    2  -0.032455  -0.253801   0.056851
-    0SOL     H3    3  -0.098609  -0.134342   0.122212
-    1SOL     O4    4   0.039243   0.165590  -0.064571
-    1SOL     H5    5   0.030816   0.077993  -0.026912
-    1SOL     H6    6  -0.050526   0.191520  -0.085342
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.018536   0.011987   0.175470
-    0SOL     H2    2   0.025407  -0.078733   0.145722
-    0SOL     H3    3   0.093628   0.023930   0.233615
-    1SOL     O4    4  -0.028741  -0.007174  -0.174738
-    1SOL     H5    5  -0.005029  -0.057320  -0.252747
-    1SOL     H6    6   0.054727   0.024751  -0.140441
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-    6
-    0SOL     O1    1   0.146986  -0.020268   0.111593
-    0SOL     H2    2   0.139311   0.027115   0.028778
-    0SOL     H3    3   0.060545  -0.012265   0.151920
-    1SOL     O4    4  -0.141651   0.021343  -0.104520
-    1SOL     H5    5  -0.091566   0.019944  -0.186079
-    1SOL     H6    6  -0.195992  -0.057362  -0.108375
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.076029   0.018397  -0.163347
-    0SOL     H2    2  -0.027097   0.100116  -0.153867
-    0SOL     H3    3  -0.011811  -0.044308  -0.196611
-    1SOL     O4    4   0.077135  -0.019467   0.163828
-    1SOL     H5    5   0.009997  -0.046300   0.101100
-    1SOL     H6    6   0.027921   0.012693   0.239366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.068642   0.173427  -0.011752
-    0SOL     H2    2  -0.108109   0.132784   0.065403
-    0SOL     H3    3  -0.094068   0.116605  -0.084464
-    1SOL     O4    4   0.074937  -0.164487   0.006164
-    1SOL     H5    5   0.063348  -0.259116   0.014729
-    1SOL     H6    6   0.040012  -0.128552   0.087719
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.112795  -0.041268  -0.147873
-    0SOL     H2    2  -0.027742  -0.060280  -0.187456
-    0SOL     H3    3  -0.101699   0.044710  -0.107291
-    1SOL     O4    4   0.112597   0.041822   0.146415
-    1SOL     H5    5   0.075300   0.018830   0.231519
-    1SOL     H6    6   0.064947  -0.012698   0.083810
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028682   0.160896  -0.096813
-    0SOL     H2    2  -0.053591   0.153257  -0.004707
-    0SOL     H3    3  -0.087274   0.227891  -0.132042
-    1SOL     O4    4   0.027383  -0.167499   0.096412
-    1SOL     H5    5   0.087930  -0.113011   0.146685
-    1SOL     H6    6   0.056279  -0.158028   0.005651
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099111   0.152269  -0.039860
-    0SOL     H2    2  -0.102037   0.158229  -0.135349
-    0SOL     H3    3  -0.090870   0.242967  -0.010394
-    1SOL     O4    4   0.099895  -0.164172   0.040070
-    1SOL     H5    5   0.162136  -0.125497   0.101654
-    1SOL     H6    6   0.024935  -0.104656   0.041153
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092717   0.153330   0.073154
-    0SOL     H2    2   0.171215   0.099685   0.084229
-    0SOL     H3    3   0.113423   0.211322  -0.000130
-    1SOL     O4    4  -0.098525  -0.147551  -0.073196
-    1SOL     H5    5  -0.138378  -0.231376  -0.096592
-    1SOL     H6    6  -0.055991  -0.163865   0.010988
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.147717  -0.041546  -0.136482
-    0SOL     H2    2  -0.168119  -0.134551  -0.146286
-    0SOL     H3    3  -0.057875  -0.040033  -0.103490
-    1SOL     O4    4   0.138135   0.044582   0.134991
-    1SOL     H5    5   0.183855   0.078532   0.058053
-    1SOL     H6    6   0.195132   0.066920   0.208575
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.192376  -0.073442   0.000889
-    0SOL     H2    2   0.241981  -0.032416  -0.069952
-    0SOL     H3    3   0.166294  -0.000596   0.057241
-    1SOL     O4    4  -0.195207   0.065249  -0.005829
-    1SOL     H5    5  -0.189970   0.157313   0.019842
-    1SOL     H6    6  -0.170050   0.016921   0.072872
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.143657  -0.006515  -0.163991
-    0SOL     H2    2  -0.090587  -0.032697  -0.088755
-    0SOL     H3    3  -0.098990   0.070454  -0.199246
-    1SOL     O4    4   0.141954   0.001921   0.166795
-    1SOL     H5    5   0.140807  -0.040941   0.081215
-    1SOL     H6    6   0.068701   0.063462   0.163796
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.065936   0.137220  -0.146458
-    0SOL     H2    2  -0.131028   0.207353  -0.143885
-    0SOL     H3    3  -0.117160   0.056666  -0.139422
-    1SOL     O4    4   0.077078  -0.135916   0.140987
-    1SOL     H5    5   0.003745  -0.078536   0.163172
-    1SOL     H6    6   0.068879  -0.209761   0.201337
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.187884  -0.093495   0.068262
-    0SOL     H2    2  -0.241621  -0.060833  -0.003903
-    0SOL     H3    3  -0.169910  -0.016152   0.121716
-    1SOL     O4    4   0.185078   0.089919  -0.071273
-    1SOL     H5    5   0.273991   0.122429  -0.057134
-    1SOL     H6    6   0.177978   0.013691  -0.013817
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.201187  -0.073271   0.072281
-    0SOL     H2    2   0.126101  -0.111942   0.117324
-    0SOL     H3    3   0.186773   0.021164   0.078329
-    1SOL     O4    4  -0.202296   0.073685  -0.073370
-    1SOL     H5    5  -0.159089   0.005951  -0.021335
-    1SOL     H6    6  -0.147880   0.082169  -0.151659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123045   0.125388  -0.146673
-    0SOL     H2    2   0.039746   0.156957  -0.181701
-    0SOL     H3    3   0.113956   0.133941  -0.051770
-    1SOL     O4    4  -0.117588  -0.128519   0.150071
-    1SOL     H5    5  -0.053812  -0.164193   0.088246
-    1SOL     H6    6  -0.179904  -0.080712   0.095357
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.169394   0.078735   0.136256
-    0SOL     H2    2  -0.203810  -0.002064   0.098186
-    0SOL     H3    3  -0.109973   0.049326   0.205296
-    1SOL     O4    4   0.167834  -0.078220  -0.136490
-    1SOL     H5    5   0.188676   0.000031  -0.085452
-    1SOL     H6    6   0.144097  -0.044829  -0.223000
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.149937  -0.170794  -0.056007
-    0SOL     H2    2  -0.153613  -0.141399   0.035013
-    0SOL     H3    3  -0.172356  -0.093109  -0.107239
-    1SOL     O4    4   0.146860   0.160096   0.054866
-    1SOL     H5    5   0.151621   0.222481  -0.017575
-    1SOL     H6    6   0.217211   0.186671   0.114086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.175251   0.113603  -0.101339
-    0SOL     H2    2  -0.150892   0.164883  -0.024272
-    0SOL     H3    3  -0.255747   0.154607  -0.132986
-    1SOL     O4    4   0.175530  -0.113081   0.097847
-    1SOL     H5    5   0.220086  -0.146461   0.175711
-    1SOL     H6    6   0.180737  -0.184769   0.034632
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046557  -0.183848  -0.142350
-    0SOL     H2    2   0.137320  -0.153845  -0.137421
-    0SOL     H3    3   0.049412  -0.274214  -0.110916
-    1SOL     O4    4  -0.047374   0.192319   0.138875
-    1SOL     H5    5  -0.107377   0.158966   0.072170
-    1SOL     H6    6  -0.076031   0.150433   0.220033
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062217  -0.233350   0.012685
-    0SOL     H2    2   0.010803  -0.172719   0.000262
-    0SOL     H3    3  -0.021504  -0.313567   0.045398
-    1SOL     O4    4   0.058924   0.230225  -0.012190
-    1SOL     H5    5   0.049219   0.259820  -0.102701
-    1SOL     H6    6   0.007191   0.292357   0.039052
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.205531   0.137257   0.008920
-    0SOL     H2    2   0.187959   0.072830  -0.059656
-    0SOL     H3    3   0.195802   0.088501   0.090716
-    1SOL     O4    4  -0.202765  -0.127993  -0.002522
-    1SOL     H5    5  -0.136664  -0.149600  -0.068296
-    1SOL     H6    6  -0.286334  -0.144894  -0.046028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.246568   0.054781  -0.016383
-    0SOL     H2    2  -0.152826   0.035694  -0.013132
-    0SOL     H3    3  -0.273776   0.026626  -0.103729
-    1SOL     O4    4   0.246498  -0.053276   0.026903
-    1SOL     H5    5   0.263792   0.009074  -0.043636
-    1SOL     H6    6   0.167307  -0.099406  -0.000721
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015162  -0.266162  -0.024965
-    0SOL     H2    2   0.037666  -0.175818  -0.002743
-    0SOL     H3    3  -0.036416  -0.297062   0.049515
-    1SOL     O4    4  -0.015177   0.262572   0.026417
-    1SOL     H5    5   0.073259   0.266216  -0.010026
-    1SOL     H6    6  -0.072753   0.265183  -0.050005
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.095968   0.214877  -0.135894
-    0SOL     H2    2  -0.190841   0.202231  -0.137082
-    0SOL     H3    3  -0.063198   0.145327  -0.078875
-    1SOL     O4    4   0.101439  -0.206608   0.127577
-    1SOL     H5    5   0.147202  -0.281457   0.165861
-    1SOL     H6    6   0.021066  -0.198772   0.178970
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097046  -0.117102   0.247983
-    0SOL     H2    2   0.084403  -0.063654   0.169588
-    0SOL     H3    3   0.099258  -0.207132   0.215549
-    1SOL     O4    4  -0.092805   0.125005  -0.239749
-    1SOL     H5    5  -0.118055   0.054863  -0.179709
-    1SOL     H6    6  -0.126911   0.097254  -0.324773
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.282716   0.011302   0.050251
-    0SOL     H2    2   0.346344   0.040640  -0.014964
-    0SOL     H3    3   0.231110   0.089397   0.070257
-    1SOL     O4    4  -0.280663  -0.012040  -0.044648
-    1SOL     H5    5  -0.268080  -0.038445  -0.135790
-    1SOL     H6    6  -0.339259  -0.078430  -0.008300
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065046  -0.225675  -0.157633
-    0SOL     H2    2   0.088603  -0.196795  -0.245800
-    0SOL     H3    3   0.042083  -0.318024  -0.167963
-    1SOL     O4    4  -0.067292   0.232390   0.167372
-    1SOL     H5    5   0.021714   0.224034   0.133161
-    1SOL     H6    6  -0.119369   0.172734   0.113601
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.275199  -0.032951   0.095254
-    0SOL     H2    2  -0.312316   0.051701   0.070378
-    0SOL     H3    3  -0.317627  -0.054266   0.178368
-    1SOL     O4    4   0.282000   0.030527  -0.104239
-    1SOL     H5    5   0.194536  -0.003750  -0.085872
-    1SOL     H6    6   0.320661   0.045157  -0.017904
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.022873  -0.260485   0.157876
-    0SOL     H2    2  -0.047197  -0.195766   0.149881
-    0SOL     H3    3   0.005418  -0.323511   0.087980
-    1SOL     O4    4  -0.024528   0.262470  -0.153357
-    1SOL     H5    5   0.004245   0.171335  -0.148001
-    1SOL     H6    6   0.055365   0.311808  -0.171936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.194399   0.199105   0.141108
-    0SOL     H2    2  -0.270429   0.147181   0.167293
-    0SOL     H3    3  -0.226376   0.254102   0.069588
-    1SOL     O4    4   0.200336  -0.199496  -0.144690
-    1SOL     H5    5   0.264143  -0.157342  -0.087123
-    1SOL     H6    6   0.135049  -0.236399  -0.085207
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006523   0.313551   0.097675
-    0SOL     H2    2   0.013247   0.311744   0.002208
-    0SOL     H3    3  -0.087583   0.315468   0.115073
-    1SOL     O4    4   0.003037  -0.308897  -0.091764
-    1SOL     H5    5  -0.076736  -0.331435  -0.043904
-    1SOL     H6    6   0.002144  -0.366360  -0.168311
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102954  -0.115220   0.304930
-    0SOL     H2    2   0.051745  -0.055691   0.359667
-    0SOL     H3    3   0.192364  -0.107516   0.338231
-    1SOL     O4    4  -0.103684   0.105789  -0.312339
-    1SOL     H5    5  -0.065963   0.148079  -0.235196
-    1SOL     H6    6  -0.170704   0.166935  -0.342865
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102056   0.156698  -0.341002
-    0SOL     H2    2   0.032050   0.184741  -0.399953
-    0SOL     H3    3   0.182486   0.187006  -0.383130
-    1SOL     O4    4  -0.106402  -0.165707   0.347674
-    1SOL     H5    5  -0.132656  -0.074140   0.338264
-    1SOL     H6    6  -0.010759  -0.163708   0.344398
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.260812  -0.200924  -0.266062
-    0SOL     H2    2  -0.266019  -0.105429  -0.262086
-    0SOL     H3    3  -0.272242  -0.229379  -0.175387
-    1SOL     O4    4   0.261887   0.197648   0.267530
-    1SOL     H5    5   0.220866   0.133075   0.209997
-    1SOL     H6    6   0.301324   0.261298   0.207900
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.312680  -0.305474  -0.185666
-    0SOL     H2    2  -0.257705  -0.245990  -0.134659
-    0SOL     H3    3  -0.357771  -0.248773  -0.248229
-    1SOL     O4    4   0.307679   0.300726   0.189720
-    1SOL     H5    5   0.394852   0.333936   0.168266
-    1SOL     H6    6   0.305922   0.212385   0.152908
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/570K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.383716  -0.453614  -0.039697
-    0SOL     H2    2   0.465528  -0.485515  -0.001599
-    0SOL     H3    3   0.389046  -0.358378  -0.031693
-    1SOL     O4    4  -0.384661   0.451169   0.032372
-    1SOL     H5    5  -0.365968   0.415474   0.119198
-    1SOL     H6    6  -0.480176   0.456092   0.028503
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-    6
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-    0SOL     H2    2   0.015200  -0.039575  -0.019372
-    0SOL     H3    3  -0.018658  -0.180199  -0.064067
-    1SOL     O4    4   0.052065   0.103761   0.016153
-    1SOL     H5    5   0.023623   0.153289  -0.060660
-    1SOL     H6    6  -0.016173   0.119425   0.081426
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-    6
-    0SOL     O1    1   0.088200   0.009713   0.085958
-    0SOL     H2    2   0.049760   0.055778   0.160541
-    0SOL     H3    3   0.113193  -0.075835   0.120878
-    1SOL     O4    4  -0.090147  -0.005643  -0.098212
-    1SOL     H5    5  -0.009980   0.025825  -0.056436
-    1SOL     H6    6  -0.125715  -0.069744  -0.036662
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.093362   0.022884   0.092193
-    0SOL     H2    2   0.053921   0.017693   0.179255
-    0SOL     H3    3   0.019645   0.013537   0.031855
-    1SOL     O4    4  -0.084361  -0.026618  -0.089528
-    1SOL     H5    5  -0.077687  -0.026941  -0.185014
-    1SOL     H6    6  -0.131928   0.053887  -0.069067
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.089393  -0.082504   0.028359
-    0SOL     H2    2  -0.037731  -0.162281   0.017005
-    0SOL     H3    3  -0.139367  -0.097494   0.108610
-    1SOL     O4    4   0.092757   0.086838  -0.038227
-    1SOL     H5    5   0.098594   0.169944   0.008908
-    1SOL     H6    6   0.025992   0.037099   0.009005
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.089115   0.041366  -0.096160
-    0SOL     H2    2  -0.015347   0.032522  -0.035808
-    0SOL     H3    3  -0.072235  -0.023623  -0.164379
-    1SOL     O4    4   0.082108  -0.035526   0.091199
-    1SOL     H5    5   0.061449  -0.115429   0.139686
-    1SOL     H6    6   0.142135   0.012375   0.148335
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.083781   0.039424   0.100553
-    0SOL     H2    2  -0.052512   0.051600   0.190199
-    0SOL     H3    3  -0.005548   0.049329   0.046296
-    1SOL     O4    4   0.082042  -0.037146  -0.098226
-    1SOL     H5    5   0.003489  -0.085237  -0.072167
-    1SOL     H6    6   0.085980  -0.047341  -0.193320
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.081988  -0.014074   0.099612
-    0SOL     H2    2   0.164651   0.030821   0.117320
-    0SOL     H3    3   0.041167  -0.024004   0.185620
-    1SOL     O4    4  -0.084324   0.008168  -0.111479
-    1SOL     H5    5  -0.133408   0.088889  -0.096079
-    1SOL     H6    6  -0.038165  -0.007923  -0.029182
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.067407  -0.099179  -0.078265
-    0SOL     H2    2  -0.043331  -0.120366   0.011922
-    0SOL     H3    3  -0.026433  -0.014252  -0.094723
-    1SOL     O4    4   0.060776   0.089307   0.074144
-    1SOL     H5    5   0.071115   0.155246   0.142755
-    1SOL     H6    6   0.097890   0.130071  -0.004107
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.076872   0.080382  -0.089757
-    0SOL     H2    2   0.021148   0.054537  -0.016345
-    0SOL     H3    3   0.143576   0.011898  -0.094526
-    1SOL     O4    4  -0.077231  -0.079064   0.080198
-    1SOL     H5    5  -0.016797  -0.066711   0.153393
-    1SOL     H6    6  -0.144514  -0.012211   0.093084
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.019863   0.061487  -0.118360
-    0SOL     H2    2  -0.059988   0.024667  -0.156181
-    0SOL     H3    3   0.086345   0.049325  -0.186143
-    1SOL     O4    4  -0.015376  -0.060867   0.129079
-    1SOL     H5    5  -0.110889  -0.054977   0.126870
-    1SOL     H6    6   0.012627  -0.028939   0.043296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016085  -0.057510  -0.126736
-    0SOL     H2    2   0.045389  -0.147463  -0.112177
-    0SOL     H3    3   0.096661  -0.005845  -0.127491
-    1SOL     O4    4  -0.016338   0.058130   0.128703
-    1SOL     H5    5  -0.055867   0.020132   0.050243
-    1SOL     H6    6  -0.078688   0.125018   0.157000
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.084376   0.081030  -0.067739
-    0SOL     H2    2  -0.126936   0.164123  -0.046609
-    0SOL     H3    3  -0.086597   0.076556  -0.163329
-    1SOL     O4    4   0.090416  -0.086457   0.077860
-    1SOL     H5    5   0.038555  -0.009964   0.052926
-    1SOL     H6    6   0.084440  -0.145119   0.002459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103768  -0.061122   0.077431
-    0SOL     H2    2  -0.061500   0.009425   0.028452
-    0SOL     H3    3  -0.181687  -0.020583   0.115478
-    1SOL     O4    4   0.101547   0.055869  -0.072102
-    1SOL     H5    5   0.143734  -0.024945  -0.101284
-    1SOL     H6    6   0.135942   0.123375  -0.130602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065694  -0.064910   0.115766
-    0SOL     H2    2  -0.015201  -0.021186   0.089186
-    0SOL     H3    3   0.124378  -0.054398   0.040879
-    1SOL     O4    4  -0.063817   0.059554  -0.103812
-    1SOL     H5    5  -0.042828   0.018591  -0.187740
-    1SOL     H6    6  -0.102572   0.143871  -0.127286
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.097058  -0.056357   0.092411
-    0SOL     H2    2  -0.038825  -0.044968   0.017301
-    0SOL     H3    3  -0.164530  -0.116817   0.061516
-    1SOL     O4    4   0.094324   0.056243  -0.083465
-    1SOL     H5    5   0.102869   0.052933  -0.178746
-    1SOL     H6    6   0.157627   0.122573  -0.055983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056357   0.073778  -0.103479
-    0SOL     H2    2   0.109048   0.097600  -0.179757
-    0SOL     H3    3   0.095811   0.122241  -0.030974
-    1SOL     O4    4  -0.064945  -0.072237   0.106580
-    1SOL     H5    5  -0.031385  -0.078321   0.017143
-    1SOL     H6    6  -0.033285  -0.151696   0.149549
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101631   0.026221  -0.097891
-    0SOL     H2    2  -0.056966   0.020043  -0.182325
-    0SOL     H3    3  -0.092735   0.118138  -0.072703
-    1SOL     O4    4   0.095850  -0.028168   0.105440
-    1SOL     H5    5   0.064607  -0.094492   0.043899
-    1SOL     H6    6   0.187233  -0.013771   0.080859
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086163   0.101567  -0.062233
-    0SOL     H2    2  -0.064185   0.049602   0.015090
-    0SOL     H3    3  -0.069543   0.192065  -0.035846
-    1SOL     O4    4   0.081067  -0.108142   0.052488
-    1SOL     H5    5   0.125865  -0.026246   0.031309
-    1SOL     H6    6   0.088993  -0.115940   0.147560
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.114609  -0.011883   0.091144
-    0SOL     H2    2   0.149749  -0.095462   0.121838
-    0SOL     H3    3   0.051010  -0.035886   0.023755
-    1SOL     O4    4  -0.108138   0.017966  -0.085108
-    1SOL     H5    5  -0.170179  -0.049688  -0.112242
-    1SOL     H6    6  -0.135738   0.096310  -0.132677
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.034592   0.077649  -0.122280
-    0SOL     H2    2   0.017888   0.005082  -0.062136
-    0SOL     H3    3   0.121419   0.059504  -0.158253
-    1SOL     O4    4  -0.043639  -0.068902   0.116686
-    1SOL     H5    5  -0.024050  -0.162016   0.127100
-    1SOL     H6    6   0.018202  -0.024714   0.174870
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.123749   0.058175  -0.050455
-    0SOL     H2    2   0.102739   0.047908  -0.143275
-    0SOL     H3    3   0.082136   0.140658  -0.025411
-    1SOL     O4    4  -0.121275  -0.058465   0.048789
-    1SOL     H5    5  -0.184096  -0.117520   0.090362
-    1SOL     H6    6  -0.042435  -0.065548   0.102608
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.013472  -0.150171   0.026975
-    0SOL     H2    2   0.000693  -0.059058   0.053382
-    0SOL     H3    3   0.024433  -0.146308  -0.068037
-    1SOL     O4    4  -0.010274   0.141296  -0.028264
-    1SOL     H5    5  -0.096777   0.182219  -0.030470
-    1SOL     H6    6   0.020489   0.155019   0.061333
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.123201   0.072524   0.024973
-    0SOL     H2    2   0.108367   0.167079   0.026241
-    0SOL     H3    3   0.187714   0.059282  -0.044490
-    1SOL     O4    4  -0.133047  -0.080045  -0.021043
-    1SOL     H5    5  -0.072618  -0.063514  -0.093413
-    1SOL     H6    6  -0.087681  -0.046442   0.056255
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.127217   0.031061  -0.061936
-    0SOL     H2    2  -0.221864   0.025741  -0.075203
-    0SOL     H3    3  -0.090154   0.022531  -0.149776
-    1SOL     O4    4   0.133710  -0.033903   0.071262
-    1SOL     H5    5   0.148611  -0.007106  -0.019415
-    1SOL     H6    6   0.051867   0.009200   0.095883
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.052266  -0.063354   0.129377
-    0SOL     H2    2  -0.000739  -0.057335   0.208854
-    0SOL     H3    3   0.004372  -0.011638   0.064616
-    1SOL     O4    4  -0.045603   0.056427  -0.124564
-    1SOL     H5    5   0.000280   0.031628  -0.204826
-    1SOL     H6    6  -0.090451   0.138017  -0.146789
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.118975  -0.083855   0.018611
-    0SOL     H2    2   0.201886  -0.131049   0.026403
-    0SOL     H3    3   0.052404  -0.148061   0.043273
-    1SOL     O4    4  -0.121138   0.096211  -0.019746
-    1SOL     H5    5  -0.034082   0.058683  -0.032980
-    1SOL     H6    6  -0.179894   0.020657  -0.018426
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.110956  -0.063070  -0.069607
-    0SOL     H2    2  -0.200767  -0.065068  -0.102656
-    0SOL     H3    3  -0.069697  -0.140672  -0.107527
-    1SOL     O4    4   0.117477   0.072224   0.076434
-    1SOL     H5    5   0.147572   0.001197   0.019761
-    1SOL     H6    6   0.022815   0.059479   0.082671
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.064308  -0.135255  -0.010262
-    0SOL     H2    2   0.065306  -0.143499   0.085097
-    0SOL     H3    3   0.156346  -0.141340  -0.035841
-    1SOL     O4    4  -0.076585   0.134289   0.005085
-    1SOL     H5    5  -0.046451   0.220742   0.033015
-    1SOL     H6    6   0.003676   0.083316  -0.005975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002681   0.051780  -0.138996
-    0SOL     H2    2  -0.016280   0.038196  -0.232766
-    0SOL     H3    3   0.043430   0.135468  -0.133309
-    1SOL     O4    4  -0.002032  -0.061230   0.143186
-    1SOL     H5    5   0.059786  -0.035189   0.211470
-    1SOL     H6    6  -0.007343   0.014848   0.085339
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.058488   0.034308   0.135924
-    0SOL     H2    2  -0.121923  -0.037307   0.132808
-    0SOL     H3    3  -0.110673   0.113238   0.121463
-    1SOL     O4    4   0.062158  -0.035000  -0.139125
-    1SOL     H5    5   0.040352  -0.004554  -0.051035
-    1SOL     H6    6   0.154679  -0.058999  -0.134005
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035527  -0.147546   0.050802
-    0SOL     H2    2  -0.025398  -0.096714   0.131275
-    0SOL     H3    3  -0.013904  -0.086063  -0.019302
-    1SOL     O4    4   0.035422   0.134930  -0.050050
-    1SOL     H5    5   0.042097   0.180991  -0.133693
-    1SOL     H6    6  -0.003782   0.198825   0.009471
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.051512   0.044195  -0.144930
-    0SOL     H2    2  -0.037580   0.130883  -0.106805
-    0SOL     H3    3  -0.010304  -0.016128  -0.083081
-    1SOL     O4    4   0.050052  -0.040397   0.134708
-    1SOL     H5    5  -0.021258  -0.042302   0.198532
-    1SOL     H6    6   0.093239  -0.125266   0.144435
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.076700   0.036192   0.128283
-    0SOL     H2    2   0.009842  -0.002900   0.140304
-    0SOL     H3    3  -0.134606  -0.016224   0.183617
-    1SOL     O4    4   0.082238  -0.031270  -0.130457
-    1SOL     H5    5   0.008711  -0.051364  -0.072557
-    1SOL     H6    6   0.041400  -0.006805  -0.213500
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.113247  -0.008841  -0.103839
-    0SOL     H2    2  -0.150801  -0.049298  -0.182039
-    0SOL     H3    3  -0.019103  -0.006363  -0.120955
-    1SOL     O4    4   0.104696   0.012041   0.114586
-    1SOL     H5    5   0.127006  -0.069577   0.069830
-    1SOL     H6    6   0.163001   0.077347   0.075883
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.002628   0.136415   0.065056
-    0SOL     H2    2   0.071810   0.195307   0.034925
-    0SOL     H3    3  -0.077326   0.188811   0.060124
-    1SOL     O4    4   0.003466  -0.147046  -0.063904
-    1SOL     H5    5  -0.003251  -0.067395  -0.011245
-    1SOL     H6    6  -0.083996  -0.158738  -0.100998
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.086397  -0.045015  -0.118716
-    0SOL     H2    2   0.174657  -0.067465  -0.148186
-    0SOL     H3    3   0.053428  -0.125299  -0.078345
-    1SOL     O4    4  -0.090504   0.048942   0.124744
-    1SOL     H5    5  -0.008006   0.070541   0.081271
-    1SOL     H6    6  -0.155433   0.049023   0.054412
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-    6
-    0SOL     O1    1   0.124279   0.094578   0.041035
-    0SOL     H2    2   0.101034   0.173847  -0.007322
-    0SOL     H3    3   0.060912   0.029114   0.011687
-    1SOL     O4    4  -0.113326  -0.094132  -0.033671
-    1SOL     H5    5  -0.139905  -0.169730  -0.086025
-    1SOL     H6    6  -0.190860  -0.038046  -0.031418
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.147711  -0.014876  -0.068472
-    0SOL     H2    2  -0.105133   0.061711  -0.106993
-    0SOL     H3    3  -0.111007  -0.020915   0.019725
-    1SOL     O4    4   0.139020   0.007246   0.065058
-    1SOL     H5    5   0.173550   0.043798   0.146507
-    1SOL     H6    6   0.191804   0.047805  -0.003726
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.064018  -0.144796   0.023138
-    0SOL     H2    2   0.117753  -0.134667  -0.055425
-    0SOL     H3    3   0.127205  -0.151652   0.094712
-    1SOL     O4    4  -0.069134   0.146528  -0.029363
-    1SOL     H5    5  -0.029869   0.073467   0.018413
-    1SOL     H6    6  -0.124758   0.190240   0.035116
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022839   0.096918  -0.129373
-    0SOL     H2    2   0.036423   0.134598  -0.064330
-    0SOL     H3    3  -0.024422   0.161060  -0.200406
-    1SOL     O4    4   0.020444  -0.102565   0.136468
-    1SOL     H5    5  -0.043529  -0.053116   0.085238
-    1SOL     H6    6   0.065970  -0.156826   0.072083
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109198  -0.017019   0.126491
-    0SOL     H2    2   0.082143  -0.042319   0.214753
-    0SOL     H3    3   0.070141   0.069361   0.113252
-    1SOL     O4    4  -0.113067   0.014613  -0.130601
-    1SOL     H5    5  -0.063920  -0.053265  -0.084345
-    1SOL     H6    6  -0.045877   0.070437  -0.169734
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126912   0.119605   0.011227
-    0SOL     H2    2  -0.062054   0.062593  -0.030070
-    0SOL     H3    3  -0.161726   0.067751   0.083764
-    1SOL     O4    4   0.119405  -0.115304  -0.015437
-    1SOL     H5    5   0.129204  -0.053827   0.057274
-    1SOL     H6    6   0.208966  -0.132688  -0.044402
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.174219  -0.037478  -0.039299
-    0SOL     H2    2   0.234997  -0.111326  -0.043174
-    0SOL     H3    3   0.088881  -0.077483  -0.022586
-    1SOL     O4    4  -0.173721   0.040602   0.031862
-    1SOL     H5    5  -0.148895   0.123935   0.071882
-    1SOL     H6    6  -0.187024  -0.018566   0.105919
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.030395   0.176299  -0.045473
-    0SOL     H2    2   0.123004   0.199560  -0.038773
-    0SOL     H3    3   0.014075   0.120593   0.030638
-    1SOL     O4    4  -0.039852  -0.171910   0.043677
-    1SOL     H5    5   0.034730  -0.219378   0.080374
-    1SOL     H6    6  -0.024166  -0.171869  -0.050749
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.160400   0.002402   0.098850
-    0SOL     H2    2  -0.148629  -0.008041   0.004432
-    0SOL     H3    3  -0.082953  -0.038593   0.137370
-    1SOL     O4    4   0.158730   0.005130  -0.098589
-    1SOL     H5    5   0.131829  -0.003733  -0.007156
-    1SOL     H6    6   0.125757  -0.074046  -0.141090
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.157269   0.089011  -0.053458
-    0SOL     H2    2   0.080053   0.067369  -0.105723
-    0SOL     H3    3   0.124637   0.094700   0.036348
-    1SOL     O4    4  -0.151447  -0.089148   0.045379
-    1SOL     H5    5  -0.136950  -0.009236   0.096037
-    1SOL     H6    6  -0.176174  -0.154732   0.110568
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057724  -0.149538   0.098213
-    0SOL     H2    2  -0.051446  -0.084819   0.027968
-    0SOL     H3    3   0.029792  -0.187971   0.103327
-    1SOL     O4    4   0.052665   0.141264  -0.095304
-    1SOL     H5    5   0.065677   0.206553  -0.164082
-    1SOL     H6    6   0.033020   0.192569  -0.016919
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078929  -0.113474   0.118782
-    0SOL     H2    2   0.168762  -0.120880   0.150991
-    0SOL     H3    3   0.075996  -0.171083   0.042396
-    1SOL     O4    4  -0.079552   0.116132  -0.121524
-    1SOL     H5    5  -0.084298   0.064746  -0.040906
-    1SOL     H6    6  -0.149636   0.180762  -0.112949
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.043251   0.139496   0.116011
-    0SOL     H2    2   0.052323   0.096927   0.030760
-    0SOL     H3    3   0.089679   0.222646   0.106378
-    1SOL     O4    4  -0.045722  -0.147486  -0.107023
-    1SOL     H5    5  -0.125027  -0.093890  -0.106309
-    1SOL     H6    6   0.015907  -0.098432  -0.161409
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.123607  -0.074195   0.120577
-    0SOL     H2    2   0.080349  -0.055173   0.037335
-    0SOL     H3    3   0.197769  -0.129892   0.096906
-    1SOL     O4    4  -0.123790   0.071631  -0.110483
-    1SOL     H5    5  -0.156250   0.160349  -0.095062
-    1SOL     H6    6  -0.118624   0.064192  -0.205774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.141630   0.131130  -0.014212
-    0SOL     H2    2   0.125343   0.123488  -0.108226
-    0SOL     H3    3   0.075320   0.192858   0.016692
-    1SOL     O4    4  -0.141556  -0.133103   0.022437
-    1SOL     H5    5  -0.051694  -0.162594   0.037183
-    1SOL     H6    6  -0.148715  -0.124558  -0.072631
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.051750   0.177889  -0.080185
-    0SOL     H2    2   0.028762   0.164735   0.011798
-    0SOL     H3    3   0.024574   0.267699  -0.099108
-    1SOL     O4    4  -0.054022  -0.179546   0.073825
-    1SOL     H5    5  -0.047573  -0.263777   0.118835
-    1SOL     H6    6   0.036714  -0.154957   0.055804
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125583  -0.134564  -0.085870
-    0SOL     H2    2   0.117738  -0.091488  -0.170989
-    0SOL     H3    3   0.217414  -0.122966  -0.061477
-    1SOL     O4    4  -0.132439   0.138942   0.087535
-    1SOL     H5    5  -0.123211   0.101658   0.175211
-    1SOL     H6    6  -0.118751   0.064917   0.028414
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062815  -0.026890   0.195238
-    0SOL     H2    2  -0.105112   0.030512   0.259099
-    0SOL     H3    3  -0.034369   0.031902   0.125262
-    1SOL     O4    4   0.064284   0.027068  -0.194559
-    1SOL     H5    5   0.073111  -0.035684  -0.122819
-    1SOL     H6    6   0.049413  -0.027058  -0.272094
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.142643  -0.124360  -0.075761
-    0SOL     H2    2  -0.107161  -0.206230  -0.110410
-    0SOL     H3    3  -0.234843  -0.125384  -0.101459
-    1SOL     O4    4   0.145319   0.125651   0.084833
-    1SOL     H5    5   0.094984   0.113970   0.004259
-    1SOL     H6    6   0.202342   0.200407   0.066883
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.011137  -0.181377  -0.094935
-    0SOL     H2    2   0.045443  -0.148436  -0.164763
-    0SOL     H3    3  -0.039408  -0.267536  -0.125591
-    1SOL     O4    4   0.012674   0.179127   0.101351
-    1SOL     H5    5   0.006598   0.259950   0.152274
-    1SOL     H6    6  -0.043336   0.194440   0.025255
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021467  -0.199056   0.086594
-    0SOL     H2    2   0.074636  -0.182184   0.008808
-    0SOL     H3    3  -0.053724  -0.140537   0.077423
-    1SOL     O4    4  -0.022576   0.191296  -0.076754
-    1SOL     H5    5   0.029236   0.154902  -0.148541
-    1SOL     H6    6  -0.027411   0.284989  -0.095743
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.156880  -0.105603  -0.084850
-    0SOL     H2    2  -0.204748  -0.164833  -0.142839
-    0SOL     H3    3  -0.153083  -0.151852  -0.001130
-    1SOL     O4    4   0.165720   0.115067   0.083292
-    1SOL     H5    5   0.149456   0.021737   0.069602
-    1SOL     H6    6   0.078520   0.153650   0.091648
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050280  -0.170668  -0.123951
-    0SOL     H2    2   0.015758  -0.187316  -0.036239
-    0SOL     H3    3   0.116496  -0.238553  -0.136963
-    1SOL     O4    4  -0.055639   0.178902   0.115637
-    1SOL     H5    5  -0.084201   0.102277   0.165388
-    1SOL     H6    6   0.036285   0.190287   0.139774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.036722   0.063914   0.211412
-    0SOL     H2    2  -0.019121  -0.020935   0.252072
-    0SOL     H3    3   0.006945   0.059287   0.126358
-    1SOL     O4    4   0.032757  -0.065957  -0.208335
-    1SOL     H5    5   0.082550  -0.010240  -0.148514
-    1SOL     H6    6  -0.014819  -0.004583  -0.264300
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.163984  -0.146068  -0.043270
-    0SOL     H2    2   0.136121  -0.228474  -0.003330
-    0SOL     H3    3   0.100938  -0.131011  -0.113703
-    1SOL     O4    4  -0.159456   0.143687   0.043232
-    1SOL     H5    5  -0.190687   0.182720   0.124861
-    1SOL     H6    6  -0.119866   0.216538  -0.004598
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.227478   0.021192  -0.046117
-    0SOL     H2    2   0.140084  -0.010904  -0.068352
-    0SOL     H3    3   0.227156   0.027474   0.049396
-    1SOL     O4    4  -0.224293  -0.023013   0.036328
-    1SOL     H5    5  -0.231338   0.070168   0.057062
-    1SOL     H6    6  -0.196281  -0.063782   0.118276
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.219197   0.024101  -0.054436
-    0SOL     H2    2   0.310397  -0.004500  -0.049240
-    0SOL     H3    3   0.183313  -0.023598  -0.129265
-    1SOL     O4    4  -0.217848  -0.015401   0.057620
-    1SOL     H5    5  -0.262654  -0.049436   0.135055
-    1SOL     H6    6  -0.249583  -0.069921  -0.014372
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.214734  -0.008773  -0.084054
-    0SOL     H2    2  -0.188236   0.073400  -0.042729
-    0SOL     H3    3  -0.287842   0.015436  -0.140900
-    1SOL     O4    4   0.222437   0.005425   0.088873
-    1SOL     H5    5   0.154810   0.053591   0.041239
-    1SOL     H6    6   0.204251  -0.086607   0.069858
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.240363  -0.015209   0.030982
-    0SOL     H2    2   0.195406  -0.005287  -0.052939
-    0SOL     H3    3   0.257565  -0.109106   0.038038
-    1SOL     O4    4  -0.243481   0.020493  -0.023463
-    1SOL     H5    5  -0.185723   0.093297  -0.046395
-    1SOL     H6    6  -0.200237  -0.056802  -0.059764
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.232582  -0.083115  -0.019058
-    0SOL     H2    2   0.232042  -0.024558  -0.094775
-    0SOL     H3    3   0.140188  -0.094205   0.003363
-    1SOL     O4    4  -0.222727   0.083184   0.025736
-    1SOL     H5    5  -0.252646   0.105600  -0.062381
-    1SOL     H6    6  -0.273292   0.005364   0.049177
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088410  -0.156894   0.174236
-    0SOL     H2    2  -0.001099  -0.136608   0.207814
-    0SOL     H3    3  -0.109848  -0.083194   0.117044
-    1SOL     O4    4   0.085568   0.153078  -0.167444
-    1SOL     H5    5   0.110858   0.197661  -0.248284
-    1SOL     H6    6   0.038932   0.074806  -0.196785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.133785   0.037739   0.209063
-    0SOL     H2    2   0.104679   0.048497   0.118512
-    0SOL     H3    3   0.059657  -0.003564   0.253352
-    1SOL     O4    4  -0.122694  -0.031086  -0.207061
-    1SOL     H5    5  -0.109418  -0.125818  -0.210509
-    1SOL     H6    6  -0.216508  -0.020560  -0.191234
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.125408   0.123078   0.167019
-    0SOL     H2    2  -0.136707   0.059472   0.237651
-    0SOL     H3    3  -0.076549   0.194988   0.207069
-    1SOL     O4    4   0.125381  -0.126307  -0.178303
-    1SOL     H5    5   0.173036  -0.099382  -0.099777
-    1SOL     H6    6   0.033948  -0.105340  -0.159258
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.114503   0.157436  -0.158556
-    0SOL     H2    2   0.028043   0.188426  -0.185513
-    0SOL     H3    3   0.096630   0.093127  -0.089947
-    1SOL     O4    4  -0.109691  -0.151171   0.150770
-    1SOL     H5    5  -0.090147  -0.244727   0.145523
-    1SOL     H6    6  -0.110376  -0.132020   0.244552
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006506  -0.084935  -0.231975
-    0SOL     H2    2   0.099138  -0.066528  -0.247559
-    0SOL     H3    3  -0.039933  -0.027892  -0.293228
-    1SOL     O4    4  -0.015334   0.083349   0.236558
-    1SOL     H5    5   0.061850   0.123517   0.276451
-    1SOL     H6    6   0.018696   0.006862   0.190148
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104134  -0.068680  -0.214914
-    0SOL     H2    2   0.064209  -0.155676  -0.215169
-    0SOL     H3    3   0.133520  -0.055496  -0.305052
-    1SOL     O4    4  -0.105556   0.077751   0.220940
-    1SOL     H5    5  -0.082200   0.001406   0.273744
-    1SOL     H6    6  -0.092856   0.049158   0.130478
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-    6
-    0SOL     O1    1  -0.048320   0.075664  -0.258639
-    0SOL     H2    2  -0.136352   0.061529  -0.223813
-    0SOL     H3    3  -0.006203   0.133206  -0.194784
-    1SOL     O4    4   0.052335  -0.073056   0.248730
-    1SOL     H5    5   0.075306  -0.165457   0.238898
-    1SOL     H6    6   0.007962  -0.068236   0.333406
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.150622  -0.113809   0.185834
-    0SOL     H2    2   0.194206  -0.052334   0.244856
-    0SOL     H3    3   0.117421  -0.182797   0.243284
-    1SOL     O4    4  -0.153938   0.116002  -0.187230
-    1SOL     H5    5  -0.188476   0.092646  -0.273391
-    1SOL     H6    6  -0.059057   0.107060  -0.196178
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.097210  -0.237881  -0.121356
-    0SOL     H2    2   0.157255  -0.258954  -0.192860
-    0SOL     H3    3   0.131375  -0.156388  -0.084558
-    1SOL     O4    4  -0.101947   0.230055   0.127649
-    1SOL     H5    5  -0.174285   0.253337   0.069446
-    1SOL     H6    6  -0.032102   0.291409   0.104853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032313   0.073457   0.276700
-    0SOL     H2    2   0.035027   0.065456   0.181354
-    0SOL     H3    3  -0.060392   0.085747   0.297122
-    1SOL     O4    4  -0.031764  -0.073728  -0.276699
-    1SOL     H5    5   0.038627  -0.009347  -0.268798
-    1SOL     H6    6  -0.015748  -0.135659  -0.205493
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.013076   0.163496   0.250579
-    0SOL     H2    2   0.034995   0.071996   0.232983
-    0SOL     H3    3  -0.027767   0.194370   0.169703
-    1SOL     O4    4  -0.011286  -0.165598  -0.249454
-    1SOL     H5    5  -0.065587  -0.086916  -0.254241
-    1SOL     H6    6   0.035782  -0.157264  -0.166524
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.158617  -0.112353   0.238871
-    0SOL     H2    2  -0.186043  -0.082295   0.325512
-    0SOL     H3    3  -0.239117  -0.112961   0.187086
-    1SOL     O4    4   0.162243   0.110908  -0.246326
-    1SOL     H5    5   0.118788   0.137724  -0.165363
-    1SOL     H6    6   0.248600   0.080582  -0.218304
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.168474   0.278322  -0.046101
-    0SOL     H2    2  -0.100787   0.265619   0.020378
-    0SOL     H3    3  -0.181768   0.373070  -0.049015
-    1SOL     O4    4   0.164215  -0.289585   0.045229
-    1SOL     H5    5   0.188758  -0.276560  -0.046370
-    1SOL     H6    6   0.154306  -0.201051   0.080241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.210122  -0.163660  -0.208599
-    0SOL     H2    2   0.305044  -0.175492  -0.205116
-    0SOL     H3    3   0.185067  -0.195991  -0.295139
-    1SOL     O4    4  -0.213527   0.160656   0.208639
-    1SOL     H5    5  -0.139805   0.204064   0.251572
-    1SOL     H6    6  -0.290647   0.208280   0.239407
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139782   0.207147  -0.246161
-    0SOL     H2    2   0.077372   0.138364  -0.269321
-    0SOL     H3    3   0.206488   0.203093  -0.314690
-    1SOL     O4    4  -0.135203  -0.205248   0.254475
-    1SOL     H5    5  -0.208075  -0.157597   0.294243
-    1SOL     H6    6  -0.158621  -0.212020   0.161912
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.153385  -0.320279   0.078251
-    0SOL     H2    2   0.097586  -0.398049   0.079020
-    0SOL     H3    3   0.124051  -0.270449   0.001969
-    1SOL     O4    4  -0.153970   0.321025  -0.076031
-    1SOL     H5    5  -0.103847   0.255696  -0.027224
-    1SOL     H6    6  -0.096024   0.397062  -0.080830
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043587  -0.324754   0.151349
-    0SOL     H2    2   0.000153  -0.409151   0.162582
-    0SOL     H3    3  -0.039868  -0.308144   0.057154
-    1SOL     O4    4   0.038603   0.326345  -0.152546
-    1SOL     H5    5   0.088758   0.272753  -0.091108
-    1SOL     H6    6   0.029028   0.410773  -0.108473
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090734   0.101591  -0.359065
-    0SOL     H2    2   0.144418   0.032871  -0.319594
-    0SOL     H3    3   0.153043   0.170563  -0.381928
-    1SOL     O4    4  -0.099938  -0.106412   0.354951
-    1SOL     H5    5  -0.006548  -0.101021   0.375241
-    1SOL     H6    6  -0.137829  -0.028372   0.395402
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.275583  -0.219970   0.153515
-    0SOL     H2    2   0.240685  -0.225440   0.242478
-    0SOL     H3    3   0.282647  -0.311029   0.124866
-    1SOL     O4    4  -0.276636   0.221895  -0.161473
-    1SOL     H5    5  -0.184659   0.247838  -0.156053
-    1SOL     H6    6  -0.317237   0.261145  -0.084186
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120416   0.172255  -0.342506
-    0SOL     H2    2  -0.097194   0.232750  -0.412957
-    0SOL     H3    3  -0.180903   0.110183  -0.383136
-    1SOL     O4    4   0.126214  -0.175463   0.354188
-    1SOL     H5    5   0.066534  -0.101406   0.364965
-    1SOL     H6    6   0.125266  -0.193569   0.260201
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.311920   0.199335   0.200119
-    0SOL     H2    2   0.217977   0.182712   0.207910
-    0SOL     H3    3   0.348623   0.169030   0.283166
-    1SOL     O4    4  -0.309599  -0.192743  -0.200477
-    1SOL     H5    5  -0.337993  -0.284088  -0.196991
-    1SOL     H6    6  -0.267241  -0.184020  -0.285870
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.323315   0.044691  -0.394516
-    0SOL     H2    2  -0.348111   0.032739  -0.302839
-    0SOL     H3    3  -0.346486  -0.038084  -0.436631
-    1SOL     O4    4   0.330922  -0.040463   0.387518
-    1SOL     H5    5   0.337782   0.022177   0.459570
-    1SOL     H6    6   0.241435  -0.073950   0.393269
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.396774  -0.083025   0.351726
-    0SOL     H2    2  -0.312903  -0.063326   0.393439
-    0SOL     H3    3  -0.462348  -0.059264   0.417283
-    1SOL     O4    4   0.389849   0.079049  -0.359141
-    1SOL     H5    5   0.423763   0.074662  -0.269738
-    1SOL     H6    6   0.462467   0.114191  -0.410657
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/580K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.284543   0.254441   0.514215
-    0SOL     H2    2  -0.315640   0.307333   0.587685
-    0SOL     H3    3  -0.231784   0.314754   0.461859
-    1SOL     O4    4   0.281896  -0.255617  -0.515751
-    1SOL     H5    5   0.287223  -0.309531  -0.436838
-    1SOL     H6    6   0.305368  -0.315029  -0.587036
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039774   0.058474   0.116378
-    0SOL     H2    2  -0.012712  -0.004728   0.165500
-    0SOL     H3    3   0.039872   0.025031   0.026690
-    1SOL     O4    4  -0.033226  -0.051127  -0.109061
-    1SOL     H5    5  -0.044959  -0.140644  -0.140861
-    1SOL     H6    6  -0.085358   0.002568  -0.168738
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065282   0.040414   0.108377
-    0SOL     H2    2   0.153279   0.038270   0.070769
-    0SOL     H3    3   0.065950  -0.028367   0.174942
-    1SOL     O4    4  -0.070328  -0.036804  -0.116953
-    1SOL     H5    5   0.005639  -0.020710  -0.060985
-    1SOL     H6    6  -0.143300  -0.047363  -0.055914
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073377  -0.092062  -0.059914
-    0SOL     H2    2  -0.082900  -0.127581   0.028460
-    0SOL     H3    3  -0.158792  -0.106127  -0.100764
-    1SOL     O4    4   0.077531   0.093326   0.062965
-    1SOL     H5    5   0.028601   0.070447  -0.016060
-    1SOL     H6    6   0.150643   0.146430   0.031391
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003288   0.098947   0.084461
-    0SOL     H2    2   0.069767   0.120406   0.142468
-    0SOL     H3    3  -0.052113   0.180848   0.076052
-    1SOL     O4    4   0.000141  -0.105624  -0.093434
-    1SOL     H5    5  -0.006421  -0.165071  -0.018698
-    1SOL     H6    6   0.039082  -0.025960  -0.057384
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057434   0.085424  -0.093216
-    0SOL     H2    2  -0.042533   0.002674  -0.047470
-    0SOL     H3    3  -0.141118   0.073314  -0.138080
-    1SOL     O4    4   0.057159  -0.074372   0.095102
-    1SOL     H5    5   0.142450  -0.097059   0.132157
-    1SOL     H6    6   0.043965  -0.137805   0.024642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092019   0.072689   0.082578
-    0SOL     H2    2  -0.017907   0.059998   0.023344
-    0SOL     H3    3  -0.153635   0.003290   0.059135
-    1SOL     O4    4   0.088287  -0.062536  -0.076722
-    1SOL     H5    5   0.090718  -0.118687  -0.154204
-    1SOL     H6    6   0.145288  -0.106355  -0.013531
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.117618  -0.078443  -0.016677
-    0SOL     H2    2  -0.094281   0.008805   0.015033
-    0SOL     H3    3  -0.075625  -0.084829  -0.102456
-    1SOL     O4    4   0.111392   0.069876   0.024400
-    1SOL     H5    5   0.140399   0.161072   0.026461
-    1SOL     H6    6   0.127058   0.041742  -0.065741
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003624  -0.069627   0.115032
-    0SOL     H2    2   0.042281  -0.147920   0.084613
-    0SOL     H3    3  -0.089606  -0.101407   0.142592
-    1SOL     O4    4   0.002705   0.077462  -0.121464
-    1SOL     H5    5  -0.020640   0.011799  -0.055845
-    1SOL     H6    6   0.075035   0.126173  -0.081995
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.077063  -0.078467  -0.085443
-    0SOL     H2    2   0.138086  -0.149246  -0.064731
-    0SOL     H3    3   0.000285  -0.096316  -0.031139
-    1SOL     O4    4  -0.070035   0.080230   0.079912
-    1SOL     H5    5  -0.133293   0.112706   0.015833
-    1SOL     H6    6  -0.109823   0.099508   0.164809
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130652  -0.039959  -0.046188
-    0SOL     H2    2  -0.038468  -0.016412  -0.035701
-    0SOL     H3    3  -0.138720  -0.125088  -0.003174
-    1SOL     O4    4   0.121212   0.043334   0.039391
-    1SOL     H5    5   0.189093  -0.023882   0.045427
-    1SOL     H6    6   0.144636   0.107212   0.106720
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140288   0.002804   0.004748
-    0SOL     H2    2  -0.119475  -0.017916   0.095852
-    0SOL     H3    3  -0.166437   0.094868   0.006446
-    1SOL     O4    4   0.142254  -0.013218  -0.009524
-    1SOL     H5    5   0.062989   0.014675  -0.055365
-    1SOL     H6    6   0.185279   0.068429   0.015871
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056405  -0.020937  -0.126064
-    0SOL     H2    2   0.027710  -0.010004  -0.170420
-    0SOL     H3    3  -0.101110   0.062796  -0.138415
-    1SOL     O4    4   0.059863   0.012637   0.128820
-    1SOL     H5    5  -0.013625   0.016025   0.067580
-    1SOL     H6    6   0.032531   0.067717   0.202178
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034467   0.035592  -0.125939
-    0SOL     H2    2   0.041272   0.037846  -0.184426
-    0SOL     H3    3  -0.109288   0.053595  -0.182859
-    1SOL     O4    4   0.032751  -0.035607   0.138169
-    1SOL     H5    5   0.121942  -0.063223   0.117083
-    1SOL     H6    6  -0.011920  -0.032116   0.053584
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058777  -0.101281  -0.085864
-    0SOL     H2    2   0.033363  -0.067445  -0.000007
-    0SOL     H3    3  -0.013703  -0.158252  -0.111621
-    1SOL     O4    4  -0.060247   0.103259   0.080703
-    1SOL     H5    5  -0.024741   0.062297   0.159594
-    1SOL     H6    6   0.016881   0.131225   0.031393
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124504   0.050102   0.062165
-    0SOL     H2    2  -0.034519   0.063331   0.032329
-    0SOL     H3    3  -0.120841  -0.029771   0.114789
-    1SOL     O4    4   0.111366  -0.046923  -0.059772
-    1SOL     H5    5   0.152367   0.037032  -0.080580
-    1SOL     H6    6   0.170132  -0.112350  -0.097563
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104951  -0.078087  -0.056639
-    0SOL     H2    2  -0.118542  -0.115547   0.030392
-    0SOL     H3    3  -0.170022  -0.008185  -0.063107
-    1SOL     O4    4   0.111213   0.079938   0.058245
-    1SOL     H5    5   0.054613   0.002987   0.052124
-    1SOL     H6    6   0.135906   0.098830  -0.032285
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099571  -0.030524   0.090723
-    0SOL     H2    2  -0.183669   0.004971   0.119530
-    0SOL     H3    3  -0.097683  -0.119458   0.126072
-    1SOL     O4    4   0.108323   0.028386  -0.095433
-    1SOL     H5    5   0.053383   0.049539  -0.019959
-    1SOL     H6    6   0.093657   0.100421  -0.156736
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.014285  -0.070389  -0.133470
-    0SOL     H2    2  -0.108185  -0.080702  -0.118013
-    0SOL     H3    3   0.014980  -0.010780  -0.064531
-    1SOL     O4    4   0.019452   0.062518   0.123196
-    1SOL     H5    5   0.003125   0.046756   0.216187
-    1SOL     H6    6   0.014894   0.157668   0.113821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017422  -0.037566  -0.134159
-    0SOL     H2    2   0.040308  -0.122857  -0.171090
-    0SOL     H3    3   0.023926   0.023062  -0.207945
-    1SOL     O4    4  -0.021491   0.045419   0.141330
-    1SOL     H5    5   0.029291   0.006866   0.069936
-    1SOL     H6    6  -0.032534  -0.025928   0.204179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043243  -0.138419   0.044945
-    0SOL     H2    2   0.015416  -0.082756  -0.006271
-    0SOL     H3    3  -0.124853  -0.139696  -0.005060
-    1SOL     O4    4   0.047259   0.130954  -0.034245
-    1SOL     H5    5  -0.029977   0.119875  -0.089690
-    1SOL     H6    6   0.082864   0.216159  -0.059439
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007897   0.111860  -0.105145
-    0SOL     H2    2  -0.010543   0.021050  -0.074996
-    0SOL     H3    3  -0.088756   0.150629  -0.071663
-    1SOL     O4    4   0.007085  -0.109848   0.100134
-    1SOL     H5    5   0.087951  -0.157375   0.081047
-    1SOL     H6    6   0.034616  -0.037046   0.155850
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.040401   0.001301  -0.152955
-    0SOL     H2    2   0.063353  -0.082358  -0.112499
-    0SOL     H3    3   0.011413   0.056082  -0.080010
-    1SOL     O4    4  -0.043392  -0.002972   0.141378
-    1SOL     H5    5  -0.054356   0.090147   0.160637
-    1SOL     H6    6   0.025762  -0.031818   0.200943
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.097632  -0.102731   0.059020
-    0SOL     H2    2  -0.066272  -0.045114  -0.010687
-    0SOL     H3    3  -0.152635  -0.166948   0.014151
-    1SOL     O4    4   0.093999   0.101626  -0.048641
-    1SOL     H5    5   0.126197   0.043627  -0.117647
-    1SOL     H6    6   0.144138   0.182391  -0.059839
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006922   0.150096   0.001079
-    0SOL     H2    2   0.073016   0.208990   0.037485
-    0SOL     H3    3   0.039722   0.128195  -0.086138
-    1SOL     O4    4  -0.018922  -0.153548   0.000305
-    1SOL     H5    5   0.052114  -0.213722   0.022562
-    1SOL     H6    6   0.018014  -0.066429   0.014742
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.025085   0.152905   0.022110
-    0SOL     H2    2   0.055196   0.200367   0.043666
-    0SOL     H3    3   0.005127   0.067733  -0.009440
-    1SOL     O4    4   0.012967  -0.152392  -0.020283
-    1SOL     H5    5   0.088687  -0.141396   0.037230
-    1SOL     H6    6   0.046886  -0.135313  -0.108147
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.159889   0.006992  -0.011753
-    0SOL     H2    2  -0.125730  -0.081683  -0.000254
-    0SOL     H3    3  -0.082653   0.060154  -0.031005
-    1SOL     O4    4   0.152703  -0.001054   0.008016
-    1SOL     H5    5   0.144116  -0.096323   0.004520
-    1SOL     H6    6   0.187897   0.016685   0.095246
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106115  -0.024467   0.114769
-    0SOL     H2    2   0.033113  -0.070737   0.073632
-    0SOL     H3    3   0.183507  -0.054633   0.067200
-    1SOL     O4    4  -0.110000   0.023783  -0.107070
-    1SOL     H5    5  -0.057962   0.028988  -0.187241
-    1SOL     H6    6  -0.101868   0.110562  -0.067504
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.131759   0.074481   0.036009
-    0SOL     H2    2  -0.038295   0.094557   0.040889
-    0SOL     H3    3  -0.167203   0.104744   0.119616
-    1SOL     O4    4   0.130984  -0.072757  -0.044992
-    1SOL     H5    5   0.038507  -0.097462  -0.044775
-    1SOL     H6    6   0.172663  -0.135265   0.014319
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.094534  -0.053683  -0.107958
-    0SOL     H2    2   0.079173   0.033575  -0.144185
-    0SOL     H3    3   0.065385  -0.113653  -0.176633
-    1SOL     O4    4  -0.090908   0.054810   0.109279
-    1SOL     H5    5  -0.033741  -0.010763   0.149209
-    1SOL     H6    6  -0.164684   0.062374   0.169796
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.017041  -0.070810  -0.131961
-    0SOL     H2    2  -0.048411  -0.044034  -0.196470
-    0SOL     H3    3   0.100876  -0.059707  -0.176803
-    1SOL     O4    4  -0.022253   0.065471   0.142628
-    1SOL     H5    5   0.024023   0.147749   0.158476
-    1SOL     H6    6   0.005680   0.038705   0.055075
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115028  -0.097315  -0.023058
-    0SOL     H2    2  -0.196309  -0.047046  -0.028402
-    0SOL     H3    3  -0.129832  -0.159364   0.048308
-    1SOL     O4    4   0.123656   0.103607   0.019445
-    1SOL     H5    5   0.142508   0.025439  -0.032486
-    1SOL     H6    6   0.047817   0.079396   0.072592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073743  -0.065822  -0.113602
-    0SOL     H2    2   0.154517  -0.017462  -0.096306
-    0SOL     H3    3   0.099264  -0.133545  -0.176248
-    1SOL     O4    4  -0.081683   0.062397   0.121342
-    1SOL     H5    5  -0.082258   0.052886   0.026098
-    1SOL     H6    6  -0.058019   0.153952   0.136175
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006328  -0.025422   0.157626
-    0SOL     H2    2  -0.022603  -0.026350   0.063304
-    0SOL     H3    3  -0.093045  -0.015196   0.196843
-    1SOL     O4    4   0.006691   0.028143  -0.153434
-    1SOL     H5    5   0.029074  -0.029900  -0.226183
-    1SOL     H6    6   0.084994   0.028918  -0.098385
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.032868   0.149462  -0.028466
-    0SOL     H2    2   0.074241   0.167400   0.055966
-    0SOL     H3    3  -0.048016   0.200625  -0.026908
-    1SOL     O4    4  -0.024493  -0.153243   0.025214
-    1SOL     H5    5  -0.098283  -0.151954   0.086171
-    1SOL     H6    6  -0.064677  -0.145141  -0.061285
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065759   0.132704   0.078932
-    0SOL     H2    2  -0.024081   0.117011   0.049866
-    0SOL     H3    3   0.104180   0.045350   0.086374
-    1SOL     O4    4  -0.056791  -0.131122  -0.076027
-    1SOL     H5    5  -0.147085  -0.151993  -0.052074
-    1SOL     H6    6  -0.063094  -0.048219  -0.123457
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131156  -0.065622   0.056139
-    0SOL     H2    2   0.209425  -0.051339   0.109358
-    0SOL     H3    3   0.082749  -0.133954   0.102506
-    1SOL     O4    4  -0.132686   0.075062  -0.063329
-    1SOL     H5    5  -0.056003   0.022344  -0.040906
-    1SOL     H6    6  -0.206370   0.014341  -0.056550
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013837   0.039571  -0.162072
-    0SOL     H2    2  -0.034233   0.122410  -0.118665
-    0SOL     H3    3   0.054936   0.000519  -0.108150
-    1SOL     O4    4   0.014766  -0.043145   0.162135
-    1SOL     H5    5  -0.002326  -0.106137   0.092119
-    1SOL     H6    6  -0.030934   0.036327   0.134600
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057234   0.147442  -0.005192
-    0SOL     H2    2  -0.122887   0.171777  -0.070459
-    0SOL     H3    3  -0.035821   0.229560   0.039084
-    1SOL     O4    4   0.064441  -0.153279   0.006442
-    1SOL     H5    5   0.005489  -0.228329   0.013830
-    1SOL     H6    6   0.006431  -0.078531  -0.008047
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046250   0.151235   0.065007
-    0SOL     H2    2  -0.116406   0.207332   0.031936
-    0SOL     H3    3  -0.013423   0.105649  -0.012496
-    1SOL     O4    4   0.052629  -0.147087  -0.060226
-    1SOL     H5    5   0.081308  -0.236737  -0.042823
-    1SOL     H6    6  -0.042834  -0.150855  -0.054315
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004539   0.099515   0.140508
-    0SOL     H2    2   0.023641   0.069831   0.053980
-    0SOL     H3    3  -0.029492   0.191011   0.127541
-    1SOL     O4    4   0.002539  -0.098094  -0.140928
-    1SOL     H5    5  -0.056873  -0.141162  -0.079465
-    1SOL     H6    6   0.089682  -0.128128  -0.115112
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096610  -0.027017  -0.140452
-    0SOL     H2    2  -0.167917  -0.089696  -0.128246
-    0SOL     H3    3  -0.105151   0.033668  -0.066922
-    1SOL     O4    4   0.094835   0.028335   0.133161
-    1SOL     H5    5   0.123975  -0.047694   0.183487
-    1SOL     H6    6   0.173895   0.080964   0.121244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101827  -0.074168  -0.122179
-    0SOL     H2    2  -0.044946  -0.000213  -0.100789
-    0SOL     H3    3  -0.063073  -0.112242  -0.200988
-    1SOL     O4    4   0.095886   0.076853   0.120734
-    1SOL     H5    5   0.079567   0.092236   0.213790
-    1SOL     H6    6   0.120507  -0.015506   0.115634
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093631   0.097746   0.106421
-    0SOL     H2    2  -0.117569   0.083559   0.198007
-    0SOL     H3    3  -0.163371   0.055216   0.056523
-    1SOL     O4    4   0.098332  -0.100259  -0.113047
-    1SOL     H5    5   0.051808  -0.087164  -0.030425
-    1SOL     H6    6   0.154078  -0.022931  -0.121715
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.003374  -0.141942  -0.095207
-    0SOL     H2    2   0.086533  -0.174784  -0.094460
-    0SOL     H3    3  -0.026340  -0.136976  -0.187998
-    1SOL     O4    4  -0.000205   0.140287   0.094918
-    1SOL     H5    5   0.050450   0.215766   0.124909
-    1SOL     H6    6  -0.059345   0.120670   0.167581
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028600   0.180490   0.001579
-    0SOL     H2    2   0.046037   0.164104  -0.056068
-    0SOL     H3    3  -0.034951   0.101723   0.055594
-    1SOL     O4    4   0.020912  -0.171107   0.003595
-    1SOL     H5    5   0.106536  -0.152635  -0.035002
-    1SOL     H6    6  -0.007357  -0.252312  -0.038464
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057389  -0.164162  -0.024419
-    0SOL     H2    2   0.125050  -0.114709   0.021828
-    0SOL     H3    3   0.067989  -0.254102   0.006575
-    1SOL     O4    4  -0.066888   0.171495   0.020835
-    1SOL     H5    5  -0.001161   0.136190   0.080800
-    1SOL     H6    6  -0.050484   0.126415  -0.061996
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.113063   0.149699   0.003829
-    0SOL     H2    2  -0.059817   0.070173   0.002161
-    0SOL     H3    3  -0.073307   0.206585  -0.062094
-    1SOL     O4    4   0.107046  -0.143104  -0.003732
-    1SOL     H5    5   0.089600  -0.147511   0.090282
-    1SOL     H6    6   0.135080  -0.231589  -0.027112
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.164352   0.060149   0.036894
-    0SOL     H2    2   0.184239   0.024672   0.123544
-    0SOL     H3    3   0.246594   0.099375   0.007569
-    1SOL     O4    4  -0.174495  -0.058533  -0.035788
-    1SOL     H5    5  -0.168967  -0.016031  -0.121376
-    1SOL     H6    6  -0.109503  -0.128703  -0.039595
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.163774  -0.080226   0.014228
-    0SOL     H2    2   0.181250   0.007866   0.047345
-    0SOL     H3    3   0.245850  -0.107058  -0.027075
-    1SOL     O4    4  -0.165470   0.070879  -0.011741
-    1SOL     H5    5  -0.255936   0.092370   0.010982
-    1SOL     H6    6  -0.136757   0.143450  -0.067160
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.151518   0.121894  -0.004145
-    0SOL     H2    2   0.144625   0.165403   0.080836
-    0SOL     H3    3   0.098476   0.042746   0.005044
-    1SOL     O4    4  -0.147297  -0.118031  -0.007405
-    1SOL     H5    5  -0.227836  -0.131886   0.042433
-    1SOL     H6    6  -0.077077  -0.139363   0.054049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148765  -0.114546   0.015545
-    0SOL     H2    2   0.078288  -0.136277   0.076562
-    0SOL     H3    3   0.213416  -0.184059   0.027816
-    1SOL     O4    4  -0.146794   0.125978  -0.016787
-    1SOL     H5    5  -0.151730   0.103547  -0.109711
-    1SOL     H6    6  -0.164031   0.043564   0.028744
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.183450   0.018113   0.027829
-    0SOL     H2    2  -0.237946  -0.015126  -0.043499
-    0SOL     H3    3  -0.232971  -0.001992   0.107238
-    1SOL     O4    4   0.192292  -0.019147  -0.023719
-    1SOL     H5    5   0.225377   0.039164  -0.092039
-    1SOL     H6    6   0.097214  -0.017394  -0.034642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069646  -0.089735   0.158996
-    0SOL     H2    2   0.155619  -0.051715   0.177037
-    0SOL     H3    3   0.048236  -0.059810   0.070631
-    1SOL     O4    4  -0.073161   0.079601  -0.154925
-    1SOL     H5    5  -0.004145   0.142802  -0.134809
-    1SOL     H6    6  -0.149968   0.133315  -0.174365
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.163713   0.022765   0.111506
-    0SOL     H2    2   0.151526   0.041935   0.204492
-    0SOL     H3    3   0.105289  -0.051096   0.094372
-    1SOL     O4    4  -0.159008  -0.021536  -0.122022
-    1SOL     H5    5  -0.153628   0.065933  -0.083520
-    1SOL     H6    6  -0.179736  -0.078972  -0.048308
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.161010  -0.042580  -0.138904
-    0SOL     H2    2  -0.085425  -0.084718  -0.179814
-    0SOL     H3    3  -0.139873  -0.040769  -0.045565
-    1SOL     O4    4   0.156579   0.048888   0.140539
-    1SOL     H5    5   0.165995   0.065814   0.046799
-    1SOL     H6    6   0.132530  -0.043605   0.145928
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054897  -0.081567  -0.183978
-    0SOL     H2    2   0.009805  -0.101906  -0.251523
-    0SOL     H3    3  -0.126157  -0.143544  -0.199568
-    1SOL     O4    4   0.052612   0.092912   0.188904
-    1SOL     H5    5   0.019550   0.015389   0.143524
-    1SOL     H6    6   0.126720   0.060848   0.240307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.172498   0.135731   0.014929
-    0SOL     H2    2   0.083215   0.163050  -0.006152
-    0SOL     H3    3   0.197819   0.078504  -0.057503
-    1SOL     O4    4  -0.168355  -0.127240  -0.009680
-    1SOL     H5    5  -0.099078  -0.192426   0.000982
-    1SOL     H6    6  -0.248321  -0.178741  -0.020425
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059910  -0.116036   0.165776
-    0SOL     H2    2  -0.030929  -0.150873   0.250089
-    0SOL     H3    3  -0.125577  -0.178628   0.135240
-    1SOL     O4    4   0.065923   0.121367  -0.163994
-    1SOL     H5    5  -0.021380   0.082202  -0.166584
-    1SOL     H6    6   0.076693   0.161709  -0.250127
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.189159  -0.036390  -0.107346
-    0SOL     H2    2  -0.256921  -0.049277  -0.040979
-    0SOL     H3    3  -0.135819   0.035538  -0.073530
-    1SOL     O4    4   0.186179   0.035696   0.096914
-    1SOL     H5    5   0.156148   0.012593   0.184816
-    1SOL     H6    6   0.279307   0.013568   0.096782
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.056441   0.026458  -0.205208
-    0SOL     H2    2  -0.017245   0.034926  -0.292124
-    0SOL     H3    3  -0.113559   0.102839  -0.197095
-    1SOL     O4    4   0.064093  -0.034711   0.211226
-    1SOL     H5    5   0.041799   0.056876   0.194576
-    1SOL     H6    6  -0.019764  -0.080764   0.208154
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.148355  -0.129322  -0.107315
-    0SOL     H2    2  -0.230965  -0.115004  -0.061132
-    0SOL     H3    3  -0.081026  -0.117303  -0.040347
-    1SOL     O4    4   0.151588   0.126613   0.094519
-    1SOL     H5    5   0.102459   0.203213   0.124202
-    1SOL     H6    6   0.155027   0.069184   0.171019
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118796  -0.017345   0.194093
-    0SOL     H2    2  -0.026479  -0.002169   0.214332
-    0SOL     H3    3  -0.125143  -0.003985   0.099522
-    1SOL     O4    4   0.118354   0.021889  -0.191692
-    1SOL     H5    5   0.025092   0.010476  -0.209979
-    1SOL     H6    6   0.146431  -0.062599  -0.156539
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104041   0.174076   0.112909
-    0SOL     H2    2   0.046355   0.104543   0.144530
-    0SOL     H3    3   0.066254   0.200285   0.028959
-    1SOL     O4    4  -0.097001  -0.171782  -0.115997
-    1SOL     H5    5  -0.043517  -0.178783  -0.036922
-    1SOL     H6    6  -0.186759  -0.164060  -0.083654
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077216  -0.205556  -0.079258
-    0SOL     H2    2  -0.136932  -0.143785  -0.037060
-    0SOL     H3    3   0.008572  -0.185304  -0.041939
-    1SOL     O4    4   0.079453   0.199755   0.079109
-    1SOL     H5    5   0.024227   0.275578   0.060050
-    1SOL     H6    6   0.059110   0.137170   0.009599
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028385  -0.036489  -0.223890
-    0SOL     H2    2  -0.050841   0.017031  -0.219294
-    0SOL     H3    3  -0.003750  -0.126402  -0.230624
-    1SOL     O4    4  -0.022968   0.035020   0.229597
-    1SOL     H5    5   0.054997   0.089474   0.218706
-    1SOL     H6    6  -0.069525   0.042839   0.146329
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146736   0.082927   0.148944
-    0SOL     H2    2  -0.240688   0.098140   0.159137
-    0SOL     H3    3  -0.105530   0.149522   0.203986
-    1SOL     O4    4   0.156048  -0.089051  -0.150736
-    1SOL     H5    5   0.125759  -0.095447  -0.241312
-    1SOL     H6    6   0.078459  -0.062636  -0.101294
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146600   0.086115  -0.167893
-    0SOL     H2    2  -0.143714   0.155009  -0.101502
-    0SOL     H3    3  -0.085378   0.019695  -0.136229
-    1SOL     O4    4   0.148087  -0.085565   0.168418
-    1SOL     H5    5   0.137990  -0.151229   0.099507
-    1SOL     H6    6   0.078004  -0.022490   0.151919
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077953  -0.143933  -0.176914
-    0SOL     H2    2  -0.102544  -0.053334  -0.195609
-    0SOL     H3    3  -0.063580  -0.145863  -0.082299
-    1SOL     O4    4   0.081815   0.144255   0.169818
-    1SOL     H5    5   0.046775   0.067306   0.124947
-    1SOL     H6    6   0.060526   0.130021   0.262048
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.168772   0.048863   0.157328
-    0SOL     H2    2  -0.139113   0.112732   0.222162
-    0SOL     H3    3  -0.135253  -0.034962   0.189142
-    1SOL     O4    4   0.168496  -0.045845  -0.156526
-    1SOL     H5    5   0.175987  -0.132007  -0.197541
-    1SOL     H6    6   0.111684   0.003884  -0.215362
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.109833   0.171978   0.119035
-    0SOL     H2    2  -0.181684   0.147856   0.060572
-    0SOL     H3    3  -0.134421   0.258005   0.153050
-    1SOL     O4    4   0.112897  -0.180734  -0.119754
-    1SOL     H5    5   0.064022  -0.098462  -0.121964
-    1SOL     H6    6   0.197766  -0.157231  -0.082243
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.181324   0.059154  -0.146616
-    0SOL     H2    2   0.191837   0.074623  -0.240491
-    0SOL     H3    3   0.173876   0.146666  -0.108558
-    1SOL     O4    4  -0.175785  -0.062901   0.150762
-    1SOL     H5    5  -0.214326  -0.104741   0.073779
-    1SOL     H6    6  -0.245497  -0.064436   0.216338
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.236077   0.062043   0.015271
-    0SOL     H2    2   0.150955   0.099951  -0.006628
-    0SOL     H3    3   0.289295   0.136751   0.042636
-    1SOL     O4    4  -0.236142  -0.074872  -0.011944
-    1SOL     H5    5  -0.224946  -0.061596  -0.106076
-    1SOL     H6    6  -0.217120   0.010576   0.026774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042044   0.136971   0.198977
-    0SOL     H2    2  -0.077259   0.206945   0.253985
-    0SOL     H3    3  -0.018971   0.180338   0.116823
-    1SOL     O4    4   0.047620  -0.137459  -0.197827
-    1SOL     H5    5   0.048950  -0.228724  -0.168996
-    1SOL     H6    6  -0.042643  -0.122489  -0.225949
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.223652  -0.064893  -0.098279
-    0SOL     H2    2  -0.269732  -0.090454  -0.018369
-    0SOL     H3    3  -0.218061   0.030532  -0.093277
-    1SOL     O4    4   0.225893   0.057350   0.088367
-    1SOL     H5    5   0.166127   0.043789   0.161895
-    1SOL     H6    6   0.280861   0.130914   0.115373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.011747   0.071020   0.245358
-    0SOL     H2    2  -0.068573   0.033405   0.281361
-    0SOL     H3    3   0.064705  -0.004753   0.220533
-    1SOL     O4    4  -0.003772  -0.064139  -0.245143
-    1SOL     H5    5  -0.060179  -0.134912  -0.213972
-    1SOL     H6    6  -0.062981  -0.004899  -0.291481
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.092419   0.162754   0.179355
-    0SOL     H2    2  -0.133712   0.086159   0.219236
-    0SOL     H3    3  -0.133008   0.169633   0.092940
-    1SOL     O4    4   0.099396  -0.155126  -0.172673
-    1SOL     H5    5   0.084030  -0.249588  -0.174473
-    1SOL     H6    6   0.064564  -0.123553  -0.256053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080809  -0.127298   0.222837
-    0SOL     H2    2  -0.010275  -0.155588   0.230935
-    0SOL     H3    3   0.101414  -0.088141   0.307716
-    1SOL     O4    4  -0.079722   0.120549  -0.227752
-    1SOL     H5    5  -0.098392   0.205780  -0.188389
-    1SOL     H6    6  -0.003551   0.136077  -0.283602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.092096   0.152237  -0.272040
-    0SOL     H2    2   0.061388   0.105289  -0.194482
-    0SOL     H3    3   0.168847   0.200825  -0.241859
-    1SOL     O4    4  -0.091231  -0.154802   0.260936
-    1SOL     H5    5  -0.135448  -0.070516   0.271091
-    1SOL     H6    6  -0.105539  -0.199607   0.344303
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.173048   0.207313  -0.184822
-    0SOL     H2    2   0.205447   0.195080  -0.095586
-    0SOL     H3    3   0.080488   0.229155  -0.173965
-    1SOL     O4    4  -0.173799  -0.203644   0.181931
-    1SOL     H5    5  -0.185970  -0.296319   0.161305
-    1SOL     H6    6  -0.087897  -0.182061   0.145636
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079268  -0.248028  -0.196020
-    0SOL     H2    2   0.162473  -0.290381  -0.174918
-    0SOL     H3    3   0.054985  -0.201586  -0.115921
-    1SOL     O4    4  -0.083927   0.243655   0.196099
-    1SOL     H5    5  -0.021858   0.228305   0.124866
-    1SOL     H6    6  -0.126601   0.326265   0.173363
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.095693   0.001143   0.329266
-    0SOL     H2    2   0.086841   0.038708   0.241671
-    0SOL     H3    3   0.190028  -0.000056   0.345443
-    1SOL     O4    4  -0.102526  -0.008839  -0.328057
-    1SOL     H5    5  -0.117176   0.082976  -0.350809
-    1SOL     H6    6  -0.042165  -0.005833  -0.253829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.154656   0.071815   0.306796
-    0SOL     H2    2  -0.190330  -0.013937   0.283641
-    0SOL     H3    3  -0.129354   0.110688   0.223064
-    1SOL     O4    4   0.149997  -0.065425  -0.303517
-    1SOL     H5    5   0.216569  -0.043326  -0.238385
-    1SOL     H6    6   0.173269  -0.153580  -0.332662
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.339519  -0.096285   0.018886
-    0SOL     H2    2   0.307346  -0.010756   0.047380
-    0SOL     H3    3   0.343522  -0.148361   0.099100
-    1SOL     O4    4  -0.340068   0.087634  -0.021950
-    1SOL     H5    5  -0.393444   0.160273  -0.054153
-    1SOL     H6    6  -0.250326   0.120834  -0.024475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072864   0.297776   0.196293
-    0SOL     H2    2   0.125468   0.250735   0.260963
-    0SOL     H3    3   0.000468   0.238382   0.176456
-    1SOL     O4    4  -0.068561  -0.286675  -0.198700
-    1SOL     H5    5  -0.129194  -0.317945  -0.131557
-    1SOL     H6    6  -0.075136  -0.351340  -0.268967
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.130475   0.251989  -0.231691
-    0SOL     H2    2   0.133247   0.296048  -0.146760
-    0SOL     H3    3   0.142467   0.159295  -0.211044
-    1SOL     O4    4  -0.135050  -0.252824   0.221783
-    1SOL     H5    5  -0.154419  -0.209224   0.304766
-    1SOL     H6    6  -0.045903  -0.225269   0.200431
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116177  -0.343850  -0.143795
-    0SOL     H2    2  -0.189116  -0.385803  -0.098163
-    0SOL     H3    3  -0.139865  -0.348652  -0.236413
-    1SOL     O4    4   0.123353   0.342468   0.141689
-    1SOL     H5    5   0.063595   0.317543   0.212187
-    1SOL     H6    6   0.142353   0.434875   0.157880
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.383618  -0.052962  -0.063403
-    0SOL     H2    2  -0.346880  -0.062801  -0.151243
-    0SOL     H3    3  -0.478376  -0.056350  -0.076503
-    1SOL     O4    4   0.384534   0.048910   0.073637
-    1SOL     H5    5   0.444845   0.120346   0.094177
-    1SOL     H6    6   0.365957   0.059271  -0.019690
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.145783  -0.033978  -0.366893
-    0SOL     H2    2   0.074785  -0.085431  -0.328499
-    0SOL     H3    3   0.152665  -0.065956  -0.456851
-    1SOL     O4    4  -0.139367   0.045383   0.370680
-    1SOL     H5    5  -0.164423  -0.017767   0.438108
-    1SOL     H6    6  -0.156413   0.000250   0.288008
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/590K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.357306  -0.192695  -0.156463
-    0SOL     H2    2  -0.343905  -0.175739  -0.063215
-    0SOL     H3    3  -0.452226  -0.188772  -0.168170
-    1SOL     O4    4   0.362458   0.198932   0.153081
-    1SOL     H5    5   0.286362   0.146400   0.177823
-    1SOL     H6    6   0.426619   0.135070   0.121979
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-Generated by ForceBalance from calcs/cluster-02/VLE/590K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.107591  -0.495564  -0.192710
-    0SOL     H2    2   0.156777  -0.413554  -0.188543
-    0SOL     H3    3   0.106313  -0.527394  -0.102446
-    1SOL     O4    4  -0.105521   0.496753   0.187117
-    1SOL     H5    5  -0.194460   0.511415   0.219325
-    1SOL     H6    6  -0.106516   0.406981   0.153915
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009943   0.100222  -0.066842
-    0SOL     H2    2   0.019134   0.035899  -0.137130
-    0SOL     H3    3  -0.057834   0.160234  -0.097942
-    1SOL     O4    4  -0.008966  -0.103269   0.078616
-    1SOL     H5    5  -0.028250  -0.012234   0.056185
-    1SOL     H6    6   0.036961  -0.137653   0.001995
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.016650   0.033961  -0.127955
-    0SOL     H2    2   0.046071  -0.021914  -0.173849
-    0SOL     H3    3  -0.023925  -0.004750  -0.040715
-    1SOL     O4    4   0.013886  -0.029386   0.119500
-    1SOL     H5    5  -0.064136  -0.018235   0.173819
-    1SOL     H6    6   0.086463  -0.031420   0.181876
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130431  -0.028863  -0.018913
-    0SOL     H2    2  -0.148737   0.007101  -0.105710
-    0SOL     H3    3  -0.036450  -0.015423  -0.006699
-    1SOL     O4    4   0.120170   0.026302   0.022013
-    1SOL     H5    5   0.172509   0.106272   0.016755
-    1SOL     H6    6   0.184558  -0.043994   0.030673
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.062114  -0.112786   0.024359
-    0SOL     H2    2   0.036580  -0.163139  -0.052939
-    0SOL     H3    3   0.153893  -0.090290   0.009104
-    1SOL     O4    4  -0.071829   0.116179  -0.019068
-    1SOL     H5    5  -0.027362   0.044701   0.026495
-    1SOL     H6    6  -0.004836   0.153466  -0.076373
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057099   0.013062   0.121285
-    0SOL     H2    2  -0.148332   0.012622   0.092325
-    0SOL     H3    3  -0.052909  -0.055019   0.188440
-    1SOL     O4    4   0.068348  -0.008993  -0.124720
-    1SOL     H5    5  -0.005765   0.013518  -0.180960
-    1SOL     H6    6   0.028292  -0.040001  -0.043501
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118867  -0.064262   0.022281
-    0SOL     H2    2  -0.185759  -0.017287   0.072092
-    0SOL     H3    3  -0.076731  -0.121318   0.086557
-    1SOL     O4    4   0.126029   0.063113  -0.031893
-    1SOL     H5    5   0.047628   0.010791  -0.015219
-    1SOL     H6    6   0.108107   0.147249   0.010086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020835  -0.136562  -0.007550
-    0SOL     H2    2   0.031598  -0.067213  -0.072645
-    0SOL     H3    3   0.049470  -0.216166  -0.052333
-    1SOL     O4    4  -0.017904   0.132513   0.012578
-    1SOL     H5    5  -0.021135   0.198612   0.081735
-    1SOL     H6    6  -0.102254   0.140277  -0.032000
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112140  -0.092792   0.021112
-    0SOL     H2    2   0.084856  -0.168238  -0.031098
-    0SOL     H3    3   0.041191  -0.029406   0.010590
-    1SOL     O4    4  -0.100093   0.091902  -0.017575
-    1SOL     H5    5  -0.158649   0.101487   0.057536
-    1SOL     H6    6  -0.153890   0.115587  -0.093121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002351   0.143194  -0.006284
-    0SOL     H2    2  -0.017347   0.111890   0.082921
-    0SOL     H3    3   0.081500   0.189144  -0.001814
-    1SOL     O4    4  -0.005291  -0.147612   0.005979
-    1SOL     H5    5  -0.032446  -0.071579  -0.045440
-    1SOL     H6    6   0.083146  -0.167176  -0.024981
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082796  -0.116216   0.023862
-    0SOL     H2    2   0.003286  -0.118378  -0.017943
-    0SOL     H3    3  -0.142921  -0.148345  -0.043333
-    1SOL     O4    4   0.085817   0.119069  -0.023101
-    1SOL     H5    5   0.099797   0.142992   0.068521
-    1SOL     H6    6  -0.001060   0.078906  -0.024430
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.148436   0.003317   0.012244
-    0SOL     H2    2  -0.193580   0.073205  -0.035085
-    0SOL     H3    3  -0.057461   0.009494  -0.016872
-    1SOL     O4    4   0.143397  -0.006147  -0.012853
-    1SOL     H5    5   0.117336   0.016582   0.076403
-    1SOL     H6    6   0.222153  -0.059460  -0.002019
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.042425  -0.032918  -0.142309
-    0SOL     H2    2  -0.032666  -0.014144  -0.048957
-    0SOL     H3    3   0.045020  -0.019328  -0.178791
-    1SOL     O4    4   0.029947   0.030855   0.137925
-    1SOL     H5    5   0.092477   0.087858   0.093170
-    1SOL     H6    6   0.083602  -0.021731   0.197240
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000394  -0.015363   0.150776
-    0SOL     H2    2   0.049122  -0.014779   0.068389
-    0SOL     H3    3  -0.053018  -0.094680   0.146505
-    1SOL     O4    4   0.003095   0.024404  -0.141195
-    1SOL     H5    5  -0.086971  -0.007899  -0.143830
-    1SOL     H6    6   0.045506  -0.016583  -0.216585
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071917  -0.114847   0.055147
-    0SOL     H2    2   0.121697  -0.039724   0.087407
-    0SOL     H3    3   0.103296  -0.188656   0.107395
-    1SOL     O4    4  -0.078228   0.118974  -0.055499
-    1SOL     H5    5  -0.094308   0.024614  -0.055518
-    1SOL     H6    6  -0.035100   0.135986  -0.139241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009546   0.007232  -0.154091
-    0SOL     H2    2  -0.020820   0.096800  -0.168851
-    0SOL     H3    3   0.020831   0.001042  -0.059240
-    1SOL     O4    4  -0.008136  -0.014963   0.144873
-    1SOL     H5    5  -0.086269  -0.011483   0.200058
-    1SOL     H6    6   0.053407   0.045331   0.186579
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124465   0.061187  -0.074608
-    0SOL     H2    2  -0.056718   0.128256  -0.065983
-    0SOL     H3    3  -0.075990  -0.020715  -0.084831
-    1SOL     O4    4   0.122577  -0.062698   0.072824
-    1SOL     H5    5   0.105530   0.031412   0.076715
-    1SOL     H6    6   0.041563  -0.103068   0.103959
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.052324   0.140203  -0.017585
-    0SOL     H2    2  -0.090956   0.062960   0.023687
-    0SOL     H3    3  -0.127391   0.193677  -0.043429
-    1SOL     O4    4   0.057420  -0.133357   0.018415
-    1SOL     H5    5   0.109786  -0.198407   0.065199
-    1SOL     H6    6   0.033005  -0.176564  -0.063435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085439  -0.121361  -0.038444
-    0SOL     H2    2   0.163717  -0.085605   0.003466
-    0SOL     H3    3   0.038392  -0.165497   0.032273
-    1SOL     O4    4  -0.088386   0.127604   0.035592
-    1SOL     H5    5  -0.056352   0.042507   0.065504
-    1SOL     H6    6  -0.097077   0.117990  -0.059246
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.129889   0.091223  -0.008184
-    0SOL     H2    2   0.078848   0.010928   0.002299
-    0SOL     H3    3   0.118091   0.115335  -0.100063
-    1SOL     O4    4  -0.122977  -0.081820   0.014525
-    1SOL     H5    5  -0.152700  -0.109226  -0.072237
-    1SOL     H6    6  -0.147370  -0.154197   0.072221
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.147082  -0.041030  -0.001402
-    0SOL     H2    2   0.147324   0.054015   0.009940
-    0SOL     H3    3   0.221238  -0.058472  -0.059359
-    1SOL     O4    4  -0.155919   0.039444   0.000423
-    1SOL     H5    5  -0.102428   0.080799   0.068179
-    1SOL     H6    6  -0.126511  -0.051634  -0.001107
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130732  -0.065986   0.032316
-    0SOL     H2    2  -0.194582  -0.118002   0.081100
-    0SOL     H3    3  -0.175897  -0.042371  -0.048707
-    1SOL     O4    4   0.141188   0.065867  -0.035437
-    1SOL     H5    5   0.055259   0.031690  -0.010731
-    1SOL     H6    6   0.160884   0.131719   0.031181
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070834   0.134226   0.026713
-    0SOL     H2    2  -0.011049   0.122111   0.074784
-    0SOL     H3    3   0.128321   0.179664   0.088300
-    1SOL     O4    4  -0.065450  -0.133131  -0.038415
-    1SOL     H5    5  -0.158854  -0.153839  -0.035377
-    1SOL     H6    6  -0.032470  -0.158300   0.047847
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079147   0.035658   0.125878
-    0SOL     H2    2  -0.155999   0.007103   0.175282
-    0SOL     H3    3  -0.108165   0.114326   0.079709
-    1SOL     O4    4   0.087291  -0.042312  -0.131461
-    1SOL     H5    5   0.102976   0.051119  -0.117788
-    1SOL     H6    6   0.033662  -0.068830  -0.056742
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.136672  -0.023453   0.062383
-    0SOL     H2    2  -0.191070  -0.083237   0.011109
-    0SOL     H3    3  -0.199276   0.031974   0.108976
-    1SOL     O4    4   0.145363   0.023131  -0.068689
-    1SOL     H5    5   0.057629   0.049778  -0.041212
-    1SOL     H6    6   0.191269   0.003787   0.013047
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009134   0.158192   0.023947
-    0SOL     H2    2   0.034958   0.120879  -0.052381
-    0SOL     H3    3   0.058485   0.161210   0.091629
-    1SOL     O4    4   0.003951  -0.158206  -0.028696
-    1SOL     H5    5   0.065406  -0.133915   0.040553
-    1SOL     H6    6  -0.082472  -0.142163   0.009199
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.073926  -0.006847  -0.143392
-    0SOL     H2    2   0.021419  -0.044033  -0.214261
-    0SOL     H3    3   0.016268  -0.009205  -0.067022
-    1SOL     O4    4  -0.066988   0.006239   0.137981
-    1SOL     H5    5  -0.093608   0.097850   0.145792
-    1SOL     H6    6  -0.049736  -0.021496   0.227956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119023  -0.112594   0.002806
-    0SOL     H2    2  -0.091743  -0.116576   0.094470
-    0SOL     H3    3  -0.077707  -0.033186  -0.031102
-    1SOL     O4    4   0.112315   0.108240  -0.000139
-    1SOL     H5    5   0.099978   0.052557  -0.077013
-    1SOL     H6    6   0.179674   0.170939  -0.026482
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126743   0.055098  -0.067866
-    0SOL     H2    2  -0.170853   0.099285   0.004688
-    0SOL     H3    3  -0.195931   0.039647  -0.132182
-    1SOL     O4    4   0.133262  -0.062535   0.071167
-    1SOL     H5    5   0.205713  -0.025187   0.020985
-    1SOL     H6    6   0.059246  -0.004549   0.053239
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028913   0.151292   0.067587
-    0SOL     H2    2   0.012659   0.065102   0.069886
-    0SOL     H3    3  -0.119459   0.133590   0.042083
-    1SOL     O4    4   0.031392  -0.139495  -0.062896
-    1SOL     H5    5  -0.031067  -0.170429  -0.128503
-    1SOL     H6    6   0.099037  -0.207172  -0.060372
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104858   0.124259  -0.027117
-    0SOL     H2    2  -0.090721   0.038529   0.013041
-    0SOL     H3    3  -0.185375   0.156680   0.013235
-    1SOL     O4    4   0.101857  -0.119532   0.024822
-    1SOL     H5    5   0.175387  -0.064828  -0.002801
-    1SOL     H6    6   0.136253  -0.208833   0.022690
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.111379  -0.096001   0.061157
-    0SOL     H2    2  -0.114929  -0.176309   0.113122
-    0SOL     H3    3  -0.176672  -0.038596   0.101205
-    1SOL     O4    4   0.117770   0.101056  -0.061894
-    1SOL     H5    5   0.026844   0.071385  -0.065677
-    1SOL     H6    6   0.160825   0.055781  -0.134412
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.143375   0.058075   0.059335
-    0SOL     H2    2   0.093048  -0.018875   0.085945
-    0SOL     H3    3   0.134030   0.119282   0.132333
-    1SOL     O4    4  -0.146723  -0.057893  -0.063521
-    1SOL     H5    5  -0.076199  -0.045722   0.000044
-    1SOL     H6    6  -0.101861  -0.068412  -0.147420
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.107204   0.098324   0.065911
-    0SOL     H2    2  -0.160445   0.082072   0.143780
-    0SOL     H3    3  -0.082844   0.190669   0.072340
-    1SOL     O4    4   0.114882  -0.104000  -0.067258
-    1SOL     H5    5   0.112374  -0.085678  -0.161175
-    1SOL     H6    6   0.023772  -0.096465  -0.038895
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.164572  -0.045516   0.006613
-    0SOL     H2    2  -0.072397  -0.021369  -0.002504
-    0SOL     H3    3  -0.188702  -0.015458   0.094229
-    1SOL     O4    4   0.155799   0.039484  -0.012785
-    1SOL     H5    5   0.184128   0.053056   0.077634
-    1SOL     H6    6   0.222336   0.083534  -0.065649
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109756  -0.098662   0.078897
-    0SOL     H2    2   0.072660  -0.020652   0.120134
-    0SOL     H3    3   0.082436  -0.170955   0.135374
-    1SOL     O4    4  -0.101130   0.101698  -0.081055
-    1SOL     H5    5  -0.195492   0.113794  -0.091637
-    1SOL     H6    6  -0.079779   0.028135  -0.138455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079079  -0.117443   0.104413
-    0SOL     H2    2   0.154481  -0.058478   0.104789
-    0SOL     H3    3   0.026172  -0.088273   0.030168
-    1SOL     O4    4  -0.076055   0.108484  -0.097091
-    1SOL     H5    5  -0.054289   0.182990  -0.153104
-    1SOL     H6    6  -0.171709   0.105031  -0.097843
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.159142   0.035418   0.037471
-    0SOL     H2    2   0.188599   0.098746   0.102925
-    0SOL     H3    3   0.225507  -0.033538   0.039225
-    1SOL     O4    4  -0.169367  -0.035488  -0.038662
-    1SOL     H5    5  -0.106609  -0.102083  -0.066750
-    1SOL     H6    6  -0.127007   0.047756  -0.059600
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135674  -0.093713   0.042444
-    0SOL     H2    2   0.156029  -0.049895  -0.040188
-    0SOL     H3    3   0.217438  -0.136645   0.067619
-    1SOL     O4    4  -0.141403   0.097641  -0.045013
-    1SOL     H5    5  -0.069507   0.082815   0.016415
-    1SOL     H6    6  -0.213086   0.043775  -0.011512
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046416   0.089525  -0.144479
-    0SOL     H2    2   0.123520   0.046157  -0.107920
-    0SOL     H3    3   0.045206   0.175609  -0.102642
-    1SOL     O4    4  -0.051714  -0.098313   0.138257
-    1SOL     H5    5  -0.113095  -0.026667   0.122086
-    1SOL     H6    6   0.023294  -0.056559   0.180596
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056721  -0.157916  -0.033487
-    0SOL     H2    2   0.119693  -0.159602  -0.105557
-    0SOL     H3    3   0.103505  -0.197237   0.040184
-    1SOL     O4    4  -0.062012   0.166566   0.035017
-    1SOL     H5    5  -0.144684   0.118356   0.036889
-    1SOL     H6    6   0.003445   0.101029   0.010875
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091596  -0.119100  -0.099427
-    0SOL     H2    2  -0.030812  -0.062470  -0.051882
-    0SOL     H3    3  -0.066905  -0.207888  -0.073556
-    1SOL     O4    4   0.081924   0.118965   0.091124
-    1SOL     H5    5   0.091038   0.100712   0.184644
-    1SOL     H6    6   0.155748   0.176318   0.070560
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120775  -0.092128   0.077402
-    0SOL     H2    2   0.132269  -0.185952   0.062327
-    0SOL     H3    3   0.187422  -0.069927   0.142423
-    1SOL     O4    4  -0.124073   0.093881  -0.085021
-    1SOL     H5    5  -0.212507   0.098311  -0.048661
-    1SOL     H6    6  -0.069365   0.138837  -0.020613
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012102   0.144646  -0.116338
-    0SOL     H2    2  -0.002453   0.070568  -0.057491
-    0SOL     H3    3   0.054162   0.210915  -0.061550
-    1SOL     O4    4  -0.014384  -0.138265   0.111173
-    1SOL     H5    5  -0.076681  -0.204595   0.081477
-    1SOL     H6    6   0.063480  -0.187981   0.136229
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.127126   0.079867   0.111905
-    0SOL     H2    2  -0.139839   0.064116   0.018349
-    0SOL     H3    3  -0.114539  -0.007290   0.149422
-    1SOL     O4    4   0.125621  -0.071859  -0.103292
-    1SOL     H5    5   0.128208  -0.030883  -0.189759
-    1SOL     H6    6   0.154605  -0.161811  -0.118486
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034667  -0.021865  -0.182148
-    0SOL     H2    2   0.110603  -0.012867  -0.124571
-    0SOL     H3    3   0.005992   0.068024  -0.198274
-    1SOL     O4    4  -0.033162   0.012663   0.175671
-    1SOL     H5    5  -0.013937   0.086846   0.233026
-    1SOL     H6    6  -0.127892   0.000843   0.182660
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018237   0.113876   0.140208
-    0SOL     H2    2  -0.042718   0.201235   0.170728
-    0SOL     H3    3  -0.100831   0.074009   0.112801
-    1SOL     O4    4   0.025175  -0.117680  -0.147057
-    1SOL     H5    5   0.006316  -0.180580  -0.077414
-    1SOL     H6    6   0.042348  -0.035467  -0.101139
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058273   0.021123  -0.177248
-    0SOL     H2    2  -0.126798  -0.044893  -0.166830
-    0SOL     H3    3   0.022075  -0.023176  -0.149970
-    1SOL     O4    4   0.058823  -0.013578   0.169164
-    1SOL     H5    5  -0.027323  -0.033690   0.205725
-    1SOL     H6    6   0.119755  -0.029195   0.241315
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.147445  -0.100263  -0.024011
-    0SOL     H2    2   0.233655  -0.059242  -0.030904
-    0SOL     H3    3   0.158573  -0.186408  -0.064229
-    1SOL     O4    4  -0.153465   0.102931   0.032970
-    1SOL     H5    5  -0.222060   0.117935  -0.032082
-    1SOL     H6    6  -0.074244   0.088114  -0.018671
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134219   0.115284  -0.059096
-    0SOL     H2    2  -0.211146   0.121075  -0.115762
-    0SOL     H3    3  -0.166541   0.074283   0.021131
-    1SOL     O4    4   0.141577  -0.106862   0.059135
-    1SOL     H5    5   0.097313  -0.172215   0.113284
-    1SOL     H6    6   0.163302  -0.153368  -0.021658
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.184527   0.025375  -0.026113
-    0SOL     H2    2  -0.178938   0.105363   0.026166
-    0SOL     H3    3  -0.234979  -0.035259   0.028112
-    1SOL     O4    4   0.181840  -0.023396   0.021954
-    1SOL     H5    5   0.189352  -0.117305   0.005013
-    1SOL     H6    6   0.271147   0.009842   0.012909
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.188405  -0.021850   0.040234
-    0SOL     H2    2   0.156907   0.015066  -0.042273
-    0SOL     H3    3   0.257931  -0.082378   0.014451
-    1SOL     O4    4  -0.188333   0.030093  -0.031800
-    1SOL     H5    5  -0.136395  -0.031245  -0.083785
-    1SOL     H6    6  -0.271330  -0.015247  -0.017034
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059808   0.102889   0.163311
-    0SOL     H2    2   0.141318   0.056858   0.143325
-    0SOL     H3    3  -0.008744   0.047832   0.125473
-    1SOL     O4    4  -0.059088  -0.094585  -0.153970
-    1SOL     H5    5  -0.136881  -0.146231  -0.175023
-    1SOL     H6    6  -0.008083  -0.093916  -0.234966
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.188305   0.043553  -0.006198
-    0SOL     H2    2  -0.212169   0.043789  -0.098895
-    0SOL     H3    3  -0.218606   0.128220   0.026600
-    1SOL     O4    4   0.189556  -0.054604   0.009630
-    1SOL     H5    5   0.128516   0.017905   0.023004
-    1SOL     H6    6   0.273651  -0.012295  -0.007701
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148865   0.112235   0.081591
-    0SOL     H2    2   0.076993   0.106278   0.144529
-    0SOL     H3    3   0.105686   0.119794  -0.003501
-    1SOL     O4    4  -0.142662  -0.106374  -0.081430
-    1SOL     H5    5  -0.130258  -0.144694   0.005404
-    1SOL     H6    6  -0.133245  -0.180088  -0.141761
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006155  -0.130436   0.153028
-    0SOL     H2    2  -0.086609  -0.119529   0.203729
-    0SOL     H3    3   0.020800  -0.041198   0.131295
-    1SOL     O4    4   0.012719   0.120335  -0.153859
-    1SOL     H5    5  -0.027610   0.181059  -0.091822
-    1SOL     H6    6  -0.016834   0.150600  -0.239725
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.072819   0.151260  -0.110062
-    0SOL     H2    2  -0.034407   0.233776  -0.080432
-    0SOL     H3    3  -0.098936   0.106651  -0.029500
-    1SOL     O4    4   0.069010  -0.158142   0.107556
-    1SOL     H5    5   0.151756  -0.115859   0.130523
-    1SOL     H6    6   0.042878  -0.116672   0.025338
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149446  -0.074049   0.120411
-    0SOL     H2    2   0.139721  -0.020305   0.199019
-    0SOL     H3    3   0.197872  -0.018578   0.059253
-    1SOL     O4    4  -0.148987   0.062626  -0.124037
-    1SOL     H5    5  -0.226693   0.108820  -0.155504
-    1SOL     H6    6  -0.122904   0.110406  -0.045303
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079326   0.083350  -0.173452
-    0SOL     H2    2   0.166686   0.122191  -0.178148
-    0SOL     H3    3   0.062088   0.074312  -0.079732
-    1SOL     O4    4  -0.079420  -0.079126   0.166557
-    1SOL     H5    5  -0.076438  -0.116233   0.254742
-    1SOL     H6    6  -0.138672  -0.136741   0.118267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127201  -0.127591   0.094981
-    0SOL     H2    2   0.133649  -0.081839   0.178811
-    0SOL     H3    3   0.100317  -0.216486   0.118162
-    1SOL     O4    4  -0.132187   0.128621  -0.101481
-    1SOL     H5    5  -0.088283   0.208133  -0.071273
-    1SOL     H6    6  -0.063182   0.062309  -0.103275
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.177729   0.095437  -0.053975
-    0SOL     H2    2   0.192609   0.167365  -0.115353
-    0SOL     H3    3   0.101299   0.049557  -0.088843
-    1SOL     O4    4  -0.170705  -0.096687   0.065332
-    1SOL     H5    5  -0.227533  -0.030613   0.025746
-    1SOL     H6    6  -0.174426  -0.170845   0.004925
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128929   0.128889  -0.103380
-    0SOL     H2    2   0.081501   0.207802  -0.129566
-    0SOL     H3    3   0.149811   0.142973  -0.011034
-    1SOL     O4    4  -0.122818  -0.137311   0.105037
-    1SOL     H5    5  -0.205410  -0.089760   0.113968
-    1SOL     H6    6  -0.107926  -0.142018   0.010600
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.192496   0.025506  -0.075754
-    0SOL     H2    2   0.278464   0.066964  -0.083040
-    0SOL     H3    3   0.210667  -0.061221  -0.039553
-    1SOL     O4    4  -0.200168  -0.027710   0.077004
-    1SOL     H5    5  -0.110385   0.005183   0.081419
-    1SOL     H6    6  -0.245355   0.033578   0.019002
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.175838   0.087802   0.103255
-    0SOL     H2    2  -0.164852   0.026424   0.030630
-    0SOL     H3    3  -0.114597   0.158835   0.084117
-    1SOL     O4    4   0.167641  -0.089963  -0.091966
-    1SOL     H5    5   0.179023  -0.008541  -0.140988
-    1SOL     H6    6   0.220651  -0.154085  -0.139301
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059043  -0.052484  -0.210540
-    0SOL     H2    2   0.034671  -0.033039  -0.209144
-    0SOL     H3    3  -0.097225   0.008891  -0.147790
-    1SOL     O4    4   0.050341   0.045841   0.203101
-    1SOL     H5    5   0.098698  -0.002934   0.269771
-    1SOL     H6    6   0.095359   0.130139   0.197664
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080274  -0.194171   0.044875
-    0SOL     H2    2   0.050372  -0.274284   0.001863
-    0SOL     H3    3   0.175117  -0.204825   0.052191
-    1SOL     O4    4  -0.081598   0.204542  -0.041362
-    1SOL     H5    5  -0.172252   0.175409  -0.051134
-    1SOL     H6    6  -0.029168   0.127153  -0.061963
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.184264   0.066071  -0.119945
-    0SOL     H2    2  -0.211984   0.157684  -0.120919
-    0SOL     H3    3  -0.173378   0.045277  -0.027147
-    1SOL     O4    4   0.187754  -0.073849   0.118726
-    1SOL     H5    5   0.210511   0.016900   0.098499
-    1SOL     H6    6   0.110742  -0.091867   0.064812
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113537  -0.115379   0.172024
-    0SOL     H2    2   0.022520  -0.141122   0.186707
-    0SOL     H3    3   0.108367  -0.024174   0.143438
-    1SOL     O4    4  -0.107104   0.117613  -0.171355
-    1SOL     H5    5  -0.160378   0.077632  -0.102611
-    1SOL     H6    6  -0.090067   0.046389  -0.232992
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.115330  -0.096664  -0.175004
-    0SOL     H2    2   0.048278  -0.149456  -0.218356
-    0SOL     H3    3   0.146459  -0.036878  -0.242966
-    1SOL     O4    4  -0.111035   0.097602   0.186985
-    1SOL     H5    5  -0.074065   0.122802   0.102366
-    1SOL     H6    6  -0.190165   0.048467   0.164928
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.166746  -0.014630  -0.176537
-    0SOL     H2    2   0.090580   0.042435  -0.166311
-    0SOL     H3    3   0.168402  -0.067027  -0.096449
-    1SOL     O4    4  -0.162460   0.017196   0.165271
-    1SOL     H5    5  -0.096934   0.021468   0.234916
-    1SOL     H6    6  -0.234232  -0.033719   0.202937
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.093256   0.112841   0.199546
-    0SOL     H2    2   0.101991   0.141609   0.108670
-    0SOL     H3    3   0.008762   0.147848   0.227785
-    1SOL     O4    4  -0.087303  -0.114612  -0.202053
-    1SOL     H5    5  -0.159446  -0.078002  -0.150893
-    1SOL     H6    6  -0.048990  -0.181372  -0.145153
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.126237   0.079621  -0.193874
-    0SOL     H2    2  -0.200281   0.045446  -0.243994
-    0SOL     H3    3  -0.158615   0.085130  -0.103965
-    1SOL     O4    4   0.135705  -0.080188   0.187603
-    1SOL     H5    5   0.160977  -0.049503   0.274678
-    1SOL     H6    6   0.040740  -0.068550   0.184683
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.030153   0.214974  -0.114096
-    0SOL     H2    2   0.020639   0.207304  -0.033326
-    0SOL     H3    3  -0.010779   0.302984  -0.146363
-    1SOL     O4    4   0.025172  -0.217593   0.105557
-    1SOL     H5    5  -0.034980  -0.220162   0.179971
-    1SOL     H6    6   0.108651  -0.248079   0.141114
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.186622   0.065462  -0.158087
-    0SOL     H2    2  -0.152575  -0.003080  -0.215578
-    0SOL     H3    3  -0.267648   0.094090  -0.200248
-    1SOL     O4    4   0.189272  -0.067220   0.168901
-    1SOL     H5    5   0.111157  -0.030837   0.127227
-    1SOL     H6    6   0.262164  -0.033526   0.116806
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.141947  -0.174187  -0.129170
-    0SOL     H2    2  -0.090310  -0.144932  -0.204271
-    0SOL     H3    3  -0.181972  -0.256201  -0.158050
-    1SOL     O4    4   0.140328   0.181652   0.139582
-    1SOL     H5    5   0.192524   0.187119   0.059531
-    1SOL     H6    6   0.101488   0.094204   0.136981
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.219714  -0.118056  -0.103023
-    0SOL     H2    2  -0.197011  -0.094146  -0.013161
-    0SOL     H3    3  -0.306993  -0.156767  -0.096236
-    1SOL     O4    4   0.226423   0.121387   0.092166
-    1SOL     H5    5   0.215185   0.158694   0.179598
-    1SOL     H6    6   0.181799   0.036804   0.096248
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.260068  -0.046331   0.078993
-    0SOL     H2    2   0.336045  -0.060427   0.135482
-    0SOL     H3    3   0.247981  -0.129815   0.033752
-    1SOL     O4    4  -0.266291   0.055024  -0.085339
-    1SOL     H5    5  -0.232658   0.100009  -0.007830
-    1SOL     H6    6  -0.263668  -0.037826  -0.062225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.279042  -0.033933   0.018274
-    0SOL     H2    2  -0.304349   0.038203   0.075878
-    0SOL     H3    3  -0.349522  -0.098014   0.027678
-    1SOL     O4    4   0.287861   0.035839  -0.025689
-    1SOL     H5    5   0.208844  -0.014452  -0.045424
-    1SOL     H6    6   0.288286   0.043405   0.069730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017525  -0.120868   0.264374
-    0SOL     H2    2  -0.016906  -0.025406   0.257385
-    0SOL     H3    3   0.049457  -0.140572   0.329853
-    1SOL     O4    4   0.014531   0.121825  -0.265937
-    1SOL     H5    5   0.065178   0.042772  -0.247285
-    1SOL     H6    6  -0.056342   0.092024  -0.322956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.003179  -0.140036   0.263159
-    0SOL     H2    2  -0.084148  -0.139116   0.302344
-    0SOL     H3    3   0.004237  -0.218777   0.208744
-    1SOL     O4    4   0.000602   0.149139  -0.257611
-    1SOL     H5    5   0.062520   0.076800  -0.247834
-    1SOL     H6    6  -0.037413   0.136605  -0.344560
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009585  -0.164564   0.251663
-    0SOL     H2    2  -0.063602  -0.085906   0.244083
-    0SOL     H3    3   0.064064  -0.137889   0.306676
-    1SOL     O4    4   0.006711   0.151940  -0.253539
-    1SOL     H5    5  -0.025513   0.215024  -0.317916
-    1SOL     H6    6   0.069728   0.201287  -0.201042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037047  -0.067756  -0.294612
-    0SOL     H2    2  -0.021657  -0.005198  -0.337069
-    0SOL     H3    3   0.086592  -0.106834  -0.366589
-    1SOL     O4    4  -0.032079   0.062094   0.304788
-    1SOL     H5    5  -0.017290   0.107911   0.222058
-    1SOL     H6    6  -0.120980   0.086740   0.330312
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.194050   0.189967   0.172344
-    0SOL     H2    2  -0.202217   0.221049   0.262507
-    0SOL     H3    3  -0.246871   0.110188   0.169583
-    1SOL     O4    4   0.203801  -0.186520  -0.176110
-    1SOL     H5    5   0.143437  -0.238797  -0.123331
-    1SOL     H6    6   0.148619  -0.147007  -0.243608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113441   0.258334   0.163775
-    0SOL     H2    2   0.206999   0.266372   0.182339
-    0SOL     H3    3   0.082237   0.348652   0.158181
-    1SOL     O4    4  -0.120391  -0.263534  -0.169889
-    1SOL     H5    5  -0.051222  -0.325902  -0.147794
-    1SOL     H6    6  -0.128805  -0.208460  -0.092053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140271  -0.269038  -0.146183
-    0SOL     H2    2  -0.190679  -0.348885  -0.130507
-    0SOL     H3    3  -0.146015  -0.255203  -0.240724
-    1SOL     O4    4   0.148715   0.271990   0.153771
-    1SOL     H5    5   0.140277   0.299713   0.062543
-    1SOL     H6    6   0.059124   0.252628   0.181354
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.329053  -0.008535  -0.139253
-    0SOL     H2    2  -0.312796  -0.102578  -0.131912
-    0SOL     H3    3  -0.267145   0.021396  -0.205840
-    1SOL     O4    4   0.323913   0.013994   0.148924
-    1SOL     H5    5   0.381727   0.044912   0.079182
-    1SOL     H6    6   0.278127  -0.060879   0.110714
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.253212  -0.167324   0.183388
-    0SOL     H2    2   0.164181  -0.195475   0.204443
-    0SOL     H3    3   0.300383  -0.172744   0.266502
-    1SOL     O4    4  -0.245613   0.170104  -0.188933
-    1SOL     H5    5  -0.302107   0.202541  -0.259066
-    1SOL     H6    6  -0.303528   0.117364  -0.133918
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.219161  -0.270887  -0.102008
-    0SOL     H2    2  -0.238030  -0.195772  -0.158258
-    0SOL     H3    3  -0.225620  -0.236400  -0.012950
-    1SOL     O4    4   0.221011   0.258283   0.096840
-    1SOL     H5    5   0.160301   0.328850   0.074548
-    1SOL     H6    6   0.273574   0.293623   0.168607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.177809   0.332102  -0.229599
-    0SOL     H2    2   0.217478   0.301282  -0.311078
-    0SOL     H3    3   0.203981   0.423967  -0.223412
-    1SOL     O4    4  -0.182650  -0.333433   0.228354
-    1SOL     H5    5  -0.205174  -0.419942   0.262578
-    1SOL     H6    6  -0.139261  -0.289291   0.301368
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.355153   0.286843  -0.148307
-    0SOL     H2    2   0.320061   0.357798  -0.094490
-    0SOL     H3    3   0.444054   0.314905  -0.170020
-    1SOL     O4    4  -0.359435  -0.289902   0.152547
-    1SOL     H5    5  -0.347416  -0.381649   0.128044
-    1SOL     H6    6  -0.353596  -0.242019   0.069870
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/600K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.265785  -0.061190  -0.417911
-    0SOL     H2    2  -0.213157   0.007190  -0.459345
-    0SOL     H3    3  -0.310594  -0.104368  -0.490644
-    1SOL     O4    4   0.260644   0.055773   0.426279
-    1SOL     H5    5   0.252715   0.144658   0.391654
-    1SOL     H6    6   0.354918   0.039440   0.429107
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017087  -0.115134   0.043649
-    0SOL     H2    2  -0.068957  -0.097101   0.122050
-    0SOL     H3    3   0.045112  -0.182552   0.071006
-    1SOL     O4    4   0.009413   0.121168  -0.049833
-    1SOL     H5    5   0.089873   0.168952  -0.069961
-    1SOL     H6    6   0.038768   0.032516  -0.028823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.072037  -0.071491   0.076273
-    0SOL     H2    2   0.159168  -0.076332   0.036939
-    0SOL     H3    3   0.042168  -0.162367   0.079695
-    1SOL     O4    4  -0.081108   0.079660  -0.073750
-    1SOL     H5    5  -0.026420   0.044043  -0.003728
-    1SOL     H6    6  -0.030840   0.064130  -0.153714
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063685  -0.119956  -0.014803
-    0SOL     H2    2   0.044717  -0.143435  -0.105639
-    0SOL     H3    3   0.000414  -0.051185   0.005924
-    1SOL     O4    4  -0.063900   0.112795   0.016484
-    1SOL     H5    5  -0.026517   0.119309   0.104361
-    1SOL     H6    6  -0.020699   0.182286  -0.033186
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.057139  -0.050198   0.106471
-    0SOL     H2    2   0.151688  -0.036228   0.101204
-    0SOL     H3    3   0.031830  -0.011702   0.190375
-    1SOL     O4    4  -0.065337   0.045284  -0.115277
-    1SOL     H5    5  -0.022890   0.130905  -0.109838
-    1SOL     H6    6  -0.026798  -0.005200  -0.043664
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021307  -0.112257   0.065981
-    0SOL     H2    2  -0.056387  -0.148334   0.023267
-    0SOL     H3    3   0.051763  -0.182375   0.123586
-    1SOL     O4    4  -0.017856   0.121020  -0.072112
-    1SOL     H5    5   0.023216   0.039929  -0.042118
-    1SOL     H6    6  -0.080312   0.143254  -0.003067
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.015175   0.087496   0.106246
-    0SOL     H2    2   0.066694   0.136869   0.110954
-    0SOL     H3    3  -0.078649   0.141758   0.153032
-    1SOL     O4    4   0.014380  -0.093826  -0.115077
-    1SOL     H5    5  -0.037857  -0.024185  -0.075281
-    1SOL     H6    6   0.063209  -0.131900  -0.042081
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021066   0.140073   0.053336
-    0SOL     H2    2   0.009282   0.065516  -0.005526
-    0SOL     H3    3  -0.032980   0.119257   0.129547
-    1SOL     O4    4  -0.018110  -0.127008  -0.051874
-    1SOL     H5    5  -0.011962  -0.206747   0.000721
-    1SOL     H6    6  -0.006369  -0.156795  -0.142081
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031744   0.126744   0.070864
-    0SOL     H2    2   0.015258   0.086574   0.156170
-    0SOL     H3    3  -0.041180   0.097618   0.016128
-    1SOL     O4    4  -0.029093  -0.125705  -0.078146
-    1SOL     H5    5   0.058329  -0.129313  -0.039329
-    1SOL     H6    6  -0.081763  -0.077700  -0.014241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058620   0.004390  -0.140392
-    0SOL     H2    2  -0.060640   0.005479  -0.044699
-    0SOL     H3    3   0.029019   0.035612  -0.162903
-    1SOL     O4    4   0.057583  -0.004730   0.132240
-    1SOL     H5    5   0.013537   0.048514   0.198478
-    1SOL     H6    6   0.020448  -0.092266   0.143230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110103   0.055835   0.069274
-    0SOL     H2    2  -0.184644   0.078606   0.124838
-    0SOL     H3    3  -0.111459   0.121173  -0.000664
-    1SOL     O4    4   0.114604  -0.060270  -0.074761
-    1SOL     H5    5   0.040245  -0.048440  -0.015658
-    1SOL     H6    6   0.186468  -0.087600  -0.017745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.080761   0.016846  -0.124104
-    0SOL     H2    2   0.046542   0.070880  -0.052889
-    0SOL     H3    3   0.077326   0.073623  -0.201091
-    1SOL     O4    4  -0.079676  -0.018585   0.120211
-    1SOL     H5    5  -0.139675  -0.055794   0.184849
-    1SOL     H6    6   0.001882  -0.067187   0.132399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074066  -0.130801   0.001715
-    0SOL     H2    2   0.090972  -0.039116  -0.019970
-    0SOL     H3    3   0.153313  -0.159780   0.046909
-    1SOL     O4    4  -0.080963   0.125395  -0.009205
-    1SOL     H5    5  -0.079480   0.215953   0.021767
-    1SOL     H6    6  -0.055616   0.073506   0.067133
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037806  -0.090875   0.111969
-    0SOL     H2    2   0.049157  -0.179379   0.077319
-    0SOL     H3    3  -0.033448  -0.098885   0.175380
-    1SOL     O4    4  -0.036486   0.102794  -0.113714
-    1SOL     H5    5  -0.001090   0.054280  -0.188251
-    1SOL     H6    6  -0.032184   0.041070  -0.040679
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.045426   0.102610   0.111886
-    0SOL     H2    2  -0.019623   0.106391   0.041767
-    0SOL     H3    3   0.129130   0.092934   0.066473
-    1SOL     O4    4  -0.041533  -0.107505  -0.103936
-    1SOL     H5    5  -0.118124  -0.080112  -0.053480
-    1SOL     H6    6  -0.040277  -0.048725  -0.179471
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079535   0.125403  -0.054858
-    0SOL     H2    2  -0.004337   0.164699  -0.010547
-    0SOL     H3    3  -0.120887   0.070737   0.011956
-    1SOL     O4    4   0.082024  -0.127442   0.043942
-    1SOL     H5    5   0.036495  -0.171904   0.115444
-    1SOL     H6    6   0.059867  -0.035003   0.055187
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074054  -0.100430  -0.087767
-    0SOL     H2    2   0.068725  -0.155403  -0.009588
-    0SOL     H3    3   0.041330  -0.156031  -0.158478
-    1SOL     O4    4  -0.075511   0.103203   0.089161
-    1SOL     H5    5  -0.070820   0.195864   0.112703
-    1SOL     H6    6  -0.007386   0.091799   0.022895
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025079   0.070456  -0.131302
-    0SOL     H2    2   0.006150   0.085821  -0.223865
-    0SOL     H3    3   0.109693   0.025703  -0.131217
-    1SOL     O4    4  -0.025147  -0.071783   0.140572
-    1SOL     H5    5  -0.120836  -0.073955   0.139438
-    1SOL     H6    6  -0.001812  -0.007343   0.073749
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006999   0.129812  -0.080317
-    0SOL     H2    2  -0.056264   0.196637  -0.127958
-    0SOL     H3    3   0.069030   0.112017  -0.135680
-    1SOL     O4    4   0.002365  -0.133975   0.081111
-    1SOL     H5    5   0.061549  -0.190152   0.131148
-    1SOL     H6    6   0.003440  -0.050399   0.127760
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.158093   0.051806  -0.015428
-    0SOL     H2    2  -0.138007  -0.014622   0.050498
-    0SOL     H3    3  -0.089822   0.041271  -0.081688
-    1SOL     O4    4   0.147971  -0.048451   0.019559
-    1SOL     H5    5   0.155569  -0.071282  -0.073088
-    1SOL     H6    6   0.225582   0.004571   0.037653
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050319  -0.083018   0.129642
-    0SOL     H2    2  -0.071680  -0.041095   0.046284
-    0SOL     H3    3  -0.106710  -0.160301   0.132782
-    1SOL     O4    4   0.049711   0.084610  -0.129918
-    1SOL     H5    5   0.064152   0.148602  -0.060213
-    1SOL     H6    6   0.119972   0.020587  -0.118655
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019284  -0.154825  -0.057076
-    0SOL     H2    2  -0.000952  -0.078310  -0.002564
-    0SOL     H3    3  -0.081367  -0.123209  -0.122715
-    1SOL     O4    4   0.016216   0.144598   0.056827
-    1SOL     H5    5   0.027643   0.239633   0.057224
-    1SOL     H6    6   0.103010   0.109905   0.077455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.036415  -0.158641   0.036781
-    0SOL     H2    2   0.101217  -0.143984   0.105688
-    0SOL     H3    3  -0.013346  -0.076965   0.032868
-    1SOL     O4    4  -0.031457   0.151443  -0.041754
-    1SOL     H5    5  -0.103780   0.151859  -0.104457
-    1SOL     H6    6  -0.071094   0.179346   0.040785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018374  -0.146454  -0.060202
-    0SOL     H2    2  -0.087629  -0.210615  -0.044413
-    0SOL     H3    3   0.057010  -0.180095  -0.011747
-    1SOL     O4    4   0.016515   0.156999   0.052734
-    1SOL     H5    5  -0.028538   0.072664   0.057219
-    1SOL     H6    6   0.086906   0.150062   0.117226
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.154912   0.020039   0.058506
-    0SOL     H2    2  -0.073165   0.051263   0.019714
-    0SOL     H3    3  -0.219731   0.029448  -0.011296
-    1SOL     O4    4   0.148223  -0.022196  -0.055231
-    1SOL     H5    5   0.194126   0.052382  -0.016589
-    1SOL     H6    6   0.208421  -0.095789  -0.044154
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.150975  -0.057349   0.002908
-    0SOL     H2    2   0.226012  -0.109134  -0.026248
-    0SOL     H3    3   0.134334   0.003454  -0.069123
-    1SOL     O4    4  -0.153696   0.062922   0.001448
-    1SOL     H5    5  -0.228298   0.005081  -0.014407
-    1SOL     H6    6  -0.089638   0.007721   0.046301
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041097   0.153403  -0.012365
-    0SOL     H2    2   0.063414   0.231137   0.038836
-    0SOL     H3    3   0.046493   0.182302  -0.103458
-    1SOL     O4    4  -0.048095  -0.157862   0.016830
-    1SOL     H5    5   0.010446  -0.100174  -0.032236
-    1SOL     H6    6  -0.001619  -0.241446   0.020827
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139435   0.000468   0.102953
-    0SOL     H2    2   0.087328  -0.073306   0.134649
-    0SOL     H3    3   0.143116  -0.011751   0.008088
-    1SOL     O4    4  -0.139399  -0.000657  -0.102531
-    1SOL     H5    5  -0.093777  -0.002330  -0.018399
-    1SOL     H6    6  -0.141009   0.091837  -0.127123
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062343  -0.144839   0.048483
-    0SOL     H2    2  -0.074743  -0.112500   0.137717
-    0SOL     H3    3  -0.130641  -0.210949   0.037208
-    1SOL     O4    4   0.064586   0.149986  -0.047635
-    1SOL     H5    5   0.055268   0.056251  -0.064642
-    1SOL     H6    6   0.112339   0.183514  -0.123516
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112744  -0.113190   0.064577
-    0SOL     H2    2   0.093048  -0.054553  -0.008471
-    0SOL     H3    3   0.204390  -0.137630   0.051696
-    1SOL     O4    4  -0.115238   0.107572  -0.053959
-    1SOL     H5    5  -0.204063   0.115735  -0.088684
-    1SOL     H6    6  -0.061316   0.159625  -0.113500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123455   0.005619   0.125125
-    0SOL     H2    2  -0.120998   0.091886   0.166528
-    0SOL     H3    3  -0.031645  -0.020822   0.119284
-    1SOL     O4    4   0.113404  -0.006349  -0.125249
-    1SOL     H5    5   0.119020  -0.095788  -0.158887
-    1SOL     H6    6   0.203171   0.026599  -0.129578
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149626  -0.104137  -0.023848
-    0SOL     H2    2   0.091889  -0.030233  -0.004691
-    0SOL     H3    3   0.090251  -0.177645  -0.039126
-    1SOL     O4    4  -0.137817   0.105284   0.022190
-    1SOL     H5    5  -0.214933   0.098330  -0.034086
-    1SOL     H6    6  -0.170967   0.088841   0.110468
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113014  -0.132951   0.034660
-    0SOL     H2    2   0.177045  -0.175185   0.091920
-    0SOL     H3    3   0.031627  -0.133651   0.085038
-    1SOL     O4    4  -0.109596   0.130477  -0.036558
-    1SOL     H5    5  -0.177195   0.195948  -0.019056
-    1SOL     H6    6  -0.081960   0.147973  -0.126516
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.099633  -0.080438   0.133324
-    0SOL     H2    2   0.161131  -0.048148   0.199186
-    0SOL     H3    3   0.111664  -0.021930   0.058529
-    1SOL     O4    4  -0.097797   0.072207  -0.132836
-    1SOL     H5    5  -0.119697   0.157128  -0.094482
-    1SOL     H6    6  -0.179086   0.042738  -0.173896
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050036   0.049298   0.166297
-    0SOL     H2    2  -0.105740  -0.028222   0.159221
-    0SOL     H3    3  -0.095444   0.105859   0.228757
-    1SOL     O4    4   0.057487  -0.042014  -0.169267
-    1SOL     H5    5   0.069345  -0.105287  -0.240106
-    1SOL     H6    6   0.010554  -0.090506  -0.101383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.023366  -0.183279   0.010614
-    0SOL     H2    2  -0.017863  -0.132095  -0.070084
-    0SOL     H3    3  -0.077764  -0.258601  -0.012403
-    1SOL     O4    4   0.022743   0.178749  -0.006631
-    1SOL     H5    5  -0.006603   0.240676   0.060198
-    1SOL     H6    6   0.101018   0.219159  -0.044078
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.114185   0.050855   0.137748
-    0SOL     H2    2  -0.039493   0.032934   0.194864
-    0SOL     H3    3  -0.133230   0.143641   0.151547
-    1SOL     O4    4   0.116629  -0.058402  -0.143265
-    1SOL     H5    5   0.090790   0.031386  -0.164068
-    1SOL     H6    6   0.044548  -0.092454  -0.090283
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068755   0.067510  -0.162965
-    0SOL     H2    2   0.117804   0.145480  -0.188987
-    0SOL     H3    3   0.027117   0.091837  -0.080280
-    1SOL     O4    4  -0.069101  -0.069086   0.163494
-    1SOL     H5    5  -0.060552  -0.062403   0.068391
-    1SOL     H6    6  -0.076628  -0.163006   0.180371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039466   0.185341  -0.032194
-    0SOL     H2    2   0.005713   0.208675  -0.113291
-    0SOL     H3    3   0.030622   0.160124   0.027923
-    1SOL     O4    4   0.037541  -0.184240   0.028174
-    1SOL     H5    5   0.063015  -0.235766   0.104715
-    1SOL     H6    6  -0.050667  -0.153105   0.048479
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104463  -0.153908   0.007239
-    0SOL     H2    2   0.088607  -0.246385  -0.011705
-    0SOL     H3    3   0.197145  -0.149786   0.030806
-    1SOL     O4    4  -0.105690   0.157947  -0.002133
-    1SOL     H5    5  -0.187615   0.116337  -0.028949
-    1SOL     H6    6  -0.077007   0.206519  -0.079467
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.007926   0.180712   0.067321
-    0SOL     H2    2   0.022297   0.214067   0.151798
-    0SOL     H3    3  -0.020970   0.086996   0.081799
-    1SOL     O4    4   0.006054  -0.179421  -0.065175
-    1SOL     H5    5   0.059006  -0.108936  -0.102462
-    1SOL     H6    6  -0.032976  -0.222823  -0.141039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.106895  -0.076915   0.146091
-    0SOL     H2    2  -0.030933  -0.088103   0.203247
-    0SOL     H3    3  -0.075307  -0.101422   0.059120
-    1SOL     O4    4   0.099987   0.084320  -0.141135
-    1SOL     H5    5   0.179703   0.031375  -0.139015
-    1SOL     H6    6   0.041723   0.037586  -0.200998
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002473   0.034100   0.187742
-    0SOL     H2    2   0.091936   0.018681   0.191154
-    0SOL     H3    3  -0.040434  -0.038348   0.237467
-    1SOL     O4    4  -0.002076  -0.031012  -0.196611
-    1SOL     H5    5  -0.061380  -0.022468  -0.121962
-    1SOL     H6    6   0.082046   0.001205  -0.164241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.165194  -0.111946  -0.037204
-    0SOL     H2    2  -0.166519  -0.031914   0.015289
-    0SOL     H3    3  -0.073229  -0.138475  -0.038196
-    1SOL     O4    4   0.159194   0.113997   0.038435
-    1SOL     H5    5   0.198605   0.029051   0.058268
-    1SOL     H6    6   0.140164   0.110324  -0.055303
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.090450   0.108623   0.141594
-    0SOL     H2    2  -0.003316   0.143134   0.161060
-    0SOL     H3    3  -0.106899   0.134703   0.050977
-    1SOL     O4    4   0.089201  -0.114809  -0.144424
-    1SOL     H5    5   0.144095  -0.086331  -0.071363
-    1SOL     H6    6   0.000209  -0.091277  -0.118175
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.144425   0.033380  -0.125551
-    0SOL     H2    2  -0.122908   0.096332  -0.194373
-    0SOL     H3    3  -0.156470  -0.049555  -0.171801
-    1SOL     O4    4   0.144015  -0.034966   0.126595
-    1SOL     H5    5   0.134072   0.058633   0.143994
-    1SOL     H6    6   0.150120  -0.074984   0.213334
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.150447   0.132388  -0.043112
-    0SOL     H2    2  -0.184563   0.177170   0.034302
-    0SOL     H3    3  -0.055628   0.130843  -0.030105
-    1SOL     O4    4   0.151281  -0.130977   0.037622
-    1SOL     H5    5   0.147018  -0.205934   0.096998
-    1SOL     H6    6   0.072174  -0.138143  -0.015792
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.156816   0.053342   0.119440
-    0SOL     H2    2   0.161974   0.112535   0.194486
-    0SOL     H3    3   0.097174   0.096917   0.058559
-    1SOL     O4    4  -0.152701  -0.058080  -0.126806
-    1SOL     H5    5  -0.103649  -0.023432  -0.052269
-    1SOL     H6    6  -0.221300  -0.111983  -0.087424
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.125876  -0.160640  -0.047868
-    0SOL     H2    2   0.069082  -0.083622  -0.050078
-    0SOL     H3    3   0.077096  -0.227806  -0.095529
-    1SOL     O4    4  -0.120231   0.163208   0.044711
-    1SOL     H5    5  -0.172702   0.093698   0.084429
-    1SOL     H6    6  -0.056701   0.186904   0.112274
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.006607  -0.070606   0.194522
-    0SOL     H2    2  -0.022001  -0.075800   0.288853
-    0SOL     H3    3  -0.088977  -0.037700   0.158540
-    1SOL     O4    4   0.017054   0.067402  -0.194844
-    1SOL     H5    5  -0.008063   0.036056  -0.281729
-    1SOL     H6    6  -0.051365   0.130037  -0.171224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067399  -0.182384  -0.063993
-    0SOL     H2    2   0.101951  -0.223776  -0.143083
-    0SOL     H3    3   0.107230  -0.231256   0.008030
-    1SOL     O4    4  -0.068056   0.191177   0.060438
-    1SOL     H5    5  -0.048984   0.100554   0.084646
-    1SOL     H6    6  -0.146976   0.213142   0.109951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070161  -0.180325  -0.089483
-    0SOL     H2    2  -0.015117  -0.181866  -0.046037
-    0SOL     H3    3   0.130642  -0.216915  -0.024941
-    1SOL     O4    4  -0.066753   0.182461   0.078056
-    1SOL     H5    5  -0.122609   0.242582   0.127330
-    1SOL     H6    6  -0.047245   0.111866   0.139684
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101030  -0.085135  -0.172977
-    0SOL     H2    2   0.058627  -0.004973  -0.142346
-    0SOL     H3    3   0.182256  -0.090084  -0.122578
-    1SOL     O4    4  -0.099143   0.084793   0.163383
-    1SOL     H5    5  -0.152578   0.122165   0.233457
-    1SOL     H6    6  -0.108993  -0.009871   0.173575
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126612   0.082337  -0.160406
-    0SOL     H2    2   0.199197   0.124073  -0.114018
-    0SOL     H3    3   0.089095   0.021635  -0.096608
-    1SOL     O4    4  -0.132935  -0.083702   0.150862
-    1SOL     H5    5  -0.057628  -0.123781   0.194277
-    1SOL     H6    6  -0.121499   0.010292   0.164886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043209  -0.177962   0.118258
-    0SOL     H2    2  -0.057662  -0.136072   0.203103
-    0SOL     H3    3   0.051798  -0.188008   0.112327
-    1SOL     O4    4   0.034202   0.176643  -0.127928
-    1SOL     H5    5   0.031203   0.204074  -0.036272
-    1SOL     H6    6   0.121045   0.137808  -0.138527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146793   0.062541   0.156357
-    0SOL     H2    2  -0.076034   0.099105   0.209446
-    0SOL     H3    3  -0.117209   0.073651   0.066004
-    1SOL     O4    4   0.140358  -0.066753  -0.148384
-    1SOL     H5    5   0.171950  -0.123755  -0.218491
-    1SOL     H6    6   0.129977   0.018864  -0.189909
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.186261  -0.107379  -0.055823
-    0SOL     H2    2  -0.155105  -0.195086  -0.033483
-    0SOL     H3    3  -0.154323  -0.092512  -0.144824
-    1SOL     O4    4   0.183526   0.108690   0.053439
-    1SOL     H5    5   0.169400   0.203180   0.059292
-    1SOL     H6    6   0.181911   0.078511   0.144263
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.078564   0.174910   0.121816
-    0SOL     H2    2  -0.038324   0.088062   0.121103
-    0SOL     H3    3  -0.022089   0.227060   0.178854
-    1SOL     O4    4   0.065580  -0.171700  -0.125169
-    1SOL     H5    5   0.108395  -0.256738  -0.135047
-    1SOL     H6    6   0.137716  -0.109087  -0.118978
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076244  -0.134400  -0.180719
-    0SOL     H2    2  -0.000835  -0.101833  -0.229864
-    0SOL     H3    3  -0.147378  -0.074519  -0.203445
-    1SOL     O4    4   0.079537   0.126874   0.190519
-    1SOL     H5    5   0.107094   0.130423   0.098920
-    1SOL     H6    6  -0.006920   0.167948   0.191179
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028621   0.221244  -0.092907
-    0SOL     H2    2   0.041950   0.251777  -0.149915
-    0SOL     H3    3  -0.108867   0.242505  -0.140561
-    1SOL     O4    4   0.028957  -0.229659   0.095486
-    1SOL     H5    5  -0.034721  -0.205142   0.162615
-    1SOL     H6    6   0.094427  -0.159872   0.097882
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.226474  -0.102911   0.021427
-    0SOL     H2    2  -0.183976  -0.185440   0.044775
-    0SOL     H3    3  -0.199431  -0.041770   0.089931
-    1SOL     O4    4   0.216984   0.107188  -0.024405
-    1SOL     H5    5   0.296142   0.145382  -0.062319
-    1SOL     H6    6   0.238455   0.014717  -0.012144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.127222  -0.098960  -0.189453
-    0SOL     H2    2   0.057714  -0.097742  -0.123655
-    0SOL     H3    3   0.103561  -0.170872  -0.248029
-    1SOL     O4    4  -0.126416   0.097632   0.188924
-    1SOL     H5    5  -0.112356   0.161760   0.258582
-    1SOL     H6    6  -0.066947   0.124739   0.118988
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.235017   0.074595  -0.068081
-    0SOL     H2    2   0.186248   0.064036  -0.149766
-    0SOL     H3    3   0.176666   0.125358  -0.011684
-    1SOL     O4    4  -0.224672  -0.079823   0.065570
-    1SOL     H5    5  -0.212853  -0.023578   0.142114
-    1SOL     H6    6  -0.319519  -0.084241   0.053450
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.135204   0.206367   0.008656
-    0SOL     H2    2  -0.212559   0.258986  -0.011588
-    0SOL     H3    3  -0.091188   0.254399   0.078783
-    1SOL     O4    4   0.137477  -0.216126  -0.015969
-    1SOL     H5    5   0.086344  -0.135353  -0.011138
-    1SOL     H6    6   0.185277  -0.219263   0.066903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.206200   0.061816  -0.127713
-    0SOL     H2    2   0.268004   0.037524  -0.058775
-    0SOL     H3    3   0.216895   0.156454  -0.137276
-    1SOL     O4    4  -0.211185  -0.063462   0.117473
-    1SOL     H5    5  -0.133477  -0.066305   0.173292
-    1SOL     H6    6  -0.280047  -0.104066   0.170119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.254296   0.033449  -0.036709
-    0SOL     H2    2   0.219282  -0.027601   0.028170
-    0SOL     H3    3   0.214995   0.117728  -0.014021
-    1SOL     O4    4  -0.252258  -0.031388   0.026723
-    1SOL     H5    5  -0.258419  -0.016061   0.121006
-    1SOL     H6    6  -0.201139  -0.111925   0.018791
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.088906   0.118914  -0.228080
-    0SOL     H2    2  -0.058131   0.175785  -0.298656
-    0SOL     H3    3  -0.080157   0.172019  -0.148924
-    1SOL     O4    4   0.086033  -0.119716   0.224155
-    1SOL     H5    5   0.020830  -0.157409   0.283232
-    1SOL     H6    6   0.159523  -0.180967   0.227302
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126077   0.241924   0.061733
-    0SOL     H2    2   0.031173   0.229795   0.058839
-    0SOL     H3    3   0.157665   0.170848   0.117525
-    1SOL     O4    4  -0.127962  -0.234319  -0.061114
-    1SOL     H5    5  -0.123591  -0.264797  -0.151747
-    1SOL     H6    6  -0.043543  -0.259053  -0.023380
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.034641   0.272034  -0.046538
-    0SOL     H2    2  -0.019027   0.235716   0.040637
-    0SOL     H3    3   0.051909   0.299239  -0.077056
-    1SOL     O4    4   0.034486  -0.275422   0.040685
-    1SOL     H5    5  -0.055307  -0.264925   0.009232
-    1SOL     H6    6   0.041579  -0.214183   0.113910
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.205523  -0.010507  -0.183402
-    0SOL     H2    2   0.273704   0.002967  -0.249221
-    0SOL     H3    3   0.253274  -0.020091  -0.100999
-    1SOL     O4    4  -0.216311   0.008381   0.178864
-    1SOL     H5    5  -0.207612   0.091869   0.224867
-    1SOL     H6    6  -0.137157  -0.040177   0.202086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.124447  -0.190959   0.184293
-    0SOL     H2    2  -0.059010  -0.127643   0.154775
-    0SOL     H3    3  -0.099903  -0.272760   0.141066
-    1SOL     O4    4   0.115784   0.188392  -0.183781
-    1SOL     H5    5   0.091145   0.254594  -0.119186
-    1SOL     H6    6   0.211477   0.190404  -0.184904
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.271722  -0.146723  -0.019567
-    0SOL     H2    2  -0.176786  -0.146053  -0.007361
-    0SOL     H3    3  -0.284772  -0.112833  -0.108130
-    1SOL     O4    4   0.268742   0.142581   0.018812
-    1SOL     H5    5   0.252184   0.095719   0.100617
-    1SOL     H6    6   0.242754   0.232855   0.037184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.150885  -0.255256  -0.064777
-    0SOL     H2    2  -0.150887  -0.323912   0.001922
-    0SOL     H3    3  -0.241488  -0.251578  -0.095434
-    1SOL     O4    4   0.150845   0.258144   0.061341
-    1SOL     H5    5   0.189268   0.253918   0.148909
-    1SOL     H6    6   0.224210   0.280285   0.003986
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.142722  -0.274369  -0.013708
-    0SOL     H2    2   0.202126  -0.348709  -0.003365
-    0SOL     H3    3   0.162697  -0.217194   0.060416
-    1SOL     O4    4  -0.146231   0.274470   0.002796
-    1SOL     H5    5  -0.134166   0.208791   0.071374
-    1SOL     H6    6  -0.165163   0.355451   0.050187
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.028158   0.198784   0.245014
-    0SOL     H2    2   0.039055   0.150933   0.327196
-    0SOL     H3    3   0.116374   0.203611   0.208176
-    1SOL     O4    4  -0.030206  -0.200969  -0.250246
-    1SOL     H5    5  -0.108691  -0.151096  -0.272942
-    1SOL     H6    6  -0.005755  -0.169025  -0.163390
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.249207  -0.101480  -0.214142
-    0SOL     H2    2  -0.251430  -0.167021  -0.283869
-    0SOL     H3    3  -0.218566  -0.149384  -0.137145
-    1SOL     O4    4   0.245343   0.106038   0.218829
-    1SOL     H5    5   0.302223   0.057185   0.159328
-    1SOL     H6    6   0.231536   0.190114   0.175207
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.325479   0.132973  -0.041012
-    0SOL     H2    2  -0.341307   0.145965   0.052492
-    0SOL     H3    3  -0.412702   0.133609  -0.080433
-    1SOL     O4    4   0.327758  -0.137970   0.037164
-    1SOL     H5    5   0.368890  -0.112023   0.119609
-    1SOL     H6    6   0.355105  -0.070926  -0.025442
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.222508   0.116594  -0.269191
-    0SOL     H2    2  -0.229490   0.071604  -0.184992
-    0SOL     H3    3  -0.129069   0.114479  -0.289855
-    1SOL     O4    4   0.216392  -0.116460   0.259121
-    1SOL     H5    5   0.298367  -0.094744   0.303515
-    1SOL     H6    6   0.148031  -0.090196   0.320759
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.067485   0.304766   0.229563
-    0SOL     H2    2  -0.117351   0.350448   0.297304
-    0SOL     H3    3  -0.068374   0.213026   0.256865
-    1SOL     O4    4   0.071989  -0.297521  -0.239356
-    1SOL     H5    5   0.092854  -0.301613  -0.146028
-    1SOL     H6    6   0.023801  -0.378379  -0.256742
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.093180   0.178223  -0.341858
-    0SOL     H2    2  -0.060140   0.247642  -0.284835
-    0SOL     H3    3  -0.065358   0.097049  -0.299444
-    1SOL     O4    4   0.089445  -0.171477   0.337485
-    1SOL     H5    5   0.163210  -0.232348   0.333509
-    1SOL     H6    6   0.015099  -0.221650   0.304054
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.250250   0.099613   0.279602
-    0SOL     H2    2  -0.316847   0.039252   0.246681
-    0SOL     H3    3  -0.240605   0.076624   0.372018
-    1SOL     O4    4   0.253815  -0.101207  -0.284408
-    1SOL     H5    5   0.325947  -0.046724  -0.252928
-    1SOL     H6    6   0.180140  -0.040737  -0.293221
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.046481   0.412611  -0.050205
-    0SOL     H2    2  -0.048676   0.408585  -0.040658
-    0SOL     H3    3   0.063864   0.371513  -0.134887
-    1SOL     O4    4  -0.044242  -0.408577   0.047585
-    1SOL     H5    5  -0.095959  -0.459387   0.110083
-    1SOL     H6    6   0.036732  -0.388212   0.094392
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.298246  -0.181703   0.256160
-    0SOL     H2    2   0.323249  -0.119188   0.188123
-    0SOL     H3    3   0.368770  -0.246423   0.256373
-    1SOL     O4    4  -0.300120   0.185094  -0.256304
-    1SOL     H5    5  -0.276117   0.111272  -0.200299
-    1SOL     H6    6  -0.392744   0.200316  -0.237560
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.231370  -0.299588  -0.208472
-    0SOL     H2    2   0.240851  -0.266378  -0.297744
-    0SOL     H3    3   0.315150  -0.341844  -0.189561
-    1SOL     O4    4  -0.231649   0.302184   0.208438
-    1SOL     H5    5  -0.301546   0.348735   0.254369
-    1SOL     H6    6  -0.242091   0.210848   0.235105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.318055  -0.139093  -0.283327
-    0SOL     H2    2  -0.382659  -0.068543  -0.279969
-    0SOL     H3    3  -0.236408  -0.098257  -0.254541
-    1SOL     O4    4   0.315421   0.138878   0.278638
-    1SOL     H5    5   0.374489   0.071220   0.245537
-    1SOL     H6    6   0.292307   0.109534   0.366768
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.009335  -0.328635   0.313125
-    0SOL     H2    2  -0.028762  -0.339151   0.219989
-    0SOL     H3    3  -0.080650  -0.374236   0.357814
-    1SOL     O4    4   0.015855   0.331610  -0.303938
-    1SOL     H5    5  -0.072138   0.339140  -0.340857
-    1SOL     H6    6   0.073185   0.323027  -0.380108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.317807  -0.337581   0.055838
-    0SOL     H2    2   0.341585  -0.426175   0.083188
-    0SOL     H3    3   0.340240  -0.334341  -0.037160
-    1SOL     O4    4  -0.321043   0.346498  -0.047341
-    1SOL     H5    5  -0.323537   0.250861  -0.044204
-    1SOL     H6    6  -0.305447   0.367087  -0.139511
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.456303   0.038679   0.267409
-    0SOL     H2    2   0.450395   0.041461   0.171912
-    0SOL     H3    3   0.366978   0.020241   0.296453
-    1SOL     O4    4  -0.455972  -0.038960  -0.259117
-    1SOL     H5    5  -0.447242  -0.084453  -0.342882
-    1SOL     H6    6  -0.383954   0.024088  -0.258428
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/610K/87/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2   0.043579  -0.364563   0.460646
-    0SOL     H3    3  -0.091845  -0.314162   0.415493
-    1SOL     O4    4   0.008877   0.295246  -0.454993
-    1SOL     H5    5  -0.044802   0.240233  -0.397945
-    1SOL     H6    6   0.098093   0.262886  -0.442519
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-Generated by ForceBalance from calcs/cluster-02/VLE/610K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.077846  -0.307595  -0.435667
-    0SOL     H2    2   0.005624  -0.274948  -0.402063
-    0SOL     H3    3  -0.058244  -0.336261  -0.524865
-    1SOL     O4    4   0.068842   0.305461   0.445061
-    1SOL     H5    5   0.096846   0.249657   0.372507
-    1SOL     H6    6   0.092203   0.394117   0.417551
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-    6
-    0SOL     O1    1  -0.109691  -0.553931   0.246374
-    0SOL     H2    2  -0.187536  -0.596460   0.282343
-    0SOL     H3    3  -0.049512  -0.625958   0.227588
-    1SOL     O4    4   0.113078   0.556560  -0.242711
-    1SOL     H5    5   0.128865   0.547629  -0.336697
-    1SOL     H6    6   0.047047   0.625524  -0.235914
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.009174   0.124880  -0.000756
-    0SOL     H2    2   0.065374   0.184534  -0.007569
-    0SOL     H3    3  -0.085441   0.182389   0.005436
-    1SOL     O4    4   0.010628  -0.135126  -0.004921
-    1SOL     H5    5  -0.002010  -0.040438   0.001133
-    1SOL     H6    6   0.002077  -0.166288   0.085180
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.119624   0.039488  -0.023996
-    0SOL     H2    2  -0.107793   0.121630   0.023702
-    0SOL     H3    3  -0.152274   0.066131  -0.109941
-    1SOL     O4    4   0.126242  -0.048214   0.023342
-    1SOL     H5    5   0.036594  -0.070114  -0.002072
-    1SOL     H6    6   0.116245   0.012883   0.096345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.025051   0.064104  -0.108891
-    0SOL     H2    2  -0.068898   0.082394  -0.110122
-    0SOL     H3    3   0.063546   0.132556  -0.163615
-    1SOL     O4    4  -0.020202  -0.068524   0.117847
-    1SOL     H5    5   0.025327  -0.036367   0.040031
-    1SOL     H6    6  -0.099710  -0.109594   0.083876
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.044019   0.109734  -0.050126
-    0SOL     H2    2  -0.009417   0.184308  -0.077430
-    0SOL     H3    3   0.120500   0.149106  -0.008138
-    1SOL     O4    4  -0.050582  -0.119385   0.052399
-    1SOL     H5    5  -0.038132  -0.024501   0.054462
-    1SOL     H6    6   0.025766  -0.152587   0.005166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.071940  -0.082584  -0.073812
-    0SOL     H2    2   0.115072  -0.152579  -0.024795
-    0SOL     H3    3   0.130443  -0.065385  -0.147595
-    1SOL     O4    4  -0.076444   0.091248   0.078011
-    1SOL     H5    5  -0.011084   0.032735   0.039715
-    1SOL     H6    6  -0.158937   0.043283   0.070492
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066938   0.109775   0.024416
-    0SOL     H2    2   0.094087   0.175422  -0.039738
-    0SOL     H3    3   0.099131   0.143259   0.108110
-    1SOL     O4    4  -0.076559  -0.116845  -0.028118
-    1SOL     H5    5  -0.028367  -0.035384  -0.013834
-    1SOL     H6    6  -0.017556  -0.185431   0.003138
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017146  -0.058731  -0.120651
-    0SOL     H2    2  -0.072071  -0.102607  -0.055686
-    0SOL     H3    3  -0.005564  -0.123630  -0.190050
-    1SOL     O4    4   0.024358   0.067529   0.125475
-    1SOL     H5    5  -0.070334   0.057110   0.134808
-    1SOL     H6    6   0.043172   0.037403   0.036589
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040521   0.112600   0.062325
-    0SOL     H2    2  -0.003949   0.176894   0.001570
-    0SOL     H3    3  -0.124984   0.149422   0.088257
-    1SOL     O4    4   0.048858  -0.115892  -0.062648
-    1SOL     H5    5   0.012385  -0.203802  -0.072836
-    1SOL     H6    6  -0.018002  -0.067658  -0.014012
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.090859   0.092043  -0.061670
-    0SOL     H2    2   0.142563   0.062241  -0.136508
-    0SOL     H3    3   0.037720   0.016191  -0.037482
-    1SOL     O4    4  -0.086732  -0.085914   0.059902
-    1SOL     H5    5  -0.096824  -0.156718   0.123520
-    1SOL     H6    6  -0.153201  -0.021673   0.084747
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.124070   0.029061   0.048048
-    0SOL     H2    2   0.194047   0.061559  -0.008604
-    0SOL     H3    3   0.111922   0.098120   0.113207
-    1SOL     O4    4  -0.132242  -0.040231  -0.048221
-    1SOL     H5    5  -0.133612   0.033975  -0.108668
-    1SOL     H6    6  -0.050907  -0.029513   0.001095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064379   0.055248  -0.109707
-    0SOL     H2    2  -0.085521  -0.002097  -0.183375
-    0SOL     H3    3   0.008088   0.109205  -0.141324
-    1SOL     O4    4   0.062460  -0.059406   0.114623
-    1SOL     H5    5   0.012403  -0.034822   0.192419
-    1SOL     H6    6   0.080171   0.023552   0.070276
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085591  -0.116096  -0.002983
-    0SOL     H2    2   0.126592  -0.074782  -0.078972
-    0SOL     H3    3   0.000657  -0.146416  -0.035064
-    1SOL     O4    4  -0.084696   0.119046   0.003889
-    1SOL     H5    5  -0.022971   0.046120   0.009737
-    1SOL     H6    6  -0.118704   0.128894   0.092820
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.132378   0.061011   0.004875
-    0SOL     H2    2  -0.041557   0.033802   0.018051
-    0SOL     H3    3  -0.161191   0.091009   0.091085
-    1SOL     O4    4   0.123081  -0.057351  -0.008876
-    1SOL     H5    5   0.198650  -0.028704  -0.060168
-    1SOL     H6    6   0.146248  -0.145318   0.020913
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.120502   0.062747  -0.056669
-    0SOL     H2    2   0.159868   0.121972   0.007402
-    0SOL     H3    3   0.040622   0.031273  -0.014350
-    1SOL     O4    4  -0.118145  -0.059700   0.044451
-    1SOL     H5    5  -0.049979  -0.125913   0.055923
-    1SOL     H6    6  -0.173246  -0.068253   0.122252
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.135482  -0.016033   0.045136
-    0SOL     H2    2   0.165530  -0.087204  -0.011380
-    0SOL     H3    3   0.143344   0.062532  -0.008977
-    1SOL     O4    4  -0.138364   0.016644  -0.046426
-    1SOL     H5    5  -0.205142  -0.005843   0.018361
-    1SOL     H6    6  -0.057289   0.023357   0.004014
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104929   0.070830   0.079122
-    0SOL     H2    2  -0.101955   0.163347   0.054748
-    0SOL     H3    3  -0.014490   0.040757   0.070248
-    1SOL     O4    4   0.104826  -0.070484  -0.078074
-    1SOL     H5    5   0.097755  -0.159110  -0.042611
-    1SOL     H6    6   0.015052  -0.046657  -0.101206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.119563   0.034676  -0.088736
-    0SOL     H2    2   0.030547   0.002735  -0.073964
-    0SOL     H3    3   0.137860   0.090540  -0.013193
-    1SOL     O4    4  -0.111977  -0.031732   0.079508
-    1SOL     H5    5  -0.177162  -0.095062   0.049465
-    1SOL     H6    6  -0.110569  -0.042047   0.174660
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074027  -0.016696  -0.126446
-    0SOL     H2    2   0.160280  -0.048803  -0.152752
-    0SOL     H3    3   0.082362   0.000377  -0.032631
-    1SOL     O4    4  -0.075907   0.012263   0.121870
-    1SOL     H5    5  -0.068561   0.065060   0.201374
-    1SOL     H6    6  -0.139912   0.058780   0.068001
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.002150  -0.140894  -0.020669
-    0SOL     H2    2   0.052118  -0.146147  -0.099344
-    0SOL     H3    3   0.022756  -0.217637   0.030833
-    1SOL     O4    4   0.001715   0.148503   0.018740
-    1SOL     H5    5  -0.026838   0.173705   0.106557
-    1SOL     H6    6  -0.054517   0.074608  -0.004495
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.022811  -0.138498  -0.027753
-    0SOL     H2    2  -0.023493  -0.234181  -0.030330
-    0SOL     H3    3  -0.039357  -0.111936  -0.118213
-    1SOL     O4    4   0.022506   0.145080   0.026599
-    1SOL     H5    5  -0.019260   0.066829   0.062582
-    1SOL     H6    6   0.083174   0.173494   0.094969
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031235   0.114850   0.081880
-    0SOL     H2    2   0.099647   0.090441   0.144221
-    0SOL     H3    3   0.070309   0.184834   0.029556
-    1SOL     O4    4  -0.041948  -0.118036  -0.086926
-    1SOL     H5    5  -0.034786  -0.049230  -0.020769
-    1SOL     H6    6   0.033426  -0.174786  -0.070787
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.000910  -0.083037   0.128582
-    0SOL     H2    2   0.012709  -0.031392   0.049149
-    0SOL     H3    3  -0.092062  -0.111756   0.123201
-    1SOL     O4    4   0.003005   0.076866  -0.119989
-    1SOL     H5    5   0.001554   0.170319  -0.099330
-    1SOL     H6    6   0.044826   0.071937  -0.205948
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.109761  -0.014259   0.089955
-    0SOL     H2    2   0.157818  -0.088972   0.054308
-    0SOL     H3    3   0.148315   0.000046   0.176392
-    1SOL     O4    4  -0.113418   0.022377  -0.098707
-    1SOL     H5    5  -0.054688  -0.012608  -0.031705
-    1SOL     H6    6  -0.199820  -0.011140  -0.074758
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039965  -0.148610   0.006678
-    0SOL     H2    2   0.017727  -0.172172   0.079334
-    0SOL     H3    3  -0.042349  -0.052929   0.007983
-    1SOL     O4    4   0.035567   0.137027  -0.009352
-    1SOL     H5    5  -0.024349   0.207797  -0.033097
-    1SOL     H6    6   0.121543   0.178864  -0.004863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103028  -0.005976   0.114469
-    0SOL     H2    2  -0.053679  -0.087362   0.104311
-    0SOL     H3    3  -0.037401   0.058856   0.140006
-    1SOL     O4    4   0.102243   0.004657  -0.114023
-    1SOL     H5    5   0.080944   0.076035  -0.174138
-    1SOL     H6    6   0.017330  -0.026371  -0.082566
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.116566  -0.063489   0.056990
-    0SOL     H2    2   0.199494  -0.066419   0.009275
-    0SOL     H3    3   0.127505  -0.126704   0.128028
-    1SOL     O4    4  -0.127945   0.065330  -0.060520
-    1SOL     H5    5  -0.058892   0.020514  -0.011677
-    1SOL     H6    6  -0.091496   0.151708  -0.079824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.051943   0.059619   0.119897
-    0SOL     H2    2  -0.118346   0.128468   0.123477
-    0SOL     H3    3  -0.010514   0.061725   0.206161
-    1SOL     O4    4   0.055378  -0.065152  -0.132035
-    1SOL     H5    5   0.102198  -0.089241  -0.052098
-    1SOL     H6    6  -0.025128  -0.023626  -0.101105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089771  -0.036046  -0.123383
-    0SOL     H2    2  -0.043732  -0.008091  -0.044255
-    0SOL     H3    3  -0.020953  -0.070559  -0.180262
-    1SOL     O4    4   0.079579   0.035599   0.116662
-    1SOL     H5    5   0.110410  -0.028719   0.180498
-    1SOL     H6    6   0.115555   0.118876   0.147206
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084856  -0.015124  -0.123557
-    0SOL     H2    2   0.133807  -0.028639  -0.042419
-    0SOL     H3    3   0.137882   0.046959  -0.173519
-    1SOL     O4    4  -0.089377   0.009887   0.127890
-    1SOL     H5    5  -0.085564  -0.038441   0.045354
-    1SOL     H6    6  -0.120100   0.097122   0.103224
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.014575   0.115606  -0.107787
-    0SOL     H2    2  -0.058173   0.073521  -0.153601
-    0SOL     H3    3   0.003370   0.089923  -0.016261
-    1SOL     O4    4  -0.010668  -0.106017   0.102294
-    1SOL     H5    5   0.071359  -0.149656   0.125305
-    1SOL     H6    6  -0.078988  -0.164758   0.134607
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.057503  -0.072437   0.128337
-    0SOL     H2    2   0.019024  -0.089961   0.183098
-    0SOL     H3    3  -0.024689  -0.015472   0.058762
-    1SOL     O4    4   0.046300   0.069324  -0.127133
-    1SOL     H5    5   0.091935   0.151740  -0.110181
-    1SOL     H6    6   0.114760   0.009841  -0.157747
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021253   0.102477   0.113855
-    0SOL     H2    2   0.116071   0.093634   0.123531
-    0SOL     H3    3  -0.015071   0.033358   0.169220
-    1SOL     O4    4  -0.020754  -0.101445  -0.120899
-    1SOL     H5    5   0.002955  -0.028830  -0.063217
-    1SOL     H6    6  -0.116274  -0.097875  -0.125956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.085165  -0.069649  -0.118328
-    0SOL     H2    2  -0.136508  -0.124976  -0.059464
-    0SOL     H3    3  -0.037398  -0.010540  -0.060131
-    1SOL     O4    4   0.082295   0.074465   0.107501
-    1SOL     H5    5   0.152269   0.013433   0.084241
-    1SOL     H6    6   0.058970   0.051118   0.197352
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.035714   0.110375   0.099381
-    0SOL     H2    2   0.006223   0.095199   0.184077
-    0SOL     H3    3  -0.000274   0.194204   0.069732
-    1SOL     O4    4   0.033866  -0.116837  -0.098148
-    1SOL     H5    5  -0.029192  -0.044825  -0.098388
-    1SOL     H6    6   0.043240  -0.140836  -0.190335
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.123834   0.042147   0.096279
-    0SOL     H2    2  -0.046091   0.097974   0.097591
-    0SOL     H3    3  -0.090648  -0.044678   0.073422
-    1SOL     O4    4   0.113605  -0.044388  -0.092907
-    1SOL     H5    5   0.165858   0.019083  -0.043882
-    1SOL     H6    6   0.147498  -0.039443  -0.182289
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.015793  -0.139496  -0.069785
-    0SOL     H2    2  -0.051438  -0.203551  -0.046566
-    0SOL     H3    3  -0.027627  -0.080340  -0.131247
-    1SOL     O4    4  -0.011399   0.142348   0.065989
-    1SOL     H5    5  -0.002442   0.184124   0.151644
-    1SOL     H6    6   0.011768   0.050764   0.081415
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126317  -0.103124  -0.006884
-    0SOL     H2    2   0.084229  -0.018186  -0.020166
-    0SOL     H3    3   0.201558  -0.084124   0.049153
-    1SOL     O4    4  -0.123614   0.092449   0.003690
-    1SOL     H5    5  -0.202210   0.118339  -0.044422
-    1SOL     H6    6  -0.113984   0.159194   0.071622
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.059590   0.145421   0.024682
-    0SOL     H2    2  -0.116134   0.220681   0.042035
-    0SOL     H3    3   0.016391   0.158926   0.081310
-    1SOL     O4    4   0.063096  -0.154079  -0.028526
-    1SOL     H5    5  -0.029831  -0.173338  -0.016038
-    1SOL     H6    6   0.066135  -0.059724  -0.044344
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.111315  -0.103044  -0.074040
-    0SOL     H2    2   0.061670  -0.042480  -0.018999
-    0SOL     H3    3   0.064340  -0.103687  -0.157438
-    1SOL     O4    4  -0.105017   0.101411   0.069751
-    1SOL     H5    5  -0.164999   0.035548   0.104773
-    1SOL     H6    6  -0.056529   0.132732   0.146107
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021869   0.060970   0.160772
-    0SOL     H2    2  -0.041590   0.017945   0.103464
-    0SOL     H3    3  -0.031374   0.102654   0.228521
-    1SOL     O4    4  -0.009995  -0.064812  -0.161792
-    1SOL     H5    5  -0.083912  -0.060754  -0.101111
-    1SOL     H6    6  -0.026121   0.006098  -0.224033
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.063416   0.106335  -0.113592
-    0SOL     H2    2   0.138050   0.166248  -0.115218
-    0SOL     H3    3  -0.007258   0.154878  -0.156148
-    1SOL     O4    4  -0.064117  -0.106752   0.119191
-    1SOL     H5    5   0.011196  -0.132466   0.066002
-    1SOL     H6    6  -0.123088  -0.182048   0.115281
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.149044   0.060886   0.049874
-    0SOL     H2    2  -0.215983   0.117931   0.012094
-    0SOL     H3    3  -0.128496   0.100738   0.134443
-    1SOL     O4    4   0.156654  -0.070254  -0.055931
-    1SOL     H5    5   0.170402  -0.029213   0.029445
-    1SOL     H6    6   0.065699  -0.050073  -0.077891
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.012893   0.034881   0.173930
-    0SOL     H2    2   0.066533  -0.014297   0.111748
-    0SOL     H3    3  -0.055932  -0.026351   0.199929
-    1SOL     O4    4  -0.016595  -0.023265  -0.173177
-    1SOL     H5    5  -0.034094  -0.112694  -0.143879
-    1SOL     H6    6   0.078715  -0.018718  -0.180779
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.081395   0.114615   0.114491
-    0SOL     H2    2  -0.006349   0.171433   0.131870
-    0SOL     H3    3  -0.056400   0.065016   0.036533
-    1SOL     O4    4   0.074405  -0.108742  -0.109026
-    1SOL     H5    5   0.067061  -0.150708  -0.194742
-    1SOL     H6    6   0.096325  -0.180134  -0.049151
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035914  -0.026907   0.167027
-    0SOL     H2    2   0.049140  -0.041289   0.260731
-    0SOL     H3    3  -0.058575  -0.035695   0.154499
-    1SOL     O4    4  -0.036402   0.023211  -0.173800
-    1SOL     H5    5   0.007765   0.033870  -0.089550
-    1SOL     H6    6  -0.003958   0.095692  -0.227244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066300  -0.137569  -0.078575
-    0SOL     H2    2   0.139656  -0.194568  -0.101649
-    0SOL     H3    3  -0.009384  -0.177190  -0.121754
-    1SOL     O4    4  -0.065968   0.146256   0.086560
-    1SOL     H5    5   0.013399   0.110479   0.046770
-    1SOL     H6    6  -0.137549   0.108627   0.035349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.152310   0.097052  -0.035771
-    0SOL     H2    2   0.076249   0.133560  -0.080987
-    0SOL     H3    3   0.117846   0.021721   0.012184
-    1SOL     O4    4  -0.141300  -0.097685   0.039576
-    1SOL     H5    5  -0.163305  -0.120810  -0.050664
-    1SOL     H6    6  -0.199443  -0.024576   0.060475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.109816  -0.048119  -0.134444
-    0SOL     H2    2  -0.122714   0.045788  -0.121120
-    0SOL     H3    3  -0.179150  -0.089408  -0.082962
-    1SOL     O4    4   0.121645   0.045856   0.130009
-    1SOL     H5    5   0.060085   0.098833   0.180666
-    1SOL     H6    6   0.067507  -0.022247   0.090091
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116237   0.032280   0.143195
-    0SOL     H2    2  -0.131389   0.005278   0.052621
-    0SOL     H3    3  -0.052543  -0.030822   0.176714
-    1SOL     O4    4   0.109236  -0.024327  -0.134462
-    1SOL     H5    5   0.141752  -0.112888  -0.150646
-    1SOL     H6    6   0.140215   0.026665  -0.209311
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016093   0.104902   0.153404
-    0SOL     H2    2  -0.043216   0.179642   0.145747
-    0SOL     H3    3   0.015354   0.064682   0.066548
-    1SOL     O4    4  -0.007382  -0.110806  -0.145172
-    1SOL     H5    5  -0.002543  -0.025957  -0.189213
-    1SOL     H6    6  -0.100558  -0.132728  -0.145485
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.101570   0.153148   0.012594
-    0SOL     H2    2   0.187659   0.192658  -0.001190
-    0SOL     H3    3   0.044951   0.226620   0.036227
-    1SOL     O4    4  -0.102872  -0.163475  -0.007709
-    1SOL     H5    5  -0.102547  -0.070034  -0.028469
-    1SOL     H6    6  -0.117619  -0.206697  -0.091833
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106018   0.019152   0.165801
-    0SOL     H2    2   0.138950  -0.070529   0.159868
-    0SOL     H3    3   0.059154   0.033003   0.083496
-    1SOL     O4    4  -0.107412  -0.008916  -0.156758
-    1SOL     H5    5  -0.130080  -0.100913  -0.143155
-    1SOL     H6    6  -0.045976  -0.009937  -0.230154
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.164071   0.093259   0.049974
-    0SOL     H2    2   0.223692   0.018686   0.043158
-    0SOL     H3    3   0.122664   0.098831  -0.036147
-    1SOL     O4    4  -0.169914  -0.084839  -0.048268
-    1SOL     H5    5  -0.116372  -0.066627   0.028959
-    1SOL     H6    6  -0.148812  -0.175317  -0.071307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.181167  -0.035647  -0.035998
-    0SOL     H2    2   0.216868   0.025450   0.028461
-    0SOL     H3    3   0.246055  -0.105837  -0.041044
-    1SOL     O4    4  -0.193449   0.036446   0.035504
-    1SOL     H5    5  -0.145064  -0.039259   0.002489
-    1SOL     H6    6  -0.132974   0.109926   0.025219
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033141   0.099156  -0.166061
-    0SOL     H2    2   0.098505   0.068947  -0.102996
-    0SOL     H3    3   0.003446   0.183295  -0.131405
-    1SOL     O4    4  -0.035658  -0.099470   0.167474
-    1SOL     H5    5  -0.053509  -0.048101   0.088704
-    1SOL     H6    6  -0.007311  -0.184775   0.134582
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.083700   0.141761   0.111167
-    0SOL     H2    2   0.013792   0.080146   0.089281
-    0SOL     H3    3   0.047248   0.195392   0.181574
-    1SOL     O4    4  -0.075737  -0.136973  -0.110383
-    1SOL     H5    5  -0.147595  -0.195553  -0.086566
-    1SOL     H6    6  -0.050466  -0.164577  -0.198483
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.107837  -0.010314  -0.172708
-    0SOL     H2    2   0.070408  -0.077707  -0.229450
-    0SOL     H3    3   0.038995   0.055780  -0.165312
-    1SOL     O4    4  -0.096905   0.014165   0.178133
-    1SOL     H5    5  -0.189280   0.019185   0.202710
-    1SOL     H6    6  -0.093974  -0.052221   0.109238
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.200120  -0.021178  -0.016276
-    0SOL     H2    2   0.240284  -0.017257   0.070522
-    0SOL     H3    3   0.262713  -0.070300  -0.069487
-    1SOL     O4    4  -0.207778   0.017624   0.015802
-    1SOL     H5    5  -0.219666   0.056524  -0.070846
-    1SOL     H6    6  -0.172262   0.088604   0.069307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.167156   0.124534   0.052677
-    0SOL     H2    2   0.079308   0.143195   0.019558
-    0SOL     H3    3   0.223450   0.129306  -0.024593
-    1SOL     O4    4  -0.162027  -0.121177  -0.050102
-    1SOL     H5    5  -0.218143  -0.102240   0.025096
-    1SOL     H6    6  -0.163423  -0.216587  -0.057665
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.046581   0.142269  -0.148438
-    0SOL     H2    2  -0.070756   0.228595  -0.181991
-    0SOL     H3    3  -0.007527   0.097439  -0.223454
-    1SOL     O4    4   0.048215  -0.149903   0.154855
-    1SOL     H5    5  -0.001145  -0.114685   0.080791
-    1SOL     H6    6   0.050049  -0.078515   0.218594
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110159   0.085192   0.161990
-    0SOL     H2    2  -0.121331   0.156760   0.224564
-    0SOL     H3    3  -0.171628   0.017908   0.191260
-    1SOL     O4    4   0.108748  -0.087129  -0.164304
-    1SOL     H5    5   0.170485  -0.018219  -0.139765
-    1SOL     H6    6   0.146796  -0.126614  -0.242761
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.176801   0.059824  -0.113196
-    0SOL     H2    2   0.252282   0.029713  -0.163776
-    0SOL     H3    3   0.182781   0.012093  -0.030441
-    1SOL     O4    4  -0.184901  -0.051507   0.114748
-    1SOL     H5    5  -0.213726  -0.121619   0.056303
-    1SOL     H6    6  -0.089375  -0.053132   0.108888
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146615  -0.126501   0.101850
-    0SOL     H2    2  -0.161844  -0.202820   0.046120
-    0SOL     H3    3  -0.226780  -0.074768   0.094130
-    1SOL     O4    4   0.154545   0.130901  -0.093879
-    1SOL     H5    5   0.088139   0.062888  -0.082616
-    1SOL     H6    6   0.161581   0.142109  -0.188680
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.084977  -0.155495  -0.135242
-    0SOL     H2    2   0.017995  -0.121572  -0.194613
-    0SOL     H3    3   0.037252  -0.213348  -0.075763
-    1SOL     O4    4  -0.074144   0.155166   0.131006
-    1SOL     H5    5  -0.070122   0.137661   0.225025
-    1SOL     H6    6  -0.155942   0.203422   0.119057
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.013723   0.121145  -0.196983
-    0SOL     H2    2   0.061217   0.074021  -0.160572
-    0SOL     H3    3  -0.079924   0.117977  -0.127920
-    1SOL     O4    4   0.006790  -0.118385   0.190271
-    1SOL     H5    5   0.066420  -0.043523   0.191808
-    1SOL     H6    6   0.062066  -0.193539   0.211689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.067825   0.212618  -0.036210
-    0SOL     H2    2   0.154908   0.213190  -0.075940
-    0SOL     H3    3   0.008207   0.196314  -0.109300
-    1SOL     O4    4  -0.070272  -0.207834   0.037940
-    1SOL     H5    5  -0.053879  -0.178210   0.127472
-    1SOL     H6    6  -0.077550  -0.303008   0.045106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.185630   0.139472   0.058997
-    0SOL     H2    2  -0.168828   0.190186  -0.020427
-    0SOL     H3    3  -0.273003   0.102632   0.045913
-    1SOL     O4    4   0.186546  -0.136795  -0.059803
-    1SOL     H5    5   0.249540  -0.208830  -0.062058
-    1SOL     H6    6   0.172049  -0.120500   0.033399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010133  -0.198832  -0.137759
-    0SOL     H2    2  -0.032514  -0.200230  -0.230815
-    0SOL     H3    3  -0.090042  -0.169023  -0.094303
-    1SOL     O4    4   0.015269   0.192293   0.143343
-    1SOL     H5    5   0.085033   0.219239   0.083600
-    1SOL     H6    6  -0.046561   0.265360   0.142547
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.054851   0.175860   0.156254
-    0SOL     H2    2  -0.026698   0.214010   0.188758
-    0SOL     H3    3   0.082319   0.115529   0.225305
-    1SOL     O4    4  -0.045115  -0.177276  -0.162746
-    1SOL     H5    5  -0.070962  -0.085783  -0.151635
-    1SOL     H6    6  -0.127782  -0.225486  -0.164808
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.144481  -0.051199  -0.197271
-    0SOL     H2    2   0.068672  -0.058351  -0.255273
-    0SOL     H3    3   0.107032  -0.046414  -0.109310
-    1SOL     O4    4  -0.140934   0.046270   0.191244
-    1SOL     H5    5  -0.182624   0.131374   0.204720
-    1SOL     H6    6  -0.062729   0.048859   0.246376
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.175001   0.120278   0.114811
-    0SOL     H2    2   0.259591   0.103678   0.073203
-    0SOL     H3    3   0.193533   0.186700   0.181196
-    1SOL     O4    4  -0.180048  -0.128688  -0.117374
-    1SOL     H5    5  -0.201727  -0.055982  -0.175737
-    1SOL     H6    6  -0.156638  -0.086814  -0.034544
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.074044  -0.094039   0.215535
-    0SOL     H2    2  -0.001063  -0.049098   0.258155
-    0SOL     H3    3  -0.094068  -0.167567   0.273457
-    1SOL     O4    4   0.073747   0.094552  -0.226303
-    1SOL     H5    5   0.116211   0.131897  -0.149073
-    1SOL     H6    6  -0.017961   0.084531  -0.200778
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.080213   0.021611   0.238695
-    0SOL     H2    2  -0.018313  -0.051082   0.245510
-    0SOL     H3    3  -0.038020   0.093546   0.285678
-    1SOL     O4    4   0.068302  -0.018017  -0.240097
-    1SOL     H5    5   0.081012  -0.099366  -0.288915
-    1SOL     H6    6   0.156571   0.008515  -0.214272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.175240   0.113937  -0.162160
-    0SOL     H2    2   0.125313   0.195595  -0.163455
-    0SOL     H3    3   0.109288   0.045319  -0.172367
-    1SOL     O4    4  -0.167129  -0.119602   0.157483
-    1SOL     H5    5  -0.141608  -0.126585   0.249473
-    1SOL     H6    6  -0.213480  -0.036052   0.151712
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.066353  -0.065389  -0.262126
-    0SOL     H2    2  -0.081584   0.029093  -0.264017
-    0SOL     H3    3   0.017751  -0.077028  -0.306323
-    1SOL     O4    4   0.056424   0.058746   0.268730
-    1SOL     H5    5   0.097097   0.011750   0.195933
-    1SOL     H6    6   0.110286   0.137096   0.279800
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.068361   0.080106   0.266475
-    0SOL     H2    2   0.025233   0.165168   0.258306
-    0SOL     H3    3  -0.002995   0.018525   0.283163
-    1SOL     O4    4  -0.063727  -0.087477  -0.267491
-    1SOL     H5    5  -0.030177  -0.027188  -0.333838
-    1SOL     H6    6  -0.077966  -0.032702  -0.190295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.031121   0.220882  -0.195451
-    0SOL     H2    2   0.003965   0.307093  -0.217790
-    0SOL     H3    3   0.038790   0.178737  -0.145465
-    1SOL     O4    4   0.018932  -0.225684   0.192053
-    1SOL     H5    5   0.103547  -0.263316   0.167836
-    1SOL     H6    6   0.040835  -0.152541   0.249783
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.010405  -0.295373  -0.047035
-    0SOL     H2    2   0.022928  -0.363198   0.011711
-    0SOL     H3    3  -0.018944  -0.339086  -0.131761
-    1SOL     O4    4   0.003909   0.304468   0.053032
-    1SOL     H5    5   0.050004   0.353408  -0.015103
-    1SOL     H6    6   0.038122   0.215358   0.045886
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.180955   0.250362   0.008516
-    0SOL     H2    2  -0.137183   0.182737  -0.043187
-    0SOL     H3    3  -0.216702   0.310875  -0.056466
-    1SOL     O4    4   0.179640  -0.243175  -0.000422
-    1SOL     H5    5   0.237667  -0.281032  -0.066468
-    1SOL     H6    6   0.133095  -0.318233   0.036487
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.129423   0.216096  -0.192249
-    0SOL     H2    2   0.069390   0.246214  -0.124049
-    0SOL     H3    3   0.172667   0.295746  -0.223041
-    1SOL     O4    4  -0.131834  -0.228050   0.192132
-    1SOL     H5    5  -0.067571  -0.175845   0.240165
-    1SOL     H6    6  -0.134454  -0.188616   0.104952
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.306576  -0.105453   0.027850
-    0SOL     H2    2  -0.343386  -0.175974  -0.025386
-    0SOL     H3    3  -0.343204  -0.119653   0.115137
-    1SOL     O4    4   0.311754   0.110405  -0.035763
-    1SOL     H5    5   0.329292   0.043535   0.030442
-    1SOL     H6    6   0.271666   0.182425   0.012903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.094444  -0.194913   0.308593
-    0SOL     H2    2  -0.020463  -0.134814   0.299802
-    0SOL     H3    3  -0.152923  -0.152012   0.371059
-    1SOL     O4    4   0.095630   0.192939  -0.305712
-    1SOL     H5    5   0.147497   0.141070  -0.367208
-    1SOL     H6    6   0.005628   0.184567  -0.337207
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096743  -0.109044  -0.346165
-    0SOL     H2    2  -0.118676  -0.026321  -0.389039
-    0SOL     H3    3  -0.071608  -0.167297  -0.417839
-    1SOL     O4    4   0.099787   0.110113   0.348198
-    1SOL     H5    5   0.052510   0.026924   0.345588
-    1SOL     H6    6   0.085764   0.142908   0.437025
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.367411  -0.078695  -0.026148
-    0SOL     H2    2  -0.435027  -0.049445  -0.087262
-    0SOL     H3    3  -0.415806  -0.121353   0.044566
-    1SOL     O4    4   0.370309   0.082226   0.030062
-    1SOL     H5    5   0.363338  -0.010386   0.006894
-    1SOL     H6    6   0.438261   0.116446  -0.028023
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113129  -0.353200  -0.114993
-    0SOL     H2    2   0.167195  -0.280782  -0.083454
-    0SOL     H3    3   0.096146  -0.332244  -0.206834
-    1SOL     O4    4  -0.121640   0.349956   0.120130
-    1SOL     H5    5  -0.093522   0.296323   0.046001
-    1SOL     H6    6  -0.040666   0.370898   0.166681
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027402   0.357881   0.147679
-    0SOL     H2    2  -0.048427   0.312685   0.110671
-    0SOL     H3    3   0.011395   0.358291   0.242050
-    1SOL     O4    4  -0.028230  -0.350645  -0.150710
-    1SOL     H5    5   0.001236  -0.409460  -0.220243
-    1SOL     H6    6   0.030366  -0.369032  -0.077289
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.200112  -0.115747   0.332232
-    0SOL     H2    2   0.139935  -0.044031   0.352178
-    0SOL     H3    3   0.149979  -0.173965   0.275137
-    1SOL     O4    4  -0.199190   0.110629  -0.329959
-    1SOL     H5    5  -0.134899   0.116280  -0.400648
-    1SOL     H6    6  -0.170202   0.175585  -0.265906
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.338685  -0.130536   0.170093
-    0SOL     H2    2   0.422567  -0.160145   0.134745
-    0SOL     H3    3   0.326769  -0.182005   0.249913
-    1SOL     O4    4  -0.343286   0.130800  -0.166644
-    1SOL     H5    5  -0.280346   0.201694  -0.179866
-    1SOL     H6    6  -0.393842   0.128129  -0.247880
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.014515   0.417956   0.097830
-    0SOL     H2    2  -0.023705   0.397765   0.190944
-    0SOL     H3    3  -0.072476   0.355695   0.053938
-    1SOL     O4    4   0.014007  -0.416903  -0.099394
-    1SOL     H5    5   0.028962  -0.378182  -0.185645
-    1SOL     H6    6   0.083984  -0.381297  -0.044642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/620K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.019150   0.134546   0.410747
-    0SOL     H2    2  -0.004018   0.149116   0.504133
-    0SOL     H3    3   0.063921   0.099988   0.378079
-    1SOL     O4    4   0.010026  -0.135692  -0.411031
-    1SOL     H5    5   0.055537  -0.053825  -0.391314
-    1SOL     H6    6   0.059142  -0.173486  -0.483980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.043168  -0.018593  -0.129399
-    0SOL     H2    2   0.008361  -0.009713  -0.049223
-    0SOL     H3    3   0.018868  -0.051920  -0.194230
-    1SOL     O4    4   0.041247   0.016646   0.126403
-    1SOL     H5    5   0.037142   0.111618   0.137619
-    1SOL     H6    6  -0.046013  -0.014199   0.150829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102571  -0.004283   0.078468
-    0SOL     H2    2   0.174185   0.050354   0.110850
-    0SOL     H3    3   0.100948  -0.079371   0.137810
-    1SOL     O4    4  -0.111896   0.003601  -0.083983
-    1SOL     H5    5  -0.045895   0.010228  -0.014974
-    1SOL     H6    6  -0.069261   0.040048  -0.161548
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.079560  -0.020572   0.111568
-    0SOL     H2    2  -0.001930  -0.049816   0.063812
-    0SOL     H3    3  -0.145919  -0.086831   0.092374
-    1SOL     O4    4   0.081453   0.024621  -0.101354
-    1SOL     H5    5  -0.000539   0.071868  -0.115756
-    1SOL     H6    6   0.114059   0.005762  -0.189351
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.113578  -0.001816   0.063422
-    0SOL     H2    2   0.195044   0.047757   0.071670
-    0SOL     H3    3   0.113366  -0.060402   0.139119
-    1SOL     O4    4  -0.120623  -0.000551  -0.073811
-    1SOL     H5    5  -0.171349   0.037538  -0.002129
-    1SOL     H6    6  -0.029341   0.014666  -0.049348
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.027667  -0.088910  -0.100821
-    0SOL     H2    2   0.076036  -0.169446  -0.119171
-    0SOL     H3    3   0.093302  -0.019525  -0.107150
-    1SOL     O4    4  -0.035287   0.092070   0.107553
-    1SOL     H5    5  -0.012859   0.000770   0.089561
-    1SOL     H6    6  -0.008430   0.139352   0.028779
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028497  -0.127833   0.064283
-    0SOL     H2    2  -0.041672  -0.038011   0.033941
-    0SOL     H3    3   0.063778  -0.145921   0.046377
-    1SOL     O4    4   0.029396   0.122629  -0.058073
-    1SOL     H5    5   0.031986   0.130608  -0.153425
-    1SOL     H6    6  -0.062397   0.137298  -0.035247
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126197   0.056716  -0.047682
-    0SOL     H2    2   0.169877   0.036834   0.035138
-    0SOL     H3    3   0.044201   0.007468  -0.043996
-    1SOL     O4    4  -0.120129  -0.046994   0.039389
-    1SOL     H5    5  -0.109413  -0.076640   0.129769
-    1SOL     H6    6  -0.186766  -0.105155   0.002795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.114005  -0.064463   0.068610
-    0SOL     H2    2  -0.034065  -0.085797   0.020477
-    0SOL     H3    3  -0.133754   0.025779   0.043537
-    1SOL     O4    4   0.113338   0.055810  -0.060793
-    1SOL     H5    5   0.069358   0.052034  -0.145727
-    1SOL     H6    6   0.102620   0.146538  -0.032230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.122481  -0.014724   0.070496
-    0SOL     H2    2   0.213743  -0.041344   0.059317
-    0SOL     H3    3   0.085429  -0.018426  -0.017684
-    1SOL     O4    4  -0.124136   0.012035  -0.070018
-    1SOL     H5    5  -0.173207  -0.006536   0.010041
-    1SOL     H6    6  -0.096592   0.103229  -0.060674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.040944  -0.113340  -0.078630
-    0SOL     H2    2  -0.075775  -0.157391  -0.001115
-    0SOL     H3    3  -0.102751  -0.042257  -0.095641
-    1SOL     O4    4   0.043419   0.115827   0.080322
-    1SOL     H5    5  -0.005749   0.080412   0.006223
-    1SOL     H6    6   0.132768   0.084095   0.067202
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.126133   0.040067  -0.053776
-    0SOL     H2    2   0.118500   0.132464  -0.077584
-    0SOL     H3    3   0.150053   0.041062   0.038901
-    1SOL     O4    4  -0.130933  -0.040177   0.051058
-    1SOL     H5    5  -0.038159  -0.051008   0.071986
-    1SOL     H6    6  -0.154592  -0.120465   0.004621
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076387  -0.086366   0.075289
-    0SOL     H2    2  -0.061714  -0.157809   0.137280
-    0SOL     H3    3  -0.161634  -0.050416   0.099842
-    1SOL     O4    4   0.081009   0.093765  -0.078248
-    1SOL     H5    5   0.027768   0.022255  -0.043405
-    1SOL     H6    6   0.119307   0.058284  -0.158476
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112770   0.066215   0.067900
-    0SOL     H2    2   0.093261   0.158385   0.084822
-    0SOL     H3    3   0.050110   0.040443   0.000284
-    1SOL     O4    4  -0.103850  -0.068034  -0.060019
-    1SOL     H5    5  -0.175341  -0.024739  -0.106677
-    1SOL     H6    6  -0.099585  -0.155558  -0.098536
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.134917  -0.020844  -0.041946
-    0SOL     H2    2   0.137980  -0.115870  -0.053039
-    0SOL     H3    3   0.114430   0.012851  -0.129165
-    1SOL     O4    4  -0.139425   0.026311   0.046549
-    1SOL     H5    5  -0.110264   0.033930   0.137400
-    1SOL     H6    6  -0.062285  -0.004684  -0.000896
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/14/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2  -0.019418   0.062804   0.108630
-    0SOL     H3    3   0.123938   0.068658   0.156939
-    1SOL     O4    4  -0.050061  -0.011061  -0.138341
-    1SOL     H5    5  -0.030027  -0.025006  -0.045785
-    1SOL     H6    6  -0.135915  -0.051548  -0.150677
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.062854  -0.102938   0.084543
-    0SOL     H2    2   0.000888  -0.041808   0.047634
-    0SOL     H3    3  -0.009837  -0.168061   0.130483
-    1SOL     O4    4   0.062207   0.103290  -0.079688
-    1SOL     H5    5   0.057009   0.052566  -0.160696
-    1SOL     H6    6  -0.020504   0.151336  -0.076108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096456  -0.078858  -0.061284
-    0SOL     H2    2  -0.140697  -0.022575  -0.124824
-    0SOL     H3    3  -0.145075  -0.161258  -0.064268
-    1SOL     O4    4   0.100583   0.086348   0.065654
-    1SOL     H5    5   0.183930   0.039280   0.065205
-    1SOL     H6    6   0.034846   0.018911   0.048529
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.104711   0.061716   0.072726
-    0SOL     H2    2  -0.035951   0.042221   0.136399
-    0SOL     H3    3  -0.184117   0.071252   0.125318
-    1SOL     O4    4   0.108415  -0.058526  -0.072849
-    1SOL     H5    5   0.026694  -0.032586  -0.115407
-    1SOL     H6    6   0.142067  -0.129918  -0.127006
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.091952  -0.118021  -0.034261
-    0SOL     H2    2  -0.125370  -0.069086  -0.109434
-    0SOL     H3    3  -0.045077  -0.052855   0.017879
-    1SOL     O4    4   0.085633   0.108180   0.035960
-    1SOL     H5    5   0.164745   0.101150   0.089385
-    1SOL     H6    6   0.105282   0.177544  -0.027006
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.001182   0.099716  -0.116853
-    0SOL     H2    2  -0.027269   0.019863  -0.072396
-    0SOL     H3    3   0.006219   0.165368  -0.047378
-    1SOL     O4    4  -0.003410  -0.101370   0.105260
-    1SOL     H5    5   0.090735  -0.100946   0.122546
-    1SOL     H6    6  -0.042132  -0.059695   0.182241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.006291   0.052722  -0.144470
-    0SOL     H2    2   0.026183   0.038990  -0.051852
-    0SOL     H3    3  -0.083220   0.020431  -0.154834
-    1SOL     O4    4  -0.004215  -0.045023   0.136797
-    1SOL     H5    5   0.064419  -0.033995   0.202602
-    1SOL     H6    6  -0.021613  -0.139143   0.135807
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.120833   0.049672   0.069712
-    0SOL     H2    2  -0.117946   0.116866   0.001603
-    0SOL     H3    3  -0.193079  -0.007571   0.043905
-    1SOL     O4    4   0.125267  -0.055855  -0.068492
-    1SOL     H5    5   0.155860   0.033742  -0.082590
-    1SOL     H6    6   0.078858  -0.052485   0.015157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089257   0.078667  -0.096186
-    0SOL     H2    2  -0.069318  -0.009112  -0.128738
-    0SOL     H3    3  -0.135857   0.063743  -0.013918
-    1SOL     O4    4   0.083999  -0.074249   0.092501
-    1SOL     H5    5   0.157744  -0.122056   0.130426
-    1SOL     H6    6   0.121685   0.008740   0.063262
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.116966   0.088869  -0.041516
-    0SOL     H2    2  -0.050526   0.021641  -0.026405
-    0SOL     H3    3  -0.179950   0.047522  -0.100556
-    1SOL     O4    4   0.114125  -0.087178   0.041198
-    1SOL     H5    5   0.185993  -0.028983   0.016485
-    1SOL     H6    6   0.085656  -0.055146   0.126789
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.100681   0.033907   0.113912
-    0SOL     H2    2  -0.123562   0.028924   0.021101
-    0SOL     H3    3  -0.017690  -0.013298   0.120737
-    1SOL     O4    4   0.096020  -0.035055  -0.104254
-    1SOL     H5    5   0.076545   0.058158  -0.113971
-    1SOL     H6    6   0.141220  -0.058699  -0.185248
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.050095   0.141175  -0.048606
-    0SOL     H2    2   0.005981   0.128647  -0.125162
-    0SOL     H3    3  -0.056471   0.054246  -0.009045
-    1SOL     O4    4   0.045848  -0.130642   0.046549
-    1SOL     H5    5   0.126595  -0.181353   0.054954
-    1SOL     H6    6  -0.008449  -0.159652   0.119847
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000192  -0.117518   0.090205
-    0SOL     H2    2  -0.034503  -0.160725   0.012156
-    0SOL     H3    3   0.050103  -0.185691   0.135190
-    1SOL     O4    4   0.000204   0.125827  -0.094968
-    1SOL     H5    5  -0.070276   0.157538  -0.038493
-    1SOL     H6    6   0.047164   0.062043  -0.041221
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.064104   0.079714   0.120090
-    0SOL     H2    2   0.051482   0.163576   0.075704
-    0SOL     H3    3   0.038183   0.014152   0.055344
-    1SOL     O4    4  -0.061814  -0.080109  -0.106415
-    1SOL     H5    5  -0.135044  -0.092341  -0.166830
-    1SOL     H6    6   0.014765  -0.070844  -0.163090
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.041195  -0.023985  -0.152281
-    0SOL     H2    2   0.046879  -0.060600  -0.160320
-    0SOL     H3    3  -0.054730  -0.014503  -0.057998
-    1SOL     O4    4   0.039667   0.023304   0.141080
-    1SOL     H5    5   0.077417   0.046822   0.225839
-    1SOL     H6    6  -0.053910   0.040971   0.150752
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.033773  -0.076653  -0.132464
-    0SOL     H2    2  -0.057060  -0.059879  -0.107360
-    0SOL     H3    3   0.060781  -0.150015  -0.077228
-    1SOL     O4    4  -0.033369   0.080122   0.131157
-    1SOL     H5    5   0.023519   0.006122   0.109943
-    1SOL     H6    6  -0.007055   0.148918   0.070026
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.049094   0.139963   0.052145
-    0SOL     H2    2  -0.047559   0.055854   0.097815
-    0SOL     H3    3  -0.140802   0.152306   0.027660
-    1SOL     O4    4   0.047819  -0.135659  -0.054680
-    1SOL     H5    5   0.100893  -0.213464  -0.037598
-    1SOL     H6    6   0.109541  -0.062735  -0.048780
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.130165  -0.077837   0.035022
-    0SOL     H2    2   0.200183  -0.020679   0.003514
-    0SOL     H3    3   0.172761  -0.162368   0.049242
-    1SOL     O4    4  -0.133225   0.084954  -0.035808
-    1SOL     H5    5  -0.208252   0.039972  -0.074665
-    1SOL     H6    6  -0.103191   0.026099   0.033448
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.024370   0.135876   0.093298
-    0SOL     H2    2   0.056202   0.131383   0.144778
-    0SOL     H3    3  -0.015064   0.066459   0.028052
-    1SOL     O4    4   0.016530  -0.126820  -0.094807
-    1SOL     H5    5   0.108690  -0.148212  -0.109340
-    1SOL     H6    6  -0.015427  -0.196255  -0.037189
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079124  -0.097060  -0.107805
-    0SOL     H2    2  -0.012998  -0.121365  -0.117027
-    0SOL     H3    3   0.106256  -0.136780  -0.025049
-    1SOL     O4    4  -0.070410   0.097591   0.101263
-    1SOL     H5    5  -0.142280   0.130289   0.047153
-    1SOL     H6    6  -0.096267   0.118889   0.190930
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.146511   0.067313   0.055684
-    0SOL     H2    2  -0.082719   0.128217   0.018487
-    0SOL     H3    3  -0.111193  -0.019440   0.035967
-    1SOL     O4    4   0.135292  -0.066583  -0.048286
-    1SOL     H5    5   0.204482  -0.001326  -0.037491
-    1SOL     H6    6   0.155806  -0.109821  -0.131184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.019494  -0.056024  -0.155647
-    0SOL     H2    2   0.112196  -0.049341  -0.178537
-    0SOL     H3    3  -0.002247   0.029426  -0.118392
-    1SOL     O4    4  -0.029405   0.053737   0.156307
-    1SOL     H5    5  -0.022947  -0.036632   0.125420
-    1SOL     H6    6   0.061276   0.084008   0.161074
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.099028   0.136527  -0.053744
-    0SOL     H2    2  -0.130001   0.157799   0.034293
-    0SOL     H3    3  -0.062108   0.048590  -0.045601
-    1SOL     O4    4   0.091357  -0.133335   0.047213
-    1SOL     H5    5   0.140336  -0.153795   0.126867
-    1SOL     H6    6   0.157840  -0.103455  -0.014831
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.148061  -0.079293   0.050227
-    0SOL     H2    2   0.055004  -0.057330   0.054751
-    0SOL     H3    3   0.149749  -0.174210   0.037978
-    1SOL     O4    4  -0.140043   0.083926  -0.044780
-    1SOL     H5    5  -0.177194   0.004860  -0.083904
-    1SOL     H6    6  -0.161175   0.153637  -0.106879
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140627  -0.082951   0.044565
-    0SOL     H2    2  -0.097272  -0.130394   0.115501
-    0SOL     H3    3  -0.233230  -0.105347   0.053802
-    1SOL     O4    4   0.149320   0.084537  -0.043824
-    1SOL     H5    5   0.057085   0.059734  -0.050145
-    1SOL     H6    6   0.162608   0.146107  -0.115899
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.142173  -0.090815   0.043910
-    0SOL     H2    2   0.185733  -0.008980   0.020077
-    0SOL     H3    3   0.181799  -0.115655   0.127427
-    1SOL     O4    4  -0.149284   0.088323  -0.055065
-    1SOL     H5    5  -0.106080   0.017733  -0.006974
-    1SOL     H6    6  -0.155767   0.159938   0.008113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.163836  -0.054551  -0.020732
-    0SOL     H2    2   0.167356  -0.146304   0.006312
-    0SOL     H3    3   0.194057  -0.055125  -0.111554
-    1SOL     O4    4  -0.172697   0.058024   0.023580
-    1SOL     H5    5  -0.101743   0.001141   0.053449
-    1SOL     H6    6  -0.130688   0.142602   0.007955
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.064460  -0.163180  -0.037290
-    0SOL     H2    2   0.024437  -0.195328  -0.022249
-    0SOL     H3    3  -0.064617  -0.134951  -0.128753
-    1SOL     O4    4   0.062918   0.160420   0.044782
-    1SOL     H5    5  -0.032752   0.159307   0.041906
-    1SOL     H6    6   0.088189   0.224329  -0.021846
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.145628   0.074865  -0.062317
-    0SOL     H2    2  -0.209628   0.036729  -0.122417
-    0SOL     H3    3  -0.195151   0.091964   0.017792
-    1SOL     O4    4   0.152543  -0.078306   0.066480
-    1SOL     H5    5   0.219584  -0.016715   0.036912
-    1SOL     H6    6   0.077091  -0.060414   0.010363
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.060790  -0.071002   0.153291
-    0SOL     H2    2   0.132835  -0.133062   0.142315
-    0SOL     H3    3   0.100766   0.014865   0.139467
-    1SOL     O4    4  -0.073223   0.072698  -0.153362
-    1SOL     H5    5  -0.013368   0.096723  -0.082634
-    1SOL     H6    6  -0.028362   0.002037  -0.199804
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.178599  -0.005217   0.035902
-    0SOL     H2    2   0.100087  -0.021252  -0.016453
-    0SOL     H3    3   0.240556  -0.072401   0.007444
-    1SOL     O4    4  -0.173812   0.012855  -0.036343
-    1SOL     H5    5  -0.215514   0.056449   0.037972
-    1SOL     H6    6  -0.190820  -0.080270  -0.022169
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102860   0.025617  -0.141240
-    0SOL     H2    2   0.113224   0.075178  -0.222472
-    0SOL     H3    3   0.191534  -0.002679  -0.118912
-    1SOL     O4    4  -0.113334  -0.028942   0.147135
-    1SOL     H5    5  -0.067310  -0.064236   0.070987
-    1SOL     H6    6  -0.060536   0.046086   0.174438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.170412   0.054082   0.048189
-    0SOL     H2    2   0.097384   0.053331   0.110065
-    0SOL     H3    3   0.216471  -0.028242   0.064425
-    1SOL     O4    4  -0.170267  -0.044098  -0.049981
-    1SOL     H5    5  -0.211912  -0.127935  -0.029994
-    1SOL     H6    6  -0.103689  -0.065362  -0.115384
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.147893   0.089529  -0.053366
-    0SOL     H2    2   0.230275   0.120171  -0.091268
-    0SOL     H3    3   0.173551   0.018862   0.005881
-    1SOL     O4    4  -0.151979  -0.092708   0.050752
-    1SOL     H5    5  -0.113274  -0.007386   0.031143
-    1SOL     H6    6  -0.234798  -0.072100   0.094095
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.136681  -0.069293   0.103770
-    0SOL     H2    2   0.144854  -0.162932   0.121858
-    0SOL     H3    3   0.066945  -0.039559   0.162209
-    1SOL     O4    4  -0.136758   0.069824  -0.113723
-    1SOL     H5    5  -0.177374   0.095121  -0.030821
-    1SOL     H6    6  -0.043146   0.084350  -0.100001
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.160257  -0.107133   0.020911
-    0SOL     H2    2   0.152616  -0.086419  -0.072229
-    0SOL     H3    3   0.070476  -0.103036   0.053850
-    1SOL     O4    4  -0.154062   0.105284  -0.023434
-    1SOL     H5    5  -0.235754   0.126290   0.021815
-    1SOL     H6    6  -0.090212   0.092939   0.046802
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.091593   0.128417   0.119677
-    0SOL     H2    2   0.038221   0.066419   0.169376
-    0SOL     H3    3   0.084029   0.099171   0.028849
-    1SOL     O4    4  -0.089197  -0.125150  -0.111665
-    1SOL     H5    5  -0.008344  -0.137268  -0.161446
-    1SOL     H6    6  -0.145479  -0.073641  -0.169471
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.131424   0.072872   0.130403
-    0SOL     H2    2   0.081233  -0.007379   0.144651
-    0SOL     H3    3   0.079913   0.141301   0.173140
-    1SOL     O4    4  -0.124699  -0.079386  -0.132935
-    1SOL     H5    5  -0.202858  -0.027203  -0.114761
-    1SOL     H6    6  -0.059940  -0.015810  -0.163378
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.028355   0.173683   0.097746
-    0SOL     H2    2   0.043716   0.133875   0.146566
-    0SOL     H3    3   0.012661   0.244149   0.047600
-    1SOL     O4    4   0.027607  -0.177607  -0.096411
-    1SOL     H5    5   0.006049  -0.112536  -0.163219
-    1SOL     H6    6  -0.056290  -0.198575  -0.055376
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.155098   0.085164  -0.114747
-    0SOL     H2    2   0.216909   0.014189  -0.097307
-    0SOL     H3    3   0.078470   0.063884  -0.061477
-    1SOL     O4    4  -0.147816  -0.079885   0.110199
-    1SOL     H5    5  -0.199543  -0.067777   0.189823
-    1SOL     H6    6  -0.212639  -0.096582   0.041777
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128608   0.084937  -0.148490
-    0SOL     H2    2  -0.035671   0.064204  -0.158242
-    0SOL     H3    3  -0.156205   0.035676  -0.071198
-    1SOL     O4    4   0.118655  -0.080876   0.143805
-    1SOL     H5    5   0.172439  -0.152168   0.178256
-    1SOL     H6    6   0.181274  -0.011644   0.122635
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.088332   0.182419   0.036071
-    0SOL     H2    2   0.031175   0.230357   0.096049
-    0SOL     H3    3   0.163111   0.156376   0.089850
-    1SOL     O4    4  -0.094815  -0.187226  -0.041978
-    1SOL     H5    5  -0.030446  -0.191519   0.028737
-    1SOL     H6    6  -0.060605  -0.120574  -0.101556
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.193074   0.028834   0.089858
-    0SOL     H2    2   0.227048  -0.041479   0.034504
-    0SOL     H3    3   0.115819   0.060844   0.043282
-    1SOL     O4    4  -0.191573  -0.032214  -0.080756
-    1SOL     H5    5  -0.109184   0.012488  -0.100147
-    1SOL     H6    6  -0.258632   0.021932  -0.122392
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139047   0.118497  -0.103532
-    0SOL     H2    2   0.199125   0.156523  -0.167618
-    0SOL     H3    3   0.193721   0.100666  -0.027013
-    1SOL     O4    4  -0.142613  -0.123027   0.107451
-    1SOL     H5    5  -0.232492  -0.090115   0.108352
-    1SOL     H6    6  -0.109148  -0.099074   0.021030
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.168717  -0.134632   0.037241
-    0SOL     H2    2   0.236830  -0.075618   0.069494
-    0SOL     H3    3   0.093789  -0.077630   0.019956
-    1SOL     O4    4  -0.171348   0.123553  -0.042510
-    1SOL     H5    5  -0.190730   0.141387   0.049515
-    1SOL     H6    6  -0.100663   0.184287  -0.064355
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.188289  -0.039092  -0.106423
-    0SOL     H2    2   0.134666  -0.079142  -0.174854
-    0SOL     H3    3   0.198368  -0.107796  -0.040541
-    1SOL     O4    4  -0.186200   0.045950   0.113666
-    1SOL     H5    5  -0.251682  -0.006215   0.067262
-    1SOL     H6    6  -0.120186   0.066113   0.047349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.096292  -0.203834   0.033881
-    0SOL     H2    2  -0.097026  -0.129376   0.094030
-    0SOL     H3    3  -0.102665  -0.164457  -0.053132
-    1SOL     O4    4   0.093991   0.193586  -0.025972
-    1SOL     H5    5   0.121827   0.152195  -0.107668
-    1SOL     H6    6   0.109255   0.287034  -0.039997
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.038015  -0.201307   0.096603
-    0SOL     H2    2  -0.089792  -0.254546   0.036211
-    0SOL     H3    3  -0.012719  -0.124560   0.045296
-    1SOL     O4    4   0.038988   0.199217  -0.083204
-    1SOL     H5    5   0.096191   0.150982  -0.142899
-    1SOL     H6    6  -0.007581   0.261155  -0.139395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.176410  -0.137754  -0.055179
-    0SOL     H2    2   0.102326  -0.082788  -0.080726
-    0SOL     H3    3   0.206167  -0.100800   0.027955
-    1SOL     O4    4  -0.171496   0.135297   0.046116
-    1SOL     H5    5  -0.171470   0.167100   0.136398
-    1SOL     H6    6  -0.214556   0.049935   0.050753
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001719  -0.014582  -0.225543
-    0SOL     H2    2   0.072723   0.006944  -0.281734
-    0SOL     H3    3   0.036771  -0.028555  -0.139023
-    1SOL     O4    4  -0.003766   0.019521   0.224436
-    1SOL     H5    5  -0.087941  -0.025910   0.228056
-    1SOL     H6    6   0.060910  -0.050466   0.215434
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.137948   0.011960  -0.185887
-    0SOL     H2    2   0.064468  -0.042778  -0.158195
-    0SOL     H3    3   0.119818   0.097719  -0.147429
-    1SOL     O4    4  -0.136388  -0.009909   0.186894
-    1SOL     H5    5  -0.074313  -0.080108   0.206416
-    1SOL     H6    6  -0.137909  -0.005112   0.091307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070326   0.103744  -0.184650
-    0SOL     H2    2  -0.088750   0.153657  -0.264222
-    0SOL     H3    3  -0.120903   0.147859  -0.116399
-    1SOL     O4    4   0.072662  -0.102455   0.183847
-    1SOL     H5    5   0.144583  -0.158196   0.154137
-    1SOL     H6    6   0.020804  -0.158776   0.241302
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110328  -0.041816  -0.186592
-    0SOL     H2    2  -0.171879  -0.100493  -0.230533
-    0SOL     H3    3  -0.060592  -0.001538  -0.257770
-    1SOL     O4    4   0.110229   0.040419   0.188490
-    1SOL     H5    5   0.136781  -0.000050   0.271071
-    1SOL     H6    6   0.105345   0.133982   0.208094
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/67/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.086824   0.161791   0.135262
-    0SOL     H2    2  -0.167111   0.125872   0.097498
-    0SOL     H3    3  -0.062908   0.233729   0.076822
-    1SOL     O4    4   0.094717  -0.164890  -0.134122
-    1SOL     H5    5   0.065367  -0.078099  -0.106403
-    1SOL     H6    6   0.032952  -0.225371  -0.093020
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/68/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.075365   0.172694  -0.133046
-    0SOL     H2    2  -0.134345   0.207823  -0.199752
-    0SOL     H3    3  -0.132765   0.125507  -0.072706
-    1SOL     O4    4   0.086836  -0.170329   0.137074
-    1SOL     H5    5   0.063786  -0.257019   0.103667
-    1SOL     H6    6   0.014009  -0.114207   0.110449
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/69/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.105199   0.109135  -0.192653
-    0SOL     H2    2   0.187959   0.061521  -0.185873
-    0SOL     H3    3   0.051433   0.055617  -0.251025
-    1SOL     O4    4  -0.111490  -0.102400   0.190256
-    1SOL     H5    5  -0.129746  -0.145477   0.273763
-    1SOL     H6    6  -0.017105  -0.086526   0.191570
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.103850   0.055147   0.219602
-    0SOL     H2    2   0.173790   0.120470   0.221501
-    0SOL     H3    3   0.037452   0.092752   0.161815
-    1SOL     O4    4  -0.102292  -0.056439  -0.220984
-    1SOL     H5    5  -0.045511  -0.114966  -0.170856
-    1SOL     H6    6  -0.190784  -0.077553  -0.191226
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/71/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.225567  -0.114622   0.028479
-    0SOL     H2    2  -0.151744  -0.075107   0.074857
-    0SOL     H3    3  -0.221114  -0.077605  -0.059681
-    1SOL     O4    4   0.215973   0.109608  -0.022422
-    1SOL     H5    5   0.276618   0.041302  -0.051034
-    1SOL     H6    6   0.255254   0.191155  -0.053557
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.243179   0.041607   0.044608
-    0SOL     H2    2   0.305499  -0.014478   0.090793
-    0SOL     H3    3   0.168120   0.047811   0.103684
-    1SOL     O4    4  -0.246461  -0.043460  -0.046995
-    1SOL     H5    5  -0.162307  -0.056761  -0.090625
-    1SOL     H6    6  -0.266763   0.048924  -0.061669
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.106490   0.073482   0.215819
-    0SOL     H2    2   0.085554   0.143932   0.277144
-    0SOL     H3    3   0.076608   0.105939   0.130872
-    1SOL     O4    4  -0.109174  -0.077935  -0.210549
-    1SOL     H5    5  -0.064655  -0.010853  -0.262322
-    1SOL     H6    6  -0.060376  -0.158328  -0.228384
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.145739  -0.009172   0.206069
-    0SOL     H2    2   0.163541   0.055595   0.137873
-    0SOL     H3    3   0.204151  -0.082201   0.185644
-    1SOL     O4    4  -0.156717   0.012870  -0.200589
-    1SOL     H5    5  -0.133029  -0.079494  -0.192216
-    1SOL     H6    6  -0.074952   0.056547  -0.224443
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149732  -0.188519   0.084806
-    0SOL     H2    2   0.111279  -0.101106   0.078269
-    0SOL     H3    3   0.236450  -0.173826   0.122575
-    1SOL     O4    4  -0.153680   0.182931  -0.079926
-    1SOL     H5    5  -0.179611   0.112943  -0.139856
-    1SOL     H6    6  -0.109132   0.246857  -0.135525
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.054840   0.066109  -0.237505
-    0SOL     H2    2  -0.121703   0.003115  -0.210609
-    0SOL     H3    3  -0.103547   0.134915  -0.282844
-    1SOL     O4    4   0.062231  -0.060281   0.238446
-    1SOL     H5    5   0.088065  -0.120015   0.168255
-    1SOL     H6    6   0.029709  -0.117530   0.307924
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.065734   0.208853  -0.132439
-    0SOL     H2    2   0.119253   0.282838  -0.161151
-    0SOL     H3    3  -0.019188   0.222998  -0.174277
-    1SOL     O4    4  -0.064947  -0.219435   0.137311
-    1SOL     H5    5  -0.020334  -0.160408   0.198038
-    1SOL     H6    6  -0.082956  -0.165514   0.060301
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.216025   0.125967   0.097834
-    0SOL     H2    2   0.167511   0.182431   0.037664
-    0SOL     H3    3   0.258224   0.061283   0.041287
-    1SOL     O4    4  -0.211708  -0.130159  -0.093612
-    1SOL     H5    5  -0.228904  -0.112210  -0.001176
-    1SOL     H6    6  -0.264519  -0.065760  -0.140793
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.026423   0.130983  -0.226672
-    0SOL     H2    2   0.022425   0.206491  -0.193888
-    0SOL     H3    3  -0.103900   0.168757  -0.268299
-    1SOL     O4    4   0.028809  -0.132115   0.223620
-    1SOL     H5    5   0.018664  -0.224747   0.201741
-    1SOL     H6    6   0.027940  -0.129823   0.319309
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.058781   0.250081  -0.076266
-    0SOL     H2    2  -0.035879   0.287149  -0.161494
-    0SOL     H3    3  -0.016675   0.308045  -0.012788
-    1SOL     O4    4   0.055950  -0.260465   0.073933
-    1SOL     H5    5   0.021671  -0.174797   0.048472
-    1SOL     H6    6   0.074735  -0.251982   0.167407
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.139655   0.171368   0.184089
-    0SOL     H2    2   0.065891   0.160552   0.244125
-    0SOL     H3    3   0.148385   0.086233   0.141214
-    1SOL     O4    4  -0.131220  -0.167336  -0.188389
-    1SOL     H5    5  -0.141095  -0.185116  -0.094855
-    1SOL     H6    6  -0.216782  -0.134227  -0.215689
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.058877   0.020166  -0.289852
-    0SOL     H2    2  -0.005098  -0.001556  -0.222046
-    0SOL     H3    3   0.021445   0.095952  -0.334770
-    1SOL     O4    4  -0.060144  -0.025464   0.290113
-    1SOL     H5    5   0.018334  -0.076299   0.269637
-    1SOL     H6    6  -0.030269   0.065470   0.291044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.281843  -0.140582  -0.035341
-    0SOL     H2    2   0.246396  -0.060543   0.003383
-    0SOL     H3    3   0.362323  -0.157361   0.013687
-    1SOL     O4    4  -0.288878   0.133772   0.026884
-    1SOL     H5    5  -0.199867   0.152052  -0.003200
-    1SOL     H6    6  -0.292756   0.171573   0.114739
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056614   0.130661   0.281930
-    0SOL     H2    2   0.110526   0.196792   0.238541
-    0SOL     H3    3   0.037780   0.167820   0.368109
-    1SOL     O4    4  -0.059175  -0.133727  -0.280752
-    1SOL     H5    5  -0.119866  -0.154398  -0.351827
-    1SOL     H6    6   0.019138  -0.185161  -0.300345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020788  -0.117002   0.319518
-    0SOL     H2    2   0.039187  -0.182090   0.387248
-    0SOL     H3    3   0.102983  -0.108799   0.271156
-    1SOL     O4    4  -0.032361   0.118274  -0.321372
-    1SOL     H5    5  -0.007046   0.178557  -0.251462
-    1SOL     H6    6   0.049902   0.096381  -0.365142
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-    6
-    0SOL     O1    1  -0.010529  -0.141853   0.318455
-    0SOL     H2    2  -0.032847  -0.096794   0.237006
-    0SOL     H3    3  -0.058093  -0.093851   0.386247
-    1SOL     O4    4   0.018120   0.134556  -0.323657
-    1SOL     H5    5   0.049753   0.187904  -0.250748
-    1SOL     H6    6  -0.075061   0.122114  -0.305631
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.078192   0.210339  -0.277485
-    0SOL     H2    2   0.116538   0.215517  -0.189934
-    0SOL     H3    3  -0.013934   0.232964  -0.264711
-    1SOL     O4    4  -0.070067  -0.212242   0.274549
-    1SOL     H5    5  -0.149052  -0.166229   0.302948
-    1SOL     H6    6  -0.093629  -0.250431   0.189999
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.207498   0.276746   0.160683
-    0SOL     H2    2  -0.274677   0.305174   0.222660
-    0SOL     H3    3  -0.238899   0.192318   0.128308
-    1SOL     O4    4   0.210358  -0.276268  -0.157356
-    1SOL     H5    5   0.289334  -0.304843  -0.203276
-    1SOL     H6    6   0.186284  -0.193989  -0.199935
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/630K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.074174   0.057216   0.389114
-    0SOL     H2    2   0.125074  -0.004396   0.441796
-    0SOL     H3    3   0.081968   0.140590   0.435486
-    1SOL     O4    4  -0.075322  -0.054273  -0.391744
-    1SOL     H5    5  -0.040079  -0.092036  -0.472331
-    1SOL     H6    6  -0.159817  -0.097653  -0.379863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/00/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.050332   0.091016   0.092865
-    0SOL     H2    2   0.083417   0.134182   0.014097
-    0SOL     H3    3  -0.009392   0.023774   0.060093
-    1SOL     O4    4  -0.046031  -0.091658  -0.081029
-    1SOL     H5    5  -0.009084  -0.040216  -0.152800
-    1SOL     H6    6  -0.136353  -0.108707  -0.107741
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/01/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.114816  -0.079989  -0.021652
-    0SOL     H2    2   0.122179   0.011878  -0.047507
-    0SOL     H3    3   0.023895  -0.089745   0.006639
-    1SOL     O4    4  -0.105508   0.074176   0.025429
-    1SOL     H5    5  -0.114170   0.150014  -0.032329
-    1SOL     H6    6  -0.181544   0.019707   0.005084
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/02/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.004359  -0.125684  -0.026351
-    0SOL     H2    2  -0.062560  -0.149228  -0.098605
-    0SOL     H3    3   0.038954  -0.207707  -0.002719
-    1SOL     O4    4   0.004510   0.134173   0.023601
-    1SOL     H5    5  -0.024062   0.174720   0.105467
-    1SOL     H6    6   0.045138   0.051791   0.050524
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/03/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.118816   0.056219  -0.045569
-    0SOL     H2    2  -0.132610   0.007720  -0.126932
-    0SOL     H3    3  -0.026160   0.080182  -0.047329
-    1SOL     O4    4   0.118081  -0.058037   0.044316
-    1SOL     H5    5   0.136106   0.025907   0.086634
-    1SOL     H6    6   0.042721  -0.093139   0.091761
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/04/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.076055  -0.108746  -0.044610
-    0SOL     H2    2  -0.006452  -0.157106  -0.089097
-    0SOL     H3    3  -0.074479  -0.021926  -0.084886
-    1SOL     O4    4   0.077139   0.109996   0.045950
-    1SOL     H5    5   0.067543   0.016304   0.063041
-    1SOL     H6    6  -0.001008   0.149559   0.084552
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/05/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.039607  -0.062967   0.108995
-    0SOL     H2    2   0.025938  -0.153287   0.080399
-    0SOL     H3    3   0.087834  -0.070889   0.191298
-    1SOL     O4    4  -0.042427   0.074633  -0.113992
-    1SOL     H5    5  -0.056013  -0.007506  -0.161225
-    1SOL     H6    6  -0.012635   0.047707  -0.027103
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/06/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.079913  -0.083143  -0.085663
-    0SOL     H2    2   0.019147  -0.027285  -0.037189
-    0SOL     H3    3   0.028328  -0.160422  -0.108667
-    1SOL     O4    4  -0.075801   0.078835   0.081178
-    1SOL     H5    5  -0.013924   0.080393   0.154193
-    1SOL     H6    6  -0.088873   0.170987   0.058829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/07/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.016637   0.078198  -0.111438
-    0SOL     H2    2   0.080674   0.007334  -0.117760
-    0SOL     H3    3   0.062377   0.155000  -0.145668
-    1SOL     O4    4  -0.027418  -0.083963   0.112566
-    1SOL     H5    5   0.027625  -0.069053   0.189444
-    1SOL     H6    6  -0.011663  -0.007886   0.056652
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/08/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128431  -0.022410   0.034187
-    0SOL     H2    2   0.165341  -0.110432   0.026973
-    0SOL     H3    3   0.171003   0.015226   0.111216
-    1SOL     O4    4  -0.138682   0.023348  -0.034734
-    1SOL     H5    5  -0.136301   0.049959  -0.126649
-    1SOL     H6    6  -0.047593   0.028740  -0.005821
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/09/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.147030  -0.008853   0.000703
-    0SOL     H2    2   0.097745   0.047912   0.059958
-    0SOL     H3    3   0.080864  -0.065832  -0.038512
-    1SOL     O4    4  -0.140060   0.006481   0.003841
-    1SOL     H5    5  -0.154050  -0.037094  -0.080230
-    1SOL     H6    6  -0.139026   0.099813  -0.017382
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/10/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.044496  -0.125587   0.067467
-    0SOL     H2    2  -0.107456  -0.065167   0.028125
-    0SOL     H3    3   0.040849  -0.093992   0.037798
-    1SOL     O4    4   0.040389   0.125252  -0.060223
-    1SOL     H5    5   0.005763   0.081675  -0.138098
-    1SOL     H6    6   0.122388   0.079519  -0.041594
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/11/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.070261   0.016699  -0.127208
-    0SOL     H2    2  -0.101888   0.106887  -0.132514
-    0SOL     H3    3  -0.033195   0.009401  -0.039258
-    1SOL     O4    4   0.066747  -0.019042   0.117274
-    1SOL     H5    5   0.142733  -0.077246   0.118159
-    1SOL     H6    6   0.048169  -0.002422   0.209691
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/12/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020639   0.133436  -0.053030
-    0SOL     H2    2   0.050503   0.205117   0.002936
-    0SOL     H3    3   0.009947   0.059306   0.006574
-    1SOL     O4    4  -0.022683  -0.128326   0.048657
-    1SOL     H5    5   0.061878  -0.163637   0.021001
-    1SOL     H6    6  -0.084840  -0.199235   0.032204
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/13/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.130330   0.047564  -0.016486
-    0SOL     H2    2  -0.138640   0.129780  -0.064795
-    0SOL     H3    3  -0.147978   0.071328   0.074543
-    1SOL     O4    4   0.135308  -0.059545   0.011621
-    1SOL     H5    5   0.174236   0.023015   0.040446
-    1SOL     H6    6   0.040998  -0.046220   0.021129
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/14/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.115352   0.070557  -0.060188
-    0SOL     H2    2  -0.186532   0.006563  -0.059615
-    0SOL     H3    3  -0.037532   0.020108  -0.036496
-    1SOL     O4    4   0.110193  -0.059602   0.057803
-    1SOL     H5    5   0.184764  -0.073177  -0.000654
-    1SOL     H6    6   0.130906  -0.111439   0.135561
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/15/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.144099   0.019701  -0.007427
-    0SOL     H2    2  -0.134580   0.058500   0.079558
-    0SOL     H3    3  -0.114797   0.088154  -0.067575
-    1SOL     O4    4   0.147803  -0.023644   0.004380
-    1SOL     H5    5   0.069610   0.023771   0.032663
-    1SOL     H6    6   0.122417  -0.115880   0.007608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/16/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.020103  -0.135114   0.053294
-    0SOL     H2    2  -0.072751  -0.141267   0.030872
-    0SOL     H3    3   0.065832  -0.150885  -0.029304
-    1SOL     O4    4  -0.023518   0.136873  -0.050597
-    1SOL     H5    5  -0.002447   0.082287   0.025158
-    1SOL     H6    6   0.057899   0.183258  -0.070141
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/17/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.066474  -0.104611   0.068857
-    0SOL     H2    2   0.141583  -0.138204   0.117769
-    0SOL     H3    3  -0.004406  -0.101174   0.133095
-    1SOL     O4    4  -0.070518   0.104981  -0.079338
-    1SOL     H5    5  -0.053255   0.193602  -0.047547
-    1SOL     H6    6  -0.003280   0.051036  -0.037728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/18/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047711   0.128789  -0.046210
-    0SOL     H2    2   0.063988   0.057411  -0.107874
-    0SOL     H3    3   0.118951   0.190766  -0.061892
-    1SOL     O4    4  -0.053733  -0.130818   0.045985
-    1SOL     H5    5  -0.097368  -0.050245   0.073666
-    1SOL     H6    6   0.008818  -0.149502   0.115989
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/19/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.107093   0.073924  -0.079377
-    0SOL     H2    2   0.176196   0.007718  -0.081361
-    0SOL     H3    3   0.026092   0.023795  -0.069989
-    1SOL     O4    4  -0.104378  -0.067270   0.072143
-    1SOL     H5    5  -0.093574  -0.138824   0.134797
-    1SOL     H6    6  -0.151587   0.000307   0.120795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/20/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.012086   0.142530   0.006011
-    0SOL     H2    2  -0.088356   0.161450  -0.048644
-    0SOL     H3    3   0.026998   0.228208   0.023160
-    1SOL     O4    4   0.009823  -0.151815   0.000119
-    1SOL     H5    5   0.084347  -0.179848  -0.053010
-    1SOL     H6    6   0.002282  -0.057900  -0.016775
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/21/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.035890   0.073659   0.132221
-    0SOL     H2    2   0.094697   0.051385   0.060055
-    0SOL     H3    3  -0.048982   0.088181   0.090410
-    1SOL     O4    4  -0.032355  -0.068012  -0.123843
-    1SOL     H5    5  -0.108326  -0.114633  -0.088955
-    1SOL     H6    6   0.000805  -0.124814  -0.193386
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/22/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.112447   0.025406  -0.097824
-    0SOL     H2    2   0.059776   0.029081  -0.017983
-    0SOL     H3    3   0.177352   0.094919  -0.086977
-    1SOL     O4    4  -0.109015  -0.030856   0.096925
-    1SOL     H5    5  -0.196601   0.007037   0.104355
-    1SOL     H6    6  -0.103533  -0.061028   0.006251
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/23/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047826   0.080044  -0.116817
-    0SOL     H2    2   0.010112   0.097919  -0.030675
-    0SOL     H3    3   0.035499   0.161378  -0.165758
-    1SOL     O4    4  -0.045114  -0.081695   0.109801
-    1SOL     H5    5   0.023880  -0.142643   0.136023
-    1SOL     H6    6  -0.113538  -0.093083   0.175762
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/24/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.024005   0.045666   0.133701
-    0SOL     H2    2   0.078407   0.117837   0.165230
-    0SOL     H3    3  -0.021290   0.013862   0.211798
-    1SOL     O4    4  -0.030177  -0.052539  -0.140405
-    1SOL     H5    5   0.030022  -0.029594  -0.211200
-    1SOL     H6    6   0.000791  -0.002000  -0.065244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/25/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.047463   0.134255   0.056138
-    0SOL     H2    2  -0.000372   0.052529   0.042175
-    0SOL     H3    3  -0.019936   0.202187   0.053947
-    1SOL     O4    4  -0.040185  -0.126992  -0.054319
-    1SOL     H5    5   0.000972  -0.203436  -0.014010
-    1SOL     H6    6  -0.108344  -0.163419  -0.110796
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/26/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.089242   0.114044  -0.007057
-    0SOL     H2    2   0.151941   0.099149  -0.077833
-    0SOL     H3    3   0.123307   0.190426   0.039502
-    1SOL     O4    4  -0.096061  -0.124490   0.007883
-    1SOL     H5    5  -0.164014  -0.060548   0.029242
-    1SOL     H6    6  -0.015715  -0.072866   0.001410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/27/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.052770   0.079722  -0.133778
-    0SOL     H2    2   0.118229   0.010191  -0.127225
-    0SOL     H3    3  -0.025746   0.042638  -0.093501
-    1SOL     O4    4  -0.046995  -0.070395   0.132115
-    1SOL     H5    5  -0.046056  -0.166047   0.128644
-    1SOL     H6    6  -0.139558  -0.047034   0.125142
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/28/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.128539   0.078601   0.072215
-    0SOL     H2    2  -0.059275   0.090010   0.137290
-    0SOL     H3    3  -0.081959   0.065943  -0.010444
-    1SOL     O4    4   0.121754  -0.075428  -0.066358
-    1SOL     H5    5   0.110665  -0.170102  -0.075093
-    1SOL     H6    6   0.126970  -0.043465  -0.156433
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/29/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.063769  -0.010796  -0.157459
-    0SOL     H2    2  -0.129168   0.046076  -0.116828
-    0SOL     H3    3   0.018007   0.010847  -0.112665
-    1SOL     O4    4   0.059951   0.004706   0.157215
-    1SOL     H5    5   0.149555   0.038022   0.152368
-    1SOL     H6    6   0.031697  -0.001527   0.065973
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/30/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.021471  -0.097294  -0.132326
-    0SOL     H2    2  -0.041758  -0.169088  -0.135472
-    0SOL     H3    3  -0.031942  -0.018030  -0.137482
-    1SOL     O4    4  -0.022339   0.097578   0.131964
-    1SOL     H5    5   0.037375   0.033399   0.093524
-    1SOL     H6    6   0.033639   0.152705   0.186643
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/31/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.034090  -0.096931  -0.134361
-    0SOL     H2    2   0.019468  -0.011849  -0.093013
-    0SOL     H3    3   0.121846  -0.122610  -0.106046
-    1SOL     O4    4  -0.037215   0.092363   0.124257
-    1SOL     H5    5  -0.033985   0.176169   0.170392
-    1SOL     H6    6  -0.065292   0.029452   0.190712
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/32/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.104152   0.082596   0.103141
-    0SOL     H2    2   0.039022   0.115399   0.041138
-    0SOL     H3    3   0.126752   0.158652   0.156687
-    1SOL     O4    4  -0.104490  -0.084498  -0.107861
-    1SOL     H5    5  -0.145766  -0.114910  -0.027030
-    1SOL     H6    6  -0.018373  -0.126285  -0.108028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/33/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.022087  -0.013697   0.172337
-    0SOL     H2    2  -0.024735  -0.105289   0.200020
-    0SOL     H3    3   0.050608  -0.009497   0.110207
-    1SOL     O4    4   0.023818   0.020405  -0.167885
-    1SOL     H5    5   0.008030  -0.064768  -0.208610
-    1SOL     H6    6  -0.060347   0.065651  -0.173478
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/34/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.037502  -0.166712  -0.032702
-    0SOL     H2    2   0.007652  -0.246871   0.010260
-    0SOL     H3    3   0.021600  -0.097649   0.031638
-    1SOL     O4    4  -0.028502   0.167370   0.027639
-    1SOL     H5    5  -0.100093   0.199412   0.082505
-    1SOL     H6    6  -0.071924   0.129797  -0.048945
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/35/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.103652  -0.062358  -0.115503
-    0SOL     H2    2  -0.062935  -0.061773  -0.202129
-    0SOL     H3    3  -0.189492  -0.102296  -0.129603
-    1SOL     O4    4   0.112144   0.068334   0.120830
-    1SOL     H5    5   0.104082  -0.026684   0.129134
-    1SOL     H6    6   0.021886   0.099651   0.114917
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/36/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.055113  -0.114556   0.108136
-    0SOL     H2    2   0.008371  -0.198076   0.106767
-    0SOL     H3    3   0.118866  -0.123892   0.178922
-    1SOL     O4    4  -0.062048   0.117485  -0.114280
-    1SOL     H5    5   0.001020   0.081065  -0.052163
-    1SOL     H6    6  -0.023103   0.200339  -0.142223
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/37/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.134406   0.106672   0.046807
-    0SOL     H2    2  -0.087463   0.130652  -0.033091
-    0SOL     H3    3  -0.076235   0.133713   0.117851
-    1SOL     O4    4   0.127852  -0.103713  -0.049611
-    1SOL     H5    5   0.173801  -0.121722   0.032406
-    1SOL     H6    6   0.096934  -0.189366  -0.079105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/38/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.064157   0.045550   0.160008
-    0SOL     H2    2   0.021144  -0.030961   0.121819
-    0SOL     H3    3   0.143693   0.010742   0.200315
-    1SOL     O4    4  -0.061578  -0.041744  -0.161603
-    1SOL     H5    5  -0.114868  -0.049968  -0.082515
-    1SOL     H6    6  -0.107762   0.022853  -0.215051
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/39/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.136571  -0.085254  -0.071562
-    0SOL     H2    2   0.132788  -0.080454  -0.167086
-    0SOL     H3    3   0.221096  -0.046463  -0.048912
-    1SOL     O4    4  -0.138156   0.087347   0.079210
-    1SOL     H5    5  -0.101226   0.036812   0.006790
-    1SOL     H6    6  -0.227794   0.054902   0.087860
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/40/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.108160   0.115665  -0.076829
-    0SOL     H2    2   0.107463   0.199651  -0.030915
-    0SOL     H3    3   0.200541   0.090802  -0.079978
-    1SOL     O4    4  -0.116583  -0.124182   0.072104
-    1SOL     H5    5  -0.030462  -0.118659   0.113515
-    1SOL     H6    6  -0.147218  -0.033578   0.068258
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/41/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.149437   0.090083  -0.058519
-    0SOL     H2    2   0.129089   0.163213  -0.116831
-    0SOL     H3    3   0.065927   0.044800  -0.046774
-    1SOL     O4    4  -0.143571  -0.090199   0.067327
-    1SOL     H5    5  -0.157872  -0.031617  -0.007009
-    1SOL     H6    6  -0.117430  -0.173317   0.027699
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/42/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.137061   0.032767   0.120090
-    0SOL     H2    2  -0.135932  -0.041239   0.059392
-    0SOL     H3    3  -0.087479   0.002248   0.196068
-    1SOL     O4    4   0.128875  -0.024058  -0.117680
-    1SOL     H5    5   0.131335  -0.092474  -0.184580
-    1SOL     H6    6   0.217115   0.013036  -0.118033
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/43/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.140462  -0.016000  -0.120983
-    0SOL     H2    2  -0.225093  -0.012988  -0.076366
-    0SOL     H3    3  -0.076648   0.005179  -0.052855
-    1SOL     O4    4   0.137118   0.019278   0.111130
-    1SOL     H5    5   0.123601  -0.014747   0.199572
-    1SOL     H6    6   0.220290  -0.018961   0.083157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/44/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.061002  -0.112761   0.127963
-    0SOL     H2    2   0.125495  -0.153453   0.070108
-    0SOL     H3    3   0.008422  -0.185847   0.160461
-    1SOL     O4    4  -0.057681   0.119597  -0.132046
-    1SOL     H5    5  -0.042705   0.083637  -0.044611
-    1SOL     H6    6  -0.144316   0.159971  -0.126874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/45/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.102590  -0.114470   0.096890
-    0SOL     H2    2   0.074131  -0.180911   0.159643
-    0SOL     H3    3   0.167149  -0.062409   0.144682
-    1SOL     O4    4  -0.109236   0.115745  -0.107789
-    1SOL     H5    5  -0.125381   0.132612  -0.014960
-    1SOL     H6    6  -0.016454   0.092628  -0.112198
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/46/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.059878  -0.164932   0.053451
-    0SOL     H2    2   0.140135  -0.194311   0.096555
-    0SOL     H3    3  -0.010186  -0.189513   0.113859
-    1SOL     O4    4  -0.057035   0.167769  -0.052730
-    1SOL     H5    5  -0.069073   0.093531  -0.111943
-    1SOL     H6    6  -0.092573   0.242655  -0.100599
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/47/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000431  -0.126796  -0.141800
-    0SOL     H2    2   0.039339  -0.101324  -0.058135
-    0SOL     H3    3   0.069102  -0.109953  -0.206320
-    1SOL     O4    4  -0.006584   0.118215   0.139815
-    1SOL     H5    5  -0.041430   0.195609   0.095563
-    1SOL     H6    6   0.055126   0.153097   0.204138
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/48/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.186936  -0.030880  -0.040440
-    0SOL     H2    2  -0.162816  -0.099173  -0.103022
-    0SOL     H3    3  -0.103883   0.010409  -0.016781
-    1SOL     O4    4   0.181923   0.026282   0.042784
-    1SOL     H5    5   0.175907   0.090454   0.113551
-    1SOL     H6    6   0.173478   0.078016  -0.037307
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/49/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.039635  -0.151012  -0.099335
-    0SOL     H2    2  -0.047285  -0.078921  -0.161838
-    0SOL     H3    3  -0.080841  -0.225378  -0.143312
-    1SOL     O4    4   0.043240   0.155091   0.110264
-    1SOL     H5    5  -0.038536   0.142773   0.062064
-    1SOL     H6    6   0.103586   0.091530   0.071784
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/50/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.128166  -0.135895   0.037010
-    0SOL     H2    2   0.194227  -0.069633   0.057197
-    0SOL     H3    3   0.076157  -0.143095   0.117044
-    1SOL     O4    4  -0.135101   0.131503  -0.042047
-    1SOL     H5    5  -0.076611   0.204728  -0.022571
-    1SOL     H6    6  -0.078956   0.066536  -0.084349
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/51/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.189334  -0.009491  -0.048698
-    0SOL     H2    2  -0.170993  -0.044947   0.038301
-    0SOL     H3    3  -0.154832  -0.075195  -0.109154
-    1SOL     O4    4   0.190632   0.011014   0.046728
-    1SOL     H5    5   0.141041   0.037820   0.124087
-    1SOL     H6    6   0.157261   0.066664  -0.023642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/52/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.070118  -0.098708  -0.150664
-    0SOL     H2    2   0.046937  -0.175316  -0.203163
-    0SOL     H3    3   0.139890  -0.129482  -0.092809
-    1SOL     O4    4  -0.072964   0.099482   0.155024
-    1SOL     H5    5   0.000731   0.158369   0.138785
-    1SOL     H6    6  -0.138853   0.125138   0.090505
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/53/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.073562   0.110811   0.140518
-    0SOL     H2    2  -0.077651   0.115805   0.236020
-    0SOL     H3    3  -0.165085   0.111745   0.112498
-    1SOL     O4    4   0.082072  -0.110356  -0.149494
-    1SOL     H5    5   0.082811  -0.053290  -0.072648
-    1SOL     H6    6   0.023022  -0.181845  -0.125731
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/54/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.110497   0.163563   0.028329
-    0SOL     H2    2  -0.137621   0.183166   0.118008
-    0SOL     H3    3  -0.146324   0.076528   0.010903
-    1SOL     O4    4   0.117624  -0.162306  -0.037264
-    1SOL     H5    5   0.066734  -0.207656   0.029937
-    1SOL     H6    6   0.104803  -0.069340  -0.018420
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/55/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.056956   0.078586  -0.181061
-    0SOL     H2    2   0.143362   0.059568  -0.144528
-    0SOL     H3    3  -0.004576   0.045716  -0.115519
-    1SOL     O4    4  -0.058953  -0.071237   0.170567
-    1SOL     H5    5  -0.122117  -0.126159   0.217003
-    1SOL     H6    6   0.025836  -0.095422   0.207826
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/56/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.069435   0.094279  -0.168949
-    0SOL     H2    2   0.028133   0.023916  -0.219003
-    0SOL     H3    3   0.119837   0.049163  -0.101224
-    1SOL     O4    4  -0.064418  -0.089432   0.171958
-    1SOL     H5    5  -0.067114  -0.072280   0.077826
-    1SOL     H6    6  -0.156178  -0.088367   0.199184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/57/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.101744  -0.075673   0.171104
-    0SOL     H2    2  -0.139167  -0.143191   0.114509
-    0SOL     H3    3  -0.076609  -0.005371   0.111202
-    1SOL     O4    4   0.101072   0.069603  -0.166452
-    1SOL     H5    5   0.085641   0.149424  -0.216978
-    1SOL     H6    6   0.144606   0.099721  -0.086702
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/58/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.206964  -0.018391  -0.015906
-    0SOL     H2    2   0.280925  -0.019839  -0.076652
-    0SOL     H3    3   0.139194   0.031253  -0.061786
-    1SOL     O4    4  -0.201125   0.016149   0.020857
-    1SOL     H5    5  -0.255348  -0.061494   0.006939
-    1SOL     H6    6  -0.261466   0.081553   0.056124
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/59/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.027959  -0.140342   0.150068
-    0SOL     H2    2   0.025694  -0.157426   0.072662
-    0SOL     H3    3  -0.071481  -0.223694   0.167974
-    1SOL     O4    4   0.029606   0.148454  -0.152500
-    1SOL     H5    5   0.030907   0.189129  -0.065862
-    1SOL     H6    6  -0.012002   0.063401  -0.138459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/60/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.206629   0.028149   0.017371
-    0SOL     H2    2   0.170591  -0.059335   0.031862
-    0SOL     H3    3   0.299753   0.019416   0.037716
-    1SOL     O4    4  -0.210439  -0.024403  -0.012729
-    1SOL     H5    5  -0.133320   0.014512  -0.053968
-    1SOL     H6    6  -0.269459  -0.043675  -0.085582
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/61/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.017116  -0.072367  -0.207041
-    0SOL     H2    2   0.043641  -0.058918  -0.134308
-    0SOL     H3    3  -0.091629  -0.015779  -0.186844
-    1SOL     O4    4   0.015533   0.067128   0.194581
-    1SOL     H5    5  -0.035700   0.063110   0.275335
-    1SOL     H6    6   0.103837   0.090346   0.223313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/62/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.195965  -0.059968  -0.039980
-    0SOL     H2    2  -0.276544  -0.015777  -0.013213
-    0SOL     H3    3  -0.216614  -0.097843  -0.125428
-    1SOL     O4    4   0.199894   0.059833   0.036323
-    1SOL     H5    5   0.160306   0.003293   0.102642
-    1SOL     H6    6   0.266129   0.109924   0.083927
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/63/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.162052   0.047414   0.133414
-    0SOL     H2    2   0.212550   0.096091   0.198550
-    0SOL     H3    3   0.089659   0.009071   0.182924
-    1SOL     O4    4  -0.157150  -0.042778  -0.138323
-    1SOL     H5    5  -0.140709  -0.107660  -0.206752
-    1SOL     H6    6  -0.239454  -0.070601  -0.098147
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/64/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.026642  -0.153375  -0.151866
-    0SOL     H2    2   0.101915  -0.126886  -0.099001
-    0SOL     H3    3   0.037348  -0.247812  -0.163243
-    1SOL     O4    4  -0.028922   0.159409   0.155169
-    1SOL     H5    5  -0.053070   0.214538   0.080738
-    1SOL     H6    6  -0.052763   0.070747   0.128096
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/65/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.118960  -0.143545   0.128327
-    0SOL     H2    2   0.103009  -0.190228   0.046300
-    0SOL     H3    3   0.051014  -0.076185   0.131209
-    1SOL     O4    4  -0.107560   0.140909  -0.127221
-    1SOL     H5    5  -0.119857   0.172832  -0.037823
-    1SOL     H6    6  -0.196349   0.126948  -0.160144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/66/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.214741   0.042131  -0.002186
-    0SOL     H2    2   0.271621   0.076436   0.066735
-    0SOL     H3    3   0.204382  -0.050596   0.019186
-    1SOL     O4    4  -0.211673  -0.041208  -0.004226
-    1SOL     H5    5  -0.297145  -0.075245  -0.030652
-    1SOL     H6    6  -0.231502   0.023584   0.063384
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/67/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2  -0.036467   0.202810   0.106567
-    0SOL     H3    3  -0.102384   0.075213   0.154450
-    1SOL     O4    4   0.112268  -0.152984  -0.101985
-    1SOL     H5    5   0.192153  -0.121098  -0.143986
-    1SOL     H6    6   0.069136  -0.205627  -0.169295
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-    6
-    0SOL     O1    1  -0.223020  -0.003029   0.049350
-    0SOL     H2    2  -0.141681   0.036807   0.080322
-    0SOL     H3    3  -0.216410   0.000012  -0.046093
-    1SOL     O4    4   0.211947   0.002443  -0.040528
-    1SOL     H5    5   0.296458   0.046137  -0.051067
-    1SOL     H6    6   0.215181  -0.071135  -0.101667
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.200793  -0.016723  -0.092179
-    0SOL     H2    2  -0.214933   0.077493  -0.101446
-    0SOL     H3    3  -0.256113  -0.056046  -0.159674
-    1SOL     O4    4   0.208558   0.014969   0.093744
-    1SOL     H5    5   0.182763   0.056301   0.176136
-    1SOL     H6    6   0.150552  -0.060746   0.085686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/70/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.009130   0.233149  -0.020492
-    0SOL     H2    2  -0.014724   0.170165   0.047526
-    0SOL     H3    3  -0.025024   0.195145  -0.101433
-    1SOL     O4    4   0.000906  -0.226222   0.025079
-    1SOL     H5    5  -0.037034  -0.178044  -0.048417
-    1SOL     H6    6  -0.065146  -0.291789   0.047452
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1  -0.061923   0.200768  -0.089469
-    0SOL     H2    2  -0.071562   0.256382  -0.012161
-    0SOL     H3    3  -0.092949   0.254946  -0.162026
-    1SOL     O4    4   0.063931  -0.207766   0.095884
-    1SOL     H5    5   0.019707  -0.144706   0.039052
-    1SOL     H6    6   0.114898  -0.262385   0.036039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/72/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.219694  -0.040130   0.095764
-    0SOL     H2    2   0.131150  -0.071950   0.078167
-    0SOL     H3    3   0.250705  -0.007511   0.011285
-    1SOL     O4    4  -0.214832   0.035296  -0.094556
-    1SOL     H5    5  -0.158477   0.102611  -0.056410
-    1SOL     H6    6  -0.301615   0.053351  -0.058429
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/73/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.213621  -0.024521   0.111172
-    0SOL     H2    2  -0.147692   0.025627   0.063205
-    0SOL     H3    3  -0.188612  -0.015277   0.203103
-    1SOL     O4    4   0.212763   0.024083  -0.112950
-    1SOL     H5    5   0.120669   0.050147  -0.114225
-    1SOL     H6    6   0.210926  -0.071054  -0.123336
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/74/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.018485   0.055786  -0.241171
-    0SOL     H2    2   0.031320   0.063953  -0.159838
-    0SOL     H3    3  -0.109166   0.044350  -0.212737
-    1SOL     O4    4   0.021673  -0.057489   0.227278
-    1SOL     H5    5  -0.030652  -0.102193   0.293806
-    1SOL     H6    6   0.062082   0.015780   0.273765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/75/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.162210  -0.056505   0.192198
-    0SOL     H2    2   0.134839   0.013671   0.133135
-    0SOL     H3    3   0.175051  -0.013202   0.276591
-    1SOL     O4    4  -0.161971   0.046294  -0.189216
-    1SOL     H5    5  -0.085697   0.064230  -0.244197
-    1SOL     H6    6  -0.227430   0.110192  -0.217401
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/76/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.083597   0.248098   0.016652
-    0SOL     H2    2  -0.132101   0.267423   0.096878
-    0SOL     H3    3  -0.140943   0.189282  -0.032485
-    1SOL     O4    4   0.087952  -0.252536  -0.017062
-    1SOL     H5    5   0.086836  -0.178022   0.043012
-    1SOL     H6    6   0.115674  -0.215419  -0.100824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/77/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.031831   0.128954  -0.245332
-    0SOL     H2    2   0.009765   0.086878  -0.162235
-    0SOL     H3    3  -0.028744   0.202797  -0.251672
-    1SOL     O4    4  -0.027557  -0.130576   0.247295
-    1SOL     H5    5  -0.051874  -0.063135   0.183871
-    1SOL     H6    6   0.007201  -0.202149   0.194082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/78/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.085306   0.227202  -0.152757
-    0SOL     H2    2   0.138129   0.306823  -0.158468
-    0SOL     H3    3   0.083866   0.206000  -0.059426
-    1SOL     O4    4  -0.088486  -0.227231   0.142412
-    1SOL     H5    5  -0.116764  -0.197056   0.228737
-    1SOL     H6    6  -0.059179  -0.317203   0.156852
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/79/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.212218  -0.180439  -0.096223
-    0SOL     H2    2   0.131440  -0.135170  -0.071974
-    0SOL     H3    3   0.187097  -0.236823  -0.169381
-    1SOL     O4    4  -0.200550   0.177624   0.099670
-    1SOL     H5    5  -0.245331   0.230280   0.165884
-    1SOL     H6    6  -0.254813   0.186392   0.021306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/80/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.162762  -0.191554   0.163890
-    0SOL     H2    2   0.216797  -0.167535   0.088619
-    0SOL     H3    3   0.112381  -0.112551   0.183451
-    1SOL     O4    4  -0.159565   0.190569  -0.158658
-    1SOL     H5    5  -0.213160   0.196325  -0.237758
-    1SOL     H6    6  -0.177549   0.103261  -0.123785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/81/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.089455  -0.029567   0.281028
-    0SOL     H2    2  -0.057852  -0.043670   0.370273
-    0SOL     H3    3  -0.043240  -0.094964   0.228589
-    1SOL     O4    4   0.084710   0.033270  -0.289745
-    1SOL     H5    5   0.020836   0.019926  -0.219715
-    1SOL     H6    6   0.165561   0.056931  -0.244296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/82/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.276465  -0.137180   0.013205
-    0SOL     H2    2  -0.283002  -0.051438   0.055252
-    0SOL     H3    3  -0.190331  -0.170037   0.038964
-    1SOL     O4    4   0.270233   0.140478  -0.017066
-    1SOL     H5    5   0.340407   0.101198  -0.068978
-    1SOL     H6    6   0.235837   0.068179   0.035395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/83/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.001324   0.110395   0.282645
-    0SOL     H2    2  -0.078258   0.131752   0.335441
-    0SOL     H3    3   0.035862   0.195356   0.258954
-    1SOL     O4    4   0.000621  -0.120512  -0.289557
-    1SOL     H5    5  -0.019517  -0.036118  -0.249129
-    1SOL     H6    6   0.078851  -0.151064  -0.243634
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/84/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.082618  -0.097853  -0.296649
-    0SOL     H2    2  -0.068303  -0.179547  -0.248863
-    0SOL     H3    3  -0.139995  -0.122267  -0.369272
-    1SOL     O4    4   0.079288   0.100356   0.298764
-    1SOL     H5    5   0.162459   0.072944   0.260118
-    1SOL     H6    6   0.093650   0.191420   0.324520
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/85/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.276698  -0.186547  -0.096395
-    0SOL     H2    2   0.276563  -0.219798  -0.186155
-    0SOL     H3    3   0.268594  -0.091650  -0.105944
-    1SOL     O4    4  -0.275874   0.189579   0.101032
-    1SOL     H5    5  -0.277317   0.139322   0.182485
-    1SOL     H6    6  -0.281248   0.123515   0.031974
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/86/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.041667   0.371804   0.012065
-    0SOL     H2    2   0.096326   0.441485   0.048386
-    0SOL     H3    3  -0.046689   0.392152   0.042748
-    1SOL     O4    4  -0.038092  -0.383317  -0.013729
-    1SOL     H5    5  -0.027236  -0.342802  -0.099770
-    1SOL     H6    6  -0.074898  -0.313940   0.040993
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/87/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1  -0.114538   0.188113   0.340970
-    0SOL     H2    2  -0.089116   0.236753   0.262547
-    0SOL     H3    3  -0.101488   0.096236   0.317508
-    1SOL     O4    4   0.114605  -0.188136  -0.338801
-    1SOL     H5    5   0.135245  -0.101376  -0.304029
-    1SOL     H6    6   0.041989  -0.219046  -0.284637
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/88/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.366874   0.237131  -0.014541
-    0SOL     H2    2   0.396399   0.211800  -0.101999
-    0SOL     H3    3   0.382874   0.159782   0.039529
-    1SOL     O4    4  -0.366288  -0.229569   0.022689
-    1SOL     H5    5  -0.421235  -0.171108  -0.029518
-    1SOL     H6    6  -0.366466  -0.312191  -0.025642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/VLE/640K/89/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.086487  -0.089979   0.445221
-    0SOL     H2    2   0.074942   0.004922   0.449993
-    0SOL     H3    3   0.142918  -0.103491   0.369094
-    1SOL     O4    4  -0.094939   0.085957  -0.438509
-    1SOL     H5    5  -0.050780   0.001040  -0.439681
-    1SOL     H6    6  -0.032154   0.146210  -0.478382
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/000/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002107   0.000543   0.095695
-    0SOL     H3    3  -0.080836   0.044158  -0.026036
-    1SOL     O4    4  -0.015917  -0.245317  -0.128249
-    1SOL     H5    5  -0.095676  -0.292740  -0.104760
-    1SOL     H6    6  -0.027467  -0.158416  -0.089817
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/001/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001106  -0.006528  -0.095491
-    0SOL     H3    3   0.076690  -0.049774   0.028347
-    1SOL     O4    4   0.200208  -0.148198   0.106595
-    1SOL     H5    5   0.186082  -0.156903   0.200866
-    1SOL     H6    6   0.278462  -0.093601   0.098994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/002/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072766   0.053771  -0.031242
-    0SOL     H3    3   0.014301  -0.007243   0.094368
-    1SOL     O4    4   0.016813  -0.011508   0.277880
-    1SOL     H5    5   0.085340   0.043507   0.315823
-    1SOL     H6    6   0.013170  -0.088173   0.335077
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/003/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077734   0.045648  -0.032186
-    0SOL     H3    3  -0.008903  -0.089182  -0.033610
-    1SOL     O4    4  -0.204994   0.123105  -0.103192
-    1SOL     H5    5  -0.283258   0.084581  -0.063785
-    1SOL     H6    6  -0.209215   0.215709  -0.079339
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/004/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014608  -0.004794  -0.094477
-    0SOL     H3    3  -0.088507  -0.034290   0.012370
-    1SOL     O4    4   0.219595  -0.126735   0.136775
-    1SOL     H5    5   0.137254  -0.083142   0.114823
-    1SOL     H6    6   0.286745  -0.074956   0.092366
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/005/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014547  -0.089307  -0.031224
-    0SOL     H3    3   0.009708  -0.005926   0.095042
-    1SOL     O4    4  -0.209062   0.130242  -0.092486
-    1SOL     H5    5  -0.133752   0.083157  -0.056799
-    1SOL     H6    6  -0.182772   0.153606  -0.181510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/006/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006004   0.000954   0.095527
-    0SOL     H3    3  -0.006598  -0.092754  -0.022706
-    1SOL     O4    4  -0.010257  -0.250409  -0.115074
-    1SOL     H5    5  -0.009163  -0.260007  -0.210305
-    1SOL     H6    6  -0.064303  -0.323147  -0.084242
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/007/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070722  -0.041912  -0.049032
-    0SOL     H3    3   0.078285  -0.049828  -0.023472
-    1SOL     O4    4   0.223198  -0.112686  -0.106515
-    1SOL     H5    5   0.214902  -0.200614  -0.069608
-    1SOL     H6    6   0.294883  -0.072666  -0.057301
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/008/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075648   0.020781   0.054844
-    0SOL     H3    3   0.072664   0.047473   0.040355
-    1SOL     O4    4   0.223485   0.126885   0.116587
-    1SOL     H5    5   0.298400   0.091004   0.069020
-    1SOL     H6    6   0.217585   0.217743   0.087053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/009/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007947   0.088725  -0.035030
-    0SOL     H3    3  -0.079961  -0.044277  -0.028429
-    1SOL     O4    4  -0.225855  -0.130814  -0.108718
-    1SOL     H5    5  -0.213799  -0.137837  -0.203416
-    1SOL     H6    6  -0.308520  -0.083654  -0.098482
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/010/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018042  -0.001876   0.093985
-    0SOL     H3    3   0.030739  -0.084801  -0.032036
-    1SOL     O4    4  -0.251686   0.106264  -0.101654
-    1SOL     H5    5  -0.247820   0.200563  -0.085687
-    1SOL     H6    6  -0.166990   0.073339  -0.071572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/011/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087616  -0.028814  -0.025602
-    0SOL     H3    3   0.009578   0.086332  -0.040217
-    1SOL     O4    4  -0.216580  -0.113454  -0.083752
-    1SOL     H5    5  -0.292513  -0.063840  -0.053175
-    1SOL     H6    6  -0.227064  -0.200067  -0.044375
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/012/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066666   0.046376  -0.050667
-    0SOL     H3    3   0.083191   0.030387  -0.036308
-    1SOL     O4    4  -0.222266   0.137779  -0.080939
-    1SOL     H5    5  -0.306035   0.094305  -0.064971
-    1SOL     H6    6  -0.230812   0.222875  -0.037950
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/013/qchem.out: Frame 1 of 1
-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.052250  -0.271952  -0.169102
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-    6
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-    1SOL     O4    4   0.203827  -0.147865  -0.098060
-    1SOL     H5    5   0.284198  -0.108298  -0.064336
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-    6
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-    1SOL     H5    5   0.017460  -0.166437  -0.093858
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-    6
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-    0SOL     H3    3   0.009438  -0.021183  -0.092868
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-    1SOL     H5    5   0.229231  -0.077545   0.228542
-    1SOL     H6    6   0.311952  -0.038869   0.107793
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079952  -0.029488   0.043595
-    0SOL     H3    3   0.008416   0.092018   0.024984
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-    1SOL     H5    5   0.002635   0.019329  -0.163539
-    1SOL     H6    6   0.060927  -0.033734  -0.292788
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.026951   0.007554   0.091536
-    0SOL     H3    3   0.000263   0.090052  -0.032449
-    1SOL     O4    4  -0.236161  -0.159255  -0.111106
-    1SOL     H5    5  -0.148512  -0.121944  -0.101737
-    1SOL     H6    6  -0.226994  -0.249804  -0.081456
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087398  -0.023364  -0.031273
-    0SOL     H3    3   0.013128   0.089829  -0.030345
-    1SOL     O4    4  -0.223608  -0.114694  -0.101068
-    1SOL     H5    5  -0.263845  -0.198929  -0.079909
-    1SOL     H6    6  -0.251194  -0.096827  -0.190968
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/023/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005585  -0.026018  -0.091947
-    0SOL     H3    3   0.087511   0.032550   0.021088
-    1SOL     O4    4   0.233750   0.091048   0.085384
-    1SOL     H5    5   0.242107   0.083340   0.180426
-    1SOL     H6    6   0.320558   0.068754   0.051773
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/024/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081671  -0.029574  -0.040218
-    0SOL     H3    3   0.068512  -0.030959  -0.059245
-    1SOL     O4    4   0.215166  -0.099979  -0.137375
-    1SOL     H5    5   0.239772  -0.100850  -0.229874
-    1SOL     H6    6   0.206963  -0.192401  -0.113852
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/025/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005232   0.000782   0.095574
-    0SOL     H3    3  -0.076153   0.054319  -0.020311
-    1SOL     O4    4  -0.201052   0.124727  -0.094041
-    1SOL     H5    5  -0.267870   0.080758  -0.041464
-    1SOL     H6    6  -0.198902   0.214223  -0.060157
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/026/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.064047  -0.061666  -0.035462
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-    1SOL     H5    5  -0.018980   0.178515  -0.055247
-    1SOL     H6    6   0.068202   0.302274  -0.056594
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001059   0.035104  -0.089044
-    0SOL     H3    3  -0.012629   0.076513   0.056112
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-    1SOL     H5    5  -0.221592  -0.227589   0.074750
-    1SOL     H6    6  -0.155243  -0.092040   0.086720
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/028/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073299  -0.039927   0.046856
-    0SOL     H3    3   0.077968  -0.036704   0.041667
-    1SOL     O4    4   0.241021  -0.055912   0.119052
-    1SOL     H5    5   0.253938  -0.049060   0.213648
-    1SOL     H6    6   0.313730  -0.006442   0.081256
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/029/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071726  -0.053030  -0.034721
-    0SOL     H3    3   0.076818  -0.027989  -0.049779
-    1SOL     O4    4   0.224470  -0.062915  -0.107363
-    1SOL     H5    5   0.242285  -0.076858  -0.200372
-    1SOL     H6    6   0.305579  -0.025736  -0.072703
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/030/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082574   0.030182  -0.037854
-    0SOL     H3    3   0.021242  -0.079440  -0.048993
-    1SOL     O4    4   0.210366   0.139409  -0.072454
-    1SOL     H5    5   0.217886   0.228587  -0.038498
-    1SOL     H6    6   0.126721   0.107724  -0.038369
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076630   0.044751  -0.035882
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-    1SOL     O4    4  -0.041982  -0.225322  -0.135240
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.011626   0.183408   0.044362
-    1SOL     H6    6   0.092363   0.309756   0.065259
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031111   0.017543  -0.088807
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-    1SOL     H5    5   0.032003  -0.287235   0.173044
-    1SOL     H6    6   0.098441  -0.314551   0.039782
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081967   0.033533  -0.036322
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-    1SOL     O4    4   0.025766  -0.245148  -0.109312
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031357   0.008683   0.090020
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-    1SOL     O4    4  -0.202083   0.387037   0.023038
-    1SOL     H5    5  -0.285349   0.425085  -0.004917
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010059  -0.006993   0.094933
-    0SOL     H3    3   0.078175   0.046998  -0.029020
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-    1SOL     H5    5   0.042423  -0.070204   0.307359
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003705   0.005356   0.095498
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-    1SOL     H5    5  -0.277929   0.120774  -0.084331
-    1SOL     H6    6  -0.126920   0.110147  -0.082801
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072628  -0.055342   0.028719
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-    1SOL     O4    4   0.047632   0.242168   0.138747
-    1SOL     H5    5  -0.020720   0.288860   0.090682
-    1SOL     H6    6   0.129505   0.272201   0.099286
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013620  -0.004121   0.094656
-    0SOL     H3    3  -0.040756   0.082442  -0.026543
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-    1SOL     H5    5   0.160248  -0.094103  -0.077845
-    1SOL     H6    6   0.214835  -0.228811  -0.120190
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076148   0.047169  -0.033747
-    0SOL     H3    3   0.001321  -0.081947  -0.049450
-    1SOL     O4    4   0.010941  -0.001989   0.272529
-    1SOL     H5    5   0.009772  -0.009824   0.177137
-    1SOL     H6    6   0.023074  -0.091631   0.303824
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.083179  -0.035012   0.031903
-    1SOL     O4    4   0.006411   0.001046  -0.278899
-    1SOL     H5    5   0.097374  -0.010578  -0.306338
-    1SOL     H6    6  -0.017477   0.087934  -0.311182
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009813   0.084149   0.044553
-    0SOL     H3    3   0.084942  -0.042830   0.010624
-    1SOL     O4    4   0.216213  -0.130295   0.122236
-    1SOL     H5    5   0.302873  -0.091058   0.111614
-    1SOL     H6    6   0.229775  -0.223464   0.104980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/043/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053818   0.062119   0.049063
-    0SOL     H3    3  -0.087728   0.009786   0.037019
-    1SOL     O4    4   0.004268   0.001165  -0.249734
-    1SOL     H5    5  -0.000471  -0.002425  -0.154199
-    1SOL     H6    6  -0.078188   0.041852  -0.276340
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/044/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010022   0.003082   0.095144
-    0SOL     H3    3   0.072025   0.060267  -0.018510
-    1SOL     O4    4  -0.209843   0.128625  -0.095692
-    1SOL     H5    5  -0.276539   0.064238  -0.071853
-    1SOL     H6    6  -0.129039   0.094927  -0.056994
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005668  -0.015171   0.094340
-    0SOL     H3    3  -0.012294   0.094554  -0.008405
-    1SOL     O4    4   0.221521  -0.114585  -0.104622
-    1SOL     H5    5   0.218490  -0.202362  -0.066565
-    1SOL     H6    6   0.140642  -0.072799  -0.075045
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/046/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081109  -0.044451  -0.024652
-    0SOL     H3    3   0.069195  -0.051721  -0.041222
-    1SOL     O4    4  -0.025251   0.029431   0.281847
-    1SOL     H5    5  -0.014029   0.003004   0.190535
-    1SOL     H6    6  -0.015225   0.124617   0.280689
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079911  -0.050989  -0.013293
-    0SOL     H3    3   0.070582  -0.058251  -0.028058
-    1SOL     O4    4  -0.213080  -0.135410  -0.039675
-    1SOL     H5    5  -0.238874  -0.149059  -0.130838
-    1SOL     H6    6  -0.291131  -0.099088   0.002170
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/048/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.023829  -0.089445   0.024373
-    0SOL     H3    3  -0.078254   0.018941   0.051767
-    1SOL     O4    4   0.014076  -0.247345   0.139447
-    1SOL     H5    5   0.097698  -0.284415   0.111242
-    1SOL     H6    6   0.017822  -0.249676   0.235065
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/049/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075129  -0.052341   0.027899
-    0SOL     H3    3   0.006896   0.080850   0.050775
-    1SOL     O4    4   0.019027   0.253018   0.074021
-    1SOL     H5    5  -0.054190   0.291686   0.025996
-    1SOL     H6    6   0.094381   0.307199   0.050597
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.089629  -0.024188   0.023320
-    1SOL     O4    4   0.240616  -0.148430   0.073391
-    1SOL     H5    5   0.167120  -0.090114   0.054422
-    1SOL     H6    6   0.318154  -0.098329   0.048092
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/051/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081938  -0.030084   0.039287
-    0SOL     H3    3   0.009593   0.090189   0.030598
-    1SOL     O4    4   0.231394   0.378446  -0.025245
-    1SOL     H5    5   0.320681   0.356364   0.001259
-    1SOL     H6    6   0.214453   0.463242   0.015801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/052/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000630  -0.006452   0.095500
-    0SOL     H3    3  -0.084051   0.040837  -0.020740
-    1SOL     O4    4  -0.012632   0.039067   0.281350
-    1SOL     H5    5  -0.005030  -0.050661   0.313806
-    1SOL     H6    6  -0.099156   0.067863   0.310447
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/053/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001518  -0.010148   0.095169
-    0SOL     H3    3   0.062639  -0.065798  -0.030154
-    1SOL     O4    4  -0.023543   0.247079  -0.092755
-    1SOL     H5    5  -0.023527   0.159284  -0.054618
-    1SOL     H6    6   0.050124   0.291495  -0.050770
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/054/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017844  -0.093644   0.008647
-    0SOL     H3    3   0.078117   0.014573   0.053363
-    1SOL     O4    4  -0.017351  -0.022722  -0.271071
-    1SOL     H5    5  -0.026879  -0.116426  -0.288136
-    1SOL     H6    6  -0.000688  -0.017036  -0.176985
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/055/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011214   0.022039   0.092471
-    0SOL     H3    3   0.075431   0.039784  -0.043472
-    1SOL     O4    4   0.007501  -0.253451  -0.113925
-    1SOL     H5    5  -0.079890  -0.292471  -0.112337
-    1SOL     H6    6  -0.002888  -0.169491  -0.069147
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/056/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063480  -0.059065   0.040544
-    0SOL     H3    3  -0.011187   0.082879   0.046565
-    1SOL     O4    4   0.001706  -0.005339  -0.284092
-    1SOL     H5    5  -0.008297  -0.008011  -0.188933
-    1SOL     H6    6   0.017789   0.086907  -0.303951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/057/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075262  -0.040336  -0.043255
-    0SOL     H3    3   0.076080  -0.042217  -0.039899
-    1SOL     O4    4   0.182493  -0.160036  -0.125042
-    1SOL     H5    5   0.197243  -0.177567  -0.217980
-    1SOL     H6    6   0.183656  -0.246428  -0.083844
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/058/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015361  -0.080742   0.049061
-    0SOL     H3    3   0.069775   0.059021   0.028465
-    1SOL     O4    4   0.032602  -0.228716   0.140612
-    1SOL     H5    5   0.111810  -0.281878   0.132720
-    1SOL     H6    6   0.016233  -0.223876   0.234798
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/059/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010419  -0.090124   0.030520
-    0SOL     H3    3   0.077714   0.045473   0.032482
-    1SOL     O4    4   0.208273   0.128710   0.074074
-    1SOL     H5    5   0.280965   0.078329   0.037469
-    1SOL     H6    6   0.206632   0.209368   0.022558
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/060/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006893  -0.018107  -0.093739
-    0SOL     H3    3  -0.067611  -0.054664   0.040037
-    1SOL     O4    4   0.246796  -0.100315   0.061475
-    1SOL     H5    5   0.172362  -0.050462   0.027762
-    1SOL     H6    6   0.323098  -0.061313   0.018823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/061/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008385   0.009530  -0.094875
-    0SOL     H3    3  -0.083991   0.030108   0.034660
-    1SOL     O4    4  -0.234025   0.111448   0.069502
-    1SOL     H5    5  -0.319119   0.084242   0.035133
-    1SOL     H6    6  -0.213768   0.192197   0.022263
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/062/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022310   0.028831  -0.088506
-    0SOL     H3    3   0.081918   0.045273   0.020053
-    1SOL     O4    4   0.184899   0.367377  -0.023377
-    1SOL     H5    5   0.181566   0.359667  -0.118728
-    1SOL     H6    6   0.178111   0.277284   0.008237
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/063/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008781   0.017180  -0.093755
-    0SOL     H3    3  -0.000347  -0.095465   0.006976
-    1SOL     O4    4   0.052214  -0.001354  -0.274427
-    1SOL     H5    5  -0.029101   0.040807  -0.302225
-    1SOL     H6    6   0.121488   0.053574  -0.311119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/064/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001979  -0.021126  -0.093339
-    0SOL     H3    3   0.074893  -0.048900   0.034091
-    1SOL     O4    4  -0.224441  -0.089820   0.113830
-    1SOL     H5    5  -0.296023  -0.043809   0.069997
-    1SOL     H6    6  -0.145063  -0.054655   0.073521
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/065/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010425  -0.005689   0.094980
-    0SOL     H3    3   0.080154   0.050847  -0.012343
-    1SOL     O4    4   0.241343   0.119527  -0.053460
-    1SOL     H5    5   0.255501   0.126892  -0.147840
-    1SOL     H6    6   0.325894   0.091219  -0.018646
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/066/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006179   0.017509  -0.093902
-    0SOL     H3    3   0.072258   0.055151   0.029992
-    1SOL     O4    4   0.201998   0.132678   0.119616
-    1SOL     H5    5   0.209914   0.142902   0.214458
-    1SOL     H6    6   0.265076   0.064158   0.097516
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/067/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015936  -0.003760   0.094309
-    0SOL     H3    3  -0.018778  -0.090526  -0.024794
-    1SOL     O4    4  -0.019945  -0.014257   0.257304
-    1SOL     H5    5  -0.089033   0.047963   0.280058
-    1SOL     H6    6  -0.046428  -0.096005   0.299474
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/068/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068761  -0.052346  -0.041160
-    0SOL     H3    3   0.081703  -0.039308  -0.030690
-    1SOL     O4    4   0.223810  -0.143224  -0.086452
-    1SOL     H5    5   0.213649  -0.151379  -0.181281
-    1SOL     H6    6   0.221906  -0.233353  -0.054273
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/069/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012102  -0.001185   0.094945
-    0SOL     H3    3  -0.085747   0.024442  -0.034819
-    1SOL     O4    4   0.205394   0.116994  -0.121148
-    1SOL     H5    5   0.129695   0.070898  -0.084994
-    1SOL     H6    6   0.209801   0.198633  -0.071368
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/070/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000086  -0.020460   0.093508
-    0SOL     H3    3   0.083757  -0.033530  -0.031981
-    1SOL     O4    4   0.235485  -0.112589  -0.113644
-    1SOL     H5    5   0.223805  -0.100978  -0.207937
-    1SOL     H6    6   0.319370  -0.070645  -0.094508
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/071/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070186   0.060309  -0.024475
-    0SOL     H3    3   0.080315   0.044216  -0.027508
-    1SOL     O4    4   0.044395  -0.252904  -0.088080
-    1SOL     H5    5  -0.027167  -0.314174  -0.071136
-    1SOL     H6    6   0.008822  -0.167284  -0.064287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/072/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073280   0.036124   0.049874
-    0SOL     H3    3  -0.011285  -0.094859   0.006065
-    1SOL     O4    4  -0.031083  -0.261409   0.076122
-    1SOL     H5    5  -0.036457  -0.261186   0.171691
-    1SOL     H6    6  -0.102183  -0.319104   0.048222
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/073/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087356   0.022347   0.032121
-    0SOL     H3    3  -0.006307   0.009201  -0.095068
-    1SOL     O4    4   0.017617  -0.277757   0.089039
-    1SOL     H5    5   0.026464  -0.259271   0.182539
-    1SOL     H6    6   0.022007  -0.191841   0.047068
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/074/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006994  -0.010649  -0.094868
-    0SOL     H3    3   0.094120   0.004893   0.016726
-    1SOL     O4    4   0.242238   0.081825   0.068050
-    1SOL     H5    5   0.328615   0.050566   0.041140
-    1SOL     H6    6   0.247381   0.087376   0.163471
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/075/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007904   0.008175  -0.095042
-    0SOL     H3    3   0.028067  -0.089561   0.018800
-    1SOL     O4    4  -0.175510   0.109048  -0.344540
-    1SOL     H5    5  -0.186188   0.111300  -0.439636
-    1SOL     H6    6  -0.201586   0.196412  -0.315387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/076/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088836   0.022116   0.027954
-    0SOL     H3    3   0.056582   0.055260   0.053918
-    1SOL     O4    4  -0.003700  -0.289392   0.061536
-    1SOL     H5    5  -0.094333  -0.314556   0.043792
-    1SOL     H6    6  -0.000417  -0.195839   0.041553
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/077/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009197   0.011393  -0.094593
-    0SOL     H3    3  -0.017972   0.086656   0.036469
-    1SOL     O4    4   0.233909  -0.118419   0.085648
-    1SOL     H5    5   0.148557  -0.100867   0.046035
-    1SOL     H6    6   0.245966  -0.212866   0.075812
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/078/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074834  -0.058344   0.012576
-    0SOL     H3    3  -0.029649   0.084623   0.033501
-    1SOL     O4    4   0.016692   0.284480   0.074921
-    1SOL     H5    5   0.023625   0.284744   0.170389
-    1SOL     H6    6   0.103470   0.311040   0.044484
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/079/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001309  -0.003957  -0.095629
-    0SOL     H3    3  -0.071360   0.059688   0.022528
-    1SOL     O4    4  -0.001641  -0.012909  -0.294855
-    1SOL     H5    5  -0.002235  -0.089218  -0.352638
-    1SOL     H6    6   0.080552   0.031818  -0.315012
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/080/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006322   0.000825  -0.095507
-    0SOL     H3    3   0.087623  -0.024617   0.029639
-    1SOL     O4    4  -0.023259   0.271610   0.083513
-    1SOL     H5    5   0.012376   0.276913   0.172194
-    1SOL     H6    6   0.001355   0.184307   0.052939
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/081/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001847  -0.090812  -0.030201
-    0SOL     H3    3   0.083829   0.033998  -0.031293
-    1SOL     O4    4  -0.022670  -0.249516  -0.082182
-    1SOL     H5    5  -0.022770  -0.271531  -0.175336
-    1SOL     H6    6  -0.083320  -0.312139  -0.042658
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/082/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009354  -0.086536  -0.039829
-    0SOL     H3    3  -0.079454   0.036068  -0.039350
-    1SOL     O4    4  -0.006538  -0.289193  -0.084161
-    1SOL     H5    5  -0.063430  -0.340755  -0.027005
-    1SOL     H6    6   0.081950  -0.306891  -0.052239
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/083/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078688  -0.043913  -0.032283
-    0SOL     H3    3  -0.009363   0.090639  -0.029312
-    1SOL     O4    4  -0.228961  -0.137942  -0.056767
-    1SOL     H5    5  -0.233178  -0.108604  -0.147782
-    1SOL     H6    6  -0.311826  -0.109206  -0.018426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/084/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013183  -0.087159   0.037307
-    0SOL     H3    3   0.084142   0.028785   0.035409
-    1SOL     O4    4   0.244662   0.090817   0.078808
-    1SOL     H5    5   0.325168   0.044452   0.055757
-    1SOL     H6    6   0.261771   0.181926   0.054959
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/085/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004124   0.020278   0.093456
-    0SOL     H3    3   0.081649  -0.046571  -0.018078
-    1SOL     O4    4  -0.034670   0.021443   0.268463
-    1SOL     H5    5  -0.110321  -0.027444   0.300856
-    1SOL     H6    6  -0.012445   0.081295   0.339780
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/086/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    1SOL     O4    4   0.015949   0.002761   0.300436
-    1SOL     H5    5  -0.050076  -0.054609   0.339315
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-    6
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-    1SOL     O4    4   0.002073  -0.030450   0.281799
-    1SOL     H5    5  -0.078149  -0.082562   0.285149
-    1SOL     H6    6  -0.016161   0.045276   0.337435
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-    6
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-    0SOL     H2    2  -0.001434  -0.085233  -0.043538
-    0SOL     H3    3   0.079447   0.042273  -0.032611
-    1SOL     O4    4  -0.006819   0.028140   0.287961
-    1SOL     H5    5  -0.020840   0.021761   0.193489
-    1SOL     H6    6  -0.094356   0.041298   0.324380
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005188  -0.013073   0.094681
-    0SOL     H3    3   0.060943   0.071657  -0.017708
-    1SOL     O4    4  -0.000307   0.018693   0.323024
-    1SOL     H5    5   0.030530  -0.062426   0.363410
-    1SOL     H6    6   0.068906   0.082305   0.341067
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014962  -0.000862   0.094539
-    0SOL     H3    3   0.004779  -0.092027  -0.025894
-    1SOL     O4    4  -0.237288   0.128711  -0.065230
-    1SOL     H5    5  -0.314414   0.086334  -0.027573
-    1SOL     H6    6  -0.166032   0.066590  -0.050198
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/092/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020030  -0.090600  -0.023510
-    0SOL     H3    3   0.084393   0.045006  -0.003829
-    1SOL     O4    4  -0.025149  -0.012989   0.258674
-    1SOL     H5    5  -0.036825  -0.015405   0.163699
-    1SOL     H6    6   0.059327   0.030194   0.271377
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.049459  -0.005928  -0.081737
-    0SOL     H3    3  -0.012311  -0.085257   0.041737
-    1SOL     O4    4   0.004381  -0.241858   0.129936
-    1SOL     H5    5   0.090211  -0.283146   0.120404
-    1SOL     H6    6  -0.016538  -0.251164   0.222877
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/094/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008613  -0.004739   0.095214
-    0SOL     H3    3   0.005888   0.093420  -0.020009
-    1SOL     O4    4   0.244804  -0.094288  -0.078676
-    1SOL     H5    5   0.160891  -0.052929  -0.058420
-    1SOL     H6    6   0.309482  -0.041588  -0.031753
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/095/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063141  -0.058152  -0.042354
-    0SOL     H3    3  -0.024636   0.087688  -0.029432
-    1SOL     O4    4   0.011903  -0.027113   0.267095
-    1SOL     H5    5   0.026970  -0.040482   0.173519
-    1SOL     H6    6   0.087368  -0.067848   0.309614
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/096/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009260  -0.002669  -0.095234
-    0SOL     H3    3  -0.010804  -0.090979   0.027722
-    1SOL     O4    4   0.006444  -0.274445   0.026371
-    1SOL     H5    5  -0.012504  -0.275162   0.120194
-    1SOL     H6    6  -0.072038  -0.311232  -0.014244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/097/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005958   0.003498  -0.095470
-    0SOL     H3    3  -0.016999   0.090448   0.026315
-    1SOL     O4    4  -0.010344   0.024110  -0.292468
-    1SOL     H5    5  -0.069388  -0.040359  -0.331453
-    1SOL     H6    6   0.077240  -0.005427  -0.317346
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/098/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073465   0.051052  -0.034043
-    0SOL     H3    3   0.077631   0.050289  -0.024633
-    1SOL     O4    4   0.010427  -0.029457  -0.443626
-    1SOL     H5    5   0.076694   0.028763  -0.406458
-    1SOL     H6    6   0.011738  -0.106585  -0.386953
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/099/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081473  -0.042635   0.026583
-    0SOL     H3    3   0.008766   0.090073   0.031181
-    1SOL     O4    4  -0.214775  -0.122905   0.120290
-    1SOL     H5    5  -0.199002  -0.210341   0.084674
-    1SOL     H6    6  -0.142057  -0.070094   0.087345
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/100/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000408   0.095316   0.008775
-    0SOL     H3    3   0.001121  -0.015399  -0.094467
-    1SOL     O4    4  -0.010294   0.268219   0.070942
-    1SOL     H5    5  -0.089297   0.321876   0.064480
-    1SOL     H6    6   0.006174   0.260976   0.164956
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/101/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074052  -0.042904   0.042870
-    0SOL     H3    3  -0.000933   0.088459   0.036557
-    1SOL     O4    4   0.038870  -0.002370  -0.273223
-    1SOL     H5    5   0.045162   0.002727  -0.177846
-    1SOL     H6    6   0.116460  -0.051729  -0.299789
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/102/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009362   0.011936  -0.094510
-    0SOL     H3    3  -0.076231   0.052932   0.023440
-    1SOL     O4    4   0.012979   0.010383  -0.273935
-    1SOL     H5    5   0.092041   0.049151  -0.311465
-    1SOL     H6    6   0.006595  -0.075766  -0.315164
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/103/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008340   0.001932  -0.095336
-    0SOL     H3    3  -0.030350   0.087761   0.023219
-    1SOL     O4    4  -0.048535   0.260785   0.084741
-    1SOL     H5    5  -0.070486   0.256152   0.177795
-    1SOL     H6    6  -0.110260   0.324431   0.048663
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/104/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013146  -0.013880  -0.093791
-    0SOL     H3    3   0.084524   0.044512   0.006058
-    1SOL     O4    4  -0.233242   0.119738   0.097350
-    1SOL     H5    5  -0.161346   0.074060   0.053684
-    1SOL     H6    6  -0.228423   0.209377   0.064122
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/105/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077115  -0.056693  -0.001205
-    0SOL     H3    3   0.022989   0.011211  -0.092240
-    1SOL     O4    4  -0.014559  -0.029408  -0.282332
-    1SOL     H5    5   0.061792  -0.075347  -0.317294
-    1SOL     H6    6  -0.089248  -0.082529  -0.309938
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/106/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078865  -0.050454   0.019928
-    0SOL     H3    3  -0.004469   0.015232  -0.094395
-    1SOL     O4    4   0.384262   0.008968  -0.032584
-    1SOL     H5    5   0.317780  -0.041305   0.014481
-    1SOL     H6    6   0.371056   0.099240  -0.003621
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.011943  -0.090975  -0.027263
-    1SOL     O4    4  -0.222013   0.128676  -0.101839
-    1SOL     H5    5  -0.294266   0.086616  -0.055227
-    1SOL     H6    6  -0.218529   0.217275  -0.065775
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000649  -0.084488  -0.044985
-    0SOL     H3    3   0.076697   0.045967  -0.034160
-    1SOL     O4    4  -0.025189  -0.240521  -0.111613
-    1SOL     H5    5  -0.036648  -0.241780  -0.206636
-    1SOL     H6    6  -0.108156  -0.273392  -0.076997
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077252  -0.044888   0.034346
-    0SOL     H3    3   0.073820  -0.042338   0.043822
-    1SOL     O4    4   0.022294   0.019836  -0.262050
-    1SOL     H5    5   0.050097   0.025928  -0.170660
-    1SOL     H6    6   0.015858   0.110754  -0.291288
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/110/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085239  -0.042663  -0.008746
-    0SOL     H3    3   0.060045  -0.056050  -0.049146
-    1SOL     O4    4   0.216008  -0.126476  -0.078278
-    1SOL     H5    5   0.298238  -0.087814  -0.048182
-    1SOL     H6    6   0.215045  -0.214000  -0.039538
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081102  -0.042069   0.028547
-    0SOL     H3    3  -0.004404   0.088182   0.036971
-    1SOL     O4    4  -0.213140  -0.122710   0.131012
-    1SOL     H5    5  -0.208307  -0.124756   0.226588
-    1SOL     H6    6  -0.205863  -0.214439   0.104647
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021114   0.028727   0.088833
-    0SOL     H3    3  -0.072787   0.031770  -0.053434
-    1SOL     O4    4   0.254699   0.073948  -0.098574
-    1SOL     H5    5   0.164963   0.062542  -0.067272
-    1SOL     H6    6   0.273408   0.166762  -0.084505
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/113/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032501   0.087132  -0.022671
-    0SOL     H3    3   0.070820  -0.059308  -0.025089
-    1SOL     O4    4  -0.019113   0.008314   0.271519
-    1SOL     H5    5   0.000474   0.005359   0.177872
-    1SOL     H6    6  -0.096598  -0.046977   0.281587
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001044   0.024150  -0.092617
-    0SOL     H3    3   0.083438   0.032177   0.034134
-    1SOL     O4    4  -0.033058  -0.254306   0.076348
-    1SOL     H5    5  -0.027255  -0.269430   0.170688
-    1SOL     H6    6  -0.000805  -0.164988   0.064334
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039432  -0.006932  -0.086945
-    0SOL     H3    3   0.054015  -0.056341   0.055411
-    1SOL     O4    4  -0.245479  -0.119191   0.084874
-    1SOL     H5    5  -0.326825  -0.081825   0.050978
-    1SOL     H6    6  -0.176894  -0.081118   0.030020
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012558  -0.002292  -0.094865
-    0SOL     H3    3  -0.009311  -0.091165   0.027650
-    1SOL     O4    4  -0.032632  -0.258615   0.087328
-    1SOL     H5    5  -0.106903  -0.304700   0.048310
-    1SOL     H6    6   0.042790  -0.314522   0.068670
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008455  -0.006205   0.095144
-    0SOL     H3    3  -0.072048   0.057024  -0.026828
-    1SOL     O4    4  -0.012812  -0.272595  -0.072081
-    1SOL     H5    5  -0.005686  -0.273343  -0.167533
-    1SOL     H6    6  -0.020432  -0.179935  -0.049311
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078604  -0.044913  -0.031090
-    0SOL     H3    3   0.001298  -0.012288   0.094919
-    1SOL     O4    4   0.213058  -0.113585  -0.098312
-    1SOL     H5    5   0.210237  -0.203811  -0.066476
-    1SOL     H6    6   0.297222  -0.079911  -0.067576
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011860  -0.011839   0.094242
-    0SOL     H3    3  -0.022115  -0.087256  -0.032554
-    1SOL     O4    4  -0.201492   0.160637  -0.090690
-    1SOL     H5    5  -0.277730   0.116031  -0.053807
-    1SOL     H6    6  -0.126386   0.112784  -0.055599
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080949   0.047794   0.018036
-    0SOL     H3    3   0.069327   0.056452   0.034195
-    1SOL     O4    4   0.031168  -0.271897   0.116265
-    1SOL     H5    5  -0.058047  -0.304409   0.104185
-    1SOL     H6    6   0.037726  -0.197152   0.056830
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009236  -0.017867  -0.093583
-    0SOL     H3    3  -0.076694  -0.041040   0.039951
-    1SOL     O4    4  -0.206656  -0.126684   0.151605
-    1SOL     H5    5  -0.284834  -0.080852   0.120785
-    1SOL     H6    6  -0.212061  -0.213251   0.111119
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011428   0.017657  -0.093381
-    0SOL     H3    3   0.022429   0.084977   0.037923
-    1SOL     O4    4   0.029746   0.255409   0.035452
-    1SOL     H5    5   0.034408   0.243847   0.130357
-    1SOL     H6    6   0.107882   0.306196   0.013595
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/123/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007575   0.005112  -0.095283
-    0SOL     H3    3   0.090349   0.003117   0.031458
-    1SOL     O4    4  -0.014265   0.004972  -0.259999
-    1SOL     H5    5   0.068075  -0.029746  -0.294307
-    1SOL     H6    6  -0.014651   0.096827  -0.286922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/124/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088674  -0.029033   0.021360
-    0SOL     H3    3   0.057110  -0.063432   0.043326
-    1SOL     O4    4   0.218840   0.396948   0.026312
-    1SOL     H5    5   0.214194   0.484419   0.064906
-    1SOL     H6    6   0.135940   0.355630   0.050454
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/125/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084792  -0.015310  -0.041693
-    0SOL     H3    3   0.063003  -0.044470  -0.056704
-    1SOL     O4    4  -0.223447  -0.111122  -0.122282
-    1SOL     H5    5  -0.217657  -0.122958  -0.217090
-    1SOL     H6    6  -0.219266  -0.199891  -0.086715
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/126/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018603   0.002241  -0.093868
-    0SOL     H3    3  -0.008203  -0.092326   0.023894
-    1SOL     O4    4  -0.018759  -0.241941   0.119083
-    1SOL     H5    5  -0.090174  -0.287320   0.074329
-    1SOL     H6    6   0.060257  -0.288282   0.091313
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/127/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073682  -0.040895  -0.045397
-    0SOL     H3    3  -0.004433   0.092217  -0.025273
-    1SOL     O4    4   0.002442  -0.005233   0.265218
-    1SOL     H5    5   0.005679  -0.018739   0.170511
-    1SOL     H6    6  -0.006153   0.089526   0.275665
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/128/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016511   0.019224  -0.092305
-    0SOL     H3    3   0.059271   0.058165   0.047603
-    1SOL     O4    4  -0.019083  -0.267429   0.086116
-    1SOL     H5    5   0.070912  -0.299545   0.080475
-    1SOL     H6    6  -0.015592  -0.179502   0.048448
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/129/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007440   0.004165  -0.095339
-    0SOL     H3    3  -0.082287  -0.039528   0.028789
-    1SOL     O4    4   0.238346  -0.115640   0.089757
-    1SOL     H5    5   0.156475  -0.077954   0.057519
-    1SOL     H6    6   0.305782  -0.053423   0.062485
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/130/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010408  -0.038405  -0.087058
-    0SOL     H3    3   0.074750  -0.046273   0.037863
-    1SOL     O4    4  -0.050529  -0.022789  -0.291538
-    1SOL     H5    5  -0.138961  -0.056960  -0.304748
-    1SOL     H6    6  -0.052945   0.065215  -0.329112
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/131/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015015  -0.006103  -0.094338
-    0SOL     H3    3   0.000177   0.093954   0.018300
-    1SOL     O4    4  -0.014791   0.254913   0.076777
-    1SOL     H5    5  -0.020725   0.252140   0.172272
-    1SOL     H6    6  -0.078134   0.321782   0.050728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/132/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016137  -0.016004  -0.092983
-    0SOL     H3    3   0.077439   0.047630   0.029947
-    1SOL     O4    4  -0.010522  -0.311855   0.055077
-    1SOL     H5    5  -0.036869  -0.232390   0.008671
-    1SOL     H6    6  -0.079225  -0.375359   0.034841
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/133/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001605  -0.088040   0.037534
-    0SOL     H3    3   0.069260   0.045325   0.048073
-    1SOL     O4    4   0.014217  -0.267095   0.076484
-    1SOL     H5    5   0.038227  -0.255350   0.168396
-    1SOL     H6    6  -0.050435  -0.337675   0.077400
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/134/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083744   0.040108   0.023250
-    0SOL     H3    3   0.064606   0.047125   0.052608
-    1SOL     O4    4   0.000992  -0.270776   0.043675
-    1SOL     H5    5   0.016593  -0.267694   0.138065
-    1SOL     H6    6  -0.000661  -0.178976   0.016614
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/135/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012700  -0.002561  -0.094839
-    0SOL     H3    3   0.081358   0.048981   0.012004
-    1SOL     O4    4  -0.019351  -0.253890   0.147674
-    1SOL     H5    5  -0.102747  -0.289977   0.117588
-    1SOL     H6    6  -0.012353  -0.169382   0.103267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/136/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006342  -0.009599  -0.095026
-    0SOL     H3    3   0.076357  -0.052329   0.024363
-    1SOL     O4    4   0.001025   0.260591   0.123760
-    1SOL     H5    5  -0.077570   0.294641   0.081031
-    1SOL     H6    6  -0.002654   0.166090   0.108981
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/137/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003803   0.006941   0.095392
-    0SOL     H3    3   0.084285   0.034104  -0.029923
-    1SOL     O4    4   0.001477  -0.248262  -0.122986
-    1SOL     H5    5  -0.083026  -0.286511  -0.099351
-    1SOL     H6    6   0.002099  -0.162864  -0.079753
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/138/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018867  -0.090418   0.025117
-    0SOL     H3    3   0.009152   0.000848  -0.095278
-    1SOL     O4    4   0.216051   0.386314  -0.037115
-    1SOL     H5    5   0.304671   0.421642  -0.044907
-    1SOL     H6    6   0.227454   0.302618   0.007911
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/139/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004136   0.006464   0.095412
-    0SOL     H3    3   0.077157  -0.051341  -0.023942
-    1SOL     O4    4   0.028350   0.014512   0.264763
-    1SOL     H5    5   0.109109  -0.019515   0.303266
-    1SOL     H6    6   0.029325   0.107928   0.285613
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/140/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016707   0.016706  -0.092758
-    0SOL     H3    3  -0.021514   0.085892   0.036360
-    1SOL     O4    4   0.223631  -0.138548   0.103570
-    1SOL     H5    5   0.157763  -0.085249   0.059040
-    1SOL     H6    6   0.204824  -0.127066   0.196719
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/141/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.027908   0.016937  -0.089981
-    0SOL     H3    3   0.016467  -0.094255   0.002680
-    1SOL     O4    4   0.010597  -0.262008   0.039644
-    1SOL     H5    5   0.019506  -0.301177   0.126528
-    1SOL     H6    6   0.082328  -0.299841  -0.011205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/142/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073235   0.050209  -0.035750
-    0SOL     H3    3   0.075716   0.057743  -0.009753
-    1SOL     O4    4   0.203223   0.129699  -0.069019
-    1SOL     H5    5   0.210932   0.140123  -0.163857
-    1SOL     H6    6   0.225532   0.215750  -0.033525
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/143/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018947   0.020833   0.091484
-    0SOL     H3    3  -0.077287  -0.047682  -0.030258
-    1SOL     O4    4   0.021730   0.022934   0.273902
-    1SOL     H5    5  -0.057828  -0.019277   0.306323
-    1SOL     H6    6   0.006092   0.116521   0.286521
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/144/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022374   0.013071   0.092146
-    0SOL     H3    3   0.079228   0.024742  -0.047677
-    1SOL     O4    4   0.020143  -0.269381  -0.079600
-    1SOL     H5    5  -0.010636  -0.184359  -0.048194
-    1SOL     H6    6  -0.057219  -0.325649  -0.076232
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/145/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005661  -0.004738  -0.095435
-    0SOL     H3    3  -0.009006   0.093177   0.019979
-    1SOL     O4    4  -0.265652  -0.130567   0.055901
-    1SOL     H5    5  -0.343959  -0.094501   0.014312
-    1SOL     H6    6  -0.198864  -0.063052   0.043932
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/146/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001352  -0.092025   0.026303
-    0SOL     H3    3   0.082157   0.033911   0.035533
-    1SOL     O4    4  -0.253429   0.103647   0.088188
-    1SOL     H5    5  -0.170514   0.074480   0.050285
-    1SOL     H6    6  -0.263228   0.193916   0.057892
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/147/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076088   0.051866  -0.026132
-    0SOL     H3    3   0.075287   0.053610  -0.024902
-    1SOL     O4    4   0.256380   0.124707  -0.090921
-    1SOL     H5    5   0.241713   0.125014  -0.185510
-    1SOL     H6    6   0.248393   0.216531  -0.065098
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/148/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007018  -0.019372   0.093476
-    0SOL     H3    3   0.079740   0.048848  -0.020439
-    1SOL     O4    4  -0.007062  -0.254542  -0.084430
-    1SOL     H5    5   0.086659  -0.263018  -0.066911
-    1SOL     H6    6  -0.031307  -0.170638  -0.045254
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/149/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089639   0.030400  -0.014246
-    0SOL     H3    3   0.019002   0.023080   0.090931
-    1SOL     O4    4   0.034475   0.037931   0.266072
-    1SOL     H5    5   0.027212  -0.052566   0.296403
-    1SOL     H6    6   0.119455   0.067453   0.298770
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/150/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012412   0.007640   0.094604
-    0SOL     H3    3   0.082824  -0.035503  -0.032282
-    1SOL     O4    4   0.006909   0.270447  -0.073485
-    1SOL     H5    5  -0.066536   0.329375  -0.056290
-    1SOL     H6    6  -0.015331   0.190048  -0.026542
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/151/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000458  -0.019027   0.093809
-    0SOL     H3    3  -0.018593   0.093742  -0.005383
-    1SOL     O4    4  -0.208322  -0.138771  -0.103484
-    1SOL     H5    5  -0.200917  -0.145246  -0.198697
-    1SOL     H6    6  -0.140959  -0.075555  -0.078418
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/152/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082235   0.042521  -0.024325
-    0SOL     H3    3   0.067936   0.055249  -0.038659
-    1SOL     O4    4   0.205677   0.149362  -0.095603
-    1SOL     H5    5   0.190922   0.149476  -0.190179
-    1SOL     H6    6   0.209667   0.241995  -0.071825
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/153/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012226   0.023780  -0.091909
-    0SOL     H3    3   0.072724  -0.059149   0.019363
-    1SOL     O4    4   0.015922   0.041200  -0.298827
-    1SOL     H5    5  -0.057780  -0.018576  -0.311367
-    1SOL     H6    6   0.090011  -0.003027  -0.340264
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/154/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080834   0.043793   0.026653
-    0SOL     H3    3   0.007368  -0.088216   0.036414
-    1SOL     O4    4  -0.000987  -0.241423   0.093111
-    1SOL     H5    5  -0.066899  -0.308358   0.074738
-    1SOL     H6    6   0.081861  -0.289313   0.095396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/155/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017504   0.006765   0.093863
-    0SOL     H3    3   0.024631   0.085525  -0.035231
-    1SOL     O4    4   0.049070   0.246787  -0.108809
-    1SOL     H5    5  -0.028017   0.292410  -0.075067
-    1SOL     H6    6   0.120087   0.310455  -0.100726
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/156/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082985  -0.039094   0.027340
-    0SOL     H3    3  -0.000767   0.087509   0.038781
-    1SOL     O4    4   0.421238   0.037058  -0.026221
-    1SOL     H5    5   0.361877  -0.012353   0.030323
-    1SOL     H6    6   0.431883   0.121307   0.017951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/157/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010878  -0.017051  -0.093559
-    0SOL     H3    3  -0.084802   0.034323   0.028158
-    1SOL     O4    4   0.219953   0.107437   0.111737
-    1SOL     H5    5   0.146011   0.063729   0.069494
-    1SOL     H6    6   0.297188   0.062496   0.077424
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/158/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077804   0.048855  -0.026870
-    0SOL     H3    3  -0.012948  -0.087612  -0.036315
-    1SOL     O4    4  -0.030640  -0.252838  -0.130236
-    1SOL     H5    5  -0.028217  -0.238903  -0.224906
-    1SOL     H6    6  -0.100654  -0.316789  -0.117176
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/159/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070827   0.053437  -0.035921
-    0SOL     H3    3   0.079227   0.051289  -0.015966
-    1SOL     O4    4  -0.207161   0.111247  -0.124332
-    1SOL     H5    5  -0.202502   0.112359  -0.219933
-    1SOL     H6    6  -0.282687   0.055841  -0.104628
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069822   0.060901  -0.024047
-    0SOL     H3    3   0.080842   0.046210  -0.022171
-    1SOL     O4    4   0.003645   0.027763   0.295977
-    1SOL     H5    5  -0.002194   0.014826   0.201315
-    1SOL     H6    6   0.031244  -0.057277   0.330164
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017365  -0.011600  -0.093414
-    0SOL     H3    3  -0.076900  -0.036873   0.043465
-    1SOL     O4    4  -0.024425  -0.034289  -0.283497
-    1SOL     H5    5  -0.090791  -0.086999  -0.327988
-    1SOL     H6    6   0.058978  -0.069117  -0.315014
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009621  -0.001715   0.095220
-    0SOL     H3    3  -0.010057  -0.091912  -0.024764
-    1SOL     O4    4  -0.029008  -0.235894  -0.103531
-    1SOL     H5    5   0.005972  -0.224587  -0.191911
-    1SOL     H6    6   0.038529  -0.285380  -0.057140
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/163/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.019503  -0.001499   0.093700
-    0SOL     H3    3  -0.072957  -0.046939  -0.040453
-    1SOL     O4    4   0.221257  -0.109775  -0.061637
-    1SOL     H5    5   0.246868  -0.100412  -0.153391
-    1SOL     H6    6   0.143832  -0.054231  -0.052545
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/164/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.034404   0.015630  -0.087945
-    0SOL     H3    3  -0.069165  -0.049000   0.044469
-    1SOL     O4    4  -0.217078  -0.157774   0.079248
-    1SOL     H5    5  -0.305990  -0.124566   0.066824
-    1SOL     H6    6  -0.224077  -0.251820   0.062860
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/165/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018869  -0.010359  -0.093268
-    0SOL     H3    3   0.015206  -0.086811   0.037348
-    1SOL     O4    4   0.033656  -0.000090  -0.251990
-    1SOL     H5    5  -0.041671   0.050904  -0.281786
-    1SOL     H6    6   0.109659   0.047926  -0.284861
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/166/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039861   0.017352   0.085278
-    0SOL     H3    3   0.048282   0.055900  -0.060880
-    1SOL     O4    4   0.208529   0.140167  -0.118406
-    1SOL     H5    5   0.222518   0.138072  -0.213076
-    1SOL     H6    6   0.224249   0.231334  -0.093836
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/167/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075532  -0.055552  -0.019267
-    0SOL     H3    3   0.075516  -0.058062  -0.009407
-    1SOL     O4    4  -0.207233  -0.360743  -0.003279
-    1SOL     H5    5  -0.293558  -0.396526  -0.024013
-    1SOL     H6    6  -0.145701  -0.427780  -0.032982
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/168/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083548  -0.027632   0.037663
-    0SOL     H3    3  -0.008552   0.091893   0.025396
-    1SOL     O4    4   0.021408   0.247367   0.085291
-    1SOL     H5    5   0.012679   0.257994   0.180018
-    1SOL     H6    6  -0.054043   0.293676   0.048893
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/169/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084626  -0.035889   0.026698
-    0SOL     H3    3   0.064419  -0.060336   0.037043
-    1SOL     O4    4  -0.036442  -0.005260  -0.273985
-    1SOL     H5    5  -0.020701  -0.002884  -0.179598
-    1SOL     H6    6  -0.112000  -0.063119  -0.284265
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/170/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010632  -0.080375  -0.050883
-    0SOL     H3    3  -0.029501  -0.023254   0.088041
-    1SOL     O4    4  -0.004375  -0.015828   0.264778
-    1SOL     H5    5  -0.077729   0.039115   0.292396
-    1SOL     H6    6  -0.002233  -0.086958   0.328795
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/171/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000282  -0.027953  -0.091547
-    0SOL     H3    3  -0.084943   0.042340   0.012426
-    1SOL     O4    4   0.225460   0.116479   0.120091
-    1SOL     H5    5   0.217376   0.102024   0.214367
-    1SOL     H6    6   0.141185   0.088657   0.084232
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/172/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073427   0.051515  -0.033421
-    0SOL     H3    3  -0.007822  -0.084486  -0.044308
-    1SOL     O4    4   0.031127  -0.006528   0.297607
-    1SOL     H5    5   0.018880  -0.020889   0.203766
-    1SOL     H6    6   0.103577   0.055788   0.303094
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/173/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068062   0.055370  -0.038263
-    0SOL     H3    3   0.082218   0.040076  -0.028220
-    1SOL     O4    4  -0.203336   0.143931  -0.080263
-    1SOL     H5    5  -0.206393   0.140866  -0.175885
-    1SOL     H6    6  -0.286003   0.104580  -0.052335
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/174/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005067  -0.093918  -0.017778
-    0SOL     H3    3   0.083119   0.027323  -0.038819
-    1SOL     O4    4   0.017615  -0.256148  -0.094518
-    1SOL     H5    5  -0.020421  -0.265940  -0.181808
-    1SOL     H6    6   0.099384  -0.305768  -0.098266
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/175/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010211  -0.005591   0.095009
-    0SOL     H3    3  -0.071325   0.057130  -0.028481
-    1SOL     O4    4   0.269140   0.110029  -0.085587
-    1SOL     H5    5   0.184432   0.068785  -0.068683
-    1SOL     H6    6   0.259492   0.199222  -0.052212
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/176/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074720   0.048402  -0.035164
-    0SOL     H3    3   0.076606   0.044224  -0.036581
-    1SOL     O4    4   0.003215  -0.282182  -0.081438
-    1SOL     H5    5   0.085373  -0.324914  -0.057222
-    1SOL     H6    6   0.004658  -0.198912  -0.034254
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/177/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002450   0.011740  -0.094966
-    0SOL     H3    3   0.007628   0.088777   0.034968
-    1SOL     O4    4   0.021538   0.258130   0.062992
-    1SOL     H5    5  -0.063949   0.300249   0.054031
-    1SOL     H6    6   0.084067   0.324139   0.033072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/178/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079178   0.025974  -0.047102
-    0SOL     H3    3   0.017874  -0.089002  -0.030355
-    1SOL     O4    4  -0.225363   0.121113  -0.078257
-    1SOL     H5    5  -0.236306   0.102619  -0.171534
-    1SOL     H6    6  -0.295334   0.071637  -0.035611
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/179/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024463  -0.088323  -0.027621
-    0SOL     H3    3   0.084430   0.015830  -0.042229
-    1SOL     O4    4  -0.016781   0.028795   0.265409
-    1SOL     H5    5  -0.020309   0.021391   0.170041
-    1SOL     H6    6  -0.095484   0.078102   0.288580
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/180/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084302   0.040267   0.020836
-    0SOL     H3    3  -0.008391  -0.090365   0.030433
-    1SOL     O4    4   0.000009  -0.263435   0.087298
-    1SOL     H5    5   0.006315  -0.256639   0.182568
-    1SOL     H6    6   0.086808  -0.292712   0.059529
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/181/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003518  -0.007843  -0.095333
-    0SOL     H3    3   0.019062   0.092210   0.017214
-    1SOL     O4    4   0.067552   0.264302   0.056675
-    1SOL     H5    5   0.070138   0.268864   0.152251
-    1SOL     H6    6   0.151036   0.301775   0.028593
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/182/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003224  -0.011473   0.094975
-    0SOL     H3    3   0.083949   0.043064  -0.016135
-    1SOL     O4    4   0.040053  -0.002781   0.283906
-    1SOL     H5    5  -0.036190   0.041126   0.321608
-    1SOL     H6    6   0.029409  -0.094680   0.308475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/183/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053865  -0.003004   0.079069
-    0SOL     H3    3  -0.080842  -0.045123   0.024306
-    1SOL     O4    4   0.003816  -0.022487   0.273429
-    1SOL     H5    5   0.083196  -0.059220   0.312312
-    1SOL     H6    6  -0.004095   0.064469   0.312650
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/184/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008314  -0.091331  -0.027421
-    0SOL     H3    3   0.063531   0.047120  -0.053906
-    1SOL     O4    4  -0.029186   0.034534   0.269786
-    1SOL     H5    5  -0.017129   0.023230   0.175503
-    1SOL     H6    6   0.044572   0.089118   0.297038
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/185/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071101   0.049507  -0.040694
-    0SOL     H3    3  -0.006762  -0.087508  -0.038197
-    1SOL     O4    4  -0.225796   0.111510  -0.129430
-    1SOL     H5    5  -0.219737   0.205287  -0.111225
-    1SOL     H6    6  -0.306640   0.083860  -0.086280
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/186/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013263   0.029341  -0.090142
-    0SOL     H3    3   0.005529  -0.095441  -0.004769
-    1SOL     O4    4   0.028332   0.055103  -0.266773
-    1SOL     H5    5  -0.044755   0.113874  -0.285922
-    1SOL     H6    6   0.104695   0.098633  -0.304669
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/187/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087759  -0.033634   0.018149
-    0SOL     H3    3   0.008634  -0.005583  -0.095166
-    1SOL     O4    4  -0.001005  -0.015268  -0.279865
-    1SOL     H5    5   0.079259  -0.045348  -0.322470
-    1SOL     H6    6  -0.071581  -0.049659  -0.334624
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/188/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081420  -0.042834   0.026428
-    0SOL     H3    3  -0.000195   0.082843   0.047951
-    1SOL     O4    4   0.022382   0.019060  -0.278830
-    1SOL     H5    5   0.013796   0.030044  -0.184130
-    1SOL     H6    6  -0.052368  -0.035380  -0.303549
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/189/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.062278  -0.068355  -0.024724
-    0SOL     H3    3   0.085980  -0.039815  -0.013588
-    1SOL     O4    4   0.014312  -0.039643   0.298655
-    1SOL     H5    5   0.011692  -0.021361   0.204733
-    1SOL     H6    6   0.093609  -0.091877   0.310734
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/190/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012569  -0.083443  -0.045184
-    0SOL     H3    3   0.061231   0.059892  -0.042732
-    1SOL     O4    4   0.197792   0.135494  -0.143045
-    1SOL     H5    5   0.187595   0.108858  -0.234418
-    1SOL     H6    6   0.291347   0.125509  -0.125435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/191/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004791   0.003041  -0.095552
-    0SOL     H3    3  -0.083797   0.041148   0.021149
-    1SOL     O4    4   0.465607  -0.014824  -0.022285
-    1SOL     H5    5   0.486364  -0.029367  -0.114589
-    1SOL     H6    6   0.549114   0.009791   0.017502
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071822   0.055266  -0.030816
-    0SOL     H3    3   0.078918   0.041752  -0.034511
-    1SOL     O4    4  -0.228409   0.151607  -0.065962
-    1SOL     H5    5  -0.306671   0.120932  -0.020176
-    1SOL     H6    6  -0.222954   0.244714  -0.044430
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064591  -0.069944   0.009907
-    0SOL     H3    3  -0.042621   0.077412   0.036784
-    1SOL     O4    4  -0.214700  -0.159788   0.079037
-    1SOL     H5    5  -0.203087  -0.158647   0.174043
-    1SOL     H6    6  -0.221843  -0.252626   0.056846
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/194/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052600  -0.059886   0.053002
-    0SOL     H3    3   0.083440  -0.045391  -0.011820
-    1SOL     O4    4   0.059693   0.224420   0.122083
-    1SOL     H5    5   0.042531   0.148736   0.066049
-    1SOL     H6    6   0.132857   0.269440   0.079863
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/195/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013941  -0.092404   0.020725
-    0SOL     H3    3   0.084287   0.041623   0.018041
-    1SOL     O4    4   0.004530  -0.265764   0.076542
-    1SOL     H5    5   0.033990  -0.278689   0.166694
-    1SOL     H6    6   0.071994  -0.307558   0.023024
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001424  -0.011621  -0.095001
-    0SOL     H3    3   0.075219  -0.051414   0.029342
-    1SOL     O4    4   0.192480  -0.164753   0.118748
-    1SOL     H5    5   0.178736  -0.247319   0.072313
-    1SOL     H6    6   0.283417  -0.141510   0.099972
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/197/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077415  -0.054043  -0.015765
-    0SOL     H3    3   0.023683   0.086323  -0.033909
-    1SOL     O4    4   0.004404   0.265176  -0.118647
-    1SOL     H5    5   0.089064   0.302881  -0.094701
-    1SOL     H6    6  -0.059988   0.327668  -0.085320
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/198/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002121   0.007463  -0.095405
-    0SOL     H3    3  -0.013824  -0.093273   0.016474
-    1SOL     O4    4   0.209052  -0.377017   0.012347
-    1SOL     H5    5   0.206600  -0.470920   0.030751
-    1SOL     H6    6   0.296617  -0.349515   0.039518
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/199/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011801   0.002619   0.094954
-    0SOL     H3    3   0.000087   0.091916  -0.026717
-    1SOL     O4    4  -0.225993  -0.118201  -0.111622
-    1SOL     H5    5  -0.230290  -0.121545  -0.207187
-    1SOL     H6    6  -0.141844  -0.076633  -0.092823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/200/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073885   0.049960  -0.034745
-    0SOL     H3    3  -0.012772  -0.088545  -0.034044
-    1SOL     O4    4  -0.001798   0.010748   0.266660
-    1SOL     H5    5   0.007445   0.016151   0.171540
-    1SOL     H6    6   0.066741   0.068225   0.300735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/201/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003846  -0.024631  -0.092417
-    0SOL     H3    3   0.082170  -0.037677   0.031479
-    1SOL     O4    4  -0.012690  -0.018028  -0.275747
-    1SOL     H5    5  -0.095020  -0.063023  -0.294711
-    1SOL     H6    6   0.054357  -0.072002  -0.317625
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/202/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018715  -0.085389   0.038998
-    0SOL     H3    3  -0.075576   0.054012   0.023091
-    1SOL     O4    4   0.225084   0.118992   0.131125
-    1SOL     H5    5   0.145094   0.075172   0.102078
-    1SOL     H6    6   0.294923   0.077474   0.080517
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/203/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092430  -0.019045   0.016006
-    0SOL     H3    3  -0.010843   0.091058   0.027444
-    1SOL     O4    4   0.026798   0.309302   0.086403
-    1SOL     H5    5   0.045351   0.321997   0.179446
-    1SOL     H6    6   0.104479   0.342842   0.041647
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/204/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079050   0.034237   0.041729
-    0SOL     H3    3   0.015527  -0.083966   0.043255
-    1SOL     O4    4   0.204820   0.172982   0.091021
-    1SOL     H5    5   0.131524   0.115029   0.070249
-    1SOL     H6    6   0.282244   0.125565   0.060701
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/205/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000588   0.001860   0.095700
-    0SOL     H3    3   0.077074   0.050730  -0.025464
-    1SOL     O4    4  -0.010729  -0.256441  -0.093264
-    1SOL     H5    5  -0.085252  -0.312176  -0.070853
-    1SOL     H6    6  -0.026794  -0.174752  -0.046030
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/206/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008256   0.003775   0.095289
-    0SOL     H3    3  -0.008457   0.091004  -0.028445
-    1SOL     O4    4  -0.016016   0.276837  -0.060939
-    1SOL     H5    5  -0.024505   0.289916  -0.155381
-    1SOL     H6    6   0.063330   0.324781  -0.037108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/207/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007948   0.003930  -0.095308
-    0SOL     H3    3  -0.015918   0.089779   0.029132
-    1SOL     O4    4   0.004094   0.021168  -0.271992
-    1SOL     H5    5   0.087727  -0.001524  -0.312648
-    1SOL     H6    6  -0.013576   0.110441  -0.301665
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/208/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018550  -0.021148   0.091493
-    0SOL     H3    3  -0.079305  -0.025585  -0.047100
-    1SOL     O4    4  -0.015747   0.004764   0.273339
-    1SOL     H5    5  -0.100501  -0.037903   0.285927
-    1SOL     H6    6   0.048220  -0.059270   0.304488
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/209/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011054   0.027502  -0.091015
-    0SOL     H3    3   0.081029   0.042431   0.028219
-    1SOL     O4    4  -0.233908   0.073437   0.146189
-    1SOL     H5    5  -0.160347   0.036892   0.097042
-    1SOL     H6    6  -0.241036   0.163701   0.115142
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/210/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077004   0.035496  -0.044416
-    0SOL     H3    3   0.008588  -0.088963  -0.034267
-    1SOL     O4    4   0.216988   0.144785  -0.101544
-    1SOL     H5    5   0.140104   0.101852  -0.064021
-    1SOL     H6    6   0.290020   0.087125  -0.079096
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/211/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009932   0.010320   0.094642
-    0SOL     H3    3  -0.038283   0.079563  -0.036965
-    1SOL     O4    4   0.210669  -0.139924  -0.077489
-    1SOL     H5    5   0.126363  -0.107065  -0.046261
-    1SOL     H6    6   0.224262  -0.221215  -0.028814
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/212/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083570   0.037312   0.028039
-    0SOL     H3    3  -0.002239  -0.090326   0.031599
-    1SOL     O4    4   0.410275  -0.016278  -0.018393
-    1SOL     H5    5   0.421160  -0.020723  -0.113388
-    1SOL     H6    6   0.474334   0.048899   0.010080
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/213/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085293  -0.040537  -0.015630
-    0SOL     H3    3   0.013436  -0.008013   0.094433
-    1SOL     O4    4   0.030883   0.257426  -0.082968
-    1SOL     H5    5  -0.041764   0.298397  -0.035998
-    1SOL     H6    6   0.036978   0.169462  -0.045719
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/214/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006158   0.006766   0.095282
-    0SOL     H3    3  -0.077738  -0.053721  -0.015270
-    1SOL     O4    4  -0.195829  -0.166248  -0.079715
-    1SOL     H5    5  -0.275364  -0.128736  -0.041909
-    1SOL     H6    6  -0.198329  -0.258478  -0.054227
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/215/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072404  -0.045211  -0.043313
-    0SOL     H3    3  -0.005029   0.084876  -0.043966
-    1SOL     O4    4  -0.045899   0.256612  -0.066132
-    1SOL     H5    5  -0.120285   0.306397  -0.032214
-    1SOL     H6    6   0.030539   0.296092  -0.024170
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/216/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007849   0.005876  -0.095217
-    0SOL     H3    3  -0.086162  -0.029561   0.029404
-    1SOL     O4    4   0.175621  -0.119689   0.307769
-    1SOL     H5    5   0.177650  -0.136983   0.213646
-    1SOL     H6    6   0.096032  -0.068183   0.320995
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/217/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024057   0.018250   0.090832
-    0SOL     H3    3   0.027974   0.084633  -0.034886
-    1SOL     O4    4  -0.247651  -0.089906  -0.107700
-    1SOL     H5    5  -0.317894  -0.046901  -0.058927
-    1SOL     H6    6  -0.167687  -0.046604  -0.077814
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/218/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067683  -0.037550  -0.056314
-    0SOL     H3    3  -0.028707   0.078751  -0.046222
-    1SOL     O4    4   0.196755  -0.140413  -0.156192
-    1SOL     H5    5   0.187051  -0.218717  -0.102001
-    1SOL     H6    6   0.272670  -0.095097  -0.119508
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/219/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073245  -0.057558  -0.022013
-    0SOL     H3    3   0.017205   0.080491  -0.048861
-    1SOL     O4    4   0.046523  -0.042517   0.266783
-    1SOL     H5    5   0.025700  -0.050542   0.173700
-    1SOL     H6    6   0.045013   0.051688   0.283678
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/220/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000595   0.023746   0.092726
-    0SOL     H3    3   0.083422  -0.044855  -0.013822
-    1SOL     O4    4  -0.242652  -0.082714  -0.088627
-    1SOL     H5    5  -0.250648  -0.054998  -0.179898
-    1SOL     H6    6  -0.158416  -0.047326  -0.060092
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/221/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087295  -0.023726  -0.031289
-    0SOL     H3    3   0.002218   0.095551  -0.005228
-    1SOL     O4    4   0.007759   0.047388   0.259121
-    1SOL     H5    5  -0.010285   0.012080   0.172000
-    1SOL     H6    6   0.076173  -0.009520   0.294383
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/222/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012810  -0.092406  -0.021434
-    0SOL     H3    3   0.088355   0.019810  -0.031037
-    1SOL     O4    4  -0.211383   0.154382  -0.087230
-    1SOL     H5    5  -0.232248   0.154789  -0.180647
-    1SOL     H6    6  -0.134964   0.097201  -0.079957
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/223/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078003   0.048393  -0.027131
-    0SOL     H3    3   0.073205   0.055783  -0.026298
-    1SOL     O4    4   0.209452   0.145400  -0.123673
-    1SOL     H5    5   0.214896   0.142415  -0.219192
-    1SOL     H6    6   0.202696   0.238599  -0.102922
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/224/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006113  -0.007710  -0.095213
-    0SOL     H3    3   0.075733  -0.048414   0.032909
-    1SOL     O4    4  -0.026504   0.248875   0.329106
-    1SOL     H5    5  -0.015526   0.264001   0.235228
-    1SOL     H6    6   0.040435   0.303568   0.370216
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/225/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011543  -0.004661  -0.094907
-    0SOL     H3    3  -0.083098   0.034543   0.032615
-    1SOL     O4    4   0.230737   0.147069   0.099053
-    1SOL     H5    5   0.228331   0.235115   0.061577
-    1SOL     H6    6   0.158088   0.101087   0.056981
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/226/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008895  -0.002647  -0.095269
-    0SOL     H3    3   0.078037  -0.052329   0.018280
-    1SOL     O4    4  -0.021332   0.260289   0.094531
-    1SOL     H5    5   0.007771   0.176125   0.059435
-    1SOL     H6    6   0.049397   0.321055   0.072912
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/227/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077879  -0.054576   0.010893
-    0SOL     H3    3   0.070124  -0.049524   0.042336
-    1SOL     O4    4  -0.213713  -0.135633   0.065905
-    1SOL     H5    5  -0.229023  -0.146471   0.159769
-    1SOL     H6    6  -0.279746  -0.072212   0.037983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/228/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006543  -0.017473  -0.093884
-    0SOL     H3    3   0.083871   0.040071   0.022856
-    1SOL     O4    4   0.006532  -0.260510   0.092824
-    1SOL     H5    5   0.086108  -0.294486   0.051890
-    1SOL     H6    6   0.003528  -0.168471   0.066708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/229/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.066592  -0.037907  -0.057366
-    0SOL     H3    3  -0.013219   0.088564  -0.033824
-    1SOL     O4    4   0.177486   0.384237   0.035568
-    1SOL     H5    5   0.105016   0.336318  -0.004609
-    1SOL     H6    6   0.165498   0.474654   0.006527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/230/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010831  -0.008348   0.094738
-    0SOL     H3    3   0.031154   0.089600  -0.012791
-    1SOL     O4    4  -0.005021   0.258743  -0.062442
-    1SOL     H5    5  -0.085852   0.306857  -0.044730
-    1SOL     H6    6   0.064502   0.323487  -0.050736
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/231/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001778  -0.090726   0.030462
-    0SOL     H3    3   0.087619   0.033458   0.019124
-    1SOL     O4    4  -0.251249   0.112148   0.084970
-    1SOL     H5    5  -0.167952   0.065400   0.078750
-    1SOL     H6    6  -0.235736   0.194971   0.039562
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/232/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.061094  -0.052931   0.051265
-    0SOL     H3    3   0.007423   0.087917   0.037118
-    1SOL     O4    4   0.005051   0.258654   0.094062
-    1SOL     H5    5   0.016926   0.234183   0.185836
-    1SOL     H6    6  -0.079270   0.303910   0.092009
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003930   0.013852  -0.094631
-    0SOL     H3    3   0.087167  -0.032025   0.023207
-    1SOL     O4    4   0.188807  -0.325282  -0.232194
-    1SOL     H5    5   0.104813  -0.357248  -0.265142
-    1SOL     H6    6   0.196348  -0.236691  -0.267651
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/234/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088437  -0.031751  -0.018250
-    0SOL     H3    3  -0.008181   0.095369  -0.000405
-    1SOL     O4    4   0.021950  -0.020207   0.286400
-    1SOL     H5    5   0.034024  -0.036123   0.192788
-    1SOL     H6    6   0.102458  -0.052560   0.326824
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/235/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075465  -0.049916  -0.031237
-    0SOL     H3    3   0.073864  -0.034079  -0.050449
-    1SOL     O4    4  -0.023799   0.036002   0.282279
-    1SOL     H5    5  -0.006978   0.024766   0.188721
-    1SOL     H6    6  -0.036107   0.130286   0.293296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/236/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072280  -0.058601   0.022446
-    0SOL     H3    3  -0.003745   0.007291  -0.095368
-    1SOL     O4    4  -0.002310  -0.033313  -0.271072
-    1SOL     H5    5  -0.079601  -0.081798  -0.300015
-    1SOL     H6    6  -0.012659   0.053640  -0.309730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/237/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085608  -0.039180  -0.017279
-    0SOL     H3    3  -0.007954   0.089978  -0.031670
-    1SOL     O4    4  -0.217601  -0.154336  -0.085715
-    1SOL     H5    5  -0.221347  -0.166008  -0.180647
-    1SOL     H6    6  -0.309119  -0.146011  -0.058929
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/238/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012068   0.093193   0.018214
-    0SOL     H3    3   0.001102  -0.006124  -0.095518
-    1SOL     O4    4  -0.233337  -0.117512   0.053759
-    1SOL     H5    5  -0.229647  -0.104968   0.148582
-    1SOL     H6    6  -0.150153  -0.082669   0.021687
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/239/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087927   0.035197   0.013869
-    0SOL     H3    3  -0.001848  -0.024159  -0.092603
-    1SOL     O4    4   0.012617  -0.044280  -0.272338
-    1SOL     H5    5   0.089800  -0.020435  -0.323686
-    1SOL     H6    6  -0.058662   0.006434  -0.311194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/240/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077407  -0.044921  -0.033949
-    0SOL     H3    3   0.072501  -0.059613  -0.018766
-    1SOL     O4    4   0.202031  -0.142498  -0.036562
-    1SOL     H5    5   0.226349  -0.234372  -0.025161
-    1SOL     H6    6   0.284186  -0.094470  -0.026256
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/241/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083354   0.029779   0.036437
-    0SOL     H3    3   0.014156  -0.085983   0.039609
-    1SOL     O4    4  -0.029535   0.059716  -0.280010
-    1SOL     H5    5  -0.028676   0.035589  -0.187385
-    1SOL     H6    6  -0.017064  -0.023033  -0.326480
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/242/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079237  -0.038763   0.037166
-    0SOL     H3    3  -0.012374   0.081159   0.049218
-    1SOL     O4    4  -0.009125   0.246517   0.127195
-    1SOL     H5    5  -0.085436   0.272629   0.075647
-    1SOL     H6    6   0.063458   0.296244   0.089497
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/243/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087264   0.035487  -0.016969
-    0SOL     H3    3  -0.001822  -0.087619  -0.038495
-    1SOL     O4    4  -0.032598  -0.251196  -0.115739
-    1SOL     H5    5  -0.038888  -0.260093  -0.210836
-    1SOL     H6    6  -0.109353  -0.297503  -0.082174
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/244/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077628   0.041345  -0.037773
-    0SOL     H3    3  -0.011582  -0.093375  -0.017589
-    1SOL     O4    4  -0.214318   0.106298  -0.079811
-    1SOL     H5    5  -0.299279   0.085913  -0.040717
-    1SOL     H6    6  -0.189840   0.190515  -0.041460
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/245/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018618  -0.027421  -0.089799
-    0SOL     H3    3   0.081952   0.038744   0.030741
-    1SOL     O4    4   0.039158  -0.258342   0.075802
-    1SOL     H5    5   0.130485  -0.285125   0.065586
-    1SOL     H6    6   0.038364  -0.165865   0.051110
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/246/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077035   0.052714   0.021194
-    0SOL     H3    3   0.071760   0.042348   0.047112
-    1SOL     O4    4  -0.060324  -0.245943   0.065234
-    1SOL     H5    5  -0.149221  -0.279465   0.053580
-    1SOL     H6    6  -0.061674  -0.159531   0.024082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/247/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012663  -0.078838  -0.052787
-    0SOL     H3    3   0.074866   0.044043  -0.040220
-    1SOL     O4    4   0.015785  -0.006352   0.253820
-    1SOL     H5    5   0.020574   0.002406   0.158622
-    1SOL     H6    6   0.106505   0.001740   0.283258
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/248/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075573  -0.039088  -0.043854
-    0SOL     H3    3   0.074443  -0.022587  -0.055771
-    1SOL     O4    4  -0.250355  -0.123588  -0.080491
-    1SOL     H5    5  -0.329346  -0.077128  -0.052847
-    1SOL     H6    6  -0.253444  -0.121375  -0.176136
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/249/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010728   0.012239   0.094326
-    0SOL     H3    3  -0.075863   0.053774  -0.022703
-    1SOL     O4    4   0.187749   0.166589  -0.073531
-    1SOL     H5    5   0.102009   0.125568  -0.062209
-    1SOL     H6    6   0.246697   0.114406  -0.019085
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/250/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087001  -0.035561   0.018130
-    0SOL     H3    3   0.004540   0.090869   0.029742
-    1SOL     O4    4   0.030595   0.256739   0.081500
-    1SOL     H5    5   0.031664   0.273439   0.175746
-    1SOL     H6    6  -0.049547   0.298951   0.050555
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/251/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070252  -0.050010   0.041545
-    0SOL     H3    3   0.078412  -0.022683   0.049994
-    1SOL     O4    4  -0.071533   0.257302   0.105970
-    1SOL     H5    5  -0.056294   0.249858   0.200175
-    1SOL     H6    6  -0.052329   0.170059   0.071585
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/252/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066526   0.061375   0.031141
-    0SOL     H3    3   0.079478   0.052749  -0.007943
-    1SOL     O4    4  -0.006270  -0.257000   0.063544
-    1SOL     H5    5  -0.081416  -0.294776   0.017845
-    1SOL     H6    6  -0.005849  -0.165012   0.037080
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/253/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013875  -0.021317  -0.092279
-    0SOL     H3    3  -0.020646  -0.083910   0.041173
-    1SOL     O4    4  -0.025253  -0.243781   0.114634
-    1SOL     H5    5  -0.000188  -0.213503   0.201911
-    1SOL     H6    6   0.056969  -0.271790   0.074417
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/254/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092914   0.022548  -0.004572
-    0SOL     H3    3  -0.043637   0.067356  -0.052166
-    1SOL     O4    4   0.042843   0.016017   0.268636
-    1SOL     H5    5   0.062070  -0.073561   0.296355
-    1SOL     H6    6   0.013587   0.007308   0.177913
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/255/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013496  -0.093005  -0.018173
-    0SOL     H3    3   0.079071   0.042632  -0.033053
-    1SOL     O4    4  -0.200290   0.139762  -0.098517
-    1SOL     H5    5  -0.278605   0.091805  -0.071513
-    1SOL     H6    6  -0.128104   0.094116  -0.055298
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/256/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013992   0.010100  -0.094152
-    0SOL     H3    3   0.073070   0.046903   0.040288
-    1SOL     O4    4  -0.015190  -0.034120  -0.273552
-    1SOL     H5    5  -0.018288  -0.122003  -0.311359
-    1SOL     H6    6   0.060661   0.007124  -0.314879
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/257/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075169  -0.038871   0.044732
-    0SOL     H3    3   0.020582  -0.008257  -0.093116
-    1SOL     O4    4   0.010477   0.004643  -0.286902
-    1SOL     H5    5  -0.050580  -0.063965  -0.313870
-    1SOL     H6    6   0.096241  -0.027076  -0.315201
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/258/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071616   0.056454  -0.029094
-    0SOL     H3    3   0.077555   0.035165  -0.043714
-    1SOL     O4    4   0.216582   0.139493  -0.103817
-    1SOL     H5    5   0.225932   0.124564  -0.197902
-    1SOL     H6    6   0.289755   0.091871  -0.064572
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/259/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072868  -0.053544  -0.031395
-    0SOL     H3    3   0.012938   0.085082  -0.041905
-    1SOL     O4    4  -0.215552  -0.150094  -0.076085
-    1SOL     H5    5  -0.230822  -0.132688  -0.168962
-    1SOL     H6    6  -0.158208  -0.079000  -0.047456
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/260/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011940   0.017135  -0.093414
-    0SOL     H3    3   0.082427   0.027473   0.040167
-    1SOL     O4    4   0.008748   0.022825  -0.270108
-    1SOL     H5    5  -0.007431  -0.069811  -0.287973
-    1SOL     H6    6  -0.074389   0.065953  -0.289872
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/261/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003187   0.004481   0.095562
-    0SOL     H3    3   0.072635   0.055161  -0.029048
-    1SOL     O4    4   0.016912  -0.244609  -0.161196
-    1SOL     H5    5   0.069215  -0.315990  -0.124707
-    1SOL     H6    6   0.047648  -0.166440  -0.115293
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/262/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066993   0.055515  -0.039903
-    0SOL     H3    3  -0.012768  -0.085829  -0.040406
-    1SOL     O4    4   0.228345   0.101515  -0.122851
-    1SOL     H5    5   0.159946   0.048720  -0.081660
-    1SOL     H6    6   0.199907   0.191988  -0.109881
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/263/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006816  -0.007833   0.095155
-    0SOL     H3    3   0.002983  -0.090240  -0.031784
-    1SOL     O4    4  -0.250596   0.115258  -0.135719
-    1SOL     H5    5  -0.169108   0.079937  -0.100020
-    1SOL     H6    6  -0.254940   0.204632  -0.101723
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/264/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007448   0.019133  -0.093492
-    0SOL     H3    3   0.074717   0.044773   0.039686
-    1SOL     O4    4   0.231842   0.099440   0.084011
-    1SOL     H5    5   0.214209   0.066138   0.172002
-    1SOL     H6    6   0.316637   0.061697   0.060612
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/265/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013006   0.008865  -0.094417
-    0SOL     H3    3   0.077018   0.041500   0.038836
-    1SOL     O4    4   0.223010   0.160388   0.053391
-    1SOL     H5    5   0.247293   0.160480   0.145980
-    1SOL     H6    6   0.292520   0.110565   0.010400
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/266/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075876  -0.040183  -0.042315
-    0SOL     H3    3   0.010377   0.093775  -0.016154
-    1SOL     O4    4  -0.002511   0.269495  -0.062340
-    1SOL     H5    5  -0.082259   0.317062  -0.039100
-    1SOL     H6    6   0.068122   0.332365  -0.047488
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/267/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006916  -0.019194  -0.093521
-    0SOL     H3    3  -0.078424  -0.039203   0.038408
-    1SOL     O4    4   0.013085  -0.006667  -0.289814
-    1SOL     H5    5   0.021453   0.085468  -0.314379
-    1SOL     H6    6   0.089646  -0.048929  -0.328733
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/268/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000331  -0.088746  -0.035867
-    0SOL     H3    3   0.075588   0.042533  -0.040494
-    1SOL     O4    4  -0.026381   0.003153   0.286809
-    1SOL     H5    5  -0.000248  -0.001016   0.194819
-    1SOL     H6    6   0.031442   0.069057   0.325221
-  3.000000   3.000000   3.000000
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-    6
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-    1SOL     H6    6   0.213916   0.226439   0.077469
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017092   0.004020  -0.094096
-    0SOL     H3    3  -0.077096   0.040101   0.040130
-    1SOL     O4    4  -0.218209   0.098179   0.090481
-    1SOL     H5    5  -0.226452   0.117721   0.183821
-    1SOL     H6    6  -0.235931   0.181517   0.046857
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015999  -0.018114   0.092619
-    0SOL     H3    3  -0.013061  -0.086246  -0.039413
-    1SOL     O4    4   0.020840  -0.259631  -0.146124
-    1SOL     H5    5  -0.045194  -0.301856  -0.091179
-    1SOL     H6    6   0.103527  -0.299767  -0.119400
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017350  -0.089663  -0.028666
-    0SOL     H3    3  -0.089040   0.018030  -0.030151
-    1SOL     O4    4  -0.022958  -0.023263   0.275537
-    1SOL     H5    5  -0.033889  -0.019957   0.180501
-    1SOL     H6    6   0.060682   0.020422   0.291608
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090277   0.027327   0.016298
-    0SOL     H3    3   0.001677  -0.092704   0.023779
-    1SOL     O4    4  -0.010979  -0.252755   0.075365
-    1SOL     H5    5  -0.083215  -0.307167   0.044003
-    1SOL     H6    6   0.067126  -0.291402   0.035763
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080739   0.035243   0.037435
-    0SOL     H3    3   0.001837  -0.091334   0.028583
-    1SOL     O4    4   0.222746   0.173888   0.087177
-    1SOL     H5    5   0.167448   0.100967   0.059125
-    1SOL     H6    6   0.198236   0.246189   0.029434
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078436  -0.037532  -0.040018
-    0SOL     H3    3  -0.001344   0.092032  -0.026278
-    1SOL     O4    4   0.042236   0.028482   0.251838
-    1SOL     H5    5   0.029970   0.009332   0.158859
-    1SOL     H6    6   0.109956  -0.032909   0.280255
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073981  -0.051543   0.032133
-    0SOL     H3    3   0.077153  -0.051625   0.023336
-    1SOL     O4    4   0.005768  -0.006024   0.435119
-    1SOL     H5    5   0.077877  -0.059412   0.401767
-    1SOL     H6    6   0.014697  -0.010410   0.530320
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.086568  -0.022217   0.034273
-    0SOL     H3    3   0.020247   0.084953   0.039184
-    1SOL     O4    4  -0.240192  -0.104161   0.071440
-    1SOL     H5    5  -0.261679  -0.091452   0.163847
-    1SOL     H6    6  -0.312303  -0.062667   0.024106
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072714   0.044499   0.043530
-    0SOL     H3    3   0.003944  -0.086036   0.041768
-    1SOL     O4    4  -0.211696   0.329148   0.072664
-    1SOL     H5    5  -0.292680   0.375778   0.093389
-    1SOL     H6    6  -0.142556   0.382616   0.111691
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044452   0.012948   0.083777
-    0SOL     H3    3  -0.008678   0.088090  -0.036430
-    1SOL     O4    4  -0.193734  -0.099367   0.315722
-    1SOL     H5    5  -0.224359  -0.085129   0.405286
-    1SOL     H6    6  -0.267284  -0.072523   0.260657
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/280/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.067210  -0.045920  -0.050364
-    0SOL     H3    3   0.074800  -0.059726   0.000247
-    1SOL     O4    4  -0.057999   0.015286   0.296126
-    1SOL     H5    5  -0.133526  -0.042734   0.305701
-    1SOL     H6    6  -0.039690   0.015539   0.202174
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/281/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016479   0.006909   0.094037
-    0SOL     H3    3   0.080626   0.049671  -0.013949
-    1SOL     O4    4   0.232934   0.134815  -0.096412
-    1SOL     H5    5   0.311766   0.092305  -0.062636
-    1SOL     H6    6   0.244505   0.227374  -0.074936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/282/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078321   0.049518  -0.024002
-    0SOL     H3    3   0.072896   0.056639  -0.025308
-    1SOL     O4    4  -0.214526   0.165292  -0.070796
-    1SOL     H5    5  -0.213044   0.152977  -0.165709
-    1SOL     H6    6  -0.294876   0.121831  -0.042208
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/283/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.027740  -0.086605   0.029872
-    0SOL     H3    3   0.010440  -0.002935  -0.095104
-    1SOL     O4    4  -0.211236   0.156431   0.081186
-    1SOL     H5    5  -0.291904   0.113466   0.052744
-    1SOL     H6    6  -0.142290   0.092637   0.062772
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/284/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011067   0.004888   0.094952
-    0SOL     H3    3  -0.011783  -0.092688  -0.020794
-    1SOL     O4    4  -0.064098  -0.023953   0.291423
-    1SOL     H5    5  -0.142663   0.018341   0.326080
-    1SOL     H6    6   0.008338   0.029094   0.324611
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/285/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011475   0.014679   0.093889
-    0SOL     H3    3   0.076966  -0.056569  -0.006215
-    1SOL     O4    4   0.057322   0.030288   0.276083
-    1SOL     H5    5   0.127601  -0.022934   0.313372
-    1SOL     H6    6   0.066319   0.115384   0.318977
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/286/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000317   0.094710   0.013862
-    0SOL     H3    3   0.092470  -0.024469   0.003586
-    1SOL     O4    4  -0.205266  -0.148669   0.121480
-    1SOL     H5    5  -0.132226  -0.092128   0.096370
-    1SOL     H6    6  -0.281905  -0.108448   0.080602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/287/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003643  -0.001726   0.095635
-    0SOL     H3    3   0.076747   0.053544  -0.020130
-    1SOL     O4    4   0.011600  -0.001174   0.274797
-    1SOL     H5    5  -0.058586   0.055795   0.306273
-    1SOL     H6    6   0.090369   0.031544   0.318241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/288/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072383  -0.036900  -0.050610
-    0SOL     H3    3   0.078734  -0.029033  -0.046048
-    1SOL     O4    4   0.233291  -0.088793  -0.110409
-    1SOL     H5    5   0.244342  -0.109324  -0.203246
-    1SOL     H6    6   0.318191  -0.053888  -0.083278
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083324  -0.032247  -0.034345
-    0SOL     H3    3   0.006440   0.089652  -0.032915
-    1SOL     O4    4   0.041221   0.010164   0.304253
-    1SOL     H5    5   0.019727  -0.015197   0.214491
-    1SOL     H6    6   0.031654   0.105400   0.305226
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/290/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081008  -0.050179   0.009060
-    0SOL     H3    3  -0.027572   0.091441   0.006367
-    1SOL     O4    4  -0.213180  -0.141648   0.053410
-    1SOL     H5    5  -0.221922  -0.232240   0.023762
-    1SOL     H6    6  -0.186405  -0.148857   0.145025
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070083   0.054211   0.036220
-    0SOL     H3    3   0.080599   0.045441   0.024521
-    1SOL     O4    4   0.251498   0.136523   0.064343
-    1SOL     H5    5   0.342377   0.106866   0.059465
-    1SOL     H6    6   0.254784   0.228423   0.037775
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/292/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070405   0.053572   0.036545
-    0SOL     H3    3   0.079654   0.033996   0.040765
-    1SOL     O4    4   0.228250   0.115058   0.086680
-    1SOL     H5    5   0.306754   0.079742   0.044820
-    1SOL     H6    6   0.236456   0.209924   0.076913
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010990  -0.000765  -0.095084
-    0SOL     H3    3   0.003758   0.092625   0.023848
-    1SOL     O4    4   0.227021  -0.130826   0.056989
-    1SOL     H5    5   0.151251  -0.074244   0.042166
-    1SOL     H6    6   0.301114  -0.081387   0.021941
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/294/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012046  -0.019440  -0.092948
-    0SOL     H3    3   0.085231   0.032555   0.028952
-    1SOL     O4    4   0.231278   0.104763   0.081363
-    1SOL     H5    5   0.295407   0.059166   0.026859
-    1SOL     H6    6   0.250913   0.076130   0.170565
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/295/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.033615  -0.003086   0.089570
-    0SOL     H3    3   0.063231   0.053908  -0.047519
-    1SOL     O4    4  -0.236829   0.120943  -0.088366
-    1SOL     H5    5  -0.240771   0.210002  -0.053505
-    1SOL     H6    6  -0.161131   0.081533  -0.045019
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/296/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084954   0.015117   0.041433
-    0SOL     H3    3   0.019447  -0.004687  -0.093606
-    1SOL     O4    4  -0.073700   0.010006  -0.269811
-    1SOL     H5    5  -0.150912   0.064900  -0.283498
-    1SOL     H6    6  -0.001077   0.061563  -0.304885
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071726  -0.054560   0.032263
-    0SOL     H3    3   0.078733  -0.038851   0.038132
-    1SOL     O4    4  -0.027507   0.286575   0.042345
-    1SOL     H5    5  -0.107175   0.311792  -0.004339
-    1SOL     H6    6  -0.022863   0.191500   0.032272
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/298/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083795   0.038013  -0.026378
-    0SOL     H3    3   0.065739   0.059770  -0.035613
-    1SOL     O4    4  -0.075819   0.021529   0.265708
-    1SOL     H5    5  -0.046595   0.021471   0.174558
-    1SOL     H6    6  -0.082873  -0.071119   0.288708
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/299/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085123  -0.030551  -0.031355
-    0SOL     H3    3   0.005471   0.090734  -0.029995
-    1SOL     O4    4  -0.235156  -0.117519  -0.067591
-    1SOL     H5    5  -0.227315  -0.102071  -0.161730
-    1SOL     H6    6  -0.305490  -0.059010  -0.039446
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/300/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000439   0.033640   0.089613
-    0SOL     H3    3   0.077084   0.039429  -0.040813
-    1SOL     O4    4  -0.208045   0.112077  -0.125646
-    1SOL     H5    5  -0.189474   0.129156  -0.217981
-    1SOL     H6    6  -0.135651   0.056675  -0.096455
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/301/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079010  -0.041758   0.034293
-    0SOL     H3    3  -0.008474   0.091900   0.025396
-    1SOL     O4    4   0.222747  -0.136420   0.111332
-    1SOL     H5    5   0.141159  -0.088207   0.097871
-    1SOL     H6    6   0.215009  -0.213035   0.054476
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/302/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088562   0.017314   0.031928
-    0SOL     H3    3   0.010963  -0.094588   0.009755
-    1SOL     O4    4   0.223754   0.123387   0.047548
-    1SOL     H5    5   0.145010   0.073392   0.026054
-    1SOL     H6    6   0.292822   0.083210  -0.005157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/303/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001019   0.010727   0.095112
-    0SOL     H3    3   0.079950   0.043320  -0.029895
-    1SOL     O4    4   0.239937   0.113546  -0.079807
-    1SOL     H5    5   0.237552   0.108914  -0.175385
-    1SOL     H6    6   0.304249   0.047445  -0.054174
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/304/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068420   0.057953  -0.033503
-    0SOL     H3    3  -0.081654   0.047019  -0.016856
-    1SOL     O4    4  -0.022462  -0.266861  -0.077124
-    1SOL     H5    5   0.060354  -0.308053  -0.052488
-    1SOL     H6    6  -0.016249  -0.177861  -0.042445
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/305/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083537   0.039070   0.025642
-    0SOL     H3    3  -0.009428  -0.092866   0.021198
-    1SOL     O4    4   0.230229   0.148473   0.078818
-    1SOL     H5    5   0.145002   0.110182   0.058022
-    1SOL     H6    6   0.293113   0.094536   0.030873
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-    6
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-    0SOL     H2    2  -0.004149  -0.094120  -0.016928
-    0SOL     H3    3   0.065463   0.032626  -0.061746
-    1SOL     O4    4  -0.038382  -0.251793  -0.080162
-    1SOL     H5    5  -0.046886  -0.245900  -0.175321
-    1SOL     H6    6  -0.125913  -0.275698  -0.049680
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/307/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067932  -0.054383   0.039875
-    0SOL     H3    3   0.032095   0.089628   0.009952
-    1SOL     O4    4   0.202053  -0.157631   0.113402
-    1SOL     H5    5   0.198374  -0.118097   0.200499
-    1SOL     H6    6   0.270058  -0.108315   0.067515
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/308/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016689   0.018060  -0.092507
-    0SOL     H3    3  -0.067533   0.049265   0.046633
-    1SOL     O4    4   0.239010   0.112491   0.079668
-    1SOL     H5    5   0.160423   0.072367   0.042567
-    1SOL     H6    6   0.309038   0.088810   0.018860
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/309/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006869  -0.010316  -0.094914
-    0SOL     H3    3   0.018202   0.092696   0.015445
-    1SOL     O4    4  -0.197914  -0.145459   0.106986
-    1SOL     H5    5  -0.189015  -0.131922   0.201325
-    1SOL     H6    6  -0.122059  -0.101035   0.069106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/310/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002918  -0.077540  -0.056048
-    0SOL     H3    3   0.075282   0.052334  -0.027497
-    1SOL     O4    4  -0.442993  -0.016290  -0.019322
-    1SOL     H5    5  -0.509258   0.026324  -0.073684
-    1SOL     H6    6  -0.434344  -0.104096  -0.056439
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/311/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025006   0.000644  -0.092394
-    0SOL     H3    3   0.024463  -0.090851   0.017608
-    1SOL     O4    4   0.025375  -0.246636   0.087499
-    1SOL     H5    5  -0.003964  -0.218677   0.174217
-    1SOL     H6    6   0.112646  -0.283071   0.102282
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/312/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009234   0.009099   0.094838
-    0SOL     H3    3   0.080654   0.037237  -0.035647
-    1SOL     O4    4   0.259806   0.121511  -0.077191
-    1SOL     H5    5   0.222167   0.113330  -0.164819
-    1SOL     H6    6   0.222253   0.202390  -0.042396
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/313/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010157   0.020226  -0.093006
-    0SOL     H3    3  -0.081956  -0.049195   0.005050
-    1SOL     O4    4   0.003467   0.049418  -0.286521
-    1SOL     H5    5   0.076535  -0.011670  -0.296095
-    1SOL     H6    6   0.037900   0.133099  -0.317732
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/314/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001548   0.094121  -0.017352
-    0SOL     H3    3   0.069867  -0.035668  -0.054851
-    1SOL     O4    4   0.234348  -0.124356  -0.093416
-    1SOL     H5    5   0.230836  -0.208724  -0.048338
-    1SOL     H6    6   0.300963  -0.074575  -0.046018
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/315/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073580  -0.048193  -0.037759
-    0SOL     H3    3  -0.002568   0.085400  -0.043157
-    1SOL     O4    4  -0.254558  -0.124984  -0.062287
-    1SOL     H5    5  -0.258142  -0.124997  -0.157940
-    1SOL     H6    6  -0.273671  -0.215453  -0.037543
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/316/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002152   0.011457  -0.095007
-    0SOL     H3    3  -0.026743   0.085437   0.033876
-    1SOL     O4    4   0.216130  -0.121168   0.141117
-    1SOL     H5    5   0.145261  -0.081803   0.090222
-    1SOL     H6    6   0.295828  -0.097141   0.093861
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/317/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003733   0.008105   0.095303
-    0SOL     H3    3   0.081592  -0.047110  -0.016901
-    1SOL     O4    4   0.250212  -0.106653  -0.050609
-    1SOL     H5    5   0.261433  -0.101564  -0.145533
-    1SOL     H6    6   0.276016  -0.196052  -0.028152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/318/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008918  -0.025133  -0.091930
-    0SOL     H3    3  -0.069261  -0.048425   0.044947
-    1SOL     O4    4   0.228761  -0.150907   0.051046
-    1SOL     H5    5   0.157284  -0.087921   0.041765
-    1SOL     H6    6   0.302707  -0.110102   0.005998
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/319/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.051417  -0.064228  -0.048923
-    0SOL     H3    3  -0.012297   0.082016  -0.047796
-    1SOL     O4    4   0.009695   0.240586  -0.122874
-    1SOL     H5    5  -0.052984   0.295603  -0.075898
-    1SOL     H6    6   0.095428   0.271694  -0.093814
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/320/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070138  -0.049369  -0.042493
-    0SOL     H3    3  -0.010382   0.089380  -0.032645
-    1SOL     O4    4  -0.032260   0.031352   0.269519
-    1SOL     H5    5  -0.015655   0.054292   0.178084
-    1SOL     H6    6   0.034579  -0.033904   0.290409
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/321/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077671  -0.046325  -0.031360
-    0SOL     H3    3  -0.011312   0.089746  -0.031304
-    1SOL     O4    4  -0.209939  -0.159799  -0.094127
-    1SOL     H5    5  -0.203057  -0.130154  -0.184881
-    1SOL     H6    6  -0.190826  -0.253512  -0.097977
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/322/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000148  -0.024572  -0.092512
-    0SOL     H3    3  -0.012578  -0.082578   0.046744
-    1SOL     O4    4  -0.249552   0.113087   0.071874
-    1SOL     H5    5  -0.319736   0.070300   0.022827
-    1SOL     H6    6  -0.168954   0.080292   0.031988
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/323/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.044632  -0.018769  -0.082571
-    0SOL     H3    3   0.072322  -0.062634   0.002966
-    1SOL     O4    4  -0.086407  -0.060113  -0.233574
-    1SOL     H5    5  -0.158669  -0.115813  -0.262524
-    1SOL     H6    6  -0.007538  -0.107177  -0.260538
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/324/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008235  -0.002058   0.095343
-    0SOL     H3    3  -0.064696   0.064627  -0.028286
-    1SOL     O4    4  -0.015746  -0.248941  -0.094830
-    1SOL     H5    5  -0.098806  -0.287901  -0.067528
-    1SOL     H6    6  -0.022591  -0.157101  -0.068735
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/325/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002699   0.004262   0.095587
-    0SOL     H3    3  -0.086483  -0.032509  -0.025024
-    1SOL     O4    4   0.190974  -0.142601  -0.166229
-    1SOL     H5    5   0.117454  -0.112409  -0.112885
-    1SOL     H6    6   0.266797  -0.095771  -0.131297
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/326/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080612  -0.037617  -0.035340
-    0SOL     H3    3  -0.070017  -0.052323  -0.039016
-    1SOL     O4    4   0.029682   0.247631  -0.058123
-    1SOL     H5    5   0.109746   0.276563  -0.014363
-    1SOL     H6    6   0.027719   0.152919  -0.044408
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/327/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015317   0.008476   0.094106
-    0SOL     H3    3   0.000874  -0.094360  -0.016054
-    1SOL     O4    4  -0.207600   0.144126  -0.114457
-    1SOL     H5    5  -0.121210   0.111086  -0.089810
-    1SOL     H6    6  -0.214587   0.228582  -0.069952
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/328/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009458  -0.091438  -0.026684
-    0SOL     H3    3   0.085047   0.039516  -0.019177
-    1SOL     O4    4  -0.245910   0.147678  -0.081219
-    1SOL     H5    5  -0.258425   0.149279  -0.176104
-    1SOL     H6    6  -0.162670   0.102090  -0.068757
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/329/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083247   0.045488   0.012771
-    0SOL     H3    3   0.066535   0.067488   0.013446
-    1SOL     O4    4  -0.013272  -0.036000  -0.274683
-    1SOL     H5    5  -0.003504  -0.000082  -0.186497
-    1SOL     H6    6  -0.070062   0.026417  -0.319865
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/330/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074879  -0.049266  -0.033589
-    0SOL     H3    3   0.017045   0.090450  -0.026278
-    1SOL     O4    4  -0.225128  -0.106607  -0.057841
-    1SOL     H5    5  -0.301706  -0.049820  -0.049270
-    1SOL     H6    6  -0.151693  -0.052374  -0.029060
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/331/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073747  -0.048766  -0.036683
-    0SOL     H3    3  -0.003236   0.085007  -0.043882
-    1SOL     O4    4   0.002636  -0.057895   0.265703
-    1SOL     H5    5  -0.024413  -0.041044   0.175444
-    1SOL     H6    6  -0.077192  -0.087279   0.309592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/332/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007449  -0.089822   0.032231
-    0SOL     H3    3   0.085823   0.029410   0.030525
-    1SOL     O4    4   0.245524   0.111688  -0.011804
-    1SOL     H5    5   0.338091   0.088531  -0.019377
-    1SOL     H6    6   0.235313   0.188464  -0.068049
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/333/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.089347  -0.027769   0.020206
-    0SOL     H3    3   0.004259   0.095619  -0.001110
-    1SOL     O4    4   0.026329  -0.011326  -0.271109
-    1SOL     H5    5   0.005898  -0.014536  -0.177650
-    1SOL     H6    6  -0.052236  -0.045207  -0.314027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/334/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.026566   0.031466  -0.086408
-    0SOL     H3    3  -0.079746  -0.037382   0.037490
-    1SOL     O4    4   0.173146  -0.122448   0.315890
-    1SOL     H5    5   0.212469  -0.182009   0.379674
-    1SOL     H6    6   0.184576  -0.166508   0.231686
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/335/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001997  -0.001014  -0.095694
-    0SOL     H3    3   0.019859   0.090651   0.023459
-    1SOL     O4    4   0.156346  -0.157418   0.372312
-    1SOL     H5    5   0.159241  -0.166352   0.277054
-    1SOL     H6    6   0.081502  -0.100062   0.388773
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/336/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083538  -0.043700   0.016553
-    0SOL     H3    3   0.004498   0.007873  -0.095290
-    1SOL     O4    4  -0.012023   0.266943   0.094401
-    1SOL     H5    5  -0.095285   0.304111   0.065276
-    1SOL     H6    6  -0.009777   0.179576   0.055358
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/337/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.066692  -0.055041  -0.041050
-    0SOL     H3    3   0.018316   0.088156  -0.032485
-    1SOL     O4    4  -0.237044  -0.094129  -0.117628
-    1SOL     H5    5  -0.251169  -0.180859  -0.079670
-    1SOL     H6    6  -0.155906  -0.063222  -0.077333
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/338/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003344   0.048450   0.082485
-    0SOL     H3    3  -0.081444   0.028616  -0.041356
-    1SOL     O4    4  -0.235578   0.289047  -0.033263
-    1SOL     H5    5  -0.245250   0.208416  -0.083934
-    1SOL     H6    6  -0.297639   0.350042  -0.073142
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/339/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066933  -0.038492   0.056574
-    0SOL     H3    3   0.004291   0.091761   0.026904
-    1SOL     O4    4   0.258715  -0.093083   0.069808
-    1SOL     H5    5   0.279799  -0.095327   0.163150
-    1SOL     H6    6   0.170637  -0.055800   0.065990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/340/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070535   0.037905  -0.052445
-    0SOL     H3    3   0.022521  -0.081292  -0.045241
-    1SOL     O4    4  -0.013965  -0.047437   0.276620
-    1SOL     H5    5   0.003198  -0.037351   0.182992
-    1SOL     H6    6  -0.011416  -0.141969   0.291438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/341/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.028752  -0.087574   0.025814
-    0SOL     H3    3   0.079522   0.053199   0.002916
-    1SOL     O4    4   0.003789  -0.265149   0.073917
-    1SOL     H5    5   0.005876  -0.248400   0.168137
-    1SOL     H6    6   0.092405  -0.294531   0.052797
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/342/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012593   0.025361  -0.091436
-    0SOL     H3    3  -0.015342   0.080448   0.049549
-    1SOL     O4    4   0.231366  -0.101003   0.078977
-    1SOL     H5    5   0.205841  -0.100035   0.171226
-    1SOL     H6    6   0.153168  -0.071797   0.032132
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004223  -0.028826   0.091179
-    0SOL     H3    3  -0.083544   0.046236  -0.006707
-    1SOL     O4    4   0.019270  -0.070820   0.279431
-    1SOL     H5    5  -0.055097  -0.018091   0.308612
-    1SOL     H6    6   0.094382  -0.034355   0.326238
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030839  -0.007315  -0.090320
-    0SOL     H3    3  -0.007136  -0.090508   0.030327
-    1SOL     O4    4  -0.021269  -0.025279  -0.277287
-    1SOL     H5    5  -0.003868  -0.119358  -0.280245
-    1SOL     H6    6   0.056254   0.014716  -0.316693
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/345/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080044  -0.029965   0.043098
-    0SOL     H3    3  -0.020609   0.083119   0.042765
-    1SOL     O4    4   0.195352  -0.144016   0.091597
-    1SOL     H5    5   0.177947  -0.238138   0.092229
-    1SOL     H6    6   0.280505  -0.135645   0.048687
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/346/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075213  -0.056166   0.018728
-    0SOL     H3    3   0.074475  -0.045864   0.038889
-    1SOL     O4    4   0.249079  -0.067781   0.081174
-    1SOL     H5    5   0.269803  -0.059146   0.174224
-    1SOL     H6    6   0.234634  -0.161539   0.068405
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/347/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008083   0.089413  -0.033201
-    0SOL     H3    3  -0.012613   0.010467   0.094306
-    1SOL     O4    4   0.009162   0.264056  -0.107251
-    1SOL     H5    5  -0.059949   0.319986  -0.071787
-    1SOL     H6    6   0.090600   0.306781  -0.080703
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/348/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015924   0.043570  -0.083728
-    0SOL     H3    3  -0.081716   0.038347   0.031849
-    1SOL     O4    4   0.242578   0.127666   0.098658
-    1SOL     H5    5   0.262081   0.104970   0.189580
-    1SOL     H6    6   0.176727   0.063703   0.071552
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/349/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075828  -0.042579  -0.039993
-    0SOL     H3    3  -0.004335   0.085828  -0.042156
-    1SOL     O4    4   0.222021  -0.180753  -0.066121
-    1SOL     H5    5   0.216111  -0.160549  -0.159498
-    1SOL     H6    6   0.307499  -0.146813  -0.039587
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/350/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009350   0.094319  -0.013371
-    0SOL     H3    3  -0.003357  -0.010543   0.095078
-    1SOL     O4    4   0.013589   0.035453   0.282850
-    1SOL     H5    5   0.019054   0.129792   0.298100
-    1SOL     H6    6   0.092161  -0.000155   0.324335
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/351/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069957  -0.047356  -0.045008
-    0SOL     H3    3   0.016903   0.076200  -0.055409
-    1SOL     O4    4   0.010899   0.241690  -0.134624
-    1SOL     H5    5   0.004649   0.245667  -0.230057
-    1SOL     H6    6  -0.065156   0.290791  -0.103527
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/352/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024831  -0.001387   0.092433
-    0SOL     H3    3  -0.074777   0.040059  -0.044339
-    1SOL     O4    4  -0.080710  -0.016431   0.258251
-    1SOL     H5    5  -0.169855   0.013664   0.275848
-    1SOL     H6    6  -0.068548  -0.091057   0.316948
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/353/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003752   0.024108   0.092558
-    0SOL     H3    3  -0.082948   0.036398  -0.030936
-    1SOL     O4    4  -0.050916  -0.012236   0.281538
-    1SOL     H5    5  -0.047077  -0.105391   0.303210
-    1SOL     H6    6   0.018623   0.027486   0.333967
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/354/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069079  -0.045482  -0.048185
-    0SOL     H3    3   0.003507   0.090041  -0.032289
-    1SOL     O4    4   0.006875   0.260874  -0.056162
-    1SOL     H5    5   0.007892   0.265771  -0.151751
-    1SOL     H6    6   0.068022   0.328918  -0.027994
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/355/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001403  -0.018231  -0.093957
-    0SOL     H3    3  -0.064379  -0.060332   0.037117
-    1SOL     O4    4  -0.017087   0.262485   0.115136
-    1SOL     H5    5  -0.102577   0.282671   0.077106
-    1SOL     H6    6   0.005541   0.176722   0.079152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/356/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005256  -0.013892   0.094561
-    0SOL     H3    3   0.000930  -0.088192  -0.037197
-    1SOL     O4    4   0.253369   0.108231  -0.078207
-    1SOL     H5    5   0.232795   0.198979  -0.055760
-    1SOL     H6    6   0.182059   0.057243  -0.039770
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/357/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018880  -0.093464  -0.008389
-    0SOL     H3    3   0.033212   0.009860   0.089230
-    1SOL     O4    4  -0.206032   0.142330  -0.077441
-    1SOL     H5    5  -0.136507   0.092431  -0.034562
-    1SOL     H6    6  -0.187501   0.133819  -0.170964
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/358/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011938   0.013282  -0.094039
-    0SOL     H3    3   0.020429   0.084983   0.039024
-    1SOL     O4    4  -0.212497  -0.157405   0.081569
-    1SOL     H5    5  -0.282329  -0.094656   0.062906
-    1SOL     H6    6  -0.132191  -0.112487   0.055193
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/359/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.085995   0.033078   0.025941
-    0SOL     H3    3  -0.062151   0.052960   0.049948
-    1SOL     O4    4   0.023738  -0.283843   0.057051
-    1SOL     H5    5  -0.042505  -0.337666   0.013724
-    1SOL     H6    6  -0.006597  -0.193899   0.044717
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/360/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078036  -0.034027   0.043760
-    0SOL     H3    3   0.020040  -0.006603  -0.093365
-    1SOL     O4    4   0.194476  -0.140765   0.130423
-    1SOL     H5    5   0.188410  -0.148213   0.225659
-    1SOL     H6    6   0.286048  -0.118322   0.113891
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/361/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006519  -0.004437  -0.095395
-    0SOL     H3    3   0.006995   0.093298   0.020220
-    1SOL     O4    4   0.202703  -0.117267   0.130916
-    1SOL     H5    5   0.129088  -0.068762   0.093628
-    1SOL     H6    6   0.202802  -0.200634   0.083881
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/362/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072623   0.030722   0.054263
-    0SOL     H3    3   0.063208   0.071865   0.001573
-    1SOL     O4    4  -0.028116   0.049748  -0.277641
-    1SOL     H5    5  -0.024548   0.031483  -0.183747
-    1SOL     H6    6  -0.022100  -0.036328  -0.319078
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/363/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068614   0.058007   0.033009
-    0SOL     H3    3   0.081140   0.035988   0.035826
-    1SOL     O4    4   0.245632   0.113876   0.120571
-    1SOL     H5    5   0.299321   0.055917   0.066528
-    1SOL     H6    6   0.256099   0.200304   0.080785
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/364/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071927  -0.051858  -0.036049
-    0SOL     H3    3  -0.020984   0.090208  -0.024177
-    1SOL     O4    4  -0.074285  -0.039928   0.298595
-    1SOL     H5    5  -0.053586  -0.033660   0.205350
-    1SOL     H6    6  -0.003275  -0.092470   0.335463
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/365/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013794  -0.020577  -0.092459
-    0SOL     H3    3   0.066289  -0.051353   0.046164
-    1SOL     O4    4  -0.064265   0.270814   0.056773
-    1SOL     H5    5  -0.097482   0.265968   0.146414
-    1SOL     H6    6  -0.045969   0.179913   0.033012
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/366/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067206   0.050508  -0.045767
-    0SOL     H3    3  -0.078338   0.054834  -0.004326
-    1SOL     O4    4   0.022299   0.083596   0.284089
-    1SOL     H5    5   0.039481   0.064489   0.191883
-    1SOL     H6    6   0.107887   0.106755   0.320152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/367/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075149  -0.057887  -0.012806
-    0SOL     H3    3  -0.032114   0.086788  -0.024470
-    1SOL     O4    4  -0.235727  -0.151503  -0.042184
-    1SOL     H5    5  -0.216766  -0.153660  -0.135982
-    1SOL     H6    6  -0.227694  -0.242618  -0.013974
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/368/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087397   0.037237   0.011726
-    0SOL     H3    3  -0.014537  -0.094521  -0.004092
-    1SOL     O4    4  -0.224162   0.131184   0.044981
-    1SOL     H5    5  -0.255052   0.155409   0.132281
-    1SOL     H6    6  -0.212279   0.214677  -0.000296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/369/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005774  -0.012345   0.094745
-    0SOL     H3    3  -0.073982  -0.049494  -0.035203
-    1SOL     O4    4  -0.189613  -0.145946  -0.116081
-    1SOL     H5    5  -0.210469  -0.153592  -0.209188
-    1SOL     H6    6  -0.192946  -0.235809  -0.083282
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/370/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003211  -0.005295   0.095520
-    0SOL     H3    3  -0.078278   0.049621  -0.023930
-    1SOL     O4    4   0.232162   0.124551  -0.092002
-    1SOL     H5    5   0.153610   0.074414  -0.070133
-    1SOL     H6    6   0.215841   0.211687  -0.055901
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/371/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081940  -0.034513  -0.035454
-    0SOL     H3    3  -0.002185   0.091188  -0.029023
-    1SOL     O4    4   0.216353  -0.138559  -0.147016
-    1SOL     H5    5   0.300588  -0.114922  -0.108181
-    1SOL     H6    6   0.207846  -0.232469  -0.130558
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/372/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.054790  -0.015008  -0.077040
-    0SOL     H3    3   0.083552  -0.041447  -0.021529
-    1SOL     O4    4  -0.023045  -0.029299  -0.284047
-    1SOL     H5    5  -0.080892   0.027873  -0.334520
-    1SOL     H6    6  -0.023876  -0.112341  -0.331646
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/373/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002850   0.094914   0.012066
-    0SOL     H3    3  -0.075774  -0.032647   0.048527
-    1SOL     O4    4  -0.019625   0.271029   0.064291
-    1SOL     H5    5   0.070596   0.302961   0.062616
-    1SOL     H6    6  -0.028837   0.229620   0.150097
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/374/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004510   0.032574   0.089894
-    0SOL     H3    3  -0.085253  -0.040844  -0.015031
-    1SOL     O4    4   0.007805   0.045414  -0.390552
-    1SOL     H5    5  -0.005838   0.136077  -0.363050
-    1SOL     H6    6  -0.077704   0.003848  -0.379469
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/375/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005896   0.006397  -0.095324
-    0SOL     H3    3  -0.005193  -0.093845   0.018122
-    1SOL     O4    4   0.233035   0.116853   0.076023
-    1SOL     H5    5   0.149453   0.077831   0.050455
-    1SOL     H6    6   0.226912   0.207858   0.046990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/376/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019230  -0.086558   0.036058
-    0SOL     H3    3   0.006937  -0.011405  -0.094785
-    1SOL     O4    4  -0.026524   0.022453  -0.278369
-    1SOL     H5    5  -0.093383   0.060942  -0.335034
-    1SOL     H6    6  -0.019693  -0.068431  -0.307622
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/377/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051319   0.071013  -0.038546
-    0SOL     H3    3  -0.088162   0.012253  -0.035208
-    1SOL     O4    4   0.041385  -0.287703  -0.114320
-    1SOL     H5    5   0.044096  -0.204214  -0.067580
-    1SOL     H6    6  -0.034369  -0.333292  -0.077642
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/378/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081811   0.041133  -0.027880
-    0SOL     H3    3  -0.013392  -0.093400  -0.016105
-    1SOL     O4    4   0.256437   0.117133  -0.037315
-    1SOL     H5    5   0.273908   0.132137  -0.130223
-    1SOL     H6    6   0.177343   0.063233  -0.036167
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004679   0.004465  -0.095501
-    0SOL     H3    3   0.070672  -0.062088   0.017689
-    1SOL     O4    4   0.158125  -0.180682   0.334081
-    1SOL     H5    5   0.166643  -0.163842   0.240240
-    1SOL     H6    6   0.173566  -0.274718   0.343086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/380/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.019475  -0.090613  -0.023922
-    0SOL     H3    3  -0.084136   0.045169  -0.006570
-    1SOL     O4    4  -0.225672   0.124887  -0.081112
-    1SOL     H5    5  -0.197284   0.110530  -0.171391
-    1SOL     H6    6  -0.217632   0.219386  -0.068166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/381/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084427  -0.029683  -0.033960
-    0SOL     H3    3  -0.063751  -0.060437  -0.038021
-    1SOL     O4    4  -0.016600  -0.010228   0.305602
-    1SOL     H5    5   0.075994   0.002873   0.326023
-    1SOL     H6    6  -0.020591  -0.008317   0.209984
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/382/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004809   0.009165   0.095159
-    0SOL     H3    3   0.068967   0.057499  -0.033163
-    1SOL     O4    4   0.233131   0.142985  -0.073107
-    1SOL     H5    5   0.234297   0.149093  -0.168625
-    1SOL     H6    6   0.223603   0.233474  -0.043387
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/383/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.023681  -0.033187   0.086603
-    0SOL     H3    3   0.082188   0.032917  -0.036385
-    1SOL     O4    4  -0.201666   0.077490  -0.162421
-    1SOL     H5    5  -0.184512   0.075955  -0.256579
-    1SOL     H6    6  -0.117097   0.057490  -0.122291
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/384/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078746  -0.027686  -0.046849
-    0SOL     H3    3   0.009015   0.092942  -0.021043
-    1SOL     O4    4   0.058991   0.265658  -0.095138
-    1SOL     H5    5   0.057624   0.226932  -0.182664
-    1SOL     H6    6  -0.029139   0.301045  -0.083173
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/385/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076824   0.056964  -0.003920
-    0SOL     H3    3   0.074537   0.059928  -0.003898
-    1SOL     O4    4  -0.004958  -0.262532   0.102200
-    1SOL     H5    5   0.000746  -0.177419   0.058776
-    1SOL     H6    6   0.077855  -0.305741   0.081287
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/386/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014372  -0.084701  -0.042209
-    0SOL     H3    3   0.078694   0.050579  -0.020280
-    1SOL     O4    4   0.019422   0.033916   0.281893
-    1SOL     H5    5   0.028255   0.039432   0.186742
-    1SOL     H6    6   0.103377   0.065141   0.315640
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/387/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069676   0.050145   0.042345
-    0SOL     H3    3   0.080307   0.029559   0.042888
-    1SOL     O4    4  -0.022528  -0.064815  -0.269329
-    1SOL     H5    5  -0.008776  -0.053952  -0.175227
-    1SOL     H6    6  -0.108626  -0.026286  -0.285606
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/388/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094342   0.008143   0.013987
-    0SOL     H3    3  -0.020308  -0.090085   0.025190
-    1SOL     O4    4  -0.234171   0.106465   0.069224
-    1SOL     H5    5  -0.242343   0.094155   0.163797
-    1SOL     H6    6  -0.140670   0.095938   0.051644
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/389/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000435  -0.034634  -0.089233
-    0SOL     H3    3  -0.066267  -0.051909   0.045568
-    1SOL     O4    4  -0.189691  -0.107418   0.162925
-    1SOL     H5    5  -0.212466  -0.100902   0.255667
-    1SOL     H6    6  -0.267362  -0.075683   0.116853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/390/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020960   0.009799  -0.092881
-    0SOL     H3    3   0.029134   0.081959   0.039953
-    1SOL     O4    4   0.045194   0.055603  -0.256968
-    1SOL     H5    5   0.117256   0.027063  -0.313137
-    1SOL     H6    6   0.030083   0.146804  -0.281797
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/391/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025526   0.016711   0.090728
-    0SOL     H3    3   0.060368  -0.074093   0.005312
-    1SOL     O4    4  -0.298410  -0.356658  -0.018748
-    1SOL     H5    5  -0.218783  -0.404003  -0.042836
-    1SOL     H6    6  -0.282934  -0.266992  -0.048460
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/392/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080011   0.044983   0.027150
-    0SOL     H3    3   0.002992  -0.084014   0.045771
-    1SOL     O4    4   0.148678   0.183735  -0.326671
-    1SOL     H5    5   0.060800   0.149489  -0.310328
-    1SOL     H6    6   0.141431   0.277618  -0.309475
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/393/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075965   0.057936  -0.005924
-    0SOL     H3    3   0.074191   0.055071  -0.025005
-    1SOL     O4    4   0.240701   0.114945  -0.070167
-    1SOL     H5    5   0.312977   0.072298  -0.024127
-    1SOL     H6    6   0.246625   0.206884  -0.044197
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/394/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020016  -0.019741   0.091499
-    0SOL     H3    3  -0.001723   0.095617  -0.004100
-    1SOL     O4    4   0.026443   0.024849   0.276696
-    1SOL     H5    5   0.022885   0.118617   0.295595
-    1SOL     H6    6   0.096175  -0.008396   0.333217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/395/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.053132  -0.065916  -0.044658
-    0SOL     H3    3   0.083991  -0.001769  -0.045878
-    1SOL     O4    4  -0.229977  -0.174627  -0.074801
-    1SOL     H5    5  -0.298462  -0.118110  -0.039053
-    1SOL     H6    6  -0.242005  -0.258278  -0.029853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/396/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074114  -0.052000  -0.031070
-    0SOL     H3    3  -0.012916   0.086209  -0.039540
-    1SOL     O4    4  -0.032229   0.049323   0.288157
-    1SOL     H5    5  -0.004055   0.063869   0.197842
-    1SOL     H6    6   0.038064  -0.002645   0.327151
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/397/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078989  -0.021619   0.049555
-    0SOL     H3    3  -0.024731  -0.082013  -0.042714
-    1SOL     O4    4  -0.013056  -0.280703  -0.117350
-    1SOL     H5    5  -0.013399  -0.285326  -0.212957
-    1SOL     H6    6  -0.096269  -0.320072  -0.091120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/398/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005912   0.093180  -0.021093
-    0SOL     H3    3   0.073987  -0.031687  -0.051810
-    1SOL     O4    4   0.265116  -0.023337  -0.092781
-    1SOL     H5    5   0.250471  -0.023939  -0.187373
-    1SOL     H6    6   0.291313  -0.113022  -0.071982
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/399/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001282   0.029403  -0.091083
-    0SOL     H3    3   0.060455   0.059963   0.043726
-    1SOL     O4    4   0.022402   0.059988  -0.283383
-    1SOL     H5    5  -0.056560   0.096781  -0.323051
-    1SOL     H6    6   0.093794   0.113661  -0.317801
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/400/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000675  -0.090011   0.032555
-    0SOL     H3    3   0.068828   0.044061   0.049836
-    1SOL     O4    4   0.016781  -0.019531   0.421857
-    1SOL     H5    5   0.013760  -0.051665   0.511972
-    1SOL     H6    6  -0.066381   0.026342   0.409936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/401/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020597   0.045273   0.081783
-    0SOL     H3    3  -0.073525   0.049063  -0.036731
-    1SOL     O4    4   0.235629   0.117082  -0.071493
-    1SOL     H5    5   0.152334   0.072035  -0.057526
-    1SOL     H6    6   0.298608   0.067990  -0.018710
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/402/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084363  -0.043498  -0.012378
-    0SOL     H3    3  -0.053196  -0.029307  -0.073984
-    1SOL     O4    4   0.194957   0.356671   0.284413
-    1SOL     H5    5   0.125283   0.309505   0.330056
-    1SOL     H6    6   0.185431   0.447423   0.313321
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/403/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.055637   0.035413  -0.069374
-    0SOL     H3    3   0.023766  -0.087520  -0.030623
-    1SOL     O4    4   0.081509  -0.253431  -0.049342
-    1SOL     H5    5   0.052615  -0.263263  -0.140066
-    1SOL     H6    6   0.155557  -0.313524  -0.041092
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/404/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017055  -0.078793  -0.051605
-    0SOL     H3    3  -0.061292   0.064967  -0.034424
-    1SOL     O4    4  -0.002710   0.054733   0.268195
-    1SOL     H5    5  -0.001824   0.035825   0.174365
-    1SOL     H6    6  -0.089897   0.090666   0.284613
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/405/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013093   0.003498  -0.094756
-    0SOL     H3    3   0.075597   0.046078   0.036390
-    1SOL     O4    4   0.004414  -0.272597   0.078022
-    1SOL     H5    5   0.003720  -0.272445   0.173739
-    1SOL     H6    6   0.008542  -0.180057   0.053905
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/406/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008285   0.001242   0.095353
-    0SOL     H3    3  -0.087416  -0.023145  -0.031386
-    1SOL     O4    4   0.041531  -0.010497   0.267791
-    1SOL     H5    5   0.123674  -0.055452   0.287639
-    1SOL     H6    6   0.061416   0.082334   0.280013
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/407/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080689  -0.042780  -0.028662
-    0SOL     H3    3  -0.069824  -0.059047  -0.028292
-    1SOL     O4    4   0.200306  -0.170596  -0.054162
-    1SOL     H5    5   0.232813  -0.196232  -0.140466
-    1SOL     H6    6   0.203531  -0.251066  -0.002427
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/408/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048761  -0.076237  -0.031187
-    0SOL     H3    3  -0.012989  -0.016388   0.093408
-    1SOL     O4    4  -0.026640  -0.037968   0.265605
-    1SOL     H5    5   0.024783  -0.086479   0.330139
-    1SOL     H6    6  -0.035331   0.049765   0.302884
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/409/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003732   0.007865   0.095323
-    0SOL     H3    3   0.081959  -0.043381  -0.023728
-    1SOL     O4    4   0.058980   0.276755  -0.063007
-    1SOL     H5    5   0.052261   0.186270  -0.032517
-    1SOL     H6    6  -0.018953   0.319782  -0.027829
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/410/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012909  -0.090161   0.029441
-    0SOL     H3    3   0.013656  -0.007321  -0.094458
-    1SOL     O4    4  -0.035354  -0.267972   0.075531
-    1SOL     H5    5   0.027854  -0.331886   0.042636
-    1SOL     H6    6  -0.120673  -0.303829   0.051093
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/411/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007406   0.019604   0.093398
-    0SOL     H3    3   0.032446   0.081144  -0.039055
-    1SOL     O4    4   0.059215   0.256021  -0.143818
-    1SOL     H5    5   0.032553   0.230486  -0.232132
-    1SOL     H6    6   0.138683   0.307785  -0.156765
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/412/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006960  -0.013764  -0.094469
-    0SOL     H3    3   0.087521   0.036683   0.012524
-    1SOL     O4    4   0.042006   0.457049   0.055691
-    1SOL     H5    5   0.045135   0.458777   0.151344
-    1SOL     H6    6   0.132354   0.440064   0.029027
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/413/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073542  -0.042208  -0.044411
-    0SOL     H3    3   0.074730  -0.014805  -0.057954
-    1SOL     O4    4   0.230818  -0.117064  -0.106206
-    1SOL     H5    5   0.294703  -0.068202  -0.054307
-    1SOL     H6    6   0.248965  -0.208922  -0.086325
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/414/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080714  -0.048017  -0.018495
-    0SOL     H3    3   0.017607   0.089090  -0.030253
-    1SOL     O4    4  -0.241137  -0.131574  -0.080883
-    1SOL     H5    5  -0.173322  -0.078711  -0.038822
-    1SOL     H6    6  -0.225487  -0.120491  -0.174662
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/415/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077607   0.054042   0.014797
-    0SOL     H3    3   0.073109   0.054525   0.029058
-    1SOL     O4    4  -0.234838   0.099867   0.065123
-    1SOL     H5    5  -0.305832   0.042722   0.035856
-    1SOL     H6    6  -0.248916   0.181829   0.017728
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004327  -0.084960   0.043879
-    0SOL     H3    3   0.005991  -0.020811  -0.093238
-    1SOL     O4    4  -0.013972  -0.068207  -0.276450
-    1SOL     H5    5  -0.087306  -0.009006  -0.293172
-    1SOL     H6    6   0.063305  -0.019239  -0.304608
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/417/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.023792   0.014602   0.091559
-    0SOL     H3    3   0.005167   0.086689  -0.040258
-    1SOL     O4    4  -0.197291  -0.101498  -0.111153
-    1SOL     H5    5  -0.121670  -0.061495  -0.068218
-    1SOL     H6    6  -0.163533  -0.132580  -0.195157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/418/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080090   0.048237   0.020520
-    0SOL     H3    3  -0.012702  -0.030493  -0.089840
-    1SOL     O4    4   0.193728   0.167016   0.100232
-    1SOL     H5    5   0.134156   0.239797   0.118020
-    1SOL     H6    6   0.137411   0.097846   0.065500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/419/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071685  -0.048215   0.041217
-    0SOL     H3    3   0.079370  -0.039659   0.035916
-    1SOL     O4    4  -0.194880  -0.183221   0.083559
-    1SOL     H5    5  -0.285102  -0.154247   0.070041
-    1SOL     H6    6  -0.190235  -0.268348   0.040037
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/420/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084560  -0.040701   0.018853
-    0SOL     H3    3   0.064606  -0.065132   0.027317
-    1SOL     O4    4   0.029863   0.259510   0.096479
-    1SOL     H5    5   0.110460   0.290792   0.055394
-    1SOL     H6    6   0.026341   0.166394   0.074585
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/421/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.066743  -0.051336  -0.045523
-    0SOL     H3    3   0.017112  -0.015395   0.092911
-    1SOL     O4    4   0.288885   0.286057   0.213031
-    1SOL     H5    5   0.292813   0.288818   0.117431
-    1SOL     H6    6   0.298011   0.377423   0.240074
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/422/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060266   0.005724  -0.074146
-    0SOL     H3    3  -0.023835   0.073838   0.056055
-    1SOL     O4    4   0.215330   0.136491  -0.124997
-    1SOL     H5    5   0.148460   0.085649  -0.079109
-    1SOL     H6    6   0.297227   0.113641  -0.081031
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/423/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057902   0.041178  -0.064140
-    0SOL     H3    3   0.023292  -0.084145  -0.039234
-    1SOL     O4    4   0.223071   0.133199  -0.044210
-    1SOL     H5    5   0.197256   0.222332  -0.020734
-    1SOL     H6    6   0.141278   0.083487  -0.043257
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/424/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001937  -0.000038  -0.095700
-    0SOL     H3    3  -0.014069  -0.091502   0.024325
-    1SOL     O4    4  -0.037624  -0.271109   0.065489
-    1SOL     H5    5  -0.120402  -0.312967   0.041864
-    1SOL     H6    6   0.029555  -0.333296   0.037522
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/425/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083384   0.029014  -0.036982
-    0SOL     H3    3   0.010244  -0.089823  -0.031452
-    1SOL     O4    4   0.153612   0.447927  -0.021205
-    1SOL     H5    5   0.145572   0.426077   0.071640
-    1SOL     H6    6   0.063410   0.450640  -0.053120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/426/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004134   0.089020  -0.034937
-    0SOL     H3    3  -0.086548  -0.036810  -0.017799
-    1SOL     O4    4  -0.245255  -0.171606  -0.020781
-    1SOL     H5    5  -0.306252  -0.130676   0.040590
-    1SOL     H6    6  -0.264996  -0.130766  -0.105070
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/427/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007698  -0.081849   0.049028
-    0SOL     H3    3   0.032617  -0.021248  -0.087447
-    1SOL     O4    4  -0.190452   0.156069   0.095936
-    1SOL     H5    5  -0.116894   0.110822   0.054654
-    1SOL     H6    6  -0.182971   0.246581   0.065706
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/428/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082863  -0.025051  -0.040847
-    0SOL     H3    3   0.011901  -0.020243   0.092795
-    1SOL     O4    4  -0.063009   0.249940  -0.105374
-    1SOL     H5    5  -0.116624   0.312810  -0.057051
-    1SOL     H6    6  -0.045875   0.179753  -0.042584
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/429/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063771   0.043585   0.056532
-    0SOL     H3    3  -0.078406   0.054610   0.005709
-    1SOL     O4    4  -0.227343   0.152602   0.021515
-    1SOL     H5    5  -0.305417   0.116420  -0.020409
-    1SOL     H6    6  -0.237139   0.247413   0.012725
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/430/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076857   0.042066  -0.038547
-    0SOL     H3    3  -0.006713  -0.083980  -0.045438
-    1SOL     O4    4   0.014067   0.027308   0.295693
-    1SOL     H5    5   0.020897   0.017782   0.200693
-    1SOL     H6    6  -0.065004  -0.021311   0.319065
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/431/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.067434   0.053133   0.042331
-    0SOL     H3    3   0.081444   0.025680   0.043241
-    1SOL     O4    4   0.253330   0.356429   0.005444
-    1SOL     H5    5   0.328230   0.380020   0.060178
-    1SOL     H6    6   0.278494   0.383803  -0.082759
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/432/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004736   0.014171  -0.094547
-    0SOL     H3    3  -0.084482   0.030489   0.033099
-    1SOL     O4    4  -0.073330   0.056169  -0.257658
-    1SOL     H5    5  -0.053452  -0.028757  -0.297088
-    1SOL     H6    6  -0.161255   0.077231  -0.289091
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/433/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003878  -0.007315  -0.095361
-    0SOL     H3    3   0.076557  -0.051760   0.024946
-    1SOL     O4    4  -0.263768  -0.180564   0.038122
-    1SOL     H5    5  -0.262582  -0.182050   0.133824
-    1SOL     H6    6  -0.204114  -0.109537   0.014483
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/434/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004833  -0.005116   0.095461
-    0SOL     H3    3   0.018207  -0.089720  -0.027950
-    1SOL     O4    4  -0.230671   0.065047  -0.117416
-    1SOL     H5    5  -0.149397   0.030759  -0.080251
-    1SOL     H6    6  -0.215306   0.066061  -0.211889
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/435/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080686  -0.022198   0.046469
-    0SOL     H3    3  -0.003799   0.095053  -0.010624
-    1SOL     O4    4   0.262091  -0.058244   0.042973
-    1SOL     H5    5   0.253949  -0.086218   0.134151
-    1SOL     H6    6   0.174054  -0.029544   0.018722
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/436/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016459   0.018287  -0.092504
-    0SOL     H3    3  -0.047225  -0.081479   0.017128
-    1SOL     O4    4  -0.082869   0.071988  -0.266821
-    1SOL     H5    5  -0.090988  -0.016989  -0.301165
-    1SOL     H6    6   0.000976   0.103267  -0.300791
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/437/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071845  -0.060508  -0.018423
-    0SOL     H3    3  -0.015627   0.029173   0.089817
-    1SOL     O4    4   0.035275  -0.014377   0.298261
-    1SOL     H5    5  -0.060166  -0.018364   0.292131
-    1SOL     H6    6   0.062936  -0.105941   0.301891
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/438/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042930   0.083825   0.017108
-    0SOL     H3    3   0.076431  -0.000022   0.057625
-    1SOL     O4    4   0.249660  -0.033513   0.100908
-    1SOL     H5    5   0.277877  -0.059343   0.188652
-    1SOL     H6    6   0.233824  -0.116256   0.055463
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/439/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006683   0.025418  -0.092041
-    0SOL     H3    3  -0.066392   0.052791   0.044357
-    1SOL     O4    4  -0.256176   0.159902   0.023334
-    1SOL     H5    5  -0.252737   0.155892   0.118909
-    1SOL     H6    6  -0.303019   0.080476  -0.002347
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/440/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080469   0.016140   0.049261
-    0SOL     H3    3  -0.070272   0.025289   0.059872
-    1SOL     O4    4  -0.018474  -0.265798   0.102447
-    1SOL     H5    5   0.069546  -0.299774   0.086306
-    1SOL     H6    6  -0.014935  -0.174888   0.072698
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/441/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006204  -0.086650  -0.040195
-    0SOL     H3    3   0.059189   0.048822  -0.057232
-    1SOL     O4    4  -0.247195   0.110042  -0.068197
-    1SOL     H5    5  -0.154828   0.088857  -0.054714
-    1SOL     H6    6  -0.247924   0.204141  -0.085721
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/442/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001280  -0.037638   0.088000
-    0SOL     H3    3   0.075960  -0.040167  -0.042178
-    1SOL     O4    4  -0.034818  -0.087385   0.260533
-    1SOL     H5    5  -0.126977  -0.112848   0.265065
-    1SOL     H6    6  -0.033429   0.003269   0.291230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/443/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012402  -0.091129   0.026534
-    0SOL     H3    3   0.045054   0.040633   0.074036
-    1SOL     O4    4  -0.224145   0.147279   0.063336
-    1SOL     H5    5  -0.157688   0.090551   0.024248
-    1SOL     H6    6  -0.200343   0.151851   0.155937
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/444/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.023847  -0.090671  -0.019298
-    0SOL     H3    3   0.056859   0.025821  -0.072544
-    1SOL     O4    4  -0.052808  -0.262926  -0.058593
-    1SOL     H5    5  -0.047816  -0.296855  -0.147958
-    1SOL     H6    6  -0.139348  -0.289611  -0.027590
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/445/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088410  -0.035586   0.008930
-    0SOL     H3    3   0.023503   0.028333   0.088358
-    1SOL     O4    4   0.191151  -0.130966  -0.141673
-    1SOL     H5    5   0.141186  -0.067050  -0.090873
-    1SOL     H6    6   0.157546  -0.215908  -0.113072
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/446/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081244  -0.042234   0.027892
-    0SOL     H3    3   0.005927   0.088899   0.034988
-    1SOL     O4    4  -0.232338  -0.123206   0.075853
-    1SOL     H5    5  -0.217846  -0.132049   0.170056
-    1SOL     H6    6  -0.157331  -0.072564   0.044683
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/447/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079252  -0.025122   0.047437
-    0SOL     H3    3  -0.069100  -0.053931   0.038457
-    1SOL     O4    4  -0.014274   0.014643  -0.297583
-    1SOL     H5    5   0.057821   0.077530  -0.300721
-    1SOL     H6    6  -0.032546   0.003719  -0.204260
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/448/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077564   0.050758  -0.023869
-    0SOL     H3    3   0.072470   0.062123  -0.007152
-    1SOL     O4    4  -0.150775   0.133326  -0.312559
-    1SOL     H5    5  -0.081413   0.081648  -0.353553
-    1SOL     H6    6  -0.135847   0.222574  -0.343774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/449/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029570  -0.029578   0.086099
-    0SOL     H3    3   0.079897   0.028555  -0.044311
-    1SOL     O4    4   0.032495  -0.085404   0.251339
-    1SOL     H5    5  -0.045750  -0.066059   0.302970
-    1SOL     H6    6   0.103019  -0.038823   0.296271
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/450/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036733   0.072652   0.050346
-    0SOL     H3    3  -0.083308   0.033491  -0.033174
-    1SOL     O4    4  -0.210427   0.119143  -0.113451
-    1SOL     H5    5  -0.236249   0.089988  -0.200890
-    1SOL     H6    6  -0.181454   0.209524  -0.125872
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/451/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011391  -0.000968  -0.095035
-    0SOL     H3    3  -0.088094  -0.034738   0.013967
-    1SOL     O4    4   0.187077  -0.152614   0.162218
-    1SOL     H5    5   0.157932  -0.072624   0.118462
-    1SOL     H6    6   0.280713  -0.157716   0.143020
-  3.000000   3.000000   3.000000
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-    6
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-    1SOL     H5    5   0.046744  -0.107018  -0.264425
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-    6
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-    0SOL     H3    3  -0.008112  -0.061462   0.072931
-    1SOL     O4    4   0.001252  -0.180875   0.196749
-    1SOL     H5    5  -0.007018  -0.196901   0.290755
-    1SOL     H6    6  -0.062593  -0.239846   0.156643
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-    6
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-    0SOL     H2    2  -0.066408  -0.043157   0.053756
-    0SOL     H3    3   0.083206  -0.024029   0.040764
-    1SOL     O4    4  -0.031175  -0.046836  -0.260748
-    1SOL     H5    5  -0.039018  -0.036578  -0.165903
-    1SOL     H6    6  -0.115821  -0.018204  -0.295064
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093597   0.018898  -0.006699
-    0SOL     H3    3   0.023186   0.024984   0.089446
-    1SOL     O4    4  -0.251135   0.055946  -0.012110
-    1SOL     H5    5  -0.268550   0.059693   0.081937
-    1SOL     H6    6  -0.326803   0.010162  -0.048723
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071643  -0.049582   0.039639
-    0SOL     H3    3  -0.064275  -0.066426  -0.024872
-    1SOL     O4    4  -0.065156   0.250702   0.093734
-    1SOL     H5    5  -0.159546   0.265063   0.100561
-    1SOL     H6    6  -0.055955   0.155947   0.083779
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/457/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073856   0.059838   0.011269
-    0SOL     H3    3  -0.020370  -0.048467  -0.079990
-    1SOL     O4    4  -0.282437   0.168654   0.229362
-    1SOL     H5    5  -0.363780   0.118403   0.233894
-    1SOL     H6    6  -0.308136   0.258016   0.252084
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000004   0.095562  -0.005491
-    0SOL     H3    3  -0.004447  -0.018650   0.093780
-    1SOL     O4    4  -0.072701   0.013315   0.268679
-    1SOL     H5    5  -0.161748   0.044791   0.284240
-    1SOL     H6    6  -0.062041  -0.059670   0.329686
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/459/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009125   0.080124   0.051567
-    0SOL     H3    3   0.082578  -0.046572   0.013203
-    1SOL     O4    4  -0.324330  -0.119516   0.032781
-    1SOL     H5    5  -0.348648  -0.190555  -0.026587
-    1SOL     H6    6  -0.228834  -0.123921   0.037629
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/460/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091671  -0.023877   0.013736
-    0SOL     H3    3   0.049636  -0.069359   0.043450
-    1SOL     O4    4   0.087464  -0.239779   0.096471
-    1SOL     H5    5   0.022183  -0.280904   0.039819
-    1SOL     H6    6   0.169618  -0.283511   0.074098
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/461/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000508   0.091766   0.027224
-    0SOL     H3    3  -0.044866   0.000299  -0.084554
-    1SOL     O4    4   0.018069   0.262013   0.075024
-    1SOL     H5    5  -0.024595   0.336630   0.032901
-    1SOL     H6    6   0.022747   0.286127   0.167538
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/462/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.089863   0.013693  -0.029989
-    0SOL     H3    3   0.006076  -0.073193   0.061385
-    1SOL     O4    4   0.229748   0.061248  -0.116615
-    1SOL     H5    5   0.301384   0.099606  -0.066027
-    1SOL     H6    6   0.272971   0.016913  -0.189613
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/463/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036619   0.040662  -0.078536
-    0SOL     H3    3  -0.094114   0.016331  -0.006178
-    1SOL     O4    4   0.115672  -0.162869   0.199441
-    1SOL     H5    5   0.089862  -0.093490   0.138756
-    1SOL     H6    6   0.203736  -0.187762   0.171380
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/464/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.048751  -0.066299   0.048889
-    0SOL     H3    3   0.091965  -0.020956   0.016299
-    1SOL     O4    4   0.217684  -0.173921   0.060589
-    1SOL     H5    5   0.255902  -0.123627   0.132507
-    1SOL     H6    6   0.217802  -0.264391   0.091853
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/465/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004903  -0.020152   0.093446
-    0SOL     H3    3  -0.093371  -0.004344  -0.020621
-    1SOL     O4    4  -0.322195   0.034662  -0.054672
-    1SOL     H5    5  -0.400500  -0.007357  -0.019106
-    1SOL     H6    6  -0.342421   0.048736  -0.147166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/466/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061293  -0.010748  -0.072732
-    0SOL     H3    3   0.086450  -0.010600  -0.039703
-    1SOL     O4    4  -0.112977  -0.006383  -0.241208
-    1SOL     H5    5  -0.107990   0.073330  -0.293964
-    1SOL     H6    6  -0.204230  -0.034339  -0.248531
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/467/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.023408   0.092615  -0.006072
-    0SOL     H3    3   0.036393  -0.021240  -0.085946
-    1SOL     O4    4  -0.021282   0.257127  -0.098182
-    1SOL     H5    5  -0.092462   0.250400  -0.161825
-    1SOL     H6    6   0.058068   0.240545  -0.149083
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/468/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.048330   0.012993   0.081595
-    0SOL     H3    3  -0.051966  -0.063911  -0.048757
-    1SOL     O4    4   0.266071  -0.005687  -0.065387
-    1SOL     H5    5   0.261929   0.085701  -0.037223
-    1SOL     H6    6   0.182387  -0.043107  -0.037835
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/469/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022126   0.000622  -0.093126
-    0SOL     H3    3  -0.078744  -0.054133   0.005597
-    1SOL     O4    4  -0.143958   0.060666   0.374986
-    1SOL     H5    5  -0.093347  -0.020297   0.381754
-    1SOL     H6    6  -0.078276   0.128966   0.361449
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/470/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082910  -0.043309  -0.020313
-    0SOL     H3    3  -0.065984  -0.068633  -0.009900
-    1SOL     O4    4  -0.171697  -0.239458  -0.015503
-    1SOL     H5    5  -0.215313  -0.194658  -0.087980
-    1SOL     H6    6  -0.242998  -0.266711   0.042253
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000623  -0.093253  -0.021585
-    0SOL     H3    3  -0.090310   0.017982   0.026135
-    1SOL     O4    4   0.252762   0.078124   0.068274
-    1SOL     H5    5   0.290584   0.003658   0.115036
-    1SOL     H6    6   0.165743   0.048215   0.041903
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017072  -0.018048  -0.092440
-    0SOL     H3    3  -0.037128   0.086989   0.014723
-    1SOL     O4    4  -0.039913   0.272187   0.095633
-    1SOL     H5    5  -0.119974   0.302457   0.052780
-    1SOL     H6    6   0.028286   0.331154   0.063475
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049495  -0.005815  -0.081723
-    0SOL     H3    3  -0.057205  -0.076738  -0.001076
-    1SOL     O4    4  -0.207605  -0.156290   0.088522
-    1SOL     H5    5  -0.300972  -0.143442   0.071788
-    1SOL     H6    6  -0.200117  -0.248455   0.113256
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018555   0.093709   0.006054
-    0SOL     H3    3  -0.083077  -0.011052   0.046243
-    1SOL     O4    4   0.084191  -0.183223   0.378421
-    1SOL     H5    5   0.026051  -0.238417   0.326117
-    1SOL     H6    6   0.026171  -0.118545   0.418580
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007985  -0.043640   0.084818
-    0SOL     H3    3   0.087113  -0.024278  -0.031374
-    1SOL     O4    4  -0.022872   0.297941   0.076324
-    1SOL     H5    5   0.047675   0.361083   0.090416
-    1SOL     H6    6   0.022005   0.214613   0.062014
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074773   0.050060  -0.032639
-    0SOL     H3    3   0.046784   0.061104   0.056920
-    1SOL     O4    4   0.064059  -0.151598  -0.336233
-    1SOL     H5    5   0.014787  -0.212194  -0.280891
-    1SOL     H6    6   0.144364  -0.198904  -0.358042
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042136   0.085582  -0.007913
-    0SOL     H3    3   0.010984  -0.012722   0.094233
-    1SOL     O4    4  -0.252064  -0.170024  -0.015518
-    1SOL     H5    5  -0.282802  -0.184545   0.073961
-    1SOL     H6    6  -0.165762  -0.129966  -0.005044
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032259   0.054477   0.071791
-    0SOL     H3    3   0.024920   0.047528  -0.079262
-    1SOL     O4    4   0.119629   0.148668  -0.214193
-    1SOL     H5    5   0.082536   0.111619  -0.294279
-    1SOL     H6    6   0.212784   0.127123  -0.218688
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.086682  -0.000488  -0.040598
-    0SOL     H3    3  -0.017224  -0.011169   0.093493
-    1SOL     O4    4  -0.214956  -0.006886  -0.134917
-    1SOL     H5    5  -0.273956   0.001627  -0.060025
-    1SOL     H6    6  -0.207751  -0.101262  -0.149186
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065376   0.048784   0.050085
-    0SOL     H3    3  -0.025989   0.011875  -0.091356
-    1SOL     O4    4  -0.026034   0.361582   0.003687
-    1SOL     H5    5  -0.088490   0.290559   0.018433
-    1SOL     H6    6  -0.063391   0.436434   0.050205
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080343   0.051731  -0.005590
-    0SOL     H3    3  -0.028647  -0.085398   0.032386
-    1SOL     O4    4  -0.196846  -0.188110   0.058695
-    1SOL     H5    5  -0.248705  -0.264657   0.033928
-    1SOL     H6    6  -0.257253  -0.114367   0.050017
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025248   0.024205  -0.089101
-    0SOL     H3    3  -0.018733   0.077969   0.052271
-    1SOL     O4    4   0.030064  -0.239797   0.122105
-    1SOL     H5    5  -0.058810  -0.261015   0.093582
-    1SOL     H6    6   0.048989  -0.155475   0.080947
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/483/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031226   0.084158  -0.033236
-    0SOL     H3    3  -0.042116  -0.041416  -0.075321
-    1SOL     O4    4   0.095298  -0.177966   0.241425
-    1SOL     H5    5   0.038273  -0.230164   0.184982
-    1SOL     H6    6   0.098700  -0.092095   0.199273
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.025598   0.092227  -0.001071
-    0SOL     H3    3   0.059857  -0.042237  -0.061607
-    1SOL     O4    4   0.118219   0.258916  -0.051970
-    1SOL     H5    5   0.205150   0.247338  -0.013614
-    1SOL     H6    6   0.091146   0.346394  -0.024097
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/485/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.062475  -0.033562  -0.064287
-    0SOL     H3    3   0.054123   0.027294   0.074081
-    1SOL     O4    4   0.232831  -0.098547  -0.166128
-    1SOL     H5    5   0.305423  -0.060317  -0.215436
-    1SOL     H6    6   0.240799  -0.192787  -0.180877
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/486/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006713  -0.031506  -0.090137
-    0SOL     H3    3  -0.016302   0.094118  -0.006198
-    1SOL     O4    4   0.148848   0.405577   0.077794
-    1SOL     H5    5   0.169277   0.494309   0.048270
-    1SOL     H6    6   0.087902   0.371872   0.012129
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/487/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.042902  -0.081920   0.024714
-    0SOL     H3    3   0.053791   0.034750  -0.071143
-    1SOL     O4    4   0.159941  -0.259192   0.042110
-    1SOL     H5    5   0.170182  -0.251305   0.136953
-    1SOL     H6    6   0.076747  -0.305135   0.030694
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/488/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017631  -0.025748  -0.090490
-    0SOL     H3    3   0.095431  -0.001620   0.007253
-    1SOL     O4    4   0.055667  -0.266091   0.034413
-    1SOL     H5    5   0.066073  -0.268451   0.129537
-    1SOL     H6    6   0.022190  -0.178305   0.016104
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.046137  -0.078286  -0.030082
-    0SOL     H3    3  -0.069284   0.064171   0.015624
-    1SOL     O4    4   0.080924  -0.057449   0.257317
-    1SOL     H5    5   0.025222   0.000696   0.309074
-    1SOL     H6    6   0.062979  -0.033268   0.166456
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/490/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064423   0.062936   0.032421
-    0SOL     H3    3   0.082333   0.048782  -0.001949
-    1SOL     O4    4  -0.057280  -0.260651   0.085899
-    1SOL     H5    5  -0.032793  -0.245023   0.177105
-    1SOL     H6    6  -0.058070  -0.173640   0.046016
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/491/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083100  -0.025174   0.040286
-    0SOL     H3    3   0.014234   0.089656  -0.030357
-    1SOL     O4    4  -0.237566  -0.161049   0.092538
-    1SOL     H5    5  -0.209408  -0.252234   0.099940
-    1SOL     H6    6  -0.156444  -0.111831   0.079924
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/492/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000687  -0.054747  -0.078515
-    0SOL     H3    3  -0.009781  -0.061803   0.072437
-    1SOL     O4    4  -0.006632   0.253545   0.122693
-    1SOL     H5    5   0.002784   0.174686   0.069261
-    1SOL     H6    6  -0.039372   0.319905   0.061975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/493/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073810  -0.023963   0.056038
-    0SOL     H3    3  -0.010620   0.094198   0.013276
-    1SOL     O4    4   0.374988  -0.088161  -0.168345
-    1SOL     H5    5   0.331135  -0.123349  -0.245811
-    1SOL     H6    6   0.460532  -0.059357  -0.200201
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/494/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071616  -0.037953   0.050921
-    0SOL     H3    3  -0.010824   0.094563   0.010146
-    1SOL     O4    4  -0.047214   0.254042   0.067326
-    1SOL     H5    5  -0.085393   0.248940   0.154953
-    1SOL     H6    6  -0.116516   0.291726   0.013109
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/495/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025374   0.043491  -0.081406
-    0SOL     H3    3   0.069232  -0.060832  -0.025860
-    1SOL     O4    4   0.148570  -0.206534  -0.128914
-    1SOL     H5    5   0.187796  -0.257166  -0.057780
-    1SOL     H6    6   0.129632  -0.271264  -0.196839
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/496/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000420   0.053917   0.079089
-    0SOL     H3    3   0.088414   0.009891  -0.035319
-    1SOL     O4    4  -0.228582  -0.104866  -0.103937
-    1SOL     H5    5  -0.136663  -0.082417  -0.089473
-    1SOL     H6    6  -0.277383  -0.031637  -0.066277
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/497/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073978  -0.029237  -0.053243
-    0SOL     H3    3  -0.037782   0.017049   0.086280
-    1SOL     O4    4  -0.215344  -0.085620  -0.137415
-    1SOL     H5    5  -0.261319  -0.156331  -0.092153
-    1SOL     H6    6  -0.209557  -0.115075  -0.228306
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/498/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072086   0.050927   0.037046
-    0SOL     H3    3  -0.013605  -0.071268   0.062435
-    1SOL     O4    4  -0.201218   0.169835   0.068715
-    1SOL     H5    5  -0.120461   0.127344   0.039818
-    1SOL     H6    6  -0.186629   0.262958   0.052053
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/499/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063403   0.062464   0.035223
-    0SOL     H3    3  -0.085304   0.036946   0.022815
-    1SOL     O4    4  -0.264710   0.052507   0.091540
-    1SOL     H5    5  -0.318330   0.063802   0.013056
-    1SOL     H6    6  -0.260654   0.139800   0.130601
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/500/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013523   0.093555  -0.015062
-    0SOL     H3    3  -0.026829  -0.041620  -0.081916
-    1SOL     O4    4  -0.217348   0.133574  -0.320394
-    1SOL     H5    5  -0.169399   0.050870  -0.315574
-    1SOL     H6    6  -0.225023   0.151437  -0.414119
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/501/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010816   0.092159  -0.023494
-    0SOL     H3    3  -0.085815  -0.023801  -0.035093
-    1SOL     O4    4   0.339308   0.036827  -0.220048
-    1SOL     H5    5   0.333035   0.080883  -0.135300
-    1SOL     H6    6   0.295159  -0.047066  -0.206810
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/502/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009013  -0.025191   0.091905
-    0SOL     H3    3   0.052822   0.079799   0.002058
-    1SOL     O4    4   0.009983  -0.060807   0.265733
-    1SOL     H5    5  -0.079160  -0.041843   0.294995
-    1SOL     H6    6   0.059260   0.018769   0.285776
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/503/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094248  -0.016503  -0.002695
-    0SOL     H3    3   0.008200   0.085455   0.042339
-    1SOL     O4    4   0.203826  -0.167613  -0.162159
-    1SOL     H5    5   0.144414  -0.094972  -0.143294
-    1SOL     H6    6   0.179713  -0.196063  -0.250315
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/504/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072566   0.009869   0.061637
-    0SOL     H3    3  -0.042203  -0.016520  -0.084311
-    1SOL     O4    4  -0.221157  -0.114152  -0.192982
-    1SOL     H5    5  -0.296952  -0.056524  -0.183153
-    1SOL     H6    6  -0.258440  -0.202156  -0.198225
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/505/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.023003  -0.088121  -0.029459
-    0SOL     H3    3  -0.080067   0.021206  -0.047978
-    1SOL     O4    4   0.162942   0.260644  -0.099021
-    1SOL     H5    5   0.135715   0.173509  -0.070238
-    1SOL     H6    6   0.118272   0.320681  -0.039336
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/506/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065992  -0.027140   0.063802
-    0SOL     H3    3  -0.035196   0.080396  -0.038210
-    1SOL     O4    4  -0.225976  -0.036453   0.151471
-    1SOL     H5    5  -0.303236   0.018414   0.164994
-    1SOL     H6    6  -0.259929  -0.125945   0.150716
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/507/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022994  -0.091504  -0.016144
-    0SOL     H3    3  -0.067672   0.050136  -0.045488
-    1SOL     O4    4   0.247144   0.021646  -0.141547
-    1SOL     H5    5   0.307968  -0.045999  -0.111766
-    1SOL     H6    6   0.176913   0.021088  -0.076512
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/508/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.059065   0.060864   0.044376
-    0SOL     H3    3   0.078060   0.051980  -0.019160
-    1SOL     O4    4  -0.214926   0.194570   0.085299
-    1SOL     H5    5  -0.303603   0.160611   0.097356
-    1SOL     H6    6  -0.226159   0.271937   0.030068
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/509/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029849  -0.054413   0.072874
-    0SOL     H3    3   0.078381   0.014092  -0.053105
-    1SOL     O4    4  -0.002650  -0.092205   0.254720
-    1SOL     H5    5   0.080769  -0.055943   0.284530
-    1SOL     H6    6   0.017494  -0.182877   0.231588
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/510/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009919  -0.092179   0.023810
-    0SOL     H3    3  -0.020248  -0.001421  -0.093543
-    1SOL     O4    4   0.097323   0.007435  -0.300133
-    1SOL     H5    5   0.185652  -0.029163  -0.295563
-    1SOL     H6    6   0.110301   0.098016  -0.328223
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/511/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.085347   0.016899  -0.039909
-    0SOL     H3    3   0.017067  -0.067847   0.065328
-    1SOL     O4    4   0.032852  -0.203169   0.181125
-    1SOL     H5    5   0.087872  -0.266312   0.134778
-    1SOL     H6    6  -0.025684  -0.256940   0.234459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/512/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048237   0.009127   0.082171
-    0SOL     H3    3  -0.042640  -0.085446   0.006567
-    1SOL     O4    4   0.052304   0.076229   0.274704
-    1SOL     H5    5   0.082350  -0.005398   0.314660
-    1SOL     H6    6   0.110933   0.143194   0.309927
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/513/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082202   0.044936   0.019645
-    0SOL     H3    3   0.002974  -0.015272  -0.094447
-    1SOL     O4    4   0.096826  -0.056266  -0.264409
-    1SOL     H5    5   0.148485   0.004966  -0.316796
-    1SOL     H6    6   0.161813  -0.112165  -0.221813
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/514/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.051564   0.034464   0.072909
-    0SOL     H3    3  -0.065118  -0.031945  -0.062462
-    1SOL     O4    4   0.237297  -0.136487   0.073594
-    1SOL     H5    5   0.222403  -0.229827   0.088701
-    1SOL     H6    6   0.158278  -0.106545   0.028630
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/515/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.059843   0.065671   0.035615
-    0SOL     H3    3   0.031108  -0.082966   0.036212
-    1SOL     O4    4   0.253747  -0.044807   0.178196
-    1SOL     H5    5   0.275400  -0.121932   0.230592
-    1SOL     H6    6   0.336441  -0.019810   0.136975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/516/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.067224  -0.055106  -0.040082
-    0SOL     H3    3  -0.009054   0.084612  -0.043831
-    1SOL     O4    4  -0.181507  -0.084852  -0.203030
-    1SOL     H5    5  -0.181833  -0.005148  -0.256034
-    1SOL     H6    6  -0.268571  -0.087642  -0.163352
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/517/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.040380  -0.061779   0.060952
-    0SOL     H3    3  -0.048559   0.081498   0.012745
-    1SOL     O4    4  -0.157865  -0.157509   0.164963
-    1SOL     H5    5  -0.124040  -0.134143   0.251405
-    1SOL     H6    6  -0.111582  -0.238107   0.142065
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/518/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.043945  -0.047170   0.070754
-    0SOL     H3    3   0.055362  -0.014743  -0.076681
-    1SOL     O4    4  -0.047615   0.276355   0.054877
-    1SOL     H5    5  -0.036388   0.181317   0.052875
-    1SOL     H6    6  -0.121404   0.290560   0.114171
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/519/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006898  -0.015223  -0.094250
-    0SOL     H3    3  -0.023192   0.092546   0.007728
-    1SOL     O4    4  -0.164385  -0.220671   0.073150
-    1SOL     H5    5  -0.117114  -0.140436   0.051010
-    1SOL     H6    6  -0.229033  -0.193262   0.138202
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/520/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.055170   0.078214  -0.001043
-    0SOL     H3    3   0.058198   0.012680   0.074930
-    1SOL     O4    4   0.198264  -0.037407   0.199648
-    1SOL     H5    5   0.193464  -0.083989   0.283131
-    1SOL     H6    6   0.291555  -0.036028   0.178265
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/521/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072641  -0.033771  -0.052394
-    0SOL     H3    3  -0.010615  -0.041756   0.085476
-    1SOL     O4    4  -0.074202  -0.120726   0.273339
-    1SOL     H5    5  -0.081932  -0.214559   0.256074
-    1SOL     H6    6  -0.162737  -0.093365   0.297327
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/522/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006188   0.007850   0.095197
-    0SOL     H3    3  -0.054507   0.071177  -0.033543
-    1SOL     O4    4   0.035281  -0.229456  -0.159174
-    1SOL     H5    5  -0.016462  -0.305562  -0.132851
-    1SOL     H6    6   0.004247  -0.158651  -0.102730
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/523/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.033916  -0.086657  -0.022417
-    0SOL     H3    3  -0.073053   0.043803   0.043668
-    1SOL     O4    4   0.035407  -0.215203  -0.182387
-    1SOL     H5    5  -0.014298  -0.206202  -0.263693
-    1SOL     H6    6  -0.007134  -0.287397  -0.136120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/524/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011718   0.092136   0.023149
-    0SOL     H3    3  -0.061379  -0.046934   0.056499
-    1SOL     O4    4  -0.176524  -0.081947   0.348994
-    1SOL     H5    5  -0.224667  -0.067591   0.267517
-    1SOL     H6    6  -0.194192  -0.173283   0.371534
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.038718   0.034301   0.080540
-    0SOL     H3    3  -0.005548   0.075829  -0.058150
-    1SOL     O4    4   0.308634   0.200772  -0.141816
-    1SOL     H5    5   0.364945   0.134651  -0.101574
-    1SOL     H6    6   0.285844   0.259812  -0.070003
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/526/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.027709   0.053048  -0.074702
-    0SOL     H3    3  -0.027624  -0.083149  -0.038542
-    1SOL     O4    4   0.115590   0.067407  -0.251647
-    1SOL     H5    5   0.148976   0.150951  -0.284329
-    1SOL     H6    6   0.178138   0.002397  -0.283645
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/527/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028200   0.090513  -0.013210
-    0SOL     H3    3   0.084267  -0.005699  -0.045042
-    1SOL     O4    4  -0.113723   0.244514  -0.095272
-    1SOL     H5    5  -0.146854   0.263325  -0.183084
-    1SOL     H6    6  -0.185591   0.268632  -0.036830
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/528/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044817  -0.076770  -0.035497
-    0SOL     H3    3   0.069925   0.053149   0.038052
-    1SOL     O4    4   0.190683   0.127598   0.167525
-    1SOL     H5    5   0.121930   0.151066   0.229853
-    1SOL     H6    6   0.215570   0.038390   0.191711
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/529/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030008   0.066742   0.061704
-    0SOL     H3    3  -0.011723  -0.078548   0.053434
-    1SOL     O4    4   0.089892   0.221455   0.134423
-    1SOL     H5    5   0.052935   0.226798   0.222559
-    1SOL     H6    6   0.177286   0.184572   0.147241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/530/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004432   0.064352  -0.070721
-    0SOL     H3    3  -0.087285   0.001441   0.039263
-    1SOL     O4    4  -0.070120  -0.261388  -0.106386
-    1SOL     H5    5  -0.037725  -0.175934  -0.077919
-    1SOL     H6    6  -0.094812  -0.305912  -0.025328
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/531/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.053256   0.076164   0.022918
-    0SOL     H3    3   0.089316   0.025252   0.023394
-    1SOL     O4    4  -0.186026   0.206610   0.064549
-    1SOL     H5    5  -0.215592   0.297487   0.059108
-    1SOL     H6    6  -0.222608   0.174362   0.146914
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/532/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018833   0.093587   0.007007
-    0SOL     H3    3  -0.080616  -0.042915   0.028664
-    1SOL     O4    4   0.123731  -0.045574  -0.227059
-    1SOL     H5    5   0.202438  -0.095465  -0.205185
-    1SOL     H6    6   0.084672  -0.024018  -0.142371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/533/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060693  -0.001258   0.074007
-    0SOL     H3    3   0.081432   0.034798   0.036334
-    1SOL     O4    4   0.205265   0.141051   0.214394
-    1SOL     H5    5   0.238538   0.228756   0.195340
-    1SOL     H6    6   0.192074   0.140459   0.309199
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/534/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085075  -0.026359  -0.035067
-    0SOL     H3    3   0.023423   0.078150  -0.050062
-    1SOL     O4    4   0.130450  -0.235196   0.059659
-    1SOL     H5    5   0.214092  -0.236124   0.013125
-    1SOL     H6    6   0.099937  -0.144762   0.052377
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/535/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.035684   0.062094   0.063508
-    0SOL     H3    3   0.076011  -0.049634  -0.030352
-    1SOL     O4    4  -0.125412  -0.286590   0.204496
-    1SOL     H5    5  -0.142101  -0.280581   0.110434
-    1SOL     H6    6  -0.161526  -0.205585   0.240500
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/536/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.046710   0.082231  -0.014782
-    0SOL     H3    3  -0.046859  -0.064151  -0.053396
-    1SOL     O4    4   0.208275   0.019245  -0.162954
-    1SOL     H5    5   0.145388   0.032731  -0.092062
-    1SOL     H6    6   0.276652   0.084323  -0.147082
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/537/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049863  -0.041272   0.070517
-    0SOL     H3    3   0.042523  -0.030140  -0.080285
-    1SOL     O4    4  -0.043633   0.176722  -0.365194
-    1SOL     H5    5  -0.056898   0.140654  -0.452860
-    1SOL     H6    6   0.016469   0.115419  -0.322862
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/538/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024414  -0.088633  -0.026656
-    0SOL     H3    3   0.022658  -0.008185   0.092639
-    1SOL     O4    4  -0.164927  -0.213012  -0.105454
-    1SOL     H5    5  -0.220291  -0.134954  -0.103434
-    1SOL     H6    6  -0.197213  -0.267203  -0.033459
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/539/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.050403   0.023468  -0.077917
-    0SOL     H3    3   0.033244  -0.087839  -0.018479
-    1SOL     O4    4   0.331906   0.223305  -0.164664
-    1SOL     H5    5   0.417277   0.262270  -0.145801
-    1SOL     H6    6   0.331779   0.140984  -0.115823
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/540/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092581   0.001042   0.024288
-    0SOL     H3    3  -0.039768   0.068236   0.054080
-    1SOL     O4    4  -0.069250  -0.273728  -0.017546
-    1SOL     H5    5  -0.032044  -0.186230  -0.006494
-    1SOL     H6    6  -0.163759  -0.260799  -0.009598
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/541/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079839   0.039315   0.035248
-    0SOL     H3    3  -0.058333   0.074223  -0.015829
-    1SOL     O4    4   0.148568   0.205006   0.102865
-    1SOL     H5    5   0.125159   0.290010   0.140131
-    1SOL     H6    6   0.214457   0.169872   0.162752
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/542/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.089168   0.032403   0.012708
-    0SOL     H3    3  -0.022766   0.026682  -0.089063
-    1SOL     O4    4  -0.079347   0.379486  -0.149611
-    1SOL     H5    5   0.011292   0.348716  -0.149661
-    1SOL     H6    6  -0.074052   0.469793  -0.180898
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/543/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094071  -0.004149   0.017198
-    0SOL     H3    3   0.014298   0.088305  -0.034061
-    1SOL     O4    4   0.113834   0.064303   0.226160
-    1SOL     H5    5   0.098601   0.047140   0.133232
-    1SOL     H6    6   0.184403   0.128963   0.227369
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/544/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073895   0.024019  -0.055901
-    0SOL     H3    3  -0.009496   0.055426   0.077460
-    1SOL     O4    4   0.144992   0.109217   0.234360
-    1SOL     H5    5   0.163318   0.190501   0.281471
-    1SOL     H6    6   0.227339   0.087805   0.190510
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/545/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057916   0.073226   0.021121
-    0SOL     H3    3  -0.015530  -0.016848  -0.092937
-    1SOL     O4    4  -0.188607   0.198796  -0.020884
-    1SOL     H5    5  -0.130298   0.270099  -0.046925
-    1SOL     H6    6  -0.276454   0.236417  -0.026357
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/546/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016897   0.067819  -0.065402
-    0SOL     H3    3   0.017794   0.048355   0.080669
-    1SOL     O4    4   0.075105   0.079459   0.266593
-    1SOL     H5    5  -0.016358   0.090681   0.292494
-    1SOL     H6    6   0.112966   0.167092   0.273629
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/547/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082648   0.041162  -0.025245
-    0SOL     H3    3   0.042639  -0.021132  -0.083053
-    1SOL     O4    4   0.162248  -0.091620  -0.196185
-    1SOL     H5    5   0.228909  -0.027449  -0.171676
-    1SOL     H6    6   0.146392  -0.075427  -0.289184
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/548/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.067654   0.024079  -0.063289
-    0SOL     H3    3   0.079004  -0.011956  -0.052705
-    1SOL     O4    4   0.022295   0.108092   0.262205
-    1SOL     H5    5   0.037047   0.103581   0.167737
-    1SOL     H6    6  -0.058437   0.158672   0.271499
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/549/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081009   0.049882  -0.010569
-    0SOL     H3    3   0.067845   0.056198  -0.037432
-    1SOL     O4    4   0.227443   0.142192  -0.071906
-    1SOL     H5    5   0.279205   0.105174  -0.143408
-    1SOL     H6    6   0.266384   0.105444   0.007438
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/550/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092244  -0.024976  -0.005432
-    0SOL     H3    3  -0.009570   0.037597   0.087505
-    1SOL     O4    4  -0.133348   0.173404  -0.179074
-    1SOL     H5    5  -0.124140   0.138117  -0.267574
-    1SOL     H6    6  -0.088575   0.109922  -0.123148
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/551/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.014985   0.017226  -0.092957
-    0SOL     H3    3   0.077410  -0.056274   0.001805
-    1SOL     O4    4  -0.314627  -0.156340  -0.241043
-    1SOL     H5    5  -0.255115  -0.231188  -0.245321
-    1SOL     H6    6  -0.281046  -0.095202  -0.306593
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/552/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.057323  -0.067974  -0.035439
-    0SOL     H3    3   0.037722   0.082094  -0.031623
-    1SOL     O4    4   0.191968  -0.281434   0.140871
-    1SOL     H5    5   0.109052  -0.237121   0.122880
-    1SOL     H6    6   0.258599  -0.223789   0.103458
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/553/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.054086  -0.045830  -0.064317
-    0SOL     H3    3   0.089994  -0.020567  -0.025307
-    1SOL     O4    4  -0.154044  -0.147159  -0.194870
-    1SOL     H5    5  -0.176223  -0.078717  -0.258006
-    1SOL     H6    6  -0.236647  -0.192843  -0.178991
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/554/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081045   0.047769   0.017666
-    0SOL     H3    3  -0.063448   0.036817   0.061491
-    1SOL     O4    4  -0.074294   0.097184  -0.256888
-    1SOL     H5    5  -0.050328   0.058499  -0.172678
-    1SOL     H6    6  -0.017537   0.173822  -0.265114
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/555/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.019542  -0.078635   0.050960
-    0SOL     H3    3  -0.027205   0.072466   0.056310
-    1SOL     O4    4  -0.067815   0.225780   0.147174
-    1SOL     H5    5  -0.060207   0.211983   0.241589
-    1SOL     H6    6  -0.034741   0.314502   0.133144
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/556/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.030327  -0.042464   0.080246
-    0SOL     H3    3  -0.080274   0.025719  -0.045354
-    1SOL     O4    4   0.191866   0.179031   0.031904
-    1SOL     H5    5   0.123484   0.113406   0.045303
-    1SOL     H6    6   0.225199   0.161341  -0.056064
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/557/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017138   0.055628   0.075988
-    0SOL     H3    3  -0.083397  -0.043810  -0.016968
-    1SOL     O4    4   0.201269  -0.225249   0.066691
-    1SOL     H5    5   0.118472  -0.179983   0.082752
-    1SOL     H6    6   0.191989  -0.309050   0.112008
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/558/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090788  -0.014476   0.026651
-    0SOL     H3    3   0.051931  -0.028786   0.075079
-    1SOL     O4    4  -0.260630   0.002486   0.094936
-    1SOL     H5    5  -0.262710   0.019222   0.189158
-    1SOL     H6    6  -0.349639  -0.025490   0.073560
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/559/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.043688  -0.056241   0.063958
-    0SOL     H3    3  -0.087633  -0.037444  -0.008983
-    1SOL     O4    4   0.094086  -0.162231   0.226112
-    1SOL     H5    5   0.182237  -0.125515   0.232714
-    1SOL     H6    6   0.102436  -0.251071   0.260755
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/560/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005420  -0.024381  -0.092404
-    0SOL     H3    3   0.059981  -0.064049   0.038241
-    1SOL     O4    4  -0.085438   0.255289   0.070194
-    1SOL     H5    5  -0.072284   0.239729   0.163720
-    1SOL     H6    6  -0.081564   0.168227   0.030602
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/561/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074493  -0.005196   0.059885
-    0SOL     H3    3  -0.030876   0.090260   0.007880
-    1SOL     O4    4  -0.209002   0.048943  -0.260175
-    1SOL     H5    5  -0.216577   0.142011  -0.281228
-    1SOL     H6    6  -0.281550   0.031948  -0.200089
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-    6
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-    0SOL     H3    3  -0.088967  -0.029829  -0.018905
-    1SOL     O4    4  -0.001376   0.233566  -0.182126
-    1SOL     H5    5  -0.029464   0.218316  -0.272352
-    1SOL     H6    6  -0.081369   0.258853  -0.136038
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048518   0.072698  -0.039029
-    0SOL     H3    3  -0.041122  -0.044073  -0.074356
-    1SOL     O4    4  -0.048426  -0.252420   0.206512
-    1SOL     H5    5  -0.008876  -0.294521   0.282838
-    1SOL     H6    6  -0.085335  -0.324653   0.155696
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017747  -0.021142   0.091653
-    0SOL     H3    3  -0.036605  -0.080537  -0.036554
-    1SOL     O4    4  -0.120164   0.229349  -0.034469
-    1SOL     H5    5  -0.213493   0.226475  -0.055534
-    1SOL     H6    6  -0.100054   0.141389  -0.002517
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/565/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005551  -0.095432   0.004929
-    0SOL     H3    3   0.090622   0.017489  -0.025380
-    1SOL     O4    4  -0.049497   0.151209  -0.246888
-    1SOL     H5    5  -0.040434   0.097426  -0.168227
-    1SOL     H6    6  -0.135081   0.193062  -0.237614
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/566/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.054230  -0.017759  -0.076851
-    0SOL     H3    3   0.030204  -0.086240   0.028507
-    1SOL     O4    4   0.071276   0.272224  -0.000671
-    1SOL     H5    5   0.058538   0.177598   0.006110
-    1SOL     H6    6   0.121590   0.283952  -0.081251
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-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/567/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047683   0.074538  -0.036505
-    0SOL     H3    3  -0.061975  -0.072793  -0.004755
-    1SOL     O4    4  -0.154967  -0.218399  -0.066756
-    1SOL     H5    5  -0.162356  -0.232145  -0.161195
-    1SOL     H6    6  -0.244858  -0.224721  -0.034478
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.092681  -0.007980  -0.022558
-    0SOL     H3    3   0.046386  -0.030973  -0.077790
-    1SOL     O4    4  -0.281562   0.013153  -0.039172
-    1SOL     H5    5  -0.334434   0.089152  -0.014862
-    1SOL     H6    6  -0.344668  -0.049842  -0.073980
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/569/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089313  -0.033054  -0.009643
-    0SOL     H3    3   0.049535  -0.074364   0.034329
-    1SOL     O4    4   0.104525   0.251343   0.004345
-    1SOL     H5    5   0.070153   0.162933  -0.008479
-    1SOL     H6    6   0.199575   0.241052  -0.000335
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/570/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.062306   0.062037   0.037838
-    0SOL     H3    3   0.046200  -0.036622   0.075410
-    1SOL     O4    4  -0.175895  -0.273299  -0.129824
-    1SOL     H5    5  -0.126493  -0.280180  -0.211522
-    1SOL     H6    6  -0.114552  -0.302031  -0.062194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/571/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020080  -0.089392   0.027716
-    0SOL     H3    3  -0.016999   0.000310  -0.094198
-    1SOL     O4    4  -0.042206  -0.254446   0.072118
-    1SOL     H5    5  -0.085522  -0.336858   0.049884
-    1SOL     H6    6   0.018458  -0.277446   0.142498
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/572/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073778  -0.035303  -0.049728
-    0SOL     H3    3   0.050623   0.049745  -0.064226
-    1SOL     O4    4   0.190247   0.153783  -0.134436
-    1SOL     H5    5   0.238029   0.105086  -0.201576
-    1SOL     H6    6   0.156504   0.230833  -0.180121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/573/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008239   0.088112   0.036479
-    0SOL     H3    3   0.026165   0.014049  -0.090996
-    1SOL     O4    4   0.113977  -0.238609   0.092931
-    1SOL     H5    5   0.175012  -0.274512   0.028526
-    1SOL     H6    6   0.101053  -0.147757   0.065705
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/574/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.031514  -0.023000  -0.087408
-    0SOL     H3    3   0.047150   0.082375  -0.012394
-    1SOL     O4    4  -0.120733  -0.157176  -0.215338
-    1SOL     H5    5  -0.097348  -0.248734  -0.230591
-    1SOL     H6    6  -0.215421  -0.158594  -0.201394
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/575/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063291  -0.029152  -0.065626
-    0SOL     H3    3  -0.025403  -0.046068   0.079967
-    1SOL     O4    4  -0.036498   0.263613   0.053583
-    1SOL     H5    5  -0.038939   0.319127  -0.024356
-    1SOL     H6    6   0.001637   0.181245   0.023194
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/576/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.027167  -0.086430   0.030890
-    0SOL     H3    3  -0.051430  -0.017735  -0.078758
-    1SOL     O4    4  -0.181739   0.119957   0.158666
-    1SOL     H5    5  -0.217645   0.200610   0.121678
-    1SOL     H6    6  -0.105859   0.100095   0.103803
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/577/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001645   0.059836  -0.074695
-    0SOL     H3    3  -0.053458   0.044861   0.065514
-    1SOL     O4    4   0.035331   0.100997  -0.255829
-    1SOL     H5    5   0.073309   0.013134  -0.256268
-    1SOL     H6    6   0.110864   0.159792  -0.256241
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/578/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024287   0.004519  -0.092477
-    0SOL     H3    3   0.092368  -0.025100  -0.000645
-    1SOL     O4    4  -0.177953  -0.074987   0.220802
-    1SOL     H5    5  -0.142153  -0.030215   0.144146
-    1SOL     H6    6  -0.155034  -0.166999   0.207732
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/579/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063813   0.068340  -0.020490
-    0SOL     H3    3  -0.081118   0.047525   0.017990
-    1SOL     O4    4   0.086221  -0.121042   0.243330
-    1SOL     H5    5   0.130581  -0.048193   0.286776
-    1SOL     H6    6   0.071672  -0.090345   0.153840
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/580/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057609   0.033816  -0.068557
-    0SOL     H3    3  -0.006974  -0.095165  -0.007573
-    1SOL     O4    4  -0.217064   0.024681  -0.158509
-    1SOL     H5    5  -0.254505  -0.059761  -0.133407
-    1SOL     H6    6  -0.190883   0.013122  -0.249851
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/581/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.036014  -0.076797   0.044356
-    0SOL     H3    3   0.082740   0.017096   0.044990
-    1SOL     O4    4   0.252501   0.039798   0.109738
-    1SOL     H5    5   0.278204  -0.047962   0.081454
-    1SOL     H6    6   0.218527   0.027458   0.198371
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/582/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077131  -0.046512   0.032402
-    0SOL     H3    3   0.060174   0.001449   0.074426
-    1SOL     O4    4   0.159211  -0.031777   0.255001
-    1SOL     H5    5   0.172124   0.056840   0.288805
-    1SOL     H6    6   0.124342  -0.080975   0.329338
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/583/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014120   0.086549   0.038368
-    0SOL     H3    3  -0.000157  -0.059689   0.074830
-    1SOL     O4    4   0.025468  -0.133462   0.243544
-    1SOL     H5    5   0.063108  -0.208530   0.289482
-    1SOL     H6    6  -0.067402  -0.135285   0.266655
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078989   0.052073  -0.014541
-    0SOL     H3    3  -0.012256  -0.038470   0.086788
-    1SOL     O4    4  -0.048868  -0.104658   0.274576
-    1SOL     H5    5  -0.000468  -0.053520   0.339420
-    1SOL     H6    6   0.006273  -0.181199   0.258355
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/585/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094468   0.012256  -0.009379
-    0SOL     H3    3   0.029011   0.075429   0.051294
-    1SOL     O4    4   0.130167  -0.138572  -0.183760
-    1SOL     H5    5   0.078211  -0.097022  -0.114937
-    1SOL     H6    6   0.172980  -0.212326  -0.140291
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/586/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.036129  -0.069195  -0.055400
-    0SOL     H3    3  -0.015358  -0.030403   0.089455
-    1SOL     O4    4  -0.125304  -0.166207   0.312772
-    1SOL     H5    5  -0.184123  -0.181423   0.238805
-    1SOL     H6    6  -0.051418  -0.225028   0.297175
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/587/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017883  -0.048389  -0.080629
-    0SOL     H3    3  -0.052706  -0.044087   0.066639
-    1SOL     O4    4  -0.175725  -0.019001   0.230985
-    1SOL     H5    5  -0.249001  -0.080587   0.230978
-    1SOL     H6    6  -0.135911  -0.029083   0.317447
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/588/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052439  -0.080077  -0.000476
-    0SOL     H3    3  -0.053684  -0.005998  -0.079021
-    1SOL     O4    4   0.190612  -0.227716   0.002703
-    1SOL     H5    5   0.237401  -0.146982   0.024037
-    1SOL     H6    6   0.176657  -0.270417   0.087227
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/589/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086937  -0.020291   0.034533
-    0SOL     H3    3  -0.051525  -0.078893   0.016837
-    1SOL     O4    4  -0.098203   0.240854  -0.040606
-    1SOL     H5    5  -0.059144   0.155884  -0.020191
-    1SOL     H6    6  -0.087158   0.292194   0.039422
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/590/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.064054   0.067206   0.023297
-    0SOL     H3    3  -0.013607  -0.049266   0.080932
-    1SOL     O4    4   0.037878  -0.166852   0.252072
-    1SOL     H5    5   0.117410  -0.154762   0.303945
-    1SOL     H6    6  -0.030063  -0.120656   0.301187
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/591/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073987   0.037545  -0.047735
-    0SOL     H3    3  -0.006276   0.052572   0.079744
-    1SOL     O4    4   0.386139  -0.154683   0.281730
-    1SOL     H5    5   0.383383  -0.222401   0.214137
-    1SOL     H6    6   0.321039  -0.182442   0.346180
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/592/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051924   0.063030   0.049934
-    0SOL     H3    3  -0.018812   0.044511  -0.082627
-    1SOL     O4    4   0.130713  -0.276780  -0.002273
-    1SOL     H5    5   0.154216  -0.250093  -0.091142
-    1SOL     H6    6   0.067648  -0.210855   0.026694
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/593/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047861  -0.078575   0.026412
-    0SOL     H3    3   0.019223  -0.013657  -0.092770
-    1SOL     O4    4  -0.160810  -0.208567   0.049094
-    1SOL     H5    5  -0.114657  -0.279454   0.093896
-    1SOL     H6    6  -0.240713  -0.195856   0.100244
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/594/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.088072  -0.035724  -0.011380
-    0SOL     H3    3   0.013960   0.092946   0.018124
-    1SOL     O4    4   0.302125  -0.054869   0.018211
-    1SOL     H5    5   0.290312  -0.146559  -0.006604
-    1SOL     H6    6   0.302879  -0.055816   0.113923
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/595/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077102   0.056653  -0.002839
-    0SOL     H3    3  -0.005570  -0.037375  -0.087945
-    1SOL     O4    4  -0.170556   0.186570   0.081980
-    1SOL     H5    5  -0.127321   0.107613   0.049441
-    1SOL     H6    6  -0.236408   0.154260   0.143478
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/596/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087643   0.029568  -0.024635
-    0SOL     H3    3  -0.010922  -0.037126   0.087548
-    1SOL     O4    4  -0.220790   0.104918  -0.146324
-    1SOL     H5    5  -0.300720   0.069279  -0.107549
-    1SOL     H6    6  -0.202425   0.047386  -0.220588
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/Ih-Mc/597/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.054699  -0.048751  -0.061593
-    0SOL     H3    3   0.053294   0.006831   0.079218
-    1SOL     O4    4   0.117847   0.054292   0.240481
-    1SOL     H5    5   0.140796   0.145588   0.257823
-    1SOL     H6    6   0.201668   0.011268   0.223591
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.206620  -0.272153   0.000067
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-    6
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-    1SOL     H5    5  -0.221293  -0.269377  -0.119176
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-    6
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-    1SOL     H5    5  -0.111842   0.306506  -0.119945
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    1SOL     O4    4   0.264131   0.120245  -0.042648
-    1SOL     H5    5   0.187572   0.079562  -0.002078
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060092   0.074124   0.007542
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-    1SOL     H5    5   0.269036   0.180015   0.014889
-    1SOL     H6    6   0.161466   0.278501   0.055487
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.024312   0.086608  -0.032716
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-    1SOL     H5    5  -0.153547  -0.162530  -0.315383
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078546  -0.041271   0.035909
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-    1SOL     O4    4  -0.253263  -0.113790   0.037222
-    1SOL     H5    5  -0.279687  -0.201484   0.009404
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002064  -0.080972  -0.051006
-    0SOL     H3    3  -0.017167  -0.028587   0.089724
-    1SOL     O4    4  -0.180298   0.215537   0.230075
-    1SOL     H5    5  -0.107327   0.260781   0.187760
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080236   0.051184  -0.010228
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-    1SOL     O4    4   0.160768   0.053101   0.276644
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-    6
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-    1SOL     H6    6   0.132344   0.204475   0.216964
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-    6
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-    0SOL     H3    3  -0.050886   0.078789  -0.019110
-    1SOL     O4    4   0.143872   0.282996   0.093590
-    1SOL     H5    5   0.212615   0.226611   0.129049
-    1SOL     H6    6   0.134754   0.255287   0.002423
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-    6
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-    0SOL     H2    2   0.077370   0.036851  -0.042640
-    0SOL     H3    3   0.022584  -0.002153   0.092993
-    1SOL     O4    4   0.064927  -0.000180   0.285280
-    1SOL     H5    5   0.127814   0.071970   0.286679
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-    6
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-    1SOL     O4    4  -0.265256  -0.085696   0.027111
-    1SOL     H5    5  -0.274745  -0.170098  -0.017032
-    1SOL     H6    6  -0.281691  -0.104915   0.119430
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-    6
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-    1SOL     H6    6  -0.180187  -0.248635   0.028618
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-    6
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-    0SOL     H3    3  -0.029347  -0.067072  -0.061663
-    1SOL     O4    4  -0.037283   0.261907  -0.043445
-    1SOL     H5    5  -0.120421   0.292273  -0.006999
-    1SOL     H6    6  -0.048022   0.167181  -0.052045
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-    6
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-    0SOL     H2    2   0.073454   0.061210   0.004503
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-    1SOL     O4    4   0.107682  -0.212173   0.127744
-    1SOL     H5    5   0.106910  -0.298619   0.086648
-    1SOL     H6    6   0.075727  -0.227579   0.216648
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-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/042/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2   0.090271  -0.024824  -0.019933
-    0SOL     H3    3  -0.053401  -0.065125  -0.045491
-    1SOL     O4    4  -0.236731  -0.197268   0.214869
-    1SOL     H5    5  -0.314886  -0.251962   0.206961
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-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/043/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064456  -0.068525  -0.017664
-    0SOL     H3    3  -0.036773   0.078551  -0.040496
-    1SOL     O4    4   0.084152  -0.003963   0.259140
-    1SOL     H5    5   0.016666  -0.050885   0.308194
-    1SOL     H6    6   0.043996   0.013838   0.174093
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-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/044/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001186  -0.092495  -0.024607
-    0SOL     H3    3  -0.031005   0.000346   0.090559
-    1SOL     O4    4  -0.141978   0.183180  -0.138299
-    1SOL     H5    5  -0.089623   0.261019  -0.157332
-    1SOL     H6    6  -0.085005   0.128600  -0.084101
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/045/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.025638  -0.087102   0.030301
-    0SOL     H3    3  -0.092221   0.007734   0.024451
-    1SOL     O4    4  -0.252897   0.077106   0.068511
-    1SOL     H5    5  -0.334550   0.029397   0.083304
-    1SOL     H6    6  -0.278183   0.151643   0.014039
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/046/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.059945   0.060662  -0.043464
-    0SOL     H3    3   0.034270  -0.007951   0.089021
-    1SOL     O4    4   0.261702   0.127038  -0.043194
-    1SOL     H5    5   0.271939   0.221992  -0.036781
-    1SOL     H6    6   0.269835   0.108285  -0.136706
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/047/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064352  -0.070837  -0.001782
-    0SOL     H3    3  -0.048771   0.077440  -0.028050
-    1SOL     O4    4  -0.032064   0.282188   0.211327
-    1SOL     H5    5   0.056454   0.257717   0.184347
-    1SOL     H6    6  -0.037335   0.376168   0.193940
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/048/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007328  -0.083420  -0.046366
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-    1SOL     O4    4   0.247855   0.115729  -0.061390
-    1SOL     H5    5   0.171202   0.068906  -0.028311
-    1SOL     H6    6   0.229070   0.130006  -0.154157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/049/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081198   0.026282  -0.043340
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-    1SOL     O4    4   0.142375  -0.268366   0.044712
-    1SOL     H5    5   0.137199  -0.362276   0.026919
-    1SOL     H6    6   0.061546  -0.248397   0.091937
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-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/050/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092735  -0.020956  -0.011107
-    0SOL     H3    3  -0.046208  -0.073451  -0.040400
-    1SOL     O4    4   0.271937  -0.054795  -0.050825
-    1SOL     H5    5   0.331355   0.014390  -0.079898
-    1SOL     H6    6   0.327386  -0.114525  -0.000625
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/051/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078152  -0.030953   0.045787
-    0SOL     H3    3  -0.032831   0.033952  -0.083257
-    1SOL     O4    4   0.133553   0.207954   0.130770
-    1SOL     H5    5   0.222998   0.175123   0.121605
-    1SOL     H6    6   0.078886   0.140004   0.091316
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/052/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083683  -0.045968   0.006807
-    0SOL     H3    3  -0.022572   0.085711  -0.036146
-    1SOL     O4    4  -0.226528  -0.163164  -0.012027
-    1SOL     H5    5  -0.212860  -0.256261   0.005535
-    1SOL     H6    6  -0.311552  -0.143548   0.027324
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/053/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084043   0.043649  -0.013922
-    0SOL     H3    3   0.023272  -0.089004   0.026439
-    1SOL     O4    4  -0.262229   0.097939   0.025881
-    1SOL     H5    5  -0.174764   0.063787   0.007282
-    1SOL     H6    6  -0.321337   0.026109   0.003321
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/054/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2   0.007208   0.094451   0.013764
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-    1SOL     O4    4  -0.244041  -0.089138   0.076466
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-    6
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-    1SOL     H5    5   0.147439  -0.123478   0.015095
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-    6
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-    1SOL     H6    6   0.103003   0.121065   0.101450
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-    6
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-    0SOL     H2    2   0.087338   0.025804   0.029471
-    0SOL     H3    3  -0.007563  -0.092067   0.025076
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-    1SOL     H5    5  -0.191530   0.053800  -0.006067
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025986  -0.091986  -0.005060
-    0SOL     H3    3  -0.004057   0.020986   0.093303
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.224316  -0.141372   0.085188
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-    6
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-    1SOL     O4    4   0.048067  -0.263393   0.054466
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-    6
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-    1SOL     O4    4   0.258699  -0.090704  -0.075125
-    1SOL     H5    5   0.320523  -0.017680  -0.072377
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-  3.000000   3.000000   3.000000
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-    6
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-    0SOL     H2    2  -0.082125  -0.032269   0.037101
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-    1SOL     H5    5   0.140877  -0.118674   0.027138
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    0SOL     H2    2  -0.085356   0.040998  -0.013992
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-    1SOL     O4    4   0.141319   0.183451   0.114924
-    1SOL     H5    5   0.220677   0.236763   0.110195
-    1SOL     H6    6   0.130566   0.164639   0.208159
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.011592   0.019651   0.092961
-    1SOL     O4    4   0.241652   0.115267  -0.058015
-    1SOL     H5    5   0.167066   0.063676  -0.027395
-    1SOL     H6    6   0.223333   0.131340  -0.150580
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017612  -0.093278  -0.012305
-    0SOL     H3    3  -0.006169   0.013314   0.094589
-    1SOL     O4    4   0.246658   0.112096  -0.056708
-    1SOL     H5    5   0.162930   0.083325  -0.020319
-    1SOL     H6    6   0.224284   0.148981  -0.142155
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007760   0.069712   0.065133
-    0SOL     H3    3   0.024074   0.045256  -0.080837
-    1SOL     O4    4  -0.172935   0.426162  -0.004562
-    1SOL     H5    5  -0.253465   0.378083   0.014559
-    1SOL     H6    6  -0.164507   0.421941  -0.099817
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081564  -0.039340   0.031016
-    0SOL     H3    3  -0.012308   0.009441  -0.094455
-    1SOL     O4    4  -0.252410  -0.107241   0.063163
-    1SOL     H5    5  -0.255115  -0.194924   0.024868
-    1SOL     H6    6  -0.270364  -0.121103   0.156157
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/069/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068477   0.065471   0.013669
-    0SOL     H3    3   0.025242  -0.073230   0.056237
-    1SOL     O4    4  -0.123431  -0.030195  -0.278685
-    1SOL     H5    5  -0.033430  -0.003423  -0.297270
-    1SOL     H6    6  -0.126746  -0.038715  -0.183403
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007910   0.095392   0.000214
-    0SOL     H3    3   0.077112  -0.017566  -0.053921
-    1SOL     O4    4   0.238651   0.204021   0.178081
-    1SOL     H5    5   0.273305   0.115181   0.186375
-    1SOL     H6    6   0.158196   0.203336   0.229934
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088832   0.027325  -0.022902
-    0SOL     H3    3   0.008769   0.022144   0.092710
-    1SOL     O4    4  -0.219625   0.159921   0.004418
-    1SOL     H5    5  -0.309664   0.128437   0.012417
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-    1SOL     O4    4  -0.205191   0.195400  -0.023279
-    1SOL     H5    5  -0.137017   0.129970  -0.007997
-    1SOL     H6    6  -0.242168   0.172091  -0.108436
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-    6
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-    1SOL     H5    5   0.134613  -0.114341  -0.259069
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-    6
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-    0SOL     H3    3  -0.043060  -0.055707  -0.064845
-    1SOL     O4    4   0.269517  -0.056288  -0.065110
-    1SOL     H5    5   0.327105   0.018836  -0.050887
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-    6
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-    0SOL     H3    3   0.083533  -0.002307  -0.046682
-    1SOL     O4    4  -0.032205   0.275091  -0.065296
-    1SOL     H5    5  -0.123244   0.293276  -0.041983
-    1SOL     H6    6   0.016850   0.349453  -0.030279
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-    6
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-    1SOL     O4    4  -0.038637   0.289602   0.019816
-    1SOL     H5    5  -0.019940   0.197214   0.003167
-    1SOL     H6    6  -0.115932   0.288650   0.076269
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-    6
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-    0SOL     H2    2   0.029899   0.075702   0.050374
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-    1SOL     H5    5   0.066678  -0.276980   0.146649
-    1SOL     H6    6   0.112712  -0.136041   0.116055
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-    6
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-    0SOL     H2    2  -0.072572   0.051145  -0.035775
-    0SOL     H3    3  -0.011254   0.005495   0.094897
-    1SOL     O4    4  -0.036334   0.024834   0.257098
-    1SOL     H5    5  -0.124846   0.060723   0.263419
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-    6
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-    0SOL     H2    2  -0.019497   0.093706   0.001184
-    0SOL     H3    3   0.067058  -0.009708  -0.067612
-    1SOL     O4    4  -0.208894  -0.160684  -0.003879
-    1SOL     H5    5  -0.133158  -0.102149  -0.003841
-    1SOL     H6    6  -0.172895  -0.246519   0.018455
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002064  -0.083807  -0.046201
-    0SOL     H3    3  -0.000692  -0.023697   0.092738
-    1SOL     O4    4  -0.037770  -0.271913  -0.036382
-    1SOL     H5    5   0.027853  -0.329424   0.002966
-    1SOL     H6    6  -0.045733  -0.302802  -0.126631
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075429   0.058734  -0.004802
-    0SOL     H3    3   0.036265  -0.083198   0.030419
-    1SOL     O4    4   0.136276  -0.229998   0.131999
-    1SOL     H5    5   0.124717  -0.320458   0.102918
-    1SOL     H6    6   0.112447  -0.231359   0.224696
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019890  -0.090176   0.025199
-    0SOL     H3    3  -0.082617   0.019600   0.044189
-    1SOL     O4    4  -0.244972   0.032440   0.152461
-    1SOL     H5    5  -0.317940   0.076287   0.108696
-    1SOL     H6    6  -0.259699   0.048564   0.245656
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069212   0.048799  -0.044616
-    0SOL     H3    3  -0.017693   0.013013   0.093166
-    1SOL     O4    4  -0.206738   0.181728  -0.024135
-    1SOL     H5    5  -0.285726   0.141739   0.012254
-    1SOL     H6    6  -0.229901   0.202568  -0.114642
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000928  -0.090479  -0.031224
-    0SOL     H3    3  -0.074290   0.040173  -0.045049
-    1SOL     O4    4   0.260374   0.083822  -0.062919
-    1SOL     H5    5   0.227533   0.130268  -0.139903
-    1SOL     H6    6   0.181823   0.049754  -0.020124
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072396   0.048447  -0.039673
-    0SOL     H3    3  -0.012360   0.011291   0.094245
-    1SOL     O4    4  -0.020299  -0.267768  -0.030207
-    1SOL     H5    5  -0.025667  -0.174540  -0.009181
-    1SOL     H6    6  -0.016754  -0.270641  -0.125818
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007085  -0.090622  -0.029997
-    0SOL     H3    3  -0.026604  -0.007077   0.091676
-    1SOL     O4    4   0.266607   0.071929  -0.053406
-    1SOL     H5    5   0.178628   0.050157  -0.022618
-    1SOL     H6    6   0.253586   0.103719  -0.142748
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077775  -0.052651   0.018475
-    0SOL     H3    3  -0.013756  -0.009753  -0.094223
-    1SOL     O4    4  -0.244657   0.010338   0.136983
-    1SOL     H5    5  -0.274994   0.100068   0.150787
-    1SOL     H6    6  -0.157511   0.020104   0.098611
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066670   0.053951  -0.042506
-    0SOL     H3    3  -0.010409   0.018149   0.093406
-    1SOL     O4    4  -0.233933   0.193650  -0.026724
-    1SOL     H5    5  -0.298784   0.124395  -0.014057
-    1SOL     H6    6  -0.223362   0.199553  -0.121675
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082344  -0.034407   0.034612
-    0SOL     H3    3  -0.004083  -0.033219  -0.089678
-    1SOL     O4    4  -0.219517   0.015048   0.146539
-    1SOL     H5    5  -0.255688   0.103393   0.153545
-    1SOL     H6    6  -0.142135   0.025123   0.091107
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.014451   0.092078   0.021798
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-    1SOL     O4    4   0.220895  -0.009372  -0.145968
-    1SOL     H5    5   0.286447  -0.075030  -0.122425
-    1SOL     H6    6   0.213743  -0.015677  -0.241211
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-    6
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-    1SOL     H5    5  -0.011526  -0.002500  -0.290933
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-    6
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-    1SOL     O4    4  -0.113124  -0.227979  -0.134805
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.162650  -0.209100  -0.177494
-    1SOL     H5    5  -0.250357  -0.239259  -0.153824
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.061775  -0.059591   0.042369
-    1SOL     O4    4   0.223040  -0.157512   0.040135
-    1SOL     H5    5   0.297261  -0.113591  -0.001392
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.057093   0.059555   0.048538
-    1SOL     O4    4   0.320260  -0.023754  -0.079165
-    1SOL     H5    5   0.323571  -0.119150  -0.086299
-    1SOL     H6    6   0.305549  -0.007147   0.013949
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.006111   0.200447  -0.257897
-    1SOL     H5    5   0.021281   0.105954  -0.259735
-    1SOL     H6    6  -0.086405   0.209460  -0.235053
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.051732   0.076037   0.257633
-    1SOL     H5    5  -0.142046   0.107124   0.263898
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.030541  -0.034272  -0.083994
-    1SOL     O4    4   0.202520  -0.215760   0.026840
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018838   0.087236  -0.034603
-    0SOL     H3    3   0.076131  -0.029670  -0.049861
-    1SOL     O4    4  -0.033769   0.251352  -0.040996
-    1SOL     H5    5  -0.122446   0.267733  -0.008896
-    1SOL     H6    6   0.021650   0.309816   0.010704
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079367   0.019214   0.049940
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-    1SOL     O4    4   0.004784   0.070249  -0.289198
-    1SOL     H5    5   0.022419  -0.018998  -0.318968
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083207  -0.032422   0.034463
-    0SOL     H3    3  -0.001276  -0.029280  -0.091123
-    1SOL     O4    4   0.021942  -0.046636  -0.256007
-    1SOL     H5    5   0.110243  -0.083389  -0.252205
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001497   0.081989   0.049375
-    0SOL     H3    3   0.025585   0.024985  -0.088789
-    1SOL     O4    4   0.029852   0.267524   0.065517
-    1SOL     H5    5  -0.052841   0.302547   0.032388
-    1SOL     H6    6   0.033692   0.297054   0.156487
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.062989   0.054239  -0.047465
-    0SOL     H3    3   0.034725  -0.004731   0.089073
-    1SOL     O4    4   0.033625   0.010157   0.282960
-    1SOL     H5    5   0.108218   0.066454   0.303668
-    1SOL     H6    6   0.054982  -0.073868   0.323532
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087560  -0.035404   0.015557
-    0SOL     H3    3   0.057259  -0.076705   0.000053
-    1SOL     O4    4   0.305757   0.101735  -0.189991
-    1SOL     H5    5   0.303946   0.079313  -0.096952
-    1SOL     H6    6   0.391275   0.142670  -0.203152
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011134  -0.095043  -0.002289
-    0SOL     H3    3  -0.090430   0.012887   0.028611
-    1SOL     O4    4   0.039999  -0.283865   0.045289
-    1SOL     H5    5   0.120417  -0.334623   0.034388
-    1SOL     H6    6  -0.028482  -0.338964   0.007384
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022677  -0.092828   0.005573
-    0SOL     H3    3  -0.076358   0.009511   0.056933
-    1SOL     O4    4  -0.236604   0.023613   0.152376
-    1SOL     H5    5  -0.318755   0.065519   0.126736
-    1SOL     H6    6  -0.221927   0.052649   0.242398
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090746   0.029892   0.005834
-    0SOL     H3    3   0.049977   0.065311   0.048980
-    1SOL     O4    4  -0.168416   0.114937   0.299421
-    1SOL     H5    5  -0.254322   0.089968   0.333466
-    1SOL     H6    6  -0.185326   0.142111   0.209210
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081555  -0.048930   0.010818
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-    1SOL     H5    5  -0.149783   0.282998   0.037490
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-    6
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-    1SOL     O4    4   0.140588   0.191212   0.165681
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-    1SOL     H6    6   0.157336   0.172997   0.258148
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-    6
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-    1SOL     O4    4   0.026004  -0.165671  -0.288385
-    1SOL     H5    5   0.089243  -0.222320  -0.244181
-    1SOL     H6    6   0.012135  -0.207071  -0.373567
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-    6
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-    0SOL     H3    3  -0.082801   0.036243   0.031508
-    1SOL     O4    4   0.224525   0.158092   0.033339
-    1SOL     H5    5   0.148598   0.101544   0.019204
-    1SOL     H6    6   0.199279   0.242158  -0.004842
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-    6
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-    0SOL     H2    2   0.074973   0.057467  -0.015453
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-    1SOL     O4    4   0.069638   0.002794   0.278855
-    1SOL     H5    5   0.141139   0.066099   0.285366
-    1SOL     H6    6   0.097276  -0.070383   0.334024
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-    6
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-    0SOL     H2    2  -0.089012   0.030823   0.017001
-    0SOL     H3    3   0.056217   0.071890   0.028876
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-    1SOL     H5    5  -0.018301   0.000876  -0.302904
-    1SOL     H6    6   0.056461  -0.036388  -0.176647
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-    6
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-    0SOL     H2    2   0.079911  -0.026575  -0.045501
-    0SOL     H3    3  -0.009212   0.093134  -0.020087
-    1SOL     O4    4  -0.063119   0.255918  -0.060083
-    1SOL     H5    5  -0.157434   0.270422  -0.052548
-    1SOL     H6    6  -0.023663   0.331564  -0.016685
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031117  -0.089123   0.015846
-    0SOL     H3    3  -0.092454  -0.002114   0.024699
-    1SOL     O4    4   0.030651  -0.262537   0.075727
-    1SOL     H5    5   0.114118  -0.290986   0.038494
-    1SOL     H6    6  -0.034664  -0.318572   0.033818
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-    6
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-    0SOL     H2    2   0.091592  -0.027806  -0.000319
-    0SOL     H3    3  -0.046389  -0.069658  -0.046456
-    1SOL     O4    4  -0.173643  -0.218098  -0.144627
-    1SOL     H5    5  -0.244676  -0.278842  -0.123969
-    1SOL     H6    6  -0.197815  -0.180855  -0.229427
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010868  -0.088125  -0.035751
-    0SOL     H3    3  -0.028906  -0.014074   0.090159
-    1SOL     O4    4  -0.013284  -0.077937   0.275474
-    1SOL     H5    5  -0.011896  -0.172774   0.262573
-    1SOL     H6    6  -0.095391  -0.061211   0.321744
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022930   0.023346  -0.089953
-    0SOL     H3    3  -0.080887  -0.035394   0.036971
-    1SOL     O4    4  -0.249840  -0.080990   0.047878
-    1SOL     H5    5  -0.252039  -0.169192   0.010758
-    1SOL     H6    6  -0.284857  -0.091312   0.136363
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017269   0.094072  -0.003815
-    0SOL     H3    3   0.079058  -0.012039  -0.052605
-    1SOL     O4    4  -0.226520  -0.145958   0.011524
-    1SOL     H5    5  -0.141957  -0.101121   0.010438
-    1SOL     H6    6  -0.207365  -0.232441   0.047801
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079955   0.037817  -0.036596
-    0SOL     H3    3   0.003259   0.033029   0.089782
-    1SOL     O4    4  -0.037367  -0.258015  -0.040360
-    1SOL     H5    5  -0.033246  -0.165970  -0.014418
-    1SOL     H6    6  -0.012241  -0.258065  -0.132724
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009634   0.090778   0.028789
-    0SOL     H3    3   0.020830   0.002106  -0.093402
-    1SOL     O4    4   0.023364   0.078217  -0.259473
-    1SOL     H5    5  -0.000540   0.170636  -0.252423
-    1SOL     H6    6   0.100168   0.077584  -0.316597
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/122/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022051  -0.091236   0.018764
-    0SOL     H3    3  -0.078335   0.017004   0.052314
-    1SOL     O4    4  -0.243006   0.006473   0.167403
-    1SOL     H5    5  -0.321034   0.055990   0.142465
-    1SOL     H6    6  -0.233545   0.022295   0.261331
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085535   0.014450   0.040463
-    0SOL     H3    3   0.002747  -0.094092  -0.017362
-    1SOL     O4    4   0.046925  -0.276575   0.017956
-    1SOL     H5    5   0.138976  -0.297448   0.002042
-    1SOL     H6    6  -0.001405  -0.335512  -0.039948
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020096  -0.086318  -0.036163
-    0SOL     H3    3  -0.016879  -0.008760   0.093812
-    1SOL     O4    4  -0.054368  -0.265579  -0.054964
-    1SOL     H5    5   0.021870  -0.321541  -0.040187
-    1SOL     H6    6  -0.066251  -0.265798  -0.149943
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/125/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024002   0.075775   0.053333
-    0SOL     H3    3   0.035370   0.019552  -0.086770
-    1SOL     O4    4   0.053747   0.279547   0.047300
-    1SOL     H5    5  -0.029538   0.317942   0.019881
-    1SOL     H6    6   0.067178   0.312347   0.136216
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/126/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082242  -0.038085   0.030791
-    0SOL     H3    3  -0.002446  -0.020527  -0.093461
-    1SOL     O4    4   0.040516  -0.052760  -0.265316
-    1SOL     H5    5   0.129918  -0.086438  -0.271255
-    1SOL     H6    6  -0.009759  -0.107349  -0.325771
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.090334   0.021000  -0.023687
-    0SOL     H3    3   0.004477  -0.024353   0.092462
-    1SOL     O4    4   0.274639   0.063362  -0.038238
-    1SOL     H5    5   0.270518   0.154000  -0.007743
-    1SOL     H6    6   0.284209   0.070408  -0.133217
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074735  -0.034024   0.049188
-    0SOL     H3    3  -0.029446   0.000528  -0.091077
-    1SOL     O4    4  -0.272475  -0.067946   0.081253
-    1SOL     H5    5  -0.287919  -0.157275   0.050526
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.146471  -0.213145   0.133235
-    1SOL     H5    5   0.130214  -0.242277   0.222953
-    1SOL     H6    6   0.117130  -0.286082   0.078631
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002613  -0.091086  -0.029307
-    0SOL     H3    3  -0.008317  -0.005646   0.095191
-    1SOL     O4    4  -0.328889   0.028051   0.027272
-    1SOL     H5    5  -0.421592   0.051876   0.028297
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.044859  -0.070392  -0.046851
-    1SOL     O4    4  -0.331692  -0.027039   0.049307
-    1SOL     H5    5  -0.311673   0.062372   0.077009
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088474   0.036066   0.005825
-    0SOL     H3    3   0.052711   0.056486   0.056509
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-    1SOL     H5    5  -0.035934  -0.045589  -0.322649
-    1SOL     H6    6   0.048985  -0.057561  -0.197892
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081306   0.033906   0.037443
-    0SOL     H3    3   0.067768   0.059668   0.031774
-    1SOL     O4    4   0.270678  -0.090926   0.238824
-    1SOL     H5    5   0.287074  -0.185173   0.242141
-    1SOL     H6    6   0.182676  -0.080587   0.275033
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.024584  -0.006276  -0.092296
-    1SOL     O4    4   0.042934   0.270671   0.039960
-    1SOL     H5    5   0.030795   0.180825   0.009258
-    1SOL     H6    6   0.019682   0.267666   0.132765
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076281  -0.048867   0.030912
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-    1SOL     O4    4  -0.227497   0.011700   0.145703
-    1SOL     H5    5  -0.264363   0.098214   0.127857
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006529   0.095491  -0.001040
-    0SOL     H3    3   0.086393  -0.018550  -0.036803
-    1SOL     O4    4  -0.018834   0.276339  -0.038045
-    1SOL     H5    5  -0.106164   0.308979  -0.016354
-    1SOL     H6    6   0.040963   0.336262   0.006629
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-    6
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-    0SOL     H2    2   0.016320   0.092938   0.016080
-    0SOL     H3    3   0.019283  -0.012016  -0.092984
-    1SOL     O4    4   0.073290   0.087012  -0.258702
-    1SOL     H5    5   0.165428   0.093835  -0.283727
-    1SOL     H6    6   0.040539   0.176853  -0.262994
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016017   0.086925  -0.036739
-    0SOL     H3    3  -0.080474  -0.048724  -0.017672
-    1SOL     O4    4  -0.215346  -0.166975  -0.035446
-    1SOL     H5    5  -0.181954  -0.256667  -0.033764
-    1SOL     H6    6  -0.226153  -0.147130  -0.128460
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077054   0.049108  -0.028521
-    0SOL     H3    3   0.035552  -0.079557   0.039612
-    1SOL     O4    4   0.176232   0.109260   0.244831
-    1SOL     H5    5   0.166585   0.198607   0.277792
-    1SOL     H6    6   0.205258   0.120094   0.154263
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082613   0.044057   0.019908
-    0SOL     H3    3   0.066353   0.051579   0.045817
-    1SOL     O4    4   0.146129   0.211595   0.148992
-    1SOL     H5    5   0.232618   0.234190   0.114766
-    1SOL     H6    6   0.157851   0.208904   0.243954
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086325   0.037341  -0.017773
-    0SOL     H3    3   0.003380  -0.025440   0.092215
-    1SOL     O4    4   0.253656   0.093315  -0.002216
-    1SOL     H5    5   0.266580   0.181752   0.032052
-    1SOL     H6    6   0.275914   0.100066  -0.095067
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.030291   0.089170  -0.017132
-    0SOL     H3    3   0.082592  -0.006906  -0.047887
-    1SOL     O4    4  -0.041282  -0.085994   0.268123
-    1SOL     H5    5  -0.020930   0.005501   0.287536
-    1SOL     H6    6  -0.004259  -0.100875   0.181116
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071632  -0.063383   0.003706
-    0SOL     H3    3  -0.036053   0.074144  -0.048634
-    1SOL     O4    4  -0.092268   0.216362  -0.138634
-    1SOL     H5    5  -0.099450   0.311115  -0.127119
-    1SOL     H6    6  -0.087484   0.204000  -0.233431
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091300   0.028749  -0.000318
-    0SOL     H3    3   0.047044   0.069996   0.045274
-    1SOL     O4    4   0.022641  -0.278168   0.023959
-    1SOL     H5    5  -0.005974  -0.186911   0.027928
-    1SOL     H6    6   0.105960  -0.275169  -0.023065
-  3.000000   3.000000   3.000000
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-    6
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-    6
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-    1SOL     H5    5  -0.130598   0.072255   0.263078
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-    6
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-    0SOL     H3    3   0.033890   0.079181   0.041762
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-    1SOL     H5    5  -0.269980   0.039103   0.351810
-    1SOL     H6    6  -0.188213   0.165784   0.365415
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-    6
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-    0SOL     H2    2   0.017073   0.076833   0.054475
-    0SOL     H3    3   0.013331   0.030718  -0.089672
-    1SOL     O4    4  -0.265974  -0.124412   0.016611
-    1SOL     H5    5  -0.192715  -0.064576   0.001945
-    1SOL     H6    6  -0.251842  -0.158454   0.104949
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094846   0.007065   0.010804
-    0SOL     H3    3   0.034907   0.078263   0.042646
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-    1SOL     H6    6   0.292834  -0.006663   0.038154
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-    6
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-    0SOL     H3    3   0.001281  -0.010132   0.095174
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-    1SOL     H5    5  -0.327588   0.027568  -0.236490
-    1SOL     H6    6  -0.287867  -0.010468  -0.095442
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069009  -0.015060  -0.064601
-    0SOL     H3    3  -0.017968   0.093856  -0.005515
-    1SOL     O4    4  -0.072790   0.258859  -0.012382
-    1SOL     H5    5  -0.162591   0.291142  -0.019871
-    1SOL     H6    6  -0.020484   0.337174   0.004738
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067420  -0.063995   0.022837
-    0SOL     H3    3  -0.012624  -0.011033  -0.094240
-    1SOL     O4    4  -0.155784  -0.313343  -0.032933
-    1SOL     H5    5  -0.226250  -0.375520  -0.051119
-    1SOL     H6    6  -0.178847  -0.235451  -0.083562
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003026   0.075160   0.059196
-    0SOL     H3    3   0.034285   0.033357  -0.082911
-    1SOL     O4    4   0.039393   0.080216  -0.245904
-    1SOL     H5    5   0.015526   0.172811  -0.250253
-    1SOL     H6    6   0.121595   0.074308  -0.294589
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005163  -0.079975  -0.052341
-    0SOL     H3    3  -0.026075  -0.029958   0.087091
-    1SOL     O4    4   0.257278   0.094960  -0.041343
-    1SOL     H5    5   0.172171   0.061138  -0.013502
-    1SOL     H6    6   0.249630   0.103931  -0.136334
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094785  -0.010643   0.008055
-    0SOL     H3    3  -0.026843  -0.069071  -0.060589
-    1SOL     O4    4  -0.060642   0.069304   0.248268
-    1SOL     H5    5   0.002892   0.003287   0.275971
-    1SOL     H6    6  -0.067688   0.057565   0.153532
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087930  -0.037623   0.003900
-    0SOL     H3    3  -0.049769  -0.060913  -0.054543
-    1SOL     O4    4  -0.054077   0.067544   0.264545
-    1SOL     H5    5   0.020349   0.033261   0.314020
-    1SOL     H6    6  -0.046716   0.026317   0.178472
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010682   0.093034  -0.019820
-    0SOL     H3    3   0.016243  -0.044299  -0.083283
-    1SOL     O4    4   0.335136   0.019967  -0.091098
-    1SOL     H5    5   0.426360  -0.006954  -0.080336
-    1SOL     H6    6   0.296338  -0.048140  -0.146040
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075495  -0.045587   0.037210
-    0SOL     H3    3   0.020153   0.007641  -0.093262
-    1SOL     O4    4  -0.246042   0.015496   0.140657
-    1SOL     H5    5  -0.233023   0.108755   0.157848
-    1SOL     H6    6  -0.166497  -0.011815   0.094950
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065531  -0.069399   0.007203
-    0SOL     H3    3  -0.048612   0.075582  -0.032963
-    1SOL     O4    4   0.122807   0.287145   0.041573
-    1SOL     H5    5   0.205269   0.245688   0.066943
-    1SOL     H6    6   0.106557   0.255790  -0.047393
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.034269   0.085685  -0.025416
-    0SOL     H3    3   0.070416  -0.017191  -0.062517
-    1SOL     O4    4   0.248063   0.180394   0.122896
-    1SOL     H5    5   0.267526   0.090043   0.147802
-    1SOL     H6    6   0.169322   0.202559   0.172605
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006971  -0.087425  -0.038349
-    0SOL     H3    3  -0.019785  -0.012839   0.092769
-    1SOL     O4    4   0.251734   0.126076  -0.039633
-    1SOL     H5    5   0.175554   0.086270   0.002492
-    1SOL     H6    6   0.222672   0.144985  -0.128852
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088842   0.016043   0.031812
-    0SOL     H3    3   0.052444   0.069948   0.038976
-    1SOL     O4    4   0.042124  -0.081618  -0.259631
-    1SOL     H5    5  -0.035252  -0.037178  -0.294277
-    1SOL     H6    6   0.047887  -0.052364  -0.168674
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082511  -0.033154   0.035427
-    0SOL     H3    3  -0.019657   0.020543  -0.091400
-    1SOL     O4    4  -0.242384  -0.115985   0.027640
-    1SOL     H5    5  -0.247097  -0.206152  -0.004141
-    1SOL     H6    6  -0.262317  -0.122388   0.121042
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.088086  -0.025029   0.027868
-    1SOL     O4    4   0.085736   0.205430   0.150226
-    1SOL     H5    5   0.175200   0.176389   0.132473
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-    6
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-    1SOL     H5    5   0.074987  -0.317764   0.085632
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.055779   0.190925   0.321746
-    1SOL     H5    5   0.068525   0.098705   0.344004
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-    6
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-    0SOL     H3    3  -0.025283   0.082157  -0.042112
-    1SOL     O4    4   0.086224   0.009231  -0.315159
-    1SOL     H5    5   0.020502  -0.037041  -0.263182
-    1SOL     H6    6   0.057692  -0.002398  -0.405785
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087583  -0.028117   0.026475
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-    1SOL     H5    5   0.137723  -0.063291  -0.252917
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.009938  -0.017374  -0.093604
-    1SOL     O4    4   0.040953  -0.067446  -0.258804
-    1SOL     H5    5   0.131410  -0.097868  -0.266178
-    1SOL     H6    6  -0.006589  -0.117165  -0.325362
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.048078  -0.091990   0.266911
-    1SOL     H5    5  -0.018233  -0.010162   0.306608
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089412   0.027559   0.020207
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-    1SOL     O4    4  -0.243513   0.097234   0.002273
-    1SOL     H5    5  -0.288340   0.020027  -0.032253
-    1SOL     H6    6  -0.281936   0.170693  -0.045578
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.239748  -0.100803  -0.004112
-    1SOL     H5    5  -0.249567  -0.176033  -0.062476
-    1SOL     H6    6  -0.254556  -0.136328   0.083529
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.011875  -0.023652  -0.091989
-    1SOL     O4    4  -0.178566  -0.276602  -0.032816
-    1SOL     H5    5  -0.260016  -0.326868  -0.034042
-    1SOL     H6    6  -0.197542  -0.198871  -0.085353
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.043780   0.017257   0.083353
-    1SOL     O4    4  -0.015772  -0.082083  -0.360710
-    1SOL     H5    5  -0.000621  -0.176589  -0.361834
-    1SOL     H6    6  -0.077164  -0.068476  -0.288542
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012522  -0.091288  -0.025922
-    0SOL     H3    3  -0.031957   0.003951   0.090141
-    1SOL     O4    4   0.240703   0.104882  -0.045056
-    1SOL     H5    5   0.166943   0.065509   0.001543
-    1SOL     H6    6   0.204842   0.129487  -0.130326
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016535   0.092533   0.018070
-    0SOL     H3    3  -0.014827  -0.003723  -0.094491
-    1SOL     O4    4   0.062049   0.278317   0.043017
-    1SOL     H5    5  -0.015778   0.330279   0.022890
-    1SOL     H6    6   0.058865   0.266091   0.137900
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094800   0.012924   0.002890
-    0SOL     H3    3   0.036554   0.087557   0.012646
-    1SOL     O4    4   0.042305  -0.083496   0.346682
-    1SOL     H5    5  -0.044553  -0.052634   0.320883
-    1SOL     H6    6   0.054212  -0.050094   0.435592
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012269  -0.094503   0.008999
-    0SOL     H3    3  -0.084976   0.017141   0.040591
-    1SOL     O4    4   0.052947  -0.251035   0.041147
-    1SOL     H5    5   0.145272  -0.274165   0.030976
-    1SOL     H6    6   0.005674  -0.332080   0.022193
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.041497  -0.060692   0.061293
-    0SOL     H3    3   0.026509   0.086773   0.030496
-    1SOL     O4    4   0.057763   0.068122  -0.262227
-    1SOL     H5    5   0.151217   0.059279  -0.280948
-    1SOL     H6    6   0.049743   0.046473  -0.169333
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002813   0.084442   0.044989
-    0SOL     H3    3  -0.003134   0.022262  -0.093042
-    1SOL     O4    4   0.030649   0.278540   0.064583
-    1SOL     H5    5  -0.029359   0.350144   0.043745
-    1SOL     H6    6   0.041124   0.282898   0.159629
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025080  -0.089248  -0.023837
-    0SOL     H3    3  -0.010700   0.003356   0.095061
-    1SOL     O4    4  -0.277080  -0.048186  -0.226568
-    1SOL     H5    5  -0.341235   0.009184  -0.268463
-    1SOL     H6    6  -0.281766  -0.025622  -0.133664
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-    6
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-    0SOL     H3    3   0.091869  -0.024619   0.010784
-    1SOL     O4    4  -0.067144   0.286797  -0.034992
-    1SOL     H5    5  -0.055439   0.192939  -0.020296
-    1SOL     H6    6  -0.145464   0.309363   0.015199
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006385   0.007869   0.095182
-    0SOL     H3    3   0.091843  -0.021567  -0.016190
-    1SOL     O4    4  -0.012168   0.059266   0.262196
-    1SOL     H5    5  -0.094548   0.062303   0.310844
-    1SOL     H6    6   0.029760  -0.021805   0.291036
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002519  -0.024202   0.092576
-    0SOL     H3    3  -0.005723  -0.083480  -0.046482
-    1SOL     O4    4   0.250647   0.113849  -0.044666
-    1SOL     H5    5   0.174659   0.076118  -0.000343
-    1SOL     H6    6   0.216718   0.144115  -0.128898
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084724   0.042914  -0.011940
-    0SOL     H3    3   0.022533   0.016432   0.091567
-    1SOL     O4    4   0.222709  -0.024447  -0.180223
-    1SOL     H5    5   0.254600  -0.111983  -0.158251
-    1SOL     H6    6   0.137125  -0.018721  -0.137740
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016923   0.093922   0.007381
-    0SOL     H3    3   0.093928  -0.006169  -0.017371
-    1SOL     O4    4  -0.209206  -0.164668  -0.026125
-    1SOL     H5    5  -0.129449  -0.111962  -0.021311
-    1SOL     H6    6  -0.195206  -0.235207   0.037046
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021333  -0.090300  -0.023517
-    0SOL     H3    3  -0.037701   0.011634   0.087210
-    1SOL     O4    4  -0.059393  -0.079048   0.276947
-    1SOL     H5    5  -0.021803  -0.166024   0.263367
-    1SOL     H6    6  -0.144516  -0.095744   0.317415
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001388   0.092622   0.024116
-    0SOL     H3    3  -0.016943  -0.000019  -0.094209
-    1SOL     O4    4   0.297684  -0.030411  -0.072573
-    1SOL     H5    5   0.378261  -0.081517  -0.080180
-    1SOL     H6    6   0.231095  -0.084044  -0.115605
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078678   0.045227  -0.030440
-    0SOL     H3    3  -0.001811   0.010110   0.095167
-    1SOL     O4    4   0.100667   0.247357  -0.204158
-    1SOL     H5    5   0.180321   0.261463  -0.255330
-    1SOL     H6    6   0.132081   0.222684  -0.117171
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082227  -0.046610   0.015115
-    0SOL     H3    3  -0.060794  -0.067643  -0.029847
-    1SOL     O4    4  -0.033752   0.074284   0.265092
-    1SOL     H5    5   0.033278   0.019297   0.305659
-    1SOL     H6    6  -0.037209   0.044728   0.174115
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/191/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074765  -0.027052   0.053298
-    0SOL     H3    3   0.022498  -0.027822  -0.088781
-    1SOL     O4    4   0.001925   0.159848  -0.341873
-    1SOL     H5    5   0.017906   0.070327  -0.311993
-    1SOL     H6    6  -0.069487   0.191270  -0.286416
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/192/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013429   0.094773   0.000070
-    0SOL     H3    3   0.082300  -0.012542  -0.047241
-    1SOL     O4    4   0.221669   0.006685  -0.179078
-    1SOL     H5    5   0.298174  -0.026041  -0.131768
-    1SOL     H6    6   0.232443  -0.026691  -0.268142
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071850  -0.042958   0.046416
-    0SOL     H3    3   0.006701   0.092061   0.025341
-    1SOL     O4    4   0.026392   0.065541   0.343068
-    1SOL     H5    5   0.029695   0.029020   0.431485
-    1SOL     H6    6  -0.052912   0.028191   0.304622
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077392  -0.055091   0.011743
-    0SOL     H3    3  -0.035115   0.087452  -0.016776
-    1SOL     O4    4   0.108620   0.055042  -0.322021
-    1SOL     H5    5   0.043091   0.012579  -0.266656
-    1SOL     H6    6   0.076288   0.042677  -0.411263
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018600  -0.012455   0.093066
-    0SOL     H3    3  -0.011577  -0.086816  -0.038616
-    1SOL     O4    4  -0.038054  -0.087249   0.254398
-    1SOL     H5    5  -0.050281  -0.181430   0.242451
-    1SOL     H6    6  -0.126850  -0.052256   0.261693
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064244   0.066235  -0.025456
-    0SOL     H3    3   0.012764   0.013772   0.093860
-    1SOL     O4    4   0.234115  -0.017806  -0.173598
-    1SOL     H5    5   0.238515  -0.113419  -0.174634
-    1SOL     H6    6   0.155484   0.002051  -0.122754
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/197/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087540   0.001190   0.038699
-    0SOL     H3    3   0.028364  -0.091105   0.007603
-    1SOL     O4    4  -0.277901   0.095818  -0.191595
-    1SOL     H5    5  -0.373231   0.104385  -0.190480
-    1SOL     H6    6  -0.246204   0.174656  -0.147526
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/198/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065811   0.053746  -0.044075
-    0SOL     H3    3  -0.006352   0.025060   0.092163
-    1SOL     O4    4  -0.213596   0.161077  -0.044903
-    1SOL     H5    5  -0.290884   0.120196  -0.005946
-    1SOL     H6    6  -0.236030   0.171574  -0.137363
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/199/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082849   0.046016  -0.013450
-    0SOL     H3    3   0.009162  -0.041322   0.085854
-    1SOL     O4    4  -0.228199   0.187952  -0.024803
-    1SOL     H5    5  -0.155119   0.159458   0.030058
-    1SOL     H6    6  -0.201697   0.165035  -0.113880
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/200/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039707  -0.076243   0.042102
-    0SOL     H3    3   0.061555   0.071385   0.016658
-    1SOL     O4    4  -0.057045   0.023194  -0.269184
-    1SOL     H5    5   0.021442   0.072782  -0.292487
-    1SOL     H6    6  -0.041629  -0.005187  -0.179078
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006086  -0.088080  -0.036976
-    0SOL     H3    3  -0.025009  -0.013988   0.091330
-    1SOL     O4    4   0.235511   0.114817  -0.065061
-    1SOL     H5    5   0.155211   0.069332  -0.039657
-    1SOL     H6    6   0.236577   0.110047  -0.160656
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081607   0.039066  -0.031249
-    0SOL     H3    3   0.002016   0.020230   0.093536
-    1SOL     O4    4  -0.049164   0.056871   0.266864
-    1SOL     H5    5  -0.010409   0.137696   0.300446
-    1SOL     H6    6  -0.143544   0.072610   0.269498
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025096   0.089294  -0.023645
-    0SOL     H3    3   0.082283  -0.014932  -0.046571
-    1SOL     O4    4   0.245029  -0.029970  -0.166371
-    1SOL     H5    5   0.251121  -0.068257  -0.253889
-    1SOL     H6    6   0.324508  -0.059248  -0.121782
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060173   0.061016   0.042645
-    0SOL     H3    3   0.016807  -0.084030   0.042647
-    1SOL     O4    4   0.212626   0.144450   0.103248
-    1SOL     H5    5   0.281119   0.107030   0.047833
-    1SOL     H6    6   0.217336   0.238648   0.086914
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071684  -0.049527   0.039632
-    0SOL     H3    3   0.009409  -0.015243  -0.094029
-    1SOL     O4    4   0.037996   0.258052   0.084992
-    1SOL     H5    5   0.057842   0.169950   0.053267
-    1SOL     H6    6   0.024671   0.247216   0.179158
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/206/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005713   0.090307  -0.031214
-    0SOL     H3    3   0.085015  -0.030884  -0.031319
-    1SOL     O4    4  -0.085761   0.255835  -0.052537
-    1SOL     H5    5  -0.174044   0.287160  -0.032858
-    1SOL     H6    6  -0.028021   0.325212  -0.020673
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005750  -0.093100   0.021485
-    0SOL     H3    3  -0.069048   0.033598   0.057148
-    1SOL     O4    4  -0.259935  -0.176629  -0.172611
-    1SOL     H5    5  -0.269835  -0.081425  -0.173265
-    1SOL     H6    6  -0.182966  -0.193128  -0.227071
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014676   0.088676   0.032917
-    0SOL     H3    3   0.029090   0.003112  -0.091139
-    1SOL     O4    4   0.037551   0.264935   0.054791
-    1SOL     H5    5  -0.033906   0.309357   0.009151
-    1SOL     H6    6   0.019818   0.280079   0.147627
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002823   0.089104   0.034854
-    0SOL     H3    3   0.018732   0.011266  -0.093191
-    1SOL     O4    4   0.015973   0.276244   0.065471
-    1SOL     H5    5  -0.067042   0.313410   0.035645
-    1SOL     H6    6   0.021421   0.300734   0.157844
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081220   0.006604   0.050219
-    0SOL     H3    3   0.060401   0.059752   0.044088
-    1SOL     O4    4  -0.237572  -0.019995   0.147926
-    1SOL     H5    5  -0.309753   0.029377   0.109010
-    1SOL     H6    6  -0.241749   0.000923   0.241239
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060746  -0.062463   0.039632
-    0SOL     H3    3  -0.022651  -0.038862  -0.084492
-    1SOL     O4    4   0.054866   0.286501   0.035951
-    1SOL     H5    5   0.034281   0.197961   0.005965
-    1SOL     H6    6   0.031489   0.286445   0.128773
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061794  -0.072735  -0.007311
-    0SOL     H3    3  -0.026554   0.061055  -0.068771
-    1SOL     O4    4  -0.212170  -0.227831  -0.024294
-    1SOL     H5    5  -0.211229  -0.323403  -0.019057
-    1SOL     H6    6  -0.291296  -0.201985   0.022965
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091554  -0.027637   0.004055
-    0SOL     H3    3  -0.043902  -0.069509  -0.049025
-    1SOL     O4    4  -0.008411   0.109465   0.280517
-    1SOL     H5    5   0.065634   0.055966   0.309109
-    1SOL     H6    6  -0.027362   0.078787   0.191849
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078369   0.022696  -0.050055
-    0SOL     H3    3   0.030127  -0.005190   0.090707
-    1SOL     O4    4  -0.145750  -0.203910  -0.114507
-    1SOL     H5    5  -0.223457  -0.154151  -0.139966
-    1SOL     H6    6  -0.082034  -0.137331  -0.088628
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015967  -0.092494  -0.018766
-    0SOL     H3    3  -0.027261   0.001516   0.091743
-    1SOL     O4    4   0.265940   0.093864  -0.001486
-    1SOL     H5    5   0.248753   0.118288  -0.092428
-    1SOL     H6    6   0.186013   0.049551   0.026979
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/216/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089501   0.031130   0.013517
-    0SOL     H3    3   0.055017   0.066217   0.041842
-    1SOL     O4    4   0.083819   0.200652   0.159384
-    1SOL     H5    5   0.165341   0.236012   0.123799
-    1SOL     H6    6   0.106831   0.171376   0.247564
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.047349  -0.058416   0.059228
-    0SOL     H3    3   0.010192  -0.039985  -0.086369
-    1SOL     O4    4   0.026894   0.270927   0.038795
-    1SOL     H5    5   0.006477   0.185169   0.001497
-    1SOL     H6    6  -0.006994   0.266887   0.128224
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071494  -0.063645   0.000480
-    0SOL     H3    3  -0.037334   0.077719  -0.041573
-    1SOL     O4    4   0.165189   0.277036   0.088873
-    1SOL     H5    5   0.234443   0.222774   0.126580
-    1SOL     H6    6   0.175884   0.267269  -0.005745
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006476   0.084706   0.044106
-    0SOL     H3    3   0.018526   0.019317  -0.091902
-    1SOL     O4    4   0.070086   0.269091   0.057151
-    1SOL     H5    5   0.008862   0.328222   0.013362
-    1SOL     H6    6   0.052505   0.281144   0.150468
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/220/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004174  -0.084645  -0.044498
-    0SOL     H3    3  -0.019735  -0.019992   0.091505
-    1SOL     O4    4  -0.052212  -0.030117   0.259463
-    1SOL     H5    5  -0.140832  -0.007349   0.287577
-    1SOL     H6    6  -0.049673  -0.125731   0.263192
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/221/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063647   0.049164  -0.051907
-    0SOL     H3    3   0.032997   0.005261   0.089699
-    1SOL     O4    4  -0.187942  -0.181848  -0.095255
-    1SOL     H5    5  -0.271091  -0.140278  -0.118072
-    1SOL     H6    6  -0.131238  -0.109313  -0.069070
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/222/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090338  -0.016953   0.026719
-    0SOL     H3    3  -0.006145   0.021599  -0.093049
-    1SOL     O4    4  -0.267597  -0.088925   0.031959
-    1SOL     H5    5  -0.270994  -0.164770  -0.026337
-    1SOL     H6    6  -0.268113  -0.126334   0.120065
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/223/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074133  -0.041587   0.044013
-    0SOL     H3    3   0.007540  -0.027899  -0.091253
-    1SOL     O4    4  -0.145763  -0.271016  -0.079664
-    1SOL     H5    5  -0.222592  -0.327877  -0.074532
-    1SOL     H6    6  -0.178448  -0.189981  -0.118745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/224/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069073  -0.051523   0.041673
-    0SOL     H3    3   0.002738  -0.026180  -0.092029
-    1SOL     O4    4   0.194837  -0.180367   0.079764
-    1SOL     H5    5   0.266927  -0.128682   0.043791
-    1SOL     H6    6   0.213175  -0.185086   0.173592
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/225/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003850   0.090978   0.029505
-    0SOL     H3    3  -0.021252   0.004090  -0.093241
-    1SOL     O4    4   0.004454   0.266517   0.068161
-    1SOL     H5    5  -0.083670   0.302796   0.059200
-    1SOL     H6    6   0.031054   0.289784   0.157118
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/226/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071446   0.063087  -0.008819
-    0SOL     H3    3   0.043051  -0.081603   0.025493
-    1SOL     O4    4  -0.054049  -0.027633  -0.275617
-    1SOL     H5    5   0.009780   0.037789  -0.304045
-    1SOL     H6    6  -0.037477  -0.038209  -0.181938
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/227/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022006   0.092319  -0.012458
-    0SOL     H3    3   0.084380  -0.010695  -0.043909
-    1SOL     O4    4  -0.033543  -0.029963   0.263024
-    1SOL     H5    5  -0.034995   0.062494   0.287761
-    1SOL     H6    6  -0.017581  -0.029307   0.168647
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/228/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.066787   0.063732   0.025298
-    0SOL     H3    3   0.033444  -0.083789   0.031988
-    1SOL     O4    4   0.199668   0.174885   0.058451
-    1SOL     H5    5   0.287422   0.153844   0.026531
-    1SOL     H6    6   0.186560   0.266494   0.033993
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/229/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093652   0.015931   0.011736
-    0SOL     H3    3   0.042072   0.053616   0.067213
-    1SOL     O4    4  -0.208537   0.047227  -0.298445
-    1SOL     H5    5  -0.275794  -0.012676  -0.266034
-    1SOL     H6    6  -0.239935   0.074117  -0.384777
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/230/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082087   0.047325  -0.013579
-    0SOL     H3    3  -0.001565  -0.018905   0.093822
-    1SOL     O4    4  -0.147389  -0.154627  -0.178469
-    1SOL     H5    5  -0.237551  -0.137784  -0.151093
-    1SOL     H6    6  -0.094310  -0.098118  -0.122329
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/231/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069591   0.048565  -0.044282
-    0SOL     H3    3  -0.014610   0.016670   0.093118
-    1SOL     O4    4  -0.034243  -0.255998  -0.064701
-    1SOL     H5    5  -0.012585  -0.167752  -0.034603
-    1SOL     H6    6  -0.020872  -0.253001  -0.159435
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/232/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083240  -0.028510  -0.037690
-    0SOL     H3    3  -0.066399  -0.048465  -0.049037
-    1SOL     O4    4  -0.001094   0.092363   0.252855
-    1SOL     H5    5   0.074316   0.046291   0.289638
-    1SOL     H6    6  -0.010228   0.056722   0.164488
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/233/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075945   0.057863  -0.006817
-    0SOL     H3    3   0.034520  -0.080445   0.038720
-    1SOL     O4    4   0.137102  -0.188328   0.150940
-    1SOL     H5    5   0.132622  -0.269245   0.100002
-    1SOL     H6    6   0.117101  -0.215266   0.240588
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/234/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.026577   0.091182   0.011911
-    0SOL     H3    3   0.089254   0.005286  -0.034179
-    1SOL     O4    4  -0.026778  -0.060728   0.247155
-    1SOL     H5    5  -0.036636   0.032802   0.264965
-    1SOL     H6    6  -0.004312  -0.065224   0.154217
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/235/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.035656  -0.055884   0.069050
-    0SOL     H3    3   0.057596   0.076444  -0.001141
-    1SOL     O4    4  -0.244607   0.085248   0.026330
-    1SOL     H5    5  -0.282589   0.083723  -0.061518
-    1SOL     H6    6  -0.153015   0.060682   0.013305
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/236/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069715   0.048111  -0.044581
-    0SOL     H3    3  -0.016074   0.015249   0.093120
-    1SOL     O4    4  -0.087216   0.045633   0.268977
-    1SOL     H5    5  -0.176998   0.078800   0.270128
-    1SOL     H6    6  -0.035319   0.115471   0.308874
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/237/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022947  -0.082389  -0.042986
-    0SOL     H3    3  -0.025827  -0.012565   0.091310
-    1SOL     O4    4  -0.053955  -0.281386  -0.031956
-    1SOL     H5    5   0.022140  -0.338905  -0.023990
-    1SOL     H6    6  -0.071767  -0.278030  -0.125944
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/238/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024245  -0.005158  -0.092455
-    0SOL     H3    3  -0.093227  -0.021646   0.001607
-    1SOL     O4    4   0.363400   0.007591  -0.062879
-    1SOL     H5    5   0.456954  -0.011956  -0.068158
-    1SOL     H6    6   0.320650  -0.069312  -0.100571
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/239/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.023908   0.090916  -0.018029
-    0SOL     H3    3   0.076479  -0.016113  -0.055259
-    1SOL     O4    4   0.207824  -0.010266  -0.185167
-    1SOL     H5    5   0.285776  -0.065776  -0.183052
-    1SOL     H6    6   0.190020   0.002563  -0.278338
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/240/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004355   0.095072   0.010236
-    0SOL     H3    3   0.083679  -0.015617  -0.043775
-    1SOL     O4    4   0.010592  -0.058552   0.292047
-    1SOL     H5    5   0.017840   0.032753   0.319852
-    1SOL     H6    6   0.028586  -0.056516   0.198055
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/241/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.050875   0.078476   0.020387
-    0SOL     H3    3   0.030934  -0.065564   0.062504
-    1SOL     O4    4  -0.035091   0.053260  -0.260186
-    1SOL     H5    5  -0.020827   0.044227  -0.165967
-    1SOL     H6    6   0.048776   0.084342  -0.294284
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/242/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075449   0.040632  -0.042648
-    0SOL     H3    3  -0.020527   0.003415   0.093431
-    1SOL     O4    4  -0.044690   0.034587   0.259305
-    1SOL     H5    5  -0.134880   0.060340   0.278406
-    1SOL     H6    6   0.008703   0.104786   0.296501
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/243/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.056373  -0.076150  -0.013621
-    0SOL     H3    3  -0.039404   0.068905  -0.053495
-    1SOL     O4    4  -0.240043  -0.117297  -0.047999
-    1SOL     H5    5  -0.232396  -0.211046  -0.030253
-    1SOL     H6    6  -0.266640  -0.079128   0.035655
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/244/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078652   0.054475   0.002942
-    0SOL     H3    3   0.070455   0.057995   0.028897
-    1SOL     O4    4   0.198069   0.204862  -0.162425
-    1SOL     H5    5   0.254315   0.130662  -0.140217
-    1SOL     H6    6   0.253119   0.281843  -0.148086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/245/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.021715   0.090572   0.022081
-    0SOL     H3    3   0.001432  -0.002380  -0.095680
-    1SOL     O4    4  -0.262551  -0.071948  -0.000068
-    1SOL     H5    5  -0.181164  -0.024824  -0.017891
-    1SOL     H6    6  -0.264491  -0.081321   0.095173
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/246/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016155  -0.055757   0.076109
-    0SOL     H3    3  -0.013098   0.087446   0.036660
-    1SOL     O4    4   0.011443   0.063410  -0.260244
-    1SOL     H5    5   0.089364   0.031696  -0.305903
-    1SOL     H6    6   0.018214   0.026006  -0.172395
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/247/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028040   0.007450   0.091217
-    0SOL     H3    3   0.095525   0.004789   0.003790
-    1SOL     O4    4  -0.103742   0.220846  -0.147353
-    1SOL     H5    5  -0.073599   0.135907  -0.115118
-    1SOL     H6    6  -0.023904   0.272932  -0.156028
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/248/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.014900  -0.088617  -0.032976
-    0SOL     H3    3  -0.031352  -0.002448   0.090407
-    1SOL     O4    4   0.282916   0.070235  -0.039813
-    1SOL     H5    5   0.256558   0.091522  -0.129337
-    1SOL     H6    6   0.202782   0.038635   0.001926
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/249/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086966  -0.038019   0.012401
-    0SOL     H3    3  -0.056224  -0.074783  -0.020216
-    1SOL     O4    4  -0.057851   0.101134   0.275285
-    1SOL     H5    5   0.002388   0.036444   0.312011
-    1SOL     H6    6  -0.063026   0.079033   0.182295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/250/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024508  -0.090691  -0.018352
-    0SOL     H3    3  -0.006010   0.007685   0.095222
-    1SOL     O4    4  -0.132971   0.195503  -0.153066
-    1SOL     H5    5  -0.068394   0.254652  -0.114420
-    1SOL     H6    6  -0.105878   0.108311  -0.124329
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/251/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089444  -0.033020   0.008474
-    0SOL     H3    3   0.003523   0.037435  -0.088026
-    1SOL     O4    4   0.210087  -0.208342   0.031905
-    1SOL     H5    5   0.137139  -0.154613   0.001017
-    1SOL     H6    6   0.221626  -0.182811   0.123433
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/252/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086072   0.040194  -0.011759
-    0SOL     H3    3   0.006699  -0.047214   0.082996
-    1SOL     O4    4   0.166322  -0.261552   0.070206
-    1SOL     H5    5   0.073602  -0.264956   0.093739
-    1SOL     H6    6   0.197517  -0.351202   0.082534
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/253/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044389  -0.081909   0.021975
-    0SOL     H3    3  -0.093224  -0.020803   0.006234
-    1SOL     O4    4   0.077551   0.028316   0.356649
-    1SOL     H5    5   0.079176  -0.066980   0.347798
-    1SOL     H6    6   0.055252   0.043511   0.448487
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/254/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.095015   0.009633   0.006460
-    0SOL     H3    3  -0.014707  -0.034291  -0.088148
-    1SOL     O4    4  -0.047449   0.181051   0.330518
-    1SOL     H5    5  -0.102687   0.208113   0.403857
-    1SOL     H6    6  -0.027846   0.088992   0.347930
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/255/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084122   0.040831  -0.020459
-    0SOL     H3    3   0.018323   0.026634   0.090096
-    1SOL     O4    4  -0.033382  -0.277682  -0.061679
-    1SOL     H5    5  -0.019513  -0.186442  -0.036278
-    1SOL     H6    6  -0.034323  -0.276073  -0.157381
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005573  -0.089105  -0.034520
-    0SOL     H3    3  -0.011082  -0.011477   0.094381
-    1SOL     O4    4  -0.114790   0.182447  -0.217578
-    1SOL     H5    5  -0.041194   0.243255  -0.224530
-    1SOL     H6    6  -0.086953   0.118471  -0.152045
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017042  -0.093323   0.012753
-    0SOL     H3    3  -0.089447   0.012608   0.031663
-    1SOL     O4    4   0.017664   0.064265  -0.256542
-    1SOL     H5    5   0.031709  -0.027173  -0.281120
-    1SOL     H6    6  -0.000513   0.061346  -0.162609
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.090027  -0.021220  -0.024640
-    0SOL     H3    3  -0.054004  -0.055293  -0.056467
-    1SOL     O4    4   0.171085  -0.069995   0.247325
-    1SOL     H5    5   0.239915  -0.023321   0.199931
-    1SOL     H6    6   0.213792  -0.101171   0.327115
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006239   0.094909  -0.010759
-    0SOL     H3    3   0.090738  -0.020768  -0.022306
-    1SOL     O4    4  -0.191825  -0.193417  -0.006623
-    1SOL     H5    5  -0.114954  -0.136437  -0.009178
-    1SOL     H6    6  -0.158720  -0.276910   0.026472
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/260/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073282   0.050884  -0.034682
-    0SOL     H3    3   0.000886   0.019939   0.093616
-    1SOL     O4    4  -0.071677   0.075132   0.266618
-    1SOL     H5    5  -0.150705   0.129141   0.266726
-    1SOL     H6    6  -0.003615   0.132118   0.302429
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082784  -0.040391  -0.026033
-    0SOL     H3    3  -0.005613   0.089666  -0.033029
-    1SOL     O4    4   0.116295  -0.016244  -0.319518
-    1SOL     H5    5   0.150821  -0.007443  -0.408359
-    1SOL     H6    6   0.027032  -0.048639  -0.331559
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.027645  -0.089943   0.017562
-    0SOL     H3    3  -0.076137   0.013170   0.056498
-    1SOL     O4    4   0.233932   0.143113   0.004777
-    1SOL     H5    5   0.184774   0.209206  -0.043982
-    1SOL     H6    6   0.177793   0.065597   0.003414
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/263/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084888   0.034095  -0.028175
-    0SOL     H3    3   0.011958  -0.020523   0.092726
-    1SOL     O4    4   0.233883   0.098427  -0.100192
-    1SOL     H5    5   0.259844   0.181157  -0.059645
-    1SOL     H6    6   0.282196   0.095982  -0.182788
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/264/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053364   0.078577   0.011841
-    0SOL     H3    3   0.054977  -0.071426   0.032220
-    1SOL     O4    4   0.172073   0.203523   0.067158
-    1SOL     H5    5   0.129947   0.289029   0.058413
-    1SOL     H6    6   0.248443   0.208403   0.009659
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/265/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016307  -0.004894   0.094194
-    0SOL     H3    3   0.078441   0.041559  -0.035808
-    1SOL     O4    4  -0.182906   0.187544  -0.021035
-    1SOL     H5    5  -0.129584   0.110792  -0.000341
-    1SOL     H6    6  -0.271664   0.153122  -0.031008
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/266/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.089108  -0.033599  -0.009650
-    0SOL     H3    3  -0.055799  -0.069710  -0.034485
-    1SOL     O4    4  -0.134840  -0.220171  -0.158590
-    1SOL     H5    5  -0.218683  -0.244733  -0.119482
-    1SOL     H6    6  -0.157226  -0.190893  -0.246931
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/267/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089585   0.029902   0.015579
-    0SOL     H3    3   0.053295   0.051117   0.060902
-    1SOL     O4    4   0.055088  -0.066871  -0.274250
-    1SOL     H5    5  -0.010858  -0.025710  -0.330099
-    1SOL     H6    6   0.034048  -0.036553  -0.185929
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/268/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064086   0.067657  -0.021860
-    0SOL     H3    3   0.054215  -0.007958  -0.078484
-    1SOL     O4    4  -0.100451   0.258874  -0.076849
-    1SOL     H5    5  -0.190476   0.290188  -0.085634
-    1SOL     H6    6  -0.049898   0.337072  -0.054674
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/269/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002294  -0.092437  -0.024750
-    0SOL     H3    3  -0.044415   0.003268   0.084729
-    1SOL     O4    4  -0.217902   0.177925   0.228348
-    1SOL     H5    5  -0.160589   0.239592   0.182798
-    1SOL     H6    6  -0.185191   0.176715   0.318298
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/270/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036680  -0.086026   0.020406
-    0SOL     H3    3  -0.009681  -0.000014  -0.095229
-    1SOL     O4    4   0.115650   0.214495   0.124099
-    1SOL     H5    5   0.166799   0.182680   0.198490
-    1SOL     H6    6   0.079819   0.135313   0.083992
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/271/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045108  -0.070594   0.046304
-    0SOL     H3    3  -0.046363   0.007455  -0.083410
-    1SOL     O4    4   0.180276   0.165314   0.144167
-    1SOL     H5    5   0.265068   0.121147   0.139489
-    1SOL     H6    6   0.122225   0.111588   0.090260
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/272/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080191  -0.040740   0.032741
-    0SOL     H3    3  -0.007010  -0.006366  -0.095251
-    1SOL     O4    4   0.125438   0.212588   0.156587
-    1SOL     H5    5   0.219395   0.203420   0.140765
-    1SOL     H6    6   0.085131   0.145796   0.101120
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/273/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002776  -0.094107  -0.017277
-    0SOL     H3    3  -0.083741   0.019126   0.042237
-    1SOL     O4    4   0.046903  -0.262371   0.007760
-    1SOL     H5    5   0.005759  -0.332064  -0.043352
-    1SOL     H6    6   0.140794  -0.274429  -0.006437
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/274/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013619  -0.093920  -0.012484
-    0SOL     H3    3  -0.032485   0.017427   0.088337
-    1SOL     O4    4   0.190163   0.108676   0.292009
-    1SOL     H5    5   0.104997   0.065073   0.289216
-    1SOL     H6    6   0.175910   0.192067   0.247229
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076784  -0.056238  -0.010191
-    0SOL     H3    3  -0.031711   0.087901  -0.020740
-    1SOL     O4    4  -0.207080  -0.153167  -0.063368
-    1SOL     H5    5  -0.295546  -0.148506  -0.027114
-    1SOL     H6    6  -0.189440  -0.246883  -0.071637
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016058  -0.075156  -0.057062
-    0SOL     H3    3   0.093544  -0.004453   0.019798
-    1SOL     O4    4   0.289109  -0.101891   0.017003
-    1SOL     H5    5   0.291906  -0.188439   0.057794
-    1SOL     H6    6   0.380934  -0.075942   0.009449
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078489   0.039374  -0.038098
-    0SOL     H3    3   0.027182  -0.027936   0.087425
-    1SOL     O4    4   0.260900   0.100055  -0.021793
-    1SOL     H5    5   0.269176   0.187407   0.016464
-    1SOL     H6    6   0.275123   0.113449  -0.115498
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061252   0.061278  -0.040689
-    0SOL     H3    3  -0.008172   0.016693   0.093898
-    1SOL     O4    4  -0.174961   0.194931  -0.067814
-    1SOL     H5    5  -0.267242   0.186052  -0.043989
-    1SOL     H6    6  -0.174176   0.189128  -0.163355
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005021  -0.079854  -0.052540
-    0SOL     H3    3  -0.008141  -0.031072   0.090170
-    1SOL     O4    4  -0.015065  -0.288524  -0.043006
-    1SOL     H5    5   0.066956  -0.329674  -0.015776
-    1SOL     H6    6  -0.021583  -0.307609  -0.136577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/280/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085378  -0.042325   0.009025
-    0SOL     H3    3   0.011607   0.010731  -0.094406
-    1SOL     O4    4   0.247562  -0.169003   0.023067
-    1SOL     H5    5   0.169342  -0.133091  -0.018818
-    1SOL     H6    6   0.235500  -0.150593   0.116222
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067001   0.050402  -0.046183
-    0SOL     H3    3   0.043778  -0.031206   0.079196
-    1SOL     O4    4   0.104146  -0.055438   0.249620
-    1SOL     H5    5   0.182113  -0.001014   0.260641
-    1SOL     H6    6   0.122719  -0.134509   0.300267
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/282/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030908  -0.003619  -0.090520
-    0SOL     H3    3   0.010588   0.091700   0.025326
-    1SOL     O4    4   0.059714   0.037224  -0.266879
-    1SOL     H5    5   0.032587   0.127897  -0.281190
-    1SOL     H6    6   0.147423   0.032133  -0.304874
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077817   0.049450  -0.025721
-    0SOL     H3    3   0.008726   0.016142   0.093945
-    1SOL     O4    4   0.129279   0.287221   0.037755
-    1SOL     H5    5   0.130136   0.274102  -0.057058
-    1SOL     H6    6   0.132591   0.198793   0.074249
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068174   0.050392  -0.044443
-    0SOL     H3    3  -0.077212   0.056511  -0.002678
-    1SOL     O4    4  -0.025681   0.184142  -0.263900
-    1SOL     H5    5  -0.039345   0.216699  -0.352869
-    1SOL     H6    6   0.024030   0.103149  -0.275353
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.070469  -0.040797  -0.050319
-    0SOL     H3    3  -0.071439  -0.063648  -0.002789
-    1SOL     O4    4  -0.208152  -0.187487  -0.026630
-    1SOL     H5    5  -0.292471  -0.174609   0.016806
-    1SOL     H6    6  -0.193004  -0.281893  -0.022123
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020255   0.067672   0.064595
-    0SOL     H3    3  -0.088690  -0.028456   0.022059
-    1SOL     O4    4   0.210831  -0.169301   0.038484
-    1SOL     H5    5   0.195549  -0.131810   0.125221
-    1SOL     H6    6   0.143070  -0.130349  -0.016774
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/287/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095264   0.003867  -0.008490
-    0SOL     H3    3   0.024719   0.086529   0.032620
-    1SOL     O4    4   0.118789   0.228596   0.095265
-    1SOL     H5    5   0.185011   0.266817   0.037679
-    1SOL     H6    6   0.157214   0.233775   0.182781
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/288/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.065274  -0.060166  -0.035801
-    0SOL     H3    3   0.020605   0.004992   0.093343
-    1SOL     O4    4   0.074195   0.231338  -0.135014
-    1SOL     H5    5   0.042184   0.148489  -0.099325
-    1SOL     H6    6   0.004922   0.294358  -0.115215
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008160   0.093058   0.020879
-    0SOL     H3    3   0.013282  -0.004606  -0.094682
-    1SOL     O4    4  -0.260226  -0.086098   0.014970
-    1SOL     H5    5  -0.224333  -0.124433   0.094997
-    1SOL     H6    6  -0.190019  -0.030302  -0.018496
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083247   0.034418  -0.032369
-    0SOL     H3    3   0.013681  -0.011382   0.094051
-    1SOL     O4    4   0.241484   0.108152  -0.081113
-    1SOL     H5    5   0.251334   0.202406  -0.067638
-    1SOL     H6    6   0.296502   0.088885  -0.157035
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/291/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013798   0.091634   0.023981
-    0SOL     H3    3   0.005298  -0.000856  -0.095570
-    1SOL     O4    4   0.133826  -0.209201   0.172543
-    1SOL     H5    5   0.070119  -0.280526   0.168485
-    1SOL     H6    6   0.096034  -0.140140   0.118094
-  3.000000   3.000000   3.000000
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-    6
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-    6
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-    1SOL     H5    5   0.174097  -0.287990  -0.218637
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-    6
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-    1SOL     H5    5  -0.011271  -0.193412   0.002599
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-    6
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-    1SOL     O4    4  -0.131001  -0.213513  -0.135346
-    1SOL     H5    5  -0.138645  -0.217147  -0.230691
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-    6
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-    1SOL     H5    5  -0.223421   0.090968   0.196433
-    1SOL     H6    6  -0.310449   0.012363   0.100692
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-    6
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-    0SOL     H3    3  -0.026780  -0.000746   0.091895
-    1SOL     O4    4  -0.026781  -0.293967  -0.074488
-    1SOL     H5    5   0.046133  -0.333422  -0.026644
-    1SOL     H6    6  -0.006117  -0.309348  -0.166677
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079244   0.030824   0.043961
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-    1SOL     O4    4  -0.346126  -0.070168  -0.062686
-    1SOL     H5    5  -0.301910  -0.014467   0.001381
-    1SOL     H6    6  -0.438727  -0.047376  -0.054447
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093366   0.014705   0.015127
-    0SOL     H3    3   0.041651   0.082459   0.025061
-    1SOL     O4    4  -0.082434   0.355256   0.117237
-    1SOL     H5    5  -0.004856   0.309643   0.149846
-    1SOL     H6    6  -0.082638   0.337966   0.023092
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051872  -0.015925   0.078855
-    0SOL     H3    3  -0.075936   0.049464   0.030810
-    1SOL     O4    4  -0.092108  -0.267752   0.195980
-    1SOL     H5    5  -0.099516  -0.258690   0.290981
-    1SOL     H6    6  -0.004329  -0.235493   0.175567
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074342  -0.052381   0.029864
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-    1SOL     O4    4  -0.169716   0.210163   0.178158
-    1SOL     H5    5  -0.179266   0.305181   0.184686
-    1SOL     H6    6  -0.139804   0.195155   0.088478
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087286   0.039110   0.003736
-    0SOL     H3    3   0.006741  -0.078915   0.053752
-    1SOL     O4    4   0.181724  -0.243679   0.125499
-    1SOL     H5    5   0.146194  -0.325238   0.090171
-    1SOL     H6    6   0.161367  -0.247131   0.218966
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028805  -0.075820  -0.050832
-    0SOL     H3    3  -0.077933   0.055116   0.007143
-    1SOL     O4    4  -0.215512   0.131317   0.010770
-    1SOL     H5    5  -0.247987   0.156673  -0.075629
-    1SOL     H6    6  -0.287911   0.082777   0.050325
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052623  -0.069718   0.039148
-    0SOL     H3    3  -0.021854  -0.002861  -0.093148
-    1SOL     O4    4  -0.239379  -0.139085  -0.003586
-    1SOL     H5    5  -0.261268  -0.224088  -0.041765
-    1SOL     H6    6  -0.260196  -0.148452   0.089372
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.057938   0.065681   0.038620
-    0SOL     H3    3  -0.080257   0.047928  -0.020591
-    1SOL     O4    4  -0.127213   0.157469  -0.336479
-    1SOL     H5    5  -0.140681   0.182802  -0.427798
-    1SOL     H6    6  -0.215031   0.137930  -0.303792
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018247   0.007886  -0.093633
-    0SOL     H3    3  -0.080348  -0.036449   0.037122
-    1SOL     O4    4  -0.080173   0.013300  -0.269008
-    1SOL     H5    5  -0.123873  -0.067489  -0.295947
-    1SOL     H6    6  -0.132589   0.083153  -0.308192
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002785   0.016386   0.094266
-    0SOL     H3    3  -0.077002   0.048024  -0.030442
-    1SOL     O4    4  -0.047452  -0.284154  -0.055851
-    1SOL     H5    5  -0.046184  -0.211419   0.006362
-    1SOL     H6    6  -0.036367  -0.242732  -0.141429
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008336   0.087586   0.037704
-    0SOL     H3    3   0.007952   0.013656  -0.094407
-    1SOL     O4    4   0.247857   0.074120   0.200011
-    1SOL     H5    5   0.283028   0.162966   0.194380
-    1SOL     H6    6   0.312506   0.025942   0.251603
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019490   0.091514   0.020191
-    0SOL     H3    3   0.004212  -0.004928  -0.095500
-    1SOL     O4    4   0.051154   0.275653   0.047972
-    1SOL     H5    5  -0.017187   0.328330   0.006534
-    1SOL     H6    6   0.051014   0.303825   0.139452
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045901  -0.077322  -0.032814
-    0SOL     H3    3  -0.045730   0.073891  -0.040140
-    1SOL     O4    4  -0.160687  -0.198242  -0.101181
-    1SOL     H5    5  -0.255445  -0.186278  -0.094846
-    1SOL     H6    6  -0.148106  -0.293021  -0.096605
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.019381   0.003399   0.093676
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-    1SOL     H5    5  -0.116038  -0.051925   0.324824
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-    6
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-    0SOL     H3    3   0.010814  -0.036406   0.087863
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-    1SOL     H5    5  -0.149332   0.138304  -0.056707
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.237035  -0.168558  -0.073731
-    1SOL     H5    5  -0.320546  -0.175337  -0.027446
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.023708  -0.161313   0.073588
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082161   0.033057  -0.036320
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-    1SOL     H6    6   0.069389   0.103159   0.301129
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.033204  -0.076137  -0.047570
-    1SOL     O4    4  -0.009982   0.069467   0.253708
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.087035  -0.039536  -0.004903
-    1SOL     O4    4   0.212786  -0.207509  -0.025743
-    1SOL     H5    5   0.301036  -0.184610  -0.054894
-    1SOL     H6    6   0.155239  -0.149469  -0.075564
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.086465  -0.024495   0.032958
-    1SOL     O4    4   0.346798   0.283450   0.124870
-    1SOL     H5    5   0.431768   0.251075   0.154778
-    1SOL     H6    6   0.349236   0.272942   0.029760
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.083926   0.284116   0.037956
-    1SOL     H5    5   0.057486   0.208235  -0.014057
-    1SOL     H6    6   0.053764   0.264152   0.126579
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-    6
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-    0SOL     H3    3  -0.079380   0.016143   0.050995
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-    1SOL     H5    5  -0.255766  -0.001734   0.218540
-    1SOL     H6    6  -0.286869  -0.083800   0.095184
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086441  -0.040619  -0.006355
-    0SOL     H3    3  -0.059373  -0.063539  -0.040000
-    1SOL     O4    4   0.279818  -0.082934  -0.058431
-    1SOL     H5    5   0.317008  -0.012327  -0.005574
-    1SOL     H6    6   0.307072  -0.163161  -0.013899
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065527  -0.067001   0.019477
-    0SOL     H3    3  -0.051095   0.078354  -0.020305
-    1SOL     O4    4   0.075360   0.022546   0.314622
-    1SOL     H5    5  -0.013592  -0.006307   0.335048
-    1SOL     H6    6   0.074465   0.038056   0.220171
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091881   0.022700   0.014312
-    0SOL     H3    3   0.016617   0.023605  -0.091263
-    1SOL     O4    4   0.123988   0.071298  -0.240108
-    1SOL     H5    5   0.130507   0.149932  -0.294297
-    1SOL     H6    6   0.134371  -0.001227  -0.301709
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061282   0.057920  -0.045301
-    0SOL     H3    3  -0.001855   0.029566   0.091020
-    1SOL     O4    4  -0.232237   0.162410  -0.037125
-    1SOL     H5    5  -0.278915   0.081800  -0.015088
-    1SOL     H6    6  -0.241061   0.170044  -0.132131
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084888   0.040558   0.017649
-    0SOL     H3    3   0.062485   0.072402   0.003998
-    1SOL     O4    4   0.160201   0.237294   0.114139
-    1SOL     H5    5   0.222302   0.285751   0.059754
-    1SOL     H6    6   0.210837   0.211411   0.191135
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089682  -0.002756   0.033345
-    0SOL     H3    3   0.023592  -0.091847  -0.013030
-    1SOL     O4    4  -0.261708  -0.016982   0.096466
-    1SOL     H5    5  -0.324211   0.041107   0.053091
-    1SOL     H6    6  -0.265031   0.008704   0.188616
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044612   0.073087   0.042784
-    0SOL     H3    3  -0.092098   0.025999  -0.002072
-    1SOL     O4    4   0.159887   0.205934   0.092997
-    1SOL     H5    5   0.221932   0.235229   0.026255
-    1SOL     H6    6   0.207661   0.214337   0.175515
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081846   0.037128  -0.032939
-    0SOL     H3    3   0.023861  -0.040490   0.083388
-    1SOL     O4    4   0.290350   0.091043  -0.024599
-    1SOL     H5    5   0.260695   0.174177   0.012438
-    1SOL     H6    6   0.293864   0.106705  -0.118964
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-    6
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-    0SOL     H2    2   0.015183   0.091111   0.025112
-    0SOL     H3    3  -0.095011  -0.010661   0.004652
-    1SOL     O4    4   0.328931  -0.008663  -0.056449
-    1SOL     H5    5   0.335592  -0.101151  -0.080198
-    1SOL     H6    6   0.304197  -0.009350   0.036017
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/330/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036292   0.084527   0.026465
-    0SOL     H3    3   0.071315  -0.062246   0.014212
-    1SOL     O4    4   0.219388  -0.177066   0.058346
-    1SOL     H5    5   0.264142  -0.195818   0.140855
-    1SOL     H6    6   0.166398  -0.254988   0.041537
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/331/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.046150  -0.082160  -0.016801
-    0SOL     H3    3  -0.050660   0.066073  -0.047227
-    1SOL     O4    4  -0.055131  -0.204333   0.259091
-    1SOL     H5    5  -0.042441  -0.253359   0.177865
-    1SOL     H6    6  -0.034472  -0.267007   0.328427
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.072645  -0.062169  -0.004483
-    0SOL     H3    3   0.074983  -0.048147  -0.034954
-    1SOL     O4    4   0.062960   0.011636   0.272621
-    1SOL     H5    5   0.062663   0.004890   0.177140
-    1SOL     H6    6   0.021001  -0.069038   0.302511
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069592  -0.027743   0.059579
-    0SOL     H3    3   0.027602  -0.032223  -0.085803
-    1SOL     O4    4  -0.048910  -0.267678   0.179644
-    1SOL     H5    5  -0.124629  -0.291274   0.233238
-    1SOL     H6    6  -0.081975  -0.268244   0.089818
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087711  -0.033697  -0.018266
-    0SOL     H3    3  -0.058168  -0.054517  -0.052979
-    1SOL     O4    4   0.274081  -0.050798  -0.032871
-    1SOL     H5    5   0.364145  -0.075895  -0.012353
-    1SOL     H6    6   0.267568   0.040434  -0.004647
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.089933  -0.030212   0.012715
-    0SOL     H3    3  -0.020579  -0.023322  -0.090526
-    1SOL     O4    4   0.240450  -0.123268   0.057622
-    1SOL     H5    5   0.274479  -0.110263   0.146138
-    1SOL     H6    6   0.310355  -0.091988   0.000200
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/336/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018791   0.000608  -0.093855
-    0SOL     H3    3   0.062914  -0.071231   0.011418
-    1SOL     O4    4   0.036491  -0.261854   0.077572
-    1SOL     H5    5  -0.009892  -0.317283   0.014813
-    1SOL     H6    6   0.125204  -0.297701   0.080271
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/337/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086123   0.019852  -0.036756
-    0SOL     H3    3   0.013969  -0.000996   0.094690
-    1SOL     O4    4  -0.138754  -0.235716  -0.074543
-    1SOL     H5    5  -0.218917  -0.184351  -0.064652
-    1SOL     H6    6  -0.070574  -0.181735  -0.034545
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/338/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014713  -0.031091  -0.089326
-    0SOL     H3    3   0.007901   0.095197  -0.006116
-    1SOL     O4    4   0.055349   0.266679   0.055515
-    1SOL     H5    5   0.150035   0.280381   0.052474
-    1SOL     H6    6   0.033453   0.270996   0.148597
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/339/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055621   0.067571   0.038766
-    0SOL     H3    3  -0.086962   0.039812  -0.003879
-    1SOL     O4    4   0.132519   0.218596   0.109379
-    1SOL     H5    5   0.203036   0.261961   0.061325
-    1SOL     H6    6   0.165102   0.212114   0.199148
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/340/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069642  -0.021593   0.062016
-    0SOL     H3    3   0.032598   0.076810  -0.046904
-    1SOL     O4    4  -0.205479  -0.177022   0.012600
-    1SOL     H5    5  -0.283607  -0.140095   0.053767
-    1SOL     H6    6  -0.140581  -0.106799   0.016975
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/341/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060897   0.057702  -0.046091
-    0SOL     H3    3   0.070037   0.057991   0.029905
-    1SOL     O4    4  -0.180577   0.169385  -0.169868
-    1SOL     H5    5  -0.127289   0.248626  -0.176469
-    1SOL     H6    6  -0.210811   0.153281  -0.259248
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/342/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045793   0.067380  -0.050253
-    0SOL     H3    3   0.092846   0.017973  -0.014796
-    1SOL     O4    4   0.141218  -0.008598  -0.371954
-    1SOL     H5    5   0.175952  -0.089915  -0.335303
-    1SOL     H6    6   0.149626   0.055187  -0.301080
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/343/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011207   0.086971   0.038378
-    0SOL     H3    3   0.002213   0.015007  -0.094510
-    1SOL     O4    4  -0.004370   0.271670   0.060938
-    1SOL     H5    5  -0.083646   0.313112   0.026877
-    1SOL     H6    6  -0.009963   0.283476   0.155762
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/344/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005037   0.004905  -0.095461
-    0SOL     H3    3  -0.085320  -0.034116   0.026813
-    1SOL     O4    4  -0.272378  -0.056681   0.040401
-    1SOL     H5    5  -0.295544  -0.084958   0.128866
-    1SOL     H6    6  -0.290038  -0.133014  -0.014588
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/345/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015212   0.050701   0.079752
-    0SOL     H3    3  -0.076607   0.040941  -0.040219
-    1SOL     O4    4   0.261116  -0.175768   0.167381
-    1SOL     H5    5   0.200551  -0.199033   0.237758
-    1SOL     H6    6   0.324566  -0.247416   0.165660
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/346/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084553   0.044867  -0.000376
-    0SOL     H3    3  -0.001790  -0.048518  -0.082493
-    1SOL     O4    4   0.291450  -0.148321  -0.165653
-    1SOL     H5    5   0.250577  -0.230581  -0.192580
-    1SOL     H6    6   0.228560  -0.080808  -0.191129
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/347/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087780  -0.031426  -0.021665
-    0SOL     H3    3  -0.004553   0.087284  -0.039026
-    1SOL     O4    4  -0.007864   0.252432  -0.141850
-    1SOL     H5    5  -0.082170   0.309149  -0.121256
-    1SOL     H6    6  -0.037358   0.200431  -0.216605
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/348/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077486  -0.036806  -0.042469
-    0SOL     H3    3  -0.055353  -0.075798   0.018787
-    1SOL     O4    4  -0.208427  -0.184387   0.040846
-    1SOL     H5    5  -0.259824  -0.185538   0.121589
-    1SOL     H6    6  -0.250869  -0.249052  -0.015541
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.065183   0.046489  -0.052463
-    0SOL     H3    3   0.040181  -0.008141   0.086496
-    1SOL     O4    4   0.197106  -0.211822  -0.188991
-    1SOL     H5    5   0.274004  -0.213148  -0.245976
-    1SOL     H6    6   0.228875  -0.174717  -0.106673
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015410  -0.027932  -0.090248
-    0SOL     H3    3   0.057527  -0.055648   0.052500
-    1SOL     O4    4   0.154507  -0.187039   0.114181
-    1SOL     H5    5   0.097142  -0.263342   0.107154
-    1SOL     H6    6   0.242613  -0.223807   0.121081
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.013545  -0.094527   0.006598
-    0SOL     H3    3  -0.085192   0.014956   0.041001
-    1SOL     O4    4   0.074514   0.048672  -0.271500
-    1SOL     H5    5   0.168870   0.064365  -0.275099
-    1SOL     H6    6   0.050159   0.069419  -0.181285
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/352/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047235   0.067542  -0.048675
-    0SOL     H3    3  -0.041108  -0.082150  -0.026906
-    1SOL     O4    4  -0.356823  -0.074584   0.149038
-    1SOL     H5    5  -0.279169  -0.124164   0.175002
-    1SOL     H6    6  -0.322151   0.002792   0.104618
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/353/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091556  -0.025551  -0.011269
-    0SOL     H3    3  -0.049220  -0.081235  -0.011858
-    1SOL     O4    4   0.254332   0.203959   0.022452
-    1SOL     H5    5   0.179275   0.258301  -0.001544
-    1SOL     H6    6   0.268505   0.222273   0.115328
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.070016   0.045674   0.046626
-    0SOL     H3    3  -0.015949   0.053517  -0.077743
-    1SOL     O4    4   0.197886   0.150118   0.088043
-    1SOL     H5    5   0.229610   0.111796   0.169819
-    1SOL     H6    6   0.197564   0.244450   0.104284
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045996  -0.057911  -0.060770
-    0SOL     H3    3   0.051833  -0.003528   0.080394
-    1SOL     O4    4   0.258662  -0.133022   0.089368
-    1SOL     H5    5   0.268383  -0.047998   0.132249
-    1SOL     H6    6   0.306649  -0.124005   0.007038
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.015585   0.094379   0.003481
-    0SOL     H3    3  -0.083059  -0.036950  -0.029971
-    1SOL     O4    4  -0.011439  -0.055531  -0.331832
-    1SOL     H5    5  -0.106407  -0.047167  -0.340398
-    1SOL     H6    6   0.020756  -0.056939  -0.421965
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089484  -0.007703  -0.033099
-    0SOL     H3    3   0.047781  -0.070732  -0.043316
-    1SOL     O4    4   0.217893  -0.135312  -0.079322
-    1SOL     H5    5   0.198690  -0.226723  -0.058402
-    1SOL     H6    6   0.228913  -0.134255  -0.174399
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/358/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094086   0.016767   0.005387
-    0SOL     H3    3   0.023138  -0.034833   0.086102
-    1SOL     O4    4   0.068063  -0.124379   0.220759
-    1SOL     H5    5   0.033482  -0.191986   0.279031
-    1SOL     H6    6   0.116872  -0.065635   0.278458
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060984  -0.004614   0.073634
-    0SOL     H3    3  -0.085422  -0.019963   0.038300
-    1SOL     O4    4  -0.214533  -0.069452   0.150711
-    1SOL     H5    5  -0.204530  -0.093881   0.242719
-    1SOL     H6    6  -0.254490   0.017494   0.153173
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091331   0.003419  -0.028448
-    0SOL     H3    3   0.034473   0.087153  -0.019451
-    1SOL     O4    4  -0.242944  -0.135735  -0.067685
-    1SOL     H5    5  -0.333738  -0.127586  -0.038489
-    1SOL     H6    6  -0.216866  -0.223788  -0.040688
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.055021  -0.051429  -0.059076
-    0SOL     H3    3  -0.019408   0.091041  -0.022297
-    1SOL     O4    4  -0.196646  -0.002251   0.190638
-    1SOL     H5    5  -0.201680  -0.095036   0.213615
-    1SOL     H6    6  -0.126255   0.002672   0.125961
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000943   0.076929   0.056950
-    0SOL     H3    3   0.026056   0.033372  -0.085847
-    1SOL     O4    4   0.050470   0.279202   0.021964
-    1SOL     H5    5  -0.033793   0.321210   0.004716
-    1SOL     H6    6   0.067413   0.296524   0.114566
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.033028  -0.006677   0.089593
-    0SOL     H3    3   0.094155  -0.015306   0.007929
-    1SOL     O4    4  -0.104052   0.025417   0.264742
-    1SOL     H5    5  -0.080920   0.001651   0.354533
-    1SOL     H6    6  -0.186619   0.073124   0.273057
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083391  -0.042710   0.019598
-    0SOL     H3    3  -0.023723  -0.032404  -0.086888
-    1SOL     O4    4  -0.010714   0.275837   0.043016
-    1SOL     H5    5  -0.016057   0.274275   0.138574
-    1SOL     H6    6  -0.005200   0.183668   0.017779
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/365/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069637   0.057812   0.031158
-    0SOL     H3    3  -0.071848   0.059037  -0.022689
-    1SOL     O4    4   0.073374  -0.098693  -0.240088
-    1SOL     H5    5  -0.002250  -0.154792  -0.257298
-    1SOL     H6    6   0.058506  -0.064781  -0.151820
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090819   0.029759   0.005345
-    0SOL     H3    3   0.051116   0.072262   0.036438
-    1SOL     O4    4   0.166286   0.208434  -0.237937
-    1SOL     H5    5   0.251845   0.250128  -0.227767
-    1SOL     H6    6   0.174357   0.125350  -0.191095
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014168  -0.072355   0.061044
-    0SOL     H3    3  -0.064511  -0.033448  -0.062305
-    1SOL     O4    4  -0.292974  -0.219196   0.063173
-    1SOL     H5    5  -0.284503  -0.124290   0.072314
-    1SOL     H6    6  -0.253292  -0.238768  -0.021706
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021435   0.018140  -0.091508
-    0SOL     H3    3  -0.084870  -0.012035   0.042598
-    1SOL     O4    4  -0.133347   0.042158  -0.233499
-    1SOL     H5    5  -0.223695   0.073670  -0.230932
-    1SOL     H6    6  -0.113763   0.033005  -0.326746
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008291  -0.093538  -0.018552
-    0SOL     H3    3  -0.001406   0.005482   0.095552
-    1SOL     O4    4  -0.110990   0.194985  -0.167353
-    1SOL     H5    5  -0.043418   0.261977  -0.177769
-    1SOL     H6    6  -0.070843   0.128987  -0.110831
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051078   0.062143   0.051881
-    0SOL     H3    3  -0.089795   0.032797   0.004843
-    1SOL     O4    4  -0.010407  -0.245026   0.136547
-    1SOL     H5    5   0.013312  -0.158580   0.102977
-    1SOL     H6    6  -0.001450  -0.237174   0.231523
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/371/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004292  -0.056635   0.077048
-    0SOL     H3    3   0.088500  -0.012670  -0.034198
-    1SOL     O4    4  -0.035210   0.259195   0.106392
-    1SOL     H5    5  -0.126924   0.275366   0.084273
-    1SOL     H6    6  -0.012227   0.180314   0.057280
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082091   0.020007  -0.044978
-    0SOL     H3    3   0.030682  -0.080911  -0.040918
-    1SOL     O4    4   0.127448  -0.260854  -0.010814
-    1SOL     H5    5   0.171118  -0.343543  -0.031252
-    1SOL     H6    6   0.109476  -0.265770   0.083075
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.053537   0.037671  -0.069835
-    0SOL     H3    3  -0.006578  -0.094592  -0.013090
-    1SOL     O4    4   0.247476   0.103495  -0.060895
-    1SOL     H5    5   0.246944   0.197507  -0.042900
-    1SOL     H6    6   0.162858   0.072419  -0.028701
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/374/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.035401  -0.080657  -0.037464
-    0SOL     H3    3   0.093060  -0.018343   0.012873
-    1SOL     O4    4   0.270193  -0.016543  -0.029649
-    1SOL     H5    5   0.351650   0.033659  -0.027042
-    1SOL     H6    6   0.295412  -0.104654  -0.002031
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/375/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.046898   0.073605   0.039309
-    0SOL     H3    3   0.030376   0.033252  -0.084462
-    1SOL     O4    4   0.166850  -0.204218   0.060245
-    1SOL     H5    5   0.167589  -0.213181   0.155541
-    1SOL     H6    6   0.111418  -0.127948   0.043742
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/376/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020642   0.091729   0.017946
-    0SOL     H3    3   0.047006  -0.048842   0.067581
-    1SOL     O4    4   0.068559   0.276864  -0.039621
-    1SOL     H5    5   0.093073   0.324094  -0.119187
-    1SOL     H6    6   0.025263   0.342552   0.014903
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/377/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032940  -0.045097   0.077740
-    0SOL     H3    3   0.014452   0.092857   0.018194
-    1SOL     O4    4  -0.205820  -0.042968  -0.296636
-    1SOL     H5    5  -0.209553   0.016069  -0.371889
-    1SOL     H6    6  -0.186217  -0.128728  -0.334363
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/378/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044822   0.067696   0.050700
-    0SOL     H3    3  -0.093029   0.015191   0.016651
-    1SOL     O4    4  -0.261702  -0.065160   0.045448
-    1SOL     H5    5  -0.331492  -0.011048   0.008520
-    1SOL     H6    6  -0.252629  -0.034369   0.135625
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/379/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.057994  -0.054191   0.053501
-    0SOL     H3    3  -0.017910  -0.053272  -0.077483
-    1SOL     O4    4  -0.024972   0.266946   0.048320
-    1SOL     H5    5  -0.011530   0.183902   0.002655
-    1SOL     H6    6  -0.046117   0.241755   0.138212
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/380/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072123   0.031730   0.054349
-    0SOL     H3    3   0.040441  -0.019529  -0.084531
-    1SOL     O4    4   0.051482  -0.021697  -0.259073
-    1SOL     H5    5   0.076999   0.049814  -0.317359
-    1SOL     H6    6   0.073201  -0.101221  -0.307721
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/381/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011330  -0.091689   0.025043
-    0SOL     H3    3   0.004591   0.048178   0.082584
-    1SOL     O4    4  -0.269456  -0.022835  -0.013868
-    1SOL     H5    5  -0.173814  -0.022424  -0.017705
-    1SOL     H6    6  -0.295366  -0.096717  -0.068936
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/382/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093242  -0.006104  -0.020762
-    0SOL     H3    3  -0.019345   0.093669  -0.003777
-    1SOL     O4    4  -0.268700  -0.107290  -0.051784
-    1SOL     H5    5  -0.267280  -0.189374  -0.002565
-    1SOL     H6    6  -0.185734  -0.064810  -0.030004
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/383/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005063   0.047963  -0.082682
-    0SOL     H3    3  -0.000232   0.068077   0.067288
-    1SOL     O4    4  -0.205388  -0.165195   0.063685
-    1SOL     H5    5  -0.136515  -0.100616   0.047924
-    1SOL     H6    6  -0.192721  -0.192069   0.154677
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/384/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002012   0.077856  -0.055649
-    0SOL     H3    3  -0.090517  -0.011041   0.029105
-    1SOL     O4    4   0.351108   0.158115   0.016542
-    1SOL     H5    5   0.353713   0.151452  -0.078910
-    1SOL     H6    6   0.263754   0.127085   0.040391
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081915  -0.029401   0.039848
-    0SOL     H3    3  -0.042497  -0.080476  -0.029664
-    1SOL     O4    4  -0.124548  -0.163101   0.219806
-    1SOL     H5    5  -0.033393  -0.144720   0.242506
-    1SOL     H6    6  -0.147733  -0.095048   0.156611
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074567   0.059228  -0.009703
-    0SOL     H3    3   0.063260   0.049402   0.052153
-    1SOL     O4    4  -0.227769   0.128526  -0.099184
-    1SOL     H5    5  -0.222531   0.198864  -0.034473
-    1SOL     H6    6  -0.183560   0.163675  -0.176466
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/387/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.034281  -0.062624   0.063760
-    0SOL     H3    3   0.010586   0.085320   0.042080
-    1SOL     O4    4   0.022815  -0.023311  -0.276050
-    1SOL     H5    5   0.021011   0.004823  -0.184576
-    1SOL     H6    6   0.100367  -0.079049  -0.282490
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/388/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079039  -0.035169  -0.040966
-    0SOL     H3    3   0.014977  -0.056573   0.075747
-    1SOL     O4    4   0.227003   0.122999  -0.183189
-    1SOL     H5    5   0.256895   0.104502  -0.094157
-    1SOL     H6    6   0.135418   0.148849  -0.172870
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/389/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045793   0.074242   0.039414
-    0SOL     H3    3  -0.089705   0.007059   0.032643
-    1SOL     O4    4   0.123485   0.200951   0.135703
-    1SOL     H5    5   0.133980   0.190223   0.230239
-    1SOL     H6    6   0.183262   0.272131   0.112845
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.050336  -0.018043  -0.079392
-    0SOL     H3    3   0.060639  -0.018764   0.071646
-    1SOL     O4    4  -0.084806   0.216703   0.173614
-    1SOL     H5    5  -0.161813   0.273550   0.172793
-    1SOL     H6    6  -0.088422   0.170187   0.090035
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069323  -0.065616   0.007157
-    0SOL     H3    3  -0.037561   0.068685  -0.055081
-    1SOL     O4    4  -0.220568   0.232431   0.124718
-    1SOL     H5    5  -0.139663   0.283530   0.122337
-    1SOL     H6    6  -0.283627   0.289372   0.168805
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094574   0.008976  -0.011729
-    0SOL     H3    3  -0.032614   0.089976   0.001740
-    1SOL     O4    4  -0.190754   0.179759   0.323233
-    1SOL     H5    5  -0.196147   0.270353   0.353661
-    1SOL     H6    6  -0.280691   0.147373   0.328220
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071581   0.019697  -0.060419
-    0SOL     H3    3  -0.070738  -0.031740  -0.056134
-    1SOL     O4    4   0.219520  -0.040254  -0.250116
-    1SOL     H5    5   0.298559   0.003499  -0.218479
-    1SOL     H6    6   0.249290  -0.092871  -0.324330
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/394/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.040609   0.044023   0.074667
-    0SOL     H3    3  -0.054127  -0.068580   0.039107
-    1SOL     O4    4  -0.110084  -0.119703   0.230713
-    1SOL     H5    5  -0.193243  -0.115441   0.277922
-    1SOL     H6    6  -0.086986  -0.212593   0.231126
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.062473  -0.053144   0.049347
-    0SOL     H3    3   0.043078   0.084936  -0.009617
-    1SOL     O4    4   0.238327  -0.167665  -0.225652
-    1SOL     H5    5   0.304656  -0.226998  -0.260901
-    1SOL     H6    6   0.191648  -0.219890  -0.160414
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078572  -0.005339  -0.054408
-    0SOL     H3    3   0.029348  -0.026420   0.087195
-    1SOL     O4    4  -0.016846  -0.073002   0.263684
-    1SOL     H5    5   0.003959  -0.164145   0.284233
-    1SOL     H6    6  -0.006868  -0.026759   0.346897
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016039   0.008110   0.094018
-    0SOL     H3    3   0.088311   0.034793  -0.012369
-    1SOL     O4    4  -0.089066  -0.245006  -0.081759
-    1SOL     H5    5  -0.176839  -0.232274  -0.117761
-    1SOL     H6    6  -0.049818  -0.157709  -0.082769
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.023371   0.075142  -0.054495
-    0SOL     H3    3  -0.019708   0.028102   0.089354
-    1SOL     O4    4   0.182366  -0.300393  -0.118286
-    1SOL     H5    5   0.241712  -0.373321  -0.136222
-    1SOL     H6    6   0.117577  -0.336498  -0.057778
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082689   0.033191   0.034975
-    0SOL     H3    3  -0.022897  -0.035931  -0.085715
-    1SOL     O4    4  -0.220670   0.088529   0.152554
-    1SOL     H5    5  -0.288237   0.038188   0.197973
-    1SOL     H6    6  -0.267674   0.162464   0.113999
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/400/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084133  -0.027144  -0.036704
-    0SOL     H3    3   0.004331   0.095605   0.001811
-    1SOL     O4    4  -0.156309   0.116736   0.324468
-    1SOL     H5    5  -0.072962   0.137072   0.282018
-    1SOL     H6    6  -0.132075   0.065583   0.401659
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005864  -0.036032  -0.088485
-    0SOL     H3    3   0.043848  -0.064729   0.055225
-    1SOL     O4    4   0.188174   0.208644  -0.007794
-    1SOL     H5    5   0.249331   0.154570   0.042187
-    1SOL     H6    6   0.109911   0.154276  -0.016811
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/402/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.047755   0.015746  -0.081448
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-    1SOL     H5    5  -0.201832  -0.166949   0.158473
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-    6
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-    0SOL     H3    3   0.009649   0.019179  -0.093281
-    1SOL     O4    4  -0.147964  -0.251036  -0.192121
-    1SOL     H5    5  -0.137430  -0.298508  -0.274569
-    1SOL     H6    6  -0.108674  -0.308316  -0.126259
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-    6
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-    0SOL     H2    2  -0.070712   0.020823  -0.061062
-    0SOL     H3    3   0.029672  -0.087081  -0.026436
-    1SOL     O4    4   0.114958  -0.238765  -0.052401
-    1SOL     H5    5   0.150920  -0.221162   0.034543
-    1SOL     H6    6   0.188371  -0.224346  -0.112107
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.086012   0.034660   0.023726
-    0SOL     H3    3  -0.000481  -0.001961  -0.095699
-    1SOL     O4    4   0.258178   0.082493   0.041863
-    1SOL     H5    5   0.263304   0.154248  -0.021282
-    1SOL     H6    6   0.166343   0.055554   0.040175
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-    6
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-    0SOL     H2    2   0.019812   0.082285   0.044710
-    0SOL     H3    3   0.084668  -0.030671  -0.032449
-    1SOL     O4    4   0.275346  -0.027726  -0.110652
-    1SOL     H5    5   0.325145  -0.109403  -0.107299
-    1SOL     H6    6   0.251172  -0.018121  -0.202770
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-    6
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-    0SOL     H2    2   0.081469  -0.042424  -0.026931
-    0SOL     H3    3  -0.055999  -0.004182  -0.077517
-    1SOL     O4    4  -0.253295  -0.049638  -0.137934
-    1SOL     H5    5  -0.311758   0.018998  -0.105788
-    1SOL     H6    6  -0.285145  -0.068938  -0.226112
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024302   0.082485   0.042047
-    0SOL     H3    3  -0.095552  -0.002329   0.005162
-    1SOL     O4    4   0.111843  -0.193139   0.141007
-    1SOL     H5    5   0.096550  -0.111336   0.093714
-    1SOL     H6    6   0.168841  -0.168458   0.213838
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.035523   0.087647   0.014779
-    0SOL     H3    3   0.075383  -0.052095  -0.027674
-    1SOL     O4    4   0.214717  -0.149298  -0.079234
-    1SOL     H5    5   0.260466  -0.071269  -0.110551
-    1SOL     H6    6   0.220436  -0.211277  -0.151954
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094106  -0.008258  -0.015432
-    0SOL     H3    3  -0.039666  -0.064566  -0.058482
-    1SOL     O4    4  -0.156359  -0.213973  -0.127181
-    1SOL     H5    5  -0.195578  -0.210930  -0.214445
-    1SOL     H6    6  -0.221851  -0.257935  -0.072955
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018536   0.065298   0.067490
-    0SOL     H3    3  -0.086009  -0.034912   0.023364
-    1SOL     O4    4   0.099656   0.047811  -0.241144
-    1SOL     H5    5   0.047058   0.120199  -0.275142
-    1SOL     H6    6   0.065841   0.032983  -0.152832
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.059462  -0.045190  -0.059871
-    0SOL     H3    3  -0.007685  -0.058814   0.075128
-    1SOL     O4    4  -0.146191  -0.338992  -0.047428
-    1SOL     H5    5  -0.153651  -0.355955   0.046481
-    1SOL     H6    6  -0.057640  -0.304409  -0.058609
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049353  -0.039035  -0.072131
-    0SOL     H3    3  -0.025108   0.086579  -0.032187
-    1SOL     O4    4  -0.261203   0.209051   0.086492
-    1SOL     H5    5  -0.198162   0.250539   0.145372
-    1SOL     H6    6  -0.342258   0.258253   0.099593
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.030912   0.026160  -0.086732
-    0SOL     H3    3  -0.035426   0.066405   0.059141
-    1SOL     O4    4   0.246393  -0.052770   0.086200
-    1SOL     H5    5   0.223149  -0.020381   0.173223
-    1SOL     H6    6   0.171815  -0.029086   0.031067
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016563   0.075949   0.055855
-    0SOL     H3    3   0.055879  -0.068889   0.035975
-    1SOL     O4    4   0.031197   0.110251  -0.253387
-    1SOL     H5    5  -0.008873   0.197059  -0.248788
-    1SOL     H6    6   0.027928   0.077519  -0.163497
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082901  -0.033118   0.034538
-    0SOL     H3    3   0.067106  -0.046814   0.049675
-    1SOL     O4    4   0.057757  -0.075353  -0.254494
-    1SOL     H5    5   0.137549  -0.120952  -0.281259
-    1SOL     H6    6   0.061482  -0.074598  -0.158850
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079092  -0.010896  -0.052802
-    0SOL     H3    3  -0.060973   0.046372  -0.057396
-    1SOL     O4    4  -0.081952  -0.063243   0.235037
-    1SOL     H5    5  -0.160720  -0.013491   0.257006
-    1SOL     H6    6  -0.063826  -0.040454   0.143853
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071241  -0.009253   0.063257
-    0SOL     H3    3   0.071053  -0.053126   0.035936
-    1SOL     O4    4  -0.350733  -0.063031  -0.081945
-    1SOL     H5    5  -0.309329  -0.005002  -0.145824
-    1SOL     H6    6  -0.322452  -0.150854  -0.107434
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.062768  -0.026282   0.067318
-    0SOL     H3    3   0.081710  -0.042970   0.025287
-    1SOL     O4    4   0.166709   0.204530   0.174981
-    1SOL     H5    5   0.203954   0.116639   0.182067
-    1SOL     H6    6   0.075520   0.189991   0.149771
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.095217  -0.002500   0.009477
-    0SOL     H3    3  -0.027224  -0.091501   0.006986
-    1SOL     O4    4   0.284863  -0.019752   0.005747
-    1SOL     H5    5   0.296487   0.055876   0.063259
-    1SOL     H6    6   0.327321   0.005659  -0.076192
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002326  -0.036947   0.088271
-    0SOL     H3    3   0.086029  -0.024556  -0.034035
-    1SOL     O4    4   0.278642  -0.031040  -0.074911
-    1SOL     H5    5   0.313330  -0.055314  -0.160759
-    1SOL     H6    6   0.327671  -0.085171  -0.013037
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031364  -0.000278   0.090435
-    0SOL     H3    3   0.066967   0.048245  -0.048478
-    1SOL     O4    4   0.116479   0.215138  -0.125067
-    1SOL     H5    5   0.176556   0.260710  -0.184028
-    1SOL     H6    6   0.045880   0.277884  -0.109544
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004511  -0.036249   0.088476
-    0SOL     H3    3   0.063490   0.071338   0.006501
-    1SOL     O4    4   0.188252   0.193269  -0.039480
-    1SOL     H5    5   0.167528   0.216013  -0.130120
-    1SOL     H6    6   0.229584   0.271912  -0.003853
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.059308   0.074808  -0.006971
-    0SOL     H3    3  -0.026477  -0.044180   0.080681
-    1SOL     O4    4   0.273019   0.116851   0.101452
-    1SOL     H5    5   0.362066   0.099801   0.132148
-    1SOL     H6    6   0.235857   0.029974   0.086167
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075207   0.005253  -0.058980
-    0SOL     H3    3  -0.051087   0.078640  -0.019191
-    1SOL     O4    4   0.165862   0.275326   0.057297
-    1SOL     H5    5   0.093642   0.326991   0.093036
-    1SOL     H6    6   0.184207   0.209883   0.124699
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048506  -0.079313   0.022780
-    0SOL     H3    3  -0.066174  -0.029477  -0.062566
-    1SOL     O4    4  -0.276228  -0.105353   0.163929
-    1SOL     H5    5  -0.290264  -0.026977   0.110801
-    1SOL     H6    6  -0.353272  -0.159687   0.147365
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.031052  -0.047697   0.076961
-    0SOL     H3    3  -0.031605  -0.051286  -0.074385
-    1SOL     O4    4  -0.068297  -0.108468  -0.250374
-    1SOL     H5    5  -0.147145  -0.071114  -0.289744
-    1SOL     H6    6   0.003961  -0.068218  -0.298550
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004902   0.056072   0.077423
-    0SOL     H3    3  -0.065271  -0.066306   0.022483
-    1SOL     O4    4  -0.101285  -0.192025  -0.223677
-    1SOL     H5    5  -0.063551  -0.234515  -0.300703
-    1SOL     H6    6  -0.181991  -0.240578  -0.206607
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.029963  -0.083857   0.035109
-    0SOL     H3    3  -0.023958   0.064012   0.067014
-    1SOL     O4    4   0.069874   0.085799  -0.262072
-    1SOL     H5    5   0.039859   0.078906  -0.171441
-    1SOL     H6    6   0.057295   0.177982  -0.284573
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.039621  -0.072992   0.047588
-    0SOL     H3    3  -0.038393  -0.004770  -0.087553
-    1SOL     O4    4  -0.140447  -0.214491   0.112719
-    1SOL     H5    5  -0.233447  -0.218442   0.090411
-    1SOL     H6    6  -0.132494  -0.267612   0.191947
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000683  -0.017968  -0.094016
-    0SOL     H3    3   0.091570   0.017415   0.021770
-    1SOL     O4    4  -0.178122  -0.245065  -0.155417
-    1SOL     H5    5  -0.262816  -0.276675  -0.123953
-    1SOL     H6    6  -0.138619  -0.320957  -0.198338
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.046524   0.055745   0.062372
-    0SOL     H3    3   0.000367  -0.086759   0.040437
-    1SOL     O4    4   0.103423   0.046823  -0.257886
-    1SOL     H5    5   0.078347   0.030174  -0.167021
-    1SOL     H6    6   0.062898  -0.024373  -0.307395
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091075   0.007722   0.028426
-    0SOL     H3    3   0.004544   0.051842  -0.080337
-    1SOL     O4    4   0.119315   0.146558  -0.204157
-    1SOL     H5    5   0.073743   0.229054  -0.187427
-    1SOL     H6    6   0.071473   0.107067  -0.277054
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076839  -0.007910  -0.056529
-    0SOL     H3    3  -0.059363  -0.068637  -0.030451
-    1SOL     O4    4  -0.114308   0.248543  -0.104296
-    1SOL     H5    5  -0.206271   0.251346  -0.077890
-    1SOL     H6    6  -0.078595   0.172264  -0.058815
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031755  -0.001162   0.090292
-    0SOL     H3    3   0.008168   0.091428  -0.027137
-    1SOL     O4    4   0.144466  -0.162019  -0.161146
-    1SOL     H5    5   0.080345  -0.233028  -0.158225
-    1SOL     H6    6   0.106361  -0.093026  -0.106828
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071426  -0.063003  -0.009550
-    0SOL     H3    3  -0.026653   0.074782  -0.053475
-    1SOL     O4    4  -0.183883  -0.214012  -0.027894
-    1SOL     H5    5  -0.240756  -0.216128   0.049068
-    1SOL     H6    6  -0.243427  -0.224908  -0.102043
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087415  -0.033844   0.019377
-    0SOL     H3    3   0.000135   0.088751   0.035855
-    1SOL     O4    4   0.263586  -0.111209   0.077299
-    1SOL     H5    5   0.234226  -0.171690   0.145434
-    1SOL     H6    6   0.289180  -0.167748   0.004425
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093692   0.012149  -0.015381
-    0SOL     H3    3  -0.040273   0.080604  -0.032302
-    1SOL     O4    4   0.099581  -0.037381  -0.306617
-    1SOL     H5    5   0.175875   0.015344  -0.282918
-    1SOL     H6    6   0.109949  -0.118391  -0.256695
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-    6
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-    1SOL     O4    4  -0.161222   0.014052   0.317121
-    1SOL     H5    5  -0.175190   0.084111   0.253411
-    1SOL     H6    6  -0.092999   0.047702   0.375222
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-    6
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-    0SOL     H2    2  -0.078523  -0.027812   0.047147
-    0SOL     H3    3   0.049705  -0.080676  -0.013530
-    1SOL     O4    4   0.133031   0.210871   0.085228
-    1SOL     H5    5   0.104568   0.239298   0.172085
-    1SOL     H6    6   0.080885   0.132629   0.067300
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-    6
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-    0SOL     H2    2   0.033104   0.082784  -0.034832
-    0SOL     H3    3   0.051541  -0.067156  -0.044675
-    1SOL     O4    4  -0.129266   0.183093  -0.207415
-    1SOL     H5    5  -0.165757   0.222817  -0.128341
-    1SOL     H6    6  -0.155299   0.091124  -0.202278
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056592   0.035536  -0.068533
-    0SOL     H3    3  -0.078623  -0.028838  -0.046358
-    1SOL     O4    4  -0.253646  -0.044190  -0.077512
-    1SOL     H5    5  -0.279351  -0.130229  -0.110663
-    1SOL     H6    6  -0.321432  -0.021809  -0.013744
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024616   0.047415   0.079424
-    0SOL     H3    3  -0.068426   0.053794  -0.039830
-    1SOL     O4    4  -0.224839  -0.067826   0.323423
-    1SOL     H5    5  -0.160334  -0.138098   0.315476
-    1SOL     H6    6  -0.293288  -0.104311   0.379512
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.033479  -0.084474   0.030095
-    0SOL     H3    3  -0.022000  -0.014320  -0.092050
-    1SOL     O4    4   0.221315   0.161280   0.017066
-    1SOL     H5    5   0.136755   0.129160  -0.014242
-    1SOL     H6    6   0.235196   0.242968  -0.030859
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-    6
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-    0SOL     H2    2  -0.090311   0.011814  -0.029439
-    0SOL     H3    3   0.028373  -0.081372  -0.041665
-    1SOL     O4    4   0.262883   0.225914   0.116870
-    1SOL     H5    5   0.245991   0.307156   0.069155
-    1SOL     H6    6   0.176426   0.196509   0.145555
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001341  -0.042479   0.085767
-    0SOL     H3    3  -0.035914  -0.065541  -0.059806
-    1SOL     O4    4  -0.148283  -0.207544  -0.139095
-    1SOL     H5    5  -0.236431  -0.170562  -0.134141
-    1SOL     H6    6  -0.145407  -0.251416  -0.224121
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/447/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.043739   0.056339   0.063836
-    0SOL     H3    3   0.087223   0.038163  -0.009903
-    1SOL     O4    4  -0.221819   0.037064   0.242943
-    1SOL     H5    5  -0.251775   0.053260   0.332400
-    1SOL     H6    6  -0.271285  -0.039835   0.214623
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.002563   0.095474  -0.006365
-    0SOL     H3    3  -0.080503  -0.029078  -0.042850
-    1SOL     O4    4  -0.145358   0.015702   0.237215
-    1SOL     H5    5  -0.128195  -0.015311   0.148299
-    1SOL     H6    6  -0.235672  -0.010676   0.254817
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036578   0.009778  -0.087913
-    0SOL     H3    3   0.007067   0.087230   0.038772
-    1SOL     O4    4   0.037651   0.055741   0.325348
-    1SOL     H5    5  -0.029707   0.000792   0.285275
-    1SOL     H6    6   0.118410   0.031651   0.279961
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.067688  -0.033491   0.058813
-    0SOL     H3    3  -0.034296  -0.016371  -0.087853
-    1SOL     O4    4   0.268678  -0.165346   0.063250
-    1SOL     H5    5   0.227660  -0.160692   0.149611
-    1SOL     H6    6   0.346817  -0.218985   0.076655
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089799  -0.032139   0.008103
-    0SOL     H3    3   0.021784  -0.012674  -0.092343
-    1SOL     O4    4   0.043576  -0.274692   0.023010
-    1SOL     H5    5   0.018896  -0.311677   0.107777
-    1SOL     H6    6   0.048668  -0.180378   0.038543
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.033388  -0.088196  -0.016400
-    0SOL     H3    3   0.077649   0.051260   0.022481
-    1SOL     O4    4   0.118442  -0.250327  -0.006182
-    1SOL     H5    5   0.094400  -0.342962  -0.007972
-    1SOL     H6    6   0.169854  -0.240421   0.073949
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090587   0.010767  -0.028990
-    0SOL     H3    3  -0.001265   0.024861   0.092426
-    1SOL     O4    4   0.019407   0.099990   0.311166
-    1SOL     H5    5   0.083625   0.166981   0.287700
-    1SOL     H6    6   0.067078   0.017335   0.303555
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.027779   0.004523   0.091489
-    0SOL     H3    3  -0.047537   0.071055  -0.043055
-    1SOL     O4    4  -0.061034  -0.141704   0.243821
-    1SOL     H5    5  -0.117559  -0.145601   0.320970
-    1SOL     H6    6  -0.050786  -0.232999   0.216942
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028779   0.012308   0.090458
-    0SOL     H3    3  -0.080865   0.000670  -0.051213
-    1SOL     O4    4  -0.019564  -0.216893  -0.243186
-    1SOL     H5    5  -0.021668  -0.296767  -0.295893
-    1SOL     H6    6   0.070665  -0.185759  -0.250386
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068970   0.037963  -0.054445
-    0SOL     H3    3   0.029833   0.014143   0.089846
-    1SOL     O4    4   0.119040   0.046788  -0.243653
-    1SOL     H5    5   0.210039   0.017112  -0.242660
-    1SOL     H6    6   0.079739   0.001191  -0.318075
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.028206  -0.091072   0.008526
-    0SOL     H3    3   0.081460   0.049847  -0.006473
-    1SOL     O4    4   0.186370   0.195985   0.016152
-    1SOL     H5    5   0.250960   0.258591  -0.016572
-    1SOL     H6    6   0.165244   0.227097   0.104175
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091122   0.023247   0.017853
-    0SOL     H3    3  -0.000218  -0.095571  -0.005341
-    1SOL     O4    4  -0.041718   0.126242  -0.246782
-    1SOL     H5    5  -0.091229   0.202995  -0.218148
-    1SOL     H6    6   0.009394   0.100642  -0.170006
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011186  -0.042055  -0.085256
-    0SOL     H3    3   0.030245   0.088438  -0.020648
-    1SOL     O4    4  -0.243129   0.000442   0.113640
-    1SOL     H5    5  -0.156017   0.001199   0.073974
-    1SOL     H6    6  -0.240371  -0.071929   0.176227
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083753  -0.021453   0.041080
-    0SOL     H3    3   0.019269   0.075280  -0.055892
-    1SOL     O4    4  -0.216708  -0.156621   0.165246
-    1SOL     H5    5  -0.266042  -0.194560   0.237972
-    1SOL     H6    6  -0.176498  -0.077913   0.201995
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045419   0.036389   0.075995
-    0SOL     H3    3  -0.064517   0.066660  -0.023588
-    1SOL     O4    4  -0.137224   0.243433  -0.059550
-    1SOL     H5    5  -0.226355   0.211273  -0.045988
-    1SOL     H6    6  -0.129264   0.252767  -0.154480
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060724   0.068892  -0.026995
-    0SOL     H3    3  -0.016048  -0.010754   0.093750
-    1SOL     O4    4   0.152285   0.152245   0.279862
-    1SOL     H5    5   0.147451   0.061055   0.251169
-    1SOL     H6    6   0.175161   0.147024   0.372661
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016260  -0.088489  -0.032676
-    0SOL     H3    3  -0.024211   0.057279  -0.072768
-    1SOL     O4    4  -0.377518   0.056357  -0.016115
-    1SOL     H5    5  -0.339175   0.069245   0.070638
-    1SOL     H6    6  -0.362334  -0.036128  -0.035565
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018241  -0.040476   0.084801
-    0SOL     H3    3  -0.020497  -0.073517  -0.057770
-    1SOL     O4    4  -0.038772  -0.233864  -0.166020
-    1SOL     H5    5   0.013616  -0.261541  -0.241198
-    1SOL     H6    6  -0.127186  -0.264832  -0.185673
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.027013  -0.000268   0.091829
-    0SOL     H3    3   0.082008   0.004877  -0.049125
-    1SOL     O4    4  -0.033804   0.272478  -0.069103
-    1SOL     H5    5   0.025424   0.312851  -0.005666
-    1SOL     H6    6  -0.075555   0.201093  -0.020903
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024700  -0.073828  -0.055692
-    0SOL     H3    3   0.095571  -0.003739   0.003817
-    1SOL     O4    4   0.000546  -0.111934   0.236502
-    1SOL     H5    5   0.082677  -0.160182   0.227072
-    1SOL     H6    6  -0.006457  -0.060522   0.156065
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052645  -0.064069  -0.047812
-    0SOL     H3    3  -0.080356  -0.046921   0.022442
-    1SOL     O4    4   0.163378  -0.249344   0.182643
-    1SOL     H5    5   0.255705  -0.256093   0.206984
-    1SOL     H6    6   0.164110  -0.243538   0.087102
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053979  -0.019703   0.076553
-    0SOL     H3    3  -0.089519  -0.018616   0.028322
-    1SOL     O4    4   0.264047   0.009804  -0.228793
-    1SOL     H5    5   0.298442  -0.077159  -0.208379
-    1SOL     H6    6   0.287117   0.063191  -0.152767
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087191   0.033346   0.021170
-    0SOL     H3    3   0.058430   0.074296   0.015112
-    1SOL     O4    4  -0.217198   0.148296   0.017944
-    1SOL     H5    5  -0.225325   0.201385  -0.061289
-    1SOL     H6    6  -0.275113   0.073599   0.002828
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064559  -0.024886  -0.066145
-    0SOL     H3    3  -0.024992  -0.049773   0.077848
-    1SOL     O4    4   0.051401  -0.216513  -0.234257
-    1SOL     H5    5  -0.028871  -0.164724  -0.240307
-    1SOL     H6    6   0.060754  -0.235466  -0.140900
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001157   0.070024  -0.065251
-    0SOL     H3    3   0.079389   0.016042   0.051013
-    1SOL     O4    4   0.130426   0.323529  -0.035569
-    1SOL     H5    5   0.194938   0.381473  -0.076103
-    1SOL     H6    6   0.148975   0.237269  -0.072685
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049593  -0.020880   0.079163
-    0SOL     H3    3   0.066339   0.027280  -0.063382
-    1SOL     O4    4   0.142697   0.246453  -0.288354
-    1SOL     H5    5   0.128265   0.268806  -0.380302
-    1SOL     H6    6   0.216741   0.300965  -0.261741
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011274   0.080973   0.049785
-    0SOL     H3    3  -0.086513  -0.040953   0.000874
-    1SOL     O4    4  -0.081823   0.264270   0.107266
-    1SOL     H5    5  -0.037668   0.334034   0.155698
-    1SOL     H6    6  -0.148469   0.231573   0.167694
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066920  -0.048656   0.048132
-    0SOL     H3    3   0.041173   0.055829   0.065956
-    1SOL     O4    4  -0.163902   0.155539  -0.202692
-    1SOL     H5    5  -0.104728   0.118260  -0.137340
-    1SOL     H6    6  -0.106611   0.181806  -0.274735
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.034931   0.051339   0.072845
-    0SOL     H3    3   0.074890  -0.013219  -0.058130
-    1SOL     O4    4  -0.192260  -0.244815   0.013691
-    1SOL     H5    5  -0.165558  -0.321580   0.064252
-    1SOL     H6    6  -0.110817  -0.197173  -0.002420
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-    6
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-    0SOL     H2    2  -0.012629   0.083900   0.044314
-    0SOL     H3    3  -0.088623  -0.030232  -0.019855
-    1SOL     O4    4  -0.209556  -0.148201  -0.108917
-    1SOL     H5    5  -0.294690  -0.111579  -0.084971
-    1SOL     H6    6  -0.192262  -0.113500  -0.196433
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.054522   0.062777  -0.047420
-    0SOL     H3    3  -0.006918  -0.075105  -0.058939
-    1SOL     O4    4  -0.032476  -0.000811   0.277053
-    1SOL     H5    5  -0.029641   0.021126   0.183924
-    1SOL     H6    6  -0.012322   0.081424   0.321703
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.055342   0.021065  -0.075205
-    0SOL     H3    3   0.026973   0.085101   0.034533
-    1SOL     O4    4   0.088521   0.226613   0.120689
-    1SOL     H5    5   0.171033   0.187005   0.148711
-    1SOL     H6    6   0.114699   0.305160   0.072653
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/479/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.058511   0.068610  -0.032118
-    0SOL     H3    3   0.087631   0.029874  -0.024302
-    1SOL     O4    4  -0.015510  -0.077394   0.252615
-    1SOL     H5    5  -0.032220  -0.056243   0.160769
-    1SOL     H6    6   0.079894  -0.081197   0.259393
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/480/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008572   0.024394  -0.092162
-    0SOL     H3    3   0.055766  -0.077193   0.009680
-    1SOL     O4    4   0.228162   0.193007  -0.150794
-    1SOL     H5    5   0.174786   0.230436  -0.220883
-    1SOL     H6    6   0.175569   0.204766  -0.071687
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082195  -0.049053   0.000237
-    0SOL     H3    3   0.058661  -0.051196   0.055680
-    1SOL     O4    4   0.281174   0.138347  -0.132662
-    1SOL     H5    5   0.281025   0.217549  -0.186414
-    1SOL     H6    6   0.275815   0.066536  -0.195724
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/482/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076996   0.055857   0.010675
-    0SOL     H3    3   0.002820  -0.052522   0.079974
-    1SOL     O4    4  -0.043881  -0.167411  -0.201774
-    1SOL     H5    5  -0.013706  -0.107423  -0.133560
-    1SOL     H6    6   0.033322  -0.182533  -0.256303
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/483/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.021689  -0.063378   0.068375
-    0SOL     H3    3  -0.072639  -0.040101  -0.047726
-    1SOL     O4    4   0.007000   0.170507   0.265352
-    1SOL     H5    5  -0.071049   0.115562   0.258157
-    1SOL     H6    6   0.027606   0.194864   0.175106
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/484/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019549  -0.006323  -0.093489
-    0SOL     H3    3   0.069486  -0.050275   0.042502
-    1SOL     O4    4  -0.273756  -0.010979  -0.000751
-    1SOL     H5    5  -0.178531  -0.004199   0.006223
-    1SOL     H6    6  -0.306843   0.063912   0.048835
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/485/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009979   0.071552   0.062793
-    0SOL     H3    3   0.040910   0.032555  -0.080180
-    1SOL     O4    4  -0.277724   0.038559  -0.237567
-    1SOL     H5    5  -0.263927   0.091706  -0.159161
-    1SOL     H6    6  -0.191775   0.000904  -0.256464
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/486/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044206   0.074803  -0.040158
-    0SOL     H3    3  -0.003033  -0.066066  -0.069198
-    1SOL     O4    4   0.127218   0.287971  -0.006689
-    1SOL     H5    5   0.135376   0.228126   0.067570
-    1SOL     H6    6   0.050772   0.341703   0.014076
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/487/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005203   0.079399   0.053207
-    0SOL     H3    3   0.090286  -0.031365  -0.005198
-    1SOL     O4    4  -0.007167   0.205648   0.169675
-    1SOL     H5    5  -0.001690   0.162552   0.254969
-    1SOL     H6    6  -0.098131   0.234751   0.163288
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/488/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.090643  -0.026872   0.014966
-    0SOL     H3    3   0.004364   0.095197  -0.008990
-    1SOL     O4    4  -0.375179   0.002651   0.032027
-    1SOL     H5    5  -0.450520   0.050835   0.066150
-    1SOL     H6    6  -0.413331  -0.072246  -0.013768
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/489/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056134   0.048777   0.060267
-    0SOL     H3    3  -0.087994   0.033922   0.016390
-    1SOL     O4    4  -0.272888   0.000526   0.064467
-    1SOL     H5    5  -0.328728  -0.046287   0.002396
-    1SOL     H6    6  -0.219306  -0.067778   0.104787
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/490/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.049778   0.059310  -0.056274
-    0SOL     H3    3   0.006188  -0.081227  -0.050261
-    1SOL     O4    4  -0.171250  -0.118490   0.188853
-    1SOL     H5    5  -0.247885  -0.148156   0.139766
-    1SOL     H6    6  -0.096973  -0.138935   0.132044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/491/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.059478  -0.063457   0.039973
-    0SOL     H3    3  -0.005162   0.076843   0.056840
-    1SOL     O4    4  -0.032641   0.174419   0.216565
-    1SOL     H5    5  -0.006222   0.260653   0.248629
-    1SOL     H6    6  -0.118542   0.159419   0.256042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/492/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070859  -0.064264   0.003373
-    0SOL     H3    3   0.011269   0.028086   0.090810
-    1SOL     O4    4  -0.238420  -0.157693  -0.001301
-    1SOL     H5    5  -0.253343  -0.099178  -0.075569
-    1SOL     H6    6  -0.210842  -0.240309  -0.041004
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/493/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.038205  -0.072567  -0.049363
-    0SOL     H3    3  -0.075757  -0.038310   0.044222
-    1SOL     O4    4  -0.188132   0.076304  -0.242037
-    1SOL     H5    5  -0.096577   0.086253  -0.215943
-    1SOL     H6    6  -0.235695   0.066695  -0.159528
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/494/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004493  -0.080903  -0.050959
-    0SOL     H3    3  -0.004461  -0.028790   0.091179
-    1SOL     O4    4  -0.298422  -0.061707   0.272979
-    1SOL     H5    5  -0.325914   0.024746   0.303514
-    1SOL     H6    6  -0.356128  -0.080484   0.198954
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/495/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005022  -0.017892   0.093899
-    0SOL     H3    3   0.013245  -0.085890  -0.040122
-    1SOL     O4    4  -0.330098   0.069922   0.101173
-    1SOL     H5    5  -0.288975   0.138015   0.154413
-    1SOL     H6    6  -0.416819   0.104749   0.080466
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.036531   0.062458  -0.062664
-    0SOL     H3    3  -0.075141  -0.051834   0.028799
-    1SOL     O4    4   0.097298  -0.183638  -0.154617
-    1SOL     H5    5   0.087552  -0.119343  -0.084379
-    1SOL     H6    6   0.072887  -0.136228  -0.234108
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/497/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018730  -0.014482   0.092746
-    0SOL     H3    3   0.013726  -0.087747  -0.035698
-    1SOL     O4    4  -0.344070   0.107331   0.131811
-    1SOL     H5    5  -0.313774   0.058237   0.208193
-    1SOL     H6    6  -0.290070   0.186361   0.131113
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.050995   0.015309  -0.079546
-    0SOL     H3    3   0.026217   0.087408   0.028893
-    1SOL     O4    4  -0.153282  -0.066454   0.209710
-    1SOL     H5    5  -0.102307  -0.063503   0.128746
-    1SOL     H6    6  -0.099338  -0.020056   0.273738
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015129   0.094453   0.003471
-    0SOL     H3    3   0.067611  -0.032975  -0.059192
-    1SOL     O4    4  -0.181287   0.028263  -0.311027
-    1SOL     H5    5  -0.150725  -0.061582  -0.298533
-    1SOL     H6    6  -0.102185   0.081709  -0.304042
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/500/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045881  -0.038204  -0.074818
-    0SOL     H3    3  -0.003234   0.094399  -0.015516
-    1SOL     O4    4  -0.153504   0.050713   0.237087
-    1SOL     H5    5  -0.066237   0.022535   0.264527
-    1SOL     H6    6  -0.166474   0.009086   0.151874
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072323   0.061735  -0.010977
-    0SOL     H3    3  -0.058913   0.018816  -0.073058
-    1SOL     O4    4  -0.075736  -0.249171   0.008508
-    1SOL     H5    5  -0.026708  -0.305626   0.068269
-    1SOL     H6    6  -0.030776  -0.164782   0.012904
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.048312  -0.004634   0.082503
-    0SOL     H3    3   0.089883  -0.023049   0.023496
-    1SOL     O4    4   0.007747  -0.043414   0.275925
-    1SOL     H5    5   0.038557   0.014194   0.345885
-    1SOL     H6    6   0.025818  -0.131802   0.307914
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093701   0.017446  -0.008840
-    0SOL     H3    3  -0.008215  -0.094403  -0.013522
-    1SOL     O4    4  -0.164187   0.039233   0.211328
-    1SOL     H5    5  -0.204616   0.122562   0.187160
-    1SOL     H6    6  -0.114104   0.013512   0.133917
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.019696  -0.047197   0.080913
-    0SOL     H3    3  -0.062893   0.072140  -0.001620
-    1SOL     O4    4  -0.005993   0.276591  -0.080297
-    1SOL     H5    5   0.071712   0.263323  -0.134595
-    1SOL     H6    6  -0.073342   0.306096  -0.141583
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003750   0.021157   0.093277
-    0SOL     H3    3  -0.074491   0.050227  -0.033025
-    1SOL     O4    4  -0.166789   0.182211  -0.201834
-    1SOL     H5    5  -0.122108   0.247794  -0.148309
-    1SOL     H6    6  -0.105480   0.163415  -0.272899
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/506/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.037387   0.074212   0.047509
-    0SOL     H3    3   0.034865   0.008302  -0.088757
-    1SOL     O4    4  -0.270504  -0.057950   0.059186
-    1SOL     H5    5  -0.257519  -0.085349   0.149977
-    1SOL     H6    6  -0.181965  -0.046019   0.024823
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083277   0.015295  -0.044646
-    0SOL     H3    3  -0.030025  -0.084491  -0.033498
-    1SOL     O4    4   0.293927   0.052565  -0.021028
-    1SOL     H5    5   0.310486   0.136719  -0.063527
-    1SOL     H6    6   0.357478  -0.007161  -0.060478
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.026673   0.022443  -0.089147
-    0SOL     H3    3  -0.071315  -0.062824  -0.011385
-    1SOL     O4    4  -0.115435   0.224294   0.090144
-    1SOL     H5    5  -0.134511   0.183376   0.174549
-    1SOL     H6    6  -0.061705   0.159980   0.043894
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077574  -0.047915   0.029133
-    0SOL     H3    3  -0.071057  -0.063922   0.005225
-    1SOL     O4    4   0.157182   0.006856  -0.223165
-    1SOL     H5    5   0.222314   0.069929  -0.192473
-    1SOL     H6    6   0.093438   0.001608  -0.151951
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/510/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055507   0.033442  -0.070448
-    0SOL     H3    3  -0.089407   0.015178  -0.030632
-    1SOL     O4    4   0.093610  -0.228769   0.104967
-    1SOL     H5    5   0.050281  -0.156535   0.059501
-    1SOL     H6    6   0.171770  -0.246606   0.052667
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012275   0.045456   0.083339
-    0SOL     H3    3   0.069270  -0.063728   0.017399
-    1SOL     O4    4   0.172136   0.114207  -0.197671
-    1SOL     H5    5   0.223336   0.053315  -0.250896
-    1SOL     H6    6   0.113318   0.058199  -0.147016
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/512/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053442  -0.008869  -0.078915
-    0SOL     H3    3  -0.024854  -0.089692   0.022358
-    1SOL     O4    4   0.224609   0.069714   0.138192
-    1SOL     H5    5   0.131679   0.066776   0.115439
-    1SOL     H6    6   0.226735   0.053700   0.232539
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-    6
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-    0SOL     H3    3   0.005202  -0.009038  -0.095150
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-    1SOL     H5    5  -0.142984  -0.139094   0.115128
-    1SOL     H6    6  -0.030290  -0.144005   0.216098
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-    6
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-    0SOL     H2    2  -0.092649   0.023765  -0.003703
-    0SOL     H3    3   0.002322  -0.091813  -0.026969
-    1SOL     O4    4   0.080537   0.120787  -0.239053
-    1SOL     H5    5   0.079210   0.216276  -0.232539
-    1SOL     H6    6   0.053686   0.090440  -0.152333
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-    6
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-    0SOL     H2    2  -0.069136  -0.066096  -0.003722
-    0SOL     H3    3   0.059320  -0.023271  -0.071428
-    1SOL     O4    4   0.187665  -0.047482  -0.158181
-    1SOL     H5    5   0.239575  -0.098085  -0.095676
-    1SOL     H6    6   0.238571   0.032280  -0.172637
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076938  -0.025355  -0.050990
-    0SOL     H3    3   0.001396  -0.058108   0.076052
-    1SOL     O4    4   0.180086  -0.027989  -0.173428
-    1SOL     H5    5   0.237317  -0.098348  -0.142824
-    1SOL     H6    6   0.225584   0.052477  -0.148581
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.028740   0.080233  -0.043577
-    0SOL     H3    3  -0.015924  -0.061715  -0.071415
-    1SOL     O4    4  -0.034603  -0.040960   0.267220
-    1SOL     H5    5   0.005027   0.003622   0.342081
-    1SOL     H6    6  -0.011139   0.013196   0.191861
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-    6
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-    0SOL     H2    2  -0.038063  -0.053100  -0.069957
-    0SOL     H3    3   0.092991  -0.022688  -0.000538
-    1SOL     O4    4  -0.072331   0.009727   0.272063
-    1SOL     H5    5  -0.045912   0.013184   0.180126
-    1SOL     H6    6  -0.096682   0.099796   0.293439
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052721   0.053451  -0.059378
-    0SOL     H3    3  -0.063109  -0.058210   0.042322
-    1SOL     O4    4  -0.169731  -0.179597   0.110040
-    1SOL     H5    5  -0.164423  -0.274464   0.098446
-    1SOL     H6    6  -0.259284  -0.157289   0.084645
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080324   0.049358   0.016558
-    0SOL     H3    3   0.011263  -0.081359   0.049155
-    1SOL     O4    4   0.023104  -0.209866  -0.312253
-    1SOL     H5    5   0.113994  -0.194209  -0.286639
-    1SOL     H6    6   0.011101  -0.157405  -0.391411
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.046105  -0.013085   0.082858
-    0SOL     H3    3   0.060851   0.071792   0.017474
-    1SOL     O4    4  -0.222864   0.151577  -0.101258
-    1SOL     H5    5  -0.173097   0.202591  -0.165157
-    1SOL     H6    6  -0.160546   0.086685  -0.068580
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065521  -0.055829  -0.041862
-    0SOL     H3    3  -0.050568   0.071447   0.038736
-    1SOL     O4    4  -0.008286   0.085636  -0.354746
-    1SOL     H5    5  -0.012073   0.152854  -0.422789
-    1SOL     H6    6  -0.099334   0.073673  -0.327737
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048598   0.041621  -0.071191
-    0SOL     H3    3  -0.064851   0.065347   0.026202
-    1SOL     O4    4  -0.061569  -0.265042  -0.091607
-    1SOL     H5    5  -0.025035  -0.177110  -0.081833
-    1SOL     H6    6  -0.007126  -0.306334  -0.158640
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036403   0.086778  -0.017514
-    0SOL     H3    3   0.076544  -0.056767   0.008990
-    1SOL     O4    4  -0.093233  -0.266953  -0.116042
-    1SOL     H5    5  -0.046442  -0.297906  -0.038487
-    1SOL     H6    6  -0.109962  -0.346127  -0.167168
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074619   0.041318  -0.043442
-    0SOL     H3    3  -0.029874  -0.015296   0.089643
-    1SOL     O4    4   0.166940  -0.176267  -0.146880
-    1SOL     H5    5   0.136816  -0.144939  -0.232165
-    1SOL     H6    6   0.112134  -0.129910  -0.083559
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/526/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030692   0.083912  -0.034338
-    0SOL     H3    3  -0.095243   0.003894  -0.008715
-    1SOL     O4    4  -0.250686  -0.111972  -0.153967
-    1SOL     H5    5  -0.276606  -0.058085  -0.228711
-    1SOL     H6    6  -0.322638  -0.102615  -0.091535
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092217  -0.012601   0.022349
-    0SOL     H3    3  -0.020143  -0.071718  -0.060110
-    1SOL     O4    4   0.273446   0.000775   0.094468
-    1SOL     H5    5   0.328465  -0.074940   0.114532
-    1SOL     H6    6   0.269380   0.049903   0.176519
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.026344   0.086728  -0.030767
-    0SOL     H3    3   0.031056  -0.059982  -0.067824
-    1SOL     O4    4  -0.277954  -0.052432  -0.069490
-    1SOL     H5    5  -0.300358   0.014936  -0.005287
-    1SOL     H6    6  -0.185290  -0.070626  -0.053842
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048814  -0.075171   0.033599
-    0SOL     H3    3   0.066808   0.066491  -0.016672
-    1SOL     O4    4   0.039948  -0.053904   0.324740
-    1SOL     H5    5   0.001870   0.018007   0.274330
-    1SOL     H6    6   0.014245  -0.132851   0.277105
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/530/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078534   0.049999   0.022243
-    0SOL     H3    3   0.032356  -0.073756  -0.051724
-    1SOL     O4    4   0.180917   0.110058   0.188343
-    1SOL     H5    5   0.269209   0.142192   0.170058
-    1SOL     H6    6   0.178885   0.098190   0.283303
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/531/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094364  -0.010407  -0.012224
-    0SOL     H3    3  -0.035074   0.006993  -0.088787
-    1SOL     O4    4  -0.086227   0.017499  -0.280236
-    1SOL     H5    5  -0.180517   0.021122  -0.296317
-    1SOL     H6    6  -0.058499  -0.065650  -0.318703
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067224   0.068042  -0.003661
-    0SOL     H3    3  -0.043683   0.004822  -0.085035
-    1SOL     O4    4   0.102978  -0.188587   0.245901
-    1SOL     H5    5   0.156402  -0.136352   0.186070
-    1SOL     H6    6   0.160154  -0.260611   0.272468
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.045631  -0.083654  -0.009064
-    1SOL     O4    4  -0.107427  -0.272127   0.022100
-    1SOL     H5    5  -0.187061  -0.288250  -0.028505
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.093583  -0.016951  -0.010825
-    1SOL     O4    4   0.267184  -0.042857  -0.040013
-    1SOL     H5    5   0.293207  -0.001417  -0.122280
-    1SOL     H6    6   0.319437  -0.122951  -0.035906
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.038871  -0.016933  -0.085817
-    0SOL     H3    3   0.058928  -0.043034   0.061951
-    1SOL     O4    4  -0.253929  -0.011104  -0.076493
-    1SOL     H5    5  -0.227729   0.048019  -0.147065
-    1SOL     H6    6  -0.175976  -0.018843  -0.021486
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.027301   0.066873   0.062809
-    0SOL     H3    3   0.002064   0.045543  -0.084166
-    1SOL     O4    4  -0.006251   0.208288  -0.186016
-    1SOL     H5    5  -0.092779   0.215252  -0.226349
-    1SOL     H6    6   0.004275   0.290133  -0.137509
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.037408   0.085888  -0.019654
-    0SOL     H3    3  -0.075089  -0.053623   0.025465
-    1SOL     O4    4   0.186832   0.159709  -0.209035
-    1SOL     H5    5   0.175233   0.151420  -0.114383
-    1SOL     H6    6   0.177906   0.253456  -0.226188
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095263  -0.005651   0.007444
-    0SOL     H3    3   0.023688  -0.071164  -0.059472
-    1SOL     O4    4   0.011338   0.256057  -0.092175
-    1SOL     H5    5   0.065173   0.303223  -0.028617
-    1SOL     H6    6   0.016682   0.164468  -0.064877
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.038096   0.022960   0.084758
-    0SOL     H3    3   0.085912   0.042207   0.000078
-    1SOL     O4    4  -0.045420  -0.276568  -0.140225
-    1SOL     H5    5  -0.039152  -0.369127  -0.116649
-    1SOL     H6    6  -0.054130  -0.276620  -0.235548
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024032  -0.063289   0.067670
-    0SOL     H3    3  -0.083545   0.028164  -0.037274
-    1SOL     O4    4  -0.263406   0.027936   0.194364
-    1SOL     H5    5  -0.229172  -0.060578   0.181886
-    1SOL     H6    6  -0.327712   0.038891   0.124314
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093799   0.004407  -0.018564
-    0SOL     H3    3   0.022358   0.087558   0.031561
-    1SOL     O4    4   0.136575  -0.228521  -0.273718
-    1SOL     H5    5   0.049150  -0.210742  -0.308405
-    1SOL     H6    6   0.180772  -0.276741  -0.343602
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.026766   0.026221  -0.088081
-    0SOL     H3    3  -0.081479   0.047770   0.015541
-    1SOL     O4    4   0.317378  -0.115916   0.091952
-    1SOL     H5    5   0.387242  -0.180036   0.078914
-    1SOL     H6    6   0.239259  -0.168621   0.108743
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063714   0.018847  -0.068903
-    0SOL     H3    3  -0.061915   0.072890  -0.003975
-    1SOL     O4    4   0.180842   0.062073   0.186341
-    1SOL     H5    5   0.127691   0.051451   0.107446
-    1SOL     H6    6   0.133622   0.126944   0.238536
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073840   0.060744   0.004497
-    0SOL     H3    3   0.048895   0.027365  -0.077606
-    1SOL     O4    4  -0.027498   0.294283  -0.168579
-    1SOL     H5    5  -0.045940   0.366885  -0.108988
-    1SOL     H6    6   0.067644   0.284251  -0.165462
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.024798   0.018935  -0.090492
-    0SOL     H3    3  -0.066051   0.044787   0.052856
-    1SOL     O4    4  -0.033111   0.030942  -0.256729
-    1SOL     H5    5  -0.020995   0.124632  -0.241311
-    1SOL     H6    6   0.001120   0.016513  -0.344946
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003406  -0.010779  -0.095050
-    0SOL     H3    3  -0.013792  -0.088153   0.034658
-    1SOL     O4    4   0.044469  -0.031602  -0.265287
-    1SOL     H5    5   0.138458  -0.015467  -0.257047
-    1SOL     H6    6   0.006804   0.054562  -0.283160
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.088143   0.031771   0.019588
-    0SOL     H3    3   0.013670  -0.072989  -0.060399
-    1SOL     O4    4   0.026846  -0.201749  -0.165183
-    1SOL     H5    5   0.096462  -0.226578  -0.226005
-    1SOL     H6    6  -0.051374  -0.194548  -0.219883
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009000  -0.042079  -0.085502
-    0SOL     H3    3  -0.020477  -0.069078   0.063018
-    1SOL     O4    4   0.287595   0.051535  -0.036288
-    1SOL     H5    5   0.330823  -0.026464  -0.001505
-    1SOL     H6    6   0.195512   0.040524  -0.012583
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-    6
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-    0SOL     H2    2   0.074271   0.044000  -0.041354
-    0SOL     H3    3   0.006111  -0.090699  -0.029979
-    1SOL     O4    4  -0.055668   0.025719   0.275331
-    1SOL     H5    5   0.039501   0.021069   0.284473
-    1SOL     H6    6  -0.071980   0.004974   0.183321
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084911  -0.010904   0.042820
-    0SOL     H3    3  -0.054221  -0.070188   0.036001
-    1SOL     O4    4   0.106527   0.135649  -0.229545
-    1SOL     H5    5   0.200382   0.134597  -0.248318
-    1SOL     H6    6   0.096445   0.077332  -0.154314
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/551/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030542  -0.084079   0.034062
-    0SOL     H3    3   0.057186   0.064778   0.041181
-    1SOL     O4    4  -0.078181   0.168728  -0.221329
-    1SOL     H5    5  -0.048787   0.102514  -0.158767
-    1SOL     H6    6  -0.152422   0.128160  -0.266103
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/552/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074553  -0.022970   0.055466
-    0SOL     H3    3   0.017057   0.090244  -0.026970
-    1SOL     O4    4   0.177035  -0.090014   0.209920
-    1SOL     H5    5   0.185778  -0.025973   0.280521
-    1SOL     H6    6   0.265850  -0.100342   0.175751
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/553/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063650   0.060092  -0.038728
-    0SOL     H3    3   0.003045   0.024585   0.092459
-    1SOL     O4    4   0.271455   0.133528  -0.092669
-    1SOL     H5    5   0.221266   0.084341  -0.157662
-    1SOL     H6    6   0.352056   0.158036  -0.138113
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/554/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015784  -0.015173  -0.093182
-    0SOL     H3    3  -0.049302  -0.076822   0.028810
-    1SOL     O4    4   0.216347  -0.163787   0.230399
-    1SOL     H5    5   0.154404  -0.201533   0.292854
-    1SOL     H6    6   0.291334  -0.137601   0.283818
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/555/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022077   0.002937  -0.093093
-    0SOL     H3    3   0.057360   0.075440   0.013453
-    1SOL     O4    4  -0.200983   0.117466   0.173693
-    1SOL     H5    5  -0.133242   0.057243   0.142923
-    1SOL     H6    6  -0.263038   0.122940   0.101019
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/556/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055872  -0.060700   0.048540
-    0SOL     H3    3   0.055646   0.032446  -0.070803
-    1SOL     O4    4   0.080322   0.151521  -0.211521
-    1SOL     H5    5   0.174178   0.162845  -0.226521
-    1SOL     H6    6   0.044507   0.240198  -0.215529
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/557/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018330  -0.048375   0.080537
-    0SOL     H3    3  -0.062260   0.067762   0.026349
-    1SOL     O4    4   0.200075   0.015233  -0.174979
-    1SOL     H5    5   0.133493  -0.009267  -0.110722
-    1SOL     H6    6   0.228321  -0.067879  -0.213150
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/558/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015358  -0.092426  -0.019593
-    0SOL     H3    3   0.057276   0.018598   0.074403
-    1SOL     O4    4  -0.218100   0.139771  -0.033134
-    1SOL     H5    5  -0.266629   0.120808  -0.113431
-    1SOL     H6    6  -0.145481   0.077414  -0.033688
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/559/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012946  -0.031035  -0.089619
-    0SOL     H3    3   0.068437   0.066524  -0.007292
-    1SOL     O4    4   0.088377  -0.152321   0.217922
-    1SOL     H5    5   0.025309  -0.192980   0.277349
-    1SOL     H6    6   0.034821  -0.115331   0.147738
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/560/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008480  -0.029018  -0.090820
-    0SOL     H3    3  -0.093099   0.019718   0.010300
-    1SOL     O4    4  -0.287846   0.051007  -0.130223
-    1SOL     H5    5  -0.255231   0.140805  -0.124312
-    1SOL     H6    6  -0.382871   0.059422  -0.122368
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/561/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055265  -0.051690   0.058620
-    0SOL     H3    3   0.057223   0.022387  -0.073394
-    1SOL     O4    4  -0.175746  -0.066971   0.239597
-    1SOL     H5    5  -0.177605  -0.151695   0.195093
-    1SOL     H6    6  -0.087107  -0.060470   0.275138
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/562/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.025980  -0.043682   0.081113
-    0SOL     H3    3  -0.077347   0.051052   0.023947
-    1SOL     O4    4  -0.132500  -0.230816  -0.113457
-    1SOL     H5    5  -0.166937  -0.191246  -0.193523
-    1SOL     H6    6  -0.079109  -0.162017  -0.073728
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/563/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081794  -0.022590  -0.044291
-    0SOL     H3    3   0.019414   0.081615   0.046092
-    1SOL     O4    4  -0.137353   0.156125  -0.193665
-    1SOL     H5    5  -0.224519   0.135763  -0.227573
-    1SOL     H6    6  -0.102710   0.071842  -0.164364
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/564/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010706  -0.095115   0.000918
-    0SOL     H3    3   0.058918   0.018226   0.073204
-    1SOL     O4    4   0.304522  -0.046770   0.008045
-    1SOL     H5    5   0.283957   0.032781  -0.041059
-    1SOL     H6    6   0.380006  -0.022918   0.061855
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/565/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.090600   0.003408   0.030697
-    0SOL     H3    3  -0.040692  -0.068626   0.052886
-    1SOL     O4    4  -0.086595   0.237822   0.078983
-    1SOL     H5    5  -0.080524   0.146817   0.049941
-    1SOL     H6    6  -0.045944   0.288264   0.008517
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/566/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063325  -0.003822  -0.071678
-    0SOL     H3    3   0.019572   0.093185   0.009788
-    1SOL     O4    4   0.251039  -0.147693  -0.122332
-    1SOL     H5    5   0.177513  -0.144240  -0.061140
-    1SOL     H6    6   0.285829  -0.236384  -0.113065
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/567/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091525  -0.010983   0.025785
-    0SOL     H3    3   0.047070  -0.067136   0.049391
-    1SOL     O4    4  -0.092466  -0.176331   0.209009
-    1SOL     H5    5  -0.057380  -0.102197   0.258360
-    1SOL     H6    6  -0.052864  -0.253283   0.249902
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/568/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009742   0.094654  -0.010398
-    0SOL     H3    3  -0.032926  -0.011082   0.089193
-    1SOL     O4    4   0.255340  -0.104337   0.008131
-    1SOL     H5    5   0.172666  -0.062029  -0.015048
-    1SOL     H6    6   0.321309  -0.057996  -0.043472
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.053500  -0.037418  -0.070000
-    0SOL     H3    3  -0.000760  -0.066433   0.068909
-    1SOL     O4    4  -0.140940  -0.079076  -0.211597
-    1SOL     H5    5  -0.224344  -0.119635  -0.187908
-    1SOL     H6    6  -0.086485  -0.151892  -0.241511
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.058652  -0.070384   0.027721
-    0SOL     H3    3  -0.012124  -0.014428  -0.093846
-    1SOL     O4    4   0.137571  -0.222266   0.079758
-    1SOL     H5    5   0.227241  -0.241029   0.052018
-    1SOL     H6    6   0.088858  -0.302019   0.059047
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055377  -0.076621  -0.015000
-    0SOL     H3    3  -0.068813  -0.031252   0.058740
-    1SOL     O4    4   0.085552   0.391207   0.016394
-    1SOL     H5    5   0.008164   0.382007  -0.039184
-    1SOL     H6    6   0.148255   0.439373  -0.037555
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/II-MC/572/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060477  -0.071634  -0.019327
-    0SOL     H3    3   0.056395   0.076356   0.012319
-    1SOL     O4    4   0.103862  -0.253788  -0.009529
-    1SOL     H5    5   0.189279  -0.278795   0.025698
-    1SOL     H6    6   0.040851  -0.287279   0.054269
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.043314  -0.018817  -0.083260
-    0SOL     H3    3   0.045004  -0.081408   0.022576
-    1SOL     O4    4  -0.185920  -0.029665  -0.203953
-    1SOL     H5    5  -0.171327   0.007008  -0.291156
-    1SOL     H6    6  -0.212281  -0.120253  -0.220119
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095133  -0.008984   0.005589
-    0SOL     H3    3   0.013669   0.074721  -0.058244
-    1SOL     O4    4  -0.136705  -0.267772  -0.152865
-    1SOL     H5    5  -0.177822  -0.212498  -0.086407
-    1SOL     H6    6  -0.142669  -0.216697  -0.233600
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082190  -0.037649   0.031459
-    0SOL     H3    3   0.052333  -0.075561  -0.026724
-    1SOL     O4    4   0.173195   0.078164   0.206289
-    1SOL     H5    5   0.109644   0.051551   0.139841
-    1SOL     H6    6   0.153568   0.170404   0.222687
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045073  -0.074907  -0.038984
-    0SOL     H3    3  -0.040045   0.045217  -0.074257
-    1SOL     O4    4   0.113756  -0.217384  -0.101715
-    1SOL     H5    5   0.066192  -0.288177  -0.058261
-    1SOL     H6    6   0.203523  -0.225463  -0.069481
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.062462   0.044200  -0.057508
-    0SOL     H3    3  -0.041497  -0.083750   0.020647
-    1SOL     O4    4  -0.112849  -0.231938   0.058154
-    1SOL     H5    5  -0.066944  -0.314683   0.043725
-    1SOL     H6    6  -0.159667  -0.244541   0.140686
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078662  -0.005694   0.054241
-    0SOL     H3    3   0.058479   0.058172   0.048564
-    1SOL     O4    4  -0.276068  -0.041675  -0.108699
-    1SOL     H5    5  -0.300048  -0.132411  -0.127523
-    1SOL     H6    6  -0.189554  -0.031017  -0.148247
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052279   0.079349  -0.011529
-    0SOL     H3    3  -0.051433   0.016421   0.079040
-    1SOL     O4    4  -0.021949  -0.276317   0.081685
-    1SOL     H5    5  -0.117581  -0.279136   0.084674
-    1SOL     H6    6  -0.001708  -0.192768   0.039588
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.023334   0.053742  -0.075694
-    0SOL     H3    3  -0.095169  -0.008811  -0.005246
-    1SOL     O4    4  -0.027812   0.086703   0.266859
-    1SOL     H5    5   0.042934   0.140185   0.302874
-    1SOL     H6    6   0.004713   0.058242   0.181452
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093968  -0.016646   0.007428
-    0SOL     H3    3   0.040196  -0.086735   0.004870
-    1SOL     O4    4  -0.168063   0.263864   0.041153
-    1SOL     H5    5  -0.261859   0.282951   0.041667
-    1SOL     H6    6  -0.148382   0.242689  -0.050097
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083903  -0.000332  -0.046071
-    0SOL     H3    3  -0.048960  -0.072535  -0.038781
-    1SOL     O4    4  -0.133772   0.257092   0.090011
-    1SOL     H5    5  -0.135120   0.256328   0.185718
-    1SOL     H6    6  -0.116998   0.166092   0.065519
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049214  -0.081629   0.008778
-    0SOL     H3    3   0.067064   0.068220  -0.003293
-    1SOL     O4    4  -0.184122  -0.260510   0.031301
-    1SOL     H5    5  -0.218823  -0.268867   0.120118
-    1SOL     H6    6  -0.089259  -0.255332   0.042988
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085678  -0.022246   0.036424
-    0SOL     H3    3  -0.015027   0.006748  -0.094292
-    1SOL     O4    4  -0.234612  -0.278652   0.195524
-    1SOL     H5    5  -0.267042  -0.217627   0.261755
-    1SOL     H6    6  -0.311109  -0.298225   0.141418
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.033101  -0.089696  -0.004608
-    0SOL     H3    3   0.093631  -0.008007  -0.018207
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-    6
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-    1SOL     O4    4  -0.050813  -0.219019  -0.148651
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-    6
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-    1SOL     O4    4   0.090164   0.310913  -0.085141
-    1SOL     H5    5   0.156160   0.260528  -0.037516
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-    6
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-    6
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-    1SOL     H6    6   0.104814   0.085606   0.314635
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-    6
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-    6
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-    0SOL     H3    3  -0.085466  -0.024514   0.035453
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-    1SOL     H5    5  -0.307735  -0.135871   0.005694
-    1SOL     H6    6  -0.321019  -0.007113   0.084205
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-    6
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-    0SOL     H3    3   0.065599   0.048880   0.049698
-    1SOL     O4    4   0.178696   0.164184   0.116694
-    1SOL     H5    5   0.129576   0.245760   0.126434
-    1SOL     H6    6   0.232479   0.177723   0.038678
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-    6
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-    1SOL     H5    5   0.033088  -0.143470  -0.319875
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010625   0.010526   0.094544
-    0SOL     H3    3  -0.031953   0.085035  -0.030174
-    1SOL     O4    4  -0.256572   0.014639  -0.361599
-    1SOL     H5    5  -0.218742  -0.043228  -0.295397
-    1SOL     H6    6  -0.350938  -0.000103  -0.355260
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.037195   0.088186   0.001456
-    0SOL     H3    3   0.064134  -0.052306  -0.048096
-    1SOL     O4    4   0.087697  -0.252230  -0.086348
-    1SOL     H5    5  -0.007909  -0.254515  -0.082270
-    1SOL     H6    6   0.108096  -0.265632  -0.178904
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084142   0.020526  -0.040756
-    0SOL     H3    3  -0.063574   0.007361  -0.071180
-    1SOL     O4    4  -0.078177   0.338431   0.058723
-    1SOL     H5    5  -0.129192   0.386695  -0.006319
-    1SOL     H6    6  -0.064140   0.401202   0.129611
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.008756  -0.026273   0.091626
-    0SOL     H3    3  -0.090046   0.011299  -0.030436
-    1SOL     O4    4  -0.073329  -0.135084   0.227242
-    1SOL     H5    5  -0.019756  -0.214396   0.228599
-    1SOL     H6    6  -0.031399  -0.076716   0.290467
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000231   0.009744  -0.095223
-    0SOL     H3    3  -0.090110   0.018781   0.026264
-    1SOL     O4    4  -0.193401   0.180178   0.095511
-    1SOL     H5    5  -0.277779   0.182208   0.050360
-    1SOL     H6    6  -0.145456   0.255104   0.060159
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.013839  -0.094242   0.009447
-    0SOL     H3    3  -0.035189   0.020868  -0.086537
-    1SOL     O4    4  -0.060012   0.140851  -0.222494
-    1SOL     H5    5  -0.091614   0.091187  -0.297974
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/000/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.092820   0.010331  -0.020978
-    0SOL     H3    3  -0.045011   0.012359  -0.083568
-    1SOL     O4    4  -0.191050   0.052168  -0.195749
-    1SOL     H5    5  -0.200274   0.147056  -0.187175
-    1SOL     H6    6  -0.271566   0.016723  -0.158025
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/001/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025940  -0.061429  -0.068673
-    0SOL     H3    3  -0.063326  -0.014461   0.070306
-    1SOL     O4    4  -0.042868  -0.202860  -0.176324
-    1SOL     H5    5  -0.134643  -0.228118  -0.186409
-    1SOL     H6    6  -0.008882  -0.199692  -0.265751
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024472   0.074402  -0.055025
-    0SOL     H3    3   0.044600   0.015968   0.083175
-    1SOL     O4    4   0.019918   0.182007  -0.204207
-    1SOL     H5    5   0.113104   0.172024  -0.223674
-    1SOL     H6    6  -0.024230   0.159956  -0.286226
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/003/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018666   0.072824   0.059250
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-    1SOL     O4    4   0.052304   0.316168  -0.112817
-    1SOL     H5    5   0.052999   0.260390  -0.190603
-    1SOL     H6    6   0.115243   0.275285  -0.053406
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/004/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072429   0.039240  -0.048751
-    0SOL     H3    3  -0.075895   0.010192  -0.057432
-    1SOL     O4    4   0.018122   0.220408   0.165868
-    1SOL     H5    5  -0.037935   0.226013   0.243253
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-    6
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-    1SOL     H5    5   0.278032  -0.046739   0.138564
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.064360  -0.020123   0.067936
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.011781  -0.271143  -0.010457
-    1SOL     H5    5   0.001523  -0.177752   0.005773
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.052794  -0.185018  -0.219859
-    1SOL     H5    5  -0.147206  -0.180116  -0.204870
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.039613  -0.067170  -0.055510
-    1SOL     O4    4   0.256003   0.038200  -0.030014
-    1SOL     H5    5   0.285038   0.106049  -0.090972
-    1SOL     H6    6   0.303570   0.056735   0.050956
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.133002  -0.134782  -0.202387
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.009180   0.036894   0.087846
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-    6
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-    0SOL     H3    3  -0.037713  -0.044358  -0.075977
-    1SOL     O4    4  -0.033275   0.275042  -0.028320
-    1SOL     H5    5   0.047089   0.299921   0.017341
-    1SOL     H6    6  -0.101052   0.277689   0.039220
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.085406   0.013558   0.041041
-    1SOL     O4    4   0.031207  -0.179112  -0.195708
-    1SOL     H5    5   0.019725  -0.266969  -0.159492
-    1SOL     H6    6  -0.028015  -0.176202  -0.270852
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.194042   0.030532  -0.191232
-    1SOL     H5    5  -0.186959   0.125760  -0.197850
-    1SOL     H6    6  -0.281103   0.015443  -0.154421
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001065   0.081265  -0.050569
-    0SOL     H3    3   0.029792  -0.066500  -0.062068
-    1SOL     O4    4   0.060450  -0.170016  -0.218275
-    1SOL     H5    5   0.030628  -0.142747  -0.305047
-    1SOL     H6    6   0.034996  -0.262075  -0.211983
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006069   0.095482  -0.002928
-    0SOL     H3    3  -0.061867  -0.017955   0.070799
-    1SOL     O4    4   0.041869  -0.210025  -0.144387
-    1SOL     H5    5   0.019075  -0.122304  -0.113600
-    1SOL     H6    6  -0.016717  -0.225423  -0.218501
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065745   0.027319  -0.063981
-    0SOL     H3    3  -0.021012   0.050027   0.078855
-    1SOL     O4    4   0.249987  -0.029238  -0.055031
-    1SOL     H5    5   0.155873  -0.016136  -0.066574
-    1SOL     H6    6   0.286662  -0.018438  -0.142784
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082143  -0.020178   0.044808
-    0SOL     H3    3   0.067913  -0.018709   0.064808
-    1SOL     O4    4   0.049547  -0.210271  -0.131892
-    1SOL     H5    5   0.028990  -0.134189  -0.077565
-    1SOL     H6    6   0.145071  -0.210289  -0.138005
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087693  -0.021677   0.031660
-    0SOL     H3    3   0.043631   0.039625   0.075422
-    1SOL     O4    4  -0.112182  -0.190900   0.365637
-    1SOL     H5    5  -0.137724  -0.105781   0.330075
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.208888  -0.013899  -0.265441
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.155276  -0.195026  -0.198751
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.195198  -0.154161  -0.202902
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-    6
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-    1SOL     H6    6   0.106699   0.005117   0.109752
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.323911   0.000651  -0.027494
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.041652   0.368810  -0.153751
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    0SOL     H3    3  -0.006814  -0.079878   0.052302
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.371985   0.040764  -0.002476
-    1SOL     H5    5   0.330897   0.027236  -0.087864
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4   0.075767  -0.142877   0.214873
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H6    6   0.229149  -0.004646  -0.137002
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-    6
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-    0SOL     H3    3  -0.064403   0.003565  -0.070724
-    1SOL     O4    4  -0.388819   0.022177  -0.045455
-    1SOL     H5    5  -0.357321  -0.051745   0.006561
-    1SOL     H6    6  -0.372677   0.098834   0.009548
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-    6
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-    0SOL     H3    3  -0.015390   0.094453   0.002030
-    1SOL     O4    4  -0.018774  -0.181238   0.211782
-    1SOL     H5    5   0.021262  -0.108636   0.163944
-    1SOL     H6    6   0.048197  -0.208475   0.274514
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089506  -0.031159   0.013419
-    0SOL     H3    3   0.014690   0.062209   0.071250
-    1SOL     O4    4   0.104255   0.172294   0.177891
-    1SOL     H5    5   0.097894   0.260570   0.141432
-    1SOL     H6    6   0.045595   0.173282   0.253524
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-    6
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-    0SOL     H2    2   0.092784  -0.015539  -0.017662
-    0SOL     H3    3  -0.003585   0.090182   0.031885
-    1SOL     O4    4  -0.066912  -0.194718   0.175705
-    1SOL     H5    5  -0.069421  -0.122038   0.113467
-    1SOL     H6    6   0.013049  -0.180244   0.226292
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-    6
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-    0SOL     H2    2   0.064551   0.036815   0.060333
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-    1SOL     O4    4   0.120184  -0.110759  -0.300516
-    1SOL     H5    5   0.137782  -0.201766  -0.324400
-    1SOL     H6    6   0.119063  -0.063840  -0.383941
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093674   0.019456  -0.002988
-    0SOL     H3    3  -0.018876  -0.012914   0.092948
-    1SOL     O4    4  -0.186526  -0.030324  -0.184170
-    1SOL     H5    5  -0.105501  -0.008307  -0.138207
-    1SOL     H6    6  -0.192341  -0.125682  -0.178217
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.090164  -0.022693  -0.022755
-    1SOL     O4    4  -0.262674  -0.030668   0.008573
-    1SOL     H5    5  -0.339827  -0.008612  -0.043613
-    1SOL     H6    6  -0.262686  -0.126320   0.012184
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093374   0.016114   0.013564
-    0SOL     H3    3  -0.003889  -0.087479  -0.038661
-    1SOL     O4    4  -0.180812   0.088236   0.187038
-    1SOL     H5    5  -0.114347   0.042819   0.135249
-    1SOL     H6    6  -0.185617   0.038610   0.268748
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.083603   0.017626  -0.043153
-    0SOL     H3    3   0.066079   0.024755  -0.064676
-    1SOL     O4    4   0.132268  -0.115959   0.296755
-    1SOL     H5    5   0.179542  -0.076371   0.223541
-    1SOL     H6    6   0.042509  -0.125635   0.264942
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.006501   0.093425  -0.019792
-    0SOL     H3    3  -0.001198  -0.042807  -0.085606
-    1SOL     O4    4  -0.211456  -0.074107   0.168171
-    1SOL     H5    5  -0.193958  -0.014881   0.241304
-    1SOL     H6    6  -0.133324  -0.068100   0.113201
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095535  -0.005809   0.001271
-    0SOL     H3    3   0.020012   0.048868  -0.079836
-    1SOL     O4    4   0.099031   0.202750  -0.150395
-    1SOL     H5    5   0.067288   0.253355  -0.075602
-    1SOL     H6    6   0.028508   0.208409  -0.214868
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/216/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094743   0.011629   0.007136
-    0SOL     H3    3   0.034543   0.032987   0.082952
-    1SOL     O4    4   0.006727   0.329075  -0.023508
-    1SOL     H5    5   0.077542   0.303138   0.035439
-    1SOL     H6    6   0.024587   0.281735  -0.104763
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087562  -0.033343  -0.019583
-    0SOL     H3    3  -0.053874  -0.029456  -0.073432
-    1SOL     O4    4   0.100661  -0.146275  -0.249902
-    1SOL     H5    5   0.184951  -0.166583  -0.290462
-    1SOL     H6    6   0.084463  -0.219409  -0.190310
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001234   0.072028   0.063029
-    0SOL     H3    3  -0.081113   0.012586  -0.049240
-    1SOL     O4    4   0.001533   0.171639   0.200323
-    1SOL     H5    5   0.009709   0.266995   0.198677
-    1SOL     H6    6  -0.074316   0.155018   0.256296
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/219/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017751  -0.093269  -0.012171
-    0SOL     H3    3  -0.062727   0.003266   0.072229
-    1SOL     O4    4  -0.166556   0.026340   0.228515
-    1SOL     H5    5  -0.144485   0.112862   0.262999
-    1SOL     H6    6  -0.139945  -0.034481   0.297472
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/220/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010754  -0.092406  -0.022537
-    0SOL     H3    3   0.066023   0.016103   0.067409
-    1SOL     O4    4   0.097313  -0.275167  -0.037160
-    1SOL     H5    5   0.186356  -0.305427  -0.054989
-    1SOL     H6    6   0.041351  -0.347910  -0.064346
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/221/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056367  -0.002978   0.077306
-    0SOL     H3    3  -0.088620  -0.010952   0.034480
-    1SOL     O4    4   0.142130  -0.034988   0.206875
-    1SOL     H5    5   0.146462   0.044968   0.259320
-    1SOL     H6    6   0.224625  -0.036357   0.158346
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091586  -0.024845   0.012533
-    0SOL     H3    3   0.037851  -0.002744   0.087875
-    1SOL     O4    4  -0.292846  -0.006891  -0.011457
-    1SOL     H5    5  -0.302740  -0.082617  -0.069163
-    1SOL     H6    6  -0.357422  -0.020893   0.057798
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.019426  -0.092990   0.011741
-    0SOL     H3    3   0.093442   0.002583  -0.020596
-    1SOL     O4    4   0.255946   0.208657   0.180557
-    1SOL     H5    5   0.255802   0.300760   0.154492
-    1SOL     H6    6   0.224338   0.161804   0.103304
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093025  -0.010148   0.020141
-    0SOL     H3    3  -0.003796   0.075796  -0.058334
-    1SOL     O4    4  -0.054005  -0.242263  -0.200542
-    1SOL     H5    5  -0.074124  -0.333187  -0.178397
-    1SOL     H6    6  -0.080932  -0.192271  -0.123483
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031458  -0.075614   0.049550
-    0SOL     H3    3   0.072013   0.021492  -0.059284
-    1SOL     O4    4   0.081568  -0.200369   0.196582
-    1SOL     H5    5   0.109285  -0.287492   0.168236
-    1SOL     H6    6   0.160315  -0.161262   0.234423
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071649   0.016225   0.061364
-    0SOL     H3    3  -0.022529  -0.083132  -0.041759
-    1SOL     O4    4  -0.198354   0.085067   0.170263
-    1SOL     H5    5  -0.192864   0.180483   0.164984
-    1SOL     H6    6  -0.273873   0.062336   0.116017
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.095569   0.003479   0.004093
-    0SOL     H3    3  -0.019484  -0.088378  -0.031177
-    1SOL     O4    4   0.278356  -0.012309  -0.028481
-    1SOL     H5    5   0.300536   0.030342  -0.111253
-    1SOL     H6    6   0.343484   0.020396   0.033576
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012039  -0.094960   0.000286
-    0SOL     H3    3  -0.079963   0.013901  -0.050745
-    1SOL     O4    4   0.024393  -0.260230   0.000658
-    1SOL     H5    5   0.090087  -0.293640  -0.060419
-    1SOL     H6    6   0.022993  -0.324265   0.071791
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.054671  -0.037255   0.069177
-    0SOL     H3    3  -0.025381  -0.047750  -0.078981
-    1SOL     O4    4   0.271802   0.025545   0.047527
-    1SOL     H5    5   0.179640   0.004940   0.031909
-    1SOL     H6    6   0.289909   0.099758  -0.010151
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.057770  -0.073605   0.020182
-    0SOL     H3    3   0.029639   0.070318   0.057786
-    1SOL     O4    4  -0.291978  -0.080587   0.158241
-    1SOL     H5    5  -0.288282   0.002086   0.110138
-    1SOL     H6    6  -0.367121  -0.070970   0.216750
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084308  -0.017346  -0.041875
-    0SOL     H3    3  -0.064919  -0.021145  -0.067087
-    1SOL     O4    4  -0.165677  -0.080446  -0.201971
-    1SOL     H5    5  -0.256354  -0.049827  -0.200395
-    1SOL     H6    6  -0.125114  -0.031658  -0.273641
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091089  -0.026584  -0.012584
-    0SOL     H3    3   0.005635   0.086357   0.040903
-    1SOL     O4    4  -0.067828  -0.178841   0.196021
-    1SOL     H5    5  -0.049476  -0.118410   0.124094
-    1SOL     H6    6   0.000565  -0.160848   0.260526
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093229   0.018368  -0.011545
-    0SOL     H3    3  -0.012267  -0.086866  -0.038290
-    1SOL     O4    4   0.267906   0.006922   0.004792
-    1SOL     H5    5   0.307500   0.066166  -0.059120
-    1SOL     H6    6   0.318138   0.021131   0.085025
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084137  -0.034508   0.029874
-    0SOL     H3    3  -0.060756  -0.019890   0.071242
-    1SOL     O4    4   0.068443   0.255717  -0.017728
-    1SOL     H5    5  -0.001814   0.293056   0.035489
-    1SOL     H6    6   0.046121   0.162942  -0.025269
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093814  -0.016935  -0.008628
-    0SOL     H3    3   0.027871  -0.055760   0.072638
-    1SOL     O4    4  -0.041688   0.266459  -0.010623
-    1SOL     H5    5  -0.013328   0.175226  -0.004748
-    1SOL     H6    6   0.011311   0.312311   0.054576
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009952   0.092358   0.023094
-    0SOL     H3    3  -0.071704  -0.044013   0.045647
-    1SOL     O4    4   0.093055  -0.225208  -0.131182
-    1SOL     H5    5   0.184745  -0.243315  -0.151858
-    1SOL     H6    6   0.094293  -0.138607  -0.090428
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094649  -0.012044  -0.007671
-    0SOL     H3    3   0.010149   0.069684   0.064834
-    1SOL     O4    4   0.215103   0.061855  -0.187234
-    1SOL     H5    5   0.142840   0.029741  -0.133299
-    1SOL     H6    6   0.212458   0.007309  -0.265847
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005158  -0.046944  -0.083258
-    0SOL     H3    3   0.089644  -0.000722   0.033552
-    1SOL     O4    4   0.274378   0.022585  -0.000004
-    1SOL     H5    5   0.293061   0.111330  -0.030626
-    1SOL     H6    6   0.339003   0.006846   0.068830
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084506  -0.017284  -0.041501
-    0SOL     H3    3   0.011846  -0.072463   0.061410
-    1SOL     O4    4  -0.303125   0.065156   0.097591
-    1SOL     H5    5  -0.218707   0.080178   0.140137
-    1SOL     H6    6  -0.298031   0.114855   0.015943
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012945   0.093101  -0.018080
-    0SOL     H3    3   0.032672  -0.044411  -0.078246
-    1SOL     O4    4   0.080494  -0.220893  -0.140303
-    1SOL     H5    5   0.171312  -0.215670  -0.170088
-    1SOL     H6    6   0.083032  -0.281202  -0.066015
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.285677  -0.119522   0.011014
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-    6
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-    1SOL     H5    5   0.200779   0.211989  -0.210174
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-    6
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-    0SOL     H3    3  -0.001129   0.095568   0.005278
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-    1SOL     H5    5  -0.245723   0.098044  -0.074156
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-    6
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-    6
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-    1SOL     H5    5   0.287534  -0.046979  -0.180321
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-    6
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-    6
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-    6
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-    1SOL     O4    4   0.259298   0.033240   0.039681
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084722  -0.043374   0.010157
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-    1SOL     O4    4   0.216242  -0.080881   0.163942
-    1SOL     H5    5   0.284474  -0.054514   0.102204
-    1SOL     H6    6   0.214811  -0.011050   0.229392
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.090957  -0.025385   0.015643
-    0SOL     H3    3   0.005250   0.067775  -0.067389
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-    1SOL     H5    5   0.013601   0.307686   0.112963
-    1SOL     H6    6   0.153689   0.333629   0.061765
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051690   0.033563   0.073239
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-    1SOL     H5    5   0.272117   0.010357   0.176064
-    1SOL     H6    6   0.161094  -0.026562   0.272135
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005887  -0.054278   0.078623
-    0SOL     H3    3  -0.093956   0.011331  -0.014360
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-    1SOL     H5    5   0.055004   0.295367   0.140537
-    1SOL     H6    6   0.048942   0.154379   0.085723
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.088966  -0.003713   0.035123
-    0SOL     H3    3   0.054040   0.026823   0.074314
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-    1SOL     H5    5  -0.081522  -0.305864  -0.009023
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.227589   0.199938   0.198996
-    1SOL     H6    6   0.188682   0.053674   0.195512
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.307815   0.081168  -0.138182
-    1SOL     H5    5   0.383910   0.116236  -0.184466
-    1SOL     H6    6   0.307666  -0.012148  -0.159498
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.012854   0.092093   0.022715
-    1SOL     O4    4  -0.174514  -0.099543  -0.209625
-    1SOL     H5    5  -0.132572  -0.041029  -0.146544
-    1SOL     H6    6  -0.132532  -0.078875  -0.293127
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080472   0.033940   0.039174
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-    1SOL     H5    5   0.309131  -0.027811   0.155283
-    1SOL     H6    6   0.196845  -0.087175   0.237665
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.018219  -0.125047   0.297924
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.024561  -0.286106  -0.136096
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.096036  -0.155843  -0.236632
-    1SOL     H5    5   0.007791  -0.140781  -0.202746
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.198720   0.015816   0.180646
-    1SOL     H5    5   0.287616  -0.007944   0.154276
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.074307   0.032482   0.050851
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-    1SOL     H5    5  -0.077957   0.287187  -0.131671
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.085893  -0.215057   0.148626
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.013370  -0.069267   0.064696
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-    1SOL     H5    5  -0.105883  -0.151257   0.242906
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.034892   0.152888   0.219259
-    1SOL     H5    5  -0.011875   0.235712   0.177154
-    1SOL     H6    6  -0.130022   0.156634   0.229182
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.060115  -0.042332   0.061290
-    1SOL     O4    4  -0.067023   0.279770   0.017848
-    1SOL     H5    5   0.003651   0.313283   0.073024
-    1SOL     H6    6  -0.046738   0.186897   0.006644
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091066   0.005621   0.028942
-    0SOL     H3    3  -0.051124   0.003237   0.080859
-    1SOL     O4    4   0.157482   0.088025   0.251363
-    1SOL     H5    5   0.156791   0.000187   0.289394
-    1SOL     H6    6   0.237460   0.128228   0.285269
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.015668  -0.079738  -0.050584
-    1SOL     O4    4  -0.027704   0.258136  -0.042418
-    1SOL     H5    5  -0.016868   0.163610  -0.052887
-    1SOL     H6    6  -0.008771   0.294202  -0.129039
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004695  -0.067719  -0.067486
-    0SOL     H3    3   0.070073  -0.022289   0.061280
-    1SOL     O4    4   0.098010   0.151115  -0.345531
-    1SOL     H5    5   0.138026   0.225114  -0.391194
-    1SOL     H6    6   0.163544   0.124408  -0.281076
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056415  -0.008408   0.076870
-    0SOL     H3    3   0.018295   0.087697  -0.033718
-    1SOL     O4    4  -0.222371   0.010195   0.164810
-    1SOL     H5    5  -0.153436   0.001043   0.099034
-    1SOL     H6    6  -0.189196   0.076579   0.225265
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.034379   0.087697  -0.017018
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-    1SOL     O4    4  -0.081401  -0.149268  -0.214934
-    1SOL     H5    5  -0.169147  -0.122114  -0.241870
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.161922  -0.210302  -0.203915
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-    6
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-    1SOL     H5    5  -0.044172  -0.145859  -0.095373
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-    6
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-    1SOL     H5    5  -0.008627   0.115739  -0.318725
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-    6
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-    1SOL     O4    4  -0.114099   0.065699   0.247494
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.207175   0.110356   0.159330
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.199116  -0.254532  -0.137740
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-    6
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-    1SOL     H5    5   0.236226  -0.273577   0.073728
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.166365   0.024122   0.297638
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.204982   0.023818  -0.241852
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.045208  -0.193496   0.235381
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-    6
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-    1SOL     O4    4   0.279087   0.018497   0.001854
-    1SOL     H5    5   0.184447   0.022524  -0.011903
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085681  -0.005162   0.042361
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-    1SOL     O4    4  -0.253391  -0.001372   0.102544
-    1SOL     H5    5  -0.326911   0.053125   0.074486
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4   0.233429   0.150683  -0.056134
-    1SOL     H5    5   0.309654   0.121069  -0.105885
-    1SOL     H6    6   0.170339   0.079132  -0.064031
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-    6
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-    1SOL     O4    4   0.017045   0.270134  -0.194812
-    1SOL     H5    5   0.018691   0.347903  -0.250594
-    1SOL     H6    6   0.053334   0.200533  -0.249594
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-    6
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-    0SOL     H2    2  -0.025477   0.023065   0.089338
-    0SOL     H3    3  -0.033883  -0.088647  -0.012489
-    1SOL     O4    4  -0.089248   0.191760  -0.160167
-    1SOL     H5    5  -0.023410   0.196513  -0.229485
-    1SOL     H6    6  -0.063245   0.116171  -0.107513
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-    6
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-    0SOL     H3    3  -0.030046  -0.046466  -0.078106
-    1SOL     O4    4   0.262351  -0.015694   0.090767
-    1SOL     H5    5   0.184775  -0.025450   0.035548
-    1SOL     H6    6   0.277485   0.078752   0.094420
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-    6
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-    1SOL     O4    4   0.028703  -0.241951   0.148649
-    1SOL     H5    5   0.061228  -0.305283   0.084669
-    1SOL     H6    6   0.039408  -0.156985   0.105889
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091972  -0.016214   0.020989
-    0SOL     H3    3  -0.047578  -0.026150   0.078834
-    1SOL     O4    4   0.261853  -0.059808   0.052558
-    1SOL     H5    5   0.260105  -0.152034   0.078123
-    1SOL     H6    6   0.307723  -0.059058  -0.031453
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.038224   0.048373  -0.073221
-    0SOL     H3    3  -0.069297  -0.002360   0.065990
-    1SOL     O4    4  -0.012677  -0.238449  -0.160498
-    1SOL     H5    5   0.045102  -0.236130  -0.236777
-    1SOL     H6    6   0.009384  -0.159378  -0.111269
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/358/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036564  -0.087145  -0.015204
-    0SOL     H3    3   0.023260   0.049792  -0.078371
-    1SOL     O4    4   0.073668  -0.267965   0.022507
-    1SOL     H5    5   0.070405  -0.343837  -0.035760
-    1SOL     H6    6   0.012478  -0.289184   0.092990
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052916   0.013438   0.078624
-    0SOL     H3    3   0.032763   0.087189  -0.022068
-    1SOL     O4    4  -0.109269  -0.064050   0.231355
-    1SOL     H5    5  -0.091641  -0.156753   0.247410
-    1SOL     H6    6  -0.204131  -0.055640   0.240990
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/360/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.036865  -0.018382  -0.086403
-    0SOL     H3    3   0.094727  -0.005249  -0.012713
-    1SOL     O4    4   0.130533   0.081062  -0.399617
-    1SOL     H5    5   0.189362   0.097180  -0.473384
-    1SOL     H6    6   0.164646   0.136223  -0.329219
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/361/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061626  -0.072238   0.012092
-    0SOL     H3    3  -0.053575   0.078890   0.008274
-    1SOL     O4    4  -0.128362   0.216644   0.055228
-    1SOL     H5    5  -0.088930   0.240621   0.139088
-    1SOL     H6    6  -0.216396   0.186610   0.077817
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/362/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055699   0.039287   0.067204
-    0SOL     H3    3  -0.083711  -0.014960   0.043944
-    1SOL     O4    4   0.139737   0.118616   0.206859
-    1SOL     H5    5   0.108066   0.076240   0.286631
-    1SOL     H6    6   0.106886   0.208334   0.212679
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/363/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082367   0.033677  -0.035268
-    0SOL     H3    3  -0.008736   0.042506   0.085318
-    1SOL     O4    4   0.076040  -0.256084   0.106000
-    1SOL     H5    5   0.146844  -0.218203   0.158097
-    1SOL     H6    6   0.021239  -0.181348   0.082044
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/364/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.038491   0.081125  -0.033160
-    0SOL     H3    3   0.070327   0.028833   0.058182
-    1SOL     O4    4   0.131344  -0.250834  -0.032795
-    1SOL     H5    5   0.218157  -0.213845  -0.048848
-    1SOL     H6    6   0.072057  -0.175832  -0.037503
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/365/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.026676  -0.053667  -0.074636
-    0SOL     H3    3  -0.082171   0.040517  -0.027725
-    1SOL     O4    4   0.232789  -0.081418  -0.166593
-    1SOL     H5    5   0.268603  -0.118336  -0.247319
-    1SOL     H6    6   0.246230   0.012950  -0.175331
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/366/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.046483  -0.072451  -0.041862
-    0SOL     H3    3   0.020580   0.076199  -0.054153
-    1SOL     O4    4   0.114413  -0.071114   0.242020
-    1SOL     H5    5   0.043254  -0.132008   0.222255
-    1SOL     H6    6   0.108121  -0.003985   0.174076
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/367/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.034052   0.040868  -0.079578
-    0SOL     H3    3  -0.000182   0.070247   0.065021
-    1SOL     O4    4  -0.107639   0.147704  -0.208196
-    1SOL     H5    5  -0.195977   0.153307  -0.171764
-    1SOL     H6    6  -0.104664   0.062074  -0.250868
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/368/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024360   0.091428  -0.014487
-    0SOL     H3    3   0.083484  -0.045898   0.009278
-    1SOL     O4    4  -0.213215  -0.080332  -0.143487
-    1SOL     H5    5  -0.295353  -0.034300  -0.126259
-    1SOL     H6    6  -0.148079  -0.033575  -0.091204
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052374   0.035092  -0.072026
-    0SOL     H3    3  -0.063515  -0.017985   0.069316
-    1SOL     O4    4   0.189948   0.183776  -0.002189
-    1SOL     H5    5   0.201860   0.236813   0.076598
-    1SOL     H6    6   0.124935   0.118081   0.022708
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080708   0.015689   0.049014
-    0SOL     H3    3  -0.029467  -0.033768  -0.084580
-    1SOL     O4    4   0.232068  -0.034865   0.176529
-    1SOL     H5    5   0.150883  -0.002992   0.137090
-    1SOL     H6    6   0.299951  -0.013047   0.112669
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.036190  -0.079337   0.039475
-    1SOL     O4    4  -0.115481   0.005017   0.293206
-    1SOL     H5    5  -0.180345  -0.046025   0.244734
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.034160   0.077532  -0.044545
-    0SOL     H3    3  -0.093895   0.016585   0.008431
-    1SOL     O4    4  -0.259258   0.087262   0.024623
-    1SOL     H5    5  -0.312631   0.038427  -0.038058
-    1SOL     H6    6  -0.302684   0.172242   0.032040
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019710  -0.092013   0.017531
-    0SOL     H3    3   0.085206   0.039831  -0.017771
-    1SOL     O4    4   0.067156  -0.251668   0.027107
-    1SOL     H5    5   0.027137  -0.312437  -0.035086
-    1SOL     H6    6   0.071449  -0.300708   0.109198
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055622  -0.024037   0.074099
-    0SOL     H3    3  -0.006766  -0.080133  -0.051916
-    1SOL     O4    4   0.198714   0.232383   0.101220
-    1SOL     H5    5   0.259113   0.277769   0.159995
-    1SOL     H6    6   0.131425   0.297410   0.081071
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045969   0.080572   0.023607
-    0SOL     H3    3  -0.061893  -0.047600  -0.055369
-    1SOL     O4    4   0.111711  -0.061153   0.222408
-    1SOL     H5    5   0.147804   0.007784   0.278151
-    1SOL     H6    6   0.073577  -0.014413   0.148087
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000659   0.091749   0.027277
-    0SOL     H3    3   0.091558  -0.027354   0.005581
-    1SOL     O4    4  -0.083812   0.281589   0.024632
-    1SOL     H5    5  -0.139881   0.283438  -0.052925
-    1SOL     H6    6  -0.143317   0.298511   0.097674
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.145360   0.137652  -0.318357
-    1SOL     H5    5  -0.098682   0.054258  -0.312978
-    1SOL     H6    6  -0.237381   0.113078  -0.327873
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.083777  -0.046231  -0.002546
-    1SOL     O4    4   0.253490  -0.102302  -0.046097
-    1SOL     H5    5   0.217512  -0.123229  -0.132295
-    1SOL     H6    6   0.276964  -0.009676  -0.051733
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012028   0.051144  -0.080012
-    0SOL     H3    3  -0.032677  -0.084699  -0.030342
-    1SOL     O4    4   0.089194   0.213226  -0.173856
-    1SOL     H5    5   0.071127   0.303673  -0.148259
-    1SOL     H6    6   0.098869   0.216693  -0.269023
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060852  -0.053165   0.051310
-    0SOL     H3    3   0.067687  -0.061512  -0.028231
-    1SOL     O4    4  -0.220795  -0.072312   0.113453
-    1SOL     H5    5  -0.277715  -0.049507   0.039952
-    1SOL     H6    6  -0.224455  -0.167858   0.117896
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017614   0.050385   0.079457
-    0SOL     H3    3  -0.014094   0.066151  -0.067733
-    1SOL     O4    4   0.016569   0.093944   0.289920
-    1SOL     H5    5   0.078040   0.081567   0.362241
-    1SOL     H6    6  -0.064486   0.052883   0.320024
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076959   0.056827  -0.003212
-    0SOL     H3    3   0.029723  -0.082809  -0.037703
-    1SOL     O4    4  -0.092780  -0.045057   0.284443
-    1SOL     H5    5  -0.061482  -0.075481   0.199255
-    1SOL     H6    6  -0.122858   0.044390   0.268414
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016510   0.059698   0.072979
-    0SOL     H3    3   0.083600  -0.004927  -0.046359
-    1SOL     O4    4   0.269627   0.043227  -0.074012
-    1SOL     H5    5   0.304224   0.098084  -0.003612
-    1SOL     H6    6   0.328484   0.058974  -0.147837
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006034  -0.055254  -0.077929
-    0SOL     H3    3   0.066135  -0.035216   0.059568
-    1SOL     O4    4  -0.205871   0.298080  -0.047695
-    1SOL     H5    5  -0.204225   0.288266  -0.142897
-    1SOL     H6    6  -0.114695   0.286795  -0.020826
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.059971   0.043983   0.060260
-    0SOL     H3    3   0.057084  -0.041245  -0.064828
-    1SOL     O4    4   0.167903  -0.129574  -0.174975
-    1SOL     H5    5   0.194281  -0.193760  -0.109045
-    1SOL     H6    6   0.118518  -0.180275  -0.239418
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022049   0.089295   0.026505
-    0SOL     H3    3   0.084547  -0.044042  -0.008627
-    1SOL     O4    4   0.007174   0.245336   0.058073
-    1SOL     H5    5   0.069710   0.311476   0.087688
-    1SOL     H6    6  -0.074508   0.267906   0.102581
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.169882   0.253528   0.080794
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-    6
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-    1SOL     O4    4   0.005022   0.363949  -0.214034
-    1SOL     H5    5  -0.047140   0.380197  -0.135437
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-    6
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-    1SOL     O4    4   0.232493   0.038933  -0.134926
-    1SOL     H5    5   0.308594   0.021943  -0.079408
-    1SOL     H6    6   0.238871  -0.026038  -0.204929
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-    6
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-    0SOL     H2    2   0.088017  -0.006506   0.037053
-    0SOL     H3    3   0.010215   0.056934  -0.076266
-    1SOL     O4    4   0.092029  -0.237069   0.204406
-    1SOL     H5    5   0.167132  -0.189501   0.168920
-    1SOL     H6    6   0.079157  -0.199930   0.291683
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-    6
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-    0SOL     H2    2  -0.089562   0.008973   0.032565
-    0SOL     H3    3   0.005302   0.061726  -0.072966
-    1SOL     O4    4   0.143676  -0.015784   0.243035
-    1SOL     H5    5   0.213120  -0.079414   0.260094
-    1SOL     H6    6   0.122636  -0.027483   0.150391
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/427/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2  -0.079668  -0.051908   0.010996
-    0SOL     H3    3  -0.011566   0.074500   0.058977
-    1SOL     O4    4  -0.284175   0.099909   0.031535
-    1SOL     H5    5  -0.309309   0.079381   0.121586
-    1SOL     H6    6  -0.335790   0.039729  -0.022100
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-    6
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-    0SOL     H3    3   0.065444  -0.015032   0.068216
-    1SOL     O4    4  -0.237872  -0.152716  -0.013610
-    1SOL     H5    5  -0.218196  -0.245760  -0.024467
-    1SOL     H6    6  -0.153284  -0.108997  -0.023404
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-    6
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-    0SOL     H2    2   0.040709   0.003184   0.086573
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-    1SOL     O4    4   0.060333  -0.325247   0.103823
-    1SOL     H5    5   0.049879  -0.272453   0.182980
-    1SOL     H6    6   0.154823  -0.327328   0.088670
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-    6
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-    0SOL     H2    2   0.035007   0.065552  -0.060330
-    0SOL     H3    3   0.068957  -0.011732   0.065342
-    1SOL     O4    4   0.160656   0.285802   0.161961
-    1SOL     H5    5   0.211778   0.259113   0.085564
-    1SOL     H6    6   0.177910   0.217982   0.227268
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.037329  -0.069736  -0.053905
-    0SOL     H3    3  -0.094410  -0.015563  -0.002630
-    1SOL     O4    4  -0.271955  -0.012345  -0.000184
-    1SOL     H5    5  -0.301108  -0.100306   0.023801
-    1SOL     H6    6  -0.314381   0.045190   0.063472
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.046993  -0.032022  -0.076997
-    0SOL     H3    3  -0.023963  -0.060950   0.069808
-    1SOL     O4    4  -0.004685  -0.191659   0.169469
-    1SOL     H5    5   0.065885  -0.235256   0.121704
-    1SOL     H6    6  -0.063838  -0.262509   0.194834
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077235   0.056038   0.007539
-    0SOL     H3    3   0.038052  -0.000364   0.087831
-    1SOL     O4    4   0.076451   0.264563  -0.093500
-    1SOL     H5    5   0.026410   0.250456  -0.173870
-    1SOL     H6    6   0.083318   0.177671  -0.053941
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.032559  -0.078887  -0.043348
-    0SOL     H3    3   0.025368   0.058070  -0.071740
-    1SOL     O4    4   0.227274   0.037033   0.159484
-    1SOL     H5    5   0.157026   0.005471   0.102639
-    1SOL     H6    6   0.307481   0.020627   0.109886
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.027305  -0.072232   0.056562
-    0SOL     H3    3   0.093988   0.008718   0.015892
-    1SOL     O4    4   0.265111  -0.005732   0.029979
-    1SOL     H5    5   0.279294   0.075697  -0.018295
-    1SOL     H6    6   0.301349  -0.073843  -0.026679
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/436/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061979   0.068981  -0.023718
-    0SOL     H3    3   0.052150  -0.013642  -0.079099
-    1SOL     O4    4   0.162375   0.286454   0.057132
-    1SOL     H5    5   0.120225   0.231077   0.122852
-    1SOL     H6    6   0.100813   0.287823  -0.016151
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/437/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077063  -0.049233   0.028281
-    0SOL     H3    3  -0.070453  -0.030902   0.056954
-    1SOL     O4    4   0.128346  -0.277519  -0.065823
-    1SOL     H5    5   0.120742  -0.326416  -0.147759
-    1SOL     H6    6   0.222429  -0.274168  -0.048518
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/438/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017797  -0.092997   0.014042
-    0SOL     H3    3  -0.043666   0.044065   0.072896
-    1SOL     O4    4  -0.045009   0.200896   0.191018
-    1SOL     H5    5   0.001936   0.267105   0.140275
-    1SOL     H6    6   0.020500   0.166131   0.251534
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/439/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.028130   0.060746  -0.068417
-    0SOL     H3    3   0.074694  -0.005246   0.059629
-    1SOL     O4    4   0.130862  -0.060010   0.263718
-    1SOL     H5    5   0.124983  -0.146721   0.223605
-    1SOL     H6    6   0.219496  -0.056153   0.299657
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/440/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.019317   0.056351   0.074925
-    0SOL     H3    3  -0.091878   0.017641  -0.020239
-    1SOL     O4    4  -0.033892  -0.258543   0.045746
-    1SOL     H5    5   0.051062  -0.290496   0.076146
-    1SOL     H6    6  -0.017037  -0.168623   0.017593
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/441/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095044   0.011157  -0.002133
-    0SOL     H3    3   0.012999  -0.094816   0.001803
-    1SOL     O4    4   0.029232  -0.269380   0.084652
-    1SOL     H5    5   0.012207  -0.288797   0.176823
-    1SOL     H6    6  -0.018755  -0.336871   0.036647
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/442/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.031614  -0.066801   0.060831
-    0SOL     H3    3  -0.079435   0.036340  -0.039139
-    1SOL     O4    4   0.210359  -0.167049  -0.133251
-    1SOL     H5    5   0.293212  -0.150689  -0.178308
-    1SOL     H6    6   0.180949  -0.080479  -0.104914
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007286   0.042514   0.085450
-    0SOL     H3    3  -0.090032   0.017036  -0.027682
-    1SOL     O4    4   0.064241   0.074548   0.264694
-    1SOL     H5    5  -0.021636   0.051973   0.300440
-    1SOL     H6    6   0.125382   0.017529   0.311308
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077446  -0.015212  -0.054157
-    0SOL     H3    3   0.033510   0.084738  -0.029306
-    1SOL     O4    4   0.102323   0.112869  -0.324894
-    1SOL     H5    5   0.087778   0.192097  -0.376602
-    1SOL     H6    6   0.030111   0.054862  -0.349037
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071371   0.053415  -0.034862
-    0SOL     H3    3   0.017307  -0.004766   0.094022
-    1SOL     O4    4  -0.105591  -0.216245  -0.160301
-    1SOL     H5    5  -0.085052  -0.149641  -0.094694
-    1SOL     H6    6  -0.200976  -0.223835  -0.157747
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045651   0.048906   0.068458
-    0SOL     H3    3  -0.067986  -0.020651  -0.064139
-    1SOL     O4    4  -0.051999   0.133949   0.196712
-    1SOL     H5    5  -0.072540   0.077366   0.271134
-    1SOL     H6    6   0.042629   0.147315   0.202126
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074512   0.055441   0.023165
-    0SOL     H3    3   0.065600   0.060901  -0.033913
-    1SOL     O4    4  -0.165568   0.148637   0.145103
-    1SOL     H5    5  -0.125763   0.086850   0.206424
-    1SOL     H6    6  -0.251578   0.167604   0.182584
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052163   0.033240  -0.073051
-    0SOL     H3    3   0.083669   0.045902  -0.007412
-    1SOL     O4    4   0.162183   0.188852   0.142433
-    1SOL     H5    5   0.076048   0.227749   0.127267
-    1SOL     H6    6   0.151630   0.137700   0.222648
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047771   0.082797  -0.004986
-    0SOL     H3    3   0.063032   0.012891   0.070874
-    1SOL     O4    4  -0.090057  -0.201946  -0.187298
-    1SOL     H5    5  -0.114674  -0.174096  -0.275506
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010282   0.063131  -0.071211
-    0SOL     H3    3   0.062811   0.040954   0.059497
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-    1SOL     H5    5   0.032052  -0.209782   0.215987
-    1SOL     H6    6   0.037160  -0.163333   0.071989
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.062827  -0.066115  -0.029048
-    0SOL     H3    3  -0.081480  -0.023081  -0.044616
-    1SOL     O4    4  -0.044744  -0.223084   0.206976
-    1SOL     H5    5  -0.017129  -0.308531   0.240120
-    1SOL     H6    6   0.036407  -0.172877   0.199490
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072354  -0.062666   0.000555
-    0SOL     H3    3  -0.063382  -0.035973   0.062057
-    1SOL     O4    4  -0.173666   0.050917  -0.228948
-    1SOL     H5    5  -0.238564   0.088946  -0.169751
-    1SOL     H6    6  -0.093720   0.045446  -0.176594
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.057112   0.076545   0.006436
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-    1SOL     O4    4   0.108231   0.141700   0.252132
-    1SOL     H5    5   0.200453   0.142022   0.226493
-    1SOL     H6    6   0.099746   0.066127   0.310261
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080363   0.049713  -0.015253
-    0SOL     H3    3  -0.050659   0.010995  -0.080468
-    1SOL     O4    4  -0.213240  -0.028698  -0.234376
-    1SOL     H5    5  -0.245159  -0.068436  -0.315397
-    1SOL     H6    6  -0.278809  -0.052134  -0.168697
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.037042  -0.038600   0.079374
-    0SOL     H3    3   0.052671   0.073505   0.031386
-    1SOL     O4    4  -0.060632  -0.291978  -0.028236
-    1SOL     H5    5  -0.079271  -0.378703  -0.064204
-    1SOL     H6    6  -0.141707  -0.266279   0.015681
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.038366   0.025488   0.083909
-    0SOL     H3    3  -0.031692  -0.089100  -0.014803
-    1SOL     O4    4  -0.095681  -0.254789  -0.045395
-    1SOL     H5    5  -0.148328  -0.217683  -0.116204
-    1SOL     H6    6  -0.013798  -0.280915  -0.087525
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.037670  -0.014782  -0.086746
-    0SOL     H3    3  -0.022102   0.090826   0.020603
-    1SOL     O4    4   0.142437  -0.211110   0.050000
-    1SOL     H5    5   0.146429  -0.236891   0.142096
-    1SOL     H6    6   0.097754  -0.126462   0.050689
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001257   0.061947  -0.072961
-    0SOL     H3    3   0.005894  -0.085993  -0.041627
-    1SOL     O4    4   0.218899  -0.139031   0.139690
-    1SOL     H5    5   0.243994  -0.085082   0.214670
-    1SOL     H6    6   0.141809  -0.095377   0.103444
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017593   0.010278   0.093526
-    0SOL     H3    3   0.086307  -0.012684  -0.039403
-    1SOL     O4    4   0.079355  -0.019662   0.292571
-    1SOL     H5    5   0.095677   0.067578   0.328419
-    1SOL     H6    6   0.116258  -0.079566   0.357471
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.060701  -0.283533   0.042857
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4  -0.002480   0.283996  -0.008471
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-    6
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-    1SOL     O4    4   0.093571  -0.033295   0.289767
-    1SOL     H5    5   0.074585   0.032671   0.356478
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.173995   0.189239  -0.123749
-    1SOL     H5    5  -0.129930   0.272612  -0.140164
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    1SOL     O4    4  -0.266645   0.098964  -0.120151
-    1SOL     H5    5  -0.192743   0.039460  -0.132802
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.152559  -0.180613  -0.200362
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-    6
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-    1SOL     H5    5   0.193242  -0.275250  -0.204759
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.048918   0.270148  -0.372999
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.134758  -0.277149   0.016846
-    1SOL     H6    6   0.231355  -0.272945  -0.099646
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-    6
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-    1SOL     O4    4   0.043076   0.035345  -0.271890
-    1SOL     H5    5   0.085642   0.103570  -0.323811
-    1SOL     H6    6  -0.031224   0.007346  -0.325350
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.068315   0.014000   0.065570
-    1SOL     O4    4  -0.274455   0.052241   0.020745
-    1SOL     H5    5  -0.296606  -0.007589   0.092104
-    1SOL     H6    6  -0.179393   0.045122   0.012094
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-    6
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-    0SOL     H2    2  -0.094001   0.014403   0.010891
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-    1SOL     O4    4   0.074694   0.272990   0.149200
-    1SOL     H5    5   0.042750   0.263949   0.238978
-    1SOL     H6    6  -0.003643   0.292260   0.097680
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-    6
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-    0SOL     H3    3   0.061166  -0.029615   0.067409
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-    1SOL     H5    5  -0.069923   0.147782   0.087460
-    1SOL     H6    6  -0.198092   0.177879   0.162198
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-    6
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-    0SOL     H3    3  -0.050801  -0.072073   0.037243
-    1SOL     O4    4   0.205482  -0.183699   0.169949
-    1SOL     H5    5   0.195727  -0.174554   0.075167
-    1SOL     H6    6   0.148648  -0.257207   0.192943
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014499   0.086461   0.038427
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-    1SOL     O4    4   0.201363   0.098763   0.269143
-    1SOL     H5    5   0.199786   0.191465   0.292937
-    1SOL     H6    6   0.118382   0.064143   0.301975
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.077729   0.041366  -0.037541
-    1SOL     O4    4   0.161166   0.159805   0.138147
-    1SOL     H5    5   0.101907   0.101756   0.090387
-    1SOL     H6    6   0.205046   0.102702   0.201204
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/505/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057160   0.058317   0.049942
-    0SOL     H3    3  -0.058197  -0.042451  -0.063035
-    1SOL     O4    4  -0.024835   0.223450  -0.212662
-    1SOL     H5    5  -0.016196   0.162835  -0.139085
-    1SOL     H6    6  -0.117566   0.219686  -0.236096
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/506/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018201  -0.080985   0.047671
-    0SOL     H3    3   0.078963   0.015621  -0.051798
-    1SOL     O4    4   0.245552   0.096171  -0.090137
-    1SOL     H5    5   0.301066   0.054645  -0.156138
-    1SOL     H6    6   0.293946   0.085937  -0.008188
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067045   0.006982  -0.067960
-    0SOL     H3    3  -0.008826  -0.094055   0.015431
-    1SOL     O4    4   0.185934   0.068900  -0.178337
-    1SOL     H5    5   0.170937   0.162852  -0.188844
-    1SOL     H6    6   0.262974   0.063066  -0.121829
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089032  -0.015081   0.031753
-    0SOL     H3    3   0.037673  -0.087600  -0.008317
-    1SOL     O4    4   0.025649  -0.279768   0.001069
-    1SOL     H5    5   0.031048  -0.310146   0.091679
-    1SOL     H6    6   0.106426  -0.311120  -0.039607
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089717  -0.032569   0.007237
-    0SOL     H3    3  -0.004294   0.067258  -0.067973
-    1SOL     O4    4   0.216574  -0.153406  -0.025362
-    1SOL     H5    5   0.134648  -0.103933  -0.027027
-    1SOL     H6    6   0.264574  -0.117835   0.049425
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/510/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.026309   0.022779   0.089170
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-    1SOL     O4    4   0.226406   0.160275   0.051108
-    1SOL     H5    5   0.149457   0.104256   0.040955
-    1SOL     H6    6   0.300778   0.100485   0.043599
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/511/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.009280   0.065591   0.069094
-    0SOL     H3    3   0.059568   0.040087  -0.063301
-    1SOL     O4    4  -0.111913   0.137557   0.216190
-    1SOL     H5    5  -0.121884   0.086593   0.296599
-    1SOL     H6    6  -0.200607   0.166738   0.195118
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-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/512/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.040281   0.038147   0.078004
-    0SOL     H3    3   0.038939  -0.087167  -0.006930
-    1SOL     O4    4   0.133750   0.190022  -0.152951
-    1SOL     H5    5   0.110327   0.282037  -0.140834
-    1SOL     H6    6   0.063948   0.141495  -0.108960
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.059883   0.049700   0.055734
-    0SOL     H3    3  -0.023890  -0.091514   0.014723
-    1SOL     O4    4   0.172095   0.316741  -0.066046
-    1SOL     H5    5   0.085184   0.314653  -0.025992
-    1SOL     H6    6   0.228483   0.271362  -0.003408
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/IIIB-Mc/514/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042433  -0.081257  -0.027550
-    0SOL     H3    3   0.023456   0.043766  -0.081833
-    1SOL     O4    4  -0.166437   0.192575   0.066477
-    1SOL     H5    5  -0.104120   0.126199   0.036927
-    1SOL     H6    6  -0.237451   0.189042   0.002392
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045091  -0.073315  -0.041881
-    0SOL     H3    3   0.065336   0.027814  -0.064186
-    1SOL     O4    4   0.178468   0.070564  -0.191097
-    1SOL     H5    5   0.226246  -0.001016  -0.233000
-    1SOL     H6    6   0.103930   0.086757  -0.248927
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012469  -0.056880   0.075970
-    0SOL     H3    3  -0.068416   0.066431   0.008271
-    1SOL     O4    4  -0.137329   0.222384   0.039983
-    1SOL     H5    5  -0.088801   0.285701   0.092882
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.067014  -0.008828   0.067775
-    1SOL     O4    4   0.164419   0.096423  -0.259914
-    1SOL     H5    5   0.162819   0.190501  -0.277492
-    1SOL     H6    6   0.132959   0.088293  -0.169877
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.004874  -0.070891  -0.064133
-    1SOL     O4    4   0.044576  -0.238832  -0.128755
-    1SOL     H5    5  -0.022010  -0.209743  -0.191063
-    1SOL     H6    6   0.127426  -0.228359  -0.175537
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.046419  -0.038486   0.074340
-    1SOL     O4    4   0.249002  -0.049357   0.070607
-    1SOL     H5    5   0.265660  -0.016705   0.159030
-    1SOL     H6    6   0.161006  -0.018055   0.049647
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001535  -0.089628   0.033566
-    0SOL     H3    3  -0.077051   0.003072  -0.056709
-    1SOL     O4    4  -0.249453  -0.077127  -0.145186
-    1SOL     H5    5  -0.327803  -0.048254  -0.098388
-    1SOL     H6    6  -0.246089  -0.021463  -0.222984
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017863  -0.059387  -0.072914
-    0SOL     H3    3  -0.031160   0.085277  -0.030318
-    1SOL     O4    4   0.280844  -0.028479  -0.144537
-    1SOL     H5    5   0.207354  -0.077990  -0.180734
-    1SOL     H6    6   0.240909   0.050442  -0.107944
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078786   0.034331  -0.042149
-    0SOL     H3    3  -0.014699   0.014167   0.093518
-    1SOL     O4    4   0.102104  -0.229862  -0.091330
-    1SOL     H5    5   0.067278  -0.246601  -0.178904
-    1SOL     H6    6   0.045507  -0.161392  -0.055679
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086864   0.000576  -0.040208
-    0SOL     H3    3   0.015971   0.021314   0.091940
-    1SOL     O4    4  -0.258130   0.005009  -0.070068
-    1SOL     H5    5  -0.174271  -0.041119  -0.071574
-    1SOL     H6    6  -0.240964   0.084359  -0.019362
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.013678  -0.038086   0.086745
-    1SOL     O4    4   0.242073  -0.003619  -0.193105
-    1SOL     H5    5   0.198262   0.040064  -0.120066
-    1SOL     H6    6   0.185336   0.012823  -0.268423
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052640  -0.044969   0.066099
-    0SOL     H3    3  -0.043538  -0.070443  -0.048005
-    1SOL     O4    4   0.155202  -0.215928   0.100241
-    1SOL     H5    5   0.173787  -0.255374   0.015030
-    1SOL     H6    6   0.240865  -0.189068   0.133449
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.095085  -0.001816  -0.010855
-    0SOL     H3    3  -0.030925  -0.077902  -0.046231
-    1SOL     O4    4  -0.175199  -0.168499  -0.094561
-    1SOL     H5    5  -0.155226  -0.194108  -0.184603
-    1SOL     H6    6  -0.270830  -0.167630  -0.090509
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.042542  -0.015914   0.084257
-    0SOL     H3    3   0.068634   0.038203  -0.054702
-    1SOL     O4    4   0.114702  -0.074912   0.247810
-    1SOL     H5    5   0.044737  -0.139907   0.254359
-    1SOL     H6    6   0.192995  -0.120777   0.278289
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051820   0.062959  -0.050131
-    0SOL     H3    3  -0.057170   0.054011   0.054559
-    1SOL     O4    4  -0.275392   0.178301  -0.119657
-    1SOL     H5    5  -0.331386   0.197709  -0.194826
-    1SOL     H6    6  -0.194134   0.145429  -0.158113
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.033628   0.046167  -0.076812
-    0SOL     H3    3  -0.015444  -0.089381  -0.030576
-    1SOL     O4    4   0.339242   0.140570   0.140002
-    1SOL     H5    5   0.280916   0.155663   0.065620
-    1SOL     H6    6   0.347848   0.045359   0.144817
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079040   0.053891   0.003293
-    0SOL     H3    3   0.004200  -0.041725   0.086045
-    1SOL     O4    4  -0.230040   0.122568  -0.065105
-    1SOL     H5    5  -0.301143   0.075070  -0.022085
-    1SOL     H6    6  -0.234546   0.094808  -0.156600
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.044173   0.010495   0.084267
-    0SOL     H3    3   0.069363   0.065957   0.000885
-    1SOL     O4    4  -0.098959  -0.088582   0.247782
-    1SOL     H5    5  -0.080389  -0.065489   0.338799
-    1SOL     H6    6  -0.192763  -0.107594   0.246505
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003635   0.093673   0.019351
-    0SOL     H3    3  -0.088104  -0.031961   0.019455
-    1SOL     O4    4  -0.253825  -0.141914   0.041173
-    1SOL     H5    5  -0.315888  -0.104967   0.103986
-    1SOL     H6    6  -0.299558  -0.138099  -0.042829
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.038762  -0.011194  -0.086802
-    0SOL     H3    3  -0.049281  -0.080701   0.014865
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.162900   0.030362  -0.267728
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.227455  -0.153445  -0.151050
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-    6
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-    6
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-    1SOL     H5    5  -0.101149  -0.100433  -0.144126
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.086555  -0.028739  -0.029062
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-    1SOL     H5    5   0.122826  -0.145744  -0.045474
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    1SOL     H6    6   0.169773   0.237452  -0.006088
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.036804  -0.349474  -0.050011
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071426  -0.051410   0.037651
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H6    6   0.182325   0.108191   0.270469
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-    6
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-    6
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-    6
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-    6
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-    0SOL     H2    2   0.053698   0.065107  -0.045166
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-    1SOL     O4    4  -0.098471   0.314514   0.127225
-    1SOL     H5    5  -0.137731   0.273492   0.050166
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-    6
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-    1SOL     O4    4  -0.153515   0.148372  -0.214717
-    1SOL     H5    5  -0.089789   0.213804  -0.243353
-    1SOL     H6    6  -0.195170   0.187450  -0.137905
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-    6
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-    1SOL     O4    4   0.024540   0.249923  -0.314605
-    1SOL     H5    5   0.060054   0.319697  -0.259536
-    1SOL     H6    6  -0.024681   0.295790  -0.382692
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-    6
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-    1SOL     H5    5   0.180552   0.252097   0.123037
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-    6
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-    1SOL     H5    5  -0.237718  -0.226149  -0.169842
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-    6
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-    1SOL     O4    4   0.045487  -0.373474   0.015113
-    1SOL     H5    5  -0.017520  -0.362713   0.086364
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-    6
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-    1SOL     H5    5  -0.021152  -0.161503  -0.246550
-    1SOL     H6    6  -0.069263  -0.087191  -0.123741
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-    6
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-    0SOL     H2    2   0.056475   0.074174  -0.021704
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-    1SOL     H5    5  -0.192819  -0.011249   0.236548
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052118   0.058246   0.055258
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-    1SOL     H5    5   0.168322   0.279121   0.090904
-    1SOL     H6    6   0.017781   0.293806   0.084524
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-    6
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-    1SOL     H5    5  -0.114217   0.293777  -0.123369
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H6    6   0.121581   0.127185   0.094541
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    1SOL     O4    4   0.185667   0.176377  -0.012423
-    1SOL     H5    5   0.200744   0.267012   0.014416
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073037   0.059863   0.015632
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-    1SOL     O4    4   0.105677  -0.216230   0.125216
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.159317   0.081009  -0.202159
-    1SOL     H5    5   0.133598   0.011116  -0.262290
-    1SOL     H6    6   0.248697   0.103339  -0.228139
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.050998  -0.038820   0.071096
-    0SOL     H3    3   0.075474   0.039678   0.043493
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-    1SOL     H5    5   0.124829  -0.151065  -0.034350
-    1SOL     H6    6   0.221201  -0.264618  -0.007204
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071811   0.024538   0.058338
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-    1SOL     O4    4  -0.175657   0.089284   0.182549
-    1SOL     H5    5  -0.249745   0.143955   0.156390
-    1SOL     H6    6  -0.106269   0.151604   0.204088
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071943   0.018498   0.060369
-    0SOL     H3    3  -0.043009  -0.020608  -0.082993
-    1SOL     O4    4  -0.086648  -0.097117  -0.252747
-    1SOL     H5    5  -0.093551  -0.055702  -0.338767
-    1SOL     H6    6  -0.025115  -0.169281  -0.265724
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-    6
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-    0SOL     H2    2   0.026420   0.046259  -0.079526
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-    6
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-    1SOL     H6    6   0.238622  -0.046211   0.194552
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-    6
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-    6
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-    0SOL     H2    2   0.039291   0.076304  -0.042383
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-    1SOL     O4    4  -0.223004   0.025454   0.179148
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-    1SOL     H6    6  -0.264463  -0.032874   0.115576
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-    6
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-    6
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-    0SOL     H3    3   0.065858   0.054534   0.043025
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-    1SOL     H6    6   0.104732  -0.147014  -0.266588
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-    6
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-    0SOL     H2    2  -0.008991   0.065682  -0.069046
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-    1SOL     H5    5  -0.049074   0.293859  -0.138888
-    1SOL     H6    6  -0.166386   0.235997  -0.062673
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-    6
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-    1SOL     H6    6   0.085525  -0.123805   0.086539
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-    6
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-    0SOL     H3    3  -0.070952   0.049849  -0.040536
-    1SOL     O4    4  -0.211961  -0.150780   0.040292
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-    1SOL     H6    6  -0.127737  -0.105355   0.037969
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078561   0.053734  -0.010153
-    0SOL     H3    3   0.072591   0.060494  -0.015276
-    1SOL     O4    4   0.189516   0.174506   0.006746
-    1SOL     H5    5   0.164049   0.256187  -0.036173
-    1SOL     H6    6   0.161486   0.185393   0.097620
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-    6
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-    0SOL     H2    2   0.017184  -0.042514   0.084021
-    0SOL     H3    3   0.083892   0.038815  -0.024858
-    1SOL     O4    4   0.081327  -0.106282   0.223849
-    1SOL     H5    5   0.136268  -0.052328   0.280705
-    1SOL     H6    6   0.132805  -0.185598   0.208970
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078453  -0.017811   0.051868
-    0SOL     H3    3  -0.028135   0.064795  -0.064594
-    1SOL     O4    4   0.158016   0.176535   0.138036
-    1SOL     H5    5   0.098550   0.152727   0.066907
-    1SOL     H6    6   0.172644   0.094704   0.185492
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084882  -0.044151  -0.002823
-    0SOL     H3    3   0.028507   0.003062  -0.091325
-    1SOL     O4    4  -0.205369  -0.164530   0.029428
-    1SOL     H5    5  -0.277515  -0.143254   0.088627
-    1SOL     H6    6  -0.248126  -0.197080  -0.049785
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-    6
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-    0SOL     H2    2   0.056894   0.070920  -0.029928
-    0SOL     H3    3  -0.051793  -0.023350  -0.077036
-    1SOL     O4    4  -0.157225  -0.152383  -0.159929
-    1SOL     H5    5  -0.232937  -0.187496  -0.113055
-    1SOL     H6    6  -0.190953  -0.130047  -0.246681
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-    6
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-    0SOL     H2    2  -0.047549  -0.045353   0.069602
-    0SOL     H3    3   0.056084   0.062454   0.046005
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-    1SOL     H5    5  -0.148011  -0.009095   0.270911
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.056430   0.077317   0.000266
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-    1SOL     H5    5  -0.184344  -0.182079   0.158589
-    1SOL     H6    6  -0.334430  -0.193167   0.142154
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-    6
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-    0SOL     H2    2  -0.024276   0.076536  -0.052109
-    0SOL     H3    3  -0.043673   0.013402   0.084115
-    1SOL     O4    4   0.182990  -0.192899  -0.032240
-    1SOL     H5    5   0.234259  -0.166525  -0.108648
-    1SOL     H6    6   0.129543  -0.116227  -0.011573
-  3.000000   3.000000   3.000000
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-    6
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-    0SOL     H2    2  -0.051322  -0.033280  -0.073626
-    0SOL     H3    3   0.039113  -0.078065   0.039223
-    1SOL     O4    4   0.198890   0.222001  -0.076144
-    1SOL     H5    5   0.128665   0.171973  -0.034574
-    1SOL     H6    6   0.237649   0.272758  -0.004844
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068071  -0.057885  -0.034321
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-    1SOL     O4    4   0.138874   0.172039   0.208453
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-    1SOL     H6    6   0.206540   0.131015   0.262312
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-    6
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-    0SOL     H2    2   0.061907   0.024730  -0.068689
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-    1SOL     O4    4   0.148971   0.049458  -0.230315
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-    6
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-    1SOL     H6    6   0.315609   0.250118  -0.010120
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-    6
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-    0SOL     H3    3   0.040525   0.054238   0.067663
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-    6
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-    1SOL     H5    5   0.312556   0.283815  -0.070975
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-    6
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-    0SOL     H2    2   0.072653   0.061687   0.008864
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-    1SOL     H5    5   0.223282   0.220577   0.099972
-    1SOL     H6    6   0.301324   0.104336   0.042385
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-    6
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-    1SOL     H5    5  -0.152859   0.254453  -0.090076
-    1SOL     H6    6  -0.044302   0.150076  -0.074590
-  3.000000   3.000000   3.000000
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-    6
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-    0SOL     H2    2  -0.048163  -0.076046   0.032551
-    0SOL     H3    3   0.039538   0.038618   0.078152
-    1SOL     O4    4   0.194294  -0.222608   0.156143
-    1SOL     H5    5   0.242740  -0.289358   0.204720
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-  3.000000   3.000000   3.000000
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-    6
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-    0SOL     H2    2   0.085764  -0.040579   0.012655
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-    1SOL     H5    5  -0.134934   0.063954   0.276968
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.210373  -0.193058  -0.082717
-    1SOL     H5    5  -0.290028  -0.140945  -0.092792
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-    6
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-    0SOL     H2    2   0.047080   0.005200  -0.083179
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-    1SOL     O4    4   0.189240  -0.189400   0.022536
-    1SOL     H5    5   0.118655  -0.128683   0.044748
-    1SOL     H6    6   0.174789  -0.210271  -0.069756
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067059  -0.058095   0.035922
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-    1SOL     O4    4   0.196655  -0.187675   0.033988
-    1SOL     H5    5   0.225606  -0.241250   0.107838
-    1SOL     H6    6   0.192320  -0.248662  -0.039661
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060248   0.039256  -0.063178
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-    1SOL     H5    5   0.113450   0.136538  -0.247676
-    1SOL     H6    6   0.255175   0.122277  -0.196396
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.005887   0.067831  -0.067281
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-    1SOL     O4    4   0.244552   0.200854  -0.033592
-    1SOL     H5    5   0.197139   0.185000  -0.115219
-    1SOL     H6    6   0.176013   0.209784   0.032627
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.032075   0.085468   0.028789
-    0SOL     H3    3   0.069591   0.020295  -0.062510
-    1SOL     O4    4  -0.122325   0.210183   0.078402
-    1SOL     H5    5  -0.180519   0.147443   0.121290
-    1SOL     H6    6  -0.176444   0.250655   0.010611
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085637   0.027956   0.032359
-    0SOL     H3    3  -0.019496  -0.050557  -0.078906
-    1SOL     O4    4   0.244160   0.145521  -0.005471
-    1SOL     H5    5   0.159543   0.101071  -0.010616
-    1SOL     H6    6   0.305361   0.077455   0.022527
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.028855  -0.044938   0.079437
-    0SOL     H3    3  -0.082966   0.041018   0.024423
-    1SOL     O4    4   0.194260   0.192535   0.084904
-    1SOL     H5    5   0.136574   0.122113   0.055317
-    1SOL     H6    6   0.280495   0.151583   0.091885
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042974  -0.044447  -0.073076
-    0SOL     H3    3   0.043528  -0.070120   0.048486
-    1SOL     O4    4   0.155175   0.218574  -0.071350
-    1SOL     H5    5   0.102558   0.140935  -0.052219
-    1SOL     H6    6   0.227612   0.185918  -0.124724
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053731  -0.068380   0.039994
-    0SOL     H3    3  -0.046651  -0.044459  -0.070777
-    1SOL     O4    4   0.122818  -0.173479   0.170729
-    1SOL     H5    5   0.160595  -0.259981   0.154839
-    1SOL     H6    6   0.049014  -0.189934   0.229418
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H6    6   0.349726  -0.003607   0.125091
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-    6
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-    1SOL     H5    5  -0.122768   0.079736  -0.129773
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-    6
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-    0SOL     H3    3   0.058781  -0.056567   0.050073
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-    1SOL     H5    5   0.093021  -0.139067   0.238580
-    1SOL     H6    6   0.224699  -0.068301   0.214664
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-    6
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-    1SOL     H5    5  -0.149945   0.019824   0.121825
-    1SOL     H6    6  -0.279765   0.076801   0.174925
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-    6
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-    1SOL     H6    6   0.265320  -0.073549   0.166597
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H6    6   0.256804   0.055841   0.399792
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-    6
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-    1SOL     O4    4  -0.194825  -0.020884   0.168267
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-    6
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-    0SOL     H3    3   0.022479   0.010097  -0.092493
-    1SOL     O4    4  -0.205488  -0.193261   0.032849
-    1SOL     H5    5  -0.273885  -0.149456   0.083499
-    1SOL     H6    6  -0.247381  -0.214750  -0.050491
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-    6
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-    0SOL     H3    3   0.073947  -0.059888  -0.010378
-    1SOL     O4    4  -0.066563   0.139526  -0.211230
-    1SOL     H5    5  -0.059376   0.092341  -0.128259
-    1SOL     H6    6  -0.138149   0.201556  -0.197440
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045783  -0.061091  -0.057743
-    0SOL     H3    3   0.043529  -0.055876   0.064385
-    1SOL     O4    4  -0.201895   0.047306  -0.275323
-    1SOL     H5    5  -0.115876   0.088446  -0.266924
-    1SOL     H6    6  -0.187811  -0.025663  -0.335651
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055529  -0.048803   0.060804
-    0SOL     H3    3   0.060766   0.035116  -0.065089
-    1SOL     O4    4  -0.069826  -0.232293  -0.100870
-    1SOL     H5    5  -0.158888  -0.267337  -0.102375
-    1SOL     H6    6  -0.074711  -0.156850  -0.042161
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.068105  -0.058316  -0.033517
-    0SOL     H3    3   0.079067  -0.053925   0.001700
-    1SOL     O4    4   0.113040   0.102120  -0.312400
-    1SOL     H5    5   0.152748   0.125366  -0.228464
-    1SOL     H6    6   0.038768   0.046375  -0.289194
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.092792   0.019456   0.013167
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-    1SOL     H5    5   0.063577  -0.044155  -0.167944
-    1SOL     H6    6   0.166234  -0.154838  -0.179335
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.029590  -0.032921  -0.084871
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-    1SOL     H5    5   0.132674  -0.126648   0.087501
-    1SOL     H6    6   0.221843  -0.124233   0.209820
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.051906  -0.041683   0.068779
-    0SOL     H3    3  -0.048723   0.079383  -0.022059
-    1SOL     O4    4   0.287032  -0.230506  -0.068416
-    1SOL     H5    5   0.248333  -0.185717  -0.143640
-    1SOL     H6    6   0.216972  -0.232857  -0.003236
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.050878   0.040181   0.070422
-    0SOL     H3    3   0.064865   0.066318  -0.023596
-    1SOL     O4    4   0.187294   0.210228  -0.082419
-    1SOL     H5    5   0.257115   0.201885  -0.147363
-    1SOL     H6    6   0.125971   0.272778  -0.121011
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060770  -0.023446  -0.070140
-    0SOL     H3    3   0.055570   0.037317   0.068423
-    1SOL     O4    4   0.129926  -0.056389  -0.231377
-    1SOL     H5    5   0.222296  -0.081023  -0.236198
-    1SOL     H6    6   0.129197   0.037635  -0.249303
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063879  -0.065490  -0.028159
-    0SOL     H3    3   0.084461  -0.044599  -0.006295
-    1SOL     O4    4  -0.080430   0.232327  -0.102028
-    1SOL     H5    5  -0.019532   0.297462  -0.136827
-    1SOL     H6    6  -0.024572   0.168658  -0.057437
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.153546   0.180603  -0.228253
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    0SOL     H2    2   0.039310   0.067244   0.055636
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-    6
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-    1SOL     H5    5  -0.091786   0.287659   0.110227
-    1SOL     H6    6  -0.212647   0.197024   0.120064
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-    6
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-    1SOL     H5    5   0.171225   0.336723  -0.225811
-    1SOL     H6    6   0.037920   0.365194  -0.159946
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-    6
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-    0SOL     H3    3  -0.044581   0.082807   0.017827
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-    1SOL     H5    5   0.262658  -0.078995  -0.116360
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.041603   0.079845   0.032500
-    1SOL     O4    4  -0.177853   0.140808  -0.184978
-    1SOL     H5    5  -0.128856   0.065741  -0.151414
-    1SOL     H6    6  -0.229487   0.105345  -0.257356
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.061588   0.039188  -0.061916
-    0SOL     H3    3  -0.043783  -0.068862  -0.050034
-    1SOL     O4    4   0.169218   0.086295  -0.241177
-    1SOL     H5    5   0.251738   0.132522  -0.255873
-    1SOL     H6    6   0.102216   0.154425  -0.246783
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-    6
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-    1SOL     H5    5   0.218799   0.246192   0.089920
-    1SOL     H6    6   0.129848   0.134180   0.040321
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-    6
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-    1SOL     H5    5  -0.090768   0.071052  -0.309981
-    1SOL     H6    6  -0.154742   0.195399  -0.251979
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073133  -0.053764   0.030386
-    0SOL     H3    3   0.063437  -0.062946  -0.034291
-    1SOL     O4    4   0.225765  -0.129722  -0.057639
-    1SOL     H5    5   0.230668  -0.163186  -0.147184
-    1SOL     H6    6   0.301745  -0.072095  -0.049361
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039763   0.070748   0.050754
-    0SOL     H3    3   0.059069  -0.074344   0.012092
-    1SOL     O4    4   0.119836   0.216704   0.103566
-    1SOL     H5    5   0.066330   0.292699   0.126463
-    1SOL     H6    6   0.185612   0.251012   0.043078
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.041509  -0.072562   0.046627
-    0SOL     H3    3  -0.085345  -0.034240  -0.026575
-    1SOL     O4    4   0.168059   0.059541  -0.214215
-    1SOL     H5    5   0.228383  -0.013985  -0.225041
-    1SOL     H6    6   0.108150   0.031447  -0.145049
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069045  -0.052292  -0.040751
-    0SOL     H3    3  -0.059238  -0.064456   0.038713
-    1SOL     O4    4  -0.074888   0.234652  -0.151074
-    1SOL     H5    5  -0.060528   0.217496  -0.244142
-    1SOL     H6    6  -0.052655   0.152235  -0.107768
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081155   0.050702   0.002363
-    0SOL     H3    3  -0.018767  -0.077794   0.052519
-    1SOL     O4    4   0.088280  -0.239579   0.148829
-    1SOL     H5    5   0.031872  -0.314925   0.166248
-    1SOL     H6    6   0.155758  -0.273239   0.089871
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.038467  -0.087651  -0.000143
-    0SOL     H3    3   0.077752  -0.007824  -0.055279
-    1SOL     O4    4  -0.212598  -0.163903  -0.008501
-    1SOL     H5    5  -0.281753  -0.166856   0.057614
-    1SOL     H6    6  -0.235962  -0.089777  -0.064374
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.045883   0.080993   0.022297
-    0SOL     H3    3   0.047687   0.020774  -0.080354
-    1SOL     O4    4   0.170216   0.038387  -0.198039
-    1SOL     H5    5   0.221356   0.105468  -0.243284
-    1SOL     H6    6   0.123499  -0.007383  -0.267931
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044832  -0.079182  -0.029710
-    0SOL     H3    3  -0.064261  -0.031267   0.063681
-    1SOL     O4    4  -0.092513  -0.341586   0.079078
-    1SOL     H5    5  -0.103266  -0.291585   0.159990
-    1SOL     H6    6  -0.172379  -0.393926   0.072418
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.049265  -0.081401   0.010450
-    0SOL     H3    3   0.056264  -0.015569  -0.075857
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-    1SOL     H5    5   0.167942  -0.407552  -0.106320
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-    6
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-    1SOL     H6    6   0.164184  -0.393905   0.010919
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-    6
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-    1SOL     O4    4   0.247291  -0.238368  -0.080600
-    1SOL     H5    5   0.279743  -0.200555  -0.162328
-    1SOL     H6    6   0.245458  -0.164926  -0.019240
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.055202   0.055223  -0.055367
-    0SOL     H3    3  -0.057457  -0.027336   0.071510
-    1SOL     O4    4   0.114456   0.190885   0.151185
-    1SOL     H5    5   0.099407   0.106659   0.108268
-    1SOL     H6    6   0.040357   0.245143   0.124211
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016335  -0.054019  -0.077314
-    0SOL     H3    3   0.079778   0.051878   0.010321
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-    1SOL     H5    5   0.328583  -0.192830  -0.252995
-    1SOL     H6    6   0.283500  -0.130072  -0.122811
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075949  -0.043261   0.039020
-    0SOL     H3    3   0.022291   0.069660   0.061748
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-    1SOL     H5    5  -0.077625  -0.222630   0.341105
-    1SOL     H6    6  -0.046331  -0.257202   0.197076
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063946  -0.017456  -0.069054
-    0SOL     H3    3  -0.050987   0.074123  -0.032686
-    1SOL     O4    4  -0.001975  -0.248820  -0.255786
-    1SOL     H5    5   0.079985  -0.225252  -0.299255
-    1SOL     H6    6   0.024959  -0.302535  -0.181278
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.016238   0.094229   0.004425
-    0SOL     H3    3   0.056242  -0.011087  -0.076656
-    1SOL     O4    4  -0.212467   0.052382  -0.243558
-    1SOL     H5    5  -0.130101   0.097639  -0.261724
-    1SOL     H6    6  -0.279816   0.109165  -0.281002
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047780   0.058165  -0.059129
-    0SOL     H3    3  -0.061603  -0.017870   0.071050
-    1SOL     O4    4   0.146914  -0.235454  -0.067598
-    1SOL     H5    5   0.097933  -0.160130  -0.034592
-    1SOL     H6    6   0.196855  -0.266561   0.007904
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039370   0.065482   0.057658
-    0SOL     H3    3  -0.078334  -0.029093   0.046687
-    1SOL     O4    4   0.218845  -0.168607  -0.009091
-    1SOL     H5    5   0.133795  -0.124750  -0.006763
-    1SOL     H6    6   0.275422  -0.114175   0.045668
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021568   0.052428  -0.077126
-    0SOL     H3    3  -0.065109  -0.070165   0.000296
-    1SOL     O4    4   0.195551  -0.212439   0.080290
-    1SOL     H5    5   0.284603  -0.177870   0.086386
-    1SOL     H6    6   0.143062  -0.138336   0.050027
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074813   0.028579   0.052427
-    0SOL     H3    3   0.057100  -0.045055   0.062225
-    1SOL     O4    4   0.172381  -0.121530   0.194333
-    1SOL     H5    5   0.225149  -0.194936   0.162877
-    1SOL     H6    6   0.235695  -0.061771   0.234116
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015719   0.078905   0.051858
-    0SOL     H3    3  -0.020517   0.032572  -0.087638
-    1SOL     O4    4  -0.071181   0.138396  -0.209964
-    1SOL     H5    5  -0.056003   0.075567  -0.280565
-    1SOL     H6    6   0.007292   0.193205  -0.209332
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081632   0.028513  -0.041055
-    0SOL     H3    3   0.026338  -0.031441   0.086487
-    1SOL     O4    4  -0.045059   0.289707  -0.221959
-    1SOL     H5    5  -0.054524   0.341115  -0.302146
-    1SOL     H6    6   0.029047   0.231650  -0.239279
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044048  -0.044233   0.072564
-    0SOL     H3    3  -0.054213  -0.067909  -0.040144
-    1SOL     O4    4  -0.106582  -0.202150  -0.167641
-    1SOL     H5    5  -0.176334  -0.263974  -0.145850
-    1SOL     H6    6  -0.115017  -0.188750  -0.262042
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095049   0.010112  -0.005084
-    0SOL     H3    3   0.033368   0.089512   0.006040
-    1SOL     O4    4  -0.238297   0.126356   0.022013
-    1SOL     H5    5  -0.315381   0.089402   0.065079
-    1SOL     H6    6  -0.190953   0.171328   0.092001
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048406   0.026534   0.078199
-    0SOL     H3    3  -0.025999   0.082378  -0.041234
-    1SOL     O4    4  -0.148560  -0.224123   0.073231
-    1SOL     H5    5  -0.098837  -0.146773   0.046645
-    1SOL     H6    6  -0.221133  -0.189354   0.125063
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.029188  -0.053065   0.074125
-    0SOL     H3    3  -0.066840   0.067970  -0.008651
-    1SOL     O4    4   0.243165   0.135233  -0.021532
-    1SOL     H5    5   0.203926   0.197669  -0.082560
-    1SOL     H6    6   0.175384   0.069000  -0.008071
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.055042   0.072728   0.029041
-    0SOL     H3    3   0.061441   0.039593  -0.061804
-    1SOL     O4    4  -0.100050  -0.231307  -0.123163
-    1SOL     H5    5  -0.085547  -0.154417  -0.068027
-    1SOL     H6    6  -0.075201  -0.202812  -0.211100
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.036459   0.087608  -0.012565
-    0SOL     H3    3   0.094389   0.014113   0.007338
-    1SOL     O4    4  -0.136076  -0.086296   0.238789
-    1SOL     H5    5  -0.071113  -0.035185   0.190521
-    1SOL     H6    6  -0.192340  -0.123741   0.171006
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020092   0.019095  -0.091619
-    0SOL     H3    3   0.060678  -0.073941  -0.003645
-    1SOL     O4    4  -0.173959  -0.195578  -0.052509
-    1SOL     H5    5  -0.264527  -0.165015  -0.047457
-    1SOL     H6    6  -0.123279  -0.128002  -0.007482
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060502   0.046959   0.057417
-    0SOL     H3    3   0.070503  -0.028911   0.057929
-    1SOL     O4    4  -0.326335   0.007679  -0.115874
-    1SOL     H5    5  -0.271285   0.035687  -0.189000
-    1SOL     H6    6  -0.382285  -0.060669  -0.152758
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.050528  -0.081285  -0.001372
-    0SOL     H3    3  -0.079365  -0.021898   0.048826
-    1SOL     O4    4   0.151115  -0.215328  -0.070564
-    1SOL     H5    5   0.217223  -0.187205  -0.133819
-    1SOL     H6    6   0.106895  -0.288784  -0.113121
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.062911   0.018361  -0.069766
-    0SOL     H3    3  -0.068956  -0.050881  -0.042645
-    1SOL     O4    4  -0.199067   0.177630   0.116254
-    1SOL     H5    5  -0.179794   0.090924   0.080577
-    1SOL     H6    6  -0.267129   0.162053   0.181731
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060882  -0.058113   0.045591
-    0SOL     H3    3   0.048888   0.081433  -0.011872
-    1SOL     O4    4  -0.108697   0.330049   0.012692
-    1SOL     H5    5  -0.137529   0.312584  -0.076896
-    1SOL     H6    6  -0.035336   0.390748   0.002890
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.085672   0.040001  -0.014917
-    0SOL     H3    3  -0.010800  -0.061387  -0.072645
-    1SOL     O4    4  -0.191071  -0.036517   0.193338
-    1SOL     H5    5  -0.239645  -0.113480   0.163682
-    1SOL     H6    6  -0.134187  -0.014181   0.119665
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.043359  -0.041926   0.074327
-    0SOL     H3    3   0.068711   0.008723  -0.066069
-    1SOL     O4    4   0.158855  -0.113690   0.193140
-    1SOL     H5    5   0.227521  -0.148446   0.136224
-    1SOL     H6    6   0.205305  -0.083921   0.271361
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049743   0.076770  -0.028183
-    0SOL     H3    3  -0.039946  -0.033509  -0.080273
-    1SOL     O4    4   0.156615   0.189229  -0.120794
-    1SOL     H5    5   0.142120   0.269216  -0.171334
-    1SOL     H6    6   0.230735   0.146696  -0.163915
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.085882  -0.042158  -0.003050
-    0SOL     H3    3   0.058414  -0.067069   0.035382
-    1SOL     O4    4   0.193298  -0.200489   0.049112
-    1SOL     H5    5   0.191329  -0.256006   0.127063
-    1SOL     H6    6   0.256243  -0.131566   0.070320
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061690  -0.030228   0.066655
-    0SOL     H3    3   0.069893  -0.065399   0.000565
-    1SOL     O4    4   0.136047   0.136550   0.184840
-    1SOL     H5    5   0.094498   0.115370   0.101249
-    1SOL     H6    6   0.188392   0.214570   0.166535
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.012660  -0.079301  -0.052090
-    0SOL     H3    3  -0.044316  -0.018366   0.082832
-    1SOL     O4    4   0.190792   0.002050   0.263821
-    1SOL     H5    5   0.143643   0.080384   0.292159
-    1SOL     H6    6   0.243063  -0.023331   0.339886
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057124   0.040729  -0.065118
-    0SOL     H3    3  -0.060027  -0.038815   0.063658
-    1SOL     O4    4   0.077215   0.284960  -0.215728
-    1SOL     H5    5  -0.018096   0.276573  -0.212928
-    1SOL     H6    6   0.095857   0.363950  -0.164979
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036275  -0.083067  -0.030762
-    0SOL     H3    3  -0.065283   0.023558  -0.065920
-    1SOL     O4    4  -0.188148   0.111383  -0.140773
-    1SOL     H5    5  -0.134653   0.186242  -0.167169
-    1SOL     H6    6  -0.202285   0.062262  -0.221703
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074783   0.028244  -0.052651
-    0SOL     H3    3   0.038909  -0.034727   0.080265
-    1SOL     O4    4   0.163618   0.194960   0.164014
-    1SOL     H5    5   0.122351   0.254602   0.101547
-    1SOL     H6    6   0.094639   0.175009   0.227309
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078179   0.020302   0.051363
-    0SOL     H3    3  -0.033763  -0.038180  -0.081022
-    1SOL     O4    4   0.191913   0.090443   0.221167
-    1SOL     H5    5   0.101848   0.121614   0.230051
-    1SOL     H6    6   0.197364   0.015571   0.280554
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057583  -0.068356   0.034263
-    0SOL     H3    3  -0.059302   0.070396  -0.026266
-    1SOL     O4    4   0.045236  -0.082135   0.362123
-    1SOL     H5    5  -0.027164  -0.019922   0.369201
-    1SOL     H6    6   0.032600  -0.142128   0.435632
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.058464  -0.046844   0.059581
-    0SOL     H3    3  -0.028538  -0.066402  -0.062759
-    1SOL     O4    4   0.181131   0.149873  -0.058655
-    1SOL     H5    5   0.095936   0.116874  -0.030103
-    1SOL     H6    6   0.185996   0.238317  -0.022376
-  3.000000   3.000000   3.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.098994   0.247514  -0.184080
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.004875   0.059629  -0.074719
-    1SOL     O4    4   0.044152  -0.172917   0.316289
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-    1SOL     H6    6   0.085877  -0.246273   0.361458
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084779   0.028200  -0.034344
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-    1SOL     O4    4  -0.193016   0.199407   0.006853
-    1SOL     H5    5  -0.213199   0.240071  -0.077417
-    1SOL     H6    6  -0.125611   0.134516  -0.013344
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.062087   0.045592   0.056824
-    0SOL     H3    3  -0.005139   0.054489  -0.078530
-    1SOL     O4    4   0.136662   0.105326   0.196276
-    1SOL     H5    5   0.048965   0.131269   0.224534
-    1SOL     H6    6   0.156329   0.027109   0.247827
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060335   0.030870   0.067595
-    0SOL     H3    3  -0.054876  -0.011942  -0.077513
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-    1SOL     H5    5  -0.248218   0.115552   0.273654
-    1SOL     H6    6  -0.103555   0.160181   0.273427
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022641  -0.033593  -0.086725
-    0SOL     H3    3   0.011569  -0.074868   0.058508
-    1SOL     O4    4   0.190021   0.174161   0.066895
-    1SOL     H5    5   0.140325   0.092597   0.073206
-    1SOL     H6    6   0.175217   0.217835   0.150775
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.065025  -0.002613  -0.070194
-    0SOL     H3    3   0.032879  -0.061596   0.065477
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-    1SOL     H5    5  -0.108099  -0.121737  -0.080552
-    1SOL     H6    6  -0.198051  -0.104602  -0.201109
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.054404   0.296966   0.130192
-    1SOL     H6    6   0.149820   0.183480   0.160780
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.078009   0.162459  -0.195532
-    1SOL     H5    5  -0.079134   0.104277  -0.271532
-    1SOL     H6    6  -0.000077   0.216635  -0.207935
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020096  -0.030232   0.088569
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-    1SOL     O4    4  -0.056896  -0.233945  -0.149816
-    1SOL     H5    5   0.025860  -0.280273  -0.162754
-    1SOL     H6    6  -0.122820  -0.291146  -0.189116
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.053285  -0.050595  -0.061344
-    1SOL     O4    4   0.147662   0.247608  -0.018777
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-    1SOL     H6    6   0.202721   0.272170   0.055570
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.264438   0.182006  -0.044385
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-    6
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-    6
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-    1SOL     O4    4   0.221937  -0.190457  -0.027649
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-    6
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-    1SOL     O4    4  -0.266188  -0.236848   0.069111
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.114450  -0.068783  -0.238328
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-    1SOL     H6    6   0.118913   0.003231  -0.301227
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-    6
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-    1SOL     H5    5  -0.129748   0.218202   0.091221
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-    6
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-    1SOL     H5    5  -0.245992   0.198370   0.007839
-    1SOL     H6    6  -0.148487   0.260653   0.105474
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029578  -0.066297   0.062387
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-    1SOL     H5    5   0.150116  -0.265855  -0.117281
-    1SOL     H6    6   0.046240  -0.375908  -0.113126
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.037997   0.045499   0.075155
-    0SOL     H3    3  -0.052416   0.066650  -0.044415
-    1SOL     O4    4   0.175575  -0.042752  -0.193795
-    1SOL     H5    5   0.113108  -0.104272  -0.232208
-    1SOL     H6    6   0.140503  -0.024190  -0.106688
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018718   0.083611   0.042675
-    0SOL     H3    3   0.069069  -0.058668   0.030821
-    1SOL     O4    4  -0.395908   0.081818  -0.080645
-    1SOL     H5    5  -0.366504   0.105091   0.007424
-    1SOL     H6    6  -0.462717   0.014706  -0.066687
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.064629  -0.048484  -0.051329
-    0SOL     H3    3  -0.060185   0.036078  -0.065104
-    1SOL     O4    4   0.029856   0.138195   0.230488
-    1SOL     H5    5   0.036818   0.089374   0.148449
-    1SOL     H6    6   0.108190   0.193171   0.232421
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011897   0.061985   0.071963
-    0SOL     H3    3   0.038002   0.043957  -0.076065
-    1SOL     O4    4  -0.189222  -0.188893  -0.027458
-    1SOL     H5    5  -0.113931  -0.132468  -0.045059
-    1SOL     H6    6  -0.253239  -0.131192   0.014192
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055800  -0.060776   0.048528
-    0SOL     H3    3   0.056775   0.035172  -0.068570
-    1SOL     O4    4  -0.291061  -0.121226   0.123722
-    1SOL     H5    5  -0.214580  -0.176297   0.140460
-    1SOL     H6    6  -0.271449  -0.077454   0.040886
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006488   0.051521   0.080410
-    0SOL     H3    3  -0.080595  -0.050592   0.010351
-    1SOL     O4    4   0.057527   0.197878   0.176697
-    1SOL     H5    5   0.112091   0.244957   0.113699
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.184059  -0.234655  -0.024054
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-    6
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-    1SOL     H5    5  -0.299558  -0.089084   0.115112
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.047724  -0.082974  -0.000190
-    0SOL     H3    3   0.061077   0.062727   0.038694
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-    1SOL     H5    5   0.177432  -0.282082   0.053500
-    1SOL     H6    6   0.105025  -0.291291  -0.079133
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082833  -0.047749   0.004580
-    0SOL     H3    3   0.066456  -0.068146  -0.010103
-    1SOL     O4    4  -0.204182  -0.176227   0.041398
-    1SOL     H5    5  -0.268142  -0.171579   0.112460
-    1SOL     H6    6  -0.156000  -0.257306   0.057740
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093065  -0.021146  -0.007353
-    0SOL     H3    3  -0.012145   0.075295  -0.057840
-    1SOL     O4    4  -0.124498   0.221263  -0.115000
-    1SOL     H5    5  -0.182250   0.184267  -0.181771
-    1SOL     H6    6  -0.179863   0.229671  -0.037370
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.069292   0.020604   0.062741
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-    1SOL     O4    4   0.213888   0.151710  -0.070247
-    1SOL     H5    5   0.263433   0.078691  -0.033154
-    1SOL     H6    6   0.122597   0.131768  -0.049495
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.075316  -0.055189   0.021069
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-    1SOL     H6    6  -0.043034   0.149294  -0.079310
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024349   0.059596   0.070836
-    0SOL     H3    3   0.049916   0.030915  -0.075597
-    1SOL     O4    4  -0.100620   0.266948  -0.105716
-    1SOL     H5    5  -0.162797   0.329637  -0.142681
-    1SOL     H6    6  -0.147918   0.226167  -0.033175
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082722  -0.005188  -0.047880
-    0SOL     H3    3  -0.038709   0.082982  -0.027892
-    1SOL     O4    4  -0.165379  -0.190625   0.068046
-    1SOL     H5    5  -0.110464  -0.246384   0.123161
-    1SOL     H6    6  -0.109094  -0.116682   0.045094
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.078078   0.052625   0.017226
-    1SOL     O4    4  -0.065939  -0.067223  -0.260929
-    1SOL     H5    5  -0.011847  -0.092537  -0.335732
-    1SOL     H6    6  -0.115367   0.008762  -0.291677
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079678   0.043211  -0.030765
-    0SOL     H3    3  -0.028346  -0.053617  -0.074054
-    1SOL     O4    4  -0.098365  -0.221189  -0.146677
-    1SOL     H5    5  -0.060135  -0.306191  -0.168482
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    1SOL     H5    5  -0.223876   0.080175   0.163096
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.295241   0.084855   0.023545
-    1SOL     H6    6   0.154166   0.119878  -0.018766
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-    6
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-    1SOL     O4    4   0.031343  -0.201526   0.352662
-    1SOL     H5    5   0.035137  -0.275762   0.412968
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.300002  -0.168089  -0.027948
-    1SOL     H6    6  -0.197350  -0.256111   0.040123
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-    6
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-    1SOL     H6    6   0.110926   0.177776   0.239479
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.225329   0.151001  -0.088423
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-    6
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-    6
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-    0SOL     H3    3   0.083969   0.031952  -0.033025
-    1SOL     O4    4  -0.205426   0.169099  -0.064203
-    1SOL     H5    5  -0.197983   0.211109  -0.149890
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.011607   0.023245   0.092126
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-    1SOL     H5    5  -0.271153  -0.156409   0.004683
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.043448  -0.046855   0.071269
-    1SOL     O4    4  -0.182729   0.177377   0.062289
-    1SOL     H5    5  -0.190453   0.210682   0.151695
-    1SOL     H6    6  -0.097276   0.134309   0.060022
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.070931  -0.264497   0.203827
-    1SOL     H5    5  -0.007430  -0.324879   0.165305
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.084456  -0.037568   0.024863
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-    1SOL     O4    4   0.237547  -0.170359  -0.018886
-    1SOL     H5    5   0.249551  -0.199467   0.071507
-    1SOL     H6    6   0.275544  -0.082531  -0.021063
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.012288  -0.080734   0.049933
-    1SOL     O4    4  -0.196038  -0.065855  -0.275173
-    1SOL     H5    5  -0.125792  -0.000865  -0.277208
-    1SOL     H6    6  -0.254573  -0.035756  -0.205675
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063890   0.018880   0.068731
-    0SOL     H3    3  -0.047866  -0.053665  -0.063176
-    1SOL     O4    4  -0.057879  -0.140300  -0.233278
-    1SOL     H5    5  -0.083812  -0.097618  -0.314936
-    1SOL     H6    6   0.014000  -0.198343  -0.258312
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087310  -0.039162   0.002383
-    0SOL     H3    3  -0.002664   0.068654   0.066647
-    1SOL     O4    4   0.016707  -0.092688   0.354261
-    1SOL     H5    5   0.099001  -0.043800   0.354186
-    1SOL     H6    6  -0.048706  -0.029613   0.324180
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056122  -0.073212  -0.025547
-    0SOL     H3    3   0.060828   0.067507   0.030084
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-    6
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-    6
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-    1SOL     H5    5  -0.189507   0.221035  -0.169856
-    1SOL     H6    6  -0.268186   0.107639  -0.107648
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-    6
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-    6
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-    1SOL     H6    6   0.177256   0.133221   0.226263
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-    6
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-    1SOL     H5    5  -0.272509  -0.155958  -0.072197
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-    6
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-    1SOL     H5    5  -0.298189  -0.117669  -0.002686
-    1SOL     H6    6  -0.223699  -0.084026  -0.130116
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-    6
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-    0SOL     H3    3  -0.050397  -0.060854  -0.054031
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-    1SOL     H5    5  -0.203668  -0.218220   0.246802
-    1SOL     H6    6  -0.054146  -0.211158   0.269434
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065324   0.069044  -0.011315
-    0SOL     H3    3   0.082576   0.046853   0.012182
-    1SOL     O4    4   0.121739  -0.083815  -0.294711
-    1SOL     H5    5   0.178446  -0.114535  -0.223980
-    1SOL     H6    6   0.062249  -0.021796  -0.252557
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-    6
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-    0SOL     H2    2   0.070562   0.035185   0.054271
-    0SOL     H3    3  -0.015483   0.067572  -0.066005
-    1SOL     O4    4   0.186641   0.004573   0.223637
-    1SOL     H5    5   0.122899  -0.055240   0.262646
-    1SOL     H6    6   0.146295   0.091028   0.231385
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.064462   0.062024   0.034059
-    0SOL     H3    3   0.075321   0.009205   0.058347
-    1SOL     O4    4   0.199606   0.020158   0.203473
-    1SOL     H5    5   0.128220   0.006514   0.265765
-    1SOL     H6    6   0.244987  -0.064055   0.200156
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.009353   0.092388  -0.023224
-    0SOL     H3    3   0.030861  -0.047400  -0.077222
-    1SOL     O4    4   0.050243  -0.168638   0.189903
-    1SOL     H5    5  -0.023756  -0.229346   0.190828
-    1SOL     H6    6   0.031997  -0.109673   0.116742
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070086  -0.061371   0.021997
-    0SOL     H3    3   0.039824   0.022125   0.084183
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-    1SOL     H5    5  -0.233067  -0.233657  -0.015426
-    1SOL     H6    6  -0.255540  -0.185580   0.126357
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067327   0.067537  -0.008254
-    0SOL     H3    3  -0.081561   0.048722   0.011676
-    1SOL     O4    4  -0.076501  -0.103104  -0.222030
-    1SOL     H5    5  -0.027477  -0.069200  -0.147133
-    1SOL     H6    6  -0.010054  -0.143264  -0.278014
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032487   0.064340   0.062986
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-    1SOL     O4    4   0.088742   0.217120   0.165624
-    1SOL     H5    5   0.056778   0.172410   0.243993
-    1SOL     H6    6   0.182516   0.228528   0.181068
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.237457  -0.146548   0.071149
-    1SOL     H5    5   0.160638  -0.090450   0.081831
-    1SOL     H6    6   0.250633  -0.185881   0.157414
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078608  -0.052860   0.013747
-    0SOL     H3    3   0.013499   0.045063   0.083363
-    1SOL     O4    4  -0.194445  -0.198536  -0.046723
-    1SOL     H5    5  -0.278189  -0.152189  -0.045565
-    1SOL     H6    6  -0.173569  -0.208060  -0.139652
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081515  -0.048173  -0.014033
-    0SOL     H3    3   0.066296  -0.067993   0.012005
-    1SOL     O4    4   0.216751  -0.167542  -0.029764
-    1SOL     H5    5   0.200723  -0.198271  -0.118989
-    1SOL     H6    6   0.277021  -0.093915  -0.040202
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045509  -0.039874   0.074171
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-    1SOL     O4    4   0.331236  -0.159948  -0.077484
-    1SOL     H5    5   0.402806  -0.190334  -0.133311
-    1SOL     H6    6   0.266483  -0.230353  -0.081029
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.015178   0.019060  -0.092567
-    0SOL     H3    3   0.047954  -0.082841  -0.000104
-    1SOL     O4    4  -0.163252  -0.197930  -0.066822
-    1SOL     H5    5  -0.137542  -0.118757  -0.019567
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.022796  -0.111487  -0.379943
-    1SOL     H5    5  -0.048545  -0.155458  -0.460973
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-    6
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-    0SOL     H3    3  -0.020170   0.093508  -0.003421
-    1SOL     O4    4   0.140199   0.005210   0.226689
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-    1SOL     H6    6   0.115239  -0.022938   0.138671
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-    6
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-    1SOL     O4    4  -0.247079   0.156705   0.059017
-    1SOL     H5    5  -0.214061   0.246365   0.064788
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.042535   0.085714  -0.002491
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-    1SOL     O4    4  -0.204701  -0.256275   0.192255
-    1SOL     H5    5  -0.243415  -0.169934   0.206707
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.038580   0.020193   0.085242
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-    1SOL     H5    5   0.196429   0.194331   0.098085
-    1SOL     H6    6   0.253600   0.058493   0.132703
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.294006   0.174563  -0.134680
-    1SOL     H5    5   0.336305   0.195736  -0.217895
-    1SOL     H6    6   0.243951   0.253090  -0.112537
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.002022   0.091614   0.027660
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-    1SOL     O4    4   0.158176  -0.077841   0.264157
-    1SOL     H5    5   0.197199   0.002576   0.229912
-    1SOL     H6    6   0.179887  -0.144635   0.199122
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.065652   0.065525  -0.023634
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-    1SOL     O4    4   0.209370   0.156748  -0.082006
-    1SOL     H5    5   0.214234   0.223938  -0.014005
-    1SOL     H6    6   0.264358   0.085528  -0.049350
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.043906  -0.055277   0.064646
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-    1SOL     H5    5   0.149608   0.165526   0.166560
-    1SOL     H6    6   0.132871   0.261913   0.051025
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-    6
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-    0SOL     H2    2   0.089478   0.031292   0.013296
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-    1SOL     O4    4  -0.013358  -0.218039  -0.168324
-    1SOL     H5    5  -0.063267  -0.193196  -0.246133
-    1SOL     H6    6   0.032878  -0.297842  -0.193937
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.047422  -0.043236   0.071022
-    1SOL     O4    4  -0.264153  -0.103313  -0.002022
-    1SOL     H5    5  -0.244771  -0.171847  -0.065973
-    1SOL     H6    6  -0.256311  -0.146805   0.082885
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.047580  -0.042299  -0.071479
-    1SOL     O4    4  -0.102040  -0.162674   0.197107
-    1SOL     H5    5  -0.077938  -0.087131   0.143491
-    1SOL     H6    6  -0.196760  -0.154816   0.208445
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.033126  -0.088449   0.015548
-    0SOL     H3    3   0.034124   0.023588  -0.086264
-    1SOL     O4    4  -0.067768   0.027478   0.360293
-    1SOL     H5    5  -0.097922  -0.059878   0.385232
-    1SOL     H6    6  -0.096004   0.084040   0.432167
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039233  -0.080867  -0.032917
-    0SOL     H3    3   0.007903  -0.006499   0.095171
-    1SOL     O4    4  -0.319819   0.139060   0.147086
-    1SOL     H5    5  -0.273507   0.202967   0.201247
-    1SOL     H6    6  -0.291581   0.054053   0.180831
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052817   0.066025   0.044871
-    0SOL     H3    3  -0.040997   0.047243  -0.072454
-    1SOL     O4    4  -0.134481   0.129696  -0.210692
-    1SOL     H5    5  -0.146467   0.090109  -0.297015
-    1SOL     H6    6  -0.212396   0.183853  -0.198099
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063615  -0.050156   0.050989
-    0SOL     H3    3   0.051314   0.047310   0.065505
-    1SOL     O4    4   0.181337  -0.147475  -0.156451
-    1SOL     H5    5   0.212830  -0.083049  -0.219853
-    1SOL     H6    6   0.114715  -0.100860  -0.105945
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048972   0.011464   0.081441
-    0SOL     H3    3  -0.057286   0.076551  -0.004535
-    1SOL     O4    4   0.176421  -0.078584  -0.217374
-    1SOL     H5    5   0.204101  -0.101792  -0.128731
-    1SOL     H6    6   0.114762  -0.006399  -0.205136
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029324   0.087191   0.026461
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-    1SOL     O4    4  -0.281502  -0.036539  -0.001703
-    1SOL     H5    5  -0.336423  -0.076077   0.065993
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089476  -0.033857   0.003188
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-    6
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-    1SOL     O4    4  -0.023005  -0.213654   0.244736
-    1SOL     H5    5   0.061188  -0.168129   0.245907
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-    6
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-    1SOL     O4    4   0.084297   0.333888  -0.065723
-    1SOL     H5    5   0.148327   0.401210  -0.088747
-    1SOL     H6    6   0.124095   0.286999   0.007624
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-    6
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-    1SOL     O4    4   0.107249   0.241893   0.048642
-    1SOL     H5    5   0.086817   0.309861  -0.015585
-    1SOL     H6    6   0.039428   0.250960   0.115579
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070380  -0.022340   0.060910
-    0SOL     H3    3  -0.045086   0.033228  -0.077624
-    1SOL     O4    4   0.251776  -0.017222  -0.114973
-    1SOL     H5    5   0.318404   0.050913  -0.105993
-    1SOL     H6    6   0.174724   0.018604  -0.070908
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.177279   0.153632  -0.206686
-    1SOL     H5    5   0.120013   0.138146  -0.131565
-    1SOL     H6    6   0.132456   0.111625  -0.280093
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.039426   0.079854  -0.035088
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-    1SOL     H5    5   0.135513  -0.214848  -0.154459
-    1SOL     H6    6   0.102259  -0.277560  -0.020742
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028494  -0.069330  -0.059530
-    0SOL     H3    3   0.026648   0.071648  -0.057609
-    1SOL     O4    4  -0.125970  -0.208815  -0.125639
-    1SOL     H5    5  -0.141988  -0.303160  -0.123425
-    1SOL     H6    6  -0.060398  -0.197214  -0.194400
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.068447  -0.044179  -0.050255
-    0SOL     H3    3  -0.059646   0.034917  -0.066223
-    1SOL     O4    4  -0.138338  -0.228851   0.193686
-    1SOL     H5    5  -0.131068  -0.254923   0.285500
-    1SOL     H6    6  -0.049259  -0.236382   0.159474
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.082275  -0.036929   0.032083
-    1SOL     O4    4  -0.243549  -0.165129   0.044029
-    1SOL     H5    5  -0.286516  -0.092522  -0.001187
-    1SOL     H6    6  -0.240690  -0.235466  -0.020831
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022121   0.077960   0.050943
-    0SOL     H3    3   0.040739  -0.059215   0.063216
-    1SOL     O4    4   0.118764  -0.170922   0.167269
-    1SOL     H5    5   0.174729  -0.120133   0.226011
-    1SOL     H6    6   0.178818  -0.230458   0.122422
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.006825  -0.054168  -0.078623
-    0SOL     H3    3  -0.085932  -0.021268   0.036410
-    1SOL     O4    4   0.085705  -0.142857  -0.198114
-    1SOL     H5    5   0.180279  -0.133348  -0.209413
-    1SOL     H6    6   0.050828  -0.143485  -0.287251
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.034656  -0.010520  -0.088604
-    0SOL     H3    3   0.085389   0.041443  -0.012392
-    1SOL     O4    4  -0.090937   0.266434   0.040855
-    1SOL     H5    5  -0.184295   0.269559   0.019955
-    1SOL     H6    6  -0.064331   0.177225   0.018582
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.035838  -0.002446   0.088724
-    0SOL     H3    3   0.046914  -0.082923  -0.009228
-    1SOL     O4    4  -0.243501  -0.152331  -0.103851
-    1SOL     H5    5  -0.322299  -0.147780  -0.158004
-    1SOL     H6    6  -0.204361  -0.065278  -0.111067
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.003198   0.092136   0.025750
-    0SOL     H3    3  -0.073306  -0.010528  -0.060644
-    1SOL     O4    4  -0.133208   0.167965  -0.217589
-    1SOL     H5    5  -0.059155   0.213965  -0.178061
-    1SOL     H6    6  -0.093239   0.097528  -0.268613
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000041  -0.040254  -0.086844
-    0SOL     H3    3  -0.002785   0.094125  -0.017176
-    1SOL     O4    4   0.201718  -0.180064   0.089876
-    1SOL     H5    5   0.144721  -0.243436   0.133438
-    1SOL     H6    6   0.142216  -0.112177   0.058048
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025187  -0.060258  -0.069978
-    0SOL     H3    3   0.023790  -0.056865   0.073230
-    1SOL     O4    4  -0.240760   0.127614   0.101118
-    1SOL     H5    5  -0.168038   0.065376   0.101683
-    1SOL     H6    6  -0.298658   0.097507   0.171144
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.095415  -0.001783   0.007424
-    0SOL     H3    3   0.022611  -0.084398  -0.039090
-    1SOL     O4    4   0.088836  -0.223082  -0.135106
-    1SOL     H5    5   0.027884  -0.235591  -0.207843
-    1SOL     H6    6   0.110957  -0.311806  -0.106802
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063478  -0.070542   0.012519
-    0SOL     H3    3   0.041694   0.058928  -0.062860
-    1SOL     O4    4   0.033237   0.203931  -0.167796
-    1SOL     H5    5  -0.025203   0.278013  -0.151701
-    1SOL     H6    6   0.086524   0.231187  -0.242495
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047776  -0.080338   0.020629
-    0SOL     H3    3   0.036535  -0.015500  -0.087105
-    1SOL     O4    4   0.190687   0.080705   0.149186
-    1SOL     H5    5   0.175564   0.154379   0.208397
-    1SOL     H6    6   0.106848   0.068007   0.104778
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021662   0.030045   0.088263
-    0SOL     H3    3  -0.068602   0.037102  -0.055493
-    1SOL     O4    4  -0.019107   0.295688   0.225820
-    1SOL     H5    5  -0.079090   0.222106   0.238063
-    1SOL     H6    6  -0.063335   0.369839   0.267148
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.000807  -0.047747   0.082957
-    1SOL     O4    4  -0.011157  -0.123195   0.225288
-    1SOL     H5    5   0.063591  -0.175684   0.253926
-    1SOL     H6    6  -0.038129  -0.075139   0.303554
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.058256  -0.047988   0.058870
-    0SOL     H3    3   0.050229   0.009578  -0.080918
-    1SOL     O4    4  -0.179618   0.196659   0.079946
-    1SOL     H5    5  -0.151133   0.251189   0.153276
-    1SOL     H6    6  -0.106208   0.137267   0.064269
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065433   0.059506   0.036606
-    0SOL     H3    3   0.073637   0.004867   0.060961
-    1SOL     O4    4   0.224848   0.005087   0.137668
-    1SOL     H5    5   0.278885  -0.061228   0.180618
-    1SOL     H6    6   0.230970   0.081683   0.194746
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080486   0.033395  -0.039611
-    0SOL     H3    3  -0.013366   0.010705   0.094176
-    1SOL     O4    4   0.163458   0.179959  -0.140114
-    1SOL     H5    5   0.221692   0.130578  -0.197842
-    1SOL     H6    6   0.127631   0.114344  -0.080335
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052780  -0.075102  -0.027135
-    0SOL     H3    3  -0.026871   0.041345  -0.082042
-    1SOL     O4    4  -0.301569   0.033986   0.137666
-    1SOL     H5    5  -0.386609   0.030537   0.181468
-    1SOL     H6    6  -0.321123   0.066616   0.049829
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.067934  -0.067342   0.003517
-    0SOL     H3    3   0.082034  -0.048065   0.011068
-    1SOL     O4    4  -0.222884  -0.205213  -0.026913
-    1SOL     H5    5  -0.231573  -0.152739  -0.106495
-    1SOL     H6    6  -0.256484  -0.148857   0.042781
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.008217  -0.068233   0.066626
-    0SOL     H3    3   0.069901  -0.019010  -0.062568
-    1SOL     O4    4   0.265142  -0.051970  -0.139550
-    1SOL     H5    5   0.252912   0.008805  -0.212483
-    1SOL     H6    6   0.341018  -0.104642  -0.164668
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065702  -0.061451  -0.032702
-    0SOL     H3    3  -0.003370  -0.009661   0.095171
-    1SOL     O4    4   0.029671   0.259496  -0.104461
-    1SOL     H5    5   0.060923   0.193185  -0.042909
-    1SOL     H6    6  -0.031763   0.212694  -0.161009
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048987   0.080738   0.015619
-    0SOL     H3    3  -0.089858   0.021177   0.025285
-    1SOL     O4    4   0.185398   0.188836   0.074497
-    1SOL     H5    5   0.201668   0.152750   0.161648
-    1SOL     H6    6   0.210586   0.280912   0.081562
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045573  -0.072375  -0.042979
-    0SOL     H3    3  -0.077555   0.015007  -0.054059
-    1SOL     O4    4  -0.016121   0.269946   0.058082
-    1SOL     H5    5   0.007434   0.177171   0.057579
-    1SOL     H6    6  -0.043030   0.287385   0.148271
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.057804   0.061564  -0.045066
-    0SOL     H3    3   0.035464  -0.055096  -0.069779
-    1SOL     O4    4   0.127178  -0.279976  -0.037119
-    1SOL     H5    5   0.072696  -0.278486  -0.115807
-    1SOL     H6    6   0.172899  -0.363973  -0.041171
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048525  -0.049633  -0.065911
-    0SOL     H3    3   0.064754   0.019717   0.067679
-    1SOL     O4    4  -0.236468   0.105350   0.152026
-    1SOL     H5    5  -0.176500   0.078541   0.082403
-    1SOL     H6    6  -0.181267   0.112209   0.229925
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.071312   0.026885  -0.057915
-    0SOL     H3    3   0.078420   0.004774  -0.054680
-    1SOL     O4    4  -0.225258   0.116983  -0.105800
-    1SOL     H5    5  -0.252908   0.108989  -0.197090
-    1SOL     H6    6  -0.307023   0.119606  -0.056101
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029354  -0.081840  -0.040037
-    0SOL     H3    3  -0.083924  -0.021853   0.040515
-    1SOL     O4    4  -0.008466   0.117395  -0.308437
-    1SOL     H5    5  -0.043897   0.045046  -0.256740
-    1SOL     H6    6  -0.085662   0.163087  -0.341833
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010723   0.069329   0.065122
-    0SOL     H3    3   0.087571  -0.037350  -0.009931
-    1SOL     O4    4  -0.218221  -0.158319   0.083724
-    1SOL     H5    5  -0.244355  -0.132326  -0.004614
-    1SOL     H6    6  -0.136389  -0.111196   0.099385
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.018953   0.002443  -0.093793
-    0SOL     H3    3  -0.017813   0.091125   0.023266
-    1SOL     O4    4   0.052138   0.004607  -0.266381
-    1SOL     H5    5   0.017722   0.052168  -0.341984
-    1SOL     H6    6   0.120555  -0.051712  -0.302571
-  3.000000   3.000000   3.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.289737   0.069853   0.038540
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-    6
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-    1SOL     H5    5   0.309400  -0.096941   0.018531
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.017357  -0.033930   0.087806
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-    1SOL     H5    5   0.082086   0.309009  -0.073555
-    1SOL     H6    6   0.006058   0.190771  -0.017357
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.155348   0.168687   0.132567
-    1SOL     H5    5  -0.232294   0.128103   0.092634
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.140938   0.230349  -0.110315
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    0SOL     H3    3  -0.056187  -0.003640   0.077408
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-    1SOL     H6    6   0.192417  -0.015135   0.005345
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.167129  -0.145081  -0.122015
-    1SOL     H5    5   0.128969  -0.072504  -0.072631
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.292107   0.025163  -0.017608
-    1SOL     H5    5   0.331379   0.107106  -0.047698
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.034814  -0.076013   0.046608
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-    1SOL     O4    4   0.156540   0.185721   0.110383
-    1SOL     H5    5   0.100641   0.129032   0.057241
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.286567  -0.019305  -0.176833
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-    6
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-    6
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-    1SOL     H5    5  -0.104401  -0.237506  -0.089141
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-    6
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-    1SOL     H5    5   0.024724  -0.229203  -0.150191
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-    6
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-    1SOL     O4    4   0.166589  -0.206835   0.123401
-    1SOL     H5    5   0.129947  -0.256734   0.050396
-    1SOL     H6    6   0.261085  -0.220623   0.116862
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-    6
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-    0SOL     H2    2   0.022815  -0.018471  -0.091108
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-    1SOL     O4    4  -0.124271   0.278940   0.072762
-    1SOL     H5    5  -0.118509   0.213402   0.142288
-    1SOL     H6    6  -0.047681   0.262401   0.017782
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.087895   0.035082  -0.014356
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-    1SOL     H5    5   0.087424   0.148004  -0.145314
-    1SOL     H6    6   0.161471   0.130926  -0.276250
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076043   0.021497   0.054016
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-    6
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-    6
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-    1SOL     O4    4   0.008748  -0.272771  -0.006617
-    1SOL     H5    5   0.086199  -0.284452   0.048403
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-    6
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-    1SOL     H5    5  -0.223829  -0.380067  -0.015631
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052324  -0.073534   0.031894
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-    1SOL     O4    4   0.122630  -0.309169   0.024190
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-    1SOL     H6    6   0.114001  -0.389640   0.075301
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.167362   0.002187  -0.218211
-    1SOL     H5    5   0.133716  -0.078135  -0.257943
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.305154   0.140586   0.081226
-    1SOL     H5    5   0.380291   0.160225   0.025270
-    1SOL     H6    6   0.309167   0.045864   0.094421
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-    6
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-    1SOL     O4    4   0.035661  -0.153295   0.206474
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071219   0.004626  -0.063787
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-    1SOL     O4    4  -0.044645  -0.193193   0.204400
-    1SOL     H5    5  -0.117490  -0.167116   0.260755
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.072487  -0.046348  -0.041950
-    0SOL     H3    3  -0.008036  -0.040967   0.086137
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-    1SOL     H5    5  -0.077077  -0.181383   0.279666
-    1SOL     H6    6  -0.026843  -0.232694   0.146390
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083043  -0.000424  -0.047602
-    0SOL     H3    3   0.010162   0.069181   0.065369
-    1SOL     O4    4  -0.171405   0.009737  -0.219561
-    1SOL     H5    5  -0.133824   0.086015  -0.263513
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007925  -0.095359  -0.002467
-    0SOL     H3    3  -0.083083   0.031906  -0.035237
-    1SOL     O4    4  -0.022027  -0.262206  -0.020376
-    1SOL     H5    5   0.041057  -0.303267  -0.079509
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.196516   0.228755  -0.375372
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-    6
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-    1SOL     H5    5  -0.131291  -0.086573   0.264476
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-    6
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-    1SOL     H5    5   0.256524  -0.014816  -0.041828
-    1SOL     H6    6   0.362453   0.024029  -0.142769
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-    6
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-    1SOL     H5    5  -0.127130   0.260754   0.051101
-    1SOL     H6    6  -0.257381   0.197709   0.095587
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-    6
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-    0SOL     H2    2  -0.001082   0.080411  -0.051915
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-    1SOL     O4    4   0.111319   0.304975   0.046046
-    1SOL     H5    5   0.148155   0.390284   0.023073
-    1SOL     H6    6   0.131489   0.294373   0.139014
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.005143  -0.030989   0.090419
-    0SOL     H3    3  -0.071449  -0.050604  -0.038685
-    1SOL     O4    4   0.030208  -0.201187   0.178598
-    1SOL     H5    5  -0.049079  -0.202261   0.232214
-    1SOL     H6    6   0.018298  -0.273222   0.116700
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066778  -0.031039   0.061152
-    0SOL     H3    3  -0.005248   0.095437   0.005146
-    1SOL     O4    4  -0.001871   0.257624  -0.034169
-    1SOL     H5    5  -0.013595   0.310034  -0.113403
-    1SOL     H6    6   0.073160   0.297377   0.010016
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000523   0.094781  -0.013368
-    0SOL     H3    3  -0.011069  -0.036555  -0.087770
-    1SOL     O4    4  -0.013774   0.258662   0.014227
-    1SOL     H5    5  -0.046046   0.312097   0.086791
-    1SOL     H6    6   0.000551   0.321013  -0.056973
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017976  -0.073242  -0.058947
-    0SOL     H3    3   0.095148  -0.000394   0.010444
-    1SOL     O4    4  -0.161430   0.184055  -0.136914
-    1SOL     H5    5  -0.113210   0.145375  -0.063832
-    1SOL     H6    6  -0.153775   0.278508  -0.123407
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069636  -0.004510  -0.065520
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-    1SOL     O4    4   0.132594  -0.022632  -0.232801
-    1SOL     H5    5   0.105701   0.052664  -0.285428
-    1SOL     H6    6   0.079993  -0.095286  -0.266221
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.038798  -0.072449  -0.049074
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-    1SOL     O4    4   0.176195   0.004941   0.218301
-    1SOL     H5    5   0.099515  -0.010285   0.163069
-    1SOL     H6    6   0.166233   0.095101   0.248867
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071232  -0.019861  -0.060778
-    0SOL     H3    3  -0.001951   0.095605   0.004267
-    1SOL     O4    4  -0.141722   0.120094   0.230581
-    1SOL     H5    5  -0.190175   0.059808   0.174187
-    1SOL     H6    6  -0.195239   0.127275   0.309618
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/118/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021590  -0.089266  -0.026978
-    0SOL     H3    3   0.095680   0.002729  -0.000453
-    1SOL     O4    4  -0.173039   0.150329  -0.157461
-    1SOL     H5    5  -0.253977   0.122445  -0.114639
-    1SOL     H6    6  -0.105003   0.095725  -0.118067
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/119/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001980   0.083516  -0.046727
-    0SOL     H3    3  -0.020543  -0.064750  -0.067437
-    1SOL     O4    4  -0.147531  -0.021145   0.226124
-    1SOL     H5    5  -0.112458   0.044595   0.286211
-    1SOL     H6    6  -0.114122   0.004618   0.140204
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/120/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076961  -0.049437  -0.028201
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-    1SOL     O4    4   0.154361   0.122541   0.276267
-    1SOL     H5    5   0.178489   0.196415   0.220385
-    1SOL     H6    6   0.058652   0.123521   0.277348
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.141978   0.143269  -0.320589
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-    1SOL     H6    6  -0.047608   0.159077  -0.323185
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.070357   0.047377  -0.044358
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-    1SOL     H5    5  -0.011291   0.087740   0.173863
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-    6
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-    1SOL     H5    5   0.149031  -0.111633   0.085980
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.001877   0.157666   0.238233
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-    6
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-    6
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-    0SOL     H3    3  -0.025413   0.092114  -0.005620
-    1SOL     O4    4  -0.156094  -0.023564   0.217209
-    1SOL     H5    5  -0.162262  -0.104350   0.268179
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-    6
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-    6
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-    1SOL     H6    6   0.114049   0.014000   0.113934
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-    6
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-    6
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-    1SOL     H6    6   0.043614  -0.237297   0.147699
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-    6
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-    1SOL     H5    5  -0.271296   0.069600  -0.063863
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-    6
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-    0SOL     H3    3   0.074447  -0.013993  -0.058516
-    1SOL     O4    4  -0.175100  -0.020331  -0.211846
-    1SOL     H5    5  -0.149811  -0.096204  -0.264441
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079521   0.020153   0.049321
-    0SOL     H3    3  -0.068869   0.049695   0.044157
-    1SOL     O4    4  -0.154451  -0.137879   0.302156
-    1SOL     H5    5  -0.193181  -0.066257   0.352482
-    1SOL     H6    6  -0.175876  -0.216655   0.352133
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.151476  -0.166062  -0.159708
-    1SOL     H5    5  -0.141278  -0.261091  -0.154443
-    1SOL     H6    6  -0.156152  -0.147587  -0.253511
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.050301  -0.010760   0.080724
-    1SOL     O4    4   0.160753  -0.012340   0.207642
-    1SOL     H5    5   0.170738  -0.069998   0.283393
-    1SOL     H6    6   0.142617   0.073787   0.245264
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.040508   0.073112   0.046648
-    0SOL     H3    3   0.042736  -0.000450  -0.085649
-    1SOL     O4    4   0.195142   0.014690  -0.196903
-    1SOL     H5    5   0.268966   0.014823  -0.135973
-    1SOL     H6    6   0.205021   0.095806  -0.246751
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063122   0.029767   0.065513
-    0SOL     H3    3  -0.011745  -0.094941  -0.003242
-    1SOL     O4    4  -0.163597   0.151780   0.196884
-    1SOL     H5    5  -0.259062   0.145094   0.194893
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-    6
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-    0SOL     H3    3  -0.003278   0.095069  -0.010656
-    1SOL     O4    4  -0.016472  -0.156619  -0.216613
-    1SOL     H5    5  -0.092031  -0.185847  -0.267592
-    1SOL     H6    6   0.052868  -0.144233  -0.281427
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.024060  -0.068062  -0.062856
-    0SOL     H3    3   0.072472   0.001642   0.062509
-    1SOL     O4    4   0.175755   0.026698   0.204696
-    1SOL     H5    5   0.270482   0.022600   0.217822
-    1SOL     H6    6   0.140152  -0.036876   0.266770
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.042171   0.071675   0.047398
-    0SOL     H3    3  -0.093310   0.010596   0.018530
-    1SOL     O4    4   0.013907  -0.284244   0.042662
-    1SOL     H5    5  -0.075817  -0.315628   0.053927
-    1SOL     H6    6   0.005108  -0.189444   0.032768
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/142/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074389   0.035806  -0.048441
-    0SOL     H3    3   0.010284  -0.094912  -0.006942
-    1SOL     O4    4  -0.012424   0.165091   0.211666
-    1SOL     H5    5  -0.019072   0.245337   0.159909
-    1SOL     H6    6  -0.015419   0.094539   0.147046
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/143/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073942  -0.011590   0.059670
-    0SOL     H3    3  -0.076867   0.001391   0.057025
-    1SOL     O4    4  -0.199792  -0.047892   0.238509
-    1SOL     H5    5  -0.166237  -0.115224   0.297693
-    1SOL     H6    6  -0.294247  -0.047226   0.254006
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/144/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093271   0.016250  -0.014101
-    0SOL     H3    3  -0.002741  -0.063604   0.071480
-    1SOL     O4    4   0.288041   0.185451   0.071806
-    1SOL     H5    5   0.363349   0.212052   0.019048
-    1SOL     H6    6   0.303939   0.093137   0.091496
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/145/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020969   0.024492   0.090126
-    0SOL     H3    3   0.011262  -0.095009   0.002952
-    1SOL     O4    4   0.199833   0.158006  -0.106961
-    1SOL     H5    5   0.161177   0.162890  -0.194392
-    1SOL     H6    6   0.150027   0.089415  -0.062498
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/146/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080283  -0.010807   0.050991
-    0SOL     H3    3  -0.001658  -0.072098  -0.062940
-    1SOL     O4    4  -0.168304  -0.009648   0.212894
-    1SOL     H5    5  -0.128130   0.057943   0.267482
-    1SOL     H6    6  -0.256866  -0.019277   0.247913
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/147/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.060953   0.009475  -0.073193
-    0SOL     H3    3   0.032114  -0.076165   0.048268
-    1SOL     O4    4  -0.134458  -0.297957  -0.082392
-    1SOL     H5    5  -0.171043  -0.223844  -0.034108
-    1SOL     H6    6  -0.040078  -0.292011  -0.067583
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/148/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001632  -0.041142   0.086412
-    0SOL     H3    3   0.066775  -0.048551  -0.048438
-    1SOL     O4    4  -0.025610   0.269583  -0.001989
-    1SOL     H5    5  -0.099243   0.303679  -0.052763
-    1SOL     H6    6  -0.030124   0.174715  -0.013906
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/149/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.010919   0.094940   0.005424
-    0SOL     H3    3  -0.011065  -0.028112   0.090827
-    1SOL     O4    4   0.337332   0.165302  -0.018343
-    1SOL     H5    5   0.284322   0.166396  -0.098037
-    1SOL     H6    6   0.427756   0.167909  -0.049629
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/150/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004718   0.036782  -0.088245
-    0SOL     H3    3   0.006327  -0.094522  -0.013705
-    1SOL     O4    4   0.016201   0.135076  -0.252212
-    1SOL     H5    5   0.091655   0.143287  -0.310536
-    1SOL     H6    6   0.015344   0.216825  -0.202426
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/151/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090059   0.030792  -0.010174
-    0SOL     H3    3   0.027165   0.033131   0.085596
-    1SOL     O4    4   0.064096  -0.274386   0.147346
-    1SOL     H5    5   0.024051  -0.198090   0.189030
-    1SOL     H6    6   0.158116  -0.256633   0.150065
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/152/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.042053   0.063110  -0.058404
-    0SOL     H3    3  -0.092323   0.001788  -0.025211
-    1SOL     O4    4  -0.294084  -0.027492  -0.034521
-    1SOL     H5    5  -0.362000  -0.083416  -0.072234
-    1SOL     H6    6  -0.322292  -0.013070   0.055804
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/153/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.061293   0.022017  -0.070148
-    0SOL     H3    3   0.006353   0.073250   0.061289
-    1SOL     O4    4  -0.000766   0.185219   0.249226
-    1SOL     H5    5   0.078384   0.172627   0.301562
-    1SOL     H6    6  -0.002525   0.279088   0.230578
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/154/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071495   0.023675  -0.059079
-    0SOL     H3    3  -0.076844   0.043839  -0.036543
-    1SOL     O4    4   0.170909   0.175241  -0.140725
-    1SOL     H5    5   0.133671   0.252031  -0.097378
-    1SOL     H6    6   0.134901   0.177906  -0.229374
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/155/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071195   0.008210  -0.063452
-    0SOL     H3    3  -0.079785   0.005930  -0.052550
-    1SOL     O4    4   0.016212  -0.168067   0.208968
-    1SOL     H5    5  -0.014066  -0.125183   0.128928
-    1SOL     H6    6   0.083920  -0.109760   0.243295
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/156/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.070644   0.036992   0.052946
-    0SOL     H3    3  -0.080222   0.031555   0.041605
-    1SOL     O4    4   0.286172  -0.162284   0.071897
-    1SOL     H5    5   0.349199  -0.169236   0.143602
-    1SOL     H6    6   0.200704  -0.170679   0.114171
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/157/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093912   0.016846  -0.007684
-    0SOL     H3    3   0.019588   0.015019   0.092483
-    1SOL     O4    4   0.030457  -0.266032   0.131153
-    1SOL     H5    5  -0.006344  -0.192509   0.180166
-    1SOL     H6    6   0.125209  -0.255803   0.140086
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/158/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.066172   0.051963   0.045645
-    0SOL     H3    3   0.006186  -0.086906   0.039641
-    1SOL     O4    4   0.171836  -0.151831   0.176994
-    1SOL     H5    5   0.178151  -0.121123   0.267434
-    1SOL     H6    6   0.169198  -0.247245   0.184175
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/159/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069950  -0.045149  -0.047232
-    0SOL     H3    3   0.003742  -0.036017   0.088606
-    1SOL     O4    4   0.276834   0.106255  -0.071206
-    1SOL     H5    5   0.353448   0.111708  -0.128328
-    1SOL     H6    6   0.278352   0.187840  -0.021167
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/160/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.037237  -0.073207  -0.049158
-    0SOL     H3    3   0.043468   0.077454  -0.035689
-    1SOL     O4    4   0.180564  -0.001725   0.201171
-    1SOL     H5    5   0.102108   0.005509   0.146813
-    1SOL     H6    6   0.179972   0.077535   0.254834
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.082472  -0.001307   0.048569
-    0SOL     H3    3  -0.009383  -0.069542  -0.065101
-    1SOL     O4    4  -0.158488  -0.013595   0.219414
-    1SOL     H5    5  -0.118583  -0.091874   0.257392
-    1SOL     H6    6  -0.252345  -0.032377   0.218833
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/162/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001999   0.095697   0.000693
-    0SOL     H3    3  -0.072535  -0.022910   0.058105
-    1SOL     O4    4  -0.154710  -0.184506   0.139133
-    1SOL     H5    5  -0.098412  -0.259647   0.120513
-    1SOL     H6    6  -0.135782  -0.162347   0.230309
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004999   0.093544  -0.019671
-    0SOL     H3    3  -0.005806  -0.042265  -0.085687
-    1SOL     O4    4   0.018599  -0.165621  -0.194962
-    1SOL     H5    5  -0.045327  -0.183520  -0.263921
-    1SOL     H6    6   0.099698  -0.146079  -0.241902
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/164/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022390  -0.083778  -0.040525
-    0SOL     H3    3   0.061966   0.008958   0.072404
-    1SOL     O4    4   0.134038  -0.183131  -0.156963
-    1SOL     H5    5   0.112842  -0.275478  -0.170571
-    1SOL     H6    6   0.136376  -0.145809  -0.245076
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/165/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.029560   0.086612  -0.028050
-    0SOL     H3    3  -0.094325   0.009865   0.012950
-    1SOL     O4    4   0.183546  -0.181628  -0.120031
-    1SOL     H5    5   0.255198  -0.189952  -0.057110
-    1SOL     H6    6   0.126422  -0.114552  -0.082615
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/166/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011022  -0.052558  -0.079237
-    0SOL     H3    3   0.024174   0.086907  -0.032017
-    1SOL     O4    4   0.184795  -0.160244   0.128800
-    1SOL     H5    5   0.136666  -0.234310   0.091918
-    1SOL     H6    6   0.155989  -0.084871   0.077309
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/167/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071956   0.055561  -0.029962
-    0SOL     H3    3  -0.077282   0.034721  -0.044545
-    1SOL     O4    4  -0.193054   0.164380  -0.116652
-    1SOL     H5    5  -0.177943   0.238266  -0.057704
-    1SOL     H6    6  -0.288037   0.152522  -0.116410
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/168/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094538  -0.009793   0.011355
-    0SOL     H3    3  -0.010516   0.086093  -0.040494
-    1SOL     O4    4  -0.143747   0.050488   0.224917
-    1SOL     H5    5  -0.228200   0.060013   0.180880
-    1SOL     H6    6  -0.085972   0.013348   0.158246
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.015515   0.052493  -0.078524
-    0SOL     H3    3  -0.010971  -0.090528  -0.029096
-    1SOL     O4    4  -0.205002   0.172699   0.116189
-    1SOL     H5    5  -0.166470   0.091121   0.084209
-    1SOL     H6    6  -0.171234   0.181882   0.205283
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.056245   0.062508   0.045734
-    0SOL     H3    3   0.018879   0.041732  -0.084049
-    1SOL     O4    4   0.008575   0.159730  -0.196909
-    1SOL     H5    5  -0.057355   0.206148  -0.248493
-    1SOL     H6    6   0.081314   0.146092  -0.257616
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/171/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074534   0.010900  -0.059061
-    0SOL     H3    3   0.011029   0.068896   0.065528
-    1SOL     O4    4   0.193723   0.010288  -0.187091
-    1SOL     H5    5   0.176558  -0.053503  -0.256362
-    1SOL     H6    6   0.289162   0.013413  -0.180457
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/172/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020182   0.075048   0.055882
-    0SOL     H3    3   0.092837   0.010031  -0.021049
-    1SOL     O4    4  -0.209708  -0.025215  -0.211431
-    1SOL     H5    5  -0.126580  -0.014722  -0.165150
-    1SOL     H6    6  -0.203893   0.035427  -0.285262
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.052232  -0.070814   0.037676
-    0SOL     H3    3  -0.039574   0.016052  -0.085665
-    1SOL     O4    4  -0.147240  -0.005460  -0.242652
-    1SOL     H5    5  -0.226097  -0.002686  -0.188464
-    1SOL     H6    6  -0.146271   0.078857  -0.287951
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.065200  -0.026598  -0.064837
-    0SOL     H3    3   0.007291   0.094829  -0.010802
-    1SOL     O4    4   0.134283   0.109953   0.319953
-    1SOL     H5    5   0.184813   0.169470   0.264574
-    1SOL     H6    6   0.043491   0.138201   0.308949
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.066241  -0.267521   0.004824
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-    6
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-    6
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-    1SOL     O4    4  -0.157094  -0.040765  -0.215094
-    1SOL     H5    5  -0.112471  -0.116209  -0.253556
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-    6
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-    1SOL     H5    5   0.167663   0.299386  -0.147312
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-    6
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-    6
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-    1SOL     H6    6  -0.158605  -0.138681   0.215757
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-    6
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-    1SOL     O4    4  -0.157098  -0.014318  -0.238835
-    1SOL     H5    5  -0.234437   0.014014  -0.190068
-    1SOL     H6    6  -0.147709   0.050454  -0.308682
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-    6
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-    0SOL     H3    3   0.020808   0.064318   0.067768
-    1SOL     O4    4   0.017052   0.185618   0.207965
-    1SOL     H5    5  -0.064731   0.156333   0.248166
-    1SOL     H6    6   0.084433   0.164678   0.272646
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-    6
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-    0SOL     H2    2   0.082781  -0.034087   0.033877
-    0SOL     H3    3  -0.012975  -0.046349  -0.082739
-    1SOL     O4    4   0.002126  -0.168149  -0.209913
-    1SOL     H5    5   0.074700  -0.182663  -0.270615
-    1SOL     H6    6   0.007016  -0.241552  -0.148672
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.023785  -0.056501  -0.073513
-    0SOL     H3    3  -0.057327  -0.028035   0.071344
-    1SOL     O4    4  -0.062551   0.293933   0.122669
-    1SOL     H5    5  -0.005419   0.227163   0.160617
-    1SOL     H6    6  -0.017162   0.322017   0.043212
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-    6
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-    0SOL     H2    2   0.044952   0.069907  -0.047484
-    0SOL     H3    3   0.051519  -0.011779   0.079808
-    1SOL     O4    4  -0.129209  -0.322008  -0.088651
-    1SOL     H5    5  -0.074123  -0.330009  -0.010781
-    1SOL     H6    6  -0.133657  -0.410800  -0.124128
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.043362  -0.001226   0.085326
-    0SOL     H3    3   0.089692   0.027470   0.019054
-    1SOL     O4    4   0.142606   0.330021  -0.082433
-    1SOL     H5    5   0.213758   0.342585  -0.019649
-    1SOL     H6    6   0.155907   0.398644  -0.147827
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/218/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.062123  -0.059960   0.041327
-    0SOL     H3    3  -0.032817   0.087263   0.021691
-    1SOL     O4    4  -0.193432  -0.152006   0.107297
-    1SOL     H5    5  -0.200384  -0.247380   0.103063
-    1SOL     H6    6  -0.177406  -0.133194   0.199772
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.059583   0.055903  -0.049870
-    0SOL     H3    3   0.087428   0.027165  -0.027941
-    1SOL     O4    4  -0.306740   0.054391   0.089052
-    1SOL     H5    5  -0.369018   0.005781   0.143098
-    1SOL     H6    6  -0.319283   0.019571   0.000776
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049461   0.021700   0.079026
-    0SOL     H3    3   0.012216   0.075570  -0.057465
-    1SOL     O4    4   0.149905  -0.272479   0.065250
-    1SOL     H5    5   0.204078  -0.193814   0.058983
-    1SOL     H6    6   0.182499  -0.317939   0.142925
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/221/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.066155   0.042224  -0.054799
-    0SOL     H3    3  -0.000175   0.050996   0.081004
-    1SOL     O4    4  -0.180485   0.183400  -0.099058
-    1SOL     H5    5  -0.137915   0.103829  -0.067141
-    1SOL     H6    6  -0.270084   0.156309  -0.119068
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.017288  -0.078091  -0.052585
-    0SOL     H3    3  -0.023652  -0.025415   0.089202
-    1SOL     O4    4   0.278386  -0.015848   0.004994
-    1SOL     H5    5   0.276357  -0.101491  -0.037708
-    1SOL     H6    6   0.186621   0.011056   0.009192
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082818   0.041913  -0.023384
-    0SOL     H3    3  -0.066721   0.065382  -0.020876
-    1SOL     O4    4  -0.172275   0.183800  -0.093234
-    1SOL     H5    5  -0.267841   0.187687  -0.089447
-    1SOL     H6    6  -0.152059   0.180965  -0.186752
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/224/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.025709  -0.083751  -0.038564
-    0SOL     H3    3  -0.095481  -0.004289   0.005231
-    1SOL     O4    4   0.037939  -0.309361   0.159932
-    1SOL     H5    5   0.031869  -0.294411   0.065582
-    1SOL     H6    6   0.131929  -0.310969   0.177977
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/225/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091861   0.002508  -0.026788
-    0SOL     H3    3  -0.047407  -0.025372  -0.079190
-    1SOL     O4    4  -0.063171   0.266316  -0.193169
-    1SOL     H5    5  -0.153927   0.269633  -0.162928
-    1SOL     H6    6  -0.011154   0.264614  -0.112834
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/226/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083711   0.023745  -0.039886
-    0SOL     H3    3  -0.017674   0.070394   0.062407
-    1SOL     O4    4   0.011129   0.184096   0.192460
-    1SOL     H5    5   0.073964   0.163299   0.261609
-    1SOL     H6    6  -0.001019   0.278832   0.198771
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051463   0.013701   0.079537
-    0SOL     H3    3   0.045573   0.050798  -0.067119
-    1SOL     O4    4   0.169244  -0.046494   0.232375
-    1SOL     H5    5   0.244743  -0.060078   0.175124
-    1SOL     H6    6   0.184525  -0.105044   0.306543
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/228/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.016221   0.094287  -0.003023
-    0SOL     H3    3  -0.090745  -0.009678  -0.028880
-    1SOL     O4    4  -0.001044  -0.215999   0.196328
-    1SOL     H5    5   0.033941  -0.144179   0.143601
-    1SOL     H6    6  -0.002793  -0.290883   0.136733
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.032935   0.084750   0.029916
-    0SOL     H3    3   0.094871   0.011603  -0.005212
-    1SOL     O4    4  -0.149103   0.175166   0.149420
-    1SOL     H5    5  -0.233889   0.150647   0.112372
-    1SOL     H6    6  -0.139389   0.119033   0.226343
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.054400  -0.007074   0.078441
-    0SOL     H3    3  -0.033515   0.077220  -0.045564
-    1SOL     O4    4  -0.200371   0.178708  -0.101364
-    1SOL     H5    5  -0.177062   0.159282  -0.192147
-    1SOL     H6    6  -0.208330   0.274054  -0.098506
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077099  -0.017171   0.054066
-    0SOL     H3    3   0.029829   0.063893  -0.064732
-    1SOL     O4    4  -0.148595  -0.359001   0.064435
-    1SOL     H5    5  -0.165183  -0.427171  -0.000681
-    1SOL     H6    6  -0.053546  -0.359235   0.075745
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017652   0.071433  -0.061221
-    0SOL     H3    3  -0.095250  -0.000517   0.009456
-    1SOL     O4    4   0.144767  -0.204471  -0.133383
-    1SOL     H5    5   0.082046  -0.177792  -0.066178
-    1SOL     H6    6   0.147644  -0.299934  -0.126982
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007171  -0.073900   0.060413
-    0SOL     H3    3   0.069213  -0.025503  -0.061004
-    1SOL     O4    4  -0.113703  -0.307833  -0.074404
-    1SOL     H5    5  -0.145511  -0.313406  -0.164512
-    1SOL     H6    6  -0.157876  -0.379520  -0.028884
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074975  -0.039853   0.044190
-    0SOL     H3    3  -0.001000  -0.037924  -0.087881
-    1SOL     O4    4  -0.133290   0.104041  -0.305566
-    1SOL     H5    5  -0.042790   0.131486  -0.320356
-    1SOL     H6    6  -0.174356   0.178988  -0.262452
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.092835   0.005496   0.022667
-    0SOL     H3    3   0.030994  -0.078765   0.044696
-    1SOL     O4    4   0.173920  -0.162710   0.140094
-    1SOL     H5    5   0.268932  -0.154936   0.131455
-    1SOL     H6    6   0.157635  -0.154719   0.234079
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.078840   0.008962   0.053537
-    0SOL     H3    3   0.013510   0.060503  -0.072932
-    1SOL     O4    4  -0.020176  -0.188972  -0.228843
-    1SOL     H5    5   0.043916  -0.136538  -0.276857
-    1SOL     H6    6  -0.026857  -0.146365  -0.143390
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.073162  -0.029313  -0.054318
-    0SOL     H3    3  -0.004311  -0.055356   0.077970
-    1SOL     O4    4  -0.007365   0.281122   0.008219
-    1SOL     H5    5  -0.026127   0.190514   0.032722
-    1SOL     H6    6  -0.028835   0.332055   0.086367
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.070944   0.038641   0.051343
-    0SOL     H3    3   0.079788   0.025449   0.046353
-    1SOL     O4    4   0.303463  -0.182533   0.111707
-    1SOL     H5    5   0.225105  -0.178178   0.166509
-    1SOL     H6    6   0.282328  -0.247577   0.044738
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021870   0.073345   0.057485
-    0SOL     H3    3   0.095410   0.002764  -0.007190
-    1SOL     O4    4   0.144232   0.269728   0.079993
-    1SOL     H5    5   0.228226   0.292102   0.039909
-    1SOL     H6    6   0.079690   0.286197   0.011251
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.023936   0.076950  -0.051654
-    0SOL     H3    3  -0.057141   0.003857   0.076696
-    1SOL     O4    4  -0.043535  -0.266839   0.145037
-    1SOL     H5    5  -0.020634  -0.320490   0.220928
-    1SOL     H6    6   0.004489  -0.306408   0.072303
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011567  -0.077996  -0.054269
-    0SOL     H3    3  -0.006765  -0.033708   0.089333
-    1SOL     O4    4   0.104013  -0.186653  -0.241468
-    1SOL     H5    5   0.121097  -0.277047  -0.267914
-    1SOL     H6    6   0.178086  -0.137045  -0.276316
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.067831   0.015655  -0.065698
-    0SOL     H3    3  -0.081647  -0.002396  -0.049904
-    1SOL     O4    4  -0.158288  -0.327511  -0.060728
-    1SOL     H5    5  -0.191360  -0.412828  -0.032630
-    1SOL     H6    6  -0.190770  -0.266259   0.005267
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.069650   0.032710   0.056932
-    0SOL     H3    3  -0.080928   0.020899   0.046650
-    1SOL     O4    4  -0.098235  -0.158785  -0.219662
-    1SOL     H5    5  -0.104508  -0.086911  -0.156756
-    1SOL     H6    6  -0.004482  -0.167478  -0.236899
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.014518  -0.091634  -0.023552
-    0SOL     H3    3   0.005178   0.045809  -0.083887
-    1SOL     O4    4   0.157685   0.173369   0.115419
-    1SOL     H5    5   0.120543   0.184072   0.202988
-    1SOL     H6    6   0.105915   0.103282   0.075796
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.035281   0.024947   0.085412
-    0SOL     H3    3   0.090436   0.031335   0.001309
-    1SOL     O4    4   0.079440  -0.109376  -0.292480
-    1SOL     H5    5   0.109345  -0.130134  -0.381008
-    1SOL     H6    6   0.141660  -0.043861  -0.260876
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.081882  -0.009739  -0.048608
-    0SOL     H3    3   0.067088   0.009362  -0.067630
-    1SOL     O4    4  -0.191303   0.000042  -0.194325
-    1SOL     H5    5  -0.180321   0.074743  -0.253160
-    1SOL     H6    6  -0.286105  -0.009950  -0.185662
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.048363  -0.058763   0.058054
-    0SOL     H3    3  -0.005078  -0.041701  -0.086009
-    1SOL     O4    4  -0.016701   0.257741   0.014184
-    1SOL     H5    5   0.065987   0.279943   0.056986
-    1SOL     H6    6  -0.011886   0.163160   0.000272
-  3.000000   3.000000   3.000000
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.023777   0.266142   0.229805
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-    6
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-    1SOL     H5    5  -0.007658  -0.227661  -0.161303
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-    6
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-    0SOL     H3    3   0.023726   0.016587   0.091237
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-    1SOL     H5    5  -0.297267  -0.080145   0.098270
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-    6
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-    6
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-    1SOL     H5    5  -0.201011  -0.055397  -0.286108
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.004640   0.032303   0.089985
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-    1SOL     H5    5   0.091902   0.170559   0.288568
-    1SOL     H6    6  -0.012581   0.232887   0.198471
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-    6
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-    0SOL     H2    2   0.017962  -0.074455  -0.057412
-    0SOL     H3    3   0.065842  -0.006595   0.069164
-    1SOL     O4    4  -0.129630  -0.319832  -0.086963
-    1SOL     H5    5  -0.207743  -0.305807  -0.033447
-    1SOL     H6    6  -0.124941  -0.242580  -0.143288
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004110  -0.030573   0.090613
-    0SOL     H3    3   0.006680   0.095224   0.007081
-    1SOL     O4    4   0.091488   0.077873  -0.275332
-    1SOL     H5    5  -0.004152   0.079393  -0.271726
-    1SOL     H6    6   0.119145   0.091968  -0.184785
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084933  -0.027786  -0.034303
-    0SOL     H3    3  -0.001366   0.095456  -0.006970
-    1SOL     O4    4   0.039554   0.280059  -0.017056
-    1SOL     H5    5  -0.038001   0.319491  -0.056964
-    1SOL     H6    6   0.035705   0.307084   0.074689
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079990  -0.015860   0.050124
-    0SOL     H3    3   0.019089   0.092750   0.013981
-    1SOL     O4    4  -0.120450   0.136820  -0.289531
-    1SOL     H5    5  -0.024931   0.143016  -0.289606
-    1SOL     H6    6  -0.150314   0.226626  -0.275204
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.095302  -0.008799  -0.001561
-    0SOL     H3    3  -0.024537   0.011597  -0.091792
-    1SOL     O4    4  -0.136428   0.049362  -0.211770
-    1SOL     H5    5  -0.210746   0.017355  -0.160636
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.010893  -0.041750   0.085444
-    1SOL     O4    4  -0.112142   0.165673  -0.283567
-    1SOL     H5    5  -0.113576   0.206774  -0.197132
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.316709   0.117123  -0.072260
-    1SOL     H5    5   0.328464   0.187976  -0.135537
-    1SOL     H6    6   0.241775   0.144412  -0.019321
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.002969  -0.093693  -0.019370
-    1SOL     O4    4   0.290149  -0.141860  -0.109077
-    1SOL     H5    5   0.370526  -0.145437  -0.160934
-    1SOL     H6    6   0.292769  -0.056105  -0.066632
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.007850   0.090062  -0.031456
-    0SOL     H3    3  -0.002259  -0.053431  -0.079387
-    1SOL     O4    4   0.009481   0.149682  -0.269207
-    1SOL     H5    5   0.095934   0.116977  -0.294077
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.012285   0.087314   0.037251
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-    1SOL     H5    5   0.093995   0.300153  -0.040178
-    1SOL     H6    6  -0.000795   0.287212   0.077151
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.315412   0.128206   0.055161
-    1SOL     H5    5  -0.237355   0.162112   0.011346
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.176663  -0.215922   0.134447
-    1SOL     H5    5  -0.168999  -0.133416   0.086527
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.116576   0.105856  -0.238380
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.343521   0.024380   0.171837
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.177239  -0.198563  -0.086676
-    1SOL     H5    5  -0.257444  -0.169794  -0.043065
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.148918   0.170861  -0.152080
-    1SOL     H5    5   0.242985   0.158511  -0.139379
-    1SOL     H6    6   0.128255   0.250234  -0.102730
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-    6
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-    1SOL     H6    6   0.016548  -0.202048   0.307878
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.295741   0.114249  -0.058359
-    1SOL     H5    5  -0.219917   0.110422  -0.116656
-    1SOL     H6    6  -0.277295   0.187672   0.000216
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.045023  -0.275707  -0.176942
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-    6
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-    0SOL     H2    2   0.035506   0.040313   0.079224
-    0SOL     H3    3  -0.074613   0.055119  -0.023604
-    1SOL     O4    4   0.004435   0.216878   0.189644
-    1SOL     H5    5   0.013866   0.267267   0.108808
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.077797   0.054120   0.013451
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-    1SOL     H5    5   0.258699   0.174792   0.143607
-    1SOL     H6    6   0.118174   0.189430   0.197988
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.028799   0.012689   0.090399
-    1SOL     O4    4   0.127707   0.018905   0.291699
-    1SOL     H5    5   0.054348  -0.042575   0.290728
-    1SOL     H6    6   0.086578   0.105339   0.292003
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.029305   0.072309   0.055452
-    1SOL     O4    4  -0.189431   0.143399   0.156743
-    1SOL     H5    5  -0.210525   0.235674   0.170985
-    1SOL     H6    6  -0.200485   0.102715   0.242678
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.025756   0.067242   0.063067
-    1SOL     O4    4  -0.141776   0.083366  -0.214732
-    1SOL     H5    5  -0.190281   0.159374  -0.182603
-    1SOL     H6    6  -0.100913   0.046180  -0.136568
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.042362   0.023289  -0.082616
-    0SOL     H3    3  -0.044429  -0.082783  -0.018313
-    1SOL     O4    4   0.130865   0.132438  -0.194028
-    1SOL     H5    5   0.225533   0.146585  -0.193628
-    1SOL     H6    6   0.108995   0.119023  -0.286245
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-    6
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-    1SOL     H5    5   0.140637  -0.138052  -0.231314
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-    6
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-    6
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-    1SOL     H5    5  -0.099774  -0.161262  -0.289850
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-    6
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-    1SOL     H5    5  -0.203227   0.119713  -0.063769
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-    6
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-    1SOL     O4    4  -0.018717   0.187694  -0.243876
-    1SOL     H5    5  -0.099623   0.191807  -0.294864
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-    6
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-    1SOL     H5    5   0.156681  -0.307094   0.109963
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-    6
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-    6
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-    1SOL     H5    5  -0.191114   0.289385  -0.120909
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.062731  -0.070405  -0.016437
-    0SOL     H3    3   0.027218  -0.012838   0.090866
-    1SOL     O4    4   0.036676   0.284918  -0.038989
-    1SOL     H5    5   0.032158   0.189916  -0.028191
-    1SOL     H6    6   0.027998   0.319603   0.049803
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-    6
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-    0SOL     H2    2   0.013595   0.057954   0.074959
-    0SOL     H3    3   0.065319   0.027986  -0.064129
-    1SOL     O4    4  -0.295226  -0.188334  -0.079338
-    1SOL     H5    5  -0.316188  -0.233033   0.002668
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.053599  -0.052788  -0.059186
-    0SOL     H3    3  -0.032176   0.089379  -0.011766
-    1SOL     O4    4   0.180020   0.333251  -0.094826
-    1SOL     H5    5   0.267524   0.359216  -0.065994
-    1SOL     H6    6   0.135669   0.305310  -0.014734
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.031305   0.012636  -0.089569
-    0SOL     H3    3   0.050579  -0.074336   0.032838
-    1SOL     O4    4  -0.084336   0.138769   0.292781
-    1SOL     H5    5  -0.094500   0.045137   0.275688
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.094258   0.002036  -0.016540
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-    1SOL     H5    5  -0.080859  -0.169774  -0.142627
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.021877   0.202329   0.230931
-    1SOL     H5    5  -0.102693   0.165162   0.266283
-    1SOL     H6    6  -0.033562   0.297008   0.238778
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-    6
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-    0SOL     H3    3  -0.010038  -0.027569   0.091113
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-    1SOL     H5    5  -0.079104  -0.166914   0.257808
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.238324  -0.169772  -0.218432
-    1SOL     H5    5  -0.144738  -0.158417  -0.235018
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086530   0.037557   0.016259
-    0SOL     H3    3  -0.022308   0.028582  -0.088587
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-    1SOL     H5    5  -0.203276  -0.164529  -0.295296
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    0SOL     H3    3   0.073597  -0.056131  -0.024396
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    1SOL     H5    5   0.077973   0.141521  -0.300545
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-    6
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-    1SOL     O4    4  -0.039166   0.066870   0.240552
-    1SOL     H5    5  -0.012424   0.040723   0.152441
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-    6
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-    1SOL     O4    4   0.268232   0.153041   0.065545
-    1SOL     H5    5   0.278436   0.225641   0.004002
-    1SOL     H6    6   0.293447   0.075437   0.015505
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.077596  -0.011047  -0.054947
-    1SOL     O4    4  -0.001483  -0.188484   0.205963
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.059504   0.030605  -0.068447
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-    1SOL     H5    5  -0.340034   0.017732   0.031610
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.039155  -0.029443   0.082234
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-    1SOL     H5    5  -0.084349   0.287427   0.077662
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.079701   0.016635   0.050332
-    1SOL     O4    4   0.020403  -0.170072  -0.235167
-    1SOL     H5    5  -0.003082  -0.259687  -0.211088
-    1SOL     H6    6   0.032225  -0.125061  -0.151522
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.012154   0.008013  -0.094607
-    1SOL     O4    4  -0.118120   0.070075  -0.262485
-    1SOL     H5    5  -0.205753   0.031687  -0.259489
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.184715   0.172473   0.100593
-    1SOL     H5    5  -0.109543   0.132513   0.056836
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077102   0.020211   0.053002
-    0SOL     H3    3   0.007619  -0.095329   0.004092
-    1SOL     O4    4  -0.045243  -0.249933   0.049595
-    1SOL     H5    5  -0.121196  -0.301011   0.077602
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.047389  -0.072690  -0.040408
-    0SOL     H3    3  -0.089839  -0.009354  -0.031682
-    1SOL     O4    4  -0.109804  -0.287439  -0.059143
-    1SOL     H5    5  -0.035785  -0.297618   0.000689
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.033948   0.068950  -0.057058
-    0SOL     H3    3  -0.001891  -0.078976  -0.054051
-    1SOL     O4    4  -0.212629   0.025916   0.195946
-    1SOL     H5    5  -0.208661  -0.052976   0.250008
-    1SOL     H6    6  -0.145949   0.012266   0.128642
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.047010   0.055861   0.061903
-    0SOL     H3    3  -0.092263   0.021708   0.013367
-    1SOL     O4    4  -0.118856   0.152451   0.288022
-    1SOL     H5    5  -0.201335   0.184936   0.324138
-    1SOL     H6    6  -0.052709   0.178361   0.352175
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H6    6   0.193459  -0.215298   0.125071
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-    6
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-    1SOL     H5    5  -0.195704  -0.226434  -0.037037
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.022511  -0.254112  -0.266618
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-    6
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-    0SOL     H3    3   0.037621   0.071238   0.051693
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-    1SOL     H5    5   0.191125  -0.036118  -0.154984
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-    6
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-    0SOL     H2    2   0.030697   0.040059  -0.081335
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-    1SOL     H5    5   0.094394  -0.254148  -0.171989
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.190407   0.022374  -0.211888
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-    1SOL     H6    6  -0.213494   0.095872  -0.268698
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.089557   0.025261  -0.022443
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-    1SOL     H6    6   0.054787   0.105845   0.162999
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048969  -0.058772  -0.057534
-    0SOL     H3    3  -0.091309  -0.026745  -0.010469
-    1SOL     O4    4   0.195342   0.219549   0.126659
-    1SOL     H5    5   0.267843   0.225648   0.188858
-    1SOL     H6    6   0.226942   0.264800   0.048454
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.062660   0.069595  -0.019815
-    0SOL     H3    3   0.085587   0.042527  -0.005350
-    1SOL     O4    4  -0.314125  -0.022938  -0.163663
-    1SOL     H5    5  -0.266171  -0.105001  -0.152332
-    1SOL     H6    6  -0.405326  -0.049779  -0.174808
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.058580  -0.074876   0.011150
-    0SOL     H3    3   0.036563   0.067755   0.056875
-    1SOL     O4    4   0.210975  -0.125549   0.125856
-    1SOL     H5    5   0.280408  -0.084520   0.074301
-    1SOL     H6    6   0.233533  -0.218569   0.126766
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087161   0.025375  -0.030353
-    0SOL     H3    3   0.005742  -0.094654   0.013038
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-    1SOL     H5    5   0.022413  -0.323191   0.062438
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.025938  -0.090877   0.015197
-    0SOL     H3    3   0.043370   0.023961  -0.081897
-    1SOL     O4    4   0.075238  -0.272599   0.029785
-    1SOL     H5    5   0.011661  -0.334775   0.065204
-    1SOL     H6    6   0.104292  -0.312173  -0.052386
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.022780  -0.071949   0.058879
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-    1SOL     H5    5   0.104308  -0.028804  -0.164959
-    1SOL     H6    6   0.244455  -0.075535  -0.131887
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094634   0.014237   0.002024
-    0SOL     H3    3   0.029252   0.020463   0.088814
-    1SOL     O4    4   0.041293   0.305687   0.151835
-    1SOL     H5    5   0.015548   0.218540   0.181917
-    1SOL     H6    6   0.136948   0.302999   0.149549
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.035532  -0.004361  -0.088774
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-    1SOL     O4    4  -0.017489  -0.282093  -0.113877
-    1SOL     H5    5  -0.035893  -0.207489  -0.170955
-    1SOL     H6    6   0.074390  -0.271386  -0.089263
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    1SOL     O4    4   0.286978  -0.037881   0.140586
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.171054   0.001995  -0.026486
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.193413   0.091195  -0.088060
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.220941   0.004789  -0.197931
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.108220  -0.006568   0.286666
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-    6
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-    1SOL     H5    5   0.072642  -0.133207   0.260838
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.091507  -0.104020   0.271518
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.013164   0.080034   0.050829
-    1SOL     O4    4   0.110403   0.218437  -0.218419
-    1SOL     H5    5   0.049744   0.231027  -0.291386
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5   0.213015   0.143953   0.283469
-    1SOL     H6    6   0.202900   0.270488   0.200972
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.015348  -0.035544   0.087541
-    0SOL     H3    3   0.070477  -0.053977  -0.035801
-    1SOL     O4    4  -0.076419  -0.155609   0.197517
-    1SOL     H5    5  -0.167047  -0.127258   0.209559
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.075756   0.013400   0.056955
-    0SOL     H3    3   0.051587  -0.067464   0.044156
-    1SOL     O4    4  -0.203484   0.112071   0.114637
-    1SOL     H5    5  -0.189995   0.162251   0.195026
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010569  -0.006925   0.094882
-    0SOL     H3    3   0.094075  -0.010139  -0.014472
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-    1SOL     H5    5   0.189765  -0.145119  -0.127836
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     O4    4   0.262104  -0.061025   0.006109
-    1SOL     H5    5   0.310063  -0.030189   0.082995
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-    6
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-    1SOL     O4    4  -0.028264  -0.286604   0.010049
-    1SOL     H5    5  -0.053169  -0.333102  -0.069826
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-    6
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-    1SOL     O4    4   0.078320   0.211299   0.189941
-    1SOL     H5    5   0.014558   0.170004   0.131704
-    1SOL     H6    6   0.045744   0.300522   0.201786
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-    6
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-    0SOL     H3    3  -0.011863  -0.003236   0.094927
-    1SOL     O4    4   0.015682  -0.056723   0.257063
-    1SOL     H5    5  -0.003966  -0.111012   0.333411
-    1SOL     H6    6   0.060748   0.019727   0.292934
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.041646  -0.011743   0.085382
-    0SOL     H3    3  -0.022316   0.093026  -0.003225
-    1SOL     O4    4  -0.298400   0.013508  -0.092150
-    1SOL     H5    5  -0.294295  -0.080869  -0.107596
-    1SOL     H6    6  -0.288620   0.022763   0.002618
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.084934   0.039895   0.018890
-    0SOL     H3    3   0.059948   0.040312   0.062797
-    1SOL     O4    4  -0.251110   0.042525  -0.150948
-    1SOL     H5    5  -0.222237  -0.037023  -0.195678
-    1SOL     H6    6  -0.327371   0.071784  -0.200852
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.011632  -0.009450   0.094539
-    0SOL     H3    3   0.019395   0.092880  -0.012628
-    1SOL     O4    4   0.122452   0.205069  -0.153189
-    1SOL     H5    5   0.127222   0.165914  -0.240403
-    1SOL     H6    6   0.147384   0.296515  -0.166540
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045361  -0.076421   0.035560
-    0SOL     H3    3  -0.092286  -0.025369  -0.001399
-    1SOL     O4    4   0.154285   0.015753  -0.218153
-    1SOL     H5    5   0.130659  -0.076398  -0.228752
-    1SOL     H6    6   0.108978   0.043124  -0.138400
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.299634  -0.113260   0.075973
-    1SOL     H5    5   0.335009  -0.033550   0.036511
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.014052  -0.091982  -0.022451
-    1SOL     O4    4  -0.000588  -0.239051   0.197808
-    1SOL     H5    5   0.090398  -0.224935   0.223973
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.055563  -0.028661  -0.072482
-    0SOL     H3    3   0.057053  -0.003423   0.076782
-    1SOL     O4    4   0.299207   0.074915  -0.093961
-    1SOL     H5    5   0.334008   0.134520  -0.160282
-    1SOL     H6    6   0.312079   0.121065  -0.011095
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.050336  -0.064030   0.050287
-    0SOL     H3    3   0.088810  -0.006341   0.035141
-    1SOL     O4    4  -0.150117  -0.160518   0.166752
-    1SOL     H5    5  -0.149940  -0.226810   0.097704
-    1SOL     H6    6  -0.241189  -0.131514   0.171941
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079235   0.052152  -0.012820
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-    1SOL     O4    4  -0.147221   0.134851   0.184876
-    1SOL     H5    5  -0.180706   0.215035   0.144731
-    1SOL     H6    6  -0.083286   0.101411   0.121976
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.093453   0.264618   0.043463
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-    6
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-    1SOL     H5    5   0.103320  -0.070070  -0.285564
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.070442   0.004558  -0.297903
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-    6
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-    1SOL     H5    5   0.122275   0.146444   0.027753
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.218627   0.194177   0.117418
-    1SOL     H5    5  -0.287112   0.135784   0.084823
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.165667   0.158739  -0.160167
-    1SOL     H5    5  -0.205413   0.209417  -0.089355
-    1SOL     H6    6  -0.122483   0.085602  -0.116026
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.037582   0.067384   0.056651
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-    6
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-    1SOL     H5    5  -0.119475   0.187998   0.129341
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-    6
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-    1SOL     H5    5  -0.059385  -0.149707  -0.260926
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-    6
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-    1SOL     H5    5  -0.176763  -0.093370  -0.310206
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-    6
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-    1SOL     H5    5  -0.213603  -0.033465  -0.286592
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.215134  -0.191836   0.199604
-    1SOL     H5    5   0.192748  -0.216871   0.109969
-    1SOL     H6    6   0.130719  -0.183121   0.243880
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.030532  -0.073616   0.053017
-    0SOL     H3    3  -0.054196   0.073793   0.027924
-    1SOL     O4    4   0.267209   0.051704   0.017509
-    1SOL     H5    5   0.345877   0.000736   0.036898
-    1SOL     H6    6   0.194775  -0.004788   0.044422
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.000573   0.094267   0.016605
-    0SOL     H3    3  -0.092135  -0.021163  -0.015022
-    1SOL     O4    4   0.367500  -0.038667  -0.092523
-    1SOL     H5    5   0.316821  -0.104773  -0.045365
-    1SOL     H6    6   0.372962  -0.071996  -0.182086
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.078126  -0.001148  -0.055293
-    0SOL     H3    3  -0.005750   0.082642   0.047953
-    1SOL     O4    4  -0.172088  -0.082968  -0.236690
-    1SOL     H5    5  -0.266239  -0.065865  -0.239009
-    1SOL     H6    6  -0.152090  -0.118913  -0.323121
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.050683  -0.053885   0.060746
-    0SOL     H3    3   0.002638  -0.048121  -0.082703
-    1SOL     O4    4  -0.134642   0.111812   0.325465
-    1SOL     H5    5  -0.158556   0.032027   0.372633
-    1SOL     H6    6  -0.177228   0.102960   0.240199
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093484   0.013869   0.015190
-    0SOL     H3    3   0.004017  -0.047892  -0.082780
-    1SOL     O4    4   0.067371   0.243153  -0.121551
-    1SOL     H5    5   0.001206   0.290899  -0.071503
-    1SOL     H6    6   0.058110   0.152265  -0.092986
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-    6
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-    6
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-    1SOL     H5    5   0.180529   0.026488  -0.019127
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-    6
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-    1SOL     H5    5  -0.204254   0.145487   0.192662
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-    6
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-    0SOL     H2    2   0.083464   0.046852  -0.000976
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-    1SOL     O4    4   0.158075  -0.184763  -0.165809
-    1SOL     H5    5   0.203398  -0.126385  -0.226638
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-    6
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-    1SOL     O4    4  -0.109496   0.109823   0.217523
-    1SOL     H5    5  -0.055743   0.120970   0.295936
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-    6
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-    6
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-    1SOL     H5    5   0.058114   0.280368  -0.174548
-    1SOL     H6    6   0.031171   0.291536  -0.025994
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-    6
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-    1SOL     O4    4  -0.273329   0.041079   0.016672
-    1SOL     H5    5  -0.317166   0.069872  -0.063400
-    1SOL     H6    6  -0.344711   0.020007   0.076863
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-    6
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-    0SOL     H2    2   0.012320  -0.065936  -0.068286
-    0SOL     H3    3  -0.091464  -0.009702   0.026507
-    1SOL     O4    4   0.098312  -0.213938   0.142970
-    1SOL     H5    5   0.062244  -0.133770   0.105094
-    1SOL     H6    6   0.085588  -0.203753   0.237292
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.074767  -0.051840   0.029748
-    0SOL     H3    3   0.036546   0.059399  -0.065563
-    1SOL     O4    4   0.287313   0.040343  -0.168824
-    1SOL     H5    5   0.254538   0.129975  -0.176182
-    1SOL     H6    6   0.264198  -0.000583  -0.252209
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.073522   0.056521   0.023711
-    0SOL     H3    3  -0.074893   0.059305  -0.006027
-    1SOL     O4    4   0.252582   0.130592   0.009492
-    1SOL     H5    5   0.313500   0.178601   0.065585
-    1SOL     H6    6   0.195531   0.198089  -0.027271
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.010663   0.074203  -0.059519
-    0SOL     H3    3  -0.055631   0.021174   0.074961
-    1SOL     O4    4   0.044433  -0.394838  -0.049273
-    1SOL     H5    5   0.034546  -0.375022  -0.142397
-    1SOL     H6    6   0.136019  -0.421039  -0.039904
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.051442  -0.060636   0.053286
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-    1SOL     O4    4   0.061099   0.277265  -0.010741
-    1SOL     H5    5   0.026633   0.189526   0.005879
-    1SOL     H6    6   0.020737   0.303639  -0.093431
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.041353   0.066936  -0.054514
-    0SOL     H3    3  -0.000162   0.037356   0.088130
-    1SOL     O4    4  -0.059729   0.216366   0.153782
-    1SOL     H5    5  -0.129043   0.254514   0.099905
-    1SOL     H6    6  -0.106151   0.163741   0.218881
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.091869  -0.019590  -0.018401
-    0SOL     H3    3  -0.001375   0.087696   0.038340
-    1SOL     O4    4   0.090319   0.172770   0.336373
-    1SOL     H5    5   0.086983   0.202221   0.245358
-    1SOL     H6    6   0.015594   0.215545   0.378193
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.074923  -0.039372   0.044707
-    0SOL     H3    3   0.057566  -0.073832  -0.019933
-    1SOL     O4    4  -0.198105  -0.174305   0.081988
-    1SOL     H5    5  -0.272958  -0.196061   0.026436
-    1SOL     H6    6  -0.231406  -0.107689   0.142119
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060148  -0.001940   0.074436
-    0SOL     H3    3   0.003373  -0.090668  -0.030499
-    1SOL     O4    4  -0.168258   0.058797   0.200107
-    1SOL     H5    5  -0.182373  -0.020519   0.251798
-    1SOL     H6    6  -0.163854   0.129166   0.264845
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.083732   0.044571   0.012832
-    0SOL     H3    3  -0.060851   0.046167   0.057690
-    1SOL     O4    4  -0.019614   0.280768  -0.134844
-    1SOL     H5    5   0.037964   0.351358  -0.164240
-    1SOL     H6    6   0.027877   0.200507  -0.156413
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/412/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.045933   0.054510   0.063884
-    0SOL     H3    3   0.023516  -0.089713   0.023683
-    1SOL     O4    4  -0.016058   0.227005  -0.202697
-    1SOL     H5    5  -0.002297   0.229945  -0.297377
-    1SOL     H6    6   0.014674   0.140171  -0.176665
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079158   0.038007   0.038101
-    0SOL     H3    3  -0.005044   0.037995  -0.087711
-    1SOL     O4    4  -0.102350  -0.212942  -0.295044
-    1SOL     H5    5  -0.128452  -0.171104  -0.377084
-    1SOL     H6    6  -0.016338  -0.175785  -0.275460
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.063048  -0.112996  -0.240949
-    1SOL     H5    5   0.087505  -0.042406  -0.300792
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.045950   0.251627   0.108318
-    1SOL     H5    5   0.118398   0.266235   0.047488
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.076190   0.027905  -0.050781
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-    1SOL     O4    4   0.143342   0.189705   0.141116
-    1SOL     H5    5   0.110989   0.202213   0.230330
-    1SOL     H6    6   0.208935   0.120424   0.148868
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.022419   0.025111   0.089606
-    0SOL     H3    3  -0.032982   0.071813  -0.054013
-    1SOL     O4    4  -0.009452   0.161145  -0.205775
-    1SOL     H5    5   0.013150   0.248753  -0.174530
-    1SOL     H6    6   0.054919   0.142712  -0.274178
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.020067  -0.059855  -0.071952
-    0SOL     H3    3   0.053494  -0.031349   0.072924
-    1SOL     O4    4   0.153917   0.177424  -0.068368
-    1SOL     H5    5   0.079544   0.119767  -0.050862
-    1SOL     H6    6   0.133230   0.218457  -0.152336
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.090689   0.027972  -0.012463
-    1SOL     O4    4   0.257877   0.091755   0.035070
-    1SOL     H5    5   0.319680   0.070410   0.104977
-    1SOL     H6    6   0.272027   0.184897   0.018140
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032576  -0.077718   0.045398
-    0SOL     H3    3   0.049948   0.072471   0.037623
-    1SOL     O4    4   0.280510   0.082862   0.170224
-    1SOL     H5    5   0.349921   0.105845   0.108449
-    1SOL     H6    6   0.257095   0.165768   0.211945
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.050250  -0.068731   0.043741
-    1SOL     O4    4  -0.124388   0.075367  -0.227351
-    1SOL     H5    5  -0.093082   0.040731  -0.143789
-    1SOL     H6    6  -0.219677   0.077073  -0.218435
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020855   0.039781  -0.084528
-    0SOL     H3    3   0.089971   0.027362   0.017856
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-    1SOL     H5    5  -0.138485  -0.069572   0.075225
-    1SOL     H6    6  -0.221568  -0.044256   0.199222
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028761   0.088902  -0.020773
-    0SOL     H3    3  -0.055065  -0.056354  -0.054355
-    1SOL     O4    4   0.181250  -0.140322  -0.151991
-    1SOL     H5    5   0.106154  -0.085538  -0.129151
-    1SOL     H6    6   0.198964  -0.119708  -0.243771
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.080602   0.044257   0.026590
-    1SOL     O4    4  -0.165110   0.145366   0.133662
-    1SOL     H5    5  -0.219123   0.092826   0.192692
-    1SOL     H6    6  -0.098804   0.184680   0.190410
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.044694  -0.078278   0.032208
-    0SOL     H3    3   0.043388   0.072577   0.044860
-    1SOL     O4    4  -0.263348  -0.011741   0.038540
-    1SOL     H5    5  -0.300207   0.009860  -0.047117
-    1SOL     H6    6  -0.168833  -0.001683   0.027224
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.056480   0.029134  -0.071579
-    0SOL     H3    3  -0.078875   0.053587  -0.008333
-    1SOL     O4    4   0.038392  -0.291839  -0.081761
-    1SOL     H5    5   0.085941  -0.273071  -0.162688
-    1SOL     H6    6   0.017308  -0.205680  -0.045783
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.051560  -0.073347  -0.033528
-    0SOL     H3    3   0.061439   0.049903   0.053826
-    1SOL     O4    4  -0.073751   0.227580  -0.112368
-    1SOL     H5    5  -0.033456   0.147631  -0.078504
-    1SOL     H6    6   0.000196   0.283777  -0.135521
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018054   0.039871  -0.085127
-    0SOL     H3    3   0.072310  -0.060462  -0.016670
-    1SOL     O4    4  -0.233716   0.186433  -0.163417
-    1SOL     H5    5  -0.182509   0.225674  -0.234130
-    1SOL     H6    6  -0.230220   0.250816  -0.092672
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032524   0.068846  -0.058007
-    0SOL     H3    3  -0.050419  -0.057799  -0.057267
-    1SOL     O4    4  -0.106407  -0.216954  -0.126799
-    1SOL     H5    5  -0.162926  -0.284396  -0.089123
-    1SOL     H6    6  -0.152467  -0.188362  -0.205686
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030434  -0.008339   0.090369
-    0SOL     H3    3   0.043081  -0.071694  -0.046544
-    1SOL     O4    4  -0.123116  -0.308476  -0.093080
-    1SOL     H5    5  -0.082679  -0.333751  -0.010083
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-    6
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-    1SOL     O4    4  -0.136663   0.118825   0.224577
-    1SOL     H5    5  -0.089503   0.121776   0.307821
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-    6
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-    0SOL     H2    2  -0.074304  -0.052198  -0.030275
-    0SOL     H3    3  -0.037736   0.060919   0.063461
-    1SOL     O4    4  -0.172090  -0.141320  -0.132007
-    1SOL     H5    5  -0.185729  -0.209775  -0.066507
-    1SOL     H6    6  -0.115499  -0.181886  -0.197689
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.034523   0.037994   0.080789
-    0SOL     H3    3  -0.075219  -0.003104  -0.059117
-    1SOL     O4    4   0.038540  -0.279201   0.154353
-    1SOL     H5    5   0.016935  -0.342049   0.085464
-    1SOL     H6    6   0.016373  -0.193955   0.116881
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-    6
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-    0SOL     H2    2  -0.053555  -0.079270  -0.003238
-    0SOL     H3    3   0.002663   0.030880  -0.090563
-    1SOL     O4    4  -0.006537  -0.178709   0.273796
-    1SOL     H5    5   0.056028  -0.205770   0.206598
-    1SOL     H6    6   0.001966  -0.244798   0.342514
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.032217  -0.076913   0.046997
-    0SOL     H3    3   0.062573   0.040396   0.060126
-    1SOL     O4    4   0.082172   0.282443   0.082461
-    1SOL     H5    5   0.122557   0.367538   0.099497
-    1SOL     H6    6   0.139962   0.240826   0.018502
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/436/qchem.out: Frame 1 of 1
-    6
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-    0SOL     H2    2   0.022578   0.080095  -0.047301
-    0SOL     H3    3  -0.017808  -0.064231  -0.068699
-    1SOL     O4    4  -0.119577  -0.180440   0.204957
-    1SOL     H5    5  -0.081603  -0.190908   0.292196
-    1SOL     H6    6  -0.087104  -0.095645   0.174665
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004795  -0.035944   0.088585
-    0SOL     H3    3  -0.012965   0.094131   0.011561
-    1SOL     O4    4   0.208385  -0.165819  -0.073972
-    1SOL     H5    5   0.133213  -0.106661  -0.077398
-    1SOL     H6    6   0.183779  -0.239178  -0.130323
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001303   0.031316   0.090443
-    0SOL     H3    3  -0.050674  -0.081182   0.001980
-    1SOL     O4    4   0.044126   0.097628   0.252812
-    1SOL     H5    5   0.076317   0.174905   0.299227
-    1SOL     H6    6  -0.037578   0.075188   0.297346
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/439/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001701  -0.073422  -0.061390
-    0SOL     H3    3   0.086266  -0.005127   0.041161
-    1SOL     O4    4   0.084106   0.082003  -0.307301
-    1SOL     H5    5  -0.011352   0.086815  -0.302105
-    1SOL     H6    6   0.110005   0.163940  -0.349464
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/440/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060479   0.069367   0.026322
-    0SOL     H3    3   0.064136  -0.004116   0.070936
-    1SOL     O4    4  -0.212914   0.175711   0.022281
-    1SOL     H5    5  -0.302010   0.142066   0.012676
-    1SOL     H6    6  -0.214022   0.259912  -0.023230
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/441/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.080127   0.006609   0.051944
-    0SOL     H3    3  -0.021368   0.043231  -0.082685
-    1SOL     O4    4   0.267542   0.000112   0.047921
-    1SOL     H5    5   0.271014  -0.051376   0.128539
-    1SOL     H6    6   0.174444   0.018240   0.035014
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/442/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042022   0.019994  -0.083646
-    0SOL     H3    3  -0.065428   0.023242   0.065888
-    1SOL     O4    4  -0.059434  -0.004096  -0.278051
-    1SOL     H5    5  -0.155076  -0.005229  -0.274354
-    1SOL     H6    6  -0.037007   0.088055  -0.290995
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/443/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.038241   0.044923   0.075378
-    0SOL     H3    3   0.024870   0.053805  -0.075158
-    1SOL     O4    4   0.019702   0.100404   0.260228
-    1SOL     H5    5   0.043428   0.017045   0.300857
-    1SOL     H6    6   0.096710   0.155898   0.272577
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/444/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.003350  -0.028411  -0.091345
-    0SOL     H3    3   0.001258   0.095604  -0.004541
-    1SOL     O4    4   0.018383  -0.324587  -0.082787
-    1SOL     H5    5  -0.018811  -0.408871  -0.056806
-    1SOL     H6    6   0.065409  -0.294157  -0.005166
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/445/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.004111   0.042631  -0.085604
-    0SOL     H3    3  -0.030964   0.066534   0.061455
-    1SOL     O4    4   0.133734  -0.026537   0.381676
-    1SOL     H5    5   0.159144   0.021086   0.460725
-    1SOL     H6    6   0.202344  -0.005978   0.318176
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/446/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093409   0.000202   0.020905
-    0SOL     H3    3  -0.041999  -0.035985   0.078124
-    1SOL     O4    4   0.245408   0.015098   0.087944
-    1SOL     H5    5   0.231501   0.091770   0.143534
-    1SOL     H6    6   0.314441   0.041697   0.027205
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/447/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.020546   0.083029  -0.042969
-    0SOL     H3    3  -0.033164  -0.066879  -0.059913
-    1SOL     O4    4   0.237960   0.102970   0.111296
-    1SOL     H5    5   0.252498   0.181572   0.058640
-    1SOL     H6    6   0.158467   0.064039   0.074860
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/448/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.000846   0.068839  -0.066504
-    0SOL     H3    3  -0.055981   0.033575   0.070008
-    1SOL     O4    4   0.036650   0.223301  -0.144856
-    1SOL     H5    5  -0.037492   0.224291  -0.205389
-    1SOL     H6    6   0.048509   0.314956  -0.119934
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/449/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018221   0.008442   0.093590
-    0SOL     H3    3  -0.033067   0.081248  -0.038311
-    1SOL     O4    4  -0.093410   0.207185  -0.158116
-    1SOL     H5    5  -0.034464   0.270576  -0.117259
-    1SOL     H6    6  -0.088108   0.226364  -0.251745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/450/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021459  -0.023998   0.090144
-    0SOL     H3    3  -0.012060   0.094907  -0.003088
-    1SOL     O4    4  -0.198764  -0.033429  -0.192733
-    1SOL     H5    5  -0.147548  -0.028842  -0.111998
-    1SOL     H6    6  -0.179381  -0.120048  -0.228561
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/451/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.049884   0.045157  -0.068078
-    0SOL     H3    3  -0.026466   0.042715   0.081470
-    1SOL     O4    4   0.252715  -0.082951  -0.002215
-    1SOL     H5    5   0.268472  -0.103211   0.090000
-    1SOL     H6    6   0.164304  -0.046308  -0.003968
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.021014   0.092301  -0.014186
-    0SOL     H3    3   0.038452  -0.045187  -0.075113
-    1SOL     O4    4   0.053610   0.229145  -0.169484
-    1SOL     H5    5   0.047939   0.320696  -0.142125
-    1SOL     H6    6   0.143994   0.218518  -0.199152
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/453/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018541  -0.031455  -0.088482
-    0SOL     H3    3  -0.031382   0.090429   0.000390
-    1SOL     O4    4   0.098625   0.111172  -0.367104
-    1SOL     H5    5   0.070437   0.022812  -0.343435
-    1SOL     H6    6   0.191495   0.113715  -0.344060
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/454/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.047007  -0.050665   0.066225
-    0SOL     H3    3  -0.000099  -0.056114  -0.077547
-    1SOL     O4    4   0.039095   0.269376  -0.009569
-    1SOL     H5    5  -0.010606   0.331373   0.043802
-    1SOL     H6    6  -0.007241   0.186261   0.000786
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015285  -0.051175  -0.079434
-    0SOL     H3    3  -0.089873  -0.021154   0.025253
-    1SOL     O4    4   0.176970  -0.250824   0.098725
-    1SOL     H5    5   0.131103  -0.174509   0.063588
-    1SOL     H6    6   0.135515  -0.325631   0.055740
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/456/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.053439   0.069384  -0.038633
-    0SOL     H3    3   0.062054  -0.070396   0.018868
-    1SOL     O4    4  -0.294361   0.233926   0.056721
-    1SOL     H5    5  -0.240019   0.226932  -0.021767
-    1SOL     H6    6  -0.260190   0.310538   0.102821
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.004420   0.044526   0.084618
-    0SOL     H3    3  -0.093642  -0.007095  -0.018522
-    1SOL     O4    4   0.253002  -0.093440  -0.039930
-    1SOL     H5    5   0.174253  -0.039089  -0.037316
-    1SOL     H6    6   0.324959  -0.032178  -0.024712
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.061867  -0.073034  -0.000884
-    0SOL     H3    3   0.014796   0.020038  -0.092422
-    1SOL     O4    4   0.075908  -0.233310  -0.273128
-    1SOL     H5    5   0.156774  -0.194387  -0.239841
-    1SOL     H6    6   0.051752  -0.178370  -0.347696
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/459/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028838  -0.086863   0.028026
-    0SOL     H3    3   0.015243  -0.008967  -0.094072
-    1SOL     O4    4   0.240940   0.077920   0.097470
-    1SOL     H5    5   0.168598   0.045910   0.043579
-    1SOL     H6    6   0.208194   0.159338   0.135693
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/460/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086707  -0.004849  -0.040258
-    0SOL     H3    3  -0.021489  -0.090717   0.021703
-    1SOL     O4    4   0.108552   0.279741   0.180727
-    1SOL     H5    5   0.132807   0.372218   0.185415
-    1SOL     H6    6   0.017570   0.280271   0.150989
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.033812  -0.080596   0.039029
-    0SOL     H3    3  -0.077890   0.046082  -0.031176
-    1SOL     O4    4  -0.205537   0.138930  -0.104246
-    1SOL     H5    5  -0.151048   0.201053  -0.152557
-    1SOL     H6    6  -0.266043   0.104099  -0.169730
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077593   0.051899  -0.021170
-    0SOL     H3    3   0.053802   0.003921  -0.079072
-    1SOL     O4    4  -0.040448  -0.226455   0.156306
-    1SOL     H5    5  -0.013820  -0.148194   0.108051
-    1SOL     H6    6  -0.013574  -0.209300   0.246561
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/463/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.062377   0.008325  -0.072126
-    0SOL     H3    3  -0.077853   0.046872  -0.030070
-    1SOL     O4    4  -0.265084   0.082764  -0.018906
-    1SOL     H5    5  -0.302101   0.162799  -0.056142
-    1SOL     H6    6  -0.341252   0.029844   0.004763
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/464/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.086783  -0.016303   0.036949
-    0SOL     H3    3   0.043311   0.056124   0.064317
-    1SOL     O4    4   0.083629   0.185451   0.221002
-    1SOL     H5    5   0.179175   0.184591   0.215305
-    1SOL     H6    6   0.064857   0.164670   0.312533
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.093057  -0.019377  -0.011278
-    0SOL     H3    3   0.005393   0.095447  -0.004802
-    1SOL     O4    4  -0.112232  -0.225715   0.227821
-    1SOL     H5    5  -0.147913  -0.233351   0.139329
-    1SOL     H6    6  -0.106899  -0.131438   0.243495
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.017427  -0.081659   0.046802
-    0SOL     H3    3   0.070348   0.006106  -0.064623
-    1SOL     O4    4   0.193055   0.055401  -0.179621
-    1SOL     H5    5   0.288087   0.044198  -0.181993
-    1SOL     H6    6   0.162837   0.022007  -0.264084
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/467/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082314   0.029741  -0.038757
-    0SOL     H3    3   0.026272  -0.046233   0.079590
-    1SOL     O4    4   0.130868  -0.212061   0.132724
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-    6
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-    1SOL     O4    4   0.030810  -0.130966  -0.258598
-    1SOL     H5    5   0.022462  -0.161652  -0.348881
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-    6
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-    0SOL     H3    3   0.026849   0.090187  -0.017544
-    1SOL     O4    4   0.229509  -0.245074   0.131068
-    1SOL     H5    5   0.194632  -0.259479   0.043100
-    1SOL     H6    6   0.275801  -0.161502   0.125143
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-    6
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-    0SOL     H3    3   0.070672  -0.034673   0.054457
-    1SOL     O4    4  -0.106815  -0.177378  -0.193406
-    1SOL     H5    5  -0.066560  -0.142301  -0.113960
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-    6
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-    1SOL     O4    4   0.167985  -0.076133  -0.211754
-    1SOL     H5    5   0.200427   0.003321  -0.254143
-    1SOL     H6    6   0.246824  -0.126690  -0.191987
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-    6
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-    1SOL     O4    4   0.055886   0.301838  -0.004319
-    1SOL     H5    5   0.083380   0.216025   0.027969
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-    6
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-    1SOL     O4    4   0.218283  -0.010003   0.172187
-    1SOL     H5    5   0.282556  -0.080506   0.179977
-    1SOL     H6    6   0.255356   0.062012   0.223194
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-    6
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-    0SOL     H3    3  -0.035388  -0.021180  -0.086379
-    1SOL     O4    4   0.147434   0.252016  -0.170572
-    1SOL     H5    5   0.150149   0.283294  -0.080147
-    1SOL     H6    6   0.068668   0.292001  -0.207442
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-    6
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-    0SOL     H3    3   0.066306  -0.065767  -0.020989
-    1SOL     O4    4   0.315070   0.034596   0.152396
-    1SOL     H5    5   0.288460   0.080112   0.072505
-    1SOL     H6    6   0.367946  -0.039012   0.121601
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/476/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.067199  -0.063787  -0.024038
-    0SOL     H3    3  -0.048756   0.072988   0.038183
-    1SOL     O4    4  -0.207564  -0.184275  -0.056126
-    1SOL     H5    5  -0.187006  -0.261636  -0.003638
-    1SOL     H6    6  -0.284544  -0.209600  -0.107067
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/477/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.080536   0.043075  -0.028651
-    0SOL     H3    3  -0.070158   0.057431  -0.030689
-    1SOL     O4    4   0.106053   0.244602  -0.186547
-    1SOL     H5    5   0.160012   0.253163  -0.265144
-    1SOL     H6    6   0.050094   0.168926  -0.203980
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.093517   0.008233  -0.018686
-    0SOL     H3    3  -0.042298   0.007245  -0.085561
-    1SOL     O4    4  -0.228246   0.019091  -0.170194
-    1SOL     H5    5  -0.233184  -0.012190  -0.260524
-    1SOL     H6    6  -0.234271   0.114347  -0.177421
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.058997  -0.067268   0.034011
-    0SOL     H3    3   0.057514   0.072996  -0.022935
-    1SOL     O4    4  -0.112014   0.112147   0.292049
-    1SOL     H5    5  -0.059222   0.147385   0.220399
-    1SOL     H6    6  -0.185713   0.069153   0.248664
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/480/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.076311   0.046115  -0.034818
-    0SOL     H3    3   0.036499  -0.064359   0.060730
-    1SOL     O4    4  -0.254656   0.034669   0.156139
-    1SOL     H5    5  -0.254483   0.100904   0.225242
-    1SOL     H6    6  -0.173283   0.049904   0.108090
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086951  -0.019043  -0.035203
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-    1SOL     O4    4   0.059746   0.052019  -0.337817
-    1SOL     H5    5   0.069554   0.017530  -0.426568
-    1SOL     H6    6   0.131734   0.012517  -0.288627
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/482/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.039130   0.070637  -0.051397
-    0SOL     H3    3   0.052611  -0.003538   0.079887
-    1SOL     O4    4  -0.217140   0.094424   0.129549
-    1SOL     H5    5  -0.242110   0.174758   0.083884
-    1SOL     H6    6  -0.138178   0.064682   0.084353
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/483/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.030038  -0.080324   0.042523
-    0SOL     H3    3  -0.048796   0.003287  -0.082283
-    1SOL     O4    4  -0.340457   0.109259   0.244478
-    1SOL     H5    5  -0.349864   0.086035   0.336860
-    1SOL     H6    6  -0.247322   0.128702   0.233983
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/484/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.063668  -0.025596   0.066735
-    0SOL     H3    3   0.048000   0.059817  -0.057274
-    1SOL     O4    4  -0.177947   0.263274  -0.187874
-    1SOL     H5    5  -0.137361   0.290757  -0.105657
-    1SOL     H6    6  -0.198726   0.345136  -0.232921
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/485/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.018829   0.072269  -0.059874
-    0SOL     H3    3  -0.080183  -0.010197   0.051274
-    1SOL     O4    4  -0.229072  -0.024710   0.146921
-    1SOL     H5    5  -0.205747   0.023851   0.226042
-    1SOL     H6    6  -0.186220  -0.109660   0.157393
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/486/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014185   0.093932   0.011740
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-    1SOL     O4    4   0.056399   0.293153   0.006670
-    1SOL     H5    5   0.128602   0.294421   0.069499
-    1SOL     H6    6   0.097307   0.313983  -0.077324
-  3.000000   3.000000   3.000000
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-    6
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-    1SOL     H5    5   0.145326  -0.215229   0.216652
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-    6
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-    1SOL     H5    5  -0.292112  -0.092402  -0.110584
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.013617  -0.075052  -0.057829
-    1SOL     O4    4   0.248227  -0.126073  -0.137837
-    1SOL     H5    5   0.194074  -0.095486  -0.210598
-    1SOL     H6    6   0.212248  -0.211937  -0.115583
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.081005  -0.020409  -0.046733
-    1SOL     O4    4   0.072674   0.042917   0.260783
-    1SOL     H5    5   0.069471   0.136255   0.281761
-    1SOL     H6    6   0.046082   0.038032   0.168960
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082634   0.021713  -0.043157
-    0SOL     H3    3  -0.008148  -0.094837  -0.010088
-    1SOL     O4    4   0.283946  -0.191529   0.073249
-    1SOL     H5    5   0.295691  -0.108329   0.119099
-    1SOL     H6    6   0.257696  -0.166601  -0.015362
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.056005   0.019654   0.075097
-    1SOL     O4    4  -0.110953   0.015762  -0.317618
-    1SOL     H5    5  -0.151010   0.090110  -0.272563
-    1SOL     H6    6  -0.172191  -0.005437  -0.388066
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.000912  -0.057557  -0.076477
-    1SOL     O4    4   0.286005  -0.056793   0.067980
-    1SOL     H5    5   0.341582  -0.087396  -0.003693
-    1SOL     H6    6   0.329351   0.022382   0.099836
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.061298   0.013364  -0.072293
-    0SOL     H3    3  -0.081842   0.039277  -0.030358
-    1SOL     O4    4  -0.260440  -0.138358   0.098420
-    1SOL     H5    5  -0.292828  -0.221806   0.132328
-    1SOL     H6    6  -0.210310  -0.161998   0.020379
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.091628  -0.026277   0.008724
-    0SOL     H3    3  -0.012521   0.012530  -0.094067
-    1SOL     O4    4  -0.058128   0.056178  -0.267381
-    1SOL     H5    5  -0.001722   0.132166  -0.281750
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.051794  -0.075801  -0.027089
-    1SOL     O4    4   0.256395   0.048196  -0.054388
-    1SOL     H5    5   0.325893   0.010767  -0.000245
-    1SOL     H6    6   0.238629   0.133596  -0.014975
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.049886   0.059479  -0.055999
-    0SOL     H3    3   0.063757  -0.065629   0.028111
-    1SOL     O4    4  -0.154043  -0.060862  -0.240805
-    1SOL     H5    5  -0.123134  -0.032313  -0.154829
-    1SOL     H6    6  -0.225259  -0.121886  -0.221658
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.001679  -0.082079   0.049219
-    0SOL     H3    3   0.002649   0.068253   0.067059
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-    1SOL     H5    5  -0.161952   0.034663  -0.071742
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-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.060471   0.007066   0.073863
-    0SOL     H3    3   0.022510  -0.092959  -0.003779
-    1SOL     O4    4   0.114288  -0.238635  -0.060405
-    1SOL     H5    5   0.025917  -0.273098  -0.047554
-    1SOL     H6    6   0.120683  -0.223542  -0.154711
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.014133  -0.085671   0.040287
-    0SOL     H3    3  -0.047459  -0.019064  -0.080911
-    1SOL     O4    4  -0.026967   0.341056  -0.225763
-    1SOL     H5    5   0.025389   0.279625  -0.277216
-    1SOL     H6    6   0.004120   0.427492  -0.252683
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.012846  -0.042212  -0.084944
-    0SOL     H3    3  -0.086328  -0.029716   0.028755
-    1SOL     O4    4   0.144896  -0.017694   0.238233
-    1SOL     H5    5   0.103692  -0.025739   0.152211
-    1SOL     H6    6   0.210424   0.051187   0.227108
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.041139  -0.000386  -0.086428
-    0SOL     H3    3  -0.093981  -0.000618  -0.018153
-    1SOL     O4    4   0.232301  -0.022828   0.341255
-    1SOL     H5    5   0.312819  -0.047883   0.386547
-    1SOL     H6    6   0.197184  -0.105189   0.307405
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.036219   0.062237  -0.063064
-    0SOL     H3    3   0.052934   0.012153   0.078820
-    1SOL     O4    4   0.170530  -0.216412  -0.060144
-    1SOL     H5    5   0.086886  -0.171451  -0.048124
-    1SOL     H6    6   0.154511  -0.278247  -0.131432
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    0SOL     H3    3  -0.026928  -0.001708   0.091838
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-    1SOL     H5    5  -0.141820   0.233128  -0.066252
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-    6
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-    0SOL     H3    3  -0.093062   0.022385   0.000836
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-    1SOL     H5    5  -0.337809   0.129620   0.084550
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-    6
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-    0SOL     H3    3   0.042918   0.022345  -0.082590
-    1SOL     O4    4   0.193569   0.057944  -0.182665
-    1SOL     H5    5   0.213943   0.149955  -0.199430
-    1SOL     H6    6   0.270735   0.024176  -0.137196
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.002850  -0.012790   0.094819
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-    1SOL     H5    5   0.010531  -0.248122  -0.213099
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-    6
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-    0SOL     H2    2   0.010592   0.084977   0.042766
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-    6
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-    1SOL     H5    5  -0.038789   0.274017   0.035328
-    1SOL     H6    6  -0.095881   0.378212   0.129151
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.189016   0.195914  -0.102974
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-    6
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-    1SOL     O4    4  -0.040950   0.261485   0.022782
-    1SOL     H5    5  -0.017517   0.170135   0.006400
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-    6
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-    1SOL     O4    4  -0.067595  -0.095232  -0.241422
-    1SOL     H5    5  -0.159106  -0.121201  -0.252087
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.013808   0.149066   0.172829
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    1SOL     H5    5  -0.295347   0.135625  -0.114862
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.173160  -0.236497  -0.019482
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-    6
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-    6
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-    1SOL     O4    4  -0.241399  -0.091754   0.081896
-    1SOL     H5    5  -0.152985  -0.069313   0.052883
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.196315   0.260451  -0.032266
-    1SOL     H5    5  -0.122366   0.290692   0.020453
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.076050   0.000938  -0.058119
-    1SOL     O4    4   0.191094  -0.234078  -0.124915
-    1SOL     H5    5   0.249459  -0.300726  -0.161163
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.049983   0.013615   0.080490
-    1SOL     O4    4  -0.006699   0.337069  -0.082148
-    1SOL     H5    5   0.061044   0.288401  -0.035195
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.011494   0.055818  -0.076906
-    0SOL     H3    3   0.029146   0.054030   0.073441
-    1SOL     O4    4   0.176909  -0.224009  -0.026301
-    1SOL     H5    5   0.259403  -0.209130  -0.072515
-    1SOL     H6    6   0.134628  -0.138153  -0.024425
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.143190  -0.233725   0.076520
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-    6
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-    1SOL     O4    4   0.051781  -0.012048   0.271844
-    1SOL     H5    5   0.072010   0.081256   0.264957
-    1SOL     H6    6   0.106736  -0.043277   0.343727
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-    6
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-    0SOL     H3    3   0.025135  -0.019716   0.090232
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-    1SOL     H5    5   0.029073  -0.242335  -0.185518
-    1SOL     H6    6   0.052117  -0.098701  -0.143597
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.082253  -0.047138  -0.013222
-    0SOL     H3    3  -0.006150   0.059061  -0.075075
-    1SOL     O4    4   0.043167   0.127350   0.229640
-    1SOL     H5    5   0.034547   0.052335   0.170811
-    1SOL     H6    6   0.032044   0.090515   0.317286
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-    6
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-    0SOL     H2    2   0.045761   0.046392  -0.070114
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-    1SOL     O4    4   0.106155  -0.327957  -0.064857
-    1SOL     H5    5   0.025681  -0.376167  -0.045831
-    1SOL     H6    6   0.077171  -0.251675  -0.114891
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-    6
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-    0SOL     H3    3  -0.012516  -0.038563   0.086710
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-    1SOL     H5    5  -0.198971  -0.082584  -0.255788
-    1SOL     H6    6  -0.148373  -0.204284  -0.181305
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.015672   0.032184  -0.088775
-    0SOL     H3    3  -0.090013   0.026109   0.019451
-    1SOL     O4    4   0.313318  -0.055420   0.132594
-    1SOL     H5    5   0.240640  -0.117710   0.133109
-    1SOL     H6    6   0.321925  -0.027829   0.223847
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-    6
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-    0SOL     H2    2  -0.012687   0.050049   0.080600
-    0SOL     H3    3   0.016401  -0.089516   0.029667
-    1SOL     O4    4   0.056584   0.111101  -0.302273
-    1SOL     H5    5   0.057850   0.032360  -0.247862
-    1SOL     H6    6   0.147892   0.139670  -0.305273
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.030152  -0.090738   0.004440
-    0SOL     H3    3   0.025526   0.021227   0.089778
-    1SOL     O4    4  -0.064405  -0.257676   0.042858
-    1SOL     H5    5  -0.014662  -0.279894   0.121562
-    1SOL     H6    6  -0.153149  -0.240815   0.074519
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.007318   0.080509  -0.051255
-    0SOL     H3    3   0.073586  -0.053807  -0.029193
-    1SOL     O4    4   0.145800  -0.265786   0.026457
-    1SOL     H5    5   0.064780  -0.295381   0.067957
-    1SOL     H6    6   0.180169  -0.343657  -0.017329
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087908  -0.013637   0.035334
-    0SOL     H3    3  -0.054454  -0.064072   0.045737
-    1SOL     O4    4  -0.093058   0.116845  -0.228300
-    1SOL     H5    5  -0.048268   0.080140  -0.152084
-    1SOL     H6    6  -0.028795   0.175745  -0.267839
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.025868  -0.063514  -0.066777
-    0SOL     H3    3  -0.054075  -0.021664   0.075953
-    1SOL     O4    4   0.082491   0.181391  -0.194169
-    1SOL     H5    5   0.035511   0.141945  -0.120690
-    1SOL     H6    6   0.013571   0.215183  -0.251356
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/552/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.053263  -0.074702  -0.027294
-    0SOL     H3    3   0.018054   0.047514  -0.081110
-    1SOL     O4    4   0.262720  -0.078526   0.085065
-    1SOL     H5    5   0.318546  -0.130158   0.026928
-    1SOL     H6    6   0.191994  -0.047090   0.028745
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/553/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.081925   0.024684   0.042911
-    0SOL     H3    3  -0.029495  -0.077706   0.047478
-    1SOL     O4    4  -0.263503   0.133659   0.014544
-    1SOL     H5    5  -0.174289   0.099796   0.022065
-    1SOL     H6    6  -0.257329   0.224393   0.044402
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/554/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     H5    5  -0.354436  -0.054824   0.047945
-    1SOL     H6    6  -0.384826  -0.203123   0.049653
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/555/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.071844   0.052844   0.034759
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-    1SOL     H5    5  -0.270191  -0.285547   0.016760
-    1SOL     H6    6  -0.129422  -0.309812  -0.033383
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.000853  -0.095243   0.009503
-    1SOL     O4    4  -0.244982  -0.003209  -0.158224
-    1SOL     H5    5  -0.279267  -0.067098  -0.095733
-    1SOL     H6    6  -0.156042   0.014806  -0.127770
-  3.000000   3.000000   3.000000
-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/557/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.090910   0.015062  -0.025900
-    0SOL     H3    3  -0.005693  -0.032152   0.089979
-    1SOL     O4    4   0.137594   0.207266   0.091276
-    1SOL     H5    5   0.088503   0.268040   0.146583
-    1SOL     H6    6   0.072558   0.143271   0.062336
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.079727  -0.045961  -0.026334
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-    1SOL     O4    4  -0.045468   0.001844   0.271837
-    1SOL     H5    5  -0.099746  -0.006673   0.350219
-    1SOL     H6    6   0.018405   0.069564   0.294119
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.027985  -0.021873  -0.088886
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-    1SOL     O4    4   0.194259   0.148081   0.103842
-    1SOL     H5    5   0.235728   0.169714   0.020327
-    1SOL     H6    6   0.180223   0.232713   0.146301
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.225767   0.138120  -0.071196
-    1SOL     H5    5   0.172651   0.206185  -0.112524
-    1SOL     H6    6   0.290297   0.114308  -0.137764
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.122644   0.168701   0.163512
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-    1SOL     H6    6   0.210298   0.130651   0.157919
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.021979   0.047377  -0.080216
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-    1SOL     O4    4  -0.253838   0.192564   0.043908
-    1SOL     H5    5  -0.330951   0.234129   0.082486
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3   0.004013   0.091324   0.028393
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-    1SOL     H5    5  -0.263033  -0.218741   0.020629
-    1SOL     H6    6  -0.170778  -0.102153   0.049183
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.076482  -0.139950   0.228239
-    1SOL     H5    5   0.105939  -0.096520   0.148186
-    1SOL     H6    6   0.046142  -0.225938   0.199121
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.021505   0.092042   0.015102
-    0SOL     H3    3  -0.060374  -0.022468   0.070799
-    1SOL     O4    4  -0.061042   0.302400   0.017811
-    1SOL     H5    5  -0.136090   0.343086  -0.025489
-    1SOL     H6    6  -0.088038   0.293410   0.109204
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.026956  -0.031928   0.086118
-    0SOL     H3    3   0.034702   0.087635   0.016678
-    1SOL     O4    4  -0.207995   0.164703  -0.116556
-    1SOL     H5    5  -0.151646   0.107981  -0.063928
-    1SOL     H6    6  -0.290824   0.117135  -0.122788
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.001988   0.013254  -0.094777
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-    1SOL     H5    5   0.094226  -0.032205  -0.298019
-    1SOL     H6    6  -0.057034  -0.037679  -0.301091
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.086665  -0.015945  -0.037380
-    0SOL     H3    3   0.004249   0.089742   0.033024
-    1SOL     O4    4   0.005995  -0.209506   0.160957
-    1SOL     H5    5  -0.003370  -0.149507   0.086966
-    1SOL     H6    6   0.028414  -0.293555   0.121012
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.052227  -0.075099   0.028192
-    0SOL     H3    3   0.001950   0.059948   0.074597
-    1SOL     O4    4   0.216296   0.074378  -0.125497
-    1SOL     H5    5   0.266637   0.004068  -0.166543
-    1SOL     H6    6   0.156628   0.029403  -0.065671
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    0SOL     H3    3  -0.071360  -0.045547  -0.044672
-    1SOL     O4    4  -0.197850  -0.096457  -0.165345
-    1SOL     H5    5  -0.179430  -0.185588  -0.194989
-    1SOL     H6    6  -0.280690  -0.103577  -0.117919
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.079237   0.046530  -0.026812
-    0SOL     H3    3  -0.062455   0.016251  -0.070693
-    1SOL     O4    4   0.221880  -0.308716  -0.058682
-    1SOL     H5    5   0.232067  -0.277325  -0.148533
-    1SOL     H6    6   0.130273  -0.290998  -0.037312
-  3.000000   3.000000   3.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.030463  -0.044997  -0.078801
-    0SOL     H3    3  -0.093399  -0.020417   0.004704
-    1SOL     O4    4  -0.089764   0.227673   0.190886
-    1SOL     H5    5  -0.001415   0.219086   0.155067
-    1SOL     H6    6  -0.092243   0.315983   0.227730
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.087369  -0.028078   0.027216
-    0SOL     H3    3   0.007130   0.012241  -0.094666
-    1SOL     O4    4   0.214671  -0.072543   0.141703
-    1SOL     H5    5   0.276028  -0.137793   0.107940
-    1SOL     H6    6   0.168068  -0.117602   0.212131
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.047093   0.017745  -0.081423
-    0SOL     H3    3   0.075745  -0.051965  -0.026921
-    1SOL     O4    4  -0.204855  -0.098113   0.199429
-    1SOL     H5    5  -0.279079  -0.079261   0.142004
-    1SOL     H6    6  -0.129063  -0.062290   0.153227
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-Generated by ForceBalance from calcs/cluster-02/Ice/VIB-Mc/576/qchem.out: Frame 1 of 1
-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.028817  -0.090449   0.012285
-    0SOL     H3    3   0.046794  -0.000852  -0.083498
-    1SOL     O4    4   0.197185  -0.041220   0.204011
-    1SOL     H5    5   0.179079  -0.055904   0.111173
-    1SOL     H6    6   0.112635  -0.016249   0.241294
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5   0.197472  -0.204428   0.105147
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    0SOL     H2    2   0.073754  -0.050913   0.033624
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    0SOL     H2    2  -0.061863   0.045489  -0.057149
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H6    6   0.258310  -0.085433   0.271719
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-    6
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-    1SOL     H6    6   0.152631  -0.137398   0.104097
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.203556   0.127345  -0.243607
-    1SOL     H5    5  -0.239229   0.206654  -0.283606
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.063643   0.022012   0.068025
-    0SOL     H3    3   0.031443   0.084652  -0.031743
-    1SOL     O4    4  -0.191493  -0.115438  -0.210137
-    1SOL     H5    5  -0.254578  -0.110442  -0.281954
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.042871  -0.070973   0.047825
-    0SOL     H3    3  -0.020298   0.078700   0.050564
-    1SOL     O4    4   0.188928  -0.170121  -0.071203
-    1SOL     H5    5   0.224284  -0.173698  -0.160082
-    1SOL     H6    6   0.124394  -0.099477  -0.073871
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.032976  -0.073838  -0.051215
-    0SOL     H3    3   0.072011   0.022378   0.058957
-    1SOL     O4    4  -0.236571   0.118493  -0.117605
-    1SOL     H5    5  -0.142248   0.110103  -0.131570
-    1SOL     H6    6  -0.268049   0.166203  -0.194385
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-    6
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-    1SOL     H6    6  -0.120634  -0.183364   0.223946
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-    6
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-    0SOL     H2    2   0.039987  -0.033275   0.080350
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-    1SOL     H5    5   0.166864  -0.203765  -0.076857
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.172317  -0.145839  -0.159166
-    1SOL     H5    5   0.153817  -0.085279  -0.087384
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-    6
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-    0SOL     H2    2   0.067736  -0.033929  -0.058506
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-    1SOL     H5    5   0.138477   0.220167   0.175019
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.077366  -0.042621   0.036881
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-    1SOL     H6    6   0.281807  -0.066576   0.140177
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.066571   0.048185   0.049080
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-    1SOL     H6    6   0.354112  -0.025730   0.003835
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4   0.246896  -0.007796   0.054657
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-    1SOL     H6    6   0.306962   0.018879   0.124248
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    1SOL     O4    4  -0.021756   0.344232  -0.000227
-    1SOL     H5    5  -0.003234   0.310113  -0.087720
-    1SOL     H6    6  -0.034958   0.438120  -0.013380
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2   0.048621   0.014252   0.081211
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-    1SOL     O4    4   0.145044  -0.224135  -0.193504
-    1SOL     H5    5   0.059009  -0.248895  -0.159633
-    1SOL     H6    6   0.201403  -0.221418  -0.116182
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
-    0SOL     H2    2  -0.094486  -0.013309  -0.007583
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-    1SOL     O4    4   0.231718   0.211251  -0.023394
-    1SOL     H5    5   0.243841   0.265564  -0.101276
-    1SOL     H6    6   0.145727   0.236434   0.010277
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H5    5  -0.103304   0.111496  -0.268190
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-    6
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-    0SOL     H2    2   0.069157   0.044477   0.049005
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-    6
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-    0SOL     H2    2   0.078563  -0.007987   0.054096
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-    1SOL     H5    5  -0.153716   0.073066   0.057883
-    1SOL     H6    6  -0.287651   0.137807   0.029793
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-    6
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-    6
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-    6
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-    6
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-    6
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-    1SOL     H6    6   0.162604  -0.269082   0.096376
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-    6
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-    1SOL     H6    6  -0.044139  -0.276059   0.108236
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
-    0SOL     O1    1   0.000000   0.000000   0.000000
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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-    6
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diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/input.sdf b/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/input.sdf
deleted file mode 100644
index 6e873ce0c..000000000
--- a/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/input.sdf
+++ /dev/null
@@ -1,11 +0,0 @@
-
-  -OEChem-04012114442D
-
-  3  2  0     0  0  0  0  0  0999 V2000
-    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
-    0.7500    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3750   -0.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  3  1  0  0  0  0
-M  END
-$$$$
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/qdata.txt b/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/qdata.txt
deleted file mode 100644
index 2f22aa16b..000000000
--- a/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/qdata.txt
+++ /dev/null
@@ -1,36000 +0,0 @@
-JOB 0
-COORDS  3.5216500000e-01 -7.8911000000e-02 -1.1804680000e+00  1.3612400000e-01 -1.0054360000e+00 -1.2858660000e+00 -2.3084000000e-01  3.7425000000e-01 -1.7895500000e+00 -2.5011700000e-01  1.2282500000e-01  1.2734860000e+00 -1.6090600000e-01 -6.8114000000e-02  3.3977500000e-01 -1.1927470000e+00  8.8939000000e-02  1.4363760000e+00
-ENERGY -1.526531302629e+02
-FORCES -4.5584000000e-03  2.8331000000e-03  1.0695200000e-02 -1.7058000000e-03  7.4662000000e-03  5.6202000000e-03  2.3209000000e-03 -3.8125000000e-03  4.3021000000e-03  5.6422000000e-03  3.1000000000e-06 -2.3512700000e-02 -4.5328000000e-03 -6.2378000000e-03  6.9465000000e-03  2.8339000000e-03 -2.5210000000e-04 -4.0514000000e-03
-
-JOB 1
-COORDS -6.8329000000e-01  9.7053200000e-01  3.7448700000e-01 -1.4703220000e+00  7.3895000000e-01 -1.1864800000e-01 -1.0012950000e+00  1.1665760000e+00  1.2557770000e+00  8.1188800000e-01 -9.5895400000e-01 -4.3931200000e-01  4.4696000000e-01 -1.7720490000e+00 -9.0119000000e-02  2.2548500000e-01 -2.7467100000e-01 -1.1663300000e-01
-ENERGY -1.526559628751e+02
-FORCES  6.0634000000e-03 -9.1897000000e-03 -8.2310000000e-04  6.3519000000e-03 -1.7801000000e-03  3.8187000000e-03 -6.5600000000e-05 -1.2865000000e-03 -5.5128000000e-03 -1.1486000000e-02  1.5615500000e-02  9.5280000000e-03 -7.6370000000e-04  3.5825000000e-03 -2.6770000000e-04 -1.0010000000e-04 -6.9418000000e-03 -6.7431000000e-03
-
-JOB 2
-COORDS  2.2498900000e-01 -1.2400430000e+00  1.5191700000e-01  4.8805000000e-02 -1.9013490000e+00  8.2114400000e-01 -6.7522000000e-02 -1.6423530000e+00 -6.6589400000e-01 -2.5241300000e-01  1.3361600000e+00 -1.0805400000e-01 -3.7922000000e-02  4.0382100000e-01 -7.6917000000e-02  4.2237100000e-01  1.7190630000e+00 -6.6866400000e-01
-ENERGY -1.526585233898e+02
-FORCES -3.9958000000e-03  7.1673000000e-03  2.1209000000e-03  8.4110000000e-04  1.2867000000e-03 -5.1036000000e-03  1.4961000000e-03  3.3770000000e-03  4.6494000000e-03  4.7098000000e-03 -1.5757400000e-02  3.2242000000e-03 -1.4332000000e-03  7.0594000000e-03 -5.9418000000e-03 -1.6180000000e-03 -3.1331000000e-03  1.0510000000e-03
-
-JOB 3
-COORDS  5.4421800000e-01 -1.2553130000e+00  8.8419000000e-02  2.7167700000e-01 -3.3817000000e-01  6.0110000000e-02  1.2009290000e+00 -1.2891610000e+00  7.8398900000e-01 -5.7240000000e-01  1.1364590000e+00 -1.5238300000e-01 -9.0526700000e-01  1.4770440000e+00  6.7793800000e-01 -1.3963800000e-01  1.8851980000e+00 -5.6267300000e-01
-ENERGY -1.526591375278e+02
-FORCES -5.9708000000e-03  1.5395500000e-02 -1.2981000000e-03  5.0274000000e-03 -8.6922000000e-03  2.7170000000e-03 -2.6534000000e-03  2.2454000000e-03 -1.6577000000e-03  2.5214000000e-03 -3.5902000000e-03  1.2333000000e-03  3.3591000000e-03 -1.5926000000e-03 -4.4384000000e-03 -2.2836000000e-03 -3.7659000000e-03  3.4439000000e-03
-
-JOB 4
-COORDS  5.7161800000e-01 -9.6598200000e-01  8.1667700000e-01  9.9028000000e-02 -2.4906300000e-01  3.9369100000e-01  1.4502750000e+00 -9.3024200000e-01  4.3863600000e-01 -5.8690800000e-01  8.7480300000e-01 -7.2013500000e-01 -4.7637800000e-01  7.6625000000e-01 -1.6647140000e+00 -8.3205900000e-01  1.7936460000e+00 -6.1122200000e-01
-ENERGY -1.526592048686e+02
-FORCES -5.0294000000e-03  1.2398000000e-02 -9.9033000000e-03  2.7722000000e-03 -5.3012000000e-03  4.7156000000e-03 -2.3452000000e-03 -1.8940000000e-04  2.0330000000e-04  3.6095000000e-03 -4.8244000000e-03  2.5716000000e-03 -4.3080000000e-04  2.4659000000e-03  4.5500000000e-03  1.4237000000e-03 -4.5489000000e-03 -2.1372000000e-03
-
-JOB 5
-COORDS -1.2519220000e+00  2.9806100000e-01  1.2407700000e-01 -1.7774660000e+00 -3.1721900000e-01  6.3541300000e-01 -1.6386140000e+00  1.1542270000e+00  3.0760000000e-01  1.3412990000e+00 -2.6605100000e-01 -1.2939600000e-01  1.5929860000e+00 -9.9805000000e-01 -6.9248000000e-01  3.8505000000e-01 -3.0044700000e-01 -1.0414600000e-01
-ENERGY -1.526589644775e+02
-FORCES  6.1265000000e-03  3.0777000000e-03  1.4675000000e-03  3.5697000000e-03  2.9068000000e-03 -2.7914000000e-03 -6.3560000000e-04 -5.0797000000e-03 -2.5900000000e-05 -1.3435800000e-02  3.3336000000e-03 -4.0000000000e-06 -3.1784000000e-03  1.9018000000e-03  1.9073000000e-03  7.5536000000e-03 -6.1403000000e-03 -5.5360000000e-04
-
-JOB 6
-COORDS  9.4080600000e-01 -1.2910000000e-02  1.0149850000e+00  1.8624460000e+00  3.3795000000e-02  7.6075800000e-01  4.6356000000e-01 -2.9346000000e-02  1.8540800000e-01 -9.2695400000e-01 -4.2725000000e-02 -9.4398900000e-01 -1.7393910000e+00  2.0776300000e-01 -5.0417800000e-01 -7.7022600000e-01  6.5865000000e-01 -1.5762390000e+00
-ENERGY -1.526600696682e+02
-FORCES -8.6859000000e-03 -1.4874000000e-03 -1.0990200000e-02 -3.8729000000e-03  3.1860000000e-04 -1.5272000000e-03  9.0875000000e-03  2.1028000000e-03  6.5977000000e-03 -1.1891000000e-03  3.1893000000e-03  4.9992000000e-03  4.0382000000e-03 -6.4660000000e-04 -3.6094000000e-03  6.2220000000e-04 -3.4767000000e-03  4.5300000000e-03
-
-JOB 7
-COORDS -2.1701100000e-01  6.2226700000e-01 -1.1152950000e+00 -9.9029600000e-01  6.0993900000e-01 -1.6793080000e+00  2.0301000000e-01  1.4618330000e+00 -1.3022250000e+00  2.0956200000e-01 -6.8016800000e-01  1.2221690000e+00 -1.2498000000e-01 -2.1727700000e-01  4.5402400000e-01  1.0515240000e+00 -1.0370950000e+00  9.3944400000e-01
-ENERGY -1.526602654351e+02
-FORCES  6.5390000000e-04  2.1520000000e-04  3.8382000000e-03  4.2812000000e-03  1.0164000000e-03  2.8041000000e-03 -2.7503000000e-03 -4.3081000000e-03 -5.8580000000e-04 -2.4710000000e-04  6.0331000000e-03 -1.4410500000e-02 -3.1300000000e-04 -3.9877000000e-03  7.0912000000e-03 -1.6247000000e-03  1.0312000000e-03  1.2628000000e-03
-
-JOB 8
-COORDS  4.7374800000e-01  9.2287200000e-01 -7.8869200000e-01 -2.8776900000e-01  1.1715470000e+00 -1.3126050000e+00  1.2208080000e+00  1.2881660000e+00 -1.2627100000e+00 -4.6887700000e-01 -1.0247650000e+00  8.3546400000e-01 -8.7998900000e-01 -5.4689800000e-01  1.5557840000e+00 -1.1122800000e-01 -3.4208300000e-01  2.6778100000e-01
-ENERGY -1.526598941771e+02
-FORCES  3.4890000000e-04 -3.8972000000e-03  1.0450000000e-03  4.3281000000e-03 -1.4662000000e-03  3.2820000000e-03 -5.0488000000e-03 -2.1380000000e-04  7.9700000000e-04  6.2528000000e-03  1.0725100000e-02 -5.7958000000e-03  9.5160000000e-04 -5.7360000000e-04 -2.7674000000e-03 -6.8325000000e-03 -4.5743000000e-03  3.4393000000e-03
-
-JOB 9
-COORDS  3.4308700000e-01  5.5463100000e-01  1.2526750000e+00  9.2537900000e-01 -1.3034200000e-01  1.5812770000e+00 -1.9486000000e-02  1.9367200000e-01  4.4367500000e-01 -3.8574000000e-01 -4.7688000000e-01 -1.1650870000e+00 -1.9404000000e-02 -1.2992390000e+00 -1.4902870000e+00 -2.3381500000e-01  1.4985700000e-01 -1.8724420000e+00
-ENERGY -1.526600117336e+02
-FORCES -2.8625000000e-03 -8.2529000000e-03 -1.2696500000e-02 -1.5038000000e-03  1.3546000000e-03 -1.3246000000e-03  1.8647000000e-03  4.9256000000e-03  7.8666000000e-03  4.3317000000e-03  1.5440000000e-03  1.9145000000e-03 -1.3611000000e-03  4.5275000000e-03  8.6990000000e-04 -4.6910000000e-04 -4.0988000000e-03  3.3701000000e-03
-
-JOB 10
-COORDS  3.3204500000e-01 -4.2317000000e-01  1.2166950000e+00  3.0110100000e-01 -1.3790570000e+00  1.1772690000e+00 -3.8315400000e-01 -1.8401600000e-01  1.8062100000e+00 -2.3709400000e-01  4.7889500000e-01 -1.2830130000e+00 -2.9812900000e-01  1.7835800000e-01 -3.7626900000e-01 -1.1459090000e+00  5.4054200000e-01 -1.5770970000e+00
-ENERGY -1.526584725552e+02
-FORCES  2.9300000000e-05 -2.4911000000e-03 -3.4110000000e-04 -1.2332000000e-03  5.8313000000e-03 -8.1400000000e-05  2.4494000000e-03 -1.1138000000e-03 -6.3362000000e-03  2.4346000000e-03 -4.0313000000e-03  1.2473100000e-02 -6.3752000000e-03  2.9250000000e-03 -9.2560000000e-03  2.6950000000e-03 -1.1201000000e-03  3.5416000000e-03
-
-JOB 11
-COORDS -6.8773000000e-02  1.0316150000e+00 -8.5040200000e-01 -3.4376800000e-01  3.7294300000e-01 -1.4881810000e+00  4.7656000000e-01  1.6379710000e+00 -1.3515770000e+00  9.8788000000e-02 -1.0592040000e+00  9.5243200000e-01 -8.4734100000e-01 -1.1880600000e+00  8.8558400000e-01  2.9591600000e-01 -3.8601400000e-01  3.0113500000e-01
-ENERGY -1.526579653737e+02
-FORCES  1.0628000000e-03 -3.1080000000e-04 -1.9071000000e-03  2.7690000000e-03  1.6733000000e-03  6.5097000000e-03 -3.2900000000e-03 -3.5956000000e-03  1.8224000000e-03 -2.5932000000e-03  1.1703800000e-02 -5.9245000000e-03  2.8356000000e-03 -2.9420000000e-04 -1.0490000000e-03 -7.8420000000e-04 -9.1766000000e-03  5.4850000000e-04
-
-JOB 12
-COORDS -7.7771000000e-02 -1.0123790000e+00  8.4847600000e-01 -1.1018000000e-01 -1.7305010000e+00  2.1643000000e-01 -5.6383400000e-01 -1.3375240000e+00  1.6062720000e+00  5.9301000000e-02  1.1183600000e+00 -8.6282500000e-01 -1.6996000000e-02  2.9380300000e-01 -3.8270300000e-01  9.5157500000e-01  1.1126440000e+00 -1.2093010000e+00
-ENERGY -1.526583148829e+02
-FORCES -3.0850000000e-03  2.1059000000e-03  8.4300000000e-04  1.6940000000e-04  6.5605000000e-03  1.8725000000e-03  2.9791000000e-03 -5.6470000000e-04 -4.0400000000e-03  1.3278000000e-03 -8.4676000000e-03  9.5404000000e-03  1.3957000000e-03  1.6917000000e-03 -9.4365000000e-03 -2.7870000000e-03 -1.3258000000e-03  1.2206000000e-03
-
-JOB 13
-COORDS  4.1370100000e-01 -6.4393800000e-01  1.1704050000e+00  9.6125500000e-01 -1.4261480000e+00  1.1028440000e+00  4.3677700000e-01 -2.5846100000e-01  2.9455800000e-01 -4.1248300000e-01  6.0935600000e-01 -1.1183800000e+00 -6.8171000000e-02  1.5023630000e+00 -1.1331590000e+00 -1.3622200000e+00  7.1907700000e-01 -1.0715570000e+00
-ENERGY -1.526603787012e+02
-FORCES -2.8536000000e-03  3.8261000000e-03 -1.1283200000e-02 -1.9200000000e-03  2.9528000000e-03 -1.5027000000e-03  5.9005000000e-03 -3.2201000000e-03  8.3638000000e-03 -4.4363000000e-03  4.8430000000e-04  4.8577000000e-03 -1.3205000000e-03 -5.1234000000e-03  1.2750000000e-03  4.6300000000e-03  1.0803000000e-03 -1.7106000000e-03
-
-JOB 14
-COORDS  6.9619400000e-01 -3.0654600000e-01  1.0893390000e+00  5.3722800000e-01 -1.2497600000e+00  1.0531540000e+00  1.6311810000e+00 -2.2784100000e-01  1.2786470000e+00 -8.1030200000e-01  3.7264900000e-01 -1.1102160000e+00 -8.0885000000e-02  4.4364400000e-01 -1.7259610000e+00 -4.0691500000e-01  7.9802000000e-02 -2.9305500000e-01
-ENERGY -1.526584415635e+02
-FORCES  2.0592000000e-03  6.1920000000e-04 -3.1183000000e-03  5.5600000000e-05  6.4520000000e-03 -2.2848000000e-03 -4.4207000000e-03 -2.0022000000e-03 -5.1720000000e-04  1.1093300000e-02 -1.0387000000e-03  9.8031000000e-03 -1.9937000000e-03 -3.0760000000e-04  1.1354000000e-03 -6.7938000000e-03 -3.7227000000e-03 -5.0181000000e-03
-
-JOB 15
-COORDS  5.0391100000e-01  1.2832560000e+00  4.0288500000e-01 -1.1304800000e-01  6.0653800000e-01  1.2423200000e-01  1.3642950000e+00  9.3396100000e-01  1.7058400000e-01 -5.6577300000e-01 -1.1650000000e+00 -3.7261600000e-01 -1.2087100000e-01 -1.5516570000e+00  3.8156500000e-01 -2.3676900000e-01 -1.6581690000e+00 -1.1241300000e+00
-ENERGY -1.526587966808e+02
-FORCES -3.4365000000e-03 -1.1846400000e-02 -6.9924000000e-03  2.6869000000e-03  5.9715000000e-03  5.7641000000e-03 -1.6264000000e-03  7.3390000000e-04  1.4339000000e-03  4.1840000000e-03 -3.8260000000e-04 -1.3840000000e-04 -1.2045000000e-03  3.7256000000e-03 -4.6831000000e-03 -6.0350000000e-04  1.7981000000e-03  4.6157000000e-03
-
-JOB 16
-COORDS  7.0417300000e-01 -8.2636400000e-01 -9.1075400000e-01  2.6263100000e-01 -6.7554000000e-01 -1.7465320000e+00  2.4791400000e-01 -2.5614400000e-01 -2.9195800000e-01 -6.4619800000e-01  7.1902200000e-01  9.0267300000e-01 -6.7463200000e-01  1.1165020000e+00  1.7729790000e+00 -7.4956900000e-01  1.4548640000e+00  2.9928000000e-01
-ENERGY -1.526579127815e+02
-FORCES -6.9011000000e-03  5.1057000000e-03  8.3415000000e-03  6.6390000000e-04  1.3642000000e-03  3.4822000000e-03  2.1339000000e-03 -5.0800000000e-05 -9.4832000000e-03  3.1900000000e-03 -1.1380000000e-04  9.4160000000e-04 -1.1774000000e-03 -1.6680000000e-04 -4.9060000000e-03  2.0907000000e-03 -6.1385000000e-03  1.6239000000e-03
-
-JOB 17
-COORDS  3.2647200000e-01 -6.5122000000e-01  1.1413760000e+00 -3.1401100000e-01 -2.3969800000e-01  1.7216010000e+00  1.1741570000e+00 -3.4627500000e-01  1.4649060000e+00 -3.3566400000e-01  6.8271200000e-01 -1.1797810000e+00 -5.2813800000e-01  2.6565600000e-01 -2.0195730000e+00 -2.1264500000e-01 -4.6651000000e-02 -5.7222300000e-01
-ENERGY -1.526611479680e+02
-FORCES  1.5699000000e-03  6.2838000000e-03  6.4230000000e-04  3.4031000000e-03 -2.0669000000e-03 -3.2783000000e-03 -4.3691000000e-03 -1.6949000000e-03 -2.0120000000e-04  2.9229000000e-03 -7.0921000000e-03  7.7285000000e-03  1.1189000000e-03 -2.0200000000e-04  3.9542000000e-03 -4.6457000000e-03  4.7721000000e-03 -8.8455000000e-03
-
-JOB 18
-COORDS  4.8034700000e-01  6.3773600000e-01  1.1604970000e+00 -5.4327000000e-02  3.5829100000e-01  4.1735100000e-01  5.3281400000e-01  1.5895700000e+00  1.0739420000e+00 -4.2206700000e-01 -6.1587700000e-01 -1.1178680000e+00 -1.3671970000e+00 -7.5383900000e-01 -1.0552070000e+00 -5.2141000000e-02 -1.4982290000e+00 -1.1468910000e+00
-ENERGY -1.526599151358e+02
-FORCES -3.4021000000e-03 -3.6991000000e-03 -1.2004800000e-02 -5.1030000000e-04  5.2207000000e-03  9.4183000000e-03 -1.0136000000e-03 -3.1946000000e-03 -8.6330000000e-04  2.6315000000e-03 -4.2783000000e-03  2.2212000000e-03  5.6604000000e-03  1.9328000000e-03  1.9520000000e-03 -3.3658000000e-03  4.0185000000e-03 -7.2340000000e-04
-
-JOB 19
-COORDS  5.1815000000e-01 -1.1956100000e+00 -5.7229600000e-01  9.4466300000e-01 -8.8332700000e-01 -1.3702930000e+00  5.9933000000e-02 -4.2846900000e-01 -2.2913100000e-01 -5.1844700000e-01  1.0627710000e+00  5.7649000000e-01 -6.5640100000e-01  1.4090300000e+00  1.4581390000e+00 -3.3662100000e-01  1.8351000000e+00  4.1065000000e-02
-ENERGY -1.526592193715e+02
-FORCES -4.2781000000e-03  1.1310300000e-02  4.9888000000e-03 -1.6823000000e-03  5.4200000000e-04  2.5749000000e-03  3.0310000000e-03 -5.8819000000e-03 -6.3727000000e-03  2.8816000000e-03 -2.3319000000e-03  1.1143000000e-03  4.7940000000e-04  6.3440000000e-04 -4.9059000000e-03 -4.3160000000e-04 -4.2729000000e-03  2.6007000000e-03
-
-JOB 20
-COORDS -4.8368000000e-02  1.3530500000e+00 -3.7879400000e-01  2.4319200000e-01  4.7496700000e-01 -1.3344800000e-01  7.3113800000e-01  1.9002510000e+00 -2.8301500000e-01  3.0129000000e-02 -1.2858230000e+00  3.3033100000e-01 -6.4386600000e-01 -1.8133840000e+00 -9.8204000000e-02  2.1800000000e-03 -1.5594280000e+00  1.2471680000e+00
-ENERGY -1.526608443932e+02
-FORCES  1.8850000000e-03 -1.1274500000e-02  3.0308000000e-03  1.3462000000e-03  1.0105000000e-02 -2.6276000000e-03 -1.8305000000e-03 -3.3754000000e-03  7.8840000000e-04 -4.5724000000e-03  2.7285000000e-03 -2.1800000000e-05  3.3257000000e-03  1.2667000000e-03  3.3950000000e-03 -1.5400000000e-04  5.4970000000e-04 -4.5649000000e-03
-
-JOB 21
-COORDS -1.0414900000e-01  8.3721100000e-01 -1.0593930000e+00 -7.7283500000e-01  3.2006000000e-01 -1.5084430000e+00 -5.0977100000e-01  1.6947150000e+00 -9.3136800000e-01  1.1358200000e-01 -8.6391600000e-01  1.1208900000e+00  1.6365900000e-01 -3.1953200000e-01  3.3516100000e-01  9.6138500000e-01 -1.3065000000e+00  1.1606430000e+00
-ENERGY -1.526613473896e+02
-FORCES -4.0997000000e-03  1.4004000000e-03  2.1387000000e-03  3.9924000000e-03  2.2456000000e-03  4.0476000000e-03  1.2719000000e-03 -4.4353000000e-03 -1.9193000000e-03  2.0581000000e-03  8.1099000000e-03 -9.2233000000e-03 -7.8450000000e-04 -9.2702000000e-03  6.2601000000e-03 -2.4382000000e-03  1.9497000000e-03 -1.3038000000e-03
-
-JOB 22
-COORDS  8.9377400000e-01 -4.7596200000e-01 -9.9875000000e-01  3.0500600000e-01 -2.5179100000e-01 -2.7810400000e-01  1.3309630000e+00 -1.2774060000e+00 -7.1102600000e-01 -8.9873800000e-01  5.4718900000e-01  8.8494100000e-01 -4.0180000000e-01  8.0987500000e-01  1.6597190000e+00 -1.1548740000e+00 -3.5838400000e-01  1.0597650000e+00
-ENERGY -1.526571634711e+02
-FORCES -6.6875000000e-03  4.7792000000e-03  8.1388000000e-03  5.2371000000e-03 -9.2925000000e-03 -3.8798000000e-03 -3.0738000000e-03  3.1136000000e-03  1.0003000000e-03  2.7360000000e-04 -3.5100000000e-05  3.5894000000e-03 -2.1884000000e-03 -2.7809000000e-03 -4.7430000000e-03  6.4391000000e-03  4.2156000000e-03 -4.1058000000e-03
-
-JOB 23
-COORDS  5.4827400000e-01 -9.3832600000e-01 -7.9850100000e-01  1.3985020000e+00 -9.4965300000e-01 -3.5893800000e-01  2.8293000000e-01 -1.8574200000e+00 -8.3154000000e-01 -6.4080400000e-01  9.8675800000e-01  8.0475900000e-01 -1.2081500000e-01  1.7805390000e+00  6.7924400000e-01 -1.0009500000e-01  2.8564200000e-01  4.4102400000e-01
-ENERGY -1.526577843032e+02
-FORCES -1.2729000000e-03 -3.0766000000e-03  6.0830000000e-04 -7.1414000000e-03  2.8113000000e-03  2.4040000000e-04  2.4555000000e-03  4.6502000000e-03  1.8270000000e-04  5.1189000000e-03 -7.1672000000e-03 -9.4109000000e-03 -5.1010000000e-04 -3.3766000000e-03  1.7840000000e-04  1.3501000000e-03  6.1590000000e-03  8.2010000000e-03
-
-JOB 24
-COORDS -3.9238700000e-01  1.3659040000e+00  1.5887000000e-02 -9.9854900000e-01  1.5274280000e+00 -7.0710000000e-01 -2.1031300000e-01  4.2724000000e-01 -2.8744000000e-02  3.6913300000e-01 -1.2871490000e+00 -5.4180000000e-03  2.1150100000e-01 -1.9055300000e+00  7.0801700000e-01  1.3157330000e+00 -1.3171590000e+00 -1.4426700000e-01
-ENERGY -1.526618174297e+02
-FORCES  1.5008000000e-03 -1.2718000000e-02 -1.4313000000e-03  1.9180000000e-03 -1.5085000000e-03  1.9115000000e-03 -1.9215000000e-03  1.0430000000e-02 -9.1970000000e-04  1.5856000000e-03  1.7206000000e-03  2.9156000000e-03  2.0156000000e-03  2.4251000000e-03 -3.8141000000e-03 -5.0985000000e-03 -3.4940000000e-04  1.3380000000e-03
-
-JOB 25
-COORDS  7.6782800000e-01 -7.0778800000e-01  8.6150400000e-01  5.2458300000e-01 -9.7883700000e-01  1.7467140000e+00  1.4567490000e+00 -5.5961000000e-02  9.9089500000e-01 -7.6259900000e-01  7.1858200000e-01 -9.7303800000e-01 -3.8892300000e-01  3.5024000000e-02 -4.1684800000e-01 -1.6479790000e+00  8.4743800000e-01 -6.3284700000e-01
-ENERGY -1.526608093074e+02
-FORCES  4.0470000000e-04  4.5056000000e-03  1.6026000000e-03  1.3985000000e-03  2.0740000000e-03 -3.9230000000e-03 -3.5704000000e-03 -4.0055000000e-03  4.0240000000e-04  3.7079000000e-03 -7.2767000000e-03  9.1194000000e-03 -4.8011000000e-03  5.5216000000e-03 -7.0176000000e-03  2.8605000000e-03 -8.1890000000e-04 -1.8390000000e-04
-
-JOB 26
-COORDS -6.8472500000e-01 -1.8799200000e-01 -1.1550300000e+00 -1.4416090000e+00 -7.4629600000e-01 -1.3329440000e+00 -1.0169340000e+00  7.0452700000e-01 -1.2513540000e+00  7.3595500000e-01  1.4635900000e-01  1.2303530000e+00  2.6966300000e-01 -1.0835600000e-01  4.3415900000e-01  1.3829240000e+00  7.8701400000e-01  9.3501500000e-01
-ENERGY -1.526608960045e+02
-FORCES -3.2357000000e-03  1.1982000000e-03  1.6058000000e-03  3.2101000000e-03  3.7567000000e-03  5.1080000000e-04  2.1062000000e-03 -4.8558000000e-03  8.5660000000e-04 -4.0325000000e-03 -1.8856000000e-03 -1.1908200000e-02  4.6587000000e-03  2.9755000000e-03  8.5609000000e-03 -2.7068000000e-03 -1.1890000000e-03  3.7410000000e-04
-
-JOB 27
-COORDS -6.1247300000e-01  5.3213700000e-01 -1.1093820000e+00 -4.3468300000e-01 -2.4915400000e-01 -1.6330300000e+00 -1.0524400000e-01  1.2250300000e+00 -1.5322890000e+00  5.9869800000e-01 -4.9809300000e-01  1.2188380000e+00  7.1748800000e-01 -1.4062860000e+00  9.4080100000e-01  8.0629000000e-02 -9.8943000000e-02  5.1990000000e-01
-ENERGY -1.526596894787e+02
-FORCES  4.3704000000e-03  2.6470000000e-04 -2.7352000000e-03  1.7230000000e-04  3.3663000000e-03  4.7109000000e-03 -2.6881000000e-03 -4.1882000000e-03  1.5255000000e-03 -6.2231000000e-03  3.3149000000e-03 -1.0465900000e-02 -6.1290000000e-04  2.9541000000e-03 -5.4520000000e-04  4.9814000000e-03 -5.7118000000e-03  7.5099000000e-03
-
-JOB 28
-COORDS -3.0740000000e-03  7.5303900000e-01  1.2276010000e+00  9.1764600000e-01  8.8810900000e-01  1.4517930000e+00  1.9416000000e-02  2.4432800000e-01  4.1708300000e-01 -6.7380000000e-02 -7.3646300000e-01 -1.1325830000e+00 -4.4168200000e-01 -1.9500800000e-01 -1.8275330000e+00  6.6212500000e-01 -1.1935440000e+00 -1.5510710000e+00
-ENERGY -1.526609574554e+02
-FORCES  2.4017000000e-03 -7.3692000000e-03 -1.0024200000e-02 -2.3464000000e-03 -8.7750000000e-04 -1.2993000000e-03 -5.8740000000e-04  7.0226000000e-03  7.7658000000e-03  1.3884000000e-03  1.2243000000e-03 -1.3684000000e-03  2.8810000000e-03 -2.8867000000e-03  3.7026000000e-03 -3.7373000000e-03  2.8864000000e-03  1.2234000000e-03
-
-JOB 29
-COORDS  1.3352030000e+00  3.3432000000e-02 -5.1698100000e-01  4.8575800000e-01  2.2278300000e-01 -1.1845600000e-01  1.8584540000e+00  8.1750400000e-01 -3.5063700000e-01 -1.3025810000e+00 -2.5566000000e-02  4.6490600000e-01 -8.2743700000e-01 -5.9557800000e-01  1.0695190000e+00 -2.0341890000e+00 -5.5998700000e-01  1.5607700000e-01
-ENERGY -1.526590652006e+02
-FORCES -8.7579000000e-03  3.5647000000e-03  9.9850000000e-04  9.4379000000e-03 -2.9605000000e-03  3.7862000000e-03 -2.9127000000e-03 -2.4022000000e-03  1.5360000000e-04 -1.0841000000e-03 -5.4001000000e-03 -2.2739000000e-03  4.5790000000e-04  5.2482000000e-03 -5.7834000000e-03  2.8589000000e-03  1.9499000000e-03  3.1190000000e-03
-
-JOB 30
-COORDS -2.7108000000e-02 -1.3953950000e+00  4.4166600000e-01  2.3163700000e-01 -4.8172500000e-01  3.2129200000e-01 -5.6085200000e-01 -1.5969240000e+00 -3.2692700000e-01 -1.0779000000e-02  1.3140750000e+00 -3.8610900000e-01  6.2528700000e-01  1.3841840000e+00 -1.0979630000e+00  3.0728500000e-01  1.9226720000e+00  2.8073200000e-01
-ENERGY -1.526595968421e+02
-FORCES -3.0699000000e-03  1.2336000000e-02 -6.0208000000e-03  3.4904000000e-03 -7.8182000000e-03  3.6548000000e-03  1.9208000000e-03 -8.1810000000e-04  1.7793000000e-03  1.5945000000e-03  2.6576000000e-03 -5.2290000000e-04 -3.1862000000e-03 -1.7372000000e-03  4.5657000000e-03 -7.4970000000e-04 -4.6201000000e-03 -3.4561000000e-03
-
-JOB 31
-COORDS  1.2819400000e-01  1.2823720000e+00 -4.4400300000e-01 -8.2477200000e-01  1.2107470000e+00 -3.8962300000e-01  2.9923100000e-01  2.2240730000e+00 -4.3065200000e-01 -9.1121000000e-02 -1.3941900000e+00  3.9033000000e-01 -1.6290700000e-01 -1.4272350000e+00  1.3442620000e+00  1.5646200000e-01 -4.8947100000e-01  1.9949300000e-01
-ENERGY -1.526598214537e+02
-FORCES -1.3253000000e-03  1.9061000000e-03  9.1700000000e-05  6.5518000000e-03 -7.0330000000e-04  1.5776000000e-03 -2.7160000000e-03 -3.8456000000e-03 -4.3170000000e-04  4.3019000000e-03  8.3998000000e-03  5.1260000000e-04 -2.2250000000e-04  8.4110000000e-04 -3.1640000000e-03 -6.5899000000e-03 -6.5980000000e-03  1.4138000000e-03
-
-JOB 32
-COORDS -1.2332030000e+00 -7.6446000000e-01 -4.5067000000e-02 -1.3077030000e+00 -1.0244660000e+00 -9.6326000000e-01 -4.6893700000e-01 -1.8870200000e-01 -1.9932000000e-02  1.1325880000e+00  7.5520200000e-01  1.3092300000e-01  1.3381220000e+00  1.0529470000e+00 -7.5526800000e-01  1.9355240000e+00  3.3128000000e-01  4.3393400000e-01
-ENERGY -1.526603617862e+02
-FORCES  1.0359200000e-02  6.0849000000e-03 -5.8140000000e-04  1.2828000000e-03  1.5383000000e-03  2.4439000000e-03 -9.2709000000e-03 -4.9718000000e-03 -2.9798000000e-03  3.0111000000e-03 -2.4330000000e-03 -5.1570000000e-04 -2.0486000000e-03 -3.1681000000e-03  4.2165000000e-03 -3.3336000000e-03  2.9497000000e-03 -2.5834000000e-03
-
-JOB 33
-COORDS  9.7902200000e-01 -8.4864200000e-01 -6.7710300000e-01  3.2359000000e-01 -5.6702300000e-01 -3.8878000000e-02  4.6894700000e-01 -1.2190920000e+00 -1.3973960000e+00 -9.2232400000e-01  7.9664400000e-01  7.1350700000e-01 -3.2615200000e-01  1.4685010000e+00  1.0442910000e+00 -1.2197900000e+00  1.1345780000e+00 -1.3120900000e-01
-ENERGY -1.526602136396e+02
-FORCES -9.1466000000e-03  3.1406000000e-03  4.9540000000e-03  6.9747000000e-03 -4.5502000000e-03 -5.8163000000e-03  9.6420000000e-04  2.3180000000e-03  2.2125000000e-03  2.5123000000e-03  5.7352000000e-03 -3.3229000000e-03 -3.0297000000e-03 -3.7606000000e-03 -1.8893000000e-03  1.7251000000e-03 -2.8831000000e-03  3.8620000000e-03
-
-JOB 34
-COORDS  7.2281400000e-01  6.5688000000e-01  9.7454800000e-01  1.2330230000e+00  1.3619230000e+00  5.7600800000e-01  1.9675400000e-01  1.0912780000e+00  1.6459580000e+00 -7.9052000000e-01 -7.2180400000e-01 -9.9257500000e-01 -1.8844500000e-01 -1.0650800000e+00 -1.6528020000e+00 -2.2178100000e-01 -4.0277900000e-01 -2.9186800000e-01
-ENERGY -1.526614304811e+02
-FORCES -2.1083000000e-03  4.3417000000e-03 -5.9010000000e-04 -2.4620000000e-03 -3.3722000000e-03  2.2835000000e-03  3.2317000000e-03 -1.4029000000e-03 -3.4435000000e-03  7.8488000000e-03  3.9267000000e-03  7.0602000000e-03 -1.0490000000e-03  1.9155000000e-03  2.2805000000e-03 -5.4613000000e-03 -5.4087000000e-03 -7.5906000000e-03
-
-JOB 35
-COORDS -8.9092100000e-01 -1.0158630000e+00 -5.0669900000e-01 -8.0493500000e-01 -1.9360960000e+00 -2.5768100000e-01 -1.5373500000e-01 -5.8129600000e-01 -7.7816000000e-02  8.7009100000e-01  9.9719800000e-01  4.4169300000e-01  3.6919000000e-01  1.0468580000e+00  1.2558570000e+00  8.6977400000e-01  1.8931150000e+00  1.0470100000e-01
-ENERGY -1.526596344976e+02
-FORCES  7.4385000000e-03  4.4158000000e-03  1.5429000000e-03  8.1420000000e-04  4.0362000000e-03  2.5670000000e-04 -7.1670000000e-03 -7.5146000000e-03  1.8629000000e-03 -3.5219000000e-03  4.8931000000e-03 -1.7177000000e-03  1.9726000000e-03 -2.6050000000e-03 -5.2014000000e-03  4.6350000000e-04 -3.2255000000e-03  3.2566000000e-03
-
-JOB 36
-COORDS  2.6378000000e-01  5.0404900000e-01 -1.3485430000e+00  9.3811800000e-01  1.1787620000e+00 -1.2694120000e+00  6.9309000000e-02  2.5207400000e-01 -4.4581300000e-01 -2.6594000000e-01 -4.9655700000e-01  1.2309000000e+00  2.1690700000e-01 -1.1087920000e+00  1.7861100000e+00 -1.1300690000e+00 -4.3383900000e-01  1.6378160000e+00
-ENERGY -1.526614317893e+02
-FORCES -1.9110000000e-04 -2.3921000000e-03  1.0636600000e-02 -1.8006000000e-03 -2.2440000000e-03  3.5540000000e-04  7.4480000000e-04  4.5447000000e-03 -8.5393000000e-03  1.1650000000e-04 -1.9443000000e-03 -2.2530000000e-04 -3.5069000000e-03  2.9635000000e-03 -1.0679000000e-03  4.6372000000e-03 -9.2790000000e-04 -1.1595000000e-03
-
-JOB 37
-COORDS -6.5725300000e-01 -1.2213090000e+00  3.2091200000e-01  5.5050000000e-03 -1.3242220000e+00  1.0038420000e+00 -2.9727500000e-01 -1.6856270000e+00 -4.3477100000e-01  6.2547700000e-01  1.2826870000e+00 -3.6822300000e-01  8.1396800000e-01  1.4418950000e+00  5.5663100000e-01  3.5622000000e-02  5.2883000000e-01 -3.6661600000e-01
-ENERGY -1.526587945326e+02
-FORCES  5.0691000000e-03 -3.7688000000e-03  1.0535000000e-03 -3.1564000000e-03  2.2066000000e-03 -3.7271000000e-03 -1.5440000000e-03  4.9971000000e-03  3.5921000000e-03 -7.1116000000e-03 -7.9727000000e-03  5.8665000000e-03  4.0970000000e-04 -9.8910000000e-04 -2.5607000000e-03  6.3331000000e-03  5.5269000000e-03 -4.2244000000e-03
-
-JOB 38
-COORDS  1.4494000000e-01  2.0315000000e-02 -1.3613040000e+00 -5.3562200000e-01 -6.1144100000e-01 -1.5935790000e+00  5.6672100000e-01  2.3542600000e-01 -2.1932060000e+00 -1.4925500000e-01  5.9470000000e-02  1.4452580000e+00 -4.3718000000e-01 -8.1952600000e-01  1.6916250000e+00  4.9189000000e-01 -8.4298000000e-02  7.4920000000e-01
-ENERGY -1.526571371290e+02
-FORCES -3.8745000000e-03 -8.3640000000e-04 -1.9852000000e-03  4.0963000000e-03  2.0676000000e-03  4.3200000000e-04 -2.3975000000e-03 -9.9010000000e-04  4.0612000000e-03  2.5810000000e-03 -2.1578000000e-03 -8.4634000000e-03  3.2130000000e-04  2.8745000000e-03 -1.8960000000e-03 -7.2650000000e-04 -9.5780000000e-04  7.8514000000e-03
-
-JOB 39
-COORDS -3.5980000000e-03  5.9757100000e-01  1.3331670000e+00  2.0804500000e-01  3.1847600000e-01  4.4235500000e-01  7.6779300000e-01  3.6134600000e-01  1.8483210000e+00 -1.9705000000e-02 -5.0959600000e-01 -1.3186780000e+00 -9.6923600000e-01 -5.9222200000e-01 -1.2303850000e+00  3.0318700000e-01 -1.4102590000e+00 -1.2907890000e+00
-ENERGY -1.526611854746e+02
-FORCES  3.7193000000e-03 -3.5018000000e-03 -8.9760000000e-03 -1.7526000000e-03  3.0809000000e-03  1.0486900000e-02 -2.2135000000e-03 -1.2720000000e-04 -2.5122000000e-03 -4.1538000000e-03 -4.6518000000e-03  5.1400000000e-05  5.8976000000e-03  4.9060000000e-04  2.5690000000e-04 -1.4970000000e-03  4.7093000000e-03  6.9300000000e-04
-
-JOB 40
-COORDS  1.0373610000e+00 -9.0197300000e-01 -3.0647500000e-01  1.7952730000e+00 -8.4287800000e-01  2.7516700000e-01  5.1000200000e-01 -1.6128150000e+00  5.7981000000e-02 -1.0525480000e+00  9.9766900000e-01  2.1593400000e-01 -3.9319900000e-01  3.0655400000e-01  1.5387800000e-01 -1.6657340000e+00  6.8530900000e-01  8.8126600000e-01
-ENERGY -1.526587116685e+02
-FORCES  3.5772000000e-03 -2.7879000000e-03  2.0748000000e-03 -4.6989000000e-03 -7.6260000000e-04 -2.6586000000e-03  5.7650000000e-04  7.3594000000e-03 -3.9510000000e-04  7.1439000000e-03 -6.5559000000e-03 -1.1854000000e-03 -9.8574000000e-03  3.3988000000e-03  4.4957000000e-03  3.2588000000e-03 -6.5180000000e-04 -2.3313000000e-03
-
-JOB 41
-COORDS -6.9583000000e-02 -9.6027100000e-01  1.1368390000e+00  9.7177000000e-02 -5.8231500000e-01  2.7337400000e-01 -7.7918900000e-01 -4.2919700000e-01  1.4982950000e+00  1.0896300000e-01  8.4669900000e-01 -1.1223880000e+00  7.5958500000e-01  1.4348170000e+00 -7.3893000000e-01 -6.7900300000e-01  1.3834200000e+00 -1.2076720000e+00
-ENERGY -1.526599901654e+02
-FORCES -2.3846000000e-03  7.7483000000e-03 -8.8521000000e-03  1.6683000000e-03 -5.2153000000e-03  7.6597000000e-03  1.8983000000e-03 -1.3547000000e-03 -3.3790000000e-04 -1.1570000000e-03  4.6748000000e-03  1.4243000000e-03 -4.1116000000e-03 -3.6248000000e-03 -1.1931000000e-03  4.0866000000e-03 -2.2283000000e-03  1.2991000000e-03
-
-JOB 42
-COORDS -1.4307500000e+00 -3.6307200000e-01 -2.9725000000e-02 -1.6813750000e+00 -4.0126200000e-01 -9.5274200000e-01 -5.1875600000e-01 -7.2584000000e-02 -4.0501000000e-02  1.3260470000e+00  3.7002300000e-01  8.8370000000e-02  1.9702380000e+00  4.0092100000e-01 -6.1894500000e-01  1.7865410000e+00 -5.1211000000e-02  8.1413800000e-01
-ENERGY -1.526613964658e+02
-FORCES  1.0199900000e-02  3.2553000000e-03 -2.4440000000e-03  1.3621000000e-03  2.3310000000e-04  2.4088000000e-03 -9.8982000000e-03 -2.9112000000e-03  3.8070000000e-04  2.2569000000e-03 -2.3146000000e-03  1.0950000000e-04 -2.4284000000e-03 -4.7830000000e-04  3.8432000000e-03 -1.4923000000e-03  2.2157000000e-03 -4.2981000000e-03
-
-JOB 43
-COORDS -2.0417000000e-01 -7.2720300000e-01  1.2854200000e+00 -1.7367100000e-01 -3.3547500000e-01  4.1257900000e-01  2.9982100000e-01 -1.2741200000e-01  1.8353970000e+00  2.1454800000e-01  6.6658200000e-01 -1.2071760000e+00  2.2267600000e-01  6.8468000000e-02 -1.9544540000e+00 -4.6203200000e-01  1.3089480000e+00 -1.4212750000e+00
-ENERGY -1.526616159004e+02
-FORCES  4.0012000000e-03  7.6511000000e-03 -8.3278000000e-03 -2.9520000000e-03 -6.0013000000e-03  7.7830000000e-03 -1.8090000000e-03 -1.6676000000e-03 -1.0277000000e-03 -1.6950000000e-03  6.7240000000e-04 -3.8469000000e-03 -9.5460000000e-04  3.1426000000e-03  4.3239000000e-03  3.4095000000e-03 -3.7972000000e-03  1.0955000000e-03
-
-JOB 44
-COORDS  5.3132900000e-01  1.0958610000e+00 -8.7337600000e-01  8.7396900000e-01  1.4422180000e+00 -4.9443000000e-02 -7.5056000000e-02  4.0396600000e-01 -6.0915800000e-01 -4.6341700000e-01 -1.0462510000e+00  7.8001700000e-01 -1.2769710000e+00 -1.3836020000e+00  4.0510800000e-01 -5.4039900000e-01 -1.2218650000e+00  1.7178150000e+00
-ENERGY -1.526578059967e+02
-FORCES -1.8856000000e-03 -7.2570000000e-03  1.0211600000e-02  4.4000000000e-05  9.7510000000e-04 -2.8643000000e-03 -1.4887000000e-03  3.2399000000e-03 -6.6714000000e-03 -1.2246000000e-03 -8.5410000000e-04  2.9621000000e-03  4.5808000000e-03  3.6299000000e-03  8.2660000000e-04 -2.5900000000e-05  2.6630000000e-04 -4.4647000000e-03
-
-JOB 45
-COORDS  1.0701290000e+00 -5.8644800000e-01 -6.8487000000e-01  9.0233200000e-01 -1.5273810000e+00 -7.3702700000e-01  1.9368180000e+00 -5.1907800000e-01 -2.8419200000e-01 -1.1055980000e+00  6.7966300000e-01  7.2440800000e-01 -1.8680050000e+00  5.3266500000e-01  1.6462400000e-01 -4.0481500000e-01  1.7364800000e-01  3.1320900000e-01
-ENERGY -1.526611800640e+02
-FORCES  4.0380000000e-03 -2.1162000000e-03  1.0593000000e-03 -5.4100000000e-05  5.4140000000e-03  1.0856000000e-03 -4.5254000000e-03 -1.2957000000e-03 -2.1271000000e-03  6.7030000000e-03 -4.2849000000e-03 -7.6838000000e-03  2.4934000000e-03 -3.5560000000e-04  1.5515000000e-03 -8.6550000000e-03  2.6384000000e-03  6.1145000000e-03
-
-JOB 46
-COORDS  3.3769300000e-01  1.0287920000e+00 -1.0422400000e+00  9.9487000000e-02  1.6710800000e+00 -3.7369300000e-01  1.2444000000e-02  1.9561100000e-01 -7.0127700000e-01 -3.5639200000e-01 -9.8858900000e-01  9.4862900000e-01  1.4662200000e-01 -6.0508800000e-01  1.6670560000e+00  4.4420000000e-03 -1.8692520000e+00  8.4634300000e-01
-ENERGY -1.526597922327e+02
-FORCES -4.9863000000e-03 -5.9141000000e-03  8.7533000000e-03  1.6763000000e-03 -1.1102000000e-03 -1.7098000000e-03  2.9711000000e-03  4.8360000000e-03 -6.8866000000e-03  4.4495000000e-03 -9.6750000000e-04  3.3613000000e-03 -2.7379000000e-03 -1.6630000000e-03 -3.5427000000e-03 -1.3727000000e-03  4.8187000000e-03  2.4600000000e-05
-
-JOB 47
-COORDS -1.3380070000e+00  4.1255200000e-01 -1.9437600000e-01 -1.6475460000e+00  5.9867900000e-01  6.9206300000e-01 -1.5648300000e+00  1.1949480000e+00 -6.9700800000e-01  1.4299500000e+00 -4.6233900000e-01  1.3905300000e-01  1.2656290000e+00 -9.9425500000e-01  9.1770300000e-01  5.8136900000e-01 -7.0510000000e-02 -6.7375000000e-02
-ENERGY -1.526607801365e+02
-FORCES -2.9747000000e-03  3.6732000000e-03  1.2439000000e-03  2.3596000000e-03 -1.0538000000e-03 -4.4498000000e-03  1.2194000000e-03 -3.7923000000e-03  3.1578000000e-03 -1.0974700000e-02  9.7510000000e-04 -3.7000000000e-06  4.2600000000e-04  1.9401000000e-03 -1.7455000000e-03  9.9444000000e-03 -1.7423000000e-03  1.7973000000e-03
-
-JOB 48
-COORDS  8.5114900000e-01  1.0857840000e+00  5.7433400000e-01  3.2510800000e-01  1.5849200000e+00  1.1991360000e+00  2.7058900000e-01  3.8489200000e-01  2.7780200000e-01 -8.2928900000e-01 -1.0429690000e+00 -5.5489200000e-01 -6.5504100000e-01 -8.4569200000e-01 -1.4751920000e+00 -2.7179000000e-01 -1.7965860000e+00 -3.6127300000e-01
-ENERGY -1.526618552456e+02
-FORCES -8.5731000000e-03 -5.6061000000e-03 -1.2647000000e-03  1.4438000000e-03 -1.7510000000e-03 -2.0011000000e-03  8.1909000000e-03  6.7725000000e-03  2.8957000000e-03  1.1740000000e-03 -4.0735000000e-03 -4.5575000000e-03 -6.3500000000e-05 -6.7970000000e-04  5.7063000000e-03 -2.1720000000e-03  5.3378000000e-03 -7.7870000000e-04
-
-JOB 49
-COORDS -4.4159900000e-01  1.2598230000e+00 -4.8973400000e-01 -2.6631900000e-01  2.2001490000e+00 -5.2574200000e-01 -1.3016670000e+00  1.1917250000e+00 -7.5153000000e-02  4.4452400000e-01 -1.3719820000e+00  4.7188200000e-01  1.0266000000e-01 -4.7855900000e-01  5.0587000000e-01  1.3904980000e+00 -1.2634050000e+00  3.7402500000e-01
-ENERGY -1.526581078903e+02
-FORCES -2.4623000000e-03  4.0420000000e-03 -5.5820000000e-04 -1.3494000000e-03 -4.4780000000e-03 -1.9300000000e-04  6.3818000000e-03 -1.1788000000e-03 -2.6200000000e-04  2.1997000000e-03  9.5192000000e-03 -4.1324000000e-03 -2.3025000000e-03 -6.6412000000e-03  4.3262000000e-03 -2.4674000000e-03 -1.2632000000e-03  8.1950000000e-04
-
-JOB 50
-COORDS -3.0946900000e-01 -1.4659700000e+00  8.8342000000e-02 -1.6831600000e-01 -5.6923800000e-01 -2.1527000000e-01 -4.7581000000e-01 -1.9664180000e+00 -7.1047900000e-01  3.2267700000e-01  1.3733280000e+00 -1.9087000000e-02  4.3061000000e-02  1.8457120000e+00 -8.0324300000e-01  4.1128300000e-01  2.0513670000e+00  6.5072200000e-01
-ENERGY -1.526596079544e+02
-FORCES  1.9078000000e-03  7.1850000000e-03 -1.7432000000e-03 -2.8897000000e-03 -9.2537000000e-03 -2.8779000000e-03  6.1620000000e-04  3.0575000000e-03  2.0948000000e-03 -3.1150000000e-04  3.8666000000e-03  3.3260000000e-03  9.1700000000e-04 -3.4745000000e-03  3.5452000000e-03 -2.3970000000e-04 -1.3808000000e-03 -4.3449000000e-03
-
-JOB 51
-COORDS  8.2955100000e-01 -6.8973200000e-01 -9.3621900000e-01  1.1289940000e+00 -1.5359000000e+00 -1.2687330000e+00  3.1817200000e-01 -3.1699900000e-01 -1.6544070000e+00 -8.6422300000e-01  7.1347700000e-01  1.0483510000e+00 -4.2882300000e-01  7.9550000000e-03  5.6991800000e-01 -4.9429300000e-01  1.5163400000e+00  6.8120600000e-01
-ENERGY -1.526600918969e+02
-FORCES  4.7420000000e-04 -2.5481000000e-03 -4.5929000000e-03 -1.6420000000e-03  4.3183000000e-03  6.7190000000e-04  2.1382000000e-03 -1.5700000000e-03  4.7933000000e-03  7.8460000000e-03 -2.8161000000e-03 -5.1551000000e-03 -6.6006000000e-03  4.6015000000e-03  3.7192000000e-03 -2.2158000000e-03 -1.9856000000e-03  5.6360000000e-04
-
-JOB 52
-COORDS -5.1070100000e-01  1.2875310000e+00 -3.4036600000e-01 -1.1597800000e+00  1.6539390000e+00 -9.4092700000e-01 -5.3635800000e-01  1.8652960000e+00  4.2236600000e-01  5.6253400000e-01 -1.3407440000e+00  3.9588300000e-01  2.2854000000e-02 -7.2308500000e-01 -9.7549000000e-02  8.5496400000e-01 -1.9778410000e+00 -2.5590300000e-01
-ENERGY -1.526604418219e+02
-FORCES -1.1932000000e-03  4.3492000000e-03  2.8897000000e-03  3.0306000000e-03 -1.7979000000e-03  2.8577000000e-03 -8.8110000000e-04 -1.4908000000e-03 -4.4663000000e-03 -2.3679000000e-03  5.5311000000e-03 -4.6570000000e-03  2.8998000000e-03 -9.2713000000e-03  1.8383000000e-03 -1.4881000000e-03  2.6797000000e-03  1.5376000000e-03
-
-JOB 53
-COORDS  7.2031800000e-01  2.7045500000e-01  1.3395940000e+00  5.6578000000e-02  9.4786200000e-01  1.4692100000e+00  3.9824800000e-01 -2.4239200000e-01  5.9831800000e-01 -6.0369500000e-01 -2.7235800000e-01 -1.2682880000e+00 -1.4855910000e+00 -4.0567200000e-01 -9.2084100000e-01 -7.1616600000e-01 -2.8248300000e-01 -2.2188030000e+00
-ENERGY -1.526583811924e+02
-FORCES -4.0839000000e-03  9.9190000000e-04 -8.3424000000e-03  1.5408000000e-03 -2.3839000000e-03  6.4760000000e-04  4.2340000000e-04  1.6330000000e-04  7.9398000000e-03 -2.2138000000e-03 -2.2600000000e-05 -4.3036000000e-03  5.2898000000e-03  1.0150000000e-03 -2.8770000000e-04 -9.5630000000e-04  2.3620000000e-04  4.3462000000e-03
-
-JOB 54
-COORDS -8.3295000000e-01 -2.2738600000e-01  1.2609540000e+00 -2.0158500000e-01 -2.7884000000e-02  5.6971600000e-01 -1.2894070000e+00  5.9973100000e-01  1.4150780000e+00  8.3164400000e-01  2.0006000000e-01 -1.1713360000e+00  2.1976200000e-01  4.2304400000e-01 -1.8728410000e+00  1.2905710000e+00 -5.7671700000e-01 -1.4910790000e+00
-ENERGY -1.526615886625e+02
-FORCES  5.0003000000e-03  4.1463000000e-03 -6.5193000000e-03 -6.3869000000e-03 -1.5307000000e-03  8.4334000000e-03  1.2744000000e-03 -2.5032000000e-03 -1.2316000000e-03 -3.9790000000e-04 -3.0154000000e-03 -5.1728000000e-03  3.0440000000e-03 -1.0774000000e-03  3.5460000000e-03 -2.5340000000e-03  3.9804000000e-03  9.4440000000e-04
-
-JOB 55
-COORDS -5.4736100000e-01 -1.2303380000e+00 -5.2402000000e-01 -1.2366530000e+00 -1.0129450000e+00 -1.1515940000e+00 -1.7482700000e-01 -2.0492670000e+00 -8.5083200000e-01  6.1131900000e-01  1.2955160000e+00  5.4675600000e-01  2.2648600000e-01  1.5902610000e+00  1.3721410000e+00  1.6916900000e-01  4.6783800000e-01  3.5785600000e-01
-ENERGY -1.526615328118e+02
-FORCES  4.4520000000e-04 -2.9817000000e-03 -4.3352000000e-03  3.3053000000e-03 -1.4012000000e-03  3.1079000000e-03 -3.0427000000e-03  3.1891000000e-03  5.3990000000e-04 -3.5976000000e-03 -6.9032000000e-03 -1.2700000000e-05  7.5320000000e-04 -1.4270000000e-03 -2.8976000000e-03  2.1366000000e-03  9.5240000000e-03  3.5978000000e-03
-
-JOB 56
-COORDS -1.4537000000e-01  5.1017800000e-01 -1.4073250000e+00 -1.0903590000e+00  6.5681600000e-01 -1.4488420000e+00  2.1952800000e-01  1.3625180000e+00 -1.1694240000e+00  1.3516200000e-01 -5.5422800000e-01  1.4392850000e+00  1.2969000000e-01 -3.7448500000e-01  4.9912900000e-01  9.7465000000e-01 -9.8655400000e-01  1.5960830000e+00
-ENERGY -1.526615542626e+02
-FORCES -3.5183000000e-03  5.9753000000e-03 -2.1404000000e-03  5.0834000000e-03 -6.6020000000e-04  7.2560000000e-04 -1.7511000000e-03 -5.1370000000e-03 -3.3060000000e-04  2.0435000000e-03 -2.9440000000e-04 -7.7845000000e-03  7.1410000000e-04 -1.7734000000e-03  1.0481500000e-02 -2.5717000000e-03  1.8899000000e-03 -9.5170000000e-04
-
-JOB 57
-COORDS -1.1172060000e+00  7.7922400000e-01  7.0629800000e-01 -3.3196800000e-01  4.8400900000e-01  1.1672540000e+00 -1.0860370000e+00  1.7340290000e+00  7.6635000000e-01  1.0192730000e+00 -8.7225500000e-01 -7.3410300000e-01  1.1731930000e+00 -2.6834500000e-01 -1.4606250000e+00  1.6491200000e+00 -6.0693000000e-01 -6.3933000000e-02
-ENERGY -1.526513224595e+02
-FORCES  4.8858000000e-03 -6.0870000000e-04  7.1090000000e-04 -2.2844000000e-03  2.7306000000e-03  4.4690000000e-04  6.1340000000e-04 -4.1647000000e-03 -1.2208000000e-03  5.2160000000e-04  5.1940000000e-03 -1.7619000000e-03  6.1090000000e-04 -2.9214000000e-03  2.8091000000e-03 -4.3473000000e-03 -2.2970000000e-04 -9.8410000000e-04
-
-JOB 58
-COORDS -4.3430000000e-01 -1.1593400000e-01 -1.4276700000e+00 -2.5422900000e-01 -7.8210900000e-01 -2.0910080000e+00 -1.3885570000e+00 -1.0252300000e-01 -1.3538810000e+00  4.5838700000e-01  2.1434900000e-01  1.5027930000e+00  1.0574490000e+00 -4.6317500000e-01  1.8163480000e+00  2.5935500000e-01 -3.9639000000e-02  6.0162300000e-01
-ENERGY -1.526609634523e+02
-FORCES -3.8176000000e-03 -1.9110000000e-03 -4.8617000000e-03 -1.3769000000e-03  2.9975000000e-03  3.0706000000e-03  5.0972000000e-03 -7.5610000000e-04 -2.2550000000e-04  6.8670000000e-04 -3.0147000000e-03 -6.8127000000e-03 -1.9957000000e-03  1.9803000000e-03 -1.4159000000e-03  1.4063000000e-03  7.0400000000e-04  1.0245200000e-02
-
-JOB 59
-COORDS  7.1596300000e-01 -1.4554330000e+00 -2.9116600000e-01  5.1387300000e-01 -5.2244600000e-01 -2.2097600000e-01 -6.7559000000e-02 -1.8419420000e+00 -6.8223700000e-01 -6.2224700000e-01  1.4229490000e+00  2.4710400000e-01 -4.4054600000e-01  1.9996070000e+00  9.8918300000e-01 -1.3360010000e+00  8.6108600000e-01  5.4892700000e-01
-ENERGY -1.526593612407e+02
-FORCES -3.4058000000e-03  5.5944000000e-03 -1.7452000000e-03  1.3983000000e-03 -9.0419000000e-03 -4.0490000000e-04  2.1619000000e-03  1.4976000000e-03  2.1087000000e-03 -3.2270000000e-03  3.1903000000e-03  5.7474000000e-03 -1.5124000000e-03 -2.6277000000e-03 -3.3683000000e-03  4.5849000000e-03  1.3874000000e-03 -2.3376000000e-03
-
-JOB 60
-COORDS -1.0270100000e+00  2.3890200000e-01 -1.2029700000e+00 -9.0200900000e-01  2.0359000000e-02 -2.1264660000e+00 -2.5987100000e-01  7.6386400000e-01 -9.7461800000e-01  9.7860000000e-01 -3.2751700000e-01  1.2546820000e+00  1.5667350000e+00  2.2506500000e-01  7.3991700000e-01  3.1923000000e-01  2.7657600000e-01  1.5960560000e+00
-ENERGY -1.526518058945e+02
-FORCES  4.8414000000e-03 -9.1690000000e-04 -1.7798000000e-03 -2.8890000000e-04  9.9690000000e-04  3.9006000000e-03 -2.7232000000e-03  8.5800000000e-05 -5.0180000000e-04 -2.0221000000e-03  3.1976000000e-03 -3.0720000000e-04 -3.7489000000e-03 -1.6786000000e-03  5.6310000000e-04  3.9418000000e-03 -1.6849000000e-03 -1.8748000000e-03
-
-JOB 61
-COORDS -2.8482300000e-01  1.3730390000e+00 -8.9223100000e-01 -5.5121100000e-01  8.7522300000e-01 -1.6651790000e+00  2.3411100000e-01  7.5589500000e-01 -3.7641000000e-01  2.1838400000e-01 -1.2924730000e+00  8.6662200000e-01  1.0546420000e+00 -1.6719020000e+00  5.9655200000e-01  2.7937700000e-01 -1.2311490000e+00  1.8199060000e+00
-ENERGY -1.526585105932e+02
-FORCES -5.3900000000e-05 -7.9615000000e-03  1.6575000000e-03  1.2001000000e-03  2.3220000000e-03  1.8787000000e-03  5.4880000000e-04  6.6186000000e-03 -4.6615000000e-03  1.9857000000e-03 -3.8284000000e-03  5.3316000000e-03 -3.9780000000e-03  3.3716000000e-03  4.4150000000e-04  2.9750000000e-04 -5.2230000000e-04 -4.6478000000e-03
-
-JOB 62
-COORDS  5.7581600000e-01 -9.2371600000e-01 -1.3387390000e+00  8.8790600000e-01 -1.2157290000e+00 -4.8225800000e-01  6.4561600000e-01  3.0410000000e-02 -1.3070770000e+00 -5.4565100000e-01  8.9629500000e-01  1.3263570000e+00 -1.1587120000e+00  1.6673100000e-01  1.4165040000e+00 -8.4820400000e-01  1.3696380000e+00  5.5134700000e-01
-ENERGY -1.526561812382e+02
-FORCES  2.7342000000e-03  3.6309000000e-03  5.8098000000e-03 -1.3991000000e-03 -6.6900000000e-04 -4.2872000000e-03 -1.5016000000e-03 -2.9617000000e-03 -1.7694000000e-03 -5.7741000000e-03 -1.2047000000e-03 -2.5506000000e-03  3.1843000000e-03  3.0935000000e-03  2.1750000000e-04  2.7563000000e-03 -1.8891000000e-03  2.5799000000e-03
-
-JOB 63
-COORDS -7.5943300000e-01  9.2302800000e-01  1.1247850000e+00 -4.2862400000e-01  1.7894030000e+00  1.3618300000e+00 -7.7576500000e-01  4.3832600000e-01  1.9500300000e+00  7.3968200000e-01 -1.0134750000e+00 -1.2009940000e+00  1.2695550000e+00 -3.5613300000e-01 -1.6519560000e+00  2.6564800000e-01 -5.2108800000e-01 -5.3086000000e-01
-ENERGY -1.526597952862e+02
-FORCES -7.5400000000e-05  3.4089000000e-03  6.2955000000e-03 -1.4735000000e-03 -3.9793000000e-03 -8.0210000000e-04  4.3720000000e-04  2.3274000000e-03 -4.0837000000e-03 -1.6465000000e-03  6.3663000000e-03  2.5514000000e-03 -1.4225000000e-03 -2.3707000000e-03  1.2983000000e-03  4.1806000000e-03 -5.7527000000e-03 -5.2595000000e-03
-
-JOB 64
-COORDS  9.1815600000e-01 -1.4998520000e+00 -2.6487000000e-02  5.5767200000e-01 -6.2441800000e-01 -1.6754500000e-01  2.4834600000e-01 -1.9559800000e+00  4.8295700000e-01 -7.9761200000e-01  1.4898040000e+00  2.1682000000e-02 -1.5306370000e+00  1.2714610000e+00  5.9721000000e-01 -1.1715160000e+00  1.4748790000e+00 -8.5934300000e-01
-ENERGY -1.526584520350e+02
-FORCES -4.4068000000e-03  4.5019000000e-03  2.1212000000e-03  2.8636000000e-03 -7.7944000000e-03 -1.0753000000e-03  2.1610000000e-03  1.2980000000e-03 -1.8582000000e-03 -6.5853000000e-03  2.9823000000e-03 -6.7700000000e-04  3.6632000000e-03  1.2980000000e-04 -2.9634000000e-03  2.3044000000e-03 -1.1177000000e-03  4.4528000000e-03
-
-JOB 65
-COORDS -1.3338700000e+00 -6.7659800000e-01  7.1960600000e-01 -1.7568530000e+00 -1.4022570000e+00  2.6054600000e-01 -1.6934210000e+00 -7.1122000000e-01  1.6060350000e+00  1.3962370000e+00  7.1715800000e-01 -6.7360500000e-01  1.6246000000e+00  9.8454000000e-02 -1.3673540000e+00  8.7626200000e-01  1.3897440000e+00 -1.1134740000e+00
-ENERGY -1.526521709829e+02
-FORCES -2.2659000000e-03 -3.1693000000e-03  2.3195000000e-03  2.0160000000e-03  3.2319000000e-03  1.4108000000e-03  1.4663000000e-03  3.2150000000e-04 -3.8728000000e-03 -3.6418000000e-03 -7.2330000000e-04 -3.4895000000e-03 -5.1350000000e-04  2.3941000000e-03  2.4564000000e-03  2.9389000000e-03 -2.0549000000e-03  1.1757000000e-03
-
-JOB 66
-COORDS -1.3940170000e+00 -5.7335500000e-01 -1.0259790000e+00 -1.2020920000e+00 -7.7462200000e-01 -1.1007100000e-01 -5.9647600000e-01 -8.1485400000e-01 -1.4969760000e+00  1.3690340000e+00  5.9990400000e-01  9.3707600000e-01  7.1492100000e-01 -3.1600000000e-02  1.2363580000e+00  1.4256730000e+00  1.2408500000e+00  1.6457450000e+00
-ENERGY -1.526527096406e+02
-FORCES  5.2887000000e-03 -5.9910000000e-04  9.4960000000e-04 -5.9700000000e-05  6.7280000000e-04 -1.9768000000e-03 -4.2141000000e-03  4.1900000000e-05  1.8715000000e-03 -2.3092000000e-03  1.5924000000e-03  4.6746000000e-03  1.4198000000e-03  1.2462000000e-03 -2.5393000000e-03 -1.2550000000e-04 -2.9541000000e-03 -2.9796000000e-03
-
-JOB 67
-COORDS  3.5101100000e-01  1.6268350000e+00 -6.4096900000e-01  1.0185670000e+00  1.1646480000e+00 -1.1479060000e+00  7.6934500000e-01  1.8039660000e+00  2.0155900000e-01 -4.1116000000e-01 -1.6238350000e+00  6.8423600000e-01 -9.7913100000e-01 -1.0145860000e+00  2.1258300000e-01  1.4537300000e-01 -2.0069540000e+00  6.2070000000e-03
-ENERGY -1.526562588965e+02
-FORCES  5.5368000000e-03 -5.0640000000e-04  2.5372000000e-03 -3.2293000000e-03  1.2923000000e-03  1.7173000000e-03 -1.6779000000e-03 -3.8500000000e-05 -4.0855000000e-03 -7.9140000000e-04  2.4583000000e-03 -5.3302000000e-03  1.7192000000e-03 -4.6737000000e-03  2.4947000000e-03 -1.5574000000e-03  1.4681000000e-03  2.6666000000e-03
-
-JOB 68
-COORDS  1.2854700000e+00  2.8542900000e-01 -1.1407210000e+00  2.0150330000e+00  4.2460900000e-01 -1.7445400000e+00  7.3937900000e-01  1.0652310000e+00 -1.2403530000e+00 -1.2859630000e+00 -2.9853100000e-01  1.1330970000e+00 -6.6627900000e-01 -5.7348900000e-01  1.8088360000e+00 -2.0859110000e+00 -7.8667300000e-01  1.3281140000e+00
-ENERGY -1.526545522817e+02
-FORCES -9.1550000000e-04  4.0863000000e-03 -2.5729000000e-03 -3.0474000000e-03 -8.3560000000e-04  2.6226000000e-03  3.6901000000e-03 -2.5727000000e-03 -5.9630000000e-04  5.4150000000e-04 -4.0335000000e-03  3.2132000000e-03 -3.4593000000e-03  1.2911000000e-03 -1.8238000000e-03  3.1906000000e-03  2.0644000000e-03 -8.4270000000e-04
-
-JOB 69
-COORDS  2.3226400000e-01 -1.2667200000e+00 -1.3043810000e+00  3.8488700000e-01 -1.9737650000e+00 -1.9312990000e+00 -2.7025800000e-01 -6.1585200000e-01 -1.7943540000e+00 -2.3066500000e-01  1.1986550000e+00  1.3790480000e+00  2.7339200000e-01  1.7835050000e+00  1.9448310000e+00 -4.3164300000e-01  1.7266190000e+00  6.0633000000e-01
-ENERGY -1.526521505151e+02
-FORCES -1.7988000000e-03 -3.2430000000e-04 -4.1693000000e-03 -4.8590000000e-04  2.9496000000e-03  2.8825000000e-03  2.1591000000e-03 -2.0756000000e-03  1.8741000000e-03  2.0417000000e-03  3.9656000000e-03 -1.1229000000e-03 -2.1976000000e-03 -2.4576000000e-03 -2.1829000000e-03  2.8150000000e-04 -2.0578000000e-03  2.7186000000e-03
-
-JOB 70
-COORDS  1.7600830000e+00 -6.4194500000e-01  5.1280000000e-02  2.3472440000e+00 -1.2759090000e+00 -3.6050100000e-01  1.8238000000e+00 -8.2893300000e-01  9.8787400000e-01 -1.8416180000e+00  7.1091900000e-01 -1.2562000000e-01 -1.5150950000e+00  1.1700060000e+00  6.4823600000e-01 -1.4083210000e+00 -1.4218600000e-01 -9.9191000000e-02
-ENERGY -1.526554792861e+02
-FORCES  4.6100000000e-03 -3.3417000000e-03  1.4121000000e-03 -2.5403000000e-03  2.6483000000e-03  2.0180000000e-03 -1.2832000000e-03  9.3850000000e-04 -4.0084000000e-03  5.2989000000e-03 -1.7754000000e-03  2.3875000000e-03 -2.0163000000e-03 -1.5965000000e-03 -2.3751000000e-03 -4.0691000000e-03  3.1269000000e-03  5.6590000000e-04
-
-JOB 71
-COORDS  3.9734100000e-01  1.7959910000e+00  9.6760300000e-01  8.1874800000e-01  9.8767000000e-01  6.7560200000e-01  7.4469000000e-02  2.2023870000e+00  1.6334700000e-01 -4.6018100000e-01 -1.8025780000e+00 -9.1419000000e-01  2.0680200000e-01 -1.5161290000e+00 -1.5381390000e+00 -1.0326600000e-01 -1.5690330000e+00 -5.7276000000e-02
-ENERGY -1.526530815705e+02
-FORCES -2.2160000000e-04 -8.2770000000e-04 -4.8775000000e-03 -1.7352000000e-03  2.0547000000e-03  1.3547000000e-03  1.8471000000e-03 -1.5843000000e-03  3.5312000000e-03  3.5219000000e-03  7.2380000000e-04  1.0353000000e-03 -2.8085000000e-03 -4.0980000000e-04  3.1747000000e-03 -6.0370000000e-04  4.3300000000e-05 -4.2183000000e-03
-
-JOB 72
-COORDS -3.3030300000e-01 -1.9367590000e+00  7.9325000000e-01  4.4529600000e-01 -1.4247120000e+00  5.6415200000e-01 -8.3869300000e-01 -1.9777270000e+00 -1.6745000000e-02  3.0321100000e-01  1.8967810000e+00 -6.6331300000e-01  8.4169200000e-01  2.5588940000e+00 -1.0967600000e+00 -9.3226000000e-02  1.4025460000e+00 -1.3808100000e+00
-ENERGY -1.526543955157e+02
-FORCES  1.3621000000e-03  3.0184000000e-03 -3.5965000000e-03 -3.2588000000e-03 -3.5311000000e-03  5.2310000000e-04  1.9782000000e-03  1.4640000000e-04  2.8420000000e-03  1.9330000000e-04  2.2089000000e-03 -4.8337000000e-03 -2.3208000000e-03 -2.9518000000e-03  1.8205000000e-03  2.0460000000e-03  1.1092000000e-03  3.2445000000e-03
-
-JOB 73
-COORDS  4.8492100000e-01  1.2242450000e+00 -1.5929920000e+00  9.3303700000e-01  1.7488780000e+00 -9.2952900000e-01  6.5522600000e-01  1.6819880000e+00 -2.4162170000e+00 -4.8858200000e-01 -1.2571060000e+00  1.6616470000e+00 -2.6721800000e-01 -2.0162770000e+00  1.1223060000e+00 -1.2635120000e+00 -8.8277800000e-01  1.2426070000e+00
-ENERGY -1.526553312317e+02
-FORCES  3.0381000000e-03  4.1438000000e-03 -2.2650000000e-04 -1.9609000000e-03 -1.7385000000e-03 -3.3154000000e-03 -7.1820000000e-04 -1.9320000000e-03  3.3747000000e-03 -2.0779000000e-03 -1.1968000000e-03 -5.1564000000e-03 -9.7380000000e-04  2.4980000000e-03  2.7271000000e-03  2.6927000000e-03 -1.7746000000e-03  2.5964000000e-03
-
-JOB 74
-COORDS -1.0691800000e-01 -2.1108690000e+00  5.1589600000e-01  8.1003000000e-02 -1.2591370000e+00  9.1019400000e-01 -8.9926300000e-01 -2.4117060000e+00  9.6077600000e-01  1.3749600000e-01  2.0608930000e+00 -6.3023500000e-01  2.1809700000e-01  2.9262980000e+00 -2.2922500000e-01  1.1336000000e-01  1.4546390000e+00  1.1010700000e-01
-ENERGY -1.526523120121e+02
-FORCES -2.7248000000e-03  1.5400000000e-03  3.2454000000e-03 -8.4730000000e-04 -2.1498000000e-03 -1.7600000000e-03  3.5209000000e-03  1.3487000000e-03 -1.8180000000e-03  3.3230000000e-04  1.4445000000e-03  4.2798000000e-03 -4.0880000000e-04 -3.7919000000e-03 -1.7391000000e-03  1.2760000000e-04  1.6085000000e-03 -2.2082000000e-03
-
-JOB 75
-COORDS -4.1439800000e-01  2.0004480000e+00  1.4657250000e+00 -6.3041000000e-02  1.2447810000e+00  9.9482400000e-01  5.6711000000e-02  2.0042510000e+00  2.2989560000e+00  3.6319500000e-01 -1.8921120000e+00 -1.4679430000e+00  5.4198200000e-01 -2.6835460000e+00 -9.6010500000e-01  2.3151300000e-01 -2.2057250000e+00 -2.3626710000e+00
-ENERGY -1.526551883799e+02
-FORCES  3.3445000000e-03 -3.4788000000e-03  7.2760000000e-04 -1.4050000000e-03  3.7470000000e-03  2.8821000000e-03 -1.8836000000e-03  6.3000000000e-06 -3.1705000000e-03 -5.7800000000e-05 -4.7848000000e-03 -2.2998000000e-03 -6.4810000000e-04  3.4432000000e-03 -1.8912000000e-03  6.5010000000e-04  1.0670000000e-03  3.7518000000e-03
-
-JOB 76
-COORDS -2.6029300000e-01 -2.1182610000e+00 -1.1726810000e+00 -4.5865000000e-01 -2.9836150000e+00 -8.1484200000e-01  4.2898300000e-01 -2.2774430000e+00 -1.8175000000e+00  2.2450000000e-01  2.2257230000e+00  1.2423120000e+00  9.6693000000e-01  2.0902860000e+00  6.5351100000e-01 -4.3450500000e-01  1.5979610000e+00  9.4590100000e-01
-ENERGY -1.526553186425e+02
-FORCES  1.8692000000e-03 -4.8216000000e-03 -1.3176000000e-03  8.6360000000e-04  3.5892000000e-03 -1.5634000000e-03 -2.7729000000e-03  8.2570000000e-04  2.7378000000e-03  1.2960000000e-04 -3.8528000000e-03 -3.9195000000e-03 -2.6158000000e-03  9.9160000000e-04  2.4233000000e-03  2.5264000000e-03  3.2679000000e-03  1.6393000000e-03
-
-JOB 77
-COORDS -3.7708500000e-01 -1.2235340000e+00 -2.0974740000e+00 -3.8942800000e-01 -2.1480470000e+00 -1.8497750000e+00  1.5400500000e-01 -1.1953800000e+00 -2.8933270000e+00  3.9846700000e-01  1.3136780000e+00  2.1441550000e+00 -1.2763400000e-01  7.7100100000e-01  2.7314810000e+00 -2.9736000000e-02  1.2300230000e+00  1.2921720000e+00
-ENERGY -1.526551893254e+02
-FORCES  2.4079000000e-03 -3.8726000000e-03 -2.6993000000e-03 -6.6600000000e-05  3.8527000000e-03 -9.1700000000e-04 -2.2798000000e-03 -2.1260000000e-04  3.2501000000e-03 -3.9548000000e-03 -2.7483000000e-03 -1.8072000000e-03  2.1365000000e-03  2.1347000000e-03 -2.0829000000e-03  1.7568000000e-03  8.4610000000e-04  4.2563000000e-03
-
-JOB 78
-COORDS -4.4557000000e-01 -3.0410000000e-03 -2.5887920000e+00  5.9724000000e-02  7.2029500000e-01 -2.2177180000e+00 -4.0995900000e-01 -6.8801200000e-01 -1.9211260000e+00  4.3205500000e-01 -5.4958000000e-02  2.5100460000e+00 -1.7793800000e-01  1.7462800000e-01  3.2110670000e+00  7.5313700000e-01  7.8660000000e-01  2.1861350000e+00
-ENERGY -1.526546220679e+02
-FORCES  2.2142000000e-03 -2.6750000000e-04  4.5626000000e-03 -2.0024000000e-03 -2.5720000000e-03 -1.5399000000e-03 -1.9920000000e-04  2.9400000000e-03 -3.2306000000e-03 -1.2209000000e-03  4.3936000000e-03  2.4365000000e-03  2.6036000000e-03 -9.0050000000e-04 -2.9678000000e-03 -1.3953000000e-03 -3.5935000000e-03  7.3920000000e-04
-
-JOB 79
-COORDS  9.2829300000e-01 -2.3526460000e+00  8.4141300000e-01  4.2618600000e-01 -2.9742280000e+00  1.3684390000e+00  3.0541400000e-01 -1.6562080000e+00  6.3350100000e-01 -8.6919700000e-01  2.4074290000e+00 -8.8417400000e-01 -4.9497500000e-01  2.1721670000e+00 -3.5150000000e-02 -1.0673530000e+00  1.5683080000e+00 -1.2999160000e+00
-ENERGY -1.526533557693e+02
-FORCES -4.5112000000e-03 -2.9990000000e-04  1.5330000000e-03  2.0904000000e-03  2.7214000000e-03 -2.2632000000e-03  2.4755000000e-03 -2.2116000000e-03  6.2490000000e-04  9.8770000000e-04 -3.8377000000e-03  1.4440000000e-03 -1.8299000000e-03  4.6200000000e-04 -3.5341000000e-03  7.8750000000e-04  3.1658000000e-03  2.1954000000e-03
-
-JOB 80
-COORDS  1.1345370000e+00 -2.1883460000e+00  9.3713200000e-01  2.0575440000e+00 -2.4221500000e+00  8.3902600000e-01  6.7378400000e-01 -2.7717860000e+00  3.3419200000e-01 -1.1823550000e+00  2.1960300000e+00 -9.5048700000e-01 -1.0368130000e+00  1.8808280000e+00 -5.8468000000e-02 -9.0639900000e-01  3.1123430000e+00 -9.2924800000e-01
-ENERGY -1.526547197944e+02
-FORCES  1.8958000000e-03 -3.4452000000e-03 -3.2040000000e-03 -3.7324000000e-03  9.3250000000e-04  4.9800000000e-04  1.9447000000e-03  2.2743000000e-03  2.6519000000e-03  1.9865000000e-03  2.0312000000e-03  4.0126000000e-03 -9.6250000000e-04  1.8064000000e-03 -3.7970000000e-03 -1.1321000000e-03 -3.5992000000e-03 -1.6160000000e-04
-
-JOB 81
-COORDS -7.4009000000e-01  2.0218150000e+00 -1.8379810000e+00 -9.7491600000e-01  2.3112640000e+00 -9.5633000000e-01 -1.1293790000e+00  1.1508640000e+00 -1.9162830000e+00  7.7514900000e-01 -2.0534360000e+00  1.7778590000e+00  8.3165000000e-02 -1.5279570000e+00  2.1794330000e+00  1.4836780000e+00 -1.4313770000e+00  1.6127500000e+00
-ENERGY -1.526540873164e+02
-FORCES -2.7805000000e-03 -2.4315000000e-03  2.8803000000e-03  1.1519000000e-03 -1.2861000000e-03 -3.3828000000e-03  1.6266000000e-03  3.7722000000e-03  4.8570000000e-04  5.1980000000e-04  4.5140000000e-03  1.1842000000e-03  2.6259000000e-03 -2.0130000000e-03 -1.9030000000e-03 -3.1438000000e-03 -2.5557000000e-03  7.3560000000e-04
-
-JOB 82
-COORDS -6.2841600000e-01 -2.4973320000e+00  1.3709790000e+00 -2.7441500000e-01 -2.4127630000e+00  4.8567500000e-01 -3.0986900000e-01 -3.3466220000e+00  1.6767020000e+00  5.9301900000e-01  2.4733330000e+00 -1.3405680000e+00  2.6732300000e-01  3.0327720000e+00 -2.0456800000e+00  8.3517000000e-01  3.0826510000e+00 -6.4319700000e-01
-ENERGY -1.526543358669e+02
-FORCES  2.8392000000e-03 -2.7081000000e-03 -2.6756000000e-03 -1.5162000000e-03 -8.4110000000e-04  3.7821000000e-03 -1.3080000000e-03  3.3995000000e-03 -1.1647000000e-03 -5.1010000000e-04  4.8519000000e-03  2.5390000000e-04  1.3777000000e-03 -2.3102000000e-03  2.8101000000e-03 -8.8260000000e-04 -2.3920000000e-03 -3.0058000000e-03
-
-JOB 83
-COORDS -6.4532800000e-01  2.0704110000e+00 -2.3289490000e+00 -4.0469400000e-01  2.2705630000e+00 -1.4243680000e+00 -2.9948000000e-02  1.3873990000e+00 -2.5954710000e+00  6.4428900000e-01 -1.9924440000e+00  2.3121100000e+00  7.5027700000e-01 -2.9412830000e+00  2.2435420000e+00 -2.6507600000e-01 -1.8336290000e+00  2.0590000000e+00
-ENERGY -1.526544519598e+02
-FORCES  3.7741000000e-03 -1.8365000000e-03  2.6339000000e-03 -1.1967000000e-03 -8.3420000000e-04 -3.7210000000e-03 -2.6586000000e-03  2.7207000000e-03  9.9580000000e-04 -3.3572000000e-03 -3.5002000000e-03 -1.0069000000e-03 -4.2200000000e-04  3.9277000000e-03  2.1550000000e-04  3.8605000000e-03 -4.7750000000e-04  8.8270000000e-04
-
-JOB 84
-COORDS  1.7301500000e-01  2.0428370000e+00  2.5236530000e+00 -7.8411200000e-01  2.0335990000e+00  2.5162440000e+00  4.2127700000e-01  1.1219940000e+00  2.6051740000e+00 -1.3730300000e-01 -1.9677520000e+00 -2.4658030000e+00 -8.5630200000e-01 -2.0352390000e+00 -3.0940690000e+00  6.3612900000e-01 -2.2479820000e+00 -2.9551960000e+00
-ENERGY -1.526543301976e+02
-FORCES -2.8960000000e-03 -4.0726000000e-03 -1.4040000000e-04  3.8106000000e-03  1.9840000000e-04  2.1740000000e-04 -9.4180000000e-04  3.8636000000e-03  8.5000000000e-06  3.2710000000e-04 -1.2909000000e-03 -4.7163000000e-03  2.8914000000e-03  2.3500000000e-04  2.6119000000e-03 -3.1912000000e-03  1.0664000000e-03  2.0189000000e-03
-
-JOB 85
-COORDS -4.3857900000e-01 -3.1504300000e+00  9.3664800000e-01 -1.3292000000e+00 -3.4888980000e+00  8.4463700000e-01  4.6536000000e-02 -3.5523230000e+00  2.1597000000e-01  5.1023100000e-01  3.2207050000e+00 -9.2005500000e-01  5.5840700000e-01  2.4888250000e+00 -3.0502300000e-01 -4.0723100000e-01  3.4927480000e+00 -8.9796400000e-01
-ENERGY -1.526544842373e+02
-FORCES -1.5878000000e-03 -3.3251000000e-03 -3.2977000000e-03  3.6189000000e-03  1.4903000000e-03  3.6760000000e-04 -2.0294000000e-03  1.7200000000e-03  2.9636000000e-03 -3.5164000000e-03 -2.0569000000e-03  2.7714000000e-03 -1.6900000000e-04  3.1913000000e-03 -2.6322000000e-03  3.6837000000e-03 -1.0196000000e-03 -1.7280000000e-04
-
-JOB 86
-COORDS -2.5440700000e-01  3.3498890000e+00  4.0661000000e-01  3.0582000000e-01  3.4039610000e+00  1.1808540000e+00 -9.5096000000e-01  2.7426940000e+00  6.5633000000e-01  2.8201300000e-01 -3.3810760000e+00 -4.5723700000e-01 -6.1678700000e-01 -3.0531280000e+00 -4.2824600000e-01  8.1482000000e-01 -2.6056910000e+00 -6.3366300000e-01
-ENERGY -1.526540870305e+02
-FORCES -6.1600000000e-04 -1.8409000000e-03  4.3694000000e-03 -2.3035000000e-03 -3.5670000000e-04 -3.2567000000e-03  2.9396000000e-03  2.2260000000e-03 -1.1742000000e-03 -1.4102000000e-03  4.4523000000e-03 -8.7610000000e-04  3.6342000000e-03 -1.2786000000e-03  3.9700000000e-05 -2.2442000000e-03 -3.2020000000e-03  8.9790000000e-04
-
-JOB 87
-COORDS -2.5147000000e-01  3.2284740000e+00 -1.2030280000e+00 -3.3449500000e-01  3.4608310000e+00 -2.1278790000e+00 -6.1236000000e-02  2.2903780000e+00 -1.2074090000e+00  2.4945700000e-01 -3.1864020000e+00  1.1947480000e+00  3.7898800000e-01 -3.9493310000e+00  1.7581250000e+00  4.7959000000e-02 -2.4726550000e+00  1.7998890000e+00
-ENERGY -1.526544019177e+02
-FORCES  4.6910000000e-04 -2.9824000000e-03 -3.9125000000e-03  3.2740000000e-04 -8.7620000000e-04  3.7622000000e-03 -8.1020000000e-04  3.9454000000e-03  1.5060000000e-04 -3.0180000000e-04 -3.5710000000e-04  4.9246000000e-03 -5.3080000000e-04  3.1176000000e-03 -2.3015000000e-03  8.4630000000e-04 -2.8474000000e-03 -2.6234000000e-03
-
-JOB 88
-COORDS -8.6000000000e-03  3.7193850000e+00  2.0312560000e+00 -7.8515800000e-01  3.1598120000e+00  2.0230780000e+00  7.1676700000e-01  3.1261150000e+00  1.8360510000e+00  3.4069000000e-02 -3.5861840000e+00 -2.0310590000e+00  5.3820300000e-01 -4.3189910000e+00 -1.6773990000e+00 -8.4040900000e-01 -3.9459890000e+00 -2.1795890000e+00
-ENERGY -1.526542657083e+02
-FORCES -1.8410000000e-04 -4.7990000000e-03 -9.9140000000e-04  3.1060000000e-03  2.3355000000e-03  1.2670000000e-04 -2.9261000000e-03  2.4859000000e-03  9.0130000000e-04 -1.4934000000e-03 -4.5724000000e-03  6.7960000000e-04 -2.0673000000e-03  3.0396000000e-03 -1.3867000000e-03  3.5648000000e-03  1.5103000000e-03  6.7050000000e-04
-
-JOB 89
-COORDS  4.3000100000e-01 -3.1700340000e+00  4.1505110000e+00  1.1524480000e+00 -3.0508310000e+00  4.7670270000e+00 -3.0335500000e-01 -3.4595980000e+00  4.6932570000e+00 -4.3902500000e-01  3.1170460000e+00 -4.2386180000e+00  3.8837900000e-01  3.5320620000e+00 -3.9949030000e+00 -1.1014350000e+00  3.7885750000e+00 -4.0758490000e+00
-ENERGY -1.526539957991e+02
-FORCES -6.1000000000e-05 -7.1420000000e-04  4.6911000000e-03 -2.9432000000e-03 -4.7300000000e-04 -2.5076000000e-03  2.9997000000e-03  1.1893000000e-03 -2.1969000000e-03  6.8450000000e-04  4.3668000000e-03  1.7414000000e-03 -3.3753000000e-03 -1.6541000000e-03 -1.0337000000e-03  2.6953000000e-03 -2.7148000000e-03 -6.9420000000e-04
-
-JOB 0
-COORDS -6.6112000000e-01 -5.6940600000e-01  1.0200830000e+00 -4.3355600000e-01 -1.4711670000e+00  7.9364600000e-01 -2.2559800000e-01 -3.7507000000e-02  3.5402300000e-01  5.6025700000e-01  5.9558200000e-01 -9.5862000000e-01  9.9664100000e-01 -1.3033700000e-01 -1.4045390000e+00  1.2638590000e+00  1.2138940000e+00 -7.6147300000e-01
-ENERGY -1.526566047844e+02
-FORCES  1.0379800000e-02  8.8689000000e-03 -1.7368500000e-02  3.7030000000e-04  2.5939000000e-03 -7.8150000000e-04 -2.9433000000e-03 -4.2936000000e-03  6.9848000000e-03 -1.8861000000e-03 -6.1958000000e-03  8.1235000000e-03 -2.2245000000e-03  3.5301000000e-03  3.9506000000e-03 -3.6962000000e-03 -4.5035000000e-03 -9.0890000000e-04
-
-JOB 1
-COORDS  3.9570000000e-01  7.9377400000e-01  1.0134920000e+00  4.3181000000e-02  1.7091000000e-01  3.7787900000e-01  1.3440930000e+00  6.7262200000e-01  9.6763300000e-01 -4.3579400000e-01 -7.1214800000e-01 -9.0377700000e-01 -6.1445500000e-01 -1.6404690000e+00 -1.0538790000e+00 -1.9477700000e-01 -3.7177300000e-01 -1.7653390000e+00
-ENERGY -1.526575744964e+02
-FORCES -4.9540000000e-03 -1.3568100000e-02 -1.4484100000e-02  2.0047000000e-03  4.9992000000e-03  3.7742000000e-03 -2.4360000000e-03 -7.9800000000e-05 -1.0521000000e-03  4.7897000000e-03  7.2489000000e-03  9.0119000000e-03  1.5614000000e-03  5.1193000000e-03 -1.3229000000e-03 -9.6580000000e-04 -3.7194000000e-03  4.0730000000e-03
-
-JOB 2
-COORDS -2.1783600000e-01 -1.1982770000e+00 -3.8199000000e-01 -7.9016600000e-01 -1.2533570000e+00 -1.1472590000e+00  6.3082100000e-01 -1.5124900000e+00 -6.9389100000e-01  2.6005300000e-01  1.2455600000e+00  4.6345000000e-01  9.4854000000e-02  3.4029100000e-01  1.9995800000e-01 -5.7201900000e-01  1.6945860000e+00  3.1424100000e-01
-ENERGY -1.526582606067e+02
-FORCES  2.1515000000e-03  8.7215000000e-03 -1.1027000000e-03  3.5158000000e-03  4.1950000000e-04  3.8996000000e-03 -5.1872000000e-03  3.1589000000e-03  1.5383000000e-03 -6.6046000000e-03 -1.8386500000e-02 -6.0020000000e-03  4.4608000000e-03  8.2066000000e-03  2.2223000000e-03  1.6636000000e-03 -2.1200000000e-03 -5.5560000000e-04
-
-JOB 3
-COORDS  1.1342500000e-01 -1.0778760000e+00  6.1538000000e-01  4.9478400000e-01 -1.8158500000e+00  1.3978400000e-01  3.3991800000e-01 -1.2397640000e+00  1.5311990000e+00 -1.4888200000e-01  1.1427550000e+00 -7.0779000000e-01 -2.9907900000e-01  3.2414700000e-01 -2.3497600000e-01 -4.6592000000e-02  1.8013990000e+00 -2.0799000000e-02
-ENERGY -1.526568438228e+02
-FORCES  1.5635000000e-03  1.0110300000e-02 -5.8190000000e-03 -1.7822000000e-03  2.9959000000e-03  3.9164000000e-03 -5.3000000000e-05 -2.8120000000e-04 -4.7685000000e-03  2.6977000000e-03 -1.4865900000e-02  1.2324900000e-02 -2.2190000000e-03  4.1531000000e-03 -4.6214000000e-03 -2.0690000000e-04 -2.1122000000e-03 -1.0324000000e-03
-
-JOB 4
-COORDS -7.7012000000e-01  4.2838200000e-01 -1.0052390000e+00 -7.9735000000e-02  4.8696800000e-01 -3.4480900000e-01 -4.3444100000e-01  9.2959300000e-01 -1.7484330000e+00  7.1953600000e-01 -3.9368000000e-01  9.8996100000e-01  1.1801660000e+00 -1.1604820000e+00  6.4927700000e-01  1.2272000000e-01 -7.4596600000e-01  1.6502160000e+00
-ENERGY -1.526588299759e+02
-FORCES  8.9389000000e-03 -3.3507000000e-03  1.1989500000e-02 -4.3401000000e-03  4.1631000000e-03 -8.1813000000e-03  1.5328000000e-03 -2.4484000000e-03  3.9088000000e-03 -8.0261000000e-03 -2.7200000000e-03 -7.0822000000e-03 -1.9056000000e-03  3.5857000000e-03  2.2431000000e-03  3.8001000000e-03  7.7030000000e-04 -2.8779000000e-03
-
-JOB 5
-COORDS  2.6336500000e-01  4.4707700000e-01 -1.1662890000e+00 -6.0103500000e-01  6.9524900000e-01 -1.4940910000e+00  8.5774600000e-01  1.0973600000e+00 -1.5405550000e+00 -2.8069500000e-01 -5.6567700000e-01  1.2123380000e+00  1.7501000000e-02 -1.1507900000e-01  4.2222800000e-01 -7.0614000000e-02  3.6735000000e-02  1.9259180000e+00
-ENERGY -1.526594351054e+02
-FORCES -2.1005000000e-03 -8.9300000000e-04  5.6239000000e-03  5.5278000000e-03 -3.3430000000e-04  2.1179000000e-03 -4.2631000000e-03 -2.5890000000e-03  1.3246000000e-03  5.5220000000e-03  7.4584000000e-03 -1.3517200000e-02 -4.7084000000e-03 -3.0015000000e-03  7.7673000000e-03  2.2200000000e-05 -6.4060000000e-04 -3.3165000000e-03
-
-JOB 6
-COORDS -1.0752160000e+00  8.5886000000e-02  7.1578200000e-01 -1.0832390000e+00 -5.5219600000e-01  1.4292370000e+00 -1.7842720000e+00 -1.9301300000e-01  1.3639800000e-01  1.1195910000e+00  1.6138000000e-02 -7.7623000000e-01  5.5068400000e-01  1.6980000000e-03 -6.5770000000e-03  1.6691360000e+00 -7.6203700000e-01 -6.8308700000e-01
-ENERGY -1.526578284236e+02
-FORCES  1.2833000000e-03 -2.6750000000e-03 -7.6812000000e-03  2.5370000000e-03  2.4480000000e-03 -5.2891000000e-03  2.4732000000e-03  7.0290000000e-04  4.8293000000e-03 -1.2391000000e-02  6.6600000000e-05  9.5665000000e-03  9.7082000000e-03 -2.3787000000e-03 -2.8572000000e-03 -3.6106000000e-03  1.8362000000e-03  1.4317000000e-03
-
-JOB 7
-COORDS  7.3732600000e-01 -9.4105200000e-01  6.5023600000e-01  5.9628400000e-01 -1.9311800000e-01  6.9777000000e-02  1.1131640000e+00 -1.6159660000e+00  8.5021000000e-02 -7.0472200000e-01  9.2887000000e-01 -5.3593900000e-01 -5.7959100000e-01  1.0290660000e+00 -1.4796200000e+00 -1.6540920000e+00  9.5194200000e-01 -4.1595000000e-01
-ENERGY -1.526558443249e+02
-FORCES -8.1972000000e-03  9.7039000000e-03 -7.2779000000e-03  7.5488000000e-03 -4.4824000000e-03 -5.3800000000e-05 -2.2065000000e-03  3.4741000000e-03  1.9230000000e-04 -1.9117000000e-03 -7.6250000000e-03  4.6884000000e-03  8.9130000000e-04 -2.6473000000e-03  5.2580000000e-03  3.8753000000e-03  1.5766000000e-03 -2.8069000000e-03
-
-JOB 8
-COORDS  2.2557800000e-01  1.1658780000e+00  4.9960700000e-01 -8.0982000000e-02  2.0725170000e+00  5.1562800000e-01  1.3604500000e-01  8.6624700000e-01  1.4042820000e+00 -1.7049200000e-01 -1.2534050000e+00 -5.2169000000e-01  4.9113000000e-02 -3.2646400000e-01 -4.2796100000e-01 -9.3582300000e-01 -1.2617840000e+00 -1.0965210000e+00
-ENERGY -1.526596239045e+02
-FORCES -3.1452000000e-03 -6.1201000000e-03 -5.9300000000e-05  7.7260000000e-04 -4.4997000000e-03  1.5264000000e-03  3.8660000000e-04  3.2680000000e-03 -4.6898000000e-03  1.5670000000e-04  1.4689200000e-02  2.5643000000e-03 -2.4130000000e-04 -8.3800000000e-03 -1.0674000000e-03  2.0706000000e-03  1.0425000000e-03  1.7258000000e-03
-
-JOB 9
-COORDS  8.3198000000e-02 -1.0115140000e+00 -8.1451500000e-01  4.0339400000e-01 -1.4683890000e+00 -1.5923140000e+00 -8.6204300000e-01 -9.4268400000e-01 -9.4873100000e-01 -5.0800000000e-04  1.0424870000e+00  9.0957700000e-01 -7.6644700000e-01  1.5805570000e+00  7.0945400000e-01 -5.0767000000e-02  3.1388900000e-01  2.9082600000e-01
-ENERGY -1.526552447550e+02
-FORCES  1.8592000000e-03  3.9968000000e-03  4.5420000000e-04 -3.7256000000e-03  1.1815000000e-03  3.3582000000e-03  6.2909000000e-03  3.8780000000e-03  3.0621000000e-03  2.2728000000e-03 -8.4735000000e-03 -9.1200000000e-03  1.7603000000e-03 -3.7104000000e-03 -9.2160000000e-04 -8.4574000000e-03  3.1276000000e-03  3.1671000000e-03
-
-JOB 10
-COORDS  1.8403300000e-01  6.8435000000e-01 -1.0784540000e+00  4.8165100000e-01  6.7848800000e-01 -1.9881900000e+00  5.2251000000e-01  1.5050430000e+00 -7.2050200000e-01 -1.9167600000e-01 -7.8485400000e-01  1.1433480000e+00 -9.4078900000e-01 -2.4134100000e-01  1.3875930000e+00  8.8119000000e-02 -4.4069000000e-01  2.9511700000e-01
-ENERGY -1.526594628201e+02
-FORCES  1.1354000000e-03 -1.6498000000e-03  3.2101000000e-03 -1.1077000000e-03  1.5597000000e-03  4.8335000000e-03 -2.0214000000e-03 -4.7106000000e-03 -2.1557000000e-03 -8.7850000000e-04  8.0008000000e-03 -1.3536700000e-02  2.4154000000e-03 -6.9750000000e-04  1.4210000000e-04  4.5670000000e-04 -2.5027000000e-03  7.5067000000e-03
-
-JOB 11
-COORDS  1.2745660000e+00 -3.9289000000e-02 -5.7133400000e-01  4.0980500000e-01 -1.2213000000e-01 -1.6939300000e-01  1.1357100000e+00  5.3712900000e-01 -1.3227940000e+00 -1.1925510000e+00 -3.2953000000e-02  5.4452700000e-01 -1.3780520000e+00 -2.1084000000e-01  1.4665780000e+00 -1.3760360000e+00  9.0050100000e-01  4.3856500000e-01
-ENERGY -1.526592977674e+02
-FORCES -1.4855100000e-02 -8.9470000000e-04  4.8939000000e-03  8.5730000000e-03  2.8254000000e-03 -4.8040000000e-03 -1.0073000000e-03 -7.9310000000e-04  3.0431000000e-03  4.4361000000e-03  2.0872000000e-03  1.7614000000e-03  3.2370000000e-04  2.0485000000e-03 -4.8114000000e-03  2.5295000000e-03 -5.2733000000e-03 -8.3000000000e-05
-
-JOB 12
-COORDS  7.6975000000e-01 -2.3440100000e-01  1.1225950000e+00  1.3835040000e+00  4.9275000000e-01  1.2264640000e+00  4.9961500000e-01 -1.9127700000e-01  2.0531700000e-01 -7.3059800000e-01  1.8153000000e-01 -1.1142050000e+00 -1.4129390000e+00 -4.5171000000e-01 -8.9138100000e-01 -1.0479470000e+00  1.0114920000e+00 -7.5827800000e-01
-ENERGY -1.526597251344e+02
-FORCES -4.6649000000e-03  2.7630000000e-03 -1.3374100000e-02 -3.1425000000e-03 -1.2840000000e-03 -1.4017000000e-03  4.1956000000e-03 -1.3044000000e-03  9.5160000000e-03 -3.3884000000e-03  6.6850000000e-04  7.5585000000e-03  4.3518000000e-03  3.4320000000e-03 -6.9910000000e-04  2.6483000000e-03 -4.2750000000e-03 -1.5996000000e-03
-
-JOB 13
-COORDS  3.8517700000e-01 -1.2649540000e+00  3.9546800000e-01  1.9421700000e-01 -3.2742300000e-01  4.2377100000e-01  1.2273640000e+00 -1.3519170000e+00  8.4200000000e-01 -3.9716100000e-01  1.1558490000e+00 -3.9451100000e-01 -7.3202100000e-01  1.9339350000e+00  5.1226000000e-02 -4.8515700000e-01  1.3565290000e+00 -1.3262920000e+00
-ENERGY -1.526590954492e+02
-FORCES -2.6180000000e-03  1.2318800000e-02 -3.4213000000e-03  2.9231000000e-03 -6.6785000000e-03  5.1154000000e-03 -2.7608000000e-03  2.1748000000e-03 -1.4831000000e-03  9.9870000000e-04 -5.7029000000e-03 -2.6338000000e-03  2.0098000000e-03 -3.9346000000e-03 -2.4129000000e-03 -5.5270000000e-04  1.8224000000e-03  4.8357000000e-03
-
-JOB 14
-COORDS  7.8900000000e-02  2.2238400000e-01 -1.3684520000e+00 -1.4187600000e-01  2.3661200000e-01 -4.3717000000e-01  2.3014300000e-01  1.1404280000e+00 -1.5932900000e+00 -1.0786900000e-01 -2.2705900000e-01  1.2769470000e+00  8.1849500000e-01 -2.5619600000e-01  1.5161770000e+00 -5.2092500000e-01 -8.8511500000e-01  1.8360350000e+00
-ENERGY -1.526601270638e+02
-FORCES -3.0100000000e-03 -1.1621000000e-03  1.2749500000e-02  3.0698000000e-03  3.6906000000e-03 -8.5369000000e-03 -3.4300000000e-05 -2.7815000000e-03  2.7316000000e-03  1.5044000000e-03 -2.9392000000e-03 -4.9784000000e-03 -5.1573000000e-03  2.8960000000e-04 -6.0530000000e-04  3.6275000000e-03  2.9026000000e-03 -1.3605000000e-03
-
-JOB 15
-COORDS  5.1878700000e-01 -5.8264900000e-01  1.0397080000e+00  4.2021500000e-01 -1.5345470000e+00  1.0598770000e+00  1.4184850000e+00 -4.2838900000e-01  1.3277690000e+00 -5.5651000000e-01  6.9435900000e-01 -1.0663250000e+00 -1.6373900000e-01  9.8010000000e-02 -4.2888400000e-01 -1.1686920000e+00  1.4868300000e-01 -1.5599880000e+00
-ENERGY -1.526591527935e+02
-FORCES  1.2842000000e-03  2.2037000000e-03 -3.0366000000e-03  4.7720000000e-04  5.4350000000e-03 -1.5861000000e-03 -4.7736000000e-03 -2.2657000000e-03 -8.7570000000e-04  5.2304000000e-03 -7.5150000000e-03  1.1635400000e-02 -4.6745000000e-03  2.1997000000e-03 -9.0699000000e-03  2.4563000000e-03 -5.7800000000e-05  2.9329000000e-03
-
-JOB 16
-COORDS -2.4550700000e-01  6.7163900000e-01 -1.1120200000e+00 -4.4755500000e-01  1.5932040000e+00 -1.2736590000e+00  6.8632600000e-01  5.9097800000e-01 -1.3155220000e+00  2.1262400000e-01 -7.0265800000e-01  1.2010070000e+00  4.3847000000e-02 -1.5608200000e-01  4.3354300000e-01  2.1673200000e-01 -1.5977790000e+00  8.6193000000e-01
-ENERGY -1.526592457748e+02
-FORCES  1.4336000000e-03  2.0143000000e-03  2.3466000000e-03  2.1924000000e-03 -4.7609000000e-03 -3.0400000000e-05 -5.8455000000e-03 -7.3480000000e-04  4.4252000000e-03 -5.8129000000e-03  5.4741000000e-03 -1.2152400000e-02  7.2741000000e-03 -5.0631000000e-03  5.3958000000e-03  7.5830000000e-04  3.0703000000e-03  1.5200000000e-05
-
-JOB 17
-COORDS -2.5354100000e-01 -6.5849000000e-01  1.1150870000e+00 -5.5640400000e-01 -4.3456000000e-02  1.7830980000e+00 -9.8272800000e-01 -1.2681740000e+00  1.0019390000e+00  2.9578100000e-01  7.1884700000e-01 -1.1697260000e+00  6.6006600000e-01 -2.5129000000e-02 -1.6493380000e+00  2.0880500000e-01  4.0481500000e-01 -2.6969800000e-01
-ENERGY -1.526593409105e+02
-FORCES -4.1057000000e-03  1.0221000000e-03 -4.4783000000e-03  1.5488000000e-03 -2.3781000000e-03 -5.3571000000e-03  3.6707000000e-03  2.8579000000e-03  1.8213000000e-03 -1.2694000000e-03 -1.1039200000e-02  1.2235900000e-02 -1.5009000000e-03  1.7658000000e-03  6.8150000000e-04  1.6564000000e-03  7.7715000000e-03 -4.9032000000e-03
-
-JOB 18
-COORDS  7.3180300000e-01  8.7371900000e-01  8.3284700000e-01  6.7150900000e-01  1.5324950000e+00  1.4103000000e-01  2.7470300000e-01  1.1102400000e-01  4.7846400000e-01 -7.2843500000e-01 -8.2909600000e-01 -7.3005600000e-01 -2.3069800000e-01 -1.6295350000e+00 -5.6336300000e-01 -7.8543600000e-01 -7.7623300000e-01 -1.6840940000e+00
-ENERGY -1.526569321414e+02
-FORCES -1.0111100000e-02 -5.9611000000e-03 -1.2088500000e-02  1.2364000000e-03 -3.6830000000e-04  2.0061000000e-03  5.6760000000e-03 -2.4827000000e-03  6.3074000000e-03  3.9978000000e-03  2.7123000000e-03 -1.8367000000e-03 -1.0706000000e-03  7.1536000000e-03  9.6020000000e-04  2.7160000000e-04 -1.0537000000e-03  4.6515000000e-03
-
-JOB 19
-COORDS -1.2630810000e+00 -1.3364400000e-01 -6.3028400000e-01 -1.3534270000e+00 -1.0009810000e+00 -2.3557400000e-01 -3.2883200000e-01  6.3960000000e-02 -5.6421300000e-01  1.1654820000e+00  1.2889700000e-01  5.8224500000e-01  1.0520980000e+00  9.8926500000e-01  9.8615400000e-01  2.1138360000e+00  4.8120000000e-03  5.4404400000e-01
-ENERGY -1.526596364134e+02
-FORCES  1.2746700000e-02 -3.1759000000e-03  6.6319000000e-03 -1.2367000000e-03  1.8626000000e-03 -1.5793000000e-03 -6.4779000000e-03  2.8572000000e-03 -3.0564000000e-03 -1.4709000000e-03  1.9208000000e-03  4.7100000000e-04  1.3794000000e-03 -4.5256000000e-03 -3.4173000000e-03 -4.9407000000e-03  1.0607000000e-03  9.5010000000e-04
-
-JOB 20
-COORDS -4.2561900000e-01  6.2107600000e-01 -1.1959340000e+00 -7.4906300000e-01  1.4654470000e+00 -8.8184300000e-01 -1.5800500000e-01  1.5655400000e-01 -4.0294400000e-01  4.2957400000e-01 -6.2095200000e-01  1.0564210000e+00 -3.0556900000e-01 -7.3078600000e-01  1.6595240000e+00  1.1952230000e+00 -9.0152800000e-01  1.5577100000e+00
-ENERGY -1.526593980850e+02
-FORCES  5.7074000000e-03 -4.1261000000e-03  1.1766000000e-02  6.1210000000e-04 -2.8464000000e-03  1.0250000000e-04 -6.2564000000e-03  3.2225000000e-03 -5.0239000000e-03  8.7190000000e-04  1.5853000000e-03 -3.3428000000e-03  4.1303000000e-03  1.4514000000e-03 -3.3018000000e-03 -5.0653000000e-03  7.1330000000e-04 -2.0000000000e-04
-
-JOB 21
-COORDS -3.3394000000e-01  5.5780100000e-01 -1.2343290000e+00 -1.2356800000e-01  1.4770730000e+00 -1.3983850000e+00  1.2744700000e-01  3.4719900000e-01 -4.2254100000e-01  2.6774500000e-01 -5.3471000000e-01  1.1947270000e+00  1.1441190000e+00 -7.3228400000e-01  1.5251300000e+00 -8.8956000000e-02 -1.3848280000e+00  9.3724600000e-01
-ENERGY -1.526606246737e+02
-FORCES  3.4081000000e-03 -2.0467000000e-03  1.2025900000e-02  4.2310000000e-04 -2.9605000000e-03  1.9778000000e-03 -1.3964000000e-03  2.7576000000e-03 -1.0439400000e-02 -1.3743000000e-03 -3.8624000000e-03 -2.0971000000e-03 -4.4063000000e-03  1.2537000000e-03 -2.7680000000e-03  3.3458000000e-03  4.8583000000e-03  1.3008000000e-03
-
-JOB 22
-COORDS  4.7448200000e-01  8.6374500000e-01 -8.8835700000e-01 -2.0153700000e-01  1.5408320000e+00 -9.1634300000e-01  1.2913760000e+00  1.3454490000e+00 -7.5844700000e-01 -5.2382400000e-01 -9.8820300000e-01  8.6390500000e-01 -1.5019500000e-01 -3.2325700000e-01  2.8556300000e-01 -2.2323700000e-01 -7.4176500000e-01  1.7386320000e+00
-ENERGY -1.526602293830e+02
-FORCES -9.2100000000e-05  7.8440000000e-04  2.3335000000e-03  4.2051000000e-03 -4.0273000000e-03  1.6471000000e-03 -4.9467000000e-03 -1.5448000000e-03 -3.2160000000e-04  7.2589000000e-03  9.8343000000e-03 -7.6219000000e-03 -6.1229000000e-03 -5.3301000000e-03  6.9758000000e-03 -3.0240000000e-04  2.8360000000e-04 -3.0128000000e-03
-
-JOB 23
-COORDS -2.6241000000e-02  1.2596670000e+00 -5.4512200000e-01 -5.8494800000e-01  1.1386900000e+00 -1.3128740000e+00 -6.3843300000e-01  1.3571490000e+00  1.8422700000e-01  5.8136000000e-02 -1.3189870000e+00  5.4888000000e-01 -2.6711800000e-01 -4.1958400000e-01  5.8783800000e-01  1.0079070000e+00 -1.2276230000e+00  4.7259800000e-01
-ENERGY -1.526519262225e+02
-FORCES -4.4587000000e-03 -4.0698000000e-03 -2.0404000000e-03  2.6150000000e-03  1.2188000000e-03  4.2600000000e-03  4.8286000000e-03 -8.2719000000e-03 -1.5231000000e-03  5.5201000000e-03  1.2349100000e-02 -6.6969000000e-03 -5.9879000000e-03  1.5068000000e-03  4.6934000000e-03 -2.5171000000e-03 -2.7329000000e-03  1.3070000000e-03
-
-JOB 24
-COORDS -1.8415000000e-01 -1.3805930000e+00  3.5972900000e-01 -2.9016500000e-01 -9.6845900000e-01  1.2171300000e+00 -1.3555100000e-01 -6.4794400000e-01 -2.5435200000e-01  1.4652000000e-01  1.2850880000e+00 -4.0953700000e-01  1.0615760000e+00  1.4399490000e+00 -6.4389100000e-01  5.8447000000e-02  1.6528480000e+00  4.6979700000e-01
-ENERGY -1.526579779178e+02
-FORCES  5.1250000000e-04  1.4653600000e-02 -2.2471000000e-03  4.0880000000e-04 -1.1265000000e-03 -1.0502000000e-03  1.5270000000e-04 -8.3832000000e-03  6.6210000000e-04  3.0683000000e-03 -7.9670000000e-04  4.7693000000e-03 -4.8300000000e-03 -1.4656000000e-03  1.6114000000e-03  6.8770000000e-04 -2.8815000000e-03 -3.7455000000e-03
-
-JOB 25
-COORDS -8.3302400000e-01  8.4822800000e-01 -7.6324900000e-01 -7.6999900000e-01  1.7331390000e+00 -4.0381600000e-01 -2.6055600000e-01  3.2137200000e-01 -2.0563400000e-01  7.3560400000e-01 -8.7553800000e-01  7.0793800000e-01  1.2410540000e+00 -2.7632800000e-01  1.2572100000e+00  1.3949880000e+00 -1.3579580000e+00  2.0922300000e-01
-ENERGY -1.526594741466e+02
-FORCES  7.2348000000e-03 -8.0922000000e-03  7.9938000000e-03  1.3325000000e-03 -3.5694000000e-03  2.7350000000e-04 -4.3610000000e-03  9.6910000000e-03 -4.2482000000e-03  2.6755000000e-03  2.8990000000e-04 -2.6104000000e-03 -3.9954000000e-03 -1.3208000000e-03 -4.8912000000e-03 -2.8864000000e-03  3.0016000000e-03  3.4826000000e-03
-
-JOB 26
-COORDS -9.7975100000e-01 -9.3874400000e-01  3.9587000000e-01 -1.7380070000e+00 -4.4336400000e-01  7.0551200000e-01 -3.1534000000e-01 -2.7342200000e-01  2.1660200000e-01  9.2115900000e-01  8.5643300000e-01 -4.2961900000e-01  1.1762460000e+00  1.6735880000e+00 -1.3440000000e-03  1.7165360000e+00  3.2391800000e-01 -4.2368700000e-01
-ENERGY -1.526603791057e+02
-FORCES  7.3247000000e-03  1.1711100000e-02 -4.1018000000e-03  2.6228000000e-03 -5.3500000000e-04 -7.1400000000e-04 -4.7956000000e-03 -8.4574000000e-03  3.6998000000e-03  9.1920000000e-04 -1.2508000000e-03  2.1163000000e-03 -9.0480000000e-04 -4.4804000000e-03 -2.1857000000e-03 -5.1663000000e-03  3.0125000000e-03  1.1854000000e-03
-
-JOB 27
-COORDS -5.3742500000e-01  3.6632300000e-01  1.1390710000e+00 -1.2805540000e+00  7.7696000000e-02  1.6688690000e+00  7.8277000000e-02  7.3724800000e-01  1.7711770000e+00  5.7335300000e-01 -3.2748500000e-01 -1.2582260000e+00  2.0984200000e-01 -1.1350600000e-01 -3.9897900000e-01  4.7921100000e-01 -1.2774240000e+00 -1.3288340000e+00
-ENERGY -1.526604003736e+02
-FORCES  6.0110000000e-04 -1.6779000000e-03 -1.9896000000e-03  4.3623000000e-03  1.9572000000e-03 -8.8790000000e-04 -3.7909000000e-03 -2.4544000000e-03 -2.8428000000e-03 -6.7010000000e-03  8.0600000000e-04  1.1961000000e-02  5.7945000000e-03 -1.1860000000e-03 -6.9497000000e-03 -2.6610000000e-04  2.5551000000e-03  7.0900000000e-04
-
-JOB 28
-COORDS  7.5099300000e-01  2.8920100000e-01  1.1123800000e+00  3.6204800000e-01  1.0270780000e+00  1.5819430000e+00  1.4168890000e+00  6.8617500000e-01  5.5092900000e-01 -8.0628500000e-01 -4.0547000000e-01 -1.1331680000e+00 -3.0365600000e-01 -4.1975200000e-01 -3.1867900000e-01 -6.1992300000e-01  4.5218600000e-01 -1.5151710000e+00
-ENERGY -1.526588914422e+02
-FORCES -7.0550000000e-04  4.5814000000e-03 -8.5600000000e-04  2.6620000000e-03 -3.1524000000e-03 -3.1943000000e-03 -5.5921000000e-03 -2.0607000000e-03  1.2737000000e-03  6.7421000000e-03  4.9437000000e-03  1.0494800000e-02 -3.2148000000e-03 -2.2438000000e-03 -8.7384000000e-03  1.0830000000e-04 -2.0681000000e-03  1.0203000000e-03
-
-JOB 29
-COORDS -4.7302300000e-01 -1.0531910000e+00 -7.2368700000e-01 -4.2466700000e-01 -8.8429800000e-01 -1.6646270000e+00 -1.4047820000e+00 -1.1893480000e+00 -5.5187600000e-01  5.4166700000e-01  1.0598300000e+00  8.2824700000e-01  6.6774600000e-01  1.6412200000e+00  7.8366000000e-02  1.0698000000e-02  3.4007700000e-01  4.8728000000e-01
-ENERGY -1.526587662257e+02
-FORCES -3.1180000000e-04  1.3078000000e-03 -3.5495000000e-03 -1.0223000000e-03 -6.1710000000e-04  4.7985000000e-03  5.5815000000e-03  2.7664000000e-03 -1.5700000000e-05 -3.7346000000e-03 -8.8549000000e-03 -9.9964000000e-03 -1.9380000000e-04 -1.2334000000e-03  1.8874000000e-03 -3.1910000000e-04  6.6312000000e-03  6.8757000000e-03
-
-JOB 30
-COORDS  1.7393300000e-01  1.0814830000e+00  8.5456500000e-01  2.5356200000e-01  1.6855990000e+00  1.1636900000e-01 -7.4353200000e-01  1.1461660000e+00  1.1197190000e+00 -1.5687400000e-01 -1.1497800000e+00 -8.8364800000e-01  6.1997300000e-01 -1.4615010000e+00 -4.1935200000e-01 -4.3256900000e-01 -3.7361000000e-01 -3.9601600000e-01
-ENERGY -1.526569742759e+02
-FORCES -7.2090000000e-04  3.1703000000e-03 -1.4663000000e-03 -1.7797000000e-03 -5.1802000000e-03  3.2773000000e-03  4.7266000000e-03 -3.3458000000e-03 -4.6323000000e-03  5.4622000000e-03  8.0481000000e-03  1.0788600000e-02 -1.9624000000e-03 -1.1994000000e-03 -2.8887000000e-03 -5.7258000000e-03 -1.4929000000e-03 -5.0786000000e-03
-
-JOB 31
-COORDS  1.2653500000e-01 -8.5352000000e-01 -1.1393550000e+00 -1.7889700000e-01 -2.1015200000e-01 -4.9980700000e-01  2.4528500000e-01 -3.5223700000e-01 -1.9461050000e+00 -1.2924300000e-01  7.4157100000e-01  1.1133420000e+00  6.3300000000e-02  7.0173800000e-01  2.0501300000e+00 -7.3249000000e-02  1.6721300000e+00  8.9618500000e-01
-ENERGY -1.526583738729e+02
-FORCES -7.7170000000e-04  6.6058000000e-03  8.2151000000e-03 -4.3920000000e-04 -1.6651000000e-03 -9.1605000000e-03 -4.7330000000e-04 -1.2550000000e-04  3.6761000000e-03  2.8235000000e-03 -2.1531000000e-03  1.2392000000e-03 -8.3370000000e-04  2.5044000000e-03 -3.8714000000e-03 -3.0570000000e-04 -5.1664000000e-03 -9.8500000000e-05
-
-JOB 32
-COORDS -7.3222600000e-01 -8.3550800000e-01  9.0507100000e-01 -3.5503400000e-01 -3.0848400000e-01  2.0065300000e-01 -1.6529630000e+00 -9.3558100000e-01  6.6328300000e-01  6.9834400000e-01  8.0919200000e-01 -8.5184100000e-01  1.3113260000e+00  1.9713500000e-01 -1.2591160000e+00  1.2563530000e+00  1.4557420000e+00 -4.1960200000e-01
-ENERGY -1.526616792841e+02
-FORCES  3.4977000000e-03  7.9382000000e-03 -8.0311000000e-03 -4.9244000000e-03 -8.6193000000e-03  5.3400000000e-03  3.2050000000e-03  9.4710000000e-04 -2.6130000000e-04  3.7866000000e-03  3.3580000000e-04  3.0732000000e-03 -3.7756000000e-03  2.7864000000e-03  3.1059000000e-03 -1.7893000000e-03 -3.3882000000e-03 -3.2268000000e-03
-
-JOB 33
-COORDS  7.6450500000e-01 -3.1135400000e-01 -1.0879280000e+00  9.6812000000e-01 -1.2421080000e+00 -1.1799530000e+00  1.6125810000e+00  1.0606300000e-01 -9.3705300000e-01 -8.8244400000e-01  3.4366500000e-01  1.0743120000e+00 -2.2888100000e-01  7.7087000000e-02  4.2776500000e-01 -3.7758000000e-01  5.1509100000e-01  1.8692690000e+00
-ENERGY -1.526601283841e+02
-FORCES  2.2759000000e-03 -1.6731000000e-03 -6.2500000000e-04 -4.7380000000e-04  5.4034000000e-03  1.2859000000e-03 -5.1656000000e-03 -2.7661000000e-03  1.2125000000e-03  7.9336000000e-03 -2.8059000000e-03 -8.6519000000e-03 -4.4658000000e-03  2.6141000000e-03  1.0382700000e-02 -1.0430000000e-04 -7.7240000000e-04 -3.6041000000e-03
-
-JOB 34
-COORDS  7.4438000000e-02  1.0139390000e+00 -8.9005300000e-01  7.8379400000e-01  1.0852330000e+00 -1.5287720000e+00  5.4068000000e-02  1.8677020000e+00 -4.5772800000e-01 -6.6823000000e-02 -1.1162510000e+00  8.9487600000e-01 -7.8046000000e-01 -1.0430230000e+00  1.5285900000e+00 -1.3160600000e-01 -3.2011000000e-01  3.6743500000e-01
-ENERGY -1.526606586187e+02
-FORCES  4.2715000000e-03 -7.0090000000e-04 -2.1200000000e-04 -3.7021000000e-03  1.6349000000e-03  2.9622000000e-03  1.0050000000e-04 -5.0273000000e-03 -1.5010000000e-03 -1.0246000000e-03  8.7977000000e-03 -7.5108000000e-03  2.1552000000e-03  1.5634000000e-03 -2.5033000000e-03 -1.8004000000e-03 -6.2679000000e-03  8.7650000000e-03
-
-JOB 35
-COORDS -9.1757000000e-02 -5.0036400000e-01 -1.2594610000e+00 -8.8845300000e-01 -1.0206710000e+00 -1.1555930000e+00 -2.1830800000e-01 -2.9529000000e-02 -2.0831910000e+00  1.5956200000e-01  5.6969600000e-01  1.3109360000e+00  5.5527800000e-01 -5.6730000000e-02  7.0494100000e-01 -5.2991800000e-01  7.3772000000e-02  1.7524200000e+00
-ENERGY -1.526555000123e+02
-FORCES -4.0407000000e-03  4.6922000000e-03  8.8280000000e-04  3.7802000000e-03  1.9056000000e-03  4.4000000000e-04 -3.1480000000e-04 -2.8170000000e-03  3.0355000000e-03 -1.7490000000e-03 -5.8704000000e-03 -9.6954000000e-03  6.2110000000e-04  7.5780000000e-04  7.3888000000e-03  1.7032000000e-03  1.3317000000e-03 -2.0517000000e-03
-
-JOB 36
-COORDS  6.5584000000e-01  7.5029600000e-01  1.0124700000e+00  1.0557500000e-01  3.1705000000e-02  7.0091300000e-01  3.8313300000e-01  8.8531900000e-01  1.9200120000e+00 -5.7127100000e-01 -7.6599800000e-01 -1.0062530000e+00 -1.4974400000e+00 -5.4214300000e-01 -9.1497600000e-01 -2.6691800000e-01 -2.3335600000e-01 -1.7410280000e+00
-ENERGY -1.526595676834e+02
-FORCES -3.8592000000e-03 -6.6763000000e-03 -4.7536000000e-03  1.6825000000e-03  6.0885000000e-03  8.4854000000e-03 -8.1910000000e-04 -1.6372000000e-03 -4.1040000000e-03  6.3060000000e-04  6.0851000000e-03 -3.9254000000e-03  5.1727000000e-03 -4.9640000000e-04  1.6917000000e-03 -2.8075000000e-03 -3.3637000000e-03  2.6060000000e-03
-
-JOB 37
-COORDS -6.0832500000e-01 -1.1880800000e+00  2.1952900000e-01 -1.3911420000e+00 -1.7316900000e+00  1.3053900000e-01  1.1887400000e-01 -1.7824520000e+00  3.4773000000e-02  6.3007900000e-01  1.2733740000e+00 -2.6739200000e-01  8.6632200000e-01  1.7469110000e+00  5.3022000000e-01  8.9149000000e-02  5.4484100000e-01  3.7346000000e-02
-ENERGY -1.526614162190e+02
-FORCES  2.8660000000e-04 -9.7420000000e-04 -2.5567000000e-03  4.5421000000e-03  7.4820000000e-04  3.7700000000e-04 -4.4371000000e-03  2.4104000000e-03  1.2841000000e-03 -5.8299000000e-03 -7.1365000000e-03  3.8322000000e-03 -1.0749000000e-03 -2.3590000000e-03 -2.0625000000e-03  6.5132000000e-03  7.3111000000e-03 -8.7390000000e-04
-
-JOB 38
-COORDS  4.4372700000e-01  1.1895630000e+00  4.8796500000e-01  1.3854150000e+00  1.1040220000e+00  6.3675200000e-01  1.3411300000e-01  1.7303620000e+00  1.2145380000e+00 -5.3643200000e-01 -1.2024680000e+00 -5.7542800000e-01 -1.0986600000e-01 -2.0502830000e+00 -4.5100100000e-01 -1.1999000000e-02 -5.9166300000e-01 -5.7626000000e-02
-ENERGY -1.526587872132e+02
-FORCES -8.6350000000e-04  2.3996000000e-03  2.4344000000e-03 -5.7672000000e-03 -2.1994000000e-03 -5.3260000000e-04  2.8424000000e-03 -1.9833000000e-03 -3.5419000000e-03  3.4251000000e-03  7.6282000000e-03  4.5680000000e-03 -8.7900000000e-05  4.2065000000e-03  5.2400000000e-04  4.5110000000e-04 -1.0051600000e-02 -3.4519000000e-03
-
-JOB 39
-COORDS -1.4200980000e+00  4.4480000000e-03 -2.2176400000e-01 -5.6393500000e-01  1.6326400000e-01  1.7572100000e-01 -2.0454730000e+00  1.5553300000e-01  4.8697500000e-01  1.3806840000e+00  1.4568000000e-02  2.0320100000e-01  1.7030140000e+00  3.1425300000e-01 -6.4681300000e-01  1.5257660000e+00 -9.3153700000e-01  1.9490300000e-01
-ENERGY -1.526618084771e+02
-FORCES  8.9176000000e-03  1.6075000000e-03  3.8539000000e-03 -1.1183400000e-02 -7.9190000000e-04 -1.5401000000e-03  3.4856000000e-03 -5.9300000000e-04 -1.4813000000e-03  1.0542000000e-03 -3.2475000000e-03 -5.2587000000e-03 -1.3898000000e-03 -1.9682000000e-03  4.3875000000e-03 -8.8430000000e-04  4.9930000000e-03  3.8700000000e-05
-
-JOB 40
-COORDS  4.0907800000e-01 -1.2806970000e+00  1.9525300000e-01  1.3432130000e+00 -1.1714970000e+00  3.7329400000e-01  2.7171200000e-01 -2.2279200000e+00  2.0670700000e-01 -4.5045400000e-01  1.3544420000e+00 -2.6254800000e-01 -6.6308200000e-01  1.7931270000e+00  5.6120900000e-01 -3.0113500000e-01  4.4148700000e-01 -1.6684000000e-02
-ENERGY -1.526610844515e+02
-FORCES  9.1510000000e-04 -8.7330000000e-04 -1.0020000000e-03 -5.0526000000e-03 -1.2064000000e-03 -2.7540000000e-04  2.6378000000e-03  3.8488000000e-03  3.9720000000e-04  6.5450000000e-04 -9.2867000000e-03  3.4132000000e-03  1.1870000000e-03 -2.0626000000e-03 -2.1686000000e-03 -3.4180000000e-04  9.5802000000e-03 -3.6430000000e-04
-
-JOB 41
-COORDS -3.5221700000e-01 -5.0493900000e-01  1.2144030000e+00  2.5279900000e-01 -2.6589500000e-01  1.9165740000e+00 -1.1726100000e+00 -7.0867300000e-01  1.6634910000e+00  3.4623800000e-01  5.0475700000e-01 -1.3408040000e+00  1.1484460000e+00  8.7859300000e-01 -9.7619300000e-01 -9.8356000000e-02  1.1177200000e-01 -5.8971800000e-01
-ENERGY -1.526599728500e+02
-FORCES  5.8540000000e-04  1.4685000000e-03  1.6691000000e-03 -3.3413000000e-03 -1.1737000000e-03 -2.8563000000e-03  4.4391000000e-03  1.1283000000e-03 -1.4397000000e-03 -9.3970000000e-04 -3.3741000000e-03  1.1904200000e-02 -1.6637000000e-03 -7.1310000000e-04 -1.1070000000e-03  9.2020000000e-04  2.6641000000e-03 -8.1702000000e-03
-
-JOB 42
-COORDS -1.6995900000e-01 -1.4493450000e+00 -2.9316500000e-01 -4.6330000000e-01 -1.4874850000e+00  6.1718000000e-01  3.2711000000e-02 -5.2568200000e-01 -4.4150000000e-01  1.6515600000e-01  1.3762770000e+00  1.8464300000e-01  9.6814000000e-01  1.3958940000e+00  7.0528000000e-01 -5.0230400000e-01  1.7520370000e+00  7.5869300000e-01
-ENERGY -1.526596784157e+02
-FORCES -4.4370000000e-04  1.1768400000e-02  3.9685000000e-03  7.1850000000e-04 -8.8470000000e-04 -1.9479000000e-03  1.2503000000e-03 -8.5200000000e-03 -2.0704000000e-03 -7.2020000000e-04  8.2910000000e-04  4.2455000000e-03 -4.7415000000e-03 -1.1339000000e-03 -2.3379000000e-03  3.9366000000e-03 -2.0589000000e-03 -1.8580000000e-03
-
-JOB 43
-COORDS -4.6104400000e-01  1.2089570000e+00  6.4270500000e-01 -4.9239800000e-01  1.4018060000e+00  1.5797520000e+00 -2.9373800000e-01  2.6760600000e-01  5.9688900000e-01  4.9686500000e-01 -1.1127070000e+00 -6.8313800000e-01 -8.6387000000e-02 -1.2340750000e+00 -1.4323500000e+00  3.5148400000e-01 -1.8860170000e+00 -1.3807900000e-01
-ENERGY -1.526578139009e+02
-FORCES  4.0240000000e-03 -7.1882000000e-03 -2.3072000000e-03  7.3710000000e-04 -2.5637000000e-03 -3.4230000000e-03 -5.1503000000e-03  5.4890000000e-03  6.7728000000e-03 -1.8378000000e-03 -1.9625000000e-03 -4.6775000000e-03  2.9376000000e-03 -2.3200000000e-04  4.3164000000e-03 -7.1060000000e-04  6.4573000000e-03 -6.8140000000e-04
-
-JOB 44
-COORDS  1.0702120000e+00  1.2739500000e-01  1.0201500000e+00  1.5719320000e+00  8.5955700000e-01  6.6175500000e-01  4.2193200000e-01 -7.2647000000e-02  3.4491100000e-01 -9.9620000000e-01 -1.5499000000e-01 -9.7625300000e-01 -1.6643110000e+00 -7.6960700000e-01 -1.2797390000e+00 -1.4217950000e+00  3.3346700000e-01 -2.7161800000e-01
-ENERGY -1.526596976832e+02
-FORCES -2.5414000000e-03 -1.0336000000e-03 -9.2687000000e-03 -2.1642000000e-03 -2.0279000000e-03  1.3593000000e-03  1.1307000000e-03  5.0171000000e-03  8.5173000000e-03 -4.5266000000e-03 -1.9294000000e-03  4.0650000000e-04  2.1046000000e-03  3.9897000000e-03  1.5975000000e-03  5.9969000000e-03 -4.0159000000e-03 -2.6120000000e-03
-
-JOB 45
-COORDS -9.9684200000e-01 -9.7051800000e-01 -1.0930200000e-01 -1.6996550000e+00 -1.2845140000e+00  4.5963700000e-01 -1.4487000000e+00 -6.0958800000e-01 -8.7205000000e-01  1.1348550000e+00  9.5562600000e-01  1.1217200000e-01  7.2034000000e-01  1.7526070000e+00  4.4267200000e-01  4.0658100000e-01  3.5625900000e-01 -5.0951000000e-02
-ENERGY -1.526596799339e+02
-FORCES -3.6702000000e-03 -1.0898000000e-03  1.8964000000e-03  2.2165000000e-03  1.3736000000e-03 -4.0058000000e-03  3.7006000000e-03  1.3420000000e-04  5.1142000000e-03 -8.5546000000e-03 -5.4568000000e-03  1.9308000000e-03  7.7260000000e-04 -2.5633000000e-03 -1.2705000000e-03  5.5351000000e-03  7.6021000000e-03 -3.6651000000e-03
-
-JOB 46
-COORDS -1.4608100000e-01 -1.0181280000e+00  1.0664990000e+00  4.2319500000e-01 -8.1051300000e-01  1.8074800000e+00  1.0915000000e-02 -3.1314700000e-01  4.3833900000e-01  6.8727000000e-02  9.2960200000e-01 -1.0295260000e+00  3.4361300000e-01  6.8833200000e-01 -1.9140920000e+00  4.3116900000e-01  1.8054230000e+00 -8.9608600000e-01
-ENERGY -1.526612237059e+02
-FORCES  2.1062000000e-03  7.6335000000e-03 -5.9742000000e-03 -1.5241000000e-03  3.4500000000e-04 -2.7655000000e-03 -1.0860000000e-04 -6.6550000000e-03  8.4270000000e-03  1.6456000000e-03  6.6930000000e-04 -2.9408000000e-03 -9.7260000000e-04  2.6176000000e-03  4.0689000000e-03 -1.1465000000e-03 -4.6105000000e-03 -8.1540000000e-04
-
-JOB 47
-COORDS -2.2569200000e-01  1.4979970000e+00 -1.8948000000e-02  6.1109600000e-01  1.3207500000e+00  4.1070300000e-01 -6.1889300000e-01  6.3430700000e-01 -1.4410900000e-01  2.0904000000e-01 -1.3840720000e+00  4.3229000000e-02  7.0351900000e-01 -1.5858030000e+00 -7.5114300000e-01 -4.1729200000e-01 -2.1032560000e+00  1.2516800000e-01
-ENERGY -1.526594323728e+02
-FORCES  3.1931000000e-03 -1.1468200000e-02  2.7239000000e-03 -1.2333000000e-03  3.1977000000e-03 -1.6171000000e-03 -2.8936000000e-03  6.5039000000e-03 -1.6230000000e-03  1.1225000000e-03 -3.4921000000e-03 -2.4574000000e-03 -2.7196000000e-03  1.0372000000e-03  4.1138000000e-03  2.5309000000e-03  4.2214000000e-03 -1.1402000000e-03
-
-JOB 48
-COORDS  3.1076100000e-01 -1.3236630000e+00 -3.1322100000e-01  1.1940820000e+00 -1.6266340000e+00 -5.2342400000e-01 -2.5776500000e-01 -1.8071660000e+00 -9.1258300000e-01 -2.9795500000e-01  1.4271030000e+00  3.9943800000e-01  1.3751200000e-01  6.2762400000e-01  1.0374700000e-01 -1.2019060000e+00  1.3331960000e+00  9.8963000000e-02
-ENERGY -1.526600431250e+02
-FORCES -2.6820000000e-04 -2.7798000000e-03 -2.6065000000e-03 -4.6570000000e-03  1.9608000000e-03  6.7660000000e-04  3.0943000000e-03  2.0187000000e-03  2.7818000000e-03 -7.1520000000e-04 -1.1052000000e-02 -3.3629000000e-03  4.7720000000e-04  8.9341000000e-03  1.7928000000e-03  2.0689000000e-03  9.1820000000e-04  7.1820000000e-04
-
-JOB 49
-COORDS -6.1245600000e-01  1.2060570000e+00 -3.9459000000e-01 -8.9666300000e-01  1.8762760000e+00  2.2691200000e-01  4.5277000000e-02  1.6435230000e+00 -9.3518500000e-01  5.5768100000e-01 -1.3330050000e+00  4.1826600000e-01  1.3208980000e+00 -1.2836610000e+00 -1.5731700000e-01  2.9671100000e-01 -4.2146100000e-01  5.4946900000e-01
-ENERGY -1.526579263609e+02
-FORCES  2.0200000000e-05  4.1724000000e-03 -2.4322000000e-03  2.4365000000e-03 -4.3437000000e-03 -2.5020000000e-03 -2.5216000000e-03 -2.8077000000e-03  3.5302000000e-03 -2.5453000000e-03  9.4824000000e-03 -4.6164000000e-03 -2.1061000000e-03 -1.1100000000e-05  1.6179000000e-03  4.7162000000e-03 -6.4923000000e-03  4.4025000000e-03
-
-JOB 50
-COORDS  7.1658600000e-01  1.1266000000e+00  6.3523700000e-01  7.1814000000e-02  4.2767800000e-01  5.2564900000e-01  4.3260400000e-01  1.5940860000e+00  1.4207580000e+00 -6.1901600000e-01 -1.1142350000e+00 -6.2177000000e-01 -4.7717500000e-01 -1.4101040000e+00 -1.5209780000e+00 -1.5213140000e+00 -7.9482200000e-01 -6.1373200000e-01
-ENERGY -1.526583579498e+02
-FORCES -3.2724000000e-03 -6.3287000000e-03 -1.3393000000e-03  9.7500000000e-05  8.2596000000e-03  5.3031000000e-03 -3.9550000000e-04 -2.6855000000e-03 -3.2790000000e-03  3.3890000000e-04  1.3340000000e-04 -6.3296000000e-03 -2.3644000000e-03  3.4870000000e-04  3.8576000000e-03  5.5959000000e-03  2.7250000000e-04  1.7872000000e-03
-
-JOB 51
-COORDS -6.8182800000e-01  7.3197200000e-01 -1.1453090000e+00 -1.4153080000e+00  1.1877100000e-01 -1.1924690000e+00 -1.0269300000e-01  3.6258900000e-01 -4.7868300000e-01  7.1433500000e-01 -6.0856700000e-01  1.0949200000e+00 -1.2997500000e-01 -8.6475400000e-01  1.4660550000e+00  1.1690230000e+00 -1.4363180000e+00  9.3897500000e-01
-ENERGY -1.526599864174e+02
-FORCES  4.0693000000e-03 -5.8478000000e-03  6.5543000000e-03  2.2309000000e-03  1.6131000000e-03  9.7330000000e-04 -6.8057000000e-03  3.8980000000e-03 -6.8123000000e-03 -1.3090000000e-04 -5.0397000000e-03  2.6375000000e-03  3.7703000000e-03  1.4578000000e-03 -4.2819000000e-03 -3.1339000000e-03  3.9186000000e-03  9.2890000000e-04
-
-JOB 52
-COORDS  3.5813700000e-01  1.4791910000e+00 -5.1578000000e-02  2.3070900000e-01  5.3174100000e-01 -9.9868000000e-02 -4.1459600000e-01  1.8474120000e+00 -4.7998100000e-01 -2.6806800000e-01 -1.4076250000e+00  3.4075000000e-02 -1.2006380000e+00 -1.3138250000e+00  2.2835700000e-01  1.9272000000e-02 -2.1371300000e+00  5.8315700000e-01
-ENERGY -1.526605043549e+02
-FORCES -2.3608000000e-03 -8.2944000000e-03 -1.6551000000e-03 -5.8660000000e-04  1.0312500000e-02 -5.0670000000e-04  1.7803000000e-03 -1.9926000000e-03  1.8277000000e-03 -1.1159000000e-03 -3.4755000000e-03  4.1784000000e-03  5.0113000000e-03  7.6270000000e-04 -1.2321000000e-03 -2.7283000000e-03  2.6873000000e-03 -2.6121000000e-03
-
-JOB 53
-COORDS -6.7426900000e-01  1.3192660000e+00  3.6593000000e-02 -5.6844400000e-01  1.5325270000e+00  9.6371400000e-01 -8.2010000000e-03  1.8437260000e+00 -4.0784600000e-01  6.1022600000e-01 -1.4200000000e+00 -3.4424000000e-02  1.0338800000e-01 -6.2796300000e-01 -2.1337700000e-01  1.4503040000e+00 -1.2704530000e+00 -4.6817100000e-01
-ENERGY -1.526602564244e+02
-FORCES  2.0791000000e-03  5.0527000000e-03  4.1052000000e-03 -2.3900000000e-04 -5.0880000000e-04 -5.0930000000e-03 -2.3815000000e-03 -4.1919000000e-03  2.0799000000e-03 -2.4297000000e-03  7.9264000000e-03 -2.0814000000e-03  5.7539000000e-03 -8.6207000000e-03 -5.2070000000e-04 -2.7828000000e-03  3.4230000000e-04  1.5100000000e-03
-
-JOB 54
-COORDS -1.0507380000e+00  6.5408600000e-01  9.1695700000e-01 -5.7870800000e-01  1.2389510000e+00  1.5097080000e+00 -3.6591600000e-01  2.4409100000e-01  3.8860600000e-01  9.6714800000e-01 -5.9479100000e-01 -9.1251000000e-01  4.5486600000e-01 -1.2872850000e+00 -1.3299440000e+00  1.7749130000e+00 -1.0274280000e+00 -6.3579400000e-01
-ENERGY -1.526615127940e+02
-FORCES  8.3292000000e-03 -1.1766000000e-03 -3.8525000000e-03 -1.1788000000e-03 -2.0169000000e-03 -1.6396000000e-03 -8.1888000000e-03  2.9282000000e-03  5.9631000000e-03  2.3220000000e-03 -5.0770000000e-03 -1.8754000000e-03  2.6963000000e-03  3.5438000000e-03  3.0250000000e-03 -3.9800000000e-03  1.7984000000e-03 -1.6206000000e-03
-
-JOB 55
-COORDS -7.9271000000e-01 -1.1872240000e+00 -5.6746000000e-01 -4.8926900000e-01 -4.6938600000e-01 -1.1705000000e-02 -1.0295720000e+00 -1.8823930000e+00  4.6436000000e-02  7.6719700000e-01  1.1459860000e+00  5.5463400000e-01  1.5030680000e+00  1.0233270000e+00 -4.5100000000e-02  3.8733800000e-01  1.9867630000e+00  2.9961900000e-01
-ENERGY -1.526618147307e+02
-FORCES  2.6413000000e-03  4.1755000000e-03  6.0625000000e-03 -5.2525000000e-03 -7.8896000000e-03 -4.6759000000e-03  1.0791000000e-03  2.6860000000e-03 -1.6742000000e-03  3.6811000000e-03  4.3061000000e-03 -3.7582000000e-03 -3.9303000000e-03  1.0894000000e-03  3.1155000000e-03  1.7814000000e-03 -4.3674000000e-03  9.3020000000e-04
-
-JOB 56
-COORDS  3.9933600000e-01  5.5372600000e-01  1.3074070000e+00  1.2522480000e+00  1.3299500000e-01  1.4158460000e+00 -7.2300000000e-04  5.1258800000e-01  2.1760220000e+00 -4.1162100000e-01 -5.9273600000e-01 -1.3723850000e+00  2.1743000000e-02 -1.8731000000e-02 -7.4076400000e-01 -1.0601730000e+00 -3.3186000000e-02 -1.7996040000e+00
-ENERGY -1.526593484731e+02
-FORCES -7.5600000000e-04 -3.0066000000e-03  5.2879000000e-03 -4.3508000000e-03  2.0124000000e-03 -1.5959000000e-03  2.9422000000e-03  5.0020000000e-04 -2.8680000000e-03 -6.7780000000e-04  5.9470000000e-03  5.7898000000e-03  9.1770000000e-04 -3.5322000000e-03 -8.0454000000e-03  1.9247000000e-03 -1.9209000000e-03  1.4316000000e-03
-
-JOB 57
-COORDS  6.7366100000e-01  1.3139130000e+00  1.3375500000e-01  3.5043100000e-01  1.8628340000e+00 -5.8069600000e-01  1.6201720000e+00  1.2743820000e+00 -3.3080000000e-03 -7.0093200000e-01 -1.3926500000e+00 -1.2619800000e-01 -1.2055900000e+00 -1.4231710000e+00  6.8658800000e-01 -3.6805900000e-01 -4.9619000000e-01 -1.6848200000e-01
-ENERGY -1.526612757899e+02
-FORCES  5.1178000000e-03  3.5550000000e-03 -2.0931000000e-03  1.2254000000e-03 -4.1585000000e-03  3.2899000000e-03 -4.7904000000e-03  9.8690000000e-04  2.3330000000e-04  2.4779000000e-03  7.8639000000e-03  4.1683000000e-03  1.3197000000e-03 -2.0200000000e-04 -2.6565000000e-03 -5.3504000000e-03 -8.0453000000e-03 -2.9419000000e-03
-
-JOB 58
-COORDS  1.1396280000e+00 -1.0603290000e+00 -6.5713000000e-02  6.7721500000e-01 -1.0383100000e+00  7.7209400000e-01  4.9928900000e-01 -1.4122170000e+00 -6.8407600000e-01 -1.0674830000e+00  1.1370170000e+00  8.9631000000e-02 -7.1286500000e-01  9.4805100000e-01 -7.7914400000e-01 -1.5473360000e+00  3.4459100000e-01  3.3053600000e-01
-ENERGY -1.526523325117e+02
-FORCES -4.9971000000e-03  9.6120000000e-04  2.9740000000e-03  1.3043000000e-03 -2.1123000000e-03 -3.6936000000e-03  1.5113000000e-03  3.1026000000e-03  2.0446000000e-03  2.7794000000e-03 -4.3877000000e-03 -3.6717000000e-03 -3.6682000000e-03  5.0680000000e-04  2.6646000000e-03  3.0704000000e-03  1.9294000000e-03 -3.1790000000e-04
-
-JOB 59
-COORDS  8.3732800000e-01  4.7331400000e-01 -1.1851850000e+00  1.6197840000e+00 -7.7382000000e-02 -1.1581900000e+00  9.5641700000e-01  1.0948610000e+00 -4.6704200000e-01 -8.4392600000e-01 -5.1609900000e-01  1.1675590000e+00 -9.3033500000e-01 -1.5327300000e-01  2.8601400000e-01 -1.6148740000e+00 -1.9553300000e-01  1.6356490000e+00
-ENERGY -1.526589249130e+02
-FORCES  6.1044000000e-03 -1.1083000000e-03  4.1070000000e-03 -2.7192000000e-03  3.0683000000e-03 -7.9400000000e-04 -2.2002000000e-03 -2.5073000000e-03 -3.8559000000e-03 -2.1730000000e-03  1.1114000000e-03 -4.6761000000e-03 -2.4184000000e-03 -1.4710000000e-04  7.7438000000e-03  3.4064000000e-03 -4.1710000000e-04 -2.5248000000e-03
-
-JOB 60
-COORDS -2.6369000000e-02  1.2437390000e+00  9.8017100000e-01  1.4906100000e-01  4.8623300000e-01  4.2192300000e-01 -3.7081500000e-01  8.6960100000e-01  1.7911020000e+00  4.8158000000e-02 -1.1147680000e+00 -9.5862400000e-01 -6.7368900000e-01 -1.2941090000e+00 -1.5611220000e+00  5.8828500000e-01 -1.9044170000e+00 -9.8942400000e-01
-ENERGY -1.526612353618e+02
-FORCES -5.6130000000e-04 -7.6241000000e-03 -2.5995000000e-03  2.3070000000e-04  7.3043000000e-03  6.3361000000e-03  1.0822000000e-03  1.2171000000e-03 -2.4055000000e-03 -1.4675000000e-03 -3.5387000000e-03 -3.6573000000e-03  3.8049000000e-03 -5.7690000000e-04  2.4477000000e-03 -3.0890000000e-03  3.2183000000e-03 -1.2150000000e-04
-
-JOB 61
-COORDS -7.4823200000e-01  1.3278390000e+00 -1.9076800000e-01  2.0025000000e-02  1.8414600000e+00  5.8643000000e-02 -1.4098770000e+00  1.5525960000e+00  4.6340500000e-01  7.8947600000e-01 -1.4033950000e+00  1.8429600000e-01  3.9532000000e-01 -1.7571200000e+00 -6.1304400000e-01  4.4483900000e-01 -5.1263700000e-01  2.4759800000e-01
-ENERGY -1.526598660671e+02
-FORCES -2.3657000000e-03  5.9672000000e-03  2.6298000000e-03 -3.3454000000e-03 -5.0309000000e-03 -4.2920000000e-04  3.6465000000e-03 -9.0810000000e-04 -3.1100000000e-03 -6.2640000000e-03  5.2521000000e-03 -4.2413000000e-03  1.9010000000e-03 -4.4900000000e-05  2.6841000000e-03  6.4275000000e-03 -5.2355000000e-03  2.4665000000e-03
-
-JOB 62
-COORDS  1.1122840000e+00  2.8239000000e-01 -1.0279170000e+00  9.9380400000e-01  1.1517950000e+00 -6.4538900000e-01  1.2629070000e+00  4.4815900000e-01 -1.9585440000e+00 -1.1747220000e+00 -3.6063400000e-01  1.0661840000e+00 -4.0348000000e-01 -8.8018200000e-01  1.2930920000e+00 -8.2011300000e-01  4.7346100000e-01  7.5833600000e-01
-ENERGY -1.526536548855e+02
-FORCES  1.2830000000e-04  3.5942000000e-03 -4.1854000000e-03 -1.7008000000e-03 -4.6989000000e-03  4.2630000000e-04 -4.8260000000e-04 -5.6020000000e-04  4.2408000000e-03  7.3197000000e-03 -1.9800000000e-04 -4.2431000000e-03 -3.9422000000e-03  1.7784000000e-03  1.4272000000e-03 -1.3224000000e-03  8.4500000000e-05  2.3343000000e-03
-
-JOB 63
-COORDS -7.5974600000e-01 -1.1877250000e+00  8.5683000000e-01 -6.1945000000e-02 -1.2963580000e+00  2.1068400000e-01 -1.2544070000e+00 -4.2771200000e-01  5.5036300000e-01  6.9184700000e-01  1.1605870000e+00 -8.2909300000e-01  1.1614740000e+00  1.6931230000e+00 -1.8715300000e-01  1.2360340000e+00  3.8070600000e-01 -9.3808300000e-01
-ENERGY -1.526553174531e+02
-FORCES  9.5060000000e-04  6.1957000000e-03 -5.7539000000e-03 -6.0000000000e-05 -1.0109000000e-03  1.9068000000e-03 -1.6250000000e-04 -4.5456000000e-03  2.8893000000e-03  5.5361000000e-03  2.4830000000e-04  3.0114000000e-03 -2.1037000000e-03 -2.2268000000e-03 -3.2711000000e-03 -4.1605000000e-03  1.3394000000e-03  1.2175000000e-03
-
-JOB 64
-COORDS  6.6409400000e-01  8.6221000000e-01  1.0978670000e+00  6.3449300000e-01  1.3177880000e+00  1.9391780000e+00  1.3720990000e+00  2.2534000000e-01  1.1946040000e+00 -6.5464500000e-01 -8.7140000000e-01 -1.1880560000e+00 -1.6010550000e+00 -9.8509000000e-01 -1.2753160000e+00 -5.4539700000e-01 -3.8948600000e-01 -3.6826600000e-01
-ENERGY -1.526600078852e+02
-FORCES  4.3336000000e-03  1.2283000000e-03  4.8541000000e-03  9.0520000000e-04 -2.1221000000e-03 -3.5451000000e-03 -4.4034000000e-03  2.8166000000e-03 -1.3170000000e-04 -2.1106000000e-03  4.0974000000e-03  4.4883000000e-03  3.2096000000e-03  5.3740000000e-04  5.3650000000e-04 -1.9344000000e-03 -6.5576000000e-03 -6.2021000000e-03
-
-JOB 65
-COORDS  5.4467500000e-01  4.0501900000e-01  1.5280040000e+00 -1.9140200000e-01  1.8547200000e-01  9.5684600000e-01  1.3057990000e+00  1.2895000000e-02  1.1000300000e+00 -5.4324600000e-01 -3.8234100000e-01 -1.4088910000e+00 -3.6790200000e-01  4.5799800000e-01 -1.8323500000e+00 -7.5330300000e-01 -9.7539000000e-01 -2.1302790000e+00
-ENERGY -1.526594056492e+02
-FORCES -1.0658000000e-03 -4.5856000000e-03 -6.6656000000e-03  2.6574000000e-03  3.2656000000e-03  5.5223000000e-03 -1.2622000000e-03  2.1423000000e-03  2.6353000000e-03 -8.3570000000e-04  2.2870000000e-04 -6.1173000000e-03 -7.9350000000e-04 -4.1744000000e-03  2.0661000000e-03  1.2998000000e-03  3.1234000000e-03  2.5592000000e-03
-
-JOB 66
-COORDS  1.3730300000e-01  1.1261040000e+00  1.2128700000e+00 -6.8576800000e-01  1.0284020000e+00  1.6916610000e+00  1.1386900000e-01  4.3438700000e-01  5.5165100000e-01 -6.7056000000e-02 -1.1138100000e+00 -1.1512560000e+00 -9.7950100000e-01 -8.3822600000e-01 -1.2391660000e+00  3.3914200000e-01 -8.6756100000e-01 -1.9822780000e+00
-ENERGY -1.526593143581e+02
-FORCES -1.6112000000e-03 -5.8277000000e-03 -2.2701000000e-03  2.4842000000e-03  2.8170000000e-04 -2.3733000000e-03 -1.9755000000e-03  7.2962000000e-03  5.8680000000e-03 -1.5085000000e-03 -4.4510000000e-04 -7.4646000000e-03  5.0608000000e-03 -1.5000000000e-05  2.3665000000e-03 -2.4497000000e-03 -1.2902000000e-03  3.8735000000e-03
-
-JOB 67
-COORDS -5.9243000000e-02 -8.3619400000e-01 -1.4860340000e+00  5.8403100000e-01 -4.4907400000e-01 -2.0798090000e+00 -5.4958000000e-02 -2.6201900000e-01 -7.2017700000e-01  2.4996000000e-02  7.2216700000e-01  1.4534100000e+00  1.1301100000e-01  1.5692730000e+00  1.0164930000e+00 -1.1089100000e-01  9.4064100000e-01  2.3753840000e+00
-ENERGY -1.526573104124e+02
-FORCES  2.4487000000e-03  2.9595000000e-03  3.5987000000e-03 -2.5189000000e-03 -8.8640000000e-04  2.3860000000e-03  2.2980000000e-04 -8.5950000000e-04 -7.9801000000e-03 -7.9260000000e-04  3.9260000000e-03  5.8310000000e-03 -3.2040000000e-04 -5.2546000000e-03  1.4120000000e-04  9.5350000000e-04  1.1510000000e-04 -3.9768000000e-03
-
-JOB 68
-COORDS  2.1266400000e-01 -1.4718080000e+00  8.3793200000e-01  5.5138500000e-01 -1.7841340000e+00  1.6769500000e+00  2.7445500000e-01 -5.1826000000e-01  8.9415500000e-01 -2.6804500000e-01  1.3857800000e+00 -8.6736400000e-01  6.5972600000e-01  1.4365050000e+00 -1.0973640000e+00 -6.1074900000e-01  2.2588630000e+00 -1.0584440000e+00
-ENERGY -1.526566252416e+02
-FORCES -9.3800000000e-05  3.9925000000e-03  2.6408000000e-03 -1.2891000000e-03  1.4748000000e-03 -3.3653000000e-03  2.5628000000e-03 -6.2510000000e-03  1.7735000000e-03  1.1164000000e-03  4.7341000000e-03 -4.1059000000e-03 -4.0888000000e-03 -2.0350000000e-04  2.5552000000e-03  1.7925000000e-03 -3.7468000000e-03  5.0170000000e-04
-
-JOB 69
-COORDS  1.1138930000e+00  1.1807200000e+00  8.6758500000e-01  4.8017700000e-01  4.8106100000e-01  7.0911600000e-01  8.2393600000e-01  1.5866420000e+00  1.6845210000e+00 -1.0660750000e+00 -1.2004410000e+00 -8.4312600000e-01 -1.6479180000e+00 -5.0035700000e-01 -1.1390510000e+00 -4.3874800000e-01 -1.3093090000e+00 -1.5578570000e+00
-ENERGY -1.526582966980e+02
-FORCES -4.1040000000e-03 -2.7292000000e-03  2.5195000000e-03  4.3400000000e-03  5.7898000000e-03  1.7546000000e-03  9.0230000000e-04 -1.4038000000e-03 -3.1914000000e-03 -1.2005000000e-03  4.9900000000e-04 -6.7105000000e-03  2.9856000000e-03 -2.8545000000e-03  2.0682000000e-03 -2.9235000000e-03  6.9870000000e-04  3.5597000000e-03
-
-JOB 70
-COORDS  9.4449600000e-01  1.3083400000e-01  1.6453950000e+00  8.3621800000e-01  1.0906300000e-01  6.9458800000e-01  1.2069240000e+00 -7.5994600000e-01  1.8775070000e+00 -9.3061400000e-01 -9.2596000000e-02 -1.5389860000e+00 -1.3004440000e+00 -7.0696500000e-01 -2.1730270000e+00 -9.5198500000e-01  7.5420600000e-01 -1.9847450000e+00
-ENERGY -1.526572079259e+02
-FORCES -1.0172000000e-03 -4.0582000000e-03 -4.4230000000e-03  3.0086000000e-03  1.1096000000e-03  5.8186000000e-03 -6.6850000000e-04  3.2556000000e-03 -4.7400000000e-04 -3.3184000000e-03  7.0660000000e-04 -5.2574000000e-03  1.4861000000e-03  2.8334000000e-03  2.4474000000e-03  5.0950000000e-04 -3.8471000000e-03  1.8883000000e-03
-
-JOB 71
-COORDS  8.3574000000e-02  1.9289790000e+00  3.5449700000e-01  5.0039300000e-01  1.2941120000e+00  9.3711000000e-01 -7.2745000000e-02  1.4443690000e+00 -4.5602700000e-01 -1.4658200000e-01 -1.8262250000e+00 -3.0244400000e-01  3.6299000000e-02 -2.7641400000e+00 -2.4673600000e-01  4.6240200000e-01 -1.5019690000e+00 -9.6594200000e-01
-ENERGY -1.526551052149e+02
-FORCES -3.3890000000e-04 -5.9605000000e-03 -1.2190000000e-04 -6.3090000000e-04  3.8161000000e-03 -2.3864000000e-03  1.7259000000e-03  2.5561000000e-03  2.1616000000e-03  2.7400000000e-03 -4.6238000000e-03 -2.6811000000e-03 -6.6400000000e-04  4.0869000000e-03 -3.3210000000e-04 -2.8322000000e-03  1.2520000000e-04  3.3598000000e-03
-
-JOB 72
-COORDS  1.7516060000e+00  4.8697500000e-01 -8.4073800000e-01  2.3264990000e+00 -2.4790000000e-01 -6.2698900000e-01  1.2968090000e+00  6.8209500000e-01 -2.1396000000e-02 -1.8031060000e+00 -4.7471500000e-01  8.2932200000e-01 -1.0647290000e+00  1.3012600000e-01  9.0142200000e-01 -1.8023890000e+00 -7.4596100000e-01 -8.8642000000e-02
-ENERGY -1.526535636249e+02
-FORCES  2.4216000000e-03 -2.2653000000e-03  4.2388000000e-03 -2.6412000000e-03  3.3552000000e-03 -1.0711000000e-03 -3.2630000000e-04 -1.1409000000e-03 -3.4079000000e-03  2.2904000000e-03  1.3635000000e-03 -4.5777000000e-03 -1.3640000000e-03 -2.2171000000e-03  3.3480000000e-04 -3.8050000000e-04  9.0460000000e-04  4.4831000000e-03
-
-JOB 73
-COORDS  2.1570200000e-01  1.7510630000e+00 -1.0929230000e+00  5.9218700000e-01  8.9825000000e-01 -1.3101800000e+00 -6.4332700000e-01  1.5470190000e+00 -7.2323800000e-01 -1.8410700000e-01 -1.6885700000e+00  1.0247860000e+00 -8.1571800000e-01 -2.2789900000e+00  1.4355220000e+00  2.5156100000e-01 -1.2550630000e+00  1.7586100000e+00
-ENERGY -1.526564577343e+02
-FORCES -2.3066000000e-03 -5.6925000000e-03  7.4830000000e-04 -7.8770000000e-04  4.4598000000e-03  2.0960000000e-04  3.1430000000e-03  2.0627000000e-03 -1.5238000000e-03 -5.5440000000e-04 -1.5652000000e-03  5.4246000000e-03  2.6071000000e-03  2.6346000000e-03 -1.6062000000e-03 -2.1013000000e-03 -1.8995000000e-03 -3.2525000000e-03
-
-JOB 74
-COORDS  4.1320000000e-02  5.2919800000e-01  2.2181680000e+00 -8.6500200000e-01  2.2134000000e-01  2.2121790000e+00  5.0176400000e-01 -6.8698000000e-02  1.6293180000e+00  3.0677000000e-02 -4.3854700000e-01 -2.1930680000e+00 -8.0472300000e-01 -3.0756300000e-01 -1.7445340000e+00 -6.9110000000e-03 -1.3403090000e+00 -2.5118850000e+00
-ENERGY -1.526542688134e+02
-FORCES -1.0272000000e-03 -3.5600000000e-03 -2.5485000000e-03  3.4769000000e-03  1.2257000000e-03 -3.4110000000e-04 -2.5304000000e-03  2.2835000000e-03  3.1499000000e-03 -3.8552000000e-03 -2.6808000000e-03 -7.6440000000e-04  3.7430000000e-03 -1.0575000000e-03 -1.2375000000e-03  1.9290000000e-04  3.7892000000e-03  1.7416000000e-03
-
-JOB 75
-COORDS  1.2543070000e+00 -1.8399460000e+00 -4.2054100000e-01  8.3065400000e-01 -2.4002990000e+00  2.2965400000e-01  6.5971800000e-01 -1.8507700000e+00 -1.1705930000e+00 -1.1947330000e+00  1.9411550000e+00  4.1747000000e-01 -1.0539660000e+00  1.4012770000e+00  1.1952550000e+00 -1.3879710000e+00  1.3132900000e+00 -2.7871700000e-01
-ENERGY -1.526538251042e+02
-FORCES -3.2238000000e-03 -3.1070000000e-03 -8.4410000000e-04  1.4430000000e-03  2.8359000000e-03 -2.6205000000e-03  2.0093000000e-03  4.8420000000e-04  3.4694000000e-03  8.6500000000e-04 -5.0069000000e-03  3.5660000000e-04 -1.2573000000e-03  2.3180000000e-03 -2.9379000000e-03  1.6380000000e-04  2.4759000000e-03  2.5765000000e-03
-
-JOB 76
-COORDS -1.6279500000e-01  2.4905160000e+00  5.9376200000e-01 -7.4673200000e-01  2.1168420000e+00 -6.6251000000e-02 -3.5401000000e-02  1.7853220000e+00  1.2283520000e+00  1.4535200000e-01 -2.4620830000e+00 -6.3094800000e-01  2.3637500000e-01 -2.4764440000e+00  3.2180600000e-01  7.9828000000e-01 -1.8268410000e+00 -9.2485900000e-01
-ENERGY -1.526542089559e+02
-FORCES -2.5375000000e-03 -4.0728000000e-03 -5.0500000000e-05  2.7940000000e-03  1.5944000000e-03  2.7731000000e-03 -9.1600000000e-05  2.6318000000e-03 -2.6827000000e-03  3.6208000000e-03  1.6905000000e-03  2.3824000000e-03 -6.2610000000e-04  5.5760000000e-04 -3.8922000000e-03 -3.1596000000e-03 -2.4015000000e-03  1.4699000000e-03
-
-JOB 77
-COORDS  8.1710800000e-01  8.3612900000e-01 -2.2570450000e+00  1.3414240000e+00  9.2140300000e-01 -1.4607700000e+00  8.6440700000e-01 -9.4245000000e-02 -2.4770420000e+00 -8.3835400000e-01 -7.6511800000e-01  2.1680780000e+00 -1.6575410000e+00 -9.1435900000e-01  2.6401910000e+00 -1.5582300000e-01 -1.0498050000e+00  2.7758100000e+00
-ENERGY -1.526543143917e+02
-FORCES  1.6258000000e-03 -3.7060000000e-03  3.2534000000e-03 -1.4584000000e-03 -1.0850000000e-04 -3.6740000000e-03  1.0080000000e-04  3.7488000000e-03  4.2080000000e-04 -1.1766000000e-03 -1.6375000000e-03  4.5601000000e-03  3.4824000000e-03  4.9890000000e-04 -1.8164000000e-03 -2.5740000000e-03  1.2044000000e-03 -2.7438000000e-03
-
-JOB 78
-COORDS  4.8021300000e-01  2.6689400000e+00  9.2627000000e-02 -1.9584000000e-01  2.3765070000e+00 -5.1865600000e-01  1.0595020000e+00  3.2185540000e+00 -4.3518100000e-01 -4.9643900000e-01 -2.7464420000e+00 -3.8581000000e-02 -1.0220590000e+00 -1.9604950000e+00 -1.8772100000e-01  3.7440100000e-01 -2.4148030000e+00  1.8024300000e-01
-ENERGY -1.526543281413e+02
-FORCES -2.9800000000e-04  1.8650000000e-03 -4.6759000000e-03  2.8014000000e-03  5.8780000000e-04  2.6458000000e-03 -2.4337000000e-03 -2.3822000000e-03  2.1778000000e-03  1.5924000000e-03  4.6936000000e-03  7.6270000000e-04  1.9402000000e-03 -3.1562000000e-03  2.2960000000e-04 -3.6023000000e-03 -1.6080000000e-03 -1.1400000000e-03
-
-JOB 79
-COORDS -7.0022600000e-01 -2.7700650000e+00 -4.7943000000e-01 -2.0657000000e-01 -1.9882920000e+00 -2.3170400000e-01 -1.6012550000e+00 -2.5770380000e+00 -2.2035700000e-01  6.9575400000e-01  2.6530380000e+00  4.6691200000e-01  4.8191600000e-01  3.5222840000e+00  8.0590500000e-01  1.3933960000e+00  2.8086700000e+00 -1.6972500000e-01
-ENERGY -1.526549696900e+02
-FORCES -1.6034000000e-03  4.4382000000e-03  2.2376000000e-03 -1.9131000000e-03 -3.6718000000e-03 -1.2028000000e-03  3.4753000000e-03 -1.0341000000e-03 -1.0969000000e-03  2.0586000000e-03  4.5784000000e-03 -1.1447000000e-03  8.9510000000e-04 -3.5523000000e-03 -1.4262000000e-03 -2.9125000000e-03 -7.5840000000e-04  2.6330000000e-03
-
-JOB 80
-COORDS -6.1093400000e-01  1.4472140000e+00 -2.5552570000e+00  2.7177800000e-01  1.6565360000e+00 -2.8606030000e+00 -7.4205100000e-01  2.0128180000e+00 -1.7942500000e+00  5.5360900000e-01 -1.5446440000e+00  2.4873900000e+00 -5.5555000000e-02 -9.3951100000e-01  2.9104330000e+00  1.4197130000e+00 -1.2470270000e+00  2.7658160000e+00
-ENERGY -1.526536988648e+02
-FORCES  3.1687000000e-03  2.8178000000e-03  1.9920000000e-03 -3.6135000000e-03 -7.1260000000e-04  1.1924000000e-03  4.8370000000e-04 -2.1247000000e-03 -3.0895000000e-03  9.3260000000e-04  3.4970000000e-03  2.8136000000e-03  2.5615000000e-03 -2.3536000000e-03 -1.7266000000e-03 -3.5330000000e-03 -1.1240000000e-03 -1.1820000000e-03
-
-JOB 81
-COORDS  1.6709980000e+00  2.4425700000e+00  4.7523800000e-01  1.9758160000e+00  2.2946180000e+00  1.3704640000e+00  2.3835340000e+00  2.1209790000e+00 -7.7124000000e-02 -1.7562730000e+00 -2.4313990000e+00 -4.3208900000e-01 -8.9140700000e-01 -2.6648670000e+00 -7.6933000000e-01 -2.1701550000e+00 -1.9479130000e+00 -1.1470540000e+00
-ENERGY -1.526540374681e+02
-FORCES  4.0505000000e-03 -1.9145000000e-03  1.6927000000e-03 -1.1148000000e-03  6.7630000000e-04 -3.7401000000e-03 -2.9560000000e-03  1.2233000000e-03  2.1152000000e-03  1.8405000000e-03  1.4729000000e-03 -4.2546000000e-03 -3.4360000000e-03  7.5830000000e-04  1.3710000000e-03  1.6158000000e-03 -2.2163000000e-03  2.8158000000e-03
-
-JOB 82
-COORDS -1.3784030000e+00 -2.6310860000e+00  1.5642440000e+00 -2.0953770000e+00 -2.8700550000e+00  2.1516740000e+00 -9.3205000000e-01 -1.9115740000e+00  2.0106790000e+00  1.3881780000e+00  2.5454130000e+00 -1.5817650000e+00  9.0529700000e-01  3.3506190000e+00 -1.3954760000e+00  1.9016030000e+00  2.7489000000e+00 -2.3635710000e+00
-ENERGY -1.526540239468e+02
-FORCES -8.8780000000e-04  2.2043000000e-03  4.0335000000e-03  2.8689000000e-03  9.3520000000e-04 -2.3839000000e-03 -1.9759000000e-03 -3.1040000000e-03 -1.5914000000e-03  8.7200000000e-05  3.9915000000e-03 -2.6340000000e-03  1.9818000000e-03 -3.2729000000e-03 -6.5250000000e-04 -2.0742000000e-03 -7.5400000000e-04  3.2283000000e-03
-
-JOB 83
-COORDS  1.4939700000e-01  2.6624750000e+00 -2.3734810000e+00  5.4141600000e-01  1.8099950000e+00 -2.1841940000e+00 -5.2863700000e-01  2.4759510000e+00 -3.0228740000e+00 -1.4573100000e-01 -2.6595780000e+00  2.4302740000e+00 -5.9248600000e-01 -2.3243680000e+00  1.6529220000e+00  5.0302300000e-01 -1.9884740000e+00  2.6423310000e+00
-ENERGY -1.526539292771e+02
-FORCES -1.1164000000e-03 -4.0471000000e-03 -2.1935000000e-03 -1.6926000000e-03  3.3757000000e-03 -5.1310000000e-04  2.7849000000e-03  6.8950000000e-04  2.7698000000e-03  7.4970000000e-04  4.1644000000e-03 -2.0607000000e-03  1.9084000000e-03 -1.3866000000e-03  3.0034000000e-03 -2.6339000000e-03 -2.7959000000e-03 -1.0059000000e-03
-
-JOB 84
-COORDS  2.1022200000e-01  1.1318320000e+00 -3.4379810000e+00 -8.1229000000e-02  9.3745300000e-01 -2.5471920000e+00  7.8440400000e-01  4.0115000000e-01 -3.6674390000e+00 -1.8542900000e-01 -1.0752980000e+00  3.3503110000e+00 -9.1687100000e-01 -1.6864400000e+00  3.4382300000e+00 -1.8622100000e-01 -5.8058500000e-01  4.1697560000e+00
-ENERGY -1.526544678519e+02
-FORCES  1.2395000000e-03 -3.7934000000e-03  2.9529000000e-03  1.0816000000e-03  8.4220000000e-04 -3.8366000000e-03 -2.3399000000e-03  2.9588000000e-03  7.8400000000e-04 -2.9489000000e-03 -4.7810000000e-04  3.9439000000e-03  2.9893000000e-03  2.5124000000e-03 -4.6720000000e-04 -2.1500000000e-05 -2.0419000000e-03 -3.3770000000e-03
-
-JOB 85
-COORDS -7.9292900000e-01 -1.7403240000e+00 -3.3185140000e+00 -6.4470100000e-01 -1.4485070000e+00 -4.2180160000e+00  7.6605000000e-02 -1.9789380000e+00 -2.9972550000e+00  7.7125300000e-01  1.6839100000e+00  3.3301270000e+00  1.7665000000e-01  2.2453630000e+00  2.8326830000e+00  7.6463400000e-01  2.0509730000e+00  4.2141250000e+00
-ENERGY -1.526541686648e+02
-FORCES  4.2412000000e-03  1.7230000000e-04 -2.2176000000e-03 -6.4100000000e-04 -1.1596000000e-03  3.6398000000e-03 -3.5807000000e-03  9.6040000000e-04 -1.4417000000e-03 -2.5990000000e-03  3.7334000000e-03  1.5301000000e-03  2.5146000000e-03 -2.2219000000e-03  2.0806000000e-03  6.4900000000e-05 -1.4847000000e-03 -3.5912000000e-03
-
-JOB 86
-COORDS  6.1662300000e-01 -2.0940410000e+00  3.5271880000e+00  7.9392000000e-02 -1.3580820000e+00  3.2339670000e+00  1.5133710000e+00 -1.7599230000e+00  3.5062200000e+00 -6.1176600000e-01  1.9796340000e+00 -3.4709680000e+00 -1.4453360000e+00  1.9971700000e+00 -3.9411660000e+00 -2.1767800000e-01  2.8335400000e+00 -3.6492140000e+00
-ENERGY -1.526542161583e+02
-FORCES  1.4512000000e-03  4.3977000000e-03 -1.5269000000e-03  2.1680000000e-03 -3.0072000000e-03  1.3648000000e-03 -3.6115000000e-03 -1.3784000000e-03  1.9960000000e-04 -1.8221000000e-03  3.5068000000e-03 -2.7930000000e-03  3.4091000000e-03 -3.9000000000e-05  1.9570000000e-03 -1.5947000000e-03 -3.4800000000e-03  7.9850000000e-04
-
-JOB 87
-COORDS  5.1672000000e-01  3.0334470000e+00 -2.8247520000e+00  1.1245890000e+00  3.4121410000e+00 -2.1896790000e+00 -2.6470800000e-01  3.5831610000e+00 -2.7663070000e+00 -4.6297300000e-01 -3.0439240000e+00  2.7557120000e+00 -3.5565500000e-01 -3.9859780000e+00  2.8870480000e+00 -1.3344210000e+00 -2.8511310000e+00  3.1016040000e+00
-ENERGY -1.526539821494e+02
-FORCES -6.7990000000e-04  3.6402000000e-03  2.9777000000e-03 -2.4787000000e-03 -1.4423000000e-03 -2.6628000000e-03  3.1620000000e-03 -2.1998000000e-03 -2.8650000000e-04 -3.1239000000e-03 -3.0824000000e-03  1.8209000000e-03 -4.3670000000e-04  3.8466000000e-03 -4.9060000000e-04  3.5573000000e-03 -7.6230000000e-04 -1.3588000000e-03
-
-JOB 88
-COORDS  1.6286500000e-01  1.6998500000e-01 -4.2012140000e+00  1.9663400000e-01 -7.8605800000e-01 -4.2339660000e+00 -7.3098100000e-01  3.6914800000e-01 -3.9226360000e+00 -1.7498600000e-01 -1.4875100000e-01  4.1667700000e+00  1.0704000000e-02  4.8496200000e-01  4.8597050000e+00  6.8664400000e-01 -3.9947400000e-01  3.8336580000e+00
-ENERGY -1.526542121150e+02
-FORCES -3.5919000000e-03 -3.0797000000e-03  1.0686000000e-03 -8.4500000000e-05  3.8857000000e-03  1.0890000000e-04  3.6688000000e-03 -8.0600000000e-04 -1.2039000000e-03  4.3268000000e-03  1.6250000000e-03  1.4610000000e-03 -7.7370000000e-04 -2.5980000000e-03 -2.8087000000e-03 -3.5454000000e-03  9.7300000000e-04  1.3741000000e-03
-
-JOB 89
-COORDS -5.3216100000e-01  3.6831340000e+00  2.1551310000e+00 -7.8271700000e-01  3.5291110000e+00  3.0660270000e+00  4.1438400000e-01  3.8219920000e+00  2.1867850000e+00  4.3803500000e-01 -3.6520520000e+00 -2.1708640000e+00  4.6663700000e-01 -4.5035360000e+00 -2.6071990000e+00  1.3251040000e+00 -3.3047030000e+00 -2.2640800000e+00
-ENERGY -1.526539386361e+02
-FORCES  2.7905000000e-03 -1.9490000000e-04  3.8209000000e-03  1.0410000000e-03  6.9040000000e-04 -3.6948000000e-03 -3.8316000000e-03 -5.2310000000e-04 -1.3130000000e-04  3.6930000000e-03 -1.9646000000e-03 -2.1864000000e-03 -1.1080000000e-04  3.4584000000e-03  1.7961000000e-03 -3.5821000000e-03 -1.4662000000e-03  3.9550000000e-04
-
-JOB 0
-COORDS -1.9317000000e-02 -9.5229100000e-01  8.3146700000e-01 -9.7388100000e-01 -9.9926700000e-01  7.7823300000e-01  2.8814700000e-01 -1.4557620000e+00  7.7667000000e-02  3.3720000000e-03  9.9468200000e-01 -8.2563100000e-01  8.4544100000e-01  1.4471280000e+00 -7.7619600000e-01  4.6658000000e-02  3.3116700000e-01 -1.3707700000e-01
-ENERGY -1.526548444836e+02
-FORCES -2.6858000000e-03  7.0090000000e-03 -1.0364700000e-02  7.0346000000e-03  3.0991000000e-03 -1.9313000000e-03 -1.6875000000e-03  8.2701000000e-03  2.9604000000e-03  1.6960000000e-03 -1.5694700000e-02  1.9014500000e-02 -1.6201000000e-03 -3.2933000000e-03  9.9670000000e-04 -2.7372000000e-03  6.0980000000e-04 -1.0675500000e-02
-
-JOB 1
-COORDS  9.9358200000e-01 -7.7709300000e-01  2.5317400000e-01  1.3594100000e+00 -8.0078200000e-01  1.1373920000e+00  3.7264100000e-01 -4.8816000000e-02  2.6979300000e-01 -9.2862900000e-01  7.7369200000e-01 -2.6974900000e-01 -1.6175460000e+00  2.2508100000e-01  1.0528700000e-01 -1.0696830000e+00  7.2325400000e-01 -1.2151540000e+00
-ENERGY -1.526563229100e+02
-FORCES -1.5639300000e-02  1.5630200000e-02 -5.6496000000e-03 -4.4440000000e-03  2.5016000000e-03 -2.1515000000e-03  4.7137000000e-03 -7.4357000000e-03  5.0996000000e-03  1.0950300000e-02 -1.3172900000e-02 -1.1894000000e-03  5.4086000000e-03  2.3595000000e-03 -1.4032000000e-03 -9.8930000000e-04  1.1720000000e-04  5.2942000000e-03
-
-JOB 2
-COORDS -6.5527600000e-01  8.6652000000e-01 -8.0955900000e-01 -8.6140000000e-03  2.3484900000e-01 -4.9483400000e-01 -1.3841440000e+00  7.9085500000e-01 -1.9372000000e-01  6.8451200000e-01 -8.0122300000e-01  6.8382600000e-01  7.1804800000e-01 -3.1688100000e-01  1.5087630000e+00  2.3316900000e-01 -1.6165420000e+00  9.0240500000e-01
-ENERGY -1.526564815875e+02
-FORCES  8.8914000000e-03 -1.4921200000e-02  1.3148300000e-02 -2.0789000000e-03  5.3927000000e-03 -4.4627000000e-03  1.2473000000e-03  5.3670000000e-04 -7.8420000000e-04 -7.7840000000e-03  6.8767000000e-03 -3.5313000000e-03 -1.7287000000e-03 -3.1978000000e-03 -4.3390000000e-03  1.4529000000e-03  5.3129000000e-03 -3.1100000000e-05
-
-JOB 3
-COORDS -3.7169200000e-01 -2.5659100000e-01 -1.1625900000e+00 -1.2412230000e+00 -3.7489800000e-01 -1.5448880000e+00  9.3274000000e-02 -1.0675940000e+00 -1.3682910000e+00  3.8049200000e-01  3.1243600000e-01  1.2626780000e+00 -1.0208500000e-01 -1.4044400000e-01  5.7112100000e-01  1.1304880000e+00  7.0404500000e-01  8.1504000000e-01
-ENERGY -1.526561092874e+02
-FORCES  1.5424000000e-03  1.2302000000e-03  5.9364000000e-03  5.1163000000e-03 -2.6750000000e-04  2.8254000000e-03 -2.8879000000e-03  4.9633000000e-03  3.5871000000e-03 -5.1062000000e-03 -1.0890000000e-03 -2.0812800000e-02  1.5359000000e-03 -3.5387000000e-03  6.2860000000e-03 -2.0060000000e-04 -1.2983000000e-03  2.1779000000e-03
-
-JOB 4
-COORDS  7.9161200000e-01  7.1254000000e-01  8.7109800000e-01  2.4597500000e-01  9.9228600000e-01  1.6061180000e+00  1.7799100000e-01  3.1109200000e-01  2.5584100000e-01 -6.5917400000e-01 -6.8413000000e-01 -8.6001100000e-01 -1.3561480000e+00 -1.1950000000e-01 -1.1941550000e+00 -1.0594100000e+00 -1.5518260000e+00 -8.0392000000e-01
-ENERGY -1.526581222833e+02
-FORCES -9.4260000000e-03 -9.7520000000e-03 -8.8211000000e-03  2.1360000000e-04 -1.4902000000e-03 -3.1245000000e-03  2.1966000000e-03  8.6257000000e-03  3.8437000000e-03  2.4689000000e-03  9.3400000000e-05  5.5050000000e-03  4.2051000000e-03 -2.4905000000e-03  4.3073000000e-03  3.4180000000e-04  5.0136000000e-03 -1.7103000000e-03
-
-JOB 5
-COORDS -5.5570300000e-01 -1.1779300000e+00  1.9363100000e-01  8.7011000000e-02 -1.3928020000e+00  8.6963500000e-01 -4.5935800000e-01 -1.8720420000e+00 -4.5841100000e-01  5.7181800000e-01  1.2391760000e+00 -2.2157900000e-01  2.8893000000e-02  1.9152880000e+00  1.8380600000e-01  6.7614000000e-02  4.3220500000e-01 -1.1762400000e-01
-ENERGY -1.526607290400e+02
-FORCES  4.8679000000e-03  1.1258000000e-03 -1.7758000000e-03 -3.2959000000e-03  2.5537000000e-03 -4.8324000000e-03  1.8620000000e-04  3.0241000000e-03  4.2401000000e-03 -9.1251000000e-03 -1.2164600000e-02  1.2389000000e-03  9.1920000000e-04 -3.2174000000e-03 -5.2080000000e-04  6.4477000000e-03  8.6785000000e-03  1.6500000000e-03
-
-JOB 6
-COORDS  3.3478700000e-01  1.4490800000e-01  1.3385900000e+00  1.0728000000e-01  1.7370000000e-03  4.1990900000e-01 -8.2086000000e-02 -5.7972400000e-01  1.8048060000e+00 -2.6657400000e-01 -1.3404000000e-01 -1.2734900000e+00  8.6611000000e-02  7.2292500000e-01 -1.5124520000e+00 -1.1145920000e+00 -1.7584500000e-01 -1.7154730000e+00
-ENERGY -1.526596241109e+02
-FORCES -5.3793000000e-03 -5.3040000000e-03 -1.4156200000e-02  4.7871000000e-03  4.8477000000e-03  7.1782000000e-03  4.5220000000e-04  1.7988000000e-03 -1.7981000000e-03 -1.8584000000e-03  2.9435000000e-03  4.0772000000e-03 -2.7154000000e-03 -5.1323000000e-03  3.4629000000e-03  4.7140000000e-03  8.4630000000e-04  1.2359000000e-03
-
-JOB 7
-COORDS  6.9348800000e-01  7.2441600000e-01  8.2403800000e-01  1.5845800000e+00  1.0647990000e+00  9.0358000000e-01  2.7975800000e-01  9.3716300000e-01  1.6605770000e+00 -7.5150900000e-01 -8.0770000000e-01 -8.5075200000e-01 -6.5051900000e-01 -4.9758000000e-01 -1.7506730000e+00 -2.8499000000e-01 -1.6162200000e-01 -3.2049300000e-01
-ENERGY -1.526598782704e+02
-FORCES -1.3879000000e-03 -3.6983000000e-03 -2.8634000000e-03 -4.5401000000e-03 -5.8170000000e-04  1.4721000000e-03  3.1487000000e-03 -6.1140000000e-04 -4.1286000000e-03  8.5946000000e-03  8.9705000000e-03  6.6837000000e-03  7.6140000000e-04 -2.5110000000e-04  2.8855000000e-03 -6.5768000000e-03 -3.8281000000e-03 -4.0493000000e-03
-
-JOB 8
-COORDS  5.6561300000e-01  1.1583920000e+00 -8.0990000000e-02 -1.4433500000e-01  1.7827320000e+00 -2.3067700000e-01  1.3370830000e+00  1.7041990000e+00  7.1195000000e-02 -5.6509200000e-01 -1.2919320000e+00  9.3343000000e-02  8.4659000000e-02 -6.0070600000e-01  2.2086200000e-01 -1.3291320000e+00 -8.4000300000e-01 -2.6475800000e-01
-ENERGY -1.526578067930e+02
-FORCES -3.3969000000e-03 -2.1494000000e-03  2.1510000000e-04  3.7124000000e-03 -2.8016000000e-03  5.2480000000e-04 -4.4436000000e-03 -2.0604000000e-03 -8.9620000000e-04  4.9832000000e-03  1.4560100000e-02 -2.1868000000e-03 -1.7515000000e-03 -6.5544000000e-03  1.3963000000e-03  8.9630000000e-04 -9.9430000000e-04  9.4680000000e-04
-
-JOB 9
-COORDS  9.5549300000e-01 -7.2965700000e-01  5.6536200000e-01  1.4277660000e+00 -3.8616400000e-01  1.3237830000e+00  3.1649900000e-01 -1.3383470000e+00  9.3605900000e-01 -9.6233800000e-01  8.0100800000e-01 -6.6586300000e-01 -1.5491660000e+00  8.2182000000e-02 -4.3101200000e-01 -1.1745300000e-01  5.5360500000e-01 -2.9010700000e-01
-ENERGY -1.526576577671e+02
-FORCES -4.3809000000e-03 -2.2400000000e-04  2.3405000000e-03 -3.5081000000e-03 -1.1158000000e-03 -4.2545000000e-03  2.2307000000e-03  4.1078000000e-03 -2.1669000000e-03  1.0073100000e-02 -1.0393700000e-02  6.6855000000e-03  1.0059000000e-03  1.3154000000e-03 -3.5100000000e-05 -5.4207000000e-03  6.3103000000e-03 -2.5696000000e-03
-
-JOB 10
-COORDS  1.4700600000e-01  1.6846000000e-01 -1.3859940000e+00  1.0358100000e-01  1.4347200000e-01 -4.3010600000e-01 -7.2168900000e-01 -1.1288300000e-01 -1.6731290000e+00 -1.0604800000e-01 -1.4519500000e-01  1.2860860000e+00  5.4146400000e-01  2.7231100000e-01  1.8541070000e+00 -6.1919300000e-01 -6.9947700000e-01  1.8740370000e+00
-ENERGY -1.526593221252e+02
-FORCES -4.5484000000e-03 -3.0191000000e-03  1.4374500000e-02  3.0113000000e-03  3.1943000000e-03 -6.5694000000e-03  2.0641000000e-03  3.1120000000e-04  7.9800000000e-04  3.5100000000e-05 -1.2064000000e-03 -4.8945000000e-03 -3.7025000000e-03 -2.6895000000e-03 -2.6282000000e-03  3.1403000000e-03  3.4095000000e-03 -1.0804000000e-03
-
-JOB 11
-COORDS -1.9407700000e-01 -1.1563760000e+00 -6.1292200000e-01  3.8983500000e-01 -1.5293650000e+00 -1.2733450000e+00 -8.4183000000e-02 -1.7219260000e+00  1.5147800000e-01  2.1749400000e-01  1.2384190000e+00  6.1638300000e-01 -6.3816100000e-01  1.6201290000e+00  8.1230200000e-01  2.0838000000e-02  3.5340600000e-01  3.0928200000e-01
-ENERGY -1.526591680373e+02
-FORCES  4.6506000000e-03  2.0133000000e-03 -1.0343000000e-03 -3.3774000000e-03  2.5300000000e-05  3.9242000000e-03  3.7900000000e-05  6.3747000000e-03 -3.2066000000e-03 -4.1693000000e-03 -1.0921700000e-02 -8.3004000000e-03  2.1592000000e-03 -2.3431000000e-03 -7.2680000000e-04  6.9910000000e-04  4.8514000000e-03  9.3439000000e-03
-
-JOB 12
-COORDS  1.4097650000e+00  9.5854000000e-02 -6.6658000000e-02  1.5519790000e+00 -5.1544000000e-01  6.5606300000e-01  4.7514400000e-01  2.4762000000e-02 -2.6072700000e-01 -1.3375400000e+00 -1.0120100000e-01 -7.9990000000e-03 -1.7088430000e+00  7.5536300000e-01 -2.1934000000e-01 -1.4381300000e+00 -1.7890800000e-01  9.4072300000e-01
-ENERGY -1.526593862042e+02
-FORCES -1.4989300000e-02 -4.0530000000e-03  8.9740000000e-04 -9.6640000000e-04  2.0466000000e-03 -1.2065000000e-03  9.5728000000e-03  2.5737000000e-03 -2.4660000000e-04  2.0196000000e-03  3.6184000000e-03  4.1307000000e-03  2.9779000000e-03 -4.5516000000e-03  1.4258000000e-03  1.3854000000e-03  3.6590000000e-04 -5.0007000000e-03
-
-JOB 13
-COORDS  1.1203100000e+00 -4.4110500000e-01  7.5035600000e-01  3.0351000000e-01 -1.7253800000e-01  3.2971200000e-01  1.7626990000e+00 -4.5399600000e-01  4.0847000000e-02 -1.0560100000e+00  3.8953500000e-01 -6.5714100000e-01 -1.9521080000e+00  8.1791000000e-02 -7.9328100000e-01 -1.0627370000e+00  1.2940680000e+00 -9.7020000000e-01
-ENERGY -1.526605298826e+02
-FORCES -1.0363000000e-02  3.2696000000e-03 -9.2799000000e-03  7.0448000000e-03 -1.5857000000e-03  4.4065000000e-03 -1.7196000000e-03  6.8520000000e-04  1.7112000000e-03  1.9868000000e-03 -6.0180000000e-04  2.6752000000e-03  3.9419000000e-03  3.1740000000e-03 -3.3140000000e-04 -8.9090000000e-04 -4.9413000000e-03  8.1840000000e-04
-
-JOB 14
-COORDS -5.8003000000e-02  3.1810400000e-01  1.3809070000e+00  1.0378500000e-01 -1.2190500000e-01  5.4637200000e-01 -1.0117140000e+00  3.7012300000e-01  1.4438490000e+00  1.0707900000e-01 -3.4580900000e-01 -1.2911770000e+00  8.2327200000e-01  2.5182100000e-01 -1.5059710000e+00 -6.1366800000e-01 -6.9980000000e-02 -1.8574580000e+00
-ENERGY -1.526593827607e+02
-FORCES -3.2302000000e-03 -4.7740000000e-03 -1.3935000000e-02  3.2214000000e-03  2.7900000000e-03  8.2228000000e-03  2.2960000000e-03  2.8190000000e-04 -1.0870000000e-04 -1.9311000000e-03  5.9089000000e-03  1.5314000000e-03 -4.2245000000e-03 -3.2936000000e-03  2.0747000000e-03  3.8684000000e-03 -9.1300000000e-04  2.2148000000e-03
-
-JOB 15
-COORDS  3.7933800000e-01 -5.9878300000e-01  1.1239870000e+00  9.7929700000e-01 -1.3427240000e+00  1.0707700000e+00 -4.2437600000e-01 -9.6458900000e-01  1.4933950000e+00 -3.6494100000e-01  6.3119900000e-01 -1.2037040000e+00 -2.1009100000e-01  2.7449200000e-01 -3.2905300000e-01 -5.4053400000e-01  1.5605300000e+00 -1.0562460000e+00
-ENERGY -1.526605784606e+02
-FORCES  8.7560000000e-04 -2.9245000000e-03 -3.8887000000e-03 -3.8482000000e-03  2.9733000000e-03  1.7838000000e-03  3.9707000000e-03  2.6424000000e-03 -3.6282000000e-03  5.0183000000e-03 -4.1084000000e-03  1.2158400000e-02 -6.4953000000e-03  4.6320000000e-03 -7.4473000000e-03  4.7900000000e-04 -3.2148000000e-03  1.0221000000e-03
-
-JOB 16
-COORDS -7.8632800000e-01 -1.0951390000e+00  4.2395400000e-01 -1.6773150000e+00 -7.8051000000e-01  5.7687100000e-01 -3.0980300000e-01 -3.2508100000e-01  1.1384800000e-01  7.6563600000e-01  9.7886900000e-01 -3.8954300000e-01  1.6905940000e+00  1.1178600000e+00 -1.8615500000e-01  5.4821700000e-01  1.6769750000e+00 -1.0072870000e+00
-ENERGY -1.526603419948e+02
-FORCES  6.3928000000e-03  1.1321800000e-02 -3.4537000000e-03  2.8450000000e-03  2.7730000000e-04 -1.2309000000e-03 -5.9984000000e-03 -6.3378000000e-03  2.3954000000e-03 -7.9730000000e-04 -3.6771000000e-03  1.2446000000e-03 -4.3615000000e-03  1.2087000000e-03 -2.3686000000e-03  1.9194000000e-03 -2.7928000000e-03  3.4132000000e-03
-
-JOB 17
-COORDS  5.7839700000e-01  1.2517490000e+00  4.2295000000e-01  2.8383600000e-01  3.7419700000e-01  6.6660800000e-01  3.0290800000e-01  1.3530200000e+00 -4.8813800000e-01 -5.5927200000e-01 -1.1428330000e+00 -3.5604600000e-01  1.4081100000e-01 -1.3544690000e+00 -9.7356200000e-01 -1.0023560000e+00 -1.9769300000e+00 -2.0051000000e-01
-ENERGY -1.526586256000e+02
-FORCES -8.3926000000e-03 -9.9530000000e-03 -4.3400000000e-03  4.7899000000e-03  4.5666000000e-03  2.2316000000e-03  2.8410000000e-03  7.7960000000e-04  1.2634000000e-03  1.7901000000e-03 -1.0833000000e-03 -1.4104000000e-03 -3.8862000000e-03  1.7678000000e-03  3.3212000000e-03  2.8578000000e-03  3.9223000000e-03 -1.0659000000e-03
-
-JOB 18
-COORDS  3.2881700000e-01  1.3718020000e+00 -5.8395000000e-02 -3.0445000000e-02  4.9042300000e-01  4.3260000000e-02  1.9248200000e-01  1.7862700000e+00  7.9357900000e-01 -2.6556000000e-01 -1.2931410000e+00 -1.5752000000e-02  4.6231000000e-02 -2.0973770000e+00  3.9924500000e-01 -1.2134270000e+00 -1.4090240000e+00 -8.1720000000e-02
-ENERGY -1.526591509840e+02
-FORCES -1.6161000000e-03 -1.2278600000e-02  2.6039000000e-03 -2.8497000000e-03  9.2532000000e-03 -9.1740000000e-04 -1.9100000000e-05 -2.3900000000e-03 -2.2431000000e-03  2.3636000000e-03  4.7920000000e-04  1.4503000000e-03 -3.3502000000e-03  2.7828000000e-03 -2.3950000000e-03  5.4716000000e-03  2.1534000000e-03  1.5013000000e-03
-
-JOB 19
-COORDS  5.4603800000e-01  1.0195610000e+00 -8.4627200000e-01  1.6025800000e-01  6.0105000000e-01 -7.6691000000e-02  6.8200000000e-02  6.4663600000e-01 -1.5871020000e+00 -5.0453200000e-01 -9.1140200000e-01  8.7319200000e-01 -1.1813030000e+00 -1.5349880000e+00  6.0984400000e-01  3.1856000000e-01 -1.3295810000e+00  6.2045400000e-01
-ENERGY -1.526587775219e+02
-FORCES -9.4341000000e-03 -7.9359000000e-03  5.7834000000e-03  7.5894000000e-03  2.8876000000e-03 -3.5737000000e-03  2.0673000000e-03  6.9190000000e-04  1.3815000000e-03  7.2680000000e-04 -2.3409000000e-03 -4.3090000000e-03  4.1267000000e-03  2.3063000000e-03  6.3890000000e-04 -5.0761000000e-03  4.3910000000e-03  7.8900000000e-05
-
-JOB 20
-COORDS -8.6108700000e-01  8.4688200000e-01  5.6605000000e-01 -3.6595100000e-01  1.4881470000e+00  5.6293000000e-02 -1.1518040000e+00  1.3286670000e+00  1.3403870000e+00  8.2389100000e-01 -9.6020700000e-01 -6.2602500000e-01  1.6882740000e+00 -5.5419100000e-01 -6.9102000000e-01  4.3158200000e-01 -5.6606900000e-01  1.5306500000e-01
-ENERGY -1.526580466513e+02
-FORCES  7.7450000000e-04  2.8595000000e-03 -2.9471000000e-03 -9.1780000000e-04 -3.4824000000e-03  4.5777000000e-03  2.1846000000e-03 -2.1112000000e-03 -4.3294000000e-03 -4.8966000000e-03  5.5920000000e-03  7.0950000000e-03 -3.9923000000e-03  4.8820000000e-04  3.0960000000e-04  6.8476000000e-03 -3.3462000000e-03 -4.7057000000e-03
-
-JOB 21
-COORDS -5.4023000000e-01 -6.5996000000e-02  1.3209200000e+00 -1.1761200000e-01  2.3203000000e-02  4.6671300000e-01 -1.2293290000e+00 -7.1547500000e-01  1.1810910000e+00  4.9851300000e-01  9.2070000000e-02 -1.2262660000e+00  9.7277700000e-01  9.0511800000e-01 -1.4002140000e+00  1.0286860000e+00 -5.8846100000e-01 -1.6410260000e+00
-ENERGY -1.526609724597e+02
-FORCES  3.1238000000e-03 -1.1599000000e-03 -1.4059900000e-02 -2.7946000000e-03  1.3313000000e-03  9.1700000000e-03  2.1172000000e-03  1.2414000000e-03  3.2470000000e-04  1.8739000000e-03 -6.0190000000e-04  2.0585000000e-03 -1.9021000000e-03 -4.9878000000e-03  1.2056000000e-03 -2.4181000000e-03  4.1769000000e-03  1.3010000000e-03
-
-JOB 22
-COORDS  1.1975500000e+00  7.2521600000e-01 -2.6710100000e-01  2.5128100000e-01  5.9702300000e-01 -2.0097200000e-01  1.5220300000e+00  5.8050300000e-01  6.2172000000e-01 -1.1487910000e+00 -6.5098700000e-01  1.7450500000e-01 -1.4541520000e+00 -1.4976440000e+00 -1.5131500000e-01 -1.0936880000e+00 -7.6467800000e-01  1.1233300000e+00
-ENERGY -1.526569986863e+02
-FORCES -1.0667800000e-02 -7.6545000000e-03  3.3124000000e-03  5.5127000000e-03  5.8549000000e-03  1.2289000000e-03 -1.3570000000e-03  1.9460000000e-04 -2.0151000000e-03  4.7127000000e-03 -3.0159000000e-03 -1.0027000000e-03  6.7800000000e-04  3.2985000000e-03  3.1891000000e-03  1.1214000000e-03  1.3224000000e-03 -4.7126000000e-03
-
-JOB 23
-COORDS  1.7938200000e-01  4.0553200000e-01 -1.3642510000e+00  3.5550700000e-01  3.4004500000e-01 -4.2567600000e-01  2.2446000000e-02 -4.9678400000e-01 -1.6425090000e+00 -1.3289700000e-01 -3.1613800000e-01  1.2987130000e+00 -9.3007900000e-01  3.8454000000e-02  1.6924080000e+00 -2.0818200000e-01 -1.2631680000e+00  1.4157510000e+00
-ENERGY -1.526590102304e+02
-FORCES -1.7732000000e-03 -6.4429000000e-03  1.2876700000e-02  2.1581000000e-03  3.3349000000e-03 -7.5133000000e-03  3.4730000000e-04  2.0312000000e-03  1.4820000000e-04 -4.2224000000e-03 -6.8210000000e-04 -3.2180000000e-03  3.8524000000e-03 -2.7489000000e-03 -1.2516000000e-03 -3.6220000000e-04  4.5079000000e-03 -1.0419000000e-03
-
-JOB 24
-COORDS -5.1930000000e-03 -8.9150900000e-01 -1.1080480000e+00  9.0323400000e-01 -9.4025000000e-01 -1.4057330000e+00  2.5248000000e-02 -3.2650200000e-01 -3.3599100000e-01 -8.7601000000e-02  8.8596300000e-01  1.0407560000e+00 -2.4742900000e-01  2.8225300000e-01  1.7661670000e+00  8.4455400000e-01  1.0944160000e+00  1.1029470000e+00
-ENERGY -1.526588819112e+02
-FORCES  5.4030000000e-04  9.6883000000e-03  9.1244000000e-03 -2.4053000000e-03  1.2939000000e-03  2.4277000000e-03  3.3121000000e-03 -9.1250000000e-03 -6.2790000000e-03  1.7243000000e-03 -4.9180000000e-04  2.9806000000e-03  1.8396000000e-03  2.3053000000e-03 -5.8894000000e-03 -5.0111000000e-03 -3.6707000000e-03 -2.3643000000e-03
-
-JOB 25
-COORDS  1.2319000000e-01 -6.3389500000e-01 -1.2206090000e+00  1.5655300000e-01  1.6860100000e-01 -1.7412990000e+00 -7.9862800000e-01 -8.9132300000e-01 -1.2352510000e+00 -5.5681000000e-02  5.9992600000e-01  1.3230610000e+00  4.0324000000e-02 -5.5802000000e-02  6.3238400000e-01 -4.3921300000e-01  1.3582040000e+00  8.8243700000e-01
-ENERGY -1.526580262814e+02
-FORCES -2.3443000000e-03  3.9212000000e-03 -2.4577000000e-03 -1.3055000000e-03 -3.6866000000e-03  3.5190000000e-03  5.2938000000e-03  3.0292000000e-03  2.7425000000e-03  1.4482000000e-03 -3.9117000000e-03 -1.2886500000e-02 -3.8376000000e-03  2.5495000000e-03  8.2471000000e-03  7.4540000000e-04 -1.9016000000e-03  8.3560000000e-04
-
-JOB 26
-COORDS  1.8096000000e-01 -1.3013470000e+00  1.9831000000e-01 -4.4308900000e-01 -1.6779180000e+00  8.1878500000e-01  9.6686200000e-01 -1.8397290000e+00  2.9176500000e-01 -2.4698000000e-01  1.4002240000e+00 -2.3837000000e-01  6.6188500000e-01  1.6446710000e+00 -4.1284900000e-01 -2.2002300000e-01  4.5209100000e-01 -1.0972100000e-01
-ENERGY -1.526599024163e+02
-FORCES  1.6981000000e-03  2.1554000000e-03  1.3980000000e-03  3.6578000000e-03  2.1563000000e-03 -3.2238000000e-03 -4.3581000000e-03  1.4065000000e-03  4.3040000000e-04  5.8408000000e-03 -1.2757200000e-02  1.1541000000e-03 -2.1455000000e-03 -2.2480000000e-04  3.5020000000e-04 -4.6929000000e-03  7.2639000000e-03 -1.0880000000e-04
-
-JOB 27
-COORDS  8.1039400000e-01 -9.2022500000e-01 -5.0575400000e-01  4.7262100000e-01 -1.6870270000e+00 -9.6852300000e-01  1.7596610000e+00 -9.7127400000e-01 -6.1763900000e-01 -8.7435600000e-01  9.7398400000e-01  6.0153800000e-01 -8.8211800000e-01  1.6055080000e+00 -1.1773200000e-01 -3.6424800000e-01  2.3610300000e-01  2.6754200000e-01
-ENERGY -1.526606923155e+02
-FORCES  5.0080000000e-04  1.6668000000e-03  1.1400000000e-03  2.4535000000e-03  3.9598000000e-03  2.0255000000e-03 -4.6237000000e-03 -1.4221000000e-03 -1.0160000000e-03  8.5312000000e-03 -6.8946000000e-03 -7.1305000000e-03 -2.3600000000e-05 -1.5035000000e-03  1.8993000000e-03 -6.8382000000e-03  4.1935000000e-03  3.0817000000e-03
-
-JOB 28
-COORDS -1.0845540000e+00 -2.9951000000e-02  9.2202400000e-01 -1.1608860000e+00  8.0446400000e-01  1.3847970000e+00 -6.4926300000e-01  1.9118600000e-01  9.8706000000e-02  1.0284480000e+00  8.5870000000e-03 -9.3783900000e-01  1.5767890000e+00  2.2068700000e-01 -1.8247900000e-01  1.0845300000e+00 -9.4382900000e-01 -1.0152330000e+00
-ENERGY -1.526600917697e+02
-FORCES  6.1364000000e-03  3.3865000000e-03 -8.2660000000e-03  1.9313000000e-03 -2.6140000000e-03 -2.0026000000e-03 -6.3160000000e-03 -7.0800000000e-04  7.7950000000e-03  2.3313000000e-03 -5.0028000000e-03  5.8188000000e-03 -3.4957000000e-03 -1.3390000000e-04 -3.7219000000e-03 -5.8740000000e-04  5.0722000000e-03  3.7670000000e-04
-
-JOB 29
-COORDS  2.0715500000e-01 -5.3219300000e-01 -1.3258060000e+00 -1.1765600000e-01 -1.9508000000e-01 -4.9089100000e-01  8.5658800000e-01 -1.1917520000e+00 -1.0819820000e+00 -2.5522200000e-01  5.3551600000e-01  1.2094080000e+00  3.7460500000e-01  1.2281380000e+00  1.4089680000e+00 -3.2413200000e-01  3.2685000000e-02  2.0209770000e+00
-ENERGY -1.526606963186e+02
-FORCES -8.4410000000e-04  2.7615000000e-03  1.3008300000e-02  1.0522000000e-03 -2.9502000000e-03 -8.8646000000e-03 -1.5837000000e-03  1.6771000000e-03 -5.9020000000e-04  2.9957000000e-03 -2.4210000000e-04 -1.1990000000e-04 -3.1161000000e-03 -4.0986000000e-03  2.8230000000e-04  1.4961000000e-03  2.8524000000e-03 -3.7159000000e-03
-
-JOB 30
-COORDS -7.0351800000e-01  8.6876900000e-01  8.9050500000e-01 -8.9951100000e-01  4.0943000000e-01  1.7071000000e+00 -3.5835100000e-01  1.9017700000e-01  3.1032900000e-01  6.3506400000e-01 -8.2379400000e-01 -9.0540900000e-01  1.3424110000e+00 -1.1052650000e+00 -3.2518000000e-01  1.0367930000e+00 -1.6446800000e-01 -1.4712140000e+00
-ENERGY -1.526608364332e+02
-FORCES  3.6804000000e-03 -9.4870000000e-03 -7.0049000000e-03  1.8367000000e-03  3.1790000000e-04 -3.0163000000e-03 -3.1672000000e-03  7.1801000000e-03  8.4162000000e-03  4.6581000000e-03  3.2237000000e-03 -3.1990000000e-04 -4.9458000000e-03  2.3946000000e-03 -1.8472000000e-03 -2.0622000000e-03 -3.6293000000e-03  3.7722000000e-03
-
-JOB 31
-COORDS -3.1292900000e-01 -6.7818000000e-02  1.3168430000e+00  2.0445700000e-01 -8.7312300000e-01  1.3221380000e+00 -1.0824900000e-01  3.5442200000e-01  2.1511400000e+00  2.9509100000e-01  3.6503000000e-02 -1.4029830000e+00  1.0851000000e-01  9.3437700000e-01 -1.6772880000e+00  5.7099000000e-02  1.4369000000e-02 -4.7610500000e-01
-ENERGY -1.526593078422e+02
-FORCES  3.5149000000e-03  7.7230000000e-04  9.2020000000e-04 -2.5437000000e-03  6.2710000000e-03 -2.9685000000e-03 -9.8810000000e-04 -3.3323000000e-03 -3.1382000000e-03 -4.4125000000e-03  4.7375000000e-03  1.0861900000e-02  7.2090000000e-04 -2.3016000000e-03  5.9630000000e-04  3.7086000000e-03 -6.1469000000e-03 -6.2717000000e-03
-
-JOB 32
-COORDS -2.4159000000e-01 -1.2289260000e+00  7.1473200000e-01  5.4989000000e-02 -3.8640200000e-01  3.7060200000e-01 -1.0366840000e+00 -1.0212150000e+00  1.2055620000e+00  2.7946800000e-01  1.0962700000e+00 -7.1286900000e-01 -5.2117600000e-01  1.6093030000e+00 -6.0333500000e-01  9.3906000000e-01  1.7354240000e+00 -9.8241300000e-01
-ENERGY -1.526593165662e+02
-FORCES  1.9934000000e-03  1.0136100000e-02 -4.9354000000e-03 -4.1762000000e-03 -6.5293000000e-03  5.5823000000e-03  2.1865000000e-03  6.5510000000e-04 -2.2869000000e-03  7.6300000000e-05  7.3930000000e-04  1.7060000000e-04  4.3996000000e-03 -2.9431000000e-03  7.4770000000e-04 -4.4798000000e-03 -2.0582000000e-03  7.2180000000e-04
-
-JOB 33
-COORDS -6.4577600000e-01  1.2097960000e+00  8.0915000000e-02 -1.5012480000e+00  8.1731600000e-01 -9.3321000000e-02 -7.0357900000e-01  1.5198800000e+00  9.8465100000e-01  7.6328700000e-01 -1.2103520000e+00 -1.2186600000e-01  1.1508100000e-01 -1.8939660000e+00 -2.9137400000e-01  2.4534700000e-01 -4.1702100000e-01  1.4504000000e-02
-ENERGY -1.526590342618e+02
-FORCES -2.6171000000e-03  9.8930000000e-04  2.4300000000e-03  6.6531000000e-03 -9.3820000000e-04  1.6433000000e-03  1.0000000000e-07 -2.7475000000e-03 -5.0790000000e-03 -6.6317000000e-03  1.0394100000e-02  2.3420000000e-04  6.3670000000e-04  3.6223000000e-03  6.6520000000e-04  1.9589000000e-03 -1.1320000000e-02  1.0620000000e-04
-
-JOB 34
-COORDS  1.4144000000e-01  8.7376100000e-01 -1.0973260000e+00 -4.4381000000e-01  5.4143900000e-01 -4.1668100000e-01 -4.4069200000e-01  1.2950680000e+00 -1.7296660000e+00 -7.5406000000e-02 -8.3083100000e-01  1.0440200000e+00 -6.4078800000e-01 -8.4060000000e-01  1.8163410000e+00  4.4489300000e-01 -1.6309210000e+00  1.1173510000e+00
-ENERGY -1.526576436838e+02
-FORCES -2.4765000000e-03 -4.8956000000e-03  6.0712000000e-03 -1.5483000000e-03  6.4205000000e-03 -5.7740000000e-03  1.1771000000e-03 -2.4106000000e-03  3.5182000000e-03  3.8490000000e-03 -2.8591000000e-03 -8.7220000000e-04  2.0240000000e-03  7.7940000000e-04 -4.6177000000e-03 -3.0255000000e-03  2.9655000000e-03  1.6745000000e-03
-
-JOB 35
-COORDS  1.6181600000e-01  1.3883320000e+00 -3.1826100000e-01 -5.1601000000e-02  5.3738400000e-01  6.4588000000e-02  1.0126400000e-01  2.0026180000e+00  4.1332500000e-01 -8.7380000000e-02 -1.3348860000e+00  2.5216800000e-01 -6.1513100000e-01 -1.6307690000e+00 -4.8956100000e-01 -5.1576900000e-01 -1.7159160000e+00  1.0186740000e+00
-ENERGY -1.526606185271e+02
-FORCES -2.7220000000e-04 -1.0324900000e-02  4.8964000000e-03 -1.3101000000e-03  1.0819100000e-02 -2.6544000000e-03 -1.5840000000e-04 -3.2144000000e-03 -1.3772000000e-03 -2.2666000000e-03 -2.0813000000e-03 -1.6850000000e-03  2.2681000000e-03  2.0885000000e-03  4.9043000000e-03  1.7392000000e-03  2.7130000000e-03 -4.0841000000e-03
-
-JOB 36
-COORDS -3.4781000000e-02  3.7313500000e-01  1.4162680000e+00  1.4630200000e-01  2.5886500000e-01  4.8332500000e-01 -6.4920200000e-01 -3.2925400000e-01  1.6292680000e+00  5.4430000000e-02 -3.8362800000e-01 -1.3339740000e+00  7.7477400000e-01 -1.0965400000e-01 -1.9016660000e+00 -5.6477800000e-01  3.4573400000e-01 -1.3630380000e+00
-ENERGY -1.526588490389e+02
-FORCES  7.7370000000e-04 -7.9830000000e-03 -9.7059000000e-03 -3.5634000000e-03  7.3684000000e-03  5.3143000000e-03  1.1446000000e-03  2.8664000000e-03 -2.5730000000e-04  1.6920000000e-04  2.2403000000e-03 -3.5166000000e-03 -4.0845000000e-03 -6.4330000000e-04  3.5234000000e-03  5.5603000000e-03 -3.8488000000e-03  4.6421000000e-03
-
-JOB 37
-COORDS -9.2398900000e-01 -1.1183840000e+00 -1.5229700000e-01 -3.3170400000e-01 -3.6651800000e-01 -1.6361000000e-01 -4.2199700000e-01 -1.8129410000e+00  2.7411400000e-01  8.1042400000e-01  1.0918500000e+00  8.4453000000e-02  7.5051300000e-01  1.2820040000e+00  1.0206600000e+00  1.7199920000e+00  1.2857470000e+00 -1.4209200000e-01
-ENERGY -1.526608627138e+02
-FORCES  9.3992000000e-03  7.0861000000e-03  4.1680000000e-04 -7.0308000000e-03 -6.8151000000e-03  1.5550000000e-03 -1.2338000000e-03  2.3051000000e-03 -7.8250000000e-04  1.9613000000e-03 -2.0250000000e-04  1.2412000000e-03  1.0111000000e-03 -2.0266000000e-03 -5.0624000000e-03 -4.1071000000e-03 -3.4700000000e-04  2.6319000000e-03
-
-JOB 38
-COORDS  4.1134900000e-01 -1.2653910000e+00 -3.5789700000e-01  1.3657720000e+00 -1.2993790000e+00 -2.9345600000e-01  1.0813700000e-01 -1.9938770000e+00  1.8395400000e-01 -4.3473000000e-01  1.3680820000e+00  3.1998000000e-01  6.1276000000e-02  6.4173400000e-01 -5.7681000000e-02 -1.1655960000e+00  9.4900900000e-01  7.7434200000e-01
-ENERGY -1.526589867073e+02
-FORCES  1.0780000000e-04 -1.8839000000e-03  3.9329000000e-03 -5.4891000000e-03  1.7657000000e-03  1.8910000000e-04  1.9475000000e-03  3.1762000000e-03 -2.6595000000e-03  3.3370000000e-04 -1.3558100000e-02 -2.0737000000e-03  1.9425000000e-03  8.3779000000e-03  8.5100000000e-04  1.1576000000e-03  2.1222000000e-03 -2.3970000000e-04
-
-JOB 39
-COORDS -9.3976900000e-01 -8.2954700000e-01  7.2590400000e-01 -1.7082800000e+00 -3.4389300000e-01  1.0255080000e+00 -3.5128400000e-01 -1.5825300000e-01  3.8053300000e-01  9.0486800000e-01  7.2070100000e-01 -7.3251000000e-01  1.6753070000e+00  6.4921200000e-01 -1.6899800000e-01  9.9131700000e-01  1.5778990000e+00 -1.1496070000e+00
-ENERGY -1.526599740890e+02
-FORCES  4.0392000000e-03  7.9710000000e-03 -6.0767000000e-03  2.6658000000e-03 -8.1350000000e-04 -1.3419000000e-03 -3.1943000000e-03 -5.6954000000e-03  7.9092000000e-03  1.5790000000e-03  1.9902000000e-03 -7.4880000000e-04 -5.8137000000e-03  6.8040000000e-04 -1.9862000000e-03  7.2410000000e-04 -4.1326000000e-03  2.2445000000e-03
-
-JOB 40
-COORDS  3.6996000000e-01  9.2573900000e-01 -9.8348500000e-01  6.5958000000e-01  1.6614890000e+00 -4.4401800000e-01 -4.9972600000e-01  1.1813240000e+00 -1.2909810000e+00 -3.5537500000e-01 -1.0564850000e+00  9.7666500000e-01 -4.7252000000e-02 -4.3781000000e-01  1.6388840000e+00 -4.1071000000e-01 -5.3978800000e-01  1.7280300000e-01
-ENERGY -1.526570879522e+02
-FORCES  3.6540000000e-04  4.5730000000e-03  1.6670000000e-03 -2.1409000000e-03 -4.0003000000e-03 -2.0958000000e-03  3.9027000000e-03 -3.9864000000e-03  4.1747000000e-03  5.5448000000e-03  9.7232000000e-03 -6.6024000000e-03 -1.1478000000e-03 -1.7105000000e-03 -9.9600000000e-04 -6.5242000000e-03 -4.5989000000e-03  3.8525000000e-03
-
-JOB 41
-COORDS  1.0966100000e+00 -6.1097700000e-01  5.3963800000e-01  1.4295160000e+00 -1.5010890000e+00  4.2515500000e-01  1.8793510000e+00 -6.0025000000e-02  5.3863700000e-01 -1.2216500000e+00  5.9731700000e-01 -5.4090900000e-01 -1.0331470000e+00  1.5285550000e+00 -6.5707000000e-01 -3.8007300000e-01  2.1039700000e-01 -2.9951300000e-01
-ENERGY -1.526604659840e+02
-FORCES  1.7394000000e-03 -1.8291000000e-03 -7.0400000000e-04 -3.1420000000e-04  4.8562000000e-03  1.0152000000e-03 -4.2999000000e-03 -2.6304000000e-03 -7.1070000000e-04  9.5941000000e-03 -3.2375000000e-03  4.3396000000e-03  6.2860000000e-04 -2.9777000000e-03  6.9330000000e-04 -7.3480000000e-03  5.8184000000e-03 -4.6334000000e-03
-
-JOB 42
-COORDS -1.0878410000e+00  8.2088700000e-01  2.0728900000e-01 -2.0114700000e+00  9.0348400000e-01  4.4460600000e-01 -1.0036340000e+00  1.3184050000e+00 -6.0611000000e-01  1.1673370000e+00 -8.9187800000e-01 -1.3281100000e-01  1.3942600000e+00 -6.8802400000e-01 -1.0401040000e+00  3.5396100000e-01 -4.1244800000e-01  2.4664000000e-02
-ENERGY -1.526596408584e+02
-FORCES -2.7178000000e-03  5.9660000000e-04 -7.3090000000e-04  4.1842000000e-03  1.1682000000e-03 -2.1134000000e-03  1.5380000000e-04 -3.9793000000e-03  3.6324000000e-03 -8.3498000000e-03  5.7023000000e-03  1.4970000000e-04 -1.4340000000e-03  3.8580000000e-04  2.6560000000e-03  8.1635000000e-03 -3.8735000000e-03 -3.5938000000e-03
-
-JOB 43
-COORDS -1.3604300000e-01 -6.7666600000e-01 -1.2954720000e+00  9.0460000000e-03 -2.2834500000e-01 -4.6229200000e-01  6.1447300000e-01 -4.2865100000e-01 -1.8353290000e+00  9.6316000000e-02  6.6503500000e-01  1.2207910000e+00  4.9973500000e-01  8.1279100000e-01  2.0761580000e+00 -5.6521500000e-01 -8.0910000000e-03  1.3805070000e+00
-ENERGY -1.526586099285e+02
-FORCES  5.6591000000e-03  6.8324000000e-03  5.2373000000e-03 -6.4764000000e-03 -6.2191000000e-03 -2.0821000000e-03 -2.1978000000e-03 -1.0396000000e-03  1.2472000000e-03  4.0300000000e-04 -1.7644000000e-03  3.7483000000e-03 -3.1409000000e-03 -6.6330000000e-04 -3.1861000000e-03  5.7530000000e-03  2.8540000000e-03 -4.9647000000e-03
-
-JOB 44
-COORDS -5.2688700000e-01  2.1015400000e-01 -1.3399130000e+00 -1.9494400000e-01 -2.0092600000e-01 -5.4175300000e-01 -6.5639300000e-01 -5.1723400000e-01 -1.9484900000e+00  5.4805900000e-01 -1.6276000000e-01  1.2766190000e+00  7.6874800000e-01  5.9585300000e-01  1.8170210000e+00 -2.3102500000e-01 -5.3392700000e-01  1.6907390000e+00
-ENERGY -1.526597640072e+02
-FORCES  5.0949000000e-03 -2.4300000000e-03  6.8171000000e-03 -6.9071000000e-03 -1.8809000000e-03 -7.9245000000e-03  7.4150000000e-04  1.6720000000e-03  3.5998000000e-03 -1.0900000000e-03  5.4058000000e-03  2.7656000000e-03 -1.2708000000e-03 -4.4906000000e-03 -7.4910000000e-04  3.4315000000e-03  1.7237000000e-03 -4.5089000000e-03
-
-JOB 45
-COORDS  8.5673600000e-01 -1.0137540000e+00 -3.9022100000e-01  5.0339600000e-01 -1.8835510000e+00 -5.7686200000e-01  1.6001800000e+00 -1.1762520000e+00  1.9039700000e-01 -8.7711500000e-01  1.1425370000e+00  3.5683600000e-01 -2.4933900000e-01  4.6543500000e-01  1.0452500000e-01 -1.5833430000e+00  6.6488400000e-01  7.9194600000e-01
-ENERGY -1.526611626838e+02
-FORCES  3.3560000000e-04 -3.0218000000e-03  1.1500000000e-03  2.3123000000e-03  3.8442000000e-03  1.7791000000e-03 -4.2997000000e-03  1.8750000000e-04 -2.8359000000e-03  4.9497000000e-03 -1.0150200000e-02 -2.1576000000e-03 -5.2454000000e-03  8.0907000000e-03  3.3810000000e-03  1.9474000000e-03  1.0495000000e-03 -1.3167000000e-03
-
-JOB 46
-COORDS  5.2595400000e-01  9.6028300000e-01  8.5333700000e-01  8.6327700000e-01  1.6341820000e+00  2.6316300000e-01  3.4401100000e-01  1.4255370000e+00  1.6698340000e+00 -5.9114500000e-01 -1.0445870000e+00 -8.9944300000e-01  2.5380400000e-01 -1.4900180000e+00 -8.3711600000e-01 -4.8440900000e-01 -2.5266500000e-01 -3.7247100000e-01
-ENERGY -1.526606208903e+02
-FORCES  4.0950000000e-04  3.2466000000e-03  1.9534000000e-03 -2.5815000000e-03 -3.9806000000e-03  2.7884000000e-03  1.6869000000e-03 -1.3633000000e-03 -4.2921000000e-03  6.1411000000e-03  5.1891000000e-03  8.2862000000e-03 -2.4616000000e-03  5.5030000000e-04 -1.4623000000e-03 -3.1943000000e-03 -3.6420000000e-03 -7.2736000000e-03
-
-JOB 47
-COORDS -1.2488830000e+00 -3.7485200000e-01  4.9432900000e-01 -1.2409050000e+00 -3.3217900000e-01  1.4505440000e+00 -2.0387480000e+00  1.0196900000e-01  2.3940500000e-01  1.3527110000e+00  3.2238800000e-01 -5.0723000000e-01  4.5175300000e-01  1.9116100000e-01 -2.1179000000e-01  1.2699490000e+00  8.4436500000e-01 -1.3053050000e+00
-ENERGY -1.526612525523e+02
-FORCES -2.6051000000e-03  1.1461000000e-03  3.0213000000e-03 -4.4860000000e-04  4.0530000000e-04 -5.3110000000e-03  4.2403000000e-03 -1.9997000000e-03  1.5102000000e-03 -1.0439500000e-02 -1.8215000000e-03  1.1502000000e-03  9.9750000000e-03  3.7544000000e-03 -2.9070000000e-03 -7.2220000000e-04 -1.4845000000e-03  2.5362000000e-03
-
-JOB 48
-COORDS  1.1056900000e+00 -1.0052020000e+00  5.7530000000e-03  4.7798100000e-01 -2.8358000000e-01  4.4147000000e-02  5.7362800000e-01 -1.7924930000e+00  1.2113800000e-01 -9.8314200000e-01  1.0018180000e+00  1.9796000000e-02 -1.0960450000e+00  1.3802670000e+00 -8.5213400000e-01 -1.8596280000e+00  7.0945500000e-01  2.6985100000e-01
-ENERGY -1.526610960992e+02
-FORCES -9.6533000000e-03  5.7051000000e-03  1.0732000000e-03  7.8024000000e-03 -6.7474000000e-03 -1.0715000000e-03  1.2334000000e-03  2.2219000000e-03 -3.0920000000e-04 -3.6676000000e-03  1.7400000000e-05 -2.3092000000e-03  9.1100000000e-05 -2.4346000000e-03  4.6074000000e-03  4.1941000000e-03  1.2375000000e-03 -1.9907000000e-03
-
-JOB 49
-COORDS  5.3543800000e-01  1.1745680000e+00  7.4687600000e-01  1.4828070000e+00  1.0442740000e+00  7.8866400000e-01  1.9018900000e-01  3.3234800000e-01  4.5073500000e-01 -5.1492500000e-01 -1.0860960000e+00 -7.0959000000e-01 -9.9450000000e-01 -1.8009010000e+00 -2.9090900000e-01 -1.0047880000e+00 -9.0606100000e-01 -1.5119940000e+00
-ENERGY -1.526615496325e+02
-FORCES -9.4150000000e-04 -8.6968000000e-03 -5.2640000000e-03 -2.9072000000e-03  1.1240000000e-04 -1.8070000000e-04  3.5104000000e-03  6.9527000000e-03  6.6283000000e-03 -3.5764000000e-03  3.0150000000e-04 -2.9236000000e-03  2.2150000000e-03  3.9015000000e-03 -2.0500000000e-03  1.6998000000e-03 -2.5713000000e-03  3.7900000000e-03
-
-JOB 50
-COORDS  3.0458700000e-01  1.3608840000e+00 -5.4969200000e-01  8.5305000000e-02  4.5040100000e-01 -3.5178300000e-01  8.1571400000e-01  1.6540540000e+00  2.0465000000e-01 -2.7325900000e-01 -1.2897300000e+00  4.6668000000e-01 -9.7208200000e-01 -1.0048750000e+00  1.0555230000e+00 -3.9997000000e-01 -2.2348430000e+00  3.8339100000e-01
-ENERGY -1.526606436518e+02
-FORCES  1.5494000000e-03 -8.8235000000e-03  3.8992000000e-03 -9.4700000000e-04  9.2019000000e-03 -5.5420000000e-04 -2.1834000000e-03 -5.7000000000e-04 -1.9247000000e-03 -2.1769000000e-03 -3.2209000000e-03  2.2740000000e-04  4.1618000000e-03 -7.8890000000e-04 -3.6526000000e-03 -4.0400000000e-04  4.2016000000e-03  2.0049000000e-03
-
-JOB 51
-COORDS  3.7459900000e-01  5.3471700000e-01  1.3358740000e+00  8.7804000000e-02  1.9663200000e-01  4.8753600000e-01  7.1309700000e-01 -2.3223100000e-01  1.7978710000e+00 -3.1013800000e-01 -4.7116200000e-01 -1.3016970000e+00 -9.2961100000e-01  2.2183200000e-01 -1.5302660000e+00 -8.2805600000e-01 -1.2755750000e+00 -1.3318930000e+00
-ENERGY -1.526608061938e+02
-FORCES -1.9000000000e-04 -6.9312000000e-03 -8.9960000000e-03 -3.3300000000e-04  5.6020000000e-03  9.1412000000e-03 -1.3792000000e-03  1.9584000000e-03 -1.3294000000e-03 -4.2164000000e-03 -1.0575000000e-03 -2.7549000000e-03  3.5603000000e-03 -3.9494000000e-03  3.3482000000e-03  2.5583000000e-03  4.3778000000e-03  5.9090000000e-04
-
-JOB 52
-COORDS  1.3922130000e+00  4.4837400000e-01  2.2123700000e-01  1.5222130000e+00  1.2380870000e+00  7.4629500000e-01  4.5137000000e-01  2.7932700000e-01  2.7093100000e-01 -1.3001280000e+00 -4.4795300000e-01 -2.9770100000e-01 -1.2581810000e+00 -1.3803270000e+00 -8.5215000000e-02 -2.0657860000e+00 -1.2738500000e-01  1.7899200000e-01
-ENERGY -1.526606219208e+02
-FORCES -9.3461000000e-03 -2.8270000000e-04 -1.0557000000e-03 -1.7836000000e-03 -2.5850000000e-03 -1.5659000000e-03  1.0122600000e-02  2.5454000000e-03  4.0916000000e-03 -3.3490000000e-03 -3.7744000000e-03  4.9910000000e-04 -3.0400000000e-04  5.5606000000e-03 -2.6170000000e-04  4.6599000000e-03 -1.4640000000e-03 -1.7074000000e-03
-
-JOB 53
-COORDS -7.7199100000e-01  1.1223710000e+00  3.6174900000e-01 -9.1951600000e-01  1.3170510000e+00  1.2872580000e+00 -1.6324660000e+00  1.2241240000e+00 -4.5019000000e-02  8.8613300000e-01 -1.1300510000e+00 -4.3589800000e-01  6.5757100000e-01 -1.9355860000e+00  2.7895000000e-02  2.1601500000e-01 -5.0092300000e-01 -1.6874300000e-01
-ENERGY -1.526610638301e+02
-FORCES -2.8328000000e-03  2.6381000000e-03  2.3423000000e-03 -2.6180000000e-04 -1.1225000000e-03 -4.7748000000e-03  4.2577000000e-03 -1.1309000000e-03  2.7086000000e-03 -6.1816000000e-03  5.7786000000e-03  3.9370000000e-03  1.1130000000e-04  3.1001000000e-03 -9.5730000000e-04  4.9071000000e-03 -9.2634000000e-03 -3.2558000000e-03
-
-JOB 54
-COORDS -5.0007800000e-01  1.2918710000e+00  2.7438800000e-01 -5.3796100000e-01  1.9767850000e+00  9.4198800000e-01 -4.5188300000e-01  1.7674670000e+00 -5.5490000000e-01  5.1463900000e-01 -1.4008090000e+00 -2.1636600000e-01  7.6517800000e-01 -1.4400290000e+00 -1.1393630000e+00 -2.8250000000e-03 -5.9897600000e-01 -1.4201800000e-01
-ENERGY -1.526593850358e+02
-FORCES  1.4128000000e-03  3.5459000000e-03  2.1726000000e-03 -1.0360000000e-04 -1.5158000000e-03 -4.2213000000e-03  4.1000000000e-05 -3.2543000000e-03  3.6542000000e-03 -2.7116000000e-03  8.1308000000e-03  1.3180000000e-04 -1.1010000000e-03  1.1550000000e-03  2.8028000000e-03  2.4623000000e-03 -8.0616000000e-03 -4.5402000000e-03
-
-JOB 55
-COORDS -1.1861000000e-01 -1.2993830000e+00  5.6267900000e-01  5.7079000000e-02 -1.2344870000e+00  1.5013770000e+00 -8.6994900000e-01 -1.8890520000e+00  4.9935000000e-01  1.8070400000e-01  1.3834040000e+00 -5.6643500000e-01  5.1810000000e-03  4.6707600000e-01 -3.5250300000e-01 -6.5016000000e-02  1.4660410000e+00 -1.4878600000e+00
-ENERGY -1.526617333326e+02
-FORCES -1.7681000000e-03 -1.5872000000e-03  4.4337000000e-03 -1.5967000000e-03 -1.1836000000e-03 -4.5976000000e-03  3.6078000000e-03  2.6959000000e-03  7.0320000000e-04 -1.4408000000e-03 -8.8404000000e-03  5.3810000000e-04  9.1700000000e-04  1.0006400000e-02 -4.0328000000e-03  2.8080000000e-04 -1.0911000000e-03  2.9555000000e-03
-
-JOB 56
-COORDS  1.1605740000e+00  9.7333900000e-01 -2.2986900000e-01  3.5724400000e-01  5.4381300000e-01  6.4069000000e-02  1.7490390000e+00  2.5298100000e-01 -4.5575500000e-01 -1.1092520000e+00 -8.6609800000e-01  2.7238400000e-01 -1.9911960000e+00 -7.0218200000e-01 -6.1590000000e-02 -8.4600100000e-01 -1.6893140000e+00 -1.3901100000e-01
-ENERGY -1.526604842443e+02
-FORCES -6.2130000000e-03 -8.0509000000e-03  1.8375000000e-03  7.2546000000e-03  6.2114000000e-03 -1.7076000000e-03 -1.5673000000e-03  1.8830000000e-03  2.9800000000e-04 -2.7958000000e-03 -2.8338000000e-03 -3.5735000000e-03  4.3315000000e-03 -1.4293000000e-03  1.4213000000e-03 -1.0100000000e-03  4.2196000000e-03  1.7242000000e-03
-
-JOB 57
-COORDS  1.2960450000e+00 -3.8821000000e-01  4.6749900000e-01  1.6176720000e+00 -1.2705190000e+00  2.8224700000e-01  2.0566830000e+00  7.6047000000e-02  8.1696700000e-01 -1.4054930000e+00  4.0757600000e-01 -5.3490200000e-01 -1.4856940000e+00  9.0575400000e-01  2.7849700000e-01 -5.6698100000e-01 -4.7299000000e-02 -4.5604500000e-01
-ENERGY -1.526600648423e+02
-FORCES  4.4450000000e-03  2.7440000000e-04  1.0376000000e-03 -1.7993000000e-03  4.5615000000e-03  4.3150000000e-04 -2.8667000000e-03 -3.1764000000e-03 -1.0034000000e-03  8.5211000000e-03 -5.3890000000e-04  6.0671000000e-03 -1.1899000000e-03 -5.2120000000e-04 -2.6415000000e-03 -7.1103000000e-03 -5.9940000000e-04 -3.8913000000e-03
-
-JOB 58
-COORDS  1.1218230000e+00 -9.9875000000e-01  3.6705900000e-01  3.6627900000e-01 -4.5191500000e-01  1.5175100000e-01  1.8593220000e+00 -5.7130600000e-01 -6.8394000000e-02 -1.1294190000e+00  9.6025800000e-01 -2.6584200000e-01 -1.4878860000e+00  2.1565600000e-01 -7.4885400000e-01 -6.2337600000e-01  1.4471070000e+00 -9.1632700000e-01
-ENERGY -1.526580663681e+02
-FORCES -3.6836000000e-03  8.0111000000e-03 -1.0228000000e-03  5.3400000000e-03 -7.9467000000e-03 -2.3063000000e-03 -2.8975000000e-03 -1.1896000000e-03  8.9350000000e-04 -3.0269000000e-03  2.3895000000e-03 -5.4792000000e-03  5.3915000000e-03  2.7782000000e-03  4.0136000000e-03 -1.1234000000e-03 -4.0425000000e-03  3.9011000000e-03
-
-JOB 59
-COORDS  4.2078700000e-01 -1.4756180000e+00 -3.4208600000e-01 -4.7191400000e-01 -1.1884890000e+00 -1.5005700000e-01  9.6898800000e-01 -7.2568300000e-01 -1.1121000000e-01 -3.4802700000e-01  1.3967100000e+00  2.7497000000e-01 -3.1993400000e-01  1.6977800000e+00  1.1831550000e+00 -1.2801140000e+00  1.3742420000e+00  5.8312000000e-02
-ENERGY -1.526572054214e+02
-FORCES -2.2005000000e-03  1.0436200000e-02  2.4311000000e-03  9.6400000000e-05 -3.5117000000e-03 -1.0971000000e-03  1.6806000000e-03 -5.5748000000e-03 -4.8710000000e-04 -4.0141000000e-03  2.3144000000e-03  1.9623000000e-03  8.8100000000e-05 -2.1843000000e-03 -4.3499000000e-03  4.3495000000e-03 -1.4797000000e-03  1.5408000000e-03
-
-JOB 60
-COORDS -9.5777000000e-01  9.1338700000e-01 -7.5478100000e-01 -1.6577130000e+00  1.4827510000e+00 -4.3519300000e-01 -5.4615300000e-01  5.7065600000e-01  3.8528000000e-02  9.7734800000e-01 -9.3307200000e-01  6.1750100000e-01  5.5375500000e-01 -1.5424630000e+00  1.2220210000e+00  1.3478440000e+00 -2.5417900000e-01  1.1814780000e+00
-ENERGY -1.526565650796e+02
-FORCES  2.2144000000e-03 -3.1545000000e-03  4.1922000000e-03  3.2855000000e-03 -2.8910000000e-03 -1.8130000000e-04 -5.0347000000e-03  7.2407000000e-03 -1.4213000000e-03  3.1146000000e-03 -3.3236000000e-03  3.8018000000e-03  1.4215000000e-03  4.1360000000e-03 -2.8880000000e-03 -5.0012000000e-03 -2.0078000000e-03 -3.5034000000e-03
-
-JOB 61
-COORDS  6.4023500000e-01  9.7393300000e-01  1.0083160000e+00  4.2174100000e-01  4.5463800000e-01  2.3447700000e-01  1.4037910000e+00  1.4875700000e+00  7.4489500000e-01 -6.8727500000e-01 -9.4716000000e-01 -8.8158400000e-01  2.6813000000e-02 -1.5165430000e+00 -1.1681380000e+00 -1.2333930000e+00 -8.3690200000e-01 -1.6599360000e+00
-ENERGY -1.526596039674e+02
-FORCES -2.1346000000e-03 -2.8236000000e-03 -5.9280000000e-03  7.1198000000e-03  5.1179000000e-03  5.6305000000e-03 -2.7797000000e-03 -2.4623000000e-03  4.4400000000e-05 -2.6093000000e-03 -3.2295000000e-03 -4.6683000000e-03 -2.6192000000e-03  4.7724000000e-03  1.5937000000e-03  3.0230000000e-03 -1.3749000000e-03  3.3276000000e-03
-
-JOB 62
-COORDS  6.8460300000e-01  1.0944490000e+00  8.8755000000e-01  4.6998000000e-01  4.4681800000e-01  2.1617700000e-01  2.7839200000e-01  7.5641400000e-01  1.6856460000e+00 -6.7422200000e-01 -1.0212750000e+00 -8.3211200000e-01 -3.6586700000e-01 -4.7814200000e-01 -1.5574780000e+00 -6.0064100000e-01 -1.9189070000e+00 -1.1562650000e+00
-ENERGY -1.526585173740e+02
-FORCES -5.4211000000e-03 -8.2260000000e-03 -1.2750000000e-04  3.5449000000e-03  7.0442000000e-03 -1.0277000000e-03  2.0878000000e-03  2.1185000000e-03 -1.4531000000e-03 -8.9300000000e-05 -3.5784000000e-03 -4.9221000000e-03  7.7790000000e-04 -1.7887000000e-03  6.6314000000e-03 -9.0020000000e-04  4.4305000000e-03  8.9900000000e-04
-
-JOB 63
-COORDS -1.5687600000e-01  1.0195990000e+00 -1.1664850000e+00  1.5259600000e-01  3.5947200000e-01 -5.4625100000e-01  5.3412000000e-01  1.6819080000e+00 -1.1767250000e+00  1.5426000000e-01 -9.9040300000e-01  1.1007960000e+00 -5.6001600000e-01 -5.0457200000e-01  1.5131190000e+00 -8.3712000000e-02 -1.9104310000e+00  1.2154730000e+00
-ENERGY -1.526613176145e+02
-FORCES  4.6515000000e-03 -3.8729000000e-03  3.9453000000e-03 -2.6527000000e-03  8.1497000000e-03 -5.1846000000e-03 -2.3548000000e-03 -2.3818000000e-03  5.1940000000e-04 -4.2736000000e-03 -3.8656000000e-03  3.0281000000e-03  4.0641000000e-03 -2.3362000000e-03 -2.9383000000e-03  5.6550000000e-04  4.3068000000e-03  6.3000000000e-04
-
-JOB 64
-COORDS  1.2519150000e+00 -1.2549400000e-01 -8.4168800000e-01  1.2336070000e+00 -1.0549160000e+00 -1.0698810000e+00  1.0683060000e+00  3.2736300000e-01 -1.6647550000e+00 -1.2799520000e+00  9.4056000000e-02  8.9003700000e-01 -4.1568600000e-01  2.9445000000e-01  5.3070700000e-01 -1.4852590000e+00  8.4112600000e-01  1.4521470000e+00
-ENERGY -1.526611756637e+02
-FORCES  2.1760000000e-04 -3.9220000000e-03 -5.8968000000e-03  5.2740000000e-04  4.7190000000e-03  4.2510000000e-04  6.4270000000e-04 -1.9854000000e-03  4.1655000000e-03  6.1471000000e-03  2.2275000000e-03 -1.3850000000e-03 -8.8887000000e-03  1.1625000000e-03  5.1750000000e-03  1.3539000000e-03 -2.2017000000e-03 -2.4838000000e-03
-
-JOB 65
-COORDS -5.5439200000e-01 -1.3759810000e+00  5.5828800000e-01 -1.1206300000e-01 -2.0760580000e+00  7.8216000000e-02 -3.3684800000e-01 -5.7894200000e-01  7.4930000000e-02  5.5328600000e-01  1.3441360000e+00 -4.5447600000e-01  5.7928300000e-01  1.2783770000e+00 -1.4090610000e+00 -2.1617500000e-01  1.8834330000e+00 -2.7193800000e-01
-ENERGY -1.526593648575e+02
-FORCES  5.5521000000e-03  4.6976000000e-03 -3.7416000000e-03 -1.5803000000e-03  2.5341000000e-03  1.1299000000e-03 -5.8421000000e-03 -7.9891000000e-03  1.4493000000e-03 -6.8520000000e-04  6.5086000000e-03 -2.8215000000e-03 -9.6800000000e-04 -1.4404000000e-03  5.3021000000e-03  3.5234000000e-03 -4.3108000000e-03 -1.3182000000e-03
-
-JOB 66
-COORDS -3.7679000000e-01  1.0272610000e+00  1.1383660000e+00 -1.6287300000e-01  5.7448100000e-01  3.2260700000e-01 -5.0275500000e-01  1.9403250000e+00  8.8014400000e-01  3.4197000000e-01 -9.8846700000e-01 -1.0756660000e+00 -8.4307000000e-02 -1.8298090000e+00 -9.1237900000e-01  1.2551850000e+00 -1.2128100000e+00 -1.2543840000e+00
-ENERGY -1.526615913290e+02
-FORCES  1.2736000000e-03 -1.7951000000e-03 -6.7526000000e-03 -2.5864000000e-03  6.9650000000e-03  7.3257000000e-03  7.3320000000e-04 -3.2118000000e-03  3.9330000000e-04  2.2960000000e-03 -6.0015000000e-03 -1.7300000000e-04  2.6481000000e-03  3.5511000000e-03 -1.3071000000e-03 -4.3644000000e-03  4.9230000000e-04  5.1360000000e-04
-
-JOB 67
-COORDS -9.3713100000e-01 -1.1136340000e+00 -4.1368200000e-01 -5.8037900000e-01 -1.1839190000e+00 -1.2991310000e+00 -1.8834760000e+00 -1.1998590000e+00 -5.2869100000e-01  9.8743600000e-01  1.1694390000e+00  4.2609800000e-01  1.3330630000e+00  1.0796860000e+00  1.3141960000e+00  3.6261300000e-01  4.4968800000e-01  3.3786400000e-01
-ENERGY -1.526614532359e+02
-FORCES -4.2504000000e-03 -1.6524000000e-03 -4.7564000000e-03 -2.0064000000e-03  7.4370000000e-04  4.6803000000e-03  4.3138000000e-03 -4.0430000000e-04 -3.1200000000e-04 -4.0408000000e-03 -5.6234000000e-03  2.2109000000e-03 -1.3482000000e-03  2.1540000000e-04 -2.8672000000e-03  7.3319000000e-03  6.7210000000e-03  1.0444000000e-03
-
-JOB 68
-COORDS -5.5145800000e-01 -6.1101600000e-01 -1.3861330000e+00 -5.2841600000e-01  7.1470000000e-03 -6.5567100000e-01 -1.2615160000e+00 -2.9555300000e-01 -1.9451790000e+00  5.8990400000e-01  5.1392100000e-01  1.3236690000e+00  3.6337400000e-01  3.5579900000e-01  2.2401370000e+00  7.6601700000e-01  1.4537040000e+00  1.2786910000e+00
-ENERGY -1.526584717306e+02
-FORCES -6.7830000000e-04  3.4261000000e-03  4.0554000000e-03 -3.2191000000e-03 -1.6883000000e-03 -8.3758000000e-03  2.7127000000e-03 -6.3960000000e-04  2.6108000000e-03  1.8581000000e-03  1.9482000000e-03  6.2333000000e-03  1.3911000000e-03  1.4574000000e-03 -3.9785000000e-03 -2.0645000000e-03 -4.5039000000e-03 -5.4520000000e-04
-
-JOB 69
-COORDS -7.5339600000e-01  2.1939100000e-01  1.3842610000e+00  3.9826000000e-02  7.1769900000e-01  1.1874850000e+00 -1.2042760000e+00  7.3895300000e-01  2.0498390000e+00  7.4494700000e-01 -2.4485100000e-01 -1.4722410000e+00  9.2277200000e-01  1.1707700000e-01 -6.0412900000e-01  4.0866600000e-01 -1.1245630000e+00 -1.3012080000e+00
-ENERGY -1.526524011445e+02
-FORCES -1.8960000000e-04  5.6173000000e-03  2.6858000000e-03 -9.9690000000e-04 -4.3763000000e-03 -2.3172000000e-03  1.9211000000e-03 -2.4362000000e-03 -3.0415000000e-03 -3.5001000000e-03 -3.5480000000e-03  5.4224000000e-03  1.9810000000e-04  1.6217000000e-03 -5.4260000000e-04  2.5674000000e-03  3.1214000000e-03 -2.2068000000e-03
-
-JOB 70
-COORDS -7.3266200000e-01 -6.6329800000e-01 -1.3339970000e+00 -6.3702400000e-01  7.3147000000e-02 -1.9379290000e+00  1.1799600000e-01 -7.2996000000e-01 -9.0021100000e-01  6.7680100000e-01  5.9959100000e-01  1.2785840000e+00  1.3255060000e+00  3.7956300000e-01  1.9471660000e+00  8.2796000000e-02  1.2118200000e+00  1.7128250000e+00
-ENERGY -1.526571792754e+02
-FORCES  5.3334000000e-03  4.0666000000e-03  2.6881000000e-03 -8.8600000000e-04 -2.6269000000e-03  1.7319000000e-03 -3.1657000000e-03 -2.4769000000e-03 -5.2869000000e-03 -1.9677000000e-03  2.4285000000e-03  5.1801000000e-03 -2.8382000000e-03  6.3620000000e-04 -3.2250000000e-03  3.5242000000e-03 -2.0275000000e-03 -1.0882000000e-03
-
-JOB 71
-COORDS  3.6992800000e-01  2.3612100000e-01  1.6205400000e+00  1.2130500000e-01  3.5487000000e-01  7.0385300000e-01  1.0005490000e+00  9.3582200000e-01  1.7907380000e+00 -4.1374300000e-01 -2.9906600000e-01 -1.5136790000e+00  2.2037900000e-01  3.6879000000e-01 -1.7746180000e+00 -6.9240000000e-01 -7.0010100000e-01 -2.3369370000e+00
-ENERGY -1.526565600366e+02
-FORCES -3.2800000000e-04  1.2980000000e-03 -4.3711000000e-03  3.8559000000e-03  3.0769000000e-03  5.9165000000e-03 -2.3117000000e-03 -2.6147000000e-03 -1.4544000000e-03 -1.6100000000e-05 -1.5962000000e-03 -6.6308000000e-03 -2.9548000000e-03 -2.4067000000e-03  3.6697000000e-03  1.7546000000e-03  2.2426000000e-03  2.8701000000e-03
-
-JOB 72
-COORDS  7.9785100000e-01  1.5071160000e+00 -1.2647200000e-01  1.4582830000e+00  8.4489300000e-01  7.7299000000e-02 -2.6037000000e-02  1.0211880000e+00 -1.6272300000e-01 -7.5201400000e-01 -1.4085690000e+00  6.4931000000e-02 -1.4370780000e+00 -2.0583750000e+00 -9.2139000000e-02 -7.1350400000e-01 -1.3259770000e+00  1.0177840000e+00
-ENERGY -1.526582934215e+02
-FORCES -1.6664000000e-03 -7.2597000000e-03 -1.3370000000e-03 -1.5292000000e-03  3.3647000000e-03  4.4450000000e-04  3.5639000000e-03  5.4699000000e-03  1.9129000000e-03 -3.6813000000e-03 -4.9974000000e-03  2.6169000000e-03  3.0985000000e-03  2.6658000000e-03  1.3163000000e-03  2.1450000000e-04  7.5670000000e-04 -4.9536000000e-03
-
-JOB 73
-COORDS -3.4106400000e-01 -9.6217000000e-01 -1.3007310000e+00  2.6138000000e-02 -6.4955400000e-01 -2.1275720000e+00 -1.1044660000e+00 -4.0445100000e-01 -1.1510710000e+00  3.5031100000e-01  9.1262000000e-01  1.4062290000e+00  1.1319090000e+00  5.7449900000e-01  9.6918200000e-01 -1.9903100000e-01  1.2417370000e+00  6.9479600000e-01
-ENERGY -1.526541417886e+02
-FORCES -3.2781000000e-03  1.6126000000e-03 -3.1261000000e-03 -1.0767000000e-03 -6.9890000000e-04  4.5492000000e-03  4.2650000000e-03 -8.4060000000e-04 -4.0150000000e-04  1.5177000000e-03 -2.9562000000e-03 -6.5945000000e-03 -1.7911000000e-03  3.1441000000e-03  3.0715000000e-03  3.6320000000e-04 -2.6110000000e-04  2.5014000000e-03
-
-JOB 74
-COORDS -2.5957600000e-01 -1.1108200000e-01  1.6975300000e+00 -8.8290700000e-01 -8.3296000000e-01  1.7786700000e+00  4.0790400000e-01 -2.9492700000e-01  2.3585160000e+00  2.8026700000e-01  2.2770600000e-01 -1.7310710000e+00 -1.8706200000e-01 -2.0677100000e-01 -2.4445590000e+00  4.0263300000e-01 -4.5629500000e-01 -1.0727380000e+00
-ENERGY -1.526550469066e+02
-FORCES -7.2050000000e-04 -2.1733000000e-03  5.2519000000e-03  3.3063000000e-03  2.7451000000e-03 -1.3356000000e-03 -2.9271000000e-03  5.4260000000e-04 -3.3219000000e-03 -1.4313000000e-03 -3.8595000000e-03  2.1875000000e-03  1.5901000000e-03  1.5818000000e-03  3.0616000000e-03  1.8240000000e-04  1.1633000000e-03 -5.8436000000e-03
-
-JOB 75
-COORDS  4.6864200000e-01 -1.1124300000e+00  1.3550430000e+00  1.3294270000e+00 -8.4049500000e-01  1.0367130000e+00  1.0481600000e-01 -3.2705900000e-01  1.7637670000e+00 -5.5125500000e-01  1.0330640000e+00 -1.3328770000e+00  2.8177300000e-01  1.2137560000e+00 -8.9739100000e-01 -3.6820900000e-01  1.1611210000e+00 -2.2636440000e+00
-ENERGY -1.526524864778e+02
-FORCES  5.5630000000e-04  3.8760000000e-03 -5.2100000000e-05 -3.4732000000e-03 -2.8280000000e-04  8.9600000000e-04  2.5736000000e-03 -3.0443000000e-03 -1.5055000000e-03  3.9988000000e-03  2.0160000000e-04 -2.3528000000e-03 -2.9824000000e-03 -1.5000000000e-04 -9.7550000000e-04 -6.7310000000e-04 -6.0060000000e-04  3.9898000000e-03
-
-JOB 76
-COORDS  1.1055470000e+00 -1.3195620000e+00  4.4738200000e-01  5.3528000000e-01 -1.6049270000e+00  1.1612410000e+00  1.9926040000e+00 -1.4358170000e+00  7.8774200000e-01 -1.0860370000e+00  1.3922580000e+00 -4.7756300000e-01 -9.1870400000e-01  4.5599900000e-01 -3.6962200000e-01 -1.8722240000e+00  1.4343380000e+00 -1.0219630000e+00
-ENERGY -1.526562376353e+02
-FORCES  3.9616000000e-03 -1.5533000000e-03  4.8274000000e-03  1.4823000000e-03  1.7631000000e-03 -3.8812000000e-03 -3.8021000000e-03 -3.0550000000e-04 -1.0889000000e-03 -5.9410000000e-04 -4.4558000000e-03 -2.0680000000e-03 -4.0966000000e-03  4.8181000000e-03 -1.7000000000e-05  3.0489000000e-03 -2.6670000000e-04  2.2278000000e-03
-
-JOB 77
-COORDS  9.9093600000e-01 -1.0129010000e+00  1.2993730000e+00  8.6252100000e-01 -9.2347700000e-01  3.5505100000e-01  3.0834800000e-01 -4.6534800000e-01  1.6873070000e+00 -9.3991500000e-01  1.0433600000e+00 -1.2578410000e+00 -1.7339280000e+00  5.0905100000e-01 -1.2408570000e+00 -2.3512600000e-01  4.2031200000e-01 -1.4348020000e+00
-ENERGY -1.526535108063e+02
-FORCES -3.6253000000e-03  4.0390000000e-03 -1.5925000000e-03  4.2560000000e-04 -7.9240000000e-04  1.9425000000e-03  3.0117000000e-03 -3.3572000000e-03 -1.0816000000e-03 -1.3708000000e-03 -3.7495000000e-03 -2.8125000000e-03  4.0057000000e-03  2.2966000000e-03  5.2520000000e-04 -2.4469000000e-03  1.5636000000e-03  3.0189000000e-03
-
-JOB 78
-COORDS -1.0770710000e+00  1.3774140000e+00 -9.4703300000e-01 -1.2093270000e+00  1.9945620000e+00 -2.2740200000e-01 -1.2063430000e+00  5.1564500000e-01 -5.5096000000e-01  1.0259980000e+00 -1.3591860000e+00  8.7226600000e-01  1.7142350000e+00 -7.6022600000e-01  5.8276600000e-01  1.4899710000e+00 -2.0409690000e+00  1.3582010000e+00
-ENERGY -1.526567182871e+02
-FORCES -1.2954000000e-03 -2.1086000000e-03  4.9739000000e-03  6.6280000000e-04 -2.0437000000e-03 -2.9674000000e-03 -3.3670000000e-04  4.8956000000e-03 -2.5175000000e-03  5.5124000000e-03 -8.3730000000e-04  6.8220000000e-04 -2.8633000000e-03 -2.8604000000e-03  1.8142000000e-03 -1.6797000000e-03  2.9545000000e-03 -1.9854000000e-03
-
-JOB 79
-COORDS -8.0892200000e-01 -1.4734640000e+00 -1.1707300000e+00 -8.5429900000e-01 -7.2699100000e-01 -1.7681830000e+00 -1.4804390000e+00 -2.0767750000e+00 -1.4890280000e+00  8.9327000000e-01  1.4293020000e+00  1.1872540000e+00  9.9797100000e-01  2.3396840000e+00  1.4637930000e+00  9.3963000000e-02  1.1360290000e+00  1.6246680000e+00
-ENERGY -1.526543708808e+02
-FORCES -2.1085000000e-03  9.2120000000e-04 -4.1892000000e-03 -5.5750000000e-04 -3.4964000000e-03  2.2243000000e-03  2.7177000000e-03  2.5285000000e-03  1.4895000000e-03 -2.9959000000e-03  1.5422000000e-03  3.2445000000e-03 -4.5170000000e-04 -3.7041000000e-03 -1.3437000000e-03  3.3959000000e-03  2.2087000000e-03 -1.4254000000e-03
-
-JOB 80
-COORDS  3.8773000000e-02 -1.4777480000e+00  1.5742690000e+00  9.8666400000e-01 -1.4978420000e+00  1.7059170000e+00 -1.5942200000e-01 -5.5827500000e-01  1.3967300000e+00 -6.0693000000e-02  1.4327970000e+00 -1.5069660000e+00  1.2544100000e-01  1.8779090000e+00 -2.3336830000e+00 -6.5905800000e-01  7.2464200000e-01 -1.7450980000e+00
-ENERGY -1.526559797023e+02
-FORCES  3.5669000000e-03  4.4474000000e-03 -2.9120000000e-04 -3.7464000000e-03 -3.4970000000e-04 -2.2110000000e-04  1.2410000000e-04 -4.6785000000e-03  1.1003000000e-03 -1.6122000000e-03 -8.2870000000e-04 -5.2432000000e-03 -8.4120000000e-04 -1.9057000000e-03  3.2714000000e-03  2.5088000000e-03  3.3153000000e-03  1.3838000000e-03
-
-JOB 81
-COORDS  4.3545900000e-01 -1.1571430000e+00  1.7428660000e+00  8.6185000000e-02 -1.1321180000e+00  2.6337160000e+00  5.3224100000e-01 -2.0895250000e+00  1.5491410000e+00 -4.3383900000e-01  1.2494000000e+00 -1.7320450000e+00  2.8924500000e-01  6.2681300000e-01 -1.8079890000e+00 -9.1710000000e-01  1.1572600000e+00 -2.5531420000e+00
-ENERGY -1.526537845958e+02
-FORCES -1.6776000000e-03 -3.2113000000e-03  3.3142000000e-03  1.6143000000e-03 -3.9730000000e-04 -3.5444000000e-03 -2.1900000000e-04  3.8756000000e-03  4.1600000000e-04  1.3815000000e-03 -3.4292000000e-03 -2.6440000000e-03 -2.9410000000e-03  2.7920000000e-03 -8.6340000000e-04  1.8418000000e-03  3.7020000000e-04  3.3216000000e-03
-
-JOB 82
-COORDS  2.9316000000e-02 -1.9131680000e+00 -1.3935240000e+00 -9.1558600000e-01 -1.9863700000e+00 -1.2592350000e+00  3.9050100000e-01 -2.7045150000e+00 -9.9409100000e-01 -1.2567000000e-02  1.9236330000e+00  1.4115840000e+00  5.4016000000e-02  1.7001940000e+00  4.8321200000e-01  1.6877500000e-01  2.8628690000e+00  1.4459750000e+00
-ENERGY -1.526551451549e+02
-FORCES -2.2799000000e-03 -4.1063000000e-03  2.5047000000e-03  3.9205000000e-03  5.2320000000e-04 -7.3450000000e-04 -1.5541000000e-03  3.1122000000e-03 -1.8700000000e-03  1.3660000000e-03  2.4439000000e-03 -4.0377000000e-03 -6.9250000000e-04  1.7444000000e-03  4.2282000000e-03 -7.6000000000e-04 -3.7175000000e-03 -9.0700000000e-05
-
-JOB 83
-COORDS  6.3036200000e-01 -2.3474280000e+00  4.1965700000e-01  6.7408500000e-01 -1.9713650000e+00 -4.5948800000e-01 -1.3987500000e-01 -1.9407390000e+00  8.1661000000e-01 -6.2850100000e-01  2.2502910000e+00 -4.0504100000e-01  3.1938900000e-01  2.1786740000e+00 -2.9275800000e-01 -8.1165100000e-01  3.1848500000e+00 -3.0867600000e-01
-ENERGY -1.526551779470e+02
-FORCES -3.6580000000e-03  3.2717000000e-03 -2.1212000000e-03  3.9950000000e-04 -1.5981000000e-03  3.5876000000e-03  3.4688000000e-03 -2.0422000000e-03 -1.3440000000e-03  3.0192000000e-03  4.2701000000e-03  9.0350000000e-04 -4.0753000000e-03 -6.8400000000e-05 -6.2870000000e-04  8.4580000000e-04 -3.8332000000e-03 -3.9730000000e-04
-
-JOB 84
-COORDS  3.3977200000e-01 -1.4091610000e+00  2.0165070000e+00  1.3571700000e-01 -6.7148200000e-01  2.5913300000e+00  1.2961620000e+00 -1.4299530000e+00  1.9830670000e+00 -3.5300200000e-01  1.3302780000e+00 -2.0002740000e+00 -6.7292000000e-01  2.2226840000e+00 -1.8679990000e+00 -5.1410800000e-01  1.1524610000e+00 -2.9269120000e+00
-ENERGY -1.526535449716e+02
-FORCES  3.0543000000e-03  3.4945000000e-03  1.3026000000e-03  7.8920000000e-04 -3.1066000000e-03 -1.9076000000e-03 -3.7740000000e-03 -1.8260000000e-04  5.1820000000e-04 -2.2390000000e-03  2.5114000000e-03 -3.2395000000e-03  1.4226000000e-03 -3.5726000000e-03 -4.1900000000e-04  7.4690000000e-04  8.5590000000e-04  3.7453000000e-03
-
-JOB 85
-COORDS -6.1570300000e-01  2.8938350000e+00 -1.3306680000e+00 -1.5361000000e-02  2.2056540000e+00 -1.0439120000e+00 -1.1932410000e+00  2.4616380000e+00 -1.9598630000e+00  6.3745500000e-01 -2.7754860000e+00  1.3288070000e+00  1.1225940000e+00 -3.4951760000e+00  1.7324380000e+00 -2.5861300000e-01 -3.1032590000e+00  1.2522690000e+00
-ENERGY -1.526545162193e+02
-FORCES  2.9350000000e-04 -4.7743000000e-03 -1.1948000000e-03 -2.5534000000e-03  3.0540000000e-03 -1.3641000000e-03  2.2161000000e-03  1.8140000000e-03  2.4746000000e-03 -1.5908000000e-03 -4.4403000000e-03  1.6135000000e-03 -2.0256000000e-03  2.9217000000e-03 -1.6909000000e-03  3.6602000000e-03  1.4250000000e-03  1.6160000000e-04
-
-JOB 86
-COORDS  2.3557500000e-01  2.7517560000e+00  1.7321020000e+00  9.0574000000e-01  3.3264410000e+00  2.1020310000e+00 -2.4269900000e-01  3.3064630000e+00  1.1158340000e+00 -2.7317800000e-01 -2.8684970000e+00 -1.7544890000e+00 -7.1377200000e-01 -2.4404710000e+00 -1.0203900000e+00  5.9550200000e-01 -2.4672780000e+00 -1.7799800000e+00
-ENERGY -1.526545737395e+02
-FORCES  7.5450000000e-04  4.8624000000e-03 -8.0830000000e-04 -2.7308000000e-03 -2.3776000000e-03 -1.5680000000e-03  1.9890000000e-03 -2.3879000000e-03  2.4648000000e-03  1.7833000000e-03  3.5315000000e-03  3.1455000000e-03  1.6734000000e-03 -1.8968000000e-03 -3.1461000000e-03 -3.4694000000e-03 -1.7317000000e-03 -8.7800000000e-05
-
-JOB 87
-COORDS  4.2491000000e-01 -3.3893090000e+00 -1.6110100000e-01  9.2447000000e-02 -3.0255550000e+00 -9.8170100000e-01 -3.3172800000e-01 -3.3897600000e+00  4.2518400000e-01 -3.9152700000e-01  3.4319410000e+00  1.8254200000e-01 -5.3492500000e-01  2.8360210000e+00 -5.5267800000e-01  1.8923100000e-01  2.9506170000e+00  7.7184500000e-01
-ENERGY -1.526540824152e+02
-FORCES -4.5214000000e-03  1.0159000000e-03 -9.8550000000e-04  1.4128000000e-03 -1.2187000000e-03  3.4313000000e-03  3.1666000000e-03  1.9260000000e-04 -2.4325000000e-03  2.0098000000e-03 -4.3071000000e-03 -5.5430000000e-04  4.4140000000e-04  2.3429000000e-03  2.9700000000e-03 -2.5091000000e-03  1.9745000000e-03 -2.4290000000e-03
-
-JOB 88
-COORDS  9.7152000000e-01 -2.6768950000e+00  3.0365310000e+00  1.9565500000e-01 -3.2372190000e+00  3.0539140000e+00  1.6106430000e+00 -3.1349680000e+00  3.5823530000e+00 -9.1374300000e-01  2.7829330000e+00 -3.0570910000e+00 -8.0055900000e-01  1.9208840000e+00 -3.4574550000e+00 -1.8437930000e+00  2.8239030000e+00 -2.8344660000e+00
-ENERGY -1.526539991987e+02
-FORCES -4.9270000000e-04 -4.1055000000e-03  2.3560000000e-03  3.1358000000e-03  2.2861000000e-03 -1.2000000000e-04 -2.6305000000e-03  1.8462000000e-03 -2.2389000000e-03 -3.2405000000e-03 -3.4549000000e-03 -5.4220000000e-04 -5.1520000000e-04  3.5548000000e-03  1.5196000000e-03  3.7431000000e-03 -1.2660000000e-04 -9.7440000000e-04
-
-JOB 89
-COORDS  1.4233430000e+00 -4.2223620000e+00  9.4213400000e-01  2.0171280000e+00 -3.6335080000e+00  1.4078610000e+00  1.3691200000e+00 -3.8587880000e+00  5.8332000000e-02 -1.4437460000e+00  4.1765900000e+00 -9.8039100000e-01 -1.8489950000e+00  4.7614180000e+00 -3.4009300000e-01 -1.2448940000e+00  3.3810280000e+00 -4.8666000000e-01
-ENERGY -1.526540661502e+02
-FORCES  2.2844000000e-03  3.7747000000e-03 -1.7704000000e-03 -2.4830000000e-03 -2.3470000000e-03 -1.8785000000e-03  1.8400000000e-04 -1.4292000000e-03  3.6619000000e-03 -9.5170000000e-04 -7.9740000000e-04  4.6420000000e-03  1.6875000000e-03 -2.4004000000e-03 -2.6146000000e-03 -7.2120000000e-04  3.1993000000e-03 -2.0405000000e-03
-
-JOB 0
-COORDS -9.9906800000e-01 -6.9679400000e-01  2.2094300000e-01 -7.9229300000e-01 -1.1453120000e+00  1.0408870000e+00 -1.4129340000e+00 -1.3678130000e+00 -3.2190200000e-01  1.0641330000e+00  7.9665800000e-01 -1.9975300000e-01  1.0965860000e+00  4.4952800000e-01 -1.0912010000e+00  1.8773000000e-01  5.7265600000e-01  1.1325600000e-01
-ENERGY -1.526546819411e+02
-FORCES  1.1716000000e-02  4.3948000000e-03 -3.3101000000e-03 -1.3535000000e-03  2.8567000000e-03 -4.5341000000e-03  2.7602000000e-03  1.9232000000e-03  3.3581000000e-03 -1.7129100000e-02 -1.3692600000e-02 -1.5513000000e-03  1.3739000000e-03  1.2982000000e-03  9.6370000000e-04  2.6325000000e-03  3.2196000000e-03  5.0737000000e-03
-
-JOB 1
-COORDS -1.1123720000e+00  2.6075400000e-01  4.9460000000e-01 -1.1914300000e+00 -5.0032300000e-01  1.0697020000e+00 -1.4116360000e+00  9.9690200000e-01  1.0282290000e+00  1.1917950000e+00 -2.7636400000e-01 -5.2627000000e-01  2.8243400000e-01 -1.9346900000e-01 -2.3917700000e-01  1.1656360000e+00 -8.6513000000e-02 -1.4640890000e+00
-ENERGY -1.526562786387e+02
-FORCES  1.3034400000e-02  1.6760000000e-03 -2.1878000000e-03  2.9815000000e-03  4.6240000000e-03 -4.4542000000e-03 -4.3990000000e-04 -5.0889000000e-03 -1.3443000000e-03 -1.8126000000e-02  6.7929000000e-03  5.8121000000e-03  3.8529000000e-03 -8.2362000000e-03 -6.9520000000e-04 -1.3029000000e-03  2.3230000000e-04  2.8693000000e-03
-
-JOB 2
-COORDS  2.1092100000e-01 -3.0997500000e-01  1.2641100000e+00  9.4643500000e-01 -8.6753800000e-01  1.5178310000e+00  3.7402800000e-01 -1.0139000000e-01  3.4426200000e-01 -1.9023300000e-01  3.3171600000e-01 -1.2389880000e+00 -8.0603800000e-01  1.0244420000e+00 -9.9993300000e-01 -7.2944300000e-01 -4.5638400000e-01 -1.3051920000e+00
-ENERGY -1.526589776910e+02
-FORCES  3.9750000000e-04  5.2346000000e-03 -1.6640900000e-02 -2.1094000000e-03  1.5846000000e-03 -3.9055000000e-03 -1.1610000000e-03 -4.6004000000e-03  1.0020200000e-02 -5.1904000000e-03 -1.7870000000e-03  9.2923000000e-03  3.6838000000e-03 -4.4339000000e-03 -8.0070000000e-04  4.3795000000e-03  4.0021000000e-03  2.0346000000e-03
-
-JOB 3
-COORDS -1.1439570000e+00  1.2494400000e-01 -4.5589800000e-01 -1.4135460000e+00  5.9583300000e-01 -1.2444520000e+00 -1.9654690000e+00 -1.2246000000e-01 -3.1468000000e-02  1.2599580000e+00 -1.6228500000e-01  4.4204100000e-01  3.7556700000e-01 -5.9617000000e-02  9.0553000000e-02  1.2000580000e+00  1.6139900000e-01  1.3408580000e+00
-ENERGY -1.526576341691e+02
-FORCES  1.1819800000e-02 -1.5125000000e-03  4.5786000000e-03 -6.4240000000e-04 -2.8742000000e-03  4.6429000000e-03  3.1431000000e-03  2.6701000000e-03 -3.2793000000e-03 -1.9078500000e-02  3.3244000000e-03 -5.4730000000e-03  5.9890000000e-03 -5.4030000000e-04  1.7178000000e-03 -1.2309000000e-03 -1.0675000000e-03 -2.1871000000e-03
-
-JOB 4
-COORDS  1.2556580000e+00  1.5848500000e-01 -5.3806700000e-01  1.6919160000e+00  2.8626900000e-01  3.0430000000e-01  3.2268800000e-01  1.4032700000e-01 -3.2483400000e-01 -1.1669480000e+00 -1.8461800000e-01  4.3890600000e-01 -2.0751110000e+00 -3.5483200000e-01  1.8890800000e-01 -1.2316590000e+00  3.1317900000e-01  1.2539170000e+00
-ENERGY -1.526574297114e+02
-FORCES -1.5644200000e-02 -3.3868000000e-03  7.4331000000e-03 -2.1892000000e-03  2.2190000000e-04 -1.4908000000e-03  6.9433000000e-03  2.7673000000e-03 -9.8200000000e-04  5.9424000000e-03  1.7049000000e-03 -3.3031000000e-03  4.2040000000e-03  1.3345000000e-03  3.0337000000e-03  7.4370000000e-04 -2.6419000000e-03 -4.6909000000e-03
-
-JOB 5
-COORDS  6.9859000000e-02 -2.6260900000e-01  1.2603060000e+00 -4.9685800000e-01 -8.8260900000e-01  1.7192890000e+00 -2.2509000000e-01  5.9795000000e-01  1.5580900000e+00 -8.0398000000e-02  2.3687800000e-01 -1.3452670000e+00  7.1659500000e-01  7.1543700000e-01 -1.5733310000e+00  4.1945000000e-02 -1.0033000000e-02 -4.2858900000e-01
-ENERGY -1.526597061269e+02
-FORCES -4.2442000000e-03  1.0967000000e-03 -5.6072000000e-03  2.5169000000e-03  4.4009000000e-03 -1.4780000000e-03  1.6143000000e-03 -5.0603000000e-03 -2.8376000000e-03  3.1190000000e-03 -4.9302000000e-03  1.6112300000e-02 -2.2487000000e-03 -9.1510000000e-04  2.5654000000e-03 -7.5730000000e-04  5.4081000000e-03 -8.7549000000e-03
-
-JOB 6
-COORDS  1.3482190000e+00  1.9285900000e-01  2.0623600000e-01  1.7899840000e+00 -5.2538600000e-01 -2.4675300000e-01  4.1686600000e-01  4.1148000000e-02  4.5617000000e-02 -1.2534800000e+00 -1.5286100000e-01 -1.3960500000e-01 -2.0844420000e+00 -5.6627600000e-01  9.4536000000e-02 -1.4806160000e+00  4.6656200000e-01 -8.3311500000e-01
-ENERGY -1.526586147464e+02
-FORCES -1.4468600000e-02 -5.2367000000e-03 -1.1986000000e-03 -2.1310000000e-03  1.6958000000e-03  9.4230000000e-04  6.0925000000e-03  4.3494000000e-03 -3.4373000000e-03  6.2137000000e-03 -4.6700000000e-05  2.8609000000e-03  2.5418000000e-03  3.2561000000e-03 -3.1743000000e-03  1.7516000000e-03 -4.0179000000e-03  4.0071000000e-03
-
-JOB 7
-COORDS  6.9191900000e-01  9.1567900000e-01  7.7052800000e-01  2.9039200000e-01  3.2077000000e-01  1.3721000000e-01  8.6975900000e-01  3.6788200000e-01  1.5350690000e+00 -6.2781200000e-01 -8.1816100000e-01 -7.5364900000e-01 -1.5502410000e+00 -5.6487100000e-01 -7.8827700000e-01 -6.0626500000e-01 -1.6980550000e+00 -1.1298860000e+00
-ENERGY -1.526593053345e+02
-FORCES -6.4395000000e-03 -1.3124900000e-02 -7.4546000000e-03  8.2490000000e-04  6.5108000000e-03  3.4933000000e-03 -3.8390000000e-04  1.1851000000e-03 -1.8748000000e-03  3.5244000000e-03  3.8019000000e-03  4.1111000000e-03  4.9498000000e-03 -2.4211000000e-03 -2.1480000000e-04 -2.4757000000e-03  4.0482000000e-03  1.9398000000e-03
-
-JOB 8
-COORDS -3.9580200000e-01 -2.9575200000e-01 -1.2976710000e+00 -7.9159000000e-02  9.2460000000e-03 -4.4740900000e-01 -4.6676900000e-01 -1.2453860000e+00 -1.2007690000e+00  3.3820400000e-01  3.0667400000e-01  1.2087600000e+00  4.9014900000e-01  1.2118050000e+00  1.4805740000e+00  1.0401230000e+00 -1.9091600000e-01  1.6282190000e+00
-ENERGY -1.526594503262e+02
-FORCES  3.8640000000e-03  1.4742000000e-03  1.6728500000e-02 -1.9404000000e-03 -6.5800000000e-04 -8.6002000000e-03  9.2100000000e-04  2.2047000000e-03  1.2920000000e-04  7.8820000000e-04 -7.9310000000e-04 -5.1554000000e-03  1.0180000000e-04 -5.3036000000e-03 -1.3489000000e-03 -3.7346000000e-03  3.0757000000e-03 -1.7532000000e-03
-
-JOB 9
-COORDS -9.5027500000e-01  4.4972000000e-01 -8.8830000000e-01 -1.8293200000e-01  1.1499500000e-01 -4.2421300000e-01 -5.8938500000e-01  1.0040930000e+00 -1.5801540000e+00  8.3044000000e-01 -4.8886300000e-01  8.6297600000e-01  1.7182000000e+00 -3.1018400000e-01  5.5283400000e-01  8.4824300000e-01 -2.5300900000e-01  1.7904930000e+00
-ENERGY -1.526578612741e+02
-FORCES  9.9094000000e-03 -4.8695000000e-03  1.0063300000e-02 -2.3711000000e-03  3.4741000000e-03 -9.4126000000e-03  1.2385000000e-03 -2.3246000000e-03  3.3892000000e-03 -4.7099000000e-03  4.7761000000e-03  3.7370000000e-04 -6.3282000000e-03  7.8890000000e-04  8.0000000000e-07  2.2613000000e-03 -1.8451000000e-03 -4.4144000000e-03
-
-JOB 10
-COORDS  5.5262000000e-01 -8.1684100000e-01 -8.6128700000e-01  1.4297010000e+00 -1.1647230000e+00 -1.0223400000e+00  4.9302000000e-02 -1.5693710000e+00 -5.5047700000e-01 -5.5211400000e-01  8.8693800000e-01  9.1753900000e-01 -1.3550600000e+00  1.2463880000e+00  5.4030400000e-01 -1.3500000000e-01  4.1986100000e-01  1.9360100000e-01
-ENERGY -1.526604306629e+02
-FORCES  4.3070000000e-04  6.2740000000e-04  5.2827000000e-03 -4.9307000000e-03 -1.9230000000e-04  6.9910000000e-04  2.8689000000e-03  4.6846000000e-03 -1.6855000000e-03  6.1408000000e-03 -6.1107000000e-03 -1.0703300000e-02  2.5559000000e-03 -2.4689000000e-03  1.1750000000e-04 -7.0656000000e-03  3.4599000000e-03  6.2895000000e-03
-
-JOB 11
-COORDS -3.3550900000e-01 -7.1770500000e-01 -1.0683610000e+00  7.3120000000e-03 -1.5605720000e+00 -7.7124200000e-01  2.6270600000e-01 -4.4742700000e-01 -1.7650100000e+00  3.1511300000e-01  7.2854600000e-01  1.1430050000e+00  1.6775700000e-01  2.9186200000e-01  3.0406300000e-01 -1.6331900000e-01  1.5544660000e+00  1.0709500000e+00
-ENERGY -1.526598660191e+02
-FORCES  2.5797000000e-03 -1.8275000000e-03  1.7560000000e-03 -8.1210000000e-04  6.3258000000e-03 -1.2560000000e-03 -2.6148000000e-03 -3.1130000000e-04  5.9055000000e-03 -6.7633000000e-03 -6.2661000000e-03 -1.3338700000e-02  6.1408000000e-03  4.4448000000e-03  7.7916000000e-03  1.4697000000e-03 -2.3657000000e-03 -8.5840000000e-04
-
-JOB 12
-COORDS -9.6052800000e-01 -8.4039800000e-01  1.4553600000e-01 -1.2900540000e+00 -1.4677340000e+00 -4.9796500000e-01 -1.4284020000e+00 -1.0559940000e+00  9.5228500000e-01  9.9542600000e-01  9.5621700000e-01 -1.3450500000e-01  4.7259400000e-01  1.6307000000e-01 -1.7047000000e-02  1.7543940000e+00  6.7025800000e-01 -6.4286200000e-01
-ENERGY -1.526593920604e+02
-FORCES  2.7572000000e-03  3.5581000000e-03 -2.8690000000e-04  1.1573000000e-03  2.4121000000e-03  4.0642000000e-03  1.3584000000e-03 -6.3500000000e-05 -4.9300000000e-03 -9.3382000000e-03 -1.0146900000e-02  1.0268000000e-03  7.5590000000e-03  4.9821000000e-03 -9.1540000000e-04 -3.4937000000e-03 -7.4180000000e-04  1.0413000000e-03
-
-JOB 13
-COORDS  1.0575300000e+00 -8.1657100000e-01 -3.6979600000e-01  3.0715300000e-01 -3.8619200000e-01  4.0009000000e-02  1.0961990000e+00 -1.6781960000e+00  4.5342000000e-02 -9.6977400000e-01  8.8713900000e-01  3.1055500000e-01 -1.6977200000e+00  6.2523800000e-01 -2.5312400000e-01 -1.0606060000e+00  3.3906500000e-01  1.0900390000e+00
-ENERGY -1.526545464833e+02
-FORCES -8.6631000000e-03  8.2988000000e-03  2.5362000000e-03  3.0805000000e-03 -9.6144000000e-03  3.9235000000e-03 -2.7918000000e-03  4.4381000000e-03 -1.0390000000e-04 -2.2720000000e-03 -2.2709000000e-03 -1.9416000000e-03  4.5858000000e-03  4.9760000000e-04  3.7690000000e-03  6.0606000000e-03 -1.3492000000e-03 -8.1832000000e-03
-
-JOB 14
-COORDS  1.0183310000e+00  4.1145400000e-01  7.3586800000e-01  1.7941900000e+00  5.0352900000e-01  1.8288000000e-01  1.2834530000e+00 -2.0206300000e-01  1.4210970000e+00 -1.0813720000e+00 -4.4802900000e-01 -7.6152200000e-01 -4.1306000000e-01 -1.6330000000e-02 -2.2933200000e-01 -1.7138610000e+00  2.4270300000e-01 -9.5920500000e-01
-ENERGY -1.526614090960e+02
-FORCES -5.1980000000e-04 -4.8320000000e-03 -2.1628000000e-03 -3.9694000000e-03 -8.6700000000e-04  3.2545000000e-03 -5.3600000000e-05  3.4203000000e-03 -3.8263000000e-03  9.6325000000e-03  5.9532000000e-03  8.2972000000e-03 -8.2050000000e-03 -2.6128000000e-03 -6.8513000000e-03  3.1153000000e-03 -1.0617000000e-03  1.2887000000e-03
-
-JOB 15
-COORDS -4.3644500000e-01 -7.2377000000e-02 -1.3276650000e+00 -3.9529200000e-01  7.6549800000e-01 -1.7886470000e+00 -2.6334600000e-01  1.4845400000e-01 -4.1251400000e-01  4.3315100000e-01 -1.4003000000e-02  1.2388050000e+00 -2.4190500000e-01 -2.0955100000e-01  1.8886450000e+00  9.6647200000e-01  6.6926900000e-01  1.6449330000e+00
-ENERGY -1.526595002513e+02
-FORCES  5.1816000000e-03  1.9751000000e-03  1.2514000000e-02  7.0080000000e-04 -1.9432000000e-03  2.9240000000e-03 -5.5415000000e-03  6.9630000000e-04 -8.8864000000e-03 -3.8640000000e-04  5.1210000000e-04 -7.9080000000e-04  3.5833000000e-03  2.0852000000e-03 -3.9817000000e-03 -3.5378000000e-03 -3.3255000000e-03 -1.7792000000e-03
-
-JOB 16
-COORDS  1.9858400000e-01 -3.8955500000e-01 -1.2345530000e+00  1.8363300000e-01 -1.3412690000e+00 -1.1333180000e+00  6.8919300000e-01 -2.4189600000e-01 -2.0430900000e+00 -2.3162000000e-01  3.7436100000e-01  1.3163970000e+00 -2.5654300000e-01  1.2799890000e+00  1.6253460000e+00 -1.3709700000e-01  4.4730100000e-01  3.6667200000e-01
-ENERGY -1.526604251036e+02
-FORCES  1.1579000000e-03 -2.0793000000e-03  4.2998000000e-03  6.8440000000e-04  4.6161000000e-03 -2.5823000000e-03 -2.0793000000e-03 -1.8358000000e-03  3.4486000000e-03  2.0239000000e-03 -8.3430000000e-04 -1.1116100000e-02  6.4460000000e-04 -2.3838000000e-03 -2.9029000000e-03 -2.4315000000e-03  2.5171000000e-03  8.8529000000e-03
-
-JOB 17
-COORDS  5.4844100000e-01 -1.1640440000e+00  2.4760000000e-01  1.4300370000e+00 -1.2247870000e+00  6.1547500000e-01  4.9209400000e-01 -1.8989200000e+00 -3.6314800000e-01 -5.6739700000e-01  1.2500370000e+00 -2.7980800000e-01 -3.2062300000e-01  3.8016000000e-01  3.4276000000e-02 -1.3513580000e+00  1.4729500000e+00  2.2213500000e-01
-ENERGY -1.526609815553e+02
-FORCES  8.3110000000e-04  3.8042000000e-03 -3.0585000000e-03 -4.1063000000e-03 -1.3500000000e-03 -2.3007000000e-03  1.5213000000e-03  2.8039000000e-03  3.6492000000e-03  4.2424000000e-03 -1.1537200000e-02  3.4257000000e-03 -5.1814000000e-03  8.6099000000e-03 -8.1690000000e-04  2.6930000000e-03 -2.3308000000e-03 -8.9880000000e-04
-
-JOB 18
-COORDS -5.1694500000e-01 -5.4155100000e-01  1.2066170000e+00 -8.3805500000e-01 -1.3876080000e+00  8.9467600000e-01 -3.8070100000e-01 -2.8152000000e-02  4.1031800000e-01  5.1376200000e-01  5.3098500000e-01 -1.0725720000e+00  2.3300900000e-01  2.5855200000e-01 -1.9461800000e+00  1.0419930000e+00  1.3147780000e+00 -1.2238050000e+00
-ENERGY -1.526589468055e+02
-FORCES  5.2616000000e-03  3.4560000000e-03 -1.2545800000e-02  7.6170000000e-04  2.5164000000e-03  7.8300000000e-05 -4.8151000000e-03 -2.9511000000e-03  6.4243000000e-03 -9.6900000000e-05 -2.4270000000e-04  2.3448000000e-03  1.5686000000e-03  1.4187000000e-03  4.5115000000e-03 -2.6799000000e-03 -4.1973000000e-03 -8.1310000000e-04
-
-JOB 19
-COORDS -1.3804670000e+00  2.9489100000e-01 -2.8338000000e-01 -5.6893200000e-01 -2.0151600000e-01 -1.7744100000e-01 -1.1502510000e+00  1.1883810000e+00 -2.8607000000e-02  1.2923550000e+00 -2.6448400000e-01  2.2251200000e-01  1.7378890000e+00 -1.6673400000e-01  1.0640440000e+00  1.2865550000e+00 -1.2081500000e+00  6.2223000000e-02
-ENERGY -1.526572172501e+02
-FORCES  1.5155700000e-02  2.0165000000e-03  3.7173000000e-03 -5.6748000000e-03 -5.5857000000e-03 -2.9825000000e-03 -2.7599000000e-03 -1.2203000000e-03 -3.8150000000e-04 -1.1059000000e-03 -6.6170000000e-04  3.2496000000e-03 -1.6937000000e-03 -6.8570000000e-04 -4.5880000000e-03 -3.9215000000e-03  6.1369000000e-03  9.8510000000e-04
-
-JOB 20
-COORDS -1.8516400000e-01  1.8646800000e-01 -1.3084710000e+00 -1.5444000000e-01 -5.5596000000e-01 -1.9118690000e+00  4.9744200000e-01  7.7943000000e-01 -1.6225990000e+00  1.1984100000e-01 -1.3233800000e-01  1.4060080000e+00  7.7059900000e-01 -8.0814400000e-01  1.5958260000e+00 -9.3754000000e-02 -2.5779800000e-01  4.8141700000e-01
-ENERGY -1.526599311158e+02
-FORCES  4.0448000000e-03  2.1605000000e-03  8.2840000000e-04  9.3430000000e-04  3.3493000000e-03  4.2847000000e-03 -3.4526000000e-03 -4.0043000000e-03 -6.2400000000e-05 -6.4810000000e-04 -2.3460000000e-04 -1.2955400000e-02 -1.8441000000e-03  1.9535000000e-03 -1.9990000000e-03  9.6560000000e-04 -3.2243000000e-03  9.9037000000e-03
-
-JOB 21
-COORDS  1.2077210000e+00  2.5213800000e-01 -6.6284500000e-01  2.0366310000e+00 -1.3071500000e-01 -3.7550500000e-01  5.5449700000e-01 -1.1523500000e-01 -6.7390000000e-02 -1.2410520000e+00 -1.8671200000e-01  5.5394700000e-01 -1.0447140000e+00 -1.0947970000e+00  7.8430400000e-01 -1.0460000000e+00  3.1000800000e-01  1.3485880000e+00
-ENERGY -1.526554599928e+02
-FORCES -9.4630000000e-03 -1.9698000000e-03  4.2185000000e-03 -5.0612000000e-03  4.1750000000e-04  7.3860000000e-04  1.0061300000e-02 -2.0640000000e-03  5.2280000000e-04 -1.0293000000e-03  6.5560000000e-04  2.7224000000e-03  3.9775000000e-03  6.7298000000e-03 -2.8413000000e-03  1.5146000000e-03 -3.7691000000e-03 -5.3610000000e-03
-
-JOB 22
-COORDS  1.1285250000e+00  2.2691800000e-01 -8.4090300000e-01  4.0035500000e-01 -6.4028000000e-02 -2.9194900000e-01  1.7502360000e+00  6.1827100000e-01 -2.2726700000e-01 -1.0539060000e+00 -2.5237600000e-01  7.9007400000e-01 -1.3818110000e+00  6.3537900000e-01  6.4653700000e-01 -1.8116090000e+00 -8.1617900000e-01  6.3437100000e-01
-ENERGY -1.526609365489e+02
-FORCES -8.0397000000e-03 -4.0995000000e-03  9.7001000000e-03  6.6604000000e-03  5.2427000000e-03 -6.0816000000e-03 -2.7070000000e-03 -5.6670000000e-04 -1.4113000000e-03 -1.9600000000e-03  9.0180000000e-04 -2.9878000000e-03  2.9322000000e-03 -5.3882000000e-03 -5.5400000000e-05  3.1141000000e-03  3.9099000000e-03  8.3600000000e-04
-
-JOB 23
-COORDS -3.1327700000e-01 -8.1909900000e-01  1.1225500000e+00 -1.9984900000e-01 -2.5291300000e-01  3.5913700000e-01 -1.0608600000e-01 -2.5834900000e-01  1.8701220000e+00  2.4459500000e-01  7.8966300000e-01 -1.0855180000e+00  1.8652200000e-01  5.4465800000e-01 -2.0090070000e+00  1.0772270000e+00  4.2044800000e-01 -7.9117600000e-01
-ENERGY -1.526583160930e+02
-FORCES -1.6629000000e-03  8.9161000000e-03 -7.4404000000e-03  7.0463000000e-03 -5.3452000000e-03  6.6710000000e-03  4.8110000000e-04 -1.3542000000e-03 -3.4116000000e-03  1.4693000000e-03 -3.5240000000e-03 -2.6566000000e-03  1.5109000000e-03  1.4001000000e-03  4.6523000000e-03 -8.8446000000e-03 -9.2800000000e-05  2.1853000000e-03
-
-JOB 24
-COORDS  7.1513800000e-01 -4.1650900000e-01 -1.0526060000e+00  6.0671700000e-01 -1.3652200000e+00 -1.1191210000e+00  1.5802790000e+00 -2.4709900000e-01 -1.4255200000e+00 -7.8680100000e-01  4.0645800000e-01  1.1052430000e+00 -8.6143600000e-01  1.3085130000e+00  1.4166250000e+00 -2.4654200000e-01  4.6841700000e-01  3.1751700000e-01
-ENERGY -1.526606500212e+02
-FORCES -1.7870000000e-04 -3.4538000000e-03  2.7776000000e-03  2.1412000000e-03  4.4250000000e-03 -1.2180000000e-03 -3.8725000000e-03 -1.4062000000e-03  1.5903000000e-03  5.9130000000e-03 -9.8920000000e-04 -8.1732000000e-03  1.6421000000e-03 -2.5964000000e-03 -2.3213000000e-03 -5.6452000000e-03  4.0205000000e-03  7.3446000000e-03
-
-JOB 25
-COORDS  4.2089100000e-01  1.2310670000e+00  2.7610600000e-01  1.2526090000e+00  1.2884120000e+00  7.4641300000e-01  1.9345500000e-01  2.1397400000e+00  7.9083000000e-02 -4.4593900000e-01 -1.3002740000e+00 -3.5705200000e-01 -7.1298600000e-01 -1.9326120000e+00  3.1008000000e-01 -4.3246800000e-01 -4.5973500000e-01  1.0070800000e-01
-ENERGY -1.526597367488e+02
-FORCES  1.9127000000e-03 -6.2760000000e-04 -1.2706000000e-03 -4.2785000000e-03  9.8590000000e-04 -1.7771000000e-03  2.2325000000e-03 -3.8532000000e-03  1.3326000000e-03  1.7787000000e-03  9.1018000000e-03  3.4228000000e-03  1.6445000000e-03  3.3839000000e-03 -1.2361000000e-03 -3.2900000000e-03 -8.9907000000e-03 -4.7170000000e-04
-
-JOB 26
-COORDS -9.3566800000e-01 -6.8270600000e-01  7.3690100000e-01 -1.8404560000e+00 -3.7152600000e-01  7.6443600000e-01 -9.5288200000e-01 -1.4166120000e+00  1.2263900000e-01  1.0463490000e+00  7.2409400000e-01 -6.7606100000e-01  8.1249200000e-01  6.7949200000e-01 -1.6031820000e+00  2.4654400000e-01  4.7222600000e-01 -2.1442700000e-01
-ENERGY -1.526595437371e+02
-FORCES -1.5449000000e-03 -3.6336000000e-03 -1.4637000000e-03  5.4308000000e-03 -1.0595000000e-03 -1.6276000000e-03 -4.4670000000e-04  5.4391000000e-03  2.1435000000e-03 -9.3518000000e-03 -4.7065000000e-03  4.9395000000e-03 -2.9050000000e-04 -1.0417000000e-03  3.3741000000e-03  6.2031000000e-03  5.0023000000e-03 -7.3657000000e-03
-
-JOB 27
-COORDS  2.2013000000e-01  3.5695900000e-01  1.3770190000e+00 -1.2508600000e-01 -9.9282000000e-02  6.0962000000e-01  2.3372400000e-01 -3.0788500000e-01  2.0655160000e+00 -1.3526400000e-01 -2.9204800000e-01 -1.3685260000e+00 -6.8431500000e-01  4.9050700000e-01 -1.4173260000e+00 -7.5582200000e-01 -1.0208380000e+00 -1.3661620000e+00
-ENERGY -1.526574016581e+02
-FORCES  5.8310000000e-04 -4.9767000000e-03 -8.4239000000e-03 -3.9371000000e-03  2.2796000000e-03  9.2154000000e-03 -5.3400000000e-04  1.2933000000e-03 -3.7903000000e-03 -2.6240000000e-03  2.5589000000e-03 -3.5042000000e-03  2.7612000000e-03 -5.5249000000e-03  2.6052000000e-03  3.7508000000e-03  4.3698000000e-03  3.8978000000e-03
-
-JOB 28
-COORDS -4.2305300000e-01 -8.8749100000e-01  9.7145100000e-01 -3.3359900000e-01 -4.5060200000e-01  1.8184210000e+00  1.8185600000e-01 -1.6278470000e+00  1.0182360000e+00  4.1168400000e-01  8.7677100000e-01 -1.0743270000e+00  2.5151700000e-01  1.8070220000e+00 -9.1554900000e-01  8.4233000000e-02  4.3931200000e-01 -2.8842800000e-01
-ENERGY -1.526605324515e+02
-FORCES  3.5778000000e-03 -3.0708000000e-03  1.5356000000e-03  3.2920000000e-04 -7.6570000000e-04 -5.7342000000e-03 -3.3131000000e-03  3.9922000000e-03  9.3200000000e-04 -4.7359000000e-03 -5.6013000000e-03  8.0321000000e-03  7.5200000000e-05 -3.5512000000e-03  1.2509000000e-03  4.0668000000e-03  8.9968000000e-03 -6.0164000000e-03
-
-JOB 29
-COORDS -9.8886500000e-01 -6.3421500000e-01  7.5040300000e-01 -1.5902040000e+00 -9.5552600000e-01  7.8554000000e-02 -1.4618190000e+00  8.2879000000e-02  1.1726860000e+00  1.0698150000e+00  6.7895600000e-01 -7.2271200000e-01  4.8702300000e-01  1.2809600000e-01 -2.0008700000e-01  1.2962820000e+00  1.3838000000e-01 -1.4794960000e+00
-ENERGY -1.526611650392e+02
-FORCES -4.5266000000e-03  3.1473000000e-03 -1.0498000000e-03  3.8088000000e-03  2.0142000000e-03  2.8674000000e-03  2.1794000000e-03 -4.0309000000e-03 -2.6705000000e-03 -6.8042000000e-03 -7.5840000000e-03  5.0772000000e-03  7.2395000000e-03  5.4008000000e-03 -6.6652000000e-03 -1.8968000000e-03  1.0526000000e-03  2.4409000000e-03
-
-JOB 30
-COORDS -5.9888800000e-01  2.7342200000e-01 -1.2325970000e+00 -8.3005400000e-01  1.1978190000e+00 -1.3236130000e+00 -1.4161220000e+00 -1.5426000000e-01 -9.7676800000e-01  7.3181400000e-01 -3.0732800000e-01  1.2437710000e+00  3.8295300000e-01 -8.7501000000e-02  3.7994000000e-01 -4.3241000000e-02 -4.7205400000e-01  1.7807870000e+00
-ENERGY -1.526599223548e+02
-FORCES -4.1512000000e-03  2.2969000000e-03 -4.0160000000e-04  6.8660000000e-04 -5.2546000000e-03  1.1488000000e-03  5.2754000000e-03  2.6890000000e-03  9.6590000000e-04 -6.4028000000e-03  2.2395000000e-03 -9.3876000000e-03  3.0256000000e-03 -2.4972000000e-03  1.0119600000e-02  1.5665000000e-03  5.2650000000e-04 -2.4451000000e-03
-
-JOB 31
-COORDS  1.2315780000e+00 -6.0360200000e-01  2.5051400000e-01  2.1420560000e+00 -3.3994500000e-01  1.1729600000e-01  9.8910300000e-01 -1.0480010000e+00 -5.6185700000e-01 -1.3002560000e+00  5.8457600000e-01 -2.4672500000e-01 -1.5892110000e+00  1.3763380000e+00  2.0698100000e-01 -5.0053600000e-01  3.2435500000e-01  2.1040100000e-01
-ENERGY -1.526611763788e+02
-FORCES  2.2104000000e-03  2.8000000000e-04 -4.9211000000e-03 -3.7911000000e-03 -2.0407000000e-03 -5.4000000000e-05  1.0868000000e-03  3.2724000000e-03  5.0013000000e-03  7.7362000000e-03 -5.2450000000e-04  4.7764000000e-03  1.9291000000e-03 -2.4165000000e-03 -1.0072000000e-03 -9.1715000000e-03  1.4293000000e-03 -3.7955000000e-03
-
-JOB 32
-COORDS -8.9541900000e-01 -1.1500250000e+00 -2.6510000000e-02 -4.0362500000e-01 -3.3236000000e-01  4.9620000000e-02 -1.7530170000e+00 -8.8425600000e-01 -3.5836000000e-01  8.5490500000e-01  1.0965720000e+00  5.3121000000e-02  1.2970950000e+00  1.2933400000e+00 -7.7270100000e-01  1.5521730000e+00  7.8582100000e-01  6.3060100000e-01
-ENERGY -1.526618779585e+02
-FORCES  4.1621000000e-03  1.0526700000e-02 -4.4340000000e-04 -5.9024000000e-03 -9.2727000000e-03  1.0256000000e-03  2.9831000000e-03 -1.3830000000e-04  5.4200000000e-04  4.2970000000e-03 -1.5428000000e-03 -1.9789000000e-03 -1.6069000000e-03 -6.9780000000e-04  4.5063000000e-03 -3.9329000000e-03  1.1249000000e-03 -3.6516000000e-03
-
-JOB 33
-COORDS  1.4028190000e+00 -4.0419900000e-01 -1.7888400000e-01  1.3004320000e+00 -1.3491710000e+00 -6.5847000000e-02  5.3576100000e-01 -4.4715000000e-02  8.7640000000e-03 -1.3344620000e+00  4.0653000000e-01  2.2971200000e-01 -1.1606300000e+00  1.3010920000e+00 -6.3159000000e-02 -1.7297780000e+00 -2.1987000000e-02 -5.2945200000e-01
-ENERGY -1.526600720586e+02
-FORCES -1.1713800000e-02 -4.4670000000e-04  4.2677000000e-03  2.3590000000e-04  2.5914000000e-03 -1.0577000000e-03  9.4635000000e-03  6.8020000000e-04 -4.2037000000e-03 -2.9795000000e-03  1.7520000000e-03 -4.3716000000e-03  1.7309000000e-03 -6.5441000000e-03  1.2810000000e-03  3.2629000000e-03  1.9673000000e-03  4.0843000000e-03
-
-JOB 34
-COORDS -1.3434080000e+00 -5.4235700000e-01 -3.0920900000e-01 -4.3034000000e-01 -3.2857300000e-01 -1.1728500000e-01 -1.8238500000e+00  2.6305800000e-01 -1.1759600000e-01  1.2688970000e+00  4.4577600000e-01  3.1767500000e-01  1.8481480000e+00  9.2169000000e-02 -3.5735300000e-01  1.5405620000e+00  1.3586630000e+00  4.1289300000e-01
-ENERGY -1.526604075364e+02
-FORCES  9.0389000000e-03  7.2794000000e-03  4.3060000000e-03 -6.4721000000e-03 -5.6702000000e-03 -4.0869000000e-03  7.7110000000e-04 -2.1289000000e-03 -7.2120000000e-04  1.1437000000e-03  3.0779000000e-03 -1.8979000000e-03 -4.1503000000e-03  1.9379000000e-03  3.2679000000e-03 -3.3120000000e-04 -4.4960000000e-03 -8.6790000000e-04
-
-JOB 35
-COORDS -9.4920200000e-01 -8.2288100000e-01 -6.7148600000e-01 -8.0586600000e-01 -4.3134200000e-01 -1.5331030000e+00 -3.6624400000e-01 -1.5818560000e+00 -6.5279200000e-01  9.4592100000e-01  8.2149700000e-01  7.7473800000e-01  1.4625300000e-01  4.2628200000e-01  4.2750900000e-01  1.0917330000e+00  1.5910870000e+00  2.2455600000e-01
-ENERGY -1.526602759886e+02
-FORCES  4.0594000000e-03 -3.4847000000e-03 -4.0720000000e-03  2.0710000000e-04 -6.2140000000e-04  5.3223000000e-03 -3.1617000000e-03  4.5113000000e-03 -2.6580000000e-04 -8.3146000000e-03 -3.0039000000e-03 -5.5030000000e-03  8.1282000000e-03  5.7201000000e-03  3.7598000000e-03 -9.1840000000e-04 -3.1214000000e-03  7.5860000000e-04
-
-JOB 36
-COORDS -3.3085300000e-01 -1.2462310000e+00  7.2048500000e-01  1.6270000000e-02 -4.3524300000e-01  3.4895200000e-01 -9.1335100000e-01 -1.5903690000e+00  4.3362000000e-02  3.8154100000e-01  1.1841870000e+00 -6.2567100000e-01  3.5194000000e-02  9.9990700000e-01 -1.4987780000e+00  6.7412000000e-02  2.0655960000e+00 -4.2399200000e-01
-ENERGY -1.526601541062e+02
-FORCES  1.6011000000e-03  9.2917000000e-03 -6.2114000000e-03 -2.4998000000e-03 -9.3649000000e-03  3.0041000000e-03  1.8264000000e-03  1.4542000000e-03  1.3077000000e-03 -3.1144000000e-03  2.6993000000e-03 -9.8080000000e-04  7.6540000000e-04 -8.9000000000e-06  5.2576000000e-03  1.4212000000e-03 -4.0714000000e-03 -2.3771000000e-03
-
-JOB 37
-COORDS  4.0147000000e-02 -1.2387570000e+00 -6.7068800000e-01 -6.8301100000e-01 -1.8652130000e+00 -6.4194100000e-01 -6.0655000000e-02 -7.9432900000e-01 -1.5124450000e+00 -2.8170000000e-02  1.3061520000e+00  6.9958300000e-01  7.7894500000e-01  1.2222450000e+00  1.2072800000e+00 -2.5567500000e-01  4.0769700000e-01  4.6030800000e-01
-ENERGY -1.526609218759e+02
-FORCES -9.6470000000e-04 -6.4630000000e-04 -5.2547000000e-03  3.1323000000e-03  4.3527000000e-03  2.8060000000e-04 -4.9140000000e-04 -2.5883000000e-03  5.1475000000e-03  3.0872000000e-03 -1.0698400000e-02 -1.8388000000e-03 -2.4327000000e-03  8.1380000000e-04 -1.3353000000e-03 -2.3308000000e-03  8.7665000000e-03  3.0008000000e-03
-
-JOB 38
-COORDS -4.3855200000e-01  7.8665100000e-01  1.1730340000e+00 -2.6074700000e-01  2.0141400000e-01  4.3674900000e-01 -9.8259000000e-01  1.4811400000e+00  8.0163200000e-01  4.2122300000e-01 -7.7433300000e-01 -1.0494070000e+00  1.0093030000e+00 -2.4911100000e-01 -1.5921190000e+00  4.4219600000e-01 -1.6451730000e+00 -1.4461820000e+00
-ENERGY -1.526612274796e+02
-FORCES  6.3080000000e-04 -5.0577000000e-03 -8.5634000000e-03 -2.2941000000e-03  6.6700000000e-03  6.5446000000e-03  2.1670000000e-03 -2.0400000000e-03  4.7620000000e-04  1.7130000000e-03 -1.0202000000e-03 -7.4770000000e-04 -3.3087000000e-03 -3.0848000000e-03  1.9156000000e-03  1.0919000000e-03  4.5328000000e-03  3.7470000000e-04
-
-JOB 39
-COORDS  1.4108010000e+00 -4.3482900000e-01  8.1285000000e-02  1.3159670000e+00 -1.2502540000e+00  5.7354600000e-01  5.7757300000e-01 -3.3404100000e-01 -3.7893700000e-01 -1.3215420000e+00  4.8051100000e-01 -2.0184000000e-02 -1.5846940000e+00 -3.3057700000e-01 -4.5506300000e-01 -1.6511210000e+00  1.1758830000e+00 -5.8945200000e-01
-ENERGY -1.526546053747e+02
-FORCES -9.8632000000e-03  2.1117000000e-03  2.0939000000e-03 -2.0220000000e-04  2.5225000000e-03 -2.2480000000e-03  4.8103000000e-03 -5.8603000000e-03 -2.7237000000e-03 -3.0908000000e-03  1.7045000000e-03 -1.6176000000e-03  6.3606000000e-03  3.5165000000e-03  1.8304000000e-03  1.9854000000e-03 -3.9949000000e-03  2.6650000000e-03
-
-JOB 40
-COORDS -5.4300800000e-01 -1.0063740000e+00  7.7225700000e-01 -6.6714500000e-01 -1.6572920000e+00  8.1513000000e-02 -9.1260100000e-01 -1.4140950000e+00  1.5554540000e+00  5.5812800000e-01  1.1319120000e+00 -7.6335400000e-01  1.3204690000e+00  7.8357400000e-01 -1.2256620000e+00  3.1570000000e-02  3.6057500000e-01 -5.5357200000e-01
-ENERGY -1.526562219380e+02
-FORCES -1.4408000000e-03 -1.4135000000e-03  3.2339000000e-03  1.7487000000e-03  6.1560000000e-03  1.7059000000e-03  1.9142000000e-03  4.0800000000e-04 -4.0622000000e-03 -1.1580000000e-03 -7.1986000000e-03  5.4015000000e-03 -3.0184000000e-03  4.1710000000e-04  1.4583000000e-03  1.9544000000e-03  1.6309000000e-03 -7.7375000000e-03
-
-JOB 41
-COORDS  7.8538100000e-01 -8.4927400000e-01  8.3589000000e-01  8.5211700000e-01 -5.7688500000e-01  1.7510850000e+00 -2.6388000000e-02 -1.3547970000e+00  7.9454000000e-01 -8.1298500000e-01  8.7079300000e-01 -8.6665900000e-01 -3.3729200000e-01  1.2714630000e+00 -1.5942650000e+00 -1.5819400000e-01  3.3669900000e-01 -4.1696500000e-01
-ENERGY -1.526611645027e+02
-FORCES -2.3996000000e-03 -1.0966000000e-03  5.5864000000e-03 -5.5230000000e-04 -2.1098000000e-03 -4.3164000000e-03  4.1559000000e-03  5.5004000000e-03 -1.4032000000e-03  8.4851000000e-03 -3.2622000000e-03  3.2175000000e-03 -9.5390000000e-04 -1.4751000000e-03  2.6856000000e-03 -8.7352000000e-03  2.4434000000e-03 -5.7700000000e-03
-
-JOB 42
-COORDS  5.9242500000e-01  1.3308850000e+00  4.8083000000e-02  1.0272000000e-01  5.9417700000e-01 -3.1754200000e-01  9.1195100000e-01  1.8098180000e+00 -7.1661200000e-01 -5.4681800000e-01 -1.2788850000e+00  5.8809000000e-02 -2.5931100000e-01 -1.8649370000e+00 -6.4127300000e-01 -1.5020300000e+00 -1.3389620000e+00  4.4945000000e-02
-ENERGY -1.526589262973e+02
-FORCES -3.3619000000e-03 -7.7546000000e-03 -1.5654000000e-03  3.2588000000e-03  9.8910000000e-03 -2.4858000000e-03 -1.5734000000e-03 -3.2864000000e-03  1.9972000000e-03 -1.9326000000e-03 -4.1851000000e-03  9.4200000000e-05 -1.6817000000e-03  4.3754000000e-03  2.8081000000e-03  5.2908000000e-03  9.5970000000e-04 -8.4830000000e-04
-
-JOB 43
-COORDS -2.5987500000e-01 -3.7990400000e-01 -1.4332030000e+00  5.6423200000e-01 -3.7740100000e-01 -9.4630100000e-01 -8.2238000000e-01  2.3014100000e-01 -9.5606200000e-01  3.0969000000e-01  3.6302000000e-01  1.4047100000e+00 -2.3200300000e-01  8.6737500000e-01  7.9772900000e-01 -2.2624100000e-01 -3.9757100000e-01  1.6294580000e+00
-ENERGY -1.526519722585e+02
-FORCES  3.7107000000e-03  2.4388000000e-03  7.3299000000e-03 -4.0908000000e-03 -2.2070000000e-04 -4.3503000000e-03  1.9940000000e-03 -1.3590000000e-04  2.4752000000e-03 -5.8805000000e-03 -2.2522000000e-03 -1.4069000000e-03  1.4847000000e-03 -3.8177000000e-03 -2.6843000000e-03  2.7818000000e-03  3.9877000000e-03 -1.3635000000e-03
-
-JOB 44
-COORDS -8.2503600000e-01 -9.7970700000e-01  6.1900900000e-01 -4.7917200000e-01 -1.2475970000e+00  1.4703880000e+00 -1.5267310000e+00 -3.6320000000e-01  8.2823700000e-01  8.4252600000e-01  1.0010700000e+00 -7.3924300000e-01  2.7240400000e-01  2.6773800000e-01 -5.0812300000e-01  1.4782310000e+00  1.0452050000e+00 -2.4986000000e-02
-ENERGY -1.526603073160e+02
-FORCES -1.2553000000e-03  1.2061000000e-03  5.1770000000e-03 -1.7933000000e-03  1.9737000000e-03 -3.8868000000e-03  4.7814000000e-03 -2.7612000000e-03 -1.4271000000e-03 -3.1751000000e-03 -8.6973000000e-03  6.6455000000e-03  3.0987000000e-03  7.9071000000e-03 -4.6542000000e-03 -1.6565000000e-03  3.7170000000e-04 -1.8545000000e-03
-
-JOB 45
-COORDS -1.0703300000e+00  7.0665700000e-01  7.6812800000e-01 -3.6474800000e-01  2.0817600000e-01  3.5593400000e-01 -6.6776400000e-01  1.0950000000e+00  1.5448920000e+00  9.7970400000e-01 -6.4848300000e-01 -7.4504300000e-01  5.6500200000e-01 -1.4571960000e+00 -1.0454400000e+00  1.8571390000e+00 -6.7256000000e-01 -1.1268280000e+00
-ENERGY -1.526607634872e+02
-FORCES  9.0992000000e-03 -2.3864000000e-03 -2.5623000000e-03 -8.1739000000e-03  1.1312000000e-03  4.3674000000e-03 -1.0151000000e-03 -1.0180000000e-03 -2.3760000000e-03  1.8545000000e-03 -5.3800000000e-04 -2.2009000000e-03  2.2383000000e-03  4.3891000000e-03  1.8779000000e-03 -4.0030000000e-03 -1.5779000000e-03  8.9390000000e-04
-
-JOB 46
-COORDS -8.4364800000e-01  4.4761000000e-01 -1.1581730000e+00 -2.5262100000e-01  5.0390500000e-01 -1.9090060000e+00 -2.9264400000e-01  1.3135100000e-01 -4.4220800000e-01  7.2115500000e-01 -3.9904500000e-01  1.1548640000e+00  1.5998320000e+00 -1.9411000000e-02  1.1609500000e+00  8.6592200000e-01 -1.3406950000e+00  1.2474350000e+00
-ENERGY -1.526611425399e+02
-FORCES  6.7769000000e-03 -2.8720000000e-03  6.5417000000e-03 -1.1073000000e-03 -3.3390000000e-04  2.9023000000e-03 -4.9898000000e-03  2.8517000000e-03 -9.6016000000e-03  3.7589000000e-03 -2.2069000000e-03  2.0931000000e-03 -4.4261000000e-03 -2.5563000000e-03 -9.9840000000e-04 -1.2600000000e-05  5.1174000000e-03 -9.3720000000e-04
-
-JOB 47
-COORDS -1.1623590000e+00 -8.4444200000e-01  1.1921200000e-01 -1.7753720000e+00 -2.4224200000e-01  5.4087700000e-01 -1.4524050000e+00 -8.8299900000e-01 -7.9217100000e-01  1.2372260000e+00  8.5152900000e-01 -4.2627000000e-02  1.5971300000e+00  7.7310900000e-01 -9.2611500000e-01  4.9454300000e-01  2.4776500000e-01 -3.1570000000e-02
-ENERGY -1.526608113008e+02
-FORCES -6.0645000000e-03  1.2215000000e-03 -7.2340000000e-04  3.7554000000e-03 -2.9400000000e-03 -2.9452000000e-03  3.0411000000e-03  1.3571000000e-03  4.5111000000e-03 -6.4114000000e-03 -7.3726000000e-03 -1.1773000000e-03 -2.1578000000e-03 -1.7380000000e-04  2.4453000000e-03  7.8372000000e-03  7.9079000000e-03 -2.1104000000e-03
-
-JOB 48
-COORDS -2.5947800000e-01 -9.7827800000e-01 -1.1143440000e+00  5.5839500000e-01 -1.1586560000e+00 -1.5777860000e+00  1.3810000000e-02 -5.5018700000e-01 -3.0299700000e-01  1.9208700000e-01  8.9292200000e-01  1.0813920000e+00  8.9426400000e-01  1.5010910000e+00  8.5050200000e-01 -4.8159300000e-01  1.4441720000e+00  1.4795270000e+00
-ENERGY -1.526605015682e+02
-FORCES  3.2191000000e-03  4.9203000000e-03  6.6494000000e-03 -2.1626000000e-03  1.5648000000e-03  1.9976000000e-03  3.4030000000e-04 -6.7222000000e-03 -7.7620000000e-03 -2.3404000000e-03  4.6786000000e-03 -5.5850000000e-04 -3.2311000000e-03 -3.1142000000e-03  9.3530000000e-04  4.1748000000e-03 -1.3273000000e-03 -1.2618000000e-03
-
-JOB 49
-COORDS -3.4903700000e-01 -1.3513380000e+00  2.3942400000e-01  2.6107800000e-01 -1.8331180000e+00 -3.1903800000e-01 -1.0813180000e+00 -1.9537010000e+00  3.7040100000e-01  3.6678700000e-01  1.4724010000e+00 -1.8443600000e-01 -7.7334000000e-02  6.9816300000e-01  1.6131600000e-01  6.5078000000e-01  1.2145600000e+00 -1.0614180000e+00
-ENERGY -1.526600226176e+02
-FORCES  1.7300000000e-04 -3.8221000000e-03 -1.4924000000e-03 -3.5373000000e-03  2.1610000000e-03  2.0366000000e-03  3.9385000000e-03  2.1367000000e-03 -1.0719000000e-03 -2.7920000000e-03 -9.7303000000e-03 -8.1350000000e-04  2.1627000000e-03  8.2679000000e-03 -8.9090000000e-04  5.5200000000e-05  9.8680000000e-04  2.2321000000e-03
-
-JOB 50
-COORDS  3.3479300000e-01 -1.3940690000e+00  3.3177500000e-01  1.1154410000e+00 -1.4547450000e+00 -2.1880500000e-01 -3.6097200000e-01 -1.7886370000e+00 -1.9401900000e-01 -3.4951100000e-01  1.4696800000e+00 -2.1848300000e-01 -5.4327300000e-01  1.5328060000e+00 -1.1537390000e+00  1.9159000000e-02  5.9321100000e-01 -1.0840300000e-01
-ENERGY -1.526590422125e+02
-FORCES -3.9500000000e-04 -6.1036000000e-03 -2.2122000000e-03 -5.3704000000e-03  3.1040000000e-03  2.0397000000e-03  4.1807000000e-03  3.3438000000e-03  1.7896000000e-03  1.6987000000e-03 -8.3449000000e-03  2.5200000000e-04  8.4410000000e-04 -1.4693000000e-03  3.1524000000e-03 -9.5810000000e-04  9.4701000000e-03 -5.0215000000e-03
-
-JOB 51
-COORDS  1.2008960000e+00 -7.9815500000e-01  1.9714400000e-01  1.7413160000e+00 -5.0796400000e-01  9.3197000000e-01  1.6514980000e+00 -4.6446100000e-01 -5.7863800000e-01 -1.2319010000e+00  8.2065000000e-01 -1.7559200000e-01 -8.5274900000e-01 -5.4392000000e-02 -9.3269000000e-02 -2.0844380000e+00  6.7517900000e-01 -5.8577500000e-01
-ENERGY -1.526600915024e+02
-FORCES  4.3815000000e-03  5.0066000000e-03  4.7250000000e-04 -1.3682000000e-03 -1.6749000000e-03 -3.5698000000e-03 -1.7963000000e-03 -2.2069000000e-03  3.5074000000e-03  2.5514000000e-03 -5.7326000000e-03  8.7860000000e-04 -7.6565000000e-03  5.0808000000e-03 -2.5419000000e-03  3.8880000000e-03 -4.7290000000e-04  1.2532000000e-03
-
-JOB 52
-COORDS  5.1836000000e-02 -7.8909300000e-01 -1.2606830000e+00  3.9164200000e-01  1.4130000000e-02 -1.6551410000e+00  8.3259500000e-01 -1.2967120000e+00 -1.0393900000e+00 -7.4781000000e-02  7.6718400000e-01  1.3216240000e+00 -6.8190900000e-01  1.4645300000e+00  1.0739630000e+00 -2.0626100000e-01  8.8256000000e-02  6.5980700000e-01
-ENERGY -1.526603786056e+02
-FORCES  6.1790000000e-03  1.0451000000e-03 -3.4754000000e-03 -2.3669000000e-03 -3.7675000000e-03  2.7055000000e-03 -4.4490000000e-03  3.1650000000e-03  2.7100000000e-05 -3.9791000000e-03 -3.5905000000e-03 -7.5197000000e-03  2.5642000000e-03 -1.9128000000e-03  3.3500000000e-04  2.0518000000e-03  5.0607000000e-03  7.9276000000e-03
-
-JOB 53
-COORDS  4.5171800000e-01  1.4644420000e+00  5.0586000000e-02  1.9497700000e-01  5.4466800000e-01 -1.5226000000e-02 -3.7491000000e-01  1.9465380000e+00  2.8185000000e-02 -4.1242700000e-01 -1.3763130000e+00 -5.2570000000e-02 -2.1552500000e-01 -2.0039430000e+00 -7.4794100000e-01 -1.8046700000e-01 -1.8332640000e+00  7.5589900000e-01
-ENERGY -1.526621926391e+02
-FORCES -5.5191000000e-03 -7.5567000000e-03 -1.0570000000e-03  3.3922000000e-03  9.7679000000e-03  1.3853000000e-03  2.4985000000e-03 -1.4140000000e-03  1.2120000000e-04  1.6408000000e-03 -4.9471000000e-03 -3.5200000000e-05 -1.0394000000e-03  2.1712000000e-03  4.0409000000e-03 -9.7310000000e-04  1.9787000000e-03 -4.4551000000e-03
-
-JOB 54
-COORDS  9.2910800000e-01 -2.8915600000e-01  1.1943830000e+00  4.7821000000e-01  4.9121000000e-02  4.2076100000e-01  1.1568880000e+00 -1.1900260000e+00  9.6464100000e-01 -8.8307200000e-01  2.6341300000e-01 -1.1721670000e+00 -7.4412000000e-01  1.2025960000e+00 -1.2940680000e+00 -1.5667540000e+00  2.0661300000e-01 -5.0464700000e-01
-ENERGY -1.526601463312e+02
-FORCES -2.8312000000e-03 -2.1462000000e-03 -9.3245000000e-03  2.9994000000e-03  1.1065000000e-03  8.7527000000e-03 -6.7200000000e-04  2.7017000000e-03  1.5721000000e-03 -5.7238000000e-03  3.3108000000e-03 -7.5540000000e-04  5.1620000000e-04 -5.4331000000e-03  2.4295000000e-03  5.7114000000e-03  4.6030000000e-04 -2.6744000000e-03
-
-JOB 55
-COORDS  1.6223200000e-01  1.7942400000e-01 -1.5108930000e+00 -1.5415400000e-01 -5.3776000000e-01 -2.0602370000e+00 -5.0030000000e-02 -9.0923000000e-02 -6.1753500000e-01 -1.4954700000e-01 -5.4421000000e-02  1.4598620000e+00 -7.2013600000e-01 -7.7418600000e-01  1.7293010000e+00  7.3449800000e-01 -3.5999000000e-01  1.6631470000e+00
-ENERGY -1.526601186465e+02
-FORCES -2.8417000000e-03 -1.9336000000e-03  6.9753000000e-03  8.1800000000e-04  1.9448000000e-03  3.0314000000e-03  2.1350000000e-03 -1.6757000000e-03 -1.0785600000e-02  1.8732000000e-03 -2.3115000000e-03  5.9462000000e-03  3.2583000000e-03  3.1740000000e-03 -3.0382000000e-03 -5.2427000000e-03  8.0190000000e-04 -2.1292000000e-03
-
-JOB 56
-COORDS  1.1723340000e+00  6.8486900000e-01  5.5481000000e-01  1.1664280000e+00  1.5382630000e+00  9.8830300000e-01  1.6224730000e+00  1.0619400000e-01  1.1702290000e+00 -1.1978060000e+00 -7.4112000000e-01 -6.7385300000e-01 -4.5783800000e-01 -2.6612100000e-01 -2.9562600000e-01 -1.9381170000e+00 -5.2200200000e-01 -1.0802900000e-01
-ENERGY -1.526613381293e+02
-FORCES  3.2064000000e-03  2.0834000000e-03  4.1718000000e-03  3.5500000000e-04 -4.4296000000e-03 -1.2721000000e-03 -2.6742000000e-03  3.3227000000e-03 -2.6413000000e-03  4.5738000000e-03  5.4651000000e-03  4.8670000000e-03 -7.8117000000e-03 -5.8673000000e-03 -3.5478000000e-03  2.3508000000e-03 -5.7430000000e-04 -1.5777000000e-03
-
-JOB 57
-COORDS -9.2741600000e-01 -8.8675300000e-01  8.9135200000e-01 -9.0503700000e-01 -3.7051300000e-01  1.6970980000e+00 -6.1374200000e-01 -2.8779300000e-01  2.1379100000e-01  9.3340900000e-01  8.0407700000e-01 -8.4317800000e-01  4.1204000000e-01  1.5825870000e+00 -1.0389540000e+00  1.0106010000e+00  3.4972700000e-01 -1.6821300000e+00
-ENERGY -1.526589930490e+02
-FORCES  6.5651000000e-03  6.5844000000e-03 -1.8279000000e-03 -7.5450000000e-04 -1.5559000000e-03 -2.5238000000e-03 -7.8477000000e-03 -3.9573000000e-03  3.2144000000e-03  2.5681000000e-03  1.8845000000e-03 -5.6693000000e-03  9.4420000000e-04 -5.4447000000e-03  2.2796000000e-03 -1.4752000000e-03  2.4889000000e-03  4.5271000000e-03
-
-JOB 58
-COORDS  8.4229200000e-01  4.3020300000e-01 -1.2078900000e+00  1.5585000000e-01 -1.5824400000e-01 -8.9363000000e-01  1.2420740000e+00 -3.7404000000e-02 -1.9412040000e+00 -8.2193900000e-01 -3.1090600000e-01  1.2081260000e+00 -1.5318800000e-01 -8.3682600000e-01  1.6467730000e+00 -1.5919590000e+00 -8.7868300000e-01  1.1776470000e+00
-ENERGY -1.526575389865e+02
-FORCES -4.0303000000e-03 -3.1214000000e-03  1.8180000000e-03  5.3585000000e-03  6.1560000000e-04 -6.8116000000e-03 -1.9979000000e-03  1.0414000000e-03  3.5925000000e-03  8.3000000000e-05 -2.6899000000e-03  5.7449000000e-03 -3.7954000000e-03  1.6921000000e-03 -2.8889000000e-03  4.3820000000e-03  2.4622000000e-03 -1.4550000000e-03
-
-JOB 59
-COORDS -2.1249700000e-01  5.9503700000e-01 -1.4228040000e+00  6.7482300000e-01  2.3603300000e-01 -1.4193420000e+00 -7.8050600000e-01 -1.6988600000e-01 -1.5149500000e+00  1.3963400000e-01 -5.6505400000e-01  1.4487490000e+00  9.9624000000e-01 -4.8850000000e-01  1.8689840000e+00  1.9928000000e-01 -9.1800000000e-04  6.7776000000e-01
-ENERGY -1.526581434524e+02
-FORCES -6.1850000000e-04 -5.4030000000e-03 -5.0000000000e-03 -4.5920000000e-03  2.3418000000e-03  4.2359000000e-03  3.4055000000e-03  4.3879000000e-03  1.0478000000e-03  1.2526000000e-03  5.2299000000e-03 -2.7510000000e-03 -2.9137000000e-03 -5.8400000000e-05 -2.8285000000e-03  3.4661000000e-03 -6.4980000000e-03  5.2958000000e-03
-
-JOB 60
-COORDS -9.5534500000e-01  1.0921050000e+00  6.6862500000e-01 -4.7493500000e-01  4.6198700000e-01  1.3160600000e-01 -7.0409900000e-01  1.9467460000e+00  3.1834500000e-01  9.1222000000e-01 -1.0757540000e+00 -5.5799600000e-01  5.4879400000e-01 -1.9294240000e+00 -7.9337200000e-01  1.2409110000e+00 -7.1906500000e-01 -1.3832030000e+00
-ENERGY -1.526598856600e+02
-FORCES  5.7165000000e-03 -3.1280000000e-03 -3.5817000000e-03 -6.3899000000e-03  7.8058000000e-03  2.0705000000e-03 -5.2550000000e-04 -3.1321000000e-03  6.1340000000e-04  2.0666000000e-03 -5.3043000000e-03 -4.0884000000e-03  2.0028000000e-03  4.4311000000e-03  6.1050000000e-04 -2.8706000000e-03 -6.7250000000e-04  4.3757000000e-03
-
-JOB 61
-COORDS  1.0269000000e-01 -1.3969880000e+00 -8.2493800000e-01  4.6296700000e-01 -1.6769610000e+00  1.6517000000e-02 -1.7428000000e-01 -4.9252700000e-01 -6.7841100000e-01 -1.5410300000e-01  1.3979100000e+00  7.2308400000e-01  7.9024700000e-01  1.2693000000e+00  6.3423000000e-01 -3.8734200000e-01  9.2111700000e-01  1.5196390000e+00
-ENERGY -1.526576074310e+02
-FORCES -1.5777000000e-03  5.2258000000e-03  4.5622000000e-03 -7.7300000000e-04  1.4107000000e-03 -2.5486000000e-03  3.1456000000e-03 -7.1892000000e-03 -2.3888000000e-03  3.2581000000e-03  9.0730000000e-04  5.5922000000e-03 -5.6761000000e-03 -1.3973000000e-03 -4.1400000000e-04  1.6232000000e-03  1.0427000000e-03 -4.8031000000e-03
-
-JOB 62
-COORDS -8.7301000000e-01 -1.2018410000e+00  5.2541200000e-01 -4.0547600000e-01 -2.0268130000e+00  3.9477900000e-01 -6.8934400000e-01 -9.6317400000e-01  1.4340030000e+00  8.0632400000e-01  1.2067850000e+00 -6.2400200000e-01  4.2039500000e-01  1.2460770000e+00  2.5106700000e-01  1.6460400000e+00  1.6578290000e+00 -5.3642900000e-01
-ENERGY -1.526525483356e+02
-FORCES  4.0566000000e-03 -3.4799000000e-03  9.8780000000e-04 -2.6005000000e-03  2.8508000000e-03  1.2445000000e-03 -1.9920000000e-04  1.1318000000e-03 -4.2343000000e-03 -6.7200000000e-04  4.3880000000e-04  4.2868000000e-03  2.8740000000e-03  1.8628000000e-03 -2.0953000000e-03 -3.4588000000e-03 -2.8044000000e-03 -1.8960000000e-04
-
-JOB 63
-COORDS -1.4199270000e+00  5.6653600000e-01  5.6795500000e-01 -1.3532770000e+00  1.1254230000e+00  1.3421870000e+00 -5.2087900000e-01  4.9136600000e-01  2.4812100000e-01  1.3420770000e+00 -5.7872400000e-01 -5.3631700000e-01  2.2169470000e+00 -3.5638000000e-01 -8.5474700000e-01  9.3987300000e-01 -1.0624830000e+00 -1.2577330000e+00
-ENERGY -1.526603417263e+02
-FORCES  6.8039000000e-03  4.0430000000e-04  1.2561000000e-03 -1.9440000000e-04 -1.6681000000e-03 -2.6461000000e-03 -8.7182000000e-03  2.4117000000e-03  1.7537000000e-03  3.8324000000e-03 -2.7406000000e-03 -4.8133000000e-03 -3.8429000000e-03 -1.5620000000e-03  1.0945000000e-03  2.1193000000e-03  3.1547000000e-03  3.3551000000e-03
-
-JOB 64
-COORDS -7.9220500000e-01 -1.0750390000e+00  8.0670800000e-01 -1.6336370000e+00 -1.3603890000e+00  4.5061800000e-01 -9.6845300000e-01 -9.0504000000e-01  1.7320560000e+00  8.6926000000e-01  1.0907260000e+00 -9.0107900000e-01  9.8906100000e-01  1.6776980000e+00 -1.5452400000e-01  4.2285200000e-01  3.2658000000e-01 -5.3634200000e-01
-ENERGY -1.526602700339e+02
-FORCES -5.2313000000e-03 -1.6249000000e-03  3.6223000000e-03  3.8783000000e-03  1.4112000000e-03  2.0359000000e-03  3.7750000000e-04 -7.7770000000e-04 -4.2197000000e-03 -3.1180000000e-03 -3.5895000000e-03  6.4772000000e-03 -8.9000000000e-05 -1.2894000000e-03 -2.4958000000e-03  4.1825000000e-03  5.8704000000e-03 -5.4198000000e-03
-
-JOB 65
-COORDS  3.1185800000e-01 -1.6107590000e+00 -1.7734200000e-01  7.1140000000e-02 -8.7031200000e-01  3.7945700000e-01  1.0492460000e+00 -2.0210460000e+00  2.7449500000e-01 -3.8903800000e-01  1.5527940000e+00  8.3148000000e-02  3.7698700000e-01  1.2608760000e+00  5.7733500000e-01 -3.6156600000e-01  2.5079140000e+00  1.3992100000e-01
-ENERGY -1.526530701438e+02
-FORCES -2.4520000000e-04  1.4394000000e-03  3.0295000000e-03  4.5922000000e-03 -2.4882000000e-03 -4.2100000000e-04 -2.9083000000e-03  2.6289000000e-03 -1.8522000000e-03  3.4236000000e-03  5.0787000000e-03  8.2020000000e-04 -4.9957000000e-03 -2.4840000000e-03 -1.1032000000e-03  1.3350000000e-04 -4.1749000000e-03 -4.7330000000e-04
-
-JOB 66
-COORDS -2.3072600000e-01 -1.6198890000e+00  2.0398000000e-01  4.7976200000e-01 -1.6874650000e+00  8.4184600000e-01 -9.1004200000e-01 -1.1174170000e+00  6.5373900000e-01  1.9576600000e-01  1.5886660000e+00 -2.1019400000e-01 -3.1003000000e-02  2.1652650000e+00 -9.3981200000e-01  9.9570200000e-01  1.1460400000e+00 -4.9377200000e-01
-ENERGY -1.526558729724e+02
-FORCES -1.3160000000e-03  4.4113000000e-03  4.6125000000e-03 -1.9859000000e-03  3.9390000000e-04 -3.1078000000e-03  2.0367000000e-03 -4.5280000000e-03 -1.0318000000e-03  2.4937000000e-03 -1.4765000000e-03 -5.2320000000e-03  8.3050000000e-04 -2.3495000000e-03  2.9160000000e-03 -2.0591000000e-03  3.5487000000e-03  1.8430000000e-03
-
-JOB 67
-COORDS -7.9686100000e-01 -6.1131300000e-01 -1.2697330000e+00 -1.3051360000e+00 -1.0914300000e+00 -6.1599300000e-01 -1.4425680000e+00 -7.3783000000e-02 -1.7283780000e+00  8.5962300000e-01  6.6871200000e-01  1.2620070000e+00  1.4515450000e+00  5.6861000000e-02  1.6996130000e+00  2.4979900000e-01  1.0976000000e-01  7.8042700000e-01
-ENERGY -1.526566490390e+02
-FORCES -6.0841000000e-03  7.4080000000e-04 -3.2433000000e-03  4.6474000000e-03  3.7869000000e-03 -7.7600000000e-04  2.6064000000e-03 -3.1985000000e-03  1.9925000000e-03 -1.7880000000e-04 -4.6470000000e-03 -3.8303000000e-03 -2.5899000000e-03  2.0358000000e-03 -1.5943000000e-03  1.5992000000e-03  1.2821000000e-03  7.4513000000e-03
-
-JOB 68
-COORDS  9.1577300000e-01 -4.5964200000e-01  1.2972460000e+00  1.3868120000e+00  3.0586800000e-01  1.6264090000e+00  1.5293030000e+00 -8.7734600000e-01  6.9281500000e-01 -9.5192000000e-01  4.9601600000e-01 -1.2547280000e+00 -5.4306600000e-01 -3.6872700000e-01 -1.2906550000e+00 -1.8026840000e+00  3.7695800000e-01 -1.6769340000e+00
-ENERGY -1.526533531265e+02
-FORCES  3.9392000000e-03  3.7963000000e-03 -7.6650000000e-04 -1.2915000000e-03 -3.7698000000e-03 -6.5480000000e-04 -3.6620000000e-03  1.1899000000e-03  1.3601000000e-03 -1.3559000000e-03 -4.9376000000e-03  4.6010000000e-04 -1.0873000000e-03  3.1583000000e-03 -2.3585000000e-03  3.4574000000e-03  5.6290000000e-04  1.9595000000e-03
-
-JOB 69
-COORDS -4.2413000000e-02 -7.3872300000e-01  1.5782660000e+00 -3.0025400000e-01  8.9716000000e-02  1.1739900000e+00  6.6142500000e-01 -1.0693290000e+00  1.0201050000e+00  5.0792000000e-02  6.8635900000e-01 -1.4822600000e+00 -4.1482100000e-01  2.9230800000e-01 -2.2199320000e+00 -1.8824100000e-01  1.6126620000e+00 -1.5147930000e+00
-ENERGY -1.526578937725e+02
-FORCES  2.1146000000e-03  3.0087000000e-03 -7.4872000000e-03 -1.4670000000e-04 -2.0834000000e-03  4.9967000000e-03 -1.9100000000e-03 -5.2990000000e-04  3.7396000000e-03 -3.0111000000e-03  1.7977000000e-03 -5.2294000000e-03  2.2715000000e-03  2.1533000000e-03  2.9596000000e-03  6.8180000000e-04 -4.3464000000e-03  1.0206000000e-03
-
-JOB 70
-COORDS -4.5747000000e-01 -1.5981040000e+00  6.2080900000e-01 -1.6720700000e-01 -2.1868500000e+00 -7.5867000000e-02 -1.0839130000e+00 -1.0128890000e+00  1.9498700000e-01  4.2408300000e-01  1.6291080000e+00 -5.7474500000e-01  5.7182100000e-01  1.3308280000e+00  3.2271500000e-01  1.2259380000e+00  1.3930590000e+00 -1.0411590000e+00
-ENERGY -1.526571809149e+02
-FORCES -2.2173000000e-03  2.4900000000e-05 -5.7504000000e-03 -9.0650000000e-04  2.1695000000e-03  2.9202000000e-03  2.5487000000e-03 -3.3367000000e-03  3.0128000000e-03  5.0574000000e-03 -2.6259000000e-03  2.6909000000e-03 -1.2160000000e-03  2.6493000000e-03 -4.2730000000e-03 -3.2663000000e-03  1.1190000000e-03  1.3995000000e-03
-
-JOB 71
-COORDS  7.7987000000e-01  1.2432570000e+00 -1.0931200000e+00 -4.7339000000e-02  1.6121690000e+00 -7.8350400000e-01  8.3721500000e-01  3.8935400000e-01 -6.6440900000e-01 -6.7104700000e-01 -1.2080600000e+00  1.0470300000e+00 -1.2781400000e+00 -6.4838000000e-01  1.5312080000e+00 -1.2262920000e+00 -1.8828500000e+00  6.5639900000e-01
-ENERGY -1.526578023680e+02
-FORCES -3.6572000000e-03 -3.9410000000e-03  4.4653000000e-03  2.6962000000e-03 -1.9430000000e-04 -1.4332000000e-03  1.7235000000e-03  5.1144000000e-03 -3.9633000000e-03 -5.8312000000e-03 -2.2273000000e-03  1.9362000000e-03  2.6847000000e-03 -2.0095000000e-03 -2.8027000000e-03  2.3839000000e-03  3.2577000000e-03  1.7977000000e-03
-
-JOB 72
-COORDS -5.9491000000e-01  9.5333900000e-01  1.4328500000e+00 -9.1929000000e-01  4.6157300000e-01  6.7841300000e-01 -1.3427460000e+00  1.4795070000e+00  1.7159050000e+00  6.4495900000e-01 -1.0177380000e+00 -1.4131250000e+00  1.2016640000e+00 -5.5847800000e-01 -7.8432300000e-01  2.5650300000e-01 -3.2160600000e-01 -1.9429680000e+00
-ENERGY -1.526564885120e+02
-FORCES -5.1618000000e-03 -6.4160000000e-04 -9.9150000000e-04  1.8217000000e-03  4.0890000000e-03  3.2667000000e-03  2.9490000000e-03 -2.2145000000e-03 -1.4494000000e-03  3.3780000000e-03  4.2389000000e-03 -5.6930000000e-04 -3.4619000000e-03 -2.4339000000e-03 -3.3651000000e-03  4.7490000000e-04 -3.0378000000e-03  3.1086000000e-03
-
-JOB 73
-COORDS -1.2702780000e+00  1.4059080000e+00  7.2750000000e-03 -1.1434910000e+00  7.6922500000e-01 -6.9613900000e-01 -3.9731700000e-01  1.7649440000e+00  1.6621900000e-01  1.2729250000e+00 -1.4035520000e+00  5.9999000000e-02  1.1692000000e+00 -8.4935500000e-01 -7.1352500000e-01  3.9967900000e-01 -1.7629280000e+00  2.1659200000e-01
-ENERGY -1.526533087857e+02
-FORCES  4.4240000000e-03 -3.6050000000e-04 -1.3579000000e-03  1.0110000000e-04  1.6057000000e-03  2.7913000000e-03 -4.0735000000e-03 -1.3852000000e-03 -1.5088000000e-03 -4.0325000000e-03 -2.5160000000e-04 -1.7221000000e-03 -4.2340000000e-04 -1.2201000000e-03  3.3177000000e-03  4.0043000000e-03  1.6117000000e-03 -1.5202000000e-03
-
-JOB 74
-COORDS -2.8613500000e-01  1.9559060000e+00  5.8073600000e-01 -6.3273200000e-01  2.7769270000e+00  2.3141300000e-01  5.6939900000e-01  1.8593100000e+00  1.6245000000e-01  2.2726700000e-01 -1.9385520000e+00 -5.5839700000e-01  9.0508900000e-01 -2.4245210000e+00 -1.0281020000e+00  8.2143000000e-02 -2.4423310000e+00  2.4246400000e-01
-ENERGY -1.526539608146e+02
-FORCES  2.1579000000e-03  1.7676000000e-03 -3.9144000000e-03  1.3542000000e-03 -3.2066000000e-03  1.4887000000e-03 -3.1199000000e-03  1.6039000000e-03  2.1449000000e-03  1.3842000000e-03 -4.2222000000e-03  2.0246000000e-03 -2.6538000000e-03  2.4043000000e-03  1.8375000000e-03  8.7730000000e-04  1.6530000000e-03 -3.5812000000e-03
-
-JOB 75
-COORDS -5.7525000000e-01 -2.3591000000e-02  2.0920110000e+00 -1.3527350000e+00  5.2562400000e-01  2.1925670000e+00 -6.8503000000e-01 -4.4081800000e-01  1.2375520000e+00  5.6961000000e-01  2.5865000000e-02 -2.0051870000e+00  6.9338000000e-01 -5.2361000000e-01 -2.7791310000e+00  1.4160580000e+00  4.5402700000e-01 -1.8769920000e+00
-ENERGY -1.526561531716e+02
-FORCES -3.4126000000e-03  5.4200000000e-04 -4.2221000000e-03  2.9563000000e-03 -2.1057000000e-03 -5.0900000000e-05 -6.7100000000e-05  1.3131000000e-03  5.1000000000e-03  4.6260000000e-03 -9.2300000000e-05 -3.1333000000e-03 -5.1280000000e-04  2.2797000000e-03  3.2363000000e-03 -3.5898000000e-03 -1.9369000000e-03 -9.2990000000e-04
-
-JOB 76
-COORDS -9.5788000000e-02 -4.8183000000e-02 -2.1752270000e+00 -9.1584200000e-01  7.3300000000e-03 -2.6657980000e+00  4.0234800000e-01 -7.3559000000e-01 -2.6174520000e+00  1.6949800000e-01  1.1389500000e-01  2.2492250000e+00 -6.9866800000e-01  2.7206100000e-01  2.6200380000e+00  2.1985000000e-02 -5.3493800000e-01  1.5611200000e+00
-ENERGY -1.526546951657e+02
-FORCES -9.7980000000e-04 -1.9188000000e-03 -4.7188000000e-03  3.3544000000e-03 -4.0360000000e-04  2.2402000000e-03 -2.2674000000e-03  2.6961000000e-03  2.1335000000e-03 -4.0666000000e-03 -1.5955000000e-03 -2.6715000000e-03  3.3636000000e-03 -6.6420000000e-04 -1.1761000000e-03  5.9580000000e-04  1.8860000000e-03  4.1925000000e-03
-
-JOB 77
-COORDS  5.7558800000e-01 -1.6066710000e+00  1.4300420000e+00  7.7233400000e-01 -1.5528420000e+00  2.3652560000e+00  6.4508600000e-01 -2.5387210000e+00  1.2234400000e+00 -6.0204900000e-01  1.5869880000e+00 -1.4838650000e+00 -1.4387200000e-01  2.0099300000e+00 -7.5762400000e-01 -8.8311800000e-01  2.3103980000e+00 -2.0441420000e+00
-ENERGY -1.526536485038e+02
-FORCES  7.7370000000e-04 -4.0280000000e-03  2.4244000000e-03 -7.6300000000e-04  8.0800000000e-05 -3.8606000000e-03 -1.5160000000e-04  3.7434000000e-03  1.1605000000e-03  1.0780000000e-03  4.1308000000e-03  1.4443000000e-03 -2.0223000000e-03 -8.9300000000e-04 -3.3738000000e-03  1.0851000000e-03 -3.0339000000e-03  2.2052000000e-03
-
-JOB 78
-COORDS  4.5409000000e-01  2.3673440000e+00 -3.6626100000e-01 -1.3973300000e-01  1.6364370000e+00 -5.3766600000e-01  1.2730260000e+00  2.1165180000e+00 -7.9365100000e-01 -4.4426200000e-01 -2.2824530000e+00  3.5242000000e-01 -1.3584760000e+00 -2.5344670000e+00  4.8254900000e-01 -6.0350000000e-03 -2.5422180000e+00  1.1627970000e+00
-ENERGY -1.526554738570e+02
-FORCES  8.4650000000e-04 -4.8885000000e-03 -2.3772000000e-03  2.1528000000e-03  3.9775000000e-03  5.0810000000e-04 -3.0282000000e-03  1.4214000000e-03  1.6618000000e-03 -1.8869000000e-03 -2.7060000000e-03  4.2720000000e-03  3.7854000000e-03  1.2125000000e-03 -6.1510000000e-04 -1.8696000000e-03  9.8310000000e-04 -3.4496000000e-03
-
-JOB 79
-COORDS -8.9763000000e-02  5.2328500000e-01 -2.4389900000e+00 -7.0413000000e-01 -1.8225400000e-01 -2.2365100000e+00  2.7970300000e-01  7.7043800000e-01 -1.5912630000e+00  1.4347700000e-01 -4.4286500000e-01  2.3821300000e+00 -2.1507200000e-01 -9.2534400000e-01  1.6372220000e+00 -1.8725600000e-01 -9.0767700000e-01  3.1507640000e+00
-ENERGY -1.526539390035e+02
-FORCES -7.6590000000e-04 -1.2331000000e-03  4.1869000000e-03  2.5569000000e-03  2.6225000000e-03 -4.6820000000e-04 -1.8616000000e-03 -1.6092000000e-03 -3.7709000000e-03 -2.8033000000e-03 -4.2243000000e-03  1.1084000000e-03  1.5165000000e-03  2.5392000000e-03  2.2485000000e-03  1.3574000000e-03  1.9049000000e-03 -3.3046000000e-03
-
-JOB 80
-COORDS  1.1008000000e-01  2.4826730000e+00 -2.9931800000e-01  8.4772800000e-01  2.7987140000e+00 -8.2107000000e-01 -4.1474600000e-01  1.9682490000e+00 -9.1263500000e-01 -9.0093000000e-02 -2.4181750000e+00  3.8983500000e-01 -9.1525100000e-01 -2.4624520000e+00 -9.3264000000e-02  2.7436600000e-01 -3.3008010000e+00  3.2371900000e-01
-ENERGY -1.526535822915e+02
-FORCES  1.2093000000e-03 -1.6030000000e-03 -4.3600000000e-03 -3.0448000000e-03 -1.0313000000e-03  2.0416000000e-03  1.7597000000e-03  2.4607000000e-03  2.2099000000e-03 -1.8782000000e-03 -3.8990000000e-03 -1.8075000000e-03  3.4413000000e-03  4.0000000000e-04  1.7026000000e-03 -1.4873000000e-03  3.6726000000e-03  2.1330000000e-04
-
-JOB 81
-COORDS -1.6053770000e+00  2.6279900000e-01  2.4612410000e+00 -1.0005500000e+00 -1.0465900000e-01  3.1057500000e+00 -1.4164230000e+00 -2.1625600000e-01  1.6543740000e+00  1.5763530000e+00 -2.0155500000e-01 -2.3852660000e+00  2.1627070000e+00 -3.4625400000e-01 -3.1278850000e+00  6.9724100000e-01 -2.4699700000e-01 -2.7612050000e+00
-ENERGY -1.526544062446e+02
-FORCES  3.7300000000e-03 -3.3415000000e-03 -8.2860000000e-04 -2.6185000000e-03  1.4431000000e-03 -2.4315000000e-03 -1.2264000000e-03  1.8533000000e-03  3.2947000000e-03 -9.5120000000e-04 -5.0130000000e-04 -4.8756000000e-03 -2.4401000000e-03  5.4850000000e-04  3.0387000000e-03  3.5062000000e-03 -2.2000000000e-06  1.8022000000e-03
-
-JOB 82
-COORDS  5.5271900000e-01 -3.2014000000e+00  1.2131970000e+00  2.3242000000e-01 -3.2981420000e+00  3.1637900000e-01  6.0769700000e-01 -2.2552860000e+00  1.3476470000e+00 -5.5600200000e-01  3.0844890000e+00 -1.1808010000e+00 -9.3038300000e-01  3.8811230000e+00 -1.5568910000e+00  1.2751100000e-01  3.3971570000e+00 -5.8811200000e-01
-ENERGY -1.526544638498e+02
-FORCES -1.2487000000e-03  3.6303000000e-03 -3.2650000000e-03  1.3631000000e-03  2.1440000000e-04  3.6771000000e-03 -6.2700000000e-05 -3.9118000000e-03 -3.6040000000e-04  1.1556000000e-03  4.7858000000e-03  7.5230000000e-04  1.5660000000e-03 -3.2589000000e-03  1.5595000000e-03 -2.7733000000e-03 -1.4598000000e-03 -2.3636000000e-03
-
-JOB 83
-COORDS -2.7151600000e-01  7.9021100000e-01  3.4776540000e+00  4.5498700000e-01  1.2657460000e+00  3.0748000000e+00 -9.4854100000e-01  1.4537620000e+00  3.6102010000e+00  2.3758900000e-01 -8.8303200000e-01 -3.5071260000e+00  1.1829450000e+00 -7.3417000000e-01 -3.4877770000e+00 -8.7196000000e-02 -4.6743700000e-01 -2.7083610000e+00
-ENERGY -1.526540394092e+02
-FORCES  1.5040000000e-04  4.6974000000e-03 -7.4240000000e-04 -2.9880000000e-03 -2.0186000000e-03  1.4122000000e-03  2.8170000000e-03 -2.7325000000e-03 -6.5720000000e-04  2.4782000000e-03  2.1046000000e-03  3.4541000000e-03 -3.8395000000e-03 -5.1970000000e-04 -1.0030000000e-04  1.3818000000e-03 -1.5312000000e-03 -3.3663000000e-03
-
-JOB 84
-COORDS  1.2369100000e+00  3.7150030000e+00  5.1491000000e-02  1.4890640000e+00  4.1994150000e+00  8.3761700000e-01  1.7690960000e+00  4.0966700000e+00 -6.4660700000e-01 -1.2812930000e+00 -3.7766960000e+00 -1.2525300000e-01 -5.6015500000e-01 -3.8456180000e+00  5.0040000000e-01 -2.0236530000e+00 -3.4723490000e+00  3.9676800000e-01
-ENERGY -1.526540639479e+02
-FORCES  3.2049000000e-03  3.5354000000e-03  2.2570000000e-04 -1.0449000000e-03 -2.0149000000e-03 -3.1601000000e-03 -2.1589000000e-03 -1.5260000000e-03  2.8982000000e-03 -2.6500000000e-05  1.2586000000e-03  4.6562000000e-03 -2.9420000000e-03  1.2810000000e-04 -2.5213000000e-03  2.9674000000e-03 -1.3812000000e-03 -2.0988000000e-03
-
-JOB 85
-COORDS  9.4857800000e-01  4.0051110000e+00 -6.6741100000e-01  1.6248900000e-01  3.4647240000e+00 -7.4663600000e-01  1.3226010000e+00  3.7619640000e+00  1.7947700000e-01 -9.0710800000e-01 -4.0078900000e+00  6.6556400000e-01 -3.9840200000e-01 -3.6155630000e+00 -4.4034000000e-02 -1.7449910000e+00 -3.5455810000e+00  6.4422200000e-01
-ENERGY -1.526539709808e+02
-FORCES -1.6338000000e-03 -3.0560000000e-03  3.2146000000e-03  3.1979000000e-03  2.0967000000e-03  2.7850000000e-04 -1.5683000000e-03  9.4080000000e-04 -3.5147000000e-03 -1.3681000000e-03  3.2820000000e-03 -3.0621000000e-03 -2.1006000000e-03 -1.4874000000e-03  2.9690000000e-03  3.4729000000e-03 -1.7762000000e-03  1.1480000000e-04
-
-JOB 86
-COORDS -5.4721000000e-01  8.1433800000e-01 -4.1816780000e+00 -1.1755870000e+00  7.4130700000e-01 -4.9000380000e+00 -1.8709000000e-02  1.8650000000e-02 -4.2433070000e+00  5.9972700000e-01 -7.8945200000e-01  4.2638060000e+00  6.7307500000e-01 -5.3224300000e-01  3.3447330000e+00 -3.0242000000e-01 -5.7545200000e-01  4.5016420000e+00
-ENERGY -1.526542424964e+02
-FORCES -3.8190000000e-04 -3.5074000000e-03 -3.3376000000e-03  2.5553000000e-03  2.8430000000e-04  2.9659000000e-03 -2.1783000000e-03  3.2440000000e-03  3.4220000000e-04 -3.3927000000e-03  2.0253000000e-03 -2.8385000000e-03 -2.6850000000e-04 -1.1314000000e-03  3.7884000000e-03  3.6662000000e-03 -9.1490000000e-04 -9.2040000000e-04
-
-JOB 87
-COORDS -3.4285100000e-01 -3.4178420000e+00 -2.7587940000e+00 -6.1720600000e-01 -2.5498650000e+00 -3.0547270000e+00 -9.5085300000e-01 -3.6335900000e+00 -2.0516740000e+00  3.5589700000e-01  3.3741950000e+00  2.6806120000e+00  2.2977800000e-01  3.9357060000e+00  3.4454860000e+00  1.1602760000e+00  2.8903970000e+00  2.8680800000e+00
-ENERGY -1.526542369945e+02
-FORCES -3.6244000000e-03  2.7669000000e-03  1.7073000000e-03  1.1284000000e-03 -3.5978000000e-03  1.1572000000e-03  2.4884000000e-03  8.0710000000e-04 -2.8829000000e-03  2.8342000000e-03  3.6670000000e-04  3.9079000000e-03  4.9630000000e-04 -2.3032000000e-03 -3.1210000000e-03 -3.3229000000e-03  1.9604000000e-03 -7.6850000000e-04
-
-JOB 88
-COORDS -1.1858400000e-01 -2.6995700000e+00 -4.2214740000e+00 -3.5343100000e-01 -2.5437310000e+00 -5.1362380000e+00  3.6232900000e-01 -1.9143260000e+00 -3.9600440000e+00  8.0629000000e-02  2.5940830000e+00  4.2918030000e+00  1.0135880000e+00  2.7434470000e+00  4.1384770000e+00 -3.4997400000e-01  3.3636690000e+00  3.9195810000e+00
-ENERGY -1.526539922667e+02
-FORCES  9.7910000000e-04  3.8255000000e-03 -2.6202000000e-03  9.6670000000e-04 -6.2800000000e-04  3.7275000000e-03 -1.9429000000e-03 -3.1874000000e-03 -1.0987000000e-03  2.0322000000e-03  3.7235000000e-03 -2.1031000000e-03 -3.8071000000e-03 -5.9780000000e-04  5.9790000000e-04  1.7721000000e-03 -3.1359000000e-03  1.4966000000e-03
-
-JOB 89
-COORDS  1.2029940000e+00 -6.2623030000e+00  2.5839100000e+00  1.5562280000e+00 -6.1200630000e+00  1.7057160000e+00  7.0576200000e-01 -7.0771870000e+00  2.5135020000e+00 -1.2343390000e+00  6.2771910000e+00 -2.5854090000e+00 -3.0597300000e-01  6.1141150000e+00 -2.4187510000e+00 -1.5197400000e+00  6.8155280000e+00 -1.8471880000e+00
-ENERGY -1.526540985986e+02
-FORCES -6.0580000000e-04 -2.7473000000e-03 -3.8809000000e-03 -1.4286000000e-03 -5.7670000000e-04  3.5886000000e-03  2.0344000000e-03  3.3214000000e-03  2.9260000000e-04  2.6195000000e-03  1.5243000000e-03  3.7150000000e-03 -3.7831000000e-03  6.6650000000e-04 -6.9480000000e-04  1.1635000000e-03 -2.1882000000e-03 -3.0205000000e-03
-
-JOB 0
-COORDS -1.1972260000e+00 -3.2723900000e-01  7.6919000000e-02 -1.5312480000e+00 -3.8309300000e-01 -8.1836900000e-01 -1.7312960000e+00  3.5099200000e-01  4.9044500000e-01  1.2841050000e+00  3.3329000000e-01 -8.6924000000e-02  1.6807710000e+00 -3.5753500000e-01  4.4378100000e-01  3.4287500000e-01  2.3662500000e-01  5.7902000000e-02
-ENERGY -1.526573512613e+02
-FORCES  1.0040400000e-02  2.8146000000e-03 -4.1230000000e-03  1.3232000000e-03  1.4218000000e-03  5.7035000000e-03  5.3405000000e-03 -2.8030000000e-03 -3.2989000000e-03 -2.1895400000e-02 -8.3440000000e-03  3.0764000000e-03 -1.5875000000e-03  1.4902000000e-03 -1.1229000000e-03  6.7788000000e-03  5.4204000000e-03 -2.3510000000e-04
-
-JOB 1
-COORDS -9.4596100000e-01  8.5894600000e-01  1.1857500000e-01 -1.6974630000e+00  5.6055000000e-01 -3.9371100000e-01 -6.7178600000e-01  1.6707520000e+00 -3.0807500000e-01  1.0069360000e+00 -9.0666800000e-01 -1.1730600000e-01  1.1496740000e+00 -1.2596090000e+00  7.6092500000e-01  2.9690900000e-01 -2.7389500000e-01 -9.1750000000e-03
-ENERGY -1.526601058507e+02
-FORCES  4.7051000000e-03 -3.8463000000e-03 -3.6591000000e-03  4.9938000000e-03  1.8987000000e-03  2.3018000000e-03 -1.7608000000e-03 -5.3486000000e-03  1.6402000000e-03 -1.3961700000e-02  1.2308100000e-02  4.2027000000e-03 -1.4203000000e-03  1.6344000000e-03 -2.0293000000e-03  7.4439000000e-03 -6.6463000000e-03 -2.4564000000e-03
-
-JOB 2
-COORDS -2.4112800000e-01  1.2332660000e+00  2.3556000000e-01 -1.0607090000e+00  1.7258770000e+00  1.9250600000e-01  3.7711500000e-01  1.7504210000e+00 -2.8073400000e-01  2.4890000000e-01 -1.3340650000e+00 -2.5515100000e-01  5.1731100000e-01 -1.4968960000e+00  6.4910100000e-01  1.4297000000e-02 -4.0622100000e-01 -2.7247300000e-01
-ENERGY -1.526592805332e+02
-FORCES -2.8510000000e-04 -4.4531000000e-03 -2.0217000000e-03  5.1509000000e-03 -1.7223000000e-03 -1.7300000000e-04 -4.2601000000e-03 -4.0432000000e-03  2.0962000000e-03 -3.9134000000e-03  1.6688300000e-02  6.7330000000e-03 -3.0920000000e-04 -2.8390000000e-04 -2.2073000000e-03  3.6169000000e-03 -6.1857000000e-03 -4.4272000000e-03
-
-JOB 3
-COORDS -5.7703300000e-01 -7.5619700000e-01 -8.5142900000e-01 -1.1253860000e+00 -6.2870200000e-01 -1.6255640000e+00 -4.0903000000e-02 -1.5211250000e+00 -1.0604330000e+00  5.7422400000e-01  8.6237500000e-01  9.2109000000e-01  1.1753770000e+00  2.4306300000e-01  1.3349740000e+00  3.4984000000e-02  3.2320800000e-01  3.4251400000e-01
-ENERGY -1.526584831959e+02
-FORCES  4.7223000000e-03  5.0849000000e-03  2.7990000000e-03  3.3735000000e-03 -2.2603000000e-03  3.0794000000e-03 -3.1575000000e-03  3.6291000000e-03  5.6860000000e-04 -6.6587000000e-03 -1.1124900000e-02 -1.0401000000e-02 -1.6101000000e-03  7.1570000000e-04 -2.0723000000e-03  3.3304000000e-03  3.9555000000e-03  6.0264000000e-03
-
-JOB 4
-COORDS -1.0232700000e+00 -7.5399600000e-01 -5.5797900000e-01 -5.5179400000e-01 -1.0709470000e+00 -1.3283580000e+00 -3.5341700000e-01 -3.2299200000e-01 -2.7165000000e-02  9.5892900000e-01  6.8951000000e-01  5.3199900000e-01  8.7514800000e-01  1.6023390000e+00  2.5640000000e-01  1.0284250000e+00  7.3218100000e-01  1.4857190000e+00
-ENERGY -1.526601397026e+02
-FORCES  1.4649300000e-02  7.7935000000e-03  5.3174000000e-03 -1.2061000000e-03  1.3355000000e-03  1.7131000000e-03 -7.6779000000e-03 -5.0712000000e-03 -1.8988000000e-03 -5.1708000000e-03  6.0750000000e-04 -2.0693000000e-03  9.9640000000e-04 -4.7273000000e-03  2.4361000000e-03 -1.5910000000e-03  6.2000000000e-05 -5.4985000000e-03
-
-JOB 5
-COORDS  4.3943800000e-01 -1.2500670000e+00 -3.2446500000e-01  1.4687000000e-01 -3.4083000000e-01 -3.8711200000e-01  8.2662600000e-01 -1.4370500000e+00 -1.1796580000e+00 -4.1484800000e-01  1.1652710000e+00  4.0669300000e-01 -1.3187070000e+00  1.4521960000e+00  5.3686300000e-01 -8.1758000000e-02  1.7302450000e+00 -2.9050700000e-01
-ENERGY -1.526562390808e+02
-FORCES -5.1003000000e-03  1.1631200000e-02  4.1138000000e-03  5.4850000000e-03 -5.1100000000e-03 -7.3411000000e-03 -1.9291000000e-03  3.7983000000e-03  2.7465000000e-03 -2.0108000000e-03 -2.4727000000e-03 -2.9340000000e-04  5.2189000000e-03 -3.7700000000e-04 -9.8360000000e-04 -1.6637000000e-03 -7.4696000000e-03  1.7579000000e-03
-
-JOB 6
-COORDS  7.2530900000e-01  6.6221100000e-01 -8.4099300000e-01  8.0135000000e-01  7.5326600000e-01 -1.7908130000e+00  1.6165350000e+00  7.8904900000e-01 -5.1563100000e-01 -7.8578700000e-01 -6.4337700000e-01  9.3136400000e-01 -1.1109780000e+00 -1.5132510000e+00  6.9941500000e-01 -2.9239200000e-01 -3.5863400000e-01  1.6213400000e-01
-ENERGY -1.526599807478e+02
-FORCES -9.5080000000e-04 -2.1126000000e-03  3.3840000000e-03  8.2220000000e-04 -4.5230000000e-04  4.8684000000e-03 -4.2931000000e-03 -5.7160000000e-04 -3.2532000000e-03  7.0558000000e-03  5.6732000000e-03 -1.0482100000e-02  1.7927000000e-03  3.0885000000e-03 -1.1204000000e-03 -4.4268000000e-03 -5.6252000000e-03  6.6033000000e-03
-
-JOB 7
-COORDS  4.6289800000e-01 -1.2305060000e+00  2.7370000000e-03  1.4023210000e+00 -1.2097110000e+00  1.8517700000e-01  3.9455400000e-01 -1.6453420000e+00 -8.5718900000e-01 -5.7209900000e-01  1.2773140000e+00  5.9033000000e-02  1.7202700000e-01  1.7626660000e+00 -2.9725700000e-01 -3.2397000000e-01  3.5726100000e-01 -3.1330000000e-02
-ENERGY -1.526592402125e+02
-FORCES  2.0114000000e-03  3.8110000000e-03 -4.7020000000e-04 -4.7899000000e-03 -1.3470000000e-04 -2.3703000000e-03  7.8800000000e-04  3.8471000000e-03  4.4782000000e-03  7.9395000000e-03 -1.4255900000e-02 -8.2890000000e-04 -1.3709000000e-03 -1.9275000000e-03  1.0097000000e-03 -4.5780000000e-03  8.6600000000e-03 -1.8184000000e-03
-
-JOB 8
-COORDS  7.5448000000e-01 -9.5559900000e-01 -5.4994400000e-01 -1.5828000000e-02 -1.2194450000e+00 -1.0531760000e+00  9.5449200000e-01 -1.7143860000e+00 -1.7920000000e-03 -7.5047900000e-01  1.0026640000e+00  6.0331500000e-01 -6.7628700000e-01  1.8574290000e+00  1.7892800000e-01 -2.8628800000e-01  4.0341600000e-01  1.8799000000e-02
-ENERGY -1.526578860866e+02
-FORCES -2.2555000000e-03 -1.9007000000e-03  5.6253000000e-03  2.6900000000e-03  5.9554000000e-03  5.3140000000e-03 -1.1339000000e-03  2.7400000000e-03 -4.2139000000e-03  1.0077700000e-02 -7.3446000000e-03 -5.1076000000e-03  5.3450000000e-04 -3.7819000000e-03  1.0230000000e-04 -9.9128000000e-03  4.3319000000e-03 -1.7201000000e-03
-
-JOB 9
-COORDS -1.9362700000e-01  6.1337900000e-01 -1.1508340000e+00  3.3751300000e-01  4.8019000000e-02 -1.7116290000e+00 -1.0094080000e+00  7.3508700000e-01 -1.6365500000e+00  1.7986800000e-01 -6.2794800000e-01  1.2597800000e+00 -1.8731100000e-01 -2.6677800000e-01  4.5295400000e-01  1.0784310000e+00 -2.9888300000e-01  1.2828720000e+00
-ENERGY -1.526597773430e+02
-FORCES  3.2610000000e-04 -2.7449000000e-03 -3.3080000000e-04 -3.1682000000e-03  2.8366000000e-03  3.8360000000e-03  4.5077000000e-03 -1.6501000000e-03  2.5287000000e-03 -4.9790000000e-04  9.6516000000e-03 -1.2429200000e-02  5.6210000000e-04 -6.2237000000e-03  6.6274000000e-03 -1.7297000000e-03 -1.8695000000e-03 -2.3220000000e-04
-
-JOB 10
-COORDS  1.1389960000e+00  4.8171000000e-01 -5.0837300000e-01  1.4227670000e+00  5.3274800000e-01  4.0437000000e-01  1.3951210000e+00  1.3228360000e+00 -8.8671100000e-01 -1.1873660000e+00 -5.9266500000e-01  4.4420400000e-01 -4.0247700000e-01 -5.6952000000e-02  3.2934600000e-01 -1.7234450000e+00 -1.0240800000e-01  1.0675010000e+00
-ENERGY -1.526554883724e+02
-FORCES -1.5620000000e-04  2.1422000000e-03 -2.5580000000e-04 -8.3764000000e-03 -6.0560000000e-04 -4.4154000000e-03 -5.4540000000e-04 -4.4082000000e-03  2.6446000000e-03  7.6476000000e-03  6.1782000000e-03 -5.4438000000e-03 -2.1979000000e-03 -2.9003000000e-03  9.8564000000e-03  3.6283000000e-03 -4.0630000000e-04 -2.3860000000e-03
-
-JOB 11
-COORDS  1.8208300000e-01 -4.5852700000e-01 -1.3090500000e+00  2.9139300000e-01 -2.8510500000e-01 -3.7405900000e-01  4.0794900000e-01 -1.3832430000e+00 -1.4096270000e+00 -1.9064300000e-01  4.7586300000e-01  1.2033860000e+00 -5.5257400000e-01  3.1463000000e-02  1.9700320000e+00 -2.2920000000e-02  1.3699560000e+00  1.5012070000e+00
-ENERGY -1.526594565751e+02
-FORCES -1.1889000000e-03  2.9930000000e-03  1.1759600000e-02  2.5755000000e-03 -4.0682000000e-03 -7.9467000000e-03 -1.1422000000e-03  2.7783000000e-03  2.1971000000e-03 -7.3700000000e-04  1.3720000000e-04 -2.9908000000e-03  2.0267000000e-03  2.8453000000e-03 -3.1002000000e-03 -1.5340000000e-03 -4.6855000000e-03  8.0900000000e-05
-
-JOB 12
-COORDS -2.9119700000e-01 -1.0279140000e+00  7.9522600000e-01 -1.1956260000e+00 -1.3357210000e+00  7.3609800000e-01  2.3530500000e-01 -1.8272750000e+00  7.8813000000e-01  2.9201500000e-01  1.1406330000e+00 -8.2854000000e-01 -2.7012700000e-01  4.4868400000e-01 -4.8006700000e-01  1.1681210000e+00  9.2017600000e-01 -5.1220300000e-01
-ENERGY -1.526575290549e+02
-FORCES  1.4443000000e-03 -1.5010000000e-03 -1.9691000000e-03  5.0879000000e-03  2.9251000000e-03 -1.6532000000e-03 -2.7542000000e-03  3.9802000000e-03  4.9060000000e-04  5.8210000000e-04 -1.1946700000e-02  1.0292500000e-02 -3.8975000000e-03  4.7195000000e-03 -4.8962000000e-03 -4.6240000000e-04  1.8228000000e-03 -2.2646000000e-03
-
-JOB 13
-COORDS -5.2282800000e-01  3.7281800000e-01 -1.1863400000e+00 -1.2223780000e+00  1.0247390000e+00 -1.2294740000e+00 -9.6009100000e-01 -4.6037500000e-01 -1.3619070000e+00  5.9039400000e-01 -4.3354800000e-01  1.2208550000e+00  5.8044600000e-01 -6.6513000000e-02  3.3687600000e-01  5.4095200000e-01  3.2866800000e-01  1.7977550000e+00
-ENERGY -1.526592948569e+02
-FORCES -4.3028000000e-03 -2.3368000000e-03  4.9048000000e-03  2.5436000000e-03 -3.3333000000e-03 -1.6040000000e-04  2.1763000000e-03  4.6107000000e-03  2.8060000000e-04 -4.6479000000e-03  7.5191000000e-03 -9.5531000000e-03  4.4677000000e-03 -4.4552000000e-03  6.3218000000e-03 -2.3690000000e-04 -2.0045000000e-03 -1.7938000000e-03
-
-JOB 14
-COORDS -1.0344350000e+00 -7.9668300000e-01  3.5869500000e-01 -1.8088770000e+00 -2.4954300000e-01  4.8949500000e-01 -1.2160220000e+00 -1.2810140000e+00 -4.4671200000e-01  1.0879530000e+00  8.3828900000e-01 -3.5813700000e-01  1.8713340000e+00  5.8864900000e-01  1.3199200000e-01  4.2071800000e-01  2.1089100000e-01 -7.9926000000e-02
-ENERGY -1.526617398357e+02
-FORCES -2.4911000000e-03  2.5185000000e-03 -2.5124000000e-03  3.8849000000e-03 -3.3820000000e-03 -1.4316000000e-03  1.6184000000e-03  3.7067000000e-03  4.1493000000e-03 -8.4700000000e-03 -8.6212000000e-03  5.7737000000e-03 -2.9296000000e-03 -1.1690000000e-04 -1.1360000000e-03  8.3874000000e-03  5.8949000000e-03 -4.8430000000e-03
-
-JOB 15
-COORDS -5.3113700000e-01  8.2998900000e-01 -9.4826100000e-01 -1.4744970000e+00  9.7401400000e-01 -8.7369800000e-01 -4.5024900000e-01  4.6201000000e-02 -1.4917360000e+00  5.9242100000e-01 -8.6222600000e-01  9.6484200000e-01  1.0070710000e+00 -3.4345700000e-01  1.6541710000e+00  5.7561000000e-02 -2.3352500000e-01  4.8018600000e-01
-ENERGY -1.526603484711e+02
-FORCES -1.2548000000e-03 -2.5686000000e-03 -3.5834000000e-03  5.4265000000e-03 -1.9113000000e-03  8.4770000000e-04 -1.0586000000e-03  3.8721000000e-03  5.9921000000e-03 -3.5147000000e-03  1.1002900000e-02 -5.6583000000e-03 -1.7572000000e-03 -1.0892000000e-03 -2.0792000000e-03  2.1589000000e-03 -9.3059000000e-03  4.4810000000e-03
-
-JOB 16
-COORDS -1.2804380000e+00  6.4096000000e-01  1.9437200000e-01 -9.4167400000e-01  1.2656530000e+00 -4.4690000000e-01 -6.3112700000e-01 -6.2148000000e-02  2.1067100000e-01  1.2381040000e+00 -5.7405000000e-01 -1.7071300000e-01  1.4100640000e+00 -1.0259000000e+00  6.5541900000e-01  8.5100600000e-01 -1.2437720000e+00 -7.3450300000e-01
-ENERGY -1.526567148359e+02
-FORCES  1.4635800000e-02 -1.7361000000e-03 -3.3583000000e-03 -3.0863000000e-03 -9.4400000000e-04  1.1688000000e-03 -7.4662000000e-03 -3.2647000000e-03  1.0180000000e-03  8.1740000000e-04 -2.2931000000e-03  8.7920000000e-04 -3.4506000000e-03  2.6274000000e-03 -4.6186000000e-03 -1.4501000000e-03  5.6105000000e-03  4.9109000000e-03
-
-JOB 17
-COORDS -5.5665100000e-01  1.2949490000e+00  2.4671600000e-01 -6.1637000000e-01  1.8568520000e+00 -5.2589700000e-01 -3.0936900000e-01  4.3724400000e-01 -9.8863000000e-02  4.8846400000e-01 -1.2648150000e+00 -2.0557200000e-01  8.3202500000e-01 -1.1786980000e+00  6.8368700000e-01  1.2284670000e+00 -1.5899830000e+00 -7.1830200000e-01
-ENERGY -1.526610408662e+02
-FORCES  3.1139000000e-03 -8.8439000000e-03 -5.9835000000e-03  6.5750000000e-04 -2.3439000000e-03  1.7869000000e-03 -2.7691000000e-03  8.4898000000e-03  5.2073000000e-03  4.2156000000e-03  9.9170000000e-04  1.6528000000e-03 -2.2049000000e-03  5.6310000000e-04 -5.8840000000e-03 -3.0130000000e-03  1.1432000000e-03  3.2205000000e-03
-
-JOB 18
-COORDS  4.0197300000e-01 -4.9824000000e-02  1.2971630000e+00 -9.2933000000e-02  6.7322200000e-01  1.6825260000e+00  9.8899900000e-01 -3.3821900000e-01  1.9960630000e+00 -3.7869600000e-01  9.9300000000e-03 -1.4183810000e+00 -1.2545400000e+00  3.7175300000e-01 -1.2834220000e+00 -1.5484000000e-02 -7.4573000000e-02 -5.3681000000e-01
-ENERGY -1.526599334054e+02
-FORCES  1.0985000000e-03  5.1000000000e-04  9.3940000000e-04  2.1326000000e-03 -3.9011000000e-03 -2.2759000000e-03 -3.5607000000e-03  2.5736000000e-03 -1.8371000000e-03  1.4868000000e-03 -8.9480000000e-04  1.0710300000e-02  2.7535000000e-03 -3.9520000000e-04  3.7920000000e-04 -3.9108000000e-03  2.1074000000e-03 -7.9159000000e-03
-
-JOB 19
-COORDS -4.2906000000e-01 -1.1026770000e+00 -7.6882900000e-01 -1.3364610000e+00 -8.8713700000e-01 -5.5342700000e-01 -3.1487800000e-01 -7.9064900000e-01 -1.6665100000e+00  4.5264600000e-01  1.1417090000e+00  7.8086800000e-01  4.7397100000e-01  8.1433900000e-01  1.6800930000e+00  7.1313700000e-01  3.9171300000e-01  2.4618800000e-01
-ENERGY -1.526587196378e+02
-FORCES -5.8395000000e-03  5.0741000000e-03 -2.8870000000e-04  3.6390000000e-03 -2.5073000000e-03 -1.8326000000e-03  6.2050000000e-04 -4.7390000000e-04  5.0313000000e-03 -9.7420000000e-04 -1.0519900000e-02 -2.4210000000e-03 -7.4510000000e-04  1.1435000000e-03 -2.9219000000e-03  3.2994000000e-03  7.2835000000e-03  2.4330000000e-03
-
-JOB 20
-COORDS  3.2461900000e-01  1.3292030000e+00 -1.3866600000e-01 -3.8900300000e-01  1.9195210000e+00 -3.8053500000e-01  9.7635200000e-01  1.4446060000e+00 -8.3015600000e-01 -3.1694200000e-01 -1.3983550000e+00  2.6136600000e-01 -3.1451800000e-01 -1.8931230000e+00 -5.5804200000e-01 -3.3535600000e-01 -4.8123800000e-01 -1.2111000000e-02
-ENERGY -1.526596666436e+02
-FORCES  2.4842000000e-03  2.3443000000e-03 -2.1751000000e-03  3.3733000000e-03 -4.7444000000e-03  5.8480000000e-04 -4.2955000000e-03 -5.2500000000e-04  2.9187000000e-03  2.4466000000e-03  1.0088900000e-02 -3.2395000000e-03  5.1350000000e-04  2.7447000000e-03  2.0658000000e-03 -4.5221000000e-03 -9.9085000000e-03 -1.5470000000e-04
-
-JOB 21
-COORDS  1.2388540000e+00  6.3721900000e-01 -2.2695500000e-01  1.8748870000e+00  1.1221900000e-01  2.5891300000e-01  1.0488820000e+00  1.3777160000e+00  3.4907200000e-01 -1.3006320000e+00 -6.9974200000e-01  1.2989300000e-01 -3.6386900000e-01 -5.0305600000e-01  1.3454600000e-01 -1.6903680000e+00 -2.4605000000e-02  6.8534600000e-01
-ENERGY -1.526577729621e+02
-FORCES  2.4691000000e-03  3.6982000000e-03  2.2831000000e-03 -6.1739000000e-03  1.5654000000e-03 -1.9808000000e-03 -3.0950000000e-04 -5.1759000000e-03 -2.1877000000e-03  9.0283000000e-03  7.3651000000e-03 -1.1298000000e-03 -6.6517000000e-03 -5.7777000000e-03  4.4792000000e-03  1.6377000000e-03 -1.6750000000e-03 -1.4640000000e-03
-
-JOB 22
-COORDS  1.2185670000e+00  4.5511100000e-01 -6.7895500000e-01  1.2425630000e+00  1.3991860000e+00 -8.3509100000e-01  4.2686100000e-01  3.1794600000e-01 -1.5874300000e-01 -1.1743100000e+00 -4.4275500000e-01  6.1725000000e-01 -1.4651650000e+00 -1.3213500000e+00  3.7290200000e-01 -9.2132800000e-01 -5.2086900000e-01  1.5371040000e+00
-ENERGY -1.526613495104e+02
-FORCES -9.6015000000e-03 -8.1430000000e-04  3.3652000000e-03 -9.0380000000e-04 -3.0129000000e-03  1.2352000000e-03  1.0078300000e-02  4.3124000000e-03 -1.9390000000e-03 -3.2550000000e-04 -5.4635000000e-03  2.4530000000e-04  7.5880000000e-04  4.0831000000e-03  2.6714000000e-03 -6.3000000000e-06  8.9510000000e-04 -5.5781000000e-03
-
-JOB 23
-COORDS  1.0573860000e+00  9.0082700000e-01  2.2363200000e-01  1.6782090000e+00  4.6771200000e-01 -3.6221900000e-01  1.4421350000e+00  8.0435400000e-01  1.0947770000e+00 -1.1294150000e+00 -8.6002400000e-01 -3.0414400000e-01 -6.0341500000e-01 -2.9189900000e-01  2.5869600000e-01 -1.5157460000e+00 -1.4994930000e+00  2.9423700000e-01
-ENERGY -1.526594233720e+02
-FORCES  5.1318000000e-03 -2.3690000000e-03 -2.8363000000e-03 -2.0923000000e-03  2.6865000000e-03  4.0081000000e-03 -3.7447000000e-03 -1.2023000000e-03 -4.0678000000e-03  5.1800000000e-03  5.4948000000e-03  3.6342000000e-03 -7.2668000000e-03 -7.6051000000e-03  3.2620000000e-04  2.7921000000e-03  2.9950000000e-03 -1.0643000000e-03
-
-JOB 24
-COORDS -1.1238310000e+00 -2.6651000000e-02 -9.4552500000e-01 -3.0971500000e-01  1.2678500000e-01 -4.6604200000e-01 -9.5658400000e-01  3.2336800000e-01 -1.8205940000e+00  1.0279430000e+00 -1.7029000000e-02  9.1942900000e-01  1.9749730000e+00  1.1829600000e-01  8.8697400000e-01  7.9546400000e-01  1.3218800000e-01  1.8359000000e+00
-ENERGY -1.526610985631e+02
-FORCES  8.3401000000e-03  8.7370000000e-04  4.2186000000e-03 -7.6396000000e-03  7.6730000000e-04 -6.8923000000e-03  6.6040000000e-04 -9.9990000000e-04  3.0890000000e-03  3.8530000000e-04  3.1880000000e-04  2.7663000000e-03 -4.4149000000e-03 -3.8500000000e-04  8.9770000000e-04  2.6687000000e-03 -5.7490000000e-04 -4.0793000000e-03
-
-JOB 25
-COORDS  1.2091500000e+00 -3.2720500000e-01 -6.5006900000e-01  1.1035210000e+00 -1.2589190000e+00 -4.5776300000e-01  1.2745900000e+00 -2.8498300000e-01 -1.6040950000e+00 -1.2307580000e+00  3.7073200000e-01  7.6443800000e-01 -4.3571100000e-01  3.4846000000e-02  3.5053900000e-01 -1.6517840000e+00  8.9631000000e-01  8.4191000000e-02
-ENERGY -1.526594155619e+02
-FORCES  9.7550000000e-04 -2.3315000000e-03 -4.2525000000e-03 -2.3345000000e-03  6.6161000000e-03 -1.6690000000e-04 -3.1220000000e-04 -7.0870000000e-04  4.7815000000e-03  8.5756000000e-03  1.0502000000e-03 -7.9578000000e-03 -7.5955000000e-03 -3.0302000000e-03  5.6494000000e-03  6.9110000000e-04 -1.5958000000e-03  1.9463000000e-03
-
-JOB 26
-COORDS  8.0697300000e-01 -6.3899000000e-01  1.0695040000e+00  4.9307300000e-01 -1.5422010000e+00  1.1131960000e+00  4.9140500000e-01 -3.1581000000e-01  2.2558300000e-01 -7.2072700000e-01  6.3155400000e-01 -1.0476910000e+00 -8.7414000000e-01  1.5572280000e+00 -1.2369660000e+00 -1.4173830000e+00  3.9297900000e-01 -4.3614800000e-01
-ENERGY -1.526601177624e+02
-FORCES -2.3114000000e-03  1.5454000000e-03 -8.0681000000e-03 -3.7540000000e-04  3.7611000000e-03 -5.7410000000e-04  9.8020000000e-04 -5.5678000000e-03  8.3395000000e-03 -2.8769000000e-03  4.7678000000e-03  2.2237000000e-03 -6.9670000000e-04 -4.4132000000e-03  8.8520000000e-04  5.2801000000e-03 -9.3300000000e-05 -2.8062000000e-03
-
-JOB 27
-COORDS  6.4127900000e-01  3.2941800000e-01 -1.2306890000e+00  1.4322390000e+00 -1.0778000000e-01 -9.1529500000e-01  8.8666800000e-01  1.2523900000e+00 -1.2950120000e+00 -7.2709800000e-01 -4.1918700000e-01  1.2426900000e+00 -4.0551900000e-01 -2.6370000000e-01  3.5463500000e-01 -6.7175700000e-01  4.3506300000e-01  1.6709710000e+00
-ENERGY -1.526603325689e+02
-FORCES  4.7390000000e-03  2.8354000000e-03  1.3370000000e-04 -5.5888000000e-03  2.6408000000e-03 -2.8090000000e-04 -7.4270000000e-04 -4.6794000000e-03  9.3740000000e-04  3.1708000000e-03  6.1469000000e-03 -8.6218000000e-03 -1.7714000000e-03 -4.4749000000e-03  8.8577000000e-03  1.9310000000e-04 -2.4687000000e-03 -1.0261000000e-03
-
-JOB 28
-COORDS -6.6793700000e-01 -7.7886700000e-01 -1.0565900000e+00 -1.4936000000e-02 -2.2650500000e-01 -6.2680200000e-01 -1.8461100000e-01 -1.2250830000e+00 -1.7519450000e+00  5.9189400000e-01  7.8952000000e-01  1.0096680000e+00  4.3968000000e-02  1.0868250000e+00  1.7360420000e+00  1.2425820000e+00  2.1845700000e-01  1.4179880000e+00
-ENERGY -1.526601691840e+02
-FORCES  4.6921000000e-03  5.1530000000e-03  4.1599000000e-03 -1.9116000000e-03 -6.8582000000e-03 -7.7406000000e-03 -3.5560000000e-04  1.9444000000e-03  3.4963000000e-03 -3.2047000000e-03 -1.4340000000e-03  5.0377000000e-03  3.9513000000e-03 -1.1251000000e-03 -2.0614000000e-03 -3.1715000000e-03  2.3199000000e-03 -2.8919000000e-03
-
-JOB 29
-COORDS -4.9621400000e-01 -1.3064280000e+00  3.1850200000e-01 -8.4508100000e-01 -1.4715450000e+00 -5.5743200000e-01 -1.2699510000e+00 -1.1457020000e+00  8.5862200000e-01  6.2376100000e-01  1.3135900000e+00 -3.2657900000e-01  2.6104200000e-01  5.4876900000e-01  1.2031600000e-01 -7.7897000000e-02  1.9639990000e+00 -2.9698400000e-01
-ENERGY -1.526599403816e+02
-FORCES -4.2284000000e-03 -2.8102000000e-03 -3.4281000000e-03  1.0035000000e-03  1.2857000000e-03  5.2376000000e-03  4.5443000000e-03  1.5933000000e-03 -3.4052000000e-03 -4.6964000000e-03 -7.4003000000e-03  3.6053000000e-03  1.8660000000e-03  1.0521500000e-02 -2.0660000000e-03  1.5110000000e-03 -3.1901000000e-03  5.6300000000e-05
-
-JOB 30
-COORDS  1.0048580000e+00 -1.0332600000e+00 -4.4110800000e-01  1.4716630000e+00 -2.1405800000e-01 -6.0612900000e-01  8.3733000000e-02 -8.1839000000e-01 -5.8804500000e-01 -9.1478300000e-01  9.8885900000e-01  4.7712100000e-01 -1.5428510000e+00  1.4238980000e+00 -9.9511000000e-02 -1.3725760000e+00  2.0607000000e-01  7.8355200000e-01
-ENERGY -1.526553597780e+02
-FORCES -4.3580000000e-03  1.1173700000e-02  1.3033000000e-03  9.5620000000e-04 -4.1475000000e-03 -8.9860000000e-04  5.5100000000e-05 -5.2716000000e-03  9.0000000000e-05 -3.5520000000e-03 -1.2073000000e-03  2.3237000000e-03  4.0493000000e-03 -3.2633000000e-03  1.7016000000e-03  2.8495000000e-03  2.7160000000e-03 -4.5200000000e-03
-
-JOB 31
-COORDS  1.2846600000e+00 -4.7671800000e-01  2.8481100000e-01  1.3971500000e+00 -1.3807650000e+00  5.7854100000e-01  1.8923540000e+00  2.8478000000e-02  8.2492000000e-01 -1.3799500000e+00  4.8031000000e-01 -2.8906500000e-01 -4.5725700000e-01  2.2949100000e-01 -2.4479500000e-01 -1.4395390000e+00  1.0403530000e+00 -1.0630380000e+00
-ENERGY -1.526619365497e+02
-FORCES  9.0790000000e-04 -1.6311000000e-03  3.8834000000e-03  7.5460000000e-04  4.5872000000e-03 -7.9410000000e-04 -2.2616000000e-03 -3.1529000000e-03 -2.4514000000e-03  8.9808000000e-03 -2.0424000000e-03 -3.1860000000e-04 -9.5605000000e-03  3.9346000000e-03 -2.8710000000e-03  1.1788000000e-03 -1.6953000000e-03  2.5518000000e-03
-
-JOB 32
-COORDS  6.3696000000e-02 -1.1715480000e+00  9.4327400000e-01 -3.2476000000e-01 -1.8263820000e+00  3.6316500000e-01  1.5600000000e-01 -3.9123600000e-01  3.9662500000e-01 -2.4315000000e-02  1.1047010000e+00 -8.8027600000e-01  4.8289900000e-01  1.9090260000e+00 -7.7060300000e-01 -9.3549800000e-01  1.3969510000e+00 -9.0411500000e-01
-ENERGY -1.526617232950e+02
-FORCES -1.8230000000e-04  6.0981000000e-03 -8.7748000000e-03  5.3710000000e-04  2.0025000000e-03  1.8829000000e-03 -2.0090000000e-04 -7.5285000000e-03  6.9953000000e-03 -1.7621000000e-03  4.4047000000e-03  2.9480000000e-04 -3.2362000000e-03 -3.6370000000e-03 -4.7780000000e-04  4.8445000000e-03 -1.3398000000e-03  7.9500000000e-05
-
-JOB 33
-COORDS -2.6625500000e-01 -1.4472640000e+00  3.4524500000e-01  5.8185400000e-01 -1.8429160000e+00  1.4424300000e-01 -5.0540000000e-02 -5.8615200000e-01  7.0327600000e-01  2.3811800000e-01  1.4416560000e+00 -2.9918600000e-01  5.5423500000e-01  1.2509040000e+00 -1.1823150000e+00 -7.0105700000e-01  1.2604950000e+00 -3.3612000000e-01
-ENERGY -1.526582789022e+02
-FORCES  6.8706000000e-03  5.9794000000e-03  3.2810000000e-04 -3.1487000000e-03  9.7800000000e-04  1.8260000000e-04 -4.7893000000e-03 -5.5714000000e-03 -7.5000000000e-05 -3.3054000000e-03 -2.8446000000e-03 -6.9048000000e-03 -7.5820000000e-04  1.4833000000e-03  3.8775000000e-03  5.1311000000e-03 -2.4600000000e-05  2.5915000000e-03
-
-JOB 34
-COORDS  3.0728400000e-01  1.2759820000e+00  5.9760200000e-01  8.0565200000e-01  1.8679840000e+00  3.4224000000e-02 -4.7752300000e-01  1.7714490000e+00  8.3174500000e-01 -3.1584400000e-01 -1.3658470000e+00 -6.3560000000e-01 -2.4543400000e-01 -1.6896630000e+00  2.6240700000e-01  4.9209000000e-02 -4.8166100000e-01 -6.0119700000e-01
-ENERGY -1.526598863458e+02
-FORCES -2.6732000000e-03  4.7975000000e-03  6.7800000000e-04 -3.1199000000e-03 -4.1470000000e-03  1.6388000000e-03  4.3510000000e-03 -1.7620000000e-03 -1.0147000000e-03  2.9325000000e-03  7.8026000000e-03  7.5356000000e-03 -1.0131000000e-03 -7.5570000000e-04 -2.9619000000e-03 -4.7730000000e-04 -5.9353000000e-03 -5.8758000000e-03
-
-JOB 35
-COORDS  1.0609200000e-01  1.1363200000e+00  9.2384400000e-01  9.3174800000e-01  8.1896800000e-01  1.2896470000e+00  3.6112100000e-01  1.8506540000e+00  3.3996100000e-01 -1.7617000000e-01 -1.1714030000e+00 -9.7933200000e-01 -3.2835100000e-01 -1.8281710000e+00 -2.9982600000e-01  2.6909000000e-02 -3.6983600000e-01 -4.9716900000e-01
-ENERGY -1.526595042264e+02
-FORCES  3.5779000000e-03  4.7238000000e-03  2.0957000000e-03 -4.9095000000e-03 -5.7600000000e-05 -3.7777000000e-03 -1.0395000000e-03 -5.5028000000e-03  2.1171000000e-03 -1.6479000000e-03  5.5770000000e-03  8.8104000000e-03  1.2093000000e-03  1.5442000000e-03 -2.2735000000e-03  2.8097000000e-03 -6.2846000000e-03 -6.9721000000e-03
-
-JOB 36
-COORDS  2.4943900000e-01  1.0464080000e+00 -9.6385400000e-01  1.1802610000e+00  1.1654740000e+00 -7.7510500000e-01 -6.8229000000e-02  1.9257430000e+00 -1.1690080000e+00 -3.0496900000e-01 -1.1285170000e+00  1.0240810000e+00 -5.0838900000e-01 -2.5844900000e-01  6.8081200000e-01  2.5321300000e-01 -1.5257690000e+00  3.5560800000e-01
-ENERGY -1.526596454578e+02
-FORCES  3.3280000000e-03  4.1345000000e-03 -1.1516000000e-03 -4.7418000000e-03 -8.9970000000e-04 -9.9060000000e-04  1.7427000000e-03 -4.0769000000e-03  1.5500000000e-03  1.3499000000e-03  5.5196000000e-03 -8.7811000000e-03 -1.1930000000e-03 -4.5416000000e-03  6.1201000000e-03 -4.8590000000e-04 -1.3580000000e-04  3.2532000000e-03
-
-JOB 37
-COORDS -3.2634200000e-01 -1.3103950000e+00  5.1112300000e-01 -6.8113500000e-01 -2.0602680000e+00  3.3583000000e-02 -8.3668300000e-01 -1.2778840000e+00  1.3202750000e+00  4.0824400000e-01  1.4044270000e+00 -5.2988400000e-01 -4.5789000000e-01  1.3127430000e+00 -9.2691900000e-01  5.9050200000e-01  5.4477700000e-01 -1.5038900000e-01
-ENERGY -1.526601283639e+02
-FORCES -3.3060000000e-03 -2.6804000000e-03  1.3813000000e-03  7.4350000000e-04  3.5788000000e-03  2.6168000000e-03  1.9669000000e-03 -6.8130000000e-04 -4.1959000000e-03 -4.4616000000e-03 -9.3341000000e-03  1.6198000000e-03  2.1847000000e-03  2.0291000000e-03  2.4720000000e-04  2.8725000000e-03  7.0880000000e-03 -1.6692000000e-03
-
-JOB 38
-COORDS -3.8346000000e-02 -9.7334400000e-01 -1.1552280000e+00 -4.5320000000e-02 -5.4250000000e-02 -8.8792600000e-01 -6.3003200000e-01 -1.0091900000e+00 -1.9067970000e+00  1.0049900000e-01  8.8312600000e-01  1.1297420000e+00 -6.8924600000e-01  6.7580600000e-01  1.6292950000e+00  4.3808600000e-01  1.6818580000e+00  1.5350730000e+00
-ENERGY -1.526589063970e+02
-FORCES -2.5070000000e-04  5.7806000000e-03  1.8197000000e-03 -1.5729000000e-03 -5.7038000000e-03 -6.7183000000e-03  1.7655000000e-03  7.9120000000e-04  3.4502000000e-03 -1.5695000000e-03  5.6570000000e-04  5.2705000000e-03  3.4949000000e-03  2.2928000000e-03 -2.1810000000e-03 -1.8673000000e-03 -3.7264000000e-03 -1.6412000000e-03
-
-JOB 39
-COORDS -6.7774800000e-01  7.9008500000e-01 -1.0056940000e+00 -2.7034000000e-01  6.1706100000e-01 -1.8544070000e+00 -1.5383350000e+00  1.1493870000e+00 -1.2213890000e+00  7.0047800000e-01 -7.7892500000e-01  1.1321040000e+00  4.4174900000e-01 -2.9223200000e-01  3.4953100000e-01  1.0106830000e+00 -1.6211020000e+00  7.9932400000e-01
-ENERGY -1.526594349377e+02
-FORCES -4.6627000000e-03  1.8032000000e-03 -2.3218000000e-03 -1.4245000000e-03 -3.4510000000e-04  4.9473000000e-03  4.1913000000e-03 -1.2156000000e-03 -9.5220000000e-04 -3.6904000000e-03  2.1311000000e-03 -6.3473000000e-03  6.6787000000e-03 -5.4713000000e-03  4.3625000000e-03 -1.0923000000e-03  3.0978000000e-03  3.1160000000e-04
-
-JOB 40
-COORDS  1.5421000000e-01  1.3457510000e+00 -6.7731300000e-01 -4.5686900000e-01  6.2176300000e-01 -5.4073000000e-01 -3.7228800000e-01  2.0292130000e+00 -1.0919350000e+00 -1.4872000000e-01 -1.3160110000e+00  6.8008900000e-01  5.8961200000e-01 -9.2087100000e-01  1.1437280000e+00  1.6538700000e-01 -2.1829750000e+00  4.2329700000e-01
-ENERGY -1.526604701899e+02
-FORCES -4.4446000000e-03 -3.3457000000e-03 -4.6400000000e-05  2.1311000000e-03  8.1982000000e-03 -2.4454000000e-03  1.3297000000e-03 -3.2930000000e-03  1.4867000000e-03  5.9151000000e-03 -2.0669000000e-03  1.3368000000e-03 -3.9232000000e-03 -3.0297000000e-03 -1.8571000000e-03 -1.0081000000e-03  3.5370000000e-03  1.5254000000e-03
-
-JOB 41
-COORDS -1.2749500000e+00 -7.4118800000e-01 -5.3245400000e-01 -1.7237750000e+00  8.6840000000e-02 -3.6169700000e-01 -3.8655200000e-01 -4.8581400000e-01 -7.8098000000e-01  1.2485200000e+00  6.1748500000e-01  5.1482000000e-01  6.6635800000e-01  1.3386630000e+00  2.7561200000e-01  1.8454300000e+00  9.9508500000e-01  1.1608450000e+00
-ENERGY -1.526543528876e+02
-FORCES  5.2096000000e-03  3.5192000000e-03  2.2373000000e-03  2.2508000000e-03 -2.1364000000e-03 -7.4450000000e-04 -6.2190000000e-03  7.3150000000e-04 -1.7018000000e-03  6.7450000000e-04  3.6350000000e-03  3.7013000000e-03  1.2520000000e-03 -4.6259000000e-03 -8.6300000000e-04 -3.1678000000e-03 -1.1235000000e-03 -2.6293000000e-03
-
-JOB 42
-COORDS -7.8449900000e-01  8.3184300000e-01 -9.4108100000e-01 -2.6517200000e-01  1.6153690000e+00 -1.1216840000e+00 -1.6423750000e+00  1.1672720000e+00 -6.8075800000e-01  8.7014200000e-01 -9.0038700000e-01  9.3957200000e-01  3.0345900000e-01 -6.3473100000e-01  2.1532800000e-01  2.6759400000e-01 -1.0891770000e+00  1.6589650000e+00
-ENERGY -1.526604506670e+02
-FORCES -7.3770000000e-04  5.9043000000e-03  6.3300000000e-04 -3.3219000000e-03 -3.2711000000e-03  5.0130000000e-04  3.9806000000e-03 -1.1962000000e-03 -1.0271000000e-03 -7.1509000000e-03  3.4458000000e-03 -3.4098000000e-03  5.4158000000e-03 -5.5422000000e-03  5.4004000000e-03  1.8141000000e-03  6.5950000000e-04 -2.0977000000e-03
-
-JOB 43
-COORDS -6.7294500000e-01  1.9530300000e-01  1.4076500000e+00 -1.6031350000e+00 -1.6189000000e-02  1.3286010000e+00 -3.5866700000e-01  2.3678400000e-01  5.0446600000e-01  6.7170500000e-01 -2.1367700000e-01 -1.3066530000e+00  9.0395900000e-01 -4.6768700000e-01 -2.1998320000e+00  1.1649150000e+00  5.9162300000e-01 -1.1502320000e+00
-ENERGY -1.526586434924e+02
-FORCES -1.3887000000e-03 -3.2498000000e-03 -7.2270000000e-03  2.8940000000e-03  7.9120000000e-04  7.1330000000e-04 -4.5660000000e-04  4.7701000000e-03  6.7556000000e-03  3.5520000000e-03 -5.7900000000e-05 -4.6384000000e-03 -5.1000000000e-06  1.7046000000e-03  3.7821000000e-03 -4.5956000000e-03 -3.9583000000e-03  6.1450000000e-04
-
-JOB 44
-COORDS  7.0682100000e-01 -8.0989900000e-01  1.1999440000e+00 -9.4049000000e-02 -3.1342900000e-01  1.0315500000e+00  1.2108400000e+00 -7.3437000000e-01  3.8970200000e-01 -7.1806100000e-01  7.1145200000e-01 -1.1284470000e+00  1.0239300000e-01  9.3051100000e-01 -1.5701470000e+00 -1.0589650000e+00  1.5526330000e+00 -8.2442200000e-01
-ENERGY -1.526570723179e+02
-FORCES -4.3551000000e-03  3.4590000000e-03 -8.2539000000e-03  2.9134000000e-03 -1.6114000000e-03  5.5487000000e-03  9.3920000000e-04 -4.1440000000e-04  2.7331000000e-03  1.7208000000e-03  5.0792000000e-03 -2.7560000000e-03 -3.1237000000e-03 -1.8458000000e-03  3.0090000000e-03  1.9054000000e-03 -4.6665000000e-03 -2.8090000000e-04
-
-JOB 45
-COORDS  6.6152300000e-01  3.4767600000e-01  1.3780560000e+00 -2.5677600000e-01  1.7758700000e-01  1.1682290000e+00  1.0202990000e+00 -5.1171700000e-01  1.5993140000e+00 -6.1344900000e-01 -3.4761100000e-01 -1.3933620000e+00 -1.4659210000e+00  7.5690000000e-02 -1.4950430000e+00 -4.3804000000e-02  3.3982200000e-01 -1.0481490000e+00
-ENERGY -1.526579486943e+02
-FORCES -2.7840000000e-03 -7.2267000000e-03  3.6930000000e-04  4.1258000000e-03  3.5463000000e-03  1.6640000000e-04 -1.1200000000e-03  3.9665000000e-03 -1.6860000000e-04  1.7823000000e-03  5.0626000000e-03 -5.2840000000e-04  3.6785000000e-03 -1.8153000000e-03  2.2384000000e-03 -5.6825000000e-03 -3.5333000000e-03 -2.0771000000e-03
-
-JOB 46
-COORDS  1.0419220000e+00  1.1685990000e+00  5.8703000000e-02  1.0855600000e+00  1.7531390000e+00  8.1543400000e-01  5.4764200000e-01  4.1011400000e-01  3.6953900000e-01 -9.9699900000e-01 -1.0962680000e+00 -1.4194800000e-01 -6.6309500000e-01 -1.5985990000e+00  6.0129100000e-01 -1.6153880000e+00 -1.6867280000e+00 -5.7227900000e-01
-ENERGY -1.526560434748e+02
-FORCES -4.9946000000e-03 -2.4051000000e-03  1.7416000000e-03 -4.5340000000e-04 -2.7007000000e-03 -2.6289000000e-03  5.9088000000e-03  3.0304000000e-03  3.3703000000e-03 -3.1228000000e-03 -4.9712000000e-03 -1.9974000000e-03  1.3700000000e-04  5.1910000000e-03 -3.1321000000e-03  2.5249000000e-03  1.8557000000e-03  2.6466000000e-03
-
-JOB 47
-COORDS -3.5012900000e-01  1.4751500000e+00  5.6943000000e-01 -7.7664400000e-01  6.5161200000e-01  8.0629000000e-01  5.4685200000e-01  1.2256170000e+00  3.4719000000e-01  2.9730600000e-01 -1.3818960000e+00 -5.1580000000e-01  7.6602600000e-01 -2.2158520000e+00 -5.4821900000e-01  2.5993900000e-01 -1.0920110000e+00 -1.4272830000e+00
-ENERGY -1.526588198114e+02
-FORCES  2.8916000000e-03 -8.5600000000e-03 -7.1100000000e-05 -6.8880000000e-04  5.4293000000e-03  4.4530000000e-04 -2.3621000000e-03  3.8673000000e-03  1.3120000000e-04  1.0681000000e-03 -3.1564000000e-03 -4.6916000000e-03 -1.9206000000e-03  3.9735000000e-03 -2.2660000000e-04  1.0119000000e-03 -1.5537000000e-03  4.4128000000e-03
-
-JOB 48
-COORDS  9.0322000000e-01 -1.1492210000e+00 -6.6613000000e-01  6.2789700000e-01 -4.3997900000e-01 -8.5265000000e-02  2.8942500000e-01 -1.8607240000e+00 -4.8378100000e-01 -7.9321300000e-01  1.1354260000e+00  5.7481900000e-01 -1.7109020000e+00  8.8412600000e-01  4.7029100000e-01 -7.7046000000e-01  1.6242720000e+00  1.3974630000e+00
-ENERGY -1.526598573348e+02
-FORCES -5.4092000000e-03  3.9536000000e-03  4.4199000000e-03  5.0067000000e-03 -7.0486000000e-03 -3.1676000000e-03  1.7066000000e-03  2.1122000000e-03 -8.6930000000e-04 -5.1499000000e-03  2.6181000000e-03  2.1606000000e-03  4.3107000000e-03  9.4910000000e-04  1.3075000000e-03 -4.6480000000e-04 -2.5844000000e-03 -3.8511000000e-03
-
-JOB 49
-COORDS  1.6960100000e-01 -1.5008810000e+00 -4.3924400000e-01 -3.4631500000e-01 -7.0568200000e-01 -3.0612500000e-01 -4.7050800000e-01 -2.1602040000e+00 -7.0717100000e-01 -1.4800100000e-01  1.4588630000e+00  4.9071100000e-01  7.9889900000e-01  1.5622580000e+00  5.8517200000e-01 -3.6001500000e-01  1.9201440000e+00 -3.2077000000e-01
-ENERGY -1.526596949733e+02
-FORCES -4.2782000000e-03  3.5401000000e-03  1.8869000000e-03  1.3278000000e-03 -8.0456000000e-03 -4.5957000000e-03  1.8214000000e-03  3.2049000000e-03  9.4280000000e-04  5.5000000000e-03  4.6440000000e-03 -8.6890000000e-04 -4.8881000000e-03  4.6110000000e-04 -6.8170000000e-04  5.1710000000e-04 -3.8044000000e-03  3.3167000000e-03
-
-JOB 50
-COORDS  5.4739600000e-01  1.3709250000e+00  2.3138000000e-01  1.3587790000e+00  1.8551720000e+00  3.8433000000e-01 -7.5493000000e-02  2.0341380000e+00 -6.5926000000e-02 -5.2795500000e-01 -1.4606530000e+00 -2.8028000000e-01 -2.9143000000e-01 -7.0337800000e-01  2.5527800000e-01 -1.2631010000e+00 -1.8620560000e+00  1.8304300000e-01
-ENERGY -1.526596936742e+02
-FORCES  2.0139000000e-03  5.0286000000e-03 -1.9328000000e-03 -3.9260000000e-03 -1.0650000000e-03 -9.3530000000e-04  2.9772000000e-03 -2.5642000000e-03  2.0142000000e-03  8.4430000000e-04  4.4751000000e-03  3.7804000000e-03 -4.4300000000e-03 -8.0619000000e-03 -1.4049000000e-03  2.5205000000e-03  2.1874000000e-03 -1.5217000000e-03
-
-JOB 51
-COORDS  4.6322200000e-01 -1.5533910000e+00  2.1738400000e-01  1.3757160000e+00 -1.4100780000e+00  4.6847500000e-01  8.4033000000e-02 -6.7532300000e-01  1.7936400000e-01 -4.3435000000e-01  1.4833880000e+00 -2.5636600000e-01 -5.9033600000e-01  2.0277560000e+00  5.1536100000e-01 -1.3016080000e+00  1.1614530000e+00 -5.0223700000e-01
-ENERGY -1.526596719512e+02
-FORCES  2.4327000000e-03  8.1274000000e-03 -3.2460000000e-04 -2.8720000000e-03 -1.2109000000e-03 -3.6330000000e-04 -7.4390000000e-04 -8.8338000000e-03  1.1089000000e-03 -5.0425000000e-03  5.1863000000e-03  7.1800000000e-04  7.5120000000e-04 -3.0705000000e-03 -3.7031000000e-03  5.4744000000e-03 -1.9850000000e-04  2.5641000000e-03
-
-JOB 52
-COORDS  2.2886100000e-01 -1.4631610000e+00  1.0097890000e+00  6.6711400000e-01 -6.1298200000e-01  1.0466910000e+00 -6.9475800000e-01 -1.2638950000e+00  1.1629290000e+00 -2.1201400000e-01  1.4298770000e+00 -1.0787070000e+00 -2.1575600000e-01  1.8450050000e+00 -2.1621900000e-01 -5.7820000000e-03  5.1194800000e-01 -9.0234100000e-01
-ENERGY -1.526542100113e+02
-FORCES -2.0105000000e-03  2.4616000000e-03  3.6883000000e-03 -3.1491000000e-03 -2.9074000000e-03 -2.7057000000e-03  4.8307000000e-03 -3.0780000000e-04 -1.4499000000e-03  6.0800000000e-04 -2.3768000000e-03  2.7230000000e-03  3.2850000000e-04 -2.8987000000e-03 -3.0007000000e-03 -6.0760000000e-04  6.0290000000e-03  7.4500000000e-04
-
-JOB 53
-COORDS  1.3347720000e+00  2.1257600000e-01  1.0028640000e+00  1.2393940000e+00  5.7999100000e-01  1.8815800000e+00  2.2509000000e+00 -6.0669000000e-02  9.5513200000e-01 -1.3683210000e+00 -2.7812600000e-01 -1.0357310000e+00 -8.4306200000e-01  5.0884500000e-01 -8.9077700000e-01 -2.1744280000e+00  4.2512000000e-02 -1.4402250000e+00
-ENERGY -1.526556596954e+02
-FORCES  3.8811000000e-03 -1.1563000000e-03  4.1393000000e-03  5.1440000000e-04 -1.1482000000e-03 -3.8979000000e-03 -3.7521000000e-03  1.4238000000e-03  5.0990000000e-04  9.3800000000e-04  4.5527000000e-03  5.2200000000e-05 -4.8250000000e-03 -2.4186000000e-03 -2.6936000000e-03  3.2435000000e-03 -1.2535000000e-03  1.8902000000e-03
-
-JOB 54
-COORDS  1.2493910000e+00 -1.2389140000e+00 -4.7469900000e-01  8.4896700000e-01 -2.0663400000e+00 -2.0775300000e-01  5.2140400000e-01 -7.1869800000e-01 -8.1476100000e-01 -1.1504950000e+00  1.2702450000e+00  4.2346200000e-01 -7.3185700000e-01  1.0046110000e+00  1.2422490000e+00 -2.0858420000e+00  1.2859250000e+00  6.2622600000e-01
-ENERGY -1.526575180119e+02
-FORCES -5.3608000000e-03 -1.1390000000e-04 -1.3354000000e-03  1.5810000000e-03  3.1907000000e-03 -5.7980000000e-04  4.7484000000e-03 -4.3890000000e-03  1.0337000000e-03 -2.2446000000e-03  7.3580000000e-04  5.4758000000e-03 -2.8068000000e-03  9.6910000000e-04 -3.8360000000e-03  4.0829000000e-03 -3.9280000000e-04 -7.5830000000e-04
-
-JOB 55
-COORDS -1.4476800000e-01 -9.5661600000e-01 -1.5410600000e+00  1.7596200000e-01 -1.7400100000e-01 -1.0928650000e+00 -7.3580100000e-01 -6.2172400000e-01 -2.2154200000e+00  1.3653600000e-01  9.4434000000e-01  1.5295170000e+00  1.0079150000e+00  7.7167300000e-01  1.8860520000e+00 -3.2668200000e-01  1.1093000000e-01  1.6137140000e+00
-ENERGY -1.526580892572e+02
-FORCES -8.0260000000e-04  5.6797000000e-03 -9.8090000000e-04 -1.3636000000e-03 -5.3952000000e-03 -3.3850000000e-03  2.2595000000e-03 -1.4196000000e-03  2.5762000000e-03  1.0541000000e-03 -4.0097000000e-03  4.6799000000e-03 -3.7367000000e-03  7.1540000000e-04 -2.0756000000e-03  2.5893000000e-03  4.4294000000e-03 -8.1460000000e-04
-
-JOB 56
-COORDS  1.0268200000e+00  1.6498000000e-02  1.4821990000e+00  3.7792200000e-01 -3.5746100000e-01  2.0782840000e+00  1.4314790000e+00 -7.4208100000e-01  1.0614360000e+00 -9.5240600000e-01  2.9220000000e-02 -1.5095830000e+00 -1.7163490000e+00  5.3422000000e-02 -2.0858100000e+00 -1.2788000000e+00  3.4007600000e-01 -6.6514900000e-01
-ENERGY -1.526553626574e+02
-FORCES  6.9210000000e-04 -5.3793000000e-03 -3.4000000000e-06  1.8073000000e-03  2.0764000000e-03 -2.9736000000e-03 -1.3741000000e-03  3.0606000000e-03  2.9919000000e-03 -3.6229000000e-03  2.5114000000e-03  1.8074000000e-03  3.1580000000e-03 -1.6470000000e-04  2.5581000000e-03 -6.6040000000e-04 -2.1043000000e-03 -4.3804000000e-03
-
-JOB 57
-COORDS -3.3756800000e-01  1.0650120000e+00 -1.6255890000e+00 -1.1099760000e+00  5.0776800000e-01 -1.7209580000e+00 -1.5952400000e-01  1.0694990000e+00 -6.8510400000e-01  4.2617400000e-01 -1.0151200000e+00  1.5367480000e+00 -3.5901500000e-01 -1.4884570000e+00  1.2616790000e+00  2.8767600000e-01 -8.4109400000e-01  2.4677500000e+00
-ENERGY -1.526556667559e+02
-FORCES -1.1049000000e-03 -2.7178000000e-03  4.4484000000e-03  2.6703000000e-03  1.9533000000e-03  3.5470000000e-04 -2.1780000000e-03  1.4433000000e-03 -5.3107000000e-03 -2.7870000000e-03 -3.1812000000e-03  4.1019000000e-03  2.9803000000e-03  3.0828000000e-03  7.1280000000e-04  4.1930000000e-04 -5.8030000000e-04 -4.3071000000e-03
-
-JOB 58
-COORDS  2.1111000000e-02  1.8864670000e+00  1.3662600000e-01 -7.9983100000e-01  2.0484120000e+00  6.0144700000e-01  5.3078900000e-01  2.6866460000e+00  2.6380400000e-01 -1.2774000000e-02 -1.9993490000e+00 -1.8651200000e-01 -5.6977400000e-01 -1.2538330000e+00 -4.1054300000e-01  6.7567600000e-01 -1.6274400000e+00  3.6480700000e-01
-ENERGY -1.526565637899e+02
-FORCES -7.1890000000e-04  5.6136000000e-03  2.1899000000e-03  3.4968000000e-03 -1.3408000000e-03 -2.1388000000e-03 -2.3688000000e-03 -3.2722000000e-03 -2.7840000000e-04  1.2306000000e-03  6.3987000000e-03  8.7210000000e-04  7.6450000000e-04 -4.4671000000e-03  9.6570000000e-04 -2.4042000000e-03 -2.9321000000e-03 -1.6105000000e-03
-
-JOB 59
-COORDS -4.8460000000e-03 -2.0372900000e-01 -1.9278260000e+00  2.7774000000e-02 -1.0981560000e+00 -2.2671900000e+00 -9.3908600000e-01 -6.5010000000e-03 -1.8605410000e+00  1.9365000000e-02  1.8876900000e-01  1.9637120000e+00  8.4681700000e-01  1.7624700000e-01  1.4826740000e+00 -1.6142900000e-01  1.1178960000e+00  2.1060800000e+00
-ENERGY -1.526555440153e+02
-FORCES -4.5430000000e-03 -3.2446000000e-03 -6.1380000000e-04  4.4800000000e-05  3.6721000000e-03  1.2171000000e-03  3.8611000000e-03 -5.1620000000e-04 -1.1155000000e-03  3.2077000000e-03  3.5668000000e-03 -2.7732000000e-03 -2.9501000000e-03  1.2660000000e-04  3.6680000000e-03  3.7950000000e-04 -3.6047000000e-03 -3.8260000000e-04
-
-JOB 60
-COORDS -1.2838100000e+00  3.5168500000e-01 -1.5153920000e+00 -1.7419430000e+00  7.0666400000e-01 -7.5359500000e-01 -7.5555200000e-01 -3.6555000000e-01 -1.1650360000e+00  1.2996140000e+00 -2.7101500000e-01  1.4769300000e+00  1.5440000000e+00 -1.1463010000e+00  1.7775670000e+00  7.3220300000e-01 -4.2634300000e-01  7.2184700000e-01
-ENERGY -1.526521790298e+02
-FORCES -1.0265000000e-03 -8.3880000000e-04  3.7144000000e-03  2.4779000000e-03 -2.1212000000e-03 -3.5128000000e-03 -7.0800000000e-04  3.2971000000e-03  4.5470000000e-04 -2.0880000000e-04 -4.1464000000e-03 -1.4912000000e-03 -1.2912000000e-03  3.9215000000e-03 -1.5089000000e-03  7.5650000000e-04 -1.1220000000e-04  2.3439000000e-03
-
-JOB 61
-COORDS -5.1917600000e-01 -9.5858400000e-01  1.6560510000e+00 -1.2950200000e+00 -3.9943600000e-01  1.6154080000e+00  1.8058000000e-02 -5.7364900000e-01  2.3484640000e+00  5.7278600000e-01  9.2517400000e-01 -1.7365110000e+00 -1.3487600000e-01  1.4130450000e+00 -1.3152890000e+00  5.0100800000e-01  4.0592000000e-02 -1.3779090000e+00
-ENERGY -1.526558041615e+02
-FORCES -9.9700000000e-04  3.2209000000e-03  4.6306000000e-03  3.6380000000e-03 -1.9773000000e-03 -7.7860000000e-04 -2.5797000000e-03 -1.6031000000e-03 -3.0452000000e-03 -3.0697000000e-03 -2.7197000000e-03  3.9735000000e-03  2.4801000000e-03 -1.2952000000e-03 -1.6958000000e-03  5.2820000000e-04  4.3744000000e-03 -3.0845000000e-03
-
-JOB 62
-COORDS  4.9874200000e-01  1.6887580000e+00 -9.6489100000e-01  1.3977030000e+00  1.9388500000e+00 -7.5145600000e-01  5.6828300000e-01  7.8649200000e-01 -1.2768410000e+00 -5.2972600000e-01 -1.6155360000e+00  1.0205040000e+00 -1.0027620000e+00 -2.4462220000e+00  1.0698000000e+00 -3.6934800000e-01 -1.4857950000e+00  8.5797000000e-02
-ENERGY -1.526525981998e+02
-FORCES  4.4493000000e-03 -2.1692000000e-03  4.9410000000e-04 -3.7858000000e-03 -8.6820000000e-04 -1.3105000000e-03 -1.0282000000e-03  2.5018000000e-03  1.2884000000e-03 -2.1494000000e-03 -2.7336000000e-03 -3.3626000000e-03  2.0824000000e-03  3.5750000000e-03 -1.1910000000e-04  4.3170000000e-04 -3.0580000000e-04  3.0096000000e-03
-
-JOB 63
-COORDS -1.0426080000e+00  8.4309000000e-01  1.4571900000e+00 -1.7100420000e+00  1.2896120000e+00  1.9781330000e+00 -1.3425700000e+00 -6.4669000000e-02  1.4099940000e+00  1.1498170000e+00 -8.6632400000e-01 -1.4756420000e+00  6.5593700000e-01 -6.9766700000e-01 -2.2780570000e+00  8.2475100000e-01 -2.1634600000e-01 -8.5267100000e-01
-ENERGY -1.526565398560e+02
-FORCES -4.6534000000e-03 -1.2832000000e-03  3.4424000000e-03  2.5720000000e-03 -2.1416000000e-03 -2.0745000000e-03  1.5555000000e-03  4.2590000000e-03 -4.8130000000e-04 -2.9808000000e-03  4.4765000000e-03 -3.7000000000e-04  1.8725000000e-03 -9.8640000000e-04  3.0396000000e-03  1.6342000000e-03 -4.3242000000e-03 -3.5562000000e-03
-
-JOB 64
-COORDS -1.1228260000e+00  8.0143300000e-01 -1.4647560000e+00 -2.0159610000e+00  9.4047400000e-01 -1.1497800000e+00 -6.8709700000e-01  1.6429900000e+00 -1.3300220000e+00  1.1801530000e+00 -8.7823200000e-01  1.4987250000e+00  1.4974510000e+00 -2.6469700000e-01  8.3605700000e-01  3.4675300000e-01 -1.1964440000e+00  1.1517130000e+00
-ENERGY -1.526559520116e+02
-FORCES -2.9695000000e-03  4.9285000000e-03  8.0580000000e-04  3.9499000000e-03 -7.7230000000e-04 -1.2133000000e-03 -1.3726000000e-03 -3.9908000000e-03 -2.3560000000e-04 -2.7395000000e-03  1.0550000000e-03 -5.4745000000e-03 -3.0470000000e-04 -1.8530000000e-03  3.3609000000e-03  3.4365000000e-03  6.3260000000e-04  2.7568000000e-03
-
-JOB 65
-COORDS  3.4820200000e-01 -1.8439980000e+00  8.6674700000e-01 -4.9584600000e-01 -2.2254300000e+00  1.1082530000e+00  4.9832400000e-01 -1.1604650000e+00  1.5197990000e+00 -2.7998400000e-01  1.8869680000e+00 -9.3026600000e-01 -9.7307000000e-02  1.0454210000e+00 -1.3481900000e+00 -9.6657700000e-01  1.6938650000e+00 -2.9188300000e-01
-ENERGY -1.526553583410e+02
-FORCES -1.8928000000e-03  2.2170000000e-04  4.7350000000e-03  3.3697000000e-03  2.1051000000e-03 -1.3117000000e-03 -1.2900000000e-03 -2.8800000000e-03 -3.0924000000e-03 -1.8174000000e-03 -5.1096000000e-03  3.7810000000e-04 -1.0445000000e-03  4.5353000000e-03  1.2819000000e-03  2.6750000000e-03  1.1275000000e-03 -1.9909000000e-03
-
-JOB 66
-COORDS  1.5180330000e+00 -1.3935850000e+00  2.3411500000e-01  1.2671320000e+00 -1.4011870000e+00  1.1578150000e+00  2.2735010000e+00 -1.9793900000e+00  1.8580800000e-01 -1.5483620000e+00  1.4722930000e+00 -3.2686300000e-01 -1.3959820000e+00  1.5782550000e+00  6.1217100000e-01 -1.6574080000e+00  5.2898800000e-01 -4.4735300000e-01
-ENERGY -1.526541589738e+02
-FORCES  3.1411000000e-03 -2.5191000000e-03  3.2972000000e-03  3.2250000000e-04  2.3920000000e-04 -3.8850000000e-03 -3.2040000000e-03  2.4290000000e-03  3.3140000000e-04  1.3844000000e-03 -4.0775000000e-03  2.7463000000e-03 -9.1380000000e-04 -3.1510000000e-04 -3.3725000000e-03 -7.3020000000e-04  4.2434000000e-03  8.8260000000e-04
-
-JOB 67
-COORDS  6.1886200000e-01 -1.5748460000e+00 -1.2473500000e+00  1.4014610000e+00 -2.0088950000e+00 -9.0768500000e-01  4.6984000000e-02 -2.2916220000e+00 -1.5219760000e+00 -5.9243800000e-01  1.6746050000e+00  1.2882950000e+00 -8.8438700000e-01  7.6724000000e-01  1.3759660000e+00 -9.4994200000e-01  1.9616140000e+00  4.4802800000e-01
-ENERGY -1.526551102715e+02
-FORCES  1.9382000000e-03 -4.9161000000e-03 -1.3180000000e-04 -3.5037000000e-03  1.5378000000e-03 -1.4934000000e-03  2.0906000000e-03  3.2257000000e-03  1.4064000000e-03 -1.8758000000e-03 -3.4851000000e-03 -4.2715000000e-03  4.7340000000e-04  4.0296000000e-03  7.8220000000e-04  8.7730000000e-04 -3.9190000000e-04  3.7081000000e-03
-
-JOB 68
-COORDS  9.5819500000e-01  1.1291720000e+00  1.6242330000e+00  7.9980500000e-01  1.6714520000e+00  2.3969400000e+00  1.8891620000e+00  1.2467440000e+00  1.4352650000e+00 -1.0138530000e+00 -1.0971850000e+00 -1.6556200000e+00 -4.4580800000e-01 -1.5730370000e+00 -2.2615260000e+00 -1.3576630000e+00 -1.7712740000e+00 -1.0694200000e+00
-ENERGY -1.526532170859e+02
-FORCES  3.0644000000e-03  2.9210000000e-03  1.7857000000e-03  5.7820000000e-04 -2.3553000000e-03 -3.1139000000e-03 -3.6788000000e-03 -5.6330000000e-04  9.8900000000e-04  1.2148000000e-03 -4.3702000000e-03  9.0810000000e-04 -2.2498000000e-03  1.9700000000e-03  2.2737000000e-03  1.0713000000e-03  2.3979000000e-03 -2.8427000000e-03
-
-JOB 69
-COORDS -1.0191250000e+00 -2.1181900000e+00  3.9042900000e-01 -1.3678480000e+00 -2.3626460000e+00  1.2476720000e+00 -1.9750300000e-01 -1.6673950000e+00  5.8524300000e-01  9.9093800000e-01  2.0527810000e+00 -4.0115800000e-01  3.7132800000e-01  2.2642430000e+00 -1.0994410000e+00  1.6623380000e+00  2.7322900000e+00 -4.6216600000e-01
-ENERGY -1.526553145581e+02
-FORCES  2.3540000000e-03  1.5477000000e-03  4.2498000000e-03  1.2835000000e-03  8.0860000000e-04 -3.3893000000e-03 -3.6762000000e-03 -2.8636000000e-03 -6.1760000000e-04 -2.6000000000e-05  3.8909000000e-03 -3.4332000000e-03  2.8186000000e-03 -6.2100000000e-04  2.9241000000e-03 -2.7539000000e-03 -2.7626000000e-03  2.6620000000e-04
-
-JOB 70
-COORDS  1.6307000000e-02 -1.7373600000e-01  2.3794130000e+00 -2.7873000000e-02  2.8175600000e-01  3.2201310000e+00  6.6980700000e-01 -8.6035900000e-01  2.5125220000e+00 -2.1754000000e-02  2.1121000000e-01 -2.4871870000e+00  3.4677300000e-01  1.1566000000e-01 -1.6089560000e+00 -9.1517200000e-01 -1.2363800000e-01 -2.4102850000e+00
-ENERGY -1.526554126492e+02
-FORCES  2.3275000000e-03 -6.7880000000e-04  4.8413000000e-03  2.5320000000e-04 -2.0589000000e-03 -3.3949000000e-03 -2.7071000000e-03  2.8948000000e-03 -9.3750000000e-04 -2.3767000000e-03 -1.4524000000e-03  4.7243000000e-03 -9.9110000000e-04  9.2000000000e-05 -4.4347000000e-03  3.4941000000e-03  1.2033000000e-03 -7.9850000000e-04
-
-JOB 71
-COORDS -8.2573800000e-01  1.3259880000e+00 -1.9651870000e+00 -1.1514900000e-01  1.6303290000e+00 -1.4006770000e+00 -1.6190570000e+00  1.6831930000e+00 -1.5660880000e+00  8.2644800000e-01 -1.3133250000e+00  1.9657640000e+00  1.3284650000e+00 -2.1271740000e+00  1.9226150000e+00  3.5603500000e-01 -1.2770810000e+00  1.1329200000e+00
-ENERGY -1.526550443896e+02
-FORCES -4.2450000000e-04  3.6280000000e-03  3.5507000000e-03 -3.0647000000e-03 -1.8187000000e-03 -2.3340000000e-03  3.3040000000e-03 -1.7130000000e-03 -1.6207000000e-03  5.1900000000e-05 -3.6440000000e-03 -3.6670000000e-03 -2.0086000000e-03  3.3241000000e-03  2.4670000000e-04  2.1420000000e-03  2.2370000000e-04  3.8244000000e-03
-
-JOB 72
-COORDS  8.8626700000e-01  1.9574320000e+00  1.3208100000e+00  1.7973910000e+00  1.6747630000e+00  1.2421780000e+00  9.3312400000e-01  2.7907890000e+00  1.7893740000e+00 -9.1681400000e-01 -2.0575300000e+00 -1.3424050000e+00 -1.7461300000e+00 -1.6993670000e+00 -1.0258840000e+00 -4.3576800000e-01 -1.2969220000e+00 -1.6684460000e+00
-ENERGY -1.526547929250e+02
-FORCES  4.0743000000e-03  2.2339000000e-03  2.0553000000e-03 -3.7951000000e-03  1.2910000000e-03  9.2800000000e-05 -1.8200000000e-04 -3.4082000000e-03 -1.9597000000e-03 -1.3815000000e-03  5.1500000000e-03  5.3850000000e-04  3.0654000000e-03 -1.8021000000e-03 -1.5568000000e-03 -1.7811000000e-03 -3.4646000000e-03  8.2980000000e-04
-
-JOB 73
-COORDS -5.4925000000e-01 -6.1762600000e-01  2.4802030000e+00  2.7860000000e-01 -9.2708500000e-01  2.8478050000e+00 -7.9185700000e-01  1.2794000000e-01  3.0292990000e+00  5.2648600000e-01  5.4171800000e-01 -2.4947110000e+00  1.0697660000e+00  1.3257820000e+00 -2.5742220000e+00 -2.1025900000e-01  6.9935700000e-01 -3.0851250000e+00
-ENERGY -1.526534097373e+02
-FORCES  2.6850000000e-03  1.7899000000e-03  3.2279000000e-03 -3.4498000000e-03  1.2446000000e-03 -1.2221000000e-03  8.9450000000e-04 -3.0088000000e-03 -2.1629000000e-03 -1.1508000000e-03  3.7392000000e-03 -2.3707000000e-03 -2.0909000000e-03 -3.1806000000e-03  2.9540000000e-04  3.1120000000e-03 -5.8430000000e-04  2.2324000000e-03
-
-JOB 74
-COORDS  5.3345100000e-01 -1.9176930000e+00 -1.7475130000e+00 -3.2245600000e-01 -2.3460350000e+00 -1.7341470000e+00  1.0496360000e+00 -2.3925090000e+00 -1.0961030000e+00 -5.4197500000e-01  2.0199950000e+00  1.7464360000e+00  1.3355300000e-01  1.4377730000e+00  2.0941600000e+00 -6.9756800000e-01  1.7027240000e+00  8.5685100000e-01
-ENERGY -1.526547082432e+02
-FORCES -1.2220000000e-03 -4.4352000000e-03  2.0600000000e-03  3.5642000000e-03  2.0342000000e-03  1.5310000000e-04 -2.2364000000e-03  2.2947000000e-03 -2.4505000000e-03  2.3614000000e-03 -3.6204000000e-03 -2.7101000000e-03 -2.7692000000e-03  2.2688000000e-03 -1.0832000000e-03  3.0200000000e-04  1.4579000000e-03  4.0308000000e-03
-
-JOB 75
-COORDS  1.5688800000e-01 -2.7036110000e+00 -5.6254000000e-02  2.0090000000e-03 -2.5459260000e+00 -9.8758600000e-01 -6.3929600000e-01 -2.3936220000e+00  3.7528800000e-01 -7.0927000000e-02  2.6930800000e+00  1.3058100000e-01 -4.2858000000e-01  3.3052720000e+00 -5.1248800000e-01 -3.8163600000e-01  1.8345130000e+00 -1.5673900000e-01
-ENERGY -1.526535973594e+02
-FORCES -3.7271000000e-03  1.2237000000e-03 -1.8290000000e-03  5.2820000000e-04 -2.4270000000e-04  3.9216000000e-03  3.3173000000e-03 -8.7650000000e-04 -2.0673000000e-03 -2.3845000000e-03 -9.5370000000e-04 -3.7591000000e-03  1.4220000000e-03 -2.6137000000e-03  2.6374000000e-03  8.4420000000e-04  3.4630000000e-03  1.0965000000e-03
-
-JOB 76
-COORDS  5.5242200000e-01 -8.3673800000e-01  2.7847670000e+00  5.0163000000e-02 -4.8344900000e-01  2.0504960000e+00  1.4316520000e+00 -4.7627900000e-01  2.6696330000e+00 -5.4302300000e-01  7.7251500000e-01 -2.6864400000e+00 -1.4651770000e+00  1.0290360000e+00 -2.6785720000e+00 -2.5507900000e-01  9.3964900000e-01 -3.5838730000e+00
-ENERGY -1.526547958531e+02
-FORCES  1.5819000000e-03  2.8970000000e-03 -4.0068000000e-03  1.8391000000e-03 -1.4339000000e-03  3.4800000000e-03 -3.4372000000e-03 -1.4605000000e-03  7.5380000000e-04 -2.5920000000e-03  1.6635000000e-03 -4.0665000000e-03  3.8324000000e-03 -1.0381000000e-03  1.5210000000e-04 -1.2241000000e-03 -6.2810000000e-04  3.6874000000e-03
-
-JOB 77
-COORDS -1.6750730000e+00 -1.6701300000e-01 -2.4184200000e+00 -1.7836640000e+00  3.7369100000e-01 -1.6360650000e+00 -2.1403560000e+00 -9.7859000000e-01 -2.2157230000e+00  1.6632280000e+00  1.9902900000e-01  2.3190330000e+00  1.9791300000e+00  7.1891400000e-01  3.0580580000e+00  2.1617770000e+00 -6.1656900000e-01  2.3688400000e+00
-ENERGY -1.526544339329e+02
-FORCES -1.9484000000e-03 -9.7120000000e-04  4.4597000000e-03  2.3600000000e-05 -2.1760000000e-03 -3.5176000000e-03  1.7774000000e-03  3.1743000000e-03 -9.7520000000e-04  3.6319000000e-03 -1.2089000000e-03  3.0977000000e-03 -1.3612000000e-03 -2.1346000000e-03 -2.9956000000e-03 -2.1233000000e-03  3.3164000000e-03 -6.8900000000e-05
-
-JOB 78
-COORDS  6.9120400000e-01  2.9333460000e+00  4.6918900000e-01  1.4347990000e+00  2.3438610000e+00  3.4347100000e-01  1.8614300000e-01  2.5347860000e+00  1.1779160000e+00 -7.4887200000e-01 -2.8440270000e+00 -4.6638400000e-01  1.8043000000e-01 -2.6369470000e+00 -5.6511300000e-01 -8.7770700000e-01 -3.6289990000e+00 -9.9878700000e-01
-ENERGY -1.526540716854e+02
-FORCES  6.2960000000e-04 -4.1391000000e-03  2.4026000000e-03 -2.8609000000e-03  2.3408000000e-03  4.3830000000e-04  2.2729000000e-03  1.7749000000e-03 -2.8329000000e-03  3.0680000000e-03 -2.5355000000e-03 -2.8601000000e-03 -3.6956000000e-03 -6.4760000000e-04  6.2520000000e-04  5.8600000000e-04  3.2065000000e-03  2.2269000000e-03
-
-JOB 79
-COORDS -3.9798500000e-01  1.2813600000e-01 -3.3770540000e+00 -8.9414000000e-02 -1.7236500000e-01 -4.2318730000e+00 -1.3461730000e+00  2.0999600000e-01 -3.4793760000e+00  3.9177800000e-01 -1.2660300000e-01  3.4895630000e+00  8.8710900000e-01  6.6867100000e-01  3.2935540000e+00  6.1105700000e-01 -7.2753100000e-01  2.7774990000e+00
-ENERGY -1.526544731880e+02
-FORCES -2.7274000000e-03 -8.4640000000e-04 -4.0179000000e-03 -1.2334000000e-03  1.2136000000e-03  3.5179000000e-03  3.9194000000e-03 -3.5270000000e-04  4.0960000000e-04  2.8832000000e-03  8.3840000000e-04 -4.0178000000e-03 -1.9758000000e-03 -3.1894000000e-03  9.8530000000e-04 -8.6590000000e-04  2.3365000000e-03  3.1229000000e-03
-
-JOB 80
-COORDS -9.4565500000e-01  3.5008880000e+00  6.5234300000e-01 -1.4298120000e+00  4.0529090000e+00  3.8261000000e-02 -2.7185000000e-02  3.7268160000e+00  5.0537600000e-01  8.9571700000e-01 -3.5221500000e+00 -6.6590100000e-01  4.4706800000e-01 -3.6961840000e+00  1.6154000000e-01  1.8077610000e+00 -3.7599720000e+00 -4.9902100000e-01
-ENERGY -1.526540596720e+02
-FORCES  1.7884000000e-03  3.0174000000e-03 -3.2832000000e-03  1.9577000000e-03 -2.1782000000e-03  2.5576000000e-03 -3.7292000000e-03 -8.3480000000e-04  6.9210000000e-04  1.7526000000e-03 -1.5335000000e-03  4.1674000000e-03  1.8973000000e-03  5.6970000000e-04 -3.4079000000e-03 -3.6668000000e-03  9.5940000000e-04 -7.2590000000e-04
-
-JOB 81
-COORDS  2.5543800000e-01 -3.1764840000e+00 -2.2054290000e+00  1.1425090000e+00 -2.9699340000e+00 -1.9110240000e+00 -2.8633000000e-01 -2.4738280000e+00 -1.8462710000e+00 -2.7429800000e-01  3.1852920000e+00  2.2035220000e+00 -7.5490000000e-02  3.0393680000e+00  1.2786360000e+00 -4.4596100000e-01  2.3108450000e+00  2.5529600000e+00
-ENERGY -1.526537418436e+02
-FORCES  1.4427000000e-03  3.5406000000e-03  2.5349000000e-03 -3.7122000000e-03 -7.3860000000e-04 -1.1384000000e-03  2.2593000000e-03 -2.7505000000e-03 -1.3588000000e-03  5.6300000000e-05 -3.9874000000e-03 -2.2229000000e-03 -7.9750000000e-04  4.2740000000e-04  3.7591000000e-03  7.5140000000e-04  3.5084000000e-03 -1.5739000000e-03
-
-JOB 82
-COORDS  4.6674000000e-02  3.3972140000e+00  1.9689410000e+00  8.5558500000e-01  3.8640820000e+00  2.1785320000e+00 -5.9387600000e-01  3.7336870000e+00  2.5956110000e+00 -5.1891000000e-02 -3.3809570000e+00 -1.9968700000e+00  1.3277500000e-01 -4.1689130000e+00 -1.4857380000e+00 -2.8544000000e-01 -3.7077590000e+00 -2.8657120000e+00
-ENERGY -1.526537607967e+02
-FORCES  6.9740000000e-04  3.1630000000e-03  3.3363000000e-03 -3.3058000000e-03 -1.8674000000e-03 -8.2920000000e-04  2.6109000000e-03 -1.3460000000e-03 -2.5393000000e-03 -2.1500000000e-04 -4.4328000000e-03 -1.3892000000e-03 -7.4660000000e-04  3.1732000000e-03 -2.1101000000e-03  9.5910000000e-04  1.3099000000e-03  3.5314000000e-03
-
-JOB 83
-COORDS -4.0230000000e-03  3.8653070000e+00  8.4081100000e-01  1.6222500000e-01  4.7354050000e+00  1.2034720000e+00 -7.5252600000e-01  3.9877030000e+00  2.5686300000e-01  8.3175000000e-02 -3.9181500000e+00 -7.7233200000e-01  2.7282000000e-01 -4.1737810000e+00 -1.6750610000e+00 -8.5520400000e-01 -3.7293060000e+00 -7.6847400000e-01
-ENERGY -1.526538768659e+02
-FORCES -2.3133000000e-03  4.0089000000e-03 -8.6940000000e-04 -6.9450000000e-04 -3.5449000000e-03 -1.4931000000e-03  3.0208000000e-03 -5.0520000000e-04  2.3626000000e-03 -3.0091000000e-03 -9.6100000000e-05 -3.6078000000e-03 -7.8930000000e-04  9.9270000000e-04  3.6650000000e-03  3.7853000000e-03 -8.5550000000e-04 -5.7400000000e-05
-
-JOB 84
-COORDS -4.9420700000e-01  4.1321170000e+00 -1.3298650000e+00 -1.3692830000e+00  3.7579470000e+00 -1.2275390000e+00 -2.5849000000e-01  4.4346200000e+00 -4.5284600000e-01  5.0349000000e-01 -4.0729860000e+00  1.3074260000e+00  1.3997770000e+00 -4.2343410000e+00  1.0126930000e+00  2.3821000000e-02 -4.8638620000e+00  1.0611250000e+00
-ENERGY -1.526541683385e+02
-FORCES -2.5941000000e-03 -4.5530000000e-04  4.0749000000e-03  3.5302000000e-03  1.6143000000e-03 -4.6990000000e-04 -9.5280000000e-04 -1.1432000000e-03 -3.5974000000e-03  1.7538000000e-03 -3.8741000000e-03 -2.2708000000e-03 -3.6672000000e-03  6.3100000000e-04  1.2391000000e-03  1.9301000000e-03  3.2274000000e-03  1.0241000000e-03
-
-JOB 85
-COORDS  5.4635700000e-01 -3.8804140000e+00 -1.9905820000e+00  5.3528900000e-01 -4.7884420000e+00 -2.2932300000e+00  1.0453890000e+00 -3.9056330000e+00 -1.1741490000e+00 -5.5918200000e-01  3.8834610000e+00  1.9185890000e+00 -7.1572200000e-01  4.7842790000e+00  1.6352980000e+00 -7.0443800000e-01  3.9006970000e+00  2.8645460000e+00
-ENERGY -1.526539529638e+02
-FORCES  1.9918000000e-03 -3.6684000000e-03  2.1744000000e-03  3.6400000000e-05  3.6852000000e-03  1.2121000000e-03 -2.0201000000e-03 -5.4000000000e-06 -3.3611000000e-03 -1.2788000000e-03  3.7306000000e-03  2.6178000000e-03  6.5280000000e-04 -3.6600000000e-03  1.1926000000e-03  6.1800000000e-04 -8.1900000000e-05 -3.8358000000e-03
-
-JOB 86
-COORDS  6.1791000000e-01  4.3507290000e+00  1.5987590000e+00  2.9172700000e-01  5.0111400000e+00  2.2100650000e+00  1.3012370000e+00  3.8898620000e+00  2.0854810000e+00 -6.8288000000e-01 -4.3122780000e+00 -1.6336950000e+00 -7.0976000000e-02 -4.8519230000e+00 -1.1331060000e+00 -5.6035700000e-01 -4.5898160000e+00 -2.5415450000e+00
-ENERGY -1.526539618652e+02
-FORCES  1.3962000000e-03  7.0910000000e-04  4.4668000000e-03  1.3484000000e-03 -2.6642000000e-03 -2.4943000000e-03 -2.7457000000e-03  1.9328000000e-03 -1.9701000000e-03  2.9948000000e-03 -3.2539000000e-03 -1.6974000000e-03 -2.4939000000e-03  2.1836000000e-03 -2.0200000000e-03 -4.9990000000e-04  1.0927000000e-03  3.7150000000e-03
-
-JOB 87
-COORDS -1.9815220000e+00  4.5756750000e+00  1.0450560000e+00 -2.0339790000e+00  3.7106400000e+00  6.3861400000e-01 -1.0545460000e+00  4.6854640000e+00  1.2569380000e+00  1.9634830000e+00 -4.4782110000e+00 -1.0079870000e+00  1.7279390000e+00 -4.6292460000e+00 -1.9233770000e+00  1.5824720000e+00 -5.2191520000e+00 -5.3674600000e-01
-ENERGY -1.526541993080e+02
-FORCES  3.6225000000e-03 -3.1326000000e-03 -7.8440000000e-04  1.6030000000e-04  3.5526000000e-03  1.6428000000e-03 -3.7952000000e-03 -4.0260000000e-04 -8.5870000000e-04 -2.4646000000e-03 -3.7343000000e-03 -1.8212000000e-03  9.3970000000e-04  6.6170000000e-04  3.7433000000e-03  1.5373000000e-03  3.0551000000e-03 -1.9218000000e-03
-
-JOB 88
-COORDS -8.3361400000e-01  4.5701100000e-01  5.0504350000e+00 -6.9834600000e-01  1.2613310000e+00  5.5514380000e+00 -1.4828350000e+00 -3.3451000000e-02  5.5546070000e+00  9.0716100000e-01 -4.4801500000e-01 -5.0630990000e+00  8.2401900000e-01 -2.1104600000e-01 -5.9867690000e+00  2.4768800000e-01 -1.1288480000e+00 -4.9297080000e+00
-ENERGY -1.526539881553e+02
-FORCES -2.0560000000e-03  1.3103000000e-03  4.0684000000e-03 -5.7070000000e-04 -3.2925000000e-03 -2.0220000000e-03  2.6359000000e-03  1.9887000000e-03 -2.0584000000e-03 -3.0516000000e-03 -1.8166000000e-03 -3.1295000000e-03  3.4860000000e-04 -9.6030000000e-04  3.7500000000e-03  2.6939000000e-03  2.7704000000e-03 -6.0860000000e-04
-
-JOB 89
-COORDS -8.4388960000e+00 -9.5964500000e+00 -6.5304680000e+00 -8.0215600000e+00 -8.8011270000e+00 -6.8614120000e+00 -7.8650760000e+00 -1.0306312000e+01 -6.8186670000e+00  8.4163290000e+00  9.5358200000e+00  6.5403400000e+00  7.5516630000e+00  9.5736360000e+00  6.9491850000e+00  8.7229720000e+00  1.0442569000e+01  6.5431240000e+00
-ENERGY -1.526540776709e+02
-FORCES  4.0458000000e-03  3.4870000000e-04 -2.5242000000e-03 -1.7039000000e-03 -3.2440000000e-03  1.3492000000e-03 -2.3419000000e-03  2.8952000000e-03  1.1748000000e-03 -2.2764000000e-03  3.8533000000e-03  1.6817000000e-03  3.5272000000e-03 -1.5440000000e-04 -1.6690000000e-03 -1.2507000000e-03 -3.6989000000e-03 -1.2500000000e-05
-
-JOB 0
-COORDS  6.0092900000e-01 -1.0376130000e+00 -3.0652400000e-01  1.0243820000e+00 -1.6668810000e+00  2.7737800000e-01  6.0024200000e-01 -1.4668870000e+00 -1.1620670000e+00 -6.7205700000e-01  1.1206070000e+00  3.7311400000e-01 -2.7524200000e-01  1.6542970000e+00 -3.1532300000e-01 -2.9782800000e-01  2.4872500000e-01  2.4659800000e-01
-ENERGY -1.526575786865e+02
-FORCES -6.5061000000e-03  8.6269000000e-03  1.9341000000e-03 -2.4212000000e-03  2.6459000000e-03 -4.1707000000e-03  1.7411000000e-03  1.2297000000e-03  4.8788000000e-03  1.1436200000e-02 -1.5296100000e-02 -7.1204000000e-03 -1.3772000000e-03 -1.1005000000e-03  9.5120000000e-04 -2.8728000000e-03  3.8941000000e-03  3.5269000000e-03
-
-JOB 1
-COORDS  1.0648830000e+00  5.9843000000e-01  5.5496200000e-01  7.5342900000e-01  1.2020030000e+00  1.2294460000e+00  2.6917900000e-01  2.9779800000e-01  1.1597800000e-01 -1.0170600000e+00 -5.6062800000e-01 -5.2515700000e-01 -9.8443100000e-01 -1.4880260000e+00 -2.9042300000e-01 -7.6081400000e-01 -5.3727300000e-01 -1.4471240000e+00
-ENERGY -1.526587486297e+02
-FORCES -1.7702500000e-02 -7.6020000000e-03 -6.3518000000e-03 -5.5000000000e-04 -2.3124000000e-03 -2.1140000000e-03  9.0200000000e-03  4.8463000000e-03  1.1650000000e-04  8.8107000000e-03 -4.3220000000e-04  3.9147000000e-03 -3.7710000000e-04  4.9292000000e-03 -2.4782000000e-03  7.9890000000e-04  5.7100000000e-04  6.9128000000e-03
-
-JOB 2
-COORDS  1.0536890000e+00  6.9616100000e-01 -1.2639600000e-01  7.1138200000e-01  1.5722010000e+00  5.1400000000e-02  1.7262920000e+00  5.6127100000e-01  5.4116800000e-01 -1.1371030000e+00 -7.1190800000e-01  8.5975000000e-02 -9.2365600000e-01 -1.6446170000e+00  1.1290900000e-01 -3.1299900000e-01 -2.8372000000e-01 -1.4584100000e-01
-ENERGY -1.526585250160e+02
-FORCES -8.6873000000e-03 -4.2636000000e-03  5.8201000000e-03  1.9890000000e-03 -5.4762000000e-03 -4.7050000000e-04 -3.2180000000e-03  1.5706000000e-03 -3.3328000000e-03  1.7601200000e-02  8.2558000000e-03 -2.3537000000e-03  1.3566000000e-03  3.0907000000e-03  2.9000000000e-04 -9.0415000000e-03 -3.1774000000e-03  4.6900000000e-05
-
-JOB 3
-COORDS -7.1871800000e-01 -7.7755100000e-01 -7.1016000000e-01 -7.9547000000e-01 -1.4877200000e+00 -7.2977000000e-02 -1.6088670000e+00 -6.5333600000e-01 -1.0394570000e+00  7.7501600000e-01  7.9601200000e-01  7.6230100000e-01  1.3372580000e+00  1.3932260000e+00  2.6889300000e-01  1.6425800000e-01  4.4910900000e-01  1.1202000000e-01
-ENERGY -1.526598065844e+02
-FORCES  3.0113000000e-03  1.9003000000e-03  7.0812000000e-03 -1.1468000000e-03  4.1868000000e-03 -4.0943000000e-03  4.6714000000e-03 -6.8390000000e-04  2.4610000000e-03 -8.9278000000e-03 -8.8069000000e-03 -1.1445200000e-02 -2.8712000000e-03 -2.1897000000e-03 -1.8860000000e-04  5.2632000000e-03  5.5934000000e-03  6.1859000000e-03
-
-JOB 4
-COORDS  1.6819100000e-01 -6.2220500000e-01  1.1005050000e+00  7.8649200000e-01 -1.3389040000e+00  9.5810200000e-01  5.8998800000e-01 -6.8322000000e-02  1.7574160000e+00 -2.5344700000e-01  6.1059300000e-01 -1.2006450000e+00 -1.0593300000e-01  2.9136000000e-02 -4.5473600000e-01 -6.0158000000e-02  1.4857780000e+00 -8.6460600000e-01
-ENERGY -1.526573125335e+02
-FORCES  1.8377000000e-03  5.9148000000e-03 -5.4565000000e-03 -3.4471000000e-03  5.4152000000e-03 -6.8240000000e-04 -1.5779000000e-03 -3.2500000000e-03 -3.6761000000e-03  2.7580000000e-03 -6.5536000000e-03  1.9111100000e-02  5.6880000000e-04  3.6560000000e-04 -8.8615000000e-03 -1.3960000000e-04 -1.8920000000e-03 -4.3460000000e-04
-
-JOB 5
-COORDS  1.2758640000e+00 -5.7987000000e-02  1.1961000000e-01  1.6193070000e+00 -3.9159600000e-01  9.4845400000e-01  1.4170170000e+00  8.8767900000e-01  1.6459900000e-01 -1.3610400000e+00  6.6410000000e-02 -1.6591800000e-01 -4.2419600000e-01  2.4166000000e-01 -7.7359000000e-02 -1.4121690000e+00 -8.6696700000e-01 -3.7189300000e-01
-ENERGY -1.526561798802e+02
-FORCES -6.4324000000e-03 -1.6430000000e-04  3.5584000000e-03 -1.2042000000e-03  2.1986000000e-03 -4.7015000000e-03 -6.0773000000e-03 -6.1377000000e-03  2.1300000000e-05  1.9328100000e-02 -6.0250000000e-03  9.5060000000e-04 -4.3668000000e-03  8.3107000000e-03 -7.5040000000e-04 -1.2474000000e-03  1.8176000000e-03  9.2170000000e-04
-
-JOB 6
-COORDS  9.5011700000e-01 -9.6025100000e-01  2.6829100000e-01  2.2163300000e-01 -3.3950100000e-01  2.5372500000e-01  1.5409610000e+00 -6.5306000000e-01 -4.1929200000e-01 -9.2772800000e-01  8.9151700000e-01 -1.6493000000e-01 -5.5151500000e-01  1.5890940000e+00 -7.0166300000e-01 -1.5475400000e+00  4.4983400000e-01 -7.4543100000e-01
-ENERGY -1.526582212469e+02
-FORCES -1.1439600000e-02  1.4582900000e-02 -3.8713000000e-03  4.8819000000e-03 -8.0412000000e-03  7.0290000000e-04 -1.7857000000e-03 -2.1900000000e-04  1.3065000000e-03  5.2230000000e-03 -3.7286000000e-03 -2.9801000000e-03 -1.7789000000e-03 -4.7016000000e-03  1.8971000000e-03  4.8993000000e-03  2.1075000000e-03  2.9448000000e-03
-
-JOB 7
-COORDS  4.4256000000e-01 -1.1248160000e+00 -5.2119000000e-01 -4.7560600000e-01 -1.3856350000e+00 -4.4925000000e-01  8.7361400000e-01 -1.5583630000e+00  2.1533000000e-01 -4.0501200000e-01  1.1831930000e+00  5.3795000000e-01 -1.1143700000e-01  4.0332600000e-01  6.6937000000e-02 -8.6611400000e-01  1.7021800000e+00 -1.2104100000e-01
-ENERGY -1.526580973536e+02
-FORCES -1.6203000000e-03  1.3062000000e-03  6.2520000000e-03  5.2240000000e-03  6.7895000000e-03  8.2020000000e-04 -3.3299000000e-03  2.6940000000e-03 -4.0208000000e-03  7.6454000000e-03 -1.2148800000e-02 -8.9567000000e-03 -9.1669000000e-03  5.0344000000e-03  4.9700000000e-03  1.2476000000e-03 -3.6754000000e-03  9.3530000000e-04
-
-JOB 8
-COORDS -5.5170900000e-01  1.1330320000e+00 -5.8668000000e-02 -1.4226840000e+00  1.2455890000e+00 -4.3941200000e-01 -2.9917800000e-01  2.0111520000e+00  2.2657800000e-01  6.4769700000e-01 -1.1976960000e+00  8.0760000000e-02  1.9255200000e-01 -3.8106700000e-01 -1.2464900000e-01 -1.9573000000e-02 -1.8764280000e+00 -2.0759000000e-02
-ENERGY -1.526577991703e+02
-FORCES  5.5401000000e-03 -6.6686000000e-03  1.6826000000e-03  4.5220000000e-03 -4.4990000000e-04  2.3128000000e-03 -3.6340000000e-03 -3.2707000000e-03 -2.0992000000e-03 -8.5645000000e-03  1.4541900000e-02 -2.8230000000e-04  1.5806000000e-03 -7.4653000000e-03 -1.3715000000e-03  5.5580000000e-04  3.3125000000e-03 -2.4240000000e-04
-
-JOB 9
-COORDS  4.1645400000e-01 -1.0780900000e+00  5.7957600000e-01 -2.2177900000e-01 -1.7808090000e+00  4.5678800000e-01  4.4153300000e-01 -9.3940400000e-01  1.5263440000e+00 -4.1735400000e-01  1.1342630000e+00 -6.8008600000e-01 -1.2963000000e-02  1.6574690000e+00  1.1980000000e-02 -1.9189800000e-01  2.3031500000e-01 -4.6036200000e-01
-ENERGY -1.526573499414e+02
-FORCES -4.2219000000e-03  6.1977000000e-03  1.3380000000e-03  2.7024000000e-03  5.6352000000e-03 -1.2800000000e-04 -2.0750000000e-04 -1.1400000000e-03 -4.7514000000e-03  8.3592000000e-03 -1.3405700000e-02  1.0802300000e-02 -1.4359000000e-03 -3.4830000000e-04 -1.1898000000e-03 -5.1963000000e-03  3.0611000000e-03 -6.0711000000e-03
-
-JOB 10
-COORDS  9.5425000000e-02 -6.4076100000e-01 -1.2417490000e+00  1.3725200000e-01 -4.2340600000e-01 -3.1049200000e-01 -1.5817700000e-01  1.7786200000e-01 -1.6680980000e+00 -8.9348000000e-02  5.4249500000e-01  1.1645510000e+00 -2.4752000000e-02  3.3486200000e-01  2.0967250000e+00 -4.2531000000e-02  1.4978370000e+00  1.1276700000e+00
-ENERGY -1.526584383428e+02
-FORCES -2.2613000000e-03  8.7149000000e-03  1.3464300000e-02  1.1359000000e-03 -3.9786000000e-03 -5.9213000000e-03  9.4960000000e-04 -1.4699000000e-03  8.2750000000e-04  1.0254000000e-03 -8.6080000000e-04 -4.8291000000e-03 -2.7310000000e-04  2.2832000000e-03 -4.5227000000e-03 -5.7650000000e-04 -4.6888000000e-03  9.8130000000e-04
-
-JOB 11
-COORDS  6.0157600000e-01  5.6264300000e-01  1.1321960000e+00  5.2537000000e-02  3.7670900000e-01  3.7047600000e-01  1.4599860000e+00  7.7186300000e-01  7.6396800000e-01 -6.2931200000e-01 -5.0558600000e-01 -1.0543370000e+00 -8.3910500000e-01 -1.2565020000e+00 -4.9904900000e-01 -2.2402000000e-01 -8.8831700000e-01 -1.8324680000e+00
-ENERGY -1.526589741000e+02
-FORCES -3.1629000000e-03 -3.0023000000e-03 -1.4642700000e-02  1.2890000000e-04 -4.7960000000e-04  9.1513000000e-03 -1.9455000000e-03 -7.1790000000e-04  1.1388000000e-03  5.1539000000e-03 -2.1659000000e-03  2.7377000000e-03  2.1188000000e-03  5.7269000000e-03 -2.3428000000e-03 -2.2932000000e-03  6.3880000000e-04  3.9577000000e-03
-
-JOB 12
-COORDS -1.8454900000e-01  2.8673100000e-01  1.2620220000e+00  6.6684300000e-01  5.1560500000e-01  1.6348240000e+00 -8.1518700000e-01  5.1843300000e-01  1.9438150000e+00  1.2157100000e-01 -3.4589900000e-01 -1.3638960000e+00  3.1929000000e-02 -5.5972000000e-02 -4.5607600000e-01  1.0144970000e+00 -1.0123200000e-01 -1.6069050000e+00
-ENERGY -1.526589127522e+02
-FORCES -1.3711000000e-03 -3.1790000000e-04 -2.8565000000e-03 -4.4093000000e-03 -8.1360000000e-04 -2.7977000000e-03  4.7729000000e-03 -7.9850000000e-04 -1.4932000000e-03 -1.3351000000e-03  3.6628000000e-03  1.2308900000e-02  4.6401000000e-03 -1.4119000000e-03 -7.7310000000e-03 -2.2975000000e-03 -3.2100000000e-04  2.5694000000e-03
-
-JOB 13
-COORDS  5.4031000000e-02  2.0194400000e-01 -1.3174030000e+00 -8.0810000000e-02  1.1396730000e+00 -1.4542060000e+00  7.2031100000e-01 -4.1004000000e-02 -1.9602700000e+00 -4.1476000000e-02 -2.5307600000e-01  1.4069070000e+00 -9.8850100000e-01 -1.1487400000e-01  1.4235220000e+00  2.0320100000e-01 -1.2837300000e-01  4.8994800000e-01
-ENERGY -1.526604456561e+02
-FORCES  1.2877000000e-03  1.5572000000e-03  4.8360000000e-04  9.0830000000e-04 -5.2627000000e-03  9.1760000000e-04 -3.3491000000e-03  2.2216000000e-03  3.3233000000e-03 -2.2398000000e-03  1.1033000000e-03 -1.4369100000e-02  2.4121000000e-03  4.5760000000e-04  4.9640000000e-04  9.8080000000e-04 -7.7100000000e-05  9.1482000000e-03
-
-JOB 14
-COORDS  6.5752100000e-01 -1.1416350000e+00  2.9030300000e-01  1.6948000000e-01 -1.7690360000e+00 -2.4300500000e-01  6.1855400000e-01 -1.4992020000e+00  1.1773540000e+00 -6.8026200000e-01  1.2060980000e+00 -3.5150500000e-01 -2.7781000000e-01  1.8715670000e+00  2.0653900000e-01 -1.4902300000e-01  4.2224700000e-01 -2.1152500000e-01
-ENERGY -1.526606574995e+02
-FORCES -4.2254000000e-03 -4.3950000000e-04  2.3552000000e-03  1.9652000000e-03  4.5791000000e-03  3.1982000000e-03  3.9870000000e-04  7.2120000000e-04 -4.7111000000e-03  8.8804000000e-03 -9.3056000000e-03  5.2093000000e-03 -1.1167000000e-03 -2.1664000000e-03 -9.7200000000e-04 -5.9022000000e-03  6.6111000000e-03 -5.0796000000e-03
-
-JOB 15
-COORDS  3.1614000000e-02  1.3720620000e+00  3.4950000000e-03  4.6844000000e-01  1.2615470000e+00  8.4800800000e-01 -8.0959200000e-01  1.7746070000e+00  2.1927800000e-01  7.3630000000e-03 -1.4149830000e+00  9.7000000000e-04 -1.3120000000e-03 -4.9239800000e-01 -2.5396800000e-01 -2.5715000000e-01 -1.8849830000e+00 -7.8983000000e-01
-ENERGY -1.526614256990e+02
-FORCES -2.0684000000e-03 -2.8160000000e-04  5.4481000000e-03 -3.1893000000e-03 -5.9770000000e-04 -5.4352000000e-03  4.3369000000e-03 -1.9565000000e-03 -7.4400000000e-04 -6.8450000000e-04  1.0722500000e-02 -3.6228000000e-03  1.3407000000e-03 -1.0786000000e-02  2.3734000000e-03  2.6460000000e-04  2.8993000000e-03  1.9806000000e-03
-
-JOB 16
-COORDS  8.5432800000e-01  9.0880000000e-03  1.0305700000e+00  5.4004400000e-01  3.7590400000e-01  1.8569500000e+00  1.3109570000e+00 -7.9355600000e-01  1.2825340000e+00 -8.6399300000e-01 -3.3511000000e-02 -1.1412640000e+00 -1.7698300000e-01  7.5088000000e-02 -4.8365100000e-01 -1.4967020000e+00  6.5703300000e-01 -9.4362800000e-01
-ENERGY -1.526603218234e+02
-FORCES -3.4126000000e-03 -2.8350000000e-03  1.8450000000e-04  1.8301000000e-03 -2.1904000000e-03 -3.6037000000e-03 -2.1831000000e-03  4.4269000000e-03  8.4000000000e-05  7.0981000000e-03  2.1334000000e-03  1.1035000000e-02 -5.3160000000e-03  3.0600000000e-04 -8.0578000000e-03  1.9836000000e-03 -1.8410000000e-03  3.5810000000e-04
-
-JOB 17
-COORDS  8.3233900000e-01  1.0047520000e+00  3.8696200000e-01  4.3671700000e-01  1.2368400000e+00  1.2271110000e+00  8.4514600000e-01  1.8246040000e+00 -1.0691100000e-01 -7.9554800000e-01 -1.1298320000e+00 -4.1400200000e-01 -3.9220000000e-01 -4.8922500000e-01  1.7180000000e-01 -1.4645610000e+00 -6.3479100000e-01 -8.8685200000e-01
-ENERGY -1.526561372164e+02
-FORCES -9.3580000000e-04  2.9388000000e-03 -3.0944000000e-03 -7.4290000000e-04 -4.3313000000e-03 -6.1340000000e-03 -2.0150000000e-04 -3.4712000000e-03  3.3396000000e-03  6.2932000000e-03  1.1658900000e-02  9.2600000000e-04 -6.2079000000e-03 -5.3480000000e-03  3.6578000000e-03  1.7949000000e-03 -1.4473000000e-03  1.3051000000e-03
-
-JOB 18
-COORDS  9.3153000000e-02  1.1594110000e+00 -6.5793200000e-01  4.6798000000e-01  1.1290960000e+00 -1.5381700000e+00  3.0150000000e-02  2.0929320000e+00 -4.5594000000e-01 -6.6297000000e-02 -1.2504200000e+00  6.7248700000e-01 -3.2482000000e-01 -3.9296700000e-01  3.3459300000e-01 -6.2176500000e-01 -1.3830880000e+00  1.4406570000e+00
-ENERGY -1.526601144171e+02
-FORCES  2.4132000000e-03 -1.4862000000e-03 -7.5630000000e-04 -1.8447000000e-03  2.1106000000e-03  3.9788000000e-03  5.7540000000e-04 -4.0608000000e-03 -1.6716000000e-03 -6.8300000000e-04  9.5010000000e-03 -3.5735000000e-03 -2.0137000000e-03 -8.2486000000e-03  4.6157000000e-03  1.5529000000e-03  2.1840000000e-03 -2.5931000000e-03
-
-JOB 19
-COORDS  1.2707030000e+00 -6.1902000000e-01  2.3114200000e-01  4.0430500000e-01 -3.3989000000e-01 -6.4954000000e-02  1.7457980000e+00 -8.2208600000e-01 -5.7463700000e-01 -1.2530510000e+00  5.5254000000e-01 -1.3905600000e-01 -1.0037380000e+00  1.3602460000e+00  3.1003800000e-01 -1.4243010000e+00  8.2262600000e-01 -1.0412530000e+00
-ENERGY -1.526606415830e+02
-FORCES -1.0667600000e-02  2.9140000000e-03 -3.5841000000e-03  1.1261000000e-02 -2.6633000000e-03  4.7430000000e-04 -2.8863000000e-03  1.4369000000e-03  1.7526000000e-03  5.8270000000e-04  4.8632000000e-03  3.1270000000e-04 -9.2850000000e-04 -4.7359000000e-03 -3.5019000000e-03  2.6385000000e-03 -1.8148000000e-03  4.5465000000e-03
-
-JOB 20
-COORDS -7.1550900000e-01  7.4120100000e-01  1.0096040000e+00 -1.4329890000e+00  1.1806500000e+00  5.5316300000e-01 -2.4192300000e-01  2.7566300000e-01  3.2024000000e-01  6.7195300000e-01 -7.1104100000e-01 -9.2129100000e-01  8.6966800000e-01 -1.6380420000e+00 -1.0547430000e+00  1.4814700000e+00 -2.5691400000e-01 -1.1551360000e+00
-ENERGY -1.526613260366e+02
-FORCES  3.5313000000e-03 -6.4283000000e-03 -9.4261000000e-03  2.4389000000e-03 -1.4462000000e-03  7.3470000000e-04 -3.2570000000e-03  7.4858000000e-03  5.7414000000e-03  9.2370000000e-04 -1.7462000000e-03  2.2930000000e-03  6.9260000000e-04  4.7896000000e-03 -7.7350000000e-04 -4.3295000000e-03 -2.6546000000e-03  1.4305000000e-03
-
-JOB 21
-COORDS -4.3418100000e-01  3.6303000000e-02 -1.2775980000e+00 -9.2876500000e-01  7.4412400000e-01 -1.6906450000e+00 -6.8450700000e-01 -7.4804900000e-01 -1.7658200000e+00  4.5915100000e-01  3.1146000000e-02  1.3696780000e+00  6.4404400000e-01 -8.5487700000e-01  1.6811420000e+00  5.4607900000e-01 -2.5941000000e-02  4.1814500000e-01
-ENERGY -1.526587082250e+02
-FORCES -3.2372000000e-03  1.0776000000e-03  1.5671000000e-03  1.7050000000e-03 -4.1934000000e-03  5.3880000000e-04  9.9730000000e-04  3.6770000000e-03  2.2031000000e-03 -3.0114000000e-03 -2.1136000000e-03 -1.0008000000e-02 -9.6360000000e-04  2.3698000000e-03 -1.9509000000e-03  4.5099000000e-03 -8.1740000000e-04  7.6499000000e-03
-
-JOB 22
-COORDS  1.2844830000e+00 -4.8287800000e-01 -3.9280000000e-02  1.7277040000e+00  2.6458500000e-01 -4.4063400000e-01  1.4803840000e+00 -1.2181720000e+00 -6.1996800000e-01 -1.3213530000e+00  5.5058000000e-01  9.6130000000e-02 -2.0901720000e+00  2.2224000000e-02  3.1058300000e-01 -6.2053700000e-01 -8.7935000000e-02 -3.5731000000e-02
-ENERGY -1.526604120323e+02
-FORCES  3.0105000000e-03  3.5625000000e-03 -2.6503000000e-03 -1.7724000000e-03 -4.9147000000e-03  1.4415000000e-03 -2.7312000000e-03  3.9676000000e-03  2.6722000000e-03  8.3974000000e-03 -5.6478000000e-03  9.4410000000e-04  3.7381000000e-03  3.3530000000e-04 -9.6350000000e-04 -1.0642300000e-02  2.6971000000e-03 -1.4440000000e-03
-
-JOB 23
-COORDS  6.7882100000e-01 -4.5673000000e-02 -1.2046130000e+00  2.8967800000e-01 -2.3416300000e-01 -2.0585870000e+00  8.2281600000e-01  9.0061800000e-01 -1.2100990000e+00 -6.8184900000e-01 -4.4712000000e-02  1.3067430000e+00 -9.7445100000e-01  8.6205100000e-01  1.2151060000e+00 -9.6109000000e-02 -1.8423400000e-01  5.6265100000e-01
-ENERGY -1.526592339786e+02
-FORCES -3.0362000000e-03  1.4451000000e-03 -3.0787000000e-03  2.5868000000e-03  2.2497000000e-03  3.4912000000e-03 -2.4174000000e-03 -4.8873000000e-03  1.6040000000e-03  4.1855000000e-03  9.8960000000e-04 -1.0852800000e-02  1.3489000000e-03 -2.1696000000e-03 -8.5300000000e-05 -2.6676000000e-03  2.3725000000e-03  8.9217000000e-03
-
-JOB 24
-COORDS -4.4920000000e-01  2.1091500000e-01  1.3977750000e+00 -5.3194200000e-01  2.4475400000e-01  4.4475900000e-01  4.5173500000e-01 -7.4093000000e-02  1.5504770000e+00  3.9478100000e-01 -1.5248200000e-01 -1.2867660000e+00  7.3046100000e-01 -1.0448240000e+00 -1.3720670000e+00  1.2717000000e-01  8.9042000000e-02 -2.1734920000e+00
-ENERGY -1.526597275183e+02
-FORCES  6.2479000000e-03 -9.6890000000e-04 -1.1104500000e-02 -4.0274000000e-03  1.0955000000e-03  6.8387000000e-03 -2.4342000000e-03 -2.9200000000e-04  1.0964000000e-03  2.9550000000e-04 -2.7331000000e-03 -1.3774000000e-03 -1.2297000000e-03  4.7138000000e-03  1.6740000000e-04  1.1479000000e-03 -1.8153000000e-03  4.3795000000e-03
-
-JOB 25
-COORDS -4.3802100000e-01 -7.4835500000e-01  1.0401150000e+00 -3.2814600000e-01 -1.6967410000e+00  1.1088430000e+00 -8.5224700000e-01 -4.9436200000e-01  1.8648190000e+00  4.3417800000e-01  8.4364800000e-01 -1.1056780000e+00  1.3174700000e-01  2.4706400000e-01 -4.2094800000e-01  1.1439140000e+00  3.7046100000e-01 -1.5399600000e+00
-ENERGY -1.526608523686e+02
-FORCES -4.1380000000e-04  1.0542000000e-03  8.4530000000e-04 -5.1590000000e-04  4.5925000000e-03  4.0270000000e-04  1.8395000000e-03 -3.1958000000e-03 -3.1737000000e-03 -1.8013000000e-03 -7.4120000000e-03  8.1221000000e-03  3.2075000000e-03  4.4671000000e-03 -7.8987000000e-03 -2.3159000000e-03  4.9400000000e-04  1.7023000000e-03
-
-JOB 26
-COORDS  7.8235600000e-01 -3.4493300000e-01 -1.1358070000e+00  1.4887030000e+00 -8.7948100000e-01 -7.7308700000e-01  1.1320620000e+00  5.4609800000e-01 -1.1369940000e+00 -8.4556700000e-01  3.8712300000e-01  1.1117620000e+00 -6.8932600000e-01 -2.4731200000e-01  4.1225400000e-01 -9.4873500000e-01 -1.4561300000e-01  1.9002920000e+00
-ENERGY -1.526594048419e+02
-FORCES  4.6603000000e-03  5.0209000000e-03  3.4190000000e-03 -3.8738000000e-03  2.0202000000e-03 -9.1820000000e-04 -5.9030000000e-04 -4.8362000000e-03 -1.2200000000e-03  2.8790000000e-03 -5.0313000000e-03 -5.7234000000e-03 -4.6400000000e-03  1.8331000000e-03  8.0197000000e-03  1.5649000000e-03  9.9320000000e-04 -3.5770000000e-03
-
-JOB 27
-COORDS  1.0064120000e+00  2.0431000000e-02 -9.7035000000e-01  1.7808070000e+00 -1.5966000000e-02 -4.0890700000e-01  1.2422760000e+00 -4.9964500000e-01 -1.7385430000e+00 -1.1229780000e+00  4.3976000000e-02  9.9392200000e-01 -7.2243000000e-01 -5.7845500000e-01  1.6008590000e+00 -5.0641100000e-01  9.7796000000e-02  2.6373000000e-01
-ENERGY -1.526605312442e+02
-FORCES  2.5714000000e-03 -2.3022000000e-03 -1.4111000000e-03 -4.5645000000e-03 -8.3920000000e-04 -2.3825000000e-03  4.5960000000e-04  2.5144000000e-03  4.0448000000e-03  7.7733000000e-03 -2.3993000000e-03 -6.5430000000e-03 -5.9160000000e-04  2.0649000000e-03 -1.5729000000e-03 -5.6482000000e-03  9.6150000000e-04  7.8647000000e-03
-
-JOB 28
-COORDS  2.3932100000e-01 -4.9089700000e-01  1.3939300000e+00  5.6954000000e-02  2.9088500000e-01  1.9152650000e+00  3.6041900000e-01 -1.6240100000e-01  5.0305600000e-01 -2.4004000000e-01  4.7499100000e-01 -1.3309500000e+00  5.3829200000e-01  1.4742000000e-02 -1.6449590000e+00 -9.7271800000e-01  1.3080000000e-02 -1.7384460000e+00
-ENERGY -1.526588874070e+02
-FORCES -3.3182000000e-03  7.3371000000e-03 -7.4336000000e-03  6.0580000000e-04 -2.7039000000e-03 -1.1369000000e-03  5.8638000000e-03 -4.7854000000e-03  5.4200000000e-03 -3.3500000000e-03 -4.0204000000e-03 -3.4567000000e-03 -3.9146000000e-03  1.6358000000e-03  5.7717000000e-03  4.1133000000e-03  2.5367000000e-03  8.3540000000e-04
-
-JOB 29
-COORDS  3.3622200000e-01  5.2363100000e-01 -1.3598420000e+00  1.1674300000e-01  1.0814500000e-01 -5.2591600000e-01 -4.3057100000e-01  3.7240100000e-01 -1.9124630000e+00 -2.3609700000e-01 -4.9025900000e-01  1.2911170000e+00 -9.7001200000e-01 -1.0614130000e+00  1.5177980000e+00 -1.9530300000e-01  1.4369000000e-01  2.0071310000e+00
-ENERGY -1.526614262034e+02
-FORCES -4.0870000000e-03 -4.3795000000e-03  8.0232000000e-03  1.8450000000e-03  3.5989000000e-03 -9.7339000000e-03  1.9532000000e-03  5.0200000000e-05  2.1656000000e-03 -1.8527000000e-03  1.3427000000e-03  3.1326000000e-03  3.1915000000e-03  3.3190000000e-03 -7.8330000000e-04 -1.0499000000e-03 -3.9313000000e-03 -2.8041000000e-03
-
-JOB 30
-COORDS -8.6684000000e-01 -9.3433000000e-01 -5.6040800000e-01 -6.3011500000e-01 -1.8281960000e+00 -8.0779000000e-01 -1.7555070000e+00 -8.1952300000e-01 -8.9704100000e-01  9.5794000000e-01  1.0074030000e+00  5.5521300000e-01  2.4079800000e-01  4.4803700000e-01  2.5680200000e-01  8.3348900000e-01  1.0725080000e+00  1.5020530000e+00
-ENERGY -1.526615631203e+02
-FORCES  5.7400000000e-05 -2.5198000000e-03 -2.1810000000e-03 -2.9130000000e-03  3.6557000000e-03  5.7780000000e-04  4.1226000000e-03 -1.4611000000e-03  1.5085000000e-03 -6.5848000000e-03 -6.3925000000e-03 -1.2107000000e-03  5.3730000000e-03  7.2791000000e-03  4.2913000000e-03 -5.5200000000e-05 -5.6150000000e-04 -2.9859000000e-03
-
-JOB 31
-COORDS  9.8521400000e-01  9.4521000000e-01 -5.9339400000e-01  5.3069500000e-01  1.5305200000e-01 -3.0681200000e-01  1.8933350000e+00  6.6925300000e-01 -7.1747500000e-01 -9.7858700000e-01 -8.4712500000e-01  5.4920900000e-01 -1.3783740000e+00 -6.8019300000e-01  1.4027520000e+00 -1.1909190000e+00 -1.7609630000e+00  3.5934700000e-01
-ENERGY -1.526607693045e+02
-FORCES -3.7477000000e-03 -6.4545000000e-03  3.1976000000e-03  7.7021000000e-03  5.0783000000e-03 -4.6167000000e-03 -3.4498000000e-03 -1.1480000000e-04  7.1070000000e-04 -2.7574000000e-03 -3.1740000000e-04  3.2667000000e-03  9.5950000000e-04 -2.4413000000e-03 -3.9284000000e-03  1.2934000000e-03  4.2497000000e-03  1.3702000000e-03
-
-JOB 32
-COORDS -5.3342000000e-01 -1.4239070000e+00 -2.2375000000e-02 -1.7417700000e-01 -1.6027540000e+00  8.4664200000e-01 -4.2869900000e-01 -4.7921200000e-01 -1.3558400000e-01  4.5005000000e-01  1.3784060000e+00  2.3397000000e-02  1.3435570000e+00  1.1444300000e+00  2.7466000000e-01  5.2067700000e-01  1.6458420000e+00 -8.9296600000e-01
-ENERGY -1.526602689916e+02
-FORCES  2.7112000000e-03  9.8001000000e-03  3.7957000000e-03 -3.3570000000e-04  2.5000000000e-06 -2.7789000000e-03 -2.3018000000e-03 -9.1456000000e-03 -2.3793000000e-03  5.6674000000e-03  1.5546000000e-03 -2.2463000000e-03 -4.9758000000e-03  4.8420000000e-04 -1.1316000000e-03 -7.6530000000e-04 -2.6959000000e-03  4.7404000000e-03
-
-JOB 33
-COORDS -1.9604200000e-01 -1.3223520000e+00  5.0375000000e-01  7.4907000000e-01 -1.3395840000e+00  6.5441000000e-01 -5.6310600000e-01 -1.8365350000e+00  1.2228550000e+00  2.1471500000e-01  1.3555860000e+00 -5.9649100000e-01 -3.0522000000e-01  2.1029630000e+00 -3.0097800000e-01 -1.8884500000e-01  5.9916400000e-01 -1.7081800000e-01
-ENERGY -1.526612655709e+02
-FORCES  2.6554000000e-03 -3.1498000000e-03  3.1981000000e-03 -5.7211000000e-03  4.9840000000e-04 -1.3810000000e-04  2.5395000000e-03  1.9364000000e-03 -3.0309000000e-03 -4.8882000000e-03 -5.0426000000e-03  3.6645000000e-03  1.3089000000e-03 -2.9627000000e-03 -5.0450000000e-04  4.1055000000e-03  8.7202000000e-03 -3.1892000000e-03
-
-JOB 34
-COORDS  7.7491100000e-01 -6.3715000000e-02  1.2893890000e+00  3.7295100000e-01  1.0902500000e-01  4.3802400000e-01  1.2637110000e+00  7.3435700000e-01  1.4903560000e+00 -7.1168900000e-01  1.5465000000e-02 -1.2403060000e+00 -1.2702100000e+00 -7.6122600000e-01 -1.2725010000e+00 -1.3013780000e+00  7.4341700000e-01 -1.4367360000e+00
-ENERGY -1.526617287814e+02
-FORCES -2.8365000000e-03  2.5415000000e-03 -8.1544000000e-03  5.3398000000e-03  1.0690000000e-04  9.6532000000e-03 -2.1539000000e-03 -2.0159000000e-03 -1.3284000000e-03 -5.2156000000e-03 -1.5193000000e-03 -8.7300000000e-04  2.1194000000e-03  4.5066000000e-03 -3.7480000000e-04  2.7468000000e-03 -3.6197000000e-03  1.0774000000e-03
-
-JOB 35
-COORDS -2.0321200000e-01  1.4056610000e+00 -2.1482500000e-01  2.7078700000e-01  1.4514990000e+00 -1.0451600000e+00 -9.5814100000e-01  1.9812490000e+00 -3.3734900000e-01  2.4775200000e-01 -1.4529630000e+00  3.3374700000e-01  2.5619100000e-01 -2.0868790000e+00 -3.8340700000e-01 -2.1979100000e-01 -6.9641100000e-01 -2.0180000000e-02
-ENERGY -1.526589971652e+02
-FORCES  6.9650000000e-04  5.1660000000e-03 -2.5306000000e-03 -3.7023000000e-03 -1.6484000000e-03  3.7666000000e-03  3.8550000000e-03 -3.1222000000e-03  1.3030000000e-04 -2.9127000000e-03  5.9506000000e-03 -2.4713000000e-03  7.1000000000e-06  3.4946000000e-03  1.7824000000e-03  2.0564000000e-03 -9.8407000000e-03 -6.7740000000e-04
-
-JOB 36
-COORDS -2.8386200000e-01  5.1224000000e-01  1.3087670000e+00 -5.5182200000e-01  1.1896000000e-01  2.1392850000e+00  3.0587000000e-01  1.2233880000e+00  1.5592000000e+00  2.7421400000e-01 -4.7899600000e-01 -1.4134340000e+00  4.2160900000e-01 -1.4145270000e+00 -1.5523160000e+00  4.7920000000e-03 -4.1188700000e-01 -4.9738800000e-01
-ENERGY -1.526611381425e+02
-FORCES  1.9551000000e-03  2.8858000000e-03  3.6007000000e-03  1.7410000000e-03  1.9402000000e-03 -3.6352000000e-03 -3.2682000000e-03 -3.5179000000e-03  3.6970000000e-04 -1.7136000000e-03 -1.6340000000e-04  7.6452000000e-03 -7.1400000000e-04  2.9588000000e-03  1.3646000000e-03  1.9997000000e-03 -4.1035000000e-03 -9.3451000000e-03
-
-JOB 37
-COORDS -1.2872500000e-01 -1.3908800000e+00  6.8965300000e-01  5.2047300000e-01 -7.2203100000e-01  4.7190300000e-01 -9.4855300000e-01 -1.0572220000e+00  3.2525500000e-01  7.7144000000e-02  1.2948770000e+00 -6.7232700000e-01  9.2578600000e-01  1.3151370000e+00 -1.1146250000e+00  1.5890600000e-01  1.9364580000e+00  3.3308000000e-02
-ENERGY -1.526580609181e+02
-FORCES -1.6461000000e-03  9.5822000000e-03 -6.0785000000e-03  2.1904000000e-03 -4.5876000000e-03  3.0800000000e-03  7.3090000000e-04 -3.7126000000e-03  2.7167000000e-03  2.3356000000e-03  4.2543000000e-03 -2.9490000000e-04 -3.7114000000e-03 -1.4028000000e-03  3.6887000000e-03  1.0060000000e-04 -4.1335000000e-03 -3.1121000000e-03
-
-JOB 38
-COORDS -6.6371900000e-01  6.0519600000e-01 -1.1506440000e+00 -1.6140070000e+00  4.9068000000e-01 -1.1421970000e+00 -5.3659800000e-01  1.5496560000e+00 -1.2404610000e+00  7.3207300000e-01 -6.0990700000e-01  1.2027600000e+00  7.5635900000e-01 -1.5667950000e+00  1.1999670000e+00  2.9898000000e-01 -3.7843500000e-01  3.8112600000e-01
-ENERGY -1.526617272662e+02
-FORCES -3.2181000000e-03  5.0851000000e-03 -4.5960000000e-04  4.6260000000e-03  6.0300000000e-04 -4.4100000000e-05 -1.6758000000e-03 -4.4109000000e-03 -1.3850000000e-04 -3.3137000000e-03  6.4710000000e-04 -7.3857000000e-03 -8.1620000000e-04  3.1570000000e-03 -5.1260000000e-04  4.3977000000e-03 -5.0813000000e-03  8.5405000000e-03
-
-JOB 39
-COORDS  4.5968300000e-01  1.2676500000e+00 -7.7132700000e-01  5.1535700000e-01  3.7676700000e-01 -4.2569800000e-01  3.1070900000e-01  1.8152450000e+00 -4.9800000000e-04 -4.0235000000e-01 -1.2350910000e+00  6.7158400000e-01 -3.9125100000e-01 -1.7917060000e+00  1.4502300000e+00 -1.3080000000e+00 -9.3223100000e-01  6.0597300000e-01
-ENERGY -1.526604015496e+02
-FORCES  5.9200000000e-05 -5.3510000000e-03  6.7184000000e-03  3.6690000000e-04  7.0492000000e-03 -4.6925000000e-03 -1.9030000000e-04 -1.1220000000e-03 -2.7780000000e-03 -3.7901000000e-03 -1.9611000000e-03  2.7657000000e-03 -1.2596000000e-03  2.7445000000e-03 -3.2557000000e-03  4.8139000000e-03 -1.3596000000e-03  1.2421000000e-03
-
-JOB 40
-COORDS  5.0373800000e-01 -9.5532500000e-01 -9.6548300000e-01  5.2485000000e-02 -1.0584180000e+00 -1.8033220000e+00  1.1990700000e+00 -1.6128730000e+00 -9.8489800000e-01 -5.0760000000e-01  1.0688440000e+00  1.0071080000e+00 -9.1951300000e-01  5.8837600000e-01  1.7252380000e+00 -2.4902300000e-01  3.9137700000e-01  3.8228200000e-01
-ENERGY -1.526614549803e+02
-FORCES  2.2922000000e-03 -2.7767000000e-03 -2.9835000000e-03  2.5056000000e-03 -1.6120000000e-04  3.9509000000e-03 -3.6059000000e-03  2.2397000000e-03 -1.2589000000e-03  1.9679000000e-03 -7.4030000000e-03 -3.1700000000e-03  1.3668000000e-03  1.3564000000e-03 -2.2172000000e-03 -4.5267000000e-03  6.7449000000e-03  5.6787000000e-03
-
-JOB 41
-COORDS  6.8209000000e-02 -3.2553000000e-02 -1.5514050000e+00  9.4859600000e-01  1.9543800000e-01 -1.8500200000e+00  1.0761400000e-01  5.5092000000e-02 -5.9904100000e-01 -1.3687200000e-01  4.0595000000e-02  1.4474500000e+00  6.7817000000e-01  2.0690300000e-01  1.9210320000e+00 -6.4630300000e-01 -5.1742900000e-01  2.0350900000e+00
-ENERGY -1.526607207976e+02
-FORCES  1.3893000000e-03  8.6060000000e-04  7.6130000000e-03 -2.5685000000e-03 -6.6820000000e-04  1.8312000000e-03  2.4646000000e-03  5.4390000000e-04 -1.0131700000e-02 -8.4400000000e-04 -2.7509000000e-03  4.7677000000e-03 -3.6276000000e-03 -1.0590000000e-03 -2.8212000000e-03  3.1862000000e-03  3.0735000000e-03 -1.2589000000e-03
-
-JOB 42
-COORDS  3.2318500000e-01 -1.0050950000e+00 -1.2044710000e+00  3.4681800000e-01 -2.5729000000e-01 -6.0742700000e-01 -4.4408000000e-01 -1.5072430000e+00 -9.2991000000e-01 -2.7276800000e-01  9.3363200000e-01  1.1248670000e+00 -1.0774800000e-01  1.1243760000e+00  2.0482400000e+00 -5.5045100000e-01  1.7707040000e+00  7.5279800000e-01
-ENERGY -1.526603313660e+02
-FORCES -3.4935000000e-03  2.8472000000e-03  7.8764000000e-03  1.0903000000e-03 -3.0336000000e-03 -7.6997000000e-03  2.3555000000e-03  6.3930000000e-04 -1.9772000000e-03 -1.6840000000e-04  3.8188000000e-03  4.4819000000e-03 -1.6477000000e-03  1.7530000000e-04 -4.0913000000e-03  1.8637000000e-03 -4.4470000000e-03  1.4099000000e-03
-
-JOB 43
-COORDS  5.5286000000e-02 -2.1110100000e-01  1.6026900000e+00  5.7111100000e-01  3.7725400000e-01  1.0513330000e+00 -4.1857600000e-01 -7.6634300000e-01  9.8350200000e-01 -3.6044000000e-02  1.8927300000e-01 -1.5892660000e+00  3.1300200000e-01  9.4116000000e-01 -1.1106590000e+00 -7.5157700000e-01 -1.3296300000e-01 -1.0411710000e+00
-ENERGY -1.526507962286e+02
-FORCES  2.4926000000e-03 -1.8339000000e-03 -5.9087000000e-03 -3.3623000000e-03  1.9210000000e-04  1.0074000000e-03 -7.1350000000e-04  3.8938000000e-03  7.5210000000e-04 -2.7517000000e-03  3.2848000000e-03  3.4360000000e-03 -1.7790000000e-04 -4.6574000000e-03  3.3210000000e-04  4.5127000000e-03 -8.7950000000e-04  3.8110000000e-04
-
-JOB 44
-COORDS -8.8332900000e-01  1.2920190000e+00 -3.5351400000e-01 -1.5947220000e+00  1.0888330000e+00  2.5383000000e-01 -1.5586500000e-01  7.4145600000e-01 -6.3841000000e-02  8.4956700000e-01 -1.2253110000e+00  3.5427800000e-01  6.3084600000e-01 -2.0284590000e+00 -1.1831700000e-01  1.6367190000e+00 -8.9766100000e-01 -8.0772000000e-02
-ENERGY -1.526593094073e+02
-FORCES  1.5012000000e-03 -7.3669000000e-03  5.1558000000e-03  1.5286000000e-03  1.3665000000e-03 -2.3869000000e-03 -1.4645000000e-03  7.6554000000e-03 -2.9677000000e-03  1.9247000000e-03 -5.1373000000e-03 -4.2190000000e-03  1.8554000000e-03  3.2558000000e-03  2.5015000000e-03 -5.3453000000e-03  2.2660000000e-04  1.9162000000e-03
-
-JOB 45
-COORDS -1.1499090000e+00  2.1728000000e-02  1.1291890000e+00 -4.2015600000e-01  5.7146500000e-01  8.4373800000e-01 -1.7596030000e+00  3.0073000000e-02  3.9133000000e-01  1.1489170000e+00  1.1368000000e-02 -1.0797110000e+00  5.0034600000e-01 -6.2443900000e-01 -1.3819310000e+00  1.7097770000e+00 -4.8340700000e-01 -4.8233000000e-01
-ENERGY -1.526577921333e+02
-FORCES  2.4784000000e-03  4.0278000000e-03 -6.1319000000e-03 -4.2841000000e-03 -2.4532000000e-03  4.4153000000e-03  2.0420000000e-03 -1.2392000000e-03  2.4604000000e-03  1.1910000000e-04 -7.1352000000e-03  7.9750000000e-04  2.1192000000e-03  3.6912000000e-03  8.4940000000e-04 -2.4746000000e-03  3.1086000000e-03 -2.3906000000e-03
-
-JOB 46
-COORDS -6.9620600000e-01 -1.3682590000e+00 -1.0703000000e-01 -1.5900030000e+00 -1.2768650000e+00 -4.3718900000e-01 -6.1906500000e-01 -2.2940420000e+00  1.2363800000e-01  7.4142000000e-01  1.4696630000e+00  7.9318000000e-02  1.1399390000e+00  1.2820580000e+00  9.2915300000e-01  2.9112700000e-01  6.5923200000e-01 -1.5873500000e-01
-ENERGY -1.526602544043e+02
-FORCES -3.0160000000e-03 -5.2270000000e-03  5.1000000000e-06  4.4298000000e-03 -4.3530000000e-04  1.4866000000e-03 -1.4660000000e-03  3.7555000000e-03 -1.0415000000e-03 -1.4003000000e-03 -7.7214000000e-03  2.5117000000e-03 -6.6510000000e-04  1.4537000000e-03 -2.5191000000e-03  2.1176000000e-03  8.1746000000e-03 -4.4270000000e-04
-
-JOB 47
-COORDS -9.4991500000e-01 -9.6495200000e-01  9.6144200000e-01 -1.3915770000e+00 -2.1373500000e-01  1.3574730000e+00 -1.0219870000e+00 -8.1608500000e-01  1.8640000000e-02  9.5318600000e-01  8.8677900000e-01 -9.8210700000e-01  1.3510290000e+00  1.7563610000e+00 -1.0243050000e+00  9.6737700000e-01  6.6125500000e-01 -5.1962000000e-02
-ENERGY -1.526584037305e+02
-FORCES -4.5588000000e-03  2.3310000000e-03 -3.6872000000e-03  3.0249000000e-03 -2.7126000000e-03 -1.2916000000e-03  5.6160000000e-04 -1.1007000000e-03  5.9700000000e-03  3.0685000000e-03  1.9273000000e-03  3.8619000000e-03 -1.7279000000e-03 -3.5320000000e-03  8.4550000000e-04 -3.6830000000e-04  3.0868000000e-03 -5.6986000000e-03
-
-JOB 48
-COORDS  9.9799900000e-01  1.2804770000e+00 -3.4441000000e-01  6.4107500000e-01  4.1145600000e-01 -5.2781900000e-01  1.9462360000e+00  1.1701360000e+00 -4.1443800000e-01 -9.6185800000e-01 -1.2203620000e+00  3.7497600000e-01 -1.7042140000e+00 -8.3867200000e-01  8.4343300000e-01 -1.3566070000e+00 -1.6819610000e+00 -3.6484200000e-01
-ENERGY -1.526587929801e+02
-FORCES  2.9270000000e-04 -6.1090000000e-03  6.4710000000e-04  4.5869000000e-03  6.4542000000e-03 -2.8486000000e-03 -3.4675000000e-03  1.5770000000e-04  1.2580000000e-04 -6.7472000000e-03 -5.5150000000e-04  1.6820000000e-03  2.7360000000e-03 -2.7627000000e-03 -2.3933000000e-03  2.5990000000e-03  2.8113000000e-03  2.7871000000e-03
-
-JOB 49
-COORDS -4.7157600000e-01 -7.8023200000e-01  1.3914890000e+00 -1.8292900000e-01 -1.6253690000e+00  1.0470200000e+00  3.1022600000e-01 -4.0752700000e-01  1.7990530000e+00  4.1722500000e-01  7.8179000000e-01 -1.4606090000e+00  2.9651000000e-01  3.0523700000e-01 -6.3929400000e-01  4.2061000000e-01  1.7041230000e+00 -1.2046370000e+00
-ENERGY -1.526578412756e+02
-FORCES  2.3835000000e-03 -4.9444000000e-03  4.4595000000e-03 -8.3360000000e-04  5.3910000000e-03  7.8720000000e-04 -3.6811000000e-03 -7.3590000000e-04 -4.2593000000e-03 -3.1909000000e-03  9.7670000000e-04  6.0553000000e-03  4.7604000000e-03  2.6145000000e-03 -6.1559000000e-03  5.6170000000e-04 -3.3019000000e-03 -8.8680000000e-04
-
-JOB 50
-COORDS  5.0712000000e-01 -1.0047500000e+00 -1.2212620000e+00  1.2844270000e+00 -4.5899100000e-01 -1.1022110000e+00  7.7937300000e-01 -1.8761690000e+00 -9.3361900000e-01 -5.3342000000e-01  9.8919300000e-01  1.2424800000e+00 -8.1333500000e-01  1.9045490000e+00  1.2408000000e+00 -8.9656400000e-01  6.2570400000e-01  4.3487000000e-01
-ENERGY -1.526582322416e+02
-FORCES  5.7739000000e-03 -2.0260000000e-03  2.3806000000e-03 -3.4188000000e-03 -2.5413000000e-03 -1.5687000000e-03 -8.9490000000e-04  3.4845000000e-03 -1.6300000000e-03 -3.0200000000e-03  2.5190000000e-04 -4.2233000000e-03  1.4172000000e-03 -3.5767000000e-03 -4.2940000000e-04  1.4270000000e-04  4.4075000000e-03  5.4708000000e-03
-
-JOB 51
-COORDS -3.6225200000e-01  5.8081300000e-01  1.4775280000e+00 -3.3914100000e-01  1.1349910000e+00  2.2576460000e+00 -1.9773300000e-01 -3.0305600000e-01  1.8060720000e+00  3.4458300000e-01 -6.1679000000e-01 -1.5873920000e+00 -1.3403700000e-01  2.1151900000e-01 -1.6199370000e+00  9.3263900000e-01 -5.2487100000e-01 -8.3774400000e-01
-ENERGY -1.526570938593e+02
-FORCES -6.9960000000e-04 -1.4867000000e-03  5.8010000000e-03 -1.5200000000e-04 -2.5961000000e-03 -3.4185000000e-03  5.1330000000e-04  4.3124000000e-03 -1.6028000000e-03 -6.2770000000e-04  5.8700000000e-03  4.9492000000e-03  1.9236000000e-03 -3.4331000000e-03 -2.3386000000e-03 -9.5770000000e-04 -2.6665000000e-03 -3.3902000000e-03
-
-JOB 52
-COORDS -3.0012600000e-01  1.6611100000e+00 -4.2978200000e-01  2.1858700000e-01  2.0285430000e+00  2.8587300000e-01 -1.1991430000e+00  1.9258570000e+00 -2.3508100000e-01  3.6769900000e-01 -1.7007300000e+00  4.1537200000e-01  3.8834300000e-01 -1.8832430000e+00 -5.2404000000e-01 -5.4530000000e-01 -1.4774050000e+00  5.9645200000e-01
-ENERGY -1.526546428952e+02
-FORCES  1.4090000000e-04  2.7889000000e-03  4.2869000000e-03 -2.7374000000e-03 -6.4790000000e-04 -3.1628000000e-03  3.4795000000e-03 -2.0807000000e-03 -7.1230000000e-04 -3.8975000000e-03  2.9922000000e-03 -4.6218000000e-03  7.1000000000e-05 -8.0470000000e-04  3.8097000000e-03  2.9436000000e-03 -2.2478000000e-03  4.0020000000e-04
-
-JOB 53
-COORDS  1.1156690000e+00  1.3267440000e+00  6.6567600000e-01  6.3994100000e-01  5.0508400000e-01  5.4406000000e-01  1.1547810000e+00  1.4431670000e+00  1.6149640000e+00 -1.0891460000e+00 -1.2282760000e+00 -7.4799900000e-01 -7.4129400000e-01 -2.0796220000e+00 -1.0134020000e+00 -1.4636120000e+00 -1.3818670000e+00  1.1942100000e-01
-ENERGY -1.526562458147e+02
-FORCES -2.5308000000e-03 -3.4134000000e-03  1.4419000000e-03  3.6611000000e-03  4.6835000000e-03  3.8224000000e-03 -4.6020000000e-04 -8.0540000000e-04 -3.6506000000e-03 -2.3690000000e-03 -6.0007000000e-03  3.2600000000e-05 -1.6184000000e-03  3.9138000000e-03  1.6034000000e-03  3.3173000000e-03  1.6222000000e-03 -3.2497000000e-03
-
-JOB 54
-COORDS -9.6425600000e-01  1.0094400000e-01 -1.6063410000e+00 -4.7176500000e-01  1.3211400000e-01 -7.8615100000e-01 -1.4532910000e+00 -7.2068300000e-01 -1.5615470000e+00  9.0536300000e-01 -7.4692000000e-02  1.5480750000e+00  1.3990660000e+00 -2.1510000000e-02  2.3664030000e+00  1.5146690000e+00  2.3818400000e-01  8.7943000000e-01
-ENERGY -1.526567389574e+02
-FORCES -7.6530000000e-04 -3.6260000000e-03  5.2083000000e-03 -4.1830000000e-04  7.3490000000e-04 -5.9552000000e-03  1.6420000000e-03  3.1713000000e-03 -9.0200000000e-04  5.6740000000e-03  1.5254000000e-03  3.3102000000e-03 -1.6078000000e-03 -2.6360000000e-04 -3.5859000000e-03 -4.5246000000e-03 -1.5420000000e-03  1.9246000000e-03
-
-JOB 55
-COORDS  1.5101030000e+00 -1.1019690000e+00  4.4402000000e-02  1.5887220000e+00 -1.8410070000e+00  6.4762200000e-01  8.5083900000e-01 -5.3482900000e-01  4.4434500000e-01 -1.4845860000e+00  1.1757610000e+00 -1.3585600000e-01 -1.0265970000e+00  9.9554000000e-01  6.8511900000e-01 -1.7936990000e+00  3.1935000000e-01 -4.3122200000e-01
-ENERGY -1.526526131036e+02
-FORCES -1.4147000000e-03 -3.7440000000e-04  3.6182000000e-03 -7.7510000000e-04  3.3910000000e-03 -2.6853000000e-03  1.5361000000e-03 -2.6631000000e-03 -2.1490000000e-04 -1.1039000000e-03 -3.4528000000e-03  1.2665000000e-03  3.2900000000e-05 -8.7740000000e-04 -4.1060000000e-03  1.7247000000e-03  3.9767000000e-03  2.1215000000e-03
-
-JOB 56
-COORDS -1.8240580000e+00  1.9089000000e-02 -4.5980600000e-01 -1.9175790000e+00 -7.4437600000e-01  1.0993700000e-01 -1.2612490000e+00 -2.8145700000e-01 -1.1733530000e+00  1.7348710000e+00  4.1648000000e-02  4.6326400000e-01  2.3438680000e+00 -6.4661900000e-01  1.9560400000e-01  2.2935150000e+00  7.2743900000e-01  8.2910600000e-01
-ENERGY -1.526541779824e+02
-FORCES  4.6426000000e-03 -3.9402000000e-03  4.5450000000e-04 -7.4610000000e-04  2.5762000000e-03 -2.4569000000e-03 -3.6579000000e-03  6.4370000000e-04  1.6247000000e-03  5.0149000000e-03  1.2894000000e-03  1.1619000000e-03 -3.2306000000e-03  2.6119000000e-03  7.6200000000e-04 -2.0230000000e-03 -3.1810000000e-03 -1.5462000000e-03
-
-JOB 57
-COORDS  1.1948890000e+00  1.3714050000e+00 -4.5061200000e-01  1.4781610000e+00  6.2110700000e-01 -9.7314600000e-01  1.9485330000e+00  1.9615340000e+00 -4.4979000000e-01 -1.2270770000e+00 -1.4191720000e+00  4.4454200000e-01 -1.9376810000e+00 -8.1655400000e-01  2.2516600000e-01 -8.8323800000e-01 -1.0922720000e+00  1.2758920000e+00
-ENERGY -1.526559306518e+02
-FORCES  4.1568000000e-03 -1.3629000000e-03 -2.7798000000e-03 -3.0960000000e-04  4.0721000000e-03  2.0138000000e-03 -3.1170000000e-03 -2.4976000000e-03  1.2470000000e-04 -1.1010000000e-03  5.2867000000e-03  2.6304000000e-03  2.2040000000e-03 -3.0981000000e-03  8.8110000000e-04 -1.8332000000e-03 -2.4002000000e-03 -2.8702000000e-03
-
-JOB 58
-COORDS -1.2923320000e+00  1.4275710000e+00  9.7058000000e-02 -1.9276120000e+00  7.8945900000e-01 -2.2769500000e-01 -1.5424040000e+00  1.5720860000e+00  1.0096430000e+00  1.2936800000e+00 -1.4434520000e+00 -1.3367000000e-01  1.3085290000e+00 -5.7846800000e-01  2.7598100000e-01  2.1560260000e+00 -1.5315520000e+00 -5.3966200000e-01
-ENERGY -1.526561770036e+02
-FORCES -4.9341000000e-03 -2.2510000000e-03  1.5717000000e-03  2.2402000000e-03  3.3591000000e-03  1.6624000000e-03  1.5927000000e-03 -7.0990000000e-04 -3.6843000000e-03  2.9781000000e-03  4.3394000000e-03 -2.5980000000e-04  1.4452000000e-03 -5.0181000000e-03 -9.1020000000e-04 -3.3220000000e-03  2.8050000000e-04  1.6201000000e-03
-
-JOB 59
-COORDS  3.1381600000e-01 -1.0392140000e+00 -1.6071320000e+00 -4.4010000000e-02 -1.4000710000e+00 -2.4182880000e+00  5.2717000000e-02 -1.1838200000e-01 -1.6184060000e+00 -2.3084600000e-01  1.0372880000e+00  1.6128340000e+00 -5.4136300000e-01  1.3205760000e+00  2.4728110000e+00 -7.2398600000e-01  2.3725500000e-01  1.4311970000e+00
-ENERGY -1.526557139814e+02
-FORCES -1.4861000000e-03  2.9522000000e-03 -3.9250000000e-03  1.4016000000e-03  1.4732000000e-03  3.4180000000e-03  2.6400000000e-04 -4.9039000000e-03 -3.1570000000e-04 -2.7156000000e-03 -2.8612000000e-03  3.4129000000e-03  1.1866000000e-03 -1.2296000000e-03 -3.4549000000e-03  1.3496000000e-03  4.5693000000e-03  8.6480000000e-04
-
-JOB 60
-COORDS -4.5979200000e-01  1.2628380000e+00  1.4946730000e+00 -3.5464100000e-01  2.2103660000e+00  1.5804930000e+00 -1.8956600000e-01  1.0717610000e+00  5.9650900000e-01  4.1822300000e-01 -1.2691540000e+00 -1.3959080000e+00  1.9347800000e-01 -1.0170630000e+00 -2.2915480000e+00  9.8557100000e-01 -2.0334490000e+00 -1.4969140000e+00
-ENERGY -1.526559911554e+02
-FORCES  1.8981000000e-03  1.5871000000e-03 -4.0554000000e-03 -4.2870000000e-04 -3.6497000000e-03 -4.0810000000e-04 -1.7549000000e-03  3.3109000000e-03  4.7058000000e-03  1.6896000000e-03 -3.9273000000e-03 -4.0851000000e-03  1.0452000000e-03 -5.1400000000e-04  4.0032000000e-03 -2.4492000000e-03  3.1929000000e-03 -1.6040000000e-04
-
-JOB 61
-COORDS -1.5713600000e-01  2.8693800000e-01  2.0460530000e+00  2.3247800000e-01  9.0262600000e-01  1.4252780000e+00 -9.4527000000e-02  7.2828300000e-01  2.8931220000e+00  1.5323900000e-01 -4.0778200000e-01 -2.0870670000e+00  6.5343900000e-01  3.7404000000e-01 -1.8530050000e+00 -7.5239300000e-01 -1.8745200000e-01 -1.8690810000e+00
-ENERGY -1.526533656876e+02
-FORCES  2.3191000000e-03  3.9457000000e-03  1.4915000000e-03 -1.9848000000e-03 -2.1008000000e-03  1.9362000000e-03 -2.7960000000e-04 -1.8756000000e-03 -3.6597000000e-03 -2.1195000000e-03  3.2806000000e-03  1.9463000000e-03 -2.0064000000e-03 -2.8421000000e-03 -3.6250000000e-04  4.0712000000e-03 -4.0790000000e-04 -1.3517000000e-03
-
-JOB 62
-COORDS -2.0897090000e+00  2.2839000000e-02 -2.9082900000e-01 -2.7197350000e+00 -2.8165300000e-01  3.6230400000e-01 -1.3887100000e+00 -6.2862200000e-01 -2.7005600000e-01  2.0258850000e+00  9.1980000000e-03  2.6563500000e-01  2.6504300000e+00 -4.0894100000e-01 -3.2710000000e-01  2.4952040000e+00  7.6794500000e-01  6.1244200000e-01
-ENERGY -1.526552898487e+02
-FORCES  1.7930000000e-03 -3.7148000000e-03  3.0292000000e-03  2.2827000000e-03  1.2446000000e-03 -2.5705000000e-03 -4.6082000000e-03  1.8642000000e-03 -6.4910000000e-04  4.7720000000e-03  2.5065000000e-03 -8.8740000000e-04 -2.7834000000e-03  1.5025000000e-03  2.4659000000e-03 -1.4561000000e-03 -3.4030000000e-03 -1.3881000000e-03
-
-JOB 63
-COORDS  6.9675600000e-01 -1.9872100000e+00 -5.0646600000e-01 -1.4125000000e-02 -2.4352210000e+00 -9.6490400000e-01  5.4013500000e-01 -1.0573890000e+00 -6.7118600000e-01 -7.0643900000e-01  1.9323030000e+00  5.3303700000e-01  1.4615500000e-01  1.6750530000e+00  1.8212800000e-01 -5.2257100000e-01  2.7039920000e+00  1.0686870000e+00
-ENERGY -1.526538252451e+02
-FORCES -4.7299000000e-03  1.7106000000e-03 -2.3183000000e-03  3.2424000000e-03  1.5494000000e-03  1.7187000000e-03  1.9027000000e-03 -2.8616000000e-03  6.1050000000e-04  4.3126000000e-03  3.1118000000e-03  1.9049000000e-03 -3.8559000000e-03 -3.7660000000e-04  4.6270000000e-04 -8.7190000000e-04 -3.1336000000e-03 -2.3785000000e-03
-
-JOB 64
-COORDS  1.3702700000e-01 -1.6276020000e+00  1.6090410000e+00  1.0748000000e-02 -2.2494060000e+00  8.9235000000e-01 -4.8666000000e-01 -9.2412900000e-01  1.4291200000e+00 -1.1700600000e-01  1.6577110000e+00 -1.4993300000e+00  7.7970400000e-01  1.5798980000e+00 -1.8250400000e+00 -6.4799600000e-01  1.1904870000e+00 -2.1442980000e+00
-ENERGY -1.526548839378e+02
-FORCES -3.1030000000e-03  1.2988000000e-03 -3.8468000000e-03  5.8050000000e-04  2.2077000000e-03  2.7654000000e-03  2.2367000000e-03 -3.8487000000e-03  1.2906000000e-03  2.2043000000e-03 -1.4658000000e-03 -4.4013000000e-03 -3.9817000000e-03  2.9630000000e-04  1.1107000000e-03  2.0632000000e-03  1.5118000000e-03  3.0813000000e-03
-
-JOB 65
-COORDS  2.5591000000e-02  1.7147500000e+00  1.4599750000e+00  4.3232600000e-01  2.3955520000e+00  1.9959860000e+00  3.6988000000e-01  1.8648310000e+00  5.7953600000e-01 -5.9399000000e-02 -1.7048700000e+00 -1.4737140000e+00 -8.5994900000e-01 -2.0148670000e+00 -1.0503320000e+00  5.8266300000e-01 -2.3950880000e+00 -1.3076200000e+00
-ENERGY -1.526549340554e+02
-FORCES  3.1149000000e-03  3.0110000000e-03 -2.1236000000e-03 -1.6010000000e-03 -2.7808000000e-03 -2.0887000000e-03 -1.3488000000e-03  2.2750000000e-04  4.2124000000e-03 -9.1320000000e-04 -4.1382000000e-03  3.0789000000e-03  3.2702000000e-03  9.3570000000e-04 -2.1874000000e-03 -2.5221000000e-03  2.7448000000e-03 -8.9170000000e-04
-
-JOB 66
-COORDS  1.4699190000e+00  9.3331200000e-01 -1.4585380000e+00  7.5807400000e-01  4.4853000000e-01 -1.8762640000e+00  2.2660850000e+00  5.8035800000e-01 -1.8557470000e+00 -1.4165410000e+00 -9.3670600000e-01  1.5103910000e+00 -2.2345660000e+00 -9.5302600000e-01  2.0071820000e+00 -1.5283310000e+00 -2.1854800000e-01  8.8750800000e-01
-ENERGY -1.526541477056e+02
-FORCES  1.0946000000e-03 -3.9884000000e-03 -3.1789000000e-03  2.3315000000e-03  2.4075000000e-03  1.9416000000e-03 -3.2580000000e-03  1.6406000000e-03  1.3793000000e-03 -3.3485000000e-03  3.4696000000e-03 -1.4730000000e-04  3.3372000000e-03 -1.1600000000e-05 -2.0550000000e-03 -1.5680000000e-04 -3.5176000000e-03  2.0603000000e-03
-
-JOB 67
-COORDS -5.9640100000e-01 -2.2584740000e+00 -4.9129000000e-02 -4.1416500000e-01 -1.4445120000e+00  4.2043400000e-01  2.0614300000e-01 -2.4377480000e+00 -5.3904300000e-01  5.5950800000e-01  2.2675070000e+00  7.2084000000e-02  4.2692900000e-01  1.3865950000e+00  4.2229500000e-01  2.6901000000e-01  2.2101260000e+00 -8.3816300000e-01
-ENERGY -1.526528106502e+02
-FORCES  4.0817000000e-03  1.4201000000e-03  2.0520000000e-04 -4.8290000000e-04 -2.1286000000e-03 -2.4351000000e-03 -3.5966000000e-03  1.2074000000e-03  2.1015000000e-03 -2.0491000000e-03 -3.0422000000e-03 -2.6081000000e-03  5.6580000000e-04  2.4871000000e-03 -1.3391000000e-03  1.4811000000e-03  5.6200000000e-05  4.0756000000e-03
-
-JOB 68
-COORDS -4.2499800000e-01  1.9683490000e+00 -1.0841210000e+00 -1.3821900000e+00  1.9646550000e+00 -1.0829830000e+00 -1.8796400000e-01  2.8355340000e+00 -7.5543100000e-01  4.1745300000e-01 -1.9920660000e+00  1.1194490000e+00  9.7037200000e-01 -2.7733060000e+00  1.1327370000e+00  5.6777600000e-01 -1.6063150000e+00  2.5641300000e-01
-ENERGY -1.526552313752e+02
-FORCES -3.1286000000e-03  3.9177000000e-03  1.8079000000e-03  3.9968000000e-03  4.8800000000e-05 -2.4350000000e-04 -1.0313000000e-03 -3.4290000000e-03 -1.5599000000e-03  2.8684000000e-03 -7.9990000000e-04 -3.8475000000e-03 -2.1927000000e-03  3.0627000000e-03  2.2000000000e-06 -5.1260000000e-04 -2.8003000000e-03  3.8408000000e-03
-
-JOB 69
-COORDS -6.5970400000e-01  1.6535950000e+00 -1.6116770000e+00 -1.1749500000e-01  2.0172300000e+00 -2.3116850000e+00 -8.3421400000e-01  2.3958930000e+00 -1.0330830000e+00  5.9362400000e-01 -1.7066550000e+00  1.6774560000e+00  5.7450700000e-01 -1.2448610000e+00  8.3923600000e-01  1.3189640000e+00 -2.3256390000e+00  1.5939540000e+00
-ENERGY -1.526552990007e+02
-FORCES  9.0390000000e-04  5.1668000000e-03 -7.3360000000e-04 -2.1113000000e-03 -1.6367000000e-03  2.9819000000e-03  9.1340000000e-04 -3.1273000000e-03 -2.5359000000e-03  2.3950000000e-03 -3.1900000000e-04 -4.2904000000e-03  6.8500000000e-04 -2.5122000000e-03  4.1752000000e-03 -2.7859000000e-03  2.4285000000e-03  4.0270000000e-04
-
-JOB 70
-COORDS  3.2222000000e-02 -2.3988550000e+00  6.8452200000e-01 -8.3748400000e-01 -2.7766930000e+00  5.5381900000e-01  1.3436000000e-02 -1.5776450000e+00  1.9310200000e-01  2.1370000000e-03  2.4376690000e+00 -6.5236200000e-01 -5.2846800000e-01  1.6904260000e+00 -3.7610700000e-01  8.4441100000e-01  2.0557410000e+00 -8.9921600000e-01
-ENERGY -1.526530031920e+02
-FORCES -3.7707000000e-03  1.0389000000e-03 -2.4342000000e-03  3.7352000000e-03  1.8266000000e-03  5.2240000000e-04  5.6000000000e-05 -2.5026000000e-03  1.9630000000e-03  1.5160000000e-03 -3.8221000000e-03  3.0510000000e-04  2.3877000000e-03  2.2816000000e-03 -1.4054000000e-03 -3.9242000000e-03  1.1775000000e-03  1.0491000000e-03
-
-JOB 71
-COORDS -1.0104320000e+00  2.2791810000e+00  2.7077000000e-01 -1.0789160000e+00  2.1194230000e+00  1.2120560000e+00 -1.1163890000e+00  1.4152930000e+00 -1.2760500000e-01  1.0435010000e+00 -2.1805960000e+00 -2.5300100000e-01  7.7170000000e-01 -3.0969110000e+00 -2.0082000000e-01  9.1973500000e-01 -1.9455580000e+00 -1.1726050000e+00
-ENERGY -1.526547018283e+02
-FORCES -1.4600000000e-04 -4.7015000000e-03  2.6138000000e-03 -4.9700000000e-05  1.0151000000e-03 -3.7353000000e-03 -9.6000000000e-06  3.8657000000e-03  1.0184000000e-03 -7.8310000000e-04 -3.3689000000e-03 -3.7285000000e-03  1.0032000000e-03  3.9230000000e-03 -2.0060000000e-04 -1.4700000000e-05 -7.3350000000e-04  4.0323000000e-03
-
-JOB 72
-COORDS -8.6976900000e-01 -2.2017930000e+00  7.8789200000e-01 -1.5920930000e+00 -2.5888070000e+00  2.9322000000e-01 -3.9061400000e-01 -1.6798740000e+00  1.4427500000e-01  9.2398800000e-01  2.1375450000e+00 -7.2178300000e-01  1.5869000000e-01  2.2790330000e+00 -1.2790370000e+00  1.0026090000e+00  2.9443130000e+00 -2.1268900000e-01
-ENERGY -1.526547390312e+02
-FORCES -3.5470000000e-04  9.5990000000e-04 -4.5868000000e-03  2.7799000000e-03  1.6140000000e-03  1.9606000000e-03 -2.6162000000e-03 -2.8780000000e-03  2.4952000000e-03 -2.5529000000e-03  4.5590000000e-03  2.3960000000e-04  3.0852000000e-03 -1.0457000000e-03  2.2259000000e-03 -3.4120000000e-04 -3.2091000000e-03 -2.3344000000e-03
-
-JOB 73
-COORDS -9.4875800000e-01  1.9031840000e+00 -1.1969510000e+00 -1.3320790000e+00  2.3991710000e+00 -1.9203420000e+00 -2.4640800000e-01  2.4637370000e+00 -8.6723000000e-01  9.5088700000e-01 -1.9112930000e+00  1.1705600000e+00  1.4983980000e+00 -2.3544010000e+00  1.8187260000e+00  7.3027000000e-02 -2.2637530000e+00  1.3167330000e+00
-ENERGY -1.526538607419e+02
-FORCES  1.9368000000e-03  4.0136000000e-03 -1.4125000000e-03  1.4513000000e-03 -2.0593000000e-03  2.9468000000e-03 -3.1609000000e-03 -1.8465000000e-03 -1.5042000000e-03 -1.9503000000e-03 -3.0705000000e-03  2.9203000000e-03 -2.1156000000e-03  1.9031000000e-03 -2.6567000000e-03  3.8387000000e-03  1.0595000000e-03 -2.9370000000e-04
-
-JOB 74
-COORDS  3.4622400000e-01 -6.9980600000e-01 -2.4845620000e+00  1.1013130000e+00 -7.7140200000e-01 -3.0684680000e+00 -2.9594500000e-01 -1.3102860000e+00 -2.8467290000e+00 -3.9822000000e-01  7.3271100000e-01  2.5991560000e+00 -5.2359000000e-01  3.8175700000e-01  1.7174840000e+00  4.3710200000e-01  1.1980910000e+00  2.5556760000e+00
-ENERGY -1.526552202766e+02
-FORCES  5.1680000000e-04 -2.8990000000e-03 -4.3501000000e-03 -3.1165000000e-03  2.8100000000e-04  2.4095000000e-03  2.6738000000e-03  2.5335000000e-03  1.5736000000e-03  2.9783000000e-03  3.6040000000e-04 -4.3995000000e-03  2.0850000000e-04  1.4551000000e-03  4.2517000000e-03 -3.2609000000e-03 -1.7311000000e-03  5.1480000000e-04
-
-JOB 75
-COORDS -1.3260800000e-01 -1.2693480000e+00 -2.3896160000e+00 -3.7063900000e-01 -2.1282140000e+00 -2.7387900000e+00  5.2357800000e-01 -1.4566400000e+00 -1.7183690000e+00  8.9243000000e-02  1.3211760000e+00  2.4252110000e+00  8.4909600000e-01  1.8642230000e+00  2.2155540000e+00 -2.7523000000e-01  1.0794300000e+00  1.5737710000e+00
-ENERGY -1.526545898323e+02
-FORCES  1.6604000000e-03 -4.7972000000e-03  8.6000000000e-04  1.0475000000e-03  3.5577000000e-03  1.4352000000e-03 -2.8327000000e-03  1.2472000000e-03 -2.5270000000e-03  1.2086000000e-03  1.6142000000e-03 -4.4450000000e-03 -2.9583000000e-03 -2.3719000000e-03  8.9910000000e-04  1.8744000000e-03  7.4990000000e-04  3.7777000000e-03
-
-JOB 76
-COORDS -1.2667000000e-02 -2.0448920000e+00 -1.9279730000e+00 -8.8867600000e-01 -2.3142020000e+00 -1.6517240000e+00  5.5243300000e-01 -2.7770470000e+00 -1.6813080000e+00  4.0090000000e-02  2.1125370000e+00  1.9624730000e+00 -1.1412700000e-01  1.2936670000e+00  1.4914100000e+00  3.5403000000e-02  2.7855110000e+00  1.2818000000e+00
-ENERGY -1.526547570660e+02
-FORCES -1.1490000000e-03 -4.6490000000e-03  1.6364000000e-03  3.6570000000e-03  1.4110000000e-03 -9.0630000000e-04 -2.4105000000e-03  3.1096000000e-03 -9.3470000000e-04 -4.2160000000e-04 -7.1500000000e-04 -5.0879000000e-03  3.8490000000e-04  3.3824000000e-03  2.3792000000e-03 -6.0800000000e-05 -2.5389000000e-03  2.9132000000e-03
-
-JOB 77
-COORDS -2.5914300000e-01  3.0034410000e+00 -1.1157700000e-01 -2.3354000000e-02  3.9281940000e+00 -1.8551500000e-01 -1.1697230000e+00  2.9638280000e+00 -4.0399200000e-01  2.7486000000e-01 -3.1080970000e+00  1.7168500000e-01 -1.4102300000e-01 -2.2490250000e+00  9.9099000000e-02  1.0249350000e+00 -3.0624770000e+00 -4.2122100000e-01
-ENERGY -1.526545550395e+02
-FORCES -2.7056000000e-03  4.0227000000e-03 -1.3334000000e-03 -1.0134000000e-03 -3.8001000000e-03  2.4770000000e-04  3.7815000000e-03 -8.1700000000e-05  1.1407000000e-03  1.5449000000e-03  4.0911000000e-03 -2.5537000000e-03  1.4308000000e-03 -3.8231000000e-03  1.8490000000e-04 -3.0383000000e-03 -4.0900000000e-04  2.3137000000e-03
-
-JOB 78
-COORDS  9.8337800000e-01  2.4045220000e+00 -1.6787630000e+00  1.5522420000e+00  2.1028430000e+00 -2.3870110000e+00  2.2731300000e-01  2.7865910000e+00 -2.1244330000e+00 -9.0948800000e-01 -2.4439600000e+00  1.7479560000e+00 -1.0777780000e+00 -1.5290280000e+00  1.5225440000e+00 -1.7678450000e+00 -2.7942120000e+00  1.9862380000e+00
-ENERGY -1.526543202234e+02
-FORCES -4.5000000000e-04  3.4260000000e-04 -4.8622000000e-03 -2.4086000000e-03  1.3254000000e-03  2.8696000000e-03  2.9696000000e-03 -1.6322000000e-03  1.9356000000e-03 -3.9491000000e-03  2.6065000000e-03  2.4000000000e-06  3.9640000000e-04 -4.0103000000e-03  1.0413000000e-03  3.4417000000e-03  1.3680000000e-03 -9.8680000000e-04
-
-JOB 79
-COORDS -3.6242100000e-01 -2.3811420000e+00  2.1158870000e+00 -9.2815900000e-01 -2.7172590000e+00  2.8110120000e+00  3.5991600000e-01 -1.9564970000e+00  2.5786370000e+00  3.9010500000e-01  2.3262110000e+00 -2.2075260000e+00  5.0253500000e-01  3.2649630000e+00 -2.3569830000e+00 -3.6685800000e-01  2.2649290000e+00 -1.6248740000e+00
-ENERGY -1.526540551187e+02
-FORCES  8.6500000000e-04  2.2740000000e-04  4.6468000000e-03  2.2589000000e-03  1.4364000000e-03 -2.8521000000e-03 -3.0815000000e-03 -1.6988000000e-03 -1.7963000000e-03 -2.7822000000e-03  3.2984000000e-03  1.8016000000e-03 -4.0990000000e-04 -3.7980000000e-03  6.2600000000e-04  3.1498000000e-03  5.3470000000e-04 -2.4260000000e-03
-
-JOB 80
-COORDS -1.4695450000e+00  2.8475080000e+00 -9.8873200000e-01 -2.3500240000e+00  2.5675620000e+00 -7.3849200000e-01 -1.4440150000e+00  2.7380760000e+00 -1.9393130000e+00  1.4715940000e+00 -2.7994020000e+00  9.8900100000e-01  1.9015550000e+00 -2.3671190000e+00  1.7269020000e+00  1.8054940000e+00 -3.6962630000e+00  1.0085410000e+00
-ENERGY -1.526540566019e+02
-FORCES -3.3706000000e-03 -1.9911000000e-03 -2.8497000000e-03  3.4965000000e-03  1.3219000000e-03 -1.0107000000e-03 -1.6340000000e-04  6.3200000000e-04  3.8163000000e-03  3.1662000000e-03 -1.6413000000e-03  3.1318000000e-03 -1.7292000000e-03 -1.9424000000e-03 -2.9677000000e-03 -1.3996000000e-03  3.6209000000e-03 -1.2000000000e-04
-
-JOB 81
-COORDS -1.5956000000e-02  3.0251510000e+00  2.0216890000e+00  1.1869500000e-01  2.7722570000e+00  2.9350050000e+00  5.8740800000e-01  2.4701700000e+00  1.5275440000e+00 -1.2597000000e-02 -2.9467710000e+00 -2.1017580000e+00 -6.3665200000e-01 -2.7570990000e+00 -1.4011790000e+00  4.2508100000e-01 -3.7508000000e+00 -1.8221010000e+00
-ENERGY -1.526541030472e+02
-FORCES  3.1265000000e-03 -3.1616000000e-03  1.5961000000e-03 -5.9780000000e-04  9.6250000000e-04 -3.7203000000e-03 -2.5426000000e-03  2.2092000000e-03  2.1504000000e-03 -9.4980000000e-04 -2.6180000000e-03  3.8433000000e-03  2.7029000000e-03 -7.4030000000e-04 -2.7852000000e-03 -1.7392000000e-03  3.3481000000e-03 -1.0842000000e-03
-
-JOB 82
-COORDS -7.1792000000e-02 -3.4958980000e+00 -1.4796860000e+00  1.3756400000e-01 -2.6791980000e+00 -1.0264720000e+00 -9.3600000000e-04 -3.2794120000e+00 -2.4093870000e+00  7.4421000000e-02  3.4329700000e+00  1.5675670000e+00 -7.4496900000e-01  3.1776710000e+00  1.1437110000e+00  5.9054100000e-01  3.8356710000e+00  8.6922400000e-01
-ENERGY -1.526540047472e+02
-FORCES  1.2496000000e-03  4.1338000000e-03 -1.8359000000e-03 -9.4400000000e-04 -3.2938000000e-03 -1.9778000000e-03 -3.2860000000e-04 -8.2620000000e-04  3.7866000000e-03 -1.3227000000e-03  8.7350000000e-04 -4.4218000000e-03  3.4525000000e-03  9.0170000000e-04  1.6462000000e-03 -2.1068000000e-03 -1.7890000000e-03  2.8026000000e-03
-
-JOB 83
-COORDS  9.4515900000e-01 -3.8056580000e+00 -5.3248400000e-01  6.4859400000e-01 -4.6552370000e+00 -2.0614600000e-01  1.8976300000e-01 -3.2285470000e+00 -4.2044800000e-01 -8.3890400000e-01  3.8481820000e+00  5.4376100000e-01 -1.6682480000e+00  4.2455590000e+00  2.7822000000e-01 -8.5596800000e-01  2.9740720000e+00  1.5405200000e-01
-ENERGY -1.526539236181e+02
-FORCES -4.2131000000e-03 -1.2359000000e-03  1.8706000000e-03  1.1848000000e-03  3.5015000000e-03 -1.3612000000e-03  3.0376000000e-03 -2.2253000000e-03 -5.1850000000e-04 -3.3491000000e-03 -1.8606000000e-03 -2.7365000000e-03  3.3691000000e-03 -1.6693000000e-03  1.1064000000e-03 -2.9300000000e-05  3.4897000000e-03  1.6391000000e-03
-
-JOB 84
-COORDS  3.9080000000e-03 -3.9327380000e+00 -1.7962560000e+00  3.8253600000e-01 -3.1097310000e+00 -1.4871730000e+00  2.1198000000e-01 -3.9568120000e+00 -2.7302570000e+00 -3.9646000000e-02  3.8329430000e+00  1.8813050000e+00 -4.0657200000e-01  4.7157180000e+00  1.9293240000e+00  3.3021000000e-01  3.7743730000e+00  1.0003920000e+00
-ENERGY -1.526540064345e+02
-FORCES  2.3782000000e-03  3.2611000000e-03 -2.4418000000e-03 -1.5212000000e-03 -3.3562000000e-03 -1.3610000000e-03 -8.4870000000e-04  1.1510000000e-04  3.7904000000e-03 -5.2000000000e-05  3.4507000000e-03 -3.3153000000e-03  1.5226000000e-03 -3.6166000000e-03 -2.2320000000e-04 -1.4788000000e-03  1.4590000000e-04  3.5508000000e-03
-
-JOB 85
-COORDS -2.9735500000e-01  1.0724030000e+00  4.3898100000e+00 -1.1014940000e+00  1.1249140000e+00  3.8732480000e+00  1.6820400000e-01  3.1603800000e-01  4.0328810000e+00  3.0375100000e-01 -9.7214700000e-01 -4.3259920000e+00  1.1466380000e+00 -1.3670310000e+00 -4.5492400000e+00 -3.2261400000e-01 -1.6934610000e+00 -4.3860310000e+00
-ENERGY -1.526541424049e+02
-FORCES -1.3572000000e-03 -2.8014000000e-03 -3.7005000000e-03  3.2426000000e-03 -2.4600000000e-04  2.1854000000e-03 -1.8933000000e-03  3.0308000000e-03  1.5314000000e-03  9.2310000000e-04 -4.5253000000e-03 -1.3169000000e-03 -3.4610000000e-03  1.5944000000e-03  9.6680000000e-04  2.5459000000e-03  2.9476000000e-03  3.3390000000e-04
-
-JOB 86
-COORDS  1.1498480000e+00  2.9757660000e+00  3.3525860000e+00  5.4756800000e-01  2.6784150000e+00  2.6706230000e+00  1.6315140000e+00  3.6979070000e+00  2.9491740000e+00 -1.1387770000e+00 -2.9767890000e+00 -3.2264390000e+00 -1.0253470000e+00 -2.4309670000e+00 -4.0045420000e+00 -1.3131470000e+00 -3.8526280000e+00 -3.5710150000e+00
-ENERGY -1.526541314420e+02
-FORCES -5.2110000000e-04  1.5972000000e-03 -4.4820000000e-03  2.4675000000e-03  1.3232000000e-03  2.8162000000e-03 -1.9469000000e-03 -2.8975000000e-03  1.6604000000e-03 -2.4870000000e-04 -1.4565000000e-03 -4.5838000000e-03 -4.5910000000e-04 -2.1654000000e-03  3.2012000000e-03  7.0820000000e-04  3.5990000000e-03  1.3880000000e-03
-
-JOB 87
-COORDS  6.1199500000e-01 -4.5244590000e+00 -1.1749220000e+00  1.1919750000e+00 -4.6850170000e+00 -1.9192850000e+00  5.6869000000e-01 -3.5707430000e+00 -1.1057710000e+00 -6.0972100000e-01  4.4189120000e+00  1.2062710000e+00 -3.1750500000e-01  5.1956110000e+00  1.6833260000e+00 -1.4929570000e+00  4.6378520000e+00  9.0930200000e-01
-ENERGY -1.526542083787e+02
-FORCES  2.2003000000e-03  3.3429000000e-03 -2.6863000000e-03 -2.3632000000e-03  6.0730000000e-04  3.0055000000e-03  1.6650000000e-04 -3.9713000000e-03 -3.3670000000e-04 -2.4372000000e-03  4.1009000000e-03  8.0840000000e-04 -1.1863000000e-03 -3.1686000000e-03 -1.9682000000e-03  3.6199000000e-03 -9.1130000000e-04  1.1774000000e-03
-
-JOB 88
-COORDS  7.0330000000e-02  4.1047360000e+00  3.7096870000e+00 -9.1072000000e-02  3.1942570000e+00  3.4622810000e+00 -7.0950400000e-01  4.3615710000e+00  4.2017510000e+00 -1.8631000000e-02 -4.0256050000e+00 -3.6709910000e+00  6.9390100000e-01 -4.5207220000e+00 -4.0752050000e+00 -7.9583600000e-01 -4.2698860000e+00 -4.1734960000e+00
-ENERGY -1.526541290376e+02
-FORCES -3.8281000000e-03 -2.7257000000e-03  9.3230000000e-04  6.4680000000e-04  3.7500000000e-03  1.0617000000e-03  3.1749000000e-03 -1.0213000000e-03 -1.9841000000e-03 -2.2950000000e-04 -3.0106000000e-03 -3.7368000000e-03 -2.9196000000e-03  2.0106000000e-03  1.6575000000e-03  3.1556000000e-03  9.9700000000e-04  2.0694000000e-03
-
-JOB 89
-COORDS  1.1287520000e+00  6.3074640000e+00  1.7028990000e+00  1.1143500000e+00  7.2230920000e+00  1.9815540000e+00  1.4224410000e+00  6.3382970000e+00  7.9239000000e-01 -1.1615100000e+00 -6.4203940000e+00 -1.6648170000e+00 -1.7163340000e+00 -5.6461010000e+00 -1.7590190000e+00 -2.7451200000e-01 -6.0710200000e+00 -1.5787760000e+00
-ENERGY -1.526541069165e+02
-FORCES  1.1439000000e-03  3.8999000000e-03 -2.5520000000e-03  5.8600000000e-05 -3.7429000000e-03 -1.1467000000e-03 -1.2031000000e-03 -1.5450000000e-04  3.7040000000e-03  1.3526000000e-03  4.6039000000e-03  5.3000000000e-06  2.2595000000e-03 -3.1688000000e-03  3.6120000000e-04 -3.6115000000e-03 -1.4377000000e-03 -3.7170000000e-04
-
-JOB 0
-COORDS  1.1777420000e+00 -1.1363000000e-02  3.8540600000e-01  1.9089610000e+00  6.0591500000e-01  4.0817200000e-01  9.9809100000e-01 -2.0463000000e-01  1.3055170000e+00 -1.2297860000e+00 -1.6013000000e-02 -5.0979300000e-01 -1.8198870000e+00 -1.9293000000e-02  2.4386600000e-01 -3.5244200000e-01  3.9320000000e-03 -1.2756300000e-01
-ENERGY -1.526547947822e+02
-FORCES -1.0529600000e-02  3.5659000000e-03 -4.6774000000e-03 -3.1698000000e-03 -4.3007000000e-03  2.0043000000e-03 -2.2522000000e-03  2.5530000000e-03 -6.4913000000e-03  1.9515000000e-02  1.4984000000e-03  5.9611000000e-03  4.5039000000e-03 -2.4840000000e-04 -3.4720000000e-04 -8.0672000000e-03 -3.0682000000e-03  3.5504000000e-03
-
-JOB 1
-COORDS  9.7451300000e-01 -1.1747100000e-01 -9.3333000000e-01  8.6990700000e-01 -1.0589750000e+00 -1.0706590000e+00  4.3069000000e-01  7.5544000000e-02 -1.6963300000e-01 -8.8474800000e-01  2.0755900000e-01  8.9317300000e-01 -8.4800100000e-01 -6.9838900000e-01  1.1999940000e+00 -1.7970110000e+00  3.3614800000e-01  6.3341700000e-01
-ENERGY -1.526557385007e+02
-FORCES -1.4888900000e-02  2.1939000000e-03  1.2545800000e-02 -8.6980000000e-04  2.3394000000e-03  1.8832000000e-03  7.3092000000e-03 -4.9892000000e-03 -2.4961000000e-03  2.4881000000e-03 -1.9647000000e-03 -9.7630000000e-03  1.8577000000e-03  4.6460000000e-03 -4.9453000000e-03  4.1037000000e-03 -2.2254000000e-03  2.7755000000e-03
-
-JOB 2
-COORDS  5.5231400000e-01  9.6782400000e-01 -5.8073000000e-01  8.8340900000e-01  1.7147510000e+00 -8.2025000000e-02  1.6895500000e-01  1.3555020000e+00 -1.3674780000e+00 -5.1818000000e-01 -1.0881610000e+00  5.8700600000e-01 -1.1914440000e+00 -9.0889300000e-01  1.2433670000e+00 -3.8658100000e-01 -2.5034600000e-01  1.4318200000e-01
-ENERGY -1.526575004137e+02
-FORCES -1.9210000000e-03 -4.6564000000e-03  5.2208000000e-03 -2.5098000000e-03 -3.1292000000e-03 -3.6478000000e-03  1.1130000000e-03 -2.2331000000e-03  5.5581000000e-03  6.8564000000e-03  1.4567700000e-02 -7.4647000000e-03  2.7767000000e-03  1.9274000000e-03 -2.5253000000e-03 -6.3153000000e-03 -6.4763000000e-03  2.8588000000e-03
-
-JOB 3
-COORDS -7.2086500000e-01 -9.0147200000e-01  7.3266300000e-01 -2.0894800000e-01 -2.0683800000e-01  3.1834800000e-01 -7.4324000000e-02 -1.5648960000e+00  9.7367200000e-01  6.9092200000e-01  8.5696100000e-01 -6.8795300000e-01  5.0160000000e-01  8.8451100000e-01 -1.6258390000e+00  2.3269600000e-01  1.6164670000e+00 -3.2821500000e-01
-ENERGY -1.526584112855e+02
-FORCES  1.2426400000e-02  9.0271000000e-03 -9.9212000000e-03 -6.8984000000e-03 -2.1040000000e-04  7.4963000000e-03 -1.4119000000e-03  1.8976000000e-03 -1.1049000000e-03 -5.8640000000e-03 -4.0609000000e-03 -7.9020000000e-04  1.1654000000e-03  1.2669000000e-03  5.0505000000e-03  5.8250000000e-04 -7.9203000000e-03 -7.3050000000e-04
-
-JOB 4
-COORDS  6.2310800000e-01 -3.1818400000e-01 -1.0643700000e+00  9.1908900000e-01 -1.2225340000e+00 -1.1681860000e+00  1.3233900000e+00  2.0914800000e-01 -1.4487620000e+00 -6.6578600000e-01  3.7693200000e-01  1.1507680000e+00 -1.5139830000e+00  6.1214000000e-02  8.3913500000e-01 -4.2025000000e-02  8.4877000000e-02  4.8604500000e-01
-ENERGY -1.526591857799e+02
-FORCES -1.1150000000e-03  2.2049000000e-03  4.6751000000e-03 -1.4998000000e-03  5.3693000000e-03  8.8230000000e-04 -3.2196000000e-03 -4.0252000000e-03  2.0009000000e-03  6.2877000000e-03 -4.8644000000e-03 -1.6582400000e-02  1.8882000000e-03  2.4700000000e-04  1.1875000000e-03 -2.3414000000e-03  1.0683000000e-03  7.8366000000e-03
-
-JOB 5
-COORDS -8.4926700000e-01  1.3960200000e-01  1.0950120000e+00 -4.3756000000e-01  2.5139700000e-01  2.3813900000e-01 -1.1620100000e-01  3.7760000000e-02  1.7020320000e+00  7.6177900000e-01 -8.6447000000e-02 -1.0495400000e+00  1.3458680000e+00 -1.5559200000e-01 -1.8047160000e+00  5.3293800000e-01 -9.9183400000e-01 -8.3945000000e-01
-ENERGY -1.526576147606e+02
-FORCES  9.7062000000e-03  3.7165000000e-03 -7.3531000000e-03 -2.7406000000e-03 -7.5468000000e-03  2.7095000000e-03 -2.3927000000e-03 -1.0385000000e-03 -1.6340000000e-03 -2.3575000000e-03 -3.2790000000e-04  1.7989000000e-03 -2.2965000000e-03 -2.1300000000e-03  4.2421000000e-03  8.1100000000e-05  7.3266000000e-03  2.3660000000e-04
-
-JOB 6
-COORDS  1.2426030000e+00 -6.0197600000e-01 -1.0399300000e-01  1.1885030000e+00 -1.0747290000e+00  7.2655400000e-01  4.1269400000e-01 -1.2899500000e-01 -1.6541200000e-01 -1.1529380000e+00  5.5522200000e-01  6.7042000000e-02 -1.1208080000e+00  1.2687840000e+00 -5.7016200000e-01 -1.9434230000e+00  7.2611400000e-01  5.7905900000e-01
-ENERGY -1.526570965709e+02
-FORCES -1.5617600000e-02  4.4087000000e-03  5.4960000000e-03  8.8920000000e-04  5.6050000000e-04 -1.8036000000e-03  4.8553000000e-03  2.2493000000e-03 -5.6661000000e-03  5.5221000000e-03 -2.9847000000e-03  1.6802000000e-03  1.1889000000e-03 -4.9260000000e-03  3.8308000000e-03  3.1620000000e-03  6.9220000000e-04 -3.5373000000e-03
-
-JOB 7
-COORDS -4.0417700000e-01  1.2329270000e+00 -1.1350500000e-01 -8.6736300000e-01  1.5238610000e+00 -8.9903000000e-01 -1.0546430000e+00  1.2961020000e+00  5.8587600000e-01  5.1229400000e-01 -1.2671040000e+00  1.7081900000e-01  2.5245700000e-01 -1.9305360000e+00 -4.6837900000e-01  1.1278600000e-01 -4.5762500000e-01 -1.4756600000e-01
-ENERGY -1.526594538613e+02
-FORCES -1.3995000000e-03 -2.7132000000e-03  2.5117000000e-03  2.0598000000e-03 -3.3233000000e-03  4.2669000000e-03  3.0228000000e-03 -5.9160000000e-04 -5.0459000000e-03 -4.6810000000e-03  1.3717200000e-02 -3.2128000000e-03 -4.0370000000e-04  4.0780000000e-03  9.6640000000e-04  1.4015000000e-03 -1.1167200000e-02  5.1370000000e-04
-
-JOB 8
-COORDS -7.1106900000e-01  1.1728150000e+00 -2.3944700000e-01 -2.5825200000e-01  3.4280900000e-01 -9.0184000000e-02 -6.4729300000e-01  1.6347060000e+00  5.9650900000e-01  6.6529300000e-01 -1.1060870000e+00  2.2486500000e-01  1.6699800000e-01 -1.8918260000e+00  3.5000000000e-05  1.4465780000e+00 -1.1514960000e+00 -3.2628300000e-01
-ENERGY -1.526610025043e+02
-FORCES  8.6236000000e-03 -1.3002600000e-02  5.4737000000e-03 -5.6534000000e-03  8.0628000000e-03 -3.0535000000e-03  2.6710000000e-04 -1.6732000000e-03 -2.0660000000e-03 -1.3759000000e-03  2.1134000000e-03 -3.4216000000e-03  3.0101000000e-03  4.7774000000e-03  3.9810000000e-04 -4.8714000000e-03 -2.7780000000e-04  2.6693000000e-03
-
-JOB 9
-COORDS -3.9054100000e-01 -5.9748100000e-01 -1.2192860000e+00 -1.5065100000e-01  1.4533300000e-01 -6.6528900000e-01  2.1900900000e-01 -1.2912740000e+00 -9.6762700000e-01  3.2399000000e-01  5.7471300000e-01  1.1040960000e+00  1.1854100000e-01  1.3935580000e+00  1.5552230000e+00  7.9197300000e-01  5.2593000000e-02  1.7557210000e+00
-ENERGY -1.526570179120e+02
-FORCES  5.9210000000e-03  4.5495000000e-03  1.4266800000e-02 -2.1164000000e-03  4.9760000000e-04 -6.5268000000e-03 -1.5742000000e-03  5.1850000000e-04 -1.0964000000e-03 -1.1459000000e-03 -4.3253000000e-03 -1.9119000000e-03  1.0101000000e-03 -4.3764000000e-03 -2.2763000000e-03 -2.0946000000e-03  3.1361000000e-03 -2.4555000000e-03
-
-JOB 10
-COORDS  3.8104600000e-01  1.1366760000e+00 -5.5940800000e-01 -4.6341000000e-02  1.0104010000e+00 -1.4065360000e+00  1.7392100000e-01  2.0395670000e+00 -3.1832700000e-01 -4.1099200000e-01 -1.1821090000e+00  6.1900800000e-01  2.6437800000e-01 -1.8438070000e+00  7.6821400000e-01  2.2062000000e-02 -5.1226400000e-01  8.9855000000e-02
-ENERGY -1.526590993826e+02
-FORCES -4.7368000000e-03  3.2440000000e-04  4.0511000000e-03  2.0648000000e-03 -1.2478000000e-03  5.8010000000e-03  1.0847000000e-03 -3.2850000000e-03 -3.4035000000e-03  5.7125000000e-03  1.0564300000e-02 -3.4375000000e-03 -1.2433000000e-03  3.3001000000e-03 -1.2715000000e-03 -2.8820000000e-03 -9.6560000000e-03 -1.7395000000e-03
-
-JOB 11
-COORDS  4.4304600000e-01 -9.4003500000e-01 -9.8950800000e-01  5.4477200000e-01 -2.0273200000e-01 -3.8762100000e-01 -4.9822200000e-01 -1.1136710000e+00 -9.9938000000e-01 -3.4183500000e-01  8.5375300000e-01  9.5521200000e-01 -2.2873700000e-01  1.7952320000e+00  8.2461100000e-01 -1.2888150000e+00  7.3327300000e-01  1.0255440000e+00
-ENERGY -1.526577178107e+02
-FORCES -6.7216000000e-03  9.0891000000e-03  1.0936300000e-02  4.6844000000e-03 -2.7645000000e-03 -6.0093000000e-03  1.4671000000e-03 -5.3860000000e-04 -6.9900000000e-04 -3.5627000000e-03 -1.1841000000e-03 -2.8294000000e-03 -3.8760000000e-04 -5.4827000000e-03 -3.8380000000e-04  4.5205000000e-03  8.8090000000e-04 -1.0148000000e-03
-
-JOB 12
-COORDS  5.9354900000e-01 -1.0821620000e+00  6.3042200000e-01  3.8147600000e-01 -2.0003580000e+00  4.6257300000e-01 -1.1286200000e-01 -5.9193800000e-01  2.0983200000e-01 -4.7945700000e-01  1.0940580000e+00 -5.7307300000e-01 -8.2530200000e-01  7.4921900000e-01 -1.3963040000e+00 -1.1982880000e+00  1.6102210000e+00 -2.0825900000e-01
-ENERGY -1.526567864338e+02
-FORCES -5.1030000000e-03  9.0686000000e-03 -4.3949000000e-03 -7.7720000000e-04  4.7059000000e-03 -1.2442000000e-03  1.0516000000e-03 -1.0220900000e-02  1.6488000000e-03 -3.0880000000e-04  1.2555000000e-03 -6.5290000000e-04  1.4999000000e-03 -1.0570000000e-03  6.6726000000e-03  3.6375000000e-03 -3.7521000000e-03 -2.0294000000e-03
-
-JOB 13
-COORDS  2.2173700000e-01 -6.4585200000e-01  1.2378060000e+00  2.1317200000e-01 -1.1559000000e-01  4.4095000000e-01 -3.1255000000e-01 -1.5244800000e-01  1.8601580000e+00 -1.3618500000e-01  5.9919700000e-01 -1.1863760000e+00 -2.7420100000e-01 -4.2362000000e-02 -1.8832150000e+00 -9.4480200000e-01  1.1110820000e+00 -1.1678440000e+00
-ENERGY -1.526601477193e+02
-FORCES -2.2573000000e-03  8.1510000000e-03 -1.1515700000e-02  9.6130000000e-04 -4.2070000000e-03  9.5923000000e-03  8.8090000000e-04 -6.9290000000e-04 -2.8876000000e-03 -3.4511000000e-03 -4.2661000000e-03  1.1412000000e-03 -6.9400000000e-05  4.1290000000e-03  3.1734000000e-03  3.9356000000e-03 -3.1140000000e-03  4.9650000000e-04
-
-JOB 14
-COORDS  1.3015050000e+00  4.3732300000e-01  3.3013600000e-01  1.9719650000e+00 -1.5850300000e-01 -4.0900000000e-03  4.8032500000e-01 -4.3723000000e-02  2.2771100000e-01 -1.2515730000e+00 -3.8757100000e-01 -2.4924300000e-01 -1.5219450000e+00 -9.5351500000e-01 -9.7231700000e-01 -1.6462840000e+00  4.6140200000e-01 -4.4844200000e-01
-ENERGY -1.526607202101e+02
-FORCES -1.0825500000e-02 -6.6135000000e-03 -3.2679000000e-03 -2.9940000000e-03  9.9550000000e-04  3.6940000000e-04  9.2034000000e-03  3.8937000000e-03  2.5953000000e-03  2.0941000000e-03  3.6149000000e-03 -3.2168000000e-03  1.0366000000e-03  3.3019000000e-03  3.0780000000e-03  1.4855000000e-03 -5.1926000000e-03  4.4190000000e-04
-
-JOB 15
-COORDS  1.8906800000e-01  1.1914350000e+00 -7.5069500000e-01 -1.8243200000e-01  1.0880140000e+00 -1.6267800000e+00  1.2712100000e-01  3.2008600000e-01 -3.5935700000e-01 -1.7214100000e-01 -1.0760010000e+00  7.3541200000e-01  6.0825600000e-01 -1.6245040000e+00  8.1513900000e-01 -7.6960200000e-01 -1.4099890000e+00  1.4045340000e+00
-ENERGY -1.526599955230e+02
-FORCES -3.6985000000e-03 -1.0426800000e-02  5.3815000000e-03  8.5560000000e-04 -6.6580000000e-04  2.9640000000e-03  4.3738000000e-03  5.2761000000e-03 -6.2276000000e-03 -1.3446000000e-03  3.3872000000e-03  1.0890000000e-03 -4.3008000000e-03  3.0409000000e-03 -6.3020000000e-04  4.1145000000e-03 -6.1160000000e-04 -2.5766000000e-03
-
-JOB 16
-COORDS  1.8501600000e-01 -7.6777800000e-01 -1.1405010000e+00 -6.7415600000e-01 -1.1550440000e+00 -9.7293000000e-01  7.9260800000e-01 -1.3006180000e+00 -6.2752400000e-01 -1.7191600000e-01  8.0002000000e-01  1.1619790000e+00 -7.6156000000e-02  2.8855400000e-01  3.5857100000e-01 -2.6025800000e-01  1.7045430000e+00  8.6153700000e-01
-ENERGY -1.526595721545e+02
-FORCES -1.6770000000e-04 -4.6755000000e-03  1.5166000000e-03  5.4289000000e-03  4.8503000000e-03  1.7219000000e-03 -4.8949000000e-03  5.3068000000e-03 -9.7300000000e-04  2.2486000000e-03 -2.7746000000e-03 -1.3110700000e-02 -2.6268000000e-03  1.7970000000e-04  1.0221000000e-02  1.1800000000e-05 -2.8867000000e-03  6.2420000000e-04
-
-JOB 17
-COORDS -4.2704400000e-01  1.1136390000e+00 -6.4392800000e-01  2.0039700000e-01  1.8320380000e+00 -7.2425500000e-01 -1.1177170000e+00  1.4602610000e+00 -7.9078000000e-02  4.6360100000e-01 -1.1306430000e+00  6.5710100000e-01  4.8863200000e-01 -2.0874120000e+00  6.7123300000e-01 -1.6033100000e-01 -9.1711900000e-01 -3.6692000000e-02
-ENERGY -1.526573127634e+02
-FORCES  4.4619000000e-03  1.7768000000e-03  5.0582000000e-03 -3.7312000000e-03 -1.5408000000e-03  1.0400000000e-05  2.6357000000e-03 -2.1282000000e-03 -2.8035000000e-03 -3.0565000000e-03  4.3743000000e-03 -5.5570000000e-03 -8.3210000000e-04  4.5601000000e-03 -1.2901000000e-03  5.2220000000e-04 -7.0422000000e-03  4.5820000000e-03
-
-JOB 18
-COORDS  2.1390400000e-01 -1.2983200000e+00 -2.4431300000e-01 -1.2353100000e-01 -1.9587890000e+00 -8.4941700000e-01  1.1656320000e+00 -1.3699870000e+00 -3.1718900000e-01 -2.2142000000e-01  1.3566610000e+00  3.4263800000e-01 -6.8699000000e-02  5.5768100000e-01 -1.6188100000e-01 -8.3886700000e-01  1.8607890000e+00 -1.8731200000e-01
-ENERGY -1.526593828317e+02
-FORCES  9.7380000000e-04 -1.1957000000e-03 -1.1200000000e-04  2.2839000000e-03  3.2451000000e-03  2.9396000000e-03 -5.7674000000e-03  1.4606000000e-03 -6.8040000000e-04 -7.8590000000e-04 -1.0762800000e-02 -3.9040000000e-03  1.5869000000e-03  1.0151000000e-02  7.7310000000e-04  1.7088000000e-03 -2.8982000000e-03  9.8370000000e-04
-
-JOB 19
-COORDS -1.3005680000e+00  1.6466400000e-01  6.2547700000e-01 -1.4365140000e+00 -5.0250700000e-01 -4.7303000000e-02 -3.8024700000e-01  4.1200400000e-01  5.3567500000e-01  1.2023970000e+00 -1.7545400000e-01 -6.1490100000e-01  1.8888680000e+00  3.1027600000e-01 -1.0721270000e+00  1.4408450000e+00 -1.1463200000e-01  3.1012600000e-01
-ENERGY -1.526547891538e+02
-FORCES  8.2262000000e-03 -2.6503000000e-03 -1.0405100000e-02 -2.5020000000e-03  1.2812000000e-03  3.2549000000e-03  2.3448000000e-03 -4.1270000000e-04  7.4031000000e-03  2.3569000000e-03  1.3365000000e-03  1.3117000000e-03 -3.4508000000e-03 -2.5007000000e-03  2.7762000000e-03 -6.9752000000e-03  2.9459000000e-03 -4.3408000000e-03
-
-JOB 20
-COORDS  8.8897400000e-01 -5.5982600000e-01 -1.0051590000e+00  3.6006200000e-01 -8.4748000000e-01 -1.7492950000e+00  2.5046600000e-01 -3.5158700000e-01 -3.2312100000e-01 -8.2412300000e-01  5.9452500000e-01  9.4479100000e-01 -1.5032920000e+00  8.3832000000e-02  1.3854210000e+00 -8.4111000000e-02  5.8396000000e-01  1.5518350000e+00
-ENERGY -1.526600386969e+02
-FORCES -1.0131700000e-02  4.5331000000e-03  4.5540000000e-03  1.1506000000e-03  5.7060000000e-04  2.5252000000e-03  8.6533000000e-03 -5.1367000000e-03 -3.2549000000e-03  1.1800000000e-04  2.4810000000e-04  4.4280000000e-03  4.1057000000e-03  2.0922000000e-03 -2.7772000000e-03 -3.8959000000e-03 -2.3072000000e-03 -5.4752000000e-03
-
-JOB 21
-COORDS  2.6029700000e-01 -9.5003000000e-02 -1.3809490000e+00  7.1705400000e-01 -9.2412700000e-01 -1.2389700000e+00  9.5961000000e-01  5.5388700000e-01 -1.4592800000e+00 -3.0896000000e-01  1.6566300000e-01  1.4090810000e+00 -9.1719900000e-01 -5.0396000000e-01  1.7219430000e+00  1.5100000000e-04 -1.6594500000e-01  5.6604000000e-01
-ENERGY -1.526571940186e+02
-FORCES  3.9887000000e-03  2.3686000000e-03 -2.2022000000e-03 -4.1944000000e-03  5.4651000000e-03  4.4269000000e-03 -3.6166000000e-03 -4.3451000000e-03  1.1629000000e-03 -1.4490000000e-03 -1.9510000000e-03 -1.0584400000e-02  2.5417000000e-03  1.5766000000e-03 -2.0263000000e-03  2.7296000000e-03 -3.1142000000e-03  9.2230000000e-03
-
-JOB 22
-COORDS  1.1743970000e+00 -7.4166200000e-01 -1.3531500000e-01  7.9110000000e-01 -1.6172750000e+00 -1.8648200000e-01  1.5424260000e+00 -5.8955400000e-01 -1.0057460000e+00 -1.2356020000e+00  7.7687800000e-01  1.9846600000e-01 -5.4614000000e-01  1.1290200000e-01  1.9524300000e-01 -7.8445200000e-01  1.5923760000e+00 -1.9842000000e-02
-ENERGY -1.526594802746e+02
-FORCES  5.9050000000e-04 -1.4413000000e-03 -4.7500000000e-03 -2.4920000000e-04  6.5855000000e-03  4.1960000000e-04 -1.8413000000e-03 -9.2060000000e-04  4.5187000000e-03  1.3028300000e-02 -2.9001000000e-03 -1.1239000000e-03 -9.4368000000e-03  2.4140000000e-04  9.4740000000e-04 -2.0915000000e-03 -1.5650000000e-03 -1.1900000000e-05
-
-JOB 23
-COORDS -1.4836600000e-01  6.9096700000e-01  1.1963860000e+00 -1.0722480000e+00  6.2955500000e-01  1.4390840000e+00  3.0745600000e-01  1.6219500000e-01  1.8512600000e+00  1.5058500000e-01 -6.6333100000e-01 -1.3124900000e+00 -1.0830200000e-01 -3.1107000000e-02 -6.4204100000e-01  8.7523500000e-01 -1.1484660000e+00 -9.1782700000e-01
-ENERGY -1.526594539783e+02
-FORCES -6.0250000000e-04 -3.9588000000e-03  3.1917000000e-03  5.0292000000e-03 -3.4090000000e-04 -2.3566000000e-03 -2.4225000000e-03  2.3041000000e-03 -3.2840000000e-03  1.8814000000e-03  5.3284000000e-03  1.1914900000e-02 -2.1560000000e-03 -3.6760000000e-03 -8.1145000000e-03 -1.7297000000e-03  3.4310000000e-04 -1.3515000000e-03
-
-JOB 24
-COORDS -6.3021300000e-01  4.1985900000e-01  1.1924650000e+00  6.8580000000e-03 -9.6680000000e-02  1.6859840000e+00 -3.4361200000e-01  1.3261150000e+00  1.3055620000e+00  5.9279800000e-01 -4.0117300000e-01 -1.2816580000e+00  8.5646000000e-01 -1.3166100000e+00 -1.1884470000e+00  1.3369400000e-01 -1.9945000000e-01 -4.6632800000e-01
-ENERGY -1.526600146621e+02
-FORCES  3.0667000000e-03  3.7107000000e-03  3.5042000000e-03 -2.5891000000e-03  1.7699000000e-03 -5.8455000000e-03 -1.1218000000e-03 -5.3569000000e-03 -5.3350000000e-04 -6.2429000000e-03  8.3040000000e-04  8.6266000000e-03 -9.2670000000e-04  3.2349000000e-03  1.3925000000e-03  7.8138000000e-03 -4.1889000000e-03 -7.1444000000e-03
-
-JOB 25
-COORDS -9.8374000000e-02 -4.0537600000e-01 -1.3249450000e+00 -5.0174800000e-01 -1.1479710000e+00 -1.7744710000e+00 -7.0960900000e-01  3.1852400000e-01 -1.4612960000e+00  1.1432600000e-01  3.8382900000e-01  1.4037810000e+00  8.0873900000e-01  1.0276310000e+00  1.5435680000e+00  2.0303600000e-01  1.3085000000e-01  4.8488800000e-01
-ENERGY -1.526608050385e+02
-FORCES -4.3647000000e-03 -2.3201000000e-03 -7.1680000000e-04  1.1126000000e-03  4.4889000000e-03  6.9360000000e-04  4.0760000000e-03 -3.8182000000e-03  2.3758000000e-03  2.6196000000e-03 -3.4609000000e-03 -8.4882000000e-03 -2.4515000000e-03 -1.9478000000e-03 -1.7277000000e-03 -9.9200000000e-04  7.0582000000e-03  7.8633000000e-03
-
-JOB 26
-COORDS -4.5581000000e-02 -4.7586500000e-01 -1.3793200000e+00  1.7346400000e-01 -2.1413200000e-01 -4.8503500000e-01  8.0045200000e-01 -6.4461500000e-01 -1.7940290000e+00 -6.0260000000e-03  4.6422200000e-01  1.2847350000e+00 -1.2192100000e-01 -2.1031200000e-01  1.9539160000e+00 -9.1526000000e-02  1.2907870000e+00  1.7598270000e+00
-ENERGY -1.526609244303e+02
-FORCES  2.2298000000e-03  3.9200000000e-03  8.2544000000e-03  8.8300000000e-04 -5.5500000000e-03 -8.2765000000e-03 -2.3438000000e-03  8.4950000000e-04  2.3547000000e-03 -1.9534000000e-03  1.6192000000e-03  8.9410000000e-04  9.2610000000e-04  3.7454000000e-03 -3.0089000000e-03  2.5820000000e-04 -4.5841000000e-03 -2.1770000000e-04
-
-JOB 27
-COORDS -1.9699200000e-01  1.4460470000e+00  2.8850500000e-01 -1.1225490000e+00  1.5032950000e+00  5.1232000000e-02 -5.4340000000e-03  5.0822500000e-01  2.8315100000e-01  2.2572400000e-01 -1.3708950000e+00 -2.1302900000e-01 -3.6825600000e-01 -1.7140880000e+00 -8.8059100000e-01  1.0945370000e+00 -1.4332700000e+00 -6.0989800000e-01
-ENERGY -1.526608664399e+02
-FORCES -1.6815000000e-03 -1.1419200000e-02 -1.7042000000e-03  2.5402000000e-03 -1.9350000000e-04  2.6010000000e-04  2.9750000000e-04  1.0062200000e-02  1.6083000000e-03  6.2840000000e-04 -8.4470000000e-04 -5.1219000000e-03  3.1057000000e-03  1.6958000000e-03  3.0503000000e-03 -4.8903000000e-03  6.9940000000e-04  1.9073000000e-03
-
-JOB 28
-COORDS -8.3030700000e-01  1.2367740000e+00 -9.5380000000e-02 -1.4891510000e+00  9.5361000000e-01 -7.2939400000e-01 -2.0862400000e-01  5.1008700000e-01 -5.4536000000e-02  8.3909500000e-01 -1.1074270000e+00  1.4449800000e-01  1.2842750000e+00 -1.6593930000e+00 -4.9844900000e-01  2.3911100000e-01 -1.7010670000e+00  5.9598800000e-01
-ENERGY -1.526610669625e+02
-FORCES  5.4673000000e-03 -8.7299000000e-03 -2.0314000000e-03  1.8789000000e-03  3.4070000000e-04  2.0732000000e-03 -7.2749000000e-03  7.2160000000e-03  7.7850000000e-04  1.1170000000e-04 -3.7142000000e-03 -9.1480000000e-04 -2.7942000000e-03  1.5552000000e-03  3.6144000000e-03  2.6111000000e-03  3.3323000000e-03 -3.5199000000e-03
-
-JOB 29
-COORDS  9.9885700000e-01  9.6401000000e-01 -5.5394700000e-01  1.5638060000e+00  1.2250560000e+00  1.7332200000e-01  2.8197600000e-01  4.8314500000e-01 -1.4032600000e-01 -9.7933000000e-01 -9.1908300000e-01  5.4847400000e-01 -6.6970600000e-01 -1.7825500000e+00  2.7499900000e-01 -1.4539610000e+00 -5.8251600000e-01 -2.1157800000e-01
-ENERGY -1.526596216605e+02
-FORCES -3.8385000000e-03 -5.1556000000e-03  8.2296000000e-03 -1.4993000000e-03 -9.1490000000e-04 -2.4609000000e-03  1.9213000000e-03  6.1540000000e-03 -7.4797000000e-03 -1.1180000000e-03 -5.3334000000e-03 -3.8192000000e-03 -2.0484000000e-03  4.4488000000e-03  1.3600000000e-03  6.5830000000e-03  8.0110000000e-04  4.1703000000e-03
-
-JOB 30
-COORDS -7.3759500000e-01  1.1206440000e+00 -6.5480100000e-01 -6.5680500000e-01  1.8845560000e+00 -8.3711000000e-02 -3.2249300000e-01  4.1030100000e-01 -1.6558200000e-01  7.1894300000e-01 -1.0541300000e+00  5.9200900000e-01  6.7346000000e-02 -1.5163840000e+00  1.1192420000e+00  1.1584290000e+00 -1.7438940000e+00  9.4706000000e-02
-ENERGY -1.526613834524e+02
-FORCES  6.7087000000e-03 -5.3106000000e-03  5.4422000000e-03 -2.5930000000e-04 -2.8277000000e-03 -1.2365000000e-03 -7.6916000000e-03  7.1870000000e-03 -2.4650000000e-03  8.8380000000e-04 -4.7466000000e-03 -1.8101000000e-03  2.7047000000e-03  3.4027000000e-03 -3.5380000000e-03 -2.3463000000e-03  2.2953000000e-03  3.6074000000e-03
-
-JOB 31
-COORDS -1.1816610000e+00 -6.2545800000e-01  5.2973400000e-01 -8.5646400000e-01 -1.4234090000e+00  9.4657100000e-01 -1.3333270000e+00 -2.0201000000e-02  1.2556080000e+00  1.1678610000e+00  7.1654000000e-01 -5.8661800000e-01  4.8139000000e-01  8.2539000000e-02 -3.7917400000e-01  1.9115110000e+00  1.8236500000e-01 -8.6567700000e-01
-ENERGY -1.526607200223e+02
-FORCES -1.4768000000e-03  8.5810000000e-04  6.3446000000e-03  9.2200000000e-05  4.6176000000e-03 -2.9814000000e-03  7.8090000000e-04 -3.9599000000e-03 -3.4732000000e-03 -6.3227000000e-03 -5.8249000000e-03  1.2767000000e-03  1.0228600000e-02  3.6761000000e-03 -2.8162000000e-03 -3.3022000000e-03  6.3290000000e-04  1.6495000000e-03
-
-JOB 32
-COORDS  1.2346740000e+00 -7.4007300000e-01  2.8120000000e-03  8.0539000000e-01 -1.5954090000e+00  2.1492000000e-02  1.7052340000e+00 -7.2587600000e-01 -8.3061700000e-01 -1.2340720000e+00  8.3097800000e-01 -1.5030000000e-03 -6.0437200000e-01  1.2040000000e-01  1.2011100000e-01 -1.8907650000e+00  6.8899500000e-01  6.8027900000e-01
-ENERGY -1.526585758118e+02
-FORCES  3.4222000000e-03 -1.6938000000e-03 -5.0777000000e-03 -1.0735000000e-03  6.8179000000e-03  2.2190000000e-04 -1.9055000000e-03 -1.2465000000e-03  4.4128000000e-03  6.7654000000e-03 -3.9049000000e-03  2.4427000000e-03 -1.0390300000e-02  8.4220000000e-04  2.1420000000e-04  3.1817000000e-03 -8.1490000000e-04 -2.2139000000e-03
-
-JOB 33
-COORDS  7.0039700000e-01 -1.6971000000e-01  1.2836860000e+00  2.3772600000e-01 -1.0076630000e+00  1.2851890000e+00  1.5708200000e+00 -3.7677900000e-01  9.4351400000e-01 -7.3412800000e-01  1.6255800000e-01 -1.2902220000e+00 -4.1685500000e-01  4.1049700000e-01 -4.2183500000e-01 -7.3235400000e-01  9.7971000000e-01 -1.7887110000e+00
-ENERGY -1.526610988056e+02
-FORCES  3.3929000000e-03 -6.4567000000e-03 -9.3030000000e-04  1.9277000000e-03  5.2392000000e-03 -6.8630000000e-04 -4.1693000000e-03  1.1813000000e-03  1.8056000000e-03  3.2584000000e-03  3.5589000000e-03  6.0444000000e-03 -5.2346000000e-03 -9.6360000000e-04 -8.6209000000e-03  8.2500000000e-04 -2.5591000000e-03  2.3874000000e-03
-
-JOB 34
-COORDS  3.7661700000e-01  7.5852200000e-01  1.1700610000e+00 -1.4310900000e-01  6.6510100000e-01  1.9684270000e+00  1.3410000000e-01  1.6177950000e+00  8.2500100000e-01 -3.9585300000e-01 -8.0294600000e-01 -1.1969550000e+00  2.4104700000e-01 -2.4323000000e-01 -7.5276200000e-01  1.3506700000e-01 -1.4583570000e+00 -1.6494940000e+00
-ENERGY -1.526584157021e+02
-FORCES -5.8875000000e-03  3.9480000000e-04  3.2993000000e-03  2.7761000000e-03  1.9880000000e-03 -2.5653000000e-03  1.5585000000e-03 -4.9700000000e-03  1.1790000000e-04  4.9249000000e-03  1.6223000000e-03  5.2952000000e-03 -1.9291000000e-03 -1.5490000000e-03 -8.5166000000e-03 -1.4429000000e-03  2.5139000000e-03  2.3695000000e-03
-
-JOB 35
-COORDS -3.0897900000e-01  1.3317800000e+00 -4.0947600000e-01  6.6786000000e-02  1.9459340000e+00 -1.0402270000e+00 -3.8000200000e-01  1.8345510000e+00  4.0194800000e-01  3.3251900000e-01 -1.4389760000e+00  3.6154200000e-01 -4.8478000000e-02 -6.1625600000e-01  5.4611000000e-02  3.0783000000e-02 -1.5203920000e+00  1.2662840000e+00
-ENERGY -1.526603041721e+02
-FORCES  3.1684000000e-03  3.8223000000e-03 -5.2600000000e-04 -2.1880000000e-03 -1.3555000000e-03  3.7039000000e-03  2.8120000000e-04 -2.8156000000e-03 -3.6827000000e-03 -3.1207000000e-03  8.1425000000e-03 -9.7670000000e-04  9.2430000000e-04 -9.0021000000e-03  4.1931000000e-03  9.3490000000e-04  1.2083000000e-03 -2.7116000000e-03
-
-JOB 36
-COORDS -1.1317900000e+00  1.2475700000e-01 -9.3372700000e-01 -4.5320200000e-01  2.9086300000e-01 -1.5880660000e+00 -1.7812540000e+00  8.1216800000e-01 -1.0816920000e+00  1.1874070000e+00 -1.3819900000e-01  9.9871600000e-01  4.7393200000e-01  1.0423200000e-01  4.0845200000e-01  9.7456800000e-01 -1.0281490000e+00  1.2796420000e+00
-ENERGY -1.526603219209e+02
-FORCES -2.8663000000e-03  3.3335000000e-03 -4.5243000000e-03 -2.3599000000e-03 -3.5270000000e-04  6.1964000000e-03  3.3366000000e-03 -3.3867000000e-03 -1.5420000000e-04 -8.7762000000e-03 -2.3243000000e-03 -2.6149000000e-03  9.1671000000e-03  4.9700000000e-05  1.6723000000e-03  1.4987000000e-03  2.6806000000e-03 -5.7540000000e-04
-
-JOB 37
-COORDS -1.5082200000e-01  1.3271720000e+00  8.1889700000e-01  1.4762100000e-01  1.6795850000e+00 -1.9535000000e-02 -2.1998000000e-01  3.8387800000e-01  6.7177200000e-01  1.3912600000e-01 -1.2300140000e+00 -7.8349900000e-01  8.3523700000e-01 -1.7683510000e+00 -4.0686400000e-01 -6.2968700000e-01 -1.8002280000e+00 -7.8749100000e-01
-ENERGY -1.526600771803e+02
-FORCES  1.6274000000e-03 -6.8502000000e-03 -8.2859000000e-03 -7.5980000000e-04  1.0695000000e-03  3.2916000000e-03 -1.3185000000e-03  5.1015000000e-03  6.2145000000e-03  6.1840000000e-04 -5.6079000000e-03 -1.1905000000e-03 -4.1018000000e-03  3.0434000000e-03 -1.1423000000e-03  3.9342000000e-03  3.2437000000e-03  1.1127000000e-03
-
-JOB 38
-COORDS -4.6478700000e-01 -1.5510100000e-01  1.4777280000e+00 -8.6615800000e-01 -1.0240030000e+00  1.4658290000e+00 -1.8143200000e-01 -9.2560000000e-03  5.7513700000e-01  4.3161000000e-01  2.0613700000e-01 -1.3579500000e+00  4.0586700000e-01 -4.7607500000e-01 -2.0288850000e+00  1.1082020000e+00  8.1288300000e-01 -1.6584730000e+00
-ENERGY -1.526612357900e+02
-FORCES  1.4244000000e-03 -1.3900000000e-03 -8.7278000000e-03  1.2227000000e-03  2.4266000000e-03 -1.5390000000e-04 -2.9348000000e-03 -1.0289000000e-03  9.4420000000e-03  2.8354000000e-03 -1.8000000000e-05 -3.5669000000e-03  5.6410000000e-04  3.4087000000e-03  2.6974000000e-03 -3.1118000000e-03 -3.3984000000e-03  3.0930000000e-04
-
-JOB 39
-COORDS -1.9055300000e-01  1.4331030000e+00  1.8033500000e-01  3.1158200000e-01  2.0968610000e+00  6.5311100000e-01 -1.1019430000e+00  1.6110930000e+00  4.1254300000e-01  2.2266600000e-01 -1.5212820000e+00 -1.6319300000e-01  3.4117600000e-01 -5.7192500000e-01 -1.9333700000e-01  1.1287000000e-02 -1.7654760000e+00 -1.0642590000e+00
-ENERGY -1.526611971413e+02
-FORCES -2.8539000000e-03  2.8918000000e-03  3.7437000000e-03 -2.9102000000e-03 -2.6860000000e-03 -1.9515000000e-03  4.4243000000e-03  5.9350000000e-04 -1.0536000000e-03 -6.5400000000e-04  7.7056000000e-03 -2.1026000000e-03  1.6822000000e-03 -9.5808000000e-03 -1.5965000000e-03  3.1160000000e-04  1.0760000000e-03  2.9605000000e-03
-
-JOB 40
-COORDS -5.8255300000e-01  1.3289500000e+00  3.6328100000e-01 -1.0984360000e+00  8.1843600000e-01 -2.6079600000e-01 -1.2062170000e+00  1.9507970000e+00  7.3822200000e-01  6.9143000000e-01 -1.3858270000e+00 -3.6491900000e-01  7.2808600000e-01 -4.7457800000e-01 -6.5563300000e-01 -6.7083000000e-02 -1.4214840000e+00  2.1784900000e-01
-ENERGY -1.526555081230e+02
-FORCES -4.9513000000e-03  2.5148000000e-03 -2.3100000000e-04  4.8247000000e-03  4.1990000000e-04  3.1141000000e-03  2.3865000000e-03 -3.3737000000e-03 -1.6891000000e-03 -1.1724000000e-03  6.3431000000e-03  4.7412000000e-03 -2.2509000000e-03 -4.8531000000e-03 -1.9668000000e-03  1.1634000000e-03 -1.0510000000e-03 -3.9683000000e-03
-
-JOB 41
-COORDS  2.2415000000e-01 -8.8256500000e-01  1.2238550000e+00 -7.3280600000e-01 -8.6291400000e-01  1.2328960000e+00  4.8021600000e-01 -4.8556100000e-01  2.0563500000e+00 -1.7914100000e-01  8.3699600000e-01 -1.3334960000e+00  3.9919300000e-01  5.5075300000e-01 -6.2651200000e-01 -7.6040900000e-01  1.4775610000e+00 -9.2357400000e-01
-ENERGY -1.526583810053e+02
-FORCES -4.5480000000e-03 -1.4306000000e-03  4.1398000000e-03  4.8835000000e-03  9.8670000000e-04  7.9480000000e-04 -1.3957000000e-03 -7.4900000000e-04 -4.7429000000e-03  1.8551000000e-03 -1.2363000000e-03  7.1012000000e-03 -2.2020000000e-03  5.1106000000e-03 -6.1673000000e-03  1.4072000000e-03 -2.6814000000e-03 -1.1256000000e-03
-
-JOB 42
-COORDS  1.2799600000e+00  7.8465800000e-01  5.0224400000e-01  6.7341700000e-01  1.4668120000e+00  2.1414000000e-01  9.7755700000e-01  5.4950600000e-01  1.3794480000e+00 -1.2737260000e+00 -7.8614400000e-01 -5.0319300000e-01 -3.4822700000e-01 -8.8545000000e-01 -2.7998600000e-01 -1.3443250000e+00 -1.1313180000e+00 -1.3931950000e+00
-ENERGY -1.526591244362e+02
-FORCES -4.1483000000e-03  5.0614000000e-03  2.8716000000e-03  3.8523000000e-03 -2.9015000000e-03  1.4511000000e-03  1.1693000000e-03 -4.6860000000e-04 -4.7999000000e-03  5.7971000000e-03 -1.2643000000e-03 -2.3780000000e-03 -7.1953000000e-03 -2.0024000000e-03 -4.3090000000e-04  5.2480000000e-04  1.5754000000e-03  3.2861000000e-03
-
-JOB 43
-COORDS -1.3937640000e+00 -3.8198100000e-01 -7.6445000000e-01 -1.1171570000e+00  2.3812200000e-01 -1.4391290000e+00 -7.0545900000e-01 -3.3736300000e-01 -1.0076600000e-01  1.3253740000e+00  3.8636600000e-01  7.1448500000e-01  8.7450600000e-01  4.0687200000e-01  1.5586000000e+00  1.8450740000e+00 -4.1707700000e-01  7.3945200000e-01
-ENERGY -1.526588710704e+02
-FORCES  8.1542000000e-03  4.6080000000e-03  4.6650000000e-04 -2.3674000000e-03 -2.4050000000e-03  1.2527000000e-03 -7.0918000000e-03 -3.0084000000e-03 -3.7270000000e-04  4.4880000000e-03 -1.5652000000e-03  4.7118000000e-03  3.6350000000e-04 -1.4324000000e-03 -5.9343000000e-03 -3.5464000000e-03  3.8030000000e-03 -1.2400000000e-04
-
-JOB 44
-COORDS -3.1057000000e-01 -1.5835850000e+00  3.1361800000e-01 -6.8829800000e-01 -9.0267300000e-01 -2.4307900000e-01 -4.8358800000e-01 -1.2865500000e+00  1.2069650000e+00  4.1217300000e-01  1.5292770000e+00 -3.4586400000e-01 -3.0206000000e-02  1.6602080000e+00  4.9281900000e-01 -2.9040500000e-01  1.3017200000e+00 -9.5482600000e-01
-ENERGY -1.526509856020e+02
-FORCES  5.7050000000e-04  6.4282000000e-03  1.2144000000e-03 -1.2100000000e-03 -2.1003000000e-03  9.9790000000e-04  5.2400000000e-05 -1.1114000000e-03 -3.3608000000e-03 -3.2222000000e-03  2.4830000000e-04  1.0254000000e-03  1.3603000000e-03 -1.7328000000e-03 -3.7114000000e-03  2.4490000000e-03 -1.7321000000e-03  3.8345000000e-03
-
-JOB 45
-COORDS  6.7276000000e-02  1.6055170000e+00 -7.6209000000e-02  5.5770700000e-01  1.7227560000e+00 -8.8982100000e-01 -8.3619900000e-01  1.4638740000e+00 -3.5887700000e-01 -2.1099000000e-02 -1.5761450000e+00  2.0236400000e-01 -4.8875000000e-01 -1.1476330000e+00 -5.1451200000e-01  6.0020000000e-02 -2.4885310000e+00 -7.5492000000e-02
-ENERGY -1.526516543297e+02
-FORCES -6.1840000000e-04  3.0510000000e-04 -2.9800000000e-03 -2.6137000000e-03 -9.3730000000e-04  3.2150000000e-03  4.1016000000e-03 -1.1722000000e-03  3.9020000000e-04 -1.3106000000e-03 -2.5910000000e-04 -3.7731000000e-03  3.2570000000e-04 -2.3824000000e-03  1.9612000000e-03  1.1540000000e-04  4.4458000000e-03  1.1867000000e-03
-
-JOB 46
-COORDS  9.9506100000e-01 -9.7625400000e-01  7.8960300000e-01  9.7893100000e-01 -1.0113250000e+00  1.7460240000e+00  1.9651900000e-01 -1.4295910000e+00  5.1932900000e-01 -9.5173000000e-01  1.0664570000e+00 -8.4813200000e-01 -1.5509910000e+00  3.3419700000e-01 -9.9274500000e-01 -1.9378800000e-01  6.7427000000e-01 -4.1460500000e-01
-ENERGY -1.526574672110e+02
-FORCES -1.5257000000e-03 -4.2715000000e-03  5.5044000000e-03 -6.6600000000e-05 -3.5400000000e-04 -4.6674000000e-03  2.7838000000e-03  4.7663000000e-03 -9.4300000000e-05  3.3543000000e-03 -4.4262000000e-03  2.1546000000e-03  2.5136000000e-03  1.8333000000e-03  1.2450000000e-03 -7.0594000000e-03  2.4521000000e-03 -4.1423000000e-03
-
-JOB 47
-COORDS -6.0848600000e-01 -3.8288200000e-01  1.5199300000e+00 -1.0514320000e+00 -1.2294220000e+00  1.5782380000e+00 -3.2250800000e-01 -3.2394800000e-01  6.0835200000e-01  6.2799800000e-01  4.4930500000e-01 -1.4104430000e+00  1.1181070000e+00  6.4533600000e-01 -2.2089400000e+00 -4.3914000000e-02 -1.7335800000e-01 -1.6880340000e+00
-ENERGY -1.526557207298e+02
-FORCES  1.6134000000e-03 -1.3452000000e-03 -3.7662000000e-03  1.7005000000e-03  3.3542000000e-03 -1.0344000000e-03 -5.0561000000e-03 -3.3926000000e-03  3.9173000000e-03  1.5194000000e-03  3.5230000000e-04 -6.7672000000e-03 -2.6766000000e-03 -1.0151000000e-03  2.9298000000e-03  2.8993000000e-03  2.0464000000e-03  4.7208000000e-03
-
-JOB 48
-COORDS -7.8658300000e-01  9.6235100000e-01  1.1490260000e+00 -2.8874100000e-01  2.8900600000e-01  6.8535400000e-01 -1.6794600000e+00  6.1917600000e-01  1.1841350000e+00  7.7636400000e-01 -9.3864600000e-01 -1.0741570000e+00  1.4814330000e+00 -2.9474000000e-01 -1.0071090000e+00  6.6395900000e-01 -1.0743510000e+00 -2.0149970000e+00
-ENERGY -1.526591708569e+02
-FORCES -1.2620000000e-03 -6.2234000000e-03 -3.7406000000e-03 -1.1737000000e-03  5.8990000000e-03  5.3015000000e-03  2.7412000000e-03  1.6439000000e-03  2.1680000000e-04  2.7995000000e-03  1.0829000000e-03 -6.4548000000e-03 -4.4275000000e-03 -2.7845000000e-03  7.8000000000e-04  1.3225000000e-03  3.8220000000e-04  3.8970000000e-03
-
-JOB 49
-COORDS -8.2979000000e-01  1.3295330000e+00  4.6684300000e-01 -1.7256640000e+00  1.3446410000e+00  8.0361100000e-01 -9.2469200000e-01  1.4760450000e+00 -4.7430500000e-01  8.3119200000e-01 -1.3623890000e+00 -4.6357600000e-01  9.1523700000e-01 -8.3950100000e-01  3.3376700000e-01  1.7330620000e+00 -1.5262890000e+00 -7.3925600000e-01
-ENERGY -1.526575543713e+02
-FORCES -4.7456000000e-03  1.5210000000e-04 -3.9379000000e-03  3.6089000000e-03  1.2120000000e-04 -1.3912000000e-03 -8.2000000000e-05  8.6840000000e-04  4.4147000000e-03  2.6503000000e-03  2.6843000000e-03  3.6983000000e-03  2.1660000000e-03 -4.9165000000e-03 -3.7193000000e-03 -3.5976000000e-03  1.0905000000e-03  9.3540000000e-04
-
-JOB 50
-COORDS  6.9656400000e-01 -1.1687850000e+00 -9.1912700000e-01  3.1463100000e-01 -1.8629230000e+00 -1.4562790000e+00  1.1959570000e+00 -1.6326810000e+00 -2.4708600000e-01 -6.9117000000e-01  1.2697410000e+00  8.5577400000e-01 -6.1937700000e-01  3.3228100000e-01  1.0353490000e+00 -1.0134650000e+00  1.6469050000e+00  1.6743740000e+00
-ENERGY -1.526545722818e+02
-FORCES  1.7991000000e-03 -4.9574000000e-03 -1.9241000000e-03  1.7408000000e-03  3.0484000000e-03  2.6197000000e-03 -3.4438000000e-03  2.5188000000e-03 -1.9341000000e-03 -4.2340000000e-04 -3.6060000000e-03  2.1180000000e-03 -1.2084000000e-03  4.8034000000e-03  2.5950000000e-03  1.5358000000e-03 -1.8071000000e-03 -3.4745000000e-03
-
-JOB 51
-COORDS  1.6086800000e+00 -4.7271700000e-01 -3.5415300000e-01  1.9943670000e+00 -6.2615400000e-01 -1.2166700000e+00  8.3784800000e-01 -1.0397640000e+00 -3.3163600000e-01 -1.5737950000e+00  4.6231600000e-01  3.6097800000e-01 -2.4312170000e+00  8.2384100000e-01  5.8538500000e-01 -9.5154800000e-01  9.9578000000e-01  8.5540400000e-01
-ENERGY -1.526575446968e+02
-FORCES -2.9671000000e-03 -3.0429000000e-03 -4.0444000000e-03 -1.2782000000e-03  3.7080000000e-04  3.3132000000e-03  5.4772000000e-03  1.6014000000e-03  6.1400000000e-05 -5.6420000000e-04  4.6255000000e-03  2.9394000000e-03  3.6429000000e-03 -1.1267000000e-03 -9.0860000000e-04 -4.3107000000e-03 -2.4281000000e-03 -1.3610000000e-03
-
-JOB 52
-COORDS  6.1010600000e-01  1.1628190000e+00  1.1368970000e+00  2.6001600000e-01  7.0968400000e-01  3.6986500000e-01  5.0549400000e-01  2.0925870000e+00  9.3485700000e-01 -5.7550600000e-01 -1.2455330000e+00 -1.0536240000e+00 -1.1178240000e+00 -5.1846200000e-01 -7.4786300000e-01 -2.5213500000e-01 -9.6082300000e-01 -1.9083770000e+00
-ENERGY -1.526538437632e+02
-FORCES -2.9770000000e-04  3.5040000000e-04 -3.7777000000e-03 -1.6866000000e-03  4.7926000000e-03  3.0835000000e-03  3.5800000000e-05 -4.2941000000e-03  3.2470000000e-04 -2.8736000000e-03  9.6630000000e-04 -4.1873000000e-03  6.1945000000e-03 -1.1833000000e-03 -1.8540000000e-04 -1.3723000000e-03 -6.3200000000e-04  4.7423000000e-03
-
-JOB 53
-COORDS -7.3758000000e-02  1.2819270000e+00  1.0597830000e+00 -9.9966000000e-02  1.4431520000e+00  2.0029430000e+00 -7.7736000000e-01  1.8246280000e+00  7.0390200000e-01  1.2115200000e-01 -1.3561730000e+00 -1.0426590000e+00  8.3000800000e-01 -1.2513680000e+00 -1.6773010000e+00 -6.0936600000e-01 -8.6234000000e-01 -1.4150890000e+00
-ENERGY -1.526520689798e+02
-FORCES -2.7497000000e-03  1.9731000000e-03  3.0624000000e-03  2.5090000000e-04 -5.8220000000e-04 -4.0794000000e-03  2.8785000000e-03 -2.7171000000e-03  6.0260000000e-04  2.5010000000e-04  4.5978000000e-03 -2.3371000000e-03 -2.8418000000e-03 -8.1810000000e-04  2.2479000000e-03  2.2121000000e-03 -2.4535000000e-03  5.0370000000e-04
-
-JOB 54
-COORDS  1.1451080000e+00 -1.1185670000e+00  7.6525000000e-01  8.1130400000e-01 -1.3278440000e+00 -1.0710800000e-01  3.6124000000e-01 -1.0317690000e+00  1.3076980000e+00 -1.0934800000e+00  1.1453390000e+00 -6.8541800000e-01 -1.6823410000e+00  8.7481700000e-01 -1.3898980000e+00 -2.1690100000e-01  1.0663380000e+00 -1.0617170000e+00
-ENERGY -1.526557059616e+02
-FORCES -6.5757000000e-03  5.5600000000e-05 -4.1990000000e-04  2.4344000000e-03  1.2681000000e-03  2.2273000000e-03  4.2416000000e-03 -1.6944000000e-03 -1.3755000000e-03  1.7186000000e-03  7.9010000000e-04 -4.5052000000e-03  2.9132000000e-03  3.3380000000e-04  3.2902000000e-03 -4.7321000000e-03 -7.5320000000e-04  7.8310000000e-04
-
-JOB 55
-COORDS  3.9445000000e-01 -9.3917400000e-01 -1.3723120000e+00  5.3444000000e-02 -1.4480880000e+00 -6.3681700000e-01  8.9372300000e-01 -1.5706980000e+00 -1.8901300000e+00 -3.7110800000e-01  9.4874500000e-01  1.3922190000e+00 -1.1365340000e+00  1.4360140000e+00  1.6970550000e+00 -1.2807900000e-01  1.3736680000e+00  5.6965600000e-01
-ENERGY -1.526574967310e+02
-FORCES  5.1910000000e-04 -5.0964000000e-03  1.7971000000e-03  1.7249000000e-03  1.0068000000e-03 -4.8559000000e-03 -2.1016000000e-03  2.3400000000e-03  2.2227000000e-03 -1.3538000000e-03  4.3382000000e-03 -3.0784000000e-03  3.0129000000e-03 -2.0094000000e-03 -1.2761000000e-03 -1.8015000000e-03 -5.7920000000e-04  5.1906000000e-03
-
-JOB 56
-COORDS -6.1051900000e-01  1.5246170000e+00 -8.4832600000e-01  2.1446800000e-01  1.0591920000e+00 -9.8619700000e-01 -1.1257080000e+00  9.4023500000e-01 -2.9216900000e-01  5.4900100000e-01 -1.5129780000e+00  8.1548000000e-01  9.2119600000e-01 -9.5881900000e-01  1.2946900000e-01  9.6221000000e-01 -1.2060140000e+00  1.6224890000e+00
-ENERGY -1.526537336164e+02
-FORCES -1.3870000000e-04 -4.7374000000e-03  1.8919000000e-03 -1.9888000000e-03  6.0600000000e-04  1.3628000000e-03  2.4894000000e-03  3.7765000000e-03 -2.9840000000e-03  4.7472000000e-03  2.1251000000e-03  1.6771000000e-03 -3.0344000000e-03 -4.2010000000e-04  1.9104000000e-03 -2.0747000000e-03 -1.3501000000e-03 -3.8582000000e-03
-
-JOB 57
-COORDS  6.2518800000e-01 -3.9174000000e-02  1.7425630000e+00 -2.4449000000e-02 -6.1496400000e-01  1.3392420000e+00  1.3678140000e+00 -6.1203600000e-01  1.9337920000e+00 -5.7871900000e-01  8.1961000000e-02 -1.7704660000e+00 -9.8167400000e-01  9.4999000000e-01 -1.7901080000e+00 -1.0263810000e+00 -3.7437100000e-01 -1.0580110000e+00
-ENERGY -1.526526971212e+02
-FORCES  1.7841000000e-03 -4.8617000000e-03 -1.6867000000e-03  9.6590000000e-04  2.4880000000e-03  1.0129000000e-03 -3.2436000000e-03  2.3926000000e-03 -3.4640000000e-04 -2.9764000000e-03  3.2436000000e-03  3.1646000000e-03  1.2760000000e-03 -3.9156000000e-03 -4.9560000000e-04  2.1939000000e-03  6.5320000000e-04 -1.6489000000e-03
-
-JOB 58
-COORDS -3.4557300000e-01 -1.9810600000e-01 -1.8699980000e+00 -1.1570650000e+00  2.9393100000e-01 -1.7450540000e+00 -5.6933700000e-01 -1.0960970000e+00 -1.6255110000e+00  3.7438900000e-01  1.6469800000e-01  1.8406820000e+00  4.7762900000e-01  7.1089900000e-01  2.6199360000e+00  8.2908500000e-01  6.4518800000e-01  1.1488630000e+00
-ENERGY -1.526563670785e+02
-FORCES -4.9934000000e-03 -2.6069000000e-03  1.8490000000e-03  3.5115000000e-03 -1.6146000000e-03 -8.9350000000e-04  8.9540000000e-04  3.6862000000e-03 -1.8889000000e-03  2.8714000000e-03  4.0395000000e-03 -5.0700000000e-04 -5.4260000000e-04 -2.0642000000e-03 -3.2511000000e-03 -1.7422000000e-03 -1.4399000000e-03  4.6915000000e-03
-
-JOB 59
-COORDS  2.3200200000e-01  1.0660160000e+00 -1.5137140000e+00  6.4267300000e-01  1.7464420000e+00 -9.8023400000e-01  2.5791600000e-01  1.4121660000e+00 -2.4057570000e+00 -2.3784200000e-01 -1.1087130000e+00  1.5992080000e+00 -8.4647300000e-01 -1.8009320000e+00  1.3410750000e+00  4.4761000000e-02 -7.1714300000e-01  7.7274600000e-01
-ENERGY -1.526573525587e+02
-FORCES  1.5574000000e-03  5.2261000000e-03 -3.1083000000e-03 -1.6705000000e-03 -3.5737000000e-03 -2.1473000000e-03  4.1000000000e-06 -9.6110000000e-04  3.7992000000e-03 -1.5749000000e-03 -7.7440000000e-04 -5.8801000000e-03  2.2425000000e-03  2.2434000000e-03  1.4342000000e-03 -5.5860000000e-04 -2.1603000000e-03  5.9024000000e-03
-
-JOB 60
-COORDS -1.9152760000e+00  4.6472000000e-01  2.5515400000e-01 -1.9651440000e+00 -3.9744800000e-01  6.6796300000e-01 -2.7675050000e+00  8.6404300000e-01  4.2973500000e-01  1.9194800000e+00 -4.2914100000e-01 -2.5205500000e-01  2.8461610000e+00 -3.0860700000e-01 -4.4775000000e-02  1.9155160000e+00 -7.5967800000e-01 -1.1503650000e+00
-ENERGY -1.526534348405e+02
-FORCES -2.7655000000e-03 -2.2621000000e-03  2.8725000000e-03 -7.3620000000e-04  3.5013000000e-03 -1.8668000000e-03  3.5952000000e-03 -1.4955000000e-03 -7.9970000000e-04  3.3987000000e-03 -1.1930000000e-04 -3.2751000000e-03 -3.8338000000e-03 -5.4040000000e-04 -7.5490000000e-04  3.4170000000e-04  9.1590000000e-04  3.8240000000e-03
-
-JOB 61
-COORDS -1.4020880000e+00  9.7150100000e-01 -1.1093270000e+00 -9.1913300000e-01  1.4740700000e-01 -1.0472440000e+00 -2.1225910000e+00  7.8271200000e-01 -1.7105480000e+00  1.3610940000e+00 -9.1053100000e-01  1.0997330000e+00  1.4241440000e+00 -7.0304100000e-01  2.0320440000e+00  2.2254480000e+00 -1.2522570000e+00  8.7093800000e-01
-ENERGY -1.526558991239e+02
-FORCES  8.7300000000e-05 -4.6760000000e-03 -1.2220000000e-03 -3.5207000000e-03  3.8722000000e-03 -2.0531000000e-03  2.8144000000e-03  7.5030000000e-04  2.3274000000e-03  4.1369000000e-03  8.9400000000e-05  3.8663000000e-03  1.6600000000e-04 -1.3129000000e-03 -3.7775000000e-03 -3.6839000000e-03  1.2770000000e-03  8.5890000000e-04
-
-JOB 62
-COORDS -7.3251000000e-02  1.2219360000e+00 -1.6961290000e+00  3.2791400000e-01  1.2227640000e+00 -8.2705000000e-01 -1.0107990000e+00  1.1279650000e+00 -1.5275890000e+00  6.5328000000e-02 -1.1655370000e+00  1.6588740000e+00  2.0967100000e-01 -2.0190250000e+00  2.0674760000e+00  6.0157100000e-01 -1.1851730000e+00  8.6622700000e-01
-ENERGY -1.526554389637e+02
-FORCES -3.1431000000e-03  6.7170000000e-04  4.6120000000e-03 -7.5840000000e-04 -1.1096000000e-03 -4.1608000000e-03  4.0040000000e-03  4.1790000000e-04 -1.2856000000e-03  2.8616000000e-03 -4.8589000000e-03 -1.0373000000e-03 -5.7540000000e-04  3.5113000000e-03 -1.7226000000e-03 -2.3888000000e-03  1.3676000000e-03  3.5944000000e-03
-
-JOB 63
-COORDS  5.9729100000e-01  6.8279000000e-01  1.9408230000e+00 -1.5358900000e-01  8.9633600000e-01  1.3869190000e+00  1.0342470000e+00 -3.7037000000e-02  1.4856860000e+00 -5.8884400000e-01 -7.1682900000e-01 -1.8841080000e+00 -1.5251700000e-01 -1.9542000000e-01 -2.5578910000e+00 -8.8257200000e-01 -7.5489000000e-02 -1.2370840000e+00
-ENERGY -1.526536145620e+02
-FORCES -8.6330000000e-04 -2.8476000000e-03 -3.5381000000e-03  2.7509000000e-03 -7.2040000000e-04  1.1730000000e-03 -1.9809000000e-03  3.7524000000e-03  2.1654000000e-03  1.1400000000e-05  4.7860000000e-03 -1.6980000000e-03 -1.8888000000e-03 -2.3254000000e-03  3.1476000000e-03  1.9707000000e-03 -2.6449000000e-03 -1.2499000000e-03
-
-JOB 64
-COORDS  2.8810700000e-01  7.6132500000e-01  1.8989610000e+00  1.1676350000e+00  1.0703800000e+00  1.6818270000e+00  3.5220100000e-01  4.7598600000e-01  2.8103910000e+00 -3.2596100000e-01 -7.4571400000e-01 -1.9969780000e+00 -2.9927800000e-01 -1.5984280000e+00 -1.5629280000e+00 -6.1909800000e-01 -1.3929700000e-01 -1.3168600000e+00
-ENERGY -1.526563516565e+02
-FORCES  4.2208000000e-03  5.5370000000e-04  3.7863000000e-03 -3.9008000000e-03 -1.4158000000e-03  9.4490000000e-04 -1.0330000000e-04  1.1590000000e-03 -3.8070000000e-03 -1.3505000000e-03 -6.5770000000e-04  5.6625000000e-03  8.6000000000e-06  2.8756000000e-03 -2.2492000000e-03  1.1252000000e-03 -2.5149000000e-03 -4.3375000000e-03
-
-JOB 65
-COORDS -4.6826400000e-01  1.8451290000e+00 -1.0287150000e+00  3.2202000000e-01  2.0853210000e+00 -5.4499100000e-01 -2.4187100000e-01  1.9930430000e+00 -1.9469200000e+00  3.7393300000e-01 -1.8125800000e+00  1.0631440000e+00  3.6533700000e-01 -2.3606460000e+00  2.7842600000e-01  9.8861500000e-01 -2.2483400000e+00  1.6534930000e+00
-ENERGY -1.526536466471e+02
-FORCES  4.4074000000e-03  1.0777000000e-03 -8.5860000000e-04 -3.1751000000e-03 -1.8990000000e-04 -2.4734000000e-03 -9.8590000000e-04 -7.7720000000e-04  3.5982000000e-03  1.7938000000e-03 -4.1116000000e-03 -1.2484000000e-03  3.8830000000e-04  1.9283000000e-03  3.4074000000e-03 -2.4284000000e-03  2.0727000000e-03 -2.4252000000e-03
-
-JOB 66
-COORDS  1.2214520000e+00 -1.6812130000e+00 -1.0154710000e+00  1.0203400000e+00 -1.5798640000e+00 -8.5140000000e-02  3.8032100000e-01 -1.5638370000e+00 -1.4570060000e+00 -1.1641990000e+00  1.6918740000e+00  9.2438700000e-01 -6.0207000000e-01  9.8823300000e-01  1.2486290000e+00 -1.6647360000e+00  1.9716460000e+00  1.6908220000e+00
-ENERGY -1.526536169749e+02
-FORCES -4.4278000000e-03  9.1690000000e-04  1.2524000000e-03  7.0380000000e-04  1.0700000000e-04 -3.2307000000e-03  3.7289000000e-03 -8.6660000000e-04  2.0889000000e-03  3.0890000000e-04 -8.1410000000e-04  4.8653000000e-03 -2.4527000000e-03  1.9407000000e-03 -1.6976000000e-03  2.1388000000e-03 -1.2840000000e-03 -3.2784000000e-03
-
-JOB 67
-COORDS -3.4777300000e-01  2.1954450000e+00 -6.2217200000e-01  2.3070500000e-01  1.5106610000e+00 -9.5783000000e-01 -1.0119800000e+00  2.3034770000e+00 -1.3029000000e+00  3.9784000000e-01 -2.1389310000e+00  7.0799600000e-01 -5.2552300000e-01 -2.0241740000e+00  9.3263500000e-01  3.8893600000e-01 -2.7128390000e+00 -5.8022000000e-02
-ENERGY -1.526545914186e+02
-FORCES  3.6150000000e-04 -2.5720000000e-03 -3.8424000000e-03 -2.8231000000e-03  3.4251000000e-03  7.1820000000e-04  2.5303000000e-03 -6.0300000000e-04  2.8037000000e-03 -4.0895000000e-03 -2.2296000000e-03 -1.2742000000e-03  3.9307000000e-03 -7.9360000000e-04 -1.2793000000e-03  9.0200000000e-05  2.7731000000e-03  2.8739000000e-03
-
-JOB 68
-COORDS  2.9326900000e-01 -1.6217930000e+00 -1.8021100000e+00  1.0501210000e+00 -1.3928870000e+00 -1.2626580000e+00 -4.2113300000e-01 -1.0900210000e+00 -1.4512830000e+00 -2.8316100000e-01  1.5248560000e+00  1.7057430000e+00 -7.4328200000e-01  2.3373960000e+00  1.4952650000e+00 -6.6054000000e-02  1.6056640000e+00  2.6344870000e+00
-ENERGY -1.526556602798e+02
-FORCES  9.3600000000e-05  3.6501000000e-03  4.4864000000e-03 -2.5763000000e-03 -1.4370000000e-03 -2.6594000000e-03  2.5174000000e-03 -2.5234000000e-03 -2.2859000000e-03 -1.0153000000e-03  4.0181000000e-03  3.5423000000e-03  1.8742000000e-03 -3.4835000000e-03  7.9590000000e-04 -8.9360000000e-04 -2.2430000000e-04 -3.8793000000e-03
-
-JOB 69
-COORDS -5.1012300000e-01 -2.4211840000e+00 -2.5671400000e-01  3.9148500000e-01 -2.2668740000e+00  2.5287000000e-02 -9.2655100000e-01 -1.5605350000e+00 -2.1085400000e-01  4.3967500000e-01  2.3033540000e+00  2.3459500000e-01  1.3722990000e+00  2.3428400000e+00  2.2735000000e-02  2.1282300000e-01  3.1983570000e+00  4.8706200000e-01
-ENERGY -1.526554081871e+02
-FORCES  1.8598000000e-03  4.9822000000e-03  1.4806000000e-03 -3.2753000000e-03 -1.1055000000e-03 -1.2039000000e-03  1.3704000000e-03 -4.3544000000e-03 -3.3660000000e-04  2.8318000000e-03  4.5888000000e-03  1.6780000000e-04 -3.8610000000e-03 -4.3720000000e-04  9.6120000000e-04  1.0743000000e-03 -3.6739000000e-03 -1.0691000000e-03
-
-JOB 70
-COORDS  7.8025200000e-01  6.6326000000e-01 -2.3116540000e+00  9.0182700000e-01  1.6127070000e+00 -2.3102590000e+00  6.4646000000e-01  4.3979800000e-01 -3.2327380000e+00 -7.8261600000e-01 -6.8573600000e-01  2.2955980000e+00 -1.4843000000e-02 -1.0268600000e+00  2.7542800000e+00 -1.4607920000e+00 -6.3316300000e-01  2.9690550000e+00
-ENERGY -1.526533037728e+02
-FORCES -4.4630000000e-04  2.9933000000e-03 -3.3582000000e-03 -3.1210000000e-04 -3.8435000000e-03 -1.9540000000e-04  6.2240000000e-04  8.7500000000e-04  3.7198000000e-03  6.8210000000e-04 -1.2770000000e-03  4.2626000000e-03 -3.2523000000e-03  1.4021000000e-03 -1.6306000000e-03  2.7063000000e-03 -1.4990000000e-04 -2.7982000000e-03
-
-JOB 71
-COORDS -1.3342370000e+00 -1.0701890000e+00  1.9200260000e+00 -1.7002540000e+00 -8.4341000000e-01  1.0651370000e+00 -2.0986030000e+00 -1.2296310000e+00  2.4736990000e+00  1.3687440000e+00  1.1166790000e+00 -1.9207960000e+00  2.3195460000e+00  1.0980930000e+00 -1.8118800000e+00  1.0813320000e+00  2.3855600000e-01 -1.6707430000e+00
-ENERGY -1.526543663420e+02
-FORCES -4.9450000000e-03  6.4200000000e-04 -8.8430000000e-04  1.8575000000e-03 -1.3039000000e-03  3.2500000000e-03  3.1249000000e-03  5.8890000000e-04 -2.2753000000e-03  3.0985000000e-03 -3.6667000000e-03  1.9115000000e-03 -3.8274000000e-03  1.2590000000e-04 -6.7760000000e-04  6.9150000000e-04  3.6138000000e-03 -1.3243000000e-03
-
-JOB 72
-COORDS -8.0998600000e-01 -1.6548960000e+00  1.8898300000e+00 -6.6177500000e-01 -2.5946760000e+00  1.7845730000e+00 -1.7362570000e+00 -1.5331960000e+00  1.6814020000e+00  8.7848000000e-01  1.6705740000e+00 -1.8145970000e+00  3.5884900000e-01  1.2501490000e+00 -2.4997680000e+00  9.5295400000e-01  2.5826110000e+00 -2.0954420000e+00
-ENERGY -1.526533498810e+02
-FORCES -2.9504000000e-03 -3.0379000000e-03 -1.4869000000e-03 -6.6140000000e-04  3.7868000000e-03  4.5630000000e-04  3.6627000000e-03 -6.2460000000e-04  8.9650000000e-04 -1.8207000000e-03  1.8635000000e-03 -3.6865000000e-03  2.0771000000e-03  1.7463000000e-03  2.6769000000e-03 -3.0740000000e-04 -3.7341000000e-03  1.1437000000e-03
-
-JOB 73
-COORDS  3.7895100000e-01  2.7304900000e+00  1.3294600000e-01  1.6319200000e-01  2.8732890000e+00 -7.8862200000e-01  8.9868900000e-01  1.9266890000e+00  1.3598000000e-01 -3.8538500000e-01 -2.6316040000e+00 -1.1657600000e-01 -1.1794550000e+00 -2.8819290000e+00  3.5567600000e-01  2.2502800000e-01 -3.3517360000e+00  4.1660000000e-02
-ENERGY -1.526548309395e+02
-FORCES  1.0280000000e-03 -3.3736000000e-03 -3.8111000000e-03  8.9700000000e-04 -2.4150000000e-04  3.6660000000e-03 -1.7531000000e-03  3.8374000000e-03  1.0190000000e-04 -1.0931000000e-03 -4.1591000000e-03  2.7112000000e-03  3.3398000000e-03  8.9310000000e-04 -1.9974000000e-03 -2.4187000000e-03  3.0438000000e-03 -6.7060000000e-04
-
-JOB 74
-COORDS -6.2672600000e-01  2.6201280000e+00 -2.7083800000e-01 -1.5420520000e+00  2.4317720000e+00 -4.7803600000e-01 -4.5391200000e-01  3.4624750000e+00 -6.9133600000e-01  6.5093900000e-01 -2.7226580000e+00  3.2917900000e-01  5.4381700000e-01 -1.9046810000e+00  8.1463900000e-01  1.0908080000e+00 -2.4650560000e+00 -4.8099800000e-01
-ENERGY -1.526549866636e+02
-FORCES -3.2004000000e-03  3.1046000000e-03 -2.5634000000e-03  3.8843000000e-03  6.7580000000e-04  8.5270000000e-04 -7.3610000000e-04 -3.4933000000e-03  1.6827000000e-03  1.4280000000e-03  4.8829000000e-03 -1.2717000000e-03  3.6090000000e-04 -3.8036000000e-03 -1.8290000000e-03 -1.7367000000e-03 -1.3664000000e-03  3.1287000000e-03
-
-JOB 75
-COORDS  4.2795000000e-01 -1.4748230000e+00  2.3718220000e+00  7.6480100000e-01 -7.8588600000e-01  1.7989960000e+00 -4.6605800000e-01 -1.6261650000e+00  2.0651020000e+00 -3.8097900000e-01  1.4409360000e+00 -2.3840710000e+00 -1.0173700000e+00  9.0713700000e-01 -1.9083630000e+00 -8.6277000000e-02  2.0896010000e+00 -1.7448400000e+00
-ENERGY -1.526535393877e+02
-FORCES -1.9683000000e-03  1.8068000000e-03 -3.5297000000e-03 -1.7516000000e-03 -2.5864000000e-03  2.3737000000e-03  3.6162000000e-03  9.1080000000e-04  1.1264000000e-03 -1.6475000000e-03  9.2700000000e-04  3.9595000000e-03  2.9122000000e-03  2.0065000000e-03 -1.5395000000e-03 -1.1611000000e-03 -3.0647000000e-03 -2.3905000000e-03
-
-JOB 76
-COORDS  2.2658700000e-01  2.1360930000e+00 -1.6889930000e+00  8.1237600000e-01  2.4030050000e+00 -2.3974010000e+00 -4.0747000000e-01  2.8498560000e+00 -1.6201010000e+00 -2.8693100000e-01 -2.1948940000e+00  1.6900060000e+00 -6.3119000000e-02 -2.5737240000e+00  2.5400820000e+00  5.1603000000e-01 -1.7608040000e+00  1.4018190000e+00
-ENERGY -1.526542520861e+02
-FORCES -6.1940000000e-04  4.0028000000e-03 -2.6870000000e-03 -2.2879000000e-03 -1.1232000000e-03  2.9692000000e-03  2.7480000000e-03 -2.7970000000e-03 -3.4610000000e-04  4.2459000000e-03  7.1660000000e-04  1.8576000000e-03 -9.4940000000e-04  1.4813000000e-03 -3.3838000000e-03 -3.1371000000e-03 -2.2805000000e-03  1.5902000000e-03
-
-JOB 77
-COORDS -1.8453300000e-01  2.5978570000e+00 -1.1806280000e+00  6.3924900000e-01  3.0692200000e+00 -1.0564030000e+00 -7.3781900000e-01  3.2064900000e+00 -1.6701910000e+00  1.4756600000e-01 -2.7111390000e+00  1.1642390000e+00 -3.9418200000e-01 -2.1017960000e+00  1.6656800000e+00  1.0442440000e+00 -2.4077510000e+00  1.3062130000e+00
-ENERGY -1.526541782199e+02
-FORCES  1.0042000000e-03  4.3920000000e-03 -1.8356000000e-03 -3.3383000000e-03 -1.9876000000e-03 -3.4430000000e-04  2.2971000000e-03 -2.4297000000e-03  2.0748000000e-03  1.2824000000e-03  4.2877000000e-03  2.1973000000e-03  2.2120000000e-03 -2.8044000000e-03 -1.6952000000e-03 -3.4575000000e-03 -1.4581000000e-03 -3.9690000000e-04
-
-JOB 78
-COORDS  4.5651400000e-01 -1.8169070000e+00  2.4740370000e+00 -4.9810300000e-01 -1.8257780000e+00  2.4043380000e+00  7.6380300000e-01 -1.8899200000e+00  1.5704470000e+00 -3.9998300000e-01  1.8729110000e+00 -2.4462520000e+00 -1.2906590000e+00  1.7009620000e+00 -2.1407020000e+00  9.2395000000e-02  1.0885670000e+00 -2.2041770000e+00
-ENERGY -1.526535304777e+02
-FORCES -2.5473000000e-03 -5.2360000000e-04 -3.6336000000e-03  3.9533000000e-03  1.3740000000e-04  6.4500000000e-05 -1.4171000000e-03  4.9660000000e-04  3.4803000000e-03 -1.5949000000e-03 -3.6116000000e-03  2.1683000000e-03  3.7095000000e-03  5.1980000000e-04 -1.2052000000e-03 -2.1035000000e-03  2.9814000000e-03 -8.7430000000e-04
-
-JOB 79
-COORDS -8.2502500000e-01  2.5673530000e+00 -1.5715590000e+00 -1.1184010000e+00  2.0012420000e+00 -2.2854780000e+00 -7.3807600000e-01  3.4325840000e+00 -1.9716180000e+00  8.5379900000e-01 -2.5932040000e+00  1.6997860000e+00  5.2943800000e-01 -1.7831910000e+00  1.3062110000e+00  8.7059300000e-01 -3.2210460000e+00  9.7745400000e-01
-ENERGY -1.526543902567e+02
-FORCES -9.0560000000e-04  1.6619000000e-03 -4.6061000000e-03  1.2917000000e-03  2.0772000000e-03  3.0424000000e-03 -3.8230000000e-04 -3.6038000000e-03  1.5775000000e-03 -1.2594000000e-03  1.1040000000e-03 -4.5048000000e-03  1.3337000000e-03 -3.6864000000e-03  1.6027000000e-03 -7.8000000000e-05  2.4470000000e-03  2.8882000000e-03
-
-JOB 80
-COORDS  1.1607730000e+00  2.4388640000e+00 -2.0301660000e+00  1.2535600000e+00  3.3478460000e+00 -2.3154250000e+00  1.2581250000e+00  1.9246850000e+00 -2.8316490000e+00 -1.1739120000e+00 -2.4157990000e+00  2.1382780000e+00 -4.7756400000e-01 -3.0411600000e+00  1.9376400000e+00 -1.8207060000e+00 -2.5461930000e+00  1.4448180000e+00
-ENERGY -1.526538292814e+02
-FORCES  7.7850000000e-04  1.6982000000e-03 -4.3205000000e-03 -3.7570000000e-04 -3.7340000000e-03  1.1288000000e-03 -4.2080000000e-04  2.0218000000e-03  3.2596000000e-03  3.4560000000e-04 -2.7627000000e-03 -3.8050000000e-03 -2.8814000000e-03  2.4084000000e-03  8.6570000000e-04  2.5538000000e-03  3.6830000000e-04  2.8714000000e-03
-
-JOB 81
-COORDS -1.2264260000e+00  3.2844140000e+00  1.1906330000e+00 -2.1807840000e+00  3.3579920000e+00  1.1949080000e+00 -1.0282450000e+00  2.6908030000e+00  1.9149130000e+00  1.2966630000e+00 -3.3187400000e+00 -1.2264160000e+00  1.5830090000e+00 -2.5541590000e+00 -1.7260690000e+00  5.1694800000e-01 -3.0209400000e+00 -7.5781100000e-01
-ENERGY -1.526541938587e+02
-FORCES -3.1381000000e-03 -1.8293000000e-03  3.1518000000e-03  3.9358000000e-03 -4.0540000000e-04 -6.6600000000e-05 -7.9770000000e-04  2.2780000000e-03 -3.1028000000e-03 -1.9714000000e-03  4.4416000000e-03 -2.3550000000e-04 -1.1630000000e-03 -3.2071000000e-03  2.0574000000e-03  3.1345000000e-03 -1.2778000000e-03 -1.8043000000e-03
-
-JOB 82
-COORDS -1.9084550000e+00  8.3988200000e-01  3.5023070000e+00 -1.4763280000e+00  1.2326400000e-01  3.0375940000e+00 -1.4623330000e+00  1.6289250000e+00  3.1947060000e+00  1.8316820000e+00 -7.8720100000e-01 -3.4501040000e+00  2.5050870000e+00 -9.7611900000e-01 -4.1036070000e+00  1.6948850000e+00 -1.6201510000e+00 -2.9987590000e+00
-ENERGY -1.526542014304e+02
-FORCES  3.5890000000e-03  3.8210000000e-04 -3.2877000000e-03 -1.7640000000e-03  2.8205000000e-03  1.9665000000e-03 -1.8275000000e-03 -3.2215000000e-03  1.3499000000e-03  2.2212000000e-03 -4.2027000000e-03 -1.0363000000e-03 -2.7508000000e-03  7.6520000000e-04  2.7104000000e-03  5.3210000000e-04  3.4564000000e-03 -1.7028000000e-03
-
-JOB 83
-COORDS -3.6246800000e-01  3.8880830000e+00  1.1240300000e+00  3.4937600000e-01  3.3028160000e+00  1.3828210000e+00 -2.8495300000e-01  4.6364940000e+00  1.7157250000e+00  2.9179700000e-01 -3.9540700000e+00 -1.1588940000e+00  8.7647600000e-01 -3.3780300000e+00 -6.6639000000e-01  8.1395000000e-02 -3.4611950000e+00 -1.9520120000e+00
-ENERGY -1.526540670263e+02
-FORCES  3.1415000000e-03  7.9030000000e-04  3.5755000000e-03 -2.8711000000e-03  2.2844000000e-03 -1.1524000000e-03 -2.8780000000e-04 -3.0796000000e-03 -2.4353000000e-03  1.4114000000e-03  4.4101000000e-03 -1.2781000000e-03 -2.3162000000e-03 -2.3504000000e-03 -1.9529000000e-03  9.2230000000e-04 -2.0548000000e-03  3.2431000000e-03
-
-JOB 84
-COORDS -7.2747000000e-02 -4.2475110000e+00 -1.5775190000e+00 -1.8830300000e-01 -4.5563740000e+00 -6.7891800000e-01  1.9394000000e-01 -3.3329300000e+00 -1.4845050000e+00  1.1607400000e-01  4.2373630000e+00  1.5517150000e+00 -9.1408000000e-02  4.2697420000e+00  6.1783400000e-01 -6.1818700000e-01  3.7652990000e+00  1.9444600000e+00
-ENERGY -1.526540515977e+02
-FORCES  7.2590000000e-04  2.3999000000e-03  4.0595000000e-03  4.2470000000e-04  1.2926000000e-03 -3.6757000000e-03 -1.1721000000e-03 -3.6882000000e-03 -3.9210000000e-04 -3.8937000000e-03 -1.6037000000e-03 -2.1926000000e-03  8.7170000000e-04 -2.3010000000e-04  3.8261000000e-03  3.0435000000e-03  1.8294000000e-03 -1.6251000000e-03
-
-JOB 85
-COORDS  1.4678710000e+00 -3.6868050000e+00  2.3781770000e+00  5.4744700000e-01 -3.9071070000e+00  2.5214220000e+00  1.9074560000e+00 -4.5332430000e+00  2.2973120000e+00 -1.4492500000e+00  3.8118210000e+00 -2.3640100000e+00 -1.8349290000e+00  3.3602390000e+00 -3.1147140000e+00 -8.8760600000e-01  3.1554600000e+00 -1.9517270000e+00
-ENERGY -1.526541724017e+02
-FORCES -1.9212000000e-03 -4.4053000000e-03  3.7150000000e-04  3.7460000000e-03  9.3010000000e-04 -6.5020000000e-04 -1.8104000000e-03  3.4661000000e-03  2.9500000000e-04  8.0040000000e-04 -4.5499000000e-03 -1.3217000000e-03  1.5329000000e-03  1.8509000000e-03  3.0361000000e-03 -2.3477000000e-03  2.7081000000e-03 -1.7306000000e-03
-
-JOB 86
-COORDS -4.8476200000e-01  2.7410340000e+00 -3.8186110000e+00 -2.6377800000e-01  2.5563240000e+00 -4.7314520000e+00 -1.4370700000e+00  2.8376740000e+00 -3.8170550000e+00  5.4371500000e-01 -2.7751650000e+00  3.9171780000e+00 -2.8298700000e-01 -2.2977880000e+00  3.8471320000e+00  1.0170650000e+00 -2.5543360000e+00  3.1150520000e+00
-ENERGY -1.526542077293e+02
-FORCES -2.9681000000e-03 -2.6610000000e-04 -3.8124000000e-03 -9.1060000000e-04  7.2560000000e-04  3.7507000000e-03  3.8861000000e-03 -4.4090000000e-04  4.5600000000e-05 -1.4011000000e-03  2.9316000000e-03 -3.6082000000e-03  3.3269000000e-03 -1.9858000000e-03  3.2350000000e-04 -1.9333000000e-03 -9.6440000000e-04  3.3009000000e-03
-
-JOB 87
-COORDS -1.3558350000e+00  1.1663370000e+00  4.8668330000e+00 -1.5857180000e+00  1.5618040000e+00  5.7076610000e+00 -4.7313300000e-01  1.4880660000e+00  4.6836440000e+00  1.2845060000e+00 -1.2611360000e+00 -4.9017860000e+00  9.7122800000e-01 -3.8441400000e-01 -5.1241550000e+00  2.2108860000e+00 -1.1393940000e+00 -4.6938660000e+00
-ENERGY -1.526540045004e+02
-FORCES  2.6530000000e-03  2.8838000000e-03  2.6861000000e-03  9.4310000000e-04 -1.6021000000e-03 -3.4368000000e-03 -3.5942000000e-03 -1.2875000000e-03  7.4080000000e-04  2.4491000000e-03  4.0683000000e-03 -1.4900000000e-05  1.3084000000e-03 -3.5714000000e-03  8.8360000000e-04 -3.7594000000e-03 -4.9110000000e-04 -8.5890000000e-04
-
-JOB 88
-COORDS  3.5521100000e-01  4.6683960000e+00 -2.4916450000e+00 -3.7755400000e-01  4.3240850000e+00 -1.9810220000e+00  3.8887000000e-02  4.6689750000e+00 -3.3950660000e+00 -2.9343100000e-01 -4.5969160000e+00  2.5522980000e+00  4.3437100000e-01 -5.1187120000e+00  2.2142670000e+00 -1.0745790000e+00 -5.0024900000e+00  2.1760680000e+00
-ENERGY -1.526540705101e+02
-FORCES -4.2781000000e-03 -1.4355000000e-03 -1.5369000000e-03  2.9763000000e-03  1.4333000000e-03 -2.1285000000e-03  1.2942000000e-03  2.0000000000e-06  3.6636000000e-03 -1.6460000000e-04 -3.7971000000e-03 -2.8939000000e-03 -2.9943000000e-03  2.1214000000e-03  1.3731000000e-03  3.1665000000e-03  1.6759000000e-03  1.5226000000e-03
-
-JOB 89
-COORDS  2.3223000000e-02 -4.8834680000e+00 -3.7304080000e+00 -8.2330500000e-01 -4.6096660000e+00 -4.0834740000e+00  5.7465700000e-01 -4.1039400000e+00 -3.7973990000e+00 -8.7220000000e-03  4.8158470000e+00  3.6844440000e+00 -6.3458000000e-01  4.5055740000e+00  4.3388630000e+00  6.3994200000e-01  5.3083930000e+00  4.1873010000e+00
-ENERGY -1.526541314927e+02
-FORCES -1.2009000000e-03  4.3428000000e-03 -1.6851000000e-03  3.4430000000e-03 -1.1414000000e-03  1.4260000000e-03 -2.2424000000e-03 -3.2054000000e-03  2.5240000000e-04  9.8300000000e-05  7.4160000000e-04  4.7469000000e-03  2.5480000000e-03  1.2686000000e-03 -2.6805000000e-03 -2.6460000000e-03 -2.0061000000e-03 -2.0598000000e-03
-
-JOB 0
-COORDS -2.1866500000e-01 -1.0325740000e+00  5.4475000000e-01  4.3436200000e-01 -1.4359840000e+00  1.1166300000e+00 -1.0174470000e+00 -1.0092280000e+00  1.0716590000e+00  2.0988200000e-01  1.1080110000e+00 -5.7213600000e-01  6.2563600000e-01  1.1589160000e+00 -1.4328270000e+00  1.1310400000e-01  1.7006100000e-01 -4.0746300000e-01
-ENERGY -1.526539977243e+02
-FORCES  4.0355000000e-03  2.2401200000e-02 -8.0975000000e-03 -4.3745000000e-03  1.5662000000e-03 -1.9550000000e-03  5.0566000000e-03 -1.7703000000e-03 -1.1223000000e-03 -5.0795000000e-03 -2.2109500000e-02  1.2440400000e-02 -8.6240000000e-04 -4.5668000000e-03  3.5994000000e-03  1.2244000000e-03  4.4793000000e-03 -4.8649000000e-03
-
-JOB 1
-COORDS  1.6450700000e-01  1.6624800000e-01  1.2397290000e+00 -2.4029600000e-01  6.2173100000e-01  1.9779030000e+00  5.2823200000e-01 -6.3282900000e-01  1.6210580000e+00 -2.2200600000e-01 -1.6824900000e-01 -1.3295140000e+00  1.4116000000e-02 -8.3332000000e-02 -4.0578900000e-01  5.6319300000e-01  1.0478400000e-01 -1.8040100000e+00
-ENERGY -1.526582570512e+02
-FORCES -4.7018000000e-03  2.7960000000e-04 -8.0316000000e-03  3.4074000000e-03 -3.8187000000e-03 -1.5584000000e-03 -2.1821000000e-03  4.6062000000e-03 -2.7285000000e-03  2.6439000000e-03  4.4778000000e-03  1.6029600000e-02  2.3505000000e-03 -4.8024000000e-03 -6.6944000000e-03 -1.5179000000e-03 -7.4250000000e-04  2.9833000000e-03
-
-JOB 2
-COORDS  3.5758100000e-01  9.3723600000e-01 -9.3002900000e-01  8.9640000000e-03  4.8079000000e-01 -1.6957670000e+00  1.5640000000e-01  3.5933500000e-01 -1.9396600000e-01 -2.9598400000e-01 -8.2185900000e-01  9.0082300000e-01  1.6118200000e-01 -1.6252050000e+00  1.1495530000e+00 -1.2065010000e+00 -9.7610400000e-01  1.1526180000e+00
-ENERGY -1.526585821339e+02
-FORCES -5.1548000000e-03 -1.4170000000e-02  1.1246600000e-02  4.9480000000e-04  8.4080000000e-04  1.9328000000e-03  1.3341000000e-03  5.4298000000e-03 -3.9931000000e-03  2.4657000000e-03  5.6943000000e-03 -7.2252000000e-03 -4.2643000000e-03  3.1757000000e-03 -7.2910000000e-04  5.1245000000e-03 -9.7060000000e-04 -1.2321000000e-03
-
-JOB 3
-COORDS  8.8654400000e-01  7.5579000000e-01  7.0664800000e-01  3.3254300000e-01  1.9447700000e-01  1.6420700000e-01  1.6628540000e+00  2.2536500000e-01  8.8615900000e-01 -8.9097700000e-01 -6.7398000000e-01 -6.1518900000e-01 -6.2926600000e-01 -1.4804130000e+00 -1.0594910000e+00 -1.2485320000e+00 -1.2199000000e-01 -1.3106700000e+00
-ENERGY -1.526586130021e+02
-FORCES -1.1669000000e-02 -1.1792900000e-02 -8.3740000000e-03  7.3923000000e-03  6.3672000000e-03  3.0013000000e-03 -3.0470000000e-03 -6.1400000000e-05 -1.6246000000e-03  4.8077000000e-03  3.9888000000e-03  1.0093000000e-03 -6.6160000000e-04  5.0836000000e-03  2.1795000000e-03  3.1776000000e-03 -3.5853000000e-03  3.8084000000e-03
-
-JOB 4
-COORDS -1.2168300000e-01 -7.5597700000e-01 -1.0823440000e+00  7.3186000000e-01 -1.1800300000e+00 -9.9359700000e-01  1.8300000000e-03 -1.1149400000e-01 -1.7792070000e+00  1.1198200000e-01  7.2716200000e-01  1.1702020000e+00 -5.6596100000e-01  1.4029020000e+00  1.1697730000e+00 -2.6593000000e-02  2.4766900000e-01  3.5343000000e-01
-ENERGY -1.526595771286e+02
-FORCES  4.3125000000e-03  1.7484000000e-03  1.0247000000e-03 -5.0959000000e-03  4.2757000000e-03  4.5480000000e-04 -6.1330000000e-04 -2.3093000000e-03  5.8286000000e-03 -4.8510000000e-03 -8.6115000000e-03 -1.3215500000e-02  1.8605000000e-03 -2.1738000000e-03 -1.7709000000e-03  4.3872000000e-03  7.0705000000e-03  7.6784000000e-03
-
-JOB 5
-COORDS  2.3900600000e-01  5.2776200000e-01 -1.1574390000e+00  8.9377000000e-02 -2.3553000000e-02 -1.9254850000e+00  1.0321750000e+00  1.0209590000e+00 -1.3668960000e+00 -3.3214500000e-01 -5.3660000000e-01  1.2457960000e+00  5.1222700000e-01 -4.9005300000e-01  1.6942390000e+00 -1.3044400000e-01 -3.3263600000e-01  3.3258900000e-01
-ENERGY -1.526586887633e+02
-FORCES  1.5481000000e-03 -7.5190000000e-04  4.0418000000e-03  1.4046000000e-03  2.4782000000e-03  5.1616000000e-03 -3.9707000000e-03 -3.0683000000e-03 -1.4340000000e-04  5.9652000000e-03  7.2404000000e-03 -1.3317800000e-02 -1.8921000000e-03  3.6200000000e-04 -1.5657000000e-03 -3.0552000000e-03 -6.2604000000e-03  5.8235000000e-03
-
-JOB 6
-COORDS  1.0104650000e+00  8.0753100000e-01 -2.8236400000e-01  1.2676400000e+00  5.3812100000e-01 -1.1641300000e+00  7.2878600000e-01  1.7169220000e+00 -3.8185100000e-01 -1.0737640000e+00 -8.1617700000e-01  3.3962700000e-01 -7.8145300000e-01 -1.7187260000e+00  4.6687400000e-01 -2.6858600000e-01 -3.2307000000e-01  1.8225700000e-01
-ENERGY -1.526606403713e+02
-FORCES -5.1684000000e-03  6.1490000000e-04 -2.2040000000e-03 -2.2205000000e-03  8.5880000000e-04  5.0467000000e-03  2.0642000000e-03 -4.8703000000e-03 -5.4340000000e-04  1.2499100000e-02  7.9261000000e-03 -1.6379000000e-03  7.9620000000e-04  3.2892000000e-03 -1.3875000000e-03 -7.9707000000e-03 -7.8187000000e-03  7.2600000000e-04
-
-JOB 7
-COORDS -4.2984800000e-01  5.8002800000e-01 -1.2347640000e+00 -2.5204700000e-01  1.3522240000e+00 -6.9779900000e-01 -3.2854500000e-01 -1.5840400000e-01 -6.3419100000e-01  3.5236000000e-01 -5.8045900000e-01  1.1580460000e+00  9.1880800000e-01  1.6700600000e-01  1.3495270000e+00  9.4746100000e-01 -1.3292650000e+00  1.1209480000e+00
-ENERGY -1.526573867259e+02
-FORCES  2.8358000000e-03 -4.5784000000e-03  1.4352300000e-02  7.0420000000e-04 -8.2320000000e-04 -1.5764000000e-03 -1.1808000000e-03  1.1075000000e-03 -7.9853000000e-03  4.3725000000e-03  3.1423000000e-03 -1.9040000000e-03 -3.4057000000e-03 -3.0325000000e-03 -1.7631000000e-03 -3.3259000000e-03  4.1844000000e-03 -1.1235000000e-03
-
-JOB 8
-COORDS  4.2864300000e-01  9.6866700000e-01  8.9363400000e-01  4.6710000000e-03  1.2207500000e-01  7.5306600000e-01 -9.1115000000e-02  1.3862670000e+00  1.5804340000e+00 -3.6791800000e-01 -9.4942700000e-01 -8.5554700000e-01  2.2864200000e-01 -1.2169180000e+00 -1.5546870000e+00 -1.1032560000e+00 -5.3967700000e-01 -1.3111950000e+00
-ENERGY -1.526581248057e+02
-FORCES -3.0093000000e-03 -8.4299000000e-03 -5.0047000000e-03  3.3900000000e-04  6.2231000000e-03  6.8547000000e-03  1.8190000000e-04 -2.7026000000e-03 -3.8244000000e-03  3.3477000000e-03  6.5266000000e-03 -2.0911000000e-03 -3.7148000000e-03  8.5320000000e-04  1.8763000000e-03  2.8555000000e-03 -2.4704000000e-03  2.1891000000e-03
-
-JOB 9
-COORDS  7.7236200000e-01  4.4842000000e-02  1.0515620000e+00  6.8161000000e-01 -2.7168800000e-01  1.9503420000e+00  1.7174980000e+00  8.4202000000e-02  9.0527100000e-01 -8.5331800000e-01 -8.0044000000e-02 -1.1237150000e+00 -1.8519600000e-01 -8.6389000000e-02 -4.3829200000e-01 -9.7878800000e-01  8.4665200000e-01 -1.3279770000e+00
-ENERGY -1.526601685631e+02
-FORCES -3.2438000000e-03 -2.2955000000e-03 -9.3750000000e-04  2.7417000000e-03  2.1357000000e-03 -3.8006000000e-03 -5.2997000000e-03 -3.2800000000e-04  7.4840000000e-04  7.3714000000e-03  2.8343000000e-03  1.1873000000e-02 -2.4622000000e-03  5.6000000000e-05 -8.5797000000e-03  8.9260000000e-04 -2.4025000000e-03  6.9630000000e-04
-
-JOB 10
-COORDS  4.9151900000e-01 -1.1661130000e+00 -5.0804100000e-01  5.6110500000e-01 -1.0552620000e+00 -1.4562510000e+00  1.3051060000e+00 -7.9827800000e-01 -1.6307000000e-01 -6.0500100000e-01  1.1688430000e+00  5.4299300000e-01 -3.1897500000e-01  4.4444900000e-01 -1.3491000000e-02  1.7799700000e-01  1.4179100000e+00  1.0340230000e+00
-ENERGY -1.526564867947e+02
-FORCES  3.7119000000e-03  7.1690000000e-04 -5.1170000000e-04 -1.3825000000e-03  1.7373000000e-03  6.3498000000e-03 -6.8251000000e-03  1.6471000000e-03 -1.3230000000e-03  5.6090000000e-03 -1.2226800000e-02 -3.5793000000e-03  2.2280000000e-04  1.0020600000e-02  1.3739000000e-03 -1.3361000000e-03 -1.8950000000e-03 -2.3098000000e-03
-
-JOB 11
-COORDS -1.1287210000e+00  2.8052700000e-01  6.4652800000e-01 -1.3308110000e+00 -6.9334000000e-02 -2.2122100000e-01 -1.9716240000e+00  5.8082000000e-01  9.8648500000e-01  1.2220480000e+00 -3.3080000000e-01 -6.3602800000e-01  1.3339510000e+00  5.4665300000e-01 -1.0017950000e+00  6.2075700000e-01 -2.0959600000e-01  9.8812000000e-02
-ENERGY -1.526591882715e+02
-FORCES -1.3200000000e-04 -1.0192000000e-03 -2.0675000000e-03  2.3657000000e-03  2.3929000000e-03  5.8386000000e-03  2.8867000000e-03 -1.4539000000e-03 -3.7749000000e-03 -5.0066000000e-03  6.5694000000e-03  6.9671000000e-03 -7.4910000000e-04 -3.1456000000e-03  5.4500000000e-05  6.3540000000e-04 -3.3436000000e-03 -7.0180000000e-03
-
-JOB 12
-COORDS -1.0803910000e+00 -7.1365100000e-01  5.2089400000e-01 -5.6166400000e-01 -2.8584700000e-01 -1.6038300000e-01 -1.3121810000e+00 -1.5640360000e+00  1.4759800000e-01  1.0332370000e+00  7.3876000000e-01 -3.9560500000e-01  1.0217510000e+00  1.4287450000e+00 -1.0589460000e+00  1.5661180000e+00  4.3591000000e-02 -7.8162300000e-01
-ENERGY -1.526571118186e+02
-FORCES  7.9886000000e-03  6.4041000000e-03 -4.7183000000e-03 -7.0447000000e-03 -7.5134000000e-03  1.9540000000e-04  3.0271000000e-03  3.5316000000e-03  6.2900000000e-05  2.5007000000e-03 -6.9130000000e-04  5.2000000000e-05 -9.6470000000e-04 -4.7123000000e-03  3.2865000000e-03 -5.5070000000e-03  2.9814000000e-03  1.1215000000e-03
-
-JOB 13
-COORDS  5.2682600000e-01  1.0380390000e+00 -8.2871500000e-01  1.9013900000e-01  1.6922440000e+00 -2.1643200000e-01  1.9707000000e-01  2.0404600000e-01 -4.9412700000e-01 -5.1488400000e-01 -9.6491800000e-01  7.9472900000e-01  1.8047100000e-01 -1.4536190000e+00  1.2350520000e+00 -7.9981300000e-01 -1.5400810000e+00  8.4634000000e-02
-ENERGY -1.526584391264e+02
-FORCES -6.8781000000e-03 -7.4893000000e-03  1.2084300000e-02  1.6436000000e-03 -3.6480000000e-04 -2.3443000000e-03  2.2139000000e-03  9.4260000000e-04 -8.8893000000e-03  2.5474000000e-03 -1.8049000000e-03  3.2430000000e-04 -3.8268000000e-03  2.4950000000e-03 -3.0877000000e-03  4.2999000000e-03  6.2214000000e-03  1.9126000000e-03
-
-JOB 14
-COORDS  1.1097020000e+00  4.6331600000e-01  5.9173100000e-01  1.6291980000e+00  5.0552700000e-01 -2.1112300000e-01  1.2151350000e+00  1.3266400000e+00  9.9146600000e-01 -1.1702180000e+00 -5.7185200000e-01 -5.3430700000e-01 -3.3818300000e-01 -1.1631600000e-01 -4.0609800000e-01 -1.6023780000e+00 -8.8589000000e-02 -1.2385270000e+00
-ENERGY -1.526569485137e+02
-FORCES -5.6590000000e-04  2.7620000000e-03  1.2071000000e-03 -7.6984000000e-03 -4.9820000000e-04  2.6271000000e-03  4.6920000000e-04 -4.3596000000e-03 -2.6845000000e-03  8.5792000000e-03  6.0356000000e-03  5.2840000000e-03 -3.9350000000e-03 -3.5337000000e-03 -9.1905000000e-03  3.1509000000e-03 -4.0620000000e-04  2.7567000000e-03
-
-JOB 15
-COORDS  3.2116500000e-01 -1.0290550000e+00 -9.0544500000e-01  5.1169300000e-01 -8.2412200000e-01 -1.8208320000e+00  6.3635000000e-02 -1.9133900000e-01 -5.2055300000e-01 -2.5980600000e-01  9.4747800000e-01  8.9251900000e-01 -1.0576530000e+00  1.4122230000e+00  6.4016300000e-01 -3.6407800000e-01  7.8308300000e-01  1.8297140000e+00
-ENERGY -1.526591266719e+02
-FORCES -1.0314000000e-03  8.8589000000e-03  7.3327000000e-03 -1.4700000000e-03  1.3703000000e-03  3.7436000000e-03 -4.9620000000e-04 -4.4511000000e-03 -9.5105000000e-03 -7.3220000000e-04 -4.9327000000e-03  2.7438000000e-03  4.4682000000e-03 -3.6822000000e-03 -2.9310000000e-04 -7.3830000000e-04  2.8367000000e-03 -4.0164000000e-03
-
-JOB 16
-COORDS -8.2877500000e-01  9.4143700000e-01 -6.6768500000e-01 -1.6367980000e+00  4.6844400000e-01 -8.6670500000e-01 -2.6012100000e-01  2.8578700000e-01 -2.6396800000e-01  8.1698900000e-01 -8.3702600000e-01  6.1635200000e-01  1.2805370000e+00 -1.6552920000e+00  4.3804000000e-01  8.5340300000e-01 -7.4309200000e-01  1.5682360000e+00
-ENERGY -1.526609237598e+02
-FORCES  6.1794000000e-03 -1.0186800000e-02  4.9384000000e-03  2.5419000000e-03  7.2410000000e-04  7.8040000000e-04 -5.7362000000e-03  6.4806000000e-03 -2.7285000000e-03 -1.3108000000e-03  1.3203000000e-03 -9.6010000000e-04 -2.0115000000e-03  3.4554000000e-03  2.8159000000e-03  3.3720000000e-04 -1.7936000000e-03 -4.8462000000e-03
-
-JOB 17
-COORDS -1.1622130000e+00 -7.1497400000e-01  3.6503900000e-01 -5.8386000000e-01 -4.7697000000e-02 -4.3940000000e-03 -1.8932690000e+00 -2.2047900000e-01  7.3553100000e-01  1.1543570000e+00  5.9209200000e-01 -4.0078400000e-01  1.6785970000e+00  6.5879900000e-01  3.9731000000e-01  9.0054600000e-01  1.4938710000e+00 -5.9726800000e-01
-ENERGY -1.526581747670e+02
-FORCES  8.9996000000e-03  5.9609000000e-03 -3.5699000000e-03 -1.0655000000e-02 -8.3620000000e-04  2.6641000000e-03  4.1185000000e-03  6.4400000000e-05 -1.6589000000e-03  2.3992000000e-03  6.7200000000e-05  4.5623000000e-03 -2.6653000000e-03  9.8650000000e-04 -4.5634000000e-03 -2.1970000000e-03 -6.2428000000e-03  2.5658000000e-03
-
-JOB 18
-COORDS -6.2359300000e-01 -4.6481200000e-01  1.1709580000e+00 -3.0735400000e-01 -4.4607700000e-01  2.6770100000e-01 -9.6320600000e-01 -1.3520570000e+00  1.2879730000e+00  5.7461100000e-01  4.7127300000e-01 -1.1233890000e+00  5.9440700000e-01  1.3501300000e+00 -1.5021380000e+00  1.4668290000e+00  3.2530600000e-01 -8.0894900000e-01
-ENERGY -1.526597536460e+02
-FORCES  1.9501000000e-03  2.7262000000e-03 -9.3982000000e-03 -3.7710000000e-04 -6.1614000000e-03  8.1656000000e-03  1.9884000000e-03  3.0050000000e-03 -2.1875000000e-03 -2.0440000000e-04  4.3982000000e-03  3.6510000000e-03  1.9816000000e-03 -3.9079000000e-03  1.0344000000e-03 -5.3387000000e-03 -6.0200000000e-05 -1.2653000000e-03
-
-JOB 19
-COORDS  1.1574800000e-01 -1.1565360000e+00  8.1728000000e-01 -1.5389800000e-01 -6.6092300000e-01  4.4046000000e-02 -7.0541200000e-01 -1.4001860000e+00  1.2445540000e+00 -1.3158000000e-02  1.0946780000e+00 -7.6297500000e-01 -4.1587800000e-01  1.9030350000e+00 -4.4578800000e-01 -2.3935900000e-01  1.0625440000e+00 -1.6925090000e+00
-ENERGY -1.526577997640e+02
-FORCES -2.7004000000e-03  9.4017000000e-03 -6.1356000000e-03 -7.2620000000e-04 -9.1856000000e-03  2.1937000000e-03  2.3066000000e-03  1.9903000000e-03 -1.7799000000e-03 -8.0690000000e-04  2.9163000000e-03  2.8865000000e-03  1.6226000000e-03 -3.4948000000e-03 -2.9371000000e-03  3.0420000000e-04 -1.6279000000e-03  5.7724000000e-03
-
-JOB 20
-COORDS -4.4973900000e-01 -8.4034500000e-01 -1.0582310000e+00  1.0676100000e-01 -9.3503700000e-01 -1.8312600000e+00 -7.6023000000e-02 -9.8282000000e-02 -5.8293000000e-01  3.5075300000e-01  7.7404800000e-01  1.0366710000e+00  3.7714600000e-01  1.6680210000e+00  1.3777690000e+00  1.1414840000e+00  3.6125200000e-01  1.3839110000e+00
-ENERGY -1.526600902760e+02
-FORCES  3.0767000000e-03  7.4744000000e-03  5.9505000000e-03 -7.6440000000e-04  1.1776000000e-03  3.6112000000e-03 -5.5400000000e-04 -6.6042000000e-03 -7.7204000000e-03  9.6970000000e-04 -5.2700000000e-04  1.5070000000e-03  7.7130000000e-04 -4.7250000000e-03 -9.0100000000e-04 -3.4994000000e-03  3.2042000000e-03 -2.4472000000e-03
-
-JOB 21
-COORDS -6.3889700000e-01  4.1488700000e-01  1.1133100000e+00 -1.5357580000e+00  4.3354900000e-01  1.4472620000e+00 -3.7742900000e-01  1.3349360000e+00  1.0762240000e+00  7.4048100000e-01 -4.9314800000e-01 -1.1165140000e+00  2.5547600000e-01 -5.7382600000e-01 -1.9377890000e+00  1.3852800000e-01 -4.0452000000e-02 -5.2579400000e-01
-ENERGY -1.526589610102e+02
-FORCES -1.7194000000e-03  6.0900000000e-04  1.2002000000e-03  4.6653000000e-03  9.1950000000e-04 -1.2876000000e-03 -1.7310000000e-03 -6.0577000000e-03 -2.6877000000e-03 -7.9732000000e-03  1.9552000000e-03  7.5674000000e-03  5.3830000000e-04  6.7580000000e-04  3.4053000000e-03  6.2199000000e-03  1.8983000000e-03 -8.1976000000e-03
-
-JOB 22
-COORDS  2.3306000000e-01 -1.2883100000e+00 -5.8221400000e-01  4.9710500000e-01 -4.0313300000e-01 -3.3126900000e-01 -3.3551000000e-02 -1.2086510000e+00 -1.4980760000e+00 -2.2084900000e-01  1.1856180000e+00  5.7980100000e-01  1.7848100000e-01  2.0500930000e+00  4.8258600000e-01 -7.9087000000e-01  1.2691630000e+00  1.3442140000e+00
-ENERGY -1.526585868452e+02
-FORCES -2.8325000000e-03  1.1071300000e-02  2.2621000000e-03  3.7263000000e-03 -6.1603000000e-03 -4.4742000000e-03  9.6280000000e-04  8.4300000000e-05  2.7366000000e-03 -3.0027000000e-03 -2.0432000000e-03  3.0852000000e-03 -1.7112000000e-03 -4.9129000000e-03 -1.4210000000e-04  2.8573000000e-03  1.9607000000e-03 -3.4676000000e-03
-
-JOB 23
-COORDS -1.2282490000e+00  5.8186300000e-01  1.8261100000e-01 -1.8755710000e+00  4.9129900000e-01 -5.1667800000e-01 -8.8030000000e-01  1.4669910000e+00  7.4387000000e-02  1.3004490000e+00 -6.3436800000e-01 -9.5147000000e-02  1.2338040000e+00 -8.5305200000e-01 -1.0246460000e+00  4.3220000000e-01 -3.0479500000e-01  1.3670700000e-01
-ENERGY -1.526602261090e+02
-FORCES -4.4700000000e-05  1.8996000000e-03 -3.7535000000e-03  3.6811000000e-03  1.2673000000e-03  2.9868000000e-03 -1.0404000000e-03 -6.0053000000e-03 -1.5650000000e-04 -1.2758200000e-02  3.0165000000e-03 -1.1702000000e-03  1.9360000000e-04  9.0370000000e-04  2.3232000000e-03  9.9686000000e-03 -1.0820000000e-03 -2.2980000000e-04
-
-JOB 24
-COORDS  1.1046040000e+00  8.9621000000e-01  2.0668600000e-01  5.5476200000e-01  1.7477300000e-01 -9.8984000000e-02  1.7835230000e+00  4.7413300000e-01  7.3313700000e-01 -1.0593380000e+00 -8.4867500000e-01 -1.7610400000e-01 -1.8581420000e+00 -3.7679100000e-01  5.9414000000e-02 -1.1160660000e+00 -9.5772400000e-01 -1.1253790000e+00
-ENERGY -1.526601028493e+02
-FORCES -7.6470000000e-03 -9.3398000000e-03  6.6540000000e-04  8.5403000000e-03  5.4458000000e-03 -2.6313000000e-03 -2.5449000000e-03  7.1670000000e-04 -1.7237000000e-03 -3.9155000000e-03  4.3295000000e-03  6.0620000000e-04  3.0868000000e-03 -3.4190000000e-03 -2.2550000000e-03  2.4804000000e-03  2.2667000000e-03  5.3384000000e-03
-
-JOB 25
-COORDS  1.6285000000e-01  9.8899000000e-01 -8.9164400000e-01 -1.2673100000e-01  1.8769460000e+00 -6.8209700000e-01  5.3596100000e-01  1.0593250000e+00 -1.7703210000e+00 -1.1509400000e-01 -1.0756370000e+00  9.5350000000e-01 -1.0293270000e+00 -1.3590550000e+00  9.6266000000e-01 -1.3456800000e-01 -2.1588300000e-01  5.3317300000e-01
-ENERGY -1.526591155262e+02
-FORCES  2.2222000000e-03 -2.2311000000e-03 -2.4481000000e-03  9.9350000000e-04 -5.2872000000e-03 -3.7140000000e-04 -2.3783000000e-03  2.0628000000e-03  3.6317000000e-03 -9.3470000000e-04  7.3193000000e-03 -8.4533000000e-03  2.6470000000e-03  1.4738000000e-03 -3.4370000000e-04 -2.5497000000e-03 -3.3376000000e-03  7.9848000000e-03
-
-JOB 26
-COORDS  3.6089600000e-01  7.7391700000e-01  1.0404970000e+00  3.1249100000e-01  4.8728200000e-01  1.9524890000e+00  1.1620840000e+00  1.2957130000e+00  9.9513500000e-01 -4.3781000000e-01 -7.6419200000e-01 -1.1449110000e+00 -2.2123900000e-01 -1.6755310000e+00 -9.4795800000e-01 -9.6155000000e-02 -2.6990900000e-01 -3.9980100000e-01
-ENERGY -1.526609900201e+02
-FORCES  9.0340000000e-04 -7.8340000000e-04  7.0110000000e-04  1.4413000000e-03  1.7804000000e-03 -4.3482000000e-03 -3.9728000000e-03 -3.1089000000e-03  1.1770000000e-03  4.0545000000e-03  4.7955000000e-03  1.0531000000e-02 -4.6510000000e-04  2.8440000000e-03  3.4560000000e-04 -1.9612000000e-03 -5.5276000000e-03 -8.4065000000e-03
-
-JOB 27
-COORDS -1.1860000000e-01  1.1088990000e+00 -9.5369400000e-01 -8.8376400000e-01  6.6751100000e-01 -1.3223840000e+00  2.8247700000e-01  4.5542400000e-01 -3.8068500000e-01  1.8971200000e-01 -1.0510480000e+00  8.9049900000e-01 -6.3857600000e-01 -1.5299890000e+00  9.1853300000e-01  1.9576700000e-01 -5.3471000000e-01  1.6964710000e+00
-ENERGY -1.526593411509e+02
-FORCES -3.4110000000e-04 -1.2028600000e-02  5.6413000000e-03  1.3057000000e-03  1.7833000000e-03  7.1660000000e-04  4.9360000000e-04  8.5214000000e-03 -3.1081000000e-03 -5.2083000000e-03  1.0051000000e-03  2.1629000000e-03  3.7908000000e-03  2.6064000000e-03 -1.7900000000e-05 -4.0700000000e-05 -1.8876000000e-03 -5.3947000000e-03
-
-JOB 28
-COORDS -5.8185900000e-01  1.2289480000e+00  6.2381000000e-02 -6.5912600000e-01  1.6331770000e+00  9.2659200000e-01 -4.8651300000e-01  1.9667100000e+00 -5.3998800000e-01  5.5575700000e-01 -1.3393520000e+00 -3.7448000000e-02  1.7962600000e-01 -4.9748700000e-01 -2.9439200000e-01  1.4096170000e+00 -1.3625750000e+00 -4.6944000000e-01
-ENERGY -1.526603029617e+02
-FORCES  1.0717000000e-03  8.2100000000e-04  3.9795000000e-03 -1.4360000000e-04  2.2850000000e-04 -4.9592000000e-03  3.1390000000e-04 -3.6411000000e-03  3.1477000000e-03 -2.4332000000e-03  1.0190300000e-02 -8.7730000000e-04  4.0299000000e-03 -8.7216000000e-03 -2.3467000000e-03 -2.8387000000e-03  1.1229000000e-03  1.0560000000e-03
-
-JOB 29
-COORDS -3.3875800000e-01  1.0647220000e+00 -8.3054900000e-01 -6.4226100000e-01  6.2315900000e-01 -1.6237320000e+00 -1.1384190000e+00  1.3853400000e+00 -4.1344200000e-01  3.7845800000e-01 -1.1181590000e+00  8.6398200000e-01 -5.4495000000e-02 -3.5211500000e-01  4.8720600000e-01  1.2722970000e+00 -8.2542800000e-01  1.0417260000e+00
-ENERGY -1.526596675984e+02
-FORCES -2.4539000000e-03 -1.0418000000e-03 -4.1600000000e-03  9.0990000000e-04  2.6064000000e-03  4.7204000000e-03  5.0809000000e-03 -4.6503000000e-03 -3.7140000000e-04  1.0151000000e-03  1.1084300000e-02 -6.9602000000e-03 -2.1575000000e-03 -6.4844000000e-03  6.7752000000e-03 -2.3946000000e-03 -1.5143000000e-03 -4.0000000000e-06
-
-JOB 30
-COORDS  4.7377700000e-01 -1.3634290000e+00 -2.0735400000e-01  2.4077500000e-01 -4.6296400000e-01  1.8709000000e-02  1.0025730000e+00 -1.2824330000e+00 -1.0011090000e+00 -4.5678600000e-01  1.2532440000e+00  2.1033700000e-01 -5.7746200000e-01  2.1291140000e+00 -1.5643600000e-01 -8.8790800000e-01  1.2891300000e+00  1.0641980000e+00
-ENERGY -1.526601649998e+02
-FORCES -1.9302000000e-03  1.1711400000e-02 -1.8770000000e-03  1.7872000000e-03 -8.1175000000e-03  2.4694000000e-03 -1.3832000000e-03 -3.4190000000e-04  1.9604000000e-03 -5.7950000000e-04  1.5680000000e-04 -8.9750000000e-04 -4.4760000000e-04 -3.2764000000e-03  3.0051000000e-03  2.5534000000e-03 -1.3250000000e-04 -4.6604000000e-03
-
-JOB 31
-COORDS  5.2773800000e-01 -1.2310160000e+00 -2.7798700000e-01  8.3698000000e-02 -1.9173640000e+00 -7.7597000000e-01  1.0727750000e+00 -1.7047790000e+00  3.5027600000e-01 -5.6554500000e-01  1.3046580000e+00  3.3259700000e-01 -7.0717800000e-01  1.7008820000e+00 -5.2715800000e-01  8.5667000000e-02  6.2054200000e-01  1.7722500000e-01
-ENERGY -1.526594949620e+02
-FORCES -3.9358000000e-03 -1.9211000000e-03  3.2220000000e-04  3.3045000000e-03  1.7554000000e-03  2.3927000000e-03 -2.9189000000e-03  2.4209000000e-03 -2.9997000000e-03  4.1766000000e-03 -9.0620000000e-03 -5.3488000000e-03  2.7800000000e-05 -1.4384000000e-03  2.3879000000e-03 -6.5420000000e-04  8.2453000000e-03  3.2457000000e-03
-
-JOB 32
-COORDS  1.2475510000e+00  2.3601300000e-01 -7.3247000000e-01  8.8609300000e-01  3.7963300000e-01 -1.6070860000e+00  4.9989700000e-01 -5.0412000000e-02 -2.0786900000e-01 -1.1374560000e+00 -2.6238000000e-01  7.1680000000e-01 -2.0084770000e+00 -5.4613600000e-01  9.9435400000e-01 -1.0636190000e+00  6.3586500000e-01  1.0391890000e+00
-ENERGY -1.526598180993e+02
-FORCES -9.4123000000e-03 -4.2692000000e-03  8.8260000000e-04  1.3390000000e-03  4.7100000000e-05  2.4894000000e-03  5.8539000000e-03  6.2835000000e-03 -6.8270000000e-04 -1.7524000000e-03  3.0970000000e-04  7.9930000000e-04  3.3344000000e-03  3.1668000000e-03 -5.0880000000e-04  6.3740000000e-04 -5.5379000000e-03 -2.9798000000e-03
-
-JOB 33
-COORDS -1.2497390000e+00  4.1338400000e-01  3.9463700000e-01 -1.4997770000e+00  6.2874500000e-01 -5.0388000000e-01 -2.0446700000e+00  5.6122600000e-01  9.0694500000e-01  1.3706760000e+00 -4.4821900000e-01 -3.6036600000e-01  9.0240500000e-01 -6.8076500000e-01 -1.1621610000e+00  7.3115500000e-01  4.0220000000e-02  1.5797100000e-01
-ENERGY -1.526582665998e+02
-FORCES -2.7843000000e-03  4.0150000000e-04 -6.1550000000e-04  2.2075000000e-03 -1.7205000000e-03  4.1317000000e-03  2.9169000000e-03 -6.1720000000e-04 -3.5364000000e-03 -1.0451400000e-02  1.3439000000e-03  2.4376000000e-03  1.4305000000e-03  1.3821000000e-03  1.2736000000e-03  6.6807000000e-03 -7.8980000000e-04 -3.6911000000e-03
-
-JOB 34
-COORDS -1.1372060000e+00 -7.8012500000e-01 -1.3625000000e-02 -1.4534080000e+00 -1.6826860000e+00 -5.4029000000e-02 -1.6580440000e+00 -3.7415900000e-01  6.7930400000e-01  1.2168970000e+00  8.0482700000e-01 -7.8933000000e-02  3.9541600000e-01  3.6037700000e-01  1.3050700000e-01  1.4424850000e+00  1.2812350000e+00  7.2005200000e-01
-ENERGY -1.526585768597e+02
-FORCES -8.3290000000e-04 -3.8803000000e-03  6.3800000000e-05 -4.6030000000e-04  4.6517000000e-03  8.3030000000e-04  5.3295000000e-03 -1.1435000000e-03 -2.9352000000e-03 -6.7243000000e-03 -5.5831000000e-03  1.2272000000e-03  5.0621000000e-03  8.1611000000e-03  2.9760000000e-03 -2.3742000000e-03 -2.2059000000e-03 -2.1622000000e-03
-
-JOB 35
-COORDS  1.1112370000e+00 -8.5814300000e-01  5.3644500000e-01  2.8676200000e-01 -5.4517300000e-01  1.6425900000e-01  1.2665600000e+00 -2.8771200000e-01  1.2892500000e+00 -1.0495030000e+00  7.4044400000e-01 -5.6206300000e-01 -1.9701580000e+00  1.0020130000e+00 -5.7650200000e-01 -5.6647000000e-01  1.5652170000e+00 -5.1049000000e-01
-ENERGY -1.526603905869e+02
-FORCES -8.1823000000e-03  5.0374000000e-03 -8.1790000000e-04  7.9779000000e-03 -3.2795000000e-03  2.8954000000e-03 -3.7100000000e-05 -1.0221000000e-03 -2.6408000000e-03 -1.6268000000e-03  3.2147000000e-03 -2.5750000000e-04  4.6664000000e-03  3.2280000000e-04 -1.0190000000e-04 -2.7982000000e-03 -4.2733000000e-03  9.2270000000e-04
-
-JOB 36
-COORDS  1.9890000000e-03  7.4936600000e-01  1.2081640000e+00  6.8245800000e-01  1.1693090000e+00  1.7343220000e+00 -4.7764100000e-01  1.4765660000e+00  8.1146800000e-01 -6.3137000000e-02 -8.6073400000e-01 -1.2262210000e+00  6.3302300000e-01 -6.1008500000e-01 -1.8334840000e+00  7.3777000000e-02 -3.0270400000e-01 -4.6065700000e-01
-ENERGY -1.526605602315e+02
-FORCES  7.9350000000e-04  4.0883000000e-03  2.7397000000e-03 -3.8310000000e-03 -1.0424000000e-03 -2.6749000000e-03  3.9991000000e-03 -4.7256000000e-03  5.5010000000e-04  3.5397000000e-03  4.4940000000e-03  7.0696000000e-03 -2.1656000000e-03 -1.0770000000e-04  2.4366000000e-03 -2.3357000000e-03 -2.7066000000e-03 -1.0121200000e-02
-
-JOB 37
-COORDS -9.5864600000e-01  9.3570900000e-01 -7.0128000000e-01 -1.6537940000e+00  3.0351500000e-01 -8.8384900000e-01 -2.2525200000e-01  4.0355400000e-01 -3.9277400000e-01  8.8958700000e-01 -8.8448400000e-01  6.6916800000e-01  1.1723090000e+00 -7.7087900000e-01  1.5765790000e+00  1.6624910000e+00 -6.6716500000e-01  1.4799200000e-01
-ENERGY -1.526599186604e+02
-FORCES  3.1856000000e-03 -9.0601000000e-03  5.2868000000e-03  1.6769000000e-03  2.3574000000e-03  1.7000000000e-04 -1.6511000000e-03  6.1924000000e-03 -7.1198000000e-03  3.2819000000e-03  7.4180000000e-04  4.4747000000e-03 -2.2130000000e-04 -1.2424000000e-03 -4.6721000000e-03 -6.2721000000e-03  1.0109000000e-03  1.8604000000e-03
-
-JOB 38
-COORDS -1.3721400000e-01  1.0745520000e+00 -1.0494420000e+00 -3.3329600000e-01  5.2557200000e-01 -1.8086550000e+00  2.6204000000e-02  4.5327400000e-01 -3.3983600000e-01  1.3921900000e-01 -9.6078900000e-01  1.0121800000e+00 -5.9018000000e-01 -1.5692590000e+00  1.1303870000e+00  8.2858000000e-01 -1.2985440000e+00  1.5839610000e+00
-ENERGY -1.526613809073e+02
-FORCES  1.2952000000e-03 -8.4398000000e-03  4.9373000000e-03  1.2060000000e-04  1.4963000000e-03  2.2524000000e-03 -1.4622000000e-03  6.5816000000e-03 -6.7781000000e-03 -1.7500000000e-05 -2.0891000000e-03  2.0458000000e-03  4.1834000000e-03  2.0994000000e-03 -3.2600000000e-04 -4.1195000000e-03  3.5150000000e-04 -2.1314000000e-03
-
-JOB 39
-COORDS  4.2922500000e-01 -1.2231950000e+00  6.1197000000e-01  9.1573800000e-01 -1.0216640000e+00  1.4112970000e+00  3.1742300000e-01 -2.1736260000e+00  6.3226000000e-01 -4.1761500000e-01  1.3252450000e+00 -6.8240800000e-01 -1.3614120000e+00  1.2005420000e+00 -5.8276900000e-01 -3.4712000000e-02  4.9438500000e-01 -4.0082600000e-01
-ENERGY -1.526612291586e+02
-FORCES  1.0667000000e-03 -3.1914000000e-03  2.5002000000e-03 -2.4037000000e-03 -1.6232000000e-03 -3.9348000000e-03  8.6910000000e-04  4.0946000000e-03  1.3859000000e-03 -9.2770000000e-04 -8.7629000000e-03  3.3787000000e-03  2.4884000000e-03  9.7590000000e-04 -6.1590000000e-04 -1.0927000000e-03  8.5070000000e-03 -2.7141000000e-03
-
-JOB 40
-COORDS -1.1180770000e+00 -4.5528500000e-01 -9.0882400000e-01 -7.7821500000e-01  1.3976100000e-01 -1.5771400000e+00 -1.6087430000e+00  1.0950300000e-01 -3.1175300000e-01  1.1390070000e+00  4.5191100000e-01  9.5237500000e-01  1.6792470000e+00 -3.1781200000e-01  7.7377300000e-01  3.4017800000e-01  3.0736100000e-01  4.4521800000e-01
-ENERGY -1.526577980812e+02
-FORCES -3.9629000000e-03  3.4025000000e-03 -3.4810000000e-03 -5.3130000000e-04 -3.0292000000e-03  5.3451000000e-03  6.9801000000e-03 -2.5415000000e-03 -1.5363000000e-03 -3.8273000000e-03 -7.6856000000e-03 -5.5934000000e-03 -6.4580000000e-04  3.2411000000e-03  1.0297000000e-03  1.9873000000e-03  6.6128000000e-03  4.2360000000e-03
-
-JOB 41
-COORDS  6.3223700000e-01 -1.1477990000e+00  8.2480100000e-01 -1.1550100000e-01 -1.2721430000e+00  1.4093170000e+00  4.7185300000e-01 -3.0186600000e-01  4.0658300000e-01 -5.2468700000e-01  1.0565090000e+00 -8.3011600000e-01 -4.6850300000e-01  2.0062740000e+00 -7.2512700000e-01 -1.4488100000e+00  8.8982600000e-01 -1.0157100000e+00
-ENERGY -1.526604315155e+02
-FORCES -5.2647000000e-03  7.0067000000e-03 -3.1704000000e-03  2.0210000000e-03  2.9500000000e-05 -1.8203000000e-03  4.1620000000e-03 -6.3431000000e-03  5.7688000000e-03 -4.3259000000e-03  2.2785000000e-03 -1.8856000000e-03 -7.2610000000e-04 -4.7708000000e-03 -2.0010000000e-04  4.1337000000e-03  1.7992000000e-03  1.3075000000e-03
-
-JOB 42
-COORDS  3.1666100000e-01 -5.0267700000e-01  1.3161440000e+00  1.1414500000e+00 -2.1935100000e-01  1.7107080000e+00 -1.4033900000e-01 -9.6319000000e-01  2.0199270000e+00 -3.3554500000e-01  4.9551900000e-01 -1.4436060000e+00 -2.2468600000e-01 -1.0478900000e-01 -7.0633200000e-01 -4.8573100000e-01  1.3491960000e+00 -1.0375130000e+00
-ENERGY -1.526607717291e+02
-FORCES  2.2009000000e-03 -5.2010000000e-04  4.0599000000e-03 -4.3084000000e-03 -1.4101000000e-03 -7.0880000000e-04  2.6665000000e-03  2.4229000000e-03 -2.7537000000e-03  8.4380000000e-04 -7.6610000000e-04  9.6924000000e-03 -1.8635000000e-03  1.8969000000e-03 -7.9504000000e-03  4.6070000000e-04 -1.6235000000e-03 -2.3394000000e-03
-
-JOB 43
-COORDS  5.6887800000e-01 -1.2834750000e+00  3.9989500000e-01  1.0613990000e+00 -2.1017920000e+00  3.3654900000e-01  7.1161800000e-01 -9.8641200000e-01  1.2985670000e+00 -5.7789800000e-01  1.3513460000e+00 -4.9435000000e-01 -1.4312370000e+00  1.4159730000e+00 -6.5551000000e-02 -1.5720400000e-01  5.9832800000e-01 -7.9366000000e-02
-ENERGY -1.526583172715e+02
-FORCES  3.6497000000e-03 -4.5481000000e-03  7.3910000000e-04 -2.2018000000e-03  3.2638000000e-03  1.8746000000e-03 -1.9733000000e-03  7.4880000000e-04 -5.7868000000e-03 -1.2640000000e-04 -7.3529000000e-03  1.6663000000e-03  3.2124000000e-03 -2.4820000000e-04 -8.7800000000e-04 -2.5606000000e-03  8.1365000000e-03  2.3849000000e-03
-
-JOB 44
-COORDS -5.4036400000e-01  1.3079610000e+00  4.1412600000e-01 -4.7981200000e-01  2.2112690000e+00  7.2493100000e-01 -8.0352300000e-01  8.0590900000e-01  1.1854380000e+00  5.0261400000e-01 -1.3709040000e+00 -5.0297900000e-01  4.0017300000e-01 -5.2221600000e-01 -7.2322000000e-02  1.4474300000e+00 -1.5242430000e+00 -5.0945900000e-01
-ENERGY -1.526584515223e+02
-FORCES -2.3369000000e-03  4.3798000000e-03  3.5440000000e-03 -1.1290000000e-03 -4.1940000000e-03 -8.3140000000e-04  4.2707000000e-03  1.0827000000e-03 -5.1621000000e-03  2.1680000000e-03  6.8771000000e-03  3.7760000000e-04  3.2320000000e-04 -8.9097000000e-03  1.8894000000e-03 -3.2960000000e-03  7.6400000000e-04  1.8260000000e-04
-
-JOB 45
-COORDS  8.5890900000e-01 -4.1812800000e-01  1.1372250000e+00  1.0069580000e+00  3.2238800000e-01  1.7254000000e+00  3.2054400000e-01 -1.0246030000e+00  1.6457350000e+00 -8.8576700000e-01  3.6385100000e-01 -1.2115520000e+00 -8.7509000000e-02  2.8673500000e-01 -6.8899100000e-01 -8.3624800000e-01  1.2382840000e+00 -1.5977490000e+00
-ENERGY -1.526603486686e+02
-FORCES -3.1251000000e-03 -1.2678000000e-03  5.9115000000e-03 -9.2130000000e-04 -3.0152000000e-03 -3.3023000000e-03  3.3784000000e-03  3.0265000000e-03 -1.2727000000e-03  5.7432000000e-03  2.6590000000e-04  4.0187000000e-03 -5.5161000000e-03  3.7667000000e-03 -7.6264000000e-03  4.4090000000e-04 -2.7762000000e-03  2.2712000000e-03
-
-JOB 46
-COORDS -2.9476700000e-01  1.5351620000e+00 -1.5878900000e-01 -6.8303800000e-01  1.7869080000e+00  6.7912600000e-01 -3.3973000000e-02  6.2215800000e-01 -3.7789000000e-02  3.5461100000e-01 -1.4966150000e+00  7.4904000000e-02 -5.4812200000e-01 -1.5476830000e+00 -2.3925600000e-01  2.7770900000e-01 -1.5080270000e+00  1.0289420000e+00
-ENERGY -1.526584859987e+02
-FORCES  2.6291000000e-03 -5.8421000000e-03  2.8864000000e-03  1.3214000000e-03 -2.0704000000e-03 -2.7868000000e-03 -5.7758000000e-03  8.1870000000e-03  5.2000000000e-04 -3.3269000000e-03 -5.8623000000e-03  2.1960000000e-03  5.3537000000e-03  3.0659000000e-03  2.5070000000e-03 -2.0140000000e-04  2.5219000000e-03 -5.3225000000e-03
-
-JOB 47
-COORDS  1.2468150000e+00 -6.6639600000e-01 -7.9509000000e-01  1.1555430000e+00  9.9026000000e-02 -2.2761300000e-01  3.4792300000e-01 -9.4961200000e-01 -9.6246100000e-01 -1.1604940000e+00  6.9246800000e-01  7.3255100000e-01 -2.0990190000e+00  5.8781600000e-01  8.8891600000e-01 -7.5208600000e-01 -1.1640000000e-03  1.2505360000e+00
-ENERGY -1.526569910162e+02
-FORCES -6.5108000000e-03  5.1690000000e-03  6.7900000000e-05  2.3764000000e-03 -4.7004000000e-03  1.6380000000e-04  4.1815000000e-03 -1.7265000000e-03  9.1210000000e-04 -3.6497000000e-03 -2.0614000000e-03  3.8669000000e-03  4.3078000000e-03 -2.2450000000e-04 -7.5180000000e-04 -7.0520000000e-04  3.5438000000e-03 -4.2589000000e-03
-
-JOB 48
-COORDS  6.9110600000e-01  2.3208100000e-01  1.4514350000e+00 -3.7160000000e-02 -3.5220400000e-01  1.2405490000e+00  1.4059040000e+00 -6.1888000000e-02  8.8674300000e-01 -6.4132700000e-01 -1.2772700000e-01 -1.4162770000e+00 -9.0339500000e-01 -8.3873500000e-01 -2.0011020000e+00 -1.1722410000e+00 -2.5557800000e-01 -6.3013700000e-01
-ENERGY -1.526528905553e+02
-FORCES  1.1919000000e-03 -3.4706000000e-03 -6.8379000000e-03 -6.6730000000e-04  2.4863000000e-03  1.9870000000e-04 -1.6414000000e-03  8.8630000000e-04  4.4451000000e-03 -4.5795000000e-03 -1.4923000000e-03  1.1360000000e-04  1.8055000000e-03  3.1338000000e-03  3.2140000000e-03  3.8909000000e-03 -1.5434000000e-03 -1.1335000000e-03
-
-JOB 49
-COORDS  8.0730100000e-01 -1.8603400000e-01 -1.3384160000e+00  1.5744860000e+00  2.5292500000e-01 -1.7058030000e+00  1.4952700000e-01  5.0503500000e-01 -1.2610250000e+00 -7.9414000000e-01  1.7595100000e-01  1.4004440000e+00 -9.1729600000e-01  2.5506100000e-01  4.5450300000e-01 -1.0154860000e+00 -7.3455000000e-01  1.5959590000e+00
-ENERGY -1.526515892215e+02
-FORCES  2.7476000000e-03  5.8110000000e-03 -3.8190000000e-04 -3.3288000000e-03 -2.2504000000e-03  1.2497000000e-03 -8.2830000000e-04 -4.5885000000e-03  2.9137000000e-03  1.2591000000e-03 -6.2323000000e-03 -4.1997000000e-03  1.8900000000e-05  3.2400000000e-03  1.9690000000e-04  1.3150000000e-04  4.0202000000e-03  2.2130000000e-04
-
-JOB 50
-COORDS -1.2378330000e+00  1.0211220000e+00 -1.9038600000e-01 -2.0527150000e+00  5.9612500000e-01 -4.5792600000e-01 -6.2336700000e-01  2.9942800000e-01 -5.6891000000e-02  1.2578560000e+00 -9.5224200000e-01  2.6353100000e-01  1.8267720000e+00 -6.6403300000e-01 -4.5026300000e-01  5.3139400000e-01 -1.3969270000e+00 -1.7320700000e-01
-ENERGY -1.526554828821e+02
-FORCES  1.7929000000e-03 -3.9293000000e-03  1.8644000000e-03  4.1526000000e-03  6.2630000000e-04  9.0110000000e-04 -6.7721000000e-03  7.4230000000e-04 -4.3554000000e-03  3.7678000000e-03 -2.4518000000e-03 -4.9903000000e-03 -3.2227000000e-03 -1.7443000000e-03  3.6749000000e-03  2.8150000000e-04  6.7569000000e-03  2.9054000000e-03
-
-JOB 51
-COORDS  1.6003470000e+00 -4.6430000000e-02  2.6499500000e-01  1.6826660000e+00 -1.4519500000e-01  1.2135200000e+00  8.0434700000e-01 -5.2886000000e-01  4.1662000000e-02 -1.5629180000e+00  1.3912500000e-01 -2.6871700000e-01 -1.9098400000e+00 -3.2556000000e-02 -1.1441610000e+00 -1.1979770000e+00 -6.9955500000e-01  1.3534000000e-02
-ENERGY -1.526507939639e+02
-FORCES -4.9759000000e-03  5.1160000000e-04  2.4708000000e-03 -5.2700000000e-04 -9.2700000000e-05 -4.0895000000e-03  1.4223000000e-03 -2.5596000000e-03  1.6543000000e-03 -1.5827000000e-03 -2.9961000000e-03 -3.1090000000e-03  1.8228000000e-03  7.5660000000e-04  4.3406000000e-03  3.8405000000e-03  4.3803000000e-03 -1.2672000000e-03
-
-JOB 52
-COORDS -2.7372300000e-01  1.1272150000e+00 -1.1560830000e+00  2.7615500000e-01  4.6290300000e-01 -7.4068500000e-01 -9.5828700000e-01  6.2791300000e-01 -1.6013940000e+00  3.1549100000e-01 -1.0209540000e+00  1.1284890000e+00 -1.1655800000e-01 -1.7949120000e+00  7.6716500000e-01  9.5267000000e-02 -1.0360370000e+00  2.0598890000e+00
-ENERGY -1.526576173637e+02
-FORCES  2.2930000000e-04 -6.1397000000e-03  3.7820000000e-03 -1.8521000000e-03  3.8319000000e-03 -6.6497000000e-03  2.2291000000e-03  1.4977000000e-03  1.3259000000e-03 -3.2481000000e-03 -2.1434000000e-03  4.9898000000e-03  1.7875000000e-03  4.1732000000e-03  4.7780000000e-04  8.5430000000e-04 -1.2198000000e-03 -3.9259000000e-03
-
-JOB 53
-COORDS -1.5020600000e-01  1.3567170000e+00 -9.0410100000e-01 -7.0357000000e-02  6.1634100000e-01 -3.0268700000e-01  6.0401500000e-01  1.9110310000e+00 -7.0380500000e-01  8.6406000000e-02 -1.2849670000e+00  8.3107900000e-01 -4.9414200000e-01 -1.9313690000e+00  1.2327760000e+00  9.5401400000e-01 -1.6879000000e+00  8.6472500000e-01
-ENERGY -1.526605332779e+02
-FORCES  2.2638000000e-03 -3.9723000000e-03  4.9908000000e-03  4.4650000000e-04  8.1170000000e-03 -5.2221000000e-03 -2.2003000000e-03 -2.1373000000e-03 -7.0340000000e-04 -1.3710000000e-04 -5.8108000000e-03  2.0911000000e-03  3.5891000000e-03  1.9249000000e-03 -1.3679000000e-03 -3.9619000000e-03  1.8785000000e-03  2.1130000000e-04
-
-JOB 54
-COORDS -9.6596500000e-01  1.0574560000e+00  5.6884700000e-01 -1.2809280000e+00  1.7846240000e+00  3.1951000000e-02 -1.7378220000e+00  7.6519500000e-01  1.0536690000e+00  1.0667200000e+00 -1.0528170000e+00 -6.1636700000e-01  2.3280700000e-01 -7.8279500000e-01 -2.3177900000e-01  1.3094820000e+00 -1.8424560000e+00 -1.3286900000e-01
-ENERGY -1.526586306094e+02
-FORCES -4.2424000000e-03  5.3285000000e-03 -4.7330000000e-04  6.1310000000e-04 -3.1771000000e-03  3.1678000000e-03  4.0448000000e-03  2.2260000000e-04 -2.7061000000e-03 -3.8672000000e-03  1.6994000000e-03  4.4530000000e-03  4.8254000000e-03 -6.9787000000e-03 -3.0470000000e-03 -1.3737000000e-03  2.9053000000e-03 -1.3946000000e-03
-
-JOB 55
-COORDS -1.2667320000e+00 -1.0024410000e+00  1.2229500000e-01 -9.1609500000e-01 -1.1405900000e-01  5.8556000000e-02 -2.0398480000e+00 -9.1586300000e-01  6.7999300000e-01  1.2299350000e+00  9.2166700000e-01 -1.8000500000e-01  1.5614270000e+00  1.8177770000e+00 -2.3772300000e-01  1.8405150000e+00  4.7733800000e-01  4.0820900000e-01
-ENERGY -1.526593063440e+02
-FORCES  8.2120000000e-04  5.4554000000e-03  5.5720000000e-04 -6.3581000000e-03 -5.7903000000e-03  1.5563000000e-03  3.1072000000e-03  8.8400000000e-05 -1.8921000000e-03  6.1052000000e-03  1.1028000000e-03  1.7051000000e-03 -1.3500000000e-03 -4.0324000000e-03  5.9360000000e-04 -2.3255000000e-03  3.1760000000e-03 -2.5201000000e-03
-
-JOB 56
-COORDS  5.4675700000e-01  2.9956000000e-02  1.5461760000e+00  8.3080900000e-01  8.9137800000e-01  1.2403990000e+00 -4.0740400000e-01  5.2025000000e-02  1.4732310000e+00 -4.8940500000e-01 -4.0875000000e-02 -1.4727540000e+00 -5.1706200000e-01 -9.9761000000e-01 -1.4839470000e+00 -8.0264700000e-01  2.1842300000e-01 -2.3392850000e+00
-ENERGY -1.526560825004e+02
-FORCES -3.5506000000e-03  4.5599000000e-03 -5.7326000000e-03 -1.2100000000e-04 -2.5120000000e-03  3.2862000000e-03  3.3239000000e-03 -1.0345000000e-03  2.5748000000e-03 -9.0400000000e-05 -4.4117000000e-03 -3.4691000000e-03 -1.1725000000e-03  4.2862000000e-03 -7.0950000000e-04  1.6106000000e-03 -8.8790000000e-04  4.0501000000e-03
-
-JOB 57
-COORDS  6.6450000000e-01  1.0013890000e+00  1.0914490000e+00  1.1196080000e+00  7.3257100000e-01  1.8894750000e+00 -1.3319600000e-01  1.4292590000e+00  1.4026430000e+00 -6.1555400000e-01 -1.0591180000e+00 -1.1859170000e+00 -1.5383550000e+00 -8.1761300000e-01 -1.2655800000e+00 -2.5691600000e-01 -4.3259700000e-01 -5.5736200000e-01
-ENERGY -1.526593316452e+02
-FORCES  1.0729000000e-03  1.8703000000e-03  7.0876000000e-03 -2.3960000000e-03  2.0117000000e-03 -3.2439000000e-03  3.0880000000e-03 -2.9973000000e-03 -2.2983000000e-03  2.4830000000e-04  4.8251000000e-03  3.7310000000e-03  3.1505000000e-03 -5.7490000000e-04  6.8010000000e-04 -5.1637000000e-03 -5.1349000000e-03 -5.9565000000e-03
-
-JOB 58
-COORDS -5.6917400000e-01 -1.5706160000e+00  5.3403600000e-01 -6.1550000000e-03 -7.9848600000e-01  4.7874600000e-01 -1.2783880000e+00 -1.3952700000e+00 -8.4430000000e-02  5.1510200000e-01  1.5113780000e+00 -4.7083500000e-01  8.6924400000e-01  1.2416630000e+00 -1.3182250000e+00  1.2743800000e+00  1.8331710000e+00  1.5146000000e-02
-ENERGY -1.526587329685e+02
-FORCES -7.4820000000e-04  7.0894000000e-03 -2.8904000000e-03 -1.1315000000e-03 -7.2217000000e-03  1.5771000000e-03  2.2299000000e-03 -1.8865000000e-03  1.8227000000e-03  5.1059000000e-03  3.9513000000e-03 -2.8040000000e-03 -1.9283000000e-03  4.2250000000e-04  4.5164000000e-03 -3.5278000000e-03 -2.3549000000e-03 -2.2218000000e-03
-
-JOB 59
-COORDS -1.3253740000e+00 -1.0102410000e+00 -3.9598400000e-01 -6.1343800000e-01 -6.9132500000e-01 -9.5066500000e-01 -1.5523520000e+00 -1.8641590000e+00 -7.6413600000e-01  1.2979780000e+00  1.0787540000e+00  5.1429900000e-01  1.2150160000e+00  1.4159800000e+00 -3.7768100000e-01  1.3266610000e+00  1.2772800000e-01  4.0961700000e-01
-ENERGY -1.526526354831e+02
-FORCES  4.5190000000e-04 -1.8446000000e-03 -4.0704000000e-03 -1.2466000000e-03 -1.6168000000e-03  2.7278000000e-03  1.3046000000e-03  3.9483000000e-03  1.8618000000e-03 -7.3990000000e-04 -2.4057000000e-03 -2.2382000000e-03 -1.4700000000e-04 -2.5495000000e-03  3.2953000000e-03  3.7700000000e-04  4.4683000000e-03 -1.5762000000e-03
-
-JOB 60
-COORDS -1.0187910000e+00  3.4252700000e-01 -1.4694550000e+00 -1.0259910000e+00 -1.7693000000e-01 -6.6549900000e-01 -1.4965980000e+00  1.1406510000e+00 -1.2437770000e+00  1.0023980000e+00 -3.1053800000e-01  1.4048000000e+00  1.0470190000e+00 -1.1421900000e+00  9.3300000000e-01  1.7581960000e+00 -3.2685900000e-01  1.9919420000e+00
-ENERGY -1.526553237584e+02
-FORCES -8.9430000000e-04  2.3821000000e-03  6.0373000000e-03 -6.0300000000e-04  5.8600000000e-05 -4.6815000000e-03  1.2428000000e-03 -3.0168000000e-03 -1.6283000000e-03  5.1373000000e-03 -2.9386000000e-03  6.7230000000e-04 -1.8300000000e-03  3.5878000000e-03  2.0538000000e-03 -3.0528000000e-03 -7.3100000000e-05 -2.4536000000e-03
-
-JOB 61
-COORDS -1.6759300000e-01 -1.7387710000e+00 -6.5293000000e-01 -7.7544500000e-01 -1.0227730000e+00 -4.6828300000e-01  6.9331100000e-01 -1.3213350000e+00 -6.8161800000e-01  1.5406600000e-01  1.6019720000e+00  6.3779300000e-01  1.7901100000e-01  2.2332240000e+00 -8.1326000000e-02  1.2337500000e-01  2.1402710000e+00  1.4286940000e+00
-ENERGY -1.526574702478e+02
-FORCES  1.3901000000e-03  6.6239000000e-03  2.5585000000e-03  9.4370000000e-04 -4.5855000000e-03 -2.3773000000e-03 -2.6083000000e-03 -3.0127000000e-03 -1.3011000000e-03  2.8140000000e-04  6.0867000000e-03  1.8768000000e-03 -1.8210000000e-04 -3.2512000000e-03  2.9498000000e-03  1.7510000000e-04 -1.8611000000e-03 -3.7068000000e-03
-
-JOB 62
-COORDS  8.2853500000e-01  6.7577900000e-01 -1.4649450000e+00  5.3001400000e-01  1.0471360000e+00 -2.2951320000e+00  4.1678600000e-01  1.2223830000e+00 -7.9567700000e-01 -7.7940500000e-01 -6.9053900000e-01  1.5291700000e+00 -1.6010110000e+00 -8.4378500000e-01  1.0625750000e+00 -1.2540900000e-01 -1.1806650000e+00  1.0308760000e+00
-ENERGY -1.526570750454e+02
-FORCES -2.4950000000e-03  4.6903000000e-03 -2.8970000000e-04  9.1780000000e-04 -1.5300000000e-03  3.4932000000e-03  2.0377000000e-03 -2.2250000000e-03 -4.3055000000e-03 -1.8360000000e-04 -4.0556000000e-03 -4.3640000000e-03  3.0047000000e-03  1.1426000000e-03  2.0852000000e-03 -3.2815000000e-03  1.9777000000e-03  3.3809000000e-03
-
-JOB 63
-COORDS  7.6690400000e-01 -9.5689000000e-02 -1.7386550000e+00  8.2416000000e-02 -5.3608100000e-01 -2.2424040000e+00  7.0731400000e-01 -4.8127500000e-01 -8.6458200000e-01 -6.7164000000e-01  1.8226000000e-01  1.6980970000e+00 -8.6267300000e-01 -1.9968500000e-01  2.5547510000e+00 -1.3955480000e+00 -1.0377100000e-01  1.1409830000e+00
-ENERGY -1.526553701438e+02
-FORCES -2.0246000000e-03 -2.7881000000e-03  2.7296000000e-03  2.2472000000e-03  1.8128000000e-03  2.3589000000e-03 -1.7120000000e-04  5.0520000000e-04 -5.9873000000e-03 -4.8239000000e-03 -1.3315000000e-03  2.9568000000e-03  6.9660000000e-04  1.6556000000e-03 -3.8876000000e-03  4.0758000000e-03  1.4590000000e-04  1.8296000000e-03
-
-JOB 64
-COORDS  6.3615700000e-01 -1.0663600000e+00  1.4246470000e+00  7.9722200000e-01 -1.0643240000e+00  2.3681970000e+00  9.8147600000e-01 -1.9069740000e+00  1.1240560000e+00 -7.1121900000e-01  1.0831630000e+00 -1.5005270000e+00 -4.2522400000e-01  8.7628200000e-01 -6.1078600000e-01 -1.9780100000e-01  1.8532420000e+00 -1.7446830000e+00
-ENERGY -1.526572728216e+02
-FORCES  2.2317000000e-03 -4.7428000000e-03  3.0610000000e-03 -5.0310000000e-04 -1.0640000000e-04 -3.9908000000e-03 -1.2041000000e-03  3.5148000000e-03  1.8453000000e-03  3.5339000000e-03  1.2023000000e-03  3.8539000000e-03 -2.0897000000e-03  2.9290000000e-03 -5.5566000000e-03 -1.9687000000e-03 -2.7968000000e-03  7.8710000000e-04
-
-JOB 65
-COORDS -1.6632700000e-01 -2.7552900000e-01 -1.9538720000e+00 -1.0580530000e+00 -4.1887900000e-01 -2.2709040000e+00  3.5473900000e-01 -9.4963700000e-01 -2.3901060000e+00  1.4421600000e-01  3.6759100000e-01  2.0138590000e+00  9.8270000000e-02 -5.6431600000e-01  2.2275650000e+00  9.0046500000e-01  4.4337100000e-01  1.4319850000e+00
-ENERGY -1.526546334364e+02
-FORCES -2.6662000000e-03 -2.9068000000e-03 -3.4094000000e-03  3.9090000000e-03  3.1390000000e-04  9.0700000000e-04 -1.8822000000e-03  2.7549000000e-03  2.3297000000e-03  2.6002000000e-03 -3.4554000000e-03 -3.4742000000e-03  1.8290000000e-04  3.5011000000e-03 -2.3620000000e-04 -2.1437000000e-03 -2.0770000000e-04  3.8830000000e-03
-
-JOB 66
-COORDS  1.1157560000e+00 -1.5755550000e+00 -7.9712400000e-01  6.6927500000e-01 -1.1948380000e+00 -1.5533920000e+00  2.0136120000e+00 -1.2496560000e+00 -8.5938300000e-01 -1.1292370000e+00  1.5432580000e+00  8.9369700000e-01 -1.1882500000e+00  7.3952400000e-01  3.7720800000e-01 -1.2369840000e+00  2.2476650000e+00  2.5460900000e-01
-ENERGY -1.526543197165e+02
-FORCES  3.3445000000e-03  2.4278000000e-03 -3.2324000000e-03  9.4190000000e-04 -9.9820000000e-04  3.7483000000e-03 -3.8362000000e-03 -1.5960000000e-03 -1.4200000000e-04 -4.2180000000e-04 -1.3174000000e-03 -4.1497000000e-03 -6.7100000000e-04  4.4301000000e-03  1.4217000000e-03  6.4250000000e-04 -2.9464000000e-03  2.3541000000e-03
-
-JOB 67
-COORDS  1.1506610000e+00  9.8789300000e-01  1.5128180000e+00  9.4088200000e-01  2.3816000000e-01  9.5592900000e-01  1.7991100000e+00  6.5286400000e-01  2.1320930000e+00 -1.1838820000e+00 -8.6287800000e-01 -1.5315500000e+00 -7.1782500000e-01 -1.2531920000e+00 -7.9217300000e-01 -1.5184150000e+00 -1.6109280000e+00 -2.0262620000e+00
-ENERGY -1.526526287335e+02
-FORCES  1.9901000000e-03 -3.8502000000e-03 -6.9800000000e-05  4.3800000000e-04  1.8434000000e-03  2.5628000000e-03 -2.8506000000e-03  1.3454000000e-03 -2.6495000000e-03 -4.1990000000e-04 -5.1203000000e-03  4.0000000000e-04 -5.6980000000e-04  2.5024000000e-03 -2.3436000000e-03  1.4122000000e-03  3.2794000000e-03  2.1001000000e-03
-
-JOB 68
-COORDS  7.5418800000e-01  1.9553010000e+00  4.9114100000e-01  9.1484600000e-01  1.0214620000e+00  6.2665800000e-01  5.4952900000e-01  2.2926390000e+00  1.3632360000e+00 -7.4686000000e-01 -1.9656340000e+00 -5.0506600000e-01 -1.5244050000e+00 -1.4816130000e+00 -7.8323700000e-01 -4.2274000000e-02 -1.6251750000e+00 -1.0563170000e+00
-ENERGY -1.526554380803e+02
-FORCES -2.2280000000e-04 -2.5232000000e-03  4.9121000000e-03 -2.5580000000e-04  4.2863000000e-03 -1.4362000000e-03  8.6200000000e-04 -1.1729000000e-03 -3.5908000000e-03 -1.2037000000e-03  2.8899000000e-03 -4.4669000000e-03  3.2884000000e-03 -2.3090000000e-03  1.3595000000e-03 -2.4681000000e-03 -1.1711000000e-03  3.2223000000e-03
-
-JOB 69
-COORDS -6.0056000000e-01  1.3140060000e+00  1.6525730000e+00 -1.5360640000e+00  1.1660860000e+00  1.7910860000e+00 -4.6994400000e-01  2.2384810000e+00  1.8635600000e+00  6.2156000000e-01 -1.4168170000e+00 -1.6856180000e+00  4.1545300000e-01 -5.7286000000e-01 -2.0874740000e+00  1.2744850000e+00 -1.2110020000e+00 -1.0166180000e+00
-ENERGY -1.526551067685e+02
-FORCES -3.8822000000e-03  2.9031000000e-03  1.9046000000e-03  3.9184000000e-03  9.7110000000e-04 -4.8100000000e-04 -4.1070000000e-04 -3.8358000000e-03 -1.0943000000e-03  1.4836000000e-03  4.9587000000e-03  2.2653000000e-03  8.6960000000e-04 -3.5661000000e-03  7.8930000000e-04 -1.9788000000e-03 -1.4311000000e-03 -3.3839000000e-03
-
-JOB 70
-COORDS -1.1247400000e-01  1.8746680000e+00  1.2323960000e+00  2.2333700000e-01  2.3765150000e+00  1.9751020000e+00 -2.4682400000e-01  2.5258670000e+00  5.4383100000e-01  1.1091300000e-01 -1.9316480000e+00 -1.3003820000e+00  2.2987100000e-01 -2.7741800000e+00 -8.6195200000e-01 -1.9973900000e-01 -1.3443090000e+00 -6.1135500000e-01
-ENERGY -1.526557516731e+02
-FORCES  1.1199000000e-03  5.3304000000e-03  4.0600000000e-04 -1.4518000000e-03 -1.9343000000e-03 -3.0641000000e-03  4.5610000000e-04 -2.7578000000e-03  2.9954000000e-03 -6.8280000000e-04 -3.1710000000e-04  5.1858000000e-03 -4.5080000000e-04  3.1095000000e-03 -1.8359000000e-03  1.0094000000e-03 -3.4307000000e-03 -3.6873000000e-03
-
-JOB 71
-COORDS  2.4859000000e-01  1.4379220000e+00  1.7984790000e+00 -3.2514000000e-01  1.7171150000e+00  1.0849540000e+00  6.2477000000e-02  2.0507310000e+00  2.5098570000e+00 -2.6132500000e-01 -1.4912840000e+00 -1.7724400000e+00  2.5898200000e-01 -2.2497000000e+00 -2.0376160000e+00  2.9031800000e-01 -7.3720200000e-01 -1.9804820000e+00
-ENERGY -1.526541084149e+02
-FORCES -3.6794000000e-03  3.1826000000e-03  9.8500000000e-05  2.8413000000e-03 -6.3780000000e-04  2.7463000000e-03  8.2790000000e-04 -2.4800000000e-03 -2.8831000000e-03  4.9047000000e-03 -3.4500000000e-04 -1.3276000000e-03 -2.2087000000e-03  3.0340000000e-03  8.1160000000e-04 -2.6859000000e-03 -2.7538000000e-03  5.5420000000e-04
-
-JOB 72
-COORDS  1.4157000000e-01 -2.3568490000e+00 -5.2865700000e-01  1.0048700000e+00 -1.9818960000e+00 -7.0288500000e-01 -1.2798500000e-01 -2.7373110000e+00 -1.3646120000e+00 -1.6070100000e-01  2.3896490000e+00  6.4309000000e-01 -1.2175500000e-01  2.6502170000e+00 -2.7713800000e-01 -4.8570000000e-01  1.4895120000e+00  6.2408500000e-01
-ENERGY -1.526550259239e+02
-FORCES  2.8345000000e-03 -1.1526000000e-03 -4.1363000000e-03 -4.0056000000e-03 -1.1432000000e-03  6.3440000000e-04  1.1144000000e-03  1.8212000000e-03  3.4575000000e-03 -1.6455000000e-03 -2.9945000000e-03 -3.5603000000e-03  6.7800000000e-05 -9.9220000000e-04  3.5952000000e-03  1.6344000000e-03  4.4611000000e-03  9.4000000000e-06
-
-JOB 73
-COORDS  9.5345000000e-01  2.1130510000e+00 -6.4534500000e-01  1.3172040000e+00  2.2809300000e+00 -1.5146730000e+00  6.2110800000e-01  2.9628130000e+00 -3.5606200000e-01 -9.7014400000e-01 -2.2242370000e+00  7.1415800000e-01 -2.8627900000e-01 -1.5825850000e+00  9.0610500000e-01 -1.3884490000e+00 -1.8980650000e+00 -8.2626000000e-02
-ENERGY -1.526555334050e+02
-FORCES  4.7990000000e-04  4.7631000000e-03 -2.4383000000e-03 -1.6367000000e-03 -7.2830000000e-04  3.5938000000e-03  1.3546000000e-03 -3.5704000000e-03 -1.2851000000e-03  1.4923000000e-03  4.6802000000e-03 -2.6027000000e-03 -2.9562000000e-03 -3.3720000000e-03 -3.3820000000e-04  1.2662000000e-03 -1.7725000000e-03  3.0705000000e-03
-
-JOB 74
-COORDS -1.8846020000e+00  9.9929600000e-01 -1.2133210000e+00 -2.6526990000e+00  9.8485800000e-01 -1.7843300000e+00 -1.4210740000e+00  1.8621000000e-01 -1.4139830000e+00  1.9291010000e+00 -9.7269900000e-01  1.2055710000e+00  1.9903320000e+00 -1.1113500000e-01  1.6181110000e+00  1.3574380000e+00 -1.4762130000e+00  1.7851450000e+00
-ENERGY -1.526549226456e+02
-FORCES -7.8080000000e-04 -3.4868000000e-03 -3.3118000000e-03  3.0575000000e-03  3.8700000000e-05  2.3475000000e-03 -2.5659000000e-03  3.4424000000e-03  7.2870000000e-04 -1.9888000000e-03  1.9079000000e-03  4.3685000000e-03 -2.4000000000e-05 -3.7660000000e-03 -1.5842000000e-03  2.3021000000e-03  1.8638000000e-03 -2.5488000000e-03
-
-JOB 75
-COORDS -5.6215300000e-01  3.8793900000e-01 -2.5002970000e+00 -1.4998320000e+00  2.8684200000e-01 -2.3366810000e+00 -2.0150700000e-01  6.7362000000e-01 -1.6609210000e+00  6.1380100000e-01 -3.4772000000e-01  2.5002570000e+00 -8.6586000000e-02 -2.5114900000e-01  1.8549950000e+00  9.9484900000e-01 -1.2058730000e+00  2.3142260000e+00
-ENERGY -1.526536760047e+02
-FORCES -2.2744000000e-03  1.3882000000e-03  3.4629000000e-03  4.0466000000e-03  2.1420000000e-04 -3.1730000000e-04 -1.8608000000e-03 -1.8064000000e-03 -3.0865000000e-03 -1.1372000000e-03 -3.6837000000e-03 -2.8246000000e-03  2.9127000000e-03  1.3490000000e-04  2.0253000000e-03 -1.6868000000e-03  3.7528000000e-03  7.4010000000e-04
-
-JOB 76
-COORDS  2.0176900000e-01 -1.4450130000e+00  2.0381810000e+00 -1.3693600000e-01 -2.2912980000e+00  2.3302650000e+00  8.2964900000e-01 -1.1913770000e+00  2.7146920000e+00 -1.8338300000e-01  1.4783000000e+00 -2.0319770000e+00 -4.5008000000e-02  2.0852480000e+00 -2.7590930000e+00 -8.8897200000e-01  9.0405600000e-01 -2.3296690000e+00
-ENERGY -1.526534762722e+02
-FORCES  1.4957000000e-03 -1.9803000000e-03  3.8700000000e-03  1.2699000000e-03  3.4338000000e-03 -1.3179000000e-03 -2.6280000000e-03 -1.2525000000e-03 -2.5927000000e-03 -2.4706000000e-03 -3.9270000000e-04 -3.7658000000e-03 -4.7210000000e-04 -2.4097000000e-03  3.0147000000e-03  2.8051000000e-03  2.6014000000e-03  7.9160000000e-04
-
-JOB 77
-COORDS  2.4881300000e-01  1.8414870000e+00  1.8449510000e+00 -2.6053400000e-01  2.1294970000e+00  1.0874230000e+00  2.2377000000e-02  2.4630590000e+00  2.5367650000e+00 -1.7526800000e-01 -1.9482150000e+00 -1.8613390000e+00 -1.9969900000e-01 -1.0984690000e+00 -2.3013020000e+00 -7.1189900000e-01 -1.8283110000e+00 -1.0778330000e+00
-ENERGY -1.526539273932e+02
-FORCES -2.6863000000e-03  4.1078000000e-03  1.3730000000e-04  1.9192000000e-03 -1.6165000000e-03  2.8368000000e-03  8.8960000000e-04 -2.5922000000e-03 -2.9326000000e-03 -1.8874000000e-03  3.9054000000e-03  1.8776000000e-03 -1.0290000000e-04 -3.3243000000e-03  1.6743000000e-03  1.8680000000e-03 -4.8020000000e-04 -3.5935000000e-03
-
-JOB 78
-COORDS -3.5413700000e-01 -1.6946340000e+00 -2.0002150000e+00  2.9014800000e-01 -2.3804890000e+00 -2.1755200000e+00 -1.1996860000e+00 -2.1118140000e+00 -2.1652630000e+00  3.7672500000e-01  1.8201520000e+00  2.0402900000e+00  7.3283500000e-01  1.0193290000e+00  2.4251280000e+00 -1.2892600000e-01  1.5193220000e+00  1.2852730000e+00
-ENERGY -1.526550010916e+02
-FORCES -7.4790000000e-04 -4.7199000000e-03 -1.9821000000e-03 -2.7176000000e-03  2.7959000000e-03  8.5660000000e-04  3.5039000000e-03  1.7588000000e-03  8.4420000000e-04 -5.8270000000e-04 -4.7561000000e-03 -2.1386000000e-03 -1.3367000000e-03  3.2784000000e-03 -1.1741000000e-03  1.8810000000e-03  1.6428000000e-03  3.5940000000e-03
-
-JOB 79
-COORDS -1.4457500000e+00  2.0075530000e+00 -2.0756130000e+00 -6.3188000000e-01  1.5344090000e+00 -2.2487690000e+00 -2.1261270000e+00  1.4721110000e+00 -2.4838050000e+00  1.4341100000e+00 -1.9625770000e+00  2.1711540000e+00  1.1446000000e+00 -2.5887910000e+00  1.5076250000e+00  1.7990260000e+00 -1.2333250000e+00  1.6698970000e+00
-ENERGY -1.526537679268e+02
-FORCES  3.0680000000e-04 -3.9582000000e-03 -2.4725000000e-03 -3.1914000000e-03  1.7879000000e-03  8.7630000000e-04  2.8947000000e-03  2.1444000000e-03  1.6798000000e-03  2.4880000000e-04  5.4000000000e-04 -4.5598000000e-03  1.1941000000e-03  2.5839000000e-03  2.5956000000e-03 -1.4529000000e-03 -3.0978000000e-03  1.8806000000e-03
-
-JOB 80
-COORDS -1.0405480000e+00 -1.8635380000e+00  2.6202670000e+00 -3.4690600000e-01 -2.3361610000e+00  2.1601360000e+00 -1.8006430000e+00 -2.4430660000e+00  2.5689340000e+00  1.0592700000e+00  1.9795310000e+00 -2.6109950000e+00  2.7371200000e-01  1.4915850000e+00 -2.8580580000e+00  1.5683840000e+00  1.3637680000e+00 -2.0838600000e+00
-ENERGY -1.526539783944e+02
-FORCES -3.7370000000e-04 -4.3988000000e-03 -1.7647000000e-03 -2.8022000000e-03  2.0677000000e-03  1.6671000000e-03  3.1594000000e-03  2.3989000000e-03  1.1290000000e-04 -1.2646000000e-03 -4.3867000000e-03  1.4030000000e-03  3.2621000000e-03  1.9175000000e-03  8.6930000000e-04 -1.9810000000e-03  2.4015000000e-03 -2.2876000000e-03
-
-JOB 81
-COORDS  9.8738800000e-01  2.2384150000e+00 -2.9471550000e+00  1.0563540000e+00  1.9409500000e+00 -3.8543430000e+00  1.7586170000e+00  2.7900340000e+00 -2.8161820000e+00 -1.0510780000e+00 -2.3154530000e+00  2.9995580000e+00 -6.7153900000e-01 -1.6946290000e+00  3.6214580000e+00 -1.1168450000e+00 -1.8246740000e+00  2.1803870000e+00
-ENERGY -1.526543764274e+02
-FORCES  3.4462000000e-03  1.0878000000e-03 -3.3240000000e-03 -2.7640000000e-04  1.2146000000e-03  3.7353000000e-03 -3.1577000000e-03 -2.2716000000e-03 -4.7080000000e-04  1.2850000000e-03  4.6410000000e-03 -9.7140000000e-04 -1.5286000000e-03 -2.5645000000e-03 -2.4259000000e-03  2.3150000000e-04 -2.1072000000e-03  3.4567000000e-03
-
-JOB 82
-COORDS -1.8436190000e+00  9.6564400000e-01 -3.4125920000e+00 -1.7563320000e+00  1.4397000000e-02 -3.4737620000e+00 -1.1380470000e+00  1.2340320000e+00 -2.8240620000e+00  1.8122250000e+00 -9.8813300000e-01  3.3531240000e+00  2.3768010000e+00 -4.1459600000e-01  3.8713330000e+00  9.8104000000e-01 -5.1709600000e-01  3.2940630000e+00
-ENERGY -1.526541857370e+02
-FORCES  3.3129000000e-03 -2.8775000000e-03  2.0649000000e-03 -4.0690000000e-04  3.9179000000e-03  2.5860000000e-04 -2.9386000000e-03 -1.0151000000e-03 -2.3290000000e-03 -1.0548000000e-03  4.2144000000e-03  2.1190000000e-03 -2.3217000000e-03 -2.3274000000e-03 -2.1815000000e-03  3.4091000000e-03 -1.9122000000e-03  6.8000000000e-05
-
-JOB 83
-COORDS -1.0019170000e+00  3.8451990000e+00  3.2457300000e-01 -1.3429730000e+00  3.7271260000e+00 -5.6197700000e-01 -1.4120700000e-01  4.2448570000e+00  1.9934200000e-01  9.6382600000e-01 -3.7988510000e+00 -2.6142300000e-01  5.9048900000e-01 -4.3581070000e+00 -9.4265900000e-01  1.4327180000e+00 -4.4027030000e+00  3.1454200000e-01
-ENERGY -1.526539803184e+02
-FORCES  2.2217000000e-03  8.6660000000e-04 -4.1437000000e-03  1.3249000000e-03  6.1760000000e-04  3.5928000000e-03 -3.5318000000e-03 -1.5019000000e-03  5.2140000000e-04  3.2680000000e-04 -4.7281000000e-03 -3.1160000000e-04  1.5425000000e-03  2.2986000000e-03  2.7322000000e-03 -1.8840000000e-03  2.4471000000e-03 -2.3910000000e-03
-
-JOB 84
-COORDS -6.1505000000e-01 -2.9880950000e+00  2.7353930000e+00 -1.3421280000e+00 -3.4359170000e+00  2.3029060000e+00  1.1719600000e-01 -3.0745050000e+00  2.1249990000e+00  5.9631900000e-01  3.0706830000e+00 -2.7124590000e+00  9.2196400000e-01  3.0371890000e+00 -1.8129780000e+00  5.5476100000e-01  2.1546150000e+00 -2.9869120000e+00
-ENERGY -1.526540127161e+02
-FORCES -5.3000000000e-05 -2.3534000000e-03 -4.1214000000e-03  3.0215000000e-03  1.8857000000e-03  1.7171000000e-03 -2.9775000000e-03  4.9090000000e-04  2.4135000000e-03  1.1260000000e-03 -3.7888000000e-03  2.6263000000e-03 -1.2977000000e-03  8.9400000000e-05 -3.7375000000e-03  1.8070000000e-04  3.6762000000e-03  1.1021000000e-03
-
-JOB 85
-COORDS  6.5045200000e-01  4.2665640000e+00 -9.1578900000e-01  1.3582450000e+00  4.5589040000e+00 -1.4900690000e+00  4.0001000000e-02  5.0034910000e+00 -8.9301800000e-01 -6.4671900000e-01 -4.3475950000e+00  1.0077440000e+00 -1.4047000000e-02 -3.9297640000e+00  4.2347100000e-01 -1.4709610000e+00 -4.3293970000e+00  5.2140400000e-01
-ENERGY -1.526541532409e+02
-FORCES  4.1240000000e-04  4.2783000000e-03 -2.1690000000e-03 -2.8979000000e-03 -1.2352000000e-03  2.3143000000e-03  2.4850000000e-03 -3.0254000000e-03 -1.2730000000e-04 -7.6320000000e-04  1.9784000000e-03 -4.3480000000e-03 -2.5652000000e-03 -1.8337000000e-03  2.3554000000e-03  3.3288000000e-03 -1.6230000000e-04  1.9748000000e-03
-
-JOB 86
-COORDS  1.4977630000e+00  2.1521580000e+00  4.1641410000e+00  1.1262910000e+00  2.1028240000e+00  3.2833420000e+00  9.3441800000e-01  1.5882430000e+00  4.6941170000e+00 -1.4626720000e+00 -2.1301320000e+00 -4.2164200000e+00 -7.8732600000e-01 -1.6074370000e+00 -3.7840660000e+00 -1.9623400000e+00 -2.5181860000e+00 -3.4981040000e+00
-ENERGY -1.526539353636e+02
-FORCES -3.8088000000e-03 -2.4281000000e-03 -1.3415000000e-03  1.5125000000e-03  1.3640000000e-04  3.5440000000e-03  2.2986000000e-03  2.2775000000e-03 -2.2225000000e-03  7.3860000000e-04  4.9640000000e-04  4.6127000000e-03 -2.7907000000e-03 -2.1108000000e-03 -1.7023000000e-03  2.0497000000e-03  1.6285000000e-03 -2.8905000000e-03
-
-JOB 87
-COORDS -3.5405870000e+00  1.9458820000e+00  3.0132180000e+00 -2.8919420000e+00  1.9637510000e+00  3.7169030000e+00 -4.3128210000e+00  1.5417160000e+00  3.4088660000e+00  3.5402000000e+00 -1.9412030000e+00 -3.0119620000e+00  3.7910900000e+00 -1.0813420000e+00 -3.3494900000e+00  3.4264510000e+00 -2.4819680000e+00 -3.7935410000e+00
-ENERGY -1.526540619467e+02
-FORCES -4.3570000000e-04 -1.6512000000e-03  4.4627000000e-03 -2.6798000000e-03 -2.9500000000e-05 -2.8469000000e-03  3.1216000000e-03  1.6729000000e-03 -1.6091000000e-03  4.7360000000e-04  1.3544000000e-03 -4.5590000000e-03 -9.7280000000e-04 -3.5284000000e-03  1.3676000000e-03  4.9310000000e-04  2.1818000000e-03  3.1847000000e-03
-
-JOB 88
-COORDS  1.2332100000e-01 -4.9933400000e+00 -3.0369900000e+00  2.3638000000e-01 -5.9425410000e+00 -3.0866470000e+00  9.6377100000e-01 -4.6681030000e+00 -2.7143500000e+00 -2.2376700000e-01  4.9855240000e+00  3.0265090000e+00  6.8035100000e-01  4.7924960000e+00  3.2745880000e+00 -1.9856400000e-01  5.8891550000e+00  2.7117900000e+00
-ENERGY -1.526540214555e+02
-FORCES  3.8650000000e-03 -2.5211000000e-03  1.1487000000e-03 -4.5370000000e-04  3.8680000000e-03  1.9160000000e-04 -3.4091000000e-03 -1.3414000000e-03 -1.3349000000e-03  3.7664000000e-03  2.8937000000e-03 -2.9780000000e-04 -3.6769000000e-03  7.8430000000e-04 -1.0039000000e-03 -9.1500000000e-05 -3.6836000000e-03  1.2963000000e-03
-
-JOB 89
-COORDS  9.0823280000e+00  6.9525880000e+00 -1.2673520000e+00  9.1532110000e+00  7.8300800000e+00 -8.9156400000e-01  8.2834640000e+00  6.5909790000e+00 -8.8357300000e-01 -9.0243150000e+00 -6.9655400000e+00  1.2878060000e+00 -8.4180070000e+00 -7.0906370000e+00  5.5775700000e-01 -9.8916020000e+00 -7.0969790000e+00  9.0470100000e-01
-ENERGY -1.526540803452e+02
-FORCES -2.9696000000e-03  2.1032000000e-03  3.1032000000e-03 -2.8870000000e-04 -3.5784000000e-03 -1.5350000000e-03  3.2586000000e-03  1.4755000000e-03 -1.5684000000e-03 -1.0653000000e-03 -1.0524000000e-03 -4.5418000000e-03 -2.4728000000e-03  5.1350000000e-04  2.9788000000e-03  3.5378000000e-03  5.3860000000e-04  1.5632000000e-03
-
-JOB 0
-COORDS  4.3844100000e-01 -1.0751980000e+00  6.2896000000e-01  1.8480900000e-01 -2.0896800000e-01  3.1029300000e-01  1.0761900000e+00 -8.9917400000e-01  1.3207140000e+00 -4.0385300000e-01  9.7219000000e-01 -6.5390300000e-01 -4.4609500000e-01  1.7703260000e+00 -1.2719000000e-01 -1.2639050000e+00  9.1341300000e-01 -1.0699420000e+00
-ENERGY -1.526561717585e+02
-FORCES -6.5325000000e-03  1.6412100000e-02 -1.1429900000e-02  4.0551000000e-03 -4.1279000000e-03  7.7110000000e-03 -2.7039000000e-03  2.9533000000e-03 -2.8529000000e-03 -6.6100000000e-05 -1.1264600000e-02  5.3868000000e-03  7.0820000000e-04 -6.4076000000e-03 -1.2170000000e-03  4.5393000000e-03  2.4348000000e-03  2.4020000000e-03
-
-JOB 1
-COORDS  5.4425700000e-01  1.0229540000e+00  6.1960700000e-01  3.1166200000e-01  1.3133700000e-01  3.6047000000e-01  1.4141070000e+00  9.4009400000e-01  1.0104100000e+00 -5.7740600000e-01 -9.2671500000e-01 -5.7601300000e-01 -5.4866600000e-01 -6.2721400000e-01 -1.4846960000e+00 -7.0214700000e-01 -1.8736420000e+00 -6.3926400000e-01
-ENERGY -1.526578919443e+02
-FORCES -7.4147000000e-03 -1.4910800000e-02 -6.7825000000e-03  4.4505000000e-03  6.7446000000e-03  2.0565000000e-03 -3.0517000000e-03 -2.4736000000e-03 -1.9381000000e-03  5.3217000000e-03  9.3152000000e-03  3.1132000000e-03 -2.3650000000e-04 -3.7540000000e-03  4.5572000000e-03  9.3070000000e-04  5.0787000000e-03 -1.0063000000e-03
-
-JOB 2
-COORDS  7.4581000000e-02  7.8485000000e-02 -1.2515040000e+00  5.0241200000e-01 -6.2460200000e-01 -1.7402390000e+00  7.1958200000e-01  7.8552000000e-01 -1.2339900000e+00 -9.5639000000e-02 -1.1253900000e-01  1.2943120000e+00 -3.1543700000e-01  1.8543200000e-01  4.1162700000e-01 -7.6116500000e-01  2.8626200000e-01  1.8549060000e+00
-ENERGY -1.526562147481e+02
-FORCES  3.3371000000e-03 -5.8088000000e-03  1.2116800000e-02 -7.9140000000e-04  4.8518000000e-03  5.0760000000e-04 -4.6372000000e-03 -3.7350000000e-03  2.0830000000e-03 -1.1910000000e-04 -1.0389000000e-03 -1.7409100000e-02  7.3660000000e-04  5.9040000000e-03  7.9365000000e-03  1.4740000000e-03 -1.7310000000e-04 -5.2347000000e-03
-
-JOB 3
-COORDS  4.1638500000e-01  1.1532820000e+00 -1.4126500000e-01  9.0292000000e-02  1.6196720000e+00 -9.1092500000e-01  1.0165080000e+00  1.7706270000e+00  2.7702700000e-01 -4.5483000000e-01 -1.2372060000e+00  2.1811600000e-01 -3.0894200000e-01 -1.6783470000e+00 -6.1874900000e-01 -1.9004400000e-01 -3.3087400000e-01  6.1011000000e-02
-ENERGY -1.526566110811e+02
-FORCES -3.3169000000e-03 -1.2323100000e-02  4.0369000000e-03  2.5648000000e-03 -2.6981000000e-03  4.0860000000e-03 -3.4608000000e-03 -1.0013000000e-03 -4.3230000000e-03  8.5707000000e-03  1.7914700000e-02 -2.9185000000e-03 -3.1740000000e-04  2.9478000000e-03  1.3458000000e-03 -4.0405000000e-03 -4.8400000000e-03 -2.2272000000e-03
-
-JOB 4
-COORDS -2.6690600000e-01 -3.3635500000e-01  1.1702940000e+00 -9.5712500000e-01 -8.2338000000e-01  1.6204450000e+00  5.4793400000e-01 -7.2136800000e-01  1.4928330000e+00  2.6668000000e-01  3.5950400000e-01 -1.2798510000e+00  2.3825200000e-01 -7.2476000000e-02 -4.2614400000e-01  1.9974000000e-01  1.2929600000e+00 -1.0788270000e+00
-ENERGY -1.526559154421e+02
-FORCES -1.4456000000e-03  3.9050000000e-04 -8.8124000000e-03  4.8339000000e-03  2.5032000000e-03 -6.8940000000e-04 -4.7205000000e-03  2.1952000000e-03 -5.5266000000e-03 -6.9728000000e-03 -2.3423000000e-03  1.8951700000e-02  7.7962000000e-03 -8.2400000000e-04 -2.8957000000e-03  5.0880000000e-04 -1.9227000000e-03 -1.0276000000e-03
-
-JOB 5
-COORDS  4.0106300000e-01  1.0486570000e+00 -7.4637200000e-01  1.3454440000e+00  1.1953380000e+00 -7.9986100000e-01  2.9829800000e-01  3.9717800000e-01 -5.2652000000e-02 -4.8362300000e-01 -9.7135700000e-01  7.4049200000e-01 -7.5874600000e-01 -1.4050910000e+00 -6.7230000000e-02  3.5669300000e-01 -1.3759430000e+00  9.5592300000e-01
-ENERGY -1.526569480710e+02
-FORCES -5.2548000000e-03 -1.0314200000e-02  1.0853300000e-02 -3.2141000000e-03 -3.2594000000e-03  2.1503000000e-03  7.7815000000e-03  4.2292000000e-03 -7.0786000000e-03  6.9520000000e-04  1.0000000000e-05 -7.3100000000e-03  2.8641000000e-03  2.7550000000e-03  4.9348000000e-03 -2.8718000000e-03  6.5793000000e-03 -3.5497000000e-03
-
-JOB 6
-COORDS -6.4689100000e-01 -6.3823900000e-01  9.0602600000e-01 -1.8947100000e-01 -1.1950750000e+00  1.5360510000e+00 -1.1746430000e+00 -1.2457120000e+00  3.8767600000e-01  6.2293900000e-01  7.6809800000e-01 -9.2815100000e-01  1.3688590000e+00  3.5580800000e-01 -1.3638710000e+00  3.7249400000e-01  1.4821300000e-01 -2.4313100000e-01
-ENERGY -1.526585151470e+02
-FORCES  7.5190000000e-04  8.9140000000e-04 -4.4691000000e-03 -1.5472000000e-03  2.8001000000e-03 -5.1428000000e-03  4.6800000000e-03  2.8560000000e-03  2.8601000000e-03 -6.8231000000e-03 -8.8241000000e-03  1.2371300000e-02 -3.0850000000e-03 -7.9720000000e-04  3.0858000000e-03  6.0233000000e-03  3.0738000000e-03 -8.7053000000e-03
-
-JOB 7
-COORDS  3.3180000000e-02 -8.1150300000e-01  1.0062970000e+00  8.7305700000e-01 -1.2453310000e+00  8.5585600000e-01 -8.6715000000e-02 -8.4324400000e-01  1.9554280000e+00 -1.1224200000e-01  8.7650200000e-01 -1.0822840000e+00 -3.4318600000e-01  3.3263100000e-01 -3.2922200000e-01  8.2042500000e-01  7.1142000000e-01 -1.2205270000e+00
-ENERGY -1.526578591003e+02
-FORCES  1.9933000000e-03  3.8413000000e-03 -3.1472000000e-03 -3.7925000000e-03  2.8674000000e-03  1.1083000000e-03  1.8659000000e-03 -6.6740000000e-04 -4.6303000000e-03  2.7140000000e-03 -9.4097000000e-03  1.2870300000e-02 -1.0057000000e-03  3.6063000000e-03 -6.2182000000e-03 -1.7750000000e-03 -2.3780000000e-04  1.7200000000e-05
-
-JOB 8
-COORDS -3.7054500000e-01 -1.0222420000e+00 -7.9732700000e-01 -2.5080800000e-01 -7.2834700000e-01 -1.7003890000e+00  5.0423700000e-01 -1.2873550000e+00 -5.1324400000e-01  3.6132400000e-01  1.0670130000e+00  8.4351000000e-01 -2.8412100000e-01  7.8876900000e-01  1.4932880000e+00  1.3945200000e-01  5.6939700000e-01  5.6501000000e-02
-ENERGY -1.526576891132e+02
-FORCES  4.0105000000e-03 -9.6000000000e-04  5.5230000000e-04  4.0680000000e-04  1.1519000000e-03  6.8772000000e-03 -5.3905000000e-03  5.2283000000e-03 -1.2071000000e-03 -9.4708000000e-03 -1.0999000000e-02 -6.7298000000e-03  2.7239000000e-03  1.2376000000e-03 -6.8500000000e-04  7.7201000000e-03  4.3412000000e-03  1.1925000000e-03
-
-JOB 9
-COORDS  5.6313500000e-01  8.1857400000e-01 -8.3894000000e-01  1.1124320000e+00  3.2913000000e-01 -1.4512710000e+00  4.0203000000e-01  1.6545280000e+00 -1.2765000000e+00 -5.8769300000e-01 -8.4842200000e-01  9.6387700000e-01 -3.0884000000e-02 -2.4037000000e-01  4.7759600000e-01 -1.0817600000e+00 -1.3136450000e+00  2.8882300000e-01
-ENERGY -1.526589915167e+02
-FORCES -3.1072000000e-03 -1.1066000000e-03  2.1712000000e-03 -3.7247000000e-03  2.4357000000e-03  3.0101000000e-03  1.9251000000e-03 -4.6877000000e-03  1.1710000000e-04  3.5482000000e-03  9.1706000000e-03 -1.1489600000e-02 -2.1200000000e-05 -6.1873000000e-03  4.4640000000e-03  1.3797000000e-03  3.7540000000e-04  1.7271000000e-03
-
-JOB 10
-COORDS  2.7629000000e-02  1.3067460000e+00 -7.5106000000e-02  6.2312400000e-01  1.9882280000e+00  2.3666400000e-01  6.8606000000e-02  1.3703930000e+00 -1.0293080000e+00 -7.0542000000e-02 -1.4013000000e+00  5.9515000000e-02  2.1629100000e-01 -4.8843300000e-01  3.4333000000e-02 -3.0862200000e-01 -1.5529020000e+00  9.7415500000e-01
-ENERGY -1.526594299049e+02
-FORCES  3.6930000000e-04 -1.3551000000e-03 -2.0159000000e-03 -3.2477000000e-03 -3.6522000000e-03 -2.0500000000e-03  1.4572000000e-03 -1.6692000000e-03  6.2192000000e-03 -4.0540000000e-04  1.4902700000e-02  3.6836000000e-03  7.8780000000e-04 -8.5112000000e-03 -3.6515000000e-03  1.0388000000e-03  2.8510000000e-04 -2.1855000000e-03
-
-JOB 11
-COORDS  9.2390800000e-01 -3.3141000000e-01  8.7317000000e-01  1.6759140000e+00 -6.0284100000e-01  3.4681900000e-01  1.0346590000e+00 -7.9160300000e-01  1.7051480000e+00 -9.5129900000e-01  4.0482700000e-01 -9.3749500000e-01 -1.7747050000e+00 -6.5007000000e-02 -8.0524200000e-01 -4.3952200000e-01  2.1840900000e-01 -1.5037100000e-01
-ENERGY -1.526604487570e+02
-FORCES -1.4853000000e-03 -9.1150000000e-04 -4.1421000000e-03 -3.1458000000e-03  6.7930000000e-04  4.3153000000e-03  5.2930000000e-04  1.3158000000e-03 -4.5033000000e-03  6.8516000000e-03 -4.8579000000e-03  1.0413500000e-02  2.7534000000e-03  9.4170000000e-04  6.0670000000e-04 -5.5032000000e-03  2.8325000000e-03 -6.6901000000e-03
-
-JOB 12
-COORDS  2.8875900000e-01 -1.0717900000e-01  1.3752630000e+00  1.9739400000e-01  7.8241800000e-01  1.7165850000e+00  2.1329400000e-01 -8.9810000000e-03  4.2610800000e-01 -2.7567600000e-01  1.0279200000e-01 -1.3053980000e+00  3.5993500000e-01 -1.2462200000e-01 -1.9840100000e+00 -9.2327400000e-01 -6.0135200000e-01 -1.3374820000e+00
-ENERGY -1.526614317572e+02
-FORCES -2.1990000000e-03  4.4945000000e-03 -1.3463100000e-02  2.0160000000e-04 -2.3324000000e-03 -1.4873000000e-03  8.8700000000e-04 -2.9571000000e-03  1.0120200000e-02  4.5000000000e-06 -3.3455000000e-03  5.2850000000e-04 -3.7201000000e-03  4.9970000000e-04  3.7096000000e-03  4.8260000000e-03  3.6409000000e-03  5.9220000000e-04
-
-JOB 13
-COORDS -9.8135500000e-01 -1.0433860000e+00  9.3122000000e-02 -2.2698700000e-01 -4.6739700000e-01 -3.0958000000e-02 -1.7172630000e+00 -4.4788700000e-01  2.3473100000e-01  9.7668200000e-01  9.0712400000e-01 -1.1936500000e-01  9.9710500000e-01  1.1921810000e+00  7.9417600000e-01  1.0934370000e+00  1.7117560000e+00 -6.2450500000e-01
-ENERGY -1.526598558201e+02
-FORCES  7.1003000000e-03  1.1114800000e-02 -2.9584000000e-03 -4.8682000000e-03 -6.4128000000e-03  4.3906000000e-03  1.9583000000e-03 -1.4714000000e-03  1.6470000000e-04 -2.3733000000e-03  1.2110000000e-03 -2.8210000000e-04 -1.5934000000e-03 -1.5981000000e-03 -5.3836000000e-03 -2.2370000000e-04 -2.8434000000e-03  4.0688000000e-03
-
-JOB 14
-COORDS  2.3797800000e-01  1.1645090000e+00 -6.1869200000e-01  1.1236280000e+00  1.4349050000e+00 -8.6105700000e-01 -5.0320000000e-02  1.8244370000e+00  1.1872000000e-02 -2.3107100000e-01 -1.2763300000e+00  5.8959800000e-01 -1.8217400000e-01 -4.4306700000e-01  1.2107400000e-01 -9.8303700000e-01 -1.1793620000e+00  1.1738730000e+00
-ENERGY -1.526601247924e+02
-FORCES  3.8864000000e-03 -9.3250000000e-04  2.9536000000e-03 -4.8039000000e-03  3.4330000000e-04  1.4796000000e-03  1.2956000000e-03 -4.4226000000e-03 -2.6423000000e-03  8.5530000000e-04  1.1498200000e-02 -5.8820000000e-03 -3.6856000000e-03 -8.0635000000e-03  6.0525000000e-03  2.4522000000e-03  1.5771000000e-03 -1.9614000000e-03
-
-JOB 15
-COORDS  2.1197900000e-01  1.0578230000e+00 -9.4961800000e-01 -6.9376100000e-01  1.0318210000e+00 -1.2581510000e+00  1.9750400000e-01  5.7701800000e-01 -1.2206200000e-01 -1.2517900000e-01 -9.7218100000e-01  9.0727700000e-01 -1.0729360000e+00 -1.1059040000e+00  9.1759400000e-01  2.4008700000e-01 -1.8249570000e+00  1.1430430000e+00
-ENERGY -1.526580639712e+02
-FORCES -2.6864000000e-03 -9.9559000000e-03  7.4692000000e-03  2.0811000000e-03 -2.2650000000e-04  1.3300000000e-03 -1.2738000000e-03  7.1634000000e-03 -3.9544000000e-03  6.3090000000e-04 -1.3886000000e-03 -3.3840000000e-03  4.6752000000e-03  1.2602000000e-03 -8.2290000000e-04 -3.4269000000e-03  3.1473000000e-03 -6.3800000000e-04
-
-JOB 16
-COORDS  2.6059200000e-01  1.2914590000e+00 -2.7797200000e-01  6.7719400000e-01  1.3952760000e+00 -1.1334820000e+00 -3.4560800000e-01  2.0295630000e+00 -2.1508600000e-01 -2.8605600000e-01 -1.3511610000e+00  3.8046700000e-01  9.1303000000e-02 -2.0036950000e+00 -2.0947500000e-01 -9.7710000000e-03 -5.1014600000e-01  1.6335000000e-02
-ENERGY -1.526598563198e+02
-FORCES -3.6735000000e-03  9.9780000000e-04 -4.5800000000e-05 -2.7562000000e-03 -2.0483000000e-03  4.2877000000e-03  4.1460000000e-03 -2.3833000000e-03 -1.5596000000e-03  2.7555000000e-03  1.0501200000e-02 -3.1750000000e-03 -5.3090000000e-04  3.6858000000e-03  7.9840000000e-04  5.9000000000e-05 -1.0753300000e-02 -3.0580000000e-04
-
-JOB 17
-COORDS -2.2619100000e-01 -1.4677500000e-01 -1.3390290000e+00 -6.9973700000e-01 -9.7619100000e-01 -1.2753530000e+00  4.1576300000e-01 -2.8972400000e-01 -2.0345090000e+00  2.6703900000e-01  1.5714400000e-01  1.3602970000e+00 -4.2648100000e-01  4.6487300000e-01  7.7671800000e-01  1.1208000000e-01  6.2141500000e-01  2.1828970000e+00
-ENERGY -1.526561621896e+02
-FORCES  4.9184000000e-03 -3.8583000000e-03  9.9130000000e-04  1.1046000000e-03  4.4820000000e-03  9.0200000000e-05 -3.2052000000e-03 -2.1320000000e-04  1.9026000000e-03 -2.6962000000e-03  2.3848000000e-03 -5.9034000000e-03 -4.7060000000e-04 -1.3590000000e-03  7.4290000000e-03  3.4900000000e-04 -1.4363000000e-03 -4.5096000000e-03
-
-JOB 18
-COORDS -3.3451100000e-01  1.2228260000e+00 -7.5305200000e-01 -3.5430900000e-01  4.0400300000e-01 -1.2484000000e+00  2.8214900000e-01  1.0570780000e+00 -3.9967000000e-02  2.6551800000e-01 -1.1211940000e+00  6.9657700000e-01 -9.5394000000e-02 -1.6791650000e+00  1.3855210000e+00  1.2130770000e+00 -1.2383830000e+00  7.6462500000e-01
-ENERGY -1.526562600632e+02
-FORCES  1.6551000000e-03 -1.2037100000e-02  6.2262000000e-03 -1.0750000000e-04  4.1331000000e-03 -2.0801000000e-03  1.6107000000e-03  4.5011000000e-03 -2.5058000000e-03 -5.2160000000e-04 -1.7658000000e-03  2.5782000000e-03  2.2864000000e-03  2.3734000000e-03 -3.3227000000e-03 -4.9230000000e-03  2.7953000000e-03 -8.9580000000e-04
-
-JOB 19
-COORDS -6.2457700000e-01 -9.9926200000e-01  8.3338700000e-01 -1.0342090000e+00 -6.3422400000e-01  1.6177220000e+00 -1.1981900000e-01 -2.7349800000e-01  4.6634700000e-01  5.9430800000e-01  9.7140900000e-01 -7.9940700000e-01  1.7190300000e-01  8.4008800000e-01 -1.6482650000e+00  1.4479530000e+00  5.4753200000e-01 -8.8800100000e-01
-ENERGY -1.526612679991e+02
-FORCES  3.3559000000e-03  1.0105400000e-02 -4.1068000000e-03  1.5837000000e-03 -3.4620000000e-04 -2.8113000000e-03 -1.7019000000e-03 -8.9814000000e-03  6.2571000000e-03 -5.1730000000e-04 -2.4901000000e-03 -5.2416000000e-03  3.1388000000e-03  8.5410000000e-04  4.0322000000e-03 -5.8592000000e-03  8.5810000000e-04  1.8703000000e-03
-
-JOB 20
-COORDS  5.4028800000e-01 -8.4898500000e-01  9.3115700000e-01  1.2306700000e+00 -4.6910600000e-01  1.4745690000e+00  1.8799000000e-02 -1.3742160000e+00  1.5381280000e+00 -5.9038100000e-01  9.0872200000e-01 -9.9708000000e-01 -4.5161300000e-01  3.0390800000e-01 -2.6826200000e-01 -2.5487000000e-02  5.7708600000e-01 -1.6950360000e+00
-ENERGY -1.526611396952e+02
-FORCES  1.7488000000e-03  1.4119000000e-03  2.9432000000e-03 -3.5322000000e-03 -2.9448000000e-03 -1.9853000000e-03  2.4672000000e-03  3.4913000000e-03 -2.9861000000e-03  6.4595000000e-03 -9.0303000000e-03  5.8830000000e-03 -5.5756000000e-03  5.4066000000e-03 -5.1888000000e-03 -1.5677000000e-03  1.6653000000e-03  1.3339000000e-03
-
-JOB 21
-COORDS -8.8639000000e-01  4.8938000000e-02 -1.1191670000e+00 -4.8280000000e-01  8.6279500000e-01 -1.4208020000e+00 -1.5016760000e+00  3.2375300000e-01 -4.3936400000e-01  9.1511800000e-01 -1.7772200000e-01  1.1325020000e+00  6.5613900000e-01 -8.0385000000e-02  2.1615800000e-01  9.5724600000e-01  7.1833900000e-01  1.4664660000e+00
-ENERGY -1.526569736041e+02
-FORCES -4.5880000000e-03  3.2540000000e-03  2.7459000000e-03  9.1440000000e-04 -5.1709000000e-03  4.8105000000e-03  4.0981000000e-03 -3.0940000000e-04 -3.8520000000e-03 -4.5411000000e-03  1.6795000000e-03 -8.0526000000e-03  5.6830000000e-03  3.3944000000e-03  6.6250000000e-03 -1.5665000000e-03 -2.8476000000e-03 -2.2768000000e-03
-
-JOB 22
-COORDS  7.3361700000e-01 -3.6424000000e-02  1.1985170000e+00  1.5290310000e+00 -4.9447100000e-01  9.2696300000e-01  3.2975700000e-01 -6.1806600000e-01  1.8425830000e+00 -7.8209000000e-01  4.6949000000e-02 -1.2573720000e+00 -2.4971400000e-01 -7.4873000000e-02 -4.7126300000e-01 -8.5328800000e-01  9.9657300000e-01 -1.3542110000e+00
-ENERGY -1.526615067496e+02
-FORCES  1.4149000000e-03 -3.2110000000e-03  3.2131000000e-03 -5.6788000000e-03  2.0687000000e-03  2.2430000000e-04  2.5203000000e-03  2.6242000000e-03 -3.9473000000e-03  5.3974000000e-03  3.4880000000e-03  1.0204600000e-02 -3.7597000000e-03 -2.2308000000e-03 -9.5655000000e-03  1.0600000000e-04 -2.7391000000e-03 -1.2920000000e-04
-
-JOB 23
-COORDS  4.7317000000e-01  1.1247890000e+00  7.4348100000e-01  4.7356000000e-01  6.1187000000e-01  1.5516550000e+00 -3.1132600000e-01  1.6697250000e+00  8.0547100000e-01 -4.8561100000e-01 -1.1460430000e+00 -8.2994200000e-01  3.5353400000e-01 -1.6056400000e+00 -8.0096400000e-01 -3.5485300000e-01 -3.7287100000e-01 -2.8099900000e-01
-ENERGY -1.526592839796e+02
-FORCES -1.0358000000e-03  2.7779000000e-03  4.4538000000e-03 -1.0688000000e-03  9.8140000000e-04 -6.3556000000e-03  3.5388000000e-03 -5.0910000000e-03 -1.0901000000e-03  7.7033000000e-03  8.1646000000e-03  4.3279000000e-03 -2.8677000000e-03  5.3370000000e-04  3.9290000000e-04 -6.2697000000e-03 -7.3666000000e-03 -1.7289000000e-03
-
-JOB 24
-COORDS  1.2141400000e+00 -4.9243400000e-01 -5.1948200000e-01  1.8982910000e+00  4.1317000000e-02 -1.1540300000e-01  1.2557390000e+00 -2.7171400000e-01 -1.4499570000e+00 -1.3140640000e+00  4.5283600000e-01  5.1960100000e-01 -1.1736900000e+00  5.3865900000e-01  1.4625550000e+00 -4.3947800000e-01  3.0666300000e-01  1.5909600000e-01
-ENERGY -1.526601087894e+02
-FORCES  3.7707000000e-03  5.4420000000e-04 -3.2194000000e-03 -5.3840000000e-03 -1.8688000000e-03 -1.5022000000e-03 -5.9000000000e-04 -2.4900000000e-04  5.6736000000e-03  1.0079000000e-02 -4.8286000000e-03 -1.1740000000e-03  3.7280000000e-04  2.0600000000e-05 -2.9672000000e-03 -8.2485000000e-03  6.3816000000e-03  3.1894000000e-03
-
-JOB 25
-COORDS  8.7750200000e-01  9.9425200000e-01  7.1616600000e-01  1.3902090000e+00  5.9052400000e-01  1.5905000000e-02 -1.9180000000e-03  6.3170000000e-01  6.0935400000e-01 -9.1250000000e-01 -9.2662900000e-01 -6.3730800000e-01 -2.5205400000e-01 -1.5339050000e+00 -3.0375400000e-01 -6.2382000000e-01 -7.2304500000e-01 -1.5269420000e+00
-ENERGY -1.526573984200e+02
-FORCES -6.4733000000e-03 -5.8750000000e-03 -6.3275000000e-03 -4.9880000000e-04  4.1100000000e-04  1.8331000000e-03  5.5455000000e-03  3.5525000000e-03  4.1003000000e-03  3.7342000000e-03 -2.5250000000e-03 -3.1950000000e-03 -2.2649000000e-03  5.0363000000e-03 -1.4942000000e-03 -4.2700000000e-05 -5.9980000000e-04  5.0832000000e-03
-
-JOB 26
-COORDS -6.6587700000e-01 -2.9492600000e-01 -1.1789270000e+00 -1.6499800000e-01 -4.4587100000e-01 -1.9805300000e+00 -1.4355870000e+00 -8.5701100000e-01 -1.2674650000e+00  7.5536900000e-01  3.2858500000e-01  1.2537350000e+00  2.7362600000e-01  5.6208000000e-02  4.7273100000e-01  1.0892000000e-01  7.9441100000e-01  1.7841520000e+00
-ENERGY -1.526617588303e+02
-FORCES  5.7000000000e-05 -2.3750000000e-03 -2.4953000000e-03 -3.3853000000e-03  2.6600000000e-05  3.5824000000e-03  3.7453000000e-03  2.7962000000e-03 -3.9150000000e-04 -7.2653000000e-03 -6.6210000000e-04 -7.6382000000e-03  5.3288000000e-03  1.9203000000e-03  8.4557000000e-03  1.5197000000e-03 -1.7060000000e-03 -1.5131000000e-03
-
-JOB 27
-COORDS -1.3318830000e+00  2.7339300000e-01  6.9759200000e-01 -1.0750600000e+00 -2.6896300000e-01 -4.8145000000e-02 -5.0725500000e-01  4.8747500000e-01  1.1339270000e+00  1.2927510000e+00 -2.2681500000e-01 -6.2602300000e-01  1.0011480000e+00  2.3168400000e-01 -1.4140450000e+00  1.1273450000e+00 -1.1512550000e+00 -8.1117800000e-01
-ENERGY -1.526561823310e+02
-FORCES  1.1241900000e-02 -1.5722000000e-03 -2.7169000000e-03 -3.7479000000e-03 -3.1820000000e-04 -4.5620000000e-04 -5.1783000000e-03  6.6320000000e-04  1.5439000000e-03 -5.3380000000e-04 -8.1330000000e-04 -4.1755000000e-03  9.5000000000e-06 -3.1107000000e-03  4.3401000000e-03 -1.7914000000e-03  5.1512000000e-03  1.4647000000e-03
-
-JOB 28
-COORDS  2.6855900000e-01  3.4286500000e-01  1.3501180000e+00 -3.9985300000e-01  5.7766500000e-01  1.9938000000e+00  6.7843100000e-01 -4.4536600000e-01  1.7063880000e+00 -2.6437800000e-01 -2.7894600000e-01 -1.4622460000e+00 -1.1926600000e-01 -1.2221160000e+00 -1.3873760000e+00 -2.4099400000e-01  3.9831000000e-02 -5.5998900000e-01
-ENERGY -1.526604619383e+02
-FORCES  7.4700000000e-05 -1.9476000000e-03  4.3485000000e-03  3.4550000000e-03 -1.8247000000e-03 -3.2048000000e-03 -2.9130000000e-03  3.4959000000e-03 -2.0267000000e-03  2.0596000000e-03  1.9900000000e-04  1.0312500000e-02 -1.4350000000e-04  2.5622000000e-03  3.6300000000e-05 -2.5328000000e-03 -2.4849000000e-03 -9.4657000000e-03
-
-JOB 29
-COORDS -5.8545700000e-01  2.0101600000e-01 -1.2705020000e+00 -7.6942900000e-01  8.8724200000e-01 -1.9119690000e+00  8.6468000000e-02 -3.4060000000e-01 -1.6845070000e+00  5.8537600000e-01 -1.7892000000e-01  1.3889320000e+00  3.2402700000e-01 -1.0967810000e+00  1.3150350000e+00  3.2617500000e-01  2.1232300000e-01  5.5468100000e-01
-ENERGY -1.526599100127e+02
-FORCES  3.5330000000e-04  8.4770000000e-04 -4.8794000000e-03  1.3450000000e-03 -3.8569000000e-03  2.5475000000e-03 -3.0024000000e-03  3.1129000000e-03  3.8571000000e-03 -6.6987000000e-03 -1.2850000000e-04 -8.0922000000e-03  1.9233000000e-03  2.2543000000e-03  1.5720000000e-04  6.0795000000e-03 -2.2295000000e-03  6.4098000000e-03
-
-JOB 30
-COORDS  8.0557000000e-02  5.2506700000e-01  1.4004050000e+00 -8.8989000000e-02  2.0707400000e-01  5.1363200000e-01 -7.7459500000e-01  8.1326300000e-01  1.7196060000e+00  1.8509000000e-02 -4.8185500000e-01 -1.3227540000e+00  3.4474000000e-01 -1.3048450000e+00 -1.6867480000e+00 -8.6082600000e-01 -3.8914900000e-01 -1.6893700000e+00
-ENERGY -1.526602693516e+02
-FORCES -1.4903000000e-03 -2.9299000000e-03 -8.1937000000e-03 -2.6677000000e-03  4.6448000000e-03  9.3727000000e-03  2.2695000000e-03 -1.2978000000e-03 -2.3474000000e-03  3.6620000000e-04 -4.0567000000e-03 -2.5473000000e-03 -2.5433000000e-03  4.0833000000e-03  2.5230000000e-04  4.0656000000e-03 -4.4370000000e-04  3.4634000000e-03
-
-JOB 31
-COORDS  6.9869000000e-02 -1.0457480000e+00 -9.4160600000e-01 -1.6707800000e-01 -1.8977820000e+00 -5.7537200000e-01 -2.2004400000e-01 -1.0872230000e+00 -1.8529030000e+00 -8.9239000000e-02  1.0790770000e+00  1.0178340000e+00  4.0334200000e-01  1.8997760000e+00  1.0247430000e+00  2.7855600000e-01  5.8459100000e-01  2.8541200000e-01
-ENERGY -1.526606632959e+02
-FORCES -3.7606000000e-03 -2.9111000000e-03 -2.6610000000e-04  1.0541000000e-03  3.1630000000e-03 -3.1135000000e-03  1.2958000000e-03 -6.3550000000e-04  3.9503000000e-03  2.2482000000e-03 -3.9263000000e-03 -5.9738000000e-03 -1.4474000000e-03 -3.2214000000e-03 -1.2576000000e-03  6.0990000000e-04  7.5312000000e-03  6.6607000000e-03
-
-JOB 32
-COORDS  3.6723600000e-01  1.1788850000e+00 -9.2781200000e-01  4.2784000000e-01  7.0432400000e-01 -9.8745000000e-02  2.9384000000e-01  4.9342700000e-01 -1.5918840000e+00 -3.0508600000e-01 -1.0995160000e+00  9.2594800000e-01 -7.7369000000e-01 -1.6853300000e+00  3.3142100000e-01 -9.9559000000e-01 -6.3493800000e-01  1.3988160000e+00
-ENERGY -1.526588537730e+02
-FORCES -2.7080000000e-04 -9.9893000000e-03  4.0323000000e-03  2.3340000000e-04  7.4747000000e-03 -3.0781000000e-03 -3.3660000000e-04  2.5911000000e-03  6.8550000000e-04 -6.1771000000e-03 -1.6157000000e-03 -1.1283000000e-03  2.2966000000e-03  2.9210000000e-03  2.4224000000e-03  4.2545000000e-03 -1.3818000000e-03 -2.9339000000e-03
-
-JOB 33
-COORDS  2.3209100000e-01 -1.3956200000e+00 -4.9874200000e-01  3.5647900000e-01 -4.6219700000e-01 -6.7044300000e-01 -4.4288000000e-02 -1.7595990000e+00 -1.3397930000e+00 -1.7329700000e-01  1.3314440000e+00  5.2429900000e-01 -2.2179800000e-01  2.2470980000e+00  7.9899500000e-01 -1.0097050000e+00  9.5439000000e-01  7.9721500000e-01
-ENERGY -1.526598983478e+02
-FORCES  1.2079000000e-03  5.3086000000e-03 -2.4292000000e-03 -1.4555000000e-03 -8.2124000000e-03 -1.8641000000e-03  6.3520000000e-04  2.0438000000e-03  3.1759000000e-03 -3.2847000000e-03  1.4859000000e-03  3.6304000000e-03 -7.1970000000e-04 -4.1354000000e-03 -5.4630000000e-04  3.6169000000e-03  3.5096000000e-03 -1.9668000000e-03
-
-JOB 34
-COORDS  6.7684500000e-01  1.2551410000e+00 -1.5460900000e-01  1.2880050000e+00  1.9033970000e+00 -5.0458000000e-01  1.8291000000e-01  1.7280470000e+00  5.1518100000e-01 -7.0713200000e-01 -1.3648900000e+00  9.5664000000e-02 -2.0998300000e-01 -5.7721600000e-01 -1.2489300000e-01 -7.7928200000e-01 -1.3437910000e+00  1.0499070000e+00
-ENERGY -1.526601445418e+02
-FORCES  1.4188000000e-03  4.2889000000e-03 -3.8450000000e-04 -3.2257000000e-03 -1.5885000000e-03  2.6783000000e-03  2.5644000000e-03 -3.1019000000e-03 -2.9108000000e-03  5.2209000000e-03  6.5602000000e-03  9.7090000000e-04 -5.7186000000e-03 -6.7688000000e-03  2.5034000000e-03 -2.5970000000e-04  6.1010000000e-04 -2.8573000000e-03
-
-JOB 35
-COORDS -6.0192600000e-01 -2.6810000000e-01  1.3954950000e+00 -1.2763670000e+00 -8.7008800000e-01  1.0808980000e+00 -6.3410000000e-02 -8.7225000000e-02  6.2509400000e-01  5.6789000000e-01  2.4504900000e-01 -1.3655650000e+00  1.5138420000e+00  1.8506000000e-01 -1.2321230000e+00  3.1759300000e-01  1.0667950000e+00 -9.4329000000e-01
-ENERGY -1.526579604520e+02
-FORCES  6.6880000000e-04 -3.7321000000e-03 -9.3107000000e-03  1.7091000000e-03  2.1489000000e-03  2.1589000000e-03 -1.3255000000e-03  5.0029000000e-03  6.6794000000e-03  3.6954000000e-03  4.4600000000e-03 -2.1312000000e-03 -5.7214000000e-03  9.8300000000e-05  8.3040000000e-04  9.7350000000e-04 -7.9779000000e-03  1.7732000000e-03
-
-JOB 36
-COORDS  4.7271100000e-01  8.2264400000e-01  1.1624610000e+00  1.3359400000e+00  1.0351610000e+00  8.0763000000e-01 -1.3248200000e-01  1.3764520000e+00  6.6923700000e-01 -5.2113500000e-01 -9.2484500000e-01 -1.1218160000e+00 -5.2332700000e-01 -1.7234700000e-01 -1.7134020000e+00  1.0867000000e-02 -6.4341500000e-01 -3.7750200000e-01
-ENERGY -1.526574878207e+02
-FORCES  1.5010000000e-04  6.2455000000e-03 -3.6660000000e-04 -5.3877000000e-03 -2.7361000000e-03 -2.8800000000e-05  3.9432000000e-03 -4.2321000000e-03  5.7630000000e-04  3.5432000000e-03  4.9160000000e-03  5.2185000000e-03 -2.2900000000e-05 -1.6520000000e-03  2.9349000000e-03 -2.2259000000e-03 -2.5413000000e-03 -8.3344000000e-03
-
-JOB 37
-COORDS -3.5042000000e-01  3.9811100000e-01  1.3807440000e+00 -4.5829400000e-01 -5.3471700000e-01  1.5662890000e+00 -1.2360790000e+00  7.5732300000e-01  1.4337090000e+00  4.4155900000e-01 -4.1978900000e-01 -1.4116160000e+00  5.2265000000e-01  1.0859800000e-01 -6.1759900000e-01 -2.7963900000e-01 -1.7065000000e-02 -1.8952670000e+00
-ENERGY -1.526598979210e+02
-FORCES -5.1185000000e-03 -3.8131000000e-03  1.4171000000e-03  4.3070000000e-04  5.0934000000e-03 -6.3510000000e-04  3.8526000000e-03 -1.8555000000e-03 -6.2620000000e-04 -3.6363000000e-03  5.9123000000e-03  6.0323000000e-03  2.4440000000e-03 -3.7301000000e-03 -7.5431000000e-03  2.0276000000e-03 -1.6070000000e-03  1.3549000000e-03
-
-JOB 38
-COORDS -9.2779000000e-02 -6.7991200000e-01 -1.2833980000e+00  2.1190900000e-01 -1.0439110000e+00 -2.1146030000e+00 -6.4906700000e-01  5.7655000000e-02 -1.5339400000e+00  1.0675700000e-01  7.2104400000e-01  1.3678480000e+00 -3.7221000000e-02 -8.9785000000e-02  1.8557610000e+00  2.6172200000e-01  4.3511100000e-01  4.6759200000e-01
-ENERGY -1.526598339086e+02
-FORCES -8.7870000000e-04 -2.5300000000e-04 -5.4979000000e-03 -2.5617000000e-03  1.7883000000e-03  3.2789000000e-03  4.7386000000e-03 -3.0319000000e-03  2.7577000000e-03  9.9160000000e-04 -8.0207000000e-03 -4.6977000000e-03  3.9030000000e-04  3.1703000000e-03 -3.3640000000e-04 -2.6801000000e-03  6.3470000000e-03  4.4952000000e-03
-
-JOB 39
-COORDS  1.5832300000e-01 -1.3343790000e+00 -5.6135300000e-01  7.3671700000e-01 -1.7527710000e+00 -1.1990370000e+00 -6.8567900000e-01 -1.7697920000e+00 -6.8096700000e-01 -1.9096600000e-01  1.4119930000e+00  5.6854300000e-01  1.6774400000e-01  1.5877870000e+00  1.4384020000e+00  2.9017500000e-01  6.4365000000e-01  2.6132500000e-01
-ENERGY -1.526606080173e+02
-FORCES -3.5919000000e-03 -3.2868000000e-03 -2.9177000000e-03 -2.8417000000e-03  1.7635000000e-03  2.8668000000e-03  4.6153000000e-03  4.0320000000e-04 -2.6990000000e-04  3.0393000000e-03 -6.6215000000e-03 -4.0010000000e-04 -1.0199000000e-03 -1.1106000000e-03 -3.0062000000e-03 -2.0120000000e-04  8.8522000000e-03  3.7272000000e-03
-
-JOB 40
-COORDS -3.3674000000e-01  1.1867330000e+00  9.5474900000e-01  7.0244000000e-02  4.4076000000e-01  5.1415800000e-01 -2.8666900000e-01  9.7186700000e-01  1.8861760000e+00  3.1562700000e-01 -1.1765850000e+00 -9.3393700000e-01 -4.5865500000e-01 -1.0419510000e+00 -1.4803730000e+00  9.2995400000e-01 -4.9937700000e-01 -1.2171760000e+00
-ENERGY -1.526591310430e+02
-FORCES  1.4097000000e-03 -7.7476000000e-03  5.7480000000e-04  7.1820000000e-04  8.8588000000e-03  1.8788000000e-03 -1.0190000000e-04  7.2400000000e-04 -3.3328000000e-03 -1.9206000000e-03  6.8600000000e-04 -7.0237000000e-03  4.3776000000e-03 -6.7310000000e-04  2.6886000000e-03 -4.4829000000e-03 -1.8482000000e-03  5.2143000000e-03
-
-JOB 41
-COORDS  4.1712100000e-01 -1.3601890000e+00 -4.0974400000e-01 -2.3750100000e-01 -1.8645640000e+00  7.3276000000e-02  6.9990400000e-01 -1.9450200000e+00 -1.1127650000e+00 -3.9792800000e-01  1.4653280000e+00  4.8181600000e-01  2.4143400000e-01  7.8636700000e-01  2.6627100000e-01 -1.0122110000e+00  1.4582410000e+00 -2.5224000000e-01
-ENERGY -1.526601843545e+02
-FORCES -1.4500000000e-03 -5.1056000000e-03 -5.4530000000e-04  3.2058000000e-03  1.8119000000e-03 -3.0270000000e-03 -2.0585000000e-03  2.0749000000e-03  3.2258000000e-03  1.7227000000e-03 -6.4722000000e-03 -5.7541000000e-03 -2.4046000000e-03  6.6881000000e-03  3.3478000000e-03  9.8440000000e-04  1.0029000000e-03  2.7527000000e-03
-
-JOB 42
-COORDS -3.6024000000e-02  6.3750700000e-01 -1.3372960000e+00 -3.3798600000e-01  1.3059620000e+00 -1.9522900000e+00  8.0036700000e-01  3.4130600000e-01 -1.6963880000e+00 -4.6885000000e-02 -6.7893600000e-01  1.4324680000e+00  8.9313400000e-01 -7.0595900000e-01  1.6109780000e+00 -1.1315000000e-01 -3.1491600000e-01  5.4967100000e-01
-ENERGY -1.526598825577e+02
-FORCES  1.6690000000e-04  3.2064000000e-03 -4.7120000000e-03  2.5842000000e-03 -3.1911000000e-03  1.5342000000e-03 -3.8051000000e-03  1.3212000000e-03  2.7914000000e-03  1.7410000000e-03  4.1100000000e-03 -6.0184000000e-03 -2.8040000000e-03 -1.3100000000e-04 -1.1080000000e-03  2.1170000000e-03 -5.3155000000e-03  7.5129000000e-03
-
-JOB 43
-COORDS  1.4310990000e+00 -6.1031100000e-01 -4.4547800000e-01  7.1412900000e-01 -1.1803100000e-01 -4.5671000000e-02  1.0038970000e+00 -1.3541460000e+00 -8.7026000000e-01 -1.3579390000e+00  6.9295300000e-01  4.4672200000e-01 -1.2541960000e+00  9.2766000000e-02  1.1851290000e+00 -1.6879130000e+00  1.4374500000e-01 -2.6441800000e-01
-ENERGY -1.526572016573e+02
-FORCES -6.2772000000e-03  2.1683000000e-03  1.1810000000e-04  5.7327000000e-03 -6.5219000000e-03 -1.1102000000e-03  6.7890000000e-04  2.8242000000e-03  1.8794000000e-03 -5.9378000000e-03 -3.0381000000e-03  9.2980000000e-04  2.0354000000e-03  2.6663000000e-03 -5.4437000000e-03  3.7680000000e-03  1.9012000000e-03  3.6267000000e-03
-
-JOB 44
-COORDS  1.3027510000e+00 -5.4628700000e-01  8.3473300000e-01  7.3550500000e-01 -1.1558700000e-01  1.9523200000e-01  1.2061810000e+00 -2.4233000000e-02  1.6312030000e+00 -1.2022850000e+00  4.6922500000e-01 -8.4216900000e-01 -1.9724260000e+00 -2.5524000000e-02 -5.6228000000e-01 -1.5488100000e+00  1.3189810000e+00 -1.1143220000e+00
-ENERGY -1.526604787329e+02
-FORCES -5.3823000000e-03  4.8440000000e-03 -1.8273000000e-03  7.0159000000e-03 -3.1305000000e-03  4.8897000000e-03  4.7580000000e-04 -1.8749000000e-03 -2.2829000000e-03 -6.1215000000e-03  9.5980000000e-04 -8.6920000000e-04  3.0080000000e-03  3.1551000000e-03 -1.4862000000e-03  1.0040000000e-03 -3.9534000000e-03  1.5759000000e-03
-
-JOB 45
-COORDS  1.5333000000e-02  6.0356800000e-01 -1.5251900000e+00 -2.0682700000e-01  1.2422600000e-01 -7.2699900000e-01 -3.7473900000e-01  8.8077000000e-02 -2.2311250000e+00 -2.8627000000e-02 -5.8273000000e-01  1.4776100000e+00 -2.0565100000e-01  6.4150000000e-02  2.1605750000e+00  9.2137400000e-01 -6.9829500000e-01  1.4969580000e+00
-ENERGY -1.526608672988e+02
-FORCES -2.9622000000e-03 -4.4287000000e-03  3.4481000000e-03  1.6024000000e-03  3.3798000000e-03 -8.9316000000e-03  1.3945000000e-03  1.5721000000e-03  2.7142000000e-03  3.6638000000e-03  2.0381000000e-03  6.0240000000e-03  1.1804000000e-03 -3.2443000000e-03 -2.8306000000e-03 -4.8790000000e-03  6.8310000000e-04 -4.2410000000e-04
-
-JOB 46
-COORDS -1.7805400000e-01  1.2402360000e+00  1.0157210000e+00 -3.4522700000e-01  1.7523190000e+00  1.8069580000e+00 -4.6192400000e-01  3.5381100000e-01  1.2391080000e+00  2.2190900000e-01 -1.2520120000e+00 -1.0163350000e+00 -6.5420600000e-01 -1.0114130000e+00 -1.3176090000e+00  8.0829100000e-01 -9.2704400000e-01 -1.6995510000e+00
-ENERGY -1.526560060502e+02
-FORCES -6.2190000000e-04 -3.4614000000e-03  3.5398000000e-03  8.2500000000e-04 -2.3539000000e-03 -3.3874000000e-03 -1.1176000000e-03  5.4936000000e-03  7.0970000000e-04  2.4910000000e-04  4.4864000000e-03 -4.7865000000e-03  3.1637000000e-03 -1.7519000000e-03  2.0662000000e-03 -2.4983000000e-03 -2.4128000000e-03  1.8583000000e-03
-
-JOB 47
-COORDS -3.6643000000e-02  1.3302380000e+00 -9.8322400000e-01  2.0671300000e-01  1.3541690000e+00 -1.9086630000e+00 -1.9103000000e-02  4.0095200000e-01 -7.5441800000e-01  5.0616000000e-02 -1.2099070000e+00  1.0314190000e+00  4.5165400000e-01 -2.0440810000e+00  1.2754570000e+00 -8.0556800000e-01 -1.4498330000e+00  6.7699300000e-01
-ENERGY -1.526570191498e+02
-FORCES  2.6473000000e-03 -4.7269000000e-03 -2.4580000000e-04 -9.3680000000e-04 -4.3970000000e-04  3.6033000000e-03 -3.4180000000e-03  5.2379000000e-03 -4.9503000000e-03 -1.2675000000e-03 -5.9413000000e-03  3.0957000000e-03 -2.3246000000e-03  3.6033000000e-03 -9.0340000000e-04  5.2996000000e-03  2.2667000000e-03 -5.9950000000e-04
-
-JOB 48
-COORDS -5.9410600000e-01  1.4030230000e+00 -6.0371400000e-01 -1.2776270000e+00  1.0648270000e+00 -2.5221000000e-02 -1.0713530000e+00  1.8094560000e+00 -1.3270950000e+00  6.7122800000e-01 -1.4697280000e+00  6.2657000000e-01 -1.0403600000e-01 -9.1672700000e-01  5.2968700000e-01  1.4086610000e+00 -8.7609900000e-01  4.8504400000e-01
-ENERGY -1.526553837648e+02
-FORCES -5.5948000000e-03  2.2701000000e-03 -2.4065000000e-03  4.7919000000e-03 -1.2867000000e-03 -2.0757000000e-03  1.9922000000e-03 -1.4954000000e-03  3.5062000000e-03  5.5790000000e-04  6.9900000000e-03 -3.3205000000e-03 -4.2500000000e-05 -2.7144000000e-03  2.6678000000e-03 -1.7048000000e-03 -3.7635000000e-03  1.6287000000e-03
-
-JOB 49
-COORDS -1.1296850000e+00 -6.7645000000e-01 -1.0619480000e+00 -3.6607100000e-01 -8.5714800000e-01 -1.6101040000e+00 -1.1410580000e+00 -1.3896390000e+00 -4.2362000000e-01  1.1376840000e+00  6.8912400000e-01  1.0622120000e+00  9.9913500000e-01  1.5901870000e+00  1.3539690000e+00  3.1866500000e-01  4.4846600000e-01  6.2917300000e-01
-ENERGY -1.526591036221e+02
-FORCES  1.4003000000e-03 -6.2823000000e-03 -3.2645000000e-03 -3.7796000000e-03  1.1786000000e-03  3.2806000000e-03  8.4110000000e-04  4.9352000000e-03 -2.0897000000e-03 -5.3167000000e-03  2.8586000000e-03 -1.8684000000e-03  5.3650000000e-04 -3.3527000000e-03 -1.0376000000e-03  6.3184000000e-03  6.6260000000e-04  4.9796000000e-03
-
-JOB 50
-COORDS  6.0929000000e-01 -8.3164900000e-01  1.3345430000e+00  1.3621090000e+00 -9.6828600000e-01  1.9097190000e+00  2.8586900000e-01 -1.7132500000e+00  1.1490410000e+00 -6.7662900000e-01  9.3583300000e-01 -1.3346560000e+00 -6.1951300000e-01  5.2988400000e-01 -2.1996270000e+00  1.5055000000e-02  5.1358100000e-01 -8.2523500000e-01
-ENERGY -1.526579040122e+02
-FORCES  1.5299000000e-03 -4.8813000000e-03  4.2540000000e-03 -3.4481000000e-03  1.6400000000e-04 -2.5126000000e-03  2.0939000000e-03  3.9781000000e-03  2.4660000000e-04  3.8316000000e-03 -3.3662000000e-03  9.5280000000e-04 -2.6510000000e-04  1.1396000000e-03  3.3584000000e-03 -3.7422000000e-03  2.9658000000e-03 -6.2993000000e-03
-
-JOB 51
-COORDS -1.3070490000e+00 -1.0714540000e+00  4.0124400000e-01 -4.2097600000e-01 -1.0516010000e+00  7.6278500000e-01 -1.4865660000e+00 -2.0005150000e+00  2.5684400000e-01  1.2624130000e+00  1.1090960000e+00 -4.7962000000e-01  7.7976100000e-01  1.7773870000e+00  6.8630000000e-03  1.8032240000e+00  6.7544200000e-01  1.8045500000e-01
-ENERGY -1.526533888757e+02
-FORCES  3.8889000000e-03 -3.0954000000e-03 -8.0520000000e-04 -3.6805000000e-03 -6.6550000000e-04  7.2920000000e-04  8.3450000000e-04  3.7894000000e-03  6.3510000000e-04 -5.3200000000e-04  2.4632000000e-03  3.5468000000e-03  2.9022000000e-03 -2.9179000000e-03 -1.7129000000e-03 -3.4132000000e-03  4.2610000000e-04 -2.3929000000e-03
-
-JOB 52
-COORDS  2.3568300000e-01  8.6925400000e-01 -1.5774270000e+00 -4.6675200000e-01  3.4314200000e-01 -1.1952970000e+00  8.6273100000e-01  9.8697300000e-01 -8.6385500000e-01 -1.8297200000e-01 -8.5382200000e-01  1.4727590000e+00 -4.5164100000e-01 -8.2636000000e-02  1.9720800000e+00 -7.8444700000e-01 -1.5433060000e+00  1.7539560000e+00
-ENERGY -1.526572431240e+02
-FORCES  1.9380000000e-04 -4.1049000000e-03  6.2041000000e-03  1.2337000000e-03  3.5765000000e-03 -3.6337000000e-03 -1.8593000000e-03  1.6041000000e-03 -3.3271000000e-03 -3.2774000000e-03 -1.3302000000e-03  5.2740000000e-03  1.3194000000e-03 -3.1051000000e-03 -3.2227000000e-03  2.3899000000e-03  3.3596000000e-03 -1.2946000000e-03
-
-JOB 53
-COORDS -1.4461990000e+00  3.1127800000e-01  1.0118440000e+00 -1.0707910000e+00 -4.7280800000e-01  1.4124810000e+00 -7.3560000000e-01  9.5240200000e-01  1.0273580000e+00  1.3982520000e+00 -3.1397000000e-01 -1.0980990000e+00  1.3895110000e+00 -9.3136800000e-01 -3.6667900000e-01  1.1803220000e+00  5.2993700000e-01 -7.0242100000e-01
-ENERGY -1.526516723536e+02
-FORCES  3.3774000000e-03 -9.1700000000e-04  1.6967000000e-03 -7.9730000000e-04  3.4738000000e-03 -1.9148000000e-03 -1.6161000000e-03 -3.0441000000e-03 -1.0951000000e-03 -2.4083000000e-03  6.8230000000e-04  3.9035000000e-03  1.8550000000e-04  2.7213000000e-03 -2.2996000000e-03  1.2588000000e-03 -2.9163000000e-03 -2.9080000000e-04
-
-JOB 54
-COORDS -1.5039730000e+00  1.9576600000e-01  8.7459200000e-01 -2.3910590000e+00  2.2523900000e-01  1.2329800000e+00 -1.2510960000e+00  1.1145030000e+00  7.8399100000e-01  1.5162510000e+00 -3.0098100000e-01 -9.1999700000e-01  2.4288040000e+00 -1.2088000000e-02 -9.2451200000e-01  1.0631110000e+00  3.4373000000e-01 -3.7663400000e-01
-ENERGY -1.526533754020e+02
-FORCES -4.7779000000e-03  3.1085000000e-03  1.4652000000e-03  3.7837000000e-03 -1.0800000000e-05 -1.4380000000e-03  1.1502000000e-03 -4.4307000000e-03 -2.2500000000e-04  7.6380000000e-04  2.9356000000e-03  3.0919000000e-03 -3.8876000000e-03 -1.1755000000e-03  2.4900000000e-05  2.9678000000e-03 -4.2710000000e-04 -2.9190000000e-03
-
-JOB 55
-COORDS -6.1566900000e-01 -1.6248960000e+00  6.2367100000e-01 -1.1575720000e+00 -2.0227270000e+00 -5.7727000000e-02 -4.9827500000e-01 -7.1876800000e-01  3.3839400000e-01  6.1505400000e-01  1.5742590000e+00 -5.0564400000e-01  5.9118400000e-01  1.0933380000e+00 -1.3329150000e+00  1.0436880000e+00  2.4023910000e+00 -7.2175400000e-01
-ENERGY -1.526563772640e+02
-FORCES -1.4360000000e-03  3.5449000000e-03 -2.5430000000e-03  2.4477000000e-03  1.7454000000e-03  2.2242000000e-03 -1.5473000000e-03 -6.7471000000e-03 -3.3170000000e-04  3.4828000000e-03  3.9111000000e-03 -4.0808000000e-03 -1.2235000000e-03  1.1153000000e-03  4.4879000000e-03 -1.7236000000e-03 -3.5696000000e-03  2.4340000000e-04
-
-JOB 56
-COORDS  1.1843390000e+00 -1.2203100000e+00 -5.1979700000e-01  2.0247410000e+00 -7.7394900000e-01 -4.1626300000e-01  1.2413380000e+00 -1.6435700000e+00 -1.3764380000e+00 -1.2004980000e+00  1.1764960000e+00  5.2096700000e-01 -1.8973890000e+00  1.7860530000e+00  2.7803600000e-01 -1.0584760000e+00  1.3340070000e+00  1.4543760000e+00
-ENERGY -1.526521837149e+02
-FORCES  2.7443000000e-03  1.3207000000e-03 -3.4197000000e-03 -3.0875000000e-03 -2.1546000000e-03 -6.9700000000e-05 -1.7990000000e-04  1.4931000000e-03  3.4895000000e-03 -2.0177000000e-03  2.3332000000e-03  3.2603000000e-03  3.0609000000e-03 -2.7579000000e-03  6.2810000000e-04 -5.2010000000e-04 -2.3450000000e-04 -3.8885000000e-03
-
-JOB 57
-COORDS  1.4339600000e-01  1.5003810000e+00 -1.1471320000e+00  5.5360800000e-01  1.4191990000e+00 -2.8610500000e-01 -6.4292200000e-01  9.5749200000e-01 -1.0904920000e+00 -9.2167000000e-02 -1.3958980000e+00  1.0952830000e+00  2.8858200000e-01 -2.2327860000e+00  1.3615150000e+00 -9.7495600000e-01 -1.6173460000e+00  7.9884200000e-01
-ENERGY -1.526560307578e+02
-FORCES -7.4250000000e-04 -4.3765000000e-03  5.1710000000e-03 -1.3335000000e-03  2.5068000000e-03 -4.1373000000e-03  1.7025000000e-03  2.5075000000e-03 -1.1685000000e-03 -1.3624000000e-03 -5.8922000000e-03  4.0140000000e-04 -1.9309000000e-03  3.4329000000e-03 -9.8170000000e-04  3.6668000000e-03  1.8215000000e-03  7.1500000000e-04
-
-JOB 58
-COORDS  4.2105000000e-01 -1.7875230000e+00  1.0685600000e-01  1.8136600000e-01 -1.3628820000e+00 -7.1683400000e-01  1.3470270000e+00 -2.0067640000e+00  3.2670000000e-03 -4.7960300000e-01  1.7611110000e+00  1.2268000000e-02  4.0481900000e-01  1.7203370000e+00 -3.5155700000e-01 -1.0287480000e+00  2.0358100000e+00 -7.2204300000e-01
-ENERGY -1.526529527783e+02
-FORCES  1.5777000000e-03  1.4253000000e-03 -3.3179000000e-03  1.9399000000e-03 -2.4528000000e-03  2.4598000000e-03 -3.7324000000e-03  1.4468000000e-03  3.9710000000e-04  1.6062000000e-03  1.6363000000e-03 -3.1435000000e-03 -3.8580000000e-03 -1.3590000000e-04  6.8140000000e-04  2.4667000000e-03 -1.9197000000e-03  2.9231000000e-03
-
-JOB 59
-COORDS -5.1480000000e-01 -1.2945810000e+00 -1.1037920000e+00 -9.6099000000e-02 -2.1474410000e+00 -1.2202010000e+00 -1.0347110000e+00 -1.1720600000e+00 -1.8980930000e+00  5.0084500000e-01  1.3116470000e+00  1.2137440000e+00  1.1901880000e+00  9.7416800000e-01  6.4177700000e-01  1.5085100000e-01  2.0699740000e+00  7.4611400000e-01
-ENERGY -1.526539320020e+02
-FORCES -1.4518000000e-03 -3.6749000000e-03 -3.3264000000e-03 -1.4285000000e-03  3.9206000000e-03  4.7330000000e-04  2.3762000000e-03 -2.1400000000e-04  3.3549000000e-03  2.6520000000e-04 -3.9580000000e-04 -5.8916000000e-03 -1.2040000000e-03  2.6275000000e-03  3.2757000000e-03  1.4429000000e-03 -2.2634000000e-03  2.1140000000e-03
-
-JOB 60
-COORDS  1.0826730000e+00 -6.3829400000e-01 -1.4059720000e+00  1.0221240000e+00  2.2870000000e-03 -2.1146480000e+00  1.0557960000e+00 -1.1398100000e-01 -6.0559400000e-01 -1.0517840000e+00  5.2463700000e-01  1.4517830000e+00 -1.3937750000e+00  2.7304200000e-01  5.9389400000e-01 -1.1348780000e+00  1.4779860000e+00  1.4730850000e+00
-ENERGY -1.526561613820e+02
-FORCES  1.2488000000e-03  4.3326000000e-03  1.2739000000e-03 -4.0310000000e-04 -2.4793000000e-03  3.1273000000e-03 -1.7240000000e-04 -2.1398000000e-03 -5.6284000000e-03 -4.2755000000e-03  2.2542000000e-03 -2.1435000000e-03  2.5889000000e-03  2.2277000000e-03  4.0089000000e-03  1.0133000000e-03 -4.1955000000e-03 -6.3820000000e-04
-
-JOB 61
-COORDS -5.7869000000e-02 -1.2999700000e+00 -1.3680470000e+00  5.9011700000e-01 -6.3060700000e-01 -1.1482770000e+00 -2.4279800000e-01 -1.1592600000e+00 -2.2966120000e+00  1.7152000000e-02  1.2804340000e+00  1.4697250000e+00  7.2737000000e-01  6.8564500000e-01  1.2287920000e+00 -4.5800800000e-01  1.4303420000e+00  6.5242300000e-01
-ENERGY -1.526531277560e+02
-FORCES  2.0313000000e-03  2.0772000000e-03 -4.2078000000e-03 -3.1550000000e-03 -1.8495000000e-03  6.7490000000e-04  6.9730000000e-04 -4.3020000000e-04  4.2897000000e-03 -4.1690000000e-04 -2.8395000000e-03 -3.5698000000e-03 -2.2977000000e-03  2.9306000000e-03 -3.3310000000e-04  3.1410000000e-03  1.1140000000e-04  3.1461000000e-03
-
-JOB 62
-COORDS  8.4304000000e-02  1.6478650000e+00 -1.1244740000e+00 -4.7995300000e-01  9.2826600000e-01 -8.4159100000e-01  7.7830500000e-01  1.6817200000e+00 -4.6610700000e-01 -9.6838000000e-02 -1.6284090000e+00  1.0071200000e+00 -6.3156500000e-01 -9.5247700000e-01  1.4235530000e+00  4.8293400000e-01 -1.9382560000e+00  1.7028870000e+00
-ENERGY -1.526549553607e+02
-FORCES  1.3789000000e-03 -4.5687000000e-03  3.2282000000e-03  1.0368000000e-03  4.4959000000e-03 -5.2540000000e-04 -2.9562000000e-03  8.5880000000e-04 -2.2637000000e-03  4.0640000000e-04 -5.1280000000e-04  5.7201000000e-03  2.7314000000e-03 -1.7859000000e-03 -3.2259000000e-03 -2.5973000000e-03  1.5127000000e-03 -2.9334000000e-03
-
-JOB 63
-COORDS -1.3754670000e+00 -2.2468900000e-01  1.4349230000e+00 -1.6657950000e+00 -5.1285800000e-01  5.6953300000e-01 -1.3732080000e+00  7.3100900000e-01  1.3813720000e+00  1.3414700000e+00  2.2800900000e-01 -1.3810160000e+00  1.2794440000e+00 -6.9714300000e-01 -1.1433630000e+00  2.2694560000e+00  3.6517800000e-01 -1.5714350000e+00
-ENERGY -1.526553501045e+02
-FORCES -5.7480000000e-04  3.9157000000e-03 -4.4307000000e-03  1.0698000000e-03  1.8150000000e-04  3.7078000000e-03 -8.3100000000e-04 -3.8892000000e-03  1.0363000000e-03  4.1772000000e-03 -3.3854000000e-03  8.5800000000e-04 -8.5800000000e-05  3.7451000000e-03 -1.8983000000e-03 -3.7553000000e-03 -5.6770000000e-04  7.2680000000e-04
-
-JOB 64
-COORDS -6.5293000000e-01  2.2195400000e-01 -1.8219790000e+00 -9.6728900000e-01  1.6852300000e-01 -2.7245060000e+00 -1.2927200000e-01 -5.7041200000e-01 -1.7029400000e+00  6.9113500000e-01 -1.3102700000e-01  1.8398430000e+00 -2.1321300000e-01 -2.1186600000e-01  1.5367710000e+00  7.4225400000e-01 -7.1066000000e-01  2.5998720000e+00
-ENERGY -1.526552739282e+02
-FORCES  1.7696000000e-03 -2.9851000000e-03 -3.8943000000e-03  1.3628000000e-03  1.2950000000e-04  3.6967000000e-03 -3.3091000000e-03  2.9984000000e-03 -5.3610000000e-04 -4.1093000000e-03 -1.5622000000e-03  1.9822000000e-03  4.4382000000e-03 -8.4370000000e-04  2.0066000000e-03 -1.5220000000e-04  2.2631000000e-03 -3.2550000000e-03
-
-JOB 65
-COORDS -7.6301400000e-01 -5.4789000000e-02  1.8212140000e+00  1.5992100000e-01  1.2930600000e-01  1.6464780000e+00 -7.7445800000e-01 -3.9669800000e-01  2.7151930000e+00  7.6488700000e-01  3.6519000000e-02 -1.8325280000e+00 -8.2386000000e-02  2.8080400000e-01 -1.4601230000e+00  6.9598400000e-01  2.6885900000e-01 -2.7585420000e+00
-ENERGY -1.526562455150e+02
-FORCES  4.0970000000e-03 -1.2606000000e-03  3.6004000000e-03 -4.7001000000e-03 -3.7740000000e-04  8.2940000000e-04  1.3820000000e-04  1.4965000000e-03 -3.4449000000e-03 -4.4406000000e-03  1.5751000000e-03 -2.5835000000e-03  4.6786000000e-03 -4.8270000000e-04 -2.0409000000e-03  2.2690000000e-04 -9.5090000000e-04  3.6394000000e-03
-
-JOB 66
-COORDS -3.4627200000e-01 -1.9635400000e+00  4.2810000000e-01 -9.2460000000e-02 -1.8809140000e+00  1.3473300000e+00  4.5153300000e-01 -1.7606100000e+00 -6.0326000000e-02  2.4565300000e-01  1.9476970000e+00 -4.0126900000e-01  6.3178800000e-01  1.1872500000e+00 -8.3584000000e-01  6.4215500000e-01  2.7011130000e+00 -8.3874300000e-01
-ENERGY -1.526532985085e+02
-FORCES  3.8107000000e-03  1.3147000000e-03  2.7927000000e-03 -8.7570000000e-04 -9.3480000000e-04 -3.9691000000e-03 -3.1749000000e-03  2.2200000000e-05  1.2192000000e-03  2.4103000000e-03  3.6500000000e-05 -4.0186000000e-03 -4.9690000000e-04  2.7938000000e-03  2.0371000000e-03 -1.6734000000e-03 -3.2324000000e-03  1.9388000000e-03
-
-JOB 67
-COORDS  1.2674700000e-01  1.2579130000e+00 -1.6296080000e+00  8.0559000000e-02  2.0290750000e+00 -1.0644470000e+00  5.6400200000e-01  5.9477600000e-01 -1.0954840000e+00 -1.2735300000e-01 -1.2093370000e+00  1.5505010000e+00 -9.4143300000e-01 -1.6852250000e+00  1.3860710000e+00  3.5691600000e-01 -1.7658020000e+00  2.1604690000e+00
-ENERGY -1.526567415225e+02
-FORCES  1.5168000000e-03 -3.8540000000e-04  5.7857000000e-03  1.6240000000e-04 -2.4184000000e-03 -2.6686000000e-03 -1.2088000000e-03  3.5337000000e-03 -4.0446000000e-03 -2.0709000000e-03 -4.8584000000e-03  2.5509000000e-03  3.6814000000e-03  1.8085000000e-03  9.6880000000e-04 -2.0809000000e-03  2.3201000000e-03 -2.5922000000e-03
-
-JOB 68
-COORDS -9.1738400000e-01 -4.5406400000e-01  1.9384180000e+00 -1.1302470000e+00  4.7563800000e-01  1.8573250000e+00 -1.0173200000e-01 -5.5715800000e-01  1.4481980000e+00  8.6419600000e-01  3.4481300000e-01 -1.9221010000e+00  3.8152000000e-01  1.1656880000e+00 -1.8250390000e+00  1.7726290000e+00  5.7626000000e-01 -1.7286760000e+00
-ENERGY -1.526546152599e+02
-FORCES  2.5669000000e-03  2.7802000000e-03 -3.3605000000e-03  8.2290000000e-04 -3.3898000000e-03  4.4410000000e-04 -3.2437000000e-03  7.6150000000e-04  3.4277000000e-03  1.8747000000e-03  4.5597000000e-03 -7.4680000000e-04  2.1323000000e-03 -3.5797000000e-03  3.6820000000e-04 -4.1532000000e-03 -1.1318000000e-03 -1.3260000000e-04
-
-JOB 69
-COORDS  5.4746900000e-01  1.4766610000e+00 -1.5451930000e+00  1.4733700000e+00  1.6385610000e+00 -1.3642850000e+00  3.9991700000e-01  5.7671300000e-01 -1.2544140000e+00 -5.7486100000e-01 -1.4565430000e+00  1.5835480000e+00 -1.3810560000e+00 -1.0454590000e+00  1.2716310000e+00 -2.0085000000e-02 -1.5174120000e+00  8.0589100000e-01
-ENERGY -1.526530167796e+02
-FORCES  3.7929000000e-03 -2.2974000000e-03  1.9652000000e-03 -4.0132000000e-03 -8.7320000000e-04 -9.4750000000e-04  1.0130000000e-04  2.8154000000e-03 -8.1820000000e-04 -1.7726000000e-03  1.0935000000e-03 -3.6790000000e-03  3.8942000000e-03 -1.9585000000e-03  1.0136000000e-03 -2.0026000000e-03  1.2202000000e-03  2.4659000000e-03
-
-JOB 70
-COORDS -3.8229600000e-01 -2.1694790000e+00  6.6241500000e-01 -2.7231700000e-01 -2.8303470000e+00 -2.1245000000e-02  4.3420200000e-01 -1.6701510000e+00  6.4709000000e-01  3.3872200000e-01  2.1235720000e+00 -5.9114400000e-01  3.6548000000e-02  2.9500680000e+00 -2.1454400000e-01  4.8526000000e-01  2.3207540000e+00 -1.5162800000e+00
-ENERGY -1.526545762099e+02
-FORCES  3.8424000000e-03  5.8760000000e-04 -3.0464000000e-03 -4.8510000000e-04  2.4354000000e-03  2.6831000000e-03 -3.0593000000e-03 -3.2931000000e-03  3.8980000000e-04 -1.3453000000e-03  4.4403000000e-03 -2.1255000000e-03  1.4392000000e-03 -3.2590000000e-03 -1.6836000000e-03 -3.9190000000e-04 -9.1110000000e-04  3.7828000000e-03
-
-JOB 71
-COORDS -1.1562160000e+00  9.4671600000e-01  1.7662350000e+00 -1.4212600000e+00  1.7994430000e+00  1.4215030000e+00 -1.8682690000e+00  3.5638600000e-01  1.5198170000e+00  1.1434690000e+00 -9.7895100000e-01 -1.7365140000e+00  1.8975600000e+00 -1.4961710000e+00 -2.0194660000e+00  1.5229030000e+00 -1.7207800000e-01 -1.3883520000e+00
-ENERGY -1.526546458086e+02
-FORCES -4.3012000000e-03  4.1890000000e-04 -2.6514000000e-03  1.3438000000e-03 -3.3278000000e-03  1.3787000000e-03  2.6435000000e-03  2.7762000000e-03  1.4284000000e-03  4.6456000000e-03  1.3372000000e-03  1.0340000000e-03 -3.0504000000e-03  2.0586000000e-03  1.0521000000e-03 -1.2813000000e-03 -3.2630000000e-03 -2.2419000000e-03
-
-JOB 72
-COORDS -6.2609100000e-01 -1.2978900000e-01 -2.5245810000e+00  3.0259000000e-01 -1.8778100000e-01 -2.3000380000e+00 -1.0790390000e+00 -1.5904000000e-01 -1.6818390000e+00  5.5440800000e-01  1.2525900000e-01  2.4156680000e+00  1.3422930000e+00  6.6738600000e-01  2.3760620000e+00  5.6886100000e-01 -2.5532000000e-01  3.2938380000e+00
-ENERGY -1.526552078049e+02
-FORCES  1.8750000000e-03 -4.5810000000e-04  5.0796000000e-03 -3.4613000000e-03  3.3840000000e-04 -1.3781000000e-03  1.5425000000e-03  1.3840000000e-04 -4.0889000000e-03  3.2486000000e-03  7.0660000000e-04  4.1161000000e-03 -3.2394000000e-03 -2.3552000000e-03 -1.0070000000e-04  3.4700000000e-05  1.6298000000e-03 -3.6280000000e-03
-
-JOB 73
-COORDS -1.0856020000e+00 -2.1763050000e+00 -1.1089930000e+00 -4.5401200000e-01 -2.3667030000e+00 -4.1539700000e-01 -1.2796870000e+00 -1.2444810000e+00 -1.0076600000e+00  1.0326530000e+00  2.1018740000e+00  1.0067130000e+00  1.9156480000e+00  2.4553770000e+00  1.1143570000e+00  6.2314400000e-01  2.2136950000e+00  1.8646350000e+00
-ENERGY -1.526550520293e+02
-FORCES  2.2332000000e-03  3.6763000000e-03  3.2025000000e-03 -2.6786000000e-03  2.5410000000e-04 -2.6957000000e-03  2.1610000000e-04 -4.2136000000e-03 -5.1460000000e-04  2.3279000000e-03  2.5159000000e-03  3.9375000000e-03 -3.6943000000e-03 -1.4914000000e-03 -3.1130000000e-04  1.5957000000e-03 -7.4130000000e-04 -3.6185000000e-03
-
-JOB 74
-COORDS -1.9141700000e-01  1.9985960000e+00 -1.6501660000e+00 -2.7085500000e-01  2.5146750000e+00 -2.4524030000e+00 -4.8746400000e-01  1.1227060000e+00 -1.8979670000e+00  2.0771800000e-01 -2.0122020000e+00  1.7724080000e+00  2.7013500000e-01 -2.3789290000e+00  8.9045100000e-01  2.2771100000e-01 -1.0643910000e+00  1.6401740000e+00
-ENERGY -1.526543158352e+02
-FORCES -1.6992000000e-03 -8.0160000000e-04 -4.7911000000e-03  3.1160000000e-04 -2.2339000000e-03  3.2926000000e-03  1.4810000000e-03  3.2160000000e-03  1.5265000000e-03  6.1580000000e-04  2.7206000000e-03 -3.8438000000e-03 -4.5000000000e-04  1.4671000000e-03  3.3702000000e-03 -2.5920000000e-04 -4.3682000000e-03  4.4550000000e-04
-
-JOB 75
-COORDS  7.5462300000e-01  1.5384410000e+00 -2.1007400000e+00  4.2466900000e-01  6.8067200000e-01 -1.8331710000e+00  1.4272400000e+00  1.7494970000e+00 -1.4532270000e+00 -7.9142900000e-01 -1.4358360000e+00  2.0498960000e+00 -1.7524000000e-01 -1.8799820000e+00  2.6323720000e+00 -1.0878460000e+00 -2.1188160000e+00  1.4483090000e+00
-ENERGY -1.526545410754e+02
-FORCES  1.0547000000e-03 -2.5675000000e-03  4.4115000000e-03  1.4694000000e-03  3.2696000000e-03 -1.7077000000e-03 -2.4161000000e-03 -7.5690000000e-04 -2.9145000000e-03  8.2160000000e-04 -4.9082000000e-03  6.3030000000e-04 -2.4495000000e-03  1.9121000000e-03 -2.5888000000e-03  1.5199000000e-03  3.0510000000e-03  2.1693000000e-03
-
-JOB 76
-COORDS -7.5042100000e-01  2.3918920000e+00 -8.4492700000e-01 -1.0744680000e+00  3.1641290000e+00 -3.8138200000e-01 -3.8112300000e-01  2.7372560000e+00 -1.6576840000e+00  6.8511900000e-01 -2.4691490000e+00  8.9146200000e-01  1.5129420000e+00 -2.3328800000e+00  1.3523020000e+00  9.0298900000e-01 -2.3515150000e+00 -3.3160000000e-02
-ENERGY -1.526538623736e+02
-FORCES -1.3500000000e-04  4.6096000000e-03 -1.1531000000e-03  1.4016000000e-03 -3.0775000000e-03 -2.0024000000e-03 -1.3660000000e-03 -1.5749000000e-03  3.3010000000e-03  3.9556000000e-03  1.8280000000e-03 -2.0996000000e-03 -3.2393000000e-03 -7.7960000000e-04 -1.7617000000e-03 -6.1680000000e-04 -1.0057000000e-03  3.7158000000e-03
-
-JOB 77
-COORDS -1.2128800000e-01  1.4482200000e-01 -2.9446040000e+00  7.7375000000e-02  2.8624100000e-01 -2.0189870000e+00 -9.9766100000e-01 -2.4014500000e-01 -2.9458690000e+00  1.9255500000e-01 -8.2919000000e-02  2.9205300000e+00  3.2979400000e-01 -3.8240500000e-01  2.0218050000e+00 -5.1494800000e-01 -6.3572500000e-01  3.2523070000e+00
-ENERGY -1.526535101526e+02
-FORCES -2.8551000000e-03 -6.0340000000e-04  3.4415000000e-03 -8.0430000000e-04 -1.0186000000e-03 -3.4815000000e-03  3.7112000000e-03  1.4697000000e-03  1.9270000000e-04 -2.1651000000e-03 -3.7124000000e-03 -1.7852000000e-03 -7.9420000000e-04  1.5114000000e-03  3.1826000000e-03  2.9075000000e-03  2.3534000000e-03 -1.5501000000e-03
-
-JOB 78
-COORDS  1.6809700000e-01  2.7410330000e+00  8.7056500000e-01  7.6203400000e-01  3.2125450000e+00  1.4546430000e+00  6.1098100000e-01  2.7471040000e+00  2.2008000000e-02 -2.3991500000e-01 -2.7376890000e+00 -8.0071400000e-01  3.7896700000e-01 -3.4525440000e+00 -9.4971000000e-01 -6.2704300000e-01 -2.5723200000e+00 -1.6603750000e+00
-ENERGY -1.526536409265e+02
-FORCES  4.3014000000e-03  1.4489000000e-03 -1.0404000000e-03 -2.4345000000e-03 -1.8086000000e-03 -2.3737000000e-03 -1.8275000000e-03  2.6450000000e-04  3.3574000000e-03  7.3440000000e-04 -2.1605000000e-03 -3.9858000000e-03 -2.4738000000e-03  2.9581000000e-03  6.0900000000e-04  1.7000000000e-03 -7.0240000000e-04  3.4335000000e-03
-
-JOB 79
-COORDS -1.1855600000e-01 -1.4440390000e+00 -2.5995230000e+00  6.7617900000e-01 -1.8640550000e+00 -2.2705630000e+00 -4.9528100000e-01 -1.0102950000e+00 -1.8339020000e+00  8.3485000000e-02  1.4518740000e+00  2.5971150000e+00  8.6404700000e-01  1.5748740000e+00  2.0569070000e+00 -5.9842500000e-01  1.1917120000e+00  1.9778040000e+00
-ENERGY -1.526535326929e+02
-FORCES  1.6773000000e-03 -4.0670000000e-04  4.2381000000e-03 -3.3169000000e-03  1.9657000000e-03 -1.2790000000e-03  1.6355000000e-03 -1.4001000000e-03 -2.8931000000e-03  3.7350000000e-04 -3.5300000000e-05 -4.4127000000e-03 -3.3439000000e-03 -8.2910000000e-04  2.0858000000e-03  2.9744000000e-03  7.0550000000e-04  2.2608000000e-03
-
-JOB 80
-COORDS -6.2534400000e-01 -1.5617120000e+00  2.5017750000e+00 -1.4390650000e+00 -1.8004650000e+00  2.0578310000e+00  6.6619000000e-02 -1.8830320000e+00  1.9236980000e+00  6.0983000000e-01  1.6402960000e+00 -2.4092320000e+00  1.3146900000e+00  1.0267330000e+00 -2.2020010000e+00  3.1186100000e-01  1.3781860000e+00 -3.2802910000e+00
-ENERGY -1.526537968196e+02
-FORCES -6.5990000000e-04 -1.9552000000e-03 -4.2716000000e-03  3.3574000000e-03  7.6970000000e-04  1.8743000000e-03 -2.6775000000e-03  1.1892000000e-03  2.3149000000e-03  1.7931000000e-03 -3.2664000000e-03 -2.7444000000e-03 -2.9896000000e-03  2.2944000000e-03 -8.2300000000e-04  1.1765000000e-03  9.6830000000e-04  3.6498000000e-03
-
-JOB 81
-COORDS  4.4434700000e-01 -2.8196190000e+00  6.6548300000e-01  7.7562400000e-01 -3.0764730000e+00  1.5260140000e+00  1.5546300000e-01 -3.6396110000e+00  2.6499500000e-01 -4.1729500000e-01  2.8346400000e+00 -7.3072600000e-01 -2.5982500000e-01  2.9662000000e+00  2.0422100000e-01 -1.1188310000e+00  3.4496580000e+00 -9.4480900000e-01
-ENERGY -1.526536069347e+02
-FORCES  1.6780000000e-04 -4.3315000000e-03  1.6167000000e-03 -1.3727000000e-03  1.1214000000e-03 -3.4426000000e-03  1.1825000000e-03  3.2932000000e-03  1.7166000000e-03 -2.1880000000e-03  2.5820000000e-03  3.1165000000e-03 -6.4270000000e-04 -2.1150000000e-04 -3.8148000000e-03  2.8531000000e-03 -2.4535000000e-03  8.0760000000e-04
-
-JOB 82
-COORDS -7.9345900000e-01  2.8836690000e+00  1.0802440000e+00 -4.3205100000e-01  3.1952330000e+00  2.5045900000e-01 -3.2742200000e-01  2.0656030000e+00  1.2528980000e+00  7.2471700000e-01 -2.8996600000e+00 -1.0820990000e+00  8.1010100000e-01 -2.9309180000e+00 -1.2922800000e-01  1.0372070000e+00 -2.0274460000e+00 -1.3225650000e+00
-ENERGY -1.526535619549e+02
-FORCES  3.1770000000e-03 -1.8397000000e-03 -2.6643000000e-03 -1.3829000000e-03 -1.4433000000e-03  3.4389000000e-03 -1.7476000000e-03  3.1684000000e-03 -8.0970000000e-04  1.6233000000e-03  3.0771000000e-03  2.8121000000e-03 -3.3740000000e-04  3.8350000000e-04 -3.9380000000e-03 -1.3324000000e-03 -3.3460000000e-03  1.1610000000e-03
-
-JOB 83
-COORDS -4.0155000000e-01 -2.3724970000e+00  2.1426870000e+00 -5.1858000000e-02 -2.4975020000e+00  3.0249120000e+00 -3.2895600000e-01 -3.2338190000e+00  1.7314860000e+00  4.3523000000e-01  2.4313670000e+00 -2.1364160000e+00  2.6191000000e-02  3.1362350000e+00 -2.6384910000e+00 -1.6853500000e-01  1.6936320000e+00 -2.2227120000e+00
-ENERGY -1.526540980267e+02
-FORCES  1.9379000000e-03 -3.9115000000e-03  2.0469000000e-03 -1.5002000000e-03  4.1730000000e-04 -3.5872000000e-03 -3.8590000000e-04  3.5197000000e-03  1.6007000000e-03 -4.2423000000e-03 -3.5740000000e-04 -2.0646000000e-03  1.6996000000e-03 -2.8154000000e-03  1.9900000000e-03  2.4909000000e-03  3.1473000000e-03  1.4100000000e-05
-
-JOB 84
-COORDS  4.1631000000e-01  1.0948630000e+00  3.1424110000e+00  1.3126000000e+00  1.1064630000e+00  3.4782120000e+00 -8.4461000000e-02  1.6071620000e+00  3.7772420000e+00 -4.7111500000e-01 -1.1269010000e+00 -3.2621020000e+00 -8.9490700000e-01 -1.1741870000e+00 -2.4051330000e+00  4.6380600000e-01 -1.0704430000e+00 -3.0647020000e+00
-ENERGY -1.526545210192e+02
-FORCES  1.5667000000e-03  2.2768000000e-03  4.1334000000e-03 -3.6462000000e-03 -9.7000000000e-05 -1.4468000000e-03  2.0734000000e-03 -2.1207000000e-03 -2.5941000000e-03  2.0630000000e-03  2.0210000000e-04  4.5984000000e-03  1.6406000000e-03  4.6500000000e-05 -3.7023000000e-03 -3.6976000000e-03 -3.0780000000e-04 -9.8870000000e-04
-
-JOB 85
-COORDS  8.7611600000e-01 -2.1973110000e+00 -2.7367010000e+00  7.9344000000e-02 -2.6332220000e+00 -3.0389710000e+00  6.5157200000e-01 -1.2668750000e+00 -2.7266480000e+00 -7.7786100000e-01  2.1796450000e+00  2.8043280000e+00 -7.9335400000e-01  2.6763630000e+00  1.9862430000e+00 -1.4650440000e+00  1.5217330000e+00  2.6986730000e+00
-ENERGY -1.526538296903e+02
-FORCES -4.0318000000e-03  1.9429000000e-03 -1.2552000000e-03  3.2206000000e-03  1.8434000000e-03  1.2894000000e-03  8.0330000000e-04 -3.7577000000e-03  8.2000000000e-06 -2.8045000000e-03 -7.0130000000e-04 -3.6345000000e-03  3.7200000000e-05 -2.0678000000e-03  3.2497000000e-03  2.7753000000e-03  2.7405000000e-03  3.4250000000e-04
-
-JOB 86
-COORDS -1.4129620000e+00  2.9235800000e+00 -1.5214480000e+00 -1.3316790000e+00  3.4647100000e+00 -7.3607900000e-01 -2.3543680000e+00  2.7791610000e+00 -1.6170020000e+00  1.4291830000e+00 -2.9091820000e+00  1.4372800000e+00  1.2990080000e+00 -3.8374830000e+00  1.6310430000e+00  2.1597170000e+00 -2.6472180000e+00  1.9975700000e+00
-ENERGY -1.526538307042e+02
-FORCES -3.4502000000e-03  1.3045000000e-03  2.9505000000e-03 -3.4110000000e-04 -2.0632000000e-03 -3.2370000000e-03  3.7884000000e-03  7.1140000000e-04  3.2780000000e-04  2.5138000000e-03 -2.6446000000e-03  2.9418000000e-03  4.9440000000e-04  3.7858000000e-03 -7.6580000000e-04 -3.0053000000e-03 -1.0938000000e-03 -2.2172000000e-03
-
-JOB 87
-COORDS -1.3026600000e+00  3.0384350000e+00 -2.3239340000e+00 -1.3189160000e+00  3.4846210000e+00 -1.4772420000e+00 -1.8267840000e+00  3.5958820000e+00 -2.8990670000e+00  1.3461120000e+00 -3.1169850000e+00  2.3652860000e+00  5.0375100000e-01 -2.8036630000e+00  2.0359100000e+00  1.9377450000e+00 -3.0471560000e+00  1.6160690000e+00
-ENERGY -1.526543081447e+02
-FORCES -2.2195000000e-03  4.2247000000e-03  1.0365000000e-03  7.1000000000e-05 -1.9041000000e-03 -3.4346000000e-03  2.1366000000e-03 -2.2905000000e-03  2.3633000000e-03 -1.0397000000e-03  1.6055000000e-03 -4.5264000000e-03  3.4128000000e-03 -1.3041000000e-03  1.4476000000e-03 -2.3613000000e-03 -3.3140000000e-04  3.1136000000e-03
-
-JOB 88
-COORDS  1.2885900000e-01 -4.1172220000e+00  4.4841370000e+00 -4.9997000000e-01 -3.9987440000e+00  5.1960140000e+00  9.8135300000e-01 -4.1425290000e+00  4.9187010000e+00 -1.1207200000e-01  4.0706300000e+00 -4.5945000000e+00 -3.4671100000e-01  3.8677530000e+00 -3.6889520000e+00 -3.9082200000e-01  4.9780990000e+00 -4.7170960000e+00
-ENERGY -1.526540712781e+02
-FORCES  9.2860000000e-04  3.4000000000e-04  4.6723000000e-03  2.5601000000e-03 -4.6310000000e-04 -2.9079000000e-03 -3.4867000000e-03  1.1910000000e-04 -1.7675000000e-03 -2.1010000000e-03  2.8234000000e-03  3.2160000000e-03  9.5820000000e-04  8.6820000000e-04 -3.7055000000e-03  1.1408000000e-03 -3.6876000000e-03  4.9260000000e-04
-
-JOB 89
-COORDS  2.7498680000e+00  5.3157900000e+00  4.1657290000e+00  2.1474520000e+00  4.8396950000e+00  4.7372710000e+00  2.7197340000e+00  4.8399920000e+00  3.3357050000e+00 -2.7024300000e+00 -5.2273350000e+00 -4.2081550000e+00 -2.3158260000e+00 -6.0715460000e+00 -3.9756070000e+00 -3.3242430000e+00 -5.0458590000e+00 -3.5034230000e+00
-ENERGY -1.526540720960e+02
-FORCES -2.5770000000e-03 -3.8751000000e-03 -1.0739000000e-03  2.4555000000e-03  1.9373000000e-03 -2.3234000000e-03  1.2060000000e-04  1.9364000000e-03  3.3997000000e-03 -9.7770000000e-04 -2.7342000000e-03  3.7931000000e-03 -1.5719000000e-03  3.4580000000e-03 -9.3510000000e-04  2.5505000000e-03 -7.2240000000e-04 -2.8604000000e-03
-
-JOB 0
-COORDS -2.5612200000e-01  1.2559670000e+00 -1.4492200000e-01  3.2518700000e-01  1.0577700000e+00 -8.7910900000e-01 -1.5169500000e-01  2.1968640000e+00 -3.3550000000e-03  2.5161100000e-01 -1.3339700000e+00  2.1679800000e-01 -3.0027800000e-01 -1.5946070000e+00 -5.2057500000e-01  1.3096400000e-01 -3.8677300000e-01  2.8382600000e-01
-ENERGY -1.526567095608e+02
-FORCES  2.9635000000e-03 -3.2543000000e-03  1.2840000000e-03 -3.6345000000e-03 -2.2268000000e-03  6.8216000000e-03  1.4400000000e-05 -4.6376000000e-03 -2.7902000000e-03 -6.9039000000e-03  1.2675100000e-02  4.7780000000e-04  2.7361000000e-03  1.8028000000e-03  1.0645000000e-03  4.8244000000e-03 -4.3592000000e-03 -6.8578000000e-03
-
-JOB 1
-COORDS -5.8597100000e-01 -4.6189000000e-02  1.2425170000e+00  1.5089800000e-01 -1.8818000000e-01  1.8367330000e+00 -1.8015700000e-01  1.0602900000e-01  3.8906700000e-01  5.0857400000e-01  9.0130000000e-02 -1.1785860000e+00  1.1355980000e+00 -6.3091100000e-01 -1.2349130000e+00 -1.2456000000e-02  1.8101000000e-02 -1.9783190000e+00
-ENERGY -1.526591466164e+02
-FORCES  8.0297000000e-03  2.0272000000e-03 -1.5137800000e-02 -9.7680000000e-04 -2.6170000000e-04 -3.2610000000e-03 -2.4551000000e-03 -1.2156000000e-03  9.3360000000e-03 -4.8601000000e-03 -3.8166000000e-03  4.9517000000e-03 -3.5372000000e-03  3.8389000000e-03  5.6220000000e-04  3.7995000000e-03 -5.7210000000e-04  3.5490000000e-03
-
-JOB 2
-COORDS -1.1997220000e+00 -1.9135100000e-01  6.6746100000e-01 -8.5593600000e-01  1.7269200000e-01  1.4832520000e+00 -4.6966700000e-01 -1.3109200000e-01  5.1328000000e-02  1.1070550000e+00  1.8511600000e-01 -6.2359100000e-01  8.2185900000e-01  3.5685500000e-01 -1.5210330000e+00  1.8858870000e+00 -3.6293100000e-01 -7.2000400000e-01
-ENERGY -1.526581366341e+02
-FORCES  1.7351500000e-02  3.1464000000e-03 -4.5854000000e-03 -1.5295000000e-03 -1.2720000000e-03 -1.1560000000e-03 -8.3321000000e-03  6.1760000000e-04 -2.4128000000e-03 -3.4197000000e-03 -3.4736000000e-03  2.2583000000e-03 -4.6650000000e-04 -2.8090000000e-03  6.5061000000e-03 -3.6036000000e-03  3.7906000000e-03 -6.1010000000e-04
-
-JOB 3
-COORDS -9.8690500000e-01  8.4190300000e-01  7.5291000000e-02 -9.1239000000e-01  1.7718690000e+00 -1.3881700000e-01 -1.1591960000e+00  8.2543900000e-01  1.0167140000e+00  1.0051000000e+00 -9.6137800000e-01 -1.3283500000e-01  1.6330960000e+00 -3.0669200000e-01  1.7251800000e-01  1.6722800000e-01 -4.9901000000e-01 -1.5327300000e-01
-ENERGY -1.526583301717e+02
-FORCES  5.9043000000e-03 -8.8040000000e-04  2.4950000000e-04 -5.1300000000e-04 -4.1289000000e-03  2.8786000000e-03  2.3717000000e-03  7.5300000000e-05 -5.3495000000e-03 -1.0197100000e-02  1.3939200000e-02  4.2700000000e-04 -7.9790000000e-04 -1.7727000000e-03 -2.7910000000e-04  3.2320000000e-03 -7.2325000000e-03  2.0735000000e-03
-
-JOB 4
-COORDS  1.0661800000e-01  1.2048140000e+00  4.6592800000e-01  2.3228700000e-01  1.7821920000e+00  1.2189710000e+00 -4.0336000000e-02  1.7988840000e+00 -2.7008700000e-01 -1.5835000000e-01 -1.3139280000e+00 -4.8507500000e-01  7.6658400000e-01 -1.5578510000e+00 -5.2014600000e-01 -1.5730300000e-01 -4.1580000000e-01 -1.5402100000e-01
-ENERGY -1.526596234224e+02
-FORCES -8.9160000000e-04 -3.7824000000e-03  3.3560000000e-04 -1.6430000000e-04 -7.0330000000e-04 -5.0385000000e-03  8.0680000000e-04 -3.5852000000e-03  4.3241000000e-03  4.2615000000e-03  1.2053700000e-02  6.9084000000e-03 -2.3282000000e-03  5.5860000000e-04 -5.9600000000e-05 -1.6842000000e-03 -4.5414000000e-03 -6.4700000000e-03
-
-JOB 5
-COORDS  4.4054600000e-01 -1.2419240000e+00  1.0557800000e-01  5.1463000000e-02 -1.7523870000e+00  8.1570100000e-01  2.5389100000e-01 -1.7488840000e+00 -6.8460100000e-01 -3.9777200000e-01  1.3649380000e+00 -9.9569000000e-02 -1.2409230000e+00  9.2492100000e-01 -2.0779300000e-01  2.2918500000e-01  6.5352500000e-01  3.0997000000e-02
-ENERGY -1.526586494307e+02
-FORCES -3.6401000000e-03  1.7186000000e-03 -7.1300000000e-04  9.9870000000e-04  2.1477000000e-03 -4.4158000000e-03 -1.9440000000e-04  2.1725000000e-03  4.5388000000e-03  2.2287000000e-03 -1.5652400000e-02  1.0474000000e-03  4.6140000000e-04  2.1598000000e-03 -1.0930000000e-04  1.4570000000e-04  7.4537000000e-03 -3.4810000000e-04
-
-JOB 6
-COORDS  7.0287400000e-01  8.4614500000e-01 -7.4530500000e-01  5.6025700000e-01  6.6465100000e-01 -1.6742570000e+00  2.9782600000e-01  1.7016630000e+00 -6.0298200000e-01 -7.0639400000e-01 -8.8167000000e-01  8.4677000000e-01 -1.8498600000e-01 -2.4113400000e-01  3.6295100000e-01 -5.8290800000e-01 -1.7017910000e+00  3.6887400000e-01
-ENERGY -1.526599825755e+02
-FORCES -4.5593000000e-03 -8.1900000000e-04 -1.2207000000e-03  4.7670000000e-04  1.0695000000e-03  4.9659000000e-03  1.3961000000e-03 -5.7888000000e-03 -5.9900000000e-04  9.7865000000e-03  7.2668000000e-03 -1.0225400000e-02 -6.6952000000e-03 -4.1850000000e-03  6.5963000000e-03 -4.0490000000e-04  2.4565000000e-03  4.8280000000e-04
-
-JOB 7
-COORDS  1.7229900000e-01  1.2985890000e+00 -9.8453000000e-02 -3.2692600000e-01  1.6253420000e+00  6.5003800000e-01  7.3593300000e-01  2.0305660000e+00 -3.4897200000e-01 -2.3327800000e-01 -1.3810550000e+00  8.6808000000e-02  4.1552000000e-02 -4.6619500000e-01  2.5723000000e-02  5.4841600000e-01 -1.8824590000e+00 -1.4510000000e-01
-ENERGY -1.526601276279e+02
-FORCES  1.5300000000e-04 -2.4307000000e-03  7.8110000000e-04  3.5302000000e-03 -1.7724000000e-03 -4.1531000000e-03 -3.5546000000e-03 -2.1965000000e-03  2.2403000000e-03  4.9649000000e-03  1.1850500000e-02 -2.7740000000e-03 -3.3633000000e-03 -7.6868000000e-03  3.5791000000e-03 -1.7303000000e-03  2.2360000000e-03  3.2670000000e-04
-
-JOB 8
-COORDS  7.2280800000e-01 -1.2085120000e+00 -8.7602000000e-02  1.5420200000e-01 -4.8104800000e-01  1.6481800000e-01  1.1996600000e-01 -1.9088510000e+00 -3.3727900000e-01 -6.1995200000e-01  1.2148380000e+00  2.5358000000e-02 -3.1674000000e-01  1.3459180000e+00  9.2375300000e-01 -1.5308390000e+00  9.3561700000e-01  1.1783100000e-01
-ENERGY -1.526557634089e+02
-FORCES -7.9969000000e-03  1.0608100000e-02 -2.2708000000e-03  2.7093000000e-03 -7.9623000000e-03  6.0238000000e-03  8.0290000000e-04  3.3711000000e-03  1.0302000000e-03 -1.2634000000e-03  1.0665000000e-03  1.6410000000e-03 -9.3150000000e-04 -5.5494000000e-03 -6.1438000000e-03  6.6796000000e-03 -1.5340000000e-03 -2.8030000000e-04
-
-JOB 9
-COORDS -1.1710690000e+00  7.1234700000e-01  3.1284000000e-01 -1.4315830000e+00  1.4608690000e+00 -2.2389000000e-01 -4.1333700000e-01  3.4362800000e-01 -1.4116500000e-01  1.1082960000e+00 -6.8386700000e-01 -2.3428100000e-01  1.9068840000e+00 -7.2000300000e-01 -7.6076400000e-01  9.2495600000e-01 -1.5970060000e+00 -1.3382000000e-02
-ENERGY -1.526603795246e+02
-FORCES  1.0035400000e-02 -3.7879000000e-03 -3.8507000000e-03  2.2849000000e-03 -2.5579000000e-03  8.5860000000e-04 -9.0076000000e-03  3.6708000000e-03  1.4096000000e-03 -1.6023000000e-03 -9.6260000000e-04  9.0160000000e-04 -3.6533000000e-03 -8.7980000000e-04  2.7505000000e-03  1.9430000000e-03  4.5174000000e-03 -2.0696000000e-03
-
-JOB 10
-COORDS  4.0028200000e-01 -3.0372400000e-01 -1.3269780000e+00  1.5487000000e-02 -3.8089100000e-01 -4.5393200000e-01  1.2012370000e+00 -8.2601700000e-01 -1.2832420000e+00 -3.6808900000e-01  3.3053800000e-01  1.2333870000e+00 -9.6228000000e-01  1.0808670000e+00  1.2466140000e+00 -7.3875500000e-01 -2.8037500000e-01  1.8702720000e+00
-ENERGY -1.526597541712e+02
-FORCES -1.1606000000e-03  2.0243000000e-03  1.2998100000e-02  1.3473000000e-03 -4.3849000000e-03 -8.8212000000e-03 -2.6762000000e-03  1.1832000000e-03  7.2830000000e-04 -1.9344000000e-03  3.1639000000e-03 -1.5477000000e-03  2.4418000000e-03 -4.5942000000e-03  1.1752000000e-03  1.9821000000e-03  2.6077000000e-03 -4.5326000000e-03
-
-JOB 11
-COORDS  7.6629300000e-01 -1.3129700000e-01 -1.1893210000e+00  1.2652520000e+00  6.8229700000e-01 -1.2623720000e+00  2.6088800000e-01 -3.1256000000e-02 -3.8260500000e-01 -7.0963800000e-01  8.8520000000e-02  1.1109260000e+00 -1.5730150000e+00  4.9426500000e-01  1.0322950000e+00 -8.0984300000e-01 -5.5490300000e-01  1.8124940000e+00
-ENERGY -1.526612843878e+02
-FORCES -5.6606000000e-03  2.4124000000e-03  1.1865900000e-02 -2.1128000000e-03 -1.8940000000e-03  8.1190000000e-04  4.6235000000e-03  4.6260000000e-04 -8.6704000000e-03  3.0000000000e-06 -2.5615000000e-03 -2.3288000000e-03  4.3171000000e-03 -2.3968000000e-03  1.1817000000e-03 -1.1702000000e-03  3.9772000000e-03 -2.8604000000e-03
-
-JOB 12
-COORDS  6.6769800000e-01  1.3571500000e-01  1.2346950000e+00  1.1334530000e+00 -6.3706800000e-01  1.5542400000e+00  3.9185500000e-01 -9.9587000000e-02  3.4881900000e-01 -6.3446200000e-01 -9.1947000000e-02 -1.1494550000e+00 -4.4801100000e-01  4.0561200000e-01 -1.9456350000e+00 -1.5671270000e+00 -2.9896300000e-01 -1.2087160000e+00
-ENERGY -1.526606589518e+02
-FORCES -4.9746000000e-03 -2.3081000000e-03 -1.0443100000e-02 -2.1941000000e-03  1.7526000000e-03 -2.3525000000e-03  5.9390000000e-03 -2.5620000000e-04  7.7673000000e-03 -9.8330000000e-04  2.1618000000e-03  3.4220000000e-03 -2.0639000000e-03 -2.6646000000e-03  3.3793000000e-03  4.2770000000e-03  1.3144000000e-03 -1.7730000000e-03
-
-JOB 13
-COORDS -8.5801800000e-01 -8.5087400000e-01  5.4774800000e-01 -1.5027840000e+00 -6.1948400000e-01  1.2163040000e+00 -1.3247810000e+00 -1.4443460000e+00 -4.0601000000e-02  9.4216900000e-01  9.0245200000e-01 -6.0443000000e-01  1.3594550000e+00  8.8805300000e-01  2.5690500000e-01  1.7580100000e-01  3.3688800000e-01 -5.0930400000e-01
-ENERGY -1.526592668529e+02
-FORCES -1.1638000000e-03  1.6827000000e-03  4.1830000000e-04  3.1364000000e-03 -2.0845000000e-03 -3.3253000000e-03  2.4844000000e-03  4.6347000000e-03  2.4016000000e-03 -7.7385000000e-03 -9.3307000000e-03  9.4478000000e-03  1.5430000000e-04  1.7008000000e-03 -2.1844000000e-03  3.1272000000e-03  3.3969000000e-03 -6.7580000000e-03
-
-JOB 14
-COORDS -5.3998400000e-01  7.6969200000e-01 -1.0598650000e+00 -2.6645800000e-01  1.4808700000e-01 -3.8531200000e-01 -1.3377570000e+00  3.8932000000e-01 -1.4274350000e+00  5.9590300000e-01 -7.2681600000e-01  9.7697600000e-01  1.0217050000e+00 -1.9788500000e-01  1.6516290000e+00 -2.3673200000e-01 -9.9046200000e-01  1.3686910000e+00
-ENERGY -1.526589272144e+02
-FORCES  5.6905000000e-03 -7.7295000000e-03  7.5686000000e-03 -9.1213000000e-03  3.8910000000e-03 -5.7568000000e-03  2.7693000000e-03 -2.2540000000e-04  3.1991000000e-03  2.0670000000e-04  4.1941000000e-03  3.0719000000e-03 -2.7170000000e-03 -3.6682000000e-03 -2.6422000000e-03  3.1718000000e-03  3.5380000000e-03 -5.4405000000e-03
-
-JOB 15
-COORDS  1.1277290000e+00 -4.7404300000e-01  5.3115200000e-01  1.8551830000e+00 -7.8059300000e-01 -1.0207000000e-02  9.9688000000e-01 -1.1708620000e+00  1.1742340000e+00 -1.1909870000e+00  5.0690100000e-01 -5.9617500000e-01 -3.9208200000e-01  2.1220200000e-01 -1.5898700000e-01 -1.5117790000e+00  1.2253810000e+00 -5.1097000000e-02
-ENERGY -1.526615643329e+02
-FORCES -1.2982000000e-03 -2.2081000000e-03 -2.6794000000e-03 -3.2322000000e-03  4.2750000000e-04  3.8578000000e-03  1.1738000000e-03  3.4436000000e-03 -3.5423000000e-03  1.1122800000e-02 -2.6711000000e-03  6.2263000000e-03 -9.3920000000e-03  3.5812000000e-03 -3.1490000000e-03  1.6259000000e-03 -2.5732000000e-03 -7.1340000000e-04
-
-JOB 16
-COORDS -3.5439000000e-01 -3.7732800000e-01  1.2295520000e+00 -1.3359100000e-01  9.9462000000e-02  2.0296460000e+00 -3.0705500000e-01 -1.3001570000e+00  1.4793070000e+00  3.7602000000e-01  4.1413200000e-01 -1.3419210000e+00 -4.9140500000e-01  7.6952600000e-01 -1.1482730000e+00  5.6666300000e-01 -1.6779400000e-01 -6.0622400000e-01
-ENERGY -1.526585120295e+02
-FORCES  9.1490000000e-04  9.8940000000e-04  1.9292000000e-03 -1.4724000000e-03 -2.9284000000e-03 -3.7062000000e-03  1.1929000000e-03  4.9922000000e-03 -2.3275000000e-03 -6.1801000000e-03 -2.5290000000e-03  1.3207200000e-02  1.8427000000e-03  1.0066000000e-03 -3.3094000000e-03  3.7021000000e-03 -1.5308000000e-03 -5.7933000000e-03
-
-JOB 17
-COORDS  1.3778660000e+00  3.2503600000e-01 -3.7761000000e-02  1.9224200000e+00  1.4426100000e-01 -8.0392900000e-01  5.1772200000e-01 -2.7434000000e-02 -2.6612100000e-01 -1.3352660000e+00 -2.6829700000e-01  3.1094000000e-02 -1.6098430000e+00 -1.1736100000e+00  1.7686300000e-01 -1.4690490000e+00  1.6199800000e-01  8.7559400000e-01
-ENERGY -1.526614809926e+02
-FORCES -1.0382100000e-02 -2.7554000000e-03 -2.4540000000e-03 -3.2578000000e-03 -4.6530000000e-04  1.9040000000e-03  1.1147800000e-02  1.7438000000e-03  1.5600000000e-04  2.7200000000e-04  2.4440000000e-04  5.4310000000e-03  2.0189000000e-03  4.5130000000e-03 -5.5990000000e-04  2.0110000000e-04 -3.2805000000e-03 -4.4771000000e-03
-
-JOB 18
-COORDS -4.0513900000e-01  1.0789390000e+00  7.2281000000e-01 -2.8741600000e-01  1.9210640000e+00  2.8326700000e-01 -1.3539970000e+00  9.7880400000e-01  7.9945000000e-01  4.0006400000e-01 -1.1373950000e+00 -7.3735900000e-01  1.2542000000e+00 -1.5692000000e+00 -7.5244700000e-01  5.0610400000e-01 -4.1737700000e-01 -1.1561800000e-01
-ENERGY -1.526607977352e+02
-FORCES -4.5973000000e-03 -8.1750000000e-04 -4.0383000000e-03 -6.4940000000e-04 -4.0026000000e-03  2.0601000000e-03  4.2972000000e-03  2.2459000000e-03  4.8700000000e-05 -1.1622000000e-03  7.4403000000e-03  6.1498000000e-03 -2.5361000000e-03  3.2143000000e-03  1.1402000000e-03  4.6478000000e-03 -8.0804000000e-03 -5.3605000000e-03
-
-JOB 19
-COORDS -1.1562900000e+00 -2.3652800000e-01  6.8777600000e-01 -1.6753820000e+00  1.5213500000e-01 -1.6295000000e-02 -1.4369100000e+00  2.2702400000e-01  1.4768290000e+00  1.2544900000e+00  1.8366800000e-01 -6.5048200000e-01  1.2555240000e+00  3.9280200000e-01 -1.5845560000e+00  3.3286800000e-01  3.5205000000e-02 -4.3881400000e-01
-ENERGY -1.526568204555e+02
-FORCES  2.3950000000e-04  4.3950000000e-03  3.3419000000e-03  7.4614000000e-03 -1.6296000000e-03  1.5777000000e-03 -4.4910000000e-04 -2.6003000000e-03 -4.2042000000e-03 -8.1806000000e-03 -2.2991000000e-03  4.8303000000e-03 -2.5907000000e-03 -6.8220000000e-04  3.8118000000e-03  3.5196000000e-03  2.8162000000e-03 -9.3575000000e-03
-
-JOB 20
-COORDS  6.6308000000e-02  2.8086600000e-01  1.3067790000e+00 -2.2788300000e-01  1.1555710000e+00  1.5608960000e+00  6.8906300000e-01  2.9539000000e-02  1.9888660000e+00 -9.0659000000e-02 -3.7088200000e-01 -1.4057230000e+00 -5.4755000000e-02  5.6573500000e-01 -1.5998640000e+00 -3.6867000000e-02 -4.2037700000e-01 -4.5131800000e-01
-ENERGY -1.526597233653e+02
-FORCES  5.0100000000e-04  1.8882000000e-03 -1.1405000000e-03  2.4111000000e-03 -3.9417000000e-03 -5.6440000000e-04 -3.2713000000e-03  2.0406000000e-03 -2.9775000000e-03  1.3197000000e-03  5.7622000000e-03  1.2234800000e-02 -5.9850000000e-04 -2.0151000000e-03 -4.0030000000e-04 -3.6200000000e-04 -3.7342000000e-03 -7.1521000000e-03
-
-JOB 21
-COORDS  6.2426400000e-01  3.2863300000e-01  1.2557700000e+00  1.0859440000e+00 -4.3687100000e-01  1.5979500000e+00  2.7501300000e-01  4.1026000000e-02  4.1224200000e-01 -5.7878800000e-01 -2.3723800000e-01 -1.1920940000e+00 -8.3195500000e-01 -8.9482000000e-02 -2.1033060000e+00 -1.1872270000e+00 -9.0681400000e-01 -8.7952300000e-01
-ENERGY -1.526591540709e+02
-FORCES -1.5507000000e-03 -2.1289000000e-03 -9.5845000000e-03 -2.4509000000e-03  1.7008000000e-03 -1.9931000000e-03  4.7240000000e-04 -2.6554000000e-03  9.0202000000e-03 -6.4790000000e-04  1.8823000000e-03 -9.4800000000e-04 -6.0860000000e-04 -2.3166000000e-03  4.0930000000e-03  4.7858000000e-03  3.5178000000e-03 -5.8750000000e-04
-
-JOB 22
-COORDS  9.2161300000e-01  8.6333200000e-01 -4.8861600000e-01  1.3990910000e+00  7.3775800000e-01 -1.3086630000e+00  1.5314790000e+00  1.3412520000e+00  7.3424000000e-02 -9.8041300000e-01 -9.2319100000e-01  5.5598200000e-01 -2.9992900000e-01 -3.3302800000e-01  2.3213100000e-01 -1.7067720000e+00 -8.1146300000e-01 -5.7331000000e-02
-ENERGY -1.526615536899e+02
-FORCES  1.8541000000e-03 -1.1987000000e-03  2.7330000000e-04 -1.7107000000e-03  1.6583000000e-03  4.1910000000e-03 -2.2659000000e-03 -2.4135000000e-03 -3.7584000000e-03  6.2394000000e-03  8.4862000000e-03 -6.1931000000e-03 -6.3760000000e-03 -6.0544000000e-03  4.2361000000e-03  2.2592000000e-03 -4.7790000000e-04  1.2511000000e-03
-
-JOB 23
-COORDS  1.8982800000e-01  3.0068600000e-01 -1.3410630000e+00 -2.6835700000e-01  1.0408030000e+00 -1.7392140000e+00  1.0541050000e+00  6.4581700000e-01 -1.1171430000e+00 -2.2293400000e-01 -3.8537600000e-01  1.4135400000e+00  5.1576500000e-01 -6.3918700000e-01  8.6024400000e-01 -7.3444600000e-01  2.1448700000e-01  8.7063000000e-01
-ENERGY -1.526553866932e+02
-FORCES  1.7827000000e-03  3.5405000000e-03  2.0500000000e-05  1.5986000000e-03 -3.4077000000e-03  3.4243000000e-03 -4.5801000000e-03 -3.1632000000e-03  1.0041000000e-03  2.7100000000e-04  1.5293000000e-03 -1.3347200000e-02  2.0254000000e-03  6.3970000000e-04  3.6252000000e-03 -1.0976000000e-03  8.6150000000e-04  5.2732000000e-03
-
-JOB 24
-COORDS  7.0521600000e-01 -8.9899800000e-01 -9.2618600000e-01  4.6171100000e-01 -4.6296600000e-01 -1.7427730000e+00  2.1318600000e-01 -4.3370200000e-01 -2.4969700000e-01 -6.2853200000e-01  7.9215800000e-01  9.5080500000e-01 -3.5948700000e-01  1.7098610000e+00  9.9163100000e-01 -1.5045970000e+00  8.1580400000e-01  5.6586100000e-01
-ENERGY -1.526600124189e+02
-FORCES -5.1787000000e-03  8.4648000000e-03  6.3530000000e-03  1.3730000000e-04 -9.0510000000e-04  2.6605000000e-03  1.8866000000e-03 -6.8991000000e-03 -7.7368000000e-03 -2.3040000000e-04  4.3307000000e-03 -8.4900000000e-04 -2.6773000000e-03 -4.2859000000e-03 -5.1760000000e-04  6.0626000000e-03 -7.0540000000e-04  8.9800000000e-05
-
-JOB 25
-COORDS -1.8510200000e-01  6.4688600000e-01 -1.1679200000e+00 -8.3389800000e-01  7.5451700000e-01 -1.8634130000e+00  6.0903200000e-01  1.0526870000e+00 -1.5156410000e+00  2.2840200000e-01 -6.6129400000e-01  1.2738270000e+00 -1.6170000000e-03 -3.4598600000e-01  3.9981100000e-01 -4.4526900000e-01 -1.3092190000e+00  1.4802040000e+00
-ENERGY -1.526610812505e+02
-FORCES  1.0415000000e-03  4.6610000000e-04 -1.9890000000e-04  3.7977000000e-03  2.2570000000e-04  2.3837000000e-03 -4.7117000000e-03 -1.7118000000e-03  4.9650000000e-04 -3.9967000000e-03  3.5051000000e-03 -9.3786000000e-03  2.4394000000e-03 -4.6967000000e-03  8.1633000000e-03  1.4297000000e-03  2.2116000000e-03 -1.4660000000e-03
-
-JOB 26
-COORDS  1.1739810000e+00 -9.5662000000e-02 -8.7236200000e-01  1.4641400000e+00 -9.9864200000e-01 -1.0014620000e+00  4.7288000000e-01 -1.5928000000e-01 -2.2379300000e-01 -1.1282930000e+00  9.1949000000e-02  8.2395000000e-01 -9.6677500000e-01  5.0525500000e-01  1.6720790000e+00 -1.6328220000e+00  7.4059200000e-01  3.3308900000e-01
-ENERGY -1.526622729882e+02
-FORCES -7.9460000000e-03 -2.5122000000e-03  6.4934000000e-03 -1.4527000000e-03  2.6173000000e-03  1.0702000000e-03  9.0438000000e-03  7.7000000000e-05 -6.7448000000e-03 -1.8860000000e-03  4.7427000000e-03  6.5180000000e-04 -7.4520000000e-04 -1.7676000000e-03 -4.6683000000e-03  2.9860000000e-03 -3.1572000000e-03  3.1977000000e-03
-
-JOB 27
-COORDS  6.5849000000e-01  8.2923700000e-01  1.0206790000e+00  2.4327000000e-02  9.2725600000e-01  1.7309340000e+00  3.2347900000e-01  1.0013400000e-01  4.9875200000e-01 -5.8283400000e-01 -7.9752900000e-01 -9.6607800000e-01 -6.3880200000e-01 -1.4999160000e+00 -1.6139610000e+00 -8.3095300000e-01 -7.6340000000e-03 -1.4464260000e+00
-ENERGY -1.526613755603e+02
-FORCES -4.6752000000e-03 -7.2923000000e-03 -3.0212000000e-03  1.6147000000e-03 -2.5790000000e-04 -2.7001000000e-03  2.2827000000e-03  7.6647000000e-03  4.9119000000e-03  3.8300000000e-04  4.6880000000e-04 -3.3731000000e-03 -7.6940000000e-04  4.1946000000e-03  1.6890000000e-03  1.1642000000e-03 -4.7779000000e-03  2.4935000000e-03
-
-JOB 28
-COORDS  7.9036700000e-01  8.8832600000e-01  8.9591900000e-01  1.4973570000e+00  2.5015900000e-01  9.9152200000e-01  9.3768000000e-02  4.0931200000e-01  4.4700200000e-01 -8.3961700000e-01 -7.8169800000e-01 -8.3776600000e-01 -1.5140400000e-01 -4.6114200000e-01 -1.4207230000e+00 -7.4923200000e-01 -1.7343410000e+00 -8.6084700000e-01
-ENERGY -1.526593016588e+02
-FORCES -5.3409000000e-03 -8.6304000000e-03 -2.7355000000e-03 -1.8853000000e-03  2.0198000000e-03 -1.1580000000e-03  7.1421000000e-03  6.5627000000e-03  8.6940000000e-04  2.3302000000e-03 -3.5578000000e-03 -2.9316000000e-03 -2.6892000000e-03 -1.2468000000e-03  6.4258000000e-03  4.4310000000e-04  4.8525000000e-03 -4.7000000000e-04
-
-JOB 29
-COORDS -6.0375800000e-01  6.7362700000e-01 -1.0999960000e+00  2.9702300000e-01  9.7619000000e-01 -1.2152400000e+00 -1.0950090000e+00  1.4632660000e+00 -8.7333600000e-01  6.0440700000e-01 -7.9148100000e-01  1.1137770000e+00  7.5244500000e-01  7.4562000000e-02  1.4936280000e+00  2.3808000000e-02 -6.3118900000e-01  3.6984000000e-01
-ENERGY -1.526592084844e+02
-FORCES  1.6492000000e-03  4.8111000000e-03 -2.2700000000e-05 -4.9446000000e-03 -1.8528000000e-03  2.5092000000e-03  3.3896000000e-03 -3.5009000000e-03 -6.1380000000e-04 -6.4189000000e-03  6.8211000000e-03 -5.9024000000e-03  6.0690000000e-04 -2.1847000000e-03 -1.1711000000e-03  5.7177000000e-03 -4.0938000000e-03  5.2008000000e-03
-
-JOB 30
-COORDS  1.9341800000e-01  1.3028230000e+00  6.4285100000e-01 -3.4975900000e-01  1.9985330000e+00  2.7247600000e-01  3.2396900000e-01  6.8953500000e-01 -8.0381000000e-02 -2.0173600000e-01 -1.2855130000e+00 -6.3735600000e-01  7.2804700000e-01 -1.3454820000e+00 -4.1795200000e-01 -6.5412400000e-01 -1.5880880000e+00  1.5006000000e-01
-ENERGY -1.526578591756e+02
-FORCES -4.1173000000e-03 -4.5481000000e-03 -7.4245000000e-03  1.7018000000e-03 -2.5752000000e-03  1.3289000000e-03  5.4944000000e-03  4.3812000000e-03  4.5177000000e-03 -4.6960000000e-04 -2.3762000000e-03  7.3664000000e-03 -4.9034000000e-03  4.9299000000e-03 -1.2970000000e-03  2.2941000000e-03  1.8830000000e-04 -4.4916000000e-03
-
-JOB 31
-COORDS -3.3790900000e-01  1.1912720000e+00 -6.0433900000e-01  1.8428100000e-01  1.8556700000e+00 -1.0539240000e+00 -1.1579590000e+00  1.1567810000e+00 -1.0968430000e+00  3.3812600000e-01 -1.2641300000e+00  7.1246600000e-01  1.0871140000e+00 -1.3646800000e+00  1.2498100000e-01 -1.4527600000e-01 -5.1722500000e-01  3.5935400000e-01
-ENERGY -1.526594477311e+02
-FORCES  1.8687000000e-03  1.7107000000e-03 -1.9533000000e-03 -3.4530000000e-03 -2.7758000000e-03  9.5210000000e-04  4.5420000000e-03 -7.4560000000e-04  2.7993000000e-03  5.8900000000e-04  1.0033800000e-02 -6.9938000000e-03 -1.3201000000e-03 -8.7600000000e-04  2.0353000000e-03 -2.2266000000e-03 -7.3471000000e-03  3.1604000000e-03
-
-JOB 32
-COORDS  6.9700700000e-01 -4.1335600000e-01  1.1499280000e+00  6.9461100000e-01 -9.9252600000e-01  1.9120220000e+00  1.3417760000e+00 -7.9945100000e-01  5.5710700000e-01 -7.9406000000e-01  4.9202400000e-01 -1.1785620000e+00 -5.2536500000e-01  1.7584600000e-01 -3.1596900000e-01 -7.9560000000e-03  4.1250700000e-01 -1.7188860000e+00
-ENERGY -1.526591465477e+02
-FORCES  2.1153000000e-03 -3.7736000000e-03  1.6605000000e-03  1.1921000000e-03  2.4596000000e-03 -3.9031000000e-03 -4.6117000000e-03  2.4417000000e-03  1.5894000000e-03  5.7961000000e-03 -2.2794000000e-03  7.4247000000e-03 -2.6680000000e-03  1.7309000000e-03 -8.7972000000e-03 -1.8237000000e-03 -5.7920000000e-04  2.0257000000e-03
-
-JOB 33
-COORDS -9.4896600000e-01 -5.4062400000e-01 -8.7440400000e-01 -1.7564380000e+00 -3.5986100000e-01 -1.3555970000e+00 -7.7515000000e-01 -1.4677650000e+00 -1.0369760000e+00  1.0396640000e+00  5.5850900000e-01  9.3668700000e-01  4.1065800000e-01  1.9849200000e-01  3.1141000000e-01  7.0170400000e-01  1.4301700000e+00  1.1421660000e+00
-ENERGY -1.526610454278e+02
-FORCES -2.0220000000e-03 -1.0855000000e-03 -1.4264000000e-03  3.3207000000e-03 -2.2854000000e-03  1.6037000000e-03 -1.2207000000e-03  4.8250000000e-03  5.5500000000e-04 -8.4727000000e-03 -2.2530000000e-04 -5.7009000000e-03  7.3574000000e-03  1.0504000000e-03  5.4761000000e-03  1.0374000000e-03 -2.2791000000e-03 -5.0750000000e-04
-
-JOB 34
-COORDS -4.8822000000e-01  5.7797100000e-01  1.2121680000e+00 -1.3120730000e+00  9.4001000000e-02  1.1549830000e+00 -7.5317500000e-01  1.4872850000e+00  1.3506540000e+00  5.9770200000e-01 -6.5129000000e-01 -1.2025560000e+00  2.9252300000e-01  4.4052000000e-02 -6.1980700000e-01  1.4650700000e-01 -4.8589700000e-01 -2.0303840000e+00
-ENERGY -1.526599243366e+02
-FORCES -4.7627000000e-03 -3.0250000000e-04  3.3375000000e-03  4.0770000000e-03  3.7096000000e-03 -7.1440000000e-04  1.1124000000e-03 -4.7347000000e-03 -1.9066000000e-03 -2.8746000000e-03  5.5814000000e-03  5.0383000000e-03  1.8421000000e-03 -4.2169000000e-03 -9.5133000000e-03  6.0570000000e-04 -3.6800000000e-05  3.7586000000e-03
-
-JOB 35
-COORDS  1.3365700000e-01 -1.0295640000e+00  1.1136750000e+00 -7.4833300000e-01 -1.3380250000e+00  9.0588400000e-01  3.7292200000e-01 -4.7084700000e-01  3.7420300000e-01 -4.6593000000e-02  1.0498990000e+00 -1.0160820000e+00  1.6590100000e-01  6.1431800000e-01 -1.8415200000e+00 -9.8733600000e-01  9.1107700000e-01 -9.0670700000e-01
-ENERGY -1.526581348642e+02
-FORCES -1.4615000000e-03  6.1228000000e-03 -7.1442000000e-03  2.3886000000e-03  1.6615000000e-03  1.4140000000e-04 -7.2820000000e-04 -8.0417000000e-03  5.0166000000e-03 -4.5658000000e-03  1.1570000000e-03 -3.8519000000e-03 -1.0575000000e-03  6.4220000000e-04  5.8153000000e-03  5.4244000000e-03 -1.5419000000e-03  2.2800000000e-05
-
-JOB 36
-COORDS  9.5971800000e-01 -6.3585300000e-01 -8.8321700000e-01  1.3758710000e+00  1.9351100000e-01 -1.1181720000e+00  4.6678200000e-01 -8.8679900000e-01 -1.6644160000e+00 -9.3935800000e-01  6.1149900000e-01  9.9837500000e-01 -1.7684170000e+00  8.9239300000e-01  6.1108600000e-01 -4.6766500000e-01  1.9299700000e-01  2.7824000000e-01
-ENERGY -1.526598283664e+02
-FORCES  3.7555000000e-03  6.5660000000e-04 -5.0028000000e-03 -4.2073000000e-03 -4.2037000000e-03  1.5270000000e-03  1.0048000000e-03  2.7115000000e-03  5.1428000000e-03  3.6885000000e-03 -4.6714000000e-03 -6.2755000000e-03  3.5035000000e-03 -1.4372000000e-03  4.2800000000e-05 -7.7449000000e-03  6.9442000000e-03  4.5657000000e-03
-
-JOB 37
-COORDS  1.9041200000e-01  1.1004610000e+00  8.6916000000e-01 -6.9976200000e-01  1.4264970000e+00  1.0015350000e+00  6.6543800000e-01  1.3742920000e+00  1.6537610000e+00 -2.1167400000e-01 -1.1453350000e+00 -9.5797700000e-01  5.2523500000e-01 -1.7360460000e+00 -8.0223000000e-01 -2.4243000000e-02 -3.7952100000e-01 -4.1517800000e-01
-ENERGY -1.526611018121e+02
-FORCES -7.4170000000e-04  1.0716000000e-03  3.6506000000e-03  4.8256000000e-03 -1.8841000000e-03 -5.4240000000e-04 -3.1074000000e-03 -2.4910000000e-04 -3.0115000000e-03  4.9812000000e-03  5.4297000000e-03  6.7150000000e-03 -2.0718000000e-03  1.5473000000e-03 -4.7600000000e-04 -3.8859000000e-03 -5.9154000000e-03 -6.3357000000e-03
-
-JOB 38
-COORDS  6.5915700000e-01 -1.2227300000e+00  4.5075000000e-01  8.9597700000e-01 -1.2087950000e+00  1.3780870000e+00 -1.7897500000e-01 -1.6843040000e+00  4.2400900000e-01 -6.4692000000e-01  1.3034870000e+00 -5.3563300000e-01  1.9319900000e-01  8.4475800000e-01 -5.3553100000e-01 -1.1740900000e+00  8.3893500000e-01  1.1437800000e-01
-ENERGY -1.526579186774e+02
-FORCES -2.3693000000e-03 -3.0476000000e-03  3.2639000000e-03 -1.9534000000e-03  4.8350000000e-04 -4.4583000000e-03  3.3501000000e-03  3.4754000000e-03  8.5900000000e-04  4.6418000000e-03 -8.4977000000e-03  4.4757000000e-03 -2.8829000000e-03  5.9809000000e-03 -2.4429000000e-03 -7.8630000000e-04  1.6055000000e-03 -1.6974000000e-03
-
-JOB 39
-COORDS -3.3361100000e-01  1.1365360000e+00  9.7812800000e-01 -1.2113820000e+00  7.5564400000e-01  1.0040360000e+00  2.1984500000e-01  4.4014400000e-01  6.2463500000e-01  3.3115900000e-01 -1.0908990000e+00 -8.9821800000e-01  1.2465260000e+00 -9.5568800000e-01 -1.1432780000e+00 -1.6018800000e-01 -9.1957500000e-01 -1.7016220000e+00
-ENERGY -1.526591567364e+02
-FORCES -8.7130000000e-04 -9.8828000000e-03 -5.2884000000e-03  1.6726000000e-03  2.5571000000e-03  3.3990000000e-04  1.5520000000e-03  6.4144000000e-03  4.7893000000e-03 -1.1620000000e-04  1.7103000000e-03 -5.9121000000e-03 -4.7595000000e-03  7.1700000000e-04  2.5417000000e-03  2.5225000000e-03 -1.5160000000e-03  3.5296000000e-03
-
-JOB 40
-COORDS -5.2220500000e-01 -7.0155800000e-01  1.1437840000e+00 -5.6369200000e-01  1.1980900000e-01  1.6335470000e+00 -3.7270200000e-01 -1.3714840000e+00  1.8109260000e+00  4.6940000000e-01  6.7357800000e-01 -1.2658880000e+00  1.2799680000e+00  1.1786240000e+00 -1.3302390000e+00  4.2987100000e-01  3.9890200000e-01 -3.4979800000e-01
-ENERGY -1.526576779550e+02
-FORCES -1.3437000000e-03 -2.3780000000e-03  4.9689000000e-03  3.0928000000e-03 -3.5374000000e-03 -4.8018000000e-03 -1.4017000000e-03  3.6424000000e-03 -2.4546000000e-03  8.0200000000e-04 -3.7028000000e-03  5.3854000000e-03 -3.0678000000e-03 -2.0990000000e-03  1.3521000000e-03  1.9184000000e-03  8.0748000000e-03 -4.4499000000e-03
-
-JOB 41
-COORDS  1.0254960000e+00  5.5595000000e-02 -1.0239120000e+00  1.4214160000e+00  8.6670100000e-01 -7.0518700000e-01  1.0813070000e+00  1.1978400000e-01 -1.9773250000e+00 -1.0664510000e+00 -1.5306300000e-01  1.1099380000e+00 -1.4521020000e+00  7.0561400000e-01  9.3621600000e-01 -3.8822000000e-01 -2.5118200000e-01  4.4165100000e-01
-ENERGY -1.526604621168e+02
-FORCES  2.0697000000e-03  2.4739000000e-03 -4.0069000000e-03 -3.3485000000e-03 -3.8372000000e-03 -1.5346000000e-03  7.0260000000e-04  8.5250000000e-04  4.4721000000e-03  4.0413000000e-03  1.8352000000e-03 -7.9617000000e-03  1.4151000000e-03 -2.2014000000e-03  9.6050000000e-04 -4.8802000000e-03  8.7710000000e-04  8.0706000000e-03
-
-JOB 42
-COORDS -6.7604700000e-01 -1.1330530000e+00 -7.9014200000e-01 -5.3435000000e-01 -2.3959000000e-01 -4.7728600000e-01 -1.7370600000e-01 -1.1851030000e+00 -1.6032690000e+00  6.7595200000e-01  1.0841210000e+00  7.6328900000e-01  9.2523100000e-01  8.2828000000e-01  1.6513420000e+00 -2.4362200000e-01  1.3396170000e+00  8.3635000000e-01
-ENERGY -1.526559796819e+02
-FORCES  7.4316000000e-03  5.6918000000e-03  3.6920000000e-04 -7.2908000000e-03 -1.2724000000e-03 -1.4546000000e-03 -2.1997000000e-03 -3.2960000000e-04  2.5140000000e-03 -5.5700000000e-04 -1.4620000000e-03  6.5543000000e-03 -1.0979000000e-03  2.4446000000e-03 -3.8198000000e-03  3.7138000000e-03 -5.0724000000e-03 -4.1631000000e-03
-
-JOB 43
-COORDS -1.5314600000e-01  1.3439590000e+00 -5.7185900000e-01 -1.3911000000e-01  2.2023370000e+00 -1.4851400000e-01  5.4333700000e-01  1.3880600000e+00 -1.2269920000e+00  1.1478200000e-01 -1.4010480000e+00  6.5682300000e-01  3.5907600000e-01 -6.2892000000e-01  1.4655700000e-01 -1.5044800000e-01 -2.0471840000e+00  2.3070000000e-03
-ENERGY -1.526582026865e+02
-FORCES  3.8620000000e-04  6.2801000000e-03  7.1710000000e-04  1.5420000000e-04 -3.4570000000e-03 -3.1047000000e-03 -2.9123000000e-03 -2.7247000000e-03  4.4458000000e-03 -2.3560000000e-03  5.8509000000e-03 -5.1305000000e-03  3.4635000000e-03 -8.3514000000e-03  1.1938000000e-03  1.2644000000e-03  2.4021000000e-03  1.8785000000e-03
-
-JOB 44
-COORDS -6.0834000000e-02 -1.4207250000e+00  6.4708100000e-01 -1.2813400000e-01 -5.9216300000e-01  1.7254100000e-01  3.9955300000e-01 -1.1972850000e+00  1.4560010000e+00  6.3510000000e-02  1.3219270000e+00 -6.1728900000e-01  1.4364800000e-01  1.1169950000e+00 -1.5488540000e+00 -4.5911000000e-01  2.1234630000e+00 -5.9198400000e-01
-ENERGY -1.526611436894e+02
-FORCES  1.6911000000e-03  9.4022000000e-03 -9.6500000000e-05  1.6500000000e-05 -9.3698000000e-03  1.0573000000e-03 -1.5519000000e-03 -1.3773000000e-03 -1.9705000000e-03 -1.9554000000e-03  4.2989000000e-03 -3.1841000000e-03 -1.2069000000e-03  3.1190000000e-04  5.2738000000e-03  3.0066000000e-03 -3.2658000000e-03 -1.0800000000e-03
-
-JOB 45
-COORDS -5.2630900000e-01  7.4073600000e-01  1.2795470000e+00 -1.0414320000e+00  1.3441930000e+00  7.4408500000e-01  2.3762000000e-02  2.7241900000e-01  6.5158900000e-01  5.1462200000e-01 -7.2661700000e-01 -1.1460060000e+00  3.5275000000e-01 -2.6531000000e-01 -1.9689430000e+00  8.7209500000e-01 -1.5737650000e+00 -1.4120590000e+00
-ENERGY -1.526600970434e+02
-FORCES  1.6441000000e-03 -3.0187000000e-03 -8.3456000000e-03  1.4601000000e-03 -1.3368000000e-03  1.6478000000e-03 -2.5540000000e-03  4.9965000000e-03  6.9506000000e-03  4.9550000000e-04 -2.4942000000e-03 -3.9464000000e-03  6.3070000000e-04 -2.2402000000e-03  3.7505000000e-03 -1.6764000000e-03  4.0933000000e-03 -5.6900000000e-05
-
-JOB 46
-COORDS  2.7768400000e-01 -5.7690000000e-01 -1.3262180000e+00 -5.3820000000e-01 -8.4229200000e-01 -1.7506390000e+00  9.2570400000e-01 -5.7688100000e-01 -2.0307050000e+00 -2.4831000000e-01  6.4872300000e-01  1.4099580000e+00  5.5483000000e-02  1.9635500000e-01  6.2299800000e-01 -8.6377600000e-01  3.7927000000e-02  1.8153730000e+00
-ENERGY -1.526608458914e+02
-FORCES -1.0840000000e-04 -1.5110000000e-04 -5.2380000000e-03  4.0618000000e-03  7.2530000000e-04  1.7363000000e-03 -3.7645000000e-03 -5.5380000000e-04  2.1586000000e-03  7.1560000000e-04 -5.2410000000e-03 -5.7510000000e-03 -2.4703000000e-03  3.2685000000e-03  8.7906000000e-03  1.5658000000e-03  1.9522000000e-03 -1.6965000000e-03
-
-JOB 47
-COORDS  4.8746000000e-02 -1.2103630000e+00  8.4794500000e-01 -3.9639800000e-01 -2.0129350000e+00  1.1198950000e+00  5.6627400000e-01 -9.5268000000e-01  1.6108320000e+00 -3.7017000000e-02  1.3031880000e+00 -8.9980200000e-01  1.7043200000e-01  6.9224900000e-01 -1.6068740000e+00 -5.1893900000e-01  7.7705100000e-01 -2.6170900000e-01
-ENERGY -1.526592759826e+02
-FORCES  2.1254000000e-03 -2.6807000000e-03  4.6860000000e-03  2.2415000000e-03  3.7742000000e-03 -1.2750000000e-03 -3.2451000000e-03 -1.6579000000e-03 -3.1482000000e-03 -4.8150000000e-04 -9.2943000000e-03  1.9164000000e-03 -6.4880000000e-04  3.2979000000e-03  7.9500000000e-04  8.5000000000e-06  6.5607000000e-03 -2.9742000000e-03
-
-JOB 48
-COORDS  1.5330460000e+00  2.3865800000e-01  2.5647600000e-01  1.9354310000e+00 -6.2801600000e-01  3.1298900000e-01  6.1364700000e-01  6.3751000000e-02  5.5616000000e-02 -1.4540890000e+00 -2.0795600000e-01 -2.8205200000e-01 -1.9753910000e+00  5.6030400000e-01 -5.1497400000e-01 -1.8133820000e+00 -4.9638800000e-01  5.5696400000e-01
-ENERGY -1.526615921286e+02
-FORCES -6.7067000000e-03 -3.9671000000e-03 -2.5731000000e-03 -1.6681000000e-03  2.6322000000e-03  2.1560000000e-04  1.0048000000e-02  1.2832000000e-03  3.2283000000e-03 -6.0217000000e-03  2.5058000000e-03  1.5841000000e-03  1.9641000000e-03 -4.0133000000e-03  1.6659000000e-03  2.3845000000e-03  1.5592000000e-03 -4.1207000000e-03
-
-JOB 49
-COORDS  8.2733900000e-01 -1.1412340000e+00 -6.0755700000e-01  6.6901700000e-01 -1.4168740000e+00  2.9532100000e-01  1.7745380000e+00 -1.0121950000e+00 -6.5649600000e-01 -9.1399900000e-01  1.2058640000e+00  5.6203400000e-01 -7.5541300000e-01  5.4999200000e-01  1.2409410000e+00 -3.5438400000e-01  9.3721100000e-01 -1.6658700000e-01
-ENERGY -1.526568260452e+02
-FORCES  4.1647000000e-03 -3.5090000000e-03  3.1291000000e-03 -8.7200000000e-05  3.3156000000e-03 -3.4519000000e-03 -4.9283000000e-03  7.3200000000e-05  4.9110000000e-04  4.4527000000e-03 -6.4985000000e-03 -3.0081000000e-03 -2.9380000000e-04  1.4263000000e-03 -1.1835000000e-03 -3.3082000000e-03  5.1923000000e-03  4.0233000000e-03
-
-JOB 50
-COORDS -2.4864800000e-01 -1.0685960000e+00  1.1450400000e+00 -9.4906300000e-01 -1.6884570000e+00  9.4151300000e-01 -2.9661700000e-01 -4.1479000000e-01  4.4756700000e-01  3.0070600000e-01  1.0907950000e+00 -1.0287660000e+00  9.6924100000e-01  9.3680200000e-01 -1.6962830000e+00 -5.2744000000e-01  9.0407200000e-01 -1.4709650000e+00
-ENERGY -1.526582213218e+02
-FORCES -1.7430000000e-04  3.5959000000e-03 -4.9342000000e-03  2.4564000000e-03  2.8908000000e-03 -3.1120000000e-04 -4.9245000000e-03 -6.9653000000e-03  4.7809000000e-03  2.6219000000e-03  8.1980000000e-04 -6.5965000000e-03 -3.8652000000e-03  1.3226000000e-03  2.4424000000e-03  3.8857000000e-03 -1.6638000000e-03  4.6186000000e-03
-
-JOB 51
-COORDS  5.4822300000e-01 -3.2853100000e-01  1.4952580000e+00  1.2088080000e+00 -1.0084980000e+00  1.3629550000e+00  3.8402800000e-01  2.0260000000e-02  6.1912000000e-01 -5.6084000000e-01  3.6884800000e-01 -1.3690700000e+00 -2.1405200000e-01  6.8189500000e-01 -2.2045170000e+00 -1.2128430000e+00 -2.8880600000e-01 -1.6111770000e+00
-ENERGY -1.526607320929e+02
-FORCES  3.5720000000e-04  3.0220000000e-04 -7.2149000000e-03 -2.2203000000e-03  2.0622000000e-03  4.4660000000e-04  3.1640000000e-03 -2.5300000000e-03  8.6425000000e-03 -2.7994000000e-03 -1.0068000000e-03 -5.4832000000e-03 -1.9241000000e-03 -1.9789000000e-03  3.4297000000e-03  3.4226000000e-03  3.1513000000e-03  1.7930000000e-04
-
-JOB 52
-COORDS -1.5630400000e-01  1.4176100000e-01 -1.6416180000e+00 -1.0282070000e+00  4.5719500000e-01 -1.4038800000e+00  2.0094300000e-01 -2.1268700000e-01 -8.2738700000e-01  2.1549400000e-01 -9.5052000000e-02  1.5432710000e+00  6.4905200000e-01 -8.7257100000e-01  1.8950150000e+00 -6.8604700000e-01 -1.5978700000e-01  1.8583360000e+00
-ENERGY -1.526586440413e+02
-FORCES -9.3770000000e-04  7.9170000000e-04  8.5082000000e-03  2.0344000000e-03 -1.1526000000e-03 -1.5470000000e-03 -9.9740000000e-04 -8.8770000000e-04 -8.0634000000e-03 -1.8989000000e-03 -2.4684000000e-03  6.0209000000e-03 -2.3059000000e-03  3.5542000000e-03 -2.6021000000e-03  4.1055000000e-03  1.6280000000e-04 -2.3166000000e-03
-
-JOB 53
-COORDS -1.2780930000e+00 -3.2326500000e-01 -8.6082000000e-01 -1.9762880000e+00 -7.2873600000e-01 -1.3749690000e+00 -1.2234230000e+00 -8.5647500000e-01 -6.7769000000e-02  1.3297070000e+00  3.9106900000e-01  9.0541800000e-01  8.9378900000e-01  9.4209000000e-01  2.5535400000e-01  1.4572020000e+00 -4.4774500000e-01  4.6228200000e-01
-ENERGY -1.526580192040e+02
-FORCES -4.1219000000e-03 -3.5358000000e-03  1.4550000000e-03  3.0308000000e-03  1.3014000000e-03  2.6552000000e-03  1.4300000000e-04  1.5108000000e-03 -4.8736000000e-03 -1.6654000000e-03 -1.6100000000e-05 -6.8994000000e-03  3.4199000000e-03 -1.3804000000e-03  4.4075000000e-03 -8.0640000000e-04  2.1200000000e-03  3.2553000000e-03
-
-JOB 54
-COORDS -8.4071100000e-01  1.3886350000e+00 -1.8854900000e-01 -4.0155800000e-01  6.2291200000e-01 -5.5874300000e-01 -1.7400110000e+00  1.3287080000e+00 -5.1088300000e-01  8.7670400000e-01 -1.3141340000e+00  1.6461100000e-01  1.4646670000e+00 -1.4276740000e+00  9.1136400000e-01  7.8249000000e-02 -1.7789010000e+00  4.1499800000e-01
-ENERGY -1.526581050586e+02
-FORCES  1.3475000000e-03 -4.4486000000e-03 -2.5567000000e-03 -6.0683000000e-03  5.5521000000e-03 -2.3840000000e-04  3.4218000000e-03 -7.0800000000e-04  1.5611000000e-03  8.2270000000e-04 -2.2718000000e-03  6.5750000000e-03 -2.5487000000e-03 -7.8100000000e-04 -3.1875000000e-03  3.0251000000e-03  2.6572000000e-03 -2.1535000000e-03
-
-JOB 55
-COORDS -4.2390700000e-01  7.5104400000e-01 -1.4460520000e+00  1.4081300000e-01  1.3333610000e+00 -9.3789000000e-01 -1.1082350000e+00  4.8448400000e-01 -8.3215300000e-01  4.4470100000e-01 -7.4042100000e-01  1.4473730000e+00 -3.6669200000e-01 -1.1465550000e+00  1.1425310000e+00  1.0347710000e+00 -7.8914200000e-01  6.9525900000e-01
-ENERGY -1.526560048149e+02
-FORCES -1.0834000000e-03  3.2102000000e-03  5.9744000000e-03 -1.4791000000e-03 -2.8743000000e-03 -3.2977000000e-03  2.4333000000e-03 -8.2550000000e-04 -2.9525000000e-03 -3.1000000000e-05 -3.6322000000e-03 -5.4413000000e-03  2.1470000000e-03  3.0525000000e-03  1.2948000000e-03 -1.9868000000e-03  1.0692000000e-03  4.4222000000e-03
-
-JOB 56
-COORDS  6.9999700000e-01 -4.2656100000e-01 -1.4643670000e+00  1.5918830000e+00 -6.7839100000e-01 -1.2248820000e+00  3.5595800000e-01 -1.1836320000e+00 -1.9384060000e+00 -7.3242900000e-01  4.0474900000e-01  1.4805830000e+00 -5.1222800000e-01  9.5700400000e-01  7.3041100000e-01 -8.6801500000e-01  1.0208080000e+00  2.2005270000e+00
-ENERGY -1.526565933388e+02
-FORCES  1.9398000000e-03 -5.7796000000e-03 -3.1580000000e-04 -3.3982000000e-03  1.3194000000e-03 -1.6006000000e-03  1.9243000000e-03  3.0861000000e-03  1.3437000000e-03  6.9410000000e-04  4.1441000000e-03 -2.3893000000e-03 -2.0012000000e-03 -2.7210000000e-04  5.9595000000e-03  8.4120000000e-04 -2.4979000000e-03 -2.9975000000e-03
-
-JOB 57
-COORDS -2.0612500000e-01 -1.5327800000e+00 -9.0160900000e-01 -7.2708200000e-01 -1.9431440000e+00 -2.1136500000e-01 -6.8867800000e-01 -7.3701700000e-01 -1.1255190000e+00  2.1804700000e-01  1.5462390000e+00  9.1051200000e-01  1.1735280000e+00  1.5757340000e+00  9.5969000000e-01  3.3372000000e-02  9.4889000000e-01  1.8573500000e-01
-ENERGY -1.526546326833e+02
-FORCES -5.6263000000e-03 -1.3285000000e-03  1.4870000000e-03  2.5137000000e-03  1.9284000000e-03 -3.5572000000e-03  4.4573000000e-03 -1.0170000000e-03  3.1268000000e-03  5.0186000000e-03 -3.6869000000e-03 -2.6487000000e-03 -3.9670000000e-03  6.8660000000e-04  2.0940000000e-04 -2.3963000000e-03  3.4174000000e-03  1.3828000000e-03
-
-JOB 58
-COORDS -8.3369500000e-01  1.5869650000e+00 -4.8087600000e-01 -8.9085700000e-01  8.5330500000e-01 -1.0930100000e+00 -1.5012800000e+00  1.4011400000e+00  1.7945000000e-01  8.6062000000e-01 -1.5861390000e+00  5.1890100000e-01  9.7232800000e-01 -1.6407080000e+00 -4.3019100000e-01  1.0030980000e+00 -6.6222100000e-01  7.2458700000e-01
-ENERGY -1.526561622043e+02
-FORCES -5.0118000000e-03 -3.3639000000e-03 -9.8300000000e-05  1.4837000000e-03  3.0336000000e-03  2.4474000000e-03  3.2246000000e-03  1.1644000000e-03 -2.7583000000e-03  2.2659000000e-03  4.3888000000e-03 -2.5813000000e-03 -1.3808000000e-03  1.8070000000e-04  3.4603000000e-03 -5.8160000000e-04 -5.4036000000e-03 -4.6990000000e-04
-
-JOB 59
-COORDS  9.5433300000e-01 -1.4180980000e+00  7.5032200000e-01  1.8004730000e+00 -1.0888780000e+00  1.0534600000e+00  4.2398600000e-01 -6.3210500000e-01  6.1925100000e-01 -9.4932700000e-01  1.4209890000e+00 -7.6917800000e-01 -1.5080890000e+00  1.0934640000e+00 -6.4377000000e-02 -7.9197900000e-01  6.5777300000e-01 -1.3250340000e+00
-ENERGY -1.526558545938e+02
-FORCES  2.4146000000e-03  5.5662000000e-03  1.0486000000e-03 -3.3828000000e-03 -1.7784000000e-03 -1.0804000000e-03  6.9940000000e-04 -5.1741000000e-03  4.0870000000e-04 -4.1644000000e-03 -2.8675000000e-03 -2.0083000000e-03  4.4617000000e-03  7.0900000000e-04 -2.5001000000e-03 -2.8500000000e-05  3.5448000000e-03  4.1314000000e-03
-
-JOB 60
-COORDS  4.5511900000e-01  1.3152350000e+00  1.2579520000e+00 -1.9249400000e-01  1.1236400000e+00  1.9362740000e+00  1.1490890000e+00  6.7145200000e-01  1.4000130000e+00 -4.8954800000e-01 -1.2122830000e+00 -1.2916740000e+00  3.9671600000e-01 -1.3466670000e+00 -1.6273960000e+00 -8.2429700000e-01 -2.0956900000e+00 -1.1375110000e+00
-ENERGY -1.526528523403e+02
-FORCES -1.1270000000e-03 -4.7895000000e-03  2.0395000000e-03  2.8348000000e-03  1.2002000000e-03 -1.9988000000e-03 -1.9172000000e-03  2.8835000000e-03 -2.1770000000e-04  2.3795000000e-03 -3.3967000000e-03 -1.3904000000e-03 -3.5332000000e-03  2.0400000000e-04  1.6881000000e-03  1.3631000000e-03  3.8985000000e-03 -1.2080000000e-04
-
-JOB 61
-COORDS  1.7809800000e-01  1.3486180000e+00 -1.2423820000e+00 -4.3259600000e-01  2.0852520000e+00 -1.2168060000e+00  1.0401540000e+00  1.7546020000e+00 -1.3333110000e+00 -1.8570200000e-01 -1.4480720000e+00  1.2952180000e+00 -1.9383000000e-02 -5.1280900000e-01  1.1775130000e+00 -5.4090100000e-01 -1.7363410000e+00  4.5440500000e-01
-ENERGY -1.526574803735e+02
-FORCES  1.4411000000e-03  5.7559000000e-03 -2.1100000000e-03  2.7587000000e-03 -3.3227000000e-03  2.0460000000e-04 -3.9455000000e-03 -1.6074000000e-03  6.4990000000e-04 -4.6950000000e-04  3.8828000000e-03 -5.6647000000e-03 -6.5150000000e-04 -4.4756000000e-03  3.0897000000e-03  8.6680000000e-04 -2.3300000000e-04  3.8304000000e-03
-
-JOB 62
-COORDS  1.2963700000e-01 -1.8252660000e+00 -5.8525100000e-01  4.6193200000e-01 -2.7228230000e+00 -5.9947400000e-01  3.6297000000e-01 -1.4693600000e+00 -1.4426410000e+00 -1.5325000000e-01  1.8065590000e+00  6.8432800000e-01 -8.5509700000e-01  1.8394160000e+00  3.4280000000e-02  3.7572400000e-01  2.5841040000e+00  5.0588700000e-01
-ENERGY -1.526528798117e+02
-FORCES  2.9175000000e-03 -1.7898000000e-03 -3.0647000000e-03 -1.3832000000e-03  3.7321000000e-03  1.0630000000e-04 -1.4213000000e-03 -1.5618000000e-03  3.0915000000e-03 -1.1629000000e-03  2.5189000000e-03 -3.1469000000e-03  3.0530000000e-03  4.7270000000e-04  2.3737000000e-03 -2.0030000000e-03 -3.3722000000e-03  6.4020000000e-04
-
-JOB 63
-COORDS -1.0757590000e+00 -1.6437650000e+00 -1.6499300000e-01 -1.7637100000e+00 -2.1491450000e+00 -5.9806000000e-01 -1.4415060000e+00 -1.4260250000e+00  6.9235800000e-01  1.0845360000e+00  1.6557400000e+00  1.9167100000e-01  1.1054830000e+00  1.3115170000e+00 -7.0124800000e-01  1.9247460000e+00  2.1021470000e+00  2.9655300000e-01
-ENERGY -1.526550633750e+02
-FORCES -4.2949000000e-03 -7.1650000000e-04  2.7144000000e-03  2.9088000000e-03  2.1197000000e-03  1.6135000000e-03  9.1780000000e-04 -1.7590000000e-03 -3.7320000000e-03  3.1775000000e-03 -6.6160000000e-04 -3.7418000000e-03  6.6910000000e-04  2.7723000000e-03  3.5014000000e-03 -3.3782000000e-03 -1.7548000000e-03 -3.5560000000e-04
-
-JOB 64
-COORDS  1.1666910000e+00  1.6636630000e+00 -4.7376000000e-02  1.3840420000e+00  2.3206750000e+00 -7.0868200000e-01  1.1841820000e+00  2.1423690000e+00  7.8133700000e-01 -1.1612510000e+00 -1.7596370000e+00 -1.7617000000e-02 -1.1422760000e+00 -8.0783400000e-01  8.2100000000e-02 -1.4923170000e+00 -2.0822000000e+00  8.2058300000e-01
-ENERGY -1.526553284576e+02
-FORCES  2.3001000000e-03  5.0992000000e-03  1.0730000000e-04 -9.4010000000e-04 -2.5944000000e-03  3.0166000000e-03 -5.7370000000e-04 -2.2090000000e-03 -3.4254000000e-03 -8.2200000000e-05  3.5358000000e-03  3.4180000000e-03 -1.9156000000e-03 -5.0528000000e-03  6.3100000000e-05  1.2116000000e-03  1.2213000000e-03 -3.1796000000e-03
-
-JOB 65
-COORDS -1.5939000000e-01 -1.7326830000e+00 -1.2711420000e+00  6.7825900000e-01 -1.3943920000e+00 -1.5875810000e+00 -7.7418000000e-02 -1.7226750000e+00 -3.1751100000e-01  1.3402500000e-01  1.7205570000e+00  1.1736890000e+00  2.5355000000e-01  2.3042430000e+00  1.9228600000e+00 -4.0091500000e-01  1.0024440000e+00  1.5118970000e+00
-ENERGY -1.526542414485e+02
-FORCES  4.3774000000e-03  2.3284000000e-03  2.2528000000e-03 -3.4133000000e-03 -2.1691000000e-03  9.9990000000e-04 -1.0461000000e-03 -2.0040000000e-04 -3.2559000000e-03 -2.4001000000e-03  3.7560000000e-04  4.5434000000e-03 -4.8090000000e-04 -2.5188000000e-03 -3.1724000000e-03  2.9630000000e-03  2.1842000000e-03 -1.3677000000e-03
-
-JOB 66
-COORDS -2.5133400000e-01 -6.5036900000e-01 -2.0389890000e+00  2.2040800000e-01 -1.7120800000e-01 -2.7202360000e+00 -6.2557300000e-01  3.1621000000e-02 -1.4812550000e+00  2.6951300000e-01  6.3279400000e-01  2.0126790000e+00  4.4455600000e-01 -2.9428800000e-01  1.8510870000e+00 -3.2230700000e-01  6.3770800000e-01  2.7649800000e+00
-ENERGY -1.526559771690e+02
-FORCES  4.9550000000e-04  5.4025000000e-03 -3.5940000000e-04 -1.9486000000e-03 -2.0303000000e-03  2.5188000000e-03  1.2406000000e-03 -3.5380000000e-03 -3.0308000000e-03 -1.0527000000e-03 -4.1571000000e-03  3.1416000000e-03 -1.0957000000e-03  4.3270000000e-03  9.3070000000e-04  2.3608000000e-03 -4.0000000000e-06 -3.2009000000e-03
-
-JOB 67
-COORDS  4.1398500000e-01  1.1212830000e+00 -1.8444240000e+00 -3.5748000000e-02  1.8933530000e+00 -2.1877580000e+00  1.2614520000e+00  1.4505340000e+00 -1.5450470000e+00 -3.7998900000e-01 -1.1686150000e+00  1.8108760000e+00 -7.0041400000e-01 -7.2914900000e-01  2.5985500000e+00 -1.0498130000e+00 -1.8227590000e+00  1.6117210000e+00
-ENERGY -1.526533632878e+02
-FORCES  1.8852000000e-03  4.1262000000e-03  7.1700000000e-04  1.6693000000e-03 -3.1681000000e-03  1.3439000000e-03 -3.3538000000e-03 -9.6430000000e-04 -1.7491000000e-03 -4.3693000000e-03 -7.3720000000e-04  1.4924000000e-03  1.4549000000e-03 -1.7058000000e-03 -3.0778000000e-03  2.7137000000e-03  2.4493000000e-03  1.2736000000e-03
-
-JOB 68
-COORDS  1.0205730000e+00  1.7697640000e+00  8.8116700000e-01  1.0012390000e+00  1.9713560000e+00  1.8166980000e+00  1.9100130000e+00  1.4538160000e+00  7.2208600000e-01 -1.0493700000e+00 -1.6956230000e+00 -9.2295000000e-01 -1.1339890000e+00 -2.2330980000e+00 -1.3542700000e-01 -1.2316500000e+00 -2.2972210000e+00 -1.6448130000e+00
-ENERGY -1.526530715951e+02
-FORCES  3.4286000000e-03 -9.1270000000e-04  2.6118000000e-03 -2.2200000000e-05 -8.8650000000e-04 -3.7546000000e-03 -3.4195000000e-03  1.5715000000e-03  9.1790000000e-04 -1.2194000000e-03 -4.2645000000e-03  5.8760000000e-04  3.6980000000e-04  1.9307000000e-03 -3.2913000000e-03  8.6270000000e-04  2.5617000000e-03  2.9287000000e-03
-
-JOB 69
-COORDS  7.0458400000e-01 -2.1162700000e+00 -3.5619200000e-01  6.2873700000e-01 -2.9778910000e+00  5.3793000000e-02  1.6009430000e+00 -2.0877830000e+00 -6.9080000000e-01 -7.7634000000e-01  2.2168510000e+00  3.7813000000e-01 -2.7967100000e-01  2.1412150000e+00 -4.3662900000e-01 -7.9266600000e-01  1.3278720000e+00  7.3264600000e-01
-ENERGY -1.526557195544e+02
-FORCES  3.4988000000e-03 -4.2876000000e-03  1.7320000000e-04  4.2680000000e-04  3.6128000000e-03 -1.7092000000e-03 -3.7936000000e-03  8.5200000000e-05  1.3915000000e-03  1.9781000000e-03 -4.9708000000e-03 -2.0823000000e-03 -1.8026000000e-03  1.0198000000e-03  3.0807000000e-03 -3.0770000000e-04  4.5405000000e-03 -8.5400000000e-04
-
-JOB 70
-COORDS -1.1765000000e-01  1.7999530000e+00 -1.4904430000e+00  5.4708900000e-01  1.7327650000e+00 -2.1758910000e+00 -9.0047300000e-01  2.1111010000e+00 -1.9449820000e+00  1.2038100000e-01 -1.7645160000e+00  1.5039240000e+00  7.7740200000e-01 -2.4597110000e+00  1.5394160000e+00 -4.4679900000e-01 -1.9316900000e+00  2.2566470000e+00
-ENERGY -1.526529095047e+02
-FORCES -4.5560000000e-04  3.2410000000e-04 -4.4275000000e-03 -2.6533000000e-03  4.8500000000e-04  2.6911000000e-03  3.1587000000e-03 -1.1164000000e-03  1.8861000000e-03  3.1040000000e-04 -3.0853000000e-03  3.1806000000e-03 -2.6501000000e-03  2.8204000000e-03 -2.4670000000e-04  2.2899000000e-03  5.7220000000e-04 -3.0836000000e-03
-
-JOB 71
-COORDS -2.1319400000e+00  6.0342000000e-01  1.2276450000e+00 -1.4809640000e+00  3.5125200000e-01  1.8825290000e+00 -2.4085580000e+00 -2.2376100000e-01  8.3332700000e-01  2.1085000000e+00 -4.9130000000e-01 -1.2989540000e+00  2.4417350000e+00 -1.3886190000e+00 -1.2965830000e+00  1.7900980000e+00 -3.5118500000e-01 -4.0720300000e-01
-ENERGY -1.526536119700e+02
-FORCES  8.4470000000e-04 -4.2581000000e-03  9.4700000000e-04 -2.1749000000e-03  9.2890000000e-04 -2.9751000000e-03  1.3583000000e-03  3.3732000000e-03  1.8667000000e-03  1.2000000000e-04 -2.6735000000e-03  3.5098000000e-03 -1.5397000000e-03  3.6596000000e-03  7.7700000000e-05  1.3917000000e-03 -1.0301000000e-03 -3.4261000000e-03
-
-JOB 72
-COORDS -1.8872810000e+00  7.3653800000e-01 -1.4838140000e+00 -2.7181200000e+00  1.0085610000e+00 -1.0940170000e+00 -1.3719880000e+00  1.5414760000e+00 -1.5365400000e+00  1.8969750000e+00 -8.1664000000e-01  1.4068170000e+00  2.0442750000e+00 -1.2713480000e+00  2.2361400000e+00  1.8291560000e+00  1.0710000000e-01  1.6483460000e+00
-ENERGY -1.526533129169e+02
-FORCES -1.0354000000e-03  4.1024000000e-03  1.3564000000e-03  3.3978000000e-03 -1.0741000000e-03 -1.5561000000e-03 -2.1822000000e-03 -3.1099000000e-03  3.1840000000e-04 -9.0100000000e-05  1.7807000000e-03  4.2029000000e-03 -5.4570000000e-04  1.8721000000e-03 -3.3702000000e-03  4.5550000000e-04 -3.5712000000e-03 -9.5150000000e-04
-
-JOB 73
-COORDS -6.3209900000e-01 -2.2440590000e+00 -1.2148730000e+00 -4.2136200000e-01 -3.0218160000e+00 -6.9823300000e-01 -1.1672000000e-02 -1.5803860000e+00 -9.1347700000e-01  5.4259600000e-01  2.2034600000e+00  1.1541190000e+00  1.1856080000e+00  2.2023120000e+00  1.8631790000e+00  6.6603800000e-01  3.0473550000e+00  7.1956800000e-01
-ENERGY -1.526547601797e+02
-FORCES  3.2408000000e-03  2.8130000000e-04  3.6959000000e-03 -8.0490000000e-04  2.9383000000e-03 -2.1208000000e-03 -2.3051000000e-03 -3.5289000000e-03 -1.6783000000e-03  2.8048000000e-03  4.0767000000e-03  1.2770000000e-03 -2.5722000000e-03 -2.2560000000e-04 -3.0314000000e-03 -3.6330000000e-04 -3.5419000000e-03  1.8577000000e-03
-
-JOB 74
-COORDS  1.1613480000e+00 -1.7838950000e+00  1.7510360000e+00  1.9181720000e+00 -2.2172980000e+00  1.3565610000e+00  4.0536300000e-01 -2.1773440000e+00  1.3152420000e+00 -1.1649300000e+00  1.8529140000e+00 -1.7638640000e+00 -1.8826300000e+00  1.6614290000e+00 -1.1601490000e+00 -3.7214900000e-01  1.6640680000e+00 -1.2618020000e+00
-ENERGY -1.526546565114e+02
-FORCES  2.8760000000e-04 -3.9983000000e-03 -3.0808000000e-03 -3.1868000000e-03  1.9066000000e-03  1.5799000000e-03  3.0140000000e-03  2.0246000000e-03  1.7054000000e-03  4.8630000000e-04 -1.2567000000e-03  4.8241000000e-03  2.7764000000e-03  6.1040000000e-04 -2.6032000000e-03 -3.3776000000e-03  7.1330000000e-04 -2.4254000000e-03
-
-JOB 75
-COORDS  2.7168500000e-01 -2.6223610000e+00  1.4120400000e+00  3.2119500000e-01 -2.2996730000e+00  2.3118470000e+00  2.9889400000e-01 -1.8325210000e+00  8.7199800000e-01 -2.6651700000e-01  2.4951530000e+00 -1.4440760000e+00 -7.5693600000e-01  2.9079320000e+00 -7.3320700000e-01  7.3753000000e-02  3.2276350000e+00 -1.9578060000e+00
-ENERGY -1.526545939975e+02
-FORCES  3.6650000000e-04  4.7239000000e-03  1.0547000000e-03 -2.4120000000e-04 -1.3297000000e-03 -3.5061000000e-03 -1.3470000000e-04 -3.5097000000e-03  2.6241000000e-03 -6.9520000000e-04  4.9866000000e-03  3.5370000000e-04  2.1311000000e-03 -1.9015000000e-03 -2.7266000000e-03 -1.4265000000e-03 -2.9697000000e-03  2.2000000000e-03
-
-JOB 76
-COORDS -9.4680800000e-01 -2.4342660000e+00 -1.3421500000e+00 -1.7114870000e+00 -2.6349900000e+00 -8.0251200000e-01 -1.3094340000e+00 -2.0368980000e+00 -2.1338780000e+00  1.0229760000e+00  2.3951400000e+00  1.4147380000e+00  2.3923100000e-01  2.7373470000e+00  9.8477200000e-01  1.7276990000e+00  2.5465230000e+00  7.8491300000e-01
-ENERGY -1.526538574902e+02
-FORCES -4.5767000000e-03  7.0790000000e-04 -7.3940000000e-04  3.0523000000e-03  8.0180000000e-04 -2.3616000000e-03  1.5280000000e-03 -1.4910000000e-03  3.1921000000e-03 -2.2740000000e-04  1.5682000000e-03 -4.5130000000e-03  3.0825000000e-03 -1.2272000000e-03  1.8024000000e-03 -2.8588000000e-03 -3.5970000000e-04  2.6196000000e-03
-
-JOB 77
-COORDS  1.0186720000e+00  1.3503410000e+00 -2.6026480000e+00  1.2519780000e+00  2.1719900000e+00 -3.0347290000e+00  9.9138600000e-01  7.0637000000e-01 -3.3103120000e+00 -1.0403170000e+00 -1.3316910000e+00  2.7309360000e+00 -7.4288200000e-01 -2.2235770000e+00  2.5512030000e+00 -1.1574390000e+00 -9.3887500000e-01  1.8659450000e+00
-ENERGY -1.526544498716e+02
-FORCES  1.0365000000e-03  1.0187000000e-03 -4.7489000000e-03 -9.7590000000e-04 -3.4234000000e-03  1.7035000000e-03  1.8600000000e-05  2.5164000000e-03  3.0021000000e-03  9.7530000000e-04 -1.7105000000e-03 -4.5013000000e-03 -1.2686000000e-03  3.4708000000e-03  8.0730000000e-04  2.1420000000e-04 -1.8719000000e-03  3.7372000000e-03
-
-JOB 78
-COORDS -7.9688400000e-01 -3.3849200000e+00 -1.0209200000e-01 -1.6950210000e+00 -3.0542680000e+00 -8.6205000000e-02 -4.9015300000e-01 -3.2898170000e+00  7.9963100000e-01  8.0526600000e-01  3.3361520000e+00 -7.2800000000e-03  8.6290400000e-01  4.2479080000e+00  2.7839700000e-01  1.2410400000e+00  2.8396240000e+00  6.8539100000e-01
-ENERGY -1.526539710066e+02
-FORCES -2.4843000000e-03  1.9086000000e-03  3.5853000000e-03  3.6562000000e-03 -1.4815000000e-03  2.5200000000e-05 -1.1812000000e-03 -4.0280000000e-04 -3.6068000000e-03  2.1633000000e-03  1.6829000000e-03  3.8559000000e-03 -2.7680000000e-04 -3.7429000000e-03 -1.1402000000e-03 -1.8772000000e-03  2.0357000000e-03 -2.7193000000e-03
-
-JOB 79
-COORDS -2.6323700000e-01  3.3212250000e+00  1.4666730000e+00 -6.6001500000e-01  2.7482150000e+00  8.1058000000e-01 -5.0456100000e-01  4.2053900000e+00  1.1905430000e+00  3.1238600000e-01 -3.3100810000e+00 -1.4710380000e+00  8.8851700000e-01 -3.9117020000e+00 -9.9949100000e-01 -4.8079300000e-01 -3.2690860000e+00 -9.3679100000e-01
-ENERGY -1.526541935155e+02
-FORCES -2.4725000000e-03  1.2620000000e-03 -3.9581000000e-03  1.4932000000e-03  2.3432000000e-03  2.8070000000e-03  9.5070000000e-04 -3.5862000000e-03  1.1678000000e-03 -7.4600000000e-04 -2.3914000000e-03  4.1807000000e-03 -2.3961000000e-03  2.4277000000e-03 -1.9617000000e-03  3.1707000000e-03 -5.5300000000e-05 -2.2357000000e-03
-
-JOB 80
-COORDS  1.0574140000e+00  3.6717810000e+00  2.5925000000e-01  9.1594400000e-01  4.5243190000e+00  6.7082900000e-01  1.9366940000e+00  3.4144030000e+00  5.3647600000e-01 -1.0765000000e+00 -3.7580360000e+00 -2.5606200000e-01 -1.7254160000e+00 -3.0820000000e+00 -6.0834000000e-02 -8.0936900000e-01 -3.5809510000e+00 -1.1580120000e+00
-ENERGY -1.526543113756e+02
-FORCES  3.0789000000e-03  2.4579000000e-03  2.8697000000e-03  5.5730000000e-04 -3.4806000000e-03 -1.6905000000e-03 -3.6084000000e-03  1.0642000000e-03 -1.1663000000e-03 -1.5350000000e-03  3.6838000000e-03 -2.8839000000e-03  2.5812000000e-03 -2.8860000000e-03 -7.7280000000e-04 -1.0740000000e-03 -8.3940000000e-04  3.6438000000e-03
-
-JOB 81
-COORDS  2.2695400000e+00 -3.8048100000e-01  3.5095380000e+00  1.3780120000e+00 -3.8143200000e-01  3.8579760000e+00  2.6852620000e+00 -1.1430670000e+00  3.9118670000e+00 -2.2769020000e+00  4.8153900000e-01 -3.5689820000e+00 -1.4624050000e+00  1.0028700000e-01 -3.8968150000e+00 -2.5804500000e+00 -1.3632100000e-01 -2.9038960000e+00
-ENERGY -1.526540872743e+02
-FORCES -1.8969000000e-03 -3.0140000000e-03  3.1761000000e-03  3.6232000000e-03 -5.8400000000e-05 -1.4822000000e-03 -1.7209000000e-03  3.0868000000e-03 -1.6927000000e-03  2.2255000000e-03 -4.0222000000e-03  1.4379000000e-03 -3.3865000000e-03  1.5176000000e-03  1.2767000000e-03  1.1556000000e-03  2.4901000000e-03 -2.7158000000e-03
-
-JOB 82
-COORDS -4.0189500000e-01  2.6735050000e+00  3.8555670000e+00  2.8686400000e-01  3.1770840000e+00  4.2894450000e+00 -9.2672900000e-01  3.3299130000e+00  3.3974080000e+00  3.7766100000e-01 -2.8099600000e+00 -3.8664770000e+00  1.2474900000e+00 -2.4267280000e+00 -3.7535020000e+00 -2.2398200000e-01 -2.0713630000e+00 -3.7730360000e+00
-ENERGY -1.526540819051e+02
-FORCES  6.3650000000e-04  4.7388000000e-03  1.9000000000e-05 -2.8026000000e-03 -2.0556000000e-03 -1.8150000000e-03  2.1646000000e-03 -2.6966000000e-03  1.8063000000e-03  1.0823000000e-03  4.5734000000e-03  9.8320000000e-04 -3.5288000000e-03 -1.5604000000e-03 -5.3030000000e-04  2.4479000000e-03 -2.9996000000e-03 -4.6330000000e-04
-
-JOB 83
-COORDS  9.9874000000e-01  4.6291350000e+00 -2.7070010000e+00  4.1086200000e-01  4.2236160000e+00 -2.0696740000e+00  9.2770000000e-01  5.5681590000e+00 -2.5354820000e+00 -1.0129050000e+00 -4.6876450000e+00  2.6825840000e+00 -2.3954100000e-01 -4.4474420000e+00  3.1929190000e+00 -8.2142400000e-01 -4.3789550000e+00  1.7969900000e+00
-ENERGY -1.526541003049e+02
-FORCES -2.7149000000e-03  2.2416000000e-03  3.2671000000e-03  2.4250000000e-03  1.6048000000e-03 -2.5849000000e-03  2.9740000000e-04 -3.8469000000e-03 -6.8860000000e-04  3.9681000000e-03  2.1822000000e-03 -1.5523000000e-03 -3.1721000000e-03 -9.5460000000e-04 -2.0713000000e-03 -8.0340000000e-04 -1.2271000000e-03  3.6300000000e-03
-
-JOB 84
-COORDS  9.3851700000e-01 -4.9749530000e+00  3.6962960000e+00  1.4565370000e+00 -4.9545070000e+00  2.8916410000e+00  5.8174800000e-01 -4.0901820000e+00  3.7745810000e+00 -9.5037700000e-01  4.9008850000e+00 -3.7148970000e+00 -6.3688600000e-01  4.4562940000e+00 -2.9273100000e+00 -1.2210820000e+00  5.7668900000e+00 -3.4099590000e+00
-ENERGY -1.526540367929e+02
-FORCES  6.5520000000e-04  3.6570000000e-03 -2.9768000000e-03 -2.1146000000e-03 -6.1700000000e-05  3.2939000000e-03  1.4588000000e-03 -3.5882000000e-03 -3.1660000000e-04  1.5830000000e-04  1.7688000000e-03  4.4298000000e-03 -1.2700000000e-03  1.7767000000e-03 -3.1987000000e-03  1.1122000000e-03 -3.5527000000e-03 -1.2315000000e-03
-
-JOB 85
-COORDS  4.0315700000e-01  5.2508710000e+00  3.3095480000e+00  1.2450620000e+00  5.4265460000e+00  2.8893520000e+00  1.7109700000e-01  6.0757350000e+00  3.7361380000e+00 -4.0160700000e-01 -5.3127320000e+00 -3.3645510000e+00 -2.1508300000e-01 -5.6235050000e+00 -2.4786280000e+00 -1.2670180000e+00 -4.9088460000e+00 -3.2999620000e+00
-ENERGY -1.526541257385e+02
-FORCES  2.5021000000e-03  4.0969000000e-03  1.7100000000e-05 -3.4398000000e-03 -7.2140000000e-04  1.7208000000e-03  9.4020000000e-04 -3.3692000000e-03 -1.7362000000e-03 -2.7730000000e-03  4.2090000000e-04  3.9073000000e-03 -7.5380000000e-04  1.2414000000e-03 -3.6247000000e-03  3.5243000000e-03 -1.6686000000e-03 -2.8420000000e-04
-
-JOB 86
-COORDS  4.5152590000e+00  2.6700390000e+00  3.5201280000e+00  3.8512780000e+00  1.9856000000e+00  3.6032220000e+00  5.2615400000e+00  2.2320140000e+00  3.1109460000e+00 -4.4969090000e+00 -2.5708350000e+00 -3.5477300000e+00 -4.3268920000e+00 -2.5072430000e+00 -2.6079000000e+00 -5.0973950000e+00 -3.3113110000e+00 -3.6334210000e+00
-ENERGY -1.526540553421e+02
-FORCES  3.4640000000e-04 -4.5647000000e-03 -1.3613000000e-03  2.6978000000e-03  2.7830000000e-03 -3.2310000000e-04 -3.0475000000e-03  1.7796000000e-03  1.6850000000e-03 -1.7960000000e-03 -2.7467000000e-03  3.4673000000e-03 -6.6530000000e-04 -2.6800000000e-04 -3.8254000000e-03  2.4646000000e-03  3.0168000000e-03  3.5760000000e-04
-
-JOB 87
-COORDS -8.4783810000e+00 -6.2145800000e-01  3.7184950000e+00 -8.0705480000e+00  1.4915700000e-01  3.3234550000e+00 -8.9232840000e+00 -1.0568480000e+00  2.9913580000e+00  8.5027790000e+00  6.6240300000e-01 -3.6385900000e+00  8.8754380000e+00 -1.9805800000e-01 -3.4463280000e+00  7.7360110000e+00  4.7621300000e-01 -4.1804670000e+00
-ENERGY -1.526540708647e+02
-FORCES -1.5500000000e-04  1.3767000000e-03 -4.5712000000e-03 -1.6628000000e-03 -3.1491000000e-03  1.6074000000e-03  1.8181000000e-03  1.7721000000e-03  2.9637000000e-03 -1.5983000000e-03 -4.2733000000e-03 -1.4213000000e-03 -1.5241000000e-03  3.5112000000e-03 -7.8770000000e-04  3.1222000000e-03  7.6250000000e-04  2.2091000000e-03
-
-JOB 88
-COORDS -8.3291160000e+00 -4.8734070000e+00  8.8282800000e-01 -8.4087840000e+00 -3.9686400000e+00  5.8069800000e-01 -7.5993220000e+00 -4.8562900000e+00  1.5019720000e+00  8.3135760000e+00  4.8840850000e+00 -8.8839300000e-01  8.5242060000e+00  4.3087690000e+00 -1.6238390000e+00  7.6864440000e+00  4.3849140000e+00 -3.6516800000e-01
-ENERGY -1.526540634529e+02
-FORCES  2.6371000000e-03  3.7608000000e-03  1.2988000000e-03  3.3360000000e-04 -3.6920000000e-03  1.2308000000e-03 -2.9696000000e-03 -6.9100000000e-05 -2.5301000000e-03 -1.6848000000e-03 -4.3820000000e-03 -8.6980000000e-04 -8.6650000000e-04  2.3461000000e-03  3.0032000000e-03  2.5502000000e-03  2.0362000000e-03 -2.1330000000e-03
-
-JOB 89
-COORDS  8.3036500000e+00 -9.3703400000e-01 -5.7098490000e+00  8.5310970000e+00 -1.6392000000e-02 -5.5797820000e+00  7.4155760000e+00 -9.1677300000e-01 -6.0664250000e+00 -8.2886950000e+00  9.0266800000e-01  5.7891920000e+00 -8.6313950000e+00  1.2547650000e+00  4.9677200000e+00 -7.5863420000e+00  3.0987400000e-01  5.5217440000e+00
-ENERGY -1.526540666416e+02
-FORCES -2.6826000000e-03  3.8400000000e-03 -9.2970000000e-04 -9.3450000000e-04 -3.7568000000e-03 -5.2880000000e-04  3.6167000000e-03 -8.3700000000e-05  1.4590000000e-03  1.4639000000e-03 -9.8840000000e-04 -4.4362000000e-03  1.4008000000e-03 -1.4337000000e-03  3.3486000000e-03 -2.8643000000e-03  2.4225000000e-03  1.0870000000e-03
-
-JOB 0
-COORDS -1.0348780000e+00  4.7781700000e-01 -3.9974700000e-01 -1.2348550000e+00  9.9927900000e-01 -1.1771260000e+00 -1.8282350000e+00  5.2793000000e-01  1.3345600000e-01  1.1094160000e+00 -5.8694700000e-01  4.2664600000e-01  2.8376100000e-01 -1.6330300000e-01  1.9201700000e-01  1.7365800000e+00  1.3263900000e-01  4.9800500000e-01
-ENERGY -1.526559671557e+02
-FORCES  1.5222000000e-02 -6.4919000000e-03  3.8073000000e-03 -1.3883000000e-03 -1.7555000000e-03  5.0697000000e-03  4.0782000000e-03  5.6400000000e-04 -3.9359000000e-03 -1.8316300000e-02  1.1143600000e-02 -7.7391000000e-03  2.9722000000e-03 -2.5828000000e-03  3.9233000000e-03 -2.5679000000e-03 -8.7740000000e-04 -1.1252000000e-03
-
-JOB 1
-COORDS -5.9849000000e-02  1.1031160000e+00  5.9428700000e-01 -8.0606100000e-01  1.0961830000e+00  1.1937460000e+00 -1.6819400000e-01  1.9066290000e+00  8.5505000000e-02  8.0739000000e-02 -1.1893610000e+00 -6.3835600000e-01  8.3654400000e-01 -1.3858320000e+00 -8.4831000000e-02 -1.1499300000e-01 -2.6959000000e-01 -4.5963300000e-01
-ENERGY -1.526573200043e+02
-FORCES -1.6798000000e-03 -7.3624000000e-03 -1.7930000000e-03  4.0723000000e-03  5.8920000000e-04 -4.1497000000e-03 -4.9080000000e-04 -6.4019000000e-03  1.5910000000e-03  2.1053000000e-03  1.8432600000e-02  1.1770900000e-02 -1.6105000000e-03 -1.1429000000e-03 -1.3380000000e-03 -2.3966000000e-03 -4.1145000000e-03 -6.0812000000e-03
-
-JOB 2
-COORDS  9.0618000000e-01  8.6929100000e-01  1.5142900000e-01  8.5655000000e-01  7.2828500000e-01  1.0968850000e+00  1.8282870000e+00  1.0658770000e+00 -1.3815000000e-02 -9.4080000000e-01 -9.3645300000e-01 -1.8133100000e-01 -4.4204900000e-01 -1.2529000000e-01 -8.3894000000e-02 -1.7855760000e+00 -6.5777200000e-01 -5.3477400000e-01
-ENERGY -1.526565995571e+02
-FORCES -2.8976000000e-03 -8.9012000000e-03 -2.9185000000e-03 -1.8690000000e-03 -2.9550000000e-04 -6.8617000000e-03 -3.7055000000e-03 -1.5800000000e-04  3.2841000000e-03  1.0630000000e-02  1.0771600000e-02 -1.7449000000e-03 -5.9114000000e-03 -2.4532000000e-03  7.2310000000e-03  3.7535000000e-03  1.0362000000e-03  1.0099000000e-03
-
-JOB 3
-COORDS  2.1659100000e-01  7.9717600000e-01  1.0862690000e+00  2.2254800000e-01  2.3273900000e-01  3.1321900000e-01  8.8507500000e-01  4.2417000000e-01  1.6609230000e+00 -2.3031700000e-01 -6.7900300000e-01 -1.0566150000e+00 -1.1455210000e+00 -9.5287900000e-01 -1.1168260000e+00  2.7005400000e-01 -1.4612810000e+00 -1.2887830000e+00
-ENERGY -1.526591139336e+02
-FORCES -1.6688000000e-03 -1.0237500000e-02 -1.3495500000e-02  2.6872000000e-03  4.8426000000e-03  8.0713000000e-03 -1.6997000000e-03 -5.2980000000e-04 -3.2257000000e-03 -1.7385000000e-03  2.3133000000e-03  7.2915000000e-03  5.4467000000e-03 -1.1030000000e-04 -8.1720000000e-04 -3.0268000000e-03  3.7217000000e-03  2.1756000000e-03
-
-JOB 4
-COORDS  4.5845300000e-01  3.6510000000e-02 -1.1928180000e+00  1.1058010000e+00  7.4025900000e-01 -1.1491160000e+00  6.5241400000e-01 -4.1739600000e-01 -2.0129280000e+00 -5.7973700000e-01 -6.6160000000e-02  1.2331920000e+00 -9.4872000000e-02  1.7617400000e-01  2.0221230000e+00  8.0745000000e-02 -8.0578000000e-02  5.4052500000e-01
-ENERGY -1.526563283066e+02
-FORCES -2.1189000000e-03 -1.3518000000e-03  2.4103000000e-03 -3.2118000000e-03 -5.2293000000e-03  2.5614000000e-03 -4.2910000000e-04  3.9760000000e-03  3.1800000000e-03  4.7520000000e-03 -1.4719000000e-03 -1.1533400000e-02  2.2240000000e-04 -6.6000000000e-05 -4.8221000000e-03  7.8540000000e-04  4.1430000000e-03  8.2038000000e-03
-
-JOB 5
-COORDS -6.8702100000e-01 -1.1740340000e+00 -1.7608600000e-01 -5.6663300000e-01 -2.5153400000e-01  4.9151000000e-02 -9.9571800000e-01 -1.5804790000e+00  6.3369200000e-01  6.6072800000e-01  1.1026040000e+00  1.5232600000e-01  1.5987700000e+00  1.0396060000e+00 -2.7508000000e-02  3.7201400000e-01  1.8681660000e+00 -3.4445500000e-01
-ENERGY -1.526581836004e+02
-FORCES  6.9892000000e-03  1.1825000000e-02  3.7122000000e-03 -7.7518000000e-03 -4.9113000000e-03 -1.1290000000e-03  1.8569000000e-03  2.5111000000e-03 -1.9421000000e-03  2.2225000000e-03 -7.4442000000e-03 -3.5392000000e-03 -3.9042000000e-03  3.0971000000e-03  8.5490000000e-04  5.8740000000e-04 -5.0776000000e-03  2.0431000000e-03
-
-JOB 6
-COORDS  5.8819400000e-01 -6.1560000000e-01  9.7090100000e-01  3.3151300000e-01 -1.4312070000e+00  1.4011700000e+00  8.5584000000e-01 -4.0161000000e-02  1.6874670000e+00 -5.5935600000e-01  6.8482100000e-01 -1.0521390000e+00 -1.4052330000e+00  3.9726300000e-01 -1.3956990000e+00 -2.6277300000e-01 -4.2444000000e-02 -5.0500400000e-01
-ENERGY -1.526588778053e+02
-FORCES -2.5696000000e-03  6.6035000000e-03 -9.3610000000e-04  3.0850000000e-04  4.5162000000e-03 -2.2913000000e-03 -7.4520000000e-04 -4.9346000000e-03 -1.7366000000e-03  4.9623000000e-03 -7.4733000000e-03  1.0297800000e-02  2.9587000000e-03 -8.3480000000e-04  2.6560000000e-03 -4.9147000000e-03  2.1230000000e-03 -7.9899000000e-03
-
-JOB 7
-COORDS  7.2040900000e-01  1.0506020000e+00  3.2604800000e-01  7.5763300000e-01  5.8817900000e-01  1.1633120000e+00  1.1960200000e+00  1.8666530000e+00  4.8124500000e-01 -7.5628400000e-01 -1.1402540000e+00 -3.7532100000e-01 -1.2703740000e+00 -6.2019000000e-01 -9.9295900000e-01 -1.6681800000e-01 -5.0907000000e-01  3.7435000000e-02
-ENERGY -1.526537722531e+02
-FORCES -4.2720000000e-04 -1.7053000000e-03  8.0650000000e-04 -3.2990000000e-03 -1.7869000000e-03 -8.8553000000e-03 -2.4927000000e-03 -3.9972000000e-03  1.8000000000e-04  4.1776000000e-03  1.2805700000e-02 -2.6401000000e-03  1.0400000000e-04 -2.9960000000e-03  1.0022000000e-03  1.9373000000e-03 -2.3204000000e-03  9.5067000000e-03
-
-JOB 8
-COORDS  9.6029800000e-01  9.8945500000e-01 -3.3203000000e-01  6.0749000000e-01  9.9669000000e-02 -3.2581900000e-01  1.0239630000e+00  1.2288350000e+00  5.9256500000e-01 -9.3150000000e-01 -8.8791700000e-01  3.0312100000e-01 -1.3165980000e+00 -1.1947000000e+00 -5.1774100000e-01 -7.6813800000e-01 -1.6865720000e+00  8.0481200000e-01
-ENERGY -1.526575393737e+02
-FORCES -1.0668300000e-02 -9.1433000000e-03  7.7150000000e-03  6.0482000000e-03  2.5101000000e-03 -5.0528000000e-03  1.3054000000e-03  1.8960000000e-04 -2.3642000000e-03 -1.1678000000e-03  7.9100000000e-05 -1.5693000000e-03  4.1750000000e-03  1.4476000000e-03  4.2439000000e-03  3.0750000000e-04  4.9169000000e-03 -2.9727000000e-03
-
-JOB 9
-COORDS -9.5838000000e-02  7.3177800000e-01  1.0916940000e+00  5.7469400000e-01  1.1408430000e+00  1.6387640000e+00 -6.7633900000e-01  2.9150600000e-01  1.7125090000e+00  1.4299500000e-01 -7.5657600000e-01 -1.1920580000e+00  1.4421800000e-01 -2.0248500000e-01 -4.1153800000e-01 -7.8339700000e-01 -8.6900800000e-01 -1.4051030000e+00
-ENERGY -1.526604020986e+02
-FORCES  1.5401000000e-03 -3.2966000000e-03 -4.9780000000e-04 -4.1697000000e-03 -2.4278000000e-03 -1.5865000000e-03  3.1083000000e-03  2.6014000000e-03 -3.0930000000e-03 -2.9228000000e-03  8.7908000000e-03  1.1100800000e-02  2.2800000000e-04 -5.7592000000e-03 -7.5542000000e-03  2.2160000000e-03  9.1400000000e-05  1.6307000000e-03
-
-JOB 10
-COORDS -9.2296400000e-01  8.5531000000e-01 -3.7954200000e-01 -5.9335800000e-01  1.7092260000e+00 -6.5957500000e-01 -1.6057600000e+00  6.4134600000e-01 -1.0153420000e+00  9.9428500000e-01 -9.0556600000e-01  3.9400300000e-01  8.8783300000e-01 -1.2967730000e+00  1.2611000000e+00  2.1285200000e-01 -3.6530700000e-01  2.7689100000e-01
-ENERGY -1.526611463548e+02
-FORCES  4.3896000000e-03 -1.4710000000e-03 -2.2432000000e-03 -3.1814000000e-03 -3.8535000000e-03  4.3540000000e-04  3.2849000000e-03  2.1687000000e-03  2.7701000000e-03 -9.7687000000e-03  8.0014000000e-03 -2.3252000000e-03 -1.2433000000e-03  2.0978000000e-03 -2.7540000000e-03  6.5190000000e-03 -6.9434000000e-03  4.1169000000e-03
-
-JOB 11
-COORDS  9.2660800000e-01  1.3223000000e-02 -1.0593450000e+00  2.7575400000e-01 -2.2062200000e-01 -3.9757700000e-01  8.6968600000e-01 -6.8671800000e-01 -1.7097870000e+00 -8.4654400000e-01 -1.1825000000e-02  1.0283950000e+00 -5.9089500000e-01  8.6683700000e-01  1.3091580000e+00 -1.7820120000e+00 -6.3732000000e-02  1.2244500000e+00
-ENERGY -1.526609530796e+02
-FORCES -8.6789000000e-03 -3.1892000000e-03  7.3578000000e-03  7.7004000000e-03  1.9207000000e-03 -5.9239000000e-03 -1.0447000000e-03  1.6411000000e-03  2.5376000000e-03 -1.5540000000e-04  3.3455000000e-03 -2.4379000000e-03 -2.1424000000e-03 -5.0551000000e-03 -1.6322000000e-03  4.3210000000e-03  1.3370000000e-03  9.8600000000e-05
-
-JOB 12
-COORDS  1.3419200000e-01 -4.0395000000e-01  1.3730150000e+00  1.5062900000e-01 -4.3449900000e-01  4.1644400000e-01 -6.0190600000e-01  1.7107600000e-01  1.5821480000e+00 -9.8783000000e-02  3.7284100000e-01 -1.2728830000e+00 -6.2794900000e-01 -9.3902000000e-02 -1.9196960000e+00  5.7840300000e-01  8.1124600000e-01 -1.7881030000e+00
-ENERGY -1.526601784907e+02
-FORCES -3.2017000000e-03  6.1851000000e-03 -1.2496600000e-02  7.0310000000e-04 -4.6389000000e-03  6.8676000000e-03  1.6119000000e-03 -1.8795000000e-03  7.6010000000e-04  1.9808000000e-03  5.0790000000e-04 -1.9440000000e-04  3.1070000000e-03  2.3278000000e-03  3.6276000000e-03 -4.2011000000e-03 -2.5023000000e-03  1.4357000000e-03
-
-JOB 13
-COORDS -4.1768800000e-01 -9.8332000000e-01 -7.8700000000e-01 -2.3962100000e-01 -8.3265200000e-01 -1.7153440000e+00 -2.1413200000e-01 -1.9086390000e+00 -6.5068600000e-01  3.5058700000e-01  1.0592090000e+00  8.7319000000e-01  1.2988780000e+00  1.1882790000e+00  8.5541700000e-01  1.8442700000e-01  4.0656100000e-01  1.9298900000e-01
-ENERGY -1.526600503452e+02
-FORCES  1.5665000000e-03 -1.2421000000e-03  1.7502000000e-03  4.4860000000e-04 -4.6290000000e-04  5.7273000000e-03 -9.0280000000e-04  4.4273000000e-03 -2.4450000000e-03 -1.9994000000e-03 -1.0395400000e-02 -7.7220000000e-03 -2.8640000000e-03 -1.4703000000e-03 -9.8300000000e-04  3.7511000000e-03  9.1434000000e-03  3.6725000000e-03
-
-JOB 14
-COORDS  8.0361500000e-01  4.7663100000e-01  1.0969780000e+00  5.2120000000e-02  9.1791400000e-01  1.4929030000e+00  4.3227000000e-01 -2.5473000000e-02  3.7156400000e-01 -6.9846900000e-01 -4.7356500000e-01 -1.0285040000e+00 -7.4777900000e-01 -1.0743660000e+00 -1.7720350000e+00 -1.4208490000e+00  1.3906000000e-01 -1.1666680000e+00
-ENERGY -1.526596211033e+02
-FORCES -8.3917000000e-03 -4.3673000000e-03 -8.6284000000e-03  1.7207000000e-03 -6.1760000000e-04 -1.5549000000e-03  4.1591000000e-03  2.9719000000e-03  6.4653000000e-03  4.9550000000e-04  1.9380000000e-03  2.5570000000e-04 -1.0191000000e-03  3.6748000000e-03  2.9432000000e-03  3.0354000000e-03 -3.5998000000e-03  5.1920000000e-04
-
-JOB 15
-COORDS -2.4167500000e-01 -4.7671000000e-01  1.3381260000e+00 -3.0175900000e-01 -1.7824400000e-01  4.3063600000e-01  2.8527000000e-01 -1.2745880000e+00  1.2939550000e+00  2.6179200000e-01  4.9566400000e-01 -1.2327660000e+00 -2.3378200000e-01 -1.9287300000e-01 -1.6761120000e+00 -4.1813000000e-02  1.3083060000e+00 -1.6373240000e+00
-ENERGY -1.526580554762e+02
-FORCES  5.4059000000e-03  4.1313000000e-03 -1.1064900000e-02 -4.9474000000e-03 -6.8468000000e-03  5.2321000000e-03 -2.1437000000e-03  2.0726000000e-03 -6.4060000000e-04 -1.4118000000e-03  2.2966000000e-03 -1.5018000000e-03  1.7805000000e-03  3.2012000000e-03  6.5527000000e-03  1.3166000000e-03 -4.8549000000e-03  1.4225000000e-03
-
-JOB 16
-COORDS -9.6113300000e-01 -4.3467200000e-01  9.0427700000e-01 -3.3131800000e-01 -1.1473030000e+00  1.0125500000e+00 -1.6658920000e+00 -8.1485700000e-01  3.7986600000e-01  1.0245900000e+00  4.9275300000e-01 -8.8349500000e-01  5.1602400000e-01  1.0782800000e+00 -1.4445210000e+00  3.8047400000e-01  1.1446600000e-01 -2.8495900000e-01
-ENERGY -1.526581387172e+02
-FORCES -1.3254000000e-03 -4.2508000000e-03 -8.2920000000e-04 -1.4864000000e-03  7.3085000000e-03 -4.8050000000e-03  4.6393000000e-03  2.5675000000e-03  1.9969000000e-03 -1.1807600000e-02  2.7680000000e-04  6.9252000000e-03  1.3700000000e-03 -2.0592000000e-03  1.1148000000e-03  8.6102000000e-03 -3.8428000000e-03 -4.4029000000e-03
-
-JOB 17
-COORDS -5.2675500000e-01 -1.6791500000e-01 -1.3450110000e+00 -3.0100400000e-01  2.3092800000e-01 -5.0465800000e-01 -1.9974200000e-01 -1.0651970000e+00 -1.2803530000e+00  5.2075700000e-01  1.3605600000e-01  1.2675090000e+00 -3.7725800000e-01  3.1159400000e-01  1.5485550000e+00  9.9228700000e-01  9.4904000000e-01  1.4490280000e+00
-ENERGY -1.526580154502e+02
-FORCES  8.3889000000e-03 -2.2583000000e-03  1.1364900000e-02 -7.4116000000e-03  2.6366000000e-03 -3.8229000000e-03 -2.0603000000e-03  1.8558000000e-03 -1.7760000000e-03 -2.2940000000e-04  2.0354000000e-03  2.3073000000e-03  4.8645000000e-03 -2.4620000000e-04 -6.1940000000e-03 -3.5520000000e-03 -4.0233000000e-03 -1.8793000000e-03
-
-JOB 18
-COORDS  3.3388800000e-01 -1.4107740000e+00 -3.2980000000e-02  4.3940000000e-02 -5.2957700000e-01  2.0293000000e-01  1.0358580000e+00 -1.2703740000e+00 -6.6839800000e-01 -3.0855200000e-01  1.3272060000e+00  9.2876000000e-02 -3.3877600000e-01  1.4700360000e+00 -8.5312500000e-01 -1.1575920000e+00  1.6357040000e+00  4.0940800000e-01
-ENERGY -1.526602241315e+02
-FORCES -2.6340000000e-04  1.3257800000e-02  6.7130000000e-04  1.0950000000e-03 -9.7653000000e-03 -1.3184000000e-03 -2.5057000000e-03 -1.2910000000e-04  9.3070000000e-04 -3.0378000000e-03  1.0750000000e-04 -3.1121000000e-03  4.5620000000e-04 -1.5569000000e-03  5.0800000000e-03  4.2557000000e-03 -1.9140000000e-03 -2.2516000000e-03
-
-JOB 19
-COORDS  1.3507270000e+00  8.0186000000e-02 -5.0033800000e-01  4.5529700000e-01  7.4369000000e-02 -1.6210200000e-01  1.6799510000e+00  9.5471800000e-01 -2.9288200000e-01 -1.3404110000e+00 -6.3633000000e-02  4.7786100000e-01 -7.7363500000e-01 -5.6588700000e-01  1.0632990000e+00 -1.5325890000e+00 -6.6336500000e-01 -2.4298700000e-01
-ENERGY -1.526576679558e+02
-FORCES -9.8239000000e-03  5.4114000000e-03  2.9794000000e-03  7.3732000000e-03 -6.7829000000e-03  9.2810000000e-04 -1.1478000000e-03 -3.0712000000e-03 -2.4560000000e-04 -1.3429000000e-03 -5.7361000000e-03 -5.1200000000e-05  1.3321000000e-03  5.8664000000e-03 -7.4902000000e-03  3.6094000000e-03  4.3124000000e-03  3.8794000000e-03
-
-JOB 20
-COORDS  1.3564430000e+00  9.6348000000e-02 -2.5350300000e-01  1.6198620000e+00 -3.9123100000e-01 -1.0339570000e+00  1.5703040000e+00 -4.8502600000e-01  4.7622200000e-01 -1.4414490000e+00 -7.1422000000e-02  2.1739200000e-01 -1.5751420000e+00  5.4397600000e-01  9.3825500000e-01 -4.9457800000e-01 -7.4764000000e-02  7.7186000000e-02
-ENERGY -1.526603415598e+02
-FORCES  2.6023000000e-03 -3.2211000000e-03 -1.8411000000e-03 -1.5591000000e-03  2.0342000000e-03  4.8405000000e-03 -4.5079000000e-03  3.3003000000e-03 -4.1072000000e-03  1.1542900000e-02  4.3370000000e-03 -1.5196000000e-03  1.1114000000e-03 -2.2829000000e-03 -1.7256000000e-03 -9.1896000000e-03 -4.1675000000e-03  4.3530000000e-03
-
-JOB 21
-COORDS -1.0659070000e+00  3.9951000000e-01  7.8096700000e-01 -1.1637510000e+00  1.2701180000e+00  1.1665850000e+00 -8.1378000000e-01 -1.6103100000e-01  1.5147630000e+00  1.0935550000e+00 -3.7442400000e-01 -8.8141800000e-01  3.9599600000e-01 -1.1637000000e-01 -2.7888000000e-01  1.1404970000e+00 -1.3270280000e+00 -8.0034000000e-01
-ENERGY -1.526597786774e+02
-FORCES  4.4410000000e-04  2.9859000000e-03  3.1138000000e-03  2.0800000000e-04 -5.0311000000e-03 -9.8080000000e-04  9.5230000000e-04  2.5257000000e-03 -5.9843000000e-03 -9.8843000000e-03  1.8971000000e-03  5.3972000000e-03  9.1528000000e-03 -5.5119000000e-03 -2.7649000000e-03 -8.7300000000e-04  3.1343000000e-03  1.2191000000e-03
-
-JOB 22
-COORDS  3.6701400000e-01  5.1078000000e-01  1.2054830000e+00 -1.7843400000e-01  2.4727000000e-01  1.9466180000e+00  5.1257100000e-01  1.4478260000e+00  1.3358220000e+00 -3.8671200000e-01 -5.9417200000e-01 -1.2417310000e+00  1.6744200000e-01 -4.0485000000e-02 -6.9166200000e-01 -1.4552600000e-01 -3.6005800000e-01 -2.1379740000e+00
-ENERGY -1.526592359617e+02
-FORCES -5.1762000000e-03 -1.2002000000e-03  2.1173000000e-03  3.3569000000e-03  2.8317000000e-03 -1.8334000000e-03 -8.2920000000e-04 -4.4347000000e-03 -1.6596000000e-03  3.6551000000e-03  3.9189000000e-03  6.8993000000e-03 -1.0142000000e-03 -1.8438000000e-03 -9.7659000000e-03  7.6000000000e-06  7.2810000000e-04  4.2423000000e-03
-
-JOB 23
-COORDS -8.5795700000e-01  6.8252000000e-01 -9.3409700000e-01 -5.0375600000e-01  1.3401150000e+00 -1.5327140000e+00 -8.6332000000e-02  2.4465000000e-01 -5.7479500000e-01  8.2221200000e-01 -6.3433200000e-01  9.2896400000e-01  1.0159720000e+00 -1.5048670000e+00  5.8131900000e-01  1.3092300000e-01 -7.8205200000e-01  1.5743560000e+00
-ENERGY -1.526609598970e+02
-FORCES  8.1101000000e-03 -2.5045000000e-03  5.5412000000e-03  8.1700000000e-05 -2.7378000000e-03  2.4331000000e-03 -6.2439000000e-03  2.9496000000e-03 -8.5410000000e-03 -4.2526000000e-03 -2.7130000000e-03  3.6097000000e-03 -1.9571000000e-03  5.3427000000e-03  2.0440000000e-04  4.2617000000e-03 -3.3700000000e-04 -3.2474000000e-03
-
-JOB 24
-COORDS  1.3729210000e+00 -2.0093200000e-01 -4.4913200000e-01  1.1992210000e+00 -3.8134200000e-01 -1.3729900000e+00  5.0528700000e-01 -1.3382700000e-01 -5.0459000000e-02 -1.2496890000e+00  2.2456900000e-01  4.6430800000e-01 -1.6664700000e+00  2.0718700000e-01  1.3258320000e+00 -1.9404550000e+00 -4.2983000000e-02 -1.4190200000e-01
-ENERGY -1.526603881469e+02
-FORCES -1.1770100000e-02  1.7487000000e-03  2.1007000000e-03 -2.5220000000e-04  3.9440000000e-04  2.5683000000e-03  8.6380000000e-03 -2.0603000000e-03 -3.5501000000e-03 -6.9380000000e-04 -1.2107000000e-03  4.8640000000e-04  7.1520000000e-04 -1.2800000000e-05 -4.8588000000e-03  3.3629000000e-03  1.1407000000e-03  3.2536000000e-03
-
-JOB 25
-COORDS  1.0996640000e+00  7.3508700000e-01  3.9795200000e-01  1.1002820000e+00  3.5807800000e-01  1.2777790000e+00  2.0062790000e+00  6.5446000000e-01  1.0167400000e-01 -1.1529890000e+00 -7.6465100000e-01 -4.7377400000e-01 -4.1605300000e-01 -1.8888800000e-01 -2.6967900000e-01 -1.8803050000e+00 -4.1524800000e-01  4.1163000000e-02
-ENERGY -1.526611092999e+02
-FORCES  3.5163000000e-03 -2.8562000000e-03  8.3180000000e-04 -9.8820000000e-04  1.6428000000e-03 -5.2919000000e-03 -3.9937000000e-03  3.7960000000e-04  2.7429000000e-03  7.0738000000e-03  8.0303000000e-03  2.5764000000e-03 -8.7114000000e-03 -6.2383000000e-03 -2.6240000000e-04  3.1031000000e-03 -9.5830000000e-04 -5.9680000000e-04
-
-JOB 26
-COORDS  8.5876700000e-01  9.6140400000e-01  5.0996400000e-01  1.6618600000e-01  1.4359100000e+00  5.0174000000e-02  1.0403440000e+00  1.4931840000e+00  1.2848650000e+00 -8.7993200000e-01 -9.9607500000e-01 -5.6405100000e-01 -6.8429700000e-01 -1.9221480000e+00 -4.2141200000e-01 -1.7175700000e-01 -5.2997300000e-01 -1.1967700000e-01
-ENERGY -1.526604409467e+02
-FORCES -2.5689000000e-03  3.3768000000e-03  2.0307000000e-03  3.4206000000e-03 -5.5539000000e-03  3.1651000000e-03 -9.4150000000e-04 -1.0682000000e-03 -4.2319000000e-03  7.5824000000e-03  1.5615000000e-03  5.1384000000e-03 -1.5070000000e-04  3.0011000000e-03  1.5190000000e-04 -7.3420000000e-03 -1.3172000000e-03 -6.2542000000e-03
-
-JOB 27
-COORDS  1.2424840000e+00 -9.1017000000e-02 -6.2568500000e-01  1.7092140000e+00 -3.8590600000e-01  1.5625800000e-01  1.6211550000e+00  7.6581600000e-01 -8.2235200000e-01 -1.3425720000e+00  4.1339000000e-02  6.2634700000e-01 -8.2019100000e-01  8.2965900000e-01  7.7433400000e-01 -9.0421900000e-01 -4.0447300000e-01 -9.8450000000e-02
-ENERGY -1.526577974023e+02
-FORCES  1.9341000000e-03  1.6270000000e-03  3.3637000000e-03 -2.4142000000e-03  2.2000000000e-03 -3.7669000000e-03 -2.4426000000e-03 -3.5081000000e-03  2.2362000000e-03  1.1074900000e-02  1.4206000000e-03 -6.6585000000e-03 -2.3566000000e-03 -3.1300000000e-04  1.9171000000e-03 -5.7957000000e-03 -1.4264000000e-03  2.9084000000e-03
-
-JOB 28
-COORDS -5.2788800000e-01 -1.3063490000e+00  1.0338200000e-01 -7.0564500000e-01 -1.2809210000e+00 -8.3682400000e-01  1.8679000000e-01 -1.9364070000e+00  1.9554800000e-01  4.8915100000e-01  1.3897380000e+00 -1.0175500000e-01  1.9639600000e-01  4.7840700000e-01 -1.0310900000e-01  9.3645500000e-01  1.4968650000e+00  7.3769400000e-01
-ENERGY -1.526597616275e+02
-FORCES  7.9890000000e-04 -4.3329000000e-03 -2.6367000000e-03  3.2101000000e-03  2.8178000000e-03  6.0433000000e-03 -3.3747000000e-03  4.2305000000e-03 -6.1950000000e-04 -3.3213000000e-03 -1.0308800000e-02  5.5837000000e-03  3.4390000000e-03  7.9384000000e-03 -5.7577000000e-03 -7.5200000000e-04 -3.4510000000e-04 -2.6130000000e-03
-
-JOB 29
-COORDS -2.1044600000e-01  1.9281700000e-01  1.4114480000e+00  1.4185000000e-02  1.0493960000e+00  1.7748290000e+00 -9.9248600000e-01  3.5370400000e-01  8.8347000000e-01  1.8883500000e-01 -2.2274800000e-01 -1.4259880000e+00  7.6115400000e-01 -8.5125900000e-01 -1.8660530000e+00  5.7679400000e-01 -1.1171800000e-01 -5.5800600000e-01
-ENERGY -1.526609049322e+02
-FORCES -5.6167000000e-03  3.3089000000e-03  8.1000000000e-05 -5.9540000000e-04 -3.9391000000e-03 -2.7558000000e-03  5.6743000000e-03 -1.1860000000e-04  3.1207000000e-03  3.3280000000e-03 -1.7503000000e-03  6.2002000000e-03 -1.3854000000e-03  2.2662000000e-03  2.5388000000e-03 -1.4048000000e-03  2.3290000000e-04 -9.1848000000e-03
-
-JOB 30
-COORDS  9.9345100000e-01  8.8734800000e-01 -6.1160900000e-01  1.7037600000e+00  7.3281800000e-01 -1.2343550000e+00  7.1006400000e-01  1.1682000000e-02 -3.4867800000e-01 -9.5827900000e-01 -8.1456900000e-01  6.0532900000e-01 -1.5169400000e+00 -1.5687000000e+00  4.1714000000e-01 -1.4482290000e+00 -3.0880000000e-01  1.2536950000e+00
-ENERGY -1.526597560078e+02
-FORCES -3.2937000000e-03 -6.1086000000e-03  1.6621000000e-03 -3.1352000000e-03 -7.2380000000e-04  2.1604000000e-03  7.1006000000e-03  4.8922000000e-03 -3.8450000000e-03 -3.8420000000e-03  2.3132000000e-03  1.4859000000e-03  2.1865000000e-03  3.4345000000e-03  1.0096000000e-03  9.8380000000e-04 -3.8074000000e-03 -2.4730000000e-03
-
-JOB 31
-COORDS  2.9659600000e-01 -1.3157170000e+00  6.1420000000e-01  1.5644200000e-01 -8.6048800000e-01  1.4444740000e+00 -5.6260100000e-01 -1.3153420000e+00  1.9228300000e-01 -2.0534300000e-01  1.3328920000e+00 -6.6741500000e-01 -1.1610220000e+00  1.2800990000e+00 -6.7846300000e-01  6.8284000000e-02  6.1212300000e-01 -1.0009500000e-01
-ENERGY -1.526550461211e+02
-FORCES -4.4332000000e-03 -2.4928000000e-03  2.0527000000e-03  7.6740000000e-04  8.4660000000e-04 -7.3627000000e-03  4.9982000000e-03  4.1563000000e-03  1.9630000000e-03  8.1430000000e-04 -7.1223000000e-03  2.9692000000e-03  3.7520000000e-03 -1.6613000000e-03  7.4890000000e-04 -5.8987000000e-03  6.2735000000e-03 -3.7110000000e-04
-
-JOB 32
-COORDS  3.9772500000e-01 -2.5688600000e-01  1.4212730000e+00  2.0214600000e-01 -2.0459100000e-01  4.8572700000e-01  1.2770800000e+00  1.1215000000e-01  1.5036120000e+00 -4.2828100000e-01  2.3812700000e-01 -1.3035240000e+00  8.2869000000e-02  6.0004300000e-01 -2.0273850000e+00 -1.1365770000e+00 -2.4575500000e-01 -1.7282670000e+00
-ENERGY -1.526610250291e+02
-FORCES -4.7720000000e-04  3.0297000000e-03 -9.6585000000e-03  2.8600000000e-03 -2.5540000000e-03  9.2155000000e-03 -2.4876000000e-03 -9.2840000000e-04 -7.5050000000e-04 -8.6910000000e-04 -3.2730000000e-04 -2.7985000000e-03 -2.8835000000e-03 -1.9546000000e-03  2.9183000000e-03  3.8573000000e-03  2.7346000000e-03  1.0737000000e-03
-
-JOB 33
-COORDS -4.5036100000e-01  7.6098500000e-01  1.1360070000e+00 -6.9016200000e-01  2.0137500000e-01  1.8746300000e+00 -1.2769950000e+00  9.2814500000e-01  6.8327400000e-01  5.1706600000e-01 -7.0348500000e-01 -1.2193320000e+00  6.8181600000e-01 -1.6298930000e+00 -1.0436720000e+00  3.1743400000e-01 -3.2838800000e-01 -3.6161300000e-01
-ENERGY -1.526609186115e+02
-FORCES -5.6723000000e-03  8.9290000000e-04  2.2945000000e-03  1.3320000000e-03  1.9159000000e-03 -4.6559000000e-03  5.1147000000e-03 -2.2258000000e-03  2.3005000000e-03 -7.7800000000e-04  2.4399000000e-03  8.9216000000e-03 -1.0272000000e-03  3.1879000000e-03  4.2200000000e-04  1.0307000000e-03 -6.2108000000e-03 -9.2827000000e-03
-
-JOB 34
-COORDS -5.6738400000e-01  1.3817600000e+00 -2.5497900000e-01  1.0244600000e-01  6.9934300000e-01 -2.9819500000e-01 -7.7255600000e-01  1.4579820000e+00  6.7686100000e-01  5.3760600000e-01 -1.3225480000e+00  1.4368100000e-01 -1.7004400000e-01 -1.7094340000e+00  6.5922200000e-01  1.3062110000e+00 -1.3780190000e+00  7.1148500000e-01
-ENERGY -1.526590499846e+02
-FORCES  4.1419000000e-03 -8.9732000000e-03  3.5771000000e-03 -1.8111000000e-03  8.7902000000e-03 -7.8660000000e-04  1.0070000000e-04 -1.4410000000e-04 -2.5764000000e-03 -2.3014000000e-03 -3.4200000000e-03  3.8154000000e-03  4.2585000000e-03  1.8578000000e-03 -1.5160000000e-03 -4.3886000000e-03  1.8893000000e-03 -2.5135000000e-03
-
-JOB 35
-COORDS  1.2508380000e+00  2.7800100000e-01 -8.3058700000e-01  7.5003400000e-01  2.3166000000e-02 -5.5676000000e-02  7.6675900000e-01  1.0183170000e+00 -1.1964180000e+00 -1.1313470000e+00 -3.2978900000e-01  7.9575600000e-01 -1.7217460000e+00  5.6000000000e-03  1.2108900000e-01 -1.6235230000e+00 -2.3963400000e-01  1.6117630000e+00
-ENERGY -1.526595227271e+02
-FORCES -7.3919000000e-03  3.9220000000e-04  5.7332000000e-03  6.2783000000e-03  1.8694000000e-03 -5.5560000000e-03  9.0540000000e-04 -2.4465000000e-03  3.3750000000e-04 -4.5104000000e-03  8.2210000000e-04  2.7900000000e-04  3.2482000000e-03 -4.4870000000e-04  3.6107000000e-03  1.4705000000e-03 -1.8850000000e-04 -4.4044000000e-03
-
-JOB 36
-COORDS  1.1665360000e+00  4.9864000000e-02  9.7444300000e-01  1.6511970000e+00  6.8804100000e-01  4.5093000000e-01  5.2941500000e-01 -3.2504800000e-01  3.6637200000e-01 -1.1293320000e+00 -1.1895500000e-01 -9.2013200000e-01 -1.0227860000e+00  7.1394700000e-01 -1.3796470000e+00 -1.7760600000e+00  6.3987000000e-02 -2.3858300000e-01
-ENERGY -1.526599456926e+02
-FORCES -4.9208000000e-03 -1.8900000000e-04 -8.9566000000e-03 -1.6092000000e-03 -1.3699000000e-03  1.7762000000e-03  5.9190000000e-03  8.6480000000e-04  7.1986000000e-03 -3.5262000000e-03  5.7058000000e-03  8.3400000000e-04  1.2900000000e-04 -3.9033000000e-03  2.5107000000e-03  4.0083000000e-03 -1.1084000000e-03 -3.3629000000e-03
-
-JOB 37
-COORDS  3.5021500000e-01  1.3609490000e+00 -5.4685600000e-01  3.2390300000e-01  1.0130540000e+00  3.4449600000e-01  1.1895770000e+00  1.0618850000e+00 -8.9651900000e-01 -3.5373900000e-01 -1.3500570000e+00  5.5405400000e-01 -1.1265720000e+00 -8.4951900000e-01  8.1562900000e-01 -3.8224500000e-01 -1.3530110000e+00 -4.0271700000e-01
-ENERGY -1.526571324802e+02
-FORCES  4.4601000000e-03 -6.1835000000e-03  4.6845000000e-03 -2.0599000000e-03  4.2320000000e-03 -3.1608000000e-03 -3.5988000000e-03  1.1283000000e-03  1.5310000000e-04 -4.5125000000e-03  3.3374000000e-03 -6.3097000000e-03  4.7187000000e-03 -7.7200000000e-04  3.1640000000e-04  9.9230000000e-04 -1.7422000000e-03  4.3165000000e-03
-
-JOB 38
-COORDS  1.8756300000e-01  1.0618770000e+00  9.8438300000e-01 -2.0786900000e-01  1.6304820000e+00  3.2366000000e-01  1.0924200000e+00  1.3665090000e+00  1.0526760000e+00 -2.6788700000e-01 -1.1095480000e+00 -1.0036710000e+00  3.9552300000e-01 -1.7875680000e+00 -8.7558000000e-01 -1.2022100000e-01 -4.9108800000e-01 -2.8817600000e-01
-ENERGY -1.526609207716e+02
-FORCES  2.6504000000e-03  5.9388000000e-03 -9.5560000000e-04  2.5806000000e-03 -5.2569000000e-03  2.7363000000e-03 -4.5275000000e-03 -1.5629000000e-03 -6.2040000000e-04  3.6172000000e-03  3.1894000000e-03  8.2609000000e-03 -1.7086000000e-03  2.3990000000e-03 -3.8110000000e-04 -2.6121000000e-03 -4.7075000000e-03 -9.0401000000e-03
-
-JOB 39
-COORDS  5.3764100000e-01  6.8067000000e-02  1.3968230000e+00  3.4085300000e-01  7.1615900000e-01  2.0731980000e+00 -2.0632900000e-01  1.1441400000e-01  7.9633000000e-01 -4.5155000000e-01 -1.5731300000e-01 -1.3920750000e+00 -1.3971930000e+00 -5.0741000000e-02 -1.2889590000e+00 -1.4139200000e-01  7.0545700000e-01 -1.6671410000e+00
-ENERGY -1.526560882552e+02
-FORCES -3.8663000000e-03  4.1000000000e-05 -4.6240000000e-03  8.9300000000e-05 -2.0439000000e-03 -4.0237000000e-03  4.7730000000e-04  2.5326000000e-03  8.0558000000e-03  2.0020000000e-04  3.3871000000e-03 -4.5353000000e-03  5.7090000000e-03  1.0580000000e-04  3.1277000000e-03 -2.6095000000e-03 -4.0226000000e-03  1.9996000000e-03
-
-JOB 40
-COORDS -7.3848700000e-01  5.9150200000e-01  1.0630180000e+00 -8.4984200000e-01 -1.3755100000e-01  1.6731940000e+00 -1.1301790000e+00  1.3412920000e+00  1.5109280000e+00  7.5698100000e-01 -6.5308500000e-01 -1.1421360000e+00  4.6182500000e-01 -1.6937700000e-01 -3.7068200000e-01  1.2802170000e+00 -2.1540000000e-02 -1.6357010000e+00
-ENERGY -1.526605561304e+02
-FORCES -2.7150000000e-03  9.6320000000e-04  2.8813000000e-03  1.0778000000e-03  4.0331000000e-03 -3.0683000000e-03  1.0501000000e-03 -4.0405000000e-03 -8.8050000000e-04 -2.7373000000e-03  6.9645000000e-03  4.4596000000e-03  5.0390000000e-03 -6.1894000000e-03 -4.9587000000e-03 -1.7146000000e-03 -1.7308000000e-03  1.5666000000e-03
-
-JOB 41
-COORDS -1.1778820000e+00 -6.3569900000e-01 -6.7456700000e-01 -1.7702910000e+00  1.6710000000e-03 -1.0733680000e+00 -5.1791800000e-01 -8.0359300000e-01 -1.3472420000e+00  1.2110610000e+00  6.6368900000e-01  7.1436500000e-01  4.0808000000e-01  2.9557200000e-01  3.4565900000e-01  1.4044990000e+00  1.0890100000e-01  1.4700250000e+00
-ENERGY -1.526610420086e+02
-FORCES -2.9238000000e-03  2.7820000000e-04 -6.3798000000e-03  3.4855000000e-03 -3.1676000000e-03  1.7657000000e-03 -2.4688000000e-03  2.4617000000e-03  5.4988000000e-03 -7.0726000000e-03 -4.9731000000e-03  7.1600000000e-04  9.4270000000e-03  3.6870000000e-03  1.0573000000e-03 -4.4740000000e-04  1.7139000000e-03 -2.6581000000e-03
-
-JOB 42
-COORDS  6.1597300000e-01 -5.1257000000e-01  1.3039280000e+00  1.7831400000e-01 -1.3637420000e+00  1.3178100000e+00  1.2295900000e+00 -5.7014500000e-01  5.7154000000e-01 -5.9234000000e-01  6.2530300000e-01 -1.2680540000e+00 -5.1280600000e-01 -5.1800000000e-03 -5.5223500000e-01 -1.2706740000e+00  2.5952400000e-01 -1.8357700000e+00
-ENERGY -1.526565728841e+02
-FORCES  4.8951000000e-03 -3.3661000000e-03  4.2720000000e-04  4.9460000000e-04  5.5510000000e-03 -2.4572000000e-03 -6.2800000000e-03  3.0300000000e-05  2.7716000000e-03 -2.0483000000e-03 -2.5697000000e-03  4.5031000000e-03  1.5450000000e-04 -2.4640000000e-04 -8.4246000000e-03  2.7841000000e-03  6.0080000000e-04  3.1799000000e-03
-
-JOB 43
-COORDS -6.1483600000e-01 -1.3759420000e+00  3.7232800000e-01 -6.9386300000e-01 -4.5479100000e-01  1.2440200000e-01 -8.3475000000e-01 -1.8586420000e+00 -4.2446000000e-01  6.0423400000e-01  1.3100650000e+00 -2.6639600000e-01  1.1311270000e+00  1.0750590000e+00 -1.0301950000e+00  5.2959200000e-01  2.2633330000e+00 -3.1043300000e-01
-ENERGY -1.526589137547e+02
-FORCES  4.0810000000e-04  6.0119000000e-03 -3.2054000000e-03 -3.3451000000e-03 -8.3113000000e-03  6.4360000000e-04  1.4643000000e-03  2.1202000000e-03  2.3451000000e-03  4.1475000000e-03  3.0794000000e-03 -2.5674000000e-03 -3.3574000000e-03  1.6339000000e-03  2.9356000000e-03  6.8270000000e-04 -4.5341000000e-03 -1.5150000000e-04
-
-JOB 44
-COORDS  9.3542000000e-02 -5.1910200000e-01  1.3770470000e+00  1.0315740000e+00 -6.3236000000e-01  1.5303440000e+00 -3.1106400000e-01 -1.2813390000e+00  1.7911950000e+00 -5.9791000000e-02  5.8353700000e-01 -1.4312170000e+00 -4.0621200000e-01  8.0981400000e-01 -5.6807000000e-01 -7.6928200000e-01  1.0112800000e-01 -1.8556410000e+00
-ENERGY -1.526572236564e+02
-FORCES  3.8171000000e-03 -3.9482000000e-03  1.1990000000e-04 -4.3023000000e-03  1.8940000000e-04  7.1210000000e-04  1.7626000000e-03  2.9855000000e-03 -2.0350000000e-03 -3.7971000000e-03 -3.7666000000e-03  6.7280000000e-03  2.1470000000e-04  2.8653000000e-03 -6.5024000000e-03  2.3051000000e-03  1.6745000000e-03  9.7740000000e-04
-
-JOB 45
-COORDS -9.7857300000e-01 -7.7764700000e-01  9.2029400000e-01 -2.8570400000e-01 -2.2286900000e-01  5.6198500000e-01 -5.7969600000e-01 -1.1977250000e+00  1.6823060000e+00  9.2571200000e-01  7.3941600000e-01 -8.8423500000e-01  7.1901000000e-01  1.6658690000e+00 -1.0074860000e+00  8.8500300000e-01  3.6529500000e-01 -1.7643530000e+00
-ENERGY -1.526616953785e+02
-FORCES  6.8253000000e-03  2.9582000000e-03 -2.0763000000e-03 -6.7157000000e-03 -4.5823000000e-03  6.7283000000e-03 -8.6900000000e-04  1.6201000000e-03 -2.7319000000e-03 -7.6310000000e-04  1.8143000000e-03 -6.1098000000e-03  8.3890000000e-04 -4.5829000000e-03  4.5680000000e-04  6.8350000000e-04  2.7726000000e-03  3.7330000000e-03
-
-JOB 46
-COORDS  8.6019700000e-01  8.9263900000e-01 -8.4996700000e-01 -4.5319000000e-02  1.0462910000e+00 -1.1195290000e+00  1.3854510000e+00  1.1891230000e+00 -1.5932280000e+00 -8.5742300000e-01 -9.4729400000e-01  9.5457300000e-01  8.4680000000e-03 -7.8348000000e-01  5.8090100000e-01 -1.4633480000e+00 -5.0799600000e-01  3.5782900000e-01
-ENERGY -1.526568190497e+02
-FORCES -3.3070000000e-04  3.4989000000e-03 -4.8887000000e-03  3.2483000000e-03 -2.6293000000e-03  2.0063000000e-03 -2.9587000000e-03 -9.2830000000e-04  3.2338000000e-03  4.0955000000e-03  3.6957000000e-03 -4.7707000000e-03 -5.9015000000e-03 -3.1293000000e-03  3.1885000000e-03  1.8471000000e-03 -5.0770000000e-04  1.2308000000e-03
-
-JOB 47
-COORDS -3.0504300000e-01 -3.2677100000e-01  1.4334390000e+00  3.9067600000e-01 -2.4639300000e-01  2.0859320000e+00 -6.2941800000e-01 -1.2213080000e+00  1.5374390000e+00  3.3751200000e-01  3.5400500000e-01 -1.5163530000e+00 -5.4555600000e-01  4.7918100000e-01 -1.8638480000e+00  2.7109900000e-01  6.0668600000e-01 -5.9549800000e-01
-ENERGY -1.526590313181e+02
-FORCES  9.6360000000e-04 -5.8349000000e-03  2.2579000000e-03 -2.9194000000e-03 -1.5900000000e-04 -3.4311000000e-03  1.1754000000e-03  4.0117000000e-03  9.6420000000e-04 -4.8410000000e-03 -8.2400000000e-05  6.8613000000e-03  2.9319000000e-03 -6.9320000000e-04  6.1580000000e-04  2.6895000000e-03  2.7577000000e-03 -7.2681000000e-03
-
-JOB 48
-COORDS -1.1830230000e+00  8.6403100000e-01 -5.2078300000e-01 -1.3596270000e+00  1.7976310000e+00 -6.3668500000e-01 -2.5259500000e-01  8.2138200000e-01 -3.0006600000e-01  1.1021260000e+00 -8.6958400000e-01  5.5072800000e-01  1.9615170000e+00 -7.6877000000e-01  1.4144100000e-01  8.5788500000e-01 -1.7783230000e+00  3.7530900000e-01
-ENERGY -1.526585705272e+02
-FORCES  4.9876000000e-03  2.1540000000e-04  2.5561000000e-03  1.6223000000e-03 -3.5467000000e-03  6.4140000000e-04 -5.6077000000e-03  5.4848000000e-03 -4.0930000000e-03  1.0103000000e-03 -6.5913000000e-03 -1.4723000000e-03 -4.6423000000e-03  8.2350000000e-04  1.2616000000e-03  2.6298000000e-03  3.6142000000e-03  1.1063000000e-03
-
-JOB 49
-COORDS -7.0544300000e-01 -8.0459200000e-01  1.0774840000e+00 -1.3083730000e+00 -1.4488800000e+00  7.0654000000e-01  3.4826000000e-02 -1.3226900000e+00  1.3934080000e+00  6.9025800000e-01  9.3921200000e-01 -1.1000450000e+00  1.0068400000e-01  3.5810300000e-01 -6.1947600000e-01  1.5153200000e+00  4.5646000000e-01 -1.1495940000e+00
-ENERGY -1.526593446256e+02
-FORCES -4.0850000000e-04 -5.7687000000e-03  3.7774000000e-03  3.8719000000e-03  3.6551000000e-03  8.1520000000e-04 -3.3871000000e-03  2.5075000000e-03 -2.7513000000e-03 -1.7366000000e-03 -5.5978000000e-03  5.6788000000e-03  4.2570000000e-03  3.8802000000e-03 -7.8727000000e-03 -2.5967000000e-03  1.3237000000e-03  3.5250000000e-04
-
-JOB 50
-COORDS  1.4188170000e+00 -3.3238200000e-01 -6.2298900000e-01  1.9935510000e+00  3.3163900000e-01 -1.0037630000e+00  6.2650300000e-01  1.4669000000e-01 -3.8017000000e-01 -1.3590080000e+00  2.1512900000e-01  6.2595800000e-01 -1.3504630000e+00  1.0913430000e+00  2.4072000000e-01 -2.1863580000e+00  1.7181300000e-01  1.1053820000e+00
-ENERGY -1.526554411771e+02
-FORCES -3.2868000000e-03  2.5286000000e-03  1.6124000000e-03 -3.0679000000e-03 -2.0520000000e-03  1.6906000000e-03  5.4253000000e-03  2.3472000000e-03 -4.1152000000e-03 -5.7504000000e-03  1.3418000000e-03  2.4298000000e-03  3.4439000000e-03 -5.1482000000e-03  6.6610000000e-04  3.2359000000e-03  9.8270000000e-04 -2.2837000000e-03
-
-JOB 51
-COORDS -7.6351200000e-01  1.3919760000e+00  9.8000000000e-05 -1.6519200000e+00  1.7434470000e+00  5.8670000000e-02 -3.7974800000e-01  1.5651710000e+00  8.5972600000e-01  8.4568500000e-01 -1.4577730000e+00 -4.5182000000e-02  3.2508900000e-01 -1.1424570000e+00  6.9359200000e-01  4.0091700000e-01 -1.1098090000e+00 -8.1805600000e-01
-ENERGY -1.526570691386e+02
-FORCES -1.6642000000e-03  4.4423000000e-03  3.5278000000e-03  4.0811000000e-03 -1.8919000000e-03 -1.1350000000e-04 -2.4080000000e-03 -2.0497000000e-03 -3.4495000000e-03 -5.9477000000e-03  5.7051000000e-03 -1.3218000000e-03  3.0922000000e-03 -2.1180000000e-03 -3.1700000000e-04  2.8467000000e-03 -4.0878000000e-03  1.6740000000e-03
-
-JOB 52
-COORDS  4.6915100000e-01 -1.0621260000e+00  1.2210450000e+00 -1.7553200000e-01 -4.0061500000e-01  9.7001100000e-01  1.3038010000e+00 -5.9356400000e-01  1.2273790000e+00 -4.9090400000e-01  9.3891200000e-01 -1.1807600000e+00 -1.1491730000e+00  1.5728070000e+00 -1.4655250000e+00  3.4673700000e-01  1.3684280000e+00 -1.3542700000e+00
-ENERGY -1.526572407007e+02
-FORCES -9.1180000000e-04  5.8715000000e-03 -3.9442000000e-03  3.0203000000e-03 -4.0415000000e-03  5.2328000000e-03 -2.3320000000e-03 -1.7149000000e-03  8.0200000000e-05  7.8670000000e-04  4.4435000000e-03 -4.4763000000e-03  3.1516000000e-03 -2.8671000000e-03  1.4531000000e-03 -3.7149000000e-03 -1.6915000000e-03  1.6544000000e-03
-
-JOB 53
-COORDS -6.6860800000e-01  1.4718570000e+00 -1.4016700000e-01 -1.1668270000e+00  2.0816020000e+00  4.0409500000e-01  2.1330500000e-01  1.4837500000e+00  2.3174700000e-01  6.6756600000e-01 -1.4766490000e+00  1.3932600000e-01  8.3266400000e-01 -1.2882960000e+00 -7.8452300000e-01  7.2954000000e-02 -2.2266880000e+00  1.2879900000e-01
-ENERGY -1.526549893236e+02
-FORCES  2.4423000000e-03  3.2690000000e-04  5.1153000000e-03  1.8047000000e-03 -2.5920000000e-03 -2.0189000000e-03 -3.3334000000e-03  2.2609000000e-03 -2.7886000000e-03 -4.4869000000e-03 -1.2212000000e-03 -4.3829000000e-03  7.6490000000e-04 -1.0118000000e-03  4.0000000000e-03  2.8084000000e-03  2.2372000000e-03  7.5100000000e-05
-
-JOB 54
-COORDS  1.2678720000e+00 -7.0448200000e-01  7.7774900000e-01  9.7780100000e-01 -1.2247590000e+00  1.5270180000e+00  9.9446100000e-01 -1.2114790000e+00  1.3267000000e-02 -1.2280390000e+00  7.8335100000e-01 -8.3511100000e-01 -9.0263300000e-01  1.1900950000e+00 -3.2053000000e-02 -1.6953050000e+00  3.0930000000e-03 -5.3662700000e-01
-ENERGY -1.526556491077e+02
-FORCES -1.0478000000e-03 -4.5218000000e-03 -2.0123000000e-03  1.2890000000e-04  2.8252000000e-03 -3.3779000000e-03  1.1295000000e-03  9.6750000000e-04  4.5487000000e-03  1.4830000000e-03 -9.7310000000e-04  6.4021000000e-03 -3.6805000000e-03 -3.7930000000e-04 -3.8125000000e-03  1.9870000000e-03  2.0815000000e-03 -1.7481000000e-03
-
-JOB 55
-COORDS -5.3426600000e-01  8.5966900000e-01 -1.3492260000e+00 -6.7339700000e-01  2.9653000000e-01 -2.1106390000e+00 -5.6604700000e-01  2.6364900000e-01 -6.0090700000e-01  4.9039400000e-01 -7.4967400000e-01  1.3531620000e+00  6.1391300000e-01 -1.4603670000e+00  7.2396400000e-01  1.2737140000e+00 -7.7675900000e-01  1.9026230000e+00
-ENERGY -1.526565843290e+02
-FORCES -3.3450000000e-04 -3.6908000000e-03  2.7488000000e-03  1.0620000000e-03  1.4981000000e-03  3.3949000000e-03 -1.4524000000e-03  9.8130000000e-04 -7.4206000000e-03  6.3341000000e-03 -2.2041000000e-03  2.0177000000e-03 -2.2103000000e-03  4.4162000000e-03  1.3708000000e-03 -3.3988000000e-03 -1.0006000000e-03 -2.1116000000e-03
-
-JOB 56
-COORDS  6.5638000000e-01 -1.3312770000e+00  7.1047400000e-01  3.6832100000e-01 -9.4146400000e-01  1.5358830000e+00  1.6120510000e+00 -1.3287320000e+00  7.6448500000e-01 -7.0523700000e-01  1.3776030000e+00 -7.4990000000e-01 -4.5195000000e-02  9.8414700000e-01 -1.3206620000e+00 -1.1798410000e+00  6.3204000000e-01 -3.8231500000e-01
-ENERGY -1.526568211567e+02
-FORCES  3.8090000000e-03  2.1619000000e-03  4.4867000000e-03  4.7190000000e-04 -2.0882000000e-03 -3.8149000000e-03 -3.9685000000e-03 -1.4560000000e-04 -3.7630000000e-04  2.3248000000e-03 -7.7803000000e-03 -3.7870000000e-04 -2.3408000000e-03  3.3760000000e-03  6.6590000000e-04 -2.9650000000e-04  4.4761000000e-03 -5.8280000000e-04
-
-JOB 57
-COORDS -1.3030590000e+00  4.6784300000e-01  9.3182400000e-01 -1.6434860000e+00  6.1694100000e-01  4.9718000000e-02 -1.2266110000e+00  1.3435160000e+00  1.3107490000e+00  1.3586960000e+00 -5.4680400000e-01 -9.5120700000e-01  1.5071270000e+00  1.7018500000e-01 -3.3466300000e-01  4.8811700000e-01 -8.7738800000e-01 -7.2976100000e-01
-ENERGY -1.526569267603e+02
-FORCES -3.0183000000e-03  5.4126000000e-03 -7.9270000000e-04  2.8392000000e-03 -1.7510000000e-03  3.7632000000e-03  5.3500000000e-05 -3.8787000000e-03 -1.9171000000e-03 -4.1238000000e-03  1.4175000000e-03  6.4417000000e-03  1.1969000000e-03 -1.6996000000e-03 -3.5327000000e-03  3.0524000000e-03  4.9920000000e-04 -3.9624000000e-03
-
-JOB 58
-COORDS -7.7279000000e-02 -1.6671460000e+00 -6.4625000000e-02 -2.3678000000e-02 -2.0192520000e+00 -9.5309600000e-01  6.5422300000e-01 -2.0743240000e+00  3.9942600000e-01  4.3267000000e-02  1.7566170000e+00  3.5253000000e-02 -7.3182000000e-02  1.9563700000e+00  9.6410700000e-01 -1.7049000000e-02  8.0261400000e-01 -1.4459000000e-02
-ENERGY -1.526599121183e+02
-FORCES  3.0927000000e-03 -6.2689000000e-03 -2.1890000000e-03  5.4100000000e-05  1.5551000000e-03  4.2858000000e-03 -3.3772000000e-03  2.0013000000e-03 -2.1550000000e-03 -1.4197000000e-03 -5.6873000000e-03  3.1817000000e-03  7.1230000000e-04 -4.3650000000e-04 -3.0976000000e-03  9.3780000000e-04  8.8364000000e-03 -2.5900000000e-05
-
-JOB 59
-COORDS  6.3157800000e-01  1.0378010000e+00 -1.2712700000e+00  6.9391000000e-01  5.6805900000e-01 -2.1029480000e+00 -2.8200700000e-01  9.3425500000e-01 -1.0050490000e+00 -5.7131500000e-01 -9.4680900000e-01  1.2734080000e+00 -1.2070520000e+00 -1.6284680000e+00  1.0556640000e+00 -1.2411800000e-01 -1.2759430000e+00  2.0530990000e+00
-ENERGY -1.526546548695e+02
-FORCES -4.0918000000e-03 -3.8525000000e-03  2.8450000000e-04 -2.0230000000e-04  1.7959000000e-03  2.9612000000e-03  3.1259000000e-03  2.0679000000e-03 -3.7111000000e-03  1.0095000000e-03 -4.2636000000e-03  3.4123000000e-03  2.5528000000e-03  3.3603000000e-03  1.3460000000e-04 -2.3940000000e-03  8.9210000000e-04 -3.0815000000e-03
-
-JOB 60
-COORDS -6.6293600000e-01 -1.6730000000e-02  1.6734610000e+00  2.5140400000e-01 -2.9968200000e-01  1.6858410000e+00 -1.1449000000e+00 -7.4517700000e-01  2.0650070000e+00  6.0627700000e-01  5.9560000000e-02 -1.7509920000e+00  1.5480580000e+00  8.4780000000e-03 -1.5876820000e+00  2.3559500000e-01  3.6703700000e-01 -9.2377600000e-01
-ENERGY -1.526563454046e+02
-FORCES  1.1350000000e-04 -5.5608000000e-03  3.7115000000e-03 -3.7392000000e-03  2.1318000000e-03 -1.7955000000e-03  2.4131000000e-03  3.2982000000e-03 -1.0683000000e-03  5.8880000000e-04  1.7452000000e-03  4.2662000000e-03 -3.7099000000e-03 -1.5980000000e-04  2.4600000000e-05  4.3338000000e-03 -1.4545000000e-03 -5.1385000000e-03
-
-JOB 61
-COORDS  7.2083100000e-01 -5.8578400000e-01 -1.5681190000e+00  1.1400620000e+00 -2.4125500000e-01 -2.3566480000e+00 -1.7501400000e-01 -2.5081700000e-01 -1.6067280000e+00 -7.4315200000e-01  5.1876800000e-01  1.6422520000e+00 -4.2092000000e-02  4.9565000000e-02  1.1899300000e+00 -4.7312700000e-01  1.4367280000e+00  1.6164080000e+00
-ENERGY -1.526573822543e+02
-FORCES -1.9650000000e-03  2.0476000000e-03 -5.2757000000e-03 -2.0328000000e-03 -1.3170000000e-03  3.2160000000e-03  4.8990000000e-03 -1.2078000000e-03  5.7960000000e-04  5.3861000000e-03  1.1966000000e-03 -1.4133000000e-03 -4.7703000000e-03  2.6771000000e-03  2.9550000000e-03 -1.5171000000e-03 -3.3965000000e-03 -6.1500000000e-05
-
-JOB 62
-COORDS -1.6196530000e+00  4.2300000000e-02  9.7265800000e-01 -1.1485300000e+00 -5.2837800000e-01  1.5797830000e+00 -1.9013760000e+00 -5.3911900000e-01  2.6638900000e-01  1.5632420000e+00  4.1507000000e-02 -9.2299800000e-01  1.6511620000e+00 -7.8350300000e-01 -1.4003450000e+00  2.3000880000e+00  5.7291300000e-01 -1.2244890000e+00
-ENERGY -1.526531549363e+02
-FORCES  3.0211000000e-03 -4.2303000000e-03 -1.5203000000e-03 -2.8000000000e-03  1.8549000000e-03 -1.7434000000e-03  2.0790000000e-04  1.8293000000e-03  2.9984000000e-03  3.5810000000e-03 -2.2260000000e-04 -3.3720000000e-03 -9.3730000000e-04  3.1543000000e-03  2.3391000000e-03 -3.0728000000e-03 -2.3855000000e-03  1.2983000000e-03
-
-JOB 63
-COORDS  8.2860000000e-02  3.0883400000e-01 -1.9159840000e+00  4.2756600000e-01 -4.7132700000e-01 -2.3504470000e+00 -8.6270000000e-01  2.6463200000e-01 -2.0580890000e+00 -8.2767000000e-02 -2.0506500000e-01  1.9307780000e+00  6.8957900000e-01 -1.6519500000e-01  2.4948040000e+00 -1.8190100000e-01 -1.1346030000e+00  1.7249550000e+00
-ENERGY -1.526528801822e+02
-FORCES -2.8890000000e-03 -2.7694000000e-03 -1.5955000000e-03 -1.2720000000e-03  2.9628000000e-03  2.0639000000e-03  3.9311000000e-03 -8.5600000000e-05  6.7500000000e-05  3.4472000000e-03 -3.2103000000e-03  2.6470000000e-04 -3.2170000000e-03 -2.7600000000e-04 -2.0086000000e-03 -3.0000000000e-07  3.3786000000e-03  1.2081000000e-03
-
-JOB 64
-COORDS -1.3326400000e-01  1.6164340000e+00 -1.1606660000e+00  5.5730400000e-01  2.1499020000e+00 -1.5540620000e+00 -2.8876000000e-02  1.7458370000e+00 -2.1801600000e-01  6.1843000000e-02 -1.6298630000e+00  1.0811620000e+00 -3.5124400000e-01 -2.0262760000e+00  1.8482660000e+00  9.9770400000e-01 -1.6369070000e+00  1.2820270000e+00
-ENERGY -1.526536339413e+02
-FORCES  2.7688000000e-03  1.6303000000e-03  2.9617000000e-03 -2.6485000000e-03 -2.3076000000e-03  1.5864000000e-03 -6.6000000000e-05  9.0360000000e-04 -4.1759000000e-03  2.1484000000e-03 -2.5876000000e-03  3.4412000000e-03  1.7287000000e-03  1.9042000000e-03 -3.2443000000e-03 -3.9314000000e-03  4.5710000000e-04 -5.6900000000e-04
-
-JOB 65
-COORDS -1.8905090000e+00  8.0526400000e-01 -6.5862000000e-01 -2.2314560000e+00  1.2456200000e-01 -7.8421000000e-02 -9.9759900000e-01  5.2462900000e-01 -8.5908700000e-01  1.7909070000e+00 -7.7099800000e-01  6.4395500000e-01  2.1570410000e+00  1.0771500000e-01  5.4375300000e-01  2.5526800000e+00 -1.3505610000e+00  6.3753700000e-01
-ENERGY -1.526561355352e+02
-FORCES  2.9254000000e-03 -4.8614000000e-03  2.0561000000e-03  5.1990000000e-04  2.9432000000e-03 -2.4310000000e-03 -4.0970000000e-03  2.4369000000e-03  1.6300000000e-05  5.7137000000e-03  7.2920000000e-04  3.9510000000e-04 -1.9713000000e-03 -3.8302000000e-03 -1.3400000000e-04 -3.0908000000e-03  2.5823000000e-03  9.7600000000e-05
-
-JOB 66
-COORDS  1.5447100000e+00 -1.4385340000e+00  8.8157000000e-02  1.8863610000e+00 -2.3277150000e+00 -5.9810000000e-03  5.9434100000e-01 -1.5485690000e+00  1.1855500000e-01 -1.4538620000e+00  1.5272900000e+00 -1.1347700000e-01 -2.3619770000e+00  1.6647580000e+00 -3.8303200000e-01 -1.5106960000e+00  9.0856100000e-01  6.1465500000e-01
-ENERGY -1.526532962463e+02
-FORCES -2.4596000000e-03 -3.8084000000e-03 -1.0403000000e-03 -1.3972000000e-03  3.7220000000e-03  4.0580000000e-04  3.6303000000e-03  1.7950000000e-04  9.0370000000e-04 -3.8657000000e-03 -1.0412000000e-03  2.1521000000e-03  3.8906000000e-03 -7.0350000000e-04  1.0936000000e-03  2.0150000000e-04  1.6517000000e-03 -3.5149000000e-03
-
-JOB 67
-COORDS -7.3205100000e-01 -1.9600300000e+00 -5.3399900000e-01 -1.7000800000e-01 -1.6685940000e+00  1.8391800000e-01 -1.6110800000e+00 -1.9843800000e+00 -1.5591500000e-01  7.4401200000e-01  1.9017830000e+00  4.1100400000e-01  2.9844700000e-01  1.7995870000e+00  1.2519920000e+00  1.2712610000e+00  2.6940830000e+00  5.1347600000e-01
-ENERGY -1.526537443902e+02
-FORCES -6.5110000000e-04  2.1128000000e-03  4.0094000000e-03 -2.8644000000e-03 -2.1526000000e-03 -2.2466000000e-03  3.4765000000e-03  2.2800000000e-05 -1.3358000000e-03  4.7760000000e-04  3.7454000000e-03  3.3483000000e-03  1.8538000000e-03 -4.0690000000e-04 -3.4209000000e-03 -2.2924000000e-03 -3.3215000000e-03 -3.5440000000e-04
-
-JOB 68
-COORDS  1.0589840000e+00  1.8949090000e+00 -3.2896400000e-01  1.9434770000e+00  1.6477320000e+00 -5.9134000000e-02  5.6721400000e-01  1.0737370000e+00 -3.2052300000e-01 -1.0511700000e+00 -1.7876600000e+00  2.6471600000e-01 -1.2371260000e+00 -2.7265490000e+00  2.7655500000e-01 -1.4059300000e+00 -1.4622960000e+00  1.0920710000e+00
-ENERGY -1.526562861376e+02
-FORCES  1.2489000000e-03 -5.2835000000e-03  5.5600000000e-04 -3.2787000000e-03  1.2781000000e-03 -9.0040000000e-04  2.4645000000e-03  4.9999000000e-03  4.8870000000e-04 -3.0305000000e-03 -3.7784000000e-03  3.2471000000e-03  6.2640000000e-04  3.8974000000e-03  2.5950000000e-04  1.9694000000e-03 -1.1135000000e-03 -3.6509000000e-03
-
-JOB 69
-COORDS -3.9857700000e-01 -1.9050480000e+00 -1.1287130000e+00 -1.0136050000e+00 -2.4510480000e+00 -6.3896200000e-01  6.0696000000e-02 -1.3998780000e+00 -4.5781600000e-01  3.5316600000e-01  1.9027590000e+00  1.0210780000e+00  1.1876760000e+00  1.4793730000e+00  8.1965900000e-01  4.9979800000e-01  2.3337830000e+00  1.8630690000e+00
-ENERGY -1.526542444853e+02
-FORCES -1.4673000000e-03  6.7150000000e-04  5.0342000000e-03  2.5968000000e-03  1.8456000000e-03 -2.0881000000e-03 -7.0090000000e-04 -2.7153000000e-03 -2.9588000000e-03  4.1986000000e-03  1.4663000000e-03  2.6873000000e-03 -4.0071000000e-03  6.4500000000e-04  9.0460000000e-04 -6.2010000000e-04 -1.9132000000e-03 -3.5792000000e-03
-
-JOB 70
-COORDS -4.3439100000e-01  1.2010610000e+00  1.7440180000e+00 -4.6254100000e-01  2.1420740000e+00  1.9170280000e+00 -5.5442000000e-02  8.2243500000e-01  2.5372850000e+00  3.6674900000e-01 -1.1916310000e+00 -1.7787580000e+00  6.6800400000e-01 -1.2784600000e+00 -2.6831580000e+00  8.9152500000e-01 -1.8249770000e+00 -1.2891520000e+00
-ENERGY -1.526527589126e+02
-FORCES  1.4050000000e-03  2.4079000000e-03  3.4694000000e-03  7.1600000000e-05 -3.8563000000e-03 -6.0610000000e-04 -1.4715000000e-03  1.3529000000e-03 -3.2851000000e-03  3.3378000000e-03 -2.6598000000e-03 -1.0448000000e-03 -1.3142000000e-03  4.8420000000e-04  3.6747000000e-03 -2.0287000000e-03  2.2711000000e-03 -2.2081000000e-03
-
-JOB 71
-COORDS  1.1156500000e-01  1.5913000000e-01 -2.2839730000e+00  3.4050800000e-01  1.0136040000e+00 -1.9183340000e+00  3.2630100000e-01 -4.6419800000e-01 -1.5900110000e+00 -1.2969000000e-01 -1.5680000000e-01  2.2832580000e+00 -4.4262700000e-01  3.8754300000e-01  1.5607670000e+00  2.5055000000e-02 -1.0146660000e+00  1.8878440000e+00
-ENERGY -1.526533030386e+02
-FORCES  2.6669000000e-03  1.0744000000e-03  3.2165000000e-03 -1.4773000000e-03 -3.9026000000e-03 -1.0228000000e-03 -1.5875000000e-03  2.7546000000e-03 -2.1141000000e-03 -1.5350000000e-03 -1.4692000000e-03 -3.6203000000e-03  2.2165000000e-03 -2.4218000000e-03  2.5472000000e-03 -2.8360000000e-04  3.9646000000e-03  9.9360000000e-04
-
-JOB 72
-COORDS  1.1247910000e+00 -7.0684000000e-02  2.0416690000e+00  3.8219100000e-01 -1.0831200000e-01  1.4388740000e+00  1.6962720000e+00  6.0484400000e-01  1.6765620000e+00 -1.1720950000e+00  6.5785000000e-02 -2.0291900000e+00 -1.2317950000e+00 -3.1866700000e-01 -1.1546250000e+00 -2.4820400000e-01 -1.7301000000e-02 -2.2653110000e+00
-ENERGY -1.526531101297e+02
-FORCES -5.0410000000e-04  3.3525000000e-03 -3.2198000000e-03  2.8188000000e-03 -5.5850000000e-04  1.5832000000e-03 -2.4277000000e-03 -3.1751000000e-03  1.3423000000e-03  3.0558000000e-03 -2.6232000000e-03  1.4780000000e-03  9.9820000000e-04  2.3250000000e-03 -2.7548000000e-03 -3.9410000000e-03  6.7930000000e-04  1.5711000000e-03
-
-JOB 73
-COORDS -3.2043000000e-02 -2.2879430000e+00 -1.2328500000e-01  1.1494500000e-01 -2.9197510000e+00 -8.2716300000e-01 -9.8205100000e-01 -2.1735970000e+00 -9.7952000000e-02  1.0330400000e-01  2.2841480000e+00  2.1719300000e-01  1.7948800000e-01  3.2251710000e+00  5.9385000000e-02 -4.3026100000e-01  1.9614450000e+00 -5.0903300000e-01
-ENERGY -1.526534241178e+02
-FORCES -3.1138000000e-03 -2.2817000000e-03 -2.2726000000e-03 -6.2600000000e-04  2.7225000000e-03  2.8474000000e-03  3.8678000000e-03 -2.9860000000e-04 -4.7390000000e-04 -1.5169000000e-03  1.9802000000e-03 -3.7569000000e-03 -2.8890000000e-04 -3.8667000000e-03  6.8480000000e-04  1.6778000000e-03  1.7444000000e-03  2.9713000000e-03
-
-JOB 74
-COORDS  1.4549000000e-01 -1.9343130000e+00  1.4862000000e+00  5.9280300000e-01 -1.4040050000e+00  8.2671900000e-01  3.2751000000e-01 -1.4907560000e+00  2.3146670000e+00 -2.2728000000e-01  1.8542100000e+00 -1.4620480000e+00  6.2627200000e-01  2.1812090000e+00 -1.1778800000e+00 -2.4237300000e-01  2.0115200000e+00 -2.4061130000e+00
-ENERGY -1.526543337777e+02
-FORCES  1.8710000000e-03  4.5470000000e-03  1.3240000000e-04 -1.0049000000e-03 -2.6864000000e-03  3.1936000000e-03 -5.0620000000e-04 -1.8949000000e-03 -3.1852000000e-03  2.8359000000e-03  2.5627000000e-03 -3.3372000000e-03 -3.3970000000e-03 -1.9338000000e-03 -8.1020000000e-04  2.0120000000e-04 -5.9470000000e-04  4.0066000000e-03
-
-JOB 75
-COORDS  3.5047600000e-01 -9.1427300000e-01  2.3408590000e+00  9.7227600000e-01 -1.5402330000e+00  1.9696840000e+00  1.6493800000e-01 -1.2513190000e+00  3.2173330000e+00 -3.5168900000e-01  9.4178700000e-01 -2.3141130000e+00 -1.2302900000e+00  8.7350200000e-01 -2.6877840000e+00  1.1320500000e-01  1.5378060000e+00 -2.9013670000e+00
-ENERGY -1.526534979064e+02
-FORCES  1.8965000000e-03 -3.8517000000e-03  1.4298000000e-03 -2.4623000000e-03  2.3713000000e-03  1.9464000000e-03  6.6810000000e-04  1.4441000000e-03 -3.5461000000e-03 -1.9236000000e-03  2.2981000000e-03 -3.4871000000e-03  3.6465000000e-03  2.5300000000e-04  1.3132000000e-03 -1.8252000000e-03 -2.5149000000e-03  2.3437000000e-03
-
-JOB 76
-COORDS -8.9595100000e-01  2.4823330000e+00  3.5241000000e-02 -1.5540710000e+00  1.9994330000e+00 -4.6467600000e-01 -1.3370100000e-01  2.5174680000e+00 -5.4266300000e-01  9.0101000000e-01 -2.5229650000e+00  3.2326000000e-02  1.2210980000e+00 -1.9500020000e+00 -6.6444400000e-01  4.1481600000e-01 -1.9414400000e+00  6.1685700000e-01
-ENERGY -1.526541999241e+02
-FORCES -1.8000000000e-05 -8.1340000000e-04 -4.6173000000e-03  3.0807000000e-03  1.6385000000e-03  2.2361000000e-03 -3.0650000000e-03 -6.8800000000e-04  2.5230000000e-03 -5.3310000000e-04  4.7373000000e-03  2.9900000000e-05 -1.4226000000e-03 -2.2376000000e-03  2.5881000000e-03  1.9580000000e-03 -2.6368000000e-03 -2.7597000000e-03
-
-JOB 77
-COORDS -5.4793900000e-01  2.2151880000e+00  1.3003880000e+00 -1.4374140000e+00  2.5552730000e+00  1.3973770000e+00  1.6745000000e-02  2.9404060000e+00  1.5676390000e+00  5.8478600000e-01 -2.2997920000e+00 -1.2685740000e+00  4.3257600000e-01 -1.3634310000e+00 -1.3962140000e+00  3.7001800000e-01 -2.6951970000e+00 -2.1134190000e+00
-ENERGY -1.526545212780e+02
-FORCES -1.3312000000e-03  4.3544000000e-03  2.0190000000e-03  3.6752000000e-03 -1.3405000000e-03 -5.5460000000e-04 -2.3731000000e-03 -2.9260000000e-03 -1.2194000000e-03 -1.5956000000e-03  2.7480000000e-03 -3.4748000000e-03  7.6770000000e-04 -4.3522000000e-03 -1.2640000000e-04  8.5690000000e-04  1.5164000000e-03  3.3562000000e-03
-
-JOB 78
-COORDS  3.3539000000e-01  2.9176820000e+00  1.4485100000e+00  2.4745600000e-01  3.6061630000e+00  7.8934900000e-01  1.1322510000e+00  2.4487210000e+00  1.2008820000e+00 -4.1854600000e-01 -2.8951380000e+00 -1.3599220000e+00 -4.9745800000e-01 -3.7826650000e+00 -1.7096380000e+00  4.2155300000e-01 -2.5797350000e+00 -1.6930690000e+00
-ENERGY -1.526537631792e+02
-FORCES  2.6947000000e-03  6.7370000000e-04 -3.7450000000e-03  4.3110000000e-04 -2.7497000000e-03  2.7022000000e-03 -3.1048000000e-03  2.0118000000e-03  9.8750000000e-04  2.9888000000e-03 -2.4050000000e-03 -2.7217000000e-03  3.4330000000e-04  3.6540000000e-03  1.4143000000e-03 -3.3531000000e-03 -1.1847000000e-03  1.3626000000e-03
-
-JOB 79
-COORDS  1.7408340000e+00  1.6978030000e+00  2.5756980000e+00  1.8400670000e+00  1.9526760000e+00  3.4929900000e+00  7.9956100000e-01  1.7545520000e+00  2.4113290000e+00 -1.6932710000e+00 -1.6453490000e+00 -2.6151820000e+00 -1.8883800000e+00 -2.3041030000e+00 -1.9486920000e+00 -1.4806540000e+00 -2.1523670000e+00 -3.3987380000e+00
-ENERGY -1.526540922318e+02
-FORCES -3.5305000000e-03  1.3210000000e-03  2.8442000000e-03 -3.7850000000e-04 -1.0707000000e-03 -3.7047000000e-03  3.8828000000e-03 -2.3830000000e-04  8.8290000000e-04  2.8450000000e-04 -4.7873000000e-03 -5.2560000000e-04  6.8710000000e-04  2.7268000000e-03 -2.6789000000e-03 -9.4540000000e-04  2.0484000000e-03  3.1821000000e-03
-
-JOB 80
-COORDS  7.4246700000e-01  1.9319900000e+00  2.9809730000e+00 -7.4135000000e-02  1.9509510000e+00  2.4819400000e+00  8.7790300000e-01  1.0065370000e+00  3.1845080000e+00 -6.7707800000e-01 -1.8315200000e+00 -2.9915520000e+00 -6.9576800000e-01 -2.7495870000e+00 -3.2618010000e+00 -1.1535120000e+00 -1.8159460000e+00 -2.1614920000e+00
-ENERGY -1.526538609651e+02
-FORCES -2.6547000000e-03 -3.6046000000e-03 -1.3232000000e-03  3.2619000000e-03 -1.7610000000e-04  2.1064000000e-03 -6.4250000000e-04  3.7336000000e-03 -8.0760000000e-04 -1.9999000000e-03 -3.7685000000e-03  2.0793000000e-03  6.3500000000e-05  3.7818000000e-03  1.1685000000e-03  1.9718000000e-03  3.3800000000e-05 -3.2234000000e-03
-
-JOB 81
-COORDS -3.8517400000e-01  3.6164450000e+00 -1.3522780000e+00  3.4539200000e-01  3.2356780000e+00 -8.6491600000e-01 -1.1660600000e+00  3.3193390000e+00 -8.8518200000e-01  3.8966900000e-01 -3.6396570000e+00  1.2700620000e+00 -3.6665100000e-01 -3.1199210000e+00  1.5422500000e+00  1.1456310000e+00 -3.0907860000e+00  1.4786170000e+00
-ENERGY -1.526538015287e+02
-FORCES -2.2500000000e-04 -2.6823000000e-03  3.7673000000e-03 -3.0121000000e-03  1.4834000000e-03 -1.9051000000e-03  3.2436000000e-03  1.1514000000e-03 -1.8346000000e-03  2.3300000000e-05  4.1689000000e-03  1.9861000000e-03  3.1228000000e-03 -1.9950000000e-03 -1.1410000000e-03 -3.1526000000e-03 -2.1264000000e-03 -8.7270000000e-04
-
-JOB 82
-COORDS  1.2152500000e-01 -3.6141790000e+00  1.5365080000e+00  8.0033900000e-01 -3.7322020000e+00  8.7204300000e-01  5.6797400000e-01 -3.7774830000e+00  2.3673190000e+00 -2.1696600000e-01  3.6585220000e+00 -1.6023020000e+00 -9.7352000000e-02  2.7197170000e+00 -1.4588810000e+00  1.9706500000e-01  4.0717140000e+00 -8.4462000000e-01
-ENERGY -1.526541613852e+02
-FORCES  4.5372000000e-03 -1.4128000000e-03  7.3350000000e-04 -2.7690000000e-03  6.3940000000e-04  2.7051000000e-03 -1.8036000000e-03  7.5320000000e-04 -3.4218000000e-03  2.0244000000e-03 -2.2364000000e-03  3.7558000000e-03 -3.6490000000e-04  3.8957000000e-03 -6.6210000000e-04 -1.6241000000e-03 -1.6390000000e-03 -3.1104000000e-03
-
-JOB 83
-COORDS -8.4341000000e-02  1.0107060000e+00  3.9343880000e+00  5.4733500000e-01  3.6534300000e-01  4.2517580000e+00 -9.2845700000e-01  7.0265000000e-01  4.2642380000e+00  6.2105000000e-02 -9.5212600000e-01 -4.0286500000e+00  4.8546700000e-01 -2.3051600000e-01 -3.5635960000e+00  2.3812100000e-01 -1.7221590000e+00 -3.4880040000e+00
-ENERGY -1.526541915780e+02
-FORCES -9.4590000000e-04 -3.8023000000e-03  2.8098000000e-03 -2.5552000000e-03  2.6023000000e-03 -1.4023000000e-03  3.4863000000e-03  1.2223000000e-03 -1.3867000000e-03  2.4208000000e-03 -7.6400000000e-05  4.1984000000e-03 -1.6915000000e-03 -3.0023000000e-03 -1.9837000000e-03 -7.1450000000e-04  3.0564000000e-03 -2.2356000000e-03
-
-JOB 84
-COORDS -1.0912480000e+00  4.3810020000e+00 -6.6879700000e-01 -7.1294600000e-01  3.5252250000e+00 -8.7070100000e-01 -1.2907340000e+00  4.7629060000e+00 -1.5235410000e+00  1.0862540000e+00 -4.3855590000e+00  6.6421100000e-01  4.1476700000e-01 -4.5765710000e+00  1.3190780000e+00  1.6540770000e+00 -3.7394310000e+00  1.0841250000e+00
-ENERGY -1.526541677117e+02
-FORCES  7.0330000000e-04 -1.9294000000e-03 -4.3812000000e-03 -1.5209000000e-03  3.4931000000e-03  8.9070000000e-04  8.1700000000e-04 -1.5442000000e-03  3.4999000000e-03 -4.0880000000e-04  1.7673000000e-03  4.4670000000e-03  2.7397000000e-03  8.0080000000e-04 -2.7019000000e-03 -2.3303000000e-03 -2.5876000000e-03 -1.7744000000e-03
-
-JOB 85
-COORDS -7.6087600000e-01  2.2294320000e+00 -4.1219860000e+00 -1.5996610000e+00  2.2803250000e+00 -3.6636400000e+00 -2.3716000000e-01  1.6237350000e+00 -3.5975000000e+00  7.5679900000e-01 -2.2600340000e+00  4.0894030000e+00  2.9594900000e-01 -1.4248690000e+00  4.1690760000e+00  1.5674290000e+00 -2.0438160000e+00  3.6285770000e+00
-ENERGY -1.526540000073e+02
-FORCES -1.3452000000e-03 -2.3087000000e-03  3.9185000000e-03  3.4628000000e-03 -1.8940000000e-04 -1.8266000000e-03 -2.1052000000e-03  2.5079000000e-03 -2.0767000000e-03  1.4976000000e-03  4.2564000000e-03 -1.4013000000e-03  1.8569000000e-03 -3.4062000000e-03 -4.2140000000e-04 -3.3669000000e-03 -8.6000000000e-04  1.8074000000e-03
-
-JOB 86
-COORDS -3.3179270000e+00 -1.0965000000e+00  3.8036110000e+00 -4.2157010000e+00 -1.4251610000e+00  3.7565310000e+00 -2.7750480000e+00 -1.8450610000e+00  3.5562840000e+00  3.3748340000e+00  1.2033640000e+00 -3.7795370000e+00  2.4203160000e+00  1.1509630000e+00 -3.8283190000e+00  3.6711150000e+00  3.0098100000e-01 -3.8985130000e+00
-ENERGY -1.526540300306e+02
-FORCES -1.4520000000e-03 -4.3855000000e-03 -1.1278000000e-03  3.6738000000e-03  1.3382000000e-03  1.6300000000e-04 -2.2164000000e-03  3.0539000000e-03  9.6330000000e-04 -2.7066000000e-03 -3.8521000000e-03 -6.4540000000e-04  3.9084000000e-03  1.8150000000e-04  1.6790000000e-04 -1.2071000000e-03  3.6639000000e-03  4.7900000000e-04
-
-JOB 87
-COORDS  3.7381590000e+00  1.8795000000e+00  3.5134520000e+00  4.0531890000e+00  2.4403590000e+00  2.8046320000e+00  2.9991190000e+00  2.3586680000e+00  3.8882190000e+00 -3.7169100000e+00 -1.9296550000e+00 -3.5619540000e+00 -3.6853090000e+00 -2.7149180000e+00 -3.0155150000e+00 -3.7122460000e+00 -1.2032090000e+00 -2.9386670000e+00
-ENERGY -1.526540869656e+02
-FORCES -1.6572000000e-03  4.2756000000e-03 -1.3480000000e-03 -1.3176000000e-03 -2.2986000000e-03  2.8937000000e-03  2.9787000000e-03 -1.9808000000e-03 -1.5447000000e-03  1.7380000000e-04 -2.8180000000e-04  4.7836000000e-03 -1.4890000000e-04  3.2165000000e-03 -2.2357000000e-03 -2.8700000000e-05 -2.9309000000e-03 -2.5490000000e-03
-
-JOB 88
-COORDS -5.5603180000e+00  6.2179090000e+00  1.1431440000e+00 -4.8437320000e+00  6.5029030000e+00  5.7612100000e-01 -6.3505080000e+00  6.3639130000e+00  6.2303400000e-01  5.5920300000e+00 -6.2975310000e+00 -1.0549990000e+00  4.6667380000e+00 -6.1069450000e+00 -1.2090930000e+00  6.0561750000e+00 -5.5435850000e+00 -1.4188220000e+00
-ENERGY -1.526540697207e+02
-FORCES -3.1490000000e-04  1.7755000000e-03 -4.4241000000e-03 -2.9157000000e-03 -1.1743000000e-03  2.3087000000e-03  3.2306000000e-03 -6.0200000000e-04  2.1168000000e-03 -1.8873000000e-03  3.8549000000e-03 -2.0972000000e-03  3.7783000000e-03 -7.7810000000e-04  6.1890000000e-04 -1.8910000000e-03 -3.0760000000e-03  1.4769000000e-03
-
-JOB 89
-COORDS -1.3801464000e+01  3.0351700000e-01 -1.4926620000e+00 -1.3251499000e+01  9.3644200000e-01 -1.0309500000e+00 -1.3427574000e+01 -5.4843300000e-01 -1.2676770000e+00  1.3701571000e+01 -2.6854000000e-01  1.4934870000e+00  1.4493923000e+01 -7.5190400000e-01  1.7275130000e+00  1.3745868000e+01 -1.8171100000e-01  5.4126300000e-01
-ENERGY -1.526540801287e+02
-FORCES  3.7710000000e-03 -8.9250000000e-04  2.8027000000e-03 -2.2448000000e-03 -2.5818000000e-03 -1.8841000000e-03 -1.5266000000e-03  3.4742000000e-03 -9.1870000000e-04  3.4169000000e-03 -1.6162000000e-03 -2.9296000000e-03 -3.2336000000e-03  1.9710000000e-03 -9.5460000000e-04 -1.8300000000e-04 -3.5480000000e-04  3.8843000000e-03
-
-JOB 0
-COORDS -7.7376200000e-01 -7.6355900000e-01 -7.6935000000e-01 -2.1819900000e-01 -2.9544700000e-01 -1.4609000000e-01 -8.5884200000e-01 -1.6431340000e+00 -4.0146100000e-01  7.2974800000e-01  7.2711400000e-01  6.7896500000e-01  1.2521800000e-01  1.4490680000e+00  8.5088800000e-01  1.5696960000e+00  1.0301510000e+00  1.0237670000e+00
-ENERGY -1.526567244675e+02
-FORCES  1.2835500000e-02  7.8869000000e-03  1.0625900000e-02 -7.7239000000e-03  1.1257000000e-03 -9.0260000000e-04  1.5064000000e-03  2.8609000000e-03  3.7100000000e-05 -5.1385000000e-03 -7.9265000000e-03 -8.1249000000e-03  3.7540000000e-03 -4.9170000000e-03 -1.0742000000e-03 -5.2336000000e-03  9.7010000000e-04 -5.6130000000e-04
-
-JOB 1
-COORDS  3.7360000000e-02  1.0401630000e+00 -7.2127500000e-01 -8.2868100000e-01  1.2887990000e+00 -1.0443610000e+00  2.8165200000e-01  1.7456180000e+00 -1.2220500000e-01  4.9303000000e-02 -1.1164620000e+00  7.3587800000e-01  3.9913000000e-02 -4.8689400000e-01  1.4915000000e-02 -8.7421300000e-01 -1.3076420000e+00  8.9958500000e-01
-ENERGY -1.526571743463e+02
-FORCES -8.3490000000e-04 -5.8843000000e-03  1.0344400000e-02  3.9957000000e-03 -2.1894000000e-03  3.2662000000e-03 -2.5082000000e-03 -2.4458000000e-03 -4.3132000000e-03 -1.7998000000e-03  1.6457100000e-02 -1.1906100000e-02 -9.2890000000e-04 -7.9391000000e-03  4.0137000000e-03  2.0762000000e-03  2.0015000000e-03 -1.4050000000e-03
-
-JOB 2
-COORDS -1.0226100000e+00  8.7400200000e-01 -7.2037000000e-02 -1.5445670000e+00  6.4683400000e-01 -8.4157500000e-01 -1.3550100000e-01  5.8887400000e-01 -2.9105900000e-01  9.4899600000e-01 -8.7043000000e-01  1.1533100000e-01  1.6035440000e+00 -4.2538500000e-01 -4.2293800000e-01  1.2540060000e+00 -7.4788400000e-01  1.0143210000e+00
-ENERGY -1.526522037959e+02
-FORCES  1.0447800000e-02 -1.4151800000e-02 -5.7250000000e-04  2.5476000000e-03  4.5000000000e-04  2.0929000000e-03  1.0649000000e-03  7.9026000000e-03 -3.3084000000e-03 -4.2855000000e-03  3.8578000000e-03  4.9912000000e-03 -9.0064000000e-03  2.1283000000e-03  2.3077000000e-03 -7.6840000000e-04 -1.8680000000e-04 -5.5111000000e-03
-
-JOB 3
-COORDS -5.8568500000e-01 -9.3361900000e-01 -6.2547800000e-01 -7.9202900000e-01 -1.8380710000e+00 -3.8963700000e-01 -4.2723700000e-01 -9.6182600000e-01 -1.5690510000e+00  5.8854300000e-01  1.0135310000e+00  7.3741700000e-01  1.2416000000e-01  2.7431500000e-01  3.4481200000e-01  1.0685170000e+00  1.4091710000e+00  9.8690000000e-03
-ENERGY -1.526583634151e+02
-FORCES  5.0677000000e-03  4.9462000000e-03  3.2672000000e-03  1.0450000000e-03  4.3349000000e-03 -2.7637000000e-03 -7.5880000000e-04 -9.1470000000e-04  4.7896000000e-03 -6.7581000000e-03 -1.2552400000e-02 -1.0607400000e-02  2.9306000000e-03  5.5757000000e-03  4.2783000000e-03 -1.5265000000e-03 -1.3895000000e-03  1.0361000000e-03
-
-JOB 4
-COORDS  7.8799000000e-02  6.3085700000e-01 -1.1511710000e+00  9.0968500000e-01  9.9406000000e-01 -8.4466900000e-01  2.8217200000e-01  2.5646900000e-01 -2.0083200000e+00 -1.8554700000e-01 -6.0740400000e-01  1.2374470000e+00  5.6589200000e-01 -1.1974010000e+00  1.2963950000e+00 -2.4870700000e-01 -3.9145200000e-01  3.0706700000e-01
-ENERGY -1.526592217619e+02
-FORCES  3.3763000000e-03  6.8800000000e-05  3.0219000000e-03 -4.1391000000e-03 -3.9014000000e-03 -2.2295000000e-03  3.0000000000e-06  1.3272000000e-03  5.4025000000e-03  1.0359000000e-03  3.7796000000e-03 -1.3933300000e-02 -1.5128000000e-03  2.7849000000e-03 -1.3407000000e-03  1.2367000000e-03 -4.0592000000e-03  9.0792000000e-03
-
-JOB 5
-COORDS -3.2380000000e-03 -8.1175300000e-01  1.0082070000e+00  5.5173900000e-01 -1.5894760000e+00  9.5008000000e-01 -2.0811400000e-01 -7.3221100000e-01  1.9398350000e+00 -4.5890000000e-03  8.2577600000e-01 -1.1181280000e+00  2.5644400000e-01  4.3465100000e-01 -2.8439300000e-01 -4.5747600000e-01  1.6327350000e+00 -8.7329700000e-01
-ENERGY -1.526583028461e+02
-FORCES -8.2800000000e-05  1.0563000000e-03 -2.7324000000e-03 -2.7426000000e-03  4.5375000000e-03  1.0926000000e-03  1.0639000000e-03 -9.8030000000e-04 -4.7423000000e-03 -1.8749000000e-03 -6.8869000000e-03  1.2834800000e-02  2.4329000000e-03  4.7996000000e-03 -6.6754000000e-03  1.2035000000e-03 -2.5262000000e-03  2.2270000000e-04
-
-JOB 6
-COORDS -9.4096700000e-01  3.1481900000e-01 -8.7171800000e-01 -1.6078320000e+00  8.5081500000e-01 -4.4249600000e-01 -5.8525900000e-01  8.7876800000e-01 -1.5584970000e+00  9.7363800000e-01 -4.4472400000e-01  9.1178100000e-01  1.3068910000e+00  3.9220300000e-01  1.2353970000e+00  4.5753500000e-01 -2.1491500000e-01  1.3908600000e-01
-ENERGY -1.526588902118e+02
-FORCES -3.3910000000e-04  2.0303000000e-03  4.5994000000e-03  3.6762000000e-03 -1.5719000000e-03 -3.4838000000e-03 -2.8260000000e-04 -2.7679000000e-03  5.6001000000e-03 -1.0391600000e-02  5.9154000000e-03 -9.4306000000e-03 -1.7011000000e-03 -1.8407000000e-03 -1.4872000000e-03  9.0383000000e-03 -1.7653000000e-03  4.2021000000e-03
-
-JOB 7
-COORDS  7.8168900000e-01  1.8793000000e-01 -1.0365870000e+00  4.1580300000e-01  1.9794000000e-02 -1.9049700000e+00  1.2771450000e+00  1.0006040000e+00 -1.1381610000e+00 -7.8151300000e-01 -2.6474800000e-01  1.1557710000e+00 -1.5347350000e+00  2.7990100000e-01  9.2719400000e-01 -1.8573700000e-01 -1.7472600000e-01  4.1201100000e-01
-ENERGY -1.526603135343e+02
-FORCES -2.6788000000e-03  1.3217000000e-03  1.9112000000e-03  1.9501000000e-03  2.2218000000e-03  4.2485000000e-03 -3.0601000000e-03 -4.0589000000e-03 -1.0023000000e-03  6.9146000000e-03  4.0715000000e-03 -1.2669600000e-02  1.9470000000e-03 -1.3509000000e-03  1.7440000000e-04 -5.0728000000e-03 -2.2051000000e-03  7.3379000000e-03
-
-JOB 8
-COORDS -1.1391700000e+00  7.4126300000e-01 -3.9898900000e-01 -1.6842680000e+00  1.4304800000e-01  1.1212700000e-01 -2.4881100000e-01  5.8130800000e-01 -8.6085000000e-02  1.1054140000e+00 -7.0614900000e-01  2.9010300000e-01  6.7785100000e-01 -1.1065580000e+00  1.0471340000e+00  1.7930430000e+00 -1.5638300000e-01  6.6580800000e-01
-ENERGY -1.526558685505e+02
-FORCES  1.1146900000e-02 -1.0212400000e-02  3.6022000000e-03  1.6624000000e-03  1.4797000000e-03 -6.9940000000e-04 -5.5682000000e-03  7.0668000000e-03  1.4230000000e-03 -1.3801000000e-03 -1.3873000000e-03  2.6809000000e-03  4.4710000000e-04  4.1193000000e-03 -4.4535000000e-03 -6.3081000000e-03 -1.0660000000e-03 -2.5533000000e-03
-
-JOB 9
-COORDS  1.2285060000e+00 -5.3884300000e-01  1.4994800000e-01  1.8988250000e+00  4.6271000000e-02  5.0285800000e-01  8.9037000000e-01 -1.0051640000e+00  9.1443500000e-01 -1.2806930000e+00  5.6186000000e-01 -1.7028300000e-01 -1.6548460000e+00  2.0185700000e-01 -9.7442200000e-01 -3.4465400000e-01  3.7259400000e-01 -2.3540900000e-01
-ENERGY -1.526612138040e+02
-FORCES -1.8421000000e-03 -4.8770000000e-04  4.8530000000e-03 -4.6684000000e-03 -2.4783000000e-03 -1.4772000000e-03  2.2299000000e-03  3.3587000000e-03 -4.3039000000e-03  1.2052200000e-02 -5.3101000000e-03 -2.3361000000e-03  1.7510000000e-03  5.1720000000e-04  2.5146000000e-03 -9.5227000000e-03  4.4001000000e-03  7.4950000000e-04
-
-JOB 10
-COORDS  4.5691800000e-01  9.3588400000e-01  8.3361300000e-01  1.1503360000e+00  1.5957350000e+00  8.3415600000e-01 -3.4863200000e-01  1.4343940000e+00  6.9646900000e-01 -4.3169700000e-01 -1.0635920000e+00 -8.3369100000e-01 -1.8698600000e-01 -4.5108000000e-01 -1.4002100000e-01 -1.0409030000e+00 -5.7170200000e-01 -1.3842760000e+00
-ENERGY -1.526571068132e+02
-FORCES  1.9788000000e-03  5.3180000000e-04 -4.2660000000e-03 -4.7222000000e-03 -1.5232000000e-03  7.5510000000e-04  3.8404000000e-03 -5.3310000000e-03 -1.8838000000e-03  5.2097000000e-03  9.9175000000e-03  6.1881000000e-03 -8.0860000000e-03 -3.3874000000e-03 -3.5348000000e-03  1.7794000000e-03 -2.0770000000e-04  2.7414000000e-03
-
-JOB 11
-COORDS -2.2857900000e-01  1.4034660000e+00  6.2750000000e-03 -2.0506400000e-01  4.6446000000e-01 -1.7797300000e-01 -6.2395200000e-01  1.4676190000e+00  8.7564000000e-01  2.5747100000e-01 -1.3032670000e+00 -9.1442000000e-02 -5.3790400000e-01 -1.7440470000e+00  2.0742900000e-01  9.6057500000e-01 -1.7045210000e+00  4.1931300000e-01
-ENERGY -1.526588380526e+02
-FORCES  2.6925000000e-03 -1.3918600000e-02  1.7337000000e-03 -5.3511000000e-03  7.9165000000e-03 -4.3660000000e-04  9.1150000000e-04 -8.2740000000e-04 -2.3202000000e-03  2.4193000000e-03  2.1732000000e-03  3.7113000000e-03  3.9741000000e-03  4.4331000000e-03 -6.0660000000e-04 -4.6463000000e-03  2.2330000000e-04 -2.0816000000e-03
-
-JOB 12
-COORDS -6.4721800000e-01 -1.1973930000e+00  4.1986500000e-01 -8.4519500000e-01 -1.6015480000e+00 -4.2494000000e-01 -3.1660400000e-01 -3.2696100000e-01  1.9788800000e-01  6.2608600000e-01  1.1125460000e+00 -3.8994800000e-01  1.2495210000e+00  1.2554420000e+00  3.2219000000e-01  2.2529400000e-01  1.9698330000e+00 -5.3367100000e-01
-ENERGY -1.526610313967e+02
-FORCES  5.5975000000e-03  1.0898500000e-02 -7.6347000000e-03  1.8990000000e-04  1.2118000000e-03  2.1949000000e-03 -3.3940000000e-03 -7.6943000000e-03  5.4268000000e-03 -7.1700000000e-05  6.8210000000e-04  2.3220000000e-03 -4.8472000000e-03 -7.0660000000e-04 -3.5006000000e-03  2.5255000000e-03 -4.3914000000e-03  1.1916000000e-03
-
-JOB 13
-COORDS  1.2145860000e+00  3.4135600000e-01 -3.6428100000e-01  2.0841610000e+00 -3.1918000000e-02 -2.2027700000e-01  1.3598650000e+00  1.0560220000e+00 -9.8426500000e-01 -1.2871980000e+00 -3.9167400000e-01  4.5690600000e-01 -1.9214960000e+00 -1.2142100000e-01 -2.0706800000e-01 -4.3499900000e-01 -1.8697400000e-01  7.2084000000e-02
-ENERGY -1.526600936962e+02
-FORCES -1.8797000000e-03 -1.1497000000e-03  1.4203000000e-03 -3.2456000000e-03  3.3635000000e-03 -1.7936000000e-03 -3.2900000000e-05 -3.9448000000e-03  2.7412000000e-03  1.1165500000e-02  3.5435000000e-03 -5.2037000000e-03  2.9159000000e-03  7.3200000000e-05  1.2743000000e-03 -8.9232000000e-03 -1.8857000000e-03  1.5615000000e-03
-
-JOB 14
-COORDS -2.8351300000e-01 -1.0545270000e+00 -7.7092200000e-01  3.1086500000e-01 -1.7749440000e+00 -9.8055400000e-01 -5.0407400000e-01 -6.7068100000e-01 -1.6195960000e+00  2.3590200000e-01  1.1132300000e+00  8.7532700000e-01 -1.8585900000e-01  4.5862600000e-01  3.1869100000e-01  1.1636270000e+00  1.0620740000e+00  6.4523900000e-01
-ENERGY -1.526586167396e+02
-FORCES  3.7809000000e-03  3.0670000000e-04  5.3430000000e-04 -2.9825000000e-03  3.6991000000e-03 -6.8160000000e-04  2.0174000000e-03 -7.5220000000e-04  5.5951000000e-03  8.9930000000e-04 -1.2391900000e-02 -7.9874000000e-03 -1.9661000000e-03  8.1189000000e-03  1.5652000000e-03 -1.7490000000e-03  1.0194000000e-03  9.7430000000e-04
-
-JOB 15
-COORDS -2.4571000000e-01  8.3687200000e-01 -1.1422720000e+00 -1.4542200000e-01  4.6374400000e-01 -2.6651600000e-01  6.4986000000e-01  9.3263700000e-01 -1.4663330000e+00  1.9208700000e-01 -7.5258400000e-01  1.0863580000e+00 -4.0936500000e-01 -1.0970360000e+00  1.7465400000e+00  7.0417200000e-01 -1.5121080000e+00  8.0864500000e-01
-ENERGY -1.526603934013e+02
-FORCES  3.8780000000e-03 -6.3140000000e-03  1.0508900000e-02 -9.5800000000e-04  5.8087000000e-03 -7.3611000000e-03 -2.3139000000e-03 -1.3250000000e-03  1.0790000000e-03 -1.7495000000e-03 -2.1578000000e-03 -3.2492000000e-03  3.4822000000e-03  5.0470000000e-04 -3.2605000000e-03 -2.3388000000e-03  3.4833000000e-03  2.2829000000e-03
-
-JOB 16
-COORDS -9.0136700000e-01 -2.2418200000e-01  1.0739930000e+00 -5.5174400000e-01  5.4143000000e-02  2.2751200000e-01 -1.8389660000e+00 -3.4006600000e-01  9.2001000000e-01  8.7284800000e-01  2.4595100000e-01 -1.0132490000e+00  1.0563130000e+00 -5.3944100000e-01 -1.5287420000e+00  1.7142680000e+00  4.7651300000e-01 -6.1944100000e-01
-ENERGY -1.526610884813e+02
-FORCES  5.2145000000e-03  2.6051000000e-03 -9.0459000000e-03 -7.9217000000e-03 -1.7531000000e-03  7.3806000000e-03  3.6958000000e-03  2.4610000000e-04 -1.3855000000e-03  3.0433000000e-03 -3.4039000000e-03  3.7547000000e-03 -5.9070000000e-04  3.9129000000e-03  2.3589000000e-03 -3.4412000000e-03 -1.6071000000e-03 -3.0629000000e-03
-
-JOB 17
-COORDS -1.0063590000e+00 -8.7438700000e-01  2.7333700000e-01 -1.1118510000e+00 -1.7556810000e+00  6.3170100000e-01 -1.2352400000e+00 -9.6256600000e-01 -6.5190300000e-01  1.0720400000e+00  9.6010300000e-01 -2.1066400000e-01  7.6359500000e-01  8.9916000000e-02  4.2060000000e-02  5.4388400000e-01  1.1892030000e+00 -9.7538400000e-01
-ENERGY -1.526569352519e+02
-FORCES -2.2724000000e-03 -1.5273000000e-03 -2.0964000000e-03  1.2855000000e-03  4.7040000000e-03 -2.1822000000e-03  3.1220000000e-03  1.4037000000e-03  4.4559000000e-03 -1.0567700000e-02 -7.0999000000e-03  1.6289000000e-03  6.8429000000e-03  3.4305000000e-03 -3.0718000000e-03  1.5897000000e-03 -9.1100000000e-04  1.2656000000e-03
-
-JOB 18
-COORDS -5.8585200000e-01  7.0052400000e-01 -1.0262970000e+00  2.4118600000e-01  6.1419400000e-01 -1.5004150000e+00 -7.5544900000e-01  1.6424230000e+00 -1.0091330000e+00  5.9872700000e-01 -7.3061600000e-01  1.0925870000e+00  1.5428700000e-01 -1.5757800000e+00  1.0262270000e+00  1.3204200000e-01 -1.6509100000e-01  4.7726700000e-01
-ENERGY -1.526613561432e+02
-FORCES  2.3516000000e-03  2.7728000000e-03 -1.6318000000e-03 -4.4859000000e-03  3.1450000000e-04  4.6919000000e-03  1.7077000000e-03 -4.8497000000e-03 -3.9960000000e-04 -8.6038000000e-03  4.1842000000e-03 -7.9218000000e-03  1.5154000000e-03  2.4598000000e-03 -2.4130000000e-04  7.5151000000e-03 -4.8816000000e-03  5.5026000000e-03
-
-JOB 19
-COORDS -6.3348400000e-01  5.8128700000e-01 -1.1679510000e+00 -4.7885800000e-01  3.2702300000e-01 -2.5818600000e-01 -7.6412000000e-02  1.3482690000e+00 -1.3007740000e+00  5.5096900000e-01 -5.5951600000e-01  1.0948060000e+00  1.2119690000e+00 -1.0819350000e+00  6.4050600000e-01  4.7613100000e-01 -9.6548900000e-01  1.9584130000e+00
-ENERGY -1.526610810953e+02
-FORCES  4.5207000000e-03 -1.2698000000e-03  9.8744000000e-03 -2.9305000000e-03  3.3528000000e-03 -7.7351000000e-03 -1.1361000000e-03 -2.7257000000e-03  2.5870000000e-04  8.5030000000e-04 -2.7667000000e-03 -1.8013000000e-03 -2.7271000000e-03  2.3560000000e-03  3.7688000000e-03  1.4227000000e-03  1.0534000000e-03 -4.3655000000e-03
-
-JOB 20
-COORDS  7.4544100000e-01  8.6520800000e-01  9.0564900000e-01  1.9503000000e-01  4.2578000000e-01  2.5743500000e-01  1.2255000000e+00  1.5599200000e-01  1.3331850000e+00 -7.6084500000e-01 -7.3438700000e-01 -8.7167300000e-01  2.5331000000e-02 -9.5351100000e-01 -1.3718160000e+00 -1.2150170000e+00 -1.5695940000e+00 -7.6036400000e-01
-ENERGY -1.526592974033e+02
-FORCES -7.1370000000e-03 -8.7785000000e-03 -4.5427000000e-03  8.1643000000e-03  5.0193000000e-03  1.6417000000e-03 -9.8630000000e-04  1.8225000000e-03 -1.7016000000e-03  1.4740000000e-04 -3.4119000000e-03  1.0210000000e-03 -3.3334000000e-03  2.0294000000e-03  5.3671000000e-03  3.1451000000e-03  3.3191000000e-03 -1.7856000000e-03
-
-JOB 21
-COORDS -2.4098300000e-01 -4.6179700000e-01 -1.3728270000e+00 -1.1227710000e+00 -8.9534000000e-02 -1.3627190000e+00  2.0138800000e-01 -5.1195000000e-02 -6.2989600000e-01  2.2023200000e-01  3.8820400000e-01  1.2867210000e+00  1.5183900000e-01  1.2466320000e+00  1.7046390000e+00  1.0597760000e+00  4.0843000000e-02  1.5879460000e+00
-ENERGY -1.526592713208e+02
-FORCES -1.9099000000e-03  5.3231000000e-03  1.2051900000e-02  2.0269000000e-03 -9.3690000000e-04 -1.4081000000e-03  2.3894000000e-03 -3.1300000000e-03 -7.7029000000e-03  1.2988000000e-03  7.2610000000e-04  2.1106000000e-03  3.5900000000e-04 -4.5841000000e-03 -1.9708000000e-03 -4.1641000000e-03  2.6019000000e-03 -3.0808000000e-03
-
-JOB 22
-COORDS -7.0510000000e-02  1.5147600000e-01 -1.4263140000e+00 -5.2682900000e-01  8.5327500000e-01 -1.8905160000e+00 -3.9388300000e-01  2.0860400000e-01 -5.2720400000e-01  1.6968500000e-01 -2.2463300000e-01  1.3788430000e+00 -9.4800000000e-03  7.1340100000e-01  1.4438230000e+00 -6.2090500000e-01 -6.4404800000e-01  1.7183870000e+00
-ENERGY -1.526547619333e+02
-FORCES -2.7290000000e-04 -1.2681000000e-03  7.6025000000e-03  1.6436000000e-03 -2.2507000000e-03  4.1298000000e-03 -3.3554000000e-03  5.2991000000e-03 -6.4401000000e-03 -2.9090000000e-04  8.8530000000e-04  3.6181000000e-03 -1.3067000000e-03 -5.7329000000e-03 -4.9911000000e-03  3.5823000000e-03  3.0673000000e-03 -3.9192000000e-03
-
-JOB 23
-COORDS  5.3392300000e-01 -1.2268700000e+00  5.7001700000e-01  1.4784520000e+00 -1.3264260000e+00  4.5092000000e-01  3.6424000000e-01 -3.0387100000e-01  3.8157100000e-01 -5.8245000000e-01  1.1444760000e+00 -4.9416700000e-01 -7.8687000000e-01  8.2642700000e-01 -1.3735350000e+00 -3.5439800000e-01  2.0656760000e+00 -6.1913100000e-01
-ENERGY -1.526610818536e+02
-FORCES -1.2056000000e-03  9.3517000000e-03 -2.6798000000e-03 -3.1233000000e-03  1.2719000000e-03 -2.2070000000e-04  4.3981000000e-03 -9.0178000000e-03  2.7835000000e-03 -8.3470000000e-04  1.7630000000e-04 -3.7803000000e-03  1.6601000000e-03  2.9218000000e-03  4.1821000000e-03 -8.9460000000e-04 -4.7038000000e-03 -2.8480000000e-04
-
-JOB 24
-COORDS  1.3614500000e-01  5.1492900000e-01  1.2634250000e+00  4.0527500000e-01  1.4193400000e-01  2.1028750000e+00  6.4091200000e-01  1.3246920000e+00  1.1877490000e+00 -1.3317800000e-01 -5.5518000000e-01 -1.3558480000e+00 -1.0530900000e+00 -3.2215900000e-01 -1.4811300000e+00 -6.1430000000e-03 -5.2959700000e-01 -4.0746000000e-01
-ENERGY -1.526609335781e+02
-FORCES  3.0741000000e-03  3.2535000000e-03 -5.8600000000e-05 -8.6940000000e-04  1.8225000000e-03 -4.5432000000e-03 -2.4150000000e-03 -3.9447000000e-03  2.0805000000e-03 -2.2229000000e-03  4.1482000000e-03  1.0625900000e-02  2.6753000000e-03 -6.0020000000e-04 -2.1010000000e-04 -2.4220000000e-04 -4.6792000000e-03 -7.8945000000e-03
-
-JOB 25
-COORDS -4.3660400000e-01  7.4119000000e-01 -1.0991440000e+00 -7.9781000000e-02  1.5653500000e-01 -1.7677910000e+00 -6.0640000000e-03  1.5808290000e+00 -1.2600010000e+00  3.4057800000e-01 -7.8749500000e-01  1.1836870000e+00  1.2840650000e+00 -8.1936200000e-01  1.3419540000e+00  2.4956700000e-01 -2.8055100000e-01  3.7686800000e-01
-ENERGY -1.526596564016e+02
-FORCES  5.9570000000e-04  2.5865000000e-03 -3.6246000000e-03 -1.0690000000e-04  2.7070000000e-03  6.2222000000e-03 -1.4479000000e-03 -5.0988000000e-03  6.8920000000e-04 -1.4255000000e-03  6.8228000000e-03 -7.5383000000e-03 -3.0883000000e-03  9.6250000000e-04 -1.9199000000e-03  5.4729000000e-03 -7.9800000000e-03  6.1714000000e-03
-
-JOB 26
-COORDS  1.9065000000e-02  1.3979800000e+00 -4.4260400000e-01 -5.1250200000e-01  1.5820150000e+00 -1.2170710000e+00 -1.0000000000e-05  4.4458900000e-01 -3.5945300000e-01  3.1594000000e-02 -1.3254670000e+00  5.5016200000e-01  6.2572100000e-01 -1.6965780000e+00 -1.0215900000e-01 -8.3861100000e-01 -1.4178470000e+00  1.6229500000e-01
-ENERGY -1.526565662913e+02
-FORCES -2.7640000000e-04 -8.0286000000e-03  2.5791000000e-03  1.5009000000e-03 -2.8423000000e-03  3.2061000000e-03 -2.2058000000e-03  6.6208000000e-03 -7.5318000000e-03 -1.0163000000e-03 -4.8552000000e-03 -5.1960000000e-04 -4.1218000000e-03  4.8875000000e-03  2.3593000000e-03  6.1194000000e-03  4.2178000000e-03 -9.3200000000e-05
-
-JOB 27
-COORDS  1.2687840000e+00 -7.7545000000e-01 -5.4303000000e-02  5.5544800000e-01 -1.6646600000e-01  1.3680800000e-01  9.1080500000e-01 -1.6379460000e+00  1.5589600000e-01 -1.1470710000e+00  8.1405600000e-01  2.3749000000e-02 -1.7563380000e+00  5.6439300000e-01 -6.7101300000e-01 -1.6225320000e+00  6.3620400000e-01  8.3525200000e-01
-ENERGY -1.526602628582e+02
-FORCES -1.0170600000e-02  4.2252000000e-03  6.9810000000e-04  8.3222000000e-03 -5.8031000000e-03  1.9320000000e-03  6.2590000000e-04  2.6309000000e-03 -5.6580000000e-04 -4.2159000000e-03 -1.5391000000e-03 -2.1459000000e-03  2.0266000000e-03  1.1337000000e-03  4.4545000000e-03  3.4118000000e-03 -6.4770000000e-04 -4.3729000000e-03
-
-JOB 28
-COORDS -1.4141770000e+00 -1.7965000000e-01 -4.4901100000e-01 -4.6819300000e-01 -7.9884000000e-02 -3.4227000000e-01 -1.6404960000e+00 -9.2762800000e-01  1.0374600000e-01  1.3832320000e+00  2.7496200000e-01  3.6737700000e-01  9.5014000000e-01  2.6577600000e-01  1.2209460000e+00  1.6430880000e+00 -6.3447700000e-01  2.2031500000e-01
-ENERGY -1.526579787022e+02
-FORCES  8.7401000000e-03  2.3700000000e-04  1.9647000000e-03 -9.2853000000e-03 -4.4456000000e-03  5.1580000000e-04  2.2993000000e-03  2.8767000000e-03 -1.0921000000e-03  2.6497000000e-03 -1.9362000000e-03  5.0922000000e-03  2.2710000000e-04 -1.5101000000e-03 -6.5752000000e-03 -4.6309000000e-03  4.7782000000e-03  9.4600000000e-05
-
-JOB 29
-COORDS -1.0189720000e+00  8.4779400000e-01 -5.6772700000e-01 -5.1056000000e-01  1.1347880000e+00 -1.3262670000e+00 -9.2865300000e-01  1.5601850000e+00  6.5182000000e-02  9.8147100000e-01 -9.5648800000e-01  6.1235800000e-01  1.7522960000e+00 -5.4990100000e-01  2.1644400000e-01  2.5391200000e-01 -3.8806800000e-01  3.5979800000e-01
-ENERGY -1.526594038502e+02
-FORCES  3.6480000000e-04  5.0653000000e-03 -2.9021000000e-03 -1.3960000000e-03 -1.6955000000e-03  5.0582000000e-03  1.5574000000e-03 -5.4986000000e-03 -2.9116000000e-03 -5.9428000000e-03  6.6022000000e-03 -5.7029000000e-03 -2.7086000000e-03 -6.5420000000e-04  8.8300000000e-04  8.1253000000e-03 -3.8192000000e-03  5.5754000000e-03
-
-JOB 30
-COORDS  1.9879800000e-01  9.5429200000e-01  1.1658240000e+00  1.0995040000e+00  7.0011700000e-01  9.6493800000e-01 -3.2637000000e-01  5.3652100000e-01  4.8325700000e-01 -2.1919200000e-01 -8.8299600000e-01 -1.0571030000e+00  4.9304000000e-01 -1.3466450000e+00 -1.4975420000e+00 -9.7114600000e-01 -9.8913200000e-01 -1.6397970000e+00
-ENERGY -1.526589407159e+02
-FORCES  1.1996000000e-03 -7.7121000000e-03 -8.9441000000e-03 -1.1408000000e-03  1.5648000000e-03  1.8716000000e-03 -1.8174000000e-03  5.2307000000e-03  5.1053000000e-03  1.6382000000e-03 -1.7876000000e-03 -2.4928000000e-03 -3.5572000000e-03  1.9340000000e-03  1.4725000000e-03  3.6776000000e-03  7.7030000000e-04  2.9875000000e-03
-
-JOB 31
-COORDS -4.6313700000e-01  1.0302680000e+00 -8.2653600000e-01 -4.9497300000e-01  1.0157400000e+00 -1.7830960000e+00 -3.8216700000e-01  1.9575120000e+00 -6.0316500000e-01  4.6547700000e-01 -1.0855840000e+00  9.3623600000e-01  7.9355000000e-01 -1.6864560000e+00  2.6724200000e-01  2.4573000000e-02 -3.9421700000e-01  4.4242700000e-01
-ENERGY -1.526608909609e+02
-FORCES  1.3195000000e-03  2.1463000000e-03 -1.8361000000e-03  3.5430000000e-04  1.0452000000e-03  4.2603000000e-03 -6.3360000000e-04 -4.1615000000e-03 -2.1495000000e-03 -2.4136000000e-03  5.8071000000e-03 -8.6387000000e-03 -8.9370000000e-04  1.3654000000e-03  1.8414000000e-03  2.2671000000e-03 -6.2025000000e-03  6.5226000000e-03
-
-JOB 32
-COORDS  5.5958800000e-01  1.0640280000e+00  7.3030200000e-01  7.5075300000e-01  1.9252030000e+00  3.5873200000e-01  1.1932990000e+00  9.6305600000e-01  1.4405460000e+00 -6.4383100000e-01 -1.1356560000e+00 -7.0279600000e-01 -6.2499700000e-01 -1.2794610000e+00 -1.6489450000e+00  1.1949000000e-02 -4.5525200000e-01 -5.5036700000e-01
-ENERGY -1.526595379416e+02
-FORCES  1.7925000000e-03  2.7449000000e-03  3.2999000000e-03 -4.6550000000e-04 -4.6418000000e-03  1.3712000000e-03 -2.7975000000e-03  1.3173000000e-03 -3.6608000000e-03  4.0757000000e-03  6.1828000000e-03  1.9093000000e-03  5.3400000000e-04  1.7928000000e-03  3.3731000000e-03 -3.1392000000e-03 -7.3960000000e-03 -6.2928000000e-03
-
-JOB 33
-COORDS -1.0182300000e-01 -2.7661900000e-01 -1.4081230000e+00  6.7364000000e-01 -7.4604600000e-01 -1.1006700000e+00 -4.3120400000e-01 -8.0672200000e-01 -2.1338850000e+00  1.4077300000e-01  3.5654600000e-01  1.4236000000e+00 -3.8657300000e-01  3.6338400000e-01  2.2224060000e+00 -4.3772800000e-01 -1.4406000000e-02  7.5729500000e-01
-ENERGY -1.526594426489e+02
-FORCES  4.0168000000e-03 -2.7484000000e-03 -3.2501000000e-03 -5.9310000000e-03  1.3923000000e-03 -1.2346000000e-03  1.8312000000e-03  2.2010000000e-03  3.4179000000e-03 -4.9848000000e-03 -3.3290000000e-04 -3.3373000000e-03  1.1852000000e-03 -2.3100000000e-04 -3.6221000000e-03  3.8826000000e-03 -2.8110000000e-04  8.0262000000e-03
-
-JOB 34
-COORDS -1.0817300000e+00 -1.6036200000e-01 -1.0584210000e+00 -5.4384700000e-01 -8.7587000000e-02 -1.8468480000e+00 -4.5010400000e-01 -2.2989200000e-01 -3.4256800000e-01  9.7222800000e-01  2.0068700000e-01  1.0265160000e+00  6.9659700000e-01 -2.8184300000e-01  1.8058900000e+00  1.8880650000e+00 -4.8078000000e-02  9.0164800000e-01
-ENERGY -1.526603373593e+02
-FORCES  9.3300000000e-03  2.3146000000e-03  4.5091000000e-03 -1.5715000000e-03 -4.8370000000e-04  2.0625000000e-03 -7.8696000000e-03 -3.3188000000e-03 -5.2724000000e-03  3.7314000000e-03 -1.3295000000e-03  3.1921000000e-03  1.0520000000e-03  1.8066000000e-03 -5.2396000000e-03 -4.6724000000e-03  1.0109000000e-03  7.4830000000e-04
-
-JOB 35
-COORDS  1.2204930000e+00  3.6731000000e-02  7.3481600000e-01  7.8698000000e-01  2.4335000000e-02  1.5881300000e+00  2.1363920000e+00  2.3112200000e-01  9.3374500000e-01 -1.2607900000e+00  1.2737000000e-02 -8.1153400000e-01 -5.6713300000e-01 -3.0423600000e-01 -2.3308800000e-01 -1.7060710000e+00 -7.8051500000e-01 -1.1093710000e+00
-ENERGY -1.526581091780e+02
-FORCES  3.8152000000e-03  2.6010000000e-03  1.9811000000e-03  7.4480000000e-04 -1.2242000000e-03 -5.7064000000e-03 -4.0541000000e-03 -6.3930000000e-04  6.6590000000e-04  6.0775000000e-03 -2.8203000000e-03  1.4463000000e-03 -8.7809000000e-03 -5.2130000000e-04  9.2500000000e-05  2.1975000000e-03  2.6041000000e-03  1.5206000000e-03
-
-JOB 36
-COORDS  5.8112000000e-02 -5.5291600000e-01  1.3139870000e+00 -7.2825900000e-01 -9.2909100000e-01  1.7093900000e+00  7.8153900000e-01 -9.2208500000e-01  1.8205430000e+00 -2.0125000000e-02  6.3099300000e-01 -1.4122630000e+00  3.5030700000e-01  7.9176000000e-02 -7.2341600000e-01 -9.6704500000e-01  5.6682300000e-01 -1.2879330000e+00
-ENERGY -1.526590986169e+02
-FORCES -1.3083000000e-03 -2.0269000000e-03  3.7478000000e-03  3.7680000000e-03  1.7088000000e-03 -1.5677000000e-03 -3.5882000000e-03  1.5436000000e-03 -2.7256000000e-03 -2.5146000000e-03 -4.1023000000e-03  9.6337000000e-03  1.6828000000e-03  2.3109000000e-03 -7.4580000000e-03  1.9602000000e-03  5.6600000000e-04 -1.6303000000e-03
-
-JOB 37
-COORDS -3.7261900000e-01 -8.9804600000e-01 -1.1978760000e+00 -8.9741800000e-01 -1.8375700000e-01 -1.5592760000e+00  1.7508900000e-01 -4.8080200000e-01 -5.3292900000e-01  4.1150000000e-01  8.3729800000e-01  1.1329890000e+00  4.7370700000e-01  4.0580000000e-01  1.9851460000e+00 -4.1042700000e-01  1.3263970000e+00  1.1710800000e+00
-ENERGY -1.526599792697e+02
-FORCES  2.4498000000e-03  7.6354000000e-03  5.6230000000e-03  8.5400000000e-04 -2.2080000000e-03  1.2447000000e-03 -2.5509000000e-03 -5.6643000000e-03 -6.8352000000e-03 -4.0837000000e-03  4.1410000000e-04  4.8169000000e-03 -5.4340000000e-04  2.2396000000e-03 -4.1172000000e-03  3.8741000000e-03 -2.4167000000e-03 -7.3220000000e-04
-
-JOB 38
-COORDS  3.8903400000e-01  1.0920870000e+00  8.5291300000e-01  5.5609200000e-01  1.9100430000e+00  3.8464700000e-01  8.0375700000e-01  1.2153530000e+00  1.7067530000e+00 -3.9554500000e-01 -1.2060230000e+00 -8.9880500000e-01 -1.2636510000e+00 -8.4553600000e-01 -1.0795650000e+00  2.3340000000e-03 -5.8114700000e-01 -2.9262500000e-01
-ENERGY -1.526613955060e+02
-FORCES  2.4617000000e-03  3.6266000000e-03  1.8977000000e-03 -8.6390000000e-04 -3.6445000000e-03  2.8480000000e-03 -1.7489000000e-03  6.0490000000e-04 -4.1852000000e-03 -4.1150000000e-04  7.5753000000e-03  5.6663000000e-03  2.4787000000e-03 -1.2422000000e-03 -2.6520000000e-04 -1.9161000000e-03 -6.9200000000e-03 -5.9616000000e-03
-
-JOB 39
-COORDS -9.3279000000e-01 -6.5830500000e-01 -1.0492250000e+00 -1.5484960000e+00  4.5140000000e-02 -1.2549000000e+00 -1.6176400000e-01 -2.0883600000e-01 -7.0320600000e-01  9.2903500000e-01  5.3071800000e-01  1.0112330000e+00  1.3560500000e-01  8.9361800000e-01  1.4049400000e+00  1.5946890000e+00  1.2048640000e+00  1.1478490000e+00
-ENERGY -1.526595325882e+02
-FORCES  4.7817000000e-03  4.7401000000e-03  2.4574000000e-03  2.1569000000e-03 -2.0595000000e-03  1.7547000000e-03 -7.5449000000e-03 -2.5049000000e-03 -5.1214000000e-03  3.4030000000e-04  3.5413000000e-03  4.8556000000e-03  4.0200000000e-03 -8.4980000000e-04 -3.5829000000e-03 -3.7540000000e-03 -2.8672000000e-03 -3.6330000000e-04
-
-JOB 40
-COORDS  1.0882830000e+00 -1.0258550000e+00  2.4948000000e-02  1.1414040000e+00 -1.1463120000e+00 -9.2315500000e-01  7.2702000000e-01 -1.8498470000e+00  3.5168600000e-01 -1.1074930000e+00  1.0959180000e+00 -4.8275000000e-02 -1.3073530000e+00  1.3758080000e+00  8.4500500000e-01 -3.3748000000e-01  5.3463900000e-01  4.2709000000e-02
-ENERGY -1.526614762401e+02
-FORCES  6.9000000000e-05 -6.4267000000e-03 -2.7238000000e-03 -1.1167000000e-03  1.1242000000e-03  5.1909000000e-03  1.8667000000e-03  4.0034000000e-03 -1.7249000000e-03  6.2713000000e-03 -4.2311000000e-03  3.9761000000e-03  5.5530000000e-04 -1.3269000000e-03 -2.7147000000e-03 -7.6456000000e-03  6.8571000000e-03 -2.0036000000e-03
-
-JOB 41
-COORDS  2.8158000000e-01 -3.1704700000e-01 -1.4228750000e+00  1.0873230000e+00  1.0549300000e-01 -1.7203140000e+00  2.8491100000e-01 -1.1711860000e+00 -1.8549270000e+00 -2.8967500000e-01  3.7547000000e-01  1.5083700000e+00 -1.0848600000e+00 -1.3889200000e-01  1.6474590000e+00 -9.1701000000e-02  2.6455400000e-01  5.7845800000e-01
-ENERGY -1.526610380555e+02
-FORCES  3.2182000000e-03 -3.1391000000e-03 -3.7137000000e-03 -3.9098000000e-03 -2.3513000000e-03  1.7371000000e-03  4.1850000000e-04  4.1983000000e-03  1.0502000000e-03 -1.6504000000e-03 -3.7695000000e-03 -7.9830000000e-03  2.3862000000e-03  1.3894000000e-03  9.4400000000e-05 -4.6270000000e-04  3.6723000000e-03  8.8149000000e-03
-
-JOB 42
-COORDS -1.4074940000e+00 -5.8875900000e-01 -1.5102100000e-01 -1.1729490000e+00 -3.9892700000e-01 -1.0594170000e+00 -1.9810110000e+00  1.3366200000e-01  1.0474700000e-01  1.4811090000e+00  5.6583500000e-01  2.0627000000e-01  7.0993700000e-01  8.9747800000e-01 -2.5366400000e-01  1.3000490000e+00 -3.6476800000e-01  3.3828200000e-01
-ENERGY -1.526554563446e+02
-FORCES -3.4873000000e-03  2.8443000000e-03 -1.8277000000e-03  1.3261000000e-03  6.4960000000e-04  5.4497000000e-03  3.4876000000e-03 -2.8621000000e-03 -1.8600000000e-03 -8.1741000000e-03 -4.9885000000e-03  6.4830000000e-04  2.8510000000e-03  1.2089000000e-03 -1.2566000000e-03  3.9968000000e-03  3.1478000000e-03 -1.1537000000e-03
-
-JOB 43
-COORDS -1.2775400000e-01 -4.8197600000e-01 -1.5108440000e+00 -3.6053800000e-01  4.2671200000e-01 -1.3202420000e+00  6.7518600000e-01 -6.3364800000e-01 -1.0123310000e+00  7.5390000000e-02  4.8425900000e-01  1.5165860000e+00  9.6269000000e-01  2.0711500000e-01  1.2882860000e+00 -4.9399700000e-01 -7.1282000000e-02  9.8422900000e-01
-ENERGY -1.526548684778e+02
-FORCES  3.6561000000e-03  5.2324000000e-03  1.0105000000e-03  2.0400000000e-05 -5.6142000000e-03 -1.9960000000e-04 -3.9166000000e-03  2.4500000000e-05  6.1470000000e-04  3.7780000000e-04 -5.2693000000e-03 -2.5056000000e-03 -3.6175000000e-03  1.1802000000e-03 -1.2932000000e-03  3.4798000000e-03  4.4464000000e-03  2.3732000000e-03
-
-JOB 44
-COORDS -1.1044160000e+00  6.3150800000e-01 -9.4340300000e-01 -1.9248590000e+00  1.4363700000e-01 -8.7207900000e-01 -6.6305300000e-01  4.8237400000e-01 -1.0722800000e-01  1.0816190000e+00 -6.2782200000e-01  8.5281400000e-01  9.5769000000e-01 -3.5832200000e-01  1.7628930000e+00  1.9677520000e+00 -3.3846900000e-01  6.3538400000e-01
-ENERGY -1.526583022173e+02
-FORCES  2.6089000000e-03 -5.3427000000e-03  4.9191000000e-03  2.7540000000e-03  1.8096000000e-03  8.2400000000e-05 -6.6960000000e-03  4.8386000000e-03 -3.0208000000e-03  6.5446000000e-03  3.2150000000e-04  1.4159000000e-03 -1.2121000000e-03 -1.3480000000e-04 -5.4451000000e-03 -3.9995000000e-03 -1.4922000000e-03  2.0484000000e-03
-
-JOB 45
-COORDS -1.6497700000e-01 -1.2595160000e+00 -9.7773700000e-01 -2.7046600000e-01 -3.1668700000e-01 -8.5054700000e-01 -1.0475100000e+00 -1.5758490000e+00 -1.1708730000e+00  1.7400000000e-01  1.2358800000e+00  9.4783200000e-01  2.3041300000e-01  9.0669800000e-01  1.8448770000e+00  1.0840850000e+00  1.3013340000e+00  6.5853800000e-01
-ENERGY -1.526586282726e+02
-FORCES -4.1033000000e-03  5.0243000000e-03  2.3155000000e-03  1.3417000000e-03 -5.7982000000e-03 -5.2196000000e-03  3.0796000000e-03  1.1099000000e-03  9.2730000000e-04  4.4207000000e-03 -2.3196000000e-03  5.0916000000e-03  7.4900000000e-05  2.5374000000e-03 -3.3459000000e-03 -4.8137000000e-03 -5.5380000000e-04  2.3120000000e-04
-
-JOB 46
-COORDS  4.4034900000e-01  1.3787960000e+00  5.1677700000e-01 -3.9296600000e-01  1.8475140000e+00  5.6283500000e-01  1.0846070000e+00  2.0009040000e+00  8.5463200000e-01 -4.3801100000e-01 -1.4760590000e+00 -5.8872600000e-01  2.2923400000e-01 -8.1118300000e-01 -4.1856200000e-01 -9.9763500000e-01 -1.4586420000e+00  1.8764400000e-01
-ENERGY -1.526594643542e+02
-FORCES -8.8600000000e-04  5.7891000000e-03  1.3819000000e-03  3.9518000000e-03 -1.9268000000e-03  6.0870000000e-04 -3.3127000000e-03 -2.3307000000e-03 -1.4171000000e-03  2.1165000000e-03  5.7967000000e-03  5.1227000000e-03 -2.5697000000e-03 -6.6516000000e-03 -2.7509000000e-03  7.0000000000e-04 -6.7680000000e-04 -2.9454000000e-03
-
-JOB 47
-COORDS  2.8837700000e-01  8.5509200000e-01 -1.3125020000e+00 -2.4629500000e-01  9.1579000000e-02 -1.0947750000e+00  5.3221100000e-01  7.2391700000e-01 -2.2287820000e+00 -3.2611300000e-01 -7.7051300000e-01  1.3771290000e+00 -1.8330900000e-01 -1.7060300000e+00  1.2334390000e+00  5.1015200000e-01 -3.6275300000e-01  1.1521290000e+00
-ENERGY -1.526580149385e+02
-FORCES -3.3784000000e-03 -2.8575000000e-03 -2.5021000000e-03  5.0183000000e-03  3.2665000000e-03 -3.2502000000e-03 -1.2323000000e-03 -1.3350000000e-04  4.0018000000e-03  5.5371000000e-03 -8.8230000000e-04  1.5484000000e-03 -9.7510000000e-04  4.3536000000e-03 -8.3110000000e-04 -4.9697000000e-03 -3.7468000000e-03  1.0332000000e-03
-
-JOB 48
-COORDS  4.9896800000e-01  1.5033400000e+00  1.5744000000e-01  1.2666470000e+00  1.9323690000e+00  5.3537500000e-01  7.8229500000e-01  1.2293450000e+00 -7.1484800000e-01 -5.7929800000e-01 -1.5774340000e+00 -1.2418700000e-01  1.6961200000e-01 -1.2088370000e+00  3.4432400000e-01 -8.4068500000e-01 -8.9034900000e-01 -7.3723100000e-01
-ENERGY -1.526558371692e+02
-FORCES  4.5411000000e-03  3.4923000000e-03 -1.8178000000e-03 -3.3876000000e-03 -2.4580000000e-03 -1.7381000000e-03 -2.4539000000e-03 -7.7340000000e-04  4.4553000000e-03  1.2388000000e-03  7.4951000000e-03  1.8627000000e-03 -1.5465000000e-03 -4.4119000000e-03 -2.8070000000e-03  1.6081000000e-03 -3.3441000000e-03  4.4900000000e-05
-
-JOB 49
-COORDS  3.2931000000e-02 -1.4668230000e+00  7.3351900000e-01  6.3798300000e-01 -7.6091200000e-01  9.6119100000e-01  4.6521700000e-01 -1.9317030000e+00  1.7106000000e-02 -4.0760000000e-02  1.4729730000e+00 -6.9308800000e-01 -3.2955700000e-01  6.6360700000e-01 -1.1146980000e+00 -8.5178900000e-01  1.9218270000e+00 -4.5435600000e-01
-ENERGY -1.526573229836e+02
-FORCES  5.3877000000e-03  2.3603000000e-03 -2.4900000000e-04 -2.4149000000e-03 -5.2488000000e-03 -4.4970000000e-04 -2.6229000000e-03  2.7109000000e-03  1.9183000000e-03 -6.3583000000e-03 -2.5930000000e-03 -2.3240000000e-04  2.6106000000e-03  4.1382000000e-03  1.7570000000e-04  3.3979000000e-03 -1.3676000000e-03 -1.1630000000e-03
-
-JOB 50
-COORDS  4.1352300000e-01  8.8195100000e-01  1.2964740000e+00  3.3455500000e-01  1.2083500000e+00  4.0011500000e-01  1.0558160000e+00  1.4608950000e+00  1.7069800000e+00 -4.2308700000e-01 -9.9275300000e-01 -1.2473580000e+00 -1.3379620000e+00 -7.1156900000e-01 -1.2342870000e+00  5.0620000000e-02 -2.5094500000e-01 -1.6235960000e+00
-ENERGY -1.526515184660e+02
-FORCES  2.1380000000e-03  2.3223000000e-03 -2.4336000000e-03  2.1690000000e-04  1.7300000000e-05  2.4937000000e-03 -2.7060000000e-03 -2.9040000000e-03 -2.0587000000e-03 -1.9564000000e-03  2.7312000000e-03 -4.5850000000e-04  4.2991000000e-03 -6.7960000000e-04 -4.5750000000e-04 -1.9916000000e-03 -1.4872000000e-03  2.9146000000e-03
-
-JOB 51
-COORDS -1.3955500000e+00  7.2978900000e-01 -3.4143100000e-01 -2.2508750000e+00  3.0801200000e-01 -4.2361900000e-01 -1.3360210000e+00  1.3026800000e+00 -1.1059460000e+00  1.4714960000e+00 -7.8900800000e-01  4.3125900000e-01  1.9068100000e+00 -2.3082100000e-01 -2.1307100000e-01  5.5295700000e-01 -5.2168200000e-01  3.9879200000e-01
-ENERGY -1.526594866794e+02
-FORCES -5.0498000000e-03  1.7955000000e-03 -4.1022000000e-03  3.8881000000e-03  2.1266000000e-03  1.0830000000e-04 -3.2730000000e-04 -2.6904000000e-03  3.2988000000e-03 -4.8509000000e-03  4.9389000000e-03 -3.0878000000e-03 -6.4740000000e-04 -2.0239000000e-03  1.9572000000e-03  6.9873000000e-03 -4.1468000000e-03  1.8257000000e-03
-
-JOB 52
-COORDS -1.0631100000e+00 -3.4360800000e-01 -1.2410270000e+00 -1.5408190000e+00  2.5974600000e-01 -1.8102290000e+00 -1.6383700000e-01 -1.5695000000e-02 -1.2445880000e+00  1.0008210000e+00  2.4533100000e-01  1.2317010000e+00  6.9433800000e-01  7.2632700000e-01  2.0004290000e+00  1.9197830000e+00  4.9751700000e-01  1.1414600000e+00
-ENERGY -1.526551870270e+02
-FORCES  3.6657000000e-03  3.8077000000e-03  2.3100000000e-04  1.8290000000e-03 -2.1193000000e-03  2.5501000000e-03 -4.2060000000e-03 -1.4505000000e-03 -4.0542000000e-03  1.0231000000e-03  2.6263000000e-03  5.2094000000e-03  2.1532000000e-03 -1.8682000000e-03 -3.0178000000e-03 -4.4650000000e-03 -9.9600000000e-04 -9.1860000000e-04
-
-JOB 53
-COORDS  1.0956110000e+00  9.3102000000e-02 -1.2012770000e+00  4.5278100000e-01 -2.5531600000e-01 -1.8190200000e+00  1.6348460000e+00  6.8582800000e-01 -1.7248540000e+00 -1.1425110000e+00 -1.0725600000e-01  1.2408830000e+00 -9.4173400000e-01 -2.7319700000e-01  2.1619610000e+00 -2.9116300000e-01  5.7668000000e-02  8.3562000000e-01
-ENERGY -1.526598449442e+02
-FORCES  3.4600000000e-04  1.1968000000e-03 -6.5913000000e-03  3.4353000000e-03  1.9418000000e-03  2.6705000000e-03 -2.3268000000e-03 -2.9008000000e-03  1.6214000000e-03  5.7674000000e-03  3.9400000000e-04  4.2630000000e-04 -5.4370000000e-04  7.3480000000e-04 -3.2946000000e-03 -6.6782000000e-03 -1.3666000000e-03  5.1678000000e-03
-
-JOB 54
-COORDS  1.1573900000e+00  7.0981000000e-02 -1.2269350000e+00  6.1977200000e-01 -6.6407200000e-01 -9.3215100000e-01  1.5665070000e+00 -2.3964600000e-01 -2.0346260000e+00 -1.1054230000e+00 -5.4082000000e-02  1.2301020000e+00 -1.9523950000e+00  1.1398100000e-01  8.1703500000e-01 -1.1359580000e+00  4.3950500000e-01  2.0496580000e+00
-ENERGY -1.526558547991e+02
-FORCES -1.4682000000e-03 -4.4629000000e-03  1.9280000000e-04  3.4579000000e-03  2.1071000000e-03 -4.4645000000e-03 -1.9238000000e-03  1.3251000000e-03  3.3373000000e-03 -2.8883000000e-03  4.6106000000e-03  2.4633000000e-03  3.4950000000e-03 -1.3892000000e-03  1.5692000000e-03 -6.7250000000e-04 -2.1907000000e-03 -3.0980000000e-03
-
-JOB 55
-COORDS -1.2548890000e+00 -9.2789600000e-01  8.2471400000e-01 -1.0180900000e+00 -5.5010200000e-01  1.6717260000e+00 -6.2910900000e-01 -5.4697500000e-01  2.0865500000e-01  1.1568360000e+00  8.4830100000e-01 -8.3425200000e-01  1.4460190000e+00  1.3997600000e+00 -1.5612310000e+00  1.7987030000e+00  1.0074440000e+00 -1.4221800000e-01
-ENERGY -1.526587642714e+02
-FORCES  4.4559000000e-03  4.3905000000e-03 -1.1720000000e-03 -6.7570000000e-04 -1.5406000000e-03 -2.5871000000e-03 -4.8345000000e-03 -4.1455000000e-03  5.1597000000e-03  4.7974000000e-03  4.1807000000e-03 -2.2995000000e-03 -3.4380000000e-04 -2.0732000000e-03  3.5738000000e-03 -3.3993000000e-03 -8.1200000000e-04 -2.6749000000e-03
-
-JOB 56
-COORDS  1.0907140000e+00  5.2922000000e-02 -1.3726190000e+00  5.5694200000e-01  7.6392100000e-01 -1.0179370000e+00  5.5845700000e-01 -3.1888700000e-01 -2.0759640000e+00 -1.0110220000e+00 -1.0075700000e-01  1.4527080000e+00 -1.8063180000e+00 -2.4868300000e-01  9.4099200000e-01 -4.9742900000e-01  5.1190200000e-01  9.2630200000e-01
-ENERGY -1.526510865383e+02
-FORCES -4.0904000000e-03  3.3320000000e-04 -2.5264000000e-03  8.3250000000e-04 -3.3357000000e-03  1.6334000000e-03  2.3483000000e-03  1.9003000000e-03  3.1134000000e-03  2.8400000000e-05  4.3150000000e-04 -4.4194000000e-03  3.4240000000e-03  9.7850000000e-04  1.8858000000e-03 -2.5428000000e-03 -3.0780000000e-04  3.1330000000e-04
-
-JOB 57
-COORDS -1.2961090000e+00 -1.1847240000e+00  1.2247200000e-01 -1.0491430000e+00 -1.3130150000e+00 -7.9337700000e-01 -8.6407000000e-01 -1.8996020000e+00  5.8993700000e-01  1.2358010000e+00  1.2143630000e+00 -4.5063000000e-02  1.0378480000e+00  8.6252600000e-01 -9.1296600000e-01  1.8583110000e+00  1.9226530000e+00 -2.0949900000e-01
-ENERGY -1.526524713094e+02
-FORCES  3.3873000000e-03 -3.1385000000e-03 -4.2310000000e-04 -4.2730000000e-04  1.3466000000e-03  3.1929000000e-03 -2.3064000000e-03  2.4368000000e-03 -2.2504000000e-03  6.1390000000e-04  1.4809000000e-03 -4.2518000000e-03  1.5349000000e-03  9.9920000000e-04  2.7697000000e-03 -2.8024000000e-03 -3.1250000000e-03  9.6270000000e-04
-
-JOB 58
-COORDS -7.4602600000e-01 -1.5299420000e+00  3.4752300000e-01 -8.6998800000e-01 -2.0498000000e+00  1.1416350000e+00 -1.5113850000e+00 -9.5603800000e-01  3.1447700000e-01  8.1330500000e-01  1.5603310000e+00 -3.3289900000e-01  1.3937250000e+00  1.2766380000e+00 -1.0392020000e+00 -6.0191000000e-02  1.2915960000e+00 -6.1753600000e-01
-ENERGY -1.526535478604e+02
-FORCES -2.9008000000e-03  3.7200000000e-05  4.7939000000e-03  2.8230000000e-04  1.8609000000e-03 -3.5035000000e-03  3.5364000000e-03 -1.3663000000e-03 -1.1273000000e-03 -8.9030000000e-04 -5.1105000000e-03 -3.6907000000e-03 -1.9702000000e-03  2.1301000000e-03  2.4827000000e-03  1.9427000000e-03  2.4487000000e-03  1.0450000000e-03
-
-JOB 59
-COORDS -3.2895200000e-01  1.7109390000e+00  4.2719700000e-01 -6.6808000000e-02  2.0877910000e+00  1.2671350000e+00  4.9646000000e-01  1.5226840000e+00 -1.9442000000e-02  2.1204700000e-01 -1.7544540000e+00 -4.7018200000e-01  6.3084700000e-01 -1.7477850000e+00  3.9051100000e-01  7.3899100000e-01 -1.1545940000e+00 -9.9813000000e-01
-ENERGY -1.526520181334e+02
-FORCES  3.7588000000e-03  8.9900000000e-04  1.5001000000e-03 -1.0654000000e-03 -2.0195000000e-03 -3.5417000000e-03 -2.7868000000e-03 -3.3000000000e-05  1.5305000000e-03  2.3866000000e-03  3.3260000000e-03  2.0354000000e-03 -9.0840000000e-04 -3.6730000000e-04 -3.7589000000e-03 -1.3847000000e-03 -1.8052000000e-03  2.2347000000e-03
-
-JOB 60
-COORDS -1.2726610000e+00 -8.6621300000e-01 -1.0490230000e+00 -1.2653910000e+00 -1.3298300000e-01 -4.3375700000e-01 -3.8339700000e-01 -1.2185540000e+00 -1.0129950000e+00  1.2000750000e+00  8.8089400000e-01  9.6542200000e-01  1.1967730000e+00  1.1573860000e+00  1.8818130000e+00  1.6352380000e+00  2.8369000000e-02  9.7353700000e-01
-ENERGY -1.526563971746e+02
-FORCES  4.7234000000e-03  3.5465000000e-03  3.1786000000e-03 -2.3606000000e-03 -4.1586000000e-03 -3.0690000000e-03 -3.0437000000e-03 -6.9100000000e-05 -2.3410000000e-04  3.6539000000e-03 -1.1989000000e-03  5.0817000000e-03 -6.3500000000e-05 -1.3292000000e-03 -4.1244000000e-03 -2.9095000000e-03  3.2094000000e-03 -8.3270000000e-04
-
-JOB 61
-COORDS -1.7474740000e+00 -4.2926500000e-01 -1.0840300000e-01 -1.0095000000e+00 -9.0880300000e-01 -4.8479300000e-01 -2.5223470000e+00 -8.8869300000e-01 -4.3202200000e-01  1.7956320000e+00  4.3897900000e-01  1.6172200000e-01  1.0356690000e+00  6.6734500000e-01  6.9701300000e-01  1.6920370000e+00  9.5793300000e-01 -6.3589100000e-01
-ENERGY -1.526573297215e+02
-FORCES -8.6300000000e-04 -4.7680000000e-03 -2.8442000000e-03 -4.1896000000e-03  2.8080000000e-03  1.5916000000e-03  3.3484000000e-03  1.6988000000e-03  1.0498000000e-03 -3.3012000000e-03  4.7645000000e-03  7.2800000000e-05  4.4329000000e-03 -1.6948000000e-03 -2.7487000000e-03  5.7250000000e-04 -2.8086000000e-03  2.8786000000e-03
-
-JOB 62
-COORDS -2.6614700000e-01  1.7215160000e+00  5.6717600000e-01 -2.6418000000e-01  1.7589890000e+00  1.5236400000e+00 -1.1808550000e+00  1.8632300000e+00  3.2333300000e-01  3.2712400000e-01 -1.6657780000e+00 -6.1021200000e-01  8.8980000000e-02 -2.1097660000e+00  2.0366400000e-01  2.7500800000e-01 -2.3478260000e+00 -1.2797840000e+00
-ENERGY -1.526522580755e+02
-FORCES -3.7051000000e-03 -4.9000000000e-05  2.0097000000e-03  6.3400000000e-05 -4.3940000000e-04 -3.7725000000e-03  3.6081000000e-03 -1.2350000000e-04  1.2612000000e-03 -9.4380000000e-04 -4.1500000000e-03  1.1287000000e-03  8.7390000000e-04  1.5371000000e-03 -3.3008000000e-03  1.0340000000e-04  3.2248000000e-03  2.6736000000e-03
-
-JOB 63
-COORDS -6.9156300000e-01  1.4222620000e+00 -1.0354960000e+00 -1.5611630000e+00  1.7370230000e+00 -1.2823840000e+00 -8.2311700000e-01  9.9148300000e-01 -1.9089200000e-01  7.2072900000e-01 -1.4374240000e+00  1.0668600000e+00  1.2800220000e+00 -7.0220000000e-01  8.1612800000e-01  5.1164100000e-01 -1.8726660000e+00  2.4037400000e-01
-ENERGY -1.526567694114e+02
-FORCES -4.8924000000e-03 -1.1800000000e-05  2.7119000000e-03  3.4675000000e-03 -1.3673000000e-03  1.0107000000e-03  1.2225000000e-03  2.5489000000e-03 -4.6412000000e-03  3.3244000000e-03 -1.8610000000e-04 -4.8444000000e-03 -3.5006000000e-03 -2.8091000000e-03  1.7465000000e-03  3.7850000000e-04  1.8254000000e-03  4.0166000000e-03
-
-JOB 64
-COORDS  1.8222390000e+00 -8.2265000000e-02  3.5428100000e-01  1.6847710000e+00  8.2409400000e-01  7.8877000000e-02  2.5496380000e+00 -3.6836000000e-02  9.7481200000e-01 -1.8030320000e+00 -5.1210000000e-03 -3.6681200000e-01 -2.6869850000e+00 -3.0673500000e-01 -1.5731600000e-01 -1.9279810000e+00  8.7340300000e-01 -7.2571900000e-01
-ENERGY -1.526523329052e+02
-FORCES  1.2050000000e-03  4.0500000000e-03  1.3144000000e-03  1.2741000000e-03 -3.2087000000e-03  9.1360000000e-04 -3.0971000000e-03 -4.2240000000e-04 -2.5037000000e-03 -4.2673000000e-03  1.6898000000e-03 -4.1700000000e-04  3.7200000000e-03  1.2556000000e-03 -8.8950000000e-04  1.1654000000e-03 -3.3643000000e-03  1.5822000000e-03
-
-JOB 65
-COORDS  1.8286310000e+00 -1.9613400000e-01 -7.7908200000e-01  1.4768330000e+00  6.8760000000e-01 -6.7192300000e-01  1.0696290000e+00 -7.2964700000e-01 -1.0146940000e+00 -1.7174380000e+00  2.1325400000e-01  7.5197900000e-01 -1.6874600000e+00 -6.2241800000e-01  1.2177970000e+00 -2.6195880000e+00  5.1502100000e-01  8.5825800000e-01
-ENERGY -1.526564233287e+02
-FORCES -6.0975000000e-03  2.2133000000e-03  1.1500000000e-05  2.9343000000e-03 -3.1557000000e-03 -1.0533000000e-03  3.9634000000e-03  8.8220000000e-04  5.3680000000e-04 -4.2987000000e-03 -1.9684000000e-03  3.3707000000e-03 -3.1320000000e-04  3.3964000000e-03 -2.5128000000e-03  3.8117000000e-03 -1.3678000000e-03 -3.5290000000e-04
-
-JOB 66
-COORDS -3.9622400000e-01  3.4285300000e-01  1.9090800000e+00 -5.1635800000e-01 -4.6816700000e-01  1.4150700000e+00  1.3553300000e-01  8.8041000000e-02  2.6630940000e+00  3.7675500000e-01 -2.9817200000e-01 -1.8578530000e+00 -3.5757800000e-01  9.6974000000e-02 -2.3277950000e+00  1.0539090000e+00 -4.1384600000e-01 -2.5244220000e+00
-ENERGY -1.526550428309e+02
-FORCES  2.4533000000e-03 -4.5977000000e-03 -5.7210000000e-04 -6.0820000000e-04  3.0907000000e-03  3.7879000000e-03 -2.0992000000e-03  1.0589000000e-03 -2.7312000000e-03  9.1600000000e-05  2.1762000000e-03 -4.8932000000e-03  2.9895000000e-03 -2.1290000000e-03  1.7453000000e-03 -2.8271000000e-03  4.0080000000e-04  2.6634000000e-03
-
-JOB 67
-COORDS  1.3899410000e+00 -3.8250400000e-01  1.3559090000e+00  1.3915240000e+00 -4.8800700000e-01  4.0454200000e-01  1.7717080000e+00 -1.1949880000e+00  1.6881050000e+00 -1.4029570000e+00  4.8727600000e-01 -1.2791200000e+00 -1.3282010000e+00 -4.4843900000e-01 -1.0918210000e+00 -1.6478650000e+00  5.2816600000e-01 -2.2035550000e+00
-ENERGY -1.526539548201e+02
-FORCES  1.9202000000e-03 -2.5718000000e-03 -2.7210000000e-03  7.7400000000e-05 -1.0122000000e-03  4.3350000000e-03 -1.8870000000e-03  3.2819000000e-03 -1.5188000000e-03 -2.1103000000e-03 -3.3342000000e-03 -2.6726000000e-03  7.7780000000e-04  3.8620000000e-03 -1.4232000000e-03  1.2219000000e-03 -2.2570000000e-04  4.0005000000e-03
-
-JOB 68
-COORDS  6.1892800000e-01  7.1772700000e-01  1.7637730000e+00  1.2191390000e+00  1.2192450000e+00  1.2119940000e+00  1.0751570000e+00 -1.0799400000e-01  1.9258580000e+00 -6.9530400000e-01 -7.6480500000e-01 -1.7414850000e+00 -1.0222560000e+00 -1.0823500000e-01 -1.1264640000e+00 -1.3634200000e-01 -2.7288900000e-01 -2.3429930000e+00
-ENERGY -1.526555378957e+02
-FORCES  5.1143000000e-03 -2.1566000000e-03 -7.1620000000e-04 -2.9985000000e-03 -1.8637000000e-03  1.7480000000e-03 -1.7164000000e-03  3.9106000000e-03 -3.1260000000e-04  2.7940000000e-04  4.8987000000e-03  9.4480000000e-04  1.1777000000e-03 -2.8462000000e-03 -4.1721000000e-03 -1.8564000000e-03 -1.9428000000e-03  2.5081000000e-03
-
-JOB 69
-COORDS  9.8484900000e-01 -2.1369200000e-01  1.7627210000e+00  6.1029100000e-01 -1.0265240000e+00  2.1021960000e+00  1.7341420000e+00 -4.9552000000e-01  1.2379690000e+00 -9.8991200000e-01  2.1591700000e-01 -1.7595260000e+00 -1.2257500000e+00  8.6941900000e-01 -2.4179690000e+00 -1.0637500000e+00  6.7869800000e-01 -9.2489300000e-01
-ENERGY -1.526561164023e+02
-FORCES  2.1708000000e-03 -5.1875000000e-03 -9.0670000000e-04  1.4808000000e-03  3.5038000000e-03 -1.1896000000e-03 -2.8873000000e-03  1.2847000000e-03  2.7178000000e-03 -1.0328000000e-03  4.6737000000e-03  1.6220000000e-03  9.8960000000e-04 -2.5759000000e-03  2.5807000000e-03 -7.2100000000e-04 -1.6988000000e-03 -4.8242000000e-03
-
-JOB 70
-COORDS  7.5220300000e-01 -1.1143340000e+00  1.6307310000e+00  1.2650560000e+00 -1.3494570000e+00  8.5747200000e-01  7.7658600000e-01 -1.5770600000e-01  1.6530980000e+00 -7.9845900000e-01  1.0289650000e+00 -1.5416570000e+00 -5.3758000000e-02  1.6292240000e+00 -1.5050300000e+00 -1.2258110000e+00  1.2273000000e+00 -2.3748830000e+00
-ENERGY -1.526539932056e+02
-FORCES  7.9600000000e-04  3.2121000000e-03 -4.2729000000e-03 -1.1834000000e-03  7.2910000000e-04  3.6233000000e-03  8.3400000000e-04 -3.6307000000e-03  5.6540000000e-04  2.7450000000e-04  3.4114000000e-03 -3.9432000000e-03 -2.6567000000e-03 -2.9436000000e-03  5.2980000000e-04  1.9356000000e-03 -7.7840000000e-04  3.4975000000e-03
-
-JOB 71
-COORDS  2.8813000000e-01  1.9035830000e+00  1.2687870000e+00  3.8013000000e-02  9.8889300000e-01  1.3992270000e+00  8.5292000000e-02  2.0791580000e+00  3.4995000000e-01 -2.4027400000e-01 -1.9135860000e+00 -1.1796840000e+00  3.0127400000e-01 -1.2966970000e+00 -1.6720300000e+00 -1.1389610000e+00 -1.6909080000e+00 -1.4226000000e+00
-ENERGY -1.526546010080e+02
-FORCES -1.8048000000e-03 -3.5727000000e-03 -2.7922000000e-03  9.2330000000e-04  4.6335000000e-03 -4.6680000000e-04  8.5180000000e-04 -6.6720000000e-04  3.3496000000e-03 -1.3060000000e-03  2.0830000000e-03 -4.1540000000e-03 -2.6388000000e-03 -2.0562000000e-03  2.6143000000e-03  3.9745000000e-03 -4.2040000000e-04  1.4491000000e-03
-
-JOB 72
-COORDS -3.1984300000e-01 -2.1767060000e+00  5.4636200000e-01 -1.2307660000e+00 -2.0486460000e+00  8.1103600000e-01 -3.4232900000e-01 -2.9413750000e+00 -2.8969000000e-02  3.4681000000e-01  2.1852940000e+00 -5.8989000000e-01  1.2297360000e+00  2.0209990000e+00 -2.5870900000e-01 -3.4008000000e-02  2.8004010000e+00  3.6889000000e-02
-ENERGY -1.526539841705e+02
-FORCES -4.1103000000e-03 -1.9837000000e-03 -1.8836000000e-03  3.6713000000e-03 -8.8130000000e-04 -6.9210000000e-04  1.7850000000e-04  2.9353000000e-03  2.4718000000e-03  2.3421000000e-03  8.7590000000e-04  4.2039000000e-03 -3.4184000000e-03  1.4277000000e-03 -1.5253000000e-03  1.3368000000e-03 -2.3739000000e-03 -2.5746000000e-03
-
-JOB 73
-COORDS  9.3037500000e-01 -1.8676720000e+00  1.0110930000e+00  1.7433340000e+00 -1.6652530000e+00  1.4740800000e+00  4.0687600000e-01 -2.3550350000e+00  1.6472200000e+00 -9.0576800000e-01  1.8285510000e+00 -1.0752020000e+00 -1.2183550000e+00  2.3472010000e+00 -3.3390400000e-01 -1.2870990000e+00  2.2537170000e+00 -1.8433510000e+00
-ENERGY -1.526529845491e+02
-FORCES  1.0989000000e-03 -7.8460000000e-04  4.1763000000e-03 -3.3038000000e-03 -9.4160000000e-04 -1.7855000000e-03  2.1240000000e-03  1.9641000000e-03 -2.5561000000e-03 -2.7650000000e-03  3.4615000000e-03  8.7900000000e-05  1.2437000000e-03 -1.9270000000e-03 -3.0531000000e-03  1.6023000000e-03 -1.7723000000e-03  3.1305000000e-03
-
-JOB 74
-COORDS  7.2866900000e-01  1.8781920000e+00 -1.1921940000e+00 -1.3216000000e-02  2.4503820000e+00 -9.9613900000e-01  1.4875440000e+00  2.3373510000e+00 -8.3231200000e-01 -7.0176400000e-01 -1.9277570000e+00  1.2232680000e+00 -6.9035800000e-01 -2.7628460000e+00  7.5558400000e-01 -1.1767570000e+00 -1.3337060000e+00  6.4213400000e-01
-ENERGY -1.526545253062e+02
-FORCES  7.7690000000e-04  4.3668000000e-03  2.5872000000e-03  2.7492000000e-03 -2.6667000000e-03 -8.3580000000e-04 -3.1898000000e-03 -1.6260000000e-03 -1.7203000000e-03 -1.2693000000e-03 -4.6190000000e-04 -4.9634000000e-03 -1.7670000000e-04  3.1434000000e-03  2.0547000000e-03  1.1098000000e-03 -2.7555000000e-03  2.8775000000e-03
-
-JOB 75
-COORDS -5.0413500000e-01 -2.0195050000e+00  1.2762450000e+00 -5.5366600000e-01 -1.1165860000e+00  9.6237500000e-01  3.9639500000e-01 -2.1169360000e+00  1.5857360000e+00  4.3488900000e-01  2.0066950000e+00 -1.2184860000e+00  6.2805000000e-02  1.2472800000e+00 -1.6668980000e+00  1.1520040000e+00  2.2921140000e+00 -1.7846250000e+00
-ENERGY -1.526549380766e+02
-FORCES  3.5648000000e-03  3.7842000000e-03  6.1130000000e-04 -7.4800000000e-05 -4.3508000000e-03  6.6150000000e-04 -3.6372000000e-03  9.3800000000e-05 -1.3523000000e-03  1.5465000000e-03 -1.0927000000e-03 -5.0115000000e-03  1.6026000000e-03  2.8102000000e-03  2.7208000000e-03 -3.0018000000e-03 -1.2447000000e-03  2.3702000000e-03
-
-JOB 76
-COORDS -5.1205300000e-01 -1.9595570000e+00  1.4906740000e+00 -1.5517100000e-01 -1.2429870000e+00  9.6589400000e-01 -6.6232600000e-01 -2.6656300000e+00  8.6209500000e-01  4.9738600000e-01  1.9977270000e+00 -1.3729080000e+00 -2.3043300000e-01  1.5178970000e+00 -1.7682250000e+00  1.2555350000e+00  1.7697500000e+00 -1.9109290000e+00
-ENERGY -1.526543739979e+02
-FORCES  1.0989000000e-03  4.8340000000e-04 -4.3367000000e-03 -1.8053000000e-03 -3.7541000000e-03  1.9167000000e-03  5.7050000000e-04  2.9393000000e-03  2.3731000000e-03  1.6790000000e-04 -1.6452000000e-03 -4.5299000000e-03  3.2784000000e-03  1.3650000000e-03  2.1266000000e-03 -3.3104000000e-03  6.1160000000e-04  2.4502000000e-03
-
-JOB 77
-COORDS  1.0720720000e+00 -1.4189280000e+00 -1.8290360000e+00  9.0610800000e-01 -1.9022710000e+00 -2.6383980000e+00  1.5119290000e+00 -2.0495050000e+00 -1.2588330000e+00 -1.0373160000e+00  1.4853530000e+00  1.7952890000e+00 -1.8967870000e+00  1.9055810000e+00  1.8260870000e+00 -1.0095800000e+00  9.3792200000e-01  2.5800070000e+00
-ENERGY -1.526531955470e+02
-FORCES  1.0476000000e-03 -4.2937000000e-03 -6.7320000000e-04  6.3930000000e-04  2.0033000000e-03  3.2761000000e-03 -1.7452000000e-03  2.4139000000e-03 -2.3989000000e-03 -3.3913000000e-03 -7.2150000000e-04  2.8954000000e-03  3.5013000000e-03 -1.6385000000e-03 -2.2800000000e-05 -5.1700000000e-05  2.2364000000e-03 -3.0767000000e-03
-
-JOB 78
-COORDS -9.7916500000e-01  1.7959800000e-01 -2.3765440000e+00 -1.4572170000e+00  9.0924500000e-01 -1.9824470000e+00 -5.0185000000e-01  5.7226800000e-01 -3.1074430000e+00  9.4873000000e-01 -2.6655900000e-01  2.3458700000e+00  8.9669200000e-01  6.1008200000e-01  2.7266890000e+00  1.5398230000e+00 -7.4576700000e-01  2.9265590000e+00
-ENERGY -1.526533528358e+02
-FORCES  2.7200000000e-04  4.4707000000e-03 -7.5620000000e-04  1.7617000000e-03 -2.7934000000e-03 -1.8901000000e-03 -1.9864000000e-03 -1.5984000000e-03  2.8554000000e-03  2.2467000000e-03  1.3829000000e-03  3.7410000000e-03  1.2100000000e-04 -3.4735000000e-03 -1.6139000000e-03 -2.4150000000e-03  2.0117000000e-03 -2.3362000000e-03
-
-JOB 79
-COORDS -7.6795900000e-01 -1.0782550000e+00 -3.0190270000e+00 -3.4735000000e-02 -1.3203950000e+00 -2.4533570000e+00 -1.4811230000e+00 -8.7509900000e-01 -2.4137520000e+00  7.6875000000e-01  1.1534980000e+00  2.9655650000e+00  1.2677350000e+00  4.8660900000e-01  3.4372690000e+00  2.2560600000e-01  6.5800600000e-01  2.3526100000e+00
-ENERGY -1.526536298943e+02
-FORCES  8.5200000000e-05 -7.1100000000e-05  4.4915000000e-03 -3.1064000000e-03  9.7290000000e-04 -2.0986000000e-03  3.0344000000e-03 -8.9180000000e-04 -2.2803000000e-03 -1.0720000000e-04 -4.6139000000e-03 -2.8380000000e-04 -2.1035000000e-03  2.7058000000e-03 -2.0726000000e-03  2.1976000000e-03  1.8981000000e-03  2.2437000000e-03
-
-JOB 80
-COORDS  9.7654900000e-01  1.1783130000e+00 -2.9396540000e+00  8.3544800000e-01  1.9018570000e+00 -2.3290750000e+00  7.7040100000e-01  1.5458800000e+00 -3.7990900000e+00 -9.3287800000e-01 -1.2108780000e+00  2.9041710000e+00 -1.6834160000e+00 -1.8048090000e+00  2.9172970000e+00 -6.2771100000e-01 -1.1896940000e+00  3.8111740000e+00
-ENERGY -1.526539264751e+02
-FORCES -1.5191000000e-03  4.3678000000e-03 -6.4950000000e-04  6.6190000000e-04 -2.7920000000e-03 -2.7400000000e-03  8.4960000000e-04 -1.5194000000e-03  3.4364000000e-03 -1.7494000000e-03 -2.5167000000e-03  3.5962000000e-03  3.0183000000e-03  2.4745000000e-03  3.9500000000e-05 -1.2612000000e-03 -1.4100000000e-05 -3.6827000000e-03
-
-JOB 81
-COORDS -4.6631900000e-01  3.1853380000e+00  8.7433600000e-01 -1.0874480000e+00  3.7059640000e+00  1.3836280000e+00 -7.4680200000e-01  3.2979390000e+00 -3.3894000000e-02  4.6452200000e-01 -3.2427290000e+00 -8.8998700000e-01  1.3439670000e+00 -3.6206230000e+00 -8.9216200000e-01  5.1260400000e-01 -2.5265920000e+00 -2.5668800000e-01
-ENERGY -1.526544992266e+02
-FORCES -3.7740000000e-03  2.7389000000e-03 -1.6622000000e-03  2.5527000000e-03 -2.1321000000e-03 -2.0714000000e-03  1.1945000000e-03 -4.9380000000e-04  3.7561000000e-03  3.7897000000e-03  1.5554000000e-03  2.7084000000e-03 -3.5593000000e-03  1.4593000000e-03 -4.1300000000e-05 -2.0370000000e-04 -3.1277000000e-03 -2.6895000000e-03
-
-JOB 82
-COORDS -9.5928200000e-01 -3.6734350000e+00 -1.3799890000e+00 -4.4325400000e-01 -4.3881000000e+00 -1.7530850000e+00 -5.5422900000e-01 -3.5035260000e+00 -5.2952200000e-01  9.0948700000e-01  3.6395710000e+00  1.3654800000e+00  9.8749400000e-01  4.3334160000e+00  2.0202510000e+00  8.4378600000e-01  4.1035360000e+00  5.3082300000e-01
-ENERGY -1.526541599943e+02
-FORCES  3.8057000000e-03 -2.0514000000e-03  2.0551000000e-03 -2.1172000000e-03  2.8716000000e-03  1.4769000000e-03 -1.6777000000e-03 -8.5180000000e-04 -3.5144000000e-03 -4.1500000000e-05  4.7350000000e-03 -8.1740000000e-04 -2.9210000000e-04 -2.8435000000e-03 -2.6462000000e-03  3.2280000000e-04 -1.8599000000e-03  3.4461000000e-03
-
-JOB 83
-COORDS  1.0330100000e+00  4.3792490000e+00  3.0271000000e-01  8.9277100000e-01  5.0868290000e+00  9.3191200000e-01  1.9229980000e+00  4.0741910000e+00  4.7904100000e-01 -1.0531740000e+00 -4.3568380000e+00 -3.1326100000e-01 -5.9993500000e-01 -5.1546770000e+00 -5.8576900000e-01 -1.9197100000e+00 -4.4242130000e+00 -7.1427000000e-01
-ENERGY -1.526540024873e+02
-FORCES  3.0463000000e-03  1.4836000000e-03  3.3287000000e-03  5.6690000000e-04 -2.8398000000e-03 -2.5822000000e-03 -3.5995000000e-03  1.3385000000e-03 -7.3610000000e-04 -1.7244000000e-03 -3.4280000000e-03 -2.7974000000e-03 -1.8269000000e-03  3.2365000000e-03  1.1336000000e-03  3.5376000000e-03  2.0920000000e-04  1.6535000000e-03
-
-JOB 84
-COORDS  5.5599900000e-01  1.8105720000e+00  4.3885760000e+00 -1.0169200000e-01  1.5172570000e+00  5.0191640000e+00  2.8859000000e-01  1.4124390000e+00  3.5601960000e+00 -5.1812200000e-01 -1.7932700000e+00 -4.3290050000e+00 -3.0329500000e-01 -2.1863160000e+00 -5.1749330000e+00 -3.0300600000e-01 -8.6642300000e-01 -4.4334640000e+00
-ENERGY -1.526541925443e+02
-FORCES -3.7809000000e-03 -2.8998000000e-03 -8.3240000000e-04  2.6806000000e-03  1.2255000000e-03 -2.5431000000e-03  1.1011000000e-03  1.6896000000e-03  3.3910000000e-03  1.7843000000e-03  2.1486000000e-03 -3.9548000000e-03 -8.8550000000e-04  1.6105000000e-03  3.4576000000e-03 -8.9960000000e-04 -3.7745000000e-03  4.8170000000e-04
-
-JOB 85
-COORDS  2.8739600000e-01  4.8299120000e+00 -6.9168000000e-01  9.7876700000e-01  4.1801890000e+00 -5.6480100000e-01 -4.5919200000e-01  4.3258270000e+00 -1.0153080000e+00 -3.1382400000e-01 -4.7230050000e+00  6.6503500000e-01  4.8607000000e-02 -4.6612920000e+00  1.5488150000e+00 -1.7263200000e-01 -5.6349850000e+00  4.1089100000e-01
-ENERGY -1.526542237984e+02
-FORCES -2.5910000000e-04 -4.7904000000e-03 -8.1920000000e-04 -2.7743000000e-03  2.6991000000e-03 -4.9670000000e-04  3.0399000000e-03  2.1158000000e-03  1.3164000000e-03  2.0195000000e-03 -3.5637000000e-03  2.5903000000e-03 -1.4623000000e-03 -2.0090000000e-04 -3.6251000000e-03 -5.6370000000e-04  3.7400000000e-03  1.0344000000e-03
-
-JOB 86
-COORDS -8.1250000000e-03 -4.1857270000e+00  3.2694580000e+00  3.0455100000e-01 -4.4702440000e+00  2.4106710000e+00  6.5367500000e-01 -4.5040910000e+00  3.8833770000e+00  3.3759000000e-02  4.2086080000e+00 -3.2470620000e+00 -6.3414600000e-01  3.5448020000e+00 -3.0753160000e+00 -4.5556600000e-01  4.9608340000e+00 -3.5801500000e+00
-ENERGY -1.526541170700e+02
-FORCES  4.0237000000e-03 -2.4368000000e-03 -9.8870000000e-04 -1.3070000000e-03  1.1507000000e-03  3.4941000000e-03 -2.7135000000e-03  1.2824000000e-03 -2.5004000000e-03 -4.7461000000e-03  3.5950000000e-04 -5.9920000000e-04  2.7385000000e-03  2.7065000000e-03 -7.4390000000e-04  2.0045000000e-03 -3.0623000000e-03  1.3381000000e-03
-
-JOB 87
-COORDS -3.9556320000e+00 -2.4231300000e+00 -3.0758770000e+00 -3.3124560000e+00 -2.2891000000e+00 -3.7720050000e+00 -4.0364810000e+00 -3.3741740000e+00 -3.0036960000e+00  3.9439200000e+00  2.4342110000e+00  3.1638850000e+00  4.1115000000e+00  3.3459130000e+00  2.9252430000e+00  3.4409990000e+00  2.0824210000e+00  2.4293470000e+00
-ENERGY -1.526540976039e+02
-FORCES  2.2445000000e-03 -3.3800000000e-03 -2.5512000000e-03 -2.5968000000e-03 -5.1540000000e-04  2.8552000000e-03  3.4520000000e-04  3.8942000000e-03 -3.0050000000e-04 -1.4312000000e-03  2.2905000000e-03 -3.9556000000e-03 -6.5790000000e-04 -3.7184000000e-03  9.6880000000e-04  2.0963000000e-03  1.4291000000e-03  2.9833000000e-03
-
-JOB 88
-COORDS  1.3607800000e-01  4.5281900000e+00  3.2415430000e+00 -7.4537500000e-01  4.8362030000e+00  3.0308310000e+00  5.0641600000e-01  5.2184960000e+00  3.7915970000e+00 -6.4825000000e-02 -4.6048640000e+00 -3.2203420000e+00 -8.5268300000e-01 -4.1096180000e+00 -2.9961930000e+00 -1.2376500000e-01 -4.7340320000e+00 -4.1669540000e+00
-ENERGY -1.526540287131e+02
-FORCES -2.0525000000e-03  4.0640000000e-03  1.4042000000e-03  3.5831000000e-03 -1.2618000000e-03  8.4450000000e-04 -1.5241000000e-03 -2.8096000000e-03 -2.2498000000e-03 -3.4307000000e-03  1.5551000000e-03 -2.9018000000e-03  3.1893000000e-03 -2.0559000000e-03 -9.4650000000e-04  2.3500000000e-04  5.0830000000e-04  3.8495000000e-03
-
-JOB 89
-COORDS -8.8751700000e-01  1.9865390000e+00  5.3403980000e+00 -1.7435970000e+00  1.7284610000e+00  4.9987040000e+00 -1.0550650000e+00  2.7980930000e+00  5.8195000000e+00  9.0860600000e-01 -2.0590050000e+00 -5.3900250000e+00  1.6521950000e+00 -2.2032790000e+00 -4.8047960000e+00  6.5234200000e-01 -1.1502290000e+00 -5.2329050000e+00
-ENERGY -1.526541290917e+02
-FORCES -4.1983000000e-03  2.2471000000e-03  6.1890000000e-04  3.5090000000e-03  1.0601000000e-03  1.3636000000e-03  6.9030000000e-04 -3.3062000000e-03 -1.9743000000e-03  2.0120000000e-03  3.1163000000e-03  3.0638000000e-03 -3.0368000000e-03  5.8390000000e-04 -2.4102000000e-03  1.0237000000e-03 -3.7012000000e-03 -6.6180000000e-04
-
-JOB 0
-COORDS -3.9237800000e-01 -5.5277800000e-01 -1.0713120000e+00 -1.1923690000e+00 -2.9504000000e-02 -1.0220070000e+00  1.3066600000e-01 -1.2807300000e-01 -1.7512250000e+00  3.7921400000e-01  4.7055300000e-01  1.1560900000e+00  2.8742100000e-01  2.9034900000e-01  2.2049800000e-01  1.0710690000e+00  1.1301040000e+00  1.2067040000e+00
-ENERGY -1.526537825208e+02
-FORCES -8.6370000000e-04  4.0950000000e-03  6.7951000000e-03  7.5717000000e-03 -1.3136000000e-03  1.2109000000e-03 -1.2041000000e-03  2.4480000000e-04  8.5783000000e-03 -4.5509000000e-03 -9.8891000000e-03 -1.6786400000e-02  1.5483000000e-03  9.8291000000e-03  4.4704000000e-03 -2.5014000000e-03 -2.9662000000e-03 -4.2682000000e-03
-
-JOB 1
-COORDS  6.2959900000e-01 -7.0565000000e-02  1.0961450000e+00  8.7955600000e-01 -9.8738000000e-01  9.8124500000e-01  2.2674900000e-01 -3.8584000000e-02  1.9638560000e+00 -5.9924800000e-01  8.5463000000e-02 -1.1928410000e+00 -1.3126200000e-01  1.6905200000e-01 -3.6203800000e-01 -1.4351700000e+00  5.2703100000e-01 -1.0428980000e+00
-ENERGY -1.526579220737e+02
-FORCES -7.6627000000e-03 -2.1389000000e-03 -7.6199000000e-03 -2.4836000000e-03  5.8699000000e-03  4.5710000000e-04  2.2257000000e-03 -1.3356000000e-03 -4.2771000000e-03  7.3682000000e-03  1.7191000000e-03  1.8853700000e-02 -1.8498000000e-03 -2.9883000000e-03 -8.4889000000e-03  2.4021000000e-03 -1.1263000000e-03  1.0750000000e-03
-
-JOB 2
-COORDS  5.4911600000e-01 -1.2056530000e+00  1.3145800000e-01 -1.1126900000e-01 -1.8885930000e+00  1.4343000000e-02  6.6939000000e-02 -3.8527900000e-01  2.7903000000e-02 -4.7777800000e-01  1.1280190000e+00 -1.2893600000e-01  8.2126000000e-02  1.8086130000e+00 -5.0247500000e-01 -1.1141350000e+00  1.6059220000e+00  4.0293800000e-01
-ENERGY -1.526578099377e+02
-FORCES -9.1731000000e-03  1.7955000000e-02 -2.2656000000e-03  1.9270000000e-04  3.6324000000e-03  5.8720000000e-04  2.6907000000e-03 -6.8003000000e-03 -4.1420000000e-04  7.0315000000e-03 -1.1837700000e-02  2.8094000000e-03 -4.3180000000e-03 -2.0179000000e-03  2.8896000000e-03  3.5763000000e-03 -9.3150000000e-04 -3.6064000000e-03
-
-JOB 3
-COORDS  6.0676600000e-01  2.3753100000e-01 -1.2164880000e+00  9.3762600000e-01 -6.3546800000e-01 -1.0052160000e+00  3.3531000000e-02  4.6088100000e-01 -4.8317500000e-01 -5.5640700000e-01 -1.5418800000e-01  1.1297200000e+00 -1.4949910000e+00 -3.1598900000e-01  1.0342640000e+00 -2.7518300000e-01 -7.6674900000e-01  1.8093630000e+00
-ENERGY -1.526559042477e+02
-FORCES -5.6695000000e-03 -5.8619000000e-03  1.7511200000e-02  9.9720000000e-04  8.8300000000e-04 -2.2864000000e-03 -2.8680000000e-03  3.6696000000e-03 -5.1093000000e-03  4.5042000000e-03 -1.6132000000e-03 -5.8956000000e-03  5.6480000000e-03  1.0378000000e-03 -6.0090000000e-04 -2.6119000000e-03  1.8847000000e-03 -3.6190000000e-03
-
-JOB 4
-COORDS -6.2393400000e-01 -1.1952970000e+00  1.6270600000e-01 -3.7377300000e-01 -3.1278800000e-01 -1.1084100000e-01 -1.5471060000e+00 -1.2689210000e+00 -7.9297000000e-02  6.7762100000e-01  1.0831350000e+00 -1.6004900000e-01  1.3304650000e+00  1.6628840000e+00  2.3227400000e-01 -1.4684300000e-01  1.5633330000e+00 -8.3234000000e-02
-ENERGY -1.526529965195e+02
-FORCES  8.0220000000e-03  9.0431000000e-03 -1.9521000000e-03 -9.4634000000e-03  1.6724000000e-03 -6.9060000000e-04  3.8393000000e-03  3.6361000000e-03  5.7510000000e-04 -8.0310000000e-04 -4.7955000000e-03  5.3571000000e-03 -3.9894000000e-03 -1.0280000000e-03 -2.4694000000e-03  2.3945000000e-03 -8.5280000000e-03 -8.2010000000e-04
-
-JOB 5
-COORDS  8.6617000000e-02 -7.5206800000e-01  1.0541400000e+00 -2.9185800000e-01 -1.4482300000e-01  1.6899400000e+00 -3.7912100000e-01 -1.5751910000e+00  1.2017510000e+00 -2.8035000000e-02  7.7123900000e-01 -1.1693350000e+00  5.4131000000e-02 -2.4329000000e-02 -6.4345300000e-01 -2.6388200000e-01  1.4521210000e+00 -5.3924900000e-01
-ENERGY -1.526571263740e+02
-FORCES -3.4023000000e-03  4.6161000000e-03 -1.6157000000e-03  1.4515000000e-03 -2.8239000000e-03 -3.6648000000e-03  1.9819000000e-03  4.9067000000e-03 -1.4477000000e-03  6.4360000000e-04 -8.0538000000e-03  1.5469100000e-02 -7.7520000000e-04  2.0633000000e-03 -7.5847000000e-03  1.0060000000e-04 -7.0850000000e-04 -1.1562000000e-03
-
-JOB 6
-COORDS  7.2520000000e-02  1.2915500000e+00 -2.0016000000e-02  6.2130900000e-01  1.8472330000e+00 -5.7344100000e-01 -7.3900100000e-01  1.7874700000e+00  8.8285000000e-02 -1.8048000000e-02 -1.3943020000e+00  2.5404000000e-02 -8.8598700000e-01 -1.5507790000e+00  3.9746400000e-01  8.5266000000e-02 -4.4298900000e-01  4.9092000000e-02
-ENERGY -1.526593114316e+02
-FORCES -1.1940000000e-03 -5.5673000000e-03 -2.2497000000e-03 -3.8870000000e-03 -1.4958000000e-03  2.9849000000e-03  4.3478000000e-03 -1.8112000000e-03 -9.7010000000e-04 -1.1138000000e-03  1.5908700000e-02  5.3560000000e-04  1.9124000000e-03  1.4969000000e-03 -1.0214000000e-03 -6.5300000000e-05 -8.5314000000e-03  7.2070000000e-04
-
-JOB 7
-COORDS  7.6805400000e-01  8.9229700000e-01 -7.5719200000e-01  3.5818700000e-01  2.5283400000e-01 -1.7467500000e-01  1.5217200000e-01  1.6246620000e+00 -7.8092500000e-01 -6.6080400000e-01 -8.5680800000e-01  7.4544400000e-01 -1.5951160000e+00 -6.5311100000e-01  7.0301700000e-01 -5.9618400000e-01 -1.7554650000e+00  4.2222500000e-01
-ENERGY -1.526595788960e+02
-FORCES -9.9664000000e-03 -8.6702000000e-03  9.9894000000e-03  5.6426000000e-03  5.3753000000e-03 -6.0293000000e-03  7.7570000000e-04 -2.3979000000e-03  2.7500000000e-04 -4.3480000000e-04  1.6539000000e-03 -5.4345000000e-03  4.8982000000e-03 -1.1752000000e-03 -2.5540000000e-04 -9.1530000000e-04  5.2141000000e-03  1.4549000000e-03
-
-JOB 8
-COORDS -7.2657100000e-01  4.1191400000e-01  1.1497810000e+00 -8.2592000000e-01 -5.2848400000e-01  1.2981450000e+00 -3.8540000000e-01  4.7945200000e-01  2.5800000000e-01  7.0120200000e-01 -3.2523800000e-01 -1.0504900000e+00  9.3168100000e-01  3.3029000000e-02 -1.9076700000e+00  6.7048300000e-01 -1.2722190000e+00 -1.1865600000e+00
-ENERGY -1.526578050607e+02
-FORCES  7.8348000000e-03 -6.4672000000e-03 -1.1651700000e-02 -1.6450000000e-04  1.7555000000e-03  2.7820000000e-04 -4.4711000000e-03  4.0448000000e-03  4.5531000000e-03 -1.8131000000e-03 -1.9648000000e-03  2.0174000000e-03 -1.5268000000e-03 -2.0927000000e-03  4.4949000000e-03  1.4070000000e-04  4.7244000000e-03  3.0810000000e-04
-
-JOB 9
-COORDS  1.2539800000e+00 -1.8508800000e-01 -3.8953300000e-01  1.6368910000e+00 -9.1709900000e-01  9.3966000000e-02  1.7322350000e+00  5.8383300000e-01 -7.9268000000e-02 -1.3433340000e+00  2.1872300000e-01  3.9460500000e-01 -4.0015000000e-01  1.0436900000e-01  2.7816500000e-01 -1.7337790000e+00 -2.2794400000e-01 -3.5657500000e-01
-ENERGY -1.526601150103e+02
-FORCES  3.7470000000e-04  4.4770000000e-04  1.9653000000e-03 -3.0928000000e-03  4.6927000000e-03 -1.9400000000e-03 -4.1722000000e-03 -4.8228000000e-03 -3.2130000000e-04  1.3852300000e-02 -3.7983000000e-03 -8.0078000000e-03 -7.4066000000e-03  2.6473000000e-03  6.0352000000e-03  4.4460000000e-04  8.3340000000e-04  2.2686000000e-03
-
-JOB 10
-COORDS -6.8950000000e-01  8.4061600000e-01 -7.4689000000e-01 -5.0550100000e-01  1.6196090000e+00 -1.2718150000e+00 -1.2328460000e+00  2.9252300000e-01 -1.3131070000e+00  7.7186600000e-01 -8.6418600000e-01  7.9591800000e-01  1.5677800000e-01 -1.2960740000e+00  1.3886840000e+00  2.3442100000e-01 -2.4523000000e-01  3.0167300000e-01
-ENERGY -1.526603512489e+02
-FORCES  3.9401000000e-03 -1.5242000000e-03 -5.7520000000e-04 -2.5868000000e-03 -4.1726000000e-03  1.1196000000e-03  3.0231000000e-03  2.9169000000e-03  3.3020000000e-03 -7.7141000000e-03  9.3887000000e-03 -5.7612000000e-03  6.8230000000e-04  1.5852000000e-03 -2.8680000000e-03  2.6554000000e-03 -8.1940000000e-03  4.7828000000e-03
-
-JOB 11
-COORDS -9.2487100000e-01 -1.0592410000e+00  4.6672000000e-02 -1.5172000000e+00 -8.3145300000e-01  7.6325400000e-01 -2.0235700000e-01 -4.3632900000e-01  1.2532000000e-01  8.8656800000e-01  9.5099000000e-01 -7.9395000000e-02  9.7423800000e-01  1.4277060000e+00 -9.0479600000e-01  1.3067870000e+00  1.5153950000e+00  5.6952300000e-01
-ENERGY -1.526601026613e+02
-FORCES  8.1522000000e-03  1.1517700000e-02  1.3232000000e-03  2.1664000000e-03 -1.0550000000e-04 -1.5825000000e-03 -5.1513000000e-03 -6.8293000000e-03  6.0920000000e-04 -3.8026000000e-03 -2.0905000000e-03 -1.5035000000e-03  9.2720000000e-04 -7.9590000000e-04  5.0568000000e-03 -2.2919000000e-03 -1.6965000000e-03 -3.9032000000e-03
-
-JOB 12
-COORDS  6.2327800000e-01  9.8440000000e-01 -8.2222200000e-01  1.4281580000e+00  5.0362300000e-01 -6.2921000000e-01 -5.7620000000e-02  5.1627000000e-01 -3.3904100000e-01 -6.5552800000e-01 -8.8990700000e-01  7.3107600000e-01 -3.3304500000e-01 -5.8948400000e-01  1.5807720000e+00 -5.8381300000e-01 -1.8435940000e+00  7.7069900000e-01
-ENERGY -1.526583059062e+02
-FORCES -4.5827000000e-03 -1.2693300000e-02  6.6461000000e-03 -8.8070000000e-04  2.0525000000e-03 -4.1670000000e-04  2.1106000000e-03  7.6408000000e-03 -4.8570000000e-04  3.4725000000e-03 -4.7500000000e-04 -1.5987000000e-03 -5.4900000000e-04 -1.1329000000e-03 -5.7251000000e-03  4.2920000000e-04  4.6079000000e-03  1.5800000000e-03
-
-JOB 13
-COORDS -1.6327700000e-01 -2.6205100000e-01 -1.3939010000e+00 -1.3817200000e-01  1.1433300000e-01 -5.1416400000e-01 -7.7276900000e-01 -9.9673900000e-01 -1.3233000000e+00  2.0775300000e-01  2.7184600000e-01  1.2667490000e+00  1.9053700000e-01 -3.7964600000e-01  1.9678140000e+00  4.9783000000e-02  1.1054630000e+00  1.7098740000e+00
-ENERGY -1.526594224032e+02
-FORCES  1.4770000000e-04  5.6210000000e-04  1.4102100000e-02 -1.7842000000e-03  1.1748000000e-03 -8.3094000000e-03  1.8331000000e-03  1.5500000000e-03 -7.5000000000e-06 -3.9100000000e-04 -2.8622000000e-03 -1.4285000000e-03 -3.3620000000e-04  4.3086000000e-03 -2.1293000000e-03  5.3060000000e-04 -4.7333000000e-03 -2.2274000000e-03
-
-JOB 14
-COORDS  1.0886520000e+00  3.1160000000e-03  7.5210600000e-01  2.0217810000e+00  2.1397100000e-01  7.1981900000e-01  1.0442610000e+00 -8.1379200000e-01  1.2490180000e+00 -1.1823250000e+00  7.7675000000e-02 -8.0960100000e-01 -3.3035300000e-01  2.5121100000e-01 -4.0927500000e-01 -1.3170400000e+00 -8.6232400000e-01 -6.8924700000e-01
-ENERGY -1.526593117555e+02
-FORCES -1.2426000000e-03 -2.1069000000e-03 -8.0110000000e-04 -4.4756000000e-03 -1.9719000000e-03  9.1730000000e-04  9.2990000000e-04  3.6900000000e-03 -2.9999000000e-03  1.1490400000e-02 -2.3427000000e-03  7.2990000000e-03 -6.8306000000e-03  6.0970000000e-04 -4.6882000000e-03  1.2840000000e-04  2.1218000000e-03  2.7290000000e-04
-
-JOB 15
-COORDS  9.0294500000e-01  3.2543000000e-02  9.9117400000e-01  3.6009800000e-01  4.6203300000e-01  1.6523000000e+00  1.7010230000e+00  5.5989200000e-01  9.5642600000e-01 -9.1187300000e-01 -1.2365100000e-01 -1.0843720000e+00 -3.9670600000e-01 -1.6097900000e-01 -2.7849300000e-01 -1.5677250000e+00  5.5360300000e-01 -9.1879200000e-01
-ENERGY -1.526583999130e+02
-FORCES  1.4568000000e-03  3.9574000000e-03 -3.0168000000e-03  9.4260000000e-04 -1.9070000000e-03 -6.1809000000e-03 -4.0488000000e-03 -2.1702000000e-03  2.2620000000e-03  8.5433000000e-03  1.8719000000e-03  9.5728000000e-03 -9.6934000000e-03  3.0000000000e-05 -3.6787000000e-03  2.7996000000e-03 -1.7821000000e-03  1.0416000000e-03
-
-JOB 16
-COORDS  5.6451000000e-02  1.3545940000e+00 -4.5360100000e-01  1.4210100000e-01  4.2798000000e-01 -2.2936500000e-01  9.2429000000e-01  1.6062980000e+00 -7.6940500000e-01 -1.0316300000e-01 -1.2568640000e+00  4.7260400000e-01 -9.0076700000e-01 -1.7228880000e+00  2.2184400000e-01  5.8023800000e-01 -1.9269720000e+00  4.6032000000e-01
-ENERGY -1.526608268328e+02
-FORCES  1.3890000000e-03 -1.1164000000e-02  3.8221000000e-03  1.0515000000e-03  9.6451000000e-03 -4.4553000000e-03 -2.1413000000e-03 -2.1929000000e-03  1.3225000000e-03 -1.4730000000e-03 -7.9220000000e-04 -1.6099000000e-03  4.8675000000e-03  1.3056000000e-03  1.3812000000e-03 -3.6937000000e-03  3.1983000000e-03 -4.6070000000e-04
-
-JOB 17
-COORDS -3.6621500000e-01  1.2332770000e+00 -6.4746500000e-01 -1.8182500000e-01  4.5279800000e-01 -1.2488900000e-01 -5.6936000000e-02  1.0124450000e+00 -1.5259930000e+00  3.8876400000e-01 -1.1366810000e+00  6.2828300000e-01  1.7085500000e-01 -1.0777870000e+00  1.5584870000e+00 -1.7048500000e-01 -1.8382660000e+00  2.9474000000e-01
-ENERGY -1.526605748617e+02
-FORCES  6.2102000000e-03 -1.2445900000e-02  3.8852000000e-03 -5.0785000000e-03  8.6151000000e-03 -2.9255000000e-03 -1.4286000000e-03  2.5170000000e-04  2.1317000000e-03 -2.4858000000e-03 -1.4273000000e-03  1.2263000000e-03  1.0110000000e-04  3.8570000000e-04 -5.9227000000e-03  2.6816000000e-03  4.6206000000e-03  1.6049000000e-03
-
-JOB 18
-COORDS -3.6231200000e-01  7.3460600000e-01  1.0890320000e+00  2.6048300000e-01  1.3709440000e+00  1.4403600000e+00 -3.2768400000e-01  8.7100000000e-04  1.7027630000e+00  3.7788700000e-01 -7.7495900000e-01 -1.1525500000e+00 -2.7772300000e-01 -6.1451600000e-01 -1.8312730000e+00  1.2338200000e-01 -1.9853600000e-01 -4.3199800000e-01
-ENERGY -1.526618256762e+02
-FORCES  2.9009000000e-03 -6.6170000000e-04  2.6017000000e-03 -3.1808000000e-03 -3.8494000000e-03 -1.2247000000e-03  8.0260000000e-04  3.9910000000e-03 -4.5748000000e-03 -5.2651000000e-03  8.6341000000e-03  7.6798000000e-03  1.6701000000e-03 -6.2100000000e-05  2.3915000000e-03  3.0724000000e-03 -8.0520000000e-03 -6.8734000000e-03
-
-JOB 19
-COORDS -1.4290500000e+00  1.5000500000e-01  1.7751400000e-01 -4.7443500000e-01  7.9988000000e-02  1.8384800000e-01 -1.6822800000e+00 -1.0202400000e-01 -7.1051000000e-01  1.3402850000e+00 -8.2304000000e-02 -1.3828300000e-01  1.6035800000e+00 -4.2867600000e-01  7.1432100000e-01  1.8770890000e+00 -5.6265700000e-01 -7.6862800000e-01
-ENERGY -1.526595772762e+02
-FORCES  1.2412400000e-02 -1.3718000000e-03 -6.0031000000e-03 -7.1114000000e-03  9.5000000000e-05  5.9675000000e-03  5.8000000000e-05  5.0290000000e-04  2.2446000000e-03 -3.2480000000e-04 -3.0436000000e-03 -1.0858000000e-03 -3.3736000000e-03  1.6862000000e-03 -4.9661000000e-03 -1.6606000000e-03  2.1314000000e-03  3.8430000000e-03
-
-JOB 20
-COORDS -5.0337900000e-01  1.3163420000e+00  2.9741800000e-01 -7.9757200000e-01  1.2121780000e+00  1.2023110000e+00 -1.8766500000e-01  4.4830700000e-01  4.6279000000e-02  4.4780000000e-01 -1.2518810000e+00 -3.0173900000e-01  1.3275430000e+00 -1.3993020000e+00  4.5464000000e-02  5.5252100000e-01 -1.3059460000e+00 -1.2516560000e+00
-ENERGY -1.526614008640e+02
-FORCES  2.9227000000e-03 -1.3285700000e-02 -7.1900000000e-05  1.3950000000e-03  1.4150000000e-04 -2.2846000000e-03 -2.8394000000e-03  1.0298100000e-02  3.7850000000e-04  3.2859000000e-03  6.4380000000e-04 -1.4130000000e-03 -4.6661000000e-03  8.5240000000e-04 -2.1859000000e-03 -9.8100000000e-05  1.3499000000e-03  5.5769000000e-03
-
-JOB 21
-COORDS -1.3270400000e+00 -1.7292100000e-01 -1.4198000000e-01 -2.0453430000e+00  2.5101900000e-01  3.2764500000e-01 -1.6636950000e+00 -1.0415550000e+00 -3.6191400000e-01  1.4235280000e+00  1.6109800000e-01  1.6056500000e-01  4.7582200000e-01  1.6522200000e-01  2.9498500000e-01  1.5741130000e+00  8.3014000000e-01 -5.0722200000e-01
-ENERGY -1.526607413525e+02
-FORCES  2.1390000000e-04 -3.4173000000e-03 -1.7610000000e-04  3.8704000000e-03 -2.4073000000e-03 -2.3107000000e-03 -1.9410000000e-04  4.8885000000e-03  1.3983000000e-03 -1.2191500000e-02  4.7350000000e-04 -3.4802000000e-03  8.5586000000e-03  2.1460000000e-03  2.6093000000e-03 -2.5740000000e-04 -1.6833000000e-03  1.9593000000e-03
-
-JOB 22
-COORDS -6.0720300000e-01 -6.8928000000e-01  1.0268400000e+00  2.1339600000e-01 -9.0703000000e-01  1.4689180000e+00 -1.0241990000e+00 -4.4816000000e-02  1.5986900000e+00  6.2357900000e-01  6.5068100000e-01 -1.1422580000e+00  4.5929400000e-01  1.5012620000e+00 -7.3512900000e-01  6.8163000000e-02  4.0871000000e-02 -6.5658800000e-01
-ENERGY -1.526595944982e+02
-FORCES  3.3833000000e-03  3.0805000000e-03  3.0411000000e-03 -4.5675000000e-03  1.7389000000e-03 -2.3684000000e-03  2.8933000000e-03 -2.4843000000e-03 -2.9877000000e-03 -7.6889000000e-03 -3.5397000000e-03  1.0231400000e-02  8.5310000000e-04 -1.9238000000e-03 -9.3880000000e-04  5.1268000000e-03  3.1285000000e-03 -6.9777000000e-03
-
-JOB 23
-COORDS  1.2479260000e+00  2.5257000000e-02 -5.6397500000e-01  2.1770220000e+00  2.4539300000e-01 -4.9650200000e-01  9.2106500000e-01  5.7868400000e-01 -1.2732800000e+00 -1.3311160000e+00 -9.5401000000e-02  6.1390600000e-01 -7.6304700000e-01  3.9991900000e-01  1.2039800000e+00 -9.0727100000e-01 -2.6174000000e-02 -2.4154400000e-01
-ENERGY -1.526537148539e+02
-FORCES  1.7193000000e-03  1.7724000000e-03 -1.5227000000e-03 -4.6909000000e-03 -6.4760000000e-04  1.1360000000e-04 -2.1174000000e-03 -3.7012000000e-03  5.3444000000e-03  1.2814500000e-02  4.6750000000e-04 -1.6296000000e-03 -4.2911000000e-03 -2.4590000000e-04  3.7610000000e-04 -3.4343000000e-03  2.3548000000e-03 -2.6818000000e-03
-
-JOB 24
-COORDS  3.5780000000e-01  1.1580830000e+00  6.4182500000e-01  1.0612510000e+00  1.7302140000e+00  3.3514400000e-01  6.9860900000e-01  7.6936100000e-01  1.4474150000e+00 -3.9960800000e-01 -1.2149320000e+00 -7.2166800000e-01 -1.3062100000e+00 -9.6779800000e-01 -5.3937900000e-01  1.1613200000e-01 -7.2476300000e-01 -8.1373000000e-02
-ENERGY -1.526568925398e+02
-FORCES  3.0539000000e-03  2.2844000000e-03 -1.1135000000e-03 -3.2880000000e-03 -2.8908000000e-03  2.4008000000e-03 -2.2689000000e-03 -1.4720000000e-03 -6.7644000000e-03 -2.3000000000e-04  1.2430700000e-02  5.2617000000e-03  1.9592000000e-03 -2.3728000000e-03 -8.9570000000e-04  7.7380000000e-04 -7.9795000000e-03  1.1111000000e-03
-
-JOB 25
-COORDS -1.0386400000e+00 -8.6447600000e-01  4.9724700000e-01 -1.9186150000e+00 -7.6105400000e-01  1.3506000000e-01 -6.0639700000e-01 -2.9052000000e-02  3.1986400000e-01  1.0135560000e+00  8.1387500000e-01 -4.3808100000e-01  1.0826630000e+00  6.7380600000e-01 -1.3824520000e+00  1.9166700000e+00  9.4146400000e-01 -1.4767000000e-01
-ENERGY -1.526596386051e+02
-FORCES  5.3148000000e-03  6.9379000000e-03 -2.6086000000e-03  3.8724000000e-03  4.6950000000e-04  1.3000000000e-05 -8.2192000000e-03 -4.5461000000e-03  2.0207000000e-03  2.3803000000e-03 -3.9860000000e-03 -9.6610000000e-04  5.2500000000e-05  1.5525000000e-03  4.2088000000e-03 -3.4007000000e-03 -4.2790000000e-04 -2.6678000000e-03
-
-JOB 26
-COORDS -1.2295700000e+00  5.7335300000e-01 -5.8246900000e-01 -6.1251000000e-01 -9.8315000000e-02 -2.9207200000e-01 -1.4998920000e+00  1.0150660000e+00  2.2254600000e-01  1.1743790000e+00 -5.0930900000e-01  4.8741900000e-01  1.0405060000e+00 -1.4482270000e+00  3.5802400000e-01  1.8959980000e+00 -4.5387100000e-01  1.1138570000e+00
-ENERGY -1.526563978993e+02
-FORCES  9.0605000000e-03 -9.8830000000e-04  7.7067000000e-03 -5.6707000000e-03 -3.5535000000e-03 -3.6472000000e-03 -3.3470000000e-04 -7.4100000000e-04 -2.7576000000e-03  2.3550000000e-03  1.3850000000e-04  1.6760000000e-03 -2.3457000000e-03  6.3353000000e-03  1.8000000000e-05 -3.0645000000e-03 -1.1910000000e-03 -2.9960000000e-03
-
-JOB 27
-COORDS -8.2888200000e-01 -1.1358130000e+00 -3.2881600000e-01 -3.6029000000e-02 -6.9631000000e-01 -2.1485000000e-02 -5.2320500000e-01 -1.9826880000e+00 -6.5377200000e-01  7.2927300000e-01  1.1091820000e+00  3.6291600000e-01  4.8828800000e-01  1.5138520000e+00 -4.7039100000e-01  1.5259370000e+00  1.5672970000e+00  6.3066400000e-01
-ENERGY -1.526606399297e+02
-FORCES  6.3874000000e-03  3.3567000000e-03  3.2742000000e-03 -5.5441000000e-03 -6.6189000000e-03 -4.9005000000e-03  6.6700000000e-05  3.5160000000e-03  1.3408000000e-03  1.2240000000e-04  3.4991000000e-03 -2.0551000000e-03  2.7817000000e-03 -2.3138000000e-03  4.3636000000e-03 -3.8141000000e-03 -1.4391000000e-03 -2.0230000000e-03
-
-JOB 28
-COORDS -7.3721200000e-01  1.2736960000e+00 -5.1758000000e-02 -1.5888030000e+00  1.1642480000e+00 -4.7489500000e-01 -3.7487200000e-01  3.8874900000e-01 -9.2040000000e-03  7.0570700000e-01 -1.1884900000e+00  6.5978000000e-02  1.4633600000e+00 -1.0899140000e+00 -5.1063100000e-01  1.0303340000e+00 -1.7068170000e+00  8.0231100000e-01
-ENERGY -1.526620409738e+02
-FORCES  2.4806000000e-03 -9.6232000000e-03  2.5320000000e-04  2.8937000000e-03 -4.4550000000e-04  1.2133000000e-03 -4.9783000000e-03  9.1056000000e-03 -2.1920000000e-03  3.5043000000e-03  2.2810000000e-04  1.6565000000e-03 -3.6015000000e-03 -1.0257000000e-03  3.3628000000e-03 -2.9900000000e-04  1.7606000000e-03 -4.2938000000e-03
-
-JOB 29
-COORDS -1.1062280000e+00  8.4165400000e-01  3.5479000000e-01 -4.6461100000e-01  1.4653800000e+00  6.9468200000e-01 -1.4358790000e+00  3.8932000000e-01  1.1312920000e+00  1.1295710000e+00 -8.9127500000e-01 -3.8868700000e-01  4.1949200000e-01 -3.4635800000e-01 -4.9444000000e-02  1.0876440000e+00 -7.7643800000e-01 -1.3380480000e+00
-ENERGY -1.526601278957e+02
-FORCES -1.8772000000e-03  2.5889000000e-03  4.6282000000e-03 -1.7854000000e-03 -6.2742000000e-03 -2.7305000000e-03  3.5723000000e-03  1.8367000000e-03 -4.5769000000e-03 -9.9048000000e-03  5.9866000000e-03 -1.8466000000e-03  9.1684000000e-03 -3.7837000000e-03  1.6925000000e-03  8.2670000000e-04 -3.5420000000e-04  2.8333000000e-03
-
-JOB 30
-COORDS -5.4991800000e-01  1.3840170000e+00 -3.4233000000e-02  2.1129800000e-01  1.9165870000e+00 -2.6477600000e-01 -2.5671300000e-01  4.8097500000e-01 -1.5579300000e-01  5.0906000000e-01 -1.3051240000e+00  5.4301000000e-02 -1.5776400000e-01 -1.7020940000e+00 -5.0605000000e-01  8.1213100000e-01 -2.0220250000e+00  6.1146700000e-01
-ENERGY -1.526592982665e+02
-FORCES  7.3607000000e-03 -6.9859000000e-03  1.0111000000e-03 -2.4370000000e-03 -1.3228000000e-03  7.3590000000e-04 -5.8838000000e-03  5.1762000000e-03 -4.5197000000e-03 -4.0980000000e-04 -3.1558000000e-03  3.3226000000e-03  2.9317000000e-03  4.4795000000e-03  3.2553000000e-03 -1.5618000000e-03  1.8089000000e-03 -3.8052000000e-03
-
-JOB 31
-COORDS -6.2348800000e-01 -2.6643400000e-01 -1.3322410000e+00 -1.0476010000e+00 -1.1129100000e+00 -1.1913920000e+00 -2.3986300000e-01 -4.6027000000e-02 -4.8342700000e-01  6.0933600000e-01  3.4209500000e-01  1.2298950000e+00  5.5790000000e-02 -7.7213000000e-02  1.8886810000e+00  1.4924180000e+00  2.7110000000e-02  1.4227270000e+00
-ENERGY -1.526608286112e+02
-FORCES  3.9987000000e-03  4.6560000000e-04  9.4582000000e-03  1.4079000000e-03  2.6133000000e-03  4.8060000000e-04 -5.9835000000e-03 -3.1649000000e-03 -8.5959000000e-03  2.7608000000e-03 -2.1285000000e-03  3.2563000000e-03  2.7183000000e-03  1.0404000000e-03 -4.6377000000e-03 -4.9022000000e-03  1.1742000000e-03  3.8400000000e-05
-
-JOB 32
-COORDS  3.9233700000e-01 -4.4662700000e-01  1.3483110000e+00  6.5419300000e-01  1.0571700000e-01  2.0849110000e+00 -3.1216000000e-02  1.5491400000e-01  7.3595200000e-01 -4.2473500000e-01  4.2413000000e-01 -1.3072690000e+00 -4.6246500000e-01 -4.8979300000e-01 -1.5893230000e+00  2.9296800000e-01  8.0258200000e-01 -1.8151150000e+00
-ENERGY -1.526609986232e+02
-FORCES -2.6315000000e-03  5.2360000000e-03 -5.0575000000e-03 -8.9910000000e-04 -8.8480000000e-04 -3.5565000000e-03  2.6994000000e-03 -3.5622000000e-03  9.2465000000e-03  4.0930000000e-03 -4.0633000000e-03 -3.5706000000e-03  8.6800000000e-05  4.9855000000e-03  8.2830000000e-04 -3.3487000000e-03 -1.7113000000e-03  2.1098000000e-03
-
-JOB 33
-COORDS  8.9407500000e-01 -3.3640700000e-01  1.1105010000e+00  2.1888800000e-01  3.0350700000e-01  8.8497000000e-01  1.4234760000e+00  9.8730000000e-02  1.7788000000e+00 -8.5820000000e-01  2.5671600000e-01 -1.0727220000e+00 -3.5138400000e-01  4.5627000000e-01 -1.8598360000e+00 -1.7670620000e+00  4.2026600000e-01 -1.3246200000e+00
-ENERGY -1.526579654970e+02
-FORCES -4.4094000000e-03  3.6912000000e-03 -2.3447000000e-03  5.4278000000e-03 -1.3052000000e-03  6.4210000000e-03 -2.4687000000e-03 -9.7140000000e-04 -3.3169000000e-03  5.0380000000e-04 -6.2550000000e-04 -5.1166000000e-03 -3.3868000000e-03 -1.9120000000e-04  3.0055000000e-03  4.3333000000e-03 -5.9790000000e-04  1.3518000000e-03
-
-JOB 34
-COORDS  9.0613300000e-01 -6.4294200000e-01 -1.0362680000e+00  5.4290600000e-01  1.7651900000e-01 -7.0043900000e-01  1.0980990000e+00 -1.1590460000e+00 -2.5331300000e-01 -8.7679500000e-01  6.0535300000e-01  9.1387900000e-01 -1.3765850000e+00  1.3879390000e+00  1.1462620000e+00 -7.0608500000e-01  1.7245700000e-01  1.7503540000e+00
-ENERGY -1.526577894300e+02
-FORCES -5.8878000000e-03  3.6857000000e-03  8.4947000000e-03  5.0372000000e-03 -2.0656000000e-03 -5.1544000000e-03  2.9800000000e-04  4.5660000000e-04 -2.1800000000e-03 -1.7246000000e-03 -2.3020000000e-04  3.9420000000e-03  2.5611000000e-03 -3.8253000000e-03 -1.0547000000e-03 -2.8380000000e-04  1.9788000000e-03 -4.0477000000e-03
-
-JOB 35
-COORDS -8.9227300000e-01  9.0217100000e-01 -6.0914900000e-01 -1.1108570000e+00  1.7595480000e+00 -2.4396700000e-01 -1.5928070000e+00  7.2275800000e-01 -1.2362810000e+00  9.5015400000e-01 -9.2706900000e-01  6.9011200000e-01  1.2605370000e+00 -1.7494280000e+00  3.1114200000e-01  6.1710100000e-01 -4.2933000000e-01 -5.6590000000e-02
-ENERGY -1.526594928103e+02
-FORCES -3.3202000000e-03  2.3026000000e-03  1.7701000000e-03 -2.1900000000e-04 -3.5268000000e-03 -2.6573000000e-03  3.1038000000e-03  1.0821000000e-03  2.7334000000e-03 -4.1256000000e-03  3.3061000000e-03 -5.2746000000e-03 -1.9499000000e-03  3.0678000000e-03  4.5900000000e-04  6.5109000000e-03 -6.2318000000e-03  2.9693000000e-03
-
-JOB 36
-COORDS -1.3813410000e+00  3.0488400000e-01 -5.5406700000e-01 -2.0293670000e+00  8.9804600000e-01 -1.7399800000e-01 -7.4837000000e-01  1.5868100000e-01  1.4892900000e-01  1.4030590000e+00 -3.8971300000e-01  4.7540100000e-01  1.1985020000e+00  3.5020400000e-01 -9.6360000000e-02  1.2122870000e+00 -7.1168000000e-02  1.3576520000e+00
-ENERGY -1.526549513707e+02
-FORCES  5.8180000000e-04 -1.8532000000e-03  4.4112000000e-03  3.7965000000e-03 -2.5753000000e-03 -7.5140000000e-04 -2.0847000000e-03  6.3931000000e-03 -3.0619000000e-03  2.7405000000e-03  4.2424000000e-03 -5.5550000000e-04 -2.5049000000e-03 -4.6070000000e-03  5.4830000000e-03 -2.5292000000e-03 -1.6000000000e-03 -5.5254000000e-03
-
-JOB 37
-COORDS -1.2693300000e-01 -8.3582900000e-01 -1.2217200000e+00  6.0625400000e-01 -1.4458500000e+00 -1.1408370000e+00  1.5938600000e-01 -2.0237800000e-01 -1.8797420000e+00  1.0132900000e-01  8.8219100000e-01  1.2771220000e+00  1.1842800000e-01  5.2578700000e-01  3.8891300000e-01 -5.0277400000e-01  3.1213500000e-01  1.7528620000e+00
-ENERGY -1.526602296004e+02
-FORCES  3.4606000000e-03 -2.9635000000e-03 -4.5236000000e-03 -3.6983000000e-03  3.7504000000e-03 -1.4730000000e-04 -8.9840000000e-04 -2.2128000000e-03  5.5986000000e-03 -4.1337000000e-03 -7.5271000000e-03 -6.0735000000e-03  3.0192000000e-03  6.8349000000e-03  5.3845000000e-03  2.2506000000e-03  2.1182000000e-03 -2.3870000000e-04
-
-JOB 38
-COORDS -6.1600900000e-01 -3.7227100000e-01  1.3068910000e+00  2.3958100000e-01 -7.6456600000e-01  1.4809640000e+00 -1.2240180000e+00 -1.1115600000e+00  1.3095990000e+00  6.2378700000e-01  4.6882100000e-01 -1.3748820000e+00 -2.4665700000e-01  1.2208700000e-01 -1.1790910000e+00  1.1397730000e+00  2.7836400000e-01 -5.9148100000e-01
-ENERGY -1.526554436172e+02
-FORCES  9.3580000000e-04 -4.6537000000e-03  2.7488000000e-03 -3.0197000000e-03  2.8593000000e-03 -3.0272000000e-03  2.9379000000e-03  3.8365000000e-03 -1.2624000000e-03 -4.8273000000e-03 -1.7375000000e-03  8.9363000000e-03  2.6500000000e-03  2.1720000000e-04 -5.0893000000e-03  1.3233000000e-03 -5.2180000000e-04 -2.3061000000e-03
-
-JOB 39
-COORDS  2.5933400000e-01 -1.0807240000e+00 -1.1416050000e+00 -5.7426400000e-01 -9.2373900000e-01 -6.9809400000e-01  6.7454700000e-01 -2.1931300000e-01 -1.1840470000e+00 -2.7952300000e-01  1.0554960000e+00  1.1519410000e+00  2.5310300000e-01  3.2959500000e-01  1.4769160000e+00 -1.6363000000e-02  1.1554710000e+00  2.3707300000e-01
-ENERGY -1.526526473868e+02
-FORCES -3.2314000000e-03  3.8784000000e-03  1.4589000000e-03  5.0984000000e-03 -5.6200000000e-04 -2.3355000000e-03 -2.5389000000e-03 -1.2293000000e-03  3.0675000000e-03  4.9610000000e-03 -3.0266000000e-03 -1.3347000000e-03 -3.2783000000e-03  3.7057000000e-03 -1.5020000000e-03 -1.0107000000e-03 -2.7662000000e-03  6.4590000000e-04
-
-JOB 40
-COORDS -4.5123600000e-01 -1.2663420000e+00 -8.4807900000e-01 -3.7113700000e-01 -6.8423600000e-01 -9.2455000000e-02 -4.8546000000e-02 -7.8134900000e-01 -1.5683950000e+00  4.7681600000e-01  1.1782510000e+00  8.0470200000e-01 -4.4448600000e-01  1.2756820000e+00  5.6399200000e-01  5.1848600000e-01  1.4669240000e+00  1.7163840000e+00
-ENERGY -1.526568432212e+02
-FORCES  6.4335000000e-03  5.4058000000e-03  2.0441000000e-03 -6.4185000000e-03 -1.3764000000e-03 -3.7210000000e-03 -2.7441000000e-03 -1.9405000000e-03  1.8002000000e-03 -1.8302000000e-03  4.2776000000e-03  4.1240000000e-03  5.1650000000e-03 -5.2256000000e-03  3.0630000000e-04 -6.0570000000e-04 -1.1408000000e-03 -4.5536000000e-03
-
-JOB 41
-COORDS  3.3636000000e-02 -4.7239500000e-01  1.3995410000e+00  2.0191200000e-01 -1.3871300000e-01  2.2807740000e+00 -7.8617900000e-01 -9.5990000000e-01  1.4800100000e+00  3.7047000000e-02  4.9272400000e-01 -1.5182960000e+00 -7.3947200000e-01  9.3740900000e-01 -1.1784350000e+00  2.8490200000e-01 -1.2012300000e-01 -8.2604000000e-01
-ENERGY -1.526589837988e+02
-FORCES -1.1450000000e-03  2.9440000000e-04  5.2918000000e-03 -1.8146000000e-03 -1.9798000000e-03 -3.4468000000e-03  3.7322000000e-03  2.9579000000e-03 -1.2300000000e-03 -9.6750000000e-04 -7.8190000000e-04  9.3553000000e-03  1.3739000000e-03 -1.0219000000e-03 -2.5901000000e-03 -1.1789000000e-03  5.3130000000e-04 -7.3802000000e-03
-
-JOB 42
-COORDS  2.3151400000e-01  1.1830840000e+00 -9.8232900000e-01 -6.6847800000e-01  1.4003380000e+00 -7.3933300000e-01  7.7027200000e-01  1.7903980000e+00 -4.7523800000e-01 -1.9263500000e-01 -1.2456890000e+00  1.0036230000e+00 -8.2301600000e-01 -1.7255380000e+00  4.6641100000e-01  6.7973000000e-02 -5.0160900000e-01  4.6079800000e-01
-ENERGY -1.526597437167e+02
-FORCES -1.1017000000e-03  7.2792000000e-03 -2.3400000000e-05  5.0332000000e-03 -3.1332000000e-03 -1.2650000000e-04 -3.1100000000e-03 -4.0025000000e-03 -1.8274000000e-03  6.6830000000e-04  2.8296000000e-03 -7.7303000000e-03  1.4979000000e-03  1.8982000000e-03  2.2339000000e-03 -2.9877000000e-03 -4.8713000000e-03  7.4736000000e-03
-
-JOB 43
-COORDS  1.0032190000e+00 -7.5134300000e-01 -9.4055400000e-01  1.1512300000e-01 -7.8978200000e-01 -5.8553300000e-01  9.5805100000e-01 -1.2524540000e+00 -1.7548510000e+00 -9.8559100000e-01  7.2361100000e-01  9.3348900000e-01 -2.1861200000e-01  7.0266200000e-01  1.5057970000e+00 -1.2291970000e+00  1.6483820000e+00  8.9242300000e-01
-ENERGY -1.526591076590e+02
-FORCES -5.7182000000e-03 -2.1490000000e-04 -4.8150000000e-04  6.5759000000e-03 -3.7507000000e-03 -2.8879000000e-03 -4.5340000000e-04  2.1511000000e-03  2.9520000000e-03  2.9800000000e-03  5.7230000000e-03  1.7710000000e-03 -4.2326000000e-03 -3.2080000000e-04 -2.4167000000e-03  8.4840000000e-04 -3.5876000000e-03  1.0632000000e-03
-
-JOB 44
-COORDS  8.3601600000e-01 -3.5479000000e-02 -1.2748670000e+00  6.0227600000e-01  3.2293500000e-01 -2.1311020000e+00  1.1415330000e+00 -9.2319100000e-01 -1.4615730000e+00 -8.9655600000e-01  1.0666900000e-01  1.3306850000e+00 -8.2533900000e-01 -8.1718900000e-01  1.5707820000e+00  2.3900000000e-04  3.7116800000e-01  1.1256700000e+00
-ENERGY -1.526558454023e+02
-FORCES -1.9872000000e-03 -1.6737000000e-03 -4.8385000000e-03  1.5862000000e-03 -1.9291000000e-03  3.1904000000e-03 -1.2698000000e-03  3.6050000000e-03  1.3932000000e-03  5.9437000000e-03 -2.4833000000e-03 -4.5075000000e-03 -4.7530000000e-04  2.9215000000e-03 -4.7300000000e-04 -3.7976000000e-03 -4.4040000000e-04  5.2355000000e-03
-
-JOB 45
-COORDS -4.2925000000e-01 -6.5121100000e-01 -1.4032540000e+00 -1.1331890000e+00 -1.2649490000e+00 -1.1934270000e+00  1.4771700000e-01 -6.7772400000e-01 -6.3994600000e-01  4.8518300000e-01  6.5474400000e-01  1.3156500000e+00  4.9174500000e-01  1.6066820000e+00  1.4156640000e+00 -3.1836800000e-01  3.7303100000e-01  1.7528860000e+00
-ENERGY -1.526577052066e+02
-FORCES  1.7674000000e-03 -1.4870000000e-04  6.1007000000e-03  2.3097000000e-03  2.6343000000e-03  1.3600000000e-05 -3.7757000000e-03 -4.0423000000e-03 -5.8955000000e-03 -3.7572000000e-03  5.4995000000e-03  1.3703000000e-03 -1.7730000000e-04 -4.0845000000e-03  8.4690000000e-04  3.6330000000e-03  1.4170000000e-04 -2.4360000000e-03
-
-JOB 46
-COORDS -5.9334500000e-01  1.4498140000e+00 -4.3483000000e-01 -2.6343500000e-01  5.6465700000e-01 -2.8026800000e-01 -1.5336410000e+00  1.3882400000e+00 -2.6664900000e-01  6.1599600000e-01 -1.3457280000e+00  3.7788800000e-01  4.1049300000e-01 -1.4181000000e+00  1.3099630000e+00  1.0201180000e+00 -2.1844300000e+00  1.5540900000e-01
-ENERGY -1.526603971872e+02
-FORCES -1.5750000000e-04 -6.7267000000e-03  7.5570000000e-04 -4.2634000000e-03  8.4439000000e-03 -4.5100000000e-04  3.1875000000e-03  1.5310000000e-04 -1.0210000000e-04  2.6285000000e-03 -5.2093000000e-03  2.1563000000e-03  3.7680000000e-04  2.3190000000e-04 -4.7181000000e-03 -1.7719000000e-03  3.1072000000e-03  2.3592000000e-03
-
-JOB 47
-COORDS  3.7360600000e-01 -2.9154300000e-01  1.5446820000e+00  7.8699400000e-01 -1.1071640000e+00  1.8277100000e+00  4.3541600000e-01 -3.0997200000e-01  5.8965700000e-01 -3.6247400000e-01  3.9785500000e-01 -1.4820290000e+00 -8.2478000000e-02 -3.3162800000e-01 -2.0349200000e+00 -1.2691380000e+00  1.9213500000e-01 -1.2542750000e+00
-ENERGY -1.526589043664e+02
-FORCES  1.8034000000e-03 -6.6880000000e-04 -5.2680000000e-03 -1.6892000000e-03  2.8275000000e-03 -1.9780000000e-03  7.0650000000e-04 -3.9795000000e-03  8.5200000000e-03 -5.4561000000e-03 -1.1642000000e-03 -4.5634000000e-03 -6.6910000000e-04  2.7970000000e-03  4.4198000000e-03  5.3044000000e-03  1.8790000000e-04 -1.1304000000e-03
-
-JOB 48
-COORDS  7.3545000000e-02 -7.7129700000e-01 -1.4181540000e+00  5.1338200000e-01 -4.5824500000e-01 -6.2772800000e-01  4.7716700000e-01 -2.7475700000e-01 -2.1300320000e+00 -1.8716700000e-01  7.4597400000e-01  1.3954930000e+00  1.0265400000e-01 -1.6434000000e-01  1.4551910000e+00  5.7419900000e-01  1.2585410000e+00  1.6672090000e+00
-ENERGY -1.526534930415e+02
-FORCES  1.7668000000e-03  6.6583000000e-03  1.4696000000e-03  5.9250000000e-04 -5.3981000000e-03 -1.4818000000e-03 -1.3839000000e-03 -2.1812000000e-03  2.5998000000e-03  1.7668000000e-03 -1.1082000000e-03  4.2871000000e-03  5.8200000000e-04  4.8065000000e-03 -4.2414000000e-03 -3.3243000000e-03 -2.7774000000e-03 -2.6332000000e-03
-
-JOB 49
-COORDS  7.5916600000e-01 -1.4520110000e+00 -7.9509000000e-02  9.0440900000e-01 -1.6734570000e+00  8.4032700000e-01  1.2439560000e+00 -6.3696900000e-01 -2.0957600000e-01 -7.8710500000e-01  1.4555230000e+00  8.5503000000e-02 -6.2549000000e-01  5.1219500000e-01  6.9835000000e-02 -1.1045580000e+00  1.6592640000e+00 -7.9423900000e-01
-ENERGY -1.526589142299e+02
-FORCES  6.2592000000e-03 -3.5520000000e-04  3.3865000000e-03 -1.1705000000e-03  1.5073000000e-03 -4.4533000000e-03 -5.3760000000e-03 -3.5742000000e-03  7.0270000000e-04 -2.2600000000e-03 -4.9453000000e-03 -3.5942000000e-03  8.6180000000e-04  8.0228000000e-03  6.2930000000e-04  1.6855000000e-03 -6.5520000000e-04  3.3290000000e-03
-
-JOB 50
-COORDS -5.7163700000e-01 -1.2138320000e+00 -8.7008300000e-01  2.8012300000e-01 -1.5019980000e+00 -1.1982550000e+00 -1.1468680000e+00 -1.2464330000e+00 -1.6344650000e+00  5.4372300000e-01  1.3024670000e+00  9.4408700000e-01  1.1800560000e+00  7.6130700000e-01  1.4114820000e+00  7.3706000000e-02  6.8770300000e-01  3.8072100000e-01
-ENERGY -1.526598242073e+02
-FORCES -3.8100000000e-04 -3.4742000000e-03 -6.3113000000e-03 -3.8300000000e-03  2.0044000000e-03  2.1064000000e-03  3.0415000000e-03 -3.2550000000e-04  3.2231000000e-03 -1.6610000000e-03 -6.7539000000e-03 -1.5068000000e-03 -1.5675000000e-03  2.0012000000e-03 -1.8280000000e-03  4.3980000000e-03  6.5480000000e-03  4.3166000000e-03
-
-JOB 51
-COORDS -2.6865300000e-01  9.3469000000e-02 -1.5850900000e+00  6.5577500000e-01 -1.4808500000e-01 -1.5275000000e+00 -5.4063500000e-01 -2.0345400000e-01 -2.4534760000e+00  2.2000800000e-01  1.2040000000e-03  1.6579810000e+00 -4.3831400000e-01 -6.8478500000e-01  1.5472420000e+00  1.0310110000e+00 -3.8974800000e-01  1.3329220000e+00
-ENERGY -1.526527785792e+02
-FORCES  3.4024000000e-03 -7.2730000000e-04 -3.3179000000e-03 -3.6269000000e-03 -6.9100000000e-05  1.1070000000e-04  8.7130000000e-04  1.1824000000e-03  4.3583000000e-03 -1.4077000000e-03 -4.0332000000e-03 -4.0921000000e-03  3.1466000000e-03  1.9958000000e-03  2.2979000000e-03 -2.3857000000e-03  1.6513000000e-03  6.4300000000e-04
-
-JOB 52
-COORDS  5.1313100000e-01  1.5045610000e+00 -5.0254100000e-01  6.6055500000e-01  5.5897700000e-01 -5.2172700000e-01  6.2805500000e-01  1.7838440000e+00 -1.4108500000e+00 -4.9604000000e-01 -1.4342370000e+00  5.1216000000e-01 -1.3819070000e+00 -1.3344130000e+00  8.6073900000e-01 -1.4251100000e-01 -2.1968830000e+00  9.7000300000e-01
-ENERGY -1.526586365462e+02
-FORCES  2.0220000000e-04 -5.1105000000e-03 -2.2560000000e-03  2.1377000000e-03  7.3256000000e-03 -2.2817000000e-03 -5.4470000000e-04 -1.2456000000e-03  3.3083000000e-03 -3.8896000000e-03 -2.3859000000e-03  4.4351000000e-03  3.7043000000e-03 -1.8435000000e-03 -1.2240000000e-03 -1.6100000000e-03  3.2599000000e-03 -1.9817000000e-03
-
-JOB 53
-COORDS  4.2264300000e-01  1.3915700000e-01  1.5378690000e+00  9.3919200000e-01  1.0618900000e-01  2.3430530000e+00 -3.4989800000e-01  6.5477000000e-01  1.7692920000e+00 -4.2165400000e-01 -1.9968800000e-01 -1.6579710000e+00  2.5798200000e-01 -4.6009500000e-01 -1.0362680000e+00 -8.1658400000e-01  5.8062000000e-01 -1.2688930000e+00
-ENERGY -1.526577089722e+02
-FORCES -8.5830000000e-04  1.6797000000e-03  5.9856000000e-03 -2.6033000000e-03  3.0530000000e-04 -3.2761000000e-03  3.4911000000e-03 -1.7716000000e-03 -1.6949000000e-03  2.6193000000e-03  1.9587000000e-03  6.8063000000e-03 -2.6647000000e-03  3.5300000000e-05 -5.9626000000e-03  1.5900000000e-05 -2.2074000000e-03 -1.8583000000e-03
-
-JOB 54
-COORDS  1.2211350000e+00 -1.0038510000e+00 -5.8080900000e-01  1.6217490000e+00 -9.7896300000e-01 -1.4497850000e+00  7.2743100000e-01 -1.8600700000e-01 -5.2064000000e-01 -1.1684810000e+00  9.9145100000e-01  6.2416000000e-01 -1.4659750000e+00  4.7922100000e-01  1.3760570000e+00 -1.7953700000e+00  7.8594600000e-01 -6.9389000000e-02
-ENERGY -1.526589083959e+02
-FORCES -1.1754000000e-03  4.9859000000e-03 -1.1623000000e-03 -2.0720000000e-03  2.1730000000e-04  3.1168000000e-03  4.6132000000e-03 -5.9866000000e-03 -3.8377000000e-03 -5.9899000000e-03 -2.8069000000e-03  2.9303000000e-03  6.3880000000e-04  2.8221000000e-03 -3.4949000000e-03  3.9853000000e-03  7.6820000000e-04  2.4479000000e-03
-
-JOB 55
-COORDS -8.4684300000e-01 -9.6742100000e-01 -1.2349860000e+00  1.5428000000e-02 -1.0698560000e+00 -8.3221100000e-01 -1.3777140000e+00 -5.4312700000e-01 -5.6090700000e-01  7.6649500000e-01  9.3912700000e-01  1.1651370000e+00  1.4484540000e+00  9.1693700000e-01  4.9381700000e-01  1.2313380000e+00  1.1599110000e+00  1.9722350000e+00
-ENERGY -1.526567659632e+02
-FORCES  1.1469000000e-03  2.3115000000e-03  6.7481000000e-03 -1.8618000000e-03 -4.2500000000e-05 -3.5026000000e-03  5.1940000000e-04 -2.5928000000e-03 -4.0723000000e-03  5.3308000000e-03  2.6741000000e-03  1.5807000000e-03 -3.2766000000e-03 -1.4912000000e-03  2.9672000000e-03 -1.8586000000e-03 -8.5910000000e-04 -3.7210000000e-03
-
-JOB 56
-COORDS  1.2804520000e+00  9.7837700000e-01  7.6480700000e-01  1.6760700000e+00  1.0969300000e-01  8.3626900000e-01  1.2207580000e+00  1.1381480000e+00 -1.7707500000e-01 -1.2723100000e+00 -9.3437600000e-01 -7.8293700000e-01 -1.6434720000e+00 -2.3810900000e-01 -2.4101300000e-01 -1.3507510000e+00 -1.7234290000e+00 -2.4677100000e-01
-ENERGY -1.526564421810e+02
-FORCES  1.0699000000e-03 -4.2509000000e-03 -5.1445000000e-03 -9.4070000000e-04  3.5626000000e-03  7.4280000000e-04  7.4190000000e-04  7.9630000000e-04  4.3475000000e-03 -2.1637000000e-03  2.3610000000e-04  5.5723000000e-03  7.0230000000e-04 -3.2871000000e-03 -3.2526000000e-03  5.9010000000e-04  2.9429000000e-03 -2.2655000000e-03
-
-JOB 57
-COORDS  2.5610400000e-01  1.2738210000e+00  1.2706730000e+00  1.0100630000e+00  7.7930300000e-01  9.4937900000e-01  5.0319400000e-01  2.1911380000e+00  1.1535890000e+00 -3.4894100000e-01 -1.2943920000e+00 -1.2926880000e+00 -5.7158900000e-01 -1.7603120000e+00 -4.8672400000e-01  5.2804800000e-01 -9.4534800000e-01 -1.1336610000e+00
-ENERGY -1.526527058430e+02
-FORCES  3.5315000000e-03  2.8634000000e-03 -2.0157000000e-03 -3.1324000000e-03  6.9750000000e-04  5.7610000000e-04 -8.8640000000e-04 -4.0021000000e-03  6.1140000000e-04  1.3431000000e-03  5.4010000000e-04  4.8675000000e-03  1.5586000000e-03  1.1532000000e-03 -3.8113000000e-03 -2.4143000000e-03 -1.2521000000e-03 -2.2790000000e-04
-
-JOB 58
-COORDS  8.5096600000e-01 -1.3501290000e+00 -1.1286170000e+00  1.4535300000e-01 -1.9565080000e+00 -9.0356700000e-01  1.3552250000e+00 -1.2580590000e+00 -3.2023700000e-01 -8.8533400000e-01  1.3322570000e+00  1.1059330000e+00 -1.0026070000e+00  2.2711120000e+00  9.6091300000e-01 -3.3368000000e-02  1.1339630000e+00  7.1726000000e-01
-ENERGY -1.526551705625e+02
-FORCES -1.5646000000e-03 -3.7946000000e-03  3.7406000000e-03  3.5510000000e-03  2.2605000000e-03 -1.1868000000e-03 -2.3492000000e-03  1.2199000000e-03 -3.2841000000e-03  2.7940000000e-03  3.1994000000e-03 -3.5009000000e-03  4.6940000000e-04 -3.7183000000e-03  7.6970000000e-04 -2.9006000000e-03  8.3310000000e-04  3.4615000000e-03
-
-JOB 59
-COORDS -9.2874600000e-01  1.7237070000e+00 -2.5898100000e-01 -9.1875800000e-01  2.5640180000e+00  1.9928600000e-01 -1.4060240000e+00  1.1363870000e+00  3.2710100000e-01  9.8269300000e-01 -1.7103740000e+00  2.4608400000e-01  6.6648800000e-01 -2.6128980000e+00  2.0489100000e-01  8.0541200000e-01 -1.3540030000e+00 -6.2443500000e-01
-ENERGY -1.526555642986e+02
-FORCES -1.3735000000e-03  1.0755000000e-03  5.2020000000e-03 -3.2030000000e-04 -3.2559000000e-03 -1.8893000000e-03  1.2246000000e-03  2.7968000000e-03 -3.0518000000e-03 -1.2345000000e-03 -1.5610000000e-03 -4.4583000000e-03  9.9160000000e-04  3.8026000000e-03  3.4110000000e-04  7.1220000000e-04 -2.8580000000e-03  3.8564000000e-03
-
-JOB 60
-COORDS  1.7957100000e-01  1.2033090000e+00 -1.5602450000e+00 -5.5437200000e-01  6.8995500000e-01 -1.8979250000e+00 -1.1933300000e-01  2.1112480000e+00 -1.6105880000e+00 -1.3814700000e-01 -1.2506630000e+00  1.6341580000e+00  2.7279300000e-01 -1.6817710000e+00  8.8482100000e-01 -2.0940700000e-01 -3.3243600000e-01  1.3733630000e+00
-ENERGY -1.526563528177e+02
-FORCES -4.0020000000e-03  2.7664000000e-03 -3.3857000000e-03  3.3507000000e-03  1.9013000000e-03  2.1996000000e-03  1.1282000000e-03 -4.0408000000e-03  3.8280000000e-04  2.5170000000e-03  2.9508000000e-03 -4.7137000000e-03 -2.1543000000e-03  7.5880000000e-04  3.1064000000e-03 -8.3950000000e-04 -4.3366000000e-03  2.4106000000e-03
-
-JOB 61
-COORDS  4.6962300000e-01 -1.6531840000e+00 -1.0609080000e+00  8.3267000000e-01 -1.4304800000e+00 -2.0368400000e-01  1.1893620000e+00 -1.5008470000e+00 -1.6732810000e+00 -4.8894900000e-01  1.5933880000e+00  1.0884740000e+00 -7.3276600000e-01  2.5179340000e+00  1.1332100000e+00 -9.4222400000e-01  1.2629190000e+00  3.1286800000e-01
-ENERGY -1.526564556006e+02
-FORCES  5.2199000000e-03  1.0272000000e-03  1.5150000000e-03 -1.7675000000e-03 -1.4091000000e-03 -4.3459000000e-03 -3.0331000000e-03 -6.2670000000e-04  2.3125000000e-03 -3.4504000000e-03  2.4776000000e-03 -3.1433000000e-03  9.4420000000e-04 -3.6767000000e-03 -3.1160000000e-04  2.0869000000e-03  2.2076000000e-03  3.9733000000e-03
-
-JOB 62
-COORDS -2.5506200000e-01  1.3693660000e+00 -1.6628790000e+00  2.4351900000e-01  7.5375700000e-01 -2.2001630000e+00 -9.1463000000e-02  1.0890860000e+00 -7.6237400000e-01  1.5977100000e-01 -1.3171550000e+00  1.6605500000e+00  7.6476000000e-01 -6.1687100000e-01  1.4159650000e+00  6.7825600000e-01 -2.1184850000e+00  1.5879130000e+00
-ENERGY -1.526535201096e+02
-FORCES  1.5492000000e-03 -4.2826000000e-03  1.4414000000e-03 -1.6555000000e-03  2.7417000000e-03  2.2880000000e-03  8.1940000000e-04  1.7226000000e-03 -3.4502000000e-03  4.9233000000e-03 -1.5777000000e-03  3.4900000000e-05 -3.4066000000e-03 -2.1937000000e-03 -5.3980000000e-04 -2.2298000000e-03  3.5897000000e-03  2.2570000000e-04
-
-JOB 63
-COORDS  1.5095700000e-01 -1.7272250000e+00  1.4815470000e+00 -5.6500800000e-01 -1.2182970000e+00  1.1012600000e+00  9.3068400000e-01 -1.4339270000e+00  1.0101290000e+00 -1.4785300000e-01  1.6260700000e+00 -1.4027440000e+00  5.5338800000e-01  2.0579920000e+00 -1.8905320000e+00 -8.9748000000e-01  2.2151800000e+00 -1.4878320000e+00
-ENERGY -1.526559380761e+02
-FORCES  1.9440000000e-04  4.2377000000e-03 -4.3451000000e-03  2.2512000000e-03 -2.8420000000e-03  2.3822000000e-03 -2.4532000000e-03 -1.9022000000e-03  2.3847000000e-03 -1.9400000000e-04  4.8223000000e-03 -2.8537000000e-03 -2.9182000000e-03 -1.7964000000e-03  2.0536000000e-03  3.1198000000e-03 -2.5194000000e-03  3.7820000000e-04
-
-JOB 64
-COORDS  4.0765500000e-01  1.1023150000e+00 -1.8276870000e+00  1.0146650000e+00  1.8210990000e+00 -2.0040950000e+00  3.2041000000e-01  6.5042000000e-01 -2.6669790000e+00 -4.9008800000e-01 -1.0951000000e+00  1.9153260000e+00  1.0331000000e-01 -1.7443680000e+00  2.2928990000e+00 -1.0742200000e-01 -8.8726400000e-01  1.0629160000e+00
-ENERGY -1.526556844708e+02
-FORCES  1.8937000000e-03  2.1406000000e-03 -4.7689000000e-03 -2.4540000000e-03 -3.1610000000e-03  5.3520000000e-04  5.6130000000e-04  1.7038000000e-03  3.6791000000e-03  3.9456000000e-03 -9.0580000000e-04 -2.7529000000e-03 -2.3156000000e-03  2.4567000000e-03 -1.4128000000e-03 -1.6310000000e-03 -2.2343000000e-03  4.7203000000e-03
-
-JOB 65
-COORDS  6.0284400000e-01  1.2185750000e+00 -1.8167550000e+00  1.4908780000e+00  8.6211500000e-01 -1.7929890000e+00  6.8292000000e-01  2.0885730000e+00 -1.4257020000e+00 -6.2324500000e-01 -1.2118930000e+00  1.8356730000e+00 -4.1908500000e-01 -2.0892400000e+00  1.5119260000e+00 -1.4412260000e+00 -9.7844700000e-01  1.3967650000e+00
-ENERGY -1.526546550154e+02
-FORCES  4.2029000000e-03  2.0300000000e-03  2.4605000000e-03 -3.5300000000e-03  1.4464000000e-03 -5.4470000000e-04 -4.0420000000e-04 -3.3519000000e-03 -1.9179000000e-03 -2.5947000000e-03 -2.2289000000e-03 -3.9965000000e-03 -6.7360000000e-04  3.3303000000e-03  1.5535000000e-03  2.9996000000e-03 -1.2259000000e-03  2.4452000000e-03
-
-JOB 66
-COORDS  6.2647200000e-01 -7.0823700000e-01 -2.0413710000e+00 -9.1201000000e-02 -1.3258620000e+00 -1.9009580000e+00  1.0415830000e+00 -1.0029420000e+00 -2.8519660000e+00 -6.3768700000e-01  7.8715600000e-01  2.1313630000e+00 -1.0026270000e+00  1.3086900000e-01  1.5377830000e+00  2.4192800000e-01  9.5423000000e-01  1.7928430000e+00
-ENERGY -1.526549874464e+02
-FORCES -8.7510000000e-04 -3.8158000000e-03 -3.8185000000e-03  2.8720000000e-03  2.7799000000e-03  1.3420000000e-04 -1.8187000000e-03  1.1244000000e-03  3.3738000000e-03  2.6329000000e-03 -1.7701000000e-03 -4.6095000000e-03  8.3840000000e-04  2.1910000000e-03  2.7056000000e-03 -3.6495000000e-03 -5.0940000000e-04  2.2143000000e-03
-
-JOB 67
-COORDS  1.1154080000e+00  1.9870840000e+00 -8.1068800000e-01  1.7049600000e+00  1.2572710000e+00 -1.0005110000e+00  3.5789500000e-01  1.5804670000e+00 -3.8989100000e-01 -1.1451160000e+00 -1.9094430000e+00  8.4801600000e-01 -3.8167000000e-01 -2.4827840000e+00  9.1629300000e-01 -1.1871120000e+00 -1.6751110000e+00 -7.9107000000e-02
-ENERGY -1.526541816639e+02
-FORCES -6.5680000000e-04 -4.2940000000e-03  1.7048000000e-03 -2.5457000000e-03  2.7418000000e-03  5.0920000000e-04  3.2381000000e-03  1.5946000000e-03 -2.6139000000e-03  2.2593000000e-03 -2.7274000000e-03 -3.2247000000e-03 -3.0805000000e-03  2.7794000000e-03 -4.6580000000e-04  7.8560000000e-04 -9.4400000000e-05  4.0905000000e-03
-
-JOB 68
-COORDS  3.0517600000e-01 -2.2721400000e-01  2.5925880000e+00  6.8677700000e-01 -7.7230000000e-03  1.7426250000e+00  7.7632400000e-01  3.2460800000e-01  3.2168820000e+00 -3.3771200000e-01  1.6389400000e-01 -2.5180250000e+00 -5.8427000000e-02 -2.2667100000e-01 -3.3460900000e+00 -9.4394900000e-01  8.5934200000e-01 -2.7730960000e+00
-ENERGY -1.526547999229e+02
-FORCES  3.3390000000e-03  2.9968000000e-03 -1.6566000000e-03 -1.2539000000e-03 -7.5790000000e-04  4.3451000000e-03 -1.9011000000e-03 -2.1778000000e-03 -2.4030000000e-03 -1.7507000000e-03  1.0049000000e-03 -4.6627000000e-03 -1.0944000000e-03  1.7065000000e-03  3.3779000000e-03  2.6610000000e-03 -2.7727000000e-03  9.9920000000e-04
-
-JOB 69
-COORDS  6.7354900000e-01 -2.0255370000e+00 -1.5571660000e+00  3.9792100000e-01 -2.8878560000e+00 -1.2462530000e+00  1.6275210000e+00 -2.0832700000e+00 -1.6104240000e+00 -6.9332300000e-01  2.0221840000e+00  1.5535560000e+00 -1.1345200000e-01  2.7576380000e+00  1.3558490000e+00 -1.5735480000e+00  2.3975250000e+00  1.5300140000e+00
-ENERGY -1.526535387088e+02
-FORCES  2.6612000000e-03 -3.4862000000e-03  1.6560000000e-03  1.1298000000e-03  3.3619000000e-03 -1.4864000000e-03 -3.8084000000e-03  1.9040000000e-04  4.3000000000e-06 -1.2300000000e-03  4.2629000000e-03 -1.4818000000e-03 -2.3027000000e-03 -2.8775000000e-03  1.0130000000e-03  3.5501000000e-03 -1.4516000000e-03  2.9480000000e-04
-
-JOB 70
-COORDS  3.9961400000e-01  1.1085500000e+00 -2.4659670000e+00  1.0701520000e+00  5.1054500000e-01 -2.7961190000e+00  5.9654800000e-01  1.9456220000e+00 -2.8863950000e+00 -4.5772700000e-01 -1.1884150000e+00  2.4744600000e+00 -1.0354410000e+00 -8.2953400000e-01  3.1480190000e+00  2.3060600000e-01 -5.3096800000e-01  2.3735010000e+00
-ENERGY -1.526540661755e+02
-FORCES  3.3754000000e-03  6.5860000000e-04 -3.2918000000e-03 -2.6340000000e-03  2.6336000000e-03  1.3804000000e-03 -7.9370000000e-04 -3.3767000000e-03  1.8444000000e-03  2.8630000000e-04  4.5073000000e-03  1.7480000000e-03  2.3557000000e-03 -1.5394000000e-03 -2.5559000000e-03 -2.5896000000e-03 -2.8833000000e-03  8.7490000000e-04
-
-JOB 71
-COORDS  8.8863200000e-01  2.6871310000e+00  3.8779900000e-01  1.6878590000e+00  2.8188270000e+00  8.9782200000e-01  2.2562100000e-01  3.2069680000e+00  8.4213100000e-01 -9.3032000000e-01 -2.7076770000e+00 -5.0332400000e-01  1.3993000000e-02 -2.6919020000e+00 -3.4757800000e-01 -1.3013650000e+00 -3.0572090000e+00  3.0685200000e-01
-ENERGY -1.526538640474e+02
-FORCES  2.8230000000e-04  2.7767000000e-03  3.7855000000e-03 -3.2255000000e-03 -6.9890000000e-04 -2.0639000000e-03  2.8269000000e-03 -2.0786000000e-03 -1.7693000000e-03  2.5462000000e-03 -8.0750000000e-04  3.9006000000e-03 -3.8555000000e-03 -5.0180000000e-04 -5.9010000000e-04  1.4255000000e-03  1.3100000000e-03 -3.2627000000e-03
-
-JOB 72
-COORDS -2.3357000000e-01 -2.9294490000e+00  3.0481600000e-01 -1.1414460000e+00 -2.6292080000e+00  2.6182100000e-01 -1.2983000000e-01 -3.4908820000e+00 -4.6347000000e-01  3.0931600000e-01  2.9543030000e+00 -1.9291700000e-01 -1.1447500000e-01  3.6079710000e+00 -7.4911200000e-01  2.5483900000e-01  2.1408260000e+00 -6.9443400000e-01
-ENERGY -1.526540211094e+02
-FORCES -3.3430000000e-03 -1.4148000000e-03 -2.9529000000e-03  3.8145000000e-03 -1.0859000000e-03 -5.6500000000e-05 -4.2220000000e-04  2.4708000000e-03  3.0752000000e-03 -1.6841000000e-03 -8.6850000000e-04 -4.1944000000e-03  1.6625000000e-03 -2.6866000000e-03  2.2623000000e-03 -2.7600000000e-05  3.5850000000e-03  1.8663000000e-03
-
-JOB 73
-COORDS -4.4346000000e-01 -4.7071000000e-02 -2.9335880000e+00 -3.0328300000e-01 -4.8854400000e-01 -3.7712540000e+00 -7.5676700000e-01 -7.3667900000e-01 -2.3483430000e+00  4.1894100000e-01  6.4851000000e-02  2.9921450000e+00  8.1780900000e-01 -2.2626100000e-01  2.1721510000e+00  6.0374600000e-01  1.0033180000e+00  3.0290110000e+00
-ENERGY -1.526544196761e+02
-FORCES -1.0439000000e-03 -4.6394000000e-03 -1.3490000000e-03 -5.3140000000e-04  1.7993000000e-03  3.4775000000e-03  1.6025000000e-03  2.8868000000e-03 -2.2371000000e-03  2.4624000000e-03  2.9427000000e-03 -3.2761000000e-03 -1.7519000000e-03  8.8430000000e-04  3.3818000000e-03 -7.3770000000e-04 -3.8737000000e-03  2.9000000000e-06
-
-JOB 74
-COORDS  1.5142300000e-01 -3.1020100000e-01  2.9377370000e+00 -7.6288900000e-01 -4.6515900000e-01  2.7005580000e+00  1.2320700000e-01 -8.4344000000e-02  3.8674810000e+00 -8.4198000000e-02  3.6857700000e-01 -3.0000910000e+00 -9.1253800000e-01 -5.9490000000e-02 -2.7836570000e+00  5.7761600000e-01 -3.1118900000e-01 -2.8730050000e+00
-ENERGY -1.526540242791e+02
-FORCES -3.8052000000e-03  6.0020000000e-04  2.9171000000e-03  3.7129000000e-03  4.3090000000e-04  8.5910000000e-04  9.4000000000e-05 -9.9010000000e-04 -3.7942000000e-03 -3.8120000000e-04 -4.4970000000e-03  1.7093000000e-03  3.1944000000e-03  1.7459000000e-03 -9.0780000000e-04 -2.8150000000e-03  2.7101000000e-03 -7.8340000000e-04
-
-JOB 75
-COORDS  4.6195000000e-02  2.4900250000e+00  2.4412520000e+00  1.3927400000e-01  2.8146520000e+00  3.3369000000e+00  2.5544000000e-02  1.5373800000e+00  2.5322030000e+00  7.3010000000e-03 -2.4317140000e+00 -2.4810920000e+00 -7.1909400000e-01 -2.4687380000e+00 -1.8588280000e+00 -3.4832300000e-01 -2.8049630000e+00 -3.2875960000e+00
-ENERGY -1.526539698355e+02
-FORCES  5.0490000000e-04 -2.5955000000e-03  3.9283000000e-03 -4.2720000000e-04 -1.3152000000e-03 -3.6450000000e-03 -9.3500000000e-05  3.8827000000e-03 -2.9230000000e-04 -4.4542000000e-03 -1.5189000000e-03 -9.0890000000e-04  3.0118000000e-03  7.9000000000e-05 -2.3985000000e-03  1.4582000000e-03  1.4681000000e-03  3.3165000000e-03
-
-JOB 76
-COORDS  1.8717100000e-01  1.3375220000e+00 -3.3826300000e+00 -1.5843300000e-01  5.5371700000e-01 -3.8097580000e+00 -1.9503300000e-01  1.3209780000e+00 -2.5052030000e+00 -1.7154700000e-01 -1.3148770000e+00  3.2919680000e+00  3.1517600000e-01 -5.0424800000e-01  3.4410080000e+00 -2.3320000000e-01 -1.7202620000e+00  4.1568920000e+00
-ENERGY -1.526543714080e+02
-FORCES -2.9999000000e-03 -3.4435000000e-03  1.9501000000e-03  1.4089000000e-03  3.2405000000e-03  1.6227000000e-03  1.5941000000e-03  2.4630000000e-04 -3.6260000000e-03  1.8208000000e-03  1.5547000000e-03  4.3021000000e-03 -2.0655000000e-03 -3.2728000000e-03 -7.1210000000e-04  2.4160000000e-04  1.6748000000e-03 -3.5368000000e-03
-
-JOB 77
-COORDS  1.5289670000e+00 -2.4365620000e+00  2.3221160000e+00  1.9840860000e+00 -3.0848590000e+00  2.8595250000e+00  9.7352000000e-01 -2.9548630000e+00  1.7398140000e+00 -1.5782100000e+00  2.5234740000e+00 -2.3483400000e+00 -1.4817690000e+00  2.0787520000e+00 -1.5062280000e+00 -6.8782400000e-01  2.5749950000e+00 -2.6958870000e+00
-ENERGY -1.526543421956e+02
-FORCES -3.4190000000e-04 -4.9086000000e-03 -1.6100000000e-05 -1.8681000000e-03  2.6467000000e-03 -2.2270000000e-03  2.2477000000e-03  2.2472000000e-03  2.2991000000e-03  4.1249000000e-03 -1.5521000000e-03  2.1706000000e-03 -5.0420000000e-04  1.7775000000e-03 -3.5384000000e-03 -3.6584000000e-03 -2.1070000000e-04  1.3118000000e-03
-
-JOB 78
-COORDS -8.5663400000e-01  1.6504860000e+00 -3.4537630000e+00 -8.7049600000e-01  1.5706210000e+00 -2.5000010000e+00 -6.0924600000e-01  2.5610390000e+00 -3.6147720000e+00  8.6644600000e-01 -1.6707860000e+00  3.3639050000e+00  1.2910300000e-01 -1.3526170000e+00  3.8847950000e+00  1.1290260000e+00 -2.4855270000e+00  3.7922500000e+00
-ENERGY -1.526542031126e+02
-FORCES  1.1054000000e-03  3.2531000000e-03  3.3673000000e-03 -8.1800000000e-05  4.4880000000e-04 -3.9805000000e-03 -1.0515000000e-03 -3.6619000000e-03  6.0670000000e-04 -1.8779000000e-03 -2.1888000000e-03  3.9053000000e-03  2.9925000000e-03 -1.2110000000e-03 -2.1823000000e-03 -1.0867000000e-03  3.3598000000e-03 -1.7164000000e-03
-
-JOB 79
-COORDS -3.2570060000e+00 -4.8764000000e-01 -2.2249310000e+00 -2.7298860000e+00  5.6842000000e-02 -1.6401970000e+00 -2.8220130000e+00 -1.3402440000e+00 -2.2160060000e+00  3.2141180000e+00  4.9207000000e-01  2.1261570000e+00  3.2545180000e+00 -1.7983300000e-01  2.8067060000e+00  3.0401060000e+00  1.3046500000e+00  2.6011990000e+00
-ENERGY -1.526542978257e+02
-FORCES  4.1144000000e-03 -1.2315000000e-03  2.3927000000e-03 -2.2956000000e-03 -2.1912000000e-03 -2.3556000000e-03 -1.8748000000e-03  3.4145000000e-03 -4.2000000000e-05 -3.0410000000e-04  6.3490000000e-04  4.8163000000e-03 -2.5660000000e-04  2.7267000000e-03 -2.8285000000e-03  6.1670000000e-04 -3.3534000000e-03 -1.9828000000e-03
-
-JOB 80
-COORDS -1.3717700000e-01  5.0886050000e+00 -1.3319430000e+00 -2.9973700000e-01  5.9710830000e+00 -1.6651660000e+00 -9.8207900000e-01  4.6448260000e+00 -1.4056530000e+00  2.0038500000e-01 -5.1538430000e+00  1.4046960000e+00 -5.9964400000e-01 -4.7545460000e+00  1.0630120000e+00  8.9768600000e-01 -4.8096590000e+00  8.4653900000e-01
-ENERGY -1.526540942196e+02
-FORCES -4.1061000000e-03  1.8743000000e-03 -1.6377000000e-03  6.5680000000e-04 -3.6219000000e-03  1.3506000000e-03  3.4566000000e-03  1.7508000000e-03  2.9080000000e-04 -3.6960000000e-04  3.0815000000e-03 -3.6564000000e-03  3.2286000000e-03 -1.6463000000e-03  1.3874000000e-03 -2.8662000000e-03 -1.4384000000e-03  2.2654000000e-03
-
-JOB 81
-COORDS -9.9572400000e-01 -5.2077090000e+00 -2.1784930000e+00 -3.3300400000e-01 -4.5267980000e+00 -2.0627570000e+00 -1.7417030000e+00 -4.9072600000e+00 -1.6593800000e+00  9.8327700000e-01  5.1138090000e+00  2.1862270000e+00  3.8866000000e-01  5.6734640000e+00  1.6867790000e+00  1.8546560000e+00  5.3372210000e+00  1.8590920000e+00
-ENERGY -1.526541429588e+02
-FORCES -3.3440000000e-04  4.0178000000e-03  2.6407000000e-03 -2.6954000000e-03 -2.7861000000e-03 -5.0820000000e-04  3.0282000000e-03 -1.2387000000e-03 -2.1419000000e-03  1.1480000000e-03  3.2711000000e-03 -3.3293000000e-03  2.4183000000e-03 -2.3196000000e-03  2.0215000000e-03 -3.5647000000e-03 -9.4440000000e-04  1.3172000000e-03
-
-JOB 82
-COORDS  6.2476700000e-01  3.6025200000e+00 -4.9300940000e+00  6.2172400000e-01  2.6495100000e+00 -5.0195010000e+00  5.6421400000e-01  3.9280130000e+00 -5.8282140000e+00 -5.7284200000e-01 -3.5951970000e+00  4.9581140000e+00 -8.6039700000e-01 -2.6938870000e+00  4.8125660000e+00 -1.2432600000e+00 -3.9719180000e+00  5.5280710000e+00
-ENERGY -1.526541069981e+02
-FORCES -2.2990000000e-04 -2.5762000000e-03 -4.0331000000e-03 -5.7000000000e-06  3.8989000000e-03  3.6460000000e-04  2.3700000000e-04 -1.3208000000e-03  3.6640000000e-03 -3.8968000000e-03  2.1734000000e-03  1.7382000000e-03  1.1642000000e-03 -3.6981000000e-03  5.9390000000e-04  2.7313000000e-03  1.5229000000e-03 -2.3276000000e-03
-
-JOB 83
-COORDS -6.1986030000e+00  1.2866120000e+00  1.4442780000e+00 -5.9947770000e+00  3.5717600000e-01  1.3401850000e+00 -6.9117540000e+00  1.4465980000e+00  8.2617400000e-01  6.1893040000e+00 -1.3002240000e+00 -1.4355580000e+00  6.7077770000e+00 -6.4099200000e-01 -1.8968930000e+00  6.2918160000e+00 -1.0811840000e+00 -5.0941300000e-01
-ENERGY -1.526541057662e+02
-FORCES -2.0581000000e-03 -3.1552000000e-03 -2.9651000000e-03 -8.4550000000e-04  3.7971000000e-03  4.3740000000e-04  2.8993000000e-03 -6.4330000000e-04  2.5272000000e-03  2.5223000000e-03  3.6046000000e-03  1.9086000000e-03 -2.1084000000e-03 -2.6970000000e-03  1.8735000000e-03 -4.0960000000e-04 -9.0620000000e-04 -3.7816000000e-03
-
-JOB 84
-COORDS  1.3950890000e+00 -6.8828400000e+00  1.4147780000e+00  2.2827670000e+00 -6.6332250000e+00  1.6715910000e+00  1.1526030000e+00 -7.5743650000e+00  2.0305900000e+00 -1.4756530000e+00  6.8631390000e+00 -1.4341160000e+00 -5.4760500000e-01  6.9133580000e+00 -1.2051250000e+00 -1.5922840000e+00  7.5299710000e+00 -2.1108460000e+00
-ENERGY -1.526540438494e+02
-FORCES  2.6127000000e-03 -1.7856000000e-03  3.5656000000e-03 -3.6120000000e-03 -1.0251000000e-03 -1.0508000000e-03  9.9770000000e-04  2.8140000000e-03 -2.5145000000e-03  3.3102000000e-03  2.8961000000e-03 -1.8373000000e-03 -3.7844000000e-03 -1.8930000000e-04 -9.2850000000e-04  4.7590000000e-04 -2.7102000000e-03  2.7655000000e-03
-
-JOB 85
-COORDS -3.6820670000e+00  5.7031440000e+00  3.0967480000e+00 -3.3083130000e+00  5.0439590000e+00  2.5119270000e+00 -4.5688510000e+00  5.8433310000e+00  2.7647960000e+00  3.6852120000e+00 -5.7161850000e+00 -3.0947710000e+00  3.5962500000e+00 -4.7632610000e+00 -3.0788640000e+00  4.1604080000e+00 -5.9263060000e+00 -2.2908610000e+00
-ENERGY -1.526540727218e+02
-FORCES -2.1174000000e-03 -2.1055000000e-03 -3.7372000000e-03 -1.5065000000e-03  2.6818000000e-03  2.3859000000e-03  3.6261000000e-03 -5.7590000000e-04  1.3524000000e-03  1.6012000000e-03  3.0164000000e-03  3.3450000000e-03  3.4520000000e-04 -3.8802000000e-03 -6.5500000000e-05 -1.9486000000e-03  8.6340000000e-04 -3.2807000000e-03
-
-JOB 86
-COORDS  5.6601070000e+00  4.3029500000e+00 -5.0806490000e+00  4.8837460000e+00  4.5913230000e+00 -5.5605820000e+00  6.3042910000e+00  4.9954490000e+00 -5.2279730000e+00 -5.6521580000e+00 -4.4014440000e+00  5.1661200000e+00 -6.3791490000e+00 -3.8662150000e+00  4.8479260000e+00 -4.9201980000e+00 -4.1782890000e+00  4.5910820000e+00
-ENERGY -1.526540841764e+02
-FORCES -5.2120000000e-04  4.0055000000e-03 -2.5659000000e-03  3.1572000000e-03 -1.1807000000e-03  1.9636000000e-03 -2.6343000000e-03 -2.8249000000e-03  6.0230000000e-04  3.6200000000e-05  3.0943000000e-03 -3.6470000000e-03  2.9576000000e-03 -2.1834000000e-03  1.2999000000e-03 -2.9955000000e-03 -9.1070000000e-04  2.3470000000e-03
-
-JOB 87
-COORDS -9.4037450000e+00 -8.6722600000e-01  2.7334590000e+00 -8.9495670000e+00 -1.6496010000e+00  2.4206580000e+00 -1.0333232000e+01 -1.0751430000e+00  2.6382970000e+00  9.4417970000e+00  8.5389700000e-01 -2.6796220000e+00  9.8480010000e+00  1.1875260000e+00 -3.4795730000e+00  8.8275640000e+00  1.5399220000e+00 -2.4182420000e+00
-ENERGY -1.526540820076e+02
-FORCES -1.9365000000e-03 -4.0457000000e-03 -1.6596000000e-03 -1.8544000000e-03  3.1945000000e-03  1.2734000000e-03  3.7904000000e-03  8.5090000000e-04  3.8640000000e-04 -8.5230000000e-04  4.1644000000e-03 -2.1911000000e-03 -1.6552000000e-03 -1.3637000000e-03  3.2606000000e-03  2.5081000000e-03 -2.8004000000e-03 -1.0697000000e-03
-
-JOB 88
-COORDS  8.9965190000e+00 -5.1061430000e+00  1.2696890000e+00  8.6509040000e+00 -5.7392730000e+00  6.4046000000e-01  9.9066100000e+00 -4.9754950000e+00  1.0034230000e+00 -9.0677320000e+00  5.0915330000e+00 -1.1851200000e+00 -8.3428220000e+00  5.6332380000e+00 -8.7320200000e-01 -9.0870840000e+00  5.2379340000e+00 -2.1308600000e+00
-ENERGY -1.526540736373e+02
-FORCES  2.3010000000e-03 -2.0564000000e-03 -3.6486000000e-03  1.4114000000e-03  2.5859000000e-03  2.5644000000e-03 -3.7125000000e-03 -5.2980000000e-04  1.0844000000e-03  2.8854000000e-03  2.8037000000e-03 -2.5792000000e-03 -2.9610000000e-03 -2.2069000000e-03 -1.2762000000e-03  7.5700000000e-05 -5.9660000000e-04  3.8552000000e-03
-
-JOB 89
-COORDS  1.0158095000e+01 -2.6113370000e+00  1.5182530000e+00  1.0388079000e+01 -2.8153180000e+00  2.4247470000e+00  9.6527850000e+00 -1.8004020000e+00  1.5755210000e+00 -1.0136966000e+01  2.5356030000e+00 -1.6082280000e+00 -1.0500921000e+01  2.4790400000e+00 -7.2473000000e-01 -9.9065200000e+00  3.4585840000e+00 -1.7142130000e+00
-ENERGY -1.526540672354e+02
-FORCES -1.1283000000e-03  2.4722000000e-03  3.9275000000e-03 -9.3640000000e-04  8.3400000000e-04 -3.6965000000e-03  2.0642000000e-03 -3.3059000000e-03 -2.3080000000e-04 -5.4920000000e-04  3.5327000000e-03  3.1664000000e-03  1.4875000000e-03  2.3180000000e-04 -3.6021000000e-03 -9.3780000000e-04 -3.7649000000e-03  4.3550000000e-04
-
-JOB 0
-COORDS -1.7379000000e-02 -3.5221000000e-01  1.2339910000e+00  7.3173500000e-01  1.5143800000e-01  1.5524240000e+00  3.4931800000e-01 -1.2041400000e+00  9.9739200000e-01 -1.0334200000e-01  3.7150600000e-01 -1.2843150000e+00 -1.2733900000e-01  2.4740600000e-01 -3.3549800000e-01  8.2003100000e-01  5.2726000000e-01 -1.4826970000e+00
-ENERGY -1.526562766396e+02
-FORCES  2.9600000000e-03 -7.0740000000e-04 -7.9564000000e-03 -3.9162000000e-03 -2.3550000000e-03 -5.5801000000e-03 -1.1359000000e-03  6.6688000000e-03 -1.9800000000e-05  7.1120000000e-04 -4.0340000000e-03  2.0341600000e-02  3.5570000000e-03  1.7491000000e-03 -9.6886000000e-03 -2.1762000000e-03 -1.3215000000e-03  2.9032000000e-03
-
-JOB 1
-COORDS  2.1183300000e-01 -1.3708500000e-01  1.3497820000e+00  7.2738300000e-01 -9.1130300000e-01  1.1238900000e+00  7.0000000000e-03  2.6896700000e-01  5.0752500000e-01 -1.9917000000e-01  1.5760500000e-01 -1.2311250000e+00 -9.5495400000e-01 -3.7308400000e-01 -1.4829040000e+00 -6.6619000000e-02  7.5204100000e-01 -1.9695740000e+00
-ENERGY -1.526586280963e+02
-FORCES  2.6830000000e-04  8.9410000000e-04 -1.8360300000e-02 -1.5108000000e-03  8.2110000000e-04  1.6165000000e-03 -9.4430000000e-04  1.0600000000e-05  6.4073000000e-03 -7.3700000000e-04 -1.1300000000e-03  6.5901000000e-03  4.4500000000e-03  3.2536000000e-03  3.0260000000e-04 -1.5262000000e-03 -3.8494000000e-03  3.4437000000e-03
-
-JOB 2
-COORDS  2.1412700000e-01 -1.1148400000e+00  5.3769200000e-01 -3.4785800000e-01 -1.3477100000e+00  1.2767290000e+00  9.1415000000e-01 -1.7674880000e+00  5.5352900000e-01 -2.2968500000e-01  1.1867170000e+00 -6.3484700000e-01 -6.3632000000e-02  2.7264400000e-01 -4.0434800000e-01 -2.7534400000e-01  1.6417740000e+00  2.0602700000e-01
-ENERGY -1.526578303590e+02
-FORCES -1.8029000000e-03  8.2135000000e-03 -3.6562000000e-03  4.2520000000e-03  5.8140000000e-04 -2.9565000000e-03 -4.3502000000e-03  2.6643000000e-03  1.4352000000e-03  4.3096000000e-03 -1.5131400000e-02  1.0505100000e-02 -1.6621000000e-03  4.4755000000e-03 -3.6672000000e-03 -7.4640000000e-04 -8.0330000000e-04 -1.6604000000e-03
-
-JOB 3
-COORDS  4.0560800000e-01 -6.4421400000e-01 -1.1306970000e+00  6.1578700000e-01  1.4780700000e-01 -1.6254290000e+00  4.0960600000e-01 -3.6366500000e-01 -2.1554200000e-01 -3.5596400000e-01  5.6280800000e-01  1.1379770000e+00 -1.1479680000e+00  4.7690000000e-02  9.8430700000e-01 -5.7852400000e-01  1.4421470000e+00  8.3226000000e-01
-ENERGY -1.526574603340e+02
-FORCES -1.1095000000e-03  1.0835300000e-02  1.3956500000e-02 -1.4042000000e-03 -1.6407000000e-03  1.4921000000e-03 -1.5332000000e-03 -6.2379000000e-03 -6.6042000000e-03 -3.5842000000e-03 -4.8940000000e-04 -9.2893000000e-03  6.3203000000e-03  2.0949000000e-03 -3.0420000000e-04  1.3107000000e-03 -4.5622000000e-03  7.4910000000e-04
-
-JOB 4
-COORDS -2.4308000000e-02  1.2807390000e+00  1.8176100000e-01 -8.3292300000e-01  1.1837140000e+00  6.8471300000e-01  5.3935800000e-01  1.8210240000e+00  7.3548100000e-01  7.7124000000e-02 -1.3570280000e+00 -2.2722800000e-01 -7.2299700000e-01 -1.4044140000e+00 -7.5048000000e-01  1.8364600000e-01 -4.2530000000e-01 -3.5477000000e-02
-ENERGY -1.526585022074e+02
-FORCES  1.0110000000e-04 -4.5177000000e-03  2.2899000000e-03  5.4895000000e-03 -1.7876000000e-03 -3.4694000000e-03 -3.8779000000e-03 -3.1318000000e-03 -2.2784000000e-03  7.4000000000e-05  1.7474800000e-02 -5.8660000000e-04  1.3821000000e-03  1.0033000000e-03  2.5590000000e-03 -3.1688000000e-03 -9.0411000000e-03  1.4855000000e-03
-
-JOB 5
-COORDS  9.8079000000e-02  1.2469430000e+00  3.1958200000e-01 -6.4636700000e-01  1.8461500000e+00  2.6496500000e-01  4.2618100000e-01  1.3526010000e+00  1.2125650000e+00 -1.2163500000e-01 -1.3443140000e+00 -3.6602400000e-01  7.4210400000e-01 -1.3336650000e+00 -7.7842300000e-01 -2.2519400000e-01 -4.6462400000e-01 -3.1830000000e-03
-ENERGY -1.526596996676e+02
-FORCES -1.2377000000e-03 -2.8892000000e-03  1.9460000000e-04  4.0273000000e-03 -3.7319000000e-03  1.3007000000e-03 -2.5475000000e-03 -1.1603000000e-03 -5.1104000000e-03  3.7564000000e-03  1.7216400000e-02  2.1341000000e-03 -1.7749000000e-03 -8.9850000000e-04  1.2296000000e-03 -2.2236000000e-03 -8.5364000000e-03  2.5150000000e-04
-
-JOB 6
-COORDS  9.6846000000e-01 -9.2348700000e-01  4.2105000000e-02  8.7887100000e-01 -1.3242160000e+00 -8.2254600000e-01  3.4703600000e-01 -1.3996600000e+00  5.9285300000e-01 -9.6566500000e-01  9.6245700000e-01  3.1941000000e-02 -6.9123000000e-02  6.6863100000e-01 -1.2964400000e-01 -1.2122690000e+00  1.4305030000e+00 -7.6577500000e-01
-ENERGY -1.526591668506e+02
-FORCES -9.2673000000e-03 -1.7836000000e-03  3.8330000000e-04 -2.0570000000e-04  3.4566000000e-03  3.6624000000e-03  4.1981000000e-03  1.7081000000e-03 -3.1492000000e-03  1.0663100000e-02 -6.4111000000e-03 -1.1745000000e-03 -7.9474000000e-03  6.2522000000e-03 -1.4119000000e-03  2.5591000000e-03 -3.2222000000e-03  1.6898000000e-03
-
-JOB 7
-COORDS -1.1911410000e+00 -5.5270100000e-01 -6.0584000000e-02 -1.9963900000e+00 -3.2398600000e-01  4.0363100000e-01 -1.3636330000e+00 -3.1519000000e-01 -9.7166400000e-01  1.2656630000e+00  5.1480100000e-01  1.4252000000e-02  4.3982000000e-01  2.0526300000e-01  3.8627500000e-01  1.6575830000e+00  1.0451480000e+00  7.0805600000e-01
-ENERGY -1.526599239296e+02
-FORCES  2.0281000000e-03  3.6679000000e-03 -4.7512000000e-03  4.5266000000e-03 -1.1920000000e-04 -2.2050000000e-03 -1.0581000000e-03 -1.4718000000e-03  5.2780000000e-03 -1.1028800000e-02 -5.0313000000e-03  1.7349000000e-03  9.1393000000e-03  5.1151000000e-03  1.1624000000e-03 -3.6071000000e-03 -2.1607000000e-03 -1.2192000000e-03
-
-JOB 8
-COORDS  7.5998100000e-01 -3.0012000000e-02  1.1291840000e+00  5.4184400000e-01  1.9065800000e-01  2.0346970000e+00 -8.5387000000e-02 -7.2596000000e-02  6.8222800000e-01 -7.6023300000e-01  1.8365000000e-02 -1.1342240000e+00 -2.5083300000e-01  8.1955800000e-01 -1.2560140000e+00 -1.6604100000e-01 -6.8564500000e-01 -1.3941060000e+00
-ENERGY -1.526604238299e+02
-FORCES -8.4649000000e-03 -3.8590000000e-04 -6.0064000000e-03 -1.2666000000e-03 -2.8060000000e-04 -4.3134000000e-03  7.7811000000e-03  3.6650000000e-04  6.6557000000e-03  8.8169000000e-03  8.8960000000e-04 -8.6830000000e-04 -3.3365000000e-03 -4.1426000000e-03  1.8153000000e-03 -3.5300000000e-03  3.5530000000e-03  2.7171000000e-03
-
-JOB 9
-COORDS -6.9958000000e-02 -1.1797650000e+00 -5.3290800000e-01  5.0456200000e-01 -1.8776480000e+00 -2.1807700000e-01 -2.4367100000e-01 -1.4058280000e+00 -1.4466650000e+00  7.4248000000e-02  1.2708290000e+00  6.2890700000e-01 -4.1674700000e-01  1.6215560000e+00 -1.1415900000e-01  1.5487000000e-01  3.3528400000e-01  4.4320300000e-01
-ENERGY -1.526580671778e+02
-FORCES  8.4890000000e-04  4.6092000000e-03 -1.1631000000e-03 -2.7370000000e-03  4.5706000000e-03 -1.5314000000e-03  1.0920000000e-03 -2.5840000000e-04  4.5187000000e-03 -3.1040000000e-03 -1.2847100000e-02 -9.8929000000e-03  1.0916000000e-03  5.8090000000e-04  1.7324000000e-03  2.8085000000e-03  3.3448000000e-03  6.3364000000e-03
-
-JOB 10
-COORDS  6.9894600000e-01  8.9191100000e-01  6.8623400000e-01  1.5492110000e+00  4.6333100000e-01  5.8825100000e-01  8.4666400000e-01  1.7892460000e+00  3.8756800000e-01 -7.5553300000e-01 -9.6535500000e-01 -7.1018400000e-01 -1.5475310000e+00 -5.3815200000e-01 -3.8388900000e-01 -4.7636000000e-02 -5.9145900000e-01 -1.8547900000e-01
-ENERGY -1.526562770668e+02
-FORCES -8.0470000000e-04  9.4810000000e-04 -5.9264000000e-03 -7.4184000000e-03 -4.5560000000e-04 -1.7723000000e-03  1.5530000000e-04 -4.1174000000e-03  2.4803000000e-03  3.6769000000e-03  1.3057900000e-02  9.2893000000e-03  5.4140000000e-04 -1.9671000000e-03 -2.1499000000e-03  3.8494000000e-03 -7.4660000000e-03 -1.9211000000e-03
-
-JOB 11
-COORDS -4.8024200000e-01 -1.1491280000e+00  6.3436600000e-01 -2.3494100000e-01 -1.9903050000e+00  2.4903300000e-01  5.7328000000e-02 -5.0694300000e-01  1.7084800000e-01  4.6754500000e-01  1.0991720000e+00 -5.7509700000e-01  3.3079700000e-01  1.7723120000e+00  9.1547000000e-02  3.9961000000e-02  1.4463540000e+00 -1.3579570000e+00
-ENERGY -1.526607554469e+02
-FORCES  5.6493000000e-03  9.2582000000e-03 -7.1778000000e-03 -2.1160000000e-04  3.6396000000e-03 -2.7660000000e-04 -2.2449000000e-03 -8.3895000000e-03  5.9756000000e-03 -6.0538000000e-03 -9.1560000000e-04  1.5981000000e-03  4.6570000000e-04 -3.2529000000e-03 -4.0416000000e-03  2.3952000000e-03 -3.3980000000e-04  3.9222000000e-03
-
-JOB 12
-COORDS  8.5029900000e-01 -2.3436000000e-01  1.1034020000e+00  9.8391400000e-01 -1.1685700000e+00  1.2634990000e+00  2.4112300000e-01 -2.0200300000e-01  3.6577800000e-01 -7.8589300000e-01  3.0367900000e-01 -1.0120020000e+00 -5.9766800000e-01 -3.1231600000e-01 -1.7200650000e+00 -1.6331880000e+00  6.8400500000e-01 -1.2436830000e+00
-ENERGY -1.526591977491e+02
-FORCES -8.4195000000e-03  1.7343000000e-03 -8.2719000000e-03 -1.2801000000e-03  2.7150000000e-03 -2.3040000000e-03  7.1659000000e-03 -4.9361000000e-03  4.4907000000e-03 -5.7840000000e-04  6.5410000000e-04  2.1931000000e-03 -1.1147000000e-03  2.2902000000e-03  5.0779000000e-03  4.2267000000e-03 -2.4576000000e-03 -1.1858000000e-03
-
-JOB 13
-COORDS -1.1946820000e+00 -7.5573800000e-01  1.2805300000e-01 -3.2466500000e-01 -4.2327200000e-01 -9.2787000000e-02 -1.0350990000e+00 -1.6329080000e+00  4.7638800000e-01  1.0766810000e+00  7.7791900000e-01 -1.7124400000e-01  1.1265380000e+00  8.8238300000e-01  7.7893100000e-01  1.9843280000e+00  8.4419900000e-01 -4.6791800000e-01
-ENERGY -1.526600776194e+02
-FORCES  9.7561000000e-03  3.3102000000e-03 -3.3975000000e-03 -7.4285000000e-03 -4.4876000000e-03  5.3905000000e-03  8.7320000000e-04  3.4287000000e-03 -7.8460000000e-04  8.4380000000e-04  2.4620000000e-04  1.6490000000e-03  2.4400000000e-05 -2.7113000000e-03 -5.7202000000e-03 -4.0690000000e-03  2.1380000000e-04  2.8628000000e-03
-
-JOB 14
-COORDS -9.4418100000e-01 -1.0946840000e+00 -7.8325000000e-02 -1.3737510000e+00 -6.3539200000e-01  6.4330700000e-01 -1.4974800000e-01 -5.8784800000e-01 -2.4632800000e-01  9.1270000000e-01  9.6886600000e-01  2.0367000000e-02  6.9553100000e-01  1.7816010000e+00 -4.3628700000e-01  1.2648730000e+00  1.2540570000e+00  8.6349900000e-01
-ENERGY -1.526595692400e+02
-FORCES  8.1092000000e-03  1.1756500000e-02  2.8309000000e-03 -1.7470000000e-04 -1.9135000000e-03 -1.2034000000e-03 -4.0017000000e-03 -6.4342000000e-03 -2.0473000000e-03 -2.6565000000e-03  3.6490000000e-04  1.2884000000e-03  1.2244000000e-03 -3.5242000000e-03  3.2900000000e-03 -2.5008000000e-03 -2.4950000000e-04 -4.1586000000e-03
-
-JOB 15
-COORDS  5.6236700000e-01  9.5544900000e-01 -8.9526600000e-01  3.1818000000e-01  1.7234000000e-01 -4.0196600000e-01 -5.7519000000e-02  9.8296000000e-01 -1.6241120000e+00 -4.8722100000e-01 -8.8449500000e-01  8.6532200000e-01 -6.0029800000e-01 -6.2297500000e-01  1.7791350000e+00 -9.2706700000e-01 -1.7323010000e+00  8.0214300000e-01
-ENERGY -1.526604070833e+02
-FORCES -6.8899000000e-03 -8.6958000000e-03  6.1790000000e-03  4.0166000000e-03  5.1890000000e-03 -5.7954000000e-03  1.5709000000e-03 -6.2270000000e-04  2.0322000000e-03  3.3470000000e-04  2.9286000000e-03  4.1780000000e-04 -4.2410000000e-04 -3.1957000000e-03 -3.9250000000e-03  1.3919000000e-03  4.3965000000e-03  1.0915000000e-03
-
-JOB 16
-COORDS -4.4627200000e-01 -1.3295640000e+00  2.0244400000e-01 -1.0134600000e-01 -2.0425560000e+00 -3.3504900000e-01 -5.8282200000e-01 -6.0938500000e-01 -4.1312800000e-01  3.9141000000e-01  1.3631840000e+00 -1.0817400000e-01  7.4491500000e-01  1.4587810000e+00 -9.9255400000e-01  8.4508000000e-01  6.0043000000e-01  2.5046500000e-01
-ENERGY -1.526575554339e+02
-FORCES -2.6228000000e-03  4.0235000000e-03 -4.3857000000e-03 -2.6380000000e-04  4.7871000000e-03  1.6810000000e-03  4.1469000000e-03 -6.5252000000e-03  2.0285000000e-03  4.9320000000e-03 -4.0847000000e-03  2.3056000000e-03 -3.2358000000e-03 -2.8274000000e-03  3.4799000000e-03 -2.9564000000e-03  4.6268000000e-03 -5.1094000000e-03
-
-JOB 17
-COORDS  7.1823500000e-01  8.6681600000e-01 -8.6560000000e-01  3.3353100000e-01  5.3915000000e-02 -1.1933600000e+00  7.4028000000e-02  1.5411810000e+00 -1.0811470000e+00 -7.2146500000e-01 -8.7182100000e-01  8.7079500000e-01 -2.5540300000e-01 -1.3912860000e+00  1.5259090000e+00 -1.1850600000e-01 -1.6029500000e-01  6.5538400000e-01
-ENERGY -1.526604317106e+02
-FORCES -4.7749000000e-03 -1.2986000000e-03 -4.9253000000e-03  2.1437000000e-03  4.9786000000e-03  5.6202000000e-03  2.8468000000e-03 -3.7879000000e-03  1.8885000000e-03  6.4740000000e-03  5.5507000000e-03  1.5750000000e-04 -7.7410000000e-04  2.5091000000e-03 -2.8288000000e-03 -5.9155000000e-03 -7.9518000000e-03  8.7900000000e-05
-
-JOB 18
-COORDS  5.1876200000e-01 -3.2970000000e-02  1.2653190000e+00  3.1017200000e-01  7.7097900000e-01  1.7411220000e+00  2.8909000000e-02 -7.1645000000e-01  1.7226280000e+00 -4.7092300000e-01  4.5838000000e-02 -1.3862670000e+00 -1.2143340000e+00 -2.0069200000e-01 -8.3599800000e-01  2.9152800000e-01 -4.6316000000e-02 -8.1494500000e-01
-ENERGY -1.526579891838e+02
-FORCES -3.7310000000e-03  1.6902000000e-03  8.3910000000e-04  3.8940000000e-04 -4.4481000000e-03 -1.7210000000e-03  1.1186000000e-03  3.7476000000e-03 -2.9625000000e-03  3.1456000000e-03 -9.5350000000e-04  1.3462900000e-02 -1.9400000000e-04  1.3650000000e-04 -2.3963000000e-03 -7.2860000000e-04 -1.7270000000e-04 -7.2222000000e-03
-
-JOB 19
-COORDS  8.6882200000e-01 -1.0204890000e+00  5.5128000000e-01  1.7426640000e+00 -6.3066300000e-01  5.2544500000e-01  2.7325500000e-01 -2.8383600000e-01  4.1389500000e-01 -8.5755300000e-01  8.9483900000e-01 -5.6084200000e-01 -1.6815060000e+00  1.1057200000e+00 -1.2168000000e-01 -4.3565600000e-01  1.7427770000e+00 -6.9953100000e-01
-ENERGY -1.526594129274e+02
-FORCES -5.7679000000e-03  9.3089000000e-03 -5.4817000000e-03 -2.9947000000e-03 -2.3090000000e-04 -2.9990000000e-04  6.3008000000e-03 -5.6604000000e-03  6.1927000000e-03 -1.0525000000e-03  2.4242000000e-03 -4.3690000000e-04  5.1910000000e-03 -1.0091000000e-03 -1.7784000000e-03 -1.6768000000e-03 -4.8328000000e-03  1.8043000000e-03
-
-JOB 20
-COORDS -6.2737400000e-01 -3.5557400000e-01  1.2379330000e+00 -6.9161900000e-01  2.8971500000e-01  1.9419970000e+00 -2.3381400000e-01  1.2339000000e-01  5.0859400000e-01  5.5258200000e-01  3.2838600000e-01 -1.2314590000e+00  7.2353300000e-01 -6.0817300000e-01 -1.3307790000e+00  1.4188620000e+00  7.3465900000e-01 -1.2585510000e+00
-ENERGY -1.526613397564e+02
-FORCES  3.4434000000e-03  5.8784000000e-03 -7.9112000000e-03  1.1433000000e-03 -1.1356000000e-03 -3.1532000000e-03 -3.2897000000e-03 -4.5486000000e-03  9.7315000000e-03  3.6873000000e-03 -3.8371000000e-03 -1.0052000000e-03 -6.3530000000e-04  5.9055000000e-03  1.5014000000e-03 -4.3490000000e-03 -2.2626000000e-03  8.3680000000e-04
-
-JOB 21
-COORDS  1.0910600000e-01 -1.2690550000e+00 -4.9297500000e-01 -1.0775200000e-01 -9.2473400000e-01 -1.3593740000e+00  5.5147000000e-01 -2.0995370000e+00 -6.6860600000e-01 -1.8269500000e-01  1.3178170000e+00  5.2728900000e-01  2.1817200000e-01  1.6619390000e+00  1.3254860000e+00  4.4406100000e-01  6.7074900000e-01  2.0369600000e-01
-ENERGY -1.526575219933e+02
-FORCES -2.1819000000e-03 -1.4831000000e-03 -3.4316000000e-03  3.3206000000e-03 -9.1870000000e-04  5.0351000000e-03 -2.4347000000e-03  4.0572000000e-03  8.8350000000e-04  3.4480000000e-03 -8.1204000000e-03  9.0180000000e-04 -9.5610000000e-04 -1.9240000000e-03 -2.6380000000e-03 -1.1960000000e-03  8.3890000000e-03 -7.5090000000e-04
-
-JOB 22
-COORDS -7.4307700000e-01  1.2118790000e+00 -3.4628300000e-01 -4.4929700000e-01  1.3506550000e+00 -1.2466520000e+00 -3.6571400000e-01  3.6794100000e-01 -9.8097000000e-02  6.7399400000e-01 -1.1143700000e+00  3.8635000000e-01  4.5433900000e-01 -1.8474990000e+00 -1.8854700000e-01  1.4455340000e+00 -1.4107920000e+00  8.6914600000e-01
-ENERGY -1.526601091215e+02
-FORCES  7.5704000000e-03 -8.1060000000e-03  1.4440000000e-03 -9.6010000000e-04 -9.8200000000e-04  2.4087000000e-03 -6.4436000000e-03  5.0027000000e-03 -4.2758000000e-03  2.0582000000e-03  3.5580000000e-04  1.2095000000e-03  1.2930000000e-03  4.5201000000e-03  2.4084000000e-03 -3.5180000000e-03 -7.9060000000e-04 -3.1948000000e-03
-
-JOB 23
-COORDS  2.4066900000e-01 -8.5756500000e-01  1.1555620000e+00  2.3952000000e-02 -4.2853600000e-01  3.2779400000e-01 -4.2876400000e-01 -1.5340680000e+00  1.2577090000e+00 -2.1149300000e-01  8.6782000000e-01 -1.0463650000e+00 -5.2077200000e-01  4.2912300000e-01 -1.8389080000e+00  5.4064400000e-01  1.3842480000e+00 -1.3358890000e+00
-ENERGY -1.526606946248e+02
-FORCES -3.6484000000e-03  6.1111000000e-03 -8.0914000000e-03  1.0851000000e-03 -8.6888000000e-03  6.9663000000e-03  1.6534000000e-03  2.4939000000e-03 -1.7886000000e-03  3.3204000000e-03  1.6423000000e-03 -2.2664000000e-03  1.9535000000e-03  1.1273000000e-03  4.9782000000e-03 -4.3640000000e-03 -2.6859000000e-03  2.0200000000e-04
-
-JOB 24
-COORDS -3.0266100000e-01 -1.3083910000e+00  5.4622000000e-01 -1.1092650000e+00 -1.5974900000e+00  9.7288600000e-01 -3.8129900000e-01 -3.5532100000e-01  5.0493700000e-01  2.8100200000e-01  1.2705110000e+00 -5.8075200000e-01  7.4099600000e-01  1.8914610000e+00 -1.5900000000e-02  9.6725900000e-01  6.8750900000e-01 -9.0539400000e-01
-ENERGY -1.526610010987e+02
-FORCES -2.5206000000e-03  7.5086000000e-03 -1.5708000000e-03  2.4977000000e-03  2.3729000000e-03 -1.3355000000e-03  5.2150000000e-04 -9.3797000000e-03  3.9317000000e-03  6.0738000000e-03 -1.8460000000e-04 -2.2709000000e-03 -2.5798000000e-03 -3.9833000000e-03 -1.8589000000e-03 -3.9926000000e-03  3.6661000000e-03  3.1044000000e-03
-
-JOB 25
-COORDS  6.7292300000e-01  1.1394560000e+00 -4.8039000000e-01  1.1723950000e+00  1.4548490000e+00  2.7279500000e-01  1.3380090000e+00  8.9092300000e-01 -1.1223600000e+00 -7.1014200000e-01 -1.1981190000e+00  5.0687400000e-01 -1.5940950000e+00 -8.3937900000e-01  4.2835400000e-01 -1.5798000000e-01 -5.8376700000e-01  2.3222000000e-02
-ENERGY -1.526609808854e+02
-FORCES  4.0534000000e-03  2.2687000000e-03  2.1074000000e-03 -2.0971000000e-03 -1.8153000000e-03 -4.5144000000e-03 -3.9841000000e-03 -4.2050000000e-04  4.2822000000e-03  2.0027000000e-03  1.0910400000e-02 -4.8184000000e-03  2.2325000000e-03 -1.5441000000e-03  6.5430000000e-04 -2.2075000000e-03 -9.3992000000e-03  2.2889000000e-03
-
-JOB 26
-COORDS -1.8089700000e-01 -3.8269200000e-01  1.4262900000e+00 -1.8369800000e-01 -1.7103100000e-01  4.9279000000e-01  4.9772100000e-01  1.8075800000e-01  1.7980900000e+00  1.4051700000e-01  3.6157500000e-01 -1.3361260000e+00 -4.7889500000e-01  5.4790800000e-01 -2.0417040000e+00  7.7978000000e-01 -2.3291900000e-01 -1.7287480000e+00
-ENERGY -1.526617982574e+02
-FORCES  2.1633000000e-03  5.4770000000e-03 -9.2991000000e-03 -1.4840000000e-04 -3.8807000000e-03  9.1981000000e-03 -1.6210000000e-03 -1.9820000000e-03 -9.8420000000e-04 -6.5390000000e-04 -1.4023000000e-03 -3.3224000000e-03  3.8857000000e-03 -1.3572000000e-03  2.5155000000e-03 -3.6257000000e-03  3.1452000000e-03  1.8922000000e-03
-
-JOB 27
-COORDS -2.0773900000e-01 -2.4922600000e-01 -1.3562630000e+00 -7.9119000000e-02  4.3752600000e-01 -2.0105270000e+00 -1.1060330000e+00 -5.4876900000e-01 -1.4961690000e+00  2.1382600000e-01  1.8608100000e-01  1.4454490000e+00  8.8640200000e-01  8.2352600000e-01  1.6853170000e+00  1.8185300000e-01  2.1922100000e-01  4.8935700000e-01
-ENERGY -1.526612201665e+02
-FORCES -4.1211000000e-03 -1.4220000000e-04 -2.2361000000e-03 -7.7880000000e-04 -3.0332000000e-03  3.8659000000e-03  4.6751000000e-03  2.1505000000e-03 -3.3320000000e-04  7.2980000000e-04 -4.1090000000e-04 -9.7932000000e-03 -2.0849000000e-03 -1.6721000000e-03 -2.1340000000e-03  1.5799000000e-03  3.1079000000e-03  1.0630600000e-02
-
-JOB 28
-COORDS -1.6713600000e-01 -1.0130080000e+00 -9.3509400000e-01 -1.0102990000e+00 -1.4605350000e+00 -1.0060020000e+00  4.8171100000e-01 -1.6941500000e+00 -1.1119410000e+00  2.3565500000e-01  1.0867440000e+00  9.7931200000e-01 -4.9214300000e-01  1.7045560000e+00  9.0966200000e-01 -7.7997000000e-02  2.9596600000e-01  5.4053700000e-01
-ENERGY -1.526601204534e+02
-FORCES  2.0273000000e-03 -3.4737000000e-03 -1.4658000000e-03  4.2161000000e-03  2.8191000000e-03  1.2313000000e-03 -4.2169000000e-03  2.5217000000e-03  2.7260000000e-04 -3.1157000000e-03 -5.8875000000e-03 -7.7170000000e-03  1.7229000000e-03 -2.5353000000e-03 -2.2400000000e-05 -6.3360000000e-04  6.5556000000e-03  7.7012000000e-03
-
-JOB 29
-COORDS -1.0036240000e+00 -6.4482200000e-01 -8.9587500000e-01 -1.7727030000e+00 -7.6382000000e-02 -9.3618400000e-01 -3.7002500000e-01 -1.5455300000e-01 -3.7202200000e-01  9.7335100000e-01  5.7836300000e-01  8.0624000000e-01  1.0324860000e+00 -1.1612000000e-01  1.4623100000e+00  1.5206800000e+00  1.2830660000e+00  1.1527310000e+00
-ENERGY -1.526611017350e+02
-FORCES  4.2370000000e-03  7.2627000000e-03  4.2748000000e-03  2.3845000000e-03 -1.5569000000e-03  1.7730000000e-04 -6.0933000000e-03 -6.5469000000e-03 -2.8736000000e-03  1.9656000000e-03  8.0490000000e-04  1.8878000000e-03 -5.6150000000e-04  4.0597000000e-03 -3.5852000000e-03 -1.9324000000e-03 -4.0235000000e-03  1.1890000000e-04
-
-JOB 30
-COORDS  1.3097440000e+00  3.3084500000e-01  3.7946900000e-01  1.4452990000e+00  1.1290560000e+00 -1.3113500000e-01  1.6463740000e+00  5.4281400000e-01  1.2500910000e+00 -1.3933940000e+00 -4.2077900000e-01 -3.8452000000e-01 -1.0711420000e+00 -2.2894300000e-01 -1.2651930000e+00 -7.2348200000e-01 -6.4553000000e-02  1.9904900000e-01
-ENERGY -1.526587586000e+02
-FORCES  3.3102000000e-03  2.9881000000e-03  5.1370000000e-04 -2.0170000000e-03 -4.3539000000e-03  2.3897000000e-03 -2.5492000000e-03 -7.1380000000e-04 -4.4851000000e-03  1.1741400000e-02  2.1007000000e-03  7.1320000000e-04 -1.8940000000e-03  1.4680000000e-04  1.7730000000e-03 -8.5914000000e-03 -1.6810000000e-04 -9.0460000000e-04
-
-JOB 31
-COORDS  5.2668200000e-01 -1.6300500000e-01  1.3721580000e+00  1.4885300000e-01  1.3263500000e-01  5.4386200000e-01  6.4009100000e-01  6.3806500000e-01  1.8836830000e+00 -4.5371400000e-01  8.2647000000e-02 -1.3116380000e+00 -1.1956430000e+00 -4.7940200000e-01 -1.5349640000e+00 -6.3920900000e-01  9.1155900000e-01 -1.7529190000e+00
-ENERGY -1.526609160604e+02
-FORCES -2.9260000000e-03  2.8234000000e-03 -8.4643000000e-03  3.0653000000e-03  4.4420000000e-04  1.0584300000e-02 -8.0720000000e-04 -1.9019000000e-03 -2.8245000000e-03 -3.2555000000e-03 -1.0715000000e-03 -2.4163000000e-03  3.4011000000e-03  3.7111000000e-03  2.6120000000e-04  5.2230000000e-04 -4.0053000000e-03  2.8595000000e-03
-
-JOB 32
-COORDS  6.4286000000e-01 -1.2507740000e+00 -4.4431600000e-01  1.1986400000e+00 -1.7222510000e+00  1.7620800000e-01  1.6951900000e-01 -6.1509800000e-01  9.2431000000e-02 -6.4432900000e-01  1.1801480000e+00  3.9562600000e-01 -1.1775400000e-01  1.8851610000e+00  7.7233100000e-01 -1.2267490000e+00  1.6201740000e+00 -2.2356400000e-01
-ENERGY -1.526607196436e+02
-FORCES -3.5315000000e-03  6.5516000000e-03  4.5733000000e-03 -1.8824000000e-03  2.7625000000e-03 -1.3133000000e-03  4.6251000000e-03 -9.0771000000e-03 -1.5718000000e-03  8.6670000000e-04  3.2017000000e-03 -3.6157000000e-03 -2.8214000000e-03 -2.8631000000e-03 -1.6670000000e-03  2.7435000000e-03 -5.7560000000e-04  3.5946000000e-03
-
-JOB 33
-COORDS -6.1543200000e-01 -1.3432140000e+00 -2.3864800000e-01 -1.6763200000e-01 -5.0444100000e-01 -1.2834800000e-01 -4.6694100000e-01 -1.8048830000e+00  5.8660600000e-01  6.3428000000e-01  1.2877590000e+00  1.6073900000e-01  6.5093000000e-01  1.9860340000e+00  8.1523700000e-01 -2.8962900000e-01  1.2007300000e+00 -7.3887000000e-02
-ENERGY -1.526549814382e+02
-FORCES  7.2989000000e-03  2.7143000000e-03  5.3486000000e-03 -9.4241000000e-03  3.6531000000e-03 -3.4291000000e-03 -1.1483000000e-03  1.1201000000e-03 -2.9451000000e-03 -3.4678000000e-03  4.1132000000e-03  2.7563000000e-03 -2.5110000000e-04 -2.8781000000e-03 -3.6061000000e-03  6.9926000000e-03 -8.7226000000e-03  1.8754000000e-03
-
-JOB 34
-COORDS -1.1717970000e+00  2.7933500000e-01  9.0340700000e-01 -7.2901200000e-01  6.3218100000e-01  1.6752060000e+00 -4.8597300000e-01  2.2305000000e-01  2.3804300000e-01  1.0873500000e+00 -2.7294800000e-01 -8.3927100000e-01  8.4324600000e-01 -1.1099450000e+00 -1.2343400000e+00  1.5636410000e+00  1.8842500000e-01 -1.5295710000e+00
-ENERGY -1.526617352758e+02
-FORCES  9.8883000000e-03  1.9930000000e-04 -3.5724000000e-03 -1.5523000000e-03 -7.6740000000e-04 -2.1008000000e-03 -8.5423000000e-03  8.9200000000e-05  4.9738000000e-03  1.1775000000e-03 -1.4905000000e-03 -3.8193000000e-03  9.9880000000e-04  5.0907000000e-03  1.5561000000e-03 -1.9700000000e-03 -3.1213000000e-03  2.9626000000e-03
-
-JOB 35
-COORDS -1.2680750000e+00  2.8934200000e-01 -6.6145400000e-01 -7.0417000000e-01  8.2330500000e-01 -1.2210310000e+00 -1.3695550000e+00 -5.3405000000e-01 -1.1389050000e+00  1.2630090000e+00 -2.8955700000e-01  7.7853600000e-01  1.8299870000e+00 -2.4055000000e-02  5.4467000000e-02  3.8074000000e-01 -2.8301500000e-01  4.0733500000e-01
-ENERGY -1.526582380983e+02
-FORCES -1.1295000000e-03  1.1723000000e-03 -5.9091000000e-03 -8.4880000000e-04 -4.4501000000e-03  4.0565000000e-03  2.8060000000e-03  4.2084000000e-03  3.7926000000e-03 -7.5828000000e-03  2.5437000000e-03 -5.2580000000e-03 -2.7315000000e-03 -4.9750000000e-04  1.6118000000e-03  9.4866000000e-03 -2.9767000000e-03  1.7061000000e-03
-
-JOB 36
-COORDS  4.7200400000e-01  1.4076370000e+00  7.4566000000e-02 -1.3046500000e-01  2.1453550000e+00 -2.0482000000e-02 -5.1257000000e-02  6.3945100000e-01 -1.5417000000e-01 -3.4905200000e-01 -1.3738620000e+00 -8.1317000000e-02 -1.1979880000e+00 -1.5034420000e+00 -5.0410300000e-01 -4.4210800000e-01 -1.7890370000e+00  7.7612200000e-01
-ENERGY -1.526595149598e+02
-FORCES -3.6838000000e-03 -7.1054000000e-03 -1.1274000000e-03  1.0636000000e-03 -3.8289000000e-03  1.3730000000e-04  3.2520000000e-04  1.0741100000e-02 -6.9530000000e-04 -1.3753000000e-03 -4.0549000000e-03  3.9977000000e-03  4.2002000000e-03  3.0499000000e-03  2.4805000000e-03 -5.2980000000e-04  1.1982000000e-03 -4.7928000000e-03
-
-JOB 37
-COORDS -2.8305600000e-01  1.7415100000e-01  1.4977910000e+00 -8.1031000000e-01  7.5596900000e-01  9.5032100000e-01  2.5880900000e-01 -3.1340400000e-01  8.7738600000e-01  3.4208600000e-01 -1.9721300000e-01 -1.3905140000e+00 -3.5459500000e-01  4.1182700000e-01 -1.1456920000e+00  9.0013000000e-02 -5.1408100000e-01 -2.2578580000e+00
-ENERGY -1.526548575286e+02
-FORCES  2.0946000000e-03 -1.5602000000e-03 -7.0971000000e-03  1.6976000000e-03 -1.9154000000e-03 -1.0963000000e-03 -3.4390000000e-03  3.3923000000e-03  5.1858000000e-03 -3.7087000000e-03  6.1030000000e-04 -3.7643000000e-03  2.7089000000e-03 -2.7152000000e-03  2.7747000000e-03  6.4660000000e-04  2.1882000000e-03  3.9972000000e-03
-
-JOB 38
-COORDS -1.2131430000e+00 -7.5513500000e-01  3.0979600000e-01 -1.4331320000e+00 -1.4944720000e+00 -2.5696400000e-01 -5.5161800000e-01 -1.1007020000e+00  9.0912900000e-01  1.2524400000e+00  7.9834600000e-01 -3.3632900000e-01  1.0511570000e+00  1.4031990000e+00  3.7772200000e-01  4.0545400000e-01  4.2554100000e-01 -5.8100000000e-01
-ENERGY -1.526600190015e+02
-FORCES  1.5325000000e-03 -5.6085000000e-03  2.4277000000e-03  2.0458000000e-03  3.9373000000e-03  2.1927000000e-03 -3.6397000000e-03  2.2726000000e-03 -3.4670000000e-03 -9.5105000000e-03 -2.3000000000e-04  1.8894000000e-03  1.6574000000e-03 -2.4433000000e-03 -1.6888000000e-03  7.9145000000e-03  2.0720000000e-03 -1.3540000000e-03
-
-JOB 39
-COORDS  2.7491000000e-02  1.4180330000e+00  1.0685900000e-01  2.7640700000e-01  1.8424790000e+00 -7.1418700000e-01  3.0588000000e-02  2.1244480000e+00  7.5276900000e-01 -5.6597000000e-02 -1.5211930000e+00 -4.1670000000e-02  1.1830100000e-01 -5.8012900000e-01 -4.8118000000e-02  1.6397000000e-02 -1.7851460000e+00 -9.5885700000e-01
-ENERGY -1.526601997588e+02
-FORCES  6.4900000000e-05  4.0425000000e-03  1.7206000000e-03 -9.8860000000e-04 -2.6791000000e-03  3.8703000000e-03  7.1800000000e-05 -1.7899000000e-03 -4.2034000000e-03  2.5560000000e-04  8.2346000000e-03 -1.2464000000e-03  6.4510000000e-04 -9.5681000000e-03 -2.7897000000e-03 -4.8800000000e-05  1.7600000000e-03  2.6487000000e-03
-
-JOB 40
-COORDS -3.7510800000e-01 -3.8928500000e-01  1.4463020000e+00  3.0046600000e-01  2.7906800000e-01  1.3316910000e+00 -8.5292100000e-01 -3.9224300000e-01  6.1689400000e-01  3.0788000000e-01  3.6445900000e-01 -1.3730180000e+00  6.3450200000e-01 -5.0066600000e-01 -1.6202200000e+00  1.0218410000e+00  9.6260500000e-01 -1.5937290000e+00
-ENERGY -1.526579654976e+02
-FORCES  2.0046000000e-03  5.5085000000e-03 -9.5623000000e-03 -6.3220000000e-04 -1.8319000000e-03  3.6885000000e-03 -1.0147000000e-03 -3.3887000000e-03  4.4670000000e-03  4.4252000000e-03 -1.5230000000e-03 -1.7081000000e-03 -2.0416000000e-03  4.2048000000e-03  1.3162000000e-03 -2.7413000000e-03 -2.9695000000e-03  1.7987000000e-03
-
-JOB 41
-COORDS  2.2434000000e-01 -3.2552100000e-01  1.4315210000e+00 -2.3648400000e-01  4.7203100000e-01  1.6918720000e+00 -4.2337600000e-01 -1.0223120000e+00  1.5372570000e+00 -2.1431200000e-01  3.2022900000e-01 -1.4621860000e+00  4.4702000000e-01  5.4367500000e-01 -2.1171240000e+00  2.8878300000e-01  1.0568500000e-01 -6.7663000000e-01
-ENERGY -1.526614496038e+02
-FORCES -6.2960000000e-03 -1.6470000000e-04  3.3712000000e-03  2.6164000000e-03 -4.0002000000e-03 -1.7169000000e-03  3.1770000000e-03  3.5371000000e-03 -2.0570000000e-04  4.5780000000e-03 -1.7127000000e-03  4.9497000000e-03 -1.7271000000e-03 -8.7680000000e-04  3.2104000000e-03 -2.3483000000e-03  3.2174000000e-03 -9.6085000000e-03
-
-JOB 42
-COORDS  1.3658900000e-01  9.5967800000e-01 -1.2013810000e+00 -2.8940000000e-02  3.8636700000e-01 -4.5295200000e-01  1.0089400000e-01  1.8446310000e+00 -8.3831500000e-01 -1.1510000000e-01 -9.2005700000e-01  1.0903490000e+00 -6.0142200000e-01 -9.9890000000e-01  1.9110230000e+00  2.4475900000e-01 -1.7941510000e+00  9.3971000000e-01
-ENERGY -1.526615297109e+02
-FORCES -1.0562000000e-03 -2.6077000000e-03  8.4002000000e-03  1.2369000000e-03  5.4994000000e-03 -8.0484000000e-03 -1.5390000000e-04 -2.6178000000e-03 -9.6450000000e-04 -5.3790000000e-04 -3.4933000000e-03  2.2696000000e-03  2.7583000000e-03 -6.4010000000e-04 -3.3024000000e-03 -2.2472000000e-03  3.8595000000e-03  1.6455000000e-03
-
-JOB 43
-COORDS  3.0015000000e-01  1.9641200000e-01  1.5258150000e+00  1.2194240000e+00  6.9748000000e-02  1.2910290000e+00 -1.5512700000e-01  2.6180300000e-01  6.8636300000e-01 -3.6081700000e-01 -1.9106900000e-01 -1.4105530000e+00  2.9047600000e-01 -8.3848200000e-01 -1.6805620000e+00 -3.9349100000e-01  4.3320000000e-01 -2.1354330000e+00
-ENERGY -1.526601267762e+02
-FORCES  1.2810000000e-04 -5.4250000000e-04 -9.4008000000e-03 -2.2294000000e-03 -9.3400000000e-05  1.2401000000e-03  1.7500000000e-03  1.1279000000e-03  8.6798000000e-03  2.1479000000e-03 -1.0122000000e-03 -4.9372000000e-03 -2.5033000000e-03  3.8214000000e-03  1.1706000000e-03  7.0680000000e-04 -3.3012000000e-03  3.2476000000e-03
-
-JOB 44
-COORDS  5.2354600000e-01 -1.6529000000e-02  1.3881550000e+00  3.9055000000e-02 -7.7588200000e-01  1.7120130000e+00  2.5913300000e-01  7.0050100000e-01  1.9645100000e+00 -4.7203600000e-01 -4.4059000000e-02 -1.4600830000e+00 -5.3847400000e-01  3.1474400000e-01 -5.7516600000e-01 -5.2144900000e-01  7.2078300000e-01 -2.0335000000e+00
-ENERGY -1.526577680662e+02
-FORCES  9.8500000000e-05 -2.9315000000e-03  5.5586000000e-03  1.6413000000e-03  4.7161000000e-03 -1.8273000000e-03  2.3890000000e-04 -3.0142000000e-03 -4.5398000000e-03  2.7752000000e-03  3.5583000000e-03  5.4507000000e-03 -5.0706000000e-03 -2.4200000000e-05 -7.4589000000e-03  3.1680000000e-04 -2.3044000000e-03  2.8165000000e-03
-
-JOB 45
-COORDS -8.8180500000e-01 -2.1721800000e-01 -1.2846120000e+00 -6.1749000000e-01 -6.4511900000e-01 -4.7019800000e-01 -1.0787550000e+00  6.8401800000e-01 -1.0292380000e+00  8.5272700000e-01  2.4370000000e-01  1.2012040000e+00  1.4633460000e+00 -3.6959300000e-01  7.9224500000e-01  7.0229500000e-01 -1.1478300000e-01  2.0759000000e+00
-ENERGY -1.526577967925e+02
-FORCES  2.5219000000e-03  4.6638000000e-03  8.7757000000e-03 -1.2899000000e-03 -2.9557000000e-03 -5.0635000000e-03 -1.0329000000e-03 -2.7309000000e-03 -3.0067000000e-03  4.7168000000e-03 -1.9302000000e-03  2.1306000000e-03 -4.8077000000e-03  1.8778000000e-03  2.1106000000e-03 -1.0820000000e-04  1.0753000000e-03 -4.9466000000e-03
-
-JOB 46
-COORDS -3.8729700000e-01 -1.2604700000e+00  8.6188800000e-01 -8.2305400000e-01 -5.1486700000e-01  4.4906200000e-01  3.3926200000e-01 -8.7348800000e-01  1.3503440000e+00  4.2762300000e-01  1.1953320000e+00 -8.1589800000e-01 -4.6365200000e-01  1.5196980000e+00 -6.8687600000e-01  4.5185800000e-01  9.1801200000e-01 -1.7317240000e+00
-ENERGY -1.526548521312e+02
-FORCES  5.1956000000e-03  8.4559000000e-03 -2.7846000000e-03 -3.2102000000e-03 -2.2630000000e-03  1.7191000000e-03 -3.0772000000e-03 -3.0819000000e-03  4.0380000000e-04 -1.7004000000e-03 -3.9590000000e-04 -4.9586000000e-03  3.3509000000e-03 -4.5836000000e-03  1.4042000000e-03 -5.5860000000e-04  1.8686000000e-03  4.2161000000e-03
-
-JOB 47
-COORDS -9.9676000000e-01  1.1046380000e+00 -8.3798000000e-02 -3.7638500000e-01  1.8185380000e+00 -2.3115400000e-01 -1.5626200000e+00  1.4200430000e+00  6.2086900000e-01  9.5486700000e-01 -1.1947960000e+00  2.2469000000e-02  7.4833000000e-01 -2.7503700000e-01  1.8865100000e-01  1.7714270000e+00 -1.3471320000e+00  4.9813200000e-01
-ENERGY -1.526566640697e+02
-FORCES -3.9188000000e-03  4.5299000000e-03  1.5368000000e-03 -8.7490000000e-04 -5.8324000000e-03  2.0914000000e-03  2.9222000000e-03 -9.6360000000e-04 -3.5392000000e-03 -2.1460000000e-03  4.8380000000e-03  1.7975000000e-03  7.5893000000e-03 -4.1711000000e-03 -3.5560000000e-04 -3.5719000000e-03  1.5992000000e-03 -1.5309000000e-03
-
-JOB 48
-COORDS -4.6916200000e-01  5.4027800000e-01  1.4296580000e+00 -1.3164990000e+00  2.5016800000e-01  1.0918870000e+00  1.6543200000e-01  2.3154400000e-01  7.8297000000e-01  4.2802600000e-01 -5.1178400000e-01 -1.3390070000e+00  1.0252400000e+00 -1.2209600000e+00 -1.5769930000e+00  8.3153400000e-01  2.7497600000e-01 -1.7056420000e+00
-ENERGY -1.526601008528e+02
-FORCES -3.4970000000e-04 -5.0922000000e-03 -8.3516000000e-03  1.6334000000e-03  1.7057000000e-03  2.6243000000e-03 -5.2960000000e-04  4.3021000000e-03  6.6994000000e-03  3.4177000000e-03 -6.4320000000e-04 -5.1693000000e-03 -2.6003000000e-03  3.8029000000e-03  1.1556000000e-03 -1.5715000000e-03 -4.0753000000e-03  3.0416000000e-03
-
-JOB 49
-COORDS -1.4360100000e+00  5.6114800000e-01  1.1788500000e-01 -9.2224800000e-01  1.2551000000e-02 -4.7483900000e-01 -2.3444570000e+00  4.1285300000e-01 -1.4472500000e-01  1.4401290000e+00 -4.7873800000e-01 -1.2019000000e-01  9.8515700000e-01 -1.2291570000e+00  2.6204700000e-01  2.2434060000e+00 -3.9771900000e-01  3.9402200000e-01
-ENERGY -1.526557268260e+02
-FORCES  1.3175000000e-03 -1.2138000000e-03 -4.3408000000e-03 -5.6800000000e-03 -5.7480000000e-04  3.1291000000e-03  4.2333000000e-03  1.7410000000e-04  1.0969000000e-03  2.4556000000e-03 -6.8970000000e-04  5.9635000000e-03  5.6910000000e-04  3.4563000000e-03 -3.7423000000e-03 -2.8954000000e-03 -1.1521000000e-03 -2.1063000000e-03
-
-JOB 50
-COORDS  8.2296400000e-01 -1.2193760000e+00 -5.9470400000e-01  5.4199400000e-01 -4.5573300000e-01 -9.0583000000e-02  1.5508890000e+00 -9.0024200000e-01 -1.1280980000e+00 -8.6490700000e-01  1.1011020000e+00  6.2340300000e-01 -3.1540800000e-01  1.7996190000e+00  9.7886900000e-01 -1.1505280000e+00  1.4305610000e+00 -2.2871800000e-01
-ENERGY -1.526594825444e+02
-FORCES -1.3830000000e-03  5.9925000000e-03  2.7200000000e-03  6.4489000000e-03 -6.0065000000e-03 -5.0680000000e-03 -3.0005000000e-03 -2.7040000000e-04  1.9639000000e-03 -3.2882000000e-03  6.2081000000e-03 -1.2532000000e-03 -1.5090000000e-03 -4.4095000000e-03 -2.7137000000e-03  2.7318000000e-03 -1.5142000000e-03  4.3509000000e-03
-
-JOB 51
-COORDS -5.0045000000e-02  1.3976820000e+00 -8.0034100000e-01  3.8483100000e-01  7.6778900000e-01 -2.2558000000e-01 -2.8737000000e-01  2.1242690000e+00 -2.2416500000e-01  8.6127000000e-02 -1.3562560000e+00  7.3051000000e-01 -5.6603100000e-01 -1.4849340000e+00  1.4192510000e+00 -1.0475500000e-01 -2.0400630000e+00  8.8480000000e-02
-ENERGY -1.526593273640e+02
-FORCES  9.3170000000e-04 -3.4409000000e-03  6.0439000000e-03 -2.2430000000e-04  7.5177000000e-03 -4.3918000000e-03  5.5880000000e-04 -2.6621000000e-03 -1.7313000000e-03 -5.0367000000e-03 -4.1302000000e-03 -6.2000000000e-04  2.8910000000e-03  2.7690000000e-04 -2.8211000000e-03  8.7950000000e-04  2.4385000000e-03  3.5204000000e-03
-
-JOB 52
-COORDS -4.3294900000e-01 -3.6581300000e-01 -1.4428110000e+00 -8.2778100000e-01  3.0874500000e-01 -1.9953610000e+00  1.6608700000e-01 -8.3284400000e-01 -2.0252800000e+00  4.3851900000e-01  3.1846800000e-01  1.5643870000e+00  1.8227000000e-01  1.2395360000e+00  1.5174500000e+00  4.0976900000e-01  1.4832000000e-02  6.5707700000e-01
-ENERGY -1.526597498165e+02
-FORCES -1.0387000000e-03  4.9430000000e-04 -6.5175000000e-03  2.1268000000e-03 -3.1519000000e-03  2.2185000000e-03 -2.6319000000e-03  2.6186000000e-03  2.9937000000e-03 -3.0201000000e-03  1.1920000000e-03 -7.3789000000e-03  9.2880000000e-04 -2.6010000000e-03  6.4290000000e-04  3.6351000000e-03  1.4479000000e-03  8.0413000000e-03
-
-JOB 53
-COORDS -1.4374240000e+00 -1.8665400000e-01 -8.3368600000e-01 -8.0633400000e-01  3.2097000000e-01 -3.2351400000e-01 -1.1900060000e+00 -3.0769000000e-02 -1.7451220000e+00  1.3956210000e+00  1.1351500000e-01  7.9622300000e-01  8.9557700000e-01 -2.3959800000e-01  1.5320900000e+00  1.6933150000e+00  9.7168300000e-01  1.0981450000e+00
-ENERGY -1.526579352531e+02
-FORCES  7.1982000000e-03  2.1823000000e-03 -1.2515000000e-03 -7.1674000000e-03 -8.6730000000e-04 -1.5098000000e-03 -1.6319000000e-03 -3.2720000000e-04  2.9085000000e-03  2.5189000000e-03 -2.9810000000e-04  6.0935000000e-03  1.5616000000e-03  3.0817000000e-03 -4.1998000000e-03 -2.4793000000e-03 -3.7715000000e-03 -2.0410000000e-03
-
-JOB 54
-COORDS -8.4843500000e-01 -1.4842080000e+00  1.2859000000e-01 -5.9182300000e-01 -8.1731500000e-01  7.6548600000e-01 -5.4465400000e-01 -1.1424570000e+00 -7.1233500000e-01  8.5179100000e-01  1.4280100000e+00 -6.2525000000e-02  2.7851600000e-01  2.1125380000e+00 -4.0749900000e-01  7.6901300000e-01  7.0799400000e-01 -6.8779000000e-01
-ENERGY -1.526540334029e+02
-FORCES  2.2225000000e-03  4.9782000000e-03  8.1940000000e-04 -1.9393000000e-03 -4.6755000000e-03 -3.5018000000e-03  4.9640000000e-04  3.5270000000e-04  2.5721000000e-03 -1.3433000000e-03  1.9893000000e-03 -4.9461000000e-03  2.5628000000e-03 -3.6422000000e-03  1.6088000000e-03 -1.9991000000e-03  9.9750000000e-04  3.4477000000e-03
-
-JOB 55
-COORDS -6.8351000000e-02 -1.6850760000e+00  2.7088200000e-01 -9.7709900000e-01 -1.4099670000e+00  1.4953800000e-01  3.8157400000e-01 -8.9819500000e-01  5.7848500000e-01  8.3000000000e-02  1.6406560000e+00 -2.1706100000e-01 -4.6913100000e-01  1.8544180000e+00 -9.6918400000e-01  8.5733100000e-01  1.2263370000e+00 -5.9782700000e-01
-ENERGY -1.526568550579e+02
-FORCES -3.3971000000e-03  6.8672000000e-03  1.8959000000e-03  2.8359000000e-03 -2.7071000000e-03 -2.5630000000e-04  1.3070000000e-03 -4.6202000000e-03 -2.1289000000e-03  7.8680000000e-04  8.2450000000e-04 -6.5076000000e-03  2.2433000000e-03 -9.0750000000e-04  3.4642000000e-03 -3.7760000000e-03  5.4310000000e-04  3.5327000000e-03
-
-JOB 56
-COORDS -3.5052100000e-01 -1.5696000000e+00  4.7833000000e-01 -2.2293000000e-01 -9.3907900000e-01  1.1871290000e+00  4.3296700000e-01 -2.1189830000e+00  5.0191300000e-01  3.4302000000e-01  1.5998630000e+00 -4.8534800000e-01 -5.6203000000e-02  7.5182000000e-01 -2.9124500000e-01 -4.8926000000e-02  1.8647950000e+00 -1.3174660000e+00
-ENERGY -1.526579256515e+02
-FORCES  4.6223000000e-03 -3.3715000000e-03  4.5464000000e-03 -7.8450000000e-04 -8.2630000000e-04 -6.2667000000e-03 -3.9053000000e-03  2.2070000000e-03  2.5410000000e-04 -3.6622000000e-03 -4.1754000000e-03 -3.8530000000e-03  2.0787000000e-03  6.8554000000e-03  2.2596000000e-03  1.6509000000e-03 -6.8930000000e-04  3.0595000000e-03
-
-JOB 57
-COORDS  3.2031300000e-01 -1.4769640000e+00  8.6156500000e-01  4.3747000000e-01 -1.0858460000e+00  1.7273200000e+00  8.6600900000e-01 -9.4522900000e-01  2.8216400000e-01 -3.0027000000e-01  1.3982730000e+00 -8.6475300000e-01 -5.0565600000e-01  2.1374130000e+00 -1.4372220000e+00 -1.1525460000e+00  1.0860820000e+00 -5.6079000000e-01
-ENERGY -1.526579776255e+02
-FORCES  3.8076000000e-03  4.7941000000e-03  1.1920000000e-04 -9.4250000000e-04 -1.7727000000e-03 -3.0597000000e-03 -1.7609000000e-03 -4.4633000000e-03  3.6112000000e-03 -5.2056000000e-03  1.7462000000e-03 -1.4889000000e-03  4.5190000000e-04 -3.1031000000e-03  2.5201000000e-03  3.6495000000e-03  2.7987000000e-03 -1.7019000000e-03
-
-JOB 58
-COORDS -1.8704900000e-01  1.7309260000e+00 -3.0931000000e-02 -4.8217300000e-01  1.0637080000e+00 -6.5057200000e-01 -9.9258300000e-01  2.1490870000e+00  2.7318700000e-01  2.5965100000e-01 -1.6724780000e+00 -4.2250000000e-03 -4.6960200000e-01 -2.2258430000e+00  2.7543300000e-01  9.4764900000e-01 -1.8383120000e+00  6.4028300000e-01
-ENERGY -1.526559332913e+02
-FORCES -3.6798000000e-03 -3.5891000000e-03 -1.6025000000e-03 -2.4320000000e-04  5.7784000000e-03  1.5138000000e-03  2.9743000000e-03 -1.7788000000e-03 -9.5870000000e-04  1.3073000000e-03 -2.5064000000e-03  5.2062000000e-03  2.6467000000e-03  2.6640000000e-03 -1.3776000000e-03 -3.0053000000e-03 -5.6820000000e-04 -2.7813000000e-03
-
-JOB 59
-COORDS  1.6584170000e+00  6.0479400000e-01 -1.9958100000e-01  8.6847600000e-01  3.9098300000e-01 -6.9607900000e-01  2.3792300000e+00  3.1719500000e-01 -7.5989100000e-01 -1.6310650000e+00 -5.5746100000e-01  3.2084200000e-01 -2.3539010000e+00 -1.1467410000e+00  1.0523100000e-01 -1.2946460000e+00 -2.6977300000e-01 -5.2785700000e-01
-ENERGY -1.526509380877e+02
-FORCES -1.5920000000e-04 -2.7409000000e-03 -3.5041000000e-03  1.1378000000e-03  1.0645000000e-03  5.2060000000e-04 -3.1414000000e-03  1.2935000000e-03  2.5337000000e-03 -2.8933000000e-03 -1.7568000000e-03 -4.0024000000e-03  3.2552000000e-03  2.6486000000e-03  1.2670000000e-03  1.8008000000e-03 -5.0880000000e-04  3.1852000000e-03
-
-JOB 60
-COORDS  9.4476500000e-01 -1.4936110000e+00  4.9531000000e-01  3.5167100000e-01 -1.0812290000e+00 -1.3271300000e-01  5.5068200000e-01 -1.3166100000e+00  1.3494760000e+00 -8.5491000000e-01  1.4471750000e+00 -4.6344600000e-01 -7.1629900000e-01  2.0487290000e+00 -1.1949860000e+00 -1.7631470000e+00  1.1600130000e+00 -5.5765700000e-01
-ENERGY -1.526569334761e+02
-FORCES -4.2780000000e-03  5.4155000000e-03  5.5090000000e-04  2.4168000000e-03 -5.2412000000e-03  2.1318000000e-03  1.4809000000e-03 -1.8140000000e-03 -2.6735000000e-03 -3.1626000000e-03  4.2224000000e-03 -3.7444000000e-03 -1.0972000000e-03 -2.7054000000e-03  3.1860000000e-03  4.6400000000e-03  1.2260000000e-04  5.4920000000e-04
-
-JOB 61
-COORDS  1.3529870000e+00  1.0063070000e+00 -6.4025200000e-01  1.3146560000e+00  9.4400000000e-02 -3.5182800000e-01  2.1993950000e+00  1.0833680000e+00 -1.0805770000e+00 -1.3497000000e+00 -9.7154800000e-01  6.0117500000e-01 -1.3700280000e+00 -1.2472390000e+00  1.5175880000e+00 -2.1531050000e+00 -4.6425700000e-01  4.8529800000e-01
-ENERGY -1.526562120859e+02
-FORCES  1.7018000000e-03 -4.5248000000e-03 -1.7030000000e-04  3.2193000000e-03  4.6323000000e-03 -1.6960000000e-03 -3.4054000000e-03 -3.8320000000e-04  1.7894000000e-03 -4.7165000000e-03  2.1634000000e-03  2.9813000000e-03  4.7460000000e-04  9.9990000000e-04 -3.8815000000e-03  2.7262000000e-03 -2.8876000000e-03  9.7700000000e-04
-
-JOB 62
-COORDS  8.5688700000e-01  1.0459760000e+00  1.2548580000e+00  4.1330800000e-01  1.8230620000e+00  9.1484900000e-01  7.1862400000e-01  1.0855030000e+00  2.2011940000e+00 -8.1605000000e-01 -1.1019890000e+00 -1.3502460000e+00 -2.8718800000e-01 -1.3439970000e+00 -5.9000300000e-01 -1.5472330000e+00 -6.0369300000e-01 -9.8513700000e-01
-ENERGY -1.526559243208e+02
-FORCES -1.2044000000e-03  4.9130000000e-03  2.4603000000e-03  1.4095000000e-03 -3.5175000000e-03  1.9295000000e-03  2.3850000000e-04 -5.2110000000e-04 -4.2513000000e-03  6.6490000000e-04  1.7887000000e-03  5.8899000000e-03 -3.1891000000e-03 -9.3340000000e-04 -4.0739000000e-03  2.0805000000e-03 -1.7297000000e-03 -1.9544000000e-03
-
-JOB 63
-COORDS -1.9079000000e-01  1.1917770000e+00 -1.4539650000e+00 -3.2856000000e-01  5.4301500000e-01 -2.1441530000e+00 -9.9983600000e-01  1.1737950000e+00 -9.4273700000e-01  2.4513700000e-01 -1.1239870000e+00  1.5248750000e+00 -6.9955000000e-02 -1.9953120000e+00  1.2845820000e+00  5.7048900000e-01 -7.5193800000e-01  7.0514400000e-01
-ENERGY -1.526564881355e+02
-FORCES -5.3201000000e-03 -3.6040000000e-04 -1.9645000000e-03  1.0332000000e-03  2.0920000000e-03  3.7286000000e-03  4.1293000000e-03 -5.2070000000e-04 -2.6722000000e-03  1.3423000000e-03 -1.3227000000e-03 -4.4802000000e-03  9.1370000000e-04  3.6348000000e-03  6.7040000000e-04 -2.0985000000e-03 -3.5230000000e-03  4.7180000000e-03
-
-JOB 64
-COORDS -3.1554400000e-01 -1.0584140000e+00  1.5899620000e+00  4.3221000000e-01 -1.6361800000e+00  1.4373740000e+00 -3.1221100000e-01 -4.5934300000e-01  8.4341400000e-01  2.8557700000e-01  1.0021460000e+00 -1.5111100000e+00  9.1325000000e-02  1.8433020000e+00 -1.0976440000e+00  2.7706700000e-01  1.1885640000e+00 -2.4499430000e+00
-ENERGY -1.526576076731e+02
-FORCES  3.3547000000e-03  2.9930000000e-04 -5.4651000000e-03 -2.8127000000e-03  1.7064000000e-03  1.2703000000e-03 -8.4990000000e-04 -2.3110000000e-03  5.9297000000e-03 -5.0790000000e-04  4.7846000000e-03 -4.4229000000e-03  5.9340000000e-04 -4.3132000000e-03 -1.3032000000e-03  2.2240000000e-04 -1.6610000000e-04  3.9911000000e-03
-
-JOB 65
-COORDS -1.1533810000e+00  1.5330780000e+00  3.4222600000e-01 -1.6085880000e+00  9.6203900000e-01  9.6104100000e-01 -5.2653800000e-01  9.5887000000e-01 -9.7757000000e-02  1.0929310000e+00 -1.5078490000e+00 -3.3369000000e-01  1.4192960000e+00 -7.3246800000e-01  1.2292900000e-01  1.7033460000e+00 -1.6331580000e+00 -1.0602730000e+00
-ENERGY -1.526557157864e+02
-FORCES -5.6440000000e-04 -5.9312000000e-03 -1.2230000000e-04  1.9166000000e-03  2.9464000000e-03 -2.0450000000e-03 -9.6880000000e-04  4.2086000000e-03  2.9332000000e-03  5.8892000000e-03  4.9290000000e-04 -1.3065000000e-03 -3.5896000000e-03 -2.4035000000e-03 -2.8247000000e-03 -2.6830000000e-03  6.8680000000e-04  3.3654000000e-03
-
-JOB 66
-COORDS  8.5191400000e-01  4.2046700000e-01 -1.6991170000e+00  9.1014700000e-01  3.8848400000e-01 -2.6540080000e+00  1.1820710000e+00 -4.3017800000e-01 -1.4099240000e+00 -8.9519100000e-01 -3.5199400000e-01  1.8044660000e+00 -1.1312300000e-01 -8.4119100000e-01  1.5489500000e+00 -1.3434530000e+00 -1.6788700000e-01  9.7899800000e-01
-ENERGY -1.526545533157e+02
-FORCES  2.6777000000e-03 -2.9117000000e-03 -3.9955000000e-03 -2.6700000000e-04  6.9200000000e-05  4.1848000000e-03 -2.2829000000e-03  3.3333000000e-03 -2.4380000000e-04  1.5660000000e-03  1.1080000000e-04 -5.2687000000e-03 -2.7901000000e-03  1.1246000000e-03  1.0340000000e-03  1.0962000000e-03 -1.7263000000e-03  4.2891000000e-03
-
-JOB 67
-COORDS -1.4843000000e-01  1.1616720000e+00 -1.8004190000e+00 -6.3637700000e-01  4.0925200000e-01 -1.4657500000e+00  4.4824300000e-01  7.9084700000e-01 -2.4505750000e+00  1.7221300000e-01 -1.0632620000e+00  1.7585150000e+00 -3.5443400000e-01 -6.0522500000e-01  2.4135540000e+00  2.3777800000e-01 -1.9597820000e+00  2.0874310000e+00
-ENERGY -1.526550201853e+02
-FORCES  1.0576000000e-03 -5.3468000000e-03  6.3600000000e-05  1.0992000000e-03  3.6299000000e-03 -2.7095000000e-03 -2.4291000000e-03  1.6286000000e-03  2.1015000000e-03 -1.3961000000e-03 -1.3422000000e-03  4.9271000000e-03  1.9958000000e-03 -2.2834000000e-03 -2.7913000000e-03 -3.2740000000e-04  3.7138000000e-03 -1.5914000000e-03
-
-JOB 68
-COORDS -2.2618700000e-01  8.5303300000e-01 -1.8783650000e+00 -1.5108300000e-01  8.8112200000e-01 -2.8322010000e+00 -9.9485300000e-01  1.3886980000e+00 -1.6822820000e+00  2.9154300000e-01 -8.5415200000e-01  1.8664360000e+00 -4.1007900000e-01 -5.9455100000e-01  2.4635680000e+00  6.3530300000e-01 -1.6662350000e+00  2.2387020000e+00
-ENERGY -1.526525174710e+02
-FORCES -2.8678000000e-03  2.1708000000e-03 -2.4845000000e-03 -1.7770000000e-04 -2.5050000000e-04  3.9627000000e-03  3.0083000000e-03 -2.0261000000e-03 -9.8830000000e-04 -1.3701000000e-03 -2.3740000000e-03  3.4630000000e-03  2.7717000000e-03 -8.8440000000e-04 -2.4880000000e-03 -1.3644000000e-03  3.3642000000e-03 -1.4648000000e-03
-
-JOB 69
-COORDS -4.9400800000e-01  4.5247200000e-01 -2.1724650000e+00 -7.7056100000e-01  1.3353200000e-01 -1.3133790000e+00  3.3065000000e-01 -2.4860000000e-03 -2.3432960000e+00  4.5397000000e-01 -4.6914100000e-01  2.1363070000e+00  1.1386000000e-02  1.4227100000e-01  1.5476420000e+00  1.0525150000e+00  7.8017000000e-02  2.6448280000e+00
-ENERGY -1.526540639251e+02
-FORCES  2.2530000000e-03 -4.1795000000e-03  1.9940000000e-03  1.2921000000e-03  2.4283000000e-03 -2.5431000000e-03 -3.5051000000e-03  2.2859000000e-03  6.5030000000e-04  1.0013000000e-03  5.3206000000e-03  8.7600000000e-04  1.4972000000e-03 -3.4042000000e-03  1.1481000000e-03 -2.5384000000e-03 -2.4512000000e-03 -2.1253000000e-03
-
-JOB 70
-COORDS -4.8515300000e-01  1.3381770000e+00  1.6896630000e+00 -2.0236400000e-01  1.4953850000e+00  2.5905230000e+00 -7.6153900000e-01  4.2178600000e-01  1.6813460000e+00  4.2596000000e-01 -1.3070310000e+00 -1.7640640000e+00  8.2127500000e-01 -1.5726590000e+00 -9.3376300000e-01  1.1293450000e+00 -8.5646800000e-01 -2.2314770000e+00
-ENERGY -1.526540836816e+02
-FORCES -8.2670000000e-04 -2.9694000000e-03  3.4003000000e-03 -9.6250000000e-04 -7.3530000000e-04 -3.8407000000e-03  1.7801000000e-03  3.6340000000e-03  5.3270000000e-04  4.7979000000e-03  1.6940000000e-03  1.2436000000e-03 -2.0481000000e-03  6.7450000000e-04 -2.9984000000e-03 -2.7407000000e-03 -2.2979000000e-03  1.6625000000e-03
-
-JOB 71
-COORDS -6.2492000000e-01 -1.6844980000e+00 -1.4140570000e+00 -8.1537500000e-01 -7.8292700000e-01 -1.1549660000e+00 -5.3976200000e-01 -2.1589550000e+00 -5.8709200000e-01  6.9273600000e-01  1.6405090000e+00  1.3478650000e+00 -9.1234000000e-02  1.1080210000e+00  1.2134030000e+00  3.6015300000e-01  2.5284320000e+00  1.4790670000e+00
-ENERGY -1.526531051126e+02
-FORCES  3.9740000000e-04  1.5350000000e-03  3.9793000000e-03  1.5570000000e-04 -3.6401000000e-03 -2.5630000000e-04 -7.6790000000e-04  2.3079000000e-03 -3.3271000000e-03 -4.2354000000e-03  2.2946000000e-03  6.2800000000e-04  3.0704000000e-03  1.4261000000e-03 -4.0620000000e-04  1.3799000000e-03 -3.9236000000e-03 -6.1770000000e-04
-
-JOB 72
-COORDS  1.0623100000e+00 -1.8387860000e+00 -9.4759100000e-01  1.9728760000e+00 -1.8329780000e+00 -6.5251900000e-01  5.5181000000e-01 -1.9676220000e+00 -1.4820200000e-01 -1.1312080000e+00  1.8802880000e+00  8.5251800000e-01 -5.2703500000e-01  2.1871250000e+00  1.5285780000e+00 -9.1691400000e-01  9.5399700000e-01  7.4163200000e-01
-ENERGY -1.526535695108e+02
-FORCES  2.2745000000e-03 -1.4661000000e-03  3.8092000000e-03 -4.0239000000e-03  9.8500000000e-05 -1.0600000000e-03  1.8006000000e-03  1.6912000000e-03 -3.0716000000e-03  3.5590000000e-03 -2.3827000000e-03  1.5479000000e-03 -2.4871000000e-03 -1.4014000000e-03 -2.6414000000e-03 -1.1231000000e-03  3.4606000000e-03  1.4158000000e-03
-
-JOB 73
-COORDS -2.2299000000e-01  2.0823730000e+00  1.2246580000e+00  4.8786000000e-01  1.4565980000e+00  1.0856280000e+00 -5.0895400000e-01  1.9247170000e+00  2.1244360000e+00  2.4720600000e-01 -2.0894940000e+00 -1.2578040000e+00 -6.4097800000e-01 -2.0917870000e+00 -9.0093500000e-01  3.2323600000e-01 -1.2475940000e+00 -1.7068660000e+00
-ENERGY -1.526549505242e+02
-FORCES  2.1135000000e-03 -2.9293000000e-03  3.6937000000e-03 -3.3047000000e-03  2.7053000000e-03  1.4550000000e-04  1.0515000000e-03  6.2170000000e-04 -3.7660000000e-03 -3.8609000000e-03  3.2235000000e-03 -1.0960000000e-03  3.8847000000e-03 -1.2970000000e-04 -1.2127000000e-03  1.1590000000e-04 -3.4916000000e-03  2.2355000000e-03
-
-JOB 74
-COORDS -8.6159500000e-01  3.3480500000e-01 -2.2864240000e+00 -5.0684100000e-01  1.6409700000e-01 -3.1589140000e+00 -3.3919700000e-01  1.0645290000e+00 -1.9535040000e+00  8.0692800000e-01 -4.3220900000e-01  2.3027880000e+00  1.1747200000e+00 -1.3440000000e-02  3.0809870000e+00  4.9519600000e-01  2.9475300000e-01  1.7637330000e+00
-ENERGY -1.526536410090e+02
-FORCES  3.6979000000e-03  1.8170000000e-03 -2.7132000000e-03 -1.5519000000e-03  8.6710000000e-04  3.5547000000e-03 -2.1909000000e-03 -2.8910000000e-03 -7.0960000000e-04 -2.6300000000e-04  4.4372000000e-03  8.6060000000e-04 -1.4440000000e-03 -1.7085000000e-03 -3.2621000000e-03  1.7520000000e-03 -2.5219000000e-03  2.2696000000e-03
-
-JOB 75
-COORDS -1.3515620000e+00 -1.9209260000e+00 -6.0662000000e-01 -1.5838390000e+00 -2.8492090000e+00 -6.3049800000e-01 -1.9531390000e+00 -1.5070160000e+00 -1.2255020000e+00  1.3885060000e+00  1.9379970000e+00  5.7482300000e-01  2.1788170000e+00  1.7919630000e+00  1.0947400000e+00  7.7551300000e-01  2.3533150000e+00  1.1814380000e+00
-ENERGY -1.526535262936e+02
-FORCES -3.1278000000e-03 -1.6670000000e-03 -2.9385000000e-03  1.0078000000e-03  3.7702000000e-03  2.1790000000e-04  2.1785000000e-03 -1.9140000000e-03  2.6213000000e-03  4.3850000000e-04  2.5040000000e-04  4.7270000000e-03 -3.0473000000e-03  8.6800000000e-04 -2.1096000000e-03  2.5503000000e-03 -1.3075000000e-03 -2.5180000000e-03
-
-JOB 76
-COORDS  2.1015670000e+00  3.3435400000e-01  1.3367670000e+00  1.3659650000e+00  7.3727900000e-01  8.7549300000e-01  2.4294620000e+00  1.0238270000e+00  1.9141270000e+00 -2.0420740000e+00 -4.1945100000e-01 -1.3903580000e+00 -2.0464260000e+00  4.4893000000e-01 -9.8770800000e-01 -2.6926920000e+00 -9.1695200000e-01 -8.9495700000e-01
-ENERGY -1.526537471014e+02
-FORCES -1.5571000000e-03  4.1966000000e-03  2.1800000000e-05  2.8756000000e-03 -1.1680000000e-03  2.3551000000e-03 -1.4635000000e-03 -2.8285000000e-03 -2.3430000000e-03 -3.1802000000e-03  9.5640000000e-04  3.4716000000e-03  6.7690000000e-04 -3.4086000000e-03 -1.3968000000e-03  2.6483000000e-03  2.2521000000e-03 -2.1086000000e-03
-
-JOB 77
-COORDS  6.8948400000e-01 -1.8563510000e+00 -1.7067070000e+00  5.6826400000e-01 -9.7510400000e-01 -1.3532380000e+00  8.6350600000e-01 -1.7195580000e+00 -2.6379620000e+00 -7.0427600000e-01  1.7721380000e+00  1.8092310000e+00 -4.1862300000e-01  1.2619760000e+00  1.0513600000e+00 -8.0506100000e-01  2.6632260000e+00  1.4745140000e+00
-ENERGY -1.526529340199e+02
-FORCES  4.0850000000e-04  3.7623000000e-03 -2.7459000000e-03  1.9380000000e-04 -3.0235000000e-03 -9.0910000000e-04 -7.6400000000e-04 -5.0400000000e-04  3.9935000000e-03  5.4510000000e-04  1.6857000000e-03 -4.0680000000e-03 -8.7760000000e-04  1.9187000000e-03  2.4509000000e-03  4.9420000000e-04 -3.8392000000e-03  1.2786000000e-03
-
-JOB 78
-COORDS  1.6897600000e-01 -1.3124900000e-01  2.7707180000e+00  2.1233300000e-01  1.6395900000e-01  1.8612100000e+00  3.9456200000e-01  6.4355100000e-01  3.2855270000e+00 -1.8908500000e-01  1.8208000000e-02 -2.7285740000e+00 -9.0230300000e-01  6.1900900000e-01 -2.9444230000e+00  6.0708800000e-01  5.0229100000e-01 -2.9476720000e+00
-ENERGY -1.526543792076e+02
-FORCES  1.0009000000e-03  4.0378000000e-03 -2.0365000000e-03 -3.5200000000e-05 -8.1780000000e-04  4.2873000000e-03 -9.0110000000e-04 -3.0700000000e-03 -2.0742000000e-03  1.8350000000e-04  4.1308000000e-03 -2.5633000000e-03  3.0704000000e-03 -2.3868000000e-03  1.1221000000e-03 -3.3185000000e-03 -1.8940000000e-03  1.2645000000e-03
-
-JOB 79
-COORDS  1.7967600000e-01  1.9505430000e+00  2.5463880000e+00 -7.5440200000e-01  2.0911590000e+00  2.3916090000e+00  4.4411200000e-01  2.6842870000e+00  3.1012970000e+00 -1.4886500000e-01 -2.0371770000e+00 -2.6067200000e+00 -4.3071100000e-01 -1.1255590000e+00 -2.6825320000e+00  2.3493100000e-01 -2.0977550000e+00 -1.7319270000e+00
-ENERGY -1.526544936345e+02
-FORCES -2.6580000000e-03  3.7372000000e-03  1.9677000000e-03  3.8517000000e-03 -6.7780000000e-04  4.2570000000e-04 -1.1333000000e-03 -3.0012000000e-03 -2.3051000000e-03  6.3760000000e-04  3.5707000000e-03  3.4569000000e-03  9.6950000000e-04 -3.7105000000e-03  1.6100000000e-04 -1.6675000000e-03  8.1600000000e-05 -3.7061000000e-03
-
-JOB 80
-COORDS  3.6607700000e-01  2.1528880000e+00  2.4348470000e+00  3.1236000000e-01  2.2103960000e+00  3.3888060000e+00 -2.1392600000e-01  1.4268940000e+00  2.2051500000e+00 -3.1664000000e-01 -2.1134020000e+00 -2.4080040000e+00 -1.0948600000e-01 -2.7626620000e+00 -3.0801500000e+00 -8.0132300000e-01 -1.4319900000e+00 -2.8738280000e+00
-ENERGY -1.526542764432e+02
-FORCES -2.4727000000e-03 -3.0359000000e-03  2.8073000000e-03  2.0660000000e-04 -1.5790000000e-04 -3.8341000000e-03  2.2252000000e-03  3.2240000000e-03  1.0852000000e-03 -9.2870000000e-04  1.8600000000e-04 -4.7859000000e-03 -8.9850000000e-04  2.6225000000e-03  2.7414000000e-03  1.8682000000e-03 -2.8385000000e-03  1.9862000000e-03
-
-JOB 81
-COORDS -8.1658300000e-01 -2.3401240000e+00 -2.2901490000e+00 -1.3438870000e+00 -1.5852360000e+00 -2.5515460000e+00  8.8237000000e-02 -2.0342960000e+00 -2.3534010000e+00  7.9621300000e-01  2.2528880000e+00  2.2496040000e+00  1.5189400000e+00  2.1995910000e+00  2.8749500000e+00  1.6280400000e-01  2.8386430000e+00  2.6642300000e+00
-ENERGY -1.526542952296e+02
-FORCES  1.6377000000e-03  4.6201000000e-03 -9.5350000000e-04  2.0155000000e-03 -3.1791000000e-03  8.5640000000e-04 -3.6446000000e-03 -1.4384000000e-03  2.4400000000e-05  3.1090000000e-04  2.0747000000e-03  4.4137000000e-03 -2.9186000000e-03  2.6450000000e-04 -2.5960000000e-03  2.5990000000e-03 -2.3418000000e-03 -1.7450000000e-03
-
-JOB 82
-COORDS  5.6184100000e-01  3.3017470000e+00  7.3355700000e-01  6.5364800000e-01  3.9800080000e+00  6.4405000000e-02 -3.7276200000e-01  3.2933820000e+00  9.4014500000e-01 -5.2752000000e-01 -3.2910280000e+00 -6.6925000000e-01 -5.7294800000e-01 -3.3391520000e+00 -1.6241590000e+00 -2.3784600000e-01 -4.1622620000e+00 -3.9856000000e-01
-ENERGY -1.526538776063e+02
-FORCES -3.5555000000e-03  2.4127000000e-03 -1.8887000000e-03 -3.2720000000e-04 -2.7089000000e-03  2.7080000000e-03  3.8303000000e-03  2.6100000000e-04 -8.2210000000e-04  1.2072000000e-03 -3.6434000000e-03 -2.7466000000e-03  8.9400000000e-05  1.6270000000e-04  3.8673000000e-03 -1.2442000000e-03  3.5158000000e-03 -1.1180000000e-03
-
-JOB 83
-COORDS -2.8076500000e-01 -6.6157000000e-02  3.9135280000e+00 -9.7910000000e-01  1.4140000000e-01  3.2926570000e+00  5.1607200000e-01 -7.8008000000e-02  3.3833000000e+00  2.9371200000e-01  1.1800000000e-04 -3.8798910000e+00 -3.1009700000e-01  3.0618000000e-02 -3.1377880000e+00  5.6705300000e-01  9.0897300000e-01 -4.0043880000e+00
-ENERGY -1.526538628003e+02
-FORCES  4.5960000000e-04  6.8980000000e-04 -4.5740000000e-03  2.8648000000e-03 -7.9480000000e-04  2.4295000000e-03 -3.3396000000e-03  1.2570000000e-04  2.1024000000e-03 -1.3929000000e-03  3.8532000000e-03  2.2602000000e-03  2.5318000000e-03 -1.2180000000e-04 -2.8449000000e-03 -1.1236000000e-03 -3.7521000000e-03  6.2680000000e-04
-
-JOB 84
-COORDS  2.9187000000e-01 -3.8204790000e+00 -5.6335000000e-01  7.6558000000e-01 -4.5623690000e+00 -1.8728000000e-01  7.6439300000e-01 -3.6184870000e+00 -1.3709100000e+00 -3.7928400000e-01  3.8961150000e+00  5.4833900000e-01  2.4620000000e-01  4.0850950000e+00  1.2478300000e+00 -4.0831300000e-01  2.9403790000e+00  5.0410200000e-01
-ENERGY -1.526542824638e+02
-FORCES  3.7994000000e-03 -2.4009000000e-03 -1.8574000000e-03 -1.9100000000e-03  3.0827000000e-03 -1.5129000000e-03 -1.9076000000e-03 -7.3510000000e-04  3.3681000000e-03  2.3304000000e-03 -3.2721000000e-03  2.7082000000e-03 -2.5016000000e-03 -7.0610000000e-04 -2.8534000000e-03  1.8940000000e-04  4.0316000000e-03  1.4750000000e-04
-
-JOB 85
-COORDS -1.1820570000e+00  3.2903290000e+00  1.9444070000e+00 -6.5479500000e-01  3.9971250000e+00  1.5720280000e+00 -1.3341360000e+00  2.6929570000e+00  1.2121160000e+00  1.1263610000e+00 -3.2931590000e+00 -1.8259280000e+00  1.5008540000e+00 -4.0944810000e+00 -2.1918090000e+00  1.3529370000e+00 -2.6116590000e+00 -2.4587420000e+00
-ENERGY -1.526540490156e+02
-FORCES  1.5434000000e-03  2.6370000000e-04 -4.4705000000e-03 -2.1455000000e-03 -2.8380000000e-03  1.4990000000e-03  6.0700000000e-04  2.5886000000e-03  2.9396000000e-03  2.5153000000e-03 -6.5270000000e-04 -4.0459000000e-03 -1.5342000000e-03  3.3076000000e-03  1.4691000000e-03 -9.8600000000e-04 -2.6692000000e-03  2.6088000000e-03
-
-JOB 86
-COORDS -3.6121400000e-01 -4.1252790000e+00  2.8686330000e+00 -9.0407100000e-01 -3.7822140000e+00  3.5784540000e+00 -4.0691000000e-02 -4.9656040000e+00  3.1962770000e+00  3.2907500000e-01  4.1233220000e+00 -2.9639760000e+00  1.2437300000e+00  3.8796370000e+00 -2.8216580000e+00  2.3132700000e-01  4.9622070000e+00 -2.5134780000e+00
-ENERGY -1.526540269636e+02
-FORCES -9.6100000000e-04 -2.0258000000e-03  4.1952000000e-03  2.2406000000e-03 -1.4028000000e-03 -2.8731000000e-03 -1.2886000000e-03  3.4337000000e-03 -1.3288000000e-03  3.3403000000e-03  2.3246000000e-03  2.4662000000e-03 -3.7204000000e-03  1.0599000000e-03 -6.1000000000e-04  3.8920000000e-04 -3.3896000000e-03 -1.8495000000e-03
-
-JOB 87
-COORDS  4.4705800000e+00  3.4226350000e+00 -1.5155180000e+00  5.2125550000e+00  2.9767230000e+00 -1.1070240000e+00  4.2143500000e+00  2.8495080000e+00 -2.2380850000e+00 -4.5507390000e+00 -3.4067680000e+00  1.5479250000e+00 -3.6334340000e+00 -3.5324720000e+00  1.7907890000e+00 -4.5584420000e+00 -2.5855550000e+00  1.0562120000e+00
-ENERGY -1.526540783767e+02
-FORCES  2.0547000000e-03 -4.1060000000e-03 -1.3161000000e-03 -3.0611000000e-03  1.7979000000e-03 -1.6563000000e-03  1.0044000000e-03  2.3146000000e-03  2.9762000000e-03  3.6919000000e-03  2.8743000000e-03 -9.8760000000e-04 -3.7297000000e-03  4.9180000000e-04 -1.0063000000e-03  3.9800000000e-05 -3.3727000000e-03  1.9901000000e-03
-
-JOB 88
-COORDS  6.2995690000e+00 -4.5182310000e+00  9.4973700000e-01  5.8030420000e+00 -3.7347530000e+00  7.1340000000e-01  5.7057750000e+00 -5.2447870000e+00  7.6064100000e-01 -6.2774040000e+00  4.4697960000e+00 -9.3666600000e-01 -5.3270050000e+00  4.5239370000e+00 -1.0368750000e+00 -6.5363810000e+00  5.3390670000e+00 -6.3083600000e-01
-ENERGY -1.526540788712e+02
-FORCES -4.4534000000e-03  2.1630000000e-04 -1.7351000000e-03  2.0293000000e-03 -3.1843000000e-03  9.6440000000e-04  2.4256000000e-03  2.9695000000e-03  7.7090000000e-04  2.8007000000e-03  3.7890000000e-03  8.3870000000e-04 -3.8662000000e-03 -2.3840000000e-04  4.0900000000e-04  1.0641000000e-03 -3.5522000000e-03 -1.2479000000e-03
-
-JOB 89
-COORDS -7.1625140000e+00 -5.1558330000e+00  2.1228550000e+00 -6.3932530000e+00 -5.4243280000e+00  1.6204800000e+00 -6.8040870000e+00 -4.7195390000e+00  2.8957770000e+00  7.1386640000e+00  5.2105230000e+00 -2.1207060000e+00  7.4540970000e+00  4.3410930000e+00 -1.8740760000e+00  6.3575050000e+00  5.0418770000e+00 -2.6475650000e+00
-ENERGY -1.526540585496e+02
-FORCES  4.5892000000e-03  6.7900000000e-04  1.1141000000e-03 -3.1326000000e-03  1.1002000000e-03  2.0448000000e-03 -1.4557000000e-03 -1.7785000000e-03 -3.1600000000e-03 -1.8908000000e-03 -4.2246000000e-03 -1.1549000000e-03 -1.2938000000e-03  3.5427000000e-03 -1.0008000000e-03  3.1837000000e-03  6.8120000000e-04  2.1568000000e-03
-
-JOB 0
-COORDS  3.1443000000e-02 -4.7778100000e-01  1.0840550000e+00  9.8840300000e-01 -4.9914600000e-01  1.0822700000e+00 -2.2869200000e-01 -1.3888820000e+00  1.2199140000e+00 -1.1238000000e-01  5.4715100000e-01 -1.1457750000e+00 -3.6745600000e-01  1.6823400000e-01 -3.0459100000e-01  8.2725700000e-01  7.0884000000e-01 -1.0610970000e+00
-ENERGY -1.526492054329e+02
-FORCES  2.1603000000e-03  7.8529000000e-03 -2.3433000000e-02 -4.9702000000e-03  2.6240000000e-04 -1.2925000000e-03  2.0287000000e-03  5.3970000000e-03 -2.2379000000e-03  2.6771000000e-03 -1.3044200000e-02  3.0029600000e-02 -1.1571000000e-03  8.1510000000e-04 -4.1216000000e-03 -7.3880000000e-04 -1.2832000000e-03  1.0555000000e-03
-
-JOB 1
-COORDS -7.0182600000e-01  1.3622900000e-01  1.0294650000e+00 -2.7089400000e-01  2.3452300000e-01  1.8785040000e+00 -1.5755840000e+00 -1.9279100000e-01  1.2404750000e+00  7.0105600000e-01 -1.6781200000e-01 -1.1277550000e+00  4.3771200000e-01  1.5954300000e-01 -2.6768500000e-01  1.4620560000e+00  3.6267800000e-01 -1.3637470000e+00
-ENERGY -1.526565020222e+02
-FORCES  1.4609000000e-03 -4.3159000000e-03 -8.7791000000e-03 -1.2461000000e-03 -3.0260000000e-04 -5.4567000000e-03  4.2739000000e-03  2.0327000000e-03  1.9580000000e-03 -9.2673000000e-03  1.9038000000e-03  1.1878300000e-02  7.8706000000e-03  1.4346000000e-03 -3.4739000000e-03 -3.0919000000e-03 -7.5260000000e-04  3.8733000000e-03
-
-JOB 2
-COORDS  1.9914100000e-01  9.8885800000e-01  9.3781300000e-01 -1.3297200000e-01  5.9216000000e-01  1.7431480000e+00  1.8417000000e-01  2.7845400000e-01  2.9646000000e-01 -2.0275100000e-01 -9.3462400000e-01 -8.8434500000e-01 -5.3396900000e-01 -3.5366100000e-01 -1.5691870000e+00  5.7045800000e-01 -1.3453180000e+00 -1.2712690000e+00
-ENERGY -1.526601004825e+02
-FORCES -3.2901000000e-03 -1.4833100000e-02 -9.0521000000e-03  9.5850000000e-04  5.6820000000e-04 -2.3400000000e-03  1.9184000000e-03  9.1714000000e-03  4.0204000000e-03  9.0560000000e-04  4.3016000000e-03  1.7850000000e-04  3.5640000000e-03 -2.6801000000e-03  4.8881000000e-03 -4.0565000000e-03  3.4720000000e-03  2.3052000000e-03
-
-JOB 3
-COORDS  9.7358800000e-01 -7.1696600000e-01  4.7486500000e-01  1.6834180000e+00 -3.1210000000e-01 -2.3589000000e-02  1.1021710000e+00 -1.6578370000e+00  3.5461500000e-01 -1.0389830000e+00  7.7622800000e-01 -4.9765700000e-01 -2.6871200000e-01  2.5385500000e-01 -2.7395600000e-01 -1.5422490000e+00  8.2201600000e-01  3.1527400000e-01
-ENERGY -1.526588627304e+02
-FORCES -3.0362000000e-03 -7.6700000000e-05 -3.3371000000e-03 -7.1174000000e-03 -1.8383000000e-03  1.1438000000e-03  5.2310000000e-04  5.2454000000e-03  6.5120000000e-04  1.0244300000e-02 -1.0584900000e-02  9.6311000000e-03 -1.2937000000e-03  7.2980000000e-03 -5.8744000000e-03  6.7980000000e-04 -4.3500000000e-05 -2.2146000000e-03
-
-JOB 4
-COORDS -7.1425600000e-01 -1.1194350000e+00  3.6137400000e-01 -1.3307190000e+00 -1.1679340000e+00  1.0920270000e+00 -5.2096900000e-01 -1.8622400000e-01  2.7199900000e-01  7.4743300000e-01  1.0111060000e+00 -3.6601700000e-01  5.1916700000e-01  1.1728520000e+00 -1.2814210000e+00  7.9270200000e-01  1.8824540000e+00  2.7601000000e-02
-ENERGY -1.526583826825e+02
-FORCES  6.7593000000e-03  1.0425000000e-02 -1.6926000000e-03  2.9054000000e-03  2.4964000000e-03 -2.1822000000e-03 -8.1539000000e-03 -6.5051000000e-03  1.9439000000e-03 -1.5600000000e-04 -9.1220000000e-04 -2.1942000000e-03  2.2540000000e-04 -4.2160000000e-04  5.8777000000e-03 -1.5802000000e-03 -5.0825000000e-03 -1.7527000000e-03
-
-JOB 5
-COORDS  9.1473000000e-02 -1.1685750000e+00  6.0364200000e-01 -8.3648000000e-02 -1.9593940000e+00  9.3574000000e-02  1.0329360000e+00 -1.1965920000e+00  7.7421300000e-01 -8.0716000000e-02  1.2331820000e+00 -6.1295200000e-01 -2.7591100000e-01  3.9202500000e-01 -1.9993000000e-01 -8.8128800000e-01  1.7461780000e+00 -5.0272200000e-01
-ENERGY -1.526610928145e+02
-FORCES  4.3808000000e-03  2.6625000000e-03 -3.3344000000e-03  1.2977000000e-03  4.3220000000e-03  2.3224000000e-03 -5.1838000000e-03 -1.2942000000e-03 -1.1771000000e-03 -1.0457000000e-03 -1.1915100000e-02  6.9500000000e-03 -1.2095000000e-03  9.6290000000e-03 -5.2332000000e-03  1.7606000000e-03 -3.4041000000e-03  4.7240000000e-04
-
-JOB 6
-COORDS -1.7930000000e-03  1.3056760000e+00  3.5043000000e-02 -9.2162800000e-01  1.5620280000e+00  1.0151300000e-01  4.6540200000e-01  1.9471890000e+00  5.7022700000e-01 -4.4548000000e-02 -1.3808990000e+00 -7.3696000000e-02  7.4190900000e-01 -1.9065220000e+00  7.2721000000e-02  2.7959600000e-01 -4.8524500000e-01 -1.6839300000e-01
-ENERGY -1.526598439464e+02
-FORCES -3.5066000000e-03 -4.5825000000e-03  2.8391000000e-03  5.1091000000e-03  7.9670000000e-04  1.2700000000e-04 -2.8395000000e-03 -2.6132000000e-03 -2.1902000000e-03  2.1823000000e-03  1.2371100000e-02  7.1910000000e-04 -1.5252000000e-03  3.5640000000e-03 -5.3000000000e-06  5.7990000000e-04 -9.5361000000e-03 -1.4897000000e-03
-
-JOB 7
-COORDS  5.5124300000e-01  5.1406300000e-01 -1.0831100000e+00  9.1872700000e-01  1.2436000000e+00 -5.8414800000e-01  1.2540050000e+00  2.5190700000e-01 -1.6777800000e+00 -6.3955500000e-01 -6.0866500000e-01  1.1044550000e+00 -1.2575400000e-01 -2.9623300000e-01  3.5972200000e-01 -7.8860900000e-01  1.7217700000e-01  1.6376540000e+00
-ENERGY -1.526581751102e+02
-FORCES  1.9185000000e-03 -1.1679000000e-03  1.3988000000e-03 -3.0745000000e-03 -6.0215000000e-03 -3.1460000000e-04 -3.2911000000e-03  2.6106000000e-03  3.2271000000e-03  4.8933000000e-03  5.9911000000e-03 -1.1598500000e-02 -2.2385000000e-03 -7.9800000000e-05  9.9190000000e-03  1.7923000000e-03 -1.3325000000e-03 -2.6317000000e-03
-
-JOB 8
-COORDS -6.7783400000e-01  1.0249000000e-02  1.2078000000e+00 -2.4783300000e-01 -8.4430500000e-01  1.2404850000e+00 -1.3636350000e+00 -9.1268000000e-02  5.4779700000e-01  6.9572700000e-01  9.7810000000e-02 -1.2041170000e+00  3.9653500000e-01 -2.9154000000e-02 -3.0378600000e-01  9.3871400000e-01 -7.7876200000e-01 -1.5021280000e+00
-ENERGY -1.526541224347e+02
-FORCES -3.5032000000e-03 -3.0099000000e-03 -3.5140000000e-03  1.4955000000e-03  7.2476000000e-03 -6.3648000000e-03  7.0569000000e-03  2.1940000000e-04  2.4258000000e-03 -3.1366000000e-03  2.9710000000e-04  1.0681700000e-02  5.5140000000e-04 -7.3139000000e-03 -6.9103000000e-03 -2.4640000000e-03  2.5597000000e-03  3.6817000000e-03
-
-JOB 9
-COORDS  8.0834200000e-01 -4.2706700000e-01  1.0291320000e+00  6.8960000000e-02 -9.8785700000e-01  1.2637840000e+00  5.7468600000e-01  4.3483100000e-01  1.3737600000e+00 -7.7339700000e-01  4.7372900000e-01 -1.0666110000e+00  4.4931000000e-02  1.7835300000e-01 -6.6745600000e-01 -1.1819760000e+00 -3.2650500000e-01 -1.3966420000e+00
-ENERGY -1.526586403853e+02
-FORCES -8.7156000000e-03  2.6887000000e-03  2.0035000000e-03  3.6784000000e-03  2.1042000000e-03 -2.3629000000e-03  1.7100000000e-03 -4.3610000000e-03 -3.7980000000e-03  8.4607000000e-03 -7.4402000000e-03  6.1013000000e-03 -6.3625000000e-03  4.9084000000e-03 -4.3381000000e-03  1.2291000000e-03  2.0999000000e-03  2.3942000000e-03
-
-JOB 10
-COORDS -1.4042400000e-01 -4.8397400000e-01 -1.2080280000e+00  1.6522200000e-01 -1.1056400000e-01 -2.0346940000e+00 -8.1350000000e-02 -1.4307450000e+00 -1.3359670000e+00  7.6565000000e-02  4.9689900000e-01  1.3155900000e+00 -4.4143000000e-02  2.6046500000e-01  3.9593800000e-01  8.8890300000e-01  1.0030310000e+00  1.3286310000e+00
-ENERGY -1.526602804557e+02
-FORCES  1.7616000000e-03 -4.0670000000e-04  3.9086000000e-03 -8.3940000000e-04 -2.8821000000e-03  3.8683000000e-03  5.9100000000e-05  5.0181000000e-03 -1.3814000000e-03  8.9610000000e-04 -4.0116000000e-03 -1.3725100000e-02  2.8670000000e-04  3.6321000000e-03  8.3063000000e-03 -2.1641000000e-03 -1.3497000000e-03 -9.7670000000e-04
-
-JOB 11
-COORDS -2.7715100000e-01 -1.2678570000e+00  3.0221900000e-01 -4.0995200000e-01 -1.8704030000e+00 -4.2958300000e-01  4.0321600000e-01 -1.6816470000e+00  8.3336000000e-01  1.9098200000e-01  1.3626100000e+00 -3.0644100000e-01  2.4401900000e-01  5.9684100000e-01  2.6541300000e-01  1.0808340000e+00  1.4744230000e+00 -6.4094500000e-01
-ENERGY -1.526564595283e+02
-FORCES -1.2900000000e-04  3.0360000000e-04 -6.3954000000e-03  1.1986000000e-03  9.4570000000e-04  4.6365000000e-03 -2.1042000000e-03  5.0106000000e-03 -3.3478000000e-03 -2.7010000000e-04 -1.2434500000e-02  1.9810000000e-03  4.0958000000e-03  7.6771000000e-03  1.9432000000e-03 -2.7911000000e-03 -1.5025000000e-03  1.1824000000e-03
-
-JOB 12
-COORDS -1.8880000000e-03  9.1884100000e-01 -1.0622830000e+00  1.2888900000e-01  1.9382000000e-02 -7.6211100000e-01 -7.3714300000e-01  8.6362700000e-01 -1.6726790000e+00  2.0955000000e-02 -8.6389300000e-01  1.0128940000e+00  4.9234000000e-01 -1.5510340000e+00  1.4839190000e+00 -1.2274100000e-01 -1.7986800000e-01  1.6668770000e+00
-ENERGY -1.526601089134e+02
-FORCES -1.0043000000e-03 -8.6890000000e-03  5.1964000000e-03 -2.6350000000e-04  5.4647000000e-03 -6.9455000000e-03  2.1875000000e-03 -6.1860000000e-04  2.6894000000e-03  1.5120000000e-04  5.3462000000e-03  2.1273000000e-03 -2.0220000000e-03  3.7771000000e-03 -1.9283000000e-03  9.5110000000e-04 -5.2803000000e-03 -1.1394000000e-03
-
-JOB 13
-COORDS  9.1794600000e-01  4.9738500000e-01 -9.6800700000e-01  7.0560300000e-01  5.0560000000e-02 -1.7874520000e+00  9.3302000000e-02  5.1253200000e-01 -4.8224500000e-01 -9.0009200000e-01 -4.1882900000e-01  9.6081900000e-01 -4.6057900000e-01 -4.6164900000e-01  1.8100690000e+00 -6.6452800000e-01 -1.2389490000e+00  5.2706300000e-01
-ENERGY -1.526589083915e+02
-FORCES -8.8746000000e-03 -1.3937000000e-03  5.5361000000e-03 -1.3440000000e-04 -1.7200000000e-05  4.1473000000e-03  5.8243000000e-03  2.1230000000e-04 -7.6167000000e-03  7.2714000000e-03 -3.3118000000e-03  1.3177000000e-03 -2.5465000000e-03 -5.5340000000e-04 -3.7828000000e-03 -1.5403000000e-03  5.0638000000e-03  3.9830000000e-04
-
-JOB 14
-COORDS  6.3508000000e-02 -1.1566390000e+00 -7.5077800000e-01  3.8721000000e-02 -1.7444780000e+00  4.2470000000e-03 -8.5244500000e-01 -1.0637100000e+00 -1.0127450000e+00  6.4240000000e-03  1.2470500000e+00  7.0848600000e-01 -1.2873500000e-01  5.0406500000e-01  1.2032200000e-01 -1.8116300000e-01  8.9997100000e-01  1.5805970000e+00
-ENERGY -1.526568009837e+02
-FORCES -1.3613000000e-03 -3.2579000000e-03  2.3824000000e-03 -7.7440000000e-04  4.9045000000e-03 -3.1803000000e-03  5.9648000000e-03  3.4085000000e-03  4.5283000000e-03  1.7094000000e-03 -1.2207400000e-02 -5.0547000000e-03 -5.9543000000e-03  7.2406000000e-03  4.4598000000e-03  4.1580000000e-04 -8.8200000000e-05 -3.1356000000e-03
-
-JOB 15
-COORDS -1.2905600000e+00  3.6374500000e-01 -2.3919000000e-01 -1.0886000000e+00  1.2775290000e+00 -4.4029300000e-01 -1.9000750000e+00  9.5727000000e-02 -9.2686000000e-01  1.3368510000e+00 -4.6434000000e-01  2.8824200000e-01  1.8203730000e+00  3.6123100000e-01  3.1774700000e-01  4.2428500000e-01 -2.0366800000e-01  1.6372400000e-01
-ENERGY -1.526594837044e+02
-FORCES  8.0400000000e-05 -3.5730000000e-04 -4.1020000000e-03  1.1024000000e-03 -5.6296000000e-03  1.1888000000e-03  2.3330000000e-03  2.9609000000e-03  3.2929000000e-03 -1.0907500000e-02  3.9957000000e-03 -1.9119000000e-03 -2.8642000000e-03 -1.6416000000e-03 -6.3080000000e-04  1.0255900000e-02  6.7180000000e-04  2.1630000000e-03
-
-JOB 16
-COORDS  7.1959400000e-01 -2.4804800000e-01  1.2070370000e+00  3.3327900000e-01 -3.0397000000e-01  3.3304300000e-01  1.6638590000e+00 -2.2950500000e-01  1.0513090000e+00 -7.2272600000e-01  1.9919800000e-01 -1.1169410000e+00 -3.5517800000e-01  5.5384900000e-01 -1.9264860000e+00 -1.5118610000e+00  7.1886000000e-01 -9.6380600000e-01
-ENERGY -1.526603509031e+02
-FORCES -4.2698000000e-03  1.7634000000e-03 -1.1150300000e-02  5.6282000000e-03 -2.6548000000e-03  7.8293000000e-03 -3.0764000000e-03  2.6320000000e-04 -8.4490000000e-04 -1.4700000000e-05  3.9430000000e-03  2.8399000000e-03 -1.9308000000e-03 -1.1825000000e-03  3.9503000000e-03  3.6634000000e-03 -2.1324000000e-03 -2.6243000000e-03
-
-JOB 17
-COORDS -8.7900100000e-01  1.0789940000e+00 -2.9672300000e-01 -3.2235900000e-01  4.8354300000e-01 -7.9853900000e-01 -1.7380130000e+00  6.5674300000e-01 -2.9077800000e-01  8.5945900000e-01 -9.6708300000e-01  3.1386200000e-01  1.6623050000e+00 -1.0740820000e+00  8.2398100000e-01  6.9455500000e-01 -1.8332830000e+00 -5.8610000000e-02
-ENERGY -1.526537064255e+02
-FORCES  5.3415000000e-03 -1.0217600000e-02  2.4157000000e-03 -4.6815000000e-03  3.4685000000e-03 -3.2035000000e-03  2.8336000000e-03  1.1311000000e-03 -2.8470000000e-04  1.1479000000e-03  1.7890000000e-04  2.7430000000e-03 -4.0571000000e-03 -1.5450000000e-04 -2.2949000000e-03 -5.8440000000e-04  5.5935000000e-03  6.2440000000e-04
-
-JOB 18
-COORDS -6.2315600000e-01  5.4155000000e-01  1.0493020000e+00 -7.0160300000e-01 -8.1595000000e-02  1.7716380000e+00 -1.0631520000e+00  1.3310130000e+00  1.3645540000e+00  6.1675700000e-01 -5.8111000000e-01 -1.1635950000e+00  1.5594940000e+00 -6.3056600000e-01 -1.0053810000e+00  2.8084800000e-01 -4.3949000000e-02 -4.4606100000e-01
-ENERGY -1.526610393194e+02
-FORCES -6.4590000000e-04 -1.5037000000e-03 -3.5700000000e-04  1.6920000000e-04  4.2994000000e-03 -2.5385000000e-03  1.6922000000e-03 -4.4717000000e-03  9.5100000000e-05 -3.0773000000e-03  5.8435000000e-03  8.9957000000e-03 -3.0773000000e-03  2.2750000000e-04  5.4010000000e-04  4.9391000000e-03 -4.3950000000e-03 -6.7354000000e-03
-
-JOB 19
-COORDS  7.5591300000e-01  2.0767500000e-01  1.2228320000e+00  1.1259000000e-01  1.2139100000e-01  5.1932500000e-01  1.3322190000e+00  9.1587200000e-01  9.3549800000e-01 -7.2313600000e-01 -2.1494100000e-01 -1.1105790000e+00 -6.5963800000e-01  6.3977000000e-02 -2.0240360000e+00 -1.2641360000e+00 -1.0041280000e+00 -1.1376790000e+00
-ENERGY -1.526601060223e+02
-FORCES -4.5683000000e-03  7.2560000000e-04 -1.1841600000e-02  2.3825000000e-03 -6.7300000000e-05  8.2757000000e-03 -1.3433000000e-03 -1.7617000000e-03  7.5420000000e-04  2.0810000000e-03 -7.2190000000e-04 -2.3000000000e-04 -1.1659000000e-03 -2.3915000000e-03  3.5754000000e-03  2.6140000000e-03  4.2169000000e-03 -5.3370000000e-04
-
-JOB 20
-COORDS -2.8447900000e-01  1.3919760000e+00 -2.2481100000e-01 -2.6340800000e-01  4.3822700000e-01 -1.4639000000e-01 -1.2156080000e+00  1.6081490000e+00 -2.7480500000e-01  3.3689100000e-01 -1.2875540000e+00  1.8293500000e-01  1.1335130000e+00 -1.7166880000e+00  4.9513600000e-01 -3.7623300000e-01 -1.8229190000e+00  5.3088800000e-01
-ENERGY -1.526596154546e+02
-FORCES  1.7189000000e-03 -1.0384400000e-02  1.1893000000e-03 -5.7932000000e-03  8.2605000000e-03 -1.4807000000e-03  2.7139000000e-03 -2.6265000000e-03  6.6580000000e-04  2.9605000000e-03  1.2800000000e-03  2.3876000000e-03 -4.7429000000e-03 -1.8410000000e-04 -9.9880000000e-04  3.1428000000e-03  3.6545000000e-03 -1.7631000000e-03
-
-JOB 21
-COORDS -6.7899000000e-01 -1.1543660000e+00 -5.5014000000e-01 -1.2649420000e+00 -1.5375300000e+00  1.0260600000e-01 -1.4737600000e-01 -5.2894900000e-01 -5.7725000000e-02  7.4685600000e-01  1.1204700000e+00  4.6196800000e-01  1.3248200000e-01  6.5410600000e-01  1.0287850000e+00  2.7753000000e-01  1.9123660000e+00  1.9954600000e-01
-ENERGY -1.526508103718e+02
-FORCES  4.8908000000e-03  4.8962000000e-03  1.9677000000e-03  3.3096000000e-03  4.0253000000e-03 -1.2094000000e-03 -6.5073000000e-03 -1.4731000000e-03  8.6102000000e-03 -6.2904000000e-03  3.4274000000e-03 -9.9130000000e-04  1.6473000000e-03 -7.1423000000e-03 -1.0646600000e-02  2.9502000000e-03 -3.7335000000e-03  2.2694000000e-03
-
-JOB 22
-COORDS -7.6349000000e-01  1.0034200000e+00 -6.4792500000e-01 -1.5571800000e+00  9.5718600000e-01 -1.1486600000e-01 -8.0091900000e-01  2.2392700000e-01 -1.2022010000e+00  8.8759800000e-01 -9.4469500000e-01  6.3869700000e-01  3.7332900000e-01 -1.6940660000e+00  9.3903500000e-01  2.3780500000e-01 -2.6720000000e-01  4.5161100000e-01
-ENERGY -1.526574348761e+02
-FORCES -3.2627000000e-03 -1.7926000000e-03 -3.9433000000e-03  6.3972000000e-03 -2.1894000000e-03 -1.1160000000e-03  8.1920000000e-04  3.0725000000e-03  6.7100000000e-03 -5.8907000000e-03  7.1927000000e-03 -1.5947000000e-03  2.5010000000e-04  3.8118000000e-03 -2.3373000000e-03  1.6868000000e-03 -1.0094900000e-02  2.2813000000e-03
-
-JOB 23
-COORDS -3.9117500000e-01  3.8893800000e-01  1.3705060000e+00  2.5215600000e-01  4.2059300000e-01  6.6244200000e-01 -9.4385500000e-01 -3.6346000000e-01  1.1591440000e+00  3.9301400000e-01 -3.4913800000e-01 -1.2435740000e+00  1.0203590000e+00 -4.7058000000e-02 -1.9003980000e+00 -3.7023000000e-01 -6.2640400000e-01 -1.7503430000e+00
-ENERGY -1.526583957129e+02
-FORCES  2.6615000000e-03 -5.5731000000e-03 -1.1779100000e-02  3.3810000000e-04  3.2938000000e-03  6.5366000000e-03 -4.8370000000e-04  1.9690000000e-03  1.6477000000e-03 -3.1357000000e-03  6.2910000000e-04 -1.8753000000e-03 -3.3100000000e-03 -9.8950000000e-04  3.3689000000e-03  3.9298000000e-03  6.7070000000e-04  2.1012000000e-03
-
-JOB 24
-COORDS  3.8254600000e-01 -1.3915410000e+00 -5.8538000000e-02  3.6540700000e-01 -1.9227020000e+00  7.3758200000e-01 -8.0114000000e-02 -5.8797800000e-01  1.7908400000e-01 -3.7629500000e-01  1.3384720000e+00  5.4669000000e-02  3.1846200000e-01  1.1486060000e+00 -5.7580300000e-01 -7.3865700000e-01  2.1765420000e+00 -2.3266900000e-01
-ENERGY -1.526598471552e+02
-FORCES -4.4032000000e-03  4.2724000000e-03  4.8760000000e-03 -4.7690000000e-04  1.9825000000e-03 -2.4397000000e-03  7.0801000000e-03 -3.9125000000e-03 -4.1513000000e-03  4.5460000000e-04  2.0584000000e-03 -3.5198000000e-03 -5.7856000000e-03 -1.4098000000e-03  4.7645000000e-03  3.1310000000e-03 -2.9911000000e-03  4.7030000000e-04
-
-JOB 25
-COORDS -6.3333100000e-01 -8.0754100000e-01  9.3713900000e-01 -7.7353400000e-01 -1.5560960000e+00  3.5727600000e-01 -3.5746500000e-01 -1.1955890000e+00  1.7675300000e+00  6.5877100000e-01  9.3689400000e-01 -9.6583800000e-01  6.2009800000e-01  4.5307200000e-01 -1.4082100000e-01  1.1721500000e-01  4.2726800000e-01 -1.5685250000e+00
-ENERGY -1.526582562304e+02
-FORCES -1.0650000000e-03 -4.2325000000e-03  3.5530000000e-04  1.4541000000e-03  4.4622000000e-03  2.0918000000e-03 -7.7350000000e-04  2.0678000000e-03 -4.6544000000e-03 -6.9343000000e-03 -7.2528000000e-03  6.5918000000e-03  5.4270000000e-03  3.9784000000e-03 -5.0272000000e-03  1.8915000000e-03  9.7700000000e-04  6.4270000000e-04
-
-JOB 26
-COORDS -7.2623100000e-01  1.1449260000e+00  6.4765900000e-01 -6.2356300000e-01  7.5625700000e-01 -2.2103500000e-01 -1.1627000000e-02  7.7158200000e-01  1.1635930000e+00  6.3468400000e-01 -1.0518410000e+00 -6.4566200000e-01  1.4963080000e+00 -1.2134000000e+00 -1.0300260000e+00  5.3154500000e-01 -1.7410850000e+00  1.0491000000e-02
-ENERGY -1.526585904503e+02
-FORCES  7.4337000000e-03 -8.0457000000e-03 -5.2109000000e-03 -3.9556000000e-03  4.7258000000e-03  2.0737000000e-03 -2.5595000000e-03  1.6940000000e-03  1.7906000000e-03  1.4676000000e-03 -2.8993000000e-03  1.3581000000e-03 -3.9025000000e-03  6.7930000000e-04  2.5632000000e-03  1.5162000000e-03  3.8460000000e-03 -2.5747000000e-03
-
-JOB 27
-COORDS  6.5325500000e-01  1.1831190000e+00  5.5497900000e-01  1.4198090000e+00  6.9775100000e-01  2.4994800000e-01  4.1143000000e-01  1.7396960000e+00 -1.8527400000e-01 -6.7772900000e-01 -1.2421900000e+00 -4.5981000000e-01 -4.8266000000e-02 -5.2194700000e-01 -4.9528400000e-01 -1.3986740000e+00 -9.5874800000e-01 -1.0220640000e+00
-ENERGY -1.526529508042e+02
-FORCES  2.4586000000e-03  2.0363000000e-03 -1.1002000000e-03 -7.8860000000e-03 -3.5810000000e-04 -8.5880000000e-04  9.5700000000e-05 -5.5207000000e-03  2.7646000000e-03  3.4090000000e-04  9.3045000000e-03  2.4040000000e-03  2.0693000000e-03 -4.9014000000e-03 -5.0743000000e-03  2.9215000000e-03 -5.6060000000e-04  1.8647000000e-03
-
-JOB 28
-COORDS -8.3761600000e-01  7.1684500000e-01 -9.4212500000e-01 -1.1029990000e+00  7.5288000000e-02 -2.8318000000e-01 -1.3755560000e+00  5.1193500000e-01 -1.7068890000e+00  9.4388400000e-01 -6.8698800000e-01  9.5845200000e-01  5.1093900000e-01 -6.3790800000e-01  1.0617200000e-01  2.9289200000e-01 -3.5685500000e-01  1.5776890000e+00
-ENERGY -1.526518713056e+02
-FORCES -4.5319000000e-03 -1.4251000000e-03 -5.8710000000e-04  7.9915000000e-03  8.9300000000e-05 -1.6479000000e-03  3.0880000000e-03  6.9160000000e-04  4.1645000000e-03 -2.8042000000e-03  5.8177000000e-03 -3.7791000000e-03 -4.5346000000e-03 -2.9564000000e-03  5.7686000000e-03  7.9120000000e-04 -2.2170000000e-03 -3.9190000000e-03
-
-JOB 29
-COORDS -5.6907900000e-01 -5.7237500000e-01 -1.1594330000e+00  5.4149000000e-02 -1.1232210000e+00 -1.6331280000e+00 -8.4567700000e-01  8.2722000000e-02 -1.8001930000e+00  6.0945000000e-01  5.5831100000e-01  1.2574340000e+00 -5.8688000000e-02  1.2177960000e+00  1.4442620000e+00  2.2842300000e-01  2.0628000000e-02  5.6321000000e-01
-ENERGY -1.526609825050e+02
-FORCES  1.7560000000e-03  2.0633000000e-03 -4.4698000000e-03 -2.9828000000e-03  3.2284000000e-03  2.4846000000e-03  1.1983000000e-03 -3.6065000000e-03  2.5470000000e-03 -7.2043000000e-03 -2.6111000000e-03 -8.0304000000e-03  2.0935000000e-03 -1.4178000000e-03 -6.9630000000e-04  5.1394000000e-03  2.3438000000e-03  8.1649000000e-03
-
-JOB 30
-COORDS  2.4239400000e-01  2.5065500000e-01 -1.4868190000e+00 -2.6279400000e-01  5.5999800000e-01 -7.3493900000e-01  7.9148400000e-01 -4.5008100000e-01 -1.1351060000e+00 -2.2642700000e-01 -1.7058400000e-01  1.4625330000e+00  3.3982700000e-01 -8.7378100000e-01  1.1445660000e+00 -1.0912500000e+00 -3.8109000000e-01  1.1103970000e+00
-ENERGY -1.526537270522e+02
-FORCES  1.4838000000e-03  2.3170000000e-04  9.6365000000e-03 -1.9921000000e-03 -2.3759000000e-03 -5.5043000000e-03 -2.1343000000e-03  3.2170000000e-04 -5.1730000000e-04 -8.2400000000e-04 -5.7221000000e-03 -1.5850000000e-03 -1.8793000000e-03  4.1671000000e-03 -1.1770000000e-03  5.3458000000e-03  3.3774000000e-03 -8.5300000000e-04
-
-JOB 31
-COORDS  2.7926800000e-01 -1.2047560000e+00  8.8765300000e-01  5.6461800000e-01 -1.8586600000e+00  2.4951800000e-01 -2.7852000000e-02 -4.6966300000e-01  3.5704200000e-01 -3.2449900000e-01  1.1540810000e+00 -7.8528600000e-01 -8.2800000000e-04  1.0831550000e+00 -1.6833060000e+00  1.1789100000e-01  1.9254260000e+00 -4.3095600000e-01
-ENERGY -1.526612322003e+02
-FORCES -2.1048000000e-03  5.9822000000e-03 -7.6794000000e-03 -7.2370000000e-04  2.2414000000e-03  1.5043000000e-03  2.5409000000e-03 -8.2478000000e-03  6.1512000000e-03  3.4837000000e-03  3.7024000000e-03 -2.0918000000e-03 -1.1319000000e-03  1.9170000000e-04  4.5884000000e-03 -2.0642000000e-03 -3.8699000000e-03 -2.4727000000e-03
-
-JOB 32
-COORDS -2.0901200000e-01 -5.4644500000e-01 -1.3070940000e+00 -8.8114500000e-01 -1.3736100000e-01 -1.8521810000e+00  6.0053000000e-01 -4.4485200000e-01 -1.8076450000e+00  2.0472500000e-01  4.5968100000e-01  1.4160590000e+00  1.1445900000e-01  1.3859190000e+00  1.6400400000e+00  2.5112000000e-01  4.4737000000e-01  4.6006300000e-01
-ENERGY -1.526588902012e+02
-FORCES -1.7385000000e-03 -1.0456000000e-03 -5.3781000000e-03  3.9962000000e-03 -1.4473000000e-03  2.7082000000e-03 -4.1246000000e-03  1.1883000000e-03  4.1073000000e-03 -1.7244000000e-03 -6.4930000000e-04 -7.7277000000e-03 -4.6500000000e-05 -3.2295000000e-03 -2.0605000000e-03  3.6378000000e-03  5.1834000000e-03  8.3507000000e-03
-
-JOB 33
-COORDS  5.7526400000e-01 -1.1112830000e+00  7.0576500000e-01  1.0335570000e+00 -1.5803260000e+00  1.4030430000e+00  1.4426000000e-01 -1.7983490000e+00  1.9742700000e-01 -5.8066900000e-01  1.2395490000e+00 -7.1955000000e-01 -4.4634000000e-02  7.2636900000e-01 -1.1494700000e-01 -1.0342870000e+00  5.8609800000e-01 -1.2519640000e+00
-ENERGY -1.526593765422e+02
-FORCES  3.9620000000e-04 -4.2891000000e-03  1.4022000000e-03 -2.4242000000e-03  9.6140000000e-04 -3.5779000000e-03  1.7546000000e-03  3.5906000000e-03  2.1006000000e-03  2.7729000000e-03 -7.9146000000e-03  3.5395000000e-03 -3.6045000000e-03  6.0382000000e-03 -4.7281000000e-03  1.1050000000e-03  1.6135000000e-03  1.2637000000e-03
-
-JOB 34
-COORDS  7.6916000000e-02  2.6170200000e-01  1.4357550000e+00 -8.3390900000e-01  1.9675600000e-01  1.7228300000e+00  5.2030000000e-01 -4.6183400000e-01  1.8786310000e+00 -8.8375000000e-02 -1.7188900000e-01 -1.5253130000e+00  1.6225800000e-01 -1.0826210000e+00 -1.6801760000e+00  3.1155800000e-01  4.7301000000e-02 -6.8374200000e-01
-ENERGY -1.526597632184e+02
-FORCES -4.7914000000e-03 -2.5887000000e-03  3.3986000000e-03  4.8545000000e-03 -9.4100000000e-05  4.9200000000e-05 -2.1017000000e-03  2.8365000000e-03 -3.3488000000e-03  2.3666000000e-03 -7.8310000000e-04  8.2494000000e-03 -8.4130000000e-04  2.8115000000e-03  1.0806000000e-03  5.1340000000e-04 -2.1821000000e-03 -9.4290000000e-03
-
-JOB 35
-COORDS -1.2524220000e+00 -8.8067000000e-01 -1.6436600000e-01 -1.0617330000e+00 -1.6126290000e+00  4.2224000000e-01 -8.0849200000e-01 -1.3198700000e-01  2.3392000000e-01  1.1573770000e+00  8.5346800000e-01  1.1559700000e-01  1.5880750000e+00  1.4353490000e+00  7.4181200000e-01  1.7914140000e+00  7.5359600000e-01 -5.9451200000e-01
-ENERGY -1.526593381285e+02
-FORCES  7.1572000000e-03  3.1382000000e-03  3.7130000000e-03 -8.6850000000e-04  2.0805000000e-03 -1.9404000000e-03 -7.1939000000e-03 -4.2083000000e-03  8.2800000000e-05  4.4473000000e-03  5.0640000000e-04 -3.2077000000e-03 -2.0844000000e-03 -3.0517000000e-03 -2.7415000000e-03 -1.4579000000e-03  1.5349000000e-03  4.0939000000e-03
-
-JOB 36
-COORDS -8.6995500000e-01 -9.8305100000e-01 -8.1383600000e-01 -3.6601100000e-01 -2.6905400000e-01 -4.2334800000e-01 -3.0932800000e-01 -1.3176560000e+00 -1.5138140000e+00  8.0725900000e-01  9.0415200000e-01  8.0375400000e-01  9.5353000000e-02  1.4686960000e+00  1.1049410000e+00  1.6046480000e+00  1.3880490000e+00  1.0188020000e+00
-ENERGY -1.526599187011e+02
-FORCES  8.0281000000e-03  3.4615000000e-03  1.6391000000e-03 -7.7388000000e-03 -3.0080000000e-03 -3.3591000000e-03 -1.9439000000e-03  7.7480000000e-04  1.9132000000e-03  2.3321000000e-03  3.5955000000e-03  2.6965000000e-03  3.3712000000e-03 -3.4321000000e-03 -2.9210000000e-03 -4.0488000000e-03 -1.3917000000e-03  3.1300000000e-05
-
-JOB 37
-COORDS -6.1434400000e-01 -1.0427070000e+00 -9.4177700000e-01 -1.5629800000e-01 -3.4238800000e-01 -1.4065120000e+00 -1.4703470000e+00 -6.7033900000e-01 -7.3003800000e-01  6.4987200000e-01  9.7809100000e-01  8.8600400000e-01  8.6769500000e-01  1.6823480000e+00  1.4965830000e+00  2.5948700000e-01  2.9739900000e-01  1.4341740000e+00
-ENERGY -1.526569890328e+02
-FORCES  6.8250000000e-04  7.8041000000e-03 -6.9640000000e-04 -2.9349000000e-03 -4.4753000000e-03 -6.9240000000e-04  2.8584000000e-03 -2.2693000000e-03  1.0880000000e-04 -5.5680000000e-04 -2.8508000000e-03  4.4155000000e-03 -1.4418000000e-03 -3.3415000000e-03 -2.7746000000e-03  1.3926000000e-03  5.1327000000e-03 -3.6090000000e-04
-
-JOB 38
-COORDS -3.3216400000e-01  3.9709300000e-01  1.4164800000e+00  2.2618000000e-02  1.2847820000e+00  1.3678120000e+00  4.0304500000e-01 -1.3926200000e-01  1.7131660000e+00  2.5432900000e-01 -4.6265400000e-01 -1.4813820000e+00  6.5851800000e-01  4.0140700000e-01 -1.5605000000e+00  5.1135000000e-02 -5.4817000000e-01 -5.4991400000e-01
-ENERGY -1.526574849386e+02
-FORCES  3.3783000000e-03  3.9480000000e-03  3.6222000000e-03 -1.1333000000e-03 -4.7047000000e-03 -5.2660000000e-04 -3.8864000000e-03  2.0257000000e-03 -4.8164000000e-03 -2.3699000000e-03  5.3144000000e-03  7.6740000000e-03 -5.2560000000e-04 -2.6171000000e-03 -1.3210000000e-04  4.5368000000e-03 -3.9663000000e-03 -5.8212000000e-03
-
-JOB 39
-COORDS -8.8745200000e-01  9.9592000000e-01 -7.8720000000e-01 -2.2844700000e-01  3.7549100000e-01 -4.7573300000e-01 -3.8868400000e-01  1.6506020000e+00 -1.2759280000e+00  8.5057100000e-01 -9.7145000000e-01  7.5091400000e-01  3.6336000000e-01 -5.1852300000e-01  1.4391830000e+00  6.7396700000e-01 -1.8998300000e+00  9.0307700000e-01
-ENERGY -1.526610222038e+02
-FORCES  6.6229000000e-03 -3.4506000000e-03 -3.6720000000e-04 -6.3141000000e-03  7.7059000000e-03 -8.6520000000e-04 -1.4465000000e-03 -2.3868000000e-03  1.8845000000e-03 -1.8195000000e-03 -4.4910000000e-03  4.8332000000e-03  1.9854000000e-03 -1.7814000000e-03 -5.7988000000e-03  9.7170000000e-04  4.4038000000e-03  3.1360000000e-04
-
-JOB 40
-COORDS -1.3798890000e+00  2.9545800000e-01 -5.9782300000e-01 -1.6159850000e+00  1.1186820000e+00 -1.0253660000e+00 -5.8104000000e-01  4.9831300000e-01 -1.1107600000e-01  1.3555630000e+00 -3.9153000000e-01  5.3664200000e-01  1.3517900000e+00  5.6041300000e-01  6.3675100000e-01  1.2373510000e+00 -7.2677400000e-01  1.4253880000e+00
-ENERGY -1.526538385486e+02
-FORCES  5.2893000000e-03  3.2160000000e-04  6.0330000000e-04  2.2378000000e-03 -3.1034000000e-03  2.1983000000e-03 -4.5811000000e-03  5.4406000000e-03 -4.9810000000e-04  2.0754000000e-03 -2.7520000000e-04  4.7963000000e-03 -5.4854000000e-03 -4.5840000000e-03 -2.4981000000e-03  4.6400000000e-04  2.2003000000e-03 -4.6017000000e-03
-
-JOB 41
-COORDS -3.7541400000e-01 -1.3160450000e+00  7.1717600000e-01 -4.1471500000e-01 -6.0136000000e-01  8.1635000000e-02 -1.2185580000e+00 -1.2820080000e+00  1.1690390000e+00  4.2228400000e-01  1.2247470000e+00 -6.6634200000e-01  1.2880400000e-01  2.1216080000e+00 -5.0589800000e-01  7.5574500000e-01  1.2382270000e+00 -1.5634780000e+00
-ENERGY -1.526596332560e+02
-FORCES -7.4240000000e-04  7.2353000000e-03 -2.6500000000e-03 -3.1182000000e-03 -8.5740000000e-03  3.1089000000e-03  2.7918000000e-03  4.7250000000e-04 -1.5307000000e-03  1.7220000000e-03  4.7451000000e-03 -1.8714000000e-03  1.4337000000e-03 -3.9942000000e-03 -1.3743000000e-03 -2.0869000000e-03  1.1530000000e-04  4.3176000000e-03
-
-JOB 42
-COORDS -4.4352600000e-01  4.1484700000e-01 -1.3680560000e+00 -1.1825270000e+00  8.6105900000e-01 -9.5452900000e-01 -7.7684500000e-01  1.3942200000e-01 -2.2220300000e+00  4.9872000000e-01 -4.4098800000e-01  1.4591470000e+00  1.2524390000e+00 -5.5720000000e-02  1.0122590000e+00 -1.6255000000e-01 -5.3833400000e-01  7.7396300000e-01
-ENERGY -1.526587130463e+02
-FORCES -3.9815000000e-03  2.0159000000e-03 -4.0501000000e-03  3.7887000000e-03 -4.0761000000e-03 -9.1960000000e-04  1.1979000000e-03  1.6303000000e-03  4.0916000000e-03  9.0410000000e-04  1.4297000000e-03 -9.3329000000e-03 -1.2755000000e-03 -1.2321000000e-03  3.7568000000e-03 -6.3380000000e-04  2.3220000000e-04  6.4542000000e-03
-
-JOB 43
-COORDS  2.4907800000e-01 -1.4733620000e+00  1.5217700000e-01  1.6005400000e-01 -2.0682850000e+00  8.9674000000e-01  1.1495530000e+00 -1.5974150000e+00 -1.4780300000e-01 -2.7924100000e-01  1.5803530000e+00 -1.6881600000e-01 -8.0043200000e-01  1.2154240000e+00 -8.8395100000e-01 -7.3944000000e-02  8.2826700000e-01  3.8656800000e-01
-ENERGY -1.526600002718e+02
-FORCES  3.7396000000e-03 -4.9284000000e-03  4.8680000000e-04  7.7500000000e-04  3.2273000000e-03 -3.3264000000e-03 -4.4220000000e-03  4.5580000000e-04  1.9586000000e-03 -1.2550000000e-03 -9.4049000000e-03 -4.8830000000e-04  1.3437000000e-03  3.0306000000e-03  1.3815000000e-03 -1.8120000000e-04  7.6196000000e-03 -1.2200000000e-05
-
-JOB 44
-COORDS -4.2954900000e-01  1.4400240000e+00  1.6762400000e-01 -9.9533800000e-01  2.2109050000e+00  2.1071200000e-01  4.2386000000e-01  1.7515440000e+00  4.6908900000e-01  4.5661700000e-01 -1.5536090000e+00 -2.1839900000e-01 -1.9610600000e-01 -9.9311600000e-01 -6.3796000000e-01  4.1083400000e-01 -1.3223270000e+00  7.0931000000e-01
-ENERGY -1.526585927241e+02
-FORCES  1.9772000000e-03  5.4076000000e-03  1.0939000000e-03  2.8161000000e-03 -3.3222000000e-03 -1.6070000000e-04 -4.4135000000e-03 -1.0974000000e-03 -5.0250000000e-04 -4.8543000000e-03  6.7525000000e-03  2.2920000000e-03  2.5954000000e-03 -5.6044000000e-03 -3.0790000000e-04  1.8791000000e-03 -2.1361000000e-03 -2.4148000000e-03
-
-JOB 45
-COORDS  1.1920590000e+00 -7.5607900000e-01  5.5612000000e-01  2.0330470000e+00 -9.5046000000e-01  9.6986800000e-01  7.7643600000e-01 -1.6110240000e+00  4.4405400000e-01 -1.2342600000e+00  8.7626600000e-01 -5.5539100000e-01 -3.6055500000e-01  4.8856400000e-01 -5.0481200000e-01 -1.7824900000e+00  1.8490000000e-01 -9.2645500000e-01
-ENERGY -1.526583886638e+02
-FORCES  3.3380000000e-03 -3.8449000000e-03  3.3096000000e-03 -3.9713000000e-03 -3.2140000000e-04 -1.4814000000e-03  1.4954000000e-03  4.4542000000e-03 -6.4830000000e-04  4.5629000000e-03 -4.3115000000e-03  6.5780000000e-04 -7.6071000000e-03  2.2197000000e-03 -3.4750000000e-03  2.1820000000e-03  1.8040000000e-03  1.6373000000e-03
-
-JOB 46
-COORDS -1.6107540000e+00 -5.2164000000e-02  3.0594000000e-01 -9.2414000000e-01 -5.1058300000e-01  7.9034200000e-01 -1.3843290000e+00  8.7428500000e-01  3.8752400000e-01  1.5224080000e+00 -3.4406000000e-02 -3.1881100000e-01  1.0989060000e+00  7.9282400000e-01 -5.4809100000e-01  2.4561930000e+00  1.2932000000e-01 -4.5098600000e-01
-ENERGY -1.526556172715e+02
-FORCES  5.4768000000e-03 -1.9600000000e-05  2.7757000000e-03 -5.3960000000e-03  2.4182000000e-03 -9.4130000000e-04  1.1500000000e-05 -2.9093000000e-03 -1.6803000000e-03  2.4416000000e-03  3.6143000000e-03 -3.3395000000e-03  1.8381000000e-03 -2.6396000000e-03  2.8456000000e-03 -4.3721000000e-03 -4.6410000000e-04  3.3980000000e-04
-
-JOB 47
-COORDS -4.8036800000e-01  1.0461700000e-01  1.5598660000e+00 -1.3630600000e-01 -1.3839800000e-01  7.0033400000e-01  7.6704000000e-02 -3.6283300000e-01  2.1822750000e+00  4.1619100000e-01 -4.0057000000e-02 -1.4883080000e+00 -1.5078400000e-01 -4.7012500000e-01 -2.1284740000e+00  1.2920030000e+00 -9.0533000000e-02 -1.8712410000e+00
-ENERGY -1.526602895769e+02
-FORCES  4.0664000000e-03 -1.9816000000e-03 -4.6796000000e-03 -2.9862000000e-03 -3.0290000000e-04  9.3209000000e-03 -1.6204000000e-03  1.5503000000e-03 -2.3658000000e-03  1.4848000000e-03 -8.4020000000e-04 -6.3224000000e-03  3.2187000000e-03  1.7783000000e-03  2.7364000000e-03 -4.1633000000e-03 -2.0390000000e-04  1.3104000000e-03
-
-JOB 48
-COORDS  3.5614000000e-02  4.6930000000e-01  1.5302990000e+00  6.0405000000e-01 -2.7826000000e-01  1.7154120000e+00 -7.7919800000e-01  2.7133000000e-01  1.9919500000e+00 -6.7216000000e-02 -4.0613600000e-01 -1.6159160000e+00  7.9223300000e-01  1.5243000000e-02 -1.6115070000e+00 -8.7173000000e-02 -9.1903900000e-01 -8.0797800000e-01
-ENERGY -1.526540360443e+02
-FORCES -2.0995000000e-03 -1.7925000000e-03  3.8996000000e-03 -2.8191000000e-03  2.5920000000e-03 -3.3050000000e-03  3.9508000000e-03  3.2870000000e-04 -2.1696000000e-03  2.9714000000e-03  2.8371000000e-03  6.9622000000e-03 -2.5023000000e-03 -2.5413000000e-03 -1.3507000000e-03  4.9880000000e-04 -1.4240000000e-03 -4.0364000000e-03
-
-JOB 49
-COORDS  1.3307430000e+00 -9.0492700000e-01  4.8227800000e-01  1.0175120000e+00 -3.8517700000e-01  1.2225330000e+00  5.5386300000e-01 -1.0435240000e+00 -5.9459000000e-02 -1.2337210000e+00  8.3386700000e-01 -5.0175400000e-01 -1.6171660000e+00  1.3681970000e+00 -1.1972340000e+00 -1.5769870000e+00  1.2116010000e+00  3.0800900000e-01
-ENERGY -1.526570269536e+02
-FORCES -6.9061000000e-03  4.1463000000e-03 -1.3403000000e-03  1.6893000000e-03 -2.1155000000e-03 -1.0270000000e-03  4.8945000000e-03 -2.8779000000e-03  2.7965000000e-03 -3.0626000000e-03  5.0316000000e-03 -6.7350000000e-04  1.3224000000e-03 -2.1108000000e-03  3.3464000000e-03  2.0624000000e-03 -2.0738000000e-03 -3.1021000000e-03
-
-JOB 50
-COORDS -1.7987300000e-01  1.0976720000e+00  1.1384410000e+00 -4.7728200000e-01  1.8469910000e+00  6.2239800000e-01  4.8316800000e-01  1.4592780000e+00  1.7265310000e+00  1.3085000000e-01 -1.2048370000e+00 -1.1851220000e+00 -3.1074500000e-01 -7.6025600000e-01 -4.6153800000e-01  1.0301950000e+00 -8.7856600000e-01 -1.1541970000e+00
-ENERGY -1.526592250029e+02
-FORCES  1.6917000000e-03  5.7677000000e-03  2.0943000000e-03  1.6811000000e-03 -3.8438000000e-03  2.2084000000e-03 -2.9039000000e-03 -9.7890000000e-04 -2.9493000000e-03  1.9265000000e-03  4.9749000000e-03  6.1976000000e-03 -8.6200000000e-05 -4.1914000000e-03 -6.1179000000e-03 -2.3093000000e-03 -1.7285000000e-03 -1.4330000000e-03
-
-JOB 51
-COORDS  1.2615000000e+00  7.4725800000e-01 -7.0053800000e-01  1.9836520000e+00  4.4368400000e-01 -1.5047300000e-01  1.0061210000e+00  1.5872890000e+00 -3.1927800000e-01 -1.2969680000e+00 -8.3720900000e-01  6.7576200000e-01 -5.1334100000e-01 -4.3411900000e-01  3.0202600000e-01 -2.0021300000e+00 -2.2156100000e-01  4.7587000000e-01
-ENERGY -1.526592994646e+02
-FORCES  6.0108000000e-03  4.3704000000e-03  1.6459000000e-03 -4.5255000000e-03  1.3148000000e-03 -2.2771000000e-03 -1.0580000000e-04 -5.1472000000e-03 -1.2968000000e-03  2.5843000000e-03  4.4198000000e-03 -4.9677000000e-03 -6.4523000000e-03 -3.1803000000e-03  5.7727000000e-03  2.4885000000e-03 -1.7775000000e-03  1.1229000000e-03
-
-JOB 52
-COORDS -9.7895400000e-01  9.8107000000e-01 -8.3087700000e-01 -1.6721130000e+00  1.5955150000e+00 -5.8959000000e-01 -1.7697100000e-01  1.5031360000e+00 -8.0847800000e-01  1.0239220000e+00 -1.0375960000e+00  8.6221800000e-01  9.5551800000e-01 -1.6231830000e+00  1.0813600000e-01  2.2845600000e-01 -5.0638100000e-01  8.2648800000e-01
-ENERGY -1.526591872187e+02
-FORCES -2.6050000000e-04  6.4131000000e-03 -1.4979000000e-03  3.4675000000e-03 -2.7232000000e-03 -7.5310000000e-04 -4.3599000000e-03 -2.8483000000e-03  7.3200000000e-04 -6.0283000000e-03  1.0920000000e-04 -4.6163000000e-03  1.3680000000e-03  1.5684000000e-03  2.9999000000e-03  5.8132000000e-03 -2.5192000000e-03  3.1354000000e-03
-
-JOB 53
-COORDS -7.9803300000e-01  1.1335810000e+00 -9.9336300000e-01 -1.5537620000e+00  6.5873900000e-01 -1.3392420000e+00 -1.3469500000e-01  4.5825000000e-01 -8.5144100000e-01  7.6086900000e-01 -1.1101050000e+00  9.8021100000e-01  1.7089740000e+00 -1.0657250000e+00  8.5627400000e-01  5.6085600000e-01 -3.7939800000e-01  1.5652700000e+00
-ENERGY -1.526588151091e+02
-FORCES  8.5200000000e-05 -6.9195000000e-03 -1.4790000000e-04  2.5328000000e-03  2.2000000000e-03  1.0404000000e-03 -2.7179000000e-03  6.2047000000e-03 -2.5348000000e-03  3.2732000000e-03  1.7063000000e-03  5.4965000000e-03 -4.7185000000e-03  4.8150000000e-04 -3.8330000000e-04  1.5452000000e-03 -3.6731000000e-03 -3.4709000000e-03
-
-JOB 54
-COORDS  6.1700000000e-03 -7.7974100000e-01 -1.4585170000e+00 -6.6017300000e-01 -1.1072830000e+00 -8.5441900000e-01  2.0502000000e-01 -1.5259740000e+00 -2.0240480000e+00 -1.5480000000e-03  8.5220200000e-01  1.5194240000e+00 -5.9476000000e-02  1.4119860000e+00  7.4513900000e-01  4.5790000000e-01  6.9317000000e-02  1.2157310000e+00
-ENERGY -1.526576166267e+02
-FORCES -2.7768000000e-03 -4.9823000000e-03 -1.9682000000e-03  4.4774000000e-03  1.5232000000e-03 -2.1897000000e-03 -1.1079000000e-03  3.0372000000e-03  2.7533000000e-03  3.5298000000e-03 -1.5340000000e-04 -6.0957000000e-03 -7.7290000000e-04 -1.4164000000e-03  4.3700000000e-03 -3.3496000000e-03  1.9917000000e-03  3.1303000000e-03
-
-JOB 55
-COORDS -6.1695700000e-01  1.6107910000e+00  1.2970800000e-01 -4.3935600000e-01  2.3179010000e+00 -4.9052200000e-01  7.0092000000e-02  9.6587100000e-01 -3.8444000000e-02  5.4381100000e-01 -1.5783710000e+00 -3.4875000000e-02  1.4411230000e+00 -1.5267800000e+00 -3.6411700000e-01  1.3436300000e-01 -2.2654380000e+00 -5.6072900000e-01
-ENERGY -1.526568380217e+02
-FORCES  3.3817000000e-03 -2.5688000000e-03 -2.4713000000e-03 -4.5060000000e-04 -3.0279000000e-03  2.1532000000e-03 -1.6315000000e-03  7.3717000000e-03  2.2000000000e-05  5.8990000000e-04 -5.9472000000e-03 -3.1924000000e-03 -4.5152000000e-03  1.5946000000e-03  1.1948000000e-03  2.6257000000e-03  2.5776000000e-03  2.2936000000e-03
-
-JOB 56
-COORDS -1.1526430000e+00 -6.0419100000e-01  1.1612260000e+00 -7.3541300000e-01 -7.5528200000e-01  3.1309600000e-01 -9.3703100000e-01 -1.3814460000e+00  1.6766080000e+00  1.1182700000e+00  6.1793400000e-01 -1.2021090000e+00  1.5994610000e+00  4.7189600000e-01 -3.8763900000e-01  6.0957500000e-01  1.4126310000e+00 -1.0411220000e+00
-ENERGY -1.526579566826e+02
-FORCES  1.9025000000e-03 -4.1646000000e-03 -2.7233000000e-03 -2.7124000000e-03  1.7860000000e-04  6.1876000000e-03 -3.3070000000e-04  3.2471000000e-03 -2.0942000000e-03  1.4407000000e-03  5.3160000000e-03  3.7175000000e-03 -2.5136000000e-03 -5.9900000000e-04 -3.9035000000e-03  2.2136000000e-03 -3.9782000000e-03 -1.1841000000e-03
-
-JOB 57
-COORDS  4.5720000000e-02 -1.0270890000e+00  1.4644140000e+00 -4.9204300000e-01 -7.5103700000e-01  2.2065980000e+00 -1.8240100000e-01 -4.1724700000e-01  7.6278400000e-01  2.0031000000e-02  9.2592600000e-01 -1.4416070000e+00  4.2034000000e-02  1.7921940000e+00 -1.0350010000e+00 -4.3104900000e-01  1.0632030000e+00 -2.2746210000e+00
-ENERGY -1.526577341742e+02
-FORCES -2.7628000000e-03  3.4949000000e-03 -2.3113000000e-03  2.0362000000e-03 -6.6070000000e-04 -2.8928000000e-03  4.7820000000e-04 -3.0122000000e-03  7.4538000000e-03 -1.0779000000e-03  4.6713000000e-03 -5.0352000000e-03 -8.8290000000e-04 -4.6243000000e-03 -8.4890000000e-04  2.2092000000e-03  1.3100000000e-04  3.6344000000e-03
-
-JOB 58
-COORDS  9.6391100000e-01  9.4066500000e-01 -1.1173390000e+00  1.6976900000e+00  1.1745860000e+00 -1.6857410000e+00  4.6161800000e-01  3.0267300000e-01 -1.6241910000e+00 -1.0088120000e+00 -9.6520300000e-01  1.1494930000e+00 -1.3353800000e+00 -2.4403100000e-01  1.6875420000e+00 -6.3778000000e-02 -8.2058200000e-01  1.1022950000e+00
-ENERGY -1.526573223361e+02
-FORCES  2.7360000000e-04 -1.0277000000e-03 -5.5866000000e-03 -3.1823000000e-03 -1.1058000000e-03  2.3214000000e-03  3.4343000000e-03  2.8848000000e-03  1.9966000000e-03  3.4019000000e-03  5.0034000000e-03  2.0254000000e-03  7.5930000000e-04 -3.2656000000e-03 -1.5921000000e-03 -4.6868000000e-03 -2.4890000000e-03  8.3540000000e-04
-
-JOB 59
-COORDS -7.2209200000e-01  9.4315600000e-01  1.3347830000e+00 -1.3113320000e+00  5.1867200000e-01  7.1121100000e-01 -9.6887300000e-01  5.7840800000e-01  2.1846590000e+00  7.7829800000e-01 -9.3565700000e-01 -1.3029770000e+00  2.5660500000e-01 -1.0524690000e+00 -2.0969690000e+00  1.1650040000e+00 -6.4987000000e-02 -1.3958380000e+00
-ENERGY -1.526551298987e+02
-FORCES -2.6166000000e-03 -5.0876000000e-03  3.7200000000e-04  9.8880000000e-04  3.2281000000e-03  2.8663000000e-03  7.1810000000e-04  1.6727000000e-03 -3.1974000000e-03  1.2176000000e-03  3.7425000000e-03 -3.0121000000e-03  1.3584000000e-03  6.5180000000e-04  3.8728000000e-03 -1.6663000000e-03 -4.2075000000e-03 -9.0150000000e-04
-
-JOB 60
-COORDS  3.6253100000e-01  5.9471200000e-01 -1.6359130000e+00  6.9392000000e-02  7.1259100000e-01 -2.5394640000e+00  6.1975700000e-01  1.4714930000e+00 -1.3507420000e+00 -2.9026300000e-01 -6.5441400000e-01  1.6592980000e+00 -8.7921700000e-01 -2.3775400000e-01  1.0302030000e+00 -8.5933500000e-01 -9.1870600000e-01  2.3821660000e+00
-ENERGY -1.526553643581e+02
-FORCES  1.6277000000e-03  4.1030000000e-03 -3.5107000000e-03  1.1377000000e-03 -4.8630000000e-04  4.0046000000e-03 -1.9692000000e-03 -3.6984000000e-03 -1.3019000000e-03 -4.4170000000e-03  4.1980000000e-04 -1.4205000000e-03  1.3406000000e-03 -1.3956000000e-03  5.2346000000e-03  2.2802000000e-03  1.0575000000e-03 -3.0060000000e-03
-
-JOB 61
-COORDS -8.3102000000e-02 -1.4970070000e+00 -1.0401680000e+00 -8.6518700000e-01 -2.0423230000e+00 -9.5527800000e-01  9.5787000000e-02 -1.4786700000e+00 -1.9803240000e+00  1.3974600000e-01  1.5914520000e+00  1.0719690000e+00  2.8760200000e-01  1.1805070000e+00  1.9237290000e+00 -3.4190100000e-01  9.3471700000e-01  5.6903000000e-01
-ENERGY -1.526570134395e+02
-FORCES -1.2576000000e-03 -3.5099000000e-03 -5.1862000000e-03  3.2354000000e-03  2.9558000000e-03  5.9300000000e-05 -1.1549000000e-03 -4.8570000000e-04  4.0696000000e-03 -6.1280000000e-04 -6.1015000000e-03  2.5500000000e-05 -7.5480000000e-04  1.9552000000e-03 -2.7240000000e-03  5.4470000000e-04  5.1861000000e-03  3.7559000000e-03
-
-JOB 62
-COORDS -1.9004500000e-01 -1.8085950000e+00  5.2458400000e-01  2.3231300000e-01 -1.4705230000e+00 -2.6507000000e-01  3.9176800000e-01 -2.5053190000e+00  8.2839500000e-01  7.6114000000e-02  1.8588600000e+00 -4.8866500000e-01  1.7243200000e-01  9.0651900000e-01 -4.8729400000e-01  9.6619300000e-01  2.1899200000e+00 -6.0862300000e-01
-ENERGY -1.526525886043e+02
-FORCES  4.1168000000e-03 -3.7056000000e-03 -1.3456000000e-03 -1.7987000000e-03  1.8675000000e-03  3.7656000000e-03 -2.7600000000e-03  3.0207000000e-03 -1.4123000000e-03  3.5234000000e-03 -2.4013000000e-03  9.2750000000e-04  6.5990000000e-04  2.8307000000e-03 -2.2752000000e-03 -3.7412000000e-03 -1.6120000000e-03  3.3990000000e-04
-
-JOB 63
-COORDS -4.9294900000e-01 -1.3409420000e+00 -1.1500380000e+00  2.4885400000e-01 -1.9419540000e+00 -1.2189190000e+00 -1.2418400000e+00 -1.8469210000e+00 -1.4652820000e+00  4.8808900000e-01  1.4783070000e+00  1.1985700000e+00 -1.3442000000e-02  7.0388300000e-01  1.4534550000e+00  1.0959320000e+00  1.1614010000e+00  5.3049000000e-01
-ENERGY -1.526559951391e+02
-FORCES -1.1423000000e-03 -5.0488000000e-03 -2.9462000000e-03 -2.8854000000e-03  3.0640000000e-03  8.0340000000e-04  3.3832000000e-03  1.8786000000e-03  1.3976000000e-03 -8.9700000000e-04 -5.5827000000e-03 -3.5416000000e-03  2.3970000000e-03  3.7619000000e-03  9.5310000000e-04 -8.5560000000e-04  1.9270000000e-03  3.3337000000e-03
-
-JOB 64
-COORDS -7.6727800000e-01 -1.7632450000e+00  3.3999800000e-01 -8.3745300000e-01 -2.6789480000e+00  6.0980400000e-01 -1.4781080000e+00 -1.3211320000e+00  8.0420500000e-01  8.0524000000e-01  1.8573740000e+00 -3.6598800000e-01  1.1523970000e+00  1.1320250000e+00  1.5322500000e-01  5.4102700000e-01  1.4552850000e+00 -1.1934830000e+00
-ENERGY -1.526565686559e+02
-FORCES -3.9598000000e-03 -2.5965000000e-03  3.1590000000e-03  1.9150000000e-04  3.8803000000e-03 -1.0298000000e-03  3.1846000000e-03 -2.1790000000e-03 -1.9377000000e-03  2.7920000000e-04 -6.0212000000e-03 -1.3884000000e-03 -7.7370000000e-04  4.2806000000e-03 -1.6494000000e-03  1.0782000000e-03  2.6358000000e-03  2.8463000000e-03
-
-JOB 65
-COORDS -9.6740400000e-01  1.5487730000e+00  7.5115800000e-01 -7.4881800000e-01  2.4556400000e+00  5.3657900000e-01 -1.9194180000e+00  1.5484770000e+00  8.5066000000e-01  9.7286700000e-01 -1.5707110000e+00 -7.9174900000e-01  8.6838700000e-01 -2.4746670000e+00 -4.9480100000e-01  1.6683820000e+00 -1.2152240000e+00 -2.3846900000e-01
-ENERGY -1.526534202555e+02
-FORCES -3.4049000000e-03  3.1885000000e-03 -1.3635000000e-03 -6.4790000000e-04 -3.7035000000e-03  1.0993000000e-03  3.8413000000e-03  2.1130000000e-04 -7.4200000000e-05  1.8187000000e-03 -1.0454000000e-03  4.4265000000e-03  3.3430000000e-04  3.4475000000e-03 -1.3682000000e-03 -1.9414000000e-03 -2.0983000000e-03 -2.7200000000e-03
-
-JOB 66
-COORDS -1.7764740000e+00 -5.7884000000e-02  1.1349070000e+00 -2.3003730000e+00  6.8066800000e-01  1.4452330000e+00 -1.0216170000e+00 -8.0579000000e-02  1.7230460000e+00  1.8229850000e+00  3.3103000000e-02 -1.1704780000e+00  1.4490900000e+00 -8.1563500000e-01 -1.4072870000e+00  1.0865970000e+00  6.4247300000e-01 -1.2217740000e+00
-ENERGY -1.526558949528e+02
-FORCES  5.7450000000e-04  2.6045000000e-03  4.6327000000e-03  2.3087000000e-03 -2.9546000000e-03 -1.4404000000e-03 -3.5057000000e-03  2.3280000000e-04 -2.6937000000e-03 -5.4215000000e-03 -1.1663000000e-03 -1.4975000000e-03  2.1577000000e-03  3.2483000000e-03  8.7770000000e-04  3.8863000000e-03 -1.9647000000e-03  1.2130000000e-04
-
-JOB 67
-COORDS  8.1540500000e-01  2.0383180000e+00 -7.5570300000e-01  5.9801000000e-02  1.6041490000e+00 -3.5973300000e-01  1.2413620000e+00  1.3545800000e+00 -1.2727090000e+00 -7.7810700000e-01 -1.9081070000e+00  7.6655400000e-01 -7.9480900000e-01 -2.4965590000e+00  1.1785000000e-02 -1.0962970000e+00 -2.4422210000e+00  1.4943660000e+00
-ENERGY -1.526555918034e+02
-FORCES -1.5831000000e-03 -5.4135000000e-03  3.7420000000e-04  3.0804000000e-03  2.9209000000e-03 -2.2483000000e-03 -1.4206000000e-03  2.9822000000e-03  1.4514000000e-03 -1.5352000000e-03 -5.2836000000e-03  6.6370000000e-04  1.9520000000e-04  2.7485000000e-03  2.9499000000e-03  1.2633000000e-03  2.0456000000e-03 -3.1910000000e-03
-
-JOB 68
-COORDS -3.7620000000e-01  2.2323040000e+00  6.5668000000e-01 -5.6381800000e-01  3.0866880000e+00  2.6801600000e-01  4.2149700000e-01  1.9384640000e+00  2.1671400000e-01  3.1228500000e-01 -2.3230900000e+00 -5.7997300000e-01  7.8629400000e-01 -2.2949230000e+00 -1.4110890000e+00  3.3678200000e-01 -1.4216220000e+00 -2.5905600000e-01
-ENERGY -1.526537402815e+02
-FORCES  2.1732000000e-03  3.4671000000e-03 -3.1407000000e-03  9.1510000000e-04 -3.6199000000e-03  1.6520000000e-03 -3.4771000000e-03 -1.4000000000e-06  1.6078000000e-03  1.3696000000e-03  3.7383000000e-03 -1.7616000000e-03 -1.8216000000e-03  9.3700000000e-05  3.4394000000e-03  8.4080000000e-04 -3.6777000000e-03 -1.7969000000e-03
-
-JOB 69
-COORDS  1.0303530000e+00  2.2785120000e+00 -4.6676300000e-01  5.0008200000e-01  2.0204710000e+00  2.8719900000e-01  7.3931700000e-01  1.7021390000e+00 -1.1733920000e+00 -9.3759300000e-01 -2.2857660000e+00  4.6264300000e-01 -8.0234400000e-01 -1.3742030000e+00  7.2147100000e-01 -1.8754560000e+00 -2.3471310000e+00  2.8131400000e-01
-ENERGY -1.526533297844e+02
-FORCES -2.8574000000e-03 -3.1320000000e-03 -1.7880000000e-04  1.8474000000e-03  5.1820000000e-04 -3.0710000000e-03  9.0150000000e-04  2.4627000000e-03  3.3461000000e-03 -3.5130000000e-03  2.8072000000e-03  7.1890000000e-04 -4.4810000000e-04 -3.1235000000e-03 -1.4963000000e-03  4.0695000000e-03  4.6730000000e-04  6.8110000000e-04
-
-JOB 70
-COORDS  8.0480000000e-01 -1.7813090000e+00 -1.5362830000e+00  1.0887250000e+00 -2.6915150000e+00 -1.4517620000e+00  1.8027000000e-02 -1.8248170000e+00 -2.0797240000e+00 -7.9402200000e-01  1.8916100000e+00  1.5300120000e+00 -5.4051100000e-01  1.0444370000e+00  1.1635950000e+00 -7.5389800000e-01  1.7647850000e+00  2.4779240000e+00
-ENERGY -1.526550878647e+02
-FORCES -1.6896000000e-03 -4.1718000000e-03 -2.6405000000e-03 -1.2690000000e-03  3.7825000000e-03 -2.5310000000e-04  3.2067000000e-03  1.6520000000e-04  2.5725000000e-03  1.7463000000e-03 -4.2483000000e-03  1.9350000000e-03 -1.7246000000e-03  3.9088000000e-03  2.0596000000e-03 -2.6980000000e-04  5.6350000000e-04 -3.6735000000e-03
-
-JOB 71
-COORDS -4.6272900000e-01 -1.4068690000e+00 -2.1949630000e+00 -1.9899600000e-01 -1.1761440000e+00 -1.3042090000e+00  3.2275000000e-01 -1.2628750000e+00 -2.7227130000e+00  3.5601300000e-01  1.3572970000e+00  2.2102960000e+00  7.5228800000e-01  2.2071060000e+00  2.4027070000e+00  8.4353900000e-01  1.0308860000e+00  1.4539840000e+00
-ENERGY -1.526534222799e+02
-FORCES  3.8693000000e-03  1.2277000000e-03  1.4720000000e-03 -5.1040000000e-04 -6.1540000000e-04 -3.7300000000e-03 -3.1663000000e-03 -4.3100000000e-04  2.3614000000e-03  3.6230000000e-03  2.7419000000e-03 -1.8965000000e-03 -1.6008000000e-03 -3.6266000000e-03 -8.1400000000e-04 -2.2147000000e-03  7.0350000000e-04  2.6070000000e-03
-
-JOB 72
-COORDS  4.6897900000e-01  2.1338870000e+00  1.5518320000e+00  4.7231000000e-02  1.3081670000e+00  1.3140360000e+00  1.9875000000e-02  2.7936550000e+00  1.0233980000e+00 -4.2382900000e-01 -2.0648450000e+00 -1.4728480000e+00 -7.7879600000e-01 -2.9238130000e+00 -1.2439280000e+00  6.4619000000e-02 -2.2149690000e+00 -2.2822380000e+00
-ENERGY -1.526551282438e+02
-FORCES -3.5604000000e-03 -1.2751000000e-03 -3.5500000000e-03  1.6776000000e-03  3.9180000000e-03  1.5937000000e-03  1.8221000000e-03 -2.3574000000e-03  2.2168000000e-03  7.7350000000e-04 -4.4277000000e-03 -2.6257000000e-03  1.4186000000e-03  3.5819000000e-03 -9.2980000000e-04 -2.1315000000e-03  5.6010000000e-04  3.2949000000e-03
-
-JOB 73
-COORDS -9.6880000000e-01 -1.2006890000e+00  2.2216530000e+00 -3.0988000000e-02 -1.3307560000e+00  2.3624480000e+00 -1.1870280000e+00 -1.7897880000e+00  1.4994540000e+00  9.3087600000e-01  1.1755870000e+00 -2.1779870000e+00  1.6490790000e+00  1.8041200000e+00 -2.2512120000e+00  1.4025100000e-01  1.6976330000e+00 -2.3144100000e+00
-ENERGY -1.526545456508e+02
-FORCES  3.2969000000e-03 -2.7104000000e-03 -2.9598000000e-03 -3.8424000000e-03  3.7680000000e-04 -1.4630000000e-04  5.7890000000e-04  2.1793000000e-03  3.1873000000e-03 -4.8410000000e-04  4.9391000000e-03 -6.7590000000e-04 -2.8589000000e-03 -2.6139000000e-03  2.6720000000e-04  3.3096000000e-03 -2.1709000000e-03  3.2750000000e-04
-
-JOB 74
-COORDS -1.2917820000e+00 -2.3312340000e+00  5.4877400000e-01 -1.0728360000e+00 -3.1644990000e+00  9.6586300000e-01 -1.6772950000e+00 -2.5776870000e+00 -2.9198300000e-01  1.2990250000e+00  2.3264950000e+00 -5.6480000000e-01  1.3810670000e+00  3.2259180000e+00 -8.8187600000e-01  1.2363390000e+00  2.4121720000e+00  3.8649500000e-01
-ENERGY -1.526539181539e+02
-FORCES -4.5260000000e-04 -4.2015000000e-03 -2.1688000000e-03 -9.2300000000e-04  3.4056000000e-03 -1.5775000000e-03  1.3767000000e-03  7.7990000000e-04  3.5767000000e-03 -2.0970000000e-04  3.6266000000e-03  2.9324000000e-03 -3.1780000000e-04 -3.6579000000e-03  1.1864000000e-03  5.2630000000e-04  4.7300000000e-05 -3.9491000000e-03
-
-JOB 75
-COORDS  4.6902700000e-01  1.8834610000e+00 -2.0451330000e+00  3.0656100000e-01  2.3380220000e+00 -1.2185670000e+00  2.6042500000e-01  2.5298960000e+00 -2.7195500000e+00 -4.9882900000e-01 -1.9591470000e+00  1.9938820000e+00 -3.8944200000e-01 -2.1662330000e+00  2.9219890000e+00  2.6971000000e-01 -1.4329540000e+00  1.7731990000e+00
-ENERGY -1.526540537667e+02
-FORCES -1.8920000000e-03  4.4773000000e-03  3.9030000000e-04  9.4810000000e-04 -1.9302000000e-03 -3.2238000000e-03  9.2600000000e-04 -2.5829000000e-03  2.7769000000e-03  3.7522000000e-03  1.1560000000e-03  2.5024000000e-03 -4.9670000000e-04  9.0490000000e-04 -3.7542000000e-03 -3.2377000000e-03 -2.0251000000e-03  1.3084000000e-03
-
-JOB 76
-COORDS -1.9127490000e+00 -1.9932740000e+00 -1.0638070000e+00 -1.7731190000e+00 -2.6099650000e+00 -3.4517800000e-01 -1.8781000000e+00 -1.1308050000e+00 -6.5007000000e-01  1.8799360000e+00  1.9272730000e+00  9.9571400000e-01  1.6729380000e+00  2.7046240000e+00  4.7695700000e-01  2.5453440000e+00  2.2234320000e+00  1.6168060000e+00
-ENERGY -1.526545484721e+02
-FORCES  1.2563000000e-03  1.2285000000e-03  4.8056000000e-03 -7.8410000000e-04  2.2867000000e-03 -2.9441000000e-03 -6.2360000000e-04 -3.5641000000e-03 -1.8664000000e-03  2.2332000000e-03  4.4544000000e-03  3.1020000000e-04  6.8960000000e-04 -3.2146000000e-03  2.2098000000e-03 -2.7714000000e-03 -1.1908000000e-03 -2.5151000000e-03
-
-JOB 77
-COORDS -7.2331800000e-01 -1.4308490000e+00  2.4352060000e+00 -5.5576500000e-01 -7.4855800000e-01  3.0853110000e+00 -1.6651240000e+00 -1.5916400000e+00  2.4933390000e+00  7.1052900000e-01  1.3777610000e+00 -2.4587250000e+00  1.4529470000e+00  9.2782500000e-01 -2.8619680000e+00  1.0052770000e+00  2.2826450000e+00 -2.3560540000e+00
-ENERGY -1.526537366177e+02
-FORCES -3.2527000000e-03  2.4130000000e-03  2.4334000000e-03 -6.2200000000e-04 -2.8490000000e-03 -2.4571000000e-03  3.8287000000e-03  5.2970000000e-04 -4.0800000000e-05  4.3261000000e-03  1.5115000000e-03 -9.7340000000e-04 -3.0187000000e-03  1.9872000000e-03  1.4641000000e-03 -1.2615000000e-03 -3.5923000000e-03 -4.2620000000e-04
-
-JOB 78
-COORDS -1.8476980000e+00 -2.3236130000e+00  4.3655700000e-01 -2.4296070000e+00 -2.5482150000e+00 -2.8950600000e-01 -1.2493340000e+00 -3.0677250000e+00  5.0356300000e-01  1.8334180000e+00  2.3175280000e+00 -3.7010900000e-01  1.5239000000e+00  3.1518280000e+00 -1.7442000000e-02  2.3660990000e+00  2.5599820000e+00 -1.1275390000e+00
-ENERGY -1.526536457556e+02
-FORCES  4.7360000000e-04 -3.6831000000e-03 -2.8005000000e-03  2.2433000000e-03  8.6120000000e-04  2.9814000000e-03 -2.6036000000e-03  2.8536000000e-03 -2.2740000000e-04  6.0910000000e-04  4.3287000000e-03 -1.5149000000e-03  1.3994000000e-03 -3.3177000000e-03 -1.4920000000e-03 -2.1218000000e-03 -1.0428000000e-03  3.0535000000e-03
-
-JOB 79
-COORDS -2.7933000000e-02  2.0080900000e+00 -2.3591700000e+00  4.3398600000e-01  2.5948700000e+00 -1.7603780000e+00  2.2587000000e-01  1.1292280000e+00 -2.0773590000e+00 -3.3860000000e-03 -1.9428060000e+00  2.3520140000e+00  3.5725600000e-01 -2.8244700000e+00  2.4460240000e+00 -4.9462900000e-01 -1.9707460000e+00  1.5309590000e+00
-ENERGY -1.526541924705e+02
-FORCES  3.0743000000e-03 -9.7110000000e-04  3.7562000000e-03 -1.9100000000e-03 -2.3874000000e-03 -2.5827000000e-03 -1.2280000000e-03  3.3417000000e-03 -1.2335000000e-03 -8.0640000000e-04 -4.0105000000e-03 -2.6111000000e-03 -1.4386000000e-03  3.6900000000e-03 -4.7370000000e-04  2.3087000000e-03  3.3740000000e-04  3.1448000000e-03
-
-JOB 80
-COORDS -4.2950000000e-01  1.8307300000e+00  2.4355420000e+00  9.0335000000e-02  2.3003450000e+00  3.0878200000e+00  1.7939900000e-01  1.1990080000e+00  2.0529190000e+00  3.2979800000e-01 -1.8440910000e+00 -2.4059350000e+00  3.4747500000e-01 -2.0255620000e+00 -3.3456090000e+00  1.1035900000e+00 -1.3021970000e+00 -2.2515670000e+00
-ENERGY -1.526539107006e+02
-FORCES  4.4137000000e-03 -9.3100000000e-04  1.0729000000e-03 -2.0911000000e-03 -1.8770000000e-03 -2.7010000000e-03 -2.2445000000e-03  2.8091000000e-03  1.5891000000e-03  3.0111000000e-03  1.4787000000e-03 -3.4854000000e-03  2.0000000000e-07  7.1400000000e-04  3.8675000000e-03 -3.0895000000e-03 -2.1939000000e-03 -3.4310000000e-04
-
-JOB 81
-COORDS  1.9440110000e+00  2.4689170000e+00  6.6380200000e-01  2.8969560000e+00  2.5461630000e+00  6.1731300000e-01  1.6792510000e+00  2.2271730000e+00 -2.2371900000e-01 -1.9902050000e+00 -2.5168560000e+00 -5.9509000000e-01 -1.4068500000e+00 -2.1798790000e+00 -1.2750720000e+00 -2.4034540000e+00 -1.7367140000e+00 -2.2517700000e-01
-ENERGY -1.526539559921e+02
-FORCES  3.0998000000e-03 -5.6180000000e-04 -3.6642000000e-03 -3.9583000000e-03 -3.0870000000e-04  1.2930000000e-04  8.3470000000e-04  8.3010000000e-04  3.5790000000e-03  6.7520000000e-04  4.5860000000e-03 -9.9530000000e-04 -2.3095000000e-03 -1.3211000000e-03  2.6500000000e-03  1.6581000000e-03 -3.2245000000e-03 -1.6989000000e-03
-
-JOB 82
-COORDS -4.1834000000e-02 -3.8629000000e+00  6.5279500000e-01  7.9194300000e-01 -3.6366670000e+00  2.4064800000e-01 -5.8379200000e-01 -3.0816350000e+00  5.4261900000e-01  3.6313000000e-02  3.8554930000e+00 -6.5955700000e-01 -8.0447300000e-01  3.4462830000e+00 -4.5496600000e-01  6.8280400000e-01  3.3163360000e+00 -2.0393500000e-01
-ENERGY -1.526538334164e+02
-FORCES  1.1948000000e-03  3.9055000000e-03 -2.2287000000e-03 -3.4487000000e-03 -8.1070000000e-04  1.7476000000e-03  2.2515000000e-03 -3.0441000000e-03  5.0840000000e-04 -8.1170000000e-04 -3.6120000000e-03  2.7703000000e-03  3.5024000000e-03  1.5187000000e-03 -8.6810000000e-04 -2.6884000000e-03  2.0426000000e-03 -1.9295000000e-03
-
-JOB 83
-COORDS  5.6492900000e-01  3.2585480000e+00  2.2456620000e+00  8.7255600000e-01  2.5930030000e+00  1.6303190000e+00  4.3871000000e-02  3.8574010000e+00  1.7107740000e+00 -5.8444400000e-01 -3.2469880000e+00 -2.2456780000e+00 -3.0990900000e-01 -2.5549100000e+00 -1.6441050000e+00 -3.4011900000e-01 -4.0600800000e+00 -1.8036170000e+00
-ENERGY -1.526539795793e+02
-FORCES -8.7500000000e-04 -6.9900000000e-05 -4.6934000000e-03 -1.2794000000e-03  2.5429000000e-03  2.5141000000e-03  2.1473000000e-03 -2.5137000000e-03  2.1923000000e-03  2.0692000000e-03 -6.7850000000e-04  4.2800000000e-03 -1.0805000000e-03 -2.6542000000e-03 -2.4741000000e-03 -9.8140000000e-04  3.3735000000e-03 -1.8190000000e-03
-
-JOB 84
-COORDS -4.6909200000e-01 -2.2013130000e+00  5.6056270000e+00 -1.2236200000e+00 -1.6134520000e+00  5.5690460000e+00  2.8780800000e-01 -1.6174870000e+00  5.6554480000e+00  4.6411100000e-01  2.2004780000e+00 -5.5926290000e+00  7.7161000000e-02  1.7426220000e+00 -6.3388660000e+00  9.3804500000e-01  1.5207380000e+00 -5.1134920000e+00
-ENERGY -1.526541198066e+02
-FORCES -2.2000000000e-06  4.8001000000e-03  8.0200000000e-05  3.0806000000e-03 -2.4099000000e-03  1.4130000000e-04 -3.0787000000e-03 -2.3945000000e-03 -2.1650000000e-04  3.5550000000e-04 -4.6597000000e-03 -1.1138000000e-03  1.5770000000e-03  1.8749000000e-03  3.0468000000e-03 -1.9321000000e-03  2.7891000000e-03 -1.9379000000e-03
-
-JOB 85
-COORDS  3.8558440000e+00  6.9839630000e+00  1.5128950000e+00  3.2856140000e+00  7.5122690000e+00  9.5435900000e-01  4.7401230000e+00  7.2891390000e+00  1.3100410000e+00 -3.8519960000e+00 -7.0102940000e+00 -1.5327930000e+00 -3.5229590000e+00 -7.6917880000e+00 -9.4667600000e-01 -4.5700810000e+00 -6.6031540000e+00 -1.0482090000e+00
-ENERGY -1.526540787905e+02
-FORCES  1.2812000000e-03  3.3892000000e-03 -3.1215000000e-03  2.3254000000e-03 -2.1487000000e-03  2.2859000000e-03 -3.6061000000e-03 -1.2402000000e-03  8.3410000000e-04 -1.5721000000e-03 -1.1017000000e-03  4.3814000000e-03 -1.3482000000e-03  2.7702000000e-03 -2.3966000000e-03  2.9199000000e-03 -1.6689000000e-03 -1.9834000000e-03
-
-JOB 86
-COORDS -5.9124480000e+00  3.9891440000e+00 -5.0342580000e+00 -5.8837050000e+00  4.9458980000e+00 -5.0395200000e+00 -6.2017900000e+00  3.7528910000e+00 -5.9155620000e+00  5.9106050000e+00 -3.9674450000e+00  5.0978250000e+00  6.7641660000e+00 -4.2882660000e+00  4.8067240000e+00  5.3695360000e+00 -4.7539890000e+00  5.1672870000e+00
-ENERGY -1.526540603549e+02
-FORCES -1.0526000000e-03  2.9434000000e-03 -3.6070000000e-03 -1.2310000000e-04 -3.9040000000e-03  1.5500000000e-05  1.1770000000e-03  9.6110000000e-04  3.5926000000e-03  1.2569000000e-03 -4.5125000000e-03 -9.1680000000e-04 -3.4753000000e-03  1.3079000000e-03  1.1923000000e-03  2.2171000000e-03  3.2041000000e-03 -2.7660000000e-04
-
-JOB 87
-COORDS -8.4332510000e+00  2.0356950000e+00 -1.7491080000e+00 -7.6093730000e+00  2.4925900000e+00 -1.5796820000e+00 -8.8983430000e+00  2.0614930000e+00 -9.1289300000e-01  8.4208590000e+00 -2.0504900000e+00  1.7610750000e+00  7.6303470000e+00 -2.2296070000e+00  1.2519200000e+00  9.1287660000e+00 -2.0610850000e+00  1.1168790000e+00
-ENERGY -1.526540841295e+02
-FORCES  1.4548000000e-03  1.9742000000e-03  4.1091000000e-03 -3.3552000000e-03 -1.8676000000e-03 -6.9650000000e-04  1.8996000000e-03 -1.0690000000e-04 -3.4135000000e-03 -3.2870000000e-04 -7.8440000000e-04 -4.7088000000e-03  3.2194000000e-03  7.3750000000e-04  2.0808000000e-03 -2.8900000000e-03  4.7200000000e-05  2.6290000000e-03
-
-JOB 88
-COORDS  6.9673470000e+00 -4.0662280000e+00  5.7417880000e+00  7.6380960000e+00 -4.1594420000e+00  6.4182770000e+00  6.6660300000e+00 -4.9598510000e+00  5.5778450000e+00 -6.9829840000e+00  4.1391730000e+00 -5.7006850000e+00 -6.8330730000e+00  3.2604310000e+00 -6.0493550000e+00 -7.1874520000e+00  4.6709140000e+00 -6.4698900000e+00
-ENERGY -1.526540632552e+02
-FORCES  1.5003000000e-03 -4.0201000000e-03  2.0940000000e-03 -2.7338000000e-03  3.7780000000e-04 -2.7612000000e-03  1.2326000000e-03  3.6429000000e-03  6.6710000000e-04 -2.0970000000e-04 -1.4167000000e-03 -4.5545000000e-03 -6.1860000000e-04  3.5850000000e-03  1.4184000000e-03  8.2920000000e-04 -2.1689000000e-03  3.1362000000e-03
-
-JOB 89
-COORDS -1.2178765000e+01 -1.9926320000e+00 -5.4365160000e+00 -1.2633656000e+01 -2.0726420000e+00 -4.5981220000e+00 -1.1403228000e+01 -2.5457470000e+00 -5.3425090000e+00  1.2139325000e+01  2.0330320000e+00  5.4460410000e+00  1.1816655000e+01  2.5134090000e+00  4.6835750000e+00  1.2832035000e+01  1.4704800000e+00  5.0997460000e+00
-ENERGY -1.526540766313e+02
-FORCES  1.3060000000e-03 -2.5824000000e-03  3.8056000000e-03  1.8562000000e-03  3.2610000000e-04 -3.4208000000e-03 -3.1623000000e-03  2.2563000000e-03 -3.8490000000e-04  1.5130000000e-03 -3.3190000000e-04 -4.5226000000e-03  1.3144000000e-03 -1.9614000000e-03  3.1103000000e-03 -2.8273000000e-03  2.2932000000e-03  1.4125000000e-03
-
-JOB 0
-COORDS -8.7864300000e-01 -7.8408700000e-01 -5.0366300000e-01 -5.3942000000e-02 -3.3318300000e-01 -3.2259500000e-01 -7.3483000000e-01 -1.6795250000e+00 -1.9749400000e-01  8.4541000000e-01  7.5315600000e-01  4.8146900000e-01  9.1239900000e-01  1.3385700000e+00 -2.7287400000e-01  3.3117300000e-01  1.2447810000e+00  1.1218570000e+00
-ENERGY -1.526538578125e+02
-FORCES  1.8892900000e-02  1.3508100000e-02  1.1623800000e-02 -3.4872000000e-03 -1.1241000000e-03 -8.3280000000e-03  1.0780000000e-03  3.4836000000e-03  5.0720000000e-04 -1.7293400000e-02 -8.0096000000e-03 -3.2197000000e-03 -3.3504000000e-03 -6.9786000000e-03  2.9193000000e-03  4.1602000000e-03 -8.7940000000e-04 -3.5026000000e-03
-
-JOB 1
-COORDS -1.1146080000e+00  6.7256400000e-01 -1.6554000000e-02 -1.8766570000e+00  1.9844400000e-01  3.1619700000e-01 -3.7071400000e-01  1.0706600000e-01  1.9096800000e-01  1.0704200000e+00 -5.7999200000e-01  2.3216000000e-02  2.0128250000e+00 -4.3239000000e-01 -5.6278000000e-02  9.2307500000e-01 -1.4246850000e+00 -4.0224200000e-01
-ENERGY -1.526544876044e+02
-FORCES  1.8723200000e-02 -7.9382000000e-03  1.4714000000e-03  4.8414000000e-03 -1.4127000000e-03 -1.2141000000e-03 -7.1263000000e-03 -2.6493000000e-03 -5.5970000000e-04 -1.2571900000e-02  1.0672000000e-02 -1.7272000000e-03 -4.1671000000e-03 -3.3747000000e-03 -1.0862000000e-03  3.0070000000e-04  4.7028000000e-03  3.1158000000e-03
-
-JOB 2
-COORDS -4.1328600000e-01  9.7889400000e-01  8.4040300000e-01 -7.7960000000e-02  5.8026800000e-01  1.6434510000e+00 -1.2907500000e-01  3.8851700000e-01  1.4261300000e-01  3.5113000000e-01 -8.8567500000e-01 -8.0474800000e-01  6.5627100000e-01 -6.5901900000e-01 -1.6832400000e+00  5.3156900000e-01 -1.8220810000e+00 -7.2218200000e-01
-ENERGY -1.526569231319e+02
-FORCES  6.8907000000e-03 -1.6033400000e-02 -9.7846000000e-03 -1.0355000000e-03  5.0240000000e-04 -1.6021000000e-03 -1.0821000000e-03  6.3472000000e-03 -1.5700000000e-05 -3.4006000000e-03  6.4284000000e-03  8.7304000000e-03 -1.6892000000e-03 -1.7420000000e-03  5.0580000000e-03  3.1670000000e-04  4.4974000000e-03 -2.3860000000e-03
-
-JOB 3
-COORDS  1.1723040000e+00 -4.1311800000e-01 -5.4303200000e-01  1.8675590000e+00 -3.8676100000e-01  1.1435600000e-01  3.6660400000e-01 -2.7142200000e-01 -4.6040000000e-02 -1.1508560000e+00  3.5283800000e-01  4.4657600000e-01 -7.2931900000e-01  1.2121420000e+00  4.3496600000e-01 -1.8868040000e+00  4.5468900000e-01  1.0500980000e+00
-ENERGY -1.526572771338e+02
-FORCES -1.1626300000e-02 -3.3500000000e-04  7.0196000000e-03 -3.4716000000e-03  1.1116000000e-03 -1.1314000000e-03  6.8768000000e-03  6.3629000000e-03 -2.8390000000e-03  4.4134000000e-03 -1.4461000000e-03 -1.1837000000e-03  8.0000000000e-06 -7.6446000000e-03  1.3878000000e-03  3.7998000000e-03  1.9512000000e-03 -3.2531000000e-03
-
-JOB 4
-COORDS -1.0010830000e+00  3.2624300000e-01  8.8633300000e-01 -1.9154700000e-01  7.9430000000e-03  4.8687300000e-01 -1.6971810000e+00 -1.3394400000e-01  4.1739200000e-01  1.0020280000e+00 -3.4247100000e-01 -8.0915900000e-01  8.1564700000e-01 -1.2159000000e-01 -1.7216860000e+00  1.1525700000e+00  5.0172300000e-01 -3.8382900000e-01
-ENERGY -1.526534315656e+02
-FORCES  7.0681000000e-03 -9.5200000000e-03 -1.1998600000e-02  5.5467000000e-03  1.0388100000e-02  3.5607000000e-03  9.2320000000e-04  2.0465000000e-03  1.5070000000e-03 -6.6698000000e-03  6.4495000000e-03 -1.0126000000e-03  1.4738000000e-03 -1.2112000000e-03  4.4519000000e-03 -8.3421000000e-03 -8.1529000000e-03  3.4916000000e-03
-
-JOB 5
-COORDS  4.7623500000e-01  1.5511100000e-01 -1.2765490000e+00 -2.5637500000e-01  3.5250600000e-01 -1.8601150000e+00  6.4655000000e-02 -1.7477600000e-01 -4.7779500000e-01 -4.3875700000e-01 -1.9326900000e-01  1.2236550000e+00 -6.0394900000e-01  7.4530700000e-01  1.3132020000e+00  2.3548900000e-01 -3.8163000000e-01  1.8764510000e+00
-ENERGY -1.526599376050e+02
-FORCES -6.5243000000e-03 -4.4442000000e-03  1.3207500000e-02  1.2320000000e-03 -5.0700000000e-05  3.6925000000e-03  2.4752000000e-03  3.6318000000e-03 -9.6648000000e-03  5.5611000000e-03  4.3659000000e-03 -2.9278000000e-03  8.4810000000e-04 -5.3952000000e-03 -1.2462000000e-03 -3.5921000000e-03  1.8924000000e-03 -3.0612000000e-03
-
-JOB 6
-COORDS -8.3689700000e-01  2.5997400000e-01  1.0637090000e+00 -2.3956800000e-01  2.3751200000e-01  3.1609600000e-01 -1.2178150000e+00  1.1378030000e+00  1.0402540000e+00  8.4759800000e-01 -2.5155500000e-01 -9.9417600000e-01  2.3761200000e-01 -3.8422800000e-01 -1.7198120000e+00  1.0866730000e+00 -1.1359640000e+00 -7.1687300000e-01
-ENERGY -1.526604971393e+02
-FORCES  1.0334200000e-02  4.1300000000e-05 -1.1361800000e-02 -8.6552000000e-03  4.7880000000e-04  7.5808000000e-03  1.8002000000e-03 -2.6257000000e-03 -1.9108000000e-03 -3.4365000000e-03 -4.3874000000e-03  1.9927000000e-03  2.3381000000e-03  1.2187000000e-03  5.2948000000e-03 -2.3807000000e-03  5.2744000000e-03 -1.5958000000e-03
-
-JOB 7
-COORDS -9.3575300000e-01 -6.3712600000e-01  6.2833200000e-01 -1.2314420000e+00 -2.9624800000e-01  1.4724900000e+00 -1.7187290000e+00 -1.0267780000e+00  2.3929500000e-01  1.0658900000e+00  6.2169000000e-01 -6.5776800000e-01  2.9825200000e-01  1.1550300000e-01 -3.9179900000e-01  7.1450700000e-01  1.4752460000e+00 -9.1115200000e-01
-ENERGY -1.526595060937e+02
-FORCES  3.0266000000e-03  4.1136000000e-03  5.8300000000e-04 -6.2890000000e-04 -2.5496000000e-03 -4.5060000000e-03  3.9098000000e-03  3.0503000000e-03  2.1133000000e-03 -1.2346200000e-02 -5.3153000000e-03  6.6829000000e-03  5.8416000000e-03  3.2426000000e-03 -6.1362000000e-03  1.9700000000e-04 -2.5415000000e-03  1.2630000000e-03
-
-JOB 8
-COORDS  3.1334000000e-01  1.2467810000e+00  2.2125400000e-01 -3.4225000000e-02  2.0377670000e+00  6.3328600000e-01  4.4302200000e-01  1.4907390000e+00 -6.9520600000e-01 -3.3999200000e-01 -1.3210900000e+00 -2.4125100000e-01  1.5801300000e-01 -1.9582770000e+00  2.7081800000e-01 -1.1757600000e-01 -4.7484200000e-01  1.4685600000e-01
-ENERGY -1.526610344687e+02
-FORCES -3.0041000000e-03 -2.7294000000e-03 -3.0375000000e-03  2.2092000000e-03 -2.8352000000e-03 -3.2486000000e-03 -1.0544000000e-03 -1.7400000000e-04  5.5318000000e-03  3.6161000000e-03  1.1695400000e-02  4.9541000000e-03 -1.0207000000e-03  3.1588000000e-03 -7.6140000000e-04 -7.4610000000e-04 -9.1156000000e-03 -3.4385000000e-03
-
-JOB 9
-COORDS -6.1386100000e-01 -1.1074290000e+00 -5.2185100000e-01  3.0891300000e-01 -1.3617820000e+00 -5.2684000000e-01 -9.0952900000e-01 -1.2944280000e+00  3.6912800000e-01  5.3709800000e-01  1.1753370000e+00  4.9541500000e-01  1.4841550000e+00  1.2747940000e+00  3.9833700000e-01  3.5137600000e-01  3.0067800000e-01  1.5378600000e-01
-ENERGY -1.526527327308e+02
-FORCES  4.9840000000e-04 -9.1280000000e-04  4.1981000000e-03 -3.6280000000e-03  9.9033000000e-03  2.8983000000e-03  3.7305000000e-03  3.3057000000e-03 -5.2345000000e-03 -5.0893000000e-03 -8.4120000000e-03 -6.7272000000e-03 -3.9079000000e-03 -3.1841000000e-03 -8.2340000000e-04  8.3963000000e-03 -7.0010000000e-04  5.6887000000e-03
-
-JOB 10
-COORDS  4.2814700000e-01 -1.0751010000e+00 -7.7420300000e-01  8.5335200000e-01 -1.7441350000e+00 -2.3770900000e-01  3.3827400000e-01 -3.2131300000e-01 -1.9114200000e-01 -4.0976100000e-01  1.0229890000e+00  7.3370700000e-01 -1.1475400000e-01  1.7347410000e+00  1.6571700000e-01 -1.3554280000e+00  1.1512920000e+00  8.0775400000e-01
-ENERGY -1.526597833622e+02
-FORCES -4.1426000000e-03  9.0929000000e-03  1.0402200000e-02 -1.6825000000e-03  2.6931000000e-03 -6.4700000000e-04  6.2533000000e-03 -4.2358000000e-03 -7.2498000000e-03 -4.1295000000e-03 -2.9197000000e-03 -4.4496000000e-03 -1.1210000000e-03 -6.0228000000e-03  1.9753000000e-03  4.8224000000e-03  1.3922000000e-03 -3.1200000000e-05
-
-JOB 11
-COORDS -4.7346500000e-01 -8.6868200000e-01 -9.8872900000e-01 -7.8041500000e-01 -4.6865200000e-01 -1.8023560000e+00 -4.4957000000e-01 -1.4686900000e-01 -3.6052000000e-01  4.2224100000e-01  8.0413900000e-01  9.8476100000e-01  8.6248600000e-01  8.6812300000e-01  1.8323000000e+00  1.1253590000e+00  8.9496500000e-01  3.4163800000e-01
-ENERGY -1.526584820030e+02
-FORCES -8.1890000000e-04  5.5110000000e-03  7.5472000000e-03  2.2465000000e-03  2.1800000000e-04  3.7737000000e-03  2.0505000000e-03 -1.4576000000e-03 -9.1763000000e-03  2.5749000000e-03 -4.3968000000e-03  4.1500000000e-05 -9.9300000000e-05  5.5290000000e-04 -4.4787000000e-03 -5.9538000000e-03 -4.2750000000e-04  2.2927000000e-03
-
-JOB 12
-COORDS  7.7965000000e-02 -4.2973500000e-01 -1.2797910000e+00  3.1746600000e-01  4.5186700000e-01 -9.9404800000e-01  3.1911500000e-01 -4.5569300000e-01 -2.2057520000e+00 -5.2512000000e-02  4.2429800000e-01  1.3304880000e+00 -9.0366600000e-01  4.2886600000e-01  1.7683780000e+00 -1.1319700000e-01 -2.8927200000e-01  6.9537700000e-01
-ENERGY -1.526600118008e+02
-FORCES  1.4878000000e-03  3.4770000000e-03  3.9060000000e-04 -1.3370000000e-03 -7.6126000000e-03 -9.9860000000e-04 -8.1510000000e-04  2.3917000000e-03  3.7637000000e-03 -3.5982000000e-03 -5.8175000000e-03 -3.3995000000e-03  2.9210000000e-03 -5.0370000000e-04 -1.8573000000e-03  1.3415000000e-03  8.0650000000e-03  2.1012000000e-03
-
-JOB 13
-COORDS -4.9871000000e-01 -9.8714600000e-01 -7.2763400000e-01  3.6623200000e-01 -1.1883100000e+00 -1.0849030000e+00 -1.0396110000e+00 -1.7383710000e+00 -9.7118500000e-01  5.2408300000e-01  1.0325500000e+00  8.1645900000e-01  6.4735000000e-02  3.7822300000e-01  2.9006700000e-01  2.0642800000e-01  1.8727320000e+00  4.8567000000e-01
-ENERGY -1.526601651191e+02
-FORCES  6.5040000000e-04 -3.0040000000e-04  2.2269000000e-03 -5.2395000000e-03  1.7620000000e-03  2.6280000000e-03  4.0804000000e-03  2.5664000000e-03 -5.7080000000e-04 -7.6614000000e-03 -6.1379000000e-03 -5.9764000000e-03  7.5228000000e-03  5.0019000000e-03  1.2171000000e-03  6.4720000000e-04 -2.8920000000e-03  4.7530000000e-04
-
-JOB 14
-COORDS -6.6015700000e-01  1.1748230000e+00 -3.9323900000e-01 -1.3545570000e+00  1.1392710000e+00 -1.0510950000e+00 -6.1577300000e-01  2.8517700000e-01 -4.2821000000e-02  6.8197900000e-01 -1.0775880000e+00  4.5390400000e-01  2.0715400000e-01 -1.7067060000e+00 -8.9220000000e-02  1.6028890000e+00 -1.2168800000e+00  2.3310100000e-01
-ENERGY -1.526554649562e+02
-FORCES  4.4194000000e-03 -8.1294000000e-03  3.4755000000e-03  3.3466000000e-03 -2.2806000000e-03  2.4053000000e-03 -7.5928000000e-03  2.5178000000e-03 -4.2090000000e-03  4.3007000000e-03  3.0571000000e-03 -5.0337000000e-03 -2.6650000000e-04  6.4224000000e-03  2.0994000000e-03 -4.2074000000e-03 -1.5874000000e-03  1.2624000000e-03
-
-JOB 15
-COORDS  8.0672300000e-01  1.7246300000e-01  1.0513210000e+00  3.8868700000e-01  7.1470900000e-01  1.7202350000e+00  1.6850840000e+00  5.4122800000e-01  9.5790100000e-01 -9.0820300000e-01 -2.4514200000e-01 -1.1008750000e+00 -4.6916400000e-01 -1.8296600000e-01 -2.5257600000e-01 -2.2552400000e-01 -4.0835000000e-02 -1.7399680000e+00
-ENERGY -1.526595402182e+02
-FORCES  5.7200000000e-04  2.9278000000e-03 -2.5605000000e-03  1.9441000000e-03 -2.7816000000e-03 -4.3386000000e-03 -4.2904000000e-03 -1.1212000000e-03  1.3336000000e-03  1.1668200000e-02  2.2351000000e-03  8.5280000000e-03 -7.9789000000e-03 -8.1030000000e-04 -3.7742000000e-03 -1.9150000000e-03 -4.4980000000e-04  8.1160000000e-04
-
-JOB 16
-COORDS  4.1979500000e-01  4.9501000000e-02  1.3512200000e+00  7.5460500000e-01  8.8944800000e-01  1.6652630000e+00  3.2214000000e-02  2.4911200000e-01  4.9906500000e-01 -4.5770100000e-01 -7.6274000000e-02 -1.2812970000e+00  2.5035400000e-01  2.8397900000e-01 -1.8152520000e+00 -4.4240700000e-01 -1.0156380000e+00 -1.4645790000e+00
-ENERGY -1.526607859387e+02
-FORCES -4.7242000000e-03  1.5043000000e-03 -1.0687100000e-02 -1.1222000000e-03 -2.1827000000e-03 -3.0608000000e-03  4.8001000000e-03  1.7563000000e-03  1.0105600000e-02  4.0903000000e-03 -4.7258000000e-03  1.2760000000e-04 -3.2395000000e-03 -1.5253000000e-03  3.7214000000e-03  1.9550000000e-04  5.1732000000e-03 -2.0680000000e-04
-
-JOB 17
-COORDS -3.6654100000e-01 -7.5210800000e-01 -1.1778690000e+00  1.4821200000e-01 -3.6496200000e-01 -4.6978800000e-01 -8.3924700000e-01 -1.3863000000e-02 -1.5622850000e+00  3.0569600000e-01  6.5615000000e-01  1.1526430000e+00  5.4042500000e-01  1.5639720000e+00  9.6030800000e-01  1.1225350000e+00  2.5469900000e-01  1.4490280000e+00
-ENERGY -1.526576870686e+02
-FORCES  3.1930000000e-04  9.6677000000e-03  1.0988100000e-02  2.8117000000e-03 -5.6034000000e-03 -7.0144000000e-03  1.4673000000e-03 -1.9450000000e-03  2.2120000000e-04  1.5722000000e-03  1.9823000000e-03  7.5060000000e-04 -1.3351000000e-03 -5.4369000000e-03 -1.8620000000e-04 -4.8355000000e-03  1.3353000000e-03 -4.7593000000e-03
-
-JOB 18
-COORDS -8.8953400000e-01  1.0042670000e+00  7.0695000000e-02 -9.5117200000e-01  1.9582090000e+00  2.1417000000e-02 -1.3768420000e+00  7.7281800000e-01  8.6138700000e-01  9.1885300000e-01 -1.1045450000e+00 -7.7018000000e-02  3.9423000000e-01 -3.1317400000e-01  4.4367000000e-02  1.4922370000e+00 -9.0135000000e-01 -8.1605400000e-01
-ENERGY -1.526604045614e+02
-FORCES  4.4390000000e-04  6.7320000000e-04  1.5125000000e-03 -9.8090000000e-04 -4.6061000000e-03  7.4500000000e-04  3.9729000000e-03  1.4210000000e-03 -4.1659000000e-03 -6.0136000000e-03  1.0886200000e-02 -2.8121000000e-03  3.9714000000e-03 -8.1216000000e-03  2.6709000000e-03 -1.3936000000e-03 -2.5260000000e-04  2.0495000000e-03
-
-JOB 19
-COORDS -4.8773200000e-01  1.1709510000e+00 -7.1083500000e-01 -6.8513000000e-02  1.7024830000e+00 -3.4108000000e-02 -3.2978600000e-01  2.6709500000e-01 -4.3820100000e-01  4.3556300000e-01 -1.1479190000e+00  5.9420200000e-01  1.1711100000e+00 -6.9936500000e-01  1.0113360000e+00  5.1784000000e-02 -1.6793630000e+00  1.2917070000e+00
-ENERGY -1.526593254265e+02
-FORCES  3.6350000000e-03 -9.5447000000e-03  7.5550000000e-03 -3.1280000000e-04 -1.4312000000e-03 -1.7067000000e-03 -1.4996000000e-03  7.7635000000e-03 -4.4679000000e-03  1.4780000000e-04  1.3143000000e-03  3.2250000000e-03 -4.8773000000e-03 -1.0543000000e-03 -1.8576000000e-03  2.9067000000e-03  2.9524000000e-03 -2.7478000000e-03
-
-JOB 20
-COORDS -3.7090000000e-03 -1.4229670000e+00 -2.5139700000e-01  2.1611700000e-01 -5.0136100000e-01 -1.1520000000e-01  6.9538100000e-01 -1.9043600000e+00  1.9105600000e-01 -9.2849000000e-02  1.3486870000e+00  2.2433100000e-01  5.2142800000e-01  1.6377540000e+00  8.9911800000e-01  8.8228000000e-02  1.9169330000e+00 -5.2436100000e-01
-ENERGY -1.526597926556e+02
-FORCES  6.3970000000e-04  1.0482700000e-02  2.8166000000e-03  3.1058000000e-03 -1.0704800000e-02 -1.7721000000e-03 -1.8593000000e-03  3.1863000000e-03 -7.2850000000e-04  6.2430000000e-04  3.2704000000e-03 -3.7230000000e-04 -2.3228000000e-03 -2.9047000000e-03 -4.3023000000e-03 -1.8770000000e-04 -3.3301000000e-03  4.3585000000e-03
-
-JOB 21
-COORDS  1.4054180000e+00 -2.1712400000e-01 -1.3345700000e-01  2.0536110000e+00  1.1584400000e-01  4.8719500000e-01  7.8217800000e-01  5.0176500000e-01 -2.3835100000e-01 -1.3462350000e+00  1.3859400000e-01  1.1073800000e-01 -2.1310630000e+00 -4.0906600000e-01  1.2929500000e-01 -1.6746790000e+00  1.0232950000e+00 -4.9454000000e-02
-ENERGY -1.526535083738e+02
-FORCES -7.5877000000e-03  2.9512000000e-03  2.6580000000e-03 -3.2907000000e-03 -1.0226000000e-03 -1.9540000000e-03  5.8843000000e-03  1.9680000000e-03 -1.1690000000e-03 -2.6610000000e-03 -3.2184000000e-03 -2.0080000000e-04  2.8527000000e-03  3.1999000000e-03  2.6370000000e-04  4.8024000000e-03 -3.8780000000e-03  4.0210000000e-04
-
-JOB 22
-COORDS -1.1074900000e-01  1.3422500000e+00 -5.9796300000e-01 -3.9340600000e-01  4.5417500000e-01 -3.7965400000e-01  8.3159500000e-01  1.3422820000e+00 -4.2997900000e-01  3.8836000000e-02 -1.2505240000e+00  5.6401000000e-01 -1.5121500000e-01 -2.0161680000e+00  1.1061380000e+00  9.4086200000e-01 -1.3813880000e+00  2.7168200000e-01
-ENERGY -1.526583085321e+02
-FORCES  1.3627000000e-03 -8.9594000000e-03  6.0588000000e-03  1.3129000000e-03  6.0749000000e-03 -4.6362000000e-03 -1.9457000000e-03 -3.8400000000e-04 -1.2886000000e-03  1.3915000000e-03 -1.7412000000e-03  1.0908000000e-03  2.3638000000e-03  3.1359000000e-03 -2.5013000000e-03 -4.4852000000e-03  1.8738000000e-03  1.2764000000e-03
-
-JOB 23
-COORDS -2.3880000000e-03 -1.2024730000e+00 -6.8900200000e-01 -5.0757500000e-01 -1.2730480000e+00 -1.4989630000e+00 -4.1243300000e-01 -1.8310400000e+00 -9.4866000000e-02 -1.8290000000e-03  1.2564990000e+00  7.3847400000e-01  2.4782700000e-01  4.5437600000e-01  2.7967000000e-01  7.2104900000e-01  1.8619820000e+00  5.7394900000e-01
-ENERGY -1.526615637945e+02
-FORCES -5.1926000000e-03 -2.3330000000e-04 -7.7980000000e-04  2.2375000000e-03 -1.1315000000e-03  3.8170000000e-03  1.8636000000e-03  3.2553000000e-03 -3.3148000000e-03  2.3150000000e-03 -7.5626000000e-03 -6.0693000000e-03  8.7830000000e-04  8.3621000000e-03  6.8081000000e-03 -2.1019000000e-03 -2.6900000000e-03 -4.6120000000e-04
-
-JOB 24
-COORDS  1.3112310000e+00  5.9452500000e-01  2.3403200000e-01  1.5894640000e+00  1.7320500000e-01 -5.7917700000e-01  6.5533300000e-01  1.2355610000e+00 -4.0015000000e-02 -1.3424810000e+00 -6.0526900000e-01 -1.3317300000e-01 -1.0515830000e+00 -2.4750000000e-02 -8.3645700000e-01 -6.5051700000e-01 -1.2629320000e+00 -6.3186000000e-02
-ENERGY -1.526504657095e+02
-FORCES -5.1458000000e-03  1.1137000000e-03 -2.6169000000e-03 -3.5154000000e-03  3.6100000000e-04  3.5322000000e-03  2.4730000000e-03 -3.1176000000e-03 -1.4358000000e-03  1.0237800000e-02  6.5060000000e-04  5.9540000000e-04 -1.9700000000e-05  4.8760000000e-04  2.1270000000e-03 -4.0298000000e-03  5.0460000000e-04 -2.2019000000e-03
-
-JOB 25
-COORDS -5.4022100000e-01  8.9645600000e-01  1.0352160000e+00 -7.1553300000e-01  7.0615800000e-01  1.1365000000e-01  1.5852000000e-01  1.5504010000e+00  1.0165240000e+00  5.2642100000e-01 -8.6583900000e-01 -9.3874100000e-01  9.7538000000e-02 -9.3542500000e-01 -1.7916470000e+00  7.1560600000e-01 -1.7707810000e+00 -6.9070900000e-01
-ENERGY -1.526551064507e+02
-FORCES  6.5006000000e-03 -4.1761000000e-03 -8.4951000000e-03 -4.0207000000e-03  4.6006000000e-03  2.4688000000e-03 -2.6495000000e-03 -1.5274000000e-03  7.3820000000e-04  1.0360000000e-04 -4.8407000000e-03  2.4872000000e-03  4.3530000000e-04  2.2455000000e-03  5.3364000000e-03 -3.6930000000e-04  3.6982000000e-03 -2.5354000000e-03
-
-JOB 26
-COORDS -2.1205600000e-01 -1.4749000000e+00  6.1102000000e-02 -6.1332200000e-01 -1.7730440000e+00 -7.5518700000e-01 -1.1113700000e-01 -5.2981200000e-01 -5.2280000000e-02  2.1473900000e-01  1.3786640000e+00 -2.7396000000e-02  5.9650700000e-01  1.6024870000e+00  8.2136000000e-01  1.1321200000e-01  2.2191680000e+00 -4.7402700000e-01
-ENERGY -1.526612784853e+02
-FORCES -1.9410000000e-04  8.9101000000e-03 -3.8452000000e-03  1.1140000000e-03  1.1419000000e-03  2.1998000000e-03 -4.0150000000e-04 -9.1627000000e-03  2.4518000000e-03  3.8900000000e-04  2.4221000000e-03  6.9300000000e-04 -2.0478000000e-03 -5.4690000000e-04 -4.6312000000e-03  1.1405000000e-03 -2.7645000000e-03  3.1319000000e-03
-
-JOB 27
-COORDS -5.1431600000e-01 -1.3945340000e+00  3.9460000000e-03 -2.4259100000e-01 -1.7343790000e+00  8.5653200000e-01  7.1747000000e-02 -6.5515600000e-01 -1.5755100000e-01  5.1765600000e-01  1.3314700000e+00 -2.3100000000e-04  6.5153400000e-01  1.7462280000e+00 -8.5245400000e-01 -3.2663400000e-01  1.6677240000e+00  3.0033300000e-01
-ENERGY -1.526612877664e+02
-FORCES  6.3832000000e-03  7.5852000000e-03  2.1540000000e-03 -1.2233000000e-03  1.4103000000e-03 -2.4731000000e-03 -4.1867000000e-03 -8.9625000000e-03 -9.3390000000e-04 -4.4797000000e-03  3.9068000000e-03 -9.4730000000e-04 -1.2512000000e-03 -2.7363000000e-03  4.0047000000e-03  4.7577000000e-03 -1.2034000000e-03 -1.8043000000e-03
-
-JOB 28
-COORDS  1.2119600000e-01 -3.1295900000e-01 -1.4771360000e+00  1.1948400000e-01  6.1564000000e-02 -5.9624900000e-01  9.4483400000e-01 -1.4800000000e-02 -1.8630800000e+00 -1.1227100000e-01  3.0173400000e-01  1.4232930000e+00 -1.0227570000e+00  4.7271300000e-01  1.1824330000e+00 -1.6711800000e-01 -3.5216300000e-01  2.1201730000e+00
-ENERGY -1.526600699832e+02
-FORCES  4.0516000000e-03  2.3825000000e-03  7.2995000000e-03 -3.8899000000e-03  4.9030000000e-04 -9.0380000000e-03 -2.5848000000e-03 -1.0096000000e-03  1.5166000000e-03 -3.2849000000e-03 -4.2147000000e-03  3.9422000000e-03  6.3425000000e-03 -1.5066000000e-03 -1.4178000000e-03 -6.3450000000e-04  3.8581000000e-03 -2.3026000000e-03
-
-JOB 29
-COORDS -1.0367900000e-01  7.0832000000e-02 -1.5512750000e+00  4.1740400000e-01  6.2770000000e-03 -7.5093900000e-01 -1.0110140000e+00  8.2757000000e-02 -1.2465890000e+00  8.8477000000e-02 -4.6335000000e-02  1.4270620000e+00  4.2277100000e-01 -9.1655200000e-01  1.6443230000e+00  3.4343800000e-01  5.0101400000e-01  2.1697830000e+00
-ENERGY -1.526597276732e+02
-FORCES -2.0892000000e-03  1.0778000000e-03  1.0576200000e-02  1.2580000000e-03 -1.9675000000e-03 -7.0840000000e-03  1.7268000000e-03 -3.4030000000e-04 -3.2892000000e-03  1.3163000000e-03 -2.7680000000e-04  4.9960000000e-03 -1.0221000000e-03  4.7765000000e-03 -2.1155000000e-03 -1.1899000000e-03 -3.2698000000e-03 -3.0834000000e-03
-
-JOB 30
-COORDS -1.1857780000e+00 -2.7826500000e-01  8.0573500000e-01 -1.4257170000e+00  5.0063500000e-01  1.3077080000e+00 -2.0139500000e+00 -7.3669300000e-01  6.6358300000e-01  1.2478250000e+00  2.4767400000e-01 -8.9459700000e-01  1.9916560000e+00  4.2938500000e-01 -3.2020300000e-01  4.8649100000e-01  2.6707500000e-01 -3.1474700000e-01
-ENERGY -1.526602334892e+02
-FORCES -5.8557000000e-03 -1.4195000000e-03  3.7140000000e-04  2.1933000000e-03 -3.4649000000e-03 -3.1331000000e-03  2.9924000000e-03  2.7391000000e-03  2.1039000000e-03 -4.5556000000e-03 -1.9356000000e-03  6.2117000000e-03 -2.8304000000e-03 -2.2980000000e-04 -1.4996000000e-03  8.0560000000e-03  4.3107000000e-03 -4.0544000000e-03
-
-JOB 31
-COORDS -1.0986980000e+00 -9.1212100000e-01 -5.9659200000e-01 -9.1838200000e-01 -1.8486270000e+00 -5.1489400000e-01 -4.4402800000e-01 -4.9211300000e-01 -3.8711000000e-02  1.0361870000e+00  8.7763500000e-01  5.6414000000e-01  1.9099670000e+00  1.2681850000e+00  5.7862800000e-01  4.4198100000e-01  1.6223130000e+00  4.7136200000e-01
-ENERGY -1.526601140338e+02
-FORCES  7.1079000000e-03 -1.7610000000e-04  3.4214000000e-03 -5.0960000000e-04  2.9374000000e-03 -3.5670000000e-04 -8.2951000000e-03 -2.1800000000e-03 -2.5000000000e-03  3.0855000000e-03  4.4013000000e-03 -1.3726000000e-03 -4.0363000000e-03 -2.7000000000e-04  2.6140000000e-04  2.6475000000e-03 -4.7126000000e-03  5.4650000000e-04
-
-JOB 32
-COORDS -1.0482900000e+00  1.0693560000e+00  7.9591000000e-02 -1.9409900000e+00  7.2678500000e-01  1.2390900000e-01 -9.2723800000e-01  1.3054920000e+00 -8.4009300000e-01  1.1650270000e+00 -1.0466630000e+00 -3.1802000000e-02  4.4575400000e-01 -5.8392900000e-01  3.9803100000e-01  7.4988300000e-01 -1.8025240000e+00 -4.4720700000e-01
-ENERGY -1.526593263067e+02
-FORCES -2.7395000000e-03  2.2113000000e-03 -5.5313000000e-03  4.9294000000e-03  2.8900000000e-04 -3.6690000000e-04 -1.9003000000e-03 -1.1293000000e-03  4.4816000000e-03 -7.2640000000e-03  2.7180000000e-03  1.0589000000e-03  5.8865000000e-03 -6.9345000000e-03 -7.1720000000e-04  1.0879000000e-03  2.8455000000e-03  1.0749000000e-03
-
-JOB 33
-COORDS  6.6977300000e-01  8.0078000000e-02 -1.3273730000e+00  1.6000280000e+00 -1.3617100000e-01 -1.2633850000e+00  6.4485900000e-01  8.7963900000e-01 -1.8530270000e+00 -7.7549500000e-01 -9.2977000000e-02  1.3659350000e+00 -3.9107900000e-01 -1.7945100000e-01  4.9359500000e-01 -8.7812000000e-02 -3.9014100000e-01  1.9617680000e+00
-ENERGY -1.526607243660e+02
-FORCES  3.5382000000e-03  3.8402000000e-03 -3.0866000000e-03 -4.3988000000e-03  1.2334000000e-03  1.9340000000e-04  1.2135000000e-03 -4.0488000000e-03  1.8558000000e-03  5.6740000000e-03 -7.0410000000e-04 -5.9740000000e-03 -4.2038000000e-03 -1.2472000000e-03  9.0525000000e-03 -1.8232000000e-03  9.2640000000e-04 -2.0411000000e-03
-
-JOB 34
-COORDS  1.3885700000e-01 -7.5852300000e-01 -1.4464000000e+00  2.1843200000e-01  9.9831000000e-02 -1.8624850000e+00 -4.0080000000e-02 -5.6363400000e-01 -5.2649100000e-01 -1.5297100000e-01  6.3483500000e-01  1.4310340000e+00 -6.5428500000e-01  1.3852240000e+00  1.1119210000e+00  7.4275000000e-01  9.6214300000e-01  1.5134080000e+00
-ENERGY -1.526593237799e+02
-FORCES -1.0256000000e-03  4.7098000000e-03  5.8361000000e-03 -2.0430000000e-04 -2.5510000000e-03  1.3862000000e-03  1.1904000000e-03 -2.6673000000e-03 -8.8033000000e-03  1.7075000000e-03  6.2924000000e-03  2.8786000000e-03  3.0591000000e-03 -4.2338000000e-03  9.5800000000e-05 -4.7271000000e-03 -1.5501000000e-03 -1.3933000000e-03
-
-JOB 35
-COORDS -1.3981790000e+00  8.6828300000e-01  6.0515000000e-02 -7.9742800000e-01  1.4163740000e+00  5.6541700000e-01 -9.0818000000e-01  6.2351000000e-02 -1.0260300000e-01  1.2849730000e+00 -8.8267100000e-01 -9.6128000000e-02  1.6505990000e+00 -7.8373700000e-01  7.8294000000e-01  1.8634650000e+00 -3.6518500000e-01 -6.5629400000e-01
-ENERGY -1.526590912748e+02
-FORCES  7.5818000000e-03 -3.6731000000e-03  8.4700000000e-04 -2.2804000000e-03 -7.5510000000e-04 -1.2109000000e-03 -6.5480000000e-03  4.6471000000e-03  5.8790000000e-04  6.2405000000e-03  1.3970000000e-03  7.0820000000e-04 -2.2306000000e-03  5.0100000000e-04 -4.1774000000e-03 -2.7633000000e-03 -2.1169000000e-03  3.2451000000e-03
-
-JOB 36
-COORDS -6.4753700000e-01  1.4230960000e+00  1.6424000000e-02 -1.5074730000e+00  1.0121210000e+00  1.0497200000e-01 -6.7426400000e-01  1.8538920000e+00 -8.3793700000e-01  6.9141500000e-01 -1.4674750000e+00  8.1382000000e-02  9.7877800000e-01 -1.7133390000e+00 -7.9793800000e-01  5.5194500000e-01 -5.2174700000e-01  3.2614000000e-02
-ENERGY -1.526602510347e+02
-FORCES -6.2831000000e-03  2.5425000000e-03 -2.3770000000e-03  4.7036000000e-03  2.1001000000e-03 -1.0521000000e-03  3.1640000000e-04 -2.7628000000e-03  3.7451000000e-03 -7.2500000000e-05  6.3073000000e-03 -2.7446000000e-03 -1.3041000000e-03  1.1164000000e-03  2.8191000000e-03  2.6397000000e-03 -9.3035000000e-03 -3.9050000000e-04
-
-JOB 37
-COORDS -4.9925000000e-02 -1.2897360000e+00 -8.9781000000e-01 -9.4063200000e-01 -1.2758570000e+00 -5.4755500000e-01 -1.6594200000e-01 -1.3284020000e+00 -1.8471660000e+00  1.6465400000e-01  1.3377030000e+00  9.3978900000e-01  1.5546000000e-01  5.2235700000e-01  4.3843200000e-01 -6.9746500000e-01  1.3744170000e+00  1.3540780000e+00
-ENERGY -1.526581552595e+02
-FORCES -3.6472000000e-03 -2.4974000000e-03 -5.9134000000e-03  5.2733000000e-03  2.6848000000e-03 -1.8610000000e-04 -1.1290000000e-04 -6.3170000000e-04  4.5864000000e-03 -1.3557000000e-03 -5.0744000000e-03 -2.4957000000e-03 -2.8667000000e-03  6.4701000000e-03  6.1328000000e-03  2.7092000000e-03 -9.5140000000e-04 -2.1239000000e-03
-
-JOB 38
-COORDS  1.0158310000e+00 -1.0563580000e+00  6.3606300000e-01  1.9276900000e+00 -1.2557570000e+00  4.2396200000e-01  9.9712700000e-01 -1.0554100000e-01  7.4482500000e-01 -1.0571740000e+00  9.4927900000e-01 -6.5670500000e-01 -1.1206530000e+00  1.7678730000e+00 -1.1487460000e+00 -1.0520070000e+00  1.2207750000e+00  2.6117100000e-01
-ENERGY -1.526525007458e+02
-FORCES  2.3392000000e-03  4.2016000000e-03 -3.2663000000e-03 -3.6574000000e-03  7.1930000000e-04  7.6830000000e-04  1.6150000000e-04 -3.1832000000e-03  2.8995000000e-03 -2.2710000000e-03  3.6616000000e-03  1.3759000000e-03  7.9340000000e-04 -4.0238000000e-03  2.1035000000e-03  2.6343000000e-03 -1.3755000000e-03 -3.8809000000e-03
-
-JOB 39
-COORDS -4.4003600000e-01  6.8606500000e-01 -1.3707960000e+00  4.7344200000e-01  7.5883200000e-01 -1.0942180000e+00 -4.4393500000e-01  1.0064600000e+00 -2.2727740000e+00  3.6427700000e-01 -6.5629700000e-01  1.4461910000e+00  1.1870350000e+00 -5.9277400000e-01  9.6114900000e-01  7.1730000000e-03 -1.5102200000e+00  1.2022160000e+00
-ENERGY -1.526524827618e+02
-FORCES  3.6323000000e-03  2.5276000000e-03 -9.5710000000e-04 -2.2485000000e-03 -1.2749000000e-03 -2.0784000000e-03 -1.2200000000e-04 -1.7308000000e-03  4.2799000000e-03 -3.6130000000e-04 -3.8865000000e-03 -4.0477000000e-03 -3.1606000000e-03  1.4345000000e-03  7.0460000000e-04  2.2601000000e-03  2.9300000000e-03  2.0986000000e-03
-
-JOB 40
-COORDS -5.5898300000e-01  1.1529540000e+00  1.0785560000e+00 -1.4513890000e+00  8.9414300000e-01  1.3084690000e+00 -3.7176700000e-01  6.7649900000e-01  2.6974700000e-01  5.8886100000e-01 -1.0957300000e+00 -9.8465000000e-01  1.2967110000e+00 -8.7599100000e-01 -1.5903680000e+00 -3.6690000000e-03 -1.6455670000e+00 -1.4973090000e+00
-ENERGY -1.526591694068e+02
-FORCES -6.6260000000e-04 -5.7285000000e-03 -3.7817000000e-03  2.8421000000e-03  9.2320000000e-04 -8.9090000000e-04 -3.5154000000e-03  6.6297000000e-03  4.9775000000e-03  2.5894000000e-03 -3.6848000000e-03 -5.2647000000e-03 -3.7279000000e-03 -1.1268000000e-03  2.5317000000e-03  2.4743000000e-03  2.9871000000e-03  2.4280000000e-03
-
-JOB 41
-COORDS -8.9176500000e-01  5.5330000000e-03  1.4062190000e+00 -1.0251650000e+00  4.3960800000e-01  5.6359600000e-01 -1.5658960000e+00  3.7556000000e-01  1.9761840000e+00  9.4688500000e-01 -2.7107000000e-02 -1.3299000000e+00  4.0332600000e-01 -7.7314000000e-01 -1.5832980000e+00  1.2276320000e+00  3.5818800000e-01 -2.1599360000e+00
-ENERGY -1.526557089361e+02
-FORCES -1.3823000000e-03  4.1057000000e-03 -2.0610000000e-03 -2.7382000000e-03 -2.6870000000e-03  4.7383000000e-03  2.8509000000e-03 -1.3220000000e-03 -2.4616000000e-03  1.1651000000e-03 -2.9744000000e-03 -4.8300000000e-03  1.5041000000e-03  4.5081000000e-03  8.3500000000e-04 -1.3995000000e-03 -1.6304000000e-03  3.7793000000e-03
-
-JOB 42
-COORDS -7.0900000000e-02  1.5393690000e+00  8.3537300000e-01  1.0643100000e-01  1.3236000000e+00 -8.0175000000e-02 -1.0142830000e+00  1.4107000000e+00  9.3388100000e-01  1.7709500000e-01 -1.5415330000e+00 -7.8223700000e-01 -3.3103400000e-01 -1.0326730000e+00 -1.5049400000e-01 -4.2451700000e-01 -1.6873050000e+00 -1.5123360000e+00
-ENERGY -1.526548799949e+02
-FORCES -1.6082000000e-03  1.3972000000e-03 -3.6553000000e-03 -2.6159000000e-03  2.8450000000e-04  5.2026000000e-03  4.5002000000e-03 -1.3935000000e-03 -8.7670000000e-04 -4.0067000000e-03 -4.4240000000e-04  1.0926000000e-03  1.1791000000e-03 -1.4554000000e-03 -5.1020000000e-03  2.5515000000e-03  1.6096000000e-03  3.3388000000e-03
-
-JOB 43
-COORDS -5.6770800000e-01  1.4764100000e+00  7.2305200000e-01 -1.4470730000e+00  1.5178880000e+00  3.4724600000e-01  1.4021000000e-02  1.7061530000e+00 -1.5450000000e-03  5.8846700000e-01 -1.5389440000e+00 -6.9973000000e-01  1.6742600000e-01 -1.5766090000e+00  1.5906900000e-01  9.4377000000e-01 -6.5179400000e-01 -7.5411300000e-01
-ENERGY -1.526555964774e+02
-FORCES -2.7818000000e-03  2.8562000000e-03 -4.6164000000e-03  4.0235000000e-03 -1.4670000000e-04  1.9337000000e-03 -1.4342000000e-03 -2.8839000000e-03  2.9941000000e-03 -9.4480000000e-04  4.4602000000e-03  5.4680000000e-03  1.7876000000e-03 -1.9090000000e-03 -4.1160000000e-03 -6.5030000000e-04 -2.3769000000e-03 -1.6635000000e-03
-
-JOB 44
-COORDS -7.3478700000e-01  8.9816000000e-01  1.2432120000e+00 -1.0105600000e-01  1.5709820000e+00  9.9436000000e-01 -1.5679260000e+00  1.3650980000e+00  1.3070890000e+00  7.4483400000e-01 -9.2872100000e-01 -1.2891160000e+00  7.3714500000e-01 -5.6821800000e-01 -4.0243100000e-01  7.6843700000e-01 -1.8771970000e+00 -1.1623590000e+00
-ENERGY -1.526568696951e+02
-FORCES -3.4611000000e-03  5.6671000000e-03 -7.9770000000e-04 -1.9320000000e-03 -4.3681000000e-03  7.0570000000e-04  3.6995000000e-03 -1.3712000000e-03  4.1120000000e-04 -2.0101000000e-03 -2.0464000000e-03  5.6573000000e-03  3.6289000000e-03 -1.2734000000e-03 -5.1958000000e-03  7.4800000000e-05  3.3921000000e-03 -7.8070000000e-04
-
-JOB 45
-COORDS -1.8032600000e-01 -1.2627720000e+00 -1.3317440000e+00  3.4649100000e-01 -1.5569780000e+00 -5.8868300000e-01 -2.6099600000e-01 -3.1688400000e-01 -1.2091840000e+00  1.4700400000e-01  1.1642080000e+00  1.2628890000e+00  8.2171000000e-01  1.7801320000e+00  9.7716000000e-01 -4.0850900000e-01  1.6735290000e+00  1.8529990000e+00
-ENERGY -1.526574923308e+02
-FORCES  1.2331000000e-03  3.9266000000e-03  6.0898000000e-03 -1.3042000000e-03 -4.2640000000e-04 -3.9248000000e-03  5.4760000000e-04 -3.9720000000e-03 -3.5771000000e-03 -3.7300000000e-05  5.4327000000e-03  3.4413000000e-03 -3.2454000000e-03 -3.1138000000e-03  5.1520000000e-04  2.8062000000e-03 -1.8470000000e-03 -2.5443000000e-03
-
-JOB 46
-COORDS  6.7417300000e-01  9.7529600000e-01  1.3580150000e+00  9.5253500000e-01  1.1063700000e-01  1.0561690000e+00  1.4737660000e+00  1.5014200000e+00  1.3493180000e+00 -7.4288300000e-01 -9.3396100000e-01 -1.2724570000e+00 -9.1560600000e-01 -1.7969060000e+00 -1.6489190000e+00 -5.1994600000e-01 -3.8455800000e-01 -2.0239130000e+00
-ENERGY -1.526552495795e+02
-FORCES  3.1592000000e-03 -2.9356000000e-03 -2.0202000000e-03  8.8720000000e-04  4.5312000000e-03  3.1055000000e-03 -3.2404000000e-03 -1.9580000000e-03 -3.5490000000e-04 -1.2285000000e-03 -3.9850000000e-04 -5.4539000000e-03  1.0042000000e-03  3.7176000000e-03  1.8411000000e-03 -5.8170000000e-04 -2.9567000000e-03  2.8823000000e-03
-
-JOB 47
-COORDS  1.3286100000e-01 -1.8364000000e-01 -1.7919550000e+00  8.2865000000e-02  5.4229300000e-01 -1.1700590000e+00  3.7922600000e-01  2.2693500000e-01 -2.6207880000e+00 -1.7296800000e-01  5.5663000000e-02  1.8059970000e+00  5.2800600000e-01  3.4019000000e-01  2.3924360000e+00 -3.1332700000e-01  8.0008700000e-01  1.2208770000e+00
-ENERGY -1.526515150579e+02
-FORCES  9.9090000000e-04  4.1058000000e-03 -7.3510000000e-04 -5.0750000000e-04 -1.4896000000e-03 -1.6155000000e-03 -9.7330000000e-04 -1.9517000000e-03  3.7470000000e-03  2.4265000000e-03  3.6264000000e-03  1.0318000000e-03 -3.2191000000e-03 -1.2019000000e-03 -2.5618000000e-03  1.2824000000e-03 -3.0889000000e-03  1.3350000000e-04
-
-JOB 48
-COORDS  5.5087600000e-01 -1.4998210000e+00  9.4008300000e-01  3.2710100000e-01 -7.1050200000e-01  4.4700000000e-01  5.7040000000e-03 -1.4547220000e+00  1.7255680000e+00 -4.5830900000e-01  1.4701230000e+00 -9.1134900000e-01 -4.4822200000e-01  1.5463900000e+00 -1.8654520000e+00 -1.3425390000e+00  1.1677730000e+00 -7.0410000000e-01
-ENERGY -1.526575774581e+02
-FORCES -1.9590000000e-03  5.0366000000e-03  3.8620000000e-04 -4.7000000000e-05 -6.5955000000e-03  3.9287000000e-03  1.5991000000e-03 -2.2530000000e-04 -3.1715000000e-03 -4.0353000000e-03  1.7881000000e-03 -5.5142000000e-03 -5.0510000000e-04 -1.0210000000e-04  4.3551000000e-03  4.9473000000e-03  9.8200000000e-05  1.5800000000e-05
-
-JOB 49
-COORDS  3.4770100000e-01  8.4620000000e-01 -1.5007010000e+00  2.0817900000e-01  1.1917530000e+00 -2.3823800000e+00  6.2618100000e-01  1.6043980000e+00 -9.8706900000e-01 -4.1759000000e-01 -9.0060100000e-01  1.5536630000e+00 -1.4810600000e-01 -6.8993100000e-01  6.5966700000e-01  3.4520700000e-01 -1.3318020000e+00  1.9389400000e+00
-ENERGY -1.526581898572e+02
-FORCES -1.3900000000e-05  5.5244000000e-03 -3.5566000000e-03  1.0208000000e-03 -7.5830000000e-04  3.7501000000e-03 -9.9190000000e-04 -3.8602000000e-03 -2.1918000000e-03  3.6889000000e-03 -9.5210000000e-04 -3.8931000000e-03 -9.1770000000e-04 -1.7754000000e-03  7.1741000000e-03 -2.7862000000e-03  1.8215000000e-03 -1.2828000000e-03
-
-JOB 50
-COORDS  4.0810300000e-01  1.0027560000e+00 -1.4659360000e+00  1.1219000000e-02  1.8285770000e+00 -1.7429470000e+00 -3.3358100000e-01  4.1188100000e-01 -1.3355370000e+00 -3.0551000000e-01 -9.7252100000e-01  1.5043550000e+00 -1.2498280000e+00 -8.8759900000e-01  1.3728840000e+00 -8.1116000000e-02 -1.8100560000e+00  1.0988750000e+00
-ENERGY -1.526530284942e+02
-FORCES -4.4383000000e-03  6.7080000000e-04  1.1628000000e-03  1.5073000000e-03 -3.4011000000e-03  1.1804000000e-03  2.1818000000e-03  2.1666000000e-03 -2.2358000000e-03 -1.8331000000e-03 -3.3590000000e-03 -7.9800000000e-04  4.0930000000e-03  1.1310000000e-04 -6.3930000000e-04 -1.5107000000e-03  3.8096000000e-03  1.3300000000e-03
-
-JOB 51
-COORDS -1.5497190000e+00 -1.1041120000e+00 -2.7968100000e-01 -9.5325200000e-01 -1.0246520000e+00 -1.0240910000e+00 -1.3031060000e+00 -3.8598400000e-01  3.0316200000e-01  1.4904090000e+00  1.1246370000e+00  2.8876000000e-01  1.5581340000e+00  5.1887300000e-01 -4.4927500000e-01  1.5679440000e+00  5.6826300000e-01  1.0637880000e+00
-ENERGY -1.526550048142e+02
-FORCES  2.5958000000e-03  4.7532000000e-03 -8.8120000000e-04 -1.4281000000e-03 -9.2460000000e-04  3.0171000000e-03 -1.2392000000e-03 -4.6124000000e-03 -1.9585000000e-03  3.3283000000e-03 -4.2343000000e-03  5.1490000000e-04 -1.8745000000e-03  2.4178000000e-03  2.9689000000e-03 -1.3823000000e-03  2.6002000000e-03 -3.6612000000e-03
-
-JOB 52
-COORDS  6.2356300000e-01 -6.2590700000e-01 -1.6034270000e+00  8.2921500000e-01  2.5478900000e-01 -1.2898760000e+00  1.2432790000e+00 -7.7738800000e-01 -2.3170360000e+00 -6.8283500000e-01  6.2738400000e-01  1.6711800000e+00 -2.0616800000e-01  6.8368200000e-01  8.4301800000e-01 -1.0126870000e+00 -2.7079700000e-01  1.6976490000e+00
-ENERGY -1.526541998503e+02
-FORCES  4.6307000000e-03  2.4320000000e-03 -3.8919000000e-03 -2.3988000000e-03 -3.8329000000e-03  1.4334000000e-03 -2.8184000000e-03  6.5560000000e-04  3.0020000000e-03  9.5100000000e-05 -5.2042000000e-03 -3.7459000000e-03 -4.6360000000e-04  1.8386000000e-03  2.2068000000e-03  9.5500000000e-04  4.1109000000e-03  9.9550000000e-04
-
-JOB 53
-COORDS  2.3264500000e-01  1.7839690000e+00 -5.0525600000e-01  8.0969200000e-01  1.0471870000e+00 -3.0425900000e-01  6.5479900000e-01  2.2253140000e+00 -1.2422990000e+00 -2.2365000000e-01 -1.7778680000e+00  5.3101100000e-01 -7.5589500000e-01 -1.1716490000e+00  1.5797000000e-02 -8.4436900000e-01 -2.1926020000e+00  1.1301230000e+00
-ENERGY -1.526570773918e+02
-FORCES  5.3336000000e-03 -3.4640000000e-04 -1.6404000000e-03 -3.6882000000e-03  3.7151000000e-03 -2.0718000000e-03 -1.6953000000e-03 -1.8257000000e-03  3.0515000000e-03 -5.8871000000e-03  3.5320000000e-04  9.0170000000e-04  3.5600000000e-03 -3.2917000000e-03  2.3567000000e-03  2.3770000000e-03  1.3955000000e-03 -2.5977000000e-03
-
-JOB 54
-COORDS -2.4274200000e-01 -1.5843440000e+00 -1.0332780000e+00 -9.9361200000e-01 -1.8221490000e+00 -4.8933500000e-01  2.4932500000e-01 -2.3993460000e+00 -1.1326430000e+00  2.8480400000e-01  1.5905510000e+00  1.0500300000e+00  1.4823000000e-02  1.5165820000e+00  1.3467700000e-01  5.5888000000e-02  2.4868140000e+00  1.2960810000e+00
-ENERGY -1.526556117084e+02
-FORCES -3.7160000000e-04 -4.9497000000e-03  2.6339000000e-03  2.7830000000e-03  9.4970000000e-04 -2.8389000000e-03 -2.2973000000e-03  3.0481000000e-03  2.0340000000e-04 -1.5362000000e-03  2.4948000000e-03 -3.7784000000e-03  5.8640000000e-04  2.1479000000e-03  4.7196000000e-03  8.3580000000e-04 -3.6908000000e-03 -9.3950000000e-04
-
-JOB 55
-COORDS -1.4632070000e+00  1.1760270000e+00 -7.1842800000e-01 -1.4788450000e+00  2.0598360000e+00 -1.0856720000e+00 -5.5396300000e-01  1.0436920000e+00 -4.5011000000e-01  1.3968390000e+00 -1.1523540000e+00  7.3205700000e-01  1.5008250000e+00 -1.7936410000e+00  1.4350300000e+00  1.6157610000e+00 -1.6334430000e+00 -6.5977000000e-02
-ENERGY -1.526563623092e+02
-FORCES  4.3015000000e-03  2.3193000000e-03  7.0170000000e-04  7.6200000000e-05 -3.4667000000e-03  1.3495000000e-03 -4.8250000000e-03  2.0997000000e-03 -2.8027000000e-03  1.1988000000e-03 -5.7832000000e-03  5.5490000000e-04  3.5100000000e-05  2.4081000000e-03 -3.0915000000e-03 -7.8660000000e-04  2.4228000000e-03  3.2882000000e-03
-
-JOB 56
-COORDS  1.4943660000e+00 -1.2677330000e+00 -5.6906200000e-01  7.9740700000e-01 -1.3526310000e+00 -1.2196560000e+00  1.3332870000e+00 -1.9801940000e+00  4.9553000000e-02 -1.4674600000e+00  1.2839420000e+00  5.1304300000e-01 -6.4902600000e-01  1.1062410000e+00  9.7652900000e-01 -1.8928480000e+00  1.9675590000e+00  1.0306760000e+00
-ENERGY -1.526558840784e+02
-FORCES -3.7325000000e-03 -3.6999000000e-03 -1.2722000000e-03  3.5037000000e-03 -1.2450000000e-04  2.7938000000e-03  7.2640000000e-04  3.2437000000e-03 -2.1584000000e-03  2.3708000000e-03  2.2821000000e-03  3.8005000000e-03 -4.6087000000e-03  1.0900000000e-03 -1.1768000000e-03  1.7404000000e-03 -2.7915000000e-03 -1.9870000000e-03
-
-JOB 57
-COORDS  1.2464200000e+00 -3.1625000000e-01 -1.5832720000e+00  1.4843490000e+00 -7.4943500000e-01 -2.4030120000e+00  4.0207900000e-01  9.5994000000e-02 -1.7659590000e+00 -1.2023070000e+00  3.1936700000e-01  1.6988930000e+00 -1.8953170000e+00 -1.1662600000e-01  1.2030310000e+00 -6.5888100000e-01  7.4017100000e-01  1.0326770000e+00
-ENERGY -1.526536496630e+02
-FORCES -1.5343000000e-03 -8.4110000000e-04 -5.1141000000e-03 -1.0999000000e-03  1.8978000000e-03  3.4459000000e-03  2.9922000000e-03 -1.3278000000e-03  2.1585000000e-03  5.3940000000e-04 -7.1080000000e-04 -4.4549000000e-03  2.6338000000e-03  2.0983000000e-03  1.7197000000e-03 -3.5313000000e-03 -1.1163000000e-03  2.2449000000e-03
-
-JOB 58
-COORDS -1.5760050000e+00  1.9057400000e-01  1.3008320000e+00 -8.3198000000e-01  5.8230400000e-01  1.7582230000e+00 -2.3421760000e+00  4.8288600000e-01  1.7945610000e+00  1.5823680000e+00 -2.9728100000e-01 -1.3449280000e+00  1.3525990000e+00  4.0088100000e-01 -7.3173300000e-01  1.6283810000e+00  1.3696000000e-01 -2.1967200000e+00
-ENERGY -1.526534905386e+02
-FORCES -7.1920000000e-04  2.1140000000e-03  4.5048000000e-03 -2.5742000000e-03 -1.1257000000e-03 -2.7665000000e-03  3.2361000000e-03 -1.2382000000e-03 -2.1318000000e-03 -2.0984000000e-03  4.4848000000e-03 -1.0604000000e-03  2.0350000000e-03 -2.4528000000e-03 -1.9194000000e-03  1.2060000000e-04 -1.7821000000e-03  3.3733000000e-03
-
-JOB 59
-COORDS -1.3285990000e+00  1.8854010000e+00  3.2026000000e-02 -9.4247400000e-01  2.0068890000e+00 -8.3537300000e-01 -9.9770100000e-01  1.0364260000e+00  3.2525100000e-01  1.2457380000e+00 -1.7853870000e+00 -2.0149000000e-02  2.1085330000e+00 -1.7691760000e+00  3.9404100000e-01  1.0170080000e+00 -2.7139160000e+00 -6.1956000000e-02
-ENERGY -1.526562761529e+02
-FORCES  3.5146000000e-03 -3.9102000000e-03 -2.4113000000e-03 -1.7694000000e-03  1.3350000000e-04  3.2361000000e-03 -2.2985000000e-03  4.5030000000e-03 -7.6410000000e-04  3.1688000000e-03 -4.4946000000e-03  1.4746000000e-03 -3.6710000000e-03 -1.3220000000e-04 -1.7630000000e-03  1.0556000000e-03  3.9004000000e-03  2.2760000000e-04
-
-JOB 60
-COORDS -1.2493310000e+00  1.4404340000e+00  1.0716810000e+00 -1.1188710000e+00  1.9567840000e+00  1.8670390000e+00 -2.1249670000e+00  1.6819130000e+00  7.6972000000e-01  1.3227780000e+00 -1.5050810000e+00 -1.1471950000e+00  1.2256330000e+00 -6.0290400000e-01 -8.4244900000e-01  7.8974200000e-01 -2.0213400000e+00 -5.4256200000e-01
-ENERGY -1.526560879439e+02
-FORCES -3.6449000000e-03  3.6263000000e-03  2.2107000000e-03 -5.7080000000e-04 -2.1818000000e-03 -3.3411000000e-03  3.6538000000e-03 -9.6440000000e-04  1.4412000000e-03 -3.2792000000e-03  2.3721000000e-03  4.2200000000e-03  1.4699000000e-03 -4.1539000000e-03 -1.9280000000e-03  2.3712000000e-03  1.3017000000e-03 -2.6028000000e-03
-
-JOB 61
-COORDS  2.1982020000e+00  2.7295400000e-01  6.4876000000e-01  1.7636310000e+00  1.0685700000e+00  3.4155500000e-01  2.7930350000e+00  3.4580000000e-02 -6.2284000000e-02 -2.2651220000e+00 -2.8974900000e-01 -6.0390100000e-01 -1.4886300000e+00  2.6967500000e-01 -6.2223600000e-01 -1.9431720000e+00 -1.1371800000e+00 -2.9658800000e-01
-ENERGY -1.526544651837e+02
-FORCES  2.1373000000e-03  2.7092000000e-03 -3.7022000000e-03  8.5760000000e-04 -3.9033000000e-03  9.3910000000e-04 -2.8407000000e-03  9.6670000000e-04  2.9699000000e-03  4.8140000000e-03 -1.6666000000e-03  1.7950000000e-03 -3.1762000000e-03 -1.4905000000e-03 -3.9680000000e-04 -1.7921000000e-03  3.3845000000e-03 -1.6050000000e-03
-
-JOB 62
-COORDS -1.1633600000e+00  5.9754600000e-01  1.9643270000e+00 -1.1316050000e+00 -3.5886400000e-01  1.9419170000e+00 -2.0966070000e+00  8.0571100000e-01  2.0084860000e+00  1.1950440000e+00 -4.9262600000e-01 -1.9734320000e+00  2.0295670000e+00 -8.9044500000e-01 -2.2215100000e+00  6.9827500000e-01 -1.2065450000e+00 -1.5737180000e+00
-ENERGY -1.526531894774e+02
-FORCES -3.6505000000e-03 -2.6595000000e-03 -7.3700000000e-05 -5.0500000000e-05  3.6288000000e-03 -1.0830000000e-04  3.8545000000e-03 -9.4960000000e-04 -9.7900000000e-05  1.4021000000e-03 -4.1770000000e-03  9.5670000000e-04 -3.4625000000e-03  1.6106000000e-03  9.8590000000e-04  1.9069000000e-03  2.5468000000e-03 -1.6626000000e-03
-
-JOB 63
-COORDS  3.4621200000e-01  6.2144800000e-01  2.3385760000e+00  3.4223200000e-01 -1.8621500000e-01  2.8522850000e+00  5.0971300000e-01  3.3377600000e-01  1.4403870000e+00 -3.7822000000e-01 -5.3662300000e-01 -2.3821430000e+00 -9.0706000000e-01 -5.6199300000e-01 -1.5847000000e+00  4.7748100000e-01 -8.7094200000e-01 -2.1133700000e+00
-ENERGY -1.526532124145e+02
-FORCES  1.0280000000e-03 -4.0965000000e-03 -9.9370000000e-04 -6.2900000000e-05  3.3509000000e-03 -2.4683000000e-03 -1.1184000000e-03  6.3020000000e-04  3.3453000000e-03  8.3980000000e-04 -1.5931000000e-03  3.4676000000e-03  2.9970000000e-03  8.5100000000e-05 -2.9200000000e-03 -3.6834000000e-03  1.6234000000e-03 -4.3100000000e-04
-
-JOB 64
-COORDS  3.5112300000e-01  1.7441600000e+00  1.5631420000e+00  8.1248600000e-01  1.3026620000e+00  2.2762030000e+00  2.9371400000e-01  2.6575320000e+00  1.8436530000e+00 -3.5037800000e-01 -1.7857820000e+00 -1.6810290000e+00 -9.0416100000e-01 -1.0394270000e+00 -1.4518770000e+00 -2.3194200000e-01 -2.2586160000e+00 -8.5723800000e-01
-ENERGY -1.526548624813e+02
-FORCES  2.0993000000e-03  2.4088000000e-03  4.0881000000e-03 -2.1111000000e-03  1.6354000000e-03 -2.9139000000e-03  2.0160000000e-04 -3.8102000000e-03 -1.0686000000e-03 -1.5467000000e-03  2.0552000000e-03  4.7138000000e-03  1.7913000000e-03 -3.6626000000e-03 -1.4871000000e-03 -4.3430000000e-04  1.3734000000e-03 -3.3324000000e-03
-
-JOB 65
-COORDS  6.1770500000e-01 -2.0504510000e+00  1.0443320000e+00  4.9151400000e-01 -2.3285250000e+00  1.9515150000e+00  6.7353700000e-01 -2.8673090000e+00  5.4849100000e-01 -6.2810900000e-01  2.0615690000e+00 -1.0368250000e+00 -3.2589700000e-01  2.9017910000e+00 -6.9197000000e-01 -6.5818900000e-01  2.1882070000e+00 -1.9851340000e+00
-ENERGY -1.526529754213e+02
-FORCES -6.6170000000e-04 -4.1567000000e-03  1.4774000000e-03  6.3440000000e-04  1.1309000000e-03 -3.6489000000e-03 -1.1720000000e-04  3.2671000000e-03  2.0250000000e-03  1.5110000000e-03  3.5647000000e-03 -2.2321000000e-03 -1.3790000000e-03 -3.3028000000e-03 -1.4273000000e-03  1.2500000000e-05 -5.0310000000e-04  3.8059000000e-03
-
-JOB 66
-COORDS  3.6105800000e-01 -4.0765600000e-01  2.3387870000e+00  4.0303900000e-01  3.7124100000e-01  2.8935760000e+00 -8.7553000000e-02 -1.0608540000e+00  2.8757340000e+00 -3.0300300000e-01  3.4660900000e-01 -2.4369440000e+00 -1.0857140000e+00  3.7803400000e-01 -1.8868450000e+00 -4.8699000000e-02  1.2630560000e+00 -2.5450490000e+00
-ENERGY -1.526538828320e+02
-FORCES -1.2365000000e-03  1.6570000000e-04  4.6025000000e-03 -3.2390000000e-04 -3.0893000000e-03 -2.4411000000e-03  1.7272000000e-03  2.8111000000e-03 -2.2478000000e-03 -1.7842000000e-03  3.5816000000e-03  2.8297000000e-03  2.7109000000e-03  7.2600000000e-05 -2.8960000000e-03 -1.0934000000e-03 -3.5417000000e-03  1.5270000000e-04
-
-JOB 67
-COORDS  9.4004400000e-01  2.3842060000e+00 -1.4667000000e-01  4.0240100000e-01  1.6736850000e+00 -4.9643100000e-01  7.4782400000e-01  3.1316760000e+00 -7.1286100000e-01 -9.0368100000e-01 -2.4389700000e+00  1.5169100000e-01 -2.2204300000e-01 -1.7707300000e+00  2.2279900000e-01 -1.4821270000e+00 -2.2718700000e+00  8.9580800000e-01
-ENERGY -1.526541500502e+02
-FORCES -2.9425000000e-03  8.2400000000e-04 -4.2354000000e-03  2.3500000000e-03  2.2531000000e-03  2.0712000000e-03  8.0340000000e-04 -3.0907000000e-03  2.4151000000e-03  6.5450000000e-04  2.7735000000e-03  3.9593000000e-03 -3.1880000000e-03 -2.1807000000e-03 -9.1910000000e-04  2.3226000000e-03 -5.7920000000e-04 -3.2911000000e-03
-
-JOB 68
-COORDS -4.7353300000e-01  2.4887070000e+00 -7.3035000000e-02 -5.0348800000e-01  3.4454300000e+00 -6.9119000000e-02 -9.6934800000e-01  2.2298970000e+00  7.0376400000e-01  4.7968000000e-01 -2.5819150000e+00  6.0940000000e-03  1.3223270000e+00 -2.1389240000e+00 -9.3591000000e-02 -1.0316000000e-02 -2.0310390000e+00  6.1656200000e-01
-ENERGY -1.526542716471e+02
-FORCES -2.4301000000e-03  3.4106000000e-03  2.8337000000e-03  1.2650000000e-04 -3.9786000000e-03  6.1800000000e-05  2.3133000000e-03  6.1120000000e-04 -3.0612000000e-03  1.4839000000e-03  4.6829000000e-03  1.5803000000e-03 -3.2595000000e-03 -2.2439000000e-03  6.2470000000e-04  1.7658000000e-03 -2.4822000000e-03 -2.0393000000e-03
-
-JOB 69
-COORDS -7.7793300000e-01 -1.9706550000e+00  1.5036180000e+00 -1.5569990000e+00 -2.3332810000e+00  1.9252710000e+00 -4.7398000000e-02 -2.4446720000e+00  1.9009300000e+00  7.9641100000e-01  2.0780110000e+00 -1.5403590000e+00  1.0771530000e+00  1.3881080000e+00 -9.3915200000e-01  2.2564600000e-01  1.6328880000e+00 -2.1667160000e+00
-ENERGY -1.526549438209e+02
-FORCES -5.9620000000e-04 -3.5536000000e-03  3.7180000000e-03  3.2741000000e-03  1.3691000000e-03 -1.7330000000e-03 -2.8947000000e-03  2.0591000000e-03 -1.7942000000e-03 -1.6550000000e-03 -5.0661000000e-03  3.9570000000e-04 -5.2420000000e-04  3.1547000000e-03 -2.7238000000e-03  2.3960000000e-03  2.0369000000e-03  2.1374000000e-03
-
-JOB 70
-COORDS -6.2581300000e-01  2.7594970000e+00 -1.7739100000e-01  1.5713600000e-01  2.2216760000e+00 -2.9559500000e-01 -1.1487130000e+00  2.2835820000e+00  4.6783200000e-01  5.7628100000e-01 -2.6579530000e+00  1.8767000000e-01  1.4313540000e+00 -3.0721030000e+00  3.0412500000e-01  3.3115700000e-01 -2.8630850000e+00 -7.1458600000e-01
-ENERGY -1.526549256465e+02
-FORCES  1.1023000000e-03 -4.5868000000e-03  2.3792000000e-03 -3.0510000000e-03  2.5791000000e-03  2.1180000000e-04  1.9227000000e-03  2.2784000000e-03 -2.6355000000e-03  2.4577000000e-03 -3.1429000000e-03 -3.1943000000e-03 -3.5098000000e-03  1.8350000000e-03 -5.2200000000e-04  1.0782000000e-03  1.0373000000e-03  3.7608000000e-03
-
-JOB 71
-COORDS  1.0485960000e+00  7.6080000000e-03  2.7745610000e+00  1.4452700000e-01  3.0939800000e-01  2.8629610000e+00  1.3585060000e+00 -8.8945000000e-02  3.6750410000e+00 -9.9704300000e-01  2.5099000000e-02 -2.8665840000e+00 -5.6379500000e-01 -2.8829300000e-01 -2.0726610000e+00 -1.8097730000e+00 -4.7859600000e-01 -2.9112430000e+00
-ENERGY -1.526544147698e+02
-FORCES -2.1592000000e-03  1.0642000000e-03  4.3603000000e-03  3.6211000000e-03 -1.4418000000e-03 -5.8860000000e-04 -1.3445000000e-03  3.7580000000e-04 -3.6825000000e-03 -1.1664000000e-03 -3.4041000000e-03  3.1374000000e-03 -2.1446000000e-03  1.3131000000e-03 -3.4262000000e-03  3.1935000000e-03  2.0928000000e-03  1.9950000000e-04
-
-JOB 72
-COORDS  3.5717000000e-02 -2.1879900000e-01  3.0916880000e+00 -5.2987200000e-01 -8.2807000000e-01  2.6172100000e+00 -4.9568000000e-02  6.0761900000e-01  2.6163020000e+00 -3.4733000000e-02  2.5930800000e-01 -3.0496480000e+00  9.0534500000e-01  2.3877200000e-01 -2.8705860000e+00 -3.0664700000e-01 -6.5760700000e-01 -3.0101380000e+00
-ENERGY -1.526543750194e+02
-FORCES -2.8730000000e-03  1.1126000000e-03 -3.8411000000e-03  2.4221000000e-03  2.3027000000e-03  1.9085000000e-03  4.9100000000e-04 -3.4683000000e-03  2.0331000000e-03  2.9363000000e-03 -3.8708000000e-03  3.8850000000e-04 -3.9916000000e-03  1.1490000000e-04 -5.7580000000e-04  1.0152000000e-03  3.8089000000e-03  8.6900000000e-05
-
-JOB 73
-COORDS -1.2221040000e+00  3.0335920000e+00  1.7722400000e+00 -1.2016870000e+00  2.8750570000e+00  2.7159990000e+00 -2.0602240000e+00  2.6704970000e+00  1.4859730000e+00  1.2231620000e+00 -3.0429940000e+00 -1.8246910000e+00  2.0925560000e+00 -3.0009860000e+00 -2.2229640000e+00  1.2223540000e+00 -2.3396010000e+00 -1.1754850000e+00
-ENERGY -1.526543122275e+02
-FORCES -3.5107000000e-03 -1.9657000000e-03  2.7222000000e-03 -1.3400000000e-05  5.8840000000e-04 -3.8826000000e-03  3.5086000000e-03  1.4365000000e-03  1.1742000000e-03  3.5802000000e-03  3.1871000000e-03  9.9250000000e-04 -3.5268000000e-03 -2.3760000000e-04  1.6128000000e-03 -3.7900000000e-05 -3.0088000000e-03 -2.6191000000e-03
-
-JOB 74
-COORDS  1.7645340000e+00 -2.3449840000e+00  2.6167470000e+00  2.0251700000e+00 -1.8532700000e+00  3.3955400000e+00  8.7461100000e-01 -2.6417610000e+00  2.8069890000e+00 -1.7109440000e+00  2.3781380000e+00 -2.7093480000e+00 -1.6175450000e+00  2.3877410000e+00 -1.7567640000e+00 -2.1344050000e+00  1.5412640000e+00 -2.9005420000e+00
-ENERGY -1.526540594855e+02
-FORCES -2.3966000000e-03  6.7940000000e-04  4.0617000000e-03 -1.1369000000e-03 -1.9797000000e-03 -3.2184000000e-03  3.5634000000e-03  1.3020000000e-03 -8.6430000000e-04 -1.1621000000e-03 -3.4785000000e-03  3.0978000000e-03 -4.9720000000e-04  2.8900000000e-05 -3.8572000000e-03  1.6294000000e-03  3.4479000000e-03  7.8050000000e-04
-
-JOB 75
-COORDS -1.1664880000e+00 -3.5323120000e+00 -1.3536240000e+00 -1.2483870000e+00 -3.9517350000e+00 -2.2101330000e+00 -2.5932300000e-01 -3.6926330000e+00 -1.0936590000e+00  1.1258790000e+00  3.5908180000e+00  1.3202090000e+00  1.8984180000e+00  3.4524730000e+00  1.8681840000e+00  3.9218100000e-01  3.3004600000e+00  1.8620670000e+00
-ENERGY -1.526540867665e+02
-FORCES  3.3999000000e-03 -2.2577000000e-03 -2.5410000000e-03  3.2270000000e-04  1.6608000000e-03  3.5157000000e-03 -3.7113000000e-03  5.9750000000e-04 -9.8940000000e-04  1.6000000000e-05 -1.8264000000e-03  4.4113000000e-03 -3.0946000000e-03  5.6510000000e-04 -2.2435000000e-03  3.0672000000e-03  1.2609000000e-03 -2.1531000000e-03
-
-JOB 76
-COORDS -6.5003600000e-01 -4.0085680000e+00 -7.7741900000e-01 -1.1440380000e+00 -3.2558840000e+00 -4.5236400000e-01  7.3231000000e-02 -4.1065170000e+00 -1.5812700000e-01  6.0329300000e-01  4.0246640000e+00  7.6213200000e-01  5.6779200000e-01  3.8225410000e+00 -1.7281100000e-01  1.2310040000e+00  3.3967160000e+00  1.1197520000e+00
-ENERGY -1.526540313998e+02
-FORCES  8.0480000000e-04  2.5288000000e-03  3.9155000000e-03  2.1226000000e-03 -3.0121000000e-03 -1.3721000000e-03 -2.9074000000e-03  4.8550000000e-04 -2.5642000000e-03  2.5041000000e-03 -3.2050000000e-03 -2.4284000000e-03  1.1130000000e-04  7.4430000000e-04  3.8826000000e-03 -2.6355000000e-03  2.4585000000e-03 -1.4333000000e-03
-
-JOB 77
-COORDS  9.3830000000e-02 -4.1320070000e+00 -8.1272500000e-01  9.9381100000e-01 -4.4431380000e+00 -9.1000100000e-01 -4.4704500000e-01 -4.8718570000e+00 -1.0889660000e+00 -6.7314000000e-02  4.1969250000e+00  7.7849700000e-01 -3.2790200000e-01  3.4113220000e+00  1.2592810000e+00 -5.1253100000e-01  4.9136470000e+00  1.2305200000e+00
-ENERGY -1.526541398649e+02
-FORCES  1.5137000000e-03 -4.2636000000e-03 -1.6198000000e-03 -3.6903000000e-03  1.2402000000e-03  4.3610000000e-04  2.1891000000e-03  3.0124000000e-03  1.1598000000e-03 -2.9045000000e-03 -4.6270000000e-04  3.7537000000e-03  1.0693000000e-03  3.3439000000e-03 -1.8926000000e-03  1.8227000000e-03 -2.8701000000e-03 -1.8372000000e-03
-
-JOB 78
-COORDS  9.7724600000e-01 -4.1847230000e+00 -2.9277200000e-01  3.5769500000e-01 -3.8203840000e+00 -9.2494700000e-01  1.2859590000e+00 -4.9947200000e+00 -6.9877000000e-01 -1.0033360000e+00  4.2195040000e+00  2.9439000000e-01 -4.6407700000e-01  4.8779540000e+00  7.3242400000e-01 -8.4239400000e-01  3.4129990000e+00  7.8416400000e-01
-ENERGY -1.526542322509e+02
-FORCES -1.2702000000e-03 -1.8685000000e-03 -4.2940000000e-03  2.5347000000e-03 -1.4632000000e-03  2.6285000000e-03 -1.2551000000e-03  3.3025000000e-03  1.6658000000e-03  2.9047000000e-03 -6.3840000000e-04  3.8355000000e-03 -2.2108000000e-03 -2.6503000000e-03 -1.7978000000e-03 -7.0320000000e-04  3.3178000000e-03 -2.0381000000e-03
-
-JOB 79
-COORDS  1.0886430000e+00 -5.8111200000e-01 -4.1305490000e+00  1.7878300000e+00  6.9996000000e-02 -4.1890960000e+00  1.1460450000e+00 -1.0694100000e+00 -4.9518300000e+00 -1.1877200000e+00  5.4573300000e-01  4.1883530000e+00 -9.4670200000e-01  1.4612390000e+00  4.3297430000e+00 -3.8232300000e-01  1.3040500000e-01  3.8800170000e+00
-ENERGY -1.526540550243e+02
-FORCES  3.0090000000e-03  6.3930000000e-04 -3.6625000000e-03 -2.8281000000e-03 -2.6493000000e-03  2.9910000000e-04 -2.0410000000e-04  2.0036000000e-03  3.3626000000e-03  4.2523000000e-03  1.9910000000e-03 -8.6990000000e-04 -9.7680000000e-04 -3.7055000000e-03 -5.1320000000e-04 -3.2522000000e-03  1.7210000000e-03  1.3839000000e-03
-
-JOB 80
-COORDS -1.5979400000e-01  2.1663000000e+00 -3.7422390000e+00  2.2451500000e-01  1.4150840000e+00 -4.1941380000e+00 -6.1959000000e-01  2.6497540000e+00 -4.4286000000e+00  1.5227100000e-01 -2.1780370000e+00  3.7445160000e+00  9.3598800000e-01 -2.3123620000e+00  4.2774110000e+00 -4.0857100000e-01 -1.6166230000e+00  4.2797760000e+00
-ENERGY -1.526540096105e+02
-FORCES -3.1120000000e-04 -1.2249000000e-03 -4.5714000000e-03 -1.5559000000e-03  3.1309000000e-03  1.7725000000e-03  1.8732000000e-03 -1.9329000000e-03  2.7975000000e-03  9.0010000000e-04  1.8880000000e-03  4.2752000000e-03 -3.1887000000e-03  4.9580000000e-04 -2.1555000000e-03  2.2825000000e-03 -2.3570000000e-03 -2.1183000000e-03
-
-JOB 81
-COORDS  1.9805630000e+00 -3.0891140000e+00 -2.7692100000e+00  1.4214450000e+00 -2.5763580000e+00 -3.3529050000e+00  1.7648480000e+00 -3.9999940000e+00 -2.9692000000e+00 -1.9101870000e+00  3.0622750000e+00  2.8288250000e+00 -2.2548600000e+00  3.7180010000e+00  3.4350060000e+00 -2.1124530000e+00  3.4089580000e+00  1.9598420000e+00
-ENERGY -1.526539561927e+02
-FORCES -3.2028000000e-03 -1.6125000000e-03 -3.0984000000e-03  2.2941000000e-03 -2.0867000000e-03  2.3303000000e-03  8.9570000000e-04  3.7116000000e-03  7.8110000000e-04 -2.1564000000e-03  4.0727000000e-03 -1.0747000000e-03  1.3878000000e-03 -2.6776000000e-03 -2.4752000000e-03  7.8170000000e-04 -1.4074000000e-03  3.5369000000e-03
-
-JOB 82
-COORDS -1.3879890000e+00 -2.2342800000e+00  4.5859830000e+00 -1.2779900000e+00 -1.2837900000e+00  4.6124570000e+00 -1.2388580000e+00 -2.4677000000e+00  3.6697370000e+00  1.4130600000e+00  2.2488440000e+00 -4.5525900000e+00  7.0951300000e-01  2.1977160000e+00 -3.9055660000e+00  1.4676790000e+00  1.3658280000e+00 -4.9180100000e+00
-ENERGY -1.526539795590e+02
-FORCES  1.0803000000e-03  2.9226000000e-03 -3.5583000000e-03 -4.6210000000e-04 -3.8892000000e-03 -1.5500000000e-04 -6.2130000000e-04  9.6870000000e-04  3.6968000000e-03 -2.6418000000e-03 -3.7835000000e-03  1.0468000000e-03  2.8797000000e-03  1.8120000000e-04 -2.5764000000e-03 -2.3480000000e-04  3.6002000000e-03  1.5462000000e-03
-
-JOB 83
-COORDS  1.6176160000e+00 -1.0314100000e+00 -5.0887170000e+00  1.4877580000e+00 -1.6011030000e+00 -5.8468840000e+00  9.0216700000e-01 -1.2565540000e+00 -4.4940120000e+00 -1.5666680000e+00  1.0361910000e+00  5.1589180000e+00 -8.5798100000e-01  1.4698240000e+00  4.6835680000e+00 -2.3517360000e+00  1.2266360000e+00  4.6454690000e+00
-ENERGY -1.526540897879e+02
-FORCES -3.4175000000e-03 -3.2951000000e-03 -7.0450000000e-04  5.1750000000e-04  2.3378000000e-03  3.1010000000e-03  2.9038000000e-03  9.6220000000e-04 -2.3988000000e-03 -2.7900000000e-04  2.5874000000e-03 -4.0092000000e-03 -2.9152000000e-03 -1.7887000000e-03  1.9324000000e-03  3.1903000000e-03 -8.0370000000e-04  2.0792000000e-03
-
-JOB 84
-COORDS -1.0329500000e-01 -2.7042700000e-01  5.4283480000e+00  7.6183900000e-01 -8.9063000000e-02  5.7956100000e+00 -4.9549300000e-01 -8.9720900000e-01  6.0362610000e+00  1.0681900000e-01  2.5586100000e-01 -5.5228510000e+00 -4.8161700000e-01  5.9579000000e-02 -4.7938460000e+00  1.2585300000e-01  1.2119350000e+00 -5.5651760000e+00
-ENERGY -1.526541630240e+02
-FORCES  1.9501000000e-03 -1.8386000000e-03  4.0048000000e-03 -3.5367000000e-03 -7.2810000000e-04 -1.5049000000e-03  1.5903000000e-03  2.5633000000e-03 -2.4871000000e-03 -2.3229000000e-03  3.0948000000e-03  2.8805000000e-03  2.3899000000e-03  7.9580000000e-04 -3.0251000000e-03 -7.0700000000e-05 -3.8873000000e-03  1.3180000000e-04
-
-JOB 85
-COORDS -3.6575600000e+00  4.8457640000e+00 -3.3834490000e+00 -3.8066840000e+00  4.1379490000e+00 -4.0103400000e+00 -2.7067460000e+00  4.9548120000e+00 -3.3663170000e+00  3.6150840000e+00 -4.7981660000e+00  3.4833420000e+00  3.6379760000e+00 -4.1892870000e+00  2.7451190000e+00  3.5948520000e+00 -5.6653640000e+00  3.0786330000e+00
-ENERGY -1.526540380475e+02
-FORCES  3.2581000000e-03 -2.4231000000e-03 -2.4832000000e-03  6.1840000000e-04  2.8792000000e-03  2.5591000000e-03 -3.8747000000e-03 -4.5920000000e-04 -7.3700000000e-05  6.9000000000e-06 -1.0626000000e-03 -4.6434000000e-03 -9.2500000000e-05 -2.4795000000e-03  2.9995000000e-03  8.3800000000e-05  3.5453000000e-03  1.6418000000e-03
-
-JOB 86
-COORDS -8.1405490000e+00  3.4136690000e+00 -7.7550900000e-01 -7.9787260000e+00  4.3563690000e+00 -7.3859100000e-01 -7.6277520000e+00  3.0536250000e+00 -5.1880000000e-02  8.1139160000e+00 -3.4230850000e+00  6.6878400000e-01  7.2691190000e+00 -3.7862890000e+00  9.3455300000e-01  8.6619510000e+00 -3.4933750000e+00  1.4504160000e+00
-ENERGY -1.526540695668e+02
-FORCES  2.7561000000e-03  2.3828000000e-03  3.0923000000e-03 -6.6240000000e-04 -3.8476000000e-03 -1.4530000000e-04 -2.0935000000e-03  1.4644000000e-03 -2.9466000000e-03 -1.2042000000e-03 -1.7815000000e-03  4.2650000000e-03  3.4434000000e-03  1.4896000000e-03 -1.0795000000e-03 -2.2395000000e-03  2.9230000000e-04 -3.1859000000e-03
-
-JOB 87
-COORDS  8.4888290000e+00  5.3471120000e+00  1.3849110000e+00  8.3628850000e+00  4.4311030000e+00  1.1373270000e+00  9.2095850000e+00  5.6483120000e+00  8.3171800000e-01 -8.5362690000e+00 -5.2547620000e+00 -1.3020440000e+00 -7.7069010000e+00 -5.4978360000e+00 -1.7135010000e+00 -9.1343360000e+00 -5.9669870000e+00 -1.5285040000e+00
-ENERGY -1.526540639235e+02
-FORCES  2.4201000000e-03 -2.5060000000e-03 -3.2646000000e-03  5.1770000000e-04  3.7355000000e-03  1.0083000000e-03 -2.9384000000e-03 -1.2301000000e-03  2.2561000000e-03  9.4060000000e-04 -3.8939000000e-03 -2.5987000000e-03 -3.3816000000e-03  9.9000000000e-04  1.6767000000e-03  2.4416000000e-03  2.9044000000e-03  9.2230000000e-04
-
-JOB 88
-COORDS  1.0590259000e+01  3.5753880000e+00 -3.5520080000e+00  9.7799300000e+00  3.5231260000e+00 -3.0451870000e+00  1.0859720000e+01  4.4910510000e+00 -3.4800070000e+00 -1.0532002000e+01 -3.5755540000e+00  3.4847890000e+00 -1.0247615000e+01 -4.4581220000e+00  3.7223390000e+00 -1.1379516000e+01 -3.4719060000e+00  3.9174650000e+00
-ENERGY -1.526540806925e+02
-FORCES -2.2142000000e-03  3.5208000000e-03  2.3603000000e-03  3.3098000000e-03  2.1400000000e-04 -2.0665000000e-03 -1.0952000000e-03 -3.7345000000e-03 -2.9370000000e-04 -2.2995000000e-03 -3.1815000000e-03  2.7315000000e-03 -1.1590000000e-03  3.6020000000e-03 -9.6770000000e-04  3.4581000000e-03 -4.2080000000e-04 -1.7639000000e-03
-
-JOB 89
-COORDS  1.1699523000e+01  1.3105960000e+00 -4.5461600000e-01  1.2191955000e+01  1.5299780000e+00 -1.2455740000e+00  1.1153816000e+01  2.0797110000e+00 -2.9060900000e-01 -1.1756909000e+01 -1.3694110000e+00  4.9731200000e-01 -1.1140375000e+01 -1.8487560000e+00  1.0507980000e+00 -1.1203895000e+01 -9.0033800000e-01 -1.2749000000e-01
-ENERGY -1.526540761028e+02
-FORCES -2.0680000000e-04  4.0342000000e-03 -2.5564000000e-03 -2.0133000000e-03 -8.9530000000e-04  3.2260000000e-03  2.2202000000e-03 -3.1393000000e-03 -6.6940000000e-04  4.7715000000e-03 -4.6500000000e-05 -2.8920000000e-04 -2.5154000000e-03  1.9576000000e-03 -2.2586000000e-03 -2.2563000000e-03 -1.9108000000e-03  2.5477000000e-03
-
-JOB 0
-COORDS  1.2006240000e+00 -3.4303500000e-01 -3.9081100000e-01  3.6947000000e-01 -1.1771700000e-01  2.7097000000e-02  1.1645400000e+00 -1.2933130000e+00 -4.9990800000e-01 -1.0980940000e+00  3.4935700000e-01  3.3799000000e-01 -1.0784830000e+00  1.2803060000e+00  5.5975700000e-01 -1.9371580000e+00  3.9153000000e-02  6.7854300000e-01
-ENERGY -1.526542534045e+02
-FORCES -2.3355500000e-02  3.2273000000e-03  6.5912000000e-03  4.7142000000e-03  3.7382000000e-03 -5.2880000000e-04 -1.2117000000e-03  2.1196000000e-03  7.6430000000e-04  1.6516500000e-02 -6.4093000000e-03 -4.3394000000e-03 -2.7050000000e-04 -6.2367000000e-03 -5.3120000000e-04  3.6069000000e-03  3.5609000000e-03 -1.9561000000e-03
-
-JOB 1
-COORDS -1.0989680000e+00  3.7067100000e-01  6.4480300000e-01 -1.5754440000e+00 -4.5262600000e-01  5.3810500000e-01 -2.5002000000e-01  2.1185000000e-01  2.3213600000e-01  1.0585120000e+00 -2.4944400000e-01 -6.2939300000e-01  9.2648400000e-01 -1.0663540000e+00 -1.1104950000e+00  1.5362190000e+00 -5.0935000000e-01  1.5831100000e-01
-ENERGY -1.526545067991e+02
-FORCES  1.8213000000e-02 -6.7209000000e-03 -1.4310000000e-02  2.3754000000e-03  1.3356000000e-03 -3.6790000000e-04 -2.8651000000e-03  3.2160000000e-04  9.3383000000e-03 -1.0672700000e-02 -1.1343000000e-03  4.7482000000e-03  4.3030000000e-04  3.9995000000e-03  4.0857000000e-03 -7.4809000000e-03  2.1985000000e-03 -3.4944000000e-03
-
-JOB 2
-COORDS  1.0057930000e+00  3.4337200000e-01 -7.9303200000e-01  2.1182300000e-01 -2.2586000000e-02 -4.0326400000e-01  8.0516000000e-01  4.1224100000e-01 -1.7264320000e+00 -9.5316100000e-01 -2.6378300000e-01  7.9579300000e-01 -4.6805000000e-01 -4.4154500000e-01  1.6015840000e+00 -1.3104260000e+00 -1.1136630000e+00  5.3830900000e-01
-ENERGY -1.526570106560e+02
-FORCES -1.5897100000e-02 -2.8707000000e-03  1.1285800000e-02  7.4020000000e-03 -2.1767000000e-03 -7.4829000000e-03 -2.1236000000e-03 -1.5450000000e-03  3.7478000000e-03  8.9434000000e-03  1.2281000000e-03 -1.0750000000e-03 -3.1958000000e-03 -9.4400000000e-05 -5.2033000000e-03  4.8711000000e-03  5.4588000000e-03 -1.2724000000e-03
-
-JOB 3
-COORDS  7.1902100000e-01  9.5718800000e-01 -6.0758700000e-01  7.2975000000e-01  1.0801950000e+00 -1.5567890000e+00  3.4044000000e-02  3.0558100000e-01 -4.5776100000e-01 -6.9087300000e-01 -9.0362200000e-01  5.8657000000e-01 -1.0512510000e+00 -5.3208200000e-01  1.3917520000e+00 -1.2980000000e-01 -1.6202260000e+00  8.8306200000e-01
-ENERGY -1.526594960445e+02
-FORCES -8.8811000000e-03 -1.1154700000e-02  6.2757000000e-03 -1.6437000000e-03 -2.7963000000e-03  3.3267000000e-03  3.9672000000e-03  7.5713000000e-03 -5.7422000000e-03  8.1811000000e-03  5.9904000000e-03  7.6200000000e-05  2.0877000000e-03 -2.6428000000e-03 -3.6524000000e-03 -3.7113000000e-03  3.0321000000e-03 -2.8400000000e-04
-
-JOB 4
-COORDS  5.7367300000e-01 -1.2830000000e-03  1.1254590000e+00  1.4386730000e+00 -2.6156300000e-01  1.4420990000e+00 -3.9426000000e-02 -4.2874200000e-01  1.7234720000e+00 -6.3322500000e-01  3.8612000000e-02 -1.2310800000e+00  3.0041400000e-01 -1.7203600000e-01 -1.2443810000e+00 -7.9615300000e-01  3.5079800000e-01 -3.4100900000e-01
-ENERGY -1.526540099679e+02
-FORCES -2.8823000000e-03 -2.6484000000e-03 -4.4341000000e-03 -4.2533000000e-03  2.0030000000e-04 -2.4980000000e-03  2.0239000000e-03  3.3850000000e-03 -4.0615000000e-03  1.1456600000e-02 -3.4400000000e-05  1.4904900000e-02 -5.3520000000e-04 -5.7400000000e-04 -4.6012000000e-03 -5.8098000000e-03 -3.2840000000e-04  6.8980000000e-04
-
-JOB 5
-COORDS -8.2560000000e-03 -8.4002300000e-01 -9.3883900000e-01  1.3556500000e-01 -6.9304500000e-01 -1.8736890000e+00  2.0559000000e-02 -1.7914900000e+00 -8.3827300000e-01 -4.8911000000e-02  9.4317200000e-01  1.0066070000e+00  8.4419900000e-01  7.7121100000e-01  1.3049640000e+00 -2.1826300000e-01  2.6495300000e-01  3.5271800000e-01
-ENERGY -1.526586772023e+02
-FORCES  9.5600000000e-05  6.4692000000e-03  4.6431000000e-03 -2.7350000000e-04 -3.1105000000e-03  4.3274000000e-03  6.9920000000e-04  5.0014000000e-03 -1.4740000000e-03  3.0261000000e-03 -1.2123800000e-02 -1.2709200000e-02 -2.0290000000e-03  3.2320000000e-04 -2.8460000000e-04 -1.5184000000e-03  3.4404000000e-03  5.4973000000e-03
-
-JOB 6
-COORDS -6.3366600000e-01 -3.1628000000e-02 -1.1961470000e+00 -3.9560200000e-01 -2.9353300000e-01 -3.0678600000e-01 -4.7405500000e-01 -8.1200000000e-01 -1.7269740000e+00  5.9986700000e-01  2.3308000000e-02  1.1609000000e+00  1.0942220000e+00  6.4763500000e-01  6.2980600000e-01  3.2034000000e-01  5.2699800000e-01  1.9253560000e+00
-ENERGY -1.526603571742e+02
-FORCES  3.9335000000e-03 -3.0319000000e-03  1.2770200000e-02 -8.9650000000e-04  1.7064000000e-03 -1.0021600000e-02  7.0500000000e-04  2.1390000000e-03  3.2899000000e-03 -1.8841000000e-03  4.8235000000e-03 -4.9617000000e-03 -3.7672000000e-03 -4.1774000000e-03  3.2028000000e-03  1.9094000000e-03 -1.4596000000e-03 -4.2797000000e-03
-
-JOB 7
-COORDS -1.0889820000e+00  8.4988000000e-01  5.0956000000e-02 -5.3931900000e-01  1.6327600000e+00  8.5636000000e-02 -4.7095700000e-01  1.2747200000e-01 -6.0415000000e-02  9.6399300000e-01 -8.8314100000e-01 -2.3465000000e-02  1.2236350000e+00 -7.3707200000e-01 -9.3312600000e-01  1.6795300000e+00 -5.1214600000e-01  4.9286900000e-01
-ENERGY -1.526574560963e+02
-FORCES  1.4924000000e-02 -1.0339100000e-02  1.1128000000e-03 -6.3520000000e-04 -2.3222000000e-03 -2.2490000000e-04 -6.5555000000e-03  5.9448000000e-03 -4.1676000000e-03 -6.2890000000e-04  6.1097000000e-03  1.3357000000e-03 -3.5828000000e-03  1.7763000000e-03  5.9276000000e-03 -3.5215000000e-03 -1.1695000000e-03 -3.9836000000e-03
-
-JOB 8
-COORDS  9.2100000000e-04  1.2732590000e+00  5.3984400000e-01 -3.4587900000e-01  4.3666900000e-01  2.2988000000e-01  7.0408000000e-01  1.0328230000e+00  1.1431610000e+00 -5.3489000000e-02 -1.1821580000e+00 -5.1223100000e-01 -1.5952800000e-01 -2.0932450000e+00 -7.8592500000e-01  6.5102600000e-01 -8.4566600000e-01 -1.0660040000e+00
-ENERGY -1.526590060398e+02
-FORCES -1.1511000000e-03 -1.3732100000e-02 -4.8690000000e-04  3.1730000000e-03  6.2230000000e-03 -1.3590000000e-03 -1.0028000000e-03  1.2301000000e-03 -2.3852000000e-03  5.0210000000e-04  4.1569000000e-03  3.4890000000e-04  2.7107000000e-03  4.5213000000e-03  2.6470000000e-04 -4.2320000000e-03 -2.3991000000e-03  3.6176000000e-03
-
-JOB 9
-COORDS -1.0496350000e+00  6.9469700000e-01  3.2700000000e-01 -6.9640700000e-01  1.5160760000e+00  6.6875700000e-01 -1.5080140000e+00  3.0285400000e-01  1.0703570000e+00  1.0295420000e+00 -7.6658800000e-01 -4.3131800000e-01  5.0599900000e-01 -1.8419200000e-01  1.1909100000e-01  1.9365420000e+00 -5.4334100000e-01 -2.2216500000e-01
-ENERGY -1.526561593744e+02
-FORCES  5.6690000000e-04 -1.3846000000e-03 -1.8280000000e-04  1.2430000000e-03 -7.0816000000e-03 -1.5821000000e-03  4.4604000000e-03  2.0326000000e-03 -3.9549000000e-03 -1.1673300000e-02  8.1171000000e-03  3.9612000000e-03  1.0186500000e-02 -3.4133000000e-03  1.1470000000e-03 -4.7835000000e-03  1.7299000000e-03  6.1160000000e-04
-
-JOB 10
-COORDS -1.2209240000e+00  4.3669100000e-01 -4.1157800000e-01 -1.5104590000e+00  1.3213490000e+00 -1.8845900000e-01 -3.1924200000e-01  3.9190100000e-01 -9.3466000000e-02  1.1434260000e+00 -4.2441100000e-01  3.7274600000e-01  2.0069100000e+00 -5.3346400000e-01 -2.5669000000e-02  1.0437500000e+00 -1.1873680000e+00  9.4212600000e-01
-ENERGY -1.526597623114e+02
-FORCES  1.3237100000e-02 -3.4367000000e-03  3.8931000000e-03  3.0984000000e-03 -2.6971000000e-03  9.9500000000e-05 -8.2765000000e-03  3.8822000000e-03 -8.6370000000e-04 -6.9049000000e-03 -3.9240000000e-04 -3.1792000000e-03 -3.6736000000e-03 -8.3980000000e-04  2.9559000000e-03  2.5195000000e-03  3.4838000000e-03 -2.9056000000e-03
-
-JOB 11
-COORDS  6.7418200000e-01 -4.2458900000e-01 -9.9642100000e-01  9.5727900000e-01  1.2629400000e-01 -1.7262260000e+00  3.8575800000e-01 -1.2390640000e+00 -1.4083350000e+00 -7.0555300000e-01  3.9507500000e-01  1.1028380000e+00 -5.8187100000e-01  1.3226020000e+00  1.3044020000e+00 -2.6618900000e-01  2.7167100000e-01  2.6143400000e-01
-ENERGY -1.526589206190e+02
-FORCES -5.0037000000e-03 -1.1300000000e-05  3.9165000000e-03 -2.1666000000e-03 -2.7825000000e-03  4.0453000000e-03  2.2818000000e-03  4.9349000000e-03  7.8380000000e-04  9.4477000000e-03 -4.0681000000e-03 -1.2876100000e-02  8.4370000000e-04 -2.5828000000e-03 -2.5908000000e-03 -5.4030000000e-03  4.5097000000e-03  6.7213000000e-03
-
-JOB 12
-COORDS  7.4039200000e-01 -1.0299030000e+00  3.7549400000e-01  3.8390100000e-01 -1.8970380000e+00  5.6842600000e-01  9.8029200000e-01 -1.0696010000e+00 -5.5030500000e-01 -7.9875600000e-01  1.0931650000e+00 -3.5094600000e-01 -9.9750000000e-03  1.5643690000e+00 -6.1931800000e-01 -4.8281800000e-01  4.2015800000e-01  2.5194400000e-01
-ENERGY -1.526586964198e+02
-FORCES -3.0665000000e-03  6.3590000000e-04 -6.3997000000e-03  1.0072000000e-03  4.7339000000e-03 -1.5872000000e-03 -5.4110000000e-04  4.1300000000e-04  5.0830000000e-03  1.0283300000e-02 -9.4053000000e-03  6.1172000000e-03 -2.0749000000e-03 -2.0934000000e-03 -6.6980000000e-04 -5.6080000000e-03  5.7161000000e-03 -2.5435000000e-03
-
-JOB 13
-COORDS  1.1842620000e+00  2.5797500000e-01  5.8809000000e-01  1.3613460000e+00  2.0614000000e-02  1.4983280000e+00  4.7465200000e-01  8.9822000000e-01  6.4072900000e-01 -1.1894220000e+00 -2.5903000000e-01 -6.9727500000e-01 -2.4826600000e-01 -4.3064600000e-01 -6.6557700000e-01 -1.5094510000e+00 -5.1581900000e-01  1.6752100000e-01
-ENERGY -1.526576148373e+02
-FORCES -5.4949000000e-03  2.0026000000e-03  1.4929000000e-03 -2.6506000000e-03  1.3928000000e-03 -3.9567000000e-03  3.3498000000e-03 -5.7586000000e-03 -6.4000000000e-06  1.0186100000e-02 -4.0888000000e-03  6.6056000000e-03 -6.0520000000e-03  3.5702000000e-03 -2.2071000000e-03  6.6160000000e-04  2.8818000000e-03 -1.9284000000e-03
-
-JOB 14
-COORDS -9.8795400000e-01  8.6573800000e-01 -1.1547100000e-01 -1.3624340000e+00  1.1408660000e+00 -9.5231100000e-01 -4.2059800000e-01  1.5917530000e+00  1.4383800000e-01  1.0314990000e+00 -9.1813800000e-01  1.0458400000e-01  8.6930500000e-01 -1.6017820000e+00  7.5462700000e-01  2.8042600000e-01 -3.2987300000e-01  1.8246800000e-01
-ENERGY -1.526596639423e+02
-FORCES  3.8891000000e-03 -1.5648000000e-03 -4.8133000000e-03  1.5687000000e-03  6.3960000000e-04  4.7272000000e-03 -1.6875000000e-03 -6.4984000000e-03 -1.5215000000e-03 -1.2480100000e-02  6.6040000000e-03 -1.0034000000e-03 -8.6700000000e-04  2.9007000000e-03 -1.7880000000e-03  9.5769000000e-03 -2.0811000000e-03  4.3990000000e-03
-
-JOB 15
-COORDS  4.5717200000e-01  1.0217130000e+00  6.4039200000e-01  5.0337100000e-01  1.9577980000e+00  8.3492200000e-01  1.3585980000e+00  7.1289600000e-01  7.3147000000e-01 -5.0468800000e-01 -1.1157880000e+00 -6.1706700000e-01 -4.5761100000e-01 -2.0444300000e-01 -3.2816300000e-01 -6.7830600000e-01 -1.0609800000e+00 -1.5567930000e+00
-ENERGY -1.526600493678e+02
-FORCES  1.4454000000e-03 -4.9256000000e-03 -1.9475000000e-03  1.1730000000e-03 -4.6118000000e-03 -1.0271000000e-03 -4.0354000000e-03  3.9342000000e-03  1.0460000000e-04  2.6537000000e-03  1.1530100000e-02  4.1491000000e-03 -2.2119000000e-03 -7.3304000000e-03 -4.4629000000e-03  9.7510000000e-04  1.4034000000e-03  3.1837000000e-03
-
-JOB 16
-COORDS -8.7032200000e-01 -9.0982700000e-01 -4.0554700000e-01 -1.0947010000e+00 -1.8323050000e+00 -5.2769700000e-01 -1.0110580000e+00 -7.5015000000e-01  5.2768900000e-01  8.8751800000e-01  1.0068430000e+00  3.9142300000e-01  1.8229700000e-01  5.0735200000e-01 -2.0163000000e-02  1.6850660000e+00  5.3001400000e-01  1.6167800000e-01
-ENERGY -1.526563121453e+02
-FORCES  3.4585000000e-03  2.1200000000e-05  3.0244000000e-03  6.8260000000e-04  4.0257000000e-03  2.2597000000e-03  3.8262000000e-03  2.7296000000e-03 -7.3654000000e-03 -2.8797000000e-03 -1.0254900000e-02 -8.3099000000e-03 -3.6149000000e-03  1.5677000000e-03  8.9906000000e-03 -1.4729000000e-03  1.9107000000e-03  1.4006000000e-03
-
-JOB 17
-COORDS  6.0608900000e-01 -1.2809620000e+00 -8.0997000000e-02  1.1187370000e+00 -7.4306400000e-01 -6.8439500000e-01  1.7019200000e-01 -6.5001200000e-01  4.9182700000e-01 -5.5232600000e-01  1.2365600000e+00  5.5441000000e-02 -7.5440700000e-01  1.1184810000e+00  9.8358600000e-01 -1.3319840000e+00  9.2156900000e-01 -4.0188400000e-01
-ENERGY -1.526539676250e+02
-FORCES -2.2523000000e-03  1.5967400000e-02 -1.9334000000e-03  1.2520000000e-04 -4.3424000000e-03  2.0350000000e-04 -2.5805000000e-03 -3.6048000000e-03  5.0665000000e-03 -3.2142000000e-03 -4.7891000000e-03 -9.3770000000e-04  3.6334000000e-03 -4.5819000000e-03 -5.4252000000e-03  4.2885000000e-03  1.3508000000e-03  3.0262000000e-03
-
-JOB 18
-COORDS -7.0715700000e-01 -9.6170800000e-01 -5.5457200000e-01 -1.3988110000e+00 -1.5850020000e+00 -3.3242100000e-01 -1.0078610000e+00 -5.4781700000e-01 -1.3635860000e+00  8.1994400000e-01  9.8120200000e-01  6.0134200000e-01  3.4622900000e-01  2.5208700000e-01  2.0107000000e-01  1.6265900000e-01  1.6703280000e+00  6.9784800000e-01
-ENERGY -1.526595508088e+02
-FORCES -9.1300000000e-05  2.0062000000e-03  2.5085000000e-03  2.2978000000e-03  3.3358000000e-03 -3.1020000000e-03  1.1463000000e-03 -1.3851000000e-03  5.4307000000e-03 -9.8584000000e-03 -9.4204000000e-03 -3.7562000000e-03  5.0600000000e-03  7.4005000000e-03 -7.1100000000e-05  1.4457000000e-03 -1.9372000000e-03 -1.0098000000e-03
-
-JOB 19
-COORDS  5.1605100000e-01  3.5669100000e-01  1.1737400000e+00  1.4555990000e+00  3.5060900000e-01  9.9086100000e-01  4.2460800000e-01 -1.5564800000e-01  1.9770950000e+00 -6.2325700000e-01 -3.6004900000e-01 -1.2253890000e+00  1.7681600000e-01 -3.3617300000e-01 -1.7503130000e+00 -3.9725200000e-01  1.0866400000e-01 -4.2198300000e-01
-ENERGY -1.526587003039e+02
-FORCES  1.2240000000e-04 -5.6952000000e-03 -1.9778000000e-03 -4.7746000000e-03 -3.3210000000e-04  2.4060000000e-04  2.0074000000e-03  2.8260000000e-03 -3.3465000000e-03  7.2568000000e-03  3.8474000000e-03  1.1499100000e-02 -1.5426000000e-03 -6.8000000000e-06  2.0803000000e-03 -3.0693000000e-03 -6.3930000000e-04 -8.4957000000e-03
-
-JOB 20
-COORDS -1.0356200000e-01 -8.1875200000e-01  1.1359380000e+00 -2.0923800000e-01 -3.0922400000e-01  3.3254200000e-01 -9.8261500000e-01 -8.5780100000e-01  1.5127310000e+00  1.2429900000e-01  7.8761600000e-01 -1.0612190000e+00 -4.6620000000e-03  3.8547300000e-01 -1.9202190000e+00  9.6883600000e-01  1.2330150000e+00 -1.1291010000e+00
-ENERGY -1.526610767880e+02
-FORCES -4.9760000000e-04  8.4814000000e-03 -9.9201000000e-03 -2.5139000000e-03 -7.2462000000e-03  7.5731000000e-03  2.2364000000e-03  8.8040000000e-04 -2.6533000000e-03  4.2675000000e-03 -1.8960000000e-03  1.9633000000e-03  9.3350000000e-04  1.8411000000e-03  4.7045000000e-03 -4.4258000000e-03 -2.0607000000e-03 -1.6675000000e-03
-
-JOB 21
-COORDS  6.6572400000e-01 -1.2255730000e+00  1.4034100000e-01  3.7395800000e-01 -3.2579800000e-01  2.8700400000e-01  1.3015260000e+00 -1.3882840000e+00  8.3712800000e-01 -6.3908500000e-01  1.1588190000e+00 -1.3794000000e-01 -1.5040750000e+00  8.3787300000e-01 -3.9292800000e-01 -4.8821300000e-01  1.9167170000e+00 -7.0279500000e-01
-ENERGY -1.526610167803e+02
-FORCES -3.5600000000e-03  1.0596000000e-02  1.0740000000e-04  3.3143000000e-03 -9.4361000000e-03  2.6734000000e-03 -2.2257000000e-03  2.4069000000e-03 -2.0332000000e-03  3.7370000000e-04 -3.0930000000e-03 -4.0248000000e-03  4.3335000000e-03  2.6717000000e-03  9.7720000000e-04 -2.2356000000e-03 -3.1455000000e-03  2.3000000000e-03
-
-JOB 22
-COORDS  8.0561800000e-01  7.5836900000e-01  7.2747100000e-01  1.6564180000e+00  6.0767700000e-01  3.1556800000e-01  1.0165800000e+00  1.1127360000e+00  1.5912710000e+00 -8.6022500000e-01 -8.3237600000e-01 -7.7332000000e-01 -1.3212770000e+00 -1.1571100000e-01 -1.2092710000e+00 -4.5822700000e-01 -4.2694300000e-01 -5.0400000000e-03
-ENERGY -1.526607184442e+02
-FORCES  1.9628000000e-03 -1.9307000000e-03 -1.9994000000e-03 -3.7818000000e-03  1.5672000000e-03  3.5080000000e-03 -2.0150000000e-04 -1.6621000000e-03 -4.6765000000e-03  5.1480000000e-03  9.9587000000e-03  6.8716000000e-03  1.0945000000e-03 -2.2469000000e-03  6.9570000000e-04 -4.2220000000e-03 -5.6862000000e-03 -4.3995000000e-03
-
-JOB 23
-COORDS -1.2330720000e+00  5.1957900000e-01 -5.4981200000e-01 -3.1089800000e-01  4.7393800000e-01 -2.9733900000e-01 -1.7125350000e+00  3.9982000000e-01  2.6994700000e-01  1.1725050000e+00 -4.9932100000e-01  4.3247600000e-01  8.7669400000e-01 -7.8006200000e-01  1.2984510000e+00  2.1202430000e+00 -4.0024100000e-01  5.2306900000e-01
-ENERGY -1.526586234675e+02
-FORCES  9.7626000000e-03 -3.9213000000e-03  5.2977000000e-03 -7.9565000000e-03  3.5637000000e-03 -1.5213000000e-03  1.9142000000e-03 -2.7340000000e-04 -1.8523000000e-03  5.0400000000e-05 -9.2400000000e-04  2.0106000000e-03  1.1109000000e-03  2.6367000000e-03 -4.2608000000e-03 -4.8817000000e-03 -1.0817000000e-03  3.2620000000e-04
-
-JOB 24
-COORDS -6.1279000000e-01 -1.1789920000e+00  3.1295800000e-01 -3.9173900000e-01 -1.1559890000e+00  1.2439990000e+00 -1.5585530000e+00 -1.3253470000e+00  2.9439000000e-01  6.6595500000e-01  1.2515480000e+00 -4.0023000000e-01 -1.0314400000e-01  6.8198100000e-01 -3.8255400000e-01  1.3225920000e+00  7.8421900000e-01  1.1616400000e-01
-ENERGY -1.526580858298e+02
-FORCES -8.0490000000e-04 -2.7820000000e-04  3.9639000000e-03 -4.8070000000e-04  6.2740000000e-04 -5.1395000000e-03  4.9597000000e-03  2.2778000000e-03 -7.0000000000e-05 -3.6395000000e-03 -1.2991900000e-02  2.9193000000e-03  6.5270000000e-04  7.8192000000e-03 -1.6230000000e-03 -6.8740000000e-04  2.5457000000e-03 -5.0700000000e-05
-
-JOB 25
-COORDS  3.1240500000e-01  6.9385000000e-01  1.1857190000e+00  1.6485800000e-01  1.5649470000e+00  1.5540290000e+00  4.1179500000e-01  8.4443600000e-01  2.4567800000e-01 -3.1268000000e-01 -7.0303500000e-01 -1.2024250000e+00 -4.2703900000e-01 -1.6476380000e+00 -1.3067330000e+00 -1.4747400000e-01 -5.8311700000e-01 -2.6724700000e-01
-ENERGY -1.526553663553e+02
-FORCES -1.4375000000e-03  5.2330000000e-03 -2.6842000000e-03  1.5606000000e-03 -3.1702000000e-03 -2.0723000000e-03 -4.5412000000e-03 -1.0637900000e-02  4.1888000000e-03 -8.2060000000e-04 -3.6213000000e-03  5.9623000000e-03  8.2000000000e-06  3.3674000000e-03  1.0580000000e-03  5.2304000000e-03  8.8291000000e-03 -6.4526000000e-03
-
-JOB 26
-COORDS -9.7555400000e-01  6.3939800000e-01  7.6230800000e-01 -1.7618840000e+00  9.4903000000e-02  8.0030500000e-01 -1.1657290000e+00  1.2886730000e+00  8.5175000000e-02  1.0505550000e+00 -7.0517200000e-01 -7.0428200000e-01  1.6000100000e-01 -3.6499200000e-01 -6.1812400000e-01  1.5264280000e+00 -1.6930000000e-02 -1.1691480000e+00
-ENERGY -1.526545988841e+02
-FORCES -2.5714000000e-03  1.1094000000e-03  1.0271000000e-03  5.3765000000e-03  2.1665000000e-03 -1.9654000000e-03  3.3838000000e-03 -6.0374000000e-03  1.1887000000e-03 -6.3867000000e-03  7.4585000000e-03  5.7702000000e-03  2.6434000000e-03 -2.9302000000e-03 -7.6173000000e-03 -2.4456000000e-03 -1.7668000000e-03  1.5966000000e-03
-
-JOB 27
-COORDS -2.0790000000e-02 -7.9925800000e-01  1.2272370000e+00 -1.7981100000e-01 -3.5049600000e-01  3.9684100000e-01 -2.7370200000e-01 -1.6300100000e-01  1.8961500000e+00  6.1230000000e-02  7.1114900000e-01 -1.1631310000e+00 -6.1971700000e-01  1.3752500000e+00 -1.2704260000e+00  3.9489100000e-01  5.6437200000e-01 -2.0482060000e+00
-ENERGY -1.526600747783e+02
-FORCES  6.5330000000e-04  7.4383000000e-03 -8.0721000000e-03 -2.6027000000e-03 -3.9998000000e-03  8.4551000000e-03  2.4240000000e-04 -1.3905000000e-03 -2.5682000000e-03  7.0410000000e-04 -6.2520000000e-04 -2.4888000000e-03  3.3299000000e-03 -3.7195000000e-03  1.0832000000e-03 -2.3271000000e-03  2.2967000000e-03  3.5909000000e-03
-
-JOB 28
-COORDS  5.5889600000e-01 -1.2565270000e+00  4.9346700000e-01 -4.5545000000e-02 -1.5729780000e+00  1.1648400000e+00  2.5484500000e-01 -3.7086000000e-01  2.9502800000e-01 -5.0041800000e-01  1.2036710000e+00 -4.5151400000e-01  5.2128000000e-02  1.8109890000e+00 -9.4354000000e-01 -1.1649560000e+00  9.2102500000e-01 -1.0797910000e+00
-ENERGY -1.526618195887e+02
-FORCES -5.0336000000e-03  1.0088400000e-02 -1.0814000000e-03  1.0850000000e-03  1.3929000000e-03 -2.5785000000e-03  3.3301000000e-03 -9.8188000000e-03  3.2076000000e-03  4.4230000000e-04 -2.6740000000e-04 -4.5369000000e-03 -3.3939000000e-03 -3.1015000000e-03  1.7426000000e-03  3.5700000000e-03  1.7066000000e-03  3.2466000000e-03
-
-JOB 29
-COORDS -8.6203300000e-01  4.6202200000e-01 -1.1031210000e+00 -3.8405000000e-01  2.2759200000e-01 -3.0762900000e-01 -1.6659560000e+00  8.7455100000e-01 -7.8727300000e-01  8.1846300000e-01 -4.6357700000e-01  1.0249850000e+00  1.3198120000e+00 -9.9145000000e-02  1.7544160000e+00  1.4577310000e+00 -9.6963200000e-01  5.2351100000e-01
-ENERGY -1.526617336923e+02
-FORCES  3.1684000000e-03 -1.6555000000e-03  9.3690000000e-03 -5.2016000000e-03  1.7330000000e-03 -8.7390000000e-03  2.7215000000e-03 -1.0479000000e-03 -2.9160000000e-04  3.8254000000e-03  4.5890000000e-04 -1.3400000000e-05 -1.4488000000e-03 -2.7064000000e-03 -3.3092000000e-03 -3.0650000000e-03  3.2179000000e-03  2.9842000000e-03
-
-JOB 30
-COORDS -6.8250600000e-01  1.3168720000e+00 -1.4632000000e-02 -1.0790200000e-01  5.5140000000e-01 -2.5298000000e-02 -8.4785400000e-01  1.5057210000e+00 -9.3833500000e-01  6.5296000000e-01 -1.2144650000e+00  5.8097000000e-02  3.9481900000e-01 -1.6100880000e+00  8.9061000000e-01  9.7024800000e-01 -1.9483400000e+00 -4.6819900000e-01
-ENERGY -1.526610104099e+02
-FORCES  4.8266000000e-03 -8.6786000000e-03 -3.7076000000e-03 -4.2761000000e-03  7.8800000000e-03  2.2515000000e-03  5.5180000000e-04 -5.3920000000e-04  2.4809000000e-03 -1.1805000000e-03 -2.3314000000e-03  1.0970000000e-04  1.7358000000e-03  1.5104000000e-03 -4.5504000000e-03 -1.6576000000e-03  2.1588000000e-03  3.4159000000e-03
-
-JOB 31
-COORDS -1.2071190000e+00 -9.2369400000e-01  2.8976000000e-02 -1.0830320000e+00 -1.9854500000e-01 -5.8339000000e-01 -5.5572700000e-01 -7.7341400000e-01  7.1405800000e-01  1.1711740000e+00  8.2431000000e-01  1.7746000000e-02  9.0491800000e-01  1.7412730000e+00  8.4962000000e-02  1.2419880000e+00  6.6332500000e-01 -9.2315900000e-01
-ENERGY -1.526566604426e+02
-FORCES  9.1066000000e-03  7.3383000000e-03  1.6230000000e-03 -2.0255000000e-03 -1.8534000000e-03 -1.5041000000e-03 -4.9357000000e-03 -3.5723000000e-03 -5.5300000000e-05  3.9140000000e-04  2.0827000000e-03 -3.7322000000e-03 -1.0930000000e-04 -5.1017000000e-03 -8.1070000000e-04 -2.4275000000e-03  1.1064000000e-03  4.4792000000e-03
-
-JOB 32
-COORDS  1.1863160000e+00  6.7465400000e-01 -6.3754600000e-01  1.7530970000e+00  3.6549200000e-01  6.9144000000e-02  3.0353600000e-01  6.4180800000e-01 -2.6896400000e-01 -1.1268280000e+00 -6.2678400000e-01  5.6684400000e-01 -2.0289500000e+00 -3.1506800000e-01  6.3922400000e-01 -1.1485660000e+00 -1.5113880000e+00  9.3185800000e-01
-ENERGY -1.526589635545e+02
-FORCES -6.4716000000e-03 -5.4848000000e-03  6.8083000000e-03 -5.4920000000e-04  8.9250000000e-04 -2.4956000000e-03  4.4575000000e-03  5.7523000000e-03 -3.3610000000e-03 -9.9470000000e-04 -4.0354000000e-03  5.1850000000e-04  4.6751000000e-03 -1.2301000000e-03 -5.5130000000e-04 -1.1171000000e-03  4.1055000000e-03 -9.1900000000e-04
-
-JOB 33
-COORDS -4.6453200000e-01 -2.8024200000e-01  1.3070450000e+00 -7.7497000000e-01  1.3706800000e-01  2.1106070000e+00 -1.0331100000e+00 -1.0424190000e+00  1.1973330000e+00  4.6104700000e-01  2.9226600000e-01 -1.3815160000e+00  1.2574520000e+00  7.5639200000e-01 -1.6395030000e+00  6.5299800000e-01 -4.5855000000e-02 -5.0683800000e-01
-ENERGY -1.526587128225e+02
-FORCES -4.4451000000e-03  8.6600000000e-04  1.1975000000e-03  5.4230000000e-04 -2.4908000000e-03 -3.0528000000e-03  3.0876000000e-03  3.3373000000e-03  1.0181000000e-03  9.4720000000e-04  1.9590000000e-04  7.3430000000e-03 -2.8159000000e-03 -1.3220000000e-03  1.7913000000e-03  2.6838000000e-03 -5.8640000000e-04 -8.2971000000e-03
-
-JOB 34
-COORDS -1.2535730000e+00 -7.3123800000e-01 -4.0281700000e-01 -1.7557850000e+00 -1.1008940000e+00  3.2338500000e-01 -4.3201000000e-01 -4.4367400000e-01 -4.6040000000e-03  1.1932190000e+00  7.3177800000e-01  3.8517400000e-01  1.8986040000e+00  1.2148400000e-01  1.7022200000e-01  1.2591050000e+00  1.4181650000e+00 -2.7872700000e-01
-ENERGY -1.526613293810e+02
-FORCES  5.7731000000e-03  3.9632000000e-03  5.5599000000e-03  2.3132000000e-03  1.2922000000e-03 -1.9987000000e-03 -7.3201000000e-03 -7.2304000000e-03 -3.5584000000e-03  3.6829000000e-03  3.5142000000e-03 -4.1336000000e-03 -5.1405000000e-03  2.1707000000e-03  7.2040000000e-04  6.9130000000e-04 -3.7099000000e-03  3.4105000000e-03
-
-JOB 35
-COORDS  8.8037000000e-01 -1.6451000000e-01  1.2075930000e+00  1.1602890000e+00 -1.0603830000e+00  1.3954430000e+00  3.9554800000e-01 -2.3205700000e-01  3.8502700000e-01 -8.0882500000e-01  2.0272800000e-01 -1.1446990000e+00 -1.0583560000e+00 -3.4300000000e-04 -2.0462130000e+00 -1.5707960000e+00  6.5324500000e-01 -7.8046300000e-01
-ENERGY -1.526614097673e+02
-FORCES -3.2743000000e-03 -2.2185000000e-03 -7.2705000000e-03 -1.0833000000e-03  2.6871000000e-03 -1.1597000000e-03  4.0687000000e-03 -6.3660000000e-04  9.0488000000e-03 -2.9354000000e-03  1.2606000000e-03 -2.1115000000e-03 -2.5660000000e-04  1.5854000000e-03  4.0455000000e-03  3.4810000000e-03 -2.6780000000e-03 -2.5527000000e-03
-
-JOB 36
-COORDS  5.0898100000e-01 -5.5440500000e-01  1.2894100000e+00 -6.7078000000e-02  1.2424100000e-01  1.6413020000e+00  1.3167950000e+00 -9.1723000000e-02  1.0667130000e+00 -5.3212600000e-01  4.8583700000e-01 -1.3582450000e+00 -7.3335100000e-01  1.1862140000e+00 -7.3759100000e-01 -1.6254300000e-01 -2.1357100000e-01 -8.1929300000e-01
-ENERGY -1.526571713722e+02
-FORCES  1.5518000000e-03  5.0218000000e-03  3.2123000000e-03  2.4499000000e-03 -2.4739000000e-03 -3.6930000000e-03 -5.3434000000e-03 -2.2281000000e-03 -4.9320000000e-04  1.3554000000e-03 -3.2322000000e-03  8.8308000000e-03  9.1290000000e-04 -1.4700000000e-03 -1.3235000000e-03 -9.2660000000e-04  4.3823000000e-03 -6.5334000000e-03
-
-JOB 37
-COORDS -5.5690000000e-01 -9.3093900000e-01  9.7549200000e-01 -1.4203080000e+00 -5.2458100000e-01  9.0043800000e-01 -2.7276500000e-01 -7.2791900000e-01  1.8667170000e+00  6.2942100000e-01  8.6224700000e-01 -1.0732130000e+00  6.5967000000e-01  1.7918730000e+00 -8.4713400000e-01 -6.6041000000e-02  5.0368400000e-01 -5.2185300000e-01
-ENERGY -1.526559165308e+02
-FORCES -1.2890000000e-04 -1.6260000000e-04  5.7426000000e-03  6.8975000000e-03  1.0389000000e-03 -2.4950000000e-03 -2.2108000000e-03 -8.3090000000e-04 -4.2408000000e-03 -2.8885000000e-03 -2.9189000000e-03  6.5740000000e-03 -5.6140000000e-04 -3.8029000000e-03  1.4650000000e-04 -1.1079000000e-03  6.6764000000e-03 -5.7273000000e-03
-
-JOB 38
-COORDS -1.8108600000e-01  1.0165190000e+00  1.0816330000e+00 -3.2613000000e-01  4.0272700000e-01  1.8016710000e+00 -9.3734900000e-01  1.6026070000e+00  1.1098660000e+00  2.1506100000e-01 -1.0737500000e+00 -1.1523880000e+00  3.2552500000e-01 -9.6384400000e-01 -2.0795700000e-01  3.5838300000e-01 -1.9921400000e-01 -1.5141560000e+00
-ENERGY -1.526569677104e+02
-FORCES -5.3052000000e-03  8.5330000000e-04  2.5151000000e-03  1.3908000000e-03  1.3055000000e-03 -4.8073000000e-03  3.6239000000e-03 -2.2816000000e-03  2.7820000000e-04  2.2170000000e-04  9.0681000000e-03  5.3494000000e-03  3.2780000000e-04 -5.1181000000e-03 -1.5235000000e-03 -2.5900000000e-04 -3.8271000000e-03 -1.8119000000e-03
-
-JOB 39
-COORDS  1.4316460000e+00 -2.2922700000e-01 -4.9581800000e-01  1.6691590000e+00  4.6570400000e-01  1.1809700000e-01  1.4300420000e+00  1.9763100000e-01 -1.3525680000e+00 -1.4933890000e+00  1.2429500000e-01  5.4756700000e-01 -1.4648920000e+00  1.0715220000e+00  4.1273000000e-01 -7.3010200000e-01 -2.0839500000e-01  7.5400000000e-02
-ENERGY -1.526591065006e+02
-FORCES  5.2432000000e-03  4.3038000000e-03 -7.7360000000e-04 -2.5324000000e-03 -2.9857000000e-03 -3.7222000000e-03 -1.5336000000e-03 -1.6418000000e-03  4.8967000000e-03  6.8546000000e-03  4.4680000000e-04 -3.8469000000e-03  4.3650000000e-04 -2.9239000000e-03  6.0010000000e-04 -8.4682000000e-03  2.8008000000e-03  2.8459000000e-03
-
-JOB 40
-COORDS -1.0468880000e+00 -1.2066720000e+00 -9.5112000000e-02 -4.9385800000e-01 -1.8792460000e+00 -4.9264700000e-01 -4.5022300000e-01 -4.7962500000e-01  8.2722000000e-02  9.4319400000e-01  1.1539330000e+00  1.0582100000e-01  1.7562390000e+00  1.3094220000e+00  5.8646000000e-01  7.3480200000e-01  1.9988040000e+00 -2.9292300000e-01
-ENERGY -1.526613342339e+02
-FORCES  7.1267000000e-03  3.8099000000e-03 -5.7230000000e-04 -1.8811000000e-03  1.7087000000e-03  1.3532000000e-03 -6.4285000000e-03 -6.9590000000e-03 -6.6820000000e-04  2.6719000000e-03  4.8139000000e-03  3.6660000000e-04 -3.3997000000e-03  1.0430000000e-04 -2.7208000000e-03  1.9107000000e-03 -3.4778000000e-03  2.2415000000e-03
-
-JOB 41
-COORDS  9.9842500000e-01 -6.9750600000e-01 -8.9407000000e-01  1.9503110000e+00 -6.6943800000e-01 -7.9733000000e-01  8.5179100000e-01 -6.5241800000e-01 -1.8388960000e+00 -1.0456750000e+00  7.2393800000e-01  9.9839400000e-01 -3.4436100000e-01  1.9295000000e-01  6.2097800000e-01 -1.7456630000e+00  6.9565000000e-01  3.4612900000e-01
-ENERGY -1.526603849221e+02
-FORCES  3.8375000000e-03  4.4550000000e-04 -4.4986000000e-03 -4.3583000000e-03 -2.0670000000e-04 -9.9780000000e-04  1.1025000000e-03 -4.1150000000e-04  4.0845000000e-03  3.1243000000e-03 -4.2883000000e-03 -6.7736000000e-03 -5.3569000000e-03  3.9319000000e-03  6.0977000000e-03  1.6508000000e-03  5.2910000000e-04  2.0877000000e-03
-
-JOB 42
-COORDS  1.3654090000e+00  2.5118800000e-01  6.8442800000e-01  1.2469450000e+00 -2.5021300000e-01  1.4911460000e+00  1.5874770000e+00  1.1338210000e+00  9.8087000000e-01 -1.4018670000e+00 -2.4530900000e-01 -7.9002200000e-01 -5.1468000000e-01 -5.9921500000e-01 -8.5231800000e-01 -1.6735710000e+00 -4.3539600000e-01  1.0790600000e-01
-ENERGY -1.526563131918e+02
-FORCES  4.9020000000e-04  4.0630000000e-03  4.1456000000e-03 -7.7850000000e-04  1.7009000000e-03 -4.0712000000e-03 -3.7680000000e-04 -4.1828000000e-03 -4.3140000000e-04  6.8515000000e-03 -2.4680000000e-04  5.0960000000e-03 -5.9534000000e-03 -1.4935000000e-03 -1.9370000000e-03 -2.3310000000e-04  1.5920000000e-04 -2.8020000000e-03
-
-JOB 43
-COORDS -7.7459300000e-01  1.2975720000e+00 -4.3099700000e-01 -2.4501300000e-01  1.5768060000e+00  3.1586600000e-01 -1.5942170000e+00  1.7833600000e+00 -3.3902300000e-01  7.7396900000e-01 -1.4092740000e+00  3.9299900000e-01  8.1329200000e-01 -7.4197700000e-01  1.0781270000e+00  1.0306330000e+00 -9.4851600000e-01 -4.0578700000e-01
-ENERGY -1.526534036997e+02
-FORCES -2.9376000000e-03  2.7955000000e-03  3.3769000000e-03 -8.3440000000e-04 -2.6298000000e-03 -2.9277000000e-03  3.6702000000e-03 -2.0015000000e-03 -1.8100000000e-04 -1.8419000000e-03  6.3497000000e-03 -2.5428000000e-03  5.9080000000e-04 -1.6444000000e-03 -1.6413000000e-03  1.3529000000e-03 -2.8694000000e-03  3.9160000000e-03
-
-JOB 44
-COORDS  7.3495200000e-01 -9.4839400000e-01 -1.1332440000e+00  1.2274000000e-01 -4.5117500000e-01 -5.9084000000e-01  8.0309600000e-01 -1.7991770000e+00 -6.9993600000e-01 -7.1135000000e-01  9.1233700000e-01  1.0397690000e+00 -1.2528480000e+00  1.2615290000e+00  1.7476370000e+00 -5.3210000000e-03  1.5509770000e+00  9.4030100000e-01
-ENERGY -1.526600884191e+02
-FORCES -4.2836000000e-03 -5.9550000000e-04  5.8064000000e-03  5.6616000000e-03 -2.6159000000e-03 -5.5534000000e-03  9.3700000000e-05  2.5550000000e-03 -1.8744000000e-03 -8.0500000000e-04  4.7454000000e-03  4.0752000000e-03  3.0703000000e-03 -5.9550000000e-04 -2.6157000000e-03 -3.7370000000e-03 -3.4935000000e-03  1.6200000000e-04
-
-JOB 45
-COORDS  3.8787800000e-01  1.3529870000e+00 -8.7236600000e-01 -3.0591000000e-02  1.4266770000e+00 -1.7300860000e+00  2.9014900000e-01  4.3056300000e-01 -6.3611300000e-01 -3.3569200000e-01 -1.2536970000e+00  9.2979900000e-01 -1.2194080000e+00 -1.4033810000e+00  5.9383200000e-01  1.0519800000e-01 -2.0974000000e+00  8.2974100000e-01
-ENERGY -1.526582918848e+02
-FORCES -1.6526000000e-03 -5.2212000000e-03  5.9420000000e-04  1.0802000000e-03 -8.7750000000e-04  3.3942000000e-03  8.4010000000e-04  6.7147000000e-03 -6.1676000000e-03 -3.0831000000e-03 -6.0493000000e-03  2.2155000000e-03  5.0308000000e-03  1.0818000000e-03  2.0260000000e-04 -2.2155000000e-03  4.3514000000e-03 -2.3880000000e-04
-
-JOB 46
-COORDS -7.7365400000e-01 -4.2488000000e-02 -1.4678060000e+00 -2.2133900000e-01 -4.4346700000e-01 -2.1389210000e+00 -1.7440900000e-01  1.4783600000e-01 -7.4606300000e-01  7.0977100000e-01  1.0340700000e-01  1.4226110000e+00  5.8901600000e-01  1.5530200000e-01  2.3707440000e+00  8.0296200000e-01 -8.3223900000e-01  1.2434090000e+00
-ENERGY -1.526584201320e+02
-FORCES  4.5369000000e-03  1.5892000000e-03  2.1904000000e-03 -1.8068000000e-03  9.6000000000e-04  3.1758000000e-03 -2.6827000000e-03 -3.8319000000e-03 -7.1491000000e-03 -8.5030000000e-04 -2.7772000000e-03  6.4567000000e-03  1.3127000000e-03 -1.1055000000e-03 -3.7215000000e-03 -5.0990000000e-04  5.1654000000e-03 -9.5230000000e-04
-
-JOB 47
-COORDS  5.2940000000e-03 -1.0719720000e+00  1.1575070000e+00 -6.9197600000e-01 -9.4739700000e-01  1.8013440000e+00  3.1803000000e-01 -1.9633740000e+00  1.3118810000e+00  3.5708000000e-02  1.1746550000e+00 -1.1768940000e+00  9.6108000000e-02  2.8559100000e-01 -8.2739700000e-01 -2.9985200000e-01  1.0606950000e+00 -2.0660750000e+00
-ENERGY -1.526593059338e+02
-FORCES -1.8943000000e-03 -2.8040000000e-03  5.5980000000e-03  3.2391000000e-03 -1.6773000000e-03 -2.4619000000e-03 -1.7025000000e-03  3.8647000000e-03 -6.8590000000e-04 -6.1280000000e-04 -5.5323000000e-03  6.5710000000e-04 -1.6580000000e-04  6.0856000000e-03 -6.4426000000e-03  1.1363000000e-03  6.3300000000e-05  3.3355000000e-03
-
-JOB 48
-COORDS  1.6613830000e+00 -1.3566000000e-02 -2.8177300000e-01  1.2507200000e+00  4.5247700000e-01 -1.0100530000e+00  1.7481870000e+00 -9.1490100000e-01 -5.9208200000e-01 -1.7122720000e+00  2.2687000000e-02  3.6011000000e-01 -1.1826840000e+00  7.8072100000e-01  6.0740200000e-01 -1.1449120000e+00 -4.8846000000e-01 -2.1700600000e-01
-ENERGY -1.526551289593e+02
-FORCES  1.7421000000e-03 -1.9685000000e-03 -4.4705000000e-03 -6.8700000000e-05 -2.6126000000e-03  4.4496000000e-03 -1.5801000000e-03  4.2740000000e-03  1.2811000000e-03  7.2682000000e-03  6.3920000000e-04  5.7120000000e-04 -3.8356000000e-03 -1.7165000000e-03 -1.7806000000e-03 -3.5259000000e-03  1.3844000000e-03 -5.0800000000e-05
-
-JOB 49
-COORDS -6.6898100000e-01 -1.5175260000e+00 -3.7472200000e-01 -4.7398900000e-01 -1.9949990000e+00 -1.1810900000e+00 -1.1820400000e-01 -1.9325430000e+00  2.8908400000e-01  5.8320300000e-01  1.5515720000e+00  3.4737700000e-01  7.2300600000e-01  1.4353050000e+00  1.2871480000e+00  1.3991660000e+00  1.9379660000e+00  2.9358000000e-02
-ENERGY -1.526515152187e+02
-FORCES  4.0001000000e-03 -1.9204000000e-03 -7.3470000000e-04 -8.7800000000e-04  1.8658000000e-03  3.1921000000e-03 -2.4278000000e-03  1.3028000000e-03 -2.1560000000e-03  3.0960000000e-03  4.1880000000e-04  2.4228000000e-03 -3.4150000000e-04  2.3050000000e-04 -3.7509000000e-03 -3.4488000000e-03 -1.8974000000e-03  1.0267000000e-03
-
-JOB 50
-COORDS -9.7603500000e-01  1.2595580000e+00 -7.4248200000e-01 -7.9684300000e-01  1.5034740000e+00 -1.6505720000e+00 -3.0518400000e-01  1.7158670000e+00 -2.3457200000e-01  9.6492400000e-01 -1.3580210000e+00  7.7157900000e-01  1.2529910000e+00 -4.4559000000e-01  7.4478500000e-01  9.7320000000e-03 -1.3093410000e+00  7.3323300000e-01
-ENERGY -1.526553741625e+02
-FORCES  2.7043000000e-03  3.9766000000e-03 -3.4312000000e-03 -7.7670000000e-04 -6.8270000000e-04  4.1687000000e-03 -2.0482000000e-03 -3.5097000000e-03 -1.4223000000e-03 -4.5535000000e-03  4.4484000000e-03 -1.7491000000e-03 -6.5000000000e-06 -2.5761000000e-03  6.9960000000e-04  4.6805000000e-03 -1.6564000000e-03  1.7343000000e-03
-
-JOB 51
-COORDS  1.2214210000e+00 -9.8717400000e-01 -9.0947400000e-01  5.4531600000e-01 -1.2606530000e+00 -2.8953500000e-01  2.0149740000e+00 -1.4310880000e+00 -6.1039900000e-01 -1.1972200000e+00  1.0802410000e+00  8.6530900000e-01 -1.8163360000e+00  8.6796700000e-01  1.6683400000e-01 -1.1421070000e+00  2.8050200000e-01  1.3883890000e+00
-ENERGY -1.526525564356e+02
-FORCES  6.7460000000e-04 -1.6682000000e-03  4.2016000000e-03  1.9873000000e-03 -1.1910000000e-04 -2.3559000000e-03 -3.4153000000e-03  1.8409000000e-03 -1.1568000000e-03 -2.3387000000e-03 -2.7435000000e-03 -1.2432000000e-03  2.5701000000e-03  3.7310000000e-04  3.4797000000e-03  5.2200000000e-04  2.3168000000e-03 -2.9253000000e-03
-
-JOB 52
-COORDS -7.9411200000e-01 -2.4173700000e-01  1.5536440000e+00 -1.5183340000e+00 -8.0924600000e-01  1.8175920000e+00 -2.1890800000e-01 -2.1536600000e-01  2.3182860000e+00  8.6222700000e-01  2.7383900000e-01 -1.6268340000e+00  2.0731300000e-01 -3.7094600000e-01 -1.8943650000e+00  3.8117400000e-01  8.8908700000e-01 -1.0734000000e+00
-ENERGY -1.526563101905e+02
-FORCES  7.0600000000e-05 -2.8190000000e-03  5.0292000000e-03  3.0436000000e-03  2.2915000000e-03 -1.2787000000e-03 -2.9021000000e-03  2.6300000000e-05 -2.9136000000e-03 -5.7939000000e-03 -8.5110000000e-04  3.7584000000e-03  2.6783000000e-03  2.2413000000e-03 -4.3540000000e-04  2.9035000000e-03 -8.8910000000e-04 -4.1599000000e-03
-
-JOB 53
-COORDS  4.2997500000e-01  1.7860410000e+00 -3.1639200000e-01  1.0669130000e+00  1.5220010000e+00  3.4755400000e-01 -4.2133800000e-01  1.6373910000e+00  9.5191000000e-02 -4.0185200000e-01 -1.7024280000e+00  2.8228300000e-01  3.5630000000e-02 -2.2075080000e+00 -4.0308900000e-01 -1.1343120000e+00 -2.2542430000e+00  5.5657000000e-01
-ENERGY -1.526556707953e+02
-FORCES -1.6360000000e-03 -4.4223000000e-03  4.8488000000e-03 -1.5945000000e-03  2.2812000000e-03 -2.6469000000e-03  2.9282000000e-03  2.7697000000e-03 -1.5757000000e-03 -7.0690000000e-04 -4.7337000000e-03 -2.8813000000e-03 -1.9170000000e-03  1.4301000000e-03  3.3499000000e-03  2.9263000000e-03  2.6750000000e-03 -1.0948000000e-03
-
-JOB 54
-COORDS  1.2546860000e+00  1.4237690000e+00  9.0586000000e-02  5.3716800000e-01  8.9662000000e-01  4.4203100000e-01  1.4554620000e+00  1.0225430000e+00 -7.5495500000e-01 -1.2511990000e+00 -1.3738170000e+00 -1.0584000000e-02 -7.7390100000e-01 -2.0962940000e+00 -4.1856100000e-01 -1.2536840000e+00 -6.8322400000e-01 -6.7338600000e-01
-ENERGY -1.526552957821e+02
-FORCES -1.7324000000e-03 -4.5641000000e-03 -4.4810000000e-04  3.2707000000e-03  4.0832000000e-03 -3.1597000000e-03 -1.4423000000e-03  1.5651000000e-03  2.9205000000e-03 -4.5800000000e-05 -2.5220000000e-03 -5.0761000000e-03 -1.9655000000e-03  3.6822000000e-03  1.6583000000e-03  1.9153000000e-03 -2.2445000000e-03  4.1052000000e-03
-
-JOB 55
-COORDS -7.9482100000e-01  1.5856330000e+00  7.9005500000e-01  1.4421900000e-01  1.4535030000e+00  6.5975900000e-01 -1.1794880000e+00  1.4432500000e+00 -7.4810000000e-02  8.1767200000e-01 -1.5341030000e+00 -7.5257700000e-01 -6.3882000000e-02 -1.4866120000e+00 -1.1224940000e+00  7.6860600000e-01 -2.2372150000e+00 -1.0492200000e-01
-ENERGY -1.526556638245e+02
-FORCES  3.6614000000e-03 -1.6785000000e-03 -4.3499000000e-03 -4.4299000000e-03  2.0106000000e-03  1.2241000000e-03  6.8100000000e-04  2.4950000000e-04  3.2559000000e-03 -3.9819000000e-03 -4.0467000000e-03  1.6639000000e-03  3.6738000000e-03  6.8590000000e-04  1.2308000000e-03  3.9550000000e-04  2.7791000000e-03 -3.0248000000e-03
-
-JOB 56
-COORDS -3.1719400000e-01 -7.6000000000e-02 -1.8557200000e+00 -3.5653400000e-01 -9.8745900000e-01 -1.5660180000e+00 -2.0692000000e-02 -1.2561200000e-01 -2.7644860000e+00  3.3707700000e-01  1.6519500000e-01  1.9374250000e+00  6.5652900000e-01 -2.3027000000e-01  1.1263830000e+00 -6.0168200000e-01 -2.1734000000e-02  1.9420510000e+00
-ENERGY -1.526546290876e+02
-FORCES  6.8480000000e-04 -3.3771000000e-03 -4.6908000000e-03  7.5860000000e-04  4.3436000000e-03  4.1050000000e-04 -1.4268000000e-03  3.3400000000e-05  3.9499000000e-03 -2.7530000000e-03 -8.1520000000e-04 -4.7522000000e-03 -1.0530000000e-03 -2.1750000000e-04  4.5501000000e-03  3.7895000000e-03  3.2800000000e-05  5.3240000000e-04
-
-JOB 57
-COORDS -2.4054000000e-02  8.0767800000e-01 -1.7760560000e+00  9.0523000000e-02  1.7569170000e+00 -1.8213200000e+00 -1.3200000000e-01  6.2319900000e-01 -8.4302500000e-01  2.6764000000e-02 -8.1601000000e-01  1.6633600000e+00  6.4075500000e-01 -1.4662090000e+00  2.0046640000e+00 -6.7731900000e-01 -7.8752100000e-01  2.3111930000e+00
-ENERGY -1.526575693139e+02
-FORCES  2.7610000000e-04  1.8795000000e-03  4.9923000000e-03 -5.0070000000e-04 -3.4620000000e-03  8.4100000000e-05 -1.6330000000e-04  2.8317000000e-03 -6.4554000000e-03  2.0020000000e-04 -4.0068000000e-03  4.8475000000e-03 -2.9047000000e-03  2.7383000000e-03 -7.6030000000e-04  3.0924000000e-03  1.9200000000e-05 -2.7083000000e-03
-
-JOB 58
-COORDS -5.7060000000e-03 -1.9536470000e+00  1.3677400000e-01 -2.3459300000e-01 -1.0960600000e+00 -2.2153600000e-01 -2.8454800000e-01 -2.5764090000e+00 -5.3452800000e-01  3.2987000000e-02  1.9521590000e+00 -1.4916500000e-01 -3.3942100000e-01  1.1975690000e+00  3.0705500000e-01  3.8247100000e-01  2.5061180000e+00  5.4884700000e-01
-ENERGY -1.526537869742e+02
-FORCES -1.4744000000e-03  4.0700000000e-05 -5.7972000000e-03 -2.2170000000e-04 -2.0050000000e-03  3.9072000000e-03  1.2238000000e-03  2.3925000000e-03  3.0539000000e-03  6.2460000000e-04  6.5310000000e-04  6.2463000000e-03  1.5584000000e-03  8.6820000000e-04 -4.1818000000e-03 -1.7106000000e-03 -1.9496000000e-03 -3.2283000000e-03
-
-JOB 59
-COORDS  7.7135700000e-01  1.6725800000e+00  8.5033200000e-01  1.6464580000e+00  1.3940350000e+00  5.8044100000e-01  2.0848100000e-01  1.4463020000e+00  1.0992600000e-01 -7.5080300000e-01 -1.5854810000e+00 -8.1411600000e-01 -8.3757500000e-01 -1.9189900000e+00  7.8898000000e-02 -1.2623880000e+00 -2.1932830000e+00 -1.3480540000e+00
-ENERGY -1.526567168108e+02
-FORCES  8.5970000000e-04 -2.7983000000e-03 -5.1352000000e-03 -3.0409000000e-03  1.4339000000e-03  1.5245000000e-03  2.6037000000e-03  2.5165000000e-03  3.8399000000e-03 -2.7900000000e-03 -4.7098000000e-03  1.5949000000e-03  2.4280000000e-04  1.1542000000e-03 -4.1808000000e-03  2.1246000000e-03  2.4035000000e-03  2.3567000000e-03
-
-JOB 60
-COORDS -1.3962740000e+00 -1.2059010000e+00 -9.1490800000e-01 -2.1798290000e+00 -8.6584500000e-01 -4.8289300000e-01 -7.6812000000e-01 -1.3364830000e+00 -2.0455400000e-01  1.3417370000e+00  1.1680730000e+00  8.7709200000e-01  2.1604230000e+00  1.3188910000e+00  1.3495760000e+00  1.5228420000e+00  1.4603850000e+00 -1.6208000000e-02
-ENERGY -1.526562872796e+02
-FORCES -3.5000000000e-05  1.4696000000e-03  5.5748000000e-03  2.6655000000e-03 -1.5719000000e-03 -2.0069000000e-03 -3.2985000000e-03 -7.3520000000e-04 -3.6885000000e-03  4.3895000000e-03  2.6409000000e-03 -2.0601000000e-03 -3.3900000000e-03 -6.6180000000e-04 -2.0086000000e-03 -3.3160000000e-04 -1.1416000000e-03  4.1893000000e-03
-
-JOB 61
-COORDS -3.1011400000e-01  2.0317000000e+00 -1.6731100000e-01  5.8446500000e-01  2.2450760000e+00  9.8079000000e-02 -7.3956100000e-01  1.7506510000e+00  6.4066000000e-01  3.1409200000e-01 -1.9685930000e+00  9.4699000000e-02  3.3524300000e-01 -2.6398280000e+00  7.7677500000e-01 -2.8448300000e-01 -2.3167510000e+00 -5.6615300000e-01
-ENERGY -1.526543722700e+02
-FORCES  2.5950000000e-03 -2.0911000000e-03  4.5042000000e-03 -3.6003000000e-03  5.9800000000e-05 -1.0120000000e-03  1.1195000000e-03  2.1614000000e-03 -3.0027000000e-03 -2.5490000000e-03 -4.1904000000e-03 -9.7140000000e-04 -8.7700000000e-05  3.1328000000e-03 -2.5777000000e-03  2.5225000000e-03  9.2760000000e-04  3.0596000000e-03
-
-JOB 62
-COORDS -1.9672870000e+00 -5.5526900000e-01  7.2856400000e-01 -1.7088760000e+00  3.5240900000e-01  5.6864100000e-01 -1.1466840000e+00 -1.0471730000e+00  6.9903700000e-01  1.8888630000e+00  5.2705700000e-01 -6.5976400000e-01  1.3823250000e+00  1.7624300000e-01 -1.3922810000e+00  2.6350340000e+00  9.6328400000e-01 -1.0710620000e+00
-ENERGY -1.526556425125e+02
-FORCES  5.2066000000e-03  2.1344000000e-03  2.4970000000e-04 -1.9300000000e-03 -3.8107000000e-03  1.2870000000e-04 -4.0448000000e-03  1.4040000000e-03 -5.6420000000e-04  2.3917000000e-03  7.5300000000e-04 -5.1299000000e-03  1.5804000000e-03  1.3901000000e-03  3.7777000000e-03 -3.2040000000e-03 -1.8708000000e-03  1.5381000000e-03
-
-JOB 63
-COORDS  3.8512400000e-01  8.9667200000e-01  1.8389690000e+00  1.8349800000e-01  1.5311470000e+00  1.1512040000e+00  6.9544300000e-01  1.4280240000e+00  2.5721810000e+00 -3.6430800000e-01 -9.0365900000e-01 -1.8689420000e+00 -1.3037400000e+00 -1.0696020000e+00 -1.7904350000e+00  4.8605000000e-02 -1.6583800000e+00 -1.4492640000e+00
-ENERGY -1.526551962229e+02
-FORCES  5.2200000000e-04  4.8587000000e-03 -6.6480000000e-04  7.1260000000e-04 -2.0556000000e-03  3.8633000000e-03 -1.2597000000e-03 -2.1880000000e-03 -2.9529000000e-03 -1.8255000000e-03 -4.2083000000e-03  2.8369000000e-03  3.6850000000e-03  8.6480000000e-04 -5.8910000000e-04 -1.8344000000e-03  2.7284000000e-03 -2.4934000000e-03
-
-JOB 64
-COORDS  1.1641840000e+00 -2.6275500000e-01  1.7234970000e+00  2.0178090000e+00 -6.8746200000e-01  1.6387680000e+00  1.3381110000e+00  6.6235100000e-01  1.5498270000e+00 -1.2456190000e+00  2.8541600000e-01 -1.6599510000e+00 -1.2137970000e+00 -6.6397400000e-01 -1.5421450000e+00 -9.1704800000e-01  4.2824900000e-01 -2.5475720000e+00
-ENERGY -1.526544015477e+02
-FORCES  3.6806000000e-03  2.9312000000e-03 -1.3615000000e-03 -3.5243000000e-03  1.4902000000e-03  1.5910000000e-04  3.5200000000e-05 -3.9336000000e-03  1.3486000000e-03  1.4437000000e-03 -3.9801000000e-03 -2.3100000000e-03 -5.1530000000e-04  3.9007000000e-03 -1.4839000000e-03 -1.1199000000e-03 -4.0830000000e-04  3.6477000000e-03
-
-JOB 65
-COORDS -1.0313680000e+00  6.5370400000e-01  1.7804640000e+00 -4.4944700000e-01  1.4008900000e+00  1.6414940000e+00 -5.1624700000e-01  4.3166000000e-02  2.3078400000e+00  9.9001800000e-01 -6.2358000000e-01 -1.7684540000e+00  1.5017800000e-01 -1.0424850000e+00 -1.5802530000e+00  1.2854000000e+00 -1.0328110000e+00 -2.5817870000e+00
-ENERGY -1.526553738854e+02
-FORCES  5.1714000000e-03  1.0156000000e-03  1.3594000000e-03 -2.7777000000e-03 -2.8610000000e-03  1.1644000000e-03 -2.4168000000e-03  2.2636000000e-03 -2.0158000000e-03 -2.8798000000e-03 -3.2308000000e-03 -2.4388000000e-03  4.0856000000e-03  1.1832000000e-03 -1.3899000000e-03 -1.1826000000e-03  1.6294000000e-03  3.3207000000e-03
-
-JOB 66
-COORDS -3.6692800000e-01  1.5083290000e+00  1.4209440000e+00 -2.5817800000e-01  2.3967810000e+00  1.7601460000e+00 -8.6998100000e-01  1.0534590000e+00  2.0964170000e+00  4.3098800000e-01 -1.5628100000e+00 -1.4324630000e+00  3.3990500000e-01 -6.2231000000e-01 -1.5854230000e+00 -1.3801800000e-01 -1.9685430000e+00 -2.0865620000e+00
-ENERGY -1.526550112797e+02
-FORCES -1.4851000000e-03  1.2316000000e-03  4.8210000000e-03 -4.8970000000e-04 -3.6266000000e-03 -1.5169000000e-03  1.8557000000e-03  2.3937000000e-03 -2.6512000000e-03 -2.6505000000e-03  3.1939000000e-03 -2.5696000000e-03  5.6090000000e-04 -4.6710000000e-03 -7.0980000000e-04  2.2086000000e-03  1.4785000000e-03  2.6265000000e-03
-
-JOB 67
-COORDS -3.3671900000e-01  8.8975000000e-01 -1.9966650000e+00 -1.1383900000e+00  1.0164800000e+00 -1.4892250000e+00  1.8167600000e-01  1.6762930000e+00 -1.8268170000e+00  3.0258500000e-01 -9.8110600000e-01  1.9711350000e+00  1.0467090000e+00 -1.1895530000e+00  1.4062800000e+00  4.7575500000e-01 -9.0926000000e-02  2.2774430000e+00
-ENERGY -1.526544521550e+02
-FORCES -1.9328000000e-03  3.4373000000e-03  2.7471000000e-03  3.4626000000e-03  2.9800000000e-05 -2.4424000000e-03 -1.8167000000e-03 -3.3393000000e-03 -4.0180000000e-04  4.0497000000e-03  2.3629000000e-03 -1.7338000000e-03 -2.8098000000e-03  8.3770000000e-04  3.0714000000e-03 -9.5310000000e-04 -3.3284000000e-03 -1.2405000000e-03
-
-JOB 68
-COORDS  2.1194400000e-01  2.0730580000e+00  9.5603200000e-01 -6.7442900000e-01  2.3779410000e+00  7.6206700000e-01  5.7956600000e-01  1.8451300000e+00  1.0213800000e-01 -1.8384800000e-01 -2.1238820000e+00 -9.4822600000e-01  4.9471500000e-01 -1.4984000000e+00 -6.9414500000e-01 -9.0371600000e-01 -1.9573760000e+00 -3.3970600000e-01
-ENERGY -1.526545164943e+02
-FORCES -2.1430000000e-03  1.8382000000e-03 -4.2687000000e-03  3.7446000000e-03 -1.6218000000e-03  8.9340000000e-04 -1.5408000000e-03 -1.5490000000e-04  3.8257000000e-03 -3.8500000000e-05  2.7226000000e-03  4.4331000000e-03 -2.7421000000e-03 -2.0901000000e-03 -1.8914000000e-03  2.7199000000e-03 -6.9400000000e-04 -2.9922000000e-03
-
-JOB 69
-COORDS -9.1883600000e-01  1.6954340000e+00 -1.1368860000e+00 -1.2808750000e+00  2.2554820000e+00 -4.5022200000e-01 -8.4669900000e-01  2.2681150000e+00 -1.9004730000e+00  9.1336600000e-01 -1.8062980000e+00  1.1650770000e+00  6.9207900000e-01 -8.8501200000e-01  1.3010830000e+00  1.5947250000e+00 -1.7927540000e+00  4.9291800000e-01
-ENERGY -1.526549325309e+02
-FORCES -1.8940000000e-03  4.8508000000e-03 -1.0085000000e-03  1.9082000000e-03 -2.4888000000e-03 -2.6004000000e-03 -2.5240000000e-04 -2.3240000000e-03  3.2505000000e-03  1.2156000000e-03  4.4289000000e-03 -3.2385000000e-03  1.2472000000e-03 -3.9749000000e-03  6.2790000000e-04 -2.2246000000e-03 -4.9190000000e-04  2.9690000000e-03
-
-JOB 70
-COORDS -1.6784000000e-02  2.1861210000e+00  9.6644000000e-01 -4.7245000000e-01  2.2150480000e+00  1.2515300000e-01  8.7307900000e-01  2.4773440000e+00  7.6753000000e-01  4.5140000000e-02 -2.1678330000e+00 -9.3285200000e-01 -6.3296600000e-01 -1.9414610000e+00 -2.9633000000e-01 -2.0107000000e-01 -3.0380010000e+00 -1.2465720000e+00
-ENERGY -1.526548058198e+02
-FORCES  2.3678000000e-03  1.1669000000e-03 -4.5700000000e-03  1.4764000000e-03 -7.4800000000e-05  3.6683000000e-03 -3.7160000000e-03 -8.1050000000e-04  9.6710000000e-04 -3.6592000000e-03 -2.6426000000e-03  1.8978000000e-03  2.5403000000e-03 -1.1978000000e-03 -3.1918000000e-03  9.9080000000e-04  3.5588000000e-03  1.2287000000e-03
-
-JOB 71
-COORDS  1.7356630000e+00  1.5419940000e+00 -7.2444100000e-01  2.0073780000e+00  2.3428990000e+00 -2.7616300000e-01  1.8956300000e+00  8.4485900000e-01 -8.8324000000e-02 -1.7241090000e+00 -1.5474450000e+00  6.1770900000e-01 -1.9629980000e+00 -2.3118640000e+00  1.1419480000e+00 -2.1319130000e+00 -8.0912500000e-01  1.0702710000e+00
-ENERGY -1.526541492376e+02
-FORCES  1.5401000000e-03 -2.8860000000e-04  4.3008000000e-03 -1.2224000000e-03 -3.1732000000e-03 -1.7690000000e-03 -1.1880000000e-04  3.4442000000e-03 -2.4552000000e-03 -3.1486000000e-03  5.1100000000e-05  3.5804000000e-03  1.1428000000e-03  3.1833000000e-03 -2.1121000000e-03  1.8068000000e-03 -3.2168000000e-03 -1.5448000000e-03
-
-JOB 72
-COORDS  3.4234600000e-01  2.0929420000e+00 -1.1569670000e+00 -1.0363900000e-01  2.5277350000e+00 -1.8837990000e+00  1.2524970000e+00  2.0185510000e+00 -1.4438870000e+00 -3.5617000000e-01 -2.1547030000e+00  1.1655950000e+00 -6.5237100000e-01 -1.2469610000e+00  1.0985040000e+00 -2.7199200000e-01 -2.3107770000e+00  2.1062260000e+00
-ENERGY -1.526551901207e+02
-FORCES  2.1517000000e-03  1.4594000000e-03 -4.5480000000e-03  1.8375000000e-03 -1.7107000000e-03  3.0197000000e-03 -3.7879000000e-03  5.4810000000e-04  1.1948000000e-03 -8.6020000000e-04  3.7231000000e-03  3.1525000000e-03  9.5790000000e-04 -4.5260000000e-03  8.7330000000e-04 -2.9900000000e-04  5.0610000000e-04 -3.6924000000e-03
-
-JOB 73
-COORDS  1.0956900000e+00 -7.2355400000e-01 -2.0855980000e+00  1.5356540000e+00 -9.3456700000e-01 -1.2621070000e+00  1.7124520000e+00 -1.5676500000e-01 -2.5488320000e+00 -1.0910510000e+00  6.9735000000e-01  2.0421100000e+00 -1.8099290000e+00  1.2392870000e+00  1.7169190000e+00 -1.4421210000e+00  2.7971000000e-01  2.8285950000e+00
-ENERGY -1.526544379452e+02
-FORCES  4.0246000000e-03  1.6799000000e-03  2.3129000000e-03 -1.2742000000e-03  4.7020000000e-04 -3.9510000000e-03 -2.4761000000e-03 -2.2813000000e-03  1.6716000000e-03 -4.7343000000e-03  5.0830000000e-04  1.4043000000e-03  2.9075000000e-03 -2.0587000000e-03  1.7132000000e-03  1.5525000000e-03  1.6817000000e-03 -3.1510000000e-03
-
-JOB 74
-COORDS  7.7858300000e-01  1.5250130000e+00  1.8553170000e+00  1.3289160000e+00  8.7488700000e-01  1.4186240000e+00  4.8485000000e-02  1.0199320000e+00  2.2132020000e+00 -7.5604300000e-01 -1.4993640000e+00 -1.9031000000e+00 -1.4957480000e+00 -9.0983900000e-01 -1.7563720000e+00 -1.9279600000e-01 -1.3723080000e+00 -1.1396590000e+00
-ENERGY -1.526534814167e+02
-FORCES -1.5430000000e-04 -4.2175000000e-03  5.3190000000e-04 -2.9104000000e-03  2.3654000000e-03  1.3961000000e-03  2.9708000000e-03  1.9042000000e-03 -2.1144000000e-03 -9.3590000000e-04  3.2311000000e-03  3.2536000000e-03  3.0984000000e-03 -2.7085000000e-03 -4.2850000000e-04 -2.0687000000e-03 -5.7470000000e-04 -2.6388000000e-03
-
-JOB 75
-COORDS -1.3152590000e+00 -1.3865050000e+00 -1.6197090000e+00 -6.2464200000e-01 -1.7998480000e+00 -2.1378100000e+00 -1.7113530000e+00 -2.1069660000e+00 -1.1295270000e+00  1.3094360000e+00  1.3930540000e+00  1.5933260000e+00  1.4331030000e+00  2.2686820000e+00  1.2269730000e+00  9.5062600000e-01  1.5470340000e+00  2.4672700000e+00
-ENERGY -1.526536633531e+02
-FORCES  1.8475000000e-03 -4.4185000000e-03  4.8010000000e-04 -3.0248000000e-03  1.5570000000e-03  1.7778000000e-03  1.3411000000e-03  2.8203000000e-03 -2.1330000000e-03 -1.5356000000e-03  4.1980000000e-03  1.6094000000e-03 -2.2200000000e-04 -3.4797000000e-03  1.6680000000e-03  1.5938000000e-03 -6.7710000000e-04 -3.4022000000e-03
-
-JOB 76
-COORDS -2.8076200000e-01  9.2039400000e-01 -2.3600380000e+00 -1.0384880000e+00  1.0414480000e+00 -2.9322520000e+00 -6.2907000000e-01  1.0268510000e+00 -1.4748370000e+00  3.4859100000e-01 -8.8621100000e-01  2.3771710000e+00  9.5397800000e-01 -1.6262690000e+00  2.3318590000e+00 -3.1412700000e-01 -1.0772910000e+00  1.7134500000e+00
-ENERGY -1.526541730992e+02
-FORCES -4.3069000000e-03  1.6154000000e-03  1.1980000000e-03  3.1040000000e-03 -6.4430000000e-04  2.4203000000e-03  1.1418000000e-03 -1.0955000000e-03 -3.7171000000e-03  2.8040000000e-04 -4.2440000000e-03 -2.8453000000e-03 -2.6175000000e-03  3.0069000000e-03  3.7790000000e-04  2.3982000000e-03  1.3616000000e-03  2.5662000000e-03
-
-JOB 77
-COORDS -2.1779430000e+00  5.1777300000e-01 -1.4186180000e+00 -1.2769580000e+00  7.0752000000e-01 -1.6802560000e+00 -2.5996080000e+00  1.3757430000e+00 -1.3704650000e+00  2.1754850000e+00 -5.4325000000e-01  1.4724130000e+00  1.5821760000e+00 -3.0945100000e-01  7.5858200000e-01  2.2751480000e+00 -1.4925260000e+00  1.4004700000e+00
-ENERGY -1.526540416348e+02
-FORCES  1.2869000000e-03  4.7141000000e-03 -1.1293000000e-03 -3.2224000000e-03 -1.2127000000e-03  1.5767000000e-03  1.8194000000e-03 -3.6208000000e-03 -2.7290000000e-04 -2.4059000000e-03 -3.2729000000e-03 -2.9028000000e-03  2.7395000000e-03 -5.4990000000e-04  2.4827000000e-03 -2.1750000000e-04  3.9423000000e-03  2.4560000000e-04
-
-JOB 78
-COORDS  7.5233800000e-01  1.9937110000e+00 -1.7596520000e+00  9.3282200000e-01  2.5543850000e+00 -1.0051300000e+00  2.3902700000e-01  2.5445780000e+00 -2.3506590000e+00 -7.7699200000e-01 -2.0253450000e+00  1.7015370000e+00  5.7840000000e-03 -1.5983020000e+00  2.0495710000e+00 -8.5274600000e-01 -2.8353980000e+00  2.2058270000e+00
-ENERGY -1.526537282656e+02
-FORCES -1.7946000000e-03  4.3628000000e-03  6.3900000000e-04 -5.3520000000e-04 -2.3076000000e-03 -2.9852000000e-03  2.2324000000e-03 -2.1386000000e-03  2.3589000000e-03  3.1430000000e-03 -1.4776000000e-03  3.0852000000e-03 -3.2876000000e-03 -1.7441000000e-03 -1.0627000000e-03  2.4200000000e-04  3.3053000000e-03 -2.0351000000e-03
-
-JOB 79
-COORDS  3.1064000000e-01 -1.7394210000e+00 -2.4342400000e+00  3.2380000000e-01 -8.2585200000e-01 -2.1488470000e+00  4.2998600000e-01 -1.6962070000e+00 -3.3829870000e+00 -3.0032700000e-01  1.6966330000e+00  2.4116740000e+00 -1.1475840000e+00  1.3759150000e+00  2.7207490000e+00  2.1314500000e-01  1.8250250000e+00  3.2092290000e+00
-ENERGY -1.526545530164e+02
-FORCES  5.9830000000e-04  4.1534000000e-03 -2.3697000000e-03 -9.1800000000e-05 -3.9469000000e-03 -1.5825000000e-03 -4.9170000000e-04 -2.3280000000e-04  3.7792000000e-03 -1.3500000000e-03 -9.5590000000e-04  4.7057000000e-03  3.4552000000e-03  1.4290000000e-03 -1.2854000000e-03 -2.1199000000e-03 -4.4680000000e-04 -3.2473000000e-03
-
-JOB 80
-COORDS  4.1066300000e-01 -2.7516800000e+00 -1.5816360000e+00 -3.6839400000e-01 -3.2854720000e+00 -1.4255310000e+00  7.7602900000e-01 -2.5996880000e+00 -7.1006400000e-01 -3.9116500000e-01  2.7013390000e+00  1.5313460000e+00 -1.0087720000e+00  3.3899910000e+00  1.7774170000e+00  3.1957200000e-01  3.1638460000e+00  1.0873050000e+00
-ENERGY -1.526543167475e+02
-FORCES -1.8640000000e-03 -1.2071000000e-03  4.4279000000e-03  3.1788000000e-03  2.0030000000e-03 -7.3540000000e-04 -1.3060000000e-03 -8.7880000000e-04 -3.6669000000e-03  3.4800000000e-04  4.7643000000e-03 -1.0258000000e-03  2.5141000000e-03 -2.8117000000e-03 -9.4790000000e-04 -2.8710000000e-03 -1.8697000000e-03  1.9480000000e-03
-
-JOB 81
-COORDS  4.7231000000e-02 -3.4494980000e+00  3.6155000000e-02 -9.0918500000e-01 -3.4447100000e+00  7.4592000000e-02  2.5080800000e-01 -3.7998130000e+00 -8.3106400000e-01 -5.7540000000e-03  3.5100170000e+00  5.6828000000e-02  2.6444400000e-01  3.5864770000e+00 -8.5825600000e-01 -3.1225100000e-01  2.6072160000e+00  1.4192700000e-01
-ENERGY -1.526541887847e+02
-FORCES -3.0223000000e-03 -1.8117000000e-03 -3.2679000000e-03  3.9403000000e-03  1.9080000000e-04 -2.1980000000e-04 -8.6340000000e-04  1.5796000000e-03  3.5242000000e-03  4.6900000000e-05 -3.5590000000e-03 -3.2582000000e-03 -1.1628000000e-03 -2.4150000000e-04  3.6611000000e-03  1.0613000000e-03  3.8418000000e-03 -4.3940000000e-04
-
-JOB 82
-COORDS  9.7082600000e-01 -8.9333900000e-01  3.2153970000e+00  1.5392430000e+00 -1.6612300000e-01  2.9618420000e+00  9.3542900000e-01 -8.4840900000e-01  4.1708870000e+00 -9.6020100000e-01  8.3134700000e-01 -3.2132370000e+00 -9.3659900000e-01  1.5173470000e+00 -3.8803800000e+00 -1.7990620000e+00  3.9138100000e-01 -3.3509880000e+00
-ENERGY -1.526539737271e+02
-FORCES  2.1754000000e-03  3.2717000000e-03  2.5681000000e-03 -2.2476000000e-03 -3.0012000000e-03  1.2702000000e-03  1.1570000000e-04 -2.1940000000e-04 -3.8523000000e-03 -3.4118000000e-03  8.2070000000e-04 -3.1683000000e-03 -4.8400000000e-05 -2.7511000000e-03  2.7369000000e-03  3.4167000000e-03  1.8793000000e-03  4.4550000000e-04
-
-JOB 83
-COORDS  2.3160100000e-01 -3.9634870000e+00  1.8178430000e+00 -3.2637900000e-01 -4.3217180000e+00  1.1275090000e+00  1.0628260000e+00 -4.4278920000e+00  1.7197340000e+00 -2.5532700000e-01  4.0338280000e+00 -1.7016410000e+00  5.4665800000e-01  3.7747730000e+00 -2.1554500000e+00 -9.3930000000e-01  3.9710140000e+00 -2.3683240000e+00
-ENERGY -1.526539308638e+02
-FORCES  1.0946000000e-03 -3.3013000000e-03 -3.1818000000e-03  2.2893000000e-03  1.4408000000e-03  2.7950000000e-03 -3.3886000000e-03  1.8867000000e-03  3.8060000000e-04  4.8520000000e-04 -1.3881000000e-03 -4.4848000000e-03 -3.2706000000e-03  1.0890000000e-03  1.8018000000e-03  2.7901000000e-03  2.7280000000e-04  2.6893000000e-03
-
-JOB 84
-COORDS -3.0919840000e+00 -2.7036810000e+00  2.7829890000e+00 -2.4295450000e+00 -2.4386230000e+00  2.1449050000e+00 -3.0745240000e+00 -2.0147570000e+00  3.4473010000e+00  3.0136930000e+00  2.6353060000e+00 -2.7422080000e+00  3.6091430000e+00  2.0643840000e+00 -3.2277180000e+00  3.2023250000e+00  3.5141760000e+00 -3.0712020000e+00
-ENERGY -1.526542334039e+02
-FORCES  2.8178000000e-03  3.9599000000e-03  4.4500000000e-05 -2.7272000000e-03 -1.1432000000e-03  2.6320000000e-03 -1.0340000000e-04 -2.8322000000e-03 -2.6590000000e-03  3.2270000000e-03  1.2911000000e-03 -3.3808000000e-03 -2.4413000000e-03  2.3147000000e-03  2.0058000000e-03 -7.7290000000e-04 -3.5903000000e-03  1.3575000000e-03
-
-JOB 85
-COORDS -2.8268520000e+00 -1.8016890000e+00 -3.9472470000e+00 -2.5519810000e+00 -1.9028470000e+00 -3.0359600000e+00 -2.1069120000e+00 -1.3280710000e+00 -4.3639060000e+00  2.8160630000e+00  1.8047040000e+00  3.8753730000e+00  1.9436400000e+00  1.4647130000e+00  3.6765870000e+00  2.8937790000e+00  1.7250740000e+00  4.8260830000e+00
-ENERGY -1.526540749010e+02
-FORCES  4.0940000000e-03  1.5225000000e-03  1.9649000000e-03 -1.1451000000e-03  4.1480000000e-04 -3.6745000000e-03 -2.9573000000e-03 -1.9380000000e-03  1.7180000000e-03 -3.2103000000e-03 -1.6634000000e-03  3.1605000000e-03  3.5485000000e-03  1.3537000000e-03  7.3400000000e-04 -3.2980000000e-04  3.1040000000e-04 -3.9029000000e-03
-
-JOB 86
-COORDS -4.7561710000e+00  1.0223940000e+00 -2.0525040000e+00 -5.0485370000e+00  9.3802700000e-01 -1.1449600000e+00 -4.3512550000e+00  1.8887080000e+00 -2.0946430000e+00  4.7082230000e+00 -1.1204360000e+00  1.9916450000e+00  4.4912230000e+00 -1.9154900000e-01  1.9121910000e+00  5.6226160000e+00 -1.1299260000e+00  2.2745350000e+00
-ENERGY -1.526540222725e+02
-FORCES  4.8670000000e-04  3.1326000000e-03  3.5483000000e-03  1.1756000000e-03  3.7800000000e-04 -3.7102000000e-03 -1.6548000000e-03 -3.5097000000e-03  1.6740000000e-04  2.8653000000e-03  3.7208000000e-03  7.9340000000e-04  8.6650000000e-04 -3.7716000000e-03  3.4480000000e-04 -3.7392000000e-03  4.9900000000e-05 -1.1438000000e-03
-
-JOB 87
-COORDS -3.2333740000e+00 -3.7960330000e+00 -7.0142230000e+00 -2.8848280000e+00 -3.6630740000e+00 -7.8957380000e+00 -2.6359660000e+00 -3.3116830000e+00 -6.4443640000e+00  3.2247930000e+00  3.8054200000e+00  7.0230480000e+00  2.3836420000e+00  3.8897820000e+00  7.4720240000e+00  3.2328230000e+00  2.9060670000e+00  6.6954340000e+00
-ENERGY -1.526540809400e+02
-FORCES  3.8586000000e-03  2.5205000000e-03 -1.2865000000e-03 -1.4213000000e-03 -5.4330000000e-04  3.6005000000e-03 -2.4382000000e-03 -1.9781000000e-03 -2.3137000000e-03 -3.4009000000e-03 -3.3243000000e-03  5.1180000000e-04  3.4324000000e-03 -3.4420000000e-04 -1.8379000000e-03 -3.0700000000e-05  3.6695000000e-03  1.3258000000e-03
-
-JOB 88
-COORDS  8.4346720000e+00  2.5750470000e+00  2.9501120000e+00  8.4400260000e+00  3.3340350000e+00  2.3668960000e+00  7.5307630000e+00  2.2609720000e+00  2.9269590000e+00 -8.4071000000e+00 -2.5302440000e+00 -2.9272830000e+00 -8.9487070000e+00 -3.3084520000e+00 -3.0587560000e+00 -7.5441760000e+00 -2.8745380000e+00 -2.6969470000e+00
-ENERGY -1.526540796067e+02
-FORCES -3.6657000000e-03  1.8256000000e-03 -2.4714000000e-03 -2.1100000000e-05 -3.1002000000e-03  2.3780000000e-03  3.6874000000e-03  1.2737000000e-03  9.3600000000e-05  1.2973000000e-03 -4.5875000000e-03  4.0030000000e-04  2.2142000000e-03  3.1764000000e-03  5.3720000000e-04 -3.5120000000e-03  1.4120000000e-03 -9.3770000000e-04
-
-JOB 89
-COORDS -6.5939510000e+00 -7.3886990000e+00 -2.3414100000e+00 -7.2942480000e+00 -6.8973640000e+00 -2.7708350000e+00 -5.8419920000e+00 -6.7965860000e+00 -2.3552720000e+00  6.5680280000e+00  7.3556110000e+00  2.4219610000e+00  7.0848310000e+00  6.5534060000e+00  2.3470290000e+00  6.4846470000e+00  7.6722660000e+00  1.5225120000e+00
-ENERGY -1.526540706499e+02
-FORCES  2.0450000000e-04  4.4209000000e-03 -1.8017000000e-03  2.8597000000e-03 -2.0046000000e-03  1.7486000000e-03 -3.0637000000e-03 -2.4162000000e-03  5.2700000000e-05  1.7791000000e-03 -1.9756000000e-03 -3.9687000000e-03 -2.1140000000e-03  3.2707000000e-03  3.0200000000e-04  3.3430000000e-04 -1.2951000000e-03  3.6670000000e-03
-
-JOB 0
-COORDS -5.7550700000e-01 -1.7848700000e-01  1.1639570000e+00 -6.0480000000e-02 -2.6432300000e-01  1.9662100000e+00  4.3461000000e-02  1.5870000000e-01  5.1633300000e-01  5.4383700000e-01  1.5240900000e-01 -1.1200210000e+00 -3.3686000000e-01 -1.3741500000e-01 -1.3579410000e+00  8.3793800000e-01  6.6785400000e-01 -1.8710560000e+00
-ENERGY -1.526585990033e+02
-FORCES  9.7609000000e-03  2.8977000000e-03 -1.1468800000e-02  2.2870000000e-04  1.1635000000e-03 -3.4519000000e-03 -7.0340000000e-03 -3.6145000000e-03  3.5087000000e-03 -5.9766000000e-03 -6.9470000000e-04  6.8014000000e-03  5.7868000000e-03  3.7508000000e-03  1.9858000000e-03 -2.7658000000e-03 -3.5028000000e-03  2.6248000000e-03
-
-JOB 1
-COORDS -4.2420900000e-01 -5.9086000000e-01 -1.0025440000e+00 -1.1493690000e+00 -2.3280500000e-01 -1.5145710000e+00 -4.1450400000e-01 -1.5230870000e+00 -1.2195470000e+00  4.2577400000e-01  6.7619100000e-01  1.0501660000e+00  3.0075800000e-01 -6.7073000000e-02  4.6011400000e-01  1.2294450000e+00  4.7086100000e-01  1.5278510000e+00
-ENERGY -1.526563523691e+02
-FORCES -1.4500000000e-04  8.7546000000e-03  7.7049000000e-03  3.3083000000e-03 -4.2703000000e-03  6.0690000000e-04  4.2230000000e-04  5.0804000000e-03  2.2391000000e-03 -5.4997000000e-03 -7.7689000000e-03 -1.3855900000e-02  4.6578000000e-03  2.4120000000e-04  6.9711000000e-03 -2.7438000000e-03 -2.0371000000e-03 -3.6661000000e-03
-
-JOB 2
-COORDS -9.3485200000e-01  1.0101320000e+00 -1.2309300000e-01 -3.2024000000e-02  8.2539000000e-01 -3.8194400000e-01 -1.3514060000e+00  1.4969800000e-01 -7.4427000000e-02  8.7385500000e-01 -9.6803900000e-01  8.3468000000e-02  5.0175000000e-01 -7.8237700000e-01  9.4561600000e-01  1.8041030000e+00 -7.6147600000e-01  1.7403700000e-01
-ENERGY -1.526553228650e+02
-FORCES  9.3154000000e-03 -1.3557100000e-02 -3.8685000000e-03 -8.3710000000e-04  5.8314000000e-03  2.5074000000e-03 -2.2920000000e-04  2.4043000000e-03  3.3677000000e-03 -3.1953000000e-03  4.2986000000e-03  4.7195000000e-03  5.3410000000e-04 -5.9590000000e-04 -5.7427000000e-03 -5.5880000000e-03  1.6187000000e-03 -9.8340000000e-04
-
-JOB 3
-COORDS  2.8721300000e-01 -4.8121800000e-01  1.1459850000e+00  1.2029070000e+00 -4.0561200000e-01  1.4143520000e+00  9.1527000000e-02 -1.4152070000e+00  1.2208390000e+00 -2.7541200000e-01  5.5315000000e-01 -1.2055370000e+00 -1.2028690000e+00  4.8137300000e-01 -1.4311550000e+00 -2.2244200000e-01  2.3559900000e-01 -3.0410000000e-01
-ENERGY -1.526592282059e+02
-FORCES  1.7688000000e-03  1.4437000000e-03 -9.4442000000e-03 -4.8362000000e-03 -2.0151000000e-03 -5.6870000000e-04  1.3316000000e-03  4.8454000000e-03 -2.0930000000e-04  2.7304000000e-03 -6.2033000000e-03  1.6141800000e-02  2.6193000000e-03 -1.4596000000e-03  2.6323000000e-03 -3.6138000000e-03  3.3889000000e-03 -8.5519000000e-03
-
-JOB 4
-COORDS -5.4901200000e-01  4.6678500000e-01  1.0331100000e+00 -4.0167400000e-01 -1.5955500000e-01  1.7417860000e+00 -9.6165100000e-01  1.2182300000e+00  1.4588920000e+00  5.3030300000e-01 -5.0960900000e-01 -1.1396200000e+00  2.4894900000e-01 -6.4763000000e-02 -3.4013000000e-01  1.4550370000e+00 -2.7939200000e-01 -1.2296140000e+00
-ENERGY -1.526586430496e+02
-FORCES  2.7892000000e-03 -2.1225000000e-03 -7.2845000000e-03 -4.1420000000e-04  4.4113000000e-03 -3.5304000000e-03  1.8919000000e-03 -4.9121000000e-03  2.0490000000e-04 -5.9396000000e-03  8.2283000000e-03  1.2481500000e-02  4.6297000000e-03 -5.7205000000e-03 -3.8404000000e-03 -2.9570000000e-03  1.1540000000e-04  1.9689000000e-03
-
-JOB 5
-COORDS  1.3477000000e-02 -1.1540050000e+00  6.3372100000e-01  7.7810200000e-01 -1.3144030000e+00  8.0682000000e-02 -6.7122800000e-01 -1.7115040000e+00  2.6411800000e-01  1.4799000000e-02  1.2321250000e+00 -6.2867400000e-01 -1.2622800000e-01  1.5236080000e+00  2.7209200000e-01 -3.9458200000e-01  3.6778400000e-01 -6.6809500000e-01
-ENERGY -1.526542512389e+02
-FORCES  4.4385000000e-03  2.6568000000e-03 -3.8343000000e-03 -5.7022000000e-03  7.2210000000e-04  1.5823000000e-03  2.9490000000e-03  6.6451000000e-03 -7.0740000000e-04 -2.1741000000e-03 -1.2507000000e-02  1.2619500000e-02  6.5520000000e-04  2.2665000000e-03 -3.2186000000e-03 -1.6640000000e-04  2.1650000000e-04 -6.4415000000e-03
-
-JOB 6
-COORDS  6.1068200000e-01 -2.6280500000e-01  1.1386710000e+00  1.5027500000e-01 -1.0999340000e+00  1.1976030000e+00  2.8330200000e-01  2.4397200000e-01  1.8817930000e+00 -5.3805700000e-01  2.9035300000e-01 -1.2575800000e+00 -1.4424600000e+00  1.9605100000e-01 -9.5859000000e-01 -1.3813000000e-02  2.3072300000e-01 -4.5892900000e-01
-ENERGY -1.526587711696e+02
-FORCES -4.4978000000e-03 -6.7590000000e-04 -1.2713000000e-03  9.4480000000e-04  6.1084000000e-03 -1.0524000000e-03  4.1510000000e-04 -3.3092000000e-03 -4.5267000000e-03  5.5667000000e-03 -1.6607000000e-03  1.5302500000e-02  2.6557000000e-03 -5.1890000000e-04  6.1200000000e-05 -5.0845000000e-03  5.6400000000e-05 -8.5133000000e-03
-
-JOB 7
-COORDS  3.4672300000e-01  1.2133780000e+00  3.7392400000e-01 -3.6244600000e-01  1.8109630000e+00  1.3684900000e-01  2.9785000000e-01  1.1493690000e+00  1.3277300000e+00 -3.6266100000e-01 -1.2512240000e+00 -4.2779300000e-01  8.2992000000e-02 -5.1399800000e-01 -1.0513000000e-02  3.4346400000e-01 -1.8440100000e+00 -6.8513700000e-01
-ENERGY -1.526592314959e+02
-FORCES -6.6377000000e-03 -1.6314000000e-03 -2.5017000000e-03  4.0977000000e-03 -1.9176000000e-03  2.8009000000e-03 -3.1530000000e-04 -2.5742000000e-03 -6.1752000000e-03  5.6419000000e-03  1.3369300000e-02  2.6745000000e-03 -1.7134000000e-03 -1.0661000000e-02  1.5609000000e-03 -1.0732000000e-03  3.4148000000e-03  1.6406000000e-03
-
-JOB 8
-COORDS -5.5895000000e-01 -8.4807200000e-01  8.6686600000e-01 -9.5341700000e-01  5.6440000000e-03  1.0451810000e+00 -1.3042510000e+00 -1.4385150000e+00  7.5670800000e-01  6.8140300000e-01  8.5480600000e-01 -9.0139700000e-01  5.9889400000e-01  6.5729000000e-02 -3.6587700000e-01 -1.9309200000e-01  1.2439050000e+00 -8.9176200000e-01
-ENERGY -1.526565306380e+02
-FORCES -2.5033000000e-03  2.6144000000e-03 -2.4066000000e-03  2.6335000000e-03 -3.5035000000e-03 -4.1698000000e-03  2.8271000000e-03  4.1796000000e-03  7.4680000000e-04 -7.5372000000e-03 -9.7683000000e-03  6.2857000000e-03  2.9044000000e-03  6.7941000000e-03 -2.2233000000e-03  1.6756000000e-03 -3.1630000000e-04  1.7672000000e-03
-
-JOB 9
-COORDS -9.9193500000e-01 -2.2523500000e-01 -8.7859800000e-01 -1.6238130000e+00 -7.3705000000e-02 -1.7574500000e-01 -1.0677500000e+00  5.4637100000e-01 -1.4399430000e+00  1.0648520000e+00  2.2601600000e-01  8.3990400000e-01  1.1665650000e+00 -1.3145700000e-01  1.7220040000e+00  3.8127900000e-01 -3.1185400000e-01  4.4033300000e-01
-ENERGY -1.526576126330e+02
-FORCES  2.6135000000e-03  8.3749000000e-03  1.4157000000e-03  5.8098000000e-03 -1.9163000000e-03 -1.5224000000e-03 -1.7379000000e-03 -3.9609000000e-03  2.1729000000e-03 -6.7584000000e-03 -3.7305000000e-03 -7.7736000000e-03 -3.1348000000e-03  4.9570000000e-04 -3.9763000000e-03  3.2078000000e-03  7.3720000000e-04  9.6837000000e-03
-
-JOB 10
-COORDS  4.5769400000e-01 -9.5573900000e-01 -8.3704500000e-01  1.4069260000e+00 -8.4652700000e-01 -8.9416700000e-01  3.2698200000e-01 -1.5272810000e+00 -8.0417000000e-02 -5.7300100000e-01  1.0064080000e+00  8.2023300000e-01  2.2303500000e-01  1.5238650000e+00  6.9859400000e-01 -3.5422300000e-01  1.4332300000e-01  4.6887500000e-01
-ENERGY -1.526532736072e+02
-FORCES  3.3456000000e-03  1.5049000000e-03  2.6778000000e-03 -5.2138000000e-03  4.1100000000e-05  8.8430000000e-04 -1.9315000000e-03  9.8296000000e-03 -1.3708000000e-03  8.1249000000e-03 -6.8539000000e-03 -1.2003100000e-02 -1.9443000000e-03 -7.8070000000e-04  1.3604000000e-03 -2.3809000000e-03 -3.7410000000e-03  8.4513000000e-03
-
-JOB 11
-COORDS -6.7136700000e-01  1.2277810000e+00 -1.4295500000e-01 -4.8420000000e-03  5.4144400000e-01 -1.7323100000e-01 -6.6498200000e-01  1.6074400000e+00 -1.0216190000e+00  6.0642800000e-01 -1.1934730000e+00  1.4085900000e-01  1.7181200000e-01 -1.4590240000e+00  9.5130500000e-01  1.5409520000e+00 -1.2486150000e+00  3.4050200000e-01
-ENERGY -1.526608448786e+02
-FORCES  6.1509000000e-03 -1.0736900000e-02 -1.6626000000e-03 -3.6216000000e-03  1.0235200000e-02 -2.0010000000e-04  1.1447000000e-03 -2.1275000000e-03  2.4573000000e-03 -2.2190000000e-03 -2.3650000000e-04  4.4328000000e-03  3.6993000000e-03  1.2615000000e-03 -4.0949000000e-03 -5.1542000000e-03  1.6041000000e-03 -9.3260000000e-04
-
-JOB 12
-COORDS -7.1622400000e-01  1.2463750000e+00  9.2846000000e-02 -7.8534000000e-02  1.5011420000e+00  7.5968700000e-01 -3.0442400000e-01  5.1393000000e-01 -3.6560500000e-01  6.3645400000e-01 -1.1555520000e+00 -1.1093400000e-01  1.4051210000e+00 -1.4624640000e+00  3.6988500000e-01  2.2419900000e-01 -1.9544640000e+00 -4.3959300000e-01
-ENERGY -1.526580746454e+02
-FORCES  9.1661000000e-03 -1.1113500000e-02  1.7254000000e-03 -1.8641000000e-03  7.5930000000e-04 -1.1924000000e-03 -4.6467000000e-03  4.9920000000e-03 -2.5603000000e-03 -1.1736000000e-03  8.8490000000e-04  2.4827000000e-03 -3.9129000000e-03  5.2450000000e-04 -2.0057000000e-03  2.4313000000e-03  3.9528000000e-03  1.5502000000e-03
-
-JOB 13
-COORDS  6.6639300000e-01  9.1929100000e-01 -7.4770700000e-01  1.5641320000e+00  9.7816800000e-01 -4.2085900000e-01  7.5309600000e-01  5.3259200000e-01 -1.6190150000e+00 -7.3430300000e-01 -8.5128600000e-01  8.2532200000e-01 -1.0471080000e+00 -1.7538660000e+00  7.6421100000e-01 -1.3884100000e-01 -7.5284000000e-01  8.2379000000e-02
-ENERGY -1.526554851119e+02
-FORCES  2.5588000000e-03  1.9856000000e-03  2.1230000000e-04 -4.9371000000e-03 -1.5842000000e-03 -1.9252000000e-03 -1.5580000000e-03 -1.2685000000e-03  6.6080000000e-03  4.4436000000e-03  5.0428000000e-03 -5.8152000000e-03  2.2901000000e-03  4.1475000000e-03 -1.7894000000e-03 -2.7975000000e-03 -8.3231000000e-03  2.7095000000e-03
-
-JOB 14
-COORDS -1.0406490000e+00  8.9618300000e-01  3.2868500000e-01 -4.2645300000e-01  3.4772400000e-01 -1.5936000000e-01 -1.7139250000e+00  1.1297120000e+00 -3.1037300000e-01  1.0435290000e+00 -8.1940700000e-01 -2.9184000000e-01  1.1874040000e+00 -1.6346340000e+00 -7.7239900000e-01  9.5641300000e-01 -1.0915260000e+00  6.2172200000e-01
-ENERGY -1.526611217536e+02
-FORCES  6.7129000000e-03 -5.4650000000e-03 -6.0725000000e-03 -7.5084000000e-03  5.1277000000e-03  5.2157000000e-03  2.7896000000e-03 -1.6474000000e-03  1.0428000000e-03 -1.0461000000e-03 -2.7984000000e-03  2.8950000000e-03 -5.9620000000e-04  3.4425000000e-03  3.0406000000e-03 -3.5180000000e-04  1.3406000000e-03 -6.1216000000e-03
-
-JOB 15
-COORDS  5.5153600000e-01 -4.1815900000e-01 -1.1514090000e+00  7.0452800000e-01 -1.2480570000e+00 -1.6031770000e+00  4.1622600000e-01  2.1666200000e-01 -1.8549170000e+00 -6.1549300000e-01  4.3900400000e-01  1.2090840000e+00 -1.1756000000e-02  8.5172000000e-01  1.8266580000e+00 -6.8107000000e-02 -1.6185000000e-01  7.0353900000e-01
-ENERGY -1.526594048096e+02
-FORCES -3.1581000000e-03  3.8899000000e-03 -1.9977000000e-03 -1.0631000000e-03  4.0578000000e-03  2.3211000000e-03  1.9279000000e-03 -4.3114000000e-03  1.3959000000e-03  6.4580000000e-03 -3.2986000000e-03 -7.3700000000e-03 -1.3697000000e-03 -1.3878000000e-03 -2.8253000000e-03 -2.7951000000e-03  1.0501000000e-03  8.4760000000e-03
-
-JOB 16
-COORDS  6.5762200000e-01  1.2478040000e+00 -3.8858800000e-01 -2.5764000000e-02  5.7766700000e-01 -3.7709700000e-01  8.6962900000e-01  1.3902140000e+00  5.3391100000e-01 -5.7431100000e-01 -1.1817900000e+00  3.1415400000e-01 -8.6055700000e-01 -2.0405750000e+00  3.0510000000e-03 -1.2426860000e+00 -9.2107300000e-01  9.4782000000e-01
-ENERGY -1.526581322649e+02
-FORCES -3.1621000000e-03 -1.0991200000e-02  4.6658000000e-03  3.4930000000e-04  8.3529000000e-03 -4.7260000000e-04 -1.1449000000e-03  5.0420000000e-04 -2.4009000000e-03 -1.0673000000e-03 -2.3719000000e-03 -1.5270000000e-04  8.6660000000e-04  4.1028000000e-03  2.5586000000e-03  4.1585000000e-03  4.0310000000e-04 -4.1982000000e-03
-
-JOB 17
-COORDS  1.0494730000e+00 -2.9112000000e-02 -1.0312800000e+00  1.6168660000e+00 -2.6399000000e-02 -2.6037800000e-01  1.6621500000e-01  8.2174000000e-02 -6.7956600000e-01 -9.7006300000e-01  2.0276000000e-02  9.5451900000e-01 -1.6447240000e+00 -6.1977400000e-01  7.2780300000e-01 -1.4362570000e+00  6.9644300000e-01  1.4461410000e+00
-ENERGY -1.526598340272e+02
-FORCES -6.4606000000e-03  1.1535000000e-03  1.1659800000e-02  5.5550000000e-04  6.8500000000e-05 -3.1520000000e-03  2.5766000000e-03 -1.8320000000e-03 -7.3644000000e-03 -2.3299000000e-03  2.9910000000e-04  1.0453000000e-03  3.7196000000e-03  4.3035000000e-03 -3.5200000000e-05  1.9389000000e-03 -3.9927000000e-03 -2.1536000000e-03
-
-JOB 18
-COORDS -1.0295270000e+00 -3.8207700000e-01  9.1716300000e-01 -1.2483880000e+00  5.4766800000e-01  8.5465100000e-01 -2.9541100000e-01 -4.1510100000e-01  1.5305260000e+00  9.9251100000e-01  3.5987400000e-01 -1.0004460000e+00  3.0791900000e-01 -6.0577000000e-02 -4.8007600000e-01  1.8070110000e+00  1.3921400000e-01 -5.4863800000e-01
-ENERGY -1.526586163730e+02
-FORCES  4.4260000000e-04  5.3045000000e-03  4.3271000000e-03  2.6636000000e-03 -5.8892000000e-03 -1.0583000000e-03 -1.6993000000e-03  9.1700000000e-05 -6.3120000000e-03 -5.6957000000e-03 -6.1113000000e-03  6.3401000000e-03  7.9390000000e-03  5.8540000000e-03 -3.2724000000e-03 -3.6502000000e-03  7.5030000000e-04 -2.4600000000e-05
-
-JOB 19
-COORDS -1.3014410000e+00 -3.8188000000e-01  1.5910700000e-01 -1.5990620000e+00 -7.1972800000e-01  1.0038030000e+00 -1.6874460000e+00 -9.7451900000e-01 -4.8588300000e-01  1.3905590000e+00  3.9569400000e-01 -1.4690400000e-01  1.4549590000e+00  1.3087250000e+00 -4.2700900000e-01  4.6579100000e-01  1.7516100000e-01 -2.5826600000e-01
-ENERGY -1.526612047481e+02
-FORCES  5.2490000000e-04 -2.7946000000e-03  3.5246000000e-03 -4.1520000000e-04  7.9420000000e-04 -4.8368000000e-03  2.4572000000e-03  2.8965000000e-03  3.3527000000e-03 -1.0860000000e-02 -6.2570000000e-04  8.5630000000e-04 -1.0769000000e-03 -2.8768000000e-03  7.8760000000e-04  9.3700000000e-03  2.6063000000e-03 -3.6843000000e-03
-
-JOB 20
-COORDS -1.2643970000e+00 -4.3885200000e-01  3.1935700000e-01 -1.3988700000e+00  2.7561800000e-01  9.4199700000e-01 -2.1212730000e+00 -5.6705300000e-01 -8.7534000000e-02  1.3579030000e+00  4.3743500000e-01 -2.7714400000e-01  5.8740400000e-01 -1.2667500000e-01 -2.1124900000e-01  1.5507450000e+00  4.7181100000e-01 -1.2140870000e+00
-ENERGY -1.526609537685e+02
-FORCES -1.6743000000e-03  3.9893000000e-03  1.8040000000e-04 -3.0550000000e-04 -4.1781000000e-03 -3.3453000000e-03  3.2788000000e-03  1.4533000000e-03  2.4330000000e-03 -8.9690000000e-03 -4.4657000000e-03 -1.8186000000e-03  8.8313000000e-03  3.5445000000e-03 -1.4990000000e-04 -1.1614000000e-03 -3.4330000000e-04  2.7003000000e-03
-
-JOB 21
-COORDS  1.6223700000e-01  5.1897100000e-01  1.3554180000e+00  8.9368900000e-01  8.5971000000e-02  1.7955540000e+00  1.9038600000e-01  1.8548000000e-01  4.5863300000e-01 -1.9417900000e-01 -4.5966400000e-01 -1.2643410000e+00 -8.6779500000e-01 -1.1867000000e-01 -1.8527260000e+00  2.9923900000e-01 -1.0815100000e+00 -1.7992030000e+00
-ENERGY -1.526609578171e+02
-FORCES  3.9840000000e-04 -5.0648000000e-03 -9.2843000000e-03 -1.9450000000e-03  7.1050000000e-04 -2.2228000000e-03  1.9367000000e-03  3.4210000000e-03  9.0145000000e-03 -1.3287000000e-03  7.1630000000e-04 -7.4690000000e-04  3.7682000000e-03 -2.7700000000e-03  1.3812000000e-03 -2.8296000000e-03  2.9870000000e-03  1.8582000000e-03
-
-JOB 22
-COORDS -7.7665000000e-01  6.6905100000e-01 -9.3992300000e-01 -1.1541100000e-01  4.0323600000e-01 -1.5789360000e+00 -9.4560200000e-01  1.5900810000e+00 -1.1383930000e+00  7.9525900000e-01 -7.4543500000e-01  9.6163700000e-01  8.5223500000e-01 -2.3909000000e-01  1.7719460000e+00 -7.8822000000e-02 -5.5543800000e-01  6.2088000000e-01
-ENERGY -1.526590035238e+02
-FORCES  5.3769000000e-03  1.9795000000e-03 -1.2524000000e-03 -4.3706000000e-03  1.4822000000e-03  2.2705000000e-03  1.4034000000e-03 -3.7175000000e-03  2.7490000000e-04 -6.9820000000e-03  7.2616000000e-03 -2.3026000000e-03 -8.7500000000e-05 -1.5332000000e-03 -2.4366000000e-03  4.6597000000e-03 -5.4725000000e-03  3.4463000000e-03
-
-JOB 23
-COORDS  6.0395300000e-01  7.6919100000e-01 -9.6748300000e-01  1.4571200000e+00  9.6768400000e-01 -1.3534080000e+00  1.8364600000e-01  1.6227340000e+00 -8.6242200000e-01 -6.3983800000e-01 -9.0011800000e-01  1.0137280000e+00 -1.1175070000e+00 -7.9464000000e-02  1.1345170000e+00  6.0100000000e-02 -6.8204600000e-01  3.9829000000e-01
-ENERGY -1.526586952355e+02
-FORCES -5.1400000000e-05  3.6701000000e-03 -6.3800000000e-05 -4.2577000000e-03 -6.7860000000e-04  2.0340000000e-03  2.0987000000e-03 -3.9770000000e-03 -1.3880000000e-04  4.0724000000e-03  8.2883000000e-03 -7.6215000000e-03  2.4650000000e-04 -1.9053000000e-03  4.7030000000e-04 -2.1086000000e-03 -5.3975000000e-03  5.3197000000e-03
-
-JOB 24
-COORDS  6.1382200000e-01  1.0105100000e+00 -8.6733100000e-01  4.1171200000e-01  2.1709800000e-01 -3.7146800000e-01  1.4993380000e+00  8.6603900000e-01 -1.2008300000e+00 -6.1120200000e-01 -9.1762400000e-01  8.0627200000e-01 -9.1949100000e-01 -5.9049700000e-01  1.6513620000e+00 -9.5810100000e-01 -1.8081370000e+00  7.5260900000e-01
-ENERGY -1.526612197787e+02
-FORCES -2.0642000000e-03 -7.4101000000e-03  4.6714000000e-03  5.3409000000e-03  6.6441000000e-03 -5.4430000000e-03 -3.0619000000e-03 -6.8650000000e-04  1.5275000000e-03 -2.2757000000e-03  5.4200000000e-04  1.3551000000e-03  8.6180000000e-04 -3.1266000000e-03 -3.5636000000e-03  1.1992000000e-03  4.0370000000e-03  1.4527000000e-03
-
-JOB 25
-COORDS  6.6303800000e-01 -1.2734620000e+00 -4.5228500000e-01 -1.8612700000e-01 -1.3008670000e+00 -8.9319300000e-01  6.8335700000e-01 -4.1786700000e-01 -2.3593000000e-02 -5.6926500000e-01  1.2483230000e+00  4.8964200000e-01 -6.6901600000e-01  1.3155070000e+00 -4.5997300000e-01 -1.2828060000e+00  6.7314900000e-01  7.6580600000e-01
-ENERGY -1.526567533960e+02
-FORCES -4.3910000000e-03  8.1289000000e-03  3.1422000000e-03  1.9459000000e-03  8.7730000000e-04  1.3615000000e-03  1.5583000000e-03 -6.5538000000e-03 -4.5999000000e-03 -5.4691000000e-03 -1.1107000000e-03 -2.1139000000e-03  1.9214000000e-03 -3.2693000000e-03  4.8741000000e-03  4.4346000000e-03  1.9277000000e-03 -2.6640000000e-03
-
-JOB 26
-COORDS -2.4754500000e-01  1.3811000000e+00 -5.4809200000e-01  6.3252900000e-01  1.4825900000e+00 -1.8559800000e-01 -3.8065500000e-01  4.3429100000e-01 -5.9354600000e-01  1.9337000000e-01 -1.3130440000e+00  4.6394400000e-01 -3.8352900000e-01 -1.8257180000e+00  1.0301470000e+00  9.1946500000e-01 -1.0549390000e+00  1.0317460000e+00
-ENERGY -1.526584449143e+02
-FORCES  3.4619000000e-03 -1.0217300000e-02  3.6953000000e-03 -1.9513000000e-03  4.3230000000e-04 -3.7700000000e-04 -1.5245000000e-03  7.2033000000e-03 -3.3489000000e-03  1.1160000000e-04  7.4710000000e-04  5.3542000000e-03  3.0845000000e-03  2.3681000000e-03 -2.3428000000e-03 -3.1823000000e-03 -5.3350000000e-04 -2.9808000000e-03
-
-JOB 27
-COORDS -8.4764300000e-01  1.1416000000e+00  4.0878600000e-01 -3.1259600000e-01  5.4997500000e-01 -1.2030400000e-01 -1.6756810000e+00  1.2065220000e+00 -6.6998000000e-02  8.0310400000e-01 -1.1486910000e+00 -3.4041100000e-01  1.6386740000e+00 -1.3253380000e+00  9.1851000000e-02  9.7465400000e-01 -3.8496900000e-01 -8.9134800000e-01
-ENERGY -1.526521820991e+02
-FORCES  8.4600000000e-05 -7.8584000000e-03 -1.7369000000e-03  2.9212000000e-03  6.0074000000e-03 -5.7497000000e-03  3.6700000000e-03 -6.1030000000e-04  1.3546000000e-03  5.5364000000e-03  1.6320000000e-03  2.3352000000e-03 -3.8547000000e-03  2.6200000000e-04 -2.9026000000e-03 -8.3575000000e-03  5.6730000000e-04  6.6994000000e-03
-
-JOB 28
-COORDS -2.0998200000e-01  4.7287300000e-01  1.4419660000e+00 -6.7089000000e-01 -1.4543100000e-01  8.7496000000e-01  5.7723100000e-01  7.0799600000e-01  9.5080000000e-01  1.6589200000e-01 -4.6122000000e-01 -1.3216940000e+00 -1.2677300000e-01  1.3190500000e-01 -2.0136350000e+00  9.5086600000e-01 -8.7709100000e-01 -1.6782020000e+00
-ENERGY -1.526588749182e+02
-FORCES  2.4210000000e-03 -3.9755000000e-03 -1.0882000000e-02 -1.7995000000e-03  1.8155000000e-03  5.3340000000e-03 -3.6850000000e-04  1.6686000000e-03  4.2408000000e-03  1.1773000000e-03  4.3460000000e-04 -3.7897000000e-03  1.8666000000e-03 -2.8158000000e-03  3.3288000000e-03 -3.2969000000e-03  2.8726000000e-03  1.7681000000e-03
-
-JOB 29
-COORDS  8.0412000000e-02  1.4276400000e+00 -1.2727300000e-01 -6.6684600000e-01  1.9748010000e+00 -3.6904300000e-01  2.3456500000e-01  1.6264200000e+00  7.9628300000e-01 -1.0952300000e-01 -1.4969360000e+00  7.8891000000e-02  6.6199100000e-01 -1.9364560000e+00  4.3641100000e-01  1.8868100000e-01 -6.0818100000e-01 -1.1455100000e-01
-ENERGY -1.526607349505e+02
-FORCES -4.9066000000e-03  2.8572000000e-03  2.3083000000e-03  3.8527000000e-03 -1.2867000000e-03  1.9728000000e-03 -3.4670000000e-04 -1.6039000000e-03 -4.6325000000e-03  2.7746000000e-03  7.4021000000e-03 -1.6290000000e-03 -2.3387000000e-03  2.7819000000e-03 -6.7950000000e-04  9.6470000000e-04 -1.0150700000e-02  2.6599000000e-03
-
-JOB 30
-COORDS  1.6255600000e-01 -8.5322000000e-02 -1.4181130000e+00 -2.6208000000e-02  7.3315700000e-01 -1.8771260000e+00  9.6898000000e-01 -4.0632700000e-01 -1.8216820000e+00 -2.0652100000e-01  1.5850000000e-02  1.5021250000e+00 -3.7417800000e-01  1.6834000000e-02  5.5972300000e-01  2.0518000000e-01  8.6281900000e-01  1.6735220000e+00
-ENERGY -1.526598477420e+02
-FORCES  4.4530000000e-03 -2.5600000000e-04 -2.5006000000e-03  1.2574000000e-03 -3.5209000000e-03  3.3577000000e-03 -3.9282000000e-03  2.5296000000e-03  3.3030000000e-04  2.5822000000e-03  1.8107000000e-03 -9.4378000000e-03 -3.0500000000e-03  1.7564000000e-03  8.6574000000e-03 -1.3144000000e-03 -2.3199000000e-03 -4.0690000000e-04
-
-JOB 31
-COORDS  1.2454650000e+00 -6.0687400000e-01 -6.1585200000e-01  2.9865600000e-01 -4.7243700000e-01 -5.7448500000e-01  1.3846570000e+00 -1.4611060000e+00 -2.0701800000e-01 -1.1952150000e+00  5.9027100000e-01  5.5476500000e-01 -5.4170900000e-01  1.2704630000e+00  7.1755700000e-01 -1.9407520000e+00  8.3795400000e-01  1.1016290000e+00
-ENERGY -1.526603803862e+02
-FORCES -6.8854000000e-03 -2.6572000000e-03  3.2313000000e-03  7.6267000000e-03 -6.8900000000e-05 -2.2297000000e-03 -9.0100000000e-05  2.6914000000e-03 -1.5390000000e-03 -1.5400000000e-04  3.5053000000e-03  3.1537000000e-03 -4.4166000000e-03 -3.3256000000e-03 -1.1397000000e-03  3.9195000000e-03 -1.4490000000e-04 -1.4767000000e-03
-
-JOB 32
-COORDS -6.6537000000e-02 -6.4538900000e-01 -1.3038840000e+00  6.9643300000e-01 -1.2165150000e+00 -1.2148730000e+00 -7.5769200000e-01 -1.2182630000e+00 -1.6360770000e+00  7.6012000000e-02  6.6821600000e-01  1.3695040000e+00 -1.8492000000e-01  2.8282700000e-01  5.3307000000e-01  6.8544000000e-02  1.6122560000e+00  1.2115020000e+00
-ENERGY -1.526619499691e+02
-FORCES  1.4482000000e-03 -5.2392000000e-03 -2.2692000000e-03 -4.5556000000e-03  2.5018000000e-03 -6.1300000000e-04  3.6835000000e-03  2.4354000000e-03  1.7174000000e-03 -1.5489000000e-03 -4.1020000000e-04 -8.8804000000e-03  9.9380000000e-04  3.6733000000e-03  9.6002000000e-03 -2.0900000000e-05 -2.9611000000e-03  4.4500000000e-04
-
-JOB 33
-COORDS -7.0912400000e-01 -9.1750500000e-01  9.2842000000e-01 -1.0784200000e-01 -1.6622430000e+00  9.2082000000e-01 -1.3153610000e+00 -1.0911640000e+00  2.0831500000e-01  6.9972800000e-01  9.3227300000e-01 -9.2878800000e-01  2.0724800000e-01  1.0239320000e+00 -1.1313200000e-01  1.4253210000e+00  1.5504780000e+00 -8.4178900000e-01
-ENERGY -1.526584341326e+02
-FORCES  2.3989000000e-03 -4.8219000000e-03 -5.3930000000e-03 -3.2726000000e-03  2.2151000000e-03  9.4630000000e-04  2.1745000000e-03  1.2760000000e-03  3.7267000000e-03 -1.2728000000e-03 -5.0000000000e-06  6.2681000000e-03  2.6074000000e-03  4.2199000000e-03 -6.1366000000e-03 -2.6354000000e-03 -2.8841000000e-03  5.8840000000e-04
-
-JOB 34
-COORDS -6.1967900000e-01 -1.1503460000e+00 -6.6073100000e-01 -5.9145900000e-01 -1.4193930000e+00 -1.5789080000e+00 -1.5007570000e+00 -7.9577300000e-01 -5.4152200000e-01  6.5527000000e-01  1.1764840000e+00  7.6158200000e-01  1.2925370000e+00  1.3134000000e+00  6.0600000000e-02  4.4481000000e-02  5.2998200000e-01  4.0774100000e-01
-ENERGY -1.526583049929e+02
-FORCES -2.5856000000e-03 -1.7930000000e-03 -4.7577000000e-03 -7.0480000000e-04  1.0741000000e-03  4.3785000000e-03  6.6479000000e-03  7.1010000000e-04  4.8520000000e-04 -1.1360000000e-04 -7.6924000000e-03 -7.1469000000e-03 -1.4108000000e-03  8.1230000000e-04  2.4373000000e-03 -1.8330000000e-03  6.8888000000e-03  4.6036000000e-03
-
-JOB 35
-COORDS  1.2477100000e+00  4.1143800000e-01 -7.7760400000e-01  2.0996900000e+00  4.9887700000e-01 -3.5015200000e-01  6.4958800000e-01  1.6435200000e-01 -7.2316000000e-02 -1.2091950000e+00 -4.1074100000e-01  7.5870800000e-01 -1.2056570000e+00 -5.6290500000e-01 -1.8631300000e-01 -2.1011810000e+00 -1.2223900000e-01  9.5199500000e-01
-ENERGY -1.526593481751e+02
-FORCES -3.8910000000e-04 -1.7280000000e-04  7.1039000000e-03 -3.0453000000e-03 -9.3900000000e-05 -1.2360000000e-03  2.8516000000e-03 -1.2348000000e-03 -8.3893000000e-03 -6.0850000000e-03  1.1851000000e-03 -2.2992000000e-03  3.4052000000e-03  2.5535000000e-03  6.1951000000e-03  3.2625000000e-03 -2.2369000000e-03 -1.3745000000e-03
-
-JOB 36
-COORDS  1.1892700000e-01  1.5009140000e+00 -3.4789800000e-01  1.0380210000e+00  1.6641620000e+00 -5.5967100000e-01  7.7034000000e-02  5.6148300000e-01 -1.6915900000e-01 -1.8654100000e-01 -1.3874410000e+00  3.3694100000e-01 -4.7285200000e-01 -2.1875520000e+00 -1.0360400000e-01  4.6826600000e-01 -1.6829440000e+00  9.6950500000e-01
-ENERGY -1.526610748319e+02
-FORCES  1.1608000000e-03 -8.1326000000e-03  5.3650000000e-04 -2.7129000000e-03 -1.0133000000e-03  1.0602000000e-03  2.4478000000e-03  9.9303000000e-03 -1.1517000000e-03 -1.7860000000e-04 -4.9107000000e-03  2.0430000000e-04  2.0125000000e-03  2.7121000000e-03  3.1324000000e-03 -2.7297000000e-03  1.4143000000e-03 -3.7817000000e-03
-
-JOB 37
-COORDS  9.0391600000e-01 -8.6115200000e-01  7.5180600000e-01  1.4871610000e+00 -1.0873230000e+00  1.4763090000e+00  1.4237090000e+00 -1.0254410000e+00 -3.4995000000e-02 -9.7198700000e-01  9.1559200000e-01 -8.1294300000e-01 -2.7126700000e-01  1.0224030000e+00 -1.6965900000e-01 -1.5956920000e+00  3.2369500000e-01 -3.9237000000e-01
-ENERGY -1.526591001290e+02
-FORCES  4.3877000000e-03 -3.2649000000e-03 -1.4649000000e-03 -2.6272000000e-03  1.1642000000e-03 -3.5987000000e-03 -1.6121000000e-03  1.1465000000e-03  4.6776000000e-03  2.3424000000e-03 -5.1919000000e-03  7.7604000000e-03 -2.7998000000e-03  3.3690000000e-03 -4.7424000000e-03  3.0910000000e-04  2.7771000000e-03 -2.6321000000e-03
-
-JOB 38
-COORDS  1.3282990000e+00 -3.0073500000e-01  7.9098800000e-01  4.6459800000e-01  5.6522000000e-02  5.8454100000e-01  1.5289010000e+00 -8.8245700000e-01  5.7783000000e-02 -1.2968340000e+00  2.4928900000e-01 -7.1191700000e-01 -1.2371110000e+00  1.0979850000e+00 -2.7330600000e-01 -1.2824780000e+00  4.6009200000e-01 -1.6455050000e+00
-ENERGY -1.526573511124e+02
-FORCES -7.1077000000e-03 -2.5873000000e-03 -7.1879000000e-03  4.1078000000e-03  3.7956000000e-03  4.9371000000e-03  1.4256000000e-03  1.6261000000e-03  2.6678000000e-03 -1.2617000000e-03  4.3828000000e-03 -4.4049000000e-03  3.1377000000e-03 -6.2163000000e-03 -5.2010000000e-04 -3.0170000000e-04 -1.0009000000e-03  4.5080000000e-03
-
-JOB 39
-COORDS  7.1141500000e-01  1.1346930000e+00 -8.4483600000e-01 -1.3522800000e-01  6.9213500000e-01 -7.8509200000e-01  1.2334120000e+00  5.7724200000e-01 -1.4218960000e+00 -6.6310200000e-01 -1.0473130000e+00  8.1908500000e-01 -1.1213040000e+00 -6.6034000000e-01  1.5650970000e+00 -7.0699600000e-01 -1.9909270000e+00  9.7367300000e-01
-ENERGY -1.526569969891e+02
-FORCES -2.4590000000e-03 -8.3460000000e-03  1.1242000000e-03  2.4345000000e-03  5.6762000000e-03 -2.8860000000e-03 -1.2560000000e-03  2.4821000000e-03  1.2383000000e-03 -5.9950000000e-04 -2.0294000000e-03  4.7893000000e-03  1.4266000000e-03 -1.9706000000e-03 -3.8118000000e-03  4.5350000000e-04  4.1877000000e-03 -4.5410000000e-04
-
-JOB 40
-COORDS  1.3965720000e+00  4.6248200000e-01 -3.8001200000e-01  1.2756320000e+00  1.1855810000e+00  2.3540000000e-01  1.7394390000e+00  8.7629100000e-01 -1.1721210000e+00 -1.4471830000e+00 -5.8068300000e-01  4.1979300000e-01 -1.7649070000e+00  1.7705500000e-01 -7.1242000000e-02 -4.9791300000e-01 -4.6291400000e-01  4.5512300000e-01
-ENERGY -1.526581620878e+02
-FORCES  2.8759000000e-03  4.4849000000e-03 -3.1096000000e-03 -1.5915000000e-03 -4.6197000000e-03 -2.9441000000e-03 -1.2823000000e-03 -9.4160000000e-04  4.0837000000e-03  6.3081000000e-03  3.3290000000e-03 -4.8679000000e-03  2.6900000000e-05 -2.0210000000e-03  2.2470000000e-03 -6.3371000000e-03 -2.3150000000e-04  4.5909000000e-03
-
-JOB 41
-COORDS -4.4300200000e-01  1.4889560000e+00  1.7790100000e-01  2.5960000000e-02  2.0064920000e+00  8.3247200000e-01  1.0897800000e-01  1.5324690000e+00 -6.0290400000e-01  3.2571100000e-01 -1.5443360000e+00 -1.7005700000e-01  1.1516160000e+00 -2.0078960000e+00 -3.1408000000e-02  5.8219200000e-01 -6.3194500000e-01 -3.0419000000e-01
-ENERGY -1.526535851512e+02
-FORCES  1.7592000000e-03  4.7856000000e-03  6.7050000000e-04 -1.9155000000e-03 -2.7014000000e-03 -3.3693000000e-03 -1.0476000000e-03 -4.3204000000e-03  4.7796000000e-03  2.0758000000e-03  4.0661000000e-03  1.6122000000e-03 -3.3117000000e-03  2.5875000000e-03 -2.6770000000e-04  2.4398000000e-03 -4.4174000000e-03 -3.4253000000e-03
-
-JOB 42
-COORDS -1.9770100000e-01 -1.1200970000e+00 -1.1853970000e+00 -7.6195500000e-01 -1.5987520000e+00 -5.7816000000e-01 -1.6466700000e-01 -2.3105300000e-01 -8.3220900000e-01  2.2099600000e-01  1.1310080000e+00  1.0775790000e+00 -3.2284600000e-01  1.0123560000e+00  1.8562900000e+00  9.5813900000e-01  5.3414700000e-01  1.2064530000e+00
-ENERGY -1.526591215268e+02
-FORCES -3.2466000000e-03  4.6680000000e-03  5.1309000000e-03  2.3361000000e-03  8.9650000000e-04 -1.9350000000e-03  1.3223000000e-03 -6.6752000000e-03 -4.3577000000e-03  1.7857000000e-03 -1.3971000000e-03  6.3006000000e-03  2.5630000000e-03 -6.2500000000e-05 -3.6611000000e-03 -4.7606000000e-03  2.5704000000e-03 -1.4777000000e-03
-
-JOB 43
-COORDS  6.5711300000e-01  1.1029890000e+00  1.0725320000e+00 -1.2033400000e-01  7.0124800000e-01  6.8470200000e-01  1.3882240000e+00  7.4830600000e-01  5.6665800000e-01 -6.2945200000e-01 -1.0283330000e+00 -9.6161100000e-01 -9.0750500000e-01 -1.9393180000e+00 -1.0566080000e+00 -8.4202100000e-01 -6.2359400000e-01 -1.8025820000e+00
-ENERGY -1.526593831729e+02
-FORCES -1.3845000000e-03 -6.5940000000e-03 -5.3480000000e-03  2.5203000000e-03  5.5572000000e-03  3.5227000000e-03 -9.8490000000e-04  2.6924000000e-03  2.2996000000e-03 -2.4471000000e-03 -4.0498000000e-03 -4.1716000000e-03  1.2077000000e-03  4.1190000000e-03 -4.8200000000e-04  1.0885000000e-03 -1.7247000000e-03  4.1794000000e-03
-
-JOB 44
-COORDS -1.5183250000e+00  3.8803900000e-01  4.3965900000e-01 -6.2121400000e-01  1.6587100000e-01  6.8878700000e-01 -1.7657770000e+00  1.0933320000e+00  1.0376240000e+00  1.4268570000e+00 -3.7530600000e-01 -5.0735000000e-01  1.6372490000e+00 -1.2991620000e+00 -6.4320600000e-01  2.1562790000e+00 -3.6906000000e-02  1.1939000000e-02
-ENERGY -1.526574146998e+02
-FORCES  5.4632000000e-03  8.2250000000e-04  9.0690000000e-04 -7.3816000000e-03  1.9726000000e-03  3.3697000000e-03  1.5783000000e-03 -2.5367000000e-03 -2.1702000000e-03  5.4883000000e-03 -3.3397000000e-03 -1.7108000000e-03 -6.3770000000e-04  4.4859000000e-03  1.0407000000e-03 -4.5106000000e-03 -1.4045000000e-03 -1.4362000000e-03
-
-JOB 45
-COORDS -1.1179430000e+00  1.1895200000e-01  1.1855870000e+00 -9.5918900000e-01  4.4754200000e-01  2.0704920000e+00 -3.0155800000e-01  2.8999000000e-01  7.1602100000e-01  1.0614360000e+00 -1.8990700000e-01 -1.1591080000e+00  1.3409830000e+00  7.1970100000e-01 -1.0556770000e+00  8.5630600000e-01 -2.7352000000e-01 -2.0903240000e+00
-ENERGY -1.526570105445e+02
-FORCES  5.0438000000e-03 -3.6720000000e-04 -9.2300000000e-04 -4.4000000000e-06 -9.7790000000e-04 -3.7931000000e-03 -4.2946000000e-03  3.6189000000e-03  5.8385000000e-03  3.1020000000e-04  1.3626000000e-03 -7.0034000000e-03 -3.1249000000e-03 -4.3524000000e-03  2.0562000000e-03  2.0699000000e-03  7.1600000000e-04  3.8249000000e-03
-
-JOB 46
-COORDS  6.6837900000e-01 -1.1692140000e+00  9.2113100000e-01  1.6872600000e-01 -1.9678520000e+00  1.0907040000e+00  6.3670000000e-01 -1.0636480000e+00 -2.9702000000e-02 -6.4932100000e-01  1.1971260000e+00 -8.1738600000e-01 -1.2595130000e+00  1.4793940000e+00 -1.4987250000e+00  1.8147600000e-01  1.0721240000e+00 -1.2760620000e+00
-ENERGY -1.526527562966e+02
-FORCES -5.1509000000e-03 -9.1680000000e-04 -3.7265000000e-03  2.2484000000e-03  2.8304000000e-03 -4.2110000000e-04  3.1381000000e-03 -9.1100000000e-04  2.5257000000e-03  9.4320000000e-04  2.6712000000e-03 -4.0580000000e-03  2.5873000000e-03 -1.5932000000e-03  3.4279000000e-03 -3.7661000000e-03 -2.0807000000e-03  2.2520000000e-03
-
-JOB 47
-COORDS  1.4855800000e+00  1.4250400000e-01  5.5703000000e-01  2.3239180000e+00  1.6293300000e-01  1.0185530000e+00  1.2786340000e+00  1.0628180000e+00  3.9446700000e-01 -1.5393330000e+00 -1.3761000000e-01 -5.6408900000e-01 -6.5722800000e-01 -3.9373600000e-01 -8.3338900000e-01 -2.0038740000e+00 -9.6599100000e-01 -4.4484700000e-01
-ENERGY -1.526574067303e+02
-FORCES  2.5574000000e-03  4.4269000000e-03  2.7891000000e-03 -3.6618000000e-03  3.0620000000e-04 -1.5848000000e-03  1.9341000000e-03 -4.5282000000e-03 -3.0860000000e-04  3.7175000000e-03 -5.3530000000e-03  1.1259000000e-03 -5.8766000000e-03  2.1675000000e-03 -1.2759000000e-03  1.3293000000e-03  2.9806000000e-03 -7.4570000000e-04
-
-JOB 48
-COORDS -6.1617000000e-01  1.2940150000e+00  8.9797200000e-01 -6.6216900000e-01  1.0271220000e+00 -2.0115000000e-02  3.1607300000e-01  1.2576280000e+00  1.1120530000e+00  5.6302500000e-01 -1.2181660000e+00 -8.7530600000e-01 -1.3169700000e-01 -1.7059630000e+00 -4.3298600000e-01  1.2842450000e+00 -1.8429520000e+00 -9.5090100000e-01
-ENERGY -1.526580772709e+02
-FORCES  5.8040000000e-03 -2.7035000000e-03 -4.7816000000e-03 -2.6112000000e-03  2.2439000000e-03  4.3045000000e-03 -3.5783000000e-03  1.4076000000e-03  9.1410000000e-04  3.4610000000e-04 -5.6804000000e-03  1.4902000000e-03  3.1718000000e-03  2.2845000000e-03 -2.7110000000e-03 -3.1324000000e-03  2.4478000000e-03  7.8380000000e-04
-
-JOB 49
-COORDS  9.0067500000e-01 -1.0373860000e+00  9.8837000000e-01  1.7866550000e+00 -8.0971200000e-01  7.0652600000e-01  3.8171600000e-01 -2.5435300000e-01  8.0459800000e-01 -8.8431400000e-01  9.7749300000e-01 -9.0905900000e-01 -5.9654600000e-01  8.0727600000e-01 -1.8059690000e+00 -1.7781320000e+00  1.3070890000e+00 -1.0022670000e+00
-ENERGY -1.526590307475e+02
-FORCES -8.3550000000e-04  5.7551000000e-03 -3.1895000000e-03 -2.9153000000e-03 -1.1270000000e-03  6.9870000000e-04  4.7920000000e-03 -5.0374000000e-03  4.2312000000e-03 -3.5645000000e-03  2.6890000000e-04 -5.2368000000e-03 -1.3725000000e-03  1.4798000000e-03  3.7068000000e-03  3.8958000000e-03 -1.3393000000e-03 -2.1030000000e-04
-
-JOB 50
-COORDS -3.6041300000e-01 -1.4199220000e+00 -7.2323000000e-01 -1.2360930000e+00 -1.7183380000e+00 -9.6892100000e-01 -1.7520600000e-01 -1.8715290000e+00  1.0016600000e-01  4.0682300000e-01  1.4850120000e+00  7.4914600000e-01  1.1349990000e+00  1.1023600000e+00  2.5968800000e-01 -3.3554900000e-01  1.4437250000e+00  1.4630900000e-01
-ENERGY -1.526571299485e+02
-FORCES -2.7086000000e-03 -3.9484000000e-03  3.4116000000e-03  3.5248000000e-03  1.7497000000e-03  1.1951000000e-03 -6.6410000000e-04  1.2770000000e-03 -4.1981000000e-03 -8.6710000000e-04 -4.4506000000e-03 -6.6611000000e-03 -1.2586000000e-03  2.5725000000e-03  3.1071000000e-03  1.9737000000e-03  2.7998000000e-03  3.1455000000e-03
-
-JOB 51
-COORDS  6.9698800000e-01 -1.6197460000e+00 -6.3814300000e-01  6.0639600000e-01 -1.9975620000e+00  2.3666000000e-01  1.5313700000e-01 -8.3233900000e-01 -6.1698300000e-01 -6.8092000000e-01  1.5531610000e+00  5.4224400000e-01  2.0177100000e-01  1.7878390000e+00  8.2862700000e-01 -1.2595320000e+00  2.0909560000e+00  1.0828140000e+00
-ENERGY -1.526580129172e+02
-FORCES -4.1804000000e-03  2.6721000000e-03  3.6737000000e-03  9.5590000000e-04  9.9210000000e-04 -3.1830000000e-03  4.2460000000e-03 -5.2063000000e-03 -1.1590000000e-03  2.1270000000e-04  5.1302000000e-03  3.8726000000e-03 -4.1489000000e-03 -1.6141000000e-03 -1.1940000000e-03  2.9146000000e-03 -1.9741000000e-03 -2.0104000000e-03
-
-JOB 52
-COORDS  1.8337040000e+00 -8.0800000000e-01  3.4150000000e-03  1.7222360000e+00  1.3133900000e-01  1.4986900000e-01  9.6010200000e-01 -1.1766400000e+00  1.3440200000e-01 -1.8362580000e+00  8.0300800000e-01  4.8930000000e-03 -1.4208620000e+00 -2.0151000000e-02  2.6196700000e-01 -1.2712870000e+00  1.1518630000e+00 -6.8455500000e-01
-ENERGY -1.526526087799e+02
-FORCES -2.6605000000e-03  2.0480000000e-03  1.9665000000e-03 -2.1240000000e-04 -4.3993000000e-03 -1.3765000000e-03  2.3463000000e-03  2.5002000000e-03 -9.0380000000e-04  2.5986000000e-03 -1.7029000000e-03 -2.5563000000e-03 -1.6110000000e-04  3.2119000000e-03 -9.4230000000e-04 -1.9108000000e-03 -1.6579000000e-03  3.8124000000e-03
-
-JOB 53
-COORDS  1.1026900000e+00  1.5892310000e+00  4.3432300000e-01  4.3601800000e-01  9.2749800000e-01  6.1841400000e-01  1.0642080000e+00  2.1835990000e+00  1.1836420000e+00 -1.0844840000e+00 -1.5863080000e+00 -4.2969700000e-01 -3.7327200000e-01 -2.1417940000e+00 -7.4882600000e-01 -1.3421650000e+00 -1.0656360000e+00 -1.1904430000e+00
-ENERGY -1.526571545576e+02
-FORCES -3.2250000000e-03 -1.0825000000e-03  4.0863000000e-03  3.7998000000e-03  4.7728000000e-03 -8.0220000000e-04  1.4330000000e-04 -2.2617000000e-03 -2.9202000000e-03  1.2497000000e-03 -1.9243000000e-03 -5.6772000000e-03 -3.2035000000e-03  2.4479000000e-03  1.4822000000e-03  1.2357000000e-03 -1.9522000000e-03  3.8311000000e-03
-
-JOB 54
-COORDS -9.9450000000e-01 -1.2162680000e+00  1.2014820000e+00 -1.8444140000e+00 -1.6358720000e+00  1.3349350000e+00 -4.9716500000e-01 -1.4246380000e+00  1.9923500000e+00  1.0649980000e+00  1.2537580000e+00 -1.2035700000e+00  1.1267850000e+00  1.5288570000e+00 -2.1183020000e+00  1.6677500000e-01  9.3694800000e-01 -1.1083930000e+00
-ENERGY -1.526557275724e+02
-FORCES -7.2040000000e-04 -2.9542000000e-03  4.6446000000e-03  3.4794000000e-03  1.8228000000e-03 -7.1400000000e-04 -2.6297000000e-03  5.1220000000e-04 -3.0582000000e-03 -4.0628000000e-03 -1.1516000000e-03 -2.3946000000e-03 -2.4530000000e-04 -1.0551000000e-03  3.5366000000e-03  4.1789000000e-03  2.8260000000e-03 -2.0144000000e-03
-
-JOB 55
-COORDS -1.0218130000e+00  1.7401490000e+00 -3.4029200000e-01 -3.8590300000e-01  2.2916460000e+00 -7.9603400000e-01 -1.8228270000e+00  2.2637960000e+00 -3.2025200000e-01  1.0380140000e+00 -1.7595770000e+00  3.1336300000e-01  8.2886000000e-01 -1.5766340000e+00  1.2293420000e+00  1.1227940000e+00 -2.7121250000e+00  2.7218200000e-01
-ENERGY -1.526536385613e+02
-FORCES -1.2920000000e-04  4.0634000000e-03 -2.4482000000e-03 -2.9047000000e-03 -1.7948000000e-03  2.0384000000e-03  3.2378000000e-03 -2.2927000000e-03  7.3500000000e-05 -1.4140000000e-03 -2.3826000000e-03  3.7223000000e-03  1.5138000000e-03 -1.4454000000e-03 -3.4398000000e-03 -3.0370000000e-04  3.8520000000e-03  5.3800000000e-05
-
-JOB 56
-COORDS  3.8230500000e-01  2.0719410000e+00 -3.8968400000e-01  1.2042090000e+00  2.1377110000e+00 -8.7587300000e-01  3.7934900000e-01  1.1797780000e+00 -4.2887000000e-02 -4.6539000000e-01 -2.0326410000e+00  4.6686300000e-01  4.0881900000e-01 -2.3538620000e+00  2.4593900000e-01 -7.8744200000e-01 -1.6369570000e+00 -3.4304400000e-01
-ENERGY -1.526548087115e+02
-FORCES  3.4128000000e-03 -3.0200000000e-03  5.5580000000e-04 -3.4456000000e-03 -5.6000000000e-04  1.8275000000e-03  1.5550000000e-04  4.1328000000e-03 -3.0384000000e-03  1.0810000000e-03 -1.9395000000e-03 -4.3206000000e-03 -3.5886000000e-03  2.2442000000e-03  9.4660000000e-04  2.3849000000e-03 -8.5750000000e-04  4.0291000000e-03
-
-JOB 57
-COORDS  1.1672370000e+00  1.3875900000e-01 -1.7353510000e+00  1.9752070000e+00 -3.6673300000e-01 -1.8242080000e+00  4.8780100000e-01 -4.2882700000e-01 -2.0992810000e+00 -1.1587790000e+00 -9.0450000000e-02  1.8254660000e+00 -1.6945870000e+00 -6.1114100000e-01  1.2271170000e+00 -9.0223800000e-01  6.7601000000e-01  1.3126720000e+00
-ENERGY -1.526549163675e+02
-FORCES  1.5959000000e-03 -4.7967000000e-03 -1.9940000000e-03 -3.4316000000e-03  2.1091000000e-03  1.5000000000e-06  2.2673000000e-03  2.5498000000e-03  1.8700000000e-03 -1.3200000000e-04  1.4759000000e-03 -5.1084000000e-03  1.8400000000e-03  1.7150000000e-03  2.3336000000e-03 -2.1396000000e-03 -3.0532000000e-03  2.8972000000e-03
-
-JOB 58
-COORDS -7.6885000000e-01  1.4907760000e+00 -1.4287520000e+00 -5.4006500000e-01  2.3462540000e+00 -1.0653700000e+00 -1.0252260000e+00  9.6807800000e-01 -6.6895600000e-01  8.1231100000e-01 -1.5021300000e+00  1.4096300000e+00  7.6729800000e-01 -2.2334500000e+00  7.9369500000e-01  1.1059000000e-01 -9.1246600000e-01  1.1337410000e+00
-ENERGY -1.526529323595e+02
-FORCES  2.2000000000e-06  2.4600000000e-03  4.2712000000e-03 -1.1858000000e-03 -3.7718000000e-03 -1.5766000000e-03  1.5709000000e-03  8.5990000000e-04 -2.4692000000e-03 -2.4470000000e-03 -1.1632000000e-03 -4.1262000000e-03  1.9300000000e-05  3.0686000000e-03  2.9075000000e-03  2.0405000000e-03 -1.4535000000e-03  9.9340000000e-04
-
-JOB 59
-COORDS -1.1945290000e+00  1.8665300000e+00  2.5597800000e-01 -1.4880390000e+00  1.3198170000e+00 -4.7284800000e-01 -9.7811300000e-01  2.7074630000e+00 -1.4679800000e-01  1.2284080000e+00 -1.9380990000e+00 -1.8115700000e-01  1.5077480000e+00 -1.2188510000e+00 -7.4762200000e-01  4.4706500000e-01 -1.6059010000e+00  2.6086100000e-01
-ENERGY -1.526547219452e+02
-FORCES -1.1405000000e-03  2.5441000000e-03 -4.4815000000e-03  2.0784000000e-03  1.5699000000e-03  3.3107000000e-03 -8.6510000000e-04 -3.7154000000e-03  1.5766000000e-03 -1.7632000000e-03  4.8698000000e-03  4.7450000000e-04 -1.2316000000e-03 -3.1935000000e-03  1.6796000000e-03  2.9220000000e-03 -2.0750000000e-03 -2.5600000000e-03
-
-JOB 60
-COORDS -1.9242450000e+00  1.1392280000e+00  5.6823000000e-02 -1.2896700000e+00  1.5888010000e+00  6.1488300000e-01 -2.0002010000e+00  1.6967210000e+00 -7.1755600000e-01  1.9239180000e+00 -1.2595340000e+00 -2.6579000000e-02  2.3920280000e+00 -4.3169000000e-01 -1.3510700000e-01  1.0044710000e+00 -1.0360730000e+00 -1.7119400000e-01
-ENERGY -1.526550213205e+02
-FORCES  6.7570000000e-04  5.1308000000e-03 -4.8680000000e-04 -2.0312000000e-03 -2.4676000000e-03 -2.8886000000e-03  7.1860000000e-04 -2.5371000000e-03  3.3205000000e-03 -2.5022000000e-03  3.8335000000e-03 -1.2423000000e-03 -1.8920000000e-03 -3.0739000000e-03  5.7730000000e-04  5.0312000000e-03 -8.8580000000e-04  7.1990000000e-04
-
-JOB 61
-COORDS -1.5616720000e+00  1.3606700000e+00 -6.7497100000e-01 -1.6516050000e+00  1.2144440000e+00 -1.6166510000e+00 -2.2404360000e+00  2.0023700000e+00 -4.6584900000e-01  1.5524260000e+00 -1.4389140000e+00  7.1098500000e-01  1.4601250000e+00 -4.8630500000e-01  7.2672100000e-01  2.4936760000e+00 -1.5902750000e+00  7.9683600000e-01
-ENERGY -1.526549761622e+02
-FORCES -3.7666000000e-03  1.5681000000e-03 -3.2057000000e-03  3.8690000000e-04  1.0024000000e-03  3.8722000000e-03  2.8602000000e-03 -2.5488000000e-03 -9.1890000000e-04  2.5612000000e-03  3.9358000000e-03  3.6590000000e-04  1.6913000000e-03 -4.5019000000e-03  2.8470000000e-04 -3.7330000000e-03  5.4440000000e-04 -3.9830000000e-04
-
-JOB 62
-COORDS -6.8420100000e-01  2.7432500000e-01  2.1449570000e+00 -2.2178700000e-01 -4.6511100000e-01  2.5394690000e+00 -3.9937000000e-02  9.8216800000e-01  2.1342410000e+00  6.7523700000e-01 -2.8005700000e-01 -2.2106340000e+00 -5.2324000000e-02  3.4160800000e-01 -2.2311050000e+00  5.4573300000e-01 -7.7448800000e-01 -1.4013140000e+00
-ENERGY -1.526553810265e+02
-FORCES  4.3623000000e-03  3.5740000000e-04  2.9691000000e-03 -1.8851000000e-03  2.9816000000e-03 -2.1885000000e-03 -2.8045000000e-03 -3.2027000000e-03 -3.0700000000e-04 -4.2912000000e-03  4.4970000000e-04  3.5605000000e-03  3.2420000000e-03 -2.2676000000e-03 -3.9970000000e-04  1.3764000000e-03  1.6815000000e-03 -3.6344000000e-03
-
-JOB 63
-COORDS -3.3021300000e-01 -2.1834300000e+00  3.8278800000e-01 -6.0811700000e-01 -1.6985600000e+00  1.1598990000e+00  4.7394000000e-02 -2.9927660000e+00  7.2719800000e-01  3.2830000000e-01  2.1797200000e+00 -3.9564500000e-01 -4.0810700000e-01  2.6845110000e+00 -7.4078600000e-01  9.5338400000e-01  2.1415830000e+00 -1.1195570000e+00
-ENERGY -1.526543156623e+02
-FORCES  5.2210000000e-04 -3.4740000000e-04  4.7642000000e-03  7.7480000000e-04 -2.8754000000e-03 -2.9154000000e-03 -1.4661000000e-03  3.2077000000e-03 -1.5020000000e-03 -3.5110000000e-04  1.1697000000e-03 -4.9103000000e-03  2.9460000000e-03 -1.8959000000e-03  1.5879000000e-03 -2.4257000000e-03  7.4120000000e-04  2.9756000000e-03
-
-JOB 64
-COORDS  2.3069070000e+00  2.8882700000e-01 -3.4653200000e-01  2.6214680000e+00  9.3331800000e-01  2.8743500000e-01  1.6973630000e+00  7.7559300000e-01 -9.0128100000e-01 -2.3009680000e+00 -3.1416300000e-01  2.8784700000e-01 -2.5987110000e+00 -1.2223670000e+00  3.4024100000e-01 -1.8491550000e+00 -1.6147200000e-01  1.1177760000e+00
-ENERGY -1.526548113246e+02
-FORCES -1.4847000000e-03  4.6316000000e-03 -3.1550000000e-04 -1.3978000000e-03 -2.7143000000e-03 -2.3209000000e-03  3.1335000000e-03 -1.7925000000e-03  2.4582000000e-03  9.5150000000e-04 -3.6804000000e-03  3.6509000000e-03  9.3800000000e-04  3.7666000000e-03 -1.4480000000e-04 -2.1405000000e-03 -2.1090000000e-04 -3.3279000000e-03
-
-JOB 65
-COORDS  1.0314160000e+00 -7.1132400000e-01 -1.9853100000e+00  1.0801820000e+00 -1.1929850000e+00 -2.8110560000e+00  1.6182000000e-01 -3.1133400000e-01 -1.9917890000e+00 -9.6352700000e-01  7.2179900000e-01  1.9719050000e+00 -1.5971170000e+00  1.2768260000e+00  2.4265920000e+00 -7.3021800000e-01  4.9669000000e-02  2.6122500000e+00
-ENERGY -1.526544117634e+02
-FORCES -3.7708000000e-03  1.7620000000e-04 -2.7246000000e-03 -1.3870000000e-04  1.8737000000e-03  3.3407000000e-03  3.7512000000e-03 -1.9805000000e-03 -9.5530000000e-04 -1.0426000000e-03 -6.9160000000e-04  4.7621000000e-03  2.5125000000e-03 -2.2760000000e-03 -2.0010000000e-03 -1.3116000000e-03  2.8982000000e-03 -2.4218000000e-03
-
-JOB 66
-COORDS -4.0636100000e-01  2.1281420000e+00 -1.0173440000e+00 -1.0651480000e+00  2.5709020000e+00 -4.8237200000e-01  3.1795000000e-01  2.7516360000e+00 -1.0708190000e+00  4.1736300000e-01 -2.2498980000e+00  9.8129500000e-01  3.8818000000e-02 -1.8153970000e+00  1.7455870000e+00  5.6459400000e-01 -1.5436740000e+00  3.5216700000e-01
-ENERGY -1.526553168492e+02
-FORCES -8.1000000000e-05  5.1888000000e-03  1.3095000000e-03  2.9061000000e-03 -2.0140000000e-03 -2.0091000000e-03 -3.0074000000e-03 -2.7663000000e-03  4.1250000000e-04 -1.1890000000e-03  5.1725000000e-03 -8.0600000000e-05  1.5078000000e-03 -1.9154000000e-03 -2.6725000000e-03 -1.3650000000e-04 -3.6656000000e-03  3.0402000000e-03
-
-JOB 67
-COORDS  3.7563400000e-01 -1.5638330000e+00 -1.9834910000e+00  5.6479000000e-01 -1.4037190000e+00 -1.0589290000e+00  5.1500900000e-01 -7.1688000000e-01 -2.4071390000e+00 -3.9860000000e-01  1.4667170000e+00  1.9079110000e+00  2.1406700000e-01  2.1929320000e+00  2.0240290000e+00 -9.2967100000e-01  1.4711010000e+00  2.7042630000e+00
-ENERGY -1.526551620525e+02
-FORCES  8.3870000000e-04  4.5730000000e-03  2.7460000000e-03 -2.6770000000e-04 -1.2906000000e-03 -4.2753000000e-03 -3.1350000000e-04 -3.4780000000e-03  1.2387000000e-03 -1.6900000000e-04  3.2120000000e-03  4.1837000000e-03 -2.4177000000e-03 -3.1096000000e-03 -6.5570000000e-04  2.3290000000e-03  9.3200000000e-05 -3.2375000000e-03
-
-JOB 68
-COORDS -2.1344000000e-02  1.8018490000e+00  1.9560630000e+00 -5.4512100000e-01  2.6008320000e+00  2.0153500000e+00  8.7936900000e-01  2.0944960000e+00  2.0950100000e+00  2.8411000000e-02 -1.8173000000e+00 -1.9330860000e+00 -3.8703800000e-01 -1.7431180000e+00 -2.7922320000e+00 -6.8852000000e-02 -2.7401630000e+00 -1.6983600000e+00
-ENERGY -1.526534065050e+02
-FORCES  1.7210000000e-03  4.2217000000e-03  3.1360000000e-04  2.0574000000e-03 -3.2310000000e-03 -1.5560000000e-04 -3.7057000000e-03 -1.0672000000e-03 -3.1910000000e-04 -2.3222000000e-03 -3.3082000000e-03 -2.1328000000e-03  1.7582000000e-03 -2.9480000000e-04  3.4078000000e-03  4.9130000000e-04  3.6795000000e-03 -1.1139000000e-03
-
-JOB 69
-COORDS -6.7485500000e-01  2.4613870000e+00 -1.7791700000e+00 -8.6720800000e-01  2.6758630000e+00 -8.6635400000e-01 -1.2281920000e+00  1.7038600000e+00 -1.9694390000e+00  6.6993800000e-01 -2.4090830000e+00  1.7011800000e+00  1.4349880000e+00 -2.9048360000e+00  1.4093600000e+00  7.9016600000e-01 -2.3165000000e+00  2.6462760000e+00
-ENERGY -1.526544463621e+02
-FORCES -2.9074000000e-03 -2.6734000000e-03  3.1961000000e-03  7.1250000000e-04 -5.4850000000e-04 -3.7426000000e-03  2.1043000000e-03  3.2992000000e-03  5.2780000000e-04  3.8402000000e-03 -1.7208000000e-03  2.6064000000e-03 -3.1809000000e-03  1.9664000000e-03  1.2625000000e-03 -5.6870000000e-04 -3.2290000000e-04 -3.8502000000e-03
-
-JOB 70
-COORDS -7.7358400000e-01 -2.9968380000e+00  3.0633600000e-01 -2.0012500000e-01 -3.2712050000e+00 -4.0927400000e-01 -1.6592760000e+00 -3.1221420000e+00 -3.4370000000e-02  8.4540300000e-01  3.0495960000e+00 -2.3150600000e-01  7.4711500000e-01  2.2092150000e+00 -6.7909100000e-01 -5.1001000000e-02  3.3609700000e+00 -1.0605700000e-01
-ENERGY -1.526541677546e+02
-FORCES -1.2497000000e-03 -2.1107000000e-03 -4.1073000000e-03 -2.3999000000e-03  1.3593000000e-03  2.8665000000e-03  3.6629000000e-03  7.1420000000e-04  1.3361000000e-03 -4.1090000000e-03 -2.4622000000e-03 -9.7650000000e-04  4.6910000000e-04  3.6177000000e-03  1.5105000000e-03  3.6266000000e-03 -1.1184000000e-03 -6.2920000000e-04
-
-JOB 71
-COORDS -1.0754010000e+00 -2.9735280000e+00 -5.8596300000e-01 -2.5504400000e-01 -2.7176560000e+00 -1.0075960000e+00 -1.0823420000e+00 -3.9294580000e+00 -6.3475900000e-01  1.0341340000e+00  2.9634090000e+00  5.6612100000e-01  1.7372210000e+00  3.5742490000e+00  7.8697300000e-01  3.1046400000e-01  3.2124410000e+00  1.1410270000e+00
-ENERGY -1.526541863817e+02
-FORCES  3.5001000000e-03 -2.5308000000e-03 -1.9416000000e-03 -3.4247000000e-03 -1.3682000000e-03  1.6592000000e-03 -1.5500000000e-05  3.8412000000e-03  2.2350000000e-04 -3.2500000000e-04  3.4297000000e-03  3.3375000000e-03 -2.8078000000e-03 -2.5089000000e-03 -9.3510000000e-04  3.0729000000e-03 -8.6310000000e-04 -2.3435000000e-03
-
-JOB 72
-COORDS -7.9979700000e-01 -1.8238800000e+00  2.6517660000e+00 -1.5120530000e+00 -2.2699490000e+00  3.1099630000e+00 -1.1760370000e+00 -9.8646900000e-01  2.3808080000e+00  8.5362300000e-01  1.7400960000e+00 -2.6350610000e+00  2.0802600000e-01  2.2245200000e+00 -3.1496200000e+00  1.5987570000e+00  2.3364830000e+00 -2.5620600000e+00
-ENERGY -1.526540051540e+02
-FORCES -4.3409000000e-03  1.7156000000e-03  4.0550000000e-04  2.8897000000e-03  1.7883000000e-03 -1.8083000000e-03  1.3949000000e-03 -3.4608000000e-03  1.4131000000e-03  6.1600000000e-04  4.3137000000e-03 -1.8869000000e-03  2.5604000000e-03 -1.9761000000e-03  2.1817000000e-03 -3.1201000000e-03 -2.3806000000e-03 -3.0510000000e-04
-
-JOB 73
-COORDS  1.3550170000e+00 -2.2076600000e-01  3.3757790000e+00  1.8681980000e+00  4.4166500000e-01  2.9131110000e+00  8.7729500000e-01 -6.7992600000e-01  2.6849920000e+00 -1.3091930000e+00  2.5179900000e-01 -3.2851480000e+00 -2.2340560000e+00  2.7876200000e-01 -3.0399290000e+00 -1.2333500000e+00 -5.1618200000e-01 -3.8514390000e+00
-ENERGY -1.526544130299e+02
-FORCES  1.3980000000e-04  9.2740000000e-04 -4.9015000000e-03 -2.0230000000e-03 -2.6998000000e-03  2.0193000000e-03  1.9025000000e-03  1.7456000000e-03  2.9618000000e-03 -3.5984000000e-03 -2.9309000000e-03 -1.5919000000e-03  3.8533000000e-03 -1.5810000000e-04 -9.0220000000e-04 -2.7420000000e-04  3.1159000000e-03  2.4146000000e-03
-
-JOB 74
-COORDS  8.8545700000e-01 -7.8600900000e-01 -3.4213570000e+00  1.3300620000e+00 -1.0235460000e+00 -2.6076410000e+00  1.3576040000e+00 -1.2659840000e+00 -4.1017490000e+00 -9.4698300000e-01  8.3343900000e-01  3.4743660000e+00 -1.4956950000e+00  1.3228500000e+00  2.8614850000e+00 -3.5809500000e-01  3.2547600000e-01  2.9163190000e+00
-ENERGY -1.526541086608e+02
-FORCES  3.8397000000e-03 -3.0141000000e-03  2.6270000000e-04 -1.9438000000e-03  1.0655000000e-03 -3.1115000000e-03 -1.9336000000e-03  1.9706000000e-03  2.8353000000e-03  2.7900000000e-05  4.7000000000e-06 -4.8455000000e-03  2.2826000000e-03 -2.0162000000e-03  2.5749000000e-03 -2.2729000000e-03  1.9895000000e-03  2.2841000000e-03
-
-JOB 75
-COORDS  1.2197500000e+00  3.2850940000e+00  1.2444870000e+00  1.6181330000e+00  3.1942080000e+00  2.1100870000e+00  4.0464300000e-01  3.7608310000e+00  1.4041990000e+00 -1.1449130000e+00 -3.2857980000e+00 -1.3352810000e+00 -2.0533110000e+00 -2.9927150000e+00 -1.4070210000e+00 -1.1489910000e+00 -3.9031800000e+00 -6.0380700000e-01
-ENERGY -1.526538122957e+02
-FORCES -1.6687000000e-03  1.4626000000e-03  4.1123000000e-03 -1.6413000000e-03  4.0600000000e-04 -3.5026000000e-03  3.3020000000e-03 -1.9218000000e-03 -6.3090000000e-04 -3.6352000000e-03 -1.1487000000e-03  2.7129000000e-03  3.6514000000e-03 -1.2663000000e-03  2.8910000000e-04 -8.1000000000e-06  2.4681000000e-03 -2.9808000000e-03
-
-JOB 76
-COORDS -3.0059300000e-01  3.1310710000e+00  2.4858120000e+00 -9.2452100000e-01  3.6030880000e+00  3.0373060000e+00 -5.9790400000e-01  2.2215730000e+00  2.5113470000e+00  3.6293600000e-01 -3.1427180000e+00 -2.5701370000e+00 -3.0475800000e-01 -3.2011690000e+00 -1.8867630000e+00  9.0304200000e-01 -2.3949050000e+00 -2.3146100000e+00
-ENERGY -1.526540201758e+02
-FORCES -3.8009000000e-03 -1.6044000000e-03  2.4872000000e-03  2.5548000000e-03 -1.9813000000e-03 -2.2748000000e-03  1.2644000000e-03  3.5919000000e-03 -2.3810000000e-04 -4.4330000000e-04  2.8655000000e-03  3.7435000000e-03  2.6894000000e-03  2.4240000000e-04 -2.7273000000e-03 -2.2645000000e-03 -3.1142000000e-03 -9.9050000000e-04
-
-JOB 77
-COORDS  7.6282500000e-01 -6.7993200000e-01  4.0789430000e+00  5.9896700000e-01  5.0616000000e-02  3.4825520000e+00  1.5306760000e+00 -1.1199210000e+00  3.7141870000e+00 -7.6418000000e-01  6.1701100000e-01 -3.9897890000e+00 -5.4907800000e-01  9.5318500000e-01 -4.8598190000e+00 -1.5579520000e+00  1.0897080000e+00 -3.7393580000e+00
-ENERGY -1.526542433151e+02
-FORCES  2.4570000000e-03  1.1236000000e-03 -4.0858000000e-03  6.4260000000e-04 -2.9083000000e-03  2.5348000000e-03 -3.0914000000e-03  1.7947000000e-03  1.5835000000e-03 -2.4442000000e-03  3.2457000000e-03 -2.6532000000e-03 -8.5830000000e-04 -1.3545000000e-03  3.5802000000e-03  3.2943000000e-03 -1.9012000000e-03 -9.5960000000e-04
-
-JOB 78
-COORDS -2.2568000000e-02  1.5301080000e+00  3.9609430000e+00  9.0957000000e-01  1.6186580000e+00  4.1597160000e+00 -4.9347000000e-02  1.3058140000e+00  3.0307780000e+00 -5.3385000000e-02 -1.5373160000e+00 -3.8672290000e+00 -2.6427000000e-01 -1.7472570000e+00 -4.7770000000e+00  7.7314100000e-01 -1.0571120000e+00 -3.9171320000e+00
-ENERGY -1.526541401820e+02
-FORCES  3.6062000000e-03 -6.6470000000e-04 -3.0593000000e-03 -3.7667000000e-03 -3.2310000000e-04 -7.9150000000e-04  1.8660000000e-04  1.0085000000e-03  3.8583000000e-03  2.4374000000e-03  1.0182000000e-03 -4.0538000000e-03  8.9430000000e-04  8.7640000000e-04  3.7278000000e-03 -3.3579000000e-03 -1.9153000000e-03  3.1850000000e-04
-
-JOB 79
-COORDS  1.3783290000e+00 -3.1113030000e+00  2.6451380000e+00  1.1792440000e+00 -3.6757860000e+00  3.3921020000e+00  6.1692100000e-01 -3.1953220000e+00  2.0711770000e+00 -1.3625090000e+00  3.0984140000e+00 -2.6653490000e+00 -1.5824980000e+00  4.0064950000e+00 -2.4574420000e+00 -4.1071300000e-01  3.0992800000e+00 -2.7669210000e+00
-ENERGY -1.526541994276e+02
-FORCES -3.9952000000e-03 -2.6081000000e-03  6.5380000000e-04  8.3560000000e-04  2.2911000000e-03 -3.0215000000e-03  3.1554000000e-03  2.9200000000e-04  2.3808000000e-03  3.0576000000e-03  3.7139000000e-03  4.7710000000e-04  8.6590000000e-04 -3.6958000000e-03 -8.6240000000e-04 -3.9192000000e-03  7.0000000000e-06  3.7230000000e-04
-
-JOB 80
-COORDS -6.3537500000e-01  4.4929260000e+00  1.2005040000e+00 -9.9849000000e-01  5.2843020000e+00  1.5981280000e+00 -9.3935400000e-01  3.7805650000e+00  1.7629720000e+00  6.8281700000e-01 -4.5492430000e+00 -1.2256160000e+00  1.3139080000e+00 -3.8381790000e+00 -1.3367190000e+00 -9.2963000000e-02 -4.2587040000e+00 -1.7051830000e+00
-ENERGY -1.526541848354e+02
-FORCES -2.7203000000e-03  3.9090000000e-04  3.9792000000e-03  1.4758000000e-03 -3.2402000000e-03 -1.6327000000e-03  1.2456000000e-03  2.8705000000e-03 -2.3482000000e-03 -5.5160000000e-04  4.1195000000e-03 -2.4628000000e-03 -2.5839000000e-03 -2.9317000000e-03  4.8120000000e-04  3.1344000000e-03 -1.2090000000e-03  1.9833000000e-03
-
-JOB 81
-COORDS -9.5797500000e-01  1.4334360000e+00 -4.4410660000e+00 -1.4187860000e+00  7.3568300000e-01 -3.9752050000e+00 -1.5176650000e+00  2.2027490000e+00 -4.3355330000e+00  9.6046400000e-01 -1.4014980000e+00  4.4227240000e+00  1.0300940000e+00 -2.3209290000e+00  4.1657600000e+00  1.8644770000e+00 -1.0871920000e+00  4.4370460000e+00
-ENERGY -1.526541627935e+02
-FORCES -4.1813000000e-03  3.1530000000e-04  2.4065000000e-03  1.8901000000e-03  2.8170000000e-03 -1.9491000000e-03  2.2836000000e-03 -3.1313000000e-03 -4.7050000000e-04  4.0339000000e-03 -2.4564000000e-03 -9.8030000000e-04 -3.2120000000e-04  3.7458000000e-03  1.0378000000e-03 -3.7050000000e-03 -1.2903000000e-03 -4.4400000000e-05
-
-JOB 82
-COORDS -2.9448440000e+00  4.4894830000e+00 -2.1079000000e-01 -2.5644960000e+00  3.6178800000e+00 -1.0181600000e-01 -2.2526430000e+00  5.0897440000e+00  6.6297000000e-02  2.8859150000e+00 -4.4383680000e+00  1.3929200000e-01  3.6235660000e+00 -4.6538320000e+00  7.0997400000e-01  2.1470080000e+00 -4.9212320000e+00  5.0955000000e-01
-ENERGY -1.526541448662e+02
-FORCES  4.4216000000e-03 -1.1425000000e-03  1.5244000000e-03 -1.5890000000e-03  3.5735000000e-03 -4.0920000000e-04 -2.8402000000e-03 -2.4218000000e-03 -1.1076000000e-03  2.3400000000e-05 -2.9352000000e-03  3.8071000000e-03 -3.0206000000e-03  9.1110000000e-04 -2.3171000000e-03  3.0048000000e-03  2.0148000000e-03 -1.4975000000e-03
-
-JOB 83
-COORDS -1.0189490000e+00 -5.0809350000e+00 -2.1213580000e+00 -1.1742690000e+00 -4.1365630000e+00 -2.1049950000e+00 -1.9056100000e-01 -5.1798080000e+00 -2.5906430000e+00  1.0303570000e+00  5.0879390000e+00  2.1590460000e+00  9.6884100000e-01  4.6016320000e+00  1.3368820000e+00  3.4709800000e-01  4.7103200000e+00  2.7129340000e+00
-ENERGY -1.526540119453e+02
-FORCES  2.7569000000e-03  3.3854000000e-03 -1.8884000000e-03  6.3210000000e-04 -3.8127000000e-03 -3.4200000000e-05 -3.3912000000e-03  4.3500000000e-04  1.9308000000e-03 -3.0498000000e-03 -3.4886000000e-03 -1.0469000000e-03  2.5610000000e-04  1.9549000000e-03  3.3307000000e-03  2.7959000000e-03  1.5261000000e-03 -2.2920000000e-03
-
-JOB 84
-COORDS  1.2036800000e-01  5.6699870000e+00 -9.1191900000e-01 -8.3450100000e-01  5.6064720000e+00 -9.3249300000e-01  3.7161500000e-01  5.2440330000e+00 -9.2364000000e-02 -3.5424000000e-02 -5.6926450000e+00  8.7494300000e-01 -4.4991100000e-01 -5.3712470000e+00  7.4233000000e-02 -4.6997700000e-01 -5.2122050000e+00  1.5796230000e+00
-ENERGY -1.526540209742e+02
-FORCES -2.8418000000e-03 -1.9428000000e-03  3.2656000000e-03  3.8924000000e-03  2.2510000000e-04  8.4500000000e-05 -1.0508000000e-03  1.7108000000e-03 -3.3516000000e-03 -3.4527000000e-03  3.2331000000e-03 -4.1730000000e-04  1.6814000000e-03 -1.2925000000e-03  3.2899000000e-03  1.7714000000e-03 -1.9336000000e-03 -2.8710000000e-03
-
-JOB 85
-COORDS -3.9079400000e-01  6.3441880000e+00 -3.5567840000e+00 -6.6745000000e-01  5.4675700000e+00 -3.8236830000e+00 -6.0747500000e-01  6.3911100000e+00 -2.6256130000e+00  4.6276000000e-01 -6.2940870000e+00  3.4769750000e+00 -4.8389200000e-01 -6.2306640000e+00  3.3502490000e+00  5.7103300000e-01 -6.4150860000e+00  4.4203030000e+00
-ENERGY -1.526540790735e+02
-FORCES -1.9877000000e-03 -3.4036000000e-03  2.7098000000e-03  1.1133000000e-03  3.5858000000e-03  1.0876000000e-03  8.7140000000e-04 -1.8140000000e-04 -3.7967000000e-03 -3.4068000000e-03 -2.7160000000e-04  3.3448000000e-03  3.8588000000e-03 -2.3630000000e-04  5.0750000000e-04 -4.4890000000e-04  5.0710000000e-04 -3.8531000000e-03
-
-JOB 86
-COORDS  1.6390360000e+00  6.2554950000e+00  3.5735400000e+00  9.4095800000e-01  6.3847910000e+00  2.9315100000e+00  2.3097880000e+00  6.8936800000e+00  3.3305500000e+00 -1.6845780000e+00 -6.2766020000e+00 -3.5589840000e+00 -1.0709030000e+00 -5.7725890000e+00 -3.0245630000e+00 -1.4453580000e+00 -7.1900450000e+00 -3.4020500000e+00
-ENERGY -1.526540985287e+02
-FORCES -1.2400000000e-04  3.1466000000e-03 -3.6082000000e-03  2.8545000000e-03 -5.3470000000e-04  2.6190000000e-03 -2.7302000000e-03 -2.6098000000e-03  9.9100000000e-04  3.4791000000e-03 -1.6714000000e-03  2.8387000000e-03 -2.5033000000e-03 -2.0542000000e-03 -2.1923000000e-03 -9.7610000000e-04  3.7234000000e-03 -6.4810000000e-04
-
-JOB 87
-COORDS -5.5178600000e+00 -5.9999670000e+00 -6.2222400000e-01 -4.5608010000e+00 -6.0015830000e+00 -6.3855500000e-01 -5.7733320000e+00 -6.2855760000e+00 -1.4993750000e+00  5.4622770000e+00  6.0698180000e+00  6.4798700000e-01  6.2976800000e+00  5.6094770000e+00  5.6787100000e-01  4.9262480000e+00  5.5000700000e+00  1.1996140000e+00
-ENERGY -1.526540688482e+02
-FORCES  2.8473000000e-03 -1.1737000000e-03 -3.6549000000e-03 -3.8961000000e-03  1.0000000000e-05  7.3900000000e-05  1.0488000000e-03  1.1643000000e-03  3.5818000000e-03  1.2176000000e-03 -4.1910000000e-03  1.9366000000e-03 -3.4085000000e-03  1.8726000000e-03  3.2070000000e-04  2.1909000000e-03  2.3177000000e-03 -2.2581000000e-03
-
-JOB 88
-COORDS -6.3364230000e+00 -3.0437580000e+00 -5.4584080000e+00 -6.3857680000e+00 -2.4561590000e+00 -4.7044030000e+00 -7.1844360000e+00 -3.4874910000e+00 -5.4727640000e+00  6.3767540000e+00  3.0986100000e+00  5.4264130000e+00  6.5156730000e+00  2.3978340000e+00  6.0634730000e+00  6.3009680000e+00  2.6471710000e+00  4.5857630000e+00
-ENERGY -1.526540832604e+02
-FORCES -3.6709000000e-03  5.9430000000e-04  3.0093000000e-03  2.0810000000e-04 -2.4017000000e-03 -3.0718000000e-03  3.4626000000e-03  1.8069000000e-03  6.1600000000e-05  2.6650000000e-04 -4.7012000000e-03 -8.3840000000e-04 -5.7090000000e-04  2.8594000000e-03 -2.5947000000e-03  3.0460000000e-04  1.8423000000e-03  3.4339000000e-03
-
-JOB 89
-COORDS  3.1151680000e+00 -7.7082260000e+00  3.2316800000e+00  2.2427620000e+00 -8.1020810000e+00  3.2358990000e+00  3.7129720000e+00 -8.4501240000e+00  3.1397550000e+00 -3.0680300000e+00  7.7876850000e+00 -3.2834810000e+00 -2.8842690000e+00  8.1837150000e+00 -2.4316460000e+00 -3.7608670000e+00  7.1510430000e+00 -3.1077070000e+00
-ENERGY -1.526540781023e+02
-FORCES -1.1111000000e-03 -4.6371000000e-03 -3.6490000000e-04  3.5540000000e-03  1.6106000000e-03 -1.3900000000e-05 -2.4420000000e-03  3.0263000000e-03  3.7820000000e-04 -2.0614000000e-03 -9.9450000000e-04  4.1998000000e-03 -7.5690000000e-04 -1.6078000000e-03 -3.4776000000e-03  2.8174000000e-03  2.6024000000e-03 -7.2160000000e-04
-
-JOB 0
-COORDS  6.3544600000e-01 -2.8424600000e-01 -1.0975430000e+00  1.1119040000e+00  5.4245800000e-01 -1.1735700000e+00  1.2702970000e+00 -8.9332000000e-01 -7.2041700000e-01 -6.7616100000e-01  2.7028100000e-01  1.1466280000e+00 -1.5183640000e+00  6.0978100000e-01  8.4386400000e-01 -2.3759800000e-01 -2.8749000000e-02  3.5008800000e-01
-ENERGY -1.526588710800e+02
-FORCES  7.3500000000e-04  3.4639000000e-03  5.8346000000e-03 -3.1836000000e-03 -4.9672000000e-03  1.5495000000e-03 -5.4135000000e-03  4.9373000000e-03  3.5140000000e-04  5.8928000000e-03 -4.2029000000e-03 -1.8027800000e-02  2.7925000000e-03 -4.7500000000e-04 -2.5600000000e-05 -8.2320000000e-04  1.2439000000e-03  1.0318000000e-02
-
-JOB 1
-COORDS -2.7064300000e-01  9.0850900000e-01 -9.6728100000e-01 -1.0599500000e-01  4.2098700000e-01 -1.6016000000e-01 -1.0039170000e+00  1.4855310000e+00 -7.5377300000e-01  2.9855300000e-01 -8.5163900000e-01  8.8166700000e-01  1.1264070000e+00 -1.3260720000e+00  9.5784800000e-01 -3.5984000000e-01 -1.4634160000e+00  1.2110300000e+00
-ENERGY -1.526585358956e+02
-FORCES  3.6234000000e-03 -1.0524400000e-02  1.2225900000e-02 -2.9657000000e-03  6.6598000000e-03 -4.4767000000e-03  1.7563000000e-03 -3.4246000000e-03  1.2545000000e-03 -1.4320000000e-03  4.2691000000e-03 -8.8287000000e-03 -5.0479000000e-03  5.7050000000e-04  7.6690000000e-04  4.0660000000e-03  2.4497000000e-03 -9.4180000000e-04
-
-JOB 2
-COORDS  9.9268500000e-01 -8.4087300000e-01  1.3888300000e-01  4.2915100000e-01 -1.3410460000e+00  7.2921300000e-01  1.6905500000e+00 -5.0440200000e-01  7.0102400000e-01 -1.0468070000e+00  8.8607000000e-01 -2.4769500000e-01 -8.4434200000e-01  9.3324800000e-01  6.8665700000e-01 -4.0745200000e-01  2.6741400000e-01 -6.0085500000e-01
-ENERGY -1.526560014920e+02
-FORCES -3.8085000000e-03  4.4658000000e-03  3.1214000000e-03  2.0870000000e-03  4.6128000000e-03 -2.7695000000e-03 -4.5632000000e-03 -1.6875000000e-03 -1.4448000000e-03  1.4594600000e-02 -8.8125000000e-03  3.6854000000e-03 -1.8337000000e-03  2.8700000000e-05 -3.3610000000e-04 -6.4762000000e-03  1.3927000000e-03 -2.2564000000e-03
-
-JOB 3
-COORDS  1.1661190000e+00 -3.3035300000e-01 -6.2570800000e-01  1.4149900000e+00 -1.2524560000e+00 -6.8911500000e-01  5.2051300000e-01 -3.0403800000e-01  8.0501000000e-02 -1.0737220000e+00  3.6915600000e-01  5.8300200000e-01 -1.5885190000e+00  3.0382900000e-01  1.3873330000e+00 -1.7162030000e+00  5.7013000000e-01 -9.7482000000e-02
-ENERGY -1.526591499882e+02
-FORCES -1.1041500000e-02  1.9744000000e-03  7.2579000000e-03 -2.4209000000e-03  2.7484000000e-03  1.3195000000e-03  7.6242000000e-03 -3.2824000000e-03 -3.0591000000e-03  2.6777000000e-03 -5.5400000000e-04 -6.2565000000e-03  2.1325000000e-03 -1.1130000000e-04 -4.5548000000e-03  1.0279000000e-03 -7.7520000000e-04  5.2929000000e-03
-
-JOB 4
-COORDS -4.8512700000e-01  9.9572000000e-02 -1.1969050000e+00 -1.3535420000e+00 -2.2119900000e-01 -9.5360700000e-01 -6.4446300000e-01  6.8633900000e-01 -1.9361940000e+00  4.9659700000e-01 -9.5186000000e-02  1.2741980000e+00  1.2666200000e+00 -6.6111900000e-01  1.3291150000e+00  4.6413300000e-01  1.7757200000e-01  3.5725700000e-01
-ENERGY -1.526604051494e+02
-FORCES -2.3865000000e-03 -9.2570000000e-04  5.7331000000e-03  3.8238000000e-03  2.5287000000e-03 -3.4286000000e-03 -1.3900000000e-04 -3.0921000000e-03  3.8710000000e-03 -1.9064000000e-03  8.2450000000e-04 -1.3108100000e-02 -2.4285000000e-03  1.7582000000e-03 -1.4501000000e-03  3.0367000000e-03 -1.0936000000e-03  8.3827000000e-03
-
-JOB 5
-COORDS -2.7778900000e-01  9.3285000000e-01  1.0321960000e+00 -4.8071500000e-01  2.3464000000e-01  4.0965600000e-01  5.9856700000e-01  7.2069400000e-01  1.3534760000e+00  2.0563500000e-01 -8.2059500000e-01 -9.9276900000e-01  3.2330800000e-01 -1.6576050000e+00 -5.4354900000e-01  6.5215500000e-01 -9.3370400000e-01 -1.8318510000e+00
-ENERGY -1.526564635719e+02
-FORCES  5.8894000000e-03 -7.8022000000e-03 -1.1223200000e-02 -2.8497000000e-03 -5.5700000000e-04  6.5447000000e-03 -2.3244000000e-03  5.5460000000e-04  6.3990000000e-04  1.2917000000e-03  3.0578000000e-03  2.7900000000e-04 -8.0770000000e-04  5.9134000000e-03 -7.8000000000e-04 -1.1992000000e-03 -1.1665000000e-03  4.5397000000e-03
-
-JOB 6
-COORDS  1.0693580000e+00 -7.2734700000e-01  2.5134900000e-01  1.3538390000e+00 -1.5143380000e+00 -2.1335300000e-01  1.8577710000e+00 -4.1085700000e-01  6.9233800000e-01 -1.1875050000e+00  7.7794900000e-01 -2.3200400000e-01 -7.6055700000e-01  8.6055500000e-01 -1.0847200000e+00 -5.7380500000e-01  2.6632000000e-01  2.9510000000e-01
-ENERGY -1.526592192776e+02
-FORCES -1.0709000000e-03  5.3600000000e-05 -1.4811000000e-03  1.6520000000e-04  4.3958000000e-03  2.0892000000e-03 -3.8454000000e-03 -1.9099000000e-03 -2.6401000000e-03  1.2762300000e-02 -7.4919000000e-03 -4.4800000000e-04 -2.6222000000e-03  9.0610000000e-04  6.6050000000e-04 -5.3890000000e-03  4.0462000000e-03  1.8194000000e-03
-
-JOB 7
-COORDS -9.7819100000e-01  2.6653100000e-01  8.7512600000e-01 -1.0606800000e+00  9.9114500000e-01  1.4950960000e+00 -1.8686270000e+00  1.2204100000e-01  5.5500200000e-01  1.0939240000e+00 -3.2977500000e-01 -9.0288100000e-01  3.9054700000e-01 -2.3998400000e-01 -1.5458670000e+00  7.4603700000e-01  7.5359000000e-02 -1.0848000000e-01
-ENERGY -1.526579264504e+02
-FORCES -2.3957000000e-03 -7.7400000000e-04 -2.3351000000e-03  1.1312000000e-03 -3.5486000000e-03 -3.7710000000e-03  3.8807000000e-03  1.6306000000e-03  1.7775000000e-03 -1.2032500000e-02  3.1894000000e-03  6.5431000000e-03  2.1752000000e-03 -9.9800000000e-04  8.4000000000e-06  7.2411000000e-03  5.0060000000e-04 -2.2229000000e-03
-
-JOB 8
-COORDS  3.5014300000e-01  1.1498670000e+00 -5.9485700000e-01  1.1916940000e+00  1.2985970000e+00 -1.0260220000e+00  9.1651000000e-02  2.0120490000e+00 -2.6919600000e-01 -3.5823300000e-01 -1.2738470000e+00  5.9528800000e-01 -1.2853200000e-01 -4.8865200000e-01  9.8359000000e-02 -1.0463390000e+00 -9.8557200000e-01  1.1949870000e+00
-ENERGY -1.526605528008e+02
-FORCES  1.1597000000e-03 -2.9510000000e-04  2.3259000000e-03 -4.3358000000e-03  5.2160000000e-04  2.2755000000e-03  2.0108000000e-03 -3.5542000000e-03 -2.0460000000e-03  1.2878000000e-03  1.2149300000e-02 -3.9435000000e-03 -1.9769000000e-03 -8.5233000000e-03  2.9484000000e-03  1.8544000000e-03 -2.9840000000e-04 -1.5603000000e-03
-
-JOB 9
-COORDS -2.8397400000e-01  1.3665250000e+00 -3.7821500000e-01 -3.5077400000e-01  4.1670200000e-01 -2.8021000000e-01 -1.1903270000e+00  1.6738790000e+00 -3.6116000000e-01  2.6359300000e-01 -1.3242210000e+00  3.6957600000e-01  7.1790200000e-01 -2.1318890000e+00  1.2976900000e-01  9.5963900000e-01 -7.3405000000e-01  6.5845200000e-01
-ENERGY -1.526606199124e+02
-FORCES -3.6508000000e-03 -7.4565000000e-03  3.6860000000e-04  3.0167000000e-03  8.9548000000e-03  1.8712000000e-03  2.7455000000e-03 -1.6853000000e-03 -2.4330000000e-04  4.6441000000e-03 -1.1041000000e-03 -3.7380000000e-04 -9.6660000000e-04  3.7487000000e-03  2.2776000000e-03 -5.7888000000e-03 -2.4575000000e-03 -3.9001000000e-03
-
-JOB 10
-COORDS -1.0754720000e+00  3.3390600000e-01  7.8939400000e-01 -5.4758400000e-01  8.6798700000e-01  1.3829620000e+00 -1.9273530000e+00  2.6649900000e-01  1.2206550000e+00  1.1103130000e+00 -4.2150000000e-01 -8.3826800000e-01  1.5103250000e+00  2.2676900000e-01 -1.4178970000e+00  3.7637300000e-01  3.9879000000e-02 -4.3244300000e-01
-ENERGY -1.526589312619e+02
-FORCES -1.8003000000e-03 -1.5337000000e-03  2.3163000000e-03 -1.9969000000e-03 -2.4600000000e-03 -5.0353000000e-03  4.2485000000e-03  1.3182000000e-03 -1.7660000000e-04 -7.4404000000e-03  2.6722000000e-03  1.8517000000e-03 -2.1184000000e-03 -1.4187000000e-03  2.8656000000e-03  9.1074000000e-03  1.4220000000e-03 -1.8216000000e-03
-
-JOB 11
-COORDS -1.2486700000e+00 -3.7107700000e-01 -4.2037900000e-01 -1.3550780000e+00 -1.3192880000e+00 -4.9656700000e-01 -1.9595810000e+00 -6.6690000000e-03 -9.4767800000e-01  1.3451480000e+00  3.6432200000e-01  4.7442500000e-01  1.3965710000e+00  1.3171180000e+00  3.9848700000e-01  4.4799600000e-01  1.5118200000e-01  2.1767300000e-01
-ENERGY -1.526611406064e+02
-FORCES -1.6720000000e-04 -6.4740000000e-04 -1.9076000000e-03 -1.9620000000e-04  5.0082000000e-03 -1.1120000000e-04  2.4713000000e-03 -2.9521000000e-03  2.2169000000e-03 -1.0394500000e-02  5.4710000000e-04 -3.8529000000e-03 -4.5850000000e-04 -2.5628000000e-03 -3.0400000000e-05  8.7451000000e-03  6.0700000000e-04  3.6851000000e-03
-
-JOB 12
-COORDS  4.2724200000e-01 -1.0919580000e+00 -7.3791600000e-01  7.1863800000e-01 -1.9666200000e+00 -4.8045500000e-01  1.1277340000e+00 -7.6151300000e-01 -1.3003640000e+00 -4.4984400000e-01  1.1708200000e+00  8.0145700000e-01 -1.2656810000e+00  1.3706650000e+00  3.4243300000e-01 -2.7559700000e-01  2.5306800000e-01  5.9264500000e-01
-ENERGY -1.526608639925e+02
-FORCES  4.4597000000e-03  8.9310000000e-04 -2.2210000000e-03 -1.0944000000e-03  4.6838000000e-03 -8.8920000000e-04 -3.0800000000e-03 -3.2733000000e-03  2.1892000000e-03  4.6000000000e-06 -8.5550000000e-03 -6.5285000000e-03  2.5190000000e-03 -1.9410000000e-04  1.3372000000e-03 -2.8089000000e-03  6.4455000000e-03  6.1123000000e-03
-
-JOB 13
-COORDS  1.1127440000e+00  7.4354800000e-01  5.8867300000e-01  1.0494250000e+00  1.1400600000e-01  1.3069340000e+00  3.3263400000e-01  1.2907070000e+00  6.7965300000e-01 -1.0896420000e+00 -6.8373100000e-01 -6.5059500000e-01 -1.4856820000e+00 -1.5498560000e+00 -7.4657400000e-01 -2.4064900000e-01 -8.5201600000e-01 -2.4178900000e-01
-ENERGY -1.526568242209e+02
-FORCES -5.5484000000e-03  3.2967000000e-03  2.9134000000e-03 -1.0535000000e-03 -2.3700000000e-05 -6.1303000000e-03  4.9677000000e-03 -2.5119000000e-03  5.6640000000e-04  5.4166000000e-03 -9.2200000000e-04  1.6840000000e-04  3.0073000000e-03  3.3644000000e-03  1.2931000000e-03 -6.7897000000e-03 -3.2035000000e-03  1.1890000000e-03
-
-JOB 14
-COORDS -3.7716200000e-01 -1.1971600000e+00 -6.8783800000e-01 -6.1321900000e-01 -1.1338110000e+00  2.3763200000e-01 -1.1615830000e+00 -1.5445860000e+00 -1.1123520000e+00  4.9080900000e-01  1.2269250000e+00  6.3082100000e-01 -9.3409000000e-02  4.8217300000e-01  4.8846900000e-01  6.8120000000e-02  1.7345370000e+00  1.3235670000e+00
-ENERGY -1.526498664289e+02
-FORCES -3.8542000000e-03 -2.2754000000e-03  6.9540000000e-04  2.8347000000e-03  9.9206000000e-03 -4.0390000000e-03  4.2425000000e-03  1.5181000000e-03  2.2170000000e-03 -3.3805000000e-03 -2.3498000000e-03 -2.8577000000e-03 -7.8190000000e-04 -3.4663000000e-03  7.2688000000e-03  9.3930000000e-04 -3.3471000000e-03 -3.2846000000e-03
-
-JOB 15
-COORDS -3.0064100000e-01  1.3453170000e+00  5.7801800000e-01  5.5815600000e-01  1.5787990000e+00  9.3042000000e-01 -1.6423300000e-01  4.9726100000e-01  1.5561400000e-01  2.5484100000e-01 -1.2591990000e+00 -5.2883000000e-01 -1.4214000000e-02 -2.1559640000e+00 -3.2969400000e-01  3.4314800000e-01 -1.2411440000e+00 -1.4817760000e+00
-ENERGY -1.526616204740e+02
-FORCES  4.3441000000e-03 -9.3833000000e-03 -2.0509000000e-03 -2.4439000000e-03 -5.1930000000e-04 -1.1295000000e-03 -1.4345000000e-03  9.6218000000e-03  1.4247000000e-03 -1.7523000000e-03 -3.0425000000e-03 -7.7930000000e-04  1.9884000000e-03  3.5013000000e-03 -2.5233000000e-03 -7.0190000000e-04 -1.7800000000e-04  5.0583000000e-03
-
-JOB 16
-COORDS -4.5809900000e-01  1.7839300000e-01  1.4239340000e+00 -6.3163000000e-02  1.2575900000e-01  5.5359700000e-01 -1.3184730000e+00 -2.2856300000e-01  1.3220680000e+00  4.8365400000e-01 -1.1814200000e-01 -1.3077420000e+00  7.8102000000e-01  1.6499100000e-01 -2.1724040000e+00  1.8692700000e-01 -1.0186740000e+00 -1.4389960000e+00
-ENERGY -1.526597907205e+02
-FORCES  7.9370000000e-04  2.6130000000e-04 -9.1089000000e-03 -3.5276000000e-03 -2.7909000000e-03  8.0355000000e-03  2.9525000000e-03  4.4330000000e-04 -8.3200000000e-05  8.8880000000e-04  7.1900000000e-05 -3.4036000000e-03 -1.6892000000e-03 -3.0910000000e-03  2.9774000000e-03  5.8180000000e-04  5.1054000000e-03  1.5827000000e-03
-
-JOB 17
-COORDS -9.5750300000e-01 -5.0411500000e-01 -9.1258700000e-01 -1.2147060000e+00 -7.3333300000e-01 -1.8056360000e+00 -1.0227250000e+00 -1.3256570000e+00 -4.2571200000e-01  9.8962400000e-01  5.8974200000e-01  9.9230700000e-01  2.3237300000e-01  7.5598300000e-01  4.3091000000e-01  1.4729440000e+00 -1.0429700000e-01  5.4403900000e-01
-ENERGY -1.526595312095e+02
-FORCES -1.5220000000e-03 -3.7619000000e-03 -8.5340000000e-04  1.4246000000e-03  6.6000000000e-06  4.3293000000e-03  8.7910000000e-04  3.6950000000e-03 -3.2066000000e-03 -4.2726000000e-03 -3.1590000000e-03 -8.9613000000e-03  3.7103000000e-03  2.0676000000e-03  5.7145000000e-03 -2.1930000000e-04  1.1517000000e-03  2.9775000000e-03
-
-JOB 18
-COORDS -6.9526800000e-01 -4.5976200000e-01  1.1326380000e+00 -9.0464700000e-01 -1.3982100000e-01  2.0101520000e+00 -1.1473040000e+00 -1.3011550000e+00  1.0697710000e+00  7.7100500000e-01  5.4680000000e-01 -1.1901430000e+00  3.2565200000e-01  2.0853500000e-01 -4.1331000000e-01  5.9222700000e-01 -1.0197600000e-01 -1.8708480000e+00
-ENERGY -1.526609233614e+02
-FORCES -1.6653000000e-03 -3.1020000000e-04  2.8001000000e-03 -3.7300000000e-05 -2.9195000000e-03 -3.5633000000e-03  1.9685000000e-03  4.0186000000e-03  5.6250000000e-04 -5.2733000000e-03 -4.6892000000e-03  6.0852000000e-03  4.7916000000e-03  2.3891000000e-03 -8.2474000000e-03  2.1570000000e-04  1.5112000000e-03  2.3629000000e-03
-
-JOB 19
-COORDS -8.1660200000e-01 -8.2316300000e-01  9.1385200000e-01 -1.1985140000e+00 -1.6096400000e-01  1.4899320000e+00 -1.4557620000e+00 -9.2520600000e-01  2.0866200000e-01  8.6330800000e-01  8.3799700000e-01 -9.6896600000e-01  4.3210600000e-01  9.1166600000e-01 -1.1757300000e-01  1.4312910000e+00  7.2131000000e-02 -8.8484500000e-01
-ENERGY -1.526571987886e+02
-FORCES -5.2306000000e-03  2.4370000000e-04 -2.4636000000e-03  3.5796000000e-03 -1.3140000000e-03 -4.0873000000e-03  2.6490000000e-03  4.6500000000e-04  4.1773000000e-03 -1.5617000000e-03 -7.5859000000e-03  7.6253000000e-03  1.1118000000e-03  4.9339000000e-03 -3.0783000000e-03 -5.4810000000e-04  3.2573000000e-03 -2.1735000000e-03
-
-JOB 20
-COORDS -7.4800100000e-01  1.3214940000e+00  1.8278300000e-01 -6.3013800000e-01  3.7958600000e-01  5.9696000000e-02 -9.0611400000e-01  1.6607190000e+00 -6.9821600000e-01  6.8744300000e-01 -1.2763860000e+00 -1.3871000000e-01  1.3563230000e+00 -1.4482340000e+00 -8.0150800000e-01  1.1606140000e+00 -1.3052080000e+00  6.9286100000e-01
-ENERGY -1.526601838166e+02
-FORCES  2.9496000000e-03 -7.2262000000e-03 -4.7784000000e-03 -4.7736000000e-03  7.3776000000e-03  2.6743000000e-03  6.6470000000e-04 -9.4030000000e-04  2.6293000000e-03  5.8708000000e-03  8.0060000000e-04  3.8980000000e-04 -2.4401000000e-03  2.4350000000e-04  3.2941000000e-03 -2.2714000000e-03 -2.5510000000e-04 -4.2091000000e-03
-
-JOB 21
-COORDS -3.2536000000e-01 -8.3812200000e-01 -1.2654690000e+00 -5.1449100000e-01 -1.5755000000e+00 -6.8518000000e-01 -3.7385400000e-01 -6.8207000000e-02 -6.9880200000e-01  3.2908100000e-01  7.7955500000e-01  1.2348450000e+00  1.1325580000e+00  9.7892200000e-01  7.5431500000e-01 -2.6430000000e-01  1.4990250000e+00  1.0192200000e+00
-ENERGY -1.526574732293e+02
-FORCES -1.2400000000e-05  8.9590000000e-04  1.0530200000e-02  2.9320000000e-04  1.3197000000e-03 -3.4727000000e-03 -7.3310000000e-04  5.2900000000e-04 -6.8908000000e-03  3.7222000000e-03  4.2215000000e-03  1.7610000000e-04 -5.6199000000e-03 -1.1023000000e-03  1.4283000000e-03  2.3499000000e-03 -5.8637000000e-03 -1.7712000000e-03
-
-JOB 22
-COORDS -1.9857600000e-01 -1.5147050000e+00  3.6305000000e-02  3.8138600000e-01 -2.1493240000e+00 -3.8456800000e-01  2.5292000000e-01 -6.7619900000e-01 -6.0080000000e-02  1.4089600000e-01  1.4486910000e+00 -4.7236000000e-02 -5.1956700000e-01  2.1413190000e+00 -6.4173000000e-02  6.8755400000e-01  1.6568330000e+00  7.1044100000e-01
-ENERGY -1.526594632080e+02
-FORCES  2.3030000000e-03  5.8075000000e-03 -2.5739000000e-03 -1.5912000000e-03  3.0970000000e-03  1.4252000000e-03  1.7117000000e-03 -9.2584000000e-03  2.0510000000e-03 -4.0459000000e-03  4.2574000000e-03  2.2419000000e-03  3.9629000000e-03 -1.5883000000e-03  7.1250000000e-04 -2.3406000000e-03 -2.3151000000e-03 -3.8566000000e-03
-
-JOB 23
-COORDS  1.1876220000e+00 -6.2826500000e-01  6.5096300000e-01  1.3016550000e+00 -1.4457300000e-01  1.4690520000e+00  6.8916900000e-01 -1.4066190000e+00  8.9984500000e-01 -1.1788800000e+00  7.1730100000e-01 -7.2912300000e-01 -3.3535500000e-01  2.8479200000e-01 -5.9633300000e-01 -1.8239480000e+00  1.4500000000e-02 -6.5044200000e-01
-ENERGY -1.526595748583e+02
-FORCES -4.1480000000e-04 -4.7420000000e-04  6.9327000000e-03 -3.0370000000e-04 -3.1680000000e-03 -3.6532000000e-03  1.0558000000e-03  4.4019000000e-03 -2.2601000000e-03  5.5807000000e-03 -5.6347000000e-03  2.6045000000e-03 -8.3132000000e-03  2.9504000000e-03 -3.9614000000e-03  2.3953000000e-03  1.9247000000e-03  3.3760000000e-04
-
-JOB 24
-COORDS -3.0452800000e-01  1.3955250000e+00 -5.3484600000e-01 -1.0998630000e+00  1.9217940000e+00 -4.5289300000e-01 -3.8555000000e-01  7.3016700000e-01  1.4850300000e-01  3.6169900000e-01 -1.3167880000e+00  4.8503700000e-01 -4.1469900000e-01 -1.8762420000e+00  5.0621600000e-01  1.0982640000e+00 -1.9280410000e+00  4.9375500000e-01
-ENERGY -1.526578841606e+02
-FORCES -1.4750000000e-04 -4.3162000000e-03  3.8487000000e-03  2.6093000000e-03 -3.0791000000e-03  2.5400000000e-05 -4.1112000000e-03  7.1291000000e-03 -2.5783000000e-03  2.4806000000e-03 -4.5878000000e-03 -1.7648000000e-03  3.0618000000e-03  3.5180000000e-03  3.6590000000e-04 -3.8930000000e-03  1.3359000000e-03  1.0310000000e-04
-
-JOB 25
-COORDS -1.1198530000e+00  7.6269000000e-01  8.1051300000e-01 -1.5667650000e+00  4.2400800000e-01  3.4758000000e-02 -2.4182600000e-01  3.8410500000e-01  7.6608500000e-01  1.0372400000e+00 -7.3819400000e-01 -7.8312900000e-01  1.4968120000e+00 -9.9921500000e-01  1.4927000000e-02  1.6415040000e+00 -1.4053400000e-01 -1.2234700000e+00
-ENERGY -1.526576127030e+02
-FORCES  4.4336000000e-03 -5.7164000000e-03 -7.9959000000e-03 -1.0174000000e-03  2.3853000000e-03  3.2727000000e-03 -1.5206000000e-03  2.2659000000e-03  5.8185000000e-03  5.4776000000e-03  3.4770000000e-04 -1.1567000000e-03 -4.3887000000e-03  3.6547000000e-03 -2.5502000000e-03 -2.9844000000e-03 -2.9371000000e-03  2.6116000000e-03
-
-JOB 26
-COORDS  7.6502500000e-01 -8.5919300000e-01  1.0374200000e+00  6.6257100000e-01 -4.9861500000e-01  1.9181690000e+00  4.3896700000e-01 -1.7135900000e-01  4.5707400000e-01 -7.6002800000e-01  7.4336500000e-01 -1.0201500000e+00 -6.5025100000e-01  1.6413670000e+00 -7.0746200000e-01 -5.3526300000e-01  7.8375700000e-01 -1.9497100000e+00
-ENERGY -1.526591952929e+02
-FORCES -5.0053000000e-03  4.6940000000e-03 -3.5063000000e-03  7.7300000000e-05 -3.1920000000e-04 -3.4625000000e-03  5.9459000000e-03 -2.3235000000e-03  8.0432000000e-03 -7.0280000000e-04  3.0409000000e-03 -5.7242000000e-03  1.1295000000e-03 -5.8021000000e-03  7.4400000000e-05 -1.4446000000e-03  7.0990000000e-04  4.5754000000e-03
-
-JOB 27
-COORDS -1.0303700000e-01 -7.4235100000e-01  1.2632210000e+00  2.6519500000e-01 -1.5088120000e+00  1.7027370000e+00 -8.5654600000e-01 -4.9682200000e-01  1.8000360000e+00  1.8151300000e-01  7.7381600000e-01 -1.3519920000e+00 -1.5525000000e-02  9.5610200000e-01 -4.3320000000e-01 -6.7344200000e-01  6.2464700000e-01 -1.7557650000e+00
-ENERGY -1.526554436995e+02
-FORCES  6.0470000000e-04 -4.4523000000e-03  3.1081000000e-03 -2.4042000000e-03  3.2252000000e-03 -1.3665000000e-03  3.3769000000e-03  2.2990000000e-04 -3.8411000000e-03 -3.6349000000e-03 -3.8847000000e-03  6.1472000000e-03 -7.5900000000e-04  3.9449000000e-03 -5.1708000000e-03  2.8165000000e-03  9.3700000000e-04  1.1230000000e-03
-
-JOB 28
-COORDS  4.3670000000e-01  8.4554300000e-01  1.2282120000e+00 -6.9535000000e-02  1.3596380000e+00  1.8572300000e+00  1.7289400000e-01 -6.0094000000e-02  1.3908790000e+00 -3.2824400000e-01 -8.5127100000e-01 -1.2796190000e+00 -6.2473000000e-01 -1.7975600000e-01 -6.6529400000e-01 -1.1000440000e+00 -1.0486590000e+00 -1.8102740000e+00
-ENERGY -1.526570470993e+02
-FORCES  3.5500000000e-04 -1.6071000000e-03  5.9332000000e-03  1.8286000000e-03 -2.6456000000e-03 -3.4529000000e-03 -1.2534000000e-03  5.9134000000e-03 -2.7348000000e-03 -2.6170000000e-03  4.4590000000e-03 -2.0700000000e-05 -1.2292000000e-03 -7.4064000000e-03 -2.2835000000e-03  2.9159000000e-03  1.2867000000e-03  2.5588000000e-03
-
-JOB 29
-COORDS -7.3685500000e-01 -8.9812100000e-01 -9.7690300000e-01 -1.4741810000e+00 -1.5039660000e+00 -1.0512930000e+00 -8.0093000000e-01 -3.4534500000e-01 -1.7557250000e+00  8.2456500000e-01  8.9498200000e-01  1.0595400000e+00  4.1803400000e-01  1.6983000000e+00  7.3451200000e-01  3.4886200000e-01  1.9034200000e-01  6.1974400000e-01
-ENERGY -1.526602111315e+02
-FORCES -3.7199000000e-03 -1.6311000000e-03 -4.4284000000e-03  3.1780000000e-03  3.0273000000e-03 -6.5440000000e-04 -2.9660000000e-04 -2.2525000000e-03  4.0075000000e-03 -5.5216000000e-03 -2.7091000000e-03 -4.9467000000e-03  1.6400000000e-03 -2.1449000000e-03  7.7110000000e-04  4.7202000000e-03  5.7103000000e-03  5.2508000000e-03
-
-JOB 30
-COORDS  1.0464320000e+00 -8.4659000000e-01 -9.3434100000e-01  3.6560600000e-01 -1.9259900000e-01 -7.7621500000e-01  1.8506480000e+00 -4.3806500000e-01 -6.1406700000e-01 -1.0629550000e+00  7.5022400000e-01  8.6053000000e-01 -1.0423980000e+00  5.3523600000e-01  1.7930480000e+00 -8.8441200000e-01  1.6900240000e+00  8.2692100000e-01
-ENERGY -1.526583099816e+02
-FORCES -2.8021000000e-03  5.2355000000e-03  4.5967000000e-03  5.8779000000e-03 -2.6470000000e-03 -5.2803000000e-03 -2.4400000000e-03 -1.3893000000e-03 -1.1533000000e-03 -6.9150000000e-04  1.5282000000e-03  6.4164000000e-03 -4.3190000000e-04  2.1824000000e-03 -3.8775000000e-03  4.8760000000e-04 -4.9097000000e-03 -7.0210000000e-04
-
-JOB 31
-COORDS  1.3771980000e+00  5.0632000000e-01 -5.9359500000e-01  2.3171660000e+00  6.7830500000e-01 -6.4940100000e-01  1.2494230000e+00  1.5490000000e-01  2.8754600000e-01 -1.3814690000e+00 -5.3217600000e-01  5.9327700000e-01 -1.3364820000e+00 -6.5120700000e-01 -3.5542700000e-01 -2.0395960000e+00  1.5151900000e-01  7.1842400000e-01
-ENERGY -1.526586065116e+02
-FORCES  1.9831000000e-03 -1.0087000000e-03  4.5707000000e-03 -3.8844000000e-03 -7.1440000000e-04  7.7690000000e-04  3.9322000000e-03  2.0292000000e-03 -4.9265000000e-03 -2.8746000000e-03  3.0334000000e-03 -5.0043000000e-03 -1.4867000000e-03 -4.0070000000e-04  4.9318000000e-03  2.3304000000e-03 -2.9388000000e-03 -3.4850000000e-04
-
-JOB 32
-COORDS -3.1961900000e-01 -1.0158260000e+00 -1.1219700000e+00  2.7593200000e-01 -1.1388650000e+00 -1.8611670000e+00 -5.3126900000e-01 -1.9037830000e+00 -8.3392600000e-01  3.5898800000e-01  1.0933920000e+00  1.1563270000e+00 -3.5739200000e-01  1.3955710000e+00  1.7146460000e+00 -6.0336000000e-02  5.1327700000e-01  5.2082400000e-01
-ENERGY -1.526607052203e+02
-FORCES  2.8003000000e-03 -4.9693000000e-03 -3.5800000000e-03 -3.1696000000e-03 -5.7010000000e-04  2.9818000000e-03  8.7400000000e-04  4.0497000000e-03 -1.4501000000e-03 -4.2617000000e-03 -3.1156000000e-03 -3.5490000000e-03  2.2345000000e-03 -1.5418000000e-03 -2.0164000000e-03  1.5225000000e-03  6.1472000000e-03  7.6138000000e-03
-
-JOB 33
-COORDS  9.0167900000e-01  7.9865900000e-01  9.9337700000e-01  1.6202750000e+00  1.1010190000e+00  4.3801200000e-01  6.8697200000e-01  1.5541550000e+00  1.5405130000e+00 -9.9052500000e-01 -8.4476700000e-01 -9.9351900000e-01 -2.7267400000e-01 -3.8076800000e-01 -5.6267600000e-01 -5.6723200000e-01 -1.5739530000e+00 -1.4466670000e+00
-ENERGY -1.526592968172e+02
-FORCES  1.5190000000e-03  6.2665000000e-03  3.3034000000e-03 -4.3339000000e-03 -2.3803000000e-03  1.4805000000e-03  2.3007000000e-03 -3.0331000000e-03 -2.3120000000e-03  5.1442000000e-03  6.8430000000e-04  3.4701000000e-03 -3.6639000000e-03 -4.4710000000e-03 -7.5378000000e-03 -9.6600000000e-04  2.9336000000e-03  1.5958000000e-03
-
-JOB 34
-COORDS  4.8958200000e-01  1.2684600000e+00 -7.5968500000e-01  1.9428400000e-01  1.0903310000e+00 -1.6526020000e+00  1.0025030000e+00  2.0733360000e+00 -8.3261600000e-01 -4.9236200000e-01 -1.3581130000e+00  8.4666400000e-01  6.9995000000e-02 -9.8320600000e-01  1.6885000000e-01 -1.2150860000e+00 -7.3605800000e-01  9.3002000000e-01
-ENERGY -1.526582678949e+02
-FORCES  2.1968000000e-03  5.0541000000e-03 -3.4750000000e-03  1.2882000000e-03 -3.1850000000e-04  4.7972000000e-03 -2.7084000000e-03 -3.2916000000e-03 -4.3900000000e-04  1.1353000000e-03  7.8696000000e-03 -2.5716000000e-03 -3.0027000000e-03 -5.7353000000e-03  1.4942000000e-03  1.0907000000e-03 -3.5783000000e-03  1.9430000000e-04
-
-JOB 35
-COORDS  1.1932530000e+00 -1.1865390000e+00  1.6476100000e-01  7.2911400000e-01 -1.3285770000e+00  9.8976500000e-01  5.6685900000e-01 -7.1581700000e-01 -3.8504200000e-01 -1.1293890000e+00  1.1047110000e+00 -2.2036100000e-01 -7.1854000000e-01  1.2759810000e+00  6.2704800000e-01 -1.5501930000e+00  1.9319250000e+00 -4.5461200000e-01
-ENERGY -1.526582680520e+02
-FORCES -6.0987000000e-03  1.3761000000e-03 -8.9100000000e-04  2.2011000000e-03  1.4652000000e-03 -2.3267000000e-03  5.3048000000e-03 -3.7512000000e-03  3.5744000000e-03 -1.1940000000e-03  6.1873000000e-03  1.8098000000e-03 -2.0224000000e-03 -2.0044000000e-03 -3.9408000000e-03  1.8092000000e-03 -3.2731000000e-03  1.7743000000e-03
-
-JOB 36
-COORDS -5.9790000000e-03  1.4305100000e+00 -6.5843700000e-01  2.3496700000e-01  1.7074710000e+00 -1.5424450000e+00 -6.2886100000e-01  2.0935070000e+00 -3.6063500000e-01 -3.5082000000e-02 -1.4903450000e+00  7.0659900000e-01  5.2170400000e-01 -7.1437800000e-01  6.4259700000e-01  5.5351500000e-01 -2.2235300000e+00  5.2708400000e-01
-ENERGY -1.526571946729e+02
-FORCES -3.2423000000e-03  3.6973000000e-03 -3.1619000000e-03 -9.6400000000e-04 -8.5000000000e-04  3.7704000000e-03  3.0063000000e-03 -2.3183000000e-03 -1.6196000000e-03  3.9879000000e-03  3.2551000000e-03 -2.4226000000e-03 -6.7980000000e-04 -6.6361000000e-03  3.1493000000e-03 -2.1081000000e-03  2.8520000000e-03  2.8430000000e-04
-
-JOB 37
-COORDS  1.0347640000e+00 -1.3148340000e+00 -1.7902600000e-01  1.0318090000e+00 -1.7466280000e+00  6.7524400000e-01  8.0638700000e-01 -4.0494700000e-01  1.1187000000e-02 -9.8098200000e-01  1.2352640000e+00  1.2606900000e-01 -1.6426390000e+00  1.3820440000e+00 -5.4987200000e-01 -1.0109410000e+00  2.0246330000e+00  6.6665300000e-01
-ENERGY -1.526591766427e+02
-FORCES -3.5815000000e-03  4.2598000000e-03  4.0642000000e-03  3.6820000000e-04  1.2706000000e-03 -2.8635000000e-03  5.3470000000e-03 -6.2689000000e-03 -6.1670000000e-04 -4.8232000000e-03  3.9516000000e-03 -1.7764000000e-03  2.5289000000e-03  4.3220000000e-04  3.5355000000e-03  1.6070000000e-04 -3.6453000000e-03 -2.3430000000e-03
-
-JOB 38
-COORDS  2.3266000000e-02 -1.8454100000e-01  1.6310640000e+00  3.6636500000e-01  6.8840200000e-01  1.8220760000e+00  8.0124900000e-01 -7.3723700000e-01  1.5568840000e+00 -1.3619800000e-01  1.2818400000e-01 -1.6235650000e+00  7.5516000000e-01 -8.5406000000e-02 -1.3477180000e+00 -4.5711000000e-02  9.4281600000e-01 -2.1179520000e+00
-ENERGY -1.526511982018e+02
-FORCES  3.0932000000e-03  1.7346000000e-03 -3.9660000000e-04 -9.4710000000e-04 -3.6754000000e-03 -7.8470000000e-04 -2.8306000000e-03  2.5749000000e-03 -8.3180000000e-04  3.6069000000e-03  1.9224000000e-03  1.2752000000e-03 -2.4479000000e-03  5.9360000000e-04 -1.8351000000e-03 -4.7450000000e-04 -3.1502000000e-03  2.5730000000e-03
-
-JOB 39
-COORDS -3.4604400000e-01  1.2221240000e+00 -9.9652300000e-01 -1.6498500000e-01  1.9289230000e+00 -1.6161080000e+00 -5.8513300000e-01  1.6697970000e+00 -1.8494600000e-01  3.7177600000e-01 -1.2480450000e+00  1.0353770000e+00  8.4150200000e-01 -1.5288480000e+00  2.5005000000e-01 -5.0506200000e-01 -1.6188740000e+00  9.3602100000e-01
-ENERGY -1.526553267659e+02
-FORCES  9.4000000000e-06  4.5238000000e-03  2.9153000000e-03 -3.6810000000e-04 -3.2989000000e-03  2.6182000000e-03 -1.0720000000e-04 -5.5060000000e-04 -4.4984000000e-03 -1.7010000000e-03 -1.0223000000e-03 -6.4637000000e-03 -1.0491000000e-03 -8.1740000000e-04  4.1184000000e-03  3.2160000000e-03  1.1654000000e-03  1.3102000000e-03
-
-JOB 40
-COORDS -9.3965300000e-01 -2.9011100000e-01  1.3414630000e+00 -1.0877250000e+00 -6.8301400000e-01  4.8126900000e-01 -1.7977550000e+00 -3.0964700000e-01  1.7651500000e+00  9.3039300000e-01  3.0223700000e-01 -1.3237530000e+00  1.4764060000e+00  1.8828200000e-01 -5.4586100000e-01  1.5360240000e+00  6.0678700000e-01 -1.9995440000e+00
-ENERGY -1.526572520323e+02
-FORCES -4.3433000000e-03 -9.4710000000e-04 -3.1398000000e-03 -9.7100000000e-05  3.5660000000e-04  5.7869000000e-03  3.1710000000e-03  2.6400000000e-05 -1.8250000000e-03  5.1222000000e-03  1.8227000000e-03  1.0985000000e-03 -1.6149000000e-03 -2.2090000000e-04 -4.8736000000e-03 -2.2380000000e-03 -1.0376000000e-03  2.9530000000e-03
-
-JOB 41
-COORDS -5.4077800000e-01  1.2050750000e+00 -1.0959140000e+00 -6.9797000000e-01  1.9193950000e+00 -4.7844400000e-01 -1.4003820000e+00  1.0221970000e+00 -1.4752130000e+00  6.1589800000e-01 -1.2828290000e+00  1.1145690000e+00  7.0943000000e-02 -1.3369000000e+00  3.2950000000e-01  7.0434600000e-01 -3.4439400000e-01  1.2811450000e+00
-ENERGY -1.526567637616e+02
-FORCES -4.7531000000e-03  4.0867000000e-03 -6.3620000000e-04  1.0832000000e-03 -3.8263000000e-03 -2.0894000000e-03  3.9884000000e-03  2.6120000000e-04  2.0359000000e-03 -1.8870000000e-03  5.4881000000e-03 -5.0793000000e-03  1.4334000000e-03 -2.5969000000e-03  4.0070000000e-03  1.3510000000e-04 -3.4128000000e-03  1.7620000000e-03
-
-JOB 42
-COORDS  1.2234560000e+00  7.7441400000e-01 -9.2142600000e-01  1.9599350000e+00  8.5834500000e-01 -3.1579600000e-01  1.5587160000e+00  1.1060900000e+00 -1.7543860000e+00 -1.2860090000e+00 -8.5276900000e-01  9.7675700000e-01 -1.0535970000e+00 -8.1995900000e-01  4.8780000000e-02 -1.4102240000e+00  6.3141000000e-02  1.2255760000e+00
-ENERGY -1.526574310493e+02
-FORCES  5.7773000000e-03  1.7574000000e-03 -6.3700000000e-04 -2.9387000000e-03  2.8480000000e-04 -3.0583000000e-03 -1.4295000000e-03 -1.4607000000e-03  3.6259000000e-03  2.2231000000e-03  4.9808000000e-03 -4.3747000000e-03 -3.3131000000e-03 -1.9576000000e-03  4.1880000000e-03 -3.1910000000e-04 -3.6047000000e-03  2.5610000000e-04
-
-JOB 43
-COORDS -4.7275200000e-01 -1.2193420000e+00  1.3010170000e+00  4.5216400000e-01 -1.1896400000e+00  1.5457230000e+00 -4.9357200000e-01 -8.9310300000e-01  4.0136900000e-01  3.6565600000e-01  1.2224520000e+00 -1.2798830000e+00  6.9275100000e-01  3.2996500000e-01 -1.3926070000e+00  1.1236500000e+00  1.7186110000e+00 -9.7084600000e-01
-ENERGY -1.526539013904e+02
-FORCES  2.7121000000e-03  3.4301000000e-03 -2.5378000000e-03 -3.3942000000e-03 -3.8320000000e-04 -1.3866000000e-03  1.4837000000e-03 -3.9828000000e-03  2.9538000000e-03  5.5129000000e-03  6.7570000000e-04 -3.4290000000e-04 -3.0420000000e-03  2.7726000000e-03  2.8530000000e-03 -3.2725000000e-03 -2.5125000000e-03 -1.5396000000e-03
-
-JOB 44
-COORDS -1.2516130000e+00 -2.0131300000e-01 -1.2627390000e+00 -6.2863900000e-01 -9.2407000000e-01 -1.1868620000e+00 -1.4435740000e+00 -1.4722300000e-01 -2.1989320000e+00  1.2631270000e+00  1.9673100000e-01  1.2826450000e+00  9.5170300000e-01  1.0282060000e+00  9.2501900000e-01  9.1460900000e-01  1.7322900000e-01  2.1738320000e+00
-ENERGY -1.526567238768e+02
-FORCES  2.2371000000e-03 -3.7579000000e-03 -2.9221000000e-03 -3.8014000000e-03  2.8640000000e-03 -1.8404000000e-03  9.5110000000e-04 -9.3000000000e-05  3.8313000000e-03 -3.7382000000e-03  4.0818000000e-03  1.9130000000e-03  2.6977000000e-03 -3.1315000000e-03  2.3835000000e-03  1.6537000000e-03  3.6600000000e-05 -3.3652000000e-03
-
-JOB 45
-COORDS  1.3421580000e+00  5.5606900000e-01 -1.1354100000e+00  1.2726120000e+00  2.7630200000e-01 -2.0481670000e+00  5.8086100000e-01  1.1199220000e+00 -9.9855600000e-01 -1.3391290000e+00 -5.2197600000e-01  1.1688970000e+00 -1.5477750000e+00 -1.4343950000e+00  1.3693710000e+00 -3.8541100000e-01 -5.0587200000e-01  1.0889250000e+00
-ENERGY -1.526572732690e+02
-FORCES -3.5464000000e-03  1.8363000000e-03 -4.7744000000e-03  5.3670000000e-04  1.2952000000e-03  3.6470000000e-03  4.0854000000e-03 -2.8602000000e-03  1.6000000000e-05  3.8785000000e-03 -4.2956000000e-03  4.7940000000e-04  7.0460000000e-04  3.5046000000e-03 -7.1250000000e-04 -5.6588000000e-03  5.1980000000e-04  1.3446000000e-03
-
-JOB 46
-COORDS -1.4608210000e+00  6.6752500000e-01 -9.2201100000e-01 -1.3854540000e+00  1.5872340000e+00 -1.1763490000e+00 -1.4073300000e+00  6.7764900000e-01  3.3640000000e-02  1.5097850000e+00 -7.4322000000e-01  8.9471000000e-01  1.2982620000e+00  1.1676400000e-01  5.3150500000e-01  6.6031700000e-01 -1.1659270000e+00  1.0210220000e+00
-ENERGY -1.526540793028e+02
-FORCES -1.5056000000e-03  4.6002000000e-03  1.7691000000e-03  1.1260000000e-04 -4.2202000000e-03  1.4027000000e-03  1.6372000000e-03 -9.6230000000e-04 -4.0423000000e-03 -4.3761000000e-03  9.7730000000e-04 -3.1475000000e-03  9.4940000000e-04 -2.7613000000e-03  3.2680000000e-03  3.1825000000e-03  2.3663000000e-03  7.5010000000e-04
-
-JOB 47
-COORDS -7.2422600000e-01  1.7204310000e+00  2.1897300000e-01  1.6423500000e-01  1.7856610000e+00 -1.3119200000e-01 -6.1015300000e-01  1.7451390000e+00  1.1690300000e+00  7.1854300000e-01 -1.7315100000e+00 -2.2016100000e-01  2.9920600000e-01 -9.1483300000e-01 -4.9113800000e-01  1.7305200000e-01 -2.4194240000e+00 -6.0153500000e-01
-ENERGY -1.526566327673e+02
-FORCES  3.6930000000e-03  2.7799000000e-03  4.1719000000e-03 -4.3409000000e-03 -2.1610000000e-03  8.7360000000e-04 -5.8820000000e-04  1.7900000000e-04 -4.4144000000e-03 -5.3025000000e-03  7.5000000000e-04 -2.4989000000e-03  4.2191000000e-03 -4.0418000000e-03  3.8480000000e-04  2.3195000000e-03  2.4939000000e-03  1.4831000000e-03
-
-JOB 48
-COORDS  1.5335280000e+00 -1.0318900000e-01  1.1293070000e+00  1.1130810000e+00 -2.6461700000e-01  2.8467900000e-01  1.9905210000e+00  7.3001000000e-01  1.0145500000e+00 -1.4824090000e+00  6.5346000000e-02 -1.0338150000e+00 -1.4972760000e+00  6.5751000000e-02 -1.9909000000e+00 -2.4034220000e+00  7.9090000000e-03 -7.7951700000e-01
-ENERGY -1.526567835894e+02
-FORCES -2.0618000000e-03  2.8471000000e-03 -4.6316000000e-03  4.9737000000e-03  9.6200000000e-05  3.9334000000e-03 -1.2881000000e-03 -3.1256000000e-03  5.5690000000e-04 -5.8012000000e-03 -2.0000000000e-04 -2.1756000000e-03  5.6670000000e-04  1.4700000000e-05  4.1881000000e-03  3.6107000000e-03  3.6750000000e-04 -1.8713000000e-03
-
-JOB 49
-COORDS  7.2029000000e-02 -8.2516000000e-01 -1.7361310000e+00 -3.2950200000e-01 -3.5528100000e-01 -1.0052290000e+00  1.9564500000e-01 -1.7163960000e+00 -1.4095570000e+00 -6.1219000000e-02  7.8070800000e-01  1.6954700000e+00 -6.1614800000e-01  1.2032180000e+00  1.0399010000e+00  4.9914300000e-01  1.4835330000e+00  2.0245050000e+00
-ENERGY -1.526549466252e+02
-FORCES -1.4020000000e-04 -2.3638000000e-03  5.9692000000e-03 -1.3410000000e-04 -2.3860000000e-04 -4.2090000000e-03 -6.0960000000e-04  3.1986000000e-03 -2.1739000000e-03  1.0887000000e-03  6.1748000000e-03  3.4230000000e-04  2.5779000000e-03 -3.8165000000e-03  1.1422000000e-03 -2.7827000000e-03 -2.9546000000e-03 -1.0707000000e-03
-
-JOB 50
-COORDS -1.5828880000e+00  1.1182990000e+00  1.7398000000e-02 -6.8753300000e-01  1.4564810000e+00  3.1724000000e-02 -1.8791810000e+00  1.2615600000e+00 -8.8144500000e-01  1.5483900000e+00 -1.0925290000e+00  7.5542000000e-02  1.0902740000e+00 -1.2327930000e+00 -7.5312400000e-01  2.0303310000e+00 -1.9061110000e+00  2.2403100000e-01
-ENERGY -1.526548140804e+02
-FORCES  3.1216000000e-03  2.2866000000e-03 -2.3288000000e-03 -4.7449000000e-03 -7.0100000000e-04 -1.0148000000e-03  1.4315000000e-03 -1.1394000000e-03  3.4247000000e-03 -5.5580000000e-04 -4.8147000000e-03 -2.1614000000e-03  2.6926000000e-03  1.1026000000e-03  2.8594000000e-03 -1.9450000000e-03  3.2659000000e-03 -7.7920000000e-04
-
-JOB 51
-COORDS  1.4371050000e+00  1.2460000000e+00  6.9759000000e-02  2.3636590000e+00  1.1373480000e+00  2.8406200000e-01  1.4238910000e+00  1.3777420000e+00 -8.7823900000e-01 -1.5276840000e+00 -1.2973590000e+00  1.3560000000e-03 -1.7902380000e+00 -3.8384700000e-01 -1.1174900000e-01 -6.2086700000e-01 -1.3259720000e+00 -3.0375900000e-01
-ENERGY -1.526556674841e+02
-FORCES  5.1962000000e-03  1.4627000000e-03 -2.0804000000e-03 -3.9997000000e-03  4.3000000000e-04 -1.2374000000e-03 -7.3390000000e-04 -1.4441000000e-03  4.1083000000e-03  3.9697000000e-03  4.8887000000e-03 -3.9050000000e-04 -1.1390000000e-04 -3.9561000000e-03 -3.5900000000e-04 -4.3184000000e-03 -1.3812000000e-03 -4.0900000000e-05
-
-JOB 52
-COORDS -1.8949510000e+00 -1.7806400000e-01 -3.3810200000e-01 -2.7181130000e+00  8.1538000000e-02 -7.5191800000e-01 -1.2199430000e+00  7.1186000000e-02 -9.6934700000e-01  1.9264810000e+00  1.9796500000e-01  4.4182200000e-01  1.9390820000e+00  1.1533300000e-01 -5.1172100000e-01  1.5265610000e+00 -6.1601400000e-01  7.4798200000e-01
-ENERGY -1.526542384301e+02
-FORCES -1.0363000000e-03  3.1363000000e-03 -3.9275000000e-03  3.4949000000e-03 -1.0747000000e-03  1.6380000000e-03 -2.5208000000e-03 -2.1364000000e-03  1.9946000000e-03 -1.4674000000e-03 -4.1493000000e-03 -1.3707000000e-03 -9.8860000000e-04  7.1550000000e-04  3.5078000000e-03  2.5182000000e-03  3.5086000000e-03 -1.8422000000e-03
-
-JOB 53
-COORDS  1.2859810000e+00  1.4816890000e+00 -2.2250000000e-02  1.8966650000e+00  1.9487520000e+00 -5.9246900000e-01  6.8745500000e-01  2.1584590000e+00  2.9394500000e-01 -1.2245570000e+00 -1.5547480000e+00  7.3942000000e-02 -1.6555430000e+00 -2.1907040000e+00 -4.9706000000e-01 -1.7912550000e+00 -7.8385900000e-01  4.5402000000e-02
-ENERGY -1.526526385198e+02
-FORCES  4.6870000000e-04  4.3696000000e-03 -9.5360000000e-04 -2.5557000000e-03 -1.9871000000e-03  2.3731000000e-03  1.9848000000e-03 -2.9681000000e-03 -1.4401000000e-03 -3.2828000000e-03  1.3356000000e-03 -2.7676000000e-03  1.8428000000e-03  2.4944000000e-03  2.3467000000e-03  1.5422000000e-03 -3.2445000000e-03  4.4160000000e-04
-
-JOB 54
-COORDS  1.3389150000e+00 -6.3421100000e-01 -1.5283130000e+00  5.6743700000e-01 -1.5873700000e-01 -1.8364960000e+00  1.3110980000e+00 -5.4502000000e-01 -5.7568300000e-01 -1.2322500000e+00  5.9189600000e-01  1.4535120000e+00 -1.9642380000e+00  1.1819600000e+00  1.2739310000e+00 -1.4775620000e+00  1.4480500000e-01  2.2635520000e+00
-ENERGY -1.526564626795e+02
-FORCES -4.2300000000e-03  2.7289000000e-03  3.8606000000e-03  3.2321000000e-03 -1.8334000000e-03 -2.6800000000e-05  1.6506000000e-03 -1.1274000000e-03 -4.4565000000e-03 -4.7045000000e-03  7.9040000000e-04  3.3673000000e-03  3.0443000000e-03 -2.5541000000e-03  6.5330000000e-04  1.0075000000e-03  1.9956000000e-03 -3.3981000000e-03
-
-JOB 55
-COORDS  1.2193400000e+00 -1.2657470000e+00 -1.0058160000e+00  1.0706060000e+00 -2.1773900000e+00 -7.5478400000e-01  1.0274830000e+00 -1.2406020000e+00 -1.9432550000e+00 -1.2091830000e+00  1.2496800000e+00  1.0155630000e+00 -1.7368230000e+00  2.0193950000e+00  8.0256900000e-01 -5.7619300000e-01  1.5638160000e+00  1.6612200000e+00
-ENERGY -1.526532529293e+02
-FORCES -2.6810000000e-03 -3.1696000000e-03 -2.5225000000e-03  1.0309000000e-03  3.5083000000e-03 -1.0535000000e-03  1.1910000000e-03 -2.5190000000e-04  3.5327000000e-03  1.5485000000e-03  4.1416000000e-03  1.5443000000e-03  2.0150000000e-03 -3.2410000000e-03  6.7710000000e-04 -3.1044000000e-03 -9.8720000000e-04 -2.1781000000e-03
-
-JOB 56
-COORDS -1.0811280000e+00 -1.6709550000e+00 -4.0718100000e-01 -1.8390260000e+00 -1.7314550000e+00 -9.8869700000e-01 -1.0536830000e+00 -2.5167900000e+00  4.0079000000e-02  1.0656310000e+00  1.7194310000e+00  4.4608300000e-01  1.8038500000e+00  2.2351650000e+00  7.7055700000e-01  1.3876010000e+00  1.3222670000e+00 -3.6313100000e-01
-ENERGY -1.526538059661e+02
-FORCES -3.4178000000e-03 -3.4965000000e-03  2.1110000000e-04  3.2922000000e-03  1.8050000000e-04  2.2098000000e-03 -7.9100000000e-05  3.3403000000e-03 -2.0567000000e-03  3.8093000000e-03 -5.9850000000e-04 -2.4401000000e-03 -3.0570000000e-03 -2.1244000000e-03 -1.1515000000e-03 -5.4760000000e-04  2.6985000000e-03  3.2275000000e-03
-
-JOB 57
-COORDS  1.3261250000e+00  1.5951380000e+00  2.6020600000e-01  1.9979040000e+00  1.6972070000e+00  9.3439100000e-01  5.0172400000e-01  1.7684400000e+00  7.1469600000e-01 -1.3302010000e+00 -1.6354370000e+00 -3.9189500000e-01 -1.8471480000e+00 -1.0082100000e+00  1.1365800000e-01 -5.8949000000e-01 -1.8486560000e+00  1.7565800000e-01
-ENERGY -1.526535177527e+02
-FORCES -3.9420000000e-04  1.9842000000e-03  4.0935000000e-03 -2.9599000000e-03 -7.6590000000e-04 -2.8122000000e-03  3.2118000000e-03 -1.2827000000e-03 -1.5415000000e-03  1.9200000000e-03  2.0186000000e-03  3.8544000000e-03  1.9275000000e-03 -2.2812000000e-03 -1.7612000000e-03 -3.7052000000e-03  3.2710000000e-04 -1.8331000000e-03
-
-JOB 58
-COORDS  6.6314600000e-01 -4.2483700000e-01 -1.9240970000e+00  1.2885890000e+00  2.7963000000e-01 -1.7544550000e+00  1.8876300000e-01 -1.4153200000e-01 -2.7057180000e+00 -7.1265900000e-01  3.0843600000e-01  1.9834000000e+00 -4.3808800000e-01  5.6122900000e-01  1.1019590000e+00 -3.0311800000e-01  9.5587800000e-01  2.5572700000e+00
-ENERGY -1.526546503937e+02
-FORCES  1.1682000000e-03  2.9511000000e-03 -4.2263000000e-03 -3.3955000000e-03 -2.6055000000e-03  2.5110000000e-04  2.1295000000e-03 -1.0213000000e-03  3.5484000000e-03  2.7213000000e-03  2.7364000000e-03 -2.0699000000e-03 -1.1028000000e-03  4.4950000000e-04  4.9455000000e-03 -1.5205000000e-03 -2.5103000000e-03 -2.4488000000e-03
-
-JOB 59
-COORDS -1.0245850000e+00 -1.0512800000e-01  1.8055610000e+00 -1.6807290000e+00 -7.4988500000e-01  2.0701270000e+00 -9.8752300000e-01  5.1296200000e-01  2.5355090000e+00  1.0797400000e+00  1.6116600000e-01 -1.8380730000e+00  4.9562700000e-01 -4.9748300000e-01 -1.4622720000e+00  1.3213850000e+00 -1.9272300000e-01 -2.6939950000e+00
-ENERGY -1.526547785014e+02
-FORCES -2.2696000000e-03  8.7340000000e-04  4.6937000000e-03  2.8029000000e-03  2.4671000000e-03 -1.4523000000e-03 -4.9250000000e-04 -2.8373000000e-03 -2.7259000000e-03 -1.9838000000e-03 -4.0789000000e-03 -7.3660000000e-04  2.9039000000e-03  2.1512000000e-03 -3.1768000000e-03 -9.6080000000e-04  1.4246000000e-03  3.3980000000e-03
-
-JOB 60
-COORDS -6.2183300000e-01 -6.4102600000e-01 -2.0289320000e+00 -6.9014500000e-01 -1.7718300000e-01 -1.1944170000e+00  2.0802000000e-02 -1.3318460000e+00 -1.8676220000e+00  5.3852000000e-01  6.2637800000e-01  1.9542280000e+00  9.5558900000e-01  1.4173980000e+00  1.6128020000e+00  1.0903160000e+00  3.6290000000e-01  2.6906600000e+00
-ENERGY -1.526560991412e+02
-FORCES  2.1719000000e-03 -1.0921000000e-03  5.2361000000e-03  6.4300000000e-05 -1.4265000000e-03 -4.8804000000e-03 -2.3721000000e-03  2.5160000000e-03 -1.2779000000e-03  4.2556000000e-03  2.4288000000e-03  3.0468000000e-03 -1.9451000000e-03 -3.6837000000e-03  1.0072000000e-03 -2.1747000000e-03  1.2576000000e-03 -3.1318000000e-03
-
-JOB 61
-COORDS  1.1619980000e+00 -8.1701400000e-01 -1.6570530000e+00  1.3400950000e+00 -1.6072260000e+00 -1.1470740000e+00  2.6576300000e-01 -9.3212600000e-01 -1.9728740000e+00 -1.1873040000e+00  8.4871200000e-01  1.6666770000e+00 -5.4111100000e-01  1.4110510000e+00  2.0938080000e+00 -7.5834400000e-01  5.5880800000e-01  8.6158000000e-01
-ENERGY -1.526556505406e+02
-FORCES -1.9429000000e-03 -4.9590000000e-03 -9.3740000000e-04 -1.0221000000e-03  3.8360000000e-03 -1.8844000000e-03  3.7057000000e-03  1.0640000000e-03  2.2821000000e-03  5.0559000000e-03  1.5672000000e-03 -1.8625000000e-03 -2.7822000000e-03 -2.2460000000e-03 -1.3686000000e-03 -3.0145000000e-03  7.3780000000e-04  3.7709000000e-03
-
-JOB 62
-COORDS -2.4043700000e-01 -7.2505600000e-01 -2.2222370000e+00 -6.6083700000e-01 -6.6445000000e-02 -1.6693120000e+00  6.5893800000e-01 -7.7199800000e-01 -1.8979660000e+00  1.7711500000e-01  7.4969800000e-01  2.1638300000e+00  1.0628620000e+00  6.6986300000e-01  2.5178200000e+00 -9.2408000000e-02 -1.5140700000e-01  1.9860680000e+00
-ENERGY -1.526549567324e+02
-FORCES  2.0058000000e-03  3.4195000000e-03  3.2808000000e-03  1.5262000000e-03 -3.4642000000e-03 -2.4356000000e-03 -3.6260000000e-03 -3.6620000000e-04 -1.1868000000e-03  2.4563000000e-03 -3.9654000000e-03  2.1461000000e-03 -3.6876000000e-03  2.5550000000e-04 -1.7713000000e-03  1.3253000000e-03  4.1207000000e-03 -3.3200000000e-05
-
-JOB 63
-COORDS -9.6496700000e-01  1.9242990000e+00 -8.1005800000e-01 -6.0144000000e-01  1.1794620000e+00 -1.2889090000e+00 -6.9265600000e-01  2.6903830000e+00 -1.3152240000e+00  8.7930600000e-01 -1.9694620000e+00  8.4328700000e-01  1.7929130000e+00 -2.1871430000e+00  1.0281320000e+00  7.9638400000e-01 -1.0493830000e+00  1.0939090000e+00
-ENERGY -1.526551324623e+02
-FORCES  1.9277000000e-03  1.5320000000e-04 -4.7151000000e-03 -1.1283000000e-03  3.5369000000e-03  2.5265000000e-03 -1.0301000000e-03 -3.1653000000e-03  2.1231000000e-03  3.1818000000e-03  2.8161000000e-03  2.6293000000e-03 -3.6959000000e-03  9.1280000000e-04 -8.8730000000e-04  7.4480000000e-04 -4.2537000000e-03 -1.6764000000e-03
-
-JOB 64
-COORDS  7.6522600000e-01  9.9282000000e-01  2.0517200000e+00  4.8235000000e-01  8.5970000000e-02  2.1693490000e+00  1.3896240000e+00  9.5736700000e-01  1.3270800000e+00 -8.4752700000e-01 -9.6263800000e-01 -2.0325310000e+00 -3.7326000000e-02 -1.3731990000e+00 -2.3345980000e+00 -5.5754000000e-01 -2.0886200000e-01 -1.5187600000e+00
-ENERGY -1.526539249461e+02
-FORCES  1.6812000000e-03 -3.9395000000e-03 -1.2791000000e-03  1.3277000000e-03  4.0568000000e-03 -9.0840000000e-04 -3.1275000000e-03  6.2100000000e-05  2.2913000000e-03  3.9495000000e-03  1.7546000000e-03  2.8930000000e-04 -3.2190000000e-03  1.7595000000e-03  1.6431000000e-03 -6.1180000000e-04 -3.6934000000e-03 -2.0362000000e-03
-
-JOB 65
-COORDS  7.1300300000e-01  1.0418400000e-01  2.3773680000e+00  7.1375400000e-01 -7.0781900000e-01  1.8705330000e+00  6.9769500000e-01  7.9834000000e-01  1.7184710000e+00 -7.5274100000e-01 -7.7030000000e-02 -2.3751110000e+00  8.5212000000e-02 -5.3969400000e-01 -2.3722630000e+00 -9.5210200000e-01  6.4100000000e-02 -1.4496010000e+00
-ENERGY -1.526531744126e+02
-FORCES  4.8790000000e-04 -3.2280000000e-04 -3.9065000000e-03 -3.1200000000e-04  3.7045000000e-03  1.5188000000e-03 -3.6180000000e-04 -3.4448000000e-03  2.2889000000e-03  2.1123000000e-03 -1.4749000000e-03  3.1189000000e-03 -3.5055000000e-03  2.0794000000e-03  5.2110000000e-04  1.5791000000e-03 -5.4140000000e-04 -3.5412000000e-03
-
-JOB 66
-COORDS  6.1879500000e-01  3.8062000000e-02 -2.4453420000e+00  6.0335300000e-01  7.5337500000e-01 -3.0812040000e+00 -2.0271500000e-01  1.2844300000e-01 -1.9624500000e+00 -5.5227000000e-01 -1.1800000000e-02  2.4331490000e+00 -3.9552000000e-02 -7.1337700000e-01  2.8345750000e+00 -1.4380200000e+00 -3.6882300000e-01  2.3682420000e+00
-ENERGY -1.526543557378e+02
-FORCES -3.3059000000e-03  3.6176000000e-03  1.0700000000e-04  4.8600000000e-05 -2.9442000000e-03  2.4129000000e-03  3.0398000000e-03 -6.6160000000e-04 -2.6890000000e-03 -9.9840000000e-04 -4.5310000000e-03  1.7781000000e-03 -2.3456000000e-03  2.9126000000e-03 -1.4825000000e-03  3.5615000000e-03  1.6066000000e-03 -1.2650000000e-04
-
-JOB 67
-COORDS  3.0413000000e-02 -1.1450040000e+00 -2.4991010000e+00  7.8829900000e-01 -1.7270800000e+00 -2.5541210000e+00  3.8222300000e-01 -3.2504400000e-01 -2.1525070000e+00 -1.0518500000e-01  1.0597320000e+00  2.4557410000e+00 -3.0829200000e-01  1.9149840000e+00  2.0768950000e+00  3.1488500000e-01  1.2612830000e+00  3.2918930000e+00
-ENERGY -1.526540980560e+02
-FORCES  4.4805000000e-03  8.7410000000e-04  1.9514000000e-03 -3.0186000000e-03  2.3203000000e-03 -4.8000000000e-05 -1.3896000000e-03 -3.0990000000e-03 -1.9581000000e-03  4.9870000000e-04  4.2721000000e-03  2.2190000000e-03  1.0902000000e-03 -3.5454000000e-03  1.3383000000e-03 -1.6611000000e-03 -8.2200000000e-04 -3.5026000000e-03
-
-JOB 68
-COORDS  4.0339800000e-01  2.7457880000e+00  1.8779800000e-01  1.2258690000e+00  2.3265900000e+00 -6.5275000000e-02  4.6640900000e-01  2.8438340000e+00  1.1378760000e+00 -4.2697300000e-01 -2.7653440000e+00 -2.7579500000e-01 -3.9212400000e-01 -3.0307570000e+00  6.4321200000e-01 -7.8841000000e-01 -1.8792240000e+00 -2.5613500000e-01
-ENERGY -1.526545436899e+02
-FORCES  4.0182000000e-03 -6.9470000000e-04  2.6833000000e-03 -3.6289000000e-03  1.5809000000e-03  1.1871000000e-03 -4.0590000000e-04 -6.6380000000e-04 -3.8950000000e-03 -1.7088000000e-03  2.6344000000e-03  3.6519000000e-03  6.6000000000e-06  1.0980000000e-03 -3.6759000000e-03  1.7189000000e-03 -3.9547000000e-03  4.8600000000e-05
-
-JOB 69
-COORDS -2.1447000000e-01  1.2149910000e+00 -2.5862430000e+00  4.7110100000e-01  8.3228700000e-01 -2.0387380000e+00 -5.0794100000e-01  4.9351700000e-01 -3.1426430000e+00  1.3858200000e-01 -1.1394020000e+00  2.5780510000e+00  7.4783700000e-01 -8.7587900000e-01  3.2676850000e+00  6.3709400000e-01 -1.7537990000e+00  2.0393180000e+00
-ENERGY -1.526538362229e+02
-FORCES  1.3006000000e-03 -4.4954000000e-03  3.9340000000e-04 -2.5039000000e-03  1.4772000000e-03 -2.5474000000e-03  1.3058000000e-03  2.9119000000e-03  2.1636000000e-03  4.3673000000e-03 -1.4361000000e-03  1.0697000000e-03 -2.4661000000e-03 -1.1317000000e-03 -2.9420000000e-03 -2.0038000000e-03  2.6741000000e-03  1.8626000000e-03
-
-JOB 70
-COORDS -1.3404360000e+00 -2.2146770000e+00 -1.4973780000e+00 -7.2607900000e-01 -2.8135100000e+00 -1.9218730000e+00 -1.4722060000e+00 -2.5849530000e+00 -6.2458700000e-01  1.3304300000e+00  2.2552740000e+00  1.5298570000e+00  1.7988970000e+00  2.7366630000e+00  8.4792200000e-01  4.4917600000e-01  2.1346760000e+00  1.1761910000e+00
-ENERGY -1.526545692273e+02
-FORCES  2.0553000000e-03 -4.1920000000e-03  1.8563000000e-03 -2.5472000000e-03  2.4587000000e-03  1.6795000000e-03  4.5890000000e-04  1.6069000000e-03 -3.6027000000e-03 -1.8257000000e-03  1.3606000000e-03 -4.4889000000e-03 -1.7840000000e-03 -1.8663000000e-03  2.8447000000e-03  3.6427000000e-03  6.3200000000e-04  1.7112000000e-03
-
-JOB 71
-COORDS  2.2019700000e+00  2.1262020000e+00  8.8290700000e-01  2.5704430000e+00  1.2494200000e+00  9.9112800000e-01  2.7809180000e+00  2.5536020000e+00  2.5173400000e-01 -2.2335380000e+00 -2.1276790000e+00 -9.1193600000e-01 -2.8275480000e+00 -1.3968100000e+00 -7.4101400000e-01 -1.9797770000e+00 -2.4389390000e+00 -4.3055000000e-02
-ENERGY -1.526542879072e+02
-FORCES  3.9039000000e-03 -1.8641000000e-03 -2.3706000000e-03 -1.5261000000e-03  3.5747000000e-03 -2.7510000000e-04 -2.3232000000e-03 -1.6926000000e-03  2.6438000000e-03 -1.4039000000e-03  1.9945000000e-03  4.2960000000e-03  2.3067000000e-03 -3.1318000000e-03 -7.4370000000e-04 -9.5740000000e-04  1.1193000000e-03 -3.5504000000e-03
-
-JOB 72
-COORDS -2.3227400000e-01 -1.5230500000e-01 -3.4817230000e+00 -8.8718800000e-01  1.1730600000e-01 -4.1256410000e+00 -2.2213300000e-01  5.5650200000e-01 -2.8385100000e+00  2.9087800000e-01  9.7297000000e-02  3.5404410000e+00 -5.3192100000e-01  4.3910200000e-01  3.1905790000e+00  7.1960400000e-01 -3.1203200000e-01  2.7888590000e+00
-ENERGY -1.526540446374e+02
-FORCES -2.6128000000e-03  4.0542000000e-03 -3.7120000000e-04  2.6780000000e-03 -1.0989000000e-03  2.7224000000e-03 -6.3800000000e-05 -3.0209000000e-03 -2.3468000000e-03 -1.5796000000e-03 -5.1880000000e-04 -4.4253000000e-03  3.3686000000e-03 -1.2679000000e-03  1.3542000000e-03 -1.7904000000e-03  1.8524000000e-03  3.0666000000e-03
-
-JOB 73
-COORDS -4.1079400000e-01  3.3564520000e+00 -1.3143200000e+00 -4.8338100000e-01  2.4730160000e+00 -9.5306800000e-01 -1.0259850000e+00  3.8778790000e+00 -7.9867900000e-01  4.9606000000e-01 -3.3448340000e+00  1.2164280000e+00  2.0201500000e-01 -3.9308750000e+00  1.9137980000e+00 -2.2279000000e-02 -2.5492200000e+00  1.3370710000e+00
-ENERGY -1.526537905070e+02
-FORCES -2.7215000000e-03 -1.4430000000e-03  3.4547000000e-03  2.0050000000e-04  3.5760000000e-03 -1.3337000000e-03  2.5079000000e-03 -2.1927000000e-03 -2.0694000000e-03 -3.2415000000e-03  6.4470000000e-04  3.4111000000e-03  1.1825000000e-03  2.4587000000e-03 -2.8734000000e-03  2.0721000000e-03 -3.0436000000e-03 -5.8930000000e-04
-
-JOB 74
-COORDS  1.9911500000e+00 -1.8727900000e-01 -3.2612660000e+00  1.6773530000e+00 -1.0503420000e+00 -2.9912930000e+00  1.3635030000e+00  4.2645600000e-01 -2.8796640000e+00 -1.9621450000e+00  1.8983700000e-01  3.1581320000e+00 -2.4157140000e+00  1.8772000000e-02  3.9835070000e+00 -1.1140520000e+00  5.4807400000e-01  3.4201170000e+00
-ENERGY -1.526543653061e+02
-FORCES -4.0063000000e-03 -1.0443000000e-03  2.6928000000e-03  1.3834000000e-03  3.4837000000e-03 -1.1446000000e-03  2.6738000000e-03 -2.4368000000e-03 -1.5919000000e-03  1.5174000000e-03  7.8260000000e-04  4.6115000000e-03  1.8747000000e-03  6.9690000000e-04 -3.3808000000e-03 -3.4430000000e-03 -1.4821000000e-03 -1.1869000000e-03
-
-JOB 75
-COORDS  1.8688650000e+00  6.6452000000e-01  3.4063430000e+00  2.4432720000e+00  5.8452600000e-01  2.6448380000e+00  1.0959350000e+00  1.1230180000e+00  3.0768140000e+00 -1.9142610000e+00 -6.5761300000e-01 -3.3310050000e+00 -1.0625330000e+00 -2.3479500000e-01 -3.4406270000e+00 -1.7318690000e+00 -1.5925980000e+00 -3.4246450000e+00
-ENERGY -1.526540546542e+02
-FORCES -9.2280000000e-04  1.5806000000e-03 -4.3928000000e-03 -2.3072000000e-03  2.9280000000e-04  3.0505000000e-03  3.2503000000e-03 -1.8736000000e-03  1.3306000000e-03  4.1077000000e-03 -2.2125000000e-03 -1.0039000000e-03 -3.4300000000e-03 -1.6659000000e-03  5.9760000000e-04 -6.9800000000e-04  3.8787000000e-03  4.1810000000e-04
-
-JOB 76
-COORDS  3.0845600000e-01 -4.0638900000e-01  4.2278320000e+00  1.1043420000e+00  1.0641000000e-01  4.0869960000e+00 -2.2062000000e-01 -2.4791700000e-01  3.4460410000e+00 -3.0224600000e-01  4.2411800000e-01 -4.1670460000e+00 -5.9747000000e-01  8.6301000000e-02 -5.0125950000e+00 -4.6529000000e-01 -2.9145700000e-01 -3.5525530000e+00
-ENERGY -1.526541418732e+02
-FORCES  1.1154000000e-03  2.8588000000e-03 -3.7291000000e-03 -3.2518000000e-03 -2.1416000000e-03  5.8240000000e-04  2.1326000000e-03 -7.4560000000e-04  3.1548000000e-03 -1.8817000000e-03 -4.3312000000e-03 -1.1208000000e-03  1.2053000000e-03  1.3789000000e-03  3.4843000000e-03  6.8030000000e-04  2.9806000000e-03 -2.3717000000e-03
-
-JOB 77
-COORDS -2.5173100000e+00  3.4264890000e+00 -9.6457200000e-01 -3.4678110000e+00  3.4632180000e+00 -8.5765500000e-01 -2.3786720000e+00  2.7830810000e+00 -1.6595810000e+00  2.5390270000e+00 -3.3630330000e+00  9.4139000000e-01  2.5322670000e+00 -4.2943950000e+00  1.1621860000e+00  2.8354040000e+00 -2.9288970000e+00  1.7413390000e+00
-ENERGY -1.526541324800e+02
-FORCES -3.2229000000e-03 -2.5976000000e-03 -2.4143000000e-03  3.8471000000e-03 -1.1210000000e-04 -4.1830000000e-04 -6.3970000000e-04  2.7082000000e-03  2.8120000000e-03  1.2048000000e-03 -1.9445000000e-03  4.2110000000e-03  8.2000000000e-06  3.7800000000e-03 -9.2250000000e-04 -1.1976000000e-03 -1.8339000000e-03 -3.2679000000e-03
-
-JOB 78
-COORDS -3.1365190000e+00  3.3472300000e+00 -1.6537620000e+00 -2.6690530000e+00  4.0515020000e+00 -2.1028810000e+00 -2.9140940000e+00  2.5582460000e+00 -2.1479920000e+00  3.1424720000e+00 -3.3122160000e+00  1.7418770000e+00  2.6262080000e+00 -2.8566590000e+00  1.0769170000e+00  2.9293820000e+00 -4.2372740000e+00  1.6190280000e+00
-ENERGY -1.526540117110e+02
-FORCES  2.7894000000e-03 -2.6060000000e-04 -3.8481000000e-03 -1.9049000000e-03 -2.9102000000e-03  1.8254000000e-03 -8.8010000000e-04  3.1646000000e-03  2.0355000000e-03 -3.0114000000e-03 -1.9127000000e-03 -3.1444000000e-03  2.1270000000e-03 -1.8607000000e-03  2.6578000000e-03  8.8000000000e-04  3.7796000000e-03  4.7380000000e-04
-
-JOB 79
-COORDS -1.0665470000e+00  4.2232590000e+00  2.4079460000e+00 -1.7837540000e+00  4.6091650000e+00  2.9108600000e+00 -1.4188180000e+00  3.3937830000e+00  2.0852910000e+00  1.0834910000e+00 -4.2480490000e+00 -2.4058580000e+00  1.8097810000e+00 -3.9234630000e+00 -1.8735250000e+00  1.1217810000e+00 -3.7265470000e+00 -3.2076070000e+00
-ENERGY -1.526541576970e+02
-FORCES -4.4049000000e-03 -1.8088000000e-03  7.6920000000e-04  2.9323000000e-03 -1.5668000000e-03 -2.0565000000e-03  1.4748000000e-03  3.3905000000e-03  1.2923000000e-03  3.1845000000e-03  3.4291000000e-03 -1.1259000000e-03 -2.9975000000e-03 -1.3220000000e-03 -2.1595000000e-03 -1.8930000000e-04 -2.1219000000e-03  3.2803000000e-03
-
-JOB 80
-COORDS  9.9607700000e-01  4.3264180000e+00 -2.4104740000e+00  1.9133900000e-01  4.5757590000e+00 -2.8648510000e+00  6.9627900000e-01  3.8674440000e+00 -1.6258110000e+00 -9.9220200000e-01 -4.2894370000e+00  2.4201730000e+00 -4.1656300000e-01 -3.9156520000e+00  1.7529740000e+00 -6.2759900000e-01 -5.1574940000e+00  2.5927280000e+00
-ENERGY -1.526541339773e+02
-FORCES -4.5432000000e-03 -7.9550000000e-04  1.3693000000e-03  3.2963000000e-03 -1.0317000000e-03  1.8401000000e-03  1.2568000000e-03  1.8303000000e-03 -3.2192000000e-03  3.8622000000e-03 -2.0877000000e-03 -1.9971000000e-03 -2.3781000000e-03 -1.4674000000e-03  2.7153000000e-03 -1.4940000000e-03  3.5519000000e-03 -7.0850000000e-04
-
-JOB 81
-COORDS  4.5214710000e+00  2.0992930000e+00  1.0990920000e+00  5.0384170000e+00  2.8921080000e+00  1.2420710000e+00  4.6576480000e+00  1.5780640000e+00  1.8902980000e+00 -4.5194360000e+00 -2.0876270000e+00 -1.1313970000e+00 -4.6400640000e+00 -3.0355710000e+00 -1.1869260000e+00 -5.2713750000e+00 -1.7223010000e+00 -1.5976120000e+00
-ENERGY -1.526539665229e+02
-FORCES  2.5717000000e-03  1.0766000000e-03  3.8223000000e-03 -2.0867000000e-03 -3.2267000000e-03 -5.9260000000e-04 -5.0060000000e-04  2.1409000000e-03 -3.2252000000e-03 -3.4996000000e-03 -2.3441000000e-03 -2.1638000000e-03  4.7200000000e-04  3.8571000000e-03  2.4380000000e-04  3.0433000000e-03 -1.5038000000e-03  1.9155000000e-03
-
-JOB 82
-COORDS  1.0969320000e+00  1.8409570000e+00  4.7985550000e+00  1.6131920000e+00  2.4114560000e+00  4.2291350000e+00  1.0048560000e+00  2.3348400000e+00  5.6133140000e+00 -1.0731000000e+00 -1.9384430000e+00 -4.8013790000e+00 -1.1132040000e+00 -1.3088870000e+00 -5.5212980000e+00 -1.8903870000e+00 -1.8060740000e+00 -4.3210120000e+00
-ENERGY -1.526540555777e+02
-FORCES  1.7793000000e-03  4.3083000000e-03  9.8700000000e-04 -2.1316000000e-03 -2.3018000000e-03  2.3353000000e-03  3.5780000000e-04 -2.0077000000e-03 -3.3252000000e-03 -3.5072000000e-03  3.0944000000e-03 -9.0550000000e-04  1.7470000000e-04 -2.5602000000e-03  2.9187000000e-03  3.3269000000e-03 -5.3300000000e-04 -2.0103000000e-03
-
-JOB 83
-COORDS  3.4983000000e-02  8.2287000000e-02 -5.7028090000e+00 -6.2862900000e-01  1.3912100000e-01 -5.0153340000e+00  3.5872200000e-01  9.7798100000e-01 -5.7984990000e+00 -3.8311000000e-02 -1.8882600000e-01  5.6911340000e+00 -4.9402300000e-01  4.7766100000e-01  5.1769810000e+00  8.3989200000e-01  1.6849200000e-01  5.8227210000e+00
-ENERGY -1.526540223236e+02
-FORCES -1.4027000000e-03  3.8533000000e-03  2.3913000000e-03  2.7204000000e-03 -2.0440000000e-04 -2.7943000000e-03 -1.3167000000e-03 -3.6470000000e-03  4.1030000000e-04  1.7464000000e-03  4.1549000000e-03 -1.5227000000e-03  1.8509000000e-03 -2.7129000000e-03  2.0681000000e-03 -3.5983000000e-03 -1.4439000000e-03 -5.5250000000e-04
-
-JOB 84
-COORDS -5.1643520000e+00  1.5391900000e+00  1.7873140000e+00 -4.7547240000e+00  2.3754080000e+00  2.0090700000e+00 -6.1029840000e+00  1.6976280000e+00  1.8878070000e+00  5.1795990000e+00 -1.6447010000e+00 -1.7756190000e+00  4.6562890000e+00 -8.4631300000e-01 -1.7052270000e+00  5.8924550000e+00 -1.4127020000e+00 -2.3708030000e+00
-ENERGY -1.526540445572e+02
-FORCES -2.1779000000e-03  4.0275000000e-03  1.3409000000e-03 -1.6553000000e-03 -3.4011000000e-03 -9.2380000000e-04  3.8352000000e-03 -6.3370000000e-04 -4.1720000000e-04  7.0850000000e-04  4.1917000000e-03 -2.1349000000e-03  2.1805000000e-03 -3.2398000000e-03 -2.9370000000e-04 -2.8910000000e-03 -9.4460000000e-04  2.4287000000e-03
-
-JOB 85
-COORDS -3.6530570000e+00  3.8217050000e+00 -5.4914740000e+00 -4.4360220000e+00  3.9646050000e+00 -4.9597070000e+00 -3.7623110000e+00  2.9398600000e+00 -5.8473480000e+00  3.6947540000e+00 -3.8506790000e+00  5.4854080000e+00  4.4694980000e+00 -3.3422020000e+00  5.7251060000e+00  3.0746020000e+00 -3.2012690000e+00  5.1538800000e+00
-ENERGY -1.526540917222e+02
-FORCES -3.6528000000e-03 -3.0137000000e-03  6.9350000000e-04  3.2018000000e-03 -5.8280000000e-04 -2.1574000000e-03  4.5110000000e-04  3.5981000000e-03  1.4624000000e-03  6.4340000000e-04  4.7319000000e-03 -3.7960000000e-04 -3.1630000000e-03 -2.0778000000e-03 -9.7340000000e-04  2.5195000000e-03 -2.6557000000e-03  1.3547000000e-03
-
-JOB 86
-COORDS  8.4347710000e+00 -2.2580410000e+00  4.2213500000e-01  8.8604240000e+00 -2.2241010000e+00 -4.3454400000e-01  8.2217500000e+00 -3.1827370000e+00  5.4780400000e-01 -8.3945070000e+00  2.3492520000e+00 -4.0643100000e-01 -9.0272890000e+00  2.5149400000e+00  2.9240200000e-01 -8.5962700000e+00  1.4634240000e+00 -7.0781400000e-01
-ENERGY -1.526540601867e+02
-FORCES  8.5610000000e-04 -3.6231000000e-03 -2.9881000000e-03 -1.7308000000e-03 -1.4420000000e-04  3.4972000000e-03  8.7330000000e-04  3.7676000000e-03 -5.0980000000e-04 -3.3937000000e-03 -2.9349000000e-03  1.6304000000e-03  2.5762000000e-03 -6.7760000000e-04 -2.8549000000e-03  8.1880000000e-04  3.6122000000e-03  1.2251000000e-03
-
-JOB 87
-COORDS -4.1701600000e-01 -9.8023760000e+00  3.7486770000e+00 -5.5315900000e-01 -1.0012656000e+01  4.6725160000e+00 -3.1212100000e-01 -1.0652736000e+01  3.3219260000e+00  3.7913300000e-01  9.9012590000e+00 -3.7354600000e+00  1.3018740000e+00  9.6607100000e+00 -3.6522870000e+00  9.2179000000e-02  9.4760500000e+00 -4.5435980000e+00
-ENERGY -1.526540785948e+02
-FORCES -1.3200000000e-04 -4.3257000000e-03  2.0329000000e-03  5.5740000000e-04  8.5650000000e-04 -3.7703000000e-03 -4.2580000000e-04  3.4692000000e-03  1.7380000000e-03  2.5912000000e-03 -2.7302000000e-03 -2.9503000000e-03 -3.7618000000e-03  9.8870000000e-04 -3.4250000000e-04  1.1711000000e-03  1.7415000000e-03  3.2922000000e-03
-
-JOB 88
-COORDS -1.0180783000e+01  3.9816800000e+00 -2.6240900000e+00 -1.0902685000e+01  3.9299710000e+00 -3.2505210000e+00 -1.0481781000e+01  4.6038520000e+00 -1.9618710000e+00  1.0283735000e+01 -4.0701260000e+00  2.6343690000e+00  9.4102890000e+00 -4.0316340000e+00  2.2447000000e+00  1.0486510000e+01 -3.1620370000e+00  2.8590660000e+00
-ENERGY -1.526540859244e+02
-FORCES -4.1792000000e-03  2.3259000000e-03  1.4380000000e-04  2.9468000000e-03  2.1150000000e-04  2.5558000000e-03  1.2316000000e-03 -2.5375000000e-03 -2.6999000000e-03 -2.7433000000e-03  3.8619000000e-03 -6.7640000000e-04  3.5666000000e-03 -1.5790000000e-04  1.5910000000e-03 -8.2240000000e-04 -3.7040000000e-03 -9.1430000000e-04
-
-JOB 89
-COORDS -3.9610200000e-01  8.3712610000e+00 -7.6602900000e+00 -3.0527800000e-01  7.4758450000e+00 -7.9861930000e+00  4.2256000000e-01  8.8009980000e+00 -7.9079820000e+00  2.9421100000e-01 -8.3199340000e+00  7.6568290000e+00  4.1001800000e-01 -8.3177170000e+00  8.6069950000e+00  1.0737930000e+00 -8.7623800000e+00  7.3210820000e+00
-ENERGY -1.526540704926e+02
-FORCES  3.7070000000e-03 -1.9057000000e-03 -2.3344000000e-03 -3.6820000000e-04  3.6559000000e-03  1.3258000000e-03 -3.3386000000e-03 -1.7506000000e-03  1.0086000000e-03  3.6492000000e-03 -1.7932000000e-03  2.5093000000e-03 -4.7050000000e-04 -1.0700000000e-05 -3.8771000000e-03 -3.1789000000e-03  1.8043000000e-03  1.3678000000e-03
-
-JOB 0
-COORDS -1.4370400000e-01 -1.2012710000e+00  1.4439000000e-01  5.7353600000e-01 -1.8140540000e+00  3.0654500000e-01 -8.0602200000e-01 -1.4289590000e+00  7.9686600000e-01  1.9393900000e-01  1.2685730000e+00 -1.7850300000e-01 -5.0111800000e-01  1.8122970000e+00 -5.4930200000e-01 -2.0917500000e-01  4.0776700000e-01 -6.5607000000e-02
-ENERGY -1.526545319928e+02
-FORCES  7.6643000000e-03  1.5118900000e-02 -9.7880000000e-04 -5.4811000000e-03  8.1520000000e-04  4.8960000000e-04  3.6694000000e-03  3.5168000000e-03 -3.8112000000e-03 -1.0900000000e-03 -2.1225300000e-02  1.6651000000e-03  2.2710000000e-04 -5.1722000000e-03  1.7728000000e-03 -4.9897000000e-03  6.9466000000e-03  8.6250000000e-04
-
-JOB 1
-COORDS -1.6793300000e-01  1.1554910000e+00  6.4244900000e-01 -1.3451000000e-02  2.6248300000e-01  3.3438300000e-01 -7.9349500000e-01  1.5204250000e+00  1.6569000000e-02  1.7382600000e-01 -1.0934590000e+00 -5.3775300000e-01  1.0565610000e+00 -1.2955260000e+00 -8.4788000000e-01 -4.0468100000e-01 -1.4460060000e+00 -1.2139720000e+00
-ENERGY -1.526560460885e+02
-FORCES  1.1301000000e-03 -1.9480800000e-02 -1.2710600000e-02  1.4279000000e-03  4.3343000000e-03  4.0716000000e-03  9.8380000000e-04 -1.2087000000e-03  1.0903000000e-03 -2.4314000000e-03  1.4155900000e-02  4.5779000000e-03 -5.5054000000e-03  5.9380000000e-04  7.1870000000e-04  4.3950000000e-03  1.6054000000e-03  2.2522000000e-03
-
-JOB 2
-COORDS  6.0418300000e-01 -1.1831760000e+00  2.1513700000e-01  2.1065000000e-02 -4.2493700000e-01  2.5089800000e-01  9.8542600000e-01 -1.1515600000e+00 -6.6229500000e-01 -5.8602000000e-01  1.1323210000e+00 -1.1065500000e-01 -1.3725920000e+00  9.6860700000e-01 -6.3097600000e-01  5.0153000000e-02  1.4746800000e+00 -7.3859200000e-01
-ENERGY -1.526559317854e+02
-FORCES -9.1836000000e-03  1.9057500000e-02 -3.6384000000e-03  2.2751000000e-03 -8.5666000000e-03 -3.8280000000e-04 -1.0688000000e-03  1.1623000000e-03  1.7408000000e-03  5.7375000000e-03 -6.6901000000e-03 -2.8272000000e-03  6.0155000000e-03 -1.2203000000e-03  2.6432000000e-03 -3.7757000000e-03 -3.7428000000e-03  2.4644000000e-03
-
-JOB 3
-COORDS -7.3873400000e-01  5.1012000000e-02 -9.9796000000e-01 -1.5801450000e+00 -1.6115500000e-01 -5.9392500000e-01 -9.5698800000e-01  2.7783400000e-01 -1.9019230000e+00  7.8829700000e-01 -8.4337000000e-02  1.0841940000e+00  1.5333620000e+00  4.8303200000e-01  8.8619600000e-01  2.7387700000e-01 -9.5354000000e-02  2.7705000000e-01
-ENERGY -1.526567533087e+02
-FORCES  7.7903000000e-03  1.8670000000e-04  8.5480000000e-03  5.6084000000e-03  1.0550000000e-03 -2.5957000000e-03 -1.4623000000e-03 -1.0440000000e-03  4.8528000000e-03 -7.5778000000e-03  3.3076000000e-03 -1.7122900000e-02 -1.7506000000e-03 -1.3589000000e-03 -1.4850000000e-04 -2.6080000000e-03 -2.1464000000e-03  6.4664000000e-03
-
-JOB 4
-COORDS -1.1244950000e+00  2.6685000000e-01 -5.6870900000e-01 -6.7423000000e-01  4.1141800000e-01 -1.4009310000e+00 -1.8142840000e+00  9.3024900000e-01 -5.5064500000e-01  1.1708090000e+00 -2.9003200000e-01  6.7913900000e-01  3.2696000000e-01 -4.3813000000e-02  3.0029000000e-01  1.5065220000e+00 -9.7042100000e-01  9.5529000000e-02
-ENERGY -1.526580268557e+02
-FORCES  4.2817000000e-03  2.2427000000e-03  2.5716000000e-03 -6.4630000000e-04 -1.4082000000e-03  6.5087000000e-03  3.5990000000e-03 -3.3595000000e-03 -1.9780000000e-03 -1.4713200000e-02  1.3173000000e-03 -5.8724000000e-03  9.3944000000e-03 -1.7430000000e-03 -1.3172000000e-03 -1.9156000000e-03  2.9508000000e-03  8.7300000000e-05
-
-JOB 5
-COORDS -4.5820400000e-01  3.1818800000e-01  1.2595020000e+00 -6.0688700000e-01  1.2617840000e+00  1.1982420000e+00  1.6465200000e-01  1.2735300000e-01  5.5817100000e-01  4.3153700000e-01 -3.0890800000e-01 -1.1653880000e+00 -2.7789900000e-01 -9.3926100000e-01 -1.2902410000e+00  1.1085130000e+00 -5.8392600000e-01 -1.7836920000e+00
-ENERGY -1.526600548625e+02
-FORCES  6.5530000000e-03  4.2020000000e-04 -1.3065200000e-02  4.9510000000e-04 -2.6085000000e-03 -1.5300000000e-05 -4.3172000000e-03  5.0500000000e-05  6.7589000000e-03 -3.6122000000e-03 -1.3145000000e-03  3.9707000000e-03  5.3251000000e-03  2.7331000000e-03 -1.9880000000e-04 -4.4439000000e-03  7.1920000000e-04  2.5497000000e-03
-
-JOB 6
-COORDS -5.6473400000e-01  9.5373700000e-01 -7.8760700000e-01 -2.3971000000e-02  4.9488300000e-01 -1.4475400000e-01  1.0252000000e-02  1.6298860000e+00 -1.1459980000e+00  5.1077400000e-01 -9.2409000000e-01  7.0990100000e-01  6.9580300000e-01 -6.8163400000e-01  1.6172100000e+00  2.1045300000e-01 -1.8315500000e+00  7.6045800000e-01
-ENERGY -1.526578401329e+02
-FORCES  6.8316000000e-03 -1.1362700000e-02  7.3674000000e-03 -1.0422000000e-03  9.2915000000e-03 -1.5198000000e-03 -2.4360000000e-04 -3.2336000000e-03  2.7650000000e-03 -6.7788000000e-03  1.4406000000e-03 -5.1968000000e-03 -1.6130000000e-03  9.7900000000e-05 -5.6408000000e-03  2.8459000000e-03  3.7663000000e-03  2.2250000000e-03
-
-JOB 7
-COORDS  4.7107600000e-01  1.1583600000e+00 -3.1927100000e-01  1.0189910000e+00  1.9324490000e+00 -1.8962700000e-01 -3.0156900000e-01  1.4856370000e+00 -7.7986000000e-01 -5.0966400000e-01 -1.2122190000e+00  3.6635300000e-01 -1.1435000000e-01 -2.0450300000e+00  1.0870200000e-01  1.0743100000e-01 -5.4829700000e-01  5.8726000000e-02
-ENERGY -1.526599116775e+02
-FORCES -3.4310000000e-03 -3.1105000000e-03  2.2382000000e-03 -3.8168000000e-03 -2.2515000000e-03 -1.5189000000e-03  5.0767000000e-03 -5.7640000000e-04  2.0003000000e-03  6.7306000000e-03  9.6104000000e-03 -2.4511000000e-03  1.8810000000e-04  3.9287000000e-03  2.5240000000e-04 -4.7477000000e-03 -7.6008000000e-03 -5.2080000000e-04
-
-JOB 8
-COORDS  6.8490100000e-01 -2.8428300000e-01 -1.1850000000e+00  9.0005500000e-01  6.2757800000e-01 -1.3810860000e+00  2.8529800000e-01 -2.5498000000e-01 -3.1569500000e-01 -6.4831400000e-01  2.2847300000e-01  1.0857980000e+00 -2.1753000000e-01  7.1644000000e-02  1.9260730000e+00 -1.5711000000e+00  3.5144700000e-01  1.3084530000e+00
-ENERGY -1.526594251292e+02
-FORCES -8.3048000000e-03  5.8238000000e-03  1.2440000000e-02 -3.1920000000e-04 -2.2369000000e-03  2.0520000000e-04  6.1625000000e-03 -2.6116000000e-03 -4.0155000000e-03 -1.3800000000e-05 -1.6699000000e-03 -5.0854000000e-03 -2.5973000000e-03  7.0940000000e-04 -4.7808000000e-03  5.0725000000e-03 -1.4800000000e-05  1.2364000000e-03
-
-JOB 9
-COORDS -1.1267640000e+00 -6.2945900000e-01 -5.6865000000e-02 -1.0221540000e+00 -1.5794870000e+00 -1.0917100000e-01 -2.0562220000e+00 -4.8044800000e-01 -2.3046400000e-01  1.1777110000e+00  7.3530000000e-01  5.7512000000e-02  1.9043480000e+00  1.2209100000e-01  1.6799000000e-01  3.9243800000e-01  1.9966500000e-01  1.7008700000e-01
-ENERGY -1.526583397684e+02
-FORCES  3.2744000000e-03  4.2037000000e-03 -1.3504000000e-03 -2.2610000000e-04  5.0446000000e-03  4.5380000000e-04  3.8711000000e-03 -3.2279000000e-03  4.8020000000e-04 -1.1853600000e-02 -7.3597000000e-03 -4.9970000000e-04 -3.5894000000e-03  2.5270000000e-04 -4.8480000000e-04  8.5236000000e-03  1.0867000000e-03  1.4009000000e-03
-
-JOB 10
-COORDS -1.4788100000e-01 -1.0233290000e+00  8.1782700000e-01 -3.4701100000e-01 -1.8425210000e+00  3.6450100000e-01 -9.0564500000e-01 -8.7120700000e-01  1.3825250000e+00  1.3886100000e-01  1.0723690000e+00 -8.3404100000e-01  9.2288700000e-01  1.5842080000e+00 -1.0329260000e+00  4.6768300000e-01  2.9589400000e-01 -3.8105800000e-01
-ENERGY -1.526592244559e+02
-FORCES -5.6257000000e-03  5.0228000000e-03 -2.1253000000e-03  1.0813000000e-03  4.4527000000e-03  1.6599000000e-03  3.2350000000e-03 -3.1050000000e-03 -1.8763000000e-03  7.8000000000e-05 -8.8366000000e-03  7.6188000000e-03 -1.9753000000e-03 -3.5142000000e-03  2.1734000000e-03  3.2066000000e-03  5.9804000000e-03 -7.4505000000e-03
-
-JOB 11
-COORDS -2.5303000000e-02 -6.9791400000e-01  1.2065840000e+00  1.0796100000e-01 -4.3652000000e-02  5.2071700000e-01  7.9538500000e-01 -6.9973800000e-01  1.6992310000e+00 -1.1127000000e-02  6.3777300000e-01 -1.1305540000e+00 -7.9710000000e-01  3.5755300000e-01 -1.5995470000e+00  4.2277400000e-01  1.2444990000e+00 -1.7304250000e+00
-ENERGY -1.526600905319e+02
-FORCES  2.8082000000e-03  6.9198000000e-03 -1.0437000000e-02 -1.1856000000e-03 -4.2408000000e-03  7.5665000000e-03 -1.8423000000e-03  1.0131000000e-03 -2.4136000000e-03 -1.4032000000e-03 -3.1989000000e-03  2.6590000000e-03  4.4354000000e-03  2.8096000000e-03  1.0181000000e-03 -2.8125000000e-03 -3.3028000000e-03  1.6069000000e-03
-
-JOB 12
-COORDS  1.0043780000e+00 -4.7181200000e-01 -7.6310800000e-01  8.8609500000e-01 -1.4200050000e+00 -7.0680100000e-01  1.7529750000e+00 -2.8920700000e-01 -1.9522600000e-01 -1.0324480000e+00  5.4822400000e-01  7.8846300000e-01 -1.8298450000e+00  3.3164200000e-01  3.0526300000e-01 -3.2242500000e-01  2.0486200000e-01  2.4606000000e-01
-ENERGY -1.526603933804e+02
-FORCES  9.9170000000e-04 -1.9579000000e-03  3.3126000000e-03 -3.1910000000e-04  5.7929000000e-03  5.3870000000e-04 -5.8786000000e-03 -1.1390000000e-03 -2.2030000000e-03  8.9259000000e-03 -5.0012000000e-03 -1.1307100000e-02  2.6741000000e-03 -3.7590000000e-04  1.0650000000e-03 -6.3940000000e-03  2.6811000000e-03  8.5937000000e-03
-
-JOB 13
-COORDS -7.6514200000e-01 -5.0830200000e-01 -1.0544390000e+00 -1.0508310000e+00 -1.4089090000e+00 -9.0107800000e-01 -1.8722300000e-01 -3.1104100000e-01 -3.1733000000e-01  7.7601300000e-01  5.5367700000e-01  9.4484100000e-01  8.1780200000e-01 -2.5861100000e-01  1.4494940000e+00  2.8734700000e-01  1.1582930000e+00  1.5033000000e+00
-ENERGY -1.526575067666e+02
-FORCES  7.6768000000e-03  5.2020000000e-03  9.1706000000e-03  2.3906000000e-03  3.3934000000e-03  1.9369000000e-03 -5.3792000000e-03 -9.1292000000e-03 -4.0948000000e-03 -4.2888000000e-03  1.5118000000e-03  1.6729000000e-03 -3.5667000000e-03  2.9460000000e-03 -6.6389000000e-03  3.1673000000e-03 -3.9240000000e-03 -2.0466000000e-03
-
-JOB 14
-COORDS -1.0341400000e-01  8.9830300000e-01 -9.6932300000e-01 -8.8613100000e-01  1.4436540000e+00 -8.9071700000e-01 -6.7842000000e-02  6.6172100000e-01 -1.8961430000e+00  1.4043100000e-01 -9.8305800000e-01  1.0482380000e+00  5.6110000000e-03 -7.6123800000e-01  1.2690700000e-01  3.3690500000e-01 -1.4664700000e-01  1.4701930000e+00
-ENERGY -1.526583115347e+02
-FORCES -2.7322000000e-03  4.4040000000e-04  6.4630000000e-04  4.3236000000e-03 -2.5626000000e-03 -5.9480000000e-04 -9.0920000000e-04 -4.0860000000e-04  5.6508000000e-03  2.2740000000e-04  1.2585100000e-02 -9.2698000000e-03  2.5300000000e-05 -7.3845000000e-03  1.7736000000e-03 -9.3500000000e-04 -2.6699000000e-03  1.7940000000e-03
-
-JOB 15
-COORDS -5.0539200000e-01 -1.2274540000e+00 -1.2391600000e-01 -1.4430060000e+00 -1.1660820000e+00 -3.0652600000e-01 -2.0659400000e-01 -1.9695260000e+00 -6.4954100000e-01  5.8379000000e-01  1.3165640000e+00  1.4677100000e-01  8.3246100000e-01  3.9400300000e-01  2.0400700000e-01 -3.4744500000e-01  1.3282720000e+00  3.6789900000e-01
-ENERGY -1.526563612117e+02
-FORCES -1.8944000000e-03  2.5520000000e-03 -3.2836000000e-03  4.1577000000e-03 -1.3160000000e-04  1.1264000000e-03 -9.7010000000e-04  3.9509000000e-03  2.4426000000e-03 -7.3647000000e-03 -1.2942500000e-02 -4.0450000000e-04  5.1443000000e-03  3.9878000000e-03  5.4840000000e-04  9.2720000000e-04  2.5834000000e-03 -4.2940000000e-04
-
-JOB 16
-COORDS -3.3523800000e-01  1.0176230000e+00 -8.2209500000e-01  4.3861400000e-01  1.1576590000e+00 -1.3677820000e+00 -5.0663400000e-01  1.8715600000e+00 -4.2504900000e-01  3.5977600000e-01 -1.0669750000e+00  8.5839400000e-01  3.1471000000e-02 -5.6949600000e-01  1.0942000000e-01 -3.3944800000e-01 -1.6893920000e+00  1.0581820000e+00
-ENERGY -1.526603471371e+02
-FORCES  2.7722000000e-03  2.3775000000e-03  4.9943000000e-03 -3.8032000000e-03 -1.3585000000e-03  3.4997000000e-03  1.0883000000e-03 -2.8630000000e-03 -3.5955000000e-03 -5.4803000000e-03  7.8924000000e-03 -6.9374000000e-03  4.0015000000e-03 -8.9685000000e-03  3.2492000000e-03  1.4216000000e-03  2.9201000000e-03 -1.2102000000e-03
-
-JOB 17
-COORDS -5.9536000000e-02  1.2728550000e+00 -4.1447900000e-01 -6.5710000000e-02  1.7627570000e+00  4.0782800000e-01 -4.5477500000e-01  1.8680990000e+00 -1.0514270000e+00  4.7708000000e-02 -1.3272850000e+00  4.6490700000e-01  1.6964000000e-01 -6.3065000000e-01 -1.8012300000e-01  4.6992400000e-01 -2.0924700000e+00  7.4450000000e-02
-ENERGY -1.526605511964e+02
-FORCES -2.0390000000e-03  5.6600000000e-05  3.7899000000e-03 -2.5870000000e-04 -4.1370000000e-04 -5.0538000000e-03  1.7151000000e-03 -1.9351000000e-03  3.4650000000e-03  3.6950000000e-04  7.7105000000e-03 -4.9358000000e-03  1.5529000000e-03 -9.1922000000e-03  2.8362000000e-03 -1.3399000000e-03  3.7739000000e-03 -1.0150000000e-04
-
-JOB 18
-COORDS  1.4352000000e-01 -1.3996830000e+00 -2.6107100000e-01  3.4558200000e-01 -4.6422300000e-01 -2.7887000000e-01 -5.2736900000e-01 -1.5131430000e+00 -9.3432200000e-01 -1.1676400000e-01  1.2922150000e+00  3.2496400000e-01  6.2683500000e-01  1.7874810000e+00 -1.8555000000e-02 -8.6458300000e-01  1.8811060000e+00  2.2394100000e-01
-ENERGY -1.526568652524e+02
-FORCES -4.6050000000e-03  1.2672000000e-02  1.0582000000e-03  5.7622000000e-03 -5.6796000000e-03 -3.3080000000e-03  1.7396000000e-03  1.1470000000e-04  1.9389000000e-03 -3.3115000000e-03  2.6520000000e-04 -4.2850000000e-04 -3.9223000000e-03 -5.4536000000e-03  3.6290000000e-04  4.3370000000e-03 -1.9187000000e-03  3.7640000000e-04
-
-JOB 19
-COORDS -6.5978900000e-01  4.2797400000e-01  1.0922430000e+00 -2.5902600000e-01 -2.4840100000e-01  1.6382630000e+00 -1.5422520000e+00  5.3203400000e-01  1.4481410000e+00  6.7291300000e-01 -3.9444600000e-01 -1.2197500000e+00  1.4548680000e+00 -7.3019700000e-01 -7.8151500000e-01  1.3491300000e-01 -3.9539000000e-02 -5.1205800000e-01
-ENERGY -1.526593653954e+02
-FORCES -2.0034000000e-03 -2.5822000000e-03  1.8600000000e-04 -1.3886000000e-03  3.2268000000e-03 -4.3709000000e-03  4.8039000000e-03 -1.0970000000e-03 -2.1370000000e-04 -4.6818000000e-03  4.4800000000e-03  1.0068600000e-02 -3.0223000000e-03  6.1850000000e-04 -4.3000000000e-06  6.2923000000e-03 -4.6460000000e-03 -5.6658000000e-03
-
-JOB 20
-COORDS  3.4560000000e-01  1.2964770000e+00  1.1164000000e-01  5.9325400000e-01  1.4886540000e+00  1.0160560000e+00  7.6520800000e-01  1.9854200000e+00 -4.0364500000e-01 -3.6030500000e-01 -1.4025550000e+00 -1.6415400000e-01 -3.3710400000e-01 -5.1803900000e-01 -5.2929200000e-01 -8.2768900000e-01 -1.3074110000e+00  6.6574500000e-01
-ENERGY -1.526579352277e+02
-FORCES  2.7929000000e-03 -1.5302000000e-03  3.0900000000e-03 -1.3915000000e-03  4.1960000000e-04 -4.1246000000e-03 -1.7017000000e-03 -3.5829000000e-03  2.5240000000e-03  1.1985000000e-03  1.2376500000e-02  2.9542000000e-03 -2.4651000000e-03 -6.4340000000e-03 -2.9143000000e-03  1.5669000000e-03 -1.2490000000e-03 -1.5293000000e-03
-
-JOB 21
-COORDS -6.5545600000e-01  1.3064980000e+00 -1.4043300000e-01 -2.7370600000e-01  4.8690400000e-01  1.7383600000e-01 -3.3370400000e-01  1.3925440000e+00 -1.0378210000e+00  5.6152700000e-01 -1.2483450000e+00  1.3241100000e-01  6.4196600000e-01 -2.0422730000e+00  6.6103200000e-01  1.3158090000e+00 -7.1528200000e-01  3.8367600000e-01
-ENERGY -1.526580030355e+02
-FORCES  2.0536000000e-03 -1.0744100000e-02 -2.5157000000e-03  3.4358000000e-03  8.5274000000e-03  8.6480000000e-04 -1.9090000000e-04  4.2580000000e-04  3.1427000000e-03  1.5909000000e-03 -2.1970000000e-03  2.6126000000e-03  8.6690000000e-04  3.9997000000e-03 -2.7990000000e-03 -7.7563000000e-03 -1.1800000000e-05 -1.3054000000e-03
-
-JOB 22
-COORDS  1.1836410000e+00  5.0327600000e-01  6.7687400000e-01  3.7314700000e-01  2.8282000000e-02  4.9326400000e-01  9.3847000000e-01  1.1491150000e+00  1.3394550000e+00 -1.1136120000e+00 -4.4583100000e-01 -7.0171600000e-01 -8.5684500000e-01 -1.0296150000e+00 -1.4155080000e+00 -1.4747510000e+00 -1.0282660000e+00 -3.3450000000e-02
-ENERGY -1.526579662274e+02
-FORCES -1.0060600000e-02 -7.1150000000e-04 -4.7803000000e-03  6.0748000000e-03 -5.1040000000e-04  8.0922000000e-03 -1.1400000000e-04 -2.6796000000e-03 -2.1229000000e-03  4.9520000000e-04 -3.2044000000e-03 -3.9419000000e-03 -1.9834000000e-03  2.4486000000e-03  4.2164000000e-03  5.5879000000e-03  4.6573000000e-03 -1.4635000000e-03
-
-JOB 23
-COORDS -1.2717340000e+00 -2.4636500000e-01 -5.2003000000e-01 -1.5692180000e+00  3.2631100000e-01 -1.2269790000e+00 -1.2808810000e+00 -1.1239430000e+00 -9.0213800000e-01  1.2702760000e+00  3.2088200000e-01  6.2299300000e-01  2.1374150000e+00 -7.6015000000e-02  5.4068600000e-01  7.0918500000e-01 -2.0872900000e-01  5.6494000000e-02
-ENERGY -1.526575206585e+02
-FORCES -3.3036000000e-03  2.1145000000e-03 -3.3791000000e-03  1.0412000000e-03 -3.6719000000e-03  3.1112000000e-03  3.3780000000e-03  4.8562000000e-03  2.3755000000e-03 -6.1776000000e-03 -2.5980000000e-03 -3.6150000000e-03 -4.4336000000e-03  4.7260000000e-04 -8.1640000000e-04  9.4956000000e-03 -1.1733000000e-03  2.3239000000e-03
-
-JOB 24
-COORDS -8.3753300000e-01 -1.1925460000e+00  2.8737600000e-01 -3.0854700000e-01 -3.9580200000e-01  2.4731100000e-01 -1.6455510000e+00 -9.2245100000e-01  7.2371100000e-01  7.9858700000e-01  1.1498170000e+00 -2.7012700000e-01  1.0485270000e+00  1.4679160000e+00 -1.1376370000e+00  1.4310380000e+00  4.5780200000e-01 -7.6859000000e-02
-ENERGY -1.526588154676e+02
-FORCES  3.2410000000e-04  9.8576000000e-03 -8.5270000000e-04  2.0842000000e-03 -8.8778000000e-03  3.5987000000e-03  2.4877000000e-03 -8.6580000000e-04 -1.5133000000e-03  3.0247000000e-03 -5.4580000000e-04 -5.4691000000e-03  1.4700000000e-04 -1.0526000000e-03  4.5587000000e-03 -8.0677000000e-03  1.4844000000e-03 -3.2240000000e-04
-
-JOB 25
-COORDS  8.8870300000e-01 -6.9436000000e-01 -1.0058670000e+00 -2.0755000000e-02 -6.3561000000e-01 -7.1317600000e-01  1.3762820000e+00 -1.5403200000e-01 -3.8414000000e-01 -8.0183100000e-01  6.4874500000e-01  9.4608800000e-01 -1.3650340000e+00  2.0191400000e-01  1.5780490000e+00 -1.3714680000e+00  1.2985430000e+00  5.3437500000e-01
-ENERGY -1.526591203450e+02
-FORCES -5.2027000000e-03  6.1088000000e-03  9.6753000000e-03  1.4685000000e-03 -3.5494000000e-03 -5.5260000000e-03  1.7371000000e-03 -2.1002000000e-03 -3.4376000000e-03 -3.1648000000e-03  1.8588000000e-03  1.6950000000e-03  2.5063000000e-03  1.8632000000e-03 -3.9755000000e-03  2.6556000000e-03 -4.1813000000e-03  1.5688000000e-03
-
-JOB 26
-COORDS  9.5888100000e-01 -8.5913000000e-01  6.9900900000e-01  1.1543650000e+00 -6.2851700000e-01 -2.0919500000e-01  6.2326000000e-01 -1.7543490000e+00  6.5238700000e-01 -9.0576500000e-01  8.9395300000e-01 -7.0282100000e-01 -8.0354600000e-01  4.8044500000e-01  1.5438100000e-01 -1.8102960000e+00  1.2069580000e+00 -7.1195000000e-01
-ENERGY -1.526603218970e+02
-FORCES  1.6614000000e-03 -2.7359000000e-03 -6.3379000000e-03 -9.8290000000e-04 -1.8350000000e-03  5.7820000000e-03  4.6460000000e-04  4.4032000000e-03  3.9310000000e-04 -2.8860000000e-04 -1.3753000000e-03  5.3931000000e-03 -4.1963000000e-03  3.6552000000e-03 -6.5357000000e-03  3.3417000000e-03 -2.1122000000e-03  1.3053000000e-03
-
-JOB 27
-COORDS  3.2338800000e-01 -1.1051700000e-01 -1.3737340000e+00 -5.9557800000e-01  1.5652200000e-01 -1.3531490000e+00  4.9891200000e-01 -2.9560100000e-01 -2.2963210000e+00 -3.5055100000e-01  9.0978000000e-02  1.4461060000e+00  2.7498600000e-01  6.3034000000e-01  1.9298660000e+00  1.2142100000e-01 -1.7431500000e-01  6.5674300000e-01
-ENERGY -1.526607748118e+02
-FORCES -2.3991000000e-03  1.5660000000e-04 -3.5783000000e-03  5.7100000000e-03 -2.4725000000e-03  2.0380000000e-04 -2.0922000000e-03  1.7967000000e-03  3.3547000000e-03  6.5588000000e-03  1.3790000000e-04 -4.3471000000e-03 -1.9898000000e-03 -1.8786000000e-03 -1.5116000000e-03 -5.7877000000e-03  2.2599000000e-03  5.8786000000e-03
-
-JOB 28
-COORDS  1.2708320000e+00  8.1150000000e-02  8.0212200000e-01  5.0237900000e-01 -7.9794000000e-02  2.5457400000e-01  9.4817900000e-01 -3.3780000000e-03  1.6993290000e+00 -1.1382800000e+00 -7.7295000000e-02 -8.1418800000e-01 -1.6478140000e+00  6.9165800000e-01 -5.5861600000e-01 -1.7586750000e+00 -6.2865300000e-01 -1.2909980000e+00
-ENERGY -1.526611174849e+02
-FORCES -8.3537000000e-03 -2.5273000000e-03 -3.2107000000e-03  7.2048000000e-03  2.5170000000e-03  6.0305000000e-03  5.3310000000e-04  7.1090000000e-04 -2.8058000000e-03 -3.0240000000e-03  4.6600000000e-05 -1.4049000000e-03  2.1168000000e-03 -4.5331000000e-03 -8.1340000000e-04  1.5230000000e-03  3.7859000000e-03  2.2042000000e-03
-
-JOB 29
-COORDS  4.3740000000e-01  8.9439700000e-01  1.1438630000e+00  3.0709200000e-01  4.9527800000e-01  2.8365600000e-01 -4.4708300000e-01  1.0836160000e+00  1.4571010000e+00 -3.6648000000e-01 -8.2807900000e-01 -1.1505890000e+00 -1.2024090000e+00 -1.1088410000e+00 -7.7826400000e-01  2.6526000000e-01 -1.4753840000e+00 -8.3732800000e-01
-ENERGY -1.526598625342e+02
-FORCES -5.6504000000e-03 -2.8316000000e-03 -8.0351000000e-03  3.8589000000e-03  2.8342000000e-03  8.6208000000e-03  2.5523000000e-03 -1.2074000000e-03 -7.1560000000e-04 -1.9717000000e-03 -6.2995000000e-03  1.8079000000e-03  4.4025000000e-03  2.3079000000e-03 -1.0357000000e-03 -3.1917000000e-03  5.1964000000e-03 -6.4220000000e-04
-
-JOB 30
-COORDS -4.2171300000e-01 -8.9743400000e-01  1.0138730000e+00 -4.5820000000e-03 -1.0404800000e+00  1.8634440000e+00 -1.2717410000e+00 -1.3312790000e+00  1.0877900000e+00  4.6253900000e-01  9.3874700000e-01 -1.1337340000e+00  3.6735700000e-01  9.0507000000e-02 -7.0053500000e-01  2.7904700000e-01  1.5805260000e+00 -4.4767100000e-01
-ENERGY -1.526603343970e+02
-FORCES -1.9456000000e-03 -1.9151000000e-03  2.9519000000e-03 -2.6826000000e-03  8.1060000000e-04 -3.6478000000e-03  4.1998000000e-03  1.8295000000e-03  6.0950000000e-04 -3.5711000000e-03 -4.3399000000e-03  9.2217000000e-03  2.7596000000e-03  3.6672000000e-03 -6.2950000000e-03  1.2398000000e-03 -5.2300000000e-05 -2.8404000000e-03
-
-JOB 31
-COORDS -5.6735900000e-01  1.3279760000e+00  5.5452000000e-01 -1.1556840000e+00  7.0099100000e-01  9.7522900000e-01 -1.8442900000e-01  8.4405200000e-01 -1.7720000000e-01  5.1386000000e-01 -1.2590070000e+00 -5.4265500000e-01  1.1535720000e+00 -8.1617800000e-01 -1.1002430000e+00  1.0420030000e+00 -1.7205160000e+00  1.0873200000e-01
-ENERGY -1.526572922143e+02
-FORCES  1.0840000000e-04 -1.1133000000e-02 -2.4184000000e-03  8.2150000000e-04  3.6236000000e-03  4.6430000000e-04  7.7470000000e-04  6.5898000000e-03 -6.6070000000e-04  5.5185000000e-03 -1.1171000000e-03  2.5327000000e-03 -4.7968000000e-03  4.7080000000e-04  3.5677000000e-03 -2.4264000000e-03  1.5659000000e-03 -3.4856000000e-03
-
-JOB 32
-COORDS  8.0342200000e-01 -1.0459340000e+00 -6.6837000000e-01  1.3599870000e+00 -1.7050270000e+00 -2.5356500000e-01 -8.9442000000e-02 -1.3554320000e+00 -5.1593100000e-01 -8.0235500000e-01  1.1483940000e+00  6.6366300000e-01 -1.1702220000e+00  7.4672700000e-01 -1.2346300000e-01 -3.0903000000e-02  6.1879900000e-01  8.6521300000e-01
-ENERGY -1.526556520708e+02
-FORCES -9.9510000000e-04 -5.3397000000e-03  3.9570000000e-04 -2.9175000000e-03  3.8627000000e-03 -1.1408000000e-03  3.4407000000e-03  4.4215000000e-03  7.5900000000e-05  6.2689000000e-03 -4.6945000000e-03 -5.7396000000e-03 -8.2300000000e-04 -5.0650000000e-04  3.1415000000e-03 -4.9739000000e-03  2.2565000000e-03  3.2672000000e-03
-
-JOB 33
-COORDS -7.6458900000e-01  5.4891800000e-01  1.2343490000e+00 -1.0027500000e-01  6.5725800000e-01  5.5377500000e-01 -1.5017360000e+00  1.3406600000e-01  7.8630500000e-01  7.8476700000e-01 -5.0412400000e-01 -1.1062770000e+00  1.1006600000e+00 -2.2332900000e-01 -1.9651120000e+00  2.2472700000e-01 -1.2580210000e+00 -1.2912790000e+00
-ENERGY -1.526589201571e+02
-FORCES  3.1844000000e-03 -2.8403000000e-03 -8.6378000000e-03 -4.1627000000e-03  3.2266000000e-03  6.1965000000e-03  1.5135000000e-03  5.7470000000e-04  1.8953000000e-03 -5.7570000000e-04 -3.6936000000e-03 -3.8050000000e-03 -1.9374000000e-03 -1.4283000000e-03  4.0823000000e-03  1.9780000000e-03  4.1608000000e-03  2.6870000000e-04
-
-JOB 34
-COORDS -1.2385810000e+00 -5.8255700000e-01 -7.3268000000e-01 -6.5266400000e-01 -9.7307000000e-02 -1.3135970000e+00 -6.7086600000e-01 -9.0161900000e-01 -3.1160000000e-02  1.1812690000e+00  5.4006000000e-01  6.7074600000e-01  1.2933560000e+00  1.4744950000e+00  8.4538800000e-01  9.5445900000e-01  1.6259200000e-01  1.5206330000e+00
-ENERGY -1.526561505205e+02
-FORCES  1.0212700000e-02  4.1725000000e-03  2.2606000000e-03 -4.2265000000e-03 -1.7329000000e-03 -9.9570000000e-04 -3.8131000000e-03 -2.2425000000e-03  4.2580000000e-04 -1.9745000000e-03  3.7250000000e-03  4.0297000000e-03 -6.2700000000e-05 -4.1531000000e-03 -7.7320000000e-04 -1.3580000000e-04  2.3100000000e-04 -4.9473000000e-03
-
-JOB 35
-COORDS -4.7732100000e-01 -3.7995500000e-01  1.4179820000e+00 -1.2469900000e-01 -1.9170600000e-01  5.4824000000e-01  2.4100300000e-01 -1.7712800000e-01  2.0172340000e+00  3.8462800000e-01  3.5025400000e-01 -1.3433020000e+00  4.0767900000e-01 -2.6687400000e-01 -2.0746390000e+00  9.1779800000e-01  1.0893430000e+00 -1.6360630000e+00
-ENERGY -1.526613787178e+02
-FORCES  4.7754000000e-03  2.8018000000e-03 -6.4898000000e-03 -2.6700000000e-03 -3.0991000000e-03  9.2694000000e-03 -2.0505000000e-03 -3.0610000000e-04 -2.0591000000e-03  1.5123000000e-03  8.9990000000e-04 -4.1040000000e-03  5.0380000000e-04  3.6253000000e-03  2.9195000000e-03 -2.0710000000e-03 -3.9219000000e-03  4.6400000000e-04
-
-JOB 36
-COORDS  1.0107740000e+00 -9.0546000000e-01 -7.6403100000e-01  2.9101800000e-01 -1.5339190000e+00 -7.0726200000e-01  5.8071300000e-01 -5.1541000000e-02 -8.0987400000e-01 -8.9099700000e-01  9.2638500000e-01  7.4001900000e-01 -1.0542260000e+00  5.9418800000e-01  1.6227610000e+00 -1.6547240000e+00  6.4885100000e-01  2.3412500000e-01
-ENERGY -1.526559915913e+02
-FORCES -7.0097000000e-03  4.6628000000e-03  4.3874000000e-03  2.1602000000e-03  1.3440000000e-03 -6.0540000000e-04  2.5059000000e-03 -4.3948000000e-03 -4.9431000000e-03 -2.3498000000e-03 -3.1830000000e-03  4.3926000000e-03 -5.6570000000e-04  1.6913000000e-03 -4.0719000000e-03  5.2591000000e-03 -1.2030000000e-04  8.4050000000e-04
-
-JOB 37
-COORDS -3.2445500000e-01 -6.3145000000e-02  1.5609100000e+00 -5.1669100000e-01 -4.2158100000e-01  6.9442300000e-01  1.8528700000e-01  7.2786800000e-01  1.3857160000e+00  2.5222800000e-01 -2.0355000000e-02 -1.4921350000e+00  1.1856200000e+00 -7.7185000000e-02 -1.2877290000e+00  1.0718600000e-01  9.0338700000e-01 -1.6968190000e+00
-ENERGY -1.526583145459e+02
-FORCES  1.1150000000e-03  1.5208000000e-03 -9.0209000000e-03 -4.6310000000e-04 -7.3600000000e-05  7.6446000000e-03 -7.5160000000e-04 -1.8010000000e-03  1.3802000000e-03  4.1138000000e-03  3.6198000000e-03 -2.2633000000e-03 -5.0649000000e-03  9.8360000000e-04  6.9200000000e-05  1.0508000000e-03 -4.2495000000e-03  2.1902000000e-03
-
-JOB 38
-COORDS -2.7899200000e-01 -1.1990520000e+00  8.2703500000e-01  2.9874100000e-01 -1.9612480000e+00  8.6593900000e-01 -1.0904950000e+00 -1.5323180000e+00  4.4411300000e-01  2.5734500000e-01  1.3093170000e+00 -8.4608600000e-01 -1.0082000000e-01  6.0043900000e-01 -3.1181800000e-01  1.2057990000e+00  1.2321790000e+00 -7.4256900000e-01
-ENERGY -1.526601664299e+02
-FORCES  2.5550000000e-04 -6.0907000000e-03 -5.6720000000e-04 -3.1832000000e-03  3.0476000000e-03  1.0900000000e-05  4.5198000000e-03  2.7000000000e-03  1.1653000000e-03  2.3165000000e-03 -7.3121000000e-03  6.1960000000e-03 -1.5112000000e-03  6.7590000000e-03 -5.7199000000e-03 -2.3973000000e-03  8.9630000000e-04 -1.0851000000e-03
-
-JOB 39
-COORDS -1.1752550000e+00 -7.1862800000e-01  7.3860400000e-01 -9.6577200000e-01 -7.6800200000e-01  1.6712940000e+00 -4.4190600000e-01 -2.3933900000e-01  3.5297100000e-01  1.1355930000e+00  6.9759900000e-01 -7.1337900000e-01  3.2244800000e-01  9.4765800000e-01 -1.1521240000e+00  1.7170790000e+00  4.2468400000e-01 -1.4230430000e+00
-ENERGY -1.526590845840e+02
-FORCES  7.7921000000e-03  1.9403000000e-03  1.5894000000e-03 -9.8900000000e-04 -8.2900000000e-05 -3.0512000000e-03 -9.0583000000e-03  3.2600000000e-05  3.5300000000e-05  1.9379000000e-03 -1.1740000000e-04 -6.7343000000e-03  2.9923000000e-03 -4.1401000000e-03  5.4109000000e-03 -2.6750000000e-03  2.3676000000e-03  2.7498000000e-03
-
-JOB 40
-COORDS  6.3119000000e-01  4.1671200000e-01  1.2726450000e+00  6.7423000000e-02  6.3223800000e-01  2.0155760000e+00  1.5177180000e+00  4.2594900000e-01  1.6334970000e+00 -7.1424500000e-01 -4.7372700000e-01 -1.3719560000e+00 -1.8375200000e-01  1.1884200000e-01 -1.9045640000e+00 -3.2786100000e-01 -4.2155700000e-01 -4.9776100000e-01
-ENERGY -1.526609121949e+02
-FORCES  1.8304000000e-03  1.3671000000e-03  5.0800000000e-03  3.2584000000e-03 -1.1249000000e-03 -3.0889000000e-03 -4.2192000000e-03  6.2860000000e-04 -9.4040000000e-04  5.6985000000e-03  4.1586000000e-03  5.1697000000e-03 -1.8203000000e-03 -2.1402000000e-03  6.8570000000e-04 -4.7477000000e-03 -2.8891000000e-03 -6.9062000000e-03
-
-JOB 41
-COORDS -6.8092500000e-01  1.2428900000e+00  5.5398700000e-01 -1.1211530000e+00  2.0403930000e+00  2.6001300000e-01 -3.2039400000e-01  1.4698320000e+00  1.4111600000e+00  6.9319500000e-01 -1.3814660000e+00 -5.8149400000e-01  1.1744840000e+00 -8.1488800000e-01 -1.1844710000e+00  1.0714700000e-01 -7.8853500000e-01 -1.1116200000e-01
-ENERGY -1.526602136160e+02
-FORCES -1.4206000000e-03  5.4440000000e-03  1.9115000000e-03  2.4016000000e-03 -2.8234000000e-03  2.0923000000e-03 -1.7583000000e-03 -9.9830000000e-04 -4.2123000000e-03 -2.5244000000e-03  8.1068000000e-03  1.5940000000e-04 -6.8160000000e-04 -2.7213000000e-03  1.2840000000e-03  3.9833000000e-03 -7.0078000000e-03 -1.2350000000e-03
-
-JOB 42
-COORDS -2.9689400000e-01 -9.2087200000e-01  1.3396380000e+00  3.6093000000e-01 -3.1680100000e-01  1.6840180000e+00 -3.7506900000e-01 -6.8852200000e-01  4.1436200000e-01  2.7067700000e-01  8.1676200000e-01 -1.3201490000e+00 -4.5764800000e-01  1.4005510000e+00 -1.5322000000e+00  8.6482800000e-01  1.3546290000e+00 -7.9677900000e-01
-ENERGY -1.526585725793e+02
-FORCES  2.9845000000e-03  4.3971000000e-03 -5.9721000000e-03 -1.9692000000e-03 -1.5421000000e-03 -5.6080000000e-04 -1.6133000000e-03 -3.3807000000e-03  7.3895000000e-03  3.3440000000e-04  6.8229000000e-03 -1.1425000000e-03  3.5195000000e-03 -3.0030000000e-03  1.4843000000e-03 -3.2560000000e-03 -3.2942000000e-03 -1.1983000000e-03
-
-JOB 43
-COORDS  4.4404500000e-01  1.4368360000e+00  6.3707900000e-01 -5.0574100000e-01  1.5004660000e+00  5.3663800000e-01  7.5847900000e-01  1.1610330000e+00 -2.2390600000e-01 -3.8886500000e-01 -1.4514080000e+00 -6.3934500000e-01 -1.2825670000e+00 -1.2343010000e+00 -3.7402500000e-01  1.5176700000e-01 -1.1985370000e+00  1.0899000000e-01
-ENERGY -1.526570424351e+02
-FORCES -2.9534000000e-03  7.4990000000e-04 -6.1978000000e-03  3.4830000000e-03 -1.2123000000e-03  1.3976000000e-03 -5.0980000000e-04  7.7210000000e-04  5.4005000000e-03 -1.3328000000e-03  1.2200000000e-03  6.3183000000e-03  3.4284000000e-03  1.3750000000e-04 -1.6111000000e-03 -2.1154000000e-03 -1.6672000000e-03 -5.3076000000e-03
-
-JOB 44
-COORDS -9.6474200000e-01  6.7191600000e-01  1.1384450000e+00 -1.0703030000e+00 -1.0038500000e-01  1.6939990000e+00 -1.5194200000e-01  5.1302000000e-01  6.5850700000e-01  9.1725400000e-01 -5.9454200000e-01 -1.0725860000e+00  1.1661550000e+00 -6.7687000000e-02 -1.8319960000e+00  7.6465300000e-01 -1.4702540000e+00 -1.4276510000e+00
-ENERGY -1.526594060368e+02
-FORCES  4.9636000000e-03 -5.5625000000e-03 -2.9982000000e-03 -1.7940000000e-04  2.5121000000e-03 -1.5083000000e-03 -4.3825000000e-03  4.2992000000e-03  5.7263000000e-03 -6.8190000000e-04 -2.4120000000e-03 -5.5542000000e-03 -1.0216000000e-03 -2.5781000000e-03  3.3641000000e-03  1.3019000000e-03  3.7413000000e-03  9.7030000000e-04
-
-JOB 45
-COORDS  1.2561610000e+00  6.0039600000e-01 -8.5587600000e-01  2.1363980000e+00  2.2474200000e-01 -8.7318100000e-01  7.6127600000e-01  2.5397000000e-02 -2.7218400000e-01 -1.2146100000e+00 -5.3983700000e-01  8.0572000000e-01 -1.8355330000e+00  1.4723600000e-01  1.0478260000e+00 -1.6885600000e+00 -1.3569700000e+00  9.6031000000e-01
-ENERGY -1.526600832919e+02
-FORCES -1.5525000000e-03 -4.3774000000e-03  3.5733000000e-03 -3.3017000000e-03  9.1200000000e-04  2.2910000000e-04  7.2660000000e-03  3.5176000000e-03 -4.5704000000e-03 -6.0300000000e-03  1.0410000000e-04  1.5803000000e-03  1.9827000000e-03 -3.8966000000e-03 -4.9500000000e-04  1.6355000000e-03  3.7402000000e-03 -3.1720000000e-04
-
-JOB 46
-COORDS  5.2621800000e-01  1.4173630000e+00  4.4522700000e-01  2.7867800000e-01  2.3302370000e+00  5.9225200000e-01  1.1669560000e+00  1.2290280000e+00  1.1309510000e+00 -5.3734800000e-01 -1.4958090000e+00 -5.4068700000e-01 -9.3302100000e-01 -1.6735280000e+00  3.1259500000e-01 -2.6833800000e-01 -5.7837000000e-01 -4.9407800000e-01
-ENERGY -1.526600899288e+02
-FORCES  2.2153000000e-03  4.8506000000e-03  3.4937000000e-03  1.7251000000e-03 -3.9152000000e-03  1.2860000000e-04 -3.4086000000e-03  1.0836000000e-03 -2.8213000000e-03  3.1700000000e-05  6.2622000000e-03  3.9355000000e-03  1.3833000000e-03 -2.2730000000e-04 -2.6963000000e-03 -1.9468000000e-03 -8.0539000000e-03 -2.0402000000e-03
-
-JOB 47
-COORDS -1.4111730000e+00  7.4840300000e-01  5.9609000000e-02 -2.2347860000e+00  4.8634800000e-01  4.7097400000e-01 -1.0529510000e+00  1.4165200000e+00  6.4401300000e-01  1.4319090000e+00 -8.3047700000e-01 -1.6210200000e-01  2.2204000000e+00 -5.3107100000e-01  2.9052300000e-01  7.5026900000e-01 -2.1687900000e-01  1.1193400000e-01
-ENERGY -1.526572377285e+02
-FORCES -6.1622000000e-03  1.6724000000e-03  3.3151000000e-03  3.5363000000e-03  2.1567000000e-03 -1.7892000000e-03  7.3080000000e-04 -4.9690000000e-03 -2.7113000000e-03 -2.8254000000e-03  3.5892000000e-03  1.6008000000e-03 -3.5748000000e-03 -5.2080000000e-04 -1.3865000000e-03  8.2953000000e-03 -1.9286000000e-03  9.7100000000e-04
-
-JOB 48
-COORDS -4.4091700000e-01  1.4236740000e+00 -8.0918900000e-01 -1.1003400000e-01  5.4694000000e-01 -6.1403400000e-01 -3.9639700000e-01  1.8884850000e+00  2.6395000000e-02  4.5867000000e-01 -1.3613530000e+00  7.3500300000e-01  2.8060300000e-01 -1.6948330000e+00  1.6143860000e+00 -1.4742700000e-01 -1.8400170000e+00  1.6953100000e-01
-ENERGY -1.526585614092e+02
-FORCES  3.3978000000e-03 -3.4654000000e-03  6.5607000000e-03 -3.5436000000e-03  4.0167000000e-03 -5.0251000000e-03 -8.0600000000e-04 -3.7420000000e-04 -3.2039000000e-03 -2.6566000000e-03 -5.2539000000e-03  3.6752000000e-03  7.7300000000e-04  9.1180000000e-04 -4.0435000000e-03  2.8353000000e-03  4.1650000000e-03  2.0365000000e-03
-
-JOB 49
-COORDS  2.2489000000e-02  1.4875260000e+00 -9.1493300000e-01  8.8097000000e-02  5.6930300000e-01 -1.1772170000e+00 -5.2223800000e-01  1.4739870000e+00 -1.2796300000e-01  4.4731000000e-02 -1.4352850000e+00  8.3285000000e-01  1.3767200000e-01 -8.8989200000e-01  1.6139650000e+00 -7.4819600000e-01 -1.9476620000e+00  9.9086300000e-01
-ENERGY -1.526570227282e+02
-FORCES -1.6184000000e-03 -6.7644000000e-03  2.8216000000e-03 -3.8320000000e-04  5.7100000000e-03 -1.5019000000e-03  1.7144000000e-03  1.6141000000e-03 -1.9922000000e-03 -1.6531000000e-03 -1.5918000000e-03  5.5165000000e-03 -1.4225000000e-03 -1.8908000000e-03 -3.9169000000e-03  3.3628000000e-03  2.9229000000e-03 -9.2710000000e-04
-
-JOB 50
-COORDS  4.4450500000e-01 -7.6535000000e-02  1.6723890000e+00 -3.3599700000e-01 -3.0430400000e-01  2.1775320000e+00  5.0366600000e-01 -7.5729400000e-01  1.0020910000e+00 -4.0709300000e-01  1.8274000000e-01 -1.6316470000e+00  3.2053900000e-01 -1.8946200000e-01 -2.1298930000e+00 -1.1069540000e+00 -4.6576900000e-01 -1.7082140000e+00
-ENERGY -1.526533404543e+02
-FORCES -3.8166000000e-03 -2.3932000000e-03 -3.4824000000e-03  2.9879000000e-03  6.7090000000e-04 -1.8193000000e-03  8.2160000000e-04  5.9880000000e-04  4.4593000000e-03 -3.2860000000e-04 -2.2835000000e-03 -3.6904000000e-03 -3.1220000000e-03  1.0597000000e-03  3.1051000000e-03  3.4577000000e-03  2.3474000000e-03  1.4278000000e-03
-
-JOB 51
-COORDS -1.3497720000e+00 -1.1496530000e+00  4.6441100000e-01 -6.5884700000e-01 -5.2543300000e-01  2.4259000000e-01 -1.7721180000e+00 -7.7542400000e-01  1.2375910000e+00  1.3265950000e+00  1.0265140000e+00 -4.7082700000e-01  6.5514800000e-01  1.6354420000e+00 -7.7839400000e-01  2.1450010000e+00  1.5186000000e+00 -5.3636000000e-01
-ENERGY -1.526573136548e+02
-FORCES  3.3528000000e-03  3.7470000000e-03  2.2627000000e-03 -6.7657000000e-03 -2.6225000000e-03  8.2630000000e-04  1.2946000000e-03 -1.2342000000e-03 -3.0774000000e-03  3.7227000000e-03  5.2518000000e-03 -2.3243000000e-03  2.1500000000e-03 -3.7182000000e-03  2.4347000000e-03 -3.7543000000e-03 -1.4239000000e-03 -1.2200000000e-04
-
-JOB 52
-COORDS -1.2920950000e+00 -1.2131190000e+00  5.1563900000e-01 -1.0841540000e+00 -5.5060200000e-01 -1.4319600000e-01 -6.9382300000e-01 -1.9359250000e+00  3.2628800000e-01  1.1861410000e+00  1.1875970000e+00 -4.8478500000e-01  1.5580020000e+00  1.1156650000e+00  3.9429200000e-01  1.8102950000e+00  1.7311350000e+00 -9.6564900000e-01
-ENERGY -1.526577894743e+02
-FORCES  3.9498000000e-03  9.9520000000e-04 -4.6505000000e-03 -2.9802000000e-03 -4.3556000000e-03  3.4187000000e-03 -2.3698000000e-03  2.2407000000e-03  1.2884000000e-03  4.8197000000e-03  3.0614000000e-03  1.9175000000e-03 -1.0722000000e-03  3.8210000000e-04 -4.3110000000e-03 -2.3472000000e-03 -2.3238000000e-03  2.3369000000e-03
-
-JOB 53
-COORDS  1.2459830000e+00  1.1939250000e+00  6.5048800000e-01  6.7145900000e-01  5.0934400000e-01  3.0770000000e-01  6.7651400000e-01  1.7320790000e+00  1.2003300000e+00 -1.1920790000e+00 -1.1509280000e+00 -7.1762800000e-01 -6.0668300000e-01 -1.8889890000e+00 -5.4789600000e-01 -1.6928130000e+00 -1.0506620000e+00  9.1967000000e-02
-ENERGY -1.526569490539e+02
-FORCES -5.6211000000e-03 -7.2390000000e-04 -1.1695000000e-03  4.7277000000e-03  3.4178000000e-03  4.4027000000e-03  2.1087000000e-03 -2.2698000000e-03 -1.7029000000e-03 -2.5993000000e-03 -5.7057000000e-03  2.0546000000e-03 -2.2135000000e-03  4.6269000000e-03 -2.1090000000e-04  3.5975000000e-03  6.5460000000e-04 -3.3739000000e-03
-
-JOB 54
-COORDS  1.0878400000e+00 -9.6467400000e-01  9.5092600000e-01  1.5129050000e+00 -1.6704240000e+00  4.6361900000e-01  1.4707330000e+00 -1.0133830000e+00  1.8268560000e+00 -1.1396250000e+00  1.0540820000e+00 -9.1272800000e-01 -1.7979860000e+00  9.4640000000e-01 -1.5991670000e+00 -4.2550100000e-01  4.7164600000e-01 -1.1716260000e+00
-ENERGY -1.526546501642e+02
-FORCES  3.3060000000e-03 -2.7856000000e-03  3.8413000000e-03 -2.2735000000e-03  3.5058000000e-03  1.1378000000e-03 -1.3053000000e-03 -3.5650000000e-04 -3.7710000000e-03  1.5175000000e-03 -3.7591000000e-03 -2.2534000000e-03  2.6247000000e-03  2.9010000000e-04  2.7840000000e-03 -3.8694000000e-03  3.1054000000e-03 -1.7387000000e-03
-
-JOB 55
-COORDS -1.0363150000e+00  9.6258400000e-01  1.2489570000e+00 -9.6279100000e-01  9.3829500000e-01  2.9489400000e-01 -1.3438500000e-01  1.0513280000e+00  1.5569810000e+00  9.9457100000e-01 -9.5470200000e-01 -1.1377480000e+00  1.6400290000e+00 -9.9251000000e-01 -1.8435700000e+00  1.5427100000e-01 -1.0984530000e+00 -1.5730240000e+00
-ENERGY -1.526558748749e+02
-FORCES  6.0042000000e-03 -8.3750000000e-04 -3.1649000000e-03 -2.4364000000e-03  5.1560000000e-04  3.2834000000e-03 -4.1085000000e-03  7.5200000000e-04  8.6000000000e-06 -3.5000000000e-05 -2.6371000000e-03 -5.2729000000e-03 -2.8873000000e-03  1.8950000000e-04  3.1179000000e-03  3.4629000000e-03  2.0175000000e-03  2.0278000000e-03
-
-JOB 56
-COORDS -3.2593700000e-01 -1.7495860000e+00 -6.6230800000e-01  5.8520000000e-03 -1.0292930000e+00 -1.1983360000e+00 -2.1113200000e-01 -1.4502120000e+00  2.3959300000e-01  3.4429200000e-01  1.6488420000e+00  6.6439200000e-01  6.2344600000e-01  2.5228130000e+00  3.9148400000e-01 -6.1069700000e-01  1.6720670000e+00  6.0365800000e-01
-ENERGY -1.526569164009e+02
-FORCES  3.6223000000e-03  5.1136000000e-03  2.1409000000e-03 -2.3326000000e-03 -3.7008000000e-03  7.7210000000e-04 -2.0053000000e-03 -2.3931000000e-03 -3.4383000000e-03 -2.3606000000e-03  5.6012000000e-03 -4.6500000000e-04 -1.4770000000e-03 -3.7277000000e-03  1.0131000000e-03  4.5532000000e-03 -8.9320000000e-04 -2.2800000000e-05
-
-JOB 57
-COORDS -1.4638890000e+00  7.0376500000e-01 -8.1708800000e-01 -1.0203990000e+00  8.5200000000e-02 -1.3975410000e+00 -2.3962460000e+00  5.4718300000e-01 -9.6683100000e-01  1.4926410000e+00 -6.3093300000e-01  8.0332400000e-01  9.4145300000e-01 -4.1327000000e-01  1.5550200000e+00  2.1036080000e+00 -1.2883650000e+00  1.1360920000e+00
-ENERGY -1.526554965073e+02
-FORCES -6.3570000000e-04 -3.5436000000e-03 -3.5356000000e-03 -3.4814000000e-03  2.9112000000e-03  1.4965000000e-03  3.7825000000e-03  5.5030000000e-04  8.7570000000e-04 -4.0220000000e-04 -7.1320000000e-04  5.0658000000e-03  3.3949000000e-03 -1.8023000000e-03 -2.3761000000e-03 -2.6581000000e-03  2.5975000000e-03 -1.5263000000e-03
-
-JOB 58
-COORDS  8.1114800000e-01  1.5776450000e+00 -8.3376300000e-01  9.9324900000e-01  7.6604900000e-01 -1.3074540000e+00  1.0192300000e+00  1.3750370000e+00  7.8314000000e-02 -8.3143700000e-01 -1.5327860000e+00  7.3679800000e-01 -1.6853600000e-01 -1.1082020000e+00  1.2813370000e+00 -1.5496740000e+00 -1.7254280000e+00  1.3395050000e+00
-ENERGY -1.526536482687e+02
-FORCES  4.3020000000e-04 -5.0553000000e-03  1.1458000000e-03  3.1250000000e-04  4.0591000000e-03  1.9512000000e-03 -5.8470000000e-04  5.9960000000e-04 -2.8289000000e-03 -1.5873000000e-03  8.0390000000e-04  5.0342000000e-03 -1.7639000000e-03 -1.0948000000e-03 -2.8823000000e-03  3.1932000000e-03  6.8750000000e-04 -2.4200000000e-03
-
-JOB 59
-COORDS -1.2996450000e+00 -1.5173780000e+00 -1.0097000000e-01 -1.7455280000e+00 -7.5884500000e-01 -4.7786300000e-01 -6.0857200000e-01 -1.1426500000e+00  4.4513300000e-01  1.3164660000e+00  1.4452940000e+00  3.0857000000e-02  7.3866400000e-01  2.1646950000e+00  2.8549300000e-01  1.3346240000e+00  8.6988500000e-01  7.9558300000e-01
-ENERGY -1.526537082150e+02
-FORCES  1.8203000000e-03  5.3519000000e-03 -7.7330000000e-04  9.4080000000e-04 -3.3634000000e-03  2.0412000000e-03 -2.6753000000e-03 -1.7714000000e-03 -5.2090000000e-04 -4.8930000000e-04  2.1085000000e-03  4.2694000000e-03  2.0536000000e-03 -3.7239000000e-03 -1.2606000000e-03 -1.6501000000e-03  1.3983000000e-03 -3.7558000000e-03
-
-JOB 60
-COORDS  6.5755300000e-01  3.7781000000e-01 -1.7873180000e+00  1.2673690000e+00  4.2468000000e-02 -2.4445110000e+00  9.8619400000e-01  3.3187000000e-02 -9.5697900000e-01 -6.4204400000e-01 -3.3179900000e-01  1.7648910000e+00 -1.0994690000e+00 -1.9421600000e-01  2.5943880000e+00 -1.3325130000e+00 -5.7217000000e-01  1.1470670000e+00
-ENERGY -1.526565280993e+02
-FORCES  4.2974000000e-03 -2.3095000000e-03  1.6053000000e-03 -2.4246000000e-03  1.3186000000e-03  2.5956000000e-03 -1.2865000000e-03  1.0013000000e-03 -5.3637000000e-03 -5.4813000000e-03  1.7210000000e-04  1.4445000000e-03  1.5885000000e-03 -7.5690000000e-04 -3.3733000000e-03  3.3064000000e-03  5.7440000000e-04  3.0916000000e-03
-
-JOB 61
-COORDS  1.7424550000e+00 -5.4672000000e-01  7.9173900000e-01  9.8662700000e-01 -4.3075900000e-01  1.3675070000e+00  1.4939130000e+00 -1.2662140000e+00  2.1140600000e-01 -1.7421510000e+00  6.1899800000e-01 -7.6593600000e-01 -8.9184900000e-01  9.5299200000e-01 -1.0517090000e+00 -1.6819560000e+00 -3.2821300000e-01 -8.9003300000e-01
-ENERGY -1.526549959129e+02
-FORCES -3.6836000000e-03 -2.8181000000e-03  1.4952000000e-03  3.6869000000e-03 -8.1360000000e-04 -2.9345000000e-03  4.8010000000e-04  3.4728000000e-03  1.7156000000e-03  3.7807000000e-03 -1.6102000000e-03 -2.6952000000e-03 -4.3989000000e-03 -1.7501000000e-03  1.1865000000e-03  1.3470000000e-04  3.5192000000e-03  1.2325000000e-03
-
-JOB 62
-COORDS  1.2775660000e+00 -3.2995400000e-01  1.5869280000e+00  1.0416000000e+00 -1.2107140000e+00  1.2956990000e+00  1.7556510000e+00  4.7008000000e-02  8.4830300000e-01 -1.2571960000e+00  4.2056600000e-01 -1.5204870000e+00 -2.1790580000e+00  2.0454800000e-01 -1.3799900000e+00 -8.6780300000e-01 -3.9042300000e-01 -1.8474460000e+00
-ENERGY -1.526535717197e+02
-FORCES  7.1100000000e-05 -9.8010000000e-04 -4.9252000000e-03  1.0909000000e-03  3.0421000000e-03  1.1621000000e-03 -1.0674000000e-03 -2.1900000000e-03  3.2909000000e-03 -3.0158000000e-03 -3.7878000000e-03 -3.0920000000e-04  3.8365000000e-03  7.2910000000e-04 -9.1350000000e-04 -9.1540000000e-04  3.1867000000e-03  1.6950000000e-03
-
-JOB 63
-COORDS  1.4000990000e+00 -1.4289910000e+00  7.9279400000e-01  9.1491800000e-01 -1.5712800000e+00 -1.9970000000e-02  1.0098860000e+00 -6.4069600000e-01  1.1703620000e+00 -1.3215390000e+00  1.3424550000e+00 -7.1986300000e-01 -2.2401200000e+00  1.5251500000e+00 -9.1750800000e-01 -8.3148800000e-01  1.9518680000e+00 -1.2718580000e+00
-ENERGY -1.526565268768e+02
-FORCES -4.8228000000e-03  3.3944000000e-03 -2.0511000000e-03  2.8059000000e-03 -4.4500000000e-04  3.0160000000e-03  2.7485000000e-03 -3.5520000000e-03 -6.4560000000e-04 -2.6047000000e-03  3.9718000000e-03 -3.3469000000e-03  3.9342000000e-03 -6.3280000000e-04  6.5100000000e-04 -2.0611000000e-03 -2.7364000000e-03  2.3767000000e-03
-
-JOB 64
-COORDS -8.4782200000e-01  1.5301780000e+00  1.2950520000e+00 -1.4614950000e+00  8.6230400000e-01  1.6009650000e+00 -2.1364400000e-01  1.6173800000e+00  2.0067020000e+00  7.8944400000e-01 -1.4886010000e+00 -1.3099810000e+00  7.2486800000e-01 -1.8130150000e+00 -2.2082110000e+00  1.7243040000e+00 -1.3305060000e+00 -1.1785460000e+00
-ENERGY -1.526536082402e+02
-FORCES  1.5300000000e-04 -3.4609000000e-03  3.4340000000e-03  2.1291000000e-03  3.2548000000e-03 -6.5530000000e-04 -2.3915000000e-03 -1.1410000000e-04 -2.7880000000e-03  3.5294000000e-03  2.0790000000e-04 -3.2540000000e-03  2.1890000000e-04  1.1679000000e-03  3.7121000000e-03 -3.6389000000e-03 -1.0557000000e-03 -4.4870000000e-04
-
-JOB 65
-COORDS -2.4666400000e-01  1.2192210000e+00  1.7227890000e+00 -2.7413100000e-01  9.3222400000e-01  2.6355370000e+00 -4.6848800000e-01  2.1497340000e+00  1.7570220000e+00  2.9660500000e-01 -1.3178690000e+00 -1.7833030000e+00 -6.2782900000e-01 -1.1467190000e+00 -1.9631960000e+00  6.4635400000e-01 -4.7311300000e-01 -1.4999370000e+00
-ENERGY -1.526553501990e+02
-FORCES -9.9990000000e-04  2.2565000000e-03  4.8207000000e-03  7.9000000000e-06  1.5658000000e-03 -3.6962000000e-03  9.2080000000e-04 -3.9077000000e-03 -4.5840000000e-04 -2.5020000000e-03  4.7275000000e-03  1.9001000000e-03  3.5114000000e-03 -9.6950000000e-04  4.0900000000e-05 -9.3820000000e-04 -3.6727000000e-03 -2.6073000000e-03
-
-JOB 66
-COORDS -9.8096200000e-01  1.7171870000e+00  1.0946830000e+00 -1.4616680000e+00  1.3945190000e+00  1.8569420000e+00 -3.0949400000e-01  1.0537420000e+00  9.3593100000e-01  9.3090800000e-01 -1.6904040000e+00 -1.1782820000e+00  1.4227000000e+00 -8.6933700000e-01 -1.1931710000e+00  1.0844500000e+00 -2.0462760000e+00 -3.0306100000e-01
-ENERGY -1.526535896429e+02
-FORCES  3.5100000000e-05 -4.4105000000e-03  2.1260000000e-03  2.1553000000e-03  1.3992000000e-03 -3.0071000000e-03 -1.8312000000e-03  3.0521000000e-03  9.9160000000e-04  3.2943000000e-03  1.0725000000e-03  2.2847000000e-03 -2.5843000000e-03 -3.3245000000e-03  9.4960000000e-04 -1.0691000000e-03  2.2112000000e-03 -3.3448000000e-03
-
-JOB 67
-COORDS  1.6653500000e+00 -2.8898100000e-01 -1.3791680000e+00  1.9497170000e+00 -1.1374300000e+00 -1.7190250000e+00  2.4092190000e+00  2.5199000000e-02 -8.6518300000e-01 -1.7420250000e+00  2.7314600000e-01  1.4064590000e+00 -1.9464590000e+00  3.6927500000e-01  4.7629900000e-01 -1.3535960000e+00  1.1120190000e+00  1.6547470000e+00
-ENERGY -1.526546922303e+02
-FORCES  4.2856000000e-03 -2.7656000000e-03  1.1476000000e-03 -1.0538000000e-03  3.5751000000e-03  1.1871000000e-03 -2.9796000000e-03 -1.0160000000e-03 -2.2522000000e-03  1.6512000000e-03  3.5302000000e-03 -3.7834000000e-03 -2.0410000000e-04 -1.7810000000e-04  4.2006000000e-03 -1.6994000000e-03 -3.1456000000e-03 -4.9990000000e-04
-
-JOB 68
-COORDS -4.3332900000e-01 -7.7213100000e-01 -2.1177220000e+00 -9.5997700000e-01  1.6918000000e-02 -1.9901480000e+00  4.4651000000e-01 -5.2155300000e-01 -1.8360740000e+00  4.2259400000e-01  7.3693700000e-01  2.0356630000e+00  8.0858900000e-01 -4.9304000000e-02  2.4217530000e+00 -1.7639600000e-01  1.0645040000e+00  2.7065890000e+00
-ENERGY -1.526552758043e+02
-FORCES  1.5535000000e-03  4.8045000000e-03  2.7951000000e-03  1.6781000000e-03 -3.2377000000e-03 -1.2945000000e-03 -3.2192000000e-03 -1.5417000000e-03 -1.9334000000e-03 -1.0995000000e-03 -2.1558000000e-03  4.7928000000e-03 -1.3964000000e-03  3.4104000000e-03 -1.6042000000e-03  2.4835000000e-03 -1.2797000000e-03 -2.7558000000e-03
-
-JOB 69
-COORDS  6.1839200000e-01  1.3017060000e+00 -1.8031210000e+00  7.6856600000e-01  3.6188300000e-01 -1.7010820000e+00  7.1283400000e-01  1.4592260000e+00 -2.7425360000e+00 -6.1093100000e-01 -1.2246520000e+00  1.7966240000e+00 -1.4710440000e+00 -1.2660240000e+00  2.2146250000e+00 -5.9828000000e-02 -1.8030930000e+00  2.3238100000e+00
-ENERGY -1.526543140228e+02
-FORCES  6.8620000000e-04 -3.7773000000e-03 -2.5630000000e-03 -4.8500000000e-05  4.1502000000e-03 -1.4679000000e-03 -4.0600000000e-04 -5.5510000000e-04  3.7647000000e-03 -1.6234000000e-03 -1.9766000000e-03  4.2815000000e-03  3.5902000000e-03 -1.0910000000e-04 -1.6221000000e-03 -2.1985000000e-03  2.2680000000e-03 -2.3933000000e-03
-
-JOB 70
-COORDS -6.5814500000e-01  2.1945750000e+00  5.8894400000e-01 -2.0124100000e-01  2.2339660000e+00 -2.5124600000e-01 -1.5845530000e+00  2.2762770000e+00  3.6239400000e-01  6.5049500000e-01 -2.2290890000e+00 -5.8267300000e-01  3.3981300000e-01 -2.0500130000e+00  3.0481800000e-01  1.5556250000e+00 -1.9177240000e+00 -5.8748100000e-01
-ENERGY -1.526550507920e+02
-FORCES -2.2301000000e-03  6.1220000000e-04 -4.7651000000e-03 -1.6350000000e-03 -1.1600000000e-05  3.6713000000e-03  3.7883000000e-03 -2.3840000000e-04  1.0710000000e-03  2.3134000000e-03  2.1563000000e-03  4.1675000000e-03  1.3471000000e-03 -1.2902000000e-03 -3.8449000000e-03 -3.5837000000e-03 -1.2283000000e-03 -2.9990000000e-04
-
-JOB 71
-COORDS -2.3011100000e+00 -5.8827900000e-01  1.1613170000e+00 -2.3781140000e+00 -1.3274100000e-01  1.9996410000e+00 -2.9640350000e+00 -1.7994300000e-01  6.0452000000e-01  2.3193310000e+00  6.0376000000e-01 -1.2220760000e+00  2.1948560000e+00 -3.4255900000e-01 -1.2943150000e+00  2.6546990000e+00  7.3469000000e-01 -3.3516200000e-01
-ENERGY -1.526544350840e+02
-FORCES -3.0963000000e-03  3.8249000000e-03  8.7440000000e-04  3.9600000000e-04 -1.9378000000e-03 -3.3233000000e-03  2.5601000000e-03 -1.8010000000e-03  2.4210000000e-03  2.4050000000e-04 -3.6312000000e-03  3.6070000000e-03  9.5290000000e-04  3.8720000000e-03  2.3500000000e-05 -1.0533000000e-03 -3.2680000000e-04 -3.6025000000e-03
-
-JOB 72
-COORDS  2.1644980000e+00  1.6870160000e+00  5.1305100000e-01  1.6545750000e+00  9.6812200000e-01  8.8641600000e-01  2.7374080000e+00  1.9702680000e+00  1.2256340000e+00 -2.1732760000e+00 -1.6874790000e+00 -6.2993400000e-01 -2.6487390000e+00 -1.9079560000e+00  1.7103900000e-01 -1.5558020000e+00 -1.0066080000e+00 -3.6277600000e-01
-ENERGY -1.526535880760e+02
-FORCES  8.6030000000e-04 -1.6201000000e-03  4.5180000000e-03  1.4217000000e-03  2.8356000000e-03 -1.7139000000e-03 -2.4558000000e-03 -1.1942000000e-03 -2.9522000000e-03  3.0930000000e-04  2.0330000000e-03  4.0044000000e-03  2.1249000000e-03  9.2020000000e-04 -3.2217000000e-03 -2.2604000000e-03 -2.9744000000e-03 -6.3460000000e-04
-
-JOB 73
-COORDS -7.7100000000e-03  1.5610070000e+00 -2.3873970000e+00  9.0328400000e-01  1.8032840000e+00 -2.2211940000e+00 -3.4455600000e-01  1.2929510000e+00 -1.5324620000e+00 -5.5884000000e-02 -1.6087740000e+00  2.3055240000e+00  7.7079000000e-01 -1.6184790000e+00  2.7879630000e+00 -2.8770700000e-01 -6.8202900000e-01  2.2452480000e+00
-ENERGY -1.526536831856e+02
-FORCES  2.3481000000e-03 -5.0980000000e-04  3.9466000000e-03 -3.7626000000e-03 -8.7100000000e-04 -5.4950000000e-04  1.4023000000e-03  1.4610000000e-03 -3.2138000000e-03  2.3856000000e-03  3.3407000000e-03  2.2704000000e-03 -3.4363000000e-03  1.7080000000e-04 -2.1263000000e-03  1.0629000000e-03 -3.5917000000e-03 -3.2740000000e-04
-
-JOB 74
-COORDS -1.1575840000e+00  2.3767340000e+00  1.1696580000e+00 -1.3703510000e+00  1.9490020000e+00  1.9991200000e+00 -1.1281110000e+00  1.6631820000e+00  5.3231400000e-01  1.1717930000e+00 -2.3331000000e+00 -1.2404510000e+00  1.0304340000e+00 -1.4637560000e+00 -8.6563100000e-01  1.2355350000e+00 -2.9138760000e+00 -4.8225100000e-01
-ENERGY -1.526535908657e+02
-FORCES -1.3038000000e-03 -4.2708000000e-03  8.2130000000e-04  1.0909000000e-03  1.6158000000e-03 -3.5266000000e-03  4.2840000000e-04  2.6069000000e-03  2.7140000000e-03  2.3790000000e-04  9.6060000000e-04  4.5114000000e-03 -1.1000000000e-05 -3.4322000000e-03 -1.4145000000e-03 -4.4240000000e-04  2.5197000000e-03 -3.1056000000e-03
-
-JOB 75
-COORDS  1.1397100000e-01 -1.2472900000e-01 -2.9113120000e+00 -7.7166900000e-01  2.3835900000e-01 -2.9177070000e+00  6.8560600000e-01  6.3497100000e-01 -3.0223130000e+00 -1.2495100000e-01  8.9718000000e-02  2.8659730000e+00  7.0487800000e-01  3.1421100000e-01  3.2869450000e+00 -4.4920800000e-01 -6.6278900000e-01  3.3607680000e+00
-ENERGY -1.526539954832e+02
-FORCES -1.4001000000e-03  4.6868000000e-03  1.8310000000e-04  3.5615000000e-03 -1.5080000000e-03 -3.5120000000e-04 -2.2073000000e-03 -3.0886000000e-03  1.9370000000e-04  2.1927000000e-03 -2.4645000000e-03  3.4996000000e-03 -3.4054000000e-03 -7.8600000000e-04 -1.6410000000e-03  1.2585000000e-03  3.1602000000e-03 -1.8841000000e-03
-
-JOB 76
-COORDS  8.9037900000e-01  2.8466670000e+00 -1.6611670000e+00  1.2747540000e+00  3.6782880000e+00 -1.9384650000e+00 -1.7919000000e-02  2.8906150000e+00 -1.9599870000e+00 -8.1599300000e-01 -2.9140660000e+00  1.6529240000e+00 -1.7543010000e+00 -3.0818540000e+00  1.5654210000e+00 -7.3155800000e-01 -2.4521580000e+00  2.4870370000e+00
-ENERGY -1.526538436563e+02
-FORCES -2.1312000000e-03  3.3900000000e-03 -2.4219000000e-03 -1.5687000000e-03 -3.3762000000e-03  1.1687000000e-03  3.6780000000e-03 -6.6600000000e-05  1.2469000000e-03 -3.3119000000e-03  1.4143000000e-03  2.9983000000e-03  3.7759000000e-03  6.4980000000e-04  3.3620000000e-04 -4.4200000000e-04 -2.0113000000e-03 -3.3282000000e-03
-
-JOB 77
-COORDS -8.9730900000e-01  2.6552520000e+00  2.6159220000e+00 -1.2853360000e+00  1.9443470000e+00  3.1260990000e+00 -1.1804500000e-01  2.2673360000e+00  2.2178010000e+00  8.6850300000e-01 -2.6533650000e+00 -2.5816180000e+00  9.7254200000e-01 -2.5858200000e+00 -3.5307470000e+00  8.7317100000e-01 -1.7467640000e+00 -2.2745600000e+00
-ENERGY -1.526540800071e+02
-FORCES  1.5541000000e-03 -4.5037000000e-03  6.5400000000e-04  1.6062000000e-03  2.9362000000e-03 -2.1356000000e-03 -3.1712000000e-03  1.5879000000e-03  1.4516000000e-03  4.0130000000e-04  3.9282000000e-03 -2.8238000000e-03 -4.0560000000e-04 -2.7020000000e-04  3.9145000000e-03  1.5100000000e-05 -3.6783000000e-03 -1.0607000000e-03
-
-JOB 78
-COORDS  1.9321760000e+00  1.7753400000e-01 -3.3564550000e+00  1.3906320000e+00  3.3220100000e-01 -2.5824780000e+00  2.7630010000e+00 -1.4519100000e-01 -3.0074420000e+00 -1.9091910000e+00 -2.1961100000e-01  3.3331880000e+00 -2.7108400000e+00  2.2967400000e-01  3.6010210000e+00 -1.6858740000e+00  1.7115900000e-01  2.4884040000e+00
-ENERGY -1.526539683871e+02
-FORCES  1.3148000000e-03 -7.9830000000e-04  4.5410000000e-03  2.0776000000e-03 -5.4600000000e-04 -3.0964000000e-03 -3.4353000000e-03  1.3665000000e-03 -1.4281000000e-03 -2.5592000000e-03  3.4313000000e-03 -2.2187000000e-03  3.3266000000e-03 -1.8337000000e-03 -1.1246000000e-03 -7.2460000000e-04 -1.6198000000e-03  3.3267000000e-03
-
-JOB 79
-COORDS -1.2818510000e+00 -1.1300940000e+00  4.3932740000e+00 -5.8082600000e-01 -6.0504700000e-01  4.7794370000e+00 -1.6564020000e+00 -1.6105410000e+00  5.1315920000e+00  1.3038000000e+00  1.1185430000e+00 -4.5198320000e+00  4.0591400000e-01  7.9987400000e-01 -4.4277280000e+00  1.4771260000e+00  1.5870350000e+00 -3.7033120000e+00
-ENERGY -1.526542007722e+02
-FORCES  1.3217000000e-03  1.1570000000e-04  4.6577000000e-03 -2.8582000000e-03 -2.1077000000e-03 -1.6235000000e-03  1.5297000000e-03  1.9781000000e-03 -3.0187000000e-03 -3.0030000000e-03  5.4130000000e-04  3.7856000000e-03  3.6676000000e-03  1.3288000000e-03 -4.4090000000e-04 -6.5790000000e-04 -1.8562000000e-03 -3.3602000000e-03
-
-JOB 80
-COORDS -3.4003470000e+00  2.2172370000e+00  2.5026560000e+00 -3.6898310000e+00  2.1719810000e+00  1.5914030000e+00 -3.3875030000e+00  3.1528910000e+00  2.7041960000e+00  3.4579500000e+00 -2.2746240000e+00 -2.4083720000e+00  3.6379240000e+00 -2.5497140000e+00 -3.3073530000e+00  2.5624600000e+00 -1.9375690000e+00 -2.4352570000e+00
-ENERGY -1.526540116875e+02
-FORCES -1.1220000000e-03  3.6645000000e-03 -2.8263000000e-03  1.2002000000e-03  1.5530000000e-04  3.6787000000e-03 -6.5800000000e-05 -3.8270000000e-03 -8.4840000000e-04 -2.9424000000e-03  2.2920000000e-04 -3.7055000000e-03 -7.3260000000e-04  1.1358000000e-03  3.6554000000e-03  3.6626000000e-03 -1.3578000000e-03  4.6300000000e-05
-
-JOB 81
-COORDS -3.9388040000e+00 -1.4414400000e-01 -2.7983700000e+00 -4.4389880000e+00 -9.0145400000e-01 -2.4941840000e+00 -3.4302720000e+00  1.2988200000e-01 -2.0351290000e+00  3.9478120000e+00  1.1671600000e-01  2.7171170000e+00  4.5861080000e+00  8.2970100000e-01  2.7386280000e+00  3.1802490000e+00  4.6806900000e-01  3.1683700000e+00
-ENERGY -1.526540689442e+02
-FORCES  1.0460000000e-04 -2.0394000000e-03  4.3302000000e-03  2.0088000000e-03  3.1132000000e-03 -1.2315000000e-03 -2.1184000000e-03 -1.0659000000e-03 -3.0880000000e-03 -4.2320000000e-04  4.3614000000e-03  1.9388000000e-03 -2.6355000000e-03 -2.9133000000e-03 -7.8100000000e-05  3.0636000000e-03 -1.4560000000e-03 -1.8714000000e-03
-
-JOB 82
-COORDS  1.3074820000e+00 -4.5010460000e+00 -1.1861100000e+00  1.8555170000e+00 -4.8778400000e+00 -1.8745250000e+00  7.7760300000e-01 -3.8421960000e+00 -1.6348610000e+00 -1.2936500000e+00  4.5437840000e+00  1.2200520000e+00 -1.8267480000e+00  4.4438520000e+00  2.0087550000e+00 -1.0241000000e+00  3.6525510000e+00  9.9806500000e-01
-ENERGY -1.526541132601e+02
-FORCES  1.2020000000e-04  1.0654000000e-03 -4.6987000000e-03 -2.2511000000e-03  1.5546000000e-03  2.8190000000e-03  2.1367000000e-03 -2.6271000000e-03  1.8924000000e-03 -1.0486000000e-03 -4.0440000000e-03  2.3900000000e-03  2.1595000000e-03  4.1660000000e-04 -3.2401000000e-03 -1.1166000000e-03  3.6344000000e-03  8.3730000000e-04
-
-JOB 83
-COORDS -7.5460800000e-01  3.0276260000e+00  3.8095290000e+00 -8.9399800000e-01  2.2164170000e+00  4.2981420000e+00  1.2114100000e-01  2.9344580000e+00  3.4345420000e+00  7.2292100000e-01 -3.0045190000e+00 -3.7584220000e+00  3.0859000000e-02 -2.3994640000e+00 -4.0252350000e+00  1.2461100000e+00 -3.1345440000e+00 -4.5493690000e+00
-ENERGY -1.526541823843e+02
-FORCES  3.0223000000e-03 -3.7554000000e-03  4.4580000000e-04  5.5090000000e-04  3.3367000000e-03 -1.9663000000e-03 -3.5733000000e-03  4.2970000000e-04  1.5352000000e-03 -7.2660000000e-04  1.9229000000e-03 -4.3606000000e-03  2.8463000000e-03 -2.4689000000e-03  1.1068000000e-03 -2.1196000000e-03  5.3500000000e-04  3.2392000000e-03
-
-JOB 84
-COORDS -4.4710270000e+00  2.7156400000e+00 -2.1145550000e+00 -4.3202820000e+00  1.8959810000e+00 -2.5853710000e+00 -5.2054210000e+00  2.5255300000e+00 -1.5308130000e+00  4.5146180000e+00 -2.6684960000e+00  2.1681980000e+00  4.9134880000e+00 -1.9256220000e+00  1.7151270000e+00  4.0452320000e+00 -3.1438080000e+00  1.4826410000e+00
-ENERGY -1.526540795664e+02
-FORCES -2.4249000000e-03 -4.0989000000e-03  4.8410000000e-04 -5.8060000000e-04  3.3344000000e-03  1.9131000000e-03  3.0060000000e-03  7.6710000000e-04 -2.3959000000e-03 -2.7520000000e-04  1.1343000000e-03 -4.6417000000e-03 -1.6244000000e-03 -3.0546000000e-03  1.8449000000e-03  1.8991000000e-03  1.9178000000e-03  2.7956000000e-03
-
-JOB 85
-COORDS -2.4067090000e+00 -2.6888620000e+00 -4.8512130000e+00 -1.7625950000e+00 -3.0496200000e+00 -4.2419480000e+00 -2.0264490000e+00 -2.8357970000e+00 -5.7172640000e+00  2.3804350000e+00  2.7185250000e+00  4.9207470000e+00  2.7760180000e+00  2.6293030000e+00  4.0536920000e+00  1.4381150000e+00  2.7380190000e+00  4.7537580000e+00
-ENERGY -1.526540897769e+02
-FORCES  4.1518000000e-03 -2.1229000000e-03 -1.0914000000e-03 -2.6167000000e-03  1.5102000000e-03 -2.4598000000e-03 -1.5403000000e-03  6.1560000000e-04  3.5493000000e-03 -2.2577000000e-03 -2.5670000000e-04 -4.2138000000e-03 -1.5967000000e-03  3.4520000000e-04  3.5335000000e-03  3.8595000000e-03 -9.1500000000e-05  6.8220000000e-04
-
-JOB 86
-COORDS  3.4029770000e+00  5.1025220000e+00  2.6430800000e+00  4.3356600000e+00  5.1747610000e+00  2.8458510000e+00  2.9780440000e+00  5.0141910000e+00  3.4962270000e+00 -3.4871140000e+00 -5.0810410000e+00 -2.7309700000e+00 -2.6910960000e+00 -5.4489420000e+00 -3.1146850000e+00 -3.3211130000e+00 -5.0806920000e+00 -1.7882750000e+00
-ENERGY -1.526540665938e+02
-FORCES  2.0640000000e-03 -3.2100000000e-05  4.3049000000e-03 -3.8044000000e-03 -3.0970000000e-04 -8.2700000000e-04  1.7383000000e-03  3.4310000000e-04 -3.4802000000e-03  3.9442000000e-03 -1.4553000000e-03  2.2753000000e-03 -3.2545000000e-03  1.4785000000e-03  1.5661000000e-03 -6.8760000000e-04 -2.4500000000e-05 -3.8391000000e-03
-
-JOB 87
-COORDS -6.9892950000e+00  2.6301200000e+00  1.0081250000e+00 -6.8733440000e+00  1.7521720000e+00  1.3714350000e+00 -7.8850030000e+00  2.8712300000e+00  1.2443530000e+00  7.0326500000e+00 -2.5568350000e+00 -1.0903660000e+00  7.5612520000e+00 -2.5534640000e+00 -2.9236800000e-01  6.4902270000e+00 -3.3419590000e+00 -1.0156070000e+00
-ENERGY -1.526540478890e+02
-FORCES -3.1758000000e-03 -2.5918000000e-03  2.4354000000e-03 -4.7530000000e-04  3.5779000000e-03 -1.4763000000e-03  3.6538000000e-03 -9.8680000000e-04 -9.6000000000e-04 -6.8000000000e-05 -3.1721000000e-03  3.5587000000e-03 -2.1527000000e-03 -2.1600000000e-05 -3.2551000000e-03  2.2180000000e-03  3.1944000000e-03 -3.0270000000e-04
-
-JOB 88
-COORDS  5.5271860000e+00 -5.5667850000e+00 -1.5912400000e-01  6.2599920000e+00 -5.1123930000e+00 -5.7476200000e-01  5.1532180000e+00 -4.9209490000e+00  4.4027200000e-01 -5.5437670000e+00  5.4961020000e+00  2.0440100000e-01 -5.4473570000e+00  6.2844670000e+00 -3.2984400000e-01 -5.7404100000e+00  4.8022520000e+00 -4.2499200000e-01
-ENERGY -1.526540872422e+02
-FORCES  1.4633000000e-03  4.4895000000e-03  7.6680000000e-04 -2.9893000000e-03 -1.8545000000e-03  1.6869000000e-03  1.5272000000e-03 -2.6360000000e-03 -2.4546000000e-03 -4.3310000000e-04  3.8680000000e-04 -4.7484000000e-03 -3.8260000000e-04 -3.2169000000e-03  2.1805000000e-03  8.1450000000e-04  2.8312000000e-03  2.5688000000e-03
-
-JOB 89
-COORDS -3.5285330000e+00  7.2719420000e+00  3.3301900000e-01 -3.1514980000e+00  7.9050950000e+00 -2.7787800000e-01 -2.8652780000e+00  6.5857830000e+00  4.0724200000e-01  3.4726060000e+00 -7.2057110000e+00 -2.7082700000e-01  3.6136200000e+00 -7.3909000000e+00 -1.1992940000e+00  3.2823840000e+00 -8.0594540000e+00  1.1798100000e-01
-ENERGY -1.526540946718e+02
-FORCES  4.2542000000e-03 -2.3560000000e-04 -2.1812000000e-03 -1.5436000000e-03 -2.5734000000e-03  2.4878000000e-03 -2.7107000000e-03  2.8113000000e-03 -3.0760000000e-04 -2.0470000000e-04 -4.2524000000e-03 -2.1942000000e-03 -5.7360000000e-04  7.6460000000e-04  3.7842000000e-03  7.7830000000e-04  3.4855000000e-03 -1.5890000000e-03
-
-JOB 0
-COORDS -5.9628000000e-01  8.7439500000e-01  5.0884500000e-01 -1.0001940000e+00  4.7138200000e-01  1.2773930000e+00 -1.1618470000e+00  1.6187070000e+00  3.0301700000e-01  7.1120900000e-01 -8.9135100000e-01 -5.8182100000e-01  2.3772100000e-01 -1.7060730000e+00 -4.1368900000e-01  2.2915100000e-01 -2.2748300000e-01 -8.8739000000e-02
-ENERGY -1.526499001681e+02
-FORCES  1.2529900000e-02 -1.6985500000e-02 -1.5398900000e-02  2.4876000000e-03  5.2100000000e-04 -6.4019000000e-03  1.4647000000e-03 -4.2976000000e-03  4.2201000000e-03 -1.6088300000e-02  2.1600700000e-02  1.0067500000e-02 -5.9150000000e-04  3.9615000000e-03  1.8427000000e-03  1.9760000000e-04 -4.8002000000e-03  5.6705000000e-03
-
-JOB 1
-COORDS -1.8776800000e-01  9.4644700000e-01 -7.6946600000e-01 -1.0835320000e+00  1.0889150000e+00 -1.0753120000e+00  3.0946900000e-01  7.5388500000e-01 -1.5643930000e+00  2.2960100000e-01 -1.0104180000e+00  8.2637100000e-01  7.7177000000e-02 -3.7259400000e-01  1.2910500000e-01  6.6161000000e-02 -5.2538400000e-01  1.6352350000e+00
-ENERGY -1.526562904280e+02
-FORCES  1.7990000000e-04 -1.0278700000e-02  6.8100000000e-03  5.5938000000e-03 -1.0942000000e-03  1.2877000000e-03 -3.9812000000e-03 -1.3310000000e-03  5.8998000000e-03 -4.6247000000e-03  2.1192300000e-02 -1.2848200000e-02  3.1558000000e-03 -7.4198000000e-03  6.1390000000e-04 -3.2360000000e-04 -1.0686000000e-03 -1.7631000000e-03
-
-JOB 2
-COORDS -1.3485000000e-02 -6.0612700000e-01  1.1838240000e+00 -1.9553500000e-01 -9.5640000000e-02  3.9484200000e-01  9.1297400000e-01 -4.4688900000e-01  1.3642370000e+00 -8.4042000000e-02  5.7923900000e-01 -1.1097010000e+00  7.3789200000e-01  1.0697710000e+00 -1.1154890000e+00  3.9649000000e-02 -1.0409000000e-01 -1.7684830000e+00
-ENERGY -1.526558316388e+02
-FORCES  4.3570000000e-04  1.1612000000e-02 -2.0545100000e-02  1.0755000000e-03 -3.7332000000e-03  7.5782000000e-03 -1.9354000000e-03  4.0070000000e-04 -1.8096000000e-03  3.8111000000e-03 -8.2307000000e-03  9.4994000000e-03 -3.8186000000e-03 -4.3704000000e-03  1.4480000000e-03  4.3170000000e-04  4.3216000000e-03  3.8290000000e-03
-
-JOB 3
-COORDS -4.3124500000e-01  1.1895510000e+00  4.4326600000e-01 -6.1992000000e-02  3.4984300000e-01  1.6981600000e-01 -8.8555200000e-01  1.5162410000e+00 -3.3333600000e-01  3.8847900000e-01 -1.1454390000e+00 -4.2095900000e-01  3.4510900000e-01 -1.6592680000e+00  3.8547100000e-01  1.3233250000e+00 -9.9173400000e-01 -5.5760300000e-01
-ENERGY -1.526578609024e+02
-FORCES  4.3210000000e-03 -1.8970300000e-02 -1.0097600000e-02  9.3590000000e-04  7.5884000000e-03  6.1999000000e-03  1.6504000000e-03 -1.0461000000e-03  1.5452000000e-03 -1.0467000000e-03  5.4613000000e-03  4.1754000000e-03  7.2670000000e-04  5.6028000000e-03 -4.1988000000e-03 -6.5874000000e-03  1.3640000000e-03  2.3758000000e-03
-
-JOB 4
-COORDS -1.6819600000e-01  1.0147330000e+00  8.4810200000e-01  4.7470300000e-01  1.1867040000e+00  1.5360980000e+00  2.4416500000e-01  3.5148700000e-01  2.9466300000e-01  1.1900400000e-01 -9.2870400000e-01 -8.1984600000e-01  1.2682200000e-01 -1.8249060000e+00 -4.8370400000e-01 -1.0062300000e-01 -1.0219850000e+00 -1.7468270000e+00
-ENERGY -1.526573032418e+02
-FORCES  2.0108000000e-03 -1.1384800000e-02 -1.1296600000e-02 -1.0682000000e-03 -3.3117000000e-03 -3.2837000000e-03  1.4603000000e-03  4.5124000000e-03  6.6407000000e-03 -3.5474000000e-03  7.9015000000e-03  5.8841000000e-03  3.7320000000e-04  4.2190000000e-03 -2.5435000000e-03  7.7140000000e-04 -1.9364000000e-03  4.5990000000e-03
-
-JOB 5
-COORDS -1.3083620000e+00 -3.0650900000e-01 -4.3210700000e-01 -3.7393900000e-01 -4.1213500000e-01 -6.1079400000e-01 -1.3437520000e+00  6.1764000000e-02  4.5070300000e-01  1.2169600000e+00  2.5673800000e-01  4.3066400000e-01  1.7629960000e+00 -7.0987000000e-02 -2.8395000000e-01  1.3135610000e+00  1.2081650000e+00  3.8960200000e-01
-ENERGY -1.526548467532e+02
-FORCES  1.4673000000e-02  3.7685000000e-03  9.3666000000e-03 -5.9680000000e-04 -2.9176000000e-03 -6.6885000000e-03 -3.6741000000e-03  3.6520000000e-04 -1.8184000000e-03 -2.7395000000e-03  2.8537000000e-03 -3.2777000000e-03 -6.7781000000e-03  9.6220000000e-04  1.9849000000e-03 -8.8450000000e-04 -5.0321000000e-03  4.3310000000e-04
-
-JOB 6
-COORDS -2.6665000000e-02  1.1450690000e+00  5.7038200000e-01  6.8980500000e-01  1.4501540000e+00  1.1270020000e+00 -7.7221500000e-01  1.6921870000e+00  8.1746200000e-01  1.8762000000e-02 -1.2508560000e+00 -6.6448100000e-01  5.9267900000e-01 -1.2668860000e+00  1.0141300000e-01 -3.5585700000e-01 -3.7000800000e-01 -6.6525900000e-01
-ENERGY -1.526563693126e+02
-FORCES  1.6268000000e-03 -3.2633000000e-03 -8.9800000000e-05 -4.0060000000e-03 -1.8568000000e-03 -1.7370000000e-03  3.7206000000e-03 -3.1890000000e-03 -1.8783000000e-03  1.3173000000e-03  1.3971100000e-02  9.6386000000e-03  9.0580000000e-04 -2.8178000000e-03 -1.5872000000e-03 -3.5644000000e-03 -2.8442000000e-03 -4.3463000000e-03
-
-JOB 7
-COORDS  2.4357600000e-01  4.4322100000e-01  1.2566610000e+00 -2.3467000000e-02 -1.9425500000e-01  1.9188880000e+00  1.1327690000e+00  1.8216400000e-01  1.0170440000e+00 -2.8749300000e-01 -3.5532000000e-01 -1.3360630000e+00 -1.2895200000e-01 -3.9535000000e-02 -4.4646900000e-01 -2.9104400000e-01 -1.3090830000e+00 -1.2550910000e+00
-ENERGY -1.526579728556e+02
-FORCES  9.4030000000e-04 -3.6035000000e-03  8.0270000000e-04  2.1647000000e-03  2.6440000000e-03 -4.3026000000e-03 -8.1799000000e-03 -4.4230000000e-04 -2.3500000000e-03 -3.9400000000e-04  2.4422000000e-03  1.3941300000e-02  4.7350000000e-03 -4.0792000000e-03 -9.1071000000e-03  7.3390000000e-04  3.0388000000e-03  1.0157000000e-03
-
-JOB 8
-COORDS  1.0612610000e+00 -7.8556200000e-01 -8.7360000000e-02  1.9021120000e+00 -3.4312500000e-01  2.8621000000e-02  1.1318410000e+00 -1.5783090000e+00  4.4443200000e-01 -1.1177790000e+00  8.6132600000e-01  2.3683000000e-02 -1.7708770000e+00  4.3852400000e-01  5.8129600000e-01 -4.0136800000e-01  2.2869400000e-01 -2.8877000000e-02
-ENERGY -1.526604618779e+02
-FORCES -8.2490000000e-04  2.9261000000e-03  2.6963000000e-03 -3.9338000000e-03 -3.5111000000e-03 -4.7900000000e-05  6.4700000000e-05  4.3798000000e-03 -2.2115000000e-03  1.0120100000e-02 -1.0061600000e-02  3.9560000000e-04  2.6499000000e-03  1.3850000000e-04 -1.3445000000e-03 -8.0761000000e-03  6.1283000000e-03  5.1200000000e-04
-
-JOB 9
-COORDS -6.2168000000e-01 -8.2697000000e-01 -9.7080500000e-01 -1.2326530000e+00 -3.4933100000e-01 -1.5318800000e+00 -9.0609000000e-02 -1.4517700000e-01 -5.5928000000e-01  6.4995700000e-01  7.2769700000e-01  9.2377200000e-01  3.0379200000e-01  3.8392500000e-01  1.7473150000e+00  5.8731500000e-01  1.6784420000e+00  1.0153740000e+00
-ENERGY -1.526604263604e+02
-FORCES  5.0643000000e-03  8.6531000000e-03  6.7135000000e-03  2.3019000000e-03 -2.5560000000e-04  2.5102000000e-03 -4.7753000000e-03 -5.0993000000e-03 -7.6993000000e-03 -4.1561000000e-03 -1.8928000000e-03  2.4066000000e-03  2.2641000000e-03  3.4245000000e-03 -3.3449000000e-03 -6.9890000000e-04 -4.8298000000e-03 -5.8610000000e-04
-
-JOB 10
-COORDS  2.8902400000e-01  1.0496380000e+00  8.2062400000e-01  1.0806110000e+00  7.0300000000e-01  4.0896300000e-01  5.8349200000e-01  1.3741360000e+00  1.6716360000e+00 -4.0745900000e-01 -1.0870290000e+00 -8.4215600000e-01 -1.9987100000e-01 -2.2124700000e-01 -4.9064400000e-01  3.7083300000e-01 -1.3367180000e+00 -1.3403010000e+00
-ENERGY -1.526530264155e+02
-FORCES  1.7600000000e-03 -3.4034000000e-03  3.2394000000e-03 -8.3704000000e-03 -1.2912000000e-03 -2.6219000000e-03  6.3000000000e-05 -1.3198000000e-03 -4.3083000000e-03  5.5460000000e-04  6.1065000000e-03  4.1855000000e-03  7.5880000000e-03 -2.7558000000e-03 -4.1580000000e-03 -1.5952000000e-03  2.6637000000e-03  3.6634000000e-03
-
-JOB 11
-COORDS  9.3718500000e-01 -3.1499300000e-01 -8.9703500000e-01  1.8768050000e+00 -2.1243800000e-01 -1.0481290000e+00  6.2111200000e-01 -7.9070900000e-01 -1.6651640000e+00 -9.7475100000e-01  3.8238300000e-01  1.0028900000e+00 -2.9122700000e-01  1.7440000000e-01  3.6588900000e-01 -1.7072560000e+00 -1.8508500000e-01  7.6278900000e-01
-ENERGY -1.526602709229e+02
-FORCES -8.9300000000e-05  6.4690000000e-04  7.5080000000e-04 -4.5001000000e-03 -1.4904000000e-03 -1.1250000000e-03  2.0019000000e-03  2.1080000000e-03  3.7469000000e-03  7.3850000000e-03 -4.3722000000e-03 -8.5088000000e-03 -7.1718000000e-03  1.7371000000e-03  5.3753000000e-03  2.3743000000e-03  1.3707000000e-03 -2.3920000000e-04
-
-JOB 12
-COORDS  8.1277400000e-01  7.8499900000e-01 -9.0623600000e-01  4.5150800000e-01  2.7997300000e-01 -1.7776700000e-01  3.8602100000e-01  1.6393120000e+00 -8.4094500000e-01 -7.9773300000e-01 -7.6615700000e-01  8.1886500000e-01 -4.2552100000e-01 -5.2333200000e-01  1.6666420000e+00 -6.3209400000e-01 -1.7059690000e+00  7.4436600000e-01
-ENERGY -1.526590691976e+02
-FORCES -9.9632000000e-03 -4.8704000000e-03  6.7568000000e-03  8.3748000000e-03  5.6412000000e-03 -1.9324000000e-03  1.5117000000e-03 -2.4603000000e-03  4.5730000000e-04  1.8000000000e-04 -4.0185000000e-03  6.9790000000e-04  2.3310000000e-04  3.7590000000e-04 -7.0985000000e-03 -3.3640000000e-04  5.3321000000e-03  1.1189000000e-03
-
-JOB 13
-COORDS  1.0515080000e+00 -7.3595600000e-01 -7.2235400000e-01  3.8167000000e-01 -7.2898700000e-01 -3.8614000000e-02  1.3559570000e+00  1.7032200000e-01 -7.6930100000e-01 -9.6898400000e-01  6.6181300000e-01  7.1357200000e-01 -1.7818120000e+00  1.6195500000e-01  6.3817300000e-01 -1.1732890000e+00  1.5122580000e+00  3.2468400000e-01
-ENERGY -1.526575775443e+02
-FORCES -7.3422000000e-03  9.5636000000e-03  7.1976000000e-03  2.1926000000e-03 -6.6511000000e-03 -2.3643000000e-03  9.2260000000e-04 -2.2009000000e-03 -1.7743000000e-03 -1.6498000000e-03  1.5975000000e-03 -5.0662000000e-03  5.1297000000e-03  1.4204000000e-03 -5.2800000000e-05  7.4720000000e-04 -3.7295000000e-03  2.0599000000e-03
-
-JOB 14
-COORDS  1.3162590000e+00 -5.5675900000e-01  3.2729000000e-01  1.5734860000e+00  2.1442400000e-01  8.3260500000e-01  5.2979200000e-01 -2.8303600000e-01 -1.4470400000e-01 -1.2178680000e+00  4.7935100000e-01 -3.4559500000e-01 -1.6224310000e+00  1.3367730000e+00 -4.7745800000e-01 -1.9028650000e+00 -4.8702000000e-02  6.4493000000e-02
-ENERGY -1.526604037573e+02
-FORCES -9.6524000000e-03  7.8206000000e-03 -1.6458000000e-03  2.1350000000e-04 -2.1779000000e-03 -1.0430000000e-03  6.4425000000e-03 -5.0482000000e-03  1.2701000000e-03 -5.8470000000e-04  1.5840000000e-04  2.1336000000e-03  8.0140000000e-04 -4.2113000000e-03  1.6345000000e-03  2.7796000000e-03  3.4584000000e-03 -2.3494000000e-03
-
-JOB 15
-COORDS  1.2248690000e+00  5.7930200000e-01  5.1380100000e-01  5.4506400000e-01  2.2557800000e-01 -5.9763000000e-02  1.9592760000e+00 -2.7052000000e-02  4.1781200000e-01 -1.2242840000e+00 -4.7059300000e-01 -5.2483500000e-01 -1.3893300000e+00 -4.0271200000e-01  4.1558100000e-01 -1.1003760000e+00 -1.4070090000e+00 -6.7976700000e-01
-ENERGY -1.526602032647e+02
-FORCES -5.9974000000e-03 -4.4383000000e-03 -6.9665000000e-03  7.7953000000e-03  2.0200000000e-03  7.3476000000e-03 -3.4658000000e-03  1.0608000000e-03 -8.0700000000e-05 -2.4799000000e-03 -3.4589000000e-03  4.5359000000e-03  3.0609000000e-03 -3.6170000000e-04 -6.0809000000e-03  1.0869000000e-03  5.1781000000e-03  1.2446000000e-03
-
-JOB 16
-COORDS -6.9669600000e-01 -1.2852400000e+00 -1.0796800000e-01 -8.5093000000e-02 -5.5004400000e-01 -1.4871200000e-01 -3.5618500000e-01 -1.8421650000e+00  5.9211700000e-01  6.9353500000e-01  1.2434930000e+00  4.0297000000e-02  6.2707400000e-01  1.6284540000e+00  9.1415000000e-01 -1.8495800000e-01  1.3334330000e+00 -3.2901600000e-01
-ENERGY -1.526588375070e+02
-FORCES  8.9448000000e-03  5.0942000000e-03  3.3670000000e-03 -9.1874000000e-03 -2.6430000000e-03 -3.0680000000e-03 -1.2815000000e-03  1.8839000000e-03 -1.9206000000e-03 -4.5349000000e-03  3.5651000000e-03  3.6062000000e-03  3.4430000000e-04 -1.8204000000e-03 -4.4017000000e-03  5.7146000000e-03 -6.0798000000e-03  2.4171000000e-03
-
-JOB 17
-COORDS -1.2843690000e+00 -4.0641600000e-01 -3.2449300000e-01 -1.1968880000e+00 -1.1616730000e+00  2.5702700000e-01 -2.0414120000e+00 -6.1221300000e-01 -8.7291500000e-01  1.3484460000e+00  5.1050300000e-01  2.6862600000e-01  1.7469460000e+00  3.1381200000e-01  1.1164130000e+00  5.4702100000e-01 -1.2666000000e-02  2.5299700000e-01
-ENERGY -1.526555197213e+02
-FORCES -2.6830000000e-03 -1.5106000000e-03 -2.7488000000e-03  3.8575000000e-03  5.8327000000e-03 -2.4286000000e-03  2.6881000000e-03  1.6870000000e-04  3.5134000000e-03 -6.7754000000e-03 -1.5154000000e-03 -7.5720000000e-04 -2.9308000000e-03 -3.5920000000e-04 -3.0566000000e-03  5.8435000000e-03 -2.6161000000e-03  5.4779000000e-03
-
-JOB 18
-COORDS -6.5993900000e-01 -1.2747470000e+00 -4.1042900000e-01 -2.3621300000e-01 -1.1786300000e+00 -1.2633360000e+00 -6.2540400000e-01 -3.9914000000e-01 -2.5264000000e-02  6.2651200000e-01  1.1610300000e+00  3.9585600000e-01  9.6337700000e-01  2.0208890000e+00  1.4406800000e-01  4.0407800000e-01  1.2523230000e+00  1.3223660000e+00
-ENERGY -1.526582937932e+02
-FORCES  6.9281000000e-03  1.0061400000e-02 -1.2573000000e-03 -2.0115000000e-03 -1.8355000000e-03  1.3596000000e-03 -4.6731000000e-03 -5.4324000000e-03  2.2693000000e-03  1.2395000000e-03  2.3168000000e-03  1.4679000000e-03 -9.5600000000e-04 -4.1576000000e-03  1.8135000000e-03 -5.2700000000e-04 -9.5270000000e-04 -5.6531000000e-03
-
-JOB 19
-COORDS  5.2585700000e-01  9.2429300000e-01 -8.8569200000e-01 -8.7399000000e-02  1.3476020000e+00 -1.4864900000e+00  1.3799840000e+00  1.0214740000e+00 -1.3067080000e+00 -5.1759200000e-01 -1.0098860000e+00  9.5326200000e-01 -1.0390940000e+00 -5.1763700000e-01  1.5872640000e+00 -4.5908800000e-01 -4.3334000000e-01  1.9141900000e-01
-ENERGY -1.526591535677e+02
-FORCES  4.2034000000e-03  1.0760000000e-04 -1.9776000000e-03  2.2509000000e-03 -3.2015000000e-03  3.8275000000e-03 -4.5086000000e-03  1.1303000000e-03  8.8350000000e-04  3.1287000000e-03  8.4575000000e-03 -4.5233000000e-03  1.3725000000e-03 -1.2746000000e-03 -2.3870000000e-03 -6.4470000000e-03 -5.2193000000e-03  4.1769000000e-03
-
-JOB 20
-COORDS  1.2591130000e+00 -3.6250200000e-01  7.1072500000e-01  4.3281600000e-01 -9.8206000000e-02  3.0623400000e-01  1.0411860000e+00 -5.0276600000e-01  1.6321730000e+00 -1.1944000000e+00  3.1406800000e-01 -6.8336700000e-01 -1.4405740000e+00  1.2390380000e+00 -6.7552500000e-01 -1.1214070000e+00  9.3018000000e-02 -1.6118280000e+00
-ENERGY -1.526621393216e+02
-FORCES -1.0015100000e-02  1.5552000000e-03 -2.3066000000e-03  9.6315000000e-03 -1.8957000000e-03  5.0257000000e-03  2.1320000000e-04  9.1370000000e-04 -2.8160000000e-03 -6.6770000000e-04  2.1870000000e-03 -4.3264000000e-03  1.4359000000e-03 -4.7604000000e-03 -2.5990000000e-04 -5.9780000000e-04  2.0001000000e-03  4.6833000000e-03
-
-JOB 21
-COORDS  3.9734300000e-01  7.7869700000e-01  1.1203480000e+00  5.2906700000e-01  1.2732510000e+00  3.1146100000e-01  4.8194600000e-01  1.4302300000e+00  1.8164640000e+00 -4.0373900000e-01 -8.7776300000e-01 -1.1801990000e+00 -8.6845200000e-01 -8.4826000000e-02 -9.1275900000e-01 -4.0864000000e-02 -1.2290420000e+00 -3.6708300000e-01
-ENERGY -1.526575900580e+02
-FORCES  2.3547000000e-03  4.2326000000e-03 -5.1910000000e-04 -3.2210000000e-03 -2.2959000000e-03  3.8708000000e-03 -3.5200000000e-04 -2.5613000000e-03 -3.8167000000e-03 -5.1810000000e-04  1.7549000000e-03  9.3389000000e-03  2.7369000000e-03 -1.3340000000e-04 -3.4808000000e-03 -1.0004000000e-03 -9.9690000000e-04 -5.3930000000e-03
-
-JOB 22
-COORDS -1.6900700000e-01 -6.3498300000e-01 -1.2761260000e+00 -3.9645800000e-01 -1.4482890000e+00 -1.7267150000e+00 -9.9599200000e-01 -3.2640000000e-01 -9.0585000000e-01  1.7804400000e-01  7.0019800000e-01  1.2853460000e+00  7.7856900000e-01  5.7109500000e-01  5.5122500000e-01  5.1093900000e-01  1.2253300000e-01  1.9721620000e+00
-ENERGY -1.526590620870e+02
-FORCES -5.0711000000e-03 -7.9300000000e-04  2.1727000000e-03  2.2690000000e-04  3.0916000000e-03  2.6231000000e-03  3.4286000000e-03 -2.1964000000e-03 -4.4155000000e-03  4.7057000000e-03 -5.4856000000e-03 -3.5946000000e-03 -2.0534000000e-03  3.2669000000e-03  5.4579000000e-03 -1.2367000000e-03  2.1165000000e-03 -2.2437000000e-03
-
-JOB 23
-COORDS -1.8216200000e-01 -1.4229780000e+00  1.5574100000e-01  2.5483300000e-01 -1.6142040000e+00  9.8562100000e-01 -1.1086050000e+00 -1.3472710000e+00  3.8422200000e-01  1.6980000000e-01  1.4604360000e+00 -2.5583300000e-01  2.8318600000e-01  5.1822600000e-01 -1.3087500000e-01  7.5934900000e-01  1.8600040000e+00  3.8370600000e-01
-ENERGY -1.526605526935e+02
-FORCES -4.5631000000e-03 -2.3603000000e-03  3.9339000000e-03 -1.7861000000e-03  3.0768000000e-03 -4.2956000000e-03  5.4895000000e-03 -4.0490000000e-04 -6.4020000000e-04  1.6934000000e-03 -8.7974000000e-03  1.6867000000e-03  1.1635000000e-03  1.1068100000e-02  7.9480000000e-04 -1.9971000000e-03 -2.5824000000e-03 -1.4797000000e-03
-
-JOB 24
-COORDS -7.1079800000e-01  1.1475630000e+00  4.5183700000e-01 -5.6065100000e-01  1.9447070000e+00 -5.6345000000e-02 -3.6741100000e-01  1.3495630000e+00  1.3221890000e+00  6.7346700000e-01 -1.2662860000e+00 -4.6609700000e-01  1.3216690000e+00 -8.0653200000e-01 -9.9966400000e-01  2.3383300000e-01 -5.7369300000e-01  2.7124000000e-02
-ENERGY -1.526597611564e+02
-FORCES  6.5280000000e-04  5.0155000000e-03 -5.4500000000e-04 -2.7080000000e-04 -3.5355000000e-03  3.2114000000e-03 -5.0550000000e-04 -2.3464000000e-03 -5.3868000000e-03 -3.8249000000e-03  1.0395400000e-02  1.0578000000e-03 -1.5774000000e-03 -1.4409000000e-03  1.3637000000e-03  5.5257000000e-03 -8.0881000000e-03  2.9900000000e-04
-
-JOB 25
-COORDS -1.4732070000e+00  3.2833900000e-01  2.1242700000e-01 -1.3872830000e+00  9.2129600000e-01 -5.3406600000e-01 -6.2480600000e-01 -1.1131400000e-01  2.6858100000e-01  1.3720370000e+00 -2.9773700000e-01 -1.9817800000e-01  1.5384180000e+00 -1.2197970000e+00 -3.9402300000e-01  2.0596090000e+00 -5.6361000000e-02  4.2247800000e-01
-ENERGY -1.526608409190e+02
-FORCES  1.0758700000e-02  2.0230000000e-04 -3.8768000000e-03 -1.8159000000e-03 -1.1846000000e-03  2.1127000000e-03 -8.7084000000e-03 -7.6830000000e-04  1.9144000000e-03  4.5126000000e-03 -1.1200000000e-03  1.3489000000e-03 -1.6868000000e-03  4.7684000000e-03  1.8333000000e-03 -3.0602000000e-03 -1.8979000000e-03 -3.3324000000e-03
-
-JOB 26
-COORDS -1.3727560000e+00 -4.2030000000e-03 -3.1734100000e-01 -1.7752640000e+00 -6.1165300000e-01 -9.3800400000e-01 -1.9392830000e+00  7.6714400000e-01 -3.3475300000e-01  1.4812970000e+00  3.6970000000e-02  3.5046800000e-01  1.3219360000e+00 -6.4219800000e-01  1.0058810000e+00  7.3459100000e-01 -2.4480000000e-02 -2.4525600000e-01
-ENERGY -1.526597505220e+02
-FORCES -4.0823000000e-03  2.7011000000e-03 -5.6850000000e-04  2.8616000000e-03  3.0221000000e-03  2.9778000000e-03  1.7308000000e-03 -4.4016000000e-03 -5.0750000000e-04 -1.0705000000e-02 -2.1662000000e-03 -8.3700000000e-05  1.8121000000e-03  1.6298000000e-03 -1.6541000000e-03  8.3828000000e-03 -7.8520000000e-04 -1.6400000000e-04
-
-JOB 27
-COORDS -6.7415900000e-01  1.0824480000e+00  7.5335800000e-01 -3.9907000000e-01  1.8954000000e-01  9.6138100000e-01 -2.4591200000e-01  1.6257710000e+00  1.4148990000e+00  6.3506700000e-01 -1.0052540000e+00 -7.6549500000e-01  1.3141380000e+00 -1.3079590000e+00 -1.3683750000e+00 -4.8661000000e-02 -1.6729730000e+00 -8.1934100000e-01
-ENERGY -1.526543915543e+02
-FORCES  6.3739000000e-03 -4.5028000000e-03 -2.7670000000e-04 -4.9867000000e-03  2.9760000000e-03  2.5715000000e-03 -1.2294000000e-03 -1.9173000000e-03 -2.7253000000e-03 -4.9900000000e-05 -1.4370000000e-03 -4.1673000000e-03 -3.2190000000e-03  1.3510000000e-03  2.3512000000e-03  3.1111000000e-03  3.5301000000e-03  2.2466000000e-03
-
-JOB 28
-COORDS -9.3351900000e-01  7.1417000000e-01 -9.6825600000e-01 -3.4579300000e-01  5.7023500000e-01 -1.7099390000e+00 -7.6391400000e-01 -2.2569000000e-02 -3.8116000000e-01  9.0491800000e-01 -7.1071900000e-01  9.5235600000e-01  1.3957150000e+00  1.1065100000e-01  9.7883200000e-01  9.5036000000e-02 -5.2173700000e-01  1.4262840000e+00
-ENERGY -1.526563946018e+02
-FORCES  7.3236000000e-03 -7.0844000000e-03  2.1520000000e-04 -2.4511000000e-03  1.8535000000e-03  1.9431000000e-03 -5.1403000000e-03  4.0302000000e-03  1.5879000000e-03  4.9710000000e-04  6.9769000000e-03  2.9513000000e-03 -1.6546000000e-03 -4.6066000000e-03 -1.0000000000e-07  1.4253000000e-03 -1.1696000000e-03 -6.6974000000e-03
-
-JOB 29
-COORDS  6.9000000000e-02 -1.0373140000e+00  1.1526570000e+00  1.1727200000e-01 -1.3077420000e+00  2.3572200000e-01  4.2289700000e-01 -1.4796500000e-01  1.1595220000e+00 -8.0057000000e-02  9.4307200000e-01 -1.1228830000e+00  4.9995400000e-01  1.6942740000e+00 -9.9832700000e-01 -9.0778300000e-01  1.2100880000e+00 -7.2312900000e-01
-ENERGY -1.526574097797e+02
-FORCES  2.2984000000e-03  5.3906000000e-03 -9.0899000000e-03 -8.1340000000e-04 -2.5675000000e-03  4.6206000000e-03 -1.0618000000e-03 -1.6541000000e-03  3.6342000000e-03 -2.6797000000e-03  3.9217000000e-03  1.1621000000e-03 -2.4952000000e-03 -4.1545000000e-03  1.1621000000e-03  4.7518000000e-03 -9.3620000000e-04 -1.4891000000e-03
-
-JOB 30
-COORDS  1.1383140000e+00  9.2153100000e-01  1.2081900000e-01  1.8961970000e+00  6.9314700000e-01 -4.1740600000e-01  7.1220200000e-01  1.6345010000e+00 -3.5492800000e-01 -1.2030960000e+00 -9.1713300000e-01 -1.0557000000e-01 -2.4778200000e-01 -9.2746600000e-01 -1.6473800000e-01 -1.4010520000e+00 -1.4392600000e+00  6.7188000000e-01
-ENERGY -1.526575295124e+02
-FORCES -1.2459000000e-03  5.3056000000e-03 -3.2732000000e-03 -4.8261000000e-03 -9.8070000000e-04  2.2439000000e-03  3.5733000000e-03 -2.7919000000e-03  1.9057000000e-03  6.8578000000e-03  1.9496000000e-03  4.1080000000e-03 -5.2506000000e-03 -5.2747000000e-03 -2.2479000000e-03  8.9150000000e-04  1.7920000000e-03 -2.7364000000e-03
-
-JOB 31
-COORDS -1.3625770000e+00 -2.1176900000e-01  5.2365200000e-01 -1.9964280000e+00  4.8793500000e-01  6.8138000000e-01 -1.5806380000e+00 -5.4106200000e-01 -3.4827000000e-01  1.4417970000e+00  2.3486300000e-01 -5.0521400000e-01  5.1059800000e-01  3.0354000000e-02 -5.9051200000e-01  1.8013810000e+00 -4.9155500000e-01  3.9500000000e-03
-ENERGY -1.526560623216e+02
-FORCES -4.8500000000e-03  3.0982000000e-03 -1.2690000000e-04  2.4372000000e-03 -3.9225000000e-03 -9.7170000000e-04  5.6744000000e-03  2.9112000000e-03  3.4122000000e-03 -6.7116000000e-03 -3.3655000000e-03  6.4830000000e-03  3.6747000000e-03 -1.0342000000e-03 -6.3109000000e-03 -2.2460000000e-04  2.3128000000e-03 -2.4858000000e-03
-
-JOB 32
-COORDS -6.2697000000e-02 -1.4157600000e-01  1.5448050000e+00  3.3057200000e-01  6.8320700000e-01  1.8299410000e+00  4.9528000000e-02 -1.4497400000e-01  5.9421300000e-01  6.9306000000e-02  5.1674000000e-02 -1.4737820000e+00  2.4087900000e-01  9.8241400000e-01 -1.6170190000e+00 -7.5607200000e-01 -1.1314200000e-01 -1.9296540000e+00
-ENERGY -1.526607883248e+02
-FORCES  2.1134000000e-03  1.9791000000e-03 -8.2063000000e-03 -1.3368000000e-03 -2.2258000000e-03 -1.5444000000e-03 -3.9930000000e-04  7.1880000000e-04  1.0619200000e-02 -3.6442000000e-03  2.6062000000e-03 -4.6744000000e-03 -1.0402000000e-03 -4.5498000000e-03  2.0016000000e-03  4.3070000000e-03  1.4715000000e-03  1.8044000000e-03
-
-JOB 33
-COORDS  3.0291200000e-01  1.4684490000e+00  1.0264300000e-01  8.4231200000e-01  1.3304760000e+00  8.8125900000e-01 -5.7393400000e-01  1.6408990000e+00  4.4562100000e-01 -2.3435800000e-01 -1.4908720000e+00 -1.2475600000e-01 -9.2893500000e-01 -1.9896510000e+00 -5.5488900000e-01 -3.1102600000e-01 -6.0914900000e-01 -4.8933400000e-01
-ENERGY -1.526595328519e+02
-FORCES  8.9160000000e-04  7.8580000000e-04  7.3224000000e-03 -2.7389000000e-03  1.8924000000e-03 -3.5841000000e-03  3.5635000000e-03 -2.3583000000e-03 -2.8874000000e-03 -9.2800000000e-05  5.0501000000e-03 -3.2069000000e-03  2.1312000000e-03  3.1957000000e-03  1.5265000000e-03 -3.7547000000e-03 -8.5656000000e-03  8.2950000000e-04
-
-JOB 34
-COORDS  7.8715700000e-01  1.2612450000e+00  3.1406800000e-01  1.6066990000e+00  1.4599810000e+00 -1.3879900000e-01  9.7819800000e-01  4.7185400000e-01  8.2062200000e-01 -8.9734800000e-01 -1.2564750000e+00 -3.5174800000e-01 -4.2951900000e-01 -1.5417800000e+00  4.3308900000e-01 -5.1838600000e-01 -4.0248600000e-01 -5.5989000000e-01
-ENERGY -1.526562884673e+02
-FORCES  6.0406000000e-03 -7.0600000000e-05  1.9789000000e-03 -4.2558000000e-03 -1.4936000000e-03  2.1573000000e-03 -3.0799000000e-03  1.4327000000e-03 -4.3329000000e-03  3.3768000000e-03  5.9584000000e-03  1.9921000000e-03 -2.2280000000e-04  2.0277000000e-03 -2.3879000000e-03 -1.8588000000e-03 -7.8546000000e-03  5.9250000000e-04
-
-JOB 35
-COORDS -5.4148200000e-01 -1.6714900000e-01  1.4033530000e+00 -4.0793300000e-01  7.7958700000e-01  1.3576630000e+00 -1.4922230000e+00 -2.7657600000e-01  1.3846720000e+00  6.3869700000e-01  1.4793400000e-01 -1.4389930000e+00  4.4252400000e-01 -7.5643500000e-01 -1.1943170000e+00 -4.2920000000e-02  6.6570400000e-01 -1.0105730000e+00
-ENERGY -1.526548450346e+02
-FORCES -1.7260000000e-03  3.8139000000e-03  2.1052000000e-03 -1.6162000000e-03 -4.3681000000e-03 -2.1393000000e-03  4.8837000000e-03  5.5640000000e-04 -1.6774000000e-03 -4.5872000000e-03 -4.1592000000e-03  7.8067000000e-03  1.2770000000e-03  2.3884000000e-03 -4.2160000000e-03  1.7686000000e-03  1.7685000000e-03 -1.8793000000e-03
-
-JOB 36
-COORDS -8.0002200000e-01  8.7828000000e-01  9.3235800000e-01 -1.3420790000e+00  1.3876050000e+00  3.2986700000e-01 -1.3374580000e+00  1.1796000000e-01  1.1544140000e+00  8.5613500000e-01 -9.3008500000e-01 -9.0437000000e-01  8.4158700000e-01 -2.8952000000e-01 -1.9324700000e-01  1.0325180000e+00 -4.1251000000e-01 -1.6900150000e+00
-ENERGY -1.526592874492e+02
-FORCES -6.3639000000e-03 -2.0853000000e-03 -2.5526000000e-03  2.4544000000e-03 -1.9707000000e-03  2.6312000000e-03  2.5993000000e-03  4.0065000000e-03 -5.3660000000e-04 -1.4366000000e-03  7.5505000000e-03  2.7009000000e-03  3.7394000000e-03 -5.8147000000e-03 -4.7335000000e-03 -9.9260000000e-04 -1.6863000000e-03  2.4906000000e-03
-
-JOB 37
-COORDS  4.0183900000e-01 -8.8189400000e-01  1.2514540000e+00  1.1434630000e+00 -7.0679800000e-01  6.7217300000e-01 -3.5104900000e-01 -9.4817600000e-01  6.6408700000e-01 -3.9991900000e-01  9.4206700000e-01 -1.1552100000e+00  7.4292000000e-02  6.0218600000e-01 -1.9140490000e+00 -9.0348200000e-01  1.9474800000e-01 -8.3245400000e-01
-ENERGY -1.526496406754e+02
-FORCES  9.6250000000e-04  4.5537000000e-03 -6.5383000000e-03 -2.2047000000e-03 -2.9323000000e-03  2.7114000000e-03 -1.9200000000e-04  1.1681000000e-03 -1.2220000000e-03 -9.8760000000e-04 -3.5423000000e-03 -1.5232000000e-03 -1.3554000000e-03  1.1009000000e-03  4.7189000000e-03  3.7772000000e-03 -3.4800000000e-04  1.8532000000e-03
-
-JOB 38
-COORDS  1.1365210000e+00  9.6758200000e-01 -3.6157600000e-01  6.3987700000e-01  1.5177670000e+00 -9.6727700000e-01  1.3333760000e+00  1.7612300000e-01 -8.6264800000e-01 -1.1458640000e+00 -1.0230080000e+00  4.2638100000e-01 -4.5408800000e-01 -7.0925400000e-01 -1.5605900000e-01 -1.4021460000e+00 -2.5165300000e-01  9.3191300000e-01
-ENERGY -1.526550095169e+02
-FORCES  1.7502000000e-03  1.0508000000e-03 -4.8853000000e-03  1.3934000000e-03 -3.7573000000e-03  3.7219000000e-03 -5.3239000000e-03  2.3090000000e-03  3.8924000000e-03  5.1269000000e-03  8.5636000000e-03  1.4304000000e-03 -1.5358000000e-03 -4.6794000000e-03 -2.6274000000e-03 -1.4108000000e-03 -3.4867000000e-03 -1.5319000000e-03
-
-JOB 39
-COORDS  1.4359770000e+00 -2.0216700000e-01 -4.5786100000e-01  2.1989800000e+00  1.4701200000e-01  2.7170000000e-03  1.6872290000e+00 -1.0944810000e+00 -6.9635600000e-01 -1.5286720000e+00  2.0889700000e-01  3.9246800000e-01 -6.3073300000e-01  5.4022000000e-01  3.7971700000e-01 -1.8325120000e+00  3.7338100000e-01  1.2851370000e+00
-ENERGY -1.526582483678e+02
-FORCES  3.8954000000e-03 -5.1465000000e-03 -9.0410000000e-04 -4.2778000000e-03 -1.2688000000e-03 -1.3052000000e-03  5.7430000000e-04  4.2587000000e-03  1.0173000000e-03  5.8044000000e-03  8.8710000000e-04  1.2546000000e-03 -7.7505000000e-03  1.9258000000e-03  3.0360000000e-03  1.7543000000e-03 -6.5630000000e-04 -3.0987000000e-03
-
-JOB 40
-COORDS -6.3564800000e-01  5.0787100000e-01  1.3217080000e+00  2.7461800000e-01  6.4302000000e-01  1.5851140000e+00 -1.0945750000e+00  3.0866800000e-01  2.1377570000e+00  6.8015200000e-01 -4.8123200000e-01 -1.3800830000e+00 -9.9920000000e-03 -3.8873200000e-01 -7.2329100000e-01  2.6405000000e-01 -9.5480800000e-01 -2.1003720000e+00
-ENERGY -1.526603462820e+02
-FORCES  1.5956000000e-03  8.6520000000e-04  6.3600000000e-03 -4.9725000000e-03 -1.2269000000e-03 -1.0994000000e-03  2.4211000000e-03  1.2879000000e-03 -3.0720000000e-03 -5.8244000000e-03 -3.5650000000e-04  1.7434000000e-03  5.6606000000e-03 -2.1263000000e-03 -6.6747000000e-03  1.1196000000e-03  1.5567000000e-03  2.7427000000e-03
-
-JOB 41
-COORDS  3.3956800000e-01 -1.5428810000e+00  1.3250200000e-01  1.1857390000e+00 -1.9825800000e+00  2.1551400000e-01  2.6135100000e-01 -1.0202860000e+00  9.3063000000e-01 -4.4495900000e-01  1.5411330000e+00 -1.7307200000e-01  1.8322900000e-01  9.8640200000e-01  2.8940500000e-01  8.8493000000e-02  2.0511660000e+00 -7.8260100000e-01
-ENERGY -1.526519805149e+02
-FORCES  1.5470000000e-03 -1.9274000000e-03  3.8705000000e-03 -3.9058000000e-03  2.7262000000e-03 -8.1760000000e-04  1.9068000000e-03  1.6775000000e-03 -5.2175000000e-03  5.5383000000e-03 -2.8058000000e-03 -3.2755000000e-03 -2.7698000000e-03  1.7957000000e-03  2.8553000000e-03 -2.3165000000e-03 -1.4662000000e-03  2.5848000000e-03
-
-JOB 42
-COORDS -1.1494800000e+00  1.0561300000e+00  4.2135400000e-01 -1.7049340000e+00  9.2997900000e-01  1.1906320000e+00 -7.4237600000e-01  2.0199200000e-01  2.7662300000e-01  1.1852000000e+00 -1.0422540000e+00 -4.1103500000e-01  3.9654700000e-01 -1.1998120000e+00 -9.3010500000e-01  1.4685720000e+00 -1.6410900000e-01 -6.6557800000e-01
-ENERGY -1.526567033393e+02
-FORCES  9.9050000000e-04 -4.7471000000e-03  4.2570000000e-03  2.0860000000e-03  3.1790000000e-04 -3.1811000000e-03 -4.3485000000e-03  4.2150000000e-03 -3.0606000000e-03  1.9689000000e-03  2.6114000000e-03 -5.6260000000e-03  1.5296000000e-03  2.5898000000e-03  5.9385000000e-03 -2.2264000000e-03 -4.9869000000e-03  1.6723000000e-03
-
-JOB 43
-COORDS  1.2741730000e+00  9.7213900000e-01  6.7550000000e-03  4.4348000000e-01  1.1575110000e+00 -4.3121600000e-01  1.3936280000e+00  1.7025090000e+00  6.1381500000e-01 -1.2750290000e+00 -1.0297740000e+00 -7.1258000000e-02 -1.4025210000e+00 -6.3125800000e-01  7.8965000000e-01 -3.9722600000e-01 -1.4094800000e+00 -3.2327000000e-02
-ENERGY -1.526579915163e+02
-FORCES -3.3978000000e-03  3.9954000000e-03 -9.3010000000e-04  5.1483000000e-03  5.0280000000e-04  2.8880000000e-03 -1.2237000000e-03 -3.2549000000e-03 -2.1820000000e-03  5.1453000000e-03 -1.0720000000e-03  4.9539000000e-03 -4.7320000000e-04 -6.8350000000e-04 -3.7979000000e-03 -5.1988000000e-03  5.1230000000e-04 -9.3190000000e-04
-
-JOB 44
-COORDS -6.7445700000e-01 -9.5159300000e-01  1.1598040000e+00 -5.0413800000e-01 -3.3937100000e-01  4.4397700000e-01 -1.3411620000e+00 -1.5452310000e+00  8.1436300000e-01  7.3994300000e-01  8.9443100000e-01 -1.1217930000e+00  2.5509000000e-02  1.2734420000e+00 -1.6338140000e+00  7.8917000000e-01  1.4408060000e+00 -3.3739300000e-01
-ENERGY -1.526577091156e+02
-FORCES  4.2140000000e-04 -2.6500000000e-05 -6.9511000000e-03 -4.0629000000e-03 -1.3289000000e-03  7.2703000000e-03  2.1666000000e-03  2.3948000000e-03  1.2061000000e-03  1.3020000000e-03  6.6418000000e-03 -1.5618000000e-03  2.6026000000e-03 -2.9854000000e-03  3.5643000000e-03 -2.4298000000e-03 -4.6959000000e-03 -3.5277000000e-03
-
-JOB 45
-COORDS -1.1778020000e+00 -9.9117600000e-01 -5.6925400000e-01 -4.6580700000e-01 -1.3394050000e+00 -1.1059390000e+00 -1.3656660000e+00 -1.3229100000e-01 -9.4774500000e-01  1.1844070000e+00  9.0921300000e-01  6.4361500000e-01  3.5383600000e-01  8.6171500000e-01  1.7019500000e-01  1.3343310000e+00  1.8458630000e+00  7.7184200000e-01
-ENERGY -1.526541314667e+02
-FORCES  1.4478000000e-03 -1.3163000000e-03 -4.7329000000e-03 -3.9126000000e-03  2.3211000000e-03  2.3708000000e-03  3.5511000000e-03 -1.9953000000e-03  4.1163000000e-03 -3.8885000000e-03  1.6660000000e-03 -2.6900000000e-05  4.0859000000e-03  3.3822000000e-03 -8.4580000000e-04 -1.2836000000e-03 -4.0577000000e-03 -8.8160000000e-04
-
-JOB 46
-COORDS  6.6859700000e-01 -8.6277400000e-01 -1.2444720000e+00  1.2534490000e+00 -9.9765600000e-01 -4.9882600000e-01 -1.4392000000e-01 -1.3029410000e+00 -9.9486800000e-01 -6.9140300000e-01  9.4144500000e-01  1.1704770000e+00 -1.7757900000e-01  3.2383100000e-01  6.5012200000e-01 -5.4352300000e-01  6.7252500000e-01  2.0771440000e+00
-ENERGY -1.526546376623e+02
-FORCES  1.9780000000e-04 -5.1975000000e-03  2.9300000000e-05 -5.2553000000e-03  2.9675000000e-03 -1.7558000000e-03  4.6840000000e-03  3.9676000000e-03  6.9040000000e-04  3.1551000000e-03 -2.2373000000e-03 -6.5720000000e-04 -2.6890000000e-03  1.5530000000e-04  6.0527000000e-03 -9.2600000000e-05  3.4440000000e-04 -4.3595000000e-03
-
-JOB 47
-COORDS  3.8782000000e-02  6.1308500000e-01 -1.5870700000e+00 -1.4140100000e-01  1.5450000000e-02 -8.6139900000e-01 -1.6704500000e-01  1.0597000000e-01 -2.3723730000e+00 -1.4710000000e-03 -5.8426900000e-01  1.5392690000e+00  3.4792600000e-01  2.3502000000e-01  1.8898680000e+00 -6.7038700000e-01 -8.4950200000e-01  2.1704860000e+00
-ENERGY -1.526597924995e+02
-FORCES -1.3214000000e-03 -5.3266000000e-03  1.9725000000e-03  6.2450000000e-04  4.2433000000e-03 -7.5623000000e-03  5.2910000000e-04  1.6625000000e-03  2.9086000000e-03 -8.8120000000e-04  2.2159000000e-03  6.5176000000e-03 -2.0694000000e-03 -4.0763000000e-03 -1.3919000000e-03  3.1185000000e-03  1.2813000000e-03 -2.4445000000e-03
-
-JOB 48
-COORDS -2.9642600000e-01 -1.7063430000e+00 -2.8523000000e-01 -3.4559900000e-01 -1.4475880000e+00  6.3502000000e-01 -8.8718200000e-01 -1.1030260000e+00 -7.3606000000e-01  3.7015200000e-01  1.7015110000e+00  2.2726200000e-01  6.2312700000e-01  1.1215060000e+00  9.4547500000e-01 -5.4159700000e-01  1.4741280000e+00  4.4934000000e-02
-ENERGY -1.526517141931e+02
-FORCES -2.0515000000e-03  3.4842000000e-03  7.9840000000e-04  5.1160000000e-04  2.1320000000e-04 -3.5765000000e-03  1.7943000000e-03 -1.9986000000e-03  2.8099000000e-03 -1.4321000000e-03 -3.7535000000e-03  1.7954000000e-03 -2.1115000000e-03  2.2844000000e-03 -2.3572000000e-03  3.2892000000e-03 -2.2970000000e-04  5.3000000000e-04
-
-JOB 49
-COORDS  6.8254200000e-01 -1.1670480000e+00  1.0827520000e+00  6.7720000000e-01 -9.3212600000e-01  2.0106600000e+00  7.2148600000e-01 -2.1234420000e+00  1.0775470000e+00 -6.4103600000e-01  1.2415570000e+00 -1.1641730000e+00 -1.5490740000e+00  1.4790140000e+00 -9.7625900000e-01 -5.2686600000e-01  3.8497400000e-01 -7.5251400000e-01
-ENERGY -1.526580014973e+02
-FORCES  1.8640000000e-03 -3.3249000000e-03  5.3423000000e-03 -1.6360000000e-04 -1.6545000000e-03 -3.8995000000e-03 -4.1850000000e-04  4.2583000000e-03  1.4820000000e-04 -1.6579000000e-03 -3.9265000000e-03  3.6101000000e-03  3.2687000000e-03 -7.6040000000e-04 -6.0230000000e-04 -2.8927000000e-03  5.4081000000e-03 -4.5988000000e-03
-
-JOB 50
-COORDS -8.9673700000e-01 -1.0672600000e+00  1.1730390000e+00 -7.2260700000e-01 -1.2541740000e+00  2.0955210000e+00 -9.2262600000e-01 -1.1174500000e-01  1.1225140000e+00  9.0392300000e-01  1.0250730000e+00 -1.1652600000e+00  1.4568010000e+00  9.0510300000e-01 -1.9373770000e+00  1.8139000000e-02  1.1167950000e+00 -1.5162670000e+00
-ENERGY -1.526544458000e+02
-FORCES  2.5048000000e-03  3.8637000000e-03  3.1341000000e-03 -8.5130000000e-04  5.2900000000e-04 -3.5520000000e-03 -2.0735000000e-03 -3.9506000000e-03  4.1390000000e-04 -7.0330000000e-04 -1.6249000000e-03 -5.3868000000e-03 -2.2109000000e-03  8.8820000000e-04  2.9697000000e-03  3.3342000000e-03  2.9460000000e-04  2.4211000000e-03
-
-JOB 51
-COORDS  4.4499600000e-01 -1.7804300000e+00 -2.4371300000e-01  6.0865900000e-01 -2.4890310000e+00  3.7864600000e-01  3.7550000000e-01 -9.9529400000e-01  2.9939200000e-01 -4.2809100000e-01  1.8232780000e+00  1.3002800000e-01 -1.3166960000e+00  1.7260560000e+00  4.7231400000e-01  7.8632000000e-02  1.1492440000e+00  5.8295400000e-01
-ENERGY -1.526510075713e+02
-FORCES  5.2230000000e-04 -3.4830000000e-04  4.2356000000e-03 -9.0110000000e-04  3.3374000000e-03 -2.8612000000e-03  4.3050000000e-04 -9.8980000000e-04 -7.3060000000e-04 -2.2945000000e-03 -1.9379000000e-03  2.8151000000e-03  4.3393000000e-03  3.9450000000e-04 -1.2876000000e-03 -2.0965000000e-03 -4.5590000000e-04 -2.1712000000e-03
-
-JOB 52
-COORDS -1.0262020000e+00  1.2203660000e+00  9.7960400000e-01 -8.5610700000e-01  7.0380200000e-01  1.9191100000e-01 -8.4367200000e-01  2.1230470000e+00  7.1867800000e-01  1.0333120000e+00 -1.1975640000e+00 -8.8425500000e-01  7.3424400000e-01 -1.0642480000e+00 -1.7837090000e+00  8.9684200000e-01 -2.1309590000e+00 -7.2183100000e-01
-ENERGY -1.526559778460e+02
-FORCES  3.3906000000e-03  1.0110000000e-04 -4.3851000000e-03 -3.6429000000e-03  4.0940000000e-03  2.8994000000e-03 -9.5740000000e-04 -3.3166000000e-03  8.6940000000e-04  3.2330000000e-04 -5.4941000000e-03 -2.8241000000e-03  2.9110000000e-04  4.6580000000e-04  4.6383000000e-03  5.9530000000e-04  4.1499000000e-03 -1.1979000000e-03
-
-JOB 53
-COORDS -1.5580580000e+00 -1.0296120000e+00  3.8966800000e-01 -1.4650640000e+00 -1.5462390000e+00 -4.1075600000e-01 -6.6282400000e-01 -9.2108000000e-01  7.1061900000e-01  1.5052400000e+00  9.9534000000e-01 -3.3099500000e-01  1.0149570000e+00  1.1437270000e+00 -1.1395960000e+00  1.8324530000e+00  1.8609950000e+00 -8.6448000000e-02
-ENERGY -1.526567805782e+02
-FORCES  5.3586000000e-03 -1.1987000000e-03 -1.2062000000e-03 -6.5000000000e-04  2.2626000000e-03  2.6694000000e-03 -5.4906000000e-03 -1.9862000000e-03 -9.7240000000e-04 -4.9030000000e-04  5.5249000000e-03 -2.4408000000e-03  2.5089000000e-03 -1.0679000000e-03  3.2392000000e-03 -1.2366000000e-03 -3.5347000000e-03 -1.2892000000e-03
-
-JOB 54
-COORDS -9.0486200000e-01  1.6143450000e+00 -8.5556000000e-02 -1.3401740000e+00  1.9592730000e+00  6.9403400000e-01 -1.5832410000e+00  1.1118280000e+00 -5.3667700000e-01  1.0165970000e+00 -1.6118880000e+00  1.1021800000e-01  3.3364000000e-01 -2.2303680000e+00 -1.4917200000e-01  8.6541400000e-01 -8.4298400000e-01 -4.3947600000e-01
-ENERGY -1.526554200823e+02
-FORCES -5.1237000000e-03  5.2250000000e-04  3.0311000000e-03  1.3173000000e-03 -1.1198000000e-03 -3.7060000000e-03  3.6640000000e-03  1.2477000000e-03  1.4970000000e-03 -3.3047000000e-03  2.4525000000e-03 -2.8841000000e-03  2.3341000000e-03  2.4357000000e-03  9.7920000000e-04  1.1129000000e-03 -5.5386000000e-03  1.0828000000e-03
-
-JOB 55
-COORDS -1.8402120000e+00 -3.1729600000e-01  3.0714300000e-01 -2.3661750000e+00 -1.6249600000e-01 -4.7747900000e-01 -1.5607470000e+00  5.5511100000e-01  5.8469900000e-01  1.8953220000e+00  2.0055900000e-01 -2.8318100000e-01  2.0246210000e+00  1.0705160000e+00 -6.6092100000e-01  1.0706530000e+00  2.6803400000e-01  1.9806800000e-01
-ENERGY -1.526540267719e+02
-FORCES -3.3357000000e-03  3.4859000000e-03 -2.8257000000e-03  2.1003000000e-03 -4.2330000000e-04  3.7560000000e-03  1.2515000000e-03 -4.1351000000e-03 -1.5207000000e-03 -3.4361000000e-03  2.3675000000e-03  3.8010000000e-04 -9.4450000000e-04 -3.4188000000e-03  1.6069000000e-03  4.3646000000e-03  2.1238000000e-03 -1.3966000000e-03
-
-JOB 56
-COORDS  1.8201930000e+00 -4.2525000000e-01  1.1963200000e-01  2.5530130000e+00 -2.8504100000e-01  7.1925700000e-01  2.1775130000e+00 -2.2820000000e-01 -7.4623500000e-01 -1.9328820000e+00  3.5987200000e-01 -9.6599000000e-02 -1.0320470000e+00  3.0562700000e-01  2.2244000000e-01 -1.9765110000e+00  1.2015760000e+00 -5.5031900000e-01
-ENERGY -1.526572415440e+02
-FORCES  6.1984000000e-03  1.8390000000e-04 -1.1881000000e-03 -3.0438000000e-03 -4.7810000000e-04 -2.8212000000e-03 -1.5707000000e-03 -3.8630000000e-04  3.9411000000e-03  4.9212000000e-03  2.2956000000e-03 -3.5500000000e-05 -6.5523000000e-03  1.4692000000e-03 -1.3917000000e-03  4.7200000000e-05 -3.0842000000e-03  1.4955000000e-03
-
-JOB 57
-COORDS  7.7126100000e-01 -1.7475940000e+00 -6.9147100000e-01  1.7189830000e+00 -1.7881690000e+00 -8.1957000000e-01  6.4818100000e-01 -1.0746830000e+00 -2.1938000000e-02 -7.6771400000e-01  1.6784600000e+00  6.8215600000e-01 -7.7437600000e-01  2.3979790000e+00  5.0904000000e-02 -1.6878420000e+00  1.5554070000e+00  9.1551200000e-01
-ENERGY -1.526568232900e+02
-FORCES  2.7252000000e-03  3.7809000000e-03  2.7035000000e-03 -3.5390000000e-03  6.5000000000e-05  3.3160000000e-04  1.5115000000e-03 -5.0665000000e-03 -3.0489000000e-03 -4.6114000000e-03  3.3721000000e-03 -2.0031000000e-03 -4.9000000000e-05 -2.7797000000e-03  2.9010000000e-03  3.9626000000e-03  6.2820000000e-04 -8.8420000000e-04
-
-JOB 58
-COORDS -9.8350000000e-03 -2.5567000000e-01  1.9834760000e+00 -6.6595000000e-02 -3.3667200000e-01  2.9355520000e+00 -9.0014600000e-01 -4.2390300000e-01  1.6748060000e+00  6.3020000000e-02  2.0300900000e-01 -2.0163830000e+00  6.0443200000e-01  8.0809000000e-01 -2.5233170000e+00 -5.3817000000e-01  7.6797000000e-01 -1.5309730000e+00
-ENERGY -1.526536453123e+02
-FORCES -3.6575000000e-03 -1.9735000000e-03  2.5591000000e-03  3.3830000000e-04  3.8760000000e-04 -4.0023000000e-03  3.3787000000e-03  1.5922000000e-03  1.2801000000e-03  8.0080000000e-04  5.0734000000e-03  8.1610000000e-04 -2.3325000000e-03 -2.4652000000e-03  1.6825000000e-03  1.4722000000e-03 -2.6145000000e-03 -2.3355000000e-03
-
-JOB 59
-COORDS  2.4198800000e-01  1.8687750000e+00 -7.4070200000e-01 -6.7759600000e-01  2.0732980000e+00 -9.1031600000e-01  6.3741500000e-01  1.8026950000e+00 -1.6098990000e+00 -1.6705600000e-01 -1.8932010000e+00  8.1037600000e-01 -4.2882200000e-01 -1.3134660000e+00  9.5101000000e-02 -9.8673100000e-01 -2.1136510000e+00  1.2528310000e+00
-ENERGY -1.526545875923e+02
-FORCES -1.1331000000e-03  2.4563000000e-03 -4.3267000000e-03  3.7561000000e-03 -1.8505000000e-03  8.4860000000e-04 -2.0773000000e-03 -9.7300000000e-05  3.7907000000e-03 -3.7203000000e-03  2.8768000000e-03 -1.0469000000e-03  4.6800000000e-05 -4.2109000000e-03  2.5602000000e-03  3.1279000000e-03  8.2570000000e-04 -1.8260000000e-03
-
-JOB 60
-COORDS -1.7930200000e-01  5.1215000000e-01  1.9711650000e+00  1.9632600000e-01 -8.4787000000e-02  2.6183130000e+00  2.7619500000e-01  1.3413550000e+00  2.1166790000e+00  1.2783700000e-01 -5.0803000000e-01 -1.9546950000e+00 -5.9812200000e-01 -7.9971600000e-01 -2.5061790000e+00  8.9087300000e-01 -5.2748700000e-01 -2.5323020000e+00
-ENERGY -1.526526703964e+02
-FORCES  3.7924000000e-03  7.2580000000e-04  2.2187000000e-03 -1.6481000000e-03  2.4474000000e-03 -2.3970000000e-03 -1.9282000000e-03 -3.2353000000e-03 -2.4120000000e-04 -3.2230000000e-04 -1.2709000000e-03 -4.2818000000e-03  3.1102000000e-03  1.1584000000e-03  2.1383000000e-03 -3.0040000000e-03  1.7460000000e-04  2.5630000000e-03
-
-JOB 61
-COORDS -3.3632500000e-01  4.0294100000e-01  2.0308680000e+00 -2.6136000000e-01  1.2082330000e+00  1.5188930000e+00 -1.2415940000e+00  3.9966600000e-01  2.3418490000e+00  3.4579100000e-01 -4.1102200000e-01 -2.0617260000e+00  1.0112540000e+00 -1.0712430000e+00 -2.2553740000e+00  3.0461200000e-01 -3.8498000000e-01 -1.1057670000e+00
-ENERGY -1.526561654845e+02
-FORCES -4.1310000000e-03  4.0305000000e-03  1.0013000000e-03 -7.0500000000e-05 -4.3857000000e-03  1.4202000000e-03  3.9580000000e-03  1.0660000000e-04 -1.2918000000e-03  2.5527000000e-03 -3.2728000000e-03  3.6915000000e-03 -2.6109000000e-03  2.6393000000e-03  5.0970000000e-04  3.0170000000e-04  8.8220000000e-04 -5.3309000000e-03
-
-JOB 62
-COORDS -4.3084000000e-01 -2.0924710000e+00 -2.8198000000e-02  4.2038600000e-01 -2.3687810000e+00 -3.6775500000e-01 -7.2654300000e-01 -1.4191270000e+00 -6.4089700000e-01  4.0588000000e-01  2.0979400000e+00  3.3222000000e-02  1.0823220000e+00  1.7332560000e+00  6.0389100000e-01 -4.1738800000e-01  1.8978210000e+00  4.7865900000e-01
-ENERGY -1.526555740722e+02
-FORCES  2.3792000000e-03  1.4410000000e-03 -4.7521000000e-03 -3.3886000000e-03  9.9050000000e-04  1.6719000000e-03  7.6710000000e-04 -3.0604000000e-03  3.1381000000e-03 -4.3770000000e-04 -1.8908000000e-03  5.2084000000e-03 -2.5462000000e-03  1.7013000000e-03 -2.7358000000e-03  3.2261000000e-03  8.1840000000e-04 -2.5306000000e-03
-
-JOB 63
-COORDS -7.0681600000e-01 -1.8556090000e+00  8.6883500000e-01 -4.2499400000e-01 -2.0075660000e+00 -3.3227000000e-02 -4.0771300000e-01 -9.6830200000e-01  1.0674660000e+00  6.5598300000e-01  1.8778530000e+00 -8.4473500000e-01  5.7758900000e-01  1.1100930000e+00 -1.4109780000e+00  1.1189880000e+00  1.5585420000e+00 -7.0203000000e-02
-ENERGY -1.526530875370e+02
-FORCES  1.3964000000e-03  2.8838000000e-03 -2.6054000000e-03 -7.1890000000e-04  1.1095000000e-03  3.6708000000e-03 -2.2360000000e-04 -3.9522000000e-03 -1.0961000000e-03  2.3855000000e-03 -3.1829000000e-03 -4.7900000000e-05  8.4400000000e-05  2.6695000000e-03  3.1669000000e-03 -2.9237000000e-03  4.7220000000e-04 -3.0883000000e-03
-
-JOB 64
-COORDS -1.3197400000e+00  1.3420180000e+00 -9.7576800000e-01 -5.4639500000e-01  1.4273680000e+00 -4.1819800000e-01 -1.9642500000e+00  1.9314250000e+00 -5.8405700000e-01  1.3728600000e+00 -1.4201670000e+00  9.3756800000e-01  1.3574220000e+00 -5.0296900000e-01  6.6417700000e-01  4.5206400000e-01 -1.6477480000e+00  1.0663020000e+00
-ENERGY -1.526533217996e+02
-FORCES -1.5220000000e-04  3.9594000000e-03  3.2622000000e-03 -2.5490000000e-03 -1.7136000000e-03 -1.7212000000e-03  2.8402000000e-03 -2.7100000000e-03 -1.6657000000e-03 -4.1467000000e-03  1.9866000000e-03 -1.2364000000e-03 -2.5100000000e-04 -2.6863000000e-03  1.3443000000e-03  4.2588000000e-03  1.1639000000e-03  1.6700000000e-05
-
-JOB 65
-COORDS -1.3513090000e+00 -2.6147700000e-01  1.6319830000e+00 -1.4503890000e+00 -1.1659100000e-01  6.9101400000e-01 -2.1063870000e+00 -7.9814100000e-01  1.8729830000e+00  1.3935900000e+00  3.4659800000e-01 -1.5963820000e+00  1.1912830000e+00 -1.8562600000e-01 -8.2694000000e-01  1.7598820000e+00 -2.7310900000e-01 -2.2272750000e+00
-ENERGY -1.526551033229e+02
-FORCES -4.6518000000e-03 -8.9150000000e-04 -2.3978000000e-03  1.3978000000e-03 -1.5721000000e-03  4.1929000000e-03  3.1745000000e-03  2.2033000000e-03 -1.0390000000e-03  1.9066000000e-03 -4.6553000000e-03  9.2990000000e-04 -1.8600000000e-04  2.3646000000e-03 -4.2383000000e-03 -1.6411000000e-03  2.5511000000e-03  2.5522000000e-03
-
-JOB 66
-COORDS  1.6414490000e+00  1.4380520000e+00  7.8847000000e-02  1.4024430000e+00  1.0369260000e+00 -7.5674000000e-01  8.8920900000e-01  1.9843730000e+00  3.0666600000e-01 -1.5797220000e+00 -1.5011330000e+00 -7.5504000000e-02 -1.8322310000e+00 -6.1956800000e-01 -3.4993700000e-01 -1.3395950000e+00 -1.4060050000e+00  8.4619100000e-01
-ENERGY -1.526541293106e+02
-FORCES -3.2766000000e-03  4.7770000000e-04 -3.0491000000e-03  7.4620000000e-04  2.2949000000e-03  3.6929000000e-03  2.6073000000e-03 -2.6637000000e-03 -7.5680000000e-04 -5.7900000000e-05  3.4560000000e-03  3.3939000000e-03  1.5020000000e-03 -3.2088000000e-03  7.4300000000e-04 -1.5210000000e-03 -3.5610000000e-04 -4.0239000000e-03
-
-JOB 67
-COORDS -4.5518400000e-01 -1.9770330000e+00  6.8030700000e-01 -7.3394400000e-01 -2.7518220000e+00  1.1683920000e+00 -1.0785650000e+00 -1.2964130000e+00  9.3404800000e-01  5.0199100000e-01  2.0358820000e+00 -7.6089000000e-01  1.2627010000e+00  1.4628330000e+00 -6.6514400000e-01 -1.5704500000e-01  1.6593320000e+00 -1.7769700000e-01
-ENERGY -1.526543522779e+02
-FORCES -4.1707000000e-03 -1.7021000000e-03  3.1557000000e-03  1.1237000000e-03  3.3267000000e-03 -2.0471000000e-03  3.2286000000e-03 -1.7676000000e-03 -1.2449000000e-03  9.2480000000e-04 -4.7140000000e-03  2.5025000000e-03 -2.9852000000e-03  3.1634000000e-03 -4.2090000000e-04  1.8788000000e-03  1.6936000000e-03 -1.9452000000e-03
-
-JOB 68
-COORDS  1.7285880000e+00  4.7029700000e-01 -1.2583830000e+00  2.4492180000e+00  7.0861100000e-01 -6.7517600000e-01  2.0587460000e+00  6.5815300000e-01 -2.1369830000e+00 -1.8088150000e+00 -4.4997800000e-01  1.2352180000e+00 -2.1459260000e+00 -7.2391800000e-01  2.0881810000e+00 -1.0600960000e+00 -1.0250100000e+00  1.0771350000e+00
-ENERGY -1.526542836707e+02
-FORCES  4.0734000000e-03  2.4697000000e-03 -1.5726000000e-03 -2.9122000000e-03 -1.3414000000e-03 -2.3120000000e-03 -1.1769000000e-03 -8.2290000000e-04  3.6630000000e-03  2.3421000000e-03 -3.3581000000e-03  1.9564000000e-03  1.3756000000e-03  1.2027000000e-03 -3.3824000000e-03 -3.7021000000e-03  1.8499000000e-03  1.6476000000e-03
-
-JOB 69
-COORDS -6.1252500000e-01 -1.8673080000e+00 -1.0861890000e+00 -1.0801450000e+00 -2.6933450000e+00 -1.2095810000e+00  7.9022000000e-02 -2.0745860000e+00 -4.5767400000e-01  6.2455300000e-01  1.8725090000e+00  1.0183270000e+00 -7.2895000000e-02  1.7909340000e+00  1.6688230000e+00  8.8399600000e-01  2.7929890000e+00  1.0587900000e+00
-ENERGY -1.526539278278e+02
-FORCES  1.6071000000e-03 -3.6744000000e-03  2.1715000000e-03  1.7752000000e-03  3.4569000000e-03  5.1860000000e-04 -3.2157000000e-03  8.9800000000e-05 -2.6168000000e-03 -2.3379000000e-03  3.5445000000e-03  2.2747000000e-03  3.1740000000e-03  3.3700000000e-04 -2.2833000000e-03 -1.0028000000e-03 -3.7538000000e-03 -6.4800000000e-05
-
-JOB 70
-COORDS  3.2295100000e-01  1.1108620000e+00  2.0394520000e+00 -6.0725300000e-01  1.2256840000e+00  2.2337930000e+00  4.2994800000e-01  1.6625200000e-01  1.9276680000e+00 -2.7222600000e-01 -1.1159070000e+00 -1.9952320000e+00  8.4034000000e-02 -1.1811600000e+00 -2.8812640000e+00 -6.9926200000e-01 -2.5959400000e-01 -1.9707370000e+00
-ENERGY -1.526550409807e+02
-FORCES -3.0002000000e-03 -4.0058000000e-03  3.7330000000e-04  3.6563000000e-03 -2.3390000000e-04 -1.0020000000e-03 -5.5700000000e-04  4.3155000000e-03  1.0287000000e-03  7.7600000000e-05  3.5494000000e-03 -3.8312000000e-03 -1.5595000000e-03  2.3030000000e-04  3.5408000000e-03  1.3827000000e-03 -3.8555000000e-03 -1.0950000000e-04
-
-JOB 71
-COORDS -3.9919500000e-01  1.3682620000e+00 -1.9706540000e+00 -6.2410000000e-03  5.1571200000e-01 -1.7836320000e+00 -1.1340290000e+00  1.4328230000e+00 -1.3606680000e+00  3.6928800000e-01 -1.3495680000e+00  1.9557720000e+00  1.2189110000e+00 -1.0561100000e+00  2.2847950000e+00  4.0146700000e-01 -1.1716360000e+00  1.0158060000e+00
-ENERGY -1.526533957528e+02
-FORCES -2.0757000000e-03 -2.7939000000e-03  2.7531000000e-03 -1.2289000000e-03  3.2271000000e-03  7.7400000000e-05  3.4760000000e-03 -4.9200000000e-04 -2.6203000000e-03  4.1917000000e-03  1.7689000000e-03 -1.8585000000e-03 -3.6873000000e-03 -1.3260000000e-03 -1.4775000000e-03 -6.7590000000e-04 -3.8410000000e-04  3.1257000000e-03
-
-JOB 72
-COORDS  2.0637900000e-01  2.3170220000e+00  1.1585600000e-01 -7.2306400000e-01  2.5277880000e+00  2.0500000000e-01  6.6087600000e-01  3.0839620000e+00  4.6437900000e-01 -2.0473300000e-01 -2.3394400000e+00 -8.2272000000e-02  1.6771300000e-01 -1.8697680000e+00 -8.2854600000e-01 -1.6401000000e-01 -3.2618660000e+00 -3.3466600000e-01
-ENERGY -1.526544279150e+02
-FORCES -2.1388000000e-03  3.7844000000e-03  2.3842000000e-03  3.8902000000e-03 -5.5920000000e-04 -6.2570000000e-04 -1.8476000000e-03 -3.0419000000e-03 -1.5236000000e-03  2.0738000000e-03 -1.0539000000e-03 -4.0725000000e-03 -1.7707000000e-03 -2.8144000000e-03  2.7601000000e-03 -2.0700000000e-04  3.6851000000e-03  1.0775000000e-03
-
-JOB 73
-COORDS -5.7891600000e-01 -4.2254600000e-01 -2.2505500000e+00 -4.0837500000e-01 -1.3227630000e+00 -2.5276010000e+00 -3.8785100000e-01  1.0706700000e-01 -3.0246540000e+00  5.4533900000e-01  4.9645200000e-01  2.3423810000e+00  1.2124760000e+00 -1.6544900000e-01  2.5241690000e+00  1.0084200000e-01  1.7954700000e-01  1.5561080000e+00
-ENERGY -1.526553854128e+02
-FORCES  1.2549000000e-03 -1.1470000000e-03 -5.1173000000e-03 -5.7200000000e-04  3.7026000000e-03  1.4348000000e-03 -7.9060000000e-04 -2.4301000000e-03  3.1016000000e-03  5.6860000000e-04 -3.8286000000e-03 -3.3048000000e-03 -2.5242000000e-03  2.5475000000e-03 -5.2080000000e-04  2.0634000000e-03  1.1555000000e-03  4.4066000000e-03
-
-JOB 74
-COORDS  3.9390400000e-01  1.5006500000e+00 -1.9367400000e+00  1.3110060000e+00  1.5784860000e+00 -2.1996050000e+00 -8.1384000000e-02  2.0528430000e+00 -2.5575600000e+00 -3.7733700000e-01 -1.4758420000e+00  2.0086270000e+00 -5.2461500000e-01 -2.2489640000e+00  2.5534420000e+00 -8.5338400000e-01 -1.6588420000e+00  1.1986130000e+00
-ENERGY -1.526541148735e+02
-FORCES  2.1578000000e-03  2.8219000000e-03 -3.2609000000e-03 -3.8462000000e-03 -3.0080000000e-04  8.1540000000e-04  1.8660000000e-03 -2.3731000000e-03  2.4997000000e-03 -2.5587000000e-03 -3.4144000000e-03 -1.7227000000e-03  6.5000000000e-04  3.1300000000e-03 -2.1403000000e-03  1.7311000000e-03  1.3650000000e-04  3.8087000000e-03
-
-JOB 75
-COORDS -1.0264840000e+00  2.1561480000e+00 -9.0574100000e-01 -4.7922200000e-01  1.4844630000e+00 -1.3126510000e+00 -7.1118500000e-01  2.9800670000e+00 -1.2771910000e+00  9.2990100000e-01 -2.1308000000e+00  9.2320200000e-01  1.7534950000e+00 -2.2998870000e+00  4.6567000000e-01  1.0375190000e+00 -2.5535370000e+00  1.7752260000e+00
-ENERGY -1.526540557261e+02
-FORCES  3.6241000000e-03 -8.6200000000e-05 -2.8088000000e-03 -2.2248000000e-03  3.3555000000e-03  1.0703000000e-03 -1.2647000000e-03 -3.2676000000e-03  1.5079000000e-03  3.5837000000e-03 -2.5107000000e-03  2.2087000000e-03 -3.4295000000e-03  9.1930000000e-04  1.6095000000e-03 -2.8870000000e-04  1.5896000000e-03 -3.5876000000e-03
-
-JOB 76
-COORDS  5.0501100000e-01  1.2085200000e+00 -2.3329780000e+00  8.6632700000e-01  1.0219200000e+00 -1.4664550000e+00 -2.9602900000e-01  1.7023350000e+00 -2.1577280000e+00 -4.7165800000e-01 -1.1883790000e+00  2.3267020000e+00 -1.1855970000e+00 -1.7913990000e+00  2.1196030000e+00  1.1182500000e-01 -1.2382070000e+00  1.5695380000e+00
-ENERGY -1.526541560604e+02
-FORCES -1.7919000000e-03  1.9789000000e-03  4.1689000000e-03 -1.5042000000e-03  6.5700000000e-05 -3.4821000000e-03  3.3145000000e-03 -2.2240000000e-03 -8.2280000000e-04 -6.5990000000e-04 -3.3933000000e-03 -3.6225000000e-03  2.9639000000e-03  2.6395000000e-03  8.6710000000e-04 -2.3224000000e-03  9.3320000000e-04  2.8915000000e-03
-
-JOB 77
-COORDS  2.3959390000e+00 -1.2897110000e+00  4.4139200000e-01  1.4731040000e+00 -1.2975590000e+00  1.8733300000e-01  2.8521660000e+00 -9.3680200000e-01 -3.2250900000e-01 -2.3693690000e+00  1.2319000000e+00 -4.4117800000e-01 -3.1220440000e+00  1.7202800000e+00 -1.0771700000e-01 -1.6598920000e+00  1.4398390000e+00  1.6679800000e-01
-ENERGY -1.526546133662e+02
-FORCES -1.8956000000e-03  9.4720000000e-04 -4.5000000000e-03  3.9212000000e-03  3.9530000000e-04  1.4067000000e-03 -1.8076000000e-03 -1.3175000000e-03  3.2445000000e-03 -6.6170000000e-04  3.2044000000e-03  3.9786000000e-03  3.1217000000e-03 -1.9744000000e-03 -1.3796000000e-03 -2.6780000000e-03 -1.2551000000e-03 -2.7502000000e-03
-
-JOB 78
-COORDS -1.2886860000e+00 -6.0039000000e-02 -2.4620000000e+00 -1.7394320000e+00 -4.3266700000e-01 -3.2197660000e+00 -1.3065390000e+00 -7.5659400000e-01 -1.8057040000e+00  1.3259760000e+00  7.2380000000e-02  2.4495330000e+00  1.8602090000e+00  4.8735500000e-01  3.1267500000e+00  6.9209200000e-01  7.4430100000e-01  2.1986460000e+00
-ENERGY -1.526545160085e+02
-FORCES -1.6404000000e-03 -4.6182000000e-03 -4.4830000000e-04  1.7826000000e-03  1.5407000000e-03  3.0567000000e-03 -2.2170000000e-04  3.0632000000e-03 -2.7355000000e-03 -2.2140000000e-04  4.7056000000e-03  1.5676000000e-03 -2.1859000000e-03 -1.7099000000e-03 -2.6763000000e-03  2.4869000000e-03 -2.9815000000e-03  1.2358000000e-03
-
-JOB 79
-COORDS  1.5659150000e+00 -6.7499700000e-01 -2.2204020000e+00  1.7000530000e+00  6.5301000000e-02 -2.8121780000e+00  2.2967520000e+00 -6.2519400000e-01 -1.6042620000e+00 -1.6568650000e+00  6.0517200000e-01  2.2561740000e+00 -1.5401620000e+00  5.0858200000e-01  1.3110380000e+00 -9.6010200000e-01  1.2043450000e+00  2.5240260000e+00
-ENERGY -1.526544474655e+02
-FORCES  3.9896000000e-03  2.7919000000e-03 -3.9980000000e-04 -6.9020000000e-04 -2.9494000000e-03  2.6605000000e-03 -3.2376000000e-03  3.1700000000e-05 -2.3954000000e-03  3.2670000000e-03  1.7530000000e-03 -3.0871000000e-03 -5.9660000000e-04  7.2220000000e-04  4.2207000000e-03 -2.7322000000e-03 -2.3494000000e-03 -9.9900000000e-04
-
-JOB 80
-COORDS -2.7136040000e+00 -8.4575800000e-01  6.4445000000e-02 -3.5655810000e+00 -1.2803880000e+00  2.6182000000e-02 -2.7676210000e+00 -1.5335100000e-01 -5.9425600000e-01  2.7435570000e+00  8.7854600000e-01 -5.8742000000e-02  3.4738080000e+00  3.0246300000e-01 -2.8478000000e-01  2.4368710000e+00  5.5603000000e-01  7.8870100000e-01
-ENERGY -1.526544641806e+02
-FORCES -3.5712000000e-03  1.2328000000e-03 -3.0512000000e-03  3.4633000000e-03  1.7272000000e-03  1.8530000000e-04 -3.4200000000e-05 -2.9336000000e-03  2.7761000000e-03  1.3819000000e-03 -3.9324000000e-03  2.6485000000e-03 -2.8399000000e-03  2.4022000000e-03  8.7120000000e-04  1.6001000000e-03  1.5038000000e-03 -3.4299000000e-03
-
-JOB 81
-COORDS -2.1381900000e-01  3.0974170000e+00 -4.5595200000e-01 -7.3109300000e-01  3.3806620000e+00  2.9799200000e-01  3.8286700000e-01  2.4372670000e+00 -1.0324900000e-01  2.4709200000e-01 -3.1232870000e+00  3.5200200000e-01  5.5336100000e-01 -2.5980540000e+00  1.0913000000e+00 -6.5959700000e-01 -2.8462610000e+00  2.2008200000e-01
-ENERGY -1.526538264407e+02
-FORCES  5.1980000000e-04 -1.2845000000e-03  4.3528000000e-03  2.0928000000e-03 -1.3411000000e-03 -3.0654000000e-03 -2.6328000000e-03  2.5842000000e-03 -1.2679000000e-03 -2.5929000000e-03  2.9847000000e-03  2.3543000000e-03 -1.2125000000e-03 -1.8927000000e-03 -3.0568000000e-03  3.8256000000e-03 -1.0505000000e-03  6.8310000000e-04
-
-JOB 82
-COORDS  2.0674900000e+00  2.9150070000e+00 -7.9752200000e-01  2.0369450000e+00  3.1251910000e+00  1.3581700000e-01  2.6451650000e+00  3.5787990000e+00 -1.1742230000e+00 -2.1616470000e+00 -2.9686000000e+00  7.4478700000e-01 -1.6626080000e+00 -2.1614130000e+00  8.6984500000e-01 -1.5315920000e+00 -3.6689780000e+00  9.1429500000e-01
-ENERGY -1.526542082110e+02
-FORCES  2.2661000000e-03  3.7590000000e-03  2.1175000000e-03  8.5400000000e-05 -1.0115000000e-03 -3.7609000000e-03 -2.3458000000e-03 -2.7286000000e-03  1.5861000000e-03  4.7060000000e-03  5.6590000000e-04  9.7630000000e-04 -2.1131000000e-03 -3.3726000000e-03 -3.0740000000e-04 -2.5985000000e-03  2.7878000000e-03 -6.1160000000e-04
-
-JOB 83
-COORDS -9.7398200000e-01 -3.5638800000e+00 -1.0600020000e+00 -5.3232600000e-01 -4.3900950000e+00 -8.6368500000e-01 -4.4153700000e-01 -3.1647120000e+00 -1.7480430000e+00  8.6134100000e-01  3.6305530000e+00  1.0948660000e+00  1.0574470000e+00  3.1028840000e+00  3.2069600000e-01  1.6099770000e+00  3.4927020000e+00  1.6751870000e+00
-ENERGY -1.526539337149e+02
-FORCES  3.8489000000e-03 -1.8446000000e-03 -2.0255000000e-03 -1.7653000000e-03  3.4191000000e-03 -8.0120000000e-04 -2.0985000000e-03 -1.5453000000e-03  2.8526000000e-03  3.7254000000e-03 -2.8339000000e-03 -7.2470000000e-04 -7.0520000000e-04  2.2051000000e-03  3.0934000000e-03 -3.0052000000e-03  5.9960000000e-04 -2.3945000000e-03
-
-JOB 84
-COORDS -3.9355050000e+00  2.3167500000e-01  3.6760100000e-01 -3.8496740000e+00 -6.8248100000e-01  6.3812700000e-01 -4.1146830000e+00  1.8818000000e-01 -5.7167300000e-01  3.8969570000e+00 -1.3500200000e-01 -3.5636600000e-01  4.5329350000e+00  6.7074000000e-02  3.2987600000e-01  4.0385490000e+00 -1.0617760000e+00 -5.4942800000e-01
-ENERGY -1.526539589314e+02
-FORCES -1.4700000000e-04 -3.8506000000e-03 -2.7956000000e-03 -4.4270000000e-04  3.6833000000e-03 -1.0653000000e-03  6.1440000000e-04  1.4680000000e-04  3.8417000000e-03  3.1476000000e-03 -2.8639000000e-03  2.0930000000e-03 -2.5643000000e-03 -8.6270000000e-04 -2.8289000000e-03 -6.0820000000e-04  3.7471000000e-03  7.5520000000e-04
-
-JOB 85
-COORDS  1.0424560000e+00  2.3238800000e+00  3.5681070000e+00  4.6157600000e-01  1.7067130000e+00  4.0129850000e+00  1.0624680000e+00  2.0225160000e+00  2.6598060000e+00 -9.7514700000e-01 -2.2685230000e+00 -3.4976260000e+00 -1.8400060000e+00 -2.6780610000e+00 -3.5206330000e+00 -8.1131000000e-01 -2.0027650000e+00 -4.4024810000e+00
-ENERGY -1.526542960397e+02
-FORCES -2.2725000000e-03 -3.8361000000e-03 -2.0046000000e-03  2.3439000000e-03  2.5470000000e-03 -1.7313000000e-03 -7.1400000000e-05  1.3122000000e-03  3.7733000000e-03 -2.8477000000e-03 -6.5100000000e-04 -3.9029000000e-03  3.5266000000e-03  1.6972000000e-03  1.4490000000e-04 -6.7900000000e-04 -1.0692000000e-03  3.7206000000e-03
-
-JOB 86
-COORDS  1.1164010000e+00  4.0615130000e+00 -1.6387610000e+00  1.4474250000e+00  4.8803820000e+00 -1.2698320000e+00  7.1664300000e-01  3.6081820000e+00 -8.9652300000e-01 -1.1016530000e+00 -4.0453600000e+00  1.5237680000e+00 -6.5933800000e-01 -4.8728310000e+00  1.7131940000e+00 -1.7460510000e+00 -3.9516010000e+00  2.2253320000e+00
-ENERGY -1.526540782404e+02
-FORCES -3.0280000000e-04  1.3354000000e-03  4.5465000000e-03 -1.3418000000e-03 -3.3015000000e-03 -1.5117000000e-03  1.6385000000e-03  1.9788000000e-03 -3.0167000000e-03 -8.2420000000e-04 -3.0782000000e-03  3.5693000000e-03 -1.8120000000e-03  3.3937000000e-03 -7.4210000000e-04  2.6423000000e-03 -3.2810000000e-04 -2.8452000000e-03
-
-JOB 87
-COORDS  3.2330510000e+00  4.8654300000e+00  1.9663820000e+00  3.8776950000e+00  5.4633620000e+00  2.3447250000e+00  2.6383710000e+00  4.6650340000e+00  2.6891750000e+00 -3.2657490000e+00 -4.8294320000e+00 -2.0286060000e+00 -3.6302430000e+00 -5.6381600000e+00 -1.6689740000e+00 -2.3615080000e+00 -5.0515910000e+00 -2.2504740000e+00
-ENERGY -1.526540618740e+02
-FORCES  1.6230000000e-04  1.6213000000e-03  4.4818000000e-03 -2.6170000000e-03 -2.4424000000e-03 -1.5430000000e-03  2.4509000000e-03  8.2160000000e-04 -2.9370000000e-03  2.2330000000e-03 -4.1776000000e-03  5.4660000000e-04  1.4761000000e-03  3.2953000000e-03 -1.4592000000e-03 -3.7053000000e-03  8.8190000000e-04  9.1080000000e-04
-
-JOB 88
-COORDS  6.5140830000e+00  3.3218600000e-01  2.1156830000e+00  7.3063890000e+00 -2.0484200000e-01  2.1248120000e+00  5.8194070000e+00 -2.6950300000e-01  1.8480490000e+00 -6.5176370000e+00 -2.7342500000e-01 -2.1667970000e+00 -5.7582760000e+00 -5.9540000000e-02 -1.6247130000e+00 -7.2460050000e+00 -3.2918600000e-01 -1.5482480000e+00
-ENERGY -1.526540805825e+02
-FORCES  4.2690000000e-04 -4.6468000000e-03 -1.0714000000e-03 -3.2402000000e-03  2.1896000000e-03 -3.0700000000e-05  2.8134000000e-03  2.4595000000e-03  1.1032000000e-03  1.1500000000e-04  6.7500000000e-04  4.7341000000e-03 -3.0899000000e-03 -8.9320000000e-04 -2.2122000000e-03  2.9748000000e-03  2.1590000000e-04 -2.5231000000e-03
-
-JOB 89
-COORDS -1.6101070000e+00  3.4038110000e+00  7.1104700000e+00 -1.8275300000e+00  2.9376680000e+00  7.9177300000e+00 -1.7228370000e+00  2.7516380000e+00  6.4189550000e+00  1.6151450000e+00 -3.4071090000e+00 -7.1038380000e+00  1.8122420000e+00 -2.9348240000e+00 -7.9127460000e+00  1.6278590000e+00 -2.7337720000e+00 -6.4236270000e+00
-ENERGY -1.526540861829e+02
-FORCES -1.3530000000e-03 -4.5669000000e-03  4.8720000000e-04  8.8850000000e-04  1.9031000000e-03 -3.2967000000e-03  4.6490000000e-04  2.6655000000e-03  2.8099000000e-03  8.6460000000e-04  4.6782000000e-03 -5.3870000000e-04 -8.0670000000e-04 -1.9281000000e-03  3.3029000000e-03 -5.8300000000e-05 -2.7518000000e-03 -2.7647000000e-03
-
-JOB 0
-COORDS  1.1738210000e+00 -4.0006500000e-01 -5.7708300000e-01  6.8510000000e-01  2.1630500000e-01 -1.1224930000e+00  6.0975900000e-01 -5.4839200000e-01  1.8190600000e-01 -1.0946230000e+00  3.4811200000e-01  4.9315500000e-01 -1.4497410000e+00 -1.7266700000e-01  1.2135110000e+00 -9.8486600000e-01  1.2245510000e+00  8.6198900000e-01
-ENERGY -1.526542018172e+02
-FORCES -1.9367200000e-02  6.7425000000e-03  5.7211000000e-03  3.7460000000e-03  6.4370000000e-04 -1.5420000000e-03  4.0910000000e-03 -4.5934000000e-03  3.4157000000e-03  6.4583000000e-03  2.7400000000e-04 -1.4048000000e-03  5.2560000000e-03  1.8158000000e-03 -3.7545000000e-03 -1.8410000000e-04 -4.8826000000e-03 -2.4355000000e-03
-
-JOB 1
-COORDS  1.1648400000e+00  6.2671500000e-01 -2.9210600000e-01  1.6368200000e+00 -2.0063900000e-01 -1.9748800000e-01  2.4639600000e-01  3.9646300000e-01 -1.5183500000e-01 -1.1433000000e+00 -5.1044200000e-01  2.4918700000e-01 -1.0192870000e+00 -6.9410300000e-01  1.1803800000e+00 -1.2167090000e+00 -1.3736140000e+00 -1.5797100000e-01
-ENERGY -1.526570496008e+02
-FORCES -1.7583900000e-02 -1.1058500000e-02  3.1437000000e-03 -1.2955000000e-03  1.4452000000e-03  1.5230000000e-04  7.0977000000e-03  4.6002000000e-03  6.5010000000e-04  9.4222000000e-03  4.1380000000e-04 -1.3245000000e-03  9.6150000000e-04  5.4420000000e-04 -6.0684000000e-03  1.3981000000e-03  4.0551000000e-03  3.4468000000e-03
-
-JOB 2
-COORDS  2.1541500000e-01  6.6188700000e-01  1.1631280000e+00 -3.0908000000e-02  2.9681500000e-01  3.1325800000e-01  1.1720280000e+00  6.8960000000e-01  1.1442580000e+00 -2.1809600000e-01 -5.9850000000e-01 -1.1426580000e+00 -1.1744910000e+00 -6.3344000000e-01 -1.1247400000e+00  5.8976000000e-02 -1.3156410000e+00 -5.7241900000e-01
-ENERGY -1.526562652544e+02
-FORCES -1.0570000000e-04 -5.0287000000e-03 -1.8674600000e-02 -1.3329000000e-03 -3.0519000000e-03  1.0097100000e-02 -2.7931000000e-03 -1.6508000000e-03 -2.0820000000e-04 -1.2450000000e-03 -9.3270000000e-04  6.2739000000e-03  6.5598000000e-03  1.8542000000e-03  2.6533000000e-03 -1.0830000000e-03  8.8097000000e-03 -1.4160000000e-04
-
-JOB 3
-COORDS -9.9664300000e-01  7.9457300000e-01  6.4849000000e-02 -1.4468310000e+00  9.7147600000e-01 -7.6114600000e-01 -1.6790080000e+00  4.5033100000e-01  6.4113700000e-01  1.0850120000e+00 -8.3541400000e-01  2.9560000000e-03  4.7966600000e-01 -1.0753200000e-01  1.4428900000e-01  1.2967540000e+00 -7.9383700000e-01 -9.2960400000e-01
-ENERGY -1.526579430733e+02
-FORCES  4.2874000000e-03 -8.9012000000e-03 -2.2733000000e-03  1.3627000000e-03 -1.1133000000e-03  4.3161000000e-03  3.0150000000e-03  2.1875000000e-03 -3.6767000000e-03 -1.4090100000e-02  1.2194700000e-02 -2.3652000000e-03  6.6089000000e-03 -4.5353000000e-03  1.9921000000e-03 -1.1840000000e-03  1.6770000000e-04  2.0069000000e-03
-
-JOB 4
-COORDS -3.3701000000e-01 -8.4974000000e-01 -9.3533400000e-01 -8.6699400000e-01 -1.4849630000e+00 -4.5383600000e-01  5.2379400000e-01 -1.2618930000e+00 -1.0086730000e+00  3.4991900000e-01  9.4920600000e-01  9.5804400000e-01  5.9376000000e-01  7.2590700000e-01  5.9762000000e-02 -5.4176200000e-01  6.1488700000e-01  1.0548290000e+00
-ENERGY -1.526536149722e+02
-FORCES  2.7710000000e-03 -2.0090000000e-04  8.7672000000e-03  2.0001000000e-03  3.7153000000e-03 -1.5989000000e-03 -3.4179000000e-03  4.6190000000e-03  9.3770000000e-04 -8.0196000000e-03 -1.0540300000e-02 -1.2664700000e-02  6.2368000000e-03  1.6666000000e-03  9.4110000000e-04  4.2960000000e-04  7.4030000000e-04  3.6175000000e-03
-
-JOB 5
-COORDS  5.3442700000e-01  1.5416400000e-01 -1.2620520000e+00  4.0705600000e-01  1.3776800000e-01 -3.1350600000e-01  3.9147200000e-01  1.0682150000e+00 -1.5076250000e+00 -4.6879500000e-01 -1.6362100000e-01  1.2141820000e+00 -1.4061480000e+00 -3.9849000000e-02  1.0649150000e+00 -3.7876600000e-01 -1.0950890000e+00  1.4154150000e+00
-ENERGY -1.526596916858e+02
-FORCES -5.1187000000e-03  7.8420000000e-04  1.5274700000e-02  4.4344000000e-03  2.2460000000e-04 -9.1419000000e-03 -8.4330000000e-04 -2.6691000000e-03  1.7744000000e-03 -2.4907000000e-03 -2.6460000000e-03 -7.5436000000e-03  4.6678000000e-03 -7.5710000000e-04  1.4088000000e-03 -6.4950000000e-04  5.0635000000e-03 -1.7724000000e-03
-
-JOB 6
-COORDS  6.3244900000e-01 -1.0783780000e+00  3.7665900000e-01  1.4407960000e+00 -1.5528990000e+00  1.8265600000e-01  5.8106100000e-01 -1.0725870000e+00  1.3324610000e+00 -6.8037100000e-01  1.1617250000e+00 -3.7369900000e-01 -1.0195200000e+00  1.1085480000e+00 -1.2672210000e+00 -2.5952100000e-01  3.1479700000e-01 -2.2594500000e-01
-ENERGY -1.526605600784e+02
-FORCES  3.6410000000e-04  4.9031000000e-03 -2.8130000000e-04 -3.7525000000e-03  1.2651000000e-03  2.6235000000e-03  1.1460000000e-03 -4.2380000000e-04 -5.3129000000e-03  6.5066000000e-03 -1.1982000000e-02  9.6240000000e-04  1.8572000000e-03 -8.9860000000e-04  2.3185000000e-03 -6.1215000000e-03  7.1361000000e-03 -3.1030000000e-04
-
-JOB 7
-COORDS  1.2698470000e+00  3.7307500000e-01 -4.3551700000e-01  5.2758200000e-01  2.6908100000e-01  1.5984800000e-01  2.0201690000e+00  5.2144300000e-01  1.4001500000e-01 -1.2985870000e+00 -3.1751500000e-01  3.5684200000e-01 -1.1740380000e+00 -1.0675540000e+00 -2.2467300000e-01 -9.3675500000e-01 -6.0188700000e-01  1.1961530000e+00
-ENERGY -1.526562853593e+02
-FORCES -9.3166000000e-03  4.6200000000e-04  3.4902000000e-03  9.6790000000e-03 -2.5398000000e-03  1.9245000000e-03 -4.8374000000e-03 -1.2929000000e-03 -3.5330000000e-04  1.5406000000e-03 -5.7296000000e-03 -2.8692000000e-03 -3.8350000000e-04  4.3039000000e-03  4.1427000000e-03  3.3178000000e-03  4.7964000000e-03 -6.3349000000e-03
-
-JOB 8
-COORDS  8.2505000000e-02  1.1698210000e+00  6.7035700000e-01  9.4104100000e-01  8.7709200000e-01  9.7606500000e-01 -4.1472900000e-01  1.3332050000e+00  1.4717900000e+00 -4.6734000000e-02 -1.1978940000e+00 -7.7038100000e-01 -9.0500100000e-01 -1.5489920000e+00 -5.3302400000e-01 -8.9424000000e-02 -2.7358300000e-01 -5.2531200000e-01
-ENERGY -1.526598353907e+02
-FORCES  6.1210000000e-04 -4.8533000000e-03  3.6195000000e-03 -5.2963000000e-03  1.2836000000e-03 -2.3046000000e-03  3.0343000000e-03 -8.5570000000e-04 -3.1572000000e-03 -4.2196000000e-03  1.0901600000e-02  6.7349000000e-03  2.3892000000e-03  8.7470000000e-04 -3.6070000000e-04  3.4802000000e-03 -7.3509000000e-03 -4.5318000000e-03
-
-JOB 9
-COORDS  1.1438300000e-01 -1.2064180000e+00 -5.9579800000e-01  1.0214590000e+00 -1.5111970000e+00 -5.7223800000e-01 -3.5335600000e-01 -1.7993120000e+00 -7.6400000000e-03 -8.2520000000e-02  1.2847470000e+00  5.7991300000e-01 -9.4058000000e-01  1.7067950000e+00  6.2282100000e-01 -2.5937200000e-01  4.1810100000e-01  2.1401700000e-01
-ENERGY -1.526600318438e+02
-FORCES  5.0605000000e-03 -1.4400000000e-04  2.4344000000e-03 -5.2010000000e-03 -8.1800000000e-05 -4.0700000000e-05  2.0078000000e-03  5.4879000000e-03 -2.0391000000e-03 -2.6780000000e-04 -9.9451000000e-03 -6.7332000000e-03  2.1278000000e-03 -3.3813000000e-03 -6.7280000000e-04 -3.7274000000e-03  8.0643000000e-03  7.0514000000e-03
-
-JOB 10
-COORDS  2.6693800000e-01  7.9848500000e-01  1.0224260000e+00  9.1616800000e-01  1.4814670000e+00  1.1905580000e+00 -2.8803400000e-01  7.9769900000e-01  1.8023210000e+00 -2.5549600000e-01 -8.1092600000e-01 -1.1314950000e+00 -2.0718900000e-01 -3.3795900000e-01 -3.0071200000e-01 -5.7485300000e-01 -1.6814250000e+00 -8.9385300000e-01
-ENERGY -1.526597389871e+02
-FORCES  1.6995000000e-03  4.6700000000e-04 -3.0889000000e-03 -3.9407000000e-03 -2.5720000000e-03  1.6575000000e-03  2.9715000000e-03 -4.2770000000e-04 -4.0221000000e-03  2.7334000000e-03  5.8343000000e-03  9.9106000000e-03 -4.2036000000e-03 -6.6617000000e-03 -5.3553000000e-03  7.3990000000e-04  3.3602000000e-03  8.9820000000e-04
-
-JOB 11
-COORDS  2.5677200000e-01  1.0593040000e+00 -9.1909700000e-01  9.9600000000e-02  5.1519500000e-01 -1.4742800000e-01 -6.1787100000e-01  1.2817780000e+00 -1.2380610000e+00 -2.3414800000e-01 -1.0022910000e+00  8.5458600000e-01  3.3227600000e-01 -1.7373880000e+00  6.2000700000e-01 -2.2276800000e-01 -9.8641600000e-01  1.8115860000e+00
-ENERGY -1.526612141516e+02
-FORCES -5.2661000000e-03 -9.1754000000e-03  8.1134000000e-03  2.3902000000e-03  7.8370000000e-03 -5.4565000000e-03  2.3323000000e-03 -7.0130000000e-04  1.1519000000e-03  3.1106000000e-03 -1.2965000000e-03 -1.4051000000e-03 -3.0283000000e-03  3.4436000000e-03  2.7463000000e-03  4.6140000000e-04 -1.0740000000e-04 -5.1500000000e-03
-
-JOB 12
-COORDS  6.6221700000e-01 -9.3738000000e-01  9.0464600000e-01  8.2459000000e-01 -2.1375200000e-01  1.5098150000e+00  1.6380200000e-01 -5.4397500000e-01  1.8837300000e-01 -5.9857300000e-01  8.3287400000e-01 -8.6716700000e-01 -1.3513730000e+00  1.2616500000e+00 -4.6013400000e-01 -6.3653900000e-01  1.1017910000e+00 -1.7850310000e+00
-ENERGY -1.526602985828e+02
-FORCES -3.7695000000e-03  9.8145000000e-03 -6.9825000000e-03 -8.1570000000e-04 -2.2535000000e-03 -6.7450000000e-04  2.0557000000e-03 -5.6756000000e-03  5.7500000000e-03 -6.2820000000e-04  9.3000000000e-05 -6.0120000000e-04  4.1321000000e-03 -1.8065000000e-03 -2.2429000000e-03 -9.7450000000e-04 -1.7180000000e-04  4.7511000000e-03
-
-JOB 13
-COORDS -3.3412300000e-01  1.2917960000e+00  3.6338700000e-01  4.6827600000e-01  1.1488310000e+00  8.6533200000e-01 -9.2715400000e-01  1.7251660000e+00  9.7717600000e-01  3.6683900000e-01 -1.3509430000e+00 -4.8009500000e-01  2.0950000000e-02 -4.8027900000e-01 -6.7640500000e-01 -1.2564000000e-02 -1.5738440000e+00  3.6996400000e-01
-ENERGY -1.526591744663e+02
-FORCES  1.3296000000e-03  2.9700000000e-05  3.5419000000e-03 -5.0781000000e-03  1.5490000000e-04 -2.3115000000e-03  3.5346000000e-03 -2.5088000000e-03 -1.6919000000e-03 -7.0049000000e-03  8.0528000000e-03  3.7045000000e-03  4.7092000000e-03 -5.3867000000e-03 -1.6054000000e-03  2.5096000000e-03 -3.4190000000e-04 -1.6376000000e-03
-
-JOB 14
-COORDS -1.1374610000e+00 -6.2610800000e-01  4.2959400000e-01 -2.0785920000e+00 -4.5408200000e-01  4.5975700000e-01 -8.9492200000e-01 -7.9422700000e-01  1.3401670000e+00  1.2448880000e+00  6.3228400000e-01 -4.8542300000e-01  6.2728400000e-01  1.2109400000e+00 -9.3258700000e-01  6.9803200000e-01 -5.6773000000e-02 -1.0809000000e-01
-ENERGY -1.526579754849e+02
-FORCES -1.6949000000e-03  2.4707000000e-03  1.5105000000e-03  4.1541000000e-03 -8.2910000000e-04  8.6070000000e-04  3.7260000000e-04  1.2176000000e-03 -5.7046000000e-03 -1.2896200000e-02 -3.0035000000e-03  5.9620000000e-04  3.1698000000e-03  1.8770000000e-04  1.4510000000e-04  6.8946000000e-03 -4.3500000000e-05  2.5920000000e-03
-
-JOB 15
-COORDS -1.1938800000e+00  5.3676100000e-01 -5.6550000000e-01 -4.9023300000e-01  5.5597000000e-01  8.3148000000e-02 -1.6755840000e+00  1.3512400000e+00 -4.2121800000e-01  1.1771250000e+00 -5.1425000000e-01  5.0566600000e-01  1.4330300000e+00 -1.2064320000e+00 -1.0394700000e-01  1.0597500000e+00 -9.6313300000e-01  1.3428980000e+00
-ENERGY -1.526598594094e+02
-FORCES  7.4518000000e-03 -1.0122000000e-03  3.8378000000e-03 -9.1389000000e-03  4.3638000000e-03 -1.5381000000e-03  3.0679000000e-03 -2.9399000000e-03  8.6330000000e-04 -1.2399000000e-03 -5.4353000000e-03 -3.4205000000e-03  2.5020000000e-04  2.2955000000e-03  4.2430000000e-03 -3.9110000000e-04  2.7281000000e-03 -3.9855000000e-03
-
-JOB 16
-COORDS -3.5268000000e-01 -1.2436440000e+00  5.7714500000e-01 -8.8138500000e-01 -1.9937860000e+00  3.0513400000e-01  4.7901700000e-01 -1.3567510000e+00  1.1701700000e-01  2.7926700000e-01  1.3190710000e+00 -5.7435800000e-01  8.6348400000e-01  1.7761820000e+00  3.0598000000e-02  5.6970800000e-01  4.0744800000e-01 -5.4573500000e-01
-ENERGY -1.526488867424e+02
-FORCES -4.3830000000e-04 -2.4157000000e-03 -3.3480000000e-03  2.4930000000e-03  3.8329000000e-03  1.5967000000e-03 -3.3332000000e-03  7.6492000000e-03 -3.5700000000e-04 -8.8250000000e-04 -5.4888000000e-03  6.2797000000e-03 -2.1003000000e-03 -2.1248000000e-03 -2.5545000000e-03  4.2613000000e-03 -1.4526000000e-03 -1.6169000000e-03
-
-JOB 17
-COORDS  2.9668900000e-01 -4.8405600000e-01  1.2563940000e+00  1.2434060000e+00 -4.1534100000e-01  1.3798320000e+00 -3.4520000000e-03 -1.0159330000e+00  1.9934520000e+00 -3.5327200000e-01  5.7578000000e-01 -1.3237150000e+00 -3.9347100000e-01 -2.2045300000e-01 -1.8534580000e+00  3.6721000000e-02  2.9404600000e-01 -4.9621000000e-01
-ENERGY -1.526594237418e+02
-FORCES -1.5768000000e-03 -1.6289000000e-03  2.5750000000e-03 -5.2731000000e-03 -1.8470000000e-04 -2.1293000000e-03  3.1990000000e-03  2.1070000000e-03 -2.5026000000e-03  7.1790000000e-04 -6.8212000000e-03  8.1311000000e-03  1.7350000000e-04  2.4127000000e-03  1.2848000000e-03  2.7596000000e-03  4.1151000000e-03 -7.3589000000e-03
-
-JOB 18
-COORDS -5.6765300000e-01 -6.9007500000e-01  1.1799660000e+00 -8.6267000000e-02 -5.7656600000e-01  1.9994870000e+00 -3.4949000000e-02 -2.3987100000e-01  5.2439400000e-01  4.4884000000e-01  6.6929600000e-01 -1.1614220000e+00  7.2970100000e-01 -1.2932600000e-01 -1.6081350000e+00  1.2120220000e+00  1.2458690000e+00 -1.1981350000e+00
-ENERGY -1.526601957024e+02
-FORCES  4.3405000000e-03  6.4922000000e-03 -5.3123000000e-03 -8.3320000000e-04  2.7970000000e-04 -3.3490000000e-03 -1.7293000000e-03 -7.9007000000e-03  7.6277000000e-03  2.8895000000e-03  5.3920000000e-04 -4.1888000000e-03 -1.0926000000e-03  4.1512000000e-03  4.6750000000e-03 -3.5749000000e-03 -3.5617000000e-03  5.4740000000e-04
-
-JOB 19
-COORDS -1.3983500000e-01  1.0312050000e+00  9.5377300000e-01 -8.3545000000e-02  1.8811700000e+00  5.1716900000e-01 -9.4017400000e-01  1.0823690000e+00  1.4763350000e+00  1.3424100000e-01 -1.0795650000e+00 -1.0094820000e+00  9.7004300000e-01 -1.5448840000e+00 -9.7563000000e-01  9.5110000000e-02 -5.9614200000e-01 -1.8425300000e-01
-ENERGY -1.526615572964e+02
-FORCES -2.6462000000e-03  4.2305000000e-03 -2.1302000000e-03 -8.0950000000e-04 -3.2344000000e-03  3.4200000000e-03  3.7720000000e-03 -4.2300000000e-05 -2.8335000000e-03  1.4212000000e-03  5.4341000000e-03  7.2997000000e-03 -2.5030000000e-03  2.1334000000e-03  4.3890000000e-04  7.6540000000e-04 -8.5213000000e-03 -6.1949000000e-03
-
-JOB 20
-COORDS -3.2549900000e-01  2.6304500000e-01  1.3644210000e+00 -1.0285950000e+00 -3.2429600000e-01  1.6417630000e+00 -7.3933000000e-01  1.1245400000e+00  1.3114670000e+00  3.3999700000e-01 -3.0510200000e-01 -1.4031370000e+00  1.1654850000e+00 -1.7233400000e-01 -1.8691560000e+00  4.8335600000e-01  9.0738000000e-02 -5.4349100000e-01
-ENERGY -1.526602902229e+02
-FORCES -6.3774000000e-03 -1.9090000000e-03  4.0920000000e-04  2.7061000000e-03  3.7778000000e-03  1.5110000000e-04  2.7370000000e-03 -4.1814000000e-03 -8.4810000000e-04  1.1630000000e-03  1.3776000000e-03  7.3542000000e-03 -2.7209000000e-03  1.7030000000e-04  2.9413000000e-03  2.4921000000e-03  7.6470000000e-04 -1.0007600000e-02
-
-JOB 21
-COORDS -5.3461900000e-01 -1.2836380000e+00  4.1396300000e-01 -1.2083840000e+00 -1.7690670000e+00  8.9002100000e-01 -7.7679600000e-01 -3.6438500000e-01  5.2602200000e-01  5.9595500000e-01  1.2758520000e+00 -3.8853200000e-01  6.6595400000e-01  4.0173700000e-01 -7.7227100000e-01  3.9899900000e-01  1.8483560000e+00 -1.1299360000e+00
-ENERGY -1.526601211914e+02
-FORCES -2.5863000000e-03  3.2405000000e-03  3.1607000000e-03  2.0127000000e-03  3.0330000000e-03 -1.3973000000e-03  4.3670000000e-04 -7.6691000000e-03 -2.1456000000e-03  2.2017000000e-03 -2.2015000000e-03 -5.2580000000e-03 -2.6341000000e-03  6.4429000000e-03  2.6347000000e-03  5.6930000000e-04 -2.8459000000e-03  3.0055000000e-03
-
-JOB 22
-COORDS  1.7595400000e-01  9.9579600000e-01  1.1380440000e+00  4.8842000000e-01  5.1605800000e-01  3.7094000000e-01 -6.8564800000e-01  6.2105100000e-01  1.3209070000e+00 -1.9085500000e-01 -8.9269900000e-01 -1.0756940000e+00 -3.7142100000e-01 -1.8305380000e+00 -1.0117810000e+00  6.3016900000e-01 -8.3916800000e-01 -1.5648630000e+00
-ENERGY -1.526579730158e+02
-FORCES -5.2138000000e-03 -8.4166000000e-03 -7.5748000000e-03  4.8778000000e-03  4.8577000000e-03  2.4932000000e-03  1.9638000000e-03  2.1416000000e-03  2.1222000000e-03  1.1345000000e-03 -4.1287000000e-03 -1.1823000000e-03  7.2520000000e-04  4.5686000000e-03 -7.0610000000e-04 -3.4874000000e-03  9.7740000000e-04  4.8478000000e-03
-
-JOB 23
-COORDS  8.2350000000e-02 -3.4289300000e-01 -1.3660690000e+00  3.2118800000e-01  4.0142300000e-01 -1.9185030000e+00  4.4561200000e-01 -1.1040540000e+00 -1.8187350000e+00 -1.4558400000e-01  3.3848800000e-01  1.4757190000e+00 -2.1854600000e-01 -2.7235200000e-01  7.4238200000e-01  4.8184800000e-01  9.9716700000e-01  1.1778880000e+00
-ENERGY -1.526591585491e+02
-FORCES  1.7092000000e-03  1.7415000000e-03 -3.3492000000e-03 -2.5050000000e-04 -3.8342000000e-03  2.2736000000e-03 -1.6005000000e-03  3.8421000000e-03  2.3677000000e-03  2.7143000000e-03 -1.0994000000e-03 -1.1032400000e-02 -9.7980000000e-04 -2.9620000000e-04  7.6367000000e-03 -1.5927000000e-03 -3.5370000000e-04  2.1036000000e-03
-
-JOB 24
-COORDS  1.2364790000e+00  7.6906500000e-01 -1.5240700000e-01  1.6809160000e+00  1.4737610000e+00  3.1888000000e-01  4.0564600000e-01  1.1537840000e+00 -4.3158400000e-01 -1.2509200000e+00 -7.9998900000e-01  8.6211000000e-02 -5.4949600000e-01 -1.4475740000e+00  1.6428000000e-02 -1.3436930000e+00 -6.4707900000e-01  1.0265540000e+00
-ENERGY -1.526572427227e+02
-FORCES -5.1260000000e-03  2.6577000000e-03 -6.6380000000e-04 -2.8518000000e-03 -3.0869000000e-03 -1.1128000000e-03  6.1751000000e-03  1.4317000000e-03  9.9200000000e-04  7.2327000000e-03 -1.8021000000e-03  4.2219000000e-03 -4.8524000000e-03  9.2010000000e-04  1.3980000000e-04 -5.7760000000e-04 -1.2050000000e-04 -3.5771000000e-03
-
-JOB 25
-COORDS -8.9746900000e-01 -1.1648030000e+00 -8.5655000000e-02 -3.3486900000e-01 -1.2368770000e+00 -8.5670500000e-01 -5.9281000000e-01 -1.8584330000e+00  4.9940300000e-01  8.7592700000e-01  1.2572120000e+00  1.3115300000e-01  1.1590520000e+00  8.5882300000e-01 -6.9186400000e-01  3.6184000000e-02  8.3994000000e-01  3.2337300000e-01
-ENERGY -1.526573112480e+02
-FORCES  4.2879000000e-03 -4.8795000000e-03 -2.8350000000e-04 -1.5206000000e-03  2.6305000000e-03  3.7475000000e-03 -1.4451000000e-03  3.2201000000e-03 -3.1626000000e-03 -6.0937000000e-03 -7.0326000000e-03 -1.8658000000e-03 -5.9370000000e-04  2.2880000000e-04  2.0165000000e-03  5.3653000000e-03  5.8326000000e-03 -4.5220000000e-04
-
-JOB 26
-COORDS -9.4343800000e-01 -8.8401200000e-01  7.4322700000e-01 -1.3235550000e+00 -1.2650400000e-01  2.9834100000e-01 -1.1475730000e+00 -1.6248690000e+00  1.7253400000e-01  9.8882800000e-01  9.4031500000e-01 -7.3073300000e-01  1.6078190000e+00  3.1201200000e-01 -3.5882200000e-01  1.3817000000e-01  6.7466800000e-01 -3.8138300000e-01
-ENERGY -1.526525906193e+02
-FORCES -3.7901000000e-03 -1.6311000000e-03 -4.3712000000e-03  9.3001000000e-03 -3.2320000000e-04 -5.8290000000e-04  1.3964000000e-03  3.8082000000e-03  3.1274000000e-03 -1.0621000000e-03 -8.3692000000e-03  7.0818000000e-03 -1.6160000000e-04  3.2658000000e-03 -2.9818000000e-03 -5.6828000000e-03  3.2496000000e-03 -2.2732000000e-03
-
-JOB 27
-COORDS  9.6733000000e-02  1.4330960000e+00 -2.5129500000e-01 -2.5587100000e-01  2.0292730000e+00  4.0936800000e-01  8.6876200000e-01  1.8837000000e+00 -5.9358000000e-01 -1.3228500000e-01 -1.5460950000e+00  1.9872000000e-01  1.2046100000e-01 -1.4659850000e+00  1.1184660000e+00 -2.0016300000e-01 -6.4295300000e-01 -1.1105100000e-01
-ENERGY -1.526608557396e+02
-FORCES  2.2518000000e-03  4.2821000000e-03  7.2230000000e-04  2.3889000000e-03 -2.6366000000e-03 -2.8686000000e-03 -3.8684000000e-03 -1.0623000000e-03  2.2432000000e-03  1.5967000000e-03  9.2894000000e-03  1.1822000000e-03 -9.5070000000e-04 -8.9940000000e-04 -2.2828000000e-03 -1.4183000000e-03 -8.9732000000e-03  1.0038000000e-03
-
-JOB 28
-COORDS -3.1449000000e-02 -1.3229300000e+00 -8.3566900000e-01 -8.8126300000e-01 -1.0740530000e+00 -4.7220000000e-01  4.7712800000e-01 -1.6144620000e+00 -7.8972000000e-02 -4.2720000000e-03  1.3166640000e+00  7.9797500000e-01  8.4834300000e-01  9.4937500000e-01  1.0311670000e+00  1.6476300000e-01  1.8349630000e+00  1.1193000000e-02
-ENERGY -1.526552787232e+02
-FORCES -2.8759000000e-03  3.5557000000e-03  7.2281000000e-03  2.4243000000e-03 -3.4769000000e-03 -3.0459000000e-03 -4.7650000000e-04  1.0930000000e-03 -2.8504000000e-03  5.3359000000e-03 -9.8350000000e-04 -5.6217000000e-03 -3.3999000000e-03  6.9440000000e-04  3.0880000000e-04 -1.0079000000e-03 -8.8270000000e-04  3.9812000000e-03
-
-JOB 29
-COORDS  6.3364100000e-01 -4.2090500000e-01 -1.3869960000e+00 -1.9842200000e-01 -5.5935500000e-01 -1.8394710000e+00  4.0330400000e-01 -4.1368000000e-01 -4.5795100000e-01 -5.0922400000e-01  4.2806800000e-01  1.3433360000e+00 -9.8675400000e-01 -2.3634500000e-01  1.8400770000e+00 -1.1661430000e+00  1.0938920000e+00  1.1399460000e+00
-ENERGY -1.526598775869e+02
-FORCES -5.1653000000e-03  1.4087000000e-03  6.5988000000e-03  2.4889000000e-03  6.1350000000e-04  1.3011000000e-03  3.0440000000e-03 -3.8246000000e-03 -8.2423000000e-03 -5.1056000000e-03  2.8719000000e-03  2.6808000000e-03  2.2528000000e-03  2.8482000000e-03 -3.6149000000e-03  2.4852000000e-03 -3.9177000000e-03  1.2765000000e-03
-
-JOB 30
-COORDS  1.0130100000e-01 -7.6319100000e-01 -1.3711290000e+00  3.3384400000e-01 -1.6320100000e-01 -2.0797670000e+00 -1.4165400000e-01 -1.9162900000e-01 -6.4276000000e-01 -7.7530000000e-02  6.4943700000e-01  1.3193870000e+00  3.4849200000e-01  1.4459410000e+00  1.6361190000e+00 -9.0102500000e-01  6.0815500000e-01  1.8055800000e+00
-ENERGY -1.526603294202e+02
-FORCES  3.6060000000e-04  5.9370000000e-03  4.9529000000e-03 -6.2050000000e-04 -1.6622000000e-03  2.5453000000e-03 -1.0424000000e-03 -4.4900000000e-03 -8.7967000000e-03 -8.9800000000e-05  3.0307000000e-03  4.8941000000e-03 -2.6074000000e-03 -3.4848000000e-03 -9.2380000000e-04  3.9994000000e-03  6.6930000000e-04 -2.6718000000e-03
-
-JOB 31
-COORDS  1.3343790000e+00  6.6224500000e-01  4.2411000000e-02  1.7833100000e+00 -1.5789100000e-01 -1.6269800000e-01  1.9602040000e+00  1.1513010000e+00  5.7663800000e-01 -1.4367490000e+00 -6.3280400000e-01 -9.4090000000e-03 -1.6881680000e+00 -9.6870700000e-01 -8.6975100000e-01 -4.9755200000e-01 -4.6333400000e-01 -8.3033000000e-02
-ENERGY -1.526575583445e+02
-FORCES  5.3327000000e-03  2.0437000000e-03  3.3894000000e-03 -5.4333000000e-03  3.0025000000e-03  9.1150000000e-04 -1.6265000000e-03 -2.4972000000e-03 -3.2105000000e-03  5.0662000000e-03  3.3960000000e-03 -2.4579000000e-03  1.6785000000e-03  1.0558000000e-03  3.0442000000e-03 -5.0177000000e-03 -7.0008000000e-03 -1.6767000000e-03
-
-JOB 32
-COORDS  5.2721400000e-01 -1.3431200000e+00 -7.0397500000e-01 -3.9922900000e-01 -1.2411180000e+00 -4.8595800000e-01  9.4923600000e-01 -5.7205500000e-01 -3.2504600000e-01 -5.0991500000e-01  1.2258880000e+00  6.6939600000e-01 -5.3113000000e-02  1.7812850000e+00  3.7654000000e-02 -7.8451500000e-01  1.8263820000e+00  1.3623850000e+00
-ENERGY -1.526580121129e+02
-FORCES -4.2880000000e-03  5.9128000000e-03  5.9099000000e-03  2.9044000000e-03 -3.1051000000e-03 -2.7674000000e-03  1.5361000000e-03 -2.2962000000e-03 -4.0152000000e-03 -4.6070000000e-04  5.6927000000e-03  1.1157000000e-03 -9.2120000000e-04 -3.8640000000e-03  3.2941000000e-03  1.2293000000e-03 -2.3401000000e-03 -3.5371000000e-03
-
-JOB 33
-COORDS  5.2863800000e-01 -9.3051700000e-01  1.1857270000e+00  1.4826590000e+00 -9.6068900000e-01  1.2575940000e+00  3.6440600000e-01 -4.7001000000e-01  3.6280900000e-01 -5.9559400000e-01  9.2132600000e-01 -1.0852790000e+00  9.3840000000e-02  1.3798940000e+00 -1.5655160000e+00 -8.3659900000e-01  1.8883000000e-01 -1.6523750000e+00
-ENERGY -1.526587421412e+02
-FORCES  5.1480000000e-04  5.2097000000e-03 -4.5249000000e-03 -3.3614000000e-03  4.7880000000e-04 -8.6830000000e-04  3.9228000000e-03 -7.8098000000e-03  4.7170000000e-03 -1.3756000000e-03  2.4800000000e-03 -6.5779000000e-03 -2.7647000000e-03 -3.2646000000e-03  2.8757000000e-03  3.0641000000e-03  2.9060000000e-03  4.3785000000e-03
-
-JOB 34
-COORDS -4.0904000000e-01 -3.0490800000e-01 -1.4215930000e+00  6.3100000000e-04 -3.6841200000e-01 -2.2843610000e+00 -8.7713900000e-01 -1.1332200000e+00 -1.3166400000e+00  4.5891800000e-01  3.5256400000e-01  1.5176240000e+00  5.4389400000e-01  1.7989100000e-01  5.7997000000e-01 -4.2559000000e-01  7.0452200000e-01  1.6176390000e+00
-ENERGY -1.526605702377e+02
-FORCES -1.2898000000e-03 -4.0266000000e-03 -4.7583000000e-03 -2.1011000000e-03 -2.4890000000e-04  3.9820000000e-03  2.3336000000e-03  4.1293000000e-03 -6.9670000000e-04 -4.1371000000e-03  7.9990000000e-04 -7.6254000000e-03  2.5296000000e-03  7.4940000000e-04  8.1188000000e-03  2.6649000000e-03 -1.4031000000e-03  9.7960000000e-04
-
-JOB 35
-COORDS -3.2661700000e-01 -1.1357550000e+00 -1.1298880000e+00 -4.3992100000e-01 -4.7093400000e-01 -1.8091580000e+00  3.3197000000e-02 -6.5702100000e-01 -3.8317600000e-01  3.5021900000e-01  1.0456120000e+00  1.0706390000e+00  1.2633500000e-01  5.7452900000e-01  1.8732520000e+00 -7.7570000000e-02  1.8967240000e+00  1.1646490000e+00
-ENERGY -1.526597987262e+02
-FORCES  2.1215000000e-03  8.2444000000e-03  2.5603000000e-03 -1.7140000000e-04 -2.6819000000e-03  1.2670000000e-03 -1.8103000000e-03 -7.3768000000e-03 -3.6778000000e-03 -3.1573000000e-03  3.9013000000e-03  4.3271000000e-03  8.9620000000e-04  1.6025000000e-03 -4.7644000000e-03  2.1212000000e-03 -3.6894000000e-03  2.8780000000e-04
-
-JOB 36
-COORDS -1.2078490000e+00  6.2164500000e-01  7.8137800000e-01 -6.3571100000e-01  1.2411050000e+00  1.2343240000e+00 -1.8052220000e+00  1.1724790000e+00  2.7545400000e-01  1.2481640000e+00 -6.4884500000e-01 -8.2400700000e-01  1.3304390000e+00 -1.5513570000e+00 -5.1589200000e-01  4.7455200000e-01 -3.1083200000e-01 -3.7289400000e-01
-ENERGY -1.526610827485e+02
-FORCES -3.3380000000e-03  6.4856000000e-03  1.4759000000e-03 -2.2422000000e-03 -3.7283000000e-03 -3.2972000000e-03  3.0886000000e-03 -2.3214000000e-03  2.7243000000e-03 -6.1688000000e-03 -1.3026000000e-03  4.1735000000e-03 -3.4400000000e-05  3.0427000000e-03 -1.0088000000e-03  8.6947000000e-03 -2.1760000000e-03 -4.0677000000e-03
-
-JOB 37
-COORDS -5.0947300000e-01  9.0543700000e-01  1.1316320000e+00 -5.0379600000e-01  4.5613700000e-01  1.9768130000e+00 -1.0083440000e+00  1.7069980000e+00  1.2893000000e+00  5.5152800000e-01 -9.6094000000e-01 -1.2412050000e+00 -5.0668000000e-02 -2.1925600000e-01 -1.1820690000e+00  8.7894200000e-01 -1.0759510000e+00 -3.4912600000e-01
-ENERGY -1.526580922294e+02
-FORCES -2.3338000000e-03  1.9642000000e-03  5.0150000000e-03  4.6640000000e-04  1.9099000000e-03 -3.8857000000e-03  2.0190000000e-03 -3.7370000000e-03 -6.6870000000e-04 -2.3756000000e-03  5.4929000000e-03  6.8947000000e-03  1.9499000000e-03 -3.4636000000e-03 -4.3219000000e-03  2.7410000000e-04 -2.1665000000e-03 -3.0335000000e-03
-
-JOB 38
-COORDS  2.2585700000e-01 -9.9016400000e-01 -1.2893060000e+00  1.1714520000e+00 -1.0931700000e+00 -1.1821990000e+00 -3.6435000000e-02 -4.1801400000e-01 -5.6814000000e-01 -2.4229600000e-01  9.6996500000e-01  1.1797560000e+00 -9.2693400000e-01  3.6406900000e-01  1.4632940000e+00  1.6192000000e-02  1.4305840000e+00  1.9780330000e+00
-ENERGY -1.526587572173e+02
-FORCES  3.7236000000e-03  5.1203000000e-03  5.0605000000e-03 -2.9985000000e-03 -4.8050000000e-04 -1.0518000000e-03 -2.2700000000e-03 -6.3728000000e-03 -4.0157000000e-03 -9.2870000000e-04  1.8905000000e-03  6.2560000000e-03  4.4207000000e-03  2.0171000000e-03 -3.3029000000e-03 -1.9471000000e-03 -2.1746000000e-03 -2.9461000000e-03
-
-JOB 39
-COORDS -1.4697250000e+00 -5.0536500000e-01 -3.8264400000e-01 -1.5162050000e+00 -5.4070100000e-01 -1.3380620000e+00 -1.0285160000e+00 -1.3175000000e+00 -1.3363800000e-01  1.4923950000e+00  5.8330200000e-01  4.5235600000e-01  1.1287310000e+00 -2.7145100000e-01  6.8339200000e-01  1.0496060000e+00  8.2017800000e-01 -3.6254200000e-01
-ENERGY -1.526541182336e+02
-FORCES -8.6900000000e-04 -4.3422000000e-03 -2.7676000000e-03  1.3456000000e-03  9.1940000000e-04  4.5973000000e-03  3.2140000000e-04  4.8688000000e-03 -4.9910000000e-04 -7.8042000000e-03 -1.8522000000e-03 -2.4578000000e-03  2.5515000000e-03  7.2350000000e-04 -4.5060000000e-04  4.4547000000e-03 -3.1740000000e-04  1.5778000000e-03
-
-JOB 40
-COORDS  1.3841700000e-01 -2.0891000000e-02  1.6889920000e+00  1.1262000000e-02  7.9385700000e-01  1.2029370000e+00 -1.8982400000e-01 -7.0333300000e-01  1.1035330000e+00 -3.8759000000e-02  2.6180000000e-02 -1.6382410000e+00 -4.3483200000e-01 -5.8489000000e-01 -1.0169910000e+00 -7.8259000000e-01  4.6958500000e-01 -2.0460890000e+00
-ENERGY -1.526522081010e+02
-FORCES  4.6100000000e-05  1.8776000000e-03 -5.8210000000e-03 -8.3710000000e-04 -3.5044000000e-03  3.7758000000e-03 -2.3630000000e-04  1.8693000000e-03 -3.9460000000e-04 -4.6909000000e-03 -1.5506000000e-03 -1.2220000000e-03  2.0148000000e-03  2.9793000000e-03  1.0756000000e-03  3.7032000000e-03 -1.6712000000e-03  2.5862000000e-03
-
-JOB 41
-COORDS  1.4984640000e+00 -6.1521300000e-01  3.0130600000e-01  7.7986200000e-01 -1.2470990000e+00  3.2502200000e-01  1.7518860000e+00 -5.7448400000e-01 -6.2083900000e-01 -1.5234440000e+00  6.6462400000e-01 -2.9113600000e-01 -6.0036800000e-01  8.1769300000e-01 -4.9295800000e-01 -1.5163550000e+00  2.7230700000e-01  5.8194500000e-01
-ENERGY -1.526566533437e+02
-FORCES -5.6300000000e-05 -5.0605000000e-03 -3.6846000000e-03  2.5345000000e-03  4.2810000000e-03  6.2340000000e-04 -2.1117000000e-03  1.0971000000e-03  4.2831000000e-03  5.8418000000e-03  5.5920000000e-04  4.5462000000e-03 -5.2580000000e-03 -8.1210000000e-04 -2.0021000000e-03 -9.5030000000e-04 -6.4700000000e-05 -3.7659000000e-03
-
-JOB 42
-COORDS  1.6071890000e+00  3.6015000000e-02  4.1459700000e-01  7.0620500000e-01  2.7426600000e-01  1.9620100000e-01  1.8639210000e+00  6.6275000000e-01  1.0910020000e+00 -1.5346680000e+00 -1.4068300000e-01 -4.0079700000e-01 -2.1197110000e+00  5.3990200000e-01 -6.7989000000e-02 -1.4934710000e+00  1.8333000000e-02 -1.3437970000e+00
-ENERGY -1.526589680232e+02
-FORCES -5.8549000000e-03  1.6939000000e-03  1.3318000000e-03  9.1875000000e-03  1.8569000000e-03  1.0989000000e-03 -1.3587000000e-03 -2.0087000000e-03 -2.4375000000e-03 -6.1878000000e-03  1.2399000000e-03 -3.7199000000e-03  3.7080000000e-03 -2.7919000000e-03 -1.4782000000e-03  5.0600000000e-04  9.8000000000e-06  5.2049000000e-03
-
-JOB 43
-COORDS -6.6335600000e-01  1.4348420000e+00  4.7157200000e-01 -1.4874600000e+00  1.4870520000e+00 -1.2535000000e-02 -8.1538000000e-01  7.5883200000e-01  1.1319740000e+00  7.3376200000e-01 -1.3925440000e+00 -5.5135400000e-01  1.3876900000e-01 -1.9969380000e+00 -1.0759300000e-01  1.1175650000e+00 -8.7212000000e-01  1.5439900000e-01
-ENERGY -1.526530370883e+02
-FORCES -4.6169000000e-03 -3.6369000000e-03 -1.8785000000e-03  2.8558000000e-03  4.2040000000e-04  2.7957000000e-03  1.9446000000e-03  2.0278000000e-03 -2.0392000000e-03 -4.1730000000e-04  2.2045000000e-03  4.0943000000e-03  1.7211000000e-03  3.1453000000e-03 -1.3990000000e-03 -1.4874000000e-03 -4.1611000000e-03 -1.5733000000e-03
-
-JOB 44
-COORDS -1.0061020000e+00 -1.2190240000e+00  3.3925800000e-01 -4.2601100000e-01 -1.9143930000e+00  6.4940000000e-01 -1.8815780000e+00 -1.5005970000e+00  6.0476000000e-01  1.0070200000e+00  1.3283510000e+00 -3.9779100000e-01  8.5505300000e-01  4.4441000000e-01 -7.3213800000e-01  1.4991460000e+00  1.1970770000e+00  4.1264700000e-01
-ENERGY -1.526553388620e+02
-FORCES -3.6605000000e-03 -3.6101000000e-03  2.9412000000e-03 -1.4552000000e-03  3.9111000000e-03 -1.8919000000e-03  3.9864000000e-03  7.2090000000e-04 -8.1450000000e-04 -1.9833000000e-03 -5.8891000000e-03  2.8121000000e-03  4.0619000000e-03  4.1518000000e-03 -5.2000000000e-06 -9.4940000000e-04  7.1550000000e-04 -3.0417000000e-03
-
-JOB 45
-COORDS  4.1926600000e-01 -1.6170770000e+00 -5.6765600000e-01  6.0664900000e-01 -8.0129700000e-01 -1.0320080000e+00  3.1606300000e-01 -1.3543410000e+00  3.4697600000e-01 -4.4684500000e-01  1.4911160000e+00  5.4135000000e-01 -8.6851200000e-01  2.2791480000e+00  1.9866400000e-01  3.8500600000e-01  1.8005970000e+00  8.9978700000e-01
-ENERGY -1.526568994502e+02
-FORCES -2.1062000000e-03  7.1234000000e-03  2.5661000000e-03  1.2778000000e-03 -4.4721000000e-03  1.2100000000e-04  2.1112000000e-03 -3.1012000000e-03 -2.6909000000e-03 -2.1040000000e-04  6.1820000000e-03  5.7930000000e-04  2.3207000000e-03 -3.2412000000e-03  1.5282000000e-03 -3.3930000000e-03 -2.4909000000e-03 -2.1036000000e-03
-
-JOB 46
-COORDS -1.3451630000e+00  1.3023000000e-02 -9.6999900000e-01 -1.8118790000e+00 -4.0810200000e-01 -1.6918450000e+00 -1.1644580000e+00  8.9857700000e-01 -1.2852340000e+00  1.3956630000e+00  1.6670000000e-02  1.0313070000e+00  1.3795340000e+00 -6.4098800000e-01  3.3599600000e-01  8.0840600000e-01 -3.2986500000e-01  1.7030770000e+00
-ENERGY -1.526562029811e+02
-FORCES -1.3076000000e-03  3.7772000000e-03 -3.9068000000e-03  2.4798000000e-03  1.4728000000e-03  3.2042000000e-03 -1.6342000000e-03 -4.1145000000e-03  4.2670000000e-04 -5.4217000000e-03 -4.4839000000e-03 -1.5863000000e-03  2.5655000000e-03  2.0731000000e-03  3.2405000000e-03  3.3182000000e-03  1.2753000000e-03 -1.3782000000e-03
-
-JOB 47
-COORDS -8.7075200000e-01  1.4137760000e+00 -6.7317300000e-01 -4.2365000000e-02  1.0278230000e+00 -3.8848400000e-01 -1.5401150000e+00  9.2695200000e-01 -1.9235300000e-01  8.7825400000e-01 -1.3058240000e+00  6.2247500000e-01  6.2730000000e-03 -1.6199240000e+00  8.6168800000e-01  1.4064790000e+00 -2.1002630000e+00  5.4452600000e-01
-ENERGY -1.526571161935e+02
-FORCES  2.5731000000e-03 -4.6228000000e-03  3.3347000000e-03 -5.1375000000e-03  4.2121000000e-03 -1.8523000000e-03  1.8550000000e-03  1.4446000000e-03 -1.6445000000e-03  6.0400000000e-05 -6.5302000000e-03  7.0530000000e-04  3.2899000000e-03  2.4295000000e-03 -1.2700000000e-03 -2.6409000000e-03  3.0668000000e-03  7.2690000000e-04
-
-JOB 48
-COORDS -7.7703100000e-01  1.4367610000e+00  6.0937200000e-01 -8.2530000000e-01  1.7755740000e+00  1.5033010000e+00  9.6111000000e-02  1.0496270000e+00  5.4627500000e-01  7.5646100000e-01 -1.4655100000e+00 -7.0443600000e-01  1.1755300000e+00 -9.1324100000e-01 -4.4427000000e-02 -1.7550400000e-01 -1.4321450000e+00 -4.8865800000e-01
-ENERGY -1.526534370233e+02
-FORCES  3.2323000000e-03  1.9121000000e-03  3.2336000000e-03  4.2060000000e-04 -1.8399000000e-03 -4.1110000000e-03 -3.2836000000e-03 -8.4550000000e-04  1.1063000000e-03 -3.3632000000e-03  1.1533000000e-03  3.1514000000e-03 -2.3514000000e-03  3.5170000000e-04 -2.4375000000e-03  5.3454000000e-03 -7.3170000000e-04 -9.4280000000e-04
-
-JOB 49
-COORDS -1.8354000000e-01 -1.0741400000e+00 -1.3961600000e+00 -8.8489600000e-01 -1.7245810000e+00 -1.4316290000e+00 -5.0974400000e-01 -4.0185500000e-01 -7.9795000000e-01  1.9669600000e-01  1.0476500000e+00  1.3239860000e+00  1.1490030000e+00  9.7536500000e-01  1.3881650000e+00 -5.4332000000e-02  1.5853060000e+00  2.0750810000e+00
-ENERGY -1.526585544561e+02
-FORCES -4.0072000000e-03  1.3932000000e-03  3.8589000000e-03  2.4803000000e-03  2.3367000000e-03  3.5600000000e-05  6.3150000000e-04 -4.8189000000e-03 -5.6675000000e-03  3.7649000000e-03  2.4363000000e-03  4.3438000000e-03 -4.3360000000e-03  9.3700000000e-04  3.3710000000e-04  1.4665000000e-03 -2.2843000000e-03 -2.9079000000e-03
-
-JOB 50
-COORDS  9.6248300000e-01  1.5215010000e+00 -2.3855500000e-01  1.6549770000e+00  1.2262550000e+00 -8.2975300000e-01  1.9049000000e-01  1.6085490000e+00 -7.9773400000e-01 -1.0262030000e+00 -1.5065660000e+00  2.8153400000e-01 -6.4455400000e-01 -1.8434630000e+00  1.0921360000e+00 -2.7494100000e-01 -1.2109080000e+00 -2.3268700000e-01
-ENERGY -1.526553644165e+02
-FORCES -7.4420000000e-04  2.0018000000e-03 -4.4648000000e-03 -3.5545000000e-03 -8.8500000000e-05  2.8811000000e-03  4.1964000000e-03 -1.1845000000e-03  2.0820000000e-03  5.7417000000e-03  1.3245000000e-03  2.5546000000e-03 -1.8182000000e-03  4.7010000000e-04 -3.2819000000e-03 -3.8211000000e-03 -2.5234000000e-03  2.2890000000e-04
-
-JOB 51
-COORDS  1.5916930000e+00  1.9999700000e-01  8.2445500000e-01  8.0229300000e-01 -1.5680900000e-01  1.2316020000e+00  2.3022250000e+00 -3.4814500000e-01  1.1574970000e+00 -1.5198590000e+00 -1.7466200000e-01 -8.4254400000e-01 -2.0717040000e+00  4.8311100000e-01 -4.1942100000e-01 -2.0249520000e+00 -4.5721100000e-01 -1.6049610000e+00
-ENERGY -1.526543793594e+02
-FORCES -1.9009000000e-03 -4.4298000000e-03  1.6990000000e-03  4.3100000000e-03  2.2255000000e-03  5.2410000000e-04 -2.6926000000e-03  2.1805000000e-03 -1.4433000000e-03 -4.0700000000e-03  2.0380000000e-03 -2.9393000000e-03  2.4302000000e-03 -3.2472000000e-03 -1.0725000000e-03  1.9233000000e-03  1.2329000000e-03  3.2321000000e-03
-
-JOB 52
-COORDS -1.7143080000e+00  4.1217800000e-01 -6.1866700000e-01 -1.3459850000e+00  1.2333500000e+00 -9.4462300000e-01 -9.5451000000e-01 -9.4636000000e-02 -3.3217200000e-01  1.6970590000e+00 -3.9278900000e-01  6.0193200000e-01  1.2092560000e+00 -3.2871600000e-01  1.4230130000e+00  1.3479420000e+00 -1.1755990000e+00  1.7583700000e-01
-ENERGY -1.526554467828e+02
-FORCES  6.0612000000e-03  2.4891000000e-03 -5.9050000000e-04 -2.4829000000e-03 -3.1149000000e-03  1.1159000000e-03 -4.4233000000e-03 -2.3610000000e-04 -5.2560000000e-04 -2.0630000000e-04 -4.0741000000e-03  3.4772000000e-03  1.4304000000e-03 -1.3470000000e-04 -4.9300000000e-03 -3.7900000000e-04  5.0707000000e-03  1.4530000000e-03
-
-JOB 53
-COORDS -9.8476900000e-01 -1.5072350000e+00 -5.7954700000e-01 -4.4386700000e-01 -2.2173790000e+00 -9.2502100000e-01 -1.2082430000e+00 -9.8062300000e-01 -1.3469910000e+00  9.9075800000e-01  1.4780860000e+00  6.0460900000e-01  1.2474520000e+00  1.7261440000e+00  1.4927570000e+00  2.3539700000e-01  2.0326580000e+00  4.0938800000e-01
-ENERGY -1.526531547860e+02
-FORCES  2.9694000000e-03  3.9200000000e-05 -4.2623000000e-03 -2.6012000000e-03  2.3864000000e-03  1.2887000000e-03  1.1830000000e-04 -2.0369000000e-03  2.9709000000e-03 -2.9817000000e-03  2.1625000000e-03  3.4170000000e-03 -7.5660000000e-04 -8.2380000000e-04 -3.6498000000e-03  3.2518000000e-03 -1.7275000000e-03  2.3550000000e-04
-
-JOB 54
-COORDS -1.4582120000e+00 -1.0704510000e+00 -3.7100800000e-01 -1.7044300000e+00 -1.8721860000e+00 -8.3234300000e-01 -2.1474290000e+00 -9.4792100000e-01  2.8183000000e-01  1.5025110000e+00  1.0415860000e+00  3.7063500000e-01  1.9775490000e+00  1.6556970000e+00  9.3049100000e-01  1.2106830000e+00  1.5703020000e+00 -3.7201400000e-01
-ENERGY -1.526531806770e+02
-FORCES -3.2900000000e-03 -3.0040000000e-03  1.7077000000e-03  1.0623000000e-03  3.4431000000e-03  1.7647000000e-03  2.4488000000e-03 -4.9300000000e-04 -2.9783000000e-03 -1.3310000000e-04  4.1978000000e-03 -1.6748000000e-03 -2.1296000000e-03 -2.7499000000e-03 -2.0526000000e-03  2.0417000000e-03 -1.3941000000e-03  3.2332000000e-03
-
-JOB 55
-COORDS  1.6995590000e+00  7.2056700000e-01 -5.6906200000e-01  2.2589170000e+00  1.2068560000e+00 -1.1747640000e+00  1.1145180000e+00  2.1658200000e-01 -1.1347100000e+00 -1.6874460000e+00 -6.6166400000e-01  5.9479500000e-01 -1.3291860000e+00 -1.5150230000e+00  3.5054000000e-01 -2.2453480000e+00 -8.4317600000e-01  1.3511220000e+00
-ENERGY -1.526537963071e+02
-FORCES -1.4366000000e-03  3.1480000000e-04 -4.5869000000e-03 -2.2278000000e-03 -1.9326000000e-03  2.5914000000e-03  3.6217000000e-03  1.1824000000e-03  1.6847000000e-03 -7.0590000000e-04 -3.8959000000e-03  3.4908000000e-03 -1.3115000000e-03  3.7562000000e-03  4.8800000000e-05  2.0602000000e-03  5.7510000000e-04 -3.2288000000e-03
-
-JOB 56
-COORDS  6.3038600000e-01 -1.7522830000e+00 -5.9279600000e-01  3.2634300000e-01 -2.0158970000e+00  2.7570700000e-01 -5.8361000000e-02 -2.0479440000e+00 -1.1881480000e+00 -5.1784600000e-01  1.7792620000e+00  5.6998600000e-01 -1.0688720000e+00  2.4425940000e+00  9.8543000000e-01 -1.1307620000e+00  1.0999360000e+00  2.8877100000e-01
-ENERGY -1.526534601313e+02
-FORCES -2.6692000000e-03 -2.8013000000e-03  1.2834000000e-03  6.2370000000e-04  1.1429000000e-03 -3.9641000000e-03  2.4476000000e-03  1.8409000000e-03  2.7514000000e-03 -4.3011000000e-03 -4.1410000000e-04 -2.1750000000e-04  2.4056000000e-03 -2.8973000000e-03 -1.6991000000e-03  1.4934000000e-03  3.1289000000e-03  1.8459000000e-03
-
-JOB 57
-COORDS -9.7445400000e-01  1.4010280000e+00  1.1850290000e+00 -4.9983100000e-01  1.9389190000e+00  5.5128000000e-01 -1.1288250000e+00  5.7345000000e-01  7.2948900000e-01  8.8889800000e-01 -1.3589180000e+00 -1.1256420000e+00  1.3304910000e+00 -1.9782780000e+00 -1.7066930000e+00  1.5493570000e+00 -1.1309130000e+00 -4.7139400000e-01
-ENERGY -1.526564719198e+02
-FORCES  7.2000000000e-04 -1.7188000000e-03 -5.4382000000e-03 -1.5376000000e-03 -1.6806000000e-03  3.0552000000e-03  3.9310000000e-04  4.1273000000e-03  3.1496000000e-03  5.1106000000e-03 -2.6825000000e-03 -2.9270000000e-04 -1.5533000000e-03  2.6305000000e-03  2.5351000000e-03 -3.1329000000e-03 -6.7600000000e-04 -3.0090000000e-03
-
-JOB 58
-COORDS -2.1898900000e-01 -1.4272370000e+00 -1.4768220000e+00 -3.4755000000e-01 -1.3352320000e+00 -5.3276800000e-01  7.3105000000e-01 -1.4101690000e+00 -1.5924380000e+00  1.5071100000e-01  1.4109200000e+00  1.3745330000e+00  3.3585000000e-02  9.0392900000e-01  2.1779470000e+00  7.3596100000e-01  2.1257440000e+00  1.6250170000e+00
-ENERGY -1.526548368866e+02
-FORCES  3.4171000000e-03  2.4143000000e-03  4.0757000000e-03  1.4690000000e-04 -2.3505000000e-03 -3.7790000000e-03 -3.5399000000e-03 -7.7700000000e-04  9.3000000000e-06  1.8353000000e-03  2.5170000000e-03  4.5771000000e-03  5.8630000000e-04  1.3288000000e-03 -4.0062000000e-03 -2.4456000000e-03 -3.1326000000e-03 -8.7680000000e-04
-
-JOB 59
-COORDS  1.1985000000e+00 -1.5444550000e+00  6.4429600000e-01  8.7415700000e-01 -6.6846200000e-01  4.3532300000e-01  1.8254010000e+00 -1.4052440000e+00  1.3541180000e+00 -1.2255470000e+00  1.4172630000e+00 -6.4695100000e-01 -1.7894190000e+00  2.1836770000e+00 -5.4259800000e-01 -4.9225600000e-01  1.7292380000e+00 -1.1772230000e+00
-ENERGY -1.526554915408e+02
-FORCES -2.6060000000e-04  4.4935000000e-03  2.1511000000e-03  3.6725000000e-03 -4.1774000000e-03  6.2220000000e-04 -2.3092000000e-03 -5.5190000000e-04 -2.8558000000e-03 -1.1826000000e-03  5.2264000000e-03 -2.4367000000e-03  2.5160000000e-03 -3.0986000000e-03 -7.0660000000e-04 -2.4361000000e-03 -1.8921000000e-03  3.2258000000e-03
-
-JOB 60
-COORDS -7.7710000000e-03 -1.7070810000e+00  1.1304470000e+00  4.9916000000e-02 -1.1368660000e+00  1.8971010000e+00  1.0641800000e-01 -2.5909710000e+00  1.4796330000e+00  2.7842000000e-02  1.7324560000e+00 -1.2642040000e+00  4.5535600000e-01  1.4753650000e+00 -4.4727800000e-01 -8.9138100000e-01  1.8534790000e+00 -1.0262640000e+00
-ENERGY -1.526541296221e+02
-FORCES  7.4940000000e-04 -2.6722000000e-03  4.5643000000e-03 -1.8790000000e-04 -1.4781000000e-03 -3.7608000000e-03 -5.5700000000e-04  3.7901000000e-03 -1.3039000000e-03 -2.1092000000e-03 -2.2646000000e-03  4.2859000000e-03 -1.5442000000e-03  2.4208000000e-03 -2.8610000000e-03  3.6489000000e-03  2.0410000000e-04 -9.2450000000e-04
-
-JOB 61
-COORDS -1.8830600000e+00 -6.6374500000e-01  7.8968700000e-01 -2.2734930000e+00 -1.5322760000e+00  6.9249100000e-01 -2.0407440000e+00 -2.3428100000e-01 -5.1103000000e-02  1.9004680000e+00  7.4720000000e-01 -7.6639800000e-01  1.2668540000e+00  9.7641000000e-02 -4.6170400000e-01  2.7526690000e+00  3.7895700000e-01 -5.3319500000e-01
-ENERGY -1.526555432401e+02
-FORCES -4.0190000000e-03 -1.5075000000e-03 -3.3027000000e-03  1.9140000000e-03  3.6625000000e-03  3.2430000000e-04  1.5037000000e-03 -2.3243000000e-03  3.5703000000e-03  6.6440000000e-04 -4.1967000000e-03  3.1884000000e-03  3.1902000000e-03  2.9213000000e-03 -2.6779000000e-03 -3.2532000000e-03  1.4448000000e-03 -1.1025000000e-03
-
-JOB 62
-COORDS  7.0382000000e-01  2.0837120000e+00 -2.5855400000e-01  1.1210700000e-01  1.8504070000e+00 -9.7386900000e-01  1.4705100000e-01  2.5349450000e+00  3.7597600000e-01 -6.4294100000e-01 -2.0351740000e+00  2.3063500000e-01 -2.9237400000e-01 -2.2684150000e+00  1.0902480000e+00 -9.9034600000e-01 -2.8562700000e+00 -1.1770800000e-01
-ENERGY -1.526543721276e+02
-FORCES -5.1775000000e-03 -4.3410000000e-04 -4.4260000000e-04  2.5431000000e-03  2.0472000000e-03  2.5156000000e-03  2.3916000000e-03 -1.4566000000e-03 -2.3671000000e-03  7.5220000000e-04 -4.2806000000e-03  2.4326000000e-03 -1.8470000000e-03  6.2930000000e-04 -3.4562000000e-03  1.3377000000e-03  3.4948000000e-03  1.3176000000e-03
-
-JOB 63
-COORDS  5.8217700000e-01  2.1153580000e+00 -7.2307800000e-01  1.0033950000e+00  1.3776600000e+00 -1.1642220000e+00  6.2776800000e-01  1.8962450000e+00  2.0759000000e-01 -5.6330200000e-01 -2.0440080000e+00  7.3724200000e-01 -1.3200900000e+00 -1.4933080000e+00  5.3665800000e-01 -6.6338300000e-01 -2.8063410000e+00  1.6709900000e-01
-ENERGY -1.526554591260e+02
-FORCES  2.5650000000e-03 -4.2778000000e-03  2.3525000000e-03 -1.8829000000e-03  3.3734000000e-03  1.2685000000e-03 -5.9730000000e-04  1.4330000000e-03 -3.8636000000e-03 -4.1397000000e-03 -1.5353000000e-03 -2.9546000000e-03  3.5619000000e-03 -2.2348000000e-03  9.2110000000e-04  4.9300000000e-04  3.2415000000e-03  2.2761000000e-03
-
-JOB 64
-COORDS -1.4172650000e+00 -1.7578080000e+00 -5.2731000000e-02 -1.5782820000e+00 -2.4416710000e+00 -7.0283600000e-01 -9.6735600000e-01 -2.2076760000e+00  6.6241500000e-01  1.4207080000e+00  1.8237680000e+00 -9.5200000000e-03  8.0896000000e-01  2.4504550000e+00  3.7682100000e-01  1.6493510000e+00  1.2363340000e+00  7.1081100000e-01
-ENERGY -1.526536701763e+02
-FORCES  1.3081000000e-03 -4.6424000000e-03 -4.2340000000e-04  5.2340000000e-04  2.6827000000e-03  2.8353000000e-03 -1.7088000000e-03  2.1087000000e-03 -2.6409000000e-03 -2.6176000000e-03 -4.8230000000e-04  4.2545000000e-03  2.8545000000e-03 -2.1427000000e-03 -1.4174000000e-03 -3.5960000000e-04  2.4760000000e-03 -2.6081000000e-03
-
-JOB 65
-COORDS  7.5492600000e-01 -1.7873480000e+00  1.2156420000e+00  2.4512400000e-01 -2.3114350000e+00  5.9785000000e-01  1.5307290000e+00 -2.3177920000e+00  1.3972720000e+00 -8.0806000000e-01  1.8039230000e+00 -1.2187790000e+00 -8.7543700000e-01  2.1323940000e+00 -3.2223100000e-01 -1.1081200000e-01  2.3270560000e+00 -1.6142650000e+00
-ENERGY -1.526544680100e+02
-FORCES  7.3310000000e-04 -4.1898000000e-03 -2.4126000000e-03  2.2724000000e-03  1.6664000000e-03  2.9522000000e-03 -3.0664000000e-03  2.2254000000e-03 -6.8540000000e-04  3.0630000000e-03  3.0033000000e-03  2.7722000000e-03 -1.0430000000e-04 -7.5760000000e-04 -3.9751000000e-03 -2.8978000000e-03 -1.9477000000e-03  1.3487000000e-03
-
-JOB 66
-COORDS -1.2644340000e+00 -1.1597090000e+00  1.6689000000e+00 -1.8393800000e+00 -1.9201390000e+00  1.7550120000e+00 -1.5396600000e+00 -7.4194100000e-01  8.5284100000e-01  1.2755440000e+00  1.2262810000e+00 -1.6035850000e+00  1.3736080000e+00  9.2240500000e-01 -2.5059570000e+00  1.8902170000e+00  6.9081800000e-01 -1.1018990000e+00
-ENERGY -1.526549660217e+02
-FORCES -3.5907000000e-03 -8.0040000000e-04 -3.1302000000e-03  2.3777000000e-03  2.9946000000e-03 -3.8780000000e-04  8.5020000000e-04 -2.3998000000e-03  3.6932000000e-03  3.5559000000e-03 -3.2461000000e-03 -1.3677000000e-03 -6.1490000000e-04  1.1665000000e-03  3.6959000000e-03 -2.5782000000e-03  2.2852000000e-03 -2.5034000000e-03
-
-JOB 67
-COORDS -6.3324300000e-01 -2.0204280000e+00  1.1479410000e+00 -3.7981800000e-01 -2.9272050000e+00  1.3204610000e+00 -4.4889900000e-01 -1.5598320000e+00  1.9665380000e+00  5.9594000000e-01  1.9793530000e+00 -1.2192310000e+00  1.4437140000e+00  2.3813630000e+00 -1.0297600000e+00 -3.0568000000e-02  2.7004780000e+00 -1.1584120000e+00
-ENERGY -1.526532140959e+02
-FORCES  2.0693000000e-03 -1.3405000000e-03  3.7285000000e-03 -1.0628000000e-03  3.6633000000e-03 -7.1650000000e-04 -9.0100000000e-04 -2.0985000000e-03 -3.0466000000e-03  6.7920000000e-04  4.3055000000e-03  9.3690000000e-04 -3.4370000000e-03 -1.6596000000e-03 -6.9530000000e-04  2.6522000000e-03 -2.8702000000e-03 -2.0700000000e-04
-
-JOB 68
-COORDS -3.0916700000e-01 -2.4660100000e+00  1.6919700000e-01 -1.3580100000e-01 -1.5297650000e+00  7.1101000000e-02  1.6546600000e-01 -2.8750740000e+00 -5.5442000000e-01  2.2417900000e-01  2.4734400000e+00 -1.0357100000e-01  6.7325700000e-01  2.5211740000e+00 -9.4753900000e-01  6.8158400000e-01  1.7805690000e+00  3.7281300000e-01
-ENERGY -1.526535100958e+02
-FORCES  2.0010000000e-03  1.9712000000e-03 -3.5929000000e-03  1.4460000000e-04 -3.7293000000e-03  6.8630000000e-04 -1.8230000000e-03  1.8336000000e-03  3.0615000000e-03  3.9948000000e-03 -1.4391000000e-03 -1.2225000000e-03 -1.9779000000e-03 -6.3670000000e-04  3.5980000000e-03 -2.3396000000e-03  2.0004000000e-03 -2.5303000000e-03
-
-JOB 69
-COORDS -4.6067200000e-01 -8.1300400000e-01 -2.4486460000e+00 -1.3145190000e+00 -4.1896100000e-01 -2.6272720000e+00 -6.6421400000e-01 -1.6914650000e+00 -2.1275410000e+00  5.2367100000e-01  7.7672500000e-01  2.4668360000e+00  4.8344800000e-01  9.9044700000e-01  1.5346680000e+00  3.6829700000e-01  1.6102370000e+00  2.9110740000e+00
-ENERGY -1.526548425958e+02
-FORCES -4.3807000000e-03 -2.5670000000e-03  2.3540000000e-04  3.5936000000e-03 -1.3986000000e-03  9.0300000000e-04  7.8690000000e-04  3.7694000000e-03 -1.4163000000e-03 -5.0160000000e-04  4.1796000000e-03 -2.3957000000e-03 -3.6400000000e-05 -6.3550000000e-04  4.4217000000e-03  5.3820000000e-04 -3.3479000000e-03 -1.7482000000e-03
-
-JOB 70
-COORDS  1.2384420000e+00 -3.4581000000e-01 -2.3365960000e+00  2.0554200000e+00  1.5103200000e-01 -2.3804950000e+00  1.2130340000e+00 -6.8741000000e-01 -1.4427870000e+00 -1.2821910000e+00  3.4084500000e-01  2.2266900000e+00 -1.7936980000e+00  8.7333800000e-01  2.8358240000e+00 -8.0876400000e-01 -2.7526500000e-01  2.7857130000e+00
-ENERGY -1.526541852536e+02
-FORCES  2.6318000000e-03  9.7820000000e-04  3.9571000000e-03 -3.1470000000e-03 -2.0747000000e-03  5.0000000000e-05  7.0330000000e-04  9.4910000000e-04 -3.9394000000e-03 -7.3540000000e-04 -8.3200000000e-05  4.8988000000e-03  2.1834000000e-03 -2.2529000000e-03 -2.3990000000e-03 -1.6361000000e-03  2.4835000000e-03 -2.5676000000e-03
-
-JOB 71
-COORDS -2.3275800000e-01 -1.5184570000e+00 -2.6188860000e+00 -1.2273100000e-01 -1.1098050000e+00 -1.7603240000e+00 -8.8000000000e-01 -9.7138900000e-01 -3.0638880000e+00  2.2080700000e-01  1.4976920000e+00  2.6253970000e+00 -2.7380000000e-03  8.1538500000e-01  1.9923750000e+00  1.1778340000e+00  1.5146460000e+00  2.6320460000e+00
-ENERGY -1.526535852469e+02
-FORCES -2.3939000000e-03  3.8977000000e-03  1.2877000000e-03 -2.9570000000e-04 -1.6062000000e-03 -3.0545000000e-03  2.7446000000e-03 -2.2883000000e-03  1.9459000000e-03  3.1909000000e-03 -2.6838000000e-03 -2.0683000000e-03  8.2350000000e-04  2.7819000000e-03  2.0693000000e-03 -4.0694000000e-03 -1.0120000000e-04 -1.8010000000e-04
-
-JOB 72
-COORDS  8.4540700000e-01 -2.0552620000e+00 -2.0464380000e+00  4.2857100000e-01 -2.2143100000e+00 -2.8933040000e+00  1.3567740000e+00 -2.8467450000e+00 -1.8782380000e+00 -8.7836300000e-01  2.1701680000e+00  2.1047230000e+00 -1.3583500000e+00  1.3965700000e+00  1.8091040000e+00  4.2492000000e-02  1.9126930000e+00  2.0604040000e+00
-ENERGY -1.526546651901e+02
-FORCES  4.6380000000e-04 -3.9320000000e-03 -3.0849000000e-03  1.6969000000e-03  5.9810000000e-04  3.5275000000e-03 -2.1233000000e-03  3.2725000000e-03 -5.9450000000e-04  1.9507000000e-03 -4.4275000000e-03 -1.8218000000e-03  1.7035000000e-03  3.2600000000e-03  1.4781000000e-03 -3.6916000000e-03  1.2289000000e-03  4.9560000000e-04
-
-JOB 73
-COORDS -1.6713180000e+00  1.4082330000e+00 -2.1091460000e+00 -1.9341580000e+00  1.7827170000e+00 -2.9499250000e+00 -2.4170180000e+00  8.7072600000e-01 -1.8422190000e+00  1.7797610000e+00 -1.3759280000e+00  2.1164350000e+00  9.4104600000e-01 -9.4203900000e-01  2.2730570000e+00  1.6767920000e+00 -2.2446500000e+00  2.5049600000e+00
-ENERGY -1.526538734632e+02
-FORCES -3.9506000000e-03 -6.6230000000e-04 -2.5780000000e-03  1.0090000000e-03 -1.5301000000e-03  3.4658000000e-03  3.0300000000e-03  2.1848000000e-03 -9.0190000000e-04 -3.9104000000e-03 -1.4920000000e-03  1.9538000000e-03  3.4049000000e-03 -1.9914000000e-03 -3.7020000000e-04  4.1710000000e-04  3.4911000000e-03 -1.5695000000e-03
-
-JOB 74
-COORDS -2.0434210000e+00 -1.2409000000e-01  2.2500350000e+00 -2.9657680000e+00 -3.7239400000e-01  2.3121060000e+00 -1.6370870000e+00 -5.1494700000e-01  3.0235700000e+00  2.0939760000e+00  2.2155200000e-01 -2.2906790000e+00  2.3824720000e+00 -4.5576600000e-01 -2.9024320000e+00  1.3713090000e+00 -1.8161700000e-01 -1.8095980000e+00
-ENERGY -1.526544077026e+02
-FORCES -2.2267000000e-03 -2.3490000000e-03  3.6953000000e-03  3.8197000000e-03  9.3340000000e-04 -3.1210000000e-04 -1.6664000000e-03  1.4905000000e-03 -3.2729000000e-03 -2.0926000000e-03 -4.2579000000e-03 -2.4780000000e-04 -1.1029000000e-03  2.7150000000e-03  2.4325000000e-03  3.2689000000e-03  1.4680000000e-03 -2.2950000000e-03
-
-JOB 75
-COORDS -1.1946600000e-01 -8.0431200000e-01 -3.0343140000e+00  3.8150700000e-01 -1.5169900000e-01 -2.5450750000e+00  4.5055400000e-01 -1.0468340000e+00 -3.7640340000e+00  3.5950000000e-02  7.6083300000e-01  2.9968560000e+00  4.3265200000e-01  2.0802000000e-01  3.6701000000e+00  2.1708600000e-01  1.6558550000e+00  3.2838350000e+00
-ENERGY -1.526540794071e+02
-FORCES  4.2962000000e-03  1.7517000000e-03 -5.3570000000e-04 -1.9192000000e-03 -2.6461000000e-03 -2.4174000000e-03 -2.3118000000e-03  9.5530000000e-04  2.9081000000e-03  2.1379000000e-03  1.2497000000e-03  4.0940000000e-03 -1.5479000000e-03  2.3346000000e-03 -2.7647000000e-03 -6.5530000000e-04 -3.6453000000e-03 -1.2843000000e-03
-
-JOB 76
-COORDS -4.3372400000e-01 -2.1227190000e+00 -3.2078030000e+00 -2.3362600000e-01 -2.4736520000e+00 -2.3400250000e+00 -1.2906140000e+00 -1.7081520000e+00 -3.1072800000e+00  5.2301300000e-01  2.0872970000e+00  3.1213790000e+00 -2.7890600000e-01  1.6740360000e+00  3.4413380000e+00  4.1722600000e-01  3.0142210000e+00  3.3355100000e+00
-ENERGY -1.526540704530e+02
-FORCES -2.5155000000e-03  4.0800000000e-04  4.0683000000e-03 -9.2210000000e-04  1.3130000000e-03 -3.5955000000e-03  3.4051000000e-03 -1.7382000000e-03 -4.5340000000e-04 -3.5948000000e-03  2.2459000000e-03  2.2545000000e-03  3.2380000000e-03  1.5933000000e-03 -1.4031000000e-03  3.8940000000e-04 -3.8220000000e-03 -8.7080000000e-04
-
-JOB 77
-COORDS  6.7921000000e-02 -1.7877740000e+00 -3.6612030000e+00 -8.6820700000e-01 -1.6566870000e+00 -3.8119090000e+00  1.6981500000e-01 -1.7210010000e+00 -2.7117870000e+00 -7.8905000000e-02  1.7851110000e+00  3.6481860000e+00  1.4294400000e-01  1.9266810000e+00  2.7278750000e+00  7.3695200000e-01  1.4840520000e+00  4.0481510000e+00
-ENERGY -1.526540562100e+02
-FORCES -3.5160000000e-03  6.8300000000e-04  3.1894000000e-03  3.8689000000e-03 -4.9670000000e-04  6.3190000000e-04 -3.2360000000e-04 -1.6330000000e-04 -3.8290000000e-03  4.3222000000e-03 -4.8590000000e-04 -1.9728000000e-03 -9.8160000000e-04 -7.1850000000e-04  3.6740000000e-03 -3.3700000000e-03  1.1813000000e-03 -1.6934000000e-03
-
-JOB 78
-COORDS  1.3568830000e+00 -2.9867640000e+00  3.1425660000e+00  1.9941700000e+00 -3.6751300000e+00  2.9521730000e+00  9.4936000000e-01 -3.2578550000e+00  3.9651630000e+00 -1.3571140000e+00  2.9705340000e+00 -3.1909510000e+00 -1.7681350000e+00  3.3952120000e+00 -2.4379950000e+00 -1.1205090000e+00  3.6920140000e+00 -3.7738030000e+00
-ENERGY -1.526539675697e+02
-FORCES  9.2760000000e-04 -3.9282000000e-03  2.4783000000e-03 -2.5892000000e-03  2.8031000000e-03  8.2580000000e-04  1.6615000000e-03  1.1255000000e-03 -3.3302000000e-03 -6.5640000000e-04  4.6089000000e-03  8.2280000000e-04  1.6315000000e-03 -1.6732000000e-03 -3.1374000000e-03 -9.7500000000e-04 -2.9361000000e-03  2.3406000000e-03
-
-JOB 79
-COORDS -3.1823430000e+00  2.0648370000e+00  2.6102710000e+00 -3.5941700000e+00  1.4516680000e+00  3.2190860000e+00 -2.3626860000e+00  2.3133090000e+00  3.0376530000e+00  3.2197960000e+00 -2.0226820000e+00 -2.6738560000e+00  2.9506070000e+00 -2.9410740000e+00 -2.6557880000e+00  2.3980700000e+00 -1.5317890000e+00 -2.6784760000e+00
-ENERGY -1.526541776499e+02
-FORCES  1.6445000000e-03 -1.4028000000e-03  4.3036000000e-03  1.6887000000e-03  2.4677000000e-03 -2.5185000000e-03 -3.3493000000e-03 -1.0517000000e-03 -1.7774000000e-03 -4.5038000000e-03 -1.7044000000e-03  9.7000000000e-06  1.1219000000e-03  3.7224000000e-03 -5.2100000000e-05  3.3980000000e-03 -2.0312000000e-03  3.4600000000e-05
-
-JOB 80
-COORDS -9.7994700000e-01 -4.6235270000e+00  6.7603900000e-01 -5.6189200000e-01 -5.1686850000e+00  9.5070000000e-03 -3.9107900000e-01 -3.8758900000e+00  7.7853100000e-01  9.8926600000e-01  4.6117200000e+00 -6.5125400000e-01  4.6258600000e-01  4.5440080000e+00  1.4514800000e-01  3.4876500000e-01  4.7231310000e+00 -1.3538040000e+00
-ENERGY -1.526541702070e+02
-FORCES  4.1677000000e-03  8.0410000000e-04 -2.3042000000e-03 -1.7276000000e-03  2.2175000000e-03  2.7144000000e-03 -2.4519000000e-03 -3.0370000000e-03 -4.0580000000e-04 -4.7952000000e-03  2.7980000000e-04  3.8660000000e-04  2.1748000000e-03  2.2620000000e-04 -3.2537000000e-03  2.6322000000e-03 -4.9070000000e-04  2.8626000000e-03
-
-JOB 81
-COORDS -2.0587650000e+00 -1.5085460000e+00 -4.0589110000e+00 -2.4941490000e+00 -1.2699630000e+00 -3.2405290000e+00 -1.9605850000e+00 -6.8041600000e-01 -4.5287990000e+00  2.0925590000e+00  1.4138420000e+00  3.9902990000e+00  1.4816550000e+00  1.1741430000e+00  4.6871290000e+00  2.4370950000e+00  2.2664510000e+00  4.2559770000e+00
-ENERGY -1.526540785006e+02
-FORCES -1.2550000000e-03  4.3753000000e-03  1.5196000000e-03  1.6904000000e-03 -9.8670000000e-04 -3.3829000000e-03 -4.4720000000e-04 -3.3790000000e-03  1.8658000000e-03 -1.0094000000e-03  2.4582000000e-03  3.9719000000e-03  2.4576000000e-03  9.9870000000e-04 -2.8708000000e-03 -1.4365000000e-03 -3.4665000000e-03 -1.1035000000e-03
-
-JOB 82
-COORDS -2.8399960000e+00  3.9170200000e-01 -4.1163720000e+00 -3.7558320000e+00  1.5331700000e-01 -3.9726740000e+00 -2.4096510000e+00 -4.3330500000e-01 -4.3408670000e+00  2.8449730000e+00 -3.6373700000e-01  4.0580360000e+00  3.5410920000e+00  2.8395200000e-01  4.1682570000e+00  2.4658800000e+00 -4.5964800000e-01  4.9317180000e+00
-ENERGY -1.526540523716e+02
-FORCES -1.9055000000e-03 -4.3740000000e-03 -2.2920000000e-04  3.7028000000e-03  9.8940000000e-04 -6.1760000000e-04 -1.7955000000e-03  3.3717000000e-03  8.5040000000e-04  1.2715000000e-03  2.3191000000e-03  3.9740000000e-03 -2.8223000000e-03 -2.6687000000e-03 -4.2480000000e-04  1.5490000000e-03  3.6250000000e-04 -3.5527000000e-03
-
-JOB 83
-COORDS  3.5583140000e+00 -3.5980240000e+00 -1.3464890000e+00  3.9003430000e+00 -4.3781100000e+00 -9.0978100000e-01  4.2080410000e+00 -3.3954940000e+00 -2.0195930000e+00 -3.6396370000e+00  3.6253960000e+00  1.4220900000e+00 -3.2829250000e+00  2.9459550000e+00  8.4994600000e-01 -3.5889070000e+00  4.4276810000e+00  9.0247700000e-01
-ENERGY -1.526541447791e+02
-FORCES  4.0693000000e-03 -2.3951000000e-03 -9.2680000000e-04 -1.3945000000e-03  3.1878000000e-03 -1.7988000000e-03 -2.6669000000e-03 -8.0400000000e-04  2.7319000000e-03  1.7246000000e-03  4.2540000000e-04 -4.4587000000e-03 -1.5040000000e-03  2.8229000000e-03  2.3297000000e-03 -2.2850000000e-04 -3.2369000000e-03  2.1228000000e-03
-
-JOB 84
-COORDS  4.8850320000e+00  1.7563100000e+00 -1.3600170000e+00  5.0291740000e+00  1.3481630000e+00 -2.2137560000e+00  4.5855160000e+00  1.0406300000e+00 -7.9937100000e-01 -4.9308220000e+00 -1.6695790000e+00  1.4087030000e+00 -4.8877690000e+00 -2.1331620000e+00  5.7236000000e-01 -4.0284350000e+00 -1.6662000000e+00  1.7279500000e+00
-ENERGY -1.526539915811e+02
-FORCES -5.6960000000e-04 -4.5476000000e-03 -1.2089000000e-03 -6.1860000000e-04  1.6472000000e-03  3.4999000000e-03  1.1750000000e-03  2.9013000000e-03 -2.2876000000e-03  3.8245000000e-03 -1.8426000000e-03 -2.1008000000e-03 -1.5060000000e-04  1.8804000000e-03  3.4149000000e-03 -3.6608000000e-03 -3.8800000000e-05 -1.3175000000e-03
-
-JOB 85
-COORDS  1.0468860000e+00 -5.6606500000e+00  2.4641290000e+00  8.8835700000e-01 -6.4504320000e+00  2.9811830000e+00  1.9752250000e+00 -5.7059460000e+00  2.2352910000e+00 -1.0802060000e+00  5.7692180000e+00 -2.5119450000e+00 -1.4000790000e+00  4.9595440000e+00 -2.9098650000e+00 -9.9528300000e-01  5.5620140000e+00 -1.5813070000e+00
-ENERGY -1.526541487544e+02
-FORCES  3.1482000000e-03 -3.4412000000e-03  1.1886000000e-03  6.4460000000e-04  3.2294000000e-03 -2.1114000000e-03 -3.7922000000e-03  2.0320000000e-04  9.2660000000e-04 -9.6360000000e-04 -4.1844000000e-03  2.1907000000e-03  1.3040000000e-03  3.3206000000e-03  1.6026000000e-03 -3.4100000000e-04  8.7230000000e-04 -3.7971000000e-03
-
-JOB 86
-COORDS  5.7738700000e+00 -1.4849260000e+00 -4.1578310000e+00  5.6493740000e+00 -5.4064000000e-01 -4.0626620000e+00  5.5390060000e+00 -1.8453390000e+00 -3.3027440000e+00 -5.7290060000e+00  1.4019230000e+00  4.1352170000e+00 -6.2778650000e+00  1.5298270000e+00  3.3615070000e+00 -5.6738550000e+00  2.2692530000e+00  4.5363760000e+00
-ENERGY -1.526540954160e+02
-FORCES -1.4763000000e-03  2.3690000000e-03  3.8930000000e-03  5.1190000000e-04 -3.8429000000e-03 -3.9870000000e-04  9.6660000000e-04  1.4753000000e-03 -3.4962000000e-03 -2.0508000000e-03  4.0547000000e-03 -1.5057000000e-03  2.2561000000e-03 -5.1860000000e-04  3.1512000000e-03 -2.0750000000e-04 -3.5374000000e-03 -1.6436000000e-03
-
-JOB 87
-COORDS -7.0916610000e+00 -2.5858310000e+00  1.1426200000e-01 -6.8224890000e+00 -2.3789750000e+00 -7.8071800000e-01 -8.0275550000e+00 -2.7746440000e+00  4.5815000000e-02  7.1908180000e+00  2.5798860000e+00 -3.3731000000e-02  6.3793070000e+00  2.2281570000e+00  3.3228700000e-01  6.9209030000e+00  3.0130780000e+00 -8.4349700000e-01
-ENERGY -1.526540852884e+02
-FORCES -2.7451000000e-03  5.5000000000e-05 -3.9228000000e-03 -1.0801000000e-03 -8.3240000000e-04  3.6507000000e-03  3.8244000000e-03  7.7640000000e-04  2.7440000000e-04 -4.4221000000e-03  3.2480000000e-04 -1.7925000000e-03  3.3170000000e-03  1.4400000000e-03 -1.5040000000e-03  1.1059000000e-03 -1.7638000000e-03  3.2941000000e-03
-
-JOB 88
-COORDS  4.5861040000e+00 -6.5040850000e+00 -5.5430100000e-01  4.8139450000e+00 -6.4167120000e+00 -1.4798750000e+00  4.2829850000e+00 -7.4077220000e+00 -4.6603200000e-01 -4.6370440000e+00  6.5263170000e+00  5.8268400000e-01 -3.8663440000e+00  6.7859670000e+00  7.7872000000e-02 -4.4235930000e+00  6.7628880000e+00  1.4852940000e+00
-ENERGY -1.526540852631e+02
-FORCES -3.2140000000e-04 -3.3348000000e-03 -3.4175000000e-03 -9.2220000000e-04 -3.5250000000e-04  3.7763000000e-03  1.2431000000e-03  3.6859000000e-03 -3.5920000000e-04  4.0300000000e-03  2.0040000000e-03  1.6311000000e-03 -3.1507000000e-03 -1.0483000000e-03  2.0525000000e-03 -8.7870000000e-04 -9.5420000000e-04 -3.6832000000e-03
-
-JOB 89
-COORDS  1.7387640000e+00 -6.3761850000e+00 -6.3847300000e+00  1.5930850000e+00 -6.2382350000e+00 -7.3206670000e+00  2.4568880000e+00 -7.0077580000e+00 -6.3441560000e+00 -1.8255170000e+00  6.4210910000e+00  6.4099430000e+00 -1.1510430000e+00  6.9685090000e+00  6.8120000000e+00 -1.4719600000e+00  5.5327240000e+00  6.4550290000e+00
-ENERGY -1.526540764097e+02
-FORCES  2.3269000000e-03 -2.0124000000e-03 -3.6589000000e-03  5.9850000000e-04 -5.6430000000e-04  3.8195000000e-03 -2.9263000000e-03  2.5770000000e-03 -1.6130000000e-04  4.1943000000e-03 -1.4046000000e-03  1.8099000000e-03 -2.7521000000e-03 -2.2268000000e-03 -1.6351000000e-03 -1.4413000000e-03  3.6312000000e-03 -1.7400000000e-04
-
-JOB 0
-COORDS  7.6058700000e-01 -1.0947610000e+00  1.4922800000e-01  2.7703500000e-01 -2.7081000000e-01  2.0850200000e-01  1.0025600000e-01 -1.7717340000e+00  2.9722800000e-01 -6.4719800000e-01  1.0488550000e+00 -1.3054600000e-01 -7.2691700000e-01  2.0015990000e+00 -1.7698300000e-01 -1.4167010000e+00  7.2068500000e-01 -5.9573600000e-01
-ENERGY -1.526562032572e+02
-FORCES -9.3756000000e-03  1.5631500000e-02 -2.6310000000e-04 -2.8380000000e-04 -7.0456000000e-03 -3.8230000000e-04  1.4560000000e-04  3.4764000000e-03 -1.5006000000e-03  7.4756000000e-03 -8.8580000000e-03  1.1880000000e-04 -1.7836000000e-03 -5.0009000000e-03 -1.3763000000e-03  3.8218000000e-03  1.7966000000e-03  3.4035000000e-03
-
-JOB 1
-COORDS -1.4952700000e-01 -1.0798950000e+00 -7.1558000000e-01  5.2877700000e-01 -1.6489200000e+00 -3.5178700000e-01  3.1348400000e-01 -5.2623400000e-01 -1.3443200000e+00  2.7155000000e-02  1.1204340000e+00  7.5484000000e-01 -7.4610000000e-03  2.0803900000e-01  4.6749300000e-01  9.5277600000e-01  1.3564200000e+00  6.9346200000e-01
-ENERGY -1.526552954072e+02
-FORCES  2.8520000000e-03  6.2017000000e-03 -1.0472000000e-03 -3.3709000000e-03  7.1316000000e-03  5.4890000000e-04 -1.1140000000e-03 -2.3499000000e-03  6.5054000000e-03 -1.2209000000e-03 -1.5646700000e-02 -8.1035000000e-03  5.7447000000e-03  7.4503000000e-03  4.0219000000e-03 -2.8909000000e-03 -2.7869000000e-03 -1.9255000000e-03
-
-JOB 2
-COORDS -1.1874620000e+00  2.2108000000e-01  3.1886500000e-01 -1.9694100000e+00 -1.9880200000e-01  6.7731800000e-01 -1.2892090000e+00  1.1467310000e+00  5.4033600000e-01  1.2760890000e+00 -2.3200100000e-01 -3.9215400000e-01  4.2543100000e-01  1.4295100000e-01 -1.6406800000e-01  1.3588570000e+00 -1.0004100000e+00  1.7258500000e-01
-ENERGY -1.526551446321e+02
-FORCES  8.8871000000e-03 -4.6276000000e-03 -2.1081000000e-03  3.1436000000e-03  3.8405000000e-03 -9.0680000000e-04  2.5230000000e-03 -5.9060000000e-03 -1.7621000000e-03 -1.8677100000e-02 -1.2663000000e-03  7.1595000000e-03  3.3966000000e-03  6.8810000000e-03 -8.1160000000e-04  7.2660000000e-04  1.0784000000e-03 -1.5709000000e-03
-
-JOB 3
-COORDS -5.5750900000e-01 -7.1806900000e-01  8.6934700000e-01 -1.2739690000e+00 -8.2486200000e-01  1.4950560000e+00 -2.7599800000e-01 -1.6114180000e+00  6.7208600000e-01  5.7889900000e-01  7.9411900000e-01 -9.6708900000e-01  4.4911000000e-02  2.1898000000e-01 -4.1908900000e-01  1.2229520000e+00  1.1683430000e+00 -3.6593800000e-01
-ENERGY -1.526585301812e+02
-FORCES  1.2883000000e-03  4.5505000000e-03 -5.1681000000e-03  4.5590000000e-03 -1.5372000000e-03 -2.4395000000e-03 -2.1066000000e-03  5.5945000000e-03  6.9980000000e-04 -6.9778000000e-03 -7.0563000000e-03  1.4593400000e-02  4.3521000000e-03 -7.8390000000e-04 -5.9479000000e-03 -1.1150000000e-03 -7.6750000000e-04 -1.7377000000e-03
-
-JOB 4
-COORDS -3.5351000000e-02 -1.2027570000e+00 -5.8765100000e-01 -6.2184500000e-01 -1.5218400000e+00 -1.2735390000e+00  6.4048400000e-01 -7.1445100000e-01 -1.0577960000e+00  5.4095000000e-02  1.2510090000e+00  6.2095900000e-01 -2.1563700000e-01  1.1527080000e+00  1.5340930000e+00 -6.3416000000e-02  3.8036600000e-01  2.4095300000e-01
-ENERGY -1.526588772699e+02
-FORCES -7.6940000000e-04  2.8231000000e-03 -3.0396000000e-03  3.9717000000e-03  1.4297000000e-03  2.8471000000e-03 -7.0248000000e-03  9.0990000000e-04  6.0775000000e-03 -3.7263000000e-03 -1.2955600000e-02 -1.5686000000e-03  3.9140000000e-04 -1.0220000000e-04 -2.7439000000e-03  7.1575000000e-03  7.8952000000e-03 -1.5725000000e-03
-
-JOB 5
-COORDS -5.1236000000e-02 -1.2442030000e+00 -6.1889400000e-01  6.5301400000e-01 -1.4470710000e+00 -1.2346120000e+00 -4.6879000000e-02 -2.8911400000e-01 -5.5551000000e-01  3.2604000000e-02  1.1689360000e+00  5.9637700000e-01 -6.6915400000e-01  1.8103780000e+00  7.0736700000e-01  3.4919600000e-01  1.0035120000e+00  1.4844290000e+00
-ENERGY -1.526600083735e+02
-FORCES  1.1656000000e-03  1.1622700000e-02  3.8198000000e-03 -1.7121000000e-03  2.1543000000e-03  2.6052000000e-03 -2.1610000000e-04 -7.6469000000e-03 -5.9160000000e-03 -6.3620000000e-04 -5.8540000000e-03  2.9847000000e-03  3.2818000000e-03 -3.4518000000e-03  2.5000000000e-06 -1.8831000000e-03  3.1758000000e-03 -3.4962000000e-03
-
-JOB 6
-COORDS  1.0600000000e-03  9.1712700000e-01 -9.1046900000e-01  7.2878300000e-01  1.1633260000e+00 -1.4814660000e+00 -7.0305600000e-01  1.5217010000e+00 -1.1448670000e+00 -2.3970000000e-02 -9.6105200000e-01  1.0202680000e+00  3.4765400000e-01 -3.2461500000e-01  4.0946800000e-01 -1.4515000000e-02 -1.7887820000e+00  5.3963800000e-01
-ENERGY -1.526578662205e+02
-FORCES -4.4557000000e-03 -9.0990000000e-04  3.4915000000e-03 -3.5921000000e-03 -2.2662000000e-03  3.5740000000e-03  4.5611000000e-03 -1.9140000000e-03 -1.0662000000e-03 -6.2920000000e-04  7.8643000000e-03 -1.1663800000e-02  3.8913000000e-03 -5.3329000000e-03  4.6321000000e-03  2.2470000000e-04  2.5586000000e-03  1.0323000000e-03
-
-JOB 7
-COORDS -1.0311200000e+00  6.6709600000e-01  6.1306200000e-01 -3.5703300000e-01  1.3399850000e+00  5.1788700000e-01 -8.9745100000e-01  3.1634600000e-01  1.4935950000e+00  1.0052280000e+00 -6.9265000000e-01 -7.2161000000e-01  1.6100900000e-01 -3.1422800000e-01 -4.7600400000e-01  1.4110000000e+00 -9.3473400000e-01  1.1084200000e-01
-ENERGY -1.526576598877e+02
-FORCES  4.7831000000e-03  8.1050000000e-04  3.4906000000e-03 -2.4380000000e-03 -6.9775000000e-03 -9.5390000000e-04  9.0830000000e-04  1.2325000000e-03 -5.2437000000e-03 -1.0955100000e-02  3.2194000000e-03  8.1958000000e-03  8.9550000000e-03  3.8900000000e-05 -3.6704000000e-03 -1.2534000000e-03  1.6763000000e-03 -1.8184000000e-03
-
-JOB 8
-COORDS  1.2575660000e+00  2.5572800000e-01  3.1210800000e-01  2.0344020000e+00 -1.6417400000e-01  6.8148700000e-01  1.5971140000e+00  8.1967800000e-01 -3.8280100000e-01 -1.3864790000e+00 -2.4644400000e-01 -2.5245600000e-01 -4.6116500000e-01 -1.8625100000e-01 -1.4962000000e-02 -1.3849130000e+00 -6.3454100000e-01 -1.1274470000e+00
-ENERGY -1.526605016987e+02
-FORCES -8.8030000000e-04 -4.2660000000e-04 -1.1009000000e-03 -2.7101000000e-03  3.1360000000e-03 -2.8289000000e-03 -1.0776000000e-03 -3.9870000000e-03  3.3150000000e-03  1.2576900000e-02  8.8500000000e-05  1.7131000000e-03 -8.8559000000e-03 -4.5620000000e-04 -3.3788000000e-03  9.4700000000e-04  1.6453000000e-03  2.2803000000e-03
-
-JOB 9
-COORDS  5.3841000000e-01 -1.1103970000e+00 -5.1885600000e-01  5.0573500000e-01 -1.7808270000e+00  1.6355800000e-01  2.4769900000e-01 -1.5607810000e+00 -1.3118720000e+00 -4.8944400000e-01  1.2312280000e+00  5.3802300000e-01 -1.3505060000e+00  9.3340200000e-01  8.3145700000e-01 -1.4879500000e-01  5.0419200000e-01  1.6862000000e-02
-ENERGY -1.526604244930e+02
-FORCES -1.6881000000e-03 -9.1760000000e-04  2.2391000000e-03 -7.4300000000e-04  2.7042000000e-03 -4.4351000000e-03  8.6680000000e-04  1.7895000000e-03  4.8180000000e-03  2.8121000000e-03 -1.2098800000e-02 -5.4296000000e-03  2.5536000000e-03  1.6410000000e-04 -6.5970000000e-04 -3.8014000000e-03  8.3586000000e-03  3.4674000000e-03
-
-JOB 10
-COORDS  2.7218200000e-01  1.5076400000e-01 -1.3779950000e+00  1.1398780000e+00  4.5677700000e-01 -1.6419860000e+00  3.8547800000e-01 -1.4071600000e-01 -4.7332000000e-01 -2.6440300000e-01 -1.6404600000e-01  1.3138960000e+00 -8.4714500000e-01 -8.0683500000e-01  1.7182060000e+00 -6.8093700000e-01  6.8011600000e-01  1.4874520000e+00
-ENERGY -1.526609576338e+02
-FORCES  6.6600000000e-05 -2.3845000000e-03  1.0356000000e-02 -2.7735000000e-03 -7.8880000000e-04  2.5741000000e-03  3.1926000000e-03  1.9763000000e-03 -9.6057000000e-03 -4.4320000000e-03  1.9780000000e-03 -2.5392000000e-03  2.0928000000e-03  3.7888000000e-03 -1.3365000000e-03  1.8535000000e-03 -4.5698000000e-03  5.5130000000e-04
-
-JOB 11
-COORDS -2.5836400000e-01 -8.6879400000e-01 -1.0400550000e+00 -3.8411100000e-01 -3.3625200000e-01 -1.8254320000e+00  6.5962100000e-01 -1.1374780000e+00 -1.0767300000e+00  2.5604300000e-01  8.5646600000e-01  1.1421020000e+00  1.2215700000e-01  1.5544800000e-01  5.0422900000e-01 -3.8246300000e-01  1.5269950000e+00  8.9934100000e-01
-ENERGY -1.526593344233e+02
-FORCES  2.6411000000e-03  2.7467000000e-03 -3.6360000000e-03  8.2270000000e-04 -2.6082000000e-03  4.1975000000e-03 -5.3901000000e-03  3.6902000000e-03  2.7363000000e-03 -6.7256000000e-03 -6.2878000000e-03 -1.0451700000e-02  6.5416000000e-03  3.6920000000e-03  6.6388000000e-03  2.1104000000e-03 -1.2328000000e-03  5.1520000000e-04
-
-JOB 12
-COORDS  1.6806000000e-01  1.2636550000e+00 -7.3347200000e-01 -2.1013200000e-01  8.8470300000e-01  6.0000000000e-02  6.5724000000e-01  5.4455300000e-01 -1.1332570000e+00 -1.8404000000e-01 -1.1744000000e+00  6.4966300000e-01  4.5990000000e-01 -1.8434850000e+00  8.8182400000e-01 -6.1651700000e-01 -9.6044900000e-01  1.4763560000e+00
-ENERGY -1.526560666507e+02
-FORCES -7.7000000000e-06 -1.3762300000e-02  4.4981000000e-03 -2.2615000000e-03  5.5613000000e-03  1.6188000000e-03  9.0440000000e-04  3.7797000000e-03 -1.8478000000e-03  1.7921000000e-03 -2.6930000000e-04  2.3017000000e-03 -3.1608000000e-03  3.1758000000e-03 -1.4597000000e-03  2.7335000000e-03  1.5147000000e-03 -5.1110000000e-03
-
-JOB 13
-COORDS -2.3098100000e-01 -2.7864000000e-01 -1.3117000000e+00 -1.0157490000e+00  1.8103200000e-01 -1.6101510000e+00  4.5785100000e-01  8.4130000000e-03 -1.9111530000e+00  2.9571100000e-01  2.2240800000e-01  1.3930180000e+00  6.1458000000e-02 -6.0387000000e-02  5.0905800000e-01 -4.7786600000e-01  6.8968200000e-01  1.7084010000e+00
-ENERGY -1.526605845175e+02
-FORCES  1.6901000000e-03  4.0570000000e-03 -7.4050000000e-04  4.2110000000e-03 -1.7265000000e-03  2.0592000000e-03 -4.4700000000e-03 -1.1918000000e-03  2.1471000000e-03 -4.2987000000e-03 -1.8522000000e-03 -1.1820900000e-02  1.0952000000e-03  1.9889000000e-03  1.0323400000e-02  1.7725000000e-03 -1.2754000000e-03 -1.9682000000e-03
-
-JOB 14
-COORDS  8.3187000000e-02 -7.1579000000e-02  1.3584460000e+00  3.1025600000e-01 -1.0005080000e+00  1.4004250000e+00  4.4061800000e-01  2.9953700000e-01  2.1651360000e+00 -1.3803800000e-01  1.6506500000e-01 -1.4289010000e+00  3.9150000000e-03 -1.0169400000e-01 -5.2065000000e-01  7.2205000000e-02 -6.1414900000e-01 -1.9435420000e+00
-ENERGY -1.526574218136e+02
-FORCES  2.2899000000e-03  2.0069000000e-03  2.0080000000e-03 -8.4180000000e-04  5.5058000000e-03 -3.8854000000e-03 -1.9789000000e-03 -3.4508000000e-03 -2.6186000000e-03  1.1822000000e-03 -5.0170000000e-04  8.8943000000e-03 -2.8510000000e-04 -5.3756000000e-03 -8.1459000000e-03 -3.6630000000e-04  1.8155000000e-03  3.7477000000e-03
-
-JOB 15
-COORDS -3.7675000000e-01 -2.2550200000e-01 -1.3997860000e+00 -4.8422000000e-02 -5.2218000000e-02 -5.1751300000e-01 -1.3294750000e+00 -2.0511000000e-01 -1.3096130000e+00  3.9008100000e-01  2.2044100000e-01  1.2870610000e+00  6.6242100000e-01 -5.8142000000e-01  1.7332470000e+00  5.8240700000e-01  9.1979900000e-01  1.9116740000e+00
-ENERGY -1.526613937395e+02
-FORCES  2.0540000000e-04  3.0596000000e-03  1.0907800000e-02 -1.8685000000e-03 -3.6374000000e-03 -8.1975000000e-03  2.5690000000e-03 -1.6880000000e-04 -3.5650000000e-04  1.1345000000e-03  6.9180000000e-04  7.0470000000e-04 -1.3447000000e-03  4.5832000000e-03 -1.7421000000e-03 -6.9570000000e-04 -4.5284000000e-03 -1.3165000000e-03
-
-JOB 16
-COORDS -1.0292230000e+00 -1.0388460000e+00  2.1100300000e-01 -6.7087000000e-01 -1.5142000000e-01  2.2799600000e-01 -1.5986160000e+00 -1.0530450000e+00 -5.5829700000e-01  1.0135800000e+00  9.8858100000e-01 -2.2928600000e-01  9.9918800000e-01  1.7094140000e+00  4.0033700000e-01  1.5042890000e+00  2.9483100000e-01  2.1133400000e-01
-ENERGY -1.526598334734e+02
-FORCES  3.2845000000e-03  7.9670000000e-03 -5.3547000000e-03 -4.6031000000e-03 -6.4658000000e-03  4.4406000000e-03  1.6167000000e-03  7.2100000000e-05  2.6490000000e-03  5.5629000000e-03 -1.3364000000e-03  2.2649000000e-03 -1.8369000000e-03 -4.8389000000e-03 -2.5814000000e-03 -4.0241000000e-03  4.6019000000e-03 -1.4184000000e-03
-
-JOB 17
-COORDS -4.5940700000e-01  8.1846000000e-01  1.0307390000e+00 -6.8233500000e-01  1.7404950000e+00  1.1587460000e+00 -6.8190300000e-01  4.0006400000e-01  1.8624070000e+00  4.6932500000e-01 -8.9602000000e-01 -1.1265080000e+00  1.3207540000e+00 -6.1116700000e-01 -7.9460600000e-01 -1.6130800000e-01 -3.1823600000e-01 -6.9674200000e-01
-ENERGY -1.526604721470e+02
-FORCES -1.2499000000e-03  5.2070000000e-04  3.5258000000e-03  1.1686000000e-03 -4.5672000000e-03 -4.6500000000e-05  9.7930000000e-04  3.0505000000e-03 -3.5688000000e-03 -7.6960000000e-04  7.6696000000e-03  8.3746000000e-03 -1.1390000000e-03 -2.0290000000e-03 -2.1293000000e-03  1.0107000000e-03 -4.6447000000e-03 -6.1558000000e-03
-
-JOB 18
-COORDS  9.1853000000e-02 -2.1318400000e-01  1.4090690000e+00  1.0454860000e+00 -2.6494700000e-01  1.3447630000e+00 -6.8313000000e-02  2.5840400000e-01  2.2264940000e+00 -1.7589500000e-01  2.4329200000e-01 -1.4698450000e+00  1.6368200000e-01 -4.7956800000e-01 -1.9974740000e+00  1.5843800000e-01  7.5081000000e-02 -5.8884600000e-01
-ENERGY -1.526573169266e+02
-FORCES  1.3430000000e-04  3.0909000000e-03  4.8699000000e-03 -5.9616000000e-03  9.9250000000e-04 -3.8732000000e-03  1.7096000000e-03 -3.1185000000e-03 -3.0103000000e-03 -3.2630000000e-04 -3.3937000000e-03  7.1404000000e-03 -5.0440000000e-04  2.3676000000e-03  2.8713000000e-03  4.9483000000e-03  6.1200000000e-05 -7.9981000000e-03
-
-JOB 19
-COORDS  1.8721200000e-01 -8.7233600000e-01 -1.1225740000e+00 -3.5515900000e-01 -1.3591990000e+00 -1.7430820000e+00  4.3356300000e-01 -7.5766000000e-02 -1.5927010000e+00 -1.5459400000e-01  9.2721200000e-01  1.2093110000e+00 -1.8708100000e-01  6.0255500000e-01  3.0943700000e-01 -3.4773100000e-01  1.6013100000e-01  1.7483070000e+00
-ENERGY -1.526577337853e+02
-FORCES -4.3860000000e-04 -7.1360000000e-04 -5.1465000000e-03  3.0956000000e-03  2.3737000000e-03  2.8418000000e-03 -3.7108000000e-03 -2.4963000000e-03  5.8327000000e-03 -4.5410000000e-04 -1.0257200000e-02 -4.4758000000e-03  1.4195000000e-03  7.6980000000e-03  8.2700000000e-04  8.8400000000e-05  3.3954000000e-03  1.2090000000e-04
-
-JOB 20
-COORDS -7.2140400000e-01 -1.1841410000e+00  3.4411400000e-01 -3.1814500000e-01 -1.7633410000e+00 -3.0252500000e-01 -1.5022920000e+00 -1.6554290000e+00  6.3451600000e-01  7.8802200000e-01  1.2102470000e+00 -3.5599800000e-01  4.6475200000e-01  2.1096390000e+00 -4.0912300000e-01  2.0361100000e-01  7.8171600000e-01  2.6934700000e-01
-ENERGY -1.526599534879e+02
-FORCES  5.8500000000e-05 -3.8553000000e-03 -3.3641000000e-03 -3.0267000000e-03  1.0809000000e-03  3.7379000000e-03  3.3128000000e-03  1.7518000000e-03 -1.8515000000e-03 -5.7809000000e-03 -2.5964000000e-03  3.0859000000e-03  4.3330000000e-04 -3.3844000000e-03  5.4040000000e-04  5.0030000000e-03  7.0034000000e-03 -2.1485000000e-03
-
-JOB 21
-COORDS -3.5577200000e-01 -3.6145300000e-01 -1.3995270000e+00 -1.2093130000e+00 -4.2319000000e-01 -1.8283480000e+00 -5.5578800000e-01 -3.7631100000e-01 -4.6357600000e-01  4.4725900000e-01  3.4811100000e-01  1.3080740000e+00  3.1464100000e-01 -1.5355400000e-01  2.1124230000e+00  3.7008000000e-02  1.1950490000e+00  1.4830690000e+00
-ENERGY -1.526582238041e+02
-FORCES -2.3420000000e-04  4.0750000000e-04  6.6567000000e-03  2.9569000000e-03  7.8380000000e-04  2.9558000000e-03 -4.4530000000e-03 -1.9208000000e-03 -8.3885000000e-03  1.1181000000e-03  3.5734000000e-03  4.3526000000e-03 -3.3290000000e-04  2.2022000000e-03 -4.7305000000e-03  9.4500000000e-04 -5.0461000000e-03 -8.4610000000e-04
-
-JOB 22
-COORDS -1.3981750000e+00 -5.7397900000e-01  1.8041800000e-01 -1.8481650000e+00  1.9955900000e-01  5.2009400000e-01 -5.7757500000e-01 -2.3606700000e-01 -1.7827900000e-01  1.4181240000e+00  5.0199600000e-01 -2.3855400000e-01  1.0040040000e+00 -6.5209000000e-02  4.1184100000e-01  1.2318440000e+00  1.3906080000e+00  6.4595000000e-02
-ENERGY -1.526543366195e+02
-FORCES  2.0105000000e-03  6.0310000000e-03 -3.9538000000e-03  2.7269000000e-03 -2.9221000000e-03 -9.5460000000e-04  2.8390000000e-04 -3.6945000000e-03  9.5907000000e-03  9.8740000000e-04  2.1344000000e-03  6.2969000000e-03 -5.4978000000e-03  3.3151000000e-03 -8.9734000000e-03 -5.1080000000e-04 -4.8639000000e-03 -2.0059000000e-03
-
-JOB 23
-COORDS -2.8697300000e-01  4.5460400000e-01 -1.4449480000e+00 -2.0518200000e-01 -2.3264900000e-01 -7.8371700000e-01  2.5953600000e-01  1.1689710000e+00 -1.1174750000e+00  2.2527400000e-01 -4.0393600000e-01  1.3847160000e+00 -1.2355500000e-01 -1.2728730000e+00  1.5834590000e+00  1.1749690000e+00 -5.2313700000e-01  1.3745920000e+00
-ENERGY -1.526579791681e+02
-FORCES  2.2719000000e-03 -3.7500000000e-05  1.1192200000e-02 -5.5650000000e-04 -8.7180000000e-04 -7.6661000000e-03 -6.9890000000e-04 -1.4460000000e-03 -2.8544000000e-03  2.2441000000e-03 -2.9278000000e-03  3.7616000000e-03  1.9077000000e-03  4.3498000000e-03 -2.8479000000e-03 -5.1683000000e-03  9.3330000000e-04 -1.5854000000e-03
-
-JOB 24
-COORDS  1.1657000000e-02  1.2737750000e+00  6.1995000000e-01  2.0835400000e-01  1.7140330000e+00  1.4468210000e+00 -2.5575300000e-01  1.9788260000e+00  3.0352000000e-02  2.3654000000e-02 -1.4134350000e+00 -6.2691500000e-01  2.8098200000e-01 -5.7048000000e-01 -2.5349800000e-01 -7.4307000000e-01 -1.2139270000e+00 -1.1640960000e+00
-ENERGY -1.526601945543e+02
-FORCES -2.6960000000e-04  3.5386000000e-03  2.1506000000e-03 -1.3825000000e-03 -7.2090000000e-04 -4.2631000000e-03  1.0325000000e-03 -3.5320000000e-03  2.8582000000e-03 -2.3442000000e-03  8.8555000000e-03  3.2491000000e-03  6.1340000000e-04 -7.4342000000e-03 -4.8906000000e-03  2.3503000000e-03 -7.0710000000e-04  8.9570000000e-04
-
-JOB 25
-COORDS -1.1486400000e-01  3.2371000000e-02  1.5344250000e+00 -1.6504300000e-01  6.8516000000e-02  5.7922500000e-01  6.0576100000e-01 -5.7145800000e-01  1.7142100000e+00  5.7943000000e-02 -4.7510000000e-03 -1.4295470000e+00  6.1066800000e-01  6.6118400000e-01 -1.8385170000e+00 -1.9207900000e-01 -5.8418000000e-01 -2.1492570000e+00
-ENERGY -1.526615083734e+02
-FORCES  2.2816000000e-03 -2.6038000000e-03 -8.7778000000e-03 -1.7160000000e-04  1.3934000000e-03  9.2461000000e-03 -2.0146000000e-03  1.8119000000e-03 -2.3800000000e-05  3.6080000000e-04 -1.4570000000e-04 -3.9824000000e-03 -2.6092000000e-03 -3.7584000000e-03  1.3027000000e-03  2.1531000000e-03  3.3026000000e-03  2.2351000000e-03
-
-JOB 26
-COORDS -7.1409500000e-01  1.2256500000e+00  5.7909500000e-01 -6.1865000000e-02  1.8109360000e+00  9.6415100000e-01 -2.0117900000e-01  5.1601900000e-01  1.9234900000e-01  6.1932300000e-01 -1.1641340000e+00 -6.0582600000e-01  1.0711660000e+00 -1.2510830000e+00  2.3352500000e-01  6.9316000000e-01 -2.0291980000e+00 -1.0088690000e+00
-ENERGY -1.526583621019e+02
-FORCES  3.9771000000e-03 -3.3243000000e-03 -4.1492000000e-03 -1.6335000000e-03 -3.1759000000e-03 -1.1513000000e-03 -2.2200000000e-04  5.6636000000e-03  7.3295000000e-03  2.8040000000e-04 -5.6828000000e-03 -6.0650000000e-04 -3.4501000000e-03  3.2664000000e-03 -4.0854000000e-03  1.0481000000e-03  3.2530000000e-03  2.6629000000e-03
-
-JOB 27
-COORDS -1.1019910000e+00  9.3421500000e-01 -1.0735300000e-01 -1.7373480000e+00  1.3680210000e+00  4.6217900000e-01 -1.1525370000e+00  1.4151580000e+00 -9.3341000000e-01  1.1960410000e+00 -9.9562300000e-01  8.7575000000e-02  7.6723400000e-01 -1.4137800000e-01  1.3876900000e-01  6.2167400000e-01 -1.5823380000e+00  5.7961100000e-01
-ENERGY -1.526600438896e+02
-FORCES -3.4473000000e-03  3.1655000000e-03 -1.6242000000e-03  2.5088000000e-03 -2.0598000000e-03 -3.1326000000e-03  1.8650000000e-04 -1.7117000000e-03  4.4840000000e-03 -9.0532000000e-03  3.9755000000e-03  1.6792000000e-03  7.0538000000e-03 -4.0167000000e-03 -4.3330000000e-04  2.7513000000e-03  6.4720000000e-04 -9.7320000000e-04
-
-JOB 28
-COORDS -5.9728300000e-01 -8.9917300000e-01 -1.0999030000e+00 -1.8880400000e-01 -1.1068300000e-01 -7.4260800000e-01  8.1139000000e-02 -1.2936110000e+00 -1.6479850000e+00  5.0102500000e-01  8.3961400000e-01  1.0664280000e+00  1.0397110000e+00  5.7629800000e-01  1.8125610000e+00  4.8115800000e-01  1.7956030000e+00  1.1102720000e+00
-ENERGY -1.526591648522e+02
-FORCES  5.4251000000e-03  4.0262000000e-03  3.9830000000e-03 -3.4554000000e-03 -3.4412000000e-03 -7.6034000000e-03 -2.0212000000e-03  1.3056000000e-03  2.1421000000e-03  1.8939000000e-03  2.2670000000e-04  5.1225000000e-03 -2.0540000000e-03  2.6150000000e-03 -2.8337000000e-03  2.1170000000e-04 -4.7323000000e-03 -8.1050000000e-04
-
-JOB 29
-COORDS -1.1156580000e+00 -9.3158600000e-01  2.3641900000e-01 -1.0900810000e+00 -1.5115650000e+00  9.9747200000e-01 -1.5591520000e+00 -1.4430570000e+00 -4.4029500000e-01  1.1673760000e+00  1.0292640000e+00 -2.8465000000e-01  3.5278600000e-01  5.3841600000e-01 -3.9302000000e-01  1.4752000000e+00  7.9321000000e-01  5.9042400000e-01
-ENERGY -1.526600109170e+02
-FORCES -1.4910000000e-03 -4.9051000000e-03  1.3342000000e-03 -4.7350000000e-04  2.1988000000e-03 -3.6335000000e-03  2.2182000000e-03  2.3051000000e-03  3.3524000000e-03 -6.0889000000e-03 -6.3759000000e-03  4.3578000000e-03  5.6227000000e-03  5.5273000000e-03 -3.1150000000e-03  2.1230000000e-04  1.2499000000e-03 -2.2959000000e-03
-
-JOB 30
-COORDS -3.0497600000e-01 -5.4688000000e-02 -1.5502050000e+00 -7.7658400000e-01  7.1429800000e-01 -1.2300850000e+00 -4.3008300000e-01 -7.1420100000e-01 -8.6783900000e-01  2.7310000000e-01  3.6161000000e-02  1.4710760000e+00  9.3244300000e-01  7.2407800000e-01  1.3801480000e+00  5.9272800000e-01 -5.0910100000e-01  2.1899350000e+00
-ENERGY -1.526579218500e+02
-FORCES -1.9101000000e-03  7.1900000000e-05  9.0808000000e-03  1.8660000000e-03 -1.4221000000e-03 -2.6939000000e-03 -6.8820000000e-04  1.3360000000e-04 -6.1199000000e-03  5.2507000000e-03  1.7354000000e-03  1.7388000000e-03 -3.3317000000e-03 -2.5926000000e-03  1.6257000000e-03 -1.1868000000e-03  2.0737000000e-03 -3.6316000000e-03
-
-JOB 31
-COORDS  3.2613100000e-01  1.2690450000e+00 -9.0051800000e-01 -1.8189200000e-01  4.7209900000e-01 -7.4879100000e-01  3.9982800000e-01  1.6747700000e+00 -3.6696000000e-02 -3.0219600000e-01 -1.2024400000e+00  7.9101700000e-01  1.3663800000e-01 -2.0524540000e+00  8.2469300000e-01 -7.3738500000e-01 -1.1232330000e+00  1.6398790000e+00
-ENERGY -1.526591013999e+02
-FORCES -1.7230000000e-03 -6.1960000000e-03  7.1958000000e-03  7.6550000000e-04  5.9941000000e-03 -4.5885000000e-03 -1.8910000000e-04  4.7160000000e-04 -2.8952000000e-03  1.2118000000e-03 -3.7162000000e-03  3.2888000000e-03 -2.4712000000e-03  3.5587000000e-03  6.9810000000e-04  2.4062000000e-03 -1.1220000000e-04 -3.6990000000e-03
-
-JOB 32
-COORDS  8.7562000000e-02  1.3167310000e+00 -6.9046600000e-01 -4.0502900000e-01  1.1533620000e+00 -1.4947650000e+00  1.3039800000e-01  2.2707200000e+00 -6.2486500000e-01 -1.7896000000e-02 -1.3982250000e+00  7.6517900000e-01 -9.5896500000e-01 -1.5504090000e+00  6.7880200000e-01  1.4510500000e-01 -6.0609500000e-01  2.5313200000e-01
-ENERGY -1.526598721082e+02
-FORCES -7.4010000000e-04  5.5172000000e-03 -1.7347000000e-03  1.9381000000e-03  2.6500000000e-05  4.5811000000e-03 -8.7430000000e-04 -3.8998000000e-03 -1.7979000000e-03 -2.1300000000e-03  7.0858000000e-03 -2.7211000000e-03  2.9333000000e-03  1.6310000000e-04 -1.6930000000e-04 -1.1271000000e-03 -8.8928000000e-03  1.8419000000e-03
-
-JOB 33
-COORDS -7.2780100000e-01  1.3551420000e+00 -4.8470800000e-01 -8.7587800000e-01  5.8646100000e-01  6.6141000000e-02  6.3219000000e-02  1.1457030000e+00 -9.8135200000e-01  6.5325500000e-01 -1.3161800000e+00  5.3829600000e-01  7.2734500000e-01 -1.8399860000e+00 -2.5943200000e-01  1.1758470000e+00 -5.3402200000e-01  3.6121300000e-01
-ENERGY -1.526559011400e+02
-FORCES  1.5266000000e-03 -6.8601000000e-03  9.9760000000e-04  2.3870000000e-04  6.3165000000e-03 -2.8659000000e-03 -1.0795000000e-03  4.6170000000e-04  2.5903000000e-03  4.5263000000e-03 -8.7320000000e-04 -3.1829000000e-03 -5.2340000000e-04  3.4764000000e-03  3.4513000000e-03 -4.6887000000e-03 -2.5214000000e-03 -9.9050000000e-04
-
-JOB 34
-COORDS -1.4802620000e+00  5.9179900000e-01  1.5220000000e-01 -5.2927000000e-01  6.5945500000e-01  6.6950000000e-02 -1.7467450000e+00  2.7586000000e-02 -5.7366700000e-01  1.4508280000e+00 -5.0450200000e-01 -8.4776000000e-02  1.9406770000e+00 -9.0640200000e-01 -8.0224200000e-01  8.4796500000e-01 -1.1883990000e+00  2.0689300000e-01
-ENERGY -1.526589913176e+02
-FORCES  5.7114000000e-03 -4.6490000000e-04 -4.4701000000e-03 -7.8890000000e-03 -6.0480000000e-04  2.0953000000e-03  8.1110000000e-04  9.8530000000e-04  3.1463000000e-03  1.9742000000e-03 -5.7311000000e-03 -1.2350000000e-03 -2.7147000000e-03  1.1490000000e-03  3.3938000000e-03  2.1070000000e-03  4.6665000000e-03 -2.9304000000e-03
-
-JOB 35
-COORDS  1.1948800000e-01 -1.4670100000e-01 -1.4966180000e+00  8.1152000000e-02 -9.0780700000e-01 -2.0758240000e+00  7.9782100000e-01  4.1090400000e-01 -1.8776330000e+00 -1.4268900000e-01  2.0970800000e-01  1.5916700000e+00 -8.7126000000e-02  2.1579100000e-01  6.3610400000e-01 -3.5824200000e-01 -6.9607500000e-01  1.8137670000e+00
-ENERGY -1.526607300461e+02
-FORCES  2.4056000000e-03 -1.7765000000e-03 -5.0297000000e-03  7.0580000000e-04  3.7321000000e-03  1.8608000000e-03 -3.2504000000e-03 -2.9489000000e-03  1.7720000000e-03 -5.9000000000e-04 -4.2682000000e-03 -7.3876000000e-03  1.2820000000e-04  2.5614000000e-03  8.8487000000e-03  6.0080000000e-04  2.7001000000e-03 -6.4100000000e-05
-
-JOB 36
-COORDS  1.2823320000e+00 -6.3750400000e-01  8.2079800000e-01  1.1169890000e+00  2.9293900000e-01  6.6858000000e-01  6.7221600000e-01 -1.0883120000e+00  2.3705000000e-01 -1.2615080000e+00  5.9341600000e-01 -8.4223800000e-01 -8.5769000000e-01 -3.4348000000e-02 -2.4300900000e-01 -1.2531270000e+00  1.4220490000e+00 -3.6314700000e-01
-ENERGY -1.526510177886e+02
-FORCES -2.3750000000e-04  1.9653000000e-03 -5.0945000000e-03 -1.8292000000e-03 -4.5119000000e-03  1.7811000000e-03 -2.1566000000e-03  4.7326000000e-03  3.6173000000e-03  5.9200000000e-05  1.5295000000e-03  5.5237000000e-03  3.0715000000e-03  1.4470000000e-04 -3.4149000000e-03  1.0926000000e-03 -3.8601000000e-03 -2.4127000000e-03
-
-JOB 37
-COORDS  1.4513400000e-01 -1.2659880000e+00 -9.3770400000e-01  3.8777000000e-02 -2.0334490000e+00 -1.4997750000e+00  1.7538500000e-01 -1.6214000000e+00 -4.9447000000e-02 -1.0982000000e-01  1.3529790000e+00  8.6003600000e-01 -8.3751100000e-01  7.3599700000e-01  9.3768600000e-01  9.4157000000e-02  1.5983020000e+00  1.7625010000e+00
-ENERGY -1.526530582116e+02
-FORCES  1.3970000000e-03 -4.3898000000e-03  1.3139000000e-03  5.8370000000e-04  3.7266000000e-03  2.4790000000e-03 -1.8727000000e-03  1.3083000000e-03 -3.5099000000e-03 -2.9688000000e-03 -1.3049000000e-03  2.0002000000e-03  3.3476000000e-03  2.3538000000e-03  1.7188000000e-03 -4.8690000000e-04 -1.6941000000e-03 -4.0020000000e-03
-
-JOB 38
-COORDS  1.4967600000e-01  4.2816500000e-01 -1.6767500000e+00 -1.2698400000e-01 -4.5264400000e-01 -1.9294680000e+00  1.6786300000e-01  4.0872500000e-01 -7.1992000000e-01 -1.6239300000e-01 -3.2957700000e-01  1.5990160000e+00 -3.8419300000e-01 -1.2544580000e+00  1.7068690000e+00  5.9007500000e-01 -1.9448800000e-01  2.1750150000e+00
-ENERGY -1.526593599246e+02
-FORCES -1.7982000000e-03 -3.7746000000e-03  5.9260000000e-03  1.0039000000e-03  2.7541000000e-03  2.7570000000e-04  1.4392000000e-03  1.6828000000e-03 -8.2274000000e-03  1.5427000000e-03 -3.9461000000e-03  5.6638000000e-03  1.2997000000e-03  4.1498000000e-03 -7.5750000000e-04 -3.4872000000e-03 -8.6600000000e-04 -2.8806000000e-03
-
-JOB 39
-COORDS -6.4945100000e-01  1.2671750000e+00 -1.0286920000e+00 -2.2894200000e-01  1.4583850000e+00 -1.9033400000e-01 -3.4852000000e-02  6.8759200000e-01 -1.4787840000e+00  5.5241400000e-01 -1.2487170000e+00  1.0624100000e+00  8.7224900000e-01 -2.0240550000e+00  6.0112100000e-01  9.5977900000e-01 -5.1269400000e-01  6.0573100000e-01
-ENERGY -1.526515621923e+02
-FORCES  2.3792000000e-03 -2.1907000000e-03  2.1825000000e-03  1.2890000000e-04 -1.5636000000e-03 -4.0676000000e-03 -1.4041000000e-03  2.4523000000e-03  2.7088000000e-03  2.3695000000e-03 -1.1664000000e-03 -3.8169000000e-03 -1.3511000000e-03  3.6344000000e-03  1.8283000000e-03 -2.1223000000e-03 -1.1661000000e-03  1.1650000000e-03
-
-JOB 40
-COORDS -9.9269300000e-01 -7.0607200000e-01  1.2517770000e+00 -5.3335300000e-01 -2.4814600000e-01  1.9557240000e+00 -1.4967270000e+00 -2.2781000000e-02  8.0985500000e-01  1.0517880000e+00  6.0957200000e-01 -1.2932550000e+00  8.4499600000e-01  1.5409830000e+00 -1.2161670000e+00  3.0008000000e-01  1.6373600000e-01 -9.0287300000e-01
-ENERGY -1.526553857093e+02
-FORCES -9.1320000000e-04  3.7818000000e-03  4.6058000000e-03 -2.6444000000e-03 -1.8635000000e-03 -3.4199000000e-03  4.4279000000e-03 -2.9308000000e-03 -2.1840000000e-04 -3.6922000000e-03  1.5000000000e-06  2.6019000000e-03  3.2710000000e-04 -3.7996000000e-03  2.8190000000e-04  2.4948000000e-03  4.8106000000e-03 -3.8513000000e-03
-
-JOB 41
-COORDS -1.3515410000e+00 -1.0577920000e+00 -9.3643000000e-02 -1.9679270000e+00 -6.2227800000e-01 -6.8239400000e-01 -9.1999100000e-01 -1.7140620000e+00 -6.4073200000e-01  1.3482010000e+00  1.1308150000e+00  1.3217200000e-01  2.1935140000e+00  8.4317200000e-01  4.7704800000e-01  7.5554700000e-01  4.0037100000e-01  3.0949900000e-01
-ENERGY -1.526587462211e+02
-FORCES -3.9915000000e-03 -1.6694000000e-03 -5.7575000000e-03  2.6534000000e-03 -2.5692000000e-03  2.5691000000e-03 -1.0359000000e-03  3.4828000000e-03  2.9374000000e-03 -1.2467000000e-03 -4.5167000000e-03  2.6338000000e-03 -3.2171000000e-03  6.6720000000e-04 -1.4816000000e-03  6.8378000000e-03  4.6053000000e-03 -9.0130000000e-04
-
-JOB 42
-COORDS  3.0374800000e-01  3.8991600000e-01 -1.7445700000e+00 -5.4056400000e-01  1.2681000000e-02 -1.4974620000e+00  9.5012100000e-01 -2.4325900000e-01 -1.4322830000e+00 -2.9916700000e-01 -3.8761000000e-01  1.7278030000e+00  2.1478100000e-01  2.9297400000e-01  2.1624220000e+00 -6.8063200000e-01  4.9224000000e-02  9.6629600000e-01
-ENERGY -1.526553449203e+02
-FORCES  3.7630000000e-04 -5.7843000000e-03  6.0000000000e-04  3.1884000000e-03  3.0153000000e-03  1.2406000000e-03 -2.8968000000e-03  3.5183000000e-03 -1.8317000000e-03  9.4730000000e-04  6.2898000000e-03 -7.3540000000e-04 -2.0917000000e-03 -3.2725000000e-03 -1.3484000000e-03  4.7640000000e-04 -3.7665000000e-03  2.0750000000e-03
-
-JOB 43
-COORDS  4.4916800000e-01  1.6779480000e+00  6.1815300000e-01 -3.6353700000e-01  1.5242990000e+00  1.3634800000e-01  9.4438800000e-01  8.6484400000e-01  5.1890100000e-01 -3.6503400000e-01 -1.5837340000e+00 -5.6713500000e-01 -8.6527900000e-01 -2.1571480000e+00  1.3540000000e-02 -8.8720600000e-01 -1.5386840000e+00 -1.3680960000e+00
-ENERGY -1.526576087341e+02
-FORCES -1.6171000000e-03 -6.6273000000e-03 -3.0867000000e-03  2.1961000000e-03  2.6521000000e-03  1.6994000000e-03 -2.0930000000e-04  5.2047000000e-03  1.5776000000e-03 -4.4462000000e-03 -4.1553000000e-03 -1.1853000000e-03  2.0541000000e-03  2.5642000000e-03 -2.8156000000e-03  2.0225000000e-03  3.6160000000e-04  3.8107000000e-03
-
-JOB 44
-COORDS -7.0346000000e-02 -3.3745000000e-02 -1.7746520000e+00  5.4330500000e-01 -5.8088600000e-01 -2.2648570000e+00 -9.2874900000e-01 -4.1898400000e-01 -1.9506260000e+00  1.4362100000e-01  1.1020300000e-01  1.8538120000e+00  6.0464000000e-02 -7.1131500000e-01  1.3696390000e+00 -6.7393800000e-01  5.7604700000e-01  1.6782610000e+00
-ENERGY -1.526545178751e+02
-FORCES  1.4200000000e-05 -2.9813000000e-03 -4.3023000000e-03 -2.9190000000e-03  2.0911000000e-03  2.2962000000e-03  3.6144000000e-03  1.5316000000e-03  1.9754000000e-03 -3.1792000000e-03 -6.4550000000e-04 -5.7618000000e-03  2.2000000000e-05  1.9025000000e-03  3.8041000000e-03  2.4476000000e-03 -1.8985000000e-03  1.9884000000e-03
-
-JOB 45
-COORDS -2.4942200000e-01 -1.4072810000e+00 -1.1930730000e+00  4.1605000000e-01 -1.1058640000e+00 -1.8115590000e+00  2.8695000000e-02 -1.0515770000e+00 -3.4906000000e-01  2.0382400000e-01  1.4446640000e+00  1.1643680000e+00  8.9938400000e-01  7.9422100000e-01  1.0676690000e+00 -5.4492600000e-01  9.4806500000e-01  1.4945120000e+00
-ENERGY -1.526528176064e+02
-FORCES  3.5544000000e-03  4.0462000000e-03 -1.5130000000e-04 -2.5344000000e-03 -1.8470000000e-03  2.7954000000e-03 -4.1240000000e-04 -2.0371000000e-03 -1.7077000000e-03 -7.4000000000e-04 -2.9245000000e-03  2.3736000000e-03 -4.1042000000e-03  1.2862000000e-03 -1.2861000000e-03  4.2367000000e-03  1.4762000000e-03 -2.0239000000e-03
-
-JOB 46
-COORDS -1.6191310000e+00  6.6285100000e-01  5.1302200000e-01 -9.8537600000e-01  1.3460460000e+00  7.3172600000e-01 -2.0356320000e+00  9.7066800000e-01 -2.9196700000e-01  1.6585770000e+00 -7.3884000000e-01 -4.5081200000e-01  8.6716200000e-01 -3.9094200000e-01 -3.9885000000e-02  1.4744830000e+00 -7.0897600000e-01 -1.3896670000e+00
-ENERGY -1.526566338508e+02
-FORCES -2.5994000000e-03  5.7734000000e-03 -1.3991000000e-03 -1.5837000000e-03 -4.8038000000e-03 -1.9431000000e-03  2.4129000000e-03 -1.5369000000e-03  3.4922000000e-03 -5.7778000000e-03  4.1420000000e-04 -1.7014000000e-03  6.4586000000e-03 -4.9800000000e-05 -1.8105000000e-03  1.0893000000e-03  2.0280000000e-04  3.3618000000e-03
-
-JOB 47
-COORDS  1.7694750000e+00  7.3745000000e-02  2.1692100000e-01  1.5397790000e+00  5.5446000000e-01  1.0121470000e+00  2.6917580000e+00 -1.5481800000e-01  3.3261500000e-01 -1.7934760000e+00 -1.6131000000e-01 -2.5975300000e-01 -2.5340870000e+00  3.7047000000e-01  3.1688000000e-02 -1.2137530000e+00  4.5749200000e-01 -7.0386800000e-01
-ENERGY -1.526549887315e+02
-FORCES  3.0294000000e-03 -2.4120000000e-04  4.4550000000e-03  1.3029000000e-03 -1.0815000000e-03 -3.8063000000e-03 -3.8054000000e-03  1.0103000000e-03 -2.7990000000e-04  5.7720000000e-04  4.1005000000e-03 -1.7456000000e-03  3.2889000000e-03 -2.1056000000e-03 -7.7850000000e-04 -4.3931000000e-03 -1.6824000000e-03  2.1553000000e-03
-
-JOB 48
-COORDS -1.4154550000e+00  5.0040500000e-01 -1.0786850000e+00 -2.3666480000e+00  4.4984000000e-01 -9.8430700000e-01 -1.0733330000e+00  6.7311000000e-02 -2.9662700000e-01  1.4045290000e+00 -5.2607500000e-01  1.0408670000e+00  1.7458270000e+00 -1.4405700000e-01  2.3228200000e-01  1.8329910000e+00 -3.1504000000e-02  1.7394750000e+00
-ENERGY -1.526579386312e+02
-FORCES -2.1446000000e-03 -2.5765000000e-03  4.3470000000e-03  3.5731000000e-03  2.4420000000e-04 -2.4520000000e-04 -3.0354000000e-03  2.7961000000e-03 -5.3046000000e-03  5.3472000000e-03  3.5072000000e-03  9.7900000000e-05 -2.1034000000e-03 -1.7959000000e-03  4.1022000000e-03 -1.6369000000e-03 -2.1752000000e-03 -2.9973000000e-03
-
-JOB 49
-COORDS -1.4249310000e+00 -1.1584940000e+00 -2.2730000000e-01 -1.0658650000e+00 -8.5633400000e-01 -1.0615680000e+00 -1.6958420000e+00 -2.0610290000e+00 -3.9543400000e-01  1.4153960000e+00  1.1858030000e+00  2.1202600000e-01  1.5271190000e+00  4.6641600000e-01  8.3350200000e-01  1.3562740000e+00  1.9688190000e+00  7.5940300000e-01
-ENERGY -1.526558520047e+02
-FORCES  4.4160000000e-04 -1.3083000000e-03 -4.8665000000e-03 -2.4674000000e-03 -2.6410000000e-03  3.2093000000e-03  1.3371000000e-03  3.6584000000e-03  8.6070000000e-04 -8.0040000000e-04 -1.8860000000e-04  5.5829000000e-03  9.1900000000e-04  3.4497000000e-03 -2.6102000000e-03  5.7020000000e-04 -2.9703000000e-03 -2.1762000000e-03
-
-JOB 50
-COORDS  3.1989400000e-01 -4.6130200000e-01  1.8022110000e+00  1.1889040000e+00 -6.8889100000e-01  2.1327530000e+00  2.4542800000e-01  4.8117600000e-01  1.9519500000e+00 -3.1294500000e-01  3.7329400000e-01 -1.8144240000e+00 -3.0232300000e-01  1.3110190000e+00 -1.6226120000e+00 -1.1567570000e+00  2.2521300000e-01 -2.2413720000e+00
-ENERGY -1.526524276780e+02
-FORCES  3.4887000000e-03  2.8128000000e-03  6.4150000000e-04 -3.6035000000e-03  9.1190000000e-04 -1.0872000000e-03  1.0680000000e-04 -3.4417000000e-03 -2.9840000000e-04 -3.7087000000e-03  2.4843000000e-03 -1.9750000000e-04  1.7750000000e-04 -3.5034000000e-03 -5.7500000000e-04  3.5392000000e-03  7.3610000000e-04  1.5165000000e-03
-
-JOB 51
-COORDS  9.5975700000e-01 -1.0666090000e+00  1.2826120000e+00  7.6533500000e-01 -2.4431000000e-01  1.7323400000e+00  2.5746100000e-01 -1.6589350000e+00  1.5512430000e+00 -9.3507200000e-01  1.0509380000e+00 -1.2671420000e+00 -1.3669100000e-01  6.2808900000e-01 -1.5834010000e+00 -1.2867130000e+00  1.5036160000e+00 -2.0337340000e+00
-ENERGY -1.526561361889e+02
-FORCES -4.7137000000e-03  1.4066000000e-03  3.1569000000e-03  1.5854000000e-03 -3.7570000000e-03 -1.3326000000e-03  3.2020000000e-03  1.9789000000e-03 -7.8740000000e-04  2.4379000000e-03 -5.5690000000e-04 -4.4102000000e-03 -3.9507000000e-03  2.8372000000e-03  2.7500000000e-04  1.4391000000e-03 -1.9088000000e-03  3.0982000000e-03
-
-JOB 52
-COORDS -1.7875440000e+00  2.9276300000e-01 -7.3750000000e-01 -1.6597970000e+00 -2.1066800000e-01 -1.5415340000e+00 -1.1897150000e+00  1.0355360000e+00 -8.2188600000e-01  1.6784590000e+00 -3.0765200000e-01  7.6123200000e-01  1.9655720000e+00 -8.7230000000e-03  1.6240400000e+00  2.4819470000e+00 -5.9375500000e-01  3.2674000000e-01
-ENERGY -1.526541023836e+02
-FORCES  5.0863000000e-03  2.8260000000e-04 -2.5394000000e-03 -1.0898000000e-03  2.0328000000e-03  2.6333000000e-03 -3.7237000000e-03 -1.9822000000e-03 -4.8140000000e-04  4.3290000000e-03 -5.8190000000e-04  2.7302000000e-03 -1.0054000000e-03 -1.0782000000e-03 -3.8078000000e-03 -3.5963000000e-03  1.3269000000e-03  1.4651000000e-03
-
-JOB 53
-COORDS  1.2231740000e+00 -1.6152800000e+00  4.0712000000e-02  1.6284360000e+00 -1.1258500000e+00 -6.7514700000e-01  4.3690900000e-01 -1.1147710000e+00  2.5868200000e-01 -1.1499820000e+00  1.5053530000e+00 -1.0984000000e-02 -1.1603920000e+00  2.3239400000e+00  4.8503900000e-01 -1.9757480000e+00  1.5075590000e+00 -4.9506800000e-01
-ENERGY -1.526574688169e+02
-FORCES -2.4438000000e-03  5.5913000000e-03 -1.8459000000e-03 -8.1420000000e-04 -2.5391000000e-03  2.4052000000e-03  3.9580000000e-03 -4.4521000000e-03 -6.1520000000e-04 -4.0150000000e-03  4.7255000000e-03  2.9940000000e-04 -2.7850000000e-04 -3.3326000000e-03 -2.3581000000e-03  3.5936000000e-03  7.0000000000e-06  2.1146000000e-03
-
-JOB 54
-COORDS  1.1982140000e+00 -1.4737830000e+00  5.5959400000e-01  1.2708880000e+00 -2.0493770000e+00  1.3209370000e+00  2.9850100000e-01 -1.1484500000e+00  5.8971200000e-01 -1.1643980000e+00  1.4415160000e+00 -5.6896200000e-01 -1.5760750000e+00  1.6828100000e+00 -1.3987400000e+00 -5.0099500000e-01  2.1163550000e+00 -4.2501600000e-01
-ENERGY -1.526566853638e+02
-FORCES -4.3052000000e-03 -3.3790000000e-04  2.5385000000e-03 -2.6040000000e-04  2.2709000000e-03 -2.9284000000e-03  4.9863000000e-03 -3.0832000000e-03  1.0683000000e-03  1.1899000000e-03  4.4698000000e-03 -3.6332000000e-03  1.6135000000e-03 -6.8850000000e-04  3.5025000000e-03 -3.2241000000e-03 -2.6311000000e-03 -5.4770000000e-04
-
-JOB 55
-COORDS  4.0088300000e-01 -1.3168040000e+00  1.4026250000e+00  3.7099000000e-01 -2.2371910000e+00  1.6638250000e+00  9.6559800000e-01 -1.3048690000e+00  6.2984700000e-01 -3.7581100000e-01  1.3861250000e+00 -1.3920590000e+00 -1.2103190000e+00  1.4511350000e+00 -1.8563900000e+00 -5.8626600000e-01  9.1677000000e-01 -5.8481300000e-01
-ENERGY -1.526566299814e+02
-FORCES  3.1469000000e-03 -4.8318000000e-03 -1.2090000000e-03  3.1470000000e-04  3.7644000000e-03 -1.1202000000e-03 -3.4116000000e-03  2.3040000000e-04  3.4657000000e-03 -4.8587000000e-03 -1.3076000000e-03  2.2033000000e-03  3.3167000000e-03 -2.1470000000e-04  1.6888000000e-03  1.4920000000e-03  2.3593000000e-03 -5.0286000000e-03
-
-JOB 56
-COORDS  1.5041180000e+00  1.1033030000e+00 -6.7645000000e-01  1.6367110000e+00  1.8986100000e-01 -4.2292600000e-01  2.2701320000e+00  1.3182660000e+00 -1.2086580000e+00 -1.5769980000e+00 -1.1187580000e+00  7.3072600000e-01 -1.0516060000e+00 -1.1707100000e+00 -6.7707000000e-02 -1.7062730000e+00 -1.8096100000e-01  8.7234700000e-01
-ENERGY -1.526553789937e+02
-FORCES  5.1230000000e-03 -2.0738000000e-03 -1.0307000000e-03 -1.7274000000e-03  3.6394000000e-03 -1.7655000000e-03 -3.1964000000e-03 -1.0430000000e-03  2.3015000000e-03  9.1050000000e-04  4.7099000000e-03 -3.0695000000e-03 -1.1851000000e-03 -7.7140000000e-04  3.6608000000e-03  7.5400000000e-05 -4.4611000000e-03 -9.6500000000e-05
-
-JOB 57
-COORDS -1.7035000000e+00  1.0619130000e+00 -9.5170000000e-02 -2.5567200000e+00  7.4940800000e-01  2.0580800000e-01 -1.6653930000e+00  8.0550300000e-01 -1.0166010000e+00  1.7638860000e+00 -1.0115890000e+00  7.7829000000e-02  1.0809010000e+00 -6.1414400000e-01  6.1801400000e-01  2.0944390000e+00 -1.7386340000e+00  6.0544000000e-01
-ENERGY -1.526563373570e+02
-FORCES -4.0938000000e-03 -1.5724000000e-03 -3.6036000000e-03  3.7096000000e-03  1.1426000000e-03 -1.1067000000e-03 -5.7350000000e-04  1.1147000000e-03  4.2604000000e-03 -1.9366000000e-03 -3.8350000000e-04  4.5692000000e-03  4.2775000000e-03 -3.0722000000e-03 -2.0586000000e-03 -1.3830000000e-03  2.7708000000e-03 -2.0606000000e-03
-
-JOB 58
-COORDS -4.7303300000e-01 -1.9373680000e+00 -5.8437200000e-01 -4.7615400000e-01 -1.4284370000e+00 -1.3950580000e+00 -1.1606900000e+00 -1.5408640000e+00 -4.9448000000e-02  4.7031500000e-01  1.9203880000e+00  5.6174600000e-01  2.4013900000e-01  1.4484320000e+00  1.3620630000e+00  1.4106650000e+00  1.7741070000e+00  4.5890100000e-01
-ENERGY -1.526553151876e+02
-FORCES -3.0214000000e-03  4.6396000000e-03 -1.6851000000e-03  4.5900000000e-05 -2.9016000000e-03  2.9782000000e-03  2.7852000000e-03 -2.0784000000e-03 -1.4772000000e-03  3.7837000000e-03 -2.7712000000e-03  3.1332000000e-03  2.8670000000e-04  2.0422000000e-03 -3.3253000000e-03 -3.8801000000e-03  1.0693000000e-03  3.7610000000e-04
-
-JOB 59
-COORDS -1.3633670000e+00 -1.1485880000e+00  1.0873800000e+00 -1.5158300000e+00 -7.2583300000e-01  2.4223900000e-01 -1.3187850000e+00 -4.2541400000e-01  1.7128910000e+00  1.4134860000e+00  1.1215910000e+00 -1.1115760000e+00  1.1566510000e+00  1.1957430000e+00 -1.9246300000e-01  9.1883800000e-01  3.7041600000e-01 -1.4391290000e+00
-ENERGY -1.526537713427e+02
-FORCES -2.1837000000e-03  4.0938000000e-03 -3.7300000000e-05  2.1018000000e-03 -1.6351000000e-03  3.3187000000e-03  5.1480000000e-04 -2.9190000000e-03 -3.1433000000e-03 -1.8342000000e-03 -3.6130000000e-03  2.6364000000e-03  2.8850000000e-04  3.3230000000e-04 -3.9706000000e-03  1.1129000000e-03  3.7409000000e-03  1.1962000000e-03
-
-JOB 60
-COORDS -2.5631500000e-01  4.3443100000e-01 -2.0360930000e+00 -6.9588000000e-01  1.1509710000e+00 -2.4938980000e+00 -7.5776800000e-01  3.2219000000e-01 -1.2285180000e+00  2.5802200000e-01 -4.7157400000e-01  1.9866370000e+00  5.4176600000e-01 -8.2032200000e-01  2.8316790000e+00  1.0551470000e+00 -1.1564100000e-01  1.5940370000e+00
-ENERGY -1.526560995643e+02
-FORCES -4.4603000000e-03  1.9621000000e-03  1.7189000000e-03  1.8046000000e-03 -2.8195000000e-03  1.7726000000e-03  2.4781000000e-03  1.1706000000e-03 -4.4308000000e-03  4.9403000000e-03 -4.8400000000e-04  2.3160000000e-03 -9.6910000000e-04  1.5305000000e-03 -3.3729000000e-03 -3.7936000000e-03 -1.3597000000e-03  1.9961000000e-03
-
-JOB 61
-COORDS  2.0294040000e+00 -4.3141200000e-01 -6.6039800000e-01  1.3044530000e+00 -1.0564380000e+00 -6.6504900000e-01  2.8143430000e+00 -9.7373600000e-01 -7.3777800000e-01 -1.9741870000e+00  5.3332400000e-01  6.7854500000e-01 -2.1735640000e+00 -3.9461500000e-01  8.0268200000e-01 -2.7825180000e+00  9.0770100000e-01  3.2829400000e-01
-ENERGY -1.526533659334e+02
-FORCES -4.4620000000e-04 -4.3431000000e-03 -8.6600000000e-05  3.4208000000e-03  1.7425000000e-03 -1.9040000000e-04 -3.2288000000e-03  2.2773000000e-03  3.3910000000e-04 -4.4139000000e-03 -1.5496000000e-03 -7.3830000000e-04  1.3370000000e-03  3.5287000000e-03 -8.7410000000e-04  3.3311000000e-03 -1.6558000000e-03  1.5504000000e-03
-
-JOB 62
-COORDS -1.6728550000e+00  1.3992160000e+00  3.9368200000e-01 -2.0425890000e+00  2.2671270000e+00  2.3163700000e-01 -1.0865420000e+00  1.5236540000e+00  1.1399970000e+00  1.6143190000e+00 -1.4885960000e+00 -4.3970600000e-01  1.6172430000e+00 -5.4120500000e-01 -3.0305100000e-01  2.5269570000e+00 -1.7511780000e+00 -3.1981500000e-01
-ENERGY -1.526537510743e+02
-FORCES -2.6600000000e-05  3.9514000000e-03  2.6463000000e-03  1.6500000000e-03 -3.6467000000e-03  6.8710000000e-04 -1.7854000000e-03 -4.3140000000e-04 -3.5226000000e-03  3.1444000000e-03  3.0431000000e-03  5.8100000000e-04  8.0110000000e-04 -4.0059000000e-03  2.6500000000e-05 -3.7835000000e-03  1.0895000000e-03 -4.1830000000e-04
-
-JOB 63
-COORDS -2.4123600000e-01 -1.8806480000e+00  1.3130210000e+00 -4.0807300000e-01 -1.0276530000e+00  9.1202600000e-01 -1.7295800000e-01 -1.6962160000e+00  2.2498000000e+00  2.5728700000e-01  1.7667100000e+00 -1.2980920000e+00 -9.9973000000e-02  2.6410990000e+00 -1.1430390000e+00  4.5102200000e-01  1.7493470000e+00 -2.2353200000e+00
-ENERGY -1.526557550701e+02
-FORCES -3.9000000000e-06  4.9573000000e-03  1.3601000000e-03  6.1700000000e-05 -4.5634000000e-03  2.7626000000e-03 -3.6110000000e-04 -8.4100000000e-04 -3.4894000000e-03 -1.9520000000e-04  3.7697000000e-03 -4.0599000000e-03  1.4059000000e-03 -3.7288000000e-03 -4.8010000000e-04 -9.0740000000e-04  4.0630000000e-04  3.9067000000e-03
-
-JOB 64
-COORDS -5.5970300000e-01 -1.9924590000e+00  1.2158840000e+00  2.2111100000e-01 -2.3576040000e+00  7.9967500000e-01 -7.1705700000e-01 -2.5599560000e+00  1.9704820000e+00  5.5971100000e-01  2.0010580000e+00 -1.1954930000e+00  3.1470700000e-01  2.9040460000e+00 -9.9346200000e-01  2.1358600000e-01  1.8495180000e+00 -2.0749610000e+00
-ENERGY -1.526536410994e+02
-FORCES  3.0605000000e-03 -3.2660000000e-03  1.1622000000e-03 -3.3959000000e-03  9.4480000000e-04  1.7671000000e-03  5.2710000000e-04  2.3456000000e-03 -3.0379000000e-03 -3.0339000000e-03  2.8311000000e-03 -2.3406000000e-03  1.1657000000e-03 -3.5272000000e-03 -9.5620000000e-04  1.6765000000e-03  6.7170000000e-04  3.4053000000e-03
-
-JOB 65
-COORDS -5.2741800000e-01 -2.0841710000e+00  1.1975460000e+00 -5.1408700000e-01 -2.8890950000e+00  1.7153800000e+00 -1.3633760000e+00 -2.1120570000e+00  7.3211200000e-01  5.3706800000e-01  2.1722690000e+00 -1.2143410000e+00  6.5188600000e-01  1.3395140000e+00 -1.6721260000e+00  1.1497680000e+00  2.1290240000e+00 -4.8020200000e-01
-ENERGY -1.526548627448e+02
-FORCES -3.7298000000e-03 -3.4068000000e-03  5.1600000000e-04 -4.2100000000e-05  3.2916000000e-03 -2.1566000000e-03  3.6222000000e-03 -7.1700000000e-05  1.7770000000e-03  2.9807000000e-03 -4.1322000000e-03  1.7310000000e-03 -5.7290000000e-04  3.6238000000e-03  1.3271000000e-03 -2.2582000000e-03  6.9530000000e-04 -3.1945000000e-03
-
-JOB 66
-COORDS  1.8232870000e+00 -1.0768190000e+00  1.6859130000e+00  1.0222010000e+00 -1.5009900000e+00  1.3783870000e+00  1.5851340000e+00 -1.5463900000e-01  1.7813030000e+00 -1.8162370000e+00  1.0298540000e+00 -1.7151400000e+00 -1.7721700000e+00  1.6574750000e+00 -9.9376400000e-01 -9.4070800000e-01  6.4472700000e-01 -1.7519910000e+00
-ENERGY -1.526537624561e+02
-FORCES -4.1555000000e-03  1.5838000000e-03 -1.8920000000e-04  3.4421000000e-03  2.1420000000e-03  9.5620000000e-04  8.3810000000e-04 -3.6715000000e-03 -8.6730000000e-04  3.6525000000e-03  1.3957000000e-03  2.0972000000e-03 -1.0400000000e-05 -2.8952000000e-03 -2.7065000000e-03 -3.7668000000e-03  1.4452000000e-03  7.0960000000e-04
-
-JOB 67
-COORDS  1.5367700000e-01 -2.8106890000e+00  8.5896800000e-01 -3.7855200000e-01 -2.1297600000e+00  1.2704290000e+00  9.5257500000e-01 -2.3591320000e+00  5.8677400000e-01 -2.2699000000e-01  2.7600130000e+00 -8.4495900000e-01  1.2649100000e-01  3.2742730000e+00 -1.5707830000e+00  5.1582600000e-01  2.2432510000e+00 -5.3284900000e-01
-ENERGY -1.526538652270e+02
-FORCES  7.3400000000e-04  4.5490000000e-03  5.6320000000e-04  2.4738000000e-03 -2.8241000000e-03 -1.6481000000e-03 -3.1298000000e-03 -1.6557000000e-03  1.0788000000e-03  4.4292000000e-03  3.7810000000e-04 -2.0319000000e-03 -1.4079000000e-03 -2.1564000000e-03  3.0648000000e-03 -3.0993000000e-03  1.7091000000e-03 -1.0268000000e-03
-
-JOB 68
-COORDS -1.6017800000e+00 -5.6954600000e-01  2.5593700000e+00 -9.9847200000e-01 -6.3772800000e-01  1.8193670000e+00 -1.1233740000e+00 -5.9280000000e-02  3.2128140000e+00  1.5574670000e+00  5.1874700000e-01 -2.5006220000e+00  1.3503610000e+00  7.1338000000e-02 -3.3210880000e+00  1.4460050000e+00  1.4484090000e+00 -2.6994600000e+00
-ENERGY -1.526547569685e+02
-FORCES  4.6423000000e-03  1.7592000000e-03 -6.4410000000e-04 -2.7207000000e-03  2.2490000000e-04  3.3368000000e-03 -2.0199000000e-03 -2.0102000000e-03 -2.5025000000e-03 -1.2007000000e-03  1.9904000000e-03 -4.5101000000e-03  8.5110000000e-04  1.8601000000e-03  3.4002000000e-03  4.4790000000e-04 -3.8244000000e-03  9.1970000000e-04
-
-JOB 69
-COORDS  2.2971800000e-01  2.6853640000e+00 -2.4979810000e+00  2.1775000000e-01  3.4941480000e+00 -1.9861630000e+00 -6.5773000000e-01  2.6101570000e+00 -2.8487120000e+00 -1.4763400000e-01 -2.7762070000e+00  2.4929570000e+00 -2.5809100000e-01 -2.0804010000e+00  3.1409420000e+00 -6.7533200000e-01 -2.4942870000e+00  1.7457700000e+00
-ENERGY -1.526540600874e+02
-FORCES -3.5395000000e-03  3.1394000000e-03  4.6020000000e-04 -1.0100000000e-05 -3.3752000000e-03 -2.0218000000e-03  3.5943000000e-03  2.2620000000e-04  1.5522000000e-03 -2.4326000000e-03  4.0922000000e-03 -5.8500000000e-04  3.8380000000e-04 -2.8575000000e-03 -2.5581000000e-03  2.0040000000e-03 -1.2251000000e-03  3.1527000000e-03
-
-JOB 70
-COORDS  1.2703630000e+00 -3.4172550000e+00 -1.0591750000e+00  2.0140400000e+00 -2.8158190000e+00 -1.0211010000e+00  7.9657600000e-01 -3.1632260000e+00 -1.8511510000e+00 -1.2643630000e+00  3.3960450000e+00  1.0439220000e+00 -1.8107980000e+00  2.6543780000e+00  1.3038650000e+00 -1.0134410000e+00  3.8102780000e+00  1.8695620000e+00
-ENERGY -1.526543039131e+02
-FORCES  1.1435000000e-03  3.5806000000e-03 -3.1461000000e-03 -3.0155000000e-03 -2.5242000000e-03 -1.1560000000e-04  1.8941000000e-03 -1.1012000000e-03  3.2466000000e-03 -1.2686000000e-03 -1.3411000000e-03  4.5150000000e-03  2.2454000000e-03  3.0608000000e-03 -1.1152000000e-03 -9.9890000000e-04 -1.6748000000e-03 -3.3847000000e-03
-
-JOB 71
-COORDS -7.1991500000e-01 -2.5570990000e+00 -2.6468680000e+00 -1.4443240000e+00 -2.8825530000e+00 -2.1125060000e+00 -2.6501400000e-01 -3.3463530000e+00 -2.9407660000e+00  7.1024200000e-01  2.6810090000e+00  2.6127350000e+00  3.6073600000e-01  1.7982810000e+00  2.4908010000e+00  1.5484070000e+00  2.5482150000e+00  3.0555400000e+00
-ENERGY -1.526540580320e+02
-FORCES -1.1749000000e-03 -4.5575000000e-03  7.7520000000e-04  3.0249000000e-03  1.3537000000e-03 -2.0715000000e-03 -1.8414000000e-03  3.2311000000e-03  1.2677000000e-03  2.0265000000e-03 -4.2020000000e-03  1.0558000000e-03  1.3808000000e-03  3.6129000000e-03  6.9550000000e-04 -3.4160000000e-03  5.6180000000e-04 -1.7227000000e-03
-
-JOB 72
-COORDS -1.2588630000e+00  3.9185290000e+00 -4.0064500000e-01 -1.4740920000e+00  4.8510470000e+00 -4.1845800000e-01 -2.0437260000e+00  3.4977430000e+00 -4.9703000000e-02  1.3693650000e+00 -3.9272260000e+00  3.9973400000e-01  8.2596100000e-01 -3.6054430000e+00 -3.1957000000e-01  8.2719800000e-01 -4.5857200000e+00  8.3409800000e-01
-ENERGY -1.526540029395e+02
-FORCES -4.0077000000e-03  2.1403000000e-03  1.4337000000e-03  8.5450000000e-04 -3.8181000000e-03  5.5800000000e-05  3.1707000000e-03  1.6712000000e-03 -1.4819000000e-03 -4.3901000000e-03 -1.2398000000e-03 -1.2147000000e-03  2.1756000000e-03 -1.4210000000e-03  2.9583000000e-03  2.1970000000e-03  2.6675000000e-03 -1.7512000000e-03
-
-JOB 73
-COORDS -2.0677270000e+00  3.5655400000e+00  7.6878200000e-01 -2.7027950000e+00  4.2677670000e+00  9.0948700000e-01 -1.7486070000e+00  3.3513600000e+00  1.6454350000e+00  2.0200990000e+00 -3.5845380000e+00 -8.2107600000e-01  2.5483280000e+00 -4.2829090000e+00 -4.3444500000e-01  2.6315570000e+00 -3.1002910000e+00 -1.3759230000e+00
-ENERGY -1.526539914303e+02
-FORCES -1.2974000000e-03  1.8320000000e-03  4.1661000000e-03  2.5971000000e-03 -2.8301000000e-03 -5.8710000000e-04 -1.2988000000e-03  9.7930000000e-04 -3.5616000000e-03  4.6021000000e-03 -7.7050000000e-04 -7.6310000000e-04 -2.1590000000e-03  2.8356000000e-03 -1.5443000000e-03 -2.4440000000e-03 -2.0464000000e-03  2.2899000000e-03
-
-JOB 74
-COORDS -3.5470830000e+00  2.7940540000e+00  1.2700420000e+00 -3.1124690000e+00  1.9473430000e+00  1.1679490000e+00 -3.6300210000e+00  2.9086370000e+00  2.2167330000e+00  3.4610430000e+00 -2.7356980000e+00 -1.3104130000e+00  4.2347860000e+00 -2.1788530000e+00 -1.3968730000e+00  3.8027470000e+00 -3.6290020000e+00 -1.3488680000e+00
-ENERGY -1.526541931580e+02
-FORCES  1.5146000000e-03 -3.0689000000e-03  3.3812000000e-03 -1.8434000000e-03  3.5060000000e-03  4.6800000000e-04  3.1050000000e-04 -4.2960000000e-04 -3.8317000000e-03  4.5898000000e-03 -1.3717000000e-03 -5.9080000000e-04 -3.1656000000e-03 -2.2799000000e-03  3.8810000000e-04 -1.4059000000e-03  3.6441000000e-03  1.8520000000e-04
-
-JOB 75
-COORDS -4.9630000000e-03  4.7436900000e+00  9.2622000000e-01 -4.7468400000e-01  3.9643600000e+00  6.2917000000e-01  9.1939700000e-01  4.4999810000e+00  8.7725600000e-01 -4.4101000000e-02 -4.7510270000e+00 -9.0874700000e-01  2.9004400000e-01 -4.2087170000e+00 -1.6232250000e+00 -1.6908000000e-02 -4.1799470000e+00 -1.4104800000e-01
-ENERGY -1.526539021197e+02
-FORCES  1.8393000000e-03 -4.0688000000e-03 -1.3992000000e-03  1.9590000000e-03  3.1142000000e-03  1.2094000000e-03 -3.7964000000e-03  9.2740000000e-04  1.8710000000e-04  1.4727000000e-03  4.4326000000e-03  2.0880000000e-04 -1.3703000000e-03 -2.1493000000e-03  2.9560000000e-03 -1.0420000000e-04 -2.2561000000e-03 -3.1621000000e-03
-
-JOB 76
-COORDS  1.1336860000e+00 -1.1388710000e+00 -4.5614460000e+00  9.9174100000e-01 -1.9454990000e+00 -5.0568590000e+00  1.3686830000e+00 -1.4354460000e+00 -3.6822120000e+00 -1.1703500000e+00  1.2226510000e+00  4.4855670000e+00 -1.4921300000e+00  1.1909710000e+00  5.3865030000e+00 -2.9151200000e-01  8.4610000000e-01  4.5312390000e+00
-ENERGY -1.526540175630e+02
-FORCES  2.9630000000e-04 -4.4624000000e-03  1.6153000000e-03  6.0470000000e-04  3.2807000000e-03  2.0067000000e-03 -8.9670000000e-04  1.1770000000e-03 -3.6091000000e-03  2.2585000000e-03 -1.5922000000e-03  3.8788000000e-03  1.3198000000e-03  1.0700000000e-04 -3.6822000000e-03 -3.5828000000e-03  1.4899000000e-03 -2.0960000000e-04
-
-JOB 77
-COORDS -4.6066060000e+00 -1.4598780000e+00  2.1292340000e+00 -4.3979200000e+00 -1.7370550000e+00  3.0213410000e+00 -5.5406360000e+00 -1.6455410000e+00  2.0325430000e+00  4.6413020000e+00  1.4177280000e+00 -2.1632470000e+00  4.6205020000e+00  2.1164540000e+00 -1.5093500000e+00  4.7786960000e+00  1.8713250000e+00 -2.9948740000e+00
-ENERGY -1.526540176032e+02
-FORCES -2.9134000000e-03 -1.9293000000e-03  3.2243000000e-03 -8.7510000000e-04  1.1504000000e-03 -3.6263000000e-03  3.7989000000e-03  7.7380000000e-04  3.9850000000e-04  3.6850000000e-04  4.6927000000e-03 -7.0870000000e-04  1.4290000000e-04 -2.8393000000e-03 -2.6711000000e-03 -5.2180000000e-04 -1.8482000000e-03  3.3834000000e-03
-
-JOB 78
-COORDS -7.7672600000e-01  5.2811130000e+00 -3.0746900000e-01 -6.7195200000e-01  4.6809820000e+00  4.3083700000e-01 -1.5441460000e+00  5.8070080000e+00 -8.2230000000e-02  8.8604700000e-01 -5.2755290000e+00  2.5448100000e-01  3.0102700000e-01 -5.1794920000e+00 -4.9702400000e-01  2.9959400000e-01 -5.3972500000e+00  1.0011330000e+00
-ENERGY -1.526540550896e+02
-FORCES -2.6484000000e-03 -2.9160000000e-04  3.9439000000e-03 -4.6820000000e-04  2.4479000000e-03 -3.0174000000e-03  3.1153000000e-03 -2.1580000000e-03 -9.2510000000e-04 -4.7619000000e-03 -1.2070000000e-04 -6.9700000000e-05  2.3745000000e-03 -3.9490000000e-04  3.0954000000e-03  2.3887000000e-03  5.1740000000e-04 -3.0271000000e-03
-
-JOB 79
-COORDS -4.8163150000e+00  2.3832480000e+00 -2.0613100000e-01 -4.9808120000e+00  3.0069250000e+00 -9.1337900000e-01 -5.2684430000e+00  2.7546990000e+00  5.5138900000e-01  4.7783290000e+00 -2.4488830000e+00  2.0076500000e-01  5.3390490000e+00 -1.9687430000e+00  8.1010100000e-01  5.3854690000e+00 -2.8358740000e+00 -4.2998900000e-01
-ENERGY -1.526539564269e+02
-FORCES -2.4665000000e-03  4.0290000000e-03  2.0720000000e-04  6.5260000000e-04 -2.5331000000e-03  2.8862000000e-03  1.8291000000e-03 -1.5040000000e-03 -3.0930000000e-03  4.7103000000e-03  4.0450000000e-04 -9.2900000000e-05 -2.2638000000e-03 -1.9694000000e-03 -2.4840000000e-03 -2.4616000000e-03  1.5730000000e-03  2.5765000000e-03
-
-JOB 80
-COORDS -2.8605910000e+00 -4.5878130000e+00  8.1007400000e-01 -3.5333400000e+00 -3.9202060000e+00  6.7613300000e-01 -3.1938580000e+00 -5.3595750000e+00  3.5230900000e-01  2.9251870000e+00  4.6570290000e+00 -7.6230600000e-01  2.3391910000e+00  4.3624440000e+00 -1.4594860000e+00  3.2538620000e+00  3.8492350000e+00 -3.6774900000e-01
-ENERGY -1.526541321504e+02
-FORCES -4.1534000000e-03 -4.7930000000e-04 -2.3673000000e-03  2.7789000000e-03 -2.6966000000e-03  5.2100000000e-04  1.3734000000e-03  3.1670000000e-03  1.8514000000e-03 -1.0399000000e-03 -4.5407000000e-03 -1.2046000000e-03  2.3752000000e-03  1.2277000000e-03  2.8233000000e-03 -1.3343000000e-03  3.3220000000e-03 -1.6238000000e-03
-
-JOB 81
-COORDS  5.4755200000e+00  9.5058700000e-01  6.6940000000e-02  5.4502720000e+00  1.8011250000e+00 -3.7144200000e-01  6.1982830000e+00  1.0232450000e+00  6.9029100000e-01 -5.5323990000e+00 -9.9847200000e-01 -1.3522000000e-01 -5.5269070000e+00 -1.7719760000e+00  4.2860000000e-01 -5.1606280000e+00 -3.0320400000e-01  4.0756900000e-01
-ENERGY -1.526540923538e+02
-FORCES  2.8687000000e-03  3.7626000000e-03  7.0450000000e-04  9.6600000000e-05 -3.4659000000e-03  1.8140000000e-03 -2.9628000000e-03 -2.9740000000e-04 -2.5250000000e-03  1.6271000000e-03 -3.4060000000e-04  4.5019000000e-03 -6.5800000000e-05  3.1559000000e-03 -2.2905000000e-03 -1.5639000000e-03 -2.8145000000e-03 -2.2049000000e-03
-
-JOB 82
-COORDS -4.1442060000e+00 -4.3648680000e+00  6.0957800000e-01 -5.0262630000e+00 -4.6282240000e+00  8.7197100000e-01 -3.8923240000e+00 -5.0021310000e+00 -5.8766000000e-02  4.2323950000e+00  4.4395020000e+00 -5.6078200000e-01  4.0257790000e+00  3.5096880000e+00 -6.5558400000e-01  3.4951430000e+00  4.8921490000e+00 -9.7042000000e-01
-ENERGY -1.526541313978e+02
-FORCES -2.5941000000e-03 -3.7068000000e-03 -1.6226000000e-03  3.6020000000e-03  1.0820000000e-03 -1.0830000000e-03 -1.0131000000e-03  2.6205000000e-03  2.7117000000e-03 -3.8931000000e-03 -1.9780000000e-03 -2.0202000000e-03  8.7420000000e-04  3.8043000000e-03  3.6280000000e-04  3.0241000000e-03 -1.8220000000e-03  1.6512000000e-03
-
-JOB 83
-COORDS  5.7749760000e+00  3.3951990000e+00 -1.9672740000e+00  6.1388050000e+00  4.0015430000e+00 -2.6124150000e+00  4.8345180000e+00  3.5733090000e+00 -1.9741780000e+00 -5.7910480000e+00 -3.4092770000e+00  2.0434520000e+00 -5.3644460000e+00 -3.0741570000e+00  1.2548220000e+00 -5.3764100000e+00 -4.2579850000e+00  2.1983810000e+00
-ENERGY -1.526540830169e+02
-FORCES -2.3357000000e-03  3.2292000000e-03 -2.6497000000e-03 -1.4902000000e-03 -2.4827000000e-03  2.6275000000e-03  3.8275000000e-03 -7.4750000000e-04  2.2600000000e-05  3.4441000000e-03 -2.1098000000e-03 -2.5714000000e-03 -1.7470000000e-03 -1.3539000000e-03  3.2088000000e-03 -1.6988000000e-03  3.4648000000e-03 -6.3770000000e-04
-
-JOB 84
-COORDS -2.0730500000e+00 -6.8004860000e+00 -1.0634870000e+00 -1.2892990000e+00 -6.3342100000e+00 -1.3542680000e+00 -2.3789940000e+00 -7.2647830000e+00 -1.8426270000e+00  2.0308300000e+00  6.7359000000e+00  1.1497410000e+00  2.7440280000e+00  7.0813550000e+00  6.1286100000e-01  1.5005720000e+00  7.5027250000e+00  1.3666230000e+00
-ENERGY -1.526540679742e+02
-FORCES  1.9591000000e-03  4.5900000000e-05 -4.3517000000e-03 -3.2000000000e-03 -1.9271000000e-03  1.1739000000e-03  1.2430000000e-03  1.8815000000e-03  3.1753000000e-03  7.3560000000e-04  4.5413000000e-03 -1.2861000000e-03 -2.9066000000e-03 -1.4154000000e-03  2.1816000000e-03  2.1689000000e-03 -3.1263000000e-03 -8.9300000000e-04
-
-JOB 85
-COORDS -5.5678520000e+00 -3.4358130000e+00 -3.4855890000e+00 -5.9411710000e+00 -3.3359300000e+00 -4.3613100000e+00 -5.5596280000e+00 -2.5489160000e+00 -3.1256200000e+00  5.6425410000e+00  3.3908720000e+00  3.5594450000e+00  5.1709640000e+00  2.5761730000e+00  3.3859200000e+00  5.2237080000e+00  4.0365040000e+00  2.9902600000e+00
-ENERGY -1.526540684402e+02
-FORCES -1.5215000000e-03  4.0058000000e-03 -2.1168000000e-03  1.5340000000e-03 -3.9800000000e-04  3.5779000000e-03 -1.1000000000e-05 -3.6098000000e-03 -1.4603000000e-03 -3.6248000000e-03 -7.0720000000e-04 -3.0259000000e-03  1.9195000000e-03  3.3360000000e-03  7.0520000000e-04  1.7037000000e-03 -2.6267000000e-03  2.3199000000e-03
-
-JOB 86
-COORDS  6.9993550000e+00  1.5890410000e+00 -4.9747220000e+00  7.5594000000e+00  2.2152610000e+00 -4.5159950000e+00  6.5564360000e+00  2.1093570000e+00 -5.6450390000e+00 -7.0216270000e+00 -1.6498680000e+00  5.0396800000e+00 -6.1371030000e+00 -1.5792080000e+00  4.6807150000e+00 -7.5888580000e+00 -1.7065800000e+00  4.2707420000e+00
-ENERGY -1.526540875611e+02
-FORCES  4.9850000000e-04  4.6789000000e-03 -8.7010000000e-04 -2.2931000000e-03 -2.5548000000e-03 -1.8689000000e-03  1.7961000000e-03 -2.1248000000e-03  2.7386000000e-03  1.3043000000e-03  4.6400000000e-05 -4.6041000000e-03 -3.6135000000e-03 -2.8180000000e-04  1.4666000000e-03  2.3077000000e-03  2.3620000000e-04  3.1379000000e-03
-
-JOB 87
-COORDS -4.1756560000e+00 -2.7673440000e+00 -7.2711750000e+00 -4.6733730000e+00 -2.0169340000e+00 -7.5958200000e+00 -3.5176510000e+00 -2.9294880000e+00 -7.9471720000e+00  4.1901900000e+00  2.6870550000e+00  7.3666410000e+00  3.8335850000e+00  3.5529730000e+00  7.5647570000e+00  4.1898400000e+00  2.6403650000e+00  6.4105800000e+00
-ENERGY -1.526540731071e+02
-FORCES  6.4630000000e-04  2.3854000000e-03 -4.0894000000e-03  2.0348000000e-03 -3.0549000000e-03  1.3290000000e-03 -2.6814000000e-03  6.6850000000e-04  2.7610000000e-03 -1.4689000000e-03  3.3294000000e-03 -3.0972000000e-03  1.4599000000e-03 -3.5271000000e-03 -8.0570000000e-04  9.3000000000e-06  1.9870000000e-04  3.9023000000e-03
-
-JOB 88
-COORDS -8.1686640000e+00  3.4815230000e+00  8.5102600000e-01 -8.3859410000e+00  2.7258310000e+00  1.3968760000e+00 -8.2988500000e+00  3.1747810000e+00 -4.6299000000e-02  8.2202740000e+00 -3.4816470000e+00 -7.9974700000e-01  8.5665140000e+00 -2.5918350000e+00 -8.6745800000e-01  7.3431810000e+00 -3.4273940000e+00 -1.1792150000e+00
-ENERGY -1.526540791990e+02
-FORCES -1.4362000000e-03 -4.3313000000e-03 -1.4261000000e-03  8.9440000000e-04  3.0817000000e-03 -2.2310000000e-03  5.4170000000e-04  1.2505000000e-03  3.6575000000e-03 -2.1613000000e-03  3.8600000000e-03 -1.8193000000e-03 -1.4131000000e-03 -3.6334000000e-03  2.7340000000e-04  3.5745000000e-03 -2.2750000000e-04  1.5455000000e-03
-
-JOB 89
-COORDS -9.3129580000e+00  4.6585700000e-01  2.7079990000e+00 -9.8289470000e+00 -3.3278900000e-01  2.5977690000e+00 -9.0787740000e+00  4.7409200000e-01  3.6360740000e+00  9.3577080000e+00 -4.7237400000e-01 -2.7286710000e+00  9.1961540000e+00 -2.6519300000e-01 -3.6491100000e+00  9.0138760000e+00  2.8130300000e-01 -2.2491060000e+00
-ENERGY -1.526540867042e+02
-FORCES -1.1524000000e-03 -3.2294000000e-03  3.3384000000e-03  2.1050000000e-03  3.2596000000e-03  4.4850000000e-04 -9.5360000000e-04 -3.0400000000e-05 -3.7866000000e-03 -2.0708000000e-03  3.9217000000e-03 -1.8001000000e-03  6.6390000000e-04 -8.4650000000e-04  3.7538000000e-03  1.4078000000e-03 -3.0750000000e-03 -1.9540000000e-03
-
-JOB 0
-COORDS  2.6720700000e-01 -2.4990600000e-01  1.2092930000e+00 -2.5049000000e-02 -1.1503600000e+00  1.3507140000e+00  1.1796540000e+00 -2.4551800000e-01  1.4985230000e+00 -2.6861500000e-01  3.2273400000e-01 -1.2993290000e+00  2.6016000000e-02 -2.2554500000e-01 -5.7213200000e-01 -1.1218740000e+00  6.5425800000e-01 -1.0195590000e+00
-ENERGY -1.526551822289e+02
-FORCES  1.3759000000e-03  2.5215000000e-03 -4.6185000000e-03  1.6648000000e-03  5.6538000000e-03 -5.1797000000e-03 -5.2550000000e-03 -1.0883000000e-03 -2.1191000000e-03  1.8635000000e-03 -1.2445000000e-03  2.0472200000e-02 -9.5970000000e-04 -4.7309000000e-03 -6.6746000000e-03  1.3105000000e-03 -1.1116000000e-03 -1.8802000000e-03
-
-JOB 1
-COORDS -4.6624700000e-01 -9.9782000000e-01 -8.0130600000e-01 -1.3468530000e+00 -1.2229300000e+00 -5.0115500000e-01 -2.3425800000e-01 -2.1620800000e-01 -2.9981300000e-01  5.3854200000e-01  9.0999900000e-01  7.2918000000e-01  4.9522900000e-01  1.7968070000e+00  3.7151100000e-01 -2.9064000000e-02  9.3394900000e-01  1.4995570000e+00
-ENERGY -1.526575867881e+02
-FORCES  6.5449000000e-03  1.2990800000e-02  1.0599500000e-02  3.1119000000e-03  2.4148000000e-03  1.0522000000e-03 -7.0829000000e-03 -6.1552000000e-03 -5.3226000000e-03 -2.8471000000e-03 -2.5963000000e-03 -1.8329000000e-03 -1.1821000000e-03 -5.8871000000e-03  1.8234000000e-03  1.4552000000e-03 -7.6700000000e-04 -6.3196000000e-03
-
-JOB 2
-COORDS -1.9352800000e-01 -9.8898100000e-01  7.6185700000e-01  3.2521000000e-02 -1.9129220000e+00  6.5477700000e-01 -4.1151000000e-01 -9.0122600000e-01  1.6897660000e+00  1.6230300000e-01  1.0568000000e+00 -8.7930900000e-01 -1.7551000000e-02  2.7161700000e-01 -3.6222800000e-01  7.8228700000e-01  1.5569050000e+00 -3.4851200000e-01
-ENERGY -1.526589969506e+02
-FORCES  1.1557000000e-03  6.3790000000e-03 -4.4208000000e-03 -1.4900000000e-03  4.4851000000e-03  2.3427000000e-03  2.0518000000e-03 -2.1007000000e-03 -4.2347000000e-03 -3.7360000000e-04 -1.2643100000e-02  1.1994000000e-02  4.8710000000e-04  5.0176000000e-03 -4.9834000000e-03 -1.8310000000e-03 -1.1378000000e-03 -6.9760000000e-04
-
-JOB 3
-COORDS -1.2024550000e+00 -4.1561900000e-01  1.4129800000e-01 -1.6397330000e+00  2.9770000000e-03 -6.0018500000e-01 -1.9143940000e+00 -6.6259400000e-01  7.3153300000e-01  1.2868300000e+00  4.5659600000e-01 -1.8324400000e-01  1.8625720000e+00  8.9855000000e-02  4.8776500000e-01  4.4739900000e-01  1.7829000000e-02 -4.5144000000e-02
-ENERGY -1.526590213167e+02
-FORCES  5.6670000000e-03  3.7931000000e-03  6.5510000000e-04  2.2372000000e-03 -2.5605000000e-03  4.6153000000e-03  1.6819000000e-03  1.6243000000e-03 -4.1468000000e-03 -1.2861200000e-02 -6.5796000000e-03  5.0815000000e-03 -2.3570000000e-03  5.8620000000e-04 -1.2042000000e-03  5.6321000000e-03  3.1363000000e-03 -5.0009000000e-03
-
-JOB 4
-COORDS -2.9396200000e-01  2.5535000000e-01  1.2298680000e+00  1.8156500000e-01  9.0406000000e-02  2.0440550000e+00 -7.8138100000e-01  1.0622560000e+00  1.3958740000e+00  3.5410800000e-01 -3.1179500000e-01 -1.3145860000e+00  2.2157000000e-01 -1.5000000000e-01 -3.8051500000e-01 -4.8845900000e-01 -1.0050700000e-01 -1.7166680000e+00
-ENERGY -1.526595374322e+02
-FORCES  2.3352000000e-03  7.3640000000e-04 -4.9733000000e-03 -3.0704000000e-03  2.0431000000e-03 -3.6426000000e-03  2.3745000000e-03 -4.3945000000e-03  1.6330000000e-04 -5.9945000000e-03  3.1621000000e-03  1.4788200000e-02  2.3768000000e-03 -1.8437000000e-03 -7.7650000000e-03  1.9784000000e-03  2.9660000000e-04  1.4294000000e-03
-
-JOB 5
-COORDS  1.8472200000e-01  5.0091000000e-02 -1.3740580000e+00 -9.7056000000e-02 -2.6101600000e-01 -5.1379900000e-01 -4.2337100000e-01  7.5889800000e-01 -1.5839340000e+00 -1.5486600000e-01 -1.0001000000e-01  1.2763380000e+00 -6.3583300000e-01  5.5589500000e-01  1.7810070000e+00  6.1254300000e-01 -2.9994800000e-01  1.8123780000e+00
-ENERGY -1.526579218032e+02
-FORCES -3.8775000000e-03  1.4103000000e-03  1.5800500000e-02  5.0920000000e-04 -1.8305000000e-03 -7.5503000000e-03  1.4090000000e-03 -1.6223000000e-03  9.5550000000e-04  3.4550000000e-03  3.4107000000e-03 -6.0654000000e-03  2.9494000000e-03 -2.8933000000e-03 -1.7481000000e-03 -4.4452000000e-03  1.5251000000e-03 -1.3923000000e-03
-
-JOB 6
-COORDS  1.0243590000e+00 -7.7383900000e-01 -5.7616100000e-01  4.2590000000e-01 -1.4242920000e+00 -9.4357100000e-01  4.7896200000e-01 -2.5069900000e-01  1.1290000000e-02 -9.4013500000e-01  7.1562100000e-01  5.6783000000e-01 -1.1824170000e+00  1.1712620000e+00 -2.3834700000e-01 -1.1025050000e+00  1.3539730000e+00  1.2623620000e+00
-ENERGY -1.526603308876e+02
-FORCES -1.1211600000e-02  4.9245000000e-03  7.5991000000e-03  1.3458000000e-03  2.4432000000e-03  2.2780000000e-04  5.7365000000e-03 -3.5062000000e-03 -5.7051000000e-03  2.5758000000e-03  1.0089000000e-03 -2.4572000000e-03  1.3169000000e-03 -2.5266000000e-03  4.8439000000e-03  2.3670000000e-04 -2.3437000000e-03 -4.5085000000e-03
-
-JOB 7
-COORDS  3.0902400000e-01  4.6382100000e-01 -1.2494720000e+00  1.2578530000e+00  5.7685700000e-01 -1.1930960000e+00 -5.0429000000e-02  1.2079560000e+00 -7.6647100000e-01 -2.8563100000e-01 -5.5200500000e-01  1.2353570000e+00 -9.1824900000e-01 -1.5306800000e-01  1.8327480000e+00 -5.6292900000e-01 -2.6480500000e-01  3.6538400000e-01
-ENERGY -1.526549204401e+02
-FORCES  6.5929000000e-03  9.8440000000e-04  7.5787000000e-03 -4.3679000000e-03  8.4610000000e-04 -1.9289000000e-03 -1.8691000000e-03 -7.4755000000e-03  7.5040000000e-04  2.2580000000e-04  9.0540000000e-04 -9.2675000000e-03  2.7777000000e-03  5.5350000000e-04 -4.6030000000e-03 -3.3594000000e-03  4.1861000000e-03  7.4702000000e-03
-
-JOB 8
-COORDS -1.0455470000e+00 -9.2324700000e-01  1.1970700000e-01 -1.8543330000e+00 -4.3555200000e-01  2.7543100000e-01 -3.5549400000e-01 -2.6074900000e-01  1.5369500000e-01  9.9671100000e-01  8.7522200000e-01 -8.8319000000e-02  1.7303680000e+00  2.8894100000e-01  9.6756000000e-02  1.1337430000e+00  1.1525680000e+00 -9.9415200000e-01
-ENERGY -1.526607946958e+02
-FORCES  8.9902000000e-03  1.2223900000e-02 -3.0080000000e-04  2.7805000000e-03 -5.0170000000e-04 -9.3530000000e-04 -5.7836000000e-03 -8.9357000000e-03  1.8270000000e-03 -5.2400000000e-04 -3.6529000000e-03 -3.9514000000e-03 -5.5788000000e-03  2.3338000000e-03 -1.5492000000e-03  1.1570000000e-04 -1.4675000000e-03  4.9099000000e-03
-
-JOB 9
-COORDS -6.6714000000e-02 -4.2840800000e-01  1.2323180000e+00  7.0195300000e-01 -3.3587100000e-01  1.7951860000e+00 -8.0020200000e-01 -1.4827900000e-01  1.7798170000e+00  1.2253000000e-01  3.9584000000e-01 -1.3391010000e+00  1.0180000000e-02  2.9405900000e-01 -3.9398200000e-01 -7.4174200000e-01  6.5732300000e-01 -1.6567360000e+00
-ENERGY -1.526594526617e+02
-FORCES  1.4724000000e-03  1.5589000000e-03 -1.2688000000e-03 -4.9006000000e-03 -8.0000000000e-05 -2.4667000000e-03  4.1108000000e-03 -7.7070000000e-04 -3.4640000000e-03 -2.8309000000e-03 -4.7163000000e-03  1.3694100000e-02  2.2830000000e-04  4.9313000000e-03 -8.9993000000e-03  1.9200000000e-03 -9.2310000000e-04  2.5047000000e-03
-
-JOB 10
-COORDS -8.6436400000e-01  1.0934270000e+00  1.3687300000e-01 -1.0251900000e-01  5.3149400000e-01 -4.7430000000e-03 -5.4898700000e-01  1.7823960000e+00  7.2175900000e-01  7.6655600000e-01 -1.0486150000e+00 -1.5884200000e-01  1.2840880000e+00 -1.3979950000e+00  5.6664100000e-01  9.5130700000e-01 -1.6372050000e+00 -8.9073000000e-01
-ENERGY -1.526594018951e+02
-FORCES  8.2486000000e-03 -8.9103000000e-03 -1.1970000000e-03 -3.9770000000e-03  8.1870000000e-03  1.8725000000e-03  3.6710000000e-04 -3.5036000000e-03 -1.3014000000e-03 -2.7413000000e-03  1.1401000000e-03  1.2720000000e-04 -1.9107000000e-03  1.4719000000e-03 -4.1344000000e-03  1.3400000000e-05  1.6149000000e-03  4.6332000000e-03
-
-JOB 11
-COORDS  8.3005000000e-02  8.7875100000e-01  9.7867800000e-01  1.8401400000e-01  2.3754300000e-01  1.6821560000e+00 -2.9788000000e-02  1.7150010000e+00  1.4305580000e+00 -4.2544000000e-02 -8.9709300000e-01 -1.0985690000e+00 -7.8827000000e-01 -1.4550280000e+00 -8.7758700000e-01  1.3994000000e-02 -2.7400800000e-01 -3.7413800000e-01
-ENERGY -1.526586339297e+02
-FORCES -4.2520000000e-04  3.0380000000e-04 -2.0633000000e-03 -1.6068000000e-03  2.6647000000e-03 -5.3116000000e-03  8.5230000000e-04 -4.9359000000e-03  2.3240000000e-04 -2.1919000000e-03  8.9058000000e-03  7.9590000000e-03  2.5434000000e-03  1.7957000000e-03  6.5900000000e-04  8.2820000000e-04 -8.7342000000e-03 -1.4755000000e-03
-
-JOB 12
-COORDS  7.8275000000e-01  5.7578400000e-01 -1.0559880000e+00  2.3636800000e-01  5.1500700000e-01 -2.7240400000e-01  1.1004520000e+00 -3.1610700000e-01 -1.1967980000e+00 -7.2744200000e-01 -5.5024400000e-01  9.7705400000e-01 -1.6552690000e+00 -3.6142700000e-01  8.3663700000e-01 -5.3398600000e-01 -1.7678700000e-01  1.8369000000e+00
-ENERGY -1.526594999613e+02
-FORCES -6.8196000000e-03 -9.8190000000e-03  1.0414400000e-02  3.1308000000e-03  7.0255000000e-03 -4.2029000000e-03  4.1330000000e-04  2.6808000000e-03 -1.1857000000e-03 -1.7854000000e-03  4.9900000000e-04  2.6630000000e-04  5.7601000000e-03  1.6770000000e-04  7.5100000000e-04 -6.9910000000e-04 -5.5400000000e-04 -6.0432000000e-03
-
-JOB 13
-COORDS  3.0072500000e-01  8.0326400000e-01  1.0085440000e+00  8.8621300000e-01  1.0082910000e+00  1.7375160000e+00 -5.5136300000e-01  1.1427120000e+00  1.2823200000e+00 -3.4567000000e-01 -8.6204800000e-01 -1.0696490000e+00 -3.2746000000e-02 -4.7020700000e-01 -2.5431400000e-01  3.6344500000e-01 -7.1313100000e-01 -1.6951180000e+00
-ENERGY -1.526606426546e+02
-FORCES -1.9411000000e-03 -9.7110000000e-04 -4.7590000000e-04 -3.6587000000e-03  2.9720000000e-04 -3.2358000000e-03  5.1401000000e-03 -2.0958000000e-03 -3.6830000000e-04  6.5591000000e-03  8.1245000000e-03  8.0759000000e-03 -4.4228000000e-03 -4.7279000000e-03 -5.7514000000e-03 -1.6766000000e-03 -6.2690000000e-04  1.7556000000e-03
-
-JOB 14
-COORDS -3.4724400000e-01 -1.0006360000e+00 -7.7605900000e-01 -8.9150600000e-01 -9.0289400000e-01 -1.5573770000e+00 -6.1587000000e-02 -1.9140150000e+00 -7.9529900000e-01  3.8023400000e-01  1.0401220000e+00  8.8220300000e-01  4.6437700000e-01  1.8211580000e+00  3.3527200000e-01 -5.8188000000e-02  4.0037600000e-01  3.2118300000e-01
-ENERGY -1.526595278985e+02
-FORCES  2.7000000000e-03  5.0120000000e-04  2.6240000000e-03  3.1907000000e-03 -4.9940000000e-04  3.7231000000e-03 -2.5880000000e-03  3.8112000000e-03 -2.0351000000e-03 -2.7195000000e-03 -8.7476000000e-03 -9.4407000000e-03 -9.1370000000e-04 -2.7059000000e-03  7.3660000000e-04  3.3050000000e-04  7.6405000000e-03  4.3920000000e-03
-
-JOB 15
-COORDS -1.0071290000e+00 -7.6391900000e-01 -4.4816900000e-01 -8.4168600000e-01 -1.4155810000e+00 -1.1294890000e+00 -1.5751630000e+00 -1.2113570000e+00  1.7902100000e-01  1.0186100000e+00  8.9521300000e-01  4.3917600000e-01  1.8558690000e+00  4.7472100000e-01  6.3517900000e-01  3.8103500000e-01  1.8155300000e-01  4.5963900000e-01
-ENERGY -1.526587200213e+02
-FORCES  7.9480000000e-04 -1.5336000000e-03 -3.1152000000e-03 -1.6296000000e-03  2.4042000000e-03  4.0235000000e-03  4.7786000000e-03  2.5702000000e-03 -2.4215000000e-03 -7.0763000000e-03 -8.2769000000e-03 -3.4660000000e-03 -3.3982000000e-03  1.7920000000e-04 -1.2594000000e-03  6.5307000000e-03  4.6569000000e-03  6.2386000000e-03
-
-JOB 16
-COORDS -3.5020100000e-01  7.0463000000e-01  1.2184690000e+00 -1.6181600000e-01  4.6012700000e-01  3.1240000000e-01  3.7375100000e-01  3.3333000000e-01  1.7227140000e+00  2.7102600000e-01 -6.2445700000e-01 -1.1591500000e+00  5.2983200000e-01 -6.0716000000e-01 -2.0805360000e+00  5.4745400000e-01 -1.4865700000e+00 -8.4837400000e-01
-ENERGY -1.526600060512e+02
-FORCES  4.8125000000e-03 -4.8665000000e-03 -9.5416000000e-03 -1.8367000000e-03  3.0305000000e-03  7.8721000000e-03 -2.2217000000e-03  9.9900000000e-05 -1.4553000000e-03  3.9600000000e-04 -1.1298000000e-03  5.8390000000e-04 -8.2260000000e-04 -1.7230000000e-03  4.4564000000e-03 -3.2750000000e-04  4.5888000000e-03 -1.9156000000e-03
-
-JOB 17
-COORDS -9.9637000000e-02  1.3212710000e+00 -1.3180100000e-01 -5.9486200000e-01  2.1142050000e+00  7.3727000000e-02  6.6145900000e-01  1.6337150000e+00 -6.2102800000e-01  1.2387600000e-01 -1.4286190000e+00  1.9463400000e-01 -4.7965800000e-01 -1.7189720000e+00 -4.8923300000e-01  7.4774000000e-02 -4.7304500000e-01  1.6816100000e-01
-ENERGY -1.526608330482e+02
-FORCES -1.6340000000e-04 -3.9050000000e-04  9.9570000000e-04  3.4380000000e-03 -2.4351000000e-03 -2.4567000000e-03 -4.4029000000e-03 -1.3172000000e-03  2.6712000000e-03 -4.1430000000e-03  1.1433000000e-02 -2.4828000000e-03  1.7233000000e-03  6.3070000000e-04  1.7314000000e-03  3.5480000000e-03 -7.9208000000e-03 -4.5880000000e-04
-
-JOB 18
-COORDS -2.9240700000e-01 -9.7801400000e-01  9.8756900000e-01  3.5692300000e-01 -1.4751950000e+00  1.4849740000e+00  2.2080100000e-01 -4.8988600000e-01  3.4368900000e-01  2.5674700000e-01  9.5616800000e-01 -9.3536800000e-01 -1.9590000000e-02  5.2250900000e-01 -1.7427150000e+00 -1.4602600000e-01  1.8234160000e+00 -9.7881100000e-01
-ENERGY -1.526598610702e+02
-FORCES  3.7552000000e-03  7.0585000000e-03 -5.1628000000e-03 -1.2761000000e-03  2.7338000000e-03 -2.7241000000e-03 -6.3310000000e-04 -9.3630000000e-03  4.0057000000e-03 -5.4079000000e-03  1.5484000000e-03  1.2076000000e-03  1.6238000000e-03  1.5711000000e-03  4.6403000000e-03  1.9381000000e-03 -3.5487000000e-03 -1.9667000000e-03
-
-JOB 19
-COORDS -1.0633940000e+00  4.0300700000e-01  8.0948400000e-01 -1.3404340000e+00  5.7984300000e-01  1.7084890000e+00 -1.0864500000e-01  3.5444000000e-01  8.5773400000e-01  1.0680480000e+00 -3.9424800000e-01 -8.1471000000e-01  9.2255100000e-01 -1.2595370000e+00 -1.1972500000e+00  4.4592100000e-01  1.7569300000e-01 -1.2667680000e+00
-ENERGY -1.526595083562e+02
-FORCES  6.2420000000e-03 -2.1565000000e-03  4.0160000000e-04  2.6081000000e-03 -1.5427000000e-03 -3.1771000000e-03 -7.0311000000e-03  4.5607000000e-03  1.8798000000e-03 -7.2392000000e-03 -2.3160000000e-03 -2.8030000000e-03  1.1049000000e-03  3.6024000000e-03  6.3850000000e-04  4.3153000000e-03 -2.1478000000e-03  3.0602000000e-03
-
-JOB 20
-COORDS -1.2389100000e-01  5.5870200000e-01  1.3445590000e+00 -3.4887900000e-01  3.6375700000e-01  4.3482900000e-01  1.5765900000e-01 -2.8112400000e-01  1.7074020000e+00  1.0302800000e-01 -4.3171200000e-01 -1.2738100000e+00 -2.4095600000e-01 -1.3106330000e+00 -1.1144240000e+00  7.2335700000e-01 -5.4375500000e-01 -1.9941370000e+00
-ENERGY -1.526574061606e+02
-FORCES  3.4324000000e-03 -5.1259000000e-03 -1.0455700000e-02 -3.9960000000e-03 -2.2900000000e-04  6.9767000000e-03 -1.4161000000e-03  1.8817000000e-03 -8.1620000000e-04  3.3816000000e-03 -3.3900000000e-04  3.1200000000e-05  1.8775000000e-03  5.1975000000e-03  1.2678000000e-03 -3.2794000000e-03 -1.3852000000e-03  2.9963000000e-03
-
-JOB 21
-COORDS -8.5331600000e-01 -7.2018600000e-01  8.4831200000e-01 -9.4445400000e-01 -5.1807100000e-01 -8.2857000000e-02 -1.7236440000e+00 -5.6279000000e-01  1.2143550000e+00  8.5743100000e-01  7.0744700000e-01 -8.6391200000e-01  1.6871090000e+00  2.4369700000e-01 -9.7706000000e-01  8.8849900000e-01  1.0394600000e+00  3.3325000000e-02
-ENERGY -1.526591138820e+02
-FORCES -1.2570000000e-04  1.6554000000e-03 -6.7350000000e-03 -3.6641000000e-03 -2.6031000000e-03  6.2960000000e-03  3.9301000000e-03  7.6610000000e-04 -2.2477000000e-03  2.3194000000e-03 -2.3598000000e-03  7.5889000000e-03 -3.2898000000e-03  1.9031000000e-03  4.7530000000e-04  8.3010000000e-04  6.3830000000e-04 -5.3775000000e-03
-
-JOB 22
-COORDS  8.5736600000e-01 -1.1106970000e+00 -2.5054000000e-02  1.4760730000e+00 -1.0173300000e+00 -7.4942700000e-01  1.7710400000e-01 -1.6926040000e+00 -3.6396500000e-01 -8.6418200000e-01  1.1941230000e+00  4.7435000000e-02 -2.3970000000e-02  8.2977800000e-01  3.2587300000e-01 -1.5159130000e+00  5.7982200000e-01  3.8524300000e-01
-ENERGY -1.526578636792e+02
-FORCES -3.3458000000e-03 -3.0410000000e-04 -6.2964000000e-03 -2.8868000000e-03 -5.4500000000e-05  3.5989000000e-03  2.9327000000e-03  2.1585000000e-03  2.0764000000e-03  5.7043000000e-03 -1.0617300000e-02  2.6303000000e-03 -3.1233000000e-03  7.0226000000e-03 -2.2950000000e-04  7.1880000000e-04  1.7948000000e-03 -1.7797000000e-03
-
-JOB 23
-COORDS -1.1167980000e+00  5.1954600000e-01  6.1003200000e-01 -1.7929610000e+00  1.1054750000e+00  2.6985100000e-01 -8.6652400000e-01  9.0405100000e-01  1.4501220000e+00  1.1788810000e+00 -5.7535200000e-01 -7.0797600000e-01  1.2259790000e+00 -1.2714220000e+00 -5.2612000000e-02  5.9704300000e-01  7.9139000000e-02 -3.2153400000e-01
-ENERGY -1.526594878274e+02
-FORCES -3.0095000000e-03  2.2546000000e-03  5.0140000000e-04  3.5468000000e-03 -2.5211000000e-03  2.4886000000e-03  5.7700000000e-05 -2.2518000000e-03 -5.2164000000e-03 -1.0153600000e-02  1.7474000000e-03  6.5615000000e-03  9.8680000000e-04  1.9105000000e-03 -1.6888000000e-03  8.5717000000e-03 -1.1396000000e-03 -2.6462000000e-03
-
-JOB 24
-COORDS -2.0857600000e-01 -5.2077100000e-01  1.2635430000e+00 -1.4702000000e-01  1.3692500000e-01  1.9562760000e+00 -7.6052200000e-01 -1.2091890000e+00  1.6345810000e+00  2.9565700000e-01  5.4729400000e-01 -1.3300180000e+00 -4.1328500000e-01  5.7048800000e-01 -1.9727430000e+00 -8.3459000000e-02  1.0517900000e-01 -5.7038800000e-01
-ENERGY -1.526611956716e+02
-FORCES -2.3340000000e-04  1.0443000000e-03  3.1949000000e-03 -1.1206000000e-03 -4.1464000000e-03 -2.5484000000e-03  2.3551000000e-03  3.8194000000e-03 -1.2252000000e-03 -3.6414000000e-03 -4.2549000000e-03  7.2797000000e-03  1.6505000000e-03 -7.2670000000e-04  2.9304000000e-03  9.8980000000e-04  4.2644000000e-03 -9.6314000000e-03
-
-JOB 25
-COORDS  7.3858100000e-01  6.5477600000e-01  9.6194400000e-01  1.0543880000e+00  2.8423800000e-01  1.7860800000e+00  1.2598960000e+00  1.4482750000e+00  8.4020500000e-01 -8.4345800000e-01 -6.9702500000e-01 -9.9314800000e-01 -2.7016300000e-01 -8.2968700000e-01 -1.7481080000e+00 -2.9581600000e-01 -2.4282000000e-01 -3.5282200000e-01
-ENERGY -1.526615031665e+02
-FORCES  1.2082000000e-03  3.6010000000e-04  1.2738000000e-03 -5.1500000000e-04  3.0092000000e-03 -3.7532000000e-03 -1.6031000000e-03 -4.1567000000e-03  1.4709000000e-03  7.6275000000e-03  4.6750000000e-03  5.5215000000e-03 -1.3502000000e-03  8.3130000000e-04  2.2958000000e-03 -5.3675000000e-03 -4.7189000000e-03 -6.8088000000e-03
-
-JOB 26
-COORDS -2.0659700000e-01 -1.2707970000e+00  5.7031200000e-01  1.0918500000e-01 -2.1247040000e+00  8.6587100000e-01 -6.7024000000e-01 -1.4559190000e+00 -2.4638700000e-01  1.8159300000e-01  1.3381670000e+00 -5.9188200000e-01  5.8133200000e-01  2.0238690000e+00 -5.6855000000e-02  4.1157400000e-01  5.2224100000e-01 -1.4735400000e-01
-ENERGY -1.526607520348e+02
-FORCES -1.9833000000e-03 -4.0289000000e-03 -1.7860000000e-03 -2.2629000000e-03  3.5560000000e-03 -1.6892000000e-03  4.1319000000e-03  9.4170000000e-04  4.2794000000e-03  1.3705000000e-03 -5.0649000000e-03  6.7957000000e-03 -9.0620000000e-04 -2.5441000000e-03 -1.4072000000e-03 -3.5000000000e-04  7.1403000000e-03 -6.1927000000e-03
-
-JOB 27
-COORDS -3.6155500000e-01  1.2899980000e+00 -3.5618000000e-01  2.0638600000e-01  2.0534800000e+00 -4.5996400000e-01 -1.2491790000e+00  1.6376280000e+00 -4.4282700000e-01  3.4947600000e-01 -1.4199490000e+00  3.6270000000e-01  1.3986400000e-01 -6.1443700000e-01 -1.0999900000e-01  1.0913870000e+00 -1.1850150000e+00  9.2001900000e-01
-ENERGY -1.526605379446e+02
-FORCES -1.5045000000e-03  2.2382000000e-03  3.1340000000e-04 -3.1977000000e-03 -3.0833000000e-03  8.7170000000e-04  4.6928000000e-03 -3.4960000000e-04  1.0470000000e-04 -3.9540000000e-04  1.0808800000e-02 -7.2370000000e-04  2.0130000000e-03 -8.5456000000e-03  1.0315000000e-03 -1.6083000000e-03 -1.0684000000e-03 -1.5975000000e-03
-
-JOB 28
-COORDS -4.7442500000e-01  1.3807340000e+00 -4.4539300000e-01  4.4722900000e-01  1.1923810000e+00 -6.2233500000e-01 -8.3878100000e-01  5.4460300000e-01 -1.5494100000e-01  4.7513400000e-01 -1.3106860000e+00  3.8149500000e-01 -1.7350900000e-01 -1.9914870000e+00  5.6039100000e-01  5.4131400000e-01 -8.2091400000e-01  1.2012360000e+00
-ENERGY -1.526573724730e+02
-FORCES  4.6584000000e-03 -1.0318700000e-02 -9.8910000000e-04 -2.1412000000e-03  3.7016000000e-03  1.3039000000e-03 -2.6828000000e-03  4.9374000000e-03  1.7772000000e-03 -2.8620000000e-04 -1.6488000000e-03  4.2746000000e-03  2.0256000000e-03  4.7239000000e-03 -9.2930000000e-04 -1.5737000000e-03 -1.3953000000e-03 -5.4373000000e-03
-
-JOB 29
-COORDS  2.0187800000e-01 -1.4666480000e+00 -1.6740000000e-02 -2.2528400000e-01 -6.2947700000e-01  1.6467000000e-01 -5.0537300000e-01 -2.1104470000e+00  2.2637000000e-02 -9.1228000000e-02  1.4016490000e+00  3.1427000000e-02 -1.4671200000e-01  1.7342780000e+00 -8.6440300000e-01 -7.4392900000e-01  1.9070730000e+00  5.1594800000e-01
-ENERGY -1.526600300520e+02
-FORCES -2.7224000000e-03  7.4435000000e-03  1.0693000000e-03 -7.9060000000e-04 -1.0678100000e-02  5.4000000000e-05  1.7002000000e-03  3.5392000000e-03 -4.4300000000e-05 -1.5850000000e-04  4.1940000000e-03 -3.3048000000e-03 -6.0890000000e-04 -9.0280000000e-04  4.9133000000e-03  2.5803000000e-03 -3.5958000000e-03 -2.6876000000e-03
-
-JOB 30
-COORDS  1.3434920000e+00  6.2874600000e-01  5.0667000000e-02  1.6251510000e+00  1.2424780000e+00 -6.2773800000e-01  3.8863900000e-01  6.1934000000e-01 -1.5666000000e-02 -1.2654510000e+00 -6.0158600000e-01 -2.0183000000e-02 -2.1895270000e+00 -7.6040300000e-01 -2.1278000000e-01 -9.5653600000e-01 -1.4210760000e+00  3.6613200000e-01
-ENERGY -1.526609242581e+02
-FORCES -7.2964000000e-03 -1.4110000000e-04 -2.9486000000e-03 -1.5811000000e-03 -1.8818000000e-03  2.0345000000e-03  8.6412000000e-03  2.8802000000e-03  1.0064000000e-03 -7.0030000000e-04 -3.9940000000e-03  7.9570000000e-04  4.1045000000e-03 -5.4830000000e-04  9.0110000000e-04 -3.1679000000e-03  3.6851000000e-03 -1.7890000000e-03
-
-JOB 31
-COORDS  1.2298680000e+00 -5.0350700000e-01  4.6882500000e-01  1.6413010000e+00 -1.0954040000e+00  1.0985960000e+00  1.6223970000e+00 -7.3745700000e-01 -3.7225800000e-01 -1.3299960000e+00  5.7284500000e-01 -4.3281500000e-01 -6.1567900000e-01  7.0142000000e-02 -4.1315000000e-02 -1.0571640000e+00  7.1111500000e-01 -1.3398300000e+00
-ENERGY -1.526597306192e+02
-FORCES  3.2988000000e-03 -2.7882000000e-03  4.3500000000e-04 -9.8090000000e-04  2.7143000000e-03 -3.7809000000e-03 -3.2361000000e-03  1.2204000000e-03  3.8594000000e-03  9.0585000000e-03 -2.9599000000e-03  1.8047000000e-03 -7.8423000000e-03  2.7219000000e-03 -4.9057000000e-03 -2.9790000000e-04 -9.0850000000e-04  2.5876000000e-03
-
-JOB 32
-COORDS  7.5129200000e-01  9.3942600000e-01 -7.8454800000e-01  1.5958950000e+00  8.7062200000e-01 -3.3941600000e-01  4.8310300000e-01  1.8485630000e+00 -6.5121800000e-01 -8.4908000000e-01 -9.7733700000e-01  7.8612000000e-01 -3.4655600000e-01 -1.7842280000e+00  6.7374600000e-01 -3.3814400000e-01 -3.1053400000e-01  3.2726200000e-01
-ENERGY -1.526609495469e+02
-FORCES  2.8144000000e-03  5.0872000000e-03  3.6920000000e-04 -5.4985000000e-03 -6.9590000000e-04 -1.3817000000e-03  1.7439000000e-03 -4.9900000000e-03 -9.0500000000e-05  6.1599000000e-03  4.1129000000e-03 -7.2477000000e-03 -8.7690000000e-04  2.7697000000e-03  6.3120000000e-04 -4.3427000000e-03 -6.2839000000e-03  7.7195000000e-03
-
-JOB 33
-COORDS  1.2605500000e+00  3.2611200000e-01  6.4249200000e-01  1.5351780000e+00  1.0994470000e+00  1.1352030000e+00  7.5345200000e-01 -1.9007700000e-01  1.2690960000e+00 -1.2968050000e+00 -3.0384100000e-01 -7.1562800000e-01 -4.9592800000e-01 -8.3677000000e-02 -2.3986000000e-01 -1.1323680000e+00 -1.1772480000e+00 -1.0710890000e+00
-ENERGY -1.526581176736e+02
-FORCES  1.3766000000e-03  3.2220000000e-03  5.0441000000e-03 -9.5510000000e-04 -4.4621000000e-03 -1.6215000000e-03 -8.4970000000e-04  3.1438000000e-03 -7.7095000000e-03  8.7025000000e-03  8.4970000000e-04 -3.0150000000e-04 -7.8591000000e-03 -5.5563000000e-03  2.4679000000e-03 -4.1520000000e-04  2.8030000000e-03  2.1206000000e-03
-
-JOB 34
-COORDS -8.1953600000e-01 -1.2947660000e+00 -1.0791100000e-01 -9.0756000000e-02 -7.4223000000e-01 -3.9042700000e-01 -1.3849390000e+00 -7.0797300000e-01  3.9431000000e-01  7.5716800000e-01  1.2470820000e+00  1.2915900000e-01  1.6420200000e+00  1.1515600000e+00  4.8149900000e-01  8.5261800000e-01  1.0784900000e+00 -8.0823000000e-01
-ENERGY -1.526558934071e+02
-FORCES  2.8428000000e-03  1.0128000000e-02  4.4674000000e-03 -3.1930000000e-04 -3.4070000000e-03 -5.2376000000e-03 -3.1600000000e-04 -3.8552000000e-03 -1.8881000000e-03  4.6463000000e-03  9.4850000000e-04 -9.3380000000e-04 -4.5333000000e-03  4.9600000000e-05 -2.2789000000e-03 -2.3205000000e-03 -3.8640000000e-03  5.8710000000e-03
-
-JOB 35
-COORDS -4.7757300000e-01  5.3434800000e-01 -1.2262700000e+00 -7.1455400000e-01  1.4086880000e+00 -1.5354640000e+00 -1.0460650000e+00 -5.6942000000e-02 -1.7196510000e+00  5.7064100000e-01 -5.9406900000e-01  1.2863290000e+00  4.7627600000e-01 -7.2345000000e-02  4.8937800000e-01 -1.7159400000e-01 -3.3469000000e-01  1.8322610000e+00
-ENERGY -1.526608637789e+02
-FORCES -3.0401000000e-03 -7.2890000000e-04 -2.8320000000e-03  3.3230000000e-04 -4.3744000000e-03  1.3184000000e-03  1.9596000000e-03  4.0478000000e-03  1.5106000000e-03 -5.4429000000e-03  5.1967000000e-03 -6.4038000000e-03  3.9521000000e-03 -3.0654000000e-03  7.4175000000e-03  2.2390000000e-03 -1.0759000000e-03 -1.0106000000e-03
-
-JOB 36
-COORDS -1.3666430000e+00 -2.5461100000e-01 -4.8371100000e-01 -2.0567860000e+00  2.8812000000e-01 -8.6499300000e-01 -7.1836600000e-01 -3.4424400000e-01 -1.1822340000e+00  1.4244350000e+00  2.2600400000e-01  5.8538900000e-01  1.1910910000e+00  9.0085100000e-01 -5.2078000000e-02  6.9629900000e-01 -3.9459600000e-01  5.5528800000e-01
-ENERGY -1.526558331388e+02
-FORCES -1.9089000000e-03  2.2246000000e-03 -3.9603000000e-03  3.7126000000e-03 -2.2607000000e-03  9.8600000000e-04 -9.8010000000e-04  1.3272000000e-03  5.7615000000e-03 -9.0537000000e-03  1.3107000000e-03 -8.3410000000e-04  2.1958000000e-03 -2.5615000000e-03  2.2940000000e-04  6.0344000000e-03 -4.0300000000e-05 -2.1826000000e-03
-
-JOB 37
-COORDS  4.0528500000e-01 -1.2231330000e+00 -8.4620500000e-01  3.1449200000e-01 -8.9198400000e-01  4.7288000000e-02 -4.9439400000e-01 -1.3398800000e+00 -1.1514570000e+00 -4.0979300000e-01  1.1741900000e+00  8.0387900000e-01  2.3459700000e-01  1.2119610000e+00  1.5106790000e+00 -3.2894000000e-02  1.7107970000e+00  1.0657600000e-01
-ENERGY -1.526582778448e+02
-FORCES -6.9526000000e-03  5.0882000000e-03  5.2771000000e-03  4.1737000000e-03 -5.0419000000e-03 -2.7324000000e-03  3.4132000000e-03 -3.0360000000e-04 -1.9200000000e-04  3.9050000000e-03  4.4766000000e-03 -2.4279000000e-03 -2.5173000000e-03 -2.4186000000e-03 -4.0970000000e-03 -2.0221000000e-03 -1.8007000000e-03  4.1722000000e-03
-
-JOB 38
-COORDS -6.3839500000e-01  7.9111600000e-01  1.0636290000e+00 -8.1424000000e-01  1.2688670000e+00  1.8742240000e+00 -1.4067860000e+00  2.3336900000e-01  9.4227500000e-01  6.9957200000e-01 -8.4028600000e-01 -1.0723980000e+00  4.1074800000e-01  8.6410000000e-03 -7.3753200000e-01  8.0628300000e-01 -7.0326800000e-01 -2.0137120000e+00
-ENERGY -1.526595539715e+02
-FORCES -3.0800000000e-03 -8.3140000000e-04  4.4843000000e-03 -3.1580000000e-04 -2.6004000000e-03 -3.0738000000e-03  3.3890000000e-03  3.8092000000e-03  2.3530000000e-04 -3.0180000000e-04  5.5689000000e-03  9.2330000000e-04  1.0607000000e-03 -5.9525000000e-03 -6.3160000000e-03 -7.5210000000e-04  6.1000000000e-06  3.7469000000e-03
-
-JOB 39
-COORDS -2.5403100000e-01 -1.3836170000e+00  4.9006800000e-01  5.3331500000e-01 -1.4155450000e+00  1.0334830000e+00 -9.5820200000e-01 -1.6722420000e+00  1.0706460000e+00  3.1615300000e-01  1.4164790000e+00 -5.4351000000e-01 -3.5974700000e-01  1.9424130000e+00 -9.7104400000e-01 -1.3502300000e-01  6.1471400000e-01 -2.7922700000e-01
-ENERGY -1.526612455936e+02
-FORCES  1.5535000000e-03 -3.5999000000e-03  5.3517000000e-03 -4.6831000000e-03  1.7030000000e-04 -2.3635000000e-03  3.4222000000e-03  1.5405000000e-03 -2.5836000000e-03 -4.5106000000e-03 -5.6744000000e-03  3.5490000000e-04  1.7048000000e-03 -2.2733000000e-03  1.7392000000e-03  2.5132000000e-03  9.8368000000e-03 -2.4987000000e-03
-
-JOB 40
-COORDS -7.3078800000e-01 -1.0458240000e+00 -7.6719800000e-01 -1.2234240000e+00 -1.3990870000e+00 -2.6423000000e-02 -1.3837950000e+00 -9.3347100000e-01 -1.4579880000e+00  8.5002700000e-01  1.0735030000e+00  8.1040300000e-01  7.4633700000e-01  2.8718000000e-01  2.7451400000e-01  7.4070000000e-02  1.5996220000e+00  6.1722100000e-01
-ENERGY -1.526598064015e+02
-FORCES -5.2387000000e-03 -1.5570000000e-03 -7.1160000000e-04  2.3663000000e-03  2.2895000000e-03 -3.7297000000e-03  2.2297000000e-03 -5.9820000000e-04  3.7360000000e-03 -5.7750000000e-03 -3.8198000000e-03 -6.5080000000e-03  3.9973000000e-03  4.0388000000e-03  5.5053000000e-03  2.4205000000e-03 -3.5330000000e-04  1.7079000000e-03
-
-JOB 41
-COORDS -1.3562370000e+00  5.7146600000e-01 -1.4911500000e-01 -2.1133680000e+00  3.6959100000e-01  4.0064100000e-01 -1.5394690000e+00  1.4433160000e+00 -4.9916400000e-01  1.4671590000e+00 -6.4171000000e-01  1.6938300000e-01  9.7780900000e-01  1.3319000000e-01  4.4560400000e-01  1.0430510000e+00 -9.1616300000e-01 -6.4366000000e-01
-ENERGY -1.526589923772e+02
-FORCES -5.5205000000e-03  1.5665000000e-03  1.0310000000e-03  3.1827000000e-03  1.5814000000e-03 -2.8106000000e-03  1.4638000000e-03 -4.0898000000e-03  1.9692000000e-03 -9.0772000000e-03  3.2302000000e-03 -2.6893000000e-03  6.1449000000e-03 -1.6477000000e-03  7.9880000000e-04  3.8064000000e-03 -6.4060000000e-04  1.7008000000e-03
-
-JOB 42
-COORDS -4.8943000000e-02 -1.1111560000e+00  1.0648890000e+00  6.7819800000e-01 -1.5822820000e+00  1.4717530000e+00 -7.9679000000e-02 -1.4452130000e+00  1.6840000000e-01  3.9010000000e-02  1.2175330000e+00 -1.0132180000e+00 -7.4958000000e-01  7.7800400000e-01 -6.9514100000e-01  3.7521000000e-01  6.4063800000e-01 -1.6990700000e+00
-ENERGY -1.526522116919e+02
-FORCES  5.1682000000e-03 -1.4984000000e-03 -1.8887000000e-03 -3.1175000000e-03  1.5919000000e-03 -1.8962000000e-03 -1.5247000000e-03  2.3018000000e-03  2.4584000000e-03 -1.7348000000e-03 -4.6324000000e-03  2.2200000000e-03  2.6097000000e-03  1.0809000000e-03 -4.1081000000e-03 -1.4008000000e-03  1.1562000000e-03  3.2146000000e-03
-
-JOB 43
-COORDS -1.2681150000e+00 -1.2260900000e-01  7.9030300000e-01 -1.2954510000e+00 -4.5036500000e-01  1.6892250000e+00 -1.9269200000e+00  5.7143800000e-01  7.6778000000e-01  1.3177030000e+00  1.7685600000e-01 -8.3360600000e-01  5.0314000000e-01 -3.2552600000e-01 -8.1539300000e-01  1.9996210000e+00 -4.7711600000e-01 -9.8703300000e-01
-ENERGY -1.526576944948e+02
-FORCES -1.4192000000e-03  2.9447000000e-03  4.6246000000e-03 -6.0900000000e-04  1.3224000000e-03 -3.6651000000e-03  2.4052000000e-03 -3.3035000000e-03  4.5640000000e-04 -4.1558000000e-03 -4.0868000000e-03  1.7914000000e-03  6.5406000000e-03  1.0033000000e-03 -4.4128000000e-03 -2.7618000000e-03  2.1199000000e-03  1.2055000000e-03
-
-JOB 44
-COORDS  4.2524800000e-01 -1.4228930000e+00  1.1880400000e-01 -1.0804000000e-02 -2.1325410000e+00  5.9049300000e-01  1.1582170000e+00 -1.8464920000e+00 -3.2790800000e-01 -4.6036100000e-01  1.5245440000e+00 -6.5631000000e-02 -1.6525900000e-01  6.1759700000e-01 -1.4683200000e-01 -4.7134000000e-01  1.8546910000e+00 -9.6402600000e-01
-ENERGY -1.526610235645e+02
-FORCES  8.9000000000e-04 -5.3406000000e-03  1.4420000000e-03  2.9431000000e-03  2.1496000000e-03 -2.5659000000e-03 -3.6302000000e-03  1.3728000000e-03  1.9815000000e-03  1.9987000000e-03 -6.3896000000e-03 -2.3816000000e-03 -2.5734000000e-03  9.6031000000e-03 -1.2790000000e-03  3.7180000000e-04 -1.3953000000e-03  2.8030000000e-03
-
-JOB 45
-COORDS -2.4092800000e-01  4.2187200000e-01  1.4810470000e+00  1.9517900000e-01  6.2552200000e-01  2.3084340000e+00 -1.9505400000e-01 -5.3187300000e-01  1.4139780000e+00  2.6005300000e-01 -3.8071800000e-01 -1.4765070000e+00  2.0972000000e-01 -9.7858000000e-01 -2.2223350000e+00 -5.0249700000e-01  1.8955300000e-01 -1.5741780000e+00
-ENERGY -1.526556784947e+02
-FORCES  3.4548000000e-03 -4.1843000000e-03  9.6140000000e-04 -1.5541000000e-03 -9.7230000000e-04 -3.3242000000e-03 -1.5852000000e-03  3.8994000000e-03  2.9732000000e-03 -3.6504000000e-03  2.6121000000e-03 -3.0630000000e-03  2.8030000000e-04  2.2532000000e-03  3.8426000000e-03  3.0546000000e-03 -3.6081000000e-03 -1.3900000000e-03
-
-JOB 46
-COORDS  4.0365600000e-01  1.2696420000e+00 -8.1879500000e-01  3.5395000000e-02  2.0536360000e+00 -1.2261880000e+00  7.7511000000e-02  5.4567200000e-01 -1.3533310000e+00 -3.6566500000e-01 -1.2484090000e+00  9.4163300000e-01  3.8425200000e-01 -1.5495850000e+00  4.2865200000e-01 -1.1084110000e+00 -1.3124870000e+00  3.4125400000e-01
-ENERGY -1.526510476661e+02
-FORCES -3.3280000000e-03 -2.0720000000e-04 -2.4116000000e-03  1.2318000000e-03 -3.6125000000e-03  2.1635000000e-03  1.5702000000e-03  1.7544000000e-03  1.7026000000e-03  1.1049000000e-03  1.1809000000e-03 -3.9771000000e-03 -3.8762000000e-03  6.3530000000e-04  1.1398000000e-03  3.2972000000e-03  2.4910000000e-04  1.3828000000e-03
-
-JOB 47
-COORDS -4.1602000000e-02  1.5989850000e+00  4.1794700000e-01 -5.9075000000e-02  7.3943300000e-01 -2.8830000000e-03 -6.9896900000e-01  1.5401730000e+00  1.1112310000e+00  1.2083500000e-01 -1.4942060000e+00 -4.4904300000e-01 -4.9300200000e-01 -1.9999240000e+00 -9.8166400000e-01  4.1585000000e-02 -1.8680640000e+00  4.2855700000e-01
-ENERGY -1.526598865909e+02
-FORCES -1.8978000000e-03 -6.6177000000e-03 -1.0420000000e-03 -8.5320000000e-04  8.7378000000e-03  3.8233000000e-03  2.3100000000e-03 -1.0050000000e-04 -2.0422000000e-03 -1.7474000000e-03 -6.7934000000e-03  4.0910000000e-04  2.7593000000e-03  2.1615000000e-03  3.0663000000e-03 -5.7100000000e-04  2.6122000000e-03 -4.2145000000e-03
-
-JOB 48
-COORDS  5.0550100000e-01  1.3148670000e+00 -6.8066000000e-01  4.5109900000e-01  2.2704790000e+00 -6.7185700000e-01  1.4402910000e+00  1.1269230000e+00 -5.9654200000e-01 -5.9814200000e-01 -1.4044380000e+00  6.6111800000e-01 -3.4057000000e-01 -6.8675200000e-01  8.2486000000e-02 -5.6825000000e-02 -1.2891370000e+00  1.4420870000e+00
-ENERGY -1.526592773583e+02
-FORCES  2.7655000000e-03  5.9670000000e-03 -5.3070000000e-04  1.5266000000e-03 -4.0099000000e-03 -2.4830000000e-04 -4.9142000000e-03  1.1810000000e-04  5.3370000000e-04  2.6611000000e-03  6.7924000000e-03 -4.8830000000e-04 -6.4430000000e-04 -7.9197000000e-03  3.2425000000e-03 -1.3947000000e-03 -9.4790000000e-04 -2.5088000000e-03
-
-JOB 49
-COORDS -3.1680000000e-02 -1.3874890000e+00 -9.2315500000e-01  2.0226900000e-01 -1.9900070000e+00 -2.1713000000e-01 -3.3696600000e-01 -5.9900100000e-01 -4.7446900000e-01  6.1876000000e-02  1.3123210000e+00  8.5881800000e-01 -6.0739600000e-01  1.7321720000e+00  1.3992180000e+00  2.8199200000e-01  1.9678990000e+00  1.9700500000e-01
-ENERGY -1.526598580093e+02
-FORCES  5.2910000000e-04  3.5669000000e-03  7.1705000000e-03 -9.9660000000e-04  1.1519000000e-03 -2.7762000000e-03 -5.3040000000e-04 -6.1613000000e-03 -5.7774000000e-03 -1.5260000000e-04  6.8349000000e-03  1.0089000000e-03  3.0811000000e-03 -2.0303000000e-03 -2.7583000000e-03 -1.9307000000e-03 -3.3621000000e-03  3.1326000000e-03
-
-JOB 50
-COORDS -1.6231900000e-01  7.1726700000e-01  1.4113420000e+00  1.9751300000e-01  6.5510000000e-02  2.0129780000e+00  2.0608600000e-01  1.5487440000e+00  1.7099310000e+00  8.8503000000e-02 -7.4212800000e-01 -1.5206190000e+00  3.3816900000e-01  1.3985400000e-01 -1.2449260000e+00  3.9400900000e-01 -1.3101490000e+00 -8.1333500000e-01
-ENERGY -1.526559845381e+02
-FORCES  1.5177000000e-03  9.1090000000e-04  5.6406000000e-03 -1.1298000000e-03  2.5052000000e-03 -3.5364000000e-03 -1.4033000000e-03 -3.8900000000e-03 -2.1170000000e-03  7.0410000000e-04  3.3923000000e-03  7.7086000000e-03  6.6010000000e-04 -3.0730000000e-03 -4.6064000000e-03 -3.4880000000e-04  1.5460000000e-04 -3.0894000000e-03
-
-JOB 51
-COORDS  2.9759600000e-01  8.4758800000e-01  1.4579590000e+00 -3.3826200000e-01  7.1205200000e-01  7.5543100000e-01  8.9349800000e-01  1.0163400000e-01  1.3895080000e+00 -3.0894500000e-01 -7.6710000000e-01 -1.3471400000e+00 -8.8390800000e-01 -7.8897500000e-01 -2.1121050000e+00  4.9980300000e-01 -1.1851530000e+00 -1.6427610000e+00
-ENERGY -1.526583807685e+02
-FORCES -1.1125000000e-03 -5.2893000000e-03 -6.1666000000e-03  1.4262000000e-03  3.2694000000e-03  5.7042000000e-03 -6.3320000000e-04  2.7181000000e-03  1.3852000000e-03  1.1737000000e-03 -2.2867000000e-03 -5.6305000000e-03  2.7415000000e-03  3.0800000000e-05  3.2195000000e-03 -3.5957000000e-03  1.5577000000e-03  1.4882000000e-03
-
-JOB 52
-COORDS  5.4581400000e-01  8.4638400000e-01  1.3359270000e+00 -3.3476400000e-01  9.7839900000e-01  1.6871910000e+00  5.6170500000e-01  1.3604060000e+00  5.2861000000e-01 -5.4957000000e-01 -8.9364900000e-01 -1.2958210000e+00 -1.3793800000e-01 -6.8710400000e-01 -2.1349450000e+00  1.7988300000e-01 -9.5332100000e-01 -6.7891900000e-01
-ENERGY -1.526575639347e+02
-FORCES -5.6352000000e-03  3.8877000000e-03 -1.4262000000e-03  4.2030000000e-03 -1.5530000000e-04 -7.6010000000e-04  1.3449000000e-03 -2.8381000000e-03  3.1887000000e-03  4.9559000000e-03 -8.3800000000e-04  8.2630000000e-04 -1.4533000000e-03  1.0370000000e-04  3.8101000000e-03 -3.4154000000e-03 -1.6000000000e-04 -5.6388000000e-03
-
-JOB 53
-COORDS  9.5429900000e-01  5.2020100000e-01 -1.2409490000e+00  1.4376560000e+00  1.3226360000e+00 -1.4376630000e+00  1.6109070000e+00 -7.1535000000e-02 -8.7360000000e-01 -1.0775160000e+00 -5.6647200000e-01  1.2522510000e+00 -9.8598400000e-01 -1.1907900000e-01  4.1100600000e-01 -2.3877700000e-01 -4.2564300000e-01  1.6914720000e+00
-ENERGY -1.526580919920e+02
-FORCES  6.1633000000e-03  1.2109000000e-03 -1.4533000000e-03 -1.7989000000e-03 -3.8287000000e-03  1.0920000000e-03 -3.3000000000e-03  3.1933000000e-03 -6.6580000000e-04  4.4097000000e-03  3.9188000000e-03 -3.7633000000e-03 -2.9043000000e-03 -3.1567000000e-03  5.6460000000e-03 -2.5698000000e-03 -1.3376000000e-03 -8.5560000000e-04
-
-JOB 54
-COORDS  1.1235580000e+00  4.6320500000e-01 -1.1806500000e+00  1.2203470000e+00  9.2271000000e-02 -3.0356900000e-01  1.5717050000e+00 -1.5795900000e-01 -1.7547160000e+00 -1.1569330000e+00 -4.5614500000e-01  1.2088200000e+00 -8.7096100000e-01  4.5146200000e-01  1.3122740000e+00 -1.4181010000e+00 -5.2225900000e-01  2.9031400000e-01
-ENERGY -1.526575066636e+02
-FORCES  3.4581000000e-03 -4.6847000000e-03  1.3666000000e-03 -4.6680000000e-04  3.2167000000e-03 -4.4518000000e-03 -2.0416000000e-03  2.4586000000e-03  2.3543000000e-03 -2.1835000000e-03  4.4410000000e-03 -4.3340000000e-03  3.6650000000e-04 -4.5729000000e-03  1.8040000000e-04  8.6720000000e-04 -8.5860000000e-04  4.8845000000e-03
-
-JOB 55
-COORDS  8.3410000000e-03 -1.2609080000e+00 -1.1702690000e+00  4.6106300000e-01 -2.0726920000e+00 -9.4161800000e-01 -2.1358800000e-01 -8.6440300000e-01 -3.2779500000e-01 -5.8201000000e-02  1.2318450000e+00  1.1038520000e+00  7.5184600000e-01  1.4635750000e+00  1.5581180000e+00 -3.1605300000e-01  2.0336100000e+00  6.4897200000e-01
-ENERGY -1.526589424262e+02
-FORCES  6.0090000000e-04  6.3880000000e-04  5.8363000000e-03 -1.3907000000e-03  3.0053000000e-03 -6.7800000000e-04  2.8810000000e-04 -5.7557000000e-03 -5.8760000000e-03  2.8392000000e-03  6.0797000000e-03 -1.8130000000e-04 -3.5810000000e-03 -8.0430000000e-04 -1.7259000000e-03  1.2436000000e-03 -3.1638000000e-03  2.6250000000e-03
-
-JOB 56
-COORDS  1.0592910000e+00 -4.4117600000e-01  1.2542320000e+00  9.8801600000e-01  5.0127800000e-01  1.1028000000e+00  1.9639920000e+00 -6.5338900000e-01  1.0246380000e+00 -1.1674850000e+00  3.7848300000e-01 -1.2552450000e+00 -4.4034800000e-01 -2.2300300000e-01 -1.0948770000e+00 -8.3479000000e-01  1.2345110000e+00 -9.8550200000e-01
-ENERGY -1.526548927330e+02
-FORCES  4.2074000000e-03  3.0835000000e-03  1.6848000000e-03 -5.4800000000e-05 -4.2349000000e-03 -1.2359000000e-03 -4.6732000000e-03  1.0208000000e-03  1.7760000000e-04  4.4754000000e-03 -8.0050000000e-04  3.1639000000e-03 -3.3009000000e-03  3.9252000000e-03 -3.3357000000e-03 -6.5380000000e-04 -2.9940000000e-03 -4.5470000000e-04
-
-JOB 57
-COORDS -8.7393900000e-01 -8.6656900000e-01  1.3026710000e+00  5.0675000000e-02 -7.3404300000e-01  1.0934860000e+00 -1.3198730000e+00 -1.1993900000e-01  9.0277200000e-01  8.4230100000e-01  7.5370600000e-01 -1.2894980000e+00  1.5032100000e-01  1.3786720000e+00 -1.0731330000e+00  1.6551260000e+00  1.2130510000e+00 -1.0784260000e+00
-ENERGY -1.526553429898e+02
-FORCES  3.3404000000e-03  3.1810000000e-03 -5.0043000000e-03 -3.9900000000e-03 -8.7700000000e-04  3.7931000000e-03  8.6090000000e-04 -1.7524000000e-03  1.9414000000e-03  1.1856000000e-03  5.7014000000e-03 -9.8160000000e-04  2.4983000000e-03 -3.7229000000e-03  5.5490000000e-04 -3.8952000000e-03 -2.5301000000e-03 -3.0350000000e-04
-
-JOB 58
-COORDS -4.8095200000e-01 -1.0033710000e+00  1.2894040000e+00  2.8812400000e-01 -6.5531900000e-01  1.7406400000e+00 -1.1445380000e+00 -1.0851300000e+00  1.9743870000e+00  5.2499800000e-01  1.0370650000e+00 -1.3226440000e+00  1.0087300000e-01  9.5409500000e-01 -2.1767320000e+00  1.5485700000e-01  3.2515000000e-01 -8.0072000000e-01
-ENERGY -1.526590246033e+02
-FORCES -7.4850000000e-04  2.9270000000e-04  6.8643000000e-03 -3.7781000000e-03 -1.4547000000e-03 -2.7420000000e-03  3.2654000000e-03  1.2700000000e-05 -2.3348000000e-03 -4.2958000000e-03 -4.3214000000e-03 -1.9160000000e-04  1.5010000000e-03  4.4010000000e-04  2.9804000000e-03  4.0561000000e-03  5.0305000000e-03 -4.5762000000e-03
-
-JOB 59
-COORDS -1.5178900000e+00 -3.7740300000e-01 -8.1278500000e-01 -1.5559480000e+00  4.7790700000e-01 -1.2408370000e+00 -1.7061120000e+00 -1.9374400000e-01  1.0758100000e-01  1.5622740000e+00  3.6192200000e-01  8.0674600000e-01  1.0622260000e+00  3.5021300000e-01 -9.3700000000e-03  1.3955630000e+00 -4.9347700000e-01  1.2026400000e+00
-ENERGY -1.526571620181e+02
-FORCES -4.3023000000e-03  4.1698000000e-03  1.7824000000e-03  1.5128000000e-03 -3.9729000000e-03  2.1163000000e-03  1.7745000000e-03 -1.2484000000e-03 -4.3806000000e-03 -2.9089000000e-03 -5.1372000000e-03 -3.2194000000e-03  3.2700000000e-03  2.4657000000e-03  4.1724000000e-03  6.5390000000e-04  3.7229000000e-03 -4.7110000000e-04
-
-JOB 60
-COORDS -4.6461900000e-01 -6.6630700000e-01  1.5124730000e+00 -1.9078600000e-01  1.9757000000e-02  2.1212120000e+00 -1.3070710000e+00 -9.6711300000e-01  1.8530910000e+00  5.3603600000e-01  6.2476000000e-01 -1.5214960000e+00 -4.1734000000e-01  5.5203600000e-01 -1.5664160000e+00  7.7561500000e-01  1.1247160000e+00 -2.3018020000e+00
-ENERGY -1.526537681009e+02
-FORCES -7.7870000000e-04  1.9621000000e-03  4.5350000000e-03 -1.6959000000e-03 -3.1690000000e-03 -1.9721000000e-03  3.3535000000e-03  1.4150000000e-03 -2.1973000000e-03 -3.8974000000e-03  5.5000000000e-04 -2.4159000000e-03  3.8614000000e-03  1.3072000000e-03 -1.5289000000e-03 -8.4290000000e-04 -2.0652000000e-03  3.5794000000e-03
-
-JOB 61
-COORDS -9.2819500000e-01  1.6198080000e+00 -7.4650000000e-03 -5.8214100000e-01  7.2995100000e-01  6.0605000000e-02 -1.8524990000e+00  1.5017560000e+00 -2.2645500000e-01  9.9253800000e-01 -1.5475610000e+00  7.2761000000e-02  8.7870500000e-01 -1.0526010000e+00 -7.3858900000e-01  5.2350900000e-01 -2.3680820000e+00 -7.8861000000e-02
-ENERGY -1.526556295994e+02
-FORCES -2.2203000000e-03 -4.3651000000e-03  1.3753000000e-03 -1.9912000000e-03  5.0548000000e-03 -3.4558000000e-03  3.8370000000e-03  3.1580000000e-04  5.9650000000e-04  2.7330000000e-04 -4.0032000000e-03 -4.5203000000e-03 -1.7539000000e-03 -1.0617000000e-03  5.3705000000e-03  1.8552000000e-03  4.0594000000e-03  6.3380000000e-04
-
-JOB 62
-COORDS  1.5783990000e+00 -8.1045600000e-01 -5.9004800000e-01  1.7543300000e+00  8.5605000000e-02 -3.0307200000e-01  1.2056670000e+00 -7.1300500000e-01 -1.4662930000e+00 -1.5219030000e+00  8.1209100000e-01  6.4221600000e-01 -1.8438230000e+00  7.9283000000e-02  1.1671850000e+00 -1.9466770000e+00  7.0268300000e-01 -2.0856600000e-01
-ENERGY -1.526548058547e+02
-FORCES -2.0408000000e-03  5.4006000000e-03 -1.2262000000e-03  9.2050000000e-04 -4.0140000000e-03 -1.9193000000e-03  1.3656000000e-03 -8.0000000000e-04  2.9597000000e-03 -2.7296000000e-03 -4.8347000000e-03 -7.9520000000e-04  5.1350000000e-04  3.4988000000e-03 -2.0245000000e-03  1.9707000000e-03  7.4930000000e-04  3.0055000000e-03
-
-JOB 63
-COORDS -1.7314340000e+00 -4.2323600000e-01 -3.5185500000e-01 -1.4793890000e+00 -1.2898590000e+00 -3.2997000000e-02 -2.3969770000e+00 -5.9667400000e-01 -1.0175900000e+00  1.7970240000e+00  4.6201500000e-01  3.2424200000e-01  1.4686580000e+00  1.3422220000e+00  5.0766400000e-01  1.3928530000e+00 -8.9355000000e-02  9.9421900000e-01
-ENERGY -1.526541448640e+02
-FORCES -1.3274000000e-03 -4.4719000000e-03 -2.6915000000e-03 -9.7270000000e-04  3.7122000000e-03 -3.5860000000e-04  2.6363000000e-03  7.2990000000e-04  2.8396000000e-03 -5.2179000000e-03  1.8617000000e-03  2.6534000000e-03  2.5628000000e-03 -3.0508000000e-03 -2.6340000000e-04  2.3189000000e-03  1.2189000000e-03 -2.1796000000e-03
-
-JOB 64
-COORDS  1.1262700000e-01 -1.2873300000e+00 -1.3244620000e+00 -3.5371700000e-01 -1.2423610000e+00 -4.8975700000e-01 -1.9080600000e-01 -2.1018740000e+00 -1.7253100000e+00 -9.3830000000e-02  1.2925100000e+00  1.2489860000e+00  5.9627400000e-01  1.9347770000e+00  1.0832090000e+00 -2.7586600000e-01  1.3721240000e+00  2.1853390000e+00
-ENERGY -1.526560319785e+02
-FORCES -3.3419000000e-03 -1.6653000000e-03  2.9447000000e-03  1.5767000000e-03 -2.8803000000e-03 -4.7773000000e-03  1.1712000000e-03  3.2046000000e-03  1.6781000000e-03  3.0920000000e-03  4.2230000000e-03  2.5702000000e-03 -3.1288000000e-03 -2.2111000000e-03  1.5571000000e-03  6.3080000000e-04 -6.7090000000e-04 -3.9729000000e-03
-
-JOB 65
-COORDS  6.6645300000e-01 -1.7511930000e+00  1.7057000000e-02  9.1899600000e-01 -2.2063750000e+00 -7.8622600000e-01  1.3780290000e+00 -1.9343510000e+00  6.3052600000e-01 -7.3311700000e-01  1.8177220000e+00  4.6461000000e-02 -3.0336000000e-02  2.0133660000e+00 -5.7326000000e-01 -1.1657650000e+00  1.0452700000e+00 -3.1735900000e-01
-ENERGY -1.526553236358e+02
-FORCES  4.5659000000e-03 -3.0263000000e-03  5.7560000000e-04 -1.2878000000e-03  2.4404000000e-03  3.1025000000e-03 -2.7882000000e-03  3.0520000000e-04 -2.9540000000e-03  1.8977000000e-03 -4.6091000000e-03 -3.5620000000e-03 -2.7456000000e-03  1.8430000000e-04  2.1253000000e-03  3.5800000000e-04  4.7055000000e-03  7.1270000000e-04
-
-JOB 66
-COORDS -1.9344930000e+00  4.7919000000e-02 -4.6753200000e-01 -1.3095570000e+00  5.9151600000e-01  1.2249000000e-02 -2.0496760000e+00 -7.2729000000e-01  8.2026000000e-02  1.8898510000e+00 -1.0271500000e-01  4.3600500000e-01  1.9633280000e+00  6.9236600000e-01  9.6390600000e-01  2.0906720000e+00  1.8179400000e-01 -4.5559900000e-01
-ENERGY -1.526554913141e+02
-FORCES  3.5745000000e-03 -1.9806000000e-03  4.6956000000e-03 -3.6219000000e-03 -6.7870000000e-04 -2.1744000000e-03 -5.8340000000e-04  3.1388000000e-03 -2.2327000000e-03  2.9694000000e-03  3.7120000000e-03 -2.2493000000e-03 -1.4905000000e-03 -3.3319000000e-03 -2.3056000000e-03 -8.4810000000e-04 -8.5960000000e-04  4.2664000000e-03
-
-JOB 67
-COORDS -3.6388600000e-01 -1.8978180000e+00  4.5482500000e-01 -1.0763600000e-01 -2.7357810000e+00  6.9618000000e-02 -4.0397000000e-02 -1.9384670000e+00  1.3547890000e+00  2.7804700000e-01  1.9860290000e+00 -4.8947800000e-01  3.4316400000e-01  1.0546920000e+00 -2.7828600000e-01  1.1861460000e+00  2.2832570000e+00 -5.4643600000e-01
-ENERGY -1.526564321971e+02
-FORCES  1.2294000000e-03 -5.4987000000e-03  2.3009000000e-03 -9.4950000000e-04  3.5631000000e-03  1.9198000000e-03 -8.9420000000e-04  6.4410000000e-04 -4.2285000000e-03  3.1076000000e-03 -3.8339000000e-03  4.2080000000e-04  9.2620000000e-04  6.2475000000e-03 -7.3230000000e-04 -3.4196000000e-03 -1.1220000000e-03  3.1930000000e-04
-
-JOB 68
-COORDS  1.3624070000e+00  1.2920720000e+00 -9.2461500000e-01  1.0813370000e+00  3.7726300000e-01 -9.4350600000e-01  5.8207700000e-01  1.7773990000e+00 -6.5670700000e-01 -1.2629980000e+00 -1.2760340000e+00  8.6642300000e-01 -1.7006010000e+00 -1.9661280000e+00  1.3649260000e+00 -1.6187600000e+00 -4.6129000000e-01  1.2211870000e+00
-ENERGY -1.526557042603e+02
-FORCES -4.5823000000e-03 -2.9717000000e-03  1.1388000000e-03  2.0156000000e-03  4.8671000000e-03 -6.9300000000e-04  2.9298000000e-03 -1.3501000000e-03 -7.7600000000e-04 -3.7777000000e-03 -6.4930000000e-04  4.4040000000e-03  1.6374000000e-03  3.0730000000e-03 -1.9659000000e-03  1.7772000000e-03 -2.9689000000e-03 -2.1078000000e-03
-
-JOB 69
-COORDS -8.1114800000e-01  1.7058220000e+00  1.1420480000e+00 -4.0496000000e-01  2.5368640000e+00  1.3882410000e+00 -1.1039000000e-01  1.2135780000e+00  7.1441700000e-01  7.8608500000e-01 -1.6683510000e+00 -1.1348050000e+00  9.9380800000e-01 -2.4991250000e+00 -7.0714000000e-01 -8.5723000000e-02 -1.8013920000e+00 -1.5069380000e+00
-ENERGY -1.526561947294e+02
-FORCES  4.9519000000e-03  8.1890000000e-04 -1.1326000000e-03 -1.6279000000e-03 -3.1950000000e-03 -8.8310000000e-04 -3.5558000000e-03  3.2307000000e-03  2.5161000000e-03 -2.8022000000e-03 -4.9285000000e-03 -2.8490000000e-04 -8.3170000000e-04  3.4667000000e-03 -1.8486000000e-03  3.8656000000e-03  6.0720000000e-04  1.6331000000e-03
-
-JOB 70
-COORDS  1.2065000000e-01 -1.1685210000e+00  1.8556860000e+00 -3.8811100000e-01 -3.6635200000e-01  1.9736660000e+00  9.3811900000e-01 -1.0056350000e+00  2.3262660000e+00 -1.3141700000e-01  1.0844240000e+00 -1.8237000000e+00 -8.5747400000e-01  9.9435300000e-01 -2.4409200000e+00  5.2409900000e-01  1.5964660000e+00 -2.2973500000e+00
-ENERGY -1.526539299566e+02
-FORCES  1.2804000000e-03  4.7485000000e-03  1.0787000000e-03  1.8079000000e-03 -3.6168000000e-03  6.4130000000e-04 -3.1683000000e-03 -8.4060000000e-04 -1.5888000000e-03 -1.6570000000e-04  1.0370000000e-03 -4.7827000000e-03  2.9345000000e-03  6.3860000000e-04  2.5814000000e-03 -2.6888000000e-03 -1.9667000000e-03  2.0701000000e-03
-
-JOB 71
-COORDS -7.1747800000e-01 -8.1047100000e-01  1.9538240000e+00 -7.7719600000e-01 -8.0020500000e-01  2.9091040000e+00 -4.6518700000e-01  8.2663000000e-02  1.7195280000e+00  7.0710200000e-01  7.0564100000e-01 -2.0263880000e+00  1.4718170000e+00  1.2053240000e+00 -1.7404510000e+00 -3.9676000000e-02  1.1787460000e+00 -1.6593380000e+00
-ENERGY -1.526531836030e+02
-FORCES  1.0659000000e-03  3.3524000000e-03  2.8837000000e-03  2.7850000000e-04 -3.5800000000e-05 -4.0313000000e-03 -1.3497000000e-03 -3.1291000000e-03  9.1830000000e-04  4.6000000000e-06  3.5337000000e-03  2.0518000000e-03 -3.3480000000e-03 -1.9897000000e-03 -8.7790000000e-04  3.3486000000e-03 -1.7315000000e-03 -9.4450000000e-04
-
-JOB 72
-COORDS  1.5141120000e+00 -6.6408600000e-01 -1.5027920000e+00  2.3544650000e+00 -2.3680000000e-01 -1.6685200000e+00  1.7343050000e+00 -1.4279890000e+00 -9.6968900000e-01 -1.5505870000e+00  6.3599800000e-01  1.5393180000e+00 -2.4369910000e+00  8.4925500000e-01  1.2477010000e+00 -9.7926900000e-01  1.1338710000e+00  9.5455300000e-01
-ENERGY -1.526551803330e+02
-FORCES  4.4262000000e-03 -2.2237000000e-03  1.5292000000e-03 -3.5948000000e-03 -1.5226000000e-03  7.7170000000e-04 -5.6370000000e-04  3.2680000000e-03 -2.5119000000e-03 -8.6460000000e-04  2.5824000000e-03 -4.4557000000e-03  3.3768000000e-03 -7.6190000000e-04  1.3671000000e-03 -2.7799000000e-03 -1.3422000000e-03  3.2996000000e-03
-
-JOB 73
-COORDS -9.7629800000e-01  1.1180120000e+00  1.8834730000e+00 -1.0121790000e+00  3.5844700000e-01  1.3020910000e+00 -4.5995300000e-01  1.7644820000e+00  1.4021250000e+00  9.2333900000e-01 -1.1482880000e+00 -1.8639930000e+00  1.8453860000e+00 -9.4517000000e-01 -1.7064980000e+00  4.5313500000e-01 -6.7922200000e-01 -1.1747060000e+00
-ENERGY -1.526527470012e+02
-FORCES  1.1414000000e-03 -2.2400000000e-05 -3.6492000000e-03  1.1327000000e-03  3.2742000000e-03  1.6221000000e-03 -1.9288000000e-03 -3.3729000000e-03  1.7309000000e-03  2.5031000000e-03  2.3786000000e-03  3.0625000000e-03 -4.1286000000e-03 -7.1480000000e-04 -6.4840000000e-04  1.2802000000e-03 -1.5427000000e-03 -2.1179000000e-03
-
-JOB 74
-COORDS -1.3683500000e+00 -7.6768500000e-01 -1.9497570000e+00 -1.5105600000e+00 -1.6440410000e+00 -2.3075400000e+00 -2.2350940000e+00 -3.6158300000e-01 -1.9579040000e+00  1.4762620000e+00  8.2716200000e-01  1.9472990000e+00  1.4282680000e+00  4.7658700000e-01  2.8366950000e+00  6.4634600000e-01  5.7268300000e-01  1.5439230000e+00
-ENERGY -1.526546978797e+02
-FORCES -4.0460000000e-03 -2.0656000000e-03 -2.2989000000e-03  4.4990000000e-04  3.6463000000e-03  1.5753000000e-03  3.6303000000e-03 -1.7011000000e-03  3.6950000000e-04 -3.7403000000e-03 -2.7162000000e-03  1.1970000000e-03  2.1540000000e-04  1.4287000000e-03 -3.4572000000e-03  3.4908000000e-03  1.4078000000e-03  2.6143000000e-03
-
-JOB 75
-COORDS -3.4061300000e-01  2.4792450000e+00 -2.6263000000e-02 -4.0806200000e-01  3.2132260000e+00  5.8443700000e-01 -9.1547800000e-01  2.7183670000e+00 -7.5329900000e-01  3.9047100000e-01 -2.5005730000e+00  8.4819000000e-02  9.5151100000e-01 -3.1364230000e+00 -3.5920800000e-01 -4.0935100000e-01 -2.4781410000e+00 -4.4055100000e-01
-ENERGY -1.526533592039e+02
-FORCES -2.4424000000e-03  3.8759000000e-03 -1.8810000000e-04  2.5700000000e-04 -2.9387000000e-03 -2.5870000000e-03  2.2944000000e-03 -1.1162000000e-03  2.8829000000e-03 -1.0041000000e-03 -1.8082000000e-03 -4.0284000000e-03 -2.2648000000e-03  2.5056000000e-03  1.8514000000e-03  3.1599000000e-03 -5.1850000000e-04  2.0693000000e-03
-
-JOB 76
-COORDS -2.0611330000e+00 -3.0551300000e-01 -1.5106550000e+00 -2.6379230000e+00  4.5838800000e-01 -1.5099490000e+00 -2.4386720000e+00 -8.9068500000e-01 -2.1673660000e+00  2.1273080000e+00  2.5668500000e-01  1.4957490000e+00  2.2482960000e+00 -1.6329000000e-02  2.4051760000e+00  1.8490420000e+00  1.1706560000e+00  1.5545530000e+00
-ENERGY -1.526533925669e+02
-FORCES -3.6441000000e-03  5.1730000000e-04 -2.7435000000e-03  2.3899000000e-03 -3.0214000000e-03  1.0700000000e-04  1.4507000000e-03  2.4275000000e-03  2.7006000000e-03 -1.2637000000e-03  2.5041000000e-03  3.6214000000e-03 -3.5580000000e-04  1.1047000000e-03 -3.6513000000e-03  1.4231000000e-03 -3.5321000000e-03 -3.4200000000e-05
-
-JOB 77
-COORDS -1.5325440000e+00 -2.4239580000e+00  4.3377500000e-01 -2.0095720000e+00 -1.7075100000e+00  1.4993000000e-02 -1.2335950000e+00 -2.9703890000e+00 -2.9305000000e-01  1.5609780000e+00  2.3551810000e+00 -3.4281700000e-01  1.2710820000e+00  2.5052440000e+00 -1.2426360000e+00  1.5326210000e+00  3.2202780000e+00  6.5883000000e-02
-ENERGY -1.526537785984e+02
-FORCES -2.6090000000e-04  1.0716000000e-03 -4.5978000000e-03  1.6249000000e-03 -3.0839000000e-03  1.5971000000e-03 -1.3672000000e-03  2.0942000000e-03  2.9008000000e-03 -1.1264000000e-03  4.2002000000e-03 -1.7701000000e-03  1.0392000000e-03 -7.4640000000e-04  3.6298000000e-03  9.0300000000e-05 -3.5357000000e-03 -1.7597000000e-03
-
-JOB 78
-COORDS  2.8082300000e-01 -6.3381500000e-01  2.8059300000e+00 -4.4463000000e-01 -1.2304850000e+00  2.6217160000e+00  5.7688100000e-01 -8.7938800000e-01  3.6824440000e+00 -3.0135700000e-01  7.2418800000e-01 -2.8398000000e+00 -7.9629000000e-02 -1.5034000000e-02 -2.2735680000e+00  3.4181000000e-01  6.8564000000e-01 -3.5476710000e+00
-ENERGY -1.526541658079e+02
-FORCES -1.8983000000e-03 -3.1920000000e-03  3.1482000000e-03  3.1237000000e-03  2.3257000000e-03  5.2910000000e-04 -1.1990000000e-03  9.5050000000e-04 -3.6215000000e-03  3.7884000000e-03 -3.0051000000e-03 -1.4550000000e-04 -1.1507000000e-03  2.7855000000e-03 -2.6647000000e-03 -2.6641000000e-03  1.3540000000e-04  2.7544000000e-03
-
-JOB 79
-COORDS  1.4612390000e+00  6.1450600000e-01 -2.8641110000e+00  2.3797530000e+00  7.5176100000e-01 -3.0958990000e+00  1.3606220000e+00 -3.3695100000e-01 -2.8351810000e+00 -1.5035250000e+00 -5.1173600000e-01  2.9158770000e+00 -2.2041810000e+00 -7.3201100000e-01  2.3020430000e+00 -8.7666000000e-01 -1.2302820000e+00  2.8324290000e+00
-ENERGY -1.526538639991e+02
-FORCES  3.4438000000e-03 -3.1484000000e-03 -8.1600000000e-04 -3.7749000000e-03 -6.2150000000e-04  9.2240000000e-04  3.1610000000e-04  3.7992000000e-03 -4.5900000000e-05 -2.6110000000e-04 -3.5906000000e-03 -3.0435000000e-03  2.8225000000e-03  7.4880000000e-04  2.5991000000e-03 -2.5464000000e-03  2.8124000000e-03  3.8380000000e-04
-
-JOB 80
-COORDS  2.1457560000e+00  1.9104350000e+00 -1.5585480000e+00  3.0703940000e+00  1.9700600000e+00 -1.7988000000e+00  2.1020400000e+00  2.2834090000e+00 -6.7808700000e-01 -2.1867530000e+00 -1.9264380000e+00  1.5926670000e+00 -1.8201120000e+00 -2.6075960000e+00  1.0289030000e+00 -2.6894590000e+00 -1.3685460000e+00  9.9914000000e-01
-ENERGY -1.526543990438e+02
-FORCES  3.6431000000e-03  1.7826000000e-03  2.7472000000e-03 -3.7667000000e-03 -2.5360000000e-04  9.4380000000e-04  1.8780000000e-04 -1.4655000000e-03 -3.6971000000e-03 -4.2110000000e-04 -4.2270000000e-04 -4.9493000000e-03 -1.5630000000e-03  2.6490000000e-03  2.4073000000e-03  1.9200000000e-03 -2.2899000000e-03  2.5481000000e-03
-
-JOB 81
-COORDS  1.8704300000e-01  3.3849130000e+00 -3.6957100000e-01 -1.9145000000e-01  4.2640990000e+00 -3.6685300000e-01  6.9221300000e-01  3.3385980000e+00  4.4214900000e-01 -2.2344000000e-01 -3.4833170000e+00  3.4890000000e-01  2.9042700000e-01 -2.7829250000e+00  7.5092400000e-01 -2.4930600000e-01 -3.2584710000e+00 -5.8115700000e-01
-ENERGY -1.526543347216e+02
-FORCES  4.0290000000e-04  3.6570000000e-03  3.2942000000e-03  1.5893000000e-03 -3.6044000000e-03  6.5000000000e-06 -2.0257000000e-03  7.0000000000e-07 -3.3296000000e-03  1.8861000000e-03  4.0004000000e-03 -2.2983000000e-03 -1.9938000000e-03 -2.9545000000e-03 -1.4679000000e-03  1.4120000000e-04 -1.0991000000e-03  3.7950000000e-03
-
-JOB 82
-COORDS -5.1665600000e-01  1.1882490000e+00 -3.7154380000e+00 -6.0528700000e-01  1.0108950000e+00 -2.7789960000e+00  1.7335500000e-01  1.8493960000e+00 -3.7702220000e+00  4.5874700000e-01 -1.2594280000e+00  3.6898510000e+00  1.6740300000e-01 -3.4765400000e-01  3.6857310000e+00  1.3000130000e+00 -1.2446200000e+00  3.2334700000e+00
-ENERGY -1.526538835957e+02
-FORCES  2.3667000000e-03  1.9256000000e-03  3.5118000000e-03  4.5330000000e-04  7.9470000000e-04 -3.7734000000e-03 -2.8010000000e-03 -2.7135000000e-03  2.9510000000e-04  2.2911000000e-03  3.6770000000e-03 -1.6615000000e-03  1.1943000000e-03 -3.7080000000e-03 -1.3830000000e-04 -3.5044000000e-03  2.4300000000e-05  1.7662000000e-03
-
-JOB 83
-COORDS  4.1339210000e+00  3.4786400000e-01  2.9624100000e-01  3.2189580000e+00  4.9217600000e-01  5.4894000000e-02  4.6130210000e+00  1.0453610000e+00 -1.5118800000e-01 -4.0868230000e+00 -4.4769800000e-01 -2.6955900000e-01 -3.7160420000e+00  3.9083500000e-01 -5.4454300000e-01 -4.9126670000e+00 -2.1696800000e-01  1.5585600000e-01
-ENERGY -1.526539984156e+02
-FORCES -1.8187000000e-03  3.3126000000e-03 -2.8193000000e-03  3.7653000000e-03 -4.7280000000e-04  9.7830000000e-04 -1.9635000000e-03 -2.8151000000e-03  1.8337000000e-03 -1.9933000000e-03  4.3001000000e-03  6.6290000000e-04 -1.3881000000e-03 -3.4085000000e-03  1.1057000000e-03  3.3984000000e-03 -9.1640000000e-04 -1.7613000000e-03
-
-JOB 84
-COORDS -1.6035310000e+00 -3.6721590000e+00  2.2038740000e+00 -2.5312090000e+00 -3.5507890000e+00  2.4061470000e+00 -1.1567240000e+00 -3.5443480000e+00  3.0406890000e+00  1.6813230000e+00  3.6500650000e+00 -2.3027160000e+00  7.8121100000e-01  3.3705480000e+00 -2.4697520000e+00  1.6474820000e+00  4.0661190000e+00 -1.4413300000e+00
-ENERGY -1.526540541286e+02
-FORCES -1.9239000000e-03  9.1340000000e-04  4.2583000000e-03  3.7855000000e-03 -4.4060000000e-04 -8.4410000000e-04 -1.8487000000e-03 -4.7860000000e-04 -3.4207000000e-03 -3.8223000000e-03  4.2270000000e-04  2.8385000000e-03  3.6638000000e-03  1.2275000000e-03  6.7100000000e-04  1.4560000000e-04 -1.6443000000e-03 -3.5032000000e-03
-
-JOB 85
-COORDS  1.9540830000e+00 -3.4491640000e+00 -3.3994780000e+00  2.8845500000e+00 -3.3183730000e+00 -3.5821190000e+00  1.5033840000e+00 -2.9413160000e+00 -4.0741580000e+00 -1.9749820000e+00  3.4005730000e+00  3.5080290000e+00 -1.3449430000e+00  3.8172150000e+00  2.9200740000e+00 -2.7339960000e+00  3.2161950000e+00  2.9547340000e+00
-ENERGY -1.526540360551e+02
-FORCES  1.9898000000e-03  2.5486000000e-03 -3.4955000000e-03 -3.8118000000e-03 -5.1060000000e-04  7.3870000000e-04  1.8212000000e-03 -2.0391000000e-03  2.7672000000e-03 -5.1180000000e-04  8.6660000000e-04 -4.6618000000e-03 -2.5732000000e-03 -1.6601000000e-03  2.3958000000e-03  3.0858000000e-03  7.9460000000e-04  2.2556000000e-03
-
-JOB 86
-COORDS -1.8924000000e-02 -6.0794990000e+00  4.8548600000e-01  3.2973500000e-01 -6.2974430000e+00 -3.7890300000e-01  5.3366900000e-01 -6.5663810000e+00  1.0968940000e+00  2.7110000000e-02  6.1247490000e+00 -4.3504400000e-01 -7.6180000000e-01  5.6359860000e+00 -2.0059900000e-01 -1.4250400000e-01  6.4432510000e+00 -1.3216210000e+00
-ENERGY -1.526541006191e+02
-FORCES  3.7051000000e-03 -2.8681000000e-03 -1.0157000000e-03 -1.4373000000e-03  8.8790000000e-04  3.5164000000e-03 -2.2641000000e-03  1.9770000000e-03 -2.4990000000e-03 -3.9230000000e-03 -7.4260000000e-04 -2.6442000000e-03  3.2181000000e-03  2.0271000000e-03 -9.6480000000e-04  7.0120000000e-04 -1.2813000000e-03  3.6073000000e-03
-
-JOB 87
-COORDS -5.3163070000e+00 -3.9379960000e+00  3.7555400000e-01 -6.1497750000e+00 -3.5164470000e+00  5.8497900000e-01 -4.8575810000e+00 -3.9924480000e+00  1.2139080000e+00  5.3308330000e+00  3.8872780000e+00 -3.7537600000e-01  6.0846570000e+00  4.0318430000e+00 -9.4728700000e-01  4.6099770000e+00  4.3447000000e+00 -8.0823100000e-01
-ENERGY -1.526540896544e+02
-FORCES -1.5001000000e-03  1.4989000000e-03  4.2888000000e-03  3.3896000000e-03 -1.7178000000e-03 -8.6340000000e-04 -1.8905000000e-03  2.1760000000e-04 -3.4230000000e-03  1.2750000000e-04  2.4339000000e-03 -4.1218000000e-03 -3.0695000000e-03 -5.8060000000e-04  2.3406000000e-03  2.9432000000e-03 -1.8520000000e-03  1.7787000000e-03
-
-JOB 88
-COORDS  6.6877180000e+00 -1.2322450000e+00 -2.2982440000e+00  6.5626680000e+00 -7.1738100000e-01 -3.0954330000e+00  6.1134560000e+00 -1.9899440000e+00 -2.4093650000e+00 -6.6372770000e+00  1.2707580000e+00  2.4095890000e+00 -7.2096860000e+00  5.4808100000e-01  2.1520650000e+00 -6.2584350000e+00  1.5815670000e+00  1.5873310000e+00
-ENERGY -1.526540442504e+02
-FORCES -2.8401000000e-03 -9.9110000000e-04 -3.6936000000e-03  5.0150000000e-04 -2.1022000000e-03  3.2493000000e-03  2.3356000000e-03  3.0940000000e-03  4.4540000000e-04 -7.9010000000e-04 -1.6721000000e-03 -4.3903000000e-03  2.3391000000e-03  2.9464000000e-03  1.0432000000e-03 -1.5460000000e-03 -1.2750000000e-03  3.3460000000e-03
-
-JOB 89
-COORDS -1.1310520000e+00  1.7645980000e+00  7.2971590000e+00 -6.2070300000e-01  1.0929210000e+00  7.7495150000e+00 -2.0256820000e+00  1.4242270000e+00  7.2932630000e+00  1.1154180000e+00 -1.6894130000e+00 -7.2619290000e+00  1.3947930000e+00 -1.1291390000e+00 -7.9859970000e+00  1.4025400000e+00 -2.5672890000e+00 -7.5131770000e+00
-ENERGY -1.526540590025e+02
-FORCES -1.5671000000e-03 -4.1395000000e-03  1.7903000000e-03 -2.0810000000e-03  2.7443000000e-03 -1.8280000000e-03  3.6473000000e-03  1.3927000000e-03  3.6400000000e-05  2.3178000000e-03 -1.2780000000e-03 -3.9721000000e-03 -1.1419000000e-03 -2.2941000000e-03  2.9485000000e-03 -1.1751000000e-03  3.5745000000e-03  1.0250000000e-03
-
-JOB 0
-COORDS  4.8021000000e-02  2.1951900000e-01  1.3008680000e+00  2.4763500000e-01 -1.4797900000e-01  4.3986100000e-01  3.2810000000e-02  1.1661860000e+00  1.1600810000e+00  5.6060000000e-03 -2.7641800000e-01 -1.2184760000e+00 -7.5995700000e-01 -8.3052600000e-01 -1.3704900000e+00 -3.1406100000e-01  6.1608400000e-01 -1.3507080000e+00
-ENERGY -1.526541326354e+02
-FORCES  1.5930000000e-03 -3.7828000000e-03 -2.3795500000e-02 -1.2928000000e-03  2.4430000000e-03  7.5273000000e-03 -9.3410000000e-04 -2.3769000000e-03 -1.6839000000e-03 -5.7452000000e-03  4.2927000000e-03  1.3419600000e-02  4.1628000000e-03  3.5910000000e-03  1.3215000000e-03  2.2162000000e-03 -4.1670000000e-03  3.2110000000e-03
-
-JOB 1
-COORDS  5.1762300000e-01  1.2136320000e+00 -1.7495100000e-01  8.3492400000e-01  1.2561030000e+00 -1.0770310000e+00  2.9278000000e-01  2.9265400000e-01 -4.2748000000e-02 -4.6486700000e-01 -1.1283230000e+00  2.3353500000e-01 -1.3006710000e+00 -9.8179800000e-01  6.7647300000e-01 -6.4490300000e-01 -1.8293110000e+00 -3.9291300000e-01
-ENERGY -1.526573872159e+02
-FORCES -6.9991000000e-03 -2.0130200000e-02  1.1449000000e-03 -1.3358000000e-03 -1.9148000000e-03  2.0937000000e-03  2.2955000000e-03  7.6205000000e-03  3.6360000000e-04  2.1570000000e-03  1.2830600000e-02 -3.8425000000e-03  4.2988000000e-03 -2.1232000000e-03 -3.1442000000e-03 -4.1640000000e-04  3.7172000000e-03  3.3845000000e-03
-
-JOB 2
-COORDS  3.0670000000e-03 -8.6311500000e-01  9.1799600000e-01  5.6065800000e-01 -1.3830910000e+00  3.3924800000e-01 -5.9459000000e-01 -1.4993510000e+00  1.3107330000e+00 -6.0541000000e-02  9.5736800000e-01 -9.0814300000e-01  2.5011800000e-01  2.2068600000e-01 -3.8181400000e-01  6.8998300000e-01  1.1974310000e+00 -1.4515720000e+00
-ENERGY -1.526499072362e+02
-FORCES -5.0956000000e-03  4.4379000000e-03 -7.5331000000e-03 -3.5507000000e-03  1.0327200000e-02 -1.2796000000e-03  4.2827000000e-03  2.1222000000e-03 -1.4609000000e-03 -1.6780000000e-03 -8.0856000000e-03  1.2048700000e-02  7.6493000000e-03 -4.7474000000e-03 -5.6626000000e-03 -1.6079000000e-03 -4.0544000000e-03  3.8876000000e-03
-
-JOB 3
-COORDS  6.2389800000e-01  1.2100360000e+00 -3.6023000000e-02  3.8089500000e-01  2.9468900000e-01 -1.7502600000e-01 -2.0128100000e-01  1.6485720000e+00  1.7133400000e-01 -5.6246300000e-01 -1.1360010000e+00  8.9693000000e-02 -3.1329000000e-02 -1.9232550000e+00 -3.0140000000e-02 -1.1028970000e+00 -1.0887790000e+00 -6.9893400000e-01
-ENERGY -1.526563476706e+02
-FORCES -1.1131600000e-02 -1.7402600000e-02  4.0854000000e-03  4.0990000000e-03  5.6517000000e-03 -5.2780000000e-03  1.6797000000e-03 -6.5560000000e-04 -1.5757000000e-03  2.4550000000e-03  4.3331000000e-03 -1.1381000000e-03 -2.2771000000e-03  5.9513000000e-03 -5.0640000000e-04  5.1750000000e-03  2.1221000000e-03  4.4127000000e-03
-
-JOB 4
-COORDS -7.6759100000e-01 -3.5852000000e-02 -1.0038660000e+00 -1.5413900000e+00 -5.9880000000e-01 -9.8028900000e-01 -9.5607800000e-01  6.0247900000e-01 -1.6917900000e+00  7.9726200000e-01  5.8674000000e-02  1.0946550000e+00  1.6759100000e+00 -2.9656100000e-01  9.6042200000e-01  3.7006600000e-01 -2.9342000000e-02  2.4260500000e-01
-ENERGY -1.526594138767e+02
-FORCES  3.7745000000e-03  1.3883000000e-03  8.0271000000e-03  3.2092000000e-03  3.6795000000e-03 -1.8565000000e-03 -6.9450000000e-04 -4.1868000000e-03  2.7118000000e-03 -8.7083000000e-03 -6.1790000000e-04 -1.3451200000e-02 -3.3051000000e-03  8.8190000000e-04 -1.6453000000e-03  5.7242000000e-03 -1.1451000000e-03  6.2140000000e-03
-
-JOB 5
-COORDS  9.9751300000e-01  2.0500000000e-02  7.9944000000e-01  1.3629090000e+00 -4.1115200000e-01  1.5717060000e+00  1.7065290000e+00  2.8030000000e-03  1.5662200000e-01 -1.0695010000e+00  5.8722000000e-02 -8.4197100000e-01 -3.2707400000e-01 -2.1369900000e-01 -3.0269400000e-01 -1.6759150000e+00 -6.8104500000e-01 -8.0678600000e-01
-ENERGY -1.526578191666e+02
-FORCES -3.1821000000e-03 -4.2680000000e-04 -2.2002000000e-03 -7.6110000000e-04  2.4586000000e-03 -4.4249000000e-03 -5.9885000000e-03 -1.5907000000e-03  3.0856000000e-03  9.8135000000e-03 -1.8446000000e-03  1.1507100000e-02 -2.7363000000e-03 -2.8460000000e-04 -9.2698000000e-03  2.8544000000e-03  1.6880000000e-03  1.3022000000e-03
-
-JOB 6
-COORDS  6.7614000000e-02 -1.4016840000e+00  1.1941700000e-01 -1.4520200000e-01 -5.5863900000e-01  5.1968500000e-01  1.0158800000e-01 -1.2197040000e+00 -8.1971100000e-01 -7.6486000000e-02  1.3116590000e+00 -3.2265000000e-02 -5.7768600000e-01  1.4900240000e+00 -8.2801400000e-01  7.9841500000e-01  1.6525370000e+00 -2.1823400000e-01
-ENERGY -1.526569869086e+02
-FORCES -8.3320000000e-04  1.6688200000e-02 -3.0052000000e-03 -4.6090000000e-04 -6.5724000000e-03  2.6913000000e-03  1.7700000000e-05 -1.8365000000e-03  5.0660000000e-04  2.5484000000e-03 -4.4730000000e-03 -3.1458000000e-03  3.4393000000e-03 -2.0986000000e-03  3.1334000000e-03 -4.7113000000e-03 -1.7077000000e-03 -1.8020000000e-04
-
-JOB 7
-COORDS -6.5408200000e-01  1.1054750000e+00  3.9881000000e-02 -2.5687300000e-01  1.9716070000e+00 -5.1076000000e-02 -1.5510030000e+00  1.2185450000e+00 -2.7472900000e-01  7.1861100000e-01 -1.2081480000e+00  9.3880000000e-03  1.7824700000e-01 -1.3108440000e+00 -7.7399700000e-01  5.7043100000e-01 -3.0393900000e-01  2.8630000000e-01
-ENERGY -1.526569423700e+02
-FORCES -1.7480000000e-04 -4.7183000000e-03 -1.3957000000e-03 -1.5409000000e-03 -5.2516000000e-03  4.8130000000e-04  4.6962000000e-03  6.6340000000e-04  5.1510000000e-04 -1.0481900000e-02  1.3379000000e-02 -2.5339000000e-03  1.2769000000e-03 -2.2717000000e-03  9.3220000000e-04  6.2246000000e-03 -1.8008000000e-03  2.0010000000e-03
-
-JOB 8
-COORDS  3.2244700000e-01  7.2553300000e-01  1.1275020000e+00 -6.1376700000e-01  6.5380000000e-01  1.3134850000e+00  6.7892200000e-01 -1.3301200000e-01  1.3556650000e+00 -2.3370900000e-01 -6.7351000000e-01 -1.1943530000e+00 -1.1117770000e+00 -1.0500020000e+00 -1.2533610000e+00 -2.6314600000e-01 -1.1664400000e-01 -4.1636500000e-01
-ENERGY -1.526552268523e+02
-FORCES  3.5400000000e-04 -4.9672000000e-03  2.2140000000e-03  4.9212000000e-03 -2.1515000000e-03 -7.5106000000e-03 -3.9515000000e-03  4.8552000000e-03 -3.5387000000e-03  1.4829000000e-03  7.9660000000e-03  8.1361000000e-03  3.1096000000e-03  2.6241000000e-03  2.9855000000e-03 -5.9161000000e-03 -8.3267000000e-03 -2.2863000000e-03
-
-JOB 9
-COORDS -2.8312200000e-01 -1.2149790000e+00  6.5558000000e-01 -9.6462900000e-01 -1.6043960000e+00  1.0773500000e-01 -2.2541400000e-01 -3.0711600000e-01  3.5777600000e-01  2.5860100000e-01  1.1467300000e+00 -5.8781800000e-01  7.9929400000e-01  1.6857130000e+00 -1.0428000000e-02  7.0219300000e-01  1.1833320000e+00 -1.4352370000e+00
-ENERGY -1.526596147052e+02
-FORCES  6.3760000000e-04  1.2011400000e-02 -8.9923000000e-03  2.2062000000e-03  1.1758000000e-03  8.6510000000e-04 -1.7589000000e-03 -5.5820000000e-03  7.2908000000e-03  3.3594000000e-03 -5.4939000000e-03 -3.6880000000e-04 -2.7319000000e-03 -3.8092000000e-03 -2.9117000000e-03 -1.7124000000e-03  1.6979000000e-03  4.1169000000e-03
-
-JOB 10
-COORDS  3.7342800000e-01 -5.7654900000e-01  1.1411750000e+00 -3.9662000000e-01 -1.1262390000e+00  1.2864320000e+00  1.0602550000e+00 -9.8068900000e-01  1.6714310000e+00 -4.1215300000e-01  6.7883900000e-01 -1.1940960000e+00  1.8222800000e-01  1.7850600000e-01 -1.7532110000e+00 -2.4336500000e-01  3.5126700000e-01 -3.1067100000e-01
-ENERGY -1.526590862701e+02
-FORCES  1.1114000000e-03 -1.0630000000e-04 -1.4951000000e-03  4.3067000000e-03  3.7486000000e-03 -1.9708000000e-03 -4.3683000000e-03  1.8550000000e-04 -1.9187000000e-03  7.8304000000e-03 -6.3614000000e-03  8.8750000000e-03 -1.8736000000e-03  1.4946000000e-03  5.5990000000e-04 -7.0067000000e-03  1.0390000000e-03 -4.0502000000e-03
-
-JOB 11
-COORDS -3.3189100000e-01 -1.2932100000e+00  7.4842000000e-02 -1.2212260000e+00 -1.6291090000e+00 -3.6901000000e-02  9.4821000000e-02 -1.9298630000e+00  6.4827100000e-01  3.2886500000e-01  1.3950490000e+00 -1.2347100000e-01  1.1557660000e+00  1.3735530000e+00  3.5819700000e-01  3.4370000000e-02  4.8435700000e-01 -1.3546000000e-01
-ENERGY -1.526603002279e+02
-FORCES  1.0630000000e-04  1.6347000000e-03  2.0427000000e-03  4.7883000000e-03  9.0300000000e-04  1.1339000000e-03 -2.9265000000e-03  2.2086000000e-03 -2.7978000000e-03 -6.8250000000e-04 -1.3337400000e-02  2.3432000000e-03 -2.0259000000e-03 -1.2390000000e-04 -1.0314000000e-03  7.4030000000e-04  8.7150000000e-03 -1.6906000000e-03
-
-JOB 12
-COORDS -1.2110890000e+00  4.7209700000e-01  3.3793100000e-01 -1.6166900000e+00  6.3000000000e-01  1.1904490000e+00 -1.8951030000e+00  4.5127000000e-02 -1.7787300000e-01  1.3260790000e+00 -4.6940700000e-01 -3.9392000000e-01  1.0554790000e+00 -8.8509000000e-01  4.2474600000e-01  6.3484600000e-01  1.6593000000e-01 -5.8040000000e-01
-ENERGY -1.526582981755e+02
-FORCES -7.4940000000e-04 -1.5172000000e-03  8.6690000000e-04  1.4846000000e-03 -2.0407000000e-03 -3.9576000000e-03  3.7350000000e-03  2.1687000000e-03  2.6355000000e-03 -1.1961600000e-02  3.9777000000e-03  6.3854000000e-03  3.2935000000e-03 -1.2156000000e-03 -1.2677000000e-03  4.1978000000e-03 -1.3730000000e-03 -4.6625000000e-03
-
-JOB 13
-COORDS -4.0089000000e-01  1.0502440000e+00 -7.0831100000e-01  2.1058900000e-01  1.2586950000e+00 -1.4146200000e+00 -1.0147610000e+00  1.7846030000e+00 -6.9779800000e-01  3.5685300000e-01 -1.1369560000e+00  7.8648500000e-01  1.2846070000e+00 -1.3720600000e+00  8.0164800000e-01  2.9659900000e-01 -4.3976600000e-01  1.3339500000e-01
-ENERGY -1.526582613590e+02
-FORCES -2.2565000000e-03  6.9540000000e-04  2.6549000000e-03 -2.1606000000e-03 -2.3019000000e-03  4.6961000000e-03  3.6316000000e-03 -2.2335000000e-03 -2.1379000000e-03 -2.2875000000e-03  8.8117000000e-03 -5.0335000000e-03 -2.9328000000e-03  2.2276000000e-03 -1.4906000000e-03  6.0058000000e-03 -7.1992000000e-03  1.3109000000e-03
-
-JOB 14
-COORDS -3.8532400000e-01  7.2711400000e-01  1.1488760000e+00 -1.9051100000e-01  5.8507800000e-01  2.0752160000e+00  2.1386900000e-01  1.4214300000e-01  6.8518700000e-01  2.8167700000e-01 -6.7539600000e-01 -1.1375790000e+00  7.1253000000e-01 -1.4084500000e-01 -1.8045520000e+00  8.5031600000e-01 -1.4388840000e+00 -1.0377350000e+00
-ENERGY -1.526574635364e+02
-FORCES  2.7146000000e-03 -5.6003000000e-03 -6.9317000000e-03  2.8030000000e-04 -1.2117000000e-03 -4.4452000000e-03  4.7110000000e-04  3.6608000000e-03  9.3589000000e-03  7.2870000000e-04  1.2274000000e-03 -3.6498000000e-03 -1.6458000000e-03 -3.3347000000e-03  3.6400000000e-03 -2.5488000000e-03  5.2584000000e-03  2.0278000000e-03
-
-JOB 15
-COORDS  9.4770000000e-02  1.1328780000e+00 -9.0589200000e-01  2.5535100000e-01  1.8404540000e+00 -2.8156700000e-01  4.2021500000e-01  3.4701000000e-01 -4.6688200000e-01 -9.8518000000e-02 -1.1551390000e+00  8.9667800000e-01 -8.3170900000e-01 -5.4515800000e-01  8.1552500000e-01  1.9033500000e-01 -1.3043130000e+00 -3.6230000000e-03
-ENERGY -1.526522196355e+02
-FORCES  4.2486000000e-03 -1.6106000000e-03  8.3056000000e-03 -1.8588000000e-03 -2.7481000000e-03 -2.6807000000e-03 -4.8746000000e-03 -4.7630000000e-03 -4.4295000000e-03 -5.9031000000e-03  1.5379000000e-03 -5.2893000000e-03  6.1167000000e-03 -1.7506000000e-03  8.8160000000e-04  2.2712000000e-03  9.3345000000e-03  3.2123000000e-03
-
-JOB 16
-COORDS  1.1163390000e+00  4.7046000000e-01  7.6950200000e-01  2.0042260000e+00  1.1530600000e-01  7.2763000000e-01  6.4052100000e-01  9.1460000000e-03  7.8836000000e-02 -1.1115010000e+00 -3.8070700000e-01 -7.7415900000e-01 -1.6342500000e+00 -1.2815300000e-01 -1.3119000000e-02 -1.0938940000e+00 -1.3373440000e+00 -7.4644500000e-01
-ENERGY -1.526602773366e+02
-FORCES -4.8059000000e-03 -2.8569000000e-03 -7.2756000000e-03 -3.9979000000e-03 -9.0200000000e-05 -1.0948000000e-03  8.0716000000e-03  5.7440000000e-04  7.5535000000e-03 -4.7489000000e-03 -7.3080000000e-04  4.4505000000e-03  3.1303000000e-03 -2.2190000000e-03 -4.3679000000e-03  2.3507000000e-03  5.3225000000e-03  7.3430000000e-04
-
-JOB 17
-COORDS  8.3696300000e-01  9.2326200000e-01  7.1390600000e-01  6.1002500000e-01  1.2517920000e+00  1.5838480000e+00  7.1573000000e-02  4.1720800000e-01  4.4129300000e-01 -7.8009700000e-01 -9.4686800000e-01 -6.8503900000e-01 -5.5146000000e-02 -8.0422000000e-01 -1.2935850000e+00 -1.5420310000e+00 -5.7290300000e-01 -1.1275760000e+00
-ENERGY -1.526609896237e+02
-FORCES -7.2708000000e-03 -6.4075000000e-03 -8.1290000000e-04 -6.0450000000e-04 -1.5852000000e-03 -3.1151000000e-03  6.9308000000e-03  8.0743000000e-03  2.2079000000e-03  1.3930000000e-03 -6.1800000000e-05 -5.8440000000e-03 -4.8083000000e-03  7.7050000000e-04  4.5657000000e-03  4.3598000000e-03 -7.9050000000e-04  2.9984000000e-03
-
-JOB 18
-COORDS  1.2102340000e+00 -6.2428300000e-01 -1.9244100000e-01  1.7909750000e+00 -3.9140600000e-01 -9.1683000000e-01  9.8279800000e-01 -1.5402560000e+00 -3.5212700000e-01 -1.2720700000e+00  7.2550600000e-01  2.6596500000e-01 -3.2219900000e-01  6.1098900000e-01  2.3658000000e-01 -1.6244400000e+00 -1.2008600000e-01 -1.1600000000e-02
-ENERGY -1.526591616847e+02
-FORCES -9.0920000000e-04 -2.6168000000e-03 -3.1036000000e-03 -3.2504000000e-03 -1.3854000000e-03  3.4555000000e-03  7.8060000000e-04  4.5264000000e-03  6.5800000000e-05  9.8406000000e-03 -7.9306000000e-03 -2.5722000000e-03 -6.0710000000e-03  5.5721000000e-03  1.3793000000e-03 -3.9060000000e-04  1.8343000000e-03  7.7520000000e-04
-
-JOB 19
-COORDS -2.8143400000e-01  4.6242000000e-01  1.3870920000e+00 -1.0600410000e+00  5.5226400000e-01  8.3760900000e-01  4.5197000000e-01  5.1145200000e-01  7.7394700000e-01  2.8607300000e-01 -4.8972400000e-01 -1.2450680000e+00  4.4479200000e-01  3.7782100000e-01 -1.6170980000e+00  1.5154800000e-01 -1.0558290000e+00 -2.0051070000e+00
-ENERGY -1.526547664618e+02
-FORCES  3.3150000000e-04 -5.5093000000e-03 -1.0815200000e-02  9.7120000000e-04  2.0830000000e-03  3.2912000000e-03 -3.9630000000e-04  4.5146000000e-03  2.5084000000e-03  2.3800000000e-05 -6.7020000000e-04 -3.2029000000e-03 -9.6700000000e-04 -3.6039000000e-03  4.8022000000e-03  3.6900000000e-05  3.1859000000e-03  3.4163000000e-03
-
-JOB 20
-COORDS  4.9484800000e-01  7.3848100000e-01 -1.1669750000e+00 -3.7230000000e-03  1.3023000000e-01 -6.2136700000e-01  1.1027430000e+00  1.8158400000e-01 -1.6533510000e+00 -4.8081100000e-01 -6.2361800000e-01  1.1344880000e+00 -5.5031000000e-02 -1.4279640000e+00  1.4310890000e+00 -1.3693890000e+00 -6.7874100000e-01  1.4860890000e+00
-ENERGY -1.526596896274e+02
-FORCES -2.4673000000e-03 -6.4798000000e-03  7.2678000000e-03  2.6200000000e-03  3.6160000000e-03 -8.8693000000e-03 -1.8938000000e-03  1.0728000000e-03  2.3177000000e-03 -3.2990000000e-04 -1.5560000000e-03  2.6130000000e-03 -2.6149000000e-03  3.6565000000e-03 -1.7173000000e-03  4.6861000000e-03 -3.0950000000e-04 -1.6119000000e-03
-
-JOB 21
-COORDS -1.2858820000e+00  5.3950400000e-01  1.8669600000e-01 -1.2890240000e+00  1.4917470000e+00  8.9455000000e-02 -1.8759530000e+00  2.2631500000e-01 -4.9884100000e-01  1.3690590000e+00 -5.4820200000e-01 -1.7773900000e-01  1.1808500000e+00 -1.3852210000e+00  2.4677000000e-01  5.7266100000e-01 -3.1840000000e-02 -5.3831000000e-02
-ENERGY -1.526612459920e+02
-FORCES -3.0980000000e-03  1.2654000000e-03 -3.3360000000e-03  1.0303000000e-03 -5.4581000000e-03 -2.9180000000e-04  2.8173000000e-03  2.0614000000e-03  3.6363000000e-03 -1.1353400000e-02  1.6341000000e-03  3.8064000000e-03  8.8640000000e-04  1.8520000000e-03 -1.7267000000e-03  9.7175000000e-03 -1.3548000000e-03 -2.0882000000e-03
-
-JOB 22
-COORDS -9.3070000000e-01  6.4603800000e-01  7.8901700000e-01 -6.5672400000e-01  1.5511900000e+00  9.3689300000e-01 -1.7737250000e+00  5.7428800000e-01  1.2366700000e+00  9.5109700000e-01 -6.7871500000e-01 -8.8989900000e-01  6.8185300000e-01 -1.9106100000e-01 -1.1148200000e-01  1.4594870000e+00 -1.4143120000e+00 -5.4833300000e-01
-ENERGY -1.526579848194e+02
-FORCES -3.9458000000e-03  3.4240000000e-04  2.4840000000e-04  2.2300000000e-05 -5.4444000000e-03 -8.2880000000e-04  3.5509000000e-03  1.7767000000e-03 -1.6576000000e-03 -5.0549000000e-03  1.3585000000e-03  7.0218000000e-03  7.6962000000e-03 -5.4610000000e-04 -4.1553000000e-03 -2.2686000000e-03  2.5129000000e-03 -6.2850000000e-04
-
-JOB 23
-COORDS  1.3416220000e+00  7.5055000000e-02  5.1516200000e-01  1.0456530000e+00  4.7294700000e-01  1.3338910000e+00  1.4649720000e+00 -8.4984100000e-01  7.2866500000e-01 -1.3911490000e+00 -2.4839000000e-02 -5.5360200000e-01 -5.4277400000e-01 -5.9030000000e-02 -1.1164800000e-01 -1.2189560000e+00 -3.6791800000e-01 -1.4304590000e+00
-ENERGY -1.526597657463e+02
-FORCES  2.9537000000e-03 -8.0600000000e-04  4.9058000000e-03 -7.0210000000e-04 -3.3257000000e-03 -5.8307000000e-03 -2.8621000000e-03  5.1060000000e-03 -2.0328000000e-03  1.1483600000e-02  2.4620000000e-04 -5.4390000000e-04 -1.0004300000e-02 -1.6555000000e-03  7.4910000000e-04 -8.6890000000e-04  4.3500000000e-04  2.7524000000e-03
-
-JOB 24
-COORDS  9.0616500000e-01 -1.0354580000e+00 -2.2921300000e-01  1.2654870000e+00 -1.1996360000e+00 -1.1010870000e+00  1.6006150000e+00 -1.3060470000e+00  3.7141400000e-01 -9.9164600000e-01  1.1112530000e+00  2.0351600000e-01 -1.4501140000e+00  3.2914300000e-01  5.1067100000e-01 -1.1292000000e-01  1.0359680000e+00  5.7554400000e-01
-ENERGY -1.526557681787e+02
-FORCES  2.2613000000e-03 -9.2980000000e-04 -4.2422000000e-03 -9.4230000000e-04 -4.6000000000e-06  4.4123000000e-03 -3.9683000000e-03  2.9609000000e-03 -2.0227000000e-03  6.6372000000e-03 -1.0163100000e-02  1.5980000000e-04 -9.2690000000e-04  3.8735000000e-03 -8.0000000000e-06 -3.0610000000e-03  4.2630000000e-03  1.7007000000e-03
-
-JOB 25
-COORDS -1.2967100000e-01  1.2387300000e+00 -6.9335500000e-01  3.8957400000e-01  1.0785590000e+00 -1.4813660000e+00 -1.0210150000e+00  1.3712620000e+00 -1.0161150000e+00  1.1093800000e-01 -1.2460750000e+00  8.0324100000e-01 -3.2084000000e-02 -6.7904500000e-01  4.5445000000e-02  9.5782900000e-01 -1.6599770000e+00  6.3683400000e-01
-ENERGY -1.526576510708e+02
-FORCES -1.6026000000e-03  3.7918000000e-03 -3.0379000000e-03 -2.8777000000e-03 -2.0894000000e-03  5.2465000000e-03  5.0293000000e-03 -2.0240000000e-03  1.6072000000e-03  1.6568000000e-03  8.0923000000e-03 -5.0497000000e-03  5.4850000000e-04 -9.8256000000e-03  1.5703000000e-03 -2.7542000000e-03  2.0549000000e-03 -3.3630000000e-04
-
-JOB 26
-COORDS -2.7128600000e-01  1.3053300000e+00  5.1501300000e-01 -1.4164300000e-01  1.4862900000e+00  1.4459690000e+00  5.3144300000e-01  1.6157990000e+00  9.6125000000e-02  1.9381700000e-01 -1.3449230000e+00 -6.1139500000e-01  1.0528770000e+00 -1.5578180000e+00 -2.4680800000e-01 -2.8328800000e-01 -9.4548000000e-01  1.1596300000e-01
-ENERGY -1.526567515105e+02
-FORCES  5.1310000000e-03  2.5962000000e-03 -2.1820000000e-03 -1.9420000000e-04 -3.0571000000e-03 -4.4091000000e-03 -3.3231000000e-03 -3.3710000000e-04  3.4917000000e-03 -7.2890000000e-04  6.6274000000e-03  6.4369000000e-03 -2.5656000000e-03  1.4541000000e-03 -1.4577000000e-03  1.6809000000e-03 -7.2836000000e-03 -1.8797000000e-03
-
-JOB 27
-COORDS -1.0577260000e+00  8.6579100000e-01  4.7255400000e-01 -1.1340980000e+00  1.0118640000e+00  1.4154550000e+00 -1.5775850000e+00  7.8939000000e-02  3.0871900000e-01  1.0788870000e+00 -8.6877000000e-01 -4.5083900000e-01  1.7813180000e+00 -9.5461200000e-01 -1.0953960000e+00  5.1999300000e-01 -1.7265600000e-01 -7.9623100000e-01
-ENERGY -1.526576471998e+02
-FORCES  2.5550000000e-04 -3.9876000000e-03  5.9952000000e-03 -1.2219000000e-03 -2.7060000000e-04 -3.6953000000e-03  2.9564000000e-03  4.0318000000e-03 -8.9730000000e-04 -1.7549000000e-03  5.6780000000e-03 -1.0736000000e-03 -3.0941000000e-03  1.3855000000e-03  2.5944000000e-03  2.8590000000e-03 -6.8372000000e-03 -2.9234000000e-03
-
-JOB 28
-COORDS  4.3037500000e-01  1.2301040000e+00  6.5694600000e-01 -3.0550000000e-01  9.6096300000e-01  1.2067490000e+00  1.1284780000e+00  1.4412600000e+00  1.2768630000e+00 -3.7238400000e-01 -1.2655960000e+00 -7.0480500000e-01 -1.2567410000e+00 -1.5479080000e+00 -9.3813900000e-01 -3.9951900000e-01 -3.1116000000e-01 -7.7224700000e-01
-ENERGY -1.526573846653e+02
-FORCES  2.1107000000e-03 -2.7481000000e-03  5.4994000000e-03  2.2775000000e-03  1.9189000000e-03 -3.9790000000e-03 -3.4764000000e-03 -3.6180000000e-04 -1.6281000000e-03  4.1330000000e-04  5.3569000000e-03 -1.1925000000e-03  3.2658000000e-03  2.1789000000e-03  2.0801000000e-03 -4.5909000000e-03 -6.3448000000e-03 -7.7990000000e-04
-
-JOB 29
-COORDS  1.7813700000e-01  1.4926150000e+00  3.5919700000e-01  5.9280000000e-03  5.5897300000e-01  4.8120800000e-01  2.8796300000e-01  1.5948570000e+00 -5.8616900000e-01 -1.8233000000e-01 -1.4070760000e+00 -2.5938000000e-01  5.4250200000e-01 -1.9945470000e+00 -4.7322100000e-01 -7.6788300000e-01 -1.4636630000e+00 -1.0144670000e+00
-ENERGY -1.526602295954e+02
-FORCES -3.4710000000e-04 -9.5175000000e-03 -4.2801000000e-03  2.0390000000e-04  8.3688000000e-03  2.4121000000e-03 -4.7540000000e-04  8.5390000000e-04  2.3090000000e-03  9.5490000000e-04 -2.8978000000e-03 -3.7034000000e-03 -3.8961000000e-03  2.5774000000e-03  1.1420000000e-04  3.5599000000e-03  6.1510000000e-04  3.1482000000e-03
-
-JOB 30
-COORDS  1.0884040000e+00  1.1104580000e+00 -2.0380900000e-01  7.2939700000e-01  2.4529200000e-01 -4.0086800000e-01  4.4136000000e-01  1.5124480000e+00  3.7582000000e-01 -9.6543400000e-01 -1.0776920000e+00  1.6279300000e-01 -1.2724700000e+00 -1.3820030000e+00  1.0168170000e+00 -1.7639050000e+00 -8.3993800000e-01 -3.0853400000e-01
-ENERGY -1.526595691530e+02
-FORCES -7.6484000000e-03 -6.3477000000e-03  3.1380000000e-03  4.9489000000e-03  5.2142000000e-03 -2.5890000000e-03  2.4395000000e-03  9.0110000000e-04 -1.5189000000e-03 -4.1318000000e-03 -1.0466000000e-03  2.3700000000e-03  4.2100000000e-04  1.8273000000e-03 -4.1030000000e-03  3.9708000000e-03 -5.4830000000e-04  2.7028000000e-03
-
-JOB 31
-COORDS -7.3711000000e-02  1.3459000000e-02 -1.4337820000e+00 -8.4053300000e-01 -2.3786500000e-01 -1.9486140000e+00  6.5994900000e-01 -6.0848000000e-02 -2.0440710000e+00  1.3591300000e-01  1.9786000000e-02  1.5208980000e+00 -7.3178300000e-01  6.3187000000e-02  1.9227090000e+00 -2.5945000000e-02 -3.0345400000e-01  6.3458500000e-01
-ENERGY -1.526598035269e+02
-FORCES  1.4135000000e-03  2.8520000000e-04 -4.7564000000e-03  3.6502000000e-03  1.0084000000e-03  2.7762000000e-03 -4.2288000000e-03  1.8330000000e-04  1.9660000000e-03 -3.2368000000e-03  8.3700000000e-05 -7.7945000000e-03  2.4902000000e-03 -3.1850000000e-04 -1.7863000000e-03 -8.8200000000e-05 -1.2421000000e-03  9.5951000000e-03
-
-JOB 32
-COORDS -1.4611300000e-01 -1.4625820000e+00 -2.5872000000e-01  5.2839500000e-01 -2.0427360000e+00  9.4399000000e-02  1.7735400000e-01 -1.2183550000e+00 -1.1258730000e+00  5.8666000000e-02  1.5298120000e+00  2.9588700000e-01  9.9757700000e-01  1.5166760000e+00  1.1012700000e-01 -1.9246400000e-01  6.0671700000e-01  3.2846700000e-01
-ENERGY -1.526597819354e+02
-FORCES  3.6577000000e-03 -4.0634000000e-03 -2.9925000000e-03 -2.7544000000e-03  3.3245000000e-03 -2.2437000000e-03 -8.0350000000e-04 -1.0000000000e-06  5.6723000000e-03  1.6422000000e-03 -8.6194000000e-03  2.3890000000e-04 -2.8734000000e-03  4.5700000000e-05 -1.3630000000e-04  1.1314000000e-03  9.3136000000e-03 -5.3880000000e-04
-
-JOB 33
-COORDS -6.0883300000e-01  1.3818200000e-01  1.3250620000e+00 -9.1185700000e-01  2.4977800000e-01  2.2261470000e+00 -1.3378550000e+00  4.4644100000e-01  7.8679200000e-01  6.2978000000e-01 -1.2696300000e-01 -1.3970240000e+00  6.2348200000e-01  5.2460000000e-02 -4.5681100000e-01  1.2284470000e+00 -8.6724700000e-01 -1.4960660000e+00
-ENERGY -1.526604480053e+02
-FORCES -4.6709000000e-03  1.1971000000e-03  2.1150000000e-03 -3.1500000000e-05 -5.8670000000e-04 -4.1396000000e-03  4.3629000000e-03 -8.4350000000e-04  3.4056000000e-03  1.6688000000e-03 -2.5798000000e-03  6.7527000000e-03  4.0950000000e-04  2.5400000000e-04 -8.3716000000e-03 -1.7388000000e-03  2.5589000000e-03  2.3780000000e-04
-
-JOB 34
-COORDS  2.4602200000e-01  3.9444200000e-01  1.5204850000e+00  1.0171800000e+00  3.6888300000e-01  9.5401000000e-01 -1.1728700000e-01 -4.8976400000e-01  1.4713160000e+00 -3.0767900000e-01 -3.3493100000e-01 -1.4290030000e+00  4.2376400000e-01 -9.4624900000e-01 -1.5156790000e+00 -3.5178100000e-01  1.0820700000e-01 -2.2763010000e+00
-ENERGY -1.526531347607e+02
-FORCES -1.0499000000e-03 -3.7018000000e-03 -8.0508000000e-03 -5.1300000000e-04 -3.3130000000e-04  3.6469000000e-03  2.4110000000e-03  2.3389000000e-03  2.2692000000e-03  1.3371000000e-03  5.4250000000e-04 -4.2533000000e-03 -2.6857000000e-03  3.1705000000e-03  2.5278000000e-03  5.0050000000e-04 -2.0189000000e-03  3.8602000000e-03
-
-JOB 35
-COORDS  8.6827200000e-01  1.3212030000e+00  2.2007000000e-02  2.9058000000e-01  6.1772700000e-01  3.1802600000e-01  1.4109930000e+00  1.5228200000e+00  7.8426500000e-01 -8.5576100000e-01 -1.2746400000e+00 -1.3730500000e-01 -4.0186600000e-01 -1.9570360000e+00  3.5721100000e-01 -1.5294330000e+00 -9.5223100000e-01  4.6140200000e-01
-ENERGY -1.526572025619e+02
-FORCES -2.0052000000e-03 -5.3607000000e-03  1.7022000000e-03  3.4042000000e-03  7.9258000000e-03  3.1831000000e-03 -2.4365000000e-03 -1.6972000000e-03 -2.5879000000e-03 -2.8087000000e-03 -5.7326000000e-03  1.7923000000e-03 -2.0396000000e-03  4.4245000000e-03 -1.7492000000e-03  5.8857000000e-03  4.4020000000e-04 -2.3405000000e-03
-
-JOB 36
-COORDS -1.6995400000e-01  1.5199950000e+00  1.3287000000e-01 -4.1658700000e-01  2.3774600000e+00  4.7950700000e-01  5.9550300000e-01  1.6937290000e+00 -4.1496500000e-01  1.8047500000e-01 -1.6056970000e+00 -1.6427100000e-01  2.0017000000e-02 -1.8903320000e+00  7.3543400000e-01 -4.0254000000e-01 -8.5644700000e-01 -2.8653600000e-01
-ENERGY -1.526589738341e+02
-FORCES  3.1155000000e-03  4.8510000000e-03 -4.5500000000e-04  1.7578000000e-03 -3.4908000000e-03 -1.3960000000e-03 -4.2473000000e-03  4.5800000000e-05  2.2228000000e-03 -3.5328000000e-03  5.2377000000e-03  4.4234000000e-03  6.0200000000e-04  1.4600000000e-05 -3.1444000000e-03  2.3047000000e-03 -6.6583000000e-03 -1.6508000000e-03
-
-JOB 37
-COORDS -1.2772060000e+00 -3.3088400000e-01 -8.8565600000e-01 -1.7706520000e+00 -9.5114700000e-01 -1.4223280000e+00 -3.7392100000e-01 -6.4515500000e-01 -9.2492600000e-01  1.2994040000e+00  3.7491000000e-01  8.8161100000e-01  8.0568900000e-01  1.1823010000e+00  1.0251250000e+00  8.9548000000e-01 -2.6147500000e-01  1.4716030000e+00
-ENERGY -1.526583701182e+02
-FORCES  3.4134000000e-03 -2.5829000000e-03 -2.4784000000e-03  2.5460000000e-03  2.1675000000e-03  2.4132000000e-03 -6.7064000000e-03 -8.4100000000e-04 -1.0732000000e-03 -4.8625000000e-03  2.5992000000e-03  4.3229000000e-03  3.2926000000e-03 -3.2140000000e-03  4.3100000000e-05  2.3168000000e-03  1.8712000000e-03 -3.2276000000e-03
-
-JOB 38
-COORDS -5.4034100000e-01 -4.2957900000e-01  1.4310900000e+00 -1.3525030000e+00  5.6035000000e-02  1.5753270000e+00  1.2147000000e-01  5.8793000000e-02  1.9207130000e+00  6.0151200000e-01  3.9108400000e-01 -1.4250300000e+00 -2.8288200000e-01  7.5689000000e-02 -1.2390060000e+00  6.6546800000e-01  3.7684500000e-01 -2.3799840000e+00
-ENERGY -1.526561521784e+02
-FORCES  2.1008000000e-03  4.4514000000e-03  3.8101000000e-03  3.2410000000e-03 -2.1241000000e-03 -2.1080000000e-03 -3.7232000000e-03 -2.3589000000e-03 -6.5300000000e-04 -3.9515000000e-03 -2.8274000000e-03 -7.0490000000e-04  2.8625000000e-03  3.0067000000e-03 -4.4772000000e-03 -5.2950000000e-04 -1.4770000000e-04  4.1330000000e-03
-
-JOB 39
-COORDS -9.8859900000e-01 -1.4079240000e+00  2.2915600000e-01 -5.0647500000e-01 -1.3935270000e+00  1.0559460000e+00 -5.1195100000e-01 -8.0106200000e-01 -3.3719900000e-01  8.7151100000e-01  1.3319570000e+00 -2.4963300000e-01  1.5147350000e+00  1.4525620000e+00 -9.4816600000e-01  1.2192650000e+00  1.8355240000e+00  4.8638300000e-01
-ENERGY -1.526584899170e+02
-FORCES  5.3956000000e-03  5.7775000000e-03  8.2720000000e-04 -2.1989000000e-03 -1.1905000000e-03 -1.9445000000e-03 -3.5785000000e-03 -6.1002000000e-03  4.4680000000e-04  4.3568000000e-03  4.6205000000e-03  8.7750000000e-04 -2.9994000000e-03 -8.9410000000e-04  3.2234000000e-03 -9.7570000000e-04 -2.2133000000e-03 -3.4304000000e-03
-
-JOB 40
-COORDS  1.0531590000e+00 -1.1907050000e+00  3.8320600000e-01  1.9590420000e+00 -1.2454740000e+00  6.8752400000e-01  5.8555200000e-01 -1.8447790000e+00  9.0259300000e-01 -1.1123940000e+00  1.2424380000e+00 -4.9027700000e-01 -1.8050600000e-01  1.0720380000e+00 -3.5324000000e-01 -1.4833740000e+00  1.2709610000e+00  3.9164800000e-01
-ENERGY -1.526572376761e+02
-FORCES  1.3104000000e-03 -5.2663000000e-03  3.0881000000e-03 -4.2099000000e-03  7.3420000000e-04 -1.2847000000e-03  2.6116000000e-03  2.8780000000e-03 -1.6942000000e-03  4.3665000000e-03 -3.1982000000e-03  4.3986000000e-03 -4.6519000000e-03  4.6790000000e-03 -1.4162000000e-03  5.7320000000e-04  1.7340000000e-04 -3.0915000000e-03
-
-JOB 41
-COORDS  1.4708740000e+00  8.2726900000e-01 -3.7204900000e-01  9.6254700000e-01  7.6984400000e-01 -1.1810840000e+00  1.9245950000e+00 -1.3529000000e-02 -3.1351000000e-01 -1.4704240000e+00 -7.4419000000e-01  4.6697100000e-01 -2.1476940000e+00 -1.3108910000e+00  9.7665000000e-02 -7.2624200000e-01 -8.4099800000e-01 -1.2721100000e-01
-ENERGY -1.526529915363e+02
-FORCES  1.4420000000e-03 -1.2694000000e-03 -2.7696000000e-03  1.5262000000e-03 -1.6255000000e-03  4.2828000000e-03 -3.5605000000e-03  3.2048000000e-03 -5.2030000000e-04  1.0718000000e-03 -1.8434000000e-03 -2.9443000000e-03  3.2440000000e-03  2.6988000000e-03  1.3314000000e-03 -3.7237000000e-03 -1.1652000000e-03  6.2000000000e-04
-
-JOB 42
-COORDS  2.9393100000e-01  1.5790840000e+00 -4.7246900000e-01  2.7851500000e-01  1.9894770000e+00 -1.3370920000e+00  1.2097360000e+00  1.6303480000e+00 -1.9878200000e-01 -3.5704200000e-01 -1.6617490000e+00  5.5053200000e-01 -9.8503800000e-01 -9.9603800000e-01  2.7002700000e-01  4.6163000000e-01 -1.4160810000e+00  1.1965600000e-01
-ENERGY -1.526571990663e+02
-FORCES  4.0489000000e-03  4.1128000000e-03 -2.0293000000e-03  1.2700000000e-04 -2.1355000000e-03  3.8537000000e-03 -3.9478000000e-03 -1.0082000000e-03 -1.7778000000e-03  6.6940000000e-04  6.7855000000e-03 -3.6319000000e-03  6.5540000000e-04 -5.0125000000e-03  1.5324000000e-03 -1.5529000000e-03 -2.7420000000e-03  2.0530000000e-03
-
-JOB 43
-COORDS  1.5126560000e+00  2.1278000000e-01 -7.8420600000e-01  8.3866400000e-01  8.6915900000e-01 -9.6065500000e-01  1.7005370000e+00 -1.7414500000e-01 -1.6393210000e+00 -1.4963920000e+00 -2.7928700000e-01  8.9630400000e-01 -2.1426770000e+00  1.7435100000e-01  3.5523100000e-01 -6.5599900000e-01  9.3062000000e-02  6.2923100000e-01
-ENERGY -1.526545336736e+02
-FORCES  1.6030000000e-04 -5.4000000000e-05 -6.5999000000e-03  7.7270000000e-04 -4.1140000000e-03  3.4966000000e-03 -4.6250000000e-04  2.3943000000e-03  3.6474000000e-03  2.4430000000e-03  1.8467000000e-03 -2.7286000000e-03  3.2443000000e-03 -1.5296000000e-03  1.6438000000e-03 -6.1579000000e-03  1.4565000000e-03  5.4060000000e-04
-
-JOB 44
-COORDS -3.3767800000e-01 -1.6474240000e+00  3.1049100000e-01 -9.8895200000e-01 -2.3422290000e+00  2.1395000000e-01 -6.7600100000e-01 -1.0979110000e+00  1.0174600000e+00  4.3432500000e-01  1.6983760000e+00 -3.6634600000e-01 -4.6484300000e-01  1.5297400000e+00 -6.4793300000e-01  5.7804900000e-01  1.0874370000e+00  3.5637700000e-01
-ENERGY -1.526539359722e+02
-FORCES -4.3760000000e-03 -2.8908000000e-03  2.3852000000e-03  2.7906000000e-03  3.2287000000e-03  4.0850000000e-04  2.5461000000e-03 -2.7960000000e-04 -3.9500000000e-03 -2.3875000000e-03 -5.7149000000e-03  1.9300000000e-04  2.9707000000e-03  1.9884000000e-03  1.7957000000e-03 -1.5438000000e-03  3.6682000000e-03 -8.3250000000e-04
-
-JOB 45
-COORDS  1.3726640000e+00 -3.6052400000e-01 -1.0698020000e+00  7.2799700000e-01 -1.0537880000e+00 -9.2830600000e-01  1.1408760000e+00  1.2809000000e-02 -1.9201710000e+00 -1.3278910000e+00  3.6441700000e-01  1.0415440000e+00 -2.0020670000e+00  9.0979000000e-02  1.6635970000e+00 -6.7223600000e-01  8.0945000000e-01  1.5784750000e+00
-ENERGY -1.526561199898e+02
-FORCES -5.7282000000e-03 -9.9350000000e-04 -2.0706000000e-03  4.3136000000e-03  1.5198000000e-03 -1.7412000000e-03  1.4359000000e-03 -1.5087000000e-03  2.9242000000e-03  9.6140000000e-04  1.9577000000e-03  5.0203000000e-03  2.9544000000e-03  8.3190000000e-04 -2.8058000000e-03 -3.9371000000e-03 -1.8072000000e-03 -1.3269000000e-03
-
-JOB 46
-COORDS -8.3481600000e-01 -1.1199570000e+00 -1.1048950000e+00 -1.9219500000e-01 -1.5180560000e+00 -5.1770800000e-01 -1.3687540000e+00 -1.8537780000e+00 -1.4092770000e+00  7.8767900000e-01  1.1508560000e+00  1.1326080000e+00  1.5380770000e+00  7.5585500000e-01  6.8863800000e-01  7.9875600000e-01  2.0665580000e+00  8.5404200000e-01
-ENERGY -1.526536867466e+02
-FORCES  1.2790000000e-04 -4.1858000000e-03  2.6097000000e-03 -1.6553000000e-03  8.1080000000e-04 -3.6072000000e-03  2.1132000000e-03  3.2121000000e-03  1.2630000000e-03  1.9613000000e-03  3.0770000000e-03 -4.2356000000e-03 -3.0244000000e-03  5.0330000000e-04  2.2498000000e-03  4.7730000000e-04 -3.4174000000e-03  1.7204000000e-03
-
-JOB 47
-COORDS -8.0351100000e-01 -1.2497640000e+00 -1.1064150000e+00 -1.5158670000e+00 -1.5496520000e+00 -5.4174900000e-01 -5.6617600000e-01 -3.9059000000e-01 -7.5752400000e-01  8.0755100000e-01  1.1685380000e+00  1.0381830000e+00  9.6036600000e-01  1.4735630000e+00  1.9325200000e+00  1.0912690000e+00  1.8961280000e+00  4.8469500000e-01
-ENERGY -1.526573057659e+02
-FORCES -5.4590000000e-04  3.1398000000e-03  5.6609000000e-03  2.1903000000e-03  6.5170000000e-04 -2.4424000000e-03 -2.5401000000e-03 -3.9905000000e-03 -4.6838000000e-03  3.2288000000e-03  4.4940000000e-03  3.2887000000e-03 -3.9980000000e-04 -8.2740000000e-04 -3.9193000000e-03 -1.9334000000e-03 -3.4676000000e-03  2.0958000000e-03
-
-JOB 48
-COORDS  1.7659800000e-01  1.8373900000e+00 -1.9192900000e-01  3.6652300000e-01  2.6251500000e+00 -7.0143400000e-01  6.5595200000e-01  1.1404460000e+00 -6.3994800000e-01 -2.2129000000e-01 -1.8295200000e+00  1.7626500000e-01 -3.3166300000e-01 -2.6676730000e+00  6.2520800000e-01  1.1884000000e-02 -1.2139310000e+00  8.7118300000e-01
-ENERGY -1.526560383869e+02
-FORCES  2.1763000000e-03  5.2170000000e-04 -5.1182000000e-03 -7.0470000000e-04 -3.1262000000e-03  1.9627000000e-03 -1.4116000000e-03  3.6833000000e-03  3.2511000000e-03 -6.3380000000e-04 -1.1079000000e-03  5.4130000000e-03  3.8390000000e-04  3.3890000000e-03 -1.7145000000e-03  1.9010000000e-04 -3.3598000000e-03 -3.7941000000e-03
-
-JOB 49
-COORDS  9.5086800000e-01 -3.0495800000e-01 -1.5298770000e+00  1.2232030000e+00  2.5797500000e-01 -2.2545640000e+00  8.4269200000e-01 -1.1698770000e+00 -1.9254080000e+00 -9.0536700000e-01  3.2800700000e-01  1.5648150000e+00 -1.1770910000e+00 -2.7346700000e-01  2.2580880000e+00 -1.6961690000e+00  8.2454400000e-01  1.3543040000e+00
-ENERGY -1.526520549259e+02
-FORCES  5.3780000000e-04 -1.4053000000e-03 -4.0502000000e-03 -1.3173000000e-03 -2.1608000000e-03  3.1609000000e-03  4.9260000000e-04  3.5213000000e-03  1.5892000000e-03 -4.1173000000e-03 -3.9530000000e-04  1.0892000000e-03  1.2769000000e-03  2.3098000000e-03 -2.9440000000e-03  3.1274000000e-03 -1.8697000000e-03  1.1550000000e-03
-
-JOB 50
-COORDS -1.6158320000e+00  9.2716000000e-02  1.0333350000e+00 -1.7108370000e+00 -2.7116000000e-01  1.5310800000e-01 -1.9508270000e+00  9.8646000000e-01  9.6100100000e-01  1.6709310000e+00 -1.7041400000e-01 -9.7675100000e-01  1.9586260000e+00  6.6680200000e-01 -1.3408010000e+00  7.5881900000e-01 -2.2689000000e-02 -7.2683100000e-01
-ENERGY -1.526543048395e+02
-FORCES -4.3866000000e-03  1.7544000000e-03 -2.1115000000e-03  2.7803000000e-03  2.5414000000e-03  3.4051000000e-03  2.0124000000e-03 -4.0323000000e-03 -8.3300000000e-05 -2.3841000000e-03  4.2595000000e-03  1.2354000000e-03 -1.2900000000e-03 -3.3935000000e-03  1.2965000000e-03  3.2681000000e-03 -1.1295000000e-03 -3.7421000000e-03
-
-JOB 51
-COORDS -1.2812810000e+00 -7.6836400000e-01 -1.2670390000e+00 -5.2886800000e-01 -3.3820800000e-01 -8.6074900000e-01 -2.0207670000e+00 -1.9251200000e-01 -1.0726520000e+00  1.3397590000e+00  6.6589600000e-01  1.2097540000e+00  4.5314500000e-01  4.0452500000e-01  1.4584150000e+00  1.3472680000e+00  1.6174880000e+00  1.3129480000e+00
-ENERGY -1.526552476730e+02
-FORCES  1.1680000000e-03  4.0299000000e-03  1.1567000000e-03 -5.6345000000e-03 -2.2001000000e-03 -9.8070000000e-04  3.1995000000e-03 -2.2880000000e-03 -1.4050000000e-04 -1.8493000000e-03  3.4070000000e-03  4.0647000000e-03  3.5199000000e-03  1.4358000000e-03 -3.4270000000e-03 -4.0360000000e-04 -4.3846000000e-03 -6.7320000000e-04
-
-JOB 52
-COORDS  5.7354100000e-01 -1.6395720000e+00 -7.4192500000e-01  1.1835280000e+00 -1.6530650000e+00 -1.4794650000e+00  3.3495600000e-01 -2.5572690000e+00 -6.1099900000e-01 -5.4257400000e-01  1.7354030000e+00  8.0711500000e-01 -1.3988490000e+00  2.0031250000e+00  4.7342400000e-01 -5.2046300000e-01  7.8720300000e-01  6.7803800000e-01
-ENERGY -1.526571114232e+02
-FORCES  2.7530000000e-03 -4.3170000000e-03 -3.2996000000e-03 -2.7146000000e-03 -6.1710000000e-04  2.9998000000e-03  8.8910000000e-04  3.9403000000e-03 -6.2730000000e-04 -2.5006000000e-03 -4.1761000000e-03 -2.5461000000e-03  3.1083000000e-03 -7.8480000000e-04  1.3424000000e-03 -1.5352000000e-03  5.9547000000e-03  2.1309000000e-03
-
-JOB 53
-COORDS  8.4274100000e-01  1.6523360000e+00 -6.8115400000e-01 -9.3781000000e-02  1.8444150000e+00 -6.3356500000e-01  9.8791300000e-01  1.3893820000e+00 -1.5900060000e+00 -7.8522900000e-01 -1.5927590000e+00  6.9301200000e-01 -1.6060930000e+00 -1.9631270000e+00  1.0174230000e+00 -1.0798000000e-01 -2.1809860000e+00  1.0270100000e+00
-ENERGY -1.526541584769e+02
-FORCES -4.3386000000e-03 -1.9868000000e-03 -2.8180000000e-03  3.8924000000e-03  6.9120000000e-04 -6.9860000000e-04 -1.3790000000e-04  1.4575000000e-03  3.3096000000e-03  5.2640000000e-04 -3.9459000000e-03  3.1744000000e-03  3.2669000000e-03  1.8857000000e-03 -1.5443000000e-03 -3.2093000000e-03  1.8983000000e-03 -1.4231000000e-03
-
-JOB 54
-COORDS -9.6505300000e-01 -1.5166980000e+00 -9.6008000000e-01 -5.3413300000e-01 -1.2626210000e+00 -1.4400200000e-01 -8.7720200000e-01 -7.5017200000e-01 -1.5266060000e+00  9.4550700000e-01  1.4941930000e+00  8.8606700000e-01  3.3034200000e-01  1.6829830000e+00  1.5947010000e+00  1.4315870000e+00  7.2696800000e-01  1.1882640000e+00
-ENERGY -1.526554883080e+02
-FORCES  2.4366000000e-03  5.6107000000e-03  7.5870000000e-04 -1.6206000000e-03 -2.4574000000e-03 -2.3647000000e-03 -9.2210000000e-04 -3.9363000000e-03  1.6201000000e-03  7.8930000000e-04 -3.6320000000e-04  5.3182000000e-03  2.5798000000e-03 -1.4003000000e-03 -3.3906000000e-03 -3.2630000000e-03  2.5465000000e-03 -1.9418000000e-03
-
-JOB 55
-COORDS -1.7824010000e+00 -3.4546400000e-01 -6.7379300000e-01 -1.8887400000e+00 -8.4642300000e-01 -1.4824740000e+00 -2.1684290000e+00 -8.9976900000e-01  4.4100000000e-03  1.8561970000e+00  4.4453700000e-01  7.0714200000e-01  9.0961700000e-01  4.4886900000e-01  8.4926200000e-01  1.9929710000e+00 -2.0944200000e-01  2.1696000000e-02
-ENERGY -1.526564057998e+02
-FORCES -3.8029000000e-03 -4.3530000000e-03 -1.7685000000e-03  5.3850000000e-04  1.9406000000e-03  3.6433000000e-03  2.4296000000e-03  2.5121000000e-03 -2.7020000000e-03 -4.8561000000e-03 -2.2736000000e-03 -3.2990000000e-03  5.1964000000e-03  1.4400000000e-05  1.3529000000e-03  4.9440000000e-04  2.1595000000e-03  2.7734000000e-03
-
-JOB 56
-COORDS  1.2118000000e-01  1.2491160000e+00  1.5933350000e+00  2.8546000000e-01  6.6084000000e-01  8.5633100000e-01  6.6811700000e-01  2.0144090000e+00  1.4160800000e+00 -1.9464300000e-01 -1.2296850000e+00 -1.4966720000e+00  2.0815900000e-01 -2.0979160000e+00 -1.4841030000e+00  2.2074000000e-02 -8.7705800000e-01 -2.3597600000e+00
-ENERGY -1.526567755809e+02
-FORCES  2.1292000000e-03 -4.3900000000e-04 -4.6795000000e-03  4.6090000000e-04  4.2486000000e-03  5.0754000000e-03 -2.0040000000e-03 -2.8098000000e-03  6.6400000000e-04  1.5534000000e-03 -3.6010000000e-03 -4.8435000000e-03 -1.5458000000e-03  3.9772000000e-03 -1.7180000000e-04 -5.9360000000e-04 -1.3760000000e-03  3.9555000000e-03
-
-JOB 57
-COORDS  3.3613000000e-02  1.2280970000e+00  1.6759890000e+00 -6.6326600000e-01  8.2145800000e-01  2.1910000000e+00 -4.2573300000e-01  1.7914770000e+00  1.0532240000e+00  7.5411000000e-02 -1.2313870000e+00 -1.7094290000e+00 -3.3413200000e-01 -2.0494080000e+00 -1.4277410000e+00 -3.1571200000e-01 -5.6159700000e-01 -1.1485050000e+00
-ENERGY -1.526542222687e+02
-FORCES -4.0959000000e-03  2.0587000000e-03  1.2762000000e-03  2.9103000000e-03  1.3723000000e-03 -2.8718000000e-03  1.7975000000e-03 -3.5741000000e-03  1.9735000000e-03 -2.3244000000e-03 -4.4270000000e-04  4.5301000000e-03  1.3975000000e-03  3.2268000000e-03 -1.3127000000e-03  3.1500000000e-04 -2.6410000000e-03 -3.5954000000e-03
-
-JOB 58
-COORDS -6.3117800000e-01 -1.6907900000e-01  1.9914520000e+00 -7.9637800000e-01 -2.0004600000e-01  1.0491240000e+00 -1.4948900000e+00 -2.7530600000e-01  2.3901360000e+00  6.1717100000e-01  1.8806300000e-01 -1.9740060000e+00  1.0295450000e+00 -2.8700200000e-01 -1.2525540000e+00  1.3481330000e+00  4.7442400000e-01 -2.5216600000e+00
-ENERGY -1.526554101576e+02
-FORCES -5.0868000000e-03  7.3400000000e-05 -2.2751000000e-03  1.8105000000e-03 -8.5540000000e-04  4.4402000000e-03  3.5111000000e-03  4.0150000000e-04 -1.4431000000e-03  5.8389000000e-03 -2.7620000000e-04 -9.0100000000e-05 -3.0999000000e-03  2.0112000000e-03 -2.7220000000e-03 -2.9738000000e-03 -1.3546000000e-03  2.0900000000e-03
-
-JOB 59
-COORDS -6.4413000000e-02  1.5793700000e+00  1.3513410000e+00 -3.7711700000e-01  1.8173730000e+00  4.7852800000e-01 -5.2113000000e-01  2.1787350000e+00  1.9415980000e+00  1.2552700000e-01 -1.5658700000e+00 -1.3136680000e+00 -6.9029400000e-01 -1.8260270000e+00 -1.7414370000e+00  6.3350500000e-01 -2.3749180000e+00 -1.2534100000e+00
-ENERGY -1.526537831303e+02
-FORCES -2.9220000000e-03  2.6729000000e-03 -2.1440000000e-03  8.7120000000e-04  1.3620000000e-04  4.0945000000e-03  1.8277000000e-03 -2.5702000000e-03 -2.2989000000e-03 -8.4120000000e-04 -4.8345000000e-03 -6.5300000000e-04  3.2561000000e-03  1.4301000000e-03  1.6204000000e-03 -2.1918000000e-03  3.1655000000e-03 -6.1910000000e-04
-
-JOB 60
-COORDS  1.7218800000e+00 -5.0175900000e-01  1.0726600000e+00  1.5331010000e+00 -1.4191660000e+00  8.7527800000e-01  2.6368120000e+00 -5.0015400000e-01  1.3539580000e+00 -1.7811520000e+00  5.7984500000e-01 -1.1203130000e+00 -1.3293330000e+00  9.0640900000e-01 -3.4220800000e-01 -1.7861730000e+00 -3.7135300000e-01 -1.0134130000e+00
-ENERGY -1.526552883245e+02
-FORCES  4.1759000000e-03 -3.6639000000e-03  4.2690000000e-04  1.6840000000e-04  3.8896000000e-03  7.8470000000e-04 -3.8113000000e-03 -2.3590000000e-04 -1.1162000000e-03  2.9410000000e-03 -2.2286000000e-03  4.1382000000e-03 -3.1759000000e-03 -1.0801000000e-03 -3.5568000000e-03 -2.9810000000e-04  3.3190000000e-03 -6.7680000000e-04
-
-JOB 61
-COORDS  1.7054520000e+00  8.3749300000e-01  1.1592910000e+00  2.5933430000e+00  4.9101000000e-01  1.2477830000e+00  1.3267070000e+00  3.4410200000e-01  4.3172700000e-01 -1.7090870000e+00 -8.4723900000e-01 -1.1021070000e+00 -2.5191520000e+00 -4.1074800000e-01 -8.3847400000e-01 -1.3634390000e+00 -3.0417600000e-01 -1.8105150000e+00
-ENERGY -1.526552017522e+02
-FORCES  1.4199000000e-03 -4.1904000000e-03 -2.3906000000e-03 -3.4568000000e-03  1.4983000000e-03 -4.0240000000e-04  2.6744000000e-03  3.0232000000e-03  2.6597000000e-03 -3.3657000000e-03  3.9095000000e-03 -1.8147000000e-03  3.3492000000e-03 -1.9271000000e-03 -1.4359000000e-03 -6.2100000000e-04 -2.3134000000e-03  3.3840000000e-03
-
-JOB 62
-COORDS  3.1907900000e-01  7.2813100000e-01 -2.1763950000e+00  7.5500300000e-01 -1.1892000000e-02 -1.7538220000e+00  8.3001000000e-02  1.3113810000e+00 -1.4550640000e+00 -3.7492700000e-01 -7.5840100000e-01  2.1163700000e+00  4.8893000000e-01 -9.6519700000e-01  1.7596950000e+00 -3.5781800000e-01  1.8889700000e-01  2.2526220000e+00
-ENERGY -1.526533963973e+02
-FORCES  2.1200000000e-05 -1.0281000000e-03  4.5203000000e-03 -1.2188000000e-03  3.2719000000e-03 -1.4907000000e-03  1.4735000000e-03 -2.1734000000e-03 -2.7715000000e-03  3.4100000000e-03  2.5971000000e-03  3.8750000000e-04 -3.7457000000e-03  1.2522000000e-03  6.3060000000e-04  5.9700000000e-05 -3.9197000000e-03 -1.2762000000e-03
-
-JOB 63
-COORDS -2.2334260000e+00  2.3190700000e-01  1.8946500000e-01 -2.3985120000e+00  1.0350220000e+00  6.8341300000e-01 -2.6167740000e+00 -4.6247700000e-01  7.2529000000e-01  2.2503590000e+00 -1.7677900000e-01 -2.6773900000e-01  3.0437300000e+00 -6.0546200000e-01  5.3238000000e-02  1.5372820000e+00 -7.5011000000e-01  1.3410000000e-02
-ENERGY -1.526545341529e+02
-FORCES -2.7697000000e-03  1.3538000000e-03  4.0107000000e-03  4.3230000000e-04 -3.5749000000e-03 -1.9254000000e-03  2.0694000000e-03  2.6338000000e-03 -2.2107000000e-03 -6.1520000000e-04 -3.9753000000e-03  2.1205000000e-03 -3.2014000000e-03  1.7537000000e-03 -1.2145000000e-03  4.0846000000e-03  1.8088000000e-03 -7.8060000000e-04
-
-JOB 64
-COORDS  8.6443300000e-01 -4.9348200000e-01  2.0800140000e+00  9.9013100000e-01 -5.2607600000e-01  3.0283650000e+00 -7.3213000000e-02 -6.4152200000e-01  1.9569790000e+00 -8.1456800000e-01  5.5873300000e-01 -2.1754350000e+00 -1.6736900000e-01 -1.0643700000e-01 -1.9410960000e+00 -1.5587700000e+00  3.8280800000e-01 -1.5997220000e+00
-ENERGY -1.526540239058e+02
-FORCES -2.9598000000e-03 -3.9280000000e-04  4.1538000000e-03 -6.1660000000e-04  7.9900000000e-05 -3.9554000000e-03  3.7129000000e-03  4.1980000000e-04 -2.2070000000e-04  3.4700000000e-04 -3.2525000000e-03  3.4058000000e-03 -3.3024000000e-03  2.5677000000e-03 -1.2955000000e-03  2.8189000000e-03  5.7780000000e-04 -2.0880000000e-03
-
-JOB 65
-COORDS -8.0070500000e-01  1.3665200000e-01 -2.1524860000e+00 -8.7284700000e-01  5.9023500000e-01 -2.9923010000e+00 -1.1781260000e+00 -7.2811900000e-01 -2.3135960000e+00  7.6030600000e-01 -9.4532000000e-02  2.1914970000e+00  1.5587560000e+00  2.1883800000e-01  1.7666330000e+00  1.0587530000e+00 -7.8424600000e-01  2.7843340000e+00
-ENERGY -1.526536377691e+02
-FORCES -2.2598000000e-03 -1.8923000000e-03 -3.6161000000e-03  4.5200000000e-04 -1.8006000000e-03  3.4850000000e-03  1.6244000000e-03  3.5418000000e-03  2.8290000000e-04  4.4329000000e-03 -1.2120000000e-03 -1.5520000000e-04 -2.9126000000e-03 -1.3363000000e-03  2.3895000000e-03 -1.3370000000e-03  2.6994000000e-03 -2.3861000000e-03
-
-JOB 66
-COORDS  1.8116630000e+00 -8.4354700000e-01 -1.1266860000e+00  2.1613150000e+00 -1.7341710000e+00 -1.0990380000e+00  2.4108850000e+00 -3.6823700000e-01 -1.7022240000e+00 -1.8332730000e+00  8.7036800000e-01  1.2122840000e+00 -2.4145180000e+00  1.4984990000e+00  7.8352100000e-01 -1.7370450000e+00  1.6040700000e-01  5.7751700000e-01
-ENERGY -1.526546086740e+02
-FORCES  4.4774000000e-03 -1.4131000000e-03 -1.9429000000e-03 -1.6077000000e-03  3.6311000000e-03 -2.2570000000e-04 -2.4953000000e-03 -2.1006000000e-03  2.1998000000e-03 -9.4680000000e-04 -6.7510000000e-04 -4.8219000000e-03  2.1710000000e-03 -2.3766000000e-03  1.7928000000e-03 -1.5985000000e-03  2.9343000000e-03  2.9979000000e-03
-
-JOB 67
-COORDS  1.3883260000e+00  2.6314400000e-01 -1.9685400000e+00  1.4130750000e+00 -4.4829500000e-01 -1.3286390000e+00  2.3044250000e+00  5.1687400000e-01 -2.0808620000e+00 -1.4777370000e+00 -2.8315600000e-01  1.9756950000e+00 -1.7358760000e+00  1.6989100000e-01  1.1729850000e+00 -5.8878600000e-01  2.5838000000e-02  2.1503940000e+00
-ENERGY -1.526547314830e+02
-FORCES  4.2654000000e-03 -2.2702000000e-03  1.3813000000e-03 -2.7180000000e-04  3.5033000000e-03 -2.2697000000e-03 -3.8390000000e-03 -1.0331000000e-03  6.3350000000e-04  2.1064000000e-03  3.7225000000e-03 -2.6119000000e-03  1.0684000000e-03 -2.2077000000e-03  3.6038000000e-03 -3.3295000000e-03 -1.7147000000e-03 -7.3700000000e-04
-
-JOB 68
-COORDS -1.6166450000e+00  1.2535240000e+00  1.4911850000e+00 -1.1430720000e+00  1.1709150000e+00  6.6345600000e-01 -2.3848040000e+00  6.9233100000e-01  1.3852280000e+00  1.6093450000e+00 -1.1504050000e+00 -1.4516590000e+00  1.1925370000e+00 -1.7666450000e+00 -8.4937100000e-01  2.3769330000e+00 -1.6182480000e+00 -1.7805420000e+00
-ENERGY -1.526548355650e+02
-FORCES -9.2850000000e-04 -2.1626000000e-03 -4.2020000000e-03 -2.4719000000e-03  1.6700000000e-04  3.8907000000e-03  3.1430000000e-03  2.0508000000e-03  5.4430000000e-04  2.1915000000e-03 -4.6472000000e-03  1.0158000000e-03  1.2862000000e-03  2.7986000000e-03 -2.5964000000e-03 -3.2202000000e-03  1.7933000000e-03  1.3476000000e-03
-
-JOB 69
-COORDS  8.0688000000e-01  2.2730970000e+00 -8.5444600000e-01  1.8252900000e-01  2.7508470000e+00 -1.4004990000e+00  7.7275300000e-01  2.7164840000e+00 -6.8170000000e-03 -7.8409900000e-01 -2.3643120000e+00  8.8764300000e-01  8.4086000000e-02 -2.1552080000e+00  5.4302400000e-01 -1.3899410000e+00 -1.9019740000e+00  3.0847900000e-01
-ENERGY -1.526550077707e+02
-FORCES -2.4166000000e-03  4.3668000000e-03  1.2774000000e-03  2.4607000000e-03 -2.1591000000e-03  2.2719000000e-03  7.9200000000e-05 -1.9146000000e-03 -3.6025000000e-03  1.4256000000e-03  3.1581000000e-03 -4.0657000000e-03 -3.5716000000e-03 -1.3564000000e-03  1.6576000000e-03  2.0227000000e-03 -2.0949000000e-03  2.4613000000e-03
-
-JOB 70
-COORDS  9.3182400000e-01  5.6443300000e-01  2.3131550000e+00  2.8307300000e-01  7.4942100000e-01  2.9922230000e+00  1.6633720000e+00  1.1478690000e+00  2.5148270000e+00 -9.5553200000e-01 -6.1747700000e-01 -2.3071920000e+00 -1.4139580000e+00 -4.1795600000e-01 -3.1234450000e+00 -3.1842000000e-02 -6.5926500000e-01 -2.5547450000e+00
-ENERGY -1.526536065672e+02
-FORCES -2.0790000000e-04  3.1150000000e-03  3.4547000000e-03  2.8540000000e-03 -7.0250000000e-04 -2.5605000000e-03 -2.8646000000e-03 -2.4232000000e-03 -9.2310000000e-04  2.3455000000e-03  6.9660000000e-04 -3.8410000000e-03  1.7649000000e-03 -7.8400000000e-04  3.3518000000e-03 -3.8919000000e-03  9.8100000000e-05  5.1810000000e-04
-
-JOB 71
-COORDS -1.8564320000e+00  1.2094750000e+00 -1.7186620000e+00 -9.2642700000e-01  1.0103490000e+00 -1.8266990000e+00 -2.0927560000e+00  1.6898620000e+00 -2.5121420000e+00  1.8058790000e+00 -1.1741590000e+00  1.7402830000e+00  2.6057120000e+00 -1.3627340000e+00  2.2311380000e+00  1.3020170000e+00 -1.9869900000e+00  1.7810500000e+00
-ENERGY -1.526543956350e+02
-FORCES  3.2247000000e-03  1.1540000000e-03 -3.2958000000e-03 -4.1261000000e-03  8.5320000000e-04 -3.1700000000e-05  8.9050000000e-04 -1.9462000000e-03  3.1690000000e-03  9.6790000000e-04 -4.0962000000e-03  2.4727000000e-03 -3.2267000000e-03  7.5950000000e-04 -2.0577000000e-03  2.2697000000e-03  3.2757000000e-03 -2.5650000000e-04
-
-JOB 72
-COORDS -1.5239950000e+00 -1.5945220000e+00  1.9030460000e+00 -1.5922630000e+00 -2.1034450000e+00  1.0952280000e+00 -9.4773600000e-01 -8.6396100000e-01  1.6784610000e+00  1.4606960000e+00  1.5272010000e+00 -1.8220910000e+00  2.3597480000e+00  1.7890880000e+00 -1.6237160000e+00  1.0921960000e+00  2.2733570000e+00 -2.2950520000e+00
-ENERGY -1.526550118378e+02
-FORCES  2.3277000000e-03  1.1370000000e-03 -4.5968000000e-03  6.0700000000e-05  1.7972000000e-03  3.3984000000e-03 -2.5244000000e-03 -3.0806000000e-03  1.4085000000e-03  2.3794000000e-03  4.3328000000e-03 -1.4671000000e-03 -3.7626000000e-03 -1.0922000000e-03 -7.4360000000e-04  1.5192000000e-03 -3.0941000000e-03  2.0004000000e-03
-
-JOB 73
-COORDS  2.8727000000e-02 -2.9104940000e+00  4.1406300000e-01 -2.0042700000e-01 -2.5936080000e+00 -4.5960900000e-01  8.0061900000e-01 -2.4004370000e+00  6.5953700000e-01 -7.8725000000e-02  2.8962840000e+00 -3.3223500000e-01  2.4699100000e-01  2.0084840000e+00 -4.8040200000e-01 -7.6457000000e-02  3.3006570000e+00 -1.1998230000e+00
-ENERGY -1.526534888008e+02
-FORCES  2.1228000000e-03  3.0073000000e-03 -2.3216000000e-03  1.0975000000e-03 -9.9350000000e-04  3.5731000000e-03 -3.2421000000e-03 -1.8586000000e-03 -1.2792000000e-03  1.1848000000e-03 -1.6793000000e-03 -4.1318000000e-03 -1.1882000000e-03  3.3178000000e-03  5.6530000000e-04  2.5300000000e-05 -1.7936000000e-03  3.5942000000e-03
-
-JOB 74
-COORDS  1.9102990000e+00  2.8904800000e-01  2.6514050000e+00  1.1370320000e+00  8.4735600000e-01  2.7325360000e+00  2.5776920000e+00  8.5774100000e-01  2.2674710000e+00 -1.9241230000e+00 -3.2372000000e-01 -2.6931810000e+00 -1.0713530000e+00 -5.9635600000e-01 -2.3545280000e+00 -2.5414890000e+00 -5.4687100000e-01 -1.9965490000e+00
-ENERGY -1.526543436330e+02
-FORCES -1.9260000000e-04  4.7972000000e-03 -9.1940000000e-04  3.0612000000e-03 -2.4395000000e-03 -4.9650000000e-04 -2.8111000000e-03 -2.4052000000e-03  1.4874000000e-03  9.9980000000e-04 -2.2917000000e-03  4.2011000000e-03 -3.5245000000e-03  1.2934000000e-03 -1.4480000000e-03  2.4672000000e-03  1.0459000000e-03 -2.8246000000e-03
-
-JOB 75
-COORDS  1.5309260000e+00  1.8257810000e+00 -2.4013230000e+00  1.8585390000e+00  1.1465230000e+00 -1.8118230000e+00  7.7762100000e-01  2.1983210000e+00 -1.9430910000e+00 -1.4942090000e+00 -1.7398160000e+00  2.3642200000e+00 -2.3560390000e+00 -2.1560050000e+00  2.3806080000e+00 -8.9568800000e-01 -2.4377490000e+00  2.0979610000e+00
-ENERGY -1.526544450227e+02
-FORCES -1.8735000000e-03 -1.2191000000e-03  4.4953000000e-03 -1.1809000000e-03  2.6678000000e-03 -2.5360000000e-03  3.1130000000e-03 -1.4292000000e-03 -2.0360000000e-03 -1.2792000000e-03 -4.7370000000e-03 -7.9520000000e-04  3.5669000000e-03  1.7184000000e-03 -9.7100000000e-05 -2.3463000000e-03  2.9992000000e-03  9.6900000000e-04
-
-JOB 76
-COORDS -3.4806290000e+00  1.1291530000e+00 -1.9059120000e+00 -3.8339480000e+00  4.7139300000e-01 -2.5048690000e+00 -3.4087530000e+00  1.9227370000e+00 -2.4362800000e+00  3.5586870000e+00 -1.1262260000e+00  1.9678910000e+00  2.9059770000e+00 -5.0820700000e-01  1.6388720000e+00  3.0475130000e+00 -1.8771480000e+00  2.2696360000e+00
-ENERGY -1.526543203286e+02
-FORCES -1.2672000000e-03  6.1230000000e-04 -4.6774000000e-03  1.4816000000e-03  2.6624000000e-03  2.4725000000e-03 -2.5720000000e-04 -3.2586000000e-03  2.1854000000e-03 -4.8801000000e-03 -4.8950000000e-04 -1.3440000000e-04  2.7752000000e-03 -2.5238000000e-03  1.3570000000e-03  2.1477000000e-03  2.9973000000e-03 -1.2031000000e-03
-
-JOB 77
-COORDS -1.8054870000e+00  1.4667100000e+00  3.5319130000e+00 -2.0711490000e+00  2.2763290000e+00  3.9680000000e+00 -1.7839340000e+00  1.6911230000e+00  2.6016410000e+00  1.7903260000e+00 -1.5265180000e+00 -3.4474650000e+00  2.1453050000e+00 -6.9117000000e-01 -3.7514640000e+00  1.9092070000e+00 -2.1214630000e+00 -4.1878290000e+00
-ENERGY -1.526540307643e+02
-FORCES -9.4250000000e-04  4.1027000000e-03 -2.1342000000e-03  1.0789000000e-03 -3.2814000000e-03 -1.7522000000e-03 -1.3810000000e-04 -8.0040000000e-04  3.8704000000e-03  1.9960000000e-03  8.7970000000e-04 -4.2452000000e-03 -1.4997000000e-03 -3.3600000000e-03  1.2539000000e-03 -4.9460000000e-04  2.4594000000e-03  3.0074000000e-03
-
-JOB 78
-COORDS -1.5581840000e+00  9.5469700000e-01 -3.9385320000e+00 -1.3115170000e+00  5.9546600000e-01 -4.7907880000e+00 -2.3747740000e+00  1.4259150000e+00 -4.1039590000e+00  1.5600650000e+00 -9.0412500000e-01  3.9860020000e+00  2.5038270000e+00 -1.0536850000e+00  3.9296250000e+00  1.1920920000e+00 -1.7651210000e+00  4.1847840000e+00
-ENERGY -1.526539191636e+02
-FORCES -2.3308000000e-03  5.0190000000e-04 -4.0676000000e-03 -9.9540000000e-04  1.4444000000e-03  3.4675000000e-03  3.3290000000e-03 -1.9396000000e-03  6.3280000000e-04  2.3063000000e-03 -4.1063000000e-03  3.9560000000e-04 -3.8242000000e-03  6.0090000000e-04  3.0360000000e-04  1.5151000000e-03  3.4986000000e-03 -7.3190000000e-04
-
-JOB 79
-COORDS  3.7880260000e+00  1.5162350000e+00  1.6515810000e+00  4.6980380000e+00  1.2682510000e+00  1.8147170000e+00  3.2817340000e+00  9.9397600000e-01  2.2737920000e+00 -3.8408610000e+00 -1.5167530000e+00 -1.6733650000e+00 -3.0228910000e+00 -1.5755090000e+00 -2.1670310000e+00 -4.0434980000e+00 -5.8142600000e-01 -1.6551170000e+00
-ENERGY -1.526542270672e+02
-FORCES  1.6889000000e-03 -3.1380000000e-03  3.2781000000e-03 -3.7171000000e-03  1.0092000000e-03 -6.8480000000e-04  2.0527000000e-03  2.1408000000e-03 -2.5833000000e-03  2.5512000000e-03  3.6374000000e-03 -1.9708000000e-03 -3.3596000000e-03  1.8540000000e-04  2.0201000000e-03  7.8390000000e-04 -3.8348000000e-03 -5.9300000000e-05
-
-JOB 80
-COORDS -2.1087020000e+00  3.0160860000e+00 -2.9135600000e+00 -1.5072390000e+00  2.8231620000e+00 -2.1943560000e+00 -2.8180320000e+00  2.3817840000e+00 -2.8099050000e+00  2.1687290000e+00 -2.9900850000e+00  2.9114210000e+00  2.0581090000e+00 -2.3291070000e+00  2.2279710000e+00  1.3203630000e+00 -3.4308610000e+00  2.9585620000e+00
-ENERGY -1.526538967920e+02
-FORCES -4.9100000000e-04 -3.2724000000e-03  3.3120000000e-03 -2.4405000000e-03  6.9950000000e-04 -2.9139000000e-03  2.9479000000e-03  2.5481000000e-03 -3.8680000000e-04 -3.8401000000e-03  8.1230000000e-04 -2.5621000000e-03  3.8040000000e-04 -2.6481000000e-03  2.7752000000e-03  3.4433000000e-03  1.8605000000e-03 -2.2450000000e-04
-
-JOB 81
-COORDS -1.3515950000e+00 -3.0835000000e+00 -3.8401430000e+00 -7.6518500000e-01 -2.4513290000e+00 -4.2557340000e+00 -8.2878400000e-01 -3.4700190000e+00 -3.1376450000e+00  1.2876990000e+00  3.0955180000e+00  3.7572220000e+00  5.3620500000e-01  2.9734770000e+00  4.3373900000e+00  2.0356750000e+00  2.7784990000e+00  4.2634460000e+00
-ENERGY -1.526541259796e+02
-FORCES  4.5357000000e-03  1.0933000000e-03  1.2062000000e-03 -2.3914000000e-03 -2.6225000000e-03  1.6593000000e-03 -2.1387000000e-03  1.5203000000e-03 -2.8708000000e-03 -5.5600000000e-05 -1.7363000000e-03  4.4714000000e-03  3.0888000000e-03  4.7970000000e-04 -2.3722000000e-03 -3.0388000000e-03  1.2655000000e-03 -2.0940000000e-03
-
-JOB 82
-COORDS  3.7819460000e+00 -1.9427240000e+00  2.8327760000e+00  3.3842400000e+00 -1.0973220000e+00  3.0410000000e+00  4.7233380000e+00 -1.7930860000e+00  2.9200720000e+00 -3.7537580000e+00  1.8797150000e+00 -2.8713700000e+00 -4.2428500000e+00  1.4015700000e+00 -2.2017450000e+00 -4.2864450000e+00  2.6546410000e+00 -3.0501590000e+00
-ENERGY -1.526540651704e+02
-FORCES  2.2076000000e-03  4.0912000000e-03  1.1163000000e-03  1.6249000000e-03 -3.4629000000e-03 -7.9030000000e-04 -3.8314000000e-03 -6.2220000000e-04 -3.2530000000e-04 -4.1786000000e-03  1.1462000000e-03  1.9849000000e-03  1.9918000000e-03  1.9910000000e-03 -2.7236000000e-03  2.1858000000e-03 -3.1433000000e-03  7.3800000000e-04
-
-JOB 83
-COORDS -3.5415550000e+00  3.6896010000e+00  5.2816000000e-02 -3.1736040000e+00  4.5650680000e+00  1.7282300000e-01 -4.1064440000e+00  3.5601960000e+00  8.1464700000e-01  3.4924220000e+00 -3.7100850000e+00 -8.1047000000e-02  4.2353800000e+00 -3.1533950000e+00 -3.1416100000e-01  3.8054160000e+00 -4.6024620000e+00 -2.2913300000e-01
-ENERGY -1.526539877360e+02
-FORCES -7.5860000000e-04  2.9617000000e-03  3.6308000000e-03 -1.5112000000e-03 -3.5439000000e-03 -5.0540000000e-04  2.2770000000e-03  5.6970000000e-04 -3.1179000000e-03  4.2608000000e-03 -1.3254000000e-03 -1.6045000000e-03 -3.0008000000e-03 -2.2921000000e-03  9.7470000000e-04 -1.2671000000e-03  3.6300000000e-03  6.2230000000e-04
-
-JOB 84
-COORDS  5.1180160000e+00 -1.8693920000e+00 -1.2812670000e+00  5.1659210000e+00 -2.4195270000e+00 -4.9941700000e-01  4.5977190000e+00 -1.1128220000e+00 -1.0108520000e+00 -5.1351420000e+00  1.9096330000e+00  1.2033900000e+00 -5.0002040000e+00  1.0732390000e+00  7.5789100000e-01 -4.5358990000e+00  1.8836280000e+00  1.9493550000e+00
-ENERGY -1.526540087491e+02
-FORCES -1.8588000000e-03  8.5790000000e-04  4.2736000000e-03 -2.3390000000e-04  2.2494000000e-03 -3.1868000000e-03  2.0832000000e-03 -3.1087000000e-03 -1.0862000000e-03  2.9311000000e-03 -3.5193000000e-03  1.2151000000e-03 -5.1370000000e-04  3.4199000000e-03  1.8361000000e-03 -2.4079000000e-03  1.0080000000e-04 -3.0517000000e-03
-
-JOB 85
-COORDS  4.0889960000e+00 -1.7478150000e+00  4.3751690000e+00  4.2992100000e+00 -1.6185690000e+00  5.3000130000e+00  4.5050190000e+00 -1.0101100000e+00  3.9291320000e+00 -4.1571500000e+00  1.6843880000e+00 -4.3498190000e+00 -3.2749900000e+00  2.0559050000e+00 -4.3487320000e+00 -4.3987590000e+00  1.6424730000e+00 -5.2750750000e+00
-ENERGY -1.526540401129e+02
-FORCES  2.5234000000e-03  3.5363000000e-03  1.9657000000e-03 -8.4410000000e-04 -5.2680000000e-04 -3.7771000000e-03 -1.6840000000e-03 -3.0085000000e-03  1.8093000000e-03  2.6261000000e-03  1.3068000000e-03 -3.7555000000e-03 -3.6030000000e-03 -1.4918000000e-03 -1.3400000000e-05  9.8150000000e-04  1.8410000000e-04  3.7711000000e-03
-
-JOB 86
-COORDS  4.1850930000e+00 -4.6673220000e+00 -2.2165720000e+00  4.1948030000e+00 -5.0563540000e+00 -3.0910960000e+00  3.3743640000e+00 -4.9870320000e+00 -1.8206740000e+00 -4.1408500000e+00  4.7519560000e+00  2.2087410000e+00 -4.3355670000e+00  4.7434540000e+00  3.1458890000e+00 -3.9270130000e+00  3.8426430000e+00  1.9998000000e+00
-ENERGY -1.526540626962e+02
-FORCES -3.2464000000e-03 -2.8954000000e-03 -1.9778000000e-03 -4.8100000000e-05  1.5848000000e-03  3.5774000000e-03  3.2954000000e-03  1.3137000000e-03 -1.5991000000e-03  1.1110000000e-04 -3.7341000000e-03  2.9749000000e-03  7.8130000000e-04  3.0300000000e-05 -3.8249000000e-03 -8.9330000000e-04  3.7008000000e-03  8.4950000000e-04
-
-JOB 87
-COORDS  2.9717200000e+00 -4.1668860000e+00 -5.4303540000e+00  3.1937550000e+00 -4.9647680000e+00 -5.9102660000e+00  3.6364140000e+00 -4.1067110000e+00 -4.7442100000e+00 -3.0337910000e+00  4.1748750000e+00  5.4651320000e+00 -3.3582460000e+00  4.0660740000e+00  4.5711950000e+00 -2.6113960000e+00  5.0338360000e+00  5.4642490000e+00
-ENERGY -1.526540966586e+02
-FORCES  3.6167000000e-03 -3.0243000000e-03  8.4840000000e-04 -9.0490000000e-04  3.2587000000e-03  1.9536000000e-03 -2.7108000000e-03 -2.3650000000e-04 -2.8032000000e-03  3.9580000000e-04  3.0511000000e-03 -3.6696000000e-03  1.3227000000e-03  4.5080000000e-04  3.6572000000e-03 -1.7196000000e-03 -3.4998000000e-03  1.3600000000e-05
-
-JOB 88
-COORDS -6.5556970000e+00  2.7717300000e+00 -3.3524020000e+00 -5.8648550000e+00  2.3198090000e+00 -2.8679060000e+00 -6.1682640000e+00  3.6129130000e+00 -3.5943500000e+00  6.4470990000e+00 -2.8216450000e+00  3.3435760000e+00  6.5646270000e+00 -1.9219010000e+00  3.0388150000e+00  7.3283880000e+00 -3.1127800000e+00  3.5776750000e+00
-ENERGY -1.526540771245e+02
-FORCES  4.4006000000e-03  1.5702000000e-03  9.9880000000e-04 -2.8188000000e-03  1.8560000000e-03 -1.9825000000e-03 -1.5810000000e-03 -3.4242000000e-03  9.8310000000e-04  4.0913000000e-03  2.4649000000e-03 -2.7530000000e-04 -4.9360000000e-04 -3.6622000000e-03  1.2353000000e-03 -3.5986000000e-03  1.1953000000e-03 -9.5930000000e-04
-
-JOB 89
-COORDS  7.9645490000e+00  3.1857820000e+00  5.2654400000e+00  7.7761770000e+00  2.4167200000e+00  4.7275820000e+00  8.9188540000e+00  3.2591800000e+00  5.2533630000e+00 -8.0207030000e+00 -3.1465650000e+00 -5.1719440000e+00 -8.5111930000e+00 -3.6803590000e+00 -5.7970170000e+00 -7.3853050000e+00 -2.6722080000e+00 -5.7081210000e+00
-ENERGY -1.526540686580e+02
-FORCES  3.1169000000e-03 -2.8420000000e-03 -2.2398000000e-03  7.7380000000e-04  3.1394000000e-03  2.1917000000e-03 -3.8909000000e-03 -2.9770000000e-04  4.7700000000e-05  5.8600000000e-04 -2.3610000000e-04 -4.7347000000e-03  2.0034000000e-03  2.1754000000e-03  2.5492000000e-03 -2.5892000000e-03 -1.9389000000e-03  2.1859000000e-03
-
-JOB 0
-COORDS -8.5157800000e-01  1.3912300000e-01  8.5984800000e-01 -1.3578710000e+00  7.4687100000e-01  1.3988660000e+00 -1.3739520000e+00 -6.6287500000e-01  8.4727500000e-01  9.7034800000e-01 -1.5755500000e-01 -8.6165700000e-01  7.0466000000e-01 -9.2416000000e-02 -1.7789350000e+00  2.3966500000e-01  2.2094300000e-01 -3.7270600000e-01
-ENERGY -1.526565982764e+02
-FORCES  8.9167000000e-03 -3.7056000000e-03 -9.3075000000e-03  1.8669000000e-03 -4.4090000000e-03 -2.7802000000e-03  8.8320000000e-04  5.5796000000e-03  8.4970000000e-04 -1.3786400000e-02  4.3466000000e-03  1.2970600000e-02 -1.7514000000e-03 -5.1600000000e-05  4.0350000000e-03  3.8710000000e-03 -1.7600000000e-03 -5.7676000000e-03
-
-JOB 1
-COORDS  1.1320170000e+00  1.8623000000e-02  6.6633500000e-01  2.2211400000e-01 -2.7427600000e-01  6.1614000000e-01  1.1812570000e+00  5.0935000000e-01  1.4866970000e+00 -1.1060470000e+00 -7.5220000000e-02 -6.6418300000e-01 -5.0610200000e-01 -3.0086000000e-02 -1.4086690000e+00 -1.4496360000e+00  8.1408000000e-01 -5.7859600000e-01
-ENERGY -1.526573498670e+02
-FORCES -1.5061100000e-02 -1.3205000000e-03 -5.4615000000e-03  8.0031000000e-03  5.8810000000e-04  4.3064000000e-03 -2.8095000000e-03 -9.3650000000e-04 -3.4379000000e-03  1.2365900000e-02  6.2588000000e-03  1.0019000000e-03 -4.2350000000e-03 -5.8480000000e-04  3.2467000000e-03  1.7366000000e-03 -4.0051000000e-03  3.4440000000e-04
-
-JOB 2
-COORDS  9.7599800000e-01  7.9810700000e-01  1.4399600000e-01  1.7380220000e+00  8.4998300000e-01 -4.3294400000e-01  4.5998800000e-01  1.5755330000e+00 -6.9485000000e-02 -1.0551600000e+00 -8.4540000000e-01 -8.9129000000e-02 -5.0898700000e-01 -6.0539000000e-02 -4.5308000000e-02 -4.7637800000e-01 -1.5211410000e+00 -4.4214100000e-01
-ENERGY -1.526530414672e+02
-FORCES -5.0133000000e-03 -5.5425000000e-03 -4.2065000000e-03 -4.1018000000e-03  5.2900000000e-05  3.2710000000e-03 -9.2340000000e-04 -9.5318000000e-03  2.7200000000e-04  1.9774200000e-02  8.0632000000e-03  1.2275000000e-03 -7.4591000000e-03  6.7068000000e-03 -6.6050000000e-04 -2.2767000000e-03  2.5150000000e-04  9.6500000000e-05
-
-JOB 3
-COORDS -1.6328600000e-01  7.7490300000e-01  1.0010820000e+00 -8.3359000000e-01  2.8885500000e-01  1.4813750000e+00  5.3081200000e-01  9.2460800000e-01  1.6429910000e+00  1.8618100000e-01 -7.2531800000e-01 -1.1231940000e+00  1.7675600000e-01 -3.3748500000e-01 -2.4813500000e-01 -1.9088100000e-01 -1.5969370000e+00 -1.0034620000e+00
-ENERGY -1.526568210242e+02
-FORCES  1.2930000000e-04 -3.4535000000e-03 -3.2412000000e-03  5.5400000000e-03  3.6380000000e-04 -4.1149000000e-03 -4.2000000000e-03 -2.1458000000e-03 -3.8840000000e-03 -1.7734000000e-03  1.0268700000e-02  1.4671500000e-02  9.4900000000e-05 -8.8604000000e-03 -5.6883000000e-03  2.0920000000e-04  3.8272000000e-03  2.2569000000e-03
-
-JOB 4
-COORDS  1.0107460000e+00  1.7185200000e-01  8.2702900000e-01  1.8390220000e+00 -2.4698600000e-01  5.9300900000e-01  9.6613000000e-01  9.4579500000e-01  2.6555500000e-01 -1.1011470000e+00 -1.4740200000e-01 -7.6593000000e-01 -3.8697200000e-01 -4.3040600000e-01 -1.9488400000e-01 -9.8517600000e-01 -6.5882600000e-01 -1.5666970000e+00
-ENERGY -1.526587773332e+02
-FORCES -1.6416000000e-03  4.2011000000e-03 -5.5382000000e-03 -5.5357000000e-03  1.4959000000e-03 -7.0300000000e-04  5.6920000000e-04 -6.4730000000e-03  2.4700000000e-03  1.0389600000e-02 -2.5810000000e-03  8.8577000000e-03 -5.7507000000e-03  1.6554000000e-03 -8.6306000000e-03  1.9691000000e-03  1.7017000000e-03  3.5441000000e-03
-
-JOB 5
-COORDS -1.0222890000e+00 -5.6843900000e-01  5.7084000000e-01 -1.2543330000e+00 -1.4335130000e+00  2.3315000000e-01 -5.3734400000e-01 -7.4745300000e-01  1.3764540000e+00  1.0188320000e+00  6.5951100000e-01 -6.6077600000e-01  2.4369200000e-01  1.5323000000e-01 -4.1773400000e-01  1.5964270000e+00  5.9398800000e-01  9.9699000000e-02
-ENERGY -1.526572416207e+02
-FORCES  5.2431000000e-03 -5.8800000000e-05  4.6870000000e-04  2.9559000000e-03  5.2872000000e-03  1.3849000000e-03 -8.2740000000e-04  1.1224000000e-03 -5.7886000000e-03 -1.3400200000e-02 -7.7974000000e-03  9.5465000000e-03  8.2194000000e-03  1.9725000000e-03 -4.4981000000e-03 -2.1908000000e-03 -5.2600000000e-04 -1.1134000000e-03
-
-JOB 6
-COORDS -5.0472000000e-01 -1.0638810000e+00 -6.7888500000e-01 -1.4560380000e+00 -1.1690860000e+00 -6.9145200000e-01 -3.6859900000e-01 -1.1819000000e-01 -6.2082700000e-01  5.4367100000e-01  9.8813600000e-01  7.3625600000e-01  1.1768360000e+00  7.4290200000e-01  6.1575000000e-02  7.9157000000e-02  1.7395430000e+00  3.6768300000e-01
-ENERGY -1.526499864709e+02
-FORCES  3.5170000000e-04  9.4208000000e-03  9.3535000000e-03  3.4347000000e-03  1.5965000000e-03  4.5840000000e-04  2.7911000000e-03  1.0540000000e-04 -7.0596000000e-03  1.8832000000e-03 -3.4670000000e-03 -2.8561000000e-03 -8.2822000000e-03  2.6180000000e-04  7.2450000000e-04 -1.7860000000e-04 -7.9175000000e-03 -6.2080000000e-04
-
-JOB 7
-COORDS -6.0761300000e-01  1.7325000000e-02 -1.2794730000e+00 -1.4267150000e+00 -4.3917300000e-01 -1.0873430000e+00 -1.0500000000e-01 -3.9281000000e-02 -4.6681800000e-01  6.3005900000e-01 -1.5785000000e-02  1.1654140000e+00  3.9900200000e-01 -4.6457700000e-01  1.9786970000e+00  7.5571200000e-01  8.9759100000e-01  1.4226830000e+00
-ENERGY -1.526602352032e+02
-FORCES  4.2048000000e-03 -2.6599000000e-03  1.3791900000e-02  2.1011000000e-03  1.0451000000e-03 -2.2180000000e-04 -2.7696000000e-03  2.6332000000e-03 -8.4318000000e-03 -3.6040000000e-03  8.5240000000e-04 -1.0377000000e-03  1.1921000000e-03  3.4189000000e-03 -3.1336000000e-03 -1.1244000000e-03 -5.2897000000e-03 -9.6700000000e-04
-
-JOB 8
-COORDS  1.4679800000e-01 -1.4296730000e+00  4.1850000000e-02  6.2193000000e-02 -4.7710600000e-01  7.2500000000e-04  1.0350610000e+00 -1.5779270000e+00  3.6626100000e-01 -1.4723600000e-01  1.3327190000e+00 -4.8574000000e-02 -2.9588400000e-01  1.7995510000e+00 -8.7089100000e-01 -7.8607400000e-01  1.7064450000e+00  5.5842400000e-01
-ENERGY -1.526619206524e+02
-FORCES  1.0657000000e-03  1.2784500000e-02  1.2520000000e-04  9.0110000000e-04 -1.0299500000e-02  7.7840000000e-04 -2.4786000000e-03  1.0467000000e-03 -8.6380000000e-04 -2.7078000000e-03 -8.0830000000e-04 -9.7690000000e-04  9.5100000000e-05 -1.4880000000e-03  4.7964000000e-03  3.1244000000e-03 -1.2355000000e-03 -3.8592000000e-03
-
-JOB 9
-COORDS  6.3605600000e-01  2.5098300000e-01 -1.2687690000e+00  2.6116500000e-01  1.0550100000e-01 -4.0013600000e-01 -7.4787000000e-02  6.4564900000e-01 -1.7739160000e+00 -5.1319300000e-01 -3.1698200000e-01  1.2382000000e+00 -1.4509570000e+00 -4.7979700000e-01  1.1366050000e+00 -4.5548400000e-01  6.0492500000e-01  1.4891760000e+00
-ENERGY -1.526588670882e+02
-FORCES -6.9467000000e-03 -3.6852000000e-03  9.9479000000e-03  3.7947000000e-03  7.0108000000e-03 -7.8920000000e-03  1.4552000000e-03 -1.2091000000e-03  2.7458000000e-03 -3.7104000000e-03  1.0792000000e-03  9.0260000000e-04  5.1589000000e-03  2.0421000000e-03 -1.5770000000e-04  2.4830000000e-04 -5.2378000000e-03 -5.5466000000e-03
-
-JOB 10
-COORDS -1.0371190000e+00 -4.5137100000e-01  9.4460300000e-01 -4.3574600000e-01 -2.2308800000e-01  1.6534540000e+00 -6.7174300000e-01 -2.0607000000e-02  1.7183200000e-01  9.1345000000e-01  4.3914500000e-01 -9.3007300000e-01  1.4218660000e+00 -1.9612800000e-01 -4.2591700000e-01  1.4947090000e+00  6.9860400000e-01 -1.6449520000e+00
-ENERGY -1.526591978814e+02
-FORCES  5.0965000000e-03  6.2052000000e-03 -4.6406000000e-03 -7.8680000000e-04 -1.9847000000e-03 -2.6093000000e-03 -2.2409000000e-03 -4.6056000000e-03  6.1717000000e-03  2.4029000000e-03 -1.6841000000e-03 -1.2713000000e-03 -3.2612000000e-03  4.2172000000e-03 -1.6321000000e-03 -1.2105000000e-03 -2.1481000000e-03  3.9816000000e-03
-
-JOB 11
-COORDS -3.9228300000e-01  2.6579000000e-01 -1.3641300000e+00  5.4995000000e-02 -9.7460000000e-03 -5.6397100000e-01  3.0777900000e-01  5.8924600000e-01 -1.9311600000e+00  3.1668000000e-01 -3.2900400000e-01  1.3229700000e+00 -2.7781800000e-01  4.0466900000e-01  1.4795850000e+00  1.1565710000e+00 -3.7217000000e-02  1.6774800000e+00
-ENERGY -1.526606253839e+02
-FORCES  5.7395000000e-03 -3.7149000000e-03  7.6528000000e-03 -3.9824000000e-03  5.7682000000e-03 -8.7082000000e-03 -1.5037000000e-03 -1.0820000000e-03  3.0406000000e-03 -5.7490000000e-04  3.8969000000e-03  3.5738000000e-03  4.6322000000e-03 -4.0835000000e-03 -2.8070000000e-03 -4.3106000000e-03 -7.8470000000e-04 -2.7520000000e-03
-
-JOB 12
-COORDS  1.1284940000e+00  8.9214800000e-01  1.3866400000e-01  5.9910500000e-01  1.3115200000e-01  3.7712700000e-01  1.5229400000e+00  1.1778290000e+00  9.6269700000e-01 -1.1323030000e+00 -8.4031400000e-01 -1.4680300000e-01 -7.8214200000e-01 -1.7116950000e+00 -3.3204600000e-01 -1.2511270000e+00 -4.4121800000e-01 -1.0086820000e+00
-ENERGY -1.526602633367e+02
-FORCES -6.7054000000e-03 -4.8383000000e-03  2.8817000000e-03  9.4139000000e-03  4.1410000000e-03 -1.2200000000e-04 -2.1819000000e-03 -2.0762000000e-03 -2.3522000000e-03 -1.2823000000e-03  6.1970000000e-04 -6.5589000000e-03  3.1260000000e-04  5.4755000000e-03  1.7692000000e-03  4.4300000000e-04 -3.3217000000e-03  4.3822000000e-03
-
-JOB 13
-COORDS -8.1462900000e-01  1.1507180000e+00 -4.5482400000e-01 -9.4953000000e-02  5.9187800000e-01 -1.6157400000e-01 -1.6012330000e+00  7.3251700000e-01 -1.0469000000e-01  8.2421600000e-01 -1.0252010000e+00  3.9948300000e-01  5.7298500000e-01 -1.4201050000e+00  1.2344470000e+00  1.0156330000e+00 -1.7701030000e+00 -1.7035200000e-01
-ENERGY -1.526604023800e+02
-FORCES  4.7100000000e-03 -1.0495800000e-02  4.3033000000e-03 -4.2200000000e-03  7.6462000000e-03 -2.1207000000e-03  1.5305000000e-03  1.5244000000e-03 -7.6190000000e-04 -1.5759000000e-03 -2.7299000000e-03 -7.2100000000e-04  5.8140000000e-04  1.3623000000e-03 -4.5901000000e-03 -1.0259000000e-03  2.6928000000e-03  3.8904000000e-03
-
-JOB 14
-COORDS  1.1707610000e+00 -4.4916800000e-01  6.4864500000e-01  9.8161300000e-01  1.7612000000e-01  1.3482650000e+00  1.9638050000e+00 -1.1117400000e-01  2.3262400000e-01 -1.1964520000e+00  4.4597900000e-01 -6.9147400000e-01 -2.0483180000e+00  6.4426000000e-02 -4.7940700000e-01 -5.6518000000e-01 -2.3911000000e-01 -4.7151800000e-01
-ENERGY -1.526606434146e+02
-FORCES  1.1253000000e-03  6.6948000000e-03  1.1315000000e-03  1.6781000000e-03 -3.6362000000e-03 -2.7815000000e-03 -3.6368000000e-03 -1.3588000000e-03  2.1536000000e-03  5.5062000000e-03 -5.7511000000e-03  3.1868000000e-03  3.7686000000e-03  8.6420000000e-04  3.9430000000e-04 -8.4414000000e-03  3.1871000000e-03 -4.0846000000e-03
-
-JOB 15
-COORDS  1.2383290000e+00 -6.1104700000e-01 -7.3560000000e-02  1.5561610000e+00 -2.1858000000e-01 -8.8669200000e-01  1.9993040000e+00 -6.0961800000e-01  5.0708300000e-01 -1.3542650000e+00  6.0111100000e-01  1.2051500000e-01 -7.4134300000e-01 -1.0159200000e-01  3.3677000000e-01 -1.0055660000e+00  9.8449600000e-01 -6.8425600000e-01
-ENERGY -1.526582370469e+02
-FORCES  2.5035000000e-03  3.4020000000e-03 -5.3620000000e-04 -1.8825000000e-03 -1.2321000000e-03  3.7949000000e-03 -3.1984000000e-03  1.5740000000e-04 -3.2511000000e-03  1.1395600000e-02 -4.2245000000e-03 -2.1863000000e-03 -7.3265000000e-03  2.0160000000e-03  1.0473000000e-03 -1.4917000000e-03 -1.1880000000e-04  1.1314000000e-03
-
-JOB 16
-COORDS  4.8133200000e-01  1.1808710000e+00 -6.6888800000e-01  1.1151450000e+00  6.8407100000e-01 -1.1862880000e+00 -3.0158500000e-01  1.2167420000e+00 -1.2184200000e+00 -4.7767400000e-01 -1.1569300000e+00  7.9139500000e-01 -3.1581800000e-01 -4.2745700000e-01  1.9314500000e-01 -5.4510200000e-01 -1.9236100000e+00  2.2228300000e-01
-ENERGY -1.526576145342e+02
-FORCES  2.4954000000e-03  1.6212000000e-03 -4.7093000000e-03 -5.1492000000e-03  1.0248000000e-03  3.2453000000e-03  3.7611000000e-03 -4.0124000000e-03  5.0677000000e-03  3.2536000000e-03  6.6723000000e-03 -5.1050000000e-03 -5.2837000000e-03 -9.2349000000e-03  7.4560000000e-04  9.2280000000e-04  3.9290000000e-03  7.5570000000e-04
-
-JOB 17
-COORDS -6.9448600000e-01 -1.0438220000e+00 -5.7636300000e-01 -3.4510200000e-01 -1.9134250000e+00 -3.8154700000e-01 -1.3535100000e+00 -1.1961700000e+00 -1.2536440000e+00  7.2694000000e-01  1.1332200000e+00  5.5060500000e-01  1.0072500000e+00  1.2949670000e+00  1.4514360000e+00  1.3897700000e-01  3.8052500000e-01  6.1370500000e-01
-ENERGY -1.526587978634e+02
-FORCES -4.7720000000e-04 -1.1024000000e-03 -3.6425000000e-03 -1.9694000000e-03  4.3430000000e-03 -1.4450000000e-04  3.2672000000e-03 -9.3250000000e-04  2.7365000000e-03 -4.7266000000e-03 -5.5270000000e-03 -1.2090000000e-03 -1.4885000000e-03 -2.1096000000e-03 -3.2628000000e-03  5.3945000000e-03  5.3285000000e-03  5.5223000000e-03
-
-JOB 18
-COORDS -9.8298800000e-01  1.0179500000e+00  4.0436200000e-01 -1.9084300000e+00  8.1656400000e-01  2.6568600000e-01 -5.1555400000e-01  2.7968400000e-01  1.3593000000e-02  1.0333200000e+00 -9.0438800000e-01 -4.1004000000e-01  1.2508090000e+00 -1.1417810000e+00  4.9138900000e-01  4.7082600000e-01 -1.6156740000e+00 -7.1648000000e-01
-ENERGY -1.526590126183e+02
-FORCES  4.9988000000e-03 -5.7302000000e-03 -4.4690000000e-03  4.0448000000e-03 -9.7380000000e-04 -1.4130000000e-04 -9.6837000000e-03  3.6803000000e-03  4.1572000000e-03  2.8614000000e-03 -4.4134000000e-03  3.0402000000e-03 -2.5004000000e-03  1.2367000000e-03 -5.2322000000e-03  2.7920000000e-04  6.2004000000e-03  2.6451000000e-03
-
-JOB 19
-COORDS -6.3500000000e-01 -1.2664960000e+00 -3.0584000000e-01 -1.5279400000e+00 -1.4580150000e+00 -1.9117000000e-02 -7.2501200000e-01 -5.0487700000e-01 -8.7861100000e-01  6.7461500000e-01  1.2903300000e+00  2.8815900000e-01  1.4381030000e+00  1.0276050000e+00  8.0225400000e-01  6.7316000000e-02  5.5469600000e-01  3.6728700000e-01
-ENERGY -1.526572289722e+02
-FORCES -3.5583000000e-03 -2.8060000000e-04 -4.4007000000e-03  4.8751000000e-03  2.1218000000e-03 -9.9910000000e-04  1.6164000000e-03 -8.7660000000e-04  9.3991000000e-03  5.9060000000e-04 -9.4579000000e-03  3.5703000000e-03 -2.4245000000e-03  1.8099000000e-03 -1.4660000000e-03 -1.0993000000e-03  6.6834000000e-03 -6.1037000000e-03
-
-JOB 20
-COORDS -1.3354930000e+00 -4.5749100000e-01  5.3036900000e-01 -1.5818940000e+00 -1.0767900000e+00 -1.5664400000e-01 -4.5714100000e-01 -1.6550000000e-01  2.8650100000e-01  1.2256850000e+00  4.4550400000e-01 -4.9039000000e-01  1.4923600000e+00  1.3646870000e+00 -4.7556600000e-01  2.0148400000e+00 -3.7322000000e-02 -2.4473700000e-01
-ENERGY -1.526619190434e+02
-FORCES  8.5399000000e-03  1.8975000000e-03 -6.1923000000e-03  7.6800000000e-04  1.4693000000e-03  2.1647000000e-03 -8.4711000000e-03 -3.6425000000e-03  4.3767000000e-03  3.1643000000e-03  2.3676000000e-03  8.9710000000e-04 -1.2250000000e-04 -4.9019000000e-03 -6.9000000000e-06 -3.8786000000e-03  2.8100000000e-03 -1.2392000000e-03
-
-JOB 21
-COORDS  1.3896280000e+00  1.4093000000e-01 -5.0358200000e-01  1.3250040000e+00 -8.0295700000e-01 -3.5821300000e-01  1.4882570000e+00  5.1255300000e-01  3.7300300000e-01 -1.4541480000e+00 -1.1789600000e-01  4.2951900000e-01 -1.0960460000e+00  4.7086800000e-01  1.0938630000e+00 -6.9540500000e-01 -6.0220800000e-01  1.0396900000e-01
-ENERGY -1.526509224637e+02
-FORCES  8.5160000000e-04 -8.1140000000e-04  4.0617000000e-03 -4.9445000000e-03  5.1467000000e-03  1.3060000000e-04 -2.4397000000e-03 -2.1030000000e-03 -3.6534000000e-03  9.0861000000e-03  3.7337000000e-03 -2.4167000000e-03 -1.0067000000e-03 -2.3460000000e-03 -1.2178000000e-03 -1.5469000000e-03 -3.6200000000e-03  3.0957000000e-03
-
-JOB 22
-COORDS -5.1851600000e-01 -3.3518100000e-01 -1.2809280000e+00 -1.4104290000e+00 -3.8070600000e-01 -9.3647000000e-01 -4.9983200000e-01 -9.8327800000e-01 -1.9850960000e+00  6.0359200000e-01  3.4781400000e-01  1.3506380000e+00  3.1424100000e-01  1.2590390000e+00  1.3039780000e+00  2.5983300000e-01 -5.4287000000e-02  5.5290600000e-01
-ENERGY -1.526600381058e+02
-FORCES -2.2066000000e-03 -3.1905000000e-03 -3.4267000000e-03  6.0844000000e-03  3.7630000000e-04 -4.9100000000e-05 -1.4334000000e-03  3.3089000000e-03  3.0771000000e-03 -2.0067000000e-03  6.2650000000e-04 -9.5813000000e-03  1.8030000000e-04 -2.9553000000e-03  6.9030000000e-04 -6.1800000000e-04  1.8341000000e-03  9.2896000000e-03
-
-JOB 23
-COORDS -6.1916000000e-02 -6.2155600000e-01 -1.3006390000e+00 -1.2143800000e-01  1.5721400000e-01 -1.8539990000e+00  8.0967600000e-01 -9.7553600000e-01 -1.4774360000e+00 -5.8270000000e-03  5.5998800000e-01  1.3898690000e+00  5.3341000000e-02  3.7183200000e-01  4.5321100000e-01  3.2195300000e-01  1.4551830000e+00  1.4759980000e+00
-ENERGY -1.526593865676e+02
-FORCES  2.5068000000e-03 -1.9761000000e-03 -5.1661000000e-03  1.2577000000e-03 -2.8017000000e-03  5.6084000000e-03 -4.4991000000e-03  3.0034000000e-03  1.1262000000e-03  3.7900000000e-05 -2.1756000000e-03 -8.0749000000e-03  1.6879000000e-03  7.2377000000e-03  8.5006000000e-03 -9.9110000000e-04 -3.2876000000e-03 -1.9942000000e-03
-
-JOB 24
-COORDS  1.1641050000e+00  6.3880800000e-01 -4.8972700000e-01  1.1726180000e+00  1.1330190000e+00 -1.3094310000e+00  1.9042890000e+00  9.8642700000e-01  7.7870000000e-03 -1.2785250000e+00 -6.8495400000e-01  5.2252800000e-01 -8.6466900000e-01 -7.0673300000e-01 -3.4030500000e-01 -5.4688700000e-01 -6.5236600000e-01  1.1388680000e+00
-ENERGY -1.526567041437e+02
-FORCES  1.4970000000e-03  3.9424000000e-03 -3.7390000000e-04 -1.7040000000e-04 -2.7887000000e-03  3.5130000000e-03 -3.5386000000e-03 -1.5778000000e-03 -1.9093000000e-03  1.0661100000e-02  4.0921000000e-03 -2.8867000000e-03 -4.9087000000e-03 -2.0676000000e-03  5.0720000000e-04 -3.5404000000e-03 -1.6005000000e-03  1.1497000000e-03
-
-JOB 25
-COORDS -8.3889500000e-01  5.5762900000e-01 -1.0416950000e+00 -5.3230600000e-01  1.0568620000e+00 -1.7986630000e+00 -1.1204780000e+00  1.2227840000e+00 -4.1359300000e-01  8.2517800000e-01 -6.3153200000e-01  1.1144180000e+00  1.7918000000e-01 -7.1388100000e-01  4.1289300000e-01  1.6328740000e+00 -3.7702200000e-01  6.6822900000e-01
-ENERGY -1.526596167304e+02
-FORCES  7.8360000000e-04  5.4569000000e-03  3.8940000000e-04 -1.1765000000e-03 -1.5762000000e-03  3.7432000000e-03  1.1812000000e-03 -3.3029000000e-03 -3.6957000000e-03 -1.8927000000e-03  2.6088000000e-03 -9.6836000000e-03  2.7516000000e-03 -2.4616000000e-03  7.0108000000e-03 -1.6472000000e-03 -7.2490000000e-04  2.2359000000e-03
-
-JOB 26
-COORDS -1.0663800000e+00 -2.7314500000e-01  9.6894400000e-01 -1.3353370000e+00  5.1992800000e-01  1.4325490000e+00 -1.7556750000e+00 -4.1761100000e-01  3.2069000000e-01  1.1322350000e+00  2.7871800000e-01 -1.0128860000e+00  1.2617100000e+00  4.5936300000e-01 -8.1846000000e-02  8.7426500000e-01 -6.4250500000e-01 -1.0450010000e+00
-ENERGY -1.526559300446e+02
-FORCES -3.4947000000e-03  4.1385000000e-03 -3.7173000000e-03  1.7642000000e-03 -3.2501000000e-03 -1.7529000000e-03  2.6287000000e-03 -3.8440000000e-04  3.1655000000e-03 -5.3582000000e-03 -4.4687000000e-03  8.5528000000e-03  2.9117000000e-03  1.5934000000e-03 -3.6577000000e-03  1.5484000000e-03  2.3713000000e-03 -2.5904000000e-03
-
-JOB 27
-COORDS -7.9933500000e-01 -8.5439400000e-01 -1.0275170000e+00 -1.1279200000e-01 -5.8722300000e-01 -1.6386730000e+00 -6.2876900000e-01 -3.4307200000e-01 -2.3651200000e-01  7.4577900000e-01  8.4071500000e-01  9.5984800000e-01  1.4115000000e+00  2.0631700000e-01  1.2255280000e+00  1.6719100000e-01  9.1354500000e-01  1.7189030000e+00
-ENERGY -1.526595103979e+02
-FORCES  6.8783000000e-03  7.6819000000e-03  3.4649000000e-03 -2.2582000000e-03 -2.2786000000e-03  7.1590000000e-04 -5.7498000000e-03 -5.5947000000e-03 -2.4926000000e-03  3.1923000000e-03 -9.3500000000e-04  5.1181000000e-03 -3.8493000000e-03  3.0691000000e-03 -1.5955000000e-03  1.7869000000e-03 -1.9428000000e-03 -5.2109000000e-03
-
-JOB 28
-COORDS  1.4585020000e+00  3.2085900000e-01 -3.9769100000e-01  1.3431020000e+00  1.1806250000e+00 -8.0231200000e-01  5.9032800000e-01 -8.0511000000e-02 -4.3521300000e-01 -1.3832750000e+00 -3.9601100000e-01  4.6977500000e-01 -1.6517450000e+00 -5.3564700000e-01 -4.3833100000e-01 -1.3968580000e+00  5.5465800000e-01  5.8057200000e-01
-ENERGY -1.526559639627e+02
-FORCES -6.7392000000e-03 -9.8200000000e-04  9.7490000000e-04 -9.6140000000e-04 -3.2349000000e-03  2.0560000000e-03  5.5455000000e-03  3.9269000000e-03 -5.0548000000e-03 -4.3942000000e-03  3.7969000000e-03  3.3780000000e-04  5.3360000000e-03  1.4746000000e-03  4.0600000000e-03  1.2134000000e-03 -4.9815000000e-03 -2.3738000000e-03
-
-JOB 29
-COORDS -1.5407800000e-01  5.7354600000e-01  1.3887720000e+00 -5.8200700000e-01  1.4021150000e+00  1.6046050000e+00  4.8114900000e-01  8.0121900000e-01  7.0988800000e-01  2.0369000000e-01 -6.5663800000e-01 -1.3864100000e+00 -3.4043200000e-01  1.0859200000e-01 -1.5723840000e+00 -2.9604000000e-01 -1.1550180000e+00 -7.3978800000e-01
-ENERGY -1.526579185859e+02
-FORCES  3.2419000000e-03  3.2528000000e-03 -2.2671000000e-03  1.6531000000e-03 -3.4494000000e-03 -2.2358000000e-03 -4.5471000000e-03  1.0873000000e-03  4.3246000000e-03 -6.9288000000e-03 -3.6610000000e-04  3.8738000000e-03  3.7166000000e-03 -1.5643000000e-03  9.4840000000e-04  2.8642000000e-03  1.0397000000e-03 -4.6439000000e-03
-
-JOB 30
-COORDS -1.1961260000e+00 -2.6786000000e-02  9.3471600000e-01 -9.3682900000e-01 -1.8685900000e-01  2.7316000000e-02 -2.1331700000e+00  1.6262200000e-01  8.8669300000e-01  1.2009050000e+00  7.5135000000e-02 -8.8522500000e-01  2.0297060000e+00 -3.0351000000e-02 -4.1811400000e-01  1.0205130000e+00 -7.9025700000e-01 -1.2523600000e+00
-ENERGY -1.526558063162e+02
-FORCES  1.3768000000e-03  1.7916000000e-03 -5.2314000000e-03 -5.5755000000e-03 -3.2034000000e-03  3.1965000000e-03  4.1050000000e-03 -6.2110000000e-04 -5.4460000000e-04  5.1550000000e-03 -2.6589000000e-03  3.2433000000e-03 -2.7607000000e-03  1.8260000000e-04 -3.3661000000e-03 -2.3006000000e-03  4.5092000000e-03  2.7024000000e-03
-
-JOB 31
-COORDS -2.5517700000e-01  9.0194400000e-01 -1.1147320000e+00 -8.3639000000e-02  1.8435120000e+00 -1.0987310000e+00 -3.9655700000e-01  6.9944600000e-01 -2.0395230000e+00  2.8741900000e-01 -9.3811900000e-01  1.2197470000e+00 -1.2720600000e-01 -1.7093380000e+00  8.3304500000e-01  9.9831000000e-02 -2.3029900000e-01  6.0327800000e-01
-ENERGY -1.526607394797e+02
-FORCES  4.5450000000e-04  1.9415000000e-03 -4.2063000000e-03 -8.5350000000e-04 -4.4913000000e-03 -5.8570000000e-04  4.4500000000e-04  1.9668000000e-03  3.7540000000e-03 -3.1890000000e-03  2.9336000000e-03 -8.3234000000e-03  1.4156000000e-03  1.7018000000e-03  1.4159000000e-03  1.7274000000e-03 -4.0525000000e-03  7.9454000000e-03
-
-JOB 32
-COORDS -1.3648090000e+00  4.1473400000e-01 -6.7235600000e-01 -5.5678300000e-01  1.1477000000e-02 -3.5500800000e-01 -1.3874550000e+00  1.2726350000e+00 -2.4841500000e-01  1.3284210000e+00 -3.8076500000e-01  6.3595200000e-01  1.4117980000e+00 -9.0637800000e-01 -1.5966800000e-01  1.0511440000e+00 -1.0040710000e+00  1.3073970000e+00
-ENERGY -1.526588581353e+02
-FORCES  7.5143000000e-03  2.5538000000e-03  5.9189000000e-03 -5.9926000000e-03 -2.1248000000e-03 -5.6429000000e-03 -1.2292000000e-03 -2.5765000000e-03 -1.7560000000e-03  3.4329000000e-03 -5.4389000000e-03  1.7155000000e-03 -4.2755000000e-03  4.0964000000e-03  3.9728000000e-03  5.5000000000e-04  3.4900000000e-03 -4.2083000000e-03
-
-JOB 33
-COORDS  3.3094900000e-01 -1.5176640000e+00 -1.5555000000e-01 -5.8679500000e-01 -1.2679590000e+00 -4.7732000000e-02  7.3203600000e-01 -1.3299000000e+00  6.9304100000e-01 -3.3673300000e-01  1.5325910000e+00  6.8498000000e-02 -1.6986900000e-01  1.5696990000e+00  1.0103100000e+00  1.5558400000e-01  7.6889800000e-01 -2.3254600000e-01
-ENERGY -1.526571095038e+02
-FORCES -3.9800000000e-03 -2.0420000000e-03  4.9030000000e-03  6.3756000000e-03  3.7690000000e-04 -9.3470000000e-04 -1.7746000000e-03  1.8321000000e-03 -4.8200000000e-03  4.8514000000e-03 -3.8786000000e-03  6.6710000000e-04 -8.7460000000e-04 -1.5823000000e-03 -3.5535000000e-03 -4.5979000000e-03  5.2939000000e-03  3.7382000000e-03
-
-JOB 34
-COORDS -1.2281130000e+00  5.0349000000e-01  8.1103200000e-01 -6.3284000000e-01  2.3454100000e-01  1.1135400000e-01 -1.8292160000e+00 -2.3460300000e-01  9.1165700000e-01  1.1737320000e+00 -4.8519400000e-01 -7.7118700000e-01  1.7919790000e+00 -1.1317900000e-01 -1.4221300000e-01  1.5325520000e+00 -2.5157800000e-01 -1.6272850000e+00
-ENERGY -1.526616077509e+02
-FORCES  3.3721000000e-03 -5.5017000000e-03 -5.1026000000e-03 -6.7320000000e-03  4.0032000000e-03  6.0425000000e-03  1.8455000000e-03  2.4254000000e-03 -3.3840000000e-04  6.0702000000e-03  1.5245000000e-03 -1.0126000000e-03 -3.3059000000e-03 -1.5033000000e-03 -3.9018000000e-03 -1.2499000000e-03 -9.4810000000e-04  4.3128000000e-03
-
-JOB 35
-COORDS  1.1523710000e+00 -2.1869200000e-01  8.9797000000e-01  1.1542200000e+00 -8.9554200000e-01  1.5748020000e+00  1.7158260000e+00  4.7169000000e-01  1.2474330000e+00 -1.1775980000e+00  2.0931700000e-01 -1.0212220000e+00 -6.4152800000e-01 -1.9764100000e-01 -3.4060000000e-01 -1.8332020000e+00  7.1445300000e-01 -5.4033500000e-01
-ENERGY -1.526594586805e+02
-FORCES  4.4537000000e-03  2.3750000000e-03  3.2435000000e-03 -9.9810000000e-04  3.4711000000e-03 -3.3688000000e-03 -2.0319000000e-03 -3.9606000000e-03 -3.4720000000e-04  4.1902000000e-03  2.5290000000e-04  6.8752000000e-03 -7.7114000000e-03 -5.9520000000e-04 -4.8560000000e-03  2.0974000000e-03 -1.5432000000e-03 -1.5466000000e-03
-
-JOB 36
-COORDS  7.6885900000e-01 -7.5544200000e-01  1.0577940000e+00  6.3871400000e-01 -1.6766580000e+00  8.3272500000e-01  1.7009230000e+00 -6.0035600000e-01  9.0470200000e-01 -8.7326500000e-01  7.8243000000e-01 -1.0435580000e+00 -4.4978100000e-01  1.5851940000e+00 -1.3476350000e+00 -1.7896000000e-01  3.0001800000e-01 -5.9472600000e-01
-ENERGY -1.526592894009e+02
-FORCES  3.5423000000e-03 -5.3272000000e-03  2.7416000000e-03  9.3280000000e-04  5.3499000000e-03  2.1150000000e-04 -5.4475000000e-03  6.8000000000e-05 -8.6590000000e-04  5.4845000000e-03 -1.0200000000e-03  5.2729000000e-03 -7.7030000000e-04 -3.0117000000e-03  1.2834000000e-03 -3.7419000000e-03  3.9409000000e-03 -8.6435000000e-03
-
-JOB 37
-COORDS  1.4837430000e+00  2.8006000000e-02  3.9939400000e-01  1.0086220000e+00 -7.9663600000e-01  5.0165800000e-01  1.7479290000e+00  2.6461300000e-01  1.2884690000e+00 -1.5295890000e+00 -1.3013000000e-02 -4.5345000000e-01 -1.2650110000e+00  7.3786200000e-01 -9.8488000000e-01 -7.1049200000e-01 -3.5195600000e-01 -9.2299000000e-02
-ENERGY -1.526534756817e+02
-FORCES  1.3066000000e-03 -1.9791000000e-03  5.8303000000e-03 -4.3257000000e-03  6.5839000000e-03 -2.8748000000e-03 -9.8140000000e-04 -1.3022000000e-03 -4.5577000000e-03  8.1514000000e-03  5.1051000000e-03 -7.7200000000e-04 -3.2106000000e-03 -2.6743000000e-03  1.1563000000e-03 -9.4030000000e-04 -5.7334000000e-03  1.2179000000e-03
-
-JOB 38
-COORDS -9.8434400000e-01 -9.6035400000e-01 -7.4838000000e-01 -1.7360640000e+00 -1.3138810000e+00 -2.7280900000e-01 -4.1053600000e-01 -6.1244600000e-01 -6.5785000000e-02  9.8113000000e-01  1.0278570000e+00  6.6177700000e-01  1.4192000000e+00  3.8545400000e-01  1.0352600000e-01  8.3517100000e-01  5.6765800000e-01  1.4883030000e+00
-ENERGY -1.526543548448e+02
-FORCES -7.0630000000e-04  3.8570000000e-03  5.0475000000e-03  3.3201000000e-03  1.6094000000e-03 -1.3355000000e-03  4.1160000000e-04 -6.4395000000e-03 -2.3331000000e-03  4.7123000000e-03 -1.1236000000e-03  1.0156000000e-03 -5.9429000000e-03  1.5298000000e-03  3.6331000000e-03 -1.7949000000e-03  5.6690000000e-04 -6.0276000000e-03
-
-JOB 39
-COORDS -7.2237200000e-01  1.0601970000e+00 -8.9759300000e-01 -4.1944200000e-01  2.1835600000e-01 -5.5734600000e-01 -9.4848600000e-01  8.8269200000e-01 -1.8106080000e+00  6.7195100000e-01 -1.0267170000e+00  8.9903200000e-01  1.5692120000e+00 -8.1454000000e-01  6.4186300000e-01  6.0666400000e-01 -7.3222900000e-01  1.8074620000e+00
-ENERGY -1.526610131726e+02
-FORCES  1.1418000000e-03 -6.3885000000e-03  1.2894000000e-03 -3.1175000000e-03  7.1461000000e-03 -6.6621000000e-03  1.3970000000e-03 -3.0000000000e-05  3.3428000000e-03  4.2615000000e-03  1.9846000000e-03  5.4189000000e-03 -4.7795000000e-03 -8.8980000000e-04  6.7690000000e-04  1.0967000000e-03 -1.8224000000e-03 -4.0658000000e-03
-
-JOB 40
-COORDS -8.2451600000e-01  1.2634490000e+00  8.1580000000e-03 -1.4471110000e+00  1.3938660000e+00  7.2341900000e-01 -1.3698710000e+00  1.1979130000e+00 -7.7575800000e-01  9.0684900000e-01 -1.3321980000e+00 -1.5348000000e-02  3.1700700000e-01 -8.2030200000e-01 -5.6877500000e-01  1.1446820000e+00 -7.3768700000e-01  6.9614500000e-01
-ENERGY -1.526577329400e+02
-FORCES -5.6562000000e-03  1.2072000000e-03  1.0045000000e-03  2.9204000000e-03 -2.3840000000e-04 -3.3549000000e-03  3.4303000000e-03 -1.3754000000e-03  3.5008000000e-03 -3.7391000000e-03  9.4440000000e-03  1.6463000000e-03  1.9106000000e-03 -5.0223000000e-03 -1.9850000000e-03  1.1340000000e-03 -4.0151000000e-03 -8.1170000000e-04
-
-JOB 41
-COORDS -3.2918000000e-02  2.4597200000e-01 -1.5463840000e+00  2.9840000000e-01  9.2969200000e-01 -2.1286090000e+00  1.1419900000e-01  5.8921600000e-01 -6.6503800000e-01  1.8182000000e-02 -2.4227500000e-01  1.5256370000e+00  5.8752000000e-01 -9.6050700000e-01  1.8017330000e+00 -7.9640600000e-01 -6.6979500000e-01  1.2612440000e+00
-ENERGY -1.526601612781e+02
-FORCES  2.5014000000e-03  3.3182000000e-03  3.9932000000e-03 -8.0410000000e-04 -2.3314000000e-03  2.7733000000e-03 -2.3440000000e-03  2.0430000000e-04 -8.5503000000e-03 -7.3420000000e-04 -6.9864000000e-03  1.0952000000e-03 -2.8420000000e-03  2.9558000000e-03 -5.0750000000e-04  4.2229000000e-03  2.8396000000e-03  1.1962000000e-03
-
-JOB 42
-COORDS -1.3761830000e+00 -4.8954400000e-01 -6.9457500000e-01 -1.1065960000e+00 -1.0179600000e+00  5.6644000000e-02 -1.9790010000e+00  1.5775200000e-01 -3.2872000000e-01  1.3816040000e+00  4.3434300000e-01  6.5701500000e-01  1.0250450000e+00  6.6147400000e-01 -2.0176800000e-01  1.9949170000e+00  1.1415370000e+00  8.5690100000e-01
-ENERGY -1.526587229991e+02
-FORCES -1.9055000000e-03 -8.5180000000e-04  6.3912000000e-03 -2.3788000000e-03  1.9370000000e-03 -4.3257000000e-03  2.5991000000e-03 -2.2406000000e-03 -1.9823000000e-03  3.7760000000e-04  3.0227000000e-03 -4.0474000000e-03  4.2400000000e-03  5.4510000000e-04  5.1709000000e-03 -2.9324000000e-03 -2.4123000000e-03 -1.2067000000e-03
-
-JOB 43
-COORDS -9.6462500000e-01 -1.2920020000e+00  4.2720100000e-01 -7.0570800000e-01 -6.9332800000e-01 -2.7335900000e-01 -1.1687630000e+00 -7.2087400000e-01  1.1677230000e+00  9.7555700000e-01  1.1692480000e+00 -4.3243500000e-01  3.9721700000e-01  1.6943370000e+00 -9.8564100000e-01  1.3062830000e+00  1.7850220000e+00  2.2153400000e-01
-ENERGY -1.526564563107e+02
-FORCES  4.2130000000e-03  7.2448000000e-03 -1.1480000000e-04 -5.1056000000e-03 -3.8985000000e-03  6.4410000000e-04 -4.6360000000e-04 -2.5562000000e-03 -1.8302000000e-03  1.8850000000e-03  5.7029000000e-03  1.3164000000e-03  1.2599000000e-03 -4.1225000000e-03  3.1449000000e-03 -1.7886000000e-03 -2.3706000000e-03 -3.1603000000e-03
-
-JOB 44
-COORDS -1.5577090000e+00  4.5625800000e-01 -3.8210600000e-01 -6.4824800000e-01  6.5601400000e-01 -1.6027000000e-01 -2.0738710000e+00  9.4111700000e-01  2.6188100000e-01  1.5142830000e+00 -5.0128000000e-01  2.7194600000e-01  2.3771270000e+00 -3.1322500000e-01  6.4122500000e-01  9.3110400000e-01 -5.3598100000e-01  1.0301880000e+00
-ENERGY -1.526563006920e+02
-FORCES  2.9583000000e-03  3.0603000000e-03  9.9140000000e-04 -7.0411000000e-03 -6.5540000000e-04  2.0871000000e-03  2.7275000000e-03 -2.3842000000e-03 -2.0195000000e-03  3.4314000000e-03 -2.1616000000e-03  4.8330000000e-03 -4.1206000000e-03 -1.0730000000e-03 -1.3922000000e-03  2.0446000000e-03  3.2139000000e-03 -4.4999000000e-03
-
-JOB 45
-COORDS  1.4190490000e+00  3.5631800000e-01 -7.5442200000e-01  1.1172440000e+00  8.1308800000e-01 -1.5396010000e+00  1.3931750000e+00 -5.7076500000e-01 -9.9123200000e-01 -1.4026730000e+00 -3.8925900000e-01  8.3174300000e-01 -8.2546500000e-01  3.1326800000e-01  1.1309400000e+00 -1.9441400000e+00  1.6886000000e-02  1.5491900000e-01
-ENERGY -1.526560955287e+02
-FORCES -1.7774000000e-03 -4.0393000000e-03 -4.1094000000e-03  5.7010000000e-04 -1.5428000000e-03  3.5325000000e-03  1.3433000000e-03  4.3831000000e-03 -8.9000000000e-06  3.0372000000e-03  5.7422000000e-03 -2.2187000000e-03 -4.8152000000e-03 -2.7058000000e-03  6.2990000000e-04  1.6419000000e-03 -1.8375000000e-03  2.1745000000e-03
-
-JOB 46
-COORDS  4.6569700000e-01  1.4080490000e+00  7.9029800000e-01  1.1815400000e+00  1.9869500000e+00  5.2824000000e-01  8.0744300000e-01  5.2504300000e-01  6.4978800000e-01 -5.4739400000e-01 -1.3253820000e+00 -7.7789200000e-01  2.8425400000e-01 -1.6570460000e+00 -4.3937600000e-01 -1.0673460000e+00 -2.1107230000e+00 -9.4854300000e-01
-ENERGY -1.526523457156e+02
-FORCES  2.6622000000e-03 -2.1812000000e-03 -3.1030000000e-03 -2.9665000000e-03 -2.4643000000e-03  1.0715000000e-03  1.1602000000e-03  2.7094000000e-03  1.7293000000e-03 -4.5080000000e-04 -5.6259000000e-03  5.3000000000e-05 -2.7172000000e-03  4.0065000000e-03 -2.0580000000e-04  2.3122000000e-03  3.5555000000e-03  4.5510000000e-04
-
-JOB 47
-COORDS -5.6623000000e-02 -3.8959600000e-01 -1.6482770000e+00  1.9252700000e-01 -8.9237300000e-01 -8.7279500000e-01  5.9716000000e-01 -6.2442700000e-01 -2.3068010000e+00 -4.7814000000e-02  4.0554800000e-01  1.6912390000e+00  4.4364600000e-01 -8.5793000000e-02  1.0329970000e+00  2.7571000000e-01  1.3029190000e+00  1.6119370000e+00
-ENERGY -1.526518204354e+02
-FORCES  2.3574000000e-03 -4.2809000000e-03 -9.6870000000e-04  1.0714000000e-03  4.3854000000e-03 -2.6830000000e-04 -3.0117000000e-03  1.4446000000e-03  3.2736000000e-03  2.9688000000e-03  4.0238000000e-03 -4.4825000000e-03 -2.2457000000e-03 -1.7984000000e-03  8.5150000000e-04 -1.1401000000e-03 -3.7745000000e-03  1.5945000000e-03
-
-JOB 48
-COORDS  8.4172500000e-01  1.1363600000e+00  9.9787300000e-01  1.1369380000e+00  1.0974960000e+00  1.9075820000e+00  1.1715370000e+00  3.2878000000e-01  6.0382800000e-01 -9.3689900000e-01 -1.0978330000e+00 -9.9588300000e-01 -2.9854700000e-01 -1.6826430000e+00 -1.4042170000e+00 -6.0006300000e-01 -2.1824600000e-01 -1.1664680000e+00
-ENERGY -1.526549833435e+02
-FORCES  1.6681000000e-03 -4.3530000000e-03  3.8890000000e-03 -7.6710000000e-04  2.3260000000e-04 -3.7469000000e-03 -7.3740000000e-04  4.4328000000e-03 -1.3890000000e-04  1.7441000000e-03  2.3664000000e-03 -2.9895000000e-03 -1.8626000000e-03  2.8447000000e-03  2.7471000000e-03 -4.5000000000e-05 -5.5235000000e-03  2.3910000000e-04
-
-JOB 49
-COORDS  1.7435400000e+00  2.8772100000e-01  3.6407800000e-01  1.3715220000e+00 -5.9406200000e-01  3.4693000000e-01  1.0666260000e+00  8.4138800000e-01 -2.5116000000e-02 -1.6561490000e+00 -3.1232300000e-01 -3.8001100000e-01 -1.6666150000e+00 -3.2365200000e-01  5.7706500000e-01 -2.1417060000e+00  4.7811000000e-01 -6.1598300000e-01
-ENERGY -1.526569062481e+02
-FORCES -5.7497000000e-03 -2.2652000000e-03 -3.8114000000e-03  2.6152000000e-03  2.9838000000e-03  1.8652000000e-03  3.8699000000e-03 -1.3840000000e-04  2.6964000000e-03 -4.7874000000e-03  2.4790000000e-03  2.7425000000e-03  1.2134000000e-03  1.3630000000e-04 -4.7157000000e-03  2.8387000000e-03 -3.1956000000e-03  1.2229000000e-03
-
-JOB 50
-COORDS  8.7969100000e-01  1.4388160000e+00  6.7681900000e-01  9.3513000000e-02  1.2502770000e+00  1.1892730000e+00  5.5703900000e-01  1.5861360000e+00 -2.1223900000e-01 -8.0394600000e-01 -1.4935280000e+00 -6.2122300000e-01 -1.3696790000e+00 -1.3934920000e+00 -1.3868410000e+00 -4.6796500000e-01 -6.1289600000e-01 -4.5438400000e-01
-ENERGY -1.526537540179e+02
-FORCES -3.1686000000e-03  2.8234000000e-03  4.3950000000e-04  3.6954000000e-03 -1.3850000000e-04 -4.0958000000e-03  4.6030000000e-04 -3.4042000000e-03  4.0138000000e-03  3.8080000000e-04  3.1315000000e-03 -2.2896000000e-03  2.6013000000e-03  1.6890000000e-04  3.3975000000e-03 -3.9693000000e-03 -2.5811000000e-03 -1.4654000000e-03
-
-JOB 51
-COORDS  7.6022100000e-01 -1.2614200000e+00 -1.0383120000e+00  2.3330700000e-01 -1.5985300000e+00 -1.7628460000e+00  7.6566200000e-01 -3.1286600000e-01 -1.1665580000e+00 -7.4375900000e-01  1.2887090000e+00  1.0957570000e+00  1.2072700000e-01  8.8008800000e-01  1.1396410000e+00 -1.3414940000e+00  5.6582000000e-01  9.0503500000e-01
-ENERGY -1.526564014905e+02
-FORCES -1.6341000000e-03  2.0832000000e-03 -5.3404000000e-03  2.0756000000e-03  1.4238000000e-03  3.2322000000e-03  1.4460000000e-04 -4.6183000000e-03  2.0743000000e-03  7.9430000000e-04 -6.1387000000e-03  1.1589000000e-03 -3.1182000000e-03  3.2421000000e-03 -1.4859000000e-03  1.7378000000e-03  4.0079000000e-03  3.6080000000e-04
-
-JOB 52
-COORDS  1.0072290000e+00  1.1529440000e+00  1.0406560000e+00  1.7892900000e-01  9.0516700000e-01  1.4514560000e+00  1.5481730000e+00  3.6527200000e-01  1.0970850000e+00 -1.0113940000e+00 -1.1035000000e+00 -1.1321070000e+00 -3.4161200000e-01 -1.5389110000e+00 -6.0481200000e-01 -1.3041530000e+00 -3.7049000000e-01 -5.9060800000e-01
-ENERGY -1.526529256273e+02
-FORCES  2.9610000000e-04 -3.2977000000e-03  2.6222000000e-03  2.7774000000e-03  2.4760000000e-04 -3.2365000000e-03 -3.0684000000e-03  2.9080000000e-03 -4.3730000000e-04  2.4728000000e-03  2.6328000000e-03  3.6051000000e-03 -2.7328000000e-03  1.3578000000e-03 -1.4457000000e-03  2.5500000000e-04 -3.8485000000e-03 -1.1078000000e-03
-
-JOB 53
-COORDS -7.9877900000e-01  1.1969460000e+00 -1.0064490000e+00 -1.6131870000e+00  1.3678510000e+00 -5.3341300000e-01 -7.6308600000e-01  1.8790380000e+00 -1.6770520000e+00  7.8036700000e-01 -1.2533970000e+00  1.0400610000e+00  1.0727550000e+00 -9.9124900000e-01  1.6712400000e-01  1.5892210000e+00 -1.4183210000e+00  1.5246100000e+00
-ENERGY -1.526557976882e+02
-FORCES -4.3616000000e-03  3.5495000000e-03  2.9860000000e-04  3.0685000000e-03  6.3600000000e-05 -2.8172000000e-03  1.2220000000e-04 -2.9188000000e-03  2.8218000000e-03  3.7190000000e-03  1.7263000000e-03 -2.9083000000e-03  6.0040000000e-04 -3.1465000000e-03  4.4675000000e-03 -3.1484000000e-03  7.2580000000e-04 -1.8623000000e-03
-
-JOB 54
-COORDS -4.9707000000e-02  2.0870000000e-02 -1.7509270000e+00 -8.9553300000e-01 -2.1945700000e-01 -2.1291500000e+00  5.7995700000e-01 -1.2983200000e-01 -2.4559410000e+00  7.4068000000e-02 -2.9711000000e-02  1.8836130000e+00 -4.8657700000e-01 -3.1539600000e-01  1.1622990000e+00  4.6547200000e-01  7.8721300000e-01  1.5743080000e+00
-ENERGY -1.526570276725e+02
-FORCES  2.8470000000e-04 -1.8021000000e-03 -5.9511000000e-03  3.5440000000e-03  8.7460000000e-04  2.3151000000e-03 -3.0505000000e-03  8.3900000000e-04  2.5882000000e-03 -2.5700000000e-05  2.1381000000e-03 -6.8929000000e-03  3.9830000000e-04  4.2420000000e-04  5.1045000000e-03 -1.1509000000e-03 -2.4738000000e-03  2.8361000000e-03
-
-JOB 55
-COORDS  1.3328980000e+00  2.7100700000e-01  1.2610140000e+00  2.0987150000e+00  8.4462700000e-01  1.2877980000e+00  1.0362550000e+00  3.0903400000e-01  3.5173500000e-01 -1.3189900000e+00 -2.4957100000e-01 -1.2025930000e+00 -1.3728420000e+00 -1.0288420000e+00 -6.4935900000e-01 -1.9461310000e+00 -4.1175200000e-01 -1.9073070000e+00
-ENERGY -1.526573059821e+02
-FORCES  1.1104000000e-03  3.2221000000e-03 -4.4029000000e-03 -2.8122000000e-03 -2.1823000000e-03 -6.5100000000e-05  3.0649000000e-03 -1.0468000000e-03  5.5162000000e-03 -4.5147000000e-03 -3.9349000000e-03 -1.1086000000e-03  8.2760000000e-04  3.5632000000e-03 -3.0338000000e-03  2.3240000000e-03  3.7870000000e-04  3.0942000000e-03
-
-JOB 56
-COORDS -2.5154300000e-01  1.7403830000e+00  4.9589400000e-01  2.1762100000e-01  2.1330430000e+00  1.2320560000e+00 -1.1695200000e+00  1.7437770000e+00  7.6707500000e-01  2.2415100000e-01 -1.7774620000e+00 -6.0498700000e-01  4.7541700000e-01 -2.3182220000e+00  1.4379600000e-01  6.7948500000e-01 -9.4722100000e-01 -4.6497900000e-01
-ENERGY -1.526566360179e+02
-FORCES -3.5646000000e-03  2.6195000000e-03  4.0656000000e-03 -1.7350000000e-03 -2.2109000000e-03 -3.1097000000e-03  4.1701000000e-03  6.4420000000e-04 -6.7200000000e-04  2.5670000000e-03  3.1863000000e-03  3.6468000000e-03 -1.0141000000e-03  1.8853000000e-03 -2.7336000000e-03 -4.2340000000e-04 -6.1244000000e-03 -1.1971000000e-03
-
-JOB 57
-COORDS  1.2244820000e+00 -2.6368600000e-01 -1.3227710000e+00  1.6943610000e+00 -7.7567600000e-01 -6.6450700000e-01  1.6357870000e+00 -5.0471700000e-01 -2.1528100000e+00 -1.3282820000e+00  3.2299000000e-01  1.2952090000e+00 -1.2062320000e+00 -5.1561300000e-01  1.7402720000e+00 -5.1555300000e-01  8.0168500000e-01  1.4581660000e+00
-ENERGY -1.526530699971e+02
-FORCES  3.1502000000e-03 -3.4338000000e-03 -1.4906000000e-03 -1.9679000000e-03  2.5140000000e-03 -2.0166000000e-03 -1.7945000000e-03  9.7910000000e-04  3.5697000000e-03  4.3593000000e-03 -1.1543000000e-03  7.1500000000e-04 -2.9690000000e-04  3.2255000000e-03 -1.5273000000e-03 -3.4502000000e-03 -2.1305000000e-03  7.4980000000e-04
-
-JOB 58
-COORDS  1.6606460000e+00  7.1691000000e-02 -9.7536200000e-01  1.1556750000e+00  2.5123100000e-01 -1.8226700000e-01  1.8342780000e+00  9.3527000000e-01 -1.3499500000e+00 -1.6467600000e+00 -1.6756200000e-01  9.0281500000e-01 -1.7465780000e+00  7.8241400000e-01  8.4105900000e-01 -1.4596610000e+00 -3.2960600000e-01  1.8274590000e+00
-ENERGY -1.526548024516e+02
-FORCES -2.8407000000e-03  3.1742000000e-03  1.9142000000e-03  4.4828000000e-03  7.8580000000e-04 -3.1830000000e-03 -8.4990000000e-04 -3.2505000000e-03  1.6249000000e-03 -2.5614000000e-03  2.3391000000e-03  3.9589000000e-03  1.8217000000e-03 -4.1253000000e-03  1.2850000000e-04 -5.2700000000e-05  1.0767000000e-03 -4.4434000000e-03
-
-JOB 59
-COORDS  1.2502530000e+00 -2.5045800000e-01  1.3760190000e+00  2.0539150000e+00 -4.6511000000e-02  8.9772500000e-01  1.2053900000e+00  4.1350500000e-01  2.0640390000e+00 -1.2935690000e+00  2.4563400000e-01 -1.3470690000e+00 -9.3253800000e-01 -6.3653800000e-01 -1.2595420000e+00 -1.6724180000e+00  2.6379000000e-01 -2.2259180000e+00
-ENERGY -1.526547931265e+02
-FORCES  2.4122000000e-03  4.9186000000e-03  8.8480000000e-04 -3.0544000000e-03 -1.3535000000e-03  1.9271000000e-03  7.8410000000e-04 -2.9472000000e-03 -2.3628000000e-03  3.9400000000e-04 -4.2489000000e-03 -1.9466000000e-03 -2.2670000000e-03  3.5374000000e-03 -2.1119000000e-03  1.7311000000e-03  9.3600000000e-05  3.6094000000e-03
-
-JOB 60
-COORDS  3.0420500000e-01  1.6048510000e+00  9.9420500000e-01 -4.6376300000e-01  2.0607310000e+00  6.4977700000e-01  1.4197700000e-01  1.5386360000e+00  1.9352310000e+00 -2.9633500000e-01 -1.5902430000e+00 -1.0404040000e+00  4.7096700000e-01 -1.4329410000e+00 -4.9019000000e-01 -1.7772400000e-01 -2.4816050000e+00 -1.3684830000e+00
-ENERGY -1.526556511100e+02
-FORCES -4.8701000000e-03  2.0857000000e-03  1.8664000000e-03  3.4230000000e-03 -1.1751000000e-03  2.0343000000e-03  9.2910000000e-04  6.2900000000e-05 -3.8081000000e-03  4.2134000000e-03 -1.8049000000e-03  1.3945000000e-03 -3.1869000000e-03 -2.7449000000e-03 -2.8989000000e-03 -5.0840000000e-04  3.5763000000e-03  1.4118000000e-03
-
-JOB 61
-COORDS -9.1745400000e-01  7.4602400000e-01  1.5935830000e+00 -8.8297300000e-01  1.0996730000e+00  2.4823880000e+00 -2.7523100000e-01  1.2611190000e+00  1.1052610000e+00  8.7513400000e-01 -7.7839100000e-01 -1.5502020000e+00  2.4220600000e-01 -7.2827100000e-01 -2.2665270000e+00  1.7045810000e+00 -9.9235700000e-01 -1.9773670000e+00
-ENERGY -1.526544575445e+02
-FORCES  3.7152000000e-03  2.8252000000e-03  6.7280000000e-04 -1.4550000000e-04 -1.4691000000e-03 -3.5079000000e-03 -3.4344000000e-03 -7.9440000000e-04  3.0343000000e-03  2.7120000000e-04 -1.6639000000e-03 -4.8642000000e-03  3.0089000000e-03  5.3700000000e-05  2.7784000000e-03 -3.4155000000e-03  1.0486000000e-03  1.8866000000e-03
-
-JOB 62
-COORDS  7.6397400000e-01  5.2831700000e-01 -1.7886840000e+00  3.0065000000e-02 -8.2140000000e-02 -1.8590530000e+00  1.5315830000e+00  9.4980000000e-03 -2.0291730000e+00 -8.2780900000e-01 -4.5749300000e-01  1.7960310000e+00 -3.4182000000e-01 -1.2115460000e+00  1.4621880000e+00 -1.8149800000e-01  4.3377000000e-02  2.2936680000e+00
-ENERGY -1.526541439936e+02
-FORCES -8.8420000000e-04 -4.0721000000e-03 -1.5172000000e-03  3.7606000000e-03  2.0049000000e-03 -1.7050000000e-04 -3.1192000000e-03  1.9519000000e-03  1.5387000000e-03  5.4221000000e-03  1.2870000000e-04  4.1320000000e-04 -2.3490000000e-03  2.4843000000e-03  1.0328000000e-03 -2.8303000000e-03 -2.4977000000e-03 -1.2969000000e-03
-
-JOB 63
-COORDS -1.7053510000e+00  1.0061440000e+00  4.9845700000e-01 -1.4541710000e+00  1.9116300000e+00  3.1615400000e-01 -1.6580850000e+00  5.6823900000e-01 -3.5138900000e-01  1.6893560000e+00 -1.0771160000e+00 -4.9280400000e-01  2.3482450000e+00 -4.2123500000e-01 -2.6494900000e-01  1.0093540000e+00 -9.7559800000e-01  1.7317200000e-01
-ENERGY -1.526561409089e+02
-FORCES -1.5220000000e-04  2.7918000000e-03 -4.9203000000e-03 -8.5050000000e-04 -3.8436000000e-03  9.5710000000e-04  1.8360000000e-04  1.6301000000e-03  4.4179000000e-03  9.6900000000e-05  2.9212000000e-03  4.7106000000e-03 -2.5273000000e-03 -2.5486000000e-03 -1.2269000000e-03  3.2494000000e-03 -9.5090000000e-04 -3.9383000000e-03
-
-JOB 64
-COORDS -7.4868800000e-01  1.5415700000e+00 -1.0816190000e+00 -7.9617600000e-01  2.2637490000e+00 -4.5517400000e-01 -5.7012000000e-02  1.7980550000e+00 -1.6915640000e+00  7.4359300000e-01 -1.6553210000e+00  1.0892150000e+00  5.2053900000e-01 -1.0002430000e+00  1.7505410000e+00  3.8357100000e-01 -1.3057050000e+00  2.7411700000e-01
-ENERGY -1.526563803169e+02
-FORCES  2.0463000000e-03  5.5156000000e-03 -8.9740000000e-04  3.8470000000e-04 -3.3527000000e-03 -2.4246000000e-03 -2.9269000000e-03 -1.3442000000e-03  2.8497000000e-03 -3.3223000000e-03  4.7994000000e-03 -1.4101000000e-03  1.2660000000e-03 -2.6813000000e-03 -1.8504000000e-03  2.5522000000e-03 -2.9368000000e-03  3.7327000000e-03
-
-JOB 65
-COORDS -1.5392760000e+00  1.4740010000e+00 -3.9722500000e-01 -9.0772000000e-01  9.5523200000e-01 -8.9547000000e-01 -1.0994290000e+00  1.6543460000e+00  4.3358400000e-01  1.4938020000e+00 -1.5098090000e+00  4.1350000000e-01  2.1476430000e+00 -9.1659300000e-01  4.3609000000e-02  6.5315700000e-01 -1.1270140000e+00  1.6247200000e-01
-ENERGY -1.526528967074e+02
-FORCES  3.6230000000e-03  2.6600000000e-05  1.2288000000e-03 -2.0649000000e-03  1.0517000000e-03  3.0669000000e-03 -1.6569000000e-03 -1.4083000000e-03 -4.0729000000e-03 -3.5990000000e-04  2.9012000000e-03 -2.3405000000e-03 -3.4024000000e-03 -2.1888000000e-03  1.5612000000e-03  3.8611000000e-03 -3.8230000000e-04  5.5650000000e-04
-
-JOB 66
-COORDS  1.1540090000e+00  1.5212410000e+00  1.0577320000e+00  2.3397000000e-01  1.3238010000e+00  1.2331660000e+00  1.5127120000e+00  7.0458800000e-01  7.1039500000e-01 -1.1789510000e+00 -1.4565510000e+00 -1.0291310000e+00 -4.8311000000e-01 -1.9486630000e+00 -5.9339800000e-01 -7.9154900000e-01 -1.1761520000e+00 -1.8583040000e+00
-ENERGY -1.526546955760e+02
-FORCES -3.2214000000e-03 -4.1286000000e-03 -7.8740000000e-04  4.4501000000e-03  1.2076000000e-03 -1.5790000000e-04 -9.0810000000e-04  2.9648000000e-03  1.2269000000e-03  3.6353000000e-03 -1.8085000000e-03 -2.8777000000e-03 -2.5295000000e-03  2.9995000000e-03 -1.3047000000e-03 -1.4264000000e-03 -1.2348000000e-03  3.9007000000e-03
-
-JOB 67
-COORDS -6.5393900000e-01  4.6987800000e-01 -1.9641190000e+00 -9.7350100000e-01  1.0937830000e+00 -2.6159280000e+00  2.8088900000e-01  6.6074200000e-01 -1.8873160000e+00  6.4245100000e-01 -4.7191300000e-01  1.9667730000e+00  1.0472490000e+00 -1.2807440000e+00  2.2800840000e+00 -2.6986700000e-01 -5.3498000000e-01  2.2494910000e+00
-ENERGY -1.526546773517e+02
-FORCES  3.2320000000e-03  3.2673000000e-03 -1.5706000000e-03  1.1633000000e-03 -2.5333000000e-03  2.6683000000e-03 -4.0085000000e-03 -5.7310000000e-04 -1.4790000000e-03 -2.9499000000e-03 -3.6665000000e-03  2.0196000000e-03 -1.4578000000e-03  3.3280000000e-03 -1.2608000000e-03  4.0209000000e-03  1.7760000000e-04 -3.7740000000e-04
-
-JOB 68
-COORDS  1.7817280000e+00  1.0990210000e+00 -3.7333000000e-01  1.8611720000e+00  2.0524540000e+00 -3.4356200000e-01  2.4498090000e+00  7.8342000000e-01  2.3518900000e-01 -1.7963990000e+00 -1.1072990000e+00  2.8902000000e-01 -2.6220320000e+00 -1.5890510000e+00  2.3924600000e-01 -1.5446190000e+00 -1.1572430000e+00  1.2111610000e+00
-ENERGY -1.526528741204e+02
-FORCES  2.7256000000e-03  2.5897000000e-03  2.3096000000e-03 -2.2810000000e-04 -3.9339000000e-03 -1.0330000000e-04 -2.8417000000e-03  1.2209000000e-03 -2.3156000000e-03 -1.7662000000e-03 -1.8703000000e-03  3.5729000000e-03  3.4264000000e-03  2.0692000000e-03  6.8800000000e-05 -1.3160000000e-03 -7.5700000000e-05 -3.5324000000e-03
-
-JOB 69
-COORDS  2.2970660000e+00 -5.9975000000e-02 -3.7273000000e-01  1.7816310000e+00  2.6214600000e-01 -1.1121870000e+00  1.6526000000e+00 -2.2376300000e-01  3.1579700000e-01 -2.2746460000e+00  2.6122000000e-02  3.2402100000e-01 -2.4562260000e+00  3.6825000000e-01  1.1993550000e+00 -1.3216820000e+00  6.6333000000e-02  2.4355600000e-01
-ENERGY -1.526527108676e+02
-FORCES -3.6983000000e-03  3.3650000000e-04 -6.9560000000e-04  1.7228000000e-03 -1.4150000000e-03  3.8803000000e-03  1.5540000000e-03  1.2143000000e-03 -3.1133000000e-03  2.2962000000e-03  1.7298000000e-03  3.6035000000e-03  1.0004000000e-03 -1.5631000000e-03 -3.8488000000e-03 -2.8751000000e-03 -3.0240000000e-04  1.7390000000e-04
-
-JOB 70
-COORDS -5.1826400000e-01  1.5162940000e+00 -1.5928100000e+00 -1.4711100000e+00  1.5932410000e+00 -1.6417390000e+00 -2.6573000000e-01  2.1085040000e+00 -8.8447000000e-01  6.0549600000e-01 -1.5176530000e+00  1.5456800000e+00  3.3692000000e-02 -1.8968510000e+00  8.7823600000e-01  2.5321400000e-01 -1.8405020000e+00  2.3750760000e+00
-ENERGY -1.526544214125e+02
-FORCES -2.2431000000e-03  2.9624000000e-03  3.2146000000e-03  3.7682000000e-03 -6.0030000000e-04  1.7920000000e-04 -1.4188000000e-03 -1.9903000000e-03 -3.3387000000e-03 -3.6488000000e-03 -2.9547000000e-03 -1.4330000000e-04  2.1869000000e-03  1.0766000000e-03  3.4211000000e-03  1.3557000000e-03  1.5063000000e-03 -3.3329000000e-03
-
-JOB 71
-COORDS  1.6118000000e-02  2.1301930000e+00 -8.4668500000e-01  3.4041300000e-01  3.0198160000e+00 -7.0655900000e-01  4.8042600000e-01  1.6006170000e+00 -1.9845700000e-01 -6.6443000000e-02 -2.1008450000e+00  8.5376600000e-01 -6.2618000000e-01 -2.3130240000e+00  1.0683400000e-01  6.5925100000e-01 -2.7221550000e+00  7.9398500000e-01
-ENERGY -1.526554028311e+02
-FORCES  3.0486000000e-03  9.2490000000e-04  3.7602000000e-03 -1.2328000000e-03 -3.5023000000e-03 -6.0690000000e-04 -1.5715000000e-03  3.1866000000e-03 -3.2534000000e-03  6.4600000000e-05 -3.9839000000e-03 -3.4550000000e-03  2.5643000000e-03  6.4810000000e-04  3.2789000000e-03 -2.8732000000e-03  2.7266000000e-03  2.7620000000e-04
-
-JOB 72
-COORDS -1.2817300000e+00 -3.7938900000e-01 -1.8640400000e+00 -1.5011440000e+00  1.0508000000e-02 -2.7102490000e+00 -1.7024200000e+00  1.9100000000e-01 -1.2206830000e+00  1.3005540000e+00  2.6368700000e-01  1.8513880000e+00  8.1284400000e-01  1.0843090000e+00  1.7810270000e+00  2.0864060000e+00  4.9332500000e-01  2.3473070000e+00
-ENERGY -1.526531117645e+02
-FORCES -2.4031000000e-03  3.6428000000e-03 -4.8750000000e-04  9.6220000000e-04 -1.5901000000e-03  3.4851000000e-03  1.5834000000e-03 -1.9388000000e-03 -2.7263000000e-03  1.5446000000e-03  4.1258000000e-03  1.4083000000e-03  1.5704000000e-03 -3.2892000000e-03  3.2420000000e-04 -3.2576000000e-03 -9.5050000000e-04 -2.0037000000e-03
-
-JOB 73
-COORDS  1.2180250000e+00 -1.9652440000e+00  5.4385800000e-01  1.6914840000e+00 -1.8045730000e+00  1.3601010000e+00  6.3553000000e-01 -1.2112720000e+00  4.5188800000e-01 -1.2734810000e+00  1.9084630000e+00 -5.8874100000e-01 -5.7539500000e-01  1.4428660000e+00 -1.2816800000e-01 -8.6561200000e-01  2.7232310000e+00 -8.8204800000e-01
-ENERGY -1.526528525787e+02
-FORCES -6.9060000000e-04  2.8823000000e-03  3.1217000000e-03 -2.0330000000e-03 -3.8840000000e-04 -3.6158000000e-03  2.7518000000e-03 -1.8831000000e-03  4.1620000000e-04  4.5004000000e-03  2.3192000000e-03  1.3020000000e-04 -2.6949000000e-03  5.4900000000e-04 -1.4288000000e-03 -1.8337000000e-03 -3.4789000000e-03  1.3764000000e-03
-
-JOB 74
-COORDS  1.5344060000e+00 -1.9994280000e+00  3.7487700000e-01  1.7818730000e+00 -2.1762550000e+00 -5.3271500000e-01  5.7783400000e-01 -2.0340860000e+00  3.7391200000e-01 -1.4638670000e+00  2.0600680000e+00 -2.8749700000e-01 -2.3212760000e+00  1.9989300000e+00 -7.0861900000e-01 -1.0389920000e+00  1.2255960000e+00 -4.8591300000e-01
-ENERGY -1.526535330916e+02
-FORCES -2.3528000000e-03 -1.5764000000e-03 -3.3121000000e-03 -1.3316000000e-03  9.8630000000e-04  3.7696000000e-03  3.7882000000e-03  7.9070000000e-04 -4.3240000000e-04 -1.4852000000e-03 -3.3215000000e-03 -2.4196000000e-03  3.6005000000e-03  7.9200000000e-05  1.7477000000e-03 -2.2191000000e-03  3.0416000000e-03  6.4680000000e-04
-
-JOB 75
-COORDS  2.7115600000e-01  1.4664310000e+00 -2.0348860000e+00  3.1992200000e-01  2.3891020000e+00 -2.2849510000e+00 -6.5210600000e-01  1.2373800000e+00 -2.1414460000e+00 -1.9258200000e-01 -1.5193600000e+00  2.1222100000e+00 -4.2668700000e-01 -7.0370500000e-01  1.6793390000e+00 -3.9370200000e-01 -2.2047140000e+00  1.4849720000e+00
-ENERGY -1.526544189010e+02
-FORCES -3.1704000000e-03  3.3631000000e-03 -2.1320000000e-03 -3.2550000000e-04 -3.8911000000e-03  1.0389000000e-03  3.7860000000e-03  6.1940000000e-04  1.0113000000e-03 -1.0842000000e-03  8.3890000000e-04 -4.8170000000e-03  2.8690000000e-04 -3.5521000000e-03  2.2015000000e-03  5.0730000000e-04  2.6218000000e-03  2.6973000000e-03
-
-JOB 76
-COORDS  1.9638200000e-01 -2.2119390000e+00 -1.3715870000e+00  4.9363000000e-01 -2.9875090000e+00 -1.8473660000e+00 -7.0320700000e-01 -2.0775970000e+00 -1.6697860000e+00 -1.4289500000e-01  2.2285640000e+00  1.4693670000e+00 -7.4319700000e-01  2.9456010000e+00  1.2650940000e+00  1.0300000000e-01  1.8710010000e+00  6.1618600000e-01
-ENERGY -1.526543659822e+02
-FORCES -2.4161000000e-03 -3.1885000000e-03 -2.9555000000e-03 -1.2907000000e-03  3.2155000000e-03  1.8793000000e-03  3.7761000000e-03 -2.1560000000e-04  1.1100000000e-03 -1.0607000000e-03  9.6960000000e-04 -4.4174000000e-03  2.3241000000e-03 -2.8954000000e-03  8.2210000000e-04 -1.3327000000e-03  2.1145000000e-03  3.5616000000e-03
-
-JOB 77
-COORDS  1.6787340000e+00 -2.0245240000e+00  1.0104450000e+00  1.2054290000e+00 -1.6651790000e+00  1.7608350000e+00  1.4122910000e+00 -1.4752270000e+00  2.7321200000e-01 -1.5797330000e+00  1.9998320000e+00 -1.0095610000e+00 -2.1410520000e+00  1.8637630000e+00 -1.7728680000e+00 -2.0827350000e+00  1.6466310000e+00 -2.7575500000e-01
-ENERGY -1.526545676470e+02
-FORCES -2.7926000000e-03  4.1077000000e-03 -1.5830000000e-04  1.7428000000e-03 -1.6145000000e-03 -2.9096000000e-03  1.0587000000e-03 -2.6965000000e-03  3.1774000000e-03 -4.8401000000e-03 -1.4074000000e-03 -4.4830000000e-04  2.3800000000e-03  4.6980000000e-04  3.2458000000e-03  2.4512000000e-03  1.1409000000e-03 -2.9070000000e-03
-
-JOB 78
-COORDS  1.7534880000e+00 -2.3473670000e+00 -3.3575600000e-01  2.2924720000e+00 -2.3794520000e+00  4.5462300000e-01  1.3524110000e+00 -1.4784360000e+00 -3.1761500000e-01 -1.7279780000e+00  2.3217900000e+00  3.4407300000e-01 -1.9098270000e+00  2.8281110000e+00 -4.4763500000e-01 -2.1260980000e+00  1.4670940000e+00  1.7906700000e-01
-ENERGY -1.526545399591e+02
-FORCES  7.9950000000e-04  3.6036000000e-03  3.4481000000e-03 -2.1865000000e-03  8.1000000000e-06 -3.2432000000e-03  1.3917000000e-03 -3.8045000000e-03 -2.6450000000e-04 -2.9260000000e-03 -1.0215000000e-03 -3.8928000000e-03  8.4210000000e-04 -2.1677000000e-03  3.2713000000e-03  2.0792000000e-03  3.3820000000e-03  6.8110000000e-04
-
-JOB 79
-COORDS  3.9873100000e-01  2.4453460000e+00  1.4809330000e+00  6.5304300000e-01  2.8214650000e+00  6.3826400000e-01 -1.5226800000e-01  3.1150000000e+00  1.8861440000e+00 -3.7309600000e-01 -2.4406520000e+00 -1.4751350000e+00  2.3874200000e-01 -2.9786440000e+00 -9.7269000000e-01 -1.1248390000e+00 -3.0127460000e+00 -1.6294850000e+00
-ENERGY -1.526539590871e+02
-FORCES -1.3617000000e-03  3.9730000000e-03 -2.2012000000e-03 -9.0720000000e-04 -1.2433000000e-03  3.6342000000e-03  2.2520000000e-03 -2.6890000000e-03 -1.5421000000e-03 -5.2850000000e-04 -4.3488000000e-03  1.8660000000e-03 -2.4862000000e-03  2.0016000000e-03 -2.2736000000e-03  3.0315000000e-03  2.3064000000e-03  5.1670000000e-04
-
-JOB 80
-COORDS  1.7345430000e+00  1.6258700000e+00 -1.8102120000e+00  1.5679620000e+00  1.6537110000e+00 -8.6803000000e-01  2.6800830000e+00  1.7512990000e+00 -1.8905560000e+00 -1.7487080000e+00 -1.6804820000e+00  1.7966560000e+00 -1.3583630000e+00 -1.2048390000e+00  1.0634260000e+00 -2.6329970000e+00 -1.3218540000e+00  1.8718250000e+00
-ENERGY -1.526542607738e+02
-FORCES  3.6413000000e-03  8.0630000000e-04  3.3634000000e-03  2.6420000000e-04 -3.5630000000e-04 -3.8502000000e-03 -3.9277000000e-03 -4.7810000000e-04  3.4100000000e-04 -2.2414000000e-03  3.1591000000e-03 -2.9627000000e-03 -1.3972000000e-03 -1.7174000000e-03  3.3242000000e-03  3.6608000000e-03 -1.4136000000e-03 -2.1580000000e-04
-
-JOB 81
-COORDS -1.7273950000e+00 -6.1311700000e-01  2.6232610000e+00 -1.1948560000e+00 -5.4657600000e-01  3.4158550000e+00 -1.5987770000e+00  2.2373800000e-01  2.1767600000e+00  1.6953190000e+00  5.7924900000e-01 -2.7121790000e+00  2.3037600000e+00  4.1912000000e-02 -2.2049330000e+00  1.0478450000e+00  8.7689200000e-01 -2.0731030000e+00
-ENERGY -1.526538809080e+02
-FORCES  2.3503000000e-03  3.6703000000e-03  1.7879000000e-03 -2.0952000000e-03 -2.5820000000e-04 -3.4036000000e-03 -2.4250000000e-04 -3.4866000000e-03  1.5488000000e-03 -2.2730000000e-04 -1.2788000000e-03  4.5702000000e-03 -2.4387000000e-03  2.3488000000e-03 -2.0368000000e-03  2.6534000000e-03 -9.9550000000e-04 -2.4665000000e-03
-
-JOB 82
-COORDS -4.1995900000e-01 -2.7516840000e+00 -2.3171740000e+00 -3.6879200000e-01 -1.8247610000e+00 -2.0838770000e+00 -8.9858000000e-01 -3.1553230000e+00 -1.5931380000e+00  4.5092600000e-01  2.6639510000e+00  2.2374820000e+00 -2.9617200000e-01  3.2513280000e+00  2.1231850000e+00  1.0397490000e+00  3.1363240000e+00  2.8260250000e+00
-ENERGY -1.526544296102e+02
-FORCES -1.5727000000e-03  2.2915000000e-03  4.1162000000e-03 -3.3300000000e-04 -3.8599000000e-03 -1.1584000000e-03  1.8505000000e-03  1.5201000000e-03 -3.0195000000e-03 -4.9490000000e-04  4.4586000000e-03  2.0709000000e-03  3.0049000000e-03 -2.4915000000e-03  3.9760000000e-04 -2.4547000000e-03 -1.9188000000e-03 -2.4069000000e-03
-
-JOB 83
-COORDS -4.1100300000e-01  1.9362800000e+00 -3.0143680000e+00 -1.1479800000e+00  1.8067010000e+00 -2.4174540000e+00 -7.8120500000e-01  2.4233380000e+00 -3.7505450000e+00  4.3824100000e-01 -1.9857100000e+00  2.9738140000e+00  1.2564170000e+00 -2.2729060000e+00  3.3791990000e+00  2.3213000000e-01 -1.1585310000e+00  3.4091590000e+00
-ENERGY -1.526540398538e+02
-FORCES -4.5445000000e-03  1.2327000000e-03 -5.1470000000e-04  2.9872000000e-03  7.1190000000e-04 -2.4672000000e-03  1.5297000000e-03 -1.9423000000e-03  2.9955000000e-03  2.6811000000e-03  2.2269000000e-03  3.3142000000e-03 -3.3816000000e-03  1.1433000000e-03 -1.5769000000e-03  7.2810000000e-04 -3.3725000000e-03 -1.7508000000e-03
-
-JOB 84
-COORDS -3.5013400000e+00  6.7112000000e-01 -2.3856570000e+00 -4.3445460000e+00  1.1129850000e+00 -2.4856040000e+00 -2.9096780000e+00  1.1488030000e+00 -2.9670240000e+00  3.4812890000e+00 -6.7239600000e-01  2.3923110000e+00  3.4103860000e+00 -9.7184900000e-01  3.2986960000e+00  4.1654370000e+00 -1.2224180000e+00  2.0106710000e+00
-ENERGY -1.526539747278e+02
-FORCES -8.8090000000e-04  3.7946000000e-03 -2.6878000000e-03  3.4006000000e-03 -1.8225000000e-03  3.9460000000e-04 -2.4934000000e-03 -1.9585000000e-03  2.2935000000e-03  2.3654000000e-03 -3.5292000000e-03  2.1185000000e-03  3.4940000000e-04  1.2429000000e-03 -3.6755000000e-03 -2.7410000000e-03  2.2728000000e-03  1.5566000000e-03
-
-JOB 85
-COORDS  3.2628360000e+00 -9.2511000000e-02 -3.1093740000e+00  2.8155060000e+00  3.4939000000e-01 -2.3876740000e+00  4.1440750000e+00 -2.6320300000e-01 -2.7769390000e+00 -3.3469610000e+00  9.2320000000e-02  3.0553450000e+00 -2.6130100000e+00  7.0580400000e-01  3.0897760000e+00 -2.9366040000e+00 -7.6831900000e-01  2.9708540000e+00
-ENERGY -1.526539433823e+02
-FORCES  1.8199000000e-03  1.1485000000e-03  4.1971000000e-03  1.7995000000e-03 -1.8435000000e-03 -2.8682000000e-03 -3.6376000000e-03  6.8880000000e-04 -1.3146000000e-03  4.5821000000e-03 -1.0492000000e-03 -1.9280000000e-04 -2.9394000000e-03 -2.5019000000e-03 -1.7010000000e-04 -1.6246000000e-03  3.5573000000e-03  3.4860000000e-04
-
-JOB 86
-COORDS  4.8941210000e+00 -3.0813600000e-01  3.6924240000e+00  5.3901430000e+00  5.0199500000e-01  3.5746060000e+00  3.9806200000e+00 -2.5810000000e-02  3.7375870000e+00 -4.8361520000e+00  2.0705800000e-01 -3.7299840000e+00 -5.5842000000e+00  7.6288300000e-01 -3.9484170000e+00 -4.6751140000e+00  3.7536000000e-01 -2.8015590000e+00
-ENERGY -1.526540340879e+02
-FORCES -1.6856000000e-03  4.4446000000e-03 -3.2320000000e-04 -2.0334000000e-03 -3.3002000000e-03  4.9290000000e-04  3.7133000000e-03 -1.1435000000e-03 -1.7160000000e-04 -2.4161000000e-03  2.9265000000e-03  2.8788000000e-03  3.0626000000e-03 -2.2591000000e-03  9.0050000000e-04 -6.4080000000e-04 -6.6830000000e-04 -3.7775000000e-03
-
-JOB 87
-COORDS -4.1076130000e+00 -6.8435200000e-01  5.2157940000e+00 -4.6125500000e+00 -4.3985300000e-01  4.4402360000e+00 -3.5538380000e+00  7.6417000000e-02  5.3912820000e+00  4.0564580000e+00  6.0719100000e-01 -5.2238680000e+00  3.9547540000e+00  8.5136800000e-01 -4.3039410000e+00  4.9886620000e+00  7.3004700000e-01 -5.4031270000e+00
-ENERGY -1.526540681582e+02
-FORCES  1.7300000000e-04  4.0916000000e-03 -2.4557000000e-03  2.0716000000e-03 -9.9000000000e-04  3.1714000000e-03 -2.2428000000e-03 -3.1019000000e-03 -7.1550000000e-04  3.4104000000e-03  1.4715000000e-03  3.0113000000e-03  3.9730000000e-04 -9.8010000000e-04 -3.7472000000e-03 -3.8095000000e-03 -4.9110000000e-04  7.3560000000e-04
-
-JOB 88
-COORDS -5.3518770000e+00 -1.7358080000e+00  4.3654320000e+00 -6.0931080000e+00 -2.3144230000e+00  4.5443510000e+00 -4.6635590000e+00 -2.0372070000e+00  4.9583980000e+00  5.3656760000e+00  1.7891470000e+00 -4.3527750000e+00  4.9872710000e+00  2.5024340000e+00 -4.8668390000e+00  5.4979020000e+00  1.0820990000e+00 -4.9843060000e+00
-ENERGY -1.526540675177e+02
-FORCES -1.8720000000e-04 -3.5835000000e-03  3.1482000000e-03  3.0145000000e-03  2.3597000000e-03 -7.3300000000e-04 -2.8247000000e-03  1.2231000000e-03 -2.4137000000e-03 -1.0398000000e-03  2.8100000000e-05 -4.6636000000e-03  1.5614000000e-03 -2.9088000000e-03  2.0887000000e-03 -5.2420000000e-04  2.8815000000e-03  2.5733000000e-03
-
-JOB 89
-COORDS  6.7714420000e+00  3.9210740000e+00  1.5270030000e+00  7.0699400000e+00  4.5143140000e+00  2.2163480000e+00  5.8205500000e+00  4.0297540000e+00  1.5119880000e+00 -6.8029030000e+00 -3.9446840000e+00 -1.5834030000e+00 -6.5489200000e+00 -4.3626150000e+00 -7.6056800000e-01 -5.9731700000e+00 -3.7270500000e+00 -2.0081510000e+00
-ENERGY -1.526540804325e+02
-FORCES -2.6460000000e-03  2.8854000000e-03  2.7510000000e-03 -1.2236000000e-03 -2.4272000000e-03 -2.8113000000e-03  3.8711000000e-03 -4.5940000000e-04  5.9700000000e-05  4.4234000000e-03 -8.3420000000e-04  1.6126000000e-03 -1.0378000000e-03  1.7135000000e-03 -3.3512000000e-03 -3.3871000000e-03 -8.7810000000e-04  1.7391000000e-03
-
-JOB 0
-COORDS  6.5184400000e-01  9.0393700000e-01 -5.4500500000e-01  1.2993790000e+00  6.8565500000e-01  1.2528000000e-01  1.1277390000e+00  8.2835500000e-01 -1.3720740000e+00 -7.7912100000e-01 -9.0052100000e-01  5.5437700000e-01 -3.2667900000e-01 -4.2939500000e-01 -1.4531400000e-01 -8.7032000000e-02 -1.1339170000e+00  1.1730610000e+00
-ENERGY -1.526521674655e+02
-FORCES -3.2655000000e-03 -7.0804000000e-03  7.7300000000e-03 -4.8867000000e-03 -2.4407000000e-03 -3.8932000000e-03 -3.8114000000e-03 -2.0802000000e-03  5.5488000000e-03  1.2977300000e-02  1.6036500000e-02 -1.0329200000e-02 -7.9580000000e-04 -7.0281000000e-03  3.1393000000e-03 -2.1790000000e-04  2.5928000000e-03 -2.1957000000e-03
-
-JOB 1
-COORDS  4.9002000000e-01  1.3657900000e-01 -1.2326930000e+00  4.8508000000e-02  8.6895000000e-02 -3.8485400000e-01  1.1201500000e+00 -5.8379800000e-01 -1.2177110000e+00 -4.5091300000e-01 -1.2719900000e-01  1.1251570000e+00 -1.3116700000e+00  2.5167000000e-01  9.4686700000e-01 -2.8830500000e-01  7.0000000000e-02  2.0476020000e+00
-ENERGY -1.526539671835e+02
-FORCES -3.7928000000e-03 -4.7891000000e-03  2.1796900000e-02 -8.1708000000e-03  1.7571000000e-03 -4.3559000000e-03 -9.1350000000e-04  1.7805000000e-03 -3.1800000000e-05  8.1710000000e-03  3.9940000000e-03 -1.1457800000e-02  7.8984000000e-03 -1.2780000000e-03 -1.7151000000e-03 -3.1924000000e-03 -1.4645000000e-03 -4.2363000000e-03
-
-JOB 2
-COORDS -1.3560300000e-01  1.0698860000e+00  6.2207400000e-01 -8.8336400000e-01  1.4355380000e+00  1.4943900000e-01 -1.9415600000e-01  1.4531380000e+00  1.4972440000e+00  2.1735200000e-01 -1.1631630000e+00 -6.5301500000e-01 -4.0170400000e-01 -8.1390600000e-01 -1.2941240000e+00  1.3816700000e-01 -5.7814600000e-01  1.0045500000e-01
-ENERGY -1.526551640662e+02
-FORCES -1.2668000000e-03 -6.5610000000e-03 -5.6265000000e-03  3.7038000000e-03 -2.5811000000e-03  2.5231000000e-03 -1.7920000000e-04 -2.3772000000e-03 -5.1425000000e-03 -3.2986000000e-03  1.7852000000e-02  8.6826000000e-03  7.9140000000e-04 -2.1060000000e-04  1.3090000000e-03  2.4930000000e-04 -6.1221000000e-03 -1.7458000000e-03
-
-JOB 3
-COORDS -1.6664000000e-02  4.4758200000e-01 -1.2941880000e+00 -4.7870000000e-03  2.6675000000e-01 -3.5429900000e-01  9.0279600000e-01  4.0938300000e-01 -1.5575630000e+00 -6.1378000000e-02 -4.3598700000e-01  1.1955250000e+00 -4.8803600000e-01 -9.3285000000e-02  1.9808600000e+00  7.9030700000e-01 -7.4761900000e-01  1.5017120000e+00
-ENERGY -1.526582286309e+02
-FORCES  6.0300000000e-04 -5.6136000000e-03  1.6344900000e-02  1.8226000000e-03  3.1314000000e-03 -8.1935000000e-03 -2.0963000000e-03 -7.4390000000e-04  2.4164000000e-03  7.7280000000e-04  3.0368000000e-03 -5.3975000000e-03  3.3180000000e-03 -2.4920000000e-03 -3.5225000000e-03 -4.4201000000e-03  2.6813000000e-03 -1.6479000000e-03
-
-JOB 4
-COORDS -7.4539900000e-01  2.1865600000e-01  1.0365980000e+00 -3.4995500000e-01 -3.0383500000e-01  1.7343510000e+00 -1.4231860000e+00  7.3219200000e-01  1.4760510000e+00  7.8915300000e-01 -2.3615300000e-01 -1.1529150000e+00  3.5041000000e-02 -6.5653100000e-01 -7.3960000000e-01  9.9893300000e-01  4.9957500000e-01 -5.7765100000e-01
-ENERGY -1.526575235434e+02
-FORCES  6.1630000000e-04 -5.2600000000e-04  2.9620000000e-04 -1.8895000000e-03  2.6294000000e-03 -4.4730000000e-03  4.0799000000e-03 -2.4021000000e-03 -1.6963000000e-03 -9.4108000000e-03  5.0851000000e-03  1.1364700000e-02  2.9426000000e-03 -3.8319000000e-03 -2.8008000000e-03  3.6615000000e-03 -9.5450000000e-04 -2.6907000000e-03
-
-JOB 5
-COORDS -9.4781500000e-01 -7.4910800000e-01 -5.0043100000e-01 -1.2465510000e+00 -8.0385800000e-01 -1.4081700000e+00 -7.8144800000e-01 -1.6571300000e+00 -2.4735100000e-01  1.0229570000e+00  8.0829000000e-01  5.2358100000e-01  4.5205500000e-01  9.4409000000e-02  2.3954600000e-01  4.4801100000e-01  1.3937970000e+00  1.0163790000e+00
-ENERGY -1.526589792821e+02
-FORCES  2.9805000000e-03  2.6188000000e-03 -2.8264000000e-03  4.7040000000e-04 -1.4413000000e-03  4.9343000000e-03  1.2490000000e-03  6.2893000000e-03 -1.1643000000e-03 -1.3631200000e-02 -6.1911000000e-03 -5.3866000000e-03  7.1237000000e-03 -7.2100000000e-05  5.5717000000e-03  1.8075000000e-03 -1.2036000000e-03 -1.1287000000e-03
-
-JOB 6
-COORDS -3.5746100000e-01 -2.9879000000e-01  1.2325710000e+00 -6.5237200000e-01  1.8108500000e-01  2.0065090000e+00 -1.0802710000e+00 -8.9209500000e-01  1.0282020000e+00  3.9501000000e-01  2.5435500000e-01 -1.3102690000e+00  3.8321000000e-02  4.2591200000e-01 -4.3873400000e-01  1.0828670000e+00  9.1064000000e-01 -1.4215160000e+00
-ENERGY -1.526593111187e+02
-FORCES -1.8268000000e-03 -2.5385000000e-03 -1.8265000000e-03  1.4841000000e-03 -2.2151000000e-03 -4.5764000000e-03  3.4247000000e-03  4.6729000000e-03  1.3706000000e-03 -9.2380000000e-04 -5.5810000000e-04  1.2948800000e-02  1.8730000000e-04  2.2084000000e-03 -9.5838000000e-03 -2.3454000000e-03 -1.5696000000e-03  1.6671000000e-03
-
-JOB 7
-COORDS -5.9344500000e-01  7.5489200000e-01 -8.9171600000e-01 -1.1987330000e+00  1.3594970000e+00 -1.3210310000e+00 -2.6090000000e-03  4.7111800000e-01 -1.5892950000e+00  6.2121700000e-01 -8.2548300000e-01  9.3419500000e-01  3.6816400000e-01 -7.0251900000e-01  1.8491140000e+00  3.6804300000e-01 -9.0730000000e-03  5.0336900000e-01
-ENERGY -1.526583549123e+02
-FORCES  7.3610000000e-04 -2.5979000000e-03  1.8300000000e-05  2.7705000000e-03 -3.6532000000e-03  5.6440000000e-04 -2.5794000000e-03  2.6865000000e-03  4.7151000000e-03 -7.7177000000e-03  7.9905000000e-03 -4.0967000000e-03  2.3860000000e-04  2.1910000000e-04 -2.8989000000e-03  6.5519000000e-03 -4.6451000000e-03  1.6977000000e-03
-
-JOB 8
-COORDS  9.5657200000e-01  9.2969100000e-01 -1.3656000000e-01  1.7994660000e+00  8.9752900000e-01  3.1590700000e-01  4.6365800000e-01  1.6098980000e+00  3.2233500000e-01 -9.8945900000e-01 -1.0365560000e+00  5.9022000000e-02 -1.4993000000e-01 -5.8623100000e-01 -3.3882000000e-02 -1.5467830000e+00 -4.1190500000e-01  5.2317100000e-01
-ENERGY -1.526586052180e+02
-FORCES -1.6623000000e-03  1.4279000000e-03  3.1903000000e-03 -5.1352000000e-03 -1.2900000000e-04 -1.8633000000e-03  2.0058000000e-03 -4.5990000000e-03 -1.5578000000e-03  9.1320000000e-03  1.1321600000e-02 -4.2570000000e-04 -5.7748000000e-03 -7.0180000000e-03  1.6857000000e-03  1.4346000000e-03 -1.0035000000e-03 -1.0292000000e-03
-
-JOB 9
-COORDS -1.0516240000e+00 -8.0263500000e-01  1.4379600000e-01 -1.5549550000e+00 -1.0929890000e+00 -6.1685100000e-01 -1.6889040000e+00 -3.4649200000e-01  6.9337600000e-01  1.1239240000e+00  8.5032700000e-01 -1.0083400000e-01  4.3494400000e-01  1.9395000000e-01  2.6440000000e-03  1.7055820000e+00  4.8468000000e-01 -7.6732300000e-01
-ENERGY -1.526608332754e+02
-FORCES -4.4850000000e-04  4.3868000000e-03 -2.0565000000e-03  1.7429000000e-03  1.3896000000e-03  4.2094000000e-03  3.0722000000e-03 -2.5380000000e-03 -3.6350000000e-03 -9.6503000000e-03 -1.0289400000e-02 -3.1300000000e-04  7.8581000000e-03  6.6978000000e-03  3.9970000000e-04 -2.5744000000e-03  3.5320000000e-04  1.3954000000e-03
-
-JOB 10
-COORDS -3.2347200000e-01  6.9978300000e-01  1.1798920000e+00  4.4403300000e-01  1.1660760000e+00  1.5111600000e+00  2.1114000000e-02  1.2626900000e-01  4.9536700000e-01  2.4555600000e-01 -7.1756200000e-01 -1.0984240000e+00  9.2548600000e-01 -1.0317150000e+00 -1.6944400000e+00 -1.1137200000e-01  5.8979000000e-02 -1.5294910000e+00
-ENERGY -1.526600015102e+02
-FORCES  6.0626000000e-03 -7.3104000000e-03 -7.0736000000e-03 -1.9227000000e-03 -1.6565000000e-03 -1.9462000000e-03 -4.4829000000e-03  8.1737000000e-03  3.7062000000e-03  5.9600000000e-04  2.2930000000e-03 -6.7530000000e-04 -3.8389000000e-03  2.5533000000e-03  1.6616000000e-03  3.5858000000e-03 -4.0531000000e-03  4.3273000000e-03
-
-JOB 11
-COORDS -3.0419300000e-01 -1.3618430000e+00  3.3407400000e-01 -3.3786100000e-01 -4.2355300000e-01  1.4776800000e-01  5.7300900000e-01 -1.6295910000e+00  6.0106000000e-02  2.5818800000e-01  1.2559580000e+00 -3.0958000000e-01  6.1154400000e-01  1.8632420000e+00 -9.5964000000e-01 -1.1312600000e-01  1.8199570000e+00  3.6884600000e-01
-ENERGY -1.526590291832e+02
-FORCES  6.4959000000e-03  1.1586200000e-02 -5.4567000000e-03 -4.1005000000e-03 -3.8283000000e-03  5.2989000000e-03 -2.2716000000e-03 -8.6850000000e-04  7.1520000000e-04 -1.8290000000e-04 -1.4806000000e-03 -9.0710000000e-04 -1.2604000000e-03 -1.4987000000e-03  4.3811000000e-03  1.3193000000e-03 -3.9100000000e-03 -4.0314000000e-03
-
-JOB 12
-COORDS  1.0596350000e+00  3.0976500000e-01  9.0446300000e-01  1.2148200000e-01  3.4585800000e-01  7.1791700000e-01  1.4463580000e+00  9.5865700000e-01  3.1657200000e-01 -1.0272490000e+00 -2.9698900000e-01 -8.1356700000e-01 -2.9301200000e-01 -8.7982700000e-01 -1.0070330000e+00 -1.7331640000e+00 -6.0314500000e-01 -1.3829400000e+00
-ENERGY -1.526602152563e+02
-FORCES -7.7960000000e-03  3.5442000000e-03 -4.9523000000e-03  6.7649000000e-03 -1.3805000000e-03  2.1805000000e-03 -5.4980000000e-04 -3.0545000000e-03  1.4763000000e-03  2.1744000000e-03 -2.8148000000e-03 -4.3910000000e-04 -5.1155000000e-03  3.3921000000e-03  1.1260000000e-04  4.5221000000e-03  3.1350000000e-04  1.6219000000e-03
-
-JOB 13
-COORDS  5.1413900000e-01  1.2470270000e+00  3.3504400000e-01  8.2003200000e-01  1.1189980000e+00 -5.6288100000e-01 -2.8990900000e-01  1.7583590000e+00  2.4405400000e-01 -5.4058900000e-01 -1.2717290000e+00 -2.6460300000e-01 -6.0136000000e-02 -1.8798600000e+00 -8.2636100000e-01  9.2419000000e-02 -5.8378100000e-01 -5.9027000000e-02
-ENERGY -1.526568802241e+02
-FORCES -6.5001000000e-03  1.9641000000e-03 -3.8681000000e-03 -2.6092000000e-03 -5.6678000000e-03  5.8827000000e-03  4.9658000000e-03 -1.7040000000e-03  2.5370000000e-04  5.0639000000e-03  7.1190000000e-03  4.5175000000e-03 -2.6920000000e-04  4.5788000000e-03  1.7631000000e-03 -6.5120000000e-04 -6.2901000000e-03 -8.5488000000e-03
-
-JOB 14
-COORDS -5.8951900000e-01  1.2241790000e+00 -1.1802600000e-01  1.2900000000e-01  1.6997400000e+00 -5.3492500000e-01 -1.2514700000e+00  1.1396880000e+00 -8.0425700000e-01  5.7283600000e-01 -1.2704000000e+00  2.4353700000e-01  1.3238650000e+00 -1.4915180000e+00 -3.0718400000e-01  7.0978000000e-02 -6.4228700000e-01 -2.7592800000e-01
-ENERGY -1.526553084668e+02
-FORCES  2.2790000000e-03  3.0568000000e-03 -3.6000000000e-04 -3.7321000000e-03 -4.0894000000e-03  1.1144000000e-03  5.6471000000e-03 -3.2644000000e-03  3.4264000000e-03 -3.9688000000e-03  9.9331000000e-03 -2.4310000000e-03 -2.9497000000e-03  2.8176000000e-03  1.4538000000e-03  2.7245000000e-03 -8.4537000000e-03 -3.2036000000e-03
-
-JOB 15
-COORDS  3.5157400000e-01  5.5384400000e-01 -1.2285540000e+00  9.7820100000e-01  1.1193030000e+00 -7.7708300000e-01 -4.7001400000e-01  1.0447060000e+00 -1.2118270000e+00 -3.4330600000e-01 -5.8703700000e-01  1.2533840000e+00 -6.8706700000e-01 -1.4645840000e+00  1.0861370000e+00  2.3419000000e-02 -3.0896600000e-01  4.1408600000e-01
-ENERGY -1.526602975415e+02
-FORCES -2.1293000000e-03  5.3867000000e-03  1.0084000000e-03 -4.7834000000e-03 -5.3979000000e-03 -1.8300000000e-05  4.8033000000e-03 -3.5644000000e-03  1.0079000000e-03  2.9688000000e-03  3.7710000000e-04 -1.2442300000e-02  7.6410000000e-04  2.9707000000e-03 -1.8600000000e-05 -1.6233000000e-03  2.2780000000e-04  1.0463000000e-02
-
-JOB 16
-COORDS  5.8270200000e-01 -1.3159840000e+00 -4.2222000000e-02 -2.5463800000e-01 -1.4947760000e+00  3.8571200000e-01  1.0626500000e+00 -7.7599200000e-01  5.8570300000e-01 -5.5658900000e-01  1.3158960000e+00  4.1483000000e-02 -1.0863480000e+00  1.7203390000e+00 -6.4554900000e-01 -1.5005500000e-01  5.6013600000e-01 -3.8253100000e-01
-ENERGY -1.526599925753e+02
-FORCES -1.7059000000e-03 -1.0280000000e-04  7.8648000000e-03  4.0137000000e-03  1.7834000000e-03 -3.6959000000e-03 -3.6711000000e-03 -7.1320000000e-04 -5.8270000000e-03  2.2591000000e-03 -5.7879000000e-03 -5.2355000000e-03  1.9412000000e-03 -2.7691000000e-03  1.9391000000e-03 -2.8369000000e-03  7.5896000000e-03  4.9545000000e-03
-
-JOB 17
-COORDS -9.1031000000e-02  1.2901570000e+00 -7.3172000000e-01 -6.6324700000e-01  1.2482870000e+00  3.4470000000e-02  2.5441600000e-01  4.0205000000e-01 -8.2207700000e-01  1.1054600000e-01 -1.1711990000e+00  6.5704000000e-01 -6.2112000000e-01 -1.7872210000e+00  6.1944200000e-01  7.3069200000e-01 -1.5720360000e+00  1.2661210000e+00
-ENERGY -1.526589168455e+02
-FORCES  3.8150000000e-04 -1.0452300000e-02  8.0612000000e-03 -5.3990000000e-04  3.0087000000e-03 -2.6243000000e-03 -1.1710000000e-04  4.3855000000e-03 -4.7404000000e-03  3.2300000000e-04 -1.9337000000e-03  1.6931000000e-03  3.5098000000e-03  3.5464000000e-03  4.1410000000e-04 -3.5573000000e-03  1.4453000000e-03 -2.8037000000e-03
-
-JOB 18
-COORDS -1.2638640000e+00  1.7254400000e-01 -6.9657200000e-01 -9.2002300000e-01  8.1998400000e-01 -1.3120620000e+00 -1.0609850000e+00  5.3128900000e-01  1.6735700000e-01  1.2545240000e+00 -2.8360300000e-01  7.2422100000e-01  4.9115900000e-01 -2.5484700000e-01  1.4743700000e-01  1.6656740000e+00  5.7462700000e-01  6.2112900000e-01
-ENERGY -1.526548998184e+02
-FORCES -9.1610000000e-04  5.6923000000e-03  8.7480000000e-04  1.4400000000e-04 -4.1224000000e-03  4.3529000000e-03  6.3038000000e-03 -5.5788000000e-03 -6.3062000000e-03 -4.1990000000e-03  8.2330000000e-04 -7.2002000000e-03  2.1362000000e-03  5.8708000000e-03  8.2727000000e-03 -3.4688000000e-03 -2.6852000000e-03  6.0000000000e-06
-
-JOB 19
-COORDS  9.8660200000e-01  7.1138700000e-01  6.4432900000e-01  1.4855740000e+00  2.0368200000e-01  1.2842450000e+00  1.6522540000e+00  1.1433260000e+00  1.0900800000e-01 -1.1135350000e+00 -6.7979000000e-01 -6.7637300000e-01 -4.4605900000e-01 -1.8198800000e-01 -2.0425000000e-01 -7.6723400000e-01 -1.5714230000e+00 -7.1239500000e-01
-ENERGY -1.526611045301e+02
-FORCES  3.0070000000e-03 -5.5340000000e-04 -7.8340000000e-04 -1.9865000000e-03  2.2136000000e-03 -4.0458000000e-03 -2.5616000000e-03 -2.7067000000e-03  3.4564000000e-03  9.7566000000e-03  3.7890000000e-03  5.5180000000e-03 -7.6506000000e-03 -5.3013000000e-03 -4.6383000000e-03 -5.6490000000e-04  2.5588000000e-03  4.9310000000e-04
-
-JOB 20
-COORDS  6.2816000000e-02 -1.5650000000e-02  1.5271950000e+00  4.7846100000e-01 -8.5216300000e-01  1.7362790000e+00 -2.0665300000e-01 -1.0345400000e-01  6.1291400000e-01 -4.3457000000e-02  8.6928000000e-02 -1.4294150000e+00 -5.8965500000e-01  5.8951700000e-01 -2.0338180000e+00  3.1969000000e-02 -7.7655800000e-01 -1.8355360000e+00
-ENERGY -1.526598498840e+02
-FORCES  8.2150000000e-04 -1.4795000000e-03 -8.7377000000e-03 -1.4262000000e-03  2.3393000000e-03 -1.2697000000e-03 -3.3570000000e-04 -2.2045000000e-03  9.7752000000e-03 -1.1378000000e-03  4.4120000000e-04 -4.9816000000e-03  2.8590000000e-03 -3.1176000000e-03  2.2354000000e-03 -7.8090000000e-04  4.0211000000e-03  2.9782000000e-03
-
-JOB 21
-COORDS -6.8037000000e-02 -1.1627090000e+00  8.7292900000e-01 -9.3239700000e-01 -1.5717270000e+00  8.3029500000e-01  5.3169800000e-01 -1.8347030000e+00  5.4892900000e-01  9.4547000000e-02  1.2921400000e+00 -8.4238500000e-01 -2.0108400000e-01  8.7694400000e-01 -1.6525990000e+00  1.9399400000e-01  5.6817600000e-01 -2.2414800000e-01
-ENERGY -1.526606885593e+02
-FORCES -2.4322000000e-03 -5.1522000000e-03  6.4100000000e-05  4.7188000000e-03  1.2263000000e-03 -3.2300000000e-04 -3.4600000000e-03  3.8633000000e-03  6.1150000000e-04 -1.3760000000e-03 -8.9021000000e-03  3.6097000000e-03  8.2340000000e-04  1.2003000000e-03  2.2461000000e-03  1.7260000000e-03  7.7644000000e-03 -6.2085000000e-03
-
-JOB 22
-COORDS  4.0103400000e-01  1.0193060000e+00  9.8327400000e-01  6.6736400000e-01  1.5790310000e+00  2.5388500000e-01 -2.8625900000e-01  1.5154050000e+00  1.4279590000e+00 -3.8310600000e-01 -1.1408830000e+00 -9.7601500000e-01 -9.2772000000e-02 -7.3275400000e-01 -1.6031300000e-01 -5.7112700000e-01 -4.0519600000e-01 -1.5588050000e+00
-ENERGY -1.526593790227e+02
-FORCES -1.4160000000e-03  5.6604000000e-03  3.8900000000e-05 -2.5526000000e-03 -3.6462000000e-03  2.6718000000e-03  3.4383000000e-03 -1.9789000000e-03 -2.7851000000e-03  1.4032000000e-03  7.8428000000e-03  5.4786000000e-03 -1.7085000000e-03 -5.9562000000e-03 -6.5070000000e-03  8.3560000000e-04 -1.9218000000e-03  1.1028000000e-03
-
-JOB 23
-COORDS -1.3366090000e+00 -4.0007900000e-01  5.7274800000e-01 -4.4943200000e-01 -2.6373200000e-01  9.0525300000e-01 -1.9041470000e+00 -2.6840000000e-03  1.2332100000e+00  1.2708630000e+00  4.1605100000e-01 -6.1591600000e-01  2.2086830000e+00  5.8964400000e-01 -5.3473600000e-01  1.2165350000e+00 -5.1689200000e-01 -8.2303300000e-01
-ENERGY -1.526567651216e+02
-FORCES  3.7525000000e-03  4.9899000000e-03  2.1547000000e-03 -5.4128000000e-03 -4.7003000000e-03  7.3250000000e-04  2.4247000000e-03 -1.2075000000e-03 -2.2596000000e-03  2.9818000000e-03 -2.8936000000e-03 -4.0461000000e-03 -4.6685000000e-03 -7.7770000000e-04  3.1100000000e-05  9.2220000000e-04  4.5893000000e-03  3.3873000000e-03
-
-JOB 24
-COORDS -6.8252200000e-01  1.3414730000e+00 -9.1675000000e-02  1.9377000000e-01  1.7266060000e+00 -9.5870000000e-02 -9.1743300000e-01  1.2694290000e+00 -1.0168010000e+00  6.0536500000e-01 -1.3897980000e+00  1.9506600000e-01  1.4139460000e+00 -1.6707830000e+00 -2.3327600000e-01  4.0877700000e-01 -5.3929600000e-01 -1.9765800000e-01
-ENERGY -1.526562148383e+02
-FORCES -5.9410000000e-04  5.4214000000e-03 -1.9551000000e-03 -3.7328000000e-03 -5.2428000000e-03 -9.3430000000e-04  3.1398000000e-03 -1.7216000000e-03  5.1033000000e-03 -1.5209000000e-03  5.2384000000e-03 -1.6463000000e-03 -3.3534000000e-03  2.6530000000e-03  1.2580000000e-03  6.0614000000e-03 -6.3484000000e-03 -1.8257000000e-03
-
-JOB 25
-COORDS  7.8258300000e-01 -4.9439100000e-01 -1.1940890000e+00 -1.3535400000e-01 -6.9465800000e-01 -1.3771630000e+00  9.8931500000e-01  2.3699900000e-01 -1.7759510000e+00 -7.7413700000e-01  5.1451100000e-01  1.1846340000e+00 -8.7568500000e-01  4.9140000000e-01  2.1361520000e+00 -1.9726700000e-01 -2.2328200000e-01  9.8685800000e-01
-ENERGY -1.526581727236e+02
-FORCES -3.2356000000e-03  5.3692000000e-03 -3.8265000000e-03  4.6238000000e-03 -1.8720000000e-04  2.1886000000e-03 -5.8560000000e-04 -3.7665000000e-03  1.1816000000e-03  4.5152000000e-03 -2.9185000000e-03  7.8990000000e-04  1.1932000000e-03 -2.1630000000e-04 -3.9454000000e-03 -6.5110000000e-03  1.7193000000e-03  3.6119000000e-03
-
-JOB 26
-COORDS -1.0075590000e+00 -1.4054700000e-01  1.0998730000e+00 -1.7118850000e+00  4.8899900000e-01  9.4551300000e-01 -1.4308460000e+00 -9.9620000000e-01  1.0297420000e+00  1.0613270000e+00  1.7894100000e-01 -1.1420210000e+00  4.6482800000e-01  2.8302000000e-02 -4.0872100000e-01  1.9230860000e+00 -6.5315000000e-02 -8.0446800000e-01
-ENERGY -1.526618851630e+02
-FORCES -6.7290000000e-03 -4.2340000000e-04  9.1430000000e-04  3.2479000000e-03 -3.6913000000e-03  6.8980000000e-04  2.2615000000e-03  4.4103000000e-03 -2.9500000000e-05 -2.4624000000e-03 -1.2848000000e-03  7.8207000000e-03  6.5800000000e-03  5.2000000000e-04 -8.4212000000e-03 -2.8981000000e-03  4.6920000000e-04 -9.7410000000e-04
-
-JOB 27
-COORDS  6.1379500000e-01 -5.7768500000e-01  1.3460140000e+00  5.3625400000e-01 -4.8052100000e-01  3.9692100000e-01  5.2621000000e-01  3.1266700000e-01  1.6863570000e+00 -5.9865300000e-01  5.3472700000e-01 -1.2528370000e+00  8.8801000000e-02  3.3805800000e-01 -1.8892010000e+00 -1.4123570000e+00  4.7992300000e-01 -1.7539500000e+00
-ENERGY -1.526582202111e+02
-FORCES -4.6664000000e-03  6.1491000000e-03 -5.7148000000e-03  5.6518000000e-03 -3.0290000000e-03  3.7394000000e-03  1.1549000000e-03 -3.1920000000e-03  3.9670000000e-04 -3.6744000000e-03 -4.3720000000e-04 -4.8699000000e-03 -2.6030000000e-03 -3.5540000000e-04  5.1041000000e-03  4.1370000000e-03  8.6450000000e-04  1.3446000000e-03
-
-JOB 28
-COORDS  1.4593620000e+00 -5.1986500000e-01  2.4305900000e-01  2.0998570000e+00  1.2738900000e-01 -5.2001000000e-02  7.2059400000e-01 -4.1720500000e-01 -3.5687000000e-01 -1.4389370000e+00  5.3160700000e-01 -1.4190400000e-01 -1.2024260000e+00  5.1687400000e-01 -1.0693080000e+00 -1.9186060000e+00 -2.8509900000e-01 -3.5590000000e-03
-ENERGY -1.526534218065e+02
-FORCES -4.2836000000e-03  5.5560000000e-03 -1.6252000000e-03 -2.6388000000e-03 -2.5450000000e-03  6.7570000000e-04  4.5717000000e-03 -2.8665000000e-03 -2.2000000000e-03 -3.6073000000e-03 -2.3957000000e-03 -1.0435000000e-03  2.8822000000e-03 -1.6028000000e-03  5.5409000000e-03  3.0759000000e-03  3.8540000000e-03 -1.3479000000e-03
-
-JOB 29
-COORDS -8.8433300000e-01  4.4419200000e-01 -1.1507940000e+00 -1.1829930000e+00  1.2711310000e+00 -1.5292200000e+00 -1.5275560000e+00  2.4548300000e-01 -4.7034400000e-01  9.9669800000e-01 -4.5249400000e-01  1.1306040000e+00  3.5194600000e-01 -3.5293900000e-01  4.3016400000e-01  5.2730900000e-01 -9.1493400000e-01  1.8249060000e+00
-ENERGY -1.526570000519e+02
-FORCES -3.8180000000e-03  5.8330000000e-03 -1.1039000000e-03  7.6000000000e-06 -4.2196000000e-03  1.3991000000e-03  6.3802000000e-03 -5.7140000000e-04 -1.2554000000e-03 -3.6353000000e-03  1.8650000000e-04 -3.9634000000e-03  5.5080000000e-04 -3.5126000000e-03  8.1983000000e-03  5.1460000000e-04  2.2840000000e-03 -3.2748000000e-03
-
-JOB 30
-COORDS -5.0599000000e-01 -3.6476000000e-02 -1.4809560000e+00  1.3263400000e-01 -2.8826500000e-01 -2.1480350000e+00  2.4133000000e-02  2.4792500000e-01 -7.3643100000e-01  4.9704800000e-01  5.8881000000e-02  1.4399660000e+00 -3.6854400000e-01  4.2490600000e-01  1.6216430000e+00  5.1299800000e-01 -7.6918400000e-01  1.9198470000e+00
-ENERGY -1.526599457611e+02
-FORCES  6.3640000000e-03 -4.0750000000e-04  3.9700000000e-03 -2.0484000000e-03  6.2710000000e-04  2.4294000000e-03 -5.0605000000e-03  1.4528000000e-03 -7.3480000000e-03 -3.8208000000e-03 -4.2090000000e-03  4.3521000000e-03  4.6394000000e-03 -1.5592000000e-03 -2.3015000000e-03 -7.3700000000e-05  4.0958000000e-03 -1.1020000000e-03
-
-JOB 31
-COORDS  7.9887400000e-01 -8.9995400000e-01  8.7514400000e-01  6.2747600000e-01 -1.8378810000e+00  7.9059800000e-01  1.2235240000e+00 -8.0953400000e-01  1.7282150000e+00 -7.9663200000e-01  9.9900900000e-01 -9.6303700000e-01 -1.6113250000e+00  5.0023800000e-01 -9.0193400000e-01 -2.4163700000e-01  6.3771200000e-01 -2.7189500000e-01
-ENERGY -1.526604034842e+02
-FORCES  1.7009000000e-03 -4.6289000000e-03  2.5788000000e-03  8.6130000000e-04  4.0950000000e-03  1.3866000000e-03 -2.0682000000e-03 -9.7590000000e-04 -3.9038000000e-03  1.8276000000e-03 -6.1511000000e-03  5.5666000000e-03  2.1733000000e-03  1.5479000000e-03 -7.4380000000e-04 -4.4950000000e-03  6.1130000000e-03 -4.8845000000e-03
-
-JOB 32
-COORDS -4.6506400000e-01 -7.1577600000e-01 -1.3081430000e+00 -1.4004720000e+00 -9.1843100000e-01 -1.3213270000e+00 -1.1140200000e-01 -1.2604190000e+00 -6.0492200000e-01  5.2122500000e-01  8.1189300000e-01  1.2568590000e+00  6.9283500000e-01  2.0891800000e-01  1.9801870000e+00 -1.3154300000e-01  3.6280800000e-01  7.1978400000e-01
-ENERGY -1.526547077763e+02
-FORCES -9.7400000000e-04 -5.1813000000e-03 -1.2053000000e-03  4.9199000000e-03  1.7832000000e-03  1.4572000000e-03 -3.3453000000e-03  5.5748000000e-03 -4.6480000000e-04 -2.8390000000e-03 -2.4468000000e-03 -2.2804000000e-03 -9.7260000000e-04  1.2997000000e-03 -4.1732000000e-03  3.2111000000e-03 -1.0296000000e-03  6.6664000000e-03
-
-JOB 33
-COORDS -1.0377960000e+00  2.1575700000e-01  1.1394220000e+00 -1.5744350000e+00 -4.6853100000e-01  1.5394230000e+00 -3.3706800000e-01  3.7199800000e-01  1.7725110000e+00  1.0169440000e+00 -1.7380300000e-01 -1.2662480000e+00  3.5303800000e-01 -1.9750900000e-01 -5.7711900000e-01  1.8380120000e+00 -3.7070000000e-01 -8.1534800000e-01
-ENERGY -1.526594457373e+02
-FORCES -2.4647000000e-03 -8.7690000000e-04  6.7322000000e-03  3.0397000000e-03  3.3826000000e-03 -1.5544000000e-03 -2.4164000000e-03 -1.9519000000e-03 -4.4046000000e-03 -3.0237000000e-03 -1.9100000000e-04  5.9669000000e-03  7.8788000000e-03 -1.2456000000e-03 -5.8598000000e-03 -3.0139000000e-03  8.8290000000e-04 -8.8030000000e-04
-
-JOB 34
-COORDS  5.6949500000e-01 -4.0117300000e-01  1.3791600000e+00  1.3523450000e+00 -1.0238400000e-01  1.8418720000e+00  3.1380000000e-02 -8.0993800000e-01  2.0570800000e+00 -6.2691400000e-01  4.3999100000e-01 -1.4210190000e+00  2.3294300000e-01  7.4723200000e-01 -1.7082150000e+00 -6.8403100000e-01 -4.5659300000e-01 -1.7513330000e+00
-ENERGY -1.526520293706e+02
-FORCES -6.9820000000e-04  3.3990000000e-04  4.4196000000e-03 -3.1655000000e-03 -1.0083000000e-03 -2.8550000000e-03  2.4657000000e-03  1.3287000000e-03 -3.0322000000e-03  5.4087000000e-03 -3.6857000000e-03  1.3144000000e-03 -3.4216000000e-03 -4.5150000000e-04 -1.7980000000e-04 -5.8910000000e-04  3.4768000000e-03  3.3300000000e-04
-
-JOB 35
-COORDS -5.5662500000e-01 -2.9577600000e-01  1.5621950000e+00 -1.2304200000e+00  3.1798300000e-01  1.2697370000e+00  2.3199000000e-01 -2.9537000000e-02  1.0895050000e+00  6.0327500000e-01  2.7544100000e-01 -1.4776630000e+00  3.4907500000e-01 -6.3752200000e-01 -1.6122440000e+00  2.9468000000e-02  7.7273600000e-01 -2.0604800000e+00
-ENERGY -1.526583325792e+02
-FORCES  1.8432000000e-03  5.2231000000e-03 -5.5675000000e-03  1.2160000000e-03 -2.5172000000e-03  1.7351000000e-03 -3.0642000000e-03 -2.8020000000e-03  5.1184000000e-03 -3.5417000000e-03 -2.2661000000e-03 -4.6727000000e-03  1.4056000000e-03  4.6075000000e-03  6.5170000000e-04  2.1411000000e-03 -2.2453000000e-03  2.7350000000e-03
-
-JOB 36
-COORDS -1.2221740000e+00 -2.0549900000e-01 -1.0628780000e+00 -1.7554960000e+00 -9.4638800000e-01 -7.7498500000e-01 -6.0588300000e-01 -5.8296500000e-01 -1.6905220000e+00  1.2543350000e+00  2.0804200000e-01  1.0776010000e+00  1.5626770000e+00  1.0388090000e+00  1.4395160000e+00  3.5850100000e-01  3.8820300000e-01  7.9254800000e-01
-ENERGY -1.526596403348e+02
-FORCES -5.8900000000e-05 -5.7764000000e-03 -3.9661000000e-03  2.5614000000e-03  3.4691000000e-03 -9.5220000000e-04 -3.5527000000e-03  1.6435000000e-03  2.6074000000e-03 -4.2813000000e-03  3.6733000000e-03 -1.2668000000e-03 -1.3589000000e-03 -2.9469000000e-03 -1.5091000000e-03  6.6904000000e-03 -6.2600000000e-05  5.0868000000e-03
-
-JOB 37
-COORDS  2.6911500000e-01 -5.1478500000e-01  1.5839740000e+00  5.0562300000e-01 -3.9456600000e-01  6.6427600000e-01  1.0818450000e+00 -3.5478200000e-01  2.0636620000e+00 -2.7231100000e-01  5.0230000000e-01 -1.5414910000e+00 -7.3380500000e-01  4.4356300000e-01 -2.3780340000e+00 -9.6433900000e-01  4.5555700000e-01 -8.8183700000e-01
-ENERGY -1.526585893901e+02
-FORCES  5.7398000000e-03  1.0151000000e-03 -2.3508000000e-03 -3.3929000000e-03 -3.1220000000e-04  6.4292000000e-03 -3.0062000000e-03 -8.8070000000e-04 -1.6940000000e-03 -5.9878000000e-03  4.1640000000e-04 -2.9063000000e-03  1.4029000000e-03  7.6430000000e-04  3.5982000000e-03  5.2442000000e-03 -1.0029000000e-03 -3.0763000000e-03
-
-JOB 38
-COORDS -1.0403880000e+00  1.1183010000e+00  8.0221100000e-01 -1.2787660000e+00  5.2675400000e-01  8.8433000000e-02 -3.5435100000e-01  1.6748660000e+00  4.3367400000e-01  1.0061620000e+00 -1.0694240000e+00 -7.7965800000e-01  5.6539100000e-01 -1.3581210000e+00  1.9471000000e-02  1.7045130000e+00 -1.7102360000e+00 -9.1343300000e-01
-ENERGY -1.526573008599e+02
-FORCES  2.8195000000e-03  8.8340000000e-04 -6.2341000000e-03  2.5240000000e-04  1.2090000000e-03  4.5945000000e-03 -3.4690000000e-03 -1.1700000000e-03  2.4616000000e-03  2.0821000000e-03 -4.3252000000e-03  3.2041000000e-03  1.1641000000e-03  7.5140000000e-04 -4.9886000000e-03 -2.8491000000e-03  2.6514000000e-03  9.6250000000e-04
-
-JOB 39
-COORDS  3.2840300000e-01  1.0181960000e+00 -1.3548210000e+00 -2.9453400000e-01  1.2016430000e+00 -6.5159500000e-01  1.0954690000e+00  1.5491470000e+00 -1.1405000000e+00 -2.9548500000e-01 -1.0016510000e+00  1.3318230000e+00 -2.6624500000e-01 -1.3507380000e+00  4.4102800000e-01 -9.5236800000e-01 -1.5363830000e+00  1.7776910000e+00
-ENERGY -1.526578696612e+02
-FORCES  9.7510000000e-04  3.6805000000e-03  5.1434000000e-03  2.2634000000e-03 -4.7380000000e-04 -4.8608000000e-03 -3.0244000000e-03 -1.7520000000e-03 -1.3616000000e-03 -1.3340000000e-03 -4.8316000000e-03 -2.1417000000e-03 -1.4934000000e-03  1.0562000000e-03  5.3479000000e-03  2.6134000000e-03  2.3207000000e-03 -2.1272000000e-03
-
-JOB 40
-COORDS  6.2569500000e-01 -1.5332940000e+00 -3.5451300000e-01 -2.9013600000e-01 -1.2577410000e+00 -3.9396500000e-01  6.4071600000e-01 -2.3807160000e+00 -7.9935200000e-01 -6.1196600000e-01  1.5477160000e+00  3.3776100000e-01 -8.0017700000e-01  2.2246050000e+00  9.8786100000e-01  2.7686300000e-01  1.2580010000e+00  5.4338600000e-01
-ENERGY -1.526582860330e+02
-FORCES -4.2882000000e-03 -2.4459000000e-03 -2.4972000000e-03  5.2118000000e-03 -2.8596000000e-03  1.0380000000e-04 -4.6860000000e-04  3.2272000000e-03  1.7411000000e-03  3.7758000000e-03  2.3228000000e-03  3.6163000000e-03  1.0371000000e-03 -2.5830000000e-03 -2.5902000000e-03 -5.2678000000e-03  2.3385000000e-03 -3.7380000000e-04
-
-JOB 41
-COORDS -8.0123500000e-01 -1.3803190000e+00 -5.2277500000e-01 -1.5212780000e+00 -8.5403100000e-01 -8.7032600000e-01 -1.2139750000e+00 -2.1980870000e+00 -2.4504800000e-01  8.3382600000e-01  1.4035060000e+00  5.8694900000e-01  7.8914100000e-01  2.0292940000e+00 -1.3597800000e-01  1.3953780000e+00  7.0013100000e-01  2.6113400000e-01
-ENERGY -1.526549050489e+02
-FORCES -5.4045000000e-03 -4.5600000000e-05  7.8630000000e-04  2.7362000000e-03 -2.8294000000e-03  4.0100000000e-04  1.7644000000e-03  3.3741000000e-03 -1.1315000000e-03  1.6748000000e-03 -2.9493000000e-03 -4.5148000000e-03 -3.5870000000e-04 -2.2693000000e-03  2.7275000000e-03 -4.1220000000e-04  4.7195000000e-03  1.7316000000e-03
-
-JOB 42
-COORDS  1.0229200000e-01 -1.3908250000e+00 -9.6632700000e-01  4.4148100000e-01 -2.2397760000e+00 -6.8266200000e-01  8.3310400000e-01 -9.8367800000e-01 -1.4314910000e+00 -1.4112900000e-01  1.4139020000e+00  1.0382810000e+00 -2.3921200000e-01  2.1719350000e+00  4.6208900000e-01 -3.9687700000e-01  6.6668200000e-01  4.9746000000e-01
-ENERGY -1.526587931720e+02
-FORCES  5.4338000000e-03 -4.3195000000e-03 -1.1780000000e-03 -1.2180000000e-03  3.5417000000e-03 -1.9011000000e-03 -3.7741000000e-03 -1.2951000000e-03  2.1908000000e-03 -2.1322000000e-03 -2.2172000000e-03 -4.7798000000e-03  8.0180000000e-04 -2.8625000000e-03  1.8478000000e-03  8.8870000000e-04  7.1526000000e-03  3.8204000000e-03
-
-JOB 43
-COORDS  7.3665800000e-01  6.2282600000e-01  1.5117920000e+00  9.0896100000e-01  1.3246150000e+00  8.8406900000e-01  8.8173000000e-02  6.7544000000e-02  1.0789400000e+00 -7.4993200000e-01 -6.1074500000e-01 -1.5072320000e+00 -1.0003740000e+00 -7.7244900000e-01 -5.9763700000e-01  1.8360600000e-01 -8.1972100000e-01 -1.5398960000e+00
-ENERGY -1.526526875894e+02
-FORCES -2.2896000000e-03  2.4754000000e-03 -4.8082000000e-03  2.9300000000e-05 -3.3348000000e-03  3.2466000000e-03  1.4620000000e-03 -4.6520000000e-04  7.1570000000e-04  2.4292000000e-03 -3.4927000000e-03  1.7933000000e-03  3.0836000000e-03  2.9939000000e-03 -1.6415000000e-03 -4.7145000000e-03  1.8234000000e-03  6.9410000000e-04
-
-JOB 44
-COORDS  1.3134640000e+00  8.4829500000e-01 -7.8234000000e-01  1.9811640000e+00  5.6677700000e-01 -1.4077640000e+00  4.9385900000e-01  8.1656600000e-01 -1.2757690000e+00 -1.3034980000e+00 -7.8479200000e-01  8.9004200000e-01 -9.5734100000e-01 -7.5630700000e-01 -1.9190000000e-03 -1.7116440000e+00 -1.6476500000e+00  9.6163100000e-01
-ENERGY -1.526526906434e+02
-FORCES  6.3060000000e-04  4.4120000000e-04 -4.6590000000e-03 -3.1103000000e-03  1.0924000000e-03  2.9107000000e-03  2.6470000000e-03 -2.2744000000e-03  2.9753000000e-03  1.3466000000e-03 -3.5453000000e-03 -2.8521000000e-03 -3.3412000000e-03  6.4720000000e-04  1.8767000000e-03  1.8272000000e-03  3.6388000000e-03 -2.5160000000e-04
-
-JOB 45
-COORDS  1.2813500000e-01  8.2515900000e-01 -1.5928180000e+00 -4.9847400000e-01  1.4933870000e+00 -1.3152110000e+00 -3.6936900000e-01  7.5930000000e-03 -1.5752930000e+00 -6.7975000000e-02 -8.8178700000e-01  1.5704530000e+00  6.4727800000e-01 -3.0650000000e-01  1.2989950000e+00 -7.2061400000e-01 -2.9175700000e-01  1.9474920000e+00
-ENERGY -1.526565619005e+02
-FORCES -5.4685000000e-03 -1.7114000000e-03  2.6950000000e-04  2.8681000000e-03 -2.5537000000e-03 -4.3940000000e-04  2.2397000000e-03  4.4071000000e-03 -1.0044000000e-03  1.6791000000e-03  5.3069000000e-03  5.0320000000e-04 -3.4850000000e-03 -3.1062000000e-03  2.6563000000e-03  2.1666000000e-03 -2.3428000000e-03 -1.9852000000e-03
-
-JOB 46
-COORDS -1.6271090000e+00 -4.1026900000e-01 -6.4924500000e-01 -1.2137160000e+00 -9.9642100000e-01 -1.2830930000e+00 -1.4035720000e+00  4.6907900000e-01 -9.5421800000e-01  1.6410430000e+00  4.5760800000e-01  6.9146900000e-01  1.8773350000e+00 -4.4085700000e-01  9.2203300000e-01  7.0221800000e-01  4.1948600000e-01  5.0874500000e-01
-ENERGY -1.526568584816e+02
-FORCES -4.2880000000e-04  4.5450000000e-04 -6.4507000000e-03 -1.4708000000e-03  2.7208000000e-03  3.5475000000e-03  5.9910000000e-04 -4.3599000000e-03  3.1776000000e-03 -4.2203000000e-03 -4.8263000000e-03  1.3123000000e-03 -2.1580000000e-04  3.5004000000e-03 -1.1686000000e-03  5.7365000000e-03  2.5105000000e-03 -4.1800000000e-04
-
-JOB 47
-COORDS  1.5622390000e+00 -8.8732800000e-01 -1.9715000000e-02  1.9467050000e+00 -1.7618800000e+00 -7.9527000000e-02  7.3888200000e-01 -9.5354200000e-01 -5.0337900000e-01 -1.5769280000e+00  8.8459400000e-01  2.4096000000e-02 -7.6171200000e-01  1.2312220000e+00 -3.3853800000e-01 -1.7317820000e+00  1.4084120000e+00  8.1014000000e-01
-ENERGY -1.526562762398e+02
-FORCES -2.5382000000e-03 -4.8683000000e-03 -1.5559000000e-03 -1.5600000000e-03  3.4194000000e-03  2.7520000000e-04  5.1382000000e-03  1.3704000000e-03  8.4480000000e-04  2.7949000000e-03  4.6643000000e-03  3.3902000000e-03 -3.8835000000e-03 -2.8755000000e-03  5.2690000000e-04  4.8600000000e-05 -1.7104000000e-03 -3.4812000000e-03
-
-JOB 48
-COORDS -1.3850100000e-01  1.3633690000e+00 -1.2275620000e+00 -4.7997700000e-01  1.9515920000e+00 -1.9010750000e+00 -1.9477800000e-01  4.9176500000e-01 -1.6191880000e+00  1.3131500000e-01 -1.3854300000e+00  1.2447270000e+00  5.3206500000e-01 -1.6365860000e+00  2.0769240000e+00  2.7222100000e-01 -4.4047900000e-01  1.1860230000e+00
-ENERGY -1.526572721994e+02
-FORCES -2.1285000000e-03 -8.4040000000e-04 -5.3301000000e-03  1.4365000000e-03 -2.5475000000e-03  2.4012000000e-03  4.0300000000e-04  4.5362000000e-03  1.7416000000e-03  2.0945000000e-03  3.6442000000e-03  3.3916000000e-03 -1.5930000000e-03  1.0355000000e-03 -3.1402000000e-03 -2.1240000000e-04 -5.8280000000e-03  9.3600000000e-04
-
-JOB 49
-COORDS  9.7056000000e-01  1.8835700000e-01  1.6409860000e+00  3.1595700000e-01  9.4772000000e-02  9.4891000000e-01  1.5847640000e+00 -5.2991300000e-01  1.4890870000e+00 -1.0019460000e+00 -1.0828000000e-01 -1.5469370000e+00 -1.3794080000e+00 -7.8104400000e-01 -2.1136310000e+00 -8.4031000000e-02 -5.7288000000e-02 -1.8135130000e+00
-ENERGY -1.526567043454e+02
-FORCES -1.9627000000e-03 -3.3658000000e-03 -3.2956000000e-03  5.5351000000e-03  7.2030000000e-04  4.0219000000e-03 -2.1012000000e-03  2.9205000000e-03  1.8930000000e-04  4.6910000000e-04 -2.4483000000e-03 -5.9713000000e-03  1.9664000000e-03  3.0526000000e-03  2.1798000000e-03 -3.9067000000e-03 -8.7940000000e-04  2.8759000000e-03
-
-JOB 50
-COORDS -4.4749400000e-01 -1.6712820000e+00  7.2734000000e-01 -2.5265800000e-01 -2.1558590000e+00  1.5294970000e+00  8.1846000000e-02 -8.7643700000e-01  7.9255600000e-01  4.1709500000e-01  1.7016300000e+00 -8.1638700000e-01 -4.1240500000e-01  1.4421430000e+00 -4.1535200000e-01  1.0694040000e+00  1.1321580000e+00 -4.0843300000e-01
-ENERGY -1.526527084282e+02
-FORCES  2.9878000000e-03 -1.9330000000e-04  4.2458000000e-03 -7.9890000000e-04  2.2058000000e-03 -3.7065000000e-03 -2.1768000000e-03 -1.6378000000e-03 -1.1009000000e-03 -1.2566000000e-03 -2.7263000000e-03  1.6920000000e-03  5.0145000000e-03  8.8510000000e-04 -8.5440000000e-04 -3.7701000000e-03  1.4664000000e-03 -2.7610000000e-04
-
-JOB 51
-COORDS  1.2659000000e-01  1.1322180000e+00  1.4973970000e+00  4.1919000000e-02  6.0651700000e-01  2.2928220000e+00  1.0182890000e+00  9.6433800000e-01  1.1925680000e+00 -1.4628100000e-01 -1.1103550000e+00 -1.5781140000e+00 -1.0418190000e+00 -1.2758110000e+00 -1.2833820000e+00  2.3078800000e-01 -5.5188600000e-01 -8.9828700000e-01
-ENERGY -1.526557772348e+02
-FORCES  3.7341000000e-03 -9.3890000000e-04  4.6968000000e-03  2.9290000000e-04  2.1961000000e-03 -3.9122000000e-03 -5.0062000000e-03 -6.2520000000e-04 -2.7340000000e-04 -3.4258000000e-03  2.9872000000e-03  4.7680000000e-03  3.4420000000e-03 -3.0900000000e-04 -1.7127000000e-03  9.6300000000e-04 -3.3102000000e-03 -3.5665000000e-03
-
-JOB 52
-COORDS  1.6160980000e+00  7.9164300000e-01 -4.9040700000e-01  1.4894000000e+00 -1.4857000000e-01 -6.1760700000e-01  2.4656030000e+00  9.7572300000e-01 -8.9126600000e-01 -1.6262340000e+00 -7.4031200000e-01  4.7306700000e-01 -1.2999630000e+00 -9.2206100000e-01  1.3543990000e+00 -2.5764680000e+00 -6.8689800000e-01  5.7521400000e-01
-ENERGY -1.526545154851e+02
-FORCES  1.6385000000e-03 -3.6285000000e-03 -2.6352000000e-03  2.3840000000e-03  3.9257000000e-03  8.8080000000e-04 -3.5499000000e-03 -6.2780000000e-04  1.6512000000e-03 -3.0392000000e-03  7.4800000000e-04  4.2649000000e-03 -1.2534000000e-03 -2.5000000000e-05 -3.8858000000e-03  3.8200000000e-03 -3.9230000000e-04 -2.7580000000e-04
-
-JOB 53
-COORDS  8.1929000000e-02  1.3147440000e+00  1.2613640000e+00 -5.5836000000e-02  9.1396700000e-01  2.1196370000e+00  3.3527500000e-01  2.2171090000e+00  1.4557470000e+00 -4.8904000000e-02 -1.3932990000e+00 -1.2990210000e+00 -4.0272000000e-01 -6.0269500000e-01 -8.9160300000e-01 -3.8061200000e-01 -1.3697600000e+00 -2.1965990000e+00
-ENERGY -1.526571061619e+02
-FORCES  1.5284000000e-03  2.6589000000e-03  5.2283000000e-03  3.2360000000e-04  2.0700000000e-03 -3.6329000000e-03 -1.1825000000e-03 -3.7370000000e-03 -4.2800000000e-04 -2.2562000000e-03  4.6526000000e-03 -8.1050000000e-04  3.1150000000e-04 -5.5637000000e-03 -3.6852000000e-03  1.2752000000e-03 -8.0900000000e-05  3.3283000000e-03
-
-JOB 54
-COORDS -9.6954500000e-01  4.4871500000e-01 -1.6485330000e+00 -7.5605200000e-01 -4.7329400000e-01 -1.5051740000e+00 -1.4013300000e-01  9.0954600000e-01 -1.5222710000e+00  8.8387500000e-01 -4.6305100000e-01  1.5869430000e+00  1.1094890000e+00 -6.7796200000e-01  2.4920090000e+00  1.1556280000e+00  4.4873100000e-01  1.4818950000e+00
-ENERGY -1.526550310313e+02
-FORCES  4.4686000000e-03 -3.0998000000e-03  2.3579000000e-03 -1.3773000000e-03  3.9061000000e-03 -2.1566000000e-03 -3.1097000000e-03 -8.3940000000e-04 -5.3180000000e-04  1.5940000000e-03  2.8973000000e-03  4.5268000000e-03 -8.7990000000e-04  1.0054000000e-03 -3.7830000000e-03 -6.9580000000e-04 -3.8697000000e-03 -4.1320000000e-04
-
-JOB 55
-COORDS  7.6148800000e-01  1.7881290000e+00 -1.0285500000e-01 -2.6458000000e-02  2.3310540000e+00 -7.8227000000e-02  6.1425500000e-01  1.1843660000e+00 -8.3088300000e-01 -6.6484300000e-01 -1.8281820000e+00  1.1246000000e-01 -1.2180470000e+00 -1.1359290000e+00 -2.4945400000e-01 -8.4782200000e-01 -1.8150910000e+00  1.0519170000e+00
-ENERGY -1.526539975965e+02
-FORCES -2.4882000000e-03 -5.6650000000e-04 -3.2337000000e-03  2.8279000000e-03 -2.8824000000e-03  9.0400000000e-05 -4.6640000000e-04  3.4371000000e-03  2.9040000000e-03 -2.6536000000e-03  2.9970000000e-03  3.8620000000e-03  2.6031000000e-03 -2.3468000000e-03  4.3650000000e-04  1.7720000000e-04 -6.3840000000e-04 -4.0592000000e-03
-
-JOB 56
-COORDS -1.7682910000e+00 -4.6096300000e-01  9.9416800000e-01 -8.6335000000e-01 -3.4475000000e-01  7.0467100000e-01 -2.0159670000e+00 -1.3255180000e+00  6.6639500000e-01  1.7229340000e+00  4.4916500000e-01 -9.2314800000e-01  2.1575000000e+00  5.2873700000e-01 -1.7722960000e+00  1.4598120000e+00  1.3429030000e+00 -7.0352900000e-01
-ENERGY -1.526566246769e+02
-FORCES  3.6489000000e-03 -3.4579000000e-03 -3.0421000000e-03 -5.1656000000e-03  2.6550000000e-04  2.3410000000e-03  4.9910000000e-04  3.2565000000e-03  1.4381000000e-03  2.0305000000e-03  4.3887000000e-03 -3.7032000000e-03 -1.6498000000e-03 -7.0700000000e-05  3.6022000000e-03  6.3680000000e-04 -4.3821000000e-03 -6.3600000000e-04
-
-JOB 57
-COORDS -1.2054820000e+00  9.3902800000e-01  1.3147310000e+00 -2.0101500000e+00  1.3752690000e+00  1.0346690000e+00 -7.9267700000e-01  1.5595190000e+00  1.9154110000e+00  1.2727980000e+00 -1.0216790000e+00 -1.3120670000e+00  3.9864300000e-01 -1.3831350000e+00 -1.1656640000e+00  1.1384160000e+00 -3.1852000000e-01 -1.9474740000e+00
-ENERGY -1.526545713230e+02
-FORCES -8.9900000000e-04  4.6070000000e-03  2.1603000000e-03  3.4103000000e-03 -2.0391000000e-03  7.0500000000e-04 -2.1534000000e-03 -2.3543000000e-03 -2.4376000000e-03 -5.1113000000e-03  2.1587000000e-03 -5.1620000000e-04  3.8554000000e-03  4.9560000000e-04 -1.8001000000e-03  8.9800000000e-04 -2.8678000000e-03  1.8886000000e-03
-
-JOB 58
-COORDS -1.4618300000e-01  2.0572230000e+00  4.3670400000e-01  6.7982300000e-01  1.8262750000e+00  8.6168600000e-01  5.0815000000e-02  2.0333300000e+00 -4.9970000000e-01  1.4131900000e-01 -2.0145190000e+00 -4.4573000000e-01 -3.4380100000e-01 -1.6059240000e+00  2.7116700000e-01 -2.2121400000e-01 -2.8982320000e+00 -5.0781300000e-01
-ENERGY -1.526558921880e+02
-FORCES  4.7245000000e-03 -5.4820000000e-04 -2.8737000000e-03 -3.7640000000e-03  8.0340000000e-04 -1.3100000000e-03 -1.0120000000e-03  6.1880000000e-04  4.1241000000e-03 -4.0028000000e-03 -1.8830000000e-03  2.7484000000e-03  2.6154000000e-03 -2.5498000000e-03 -2.9816000000e-03  1.4389000000e-03  3.5588000000e-03  2.9270000000e-04
-
-JOB 59
-COORDS -2.8966200000e-01 -5.9945300000e-01  2.0892610000e+00  5.3130200000e-01 -1.0981400000e-01  2.0392280000e+00 -5.9582700000e-01 -4.6364300000e-01  2.9859500000e+00  2.5588000000e-01  5.9438900000e-01 -2.0923050000e+00  1.7075500000e-01  9.0186500000e-01 -2.9947700000e+00  3.8449900000e-01 -3.5078300000e-01 -2.1719210000e+00
-ENERGY -1.526543312566e+02
-FORCES  2.0219000000e-03  3.3403000000e-03  2.9216000000e-03 -3.1481000000e-03 -2.5646000000e-03  8.3830000000e-04  1.2241000000e-03 -6.2780000000e-04 -3.5485000000e-03 -4.5660000000e-04 -3.0637000000e-03 -3.7397000000e-03  3.7240000000e-04 -1.1892000000e-03  3.6637000000e-03 -1.3800000000e-05  4.1050000000e-03 -1.3540000000e-04
-
-JOB 60
-COORDS  1.2774600000e-01  4.6061900000e-01 -2.2750460000e+00  4.6776400000e-01  1.0468840000e+00 -1.5990920000e+00 -6.7773000000e-02 -3.5323400000e-01 -1.8106680000e+00 -1.6983900000e-01 -4.0957100000e-01  2.1694180000e+00  7.7427600000e-01 -4.8117500000e-01  2.3099620000e+00 -5.4816200000e-01 -1.0851610000e+00  2.7321640000e+00
-ENERGY -1.526554198411e+02
-FORCES -1.6970000000e-04 -8.6650000000e-04  5.6635000000e-03 -6.7430000000e-04 -2.0502000000e-03 -3.3297000000e-03  1.1688000000e-03  2.9044000000e-03 -2.8472000000e-03  1.8865000000e-03 -3.1334000000e-03  4.0999000000e-03 -3.9631000000e-03  3.7440000000e-04 -1.1774000000e-03  1.7517000000e-03  2.7713000000e-03 -2.4091000000e-03
-
-JOB 61
-COORDS  3.8149200000e-01 -1.4105850000e+00 -1.6649850000e+00 -6.5894000000e-02 -2.2540690000e+00 -1.7328970000e+00  1.2853860000e+00 -1.5972440000e+00 -1.9186910000e+00 -4.0949200000e-01  1.4885010000e+00  1.7519490000e+00  1.5431300000e-01  8.2406400000e-01  1.3558690000e+00 -9.3883200000e-01  1.8179990000e+00  1.0256820000e+00
-ENERGY -1.526559871653e+02
-FORCES  1.7504000000e-03 -4.8939000000e-03 -2.1006000000e-03  2.0037000000e-03  3.5414000000e-03  2.3560000000e-04 -3.7936000000e-03  8.4840000000e-04  1.2835000000e-03  1.5550000000e-04 -2.0420000000e-03 -5.4694000000e-03 -1.9170000000e-03  3.2602000000e-03  2.7636000000e-03  1.8010000000e-03 -7.1410000000e-04  3.2873000000e-03
-
-JOB 62
-COORDS  4.2165500000e-01 -2.3189730000e+00 -3.9322500000e-01  1.8776200000e-01 -1.4103450000e+00 -2.0369800000e-01 -2.3736600000e-01 -2.6099640000e+00 -1.0235000000e+00 -3.3022200000e-01  2.2276400000e+00  4.1475900000e-01 -3.4891100000e-01  2.9441530000e+00  1.0491820000e+00 -1.0295860000e+00  2.4369770000e+00 -2.0435300000e-01
-ENERGY -1.526553769018e+02
-FORCES -3.3361000000e-03  3.3270000000e-03 -1.3499000000e-03  6.8730000000e-04 -4.9986000000e-03 -1.3258000000e-03  2.5136000000e-03  1.0776000000e-03  2.3905000000e-03 -2.6096000000e-03  4.7980000000e-03  5.8380000000e-04 -1.1150000000e-04 -2.8300000000e-03 -2.8105000000e-03  2.8564000000e-03 -1.3740000000e-03  2.5118000000e-03
-
-JOB 63
-COORDS -5.0160700000e-01  6.7899400000e-01  2.3578040000e+00 -3.1087200000e-01 -6.6390000000e-02  1.7883700000e+00 -9.8802700000e-01  1.2875600000e+00  1.8016780000e+00  4.8335100000e-01 -6.1536500000e-01 -2.2723440000e+00  1.2284330000e+00 -6.2117900000e-01 -2.8732200000e+00  2.9885200000e-01 -1.5404570000e+00 -2.1098690000e+00
-ENERGY -1.526550406116e+02
-FORCES -8.8020000000e-04 -3.2240000000e-04 -5.4358000000e-03 -9.6590000000e-04  2.4867000000e-03  3.0184000000e-03  1.6536000000e-03 -2.2927000000e-03  2.7560000000e-03  2.7179000000e-03 -3.7344000000e-03 -2.6476000000e-03 -3.1762000000e-03 -1.1800000000e-04  2.4499000000e-03  6.5070000000e-04  3.9808000000e-03 -1.4090000000e-04
-
-JOB 64
-COORDS  1.8035720000e+00  1.1324450000e+00 -1.3182990000e+00  9.8950300000e-01  9.7979800000e-01 -8.3848400000e-01  1.5803150000e+00  9.5552400000e-01 -2.2321300000e+00 -1.7964450000e+00 -1.0703360000e+00  1.3265400000e+00 -1.2354770000e+00 -9.6882600000e-01  2.0954620000e+00 -1.5141800000e+00 -1.8948850000e+00  9.3071600000e-01
-ENERGY -1.526551609770e+02
-FORCES -4.7074000000e-03 -1.0434000000e-03 -1.7515000000e-03  4.0887000000e-03  5.7430000000e-04 -2.0749000000e-03  1.0594000000e-03  5.9910000000e-04  3.6127000000e-03  2.8467000000e-03 -3.6441000000e-03  2.3799000000e-03 -2.2412000000e-03 -2.2970000000e-04 -3.5284000000e-03 -1.0462000000e-03  3.7438000000e-03  1.3622000000e-03
-
-JOB 65
-COORDS -1.3931300000e-01  2.2244890000e+00  1.2246770000e+00 -7.1173200000e-01  2.2160400000e+00  4.5754100000e-01  2.1335400000e-01  1.3358190000e+00  1.2707590000e+00  1.9269200000e-01 -2.1812670000e+00 -1.2306590000e+00  3.1768100000e-01 -2.0243690000e+00 -2.9471500000e-01 -7.5696400000e-01 -2.2267130000e+00 -1.3416580000e+00
-ENERGY -1.526536827160e+02
-FORCES -5.1300000000e-04 -3.2579000000e-03 -3.4286000000e-03  2.1237000000e-03 -9.1500000000e-05  3.4603000000e-03 -1.7380000000e-03  3.1532000000e-03  1.2730000000e-04 -3.3474000000e-03 -6.9860000000e-04  3.0603000000e-03 -5.9410000000e-04  2.8590000000e-04 -3.8135000000e-03  4.0688000000e-03  6.0890000000e-04  5.9420000000e-04
-
-JOB 66
-COORDS  1.7131540000e+00 -1.8085430000e+00 -3.8855500000e-01  1.0506620000e+00 -1.2530440000e+00 -7.9935700000e-01  2.5377250000e+00 -1.3435710000e+00 -5.3038700000e-01 -1.7148500000e+00  1.7668630000e+00  3.5207300000e-01 -1.3196050000e+00  2.2208810000e+00  1.0963050000e+00 -2.2198420000e+00  1.0553210000e+00  7.4567700000e-01
-ENERGY -1.526551658517e+02
-FORCES  4.6310000000e-04  4.5136000000e-03 -2.5126000000e-03  2.9598000000e-03 -2.8759000000e-03  1.7522000000e-03 -3.1625000000e-03 -1.9666000000e-03  6.6990000000e-04 -9.2470000000e-04 -7.3960000000e-04  5.1321000000e-03 -1.5567000000e-03 -1.8454000000e-03 -3.1902000000e-03  2.2209000000e-03  2.9138000000e-03 -1.8514000000e-03
-
-JOB 67
-COORDS  8.0240500000e-01 -1.5392880000e+00  1.8053200000e+00  1.0747700000e+00 -2.2884810000e+00  1.2754520000e+00 -1.3410500000e-01 -1.6750270000e+00  1.9493890000e+00 -8.1092000000e-01  1.5802580000e+00 -1.7340070000e+00 -3.0453700000e-01  2.3775700000e+00 -1.8892560000e+00 -5.0433700000e-01  9.6731500000e-01 -2.4022430000e+00
-ENERGY -1.526539210493e+02
-FORCES -3.2025000000e-03 -3.0844000000e-03 -1.7863000000e-03 -9.4620000000e-04  2.9669000000e-03  2.0678000000e-03  3.9784000000e-03  1.1170000000e-04 -3.0970000000e-04  3.8465000000e-03  7.9820000000e-04 -2.9131000000e-03 -2.2224000000e-03 -3.1618000000e-03  3.9230000000e-04 -1.4539000000e-03  2.3693000000e-03  2.5491000000e-03
-
-JOB 68
-COORDS -9.9197800000e-01 -1.4628870000e+00 -1.8706640000e+00 -8.9844900000e-01 -1.0777700000e+00 -2.7419670000e+00 -4.7369600000e-01 -8.9506600000e-01 -1.3004060000e+00  9.4762000000e-01  1.4208910000e+00  1.8185880000e+00  1.7615820000e+00  1.3790520000e+00  2.3205330000e+00  2.6088700000e-01  1.2354850000e+00  2.4590990000e+00
-ENERGY -1.526554161500e+02
-FORCES  2.7773000000e-03  4.2769000000e-03 -8.8300000000e-04 -4.4780000000e-04 -1.6587000000e-03  3.3107000000e-03 -2.5280000000e-03 -2.9107000000e-03 -2.8181000000e-03  6.8190000000e-04 -5.9020000000e-04  5.2524000000e-03 -3.3946000000e-03  1.7950000000e-04 -2.0679000000e-03  2.9112000000e-03  7.0320000000e-04 -2.7940000000e-03
-
-JOB 69
-COORDS  1.6113620000e+00 -3.2012700000e-01 -1.9794770000e+00  1.6545540000e+00 -1.2736090000e+00 -1.9070960000e+00  2.3101120000e+00 -4.0700000000e-03 -1.4066870000e+00 -1.6397080000e+00  3.8318100000e-01  1.9905940000e+00 -1.3005200000e+00  5.7734900000e-01  1.1168200000e+00 -2.2297370000e+00 -3.5905700000e-01  1.8595140000e+00
-ENERGY -1.526550328954e+02
-FORCES  3.8096000000e-03 -2.7169000000e-03  2.2163000000e-03 -4.4250000000e-04  3.9886000000e-03 -2.0200000000e-04 -3.1460000000e-03 -1.2999000000e-03 -2.3403000000e-03 -1.0747000000e-03 -2.0254000000e-03 -4.5283000000e-03 -1.5258000000e-03 -8.0820000000e-04  4.1733000000e-03  2.3794000000e-03  2.8618000000e-03  6.8110000000e-04
-
-JOB 70
-COORDS -9.3612700000e-01  8.0152000000e-02  2.4586410000e+00 -2.7949500000e-01  6.5168700000e-01  2.8566530000e+00 -6.1101900000e-01 -7.8091000000e-02  1.5723590000e+00  8.8487100000e-01 -6.0999000000e-02 -2.3784390000e+00  1.3290380000e+00 -7.1718000000e-02 -3.2262790000e+00  3.0828900000e-01 -8.2475600000e-01 -2.3999000000e+00
-ENERGY -1.526549809911e+02
-FORCES  4.3045000000e-03  2.0466000000e-03 -2.3772000000e-03 -2.7211000000e-03 -2.3315000000e-03 -1.2882000000e-03 -1.7617000000e-03  1.3480000000e-04  3.9293000000e-03 -3.3350000000e-04 -3.0424000000e-03 -4.3096000000e-03 -1.8673000000e-03 -4.3300000000e-05  3.4581000000e-03  2.3791000000e-03  3.2358000000e-03  5.8760000000e-04
-
-JOB 71
-COORDS -1.2707290000e+00 -8.0757000000e-02  2.2209560000e+00 -1.7396200000e+00 -8.8670100000e-01  2.4373540000e+00 -1.4873170000e+00  5.2140900000e-01  2.9327970000e+00  1.3126320000e+00  3.2964000000e-02 -2.2410270000e+00  1.0814070000e+00  2.4320900000e-01 -3.1457720000e+00  1.4179460000e+00  8.8424500000e-01 -1.8162200000e+00
-ENERGY -1.526538620461e+02
-FORCES -2.7621000000e-03 -1.3295000000e-03  3.6077000000e-03  1.7874000000e-03  3.4277000000e-03 -6.6950000000e-04  9.5230000000e-04 -2.3118000000e-03 -3.0011000000e-03 -9.1990000000e-04  4.4316000000e-03 -1.2505000000e-03  9.7640000000e-04 -9.2180000000e-04  3.5583000000e-03 -3.4100000000e-05 -3.2963000000e-03 -2.2450000000e-03
-
-JOB 72
-COORDS -1.1864350000e+00  7.6133500000e-01 -2.2676950000e+00 -2.7357700000e-01  5.9541600000e-01 -2.0323370000e+00 -1.4423450000e+00 -2.3700000000e-04 -2.7880310000e+00  1.1192670000e+00 -6.9312700000e-01  2.2330710000e+00  1.2232150000e+00 -1.6124200000e+00  2.4786880000e+00  1.6790300000e+00 -2.1623400000e-01  2.8458260000e+00
-ENERGY -1.526543434339e+02
-FORCES  2.8981000000e-03 -3.9344000000e-03 -3.2580000000e-04 -3.7485000000e-03  8.4500000000e-04 -1.7592000000e-03  9.4440000000e-04  3.0611000000e-03  1.8984000000e-03  2.4512000000e-03 -1.6794000000e-03  3.9349000000e-03 -3.4110000000e-04  3.7444000000e-03 -1.1588000000e-03 -2.2040000000e-03 -2.0368000000e-03 -2.5894000000e-03
-
-JOB 73
-COORDS  1.9872140000e+00  1.4106580000e+00 -1.3737900000e+00  1.6583600000e+00  2.3091940000e+00 -1.3469630000e+00  2.4128080000e+00  1.2854420000e+00 -5.2560200000e-01 -1.9594190000e+00 -1.4538560000e+00  1.3768090000e+00 -2.6415210000e+00 -2.0765970000e+00  1.1254860000e+00 -1.9705780000e+00 -7.9323900000e-01  6.8421200000e-01
-ENERGY -1.526545084309e+02
-FORCES  8.4910000000e-04  3.0891000000e-03  3.7020000000e-03  1.1142000000e-03 -3.7440000000e-03 -1.4260000000e-04 -1.7903000000e-03  6.7370000000e-04 -3.6108000000e-03 -2.6212000000e-03  4.0000000000e-05 -4.1990000000e-03  2.6839000000e-03  2.5321000000e-03  1.0962000000e-03 -2.3570000000e-04 -2.5909000000e-03  3.1542000000e-03
-
-JOB 74
-COORDS  4.4038400000e-01 -2.7045750000e+00  5.8679000000e-01  7.5641300000e-01 -3.2583340000e+00 -1.2715000000e-01  1.1396370000e+00 -2.0650550000e+00  7.2203900000e-01 -5.5140500000e-01  2.6897610000e+00 -6.0544300000e-01  3.1057900000e-01  2.2736600000e+00 -5.9686500000e-01 -5.4551400000e-01  3.2697310000e+00  1.5602500000e-01
-ENERGY -1.526535728317e+02
-FORCES  3.9041000000e-03  2.0670000000e-04 -2.4909000000e-03 -1.2069000000e-03  2.3075000000e-03  2.9923000000e-03 -2.7545000000e-03 -2.3684000000e-03 -5.4990000000e-04  3.2486000000e-03  5.4840000000e-04  3.2607000000e-03 -3.2733000000e-03  1.6495000000e-03 -4.5500000000e-05  8.2100000000e-05 -2.3437000000e-03 -3.1667000000e-03
-
-JOB 75
-COORDS  8.4446500000e-01  1.3538800000e-01 -2.8320650000e+00  4.0802000000e-02  3.4886700000e-01 -3.3061780000e+00  7.1453900000e-01  5.0748000000e-01 -1.9597700000e+00 -7.3237900000e-01 -1.7851100000e-01  2.7832160000e+00 -1.3800430000e+00  4.7572500000e-01  2.5210350000e+00 -1.1343280000e+00 -6.3015900000e-01  3.5252960000e+00
-ENERGY -1.526541657013e+02
-FORCES -3.6687000000e-03  2.1415000000e-03  2.0200000000e-03  3.2025000000e-03 -8.0330000000e-04  1.8732000000e-03  3.9430000000e-04 -1.2147000000e-03 -3.9513000000e-03 -4.2876000000e-03  5.2960000000e-04  2.4038000000e-03  2.7681000000e-03 -2.6016000000e-03  7.1010000000e-04  1.5915000000e-03  1.9486000000e-03 -3.0557000000e-03
-
-JOB 76
-COORDS  2.2141980000e+00  1.7066870000e+00 -1.0934990000e+00  2.0549600000e+00  2.6477280000e+00 -1.0205930000e+00  2.5046140000e+00  1.4440520000e+00 -2.2005000000e-01 -2.2678130000e+00 -1.7645030000e+00  1.0029610000e+00 -1.6670200000e+00 -1.0371020000e+00  8.4119700000e-01 -2.0174240000e+00 -2.0952770000e+00  1.8655890000e+00
-ENERGY -1.526540608351e+02
-FORCES  9.7990000000e-04  3.0487000000e-03  3.5196000000e-03  5.7140000000e-04 -3.9809000000e-03 -1.8340000000e-04 -1.5531000000e-03  9.2190000000e-04 -3.4598000000e-03  3.5539000000e-03  1.6134000000e-03  2.5014000000e-03 -2.5629000000e-03 -2.9993000000e-03  1.0705000000e-03 -9.8920000000e-04  1.3964000000e-03 -3.4483000000e-03
-
-JOB 77
-COORDS -1.2547470000e+00  7.3036600000e-01  2.8388880000e+00 -1.9355420000e+00  9.8748900000e-01  3.4606910000e+00 -4.7154900000e-01  6.1135700000e-01  3.3761680000e+00  1.2834220000e+00 -7.2411000000e-01 -2.9548670000e+00  1.5195850000e+00 -6.6148600000e-01 -2.0293750000e+00  3.8365900000e-01 -1.0506780000e+00 -2.9513820000e+00
-ENERGY -1.526544965550e+02
-FORCES  2.4460000000e-04  7.6370000000e-04  4.9225000000e-03  2.8165000000e-03 -1.0916000000e-03 -2.5245000000e-03 -3.1363000000e-03  3.9060000000e-04 -2.3354000000e-03 -2.9732000000e-03 -8.7750000000e-04  4.0272000000e-03 -6.6800000000e-04 -3.7350000000e-04 -3.8608000000e-03  3.7165000000e-03  1.1883000000e-03 -2.2910000000e-04
-
-JOB 78
-COORDS  2.9369850000e+00  1.7364640000e+00  1.2731060000e+00  3.5375340000e+00  2.4504350000e+00  1.0590530000e+00  2.1619990000e+00  2.1727210000e+00  1.6270970000e+00 -2.9171620000e+00 -1.7574700000e+00 -1.3314000000e+00 -2.7950060000e+00 -1.6698870000e+00 -3.8607500000e-01 -3.2223360000e+00 -2.6567130000e+00 -1.4516540000e+00
-ENERGY -1.526540443950e+02
-FORCES -7.3420000000e-04  4.7377000000e-03  3.7140000000e-04 -2.4217000000e-03 -2.9090000000e-03  9.3510000000e-04  3.1495000000e-03 -1.8292000000e-03 -1.3256000000e-03 -5.1850000000e-04 -3.3805000000e-03  3.3661000000e-03 -6.4750000000e-04 -2.9220000000e-04 -3.8269000000e-03  1.1724000000e-03  3.6731000000e-03  4.7990000000e-04
-
-JOB 79
-COORDS  3.5337110000e+00 -1.9813490000e+00 -6.1658200000e-01  3.8797330000e+00 -1.2181230000e+00 -1.0791690000e+00  3.0216510000e+00 -1.6136200000e+00  1.0369800000e-01 -3.4780990000e+00  1.9720180000e+00  5.7417600000e-01 -3.3109520000e+00  1.0576620000e+00  8.0275000000e-01 -4.3940040000e+00  2.1153950000e+00  8.1249000000e-01
-ENERGY -1.526541872946e+02
-FORCES -6.5460000000e-04  4.7185000000e-03  9.9890000000e-04 -1.3785000000e-03 -3.1577000000e-03  1.8956000000e-03  2.0424000000e-03 -1.5850000000e-03 -2.8941000000e-03 -3.2085000000e-03 -3.1397000000e-03  1.8537000000e-03 -5.6060000000e-04  3.7512000000e-03 -8.9810000000e-04  3.7598000000e-03 -5.8730000000e-04 -9.5590000000e-04
-
-JOB 80
-COORDS -1.5111820000e+00 -3.6517200000e+00 -1.6525880000e+00 -2.3081920000e+00 -3.1917460000e+00 -1.3890900000e+00 -1.7007180000e+00 -3.9749720000e+00 -2.5333930000e+00  1.5026600000e+00  3.6367170000e+00  1.6847040000e+00  2.0771200000e+00  3.9406840000e+00  2.3874340000e+00  2.0921790000e+00  3.4639010000e+00  9.5065100000e-01
-ENERGY -1.526541139072e+02
-FORCES -4.0605000000e-03  6.5020000000e-04 -2.4373000000e-03  3.2376000000e-03 -1.9507000000e-03 -1.1288000000e-03  8.0020000000e-04  1.2992000000e-03  3.5691000000e-03  4.7799000000e-03  3.9600000000e-04 -1.3920000000e-04 -2.3516000000e-03 -1.1939000000e-03 -2.8556000000e-03 -2.4055000000e-03  7.9920000000e-04  2.9918000000e-03
-
-JOB 81
-COORDS  1.4681900000e-01  2.5426580000e+00  3.6514930000e+00 -4.6378500000e-01  2.7246770000e+00  2.9371650000e+00  8.5034900000e-01  3.1810630000e+00  3.5343760000e+00 -1.2118500000e-01 -2.5868480000e+00 -3.5352020000e+00 -9.0483300000e-01 -2.1410050000e+00 -3.8566860000e+00  1.9562900000e-01 -3.0873870000e+00 -4.2870810000e+00
-ENERGY -1.526540139018e+02
-FORCES  4.3680000000e-04  3.2130000000e-03 -3.5003000000e-03  2.4407000000e-03 -6.5740000000e-04  2.9602000000e-03 -2.8841000000e-03 -2.5493000000e-03  5.1990000000e-04 -1.9034000000e-03 -3.1480000000e-04 -4.3552000000e-03  3.2049000000e-03 -1.7617000000e-03  1.3168000000e-03 -1.2949000000e-03  2.0702000000e-03  3.0586000000e-03
-
-JOB 82
-COORDS  1.4304980000e+00 -3.3442110000e+00  2.9329800000e+00  1.2650240000e+00 -3.6592970000e+00  2.0444010000e+00  7.5783200000e-01 -2.6795150000e+00  3.0810680000e+00 -1.3865140000e+00  3.2667500000e+00 -2.8683940000e+00 -2.1064910000e+00  3.7447040000e+00 -3.2800070000e+00 -6.3588200000e-01  3.8565650000e+00 -2.9384060000e+00
-ENERGY -1.526542574177e+02
-FORCES -3.4566000000e-03  1.5116000000e-03 -3.1068000000e-03  7.0590000000e-04  1.2114000000e-03  3.6510000000e-03  2.7547000000e-03 -2.7475000000e-03 -5.2410000000e-04  1.3420000000e-04  4.4157000000e-03 -2.0119000000e-03  2.9322000000e-03 -1.9653000000e-03  1.6920000000e-03 -3.0703000000e-03 -2.4260000000e-03  2.9980000000e-04
-
-JOB 83
-COORDS -7.3425100000e-01 -4.4771840000e+00 -7.6588800000e-01 -1.0281490000e+00 -5.3078600000e+00 -3.9194500000e-01  1.2361900000e-01 -4.6736220000e+00 -1.1423230000e+00  7.2706500000e-01  4.5598540000e+00  7.0847200000e-01  7.6575700000e-01  4.9376340000e+00  1.5871170000e+00  2.2563600000e-01  3.7517000000e+00  8.1658100000e-01
-ENERGY -1.526541878128e+02
-FORCES  2.3118000000e-03 -4.2304000000e-03 -8.7900000000e-05  1.1959000000e-03  3.4045000000e-03 -1.4980000000e-03 -3.5078000000e-03  8.0490000000e-04  1.5715000000e-03 -1.9418000000e-03 -1.8530000000e-03  3.9859000000e-03 -1.3410000000e-04 -1.5031000000e-03 -3.5662000000e-03  2.0762000000e-03  3.3771000000e-03 -4.0530000000e-04
-
-JOB 84
-COORDS -3.9183210000e+00 -3.1485280000e+00 -1.3324550000e+00 -3.9443060000e+00 -2.2459730000e+00 -1.6501820000e+00 -3.3023230000e+00 -3.5909050000e+00 -1.9164760000e+00  3.9094540000e+00  3.1741500000e+00  1.3634320000e+00  3.5565600000e+00  2.4608780000e+00  8.3151100000e-01  3.8285390000e+00  2.8637010000e+00  2.2652670000e+00
-ENERGY -1.526540779445e+02
-FORCES  2.3083000000e-03  1.8484000000e-03 -3.7396000000e-03  1.6150000000e-04 -3.6806000000e-03  1.3302000000e-03 -2.4709000000e-03  1.8275000000e-03  2.4182000000e-03 -1.7538000000e-03 -4.1764000000e-03  1.5698000000e-03  1.4233000000e-03  2.9121000000e-03  2.1232000000e-03  3.3160000000e-04  1.2690000000e-03 -3.7018000000e-03
-
-JOB 85
-COORDS  2.2431060000e+00 -3.5262160000e+00 -3.0757140000e+00  2.2735380000e+00 -3.1173460000e+00 -3.9406600000e+00  3.0653590000e+00 -3.2680860000e+00 -2.6591790000e+00 -2.2455760000e+00  3.5353610000e+00  3.1070220000e+00 -3.0772590000e+00  3.6220700000e+00  2.6411710000e+00 -2.2348500000e+00  2.6281520000e+00  3.4121250000e+00
-ENERGY -1.526541529626e+02
-FORCES  3.5110000000e-03  2.7414000000e-03 -1.8372000000e-03 -1.3980000000e-04 -1.6780000000e-03  3.5243000000e-03 -3.3637000000e-03 -1.0694000000e-03 -1.6948000000e-03 -3.3551000000e-03 -3.3964000000e-03 -6.7320000000e-04  3.3877000000e-03 -3.2430000000e-04  1.9028000000e-03 -4.0100000000e-05  3.7268000000e-03 -1.2220000000e-03
-
-JOB 86
-COORDS  3.6008210000e+00  4.0288320000e+00  2.7202800000e-01  4.1689110000e+00  4.6993340000e+00 -1.0735800000e-01  4.0401280000e+00  3.2018330000e+00  7.3752000000e-02 -3.7019220000e+00 -3.9772480000e+00 -2.4905000000e-01 -3.7573850000e+00 -4.5970040000e+00  4.7831300000e-01 -2.8864390000e+00 -4.2041100000e+00 -6.9598800000e-01
-ENERGY -1.526540087534e+02
-FORCES  4.0764000000e-03 -6.2050000000e-04 -2.3691000000e-03 -2.3071000000e-03 -2.7441000000e-03  1.5530000000e-03 -1.7782000000e-03  3.3585000000e-03  8.1500000000e-04  3.1065000000e-03 -3.4023000000e-03  1.1719000000e-03  2.2550000000e-04  2.5086000000e-03 -2.9800000000e-03 -3.3232000000e-03  8.9970000000e-04  1.8092000000e-03
-
-JOB 87
-COORDS -3.3206860000e+00  4.0687080000e+00 -3.9478120000e+00 -2.7038980000e+00  4.7644920000e+00 -4.1751640000e+00 -3.2912560000e+00  3.4689060000e+00 -4.6932000000e+00  3.2781760000e+00 -4.0925900000e+00  3.9418760000e+00  3.6784790000e+00 -3.2970220000e+00  4.2926780000e+00  2.9505050000e+00 -4.5562660000e+00  4.7125040000e+00
-ENERGY -1.526540777100e+02
-FORCES  2.6538000000e-03  3.5440000000e-04 -3.9637000000e-03 -2.5219000000e-03 -2.8216000000e-03  9.2920000000e-04 -1.3070000000e-04  2.4656000000e-03  3.0319000000e-03  2.6120000000e-04  1.3739000000e-03  4.5751000000e-03 -1.6129000000e-03 -3.2535000000e-03 -1.4309000000e-03  1.3505000000e-03  1.8812000000e-03 -3.1416000000e-03
-
-JOB 88
-COORDS -1.0266120000e+00 -1.6891580000e+00 -7.7645660000e+00 -1.6560400000e+00 -2.3907940000e+00 -7.9311800000e+00 -8.4497100000e-01 -1.7474480000e+00 -6.8265670000e+00  1.0079630000e+00  1.7822480000e+00  7.6826100000e+00  1.0309340000e+00  8.3589900000e-01  7.5407420000e+00  1.6679020000e+00  1.9397860000e+00  8.3578100000e+00
-ENERGY -1.526540717910e+02
-FORCES -1.8348000000e-03 -3.0819000000e-03  3.1554000000e-03  2.5713000000e-03  2.8552000000e-03  6.7640000000e-04 -7.3610000000e-04  2.2510000000e-04 -3.8312000000e-03  2.7934000000e-03 -3.2034000000e-03  2.1891000000e-03 -9.9200000000e-05  3.8545000000e-03  5.6790000000e-04 -2.6945000000e-03 -6.4950000000e-04 -2.7577000000e-03
-
-JOB 89
-COORDS  9.1992940000e+00  1.1484700000e-01  5.0740320000e+00  9.7030850000e+00 -3.9801600000e-01  4.4420530000e+00  8.3299120000e+00 -2.8563500000e-01  5.0694770000e+00 -9.2074230000e+00 -1.5188000000e-02 -5.0081340000e+00 -8.6973680000e+00 -7.4556800000e-01 -4.6579620000e+00 -9.2300850000e+00 -1.6929800000e-01 -5.9525740000e+00
-ENERGY -1.526540655612e+02
-FORCES -1.4922000000e-03 -3.7211000000e-03 -2.5933000000e-03 -2.0559000000e-03  2.0903000000e-03  2.5767000000e-03  3.5476000000e-03  1.6306000000e-03  1.6100000000e-05  1.9810000000e-03 -3.6044000000e-03 -2.4271000000e-03 -2.0765000000e-03  2.9783000000e-03 -1.4269000000e-03  9.6000000000e-05  6.2640000000e-04  3.8545000000e-03
-
-JOB 0
-COORDS -3.9983800000e-01  1.2039260000e+00 -1.6005300000e-01 -2.0214500000e-01  2.8712600000e-01  3.1330000000e-02 -6.7229000000e-02  1.6844610000e+00  5.9803000000e-01  4.2252200000e-01 -1.1223420000e+00  1.2652100000e-01 -5.0045000000e-02 -1.6997660000e+00  7.2609900000e-01  1.4974600000e-01 -1.4069790000e+00 -7.4572100000e-01
-ENERGY -1.526531255853e+02
-FORCES  1.1907700000e-02 -2.7281000000e-02  6.1902000000e-03 -5.2096000000e-03  4.0529000000e-03 -4.9866000000e-03 -6.4910000000e-04 -2.8750000000e-03 -7.8860000000e-04 -7.0692000000e-03  1.6781100000e-02 -3.4144000000e-03  1.7010000000e-03  5.1174000000e-03 -4.0043000000e-03 -6.8080000000e-04  4.2048000000e-03  7.0038000000e-03
-
-JOB 1
-COORDS  4.2056000000e-02  1.1983630000e+00 -3.0109200000e-01  4.0866700000e-01  1.0764060000e+00  5.7466800000e-01 -8.2764000000e-02  2.1441510000e+00 -3.7943600000e-01 -1.5100000000e-02 -1.2822370000e+00  2.4372800000e-01 -7.8323900000e-01 -1.4060250000e+00  8.0128600000e-01 -4.0571000000e-02 -3.5636200000e-01  2.1940000000e-03
-ENERGY -1.526495783044e+02
-FORCES -1.6449000000e-03 -1.3222500000e-02  1.8538000000e-03 -6.5035000000e-03 -7.3273000000e-03 -7.8897000000e-03  1.9848000000e-03 -4.6743000000e-03  2.9274000000e-03 -4.6853000000e-03  1.4877100000e-02 -7.5184000000e-03  2.7331000000e-03  2.2021000000e-03 -1.0437000000e-03  8.1158000000e-03  8.1449000000e-03  1.1670600000e-02
-
-JOB 2
-COORDS  1.0853050000e+00  6.9782600000e-01 -3.2808300000e-01  2.9883700000e-01  1.0022000000e+00  1.2474900000e-01  9.3341900000e-01 -2.3633900000e-01 -4.7125600000e-01 -1.0430440000e+00 -6.2005800000e-01  3.7247400000e-01 -1.1329570000e+00 -3.8477300000e-01 -5.5099200000e-01 -7.8630600000e-01 -1.5421170000e+00  3.6130400000e-01
-ENERGY -1.526488070417e+02
-FORCES -1.5214900000e-02 -1.0744400000e-02  1.0518100000e-02 -3.7380000000e-04  3.6300000000e-03 -4.3884000000e-03 -5.8730000000e-04 -2.2837000000e-03 -4.3908000000e-03  9.9948000000e-03  3.2481000000e-03 -5.0936000000e-03  4.7121000000e-03  5.6830000000e-04  5.1881000000e-03  1.4691000000e-03  5.5818000000e-03 -1.8335000000e-03
-
-JOB 3
-COORDS  2.6660500000e-01 -2.3224100000e-01  1.2984340000e+00  8.3616300000e-01 -9.0352700000e-01  9.2265500000e-01 -1.6730700000e-01  1.6460900000e-01  5.4314500000e-01 -2.9349000000e-01  2.6547100000e-01 -1.1785420000e+00 -6.5615100000e-01  5.2265100000e-01 -2.0262260000e+00  4.2938500000e-01 -3.2329000000e-01 -1.3954390000e+00
-ENERGY -1.526542126152e+02
-FORCES -4.6101000000e-03  2.7861000000e-03 -1.6810000000e-02 -8.7320000000e-04  1.9427000000e-03 -1.1305000000e-03  3.2912000000e-03 -2.2973000000e-03  3.4521000000e-03  2.4899000000e-03 -2.1107000000e-03  8.4087000000e-03  3.4104000000e-03 -2.5896000000e-03  3.5122000000e-03 -3.7082000000e-03  2.2688000000e-03  2.5676000000e-03
-
-JOB 4
-COORDS -5.3900000000e-04 -1.1716290000e+00 -4.5290800000e-01 -7.7267000000e-02 -1.0488440000e+00 -1.3990950000e+00 -7.9283000000e-01 -1.6496260000e+00 -2.0790800000e-01  8.7382000000e-02  1.1980280000e+00  5.6066400000e-01 -3.3087600000e-01  1.9005270000e+00  6.2882000000e-02 -9.3108000000e-02  4.0543400000e-01  5.5244000000e-02
-ENERGY -1.526558254089e+02
-FORCES -1.0934000000e-03  6.4970000000e-03  3.4199000000e-03 -1.1223000000e-03  2.7807000000e-03  7.0307000000e-03  4.1961000000e-03  4.2090000000e-03 -2.2193000000e-03 -5.1370000000e-04 -1.8984500000e-02 -7.4003000000e-03  7.7440000000e-04 -5.0815000000e-03 -7.7700000000e-04 -2.2411000000e-03  1.0579400000e-02 -5.4100000000e-05
-
-JOB 5
-COORDS  4.2093000000e-02 -8.2729300000e-01 -1.0321550000e+00 -2.6353900000e-01 -1.6879200000e-01 -4.0829800000e-01 -3.4787600000e-01 -5.6664000000e-01 -1.8665510000e+00 -2.8423000000e-02  8.1372900000e-01  9.8919000000e-01  8.6538000000e-01  4.9006000000e-01  1.1013810000e+00 -5.0262700000e-01  4.7755500000e-01  1.7496830000e+00
-ENERGY -1.526595701467e+02
-FORCES -2.8496000000e-03  1.2220300000e-02  1.2238500000e-02  2.5066000000e-03 -7.5925000000e-03 -7.0181000000e-03  2.6950000000e-04  1.1937000000e-03  4.0197000000e-03  3.7764000000e-03 -7.6249000000e-03 -3.7095000000e-03 -6.4582000000e-03  1.1673000000e-03 -7.2530000000e-04  2.7554000000e-03  6.3610000000e-04 -4.8052000000e-03
-
-JOB 6
-COORDS  7.6049200000e-01  3.3697300000e-01 -9.9242600000e-01  7.2959900000e-01 -3.7165600000e-01 -1.6351720000e+00  1.5087300000e+00  1.2302300000e-01 -4.3511300000e-01 -8.1950100000e-01 -2.4580700000e-01  1.0524330000e+00 -4.3824500000e-01 -1.0193000000e-02  2.0664200000e-01 -9.0565900000e-01 -1.1985630000e+00  1.0197830000e+00
-ENERGY -1.526578117317e+02
-FORCES -5.2600000000e-05 -4.0207000000e-03  6.3986000000e-03 -1.0019000000e-03  2.6097000000e-03  5.6559000000e-03 -5.5531000000e-03 -1.5620000000e-04 -3.3380000000e-03  8.9244000000e-03  3.1708000000e-03 -1.5848200000e-02 -4.0955000000e-03 -4.4408000000e-03  8.5093000000e-03  1.7786000000e-03  2.8372000000e-03 -1.3776000000e-03
-
-JOB 7
-COORDS  2.6496000000e-01  1.0815860000e+00  7.8097100000e-01  1.1653880000e+00  1.0969140000e+00  1.1053570000e+00  2.6692600000e-01  4.0981000000e-01  9.9102000000e-02 -3.3120200000e-01 -1.0265910000e+00 -7.0785400000e-01  3.3625800000e-01 -1.6970020000e+00 -8.5372300000e-01 -6.2486400000e-01 -7.8517100000e-01 -1.5863250000e+00
-ENERGY -1.526577267337e+02
-FORCES -2.6478000000e-03 -1.3867500000e-02 -8.5648000000e-03 -2.5621000000e-03 -2.1291000000e-03 -2.1140000000e-03  4.0681000000e-03  9.1224000000e-03  2.9900000000e-03  9.2300000000e-04  2.3898000000e-03  1.5121000000e-03 -2.8860000000e-03  5.0154000000e-03  7.1190000000e-04  3.1048000000e-03 -5.3100000000e-04  5.4648000000e-03
-
-JOB 8
-COORDS -8.8915400000e-01 -9.4432300000e-01 -4.6013100000e-01 -4.2043500000e-01 -2.3153400000e-01 -2.6002000000e-02 -1.4314190000e+00 -5.0927800000e-01 -1.1180940000e+00  8.2467800000e-01  8.8902800000e-01  4.8081900000e-01  1.2008200000e+00  4.1396300000e-01 -2.6016800000e-01  1.5804870000e+00  1.1511870000e+00  1.0064210000e+00
-ENERGY -1.526570027287e+02
-FORCES  2.5100000000e-03  9.3359000000e-03  6.4914000000e-03  4.2995000000e-03 -3.6234000000e-03 -9.6083000000e-03  3.1347000000e-03 -5.1480000000e-04  2.0737000000e-03 -4.6630000000e-04 -5.1397000000e-03  1.3650000000e-04 -7.3738000000e-03  1.2634000000e-03  5.3723000000e-03 -2.1040000000e-03 -1.3214000000e-03 -4.4657000000e-03
-
-JOB 9
-COORDS -1.3638100000e-01  6.0724300000e-01 -1.1473110000e+00  1.7523000000e-02  1.4586140000e+00 -7.3778400000e-01  4.6451000000e-01  5.8707400000e-01 -1.8921300000e+00  1.3100900000e-01 -6.3830800000e-01  1.2272290000e+00 -3.5967000000e-01 -1.4423760000e+00  1.0571090000e+00  9.9500000000e-03 -1.1159100000e-01  4.3720000000e-01
-ENERGY -1.526579517809e+02
-FORCES  4.8596000000e-03 -2.4231000000e-03  2.7277000000e-03  1.0850000000e-04 -8.1487000000e-03  7.2150000000e-04 -3.5791000000e-03  1.6132000000e-03  3.2908000000e-03 -3.1983000000e-03  3.1807000000e-03 -1.6219300000e-02  1.5584000000e-03  1.7233000000e-03  5.2310000000e-04  2.5080000000e-04  4.0546000000e-03  8.9561000000e-03
-
-JOB 10
-COORDS -3.9027700000e-01 -1.3021020000e+00  2.2796900000e-01  3.9463100000e-01 -1.8461930000e+00  1.6382300000e-01 -7.9029000000e-02 -4.1169200000e-01  6.5099000000e-02  3.8483700000e-01  1.2361020000e+00 -2.0913200000e-01 -9.3380000000e-03  1.7792190000e+00  4.7342300000e-01 -1.7904200000e-01  1.3628280000e+00 -9.7216100000e-01
-ENERGY -1.526602327743e+02
-FORCES  8.1846000000e-03  1.5031800000e-02 -1.9224000000e-03 -1.7099000000e-03  2.4209000000e-03 -1.3800000000e-04 -6.1117000000e-03 -9.0522000000e-03 -7.4880000000e-04 -4.3300000000e-03 -1.8451000000e-03  1.4334000000e-03  1.4404000000e-03 -3.5275000000e-03 -4.3719000000e-03  2.5267000000e-03 -3.0279000000e-03  5.7477000000e-03
-
-JOB 11
-COORDS  3.4969300000e-01  1.1910460000e+00 -5.2901100000e-01 -8.2587000000e-02  9.3370800000e-01 -1.3433470000e+00  1.2438990000e+00  8.6116200000e-01 -6.1735300000e-01 -4.4406100000e-01 -1.1848890000e+00  5.6392600000e-01 -6.8078000000e-02 -3.5070800000e-01  2.8283700000e-01  2.0759300000e-01 -1.5528850000e+00  1.1607160000e+00
-ENERGY -1.526578942138e+02
-FORCES -3.3090000000e-04 -3.2506000000e-03 -4.4192000000e-03  2.7732000000e-03 -8.0400000000e-05  6.2474000000e-03 -6.9826000000e-03 -1.8494000000e-03  3.4614000000e-03  4.1371000000e-03  1.3715200000e-02 -2.3283000000e-03  1.0097000000e-03 -1.1462400000e-02 -3.9900000000e-05 -6.0650000000e-04  2.9276000000e-03 -2.9215000000e-03
-
-JOB 12
-COORDS -1.0890470000e+00  8.3374300000e-01  1.7545100000e-01 -2.1697000000e-01  4.5746500000e-01  2.9432000000e-01 -9.3977000000e-01  1.6283240000e+00 -3.3698300000e-01  9.8508100000e-01 -8.4165700000e-01 -1.1833500000e-01  9.9923000000e-01 -1.0319290000e+00 -1.0563260000e+00  1.8845660000e+00 -9.9450300000e-01  1.7114000000e-01
-ENERGY -1.526592588360e+02
-FORCES  1.1844600000e-02 -6.5753000000e-03 -9.7390000000e-04 -6.4409000000e-03  6.3904000000e-03  8.0800000000e-04  5.9920000000e-04 -3.2810000000e-03  7.8310000000e-04 -3.4056000000e-03  1.3389000000e-03 -3.1389000000e-03  1.9817000000e-03  1.0208000000e-03  4.8585000000e-03 -4.5790000000e-03  1.1063000000e-03 -2.3368000000e-03
-
-JOB 13
-COORDS -4.2791200000e-01 -1.2396980000e+00 -3.1363600000e-01  1.3222300000e-01 -1.8399050000e+00 -8.0580600000e-01 -5.6327200000e-01 -1.6739260000e+00  5.2859700000e-01  4.2252400000e-01  1.3449750000e+00  2.5637900000e-01  1.1205700000e-01  4.7753300000e-01 -3.2110000000e-03  3.5350800000e-01  1.3487930000e+00  1.2110800000e+00
-ENERGY -1.526601942413e+02
-FORCES  3.2134000000e-03 -8.6570000000e-04  1.3790000000e-03 -3.1762000000e-03  2.3742000000e-03  3.3528000000e-03  1.5910000000e-03  2.9527000000e-03 -4.0651000000e-03 -4.6499000000e-03 -1.2778400000e-02 -1.2665000000e-03  3.1312000000e-03  9.4159000000e-03  3.1555000000e-03 -1.0960000000e-04 -1.0986000000e-03 -2.5558000000e-03
-
-JOB 14
-COORDS  6.0859500000e-01 -6.9900000000e-02  1.1798380000e+00  1.5657820000e+00 -7.3866000000e-02  1.1769750000e+00  3.7225900000e-01  1.6438100000e-01  2.0773290000e+00 -7.0999500000e-01  2.5740000000e-02 -1.2462340000e+00 -2.1505000000e-01  6.7293600000e-01 -1.7486270000e+00 -1.7423900000e-01 -1.3613300000e-01 -4.6970700000e-01
-ENERGY -1.526597659046e+02
-FORCES -2.6654000000e-03  1.5999000000e-03  3.7200000000e-05 -5.0309000000e-03  7.3380000000e-04 -2.8080000000e-04  3.4700000000e-03 -1.1572000000e-03 -3.3649000000e-03  6.5207000000e-03  1.6913000000e-03  1.0625300000e-02 -6.5990000000e-04 -2.0107000000e-03  1.8108000000e-03 -1.6346000000e-03 -8.5720000000e-04 -8.8277000000e-03
-
-JOB 15
-COORDS  1.2053410000e+00 -7.6395800000e-01 -2.2400000000e-01  5.2626700000e-01 -1.3735900000e-01  2.5929000000e-02  9.5087900000e-01 -1.0573840000e+00 -1.0988620000e+00 -1.1022610000e+00  7.0900500000e-01  2.2529100000e-01 -2.0340980000e+00  4.9108000000e-01  2.0481800000e-01 -1.0540030000e+00  1.5073540000e+00  7.5116500000e-01
-ENERGY -1.526598940815e+02
-FORCES -1.2324500000e-02  5.8093000000e-03 -9.1440000000e-04  8.2788000000e-03 -1.1969000000e-03  3.4150000000e-04  9.3140000000e-04  3.3000000000e-06  2.1777000000e-03 -4.0420000000e-04 -2.9123000000e-03  5.5060000000e-04  3.7246000000e-03  2.9155000000e-03  3.5040000000e-04 -2.0600000000e-04 -4.6189000000e-03 -2.5059000000e-03
-
-JOB 16
-COORDS -6.7968600000e-01  1.1073400000e-01  1.2451700000e+00 -5.8756400000e-01  5.3848000000e-02  2.9411300000e-01 -1.5284080000e+00  5.3254100000e-01  1.3792680000e+00  7.2180900000e-01 -1.0877800000e-01 -1.1323890000e+00  1.2414840000e+00  2.8988300000e-01 -1.8304140000e+00  2.5216900000e-01 -8.2403000000e-01 -1.5614380000e+00
-ENERGY -1.526569544461e+02
-FORCES  3.5580000000e-03  1.9679000000e-03 -7.9685000000e-03 -6.8356000000e-03 -3.7022000000e-03  4.8006000000e-03  3.3219000000e-03 -1.3160000000e-03 -1.8975000000e-03  2.1603000000e-03  7.6820000000e-04 -1.5755000000e-03 -2.2222000000e-03 -3.1112000000e-03  2.5885000000e-03  1.7600000000e-05  5.3933000000e-03  4.0523000000e-03
-
-JOB 17
-COORDS  3.3059000000e-01  1.3265340000e+00  2.9202700000e-01  1.3400000000e-04  1.4139650000e+00 -6.0205700000e-01 -3.1211300000e-01  1.7870740000e+00  8.3153500000e-01 -2.4348700000e-01 -1.4105950000e+00 -3.0302500000e-01  1.5638600000e-01 -6.0922800000e-01  3.4828000000e-02 -1.1774030000e+00 -1.3085330000e+00 -1.1968200000e-01
-ENERGY -1.526595053548e+02
-FORCES -4.1632000000e-03  2.3005000000e-03 -1.6094000000e-03  1.0356000000e-03 -2.5592000000e-03  5.9190000000e-03  2.4130000000e-03 -2.6537000000e-03 -3.4697000000e-03  3.9390000000e-04  1.0236100000e-02  5.9618000000e-03 -2.1557000000e-03 -7.4577000000e-03 -5.5715000000e-03  2.4764000000e-03  1.3400000000e-04 -1.2302000000e-03
-
-JOB 18
-COORDS -7.1708400000e-01 -1.2477370000e+00 -3.1344100000e-01 -8.5495000000e-01 -1.3947370000e+00  6.2230300000e-01 -4.3208600000e-01 -3.3593800000e-01 -3.7370300000e-01  6.6463300000e-01  1.1956790000e+00  2.0736000000e-01  5.5700600000e-01  1.5506120000e+00  1.0897830000e+00  1.5707840000e+00  8.8837600000e-01  1.8116100000e-01
-ENERGY -1.526600389540e+02
-FORCES  4.3390000000e-03  1.0772000000e-02  5.0465000000e-03  3.1660000000e-04 -2.2900000000e-04 -2.2858000000e-03 -3.6045000000e-03 -7.8254000000e-03 -3.0032000000e-03  2.8189000000e-03 -1.9601000000e-03  3.3288000000e-03  9.5920000000e-04 -2.5295000000e-03 -3.8884000000e-03 -4.8292000000e-03  1.7720000000e-03  8.0220000000e-04
-
-JOB 19
-COORDS  1.1448930000e+00  6.0984500000e-01 -6.9049700000e-01  1.1173520000e+00 -3.2149500000e-01 -4.7122800000e-01  2.7264400000e-01  8.0113400000e-01 -1.0352040000e+00 -1.1281980000e+00 -6.3591400000e-01  7.0826900000e-01 -1.1811600000e+00 -4.1971000000e-02 -4.0503000000e-02 -5.6055000000e-01 -1.8451600000e-01  1.3329660000e+00
-ENERGY -1.526519410385e+02
-FORCES -5.3632000000e-03 -6.5367000000e-03 -1.2450000000e-04  1.2432000000e-03  5.3034000000e-03 -4.3010000000e-04 -9.5190000000e-04 -1.3466000000e-03  4.4294000000e-03  4.4113000000e-03  7.7609000000e-03  2.9070000000e-04  3.2070000000e-03 -1.4111000000e-03 -1.7904000000e-03 -2.5464000000e-03 -3.7699000000e-03 -2.3751000000e-03
-
-JOB 20
-COORDS -7.2911500000e-01 -5.9329900000e-01  1.1344370000e+00 -3.6443800000e-01 -2.3755700000e-01  3.2407200000e-01 -2.8148100000e-01 -1.4312440000e+00  1.2515020000e+00  6.2142800000e-01  6.0630300000e-01 -1.0620980000e+00  9.0065000000e-01  1.4678030000e+00 -1.3720730000e+00  1.3596140000e+00  2.9597000000e-02 -1.2588830000e+00
-ENERGY -1.526597868437e+02
-FORCES  5.4702000000e-03  3.4891000000e-03 -7.9843000000e-03 -3.2951000000e-03 -6.6517000000e-03  6.3712000000e-03 -4.9680000000e-04  2.8211000000e-03 -1.2641000000e-03  2.0217000000e-03  2.5972000000e-03  9.2430000000e-04  2.9760000000e-04 -4.7031000000e-03  2.0470000000e-04 -3.9975000000e-03  2.4474000000e-03  1.7482000000e-03
-
-JOB 21
-COORDS  1.2224850000e+00  7.3557300000e-01  3.3943000000e-01  1.8722290000e+00  1.6589100000e-01  7.5116800000e-01  4.1078900000e-01  2.2871000000e-01  3.6111600000e-01 -1.1704160000e+00 -6.4868000000e-01 -3.2252500000e-01 -1.6579300000e+00 -1.4679570000e+00 -2.3681500000e-01 -1.4341060000e+00 -3.0048800000e-01 -1.1742650000e+00
-ENERGY -1.526611546006e+02
-FORCES -6.7839000000e-03 -7.3211000000e-03 -3.9180000000e-04 -2.3660000000e-03  1.2384000000e-03 -1.1189000000e-03  7.5589000000e-03  5.5214000000e-03  1.8068000000e-03 -2.7480000000e-04 -3.5250000000e-04 -2.8994000000e-03  1.7539000000e-03  3.6778000000e-03 -1.6175000000e-03  1.1190000000e-04 -2.7639000000e-03  4.2207000000e-03
-
-JOB 22
-COORDS -2.8691600000e-01  1.4374740000e+00 -2.0590500000e-01 -1.5602100000e-01  4.9049500000e-01 -2.5416400000e-01 -3.6990500000e-01  1.6208920000e+00  7.2988400000e-01  2.9084600000e-01 -1.3411970000e+00  1.8807700000e-01 -2.6046100000e-01 -2.1090810000e+00  3.3856500000e-01  7.6463000000e-01 -1.5404510000e+00 -6.1942400000e-01
-ENERGY -1.526604577560e+02
-FORCES  1.4272000000e-03 -1.0814200000e-02  5.9444000000e-03  3.9340000000e-04  7.7777000000e-03 -5.0611000000e-03 -3.0280000000e-04  5.4530000000e-04 -2.6061000000e-03 -9.8390000000e-04 -3.2814000000e-03 -1.1774000000e-03  3.5496000000e-03  3.1886000000e-03 -9.8280000000e-04 -4.0835000000e-03  2.5841000000e-03  3.8830000000e-03
-
-JOB 23
-COORDS  9.0289700000e-01  1.1019090000e+00 -5.0896800000e-01  7.8642400000e-01  3.0844800000e-01  1.3608000000e-02  2.4346000000e-02  1.3117560000e+00 -8.2573900000e-01 -7.9009900000e-01 -1.0308150000e+00  4.5483500000e-01 -1.6962770000e+00 -7.7013100000e-01  6.1950700000e-01 -6.7977500000e-01 -1.8419270000e+00  9.5097700000e-01
-ENERGY -1.526587608423e+02
-FORCES -8.7201000000e-03 -8.2177000000e-03  2.5715000000e-03  5.9579000000e-03  4.2457000000e-03 -1.1819000000e-03  2.1857000000e-03  1.6062000000e-03  2.2610000000e-04 -3.1198000000e-03 -3.9210000000e-04  1.6053000000e-03  4.1275000000e-03 -1.5088000000e-03 -1.1052000000e-03 -4.3120000000e-04  4.2668000000e-03 -2.1158000000e-03
-
-JOB 24
-COORDS  1.3320200000e+00 -8.0117000000e-02 -5.6422100000e-01  1.3065280000e+00 -7.7723900000e-01  9.1219000000e-02  1.1862320000e+00 -5.2848800000e-01 -1.3972520000e+00 -1.3478140000e+00  1.8051400000e-01  6.2512700000e-01 -4.3122000000e-01 -2.3497000000e-02  4.3947600000e-01 -1.8222580000e+00 -1.1958400000e-01 -1.5016300000e-01
-ENERGY -1.526549222390e+02
-FORCES  1.1040000000e-03 -4.1781000000e-03 -2.9762000000e-03 -6.3497000000e-03  6.4397000000e-03 -2.4724000000e-03 -1.3020000000e-04  2.2306000000e-03  4.7339000000e-03  7.4059000000e-03  7.2580000000e-04 -8.1248000000e-03 -3.4097000000e-03 -5.6502000000e-03  6.2115000000e-03  1.3796000000e-03  4.3220000000e-04  2.6280000000e-03
-
-JOB 25
-COORDS  3.5438600000e-01 -7.0341200000e-01 -1.2743330000e+00 -4.8432800000e-01 -1.0188390000e+00 -1.6109300000e+00  1.5717800000e-01 -3.9430400000e-01 -3.9014300000e-01 -3.5629300000e-01  6.8389900000e-01  1.2127810000e+00  6.5638000000e-02  1.5427160000e+00  1.2381040000e+00  2.6195600000e-01  9.9734000000e-02  1.6518150000e+00
-ENERGY -1.526595557635e+02
-FORCES -6.8406000000e-03  4.7208000000e-03  6.7489000000e-03  2.7633000000e-03  7.8490000000e-04  9.4790000000e-04  5.7042000000e-03 -7.0539000000e-03 -4.2065000000e-03  3.3857000000e-03  4.4094000000e-03  2.5294000000e-03 -1.9265000000e-03 -4.6929000000e-03  6.6640000000e-04 -3.0861000000e-03  1.8317000000e-03 -6.6861000000e-03
-
-JOB 26
-COORDS  1.0958360000e+00 -3.9824300000e-01 -9.5520900000e-01  3.2038300000e-01 -6.7622000000e-02 -5.0178400000e-01  1.0800830000e+00 -1.3426670000e+00 -8.0013300000e-01 -9.9628900000e-01  4.1849200000e-01  8.7614200000e-01 -1.2326010000e+00 -2.0887000000e-02  1.6930480000e+00 -1.6520920000e+00  1.1085680000e+00  7.7639400000e-01
-ENERGY -1.526607403930e+02
-FORCES -7.7565000000e-03  9.4500000000e-05  6.9754000000e-03  5.9120000000e-03 -1.7230000000e-03 -6.8997000000e-03  3.1410000000e-04  2.5409000000e-03 -2.1430000000e-04 -1.2174000000e-03  5.5800000000e-05  2.5920000000e-03 -1.1730000000e-04  2.6160000000e-03 -3.6256000000e-03  2.8651000000e-03 -3.5842000000e-03  1.1723000000e-03
-
-JOB 27
-COORDS -1.2262020000e+00 -5.1922900000e-01 -6.9217100000e-01 -4.3621500000e-01 -1.1146900000e-01 -3.3737100000e-01 -1.6649690000e+00  1.8401100000e-01 -1.1708870000e+00  1.2184680000e+00  4.7016100000e-01  6.3521100000e-01  6.4919700000e-01  9.2763200000e-01  1.2539860000e+00  1.5064910000e+00 -3.1143000000e-01  1.1067930000e+00
-ENERGY -1.526606776363e+02
-FORCES  7.8946000000e-03  4.9417000000e-03  6.9380000000e-04 -1.0697000000e-02 -2.4653000000e-03 -1.3790000000e-03  1.9026000000e-03 -1.6522000000e-03  2.4048000000e-03  2.0155000000e-03 -1.7618000000e-03  6.1772000000e-03  1.0027000000e-03 -3.4403000000e-03 -5.5208000000e-03 -2.1183000000e-03  4.3777000000e-03 -2.3760000000e-03
-
-JOB 28
-COORDS  1.0500120000e+00  5.5007300000e-01  8.2675200000e-01  1.4884760000e+00  9.0053400000e-01  5.1408000000e-02  7.1923600000e-01  1.3225400000e+00  1.2851320000e+00 -1.0671150000e+00 -6.6951000000e-01 -8.5561700000e-01 -3.4200100000e-01 -5.3975800000e-01 -2.4438400000e-01 -1.6397980000e+00  8.3907000000e-02 -7.1199300000e-01
-ENERGY -1.526600652780e+02
-FORCES  1.1292000000e-03  5.6900000000e-03 -6.3090000000e-04 -3.5713000000e-03 -2.2007000000e-03  3.8710000000e-03  1.2962000000e-03 -3.4798000000e-03 -2.9812000000e-03  4.7394000000e-03  5.3950000000e-03  7.8726000000e-03 -5.0351000000e-03 -3.4793000000e-03 -7.1840000000e-03  1.4416000000e-03 -1.9251000000e-03 -9.4760000000e-04
-
-JOB 29
-COORDS  9.6705700000e-01  5.1534100000e-01  8.7932800000e-01  1.6120950000e+00 -1.0102300000e-01  1.2261050000e+00  1.0765480000e+00  1.3026520000e+00  1.4126050000e+00 -1.0631060000e+00 -5.5961600000e-01 -9.1434900000e-01 -9.3414200000e-01 -5.7717000000e-02 -1.7191460000e+00 -2.6782000000e-01 -4.0450900000e-01 -4.0474600000e-01
-ENERGY -1.526600478251e+02
-FORCES -7.3500000000e-05  2.7930000000e-03  3.4170000000e-03 -3.6352000000e-03  2.8105000000e-03 -2.1542000000e-03  1.3125000000e-03 -3.9479000000e-03 -1.6490000000e-03  7.0502000000e-03  5.8327000000e-03  3.5257000000e-03 -6.2670000000e-04 -1.4570000000e-03  2.3374000000e-03 -4.0273000000e-03 -6.0314000000e-03 -5.4769000000e-03
-
-JOB 30
-COORDS  9.2192600000e-01  9.5415900000e-01 -5.7031100000e-01  1.3081160000e+00  1.2781100000e-01 -8.6054900000e-01  1.6719770000e+00  1.4988540000e+00 -3.3164300000e-01 -9.7898100000e-01 -9.9467700000e-01  6.1586300000e-01 -3.1707500000e-01 -3.7928400000e-01  3.0057900000e-01 -1.7973910000e+00 -6.8747700000e-01  2.2590900000e-01
-ENERGY -1.526595892442e+02
-FORCES  5.6684000000e-03  1.3491000000e-03 -3.7000000000e-06 -4.8076000000e-03  3.5335000000e-03  4.4406000000e-03 -2.8858000000e-03 -2.8828000000e-03 -2.3022000000e-03  1.3756000000e-03  8.7478000000e-03 -3.0777000000e-03 -1.7311000000e-03 -9.2406000000e-03 -3.7080000000e-04  2.3805000000e-03 -1.5071000000e-03  1.3138000000e-03
-
-JOB 31
-COORDS -2.9863200000e-01 -2.2798000000e-01  1.4659120000e+00 -3.3359000000e-01  9.0869000000e-02  5.6405500000e-01 -1.1250030000e+00 -6.9551900000e-01  1.5873620000e+00  3.2050400000e-01  2.0369100000e-01 -1.3691420000e+00  5.6810600000e-01  1.1243720000e+00 -1.4544190000e+00  4.7676000000e-01 -1.6823900000e-01 -2.2371760000e+00
-ENERGY -1.526593156293e+02
-FORCES -1.2056000000e-03 -1.2500000000e-03 -8.5536000000e-03 -1.7742000000e-03  2.5370000000e-03  8.4279000000e-03  2.6762000000e-03  1.3295000000e-03 -5.4020000000e-04  2.4701000000e-03 -7.9510000000e-04 -3.6218000000e-03 -2.0450000000e-03 -4.7229000000e-03  1.1951000000e-03 -1.2150000000e-04  2.9015000000e-03  3.0925000000e-03
-
-JOB 32
-COORDS -6.1283400000e-01 -7.2149100000e-01 -1.0682800000e+00 -8.2826500000e-01 -1.5031860000e+00 -1.5769790000e+00 -7.4645500000e-01  5.2040000000e-03 -1.6767960000e+00  6.4433400000e-01  7.8956200000e-01  1.1449600000e+00  9.2411300000e-01 -3.9150000000e-03  1.6014140000e+00  1.4053200000e-01  4.7066700000e-01  3.9614700000e-01
-ENERGY -1.526591616940e+02
-FORCES -7.4920000000e-04 -2.1335000000e-03 -3.4356000000e-03  6.4440000000e-04  4.0057000000e-03  1.0971000000e-03  1.2304000000e-03 -3.0797000000e-03  4.7007000000e-03 -2.8543000000e-03 -9.0230000000e-03 -4.5089000000e-03 -1.1390000000e-04  2.9100000000e-03 -1.0690000000e-04  1.8427000000e-03  7.3205000000e-03  2.2536000000e-03
-
-JOB 33
-COORDS -1.4694200000e-01  5.6698000000e-02  1.5351070000e+00 -6.3336500000e-01  8.7398500000e-01  1.4270970000e+00 -2.6037900000e-01 -4.0190600000e-01  7.0261300000e-01  1.3834600000e-01 -1.2949200000e-01 -1.4545840000e+00  1.0543010000e+00  9.9120000000e-03 -1.2141150000e+00 -4.5217000000e-02  5.4920900000e-01 -2.1041240000e+00
-ENERGY -1.526594537108e+02
-FORCES -3.8501000000e-03  1.4286000000e-03 -8.8907000000e-03  1.8193000000e-03 -1.9171000000e-03  1.5539000000e-03  2.5596000000e-03 -1.7330000000e-04  7.2264000000e-03  3.3000000000e-03  4.3161000000e-03 -1.9029000000e-03 -5.2713000000e-03 -1.0513000000e-03 -9.4430000000e-04  1.4425000000e-03 -2.6030000000e-03  2.9575000000e-03
-
-JOB 34
-COORDS  3.6908600000e-01  1.2836220000e+00 -8.1103500000e-01  7.6872800000e-01  1.0632100000e+00  3.0354000000e-02 -4.1329700000e-01  7.3403100000e-01 -8.5641200000e-01 -3.7896600000e-01 -1.1810860000e+00  7.8275300000e-01 -7.9450500000e-01 -1.9875140000e+00  4.7741300000e-01  5.5987100000e-01 -1.3499040000e+00  7.0327600000e-01
-ENERGY -1.526571638209e+02
-FORCES -4.6380000000e-03 -6.5050000000e-03  6.5647000000e-03  2.0382000000e-03  7.6830000000e-04 -2.8718000000e-03  2.1967000000e-03  3.9963000000e-03 -3.7563000000e-03  2.7799000000e-03 -4.8532000000e-03 -1.3723000000e-03  1.8520000000e-03  4.0608000000e-03  7.8520000000e-04 -4.2289000000e-03  2.5329000000e-03  6.5060000000e-04
-
-JOB 35
-COORDS -6.6972900000e-01 -3.7519300000e-01 -1.3444590000e+00 -7.6951400000e-01  5.3727000000e-01 -1.6159130000e+00 -1.4535800000e-01 -3.3172100000e-01 -5.4484800000e-01  6.4639600000e-01  3.1550300000e-01  1.2492860000e+00  2.0999600000e-01 -3.1439600000e-01  1.8228830000e+00  1.0194090000e+00  9.6475600000e-01  1.8455770000e+00
-ENERGY -1.526600279001e+02
-FORCES  4.5456000000e-03  6.3498000000e-03  6.1438000000e-03 -2.9520000000e-04 -2.8223000000e-03 -3.3860000000e-04 -4.5998000000e-03 -4.9478000000e-03 -4.7449000000e-03  3.1040000000e-04  1.7473000000e-03  4.1577000000e-03  2.2017000000e-03  3.0306000000e-03 -3.8034000000e-03 -2.1626000000e-03 -3.3576000000e-03 -1.4147000000e-03
-
-JOB 36
-COORDS  7.6872300000e-01  1.3295900000e-01 -1.3513760000e+00  1.8470400000e-01 -2.4705200000e-01 -6.9506400000e-01  1.6397280000e+00  7.7797000000e-02 -9.5826300000e-01 -7.9325400000e-01 -3.7649000000e-02  1.2779430000e+00 -1.1843300000e-01 -4.2772700000e-01  1.8335400000e+00 -1.3059860000e+00 -7.8258200000e-01  9.6423500000e-01
-ENERGY -1.526559141683e+02
-FORCES -1.5935000000e-03  6.6690000000e-04  9.2465000000e-03  2.5938000000e-03 -3.5883000000e-03 -6.8070000000e-03 -2.6650000000e-03 -2.4130000000e-04 -1.4542000000e-03 -1.0289000000e-03 -2.8090000000e-03  4.7027000000e-03 -2.5749000000e-03  1.7466000000e-03 -4.3919000000e-03  5.2686000000e-03  4.2251000000e-03 -1.2961000000e-03
-
-JOB 37
-COORDS -1.0409730000e+00 -4.0961000000e-02  1.0942600000e+00 -8.4452000000e-02 -6.2142000000e-02  1.0651010000e+00 -1.2695180000e+00 -5.6932400000e-01  1.8590030000e+00  1.0504820000e+00  5.6076000000e-02 -1.0826300000e+00  8.7080600000e-01  9.0995200000e-01 -1.4761310000e+00  4.7284000000e-01 -5.4893800000e-01 -1.5479460000e+00
-ENERGY -1.526591378751e+02
-FORCES  5.5404000000e-03 -8.7810000000e-04  5.0290000000e-04 -6.5014000000e-03 -4.2580000000e-04  4.7214000000e-03  1.6250000000e-03  1.5387000000e-03 -3.4703000000e-03 -5.5975000000e-03  1.0659000000e-03 -4.4147000000e-03  1.2518000000e-03 -3.6297000000e-03  1.4333000000e-03  3.6816000000e-03  2.3290000000e-03  1.2274000000e-03
-
-JOB 38
-COORDS  2.4648700000e-01  1.3403200000e+00 -5.5697900000e-01  1.1971380000e+00  1.4358280000e+00 -6.1504000000e-01 -5.0829000000e-02  2.1485300000e+00 -1.3909000000e-01 -2.8907700000e-01 -1.4543800000e+00  5.0255800000e-01 -9.4036000000e-02 -1.3231010000e+00  1.4304350000e+00 -3.5950200000e-01 -5.6943500000e-01  1.4458500000e-01
-ENERGY -1.526608418231e+02
-FORCES  3.9937000000e-03  4.2026000000e-03  1.7620000000e-04 -4.7576000000e-03  5.5920000000e-04  7.7920000000e-04  1.9376000000e-03 -4.0362000000e-03 -1.4600000000e-03  1.1617000000e-03  8.6937000000e-03 -2.8340000000e-04 -4.3560000000e-04 -4.8940000000e-04 -2.7516000000e-03 -1.8997000000e-03 -8.9300000000e-03  3.5397000000e-03
-
-JOB 39
-COORDS  1.4850290000e+00 -1.5591000000e-01  5.3569000000e-01  1.2813830000e+00  7.3764400000e-01  8.1195300000e-01  6.5651500000e-01 -4.9798500000e-01  1.9986100000e-01 -1.4044550000e+00  1.4490700000e-01 -4.6808800000e-01 -1.5547740000e+00 -7.5858800000e-01 -7.4617500000e-01 -1.5352340000e+00  6.6496100000e-01 -1.2609770000e+00
-ENERGY -1.526583466155e+02
-FORCES -9.6322000000e-03  4.4228000000e-03 -1.3381000000e-03  2.9846000000e-03 -2.1305000000e-03 -2.5490000000e-04  5.6873000000e-03 -4.2422000000e-03  1.0591000000e-03 -2.7048000000e-03  2.3110000000e-04 -5.3721000000e-03  3.4499000000e-03  4.3019000000e-03  2.0447000000e-03  2.1530000000e-04 -2.5832000000e-03  3.8614000000e-03
-
-JOB 40
-COORDS  9.5419200000e-01  6.6678700000e-01 -9.4605500000e-01  9.5348900000e-01  3.9924000000e-01 -1.8651040000e+00  5.2442400000e-01  1.5220820000e+00 -9.4476500000e-01 -9.8516600000e-01 -7.3393800000e-01  9.7015300000e-01 -1.3572300000e-01 -5.5749400000e-01  5.6574400000e-01 -9.6384400000e-01 -2.4841700000e-01  1.7948020000e+00
-ENERGY -1.526601361696e+02
-FORCES -3.0483000000e-03  3.0912000000e-03 -5.0178000000e-03  8.0400000000e-05  1.7224000000e-03  3.9831000000e-03  2.5872000000e-03 -3.6263000000e-03 -5.4900000000e-05  6.4628000000e-03  3.6897000000e-03 -1.7642000000e-03 -5.9380000000e-03 -3.8851000000e-03  6.0067000000e-03 -1.4410000000e-04 -9.9190000000e-04 -3.1529000000e-03
-
-JOB 41
-COORDS  8.8619300000e-01  4.1813200000e-01  1.1790650000e+00  7.4911500000e-01 -3.6046900000e-01  6.3941500000e-01  1.1523870000e+00  7.5061000000e-02  2.0321030000e+00 -8.3148200000e-01 -3.8039300000e-01 -1.2054120000e+00 -1.5011760000e+00 -8.6178800000e-01 -7.1961300000e-01 -1.2623970000e+00  4.3379200000e-01 -1.4655040000e+00
-ENERGY -1.526573126667e+02
-FORCES -3.8220000000e-04 -4.2930000000e-03 -2.9054000000e-03  2.7624000000e-03  1.5984000000e-03  6.9519000000e-03 -1.9877000000e-03  7.1080000000e-04 -3.7438000000e-03 -5.0292000000e-03  4.8701000000e-03  1.0928000000e-03  3.9696000000e-03  1.3746000000e-03 -1.3986000000e-03  6.6710000000e-04 -4.2609000000e-03  3.3000000000e-06
-
-JOB 42
-COORDS  1.2550790000e+00  2.9002000000e-02  8.2404400000e-01  2.0675020000e+00 -4.1694200000e-01  5.8459700000e-01  1.4536690000e+00  9.5995100000e-01  7.2341500000e-01 -1.2978400000e+00 -5.1707000000e-02 -7.3937600000e-01 -1.1680770000e+00  6.1784200000e-01 -1.4110140000e+00 -1.6435920000e+00 -8.0618800000e-01 -1.2162870000e+00
-ENERGY -1.526496966331e+02
-FORCES  1.3330000000e-03  2.2863000000e-03 -2.7938000000e-03 -3.8753000000e-03  1.4036000000e-03  6.6970000000e-04 -6.5010000000e-04 -3.5767000000e-03  2.3440000000e-04  1.8476000000e-03 -9.6130000000e-04 -3.3799000000e-03 -3.0210000000e-04 -2.1152000000e-03  3.1023000000e-03  1.6469000000e-03  2.9633000000e-03  2.1673000000e-03
-
-JOB 43
-COORDS  1.0932850000e+00  1.0607010000e+00 -5.1801400000e-01  1.6455730000e+00  6.5545300000e-01  1.5055500000e-01  2.5760900000e-01  5.9872000000e-01 -4.5130300000e-01 -1.0761120000e+00 -9.4541100000e-01  4.6783400000e-01 -5.3649200000e-01 -1.4750620000e+00  1.0547860000e+00 -1.6367760000e+00 -1.5790290000e+00  2.0154000000e-02
-ENERGY -1.526596099466e+02
-FORCES -4.8676000000e-03 -5.9065000000e-03  4.0864000000e-03 -1.0571000000e-03  1.1836000000e-03 -1.9120000000e-03  6.3655000000e-03  5.4047000000e-03 -2.7555000000e-03 -1.2754000000e-03 -6.0099000000e-03  1.1606000000e-03 -1.9335000000e-03  2.7388000000e-03 -3.0921000000e-03  2.7681000000e-03  2.5893000000e-03  2.5127000000e-03
-
-JOB 44
-COORDS  4.5762400000e-01  1.5438660000e+00 -9.1088000000e-02  6.1327400000e-01  1.5038480000e+00 -1.0347000000e+00  1.3231500000e-01  6.7266100000e-01  1.3564200000e-01 -3.9813500000e-01 -1.4555080000e+00  1.7085500000e-01 -6.2627600000e-01 -1.4648420000e+00 -7.5871300000e-01 -1.0618140000e+00 -2.0060480000e+00  5.8638800000e-01
-ENERGY -1.526593160598e+02
-FORCES -9.6440000000e-04 -7.1067000000e-03 -6.1090000000e-04 -1.0703000000e-03 -3.4650000000e-04  2.8736000000e-03  1.9799000000e-03  8.6687000000e-03 -3.4161000000e-03 -4.4875000000e-03 -5.1037000000e-03 -7.2710000000e-04  1.4869000000e-03  2.0020000000e-03  4.6768000000e-03  3.0554000000e-03  1.8861000000e-03 -2.7964000000e-03
-
-JOB 45
-COORDS -1.2058870000e+00  8.0220900000e-01 -6.5404600000e-01 -4.8600900000e-01  1.9129500000e-01 -4.9658700000e-01 -1.0343010000e+00  1.1554240000e+00 -1.5269890000e+00  1.1086510000e+00 -7.6877900000e-01  6.9930100000e-01  1.3239920000e+00 -1.6942890000e+00  5.8401200000e-01  1.9570020000e+00 -3.2606000000e-01  7.2237300000e-01
-ENERGY -1.526601130773e+02
-FORCES  5.8346000000e-03 -3.2277000000e-03  2.9900000000e-04 -7.1019000000e-03  4.8102000000e-03 -5.2629000000e-03  2.3100000000e-05 -1.3496000000e-03  3.1156000000e-03  5.7404000000e-03 -2.2013000000e-03  2.3126000000e-03 -7.3330000000e-04  4.6725000000e-03  1.3680000000e-04 -3.7629000000e-03 -2.7040000000e-03 -6.0110000000e-04
-
-JOB 46
-COORDS -7.5201700000e-01  1.1750930000e+00  7.7895200000e-01 -6.3748800000e-01  7.0185600000e-01 -4.5161000000e-02 -1.5689720000e+00  8.3209300000e-01  1.1411240000e+00  7.8438200000e-01 -1.1298040000e+00 -8.0533300000e-01  2.3605600000e-01 -1.3018760000e+00 -3.9851000000e-02  1.6256480000e+00 -8.5461000000e-01 -4.4095400000e-01
-ENERGY -1.526576487283e+02
-FORCES -2.2725000000e-03 -1.7566000000e-03 -4.4072000000e-03 -2.3606000000e-03  1.5926000000e-03  7.0202000000e-03  4.1259000000e-03  4.2200000000e-05 -1.5836000000e-03  4.1437000000e-03 -6.9930000000e-04  6.2636000000e-03  9.7000000000e-06  2.5164000000e-03 -4.9895000000e-03 -3.6462000000e-03 -1.6953000000e-03 -2.3035000000e-03
-
-JOB 47
-COORDS -4.8514700000e-01 -3.6971400000e-01 -1.5090500000e+00  2.0176900000e-01  4.8456000000e-02 -9.8990500000e-01 -9.4310500000e-01 -9.3689500000e-01 -8.8871800000e-01  4.7161600000e-01  4.2984900000e-01  1.4072090000e+00  1.2502350000e+00  7.2307000000e-02  1.8339970000e+00 -2.4509300000e-01 -1.2830300000e-01  1.7089140000e+00
-ENERGY -1.526576013508e+02
-FORCES  2.4832000000e-03  1.3867000000e-03  7.9861000000e-03 -2.3902000000e-03 -2.7218000000e-03 -6.4936000000e-03  4.9290000000e-04  1.0974000000e-03 -1.8432000000e-03 -1.2000000000e-04 -2.8267000000e-03  5.6493000000e-03 -3.8334000000e-03  1.3941000000e-03 -2.5284000000e-03  3.3675000000e-03  1.6703000000e-03 -2.7702000000e-03
-
-JOB 48
-COORDS -6.4258500000e-01  1.4560330000e+00 -4.7255700000e-01 -2.0506300000e-01  7.1307700000e-01 -5.6836000000e-02 -5.7976000000e-01  2.1621270000e+00  1.7065100000e-01  6.3952800000e-01 -1.3896230000e+00  3.9744400000e-01 -1.8597300000e-01 -1.5716490000e+00  8.4649600000e-01  1.0018230000e+00 -2.2537040000e+00  2.0164200000e-01
-ENERGY -1.526587072548e+02
-FORCES  4.3898000000e-03 -1.9977000000e-03  3.1706000000e-03 -5.9481000000e-03  6.2175000000e-03 -8.7100000000e-05 -3.8120000000e-04 -2.8939000000e-03 -2.1059000000e-03  2.1700000000e-05 -7.0054000000e-03 -4.8260000000e-04  3.9877000000e-03  2.6971000000e-03 -2.3318000000e-03 -2.0698000000e-03  2.9824000000e-03  1.8369000000e-03
-
-JOB 49
-COORDS  4.0971600000e-01 -1.5786150000e+00  3.1257800000e-01  4.0467500000e-01 -6.4613200000e-01  9.6521000000e-02  1.3028060000e+00 -1.7510570000e+00  6.1071400000e-01 -4.6991300000e-01  1.4727180000e+00 -2.8331400000e-01 -1.8694200000e-01  2.2982630000e+00  1.0992200000e-01 -6.2668100000e-01  1.6863250000e+00 -1.2031120000e+00
-ENERGY -1.526598584997e+02
-FORCES  1.4995000000e-03  5.9508000000e-03  3.2100000000e-05  3.0144000000e-03 -9.0341000000e-03  9.5550000000e-04 -3.0509000000e-03  9.6740000000e-04 -1.0061000000e-03 -1.4713000000e-03  6.3246000000e-03 -2.1377000000e-03 -1.1899000000e-03 -3.5505000000e-03 -2.2771000000e-03  1.1982000000e-03 -6.5810000000e-04  4.4333000000e-03
-
-JOB 50
-COORDS -9.7203700000e-01  9.5930600000e-01 -9.1284900000e-01 -3.0684500000e-01  1.6317110000e+00 -7.6580500000e-01 -9.3826900000e-01  7.9016400000e-01 -1.8543810000e+00  9.4028100000e-01 -1.0479520000e+00  9.7704000000e-01  1.6324420000e+00 -3.8717100000e-01  9.9971100000e-01  1.8834900000e-01 -5.9486500000e-01  5.9554000000e-01
-ENERGY -1.526584096000e+02
-FORCES  1.0935000000e-03  3.5330000000e-03 -6.1602000000e-03 -2.1602000000e-03 -4.4291000000e-03  3.2440000000e-04 -5.4300000000e-05  1.3848000000e-03  4.3750000000e-03 -2.6777000000e-03  5.1151000000e-03 -2.9077000000e-03 -2.3119000000e-03 -1.9616000000e-03 -2.7990000000e-04  6.1106000000e-03 -3.6422000000e-03  4.6484000000e-03
-
-JOB 51
-COORDS  2.1674400000e-01 -1.6796030000e+00 -4.0523100000e-01  2.5658600000e-01 -1.5337470000e+00 -1.3504130000e+00  1.5531300000e-01 -8.0147200000e-01 -2.9273000000e-02 -1.7993100000e-01  1.5676630000e+00  4.3146400000e-01  9.0500000000e-02  2.4747110000e+00  2.8876300000e-01 -1.1040870000e+00  1.6279990000e+00  6.7338400000e-01
-ENERGY -1.526595719148e+02
-FORCES  5.4150000000e-04  6.8240000000e-03 -1.6290000000e-03 -2.0780000000e-04 -1.2238000000e-03  2.9351000000e-03 -7.2950000000e-04 -7.9870000000e-03 -1.5596000000e-03 -1.9542000000e-03  6.3587000000e-03  8.4090000000e-04 -2.0651000000e-03 -3.4798000000e-03  8.0480000000e-04  4.4151000000e-03 -4.9210000000e-04 -1.3922000000e-03
-
-JOB 52
-COORDS -1.2203470000e+00  3.3241700000e-01  1.0776120000e+00 -2.0854780000e+00  4.4784200000e-01  1.4706220000e+00 -6.0722800000e-01  5.0400500000e-01  1.7923670000e+00  1.2728170000e+00 -3.2360000000e-01 -1.0935950000e+00  8.4521200000e-01 -1.1796190000e+00 -1.0687680000e+00  8.9990700000e-01  1.0875100000e-01 -1.8618680000e+00
-ENERGY -1.526547177181e+02
-FORCES  7.3360000000e-04  1.8298000000e-03  4.8994000000e-03  3.6946000000e-03 -6.1040000000e-04 -2.2007000000e-03 -3.6936000000e-03 -8.2910000000e-04 -2.0945000000e-03 -6.0716000000e-03 -1.0542000000e-03 -1.7913000000e-03  3.0432000000e-03  2.5059000000e-03 -9.2860000000e-04  2.2937000000e-03 -1.8420000000e-03  2.1158000000e-03
-
-JOB 53
-COORDS  1.0118400000e-01 -3.0958000000e-02 -1.7518500000e+00 -6.5564700000e-01 -6.1194700000e-01 -1.8285990000e+00 -8.8990000000e-02  5.1100800000e-01 -9.8612300000e-01  6.4280000000e-03  7.6356000000e-02  1.7125860000e+00 -7.9054000000e-02 -7.0812400000e-01  2.2543570000e+00 -8.0073300000e-01  1.0225800000e-01  1.1987260000e+00
-ENERGY -1.526528535825e+02
-FORCES -1.8298000000e-03 -1.1060000000e-04  3.7316000000e-03  2.7710000000e-03  2.5493000000e-03  1.0644000000e-03 -2.3612000000e-03 -2.2439000000e-03 -3.6426000000e-03 -2.9241000000e-03 -4.9295000000e-03  1.5372000000e-03  2.9100000000e-05  3.6822000000e-03 -2.0366000000e-03  4.3150000000e-03  1.0525000000e-03 -6.5400000000e-04
-
-JOB 54
-COORDS  3.8902500000e-01  1.4380820000e+00 -8.4230500000e-01  4.3035600000e-01  1.3780450000e+00  1.1211600000e-01  1.0911880000e+00  2.0455060000e+00 -1.0751890000e+00 -4.2455200000e-01 -1.4058790000e+00  7.8682400000e-01 -1.1907870000e+00 -1.8447910000e+00  1.1562450000e+00  2.3135100000e-01 -2.0979920000e+00  7.0313400000e-01
-ENERGY -1.526549830873e+02
-FORCES  1.8649000000e-03  6.1870000000e-04  4.2895000000e-03  9.4060000000e-04  3.0828000000e-03 -4.4608000000e-03 -2.6568000000e-03 -2.8525000000e-03  8.5510000000e-04 -7.2990000000e-04 -5.4691000000e-03 -2.2840000000e-04  3.3262000000e-03  1.8648000000e-03 -1.4477000000e-03 -2.7451000000e-03  2.7554000000e-03  9.9230000000e-04
-
-JOB 55
-COORDS  6.5529300000e-01  1.1298740000e+00 -1.1300270000e+00  2.6310300000e-01  3.4930200000e-01 -1.5213420000e+00  3.0235600000e-01  1.8579150000e+00 -1.6415190000e+00 -6.5045200000e-01 -1.0985680000e+00  1.1391190000e+00  3.0359300000e-01 -1.0335860000e+00  1.1816340000e+00 -8.8471800000e-01 -1.6717680000e+00  1.8690450000e+00
-ENERGY -1.526558185365e+02
-FORCES -4.8181000000e-03 -1.6550000000e-04 -3.1380000000e-03  3.1790000000e-03  3.4771000000e-03  7.5790000000e-04  1.5461000000e-03 -2.8114000000e-03  1.6715000000e-03  3.5438000000e-03 -8.4870000000e-04  3.8058000000e-03 -4.4213000000e-03 -2.1941000000e-03 -1.8160000000e-04  9.7050000000e-04  2.5425000000e-03 -2.9156000000e-03
-
-JOB 56
-COORDS -6.9085300000e-01 -1.4678030000e+00 -6.6786900000e-01 -7.8239400000e-01 -1.4451860000e+00  2.8467500000e-01  8.9759000000e-02 -2.0000750000e+00 -8.2137300000e-01  6.4125900000e-01  1.5009350000e+00  6.9024000000e-01  9.2963200000e-01  7.1074200000e-01  2.3343900000e-01  5.6860800000e-01  2.1627120000e+00  2.4870000000e-03
-ENERGY -1.526560536471e+02
-FORCES  1.6600000000e-05 -3.5960000000e-03  3.7112000000e-03  1.5537000000e-03 -4.7650000000e-04 -4.8750000000e-03 -2.6006000000e-03  3.8051000000e-03  8.7940000000e-04 -5.0890000000e-04 -9.0690000000e-04 -6.5328000000e-03  7.2150000000e-04  3.2299000000e-03  3.7978000000e-03  8.1760000000e-04 -2.0555000000e-03  3.0194000000e-03
-
-JOB 57
-COORDS  8.1483300000e-01  1.3031200000e-01 -1.5798200000e+00  2.8106000000e-02  1.0933100000e-01 -1.0349800000e+00  7.6109000000e-01 -6.6505000000e-01 -2.1096720000e+00 -7.6974700000e-01 -2.1478000000e-02  1.5560910000e+00  2.0501000000e-02 -5.1912800000e-01  1.7660540000e+00 -1.4880600000e+00 -6.3443500000e-01  1.7127480000e+00
-ENERGY -1.526577639867e+02
-FORCES -4.5837000000e-03 -2.0095000000e-03  1.2137000000e-03  4.7030000000e-03 -9.9690000000e-04 -5.6930000000e-03  2.0170000000e-04  2.7793000000e-03  2.3961000000e-03  6.8090000000e-04 -4.1319000000e-03  4.9114000000e-03 -4.3829000000e-03  1.8257000000e-03 -1.3401000000e-03  3.3810000000e-03  2.5334000000e-03 -1.4881000000e-03
-
-JOB 58
-COORDS -1.0629110000e+00  1.4370200000e+00 -2.8434200000e-01 -1.4539320000e+00  1.2246080000e+00 -1.1318180000e+00 -1.2702380000e+00  6.8530200000e-01  2.7078700000e-01  1.0607100000e+00 -1.4304090000e+00  3.3653800000e-01  1.9454250000e+00 -1.5164020000e+00 -1.8591000000e-02  8.2733900000e-01 -5.1531500000e-01  1.8042000000e-01
-ENERGY -1.526571912791e+02
-FORCES -5.7724000000e-03 -2.6281000000e-03 -1.5878000000e-03  2.0132000000e-03  1.0878000000e-03  3.7813000000e-03  3.6046000000e-03  3.3573000000e-03 -3.0222000000e-03  3.7539000000e-03  4.2110000000e-03 -2.4155000000e-03 -3.4623000000e-03  1.4880000000e-04  1.3332000000e-03 -1.3710000000e-04 -6.1768000000e-03  1.9110000000e-03
-
-JOB 59
-COORDS -3.8863200000e-01 -3.2526100000e-01  1.7237010000e+00 -6.1085900000e-01  1.0982000000e-01  2.5468360000e+00 -9.9256000000e-01 -1.0661740000e+00  1.6732020000e+00  3.9196900000e-01  3.0186700000e-01 -1.7844430000e+00  4.3975100000e-01  7.0227500000e-01 -9.1632800000e-01  1.1270080000e+00  6.8255000000e-01 -2.2651000000e+00
-ENERGY -1.526570695731e+02
-FORCES -4.0901000000e-03 -2.6764000000e-03  3.6076000000e-03  9.9320000000e-04 -1.7547000000e-03 -3.5326000000e-03  2.4199000000e-03  3.3134000000e-03  1.1455000000e-03  2.8345000000e-03  2.6363000000e-03  3.3527000000e-03  6.3100000000e-04 -1.6050000000e-04 -6.4449000000e-03 -2.7885000000e-03 -1.3581000000e-03  1.8717000000e-03
-
-JOB 60
-COORDS -2.2398300000e-01 -1.5789790000e+00 -1.0579530000e+00 -7.0507500000e-01 -1.2791860000e+00 -2.8665100000e-01 -9.0433000000e-01 -1.8377840000e+00 -1.6795480000e+00  2.5409000000e-01  1.5189350000e+00  1.0551840000e+00  2.7791500000e-01  2.1301140000e+00  3.1889300000e-01  9.3717400000e-01  1.8312730000e+00  1.6485420000e+00
-ENERGY -1.526558088956e+02
-FORCES -4.3551000000e-03  9.3680000000e-04  2.0194000000e-03  1.0181000000e-03 -3.0855000000e-03 -4.3658000000e-03  2.7208000000e-03  1.2613000000e-03  2.3085000000e-03  3.9671000000e-03  3.8722000000e-03 -1.0720000000e-03 -4.5650000000e-04 -1.9974000000e-03  3.4750000000e-03 -2.8943000000e-03 -9.8750000000e-04 -2.3651000000e-03
-
-JOB 61
-COORDS  1.8545400000e-01  7.5062000000e-02  1.9560620000e+00 -3.6462600000e-01 -3.8869500000e-01  1.3247350000e+00  1.0792120000e+00 -6.2406000000e-02  1.6421660000e+00 -1.7505800000e-01 -5.2458000000e-02 -1.8394200000e+00  8.4970000000e-03  6.3476700000e-01 -2.4799370000e+00 -8.7169900000e-01 -5.7318900000e-01 -2.2391230000e+00
-ENERGY -1.526563412371e+02
-FORCES  1.3687000000e-03 -2.0269000000e-03 -6.2382000000e-03  1.2943000000e-03  8.5550000000e-04  4.6112000000e-03 -2.8045000000e-03  5.2180000000e-04  2.4738000000e-03 -1.9460000000e-03  1.7991000000e-03 -5.3064000000e-03 -7.9540000000e-04 -3.2298000000e-03  2.2843000000e-03  2.8829000000e-03  2.0803000000e-03  2.1754000000e-03
-
-JOB 62
-COORDS  1.6239400000e-01  9.4929700000e-01 -1.6205360000e+00  6.7393600000e-01  1.5112400000e+00 -2.2025800000e+00 -2.6841000000e-02  1.7057800000e-01 -2.1440040000e+00 -1.3848700000e-01 -9.7693900000e-01  1.7011050000e+00 -3.7148000000e-02 -2.6171600000e-01  1.0730780000e+00 -1.0090680000e+00 -8.4511400000e-01  2.0765280000e+00
-ENERGY -1.526576311897e+02
-FORCES  1.9137000000e-03 -2.4370000000e-04 -5.9549000000e-03 -2.3446000000e-03 -2.5155000000e-03  2.0041000000e-03  7.4240000000e-04  3.5918000000e-03  2.3598000000e-03 -2.5982000000e-03  4.5290000000e-03 -1.8251000000e-03 -9.3030000000e-04 -4.6182000000e-03  4.7406000000e-03  3.2170000000e-03 -7.4330000000e-04 -1.3244000000e-03
-
-JOB 63
-COORDS  4.4545900000e-01  1.3738540000e+00 -1.2758480000e+00  1.3087690000e+00  1.6037090000e+00 -9.3220000000e-01  4.4060900000e-01  1.7243460000e+00 -2.1665580000e+00 -5.2693800000e-01 -1.4155050000e+00  1.3690090000e+00 -1.0022170000e+00 -1.5138450000e+00  5.4398100000e-01  3.7573200000e-01 -1.2358960000e+00  1.1060270000e+00
-ENERGY -1.526552601299e+02
-FORCES  3.3479000000e-03  3.7141000000e-03 -2.4710000000e-03 -3.4934000000e-03 -1.6514000000e-03 -1.4276000000e-03  3.1800000000e-05 -1.5657000000e-03  3.7937000000e-03  1.5347000000e-03  1.9110000000e-03 -5.8043000000e-03  1.3338000000e-03 -9.9620000000e-04  3.8355000000e-03 -2.7547000000e-03 -1.4119000000e-03  2.0737000000e-03
-
-JOB 64
-COORDS  1.3145590000e+00 -8.3592600000e-01 -1.2512040000e+00  5.9420500000e-01 -2.2385200000e-01 -1.4018240000e+00  1.9848470000e+00 -5.7809300000e-01 -1.8840290000e+00 -1.2486390000e+00  7.7515800000e-01  1.2581140000e+00 -1.6620910000e+00  1.7681400000e-01  1.8804280000e+00 -1.8235140000e+00  1.5403470000e+00  1.2427640000e+00
-ENERGY -1.526550612324e+02
-FORCES -1.1095000000e-03  4.2509000000e-03 -1.9462000000e-03  3.8234000000e-03 -3.0397000000e-03 -1.4152000000e-03 -2.6112000000e-03 -1.0093000000e-03  2.4623000000e-03 -3.9620000000e-03  6.2100000000e-05  3.7551000000e-03  1.3211000000e-03  2.9189000000e-03 -2.5103000000e-03  2.5383000000e-03 -3.1829000000e-03 -3.4570000000e-04
-
-JOB 65
-COORDS -1.2409870000e+00 -4.4965900000e-01  1.5908900000e+00 -1.6564060000e+00  3.7936400000e-01  1.8283360000e+00 -3.8478800000e-01 -4.1999600000e-01  2.0178280000e+00  1.1515900000e+00  3.8342300000e-01 -1.6351460000e+00  1.6370330000e+00  9.1459700000e-01 -1.0039310000e+00  1.8174280000e+00  6.9529000000e-02 -2.2469970000e+00
-ENERGY -1.526527882950e+02
-FORCES  1.9314000000e-03  3.4111000000e-03  1.7189000000e-03  1.7654000000e-03 -3.3466000000e-03 -7.2160000000e-04 -3.3674000000e-03  8.4100000000e-05 -1.3206000000e-03  4.4020000000e-03  6.4330000000e-04  1.6300000000e-05 -1.9155000000e-03 -2.0870000000e-03 -2.2772000000e-03 -2.8160000000e-03  1.2951000000e-03  2.5843000000e-03
-
-JOB 66
-COORDS -8.2773900000e-01 -7.2799200000e-01  1.8584170000e+00 -1.0222320000e+00 -2.7611800000e-01  1.0373110000e+00 -1.6077550000e+00 -1.2545600000e+00  2.0331570000e+00  9.0788900000e-01  7.9908000000e-01 -1.8037760000e+00  1.3007440000e+00 -2.6207000000e-02 -1.5195260000e+00  1.5269700000e-01  5.3664800000e-01 -2.3301280000e+00
-ENERGY -1.526548128270e+02
-FORCES -4.0212000000e-03  6.1460000000e-04 -2.2665000000e-03  3.8570000000e-04 -3.0820000000e-03  3.4887000000e-03  3.2443000000e-03  2.0906000000e-03 -9.2740000000e-04  3.4900000000e-05 -4.3740000000e-03 -1.8280000000e-03 -2.2931000000e-03  3.6806000000e-03 -1.3971000000e-03  2.6494000000e-03  1.0702000000e-03  2.9302000000e-03
-
-JOB 67
-COORDS -3.3502000000e-02  1.7800680000e+00 -1.1894320000e+00 -5.0724800000e-01  1.0664680000e+00 -1.6167150000e+00  2.0216400000e-01  2.3728440000e+00 -1.9030910000e+00  6.5690000000e-02 -1.8286630000e+00  1.2082760000e+00  2.0355400000e-01 -8.8863200000e-01  1.0918030000e+00 -4.1287800000e-01 -1.9005210000e+00  2.0341340000e+00
-ENERGY -1.526559824440e+02
-FORCES -8.2170000000e-04  8.2300000000e-05 -5.5200000000e-03  2.1107000000e-03  3.1376000000e-03  2.2780000000e-03 -1.1628000000e-03 -2.4254000000e-03  2.7895000000e-03 -8.7900000000e-04  4.0939000000e-03  3.1425000000e-03 -1.0943000000e-03 -5.0352000000e-03  5.9730000000e-04  1.8471000000e-03  1.4680000000e-04 -3.2873000000e-03
-
-JOB 68
-COORDS -5.4754300000e-01  4.9538500000e-01 -2.0711580000e+00 -1.3035190000e+00 -9.1646000000e-02 -2.0598470000e+00 -9.2166600000e-01  1.3658740000e+00 -2.2072180000e+00  5.6656200000e-01 -5.2520100000e-01  2.0404740000e+00  1.1312020000e+00  2.4555900000e-01  2.0982920000e+00  8.8889000000e-01 -1.1107650000e+00  2.7256390000e+00
-ENERGY -1.526537759926e+02
-FORCES -4.8303000000e-03  5.1870000000e-04  3.7440000000e-04  2.8889000000e-03  2.5576000000e-03 -7.8110000000e-04  1.7019000000e-03 -3.3463000000e-03  4.9860000000e-04  4.0260000000e-03  1.0903000000e-03  2.2624000000e-03 -2.3296000000e-03 -3.1193000000e-03  4.5990000000e-04 -1.4569000000e-03  2.2989000000e-03 -2.8142000000e-03
-
-JOB 69
-COORDS  1.0858280000e+00 -5.1914100000e-01 -1.9640380000e+00  2.1766800000e-01 -5.8006400000e-01 -1.5655170000e+00  9.4571400000e-01 -2.1498000000e-02 -2.7696130000e+00 -1.0809880000e+00  5.2244000000e-01  1.9550420000e+00 -6.2919400000e-01  7.9453400000e-01  2.7538400000e+00 -6.2116800000e-01 -2.6979200000e-01  1.6772530000e+00
-ENERGY -1.526546430751e+02
-FORCES -4.3562000000e-03  2.4989000000e-03 -2.0842000000e-03  3.8806000000e-03 -4.9580000000e-04 -1.0835000000e-03  6.9500000000e-04 -2.1999000000e-03  3.1262000000e-03  4.2916000000e-03 -1.8345000000e-03  2.8304000000e-03 -2.0665000000e-03 -1.1544000000e-03 -3.1340000000e-03 -2.4445000000e-03  3.1857000000e-03  3.4520000000e-04
-
-JOB 70
-COORDS -9.2276000000e-02 -1.9975200000e+00 -1.1225170000e+00 -5.2486100000e-01 -1.2999900000e+00 -1.6150140000e+00 -7.9731300000e-01 -2.6038730000e+00 -8.9560100000e-01  1.1369700000e-01  2.0173460000e+00  1.1815700000e+00  6.6844100000e-01  2.4841060000e+00  5.5656900000e-01  2.3343200000e-01  1.0927200000e+00  9.6486600000e-01
-ENERGY -1.526553945972e+02
-FORCES -5.0993000000e-03 -8.4040000000e-04 -1.7971000000e-03  2.2423000000e-03 -2.4699000000e-03  2.6190000000e-03  3.0033000000e-03  2.6432000000e-03 -9.9150000000e-04  3.3326000000e-03 -2.3572000000e-03 -3.0189000000e-03 -2.4623000000e-03 -1.7433000000e-03  2.3350000000e-03 -1.0166000000e-03  4.7676000000e-03  8.5350000000e-04
-
-JOB 71
-COORDS  1.5833900000e+00 -1.5451440000e+00 -7.8744500000e-01  1.7418000000e+00 -2.4768200000e+00 -6.3539900000e-01  6.5412600000e-01 -1.4930690000e+00 -1.0110240000e+00 -1.5977420000e+00  1.5569700000e+00  7.6989100000e-01 -7.0952200000e-01  1.2200590000e+00  8.8731300000e-01 -1.5334370000e+00  2.4857890000e+00  9.9213400000e-01
-ENERGY -1.526553453138e+02
-FORCES -3.0585000000e-03 -4.2145000000e-03 -8.8940000000e-04 -6.2830000000e-04  3.8356000000e-03 -6.4050000000e-04  4.1743000000e-03  6.2400000000e-05  1.4515000000e-03  4.2035000000e-03  2.7833000000e-03  1.6098000000e-03 -4.3331000000e-03  1.2545000000e-03 -7.0230000000e-04 -3.5790000000e-04 -3.7213000000e-03 -8.2910000000e-04
-
-JOB 72
-COORDS  1.0141540000e+00  6.3268100000e-01 -2.2960470000e+00  1.7038450000e+00  1.1930070000e+00 -1.9402470000e+00  2.8966900000e-01  7.2122500000e-01 -1.6767630000e+00 -9.4871900000e-01 -6.5816000000e-01  2.2665760000e+00 -1.5349490000e+00 -1.3972510000e+00  2.4287810000e+00 -1.4703470000e+00 -4.8048000000e-02  1.7451350000e+00
-ENERGY -1.526539792605e+02
-FORCES  2.8000000000e-04  2.3029000000e-03  4.4496000000e-03 -2.8850000000e-03 -2.0984000000e-03 -1.6901000000e-03  2.4048000000e-03 -6.8200000000e-05 -2.7417000000e-03 -4.7783000000e-03 -1.1049000000e-03 -9.5010000000e-04  2.3851000000e-03  3.2030000000e-03 -6.4580000000e-04  2.5934000000e-03 -2.2344000000e-03  1.5780000000e-03
-
-JOB 73
-COORDS  3.9247500000e-01  2.5106830000e+00  1.8134600000e-01  1.0267310000e+00  2.8961180000e+00 -4.2312900000e-01  8.1864200000e-01  2.5557300000e+00  1.0372580000e+00 -4.5307000000e-01 -2.5597420000e+00 -2.4964900000e-01 -4.4168400000e-01 -3.0619330000e+00  5.6515600000e-01 -4.1610000000e-01 -1.6454780000e+00  3.1398000000e-02
-ENERGY -1.526549175633e+02
-FORCES  4.4817000000e-03  2.5636000000e-03  6.6280000000e-04 -2.6080000000e-03 -1.5799000000e-03  2.6759000000e-03 -1.8599000000e-03 -5.9800000000e-04 -3.4932000000e-03 -7.3000000000e-06  2.2849000000e-03  4.2344000000e-03  3.8100000000e-05  1.9431000000e-03 -3.2020000000e-03 -4.4600000000e-05 -4.6137000000e-03 -8.7780000000e-04
-
-JOB 74
-COORDS  1.2823300000e+00  1.8585440000e+00 -1.5089980000e+00  2.0331800000e+00  2.0426970000e+00 -2.0733940000e+00  1.3674280000e+00  2.4800350000e+00 -7.8599200000e-01 -1.3522660000e+00 -1.8620730000e+00  1.5515980000e+00 -1.6034960000e+00 -2.7660530000e+00  1.3620280000e+00 -7.0022200000e-01 -1.6491620000e+00  8.8396100000e-01
-ENERGY -1.526547972431e+02
-FORCES  3.3471000000e-03  3.7283000000e-03  5.8960000000e-04 -3.0594000000e-03 -8.2090000000e-04  2.3268000000e-03 -2.2320000000e-04 -2.6613000000e-03 -3.0390000000e-03  1.7126000000e-03 -2.4710000000e-03 -3.9074000000e-03  9.8700000000e-04  3.5422000000e-03  8.4870000000e-04 -2.7640000000e-03 -1.3173000000e-03  3.1812000000e-03
-
-JOB 75
-COORDS  1.4157910000e+00  1.5622080000e+00 -1.8027210000e+00  1.3965680000e+00  9.3987800000e-01 -1.0756950000e+00  2.3339400000e+00  1.8243170000e+00 -1.8700470000e+00 -1.5012520000e+00 -1.5024190000e+00  1.7158030000e+00 -9.3708500000e-01 -2.2554970000e+00  1.5402460000e+00 -1.5281620000e+00 -1.4401230000e+00  2.6705940000e+00
-ENERGY -1.526541337668e+02
-FORCES  3.1813000000e-03 -1.5173000000e-03  2.9512000000e-03  6.8000000000e-04  2.5480000000e-03 -3.2364000000e-03 -3.6823000000e-03 -1.0858000000e-03  2.6320000000e-04  1.5835000000e-03 -3.0462000000e-03  3.3681000000e-03 -2.0164000000e-03  3.3588000000e-03  6.4100000000e-04  2.5390000000e-04 -2.5730000000e-04 -3.9871000000e-03
-
-JOB 76
-COORDS -1.5051740000e+00  8.0696500000e-01  2.1780850000e+00 -2.3326210000e+00  1.2650820000e+00  2.3253670000e+00 -1.1446740000e+00  1.2105050000e+00  1.3885110000e+00  1.5320260000e+00 -9.1055600000e-01 -2.1336470000e+00  2.1953850000e+00 -3.9298100000e-01 -2.5900490000e+00  8.7488300000e-01 -2.7069500000e-01 -1.8598320000e+00
-ENERGY -1.526533864282e+02
-FORCES -2.0422000000e-03  3.4651000000e-03 -2.3102000000e-03  3.4829000000e-03 -1.8805000000e-03 -6.6490000000e-04 -1.3375000000e-03 -1.7053000000e-03  2.8091000000e-03  1.4390000000e-04  4.4725000000e-03 -7.1950000000e-04 -2.8171000000e-03 -2.0811000000e-03  1.9065000000e-03  2.5701000000e-03 -2.2707000000e-03 -1.0209000000e-03
-
-JOB 77
-COORDS -2.9207000000e-02  2.8911670000e+00  1.2130500000e-01  4.3850500000e-01  2.8124180000e+00 -7.1012500000e-01 -8.4608500000e-01  2.4116370000e+00 -1.6513000000e-02  2.5887000000e-02 -2.9016610000e+00 -2.2876000000e-02  2.5062200000e-01 -1.9751620000e+00  6.2710000000e-02  1.8369700000e-01 -3.1026660000e+00 -9.4533200000e-01
-ENERGY -1.526539512854e+02
-FORCES -1.7192000000e-03 -1.5258000000e-03 -3.9224000000e-03 -1.8856000000e-03 -7.8500000000e-05  3.5032000000e-03  3.6970000000e-03  1.6327000000e-03  5.1150000000e-04  1.8636000000e-03  2.7814000000e-03 -3.1304000000e-03 -1.2174000000e-03 -3.7866000000e-03 -6.9490000000e-04 -7.3850000000e-04  9.7680000000e-04  3.7331000000e-03
-
-JOB 78
-COORDS  2.1942410000e+00 -1.9376600000e-01 -1.9411580000e+00  1.2851570000e+00 -3.8022000000e-01 -2.1757480000e+00  2.3056740000e+00  7.3722100000e-01 -2.1337140000e+00 -2.1771140000e+00  2.0858400000e-01  1.9555830000e+00 -2.5148890000e+00 -5.1018100000e-01  2.4899200000e+00 -1.3517260000e+00 -1.2273600000e-01  1.6017570000e+00
-ENERGY -1.526544699826e+02
-FORCES -3.0255000000e-03  3.2461000000e-03 -2.2265000000e-03  3.6739000000e-03  6.3080000000e-04  1.3566000000e-03 -4.6920000000e-04 -3.9019000000e-03  8.5690000000e-04  2.1470000000e-03 -4.3292000000e-03  1.0725000000e-03  1.3198000000e-03  2.9327000000e-03 -2.2297000000e-03 -3.6461000000e-03  1.4214000000e-03  1.1702000000e-03
-
-JOB 79
-COORDS  6.1109000000e-01 -3.1503100000e-01 -2.9304000000e+00 -3.2587200000e-01 -3.7935600000e-01 -2.7454770000e+00  1.0108060000e+00 -9.9029800000e-01 -2.3822460000e+00 -5.3543100000e-01  3.3428400000e-01  2.8503830000e+00 -6.3712200000e-01  1.5329100000e-01  3.7847990000e+00 -1.2704120000e+00  9.0874100000e-01  2.6358280000e+00
-ENERGY -1.526543727220e+02
-FORCES -2.0586000000e-03 -2.9854000000e-03  3.5005000000e-03  3.6389000000e-03  3.2000000000e-04 -9.8910000000e-04 -1.5946000000e-03  2.6080000000e-03 -2.5883000000e-03 -3.2831000000e-03  1.8793000000e-03  3.1378000000e-03  3.8040000000e-04  6.9980000000e-04 -3.8563000000e-03  2.9170000000e-03 -2.5217000000e-03  7.9540000000e-04
-
-JOB 80
-COORDS  9.1068600000e-01 -1.9127620000e+00  2.2573770000e+00  6.8860700000e-01 -1.8286190000e+00  1.3301050000e+00  1.2633990000e+00 -1.0561700000e+00  2.4983650000e+00 -9.0006400000e-01  1.8066450000e+00 -2.2495100000e+00 -1.3903600000e+00  2.5345190000e+00 -2.6316640000e+00 -7.4289800000e-01  2.0725810000e+00 -1.3435250000e+00
-ENERGY -1.526541620699e+02
-FORCES  6.1050000000e-04  3.5805000000e-03 -3.0139000000e-03  9.1960000000e-04 -2.0070000000e-04  4.0521000000e-03 -1.5400000000e-03 -3.3364000000e-03 -9.5050000000e-04 -1.6430000000e-03  4.3397000000e-03  1.8125000000e-03  2.0620000000e-03 -2.9804000000e-03  1.6250000000e-03 -4.0910000000e-04 -1.4027000000e-03 -3.5252000000e-03
-
-JOB 81
-COORDS -1.9196520000e+00 -4.3529900000e-01 -2.6414360000e+00 -1.7999310000e+00 -1.3812820000e+00 -2.5576880000e+00 -1.5061550000e+00 -7.0854000000e-02 -1.8588550000e+00  1.8595110000e+00  4.7626500000e-01  2.6416590000e+00  2.0535610000e+00  1.0126010000e+00  1.8729470000e+00  2.3556330000e+00 -3.3047500000e-01  2.5028610000e+00
-ENERGY -1.526541031375e+02
-FORCES  1.8866000000e-03 -2.4026000000e-03  3.6956000000e-03 -3.7250000000e-04  3.8666000000e-03 -4.0660000000e-04 -1.4572000000e-03 -1.4534000000e-03 -3.3697000000e-03  3.2284000000e-03 -9.1760000000e-04 -3.3419000000e-03 -1.0665000000e-03 -2.3689000000e-03  2.9988000000e-03 -2.2188000000e-03  3.2758000000e-03  4.2380000000e-04
-
-JOB 82
-COORDS  1.7078520000e+00  4.9795700000e-01 -2.9083320000e+00  1.9574460000e+00 -1.7663200000e-01 -2.2767740000e+00  2.5332570000e+00  9.1888800000e-01 -3.1486530000e+00 -1.7705410000e+00 -5.6020300000e-01  2.8871570000e+00 -1.1273210000e+00  7.0900000000e-03  3.3122190000e+00 -2.3882460000e+00  4.3918000000e-02  2.4751960000e+00
-ENERGY -1.526542490963e+02
-FORCES  4.3488000000e-03 -1.2398000000e-03  1.5707000000e-03 -9.3040000000e-04  2.8900000000e-03 -2.6181000000e-03 -3.3721000000e-03 -1.6569000000e-03  1.0111000000e-03 -3.3900000000e-05  4.8720000000e-03 -6.9400000000e-05 -2.5280000000e-03 -2.3735000000e-03 -1.7020000000e-03  2.5156000000e-03 -2.4918000000e-03  1.8077000000e-03
-
-JOB 83
-COORDS  1.6438540000e+00  7.2060400000e-01 -2.9639980000e+00  2.0271860000e+00  7.4293000000e-02 -2.3710640000e+00  2.3720580000e+00  9.9793000000e-01 -3.5199130000e+00 -1.7062650000e+00 -7.1777500000e-01  3.0283390000e+00 -1.2155520000e+00 -2.8316000000e-02  2.5810360000e+00 -2.3034610000e+00 -1.0580990000e+00  2.3621790000e+00
-ENERGY -1.526543524203e+02
-FORCES  4.7042000000e-03 -1.4941000000e-03 -8.1600000000e-05 -1.7219000000e-03  2.6869000000e-03 -2.2916000000e-03 -2.9831000000e-03 -1.1470000000e-03  2.3027000000e-03 -5.7580000000e-04  1.5706000000e-03 -4.6240000000e-03 -1.8846000000e-03 -2.9101000000e-03  1.9183000000e-03  2.4611000000e-03  1.2937000000e-03  2.7763000000e-03
-
-JOB 84
-COORDS  3.5254600000e-01 -3.7493120000e+00 -1.0516300000e+00  7.8038100000e-01 -3.4771620000e+00 -1.8634940000e+00  5.2094100000e-01 -3.0327490000e+00 -4.3973700000e-01 -3.8259600000e-01  3.6618480000e+00  1.1163160000e+00 -9.8022100000e-01  3.5499050000e+00  3.7702900000e-01  1.7817800000e-01  4.3949590000e+00  8.6271600000e-01
-ENERGY -1.526542006264e+02
-FORCES  2.4633000000e-03  4.0647000000e-03 -6.6500000000e-04 -1.7670000000e-03 -1.1076000000e-03  3.2429000000e-03 -6.9480000000e-04 -2.9860000000e-03 -2.6106000000e-03 -2.8550000000e-04  2.7426000000e-03 -3.9495000000e-03  2.5417000000e-03  3.5350000000e-04  2.9844000000e-03 -2.2576000000e-03 -3.0672000000e-03  9.9780000000e-04
-
-JOB 85
-COORDS -2.5151070000e+00  1.5543750000e+00 -2.9100940000e+00 -3.1371450000e+00  1.3286020000e+00 -2.2184820000e+00 -1.8587910000e+00  2.0981440000e+00 -2.4744380000e+00  2.4993230000e+00 -1.6056950000e+00  2.7916260000e+00  2.1199270000e+00 -1.7293720000e+00  3.6616810000e+00  3.1340510000e+00 -8.9822800000e-01  2.9049460000e+00
-ENERGY -1.526540632699e+02
-FORCES  2.6520000000e-04  1.1229000000e-03  4.6715000000e-03  2.4561000000e-03  9.9780000000e-04 -2.8424000000e-03 -2.7254000000e-03 -2.1000000000e-03 -1.8102000000e-03  1.1601000000e-03  2.2565000000e-03  4.0337000000e-03  1.5011000000e-03  5.5870000000e-04 -3.5757000000e-03 -2.6572000000e-03 -2.8359000000e-03 -4.7690000000e-04
-
-JOB 86
-COORDS  8.4580800000e-01  4.1371280000e+00 -2.0497800000e-01 -8.2123000000e-02  4.2522460000e+00 -4.0973200000e-01  8.8626000000e-01  3.3045060000e+00  2.6548500000e-01 -8.4727400000e-01 -4.1509650000e+00  1.8582500000e-01 -5.0374800000e-01 -3.5235110000e+00 -4.5019600000e-01 -4.4385500000e-01 -3.8966610000e+00  1.0157730000e+00
-ENERGY -1.526539360283e+02
-FORCES -3.6745000000e-03 -2.7581000000e-03  1.1055000000e-03  3.8315000000e-03 -5.4460000000e-04  8.3930000000e-04 -1.3830000000e-04  3.2737000000e-03 -1.9542000000e-03  3.1193000000e-03  3.4098000000e-03  7.5060000000e-04 -1.4522000000e-03 -2.4525000000e-03  2.6655000000e-03 -1.6858000000e-03 -9.2820000000e-04 -3.4067000000e-03
-
-JOB 87
-COORDS -7.7898200000e-01 -1.5493670000e+00  4.5925960000e+00 -1.1437610000e+00 -1.3368420000e+00  5.4516660000e+00 -5.6399700000e-01 -2.4805340000e+00  4.6468430000e+00  7.8143900000e-01  1.6604830000e+00 -4.6389270000e+00  5.2201100000e-01  1.0169320000e+00 -3.9795560000e+00  1.1214530000e+00  1.1369220000e+00 -5.3645350000e+00
-ENERGY -1.526541161807e+02
-FORCES -6.1640000000e-04 -2.8837000000e-03  3.7916000000e-03  1.4886000000e-03 -8.9180000000e-04 -3.5128000000e-03 -8.7410000000e-04  3.7874000000e-03 -2.6600000000e-04  3.1130000000e-04 -4.7608000000e-03 -1.5220000000e-04  1.0694000000e-03  2.6118000000e-03 -2.7826000000e-03 -1.3789000000e-03  2.1370000000e-03  2.9220000000e-03
-
-JOB 88
-COORDS -4.8606650000e+00  2.9371470000e+00 -2.2054800000e+00 -5.0956460000e+00  3.7804170000e+00 -1.8182970000e+00 -4.2458870000e+00  3.1573750000e+00 -2.9053220000e+00  4.8702500000e+00 -3.0022910000e+00  2.1703890000e+00  5.1261790000e+00 -2.4308620000e+00  2.8944060000e+00  4.0432520000e+00 -3.3924520000e+00  2.4533750000e+00
-ENERGY -1.526541012621e+02
-FORCES  1.5596000000e-03  4.3350000000e-03 -1.3064000000e-03  9.5640000000e-04 -3.4416000000e-03 -1.5633000000e-03 -2.5176000000e-03 -8.9120000000e-04  2.8659000000e-03 -2.3679000000e-03  7.3140000000e-04  4.1005000000e-03 -1.0265000000e-03 -2.3229000000e-03 -2.9524000000e-03  3.3961000000e-03  1.5893000000e-03 -1.1443000000e-03
-
-JOB 89
-COORDS -8.0925260000e+00 -4.5099230000e+00  2.5162200000e-01 -8.1738180000e+00 -3.8173430000e+00 -4.0409000000e-01 -7.1692050000e+00 -4.7606610000e+00  2.2264700000e-01  8.0279300000e+00  4.4330620000e+00 -2.4852200000e-01  7.4662900000e+00  5.1915890000e+00 -8.9054000000e-02  8.8488310000e+00  4.6445850000e+00  1.9601300000e-01
-ENERGY -1.526540916213e+02
-FORCES  3.4453000000e-03  1.8005000000e-03 -2.7957000000e-03  3.2470000000e-04 -2.8229000000e-03  2.6757000000e-03 -3.7716000000e-03  1.0221000000e-03  1.2020000000e-04  1.0705000000e-03  3.9620000000e-03  2.4667000000e-03  2.2833000000e-03 -3.0980000000e-03 -6.5290000000e-04 -3.3522000000e-03 -8.6380000000e-04 -1.8139000000e-03
-
-JOB 0
-COORDS -1.3762200000e-01  7.8267100000e-01  1.0294410000e+00  1.1403000000e-02  1.5889800000e-01  3.1885700000e-01 -4.4129100000e-01  1.5776290000e+00  5.9119400000e-01  1.2066900000e-01 -7.6875100000e-01 -9.1734000000e-01  2.2060000000e-03 -4.7035900000e-01 -1.8190940000e+00  7.2513700000e-01 -1.5077120000e+00 -9.8652900000e-01
-ENERGY -1.526538582407e+02
-FORCES  2.4432000000e-03 -1.5507900000e-02 -2.1717200000e-02 -3.2480000000e-04  2.1831000000e-03  4.0190000000e-03  7.2180000000e-04 -2.6567000000e-03 -7.2550000000e-04 -8.3400000000e-04  1.4168400000e-02  1.5276600000e-02  1.5275000000e-03 -2.6200000000e-03  4.3850000000e-03 -3.5336000000e-03  4.4331000000e-03 -1.2378000000e-03
-
-JOB 1
-COORDS -1.0116600000e+00  6.8982900000e-01  4.5882800000e-01 -8.6282000000e-02  4.5361400000e-01  5.2293400000e-01 -1.0566270000e+00  1.2825390000e+00 -2.9144200000e-01  9.9036900000e-01 -6.7103100000e-01 -4.5985500000e-01  5.1404000000e-02 -8.5692300000e-01 -4.6431800000e-01  1.3312630000e+00 -1.1749240000e+00  2.7914100000e-01
-ENERGY -1.526535709669e+02
-FORCES  1.7359100000e-02 -1.8522000000e-03 -7.1568000000e-03 -7.3329000000e-03 -7.8330000000e-03 -4.3200000000e-05 -4.9410000000e-04 -3.5986000000e-03  2.0035000000e-03 -1.2339800000e-02  7.9810000000e-04  2.6996000000e-03  6.7095000000e-03  6.7445000000e-03  4.2043000000e-03 -3.9018000000e-03  5.7412000000e-03 -1.7075000000e-03
-
-JOB 2
-COORDS -7.4713100000e-01 -2.2496800000e-01  1.1526250000e+00 -3.3801500000e-01 -2.0684700000e-01  2.8745000000e-01 -4.3942800000e-01  5.7414200000e-01  1.5803800000e+00  6.5523300000e-01  2.1166600000e-01 -1.0920980000e+00  1.5957330000e+00  2.4403200000e-01 -9.1704200000e-01  5.6677800000e-01 -4.1056100000e-01 -1.8140680000e+00
-ENERGY -1.526591867578e+02
-FORCES  9.4750000000e-03  5.9103000000e-03 -1.4273100000e-02 -5.1682000000e-03 -3.7424000000e-03  6.2978000000e-03 -3.5200000000e-05 -2.2040000000e-03 -5.9720000000e-04  9.4600000000e-05 -2.5050000000e-03  4.9433000000e-03 -5.0825000000e-03 -2.0730000000e-04 -1.4163000000e-03  7.1630000000e-04  2.7482000000e-03  5.0455000000e-03
-
-JOB 3
-COORDS  1.0972280000e+00  4.9546600000e-01  6.6415300000e-01  1.7110140000e+00 -2.1530500000e-01  8.4936500000e-01  3.9319100000e-01  8.0766000000e-02  1.6556700000e-01 -1.0401730000e+00 -4.3491300000e-01 -6.2004500000e-01 -1.3092060000e+00 -1.1231150000e+00 -1.2285110000e+00 -1.7898520000e+00  1.5908400000e-01 -5.8288000000e-01
-ENERGY -1.526597103827e+02
-FORCES -1.1090900000e-02 -7.6115000000e-03 -7.3102000000e-03 -2.3870000000e-03  1.0589000000e-03 -1.4366000000e-03  5.7570000000e-03  3.8286000000e-03  4.5107000000e-03  5.1071000000e-03  3.1268000000e-03  2.7015000000e-03 -4.4620000000e-04  3.7821000000e-03  2.9547000000e-03  3.0601000000e-03 -4.1848000000e-03 -1.4201000000e-03
-
-JOB 4
-COORDS -2.6855300000e-01 -1.2342760000e+00 -2.1769400000e-01 -1.1096720000e+00 -1.6373990000e+00 -4.3273700000e-01  3.8137100000e-01 -1.8991860000e+00 -4.4512500000e-01  2.3175100000e-01  1.3460970000e+00  2.5356800000e-01  1.0976300000e-01  3.9675800000e-01  2.6388100000e-01  1.1590150000e+00  1.4666980000e+00  4.8947000000e-02
-ENERGY -1.526587036481e+02
-FORCES -1.5680000000e-04  6.5001000000e-03 -4.3790000000e-04  5.0879000000e-03 -4.6000000000e-06  4.9320000000e-04 -3.7373000000e-03  2.9261000000e-03  5.9640000000e-04 -1.2468000000e-03 -1.5006800000e-02 -3.6521000000e-03  2.3819000000e-03  7.2034000000e-03  2.6056000000e-03 -2.3288000000e-03 -1.6182000000e-03  3.9480000000e-04
-
-JOB 5
-COORDS -1.0211420000e+00 -2.1693800000e-01 -9.5099100000e-01 -1.6125550000e+00  4.2539700000e-01 -5.5873200000e-01 -2.0264600000e-01 -1.1793200000e-01 -4.6468500000e-01  9.5647800000e-01  2.0271100000e-01  8.7060100000e-01  1.1949920000e+00 -7.1452800000e-01  7.3637700000e-01  1.6325820000e+00  5.4324300000e-01  1.4563930000e+00
-ENERGY -1.526565498074e+02
-FORCES  6.3481000000e-03  7.3779000000e-03  1.0093600000e-02  3.2240000000e-04 -1.7684000000e-03 -2.0720000000e-03  8.7850000000e-04 -8.5289000000e-03 -1.6860000000e-03 -8.5780000000e-04 -5.2760000000e-04 -1.7520000000e-03 -3.5058000000e-03  6.6540000000e-03 -2.7217000000e-03 -3.1853000000e-03 -3.2070000000e-03 -1.8619000000e-03
-
-JOB 6
-COORDS -3.4551100000e-01  1.3354780000e+00  1.9197500000e-01  3.1642300000e-01  2.0257890000e+00  1.5265500000e-01  1.5621800000e-01  5.2794300000e-01  3.0327500000e-01  2.6798500000e-01 -1.3320220000e+00 -2.5761700000e-01 -4.0999600000e-01 -1.4074620000e+00  4.1386200000e-01  1.0703000000e+00 -1.1482600000e+00  2.3100800000e-01
-ENERGY -1.526515500998e+02
-FORCES  4.1213000000e-03 -8.5053000000e-03 -4.6329000000e-03 -1.2826000000e-03 -4.3649000000e-03 -4.5500000000e-05  1.1473000000e-03  2.6808000000e-03  7.5940000000e-03 -2.5474000000e-03  2.9090000000e-04  3.0749000000e-03  5.3192000000e-03  3.6946000000e-03 -3.4167000000e-03 -6.7578000000e-03  6.2038000000e-03 -2.5739000000e-03
-
-JOB 7
-COORDS  8.0070400000e-01 -1.0392440000e+00 -9.3181000000e-02  5.7639600000e-01 -1.7333860000e+00  5.2656500000e-01  1.7484260000e+00 -1.1141510000e+00 -2.0472700000e-01 -8.2980000000e-01  1.1408400000e+00  2.5955000000e-02 -1.6348240000e+00  9.2881500000e-01  4.9841000000e-01 -2.4863500000e-01  3.9985100000e-01  1.9746000000e-01
-ENERGY -1.526590438655e+02
-FORCES  9.6980000000e-04  2.0172000000e-03  8.1100000000e-05  6.8090000000e-04  4.8815000000e-03 -2.6496000000e-03 -4.9107000000e-03 -1.2157000000e-03  1.0317000000e-03  7.1411000000e-03 -1.1025700000e-02 -4.6530000000e-04  3.2409000000e-03 -1.0595000000e-03 -1.0379000000e-03 -7.1219000000e-03  6.4024000000e-03  3.0400000000e-03
-
-JOB 8
-COORDS -7.8656500000e-01 -1.0812490000e+00 -1.5948300000e-01 -9.4848100000e-01 -1.8107950000e+00 -7.5762800000e-01 -1.4207300000e-01 -1.4192200000e+00  4.6231900000e-01  8.1966100000e-01  1.1307480000e+00  1.3291600000e-01  3.2609000000e-02  5.8849100000e-01  8.0584000000e-02  5.6365800000e-01  1.8731270000e+00  6.8024300000e-01
-ENERGY -1.526599138322e+02
-FORCES  4.3110000000e-03 -1.1287000000e-03 -2.3461000000e-03  1.2616000000e-03  1.6840000000e-03  3.9496000000e-03 -4.0035000000e-03  3.4735000000e-03 -3.4303000000e-03 -7.7572000000e-03 -4.6692000000e-03 -2.5813000000e-03  6.6045000000e-03  4.2572000000e-03  6.0871000000e-03 -4.1640000000e-04 -3.6167000000e-03 -1.6790000000e-03
-
-JOB 9
-COORDS  1.7402800000e-01  1.3028450000e+00 -4.6220500000e-01 -2.4541500000e-01  2.1217790000e+00 -1.9829900000e-01 -1.1540200000e-01  6.6413400000e-01  1.8934000000e-01 -1.7815000000e-01 -1.2851580000e+00  3.9873100000e-01 -5.0002000000e-02 -2.1844510000e+00  9.6934000000e-02  6.5234300000e-01 -1.0502910000e+00  8.1267700000e-01
-ENERGY -1.526554737050e+02
-FORCES -4.8421000000e-03 -6.1824000000e-03  1.8912000000e-03  8.6730000000e-04 -4.1797000000e-03 -3.6110000000e-04  6.4529000000e-03  4.8931000000e-03  2.9451000000e-03  3.7106000000e-03 -5.7890000000e-04 -4.6485000000e-03  3.6710000000e-04  3.2775000000e-03  2.2015000000e-03 -6.5557000000e-03  2.7704000000e-03 -2.0281000000e-03
-
-JOB 10
-COORDS -1.2688900000e+00  4.1106900000e-01 -1.3282800000e-01 -1.4874730000e+00  1.3232950000e+00  5.7694000000e-02 -1.4068050000e+00  3.2318000000e-01 -1.0759540000e+00  1.2812080000e+00 -5.1705500000e-01  1.9374900000e-01  6.9246400000e-01  2.3674900000e-01  2.3106600000e-01  2.1125590000e+00 -1.5718200000e-01 -1.1540700000e-01
-ENERGY -1.526568942804e+02
-FORCES -9.0630000000e-04 -2.0264000000e-03 -4.7501000000e-03  4.4434000000e-03 -4.6409000000e-03 -8.2260000000e-04  3.2110000000e-04  1.8454000000e-03  4.8169000000e-03 -8.7081000000e-03  4.9019000000e-03 -4.7180000000e-04  9.5872000000e-03 -9.6700000000e-05  9.5660000000e-04 -4.7373000000e-03  1.6700000000e-05  2.7110000000e-04
-
-JOB 11
-COORDS -2.4501800000e-01  8.1629900000e-01  1.1285450000e+00  1.3582800000e-01  1.6714570000e+00  1.3282750000e+00  3.5033800000e-01  4.3296200000e-01  4.8446800000e-01  2.3613500000e-01 -8.5182200000e-01 -1.0459130000e+00 -5.1566900000e-01 -1.3784350000e+00 -1.3173920000e+00  2.9099400000e-01 -1.5616100000e-01 -1.7011060000e+00
-ENERGY -1.526576493902e+02
-FORCES  3.2658000000e-03 -5.7452000000e-03 -5.7481000000e-03 -6.8390000000e-04 -3.6325000000e-03 -3.0230000000e-03  3.2890000000e-04  8.4319000000e-03  4.4660000000e-03 -7.5169000000e-03  9.0000000000e-04  3.4300000000e-05  3.9893000000e-03  2.0096000000e-03 -8.4690000000e-04  6.1680000000e-04 -1.9639000000e-03  5.1177000000e-03
-
-JOB 12
-COORDS  4.1594000000e-01  1.2840640000e+00 -8.9508000000e-02  8.8758800000e-01  1.1392970000e+00 -9.0976500000e-01  2.5573500000e-01  2.2275190000e+00 -6.8083000000e-02 -4.8471500000e-01 -1.3653440000e+00  1.2788300000e-01  2.7482000000e-01 -1.3816420000e+00 -4.5441700000e-01 -2.7245700000e-01 -6.9812700000e-01  7.8056900000e-01
-ENERGY -1.526550213539e+02
-FORCES -9.5560000000e-04 -2.0600000000e-05 -4.3700000000e-03 -1.3061000000e-03 -2.5430000000e-04  3.9783000000e-03  3.9570000000e-04 -4.4953000000e-03 -4.1320000000e-04  5.2513000000e-03  1.1369300000e-02 -2.7790000000e-04 -1.8046000000e-03 -5.7170000000e-04  1.0750000000e-04 -1.5807000000e-03 -6.0274000000e-03  9.7540000000e-04
-
-JOB 13
-COORDS -3.3287200000e-01 -1.0899000000e+00 -8.1001100000e-01 -4.9382000000e-01 -1.9319350000e+00 -1.2358090000e+00 -3.2057500000e-01 -1.2924700000e+00  1.2542800000e-01  4.0837100000e-01  1.1343190000e+00  7.7879800000e-01  3.2594000000e-02  1.8247920000e+00  1.3249390000e+00 -3.2019400000e-01  8.3558200000e-01  2.3457300000e-01
-ENERGY -1.526578345451e+02
-FORCES  1.8385000000e-03 -3.9258000000e-03  1.9667000000e-03  1.3479000000e-03  2.9354000000e-03  2.6715000000e-03 -3.0545000000e-03  2.3090000000e-03 -5.4035000000e-03 -3.5495000000e-03  1.0236000000e-03 -4.1806000000e-03  9.7470000000e-04 -3.2641000000e-03 -2.5669000000e-03  2.4429000000e-03  9.2190000000e-04  7.5129000000e-03
-
-JOB 14
-COORDS -1.3212810000e+00 -3.1020400000e-01  5.9165800000e-01 -1.3408560000e+00 -5.8496200000e-01 -3.2505200000e-01 -5.9221500000e-01 -7.9917800000e-01  9.7323300000e-01  1.2368890000e+00  3.5535700000e-01 -6.1417500000e-01  2.1350200000e+00  2.6936000000e-02 -5.7255000000e-01  1.0593400000e+00  6.8110700000e-01  2.6820500000e-01
-ENERGY -1.526559162587e+02
-FORCES  6.4894000000e-03 -3.4047000000e-03 -7.1887000000e-03 -2.9679000000e-03  1.3700000000e-04  4.1828000000e-03 -1.6067000000e-03  3.4986000000e-03  1.0593000000e-03 -4.6200000000e-05  2.8821000000e-03  4.1063000000e-03 -4.9715000000e-03  4.2600000000e-04  8.3010000000e-04  3.1029000000e-03 -3.5390000000e-03 -2.9899000000e-03
-
-JOB 15
-COORDS  1.2308310000e+00  6.3327500000e-01  3.4723400000e-01  2.1588780000e+00  4.0525700000e-01  4.0171000000e-01  1.1615020000e+00  1.4688680000e+00  8.0898000000e-01 -1.3378640000e+00 -6.4591200000e-01 -4.1398400000e-01 -1.1564640000e+00 -4.8806100000e-01  5.1252000000e-01 -5.4714000000e-01 -1.0725820000e+00 -7.4404500000e-01
-ENERGY -1.526559152884e+02
-FORCES  2.1445000000e-03  4.1846000000e-03  1.0475000000e-03 -4.7510000000e-03  3.9080000000e-04 -7.6820000000e-04  4.5660000000e-04 -4.3028000000e-03 -1.3039000000e-03  1.0455300000e-02  2.4521000000e-03  3.3817000000e-03 -4.0848000000e-03 -1.0852000000e-03 -1.7132000000e-03 -4.2206000000e-03 -1.6395000000e-03 -6.4390000000e-04
-
-JOB 16
-COORDS -8.0291900000e-01  1.9649000000e-01  1.1947250000e+00 -6.9259400000e-01 -7.5293900000e-01  1.1432890000e+00 -7.8482900000e-01  3.8976400000e-01  2.1320340000e+00  8.5707600000e-01 -1.4612700000e-01 -1.2316690000e+00  5.2491000000e-01 -4.4142000000e-01 -2.0794310000e+00  7.1399000000e-02  4.6061000000e-02 -7.1980400000e-01
-ENERGY -1.526586142269e+02
-FORCES  2.4399000000e-03 -1.3605000000e-03  5.4193000000e-03 -9.1180000000e-04  5.5850000000e-03 -2.1299000000e-03 -6.4370000000e-04 -2.1028000000e-03 -3.3944000000e-03 -4.7529000000e-03  3.1506000000e-03  1.7304000000e-03  4.5490000000e-04  8.1210000000e-04  3.9610000000e-03  3.4136000000e-03 -6.0842000000e-03 -5.5865000000e-03
-
-JOB 17
-COORDS -9.6534900000e-01 -7.5187000000e-02 -1.0856640000e+00 -1.6152920000e+00 -5.4464000000e-01 -5.6276900000e-01 -1.0295220000e+00 -4.6709400000e-01 -1.9565960000e+00  9.5366400000e-01  9.0836000000e-02  1.1447130000e+00  7.6315500000e-01  1.7078000000e-01  2.1007500000e-01  1.8600190000e+00  3.8630800000e-01  1.2310220000e+00
-ENERGY -1.526606283288e+02
-FORCES -4.5843000000e-03 -3.9030000000e-03  1.8080000000e-04  2.4542000000e-03  1.9002000000e-03 -3.9751000000e-03  2.6280000000e-04  1.5395000000e-03  4.0249000000e-03 -1.1273000000e-03  1.2736000000e-03 -6.2029000000e-03  6.2579000000e-03  2.0970000000e-04  7.4826000000e-03 -3.2633000000e-03 -1.0200000000e-03 -1.5104000000e-03
-
-JOB 18
-COORDS  5.5603900000e-01  1.0262100000e-01 -1.3517770000e+00 -3.3707400000e-01  2.1393400000e-01 -1.6776460000e+00  9.0669300000e-01 -6.3007600000e-01 -1.8581650000e+00 -4.9599100000e-01 -1.8588000000e-02  1.3669510000e+00 -6.7688700000e-01 -4.6331000000e-02  2.3064930000e+00 -8.6881800000e-01 -8.3187200000e-01  1.0266560000e+00
-ENERGY -1.526512873424e+02
-FORCES -2.5408000000e-03 -4.4840000000e-04 -1.6973000000e-03  3.6545000000e-03 -1.5629000000e-03  1.2414000000e-03 -1.7719000000e-03  2.6596000000e-03  3.2429000000e-03 -7.8800000000e-04 -4.3170000000e-03 -1.1650000000e-04  1.6119000000e-03  3.7690000000e-04 -4.6303000000e-03 -1.6570000000e-04  3.2919000000e-03  1.9598000000e-03
-
-JOB 19
-COORDS -9.2373800000e-01  1.2072780000e+00 -1.3262000000e-01 -3.4458300000e-01  4.4648100000e-01 -1.7734400000e-01 -1.7832950000e+00  8.6968700000e-01 -3.8446300000e-01  9.6358700000e-01 -1.0891800000e+00  1.4167100000e-01  6.7411800000e-01 -1.6461440000e+00 -5.8098400000e-01  8.5562200000e-01 -1.6330160000e+00  9.2193900000e-01
-ENERGY -1.526599458920e+02
-FORCES  4.0083000000e-03 -7.5280000000e-03  7.0380000000e-04 -7.8899000000e-03  6.6149000000e-03 -3.4826000000e-03  3.2928000000e-03  1.5030000000e-04  7.4000000000e-04  7.4290000000e-04 -5.6039000000e-03  2.7083000000e-03 -6.5690000000e-04  4.5343000000e-03  3.9435000000e-03  5.0290000000e-04  1.8325000000e-03 -4.6129000000e-03
-
-JOB 20
-COORDS  3.8425800000e-01 -1.3829600000e+00 -1.2156900000e-01 -4.5377200000e-01 -1.8383150000e+00 -2.0274200000e-01  9.7161100000e-01 -2.0292870000e+00  2.7023400000e-01 -3.9817600000e-01  1.4761790000e+00  4.7000000000e-02 -3.8008300000e-01  5.5784200000e-01  3.1637300000e-01  1.0192200000e-01  1.9343070000e+00  7.2246400000e-01
-ENERGY -1.526583484435e+02
-FORCES  1.1408000000e-03 -5.1291000000e-03 -4.0760000000e-04  3.9095000000e-03  3.8618000000e-03  1.7410000000e-03 -3.0355000000e-03  2.6419000000e-03 -2.1338000000e-03  5.0813000000e-03 -6.8890000000e-03  2.3620000000e-03 -5.5344000000e-03  6.9741000000e-03  5.6480000000e-04 -1.5617000000e-03 -1.4597000000e-03 -2.1264000000e-03
-
-JOB 21
-COORDS -1.4339000000e-02 -1.2758210000e+00  8.2157000000e-01 -8.1952800000e-01 -1.7443200000e+00  6.0154500000e-01  4.3558100000e-01 -1.1653760000e+00 -1.6049000000e-02  7.9260000000e-03  1.3328740000e+00 -7.9846600000e-01  6.8174000000e-01  6.7376200000e-01 -9.6513100000e-01 -9.6851000000e-02  1.3336960000e+00  1.5298200000e-01
-ENERGY -1.526534011476e+02
-FORCES -3.7177000000e-03 -1.4184000000e-03 -6.1159000000e-03  3.7761000000e-03  1.6471000000e-03  1.4573000000e-03  5.4200000000e-04  2.9707000000e-03  2.4875000000e-03  1.5991000000e-03 -4.1517000000e-03  6.9652000000e-03 -2.8246000000e-03 -1.6099000000e-03  3.2930000000e-04  6.2520000000e-04  2.5623000000e-03 -5.1233000000e-03
-
-JOB 22
-COORDS  3.5106500000e-01 -1.4836170000e+00  2.3431800000e-01  2.4126500000e-01 -5.3300000000e-01  2.1187700000e-01  1.2727130000e+00 -1.6239360000e+00  1.7275000000e-02 -3.5404800000e-01  1.3791550000e+00 -2.0842100000e-01 -1.2530470000e+00  1.4882200000e+00  1.0164000000e-01 -1.7321600000e-01  2.1768760000e+00 -7.0558600000e-01
-ENERGY -1.526609303362e+02
-FORCES  1.8462000000e-03  8.1203000000e-03 -2.3476000000e-03  5.4960000000e-04 -8.9574000000e-03  2.9650000000e-03 -2.7310000000e-03  4.7380000000e-04  5.2510000000e-04 -2.2782000000e-03  3.2321000000e-03 -2.0042000000e-03  4.6013000000e-03 -1.2590000000e-04 -1.5993000000e-03 -1.9879000000e-03 -2.7428000000e-03  2.4611000000e-03
-
-JOB 23
-COORDS -9.3849900000e-01  7.4021900000e-01  8.5893400000e-01 -1.5293130000e+00  1.1485310000e+00  1.4917460000e+00 -4.4431900000e-01  1.4703480000e+00  4.8620300000e-01  9.1522100000e-01 -8.4430200000e-01 -9.0484900000e-01  1.2717490000e+00 -8.6940000000e-03 -1.2063100000e+00  1.0658960000e+00 -8.4247700000e-01  4.0416000000e-02
-ENERGY -1.526531477033e+02
-FORCES -1.3139000000e-03  4.6672000000e-03 -8.0580000000e-04  2.7694000000e-03 -2.2660000000e-03 -3.2275000000e-03 -6.3290000000e-04 -3.3162000000e-03  2.0880000000e-03 -1.5553000000e-03  3.7542000000e-03  5.3657000000e-03 -1.7509000000e-03 -2.2143000000e-03  1.3778000000e-03  2.4836000000e-03 -6.2490000000e-04 -4.7983000000e-03
-
-JOB 24
-COORDS  2.2712900000e-01 -7.7790000000e-01 -1.3202130000e+00  2.3256400000e-01 -5.7835900000e-01 -3.8405800000e-01  7.9434600000e-01 -1.5441990000e+00 -1.4055510000e+00 -2.6511500000e-01  8.1129700000e-01  1.2031790000e+00  4.2461100000e-01  1.1747590000e+00  1.7585200000e+00 -8.9607300000e-01  4.3710000000e-01  1.8180780000e+00
-ENERGY -1.526597182425e+02
-FORCES  6.8870000000e-04  1.7438000000e-03  6.2769000000e-03  1.6709000000e-03 -6.7134000000e-03 -7.6431000000e-03 -1.8746000000e-03  2.9837000000e-03  1.2828000000e-03 -8.7740000000e-04  3.1245000000e-03  5.4648000000e-03 -3.4445000000e-03 -2.3361000000e-03 -2.3421000000e-03  3.8369000000e-03  1.1974000000e-03 -3.0392000000e-03
-
-JOB 25
-COORDS -1.1979210000e+00 -1.2190100000e-01  9.0126300000e-01 -1.7460870000e+00 -8.3017700000e-01  1.2390360000e+00 -4.5396900000e-01 -8.6608000000e-02  1.5025300000e+00  1.2412770000e+00  1.6822200000e-01 -9.1661200000e-01  1.1940340000e+00 -3.4581200000e-01 -1.7226950000e+00  3.5252300000e-01  5.0103500000e-01 -7.9177800000e-01
-ENERGY -1.526588285445e+02
-FORCES  1.9415000000e-03 -4.2117000000e-03  3.9465000000e-03  2.5022000000e-03  2.7198000000e-03 -8.3760000000e-04 -4.5428000000e-03  6.1580000000e-04 -2.4355000000e-03 -7.2449000000e-03 -1.8191000000e-03 -1.4659000000e-03  3.7810000000e-04  1.7942000000e-03  2.6141000000e-03  6.9658000000e-03  9.0100000000e-04 -1.8217000000e-03
-
-JOB 26
-COORDS -8.7901400000e-01 -2.1692600000e-01 -1.3268310000e+00 -1.0365910000e+00 -9.8767000000e-02 -3.9011400000e-01 -3.4562000000e-02 -6.6520800000e-01 -1.3734640000e+00  8.0609500000e-01  1.8034500000e-01  1.2419850000e+00  1.7200650000e+00  4.4125600000e-01  1.3551920000e+00  3.0171200000e-01  9.1666200000e-01  1.5879150000e+00
-ENERGY -1.526570542094e+02
-FORCES  6.8174000000e-03 -1.4463000000e-03  7.4860000000e-03 -3.6358000000e-03  1.2494000000e-03 -3.1100000000e-03 -3.1176000000e-03  5.5100000000e-04 -3.0486000000e-03  2.8018000000e-03  4.8794000000e-03  1.3278000000e-03 -3.9662000000e-03 -1.1243000000e-03 -3.6000000000e-04  1.1005000000e-03 -4.1091000000e-03 -2.2952000000e-03
-
-JOB 27
-COORDS  6.5939000000e-02 -6.9948900000e-01  1.4478150000e+00  1.6377700000e-01 -1.2361080000e+00  6.6124000000e-01 -6.1954900000e-01 -6.9680000000e-02  1.2249270000e+00 -6.4081000000e-02  6.5742700000e-01 -1.3543470000e+00  7.8416200000e-01  1.0931670000e+00 -1.2716050000e+00 -3.6469100000e-01  8.8261600000e-01 -2.2347760000e+00
-ENERGY -1.526586803548e+02
-FORCES -3.4300000000e-03  1.8606000000e-03 -8.1474000000e-03  8.4200000000e-04 -3.0300000000e-04  4.7252000000e-03  1.9327000000e-03 -2.2825000000e-03  4.0852000000e-03  3.2308000000e-03  3.5232000000e-03 -3.2970000000e-03 -4.1304000000e-03 -1.8073000000e-03 -1.3908000000e-03  1.5550000000e-03 -9.9110000000e-04  4.0249000000e-03
-
-JOB 28
-COORDS  1.3166150000e+00 -8.7447800000e-01  1.8970700000e-01  1.0345460000e+00 -1.7116720000e+00  5.5818400000e-01  6.5383500000e-01 -2.4844100000e-01  4.8131300000e-01 -1.2214460000e+00  8.4609500000e-01 -2.3920700000e-01 -1.1478010000e+00  1.6541360000e+00  2.6861100000e-01 -2.1502740000e+00  7.8701600000e-01 -4.6285800000e-01
-ENERGY -1.526574675519e+02
-FORCES -7.8728000000e-03  9.5160000000e-04  4.9630000000e-04  1.2618000000e-03  2.5702000000e-03 -1.2352000000e-03  7.1085000000e-03 -2.1054000000e-03  2.6323000000e-03 -5.2027000000e-03  2.5722000000e-03 -1.5210000000e-03  7.4250000000e-04 -5.0542000000e-03 -1.5109000000e-03  3.9626000000e-03  1.0657000000e-03  1.1386000000e-03
-
-JOB 29
-COORDS  1.1097960000e+00  4.5327900000e-01 -9.9601000000e-01  3.8123100000e-01  9.4855200000e-01 -6.2167200000e-01  1.1094370000e+00  6.8994600000e-01 -1.9234910000e+00 -1.0926520000e+00 -4.7411500000e-01  9.7694300000e-01 -1.1875470000e+00 -9.7865000000e-02  1.8519650000e+00 -5.4925200000e-01 -1.2512280000e+00  1.1074990000e+00
-ENERGY -1.526576510082e+02
-FORCES -5.5564000000e-03  2.0780000000e-03 -9.8200000000e-05  5.7555000000e-03  1.1723000000e-03 -3.6550000000e-03 -4.3760000000e-04 -9.9500000000e-04  3.6244000000e-03  3.1168000000e-03 -4.3595000000e-03  3.3522000000e-03  8.7620000000e-04 -8.0620000000e-04 -4.2016000000e-03 -3.7544000000e-03  2.9105000000e-03  9.7820000000e-04
-
-JOB 30
-COORDS  1.4561840000e+00 -6.5030000000e-01  5.9123000000e-02  1.9675730000e+00 -5.1900900000e-01  8.5754300000e-01  5.9400900000e-01 -2.8856800000e-01  2.6415200000e-01 -1.4402020000e+00  5.5378300000e-01 -1.1345100000e-01 -1.3593150000e+00  1.1136270000e+00 -8.8563200000e-01 -1.4456450000e+00  1.1627860000e+00  6.2500500000e-01
-ENERGY -1.526595723164e+02
-FORCES -5.5202000000e-03  1.8280000000e-03  2.4557000000e-03 -2.6229000000e-03  2.1460000000e-04 -2.5974000000e-03  9.8680000000e-03 -1.8243000000e-03  1.7897000000e-03 -3.3119000000e-03  6.0202000000e-03 -2.8129000000e-03 -5.8250000000e-04 -2.3737000000e-03  4.4348000000e-03  2.1695000000e-03 -3.8648000000e-03 -3.2699000000e-03
-
-JOB 31
-COORDS  4.4403500000e-01 -2.5713500000e-01 -1.5152220000e+00  7.7951400000e-01 -5.9356200000e-01 -6.8425700000e-01 -1.8785700000e-01 -9.1590100000e-01 -1.8032680000e+00 -4.3448900000e-01  2.5371600000e-01  1.5180290000e+00 -3.0060700000e-01  1.1310210000e+00  1.8766970000e+00 -4.4741500000e-01  3.8163100000e-01  5.6950300000e-01
-ENERGY -1.526586335442e+02
-FORCES  1.4693000000e-03 -6.7808000000e-03 -3.8530000000e-04 -4.9635000000e-03  4.6608000000e-03 -3.5199000000e-03  2.5984000000e-03  3.6350000000e-03  1.9008000000e-03 -6.9700000000e-04  5.7241000000e-03 -3.3411000000e-03 -5.8560000000e-04 -3.4932000000e-03 -1.4824000000e-03  2.1785000000e-03 -3.7460000000e-03  6.8279000000e-03
-
-JOB 32
-COORDS -1.2119700000e-01 -1.3047660000e+00 -1.0351020000e+00 -9.3529900000e-01 -8.3218400000e-01 -1.2087000000e+00  4.2482700000e-01 -6.7658100000e-01 -5.6237200000e-01  1.1794000000e-01  1.1904880000e+00  1.0471720000e+00  9.9367100000e-01  1.5733040000e+00  9.9446200000e-01 -4.3222000000e-01  1.7775680000e+00  5.2862300000e-01
-ENERGY -1.526570666534e+02
-FORCES -1.5243000000e-03  6.4820000000e-03  5.2272000000e-03  2.3100000000e-03 -1.6868000000e-03 -6.9950000000e-04  4.0130000000e-04 -4.3583000000e-03 -5.6677000000e-03  3.2560000000e-04  6.4275000000e-03  5.7460000000e-04 -4.1632000000e-03 -3.0311000000e-03 -8.9370000000e-04  2.6507000000e-03 -3.8332000000e-03  1.4591000000e-03
-
-JOB 33
-COORDS  1.6637300000e-01 -6.7578100000e-01  1.4536870000e+00  6.0381000000e-02 -8.9830400000e-01  5.2876400000e-01 -7.8846000000e-02 -1.4736990000e+00  1.9221170000e+00 -1.7203000000e-01  6.6754300000e-01 -1.4256110000e+00  7.2923300000e-01  9.3246200000e-01 -1.2418320000e+00 -6.0607300000e-01  1.4727100000e+00 -1.7076500000e+00
-ENERGY -1.526579428093e+02
-FORCES -2.8244000000e-03 -2.8270000000e-03 -3.7344000000e-03  3.2372000000e-03 -1.5974000000e-03  6.4312000000e-03  6.0990000000e-04  3.0667000000e-03 -2.0881000000e-03  7.1390000000e-04  6.5415000000e-03  1.5560000000e-04 -4.0860000000e-03 -2.2307000000e-03 -1.1568000000e-03  2.3494000000e-03 -2.9531000000e-03  3.9250000000e-04
-
-JOB 34
-COORDS -1.5505830000e+00  2.3456400000e-01 -9.1630000000e-03 -2.1293550000e+00 -2.9850900000e-01 -5.5422100000e-01 -1.8194800000e+00  1.1363930000e+00 -1.8418100000e-01  1.6438960000e+00 -2.1278200000e-01  5.6622000000e-02  1.3164030000e+00 -8.2873000000e-01  7.1205200000e-01  1.1070680000e+00 -3.7895600000e-01 -7.1825500000e-01
-ENERGY -1.526558286334e+02
-FORCES -3.8726000000e-03  3.7270000000e-03 -1.5746000000e-03  3.8388000000e-03  1.8566000000e-03  2.0344000000e-03  5.1780000000e-04 -4.3002000000e-03  3.7240000000e-04 -8.4711000000e-03 -1.9818000000e-03  3.4140000000e-04  3.2687000000e-03  1.1247000000e-03 -2.0125000000e-03  4.7184000000e-03 -4.2640000000e-04  8.3890000000e-04
-
-JOB 35
-COORDS -1.0561290000e+00 -8.1225000000e-01 -8.4677300000e-01 -1.5418800000e+00 -6.9988400000e-01 -1.6638730000e+00 -3.2732600000e-01 -1.3880740000e+00 -1.0780830000e+00  1.0110200000e+00  8.1103800000e-01  9.6603600000e-01  6.4340900000e-01  1.2811820000e+00  2.1766600000e-01  1.9513980000e+00  7.7818000000e-01  7.9042000000e-01
-ENERGY -1.526542305606e+02
-FORCES  1.6078000000e-03 -4.0420000000e-03 -2.6643000000e-03  2.6359000000e-03  5.4510000000e-04  3.8237000000e-03 -3.4515000000e-03  2.4449000000e-03 -3.1380000000e-04 -6.2230000000e-04  1.6553000000e-03 -4.6453000000e-03  3.7937000000e-03  1.6290000000e-04  3.5731000000e-03 -3.9637000000e-03 -7.6630000000e-04  2.2660000000e-04
-
-JOB 36
-COORDS  7.1455400000e-01 -1.3908850000e+00  9.6771000000e-02  8.1641500000e-01 -2.0045170000e+00  8.2431000000e-01  5.9808600000e-01 -1.9481750000e+00 -6.7270500000e-01 -7.3876900000e-01  1.5048710000e+00 -1.4129200000e-01 -1.2115760000e+00  1.1506850000e+00  6.1186000000e-01  1.1261700000e-01  1.0680700000e+00 -1.1723800000e-01
-ENERGY -1.526585029112e+02
-FORCES -3.0530000000e-04 -5.7961000000e-03 -1.0040000000e-03 -8.7880000000e-04  2.5748000000e-03 -3.2087000000e-03  9.5970000000e-04  1.8840000000e-03  3.8027000000e-03  2.9582000000e-03 -7.1000000000e-03  3.4133000000e-03  4.5020000000e-04  2.5650000000e-03 -2.0797000000e-03 -3.1840000000e-03  5.8723000000e-03 -9.2360000000e-04
-
-JOB 37
-COORDS  1.0239880000e+00  9.5966100000e-01  7.6587100000e-01  9.3680700000e-01  1.8708000000e+00  1.0459720000e+00  6.6299000000e-01  4.5000700000e-01  1.4912420000e+00 -1.0055030000e+00 -9.4641400000e-01 -8.8811500000e-01 -1.8064400000e-01 -1.0525290000e+00 -4.1421800000e-01 -1.6502370000e+00 -1.4112080000e+00 -3.5471500000e-01
-ENERGY -1.526539884217e+02
-FORCES -3.2408000000e-03  4.0539000000e-03  3.2359000000e-03  7.7440000000e-04 -3.8339000000e-03 -4.6310000000e-04  1.5552000000e-03  2.0970000000e-04 -4.1275000000e-03  2.8705000000e-03 -1.9250000000e-04  3.4697000000e-03 -4.7991000000e-03 -2.6665000000e-03 -7.2640000000e-04  2.8398000000e-03  2.4293000000e-03 -1.3886000000e-03
-
-JOB 38
-COORDS  3.5513500000e-01 -1.3676040000e+00 -7.3141000000e-01 -1.5093000000e-02 -1.8955460000e+00 -1.4388280000e+00  2.5591200000e-01 -1.9106850000e+00  5.0542000000e-02 -3.6558800000e-01  1.4797970000e+00  7.1566000000e-01 -4.7097200000e-01  7.0463400000e-01  1.2672470000e+00  5.0315200000e-01  1.3808570000e+00  3.2613200000e-01
-ENERGY -1.526549240728e+02
-FORCES -3.0447000000e-03 -4.4973000000e-03 -1.2722000000e-03  1.7984000000e-03  1.8407000000e-03  3.2001000000e-03  3.3160000000e-04  3.5220000000e-03 -2.4249000000e-03  3.6578000000e-03 -6.7494000000e-03 -2.5563000000e-03 -6.0400000000e-05  2.9922000000e-03  2.7100000000e-05 -2.6826000000e-03  2.8917000000e-03  3.0263000000e-03
-
-JOB 39
-COORDS  8.7148200000e-01 -4.6295000000e-01  1.4040330000e+00  9.3037500000e-01 -2.4101500000e-01  4.7478200000e-01  1.4570400000e-01 -1.0848040000e+00  1.4567220000e+00 -7.9291400000e-01  4.4373500000e-01 -1.3912290000e+00 -6.4902000000e-01  1.3520810000e+00 -1.1258370000e+00 -1.6039770000e+00  1.9053700000e-01 -9.5043500000e-01
-ENERGY -1.526578015898e+02
-FORCES -3.2470000000e-03 -2.1027000000e-03 -6.2986000000e-03  2.0187000000e-03 -8.5500000000e-05  6.4179000000e-03  2.0945000000e-03  2.3415000000e-03  8.0340000000e-04 -5.0694000000e-03  4.1730000000e-03  1.6995000000e-03  1.6120000000e-04 -4.7928000000e-03 -1.0223000000e-03  4.0420000000e-03  4.6650000000e-04 -1.5999000000e-03
-
-JOB 40
-COORDS  6.8751300000e-01 -5.9485100000e-01 -1.4434750000e+00 -1.5662800000e-01 -6.0323500000e-01 -9.9226700000e-01  6.9162200000e-01 -1.4007960000e+00 -1.9598740000e+00 -5.7764200000e-01  6.0841800000e-01  1.4457630000e+00 -7.8862600000e-01  1.4201930000e+00  1.9069990000e+00 -1.4017740000e+00  3.4323900000e-01  1.0374510000e+00
-ENERGY -1.526528866753e+02
-FORCES -2.9838000000e-03 -2.6432000000e-03  1.6127000000e-03  1.2546000000e-03 -8.8800000000e-04 -3.5353000000e-03 -6.1700000000e-05  3.4305000000e-03  2.3305000000e-03 -3.7316000000e-03  4.0463000000e-03  1.6426000000e-03  7.9030000000e-04 -3.7637000000e-03 -1.6212000000e-03  4.7324000000e-03 -1.8190000000e-04 -4.2940000000e-04
-
-JOB 41
-COORDS -3.3056500000e-01  1.0277540000e+00  1.3928250000e+00 -1.0537810000e+00  1.4329350000e+00  9.1426600000e-01  2.5980900000e-01  7.0850700000e-01  7.1034900000e-01  3.2035100000e-01 -1.0942930000e+00 -1.3172090000e+00  1.1629810000e+00 -6.6951500000e-01 -1.1566790000e+00 -2.3430400000e-01 -4.0021700000e-01 -1.6733670000e+00
-ENERGY -1.526529788708e+02
-FORCES -1.3171000000e-03 -1.9982000000e-03 -4.9454000000e-03  3.1438000000e-03 -1.3490000000e-03  1.5143000000e-03 -6.2420000000e-04  3.7283000000e-03  2.1565000000e-03  1.1783000000e-03  2.4080000000e-03 -3.0223000000e-03 -5.1387000000e-03 -5.1370000000e-04  1.2533000000e-03  2.7579000000e-03 -2.2753000000e-03  3.0435000000e-03
-
-JOB 42
-COORDS -2.4504500000e-01 -1.5906420000e+00 -4.0142700000e-01  2.3262500000e-01 -1.5213870000e+00 -1.2280260000e+00 -5.4801300000e-01 -2.4982350000e+00 -3.7464000000e-01  2.2166500000e-01  1.6789970000e+00  4.9194000000e-01  8.5595600000e-01  9.6270200000e-01  5.2070800000e-01 -1.2748300000e-01  1.6547400000e+00 -3.9898000000e-01
-ENERGY -1.526550627276e+02
-FORCES -6.3900000000e-04 -5.2492000000e-03 -2.7953000000e-03 -1.6941000000e-03  1.1458000000e-03  4.0705000000e-03  1.3984000000e-03  3.9661000000e-03 -4.2960000000e-04 -4.9060000000e-04 -6.1721000000e-03 -2.9891000000e-03 -5.9060000000e-04  4.9195000000e-03 -4.7850000000e-04  2.0158000000e-03  1.3900000000e-03  2.6220000000e-03
-
-JOB 43
-COORDS -9.4928700000e-01 -1.4558850000e+00 -3.7960000000e-02 -1.6502650000e+00 -1.4590410000e+00  6.1384600000e-01 -9.8119700000e-01 -5.7901300000e-01 -4.2046300000e-01  9.4565600000e-01  1.4114580000e+00 -2.7299000000e-02  1.6314030000e+00  2.0391730000e+00  2.0064300000e-01  1.0689390000e+00  6.8776900000e-01  5.8695400000e-01
-ENERGY -1.526581158825e+02
-FORCES -4.2177000000e-03  3.6965000000e-03 -7.3710000000e-04  3.1851000000e-03  5.2000000000e-05 -2.3291000000e-03 -1.1140000000e-04 -5.5687000000e-03  3.0231000000e-03  4.6729000000e-03 -1.9100000000e-04  3.2949000000e-03 -2.5692000000e-03 -2.8172000000e-03 -4.6450000000e-04 -9.5970000000e-04  4.8284000000e-03 -2.7873000000e-03
-
-JOB 44
-COORDS  4.5437100000e-01  1.1899150000e+00  1.2013380000e+00  2.1238200000e-01  3.6716700000e-01  7.7618100000e-01  8.8102200000e-01  9.2290000000e-01  2.0155260000e+00 -4.5760700000e-01 -1.0656310000e+00 -1.1820870000e+00  7.7549000000e-02 -1.8591990000e+00 -1.1915380000e+00 -1.1298130000e+00 -1.2215720000e+00 -1.8454520000e+00
-ENERGY -1.526582072371e+02
-FORCES -6.0460000000e-04 -5.0599000000e-03 -7.8970000000e-04  3.1324000000e-03  4.7855000000e-03  6.0019000000e-03 -1.4611000000e-03  6.3470000000e-04 -3.1693000000e-03 -2.0107000000e-03 -3.6916000000e-03 -5.2782000000e-03 -2.3664000000e-03  3.6266000000e-03  7.9810000000e-04  3.3105000000e-03 -2.9530000000e-04  2.4373000000e-03
-
-JOB 45
-COORDS  7.6314200000e-01 -1.2787370000e+00 -8.2846500000e-01  1.3421370000e+00 -7.6464300000e-01 -1.3912290000e+00  5.5704500000e-01 -2.0582160000e+00 -1.3443810000e+00 -8.2373400000e-01  1.3454080000e+00  8.9035200000e-01 -4.9831200000e-01  8.6370900000e-01  1.2989300000e-01 -4.6975500000e-01  8.7243800000e-01  1.6434990000e+00
-ENERGY -1.526582644303e+02
-FORCES  2.2037000000e-03 -3.8459000000e-03 -5.1850000000e-03 -3.5366000000e-03 -1.5502000000e-03  2.8595000000e-03  1.5260000000e-03  3.4178000000e-03  2.0144000000e-03  3.2082000000e-03 -6.5441000000e-03 -6.7270000000e-04 -1.7881000000e-03  5.7489000000e-03  2.7730000000e-03 -1.6132000000e-03  2.7736000000e-03 -1.7893000000e-03
-
-JOB 46
-COORDS  1.6674490000e+00  3.1464500000e-01  4.0315900000e-01  2.4767580000e+00  5.1400900000e-01 -6.7483000000e-02  1.1352960000e+00  1.1049230000e+00  3.1092900000e-01 -1.7029560000e+00 -3.9634200000e-01 -4.2801000000e-01 -1.1165610000e+00  3.3141900000e-01 -2.2128400000e-01 -2.0165080000e+00 -7.0120500000e-01  4.2344500000e-01
-ENERGY -1.526527675607e+02
-FORCES  3.0458000000e-03  3.6868000000e-03 -3.0955000000e-03 -3.4180000000e-03 -8.0250000000e-04  2.3825000000e-03 -5.4760000000e-04 -4.3575000000e-03  2.2890000000e-04  3.0620000000e-03  1.8100000000e-04  4.9770000000e-03 -2.6850000000e-03 -2.0580000000e-04 -8.6630000000e-04  5.4290000000e-04  1.4980000000e-03 -3.6265000000e-03
-
-JOB 47
-COORDS -1.3338440000e+00  8.3628100000e-01 -7.6883600000e-01 -2.1622500000e+00  5.1062600000e-01 -4.1680700000e-01 -1.1000010000e+00  1.5663870000e+00 -1.9569200000e-01  1.3685610000e+00 -8.1076100000e-01  7.6918900000e-01  8.4058400000e-01 -8.4155600000e-01 -2.8636000000e-02  1.9501930000e+00 -1.5679570000e+00  7.0143700000e-01
-ENERGY -1.526580477687e+02
-FORCES -3.4140000000e-03  3.2442000000e-03  4.4148000000e-03  3.4907000000e-03  1.2568000000e-03 -1.6845000000e-03 -1.5875000000e-03 -3.0406000000e-03 -2.9629000000e-03 -8.0250000000e-04 -2.3553000000e-03 -4.4062000000e-03  4.7895000000e-03 -1.9121000000e-03  4.5416000000e-03 -2.4763000000e-03  2.8070000000e-03  9.7100000000e-05
-
-JOB 48
-COORDS -7.7085000000e-01 -4.5918400000e-01 -1.6603150000e+00 -3.8116000000e-02  1.1469800000e-01 -1.8839050000e+00 -4.5014000000e-01 -9.8288200000e-01 -9.2606800000e-01  6.8943200000e-01  5.0177800000e-01  1.5935290000e+00  9.4266500000e-01 -3.9715200000e-01  1.3836990000e+00  8.2529100000e-01  5.7508800000e-01  2.5381980000e+00
-ENERGY -1.526535157696e+02
-FORCES  4.0570000000e-03  2.0291000000e-03  3.3483000000e-03 -2.8559000000e-03 -3.1429000000e-03 -5.5500000000e-05 -4.1940000000e-04  6.4500000000e-04 -2.9237000000e-03  1.5469000000e-03 -2.6897000000e-03  4.7043000000e-03 -1.8192000000e-03  3.4847000000e-03 -9.1470000000e-04 -5.0940000000e-04 -3.2630000000e-04 -4.1586000000e-03
-
-JOB 49
-COORDS  8.3035600000e-01 -8.9922100000e-01 -1.3301740000e+00  1.3085580000e+00 -1.6752840000e+00 -1.6222050000e+00  1.4682760000e+00 -4.0321700000e-01 -8.1707600000e-01 -8.7388600000e-01  8.5856200000e-01  1.3365090000e+00 -1.4131720000e+00  1.0849910000e+00  5.7879400000e-01 -6.7286700000e-01  1.6991890000e+00  1.7478120000e+00
-ENERGY -1.526549858919e+02
-FORCES  4.3423000000e-03 -1.1016000000e-03  2.4961000000e-03 -1.8834000000e-03  3.1208000000e-03  1.1645000000e-03 -1.5216000000e-03 -2.0701000000e-03 -3.6380000000e-03 -2.6593000000e-03  3.5964000000e-03 -2.2363000000e-03  1.9417000000e-03  7.7200000000e-05  4.0687000000e-03 -2.1960000000e-04 -3.6226000000e-03 -1.8549000000e-03
-
-JOB 50
-COORDS  4.7130600000e-01  8.7776600000e-01 -1.5809680000e+00  5.0219600000e-01  3.8253000000e-01 -2.3995140000e+00 -4.8641000000e-02  3.3283600000e-01 -9.9025700000e-01 -3.8415600000e-01 -8.0542600000e-01  1.5778890000e+00 -8.2704700000e-01 -1.6538980000e+00  1.5911350000e+00 -1.0377150000e+00 -1.8839700000e-01  1.9070800000e+00
-ENERGY -1.526568403199e+02
-FORCES -1.3846000000e-03 -5.0961000000e-03  1.0287000000e-03 -2.4370000000e-04  1.8178000000e-03  3.0283000000e-03  1.0704000000e-03  3.9034000000e-03 -5.6843000000e-03 -4.0854000000e-03 -1.6599000000e-03  4.7104000000e-03  1.8693000000e-03  3.9789000000e-03 -6.6210000000e-04  2.7739000000e-03 -2.9440000000e-03 -2.4211000000e-03
-
-JOB 51
-COORDS  1.4862430000e+00 -7.5501600000e-01 -8.7355200000e-01  2.3753890000e+00 -9.3433100000e-01 -5.6777800000e-01  1.1495680000e+00 -1.0026700000e-01 -2.6184500000e-01 -1.5253600000e+00  7.3591800000e-01  7.5872100000e-01 -2.1556910000e+00  4.5672200000e-01  1.4227710000e+00 -7.1148800000e-01  8.7381300000e-01  1.2433120000e+00
-ENERGY -1.526528396209e+02
-FORCES  1.2469000000e-03  2.0856000000e-03  3.0576000000e-03 -3.9518000000e-03  7.6180000000e-04 -1.0487000000e-03  2.7769000000e-03 -2.1587000000e-03 -9.5220000000e-04 -1.1086000000e-03 -1.0791000000e-03  5.4412000000e-03  2.6134000000e-03  1.6094000000e-03 -2.8128000000e-03 -1.5767000000e-03 -1.2191000000e-03 -3.6850000000e-03
-
-JOB 52
-COORDS -1.1517200000e+00  7.9023400000e-01  1.2988390000e+00 -3.3946500000e-01  8.7196000000e-01  1.7986340000e+00 -1.2240710000e+00 -1.4531700000e-01  1.1097840000e+00  1.1592470000e+00 -7.0280900000e-01 -1.3318220000e+00  7.8124700000e-01 -8.4821000000e-01 -4.6452400000e-01  6.9370100000e-01 -1.3145520000e+00 -1.9021450000e+00
-ENERGY -1.526524553822e+02
-FORCES  2.2918000000e-03 -2.1025000000e-03  1.8926000000e-03 -3.5612000000e-03 -1.1766000000e-03 -2.5736000000e-03  1.8112000000e-03  3.4565000000e-03 -1.1670000000e-04 -3.9283000000e-03 -2.1406000000e-03  6.0380000000e-04  1.4481000000e-03 -4.7350000000e-04 -2.4934000000e-03  1.9383000000e-03  2.4366000000e-03  2.6873000000e-03
-
-JOB 53
-COORDS  1.1714050000e+00  1.5170270000e+00  2.5828000000e-01  5.6166700000e-01  1.9409260000e+00  8.6223500000e-01  6.5980600000e-01  1.3736220000e+00 -5.3791900000e-01 -1.0855710000e+00 -1.4771670000e+00 -2.7641100000e-01 -6.0352900000e-01 -2.0878710000e+00  2.8118000000e-01 -1.9637740000e+00 -1.8525440000e+00 -3.4030900000e-01
-ENERGY -1.526558809279e+02
-FORCES -5.8975000000e-03 -3.7460000000e-04 -1.2653000000e-03  2.7515000000e-03 -1.0340000000e-03 -1.9773000000e-03  3.1435000000e-03  2.3854000000e-03  2.8715000000e-03 -8.8300000000e-04 -4.7948000000e-03  2.4894000000e-03 -2.7335000000e-03  2.0266000000e-03 -2.4675000000e-03  3.6189000000e-03  1.7915000000e-03  3.4930000000e-04
-
-JOB 54
-COORDS -1.8460320000e+00  5.0871600000e-01  5.0584000000e-02 -2.4338420000e+00  1.0909120000e+00 -4.3083000000e-01 -2.1329010000e+00 -3.7276900000e-01 -1.8799700000e-01  1.9257970000e+00 -4.5043900000e-01  3.6638000000e-02  1.6852850000e+00 -1.3723930000e+00  1.2821200000e-01  1.6713130000e+00 -2.2373300000e-01 -8.5783100000e-01
-ENERGY -1.526532157548e+02
-FORCES -4.0080000000e-03 -9.3410000000e-04 -2.1878000000e-03  2.7422000000e-03 -2.4852000000e-03  1.8996000000e-03  1.6629000000e-03  3.4605000000e-03  6.8540000000e-04 -3.6347000000e-03 -1.7914000000e-03 -2.9258000000e-03  1.1604000000e-03  3.2597000000e-03 -4.9100000000e-04  2.0772000000e-03 -1.5094000000e-03  3.0195000000e-03
-
-JOB 55
-COORDS  1.7751000000e-02 -1.3400800000e-01  2.0771460000e+00  6.3869200000e-01 -1.7266200000e-01  1.3497050000e+00 -5.9292200000e-01 -8.5185800000e-01  1.9098090000e+00  6.1260000000e-03  1.9018400000e-01 -2.0908110000e+00 -8.4797800000e-01 -1.9002200000e-01 -1.8854260000e+00  4.2734800000e-01  3.0805500000e-01 -1.2393940000e+00
-ENERGY -1.526527328404e+02
-FORCES  4.4130000000e-04 -3.9068000000e-03 -1.9487000000e-03 -3.4845000000e-03  9.9640000000e-04  1.3243000000e-03  2.6093000000e-03  3.5272000000e-03  1.3150000000e-04 -2.5573000000e-03  2.9000000000e-05  3.8265000000e-03  3.9865000000e-03  1.1217000000e-03 -7.2710000000e-04 -9.9530000000e-04 -1.7675000000e-03 -2.6065000000e-03
-
-JOB 56
-COORDS  1.6732100000e+00 -1.3465900000e-01 -1.1462390000e+00  1.8480220000e+00 -9.7149100000e-01 -1.5768030000e+00  1.0639630000e+00  3.1417400000e-01 -1.7324130000e+00 -1.6038850000e+00  1.9228800000e-01  1.1576560000e+00 -2.2239360000e+00 -5.1011800000e-01  9.6170900000e-01 -1.6650300000e+00  3.0881500000e-01  2.1057670000e+00
-ENERGY -1.526533909289e+02
-FORCES -2.9794000000e-03 -1.1202000000e-03 -3.3826000000e-03 -6.2850000000e-04  3.2107000000e-03  1.7431000000e-03  3.1859000000e-03 -1.9599000000e-03  1.4797000000e-03 -1.8992000000e-03 -2.6236000000e-03  3.5567000000e-03  2.4090000000e-03  2.9341000000e-03  4.7560000000e-04 -8.7800000000e-05 -4.4120000000e-04 -3.8725000000e-03
-
-JOB 57
-COORDS  3.9665700000e-01  1.6812950000e+00 -1.1066180000e+00 -8.2541000000e-02  9.4058600000e-01 -1.4780350000e+00 -1.8584900000e-01  2.4306060000e+00 -1.2309260000e+00 -3.0485600000e-01 -1.6409790000e+00  1.1651540000e+00 -4.4569800000e-01 -1.6987680000e+00  2.2013700000e-01 -6.9649200000e-01 -2.4410370000e+00  1.5155270000e+00
-ENERGY -1.526525912736e+02
-FORCES -4.5627000000e-03  3.3630000000e-04 -1.2405000000e-03  1.9615000000e-03  2.1820000000e-03  1.2911000000e-03  2.5332000000e-03 -3.0454000000e-03  3.0670000000e-04 -1.7339000000e-03 -3.6255000000e-03 -2.2216000000e-03  1.5550000000e-04  6.4210000000e-04  3.2598000000e-03  1.6463000000e-03  3.5106000000e-03 -1.3956000000e-03
-
-JOB 58
-COORDS  5.1102100000e-01  1.8642990000e+00  8.4514300000e-01 -3.2216600000e-01  2.2906650000e+00  6.4453700000e-01  3.3828300000e-01  9.3071200000e-01  7.2345400000e-01 -4.1952800000e-01 -1.8374220000e+00 -7.6878100000e-01 -7.9573700000e-01 -1.0506800000e+00 -1.1634160000e+00 -6.0914800000e-01 -2.5348710000e+00 -1.3963490000e+00
-ENERGY -1.526548406266e+02
-FORCES -3.4849000000e-03 -2.6829000000e-03 -2.9130000000e-04  3.3018000000e-03 -1.9494000000e-03  3.0100000000e-04 -2.1000000000e-06  5.3791000000e-03 -2.5970000000e-04 -2.2244000000e-03 -1.2897000000e-03 -5.2921000000e-03  1.8230000000e-03 -2.4768000000e-03  2.9947000000e-03  5.8670000000e-04  3.0197000000e-03  2.5474000000e-03
-
-JOB 59
-COORDS -4.7999800000e-01 -1.3091300000e+00  1.5626300000e+00 -1.3343650000e+00 -1.6921360000e+00  1.3636400000e+00  4.7658000000e-02 -1.4812170000e+00  7.8276100000e-01  4.3685600000e-01  1.3005820000e+00 -1.4890000000e+00  5.3018600000e-01  1.9820700000e+00 -2.1546540000e+00  1.2827180000e+00  1.2850380000e+00 -1.0412190000e+00
-ENERGY -1.526546854115e+02
-FORCES -1.9859000000e-03 -1.3826000000e-03 -5.0969000000e-03  3.3484000000e-03  1.0521000000e-03  1.2425000000e-03 -1.3054000000e-03  6.5600000000e-05  3.9424000000e-03  3.6766000000e-03  3.6937000000e-03 -5.5440000000e-04 -3.6960000000e-04 -2.8101000000e-03  2.7468000000e-03 -3.3641000000e-03 -6.1860000000e-04 -2.2804000000e-03
-
-JOB 60
-COORDS  3.0169800000e-01  1.9502870000e+00  6.1575800000e-01  3.7105900000e-01  2.3270930000e+00  1.4929340000e+00 -6.3980000000e-01  1.8708300000e+00  4.6245600000e-01 -2.3470900000e-01 -2.0219410000e+00 -6.3544600000e-01  2.1746400000e-01 -1.1839190000e+00 -7.3286300000e-01 -1.1196330000e+00 -1.8563760000e+00 -9.6061000000e-01
-ENERGY -1.526553499277e+02
-FORCES -3.2731000000e-03  2.1164000000e-03  4.2432000000e-03 -4.9230000000e-04 -1.2660000000e-03 -3.7959000000e-03  4.0493000000e-03 -3.2440000000e-04 -2.5300000000e-05 -7.5610000000e-04  4.5242000000e-03 -1.5445000000e-03 -2.7832000000e-03 -4.5935000000e-03 -3.5780000000e-04  3.2553000000e-03 -4.5670000000e-04  1.4804000000e-03
-
-JOB 61
-COORDS -1.4735180000e+00  1.7198800000e+00 -6.2483000000e-01 -7.1324400000e-01  2.1114160000e+00 -1.0548480000e+00 -1.2609320000e+00  7.8865900000e-01 -5.6266100000e-01  1.4676710000e+00 -1.6563570000e+00  6.0681500000e-01  1.3882480000e+00 -1.7046240000e+00  1.5594920000e+00  7.2705800000e-01 -2.1659520000e+00  2.7812600000e-01
-ENERGY -1.526548909402e+02
-FORCES  4.8828000000e-03 -2.2359000000e-03 -1.3608000000e-03 -3.4472000000e-03 -1.2346000000e-03  1.5162000000e-03 -1.8636000000e-03  3.4766000000e-03 -3.5780000000e-04 -2.4626000000e-03 -3.1324000000e-03  3.3523000000e-03  2.2740000000e-04  1.5850000000e-04 -4.1903000000e-03  2.6632000000e-03  2.9677000000e-03  1.0405000000e-03
-
-JOB 62
-COORDS -1.6447110000e+00  8.7873000000e-01  1.3897920000e+00 -2.2229500000e+00  1.1789520000e+00  6.8855100000e-01 -2.2349910000e+00  6.6314900000e-01  2.1118210000e+00  1.7564300000e+00 -8.7994200000e-01 -1.3442340000e+00  1.1538170000e+00 -1.9016400000e-01 -1.6222560000e+00  1.5468350000e+00 -1.6237480000e+00 -1.9090830000e+00
-ENERGY -1.526536210434e+02
-FORCES -4.7469000000e-03  1.5220000000e-04  7.2440000000e-04  2.6582000000e-03 -1.3132000000e-03  2.4796000000e-03  2.3218000000e-03  9.8310000000e-04 -3.0451000000e-03 -3.8218000000e-03  6.9400000000e-05 -2.6238000000e-03  2.6804000000e-03 -2.8468000000e-03  2.9270000000e-04  9.0840000000e-04  2.9553000000e-03  2.1722000000e-03
-
-JOB 63
-COORDS -2.3021490000e+00 -3.1515800000e-01 -7.3263400000e-01 -2.0489140000e+00 -1.2305530000e+00 -8.5161000000e-01 -1.4723070000e+00  1.6035500000e-01 -6.9414300000e-01  2.1770700000e+00  3.2904000000e-01  7.3633000000e-01  2.7321320000e+00  6.0013900000e-01  5.1360000000e-03  2.7678870000e+00  3.0194100000e-01  1.4889470000e+00
-ENERGY -1.526554217995e+02
-FORCES  5.1913000000e-03 -1.6920000000e-03  4.3370000000e-04 -1.3995000000e-03  3.4334000000e-03  1.5480000000e-04 -4.1876000000e-03 -1.7606000000e-03 -1.0260000000e-03  5.2409000000e-03  1.0990000000e-03  8.4590000000e-04 -2.6041000000e-03 -1.1993000000e-03  2.8696000000e-03 -2.2410000000e-03  1.1960000000e-04 -3.2779000000e-03
-
-JOB 64
-COORDS -5.0744500000e-01  1.6617530000e+00 -1.6930490000e+00 -1.0123190000e+00  8.4941500000e-01 -1.7310150000e+00 -3.5036800000e-01  1.8897360000e+00 -2.6093360000e+00  5.1296000000e-01 -1.6817960000e+00  1.7092340000e+00  7.0531000000e-02 -1.4704230000e+00  2.5313110000e+00  1.1625270000e+00 -9.8715100000e-01  1.6007800000e+00
-ENERGY -1.526550848017e+02
-FORCES -1.6018000000e-03 -2.7215000000e-03 -3.9170000000e-03  2.0041000000e-03  3.7674000000e-03 -1.1870000000e-04 -6.1230000000e-04 -8.8240000000e-04  3.7069000000e-03  1.0579000000e-03  4.1216000000e-03  2.9146000000e-03  1.7227000000e-03 -1.0068000000e-03 -3.2931000000e-03 -2.5706000000e-03 -3.2783000000e-03  7.0740000000e-04
-
-JOB 65
-COORDS  2.5075710000e+00  1.2757300000e-01 -5.1163500000e-01  2.0969430000e+00  6.2241100000e-01 -1.2206850000e+00  1.8051990000e+00 -8.2020000000e-03  1.2434500000e-01 -2.4589140000e+00 -1.9037200000e-01  4.6026000000e-01 -2.7695390000e+00  7.0568500000e-01  5.8997300000e-01 -1.9263910000e+00 -3.7415800000e-01  1.2341290000e+00
-ENERGY -1.526542518180e+02
-FORCES -4.9502000000e-03  1.1681000000e-03 -8.2170000000e-04  2.0100000000e-03 -1.7675000000e-03  2.9811000000e-03  3.0714000000e-03  6.8650000000e-04 -1.9508000000e-03 -2.8410000000e-04  2.6645000000e-03  4.0600000000e-03  1.6465000000e-03 -3.7451000000e-03 -6.5090000000e-04 -1.4935000000e-03  9.9340000000e-04 -3.6177000000e-03
-
-JOB 66
-COORDS -1.1613300000e-01  1.0270350000e+00 -2.3114630000e+00  1.2010200000e-01  1.2961750000e+00 -1.4237760000e+00  5.4891300000e-01  1.4302330000e+00 -2.8694750000e+00  5.3053000000e-02 -1.0032870000e+00  2.2781000000e+00  2.6364900000e-01 -1.4512290000e+00  3.0973860000e+00  3.8700000000e-02 -1.6991240000e+00  1.6209580000e+00
-ENERGY -1.526550223351e+02
-FORCES  3.5422000000e-03  2.9865000000e-03  1.7625000000e-03 -8.5580000000e-04 -1.1155000000e-03 -4.2661000000e-03 -2.6585000000e-03 -1.6702000000e-03  2.1673000000e-03  5.0880000000e-04 -4.9844000000e-03  7.7300000000e-04 -8.1600000000e-04  1.7885000000e-03 -3.3461000000e-03  2.7940000000e-04  2.9951000000e-03  2.9093000000e-03
-
-JOB 67
-COORDS  5.0253800000e-01  3.7830300000e-01  2.5265330000e+00 -1.5451300000e-01  2.6372100000e-01  3.2131090000e+00  1.0625660000e+00 -3.9458800000e-01  2.5989090000e+00 -4.6860300000e-01 -3.5092700000e-01 -2.6217490000e+00 -6.7608800000e-01 -9.7225800000e-01 -1.9238030000e+00 -7.7112000000e-01  4.9393400000e-01 -2.2886940000e+00
-ENERGY -1.526546911903e+02
-FORCES  1.1770000000e-04 -3.4395000000e-03  3.6308000000e-03  2.5938000000e-03  4.0700000000e-04 -3.0437000000e-03 -2.5721000000e-03  3.1063000000e-03 -4.0900000000e-04 -1.8353000000e-03  1.3006000000e-03  4.7662000000e-03  7.2860000000e-04  2.0758000000e-03 -3.1148000000e-03  9.6730000000e-04 -3.4502000000e-03 -1.8295000000e-03
-
-JOB 68
-COORDS -3.3979400000e-01  2.5036130000e+00 -9.3166500000e-01 -4.4814400000e-01  1.6552670000e+00 -5.0178000000e-01  1.2656600000e-01  2.3035590000e+00 -1.7432790000e+00  3.5134700000e-01 -2.5080970000e+00  9.1189000000e-01  6.3741900000e-01 -2.1565660000e+00  1.7549910000e+00 -3.8003600000e-01 -1.9471590000e+00  6.5370600000e-01
-ENERGY -1.526537075868e+02
-FORCES  1.7953000000e-03 -4.1059000000e-03 -1.9521000000e-03  1.1920000000e-04  3.1411000000e-03 -1.3516000000e-03 -2.0684000000e-03  8.7180000000e-04  3.4328000000e-03 -1.8891000000e-03  2.9929000000e-03  2.9735000000e-03 -1.2607000000e-03 -1.2789000000e-03 -3.7636000000e-03  3.3038000000e-03 -1.6209000000e-03  6.6100000000e-04
-
-JOB 69
-COORDS -2.1047470000e+00  1.2225250000e+00  1.2909820000e+00 -3.0034110000e+00  1.3585600000e+00  9.9076800000e-01 -2.1709770000e+00  5.1738000000e-01  1.9348890000e+00  2.2028810000e+00 -1.1880470000e+00 -1.2602790000e+00  2.1897540000e+00 -6.4210600000e-01 -2.0464140000e+00  1.4381830000e+00 -1.7567120000e+00 -1.3502180000e+00
-ENERGY -1.526539746420e+02
-FORCES -3.7486000000e-03 -2.2319000000e-03  1.7451000000e-03  3.7256000000e-03 -6.1530000000e-04  1.0814000000e-03  9.4500000000e-05  2.8417000000e-03 -2.7549000000e-03 -3.5577000000e-03  4.5930000000e-04 -3.3691000000e-03  2.5820000000e-04 -2.4187000000e-03  2.9947000000e-03  3.2281000000e-03  1.9649000000e-03  3.0280000000e-04
-
-JOB 70
-COORDS  1.8268810000e+00  5.1556400000e-01 -2.3934870000e+00  2.4023750000e+00 -1.4011100000e-01 -1.9996250000e+00  2.1987230000e+00  1.3549760000e+00 -2.1226490000e+00 -1.8387860000e+00 -5.5346500000e-01  2.3071540000e+00 -1.9508950000e+00  3.6295200000e-01  2.5598250000e+00 -2.4314020000e+00 -1.0356290000e+00  2.8838300000e+00
-ENERGY -1.526538798291e+02
-FORCES  3.6058000000e-03  4.9560000000e-04  3.0775000000e-03 -2.1146000000e-03  2.7542000000e-03 -1.8196000000e-03 -1.4705000000e-03 -3.2935000000e-03 -1.1910000000e-03 -3.0150000000e-03  1.8384000000e-03  3.1304000000e-03  5.2570000000e-04 -3.7417000000e-03 -8.8010000000e-04  2.4686000000e-03  1.9470000000e-03 -2.3173000000e-03
-
-JOB 71
-COORDS -1.5708920000e+00 -1.9537230000e+00  2.0543070000e+00 -2.2629900000e+00 -1.3623530000e+00  1.7584780000e+00 -8.3776200000e-01 -1.7794230000e+00  1.4640770000e+00  1.5489790000e+00  1.8738580000e+00 -2.0529440000e+00  1.7248760000e+00  2.8146160000e+00 -2.0366480000e+00  1.6883950000e+00  1.5879700000e+00 -1.1501360000e+00
-ENERGY -1.526540953843e+02
-FORCES -4.6300000000e-05  2.9092000000e-03 -3.8421000000e-03  2.9048000000e-03 -2.3478000000e-03  1.3392000000e-03 -2.8061000000e-03 -5.2100000000e-04  2.5903000000e-03  1.6206000000e-03  2.9773000000e-03  3.5516000000e-03 -7.7700000000e-04 -3.9145000000e-03 -2.8400000000e-05 -8.9600000000e-04  8.9680000000e-04 -3.6107000000e-03
-
-JOB 72
-COORDS -2.8058910000e+00 -6.9738000000e-02 -1.5679940000e+00 -2.0002880000e+00  3.2904700000e-01 -1.8969410000e+00 -2.7816430000e+00 -9.6763200000e-01 -1.8987970000e+00  2.7472920000e+00  4.4439000000e-02  1.6513390000e+00  3.5570050000e+00  5.3826700000e-01  1.5219920000e+00  2.1480110000e+00  3.8838200000e-01  9.8892100000e-01
-ENERGY -1.526538565530e+02
-FORCES  3.1390000000e-03 -2.2411000000e-03 -2.7467000000e-03 -3.0681000000e-03 -1.5281000000e-03  1.5052000000e-03 -5.0600000000e-05  3.7768000000e-03  1.3181000000e-03  7.9170000000e-04  3.5268000000e-03 -2.9784000000e-03 -3.3343000000e-03 -2.0553000000e-03  4.5500000000e-04  2.5224000000e-03 -1.4790000000e-03  2.4468000000e-03
-
-JOB 73
-COORDS  5.6783700000e-01  8.4195000000e-01 -3.1141940000e+00  1.2740280000e+00  2.3712400000e-01 -2.8867900000e+00  8.1452300000e-01  1.6669540000e+00 -2.6961690000e+00 -5.8723700000e-01 -8.8003600000e-01  3.1127950000e+00 -1.4639570000e+00 -5.3858600000e-01  3.2888820000e+00 -4.8744800000e-01 -8.0708000000e-01  2.1636110000e+00
-ENERGY -1.526543012021e+02
-FORCES  4.1636000000e-03  1.0420000000e-03  2.1897000000e-03 -3.0689000000e-03  2.4486000000e-03 -7.3230000000e-04 -1.1502000000e-03 -3.4875000000e-03 -1.5504000000e-03 -3.4028000000e-03  1.5900000000e-03 -3.1931000000e-03  3.6233000000e-03 -1.3550000000e-03 -6.5640000000e-04 -1.6490000000e-04 -2.3810000000e-04  3.9426000000e-03
-
-JOB 74
-COORDS  3.2184940000e+00  2.5927500000e-01  3.1419000000e-02  3.0318220000e+00  7.3521300000e-01 -7.7782000000e-01  4.1740960000e+00  2.2453900000e-01  7.4422000000e-02 -3.2955690000e+00 -2.3712000000e-01 -9.9210000000e-03 -2.6449210000e+00 -2.1608000000e-01  6.9182400000e-01 -3.4002280000e+00 -1.1667970000e+00 -2.1235800000e-01
-ENERGY -1.526544937530e+02
-FORCES  3.2057000000e-03  1.9097000000e-03 -3.2057000000e-03  8.0480000000e-04 -2.0036000000e-03  3.3554000000e-03 -3.8974000000e-03  1.2030000000e-04 -1.7450000000e-04  2.4725000000e-03 -3.7273000000e-03  2.1423000000e-03 -2.8913000000e-03 -5.8700000000e-05 -2.8758000000e-03  3.0580000000e-04  3.7596000000e-03  7.5820000000e-04
-
-JOB 75
-COORDS -2.9339070000e+00 -1.2182890000e+00 -8.8504100000e-01 -2.9119830000e+00 -2.1719830000e+00 -8.0618000000e-01 -3.8450980000e+00 -9.8381100000e-01 -7.0902400000e-01  2.9899280000e+00  1.2448770000e+00  8.1772200000e-01  2.2209220000e+00  1.1842220000e+00  1.3844520000e+00  3.6521170000e+00  1.6770030000e+00  1.3571710000e+00
-ENERGY -1.526540251640e+02
-FORCES -3.5789000000e-03 -3.0123000000e-03  8.1760000000e-04 -1.4670000000e-04  3.9214000000e-03 -2.3490000000e-04  3.7422000000e-03 -9.2690000000e-04 -6.4270000000e-04 -7.6360000000e-04  1.4667000000e-03  4.3676000000e-03  3.3900000000e-03  3.1260000000e-04 -2.1174000000e-03 -2.6432000000e-03 -1.7616000000e-03 -2.1902000000e-03
-
-JOB 76
-COORDS -8.1172000000e-02 -3.4979700000e+00  8.6611600000e-01  2.8792100000e-01 -4.0866740000e+00  2.0776300000e-01 -3.2460500000e-01 -2.7125070000e+00  3.7619800000e-01  1.0659600000e-01  3.5405080000e+00 -7.8872800000e-01 -3.4965700000e-01  2.9393500000e+00 -1.9993700000e-01 -1.5991000000e-02  3.1626890000e+00 -1.6596230000e+00
-ENERGY -1.526538028776e+02
-FORCES  6.3280000000e-04  6.0070000000e-04 -4.6571000000e-03 -1.5618000000e-03  2.4758000000e-03  2.6802000000e-03  9.1510000000e-04 -3.0094000000e-03  1.9847000000e-03 -2.3822000000e-03 -3.7736000000e-03 -1.0618000000e-03  1.8858000000e-03  2.3075000000e-03 -2.5397000000e-03  5.1030000000e-04  1.3990000000e-03  3.5938000000e-03
-
-JOB 77
-COORDS  3.3683840000e+00  6.4263500000e-01  1.1928590000e+00  3.0281710000e+00  1.3724350000e+00  6.7529000000e-01  3.9336210000e+00  1.6230700000e-01  5.8786000000e-01 -3.4079090000e+00 -6.6699600000e-01 -1.0673230000e+00 -3.8889900000e+00 -4.9808700000e-01 -1.8774240000e+00 -2.4869990000e+00 -6.5482900000e-01 -1.3281070000e+00
-ENERGY -1.526539033771e+02
-FORCES  1.0250000000e-03  1.0924000000e-03 -4.4090000000e-03  1.3387000000e-03 -3.0646000000e-03  2.0104000000e-03 -2.3955000000e-03  1.9550000000e-03  2.4123000000e-03  1.8061000000e-03  6.5250000000e-04 -4.2513000000e-03  1.9945000000e-03 -6.6380000000e-04  3.2975000000e-03 -3.7687000000e-03  2.8500000000e-05  9.4010000000e-04
-
-JOB 78
-COORDS  2.4946670000e+00 -2.6819260000e+00  7.3695500000e-01  1.5951720000e+00 -2.8556910000e+00  1.0143450000e+00  2.8717040000e+00 -3.5490810000e+00  5.8823500000e-01 -2.4275610000e+00  2.7437060000e+00 -7.8781200000e-01 -2.1983850000e+00  2.4831580000e+00  1.0427800000e-01 -3.3823640000e+00  2.8109970000e+00 -7.8037500000e-01
-ENERGY -1.526539470625e+02
-FORCES -2.1137000000e-03 -4.2490000000e-03  3.5810000000e-04  3.6435000000e-03  7.3850000000e-04 -1.0214000000e-03 -1.5418000000e-03  3.5319000000e-03  6.5140000000e-04 -2.8127000000e-03 -7.2990000000e-04  3.6788000000e-03 -1.0572000000e-03  1.0214000000e-03 -3.6313000000e-03  3.8818000000e-03 -3.1290000000e-04 -3.5600000000e-05
-
-JOB 79
-COORDS -3.7772900000e+00 -1.4380080000e+00  1.1006310000e+00 -2.8700930000e+00 -1.6955580000e+00  9.3664000000e-01 -4.2918780000e+00 -1.9750100000e+00  4.9808500000e-01  3.7860660000e+00  1.4304420000e+00 -1.0262950000e+00  3.5091190000e+00  2.2373680000e+00 -5.9224000000e-01  3.5279600000e+00  1.5488830000e+00 -1.9403980000e+00
-ENERGY -1.526542043470e+02
-FORCES  1.6702000000e-03 -3.3057000000e-03 -3.0709000000e-03 -3.7740000000e-03  1.0822000000e-03  6.3810000000e-04  2.0737000000e-03  2.2142000000e-03  2.4329000000e-03 -2.1201000000e-03  3.8884000000e-03 -1.9313000000e-03  1.1290000000e-03 -3.3314000000e-03 -1.7930000000e-03  1.0213000000e-03 -5.4770000000e-04  3.7243000000e-03
-
-JOB 80
-COORDS  2.3252380000e+00  3.7210810000e+00 -2.0581760000e+00  1.6749950000e+00  4.4156120000e+00 -1.9530880000e+00  2.7629780000e+00  3.6715770000e+00 -1.2083730000e+00 -2.3269220000e+00 -3.7117040000e+00  1.9501550000e+00 -2.8909910000e+00 -4.3847630000e+00  2.3310100000e+00 -1.4890050000e+00 -3.8177610000e+00  2.4005740000e+00
-ENERGY -1.526540281794e+02
-FORCES -9.7020000000e-04  2.5644000000e-03  3.9097000000e-03  2.6961000000e-03 -2.7896000000e-03 -4.3650000000e-04 -1.7332000000e-03  2.2280000000e-04 -3.4643000000e-03  1.1411000000e-03 -3.2091000000e-03  3.3257000000e-03  2.2953000000e-03  2.7593000000e-03 -1.5367000000e-03 -3.4291000000e-03  4.5220000000e-04 -1.7981000000e-03
-
-JOB 81
-COORDS -3.5622480000e+00  2.5640170000e+00  2.3255030000e+00 -4.0270060000e+00  3.4005550000e+00  2.3463900000e+00 -4.2185460000e+00  1.9321240000e+00  2.0318780000e+00  3.6648730000e+00 -2.6107200000e+00 -2.2762420000e+00  2.7279010000e+00 -2.5126350000e+00 -2.1068460000e+00  3.8303240000e+00 -2.0558530000e+00 -3.0384630000e+00
-ENERGY -1.526540969981e+02
-FORCES -4.6013000000e-03  8.6520000000e-04 -1.0212000000e-03  1.9009000000e-03 -3.4237000000e-03 -1.1540000000e-04  2.7065000000e-03  2.5638000000e-03  1.1483000000e-03 -3.1672000000e-03  2.7422000000e-03 -2.3322000000e-03  3.8229000000e-03 -4.5710000000e-04 -7.4960000000e-04 -6.6190000000e-04 -2.2904000000e-03  3.0700000000e-03
-
-JOB 82
-COORDS -3.7578300000e-01  4.8741430000e+00  9.6266200000e-01 -8.6263000000e-01  4.6558070000e+00  1.7573570000e+00  9.2981000000e-02  5.6793640000e+00  1.1820030000e+00  3.4213800000e-01 -4.8751940000e+00 -1.0568100000e+00  6.9288400000e-01 -5.7599700000e+00 -1.1586970000e+00  6.4342200000e-01 -4.5956770000e+00 -1.9232700000e-01
-ENERGY -1.526539927148e+02
-FORCES -1.0920000000e-04  2.3856000000e-03  4.0956000000e-03  2.0091000000e-03  8.9320000000e-04 -3.2201000000e-03 -1.9025000000e-03 -3.2899000000e-03 -8.8320000000e-04  2.6798000000e-03 -2.3856000000e-03  3.0936000000e-03 -1.4391000000e-03  3.5928000000e-03  4.1880000000e-04 -1.2381000000e-03 -1.1961000000e-03 -3.5046000000e-03
-
-JOB 83
-COORDS -3.6880800000e+00  9.7341200000e-01 -3.4810150000e+00 -3.6230420000e+00  1.0527580000e+00 -2.5293290000e+00 -3.8943550000e+00  1.8583110000e+00 -3.7820730000e+00  3.6633630000e+00 -9.9418100000e-01  3.4882850000e+00  3.2811710000e+00 -1.4635600000e+00  2.7467700000e+00  4.6057860000e+00 -1.1389700000e+00  3.4039860000e+00
-ENERGY -1.526541544950e+02
-FORCES -6.1000000000e-04  3.9647000000e-03  2.6704000000e-03 -2.4520000000e-04 -3.5000000000e-04 -3.8969000000e-03  8.4760000000e-04 -3.6151000000e-03  1.2152000000e-03  2.3145000000e-03 -2.5430000000e-03 -3.3768000000e-03  1.5375000000e-03  1.9417000000e-03  3.0376000000e-03 -3.8444000000e-03  6.0170000000e-04  3.5050000000e-04
-
-JOB 84
-COORDS  4.4351080000e+00  9.7646300000e-01 -2.4936590000e+00  5.3648860000e+00  1.1963800000e+00 -2.4355040000e+00  4.0979340000e+00  1.1237510000e+00 -1.6100010000e+00 -4.4727950000e+00 -1.0175180000e+00  2.3905720000e+00 -3.9211160000e+00 -2.8060100000e-01  2.6529370000e+00 -4.8745700000e+00 -1.3186110000e+00  3.2055270000e+00
-ENERGY -1.526539951175e+02
-FORCES  2.3943000000e-03  1.4619000000e-03  3.8246000000e-03 -3.7941000000e-03 -8.8830000000e-04 -2.2990000000e-04  1.3897000000e-03 -5.7370000000e-04 -3.5866000000e-03  5.8130000000e-04  1.7694000000e-03  4.3662000000e-03 -2.2246000000e-03 -3.0043000000e-03 -1.0543000000e-03  1.6533000000e-03  1.2350000000e-03 -3.3200000000e-03
-
-JOB 85
-COORDS -3.2584820000e+00 -4.0572910000e+00 -6.6360900000e-01 -3.8162650000e+00 -3.8674190000e+00  9.0751000000e-02 -3.8660010000e+00 -4.3458330000e+00 -1.3447080000e+00  3.2770510000e+00  4.0393340000e+00  6.6370100000e-01  4.0966130000e+00  3.7268890000e+00  1.0470130000e+00  3.5139430000e+00  4.8554210000e+00  2.2311600000e-01
-ENERGY -1.526540016647e+02
-FORCES -4.7284000000e-03 -3.0680000000e-04  3.1290000000e-04  2.2538000000e-03 -8.2570000000e-04 -3.0803000000e-03  2.4744000000e-03  1.1466000000e-03  2.7719000000e-03  4.3074000000e-03  1.9802000000e-03 -2.6360000000e-04 -3.3356000000e-03  1.3129000000e-03 -1.5480000000e-03 -9.7160000000e-04 -3.3071000000e-03  1.8072000000e-03
-
-JOB 86
-COORDS  3.2739010000e+00  4.3500020000e+00 -1.1117910000e+00  2.8505100000e+00  3.6516800000e+00 -6.1247300000e-01  2.7138600000e+00  4.4701470000e+00 -1.8787010000e+00 -3.2748680000e+00 -4.2944430000e+00  1.1164010000e+00 -2.5324290000e+00 -3.8847220000e+00  1.5604100000e+00 -2.9670910000e+00 -5.1734960000e+00  8.9556100000e-01
-ENERGY -1.526540784280e+02
-FORCES -4.0428000000e-03 -2.3183000000e-03 -1.1119000000e-03  1.7487000000e-03  2.8174000000e-03 -2.0188000000e-03  2.3011000000e-03 -5.0310000000e-04  3.1350000000e-03  4.2475000000e-03 -1.9929000000e-03  9.5320000000e-04 -3.0121000000e-03 -1.6176000000e-03 -1.8470000000e-03 -1.2424000000e-03  3.6146000000e-03  8.8940000000e-04
-
-JOB 87
-COORDS  5.4194360000e+00 -3.1723100000e-01 -1.9660080000e+00  5.1784750000e+00  4.0451500000e-01 -2.5467430000e+00  5.3864960000e+00  6.0634000000e-02 -1.0871650000e+00 -5.3974300000e+00  2.6565000000e-01  2.0175440000e+00 -4.7613600000e+00 -1.2341500000e-01  1.4173150000e+00 -6.1638670000e+00  4.4387700000e-01  1.4725290000e+00
-ENERGY -1.526540982145e+02
-FORCES -1.0647000000e-03  4.4978000000e-03  1.2386000000e-03  9.5470000000e-04 -2.9549000000e-03  2.3597000000e-03  1.1320000000e-04 -1.5471000000e-03 -3.6013000000e-03 -5.5680000000e-04 -9.0720000000e-04 -4.6689000000e-03 -2.5812000000e-03  1.6210000000e-03  2.4503000000e-03  3.1348000000e-03 -7.0960000000e-04  2.2217000000e-03
-
-JOB 88
-COORDS -6.5027700000e+00 -2.0653700000e-01  2.4424300000e+00 -5.6642870000e+00  8.6200000000e-02  2.7994810000e+00 -6.6087320000e+00 -1.0967830000e+00  2.7777890000e+00  6.4844490000e+00  2.4318900000e-01 -2.4102100000e+00  7.0335070000e+00 -7.3383000000e-02 -3.1275310000e+00  5.6372430000e+00  4.2301700000e-01 -2.8178070000e+00
-ENERGY -1.526541041029e+02
-FORCES  2.9914000000e-03 -2.4338000000e-03  2.8459000000e-03 -3.4237000000e-03 -1.1945000000e-03 -1.4689000000e-03  4.2840000000e-04  3.6283000000e-03 -1.3771000000e-03 -1.2060000000e-03 -5.4520000000e-04 -4.6078000000e-03 -2.2411000000e-03  1.2861000000e-03  2.9311000000e-03  3.4510000000e-03 -7.4090000000e-04  1.6767000000e-03
-
-JOB 89
-COORDS -3.5553870000e+00  3.2328470000e+00  5.5643900000e+00 -3.3981810000e+00  2.4197010000e+00  5.0844820000e+00 -2.6809430000e+00  3.5582210000e+00  5.7781950000e+00  3.5378820000e+00 -3.2574650000e+00 -5.5455320000e+00  3.8540640000e+00 -2.3636920000e+00 -5.4135070000e+00  2.5961560000e+00 -3.1604600000e+00 -5.6868620000e+00
-ENERGY -1.526540639962e+02
-FORCES  4.2055000000e-03 -1.9979000000e-03 -1.0528000000e-03 -6.3950000000e-04  3.3245000000e-03  1.9388000000e-03 -3.5669000000e-03 -1.3249000000e-03 -8.8860000000e-04 -2.5458000000e-03  4.0349000000e-03 -7.8800000000e-05 -1.2952000000e-03 -3.6453000000e-03 -5.1680000000e-04  3.8420000000e-03 -3.9120000000e-04  5.9820000000e-04
-
-JOB 0
-COORDS -6.8705100000e-01 -4.7308800000e-01  8.7317800000e-01 -1.3413110000e+00 -9.7942900000e-01  1.3546290000e+00  9.6754000000e-02 -5.1100700000e-01  1.4213050000e+00  7.3921500000e-01  4.9002800000e-01 -9.7182000000e-01  3.4053900000e-01 -4.2156000000e-02 -2.8329300000e-01  1.8101200000e-01  1.2654880000e+00 -1.0292900000e+00
-ENERGY -1.526510668084e+02
-FORCES  7.5232000000e-03  3.4984000000e-03 -1.2122900000e-02  4.4543000000e-03  3.9669000000e-03 -6.9130000000e-04 -3.2926000000e-03  3.2150000000e-04 -9.2860000000e-03 -1.7378000000e-02 -6.1887000000e-03  1.2443900000e-02  6.8098000000e-03 -6.3570000000e-04  1.0251700000e-02  1.8833000000e-03 -9.6240000000e-04 -5.9540000000e-04
-
-JOB 1
-COORDS -5.2215900000e-01  6.9367400000e-01  1.0195270000e+00 -5.2859500000e-01  1.9948600000e-01  1.9979000000e-01 -1.1387420000e+00  1.4108650000e+00  8.7223200000e-01  5.6088900000e-01 -6.9906000000e-01 -8.9017200000e-01  1.5249800000e-01 -1.4109870000e+00 -1.3827240000e+00  9.3567600000e-01 -1.2765400000e-01 -1.5604430000e+00
-ENERGY -1.526566489367e+02
-FORCES  5.7090000000e-03 -8.8526000000e-03 -1.1587600000e-02 -6.5837000000e-03  5.3376000000e-03  5.1028000000e-03  2.9092000000e-03 -3.2108000000e-03 -2.3363000000e-03  5.9290000000e-04  4.7513000000e-03  2.5352000000e-03  7.0650000000e-04  5.3685000000e-03  3.2930000000e-03 -3.3339000000e-03 -3.3941000000e-03  2.9929000000e-03
-
-JOB 2
-COORDS  8.4091300000e-01  5.4708100000e-01 -9.2067700000e-01  2.3452300000e-01  2.5393400000e-01 -2.4053900000e-01  4.1431700000e-01  3.0562300000e-01 -1.7428370000e+00 -7.4280700000e-01 -4.5959400000e-01  9.2924700000e-01 -1.5960310000e+00 -5.5684700000e-01  5.0642200000e-01 -5.6903000000e-01 -1.3164300000e+00  1.3189470000e+00
-ENERGY -1.526576965208e+02
-FORCES -1.1343200000e-02 -8.1430000000e-03  1.2705100000e-02  2.6196000000e-03  4.4950000000e-03 -8.0711000000e-03 -4.3250000000e-04 -2.0700000000e-05  3.3140000000e-03  5.8444000000e-03 -7.2000000000e-04 -6.2172000000e-03  6.1957000000e-03  2.4490000000e-04  4.2320000000e-04 -2.8840000000e-03  4.1438000000e-03 -2.1540000000e-03
-
-JOB 3
-COORDS  5.5413000000e-01  1.2416790000e+00  1.1898700000e-01  1.2023780000e+00  1.2354460000e+00 -5.8526300000e-01  3.5098100000e-01  3.1796600000e-01  2.6635200000e-01 -5.6758800000e-01 -1.1648370000e+00 -2.6547000000e-02 -4.6396000000e-02 -1.8456020000e+00 -4.5216500000e-01 -1.2528930000e+00 -9.5532300000e-01 -6.6112800000e-01
-ENERGY -1.526583404356e+02
-FORCES -5.2019000000e-03 -1.6599200000e-02 -1.5348000000e-03 -2.3649000000e-03 -1.2262000000e-03  1.5421000000e-03  4.9771000000e-03  8.1378000000e-03  3.4050000000e-04  3.2990000000e-04  7.1923000000e-03 -4.3172000000e-03 -1.8380000000e-03  5.2411000000e-03  1.3288000000e-03  4.0978000000e-03 -2.7458000000e-03  2.6405000000e-03
-
-JOB 4
-COORDS -6.6519000000e-02  5.8163900000e-01  1.1315760000e+00  6.7089300000e-01  4.8848900000e-01  1.7347170000e+00 -4.4882800000e-01  1.4317090000e+00  1.3494130000e+00  9.0824000000e-02 -6.2499700000e-01 -1.2367080000e+00 -7.5796100000e-01 -1.0632730000e+00 -1.1758080000e+00  2.0703300000e-01 -2.0733400000e-01 -3.8331300000e-01
-ENERGY -1.526592023781e+02
-FORCES -1.2260000000e-04  1.2710000000e-04 -6.5809000000e-03 -3.8471000000e-03  1.0132000000e-03 -4.1077000000e-03  2.5118000000e-03 -4.5044000000e-03  1.0093000000e-03 -3.9883000000e-03  7.0413000000e-03  1.5526200000e-02  1.8177000000e-03  1.1589000000e-03 -5.7240000000e-04  3.6286000000e-03 -4.8362000000e-03 -5.2746000000e-03
-
-JOB 5
-COORDS -5.6961000000e-02  1.3085190000e+00 -1.3337600000e-01  2.7145900000e-01  1.6645800000e+00 -9.5896300000e-01  5.3512100000e-01  1.6595470000e+00  5.3179300000e-01  6.6267000000e-02 -1.3640220000e+00  1.1166900000e-01 -6.1225100000e-01 -1.8824060000e+00  5.4424700000e-01 -2.2040900000e-01 -4.5696400000e-01  2.1794800000e-01
-ENERGY -1.526600418158e+02
-FORCES  4.6741000000e-03 -4.7906000000e-03 -3.0845000000e-03 -9.4510000000e-04  2.7230000000e-04  4.7973000000e-03 -3.1025000000e-03 -2.4472000000e-03 -3.3969000000e-03 -2.1697000000e-03  1.2734200000e-02 -1.7090000000e-03  1.4484000000e-03  3.9973000000e-03 -1.0205000000e-03  9.4900000000e-05 -9.7661000000e-03  4.4136000000e-03
-
-JOB 6
-COORDS  1.6650800000e-01 -2.8062600000e-01 -1.3056300000e+00  2.7555200000e-01  2.0305700000e-01 -2.1244050000e+00  6.5787300000e-01  2.2697500000e-01 -6.5977100000e-01 -2.2454200000e-01  1.6911900000e-01  1.2675720000e+00 -2.9267400000e-01  1.1200010000e+00  1.1814740000e+00  2.0742000000e-01  3.4869000000e-02  2.1111460000e+00
-ENERGY -1.526520699659e+02
-FORCES  1.1939000000e-03  1.3025000000e-03  8.6921000000e-03 -1.1106000000e-03 -5.7740000000e-04  5.3548000000e-03  3.3380000000e-04  2.3245000000e-03 -6.2447000000e-03 -2.0601000000e-03  1.7209000000e-03 -6.3230000000e-04  3.2711000000e-03 -5.1203000000e-03 -1.8548000000e-03 -1.6281000000e-03  3.4980000000e-04 -5.3152000000e-03
-
-JOB 7
-COORDS -6.1648700000e-01  1.1478220000e+00 -1.0301700000e-01 -6.1416100000e-01  1.3494240000e+00 -1.0387430000e+00 -1.5050820000e+00  1.3565000000e+00  1.8522800000e-01  7.0284300000e-01 -1.2050810000e+00  1.9433800000e-01  8.5723700000e-01 -1.3379760000e+00 -7.4093300000e-01  4.1782000000e-02 -5.1387500000e-01  2.3260900000e-01
-ENERGY -1.526582254242e+02
-FORCES  1.1342000000e-03 -1.9219000000e-03 -2.7075000000e-03 -6.2540000000e-04 -1.8320000000e-03  4.8566000000e-03  4.9183000000e-03 -2.0787000000e-03 -1.9848000000e-03 -7.3514000000e-03  1.3571600000e-02 -3.6342000000e-03 -4.9660000000e-04  9.2770000000e-04  2.0627000000e-03  2.4209000000e-03 -8.6667000000e-03  1.4072000000e-03
-
-JOB 8
-COORDS -4.0255700000e-01  7.9257300000e-01 -1.1199720000e+00 -1.1172260000e+00  1.6235800000e-01 -1.0288260000e+00  3.6410000000e-03  8.2172800000e-01 -2.5372400000e-01  3.7386200000e-01 -7.2807200000e-01  1.0928850000e+00  1.2650610000e+00 -3.9737200000e-01  9.8048800000e-01  3.3885000000e-01 -1.5137840000e+00  5.4730000000e-01
-ENERGY -1.526553687184e+02
-FORCES -1.0896000000e-03 -8.0622000000e-03  1.2861600000e-02  1.4935000000e-03  9.0650000000e-04 -2.8832000000e-03  4.1326000000e-03  4.1416000000e-03 -3.9814000000e-03  2.5190000000e-03 -2.0376000000e-03 -7.8757000000e-03 -6.2937000000e-03  1.5094000000e-03 -9.9290000000e-04 -7.6180000000e-04  3.5423000000e-03  2.8718000000e-03
-
-JOB 9
-COORDS  9.9663300000e-01  5.5903600000e-01  6.4523800000e-01  1.9353140000e+00  6.1045500000e-01  4.6505700000e-01  8.3646400000e-01  1.2537250000e+00  1.2839750000e+00 -1.0689930000e+00 -5.6987700000e-01 -7.2043300000e-01 -1.4381000000e-01 -4.5507800000e-01 -5.0343600000e-01 -1.3966870000e+00 -1.1796170000e+00 -5.9323000000e-02
-ENERGY -1.526579651912e+02
-FORCES -5.1105000000e-03  2.8193000000e-03  3.6840000000e-04 -5.2960000000e-03 -5.8600000000e-04  1.6830000000e-04  3.1062000000e-03 -3.1064000000e-03 -2.0953000000e-03  9.6395000000e-03  3.7187000000e-03  8.8465000000e-03 -2.8864000000e-03 -4.8693000000e-03 -5.5548000000e-03  5.4720000000e-04  2.0235000000e-03 -1.7330000000e-03
-
-JOB 10
-COORDS -7.4824800000e-01 -8.5371000000e-01 -7.2163700000e-01 -6.1417800000e-01 -1.5975630000e+00 -1.3089530000e+00 -1.1279240000e+00 -1.7382900000e-01 -1.2782700000e+00  8.2240100000e-01  8.6848600000e-01  8.0736700000e-01  2.0311000000e-01  1.5577860000e+00  5.6741500000e-01  3.6263100000e-01  5.2869000000e-02  6.0833800000e-01
-ENERGY -1.526582708994e+02
-FORCES  2.5891000000e-03  2.6886000000e-03 -3.1397000000e-03 -1.0808000000e-03  3.9966000000e-03  1.9816000000e-03  1.4835000000e-03 -3.0044000000e-03  2.9601000000e-03 -8.5329000000e-03 -6.9932000000e-03 -6.7625000000e-03  1.6447000000e-03 -1.5216000000e-03 -1.9340000000e-04  3.8964000000e-03  4.8341000000e-03  5.1538000000e-03
-
-JOB 11
-COORDS  5.7266900000e-01 -6.4541400000e-01 -1.0976360000e+00 -1.0642800000e-01 -2.8480000000e-02 -8.2477800000e-01  5.9726300000e-01 -5.6883800000e-01 -2.0514510000e+00 -5.0200700000e-01  6.3707300000e-01  1.0879670000e+00 -1.6655100000e-01  2.0966500000e-01  1.8760170000e+00 -1.4468310000e+00  4.8641200000e-01  1.1169470000e+00
-ENERGY -1.526571542160e+02
-FORCES -3.2954000000e-03  5.6219000000e-03  5.3932000000e-03 -6.3400000000e-05 -4.0255000000e-03 -8.0420000000e-03 -1.4010000000e-03  1.0666000000e-03  4.4421000000e-03  2.8645000000e-03 -5.7121000000e-03  3.0980000000e-03 -3.0417000000e-03  2.9478000000e-03 -2.0706000000e-03  4.9370000000e-03  1.0130000000e-04 -2.8207000000e-03
-
-JOB 12
-COORDS  1.2517370000e+00  1.0947700000e-01  6.9516100000e-01  1.8972010000e+00  1.5412000000e-01 -1.0258000000e-02  4.1397900000e-01 -6.5480000000e-03  2.4690700000e-01 -1.1902810000e+00 -5.7518000000e-02 -5.8599100000e-01 -1.1049850000e+00 -3.6939500000e-01 -1.4869280000e+00 -1.9914890000e+00 -4.7050600000e-01 -2.6390600000e-01
-ENERGY -1.526602064924e+02
-FORCES -1.1045800000e-02 -2.4030000000e-04 -7.2712000000e-03 -2.8535000000e-03 -4.8710000000e-04  1.0400000000e-03  9.7986000000e-03 -1.8500000000e-05  3.1293000000e-03  3.0950000000e-04 -2.3645000000e-03  1.1242000000e-03  1.6090000000e-04  1.2563000000e-03  5.0781000000e-03  3.6302000000e-03  1.8541000000e-03 -3.1003000000e-03
-
-JOB 13
-COORDS -1.8837000000e-02 -1.3817600000e+00  3.5809000000e-02 -8.6093300000e-01 -1.7901670000e+00  2.3658400000e-01  1.4555100000e-01 -1.6082480000e+00 -8.7956600000e-01  7.3601000000e-02  1.4634140000e+00  6.0333000000e-02 -2.3926200000e-01  1.7380880000e+00 -8.0158500000e-01  1.3961500000e-01  5.1045200000e-01 -7.9900000000e-04
-ENERGY -1.526601507633e+02
-FORCES -3.9961000000e-03 -1.9854000000e-03 -6.4770000000e-04  4.5013000000e-03  1.2007000000e-03 -2.1615000000e-03 -1.6232000000e-03  3.5062000000e-03  4.5671000000e-03 -1.2180000000e-03 -1.1233800000e-02 -1.2953000000e-03  9.4650000000e-04 -2.0376000000e-03  2.2723000000e-03  1.3895000000e-03  1.0549900000e-02 -2.7349000000e-03
-
-JOB 14
-COORDS  7.8210500000e-01  4.8007300000e-01 -1.1569450000e+00  1.3184600000e-01  4.1169500000e-01 -4.5786000000e-01  1.6135210000e+00  6.0661300000e-01 -6.9981500000e-01 -7.9726700000e-01 -4.2608500000e-01  1.0507400000e+00 -6.4997500000e-01 -1.3337750000e+00  7.8496800000e-01 -8.7195500000e-01 -4.6431800000e-01  2.0042560000e+00
-ENERGY -1.526607353084e+02
-FORCES -3.1301000000e-03 -2.9510000000e-04  1.0259300000e-02  3.8728000000e-03 -1.6320000000e-04 -7.9250000000e-03 -2.0358000000e-03 -6.3840000000e-04 -1.6918000000e-03  1.1235000000e-03 -2.6747000000e-03  1.6969000000e-03 -4.7350000000e-04  5.1767000000e-03  1.9557000000e-03  6.4320000000e-04 -1.4053000000e-03 -4.2951000000e-03
-
-JOB 15
-COORDS  1.7105300000e-01  7.0770700000e-01 -1.3014640000e+00 -4.5386500000e-01  1.3303620000e+00 -9.2996600000e-01  1.3283100000e-01 -4.8766000000e-02 -7.1621200000e-01 -1.4780800000e-01 -6.6721500000e-01  1.1830070000e+00  5.6857400000e-01 -1.2818440000e+00  1.3419410000e+00 -5.9075700000e-01 -5.9120800000e-01  2.0281400000e+00
-ENERGY -1.526584376009e+02
-FORCES -4.3411000000e-03 -2.8274000000e-03  1.1659000000e-02  1.4189000000e-03 -1.5670000000e-04 -2.6020000000e-03  3.5076000000e-03 -2.4630000000e-04 -6.3629000000e-03  4.4240000000e-04  8.2080000000e-04  2.2621000000e-03 -3.8305000000e-03  3.0983000000e-03 -1.7571000000e-03  2.8028000000e-03 -6.8870000000e-04 -3.1992000000e-03
-
-JOB 16
-COORDS -2.3697200000e-01  9.2975200000e-01  1.1195870000e+00  7.1352000000e-01  8.5545100000e-01  1.2048900000e+00 -5.5240900000e-01  2.6708000000e-02  1.1548530000e+00  2.4767100000e-01 -8.8504600000e-01 -1.1711540000e+00  2.1909200000e-01 -1.6532800000e-01 -5.4074100000e-01 -5.6774200000e-01 -1.3646050000e+00 -1.0250150000e+00
-ENERGY -1.526543199672e+02
-FORCES  2.6926000000e-03 -3.9024000000e-03  4.4113000000e-03 -5.9303000000e-03 -4.5190000000e-04 -4.2927000000e-03  2.4140000000e-03  4.0555000000e-03 -6.5726000000e-03 -5.3708000000e-03  6.3358000000e-03  3.8799000000e-03  2.7599000000e-03 -7.9457000000e-03  1.1550000000e-03  3.4347000000e-03  1.9088000000e-03  1.4191000000e-03
-
-JOB 17
-COORDS  9.2733000000e-02 -6.2205100000e-01  1.3455320000e+00  9.6332300000e-01 -1.0182390000e+00  1.3089220000e+00  4.2059000000e-02 -8.0786000000e-02  5.5768900000e-01 -1.5224500000e-01  6.1105600000e-01 -1.2308480000e+00 -2.3815000000e-01 -1.1391200000e-01 -1.8499390000e+00  1.1754900000e-01  1.3553730000e+00 -1.7688410000e+00
-ENERGY -1.526612541030e+02
-FORCES  2.0548000000e-03  4.8715000000e-03 -8.7031000000e-03 -2.6527000000e-03  8.9100000000e-04 -3.3010000000e-04  3.5480000000e-04 -5.4989000000e-03  7.8760000000e-03  2.8160000000e-04 -5.6700000000e-05 -2.5730000000e-03  1.3143000000e-03  4.1618000000e-03  2.6167000000e-03 -1.3526000000e-03 -4.3687000000e-03  1.1134000000e-03
-
-JOB 18
-COORDS -9.1624300000e-01  1.0605060000e+00 -3.0541600000e-01 -8.0219100000e-01  3.2436200000e-01 -9.0651100000e-01 -1.8486340000e+00  1.2706540000e+00 -3.5752800000e-01  1.0052830000e+00 -1.0261130000e+00  2.8837300000e-01  4.8439300000e-01 -1.7884290000e+00  5.4092100000e-01  8.1229800000e-01 -3.7078700000e-01  9.5884800000e-01
-ENERGY -1.526580904420e+02
-FORCES  1.6460000000e-04 -3.9158000000e-03 -4.0004000000e-03 -4.1948000000e-03  4.6411000000e-03  1.8563000000e-03  3.9745000000e-03 -2.2105000000e-03  4.0710000000e-04 -4.0660000000e-03  3.3758000000e-03  5.5287000000e-03  1.2355000000e-03  3.2116000000e-03 -2.1093000000e-03  2.8862000000e-03 -5.1021000000e-03 -1.6824000000e-03
-
-JOB 19
-COORDS  1.4026940000e+00  4.4685400000e-01 -3.1952400000e-01  1.4123570000e+00  1.3047550000e+00  1.0490900000e-01  4.9431600000e-01  1.5374800000e-01 -2.4762300000e-01 -1.3333840000e+00 -4.2180300000e-01  3.1600300000e-01 -1.8807490000e+00 -5.5697400000e-01 -4.5752900000e-01 -1.0729590000e+00 -1.3034240000e+00  5.8275100000e-01
-ENERGY -1.526614805058e+02
-FORCES -1.0286700000e-02  9.2100000000e-04  3.7215000000e-03  3.6850000000e-04 -2.4270000000e-03 -1.4409000000e-03  9.8981000000e-03  1.3280000000e-04 -3.0788000000e-03 -3.4304000000e-03 -4.5442000000e-03 -2.3420000000e-04  3.8264000000e-03  5.3000000000e-04  3.7733000000e-03 -3.7600000000e-04  5.3875000000e-03 -2.7409000000e-03
-
-JOB 20
-COORDS -4.7642100000e-01  1.1878690000e+00 -7.9632900000e-01 -7.6466000000e-02  4.4973700000e-01 -3.3651600000e-01 -1.2337140000e+00  8.1012500000e-01 -1.2435960000e+00  4.3268500000e-01 -1.0964120000e+00  7.6766600000e-01  8.6610900000e-01 -8.8930700000e-01  1.5956050000e+00  9.8775200000e-01 -1.7654330000e+00  3.6698800000e-01
-ENERGY -1.526618411383e+02
-FORCES  6.1600000000e-04 -9.6303000000e-03  4.6474000000e-03 -2.1694000000e-03  8.3424000000e-03 -5.7616000000e-03  2.3630000000e-03  1.0307000000e-03  9.1420000000e-04  3.3919000000e-03 -1.6005000000e-03  2.4710000000e-03 -1.5367000000e-03 -1.6524000000e-03 -4.5277000000e-03 -2.6647000000e-03  3.5101000000e-03  2.2567000000e-03
-
-JOB 21
-COORDS  1.1053170000e+00  5.3265000000e-02 -1.0016770000e+00  1.9892980000e+00 -8.8159000000e-02 -6.6284400000e-01  5.3287700000e-01 -9.9087000000e-02 -2.4979000000e-01 -1.1060210000e+00 -1.2430000000e-02  8.8897400000e-01 -1.5982230000e+00  4.3778600000e-01  1.5754690000e+00 -9.5963400000e-01 -8.9228400000e-01  1.2363330000e+00
-ENERGY -1.526584348022e+02
-FORCES -4.1291000000e-03  1.3380000000e-03  6.4741000000e-03 -3.6520000000e-03  1.4400000000e-04 -2.5970000000e-04  7.2146000000e-03 -4.7305000000e-03 -4.4732000000e-03 -3.1126000000e-03  1.3331000000e-03  3.6414000000e-03  1.5061000000e-03 -3.4689000000e-03 -2.5894000000e-03  2.1730000000e-03  5.3843000000e-03 -2.7932000000e-03
-
-JOB 22
-COORDS -2.0293800000e-01 -1.1922520000e+00 -7.3860400000e-01 -1.1978400000e-01 -1.3799620000e+00 -1.6735280000e+00  5.1155000000e-02 -2.0077370000e+00 -3.0657000000e-01  2.1886000000e-01  1.2263960000e+00  8.2366000000e-01  2.7689000000e-01  8.3904900000e-01 -4.9739000000e-02 -4.0274900000e-01  1.9476440000e+00  7.2550500000e-01
-ENERGY -1.526580050947e+02
-FORCES  1.0004000000e-03 -5.3981000000e-03  1.9459000000e-03 -6.6400000000e-05  2.2477000000e-03  4.5787000000e-03 -1.4498000000e-03  2.7617000000e-03 -3.4399000000e-03 -3.2497000000e-03 -4.6438000000e-03 -5.8503000000e-03  1.7526000000e-03  7.7844000000e-03  2.9844000000e-03  2.0129000000e-03 -2.7519000000e-03 -2.1880000000e-04
-
-JOB 23
-COORDS  7.1604700000e-01 -1.0780060000e+00  5.9053900000e-01  7.0640700000e-01 -1.4740840000e+00  1.4618950000e+00  1.6333680000e+00 -1.1160090000e+00  3.1978200000e-01 -8.2810700000e-01  1.1354980000e+00 -6.1434900000e-01 -9.7484000000e-02  1.4227830000e+00 -1.1619700000e+00 -5.4682600000e-01  2.9083200000e-01 -2.6270700000e-01
-ENERGY -1.526602463809e+02
-FORCES  3.1160000000e-03 -3.8330000000e-04  2.7760000000e-03  1.1524000000e-03  1.3840000000e-03 -4.1362000000e-03 -4.0727000000e-03  9.6400000000e-05  1.5609000000e-03  7.0055000000e-03 -6.7061000000e-03  2.5715000000e-03 -1.9879000000e-03 -5.5650000000e-04  1.3246000000e-03 -5.2133000000e-03  6.1655000000e-03 -4.0968000000e-03
-
-JOB 24
-COORDS  1.1614400000e-01 -7.0785000000e-02  1.4729530000e+00  1.0359950000e+00 -1.9151000000e-01  1.2373010000e+00  1.1204100000e-01  7.0423100000e-01  2.0347050000e+00 -1.6331000000e-01 -2.2014000000e-02 -1.5359960000e+00 -4.7715000000e-02  8.9763000000e-01 -1.7750030000e+00 -4.0495500000e-01 -7.8200000000e-04 -6.1004300000e-01
-ENERGY -1.526605402854e+02
-FORCES  5.1180000000e-03  1.6634000000e-03  3.2334000000e-03 -5.3751000000e-03  1.6244000000e-03  1.0408000000e-03  5.2500000000e-04 -3.3482000000e-03 -3.1956000000e-03 -1.8347000000e-03  3.1801000000e-03  7.3023000000e-03  1.0400000000e-04 -3.0108000000e-03  1.1200000000e-03  1.4628000000e-03 -1.0890000000e-04 -9.5010000000e-03
-
-JOB 25
-COORDS -6.6444100000e-01 -1.0281480000e+00 -9.0985900000e-01  6.0620000000e-02 -4.8867600000e-01 -5.9444300000e-01 -2.8496000000e-01 -1.5510720000e+00 -1.6161000000e+00  6.1201400000e-01  9.7830700000e-01  8.9661500000e-01 -5.1102000000e-02  1.0418440000e+00  1.5839800000e+00  1.0663220000e+00  1.8204160000e+00  9.2285800000e-01
-ENERGY -1.526607859185e+02
-FORCES  5.3210000000e-03  3.2783000000e-03  1.5509000000e-03 -4.1446000000e-03 -6.8976000000e-03 -5.4579000000e-03 -5.8390000000e-04  2.4377000000e-03  2.5354000000e-03 -2.3189000000e-03  3.7400000000e-03  3.3922000000e-03  3.9287000000e-03  8.8980000000e-04 -2.5416000000e-03 -2.2022000000e-03 -3.4482000000e-03  5.2100000000e-04
-
-JOB 26
-COORDS -1.0665600000e+00 -6.9068400000e-01 -9.3377100000e-01 -1.3459720000e+00  9.8289000000e-02 -4.6935400000e-01 -1.1040100000e-01 -6.6448600000e-01 -8.9764600000e-01  9.7387000000e-01  6.1217600000e-01  8.9463500000e-01  1.1299680000e+00  1.5489310000e+00  7.7482000000e-01  1.8024480000e+00  2.7206700000e-01  1.2322970000e+00
-ENERGY -1.526579336187e+02
-FORCES  6.3490000000e-03  5.3125000000e-03  6.8937000000e-03 -1.8968000000e-03 -1.6916000000e-03 -3.1611000000e-03 -3.3534000000e-03 -2.9203000000e-03 -4.1710000000e-03  3.9767000000e-03  2.2175000000e-03  2.5344000000e-03 -1.3941000000e-03 -4.6061000000e-03  2.0950000000e-04 -3.6813000000e-03  1.6880000000e-03 -2.3054000000e-03
-
-JOB 27
-COORDS  8.7333600000e-01  1.2192860000e+00  1.7469400000e-01  1.0752670000e+00  1.6383490000e+00 -6.6187100000e-01  8.3702000000e-02  1.6646980000e+00  4.8180600000e-01 -9.0269500000e-01 -1.2811400000e+00 -1.3052600000e-01 -2.2600000000e-01 -8.4177600000e-01  3.8452200000e-01 -4.6429000000e-01 -1.5227860000e+00 -9.4639400000e-01
-ENERGY -1.526585810855e+02
-FORCES -3.5004000000e-03  4.2758000000e-03 -3.8404000000e-03 -7.7290000000e-04 -1.5249000000e-03  3.6175000000e-03  4.0619000000e-03 -2.6532000000e-03 -8.6330000000e-04  8.2344000000e-03  4.2768000000e-03 -1.4891000000e-03 -5.7395000000e-03 -4.4406000000e-03  5.2450000000e-04 -2.2835000000e-03  6.6100000000e-05  2.0508000000e-03
-
-JOB 28
-COORDS  3.7221600000e-01  1.1702170000e+00 -1.0036880000e+00  7.1049100000e-01  7.2985100000e-01 -2.2402100000e-01 -5.3701300000e-01  1.3767540000e+00 -7.8717800000e-01 -2.8002800000e-01 -1.1298320000e+00  9.4494800000e-01 -7.7969900000e-01 -1.3552340000e+00  1.7296480000e+00 -8.3205400000e-01 -1.4178840000e+00  2.1795100000e-01
-ENERGY -1.526589245152e+02
-FORCES -2.3678000000e-03 -3.0570000000e-03  7.6138000000e-03  7.9950000000e-04  4.3238000000e-03 -5.4729000000e-03  2.2813000000e-03 -5.1360000000e-04 -2.1959000000e-03 -4.0690000000e-03 -3.6343000000e-03 -2.7270000000e-04  1.6088000000e-03  1.1839000000e-03 -3.9826000000e-03  1.7472000000e-03  1.6972000000e-03  4.3104000000e-03
-
-JOB 29
-COORDS -4.0777000000e-01  1.4452460000e+00  4.9145900000e-01  2.5168400000e-01  1.5548230000e+00  1.1765460000e+00 -5.6319300000e-01  5.0138700000e-01  4.5672500000e-01  3.4273200000e-01 -1.3898030000e+00 -4.8915500000e-01  1.2934020000e+00 -1.4970430000e+00 -4.5818600000e-01  1.2050600000e-01 -1.4852010000e+00 -1.4153010000e+00
-ENERGY -1.526590999407e+02
-FORCES  3.2170000000e-03 -7.8023000000e-03  7.2460000000e-04 -1.8390000000e-03 -7.3000000000e-06 -2.2842000000e-03 -2.6422000000e-03  7.5784000000e-03  2.4396000000e-03  4.1392000000e-03  2.6240000000e-04 -4.9264000000e-03 -4.0647000000e-03  2.6400000000e-05 -1.6210000000e-04  1.1897000000e-03 -5.7600000000e-05  4.2086000000e-03
-
-JOB 30
-COORDS  4.4784200000e-01 -1.4574030000e+00  2.3893800000e-01  1.0243280000e+00 -1.6129620000e+00  9.8706800000e-01  1.0289930000e+00 -1.1310370000e+00 -4.4807100000e-01 -5.1128800000e-01  1.5134450000e+00 -2.2613100000e-01 -2.3866900000e-01  8.2110100000e-01  3.7600800000e-01 -6.4080500000e-01  1.0666670000e+00 -1.0626990000e+00
-ENERGY -1.526580281954e+02
-FORCES  5.9021000000e-03 -2.5758000000e-03 -4.2590000000e-04 -3.0116000000e-03  1.8366000000e-03 -3.5085000000e-03 -4.1483000000e-03 -1.0550000000e-04  3.4983000000e-03 -8.0510000000e-04 -8.7454000000e-03  3.1120000000e-04  4.3610000000e-04  7.1589000000e-03 -1.6449000000e-03  1.6268000000e-03  2.4312000000e-03  1.7697000000e-03
-
-JOB 31
-COORDS  7.4013000000e-01  1.3160960000e+00 -5.1082100000e-01  1.3629790000e+00  1.5195600000e+00  1.8695600000e-01  2.4208400000e-01  5.6958800000e-01 -1.7779200000e-01 -7.3366800000e-01 -1.2184470000e+00  4.5711300000e-01 -7.0761700000e-01 -1.8934040000e+00  1.1353360000e+00 -1.0168590000e+00 -1.6813610000e+00 -3.3139600000e-01
-ENERGY -1.526609884003e+02
-FORCES -1.6561000000e-03 -5.6579000000e-03  5.7978000000e-03 -1.7266000000e-03 -3.8870000000e-04 -2.1922000000e-03  3.6774000000e-03  7.2973000000e-03 -4.7417000000e-03 -1.1086000000e-03 -5.4959000000e-03  5.9550000000e-04 -6.9780000000e-04  2.1245000000e-03 -3.5536000000e-03  1.5117000000e-03  2.1208000000e-03  4.0943000000e-03
-
-JOB 32
-COORDS -2.1706600000e-01  2.4479300000e-01 -1.4970200000e+00  4.6285400000e-01 -2.3140900000e-01 -1.9736450000e+00 -6.3048000000e-02  1.1642650000e+00 -1.7140010000e+00  1.3686000000e-01 -2.3792500000e-01  1.5868720000e+00  6.2652600000e-01 -1.0599060000e+00  1.6152760000e+00  1.9906800000e-01  4.7097000000e-02  6.7521200000e-01
-ENERGY -1.526595811734e+02
-FORCES  1.4390000000e-03  1.8862000000e-03 -6.6358000000e-03 -2.8749000000e-03  2.3728000000e-03  3.4208000000e-03 -1.1010000000e-04 -4.9202000000e-03  1.9249000000e-03  2.0400000000e-05 -1.6731000000e-03 -7.9032000000e-03 -1.2933000000e-03  2.6986000000e-03 -2.2270000000e-04  2.8189000000e-03 -3.6420000000e-04  9.4159000000e-03
-
-JOB 33
-COORDS -2.4239300000e-01  1.0760920000e+00  1.1108170000e+00  6.7559900000e-01  1.1008560000e+00  1.3808330000e+00 -6.4801200000e-01  4.3783700000e-01  1.6976180000e+00  2.6610700000e-01 -1.0814150000e+00 -1.1448800000e+00 -1.3735300000e-01 -4.2511300000e-01 -5.7679700000e-01 -2.7731100000e-01 -1.0834300000e+00 -1.9328670000e+00
-ENERGY -1.526605527427e+02
-FORCES  3.4906000000e-03  4.0590000000e-04  6.6888000000e-03 -4.9444000000e-03 -3.4120000000e-04 -1.1251000000e-03  2.0322000000e-03  2.2662000000e-03 -4.5954000000e-03 -3.6395000000e-03  5.6753000000e-03  1.0509000000e-03  1.4568000000e-03 -8.2236000000e-03 -5.0816000000e-03  1.6044000000e-03  2.1750000000e-04  3.0624000000e-03
-
-JOB 34
-COORDS -7.0253100000e-01 -1.3162540000e+00  3.8861500000e-01 -9.3352600000e-01 -1.3113540000e+00  1.3175120000e+00 -1.5435090000e+00 -1.2928820000e+00 -6.7940000000e-02  8.0592400000e-01  1.3667780000e+00 -4.0656200000e-01  7.8082900000e-01  5.5780600000e-01  1.0448200000e-01  8.3104000000e-02  1.2805160000e+00 -1.0281110000e+00
-ENERGY -1.526586068319e+02
-FORCES -5.9873000000e-03 -1.2050000000e-03  1.8090000000e-03  1.5422000000e-03  5.2690000000e-04 -4.5244000000e-03  3.8701000000e-03  3.0970000000e-04  1.9872000000e-03 -4.9190000000e-03 -7.9478000000e-03  4.7600000000e-05  3.5066000000e-03  6.4061000000e-03 -3.0820000000e-04  1.9873000000e-03  1.9102000000e-03  9.8870000000e-04
-
-JOB 35
-COORDS  1.1856570000e+00 -4.5665000000e-02  1.0589260000e+00  2.0659190000e+00  1.2379400000e-01  7.2328600000e-01  6.6889700000e-01  7.0542100000e-01  7.6727400000e-01 -1.1400270000e+00  1.5958000000e-02 -1.0301920000e+00 -1.5217480000e+00 -7.3279500000e-01 -1.4883300000e+00 -1.8514050000e+00  3.5172600000e-01 -4.8481800000e-01
-ENERGY -1.526544000323e+02
-FORCES -1.2299000000e-03  3.1868000000e-03 -6.2643000000e-03 -3.0623000000e-03 -8.5310000000e-04  1.4063000000e-03  2.7233000000e-03 -7.4810000000e-04  4.4859000000e-03 -3.4648000000e-03 -4.6348000000e-03  7.2390000000e-04  9.3390000000e-04  3.4727000000e-03  1.3965000000e-03  4.0998000000e-03 -4.2350000000e-04 -1.7484000000e-03
-
-JOB 36
-COORDS  9.0803500000e-01 -3.8943500000e-01 -1.3009830000e+00  1.4710610000e+00  3.0573000000e-01 -9.6042700000e-01  6.5833000000e-02  3.8205000000e-02 -1.4560660000e+00 -8.8136800000e-01  3.3682400000e-01  1.3586380000e+00 -9.9910700000e-01 -5.1457600000e-01  9.3734600000e-01 -9.6868400000e-01  9.7089100000e-01  6.4690300000e-01
-ENERGY -1.526532203034e+02
-FORCES  4.1090000000e-04  5.2353000000e-03  1.9661000000e-03 -2.6428000000e-03 -2.6871000000e-03 -2.5874000000e-03  2.0053000000e-03 -1.7764000000e-03  2.3705000000e-03  7.2120000000e-04 -2.9012000000e-03 -5.1696000000e-03 -1.4640000000e-03  4.4010000000e-03  2.0495000000e-03  9.6940000000e-04 -2.2717000000e-03  1.3709000000e-03
-
-JOB 37
-COORDS  2.0426500000e-01 -1.1947100000e+00 -9.9387300000e-01  1.0082040000e+00 -1.7133580000e+00 -1.0241550000e+00 -4.9954900000e-01 -1.8433750000e+00 -9.8328600000e-01 -2.4653200000e-01  1.2731940000e+00  1.0556880000e+00 -1.2263500000e-01  1.7972150000e+00  2.6430800000e-01  2.2732600000e-01  4.5993100000e-01  8.8163600000e-01
-ENERGY -1.526586687142e+02
-FORCES -1.4631000000e-03 -6.0057000000e-03 -2.0275000000e-03 -3.6379000000e-03  2.9024000000e-03  1.0357000000e-03  3.8277000000e-03  2.4345000000e-03 -2.9500000000e-04  2.2553000000e-03 -4.1025000000e-03 -7.1835000000e-03 -5.1750000000e-04 -2.1270000000e-04  3.4909000000e-03 -4.6450000000e-04  4.9840000000e-03  4.9795000000e-03
-
-JOB 38
-COORDS  1.5307550000e+00  3.2951100000e-01  2.2384200000e-01  1.3293980000e+00  1.2000120000e+00 -1.1954400000e-01  2.4432450000e+00  1.7925100000e-01 -2.3172000000e-02 -1.6231850000e+00 -3.9285200000e-01 -1.6626900000e-01 -8.8781600000e-01 -3.9400000000e-03  3.0724100000e-01 -1.3557550000e+00 -3.7050700000e-01 -1.0850800000e+00
-ENERGY -1.526571811535e+02
-FORCES  5.8063000000e-03  1.7678000000e-03 -1.9367000000e-03 -1.0272000000e-03 -4.9914000000e-03  1.5066000000e-03 -3.8769000000e-03  1.4463000000e-03  7.1700000000e-04  7.5681000000e-03 -8.5600000000e-05 -1.0290000000e-03 -6.3555000000e-03  1.2946000000e-03 -1.8376000000e-03 -2.1149000000e-03  5.6840000000e-04  2.5796000000e-03
-
-JOB 39
-COORDS -1.3714850000e+00  9.0977400000e-01 -4.0237800000e-01 -9.3953300000e-01  9.7728000000e-02 -6.6738800000e-01 -7.2932200000e-01  1.3534090000e+00  1.5174000000e-01  1.2485250000e+00 -8.9611100000e-01  3.6221900000e-01  2.0463690000e+00 -8.6774400000e-01 -1.6586500000e-01  1.5507940000e+00 -7.6505000000e-01  1.2609340000e+00
-ENERGY -1.526584170223e+02
-FORCES  7.3712000000e-03 -4.0241000000e-03  2.2905000000e-03 -4.6932000000e-03  3.7803000000e-03 -1.6861000000e-03 -3.3099000000e-03  7.3760000000e-04 -1.3393000000e-03  5.4552000000e-03 -6.9580000000e-04  2.5642000000e-03 -3.8096000000e-03  1.7730000000e-04  2.4396000000e-03 -1.0138000000e-03  2.4700000000e-05 -4.2689000000e-03
-
-JOB 40
-COORDS  5.0760500000e-01  2.9009300000e-01  1.4653820000e+00  1.2760840000e+00  6.8664300000e-01  1.8757730000e+00 -2.0971100000e-01  4.7285100000e-01  2.0722510000e+00 -5.5952200000e-01 -3.4098300000e-01 -1.5688600000e+00 -5.9360000000e-01  3.8227900000e-01 -9.4279000000e-01  2.7997200000e-01 -7.6762000000e-01 -1.3972130000e+00
-ENERGY -1.526581677178e+02
-FORCES  4.7870000000e-04  1.6046000000e-03  5.9864000000e-03 -3.5039000000e-03 -1.9112000000e-03 -1.8646000000e-03  3.3385000000e-03 -1.1800000000e-04 -3.0893000000e-03  4.9491000000e-03  1.2604000000e-03  7.0274000000e-03 -2.5817000000e-03 -1.4125000000e-03 -4.9715000000e-03 -2.6807000000e-03  5.7670000000e-04 -3.0884000000e-03
-
-JOB 41
-COORDS  2.3205900000e-01 -5.0647000000e-01  1.5187170000e+00  1.1262110000e+00 -3.0918600000e-01  1.7976490000e+00 -3.0916200000e-01  1.3865600000e-01  1.9738260000e+00 -3.0245500000e-01  4.4198300000e-01 -1.5639050000e+00  1.8001200000e-01  1.0812340000e+00 -2.0881340000e+00  2.6864900000e-01  2.6449600000e-01 -8.1652900000e-01
-ENERGY -1.526579696421e+02
-FORCES -6.9520000000e-04  2.0303000000e-03  6.6287000000e-03 -4.0936000000e-03 -1.3740000000e-04 -3.0172000000e-03  3.3640000000e-03 -2.8735000000e-03 -1.9440000000e-03  3.7569000000e-03 -4.0220000000e-04  3.3253000000e-03 -1.4957000000e-03 -2.3496000000e-03  2.6910000000e-03 -8.3650000000e-04  3.7324000000e-03 -7.6838000000e-03
-
-JOB 42
-COORDS  1.4018450000e+00 -8.0644400000e-01 -5.4549500000e-01  6.4847100000e-01 -4.6011700000e-01 -6.7252000000e-02  1.4586350000e+00 -2.6193600000e-01 -1.3306820000e+00 -1.3763440000e+00  6.9511900000e-01  5.4038500000e-01 -1.1581020000e+00  1.4800550000e+00  3.7913000000e-02 -1.3930510000e+00  9.8996200000e-01  1.4508900000e+00
-ENERGY -1.526588612894e+02
-FORCES -5.8876000000e-03  3.4253000000e-03 -1.4110000000e-04  8.0587000000e-03 -2.2379000000e-03 -3.1025000000e-03 -4.7600000000e-05 -1.3945000000e-03  2.7766000000e-03 -2.9674000000e-03  6.1232000000e-03  3.0013000000e-03  4.4500000000e-04 -4.6295000000e-03  2.0673000000e-03  3.9890000000e-04 -1.2867000000e-03 -4.6016000000e-03
-
-JOB 43
-COORDS -9.6926200000e-01  3.9783000000e-01  1.2588300000e+00 -1.7123850000e+00  8.8167200000e-01  1.6192420000e+00 -3.4201100000e-01  1.0750740000e+00  1.0055920000e+00  1.0132300000e+00 -4.8327500000e-01 -1.2138440000e+00  1.2271230000e+00  8.9635000000e-02 -1.9502240000e+00  1.0812200000e-01 -7.5096800000e-01 -1.3730610000e+00
-ENERGY -1.526561773164e+02
-FORCES  1.6726000000e-03  4.6753000000e-03  9.0350000000e-04  3.1491000000e-03 -2.0153000000e-03 -2.0218000000e-03 -4.5665000000e-03 -1.4217000000e-03  2.0653000000e-03 -4.0778000000e-03 -7.8620000000e-04 -3.2365000000e-03 -1.0803000000e-03 -1.6401000000e-03  3.6549000000e-03  4.9030000000e-03  1.1880000000e-03 -1.3656000000e-03
-
-JOB 44
-COORDS  5.3671300000e-01 -4.9241700000e-01 -1.4537630000e+00  1.0623920000e+00 -1.0612910000e+00 -8.9137900000e-01  1.0968730000e+00 -3.1888300000e-01 -2.2102940000e+00 -6.1677300000e-01  4.6151600000e-01  1.4835530000e+00 -1.0385700000e+00  1.3032270000e+00  1.6562990000e+00  1.2540300000e-01  6.7647100000e-01  9.1857400000e-01
-ENERGY -1.526559020287e+02
-FORCES  3.6150000000e-03 -4.0215000000e-03 -2.4188000000e-03 -1.7629000000e-03  4.3304000000e-03 -2.0449000000e-03 -2.6225000000e-03 -5.5270000000e-04  3.5798000000e-03  7.1970000000e-04  4.1786000000e-03 -4.5648000000e-03  1.6373000000e-03 -3.0544000000e-03 -4.1360000000e-04 -1.5866000000e-03 -8.8040000000e-04  5.8624000000e-03
-
-JOB 45
-COORDS -3.8409900000e-01  1.4014730000e+00  6.9753500000e-01  2.0550800000e-01  1.6507280000e+00  1.4092000000e+00 -1.1014820000e+00  2.0331870000e+00  7.4784000000e-01  4.1683200000e-01 -1.4312080000e+00 -6.9440100000e-01  3.0208000000e-01 -2.3436290000e+00 -9.6001500000e-01  6.9650000000e-03 -9.2393000000e-01 -1.3950510000e+00
-ENERGY -1.526536670279e+02
-FORCES  6.5150000000e-04  2.6238000000e-03  4.4613000000e-03 -2.8417000000e-03 -1.9880000000e-04 -2.8144000000e-03  2.8656000000e-03 -3.0649000000e-03 -7.9810000000e-04 -3.0688000000e-03  6.3410000000e-04 -3.6179000000e-03  3.5700000000e-04  3.8309000000e-03  1.4984000000e-03  2.0365000000e-03 -3.8252000000e-03  1.2708000000e-03
-
-JOB 46
-COORDS -5.1199800000e-01  1.6772710000e+00  1.2358800000e-01 -8.6672300000e-01  9.7500700000e-01 -4.2159800000e-01 -2.6425700000e-01  1.2448160000e+00  9.4080200000e-01  5.1892200000e-01 -1.6743470000e+00 -1.2669000000e-01  9.5404500000e-01 -9.5049100000e-01  3.2379100000e-01  4.7247000000e-02 -1.2588950000e+00 -8.4860000000e-01
-ENERGY -1.526530820745e+02
-FORCES -2.6412000000e-03 -3.9885000000e-03  2.3169000000e-03  3.2342000000e-03  1.8910000000e-03  1.0689000000e-03  7.0390000000e-04  1.4431000000e-03 -4.3679000000e-03  1.9566000000e-03  4.2445000000e-03 -2.4263000000e-03 -3.4702000000e-03 -2.9808000000e-03 -5.8200000000e-04  2.1670000000e-04 -6.0930000000e-04  3.9903000000e-03
-
-JOB 47
-COORDS  1.5070730000e+00  5.4289900000e-01 -6.6982700000e-01  1.5922940000e+00  5.0819100000e-01  2.8293900000e-01  7.9114800000e-01  1.1591590000e+00 -8.2444500000e-01 -1.4295860000e+00 -5.9316000000e-01  6.7607100000e-01 -2.1265350000e+00 -1.1093370000e+00  2.7103300000e-01 -1.4138940000e+00  2.2296800000e-01  1.7615000000e-01
-ENERGY -1.526530025922e+02
-FORCES -2.7136000000e-03  5.9840000000e-04  4.5904000000e-03  4.8880000000e-04  1.4807000000e-03 -4.4731000000e-03  1.2545000000e-03 -2.5843000000e-03  6.2290000000e-04 -2.4546000000e-03 -1.2340000000e-04 -4.9465000000e-03  2.7221000000e-03  2.3569000000e-03  1.8114000000e-03  7.0280000000e-04 -1.7284000000e-03  2.3948000000e-03
-
-JOB 48
-COORDS  2.5335500000e-01  9.9154200000e-01  1.3812710000e+00  9.5730700000e-01  1.6232810000e+00  1.5282010000e+00  1.9907400000e-01  9.0985900000e-01  4.2910800000e-01 -2.3327700000e-01 -9.6775700000e-01 -1.3629080000e+00 -3.0440000000e-01 -1.5097220000e+00 -5.7713000000e-01 -9.9202800000e-01 -1.2124330000e+00 -1.8926840000e+00
-ENERGY -1.526591696733e+02
-FORCES  2.3877000000e-03  2.1735000000e-03 -4.6613000000e-03 -2.6801000000e-03 -2.2760000000e-03 -6.7050000000e-04  8.1610000000e-04  1.7318000000e-03  7.2688000000e-03 -3.9247000000e-03 -5.2943000000e-03  2.4300000000e-05  1.2220000000e-04  3.0272000000e-03 -4.2736000000e-03  3.2788000000e-03  6.3770000000e-04  2.3124000000e-03
-
-JOB 49
-COORDS -4.4286000000e-02 -1.5808900000e-01  1.7340480000e+00 -6.4068200000e-01 -9.0586300000e-01  1.6969140000e+00 -5.3678300000e-01  5.6151300000e-01  1.3392690000e+00  1.4379000000e-01  2.0701300000e-01 -1.6722970000e+00 -4.6469300000e-01 -4.4953300000e-01 -1.3332860000e+00  2.1774700000e-01  6.5700000000e-03 -2.6053480000e+00
-ENERGY -1.526536329993e+02
-FORCES -3.2435000000e-03  1.4468000000e-03 -1.6086000000e-03  2.4410000000e-03  2.9281000000e-03 -1.1167000000e-03  1.0159000000e-03 -4.1371000000e-03  2.4295000000e-03 -9.4000000000e-04 -4.2509000000e-03 -2.3100000000e-03  9.5140000000e-04  3.3643000000e-03 -1.5390000000e-03 -2.2490000000e-04  6.4880000000e-04  4.1447000000e-03
-
-JOB 50
-COORDS -1.3218840000e+00 -9.2006000000e-02  1.2291330000e+00 -1.1290400000e+00  6.6725100000e-01  6.7906800000e-01 -1.8560620000e+00 -6.6064700000e-01  6.7457600000e-01  1.3900320000e+00  5.4617000000e-02 -1.1800840000e+00  5.1323000000e-01 -2.5095500000e-01 -1.4126280000e+00  1.2534390000e+00  9.3823200000e-01 -8.3832800000e-01
-ENERGY -1.526519489994e+02
-FORCES -1.3882000000e-03  3.0670000000e-04 -3.5671000000e-03 -1.6820000000e-04 -3.0766000000e-03  1.2147000000e-03  2.7451000000e-03  2.7043000000e-03  1.7871000000e-03 -3.6549000000e-03  1.4621000000e-03  1.6947000000e-03  2.9278000000e-03  2.0216000000e-03  5.0010000000e-04 -4.6160000000e-04 -3.4181000000e-03 -1.6295000000e-03
-
-JOB 51
-COORDS -7.0385500000e-01 -1.5666520000e+00 -4.0010400000e-01  2.2303400000e-01 -1.7710060000e+00 -5.2398700000e-01 -1.1601880000e+00 -2.1377110000e+00 -1.0180720000e+00  6.1476200000e-01  1.6001290000e+00  4.0666000000e-01  9.6271400000e-01  1.1313750000e+00  1.1652310000e+00  1.2338770000e+00  2.3156760000e+00  2.6201700000e-01
-ENERGY -1.526529850560e+02
-FORCES  2.1190000000e-03 -1.9138000000e-03 -3.8467000000e-03 -3.6481000000e-03 -8.2900000000e-05  1.2456000000e-03  1.8211000000e-03  2.3634000000e-03  2.5301000000e-03  2.9863000000e-03  7.6410000000e-04  3.2306000000e-03 -5.5850000000e-04  2.0826000000e-03 -3.4057000000e-03 -2.7198000000e-03 -3.2134000000e-03  2.4590000000e-04
-
-JOB 52
-COORDS -9.8918000000e-01 -1.5180560000e+00  3.3261000000e-02 -2.8636900000e-01 -1.2538340000e+00 -5.6043600000e-01 -1.5194790000e+00 -2.1283240000e+00 -4.7917300000e-01  1.0035520000e+00  1.4996900000e+00  4.5200000000e-04  6.5298000000e-02  1.6559960000e+00  1.0759700000e-01  1.4203400000e+00  2.1266830000e+00  5.9155200000e-01
-ENERGY -1.526568130887e+02
-FORCES  2.0472000000e-03 -1.8276000000e-03 -4.3588000000e-03 -4.8586000000e-03 -2.0085000000e-03  1.9855000000e-03  2.1648000000e-03  2.5617000000e-03  2.0328000000e-03 -2.1639000000e-03  3.4808000000e-03  4.0971000000e-03  4.6225000000e-03 -6.1200000000e-05 -1.2899000000e-03 -1.8120000000e-03 -2.1453000000e-03 -2.4667000000e-03
-
-JOB 53
-COORDS  4.8083100000e-01 -3.6661900000e-01  1.7296650000e+00  1.0790490000e+00 -1.1131630000e+00  1.7619220000e+00  1.0001830000e+00  3.4073300000e-01  1.3473590000e+00 -6.0527800000e-01  3.4179100000e-01 -1.7198570000e+00 -4.2250000000e-02  8.0952300000e-01 -2.3366700000e+00 -8.6539000000e-02  2.8438700000e-01 -9.1745600000e-01
-ENERGY -1.526544370938e+02
-FORCES  5.1714000000e-03 -1.1810000000e-03  1.9017000000e-03 -2.6469000000e-03  3.7550000000e-03 -3.4530000000e-04 -3.5409000000e-03 -3.6319000000e-03 -1.0656000000e-03  3.2809000000e-03  7.4200000000e-04  1.7678000000e-03 -1.9660000000e-03 -1.9384000000e-03  3.0032000000e-03 -2.9850000000e-04  2.2543000000e-03 -5.2618000000e-03
-
-JOB 54
-COORDS  1.3250900000e-01  6.4177900000e-01  1.7061530000e+00  7.8180000000e-01  6.9517000000e-02  1.2972900000e+00  4.1531000000e-01  7.1266900000e-01  2.6178710000e+00 -1.6633400000e-01 -6.6996800000e-01 -1.7392270000e+00  1.6515300000e-01  7.1206000000e-02 -2.2461880000e+00 -8.6026600000e-01 -2.9745700000e-01 -1.1952370000e+00
-ENERGY -1.526573399985e+02
-FORCES  4.2294000000e-03 -2.3896000000e-03  2.4788000000e-03 -2.9712000000e-03  3.2653000000e-03  2.8316000000e-03 -8.5460000000e-04 -3.7050000000e-04 -3.7385000000e-03 -2.8393000000e-03  5.0276000000e-03 -2.8690000000e-04 -9.9310000000e-04 -3.2138000000e-03  2.0011000000e-03  3.4289000000e-03 -2.3189000000e-03 -3.2861000000e-03
-
-JOB 55
-COORDS -1.2268270000e+00  4.5719400000e-01 -1.3221070000e+00 -1.7028010000e+00  6.9275100000e-01 -5.2574500000e-01 -1.8849520000e+00  4.9793900000e-01 -2.0159680000e+00  1.2972980000e+00 -4.4437500000e-01  1.3628860000e+00  1.7191930000e+00 -1.2456970000e+00  1.0528540000e+00  6.4525400000e-01 -2.4149000000e-01  6.9213500000e-01
-ENERGY -1.526568250683e+02
-FORCES -6.0214000000e-03  1.8319000000e-03 -1.6459000000e-03  3.3230000000e-03 -1.7992000000e-03 -3.0262000000e-03  2.4233000000e-03  7.7800000000e-05  3.1007000000e-03 -8.5590000000e-04 -2.3344000000e-03 -5.6470000000e-03 -1.3089000000e-03  2.8881000000e-03  1.6879000000e-03  2.4399000000e-03 -6.6430000000e-04  5.5305000000e-03
-
-JOB 56
-COORDS -6.8691800000e-01  1.5074580000e+00 -1.0164710000e+00 -1.1615950000e+00  7.1830900000e-01 -7.5540300000e-01 -3.2457800000e-01  1.2959760000e+00 -1.8768300000e+00  6.6847000000e-01 -1.4148260000e+00  1.0883410000e+00  1.4974410000e+00 -1.8896770000e+00  1.1479600000e+00  2.6758100000e-01 -1.7324960000e+00  2.7926400000e-01
-ENERGY -1.526528006386e+02
-FORCES -1.0000000000e-06 -4.0021000000e-03 -1.1579000000e-03  1.5730000000e-03  2.6919000000e-03 -2.2486000000e-03 -1.5162000000e-03  5.4360000000e-04  3.4595000000e-03  2.8510000000e-03 -3.0282000000e-03 -2.7128000000e-03 -3.5579000000e-03  1.8602000000e-03 -2.6360000000e-04  6.5110000000e-04  1.9347000000e-03  2.9234000000e-03
-
-JOB 57
-COORDS  6.5409600000e-01  1.8186270000e+00  1.3372500000e-01  2.8400000000e-01  1.9979340000e+00 -7.3063000000e-01  1.5169080000e+00  1.4457730000e+00 -4.7292000000e-02 -7.0188400000e-01 -1.7782620000e+00 -1.1721300000e-01  1.3725000000e-01 -1.6150470000e+00  3.1342300000e-01 -1.0921270000e+00 -2.4958750000e+00  3.8175900000e-01
-ENERGY -1.526543462688e+02
-FORCES  8.3810000000e-04 -4.8660000000e-04 -5.1005000000e-03  2.1645000000e-03  1.9100000000e-05  3.6139000000e-03 -3.5087000000e-03  7.2890000000e-04  1.2827000000e-03  1.6001000000e-03 -1.2359000000e-03  4.7000000000e-03 -2.6787000000e-03 -1.8667000000e-03 -2.4186000000e-03  1.5847000000e-03  2.8413000000e-03 -2.0775000000e-03
-
-JOB 58
-COORDS -8.0145500000e-01  1.2415610000e+00 -1.2803660000e+00  8.7280000000e-02  1.4056040000e+00 -9.6497600000e-01 -1.0000820000e+00  1.9925650000e+00 -1.8396280000e+00  7.2739200000e-01 -1.3040850000e+00  1.3362940000e+00  1.6354700000e+00 -1.5765380000e+00  1.2044060000e+00  5.7867400000e-01 -6.3377200000e-01  6.6936500000e-01
-ENERGY -1.526536382293e+02
-FORCES  1.6602000000e-03  5.3708000000e-03 -2.1241000000e-03 -3.3964000000e-03 -2.8665000000e-03 -1.8960000000e-04  9.0720000000e-04 -3.2227000000e-03  2.3290000000e-03  1.9328000000e-03  9.9910000000e-04 -3.7080000000e-03 -3.6960000000e-03  1.4437000000e-03  5.2360000000e-04  2.5922000000e-03 -1.7244000000e-03  3.1693000000e-03
-
-JOB 59
-COORDS -1.6970640000e+00  2.3660900000e-01 -1.0622460000e+00 -1.4034050000e+00 -1.5593300000e-01 -1.8843810000e+00 -1.3437950000e+00 -3.3739800000e-01 -3.8257800000e-01  1.6021060000e+00 -2.0905600000e-01  1.0440180000e+00  2.1994610000e+00 -5.9897100000e-01  1.6822690000e+00  1.9718630000e+00  6.5578900000e-01  8.6638200000e-01
-ENERGY -1.526565100087e+02
-FORCES  3.7677000000e-03 -4.2996000000e-03  4.0690000000e-04 -1.4354000000e-03  1.6919000000e-03  2.7867000000e-03 -3.4204000000e-03  2.2174000000e-03 -3.6485000000e-03  4.5315000000e-03  2.6693000000e-03  2.1707000000e-03 -2.4249000000e-03  1.6727000000e-03 -2.7049000000e-03 -1.0185000000e-03 -3.9517000000e-03  9.8910000000e-04
-
-JOB 60
-COORDS  8.2660100000e-01  9.6422500000e-01 -1.5214830000e+00  1.5487380000e+00  9.1430400000e-01 -8.9517800000e-01  7.4441000000e-01  1.8971830000e+00 -1.7191320000e+00 -8.7476100000e-01 -1.0798660000e+00  1.5378180000e+00 -1.3704070000e+00 -2.6222400000e-01  1.5828650000e+00 -2.0294600000e-01 -9.1708900000e-01  8.7570000000e-01
-ENERGY -1.526555573446e+02
-FORCES  3.3791000000e-03  4.8357000000e-03 -9.0000000000e-05 -4.1706000000e-03 -5.5210000000e-04 -1.8379000000e-03  4.2970000000e-04 -4.0374000000e-03  9.8550000000e-04  1.8400000000e-04  4.2244000000e-03 -4.1774000000e-03  1.8303000000e-03 -3.2108000000e-03  7.1970000000e-04 -1.6524000000e-03 -1.2598000000e-03  4.4001000000e-03
-
-JOB 61
-COORDS -3.3005100000e-01 -1.7907750000e+00  7.2409400000e-01 -8.5123300000e-01 -2.3088520000e+00  1.1074500000e-01 -5.7243600000e-01 -2.1256360000e+00  1.5874300000e+00  3.9793900000e-01  1.8689710000e+00 -7.8910400000e-01 -3.8879200000e-01  2.1118700000e+00 -3.0096000000e-01  7.3768100000e-01  1.1008750000e+00 -3.2993600000e-01
-ENERGY -1.526567678945e+02
-FORCES -3.3881000000e-03 -4.7177000000e-03  8.9410000000e-04  2.0949000000e-03  2.0478000000e-03  2.9510000000e-03  8.7110000000e-04  1.5026000000e-03 -3.6753000000e-03 -1.9698000000e-03 -3.6830000000e-03  4.4004000000e-03  2.8424000000e-03 -1.2270000000e-04 -2.0703000000e-03 -4.5050000000e-04  4.9730000000e-03 -2.4998000000e-03
-
-JOB 62
-COORDS -9.4589500000e-01 -4.3457900000e-01  1.8540770000e+00 -1.2347110000e+00 -1.0960700000e-01  2.7068440000e+00 -1.7206560000e+00 -8.5708400000e-01  1.4833120000e+00  1.0602030000e+00  4.3371400000e-01 -1.8672150000e+00  4.1584900000e-01  9.4183600000e-01 -1.3744150000e+00  5.5532100000e-01  2.0906000000e-02 -2.5678690000e+00
-ENERGY -1.526542829616e+02
-FORCES -4.1114000000e-03 -1.1092000000e-03  2.7527000000e-03  1.1496000000e-03 -1.3064000000e-03 -3.6883000000e-03  3.1548000000e-03  2.1589000000e-03  1.1902000000e-03 -4.7371000000e-03  2.0530000000e-04  4.7130000000e-04  2.6189000000e-03 -1.5381000000e-03 -3.3866000000e-03  1.9252000000e-03  1.5895000000e-03  2.6606000000e-03
-
-JOB 63
-COORDS  8.0728300000e-01  1.3699280000e+00 -1.4779760000e+00  4.1138500000e-01  1.1340670000e+00 -2.3169440000e+00  1.5287700000e+00  7.5015800000e-01 -1.3703920000e+00 -7.7384700000e-01 -1.2910230000e+00  1.5566110000e+00 -1.6386950000e+00 -1.5735330000e+00  1.8540290000e+00 -7.5449100000e-01 -1.5163380000e+00  6.2650900000e-01
-ENERGY -1.526536325385e+02
-FORCES  1.9485000000e-03 -2.7884000000e-03 -2.6343000000e-03  1.3629000000e-03  6.0120000000e-04  3.6966000000e-03 -3.3187000000e-03  2.2851000000e-03 -8.3050000000e-04 -3.6969000000e-03 -1.1312000000e-03 -2.8395000000e-03  3.5270000000e-03  1.0244000000e-03 -1.1897000000e-03  1.7720000000e-04  8.9000000000e-06  3.7975000000e-03
-
-JOB 64
-COORDS -2.1372400000e+00 -4.7106300000e-01  2.2951000000e-02 -2.1887500000e+00  3.9007700000e-01  4.3770100000e-01 -1.9144410000e+00 -1.0683790000e+00  7.3695800000e-01  2.1484530000e+00  3.9841400000e-01 -7.5583000000e-02  1.2624880000e+00  6.7987400000e-01 -3.0378700000e-01  2.6330780000e+00  1.2134940000e+00  5.4861000000e-02
-ENERGY -1.526549619291e+02
-FORCES -3.7750000000e-04 -1.8300000000e-05  5.1115000000e-03  1.0483000000e-03 -3.2808000000e-03 -2.1700000000e-03 -1.1326000000e-03  2.8429000000e-03 -3.0833000000e-03 -1.8570000000e-03  4.0890000000e-03 -1.2384000000e-03  4.4376000000e-03 -3.6910000000e-04  1.7587000000e-03 -2.1188000000e-03 -3.2637000000e-03 -3.7840000000e-04
-
-JOB 65
-COORDS  1.6771290000e+00 -1.6424380000e+00  4.5494100000e-01  7.2091200000e-01 -1.6029040000e+00  4.7275500000e-01  1.9350390000e+00 -9.4389400000e-01 -1.4651600000e-01 -1.6058830000e+00  1.6553050000e+00 -3.9267800000e-01 -1.8697210000e+00  8.0873900000e-01 -3.2196000000e-02 -1.8961890000e+00  1.6288990000e+00 -1.3044110000e+00
-ENERGY -1.526540550257e+02
-FORCES -2.5689000000e-03  3.7571000000e-03 -2.2733000000e-03  3.3305000000e-03 -5.1800000000e-04 -9.4100000000e-05 -8.9910000000e-04 -3.4292000000e-03  2.3183000000e-03 -3.3694000000e-03 -2.6878000000e-03 -2.2270000000e-03  1.9934000000e-03  2.9842000000e-03 -1.6425000000e-03  1.5136000000e-03 -1.0630000000e-04  3.9186000000e-03
-
-JOB 66
-COORDS  1.7551530000e+00  9.6212000000e-01  1.3018140000e+00  1.2192000000e+00  1.6907500000e-01  1.3100240000e+00  2.4426690000e+00  7.9381900000e-01  1.9461960000e+00 -1.8264180000e+00 -9.0709400000e-01 -1.3109570000e+00 -1.5308570000e+00 -1.3491550000e+00 -2.1068580000e+00 -1.0273100000e+00 -5.4879600000e-01 -9.2458900000e-01
-ENERGY -1.526539670560e+02
-FORCES  1.1131000000e-03 -3.6516000000e-03  3.7126000000e-03  1.7847000000e-03  3.2512000000e-03 -1.2959000000e-03 -2.8611000000e-03  7.1470000000e-04 -2.7499000000e-03  4.3823000000e-03  2.7070000000e-04 -2.3782000000e-03 -1.2733000000e-03  1.6616000000e-03  3.4000000000e-03 -3.1458000000e-03 -2.2465000000e-03 -6.8850000000e-04
-
-JOB 67
-COORDS -1.5600660000e+00  1.6938320000e+00  8.9684600000e-01 -1.6215760000e+00  1.2739410000e+00  3.8860000000e-02 -2.1072000000e+00  2.4755970000e+00  8.2121900000e-01  1.5712620000e+00 -1.7025490000e+00 -8.9693900000e-01  1.8929740000e+00 -2.5750020000e+00 -6.6987300000e-01  1.7500790000e+00 -1.1713630000e+00 -1.2099000000e-01
-ENERGY -1.526551370315e+02
-FORCES -2.6578000000e-03  1.3762000000e-03 -4.0666000000e-03  1.9020000000e-04  2.0621000000e-03  3.8335000000e-03  2.1766000000e-03 -3.1442000000e-03  3.2470000000e-04  2.1945000000e-03 -1.3977000000e-03  4.4055000000e-03 -1.2456000000e-03  3.5019000000e-03 -9.7170000000e-04 -6.5780000000e-04 -2.3982000000e-03 -3.5254000000e-03
-
-JOB 68
-COORDS  1.3470360000e+00  1.7693020000e+00  9.7085000000e-01  2.2814140000e+00  1.7575410000e+00  1.1782900000e+00  1.1891000000e+00  2.6476190000e+00  6.2466100000e-01 -1.4098730000e+00 -1.8696930000e+00 -9.0920200000e-01 -1.9222210000e+00 -1.7290630000e+00 -1.7054150000e+00 -6.6766400000e-01 -1.2710180000e+00 -9.9254900000e-01
-ENERGY -1.526547563972e+02
-FORCES  3.3166000000e-03  3.8984000000e-03  1.9460000000e-04 -3.8950000000e-03  7.0400000000e-05 -1.0432000000e-03  6.6280000000e-04 -3.7684000000e-03  1.1890000000e-03  1.3327000000e-03  3.5553000000e-03 -2.9425000000e-03  1.9736000000e-03 -6.0290000000e-04  3.0887000000e-03 -3.3908000000e-03 -3.1529000000e-03 -4.8660000000e-04
-
-JOB 69
-COORDS  1.5721500000e+00 -1.9771040000e+00 -2.8460700000e-01  6.5567900000e-01 -2.1671820000e+00 -8.4146000000e-02  1.5780520000e+00 -1.7862160000e+00 -1.2225610000e+00 -1.4892280000e+00  2.0329680000e+00  3.2294600000e-01 -2.3521740000e+00  1.7592430000e+00  1.2094000000e-02 -1.1278590000e+00  1.2535690000e+00  7.4506100000e-01
-ENERGY -1.526539239820e+02
-FORCES -3.1767000000e-03 -2.8880000000e-04 -3.5231000000e-03  3.4748000000e-03  1.3057000000e-03 -4.9330000000e-04 -1.6380000000e-04 -9.4330000000e-04  4.0277000000e-03 -1.7918000000e-03 -3.9520000000e-03  8.6590000000e-04  3.6567000000e-03  8.9690000000e-04  1.1479000000e-03 -1.9992000000e-03  2.9815000000e-03 -2.0251000000e-03
-
-JOB 70
-COORDS  1.0607600000e-01  2.4432130000e+00 -6.8882500000e-01  4.8658900000e-01  2.0833360000e+00 -1.4900310000e+00 -3.1690000000e-01  3.2553180000e+00 -9.6776700000e-01 -1.2041700000e-01 -2.4353310000e+00  8.0209300000e-01 -6.0411000000e-01 -2.5750940000e+00 -1.1995000000e-02  6.8231800000e-01 -2.9455880000e+00  6.9492200000e-01
-ENERGY -1.526533669015e+02
-FORCES -1.2900000000e-04  1.6917000000e-03 -4.1842000000e-03 -1.5804000000e-03  1.4853000000e-03  3.1084000000e-03  1.7211000000e-03 -3.3575000000e-03  1.1445000000e-03  1.2238000000e-03 -2.2207000000e-03 -3.6638000000e-03  2.0342000000e-03  3.6110000000e-04  3.2160000000e-03 -3.2696000000e-03  2.0401000000e-03  3.7920000000e-04
-
-JOB 71
-COORDS  1.4193100000e-01  1.4392460000e+00  2.1189710000e+00  9.5964700000e-01  1.8190570000e+00  2.4403990000e+00 -2.5238200000e-01  1.0310550000e+00  2.8897700000e+00 -2.0982700000e-01 -1.4471900000e+00 -2.1944850000e+00 -3.3255000000e-02 -7.2494200000e-01 -1.5916480000e+00  6.0045000000e-01 -1.9567200000e+00 -2.2024140000e+00
-ENERGY -1.526550962196e+02
-FORCES  1.3936000000e-03  2.2550000000e-04  5.0123000000e-03 -3.2989000000e-03 -1.7180000000e-03 -1.4562000000e-03  1.8031000000e-03  1.6940000000e-03 -3.1921000000e-03  3.8503000000e-03  1.3430000000e-03  2.9026000000e-03 -5.7430000000e-04 -3.4270000000e-03 -3.1847000000e-03 -3.1737000000e-03  1.8824000000e-03 -8.2000000000e-05
-
-JOB 72
-COORDS -1.3110990000e+00  1.9517560000e+00  1.4668960000e+00 -2.1100720000e+00  1.4699180000e+00  1.2531040000e+00 -7.0262300000e-01  1.7326560000e+00  7.6121600000e-01  1.3422410000e+00 -1.8493870000e+00 -1.3892900000e+00  1.9048140000e+00 -2.4715380000e+00 -1.8504530000e+00  4.8000000000e-01 -2.2649880000e+00 -1.3823330000e+00
-ENERGY -1.526545206111e+02
-FORCES -2.6020000000e-04 -2.9558000000e-03 -3.8596000000e-03  3.0638000000e-03  1.8781000000e-03  8.8130000000e-04 -2.9832000000e-03  1.1646000000e-03  3.0123000000e-03 -7.2910000000e-04 -4.6613000000e-03 -1.9110000000e-03 -2.4155000000e-03  2.5145000000e-03  1.8629000000e-03  3.3242000000e-03  2.0598000000e-03  1.4100000000e-05
-
-JOB 73
-COORDS  1.2681750000e+00  2.5244140000e+00 -3.0142100000e-01  1.6663540000e+00  2.7569440000e+00 -1.1402390000e+00  1.8595780000e+00  1.8709500000e+00  7.2021000000e-02 -1.3350360000e+00 -2.5510860000e+00  2.8606300000e-01 -8.0807900000e-01 -2.5992230000e+00  1.0837040000e+00 -1.5885250000e+00 -1.6303500000e+00  2.2110000000e-01
-ENERGY -1.526545192648e+02
-FORCES  4.3311000000e-03 -1.4234000000e-03 -2.1852000000e-03 -1.6281000000e-03 -9.4660000000e-04  3.5135000000e-03 -2.6693000000e-03  2.5254000000e-03 -1.3556000000e-03  8.3260000000e-04  3.7990000000e-03  2.9701000000e-03 -1.9451000000e-03  1.2840000000e-04 -3.2604000000e-03  1.0788000000e-03 -4.0828000000e-03  3.1770000000e-04
-
-JOB 74
-COORDS  1.7532100000e-01 -2.7720530000e+00 -8.4749200000e-01  4.1027500000e-01 -2.4880120000e+00  3.5882000000e-02  3.8689800000e-01 -3.7054370000e+00 -8.6368800000e-01 -1.6451600000e-01  2.7446940000e+00  8.2318100000e-01 -1.0716160000e+00  2.8261380000e+00  5.2861600000e-01  1.5724800000e-01  3.6453910000e+00  8.6120100000e-01
-ENERGY -1.526543118456e+02
-FORCES  1.9728000000e-03 -2.2196000000e-03  3.7005000000e-03 -1.0411000000e-03 -1.6278000000e-03 -3.6525000000e-03 -8.8380000000e-04  3.7353000000e-03  2.0000000000e-05 -2.4418000000e-03  3.9701000000e-03 -1.3890000000e-03  3.7021000000e-03 -2.1120000000e-04  1.3996000000e-03 -1.3083000000e-03 -3.6468000000e-03 -7.8500000000e-05
-
-JOB 75
-COORDS -2.2157700000e-01  2.1159700000e+00 -2.0954040000e+00 -1.7519800000e-01  1.9391430000e+00 -1.1558230000e+00 -2.2791800000e-01  3.0709770000e+00 -2.1598490000e+00  1.9068300000e-01 -2.1786280000e+00  2.0957580000e+00  4.8862200000e-01 -1.2997580000e+00  1.8611270000e+00  4.4912300000e-01 -2.7256440000e+00  1.3539950000e+00
-ENERGY -1.526539119241e+02
-FORCES -1.2650000000e-04  3.5313000000e-03  3.3851000000e-03  1.1250000000e-04  3.5800000000e-04 -3.6886000000e-03  7.7900000000e-05 -3.9798000000e-03  2.9860000000e-04  2.3361000000e-03  1.0129000000e-03 -4.1008000000e-03 -1.3522000000e-03 -3.2334000000e-03  9.4410000000e-04 -1.0477000000e-03  2.3109000000e-03  3.1616000000e-03
-
-JOB 76
-COORDS -1.7007210000e+00 -2.7076140000e+00  2.6850500000e-01 -2.2131600000e+00 -2.7978300000e+00 -5.3492400000e-01 -9.5422800000e-01 -2.1637030000e+00  1.7225000000e-02  1.7380450000e+00  2.6341830000e+00 -2.1762300000e-01  1.2377770000e+00  2.8574940000e+00  5.6729500000e-01  1.4131810000e+00  3.2349640000e+00 -8.8826200000e-01
-ENERGY -1.526544801552e+02
-FORCES  1.2242000000e-03  1.8439000000e-03 -4.3468000000e-03  1.9783000000e-03  3.7410000000e-04  3.2687000000e-03 -3.3043000000e-03 -2.3175000000e-03  1.0801000000e-03 -3.1650000000e-03  3.7135000000e-03  6.3410000000e-04  2.0030000000e-03 -1.0297000000e-03 -3.3334000000e-03  1.2638000000e-03 -2.5844000000e-03  2.6973000000e-03
-
-JOB 77
-COORDS  2.9772550000e+00 -1.1869800000e-01 -1.5548460000e+00  2.8245860000e+00  5.4866300000e-01 -2.2238390000e+00  2.5442930000e+00  2.2249200000e-01 -7.7230800000e-01 -2.9466080000e+00  7.6662000000e-02  1.4902480000e+00 -2.2429170000e+00 -2.4696700000e-01  2.0526670000e+00 -3.6719650000e+00  2.5136200000e-01  2.0898890000e+00
-ENERGY -1.526541850605e+02
-FORCES -2.6609000000e-03  4.1422000000e-03  3.1980000000e-04  7.7340000000e-04 -2.6998000000e-03  2.7193000000e-03  1.9238000000e-03 -1.4447000000e-03 -3.0140000000e-03 -3.2590000000e-04 -8.1680000000e-04  4.7879000000e-03 -2.7169000000e-03  1.4978000000e-03 -2.3631000000e-03  3.0066000000e-03 -6.7860000000e-04 -2.4499000000e-03
-
-JOB 78
-COORDS -5.6446500000e-01  1.4334730000e+00  3.0565400000e+00  3.5116200000e-01  1.5785370000e+00  3.2949000000e+00 -9.8497400000e-01  2.2827370000e+00  3.1912820000e+00  5.5364700000e-01 -1.4982800000e+00 -3.1349560000e+00  7.6035400000e-01 -2.0624280000e+00 -2.3898110000e+00  7.0240000000e-03 -8.0438200000e-01 -2.7662550000e+00
-ENERGY -1.526544898298e+02
-FORCES  1.9739000000e-03  4.1749000000e-03  1.8006000000e-03 -3.7456000000e-03 -6.5080000000e-04 -1.0856000000e-03  1.7390000000e-03 -3.4934000000e-03 -6.1990000000e-04 -1.5262000000e-03  5.4960000000e-04  4.7492000000e-03 -7.1610000000e-04  2.2091000000e-03 -3.1385000000e-03  2.2750000000e-03 -2.7894000000e-03 -1.7058000000e-03
-
-JOB 79
-COORDS -1.1367000000e+00 -3.2669020000e+00  1.2791900000e+00 -2.0165500000e-01 -3.0905530000e+00  1.3832290000e+00 -1.4716760000e+00 -2.5098830000e+00  7.9862300000e-01  1.0522310000e+00  3.1990280000e+00 -1.2281890000e+00  1.1945610000e+00  3.9289920000e+00 -1.8307890000e+00  1.8997910000e+00  2.7565160000e+00 -1.1828340000e+00
-ENERGY -1.526542980163e+02
-FORCES  2.3557000000e-03  4.0073000000e-03 -1.5388000000e-03 -3.7119000000e-03 -8.1720000000e-04 -4.1760000000e-04  1.3771000000e-03 -3.2510000000e-03  1.9641000000e-03  4.0673000000e-03  1.4574000000e-03 -2.3520000000e-03 -5.5610000000e-04 -3.0276000000e-03  2.4707000000e-03 -3.5320000000e-03  1.6312000000e-03 -1.2640000000e-04
-
-JOB 80
-COORDS  1.8059650000e+00 -9.9256800000e-01  3.0648760000e+00  1.0627960000e+00 -1.2749140000e+00  3.5979920000e+00  2.4914790000e+00 -1.6345870000e+00  3.2495750000e+00 -1.8084570000e+00  9.8494200000e-01 -3.1386960000e+00 -2.4593800000e+00  1.5168470000e+00 -2.6808670000e+00 -9.9875300000e-01  1.4918410000e+00 -3.0781550000e+00
-ENERGY -1.526541650839e+02
-FORCES -2.7610000000e-04 -3.8997000000e-03  2.8452000000e-03  3.0419000000e-03  1.2122000000e-03 -2.1189000000e-03 -2.7709000000e-03  2.6515000000e-03 -7.1690000000e-04  8.3660000000e-04  4.1827000000e-03  2.3281000000e-03  2.5468000000e-03 -2.1518000000e-03 -1.9277000000e-03 -3.3784000000e-03 -1.9950000000e-03 -4.0970000000e-04
-
-JOB 81
-COORDS  1.7974300000e-01 -3.8180890000e+00  9.7072600000e-01  1.0487830000e+00 -3.8874730000e+00  5.7552000000e-01 -3.0879400000e-01 -4.5567000000e+00  6.0738400000e-01 -2.3066800000e-01  3.8688450000e+00 -9.8624600000e-01  4.8233500000e-01  4.3931080000e+00 -6.2154500000e-01 -4.5447900000e-01  3.2509360000e+00 -2.9030800000e-01
-ENERGY -1.526542636498e+02
-FORCES  1.5186000000e-03 -3.3746000000e-03 -3.1693000000e-03 -3.5290000000e-03  3.2100000000e-04  1.6585000000e-03  2.0069000000e-03  3.0094000000e-03  1.5080000000e-03  1.9364000000e-03 -5.1270000000e-04  4.3971000000e-03 -2.8699000000e-03 -2.0922000000e-03 -1.5187000000e-03  9.3710000000e-04  2.6491000000e-03 -2.8756000000e-03
-
-JOB 82
-COORDS -5.6483600000e-01 -3.3616850000e+00  2.7485210000e+00 -2.5502700000e-01 -2.9010200000e+00  1.9687530000e+00 -1.4967160000e+00 -3.1488000000e+00  2.7986380000e+00  6.1132900000e-01  3.2627430000e+00 -2.6969550000e+00  1.3149600000e-01  3.6708420000e+00 -3.4176820000e+00  8.2335100000e-01  3.9876490000e+00 -2.1089170000e+00
-ENERGY -1.526542678399e+02
-FORCES -2.4838000000e-03  2.8141000000e-03 -3.0867000000e-03 -1.2878000000e-03 -1.9449000000e-03  3.2577000000e-03  3.7559000000e-03 -8.9600000000e-04 -1.4420000000e-04 -1.0047000000e-03  4.7115000000e-03 -6.1850000000e-04  1.9273000000e-03 -1.6893000000e-03  2.9677000000e-03 -9.0690000000e-04 -2.9953000000e-03 -2.3759000000e-03
-
-JOB 83
-COORDS  2.1267760000e+00  1.8579310000e+00 -3.2995460000e+00  1.2035490000e+00  2.0865260000e+00 -3.4073790000e+00  2.4892500000e+00  1.8995120000e+00 -4.1844840000e+00 -2.0281900000e+00 -1.8924620000e+00  3.3826090000e+00 -2.5731440000e+00 -1.1706450000e+00  3.6960360000e+00 -2.5144970000e+00 -2.2566910000e+00  2.6429650000e+00
-ENERGY -1.526539344602e+02
-FORCES -2.2460000000e-03  1.0831000000e-03 -4.0132000000e-03  3.7348000000e-03 -9.2990000000e-04  4.2760000000e-04 -1.4962000000e-03 -1.6580000000e-04  3.6085000000e-03 -4.1072000000e-03  1.4892000000e-03 -1.7799000000e-03  2.1847000000e-03 -2.9560000000e-03 -1.2736000000e-03  1.9300000000e-03  1.4794000000e-03  3.0307000000e-03
-
-JOB 84
-COORDS -3.5771930000e+00 -2.3039930000e+00  2.0837920000e+00 -3.6821470000e+00 -3.1102590000e+00  2.5889170000e+00 -4.2896670000e+00 -2.3265620000e+00  1.4449620000e+00  3.6566530000e+00  2.3937350000e+00 -2.0595140000e+00  3.1903510000e+00  2.2436800000e+00 -2.8818750000e+00  3.4390670000e+00  1.6347920000e+00 -1.5183180000e+00
-ENERGY -1.526541641320e+02
-FORCES -3.4109000000e-03 -3.3717000000e-03 -4.5870000000e-04  4.5050000000e-04  3.2848000000e-03 -2.0919000000e-03  2.9477000000e-03  8.9000000000e-05  2.5675000000e-03 -2.8803000000e-03 -3.7258000000e-03 -1.0506000000e-03  1.9320000000e-03  6.2600000000e-04  3.2976000000e-03  9.6090000000e-04  3.0977000000e-03 -2.2638000000e-03
-
-JOB 85
-COORDS  3.7309930000e+00 -2.7456950000e+00 -2.4875880000e+00  2.7778470000e+00 -2.6831800000e+00 -2.4256390000e+00  3.9062890000e+00 -3.6845540000e+00 -2.5512050000e+00 -3.7122170000e+00  2.7843560000e+00  2.5496320000e+00 -2.8066830000e+00  2.6783530000e+00  2.2580780000e+00 -4.1660600000e+00  3.1555250000e+00  1.7929990000e+00
-ENERGY -1.526540912132e+02
-FORCES -3.1336000000e-03 -3.6430000000e-03 -9.6000000000e-06  3.8679000000e-03 -1.9690000000e-04 -2.4600000000e-04 -7.2680000000e-04  3.8458000000e-03  2.5470000000e-04  1.8667000000e-03  1.1489000000e-03 -4.2469000000e-03 -3.7179000000e-03  3.9010000000e-04  1.1714000000e-03  1.8437000000e-03 -1.5451000000e-03  3.0764000000e-03
-
-JOB 86
-COORDS -3.3091190000e+00 -2.0466040000e+00  4.2017080000e+00 -2.9998090000e+00 -1.3620470000e+00  4.7949540000e+00 -2.8688450000e+00 -2.8416080000e+00  4.5023070000e+00  3.2273910000e+00  2.0467260000e+00 -4.2070880000e+00  4.1566200000e+00  2.2703100000e+00 -4.1544060000e+00  3.0659880000e+00  1.9100670000e+00 -5.1406320000e+00
-ENERGY -1.526540314715e+02
-FORCES  3.1155000000e-03 -4.1030000000e-04  3.5835000000e-03 -1.2881000000e-03 -2.8096000000e-03 -2.3821000000e-03 -1.8184000000e-03  3.2237000000e-03 -1.2014000000e-03  3.0921000000e-03  3.4230000000e-04 -3.6040000000e-03 -3.7812000000e-03 -9.1050000000e-04 -2.0330000000e-04  6.8010000000e-04  5.6450000000e-04  3.8073000000e-03
-
-JOB 87
-COORDS  5.6191940000e+00  2.9549330000e+00  8.5453300000e-01  5.4495170000e+00  3.4794900000e+00  1.6370170000e+00  5.3727820000e+00  3.5244590000e+00  1.2573100000e-01 -5.6379350000e+00 -3.0617180000e+00 -8.7077400000e-01 -5.1357070000e+00 -2.8832020000e+00 -7.5707000000e-02 -5.4413550000e+00 -2.3249120000e+00 -1.4493110000e+00
-ENERGY -1.526540763933e+02
-FORCES -1.6332000000e-03  4.4826000000e-03  2.2180000000e-04  6.6300000000e-04 -2.1506000000e-03 -3.1976000000e-03  9.7310000000e-04 -2.3361000000e-03  2.9756000000e-03  2.8846000000e-03  3.7110000000e-03  8.8240000000e-04 -2.0692000000e-03 -7.1480000000e-04 -3.2408000000e-03 -8.1830000000e-04 -2.9921000000e-03  2.3587000000e-03
-
-JOB 88
-COORDS -6.1943620000e+00  7.3247800000e-01  2.3265480000e+00 -6.1546240000e+00 -1.6626800000e-01  1.9995790000e+00 -7.0470340000e+00  1.0560980000e+00  2.0359400000e+00  6.2483370000e+00 -7.0229200000e-01 -2.3640750000e+00  5.4831860000e+00 -9.5296000000e-01 -1.8464450000e+00  6.8513940000e+00 -3.1565700000e-01 -1.7291980000e+00
-ENERGY -1.526541078184e+02
-FORCES -3.3445000000e-03 -2.3358000000e-03 -2.5260000000e-03 -1.4200000000e-04  3.6622000000e-03  1.3387000000e-03  3.4832000000e-03 -1.3240000000e-03  1.1885000000e-03 -6.7540000000e-04  5.7950000000e-04  4.7157000000e-03  3.1266000000e-03  1.0036000000e-03 -2.1218000000e-03 -2.4479000000e-03 -1.5855000000e-03 -2.5951000000e-03
-
-JOB 89
-COORDS  1.6471540000e+00 -5.2710730000e+00  3.9980140000e+00  1.7615690000e+00 -5.6704480000e+00  3.1356680000e+00  1.4473770000e+00 -6.0057610000e+00  4.5781460000e+00 -1.6965930000e+00  5.3035990000e+00 -4.0266440000e+00 -1.6593630000e+00  5.8627470000e+00 -3.2506300000e+00 -8.1528800000e-01  4.9375760000e+00 -4.1012130000e+00
-ENERGY -1.526541035750e+02
-FORCES -3.6630000000e-04 -4.6406000000e-03 -1.1480000000e-03 -4.5590000000e-04  1.6384000000e-03  3.5154000000e-03  8.2150000000e-04  2.9994000000e-03 -2.3656000000e-03  3.7486000000e-03  7.7230000000e-04  2.8937000000e-03 -1.5460000000e-04 -2.2672000000e-03 -3.1789000000e-03 -3.5933000000e-03  1.4977000000e-03  2.8340000000e-04
-
-JOB 0
-COORDS -1.1519120000e+00 -4.4100400000e-01  3.5095000000e-02 -1.2695730000e+00 -5.8817500000e-01 -9.0337600000e-01 -1.2190600000e+00 -1.3126200000e+00  4.2497800000e-01  1.2143060000e+00  4.7918500000e-01  3.0141000000e-02  1.1511070000e+00  1.2935240000e+00 -4.6894800000e-01  3.5989600000e-01  6.2354000000e-02 -8.1519000000e-02
-ENERGY -1.526539472871e+02
-FORCES  1.2778000000e-02  2.3169000000e-03  1.2155000000e-03  5.4998000000e-03  2.3390000000e-03  6.1558000000e-03  1.0878000000e-03  5.1536000000e-03 -3.5350000000e-03 -2.4682600000e-02 -7.2987000000e-03  1.8534000000e-03 -1.9861000000e-03 -3.2232000000e-03  3.0570000000e-04  7.3031000000e-03  7.1240000000e-04 -5.9954000000e-03
-
-JOB 1
-COORDS -8.9423900000e-01  8.4845600000e-01  1.1513000000e-02 -1.7990660000e+00  1.0583820000e+00  2.4270700000e-01 -6.6585400000e-01  1.4848100000e+00 -6.6607500000e-01  9.6471100000e-01 -9.3008400000e-01  7.5162000000e-02  1.0779410000e+00 -1.2765100000e+00 -8.0993600000e-01  4.0740200000e-01 -1.6012100000e-01 -3.7960000000e-02
-ENERGY -1.526542510253e+02
-FORCES  5.3554000000e-03 -1.0158100000e-02  2.5325000000e-03  4.3416000000e-03  1.3113000000e-03 -2.9681000000e-03  3.4580000000e-04 -6.0182000000e-03  3.4298000000e-03 -1.5120400000e-02  1.0498900000e-02 -3.9960000000e-04 -1.4187000000e-03  2.7467000000e-03  1.9475000000e-03  6.4962000000e-03  1.6193000000e-03 -4.5421000000e-03
-
-JOB 2
-COORDS  1.0836900000e-01  1.2629130000e+00 -4.0166800000e-01 -8.0289100000e-01  1.5159560000e+00 -5.4933800000e-01  2.2072300000e-01  4.6143500000e-01 -9.1278600000e-01 -2.8470000000e-03 -1.2425640000e+00  4.1734400000e-01 -5.1998600000e-01 -1.8329900000e+00  9.6524600000e-01 -6.0766900000e-01 -5.3722700000e-01  1.8729700000e-01
-ENERGY -1.526487851305e+02
-FORCES  1.8892000000e-03 -6.8294000000e-03 -1.0780000000e-03  3.6404000000e-03 -5.6191000000e-03  3.5143000000e-03 -7.2278000000e-03  4.8630000000e-04  6.9243000000e-03 -9.3930000000e-04  9.7401000000e-03  1.0766000000e-03  1.0747000000e-03  4.8937000000e-03 -1.7299000000e-03  1.5629000000e-03 -2.6716000000e-03 -8.7072000000e-03
-
-JOB 3
-COORDS -1.1077080000e+00  8.7822000000e-02  6.9192200000e-01 -9.0827300000e-01  3.6367400000e-01  1.5865520000e+00 -1.4939450000e+00 -7.8252800000e-01  7.8961600000e-01  1.1691280000e+00 -2.1706000000e-02 -7.5336600000e-01  2.8706900000e-01  3.0911700000e-01 -5.8377700000e-01  1.0449280000e+00 -9.5274700000e-01 -9.3767700000e-01
-ENERGY -1.526569325112e+02
-FORCES  8.0551000000e-03 -3.0505000000e-03  9.1250000000e-04 -2.1421000000e-03 -1.8680000000e-03 -3.8143000000e-03  2.4136000000e-03  3.6721000000e-03 -3.4150000000e-04 -1.4485900000e-02 -2.2144000000e-03  7.8708000000e-03  5.5014000000e-03  1.5705000000e-03 -5.0670000000e-03  6.5780000000e-04  1.8903000000e-03  4.3950000000e-04
-
-JOB 4
-COORDS -1.2897900000e-01 -1.2432440000e+00 -5.4772400000e-01 -9.7911600000e-01 -1.1925770000e+00 -1.1076800000e-01 -2.9925900000e-01 -9.4086100000e-01 -1.4398010000e+00  2.3134900000e-01  1.2630980000e+00  5.4385500000e-01  3.2230000000e-02  3.5620100000e-01  3.1121700000e-01 -2.0308900000e-01  1.3956460000e+00  1.3864260000e+00
-ENERGY -1.526565920129e+02
-FORCES -2.7772000000e-03  2.7757000000e-03 -4.0060000000e-03  7.6210000000e-03  5.5217000000e-03  4.4510000000e-04  6.6730000000e-04 -1.2819000000e-03  5.8952000000e-03  5.9220000000e-04 -1.2367400000e-02 -3.1356000000e-03 -6.4046000000e-03  8.2903000000e-03  4.3947000000e-03  3.0130000000e-04 -2.9384000000e-03 -3.5934000000e-03
-
-JOB 5
-COORDS -7.5716200000e-01  6.3081000000e-02 -1.1886410000e+00 -2.6235700000e-01  3.0087800000e-01 -4.0451600000e-01 -1.3127800000e-01 -4.1686900000e-01 -1.7309970000e+00  6.5981300000e-01 -9.3564000000e-02  1.1511200000e+00  4.2028800000e-01  6.5446100000e-01  1.6982210000e+00  1.6133560000e+00 -4.5371000000e-02  1.0828190000e+00
-ENERGY -1.526577574491e+02
-FORCES  1.0122500000e-02 -3.8045000000e-03  1.1840900000e-02 -5.0217000000e-03  5.0327000000e-03 -6.2369000000e-03 -1.4064000000e-03  1.5266000000e-03  1.0538000000e-03  9.6170000000e-04  6.4450000000e-04 -4.6410000000e-04  8.7220000000e-04 -3.4748000000e-03 -5.7010000000e-03 -5.5283000000e-03  7.5500000000e-05 -4.9270000000e-04
-
-JOB 6
-COORDS -7.8617700000e-01 -8.2910900000e-01  6.7847500000e-01 -1.0278020000e+00 -1.6227080000e+00  2.0092900000e-01 -1.6186790000e+00 -4.7290500000e-01  9.8878300000e-01  8.5929900000e-01  8.2604800000e-01 -7.3192100000e-01  3.8359700000e-01  3.6835000000e-01 -3.8775000000e-02  1.0159910000e+00  1.7014110000e+00 -3.7777400000e-01
-ENERGY -1.526602846979e+02
-FORCES -5.5870000000e-04  8.2440000000e-04 -5.9469000000e-03 -4.7120000000e-04  3.6073000000e-03  3.4396000000e-03  4.0505000000e-03 -1.7550000000e-03 -1.6811000000e-03 -7.1502000000e-03 -6.9869000000e-03  7.7472000000e-03  6.2714000000e-03  7.5703000000e-03 -3.8342000000e-03 -2.1418000000e-03 -3.2602000000e-03  2.7540000000e-04
-
-JOB 7
-COORDS  6.7562200000e-01 -9.6256000000e-01  7.8381900000e-01  6.5260000000e-02 -2.9645200000e-01  4.6760600000e-01  7.6935300000e-01 -7.7789900000e-01  1.7183490000e+00 -6.7731000000e-01  9.0631600000e-01 -7.5936900000e-01 -8.4833900000e-01  4.2822100000e-01 -1.5707920000e+00  5.1958000000e-02  1.4883740000e+00 -9.7293100000e-01
-ENERGY -1.526614672197e+02
-FORCES -7.3134000000e-03  8.3769000000e-03 -4.2892000000e-03  6.2640000000e-03 -7.1535000000e-03  6.2431000000e-03 -8.6790000000e-04  1.0972000000e-03 -3.5253000000e-03  4.3964000000e-03 -1.9366000000e-03 -3.8587000000e-03  1.3210000000e-03  2.8596000000e-03  4.1159000000e-03 -3.8001000000e-03 -3.2436000000e-03  1.3142000000e-03
-
-JOB 8
-COORDS -5.8920000000e-03  1.0138490000e+00 -8.7013700000e-01 -9.2457200000e-01  8.7052400000e-01 -1.0975520000e+00  1.3610500000e-01  1.9481230000e+00 -1.0224540000e+00 -2.8060000000e-03 -1.1046440000e+00  9.0148700000e-01  8.4124100000e-01 -1.1655590000e+00  1.3488190000e+00  7.6854000000e-02 -3.3138700000e-01  3.4295300000e-01
-ENERGY -1.526603882777e+02
-FORCES -1.6493000000e-03  7.5090000000e-04  1.8961000000e-03  5.6342000000e-03  6.5870000000e-04  2.6634000000e-03 -1.8780000000e-03 -4.2441000000e-03 -6.1970000000e-04  4.2609000000e-03  9.8022000000e-03 -6.0970000000e-03 -2.1725000000e-03  7.1120000000e-04 -1.2836000000e-03 -4.1954000000e-03 -7.6789000000e-03  3.4408000000e-03
-
-JOB 9
-COORDS  1.9312400000e-01 -6.3297300000e-01  1.1760690000e+00  9.0392800000e-01 -2.0948400000e-01  1.6573670000e+00 -4.2228000000e-01 -9.1269000000e-01  1.8537620000e+00 -1.9686900000e-01  6.5928300000e-01 -1.3008780000e+00  1.0358800000e-01 -2.3265700000e-01 -1.1265210000e+00 -5.5680600000e-01  9.5877900000e-01 -4.6602500000e-01
-ENERGY -1.526583059827e+02
-FORCES  1.4139000000e-03  7.8590000000e-04  2.1518000000e-03 -4.1708000000e-03 -1.7479000000e-03 -2.0586000000e-03  2.7047000000e-03  2.4749000000e-03 -3.3948000000e-03  6.5850000000e-04 -6.9532000000e-03  1.1927600000e-02  2.1290000000e-04  1.8823000000e-03 -5.1376000000e-03 -8.1910000000e-04  3.5581000000e-03 -3.4884000000e-03
-
-JOB 10
-COORDS -1.1040000000e+00  6.0150100000e-01 -5.6286300000e-01 -1.5682100000e+00  4.9903900000e-01  2.6794500000e-01 -1.2282090000e+00  1.5217130000e+00 -7.9527300000e-01  1.1996510000e+00 -6.7736200000e-01  5.5421300000e-01  3.2270100000e-01 -7.8155600000e-01  9.2344600000e-01  1.0743980000e+00 -1.0750000000e-01 -2.0460300000e-01
-ENERGY -1.526556532635e+02
-FORCES -1.5928000000e-03  2.3927000000e-03  3.8661000000e-03  3.8418000000e-03 -1.0196000000e-03 -3.0805000000e-03  1.4712000000e-03 -4.5189000000e-03  1.1498000000e-03 -1.0360900000e-02  5.2525000000e-03 -6.1516000000e-03  7.7920000000e-04 -5.7400000000e-04  2.3501000000e-03  5.8615000000e-03 -1.5327000000e-03  1.8661000000e-03
-
-JOB 11
-COORDS  9.4342000000e-01 -7.6497500000e-01  7.4364900000e-01  1.7443640000e+00 -1.2248620000e+00  4.9220400000e-01  5.0341100000e-01 -5.7835300000e-01 -8.5685000000e-02 -9.6981900000e-01  7.1443600000e-01 -6.4298300000e-01 -8.0008400000e-01  8.0262200000e-01 -1.5808770000e+00 -1.0129870000e+00  1.6148940000e+00 -3.2120200000e-01
-ENERGY -1.526574212693e+02
-FORCES -5.5815000000e-03  3.4742000000e-03 -5.2872000000e-03 -3.7188000000e-03  2.6451000000e-03 -8.6850000000e-04  7.4751000000e-03 -5.7710000000e-03  1.2553000000e-03  1.1805000000e-03  5.4354000000e-03  2.6846000000e-03  1.5814000000e-03 -2.2164000000e-03  5.3501000000e-03 -9.3670000000e-04 -3.5673000000e-03 -3.1342000000e-03
-
-JOB 12
-COORDS -5.4164500000e-01 -8.0489300000e-01  9.9872200000e-01 -1.0720940000e+00 -1.0113720000e+00  2.2916300000e-01 -2.5098200000e-01 -1.6564020000e+00  1.3253410000e+00  5.1066500000e-01  8.7375400000e-01 -1.0327330000e+00  1.2428220000e+00  1.4679120000e+00 -8.6794700000e-01  5.0787200000e-01  2.8192500000e-01 -2.8042800000e-01
-ENERGY -1.526606981681e+02
-FORCES -3.6930000000e-03 -3.6891000000e-03 -1.5420000000e-03  5.5263000000e-03  1.2305000000e-03  3.9522000000e-03 -1.2195000000e-03  4.2753000000e-03 -2.2003000000e-03  2.2000000000e-05 -2.9693000000e-03  8.8836000000e-03 -2.0591000000e-03 -2.5505000000e-03  3.5290000000e-04  1.4233000000e-03  3.7032000000e-03 -9.4463000000e-03
-
-JOB 13
-COORDS  7.3972200000e-01 -5.5227700000e-01 -1.1380120000e+00  2.6488900000e-01 -3.1357900000e-01 -3.4190400000e-01  1.4252790000e+00  1.1110300000e-01 -1.2165670000e+00 -7.4260400000e-01  5.5188800000e-01  1.0490250000e+00 -9.3780000000e-02  3.3046000000e-02  1.5244870000e+00 -1.5855440000e+00  2.5351400000e-01  1.3905760000e+00
-ENERGY -1.526574098911e+02
-FORCES -5.6069000000e-03  7.8212000000e-03  5.6096000000e-03  8.1170000000e-03 -5.9882000000e-03  1.1330000000e-04 -1.9170000000e-03 -2.4803000000e-03  1.0146000000e-03 -3.0554000000e-03 -2.1833000000e-03  2.7733000000e-03 -2.3229000000e-03  1.3326000000e-03 -8.5824000000e-03  4.7852000000e-03  1.4980000000e-03 -9.2850000000e-04
-
-JOB 14
-COORDS -2.4109500000e-01  4.5489900000e-01  1.2756840000e+00  6.4613100000e-01  8.0818900000e-01  1.3408540000e+00 -4.6939000000e-01  2.1246300000e-01  2.1730910000e+00  2.4390000000e-01 -4.2461100000e-01 -1.3701560000e+00 -7.5488000000e-02 -2.4048900000e-01 -4.8679800000e-01 -1.3524600000e-01 -1.2756030000e+00 -1.5899130000e+00
-ENERGY -1.526612098858e+02
-FORCES  2.3861000000e-03 -4.5570000000e-04  2.2536000000e-03 -5.1334000000e-03 -2.7011000000e-03 -3.2340000000e-04  2.0861000000e-03  1.9154000000e-03 -3.4730000000e-03 -4.6615000000e-03 -3.8800000000e-05  9.0208000000e-03  4.4837000000e-03 -1.2069000000e-03 -8.7814000000e-03  8.3900000000e-04  2.4872000000e-03  1.3033000000e-03
-
-JOB 15
-COORDS  5.5979400000e-01 -1.3674130000e+00 -2.6032400000e-01  4.7079900000e-01 -5.0545000000e-01  1.4628700000e-01 -1.8699500000e-01 -1.8668400000e+00  6.9996000000e-02 -5.1788500000e-01  1.2823300000e+00  2.1390600000e-01 -5.5524100000e-01  1.7658820000e+00  1.0391410000e+00 -4.3725600000e-01  1.9596170000e+00 -4.5766900000e-01
-ENERGY -1.526601631477e+02
-FORCES -6.5034000000e-03  8.0555000000e-03  2.7560000000e-03  4.4606000000e-03 -7.8917000000e-03  2.0860000000e-04  2.5049000000e-03  9.0270000000e-04 -7.6340000000e-04 -2.4150000000e-04  4.0447000000e-03 -2.3839000000e-03  5.6880000000e-04 -2.9222000000e-03 -4.0835000000e-03 -7.8950000000e-04 -2.1890000000e-03  4.2662000000e-03
-
-JOB 16
-COORDS -7.7143000000e-02 -1.2425510000e+00 -6.4128700000e-01 -8.9990700000e-01 -1.3259070000e+00 -1.1233060000e+00  1.3503000000e-01 -2.1363450000e+00 -3.7231200000e-01  1.4491400000e-01  1.3084140000e+00  7.1467800000e-01 -3.2707800000e-01  1.9571100000e+00  1.9252100000e-01  1.2297800000e-01  5.1167500000e-01  1.8462500000e-01
-ENERGY -1.526608642806e+02
-FORCES -1.4694000000e-03 -3.5330000000e-03  1.5818000000e-03  4.0257000000e-03  5.9560000000e-04  2.3780000000e-03 -2.1064000000e-03  3.3114000000e-03 -2.5073000000e-03 -9.9740000000e-04 -7.3078000000e-03 -5.8658000000e-03  8.9150000000e-04 -2.8333000000e-03  1.0923000000e-03 -3.4400000000e-04  9.7672000000e-03  3.3210000000e-03
-
-JOB 17
-COORDS  5.8093900000e-01  1.2938730000e+00 -4.7582200000e-01  1.4398070000e+00  1.2306010000e+00 -8.9364400000e-01  1.6722500000e-01  4.4812100000e-01 -6.4837900000e-01 -6.0553400000e-01 -1.1713570000e+00  4.9450400000e-01 -1.0257830000e+00 -1.5727910000e+00  1.2550770000e+00 -2.0468400000e-01 -1.9042430000e+00  2.7139000000e-02
-ENERGY -1.526562634439e+02
-FORCES -1.6737000000e-03 -7.0954000000e-03  1.7035000000e-03 -3.1936000000e-03 -8.7200000000e-04  1.6278000000e-03  4.3347000000e-03  4.4587000000e-03 -4.9630000000e-03 -5.5360000000e-04 -2.0347000000e-03  4.2990000000e-03  2.2586000000e-03  3.5440000000e-04 -3.5593000000e-03 -1.1724000000e-03  5.1889000000e-03  8.9210000000e-04
-
-JOB 18
-COORDS  8.3116600000e-01 -1.1517500000e-01 -1.1583480000e+00  1.5830360000e+00 -5.2494000000e-01 -7.3054500000e-01  8.5441500000e-01 -4.4841800000e-01 -2.0553660000e+00 -8.9087100000e-01  1.2554700000e-01  1.2443150000e+00 -5.0356700000e-01 -2.7203600000e-01  4.6447200000e-01 -1.0104840000e+00  1.0459440000e+00  1.0102350000e+00
-ENERGY -1.526605762702e+02
-FORCES  3.9754000000e-03 -1.8182000000e-03 -2.7136000000e-03 -4.9664000000e-03  1.2953000000e-03 -2.1375000000e-03  5.8880000000e-04  1.5347000000e-03  4.4261000000e-03  3.6473000000e-03  2.5924000000e-03 -9.5043000000e-03 -2.7288000000e-03 -1.2572000000e-03  7.8640000000e-03 -5.1620000000e-04 -2.3470000000e-03  2.0652000000e-03
-
-JOB 19
-COORDS  4.6134700000e-01  1.0720700000e-01  1.3721880000e+00 -3.0115200000e-01 -2.5251500000e-01  1.8254280000e+00  6.3299900000e-01  9.3875700000e-01  1.8141080000e+00 -4.8009900000e-01 -9.2749000000e-02 -1.4394130000e+00  3.3078400000e-01  1.2342900000e-01 -9.7901400000e-01 -3.9433100000e-01 -1.0218240000e+00 -1.6531800000e+00
-ENERGY -1.526575197659e+02
-FORCES -5.8996000000e-03  9.3730000000e-04  2.3533000000e-03  4.1369000000e-03  1.3919000000e-03 -2.1200000000e-04 -7.8340000000e-04 -3.4205000000e-03 -2.5349000000e-03  5.3802000000e-03 -2.0732000000e-03  6.6216000000e-03 -1.9949000000e-03  1.4420000000e-04 -7.1633000000e-03 -8.3920000000e-04  3.0204000000e-03  9.3530000000e-04
-
-JOB 20
-COORDS  1.0045700000e-01 -7.3411000000e-01  1.3316380000e+00 -3.3889400000e-01  1.0450800000e-01  1.4727810000e+00 -5.7251900000e-01 -1.2959190000e+00  9.4731200000e-01 -9.7246000000e-02  7.1995500000e-01 -1.3183650000e+00  4.9370300000e-01  3.2552800000e-01 -1.9597990000e+00  4.8294000000e-01  1.0861700000e+00 -6.5090500000e-01
-ENERGY -1.526549418271e+02
-FORCES -6.8653000000e-03  1.4673000000e-03 -5.8644000000e-03  3.5666000000e-03 -1.7678000000e-03 -2.1480000000e-04  2.6672000000e-03  6.0760000000e-04  3.4549000000e-03  6.9003000000e-03 -3.1706000000e-03  3.0198000000e-03 -2.6164000000e-03  1.6485000000e-03  1.9291000000e-03 -3.6523000000e-03  1.2151000000e-03 -2.3246000000e-03
-
-JOB 21
-COORDS  5.3134000000e-01  1.3739530000e+00  3.4859700000e-01 -1.9901500000e-01  1.1332750000e+00 -2.2139200000e-01  1.1884940000e+00  1.7384100000e+00 -2.4432100000e-01 -5.9469100000e-01 -1.3511790000e+00 -2.9750300000e-01  1.9256800000e-01 -8.5783200000e-01 -6.7147000000e-02 -3.0542800000e-01 -2.2630320000e+00 -3.3040800000e-01
-ENERGY -1.526590716297e+02
-FORCES -2.6303000000e-03  4.2247000000e-03 -4.3155000000e-03  6.7031000000e-03 -1.1879000000e-03  3.3212000000e-03 -2.8167000000e-03 -2.7507000000e-03  2.5769000000e-03  4.9396000000e-03 -8.5630000000e-04  2.9463000000e-03 -6.0366000000e-03 -3.2042000000e-03 -4.9481000000e-03 -1.5900000000e-04  3.7744000000e-03  4.1920000000e-04
-
-JOB 22
-COORDS  1.0163930000e+00  7.1790700000e-01  8.8781100000e-01  5.3537700000e-01  3.7380200000e-01  1.3518300000e-01  1.9146540000e+00  8.1870400000e-01  5.7285200000e-01 -9.8668700000e-01 -6.6743700000e-01 -8.4126900000e-01 -1.0333730000e+00 -1.6015380000e+00 -6.3753200000e-01 -1.9000390000e+00 -3.8283200000e-01 -8.7320800000e-01
-ENERGY -1.526614813801e+02
-FORCES -2.9982000000e-03 -2.8042000000e-03 -6.2407000000e-03  7.7235000000e-03  4.5148000000e-03  5.5213000000e-03 -3.3170000000e-03 -9.6390000000e-04  4.6490000000e-04 -4.7654000000e-03 -2.6492000000e-03  1.8994000000e-03 -4.0110000000e-04  4.2494000000e-03 -1.4868000000e-03  3.7582000000e-03 -2.3468000000e-03 -1.5810000000e-04
-
-JOB 23
-COORDS -8.2681900000e-01 -1.1334400000e-01  1.3028870000e+00 -1.2799170000e+00  7.2786500000e-01  1.3603430000e+00 -6.4181700000e-01 -2.2306900000e-01  3.7016700000e-01  7.8848700000e-01  5.1667000000e-02 -1.2357710000e+00  1.1572620000e+00  9.3418100000e-01 -1.1982940000e+00  1.5012610000e+00 -4.9224200000e-01 -1.5709550000e+00
-ENERGY -1.526597003343e+02
-FORCES  2.0808000000e-03  1.7774000000e-03 -7.4480000000e-03  2.1276000000e-03 -2.3589000000e-03 -4.1260000000e-04 -5.4810000000e-03  3.1250000000e-04  7.3577000000e-03  5.6634000000e-03  9.2440000000e-04  2.6520000000e-04 -1.8012000000e-03 -3.8559000000e-03 -7.9020000000e-04 -2.5895000000e-03  3.2003000000e-03  1.0279000000e-03
-
-JOB 24
-COORDS -9.9803100000e-01  9.3718100000e-01 -5.6451100000e-01 -1.2981100000e-01  1.3334350000e+00 -4.9097000000e-01 -1.4521330000e+00  1.4731090000e+00 -1.2147450000e+00  1.0043270000e+00 -9.9644200000e-01  6.4689100000e-01  7.3207100000e-01 -1.6996730000e+00  5.7336000000e-02  6.0812000000e-01 -2.0706600000e-01  2.7792100000e-01
-ENERGY -1.526534411548e+02
-FORCES  1.1350000000e-04  5.2394000000e-03 -3.1653000000e-03 -1.9215000000e-03 -8.3859000000e-03  2.1113000000e-03  1.9697000000e-03 -2.4663000000e-03  3.2635000000e-03 -7.6289000000e-03 -3.0780000000e-04 -5.1122000000e-03  2.4078000000e-03  1.4110000000e-03  2.5862000000e-03  5.0595000000e-03  4.5097000000e-03  3.1660000000e-04
-
-JOB 25
-COORDS -1.0595780000e+00  1.0651720000e+00  9.2511000000e-02 -1.4412550000e+00  4.5523100000e-01  7.2380000000e-01 -7.7775700000e-01  1.8120760000e+00  6.2066200000e-01  1.1042480000e+00 -1.0657900000e+00 -1.0970500000e-01  3.9065700000e-01 -5.3569800000e-01 -4.6470100000e-01  1.1625780000e+00 -1.8164430000e+00 -7.0076200000e-01
-ENERGY -1.526602774340e+02
-FORCES  1.9400000000e-05  2.6181000000e-03  6.6741000000e-03  2.2529000000e-03  2.3195000000e-03 -4.1049000000e-03 -2.3199000000e-03 -3.0804000000e-03 -1.9901000000e-03 -3.6511000000e-03  3.1951000000e-03 -3.6138000000e-03  4.8759000000e-03 -8.1970000000e-03  1.0072000000e-03 -1.1773000000e-03  3.1446000000e-03  2.0275000000e-03
-
-JOB 26
-COORDS -3.7774700000e-01  3.2845600000e-01 -1.5184800000e+00 -1.7091000000e-01 -6.0612600000e-01 -1.5159180000e+00 -1.3584600000e-01  6.3018800000e-01 -6.4288100000e-01  2.8195200000e-01 -3.0199900000e-01  1.4754710000e+00  9.1338200000e-01 -8.6472500000e-01  1.0272890000e+00  8.0324100000e-01  4.3178400000e-01  1.8011300000e+00
-ENERGY -1.526564537446e+02
-FORCES  4.4200000000e-05 -3.7438000000e-03  8.3490000000e-03  5.8320000000e-04  2.7463000000e-03 -7.7290000000e-04  1.3979000000e-03  1.8437000000e-03 -6.9152000000e-03  5.1742000000e-03 -1.3881000000e-03  2.7562000000e-03 -4.0548000000e-03  3.5543000000e-03  2.3800000000e-05 -3.1447000000e-03 -3.0123000000e-03 -3.4408000000e-03
-
-JOB 27
-COORDS  9.6474700000e-01  8.9085300000e-01 -7.2340200000e-01  1.4572350000e+00  1.0112280000e+00  8.8508000000e-02  1.1032830000e+00  1.7029560000e+00 -1.2107710000e+00 -1.0218700000e+00 -9.5466900000e-01  7.6394800000e-01 -4.7483200000e-01 -2.1523400000e-01  4.9896100000e-01 -1.1596090000e+00 -1.4522770000e+00 -4.2058000000e-02
-ENERGY -1.526593834979e+02
-FORCES  3.6742000000e-03  5.0004000000e-03 -9.6570000000e-04 -4.9299000000e-03 -1.0940000000e-03 -3.3476000000e-03  3.9810000000e-04 -3.7813000000e-03  2.3866000000e-03  3.4202000000e-03  3.1847000000e-03 -8.0033000000e-03 -1.9586000000e-03 -3.8606000000e-03  6.7159000000e-03 -6.0390000000e-04  5.5070000000e-04  3.2141000000e-03
-
-JOB 28
-COORDS -2.4453300000e-01 -1.5135090000e+00 -4.4455100000e-01 -3.3703500000e-01 -1.7136920000e+00  4.8690100000e-01 -7.7776800000e-01 -7.2947300000e-01 -5.7562600000e-01  2.3455300000e-01  1.4380070000e+00  3.7544800000e-01  2.6214000000e-01  2.3915110000e+00  2.9607300000e-01  1.0246930000e+00  1.2152030000e+00  8.6765600000e-01
-ENERGY -1.526573219350e+02
-FORCES -2.4769000000e-03  6.5918000000e-03  3.5143000000e-03  1.1520000000e-03 -3.6800000000e-05 -3.0627000000e-03 -8.8600000000e-05 -6.3350000000e-03 -1.0610000000e-03  5.1402000000e-03  2.0644000000e-03  1.4039000000e-03  5.8000000000e-05 -4.3297000000e-03  1.7800000000e-04 -3.7848000000e-03  2.0452000000e-03 -9.7250000000e-04
-
-JOB 29
-COORDS  5.0463500000e-01 -1.4359320000e+00  4.4396100000e-01 -1.2060800000e-01 -2.1229040000e+00  6.7498800000e-01 -2.0636000000e-02 -7.7534700000e-01 -7.6460000000e-03 -3.7066000000e-01  1.4560260000e+00 -4.2194800000e-01 -1.0780930000e+00  1.4343420000e+00  2.2248900000e-01 -7.7564500000e-01  1.1495370000e+00 -1.2332940000e+00
-ENERGY -1.526559916457e+02
-FORCES -3.0845000000e-03  3.6619000000e-03 -1.6007000000e-03  1.7235000000e-03  3.7383000000e-03 -1.0758000000e-03 -6.2510000000e-04 -8.1140000000e-03  1.3783000000e-03 -4.2840000000e-03  4.1083000000e-03 -4.9240000000e-04  3.6791000000e-03 -1.9811000000e-03 -3.7789000000e-03  2.5910000000e-03 -1.4135000000e-03  5.5695000000e-03
-
-JOB 30
-COORDS  2.5864600000e-01  1.5887190000e+00  1.5931300000e-01  2.9349300000e-01  8.5425400000e-01 -4.5353300000e-01  7.8291000000e-01  1.3023060000e+00  9.0720800000e-01 -2.4769100000e-01 -1.5090430000e+00 -1.1989400000e-01 -3.2859200000e-01 -2.4154220000e+00 -4.1681700000e-01 -8.8942500000e-01 -1.0273490000e+00 -6.4179400000e-01
-ENERGY -1.526566009332e+02
-FORCES  3.7461000000e-03 -7.2433000000e-03  2.1982000000e-03 -3.5729000000e-03  4.0272000000e-03 -2.4080000000e-04 -1.4972000000e-03  3.1609000000e-03 -2.3086000000e-03 -4.3790000000e-03 -3.5088000000e-03 -2.3742000000e-03 -9.3100000000e-05  4.1817000000e-03  1.5148000000e-03  5.7960000000e-03 -6.1770000000e-04  1.2106000000e-03
-
-JOB 31
-COORDS -1.5699870000e+00 -2.8982100000e-01  2.4457700000e-01 -1.9967050000e+00  1.1521000000e-01 -5.1046800000e-01 -6.4111200000e-01 -3.0792200000e-01  1.4149000000e-02  1.5066250000e+00  3.2407600000e-01 -2.1439100000e-01  1.7863930000e+00 -4.7459500000e-01 -6.6170100000e-01  1.7849390000e+00  2.0091400000e-01  6.9313500000e-01
-ENERGY -1.526597308385e+02
-FORCES  5.8073000000e-03  3.9726000000e-03 -4.3658000000e-03  1.0914000000e-03 -1.7806000000e-03  2.4279000000e-03 -7.9872000000e-03 -4.3863000000e-03  1.8321000000e-03  6.7134000000e-03 -1.2396000000e-03  2.5060000000e-03 -3.6278000000e-03  3.6190000000e-03  2.5915000000e-03 -1.9971000000e-03 -1.8510000000e-04 -4.9916000000e-03
-
-JOB 32
-COORDS -8.5133700000e-01 -1.2829720000e+00 -5.3945100000e-01 -5.7022900000e-01 -1.8899710000e+00  1.4521200000e-01 -1.3244200000e-01 -6.5535200000e-01 -6.1370300000e-01  7.7325800000e-01  1.2953500000e+00  4.3576200000e-01  7.0527900000e-01  1.9340550000e+00  1.1454570000e+00  1.1572830000e+00  5.2054400000e-01  8.4616700000e-01
-ENERGY -1.526547013028e+02
-FORCES  3.3469000000e-03  3.3526000000e-03  2.0473000000e-03 -3.4300000000e-04  3.0012000000e-03 -2.1627000000e-03 -8.9480000000e-04 -6.6589000000e-03  8.9180000000e-04 -2.2490000000e-04  1.8094000000e-03  6.2143000000e-03  1.1354000000e-03 -2.8713000000e-03 -2.7713000000e-03 -3.0196000000e-03  1.3670000000e-03 -4.2195000000e-03
-
-JOB 33
-COORDS  5.9615400000e-01 -9.3149200000e-01 -1.2385800000e+00 -3.3846600000e-01 -7.5749800000e-01 -1.1270240000e+00  9.3366400000e-01 -1.0108190000e+00 -3.4637700000e-01 -5.9692100000e-01  8.7268700000e-01  1.1952560000e+00 -4.5276100000e-01  1.2568770000e+00  3.3047400000e-01 -1.1407500000e-01  1.4420700000e+00  1.7943350000e+00
-ENERGY -1.526573539396e+02
-FORCES -3.3167000000e-03 -1.2114000000e-03  6.7513000000e-03  3.7019000000e-03  1.4040000000e-03 -2.1498000000e-03  6.0350000000e-04 -3.2000000000e-05 -5.0811000000e-03  2.4790000000e-03  5.5590000000e-03 -6.7100000000e-04 -1.7087000000e-03 -3.0888000000e-03  3.8679000000e-03 -1.7591000000e-03 -2.6309000000e-03 -2.7173000000e-03
-
-JOB 34
-COORDS -1.4005820000e+00 -1.0081200000e-01  8.4521200000e-01 -9.3093200000e-01  3.3861300000e-01  1.3629300000e-01 -1.8844010000e+00 -8.0438200000e-01  4.1261500000e-01  1.4195850000e+00  1.8616300000e-01 -7.5441200000e-01  1.2400680000e+00 -5.4146600000e-01 -1.5896100000e-01  1.3029530000e+00 -1.8504000000e-01 -1.6289610000e+00
-ENERGY -1.526579855369e+02
-FORCES -2.9700000000e-05  1.6130000000e-03 -5.1994000000e-03 -4.4898000000e-03 -4.2807000000e-03  4.2415000000e-03  2.9732000000e-03  2.3791000000e-03  1.4495000000e-03  2.4530000000e-03 -5.5561000000e-03 -2.5280000000e-04  1.1000000000e-06  4.0661000000e-03 -4.5386000000e-03 -9.0780000000e-04  1.7787000000e-03  4.2999000000e-03
-
-JOB 35
-COORDS  6.9078300000e-01  8.8411000000e-01  1.0850300000e+00  5.4511700000e-01  1.8221260000e+00  9.6199500000e-01  1.6226840000e+00  8.1095300000e-01  1.2910450000e+00 -7.9799300000e-01 -9.0512300000e-01 -1.0986340000e+00 -1.2749100000e-01 -5.4666600000e-01 -5.1711100000e-01 -3.7337900000e-01 -1.6500810000e+00 -1.5240420000e+00
-ENERGY -1.526599456726e+02
-FORCES  2.6318000000e-03  6.0956000000e-03  2.2193000000e-03  1.5755000000e-03 -4.2241000000e-03  1.0801000000e-03 -4.3080000000e-03  6.1800000000e-05 -1.5786000000e-03  4.7722000000e-03  8.8970000000e-04  3.5914000000e-03 -3.7351000000e-03 -5.6156000000e-03 -7.1272000000e-03 -9.3630000000e-04  2.7926000000e-03  1.8150000000e-03
-
-JOB 36
-COORDS  1.2286320000e+00 -7.0676300000e-01 -7.2508600000e-01  1.8254750000e+00 -4.8763700000e-01 -1.4406240000e+00  1.5674450000e+00 -2.2145300000e-01  2.7184000000e-02 -1.2998870000e+00  6.2737500000e-01  7.6506800000e-01 -1.5979700000e+00  7.0273900000e-01 -1.4140800000e-01 -6.3131500000e-01  1.3064470000e+00  8.5509100000e-01
-ENERGY -1.526532549029e+02
-FORCES  3.5831000000e-03  1.6642000000e-03  2.1715000000e-03 -3.4998000000e-03 -3.8120000000e-04  3.0142000000e-03 -6.8730000000e-04 -7.8430000000e-04 -3.7697000000e-03  2.6598000000e-03  1.0302000000e-03 -6.2187000000e-03 -5.2950000000e-04  1.1545000000e-03  4.2254000000e-03 -1.5263000000e-03 -2.6834000000e-03  5.7730000000e-04
-
-JOB 37
-COORDS -6.1505300000e-01  2.6162700000e-01 -1.4093690000e+00  1.4625000000e-02  5.4369400000e-01 -2.0728260000e+00 -1.3866270000e+00 -5.4280000000e-03 -1.9089560000e+00  6.7240000000e-01 -3.1533400000e-01  1.4915600000e+00  2.1919400000e-01 -2.0847500000e-01  6.5524900000e-01  3.4189600000e-01  3.9877100000e-01  2.0365860000e+00
-ENERGY -1.526609511917e+02
-FORCES -1.1974000000e-03 -6.0700000000e-05 -6.3346000000e-03 -3.4638000000e-03 -1.2828000000e-03  2.5608000000e-03  3.6626000000e-03  1.7126000000e-03  1.3707000000e-03 -4.5300000000e-03  3.3886000000e-03 -4.2711000000e-03  4.3005000000e-03 -1.3632000000e-03  8.1929000000e-03  1.2280000000e-03 -2.3944000000e-03 -1.5187000000e-03
-
-JOB 38
-COORDS -6.3733400000e-01  4.8695600000e-01 -1.4270860000e+00 -5.7113000000e-01 -3.5129800000e-01 -1.8844460000e+00  2.6869300000e-01  7.8081900000e-01 -1.3322660000e+00  5.8110600000e-01 -5.1575900000e-01  1.4108200000e+00 -1.7775600000e-01  5.6373000000e-02  1.5249500000e+00  1.2766330000e+00 -9.5667000000e-02  1.9167810000e+00
-ENERGY -1.526562645516e+02
-FORCES  5.7554000000e-03 -4.4492000000e-03  1.0170000000e-04 -7.5940000000e-04  3.6810000000e-03  6.9970000000e-04 -3.9425000000e-03  6.1460000000e-04 -1.5098000000e-03 -2.8072000000e-03  3.7974000000e-03  2.1427000000e-03  4.4131000000e-03 -2.3993000000e-03  1.6530000000e-03 -2.6594000000e-03 -1.2444000000e-03 -3.0873000000e-03
-
-JOB 39
-COORDS  1.1021690000e+00  4.8158900000e-01  1.0264500000e+00  1.1173620000e+00  1.1984130000e+00  1.6606150000e+00  1.3210140000e+00 -2.9677300000e-01  1.5387890000e+00 -1.1159640000e+00 -4.2524600000e-01 -1.1119150000e+00 -3.9339400000e-01 -1.0527210000e+00 -1.1319320000e+00 -1.8204230000e+00 -8.8494200000e-01 -6.5513400000e-01
-ENERGY -1.526520487629e+02
-FORCES -2.9820000000e-04  1.0972000000e-03  4.3582000000e-03  3.2200000000e-05 -3.1705000000e-03 -2.5025000000e-03 -1.3823000000e-03  2.4820000000e-03 -3.0991000000e-03  2.7984000000e-03 -2.9016000000e-03  3.9584000000e-03 -3.7148000000e-03  7.7790000000e-04 -9.8530000000e-04  2.5647000000e-03  1.7150000000e-03 -1.7298000000e-03
-
-JOB 40
-COORDS -7.9107500000e-01 -6.9602800000e-01 -1.3137150000e+00 -1.1551400000e-01 -1.3282800000e+00 -1.5588800000e+00 -4.5712800000e-01 -2.8507400000e-01 -5.1632700000e-01  7.5096300000e-01  6.5043400000e-01  1.2562010000e+00  1.0066220000e+00  1.5279640000e+00  9.7193000000e-01  1.5205200000e-01  8.0011900000e-01  1.9877280000e+00
-ENERGY -1.526606814590e+02
-FORCES  5.8592000000e-03  4.5800000000e-05  5.0424000000e-03 -2.5022000000e-03  1.9605000000e-03  1.8610000000e-04 -5.1160000000e-03 -2.7470000000e-03 -7.1318000000e-03  8.2160000000e-04  5.7044000000e-03  4.6387000000e-03 -1.6744000000e-03 -4.3912000000e-03  1.3147000000e-03  2.6117000000e-03 -5.7260000000e-04 -4.0500000000e-03
-
-JOB 41
-COORDS  1.7063360000e+00 -4.4104500000e-01  3.3943000000e-02  7.8250900000e-01 -2.0348600000e-01  1.1357500000e-01  2.0703930000e+00  2.0912200000e-01 -5.6687000000e-01 -1.6849030000e+00  3.6235800000e-01 -5.8722000000e-02 -1.6562100000e+00 -5.5548000000e-02  8.0195400000e-01 -1.5184560000e+00  1.2881900000e+00  1.1837100000e-01
-ENERGY -1.526572622633e+02
-FORCES -4.3107000000e-03  3.2105000000e-03 -3.9446000000e-03  6.8415000000e-03 -1.0113000000e-03  2.8915000000e-03 -1.0038000000e-03 -2.1368000000e-03  2.6044000000e-03 -4.3978000000e-03  2.7666000000e-03  4.3754000000e-03  2.0882000000e-03  2.1785000000e-03 -4.8757000000e-03  7.8260000000e-04 -5.0076000000e-03 -1.0511000000e-03
-
-JOB 42
-COORDS -1.3676510000e+00 -3.2910900000e-01 -1.0492670000e+00 -1.9344560000e+00  4.4077300000e-01 -1.0966720000e+00 -5.4691700000e-01 -6.4100000000e-04 -6.8220100000e-01  1.3629290000e+00  2.6225800000e-01  9.7519200000e-01  1.7877230000e+00  9.7894700000e-01  1.4465070000e+00  8.7862300000e-01 -2.1450100000e-01  1.6492690000e+00
-ENERGY -1.526590675316e+02
-FORCES  3.2127000000e-03  4.8318000000e-03  1.4041000000e-03  1.8798000000e-03 -2.8222000000e-03  3.0300000000e-04 -7.2352000000e-03 -2.4767000000e-03 -3.0126000000e-03  2.1828000000e-03  8.8980000000e-04  6.4825000000e-03 -1.9700000000e-03 -3.3457000000e-03 -1.6086000000e-03  1.9299000000e-03  2.9230000000e-03 -3.5684000000e-03
-
-JOB 43
-COORDS  1.4622560000e+00  7.5031000000e-02  8.9153500000e-01  1.4927000000e+00 -1.1490300000e-01  1.8292080000e+00  1.4730800000e+00  1.0307700000e+00  8.3979200000e-01 -1.4781450000e+00 -1.5565600000e-01 -9.9606400000e-01 -1.2270280000e+00  7.6444800000e-01 -9.1493800000e-01 -1.4823710000e+00 -4.8345800000e-01 -9.6754000000e-02
-ENERGY -1.526540587162e+02
-FORCES  2.2705000000e-03  3.0410000000e-03  3.3922000000e-03 -9.6060000000e-04  6.7850000000e-04 -4.3314000000e-03 -1.2022000000e-03 -4.0822000000e-03  1.4000000000e-06  4.1900000000e-03  1.6122000000e-03  5.2213000000e-03 -1.7420000000e-03 -2.4312000000e-03 -7.8830000000e-04 -2.5557000000e-03  1.1817000000e-03 -3.4953000000e-03
-
-JOB 44
-COORDS  6.7178100000e-01 -1.1359600000e+00  1.0938560000e+00  1.4095860000e+00 -1.6688040000e+00  7.9728500000e-01  1.0213860000e+00 -6.2839700000e-01  1.8262410000e+00 -7.3662600000e-01  1.1564060000e+00 -1.1808090000e+00 -1.0614900000e+00  1.6360340000e+00 -4.1880400000e-01 -4.4454600000e-01  3.1566600000e-01 -8.2856300000e-01
-ENERGY -1.526586239791e+02
-FORCES  5.7964000000e-03 -1.1980000000e-03  3.4429000000e-03 -3.3216000000e-03  2.5215000000e-03  1.3337000000e-03 -1.6484000000e-03 -2.2376000000e-03 -3.2182000000e-03  5.5230000000e-04 -3.4032000000e-03  6.1047000000e-03  1.0295000000e-03 -8.1850000000e-04 -2.8827000000e-03 -2.4082000000e-03  5.1359000000e-03 -4.7804000000e-03
-
-JOB 45
-COORDS  5.1328100000e-01  1.3340490000e+00  1.0214090000e+00  1.0311930000e+00  1.5646710000e+00  2.5016800000e-01  1.1477470000e+00  9.6224200000e-01  1.6341440000e+00 -5.2652800000e-01 -1.3056980000e+00 -1.0229650000e+00 -9.9598000000e-01 -1.9881070000e+00 -1.5027190000e+00 -1.1484280000e+00 -1.0080480000e+00 -3.5898000000e-01
-ENERGY -1.526564118805e+02
-FORCES  5.6261000000e-03 -1.1239000000e-03 -1.8432000000e-03 -1.7902000000e-03  2.3530000000e-04  3.9347000000e-03 -2.6605000000e-03  1.7532000000e-03 -2.0704000000e-03 -4.6350000000e-03 -4.7660000000e-04  1.8615000000e-03  1.9413000000e-03  2.8398000000e-03  2.0588000000e-03  1.5182000000e-03 -3.2277000000e-03 -3.9413000000e-03
-
-JOB 46
-COORDS -1.4275580000e+00 -8.6066900000e-01  7.0650000000e-01 -1.6298320000e+00  4.1701000000e-02  4.5942500000e-01 -1.0864910000e+00 -1.2581570000e+00 -9.4692000000e-02  1.4161370000e+00  8.0561900000e-01 -6.0121600000e-01  7.4050000000e-01  1.2118820000e+00 -1.1440750000e+00  2.2282080000e+00  9.3661400000e-01 -1.0907180000e+00
-ENERGY -1.526533945930e+02
-FORCES  3.2696000000e-03  2.4787000000e-03 -3.9565000000e-03 -1.3370000000e-04 -3.2960000000e-03  3.1240000000e-04 -3.0884000000e-03  1.1460000000e-03  2.7318000000e-03  1.9178000000e-03  2.9721000000e-03 -3.9104000000e-03  1.7037000000e-03 -2.5522000000e-03  2.6483000000e-03 -3.6691000000e-03 -7.4860000000e-04  2.1744000000e-03
-
-JOB 47
-COORDS -3.4357200000e-01  3.5197000000e-02  1.7161500000e+00 -6.2138800000e-01  9.5087400000e-01  1.6919310000e+00 -8.6246400000e-01 -3.5449400000e-01  2.4198010000e+00  3.4183700000e-01 -7.6121000000e-02 -1.7067340000e+00  3.9476900000e-01 -4.8995600000e-01 -2.5682280000e+00  1.0958300000e+00  5.1279400000e-01 -1.6766550000e+00
-ENERGY -1.526525120713e+02
-FORCES -3.9563000000e-03  1.9841000000e-03  1.4835000000e-03  1.6577000000e-03 -3.3977000000e-03  7.0310000000e-04  2.2197000000e-03  1.4436000000e-03 -2.8912000000e-03  3.9163000000e-03  2.8090000000e-04 -2.4499000000e-03 -4.5540000000e-04  1.5676000000e-03  3.7452000000e-03 -3.3819000000e-03 -1.8785000000e-03 -5.9070000000e-04
-
-JOB 48
-COORDS  1.7368390000e+00  4.3822800000e-01 -4.2563800000e-01  7.8307500000e-01  3.9127100000e-01 -3.5960000000e-01  1.9433010000e+00 -1.3792000000e-02 -1.2437350000e+00 -1.6637560000e+00 -3.4336900000e-01  4.7641600000e-01 -2.2533490000e+00 -6.4722200000e-01 -2.1371700000e-01 -1.5529170000e+00 -1.1025130000e+00  1.0488200000e+00
-ENERGY -1.526583665975e+02
-FORCES -4.9554000000e-03 -1.7109000000e-03 -2.0750000000e-03  7.6768000000e-03  7.6830000000e-04 -1.9713000000e-03 -7.4200000000e-04  1.4986000000e-03  2.9413000000e-03 -4.4262000000e-03 -5.1087000000e-03  1.3518000000e-03  3.1644000000e-03  1.2378000000e-03  2.8107000000e-03 -7.1760000000e-04  3.3149000000e-03 -3.0575000000e-03
-
-JOB 49
-COORDS -8.9341000000e-01  7.9399000000e-01 -1.3496880000e+00 -2.4211200000e-01  1.2658800000e-01 -1.5655980000e+00 -7.3513000000e-01  1.4966090000e+00 -1.9801690000e+00  8.1311300000e-01 -8.2752100000e-01  1.4538810000e+00  4.2429300000e-01 -3.5743600000e-01  7.1626900000e-01  1.7567720000e+00 -7.7164900000e-01  1.3034860000e+00
-ENERGY -1.526552325878e+02
-FORCES  1.5697000000e-03  1.5321000000e-03 -6.1009000000e-03 -1.8246000000e-03  3.3443000000e-03  4.0220000000e-03 -7.6260000000e-04 -3.4275000000e-03  2.5447000000e-03  1.0214000000e-03  3.5890000000e-03 -2.6933000000e-03  3.8750000000e-03 -4.6745000000e-03  2.1580000000e-03 -3.8788000000e-03 -3.6340000000e-04  6.9400000000e-05
-
-JOB 50
-COORDS  1.5735000000e-02  1.4722820000e+00 -1.1203770000e+00 -6.5488700000e-01  1.8670350000e+00 -5.6300000000e-01 -4.4208100000e-01  7.7452000000e-01 -1.5891680000e+00  4.6503000000e-02 -1.4832560000e+00  1.0665170000e+00 -2.5294000000e-02 -5.3743700000e-01  1.1949870000e+00  1.9667900000e-01 -1.8339730000e+00  1.9443990000e+00
-ENERGY -1.526555637273e+02
-FORCES -4.5990000000e-03 -1.1586000000e-03 -2.1091000000e-03  3.3722000000e-03 -2.4649000000e-03 -1.1035000000e-03  1.7392000000e-03  3.8938000000e-03  2.2184000000e-03  1.6425000000e-03  2.8911000000e-03  3.7576000000e-03 -1.4954000000e-03 -4.7881000000e-03  7.5310000000e-04 -6.5950000000e-04  1.6268000000e-03 -3.5164000000e-03
-
-JOB 51
-COORDS  1.1299420000e+00 -1.4219470000e+00 -7.0393800000e-01  1.2479730000e+00 -8.0086000000e-01 -1.4226530000e+00  2.1729200000e-01 -1.3103550000e+00 -4.3776400000e-01 -1.0626210000e+00  1.4035530000e+00  6.7870700000e-01 -1.9844660000e+00  1.2755120000e+00  9.0240200000e-01 -5.8342700000e-01  1.0813080000e+00  1.4420960000e+00
-ENERGY -1.526564351744e+02
-FORCES -4.0023000000e-03  4.4377000000e-03 -2.3155000000e-03  2.7420000000e-04 -3.1742000000e-03  2.3896000000e-03  4.0843000000e-03 -2.2589000000e-03 -4.1390000000e-04 -1.7627000000e-03  1.1500000000e-04  5.2425000000e-03  4.1234000000e-03 -2.9700000000e-05 -1.1999000000e-03 -2.7168000000e-03  9.1010000000e-04 -3.7028000000e-03
-
-JOB 52
-COORDS  1.4404290000e+00 -6.4454200000e-01 -1.0715670000e+00  1.9326640000e+00 -6.1740400000e-01 -1.8920540000e+00  5.6950600000e-01 -3.2210100000e-01 -1.3034190000e+00 -1.3755040000e+00  5.7071200000e-01  1.1476260000e+00 -1.1504670000e+00  1.4926630000e+00  1.0227380000e+00 -2.3305610000e+00  5.4663300000e-01  1.0883150000e+00
-ENERGY -1.526546724112e+02
-FORCES -2.6616000000e-03  1.0713000000e-03 -3.3165000000e-03 -2.0551000000e-03  2.5600000000e-05  3.4221000000e-03  4.8269000000e-03 -1.0462000000e-03 -9.4290000000e-04 -3.0889000000e-03  4.0123000000e-03  1.1772000000e-03 -1.2595000000e-03 -4.1044000000e-03 -2.0690000000e-04  4.2382000000e-03  4.1400000000e-05 -1.3300000000e-04
-
-JOB 53
-COORDS -1.4387030000e+00 -1.4332750000e+00 -8.4070000000e-02 -2.0990580000e+00 -1.0889350000e+00 -6.8539700000e-01 -1.0404310000e+00 -6.5522200000e-01  3.0611500000e-01  1.3894650000e+00  1.3929440000e+00  1.1138800000e-01  1.6985400000e+00  8.2442500000e-01 -5.9394200000e-01  2.1719840000e+00  1.5783260000e+00  6.3055000000e-01
-ENERGY -1.526569690290e+02
-FORCES -9.3660000000e-04  5.3869000000e-03 -9.8900000000e-05  2.5821000000e-03 -1.5725000000e-03  2.1241000000e-03 -2.7202000000e-03 -4.8134000000e-03 -2.1121000000e-03  5.8821000000e-03 -8.7430000000e-04 -7.8880000000e-04 -1.6705000000e-03  2.6083000000e-03  3.2562000000e-03 -3.1370000000e-03 -7.3500000000e-04 -2.3805000000e-03
-
-JOB 54
-COORDS  1.5938620000e+00  1.1773480000e+00 -6.1180000000e-01  2.1701790000e+00  4.3986700000e-01 -8.1232900000e-01  7.1855600000e-01  7.9257700000e-01 -5.6680400000e-01 -1.5758980000e+00 -1.1154480000e+00  5.6441000000e-01 -1.2384130000e+00 -5.4908700000e-01  1.2583640000e+00 -2.0605370000e+00 -1.7990810000e+00  1.0270150000e+00
-ENERGY -1.526560627034e+02
-FORCES -1.6755000000e-03 -5.2113000000e-03 -1.6784000000e-03 -1.8483000000e-03  3.2013000000e-03  9.4960000000e-04  4.3168000000e-03  2.7775000000e-03  9.9500000000e-04 -1.9841000000e-03 -1.5203000000e-03  5.4483000000e-03 -8.1380000000e-04 -2.1803000000e-03 -4.0080000000e-03  2.0049000000e-03  2.9332000000e-03 -1.7065000000e-03
-
-JOB 55
-COORDS -1.6017560000e+00 -1.1684340000e+00 -4.4906500000e-01 -2.4244320000e+00 -1.6544720000e+00 -3.9247100000e-01 -1.8248490000e+00 -2.8429500000e-01 -1.5793000000e-01  1.6104980000e+00  1.1545090000e+00  4.4365800000e-01  1.9187970000e+00  4.5034000000e-01 -1.2671700000e-01  2.4023600000e+00  1.6398560000e+00  6.7522600000e-01
-ENERGY -1.526554795892e+02
-FORCES -4.0311000000e-03  2.2682000000e-03  1.9509000000e-03  3.2540000000e-03  1.9368000000e-03 -2.3760000000e-04 -4.9300000000e-05 -4.2662000000e-03 -1.6781000000e-03  4.5310000000e-03 -1.6479000000e-03 -1.5606000000e-03 -5.3590000000e-04  3.6694000000e-03  2.4506000000e-03 -3.1687000000e-03 -1.9603000000e-03 -9.2520000000e-04
-
-JOB 56
-COORDS  1.9716140000e+00  7.8947200000e-01  4.3537000000e-02  2.8045160000e+00  3.9772000000e-01 -2.1921100000e-01  1.5563360000e+00  1.2455800000e-01  5.9277700000e-01 -1.9965770000e+00 -7.3798600000e-01  1.0643000000e-02 -2.5100390000e+00 -1.2285000000e-01 -5.1299500000e-01 -1.4725270000e+00 -1.2191320000e+00 -6.2975000000e-01
-ENERGY -1.526550531031e+02
-FORCES  1.3365000000e-03 -3.9682000000e-03  2.0900000000e-03 -3.5633000000e-03  1.4531000000e-03  8.5200000000e-04  2.7537000000e-03  2.4718000000e-03 -2.8639000000e-03 -3.8030000000e-04  1.3775000000e-03 -5.3509000000e-03  1.7094000000e-03 -2.8927000000e-03  2.1330000000e-03 -1.8559000000e-03  1.5584000000e-03  3.1399000000e-03
-
-JOB 57
-COORDS -2.6964500000e-01  7.2884200000e-01 -2.0742800000e+00 -3.0932000000e-02 -1.8530300000e-01 -1.9207000000e+00 -7.8967800000e-01  9.7296600000e-01 -1.3086420000e+00  3.2392800000e-01 -6.3820800000e-01  2.0093850000e+00  2.0643700000e-01 -1.4273950000e+00  1.4806020000e+00 -2.7689500000e-01 -7.5118300000e-01  2.7459170000e+00
-ENERGY -1.526543782248e+02
-FORCES -5.3630000000e-04 -2.2103000000e-03  4.7786000000e-03 -1.1813000000e-03  3.0723000000e-03 -9.3520000000e-04  1.4246000000e-03 -1.0766000000e-03 -4.0428000000e-03 -2.2929000000e-03 -4.1196000000e-03  2.2109000000e-03  1.2510000000e-04  3.7927000000e-03  1.3382000000e-03  2.4608000000e-03  5.4150000000e-04 -3.3497000000e-03
-
-JOB 58
-COORDS -1.2369210000e+00 -1.1547060000e+00 -1.2717200000e+00 -2.1109730000e+00 -1.0721930000e+00 -1.6531090000e+00 -1.3454350000e+00 -1.7812830000e+00 -5.5627800000e-01  1.2338950000e+00  1.1586190000e+00  1.2445340000e+00  1.8426780000e+00  1.2986510000e+00  5.1927100000e-01  1.6867490000e+00  1.5129150000e+00  2.0097980000e+00
-ENERGY -1.526539479085e+02
-FORCES -3.8664000000e-03 -1.7342000000e-03  2.4140000000e-03  3.5384000000e-03 -3.8240000000e-04  1.3595000000e-03  1.2290000000e-04  1.9494000000e-03 -3.4461000000e-03  4.2417000000e-03  1.9577000000e-03 -8.2410000000e-04 -2.0030000000e-03 -2.3010000000e-04  3.5264000000e-03 -2.0336000000e-03 -1.5603000000e-03 -3.0297000000e-03
-
-JOB 59
-COORDS -1.6966280000e+00 -1.2830970000e+00  9.1036000000e-02 -1.1303890000e+00 -1.9390510000e+00  4.9764200000e-01 -2.1876850000e+00 -1.7679660000e+00 -5.7228800000e-01  1.6647680000e+00  1.3797590000e+00 -1.2942800000e-01  1.1533320000e+00  9.3460000000e-01  5.4621900000e-01  2.5762610000e+00  1.2164780000e+00  1.1295900000e-01
-ENERGY -1.526543705816e+02
-FORCES -2.9520000000e-04 -4.8572000000e-03 -2.1384000000e-03 -1.8997000000e-03  3.1965000000e-03 -1.2772000000e-03  1.8868000000e-03  1.7150000000e-03  3.0126000000e-03  5.0360000000e-04 -2.4851000000e-03  3.6657000000e-03  3.4732000000e-03  1.9652000000e-03 -2.2400000000e-03 -3.6686000000e-03  4.6550000000e-04 -1.0228000000e-03
-
-JOB 60
-COORDS -5.6020000000e-03 -1.5661900000e-01  2.1106430000e+00  9.3857600000e-01 -2.4656200000e-01  1.9815320000e+00 -1.0389200000e-01  2.3507000000e-02  3.0455900000e+00 -9.2267000000e-02  1.3846600000e-01 -2.2128040000e+00 -1.4047300000e-01  7.9752900000e-01 -1.5203130000e+00  7.3208700000e-01 -3.2019400000e-01 -2.0506240000e+00
-ENERGY -1.526544578518e+02
-FORCES  3.0252000000e-03 -1.7360000000e-04  4.3681000000e-03 -3.9010000000e-03  7.3430000000e-04 -2.1360000000e-04  5.4320000000e-04 -7.6000000000e-04 -3.9610000000e-03  2.3464000000e-03  5.7340000000e-04  4.5427000000e-03  8.3630000000e-04 -2.2501000000e-03 -3.8850000000e-03 -2.8501000000e-03  1.8760000000e-03 -8.5120000000e-04
-
-JOB 61
-COORDS -2.1420400000e-01 -2.0231700000e+00 -9.3026300000e-01  6.9863200000e-01 -2.0354420000e+00 -6.4249200000e-01 -5.9994100000e-01 -2.8066460000e+00 -5.3833800000e-01  2.0045200000e-01  2.0669750000e+00  9.5512600000e-01 -4.7232800000e-01  1.5328720000e+00  5.3283300000e-01  5.9930100000e-01  2.5610090000e+00  2.3882800000e-01
-ENERGY -1.526556764191e+02
-FORCES  2.4439000000e-03 -3.9105000000e-03  2.8550000000e-03 -3.9368000000e-03  2.3200000000e-05 -1.4426000000e-03  1.5831000000e-03  3.2336000000e-03 -1.6497000000e-03 -1.6128000000e-03 -5.7320000000e-04 -5.0030000000e-03  2.8768000000e-03  3.0801000000e-03  2.2728000000e-03 -1.3541000000e-03 -1.8532000000e-03  2.9676000000e-03
-
-JOB 62
-COORDS  1.7624870000e+00  1.2418940000e+00 -5.0148900000e-01  1.6742670000e+00  2.1950200000e+00 -5.0160000000e-01  2.7033720000e+00  1.0879580000e+00 -5.8676000000e-01 -1.7583500000e+00 -1.2553830000e+00  4.9015400000e-01 -2.0608500000e+00 -2.1058280000e+00  1.7161200000e-01 -2.4296380000e+00 -9.8040600000e-01  1.1146470000e+00
-ENERGY -1.526526571863e+02
-FORCES  3.1076000000e-03  3.0557000000e-03 -2.1480000000e-04  4.1670000000e-04 -3.8370000000e-03  1.5000000000e-05 -3.8505000000e-03  5.7960000000e-04  2.9740000000e-04 -3.6193000000e-03 -2.1664000000e-03  1.1333000000e-03  1.2483000000e-03  3.4477000000e-03  1.3286000000e-03  2.6971000000e-03 -1.0796000000e-03 -2.5595000000e-03
-
-JOB 63
-COORDS  1.9012100000e-01 -1.5997910000e+00 -1.5855410000e+00  5.3108900000e-01 -1.6216150000e+00 -2.4796870000e+00 -7.5010200000e-01 -1.4543570000e+00 -1.6907190000e+00 -1.3628100000e-01  1.6065900000e+00  1.5732690000e+00  1.2517300000e-01  2.0254550000e+00  2.3932850000e+00 -8.0972100000e-01  9.7654100000e-01  1.8296830000e+00
-ENERGY -1.526535043057e+02
-FORCES -2.1247000000e-03  1.3414000000e-03 -4.1348000000e-03 -1.4169000000e-03 -1.6430000000e-04  3.5706000000e-03  3.5937000000e-03 -9.5130000000e-04  6.4050000000e-04 -1.2282000000e-03 -1.5653000000e-03  4.2807000000e-03 -1.0693000000e-03 -1.5895000000e-03 -3.3701000000e-03  2.2454000000e-03  2.9291000000e-03 -9.8690000000e-04
-
-JOB 64
-COORDS -6.3872800000e-01 -2.1192050000e+00  8.1958400000e-01 -3.4524300000e-01 -2.6672630000e+00  9.1758000000e-02  1.1926800000e-01 -1.5739750000e+00  1.0302920000e+00  5.8208300000e-01  2.0542890000e+00 -7.7931600000e-01  8.8344900000e-01  2.7814100000e+00 -2.3460900000e-01  1.1476400000e-01  2.4733940000e+00 -1.5019470000e+00
-ENERGY -1.526548147724e+02
-FORCES  4.4894000000e-03  1.1419000000e-03 -2.6481000000e-03 -1.2913000000e-03  1.7501000000e-03  2.9553000000e-03 -2.9652000000e-03 -3.1556000000e-03 -9.2200000000e-05 -1.3026000000e-03  4.9260000000e-03 -9.3350000000e-04 -1.0953000000e-03 -3.1129000000e-03 -2.1758000000e-03  2.1651000000e-03 -1.5496000000e-03  2.8943000000e-03
-
-JOB 65
-COORDS  1.4217570000e+00 -1.9070900000e+00  2.4506600000e-01  6.5408100000e-01 -1.9635440000e+00 -3.2389700000e-01  2.0417110000e+00 -1.3638790000e+00 -2.4156600000e-01 -1.3535260000e+00  1.8661820000e+00 -1.3484200000e-01 -1.3623790000e+00  2.3024860000e+00 -9.8677600000e-01 -2.2630870000e+00  1.6060950000e+00  1.1051000000e-02
-ENERGY -1.526541521889e+02
-FORCES -1.1267000000e-03  3.1860000000e-03 -4.0272000000e-03  3.1969000000e-03 -5.9390000000e-04  2.0300000000e-03 -2.0598000000e-03 -2.6516000000e-03  1.7297000000e-03 -4.1030000000e-03  1.2000000000e-03 -2.2889000000e-03  2.6540000000e-04 -2.1118000000e-03  3.4123000000e-03  3.8273000000e-03  9.7130000000e-04 -8.5600000000e-04
-
-JOB 66
-COORDS -9.1142100000e-01  1.8221720000e+00  1.5150800000e+00 -9.3347400000e-01  1.0462730000e+00  9.5496700000e-01 -1.6659550000e+00  1.7208360000e+00  2.0952880000e+00  9.6928600000e-01 -1.8256240000e+00 -1.4734430000e+00  6.8543600000e-01 -9.3804800000e-01 -1.2546480000e+00  1.0026170000e+00 -1.8379820000e+00 -2.4299820000e+00
-ENERGY -1.526537243717e+02
-FORCES -3.5074000000e-03 -3.6957000000e-03  8.3260000000e-04  6.3630000000e-04  3.2401000000e-03  1.3994000000e-03  3.1257000000e-03  5.5290000000e-04 -2.4687000000e-03 -3.0680000000e-04  3.5631000000e-03 -3.5268000000e-03  2.7410000000e-04 -3.6518000000e-03 -2.7570000000e-04 -2.2190000000e-04 -8.7000000000e-06  4.0392000000e-03
-
-JOB 67
-COORDS -1.3519610000e+00 -2.0771150000e+00 -2.7898100000e-01 -1.9163230000e+00 -1.9605080000e+00 -1.0432650000e+00 -1.9583280000e+00 -2.2245270000e+00  4.4684400000e-01  1.4441980000e+00  2.1112140000e+00  3.3073900000e-01  1.6494430000e+00  2.1872880000e+00 -6.0109700000e-01  7.8446300000e-01  1.4191280000e+00  3.7544500000e-01
-ENERGY -1.526551768096e+02
-FORCES -5.1679000000e-03 -1.1129000000e-03 -1.1160000000e-04  2.4948000000e-03 -1.7920000000e-04  3.2010000000e-03  2.5567000000e-03  8.2740000000e-04 -3.1034000000e-03 -1.8689000000e-03 -3.2958000000e-03 -3.5886000000e-03 -7.8140000000e-04  1.0100000000e-05  3.6231000000e-03  2.7667000000e-03  3.7506000000e-03 -2.0500000000e-05
-
-JOB 68
-COORDS -6.9990000000e-03 -2.4983760000e+00  7.4866100000e-01 -3.0176800000e-01 -1.7071650000e+00  2.9774100000e-01  7.8722500000e-01 -2.2296540000e+00  1.2104270000e+00  2.2768000000e-02  2.3844700000e+00 -7.2641400000e-01  3.0825500000e-01  3.2735680000e+00 -9.3673400000e-01 -9.2340500000e-01  2.3957490000e+00 -8.7084700000e-01
-ENERGY -1.526551542091e+02
-FORCES  2.3743000000e-03  4.9190000000e-03 -1.5300000000e-04  6.1410000000e-04 -3.7639000000e-03  1.8761000000e-03 -3.1457000000e-03 -1.4933000000e-03 -1.6226000000e-03 -2.5076000000e-03  4.3873000000e-03 -1.6630000000e-03 -1.2917000000e-03 -3.6213000000e-03  8.6230000000e-04  3.9565000000e-03 -4.2780000000e-04  7.0030000000e-04
-
-JOB 69
-COORDS -1.1199760000e+00  1.8734480000e+00 -1.5893800000e+00 -1.8346400000e-01  1.9322380000e+00 -1.4003790000e+00 -1.2890480000e+00  9.3521400000e-01 -1.6751930000e+00  1.0939860000e+00 -1.7662470000e+00  1.5297750000e+00  1.3540650000e+00 -2.6865980000e+00  1.5690950000e+00  5.1145400000e-01 -1.6492060000e+00  2.2802350000e+00
-ENERGY -1.526550617400e+02
-FORCES  3.5377000000e-03 -3.9846000000e-03  7.3640000000e-04 -3.8978000000e-03  2.2320000000e-04 -1.0224000000e-03  2.3920000000e-04  3.9503000000e-03  4.9700000000e-05 -1.1455000000e-03 -3.4328000000e-03  3.6626000000e-03 -1.1333000000e-03  3.7942000000e-03 -2.1050000000e-04  2.3996000000e-03 -5.5030000000e-04 -3.2159000000e-03
-
-JOB 70
-COORDS -1.5297320000e+00 -9.3879300000e-01 -1.9722750000e+00 -1.3299350000e+00 -1.8491520000e+00 -1.7541930000e+00 -2.2875420000e+00 -9.9227300000e-01 -2.5545950000e+00  1.6283420000e+00  9.8161000000e-01  1.9934630000e+00  9.6888600000e-01  5.1225300000e-01  2.5043970000e+00  1.1238180000e+00  1.5795860000e+00  1.4419990000e+00
-ENERGY -1.526545939877e+02
-FORCES -2.0748000000e-03 -4.1415000000e-03 -1.7916000000e-03 -1.0261000000e-03  3.7689000000e-03 -8.0110000000e-04  3.0760000000e-03  2.4350000000e-04  2.4513000000e-03 -5.0473000000e-03  4.7560000000e-04 -7.5620000000e-04  2.7895000000e-03  1.7972000000e-03 -1.7672000000e-03  2.2826000000e-03 -2.1437000000e-03  2.6648000000e-03
-
-JOB 71
-COORDS  1.3771540000e+00 -9.5043600000e-01 -2.1553330000e+00  1.1013200000e+00 -1.4889450000e+00 -1.4136090000e+00  8.5811900000e-01 -1.2728520000e+00 -2.8921390000e+00 -1.2872930000e+00  1.0407290000e+00  2.2070200000e+00 -1.1274640000e+00  1.6007200000e-01  1.8677130000e+00 -1.9866720000e+00  1.3879620000e+00  1.6533680000e+00
-ENERGY -1.526536015484e+02
-FORCES -2.7817000000e-03 -3.6127000000e-03 -2.2430000000e-04  7.2420000000e-04  2.3467000000e-03 -2.8558000000e-03  2.0131000000e-03  1.3928000000e-03  3.1818000000e-03 -2.0278000000e-03 -1.8149000000e-03 -3.8691000000e-03 -6.5980000000e-04  3.2489000000e-03  1.3805000000e-03  2.7320000000e-03 -1.5609000000e-03  2.3870000000e-03
-
-JOB 72
-COORDS -2.1719250000e+00  1.5385580000e+00 -1.3938430000e+00 -2.1195770000e+00  5.9962900000e-01 -1.5724600000e+00 -1.9641160000e+00  1.6176890000e+00 -4.6283000000e-01  2.1089010000e+00 -1.5290730000e+00  1.3854810000e+00  2.8857670000e+00 -1.1359190000e+00  1.7831500000e+00  2.1862620000e+00 -1.3238030000e+00  4.5375600000e-01
-ENERGY -1.526544969800e+02
-FORCES  7.9520000000e-04 -3.6027000000e-03  3.3309000000e-03 -5.3000000000e-05  3.8704000000e-03  5.2410000000e-04 -7.8730000000e-04 -1.6730000000e-04 -3.9704000000e-03  3.9448000000e-03  2.2884000000e-03 -2.0765000000e-03 -3.2493000000e-03 -1.5939000000e-03 -1.6445000000e-03 -6.5040000000e-04 -7.9490000000e-04  3.8363000000e-03
-
-JOB 73
-COORDS  1.5813610000e+00  2.5274860000e+00 -5.7292000000e-02  2.3023550000e+00  2.8875410000e+00  4.5919500000e-01  1.0496600000e+00  2.0455360000e+00  5.7615100000e-01 -1.6264210000e+00 -2.5626770000e+00 -1.1853000000e-02 -1.7052060000e+00 -1.6257780000e+00 -1.9142300000e-01 -7.6741100000e-01 -2.6567230000e+00  3.9983700000e-01
-ENERGY -1.526538690797e+02
-FORCES  1.0512000000e-03  1.3000000000e-06  4.7604000000e-03 -3.0271000000e-03 -1.5750000000e-03 -2.1223000000e-03  1.9731000000e-03  1.5123000000e-03 -2.7758000000e-03  3.2098000000e-03  3.3094000000e-03  5.0460000000e-04  3.5530000000e-04 -3.7749000000e-03  1.1011000000e-03 -3.5624000000e-03  5.2690000000e-04 -1.4680000000e-03
-
-JOB 74
-COORDS -7.2124800000e-01 -2.1580920000e+00  2.0325600000e+00  7.4652000000e-02 -1.7368280000e+00  2.3570760000e+00 -1.1891410000e+00 -2.4281090000e+00  2.8227500000e+00  6.8026400000e-01  2.1356390000e+00 -2.1567220000e+00  1.5393890000e+00  1.8586820000e+00 -1.8382410000e+00  3.4992500000e-01  2.7225280000e+00 -1.4765240000e+00
-ENERGY -1.526537386452e+02
-FORCES  1.2368000000e-03  4.7340000000e-04  4.4904000000e-03 -3.1851000000e-03 -1.5834000000e-03 -1.3453000000e-03  1.9438000000e-03  1.1493000000e-03 -3.2351000000e-03  1.9254000000e-03  9.8490000000e-04  4.1206000000e-03 -3.3935000000e-03  1.2371000000e-03 -1.2579000000e-03  1.4726000000e-03 -2.2612000000e-03 -2.7727000000e-03
-
-JOB 75
-COORDS -6.4723400000e-01 -3.0151420000e+00 -1.2374950000e+00 -6.4795800000e-01 -3.6370200000e+00 -5.0982700000e-01 -1.3684320000e+00 -2.4167430000e+00 -1.0424980000e+00  7.2638500000e-01  3.0102170000e+00  1.2176110000e+00  6.7509700000e-01  3.6274800000e+00  4.8782500000e-01 -1.1395400000e-01  2.5520970000e+00  1.2039570000e+00
-ENERGY -1.526538635168e+02
-FORCES -2.7838000000e-03 -2.3880000000e-04  3.8278000000e-03 -8.3400000000e-05  2.5655000000e-03 -3.0086000000e-03  2.8980000000e-03 -2.2739000000e-03 -7.9760000000e-04 -3.4628000000e-03  6.2850000000e-04 -3.1943000000e-03  1.3600000000e-04 -2.4885000000e-03  3.0453000000e-03  3.2960000000e-03  1.8072000000e-03  1.2750000000e-04
-
-JOB 76
-COORDS -2.0871880000e+00  2.4714200000e+00 -9.7623100000e-01 -1.7942160000e+00  3.3782000000e+00 -1.0665040000e+00 -1.2951160000e+00  1.9494340000e+00 -1.1042340000e+00  2.0640740000e+00 -2.4396230000e+00  1.0255910000e+00  1.6616890000e+00 -2.3220860000e+00  1.6506600000e-01  1.9432940000e+00 -3.3686100000e+00  1.2221290000e+00
-ENERGY -1.526540607466e+02
-FORCES  4.5046000000e-03  1.6998000000e-03 -6.6080000000e-04 -1.2330000000e-03 -3.7061000000e-03  2.9370000000e-04 -3.2747000000e-03  1.9663000000e-03  3.3180000000e-04 -2.1924000000e-03 -3.5466000000e-03 -2.5453000000e-03  1.6543000000e-03 -2.2730000000e-04  3.4266000000e-03  5.4110000000e-04  3.8138000000e-03 -8.4590000000e-04
-
-JOB 77
-COORDS  2.3564550000e+00 -2.0050220000e+00 -1.3563200000e+00  1.6500560000e+00 -1.3986770000e+00 -1.5789790000e+00  2.7887730000e+00 -2.1866500000e+00 -2.1907930000e+00 -2.3346570000e+00  2.0246510000e+00  1.4633420000e+00 -2.7366340000e+00  2.1362930000e+00  6.0184200000e-01 -2.0687770000e+00  1.1054180000e+00  1.4868040000e+00
-ENERGY -1.526539366694e+02
-FORCES -8.3100000000e-04  1.7613000000e-03 -4.3977000000e-03  2.6392000000e-03 -2.5162000000e-03  1.0165000000e-03 -1.8369000000e-03  7.4040000000e-04  3.4216000000e-03 -6.3580000000e-04 -3.3188000000e-03 -3.1572000000e-03  1.7514000000e-03 -4.9240000000e-04  3.4242000000e-03 -1.0869000000e-03  3.8258000000e-03 -3.0730000000e-04
-
-JOB 78
-COORDS -1.3474830000e+00 -5.9302300000e-01  3.1173690000e+00 -5.4987500000e-01 -4.3031400000e-01  2.6138020000e+00 -1.9243330000e+00  1.3808100000e-01  2.8960930000e+00  1.2993660000e+00  5.9902900000e-01 -3.0752840000e+00  1.7959730000e+00  1.9808500000e-01 -2.3619420000e+00  1.4338520000e+00  1.3182000000e-02 -3.8202200000e+00
-ENERGY -1.526541685418e+02
-FORCES  7.5070000000e-04  3.7803000000e-03 -3.0442000000e-03 -3.0859000000e-03 -7.8890000000e-04  2.0644000000e-03  2.3691000000e-03 -3.0213000000e-03  1.0028000000e-03  2.6599000000e-03 -4.1015000000e-03 -4.4560000000e-04 -2.1600000000e-03  1.7122000000e-03 -2.6716000000e-03 -5.3390000000e-04  2.4192000000e-03  3.0943000000e-03
-
-JOB 79
-COORDS  3.2440330000e+00  6.9385700000e-01  1.1171990000e+00  3.1055640000e+00  1.3479030000e+00  1.8022400000e+00  4.0610670000e+00  2.5932800000e-01  1.3618850000e+00 -3.2952030000e+00 -6.7609900000e-01 -1.1160920000e+00 -2.4638480000e+00 -1.1162480000e+00 -1.2931530000e+00 -3.8107220000e+00 -8.0782300000e-01 -1.9117800000e+00
-ENERGY -1.526542424097e+02
-FORCES  2.6840000000e-03  1.0155000000e-03  3.8939000000e-03  6.6850000000e-04 -2.6941000000e-03 -2.8038000000e-03 -3.3290000000e-03  1.7300000000e-03 -1.0411000000e-03  1.5806000000e-03 -2.2539000000e-03 -3.9209000000e-03 -3.6249000000e-03  1.6763000000e-03  6.4410000000e-04  2.0210000000e-03  5.2620000000e-04  3.2278000000e-03
-
-JOB 80
-COORDS  3.5437050000e+00 -1.7261500000e-01  4.0499900000e-01  4.3771330000e+00 -5.5277700000e-01  1.2731800000e-01  2.8939020000e+00 -8.4610300000e-01  2.0400100000e-01 -3.5812020000e+00  2.4291600000e-01 -3.2649400000e-01 -3.4350710000e+00 -6.1678200000e-01 -7.2120400000e-01 -3.1726240000e+00  8.5882800000e-01 -9.3472800000e-01
-ENERGY -1.526539800274e+02
-FORCES  7.9450000000e-04 -4.3228000000e-03 -1.7597000000e-03 -3.4370000000e-03  1.5593000000e-03  1.0891000000e-03  2.6275000000e-03  2.7642000000e-03  6.6280000000e-04  2.2408000000e-03 -8.1640000000e-04 -4.0626000000e-03 -5.1910000000e-04  3.4398000000e-03  1.6260000000e-03 -1.7066000000e-03 -2.6240000000e-03  2.4442000000e-03
-
-JOB 81
-COORDS -1.7491240000e+00  7.7772100000e-01  3.4124260000e+00 -2.5001400000e+00  2.9110100000e-01  3.7521430000e+00 -1.6009670000e+00  4.1224200000e-01  2.5402410000e+00  1.8159140000e+00 -6.7399300000e-01 -3.3969340000e+00  1.7999180000e+00 -1.2412020000e+00 -2.6260580000e+00  1.2178470000e+00 -1.0931030000e+00 -4.0157180000e+00
-ENERGY -1.526539277925e+02
-FORCES -2.4815000000e-03 -3.3395000000e-03 -2.1833000000e-03  3.0896000000e-03  1.9492000000e-03 -1.4073000000e-03 -5.9230000000e-04  1.3610000000e-03  3.5751000000e-03 -2.3329000000e-03 -4.0344000000e-03  5.0550000000e-04 -7.5000000000e-05  2.3438000000e-03 -3.0925000000e-03  2.3922000000e-03  1.7198000000e-03  2.6025000000e-03
-
-JOB 82
-COORDS  3.7904810000e+00 -2.1019500000e-01 -1.6435250000e+00  4.3139800000e+00 -9.0697900000e-01 -2.0393430000e+00  4.0690950000e+00 -1.9128700000e-01 -7.2796600000e-01 -3.8266530000e+00  3.0704900000e-01  1.6345320000e+00 -4.2591220000e+00 -4.3681900000e-01  2.0538930000e+00 -3.6643280000e+00  1.5679000000e-02  7.3732100000e-01
-ENERGY -1.526541251056e+02
-FORCES  3.3076000000e-03 -2.6719000000e-03  2.1879000000e-03 -2.1691000000e-03  2.8141000000e-03  1.5975000000e-03 -1.1179000000e-03 -1.3200000000e-04 -3.7757000000e-03 -1.0183000000e-03 -4.1821000000e-03 -2.0654000000e-03  1.7553000000e-03  3.0207000000e-03 -1.6669000000e-03 -7.5760000000e-04  1.1512000000e-03  3.7226000000e-03
-
-JOB 83
-COORDS  3.5478340000e+00 -1.7852130000e+00 -1.4480500000e+00  2.7497200000e+00 -1.2787760000e+00 -1.2971630000e+00  4.1967210000e+00 -1.1355990000e+00 -1.7185680000e+00 -3.5535230000e+00  1.6853770000e+00  1.4888440000e+00 -4.0274000000e+00  2.4585850000e+00  1.1825410000e+00 -2.7317010000e+00  1.6976040000e+00  9.9824200000e-01
-ENERGY -1.526538758201e+02
-FORCES -5.5530000000e-04  4.6337000000e-03 -4.6200000000e-04  3.2176000000e-03 -1.9816000000e-03 -6.3310000000e-04 -2.6972000000e-03 -2.6268000000e-03  1.1038000000e-03  1.3001000000e-03  3.2235000000e-03 -3.2023000000e-03  1.9867000000e-03 -3.1710000000e-03  1.2369000000e-03 -3.2518000000e-03 -7.7800000000e-05  1.9568000000e-03
-
-JOB 84
-COORDS  1.8424650000e+00  3.3133360000e+00 -2.5131780000e+00  2.4627750000e+00  3.8537210000e+00 -3.0024950000e+00  1.4460290000e+00  3.9144080000e+00 -1.8824780000e+00 -1.8483990000e+00 -3.3755350000e+00  2.5746780000e+00 -2.6199080000e+00 -3.6196190000e+00  2.0633770000e+00 -1.1854920000e+00 -3.1573850000e+00  1.9195460000e+00
-ENERGY -1.526542287044e+02
-FORCES  9.4810000000e-04  4.7144000000e-03  5.8380000000e-04 -2.5374000000e-03 -2.2126000000e-03  1.9899000000e-03  1.6022000000e-03 -2.4792000000e-03 -2.5858000000e-03 -3.8580000000e-04 -6.2100000000e-05 -4.8290000000e-03  3.1055000000e-03  9.7320000000e-04  2.1159000000e-03 -2.7326000000e-03 -9.3370000000e-04  2.7253000000e-03
-
-JOB 85
-COORDS -3.9723080000e+00  2.5411040000e+00  4.3597000000e-01 -3.3660720000e+00  3.2666040000e+00  2.8644100000e-01 -3.5830060000e+00  2.0480100000e+00  1.1581430000e+00  3.9097560000e+00 -2.5907760000e+00 -5.1469100000e-01  3.7417630000e+00 -1.6546220000e+00 -4.0686500000e-01  4.2538300000e+00 -2.8720610000e+00  3.3308500000e-01
-ENERGY -1.526539582854e+02
-FORCES  4.0064000000e-03  9.2790000000e-04  2.3052000000e-03 -2.4410000000e-03 -2.9715000000e-03  6.3090000000e-04 -1.5474000000e-03  2.0354000000e-03 -2.9364000000e-03  7.5860000000e-04  2.6216000000e-03  3.8535000000e-03  6.5390000000e-04 -3.7936000000e-03 -4.0230000000e-04 -1.4305000000e-03  1.1802000000e-03 -3.4508000000e-03
-
-JOB 86
-COORDS  1.1632000000e+00 -4.5491230000e+00 -1.3742860000e+00  1.1970030000e+00 -4.3151960000e+00 -4.4672600000e-01  2.0757490000e+00 -4.5222460000e+00 -1.6619750000e+00 -1.1777570000e+00  4.4867720000e+00  1.3083730000e+00 -9.4312400000e-01  4.9353590000e+00  2.1207460000e+00 -2.0032270000e+00  4.8908530000e+00  1.0408860000e+00
-ENERGY -1.526540927859e+02
-FORCES  3.8318000000e-03  1.2189000000e-03  2.6217000000e-03 -1.1810000000e-04 -1.0497000000e-03 -3.7713000000e-03 -3.7020000000e-03 -1.7160000000e-04  1.1608000000e-03 -2.4623000000e-03  3.4830000000e-03  2.1735000000e-03 -9.3150000000e-04 -1.8480000000e-03 -3.3005000000e-03  3.3821000000e-03 -1.6325000000e-03  1.1158000000e-03
-
-JOB 87
-COORDS -2.8673300000e+00  4.2309000000e+00 -1.9769000000e-01 -3.7949340000e+00  3.9990890000e+00 -1.5246400000e-01 -2.6649260000e+00  4.2294070000e+00 -1.1332440000e+00  2.8974310000e+00 -4.2706590000e+00  2.8018000000e-01  3.4824020000e+00 -3.5630600000e+00  5.5100100000e-01  2.5036730000e+00 -3.9580360000e+00 -5.3434600000e-01
-ENERGY -1.526540957274e+02
-FORCES -3.0269000000e-03 -9.1140000000e-04 -3.5994000000e-03  3.8056000000e-03  9.3940000000e-04 -2.0400000000e-04 -7.8180000000e-04 -2.6300000000e-05  3.8116000000e-03  7.6350000000e-04  4.2179000000e-03 -2.1641000000e-03 -2.3642000000e-03 -2.9161000000e-03 -1.1306000000e-03  1.6038000000e-03 -1.3035000000e-03  3.2865000000e-03
-
-JOB 88
-COORDS -1.0858090000e+00  1.2416200000e+00  5.5019260000e+00 -9.6655700000e-01  1.5481190000e+00  4.6029990000e+00 -9.0188200000e-01  2.0091100000e+00  6.0435550000e+00  1.1248520000e+00 -1.3273920000e+00 -5.4980300000e+00  5.1704100000e-01 -1.4951180000e+00 -4.7778450000e+00  7.3845600000e-01 -5.9069200000e-01 -5.9715310000e+00
-ENERGY -1.526540527532e+02
-FORCES  1.2731000000e-03  4.3861000000e-03 -1.4131000000e-03 -5.1240000000e-04 -1.2599000000e-03  3.6356000000e-03 -7.6340000000e-04 -3.1302000000e-03 -2.2253000000e-03 -4.0672000000e-03  2.2697000000e-03  9.8430000000e-04  2.4873000000e-03  7.2120000000e-04 -2.9307000000e-03  1.5826000000e-03 -2.9869000000e-03  1.9492000000e-03
-
-JOB 89
-COORDS  4.7541730000e+00  4.0460980000e+00  7.1872000000e-01  5.1333960000e+00  4.6259420000e+00  5.8264000000e-02  5.3354840000e+00  3.2857620000e+00  7.3278100000e-01 -4.8559730000e+00 -4.0718440000e+00 -6.4718000000e-01 -5.0540830000e+00 -3.3013830000e+00 -1.1795090000e+00 -3.9064420000e+00 -4.1723280000e+00 -7.1446000000e-01
-ENERGY -1.526540926846e+02
-FORCES  3.9544000000e-03 -7.0110000000e-04 -2.6030000000e-03 -1.5615000000e-03 -2.3808000000e-03  2.6819000000e-03 -2.3934000000e-03  3.0854000000e-03 -7.4800000000e-05  3.0740000000e-03  2.7745000000e-03 -2.4160000000e-03  7.9920000000e-04 -3.1615000000e-03  2.1529000000e-03 -3.8727000000e-03  3.8350000000e-04  2.5900000000e-04
-
-JOB 0
-COORDS  2.6662700000e-01 -1.1084070000e+00 -6.8395600000e-01  4.1441300000e-01 -3.1653700000e-01 -1.2009990000e+00  1.1242250000e+00 -1.5315460000e+00 -6.4259500000e-01 -3.5507100000e-01  1.1426290000e+00  7.1818800000e-01 -5.5937400000e-01  3.8761700000e-01  1.6641800000e-01  4.8803800000e-01  9.2730200000e-01  1.1169780000e+00
-ENERGY -1.526538546948e+02
-FORCES  3.7751000000e-03  5.4060000000e-03  2.5330000000e-03 -4.4437000000e-03 -2.1271000000e-03  7.4421000000e-03 -3.5425000000e-03  3.0148000000e-03 -4.0180000000e-04  4.7932000000e-03 -1.4870400000e-02 -1.1972000000e-03  4.9860000000e-04  5.8208000000e-03 -7.3563000000e-03 -1.0806000000e-03  2.7558000000e-03 -1.0199000000e-03
-
-JOB 1
-COORDS -4.9507200000e-01  1.1269840000e+00  5.6003000000e-01 -9.0870000000e-02  1.4557740000e+00 -2.4293300000e-01  2.1141100000e-01  1.1368680000e+00  1.2057980000e+00  4.2112900000e-01 -1.1952320000e+00 -5.8694400000e-01  1.2548940000e+00 -1.1894880000e+00 -1.1680100000e-01  3.5024000000e-02 -3.3926300000e-01 -4.0128200000e-01
-ENERGY -1.526527731890e+02
-FORCES  5.6850000000e-03 -1.4859000000e-03  1.0047000000e-03 -1.4736000000e-03 -1.0358800000e-02  3.2982000000e-03 -2.9600000000e-03 -1.3529000000e-03 -4.7835000000e-03 -4.8310000000e-03  1.1076700000e-02  9.5244000000e-03 -2.6715000000e-03  1.3086000000e-03 -1.0459000000e-03  6.2511000000e-03  8.1240000000e-04 -7.9980000000e-03
-
-JOB 2
-COORDS  1.1825660000e+00 -6.4774900000e-01  3.5277000000e-01  9.3790400000e-01 -1.5410870000e+00  1.1127600000e-01  4.6265400000e-01 -1.0604600000e-01  2.9480000000e-02 -1.1077710000e+00  6.5929200000e-01 -3.8104900000e-01 -1.6774180000e+00  6.8933000000e-02  1.1211400000e-01 -8.8864100000e-01  1.3548730000e+00  2.3893500000e-01
-ENERGY -1.526581398542e+02
-FORCES -1.3565200000e-02  4.8335000000e-03 -8.1635000000e-03 -2.5770000000e-04  2.5058000000e-03  1.3027000000e-03  7.1737000000e-03 -1.3466000000e-03  7.4827000000e-03 -1.7990000000e-04 -1.5575000000e-03  5.6857000000e-03  4.8540000000e-03  2.2769000000e-03 -2.7209000000e-03  1.9751000000e-03 -6.7120000000e-03 -3.5866000000e-03
-
-JOB 3
-COORDS -3.3830000000e-01 -6.5791400000e-01  1.0915850000e+00 -5.5383000000e-02 -4.6302400000e-01  1.9850090000e+00 -1.2363320000e+00 -3.2958100000e-01  1.0472210000e+00  3.5148300000e-01  6.7565000000e-01 -1.1684870000e+00  9.2003200000e-01  1.7614000000e-02 -1.5684520000e+00  2.3902200000e-01  3.7871600000e-01 -2.6548400000e-01
-ENERGY -1.526599318497e+02
-FORCES -2.2677000000e-03  1.9082000000e-03 -1.1270000000e-03 -1.7145000000e-03 -1.7730000000e-04 -5.3512000000e-03  6.7921000000e-03 -1.2110000000e-04  7.2300000000e-05 -5.1700000000e-04 -1.0424300000e-02  1.2136000000e-02 -1.2586000000e-03  1.9490000000e-03  8.8450000000e-04 -1.0343000000e-03  6.8655000000e-03 -6.6146000000e-03
-
-JOB 4
-COORDS -6.5877000000e-02  8.3031100000e-01  1.1279380000e+00 -8.8743500000e-01  1.0534120000e+00  6.9033200000e-01 -3.1625100000e-01  1.9575400000e-01  1.7994150000e+00  1.1731700000e-01 -7.6572200000e-01 -1.1852930000e+00 -9.3631000000e-02 -6.5490000000e-01 -2.5822700000e-01  3.7137900000e-01 -1.6851080000e+00 -1.2653670000e+00
-ENERGY -1.526550492763e+02
-FORCES -3.3859000000e-03  2.6694000000e-03 -1.3870000000e-04  5.0664000000e-03 -4.4580000000e-03  1.8454000000e-03  1.8888000000e-03  4.2310000000e-04 -6.9874000000e-03  2.1942000000e-03  3.0093000000e-03  8.1491000000e-03 -4.8897000000e-03 -5.3773000000e-03 -5.1075000000e-03 -8.7360000000e-04  3.7335000000e-03  2.2391000000e-03
-
-JOB 5
-COORDS -3.5646600000e-01 -1.0055460000e+00 -8.9238300000e-01 -1.2607740000e+00 -1.3156940000e+00 -8.4477800000e-01 -2.8137200000e-01 -6.1765400000e-01 -1.7642390000e+00  4.4816500000e-01  1.0102200000e+00  9.8311300000e-01  4.1787600000e-01  3.4503200000e-01  2.9548100000e-01 -3.8896300000e-01  1.4686790000e+00  9.1056000000e-01
-ENERGY -1.526596634919e+02
-FORCES -4.2886000000e-03 -2.2540000000e-04 -6.2610000000e-04  4.1585000000e-03  1.8883000000e-03 -1.5750000000e-03 -5.1520000000e-04 -6.0900000000e-04  5.6887000000e-03 -6.0848000000e-03 -7.7790000000e-03 -7.3782000000e-03  4.5300000000e-03  7.4821000000e-03  3.4641000000e-03  2.2002000000e-03 -7.5700000000e-04  4.2650000000e-04
-
-JOB 6
-COORDS  9.1099000000e-01  1.0753880000e+00 -4.6320500000e-01  6.9690100000e-01  1.4879270000e+00  3.7358000000e-01  7.4573300000e-01  1.4341800000e-01 -3.2054200000e-01 -8.4090100000e-01 -1.0096840000e+00  4.4154700000e-01 -9.0599600000e-01 -1.9447780000e+00  2.4765600000e-01 -1.6378350000e+00 -6.3149100000e-01  6.9932000000e-02
-ENERGY -1.526598550438e+02
-FORCES -5.6754000000e-03 -7.7687000000e-03  7.0359000000e-03  6.0000000000e-04  3.9540000000e-04 -3.0505000000e-03  5.2696000000e-03  4.6714000000e-03 -3.8399000000e-03 -4.4269000000e-03  5.7630000000e-04 -2.5295000000e-03  7.8020000000e-04  4.9230000000e-03 -4.0000000000e-07  3.4524000000e-03 -2.7974000000e-03  2.3844000000e-03
-
-JOB 7
-COORDS  9.7818500000e-01  4.0078400000e-01  9.3954200000e-01  1.9290140000e+00  2.9235200000e-01  9.1960900000e-01  6.6234000000e-01 -3.4427600000e-01  1.4507750000e+00 -1.0727300000e+00 -3.5747000000e-01 -9.9050100000e-01 -5.4233200000e-01 -1.1355600000e+00 -8.1878600000e-01 -5.1474000000e-01  3.7551000000e-01 -7.3046400000e-01
-ENERGY -1.526581767220e+02
-FORCES  9.5870000000e-04 -3.3974000000e-03  2.8274000000e-03 -4.8172000000e-03 -4.3990000000e-04 -2.8030000000e-04  2.3792000000e-03  2.6717000000e-03 -3.4638000000e-03  9.6131000000e-03  2.3496000000e-03  5.1670000000e-03 -2.6542000000e-03  3.7910000000e-04  1.1000000000e-05 -5.4796000000e-03 -1.5631000000e-03 -4.2614000000e-03
-
-JOB 8
-COORDS -1.3972380000e+00 -1.7820100000e-01 -3.6620400000e-01 -7.3186900000e-01  3.2198100000e-01  1.0637700000e-01 -2.1569260000e+00 -1.7708100000e-01  2.1612300000e-01  1.3398390000e+00  1.4668300000e-01  3.3336600000e-01  1.7152690000e+00 -3.7236900000e-01 -3.7787800000e-01  2.0486120000e+00  7.2993800000e-01  6.0482100000e-01
-ENERGY -1.526602515991e+02
-FORCES  5.7674000000e-03  1.9959000000e-03  4.7504000000e-03 -9.0508000000e-03 -6.9840000000e-04 -2.2915000000e-03  3.3543000000e-03  5.0860000000e-04 -1.2586000000e-03  2.9658000000e-03 -2.3108000000e-03 -3.6935000000e-03  1.9610000000e-04  3.2896000000e-03  3.9105000000e-03 -3.2327000000e-03 -2.7849000000e-03 -1.4173000000e-03
-
-JOB 9
-COORDS -9.5527300000e-01  7.6511000000e-01 -7.1739700000e-01 -1.8044100000e-01  7.0904300000e-01 -1.2766150000e+00 -1.6926120000e+00  7.6023700000e-01 -1.3277580000e+00  9.7665200000e-01 -7.8832600000e-01  8.3829600000e-01  1.1916150000e+00 -9.3177600000e-01 -8.3357000000e-02  2.6723400000e-01 -1.4591100000e-01  8.2208900000e-01
-ENERGY -1.526565870696e+02
-FORCES -9.5890000000e-04 -7.2030000000e-04 -4.2644000000e-03 -2.5584000000e-03 -1.8218000000e-03  4.1267000000e-03  4.1607000000e-03  6.6200000000e-05  1.8305000000e-03 -7.4424000000e-03  3.1706000000e-03 -5.1988000000e-03  2.1450000000e-04  1.6281000000e-03  1.6201000000e-03  6.5846000000e-03 -2.3227000000e-03  1.8858000000e-03
-
-JOB 10
-COORDS -2.0929700000e-01 -5.9215200000e-01  1.3739700000e+00  3.1684500000e-01 -1.9125600000e-01  6.8209600000e-01 -4.8157700000e-01 -1.4348250000e+00  1.0106570000e+00  1.8853200000e-01  6.3264000000e-01 -1.2406540000e+00  7.0294000000e-02 -2.0625500000e-01 -1.6861940000e+00  3.9357400000e-01  1.2503420000e+00 -1.9425330000e+00
-ENERGY -1.526572924534e+02
-FORCES  1.0388000000e-03  2.7390000000e-03 -8.0051000000e-03 -9.6510000000e-04 -5.9490000000e-03  5.5900000000e-03  1.0364000000e-03  2.7635000000e-03  3.0950000000e-04 -8.0750000000e-04  6.7860000000e-04 -4.1357000000e-03  1.3751000000e-03  3.2708000000e-03  3.7548000000e-03 -1.6777000000e-03 -3.5030000000e-03  2.4865000000e-03
-
-JOB 11
-COORDS  9.3634900000e-01 -9.1770600000e-01  5.8246400000e-01  1.3203220000e+00 -4.8506800000e-01  1.3451050000e+00  1.6879480000e+00 -1.2472540000e+00  8.9788000000e-02 -1.0045210000e+00  9.1743700000e-01 -6.6501300000e-01 -4.2724800000e-01  3.5045700000e-01 -1.5362000000e-01 -1.4621330000e+00  1.4462130000e+00 -1.1393000000e-02
-ENERGY -1.526609639040e+02
-FORCES  5.6188000000e-03 -8.1890000000e-04 -7.7300000000e-04 -2.6318000000e-03 -1.2733000000e-03 -4.2189000000e-03 -2.8374000000e-03  1.3772000000e-03  3.6390000000e-03  4.4669000000e-03 -5.3483000000e-03  5.3025000000e-03 -6.9949000000e-03  8.0792000000e-03 -2.6490000000e-03  2.3784000000e-03 -2.0158000000e-03 -1.3006000000e-03
-
-JOB 12
-COORDS  1.9896100000e-01 -2.5021400000e-01  1.4902200000e+00  4.7185400000e-01  5.7278000000e-02  6.2580700000e-01  8.4013000000e-02 -1.1945060000e+00  1.3837720000e+00 -1.5843000000e-01  2.5842300000e-01 -1.4227850000e+00 -1.0755790000e+00 -1.4958000000e-02 -1.4045240000e+00 -1.8544600000e-01  1.1698890000e+00 -1.7138740000e+00
-ENERGY -1.526601092858e+02
-FORCES  7.4410000000e-04 -1.4554000000e-03 -9.8676000000e-03  1.0184000000e-03 -4.3030000000e-04  8.8095000000e-03 -5.2530000000e-04  2.8602000000e-03  7.6240000000e-04 -5.8580000000e-03  2.2118000000e-03 -9.6420000000e-04  4.5453000000e-03  1.1037000000e-03 -7.4840000000e-04  7.5500000000e-05 -4.2899000000e-03  2.0082000000e-03
-
-JOB 13
-COORDS -7.0527400000e-01  1.0264880000e+00  8.7020000000e-01 -1.7028500000e-01  6.2562500000e-01  1.8512600000e-01 -1.5680450000e+00  1.1328560000e+00  4.6951900000e-01  7.0454500000e-01 -9.4502500000e-01 -8.3268800000e-01  1.5584030000e+00 -1.3641610000e+00 -9.3985400000e-01  1.5928500000e-01 -1.6137200000e+00 -4.1823700000e-01
-ENERGY -1.526609996860e+02
-FORCES  2.8365000000e-03 -2.7225000000e-03 -6.9388000000e-03 -6.4565000000e-03  4.3833000000e-03  5.7968000000e-03  2.8763000000e-03 -1.3417000000e-03  1.3006000000e-03  2.4466000000e-03 -4.6677000000e-03  1.8235000000e-03 -4.3369000000e-03  5.7410000000e-04  5.1750000000e-04  2.6339000000e-03  3.7746000000e-03 -2.4997000000e-03
-
-JOB 14
-COORDS  1.2046500000e+00  2.7613600000e-01  8.6426000000e-01  1.0562170000e+00  2.8608800000e-01  1.8098290000e+00  3.3456100000e-01  3.9524300000e-01  4.8348400000e-01 -1.1313230000e+00 -2.3382300000e-01 -8.8418800000e-01 -1.7088950000e+00 -7.4586400000e-01 -3.1809900000e-01 -9.7633300000e-01 -7.9775700000e-01 -1.6419400000e+00
-ENERGY -1.526595500066e+02
-FORCES -6.9350000000e-03  1.6500000000e-05 -3.0192000000e-03 -7.8770000000e-04 -6.1850000000e-04 -3.6387000000e-03  6.1149000000e-03  1.4918000000e-03  7.8422000000e-03  5.2500000000e-04 -5.9894000000e-03 -2.8058000000e-03  3.5007000000e-03  2.9941000000e-03 -1.6311000000e-03 -2.4179000000e-03  2.1056000000e-03  3.2526000000e-03
-
-JOB 15
-COORDS  1.0831240000e+00 -2.1198000000e-02 -1.0797610000e+00  1.6045420000e+00  6.5783200000e-01 -6.5165600000e-01  1.7644300000e-01  2.0832900000e-01 -8.7610100000e-01 -1.1037070000e+00  4.0170000000e-03  1.0608050000e+00 -1.8508700000e-01 -2.4674000000e-02  1.3282880000e+00 -1.1889820000e+00 -7.0119800000e-01  4.1921900000e-01
-ENERGY -1.526560229827e+02
-FORCES -3.3253000000e-03  6.4056000000e-03  2.7312000000e-03 -1.9058000000e-03 -3.6980000000e-03 -6.3580000000e-04  3.7336000000e-03 -5.2903000000e-03 -7.5210000000e-04  4.7381000000e-03 -6.3788000000e-03  7.6890000000e-04 -4.0994000000e-03  2.6459000000e-03 -1.9568000000e-03  8.5880000000e-04  6.3156000000e-03 -1.5530000000e-04
-
-JOB 16
-COORDS -4.3874700000e-01 -1.2418470000e+00 -5.4316900000e-01 -1.3387510000e+00 -1.5493060000e+00 -4.3503600000e-01 -1.9349300000e-01 -1.5226770000e+00 -1.4247680000e+00  5.3605000000e-01  1.2811680000e+00  6.1172500000e-01  1.4204200000e-01  5.7864200000e-01  9.4573000000e-02 -1.6084100000e-01  1.9307700000e+00  7.0441300000e-01
-ENERGY -1.526609009404e+02
-FORCES -2.1992000000e-03 -3.6496000000e-03 -2.1052000000e-03  4.2809000000e-03  1.5333000000e-03 -1.3275000000e-03 -1.9337000000e-03  1.4253000000e-03  4.3410000000e-03 -5.0014000000e-03 -6.3205000000e-03 -3.4870000000e-03  3.1951000000e-03  9.6726000000e-03  3.0424000000e-03  1.6584000000e-03 -2.6611000000e-03 -4.6370000000e-04
-
-JOB 17
-COORDS  5.3291900000e-01  1.3214820000e+00  3.3514800000e-01  1.0732210000e+00  2.1115700000e+00  3.4333000000e-01  7.1533400000e-01  9.1476200000e-01 -5.1192600000e-01 -5.9596700000e-01 -1.3606150000e+00 -3.4707900000e-01  1.3441300000e-01 -1.7456370000e+00  1.3721000000e-01 -9.2652900000e-01 -6.6939500000e-01  2.2665900000e-01
-ENERGY -1.526597546598e+02
-FORCES  2.2679000000e-03  1.0123000000e-03 -4.1435000000e-03 -1.6511000000e-03 -3.8647000000e-03 -9.4820000000e-04  2.0670000000e-04  3.8551000000e-03  5.0498000000e-03  9.7900000000e-04  2.3959000000e-03  7.2751000000e-03 -2.3115000000e-03  1.1231000000e-03 -3.0222000000e-03  5.0900000000e-04 -4.5217000000e-03 -4.2110000000e-03
-
-JOB 18
-COORDS  1.1309860000e+00  9.7272000000e-01  1.0073200000e-01  1.3319800000e+00  1.7726850000e+00  5.8641600000e-01  3.1054200000e-01  6.6017800000e-01  4.8207400000e-01 -1.0634250000e+00 -9.5189600000e-01 -2.0415700000e-01 -6.2856300000e-01 -1.5885060000e+00  3.6316500000e-01 -1.9884030000e+00 -1.0095260000e+00  3.5273000000e-02
-ENERGY -1.526576456684e+02
-FORCES -5.9608000000e-03 -8.8290000000e-04  7.5720000000e-04 -1.8806000000e-03 -3.3096000000e-03 -1.6596000000e-03  7.5752000000e-03  3.8338000000e-03  2.9689000000e-03 -2.1399000000e-03 -5.4406000000e-03  2.0030000000e-04 -2.3792000000e-03  5.0136000000e-03 -1.5976000000e-03  4.7855000000e-03  7.8580000000e-04 -6.6920000000e-04
-
-JOB 19
-COORDS -2.9968300000e-01  1.7463500000e-01  1.4786370000e+00  2.4767700000e-01 -3.6749500000e-01  2.0467250000e+00  2.6486300000e-01  3.9060500000e-01  7.3642500000e-01  2.0346500000e-01 -9.6325000000e-02 -1.4477320000e+00  3.4317200000e-01 -8.9284900000e-01 -9.3561500000e-01  6.3678900000e-01 -2.6928700000e-01 -2.2835230000e+00
-ENERGY -1.526568281637e+02
-FORCES  3.6947000000e-03  2.2936000000e-03 -2.5211000000e-03 -2.0598000000e-03  1.2022000000e-03 -3.7605000000e-03 -1.6363000000e-03 -4.9303000000e-03  6.1076000000e-03  8.6100000000e-05 -4.5227000000e-03 -2.9411000000e-03  2.2107000000e-03  6.0579000000e-03 -8.9580000000e-04 -2.2954000000e-03 -1.0070000000e-04  4.0109000000e-03
-
-JOB 20
-COORDS -6.5673400000e-01  1.0266620000e+00 -8.3260300000e-01 -1.0861010000e+00  1.3319390000e+00 -3.3427000000e-02 -2.6368100000e-01  1.8138360000e+00 -1.2095630000e+00  6.8248300000e-01 -1.1408500000e+00  8.1574300000e-01  2.2498200000e-01 -8.1010700000e-01  4.2739000000e-02  6.3583700000e-01 -4.2329300000e-01  1.4475410000e+00
-ENERGY -1.526586069046e+02
-FORCES  2.4660000000e-04  5.5199000000e-03  5.1700000000e-04  3.4244000000e-03 -2.3015000000e-03 -2.9310000000e-03 -2.4128000000e-03 -3.0614000000e-03  2.3771000000e-03 -2.9539000000e-03  7.8552000000e-03 -4.5164000000e-03  1.9863000000e-03 -5.7789000000e-03  5.3001000000e-03 -2.9070000000e-04 -2.2333000000e-03 -7.4670000000e-04
-
-JOB 21
-COORDS -6.8502600000e-01  1.2816470000e+00  3.2029400000e-01 -1.3718730000e+00  1.0090930000e+00  9.2872500000e-01 -4.7656000000e-02  1.7402720000e+00  8.6770200000e-01  7.5415500000e-01 -1.2948860000e+00 -4.0355700000e-01  3.6257300000e-01 -4.9058000000e-01 -6.2988000000e-02  1.0159300000e-01 -1.9727030000e+00 -2.2760500000e-01
-ENERGY -1.526599263154e+02
-FORCES -2.2644000000e-03  4.5802000000e-03  4.3982000000e-03  4.4200000000e-03 -1.6600000000e-05 -3.1835000000e-03 -3.0258000000e-03 -4.0357000000e-03 -2.8660000000e-03 -6.7442000000e-03  5.9115000000e-03  1.4808000000e-03  5.7820000000e-03 -8.8429000000e-03  2.6380000000e-04  1.8324000000e-03  2.4035000000e-03 -9.3400000000e-05
-
-JOB 22
-COORDS -8.5183600000e-01 -6.5403500000e-01  1.1404910000e+00 -7.7338100000e-01 -1.3461500000e-01  3.4031600000e-01 -1.5873100000e-01 -1.3103840000e+00  1.0694730000e+00  7.4700700000e-01  6.7209600000e-01 -1.0897750000e+00  1.4512110000e+00  1.3160700000e+00 -1.0147710000e+00  1.1977140000e+00 -1.6249600000e-01 -1.2184280000e+00
-ENERGY -1.526579838869e+02
-FORCES  5.6060000000e-03  3.1818000000e-03 -6.3049000000e-03 -3.9682000000e-03 -5.1945000000e-03  4.8098000000e-03 -1.9195000000e-03  1.3577000000e-03  6.8900000000e-05  5.8483000000e-03  1.0180000000e-03  4.1850000000e-04 -2.4968000000e-03 -3.5183000000e-03 -1.0654000000e-03 -3.0697000000e-03  3.1553000000e-03  2.0732000000e-03
-
-JOB 23
-COORDS  4.2801700000e-01  1.2046370000e+00  8.2046900000e-01 -1.5490600000e-01  1.9230770000e+00  1.0659830000e+00 -6.1168000000e-02  4.1227100000e-01  1.0420230000e+00 -3.9395200000e-01 -1.2566500000e+00 -8.1107000000e-01 -7.2026300000e-01 -3.5797300000e-01 -7.6488600000e-01  3.2689800000e-01 -1.2182200000e+00 -1.4396630000e+00
-ENERGY -1.526569534250e+02
-FORCES -1.7875000000e-03 -2.0821000000e-03  4.3167000000e-03  1.7676000000e-03 -4.0193000000e-03 -2.2452000000e-03 -2.4440000000e-04  6.2110000000e-03 -3.2849000000e-03  4.4238000000e-03  6.0052000000e-03 -3.9999000000e-03 -7.0540000000e-04 -4.8316000000e-03  3.4261000000e-03 -3.4541000000e-03 -1.2831000000e-03  1.7872000000e-03
-
-JOB 24
-COORDS  1.0491820000e+00  6.7299300000e-01  9.5837300000e-01  1.7618600000e-01  7.3600000000e-01  5.7089400000e-01  1.0818630000e+00 -2.0657800000e-01  1.3345640000e+00 -1.0056830000e+00 -5.5844300000e-01 -9.4800500000e-01 -2.9060100000e-01 -1.1817910000e+00 -8.2022200000e-01 -1.7212900000e+00 -1.0841250000e+00 -1.3054900000e+00
-ENERGY -1.526581157192e+02
-FORCES -6.4702000000e-03 -2.3565000000e-03 -9.9850000000e-04  6.5137000000e-03  5.0020000000e-04  3.6916000000e-03  4.8760000000e-04  2.1900000000e-03 -2.5994000000e-03 -3.1080000000e-04 -4.6647000000e-03 -2.8640000000e-03 -4.1154000000e-03  2.7484000000e-03  1.2935000000e-03  3.8952000000e-03  1.5827000000e-03  1.4768000000e-03
-
-JOB 25
-COORDS -1.2728430000e+00 -2.0370700000e-01  8.3914200000e-01 -1.5356480000e+00 -1.0943330000e+00  1.0714170000e+00 -3.4921600000e-01 -2.8070900000e-01  5.9994100000e-01  1.2062020000e+00  2.5051200000e-01 -7.9225600000e-01  9.0318000000e-01  5.3121500000e-01 -1.6557460000e+00  2.1554800000e+00  1.7035600000e-01 -8.8540800000e-01
-ENERGY -1.526607183449e+02
-FORCES  6.2114000000e-03 -2.1029000000e-03 -2.2286000000e-03  1.3673000000e-03  2.8869000000e-03 -1.0302000000e-03 -7.9873000000e-03 -1.7114000000e-03  4.9183000000e-03  1.6625000000e-03  1.9519000000e-03 -4.6957000000e-03  3.0090000000e-03 -1.4229000000e-03  3.3705000000e-03 -4.2629000000e-03  3.9860000000e-04 -3.3420000000e-04
-
-JOB 26
-COORDS -4.8080400000e-01  1.3083670000e+00 -5.0174500000e-01 -7.7650000000e-01  1.1534180000e+00 -1.3988440000e+00 -5.8797500000e-01  2.2508130000e+00 -3.7313600000e-01  4.4257000000e-01 -1.3568720000e+00  5.7041500000e-01  9.0796000000e-01 -1.9378050000e+00 -3.1383000000e-02  9.3408800000e-01 -5.3607300000e-01  5.3989600000e-01
-ENERGY -1.526555320996e+02
-FORCES -3.7300000000e-03  1.3748000000e-03 -3.8374000000e-03  1.6996000000e-03  1.6502000000e-03  3.4803000000e-03  7.8650000000e-04 -4.5523000000e-03 -2.3050000000e-04  2.2350000000e-03  5.2903000000e-03 -2.9322000000e-03 -2.2473000000e-03  2.4341000000e-03  1.6194000000e-03  1.2561000000e-03 -6.1970000000e-03  1.9004000000e-03
-
-JOB 27
-COORDS  2.0988700000e-01  1.3841670000e+00  7.6535900000e-01 -1.1029800000e-01  1.8271150000e+00 -2.0459000000e-02 -2.5292000000e-02  4.6542100000e-01  6.3563500000e-01 -1.3545600000e-01 -1.3549870000e+00 -7.6204800000e-01 -1.0496970000e+00 -1.0906830000e+00 -8.6471200000e-01 -8.3251000000e-02 -1.6968500000e+00  1.3049600000e-01
-ENERGY -1.526549326034e+02
-FORCES -3.8050000000e-04 -4.6833000000e-03 -7.8772000000e-03  2.7340000000e-04 -6.8150000000e-04  3.4636000000e-03 -1.8543000000e-03  2.7841000000e-03  5.4464000000e-03 -3.2618000000e-03 -3.9902000000e-03  8.7860000000e-04  5.5923000000e-03  9.9430000000e-04  1.8042000000e-03 -3.6910000000e-04  5.5766000000e-03 -3.7154000000e-03
-
-JOB 28
-COORDS  2.5233400000e-01 -1.4989620000e+00  3.5680800000e-01  6.6073100000e-01 -1.8464050000e+00 -4.3611500000e-01  8.4468900000e-01 -8.0566600000e-01  6.4782000000e-01 -2.5067900000e-01  1.5039700000e+00 -3.5826300000e-01 -8.5536500000e-01  2.0041170000e+00  1.8986100000e-01 -6.1681300000e-01  6.1971000000e-01 -3.7441300000e-01
-ENERGY -1.526600517583e+02
-FORCES  6.8607000000e-03  2.2570000000e-04 -5.8180000000e-04 -2.4000000000e-03  2.0986000000e-03  3.2467000000e-03 -4.2509000000e-03 -4.0912000000e-03 -1.7353000000e-03 -5.1907000000e-03 -3.3180000000e-03  1.5425000000e-03  2.4379000000e-03 -2.2819000000e-03 -1.8420000000e-03  2.5429000000e-03  7.3668000000e-03 -6.3000000000e-04
-
-JOB 29
-COORDS  2.5216900000e-01 -4.8031400000e-01  1.5157810000e+00  1.3821400000e-01 -7.7692100000e-01  6.1285800000e-01  2.3248000000e-01  4.7499000000e-01  1.4588650000e+00 -2.7532000000e-01  4.7021300000e-01 -1.4058740000e+00  5.1890000000e-01  7.4789900000e-01 -1.8623140000e+00 -6.0045600000e-01 -2.6983100000e-01 -1.9185660000e+00
-ENERGY -1.526583855031e+02
-FORCES -2.1289000000e-03  5.4635000000e-03 -8.4821000000e-03  1.0635000000e-03 -3.9130000000e-03  4.9561000000e-03  1.2043000000e-03 -2.6371000000e-03  2.9568000000e-03  1.2279000000e-03 -7.2200000000e-05 -5.6919000000e-03 -3.7961000000e-03 -1.5156000000e-03  2.5221000000e-03  2.4293000000e-03  2.6745000000e-03  3.7390000000e-03
-
-JOB 30
-COORDS  1.4013230000e+00 -3.4917200000e-01 -6.4156800000e-01  2.3250140000e+00 -2.9688700000e-01 -3.9602100000e-01  9.3809600000e-01  8.9445000000e-02  7.2063000000e-02 -1.4114400000e+00  2.8778900000e-01  5.2064900000e-01 -2.0938440000e+00  2.8467000000e-02  1.1397690000e+00 -1.0390630000e+00  1.0863900000e+00  8.9455100000e-01
-ENERGY -1.526543104377e+02
-FORCES -1.3862000000e-03  8.7690000000e-04  4.0438000000e-03 -4.2256000000e-03 -6.2800000000e-05 -5.6100000000e-04  5.5995000000e-03  1.5941000000e-03 -2.2013000000e-03 -4.4933000000e-03  1.3970000000e-03  3.7509000000e-03  2.8397000000e-03  1.6353000000e-03 -2.9592000000e-03  1.6658000000e-03 -5.4404000000e-03 -2.0731000000e-03
-
-JOB 31
-COORDS  7.3134600000e-01  1.0131170000e+00 -1.0740140000e+00  7.3662800000e-01  7.7971000000e-02 -8.6979500000e-01 -7.8070000000e-02  1.3399610000e+00 -6.8126600000e-01 -7.3779900000e-01 -1.0136430000e+00  1.0370340000e+00 -4.7940200000e-01 -4.2103300000e-01  1.7429210000e+00 -1.6435000000e-02 -9.6831600000e-01  4.0949000000e-01
-ENERGY -1.526502774269e+02
-FORCES -5.7920000000e-03 -2.0627000000e-03  1.5411000000e-03 -7.5210000000e-04 -1.5610000000e-04  4.3546000000e-03  4.9366000000e-03 -6.8560000000e-04 -1.4139000000e-03  5.0296000000e-03  2.4082000000e-03  2.2429000000e-03 -2.0240000000e-03 -2.4855000000e-03 -3.7302000000e-03 -1.3982000000e-03  2.9818000000e-03 -2.9944000000e-03
-
-JOB 32
-COORDS -6.8688000000e-01 -1.2133530000e+00 -8.4889900000e-01 -2.5766700000e-01 -4.6944100000e-01 -4.2628300000e-01 -6.5285800000e-01 -1.9126150000e+00 -1.9613000000e-01  7.1256100000e-01  1.2002460000e+00  7.4993400000e-01  2.8581000000e-02  1.8628290000e+00  6.5304800000e-01  4.9482300000e-01  7.4795600000e-01  1.5649530000e+00
-ENERGY -1.526591381744e+02
-FORCES  4.7169000000e-03  2.9342000000e-03  4.4182000000e-03 -6.1810000000e-03 -7.0386000000e-03 -2.7167000000e-03 -2.4400000000e-04  2.8737000000e-03 -1.6649000000e-03 -1.6032000000e-03  5.1000000000e-03  5.3515000000e-03  3.1459000000e-03 -4.4259000000e-03  2.3270000000e-04  1.6540000000e-04  5.5660000000e-04 -5.6208000000e-03
-
-JOB 33
-COORDS -2.6265100000e-01 -3.5060300000e-01  1.5356850000e+00 -2.5654100000e-01 -1.3077190000e+00  1.5468350000e+00  6.5633900000e-01 -1.0599600000e-01  1.4268010000e+00  1.8635700000e-01  4.2056700000e-01 -1.5729170000e+00  1.1313080000e+00  3.3761700000e-01 -1.4447760000e+00 -1.9740700000e-01 -1.3940000000e-01 -8.9808800000e-01
-ENERGY -1.526559436888e+02
-FORCES  4.0779000000e-03 -1.5890000000e-03  3.9429000000e-03  4.5200000000e-05  5.0661000000e-03 -2.1765000000e-03 -4.4048000000e-03 -2.1015000000e-03 -1.4380000000e-03  1.1240000000e-04 -2.4047000000e-03  5.7374000000e-03 -3.3384000000e-03  2.4230000000e-04  5.2530000000e-04  3.5077000000e-03  7.8690000000e-04 -6.5911000000e-03
-
-JOB 34
-COORDS -6.0566300000e-01 -1.0694750000e+00 -1.1657140000e+00 -1.4877700000e-01 -1.6349550000e+00 -5.4304200000e-01 -3.8979100000e-01 -1.8008500000e-01 -8.8532900000e-01  5.1155000000e-01  1.0642370000e+00  1.0952230000e+00  7.2989800000e-01  9.0556800000e-01  2.0135800000e+00  1.3406340000e+00  9.5595500000e-01  6.2925500000e-01
-ENERGY -1.526571608534e+02
-FORCES  1.6752000000e-03  3.1822000000e-03  6.8990000000e-03 -9.6830000000e-04  8.4570000000e-04 -3.0795000000e-03  5.4660000000e-04 -4.1095000000e-03 -5.1931000000e-03  4.3245000000e-03  3.1210000000e-04  4.6581000000e-03 -3.1830000000e-04  6.9070000000e-04 -4.2403000000e-03 -5.2597000000e-03 -9.2120000000e-04  9.5580000000e-04
-
-JOB 35
-COORDS -6.7694800000e-01 -8.8507400000e-01 -1.1768630000e+00 -2.9770300000e-01 -1.6713820000e+00 -7.8427600000e-01 -7.5711800000e-01 -1.0960330000e+00 -2.1070790000e+00  6.1183200000e-01  9.3066700000e-01  1.2313500000e+00  8.0506800000e-01  1.1309930000e+00  3.1551000000e-01  1.4707100000e+00  8.6057900000e-01  1.6480610000e+00
-ENERGY -1.526553885086e+02
-FORCES  1.3860000000e-04 -5.5040000000e-03 -6.2710000000e-04 -1.3960000000e-03  2.8687000000e-03 -2.9696000000e-03  7.4900000000e-04  1.4085000000e-03  4.1506000000e-03  2.6711000000e-03  6.4800000000e-04 -4.0997000000e-03  1.3402000000e-03  1.0149000000e-03  5.3783000000e-03 -3.5030000000e-03 -4.3630000000e-04 -1.8325000000e-03
-
-JOB 36
-COORDS -1.5457910000e+00  6.6452200000e-01 -1.1586800000e-01 -1.8920860000e+00  1.0160200000e+00 -9.3608800000e-01 -7.7556000000e-01  1.5988600000e-01 -3.7724800000e-01  1.4922320000e+00 -6.0002600000e-01  1.6310900000e-01  2.3677480000e+00 -7.4096400000e-01  5.2344300000e-01  1.1780590000e+00 -1.4776670000e+00 -5.4315000000e-02
-ENERGY -1.526566793291e+02
-FORCES  4.4428000000e-03  3.8300000000e-05 -3.3102000000e-03  1.3467000000e-03 -1.4760000000e-03  3.0806000000e-03 -7.1267000000e-03  1.9000000000e-06 -8.0420000000e-04  5.0359000000e-03 -3.5449000000e-03  2.7502000000e-03 -3.5393000000e-03 -2.4680000000e-04 -1.7686000000e-03 -1.5940000000e-04  5.2276000000e-03  5.2200000000e-05
-
-JOB 37
-COORDS -1.3317700000e-01 -1.6189270000e+00 -3.8662000000e-02  7.5712400000e-01 -1.9541250000e+00 -1.4466700000e-01 -6.7739600000e-01 -2.2171550000e+00 -5.5069900000e-01  1.4759200000e-01  1.6966880000e+00  8.0546000000e-02 -6.2130500000e-01  1.4487150000e+00  5.9390700000e-01  6.6674000000e-02  1.1948530000e+00 -7.3053100000e-01
-ENERGY -1.526566694293e+02
-FORCES  2.8323000000e-03 -5.0025000000e-03 -1.0767000000e-03 -4.2806000000e-03  1.0371000000e-03 -1.8800000000e-04  2.2617000000e-03  3.3764000000e-03  1.9697000000e-03 -3.9065000000e-03 -7.1819000000e-03 -5.8230000000e-04  2.1866000000e-03  3.2503000000e-03 -1.4730000000e-03  9.0650000000e-04  4.5206000000e-03  1.3503000000e-03
-
-JOB 38
-COORDS -8.2096900000e-01  1.3962070000e+00  2.7107100000e-01 -1.5994660000e+00  1.9345990000e+00  1.2856100000e-01 -7.2728200000e-01  1.3569420000e+00  1.2228660000e+00  8.1464000000e-01 -1.4764860000e+00 -3.3763700000e-01  6.7265800000e-01 -5.3004200000e-01 -3.5544700000e-01  1.7110350000e+00 -1.5787090000e+00 -1.7860000000e-02
-ENERGY -1.526583462131e+02
-FORCES -5.1804000000e-03  2.6902000000e-03  2.9974000000e-03  3.2041000000e-03 -1.8265000000e-03  1.4987000000e-03  2.5960000000e-04  4.0560000000e-04 -4.4156000000e-03  1.2154000000e-03  5.0428000000e-03  1.8110000000e-04  4.0162000000e-03 -6.9510000000e-03  4.8480000000e-04 -3.5149000000e-03  6.3890000000e-04 -7.4640000000e-04
-
-JOB 39
-COORDS -3.7757100000e-01  1.2632870000e+00  1.0432950000e+00 -2.5664300000e-01  1.2522090000e+00  9.3829000000e-02 -5.3042800000e-01  2.1841770000e+00  1.2550240000e+00  4.0148200000e-01 -1.3593870000e+00 -9.6372000000e-01  7.9479600000e-01 -4.8674400000e-01 -9.6917900000e-01 -2.9229500000e-01 -1.3140480000e+00 -1.6216330000e+00
-ENERGY -1.526515038295e+02
-FORCES -9.8720000000e-04  3.6130000000e-03 -2.4665000000e-03  1.5239000000e-03 -4.2590000000e-04  2.5498000000e-03  5.6500000000e-04 -4.4299000000e-03 -9.3610000000e-04 -7.5020000000e-04  2.4442000000e-03 -1.6944000000e-03 -3.4737000000e-03 -1.7690000000e-03 -4.5820000000e-04  3.1221000000e-03  5.6760000000e-04  3.0054000000e-03
-
-JOB 40
-COORDS -9.9453500000e-01 -1.2985750000e+00 -1.1395000000e-02 -1.5682000000e+00 -1.3089160000e+00  7.5478600000e-01 -1.3875480000e+00 -1.9299570000e+00 -6.1399700000e-01  1.0723080000e+00  1.3962380000e+00  2.0600000000e-04  1.2247580000e+00  6.2933400000e-01 -5.5192500000e-01  4.8735700000e-01  1.0828560000e+00  6.9003000000e-01
-ENERGY -1.526571355524e+02
-FORCES -5.0225000000e-03 -3.4019000000e-03 -6.4200000000e-05  2.8645000000e-03  5.5180000000e-04 -3.1328000000e-03  1.6391000000e-03  2.5394000000e-03  2.7844000000e-03 -3.9436000000e-03 -7.1695000000e-03 -1.2070000000e-04  1.8562000000e-03  4.2620000000e-03  1.0064000000e-03  2.6064000000e-03  3.2181000000e-03 -4.7310000000e-04
-
-JOB 41
-COORDS -9.9071000000e-01  1.3399820000e+00  6.2389800000e-01 -3.1527500000e-01  1.3280180000e+00 -5.4244000000e-02 -8.9984700000e-01  4.9693000000e-01  1.0680140000e+00  9.3628700000e-01 -1.2831670000e+00 -5.5324700000e-01  7.6094200000e-01 -7.2166300000e-01 -1.3083620000e+00  1.3544840000e+00 -2.0602690000e+00 -9.2399600000e-01
-ENERGY -1.526559757833e+02
-FORCES  4.3612000000e-03 -5.2206000000e-03  5.2100000000e-05 -2.9345000000e-03  6.6960000000e-04  5.4350000000e-04 -1.9824000000e-03  4.7952000000e-03 -9.4010000000e-04  1.8798000000e-03 -2.8625000000e-03 -5.4291000000e-03  5.4100000000e-04 -8.2330000000e-04  4.4169000000e-03 -1.8651000000e-03  3.4415000000e-03  1.3566000000e-03
-
-JOB 42
-COORDS  6.9397300000e-01 -6.9487800000e-01  1.4320760000e+00  1.0839200000e-01 -1.0859770000e+00  7.8371800000e-01  5.0956200000e-01 -1.1723320000e+00  2.2409410000e+00 -6.5565700000e-01  6.8624000000e-01 -1.4873410000e+00 -1.9773600000e-01  7.7029000000e-01 -6.5099500000e-01 -1.0366870000e+00  1.5509120000e+00 -1.6402800000e+00
-ENERGY -1.526574862281e+02
-FORCES -2.7484000000e-03 -5.5372000000e-03  2.1575000000e-03  3.0288000000e-03  4.1680000000e-03  3.0741000000e-03  8.6940000000e-04  1.6231000000e-03 -3.4406000000e-03  9.9930000000e-04  5.4108000000e-03  2.7670000000e-03 -3.6627000000e-03 -2.3224000000e-03 -4.9903000000e-03  1.5135000000e-03 -3.3422000000e-03  4.3220000000e-04
-
-JOB 43
-COORDS -6.3019500000e-01 -1.0361440000e+00  1.3408910000e+00 -2.2543000000e-02 -4.9679800000e-01  8.3483000000e-01 -1.1908400000e+00 -1.4475710000e+00  6.8314000000e-01  6.4578600000e-01  1.0933590000e+00 -1.2955850000e+00 -2.0198800000e-01  6.6753000000e-01 -1.1683820000e+00  1.2831390000e+00  4.6567100000e-01 -9.5496600000e-01
-ENERGY -1.526523298836e+02
-FORCES -7.1200000000e-05  4.4310000000e-04 -3.3929000000e-03 -2.4629000000e-03 -3.2333000000e-03  7.0400000000e-05  2.9040000000e-03  2.7349000000e-03  2.2516000000e-03 -3.7570000000e-04 -3.1183000000e-03 -5.4390000000e-04  4.7607000000e-03  6.3940000000e-04  1.2646000000e-03 -4.7549000000e-03  2.5343000000e-03  3.5020000000e-04
-
-JOB 44
-COORDS  8.3060700000e-01 -1.3222360000e+00 -6.4228500000e-01  8.7039500000e-01 -1.5874890000e+00 -1.5611370000e+00  1.0173490000e+00 -2.1234070000e+00 -1.5291400000e-01 -9.0015100000e-01  1.4022150000e+00  6.4794500000e-01 -5.6893100000e-01  1.3339060000e+00  1.5434100000e+00 -1.7237900000e-01  1.1087040000e+00  9.9829000000e-02
-ENERGY -1.526572976736e+02
-FORCES  2.6600000000e-04 -5.8431000000e-03 -1.6823000000e-03  4.4200000000e-05  1.1307000000e-03  3.9895000000e-03 -4.2660000000e-04  3.1838000000e-03 -2.3316000000e-03  5.3499000000e-03 -4.1118000000e-03  3.1710000000e-04 -1.5347000000e-03  6.5490000000e-04 -2.7385000000e-03 -3.6989000000e-03  4.9856000000e-03  2.4457000000e-03
-
-JOB 45
-COORDS  7.4733700000e-01 -5.3283600000e-01  1.5656190000e+00  6.2113000000e-02 -9.2962800000e-01  1.0277940000e+00  1.4684940000e+00 -3.7381900000e-01  9.5662000000e-01 -7.4282100000e-01  4.9707000000e-01 -1.4547210000e+00 -1.5378370000e+00  8.9973700000e-01 -1.8040630000e+00 -2.8258000000e-02  9.4228200000e-01 -1.9101500000e+00
-ENERGY -1.526562963532e+02
-FORCES -1.6605000000e-03  8.5900000000e-05 -6.8513000000e-03  3.3688000000e-03 -3.2300000000e-04  4.4010000000e-03 -1.4577000000e-03 -5.4730000000e-04  2.7424000000e-03 -1.0503000000e-03  4.7040000000e-03 -3.4509000000e-03  3.4726000000e-03 -1.6728000000e-03  1.2038000000e-03 -2.6728000000e-03 -2.2469000000e-03  1.9549000000e-03
-
-JOB 46
-COORDS  1.5333470000e+00  4.4272800000e-01 -8.0433300000e-01  1.6433780000e+00 -4.8663500000e-01 -1.0053550000e+00  9.1157800000e-01  7.5815200000e-01 -1.4601850000e+00 -1.5368080000e+00 -4.3342600000e-01  9.0250700000e-01 -1.7955550000e+00  1.7783700000e-01  2.1284200000e-01 -5.8578800000e-01 -5.0182600000e-01  8.1816400000e-01
-ENERGY -1.526561577256e+02
-FORCES  6.5450000000e-04 -1.5315000000e-03 -5.8691000000e-03 -1.6270000000e-03  4.2943000000e-03  2.0335000000e-03  1.7719000000e-03 -1.7243000000e-03  3.8625000000e-03  4.4822000000e-03  3.6844000000e-03 -2.5544000000e-03  4.1710000000e-04 -2.6237000000e-03  1.9146000000e-03 -5.6988000000e-03 -2.0991000000e-03  6.1290000000e-04
-
-JOB 47
-COORDS -2.9805200000e-01  1.4607820000e+00  1.0943740000e+00 -1.1180010000e+00  1.0231710000e+00  8.6544000000e-01  2.7946200000e-01  1.2932360000e+00  3.4963400000e-01  2.5854100000e-01 -1.3937870000e+00 -1.0312410000e+00  1.1140750000e+00 -1.0936280000e+00 -7.2432300000e-01  4.2651200000e-01 -2.2611180000e+00 -1.3996890000e+00
-ENERGY -1.526557903672e+02
-FORCES -2.2394000000e-03 -3.7029000000e-03 -5.0648000000e-03  2.7459000000e-03  3.0705000000e-03  2.0057000000e-03 -2.8170000000e-04  8.9290000000e-04  3.5285000000e-03  4.4409000000e-03 -4.2175000000e-03 -4.7880000000e-04 -4.1131000000e-03  3.1070000000e-04 -1.6491000000e-03 -5.5250000000e-04  3.6463000000e-03  1.6586000000e-03
-
-JOB 48
-COORDS  5.8445000000e-01 -1.0487480000e+00 -1.3404850000e+00  8.6067000000e-01 -1.6088680000e+00 -6.1508800000e-01 -3.1947000000e-01 -1.3107080000e+00 -1.5152350000e+00 -4.9918200000e-01  1.1349500000e+00  1.3247090000e+00 -7.1343000000e-01  4.2012900000e-01  1.9241750000e+00 -1.1333840000e+00  1.0494350000e+00  6.1287500000e-01
-ENERGY -1.526528630255e+02
-FORCES -1.2775000000e-03 -3.0195000000e-03  2.9659000000e-03 -1.5500000000e-03  1.5780000000e-03 -3.3049000000e-03  3.1761000000e-03  1.8322000000e-03  1.2768000000e-03 -2.6564000000e-03 -3.2329000000e-03 -2.1648000000e-03  1.0422000000e-03  2.4300000000e-03 -2.5162000000e-03  1.2657000000e-03  4.1220000000e-04  3.7432000000e-03
-
-JOB 49
-COORDS  4.3874400000e-01  1.6920220000e+00 -6.9440100000e-01  5.9551500000e-01  1.1755640000e+00  9.6121000000e-02 -5.1229100000e-01  1.7947140000e+00 -7.2929600000e-01 -4.2627900000e-01 -1.6802480000e+00  7.0664900000e-01  3.1451600000e-01 -2.1766040000e+00  3.5867600000e-01 -5.8663900000e-01 -9.9899000000e-01  5.3653000000e-02
-ENERGY -1.526554201558e+02
-FORCES -2.4540000000e-03  1.0398000000e-03  4.2843000000e-03 -1.4587000000e-03  1.2943000000e-03 -5.3768000000e-03  4.2311000000e-03 -1.9288000000e-03 -1.6740000000e-04  2.1749000000e-03 -1.1811000000e-03 -5.3048000000e-03 -3.1610000000e-03  2.2454000000e-03  1.9365000000e-03  6.6760000000e-04 -1.4695000000e-03  4.6281000000e-03
-
-JOB 50
-COORDS  8.3549000000e-01 -3.6499800000e-01 -1.6081550000e+00  1.4465380000e+00 -9.3604000000e-01 -1.1425780000e+00  1.2205240000e+00  5.0834800000e-01 -1.5357130000e+00 -8.6953900000e-01  3.8911300000e-01  1.6282380000e+00 -1.5413430000e+00 -2.9039700000e-01  1.6846050000e+00 -5.5047600000e-01  3.3699300000e-01  7.2728600000e-01
-ENERGY -1.526576612468e+02
-FORCES  6.5208000000e-03  3.3680000000e-04 -7.2650000000e-04 -3.3604000000e-03  2.8598000000e-03 -1.7592000000e-03 -2.7219000000e-03 -4.0681000000e-03  7.2910000000e-04 -1.7990000000e-03 -3.4231000000e-03 -4.9067000000e-03  2.5495000000e-03  2.5473000000e-03  3.0480000000e-04 -1.1889000000e-03  1.7472000000e-03  6.3586000000e-03
-
-JOB 51
-COORDS  5.7849400000e-01  5.9355000000e-01 -1.6269260000e+00  1.9674300000e-01  1.2192460000e+00 -2.2425580000e+00  2.2506200000e-01 -2.5425000000e-01 -1.8962850000e+00 -5.9212200000e-01 -5.5150600000e-01  1.6820700000e+00  1.7752400000e-01 -3.0068800000e-01  2.1929190000e+00 -2.9713300000e-01 -1.2913880000e+00  1.1512330000e+00
-ENERGY -1.526534420224e+02
-FORCES -4.2403000000e-03 -1.5290000000e-04 -3.1274000000e-03  1.8354000000e-03 -2.5781000000e-03  2.2689000000e-03  1.9863000000e-03  2.7190000000e-03  1.3942000000e-03  5.5696000000e-03 -4.9400000000e-04 -1.3424000000e-03 -3.3652000000e-03 -1.4683000000e-03 -1.1691000000e-03 -1.7857000000e-03  1.9742000000e-03  1.9759000000e-03
-
-JOB 52
-COORDS -7.1322400000e-01 -1.5762700000e+00  6.3057300000e-01 -1.0685520000e+00 -2.4148150000e+00  9.2522000000e-01 -1.3839430000e+00 -9.3530700000e-01  8.6623100000e-01  8.1138100000e-01  1.5827700000e+00 -7.0424200000e-01  4.7541900000e-01  2.3217210000e+00 -1.9698200000e-01  3.6119800000e-01  8.1920800000e-01 -3.4293800000e-01
-ENERGY -1.526555632386e+02
-FORCES -4.6459000000e-03 -3.7474000000e-03  2.6272000000e-03  1.0708000000e-03  3.7171000000e-03 -9.8700000000e-04  4.1976000000e-03 -1.3203000000e-03 -1.6923000000e-03 -2.3048000000e-03 -1.6880000000e-03  3.4494000000e-03  9.0740000000e-04 -3.0760000000e-03 -1.9111000000e-03  7.7500000000e-04  6.1147000000e-03 -1.4861000000e-03
-
-JOB 53
-COORDS -9.4282000000e-01 -7.4082600000e-01 -1.5664710000e+00 -1.0780100000e+00 -7.3809300000e-01 -6.1887000000e-01 -1.1468700000e-01 -1.2048460000e+00 -1.6894060000e+00  9.5719400000e-01  7.8282900000e-01  1.5429470000e+00  9.6605000000e-02  5.9283600000e-01  1.9164730000e+00  8.2231000000e-01  7.4156400000e-01  5.9619700000e-01
-ENERGY -1.526541440327e+02
-FORCES  1.8287000000e-03 -4.0288000000e-03  2.2280000000e-03  1.4386000000e-03  1.6498000000e-03 -3.6388000000e-03 -3.5679000000e-03  2.9364000000e-03  8.3740000000e-04 -3.7123000000e-03  9.0980000000e-04 -2.1570000000e-03  3.4995000000e-03 -1.1830000000e-04 -2.2747000000e-03  5.1340000000e-04 -1.3488000000e-03  5.0050000000e-03
-
-JOB 54
-COORDS -2.9552700000e-01 -1.8186930000e+00 -6.1650600000e-01 -9.1430400000e-01 -1.1830010000e+00 -2.5700400000e-01 -3.8109200000e-01 -1.7267030000e+00 -1.5654260000e+00  2.9413600000e-01  1.8041320000e+00  6.0786300000e-01  1.3374500000e-01  1.6643400000e+00  1.5411180000e+00  1.1839890000e+00  1.4811100000e+00  4.6626400000e-01
-ENERGY -1.526562840600e+02
-FORCES -3.2678000000e-03  4.1687000000e-03 -2.5274000000e-03  2.0710000000e-03 -4.2536000000e-03 -1.1795000000e-03  5.1370000000e-04 -7.4960000000e-04  3.6182000000e-03  4.3078000000e-03 -1.6610000000e-03  3.3760000000e-03  1.4860000000e-04  3.5310000000e-04 -4.0175000000e-03 -3.7734000000e-03  2.1425000000e-03  7.3020000000e-04
-
-JOB 55
-COORDS -1.5306680000e+00 -6.3403800000e-01 -1.0955680000e+00 -1.0244840000e+00 -1.3894390000e+00 -7.9660600000e-01 -1.8591290000e+00 -2.3180600000e-01 -2.9148200000e-01  1.5121050000e+00  6.7657200000e-01  1.0988710000e+00  1.5854060000e+00 -2.3942300000e-01  8.3089200000e-01  1.5893360000e+00  1.1720630000e+00  2.8354600000e-01
-ENERGY -1.526550742274e+02
-FORCES -1.6110000000e-04 -1.1947000000e-03  5.2633000000e-03 -1.1599000000e-03  3.1216000000e-03 -1.4328000000e-03  9.6790000000e-04 -2.0278000000e-03 -3.9430000000e-03  1.1122000000e-03 -1.1231000000e-03 -5.3517000000e-03 -9.0910000000e-04  3.1294000000e-03  1.4963000000e-03  1.5000000000e-04 -1.9053000000e-03  3.9680000000e-03
-
-JOB 56
-COORDS  1.7780860000e+00  1.4005300000e-01 -9.3767300000e-01  9.7314000000e-01  2.7961200000e-01 -4.3885800000e-01  2.0300940000e+00 -7.6179800000e-01 -7.3920500000e-01 -1.8021000000e+00 -7.8591000000e-02  8.6279200000e-01 -1.0718470000e+00  4.7772900000e-01  1.1338480000e+00 -1.5916520000e+00 -9.4155300000e-01  1.2195000000e+00
-ENERGY -1.526535365337e+02
-FORCES -2.9727000000e-03 -3.6015000000e-03  1.5825000000e-03  4.2935000000e-03  2.2000000000e-04 -1.6630000000e-04 -9.4950000000e-04  3.8286000000e-03 -4.5650000000e-04  1.6011000000e-03 -1.2062000000e-03  4.2420000000e-03 -1.6738000000e-03 -3.2434000000e-03 -3.1529000000e-03 -2.9860000000e-04  4.0025000000e-03 -2.0487000000e-03
-
-JOB 57
-COORDS -8.2890800000e-01  7.9522200000e-01  1.5774200000e+00 -5.3456600000e-01  1.7056530000e+00  1.6040720000e+00 -1.7070960000e+00  8.3790100000e-01  1.1990080000e+00  8.5354400000e-01 -8.3204100000e-01 -1.6251470000e+00  1.3933140000e+00 -3.6440900000e-01 -9.8780800000e-01  4.6517000000e-01 -1.5521400000e+00 -1.1283020000e+00
-ENERGY -1.526557810022e+02
-FORCES -3.2005000000e-03  4.3819000000e-03 -1.6899000000e-03 -9.0230000000e-04 -3.8653000000e-03 -8.7700000000e-05  3.5405000000e-03 -2.3290000000e-04  2.0253000000e-03  3.5700000000e-05 -6.1170000000e-04  6.2826000000e-03 -1.0250000000e-03 -1.7715000000e-03 -3.6235000000e-03  1.5516000000e-03  2.0995000000e-03 -2.9069000000e-03
-
-JOB 58
-COORDS  3.0517800000e-01 -4.2886900000e-01  1.8598260000e+00  1.1457620000e+00 -6.8192200000e-01  1.4782300000e+00  2.2357500000e-01 -9.7314200000e-01  2.6429860000e+00 -2.9940600000e-01  5.0499300000e-01 -1.9082690000e+00 -5.0283000000e-01  2.2351200000e-01 -1.0162940000e+00 -1.0839350000e+00  2.8973000000e-01 -2.4126560000e+00
-ENERGY -1.526569274682e+02
-FORCES  3.7753000000e-03 -3.3363000000e-03  3.3645000000e-03 -4.3025000000e-03  9.2340000000e-04  1.3777000000e-03  6.3190000000e-04  2.2355000000e-03 -3.2250000000e-03 -4.4177000000e-03 -1.7082000000e-03  2.6607000000e-03  1.2843000000e-03  1.0779000000e-03 -5.9675000000e-03  3.0288000000e-03  8.0770000000e-04  1.7896000000e-03
-
-JOB 59
-COORDS  1.7462000000e+00 -3.6649000000e-01 -7.7905400000e-01  1.8930420000e+00 -8.5318800000e-01 -1.5900990000e+00  2.5081420000e+00  2.0780600000e-01 -7.0249600000e-01 -1.7398580000e+00  3.7698200000e-01  7.8143400000e-01 -2.2821850000e+00  1.0001900000e+00  1.2648860000e+00 -2.1355870000e+00 -4.7575900000e-01  9.6160800000e-01
-ENERGY -1.526524745748e+02
-FORCES  3.2132000000e-03  1.0796000000e-03 -2.9348000000e-03 -6.7250000000e-04  1.7509000000e-03  3.4429000000e-03 -2.9427000000e-03 -2.4772000000e-03 -3.2000000000e-04 -3.2189000000e-03 -1.5755000000e-03  2.6446000000e-03  2.4515000000e-03 -2.3788000000e-03 -2.0860000000e-03  1.1694000000e-03  3.6011000000e-03 -7.4670000000e-04
-
-JOB 60
-COORDS  6.9517500000e-01  1.6099700000e-01  1.9600350000e+00  1.2469000000e+00  8.9043600000e-01  1.6776340000e+00  4.6504000000e-02  6.6660000000e-02  1.2624970000e+00 -7.0765700000e-01 -2.5972700000e-01 -1.9376120000e+00 -1.2681870000e+00  3.5039900000e-01 -1.4582540000e+00  1.4707100000e-01  1.7031800000e-01 -1.9647240000e+00
-ENERGY -1.526537468783e+02
-FORCES -3.5000000000e-04  1.6127000000e-03 -3.8352000000e-03 -2.4875000000e-03 -2.9288000000e-03  7.2200000000e-04  2.6714000000e-03  1.8737000000e-03  3.2981000000e-03  8.1440000000e-04  4.1601000000e-03 -5.1550000000e-04  3.2853000000e-03 -3.0083000000e-03 -7.5700000000e-04 -3.9336000000e-03 -1.7094000000e-03  1.0875000000e-03
-
-JOB 61
-COORDS  1.8227760000e+00  2.5660000000e-02  1.0616100000e+00  1.4816190000e+00 -7.7664500000e-01  1.4567670000e+00  1.0535800000e+00  4.5412200000e-01  6.8612400000e-01 -1.7803700000e+00 -4.3094000000e-02 -1.1171040000e+00 -1.8714180000e+00 -3.0042200000e-01 -1.9964800000e-01 -1.3647450000e+00  8.1854900000e-01 -1.0845670000e+00
-ENERGY -1.526530347014e+02
-FORCES -4.0918000000e-03 -2.3369000000e-03 -5.2800000000e-04  1.1734000000e-03  3.6733000000e-03 -1.3378000000e-03  2.4944000000e-03 -9.8670000000e-04  1.9955000000e-03 -2.8620000000e-04  2.6407000000e-03  2.8228000000e-03  1.6216000000e-03  1.2406000000e-03 -3.7460000000e-03 -9.1130000000e-04 -4.2310000000e-03  7.9340000000e-04
-
-JOB 62
-COORDS  6.7925000000e-02 -6.8776600000e-01  1.9864840000e+00 -2.8229400000e-01  1.7024200000e-01  1.7468990000e+00  7.8886100000e-01 -4.9393900000e-01  2.5855800000e+00 -9.6582000000e-02  6.8315500000e-01 -2.0185780000e+00  5.2565100000e-01  2.7329600000e-01 -1.4176840000e+00 -5.8686100000e-01 -4.8969000000e-02 -2.3925470000e+00
-ENERGY -1.526559318132e+02
-FORCES  7.3900000000e-04  4.4360000000e-03  2.7787000000e-03  2.1837000000e-03 -4.0888000000e-03  8.2130000000e-04 -2.8941000000e-03 -7.8110000000e-04 -2.7644000000e-03  6.8580000000e-04 -5.5582000000e-03  6.5730000000e-04 -2.6149000000e-03  2.7809000000e-03 -2.7089000000e-03  1.9005000000e-03  3.2112000000e-03  1.2160000000e-03
-
-JOB 63
-COORDS  1.0105220000e+00 -1.7970550000e+00  1.8821400000e-01  1.6347290000e+00 -2.4627940000e+00  4.7698700000e-01  3.3008300000e-01 -2.2892350000e+00 -2.7112600000e-01 -1.0153470000e+00  1.7949450000e+00 -1.7768700000e-01 -4.8262400000e-01  2.3023830000e+00  4.3464100000e-01 -1.3878820000e+00  2.4480980000e+00 -7.7000500000e-01
-ENERGY -1.526535830173e+02
-FORCES -1.1647000000e-03 -4.3904000000e-03 -1.1203000000e-03 -2.4378000000e-03  2.9477000000e-03 -1.0865000000e-03  3.2239000000e-03  1.3054000000e-03  1.9277000000e-03  1.6283000000e-03  4.4221000000e-03  4.9700000000e-04 -2.6423000000e-03 -1.4411000000e-03 -2.5319000000e-03  1.3926000000e-03 -2.8438000000e-03  2.3140000000e-03
-
-JOB 64
-COORDS  1.5173670000e+00 -1.0986890000e+00  1.1095280000e+00  8.7801000000e-01 -1.5580470000e+00  5.6506100000e-01  1.9256230000e+00 -1.7878970000e+00  1.6335030000e+00 -1.4881350000e+00  1.2147720000e+00 -1.1446810000e+00 -2.1557720000e+00  1.1403320000e+00 -4.6280700000e-01 -1.1239000000e+00  3.3289400000e-01 -1.2212130000e+00
-ENERGY -1.526530693635e+02
-FORCES -2.1020000000e-04 -4.9109000000e-03  2.7110000000e-04  1.8550000000e-03  2.3923000000e-03  1.7595000000e-03 -1.7841000000e-03  2.9765000000e-03 -2.2021000000e-03 -6.6780000000e-04 -3.4131000000e-03  3.0347000000e-03  2.5159000000e-03  1.1520000000e-04 -3.0727000000e-03 -1.7089000000e-03  2.8401000000e-03  2.0960000000e-04
-
-JOB 65
-COORDS -1.3239520000e+00  8.1838100000e-01  1.5820260000e+00 -1.5124490000e+00  7.2867400000e-01  2.5161850000e+00 -3.6874800000e-01  8.5518400000e-01  1.5323970000e+00  1.3196860000e+00 -7.7972600000e-01 -1.6046370000e+00  7.6921300000e-01 -1.4219960000e+00 -1.1566400000e+00  1.0591330000e+00 -8.3983800000e-01 -2.5237290000e+00
-ENERGY -1.526552272333e+02
-FORCES  3.5017000000e-03  5.0130000000e-04  3.3888000000e-03  7.5280000000e-04  2.2460000000e-04 -3.8309000000e-03 -4.4717000000e-03 -5.4070000000e-04  8.9970000000e-04 -3.9133000000e-03 -2.8214000000e-03 -2.4361000000e-03  2.8518000000e-03  2.5948000000e-03 -1.6530000000e-03  1.2787000000e-03  4.1400000000e-05  3.6314000000e-03
-
-JOB 66
-COORDS -1.8541210000e+00 -3.8788800000e-01  1.1097720000e+00 -2.1930820000e+00  9.5614000000e-02  1.8631400000e+00 -2.6346280000e+00 -7.2526400000e-01  6.7020600000e-01  1.8770190000e+00  3.5143000000e-01 -1.1532240000e+00  2.0570420000e+00  1.2893680000e+00 -1.0892230000e+00  2.6318600000e+00 -6.6639000000e-02 -7.3889900000e-01
-ENERGY -1.526530617236e+02
-FORCES -4.4365000000e-03  5.4100000000e-04  6.7620000000e-04  1.5571000000e-03 -1.9086000000e-03 -3.0142000000e-03  3.0649000000e-03  1.3555000000e-03  2.0266000000e-03  3.1012000000e-03  1.9627000000e-03  2.7415000000e-03 -4.9910000000e-04 -3.6840000000e-03 -5.0430000000e-04 -2.7876000000e-03  1.7334000000e-03 -1.9257000000e-03
-
-JOB 67
-COORDS  2.1554740000e+00 -8.8465800000e-01  1.2365400000e-01  2.2359150000e+00 -1.0194250000e+00  1.0678990000e+00  1.5689950000e+00 -1.3308000000e-01  3.7605000000e-02 -2.1893980000e+00  8.3812700000e-01 -1.5173900000e-01 -1.3888560000e+00  8.8722600000e-01  3.7070900000e-01 -1.9034670000e+00  1.0209890000e+00 -1.0467460000e+00
-ENERGY -1.526528388477e+02
-FORCES -1.5462000000e-03  1.9579000000e-03  3.7050000000e-03 -4.8910000000e-04  8.2410000000e-04 -4.0961000000e-03  1.6060000000e-03 -2.6606000000e-03  3.9080000000e-04  3.6966000000e-03  8.2980000000e-04 -1.8580000000e-03 -2.3963000000e-03 -2.8500000000e-04 -2.2585000000e-03 -8.7100000000e-04 -6.6620000000e-04  4.1168000000e-03
-
-JOB 68
-COORDS  1.7752360000e+00 -1.4023020000e+00  6.3569100000e-01  1.6439630000e+00 -1.1899680000e+00  1.5597650000e+00  1.7194430000e+00 -5.5942300000e-01  1.8549800000e-01 -1.7475400000e+00  1.2919070000e+00 -6.5047900000e-01 -1.5130130000e+00  1.8374740000e+00 -1.4012020000e+00 -2.3331300000e+00  1.8405860000e+00 -1.2868700000e-01
-ENERGY -1.526545548569e+02
-FORCES -2.0858000000e-03  4.6792000000e-03  1.6232000000e-03  9.7460000000e-04 -1.0255000000e-03 -3.3852000000e-03  1.4551000000e-03 -3.5120000000e-03  1.8015000000e-03 -2.3488000000e-03  4.3633000000e-03 -1.2585000000e-03 -6.0030000000e-04 -2.2683000000e-03  3.3268000000e-03  2.6052000000e-03 -2.2368000000e-03 -2.1078000000e-03
-
-JOB 69
-COORDS -1.4006060000e+00  1.5482910000e+00 -1.1407960000e+00 -1.2567200000e+00  6.1660800000e-01 -1.3066120000e+00 -2.0866860000e+00  1.5701650000e+00 -4.7367700000e-01  1.4260020000e+00 -1.4649100000e+00  1.0606750000e+00  2.1774790000e+00 -1.9042760000e+00  1.4587600000e+00  6.8540700000e-01 -1.7037120000e+00  1.6181010000e+00
-ENERGY -1.526540928476e+02
-FORCES -1.2618000000e-03 -4.0351000000e-03  2.1636000000e-03 -1.5192000000e-03  3.9882000000e-03  4.4080000000e-04  2.5732000000e-03 -9.4900000000e-05 -2.6132000000e-03  7.3840000000e-04 -2.5812000000e-03  4.2231000000e-03 -3.1928000000e-03  1.7353000000e-03 -1.5838000000e-03  2.6622000000e-03  9.8770000000e-04 -2.6304000000e-03
-
-JOB 70
-COORDS  1.5250280000e+00  1.5533110000e+00 -8.4884500000e-01  1.0396340000e+00  2.3556000000e+00 -6.5660300000e-01  1.8669360000e+00  1.6857120000e+00 -1.7330400000e+00 -1.5808690000e+00 -1.5759380000e+00  8.8548500000e-01 -9.1007100000e-01 -1.5937710000e+00  2.0288400000e-01 -1.1881910000e+00 -2.0473240000e+00  1.6202170000e+00
-ENERGY -1.526551264594e+02
-FORCES -7.1540000000e-04  4.4219000000e-03 -2.6236000000e-03  2.2844000000e-03 -3.2227000000e-03 -9.9590000000e-04 -1.4369000000e-03 -7.1790000000e-04  3.6199000000e-03  5.0462000000e-03 -1.3875000000e-03  2.6000000000e-06 -3.4034000000e-03 -7.8030000000e-04  2.7990000000e-03 -1.7748000000e-03  1.6866000000e-03 -2.8019000000e-03
-
-JOB 71
-COORDS  9.7991000000e-02  2.0581780000e+00 -1.1197650000e+00  1.0260350000e+00  1.8959390000e+00 -9.5052100000e-01  7.4224000000e-02  2.9325270000e+00 -1.5085850000e+00 -1.9789400000e-01 -2.1399550000e+00  1.0889650000e+00  6.9349700000e-01 -1.8048560000e+00  9.9220300000e-01 -4.3387600000e-01 -1.9364030000e+00  1.9940130000e+00
-ENERGY -1.526533578508e+02
-FORCES  3.4798000000e-03  2.8918000000e-03 -1.2450000000e-03 -3.6776000000e-03  4.7490000000e-04 -3.6130000000e-04  8.5500000000e-05 -3.6215000000e-03  1.6668000000e-03  2.2249000000e-03  2.8801000000e-03  3.0059000000e-03 -3.2110000000e-03 -1.5292000000e-03  4.7090000000e-04  1.0985000000e-03 -1.0962000000e-03 -3.5373000000e-03
-
-JOB 72
-COORDS -2.1215960000e+00 -1.1264200000e+00  1.7967400000e-01 -3.0144760000e+00 -8.0257200000e-01  6.0848000000e-02 -1.5818430000e+00 -3.3649500000e-01  2.0994400000e-01  2.1010560000e+00  1.0418900000e+00 -2.1950100000e-01  2.9688150000e+00  7.1128300000e-01  1.2716000000e-02  1.9793250000e+00  1.8095830000e+00  3.3912300000e-01
-ENERGY -1.526547429658e+02
-FORCES -5.8890000000e-04  4.6180000000e-03 -8.0200000000e-04  3.5110000000e-03 -1.2757000000e-03  5.5990000000e-04 -3.3536000000e-03 -3.1722000000e-03  4.1440000000e-04  4.0053000000e-03  1.4447000000e-03  3.0647000000e-03 -3.5243000000e-03  1.6633000000e-03 -9.3690000000e-04 -4.9600000000e-05 -3.2782000000e-03 -2.3002000000e-03
-
-JOB 73
-COORDS  6.4260000000e-02 -1.8636470000e+00  1.4590610000e+00  4.4337400000e-01 -1.5524760000e+00  2.2810570000e+00  5.9991600000e-01 -2.6196560000e+00  1.2187410000e+00 -1.4785800000e-01  1.8266370000e+00 -1.4769660000e+00  7.8389100000e-01  1.8396850000e+00 -1.6958390000e+00 -4.0382300000e-01  2.7488580000e+00 -1.4621010000e+00
-ENERGY -1.526530678416e+02
-FORCES  3.5608000000e-03 -1.4551000000e-03  2.1452000000e-03 -1.4871000000e-03 -1.3825000000e-03 -3.2652000000e-03 -2.1318000000e-03  3.0825000000e-03  9.7690000000e-04  2.7662000000e-03  3.4019000000e-03 -5.6980000000e-04 -3.7306000000e-03  1.2230000000e-04  7.3950000000e-04  1.0225000000e-03 -3.7691000000e-03 -2.6600000000e-05
-
-JOB 74
-COORDS -2.5210830000e+00 -2.8963500000e-01 -4.2876000000e-02 -2.2905470000e+00 -1.0341330000e+00  5.1282800000e-01 -1.6801730000e+00  9.6660000000e-02 -2.8757500000e-01  2.3879050000e+00  3.0647100000e-01  3.8476000000e-02  2.8020940000e+00  3.9906100000e-01 -8.1949100000e-01  3.1161710000e+00  3.2190600000e-01  6.5946100000e-01
-ENERGY -1.526555370730e+02
-FORCES  5.1770000000e-03 -1.2797000000e-03  1.4458000000e-03 -1.3913000000e-03  2.7290000000e-03 -2.1375000000e-03 -4.3009000000e-03 -1.5249000000e-03  5.8110000000e-04  5.2937000000e-03  5.9690000000e-04 -7.9670000000e-04 -1.8429000000e-03 -4.0490000000e-04  3.5660000000e-03 -2.9355000000e-03 -1.1650000000e-04 -2.6588000000e-03
-
-JOB 75
-COORDS -1.5628290000e+00 -1.6062790000e+00 -1.0778860000e+00 -2.4313070000e+00 -1.2038400000e+00 -1.0824140000e+00 -1.7034990000e+00 -2.4764600000e+00 -7.0475400000e-01  1.6719250000e+00  1.5962050000e+00  1.0568460000e+00  1.2585420000e+00  2.0071770000e+00  1.8160880000e+00  1.0841620000e+00  1.7933810000e+00  3.2753900000e-01
-ENERGY -1.526541477526e+02
-FORCES -3.8953000000e-03 -2.4854000000e-03  1.6329000000e-03  3.6674000000e-03 -1.3308000000e-03  7.4900000000e-05  3.3830000000e-04  3.5916000000e-03 -1.6397000000e-03 -4.4212000000e-03  1.8164000000e-03 -3.6060000000e-04  1.7010000000e-03 -1.5563000000e-03 -2.9308000000e-03  2.6098000000e-03 -3.5500000000e-05  3.2233000000e-03
-
-JOB 76
-COORDS -2.1586270000e+00 -5.3133600000e-01  1.2872980000e+00 -1.6203220000e+00 -4.4670100000e-01  2.0742510000e+00 -2.1939540000e+00  3.5369000000e-01  9.2437500000e-01  2.1243870000e+00  4.1476800000e-01 -1.3600330000e+00  1.5402970000e+00  5.1970300000e-01 -6.0899400000e-01  2.7098580000e+00  1.1707670000e+00 -1.3161980000e+00
-ENERGY -1.526536440379e+02
-FORCES  1.1674000000e-03  3.6518000000e-03  1.9424000000e-03 -1.8783000000e-03 -1.4200000000e-04 -3.5780000000e-03  7.4340000000e-04 -3.6584000000e-03  1.5346000000e-03 -1.0100000000e-05  3.1280000000e-03  3.1363000000e-03  2.4998000000e-03  1.0380000000e-04 -2.9321000000e-03 -2.5222000000e-03 -3.0832000000e-03 -1.0310000000e-04
-
-JOB 77
-COORDS  2.3487000000e-01  2.8436000000e-01  2.5840780000e+00  1.0296600000e+00 -2.3487200000e-01  2.7063020000e+00  3.0436400000e-01  6.2304300000e-01  1.6915000000e+00 -2.6867400000e-01 -2.6554500000e-01 -2.4758420000e+00 -2.5820000000e-02  2.5137000000e-01 -3.2439910000e+00 -8.2667600000e-01 -9.6204100000e-01 -2.8219030000e+00
-ENERGY -1.526551640503e+02
-FORCES  3.3091000000e-03 -8.7810000000e-04 -3.9243000000e-03 -3.0738000000e-03  2.0563000000e-03 -1.7680000000e-04 -6.4500000000e-05 -1.0183000000e-03  4.4639000000e-03 -1.6505000000e-03 -9.5590000000e-04 -4.8497000000e-03 -9.3120000000e-04 -2.1127000000e-03  3.2204000000e-03  2.4108000000e-03  2.9088000000e-03  1.2666000000e-03
-
-JOB 78
-COORDS  5.8947800000e-01  2.0990240000e+00  1.5599890000e+00  9.3540400000e-01  1.6778130000e+00  7.7312900000e-01 -3.5084700000e-01  2.1748860000e+00  1.3979250000e+00 -6.1771700000e-01 -2.0741910000e+00 -1.5356150000e+00 -4.1932400000e-01 -2.4230270000e+00 -6.6660100000e-01  2.3287500000e-01 -1.8154850000e+00 -1.8902940000e+00
-ENERGY -1.526543903503e+02
-FORCES -2.8011000000e-03 -1.1499000000e-03 -4.0420000000e-03 -1.0454000000e-03  1.4655000000e-03  3.2973000000e-03  3.9874000000e-03 -2.4930000000e-04  8.5540000000e-04  4.2174000000e-03 -1.2919000000e-03  1.8792000000e-03 -8.0430000000e-04  1.7964000000e-03 -3.6751000000e-03 -3.5540000000e-03 -5.7080000000e-04  1.6852000000e-03
-
-JOB 79
-COORDS  2.5402170000e+00 -4.0361700000e-01  6.7999600000e-01  3.2388070000e+00 -9.8308200000e-01  3.7598400000e-01  2.3147460000e+00  1.2323100000e-01 -8.6702000000e-02 -2.6108120000e+00  3.6712700000e-01 -5.8695000000e-01 -1.6879710000e+00  5.4841000000e-01 -4.0881700000e-01 -2.8224860000e+00  9.1802600000e-01 -1.3405650000e+00
-ENERGY -1.526538262078e+02
-FORCES  2.5090000000e-03 -6.3930000000e-04 -4.2334000000e-03 -2.8699000000e-03  2.5217000000e-03  1.2317000000e-03  2.4960000000e-04 -1.9765000000e-03  3.1568000000e-03  2.8710000000e-03  2.8680000000e-03 -1.8843000000e-03 -3.7566000000e-03 -4.9470000000e-04 -1.2889000000e-03  9.9690000000e-04 -2.2792000000e-03  3.0181000000e-03
-
-JOB 80
-COORDS  2.1997230000e+00 -9.1567500000e-01  1.4088290000e+00  2.6074120000e+00 -2.2653900000e-01  8.8431500000e-01  1.7388390000e+00 -1.4613570000e+00  7.7160900000e-01 -2.1296780000e+00  8.8692000000e-01 -1.3389430000e+00 -2.9188210000e+00  3.7410000000e-01 -1.1643020000e+00 -2.4516180000e+00  1.7719160000e+00 -1.5103180000e+00
-ENERGY -1.526545977308e+02
-FORCES -8.4870000000e-04  9.5930000000e-04 -5.0911000000e-03 -1.2076000000e-03 -2.8254000000e-03  2.2799000000e-03  2.2074000000e-03  1.7718000000e-03  2.7825000000e-03 -4.7361000000e-03  1.6920000000e-03  2.5540000000e-04  3.2640000000e-03  2.0355000000e-03 -8.3530000000e-04  1.3211000000e-03 -3.6332000000e-03  6.0860000000e-04
-
-JOB 81
-COORDS -3.4259700000e+00 -1.3079240000e+00 -2.2587000000e-02 -3.6521440000e+00 -9.1966700000e-01 -8.6776900000e-01 -3.5495770000e+00 -2.2485450000e+00 -1.4981400000e-01  3.4415630000e+00  1.4053730000e+00  1.0737700000e-01  3.9347750000e+00  1.0647470000e+00 -6.3891200000e-01  3.0173260000e+00  6.3547900000e-01  4.8621600000e-01
-ENERGY -1.526541335939e+02
-FORCES -1.6036000000e-03 -2.1328000000e-03 -3.9692000000e-03  9.6290000000e-04 -1.6656000000e-03  3.4455000000e-03  6.0600000000e-04  3.8245000000e-03  5.2310000000e-04  8.0200000000e-05 -4.5561000000e-03 -1.3918000000e-03 -1.9715000000e-03  1.3991000000e-03  2.9919000000e-03  1.9260000000e-03  3.1309000000e-03 -1.5994000000e-03
-
-JOB 82
-COORDS -3.9686500000e-01 -6.6128800000e-01 -3.8131790000e+00 -9.9556500000e-01 -1.1048410000e+00 -4.4140550000e+00  1.6149100000e-01 -1.3597290000e+00 -3.4716380000e+00  3.6588000000e-01  6.9664600000e-01  3.7734130000e+00  2.2936200000e-01  1.6039060000e+00  4.0463130000e+00  1.0172890000e+00  3.5690700000e-01  4.3869880000e+00
-ENERGY -1.526539848403e+02
-FORCES -1.8560000000e-04 -4.6682000000e-03 -7.9350000000e-04  2.4394000000e-03  1.8224000000e-03  2.3817000000e-03 -2.2398000000e-03  2.8120000000e-03 -1.5649000000e-03  2.0645000000e-03  2.4356000000e-03  3.5115000000e-03  5.7090000000e-04 -3.7325000000e-03 -1.0309000000e-03 -2.6495000000e-03  1.3308000000e-03 -2.5038000000e-03
-
-JOB 83
-COORDS -7.0003000000e-02 -1.3677060000e+00  3.7180990000e+00  8.8107000000e-02 -2.1188400000e+00  3.1462330000e+00  6.8820200000e-01 -1.3468150000e+00  4.3019830000e+00  1.2491000000e-02  1.4429990000e+00 -3.7737110000e+00 -1.2621100000e-01  1.7117610000e+00 -2.8655480000e+00  2.4726700000e-01  5.1679100000e-01 -3.7166970000e+00
-ENERGY -1.526541619089e+02
-FORCES  3.7106000000e-03 -3.0694000000e-03  3.0590000000e-04 -6.3470000000e-04  3.1577000000e-03  2.1859000000e-03 -3.0936000000e-03 -7.4200000000e-05 -2.4630000000e-03  3.0250000000e-04 -2.6203000000e-03  4.0279000000e-03  6.2370000000e-04 -1.1171000000e-03 -3.7898000000e-03 -9.0840000000e-04  3.7233000000e-03 -2.6690000000e-04
-
-JOB 84
-COORDS  6.2877800000e-01 -4.4248430000e+00  2.4727000000e-01  4.5347500000e-01 -4.5341370000e+00 -6.8737200000e-01  8.3807900000e-01 -3.4959510000e+00  3.4517100000e-01 -5.9139800000e-01  4.4021790000e+00 -2.4550300000e-01 -4.7868500000e-01  4.4625650000e+00  7.0311700000e-01 -1.3871040000e+00  3.8825970000e+00 -3.6004200000e-01
-ENERGY -1.526541193496e+02
-FORCES  2.3980000000e-04  3.3144000000e-03 -3.4721000000e-03  6.7200000000e-04  4.4980000000e-04  3.8347000000e-03 -9.2840000000e-04 -3.7772000000e-03 -3.4890000000e-04 -2.8567000000e-03 -1.6988000000e-03  3.4454000000e-03 -4.3600000000e-04 -3.1700000000e-04 -3.9011000000e-03  3.3092000000e-03  2.0290000000e-03  4.4190000000e-04
-
-JOB 85
-COORDS -1.6156970000e+00 -3.2278380000e+00  3.0080430000e+00 -1.7872710000e+00 -2.4510550000e+00  2.4756870000e+00 -1.8156060000e+00 -3.9639960000e+00  2.4298220000e+00  1.6263520000e+00  3.2320000000e+00 -3.0061440000e+00  2.1786820000e+00  2.5439300000e+00 -2.6350330000e+00  1.3121770000e+00  3.7231160000e+00 -2.2469790000e+00
-ENERGY -1.526540930291e+02
-FORCES -1.6073000000e-03  9.0400000000e-05 -4.5230000000e-03  7.7350000000e-04 -3.1178000000e-03  2.1767000000e-03  8.4590000000e-04  3.0277000000e-03  2.3612000000e-03  1.0813000000e-03 -7.1100000000e-04  4.5956000000e-03 -2.3241000000e-03  2.7674000000e-03 -1.5130000000e-03  1.2307000000e-03 -2.0567000000e-03 -3.0975000000e-03
-
-JOB 86
-COORDS  3.3670000000e-03  4.7457590000e+00  9.1760300000e-01 -3.6613500000e-01  3.9202410000e+00  6.0420100000e-01  9.4844700000e-01  4.6436880000e+00  8.0518700000e-01 -5.9778000000e-02 -4.7580010000e+00 -8.9660300000e-01  2.5139400000e-01 -4.1938380000e+00 -1.6045040000e+00 -4.8560000000e-03 -4.2116640000e+00 -1.1255500000e-01
-ENERGY -1.526539072407e+02
-FORCES  2.3343000000e-03 -3.6772000000e-03 -1.7312000000e-03  1.5450000000e-03  3.3002000000e-03  1.2791000000e-03 -3.8784000000e-03  3.5010000000e-04  4.5090000000e-04  1.4852000000e-03  4.4248000000e-03  3.0960000000e-04 -1.2720000000e-03 -2.2390000000e-03  2.9247000000e-03 -2.1420000000e-04 -2.1588000000e-03 -3.2331000000e-03
-
-JOB 87
-COORDS -1.6257070000e+00  2.3179200000e+00 -4.5926550000e+00 -1.9276610000e+00  1.8292800000e+00 -3.8269620000e+00 -1.4408120000e+00  1.6458280000e+00 -5.2486570000e+00  1.5987520000e+00 -2.3061700000e+00  4.5845580000e+00  1.3016600000e+00 -1.4301340000e+00  4.8305850000e+00  2.5251150000e+00 -2.1942840000e+00  4.3711000000e+00
-ENERGY -1.526541383269e+02
-FORCES -5.0730000000e-04 -4.7664000000e-03  4.3250000000e-04  1.2482000000e-03  2.0210000000e-03 -3.1123000000e-03 -7.4140000000e-04  2.7541000000e-03  2.6722000000e-03  2.6024000000e-03  4.0363000000e-03  1.9570000000e-04  1.1917000000e-03 -3.5817000000e-03 -1.0343000000e-03 -3.7936000000e-03 -4.6340000000e-04  8.4620000000e-04
-
-JOB 88
-COORDS  4.1487110000e+00 -4.4831060000e+00 -3.0161900000e-01  4.7894930000e+00 -3.9530750000e+00 -7.7564100000e-01  3.8729690000e+00 -5.1477100000e+00 -9.3288800000e-01 -4.1083120000e+00  4.5133470000e+00  3.5184900000e-01 -4.4158560000e+00  3.6502720000e+00  6.2888800000e-01 -4.9078830000e+00  5.0251780000e+00  2.2959200000e-01
-ENERGY -1.526540779030e+02
-FORCES  1.4939000000e-03 -5.0680000000e-04 -4.5140000000e-03 -2.6079000000e-03 -2.1867000000e-03  1.9322000000e-03  1.1174000000e-03  2.6957000000e-03  2.5797000000e-03 -4.4967000000e-03 -1.4605000000e-03  6.6110000000e-04  1.2343000000e-03  3.5375000000e-03 -1.1464000000e-03  3.2591000000e-03 -2.0792000000e-03  4.8740000000e-04
-
-JOB 89
-COORDS -4.8172950000e+00 -4.0599410000e+00  2.9504400000e-01 -4.3783540000e+00 -4.5115280000e+00 -4.2581000000e-01 -5.7400890000e+00 -4.0431180000e+00  4.1270000000e-02  4.9001800000e+00  4.1109700000e+00 -2.0690800000e-01  4.7200310000e+00  3.1987020000e+00 -4.3394300000e-01  4.1370870000e+00  4.5928410000e+00 -5.2584600000e-01
-ENERGY -1.526540934232e+02
-FORCES -2.0088000000e-03 -1.8147000000e-03 -3.9499000000e-03 -1.7705000000e-03  1.8689000000e-03  2.9314000000e-03  3.7772000000e-03 -5.5000000000e-05  1.0241000000e-03 -3.8786000000e-03 -1.7729000000e-03 -2.1876000000e-03  7.5470000000e-04  3.7264000000e-03  9.0140000000e-04  3.1260000000e-03 -1.9526000000e-03  1.2807000000e-03
-
-JOB 0
-COORDS -7.6200000000e-02 -6.6890900000e-01  1.0201340000e+00  8.3464100000e-01 -4.0317800000e-01  1.1465820000e+00 -2.2107000000e-02 -1.5768040000e+00  7.2175000000e-01  4.4986000000e-02  6.9895000000e-01 -1.0719360000e+00 -1.2195200000e-01  8.3837000000e-02 -3.5779400000e-01 -3.0610900000e-01  1.5322390000e+00 -7.5793700000e-01
-ENERGY -1.526532429773e+02
-FORCES  4.1883000000e-03  9.2915000000e-03 -1.4238700000e-02 -6.6717000000e-03 -7.3620000000e-04 -3.8328000000e-03  1.8120000000e-04  7.7621000000e-03 -1.5338000000e-03 -6.0611000000e-03 -1.4884900000e-02  2.5193300000e-02  6.7086000000e-03  1.0116000000e-03 -6.3180000000e-03  1.6547000000e-03 -2.4442000000e-03  7.2990000000e-04
-
-JOB 1
-COORDS -5.4358900000e-01  9.8094100000e-01  5.5551000000e-01 -1.6441100000e-01  1.6333450000e+00 -3.3407000000e-02  2.0830000000e-01  6.0526300000e-01  1.0135070000e+00  5.4195700000e-01 -9.9650600000e-01 -5.5938000000e-01  4.4117000000e-02 -1.8125520000e+00 -5.0981800000e-01 -1.0912400000e-01 -3.0922400000e-01 -4.1807300000e-01
-ENERGY -1.526543388448e+02
-FORCES  1.1833100000e-02 -1.0504700000e-02 -3.8186000000e-03 -1.9092000000e-03 -7.3275000000e-03  8.8960000000e-04 -5.6995000000e-03 -2.5280000000e-04 -6.3699000000e-03 -1.4299200000e-02  1.6556300000e-02  7.4809000000e-03 -9.4900000000e-05  4.2409000000e-03  1.3130000000e-03  1.0169700000e-02 -2.7122000000e-03  5.0500000000e-04
-
-JOB 2
-COORDS  6.0304900000e-01 -6.9802800000e-01  8.9284500000e-01 -2.1514400000e-01 -1.0502950000e+00  1.2431310000e+00  7.3370200000e-01  1.2276900000e-01  1.3676650000e+00 -5.3828200000e-01  7.1635700000e-01 -9.7971400000e-01 -2.6826600000e-01  4.1249300000e-01 -1.1311700000e-01 -1.3522330000e+00  2.4471800000e-01 -1.1565560000e+00
-ENERGY -1.526485600239e+02
-FORCES -4.2409000000e-03  3.8170000000e-03 -4.4163000000e-03  2.7819000000e-03  5.1960000000e-03 -5.6136000000e-03 -5.6985000000e-03 -2.5708000000e-03 -9.2319000000e-03  8.3181000000e-03 -1.4725200000e-02  1.2417900000e-02 -3.8988000000e-03  7.6890000000e-03  4.7712000000e-03  2.7383000000e-03  5.9400000000e-04  2.0727000000e-03
-
-JOB 3
-COORDS -1.1146220000e+00 -3.5767200000e-01 -3.6834500000e-01 -1.2116140000e+00 -1.0540010000e+00 -1.0179220000e+00 -2.0087300000e+00 -6.0193000000e-02 -2.0009100000e-01  1.2098180000e+00  3.4206200000e-01  3.5706200000e-01  2.5982800000e-01  4.5401000000e-01  3.2217300000e-01  1.4913580000e+00  9.0417600000e-01  1.0788630000e+00
-ENERGY -1.526554683752e+02
-FORCES  1.2251700000e-02 -6.5840000000e-04  3.5400000000e-05 -2.7974000000e-03  3.3571000000e-03  3.0757000000e-03  5.4316000000e-03 -8.7030000000e-04 -1.8870000000e-04 -1.4759600000e-02 -5.0847000000e-03 -4.8947000000e-03  4.4452000000e-03  4.9090000000e-03  4.1852000000e-03 -4.5715000000e-03 -1.6527000000e-03 -2.2130000000e-03
-
-JOB 4
-COORDS  9.1305600000e-01  4.2718700000e-01  9.3456100000e-01  4.7605000000e-01 -2.4806400000e-01  4.1562600000e-01  4.6336800000e-01  1.2388890000e+00  6.9971400000e-01 -8.4119100000e-01 -3.8470800000e-01 -9.0864500000e-01 -3.6451700000e-01 -1.2146160000e+00 -9.2493400000e-01 -1.6867290000e+00 -6.0127500000e-01 -5.1571100000e-01
-ENERGY -1.526519047944e+02
-FORCES -1.4399600000e-02 -7.4100000000e-05 -1.4042000000e-02  3.6391000000e-03 -9.0287000000e-03  1.7850000000e-04  2.3289000000e-03  2.8810000000e-04  3.2825000000e-03  2.2124000000e-03 -5.0520000000e-04  5.4444000000e-03  8.3410000000e-04  7.7573000000e-03  6.4942000000e-03  5.3851000000e-03  1.5627000000e-03 -1.3577000000e-03
-
-JOB 5
-COORDS -1.9890300000e-01 -7.8487800000e-01 -1.1189830000e+00 -4.6686600000e-01 -1.1393200000e-01 -4.9108200000e-01  5.2902000000e-01 -1.2363570000e+00 -6.9175300000e-01  1.2250300000e-01  7.5409800000e-01  1.0031610000e+00  9.8758000000e-02  4.9611500000e-01  1.9246340000e+00  9.1690300000e-01  1.2819160000e+00  9.2211100000e-01
-ENERGY -1.526571252243e+02
-FORCES  4.0259000000e-03  8.5429000000e-03  1.6535700000e-02 -2.7612000000e-03 -9.4570000000e-04 -5.2963000000e-03 -4.5790000000e-04 -7.2790000000e-04 -2.2922000000e-03  9.7260000000e-04 -4.5396000000e-03 -5.8433000000e-03  1.7739000000e-03  1.0823000000e-03 -4.7325000000e-03 -3.5532000000e-03 -3.4121000000e-03  1.6285000000e-03
-
-JOB 6
-COORDS  7.7358800000e-01 -9.8609700000e-01 -6.0861400000e-01  7.9959500000e-01 -3.3386700000e-01  9.1495000000e-02  4.5208000000e-02 -7.1138600000e-01 -1.1655950000e+00 -7.0290300000e-01  9.1140800000e-01  5.2975500000e-01 -1.1688980000e+00  2.9280500000e-01  1.0922600000e+00 -6.8413700000e-01  1.7257490000e+00  1.0324760000e+00
-ENERGY -1.526573471857e+02
-FORCES -8.9676000000e-03  1.4408600000e-02  3.8007000000e-03  3.4690000000e-03 -5.0926000000e-03  1.6446000000e-03  1.2323000000e-03 -3.7788000000e-03 -4.3870000000e-04 -2.5740000000e-04 -3.9164000000e-03 -1.9300000000e-05  3.6980000000e-03  3.4716000000e-03 -2.9568000000e-03  8.2570000000e-04 -5.0924000000e-03 -2.0305000000e-03
-
-JOB 7
-COORDS -5.4425100000e-01 -1.1009190000e+00  6.1231600000e-01 -1.4912750000e+00 -9.6202700000e-01  6.2163100000e-01 -1.8060400000e-01 -2.5730300000e-01  3.4342100000e-01  5.5191100000e-01  9.7420200000e-01 -5.7746200000e-01  4.4070100000e-01  1.4345070000e+00 -1.4093170000e+00  1.0566650000e+00  1.5792560000e+00 -3.3988000000e-02
-ENERGY -1.526578321900e+02
-FORCES  4.5786000000e-03  1.3596800000e-02 -8.7146000000e-03  2.7401000000e-03  4.3860000000e-04 -8.1280000000e-04 -1.1229000000e-03 -3.8403000000e-03  6.9883000000e-03 -4.4879000000e-03 -6.3498000000e-03  6.3580000000e-04  1.9190000000e-03 -3.1670000000e-04  4.7452000000e-03 -3.6268000000e-03 -3.5286000000e-03 -2.8420000000e-03
-
-JOB 8
-COORDS  4.7351400000e-01  5.8418000000e-02  1.1842440000e+00 -2.0824600000e-01 -2.0106000000e-02  1.8515290000e+00  9.9183700000e-01  8.1493100000e-01  1.4585810000e+00 -4.9281700000e-01 -5.7462000000e-02 -1.2441600000e+00 -8.0077000000e-02 -4.0458100000e-01 -4.5334700000e-01 -2.8088500000e-01 -6.9563700000e-01 -1.9253720000e+00
-ENERGY -1.526583307336e+02
-FORCES -3.3311000000e-03  4.8101000000e-03 -7.4958000000e-03  3.5308000000e-03  5.7150000000e-04 -3.2584000000e-03 -2.7730000000e-03 -3.6275000000e-03  1.1309000000e-03  5.9436000000e-03  4.3540000000e-04  1.2715000000e-02 -4.2856000000e-03 -3.6508000000e-03 -7.5692000000e-03  9.1530000000e-04  1.4613000000e-03  4.4774000000e-03
-
-JOB 9
-COORDS -1.1411390000e+00  4.8640800000e-01  4.0744400000e-01 -1.5008600000e+00  3.9798800000e-01  1.2900620000e+00 -1.5527860000e+00 -2.1931200000e-01 -9.1292000000e-02  1.1908520000e+00 -4.9712600000e-01 -4.4735400000e-01  1.8187060000e+00  1.9697800000e-01 -6.4798200000e-01  5.1245100000e-01 -6.4548000000e-02  7.1182000000e-02
-ENERGY -1.526604387411e+02
-FORCES  1.1585000000e-03 -4.8244000000e-03 -2.5703000000e-03  2.4095000000e-03 -4.7090000000e-04 -4.8736000000e-03  3.0802000000e-03  3.7410000000e-03  4.3469000000e-03 -1.1401300000e-02  8.6912000000e-03  5.6459000000e-03 -2.6452000000e-03 -1.2100000000e-03  1.3201000000e-03  7.3983000000e-03 -5.9269000000e-03 -3.8690000000e-03
-
-JOB 10
-COORDS -1.2375260000e+00  4.9125300000e-01  5.1817100000e-01 -1.6910240000e+00 -3.3713000000e-01  3.6211700000e-01 -6.0020900000e-01  5.5368500000e-01 -1.9327900000e-01  1.1704950000e+00 -4.5446800000e-01 -4.7587300000e-01  1.8107210000e+00 -1.1655910000e+00 -5.0131100000e-01  1.6897700000e+00  3.2970500000e-01 -2.9794500000e-01
-ENERGY -1.526553470482e+02
-FORCES  8.4657000000e-03 -9.2148000000e-03 -5.5296000000e-03 -4.2390000000e-04  2.7610000000e-03  1.2007000000e-03 -1.9753000000e-03  5.8524000000e-03  1.4347000000e-03  4.8950000000e-04  3.4590000000e-04  4.0763000000e-03 -2.4357000000e-03  3.3669000000e-03  8.4330000000e-04 -4.1203000000e-03 -3.1114000000e-03 -2.0254000000e-03
-
-JOB 11
-COORDS -1.1075250000e+00  8.3988900000e-01  3.2595500000e-01 -4.1758100000e-01  1.8521900000e-01  2.1817500000e-01 -1.9132110000e+00  3.2891700000e-01  4.0347800000e-01  1.0537580000e+00 -7.5731800000e-01 -3.1455100000e-01  1.6980880000e+00 -1.1346710000e+00  2.8434400000e-01  1.5453830000e+00 -5.8284100000e-01 -1.1171050000e+00
-ENERGY -1.526613870377e+02
-FORCES  7.9645000000e-03 -8.3328000000e-03 -2.7345000000e-03 -8.2448000000e-03  4.7991000000e-03  3.1525000000e-03  3.1402000000e-03  6.0790000000e-04 -3.1510000000e-04  5.0110000000e-04  3.3462000000e-03 -8.8190000000e-04 -2.5922000000e-03  1.7358000000e-03 -3.6735000000e-03 -7.6880000000e-04 -2.1562000000e-03  4.4525000000e-03
-
-JOB 12
-COORDS -3.3185900000e-01  1.3736910000e+00 -2.1196400000e-01 -3.8796800000e-01  4.1833300000e-01 -1.9262100000e-01 -9.1850600000e-01  1.6627460000e+00  4.8698200000e-01  4.1138200000e-01 -1.3030040000e+00  1.5196200000e-01  6.2120000000e-02 -2.1305650000e+00 -1.7878100000e-01 -1.1399600000e-01 -1.1144690000e+00  9.2956400000e-01
-ENERGY -1.526551642975e+02
-FORCES  1.8651000000e-03 -8.9511000000e-03 -6.9400000000e-05 -5.2157000000e-03  6.5723000000e-03  5.2120000000e-03  2.6115000000e-03 -3.5652000000e-03 -1.6066000000e-03 -6.0890000000e-04 -2.4935000000e-03  2.3710000000e-03  1.4051000000e-03  4.9858000000e-03  2.0418000000e-03 -5.7100000000e-05  3.4517000000e-03 -7.9487000000e-03
-
-JOB 13
-COORDS  6.0703000000e-02 -1.2583510000e+00  6.6282300000e-01 -2.2236100000e-01 -1.2936420000e+00 -2.5088500000e-01  1.0146010000e+00 -1.1940160000e+00  6.1623400000e-01 -1.5131800000e-01  1.2457950000e+00 -5.7398600000e-01 -6.6366000000e-02  1.8265280000e+00 -1.3301370000e+00  7.1839900000e-01  8.6013600000e-01 -4.6867000000e-01
-ENERGY -1.526509531456e+02
-FORCES -1.0255000000e-03  3.8902000000e-03 -5.6794000000e-03  3.3304000000e-03 -1.7751000000e-03  3.5592000000e-03 -3.8906000000e-03  2.9368000000e-03 -1.1149000000e-03  4.2249000000e-03 -8.2940000000e-04  2.0676000000e-03 -6.0980000000e-04 -4.2455000000e-03  3.6119000000e-03 -2.0295000000e-03  2.3100000000e-05 -2.4444000000e-03
-
-JOB 14
-COORDS -5.4040300000e-01 -5.9107300000e-01 -1.1229520000e+00 -1.0903700000e-01 -1.4411400000e+00 -1.2097960000e+00 -1.4712840000e+00 -8.0090400000e-01 -1.0476970000e+00  5.7681600000e-01  7.1184700000e-01  1.1356710000e+00  5.9869600000e-01 -2.6998000000e-02  1.7438330000e+00  3.4162600000e-01  3.2253300000e-01  2.9344000000e-01
-ENERGY -1.526601971174e+02
-FORCES -3.3418000000e-03 -2.1959000000e-03  1.4899000000e-03 -2.1515000000e-03  4.6568000000e-03  2.2673000000e-03  4.9952000000e-03 -3.8130000000e-04 -8.4740000000e-04 -5.2041000000e-03 -7.2077000000e-03 -8.5463000000e-03 -1.5390000000e-04  1.6764000000e-03 -2.0510000000e-03  5.8560000000e-03  3.4518000000e-03  7.6875000000e-03
-
-JOB 15
-COORDS  1.1339270000e+00 -5.6427800000e-01  6.6435900000e-01  1.8377710000e+00 -5.2517000000e-02  1.0630270000e+00  5.7887400000e-01  8.5797000000e-02  2.3360300000e-01 -1.1037170000e+00  5.5379700000e-01 -6.4911000000e-01 -8.8265600000e-01 -2.3279700000e-01 -1.1477420000e+00 -2.0031790000e+00  4.0740300000e-01 -3.5624500000e-01
-ENERGY -1.526601798479e+02
-FORCES -5.5392000000e-03  6.8679000000e-03 -1.5239000000e-03 -3.2324000000e-03 -7.1020000000e-04 -1.4898000000e-03  7.8725000000e-03 -6.4500000000e-03 -5.7950000000e-04 -3.5219000000e-03 -5.1607000000e-03  1.7454000000e-03  9.5370000000e-04  5.0766000000e-03  4.5598000000e-03  3.4673000000e-03  3.7640000000e-04 -2.7121000000e-03
-
-JOB 16
-COORDS -1.3495840000e+00 -5.5593700000e-01 -7.3241000000e-02 -4.6763900000e-01 -2.1903400000e-01  8.4564000000e-02 -1.7772400000e+00  1.2498200000e-01 -5.9255800000e-01  1.2783290000e+00  4.6980500000e-01  1.0434000000e-01  1.7184770000e+00  1.0966650000e+00  6.7840200000e-01  1.8499430000e+00  4.0239000000e-01 -6.6047600000e-01
-ENERGY -1.526613798336e+02
-FORCES  9.4687000000e-03  6.4245000000e-03 -1.1170000000e-04 -8.4749000000e-03 -3.7741000000e-03 -7.3350000000e-04  1.2707000000e-03 -1.8909000000e-03  1.2149000000e-03  7.4930000000e-04  3.6040000000e-04 -7.1890000000e-04 -9.9920000000e-04 -2.6912000000e-03 -3.8497000000e-03 -2.0145000000e-03  1.5713000000e-03  4.1989000000e-03
-
-JOB 17
-COORDS  3.1042600000e-01 -9.3950000000e-03 -1.3617430000e+00  3.9338200000e-01  8.8117000000e-01 -1.7026890000e+00 -4.8772600000e-01 -3.4821300000e-01 -1.7671890000e+00 -2.6048400000e-01 -5.6815000000e-02  1.4652640000e+00 -9.0317300000e-01  6.2805100000e-01  1.2804910000e+00  2.2192500000e-01 -1.6081300000e-01  6.4508200000e-01
-ENERGY -1.526598724133e+02
-FORCES -3.6428000000e-03  1.4779000000e-03 -2.0184000000e-03 -1.4811000000e-03 -4.2622000000e-03  2.1643000000e-03  3.7844000000e-03  2.7516000000e-03  1.8774000000e-03  1.2456000000e-03  2.2932000000e-03 -1.1995500000e-02  1.0543000000e-03 -1.6142000000e-03  1.1529000000e-03 -9.6040000000e-04 -6.4640000000e-04  8.8193000000e-03
-
-JOB 18
-COORDS  1.0918260000e+00 -4.8837700000e-01  8.5222600000e-01  1.6518030000e+00 -9.2013700000e-01  2.0705900000e-01  4.3707000000e-01 -2.5023000000e-02  3.2989600000e-01 -1.0248770000e+00  5.2133600000e-01 -7.7339100000e-01 -1.6666210000e+00  7.3272700000e-01 -1.4514090000e+00 -1.4149820000e+00 -2.0894500000e-01 -2.9303700000e-01
-ENERGY -1.526586798667e+02
-FORCES -1.8103000000e-03  4.1330000000e-03 -8.3905000000e-03 -1.7087000000e-03  8.7880000000e-04  2.3463000000e-03 -1.2610000000e-03 -6.5153000000e-03  5.7796000000e-03 -2.5002000000e-03 -7.7900000000e-04 -1.2008000000e-03  1.6932000000e-03 -2.2787000000e-03  3.4665000000e-03  5.5870000000e-03  4.5612000000e-03 -2.0012000000e-03
-
-JOB 19
-COORDS -1.8949900000e-01 -3.4485400000e-01 -1.4339160000e+00 -5.7813000000e-01 -1.2031320000e+00 -1.2649270000e+00 -4.9510400000e-01  2.0345300000e-01 -7.1128500000e-01  1.5814200000e-01  3.5347600000e-01  1.4122840000e+00  6.1515800000e-01 -8.4821000000e-02  6.9446500000e-01  8.0834600000e-01  9.5122500000e-01  1.7812870000e+00
-ENERGY -1.526585584572e+02
-FORCES -6.6915000000e-03  5.6010000000e-04  3.2654000000e-03  3.0551000000e-03  3.6815000000e-03  1.1410000000e-04  6.9932000000e-03 -5.2638000000e-03 -2.5504000000e-03  6.1670000000e-03 -3.2910000000e-04 -1.3129000000e-03 -7.1481000000e-03  4.2927000000e-03  2.5598000000e-03 -2.3756000000e-03 -2.9415000000e-03 -2.0760000000e-03
-
-JOB 20
-COORDS  1.2598950000e+00 -2.8359500000e-01 -7.5079200000e-01  4.6729200000e-01 -1.8738000000e-02 -2.8403400000e-01  1.0191360000e+00 -2.4052300000e-01 -1.6762170000e+00 -1.1483250000e+00  2.9924300000e-01  7.4369600000e-01 -1.6639060000e+00 -4.5170300000e-01  4.4960600000e-01 -1.4440610000e+00  4.5706400000e-01  1.6402810000e+00
-ENERGY -1.526607417960e+02
-FORCES -7.5843000000e-03  3.9963000000e-03  3.3040000000e-03  6.0912000000e-03 -4.2386000000e-03 -7.1383000000e-03 -3.1340000000e-04 -5.7920000000e-04  3.2956000000e-03 -1.3612000000e-03 -1.6454000000e-03  4.0827000000e-03  3.5637000000e-03  3.9908000000e-03  8.3790000000e-04 -3.9590000000e-04 -1.5240000000e-03 -4.3818000000e-03
-
-JOB 21
-COORDS  1.6235700000e-01 -4.6706100000e-01  1.4032580000e+00  5.3419700000e-01 -1.6415000000e-01  5.7487900000e-01  8.0658500000e-01 -1.0884280000e+00  1.7425310000e+00 -1.7025800000e-01  5.2654400000e-01 -1.3581280000e+00 -1.0973080000e+00  5.3134600000e-01 -1.1198290000e+00 -7.5036000000e-02 -2.3025400000e-01 -1.9364200000e+00
-ENERGY -1.526604436757e+02
-FORCES  3.0858000000e-03  1.9649000000e-03 -5.9097000000e-03  2.9390000000e-04 -4.5796000000e-03  8.7816000000e-03 -1.9780000000e-03  2.1290000000e-03 -2.6469000000e-03 -6.4851000000e-03 -2.6394000000e-03 -1.5970000000e-03  4.8447000000e-03  3.5900000000e-05 -2.1595000000e-03  2.3880000000e-04  3.0893000000e-03  3.5314000000e-03
-
-JOB 22
-COORDS  5.8260000000e-02  1.0875500000e+00 -1.0975990000e+00  8.6143700000e-01  1.4353260000e+00 -7.1005500000e-01 -2.0784400000e-01  3.8310200000e-01 -5.0669000000e-01 -9.9330000000e-02 -9.9838700000e-01  1.0059610000e+00 -1.5059300000e-01 -1.8536490000e+00  5.7919300000e-01  7.8845000000e-02 -1.1989650000e+00  1.9247940000e+00
-ENERGY -1.526603463895e+02
-FORCES  2.1546000000e-03 -4.7036000000e-03  8.9450000000e-03 -2.0255000000e-03  8.6800000000e-05 -1.9572000000e-03 -6.4160000000e-04  3.1711000000e-03 -7.6591000000e-03  8.0010000000e-04 -2.6499000000e-03  2.9501000000e-03  1.1960000000e-04  4.6600000000e-03  2.0313000000e-03 -4.0710000000e-04 -5.6440000000e-04 -4.3101000000e-03
-
-JOB 23
-COORDS  2.9015400000e-01 -1.4185190000e+00  9.1300000000e-04  8.9946300000e-01 -1.6987890000e+00 -6.8203900000e-01 -1.1554500000e-01 -2.2292700000e+00  3.0803400000e-01 -2.5529100000e-01  1.5180120000e+00  4.0919000000e-02 -4.6444000000e-01  6.0906400000e-01  2.5609800000e-01 -9.6247600000e-01  1.7956150000e+00 -5.4136800000e-01
-ENERGY -1.526595772715e+02
-FORCES  3.4767000000e-03 -3.4100000000e-03 -2.9386000000e-03 -3.1308000000e-03 -6.0140000000e-04  3.2976000000e-03  1.5575000000e-03  3.9967000000e-03 -1.7093000000e-03 -1.6496000000e-03 -7.3094000000e-03 -1.1564000000e-03 -2.6694000000e-03  8.6268000000e-03  7.3310000000e-04  2.4156000000e-03 -1.3028000000e-03  1.7736000000e-03
-
-JOB 24
-COORDS -3.1349400000e-01 -6.1559400000e-01 -1.3088470000e+00  6.0897600000e-01 -4.6863300000e-01 -1.5178530000e+00 -4.5204400000e-01 -1.5477240000e+00 -1.4766840000e+00  2.0538000000e-01  6.5033200000e-01  1.3305600000e+00  6.8580600000e-01  1.2639160000e+00  7.7473900000e-01  8.6562600000e-01  3.0141800000e-01  1.9293640000e+00
-ENERGY -1.526497396266e+02
-FORCES  3.4166000000e-03 -2.8938000000e-03  2.4598000000e-03 -3.3008000000e-03  6.2740000000e-04  6.4390000000e-04  5.7450000000e-04  3.7902000000e-03  7.9120000000e-04  2.9622000000e-03  1.6840000000e-04 -3.1539000000e-03 -8.3920000000e-04 -2.3739000000e-03  2.3427000000e-03 -2.8134000000e-03  6.8180000000e-04 -3.0837000000e-03
-
-JOB 25
-COORDS  1.0248740000e+00  1.0379950000e+00 -2.3715400000e-01  1.7120020000e+00  1.1962050000e+00  4.1019200000e-01  1.4796360000e+00  6.3324300000e-01 -9.7580000000e-01 -1.0636360000e+00 -1.0802860000e+00  2.5568200000e-01 -1.9305420000e+00 -8.2138900000e-01 -5.6853000000e-02 -5.7081300000e-01 -2.6103200000e-01  3.0235700000e-01
-ENERGY -1.526615550160e+02
-FORCES  5.9993000000e-03 -1.2849000000e-03 -1.7414000000e-03 -3.0924000000e-03 -1.0283000000e-03 -3.2456000000e-03 -1.5359000000e-03  2.6706000000e-03  3.7593000000e-03  2.4607000000e-03  7.4830000000e-03 -1.2989000000e-03  3.1378000000e-03 -5.5100000000e-04  7.4230000000e-04 -6.9695000000e-03 -7.2896000000e-03  1.7843000000e-03
-
-JOB 26
-COORDS  4.6038200000e-01 -8.7857600000e-01  1.0743630000e+00  9.0883200000e-01 -1.6109720000e+00  1.4971160000e+00 -1.3560600000e-01 -5.4325100000e-01  1.7441290000e+00 -4.9297200000e-01  9.4119600000e-01 -1.1652040000e+00  4.4902300000e-01  1.0923600000e+00 -1.0875720000e+00 -6.3608400000e-01  9.5329000000e-02 -7.4063400000e-01
-ENERGY -1.526594061917e+02
-FORCES  1.6090000000e-04 -1.6117000000e-03  5.2483000000e-03 -2.0094000000e-03  3.7661000000e-03 -1.3130000000e-03  2.4806000000e-03 -2.3667000000e-03 -3.7251000000e-03  6.0733000000e-03 -5.9489000000e-03  4.7348000000e-03 -3.1092000000e-03  1.5761000000e-03 -1.9175000000e-03 -3.5962000000e-03  4.5851000000e-03 -3.0276000000e-03
-
-JOB 27
-COORDS  4.2505200000e-01 -4.4083100000e-01 -1.4312370000e+00  8.6348000000e-02 -7.2536000000e-02 -6.1522800000e-01  3.9589400000e-01  2.8631600000e-01 -2.0530390000e+00 -3.5294500000e-01  3.3172800000e-01  1.4408700000e+00 -1.2503610000e+00  7.2689000000e-02  1.2316420000e+00 -3.3946900000e-01  1.2795050000e+00  1.3075730000e+00
-ENERGY -1.526579541737e+02
-FORCES -5.9130000000e-04  3.7522000000e-03  5.8313000000e-03 -1.1639000000e-03 -6.6320000000e-04 -1.0015800000e-02 -3.5330000000e-04 -2.0016000000e-03  3.2974000000e-03 -4.2575000000e-03  2.9154000000e-03  4.4014000000e-03  6.2031000000e-03  1.7379000000e-03 -1.5900000000e-03  1.6290000000e-04 -5.7406000000e-03 -1.9242000000e-03
-
-JOB 28
-COORDS  1.2600500000e+00 -7.4692900000e-01 -5.1401900000e-01  8.6520800000e-01  9.2565000000e-02 -2.7826000000e-01  1.6714150000e+00 -5.8847600000e-01 -1.3636680000e+00 -1.2372930000e+00  7.2260100000e-01  4.9646900000e-01 -1.0137170000e+00 -1.3850800000e-01  8.4965000000e-01 -1.9137300000e+00  1.0556110000e+00  1.0861890000e+00
-ENERGY -1.526593789240e+02
-FORCES -9.3950000000e-04  5.5703000000e-03 -3.4472000000e-03  3.1565000000e-03 -6.8574000000e-03  1.2870000000e-04 -1.1360000000e-03 -3.5380000000e-04  3.1456000000e-03 -3.7327000000e-03 -2.4413000000e-03  3.9134000000e-03  2.7310000000e-04  6.3729000000e-03 -1.3619000000e-03  2.3786000000e-03 -2.2907000000e-03 -2.3785000000e-03
-
-JOB 29
-COORDS -7.8479800000e-01 -1.0794540000e+00  6.6394500000e-01 -1.0863040000e+00 -1.9522260000e+00  9.1612600000e-01 -6.8521400000e-01 -6.1116000000e-01  1.4928080000e+00  8.4908200000e-01  1.0735830000e+00 -7.3315800000e-01  6.3522900000e-01  2.0034060000e+00 -8.1015400000e-01  3.0533000000e-02  6.6110900000e-01 -4.5734200000e-01
-ENERGY -1.526583598837e+02
-FORCES  1.0030000000e-04 -4.3139000000e-03  4.0043000000e-03  1.3630000000e-03  3.8064000000e-03  2.3010000000e-04 -1.3020000000e-03 -1.1017000000e-03 -4.8723000000e-03 -5.0291000000e-03 -1.7901000000e-03  1.5370000000e-04  3.2870000000e-04 -3.8085000000e-03  1.0341000000e-03  4.5391000000e-03  7.2078000000e-03 -5.5000000000e-04
-
-JOB 30
-COORDS -1.3032980000e+00 -1.1718700000e-01  7.6617000000e-01 -1.0483730000e+00  6.7461800000e-01  1.2397630000e+00 -2.1083530000e+00  1.2547900000e-01  3.0875100000e-01  1.3986010000e+00  6.6968000000e-02 -7.9109800000e-01  1.0808190000e+00  5.6401000000e-02  1.1175000000e-01  6.0438300000e-01  5.4443000000e-02 -1.3252260000e+00
-ENERGY -1.526566076369e+02
-FORCES -4.1590000000e-03  3.9672000000e-03  4.6680000000e-04  1.0326000000e-03 -4.3664000000e-03 -3.2225000000e-03  4.0648000000e-03 -9.6870000000e-04  1.6657000000e-03 -9.1298000000e-03 -2.5775000000e-03  3.1363000000e-03  4.3172000000e-03  2.7422000000e-03 -1.0225000000e-03  3.8742000000e-03  1.2032000000e-03 -1.0239000000e-03
-
-JOB 31
-COORDS -1.3774170000e+00  5.6042900000e-01 -1.8914800000e-01 -2.1890590000e+00  4.1178300000e-01  2.9600500000e-01 -1.6092490000e+00  1.2121010000e+00 -8.5082000000e-01  1.4356090000e+00 -6.3011100000e-01  2.4912500000e-01  2.0810380000e+00  1.7166000000e-02 -3.4927000000e-02  7.1136900000e-01 -5.3424900000e-01 -3.6935600000e-01
-ENERGY -1.526574318355e+02
-FORCES -5.1036000000e-03  1.8837000000e-03  1.8607000000e-03  3.0125000000e-03  1.4228000000e-03 -2.7189000000e-03  1.7938000000e-03 -3.1462000000e-03  2.7787000000e-03 -4.8817000000e-03  4.7689000000e-03 -2.9029000000e-03 -2.1214000000e-03 -2.1899000000e-03  7.6290000000e-04  7.3006000000e-03 -2.7393000000e-03  2.1950000000e-04
-
-JOB 32
-COORDS  1.5228400000e-01  1.3060540000e+00  7.6259700000e-01 -7.9501300000e-01  1.3310280000e+00  6.2755700000e-01  3.1902400000e-01  1.9823890000e+00  1.4191040000e+00 -1.2754400000e-01 -1.3756290000e+00 -7.2993800000e-01 -2.7482100000e-01 -4.4940900000e-01 -9.2140000000e-01  2.6812300000e-01 -1.7257270000e+00 -1.5281300000e+00
-ENERGY -1.526542531153e+02
-FORCES -2.4547000000e-03  2.5025000000e-03  4.4942000000e-03  4.9095000000e-03 -8.7820000000e-04 -2.1140000000e-03 -8.5570000000e-04 -3.0106000000e-03 -2.5842000000e-03  3.2226000000e-03  4.4613000000e-03 -2.3748000000e-03 -3.4558000000e-03 -4.3921000000e-03 -6.9620000000e-04 -1.3658000000e-03  1.3169000000e-03  3.2750000000e-03
-
-JOB 33
-COORDS  9.3923000000e-02 -1.4126450000e+00  7.2044300000e-01 -6.3550100000e-01 -1.6122220000e+00  1.3072490000e+00 -2.8553100000e-01 -8.4351300000e-01  5.0865000000e-02  5.6880000000e-03  1.3311660000e+00 -6.9863000000e-01  1.2906600000e-01  1.8920080000e+00 -1.4644410000e+00 -7.1371400000e-01  1.7385570000e+00 -2.1621500000e-01
-ENERGY -1.526574290195e+02
-FORCES -2.5788000000e-03  4.2067000000e-03 -2.8223000000e-03  2.4374000000e-03  1.6677000000e-03 -2.2188000000e-03 -1.2789000000e-03 -6.5470000000e-03  5.0794000000e-03 -4.1420000000e-04  5.9498000000e-03 -1.3342000000e-03 -7.2660000000e-04 -2.0001000000e-03  3.9173000000e-03  2.5611000000e-03 -3.2771000000e-03 -2.6214000000e-03
-
-JOB 34
-COORDS -3.5851300000e-01  1.0916330000e+00 -1.0513830000e+00 -3.4512100000e-01  2.5355200000e-01 -1.5136300000e+00 -8.9565200000e-01  1.6610130000e+00 -1.6023090000e+00  3.7962500000e-01 -1.1039330000e+00  1.0435910000e+00  7.5368300000e-01 -1.4552080000e+00  1.8516250000e+00  7.6744000000e-02 -2.2738600000e-01  1.2805730000e+00
-ENERGY -1.526583479298e+02
-FORCES -1.4061000000e-03 -2.3565000000e-03 -5.0130000000e-03 -1.0476000000e-03  5.2242000000e-03  6.4320000000e-04  2.2328000000e-03 -2.5525000000e-03  2.1383000000e-03  7.9200000000e-05  3.8765000000e-03  3.4383000000e-03 -1.5619000000e-03  1.8148000000e-03 -2.9753000000e-03  1.7036000000e-03 -6.0065000000e-03  1.7685000000e-03
-
-JOB 35
-COORDS -4.1302300000e-01  1.6100740000e+00  1.4780200000e-01 -4.6719600000e-01  9.0259900000e-01 -4.9467400000e-01  4.0706000000e-02  1.2210460000e+00  8.9547800000e-01  4.1766800000e-01 -1.4902360000e+00 -1.2256500000e-01 -4.9513800000e-01 -1.6371740000e+00 -3.7040900000e-01  8.7059200000e-01 -2.2900970000e+00 -3.8961100000e-01
-ENERGY -1.526573638862e+02
-FORCES  4.6552000000e-03 -6.9482000000e-03  4.3490000000e-04 -3.3843000000e-03  3.3306000000e-03  1.1635000000e-03 -2.6528000000e-03  3.6519000000e-03 -1.4701000000e-03 -6.0230000000e-04 -6.0313000000e-03 -1.8367000000e-03  4.4662000000e-03  2.7054000000e-03  4.1250000000e-04 -2.4819000000e-03  3.2917000000e-03  1.2959000000e-03
-
-JOB 36
-COORDS  1.6337170000e+00  4.8197000000e-02 -2.3665900000e-01  6.7721400000e-01  7.0049000000e-02 -2.0740800000e-01  1.8857920000e+00 -4.6127800000e-01  5.3348700000e-01 -1.5354780000e+00 -1.8771000000e-02  2.1731600000e-01 -2.1560000000e+00 -7.4729000000e-01  2.3841400000e-01 -1.9829690000e+00  6.6319600000e-01 -2.8358800000e-01
-ENERGY -1.526607402028e+02
-FORCES -6.6229000000e-03 -2.1110000000e-03  4.0490000000e-03  8.7952000000e-03  1.4038000000e-03 -2.1603000000e-03 -1.2160000000e-04  1.3823000000e-03 -2.6182000000e-03 -6.4047000000e-03 -8.7460000000e-04 -1.3873000000e-03  2.1003000000e-03  3.8050000000e-03 -2.7000000000e-06  2.2536000000e-03 -3.6056000000e-03  2.1195000000e-03
-
-JOB 37
-COORDS  2.7717800000e-01 -5.3691300000e-01  1.4813950000e+00 -9.9440000000e-02 -1.2856130000e+00  1.0189680000e+00  1.1866390000e+00 -7.8764500000e-01  1.6434080000e+00 -3.7334300000e-01  6.0267700000e-01 -1.4738370000e+00  1.9425800000e-01  9.4716800000e-01 -7.8435400000e-01  2.0411600000e-01  6.0978000000e-02 -2.0117350000e+00
-ENERGY -1.526565144400e+02
-FORCES -2.6940000000e-04 -5.6225000000e-03 -8.5130000000e-04  2.9299000000e-03  2.5182000000e-03  2.9472000000e-03 -3.7218000000e-03  1.8149000000e-03 -1.9535000000e-03  4.9993000000e-03 -1.4730000000e-04  3.6188000000e-03 -1.5706000000e-03  1.2170000000e-04 -6.1664000000e-03 -2.3674000000e-03  1.3149000000e-03  2.4053000000e-03
-
-JOB 38
-COORDS -7.5040500000e-01  2.4489000000e-02  1.3681490000e+00 -9.0821800000e-01 -7.7174700000e-01  1.8754310000e+00 -6.2597900000e-01  7.0789900000e-01  2.0267090000e+00  7.9863600000e-01  3.2985000000e-02 -1.4363840000e+00  7.0033900000e-01 -7.3304100000e-01 -2.0018700000e+00  1.0522800000e-01 -6.0373000000e-02 -7.8316000000e-01
-ENERGY -1.526598112314e+02
-FORCES  6.3480000000e-04  6.3110000000e-04  6.3310000000e-03  5.4110000000e-04  3.5525000000e-03 -2.1197000000e-03 -1.1747000000e-03 -3.6262000000e-03 -1.9380000000e-03 -4.3337000000e-03 -2.4332000000e-03  3.6831000000e-03  1.9420000000e-04  2.3636000000e-03  2.3465000000e-03  4.1383000000e-03 -4.8780000000e-04 -8.3030000000e-03
-
-JOB 39
-COORDS  2.6020000000e-03 -1.4514100000e+00  8.1112200000e-01  2.0157600000e-01 -1.3127630000e+00  1.7370910000e+00 -9.8111000000e-02 -5.6960300000e-01  4.5264700000e-01 -5.1113000000e-02  1.3669180000e+00 -8.0020000000e-01  7.6587500000e-01  1.0096240000e+00 -1.1482010000e+00 -1.7614300000e-01  2.1877830000e+00 -1.2764130000e+00
-ENERGY -1.526592565333e+02
-FORCES -1.5120000000e-03  5.9346000000e-03  1.7611000000e-03 -5.2890000000e-04 -6.9320000000e-04 -3.3033000000e-03  3.4940000000e-03 -7.2734000000e-03  2.0968000000e-03  1.4721000000e-03  4.3270000000e-03 -4.9432000000e-03 -4.5056000000e-03  1.1100000000e-03  2.9744000000e-03  1.5804000000e-03 -3.4050000000e-03  1.4142000000e-03
-
-JOB 40
-COORDS  1.5242700000e-01  1.5959200000e-01 -1.6644910000e+00  7.8454000000e-01  8.7335100000e-01 -1.5795640000e+00  3.1702200000e-01 -3.9845400000e-01 -9.0440900000e-01 -1.7119700000e-01 -2.0206700000e-01  1.5720630000e+00 -3.1394500000e-01 -4.3369400000e-01  2.4897800000e+00 -4.8479100000e-01  6.9947100000e-01  1.5005160000e+00
-ENERGY -1.526586151193e+02
-FORCES  3.3942000000e-03 -1.2283000000e-03  5.0932000000e-03 -2.8684000000e-03 -1.9380000000e-03 -2.5740000000e-04 -8.6700000000e-05  2.9507000000e-03 -6.6798000000e-03 -3.0665000000e-03  2.4847000000e-03  4.6312000000e-03  2.9850000000e-04  1.6838000000e-03 -3.7419000000e-03  2.3289000000e-03 -3.9530000000e-03  9.5470000000e-04
-
-JOB 41
-COORDS -9.7577100000e-01  1.0197060000e+00 -7.4535700000e-01 -1.9084510000e+00  8.8165900000e-01 -9.1053200000e-01 -6.0349000000e-01  1.2010880000e+00 -1.6083400000e+00  1.0401740000e+00 -1.0479150000e+00  7.5697100000e-01  1.2499140000e+00 -9.4100400000e-01  1.6847700000e+00  1.8131700000e-01 -6.3749100000e-01  6.5624000000e-01
-ENERGY -1.526590663463e+02
-FORCES -1.3124000000e-03  1.8285000000e-03 -6.4373000000e-03  4.3259000000e-03  1.4520000000e-04  1.0951000000e-03 -2.8378000000e-03 -2.2410000000e-04  3.4770000000e-03 -4.0730000000e-03  4.3420000000e-03  1.3703000000e-03 -9.5380000000e-04 -3.2270000000e-04 -3.2858000000e-03  4.8510000000e-03 -5.7688000000e-03  3.7808000000e-03
-
-JOB 42
-COORDS  1.0435400000e+00 -1.1563020000e+00  6.9935900000e-01  1.5972200000e-01 -1.3797280000e+00  4.0750700000e-01  9.9583100000e-01 -2.2576100000e-01  9.1856200000e-01 -9.6180000000e-01  1.0729600000e+00 -7.0278600000e-01 -1.8834090000e+00  1.2433490000e+00 -8.9730400000e-01 -6.4015700000e-01  1.8927500000e+00 -3.2765600000e-01
-ENERGY -1.526564633749e+02
-FORCES -6.2445000000e-03  4.9291000000e-03 -2.9087000000e-03  3.7751000000e-03 -2.1792000000e-03  2.4120000000e-03  2.2511000000e-03 -2.6819000000e-03  1.0934000000e-03 -2.9833000000e-03  5.2161000000e-03 -7.8570000000e-04  4.1753000000e-03 -9.3390000000e-04  9.3810000000e-04 -9.7380000000e-04 -4.3502000000e-03 -7.4900000000e-04
-
-JOB 43
-COORDS  5.9112800000e-01  1.2844140000e+00 -9.2047300000e-01  9.9049000000e-02  1.6493440000e+00 -1.6559430000e+00  1.0344200000e-01  4.9933500000e-01 -6.7138500000e-01 -4.7608400000e-01 -1.2327440000e+00  9.5360600000e-01 -7.5720300000e-01 -1.8035950000e+00  2.3853000000e-01 -1.2440820000e+00 -1.1623450000e+00  1.5205760000e+00
-ENERGY -1.526573476686e+02
-FORCES -3.7675000000e-03 -3.1978000000e-03  9.6800000000e-04  1.4688000000e-03 -1.8727000000e-03  2.9507000000e-03  2.0815000000e-03  5.1575000000e-03 -6.3708000000e-03 -4.6244000000e-03 -4.1528000000e-03  3.3394000000e-03  1.4520000000e-03  4.9070000000e-03  2.0726000000e-03  3.3896000000e-03 -8.4120000000e-04 -2.9599000000e-03
-
-JOB 44
-COORDS -7.0272900000e-01  1.4210910000e+00  3.6534800000e-01  9.3941000000e-02  1.9384070000e+00  2.4730200000e-01 -1.1882860000e+00  1.8810540000e+00  1.0501100000e+00  6.8149500000e-01 -1.5321220000e+00 -3.6683200000e-01  1.1129100000e+00 -7.2604200000e-01 -8.3374000000e-02  3.4167100000e-01 -1.3287850000e+00 -1.2382710000e+00
-ENERGY -1.526542118274e+02
-FORCES -6.1020000000e-04  4.3187000000e-03  3.4842000000e-03 -2.4737000000e-03 -3.9743000000e-03  7.7500000000e-05  2.2054000000e-03 -1.7002000000e-03 -3.1768000000e-03 -2.7074000000e-03  6.6615000000e-03 -1.2235000000e-03  1.2719000000e-03 -3.5074000000e-03 -1.6629000000e-03  2.3140000000e-03 -1.7982000000e-03  2.5015000000e-03
-
-JOB 45
-COORDS -1.4357040000e+00 -4.3988200000e-01  8.0503700000e-01 -4.8850200000e-01 -4.8494700000e-01  9.3546200000e-01 -1.8067680000e+00 -7.2740600000e-01  1.6392270000e+00  1.3997650000e+00  5.0261500000e-01 -8.0696200000e-01  6.7334500000e-01  2.3113000000e-02 -1.2052380000e+00  2.1649410000e+00  2.5270200000e-01 -1.3249200000e+00
-ENERGY -1.526575034302e+02
-FORCES  2.6413000000e-03 -2.9870000000e-04  5.0820000000e-03 -6.0527000000e-03 -1.5583000000e-03 -1.5379000000e-03  1.6239000000e-03  1.1169000000e-03 -3.1157000000e-03  4.9530000000e-04 -1.6741000000e-03 -5.8113000000e-03  4.6384000000e-03  1.3089000000e-03  3.3754000000e-03 -3.3461000000e-03  1.1053000000e-03  2.0076000000e-03
-
-JOB 46
-COORDS  3.2528700000e-01 -1.7180470000e+00 -4.7514000000e-02  2.2990500000e-01 -7.6605600000e-01 -1.8413000000e-02  9.8756300000e-01 -1.8724000000e+00 -7.2115900000e-01 -2.9556700000e-01  1.6597470000e+00  1.0802700000e-01 -6.3305900000e-01  1.4521420000e+00 -7.6331100000e-01 -1.0164990000e+00  2.1157520000e+00  5.4225000000e-01
-ENERGY -1.526581309443e+02
-FORCES  2.7090000000e-03  4.8738000000e-03 -5.0210000000e-04  1.2830000000e-04 -7.6029000000e-03 -3.2648000000e-03 -2.8469000000e-03  8.1620000000e-04  2.1439000000e-03 -5.8548000000e-03  4.5099000000e-03 -4.6670000000e-04  2.6507000000e-03 -1.1488000000e-03  4.6698000000e-03  3.2137000000e-03 -1.4482000000e-03 -2.5801000000e-03
-
-JOB 47
-COORDS -9.3444600000e-01 -2.6998100000e-01  1.3722290000e+00 -1.6517660000e+00 -2.3173500000e-01  2.0048600000e+00 -3.7419500000e-01  4.7210800000e-01  1.5995040000e+00  9.9636700000e-01  2.2810800000e-01 -1.3877070000e+00  1.1421400000e-01  3.7555200000e-01 -1.0466800000e+00  8.6804500000e-01  6.2711000000e-02 -2.3217350000e+00
-ENERGY -1.526567841323e+02
-FORCES -3.8710000000e-04  2.0753000000e-03  5.8154000000e-03  3.2877000000e-03 -1.7930000000e-04 -2.5453000000e-03 -3.6393000000e-03 -2.8134000000e-03 -2.2564000000e-03 -5.2197000000e-03 -1.7111000000e-03 -1.6662000000e-03  5.4870000000e-03  1.9406000000e-03 -2.8187000000e-03  4.7140000000e-04  6.8800000000e-04  3.4711000000e-03
-
-JOB 48
-COORDS  8.4166300000e-01 -1.4605510000e+00 -1.6463500000e-01  1.3059030000e+00 -1.6553710000e+00 -9.7873400000e-01  1.5267310000e+00 -1.1751470000e+00  4.3989700000e-01 -8.5662300000e-01  1.5073630000e+00  1.5723500000e-01 -7.3905300000e-01  5.6134600000e-01  7.0865000000e-02 -1.7254800000e+00  1.6066760000e+00  5.4641000000e-01
-ENERGY -1.526594111302e+02
-FORCES  6.7570000000e-03 -9.9360000000e-04 -1.4979000000e-03 -1.6864000000e-03  5.2290000000e-04  3.7977000000e-03 -3.3212000000e-03 -1.4715000000e-03 -2.8231000000e-03 -2.0324000000e-03 -5.1429000000e-03  3.9020000000e-04 -2.9537000000e-03  7.6274000000e-03  1.5125000000e-03  3.2367000000e-03 -5.4230000000e-04 -1.3794000000e-03
-
-JOB 49
-COORDS -3.8895700000e-01 -1.4142910000e+00 -1.0184310000e+00  1.2683400000e-01 -8.9221800000e-01 -4.0391400000e-01 -6.9522700000e-01 -7.8409700000e-01 -1.6705710000e+00  4.1162400000e-01  1.3388360000e+00  9.5877700000e-01 -5.1394800000e-01  1.5373370000e+00  1.1007120000e+00  7.9369200000e-01  1.3355530000e+00  1.8364130000e+00
-ENERGY -1.526588641066e+02
-FORCES  2.3730000000e-03  6.4126000000e-03  7.8870000000e-04 -3.0071000000e-03 -5.6824000000e-03 -3.8498000000e-03  2.7730000000e-04 -2.6315000000e-03  2.0885000000e-03 -2.0546000000e-03  3.0793000000e-03  5.8517000000e-03  4.3600000000e-03 -1.1561000000e-03 -9.9080000000e-04 -1.9486000000e-03 -2.1900000000e-05 -3.8883000000e-03
-
-JOB 50
-COORDS  6.9362700000e-01 -1.6366170000e+00  2.6229200000e-01  5.6190900000e-01 -7.4634600000e-01  5.8833000000e-01 -1.5774400000e-01 -2.0604010000e+00  3.7095000000e-01 -6.0339500000e-01  1.6579380000e+00 -2.5955300000e-01 -4.8248500000e-01  7.3044500000e-01 -4.6294500000e-01 -1.5178400000e+00  1.8348150000e+00 -4.8031800000e-01
-ENERGY -1.526544498739e+02
-FORCES -2.3261000000e-03  1.8640000000e-04  4.6306000000e-03 -1.5255000000e-03 -3.4899000000e-03 -5.4037000000e-03  3.5657000000e-03  2.6575000000e-03 -1.3605000000e-03 -3.9671000000e-03 -1.9787000000e-03 -3.9019000000e-03  2.5110000000e-04  3.4664000000e-03  5.0453000000e-03  4.0020000000e-03 -8.4170000000e-04  9.9010000000e-04
-
-JOB 51
-COORDS -1.6692700000e-01 -1.2417060000e+00 -1.2511240000e+00 -7.0282000000e-01 -5.6823000000e-01 -8.3221900000e-01 -7.3426400000e-01 -2.0118100000e+00 -1.2871720000e+00  1.7510100000e-01  1.2033020000e+00  1.2157810000e+00  1.0743700000e-01  2.1571470000e+00  1.2585970000e+00  1.0811090000e+00  1.0157280000e+00  1.4611340000e+00
-ENERGY -1.526574291800e+02
-FORCES -4.2745000000e-03  1.2307000000e-03  2.9358000000e-03  8.2250000000e-04 -4.8519000000e-03 -4.4586000000e-03  2.1525000000e-03  2.9278000000e-03  2.1710000000e-04  5.0432000000e-03  3.0153000000e-03  1.8025000000e-03  2.1130000000e-04 -4.0512000000e-03 -2.5640000000e-04 -3.9549000000e-03  1.7292000000e-03 -2.4030000000e-04
-
-JOB 52
-COORDS  1.0930940000e+00  1.3206840000e+00 -8.9488000000e-02  1.6667760000e+00  1.7463490000e+00  5.4763800000e-01  6.7611500000e-01  2.0439180000e+00 -5.5777600000e-01 -1.1538490000e+00 -1.3656220000e+00  9.8056000000e-02 -2.9129800000e-01 -1.0601040000e+00  3.7894100000e-01 -9.6903900000e-01 -2.0190730000e+00 -5.7653900000e-01
-ENERGY -1.526574609708e+02
-FORCES -1.5220000000e-04  6.2528000000e-03 -2.0910000000e-04 -2.5166000000e-03 -2.0421000000e-03 -2.6206000000e-03  2.7230000000e-03 -2.4593000000e-03  2.0436000000e-03  5.6976000000e-03  6.7000000000e-04 -1.6993000000e-03 -4.8277000000e-03 -4.6776000000e-03  6.1600000000e-05 -9.2410000000e-04  2.2563000000e-03  2.4238000000e-03
-
-JOB 53
-COORDS -2.9802000000e-01 -1.5817220000e+00  6.0083600000e-01 -3.2455100000e-01 -2.5380070000e+00  5.6850700000e-01 -9.8609200000e-01 -1.3434190000e+00  1.2221250000e+00  3.9242800000e-01  1.6558970000e+00 -6.4570600000e-01  3.0815800000e-01  7.7993300000e-01 -2.6911800000e-01 -5.0526200000e-01  1.9152000000e+00 -8.5342200000e-01
-ENERGY -1.526582158054e+02
-FORCES -2.3639000000e-03 -5.8932000000e-03  2.5599000000e-03 -5.6870000000e-04  3.9569000000e-03  8.5990000000e-04  3.0514000000e-03 -2.9680000000e-04 -3.3851000000e-03 -3.3819000000e-03 -4.8135000000e-03  5.0540000000e-04  1.6690000000e-04  7.6553000000e-03 -1.5805000000e-03  3.0963000000e-03 -6.0870000000e-04  1.0404000000e-03
-
-JOB 54
-COORDS  1.8535600000e-01  1.1986900000e-01  1.7546980000e+00  2.5407400000e-01 -7.8733200000e-01  1.4572160000e+00  9.3627700000e-01  2.3929800000e-01  2.3361500000e+00 -2.8740600000e-01 -7.1741000000e-02 -1.7473760000e+00 -5.0286000000e-02 -5.7319700000e-01 -2.5274710000e+00  5.4727100000e-01  2.4751000000e-01 -1.4044130000e+00
-ENERGY -1.526549804366e+02
-FORCES  1.5866000000e-03 -4.0704000000e-03  1.8849000000e-03  1.0436000000e-03  4.1358000000e-03  1.9297000000e-03 -2.9428000000e-03 -3.5400000000e-04 -3.0738000000e-03  4.1902000000e-03  1.0451000000e-03 -1.4673000000e-03 -9.2470000000e-04  1.8199000000e-03  3.6632000000e-03 -2.9529000000e-03 -2.5764000000e-03 -2.9367000000e-03
-
-JOB 55
-COORDS  1.4698570000e+00 -2.0267600000e-01  1.1159270000e+00  1.3931120000e+00  2.7114900000e-01  2.8777700000e-01  6.0545200000e-01 -1.2265100000e-01  1.5192020000e+00 -1.4165130000e+00  2.1343100000e-01 -1.0452040000e+00 -9.1565700000e-01  1.9943600000e-01 -1.8607900000e+00 -1.9599230000e+00 -5.7362200000e-01 -1.0837520000e+00
-ENERGY -1.526566322189e+02
-FORCES -6.2104000000e-03  2.8548000000e-03 -2.6560000000e-03  2.5978000000e-03 -1.7729000000e-03  2.5997000000e-03  4.3376000000e-03 -9.4720000000e-04  3.2500000000e-04 -1.5119000000e-03 -4.0467000000e-03 -4.4538000000e-03 -1.4061000000e-03  3.3630000000e-04  4.0275000000e-03  2.1932000000e-03  3.5757000000e-03  1.5760000000e-04
-
-JOB 56
-COORDS -7.6029100000e-01  1.8396600000e-01 -1.6334680000e+00 -2.7096800000e-01  1.0011620000e+00 -1.5386740000e+00 -1.1810900000e-01 -4.4307700000e-01 -1.9661110000e+00  7.7135000000e-01 -1.9467100000e-01  1.6382780000e+00  9.9970000000e-02 -4.6300000000e-01  1.0109970000e+00  2.7920600000e-01  1.2693500000e-01  2.3936560000e+00
-ENERGY -1.526578546248e+02
-FORCES  4.8515000000e-03  2.1265000000e-03 -3.5776000000e-03 -2.6409000000e-03 -3.8809000000e-03 -3.7130000000e-04 -3.0818000000e-03  2.4245000000e-03  2.3382000000e-03 -5.8023000000e-03 -7.0500000000e-05  3.8200000000e-05  4.6667000000e-03  4.9450000000e-04  4.4592000000e-03  2.0067000000e-03 -1.0940000000e-03 -2.8866000000e-03
-
-JOB 57
-COORDS -6.8642500000e-01  1.7342710000e+00 -1.1752200000e-01 -1.0810860000e+00  1.3278360000e+00  6.5402500000e-01 -9.4068400000e-01  1.1660470000e+00 -8.4464300000e-01  7.4937200000e-01 -1.6448730000e+00  6.1636000000e-02  6.3347700000e-01 -2.5911620000e+00  1.4729200000e-01  4.0012300000e-01 -1.2855230000e+00  8.7718800000e-01
-ENERGY -1.526542531593e+02
-FORCES -2.1109000000e-03 -4.5664000000e-03 -1.2262000000e-03  2.0975000000e-03  1.0929000000e-03 -2.3382000000e-03 -4.2500000000e-05  3.4938000000e-03  3.2478000000e-03 -4.0420000000e-04 -2.5199000000e-03  4.2766000000e-03  2.8610000000e-04  4.2683000000e-03 -4.6820000000e-04  1.7390000000e-04 -1.7688000000e-03 -3.4918000000e-03
-
-JOB 58
-COORDS -1.1279540000e+00 -4.1268500000e-01 -1.4787340000e+00 -2.7742200000e-01 -6.0280200000e-01 -1.8745650000e+00 -1.0169870000e+00  4.4709700000e-01 -1.0729100000e+00  1.1259680000e+00  4.1822400000e-01  1.4641530000e+00  7.5299700000e-01  1.8830100000e-01  2.3151880000e+00  6.4947000000e-01 -1.2697600000e-01  8.3810400000e-01
-ENERGY -1.526561694530e+02
-FORCES  2.4883000000e-03  3.9464000000e-03 -2.9881000000e-03 -3.6248000000e-03  4.7950000000e-04  3.1250000000e-03  4.6600000000e-05 -5.4164000000e-03 -7.4430000000e-04 -3.5170000000e-03 -4.2813000000e-03  1.9751000000e-03  1.6653000000e-03  1.1509000000e-03 -3.4528000000e-03  2.9416000000e-03  4.1210000000e-03  2.0850000000e-03
-
-JOB 59
-COORDS -2.8682300000e-01  1.6089610000e+00 -9.6812600000e-01 -5.3591100000e-01  1.5325730000e+00 -4.7066000000e-02 -8.7273500000e-01  2.2789070000e+00 -1.3204200000e+00  2.7382600000e-01 -1.6749920000e+00  9.6412000000e-01  8.7929900000e-01 -1.1301090000e+00  1.4668500000e+00  5.6279000000e-01 -1.5802780000e+00  5.6507000000e-02
-ENERGY -1.526560770332e+02
-FORCES -4.3710000000e-03  2.5530000000e-03  2.2166000000e-03  1.9006000000e-03  1.0909000000e-03 -3.9716000000e-03  2.3706000000e-03 -2.6481000000e-03  1.5719000000e-03  4.2387000000e-03  1.9483000000e-03 -2.8098000000e-03 -3.0873000000e-03 -1.6971000000e-03 -1.6601000000e-03 -1.0517000000e-03 -1.2470000000e-03  4.6530000000e-03
-
-JOB 60
-COORDS -9.9111300000e-01  1.5226860000e+00 -3.9859900000e-01 -1.0203700000e+00  1.5822930000e+00 -1.3534940000e+00 -9.0870100000e-01  2.4296680000e+00 -1.0394100000e-01  9.9895000000e-01 -1.6417210000e+00  4.0069800000e-01  1.6213610000e+00 -1.2549750000e+00  1.0165420000e+00  2.4934800000e-01 -1.0465640000e+00  4.1153000000e-01
-ENERGY -1.526575087416e+02
-FORCES -2.3740000000e-04  5.1466000000e-03 -3.4512000000e-03 -2.2900000000e-05  1.8800000000e-05  4.2524000000e-03 -3.1710000000e-04 -3.7366000000e-03 -1.3987000000e-03 -1.5226000000e-03  5.4644000000e-03  2.2208000000e-03 -1.8967000000e-03 -1.8117000000e-03 -2.1147000000e-03  3.9966000000e-03 -5.0816000000e-03  4.9140000000e-04
-
-JOB 61
-COORDS  9.2717100000e-01  1.5332960000e+00  7.3153800000e-01  1.7121520000e+00  9.9685200000e-01  8.4228600000e-01  1.1342320000e+00  2.1132160000e+00 -1.2990000000e-03 -9.8524600000e-01 -1.4755100000e+00 -7.3196500000e-01 -1.3837840000e+00 -2.3137610000e+00 -9.6591700000e-01 -5.5990900000e-01 -1.6386460000e+00  1.0988300000e-01
-ENERGY -1.526540395074e+02
-FORCES  3.5603000000e-03  6.2430000000e-04 -3.8800000000e-03 -3.4431000000e-03  1.6168000000e-03  3.8000000000e-06 -3.3330000000e-04 -1.8913000000e-03  3.4551000000e-03 -4.3400000000e-05 -3.2136000000e-03  3.3936000000e-03  1.6953000000e-03  3.5775000000e-03  8.5810000000e-04 -1.4357000000e-03 -7.1380000000e-04 -3.8306000000e-03
-
-JOB 62
-COORDS -1.4771700000e+00 -4.1546400000e-01 -1.3648200000e+00 -1.6811920000e+00 -1.3455150000e+00 -1.4628600000e+00 -5.7875200000e-01 -4.0033200000e-01 -1.0349000000e+00  1.3813520000e+00  4.4581800000e-01  1.3499070000e+00  1.8385470000e+00  7.8531800000e-01  5.8052800000e-01  1.9513230000e+00  6.6920100000e-01  2.0857500000e+00
-ENERGY -1.526549987880e+02
-FORCES  2.9746000000e-03 -3.7939000000e-03  2.5612000000e-03  6.4650000000e-04  3.6506000000e-03  3.7000000000e-05 -3.4065000000e-03  1.6800000000e-04 -3.4457000000e-03  4.6050000000e-03  3.1704000000e-03  1.4845000000e-03 -2.6481000000e-03 -2.3366000000e-03  2.5489000000e-03 -2.1716000000e-03 -8.5850000000e-04 -3.1859000000e-03
-
-JOB 63
-COORDS  1.9237610000e+00 -7.3442500000e-01  8.8920000000e-03  2.4198050000e+00 -3.2415700000e-01 -6.9952400000e-01  1.6629440000e+00 -5.9630000000e-03  5.7240800000e-01 -1.9520720000e+00  6.5248800000e-01 -5.8291000000e-02 -1.8997010000e+00  1.5731340000e+00  1.9842100000e-01 -1.7005020000e+00  1.6921100000e-01  7.2872000000e-01
-ENERGY -1.526536639994e+02
-FORCES  4.5750000000e-04  4.9399000000e-03 -1.7751000000e-03 -1.5404000000e-03 -1.7007000000e-03  3.1522000000e-03  9.5960000000e-04 -3.0887000000e-03 -1.4084000000e-03  6.1530000000e-04  8.2380000000e-04  4.0468000000e-03  4.1880000000e-04 -3.8275000000e-03 -1.0782000000e-03 -9.1090000000e-04  2.8532000000e-03 -2.9373000000e-03
-
-JOB 64
-COORDS -1.4365720000e+00 -6.5149000000e-02 -1.6399070000e+00 -9.0587200000e-01 -3.2697000000e-01 -8.8755200000e-01 -9.8990300000e-01  7.0454400000e-01 -1.9924550000e+00  1.4195350000e+00  1.9208000000e-02  1.6679470000e+00  1.4080730000e+00 -4.0940700000e-01  8.1214900000e-01  6.8700900000e-01  6.3462400000e-01  1.6379570000e+00
-ENERGY -1.526526753069e+02
-FORCES  3.2841000000e-03  1.9772000000e-03  8.2990000000e-04 -1.2330000000e-03  1.5734000000e-03 -2.7507000000e-03 -1.7370000000e-03 -3.4930000000e-03  2.0343000000e-03 -2.0790000000e-03  9.0230000000e-04 -2.4963000000e-03 -1.3389000000e-03  2.2605000000e-03  3.2147000000e-03  3.1037000000e-03 -3.2204000000e-03 -8.3190000000e-04
-
-JOB 65
-COORDS -6.5936100000e-01  1.3721960000e+00 -1.4645830000e+00 -1.3102800000e+00  2.0735330000e+00 -1.4388500000e+00 -1.1716010000e+00  5.6665800000e-01 -1.3942150000e+00  7.7077700000e-01 -1.3591620000e+00  1.4098730000e+00  3.7453000000e-02 -7.8535700000e-01  1.6317200000e+00  6.8878700000e-01 -2.0976100000e+00  2.0133660000e+00
-ENERGY -1.526538725055e+02
-FORCES -4.3215000000e-03 -7.5210000000e-04 -5.1450000000e-04  2.7364000000e-03 -2.9930000000e-03  1.9660000000e-04  1.6287000000e-03  3.8252000000e-03  2.1670000000e-04 -2.7669000000e-03 -2.3000000000e-06  3.6054000000e-03  2.4501000000e-03 -3.1475000000e-03 -8.8300000000e-04  2.7310000000e-04  3.0696000000e-03 -2.6213000000e-03
-
-JOB 66
-COORDS -1.8788360000e+00 -9.3494900000e-01  6.8262000000e-01 -2.4162120000e+00 -6.0832800000e-01 -3.9029000000e-02 -1.6990990000e+00 -1.6151800000e-01  1.2171570000e+00  1.8507810000e+00  8.9919200000e-01 -7.1272700000e-01  2.7399100000e+00  1.2242930000e+00 -5.7134100000e-01  1.7797790000e+00  1.3690600000e-01 -1.3817400000e-01
-ENERGY -1.526552922635e+02
-FORCES -1.8896000000e-03  4.9603000000e-03 -1.3499000000e-03  1.8328000000e-03 -1.5646000000e-03  3.2001000000e-03 -4.9650000000e-04 -3.5567000000e-03 -1.8376000000e-03  3.3588000000e-03 -2.4805000000e-03  2.6284000000e-03 -3.6600000000e-03 -1.2768000000e-03 -4.9670000000e-04  8.5460000000e-04  3.9184000000e-03 -2.1444000000e-03
-
-JOB 67
-COORDS  2.0118720000e+00 -7.3271100000e-01  7.2280900000e-01  1.2610050000e+00 -1.1194180000e+00  1.1732400000e+00  1.8677320000e+00  2.1164000000e-01  7.8328900000e-01 -2.0229640000e+00  7.3684900000e-01 -7.3369800000e-01 -1.5908910000e+00  5.9510000000e-02 -2.1335400000e-01 -1.4787970000e+00  8.2168700000e-01 -1.5165870000e+00
-ENERGY -1.526541743213e+02
-FORCES -2.3890000000e-03  2.3631000000e-03  3.1843000000e-03  2.4176000000e-03  1.8216000000e-03 -2.7124000000e-03  1.8280000000e-04 -4.3837000000e-03 -7.2930000000e-04  3.7058000000e-03 -2.8261000000e-03 -2.0092000000e-03 -1.5343000000e-03  3.0570000000e-03 -1.2467000000e-03 -2.3830000000e-03 -3.1900000000e-05  3.5132000000e-03
-
-JOB 68
-COORDS  1.2304520000e+00  1.2538800000e+00 -1.4667260000e+00  3.9745900000e-01  1.5695680000e+00 -1.8170070000e+00  1.1395620000e+00  1.3394110000e+00 -5.1769700000e-01 -1.1758820000e+00 -1.2851870000e+00  1.5007060000e+00 -5.3811800000e-01 -1.6419310000e+00  8.8246400000e-01 -1.7990410000e+00 -8.0711800000e-01  9.5357300000e-01
-ENERGY -1.526547733419e+02
-FORCES -3.1354000000e-03  2.6809000000e-03  2.4964000000e-03  3.2025000000e-03 -1.7681000000e-03  1.5465000000e-03  1.5270000000e-04 -7.9300000000e-04 -4.4578000000e-03 -2.0950000000e-04 -6.2900000000e-04 -4.8815000000e-03 -2.7908000000e-03  1.8966000000e-03  2.9796000000e-03  2.7806000000e-03 -1.3874000000e-03  2.3168000000e-03
-
-JOB 69
-COORDS -1.6939380000e+00  7.8735100000e-01  1.3625560000e+00 -2.0380980000e+00 -2.0645000000e-02  9.8186100000e-01 -1.0997250000e+00  4.9326400000e-01  2.0529590000e+00  1.6783410000e+00 -7.8219600000e-01 -1.3648980000e+00  1.8867590000e+00  3.0700000000e-04 -8.5452300000e-01  1.4409700000e+00 -4.4829200000e-01 -2.2299960000e+00
-ENERGY -1.526550781904e+02
-FORCES  8.9620000000e-04 -5.1333000000e-03  1.1658000000e-03  1.0182000000e-03  3.5826000000e-03  1.7447000000e-03 -2.2538000000e-03  1.5550000000e-03 -2.7404000000e-03 -2.7110000000e-04  5.0986000000e-03 -1.6037000000e-03 -4.5120000000e-04 -3.5438000000e-03 -1.9637000000e-03  1.0617000000e-03 -1.5591000000e-03  3.3973000000e-03
-
-JOB 70
-COORDS -1.4993650000e+00 -1.7079390000e+00 -5.6007300000e-01 -1.5361270000e+00 -1.4139910000e+00  3.5013400000e-01 -1.7235640000e+00 -9.3108600000e-01 -1.0723870000e+00  1.4686020000e+00  1.6009640000e+00  5.4866400000e-01  1.5162120000e+00  2.2248130000e+00 -1.7575200000e-01  2.1721090000e+00  1.8667070000e+00  1.1408560000e+00
-ENERGY -1.526546308519e+02
-FORCES  5.6600000000e-05  5.1223000000e-03  2.0880000000e-03 -6.9190000000e-04 -1.8097000000e-03 -3.6006000000e-03  3.4660000000e-04 -3.2921000000e-03  1.5540000000e-03  3.7520000000e-03  3.4744000000e-03 -6.2820000000e-04 -4.8670000000e-04 -2.5037000000e-03  3.0049000000e-03 -2.9766000000e-03 -9.9120000000e-04 -2.4181000000e-03
-
-JOB 71
-COORDS -1.7525140000e+00  1.1360340000e+00 -1.0133870000e+00 -1.5089150000e+00  1.6488310000e+00 -2.4271900000e-01 -2.5574680000e+00  1.5460670000e+00 -1.3298580000e+00  1.7552970000e+00 -1.1308120000e+00  9.7846700000e-01  2.2008640000e+00 -1.4646130000e+00  1.7571060000e+00  1.8073650000e+00 -1.8476920000e+00  3.4632500000e-01
-ENERGY -1.526541954705e+02
-FORCES -1.6185000000e-03  3.6421000000e-03  2.4277000000e-03 -1.6755000000e-03 -1.6052000000e-03 -3.4342000000e-03  3.2303000000e-03 -1.7396000000e-03  1.2155000000e-03  1.6825000000e-03 -4.5256000000e-03 -3.3800000000e-05 -1.8486000000e-03  1.4928000000e-03 -3.0862000000e-03  2.2980000000e-04  2.7353000000e-03  2.9110000000e-03
-
-JOB 72
-COORDS  4.6557200000e-01 -1.8384760000e+00 -1.4235020000e+00  1.3731990000e+00 -1.5384510000e+00 -1.3742090000e+00  4.9412000000e-01 -2.7421390000e+00 -1.1091630000e+00 -4.7374400000e-01  1.9231850000e+00  1.3887500000e+00 -1.0737740000e+00  1.5896590000e+00  7.2169900000e-01 -7.6031400000e-01  1.5043270000e+00  2.2003330000e+00
-ENERGY -1.526549644430e+02
-FORCES  4.3087000000e-03 -2.3395000000e-03  1.4159000000e-03 -3.7906000000e-03 -1.5696000000e-03 -3.8170000000e-04 -2.3360000000e-04  3.6874000000e-03 -1.2020000000e-03 -3.7215000000e-03 -3.5789000000e-03  4.0400000000e-05  2.2260000000e-03  2.0094000000e-03  3.1511000000e-03  1.2110000000e-03  1.7912000000e-03 -3.0236000000e-03
-
-JOB 73
-COORDS -6.2216600000e-01 -2.3334980000e+00  1.2685300000e-01  1.0803300000e-01 -1.7271920000e+00  2.6240000000e-03 -2.1504200000e-01 -3.1356660000e+00  4.5397500000e-01  5.8923700000e-01  2.3022530000e+00 -1.2189900000e-01  4.9219200000e-01  2.5982020000e+00 -1.0270110000e+00  7.1913000000e-02  2.9235680000e+00  3.9052100000e-01
-ENERGY -1.526551743805e+02
-FORCES  4.8163000000e-03  1.4700000000e-05  9.4440000000e-04 -3.0452000000e-03 -3.6120000000e-03  2.8810000000e-04 -1.6620000000e-03  3.0995000000e-03 -1.3054000000e-03 -2.9602000000e-03  4.1478000000e-03 -1.4548000000e-03  5.5180000000e-04 -1.2913000000e-03  3.7198000000e-03  2.2993000000e-03 -2.3586000000e-03 -2.1920000000e-03
-
-JOB 74
-COORDS  2.0553100000e+00  1.3725650000e+00  8.9202000000e-02  1.8795890000e+00  7.2829700000e-01 -5.9656200000e-01  1.9580180000e+00  8.8501200000e-01  9.0716100000e-01 -2.0276450000e+00 -1.2799300000e+00 -2.5220000000e-02 -1.3666440000e+00 -1.4959990000e+00 -6.8296300000e-01 -2.8633390000e+00 -1.4489450000e+00 -4.6028400000e-01
-ENERGY -1.526538861001e+02
-FORCES -1.6690000000e-03 -4.5008000000e-03  1.0233000000e-03  7.6350000000e-04  2.3656000000e-03  2.4298000000e-03  9.0010000000e-04  1.9728000000e-03 -3.5247000000e-03 -1.4608000000e-03 -1.4575000000e-03 -4.5867000000e-03 -2.0615000000e-03  1.0214000000e-03  2.8746000000e-03  3.5278000000e-03  5.9850000000e-04  1.7837000000e-03
-
-JOB 75
-COORDS -2.4656780000e+00  5.4780600000e-01 -1.6383200000e-01 -1.5282630000e+00  3.5694400000e-01 -1.3132200000e-01 -2.7377640000e+00  2.6625700000e-01 -1.0372910000e+00  2.4649780000e+00 -5.3275700000e-01  2.6903200000e-01  2.6379190000e+00  9.0741000000e-02 -4.3635700000e-01  1.6730670000e+00 -9.9405900000e-01 -7.2110000000e-03
-ENERGY -1.526532511485e+02
-FORCES  2.3569000000e-03 -1.6194000000e-03 -3.1484000000e-03 -3.6179000000e-03  3.0940000000e-04 -6.3210000000e-04  1.4179000000e-03  1.0980000000e-03  3.6559000000e-03 -1.5375000000e-03  3.3160000000e-04 -3.9268000000e-03 -1.1855000000e-03 -2.6889000000e-03  2.9888000000e-03  2.5661000000e-03  2.5694000000e-03  1.0626000000e-03
-
-JOB 76
-COORDS  1.5161600000e-01 -2.6616220000e+00 -2.4965500000e-01  3.7665500000e-01 -1.7581810000e+00 -2.7430000000e-02 -3.6416000000e-01 -2.9706180000e+00  4.9514600000e-01 -1.5176700000e-01  2.6257160000e+00  2.6417400000e-01  7.3259100000e-01  2.6621620000e+00 -1.0026400000e-01 -7.2753200000e-01  2.6518270000e+00 -5.0005400000e-01
-ENERGY -1.526548820749e+02
-FORCES -1.3283000000e-03  2.6234000000e-03  4.2920000000e-03 -6.4950000000e-04 -3.9727000000e-03 -1.3249000000e-03  2.0853000000e-03  1.0494000000e-03 -3.0833000000e-03  1.1009000000e-03  1.2176000000e-03 -4.7869000000e-03 -3.6887000000e-03 -5.9660000000e-04  1.6221000000e-03  2.4804000000e-03 -3.2110000000e-04  3.2811000000e-03
-
-JOB 77
-COORDS -9.5968000000e-01  2.1487710000e+00 -1.3589420000e+00 -1.9084140000e+00  2.0223070000e+00 -1.3708190000e+00 -6.3198100000e-01  1.4532680000e+00 -7.8874700000e-01  1.0143850000e+00 -2.0660830000e+00  1.2757730000e+00  1.4720180000e+00 -2.8145740000e+00  1.6586110000e+00  2.1065900000e-01 -1.9877200000e+00  1.7896950000e+00
-ENERGY -1.526544785600e+02
-FORCES -2.0103000000e-03 -3.6989000000e-03  2.1740000000e-03  3.7246000000e-03  5.5220000000e-04  1.3470000000e-04 -1.9550000000e-03  3.2839000000e-03 -2.2519000000e-03 -8.3770000000e-04 -3.2763000000e-03  3.8686000000e-03 -2.0115000000e-03  3.0629000000e-03 -1.4936000000e-03  3.0899000000e-03  7.6200000000e-05 -2.4317000000e-03
-
-JOB 78
-COORDS  9.7046000000e-01 -1.1710180000e+00  2.4798330000e+00  8.4402500000e-01 -6.3653900000e-01  1.6958820000e+00  9.9257800000e-01 -2.0713190000e+00  2.1554850000e+00 -9.2805200000e-01  1.2500490000e+00 -2.3974920000e+00 -1.1805480000e+00  5.4862700000e-01 -1.7970890000e+00 -1.2691130000e+00  9.7254000000e-01 -3.2477260000e+00
-ENERGY -1.526538756742e+02
-FORCES  2.7300000000e-05 -1.2907000000e-03 -4.3850000000e-03  9.3000000000e-05 -2.4915000000e-03  3.1347000000e-03 -2.8540000000e-04  3.7104000000e-03  1.2338000000e-03 -2.8504000000e-03 -3.7135000000e-03 -1.4477000000e-03  1.5599000000e-03  2.6982000000e-03 -2.1152000000e-03  1.4557000000e-03  1.0872000000e-03  3.5795000000e-03
-
-JOB 79
-COORDS  2.8271600000e+00  1.1302000000e-01  5.0251100000e-01  3.4634420000e+00  4.0639900000e-01 -1.4964400000e-01  2.3110970000e+00  8.9397300000e-01  7.0256900000e-01 -2.8066320000e+00 -1.2040200000e-01 -4.4648300000e-01 -2.6808000000e+00 -3.8445100000e-01 -1.3578980000e+00 -3.3925920000e+00 -7.8430000000e-01 -8.2998000000e-02
-ENERGY -1.526542966278e+02
-FORCES  3.6300000000e-05  4.4685000000e-03 -1.7280000000e-03 -2.5236000000e-03 -1.2527000000e-03  2.5768000000e-03  2.5514000000e-03 -3.1083000000e-03 -8.1190000000e-04 -1.6800000000e-03 -4.1196000000e-03 -2.1451000000e-03 -6.3720000000e-04  1.2332000000e-03  3.6333000000e-03  2.2531000000e-03  2.7790000000e-03 -1.5250000000e-03
-
-JOB 80
-COORDS  6.5046400000e-01 -2.2567510000e+00 -1.5763310000e+00  8.8602500000e-01 -1.9679540000e+00 -2.4579990000e+00  4.2082800000e-01 -3.1802380000e+00 -1.6796320000e+00 -6.7292000000e-01  2.3239050000e+00  1.6737200000e+00  2.1714200000e-01  2.2403410000e+00  1.3316110000e+00 -1.1936950000e+00  1.7273360000e+00  1.1360120000e+00
-ENERGY -1.526547938878e+02
-FORCES  1.4790000000e-04 -3.0551000000e-03 -4.0772000000e-03 -1.0264000000e-03 -1.0086000000e-03  3.7008000000e-03  9.3290000000e-04  3.8415000000e-03  3.4290000000e-04  1.6613000000e-03 -3.3544000000e-03 -3.6653000000e-03 -3.5405000000e-03  7.6280000000e-04  1.4454000000e-03  1.8248000000e-03  2.8137000000e-03  2.2534000000e-03
-
-JOB 81
-COORDS -2.7519930000e+00 -3.2950700000e-01  9.5254400000e-01 -3.1231590000e+00  5.1700600000e-01  7.0377800000e-01 -3.1762680000e+00 -5.4265500000e-01  1.7836820000e+00  2.8200020000e+00  3.0527300000e-01 -1.0423880000e+00  1.9453550000e+00 -3.7495000000e-02 -8.5871800000e-01  3.2066050000e+00  4.5156800000e-01 -1.7904200000e-01
-ENERGY -1.526547796245e+02
-FORCES -3.6970000000e-03  2.5193000000e-03  2.3686000000e-03  1.6625000000e-03 -3.4838000000e-03  1.0748000000e-03  1.8134000000e-03  9.2090000000e-04 -3.3890000000e-03 -2.3484000000e-03 -1.0027000000e-03  4.3264000000e-03  3.9544000000e-03  1.5437000000e-03 -9.0440000000e-04 -1.3848000000e-03 -4.9730000000e-04 -3.4764000000e-03
-
-JOB 82
-COORDS  2.2872600000e-01 -2.6048530000e+00  1.5787580000e+00 -4.7197100000e-01 -1.9576570000e+00  1.4988060000e+00  5.4182000000e-02 -3.2351130000e+00  8.7980200000e-01 -2.4528400000e-01  2.6247040000e+00 -1.5335650000e+00  4.2446000000e-02  1.7133460000e+00 -1.4800050000e+00  5.5364900000e-01  3.1180790000e+00 -1.7193580000e+00
-ENERGY -1.526542402496e+02
-FORCES -3.8463000000e-03 -2.0670000000e-04 -2.7668000000e-03  3.1166000000e-03 -2.5912000000e-03  5.1800000000e-05  8.2280000000e-04  2.7431000000e-03  2.7401000000e-03  4.7231000000e-03 -1.5028000000e-03 -5.4330000000e-04 -1.4923000000e-03  3.5670000000e-03 -1.8000000000e-04 -3.3238000000e-03 -2.0095000000e-03  6.9820000000e-04
-
-JOB 83
-COORDS -1.9439920000e+00  1.9910530000e+00  1.4110840000e+00 -2.7042930000e+00  1.4718130000e+00  1.6729310000e+00 -2.2637620000e+00  2.5410170000e+00  6.9587900000e-01  2.0033570000e+00 -1.9949600000e+00 -1.4468970000e+00  2.6414350000e+00 -1.5734200000e+00 -8.7123000000e-01  1.3504920000e+00 -2.3639870000e+00 -8.5207000000e-01
-ENERGY -1.526543632438e+02
-FORCES -4.4768000000e-03  3.1770000000e-04 -2.0087000000e-03  3.1743000000e-03  2.0083000000e-03 -1.0304000000e-03  1.2565000000e-03 -2.2431000000e-03  3.0197000000e-03 -1.9040000000e-04  5.5640000000e-04  4.9847000000e-03 -2.4214000000e-03 -1.8765000000e-03 -2.4385000000e-03  2.6579000000e-03  1.2372000000e-03 -2.5268000000e-03
-
-JOB 84
-COORDS  6.5233000000e-02  3.1355150000e+00  9.7674700000e-01  1.3247100000e-01  3.1174390000e+00  2.2082000000e-02 -8.7582700000e-01  3.1546840000e+00  1.1507290000e+00  3.0375000000e-02 -3.0889720000e+00 -9.1763900000e-01 -7.6735900000e-01 -3.3143550000e+00 -4.3904200000e-01  2.1442000000e-02 -3.6636040000e+00 -1.6831130000e+00
-ENERGY -1.526539768652e+02
-FORCES -3.4215000000e-03 -3.6970000000e-04 -3.3225000000e-03 -3.5290000000e-04  3.5330000000e-04  3.9074000000e-03  3.7538000000e-03  1.4800000000e-05 -6.3850000000e-04 -3.1751000000e-03 -3.3687000000e-03 -9.8720000000e-04  3.1865000000e-03  9.5440000000e-04 -2.0497000000e-03  9.1000000000e-06  2.4160000000e-03  3.0905000000e-03
-
-JOB 85
-COORDS  1.0295440000e+00 -1.1522040000e+00  3.0492970000e+00  5.1744700000e-01 -5.5691400000e-01  3.5966720000e+00  1.9236360000e+00 -1.0751580000e+00  3.3823070000e+00 -1.0368450000e+00  1.0578940000e+00 -3.1233880000e+00 -6.5962500000e-01  1.4807910000e+00 -2.3519640000e+00 -1.7070450000e+00  1.6693510000e+00 -3.4286500000e+00
-ENERGY -1.526539640501e+02
-FORCES  1.5899000000e-03  2.5247000000e-03  3.6631000000e-03  2.0884000000e-03 -2.3301000000e-03 -2.3194000000e-03 -3.6820000000e-03 -2.4310000000e-04 -1.3742000000e-03 -1.1221000000e-03  4.0173000000e-03  2.1075000000e-03 -1.5918000000e-03 -1.5082000000e-03 -3.2948000000e-03  2.7175000000e-03 -2.4607000000e-03  1.2178000000e-03
-
-JOB 86
-COORDS  1.0205600000e+00  1.5669830000e+00 -3.4100210000e+00  3.2050500000e-01  1.8474080000e+00 -3.9995260000e+00  1.8248600000e+00  1.8700610000e+00 -3.8313020000e+00 -1.0640200000e+00 -1.6570680000e+00  3.4767430000e+00 -1.3265620000e+00 -7.4139900000e-01  3.3826440000e+00 -1.0758900000e-01 -1.6370770000e+00  3.4439840000e+00
-ENERGY -1.526542178012e+02
-FORCES  3.8570000000e-04  2.3061000000e-03 -4.2381000000e-03  2.8741000000e-03 -1.1003000000e-03  2.4340000000e-03 -3.2692000000e-03 -1.2175000000e-03  1.7666000000e-03  2.8999000000e-03  3.8739000000e-03 -7.9980000000e-04  9.9560000000e-04 -3.7295000000e-03  5.4000000000e-04 -3.8862000000e-03 -1.3270000000e-04  2.9730000000e-04
-
-JOB 87
-COORDS -2.6081190000e+00 -2.0092430000e+00 -2.6606240000e+00 -2.6601860000e+00 -1.0542880000e+00 -2.6208550000e+00 -2.7224200000e+00 -2.2937880000e+00 -1.7538710000e+00  2.6188690000e+00  1.9764780000e+00  2.6752970000e+00  2.2086590000e+00  1.3307510000e+00  2.0999740000e+00  3.0132400000e+00  2.6129770000e+00  2.0789980000e+00
-ENERGY -1.526540290071e+02
-FORCES -8.8500000000e-04  2.6548000000e-03  3.8152000000e-03  3.4070000000e-04 -3.8812000000e-03 -1.2660000000e-04  5.7230000000e-04  1.2192000000e-03 -3.7023000000e-03  1.0720000000e-04 -4.0400000000e-05 -4.7721000000e-03  1.5409000000e-03  2.6478000000e-03  2.3521000000e-03 -1.6761000000e-03 -2.6002000000e-03  2.4336000000e-03
-
-JOB 88
-COORDS -3.1267980000e+00 -3.0547430000e+00 -1.8566640000e+00 -2.5770480000e+00 -2.4599010000e+00 -1.3465950000e+00 -3.5777100000e+00 -2.4877290000e+00 -2.4822870000e+00  3.0767900000e+00  3.0072630000e+00  1.8971980000e+00  3.9485210000e+00  3.3393600000e+00  1.6826570000e+00  3.0592220000e+00  2.1238530000e+00  1.5290800000e+00
-ENERGY -1.526540931242e+02
-FORCES  3.1180000000e-04  4.7707000000e-03 -4.3970000000e-04 -2.1681000000e-03 -2.4539000000e-03 -2.1015000000e-03  1.8686000000e-03 -2.3291000000e-03  2.5354000000e-03  3.5946000000e-03 -2.2174000000e-03 -2.3028000000e-03 -3.5842000000e-03 -1.3643000000e-03  8.5430000000e-04 -2.2700000000e-05  3.5940000000e-03  1.4542000000e-03
-
-JOB 89
-COORDS  3.8371630000e+00 -4.5361420000e+00 -3.9697100000e-01  4.6552830000e+00 -4.8551520000e+00 -1.5994000000e-02  3.8904600000e+00 -3.5837840000e+00 -3.1693400000e-01 -3.8466150000e+00  4.5116880000e+00  3.2371600000e-01 -3.6596810000e+00  4.1547430000e+00  1.1919770000e+00 -4.8017650000e+00  4.5609210000e+00  2.8502600000e-01
-ENERGY -1.526540913467e+02
-FORCES  3.5542000000e-03  2.6107000000e-03  1.8435000000e-03 -3.3395000000e-03  1.2914000000e-03 -1.5414000000e-03 -2.1210000000e-04 -3.9031000000e-03 -3.0070000000e-04 -3.1633000000e-03 -1.2786000000e-03  3.3674000000e-03 -7.4030000000e-04  1.4677000000e-03 -3.5347000000e-03  3.9009000000e-03 -1.8810000000e-04  1.6580000000e-04
-
-JOB 0
-COORDS -5.2300800000e-01 -1.0707060000e+00 -1.2271500000e-01  1.5199600000e-01 -3.9575400000e-01 -1.9371700000e-01 -1.8658400000e-01 -1.8019870000e+00 -6.4067000000e-01  5.2065400000e-01  1.0376090000e+00  1.6153000000e-01  2.3622700000e-01  1.5328910000e+00 -6.0660400000e-01 -1.6172700000e-01  1.1942450000e+00  8.1425800000e-01
-ENERGY -1.526497096547e+02
-FORCES  1.6432600000e-02  3.1412400000e-02  5.6567000000e-03 -5.9615000000e-03 -5.0596000000e-03 -2.1869000000e-03  3.1493000000e-03  6.7416000000e-03  2.5390000000e-04 -1.8485700000e-02 -2.7496700000e-02 -2.4884000000e-03  8.0240000000e-04 -5.3979000000e-03  3.4945000000e-03  4.0629000000e-03 -1.9970000000e-04 -4.7299000000e-03
-
-JOB 1
-COORDS  8.8200400000e-01  9.7125000000e-02  8.5958400000e-01  4.9760000000e-01  5.5778300000e-01  1.6054130000e+00  1.1319340000e+00 -7.5834600000e-01  1.2087770000e+00 -9.0147400000e-01 -5.6433000000e-02 -9.8212200000e-01 -9.9802000000e-02  2.5825000000e-01 -5.6435500000e-01 -1.2571520000e+00 -6.9743700000e-01 -3.6662300000e-01
-ENERGY -1.526543582850e+02
-FORCES -1.0655800000e-02 -3.1392000000e-03 -8.1731000000e-03  1.2011000000e-03 -3.6641000000e-03 -4.0235000000e-03 -2.7964000000e-03  4.4608000000e-03 -4.3570000000e-04  1.5490100000e-02 -1.0848000000e-03  1.8222400000e-02 -2.3208000000e-03  3.2798000000e-03 -4.3852000000e-03 -9.1820000000e-04  1.4750000000e-04 -1.2049000000e-03
-
-JOB 2
-COORDS  9.3361900000e-01  2.2884300000e-01  9.2192900000e-01  5.3920900000e-01  1.7692900000e-01  1.7925480000e+00  1.9644700000e-01  1.3536700000e-01  3.1854600000e-01 -8.4360500000e-01 -2.6618200000e-01 -8.9527600000e-01 -7.7686800000e-01 -2.6940700000e-01 -1.8501410000e+00 -1.3192760000e+00  5.3886700000e-01 -6.9066600000e-01
-ENERGY -1.526543076880e+02
-FORCES -1.1449800000e-02 -6.7838000000e-03 -1.3373200000e-02 -1.3389000000e-03  3.8420000000e-04 -4.3275000000e-03 -2.2210000000e-03  7.7980000000e-03  7.0919000000e-03  9.8386000000e-03  2.5895000000e-03  3.0286000000e-03 -2.3501000000e-03  7.8090000000e-04  4.9022000000e-03  7.5212000000e-03 -4.7687000000e-03  2.6781000000e-03
-
-JOB 3
-COORDS -8.9393200000e-01 -8.2504100000e-01  2.8359100000e-01 -3.7730800000e-01 -1.6228120000e+00  1.7004700000e-01 -1.3936710000e+00 -9.7493600000e-01  1.0861030000e+00  9.2757000000e-01  8.6838300000e-01 -3.8226500000e-01  9.8593600000e-01  1.6994440000e+00  8.9076000000e-02  2.5992300000e-01  3.7098600000e-01  9.0045000000e-02
-ENERGY -1.526577805923e+02
-FORCES  7.8070000000e-03  3.7704000000e-03 -2.1587000000e-03 -2.9257000000e-03  5.3905000000e-03  2.0625000000e-03  3.5932000000e-03  8.3660000000e-04 -4.1135000000e-03 -1.4824600000e-02 -1.0677300000e-02  5.6141000000e-03 -2.3403000000e-03 -3.4790000000e-03  1.8210000000e-04  8.6904000000e-03  4.1587000000e-03 -1.5866000000e-03
-
-JOB 4
-COORDS -8.9114600000e-01  4.1366300000e-01 -9.6160000000e-01 -1.5346800000e-01  3.2521600000e-01 -3.5807700000e-01 -7.2234800000e-01 -2.3623100000e-01 -1.6437860000e+00  8.2108200000e-01 -3.5526300000e-01  9.1198500000e-01  6.1448600000e-01 -1.1542910000e+00  1.3968610000e+00  1.4213520000e+00  1.2374700000e-01  1.4833480000e+00
-ENERGY -1.526590278599e+02
-FORCES  1.1603100000e-02 -5.8568000000e-03  1.0043100000e-02 -3.6207000000e-03  3.7049000000e-03 -5.8307000000e-03 -4.4300000000e-04  1.0245000000e-03  2.4509000000e-03 -7.2347000000e-03  2.3350000000e-04 -3.2294000000e-03  3.1768000000e-03  3.9315000000e-03 -1.1100000000e-03 -3.4816000000e-03 -3.0375000000e-03 -2.3238000000e-03
-
-JOB 5
-COORDS -8.3780800000e-01  3.9423900000e-01  1.0055320000e+00 -5.2512500000e-01  5.1599900000e-01  1.9019890000e+00 -5.5483000000e-02  4.9329500000e-01  4.6295600000e-01  8.2042100000e-01 -3.7146400000e-01 -9.8226300000e-01  3.4892000000e-02 -8.5236600000e-01 -7.2167000000e-01  8.5980300000e-01 -4.7341300000e-01 -1.9332030000e+00
-ENERGY -1.526596271857e+02
-FORCES  7.6834000000e-03  1.6568000000e-03 -3.5956000000e-03  1.5390000000e-04 -2.0030000000e-04 -3.8112000000e-03 -6.8791000000e-03 -6.2370000000e-03  3.4977000000e-03 -5.0206000000e-03 -7.9810000000e-04 -1.9800000000e-05  5.4140000000e-03  6.7888000000e-03 -3.5150000000e-04 -1.3516000000e-03 -1.2102000000e-03  4.2805000000e-03
-
-JOB 6
-COORDS  8.1987500000e-01 -1.4073700000e-01  9.9612100000e-01  1.6465090000e+00  3.0820600000e-01  1.1732030000e+00  4.1166900000e-01 -2.4004400000e-01  1.8562010000e+00 -8.4324200000e-01  8.1683000000e-02 -1.1147890000e+00 -1.3340810000e+00  8.8889500000e-01 -9.6078700000e-01 -3.8165300000e-01 -7.9227000000e-02 -2.9182100000e-01
-ENERGY -1.526589729846e+02
-FORCES -2.3070000000e-04  2.9296000000e-03 -4.4379000000e-03 -4.1901000000e-03 -2.5272000000e-03  1.6893000000e-03  1.4852000000e-03  1.6183000000e-03 -5.2310000000e-03  9.1473000000e-03  1.1395000000e-03  1.1738000000e-02  1.6851000000e-03 -2.2080000000e-03  4.4450000000e-04 -7.8967000000e-03 -9.5220000000e-04 -4.2029000000e-03
-
-JOB 7
-COORDS -6.7407200000e-01 -9.9178800000e-01 -7.8264900000e-01 -4.3331000000e-01 -1.2036600000e+00  1.1922500000e-01 -2.6432800000e-01 -1.4252100000e-01 -9.4723000000e-01  6.0776400000e-01  8.9307100000e-01  7.4143800000e-01  7.1115500000e-01  1.5524630000e+00  1.4275470000e+00  9.7890300000e-01  1.3007130000e+00 -4.1068000000e-02
-ENERGY -1.526537200395e+02
-FORCES  5.2278000000e-03  8.4004000000e-03  1.0866700000e-02 -2.1896000000e-03 -3.8210000000e-03 -2.8805000000e-03  2.3097000000e-03  1.3280000000e-03 -4.0380000000e-03 -1.9780000000e-04  1.7709000000e-03 -2.3130000000e-03 -4.3350000000e-04 -3.4836000000e-03 -3.3688000000e-03 -4.7166000000e-03 -4.1946000000e-03  1.7337000000e-03
-
-JOB 8
-COORDS  7.6871500000e-01  8.0381700000e-01 -8.9756900000e-01  2.1148200000e-01  5.4537300000e-01 -1.6345100000e-01  1.4357620000e+00  1.1897700000e-01 -9.4525700000e-01 -7.7231400000e-01 -7.9064200000e-01  8.0198400000e-01 -1.6797000000e-01 -6.6710900000e-01  1.5339260000e+00 -1.4451370000e+00 -1.2210700000e-01  9.3084000000e-01
-ENERGY -1.526551834814e+02
-FORCES -6.1153000000e-03 -1.2710500000e-02  6.6991000000e-03  2.1883000000e-03  8.3204000000e-03  9.7190000000e-04 -6.7310000000e-04  2.8698000000e-03  2.6310000000e-04 -9.2430000000e-04  1.3163000000e-03  1.6959000000e-03 -1.5488000000e-03  1.8027000000e-03 -7.1299000000e-03  7.0732000000e-03 -1.5986000000e-03 -2.5000000000e-03
-
-JOB 9
-COORDS  1.9863300000e-01  6.1487000000e-01 -1.1835990000e+00 -5.9987700000e-01  2.4667300000e-01 -1.5618120000e+00  8.6344900000e-01  4.9324800000e-01 -1.8614330000e+00 -1.5375800000e-01 -6.0866700000e-01  1.2907910000e+00 -1.1088890000e+00 -5.4977400000e-01  1.2687050000e+00  1.2627100000e-01 -2.8938900000e-01  4.3295800000e-01
-ENERGY -1.526590925925e+02
-FORCES -2.9270000000e-04 -1.9481000000e-03 -2.0065000000e-03  4.4568000000e-03  7.9860000000e-04  4.0358000000e-03 -4.1590000000e-03  3.3280000000e-04  3.1775000000e-03  6.9330000000e-04  7.3040000000e-03 -1.1197800000e-02  2.5516000000e-03 -4.0890000000e-04 -1.1740000000e-03 -3.2500000000e-03 -6.0783000000e-03  7.1650000000e-03
-
-JOB 10
-COORDS  1.6085000000e-01 -5.7509600000e-01 -1.2673600000e+00  4.5389100000e-01 -1.4746310000e+00 -1.1217700000e+00  9.6661300000e-01 -5.8454000000e-02 -1.2749100000e+00 -1.6337600000e-01  5.8129800000e-01  1.2870290000e+00 -5.5866700000e-01  2.0131800000e-01  5.0243300000e-01 -7.8687900000e-01  1.2501780000e+00  1.5700040000e+00
-ENERGY -1.526609303823e+02
-FORCES  6.7757000000e-03 -6.2000000000e-05  2.3664000000e-03 -1.4187000000e-03  4.3455000000e-03 -3.6420000000e-04 -4.0577000000e-03 -3.0627000000e-03 -1.0039000000e-03 -2.6180000000e-03 -2.9121000000e-03 -7.4640000000e-03 -5.3750000000e-04  4.2776000000e-03  9.0867000000e-03  1.8563000000e-03 -2.5863000000e-03 -2.6210000000e-03
-
-JOB 11
-COORDS -8.4375600000e-01  8.1030400000e-01 -6.7739400000e-01 -1.2693580000e+00  1.6412330000e+00 -4.6608700000e-01 -8.6596800000e-01  7.6555600000e-01 -1.6332900000e+00  9.0416000000e-01 -8.6456900000e-01  7.7860500000e-01  3.8555500000e-01 -9.9645000000e-02  5.2926300000e-01  8.4439600000e-01 -1.4511860000e+00  2.4588000000e-02
-ENERGY -1.526595276073e+02
-FORCES  5.9870000000e-04  1.7070000000e-04 -2.1058000000e-03  2.3735000000e-03 -4.0384000000e-03 -1.4472000000e-03 -6.8680000000e-04  6.0520000000e-04  4.4799000000e-03 -8.2512000000e-03  5.4237000000e-03 -8.6172000000e-03  4.8015000000e-03 -2.7987000000e-03  5.8429000000e-03  1.1643000000e-03  6.3740000000e-04  1.8473000000e-03
-
-JOB 12
-COORDS -1.0376820000e+00 -6.1122000000e-01  7.7430600000e-01 -6.1499800000e-01  9.4246000000e-02  2.8452200000e-01 -1.8168700000e+00 -2.0583500000e-01  1.1547800000e+00  1.0154650000e+00  5.5869000000e-01 -7.2101700000e-01  1.4373390000e+00 -2.4945100000e-01 -1.0128430000e+00  1.3594210000e+00  1.2337460000e+00 -1.3060170000e+00
-ENERGY -1.526609236497e+02
-FORCES  4.5298000000e-03  6.0462000000e-03 -3.8268000000e-03 -7.2473000000e-03 -4.4774000000e-03  4.9649000000e-03  3.0954000000e-03 -3.8800000000e-05 -1.9583000000e-03  1.7125000000e-03 -3.0788000000e-03 -1.7005000000e-03 -1.1046000000e-03  5.1107000000e-03  2.1000000000e-04 -9.8570000000e-04 -3.5619000000e-03  2.3106000000e-03
-
-JOB 13
-COORDS  6.5694400000e-01 -6.4909900000e-01  1.1576600000e+00 -1.5200900000e-01 -2.1186100000e-01  8.9186200000e-01  1.2437840000e+00 -5.4397700000e-01  4.0879500000e-01 -6.3817000000e-01  5.9554000000e-01 -1.0381210000e+00 -4.2828100000e-01  1.8591000000e-01 -1.8773960000e+00 -1.0257190000e+00  1.4387080000e+00 -1.2728630000e+00
-ENERGY -1.526584664281e+02
-FORCES -4.2694000000e-03  6.4298000000e-03 -1.0557100000e-02  1.1748000000e-03 -2.2963000000e-03  6.0373000000e-03  9.5680000000e-04 -2.3896000000e-03  2.2863000000e-03  4.2660000000e-04 -2.2220000000e-04 -2.6073000000e-03 -1.7660000000e-04  2.7358000000e-03  3.8389000000e-03  1.8877000000e-03 -4.2576000000e-03  1.0018000000e-03
-
-JOB 14
-COORDS -9.7058000000e-01 -5.6357300000e-01  9.2411100000e-01 -3.8825200000e-01 -4.4967800000e-01  1.7300900000e-01 -1.6452990000e+00 -1.1681680000e+00  6.1516100000e-01  9.4323900000e-01  5.6242700000e-01 -8.3465300000e-01  1.0286850000e+00  5.2933300000e-01 -1.7874570000e+00  1.5762720000e+00  1.2257310000e+00 -5.5982800000e-01
-ENERGY -1.526601887717e+02
-FORCES  5.1851000000e-03  2.4602000000e-03 -6.7343000000e-03 -7.0242000000e-03 -5.3596000000e-03  4.6043000000e-03  2.8580000000e-03  2.2274000000e-03 -3.8980000000e-04  1.4330000000e-03  3.1316000000e-03  1.3545000000e-03 -4.2810000000e-04  2.0020000000e-04  4.5056000000e-03 -2.0238000000e-03 -2.6597000000e-03 -3.3403000000e-03
-
-JOB 15
-COORDS  5.6356800000e-01  7.3777700000e-01 -1.0347860000e+00  1.0904840000e+00  9.7599800000e-01 -1.7975730000e+00  9.5811300000e-01  1.2224100000e+00 -3.0973700000e-01 -6.4944700000e-01 -7.2237300000e-01  1.0658040000e+00 -3.1385100000e-01 -7.8320600000e-01  1.7142900000e-01 -3.3285200000e-01 -1.5169600000e+00  1.4954910000e+00
-ENERGY -1.526601800117e+02
-FORCES  2.2652000000e-03  3.7769000000e-03  2.0642000000e-03 -1.7983000000e-03 -6.2390000000e-04  4.0215000000e-03 -3.4920000000e-04 -2.0756000000e-03 -5.1904000000e-03  2.8245000000e-03 -8.1140000000e-04 -6.3674000000e-03 -2.5902000000e-03 -3.3652000000e-03  7.6960000000e-03 -3.5200000000e-04  3.0991000000e-03 -2.2240000000e-03
-
-JOB 16
-COORDS -1.0163130000e+00  2.6220600000e-01 -9.7891300000e-01 -5.6965500000e-01  2.0043300000e-01 -1.8232540000e+00 -9.2735300000e-01  1.1813770000e+00 -7.2703400000e-01  9.5850200000e-01 -2.8167900000e-01  1.0544000000e+00  6.4607500000e-01 -9.4492000000e-01  4.3898700000e-01  1.8723300000e+00 -1.3771100000e-01  8.0859000000e-01
-ENERGY -1.526544805598e+02
-FORCES  4.4880000000e-03  5.8944000000e-03  2.4332000000e-03 -5.4760000000e-04 -9.5710000000e-04  4.3499000000e-03 -1.8247000000e-03 -2.9623000000e-03 -3.3626000000e-03 -3.0041000000e-03 -2.1313000000e-03 -7.0401000000e-03  4.9661000000e-03 -6.2600000000e-05  3.7101000000e-03 -4.0776000000e-03  2.1880000000e-04 -9.0500000000e-05
-
-JOB 17
-COORDS -8.6163000000e-01  1.0156730000e+00 -6.2233400000e-01 -6.4184700000e-01  4.9601700000e-01  1.5089600000e-01 -6.9543100000e-01  1.9206500000e+00 -3.5846300000e-01  8.1067200000e-01 -1.0814200000e+00  5.2488300000e-01  1.2586460000e+00 -2.6246000000e-01  3.1309000000e-01  8.8993100000e-01 -1.1594040000e+00  1.4756030000e+00
-ENERGY -1.526560841328e+02
-FORCES  4.7240000000e-04 -3.8156000000e-03  4.7472000000e-03  2.0990000000e-04  7.9583000000e-03 -2.6128000000e-03  1.1919000000e-03 -4.7085000000e-03 -2.9610000000e-04  5.2745000000e-03  1.1100000000e-03 -3.7850000000e-04 -5.1225000000e-03 -2.7315000000e-03  3.5227000000e-03 -2.0261000000e-03  2.1874000000e-03 -4.9826000000e-03
-
-JOB 18
-COORDS  1.1460930000e+00 -1.1883500000e-01  9.1144200000e-01  1.4974890000e+00 -9.5462500000e-01  1.2183750000e+00  5.1009700000e-01 -3.5886000000e-01  2.3755100000e-01 -1.0813840000e+00  1.7966100000e-01 -8.5107500000e-01 -1.7017860000e+00 -4.9687800000e-01 -1.1224210000e+00 -1.3573830000e+00  9.6309600000e-01 -1.3267720000e+00
-ENERGY -1.526595987431e+02
-FORCES -6.0631000000e-03 -8.4480000000e-04 -5.1070000000e-03 -2.4271000000e-03  2.2972000000e-03 -1.8640000000e-03  7.3211000000e-03 -3.4751000000e-03  5.6339000000e-03 -1.7680000000e-03  3.4597000000e-03 -1.3836000000e-03  3.4375000000e-03  2.9196000000e-03  1.3522000000e-03 -5.0040000000e-04 -4.3566000000e-03  1.3685000000e-03
-
-JOB 19
-COORDS  3.4591900000e-01  7.7649200000e-01 -1.2227970000e+00  1.7887800000e-01  5.0820000000e-02 -6.2135800000e-01  1.2141910000e+00  5.9503600000e-01 -1.5825290000e+00 -4.3638900000e-01 -6.8902400000e-01  1.1668570000e+00 -2.4050200000e-01 -1.6201600000e+00  1.2710030000e+00  1.8201900000e-01 -2.4714300000e-01  1.7487030000e+00
-ENERGY -1.526600516018e+02
-FORCES -1.4143000000e-03 -6.1734000000e-03  5.7607000000e-03  5.0868000000e-03  4.7579000000e-03 -8.4157000000e-03 -2.8754000000e-03 -1.6340000000e-04  2.4763000000e-03  1.5303000000e-03 -2.9470000000e-04  5.5974000000e-03  1.3180000000e-04  5.2019000000e-03 -1.6733000000e-03 -2.4592000000e-03 -3.3284000000e-03 -3.7453000000e-03
-
-JOB 20
-COORDS  1.2374920000e+00  5.8174900000e-01 -5.0455400000e-01  1.0273880000e+00  4.7908400000e-01 -1.4327500000e+00  8.2136300000e-01  1.4065790000e+00 -2.5410700000e-01 -1.2127510000e+00 -5.8465400000e-01  4.8788900000e-01 -1.8409640000e+00 -1.1752020000e+00  9.0362000000e-01 -4.2435300000e-01 -6.5547800000e-01  1.0260760000e+00
-ENERGY -1.526567109410e+02
-FORCES -7.1161000000e-03  1.3154000000e-03 -4.0711000000e-03  2.4545000000e-03  1.3617000000e-03  2.8859000000e-03  2.8207000000e-03 -3.0850000000e-03 -1.6020000000e-04  4.7989000000e-03 -1.6205000000e-03  2.4914000000e-03  3.4660000000e-03  2.3038000000e-03 -2.1040000000e-03 -6.4240000000e-03 -2.7540000000e-04  9.5800000000e-04
-
-JOB 21
-COORDS  1.3471500000e-01 -1.5017110000e+00  2.6974800000e-01  6.9300000000e-03 -5.9057600000e-01  5.3382500000e-01  2.4433300000e-01 -1.4630830000e+00 -6.8036900000e-01 -1.0274400000e-01  1.4129630000e+00 -2.8264400000e-01 -9.6777400000e-01  1.8221910000e+00 -3.0470000000e-01  2.0488900000e-01  1.5501930000e+00  6.1332600000e-01
-ENERGY -1.526571185719e+02
-FORCES -9.0890000000e-04  9.7929000000e-03 -6.6951000000e-03  1.5880000000e-03 -3.3058000000e-03  5.9885000000e-03 -1.2150000000e-04 -3.0352000000e-03  2.6886000000e-03 -2.3470000000e-03  3.9328000000e-03  1.8527000000e-03  4.4755000000e-03 -2.2517000000e-03  4.1050000000e-04 -2.6861000000e-03 -5.1330000000e-03 -4.2452000000e-03
-
-JOB 22
-COORDS  1.2320100000e+00  7.2523600000e-01  2.4972600000e-01  1.0836720000e+00  1.6707870000e+00  2.6241400000e-01  1.8771390000e+00  5.9282000000e-01 -4.4490200000e-01 -1.3304700000e+00 -8.0045100000e-01 -2.1043500000e-01 -7.2618200000e-01 -6.3513600000e-01 -9.3413300000e-01 -8.7681200000e-01 -4.6441500000e-01  5.6255000000e-01
-ENERGY -1.526581008090e+02
-FORCES  2.4348000000e-03  3.3123000000e-03 -2.4565000000e-03  4.7040000000e-04 -4.7265000000e-03 -1.8450000000e-04 -3.9134000000e-03  6.4800000000e-04  2.4159000000e-03  9.9483000000e-03  4.8868000000e-03  1.4203000000e-03 -3.3266000000e-03 -1.9818000000e-03 -9.2230000000e-04 -5.6135000000e-03 -2.1387000000e-03 -2.7290000000e-04
-
-JOB 23
-COORDS -1.2721730000e+00  3.1060600000e-01 -6.1936200000e-01 -2.2186410000e+00  2.5740900000e-01 -7.5203100000e-01 -9.0154300000e-01  2.2531400000e-01 -1.4977640000e+00  1.3370990000e+00 -3.3902500000e-01  7.1261800000e-01  1.4861110000e+00 -7.1064000000e-02 -1.9414800000e-01  5.1867100000e-01  9.2003000000e-02  9.5883200000e-01
-ENERGY -1.526568587535e+02
-FORCES -2.2538000000e-03 -1.8755000000e-03 -4.2403000000e-03  4.3116000000e-03  3.0800000000e-05  2.6830000000e-04 -7.1370000000e-04  9.5580000000e-04  4.0642000000e-03 -7.9768000000e-03  3.4274000000e-03 -4.2302000000e-03  6.0990000000e-04 -1.3022000000e-03  1.6220000000e-03  6.0229000000e-03 -1.2363000000e-03  2.5158000000e-03
-
-JOB 24
-COORDS  5.2265600000e-01 -6.3353900000e-01  1.2937700000e+00 -7.3880000000e-03 -5.7335000000e-01  2.0885420000e+00  4.3720000000e-02 -1.1637800000e-01  6.4616200000e-01 -4.5603000000e-01  5.6426600000e-01 -1.2456350000e+00  2.8000000000e-03  3.1628500000e-01 -2.0482630000e+00 -9.0451400000e-01  1.3801680000e+00 -1.4678930000e+00
-ENERGY -1.526610516914e+02
-FORCES -4.5765000000e-03  3.5407000000e-03 -4.6738000000e-03  1.2468000000e-03  4.7070000000e-04 -3.0827000000e-03  2.6788000000e-03 -3.5766000000e-03  9.2086000000e-03  1.5849000000e-03  9.8680000000e-04 -4.7803000000e-03 -3.0016000000e-03  2.3637000000e-03  2.6458000000e-03  2.0675000000e-03 -3.7852000000e-03  6.8240000000e-04
-
-JOB 25
-COORDS  1.1897460000e+00 -8.3854600000e-01  1.8611000000e-01  2.0188620000e+00 -1.3104860000e+00  2.6402600000e-01  5.2404000000e-01 -1.4806090000e+00  4.3273400000e-01 -1.2113800000e+00  9.6210700000e-01 -1.9746100000e-01 -3.4081700000e-01  5.8682500000e-01 -3.2980400000e-01 -1.7989380000e+00  2.0657100000e-01 -1.8425500000e-01
-ENERGY -1.526582487441e+02
-FORCES  2.6755000000e-03 -4.1732000000e-03  2.0852000000e-03 -4.2550000000e-03  1.0226000000e-03  3.8520000000e-04  2.0986000000e-03  3.8183000000e-03 -2.4692000000e-03  5.1044000000e-03 -4.7701000000e-03 -4.7270000000e-04 -8.1016000000e-03  2.3284000000e-03 -1.3670000000e-04  2.4781000000e-03  1.7741000000e-03  6.0830000000e-04
-
-JOB 26
-COORDS -1.1095560000e+00 -6.3069500000e-01 -6.9606500000e-01 -2.0076680000e+00 -6.5067900000e-01 -1.0265620000e+00 -6.9696800000e-01 -1.4067150000e+00 -1.0752700000e+00  1.1747730000e+00  7.2223900000e-01  7.6433700000e-01  1.4757220000e+00  1.1973000000e-02  1.9760600000e-01  2.2814800000e-01  5.9479400000e-01  8.2671200000e-01
-ENERGY -1.526577748002e+02
-FORCES -2.0706000000e-03 -2.9773000000e-03 -3.5877000000e-03  4.1557000000e-03 -2.3240000000e-04  1.3608000000e-03 -1.1603000000e-03  3.8047000000e-03  1.9071000000e-03 -6.9695000000e-03 -4.8085000000e-03 -5.1583000000e-03  1.0655000000e-03  1.3984000000e-03  1.8538000000e-03  4.9792000000e-03  2.8151000000e-03  3.6243000000e-03
-
-JOB 27
-COORDS  6.4308100000e-01 -1.3525460000e+00 -1.0262300000e-01  6.5306200000e-01 -1.4349890000e+00  8.5096700000e-01  1.5634620000e+00 -1.4133970000e+00 -3.5841300000e-01 -7.6584800000e-01  1.3428880000e+00  5.0853000000e-02 -4.6451000000e-01  2.2074230000e+00  3.3015000000e-01  3.6757000000e-02  8.3315900000e-01 -5.9754000000e-02
-ENERGY -1.526581566145e+02
-FORCES  2.3303000000e-03 -5.2401000000e-03  3.2755000000e-03  9.2460000000e-04  1.6574000000e-03 -5.0920000000e-03 -4.6528000000e-03  2.0601000000e-03  1.4967000000e-03  4.6642000000e-03 -2.8717000000e-03 -1.2429000000e-03 -2.2270000000e-04 -4.0684000000e-03 -8.5820000000e-04 -3.0436000000e-03  8.4627000000e-03  2.4210000000e-03
-
-JOB 28
-COORDS -2.6814000000e-02  5.1780100000e-01 -1.3899590000e+00 -1.6279800000e-01  3.8196200000e-01 -2.3276620000e+00  4.3429900000e-01  1.3546840000e+00 -1.3330860000e+00 -2.0321000000e-02 -6.1230000000e-01  1.4318630000e+00  5.9786200000e-01 -3.5188800000e-01  2.1147010000e+00 -7.3425000000e-02  1.4847700000e-01  8.5339000000e-01
-ENERGY -1.526560648020e+02
-FORCES  6.6050000000e-04  1.2050000000e-04 -5.8211000000e-03  1.2495000000e-03  1.4579000000e-03  3.6494000000e-03 -2.4560000000e-03 -4.2296000000e-03  2.0745000000e-03  1.2735000000e-03  3.6245000000e-03 -4.0325000000e-03 -2.0437000000e-03 -4.3490000000e-04 -3.2316000000e-03  1.3162000000e-03 -5.3850000000e-04  7.3613000000e-03
-
-JOB 29
-COORDS -5.8488400000e-01  3.4307900000e-01  1.3592410000e+00 -1.2192300000e+00 -3.7306800000e-01  1.3280810000e+00 -1.1067330000e+00  1.1323780000e+00  1.2146310000e+00  6.2157800000e-01 -3.5000300000e-01 -1.3912480000e+00  4.0351900000e-01 -4.5538000000e-02 -5.1034900000e-01  1.5467880000e+00 -5.8999400000e-01 -1.3400470000e+00
-ENERGY -1.526617255827e+02
-FORCES -6.8539000000e-03  4.9620000000e-04  2.2549000000e-03  3.5100000000e-03  3.9643000000e-03 -3.6680000000e-04  2.7222000000e-03 -4.2672000000e-03  1.5460000000e-04  1.1292000000e-03  1.6268000000e-03  7.6485000000e-03  2.6340000000e-03 -2.5934000000e-03 -9.8192000000e-03 -3.1416000000e-03  7.7340000000e-04  1.2790000000e-04
-
-JOB 30
-COORDS -3.5526500000e-01 -1.4754630000e+00  5.0802400000e-01 -2.5398400000e-01 -9.6714200000e-01  1.3127510000e+00 -1.3904200000e-01 -8.6063000000e-01 -1.9301800000e-01  3.5422000000e-01  1.3492980000e+00 -5.0049900000e-01  4.2097400000e-01  1.8099060000e+00 -1.3369300000e+00 -3.7820000000e-02  1.9882500000e+00  9.4712000000e-02
-ENERGY -1.526593268440e+02
-FORCES  3.0249000000e-03  9.0120000000e-03 -1.2337000000e-03 -1.1723000000e-03 -2.2755000000e-03 -1.1446000000e-03 -1.9826000000e-03 -7.3150000000e-03  1.6472000000e-03 -1.3403000000e-03  5.4628000000e-03 -6.3890000000e-04 -5.9540000000e-04 -1.9953000000e-03  3.9708000000e-03  2.0657000000e-03 -2.8889000000e-03 -2.6007000000e-03
-
-JOB 31
-COORDS -5.1511600000e-01  4.4195300000e-01 -1.4493040000e+00 -3.7580400000e-01  1.3088260000e+00 -1.0680470000e+00 -1.0304500000e-01 -1.6128200000e-01 -8.3080800000e-01  5.0052100000e-01 -4.0397300000e-01  1.3470780000e+00 -2.1258000000e-01 -4.2301900000e-01  1.9853230000e+00  9.3238800000e-01 -1.2526550000e+00  1.4443540000e+00
-ENERGY -1.526598548930e+02
-FORCES  4.2011000000e-03  4.0590000000e-04  9.0109000000e-03 -1.4911000000e-03 -1.6776000000e-03 -2.4975000000e-03 -2.2600000000e-03  2.1010000000e-04 -7.6413000000e-03 -1.5393000000e-03 -2.7515000000e-03  5.2777000000e-03  3.8241000000e-03 -1.0670000000e-04 -2.7006000000e-03 -2.7348000000e-03  3.9198000000e-03 -1.4492000000e-03
-
-JOB 32
-COORDS -7.6700400000e-01  3.6191800000e-01  1.2828350000e+00  9.8424000000e-02 -2.8999000000e-02  1.4030440000e+00 -1.3460620000e+00 -1.6223800000e-01  1.8361740000e+00  8.2237700000e-01 -3.1270000000e-01 -1.3045680000e+00  8.7114000000e-02 -5.1363700000e-01 -7.2556600000e-01  4.1400300000e-01 -6.8053000000e-02 -2.1349960000e+00
-ENERGY -1.526577972395e+02
-FORCES  2.0519000000e-03 -7.8490000000e-04  5.9233000000e-03 -6.0410000000e-03 -1.1470000000e-04 -2.8737000000e-03  2.8741000000e-03  2.0484000000e-03 -3.3179000000e-03 -7.0916000000e-03  2.4982000000e-03  1.2600000000e-05  6.6605000000e-03 -2.3377000000e-03 -2.4310000000e-03  1.5461000000e-03 -1.3093000000e-03  2.6866000000e-03
-
-JOB 33
-COORDS -1.1324750000e+00 -8.8410000000e-02 -1.0383880000e+00 -1.5080070000e+00 -4.9297500000e-01 -1.8203950000e+00 -1.9102900000e-01 -6.3628000000e-02 -1.2095540000e+00  1.0469620000e+00  1.2040800000e-01  1.1458590000e+00  1.2700640000e+00 -6.9577200000e-01  6.9830000000e-01  1.6300130000e+00  7.7346900000e-01  7.5882700000e-01
-ENERGY -1.526518595964e+02
-FORCES  3.0555000000e-03 -1.0100000000e-04 -2.0028000000e-03  2.0737000000e-03  1.4939000000e-03  4.0883000000e-03 -2.8772000000e-03 -1.3531000000e-03 -1.2414000000e-03  1.9637000000e-03 -1.1800000000e-03 -1.1920000000e-03 -8.5890000000e-04  4.4866000000e-03  6.9300000000e-05 -3.3567000000e-03 -3.3464000000e-03  2.7860000000e-04
-
-JOB 34
-COORDS  2.6279000000e-02  1.3641540000e+00  6.5056100000e-01  7.1810300000e-01  1.9530720000e+00  3.4925200000e-01 -7.7326500000e-01  1.8881080000e+00  6.0123700000e-01  3.4660000000e-02 -1.4704570000e+00 -6.3904100000e-01 -3.2506000000e-02 -6.7395100000e-01 -1.1244900000e-01 -8.3996200000e-01 -1.5873750000e+00 -1.0099830000e+00
-ENERGY -1.526608015417e+02
-FORCES  7.3710000000e-04  6.1953000000e-03 -1.3465000000e-03 -3.8732000000e-03 -1.9039000000e-03  1.7186000000e-03  3.7208000000e-03 -2.4697000000e-03 -1.8710000000e-04 -2.8615000000e-03  6.6832000000e-03  2.7259000000e-03 -3.6230000000e-04 -9.1044000000e-03 -4.1059000000e-03  2.6390000000e-03  5.9960000000e-04  1.1949000000e-03
-
-JOB 35
-COORDS  8.6397100000e-01 -4.5014700000e-01 -1.1871620000e+00  1.7465710000e+00 -6.7465300000e-01 -1.4818590000e+00  5.3427900000e-01 -1.2529890000e+00 -7.8345400000e-01 -9.0504400000e-01  4.8942500000e-01  1.2474370000e+00 -8.0064000000e-02  7.0540700000e-01  8.1270700000e-01 -1.5543280000e+00  4.9023500000e-01  5.4411500000e-01
-ENERGY -1.526593603246e+02
-FORCES  2.3743000000e-03 -5.5659000000e-03 -6.7620000000e-04 -3.9087000000e-03  6.4730000000e-04  1.7068000000e-03  1.8576000000e-03  4.1539000000e-03 -2.5123000000e-03  2.4551000000e-03  2.0810000000e-03 -7.1786000000e-03 -4.2308000000e-03 -3.6130000000e-04  5.3193000000e-03  1.4524000000e-03 -9.5490000000e-04  3.3410000000e-03
-
-JOB 36
-COORDS  1.2427920000e+00  9.4578100000e-01  4.1034700000e-01  1.0103390000e+00  1.7384730000e+00 -7.3220000000e-02  6.0911800000e-01  2.9113600000e-01  1.1687000000e-01 -1.1332610000e+00 -9.4132300000e-01 -3.3671300000e-01 -1.3990550000e+00 -1.6972950000e+00 -8.6025200000e-01 -1.9086020000e+00 -3.8045600000e-01 -3.1418000000e-01
-ENERGY -1.526604456208e+02
-FORCES -5.4662000000e-03 -2.9459000000e-03 -3.8470000000e-03  3.5360000000e-04 -2.4167000000e-03  1.7698000000e-03  6.2288000000e-03  6.8368000000e-03  2.4902000000e-03 -5.0119000000e-03 -2.7816000000e-03 -2.0351000000e-03 -8.1800000000e-05  3.6942000000e-03  2.4193000000e-03  3.9774000000e-03 -2.3868000000e-03 -7.9720000000e-04
-
-JOB 37
-COORDS -1.4771090000e+00 -1.4876200000e-01 -6.8471700000e-01 -1.0513280000e+00  6.1710600000e-01 -1.0699290000e+00 -1.1100660000e+00 -2.0915300000e-01  1.9724900000e-01  1.3901990000e+00  7.2455000000e-02  6.5057600000e-01  1.7355010000e+00  4.3797500000e-01  1.4650650000e+00  1.9180380000e+00  4.7804800000e-01 -3.7256000000e-02
-ENERGY -1.526573006992e+02
-FORCES  7.5384000000e-03  2.4762000000e-03  4.0173000000e-03 -2.2115000000e-03 -1.9815000000e-03 -3.7060000000e-04 -5.8960000000e-03 -9.8300000000e-05 -2.6565000000e-03  5.4678000000e-03  2.2090000000e-03 -4.7740000000e-04 -2.2170000000e-03 -1.5557000000e-03 -3.8054000000e-03 -2.6817000000e-03 -1.0498000000e-03  3.2924000000e-03
-
-JOB 38
-COORDS  6.4018000000e-01 -1.4479650000e+00  2.3138500000e-01  1.1775300000e+00 -1.3466710000e+00 -5.5425200000e-01  1.2720490000e+00 -1.5165240000e+00  9.4711800000e-01 -6.9133500000e-01  1.4652800000e+00 -2.9363200000e-01 -2.9868600000e-01  7.3466600000e-01  1.8413500000e-01 -1.2475750000e+00  1.9024020000e+00  3.5115800000e-01
-ENERGY -1.526596556608e+02
-FORCES  5.9960000000e-03 -3.8094000000e-03 -1.8638000000e-03 -2.4241000000e-03 -7.5800000000e-05  4.5948000000e-03 -3.3228000000e-03  1.3187000000e-03 -3.2400000000e-03 -3.3470000000e-04 -4.4612000000e-03  4.3558000000e-03 -2.1457000000e-03  8.7824000000e-03 -1.9116000000e-03  2.2312000000e-03 -1.7548000000e-03 -1.9352000000e-03
-
-JOB 39
-COORDS -2.2838800000e-01  9.6918200000e-01 -1.2937300000e+00  3.6423500000e-01  1.3459780000e+00 -6.4330400000e-01 -2.4421700000e-01  1.6105960000e+00 -2.0040600000e+00  2.0443600000e-01 -1.0256520000e+00  1.3646780000e+00 -4.3529300000e-01 -5.3115500000e-01  8.5237700000e-01  6.5969500000e-01 -1.5682620000e+00  7.2082600000e-01
-ENERGY -1.526583727236e+02
-FORCES  2.4195000000e-03  5.4010000000e-03 -1.8880000000e-03 -3.8375000000e-03 -2.2501000000e-03 -3.0009000000e-03  7.1890000000e-04 -2.4570000000e-03  3.1571000000e-03 -2.2466000000e-03 -1.2405000000e-03 -6.3413000000e-03  3.8791000000e-03 -1.2706000000e-03  4.6850000000e-03 -9.3350000000e-04  1.8171000000e-03  3.3881000000e-03
-
-JOB 40
-COORDS  1.0919810000e+00 -1.7019200000e-01  1.2649060000e+00  8.2143200000e-01 -4.2318800000e-01  2.1475320000e+00  7.0141100000e-01  6.9361400000e-01  1.1325220000e+00 -1.1306700000e+00  1.4613000000e-01 -1.3060060000e+00 -6.3920400000e-01 -5.3264500000e-01 -8.4344900000e-01 -4.5876500000e-01  7.0436900000e-01 -1.6973420000e+00
-ENERGY -1.526580058357e+02
-FORCES -2.2942000000e-03  3.3423000000e-03  5.0041000000e-03  1.1281000000e-03  1.1226000000e-03 -3.8430000000e-03  2.4771000000e-03 -4.2792000000e-03 -7.8800000000e-05  5.7943000000e-03 -2.4370000000e-03  2.0700000000e-04 -4.1981000000e-03  3.4764000000e-03 -3.4613000000e-03 -2.9072000000e-03 -1.2251000000e-03  2.1720000000e-03
-
-JOB 41
-COORDS -1.2691230000e+00  1.1960470000e+00  1.1227400000e-01 -6.2054400000e-01  6.2593100000e-01 -3.0069600000e-01 -1.6172550000e+00  6.7750700000e-01  8.3763700000e-01  1.1940470000e+00 -1.1530410000e+00 -1.5437100000e-01  1.2920400000e+00 -5.3827200000e-01  5.7273800000e-01  2.0896560000e+00 -1.3268840000e+00 -4.4401900000e-01
-ENERGY -1.526578161319e+02
-FORCES  4.5100000000e-04 -6.0117000000e-03 -8.2910000000e-04 -3.0619000000e-03  5.3013000000e-03  4.0566000000e-03  1.9597000000e-03  2.5429000000e-03 -2.1376000000e-03  6.7497000000e-03 -1.8840000000e-04  1.5785000000e-03 -2.3326000000e-03 -2.3251000000e-03 -4.5215000000e-03 -3.7659000000e-03  6.8100000000e-04  1.8531000000e-03
-
-JOB 42
-COORDS  1.7421910000e+00 -3.7478400000e-01 -3.9299200000e-01  2.3499670000e+00 -1.1132550000e+00 -4.3173800000e-01  8.8881000000e-01 -7.7483300000e-01 -2.2586300000e-01 -1.7372080000e+00  4.0602400000e-01  3.1862000000e-01 -1.4889500000e+00  1.2393540000e+00  7.1882200000e-01 -1.8702370000e+00 -1.8565900000e-01  1.0591910000e+00
-ENERGY -1.526564462363e+02
-FORCES -2.4624000000e-03 -4.0188000000e-03 -3.3860000000e-04 -2.6420000000e-03  2.8196000000e-03  3.4930000000e-04  6.1800000000e-03 -4.1200000000e-05  1.9390000000e-04 -1.0003000000e-03  3.3717000000e-03  4.9160000000e-03 -1.7290000000e-03 -3.9257000000e-03 -1.4109000000e-03  1.6537000000e-03  1.7943000000e-03 -3.7097000000e-03
-
-JOB 43
-COORDS  3.0395200000e-01  1.7629910000e+00 -4.5472900000e-01  1.2300400000e+00  1.9955950000e+00 -3.8773200000e-01  1.4075500000e-01  1.2059350000e+00  3.0638000000e-01 -3.9851800000e-01 -1.7191000000e+00  4.3677300000e-01  3.4730200000e-01 -2.1937810000e+00  8.0373700000e-01 -2.4166000000e-01 -1.7186930000e+00 -5.0748800000e-01
-ENERGY -1.526570985687e+02
-FORCES  2.0883000000e-03 -1.8549000000e-03  4.4185000000e-03 -3.4764000000e-03 -1.2003000000e-03 -4.1270000000e-04  1.8477000000e-03  4.6847000000e-03 -3.7778000000e-03  2.8398000000e-03 -3.7271000000e-03 -3.5578000000e-03 -2.9123000000e-03  2.6260000000e-03 -1.4537000000e-03 -3.8700000000e-04 -5.2830000000e-04  4.7836000000e-03
-
-JOB 44
-COORDS -1.6040010000e+00  2.4018000000e-02  9.8850100000e-01 -1.4862900000e+00 -8.0413000000e-02  4.4324000000e-02 -8.2953400000e-01 -3.8593300000e-01  1.3736950000e+00  1.5873030000e+00  5.1304000000e-02 -9.8589400000e-01  1.3182950000e+00 -3.7333000000e-02 -7.1558000000e-02  1.2575740000e+00 -7.4045600000e-01 -1.4108960000e+00
-ENERGY -1.526528133016e+02
-FORCES  2.4606000000e-03 -1.4588000000e-03 -2.5387000000e-03 -2.5280000000e-04 -5.6060000000e-04  4.7630000000e-03 -1.8260000000e-03  2.0027000000e-03 -2.6186000000e-03 -6.9730000000e-04 -3.1935000000e-03  1.7534000000e-03 -1.0580000000e-04 -6.4490000000e-04 -3.7310000000e-03  4.2130000000e-04  3.8551000000e-03  2.3719000000e-03
-
-JOB 45
-COORDS  1.5726900000e+00  8.9011200000e-01 -5.3458000000e-01  8.0053500000e-01  6.7368800000e-01 -1.0572350000e+00  1.2463670000e+00  9.4700500000e-01  3.6347800000e-01 -1.5144720000e+00 -8.9147800000e-01  4.5379100000e-01 -1.3695010000e+00 -9.2355000000e-02  9.6036600000e-01 -1.7617360000e+00 -1.5473230000e+00  1.1056800000e+00
-ENERGY -1.526546459807e+02
-FORCES -5.0222000000e-03 -2.5930000000e-03  9.5330000000e-04  3.9038000000e-03  2.6521000000e-03  2.0024000000e-03  8.3940000000e-04  7.0630000000e-04 -2.7932000000e-03 -1.6437000000e-03 -1.0534000000e-03  5.4207000000e-03  1.0068000000e-03 -2.8173000000e-03 -2.9351000000e-03  9.1580000000e-04  3.1053000000e-03 -2.6482000000e-03
-
-JOB 46
-COORDS -5.7724200000e-01 -1.4953850000e+00  9.8212700000e-01 -5.1446000000e-01 -8.4818900000e-01  2.7968300000e-01  2.9792100000e-01 -1.8797090000e+00  1.0332740000e+00  5.2665300000e-01  1.4126420000e+00 -9.5304100000e-01  6.5677500000e-01  2.0655270000e+00 -1.6408210000e+00  3.3019600000e-01  1.9256920000e+00 -1.6919400000e-01
-ENERGY -1.526581073771e+02
-FORCES  4.3150000000e-03  1.5522000000e-03 -4.2672000000e-03 -1.6238000000e-03 -3.9159000000e-03  5.2109000000e-03 -3.3952000000e-03  1.0263000000e-03  4.0980000000e-04  4.3360000000e-04  6.4269000000e-03 -9.8920000000e-04 -3.5690000000e-04 -2.2614000000e-03  3.3044000000e-03  6.2730000000e-04 -2.8282000000e-03 -3.6688000000e-03
-
-JOB 47
-COORDS  7.8929000000e-01 -1.1347370000e+00  1.1878230000e+00  1.6876250000e+00 -1.2088020000e+00  1.5099120000e+00  7.5995500000e-01 -1.7108300000e+00  4.2396000000e-01 -7.9552000000e-01  1.1613210000e+00 -1.2152360000e+00 -8.4298200000e-01  6.4745700000e-01 -4.0905800000e-01 -1.4963610000e+00  1.8076180000e+00 -1.1294860000e+00
-ENERGY -1.526571770479e+02
-FORCES  5.4902000000e-03 -2.9874000000e-03 -1.2343000000e-03 -3.7112000000e-03 -3.6650000000e-04 -1.1832000000e-03 -5.5540000000e-04  2.8698000000e-03  3.4804000000e-03 -2.1996000000e-03  4.1110000000e-04  4.9266000000e-03 -1.7116000000e-03  2.5002000000e-03 -5.6575000000e-03  2.6876000000e-03 -2.4272000000e-03 -3.3200000000e-04
-
-JOB 48
-COORDS  4.3250800000e-01  1.3949600000e+00  1.1601130000e+00  5.2323200000e-01  9.6926800000e-01  3.0759500000e-01  8.9678500000e-01  2.2264640000e+00  1.0637780000e+00 -4.5722200000e-01 -1.4748620000e+00 -1.0702270000e+00 -1.2502670000e+00 -9.3889500000e-01 -1.0630870000e+00  1.5907100000e-01 -9.8431800000e-01 -1.6140850000e+00
-ENERGY -1.526539465009e+02
-FORCES  2.6574000000e-03  5.8750000000e-04 -3.1717000000e-03 -4.5010000000e-04  3.7110000000e-03  2.4185000000e-03 -2.0104000000e-03 -3.6637000000e-03  1.1350000000e-04 -2.3109000000e-03  2.0505000000e-03 -2.9578000000e-03  4.4102000000e-03 -1.9704000000e-03 -2.6750000000e-04 -2.2962000000e-03 -7.1500000000e-04  3.8649000000e-03
-
-JOB 49
-COORDS  1.2360710000e+00 -7.4195400000e-01  1.2057690000e+00  8.0349400000e-01 -5.5172700000e-01  3.7334900000e-01  1.9776870000e+00 -1.2989160000e+00  9.6906200000e-01 -1.2379050000e+00  7.1631000000e-01 -1.1048330000e+00 -1.5625010000e+00  1.6034900000e+00 -9.5061800000e-01 -1.1862440000e+00  6.4192400000e-01 -2.0577390000e+00
-ENERGY -1.526574441591e+02
-FORCES -5.5320000000e-04 -6.1890000000e-04 -4.9496000000e-03  4.9454000000e-03 -2.6392000000e-03  4.6586000000e-03 -2.7859000000e-03  2.1179000000e-03  7.0090000000e-04 -2.9847000000e-03  4.8041000000e-03 -3.2272000000e-03  1.1324000000e-03 -3.8113000000e-03 -1.4097000000e-03  2.4590000000e-04  1.4730000000e-04  4.2271000000e-03
-
-JOB 50
-COORDS  1.4162960000e+00  1.3113030000e+00 -1.4211900000e-01  1.2534340000e+00  1.2348840000e+00 -1.0822620000e+00  7.5319700000e-01  1.9285780000e+00  1.6691700000e-01 -1.4155630000e+00 -1.3310280000e+00  2.2437500000e-01 -5.1694300000e-01 -1.6259380000e+00  3.7183100000e-01 -1.4871510000e+00 -1.2455750000e+00 -7.2631100000e-01
-ENERGY -1.526550550087e+02
-FORCES -4.0637000000e-03  3.0440000000e-03 -1.9116000000e-03  5.9950000000e-04 -3.7930000000e-04  3.6796000000e-03  3.3795000000e-03 -2.0652000000e-03 -1.6701000000e-03  4.6477000000e-03 -6.7480000000e-04 -2.7345000000e-03 -4.6240000000e-03  6.2300000000e-05 -8.5010000000e-04  6.1000000000e-05  1.2900000000e-05  3.4867000000e-03
-
-JOB 51
-COORDS  5.1750400000e-01  1.7788930000e+00 -8.0185200000e-01  2.8762300000e-01  1.6473510000e+00  1.1797600000e-01  2.4574000000e-01  2.6769860000e+00 -9.9107500000e-01 -5.4021800000e-01 -1.7954620000e+00  7.3824500000e-01 -4.7573000000e-01 -2.6377670000e+00  1.1883520000e+00  3.6713800000e-01 -1.5495700000e+00  5.5803800000e-01
-ENERGY -1.526549671522e+02
-FORCES -3.1977000000e-03  3.3059000000e-03  2.7797000000e-03  2.1591000000e-03  5.6450000000e-04 -3.8487000000e-03  1.2205000000e-03 -3.4909000000e-03  7.9650000000e-04  4.1170000000e-03 -3.0536000000e-03  1.3800000000e-04 -2.9280000000e-04  3.4677000000e-03 -1.8545000000e-03 -4.0062000000e-03 -7.9370000000e-04  1.9890000000e-03
-
-JOB 52
-COORDS  1.2558320000e+00 -1.3456350000e+00 -8.5870100000e-01  1.1773780000e+00 -9.1487600000e-01 -1.7098900000e+00  2.1741360000e+00 -1.2296610000e+00 -6.1477400000e-01 -1.3243930000e+00  1.3894220000e+00  8.7534900000e-01 -1.2321120000e+00  1.0165770000e+00  1.7521060000e+00 -1.1875050000e+00  6.4917400000e-01  2.8414100000e-01
-ENERGY -1.526562010486e+02
-FORCES  4.8438000000e-03  1.8740000000e-03 -2.8054000000e-03 -2.1560000000e-04 -1.7100000000e-03  3.8767000000e-03 -3.8157000000e-03 -7.0000000000e-04 -1.1641000000e-03  1.7002000000e-03 -5.6276000000e-03  1.0540000000e-03 -6.3900000000e-04  1.9186000000e-03 -3.0305000000e-03 -1.8737000000e-03  4.2449000000e-03  2.0693000000e-03
-
-JOB 53
-COORDS -6.2815000000e-01 -2.6890200000e-01  1.9523770000e+00 -1.0511220000e+00  3.0511700000e-01  2.5909920000e+00 -3.4369100000e-01  3.1902000000e-01  1.2526180000e+00  6.4283800000e-01  2.7067900000e-01 -1.9455950000e+00  7.3111300000e-01 -3.5683600000e-01 -1.2281940000e+00  4.9412700000e-01 -2.7057500000e-01 -2.7209410000e+00
-ENERGY -1.526553654506e+02
-FORCES -1.2633000000e-03  5.6805000000e-03  2.8040000000e-04  1.7017000000e-03 -2.4373000000e-03 -2.4347000000e-03 -3.5590000000e-04 -3.9380000000e-03  2.7571000000e-03 -5.9900000000e-05 -5.7425000000e-03 -1.4640000000e-03 -8.5400000000e-04  4.1005000000e-03 -2.1907000000e-03  8.3130000000e-04  2.3368000000e-03  3.0520000000e-03
-
-JOB 54
-COORDS -1.4264320000e+00 -1.2435990000e+00 -7.5760900000e-01 -1.0716120000e+00 -2.0623020000e+00 -1.1041050000e+00 -2.3484350000e+00 -1.2538440000e+00 -1.0145850000e+00  1.4531900000e+00  1.2565100000e+00  8.4833200000e-01  9.4983900000e-01  1.1396960000e+00  4.2588000000e-02  2.0234180000e+00  2.0040720000e+00  6.6882800000e-01
-ENERGY -1.526553637454e+02
-FORCES -2.8606000000e-03 -4.2428000000e-03 -1.8858000000e-03 -1.5843000000e-03  3.5811000000e-03  1.1281000000e-03  3.9007000000e-03  1.2900000000e-05  8.9370000000e-04 -8.7240000000e-04  1.7942000000e-03 -4.2524000000e-03  3.6461000000e-03  1.8153000000e-03  3.3986000000e-03 -2.2295000000e-03 -2.9607000000e-03  7.1780000000e-04
-
-JOB 55
-COORDS -1.1136500000e-01 -1.8137740000e+00 -9.4935500000e-01  4.5442900000e-01 -1.4843570000e+00 -1.6476340000e+00 -3.9407700000e-01 -2.6753600000e+00 -1.2559110000e+00  1.2674400000e-01  1.7912740000e+00  1.0135120000e+00  6.5983000000e-02  2.5994990000e+00  1.5227400000e+00 -4.3336100000e-01  1.9443950000e+00  2.5254600000e-01
-ENERGY -1.526535089657e+02
-FORCES  1.7930000000e-03 -2.3300000000e-03 -3.6642000000e-03 -2.7821000000e-03 -1.2745000000e-03  2.5322000000e-03  1.1142000000e-03  3.6038000000e-03  1.3080000000e-03 -3.1203000000e-03  3.1464000000e-03 -1.1308000000e-03  3.1570000000e-04 -3.3740000000e-03 -2.0207000000e-03  2.6794000000e-03  2.2840000000e-04  2.9755000000e-03
-
-JOB 56
-COORDS  2.1466800000e-01 -1.9905610000e+00  8.6594000000e-01  7.4636100000e-01 -1.8218450000e+00  8.8078000000e-02 -5.3724300000e-01 -1.4053680000e+00  7.7422800000e-01 -2.2576300000e-01  1.9129580000e+00 -7.6754300000e-01  2.9236200000e-01  1.5490240000e+00 -1.4854080000e+00 -2.7411300000e-01  2.8498860000e+00 -9.5743300000e-01
-ENERGY -1.526550348756e+02
-FORCES -1.2063000000e-03  4.3118000000e-03 -3.2231000000e-03 -1.7792000000e-03 -1.0798000000e-03  2.6480000000e-03  2.9770000000e-03 -3.7081000000e-03  4.3130000000e-04  1.9725000000e-03  3.7263000000e-03 -3.6641000000e-03 -2.2485000000e-03  7.0410000000e-04  3.2142000000e-03  2.8450000000e-04 -3.9544000000e-03  5.9380000000e-04
-
-JOB 57
-COORDS -1.5688010000e+00 -1.0560250000e+00 -8.4849600000e-01 -2.0474770000e+00 -1.6483330000e+00 -1.4283860000e+00 -1.5308350000e+00 -1.5185170000e+00 -1.1304000000e-02  1.6572000000e+00  1.1506650000e+00  8.3291700000e-01  1.4945600000e+00  2.1737000000e-01  6.9602000000e-01  7.8520100000e-01  1.5365000000e+00  9.1647800000e-01
-ENERGY -1.526550109117e+02
-FORCES -2.8339000000e-03 -4.8347000000e-03 -4.4600000000e-05  1.9408000000e-03  2.3876000000e-03  2.6400000000e-03  7.0360000000e-04  2.5029000000e-03 -3.2546000000e-03 -4.9242000000e-03 -2.2543000000e-03 -1.6432000000e-03  1.2246000000e-03  3.4481000000e-03  1.7015000000e-03  3.8891000000e-03 -1.2496000000e-03  6.0100000000e-04
-
-JOB 58
-COORDS  5.0279800000e-01 -1.7066840000e+00 -1.2395110000e+00  1.5757700000e-01 -1.8731600000e+00 -3.6239100000e-01  1.1649640000e+00 -2.3855320000e+00 -1.3696350000e+00 -5.5639200000e-01  1.7890160000e+00  1.1563720000e+00 -8.4201500000e-01  1.0227690000e+00  1.6538830000e+00  3.6285200000e-01  1.9028720000e+00  1.3977400000e+00
-ENERGY -1.526531053531e+02
-FORCES  9.6650000000e-04 -3.3606000000e-03  2.7536000000e-03  1.5454000000e-03  6.1330000000e-04 -3.1402000000e-03 -2.6949000000e-03  2.9791000000e-03  6.0870000000e-04  2.9024000000e-03 -2.4493000000e-03  2.3311000000e-03  1.1983000000e-03  2.6533000000e-03 -2.0086000000e-03 -3.9178000000e-03 -4.3570000000e-04 -5.4460000000e-04
-
-JOB 59
-COORDS -3.6721600000e-01  6.3914100000e-01  2.1141160000e+00 -1.9121400000e-01 -2.0934600000e-01  2.5207180000e+00  6.9446000000e-02  5.9286800000e-01  1.2635760000e+00  3.2756800000e-01 -6.5957300000e-01 -2.0833450000e+00  8.2549600000e-01 -1.0239700000e-01 -1.4851360000e+00 -1.4818600000e-01 -4.5829000000e-02 -2.6429960000e+00
-ENERGY -1.526534887543e+02
-FORCES  1.9209000000e-03 -4.5212000000e-03 -1.6613000000e-03 -5.5670000000e-04  3.8054000000e-03 -1.4776000000e-03 -9.3060000000e-04  9.4690000000e-04  2.8298000000e-03 -4.7900000000e-05  4.8550000000e-03 -1.3070000000e-03 -2.6159000000e-03 -2.4150000000e-03 -8.7080000000e-04  2.2301000000e-03 -2.6711000000e-03  2.4869000000e-03
-
-JOB 60
-COORDS  1.6398440000e+00 -1.4606810000e+00 -4.3270100000e-01  1.3612100000e+00 -2.2847420000e+00 -3.3304000000e-02  1.0093790000e+00 -1.3101110000e+00 -1.1370270000e+00 -1.5945630000e+00  1.4368730000e+00  4.3231600000e-01 -1.9068710000e+00  1.8272040000e+00  1.2486110000e+00 -1.1986630000e+00  2.1653820000e+00 -4.5983000000e-02
-ENERGY -1.526544565606e+02
-FORCES -4.8523000000e-03 -2.1816000000e-03 -7.0840000000e-04  1.4998000000e-03  2.9487000000e-03 -1.6649000000e-03  3.2614000000e-03 -9.3440000000e-04  2.1776000000e-03  9.7420000000e-04  4.6798000000e-03  1.9025000000e-03  1.0552000000e-03 -1.5257000000e-03 -3.3714000000e-03 -1.9383000000e-03 -2.9868000000e-03  1.6646000000e-03
-
-JOB 61
-COORDS  2.2747800000e+00  2.1192300000e-01 -4.6117500000e-01  1.4008360000e+00 -1.0903800000e-01 -6.8352100000e-01  2.2715590000e+00  2.7473800000e-01  4.9395600000e-01 -2.2429320000e+00 -2.3013300000e-01  3.6327700000e-01 -2.3133840000e+00  7.0168200000e-01  5.7061600000e-01 -1.9628120000e+00 -6.3782400000e-01  1.1827600000e+00
-ENERGY -1.526550075785e+02
-FORCES -4.0421000000e-03 -1.3194000000e-03  2.4884000000e-03  4.6048000000e-03  1.4949000000e-03  1.1786000000e-03  5.9000000000e-06 -1.4790000000e-04 -3.5924000000e-03 -9.0070000000e-04  2.2662000000e-03  4.5114000000e-03  7.3880000000e-04 -4.1405000000e-03 -8.5140000000e-04 -4.0660000000e-04  1.8467000000e-03 -3.7345000000e-03
-
-JOB 62
-COORDS  2.1919730000e+00  2.4101300000e-01 -5.4435500000e-01  3.1039660000e+00 -4.4997000000e-02 -4.9239700000e-01  1.8331320000e+00 -2.3598000000e-01 -1.2926480000e+00 -2.1784760000e+00 -1.5400700000e-01  5.7619500000e-01 -2.6265390000e+00 -4.9435500000e-01  1.3505550000e+00 -2.4958340000e+00 -6.9920700000e-01 -1.4371600000e-01
-ENERGY -1.526530668295e+02
-FORCES  1.5723000000e-03 -3.1103000000e-03 -2.7233000000e-03 -3.7333000000e-03  1.1930000000e-03 -1.0360000000e-04  1.8223000000e-03  1.8190000000e-03  2.7241000000e-03 -2.8358000000e-03 -3.5012000000e-03  6.2390000000e-04  1.6937000000e-03  1.3989000000e-03 -3.2393000000e-03  1.4807000000e-03  2.2006000000e-03  2.7182000000e-03
-
-JOB 63
-COORDS -2.1473370000e+00 -8.7726000000e-02 -8.4054100000e-01 -1.8823580000e+00  7.3400300000e-01 -4.2728600000e-01 -2.8784170000e+00  1.5435600000e-01 -1.4090030000e+00  2.2243710000e+00  5.4255000000e-02  8.8872600000e-01  1.5480960000e+00  5.3590900000e-01  4.1239200000e-01  2.0425070000e+00 -8.6607200000e-01  6.9858000000e-01
-ENERGY -1.526546422866e+02
-FORCES -3.1085000000e-03  4.3023000000e-03 -8.2530000000e-04 -7.7400000000e-05 -3.5823000000e-03 -1.8225000000e-03  3.0733000000e-03 -9.5020000000e-04  2.4366000000e-03 -3.7298000000e-03 -2.4571000000e-03 -3.0853000000e-03  2.6153000000e-03 -1.1402000000e-03  2.2713000000e-03  1.2270000000e-03  3.8275000000e-03  1.0252000000e-03
-
-JOB 64
-COORDS  2.4036310000e+00 -1.5209000000e-01  3.0982100000e-01  1.9540550000e+00 -5.2871000000e-02 -5.2938700000e-01  2.5756510000e+00 -1.0910580000e+00  3.8038300000e-01 -2.4348140000e+00  2.0492500000e-01 -2.3462600000e-01 -1.8572340000e+00  9.3296700000e-01 -4.6395000000e-01 -2.0023700000e+00 -5.6801800000e-01 -5.9764400000e-01
-ENERGY -1.526534521191e+02
-FORCES -4.5740000000e-04 -3.6408000000e-03 -2.8023000000e-03  1.1113000000e-03 -2.9750000000e-04  3.4583000000e-03 -8.6220000000e-04  3.9704000000e-03 -4.7540000000e-04  4.1147000000e-03  4.3600000000e-05 -1.7859000000e-03 -2.3594000000e-03 -3.2189000000e-03  4.3980000000e-04 -1.5470000000e-03  3.1431000000e-03  1.1655000000e-03
-
-JOB 65
-COORDS  2.3258230000e+00 -8.3115200000e-01 -1.9058400000e-01  2.3204200000e+00 -2.4557800000e-01 -9.4775300000e-01  1.4018840000e+00 -9.4205500000e-01  3.3626000000e-02 -2.2272690000e+00  8.3183800000e-01  2.5735900000e-01 -2.5264580000e+00  1.0560030000e+00 -6.2381500000e-01 -2.7329240000e+00  5.3637000000e-02  4.9177000000e-01
-ENERGY -1.526549893379e+02
-FORCES -4.3297000000e-03  2.6286000000e-03 -1.7126000000e-03  3.2490000000e-04 -2.5313000000e-03  2.6972000000e-03  4.2817000000e-03 -4.3700000000e-04 -1.1562000000e-03 -4.4077000000e-03 -1.6228000000e-03 -2.2867000000e-03  1.5990000000e-03 -1.1363000000e-03  3.6098000000e-03  2.5318000000e-03  3.0988000000e-03 -1.1516000000e-03
-
-JOB 66
-COORDS -8.8410300000e-01 -1.5689380000e+00  1.7423630000e+00 -1.0986000000e-02 -1.3660830000e+00  2.0781430000e+00 -1.0984830000e+00 -8.3193600000e-01  1.1704360000e+00  8.5568100000e-01  1.5307800000e+00 -1.6744430000e+00  1.1085850000e+00  1.9766060000e+00 -2.4828430000e+00  3.8931700000e-01  7.4805900000e-01 -1.9678460000e+00
-ENERGY -1.526548690134e+02
-FORCES  2.9145000000e-03  4.3750000000e-03 -5.6320000000e-04 -3.6410000000e-03 -1.1921000000e-03 -1.2730000000e-03  5.9780000000e-04 -3.5348000000e-03  1.8788000000e-03 -4.4930000000e-04 -9.8760000000e-04 -5.2084000000e-03 -1.0687000000e-03 -1.9039000000e-03  3.3006000000e-03  1.6467000000e-03  3.2434000000e-03  1.8653000000e-03
-
-JOB 67
-COORDS  1.3378500000e+00  3.7738500000e-01  2.0906260000e+00  1.0467880000e+00  4.8496600000e-01  1.1851190000e+00  5.9657400000e-01 -3.5642000000e-02  2.5335150000e+00 -1.2269410000e+00 -3.1085700000e-01 -2.0706140000e+00 -1.0941810000e+00 -1.2581790000e+00 -2.1050880000e+00 -2.1650790000e+00 -2.0560000000e-01 -1.9123400000e+00
-ENERGY -1.526551991102e+02
-FORCES -4.3239000000e-03 -9.5910000000e-04 -2.5157000000e-03  1.6005000000e-03 -5.5090000000e-04  4.5285000000e-03  2.9464000000e-03  1.4966000000e-03 -1.5379000000e-03 -3.7704000000e-03 -3.5949000000e-03 -6.7790000000e-04 -5.1120000000e-04  4.0983000000e-03  5.5470000000e-04  4.0586000000e-03 -4.9000000000e-04 -3.5170000000e-04
-
-JOB 68
-COORDS -1.2540770000e+00  1.2307760000e+00  1.6701900000e+00 -1.3670680000e+00  5.9471800000e-01  2.3765140000e+00 -7.6549100000e-01  1.9498830000e+00  2.0706910000e+00  1.2538150000e+00 -1.2630660000e+00 -1.7830320000e+00  1.7303650000e+00 -9.9382200000e-01 -9.9776800000e-01  3.3948500000e-01 -1.0534010000e+00 -1.5925780000e+00
-ENERGY -1.526552103563e+02
-FORCES  9.1510000000e-04  1.0191000000e-03  5.0827000000e-03  7.3690000000e-04  2.4991000000e-03 -3.1774000000e-03 -1.8858000000e-03 -3.1963000000e-03 -1.6897000000e-03 -2.3136000000e-03  2.5511000000e-03  4.2195000000e-03 -1.3815000000e-03 -1.3887000000e-03 -3.1828000000e-03  3.9288000000e-03 -1.4844000000e-03 -1.2522000000e-03
-
-JOB 69
-COORDS  1.1450290000e+00  1.5743590000e+00 -1.5855560000e+00  2.8043500000e-01  1.8842600000e+00 -1.8551320000e+00  9.6629500000e-01  9.3126800000e-01 -8.9946600000e-01 -1.0969120000e+00 -1.5117090000e+00  1.5076960000e+00 -9.0146600000e-01 -2.4472730000e+00  1.4552260000e+00 -1.1037600000e+00 -1.3201990000e+00  2.4455170000e+00
-ENERGY -1.526556800267e+02
-FORCES -4.7006000000e-03 -1.8671000000e-03  2.1147000000e-03  3.5429000000e-03 -8.9040000000e-04  7.8040000000e-04  1.4842000000e-03  3.1526000000e-03 -3.2492000000e-03  3.2480000000e-04 -3.5973000000e-03  4.0791000000e-03 -7.5340000000e-04  3.9808000000e-03  2.5150000000e-04  1.0210000000e-04 -7.7860000000e-04 -3.9765000000e-03
-
-JOB 70
-COORDS  6.5058000000e-02 -8.4935100000e-01 -2.3197540000e+00  9.9137600000e-01 -6.6528200000e-01 -2.4755890000e+00 -3.9932700000e-01 -2.7892400000e-01 -2.9322830000e+00 -1.5334300000e-01  8.3349500000e-01  2.3655790000e+00  6.1849700000e-01  1.2351730000e+00  2.7645140000e+00  1.8696500000e-01  6.8622000000e-02  1.9014770000e+00
-ENERGY -1.526545508909e+02
-FORCES  1.3994000000e-03  3.3543000000e-03 -3.5706000000e-03 -3.6825000000e-03 -8.2330000000e-04  9.8860000000e-04  2.0970000000e-03 -2.4828000000e-03  2.3333000000e-03  4.2325000000e-03 -1.9164000000e-03 -7.6560000000e-04 -3.0401000000e-03 -1.5220000000e-03 -1.6400000000e-03 -1.0063000000e-03  3.3902000000e-03  2.6543000000e-03
-
-JOB 71
-COORDS  1.0413390000e+00 -6.8680200000e-01 -2.1491390000e+00  6.4208900000e-01 -1.5567580000e+00 -2.1516930000e+00  1.3352030000e+00 -5.5496400000e-01 -3.0505230000e+00 -1.0555640000e+00  7.7751200000e-01  2.2094020000e+00 -8.2200400000e-01  1.4061000000e-02  2.7374400000e+00 -9.2856400000e-01  4.9157700000e-01  1.3047780000e+00
-ENERGY -1.526548522410e+02
-FORCES  1.1050000000e-04 -2.8323000000e-03 -4.4344000000e-03  1.4138000000e-03  3.7156000000e-03  4.5550000000e-04 -1.2442000000e-03 -7.4520000000e-04  3.7019000000e-03  2.0566000000e-03 -4.0269000000e-03 -2.1008000000e-03 -1.1121000000e-03  2.9422000000e-03 -1.9683000000e-03 -1.2247000000e-03  9.4650000000e-04  4.3461000000e-03
-
-JOB 72
-COORDS -4.8320000000e-01  7.5664500000e-01 -2.5863900000e+00 -1.3635200000e+00  6.1528900000e-01 -2.2381270000e+00 -6.2031000000e-02  1.3320550000e+00 -1.9478360000e+00  5.2335300000e-01 -7.3056100000e-01  2.4872980000e+00  7.5306500000e-01 -1.6545720000e+00  2.3889810000e+00  7.9623000000e-02 -6.8236400000e-01  3.3340650000e+00
-ENERGY -1.526547449346e+02
-FORCES -1.6273000000e-03  1.6171000000e-03  4.6886000000e-03  3.3084000000e-03  5.8330000000e-04 -1.7421000000e-03 -1.7794000000e-03 -2.0293000000e-03 -3.0989000000e-03 -5.9730000000e-04 -3.8788000000e-03  3.1330000000e-03 -1.0334000000e-03  3.8400000000e-03  5.5880000000e-04  1.7291000000e-03 -1.3230000000e-04 -3.5393000000e-03
-
-JOB 73
-COORDS  1.5062200000e+00 -1.1380870000e+00  1.8583350000e+00  1.9420560000e+00 -5.2334300000e-01  2.4485620000e+00  1.1742100000e+00 -1.8279730000e+00  2.4328410000e+00 -1.5393750000e+00  1.1600230000e+00 -1.8722960000e+00 -1.8847630000e+00  9.2645600000e-01 -2.7339140000e+00 -5.9057200000e-01  1.0706030000e+00 -1.9617820000e+00
-ENERGY -1.526542961637e+02
-FORCES -2.6900000000e-05 -2.7370000000e-04  4.9299000000e-03 -1.6259000000e-03 -2.5276000000e-03 -2.4860000000e-03  1.5581000000e-03  2.7347000000e-03 -2.2897000000e-03  2.8677000000e-03 -1.7220000000e-03 -3.4487000000e-03  1.2904000000e-03  9.8830000000e-04  3.4299000000e-03 -4.0634000000e-03  8.0030000000e-04 -1.3540000000e-04
-
-JOB 74
-COORDS  9.7209900000e-01 -2.3788060000e+00 -1.2135620000e+00  1.5725450000e+00 -2.5895410000e+00 -1.9286050000e+00  1.3137460000e+00 -1.5638840000e+00 -8.4557900000e-01 -1.0194720000e+00  2.3005490000e+00  1.2764880000e+00 -1.7428460000e+00  2.5333750000e+00  6.9446200000e-01 -3.2102200000e-01  2.9140910000e+00  1.0485330000e+00
-ENERGY -1.526541400120e+02
-FORCES  3.6830000000e-03  2.6002000000e-03 -1.0032000000e-03 -2.4562000000e-03  8.9060000000e-04  2.8460000000e-03 -1.0871000000e-03 -3.4810000000e-03 -1.8925000000e-03 -5.8090000000e-04  3.5431000000e-03 -3.1874000000e-03  3.1014000000e-03 -8.3280000000e-04  2.4016000000e-03 -2.6602000000e-03 -2.7201000000e-03  8.3550000000e-04
-
-JOB 75
-COORDS  3.2312500000e-01  7.3457100000e-01  2.7670000000e+00  3.5026800000e-01  6.5455800000e-01  1.8135370000e+00 -6.0392400000e-01  8.5747300000e-01  2.9712240000e+00 -3.1764300000e-01 -7.3727800000e-01 -2.7669940000e+00  3.8627100000e-01 -9.3466000000e-02 -2.6879800000e+00 -1.5747900000e-01 -1.3565890000e+00 -2.0549310000e+00
-ENERGY -1.526539205684e+02
-FORCES -3.9738000000e-03  4.5400000000e-04 -2.8085000000e-03  1.8920000000e-04  3.3100000000e-05  3.6486000000e-03  3.9154000000e-03 -5.7590000000e-04 -8.4570000000e-04  3.7669000000e-03 -3.1890000000e-04  2.5053000000e-03 -3.1099000000e-03 -2.5723000000e-03  1.0580000000e-04 -7.8770000000e-04  2.9801000000e-03 -2.6055000000e-03
-
-JOB 76
-COORDS  1.3076300000e-01  1.6349630000e+00  2.5057890000e+00  3.4995000000e-01  7.1996100000e-01  2.3298330000e+00 -2.7767200000e-01  1.9437030000e+00  1.6970290000e+00 -1.1286500000e-01 -1.6559790000e+00 -2.4945380000e+00 -6.5587300000e-01 -8.6916100000e-01 -2.5424070000e+00  3.5782300000e-01 -1.5726440000e+00 -1.6652370000e+00
-ENERGY -1.526533385942e+02
-FORCES -8.2560000000e-04 -2.2661000000e-03 -3.5783000000e-03 -9.1520000000e-04  3.7449000000e-03  3.0570000000e-04  1.7670000000e-03 -1.5559000000e-03  3.1081000000e-03 -2.3950000000e-04  3.3469000000e-03  2.7649000000e-03  2.3180000000e-03 -3.1756000000e-03  5.1990000000e-04 -2.1046000000e-03 -9.4200000000e-05 -3.1203000000e-03
-
-JOB 77
-COORDS -1.5861710000e+00 -1.1235310000e+00  2.3887090000e+00 -1.8604320000e+00 -8.2294900000e-01  3.2551170000e+00 -2.3911720000e+00 -1.1296090000e+00  1.8708590000e+00  1.6224340000e+00  1.1090810000e+00 -2.4632570000e+00  1.1878840000e+00  1.3772430000e+00 -1.6536350000e+00  2.4859990000e+00  8.0582300000e-01 -2.1830410000e+00
-ENERGY -1.526545121346e+02
-FORCES -4.6118000000e-03  9.1000000000e-04  1.4931000000e-03  1.1798000000e-03 -1.1551000000e-03 -3.5786000000e-03  3.3615000000e-03  1.5410000000e-04  2.1600000000e-03  1.6765000000e-03 -4.2220000000e-04  4.7395000000e-03  1.7748000000e-03 -8.2040000000e-04 -3.5303000000e-03 -3.3808000000e-03  1.3335000000e-03 -1.2838000000e-03
-
-JOB 78
-COORDS -1.6847410000e+00  2.7832220000e+00 -4.6100900000e-01 -1.0078710000e+00  2.6561870000e+00  2.0377700000e-01 -1.8176760000e+00  3.7306980000e+00 -4.9015100000e-01  1.6421530000e+00 -2.8958450000e+00  4.5229400000e-01  1.8875760000e+00 -2.7656010000e+00 -4.6369500000e-01  1.5430560000e+00 -2.0105050000e+00  8.0241300000e-01
-ENERGY -1.526539745222e+02
-FORCES  1.9381000000e-03  3.5699000000e-03  2.6326000000e-03 -2.5599000000e-03  2.8980000000e-04 -2.7863000000e-03  6.0300000000e-04 -3.9195000000e-03  1.1950000000e-04  3.7860000000e-04  4.0969000000e-03 -2.5002000000e-03 -8.7220000000e-04 -5.4190000000e-04  3.8170000000e-03  5.1240000000e-04 -3.4952000000e-03 -1.2825000000e-03
-
-JOB 79
-COORDS  2.1012200000e+00 -1.6365990000e+00 -2.0859860000e+00  3.0504400000e+00 -1.7549220000e+00 -2.0511570000e+00  1.8506680000e+00 -1.9599070000e+00 -2.9513920000e+00 -2.1352660000e+00  1.6065560000e+00  2.0863880000e+00 -1.3980540000e+00  2.0406350000e+00  2.5157190000e+00 -2.9064700000e+00  2.0828010000e+00  2.3940680000e+00
-ENERGY -1.526537185355e+02
-FORCES  2.6420000000e-03 -1.8011000000e-03 -3.3692000000e-03 -3.8381000000e-03  5.1510000000e-04 -1.1060000000e-04  1.1105000000e-03  1.3010000000e-03  3.4997000000e-03  1.0580000000e-04  3.6162000000e-03  2.8721000000e-03 -3.1171000000e-03 -1.6787000000e-03 -1.6283000000e-03  3.0968000000e-03 -1.9524000000e-03 -1.2637000000e-03
-
-JOB 80
-COORDS  1.3978150000e+00  2.0714700000e+00 -2.4616140000e+00  7.7372500000e-01  1.3836430000e+00 -2.6932080000e+00  2.0648790000e+00  2.0309290000e+00 -3.1468980000e+00 -1.3520310000e+00 -2.0524790000e+00  2.5447520000e+00 -2.0807500000e+00 -1.5759740000e+00  2.9424250000e+00 -1.5862130000e+00 -2.1201970000e+00  1.6191150000e+00
-ENERGY -1.526539015922e+02
-FORCES  3.5680000000e-04 -2.9865000000e-03 -3.6945000000e-03  2.4061000000e-03  2.7850000000e-03  9.6330000000e-04 -2.7745000000e-03  1.7630000000e-04  2.7740000000e-03 -3.8549000000e-03  1.8571000000e-03 -2.0800000000e-03  2.9296000000e-03 -2.0284000000e-03 -1.6381000000e-03  9.3690000000e-04  1.9650000000e-04  3.6753000000e-03
-
-JOB 81
-COORDS  1.5338460000e+00 -3.2027890000e+00  7.8250700000e-01  9.7585600000e-01 -3.9804900000e+00  7.9020100000e-01  1.2405110000e+00 -2.7044930000e+00  1.9691000000e-02 -1.5396970000e+00  3.2102510000e+00 -7.6031300000e-01 -1.0384700000e+00  2.5569650000e+00 -2.7223600000e-01 -9.6023700000e-01  3.9706160000e+00 -8.0830000000e-01
-ENERGY -1.526541916043e+02
-FORCES -3.4764000000e-03 -1.3954000000e-03 -3.1284000000e-03  2.2961000000e-03  3.2164000000e-03 -2.3500000000e-05  1.2089000000e-03 -1.8260000000e-03  3.2047000000e-03  4.4122000000e-03  6.0470000000e-04  1.9487000000e-03 -2.0678000000e-03  2.5308000000e-03 -2.1512000000e-03 -2.3729000000e-03 -3.1305000000e-03  1.4970000000e-04
-
-JOB 82
-COORDS -4.3587400000e-01 -3.2475360000e+00  1.5134900000e+00  1.5320000000e-03 -4.0915090000e+00  1.6258190000e+00 -3.9868200000e-01 -3.0814450000e+00  5.7154400000e-01  3.8603100000e-01  3.2634490000e+00 -1.5254620000e+00  8.8758300000e-01  2.7275290000e+00 -9.1107800000e-01  2.9027700000e-01  4.1077340000e+00 -1.0847290000e+00
-ENERGY -1.526542629625e+02
-FORCES  1.7785000000e-03 -2.8712000000e-03 -3.4583000000e-03 -1.7468000000e-03  3.4704000000e-03 -4.3810000000e-04 -3.7400000000e-05 -6.3750000000e-04  3.9252000000e-03  1.5750000000e-03  1.2985000000e-03  4.4521000000e-03 -1.9914000000e-03  2.1469000000e-03 -2.6377000000e-03  4.2210000000e-04 -3.4072000000e-03 -1.8432000000e-03
-
-JOB 83
-COORDS  9.0733800000e-01  1.0159060000e+00 -3.5906550000e+00  1.4441770000e+00  3.2871300000e-01 -3.1959370000e+00  1.5304300000e+00  1.7056300000e+00 -3.8192790000e+00 -9.9937600000e-01 -1.0641240000e+00  3.5495080000e+00 -6.5483000000e-02 -1.0102140000e+00  3.7524140000e+00 -1.3782890000e+00 -2.8372100000e-01  3.9540170000e+00
-ENERGY -1.526539724218e+02
-FORCES  4.6470000000e-03 -1.1110000000e-04  7.2260000000e-04 -2.1009000000e-03  2.8744000000e-03 -1.6555000000e-03 -2.5346000000e-03 -2.7816000000e-03  9.5220000000e-04  2.1513000000e-03  3.4856000000e-03  2.4170000000e-03 -3.7507000000e-03 -2.5300000000e-04 -8.4930000000e-04  1.5879000000e-03 -3.2142000000e-03 -1.5869000000e-03
-
-JOB 84
-COORDS  2.7558300000e+00 -2.1997050000e+00  1.5351490000e+00  2.4068480000e+00 -2.2544030000e+00  2.4247850000e+00  2.8264670000e+00 -3.1102910000e+00  1.2486600000e+00 -2.7663640000e+00  2.2189540000e+00 -1.6147330000e+00 -1.8465870000e+00  2.4783830000e+00 -1.5605340000e+00 -3.1723660000e+00  2.6114530000e+00 -8.4185600000e-01
-ENERGY -1.526541866811e+02
-FORCES -1.1755000000e-03 -4.0469000000e-03  2.3926000000e-03  1.4308000000e-03  2.8860000000e-04 -3.6039000000e-03 -2.4990000000e-04  3.7237000000e-03  1.2095000000e-03  2.2805000000e-03  2.5638000000e-03  3.3928000000e-03 -3.8639000000e-03 -9.4710000000e-04 -2.5520000000e-04  1.5780000000e-03 -1.5821000000e-03 -3.1358000000e-03
-
-JOB 85
-COORDS -1.2041610000e+00  1.7225450000e+00 -3.4250560000e+00 -9.7194300000e-01  2.3275000000e+00 -4.1295670000e+00 -1.8090270000e+00  1.1018330000e+00 -3.8313620000e+00  1.2621380000e+00 -1.7546320000e+00  3.5418780000e+00  6.6533600000e-01 -1.0140610000e+00  3.6496450000e+00  1.2526590000e+00 -1.9356890000e+00  2.6020060000e+00
-ENERGY -1.526543429100e+02
-FORCES -1.5322000000e-03  3.8900000000e-05 -4.6520000000e-03 -9.5720000000e-04 -2.4926000000e-03  2.8852000000e-03  2.4869000000e-03  2.4903000000e-03  1.7249000000e-03 -2.4746000000e-03  2.4166000000e-03 -3.5271000000e-03  2.4164000000e-03 -3.0630000000e-03 -3.2190000000e-04  6.0800000000e-05  6.0980000000e-04  3.8909000000e-03
-
-JOB 86
-COORDS  3.1192050000e+00  1.9933500000e+00  2.0011880000e+00  2.1797750000e+00  1.8271210000e+00  2.0791040000e+00  3.4862340000e+00  1.6903020000e+00  2.8316600000e+00 -3.0959880000e+00 -1.9274280000e+00 -2.0047660000e+00 -3.3799270000e+00 -2.8408800000e+00 -1.9699120000e+00 -2.6724110000e+00 -1.8401960000e+00 -2.8587020000e+00
-ENERGY -1.526542298941e+02
-FORCES -2.4655000000e-03 -1.9468000000e-03  3.6581000000e-03  3.9263000000e-03  7.2120000000e-04 -2.6070000000e-04 -1.4435000000e-03  1.2385000000e-03 -3.3668000000e-03  5.7900000000e-04 -3.3622000000e-03 -3.4329000000e-03  1.1580000000e-03  3.7232000000e-03 -1.0480000000e-04 -1.7543000000e-03 -3.7380000000e-04  3.5071000000e-03
-
-JOB 87
-COORDS -3.2331510000e+00  4.4690600000e-01 -3.9451550000e+00 -3.4811100000e+00  3.2739100000e-01 -3.0283870000e+00 -3.4648630000e+00 -3.8084400000e-01 -4.3663090000e+00  3.3092180000e+00 -4.0463200000e-01  3.8751830000e+00  3.3778230000e+00  2.2177200000e-01  4.5956990000e+00  2.4143490000e+00 -7.3949700000e-01  3.9326950000e+00
-ENERGY -1.526540095104e+02
-FORCES -1.9052000000e-03 -3.8769000000e-03  1.9954000000e-03  9.8870000000e-04  4.9270000000e-04 -3.7162000000e-03  9.2260000000e-04  3.3826000000e-03  1.7308000000e-03 -3.3383000000e-03  1.2315000000e-03  3.1616000000e-03 -2.9360000000e-04 -2.5743000000e-03 -2.9330000000e-03  3.6258000000e-03  1.3445000000e-03 -2.3860000000e-04
-
-JOB 88
-COORDS -3.9677370000e+00 -8.3024500000e-01  3.5172620000e+00 -3.1290280000e+00 -6.3326400000e-01  3.9343920000e+00 -4.6234820000e+00 -5.9263700000e-01  4.1728330000e+00  3.8984900000e+00  7.9049300000e-01 -3.5914060000e+00  4.2376290000e+00  7.4661800000e-01 -2.6973750000e+00  4.6246730000e+00  1.1419120000e+00 -4.1065710000e+00
-ENERGY -1.526539911666e+02
-FORCES  7.4800000000e-04  1.7830000000e-03  4.3329000000e-03 -3.4170000000e-03 -8.0740000000e-04 -1.6764000000e-03  2.6783000000e-03 -9.7320000000e-04 -2.6646000000e-03  4.3126000000e-03  1.2359000000e-03  1.5413000000e-03 -1.3646000000e-03  1.9110000000e-04 -3.6396000000e-03 -2.9574000000e-03 -1.4295000000e-03  2.1065000000e-03
-
-JOB 89
-COORDS -2.8454300000e+00  2.5444130000e+00  5.1421530000e+00 -3.1563990000e+00  3.0733300000e+00  5.8768490000e+00 -2.3178380000e+00  3.1475420000e+00  4.6185940000e+00  2.8189570000e+00 -2.5561720000e+00 -5.1575070000e+00  2.8722350000e+00 -3.0953130000e+00 -4.3683800000e+00  3.0536780000e+00 -3.1502890000e+00 -5.8703630000e+00
-ENERGY -1.526540958481e+02
-FORCES  8.8500000000e-04  4.6284000000e-03  8.2800000000e-04  1.2671000000e-03 -2.1628000000e-03 -2.9852000000e-03 -2.1529000000e-03 -2.4614000000e-03  2.1584000000e-03  1.1478000000e-03 -4.6346000000e-03  3.3200000000e-04 -1.9850000000e-04  2.2022000000e-03 -3.2321000000e-03 -9.4840000000e-04  2.4282000000e-03  2.8988000000e-03
-
-JOB 0
-COORDS  3.9774100000e-01  5.8474100000e-01  1.1637770000e+00 -1.2712100000e-01 -4.7280000000e-02  1.6550020000e+00  3.9872000000e-01  2.5031200000e-01  2.6690000000e-01 -3.3225600000e-01 -5.1126800000e-01 -1.0906070000e+00 -4.4959100000e-01 -1.4064440000e+00 -1.4086080000e+00 -8.5358300000e-01  2.5677000000e-02 -1.6873820000e+00
-ENERGY -1.526573766906e+02
-FORCES -7.2459000000e-03 -1.0720500000e-02 -1.4682400000e-02  1.4389000000e-03  1.3658000000e-03  9.0800000000e-05  2.5973000000e-03  4.3557000000e-03  2.8101000000e-03  1.8667000000e-03  4.1539000000e-03  8.3224000000e-03 -1.2300000000e-03  4.9284000000e-03  1.1061000000e-03  2.5731000000e-03 -4.0833000000e-03  2.3530000000e-03
-
-JOB 1
-COORDS  6.5282300000e-01  4.0414400000e-01  1.0837670000e+00  1.5327870000e+00  3.8269800000e-01  7.0768900000e-01  6.5949500000e-01 -2.8367200000e-01  1.7494220000e+00 -7.0327900000e-01 -3.6803600000e-01 -1.1695310000e+00  5.6387000000e-02 -2.0710300000e-01 -6.0985200000e-01 -1.4330050000e+00 -4.7362900000e-01 -5.5913600000e-01
-ENERGY -1.526554951729e+02
-FORCES  1.4060000000e-04 -2.9016000000e-03 -4.8550000000e-04 -7.7234000000e-03 -2.1620000000e-03 -1.5652000000e-03 -6.2600000000e-04  3.4198000000e-03 -4.3239000000e-03  3.7829000000e-03  5.4044000000e-03  1.6258600000e-02  4.1604000000e-03 -2.5089000000e-03 -7.1708000000e-03  2.6550000000e-04 -1.2518000000e-03 -2.7132000000e-03
-
-JOB 2
-COORDS -7.3377100000e-01 -9.2062400000e-01 -5.9914000000e-01 -8.2900400000e-01 -1.2758110000e+00  2.8460500000e-01 -1.5879220000e+00 -1.0612700000e+00 -1.0076450000e+00  7.7530600000e-01  9.3326000000e-01  6.2964500000e-01  2.8601400000e-01  7.0447300000e-01 -1.6059700000e-01  1.5064260000e+00  1.4643010000e+00  3.1390600000e-01
-ENERGY -1.526602753947e+02
-FORCES  1.8790000000e-04 -5.3180000000e-04  6.2133000000e-03 -1.5019000000e-03  8.1880000000e-04 -5.6016000000e-03  3.8920000000e-03  9.8360000000e-04  2.4868000000e-03 -4.3692000000e-03 -5.2912000000e-03 -7.0759000000e-03  5.0437000000e-03  6.3731000000e-03  4.6584000000e-03 -3.2524000000e-03 -2.3524000000e-03 -6.8110000000e-04
-
-JOB 3
-COORDS -3.2879000000e-02  9.8946900000e-01  8.4461100000e-01  6.9767000000e-01  1.2040610000e+00  1.4246810000e+00 -5.2112800000e-01  1.8084770000e+00  7.6052100000e-01  1.4130000000e-03 -1.0562430000e+00 -9.3433500000e-01 -6.4209000000e-02 -1.6507130000e+00 -1.8698500000e-01  3.9081500000e-01 -2.5960000000e-01 -5.7383900000e-01
-ENERGY -1.526574687667e+02
-FORCES -2.4394000000e-03  5.3220000000e-04 -1.9035000000e-03 -3.4685000000e-03 -2.1855000000e-03 -4.1142000000e-03  3.2451000000e-03 -3.7242000000e-03  1.3045000000e-03 -1.3374000000e-03  9.6570000000e-03  1.2440000000e-02  6.9810000000e-04  1.2950000000e-04 -2.5878000000e-03  3.3022000000e-03 -4.4091000000e-03 -5.1390000000e-03
-
-JOB 4
-COORDS -5.7434300000e-01  8.5423900000e-01 -9.3216000000e-01 -4.2533400000e-01  2.6738000000e-02 -4.7469900000e-01 -1.4111770000e+00  7.3313500000e-01 -1.3807970000e+00  5.7158900000e-01 -7.4372500000e-01  9.5102200000e-01  1.4245020000e+00 -9.7058900000e-01  1.3215670000e+00  4.3964700000e-01 -1.3780470000e+00  2.4642300000e-01
-ENERGY -1.526507042953e+02
-FORCES  2.0287000000e-03 -3.2344000000e-03  7.2533000000e-03 -1.1992000000e-03 -6.4344000000e-03 -5.6882000000e-03  3.7926000000e-03 -1.2985000000e-03  2.8709000000e-03  4.0430000000e-03  1.1947000000e-03 -3.2036000000e-03 -4.3091000000e-03  2.5700000000e-04 -1.3298000000e-03 -4.3559000000e-03  9.5156000000e-03  9.7400000000e-05
-
-JOB 5
-COORDS -9.2019000000e-01  7.2689300000e-01  8.2577900000e-01 -1.7906600000e-01  5.9998000000e-01  2.3344400000e-01 -1.5363510000e+00  3.2904000000e-02  5.9135100000e-01  8.8286600000e-01 -6.2536400000e-01 -7.6721900000e-01  9.0717700000e-01 -1.1868690000e+00 -1.5420430000e+00  1.4528820000e+00 -1.0635490000e+00 -1.3531100000e-01
-ENERGY -1.526592121110e+02
-FORCES  5.7603000000e-03 -8.5591000000e-03 -1.0036300000e-02 -1.3272000000e-03  4.1700000000e-03  5.7332000000e-03 -1.3200000000e-05  2.0320000000e-03  1.7417000000e-03 -1.6912000000e-03 -9.6990000000e-04  1.7610000000e-03  2.4870000000e-04  1.2198000000e-03  4.5720000000e-03 -2.9774000000e-03  2.1072000000e-03 -3.7717000000e-03
-
-JOB 6
-COORDS -1.1761810000e+00 -7.8443100000e-01 -1.6676500000e-01 -9.4280600000e-01  8.8048000000e-02  1.5032600000e-01 -7.5625300000e-01 -8.4829100000e-01 -1.0245610000e+00  1.1139230000e+00  6.9876300000e-01  2.4399600000e-01  1.4039880000e+00  1.6107220000e+00  2.6460800000e-01  1.2705790000e+00  4.1741700000e-01 -6.5741200000e-01
-ENERGY -1.526538048437e+02
-FORCES  1.0378900000e-02  7.7775000000e-03  1.3400000000e-03 -6.0269000000e-03 -2.5433000000e-03 -2.4070000000e-03  2.9610000000e-04  2.2620000000e-04  1.8980000000e-03  1.8049000000e-03 -2.0563000000e-03 -3.9353000000e-03 -3.2039000000e-03 -4.7975000000e-03 -2.2750000000e-04 -3.2492000000e-03  1.3934000000e-03  3.3318000000e-03
-
-JOB 7
-COORDS -3.6241000000e-02 -6.9627200000e-01  1.1503240000e+00  4.2280700000e-01 -1.4791980000e+00  8.4613000000e-01 -8.9605500000e-01 -1.0140740000e+00  1.4259210000e+00  2.7052000000e-02  7.7461500000e-01 -1.2146390000e+00 -2.0639700000e-01  1.1799300000e-01 -5.5845300000e-01  7.5035200000e-01  1.2617350000e+00 -8.1994600000e-01
-ENERGY -1.526592638580e+02
-FORCES -3.6340000000e-04 -2.0671000000e-03  4.0210000000e-04 -3.5223000000e-03  5.5132000000e-03 -3.4090000000e-04  4.6653000000e-03  1.6202000000e-03 -3.2165000000e-03  1.4053000000e-03 -4.5511000000e-03  1.4712700000e-02 -1.0138000000e-03  2.3080000000e-04 -9.0121000000e-03 -1.1711000000e-03 -7.4600000000e-04 -2.5453000000e-03
-
-JOB 8
-COORDS  7.7063300000e-01 -7.8467500000e-01 -8.5442800000e-01  1.3808580000e+00 -1.4924600000e+00 -6.4731000000e-01  2.8530000000e-03 -9.6316200000e-01 -3.1139200000e-01 -7.0034900000e-01  8.0230000000e-01  7.9912000000e-01 -1.3329290000e+00  1.1270570000e+00  1.5833300000e-01 -1.0982290000e+00  9.9507900000e-01  1.6480950000e+00
-ENERGY -1.526547775352e+02
-FORCES -3.7281000000e-03  2.3121000000e-03  8.3779000000e-03 -2.4367000000e-03  2.8554000000e-03  3.2990000000e-04  1.9433000000e-03 -3.6886000000e-03 -6.0426000000e-03 -8.7730000000e-04  3.2404000000e-03 -2.0980000000e-03  2.4948000000e-03 -3.2500000000e-03  3.5906000000e-03  2.6040000000e-03 -1.4693000000e-03 -4.1578000000e-03
-
-JOB 9
-COORDS -1.3065190000e+00 -3.9958600000e-01 -4.6187900000e-01 -3.8467900000e-01 -1.6412100000e-01 -3.5700500000e-01 -1.3872010000e+00 -1.2508820000e+00 -3.1742000000e-02  1.2121220000e+00  4.3334100000e-01  3.9390500000e-01  1.8909350000e+00 -2.3882000000e-01  4.5426700000e-01  1.4463600000e+00  1.0721180000e+00  1.0672010000e+00
-ENERGY -1.526597307023e+02
-FORCES  1.0894700000e-02  2.2030000000e-03  5.5884000000e-03 -6.6089000000e-03 -4.5281000000e-03 -4.4696000000e-03  7.9930000000e-04  2.2089000000e-03 -1.2346000000e-03 -1.9655000000e-03  1.0773000000e-03  2.7237000000e-03 -4.1809000000e-03  2.9228000000e-03  2.2250000000e-04  1.0613000000e-03 -3.8840000000e-03 -2.8305000000e-03
-
-JOB 10
-COORDS -1.4028810000e+00  2.8042000000e-02  4.7483000000e-02 -1.1947460000e+00 -1.7915500000e-01  9.5851500000e-01 -1.6643740000e+00  9.4867500000e-01  6.4456000000e-02  1.4225370000e+00 -1.3218000000e-01 -9.5244000000e-02  6.2989100000e-01  1.4674900000e-01 -5.5365500000e-01  1.8527910000e+00  6.8428900000e-01  1.5870700000e-01
-ENERGY -1.526580660805e+02
-FORCES  1.9058000000e-03 -8.3900000000e-05  6.9778000000e-03 -2.7403000000e-03  2.1727000000e-03 -4.2569000000e-03  3.7885000000e-03 -3.9100000000e-03 -7.5700000000e-04 -8.5825000000e-03  3.0543000000e-03 -2.1537000000e-03  8.6976000000e-03  1.3420000000e-03  5.0560000000e-04 -3.0690000000e-03 -2.5750000000e-03 -3.1580000000e-04
-
-JOB 11
-COORDS -5.6404700000e-01 -2.0937100000e-01 -1.2606430000e+00  2.7710500000e-01 -1.0004000000e-01 -1.7041990000e+00 -1.0111040000e+00  6.2795700000e-01 -1.3841480000e+00  5.9863200000e-01  1.2636700000e-01  1.2881960000e+00 -1.3625300000e-01  1.6025300000e-01  6.7580200000e-01  3.2531100000e-01  6.7717400000e-01  2.0217760000e+00
-ENERGY -1.526587422062e+02
-FORCES  5.6337000000e-03  2.2234000000e-03 -3.3039000000e-03 -5.1977000000e-03 -5.7400000000e-05  1.1704000000e-03  2.7901000000e-03 -3.8802000000e-03  4.1330000000e-03 -5.6169000000e-03 -1.7021000000e-03 -6.4033000000e-03  2.9094000000e-03  4.8693000000e-03  8.7391000000e-03 -5.1850000000e-04 -1.4530000000e-03 -4.3352000000e-03
-
-JOB 12
-COORDS -3.4466700000e-01  3.5591600000e-01 -1.2593860000e+00  4.1272300000e-01  3.7846000000e-01 -1.8442640000e+00 -1.0928820000e+00  5.3595200000e-01 -1.8285910000e+00  3.2751400000e-01 -3.5607000000e-01  1.3816860000e+00  1.2194240000e+00 -6.3223400000e-01  1.1708270000e+00 -1.1920000000e-01 -3.2115800000e-01  5.3583800000e-01
-ENERGY -1.526593828930e+02
-FORCES  1.2431000000e-03  9.2890000000e-04 -9.3030000000e-04 -3.9636000000e-03 -3.4580000000e-04  2.2822000000e-03  4.2916000000e-03 -5.7940000000e-04  1.9716000000e-03 -9.7040000000e-04  2.1071000000e-03 -1.1514400000e-02 -2.1777000000e-03  1.0061000000e-03  3.6680000000e-04  1.5771000000e-03 -3.1169000000e-03  7.8242000000e-03
-
-JOB 13
-COORDS  5.8776800000e-01 -1.0128140000e+00 -8.5864500000e-01  3.3363200000e-01 -6.7444600000e-01 -6.8000000000e-05 -1.3702800000e-01 -1.5825180000e+00 -1.1162130000e+00 -6.0247300000e-01  1.0325950000e+00  8.0703500000e-01 -2.4741400000e-01  6.2296700000e-01  1.5959390000e+00  1.6880800000e-01  1.3122490000e+00  3.1393100000e-01
-ENERGY -1.526548872418e+02
-FORCES -9.6072000000e-03  3.0167000000e-03  4.3077000000e-03  6.6975000000e-03 -6.4420000000e-04 -3.3290000000e-04  3.1297000000e-03  1.3129000000e-03  8.2580000000e-04  4.4091000000e-03  2.7664000000e-03 -1.3376000000e-03 -9.9740000000e-04 -1.9297000000e-03 -7.3290000000e-03 -3.6317000000e-03 -4.5221000000e-03  3.8660000000e-03
-
-JOB 14
-COORDS -1.2450370000e+00  5.0101900000e-01  6.2165100000e-01 -3.4519500000e-01  6.3331000000e-01  3.2329500000e-01 -1.2084140000e+00 -2.9770600000e-01  1.1478910000e+00  1.1136640000e+00 -4.6922700000e-01 -5.9771700000e-01  1.5236690000e+00  3.7031500000e-01 -8.0579800000e-01  1.7013180000e+00 -1.1235030000e+00 -9.7562900000e-01
-ENERGY -1.526550461159e+02
-FORCES  9.1543000000e-03 -8.6578000000e-03 -2.8112000000e-03 -5.3560000000e-04  6.3258000000e-03  3.9190000000e-04 -2.2846000000e-03  2.6908000000e-03 -1.4380000000e-04  9.3810000000e-04 -3.5480000000e-04 -2.2105000000e-03 -4.7731000000e-03 -3.3004000000e-03  3.2465000000e-03 -2.4991000000e-03  3.2964000000e-03  1.5271000000e-03
-
-JOB 15
-COORDS -1.0495110000e+00 -7.8086800000e-01 -5.6638600000e-01 -1.1854160000e+00 -1.1554710000e+00  3.0392100000e-01 -1.7002230000e+00 -8.1853000000e-02 -6.3107300000e-01  1.1121290000e+00  7.9937700000e-01  5.8245000000e-01  5.4613300000e-01  2.9875000000e-02  5.2123600000e-01  1.3590560000e+00  9.8829600000e-01 -3.2285000000e-01
-ENERGY -1.526569203793e+02
-FORCES -4.4783000000e-03  3.6501000000e-03  2.2274000000e-03  4.9228000000e-03  4.2893000000e-03 -3.4941000000e-03  3.1012000000e-03 -3.9420000000e-03  1.4080000000e-04 -6.0847000000e-03 -6.1120000000e-03 -9.4233000000e-03  2.1084000000e-03  8.3880000000e-04  7.2947000000e-03  4.3050000000e-04  1.2758000000e-03  3.2546000000e-03
-
-JOB 16
-COORDS -9.9570900000e-01 -3.0524200000e-01  9.0722700000e-01 -1.8366930000e+00  4.9708000000e-02  1.1953040000e+00 -9.7683000000e-01 -1.1945800000e+00  1.2607170000e+00  1.0832350000e+00  2.8385600000e-01 -9.5433300000e-01  5.3382900000e-01  4.9539300000e-01 -1.9959000000e-01  9.3656500000e-01  1.0042130000e+00 -1.5673630000e+00
-ENERGY -1.526592596025e+02
-FORCES -1.0859000000e-03 -3.8530000000e-03  1.1770000000e-04  3.6766000000e-03 -1.9007000000e-03 -1.5063000000e-03 -1.5446000000e-03  4.3583000000e-03 -5.9820000000e-04 -7.6854000000e-03  6.9160000000e-04  4.6326000000e-03  6.8927000000e-03  2.8355000000e-03 -5.0706000000e-03 -2.5340000000e-04 -2.1317000000e-03  2.4249000000e-03
-
-JOB 17
-COORDS -1.4285400000e-01 -7.0389000000e-01 -1.3346970000e+00 -1.0818460000e+00 -8.0701600000e-01 -1.1801350000e+00  1.4979600000e-01 -1.0779600000e-01 -6.4530600000e-01  1.9452300000e-01  6.2517900000e-01  1.2319610000e+00  3.1252000000e-02  4.6755800000e-01  2.1618700000e+00  1.4894100000e-01  1.5766850000e+00  1.1382090000e+00
-ENERGY -1.526594391280e+02
-FORCES -1.7846000000e-03  3.2941000000e-03  1.0343400000e-02  2.2661000000e-03 -1.5470000000e-04 -1.5225000000e-03  1.6100000000e-05  4.1800000000e-05 -8.2901000000e-03 -7.7380000000e-04 -2.4270000000e-04  3.8155000000e-03  4.0050000000e-04  2.4182000000e-03 -3.7998000000e-03 -1.2440000000e-04 -5.3568000000e-03 -5.4650000000e-04
-
-JOB 18
-COORDS  1.7421800000e-01 -3.7565700000e-01 -1.3415870000e+00  4.0307800000e-01 -1.2285730000e+00 -1.7108960000e+00  2.3926400000e-01  2.3061600000e-01 -2.0794450000e+00 -2.1491200000e-01  4.5419000000e-01  1.4133020000e+00  2.9290900000e-01  6.8659000000e-02  6.9935900000e-01 -3.2533800000e-01 -2.5928100000e-01  2.0417900000e+00
-ENERGY -1.526589985844e+02
-FORCES -7.4070000000e-04  9.8930000000e-04 -4.2077000000e-03 -1.0118000000e-03  4.0382000000e-03  2.0927000000e-03 -6.2300000000e-05 -3.8107000000e-03  2.6073000000e-03  1.1694000000e-03 -4.9016000000e-03 -6.9062000000e-03  7.9500000000e-05  1.8685000000e-03  9.0382000000e-03  5.6600000000e-04  1.8162000000e-03 -2.6242000000e-03
-
-JOB 19
-COORDS -4.3243400000e-01 -1.3841860000e+00  4.4945500000e-01  1.5415800000e-01 -8.2756200000e-01 -6.2708000000e-02 -1.2485300000e+00 -1.3969610000e+00 -5.0600000000e-02  4.7259200000e-01  1.3095440000e+00 -3.4245300000e-01 -2.9977200000e-01  1.1987490000e+00 -8.9689900000e-01  8.2864000000e-01  2.1615940000e+00 -5.9438800000e-01
-ENERGY -1.526555531834e+02
-FORCES  2.0501000000e-03  5.4596000000e-03 -2.6567000000e-03 -5.4750000000e-03 -5.2240000000e-03 -4.3460000000e-04  3.1379000000e-03  1.4375000000e-03  1.2446000000e-03 -1.5155000000e-03  4.3689000000e-03 -1.5536000000e-03  4.4972000000e-03 -2.4759000000e-03  2.1424000000e-03 -2.6946000000e-03 -3.5662000000e-03  1.2580000000e-03
-
-JOB 20
-COORDS -7.8967000000e-02  1.1185980000e+00 -1.0514530000e+00 -1.0542900000e-01  2.1050300000e-01 -7.4996400000e-01 -8.8755900000e-01  1.5062880000e+00 -7.1662800000e-01  7.0851000000e-02 -1.0984820000e+00  1.0013420000e+00  8.7950500000e-01 -1.5737460000e+00  8.1046700000e-01  3.4616300000e-01 -3.7046400000e-01  1.5584990000e+00
-ENERGY -1.526601151646e+02
-FORCES -4.1333000000e-03 -6.5633000000e-03  5.0364000000e-03  1.6596000000e-03  6.6761000000e-03 -5.4905000000e-03  3.1499000000e-03 -6.0640000000e-04 -6.5180000000e-04  5.2706000000e-03  1.2270000000e-03  4.2350000000e-03 -4.0916000000e-03  3.0387000000e-03 -1.1630000000e-04 -1.8551000000e-03 -3.7720000000e-03 -3.0128000000e-03
-
-JOB 21
-COORDS  4.0401100000e-01  1.3008000000e-02 -1.5295550000e+00  6.3352600000e-01 -8.2358400000e-01 -1.1249940000e+00  1.1412800000e-01  5.6081700000e-01 -8.0010000000e-01 -4.3391600000e-01 -2.9720000000e-02  1.4137770000e+00 -5.4356400000e-01  9.0147100000e-01  1.6063710000e+00  2.5762000000e-01 -3.1817800000e-01  2.0094290000e+00
-ENERGY -1.526571362491e+02
-FORCES -2.7796000000e-03 -3.0196000000e-03  1.0236100000e-02  1.2519000000e-03  1.4453000000e-03 -3.4457000000e-03  1.4720000000e-03  3.1457000000e-03 -5.0890000000e-03  1.7749000000e-03  1.5940000000e-03  4.9176000000e-03  1.4492000000e-03 -4.3339000000e-03 -3.2482000000e-03 -3.1684000000e-03  1.1685000000e-03 -3.3709000000e-03
-
-JOB 22
-COORDS -9.7632100000e-01 -1.0273090000e+00  5.9020300000e-01 -6.6272100000e-01 -4.5113500000e-01 -1.0687000000e-01 -1.5263460000e+00 -1.6694760000e+00  1.4151000000e-01  9.3999400000e-01  1.0162560000e+00 -4.8640900000e-01  1.2619710000e+00  4.3627400000e-01 -1.1764700000e+00  1.4413840000e+00  1.8239070000e+00 -5.9838700000e-01
-ENERGY -1.526567967039e+02
-FORCES  7.2580000000e-04  3.6496000000e-03 -3.4326000000e-03 -2.9945000000e-03 -7.4486000000e-03  3.9780000000e-04  2.8534000000e-03  2.8101000000e-03  1.0233000000e-03  4.8501000000e-03  2.9065000000e-03 -1.2298000000e-03 -4.1928000000e-03  2.0979000000e-03  3.1941000000e-03 -1.2420000000e-03 -4.0155000000e-03  4.7100000000e-05
-
-JOB 23
-COORDS  6.9221000000e-02  1.5009570000e+00  1.0792000000e-02  7.3016000000e-01  2.0898980000e+00  3.7485200000e-01  3.9722000000e-01  1.2819550000e+00 -8.6138200000e-01 -1.8922300000e-01 -1.5354780000e+00  3.0550000000e-03  5.2113600000e-01 -2.1372170000e+00  2.2561600000e-01  1.8013900000e-01 -6.6429400000e-01  1.4742000000e-01
-ENERGY -1.526586021632e+02
-FORCES  2.1306000000e-03  5.6729000000e-03 -2.8043000000e-03 -2.9016000000e-03 -3.3019000000e-03 -2.0574000000e-03 -5.8130000000e-04 -1.4907000000e-03  6.6609000000e-03  2.4926000000e-03  4.7755000000e-03  3.3501000000e-03 -2.1666000000e-03  3.0600000000e-03 -8.2760000000e-04  1.0263000000e-03 -8.7159000000e-03 -4.3217000000e-03
-
-JOB 24
-COORDS -2.5084800000e-01  1.5290470000e+00  2.2110500000e-01  5.5195700000e-01  2.0036750000e+00  4.3666200000e-01  5.1269000000e-02  6.7733400000e-01 -9.4400000000e-02  1.2966900000e-01 -1.5239240000e+00 -2.0283500000e-01  8.8687200000e-01 -1.4139610000e+00  3.7230200000e-01  4.6886500000e-01 -1.3531280000e+00 -1.0814740000e+00
-ENERGY -1.526560182126e+02
-FORCES  2.0866000000e-03 -5.3802000000e-03 -4.2450000000e-04 -2.5687000000e-03 -3.1987000000e-03 -8.6630000000e-04  2.7715000000e-03  8.2335000000e-03 -2.4540000000e-04  3.9857000000e-03 -4.3804000000e-03 -5.1970000000e-04 -4.2324000000e-03  2.2546000000e-03 -3.8518000000e-03 -2.0427000000e-03  2.4712000000e-03  5.9078000000e-03
-
-JOB 25
-COORDS -1.5988940000e+00  6.9918000000e-02 -1.1752600000e-01 -1.2573020000e+00 -8.1683200000e-01 -2.5420000000e-03 -8.2652800000e-01  6.0153600000e-01 -3.1004900000e-01  1.5270310000e+00 -1.0536000000e-02  8.0163000000e-02  1.4411600000e+00 -9.6323500000e-01  4.5204000000e-02  1.8789730000e+00  1.6685400000e-01  9.5246000000e-01
-ENERGY -1.526573870372e+02
-FORCES  9.1598000000e-03 -6.0810000000e-04 -2.4600000000e-05 -1.6766000000e-03  1.1476000000e-03 -1.9940000000e-04 -6.9893000000e-03 -4.2550000000e-04 -2.2240000000e-04  2.6363000000e-03 -3.3585000000e-03  4.3611000000e-03 -1.4896000000e-03  4.3644000000e-03  2.3570000000e-04 -1.6406000000e-03 -1.1198000000e-03 -4.1503000000e-03
-
-JOB 26
-COORDS  1.0611480000e+00 -2.4467400000e-01  1.1476890000e+00  3.3113400000e-01 -7.0736900000e-01  7.3632000000e-01  1.8350710000e+00 -5.4632800000e-01  6.7199900000e-01 -1.1000030000e+00  2.3782800000e-01 -1.0707050000e+00 -5.7962300000e-01  2.8988000000e-01 -1.8724080000e+00 -1.0186800000e+00  1.1056230000e+00 -6.7504100000e-01
-ENERGY -1.526584815594e+02
-FORCES -2.5939000000e-03 -3.4983000000e-03 -5.8323000000e-03  5.3805000000e-03  7.0800000000e-04  4.9240000000e-03 -2.6737000000e-03  1.4320000000e-03  1.4393000000e-03  3.1372000000e-03  6.0704000000e-03 -1.4195000000e-03 -1.8767000000e-03 -6.7860000000e-04  3.4840000000e-03 -1.3734000000e-03 -4.0335000000e-03 -2.5955000000e-03
-
-JOB 27
-COORDS -1.3175920000e+00  7.4480600000e-01  3.6008800000e-01 -3.8295500000e-01  9.4556700000e-01  4.0888600000e-01 -1.6720310000e+00  1.0474420000e+00  1.1961600000e+00  1.3098370000e+00 -7.2756700000e-01 -4.4992000000e-01  3.8507200000e-01 -9.7462300000e-01 -4.4774700000e-01  1.7266310000e+00 -1.3526530000e+00  1.4319300000e-01
-ENERGY -1.526597129584e+02
-FORCES  3.1497000000e-03  3.6305000000e-03  3.3789000000e-03 -7.0499000000e-03 -1.7147000000e-03  3.6490000000e-04  1.9722000000e-03 -1.1194000000e-03 -3.1647000000e-03 -2.8470000000e-03 -5.6054000000e-03  1.1859000000e-03  6.6721000000e-03  2.1062000000e-03  4.2730000000e-04 -1.8972000000e-03  2.7027000000e-03 -2.1924000000e-03
-
-JOB 28
-COORDS  9.4533500000e-01 -5.3683400000e-01 -1.0795800000e+00  7.9173100000e-01  3.3574600000e-01 -1.4418530000e+00  6.5384700000e-01 -1.1365290000e+00 -1.7663350000e+00 -9.0908300000e-01  5.4809600000e-01  1.0927920000e+00 -3.3740600000e-01 -1.0763100000e-01  1.4920910000e+00 -1.6468390000e+00  6.2373800000e-01  1.6979580000e+00
-ENERGY -1.526558569528e+02
-FORCES -4.4054000000e-03  3.0895000000e-03 -3.4026000000e-03  2.3276000000e-03 -4.0152000000e-03 -2.2100000000e-04  1.2545000000e-03  2.1453000000e-03  2.6251000000e-03  1.7507000000e-03 -4.1090000000e-03  2.8663000000e-03 -3.8648000000e-03  3.6709000000e-03  1.1641000000e-03  2.9375000000e-03 -7.8150000000e-04 -3.0318000000e-03
-
-JOB 29
-COORDS  1.7041400000e-01 -7.0810400000e-01 -1.3196120000e+00 -4.8410500000e-01 -4.4033600000e-01 -1.9646990000e+00  1.0087620000e+00 -5.9707000000e-01 -1.7680270000e+00 -2.2252600000e-01  6.5470500000e-01  1.4262840000e+00  2.4023200000e-01  1.4774880000e+00  1.5847610000e+00  5.6803000000e-02  3.8704600000e-01  5.5074600000e-01
-ENERGY -1.526604310220e+02
-FORCES -3.5050000000e-04 -1.0578000000e-03 -6.7470000000e-03  3.8920000000e-03 -1.0093000000e-03  2.8362000000e-03 -4.2209000000e-03  4.2350000000e-04  2.5687000000e-03  2.6315000000e-03 -1.2299000000e-03 -6.2157000000e-03 -1.2735000000e-03 -2.9404000000e-03 -1.3143000000e-03 -6.7860000000e-04  5.8139000000e-03  8.8721000000e-03
-
-JOB 30
-COORDS -1.1502760000e+00 -9.7315500000e-01 -2.3058300000e-01 -1.9630950000e+00 -4.7046200000e-01 -2.8402400000e-01 -1.2983230000e+00 -1.5936370000e+00  4.8308000000e-01  1.2365620000e+00  1.0360660000e+00  1.9445000000e-01  1.4250780000e+00  2.5439200000e-01 -3.2485700000e-01  4.7816900000e-01  7.9396000000e-01  7.2591700000e-01
-ENERGY -1.526578109331e+02
-FORCES -5.5043000000e-03 -1.2172000000e-03  4.4060000000e-04  3.9785000000e-03 -2.3018000000e-03  1.2211000000e-03  1.4608000000e-03  3.8422000000e-03 -2.7654000000e-03 -6.0581000000e-03 -7.5840000000e-03 -1.8987000000e-03  2.5825000000e-03  3.5116000000e-03  1.7139000000e-03  3.5406000000e-03  3.7491000000e-03  1.2884000000e-03
-
-JOB 31
-COORDS  7.3742600000e-01 -6.5821700000e-01 -1.1360230000e+00  1.5451690000e+00 -1.7461900000e-01 -9.6305800000e-01  9.9264200000e-01 -1.3354540000e+00 -1.7624780000e+00 -8.1683500000e-01  6.2397500000e-01  1.2134240000e+00 -8.2257600000e-01  5.2885800000e-01  2.6097900000e-01 -5.8019400000e-01  1.5395250000e+00  1.3617510000e+00
-ENERGY -1.526574598603e+02
-FORCES  5.1076000000e-03 -2.2810000000e-03 -8.1570000000e-04 -3.7476000000e-03 -1.4752000000e-03 -1.7982000000e-03 -4.0710000000e-04  2.9732000000e-03  2.9019000000e-03  1.2599000000e-03  4.3340000000e-04 -5.6365000000e-03 -2.2388000000e-03  3.9365000000e-03  6.1853000000e-03  2.6000000000e-05 -3.5868000000e-03 -8.3680000000e-04
-
-JOB 32
-COORDS -6.3279000000e-02 -2.5422200000e-01  1.5762580000e+00 -2.2603300000e-01 -2.6350300000e-01  6.3304200000e-01 -9.3044600000e-01 -1.5196500000e-01  1.9684290000e+00  6.6914000000e-02  2.8142900000e-01 -1.5343410000e+00  2.9074000000e-01 -2.9899900000e-01 -2.2618280000e+00  8.4993800000e-01  2.8918100000e-01 -9.8384600000e-01
-ENERGY -1.526586329177e+02
-FORCES -6.2045000000e-03  7.2550000000e-04 -3.9249000000e-03  5.5963000000e-03  3.9950000000e-04  6.3046000000e-03  3.1364000000e-03 -6.8860000000e-04 -1.1029000000e-03  5.5132000000e-03 -1.0329000000e-03 -4.3311000000e-03 -7.0650000000e-04  2.9980000000e-03  3.3306000000e-03 -7.3350000000e-03 -2.4016000000e-03 -2.7630000000e-04
-
-JOB 33
-COORDS  3.2868400000e-01  1.4946230000e+00 -2.8466100000e-01  7.4241300000e-01  1.6739970000e+00  5.5966500000e-01 -4.8015900000e-01  2.0062500000e+00 -2.6908200000e-01 -2.4493200000e-01 -1.5324280000e+00  2.5213800000e-01 -9.8282600000e-01 -1.5195370000e+00  8.6171100000e-01 -6.4676700000e-01 -1.4514120000e+00 -6.1284600000e-01
-ENERGY -1.526523080802e+02
-FORCES -4.9460000000e-04 -1.5300000000e-05  5.2804000000e-03 -1.7753000000e-03  8.0200000000e-04 -3.4802000000e-03  2.6682000000e-03 -2.9700000000e-03 -3.0610000000e-04 -3.7025000000e-03  4.4246000000e-03 -2.9776000000e-03  2.8768000000e-03  1.7140000000e-04 -1.9161000000e-03  4.2750000000e-04 -2.4127000000e-03  3.3997000000e-03
-
-JOB 34
-COORDS  6.5759100000e-01  1.3270420000e+00  7.8932100000e-01 -2.4080800000e-01  1.1701130000e+00  4.9865900000e-01  1.0417970000e+00  4.5349800000e-01  8.6373800000e-01 -5.6790800000e-01 -1.3112240000e+00 -7.6026800000e-01 -1.4708480000e+00 -1.5199300000e+00 -5.2074200000e-01 -6.3094100000e-01 -4.8219000000e-01 -1.2345690000e+00
-ENERGY -1.526561168761e+02
-FORCES -2.1784000000e-03 -7.3461000000e-03 -1.4010000000e-04  2.2284000000e-03  2.1861000000e-03 -9.6710000000e-04  7.2900000000e-05  5.4050000000e-03  5.0630000000e-04 -4.2035000000e-03  6.8760000000e-04 -3.1718000000e-03  4.2782000000e-03  1.9264000000e-03 -6.8710000000e-04 -1.9750000000e-04 -2.8589000000e-03  4.4598000000e-03
-
-JOB 35
-COORDS  1.3115570000e+00 -6.5621700000e-01  5.6139400000e-01  2.0942520000e+00 -5.1339200000e-01  1.0935790000e+00  8.2749400000e-01 -1.3395410000e+00  1.0250560000e+00 -1.3268640000e+00  7.5062100000e-01 -6.3329300000e-01 -5.6003200000e-01  2.2343800000e-01 -4.0906300000e-01 -2.0637000000e+00  1.4340800000e-01 -5.6550200000e-01
-ENERGY -1.526585819278e+02
-FORCES  4.3899000000e-03 -9.7430000000e-04  5.3718000000e-03 -3.2801000000e-03 -1.9707000000e-03 -1.8079000000e-03  8.7400000000e-04  3.8278000000e-03 -3.1038000000e-03  3.6131000000e-03 -4.0937000000e-03  1.5249000000e-03 -8.6449000000e-03  1.5177000000e-03 -2.3054000000e-03  3.0481000000e-03  1.6933000000e-03  3.2030000000e-04
-
-JOB 36
-COORDS -1.3837300000e-01  3.9571100000e-01 -1.6207160000e+00 -3.4233400000e-01  1.2240960000e+00 -1.1866540000e+00  5.4935600000e-01  5.1920000000e-03 -1.0814990000e+00  1.4765700000e-01 -4.3144800000e-01  1.6213460000e+00 -2.3259000000e-02 -1.0613670000e+00  9.2118800000e-01 -3.0933900000e-01  3.6326800000e-01  1.3460040000e+00
-ENERGY -1.526545730341e+02
-FORCES  3.8599000000e-03  3.2353000000e-03  2.9217000000e-03 -2.2500000000e-05 -4.2183000000e-03 -5.9240000000e-04 -5.1491000000e-03 -1.1300000000e-05 -1.8123000000e-03 -5.5045000000e-03 -3.5780000000e-04 -3.1760000000e-03  3.3947000000e-03  3.3876000000e-03  2.2330000000e-03  3.4215000000e-03 -2.0355000000e-03  4.2600000000e-04
-
-JOB 37
-COORDS -5.7233500000e-01  1.4744160000e+00 -5.1924000000e-02 -1.2288660000e+00  1.7177730000e+00 -7.0459300000e-01 -3.5820700000e-01  2.2956000000e+00  3.9083600000e-01  6.4440600000e-01 -1.5327910000e+00  6.4417000000e-02  5.4893000000e-02 -2.2832890000e+00  1.3830000000e-01  6.4311000000e-02 -7.8530800000e-01 -8.0466000000e-02
-ENERGY -1.526593330373e+02
-FORCES -4.3050000000e-04  6.6335000000e-03  4.1640000000e-04  2.8089000000e-03 -1.5613000000e-03  3.0501000000e-03 -1.9419000000e-03 -2.6794000000e-03 -2.6114000000e-03 -4.6822000000e-03  3.4014000000e-03  2.3770000000e-04  1.8034000000e-03  2.8948000000e-03 -4.5020000000e-04  2.4424000000e-03 -8.6890000000e-03 -6.4260000000e-04
-
-JOB 38
-COORDS -4.6250000000e-01  1.5123470000e+00  6.5006600000e-01 -1.1640570000e+00  2.0733160000e+00  3.1936400000e-01 -1.3423400000e-01  1.0564900000e+00 -1.2496100000e-01  5.2629200000e-01 -1.4708740000e+00 -6.0225500000e-01  8.1308400000e-01 -2.3673670000e+00 -4.2823400000e-01 -4.2833800000e-01 -1.5085540000e+00 -5.4315300000e-01
-ENERGY -1.526566026861e+02
-FORCES  9.2690000000e-04  2.1920000000e-04 -4.5033000000e-03  2.5676000000e-03 -2.8889000000e-03  1.2041000000e-03 -4.4523000000e-03  3.6694000000e-03  3.2609000000e-03 -1.7283000000e-03 -5.5890000000e-03  2.4772000000e-03 -1.6765000000e-03  3.2944000000e-03 -9.8560000000e-04  4.3626000000e-03  1.2949000000e-03 -1.4533000000e-03
-
-JOB 39
-COORDS -4.5389000000e-02  9.9514900000e-01  1.4050820000e+00  2.3641100000e-01  6.9830900000e-01  5.3980400000e-01 -2.9492000000e-01  1.9101090000e+00  1.2754140000e+00  2.5392000000e-02 -9.8094100000e-01 -1.4092770000e+00 -5.6873200000e-01 -1.4116190000e+00 -7.9465300000e-01  8.9681800000e-01 -1.2812820000e+00 -1.1511220000e+00
-ENERGY -1.526584323500e+02
-FORCES -1.7230000000e-04  2.6514000000e-03 -5.7480000000e-03 -4.5400000000e-05  1.5695000000e-03  7.0963000000e-03  9.9960000000e-04 -3.4125000000e-03  6.6820000000e-04 -1.1310000000e-04 -6.6163000000e-03  1.2315000000e-03  3.5039000000e-03  2.7835000000e-03 -2.9531000000e-03 -4.1728000000e-03  3.0244000000e-03 -2.9490000000e-04
-
-JOB 40
-COORDS -9.6610300000e-01 -2.7017500000e-01 -1.4045210000e+00 -1.6791730000e+00 -8.9696400000e-01 -1.2824600000e+00 -1.0515090000e+00  3.3667700000e-01 -6.6921900000e-01  9.4834600000e-01  2.8335400000e-01  1.3316130000e+00  1.2397530000e+00 -4.7693900000e-01  1.8348700000e+00  1.7389510000e+00  8.0963800000e-01  1.2124430000e+00
-ENERGY -1.526561299576e+02
-FORCES -1.2910000000e-03  4.4340000000e-04  5.8690000000e-03  2.6772000000e-03  2.0685000000e-03 -5.0960000000e-04 -2.3880000000e-03 -1.6894000000e-03 -5.4027000000e-03  5.4002000000e-03 -2.1687000000e-03  6.6140000000e-04 -1.0626000000e-03  3.3634000000e-03 -1.5172000000e-03 -3.3359000000e-03 -2.0172000000e-03  8.9920000000e-04
-
-JOB 41
-COORDS -1.0182690000e+00 -7.4167700000e-01 -1.2217910000e+00 -4.4945900000e-01 -2.1290000000e-03 -1.0078870000e+00 -6.3073400000e-01 -1.1224160000e+00 -2.0098810000e+00  9.5885600000e-01  7.6852700000e-01  1.2073410000e+00  7.9567400000e-01  9.2236500000e-01  2.1378990000e+00  1.2050690000e+00 -1.5505900000e-01  1.1563440000e+00
-ENERGY -1.526576865680e+02
-FORCES  3.2141000000e-03  3.3844000000e-03 -1.7833000000e-03 -2.7180000000e-03 -5.4529000000e-03 -3.2724000000e-03 -1.1024000000e-03  1.3297000000e-03  3.4909000000e-03 -4.7700000000e-05 -3.1140000000e-03  5.7430000000e-03  1.3273000000e-03 -8.0270000000e-04 -3.5987000000e-03 -6.7330000000e-04  4.6554000000e-03 -5.7950000000e-04
-
-JOB 42
-COORDS -9.3630500000e-01  9.7745700000e-01  1.0642120000e+00 -1.1756880000e+00  8.3558700000e-01  1.9800730000e+00 -1.6337080000e+00  5.5216200000e-01  5.6522900000e-01  9.8331900000e-01 -1.0025870000e+00 -1.1304720000e+00  5.1808000000e-01 -8.7164400000e-01 -3.0425200000e-01  1.5407800000e+00 -2.2931100000e-01 -1.2171530000e+00
-ENERGY -1.526579068537e+02
-FORCES -5.8961000000e-03  2.4080000000e-04  2.6702000000e-03  1.1227000000e-03  2.7900000000e-04 -4.3170000000e-03  4.3249000000e-03  9.2220000000e-04  2.6408000000e-03  3.8060000000e-04  5.5636000000e-03  4.5045000000e-03  1.4474000000e-03 -3.5398000000e-03 -4.8722000000e-03 -1.3796000000e-03 -3.4657000000e-03 -6.2630000000e-04
-
-JOB 43
-COORDS -3.3735000000e-02 -1.4194160000e+00 -9.5206700000e-01  8.6532900000e-01 -1.7478360000e+00 -9.4460000000e-01 -2.6339600000e-01 -1.3697630000e+00 -1.8799800000e+00 -2.0470000000e-03  1.4028730000e+00  9.4918200000e-01  5.0449900000e-01  2.1576560000e+00  1.2490880000e+00 -5.9344800000e-01  1.2067040000e+00  1.6758140000e+00
-ENERGY -1.526524982460e+02
-FORCES  3.4066000000e-03  7.8770000000e-04 -3.2893000000e-03 -3.6551000000e-03  5.9860000000e-04 -1.8230000000e-04  7.4560000000e-04 -5.1430000000e-04  3.6706000000e-03 -1.3073000000e-03  1.1094000000e-03  4.2871000000e-03 -1.7658000000e-03 -3.4653000000e-03 -1.7870000000e-03  2.5760000000e-03  1.4838000000e-03 -2.6991000000e-03
-
-JOB 44
-COORDS -2.8599700000e-01  1.8049040000e+00  1.5792000000e-02  4.6036600000e-01  1.6410410000e+00 -5.6068300000e-01 -3.4951200000e-01  1.0172250000e+00  5.5594000000e-01  2.0912100000e-01 -1.7110720000e+00  3.5950000000e-02  1.0653570000e+00 -1.5263510000e+00 -3.5001700000e-01 -7.3568000000e-02 -2.5231180000e+00 -3.8464500000e-01
-ENERGY -1.526564936906e+02
-FORCES  1.7890000000e-03 -6.1351000000e-03 -7.7100000000e-05 -2.0107000000e-03  1.0278000000e-03  1.8853000000e-03  7.4810000000e-04  6.0824000000e-03 -1.4165000000e-03  1.5690000000e-03 -4.7539000000e-03 -3.8547000000e-03 -3.8982000000e-03  5.0760000000e-04  1.7341000000e-03  1.8028000000e-03  3.2712000000e-03  1.7288000000e-03
-
-JOB 45
-COORDS  5.7389200000e-01 -1.6416190000e+00 -2.4419200000e-01  1.2504960000e+00 -1.1470930000e+00  2.1828300000e-01  6.7989300000e-01 -2.5410230000e+00  6.5755000000e-02 -6.6887800000e-01  1.7149530000e+00  2.0835000000e-01 -1.1606000000e-02  1.3618960000e+00  8.0799600000e-01 -5.0483500000e-01  1.2641550000e+00 -6.1996300000e-01
-ENERGY -1.526547014900e+02
-FORCES  3.0604000000e-03 -3.8025000000e-03  3.2743000000e-03 -3.6919000000e-03 -4.6650000000e-04 -1.9354000000e-03 -1.5990000000e-04  3.9417000000e-03 -1.2559000000e-03  2.2847000000e-03 -5.3316000000e-03 -1.5123000000e-03 -1.3265000000e-03  1.8165000000e-03 -1.9282000000e-03 -1.6680000000e-04  3.8425000000e-03  3.3576000000e-03
-
-JOB 46
-COORDS -1.1306270000e+00  1.4969910000e+00  3.8286000000e-02 -5.9816800000e-01  7.0173000000e-01  2.1610000000e-02 -7.3306800000e-01  2.0658520000e+00 -6.2093700000e-01  1.0704570000e+00 -1.4310360000e+00 -3.7318000000e-02  8.9600200000e-01 -1.4751080000e+00  9.0281800000e-01  1.3508010000e+00 -2.3158950000e+00 -2.7112100000e-01
-ENERGY -1.526577853782e+02
-FORCES  4.6809000000e-03 -2.0982000000e-03 -3.8485000000e-03 -3.8059000000e-03  5.1062000000e-03  2.2938000000e-03 -1.8737000000e-03 -1.5639000000e-03  2.5203000000e-03  1.8275000000e-03 -6.1417000000e-03  2.2009000000e-03 -4.1400000000e-05  1.0995000000e-03 -4.7470000000e-03 -7.8730000000e-04  3.5982000000e-03  1.5806000000e-03
-
-JOB 47
-COORDS  1.6435250000e+00  6.0148700000e-01  3.6894100000e-01  1.8423910000e+00  2.4672500000e-01  1.2354440000e+00  2.4659380000e+00  9.9375100000e-01  7.5688000000e-02 -1.7449510000e+00 -5.8532700000e-01 -3.5787700000e-01 -1.6896660000e+00 -1.6031300000e-01 -1.2137620000e+00 -1.0950280000e+00 -1.2870260000e+00 -3.9594800000e-01
-ENERGY -1.526545373915e+02
-FORCES  3.9306000000e-03  8.6190000000e-04  3.4395000000e-03 -4.0510000000e-04  1.0921000000e-03 -3.9448000000e-03 -3.6947000000e-03 -1.6886000000e-03  9.7730000000e-04  5.3068000000e-03  3.5320000000e-04 -3.4581000000e-03 -1.3822000000e-03 -2.0421000000e-03  2.7336000000e-03 -3.7553000000e-03  1.4235000000e-03  2.5240000000e-04
-
-JOB 48
-COORDS  1.6377430000e+00 -8.0226300000e-01  1.4228400000e-01  1.8124980000e+00  7.8658000000e-02  4.7345000000e-01  2.4585000000e+00 -1.0705790000e+00 -2.7074800000e-01 -1.6547020000e+00  7.0879000000e-01 -1.1741100000e-01 -2.5593620000e+00  9.2370500000e-01  1.0981700000e-01 -1.3675710000e+00  1.4345030000e+00 -6.7160200000e-01
-ENERGY -1.526527928801e+02
-FORCES  3.2111000000e-03  2.7753000000e-03  2.7480000000e-04  1.8190000000e-04 -3.4880000000e-03 -1.7157000000e-03 -3.6541000000e-03  1.0756000000e-03  1.5439000000e-03 -2.6825000000e-03  3.2907000000e-03 -1.9021000000e-03  3.9089000000e-03 -1.0533000000e-03 -9.2490000000e-04 -9.6530000000e-04 -2.6003000000e-03  2.7240000000e-03
-
-JOB 49
-COORDS  1.5151810000e+00  1.2189420000e+00 -4.1452000000e-02  1.4462480000e+00  1.6540350000e+00  8.0835600000e-01  9.8476200000e-01  4.2746000000e-01  5.0438000000e-02 -1.4729670000e+00 -1.1803110000e+00 -7.4047000000e-02 -2.2783600000e+00 -1.3188620000e+00  4.2432800000e-01 -7.7077500000e-01 -1.3936280000e+00  5.4048900000e-01
-ENERGY -1.526537344811e+02
-FORCES -3.8500000000e-03 -9.8430000000e-04  2.7466000000e-03  4.7480000000e-04 -2.0216000000e-03 -3.2503000000e-03  3.8821000000e-03  2.0636000000e-03  1.3969000000e-03 -2.6505000000e-03 -2.6703000000e-03  4.5220000000e-03  3.6022000000e-03  3.9940000000e-04 -2.2055000000e-03 -1.4587000000e-03  3.2131000000e-03 -3.2099000000e-03
-
-JOB 50
-COORDS  1.4876520000e+00 -1.1454640000e+00  1.5545300000e-01  7.8288100000e-01 -1.3627750000e+00  7.6562200000e-01  2.1341650000e+00 -1.8405870000e+00  2.7815700000e-01 -1.4679400000e+00  1.2597810000e+00 -1.6787400000e-01 -1.5172990000e+00  1.0354650000e+00 -1.0971090000e+00 -1.6403140000e+00  4.3564000000e-01  2.8743900000e-01
-ENERGY -1.526532319971e+02
-FORCES  5.2540000000e-04 -3.3503000000e-03  3.6310000000e-03  1.9084000000e-03  6.0780000000e-04 -2.9656000000e-03 -2.7849000000e-03  3.0604000000e-03 -6.3680000000e-04  3.9370000000e-04 -4.3776000000e-03 -2.8584000000e-03 -7.6420000000e-04  1.2349000000e-03  3.8387000000e-03  7.2170000000e-04  2.8248000000e-03 -1.0089000000e-03
-
-JOB 51
-COORDS -1.8345040000e+00  1.8112500000e-01  2.7828800000e-01 -2.3794620000e+00 -1.5126400000e-01 -4.3499300000e-01 -2.3297120000e+00 -1.9923000000e-02  1.0723790000e+00  1.9229220000e+00 -1.9147100000e-01 -2.3719200000e-01  2.2537660000e+00  3.9164000000e-01 -9.2038700000e-01  9.7213600000e-01 -1.7394000000e-01 -3.4642100000e-01
-ENERGY -1.526574359721e+02
-FORCES -5.9062000000e-03 -1.9408000000e-03  1.9205000000e-03  2.8522000000e-03  1.3888000000e-03  2.8759000000e-03  1.4843000000e-03  8.8020000000e-04 -3.7701000000e-03 -4.1510000000e-03  2.8572000000e-03 -2.2305000000e-03 -1.0950000000e-03 -2.3038000000e-03  2.3724000000e-03  6.8155000000e-03 -8.8170000000e-04 -1.1683000000e-03
-
-JOB 52
-COORDS  6.9646200000e-01 -8.9735100000e-01  1.5899580000e+00  1.5561880000e+00 -5.1715100000e-01  1.7703720000e+00  4.8235800000e-01 -5.9809500000e-01  7.0630800000e-01 -7.3161200000e-01  7.9601000000e-01 -1.5492490000e+00 -4.1448000000e-02  1.4280240000e+00 -1.3480920000e+00 -1.4996750000e+00  1.3331490000e+00 -1.7436520000e+00
-ENERGY -1.526561213821e+02
-FORCES  1.3914000000e-03  2.1655000000e-03 -3.8396000000e-03 -3.4081000000e-03 -1.0771000000e-03 -8.8820000000e-04  3.2071000000e-03 -1.1567000000e-03  5.5735000000e-03 -2.4183000000e-03  5.8334000000e-03 -1.4154000000e-03 -2.3955000000e-03 -3.8208000000e-03  1.9820000000e-04  3.6233000000e-03 -1.9444000000e-03  3.7150000000e-04
-
-JOB 53
-COORDS  1.6371280000e+00  2.2765100000e-01  1.1150630000e+00  1.5152590000e+00  4.1935200000e-01  2.0449180000e+00  1.0528940000e+00 -5.1095900000e-01  9.4372100000e-01 -1.5900780000e+00 -2.1536400000e-01 -1.2202240000e+00 -1.5362820000e+00  6.5933300000e-01 -8.3520100000e-01 -1.7973620000e+00 -7.8971600000e-01 -4.8307700000e-01
-ENERGY -1.526541878287e+02
-FORCES -1.8876000000e-03 -2.8960000000e-03  2.5601000000e-03  1.1800000000e-05 -6.8400000000e-04 -4.0947000000e-03  1.9551000000e-03  3.3425000000e-03  1.8511000000e-03 -1.0429000000e-03  2.3606000000e-03  3.8003000000e-03 -9.2210000000e-04 -4.2123000000e-03 -1.5168000000e-03  1.8856000000e-03  2.0892000000e-03 -2.5999000000e-03
-
-JOB 54
-COORDS -1.6101000000e+00 -4.2580200000e-01 -1.3890410000e+00 -8.5424500000e-01 -8.4717500000e-01 -1.7981370000e+00 -1.3987310000e+00 -4.0769100000e-01 -4.5564500000e-01  1.5657900000e+00  4.8888000000e-01  1.4053890000e+00  1.6599500000e+00  6.5813900000e-01  4.6799000000e-01  1.3253020000e+00 -4.3604800000e-01  1.4592820000e+00
-ENERGY -1.526536315774e+02
-FORCES  2.9577000000e-03 -1.4946000000e-03  2.1791000000e-03 -2.6431000000e-03  2.0071000000e-03  2.1568000000e-03 -3.0620000000e-04 -7.1340000000e-04 -4.4546000000e-03  8.7960000000e-04 -2.4791000000e-03 -3.0970000000e-03 -9.4100000000e-04 -1.3996000000e-03  4.0780000000e-03  5.3000000000e-05  4.0797000000e-03 -8.6230000000e-04
-
-JOB 55
-COORDS -5.4896600000e-01 -8.1566900000e-01 -1.8397790000e+00  9.8055000000e-02 -1.0190550000e+00 -2.5152270000e+00 -1.2615710000e+00 -1.4354440000e+00 -1.9956780000e+00  5.2612100000e-01  9.2911800000e-01  1.8890440000e+00  1.9549900000e-01  1.5388700000e-01  1.4352410000e+00  1.2672040000e+00  6.0848200000e-01  2.4030670000e+00
-ENERGY -1.526553705888e+02
-FORCES -3.8180000000e-04 -2.9048000000e-03 -4.6502000000e-03 -2.8022000000e-03  5.5760000000e-04  2.8717000000e-03  3.1406000000e-03  2.4878000000e-03  9.4380000000e-04  1.2108000000e-03 -4.6530000000e-03 -1.0999000000e-03  1.6443000000e-03  3.2238000000e-03  3.8658000000e-03 -2.8116000000e-03  1.2885000000e-03 -1.9311000000e-03
-
-JOB 56
-COORDS  1.7249830000e+00  1.3573070000e+00  1.4928500000e-01  8.3214600000e-01  1.6305000000e+00 -6.1525000000e-02  1.9781880000e+00  7.8504300000e-01 -5.7503000000e-01 -1.6835540000e+00 -1.2723950000e+00 -9.6799000000e-02 -9.9077900000e-01 -1.9242600000e+00  9.8190000000e-03 -2.4832070000e+00 -1.7874100000e+00 -2.0425500000e-01
-ENERGY -1.526552961699e+02
-FORCES -3.6857000000e-03 -1.2160000000e-03 -3.8111000000e-03  4.5273000000e-03 -3.5980000000e-04  7.7450000000e-04 -5.1880000000e-04  2.0112000000e-03  2.9766000000e-03 -7.9350000000e-04 -5.1970000000e-03  6.5270000000e-04 -2.9020000000e-03  2.7004000000e-03 -1.0065000000e-03  3.3726000000e-03  2.0612000000e-03  4.1390000000e-04
-
-JOB 57
-COORDS -5.9910100000e-01 -1.1603590000e+00  1.6577560000e+00 -3.0929000000e-01 -1.5087300000e+00  2.5008930000e+00 -1.2557680000e+00 -1.7862800000e+00  1.3523980000e+00  6.5922700000e-01  1.2136700000e+00 -1.6399410000e+00 -2.1379800000e-01  8.2202000000e-01 -1.6658410000e+00  7.6692600000e-01  1.6170930000e+00 -2.5012670000e+00
-ENERGY -1.526535885125e+02
-FORCES -7.1250000000e-04 -4.0060000000e-03  2.7433000000e-03 -1.4320000000e-03  1.2995000000e-03 -3.4160000000e-03  2.5514000000e-03  2.8757000000e-03  8.1780000000e-04 -3.5167000000e-03 -3.8190000000e-04 -2.6972000000e-03  3.4363000000e-03  1.8763000000e-03 -1.0019000000e-03 -3.2660000000e-04 -1.6637000000e-03  3.5540000000e-03
-
-JOB 58
-COORDS -1.8915940000e+00 -3.6389800000e-01 -1.0734620000e+00 -2.5692120000e+00 -4.9276800000e-01 -4.0979200000e-01 -1.3581850000e+00  3.5537700000e-01 -7.3530500000e-01  1.8617950000e+00  3.5695600000e-01  9.6914100000e-01  1.5614820000e+00  1.2593200000e-01  1.8481580000e+00  2.7930660000e+00  1.3567700000e-01  9.6781700000e-01
-ENERGY -1.526549895707e+02
-FORCES  6.3260000000e-04  2.6284000000e-03  4.0627000000e-03  2.5961000000e-03  4.0860000000e-04 -2.4990000000e-03 -3.7521000000e-03 -2.8239000000e-03 -1.5751000000e-03  3.4413000000e-03 -2.4608000000e-03  3.3406000000e-03  8.6470000000e-04  1.2409000000e-03 -3.6480000000e-03 -3.7826000000e-03  1.0068000000e-03  3.1880000000e-04
-
-JOB 59
-COORDS -5.6440800000e-01  2.6457800000e-01 -2.0520850000e+00 -1.7245300000e-01  3.4926000000e-01 -2.9212410000e+00 -1.1355870000e+00  1.0283860000e+00 -1.9709490000e+00  6.4093300000e-01 -3.4710900000e-01  2.1122580000e+00  4.1799200000e-01  5.6875600000e-01  1.9457630000e+00 -1.9763800000e-01 -8.0763800000e-01  2.0815430000e+00
-ENERGY -1.526539904205e+02
-FORCES -1.7230000000e-04  3.1807000000e-03 -3.8569000000e-03 -1.8282000000e-03 -2.4460000000e-04  3.5457000000e-03  2.3347000000e-03 -3.1505000000e-03  2.4970000000e-04 -4.4401000000e-03  1.6029000000e-03 -2.4243000000e-03  8.5810000000e-04 -3.2539000000e-03  1.4717000000e-03  3.2477000000e-03  1.8653000000e-03  1.0141000000e-03
-
-JOB 60
-COORDS -1.4835450000e+00 -1.2932220000e+00 -1.0731530000e+00 -2.3096450000e+00 -1.1500440000e+00 -6.1131900000e-01 -8.1025600000e-01 -1.1730340000e+00 -4.0347500000e-01  1.5158780000e+00  1.2661340000e+00  9.4518500000e-01  1.0245880000e+00  2.0321330000e+00  1.2420220000e+00  1.5502650000e+00  6.9184400000e-01  1.7101950000e+00
-ENERGY -1.526544963506e+02
-FORCES  2.5230000000e-04  1.7563000000e-03  4.3917000000e-03  3.2248000000e-03 -5.8800000000e-04 -1.7381000000e-03 -3.7186000000e-03 -1.6603000000e-03 -2.3658000000e-03 -8.2470000000e-04  2.1355000000e-03  4.4675000000e-03  1.9539000000e-03 -3.5238000000e-03 -1.0880000000e-03 -8.8760000000e-04  1.8802000000e-03 -3.6673000000e-03
-
-JOB 61
-COORDS -1.1879610000e+00 -1.7344800000e-01  1.9409270000e+00 -2.6479300000e-01 -2.1693000000e-02  2.1433170000e+00 -1.2514270000e+00 -3.9847000000e-02  9.9522400000e-01  1.1835380000e+00  2.1889000000e-01 -1.9169240000e+00  2.5092400000e-01  1.0476500000e-01 -2.0997880000e+00  1.4643140000e+00 -6.2599100000e-01 -1.5653950000e+00
-ENERGY -1.526542879134e+02
-FORCES  3.8325000000e-03  2.1020000000e-03 -2.7987000000e-03 -3.9452000000e-03 -1.1512000000e-03 -6.3600000000e-04 -1.4750000000e-04 -1.3026000000e-03  3.4663000000e-03 -1.8940000000e-03 -4.2538000000e-03 -9.8370000000e-04  3.6941000000e-03  6.4690000000e-04  1.8670000000e-03 -1.5399000000e-03  3.9587000000e-03 -9.1490000000e-04
-
-JOB 62
-COORDS  1.0404090000e+00  1.7407580000e+00  1.1290900000e+00  4.6355400000e-01  1.0454290000e+00  1.4452990000e+00  6.6253700000e-01  2.0028450000e+00  2.8959300000e-01 -9.7000700000e-01 -1.7178210000e+00 -1.1599690000e+00 -4.3517400000e-01 -1.7878340000e+00 -3.6922000000e-01 -1.8675940000e+00 -1.6406000000e+00 -8.3654200000e-01
-ENERGY -1.526540403693e+02
-FORCES -3.9041000000e-03 -1.3092000000e-03 -2.7086000000e-03  2.3633000000e-03  2.1816000000e-03 -1.1169000000e-03  1.6180000000e-03 -8.7980000000e-04  3.9509000000e-03 -1.5134000000e-03 -1.2910000000e-03  4.0432000000e-03 -2.5867000000e-03  1.1489000000e-03 -3.0185000000e-03  4.0229000000e-03  1.4950000000e-04 -1.1501000000e-03
-
-JOB 63
-COORDS -7.7215800000e-01 -2.0555600000e+00 -7.9257700000e-01 -1.3693190000e+00 -1.4378510000e+00 -3.7059900000e-01  8.5717000000e-02 -1.8530420000e+00 -4.1939000000e-01  7.9452500000e-01  1.9975470000e+00  7.9109400000e-01  2.4227100000e-01  2.7557820000e+00  6.0049900000e-01  5.9110500000e-01  1.3717010000e+00  9.5991000000e-02
-ENERGY -1.526539983754e+02
-FORCES  7.7720000000e-04  1.9747000000e-03  3.9984000000e-03  2.9013000000e-03 -1.9721000000e-03 -2.3423000000e-03 -3.7452000000e-03  6.0200000000e-05 -2.1577000000e-03 -2.7265000000e-03  1.6484000000e-03 -3.9566000000e-03  2.2346000000e-03 -3.3537000000e-03  8.8730000000e-04  5.5860000000e-04  1.6425000000e-03  3.5709000000e-03
-
-JOB 64
-COORDS  2.8385400000e-01 -3.6489100000e-01 -2.2389030000e+00 -5.0840600000e-01  1.7031300000e-01 -2.1929400000e+00 -3.7499000000e-02 -1.2640180000e+00 -2.3062390000e+00 -2.2968100000e-01  3.5020300000e-01  2.2959710000e+00  5.4996800000e-01  8.9473800000e-01  2.1870630000e+00 -6.9524800000e-01  4.2839300000e-01  1.4632860000e+00
-ENERGY -1.526544436073e+02
-FORCES -4.2912000000e-03 -2.2131000000e-03 -1.1874000000e-03  3.3777000000e-03 -2.0234000000e-03  7.9300000000e-04  1.2058000000e-03  4.0153000000e-03  3.1080000000e-04  2.0975000000e-03  2.3269000000e-03 -4.3875000000e-03 -3.3789000000e-03 -1.9491000000e-03  9.1930000000e-04  9.8900000000e-04 -1.5650000000e-04  3.5518000000e-03
-
-JOB 65
-COORDS -1.4673560000e+00  8.2926900000e-01  1.4894360000e+00 -2.4068760000e+00  9.8139700000e-01  1.5913670000e+00 -1.0553050000e+00  1.4952150000e+00  2.0398550000e+00  1.5604800000e+00 -8.9050900000e-01 -1.5073620000e+00  1.2575950000e+00 -9.5447200000e-01 -2.4131230000e+00  7.8458900000e-01 -6.2636200000e-01 -1.0129430000e+00
-ENERGY -1.526558897146e+02
-FORCES -2.4120000000e-03  3.5818000000e-03  3.4354000000e-03  3.9015000000e-03 -5.4280000000e-04 -4.4830000000e-04 -1.9194000000e-03 -2.7340000000e-03 -2.3528000000e-03 -4.9614000000e-03  1.0122000000e-03 -9.1070000000e-04  1.2880000000e-03  2.0160000000e-04  3.3790000000e-03  4.1033000000e-03 -1.5187000000e-03 -3.1026000000e-03
-
-JOB 66
-COORDS -1.4659960000e+00  8.6115200000e-01 -1.6789250000e+00 -1.4371430000e+00  1.5500900000e+00 -1.0150240000e+00 -8.5377700000e-01  1.9695100000e-01 -1.3622900000e+00  1.4808670000e+00 -8.5565000000e-01  1.6841770000e+00  1.3798960000e+00 -1.5122860000e+00  9.9507200000e-01  7.8003800000e-01 -2.2489800000e-01  1.5191880000e+00
-ENERGY -1.526528211399e+02
-FORCES  2.3866000000e-03  6.2440000000e-04  3.2580000000e-03  9.8600000000e-05 -3.3989000000e-03 -2.4673000000e-03 -2.4266000000e-03  2.5808000000e-03 -4.7450000000e-04 -2.8739000000e-03 -6.3980000000e-04 -2.6722000000e-03  6.6200000000e-05  3.3371000000e-03  2.5776000000e-03  2.7491000000e-03 -2.5036000000e-03 -2.2160000000e-04
-
-JOB 67
-COORDS -7.7952800000e-01 -1.4393270000e+00 -1.7691360000e+00 -1.0254390000e+00 -5.3334300000e-01 -1.9560910000e+00 -6.3579700000e-01 -1.4586250000e+00 -8.2298600000e-01  8.1815000000e-01  1.4425510000e+00  1.6981790000e+00  4.6775000000e-01  6.7306200000e-01  1.2494700000e+00  6.0526000000e-01  1.3002050000e+00  2.6204840000e+00
-ENERGY -1.526530160268e+02
-FORCES -6.8920000000e-04  3.4789000000e-03  2.2643000000e-03  1.1408000000e-03 -4.0545000000e-03  1.2453000000e-03 -2.3950000000e-04  7.5380000000e-04 -3.2517000000e-03 -1.7894000000e-03 -3.4881000000e-03  2.5958000000e-03  7.4720000000e-04  2.7824000000e-03  1.2169000000e-03  8.3010000000e-04  5.2750000000e-04 -4.0707000000e-03
-
-JOB 68
-COORDS -1.6877200000e+00  4.8862900000e-01  1.5732830000e+00 -1.3911330000e+00  1.1273230000e+00  2.2216180000e+00 -1.3525290000e+00 -3.4962400000e-01  1.8914180000e+00  1.6849600000e+00 -4.5844900000e-01 -1.5652550000e+00  1.7598730000e+00 -1.3200700000e+00 -1.9754130000e+00  1.1168430000e+00  3.8845000000e-02 -2.1536200000e+00
-ENERGY -1.526544656183e+02
-FORCES  3.4564000000e-03 -9.5660000000e-04  3.6939000000e-03 -1.4759000000e-03 -2.4773000000e-03 -2.4861000000e-03 -1.9294000000e-03  3.2950000000e-03 -9.4110000000e-04 -2.6081000000e-03 -1.0673000000e-03 -4.0740000000e-03 -2.4210000000e-04  3.3758000000e-03  1.8018000000e-03  2.7990000000e-03 -2.1697000000e-03  2.0056000000e-03
-
-JOB 69
-COORDS -1.0983320000e+00  1.7197770000e+00  1.1903450000e+00 -1.8168430000e+00  1.4785560000e+00  6.0572000000e-01 -1.3442090000e+00  2.5800490000e+00  1.5305030000e+00  1.1289680000e+00 -1.8073450000e+00 -1.1975420000e+00  6.4021800000e-01 -9.8462500000e-01 -1.2196380000e+00  1.9776620000e+00 -1.5723060000e+00 -8.2243400000e-01
-ENERGY -1.526549032087e+02
-FORCES -4.4371000000e-03  2.8437000000e-03 -2.3480000000e-04  3.4449000000e-03  9.1530000000e-04  1.9931000000e-03  9.7300000000e-04 -3.5740000000e-03 -1.4603000000e-03  1.4873000000e-03  4.7857000000e-03  2.2321000000e-03  1.6628000000e-03 -3.7229000000e-03 -7.0590000000e-04 -3.1309000000e-03 -1.2476000000e-03 -1.8242000000e-03
-
-JOB 70
-COORDS  1.8132400000e+00  5.9153600000e-01 -1.4661590000e+00  1.9183670000e+00  7.4623300000e-01 -2.4049080000e+00  1.7387600000e+00  1.4666620000e+00 -1.0855830000e+00 -1.7578450000e+00 -6.2900600000e-01  1.5076200000e+00 -2.1432580000e+00 -1.0474060000e+00  7.3779500000e-01 -2.4549650000e+00 -6.4436200000e-01  2.1633790000e+00
-ENERGY -1.526538919012e+02
-FORCES -3.4300000000e-05  4.3790000000e-03 -1.6127000000e-03 -5.2980000000e-04 -7.6600000000e-04  3.7647000000e-03  6.2530000000e-04 -3.4262000000e-03 -2.0023000000e-03 -4.0296000000e-03 -2.1163000000e-03 -9.0710000000e-04  1.0828000000e-03  1.7503000000e-03  3.4029000000e-03  2.8857000000e-03  1.7920000000e-04 -2.6456000000e-03
-
-JOB 71
-COORDS  2.3607710000e+00  6.2042500000e-01  1.5270600000e-01  1.5095530000e+00  9.9950800000e-01 -6.6282000000e-02  2.8929460000e+00  1.3675100000e+00  4.2635800000e-01 -2.3614160000e+00 -7.4872400000e-01 -1.1944400000e-01 -2.2494560000e+00 -6.1595800000e-01 -1.0607570000e+00 -2.1712010000e+00  1.0575900000e-01  2.6773700000e-01
-ENERGY -1.526532815099e+02
-FORCES -1.0905000000e-03  4.3880000000e-03  3.8980000000e-04  3.1537000000e-03 -1.2791000000e-03  7.6010000000e-04 -2.3088000000e-03 -3.1077000000e-03 -1.1609000000e-03  9.2000000000e-04  3.4804000000e-03 -2.2017000000e-03 -3.3030000000e-04 -2.2680000000e-04  4.0368000000e-03 -3.4420000000e-04 -3.2549000000e-03 -1.8241000000e-03
-
-JOB 72
-COORDS -4.2044500000e-01  1.3697130000e+00  1.9897670000e+00 -7.7259100000e-01  2.0694520000e+00  2.5398500000e+00 -1.8971100000e-01  1.8033780000e+00  1.1682270000e+00  4.7619600000e-01 -1.3745940000e+00 -1.9782710000e+00  4.8949700000e-01 -2.2872440000e+00 -1.6899570000e+00 -4.2643100000e-01 -1.2248880000e+00 -2.2594910000e+00
-ENERGY -1.526544296402e+02
-FORCES  3.1900000000e-05  4.4784000000e-03 -1.4771000000e-03  1.3489000000e-03 -2.8878000000e-03 -2.2271000000e-03 -1.3993000000e-03 -1.3486000000e-03  3.7101000000e-03 -3.6838000000e-03 -3.4812000000e-03  6.0030000000e-04 -2.5000000000e-05  3.6054000000e-03 -1.5495000000e-03  3.7273000000e-03 -3.6620000000e-04  9.4320000000e-04
-
-JOB 73
-COORDS -2.2365240000e+00 -6.4893300000e-01 -9.8279200000e-01 -2.6973200000e+00 -9.0454300000e-01 -1.8369100000e-01 -2.1806070000e+00  3.0532300000e-01 -9.3277500000e-01  2.2589320000e+00  5.7350400000e-01  8.8366900000e-01  1.6612660000e+00  4.3788900000e-01  1.6189480000e+00  2.8086090000e+00  1.3091360000e+00  1.1537290000e+00
-ENERGY -1.526536232121e+02
-FORCES -1.2256000000e-03  2.9470000000e-03  3.1430000000e-03  1.9446000000e-03  1.0661000000e-03 -3.0988000000e-03 -6.3420000000e-04 -3.9180000000e-03 -2.6100000000e-05 -5.4100000000e-05  2.0557000000e-03  4.0623000000e-03  2.3441000000e-03  8.2840000000e-04 -2.9146000000e-03 -2.3748000000e-03 -2.9792000000e-03 -1.1658000000e-03
-
-JOB 74
-COORDS  1.1747100000e-01  7.1020000000e-01  2.4535820000e+00 -6.8572600000e-01  3.3405500000e-01  2.8136110000e+00  6.4704800000e-01 -4.7529000000e-02  2.2053350000e+00 -3.7718000000e-02 -6.4139100000e-01 -2.4514300000e+00 -6.0179500000e-01 -1.3491220000e+00 -2.1397160000e+00 -6.2981200000e-01 -4.8988000000e-02 -2.9148060000e+00
-ENERGY -1.526539804599e+02
-FORCES -7.2000000000e-04 -4.5968000000e-03 -5.9000000000e-06  3.1205000000e-03  1.5025000000e-03 -1.5088000000e-03 -2.3523000000e-03  2.9511000000e-03  1.5250000000e-03 -4.8342000000e-03  8.6900000000e-05 -6.8190000000e-04  2.4097000000e-03  2.7078000000e-03 -1.0418000000e-03  2.3763000000e-03 -2.6515000000e-03  1.7134000000e-03
-
-JOB 75
-COORDS -9.2418700000e-01  1.6275370000e+00  1.7935490000e+00 -1.3371200000e+00  8.6159500000e-01  2.1923590000e+00 -1.3300820000e+00  1.6963340000e+00  9.2940400000e-01  9.9395800000e-01 -1.5512640000e+00 -1.7267300000e+00  8.4029500000e-01 -2.4958780000e+00 -1.7447320000e+00  6.4564300000e-01 -1.2355280000e+00 -2.5605290000e+00
-ENERGY -1.526538841754e+02
-FORCES -2.6958000000e-03 -3.4531000000e-03 -2.3761000000e-03  1.3582000000e-03  3.2641000000e-03 -1.3277000000e-03  1.2026000000e-03  1.2830000000e-04  3.5981000000e-03 -1.5346000000e-03 -2.6695000000e-03 -3.6036000000e-03  4.8050000000e-04  3.9480000000e-03  1.4130000000e-04  1.1892000000e-03 -1.2178000000e-03  3.5680000000e-03
-
-JOB 76
-COORDS  8.0809100000e-01 -1.2729780000e+00  2.2283650000e+00 -1.0275400000e-01 -1.5558830000e+00  2.3093470000e+00  1.0141370000e+00 -8.8141000000e-01  3.0771590000e+00 -7.9721900000e-01  1.2054930000e+00 -2.2775240000e+00 -9.8392400000e-01  2.0577990000e+00 -1.8838890000e+00 -3.5511000000e-02  1.3607700000e+00 -2.8360230000e+00
-ENERGY -1.526538973320e+02
-FORCES -3.2025000000e-03  3.9780000000e-04  3.3798000000e-03  3.8239000000e-03  1.0701000000e-03  4.9700000000e-05 -7.6020000000e-04 -1.5038000000e-03 -3.4555000000e-03  2.8547000000e-03  3.8879000000e-03 -3.4740000000e-04  5.4240000000e-04 -3.3717000000e-03 -1.6724000000e-03 -3.2582000000e-03 -4.8040000000e-04  2.0457000000e-03
-
-JOB 77
-COORDS  9.2096000000e-01  1.5223750000e+00 -2.7204020000e+00  6.1388200000e-01  1.0528930000e+00 -1.9448230000e+00  1.6884650000e+00  2.0082530000e+00 -2.4185900000e+00 -9.1230800000e-01 -1.5480180000e+00  2.6093620000e+00 -1.3544770000e+00 -7.0516300000e-01  2.7109140000e+00 -1.0553910000e+00 -1.9960720000e+00  3.4430330000e+00
-ENERGY -1.526543852153e+02
-FORCES  1.9426000000e-03 -2.8480000000e-04  4.4619000000e-03  1.1795000000e-03  2.2475000000e-03 -3.2520000000e-03 -3.1302000000e-03 -1.8420000000e-03 -1.2550000000e-03 -2.5748000000e-03  1.3054000000e-03  4.0524000000e-03  1.9938000000e-03 -3.3288000000e-03 -6.0540000000e-04  5.8920000000e-04  1.9028000000e-03 -3.4019000000e-03
-
-JOB 78
-COORDS  1.7304830000e+00  2.0731280000e+00 -1.8482210000e+00  2.0544650000e+00  1.9508010000e+00 -9.5586200000e-01  8.0488200000e-01  2.2915460000e+00 -1.7396540000e+00 -1.7379870000e+00 -2.0364380000e+00  1.8193080000e+00 -1.8597050000e+00 -2.9631930000e+00  1.6130520000e+00 -8.7896500000e-01 -1.8206120000e+00  1.4563580000e+00
-ENERGY -1.526541885012e+02
-FORCES -2.4889000000e-03  7.8500000000e-04  4.0029000000e-03 -1.3465000000e-03  2.3340000000e-04 -3.6333000000e-03  3.8788000000e-03 -1.0471000000e-03 -4.2850000000e-04  2.9324000000e-03 -3.2047000000e-03 -2.3444000000e-03  5.0490000000e-04  3.8255000000e-03  8.7710000000e-04 -3.4806000000e-03 -5.9220000000e-04  1.5262000000e-03
-
-JOB 79
-COORDS  7.9267600000e-01 -2.4802790000e+00 -1.9601970000e+00  1.6247340000e+00 -2.9038150000e+00 -1.7491760000e+00  5.4985000000e-01 -2.0158650000e+00 -1.1592050000e+00 -8.3927000000e-01  2.4365540000e+00  1.9609890000e+00 -2.1858300000e-01  2.2830550000e+00  1.2486570000e+00 -1.2660060000e+00  3.2626490000e+00  1.7336250000e+00
-ENERGY -1.526541788971e+02
-FORCES  2.2765000000e-03 -1.4420000000e-04  4.2437000000e-03 -3.3688000000e-03  1.8175000000e-03 -9.0100000000e-04  1.1367000000e-03 -1.6390000000e-03 -3.4182000000e-03  6.2850000000e-04  3.0784000000e-03 -3.8208000000e-03 -2.4651000000e-03  2.8710000000e-04  2.9399000000e-03  1.7923000000e-03 -3.3998000000e-03  9.5640000000e-04
-
-JOB 80
-COORDS  9.5692900000e-01  1.1432000000e-02  3.2926610000e+00  8.6840900000e-01  3.8708500000e-01  2.4167150000e+00  1.9002830000e+00 -5.6400000000e-04  3.4544330000e+00 -1.0252570000e+00 -8.8390000000e-02 -3.2805700000e+00 -1.1717640000e+00  8.2976100000e-01 -3.5080910000e+00 -4.2164800000e-01 -5.8327000000e-02 -2.5382870000e+00
-ENERGY -1.526536762719e+02
-FORCES  3.5327000000e-03  1.4175000000e-03 -2.6819000000e-03  3.3940000000e-04 -1.5164000000e-03  3.3370000000e-03 -3.9117000000e-03  8.4700000000e-05 -7.5290000000e-04  1.7025000000e-03  3.8049000000e-03  1.9710000000e-03  6.8500000000e-04 -3.7740000000e-03  1.0115000000e-03 -2.3479000000e-03 -1.6800000000e-05 -2.8847000000e-03
-
-JOB 81
-COORDS -1.5465570000e+00  7.1815300000e-01  3.0679620000e+00 -1.9033030000e+00 -1.3937000000e-01  2.8364060000e+00 -1.2935420000e+00  1.1068780000e+00  2.2306390000e+00  1.4999710000e+00 -6.5424800000e-01 -3.0351710000e+00  2.1656870000e+00 -4.3325800000e-01 -2.3838510000e+00  1.7326930000e+00 -1.5357960000e+00 -3.3266240000e+00
-ENERGY -1.526543562787e+02
-FORCES -5.7360000000e-04 -1.8631000000e-03 -4.5193000000e-03  1.4965000000e-03  3.4392000000e-03  1.0527000000e-03 -9.1930000000e-04 -1.5702000000e-03  3.5550000000e-03  3.8954000000e-03 -2.7304000000e-03  1.1995000000e-03 -2.8954000000e-03 -8.8390000000e-04 -2.5475000000e-03 -1.0036000000e-03  3.6084000000e-03  1.2597000000e-03
-
-JOB 82
-COORDS  3.3951880000e+00 -9.6285100000e-01  1.8885700000e-01  3.0734560000e+00 -1.0755800000e-01  4.7380200000e-01  3.4352210000e+00 -1.4836120000e+00  9.9100200000e-01 -3.4006820000e+00  8.7634200000e-01 -2.1949800000e-01 -3.9344390000e+00  1.6027260000e+00 -5.4152600000e-01 -2.5032580000e+00  1.2083430000e+00 -2.4474700000e-01
-ENERGY -1.526539762397e+02
-FORCES -1.0971000000e-03  1.1686000000e-03  4.5133000000e-03  1.1964000000e-03 -3.3789000000e-03 -1.2491000000e-03 -1.2880000000e-04  2.2020000000e-03 -3.2912000000e-03  1.4436000000e-03  4.2421000000e-03 -1.6232000000e-03  2.1959000000e-03 -2.9502000000e-03  1.3680000000e-03 -3.6100000000e-03 -1.2835000000e-03  2.8220000000e-04
-
-JOB 83
-COORDS  7.2863600000e-01  2.9777610000e+00  1.9629250000e+00  1.2546760000e+00  2.5073530000e+00  2.6096320000e+00  4.6800000000e-03  2.3838160000e+00  1.7645630000e+00 -6.8561300000e-01 -2.8667460000e+00 -1.9870010000e+00 -1.2919410000e+00 -3.1794470000e+00 -1.3155730000e+00 -7.5136200000e-01 -3.5134030000e+00 -2.6896710000e+00
-ENERGY -1.526541101987e+02
-FORCES -7.2850000000e-04 -4.5100000000e-03  1.5457000000e-03 -2.1600000000e-03  1.9741000000e-03 -2.5133000000e-03  2.8538000000e-03  2.5177000000e-03  1.0162000000e-03 -2.7122000000e-03 -3.9943000000e-03 -3.5540000000e-04  2.4995000000e-03  1.3869000000e-03 -2.6148000000e-03  2.4740000000e-04  2.6256000000e-03  2.9216000000e-03
-
-JOB 84
-COORDS  1.3047500000e+00  2.5198890000e+00 -2.3169140000e+00  1.3324670000e+00  2.9604840000e+00 -1.4675960000e+00  1.4246660000e+00  1.5929480000e+00 -2.1104360000e+00 -1.3505010000e+00 -2.5282380000e+00  2.2178320000e+00 -1.5441920000e+00 -2.0922410000e+00  3.0476640000e+00 -4.5903300000e-01 -2.2526910000e+00  2.0043130000e+00
-ENERGY -1.526538267366e+02
-FORCES  4.8960000000e-04 -1.9709000000e-03  4.1713000000e-03 -7.1700000000e-05 -1.8606000000e-03 -3.4048000000e-03 -4.0810000000e-04  3.7962000000e-03 -7.1150000000e-04  2.7169000000e-03  2.7369000000e-03  2.6694000000e-03  8.6230000000e-04 -1.7341000000e-03 -3.4600000000e-03 -3.5890000000e-03 -9.6740000000e-04  7.3560000000e-04
-
-JOB 85
-COORDS -1.1617730000e+00 -3.4385040000e+00 -1.4379480000e+00 -1.8911570000e+00 -3.8580340000e+00 -9.8163100000e-01 -1.3986510000e+00 -3.4865160000e+00 -2.3641310000e+00  1.2335340000e+00  3.4246770000e+00  1.4168890000e+00  6.3594900000e-01  3.1754290000e+00  2.1218700000e+00  1.4235290000e+00  4.3487540000e+00  1.5788040000e+00
-ENERGY -1.526538710882e+02
-FORCES -3.8719000000e-03 -1.7917000000e-03 -1.9735000000e-03  2.9624000000e-03  1.7009000000e-03 -1.8244000000e-03  9.3140000000e-04  1.3130000000e-04  3.7880000000e-03 -1.6904000000e-03  2.5728000000e-03  3.5204000000e-03  2.4380000000e-03  1.1321000000e-03 -2.8320000000e-03 -7.6950000000e-04 -3.7453000000e-03 -6.7850000000e-04
-
-JOB 86
-COORDS -3.8361770000e+00 -5.2961900000e-01 -6.3402700000e-01 -3.4688010000e+00 -6.2800700000e-01 -1.5124270000e+00 -4.7837650000e+00 -5.6349900000e-01 -7.6502800000e-01  3.8453420000e+00  4.8909600000e-01  7.3636900000e-01  4.4484450000e+00  1.2034560000e+00  9.4176800000e-01  3.6595680000e+00  5.9271000000e-01 -1.9689600000e-01
-ENERGY -1.526538819739e+02
-FORCES -2.3278000000e-03 -6.0390000000e-04 -4.0482000000e-03 -1.5005000000e-03  4.4600000000e-04  3.5389000000e-03  3.8673000000e-03  1.5740000000e-04  5.2310000000e-04  1.5497000000e-03  3.3690000000e-03 -2.9099000000e-03 -2.4181000000e-03 -2.9270000000e-03 -8.5270000000e-04  8.2940000000e-04 -4.4160000000e-04  3.7488000000e-03
-
-JOB 87
-COORDS  1.4578270000e+00 -3.3978000000e-01 -3.6689340000e+00  7.4784600000e-01 -8.5431000000e-01 -3.2849860000e+00  1.5266470000e+00 -6.5955800000e-01 -4.5685100000e+00 -1.3936740000e+00  4.5383400000e-01  3.7068020000e+00 -1.6442290000e+00 -1.7767000000e-01  4.3810840000e+00 -1.5641320000e+00  2.4980000000e-03  2.8800780000e+00
-ENERGY -1.526538874022e+02
-FORCES -2.5550000000e-03 -3.3452000000e-03 -2.1700000000e-03  2.8482000000e-03  2.0707000000e-03 -1.4871000000e-03 -2.9790000000e-04  1.2896000000e-03  3.6985000000e-03 -1.6299000000e-03 -4.3623000000e-03 -6.2750000000e-04  1.0029000000e-03  2.5680000000e-03 -2.7695000000e-03  6.3170000000e-04  1.7791000000e-03  3.3555000000e-03
-
-JOB 88
-COORDS -3.5730610000e+00 -1.9269490000e+00 -1.5646300000e+00 -3.4390500000e+00 -1.7573860000e+00 -6.3214900000e-01 -4.5222640000e+00 -1.8877210000e+00 -1.6816990000e+00  3.6245780000e+00  1.9893160000e+00  1.5308110000e+00  2.8636220000e+00  1.4639960000e+00  1.7782320000e+00  4.2661920000e+00  1.3507020000e+00  1.2197890000e+00
-ENERGY -1.526540704108e+02
-FORCES -3.4337000000e-03  8.8390000000e-04  3.2554000000e-03 -4.4810000000e-04 -7.0440000000e-04 -3.7690000000e-03  3.8919000000e-03 -1.7620000000e-04  5.0110000000e-04 -4.7720000000e-04 -4.7703000000e-03 -3.8080000000e-04  3.0699000000e-03  2.1532000000e-03 -9.2890000000e-04 -2.6027000000e-03  2.6137000000e-03  1.3222000000e-03
-
-JOB 89
-COORDS  1.0759080000e+00 -4.9556420000e+00 -1.9270960000e+00  1.5677710000e+00 -4.1355400000e+00 -1.8854330000e+00  1.0631310000e+00 -5.2739410000e+00 -1.0244580000e+00 -1.0552140000e+00  4.9675300000e+00  1.8711710000e+00 -1.9445960000e+00  5.1141510000e+00  2.1932500000e+00 -1.0651620000e+00  4.0698140000e+00  1.5391470000e+00
-ENERGY -1.526540642721e+02
-FORCES  2.0263000000e-03  1.9927000000e-03  3.8254000000e-03 -2.0554000000e-03 -3.3215000000e-03 -1.5140000000e-04  1.9600000000e-05  1.3292000000e-03 -3.6770000000e-03 -3.7205000000e-03 -3.0143000000e-03 -5.7900000000e-05  3.6453000000e-03 -6.1480000000e-04 -1.3060000000e-03  8.4700000000e-05  3.6288000000e-03  1.3668000000e-03
-
-JOB 0
-COORDS  9.9433000000e-02  1.0022210000e+00 -6.6842500000e-01  1.9134300000e-01  3.5898800000e-01 -1.3713020000e+00 -5.7833700000e-01  1.6023380000e+00 -9.7942300000e-01 -8.9662000000e-02 -1.0326860000e+00  7.8615500000e-01 -2.8249800000e-01 -1.2233900000e-01  5.6184700000e-01  3.6961300000e-01 -1.3765300000e+00  1.9951000000e-02
-ENERGY -1.526501518448e+02
-FORCES -1.5414000000e-03 -1.4803300000e-02  5.1591000000e-03 -5.2610000000e-04  9.2780000000e-04  5.4954000000e-03  2.7899000000e-03 -5.1273000000e-03  2.9507000000e-03  3.4859000000e-03  2.1708600000e-02 -1.4965900000e-02 -2.9101000000e-03 -3.9172000000e-03  2.4586000000e-03 -1.2980000000e-03  1.2114000000e-03 -1.0979000000e-03
-
-JOB 1
-COORDS -1.6650500000e-01  3.3960700000e-01 -1.2795490000e+00  4.6071200000e-01 -2.1914200000e-01 -1.7384920000e+00 -2.3924900000e-01 -4.7499000000e-02 -4.0714500000e-01  1.3886000000e-01 -2.9386000000e-01  1.1950000000e+00 -6.4136300000e-01 -1.8235500000e-01  1.7381850000e+00  8.6463200000e-01 -3.1419500000e-01  1.8187580000e+00
-ENERGY -1.526554190759e+02
-FORCES  5.2872000000e-03 -6.3103000000e-03  1.8338200000e-02 -9.2300000000e-04  1.4902000000e-03  1.9007000000e-03 -6.0085000000e-03  2.6630000000e-04 -3.5310000000e-03  2.0992000000e-03  5.1345000000e-03 -1.2017800000e-02  4.4699000000e-03 -3.4040000000e-04 -3.7626000000e-03 -4.9248000000e-03 -2.4030000000e-04 -9.2740000000e-04
-
-JOB 2
-COORDS -1.3043100000e+00 -2.8862500000e-01 -1.8912600000e-01 -1.4873680000e+00  7.1011000000e-02 -1.0571030000e+00 -3.6449500000e-01 -1.5422800000e-01 -6.6992000000e-02  1.2017010000e+00  2.6301700000e-01  2.2012900000e-01  1.7250880000e+00  1.0627250000e+00  1.6754700000e-01  1.8455830000e+00 -4.3994100000e-01  3.0672500000e-01
-ENERGY -1.526578798895e+02
-FORCES  1.8228300000e-02  5.4956000000e-03  1.0859000000e-03  1.3607000000e-03 -2.0930000000e-04  2.2658000000e-03 -5.4354000000e-03 -4.2475000000e-03 -8.2730000000e-04 -1.0868400000e-02 -4.3800000000e-04 -2.0069000000e-03 -3.7800000000e-04 -5.2697000000e-03  1.6260000000e-04 -2.9071000000e-03  4.6688000000e-03 -6.8010000000e-04
-
-JOB 3
-COORDS  6.2113600000e-01 -1.1278650000e+00  2.4358600000e-01  3.6579600000e-01 -1.6313930000e+00 -5.2939000000e-01  1.5389330000e+00 -9.0289600000e-01  9.1043000000e-02 -7.1829200000e-01  1.1617890000e+00 -1.9068400000e-01 -2.7362400000e-01  4.4701400000e-01  2.6494700000e-01 -4.8355000000e-02  1.5346560000e+00 -7.6373400000e-01
-ENERGY -1.526576418115e+02
-FORCES -2.9139000000e-03  3.9529000000e-03 -6.6176000000e-03  2.9112000000e-03  2.3696000000e-03  3.8406000000e-03 -5.7260000000e-03  7.9050000000e-04 -2.5020000000e-04  1.0371800000e-02 -1.3859700000e-02  2.3210000000e-03 -3.3647000000e-03  8.3189000000e-03 -5.7080000000e-04 -1.2784000000e-03 -1.5722000000e-03  1.2770000000e-03
-
-JOB 4
-COORDS -5.7099000000e-01  1.3061900000e-01  1.2128480000e+00 -1.4833180000e+00  1.2621900000e-01  9.2324500000e-01 -5.2908700000e-01 -5.5018900000e-01  1.8843960000e+00  6.8347600000e-01 -8.9929000000e-02 -1.2471970000e+00 -5.7647000000e-02  1.3517800000e-01 -1.8095980000e+00  2.8292400000e-01 -4.0000900000e-01 -4.3501400000e-01
-ENERGY -1.526567376529e+02
-FORCES -2.5466000000e-03  6.7550000000e-04  5.4020000000e-04  5.9397000000e-03 -1.2299000000e-03 -4.5720000000e-04  2.4450000000e-04  2.9644000000e-03 -5.2861000000e-03 -7.3136000000e-03  2.0983000000e-03  1.1224200000e-02  1.4981000000e-03 -7.1740000000e-04  2.3929000000e-03  2.1779000000e-03 -3.7908000000e-03 -8.4140000000e-03
-
-JOB 5
-COORDS -1.1886750000e+00 -6.4261800000e-01  2.2280500000e-01 -1.8575940000e+00 -1.7286700000e-01  7.2091500000e-01 -7.6730800000e-01 -1.2131780000e+00  8.6556700000e-01  1.2602880000e+00  6.3113100000e-01 -3.1892500000e-01  4.7627600000e-01  1.0791100000e-01 -1.5219300000e-01  1.0810680000e+00  1.4724930000e+00  1.0086200000e-01
-ENERGY -1.526588982136e+02
-FORCES -1.1921000000e-03  1.5964000000e-03  3.5405000000e-03  3.7247000000e-03 -2.7471000000e-03 -1.8638000000e-03  1.5850000000e-04  5.8595000000e-03 -4.6021000000e-03 -1.3311500000e-02 -2.1153000000e-03  2.0815000000e-03  1.0088900000e-02 -2.6530000000e-04  1.6558000000e-03  5.3150000000e-04 -2.3282000000e-03 -8.1190000000e-04
-
-JOB 6
-COORDS  2.0834900000e-01 -1.3656190000e+00 -7.5503000000e-02  3.1598400000e-01 -6.7213400000e-01 -7.2644500000e-01  4.9469600000e-01 -2.1616640000e+00 -5.2333000000e-01 -1.7904100000e-01  1.3251280000e+00  1.2577800000e-01 -2.1134800000e-01  1.9861220000e+00  8.1735200000e-01 -1.0225360000e+00  1.4027730000e+00 -3.2000100000e-01
-ENERGY -1.526544751065e+02
-FORCES  1.6077000000e-03  6.2537000000e-03 -2.0759000000e-03 -1.8635000000e-03 -6.2585000000e-03 -1.4293000000e-03 -1.1276000000e-03  4.4257000000e-03  1.8372000000e-03 -2.7753000000e-03 -1.1034000000e-03  4.1450000000e-03 -6.4320000000e-04 -2.2560000000e-03 -2.9642000000e-03  4.8019000000e-03 -1.0615000000e-03  4.8730000000e-04
-
-JOB 7
-COORDS  1.1214010000e+00 -9.2792500000e-01  2.1112300000e-01  8.4856300000e-01 -1.6823810000e+00 -3.1097600000e-01  4.1191300000e-01 -2.9405700000e-01  1.0590400000e-01 -1.0009330000e+00  9.1901700000e-01 -1.7575000000e-01 -1.5864950000e+00  1.0148680000e+00  5.7535600000e-01 -1.5389010000e+00  1.1558740000e+00 -9.3121200000e-01
-ENERGY -1.526611962466e+02
-FORCES -9.2784000000e-03  5.4901000000e-03 -3.8121000000e-03  6.4730000000e-04  2.1606000000e-03  1.2693000000e-03  6.7283000000e-03 -6.1155000000e-03  3.3623000000e-03 -1.7741000000e-03 -9.6100000000e-05 -8.5280000000e-04  2.4961000000e-03 -5.9910000000e-04 -4.4394000000e-03  1.1807000000e-03 -8.4000000000e-04  4.4727000000e-03
-
-JOB 8
-COORDS -2.3510000000e-02  1.4319360000e+00 -6.2840000000e-02 -1.7347400000e-01  1.1188950000e+00  8.2920700000e-01  8.1499500000e-01  1.8914400000e+00 -1.8141000000e-02 -5.2913000000e-02 -1.4761200000e+00  5.9786000000e-02 -3.2446100000e-01 -7.1578600000e-01 -4.5439800000e-01  8.3145600000e-01 -1.6717630000e+00 -2.4980600000e-01
-ENERGY -1.526592685134e+02
-FORCES  3.7604000000e-03 -1.1807000000e-03  5.5682000000e-03  2.0990000000e-04  2.1836000000e-03 -5.3585000000e-03 -3.3616000000e-03 -2.2276000000e-03  1.9670000000e-04  3.2313000000e-03  7.5386000000e-03 -5.4218000000e-03 -1.1315000000e-03 -6.6136000000e-03  3.4893000000e-03 -2.7085000000e-03  2.9970000000e-04  1.5261000000e-03
-
-JOB 9
-COORDS -8.2795900000e-01 -1.1621580000e+00  2.3861500000e-01  3.2857000000e-02 -1.1837800000e+00 -1.7942700000e-01 -1.4292050000e+00 -1.4834540000e+00 -4.3332500000e-01  8.5816700000e-01  1.1906900000e+00 -2.3100900000e-01  9.9797100000e-01  1.4299210000e+00  6.8520900000e-01 -1.0597000000e-02  7.8906200000e-01 -2.4429900000e-01
-ENERGY -1.526594244174e+02
-FORCES  3.0125000000e-03 -4.1038000000e-03 -2.9654000000e-03 -6.8771000000e-03  2.8156000000e-03  1.6139000000e-03  3.4215000000e-03  2.7947000000e-03  2.5542000000e-03 -6.8670000000e-03 -1.6358000000e-03  5.9530000000e-03  1.8340000000e-04 -8.0970000000e-04 -3.5716000000e-03  7.1267000000e-03  9.3910000000e-04 -3.5841000000e-03
-
-JOB 10
-COORDS -1.4843610000e+00  3.3174000000e-02  1.2244400000e-01 -1.9357960000e+00  7.3205100000e-01 -3.5085100000e-01 -5.7461400000e-01  9.4942000000e-02 -1.6872100000e-01  1.4339670000e+00 -6.1468000000e-02 -1.2852700000e-01  1.1733620000e+00  1.6581700000e-01  7.6403000000e-01  2.2215340000e+00 -5.9460200000e-01 -2.0185000000e-02
-ENERGY -1.526593775402e+02
-FORCES  4.7479000000e-03  7.5680000000e-04 -5.4404000000e-03  2.1199000000e-03 -2.3657000000e-03  1.5549000000e-03 -5.8111000000e-03  3.1253000000e-03  6.8597000000e-03  3.2012000000e-03 -3.4040000000e-03  3.4307000000e-03 -1.4991000000e-03 -1.3179000000e-03 -7.1589000000e-03 -2.7589000000e-03  3.2056000000e-03  7.5400000000e-04
-
-JOB 11
-COORDS -4.2425200000e-01 -3.2917900000e-01 -1.4230940000e+00 -3.2666100000e-01 -1.4144300000e-01 -4.8957200000e-01  4.5020100000e-01 -1.9327800000e-01 -1.7879140000e+00  2.9947500000e-01  3.0854600000e-01  1.3792490000e+00  9.2477000000e-01  8.7857600000e-01  9.3169500000e-01  8.3602400000e-01 -2.1730600000e-01  1.9723980000e+00
-ENERGY -1.526587077262e+02
-FORCES  3.3571000000e-03  4.1000000000e-04  8.2260000000e-03  2.8500000000e-04  1.5137000000e-03 -9.8418000000e-03 -2.4369000000e-03  3.5340000000e-04  2.0434000000e-03  4.8364000000e-03 -7.1320000000e-04  3.0815000000e-03 -4.2116000000e-03 -5.1069000000e-03 -6.5190000000e-04 -1.8299000000e-03  3.5430000000e-03 -2.8572000000e-03
-
-JOB 12
-COORDS  3.9380000000e-03 -1.5362800000e-01  1.5077550000e+00  4.9121700000e-01 -1.4778600000e-01  6.8388800000e-01 -5.3018200000e-01 -9.4680100000e-01  1.4650500000e+00  3.0949000000e-02  2.4403700000e-01 -1.4119480000e+00 -8.6971400000e-01 -7.8986000000e-02 -1.4383030000e+00  4.5505900000e-01 -1.6582700000e-01 -2.1658540000e+00
-ENERGY -1.526584702162e+02
-FORCES  1.0005000000e-03 -1.3688000000e-03 -8.9100000000e-03 -3.9350000000e-04 -2.0313000000e-03  8.3139000000e-03  9.0630000000e-04  2.8291000000e-03 -2.8100000000e-04 -4.3372000000e-03 -9.4030000000e-04 -3.3995000000e-03  4.9518000000e-03  1.5520000000e-04 -1.0550000000e-04 -2.1279000000e-03  1.3561000000e-03  4.3822000000e-03
-
-JOB 13
-COORDS  7.1916700000e-01 -1.1484680000e+00  5.5146600000e-01  1.2169710000e+00 -3.9723500000e-01  8.7406900000e-01  1.0329640000e+00 -1.8865590000e+00  1.0739460000e+00 -7.8228000000e-01  1.1897360000e+00 -5.5498700000e-01 -9.4307600000e-01  2.4613800000e-01 -5.5518100000e-01 -3.5099900000e-01  1.3598620000e+00 -1.3924150000e+00
-ENERGY -1.526591687703e+02
-FORCES  3.3381000000e-03  2.0255000000e-03  3.7789000000e-03 -5.7480000000e-04 -5.3123000000e-03 -9.2980000000e-04 -1.0722000000e-03  3.6940000000e-03 -1.9360000000e-03  1.2781000000e-03 -6.6200000000e-03 -2.4814000000e-03 -1.8665000000e-03  6.4654000000e-03 -1.8098000000e-03 -1.1026000000e-03 -2.5260000000e-04  3.3782000000e-03
-
-JOB 14
-COORDS  9.5461000000e-02  7.2322000000e-02 -1.5409060000e+00 -2.0820500000e-01  9.6799600000e-01 -1.6885090000e+00  2.0831300000e-01  1.0420000000e-02 -5.9240000000e-01 -8.1359000000e-02 -1.4963200000e-01  1.4487270000e+00 -8.6268900000e-01 -1.1483100000e-01  2.0005830000e+00  5.3407400000e-01  4.5330600000e-01  1.8657880000e+00
-ENERGY -1.526603533670e+02
-FORCES -2.0989000000e-03  1.5576000000e-03  8.6151000000e-03  1.0561000000e-03 -2.5978000000e-03  4.7600000000e-04  2.9934000000e-03  1.8719000000e-03 -9.1760000000e-03 -2.9427000000e-03  9.8450000000e-04  4.6368000000e-03  4.4034000000e-03  5.2970000000e-04 -1.3279000000e-03 -3.4112000000e-03 -2.3459000000e-03 -3.2239000000e-03
-
-JOB 15
-COORDS -1.2446520000e+00  6.1187400000e-01 -7.4608200000e-01 -5.6717800000e-01  1.2825610000e+00 -6.5982700000e-01 -7.5989700000e-01 -2.0714600000e-01 -8.4831300000e-01  1.2257660000e+00 -6.2697600000e-01  7.2824400000e-01  1.0553050000e+00  3.1412000000e-01  7.6715000000e-01  4.1563100000e-01 -1.0306810000e+00  1.0395890000e+00
-ENERGY -1.526549150387e+02
-FORCES  7.0261000000e-03 -1.5287000000e-03 -2.1119000000e-03 -2.0465000000e-03 -2.4609000000e-03  2.1976000000e-03 -4.3113000000e-03  2.9175000000e-03  2.1722000000e-03 -5.0487000000e-03  3.0190000000e-03  4.3537000000e-03  7.0840000000e-04 -2.8173000000e-03 -2.9213000000e-03  3.6719000000e-03  8.7040000000e-04 -3.6903000000e-03
-
-JOB 16
-COORDS -5.2324000000e-01  1.4020290000e+00 -1.7585300000e-01 -9.0955600000e-01  6.2959500000e-01  2.3686700000e-01 -1.2739060000e+00  1.9367660000e+00 -4.3428600000e-01  5.7419800000e-01 -1.3335750000e+00  1.8414800000e-01  1.0978550000e+00 -1.9840710000e+00  6.5198500000e-01  3.3004600000e-01 -1.7656450000e+00 -6.3434900000e-01
-ENERGY -1.526561969587e+02
-FORCES -2.1875000000e-03 -3.7333000000e-03  2.5014000000e-03 -2.0798000000e-03  6.1811000000e-03 -2.6769000000e-03  3.1249000000e-03 -2.9282000000e-03  7.1760000000e-04  3.1023000000e-03 -3.7037000000e-03 -2.4037000000e-03 -2.1435000000e-03  2.8002000000e-03 -2.4149000000e-03  1.8370000000e-04  1.3839000000e-03  4.2765000000e-03
-
-JOB 17
-COORDS  8.5439100000e-01 -1.2136070000e+00 -3.8443700000e-01  1.6371740000e+00 -8.5605400000e-01  3.4656000000e-02  3.8392200000e-01 -1.6549700000e+00  3.2273400000e-01 -8.8386200000e-01  1.2760350000e+00  3.5592200000e-01 -5.6351800000e-01  4.2507300000e-01  6.5504400000e-01 -9.7077400000e-01  1.1798990000e+00 -5.9246400000e-01
-ENERGY -1.526560096013e+02
-FORCES  3.8726000000e-03 -1.4944000000e-03  3.2581000000e-03 -4.6589000000e-03 -1.7144000000e-03 -1.5112000000e-03  5.8040000000e-04  5.5393000000e-03 -2.7985000000e-03  3.7306000000e-03 -6.9846000000e-03 -6.1773000000e-03 -2.1749000000e-03  2.1358000000e-03  3.8364000000e-03 -1.3498000000e-03  2.5183000000e-03  3.3925000000e-03
-
-JOB 18
-COORDS  1.2988900000e+00  9.1222700000e-01 -8.1841000000e-02  7.8848000000e-01  1.0928000000e-01  2.2992000000e-02  1.1809130000e+00  1.1533550000e+00 -1.0006290000e+00 -1.2297660000e+00 -8.1819500000e-01  1.4525400000e-01 -1.5270040000e+00 -1.0922590000e+00 -7.2237000000e-01 -1.4737020000e+00 -1.5419680000e+00  7.2221200000e-01
-ENERGY -1.526589285682e+02
-FORCES -7.2515000000e-03 -4.1253000000e-03 -1.7179000000e-03  7.9210000000e-03  4.0127000000e-03 -1.4423000000e-03  5.6450000000e-04 -8.3440000000e-04  2.6306000000e-03 -4.7439000000e-03 -3.7893000000e-03 -2.8270000000e-04  2.3412000000e-03  1.4186000000e-03  3.9969000000e-03  1.1688000000e-03  3.3177000000e-03 -3.1846000000e-03
-
-JOB 19
-COORDS  1.4708230000e+00 -4.1030100000e-01 -1.4022000000e-02  1.4732390000e+00  5.4015200000e-01  9.9396000000e-02  2.2123820000e+00 -5.8471700000e-01 -5.9359200000e-01 -1.5591860000e+00  3.9443900000e-01  4.2260000000e-03 -1.0242850000e+00  8.0799100000e-01  6.8178600000e-01 -1.2651120000e+00 -5.1634000000e-01 -1.1066000000e-02
-ENERGY -1.526560316800e+02
-FORCES  3.0933000000e-03  3.8540000000e-03 -3.4762000000e-03 -5.6260000000e-04 -4.0326000000e-03  1.2629000000e-03 -3.1635000000e-03  9.1330000000e-04  2.4096000000e-03  6.4453000000e-03 -4.6578000000e-03  2.2702000000e-03 -1.2380000000e-03  5.4240000000e-04 -2.6829000000e-03 -4.5745000000e-03  3.3807000000e-03  2.1640000000e-04
-
-JOB 20
-COORDS -1.3073170000e+00 -6.5986400000e-01  3.2316300000e-01 -1.9458160000e+00 -1.1800230000e+00  8.1100100000e-01 -1.7589720000e+00 -4.2371100000e-01 -4.8706600000e-01  1.4118800000e+00  6.5867400000e-01 -3.5437500000e-01  5.5259100000e-01  3.1689800000e-01 -1.0730600000e-01  1.6088390000e+00  1.3171880000e+00  3.1180800000e-01
-ENERGY -1.526602960909e+02
-FORCES -5.0102000000e-03 -3.2158000000e-03  4.2880000000e-04  1.5194000000e-03  2.4119000000e-03 -3.0514000000e-03  2.9630000000e-03 -6.8620000000e-04  4.2545000000e-03 -5.0926000000e-03 -1.3508000000e-03  5.3001000000e-03  6.1007000000e-03  4.9029000000e-03 -4.6838000000e-03 -4.8040000000e-04 -2.0619000000e-03 -2.2481000000e-03
-
-JOB 21
-COORDS  7.0833600000e-01  1.3422600000e+00  2.6713400000e-01 -1.1049100000e-01  1.2211150000e+00  7.4784000000e-01  1.2832090000e+00  1.7966360000e+00  8.8300300000e-01 -6.5449900000e-01 -1.3313080000e+00 -3.8414800000e-01 -1.5885360000e+00 -1.5383910000e+00 -3.5376600000e-01 -3.2469900000e-01 -1.5830020000e+00  4.7847300000e-01
-ENERGY -1.526527184713e+02
-FORCES -3.1185000000e-03  4.5860000000e-04  2.6345000000e-03  3.9374000000e-03  1.7182000000e-03  2.4600000000e-05 -2.3891000000e-03 -3.0318000000e-03 -2.6359000000e-03  9.8000000000e-06 -2.6715000000e-03  2.8282000000e-03  4.1644000000e-03  2.2277000000e-03  2.1880000000e-04 -2.6040000000e-03  1.2989000000e-03 -3.0703000000e-03
-
-JOB 22
-COORDS -7.9146700000e-01  3.5657700000e-01  1.2587810000e+00 -1.5599860000e+00  7.1033000000e-02  1.7528210000e+00 -1.0816490000e+00  1.1432590000e+00  7.9709000000e-01  8.7290900000e-01 -4.2311700000e-01 -1.3146140000e+00  1.0297650000e+00  5.1119000000e-01 -1.1778760000e+00  3.3662300000e-01 -6.8830500000e-01 -5.6741500000e-01
-ENERGY -1.526587116935e+02
-FORCES -5.4790000000e-03  2.9504000000e-03  1.9255000000e-03  3.3753000000e-03  1.5588000000e-03 -2.4717000000e-03  2.2087000000e-03 -3.9300000000e-03  1.5346000000e-03 -2.5206000000e-03  2.7392000000e-03  7.5392000000e-03 -8.4350000000e-04 -2.2424000000e-03 -1.6515000000e-03  3.2591000000e-03 -1.0761000000e-03 -6.8761000000e-03
-
-JOB 23
-COORDS -1.3667210000e+00 -2.3452500000e-01  6.2382800000e-01 -1.9106960000e+00 -8.3237500000e-01  1.1109300000e-01 -1.9927640000e+00  3.1974200000e-01  1.0897580000e+00  1.4536300000e+00  2.3130600000e-01 -6.8689000000e-01  5.7628900000e-01  4.9777900000e-01 -4.1212400000e-01  1.9126920000e+00  3.7874000000e-02  1.3047000000e-01
-ENERGY -1.526599286833e+02
-FORCES -5.9495000000e-03 -2.2916000000e-03 -1.5800000000e-05  1.7406000000e-03  3.2336000000e-03  2.8552000000e-03  3.0282000000e-03 -2.5235000000e-03 -2.3379000000e-03 -5.4862000000e-03 -1.0441000000e-03  6.3938000000e-03  7.0845000000e-03  1.7436000000e-03 -3.9244000000e-03 -4.1760000000e-04  8.8190000000e-04 -2.9708000000e-03
-
-JOB 24
-COORDS -9.1344000000e-02  1.5819220000e+00  2.3946900000e-01  3.4957700000e-01  1.2087930000e+00 -5.2381000000e-01  5.8484700000e-01  1.6120960000e+00  9.1629100000e-01  3.9505000000e-02 -1.5820580000e+00 -2.8696400000e-01  6.5405900000e-01 -1.3391470000e+00  4.0553100000e-01 -8.2472000000e-01 -1.4216270000e+00  9.1994000000e-02
-ENERGY -1.526561875801e+02
-FORCES  4.6082000000e-03 -2.0955000000e-03 -2.5598000000e-03 -1.1585000000e-03  3.5309000000e-03  4.2118000000e-03 -2.8835000000e-03 -1.5779000000e-03 -2.4111000000e-03 -3.1998000000e-03  3.2524000000e-03  6.0154000000e-03 -9.1110000000e-04 -4.8090000000e-04 -3.3307000000e-03  3.5447000000e-03 -2.6291000000e-03 -1.9255000000e-03
-
-JOB 25
-COORDS  7.3926200000e-01 -6.8473000000e-02 -1.4339150000e+00  2.1419000000e-01 -4.4033300000e-01 -2.1426120000e+00  1.6268100000e-01 -9.2048000000e-02 -6.7021900000e-01 -6.6987800000e-01  6.2388000000e-02  1.3798070000e+00 -9.3607800000e-01  9.7850300000e-01  1.4579240000e+00 -4.9736300000e-01 -2.1495500000e-01  2.2795570000e+00
-ENERGY -1.526606020201e+02
-FORCES -4.7334000000e-03 -2.1544000000e-03  3.9828000000e-03  1.5576000000e-03  1.3769000000e-03  2.6323000000e-03  3.1079000000e-03  1.4733000000e-03 -9.0747000000e-03  5.1590000000e-04  1.6509000000e-03  6.3667000000e-03  1.2672000000e-03 -4.5342000000e-03 -6.9980000000e-04 -1.7151000000e-03  2.1876000000e-03 -3.2072000000e-03
-
-JOB 26
-COORDS -1.1902330000e+00 -1.1259370000e+00  2.8059000000e-02 -9.1742900000e-01 -1.1657560000e+00  9.4469600000e-01 -7.7707000000e-01 -3.3186200000e-01 -3.1101700000e-01  1.1231480000e+00  1.0823980000e+00 -1.3930000000e-03  9.9978400000e-01  5.2556800000e-01 -7.7012800000e-01  1.7967360000e+00  1.7093870000e+00 -2.6482200000e-01
-ENERGY -1.526554403062e+02
-FORCES  2.9479000000e-03  5.0632000000e-03  5.2397000000e-03 -2.0685000000e-03 -1.4220000000e-03 -3.5548000000e-03  1.3213000000e-03 -4.3225000000e-03 -3.3698000000e-03  4.7695000000e-03  1.5982000000e-03 -4.2784000000e-03 -4.2756000000e-03  2.2897000000e-03  4.8124000000e-03 -2.6946000000e-03 -3.2066000000e-03  1.1509000000e-03
-
-JOB 27
-COORDS -1.2674250000e+00  5.5098500000e-01 -6.7865600000e-01 -1.7085350000e+00  9.9285400000e-01  4.6883000000e-02 -1.9593070000e+00  3.9647300000e-01 -1.3218170000e+00  1.3326240000e+00 -6.2535300000e-01  7.1167300000e-01  2.0571330000e+00 -2.5186700000e-01  2.0984900000e-01  5.9245900000e-01 -4.5487000000e-02  5.3238900000e-01
-ENERGY -1.526581721296e+02
-FORCES -6.0705000000e-03 -5.6090000000e-04 -2.3547000000e-03  3.6648000000e-03 -2.5153000000e-03 -2.7330000000e-03  2.1964000000e-03  1.6679000000e-03  3.0593000000e-03 -3.0739000000e-03  3.9601000000e-03 -5.6895000000e-03 -2.0282000000e-03 -1.4684000000e-03  2.0158000000e-03  5.3115000000e-03 -1.0834000000e-03  5.7022000000e-03
-
-JOB 28
-COORDS -2.8913300000e-01  1.5129170000e+00  6.7587300000e-01  1.2659400000e-01  6.5101600000e-01  6.9886300000e-01 -1.1945890000e+00  1.3359010000e+00  4.2083000000e-01  3.1392100000e-01 -1.3949550000e+00 -6.2895900000e-01 -3.1067200000e-01 -1.7042890000e+00 -1.2850280000e+00  9.9036900000e-01 -2.0717220000e+00 -6.0372100000e-01
-ENERGY -1.526586667529e+02
-FORCES -9.7270000000e-04 -7.4486000000e-03 -2.8465000000e-03 -1.2061000000e-03  6.6155000000e-03  3.3234000000e-03  2.3230000000e-03  1.5442000000e-03  8.8350000000e-04  2.9940000000e-04 -4.4541000000e-03 -4.0723000000e-03  2.7170000000e-03  8.5300000000e-04  2.9902000000e-03 -3.1605000000e-03  2.8899000000e-03 -2.7830000000e-04
-
-JOB 29
-COORDS -1.0485800000e+00  1.2425950000e+00 -2.7117200000e-01 -9.0721200000e-01  3.8528700000e-01  1.3041100000e-01 -1.8537460000e+00  1.5667960000e+00  1.3235200000e-01  1.0185690000e+00 -1.1953220000e+00  2.4822200000e-01  1.7538680000e+00 -6.4827500000e-01 -2.8014000000e-02  1.3625270000e+00 -2.0883330000e+00  2.2689800000e-01
-ENERGY -1.526593008123e+02
-FORCES -1.2876000000e-03 -4.0787000000e-03  3.2313000000e-03 -3.7570000000e-03  6.9678000000e-03 -1.6326000000e-03  2.9284000000e-03 -1.5478000000e-03 -1.3611000000e-03  5.6372000000e-03 -1.7478000000e-03 -1.8481000000e-03 -2.7163000000e-03 -3.4600000000e-03  1.5631000000e-03 -8.0480000000e-04  3.8664000000e-03  4.7500000000e-05
-
-JOB 30
-COORDS -1.1137940000e+00 -9.6001300000e-01  6.1156900000e-01 -1.1492930000e+00 -1.7630890000e+00  1.1312240000e+00 -1.7667210000e+00 -3.8596300000e-01  1.0120500000e+00  1.1777030000e+00  1.0105620000e+00 -6.1894500000e-01  2.6843900000e-01  7.1384700000e-01 -6.5677200000e-01  1.6082540000e+00  5.5781100000e-01 -1.3441170000e+00
-ENERGY -1.526571569271e+02
-FORCES -1.5726000000e-03 -2.5538000000e-03  5.4258000000e-03 -7.1730000000e-04  3.3337000000e-03 -1.9477000000e-03  3.1239000000e-03 -2.0503000000e-03 -2.5758000000e-03 -3.6525000000e-03 -5.9531000000e-03 -1.3440000000e-03  3.9117000000e-03  5.3609000000e-03 -1.9981000000e-03 -1.0932000000e-03  1.8627000000e-03  2.4398000000e-03
-
-JOB 31
-COORDS  1.4337520000e+00  5.8074900000e-01  5.9335400000e-01  9.3047500000e-01 -1.8875500000e-01  8.5945000000e-01  1.3402970000e+00  1.1928230000e+00  1.3233300000e+00 -1.4672330000e+00 -5.7893100000e-01 -6.3521100000e-01 -7.6198700000e-01 -4.5722400000e-01  4.3600000000e-04 -1.0186120000e+00 -6.8411500000e-01 -1.4742030000e+00
-ENERGY -1.526521415862e+02
-FORCES -5.3840000000e-04  8.8350000000e-04  5.7472000000e-03 -3.1250000000e-03  3.5453000000e-03 -4.8760000000e-03  6.0740000000e-04 -3.1878000000e-03 -3.5413000000e-03  6.2022000000e-03  2.6878000000e-03 -2.6455000000e-03 -3.8660000000e-04 -3.4335000000e-03  1.9656000000e-03 -2.7597000000e-03 -4.9520000000e-04  3.3499000000e-03
-
-JOB 32
-COORDS -1.0720390000e+00  9.8323800000e-01  6.5911300000e-01 -1.6044530000e+00  8.2071600000e-01  1.4378000000e+00 -8.2843700000e-01  1.9066870000e+00  7.2340300000e-01  1.1488230000e+00 -1.0399960000e+00 -6.7258200000e-01  1.1237400000e+00 -8.5677800000e-01 -1.6117490000e+00  2.3772000000e-01 -9.6465100000e-01 -3.8895400000e-01
-ENERGY -1.526576744678e+02
-FORCES  2.1780000000e-04  4.9354000000e-03  3.8055000000e-03  2.3999000000e-03  3.9190000000e-04 -3.4998000000e-03 -2.1155000000e-03 -3.5094000000e-03  8.4300000000e-05 -5.8461000000e-03  3.4829000000e-03 -9.6410000000e-04  5.1220000000e-04 -6.7310000000e-04  3.1570000000e-03  4.8316000000e-03 -4.6277000000e-03 -2.5829000000e-03
-
-JOB 33
-COORDS -1.6457150000e+00 -4.5516100000e-01  6.6131000000e-02 -7.2397200000e-01 -2.1368700000e-01 -2.5039000000e-02 -1.8870180000e+00 -1.5457600000e-01  9.4228900000e-01  1.5579910000e+00  3.9483600000e-01 -1.2784800000e-01  1.8412830000e+00  5.3056000000e-01  7.7634000000e-01  2.2233600000e+00  8.3534400000e-01 -6.5649500000e-01
-ENERGY -1.526593584267e+02
-FORCES  5.3483000000e-03  2.7520000000e-03  1.6022000000e-03 -8.4585000000e-03 -2.3146000000e-03  2.1704000000e-03  1.0327000000e-03 -1.0857000000e-03 -2.7705000000e-03  6.2060000000e-03  2.9368000000e-03 -2.2270000000e-04 -2.0838000000e-03 -4.3770000000e-04 -4.0063000000e-03 -2.0448000000e-03 -1.8509000000e-03  3.2268000000e-03
-
-JOB 34
-COORDS  1.0975600000e+00 -9.8662300000e-01  7.8897000000e-01  7.2659500000e-01 -2.0651800000e-01  1.2013440000e+00  8.2436300000e-01 -1.7095520000e+00  1.3537440000e+00 -1.0113050000e+00  1.0169850000e+00 -8.1054900000e-01 -1.9549160000e+00  1.1379450000e+00 -9.1636800000e-01 -7.9779100000e-01  2.8134600000e-01 -1.3845520000e+00
-ENERGY -1.526572768872e+02
-FORCES -3.3671000000e-03  2.1644000000e-03  4.0478000000e-03  3.2478000000e-03 -4.8311000000e-03  8.1800000000e-05  8.1250000000e-04  2.7377000000e-03 -2.3885000000e-03 -1.9935000000e-03 -3.4784000000e-03 -3.8705000000e-03  3.8338000000e-03 -8.3190000000e-04  6.8580000000e-04 -2.5336000000e-03  4.2394000000e-03  1.4436000000e-03
-
-JOB 35
-COORDS  7.9079400000e-01 -1.1744300000e+00  1.0441270000e+00  1.5448060000e+00 -5.8478300000e-01  1.0478870000e+00  2.6172300000e-01 -8.8272600000e-01  3.0168200000e-01 -7.6054700000e-01  1.0848420000e+00 -9.7091200000e-01 -5.4288900000e-01  1.8299010000e+00 -1.5310410000e+00 -1.7170940000e+00  1.0503090000e+00 -9.7843400000e-01
-ENERGY -1.526587053036e+02
-FORCES -2.8230000000e-04  6.0739000000e-03 -4.5259000000e-03 -1.6741000000e-03 -2.6885000000e-03  6.5080000000e-04  2.4505000000e-03 -5.0053000000e-03  4.5188000000e-03 -3.4712000000e-03  4.5154000000e-03 -2.8052000000e-03 -1.3918000000e-03 -2.9418000000e-03  2.4576000000e-03  4.3689000000e-03  4.6400000000e-05 -2.9620000000e-04
-
-JOB 36
-COORDS  1.5914240000e+00  3.5418000000e-01  3.7470900000e-01  1.8859940000e+00  9.8745800000e-01  1.0292470000e+00  2.2550710000e+00 -3.3538300000e-01  3.9224800000e-01 -1.6936680000e+00 -3.5487900000e-01 -3.8662400000e-01 -1.0660900000e+00 -1.0208270000e+00 -6.6750000000e-01 -1.2700730000e+00  4.7756400000e-01 -5.9599700000e-01
-ENERGY -1.526563889358e+02
-FORCES  4.1732000000e-03 -1.7240000000e-04  4.0436000000e-03 -9.5170000000e-04 -2.5719000000e-03 -3.0225000000e-03 -2.9967000000e-03  2.7387000000e-03 -2.6900000000e-04  7.7018000000e-03  1.4431000000e-03 -7.3310000000e-04 -3.7234000000e-03  8.4170000000e-04  1.2560000000e-04 -4.2031000000e-03 -2.2792000000e-03 -1.4450000000e-04
-
-JOB 37
-COORDS  1.3567370000e+00 -9.3713000000e-01  4.2443500000e-01  1.5602940000e+00 -4.9894700000e-01 -4.0187800000e-01  2.1743760000e+00 -1.3664520000e+00  6.7619200000e-01 -1.4140320000e+00  9.7640600000e-01 -4.5013000000e-01 -6.9507200000e-01  8.2814600000e-01  1.6415500000e-01 -2.1308610000e+00  4.3774700000e-01 -1.1511700000e-01
-ENERGY -1.526577786932e+02
-FORCES  5.4171000000e-03 -1.5505000000e-03 -2.6197000000e-03 -9.2750000000e-04 -1.1918000000e-03  4.8546000000e-03 -3.3146000000e-03  1.6507000000e-03 -1.5688000000e-03  2.5720000000e-04 -4.1829000000e-03  5.1436000000e-03 -3.4690000000e-03  2.7052000000e-03 -4.3211000000e-03  2.0368000000e-03  2.5693000000e-03 -1.4886000000e-03
-
-JOB 38
-COORDS  4.6416400000e-01  8.9524800000e-01 -1.4447940000e+00  1.2351990000e+00  4.6156500000e-01 -1.0792030000e+00  4.5205600000e-01  1.7560910000e+00 -1.0264220000e+00 -5.1714200000e-01 -9.8313300000e-01  1.3825670000e+00 -1.1309520000e+00 -2.6666900000e-01  1.2208630000e+00  2.3294000000e-01 -5.6558600000e-01  1.8059620000e+00
-ENERGY -1.526536257361e+02
-FORCES  3.6072000000e-03  1.3710000000e-04  2.7148000000e-03 -2.5552000000e-03  3.0129000000e-03 -1.5058000000e-03 -5.5530000000e-04 -3.9176000000e-03 -8.5170000000e-04 -4.5830000000e-04  5.2068000000e-03 -6.5050000000e-04  2.2677000000e-03 -2.8879000000e-03  2.4453000000e-03 -2.3062000000e-03 -1.5512000000e-03 -2.1520000000e-03
-
-JOB 39
-COORDS  5.6721300000e-01 -1.5791630000e+00 -3.3487400000e-01  1.1969320000e+00 -1.5960200000e+00 -1.0555690000e+00  1.0350480000e+00 -1.9723680000e+00  4.0184300000e-01 -6.2011900000e-01  1.6656550000e+00  3.5016600000e-01 -1.4468400000e+00  1.1835620000e+00  3.6888900000e-01  3.4445000000e-02  1.0102950000e+00  1.0875100000e-01
-ENERGY -1.526587003683e+02
-FORCES  4.8032000000e-03 -4.8633000000e-03 -2.9630000000e-04 -2.7694000000e-03  7.3740000000e-04  3.6481000000e-03 -1.9871000000e-03  2.0665000000e-03 -3.5323000000e-03 -4.1480000000e-04 -7.3512000000e-03 -1.4746000000e-03  2.1458000000e-03  2.9289000000e-03  3.6750000000e-04 -1.7778000000e-03  6.4816000000e-03  1.2876000000e-03
-
-JOB 40
-COORDS -9.1596400000e-01 -1.1909970000e+00 -9.9427000000e-01 -3.0811500000e-01 -6.2469800000e-01 -5.1881600000e-01 -6.6904900000e-01 -2.0788790000e+00 -7.3555900000e-01  8.1923600000e-01  1.1896500000e+00  9.1124100000e-01  9.1037700000e-01  1.0071170000e+00  1.8464450000e+00  1.5574810000e+00  1.7631820000e+00  7.0560500000e-01
-ENERGY -1.526588571672e+02
-FORCES  4.2024000000e-03  9.5610000000e-04  3.7544000000e-03 -4.1501000000e-03 -6.0648000000e-03 -4.1556000000e-03 -9.1760000000e-04  3.1034000000e-03 -7.8330000000e-04  3.9766000000e-03  3.9382000000e-03  3.9547000000e-03 -1.2000000000e-05  5.9250000000e-04 -4.2861000000e-03 -3.0993000000e-03 -2.5253000000e-03  1.5160000000e-03
-
-JOB 41
-COORDS  1.2077550000e+00 -9.2127800000e-01  7.7402400000e-01  1.3226890000e+00 -1.8595180000e+00  6.2327300000e-01  1.8742200000e+00 -6.9927100000e-01  1.4242310000e+00 -1.2407290000e+00  9.3881400000e-01 -8.5020900000e-01 -2.1250750000e+00  9.8310600000e-01 -4.8661400000e-01 -6.9364600000e-01  1.3883660000e+00 -2.0613200000e-01
-ENERGY -1.526541464799e+02
-FORCES  2.9167000000e-03 -4.5052000000e-03  8.3490000000e-04 -3.2000000000e-05  3.8121000000e-03  1.2235000000e-03 -3.2992000000e-03 -1.7640000000e-04 -2.8006000000e-03  6.0540000000e-04  5.7300000000e-04  5.4119000000e-03  3.2433000000e-03 -2.1960000000e-04 -1.5735000000e-03 -3.4343000000e-03  5.1610000000e-04 -3.0961000000e-03
-
-JOB 42
-COORDS  1.2102200000e-01  1.4464620000e+00 -1.1633820000e+00 -2.4526000000e-02  7.0568400000e-01 -5.7491400000e-01  5.4161700000e-01  2.1091550000e+00 -6.1550400000e-01 -1.4384300000e-01 -1.3826540000e+00  1.1117290000e+00 -7.6681400000e-01 -2.0459470000e+00  8.1477200000e-01  6.3480000000e-01 -1.8798120000e+00  1.3622880000e+00
-ENERGY -1.526589178402e+02
-FORCES  7.7970000000e-04 -1.8742000000e-03  5.9681000000e-03  4.6230000000e-04  5.7894000000e-03 -5.2318000000e-03 -1.2810000000e-03 -2.0609000000e-03 -2.2624000000e-03  6.5340000000e-04 -6.7884000000e-03  1.2038000000e-03  2.9946000000e-03  2.9380000000e-03  1.2776000000e-03 -3.6089000000e-03  1.9961000000e-03 -9.5540000000e-04
-
-JOB 43
-COORDS -1.2712600000e+00  7.9867200000e-01  1.1190460000e+00 -1.3983870000e+00  6.4116300000e-01  1.8349100000e-01 -1.1453850000e+00 -7.2898000000e-02  1.4942170000e+00  1.2562060000e+00 -7.1858900000e-01 -1.0329210000e+00  1.2820770000e+00 -3.0882800000e-01 -1.8975930000e+00  1.5460490000e+00 -1.6181100000e+00 -1.1848560000e+00
-ENERGY -1.526551786682e+02
-FORCES  2.6645000000e-03 -5.3477000000e-03 -3.4933000000e-03 -1.5499000000e-03  1.7650000000e-03  3.5684000000e-03 -1.7587000000e-03  3.3356000000e-03 -2.4240000000e-04  2.9543000000e-03 -1.7046000000e-03 -4.4447000000e-03 -7.5430000000e-04 -1.9041000000e-03  3.7285000000e-03 -1.5559000000e-03  3.8560000000e-03  8.8350000000e-04
-
-JOB 44
-COORDS  3.4666700000e-01 -2.1864700000e-01 -1.8214780000e+00  1.1060270000e+00 -1.2866900000e-01 -1.2457100000e+00  5.9921000000e-02  6.8024200000e-01 -1.9827440000e+00 -3.3162300000e-01  1.2663000000e-01  1.7567090000e+00 -1.3937100000e-01  8.6846000000e-01  2.3302570000e+00 -1.2789230000e+00  8.4340000000e-03  1.8266000000e+00
-ENERGY -1.526548570812e+02
-FORCES  1.6515000000e-03  3.9479000000e-03  4.3886000000e-03 -1.7819000000e-03 -2.2370000000e-04 -4.2453000000e-03  9.6730000000e-04 -3.2770000000e-03 -1.7880000000e-04 -4.3462000000e-03  1.4914000000e-03  2.6071000000e-03 -4.5510000000e-04 -2.8925000000e-03 -2.9847000000e-03  3.9644000000e-03  9.5390000000e-04  4.1310000000e-04
-
-JOB 45
-COORDS -1.8236600000e-01  1.1387590000e+00  1.4020830000e+00 -4.2718000000e-01  2.0123460000e+00  1.7072770000e+00 -1.0083060000e+00  7.4009000000e-01  1.1280070000e+00  2.5175000000e-01 -1.1767950000e+00 -1.4705740000e+00  6.3162000000e-02 -1.8058020000e+00 -7.7414200000e-01  4.2347800000e-01 -3.5467000000e-01 -1.0113870000e+00
-ENERGY -1.526568843121e+02
-FORCES -4.9061000000e-03  3.6983000000e-03  2.0175000000e-03  7.4320000000e-04 -3.9080000000e-03 -1.1436000000e-03  4.6702000000e-03  1.1357000000e-03  4.1460000000e-04  1.7771000000e-03  1.3251000000e-03  5.2671000000e-03 -1.9230000000e-04  2.4065000000e-03 -2.9378000000e-03 -2.0921000000e-03 -4.6576000000e-03 -3.6178000000e-03
-
-JOB 46
-COORDS -5.8273100000e-01  2.1122900000e-01 -1.7724840000e+00 -1.2679760000e+00 -4.4893500000e-01 -1.6683010000e+00  2.2075000000e-01 -2.3176200000e-01 -1.4997020000e+00  5.8822700000e-01 -1.3578500000e-01  1.6916400000e+00 -2.7323400000e-01 -3.3690100000e-01  2.0572470000e+00  1.1975520000e+00 -2.9194500000e-01  2.4131450000e+00
-ENERGY -1.526552283687e+02
-FORCES  1.7990000000e-03 -4.2455000000e-03  3.2894000000e-03  2.1406000000e-03  2.5827000000e-03 -4.4830000000e-04 -3.5963000000e-03  1.2887000000e-03 -3.5080000000e-03 -1.5215000000e-03 -3.7920000000e-04  5.3129000000e-03  3.7741000000e-03  1.4770000000e-04 -1.4415000000e-03 -2.5960000000e-03  6.0560000000e-04 -3.2044000000e-03
-
-JOB 47
-COORDS  1.4744500000e+00 -1.0026260000e+00 -2.4011400000e-01  2.3365500000e+00 -5.9242500000e-01 -3.0903900000e-01  1.5857290000e+00 -1.8640800000e+00 -6.4228900000e-01 -1.5346470000e+00  1.0293150000e+00  3.2970000000e-01 -2.2206040000e+00  1.1793550000e+00 -3.2082500000e-01 -7.4243600000e-01  8.8114500000e-01 -1.8671100000e-01
-ENERGY -1.526564749075e+02
-FORCES  4.8034000000e-03 -3.6946000000e-03 -1.1126000000e-03 -4.0469000000e-03 -1.4876000000e-03 -4.5100000000e-05 -7.0800000000e-05  3.8015000000e-03  1.5502000000e-03  2.0495000000e-03 -1.4877000000e-03 -4.5316000000e-03  2.5417000000e-03 -6.1750000000e-04  2.4391000000e-03 -5.2769000000e-03  3.4859000000e-03  1.7000000000e-03
-
-JOB 48
-COORDS -1.3421900000e+00  1.1528450000e+00 -5.9096100000e-01 -2.1114610000e+00  1.2107540000e+00 -1.1576190000e+00 -1.6654110000e+00  7.4282600000e-01  2.1131400000e-01  1.4157730000e+00 -1.0686220000e+00  5.9134900000e-01  9.7313500000e-01 -1.7221470000e+00  1.1328360000e+00  1.6330160000e+00 -1.5336830000e+00 -2.1658400000e-01
-ENERGY -1.526531806184e+02
-FORCES -3.5997000000e-03 -1.6261000000e-03  1.9932000000e-03  3.4513000000e-03 -4.9750000000e-04  2.1280000000e-03  1.2940000000e-04  1.8381000000e-03 -3.4098000000e-03 -7.5110000000e-04 -4.0465000000e-03 -2.4182000000e-03  1.2166000000e-03  3.0311000000e-03 -1.9951000000e-03 -4.4640000000e-04  1.3010000000e-03  3.7020000000e-03
-
-JOB 49
-COORDS -1.8452690000e+00  2.5375000000e-01 -2.6113100000e-01 -1.7893810000e+00  1.0536260000e+00  2.6165700000e-01 -2.3497920000e+00 -3.5259500000e-01  2.8111900000e-01  1.8183980000e+00 -2.3395700000e-01  2.1953900000e-01  1.8935240000e+00 -1.1730470000e+00  5.0133000000e-02  2.7114690000e+00  9.8419000000e-02  1.2909100000e-01
-ENERGY -1.526533896745e+02
-FORCES -7.0400000000e-05  1.2892000000e-03  4.9158000000e-03 -1.4636000000e-03 -2.8851000000e-03 -2.2298000000e-03  1.9055000000e-03  2.0883000000e-03 -2.3615000000e-03  3.2185000000e-03 -3.0886000000e-03 -1.9784000000e-03  2.9400000000e-04  3.6826000000e-03  1.1760000000e-03 -3.8839000000e-03 -1.0863000000e-03  4.7790000000e-04
-
-JOB 50
-COORDS  1.8840480000e+00 -2.1849500000e-01  4.0233600000e-01  1.5690650000e+00  1.5066100000e-01 -4.2273400000e-01  2.5793080000e+00 -8.2378200000e-01  1.4450900000e-01 -1.8833270000e+00  3.0093100000e-01 -3.1800200000e-01 -1.3639530000e+00 -3.1245400000e-01 -8.3785000000e-01 -2.7133000000e+00 -1.5247100000e-01 -1.7034300000e-01
-ENERGY -1.526535078693e+02
-FORCES  1.9317000000e-03  2.2120000000e-04 -3.9347000000e-03  1.1084000000e-03 -2.7465000000e-03  2.8706000000e-03 -3.2544000000e-03  2.3713000000e-03  1.0865000000e-03 -1.3800000000e-03 -5.0840000000e-03 -2.6350000000e-04 -1.6616000000e-03  3.2955000000e-03  1.0215000000e-03  3.2558000000e-03  1.9425000000e-03 -7.8050000000e-04
-
-JOB 51
-COORDS  5.9807800000e-01  1.0288920000e+00  1.6331140000e+00  1.4131850000e+00  5.6857900000e-01  1.4332550000e+00 -8.7441000000e-02  4.7832400000e-01  1.2547340000e+00 -5.9088100000e-01 -9.4585300000e-01 -1.5396960000e+00 -1.3688130000e+00 -1.4623090000e+00 -1.7502330000e+00 -8.0830000000e-02 -9.3915900000e-01 -2.3496560000e+00
-ENERGY -1.526566984150e+02
-FORCES -1.1470000000e-04 -4.8470000000e-03 -4.0841000000e-03 -2.4079000000e-03  2.1345000000e-03  1.3865000000e-03  2.5935000000e-03  2.9468000000e-03  3.8803000000e-03 -1.1809000000e-03 -1.9934000000e-03 -5.4786000000e-03  3.3339000000e-03  2.1831000000e-03  9.6570000000e-04 -2.2238000000e-03 -4.2390000000e-04  3.3301000000e-03
-
-JOB 52
-COORDS -1.8830490000e+00  4.3552800000e-01 -6.1976000000e-02 -2.1216870000e+00  4.3789300000e-01 -9.8894900000e-01 -2.1860590000e+00  1.2821960000e+00  2.6600300000e-01  1.8955640000e+00 -5.4604400000e-01  9.6297000000e-02  1.2851640000e+00  1.7904600000e-01  2.3004200000e-01  2.7365120000e+00 -1.2295400000e-01 -7.7009000000e-02
-ENERGY -1.526555893271e+02
-FORCES -4.1256000000e-03  2.5509000000e-03 -2.9671000000e-03  1.0018000000e-03  4.6420000000e-04  4.1225000000e-03  2.0311000000e-03 -3.4999000000e-03 -1.4051000000e-03 -6.5460000000e-04  4.5099000000e-03  1.8600000000e-04  5.1596000000e-03 -2.4461000000e-03 -5.1880000000e-04 -3.4123000000e-03 -1.5790000000e-03  5.8240000000e-04
-
-JOB 53
-COORDS  1.4886540000e+00  1.1223480000e+00  8.1591300000e-01  7.6992700000e-01  1.0627760000e+00  1.4452880000e+00  1.0568640000e+00  1.1979410000e+00 -3.5013000000e-02 -1.4266160000e+00 -1.0637360000e+00 -8.1429600000e-01 -1.3025810000e+00 -1.4469440000e+00  5.4035000000e-02 -1.3324530000e+00 -1.8008790000e+00 -1.4176080000e+00
-ENERGY -1.526559459154e+02
-FORCES -5.4871000000e-03  1.3830000000e-04 -1.9647000000e-03  3.0482000000e-03 -1.8930000000e-04 -1.7836000000e-03  3.0011000000e-03  5.5400000000e-04  3.9758000000e-03  6.3610000000e-04 -5.7855000000e-03  6.1600000000e-04 -6.5060000000e-04  2.2276000000e-03 -3.4029000000e-03 -5.4770000000e-04  3.0549000000e-03  2.5595000000e-03
-
-JOB 54
-COORDS -6.1548000000e-02 -1.3043610000e+00  1.5302840000e+00 -8.6608700000e-01 -1.1952860000e+00  2.0372860000e+00  2.0800500000e-01 -4.1198200000e-01  1.3129540000e+00  1.2719400000e-01  1.2033510000e+00 -1.5385870000e+00 -2.7610200000e-01  1.8105850000e+00 -9.1822400000e-01 -1.6834200000e-01  1.5059970000e+00 -2.3972470000e+00
-ENERGY -1.526538418365e+02
-FORCES -1.7192000000e-03  4.1384000000e-03 -2.4520000000e-04  3.1697000000e-03 -2.7000000000e-04 -2.0026000000e-03 -1.5722000000e-03 -3.2381000000e-03  2.6515000000e-03 -3.0855000000e-03  3.5953000000e-03 -2.6223000000e-03  1.9805000000e-03 -3.2217000000e-03 -1.4499000000e-03  1.2268000000e-03 -1.0039000000e-03  3.6685000000e-03
-
-JOB 55
-COORDS -7.2818700000e-01  1.5125990000e+00 -1.1006230000e+00 -3.4407100000e-01  2.3377620000e+00 -8.0432500000e-01 -9.8936000000e-01  1.0665080000e+00 -2.9500300000e-01  6.9009900000e-01 -1.5814240000e+00  1.0755560000e+00  1.5175600000e+00 -1.1585910000e+00  1.3052350000e+00  4.2878100000e-01 -1.1667220000e+00  2.5338400000e-01
-ENERGY -1.526554465117e+02
-FORCES -8.8570000000e-04  3.3525000000e-03  4.4622000000e-03 -1.4680000000e-03 -3.6763000000e-03 -1.2973000000e-03  2.5700000000e-03  8.0710000000e-04 -4.2805000000e-03  3.5150000000e-03  2.4257000000e-03 -3.3713000000e-03 -3.6372000000e-03 -1.5768000000e-03 -5.7280000000e-04 -9.4100000000e-05 -1.3322000000e-03  5.0596000000e-03
-
-JOB 56
-COORDS  1.4944620000e+00 -7.4049400000e-01  1.2041050000e+00  1.3972130000e+00 -2.0304700000e-01  1.9901880000e+00  1.9787160000e+00 -1.8578300000e-01  5.9252900000e-01 -1.4898680000e+00  6.2626400000e-01 -1.2403710000e+00 -2.2669340000e+00  1.0882010000e+00 -1.5550360000e+00 -1.2290420000e+00  1.1040620000e+00 -4.5302700000e-01
-ENERGY -1.526536547480e+02
-FORCES  2.2305000000e-03  3.5489000000e-03  2.3940000000e-04 -1.2080000000e-04 -1.8748000000e-03 -3.5161000000e-03 -2.1162000000e-03 -1.9226000000e-03  3.0973000000e-03 -2.2029000000e-03  3.1515000000e-03  2.4776000000e-03  3.2600000000e-03 -1.9476000000e-03  1.3261000000e-03 -1.0506000000e-03 -9.5540000000e-04 -3.6242000000e-03
-
-JOB 57
-COORDS  7.9326400000e-01  8.3350000000e-01 -1.7345170000e+00  1.6668580000e+00  1.2219050000e+00 -1.7814820000e+00  6.2087900000e-01  7.4311700000e-01 -7.9731600000e-01 -7.9419600000e-01 -7.9125700000e-01  1.6655720000e+00 -7.6438500000e-01 -1.1623320000e+00  2.5474150000e+00 -1.3867180000e+00 -1.3674080000e+00  1.1826660000e+00
-ENERGY -1.526567416669e+02
-FORCES  2.4722000000e-03  9.1310000000e-04  4.6600000000e-03 -3.2692000000e-03 -1.4277000000e-03  3.6000000000e-05  1.3698000000e-03  1.1671000000e-03 -5.6797000000e-03 -2.8584000000e-03 -4.5032000000e-03  2.3206000000e-03 -3.0490000000e-04  1.3690000000e-03 -3.6490000000e-03  2.5904000000e-03  2.4818000000e-03  2.3122000000e-03
-
-JOB 58
-COORDS  1.2720070000e+00 -1.2759080000e+00  9.4981000000e-01  1.3364870000e+00 -8.1839400000e-01  1.7881150000e+00  1.0031730000e+00 -2.1648550000e+00  1.1816170000e+00 -1.3218730000e+00  1.2862140000e+00 -1.0148130000e+00 -8.8282900000e-01  2.0813340000e+00 -7.1272600000e-01 -6.3181600000e-01  6.2309100000e-01 -1.0327500000e+00
-ENERGY -1.526563960480e+02
-FORCES -6.3810000000e-04 -2.6888000000e-03  5.2432000000e-03 -1.6750000000e-04 -1.7489000000e-03 -3.6649000000e-03  1.3028000000e-03  3.7550000000e-03 -8.7220000000e-04  5.3899000000e-03 -4.6470000000e-04  1.4189000000e-03 -1.9275000000e-03 -2.7322000000e-03 -1.0495000000e-03 -3.9596000000e-03  3.8796000000e-03 -1.0754000000e-03
-
-JOB 59
-COORDS  1.7772910000e+00  9.5436600000e-01 -5.3975300000e-01  1.9260880000e+00  1.6736470000e+00 -1.1535340000e+00  1.0129890000e+00  4.9556900000e-01 -8.8843500000e-01 -1.7070470000e+00 -9.6687000000e-01  6.5332100000e-01 -2.2753340000e+00 -3.0612900000e-01  2.5746300000e-01 -1.7442650000e+00 -1.7084510000e+00  4.9249000000e-02
-ENERGY -1.526541284303e+02
-FORCES -3.0314000000e-03  4.8800000000e-04 -3.0674000000e-03 -7.7420000000e-04 -2.9041000000e-03  2.4872000000e-03  3.8593000000e-03  2.4614000000e-03 -4.7700000000e-05 -3.6876000000e-03 -9.4080000000e-04 -2.6628000000e-03  2.9939000000e-03 -2.7648000000e-03  1.1332000000e-03  6.4000000000e-04  3.6603000000e-03  2.1574000000e-03
-
-JOB 60
-COORDS  1.2892920000e+00  1.2888910000e+00 -1.0338030000e+00  8.1501200000e-01  2.0780160000e+00 -1.2956630000e+00  1.4981080000e+00  1.4297320000e+00 -1.1033600000e-01 -1.2281780000e+00 -1.3731060000e+00  1.0503720000e+00 -2.0540990000e+00 -8.9759500000e-01  1.1396800000e+00 -1.0792600000e+00 -1.4201760000e+00  1.0599900000e-01
-ENERGY -1.526553591490e+02
-FORCES -4.3580000000e-04  3.9174000000e-03  3.3686000000e-03  1.6360000000e-03 -3.3837000000e-03  1.0053000000e-03 -6.8350000000e-04 -3.6300000000e-05 -4.3044000000e-03 -2.2720000000e-03  1.6673000000e-03 -4.3121000000e-03  3.2794000000e-03 -1.7172000000e-03 -1.6840000000e-04 -1.5241000000e-03 -4.4750000000e-04  4.4110000000e-03
-
-JOB 61
-COORDS  1.9249580000e+00  2.5505800000e-01 -7.5754000000e-01  2.7846360000e+00  6.6963700000e-01 -8.3039900000e-01  2.1066680000e+00 -6.1221300000e-01 -3.9552600000e-01 -2.0016780000e+00 -2.7710200000e-01  7.7003500000e-01 -1.1038530000e+00  5.1825000000e-02  8.1418600000e-01 -2.4535510000e+00  3.3578400000e-01  1.9002400000e-01
-ENERGY -1.526561078337e+02
-FORCES  5.3223000000e-03 -2.0155000000e-03  3.1940000000e-04 -3.5387000000e-03 -1.8709000000e-03  2.9090000000e-04 -1.0126000000e-03  4.0647000000e-03 -1.1050000000e-03  2.5579000000e-03  4.3227000000e-03 -2.9357000000e-03 -4.5365000000e-03 -2.0703000000e-03  9.3090000000e-04  1.2076000000e-03 -2.4306000000e-03  2.4995000000e-03
-
-JOB 62
-COORDS -1.7583790000e+00  8.7802100000e-01  1.0325500000e+00 -1.6485170000e+00  2.6424000000e-01  3.0630300000e-01 -1.1459700000e+00  1.5883460000e+00  8.4117300000e-01  1.6764080000e+00 -8.9963200000e-01 -9.1966300000e-01  1.7902280000e+00 -8.5407000000e-02 -1.4098810000e+00  2.2065100000e+00 -1.5408520000e+00 -1.3930140000e+00
-ENERGY -1.526547751408e+02
-FORCES  3.9406000000e-03 -6.8450000000e-04 -3.6231000000e-03 -1.5781000000e-03  3.2807000000e-03  2.8091000000e-03 -2.6902000000e-03 -2.2353000000e-03  6.0140000000e-04  3.7626000000e-03 -6.3300000000e-05 -3.9308000000e-03 -1.2230000000e-03 -3.1317000000e-03  2.2504000000e-03 -2.2120000000e-03  2.8341000000e-03  1.8931000000e-03
-
-JOB 63
-COORDS -5.9042700000e-01 -5.2484100000e-01 -2.1053980000e+00  3.4670900000e-01 -3.3038800000e-01 -2.0914410000e+00 -9.7225000000e-01  8.8909000000e-02 -1.4779010000e+00  5.0340800000e-01  4.5841300000e-01  2.0310130000e+00  9.8698400000e-01 -2.9339000000e-02  2.6977100000e+00  9.5359300000e-01  1.3013890000e+00  1.9766390000e+00
-ENERGY -1.526550854710e+02
-FORCES  2.3432000000e-03  3.0306000000e-03  4.1529000000e-03 -3.4945000000e-03 -6.5520000000e-04 -8.7270000000e-04  1.1166000000e-03 -2.0245000000e-03 -3.7657000000e-03  3.8847000000e-03  8.9990000000e-04  3.6112000000e-03 -1.8744000000e-03  2.3056000000e-03 -2.7333000000e-03 -1.9756000000e-03 -3.5564000000e-03 -3.9240000000e-04
-
-JOB 64
-COORDS  8.0273700000e-01 -1.9417080000e+00  4.4874700000e-01  5.0372000000e-01 -2.7428450000e+00  1.8630000000e-02  1.7511720000e+00 -2.0482470000e+00  5.2191100000e-01 -8.1598100000e-01  2.0454160000e+00 -4.1362300000e-01 -1.7225190000e+00  1.7540870000e+00 -5.1133700000e-01 -2.9167800000e-01  1.2715300000e+00 -6.1962800000e-01
-ENERGY -1.526557476625e+02
-FORCES  3.1644000000e-03 -4.6094000000e-03 -5.8020000000e-04  1.1701000000e-03  3.5641000000e-03  1.6370000000e-03 -4.0812000000e-03  4.2050000000e-04 -5.6270000000e-04 -1.1350000000e-03 -5.4505000000e-03 -4.4840000000e-04  3.2431000000e-03  1.4934000000e-03  1.1650000000e-04 -2.3614000000e-03  4.5820000000e-03 -1.6220000000e-04
-
-JOB 65
-COORDS -1.8426380000e+00  6.6071000000e-01 -1.1994470000e+00 -2.1198440000e+00  1.5768400000e+00 -1.2091890000e+00 -1.7337770000e+00  4.5277200000e-01 -2.7147000000e-01  1.8775420000e+00 -7.3848700000e-01  1.1872630000e+00  2.1051100000e+00  1.6899900000e-01  9.8499000000e-01  1.1074150000e+00 -9.1866900000e-01  6.4812300000e-01
-ENERGY -1.526543940833e+02
-FORCES -2.0413000000e-03  3.4045000000e-03  3.4428000000e-03  1.3112000000e-03 -3.9040000000e-03  8.4300000000e-05  7.9640000000e-04  4.7960000000e-04 -4.0750000000e-03 -1.5321000000e-03  2.6726000000e-03 -3.9314000000e-03 -1.1279000000e-03 -3.6227000000e-03  1.2778000000e-03  2.5937000000e-03  9.7000000000e-04  3.2015000000e-03
-
-JOB 66
-COORDS  1.1353660000e+00 -1.1537900000e+00  1.7202430000e+00  2.2519900000e-01 -1.4112220000e+00  1.8670660000e+00  1.0836740000e+00 -2.4173700000e-01  1.4343780000e+00 -1.0710420000e+00  1.1761340000e+00 -1.7135510000e+00 -1.6037760000e+00  7.7632200000e-01 -1.0261090000e+00 -9.0067000000e-01  4.6388700000e-01 -2.3299200000e+00
-ENERGY -1.526543517714e+02
-FORCES -3.3854000000e-03  3.1088000000e-03 -3.9530000000e-04  3.4396000000e-03  1.0392000000e-03 -9.5370000000e-04 -6.9100000000e-05 -4.2889000000e-03  1.5552000000e-03 -1.8175000000e-03 -4.5912000000e-03 -7.6940000000e-04  2.6917000000e-03  1.6343000000e-03 -2.1552000000e-03 -8.5930000000e-04  3.0977000000e-03  2.7186000000e-03
-
-JOB 67
-COORDS  1.1532970000e+00 -9.6664400000e-01 -1.7500350000e+00  4.8278200000e-01 -1.4945630000e+00 -2.1835590000e+00  1.4645940000e+00 -3.6878500000e-01 -2.4296600000e+00 -1.1103530000e+00  9.7602300000e-01  1.8698540000e+00 -7.4064800000e-01  1.2280210000e+00  1.0236590000e+00 -1.9016490000e+00  4.8467000000e-01  1.6492770000e+00
-ENERGY -1.526545425394e+02
-FORCES -6.7490000000e-04 -5.1710000000e-04 -4.9684000000e-03  2.5411000000e-03  2.5038000000e-03  1.9500000000e-03 -1.6004000000e-03 -2.2874000000e-03  3.0401000000e-03 -8.3240000000e-04 -1.6425000000e-03 -4.8034000000e-03 -2.2423000000e-03 -1.2980000000e-04  3.7869000000e-03  2.8089000000e-03  2.0731000000e-03  9.9480000000e-04
-
-JOB 68
-COORDS  1.6674650000e+00 -1.4630100000e-01 -1.7653680000e+00  9.0580100000e-01  4.2435100000e-01 -1.6631090000e+00  1.6840160000e+00 -6.7027400000e-01 -9.6448700000e-01 -1.6245980000e+00  1.7195900000e-01  1.6527100000e+00 -9.6934300000e-01  2.1467500000e-01  2.3491630000e+00 -2.3423220000e+00 -3.3718900000e-01  2.0293680000e+00
-ENERGY -1.526553350464e+02
-FORCES -3.9422000000e-03  2.0890000000e-04  3.9226000000e-03  3.7259000000e-03 -2.0987000000e-03 -9.7200000000e-04  6.6830000000e-04  1.9144000000e-03 -3.1714000000e-03 -1.1485000000e-03 -1.7827000000e-03  4.9547000000e-03 -2.4127000000e-03 -3.6640000000e-04 -3.2757000000e-03  3.1091000000e-03  2.1245000000e-03 -1.4583000000e-03
-
-JOB 69
-COORDS  9.3256500000e-01  1.1284110000e+00  1.9954630000e+00  1.0199100000e+00  1.4160920000e+00  1.0867040000e+00  8.7615000000e-02  1.4784820000e+00  2.2778510000e+00 -8.7302500000e-01 -1.1461200000e+00 -2.0205280000e+00 -1.5944600000e+00 -7.8001800000e-01 -1.5089310000e+00 -4.8989600000e-01 -1.8137190000e+00 -1.4515330000e+00
-ENERGY -1.526546836851e+02
-FORCES -2.5951000000e-03  3.1197000000e-03 -2.6118000000e-03 -5.7800000000e-04 -1.2870000000e-03  4.1176000000e-03  3.2615000000e-03 -1.7072000000e-03 -1.2528000000e-03 -1.4369000000e-03 -1.9367000000e-03  4.4297000000e-03  3.0336000000e-03 -1.0516000000e-03 -2.0945000000e-03 -1.6851000000e-03  2.8627000000e-03 -2.5883000000e-03
-
-JOB 70
-COORDS -1.2623740000e+00  7.9620900000e-01 -1.9387430000e+00 -2.0028080000e+00  4.5446000000e-01 -2.4399380000e+00 -1.5861470000e+00  8.5130100000e-01 -1.0396510000e+00  1.3570500000e+00 -8.0187600000e-01  1.8760330000e+00  1.6097730000e+00 -4.9503000000e-01  2.7467850000e+00  4.0739900000e-01 -6.8550300000e-01  1.8468330000e+00
-ENERGY -1.526531783326e+02
-FORCES -4.1621000000e-03 -1.1722000000e-03  1.3346000000e-03  3.0620000000e-03  1.4476000000e-03  2.1446000000e-03  1.2841000000e-03 -4.1560000000e-04 -3.2715000000e-03 -2.5900000000e-03  1.7227000000e-03  3.2504000000e-03 -1.1013000000e-03 -1.2844000000e-03 -3.6219000000e-03  3.5073000000e-03 -2.9800000000e-04  1.6380000000e-04
-
-JOB 71
-COORDS -3.0153000000e-01  2.1497390000e+00 -1.1409580000e+00  2.0638500000e-01  2.0730400000e+00 -3.3326300000e-01 -1.0779100000e-01  3.0298430000e+00 -1.4636250000e+00  2.5172500000e-01 -2.1759270000e+00  1.0555720000e+00 -3.4980200000e-01 -2.2016250000e+00  1.7997070000e+00  1.0865050000e+00 -2.4807920000e+00  1.4111430000e+00
-ENERGY -1.526538293608e+02
-FORCES  3.0267000000e-03  2.5573000000e-03  2.1501000000e-03 -2.0990000000e-03  1.1066000000e-03 -3.2881000000e-03 -8.1090000000e-04 -3.5738000000e-03  1.2858000000e-03  6.1700000000e-04 -1.7886000000e-03  4.2729000000e-03  2.6576000000e-03  2.2260000000e-04 -2.9761000000e-03 -3.3913000000e-03  1.4760000000e-03 -1.4444000000e-03
-
-JOB 72
-COORDS -1.8662180000e+00  6.5461700000e-01 -1.5808750000e+00 -1.5257480000e+00 -3.0804000000e-02 -2.1557750000e+00 -2.6764800000e+00  9.4090100000e-01 -2.0024770000e+00  1.8927160000e+00 -6.7219500000e-01  1.6890050000e+00  1.1115660000e+00 -3.0836800000e-01  1.2722730000e+00  2.6216360000e+00 -3.3526100000e-01  1.1680610000e+00
-ENERGY -1.526550829755e+02
-FORCES -2.6234000000e-03 -1.4904000000e-03 -4.3211000000e-03 -1.0998000000e-03  2.9079000000e-03  2.5782000000e-03  3.3804000000e-03 -1.2400000000e-03  1.5924000000e-03 -7.1080000000e-04  3.2604000000e-03 -3.7715000000e-03  3.8053000000e-03 -1.9222000000e-03  1.8783000000e-03 -2.7517000000e-03 -1.5158000000e-03  2.0437000000e-03
-
-JOB 73
-COORDS -1.4194650000e+00 -1.7418720000e+00 -1.2916980000e+00 -9.0309900000e-01 -1.4493240000e+00 -2.0427060000e+00 -1.8197180000e+00 -2.5620090000e+00 -1.5804960000e+00  1.4032830000e+00  1.8165170000e+00  1.3958160000e+00  1.9252390000e+00  1.8711890000e+00  5.9531300000e-01  1.0148840000e+00  9.4204400000e-01  1.3698060000e+00
-ENERGY -1.526546229622e+02
-FORCES -1.6490000000e-04 -2.4299000000e-03 -4.5038000000e-03 -1.7773000000e-03 -1.0943000000e-03  3.3472000000e-03  1.7308000000e-03  3.4040000000e-03  1.1157000000e-03  2.6700000000e-05 -3.6580000000e-03 -3.3055000000e-03 -1.9623000000e-03 -1.2770000000e-04  3.0985000000e-03  2.1470000000e-03  3.9060000000e-03  2.4790000000e-04
-
-JOB 74
-COORDS -2.1971390000e+00 -1.1805560000e+00 -1.0302330000e+00 -1.9701060000e+00 -9.4145600000e-01 -1.3161200000e-01 -3.0699340000e+00 -1.5676650000e+00 -9.6235600000e-01  2.2642310000e+00  1.2138730000e+00  9.2166400000e-01  2.1518490000e+00  1.5869410000e+00  1.7959760000e+00  1.8179910000e+00  3.6803900000e-01  9.6248300000e-01
-ENERGY -1.526536019066e+02
-FORCES -2.9891000000e-03 -4.4460000000e-04  3.6807000000e-03 -4.9800000000e-04 -1.1399000000e-03 -3.4584000000e-03  3.6478000000e-03  1.5939000000e-03 -2.3720000000e-04 -1.9964000000e-03 -1.9668000000e-03  3.4329000000e-03  3.0390000000e-04 -1.5960000000e-03 -3.5903000000e-03  1.5319000000e-03  3.5534000000e-03  1.7220000000e-04
-
-JOB 75
-COORDS  2.6006790000e+00 -4.6331000000e-01  7.8992600000e-01  3.3604530000e+00 -6.0426900000e-01  1.3548210000e+00  2.4798100000e+00 -1.2981470000e+00  3.3752300000e-01 -2.6629060000e+00  5.5024500000e-01 -8.5338800000e-01 -2.3265830000e+00  1.0000920000e+00 -7.8303000000e-02 -2.6366810000e+00 -3.7826000000e-01 -6.2225200000e-01
-ENERGY -1.526543731847e+02
-FORCES  2.9846000000e-03 -3.9032000000e-03  2.1280000000e-04 -3.1803000000e-03  5.4780000000e-04 -2.2849000000e-03  3.0400000000e-04  3.3578000000e-03  2.0424000000e-03  1.9798000000e-03 -1.7451000000e-03  4.2582000000e-03 -1.8291000000e-03 -1.8248000000e-03 -3.1698000000e-03 -2.5910000000e-04  3.5677000000e-03 -1.0587000000e-03
-
-JOB 76
-COORDS -2.7904180000e+00 -3.3932600000e-01  1.8273600000e-01 -3.0434900000e+00  3.8203400000e-01  7.5878000000e-01 -3.4952220000e+00 -9.8013700000e-01  2.7678000000e-01  2.8786080000e+00  3.5838900000e-01 -2.5689500000e-01  2.0884390000e+00 -1.4452200000e-01 -4.5424100000e-01  2.8828550000e+00  4.3405400000e-01  6.9730100000e-01
-ENERGY -1.526547687826e+02
-FORCES -4.3511000000e-03  4.2500000000e-04  2.5588000000e-03  1.1742000000e-03 -3.0514000000e-03 -2.2670000000e-03  2.9429000000e-03  2.6362000000e-03 -3.1810000000e-04 -3.6914000000e-03 -1.8270000000e-03  2.9300000000e-03  3.7479000000e-03  2.0305000000e-03  8.2420000000e-04  1.7750000000e-04 -2.1330000000e-04 -3.7279000000e-03
-
-JOB 77
-COORDS -1.7525400000e-01 -1.2086820000e+00  2.6437410000e+00 -1.6906500000e-01 -2.5405800000e-01  2.5738450000e+00  4.9456800000e-01 -1.4057180000e+00  3.2985280000e+00  1.4531100000e-01  1.2182490000e+00 -2.6593660000e+00  6.5178300000e-01  4.2772400000e-01 -2.4728510000e+00 -5.6341900000e-01  9.2023700000e-01 -3.2295610000e+00
-ENERGY -1.526545926683e+02
-FORCES  2.6169000000e-03  3.3171000000e-03  2.4801000000e-03  5.2900000000e-05 -4.0941000000e-03  4.0050000000e-04 -2.6878000000e-03  7.4760000000e-04 -2.7112000000e-03 -9.4890000000e-04 -4.6938000000e-03 -1.5487000000e-03 -1.9382000000e-03  3.4175000000e-03 -8.4910000000e-04  2.9051000000e-03  1.3057000000e-03  2.2283000000e-03
-
-JOB 78
-COORDS  3.1790000000e-02 -1.4003610000e+00  2.6315860000e+00 -8.4147900000e-01 -1.3911570000e+00  3.0234370000e+00  4.2374000000e-02 -2.1877740000e+00  2.0874350000e+00  6.0250000000e-03  1.4913920000e+00 -2.5761100000e+00  6.2519600000e-01  7.6799700000e-01 -2.4783430000e+00 -3.7412800000e-01  1.3660510000e+00 -3.4455960000e+00
-ENERGY -1.526538854903e+02
-FORCES -3.7531000000e-03 -2.9039000000e-03 -6.0640000000e-04  3.6160000000e-03 -1.9580000000e-04 -1.5133000000e-03  9.0000000000e-05  3.1617000000e-03  2.1082000000e-03  1.1749000000e-03 -3.4064000000e-03 -2.8878000000e-03 -2.6119000000e-03  2.8695000000e-03 -6.6520000000e-04  1.4841000000e-03  4.7480000000e-04  3.5644000000e-03
-
-JOB 79
-COORDS -9.5853000000e-02 -1.6456360000e+00  2.5166260000e+00 -6.3602300000e-01 -8.5905900000e-01  2.4408350000e+00  6.4064400000e-01 -1.3788930000e+00  3.0667640000e+00  6.7106000000e-02  1.5193950000e+00 -2.5353940000e+00 -2.5513300000e-01  2.1502370000e+00 -3.1791580000e+00  6.9727800000e-01  2.0128730000e+00 -2.0104240000e+00
-ENERGY -1.526538456634e+02
-FORCES  6.6090000000e-04  4.2945000000e-03  1.5703000000e-03  2.2810000000e-03 -3.1766000000e-03  6.2720000000e-04 -2.9519000000e-03 -1.0483000000e-03 -2.2070000000e-03  1.3831000000e-03  4.4371000000e-03 -6.9460000000e-04  1.3025000000e-03 -2.5697000000e-03  2.7000000000e-03 -2.6756000000e-03 -1.9369000000e-03 -1.9958000000e-03
-
-JOB 80
-COORDS  3.7047200000e-01 -6.7756500000e-01 -2.9461210000e+00 -2.1657200000e-01 -5.1984000000e-02 -3.3706900000e+00  8.6591500000e-01 -1.0683380000e+00 -3.6658880000e+00 -3.2079100000e-01  6.2093900000e-01  3.0478830000e+00 -1.7289600000e-01  1.0791100000e+00  2.2205760000e+00 -1.2098030000e+00  8.6740100000e-01  3.3031180000e+00
-ENERGY -1.526541228219e+02
-FORCES -2.4500000000e-04  6.5310000000e-04 -4.8036000000e-03  2.3676000000e-03 -2.4258000000e-03  1.9033000000e-03 -2.0754000000e-03  1.6676000000e-03  2.9043000000e-03 -2.8929000000e-03  2.5910000000e-03 -2.7379000000e-03 -7.2050000000e-04 -1.5509000000e-03  3.6822000000e-03  3.5662000000e-03 -9.3500000000e-04 -9.4820000000e-04
-
-JOB 81
-COORDS -1.9404950000e+00  1.8996690000e+00  1.7234360000e+00 -2.0221710000e+00  2.2104920000e+00  2.6250740000e+00 -2.4687060000e+00  1.1018830000e+00  1.6958330000e+00  2.0380090000e+00 -1.8651950000e+00 -1.7610950000e+00  1.4343740000e+00 -2.3879740000e+00 -1.2333070000e+00  1.4861900000e+00 -1.4700670000e+00 -2.4360780000e+00
-ENERGY -1.526539679072e+02
-FORCES -2.3881000000e-03 -1.8230000000e-03  3.7382000000e-03  2.6800000000e-04 -1.3035000000e-03 -3.7093000000e-03  2.1869000000e-03  3.1412000000e-03 -3.0700000000e-05 -4.7700000000e-03 -1.5280000000e-04 -4.8230000000e-04  2.4372000000e-03  1.9480000000e-03 -2.1605000000e-03  2.2659000000e-03 -1.8099000000e-03  2.6445000000e-03
-
-JOB 82
-COORDS  1.1344070000e+00  2.5833390000e+00  1.6377520000e+00  2.0699860000e+00  2.6637240000e+00  1.8233930000e+00  8.2237100000e-01  3.4865200000e+00  1.5818140000e+00 -1.2039130000e+00 -2.6353410000e+00 -1.6988860000e+00 -5.1221700000e-01 -3.2590190000e+00 -1.4779450000e+00 -1.2880520000e+00 -2.0845960000e+00 -9.2053300000e-01
-ENERGY -1.526544717523e+02
-FORCES  2.5693000000e-03  4.2092000000e-03  4.6220000000e-04 -3.8242000000e-03 -3.9380000000e-04 -7.2980000000e-04  1.2915000000e-03 -3.7077000000e-03  2.7810000000e-04  2.5879000000e-03  4.0600000000e-05  4.2222000000e-03 -2.8037000000e-03  2.3779000000e-03 -9.6780000000e-04  1.7910000000e-04 -2.5262000000e-03 -3.2649000000e-03
-
-JOB 83
-COORDS -1.4027070000e+00 -2.6903780000e+00 -1.4618310000e+00 -1.9067880000e+00 -3.4888510000e+00 -1.3050670000e+00 -1.4601490000e+00 -2.5520300000e+00 -2.4072370000e+00  1.4871510000e+00  2.7199030000e+00  1.5377130000e+00  1.4027720000e+00  2.9971260000e+00  6.2543000000e-01  5.9123800000e-01  2.5262800000e+00  1.8135440000e+00
-ENERGY -1.526541803175e+02
-FORCES -2.1784000000e-03 -2.9013000000e-03 -3.2067000000e-03  2.0160000000e-03  3.3072000000e-03 -6.5640000000e-04  1.9610000000e-04 -4.5620000000e-04  3.8734000000e-03 -4.1041000000e-03 -8.6200000000e-05 -2.7077000000e-03  4.1150000000e-04 -9.1330000000e-04  3.6986000000e-03  3.6590000000e-03  1.0498000000e-03 -1.0012000000e-03
-
-JOB 84
-COORDS -3.2905280000e+00 -8.5351000000e-02 -1.3925250000e+00 -3.1279570000e+00 -1.0257840000e+00 -1.3191170000e+00 -2.6714530000e+00  2.1395600000e-01 -2.0584020000e+00  3.2391320000e+00  1.3993500000e-01  1.4892420000e+00  3.8172660000e+00  4.4912300000e-01  7.9182200000e-01  2.7812700000e+00 -6.0879100000e-01  1.1071370000e+00
-ENERGY -1.526538114827e+02
-FORCES  3.0717000000e-03 -2.5229000000e-03 -2.3695000000e-03 -5.6130000000e-04  3.8322000000e-03 -3.1860000000e-04 -2.4602000000e-03 -1.3030000000e-03  2.7135000000e-03  4.8830000000e-04 -1.7290000000e-03 -4.2869000000e-03 -2.4032000000e-03 -1.2987000000e-03  2.8042000000e-03  1.8648000000e-03  3.0213000000e-03  1.4572000000e-03
-
-JOB 85
-COORDS  2.5321200000e+00 -1.6732380000e+00  1.8338810000e+00  1.6418080000e+00 -1.9547470000e+00  2.0444290000e+00  3.0038270000e+00 -1.7274370000e+00  2.6650170000e+00 -2.4561250000e+00  1.7010420000e+00 -1.8893310000e+00 -3.0210680000e+00  2.0254130000e+00 -2.5906550000e+00 -3.0352780000e+00  1.1736440000e+00 -1.3391820000e+00
-ENERGY -1.526537929479e+02
-FORCES -1.7773000000e-03 -1.2050000000e-03  4.1430000000e-03  3.6286000000e-03  1.0404000000e-03 -7.8060000000e-04 -1.9112000000e-03  1.8760000000e-04 -3.3819000000e-03 -4.5680000000e-03 -8.2810000000e-04 -6.8390000000e-04  2.2871000000e-03 -1.3200000000e-03  2.8852000000e-03  2.3408000000e-03  2.1251000000e-03 -2.1818000000e-03
-
-JOB 86
-COORDS -2.1916120000e+00 -2.7088710000e+00 -1.0200810000e+00 -2.3803000000e+00 -1.9577230000e+00 -1.5825800000e+00 -2.2561980000e+00 -2.3640030000e+00 -1.2950400000e-01  2.2101060000e+00  2.5828320000e+00  9.6840000000e-01  1.6030060000e+00  3.2885020000e+00  7.4548200000e-01  2.7357420000e+00  2.9362260000e+00  1.6860710000e+00
-ENERGY -1.526541001815e+02
-FORCES -6.9550000000e-04  4.5924000000e-03  1.3971000000e-03  5.9720000000e-04 -3.0849000000e-03  2.2333000000e-03  5.2200000000e-05 -1.4770000000e-03 -3.6231000000e-03 -9.3800000000e-05  4.3679000000e-03  2.0214000000e-03  2.3501000000e-03 -2.9636000000e-03  9.0210000000e-04 -2.2102000000e-03 -1.4347000000e-03 -2.9309000000e-03
-
-JOB 87
-COORDS  1.7780910000e+00  3.3210230000e+00 -2.2959860000e+00  2.1747810000e+00  3.0128240000e+00 -3.1107750000e+00  2.0398080000e+00  4.2396670000e+00 -2.2341150000e+00 -1.8265050000e+00 -3.3343350000e+00  2.2835390000e+00 -2.0517400000e+00 -4.1994210000e+00  2.6257780000e+00 -1.3926060000e+00 -2.8929110000e+00  3.0136810000e+00
-ENERGY -1.526539551426e+02
-FORCES  2.6234000000e-03  2.4088000000e-03 -3.1059000000e-03 -1.5821000000e-03  1.3037000000e-03  3.3261000000e-03 -1.0549000000e-03 -3.7361000000e-03 -2.2780000000e-04  9.1180000000e-04 -1.5956000000e-03  4.3387000000e-03  9.0560000000e-04  3.5022000000e-03 -1.4048000000e-03 -1.8037000000e-03 -1.8830000000e-03 -2.9263000000e-03
-
-JOB 88
-COORDS  3.5515300000e+00  2.8684320000e+00 -1.4830750000e+00  3.2006090000e+00  3.5779790000e+00 -9.4490300000e-01  4.4405410000e+00  3.1490480000e+00 -1.7002050000e+00 -3.5943500000e+00 -2.8990200000e+00  1.5254700000e+00 -3.4741600000e+00 -3.8164890000e+00  1.2804430000e+00 -3.5359550000e+00 -2.4201880000e+00  6.9870400000e-01
-ENERGY -1.526541509421e+02
-FORCES  2.2116000000e-03  4.0470000000e-03  1.3695000000e-03  1.4267000000e-03 -2.8896000000e-03 -2.2298000000e-03 -3.6274000000e-03 -1.1477000000e-03  8.6610000000e-04  8.3700000000e-04 -1.7543000000e-03 -4.4137000000e-03 -5.3190000000e-04  3.7123000000e-03  1.0190000000e-03 -3.1610000000e-04 -1.9677000000e-03  3.3890000000e-03
-
-JOB 89
-COORDS -2.6578510000e+00 -6.1189600000e-01 -4.1791080000e+00 -2.1315670000e+00  7.1902000000e-02 -4.5934480000e+00 -3.1059430000e+00 -1.0436810000e+00 -4.9064370000e+00  2.6064390000e+00  5.5773500000e-01  4.2627950000e+00  2.5271540000e+00  1.4465840000e+00  3.9165390000e+00  3.5491760000e+00  3.9439800000e-01  4.2910680000e+00
-ENERGY -1.526539782957e+02
-FORCES  3.1360000000e-04  9.9440000000e-04 -4.6274000000e-03 -2.1399000000e-03 -2.7718000000e-03  1.6847000000e-03  1.8319000000e-03  1.7738000000e-03  2.9582000000e-03  3.4605000000e-03  2.9330000000e-03 -1.3618000000e-03  3.6260000000e-04 -3.6040000000e-03  1.4435000000e-03 -3.8288000000e-03  6.7460000000e-04 -9.7300000000e-05
-
-JOB 0
-COORDS -1.7087100000e-01 -1.1513360000e+00  4.3649000000e-01 -6.8956900000e-01 -9.7101400000e-01  1.2204980000e+00  4.5111600000e-01 -1.8255210000e+00  7.1005700000e-01  9.4126000000e-02  1.2116770000e+00 -4.9832900000e-01  8.9872600000e-01  1.6895220000e+00 -6.9961200000e-01  3.8767900000e-01  3.2515600000e-01 -2.8823300000e-01
-ENERGY -1.526574195364e+02
-FORCES -1.9759000000e-03  1.0410200000e-02  6.3310000000e-04  3.5000000000e-03 -3.1314000000e-03 -3.3365000000e-03 -2.2236000000e-03  5.1321000000e-03 -1.3193000000e-03 -1.2407000000e-03 -1.6224500000e-02  5.3790000000e-03 -1.3406000000e-03 -4.7220000000e-03  1.6866000000e-03  3.2809000000e-03  8.5357000000e-03 -3.0429000000e-03
-
-JOB 1
-COORDS  7.2037000000e-01 -7.1490700000e-01  7.6272900000e-01  1.5916760000e+00 -7.6331800000e-01  3.6939000000e-01  4.2168000000e-01 -1.6236680000e+00  7.9694800000e-01 -8.1107600000e-01  7.9659500000e-01 -7.3749600000e-01 -2.6420100000e-01  4.4042600000e-01 -3.7279000000e-02 -3.0840300000e-01  6.4130100000e-01 -1.5371430000e+00
-ENERGY -1.526569499185e+02
-FORCES -6.5940000000e-03  2.1197000000e-03 -8.2474000000e-03 -5.4691000000e-03  5.8800000000e-05  5.7560000000e-04  3.3481000000e-03  4.1601000000e-03 -4.6110000000e-04  1.3003400000e-02 -1.2358800000e-02  9.9625000000e-03 -3.6824000000e-03  5.9441000000e-03 -3.7794000000e-03 -6.0590000000e-04  7.6200000000e-05  1.9498000000e-03
-
-JOB 2
-COORDS  6.3685500000e-01 -1.1995590000e+00 -1.4802600000e-01  4.4716800000e-01 -1.4343460000e+00 -1.0563900000e+00  4.1380000000e-03 -5.1185000000e-01  5.9237000000e-02 -6.3900100000e-01  1.1279490000e+00  1.6483600000e-01 -2.6517100000e-01  1.1930890000e+00  1.0436080000e+00 -2.0699300000e-01  1.8228570000e+00 -3.3185600000e-01
-ENERGY -1.526575905302e+02
-FORCES -1.0438200000e-02  1.4345600000e-02 -2.2416000000e-03  7.9750000000e-04  1.2158000000e-03  2.1209000000e-03  4.5186000000e-03 -6.5311000000e-03  5.4924000000e-03  9.0752000000e-03 -2.6870000000e-03 -2.3069000000e-03 -1.2812000000e-03 -3.8474000000e-03 -6.2410000000e-03 -2.6720000000e-03 -2.4959000000e-03  3.1762000000e-03
-
-JOB 3
-COORDS  5.7139500000e-01 -5.0197900000e-01  1.0647140000e+00  1.5168800000e+00 -3.6228000000e-01  1.0120410000e+00  3.1829700000e-01 -1.1701500000e-01  1.9037460000e+00 -6.5337200000e-01  4.5283800000e-01 -1.1527650000e+00 -2.2890400000e-01  1.3090510000e+00 -1.0983840000e+00 -2.6797800000e-01 -5.1998000000e-02 -4.3663500000e-01
-ENERGY -1.526592155177e+02
-FORCES -1.7227000000e-03  4.5413000000e-03 -2.2969000000e-03 -5.3869000000e-03  6.2930000000e-04  4.2500000000e-04  2.8774000000e-03 -1.5034000000e-03 -4.1147000000e-03  8.2080000000e-03 -3.6438000000e-03  1.4145300000e-02 -7.4940000000e-04 -1.9150000000e-03 -1.6320000000e-04 -3.2264000000e-03  1.8917000000e-03 -7.9954000000e-03
-
-JOB 4
-COORDS  2.1306800000e-01 -1.1225710000e+00  6.5981400000e-01 -5.6387000000e-01 -1.4833360000e+00  2.3267500000e-01  5.1762500000e-01 -1.8237460000e+00  1.2358610000e+00 -1.7856200000e-01  1.2102020000e+00 -7.2112300000e-01  2.3215500000e-01  3.9929000000e-01 -4.2118300000e-01 -8.0311500000e-01  1.4325400000e+00 -3.0666000000e-02
-ENERGY -1.526589609187e+02
-FORCES -4.6030000000e-04  2.2650000000e-04 -1.0341000000e-03  4.7647000000e-03  2.9347000000e-03  2.1951000000e-03 -3.3853000000e-03  2.5586000000e-03 -2.7257000000e-03  2.7839000000e-03 -7.9163000000e-03  9.9977000000e-03 -4.1102000000e-03  2.4787000000e-03 -5.5875000000e-03  4.0720000000e-04 -2.8220000000e-04 -2.8455000000e-03
-
-JOB 5
-COORDS -1.5174700000e-01  8.7495700000e-01  1.0624620000e+00  6.6693700000e-01  1.3686910000e+00  1.1095410000e+00 -7.8649100000e-01  1.4175830000e+00  1.5303170000e+00  1.4380400000e-01 -9.3826300000e-01 -1.1507710000e+00 -3.7856700000e-01 -2.4185400000e-01 -7.5280700000e-01  6.3209300000e-01 -1.3189980000e+00 -4.2080800000e-01
-ENERGY -1.526596751809e+02
-FORCES  2.1692000000e-03  3.1981000000e-03  1.2319000000e-03 -4.2201000000e-03 -2.3997000000e-03  5.6210000000e-04  3.2385000000e-03 -2.2846000000e-03 -2.7389000000e-03 -1.3750000000e-03  5.2405000000e-03  1.0791100000e-02 -2.0740000000e-04 -3.4051000000e-03 -6.4121000000e-03  3.9480000000e-04 -3.4910000000e-04 -3.4342000000e-03
-
-JOB 6
-COORDS  2.1065500000e-01  1.4007290000e+00  5.3336500000e-01  9.2823000000e-02  6.5516300000e-01 -5.5259000000e-02 -3.2980100000e-01  1.1925690000e+00  1.2954740000e+00 -1.8109800000e-01 -1.2700850000e+00 -5.1874300000e-01 -1.1961600000e-01 -2.0674690000e+00  7.2140000000e-03 -6.3688000000e-02 -1.5679520000e+00 -1.4208090000e+00
-ENERGY -1.526602695980e+02
-FORCES -3.4814000000e-03 -1.0689200000e-02 -1.6093000000e-03  1.1963000000e-03  8.4856000000e-03  6.5720000000e-04  1.8425000000e-03  1.1777000000e-03 -1.2865000000e-03  1.5612000000e-03 -3.0404000000e-03  1.0316000000e-03 -8.1930000000e-04  2.7878000000e-03 -3.3981000000e-03 -2.9940000000e-04  1.2785000000e-03  4.6051000000e-03
-
-JOB 7
-COORDS  3.1743500000e-01  1.2674380000e+00  7.0864500000e-01  1.5258400000e-01  8.6574200000e-01  1.5616960000e+00 -4.1180400000e-01  9.7617600000e-01  1.6127900000e-01 -2.9093000000e-01 -1.2570520000e+00 -7.8145500000e-01  5.8329100000e-01 -1.2931310000e+00 -3.9329400000e-01 -8.1762500000e-01 -7.7700200000e-01 -1.4241200000e-01
-ENERGY -1.526502514515e+02
-FORCES -3.6080000000e-03 -2.4104000000e-03 -1.1809000000e-03  6.2140000000e-04 -1.7470000000e-04 -5.3735000000e-03  7.0650000000e-04 -4.1580000000e-03  4.3760000000e-03  5.5851000000e-03  3.7730000000e-03  6.0821000000e-03 -4.2771000000e-03 -2.1333000000e-03 -1.9409000000e-03  9.7210000000e-04  5.1034000000e-03 -1.9629000000e-03
-
-JOB 8
-COORDS -5.8620400000e-01  4.3895000000e-02 -1.4039150000e+00 -6.0640100000e-01  5.4792000000e-02 -4.4699000000e-01  2.9019200000e-01  3.5612200000e-01 -1.6290290000e+00  5.7582900000e-01 -4.7301000000e-02  1.3224030000e+00  1.3537000000e-01  4.8513600000e-01  1.9847760000e+00  2.0448000000e-01 -9.2266000000e-01  1.4323010000e+00
-ENERGY -1.526589398781e+02
-FORCES  7.8289000000e-03  2.3860000000e-03  8.5170000000e-03 -5.8709000000e-03 -2.4087000000e-03 -4.7624000000e-03 -3.1212000000e-03 -9.2450000000e-04 -1.5780000000e-03 -1.2920000000e-04 -2.1697000000e-03  4.6861000000e-03  1.1784000000e-03 -2.8997000000e-03 -4.5710000000e-03  1.1400000000e-04  6.0166000000e-03 -2.2918000000e-03
-
-JOB 9
-COORDS -1.1010320000e+00  5.5834600000e-01  6.9273800000e-01 -1.8464430000e+00  7.8606300000e-01  1.2483810000e+00 -1.1145870000e+00  1.2117320000e+00 -6.6440000000e-03  1.1460370000e+00 -6.0269800000e-01 -7.4761400000e-01  4.0245400000e-01 -4.8440300000e-01 -1.5658000000e-01  1.8646800000e+00 -8.7600500000e-01 -1.7745000000e-01
-ENERGY -1.526610975188e+02
-FORCES -2.7382000000e-03  2.8941000000e-03 -2.3870000000e-04  3.0173000000e-03  6.3790000000e-04 -3.0114000000e-03 -4.3490000000e-04 -3.9692000000e-03  3.9828000000e-03 -3.6920000000e-03  4.6070000000e-04  7.3280000000e-03  6.2164000000e-03 -7.2560000000e-04 -6.3798000000e-03 -2.3686000000e-03  7.0210000000e-04 -1.6809000000e-03
-
-JOB 10
-COORDS  8.0761400000e-01  1.6845900000e-01 -1.2410430000e+00  4.6541800000e-01  7.0880400000e-01 -5.2889000000e-01  7.7326400000e-01  7.3622700000e-01 -2.0109070000e+00 -7.9676000000e-01 -1.8585400000e-01  1.2021120000e+00 -1.3967470000e+00 -5.5794100000e-01  1.8484860000e+00  1.8818000000e-02 -6.7186800000e-01  1.3239940000e+00
-ENERGY -1.526575925251e+02
-FORCES -4.7942000000e-03  4.0274000000e-03  1.3015000000e-03  5.8436000000e-03 -2.0536000000e-03 -3.5908000000e-03 -3.2220000000e-04 -1.8989000000e-03  2.9138000000e-03  1.9050000000e-04 -5.0822000000e-03  1.7579000000e-03  2.7204000000e-03  6.9590000000e-04 -2.6563000000e-03 -3.6380000000e-03  4.3114000000e-03  2.7380000000e-04
-
-JOB 11
-COORDS  7.4066100000e-01 -1.3080140000e+00  1.7146000000e-02  9.0972400000e-01 -3.9115700000e-01 -1.9970000000e-01  1.5331280000e+00 -1.5977990000e+00  4.6908900000e-01 -8.0962500000e-01  1.2539450000e+00 -9.2047000000e-02 -7.9479700000e-01  2.1595330000e+00  2.1766500000e-01 -5.5615600000e-01  7.3505600000e-01  6.7132700000e-01
-ENERGY -1.526572991411e+02
-FORCES  3.7737000000e-03  2.3586000000e-03 -2.8892000000e-03 -6.5710000000e-04 -5.2421000000e-03  5.8460000000e-03 -3.6074000000e-03  2.1484000000e-03 -1.5899000000e-03 -2.4134000000e-03  5.2520000000e-04  4.9159000000e-03  4.1810000000e-04 -4.4426000000e-03 -9.6500000000e-04  2.4860000000e-03  4.6525000000e-03 -5.3178000000e-03
-
-JOB 12
-COORDS  3.7805800000e-01 -9.0875500000e-01  1.1196910000e+00  4.9157000000e-01 -1.7937890000e+00  7.7319000000e-01 -3.3448400000e-01 -9.8885100000e-01  1.7538050000e+00 -3.6486000000e-01  1.0279360000e+00 -1.1371380000e+00 -1.0898000000e-02  5.4280200000e-01 -1.8825150000e+00 -3.2183900000e-01  4.1070500000e-01 -4.0679100000e-01
-ENERGY -1.526600630161e+02
-FORCES -3.8920000000e-04 -5.4217000000e-03  3.6871000000e-03 -1.0970000000e-03  4.7742000000e-03  1.0791000000e-03  3.2016000000e-03  6.1690000000e-04 -4.2854000000e-03  4.0366000000e-03 -6.8250000000e-03  4.4628000000e-03 -1.2934000000e-03  1.2757000000e-03  2.1514000000e-03 -4.4587000000e-03  5.5799000000e-03 -7.0950000000e-03
-
-JOB 13
-COORDS  4.5425800000e-01  1.0260970000e+00  1.1188570000e+00 -1.9623400000e-01  1.0639120000e+00  4.1767100000e-01  1.2912970000e+00  9.2934000000e-01  6.6472700000e-01 -4.1532900000e-01 -1.0750540000e+00 -1.0393560000e+00 -1.1812380000e+00 -8.0111700000e-01 -5.3480300000e-01 -4.0277200000e-01 -4.8725500000e-01 -1.7947140000e+00
-ENERGY -1.526527877529e+02
-FORCES  2.0897000000e-03 -4.6644000000e-03 -7.5226000000e-03 -8.8910000000e-04  8.6300000000e-04  2.4598000000e-03 -2.4048000000e-03  2.4135000000e-03  2.5689000000e-03 -3.6087000000e-03  1.1807000000e-03  2.2300000000e-04  4.0316000000e-03  1.3145000000e-03 -2.7629000000e-03  7.8120000000e-04 -1.1072000000e-03  5.0339000000e-03
-
-JOB 14
-COORDS -7.9535000000e-01  1.2540290000e+00 -5.4857500000e-01 -4.3371000000e-02  1.6469870000e+00 -1.0546800000e-01 -1.2088690000e+00  7.0737300000e-01  1.1955700000e-01  8.2024200000e-01 -1.2744210000e+00  4.3941700000e-01  3.6494900000e-01 -1.7190420000e+00  1.1544360000e+00  5.9866800000e-01 -3.5003400000e-01  5.5186900000e-01
-ENERGY -1.526508416875e+02
-FORCES -2.7130000000e-04 -2.9210000000e-04  2.6187000000e-03 -2.7356000000e-03 -5.4448000000e-03 -9.6340000000e-04  4.7344000000e-03  1.9294000000e-03 -1.6551000000e-03 -2.8502000000e-03  2.6109000000e-03  9.3130000000e-04  1.0291000000e-03  2.8394000000e-03 -3.5208000000e-03  9.3600000000e-05 -1.6428000000e-03  2.5893000000e-03
-
-JOB 15
-COORDS  7.4054300000e-01 -1.0042980000e+00 -8.7766900000e-01  6.8724900000e-01 -1.5540260000e+00 -9.5882000000e-02  4.1330400000e-01 -1.5603050000e+00 -1.5847770000e+00 -7.5511000000e-01  1.0320310000e+00  8.9161100000e-01 -7.0819900000e-01  1.9586410000e+00  1.1270330000e+00 -7.3857000000e-02  9.1799200000e-01  2.2894900000e-01
-ENERGY -1.526598596468e+02
-FORCES -2.7692000000e-03 -5.9007000000e-03  3.7300000000e-05  9.1920000000e-04  2.3830000000e-03 -4.1681000000e-03  1.7982000000e-03  1.5679000000e-03  3.1167000000e-03  3.5178000000e-03  1.1185000000e-03 -3.9959000000e-03  2.3440000000e-04 -3.5150000000e-03 -1.4944000000e-03 -3.7003000000e-03  4.3463000000e-03  6.5043000000e-03
-
-JOB 16
-COORDS  2.5079400000e-01  7.0455900000e-01 -1.3130170000e+00  6.1500000000e-02  8.5821500000e-01 -2.2386460000e+00  1.0969310000e+00  2.5702900000e-01 -1.3121730000e+00 -2.5146800000e-01 -7.1783000000e-01  1.4057170000e+00 -1.2083550000e+00 -7.3955400000e-01  1.3943850000e+00 -1.8118000000e-02 -7.3429000000e-02  7.3749000000e-01
-ENERGY -1.526591700140e+02
-FORCES  1.5160000000e-03 -1.1483000000e-03 -5.6792000000e-03  1.7303000000e-03 -8.9850000000e-04  3.5048000000e-03 -4.7280000000e-03  2.4340000000e-03  1.4706000000e-03 -4.0310000000e-03  4.3814000000e-03 -6.1725000000e-03  2.9013000000e-03 -4.8970000000e-04  9.9740000000e-04  2.6114000000e-03 -4.2789000000e-03  5.8789000000e-03
-
-JOB 17
-COORDS -6.9993000000e-02  1.2981200000e+00 -8.0316700000e-01 -5.6264500000e-01  1.9663660000e+00 -1.2795840000e+00  6.9030400000e-01  1.1201690000e+00 -1.3568030000e+00  2.3646000000e-02 -1.3397530000e+00  8.1110900000e-01  6.1549200000e-01 -1.9015150000e+00  1.3114820000e+00  3.4404000000e-02 -5.0398800000e-01  1.2775990000e+00
-ENERGY -1.526555951199e+02
-FORCES  1.2390000000e-03  6.7000000000e-05 -5.3476000000e-03  2.0602000000e-03 -2.9714000000e-03  1.9724000000e-03 -2.8490000000e-03  2.2791000000e-03  2.1170000000e-03  8.5960000000e-04  3.8690000000e-03  3.1641000000e-03 -1.9739000000e-03  2.6060000000e-03 -2.6550000000e-03  6.6410000000e-04 -5.8498000000e-03  7.4910000000e-04
-
-JOB 18
-COORDS -1.5809330000e+00  5.1805700000e-01 -1.5427500000e-01 -1.3800660000e+00 -1.4622100000e-01  5.0498200000e-01 -8.9822500000e-01  4.1271300000e-01 -8.1688000000e-01  1.4797070000e+00 -4.8451000000e-01  1.9558600000e-01  1.5556910000e+00 -7.1281600000e-01 -7.3087700000e-01  2.2558240000e+00  4.5711000000e-02  3.7652800000e-01
-ENERGY -1.526562036487e+02
-FORCES  7.7519000000e-03 -3.6976000000e-03  2.1044000000e-03 -3.8778000000e-03  2.1474000000e-03 -2.3073000000e-03 -3.6410000000e-03  4.9810000000e-04 -7.6610000000e-04  5.2573000000e-03  1.7865000000e-03 -1.6818000000e-03 -2.3202000000e-03  1.9741000000e-03  3.8384000000e-03 -3.1702000000e-03 -2.7084000000e-03 -1.1876000000e-03
-
-JOB 19
-COORDS -5.0319500000e-01 -8.3018300000e-01  1.2964180000e+00 -7.1679900000e-01 -4.1095200000e-01  4.6284100000e-01 -1.0670990000e+00 -1.6030080000e+00  1.3278200000e+00  4.9710800000e-01  8.4609700000e-01 -1.2991800000e+00  6.4152300000e-01  1.4860190000e+00 -6.0213300000e-01  1.1997180000e+00  2.0587400000e-01 -1.1865480000e+00
-ENERGY -1.526595110122e+02
-FORCES -3.4789000000e-03 -4.5580000000e-04 -4.5987000000e-03  3.4290000000e-04 -3.2022000000e-03  7.2015000000e-03  2.2422000000e-03  2.9337000000e-03 -6.1020000000e-04  6.7688000000e-03  1.4120000000e-03  2.1000000000e-03 -1.8902000000e-03 -3.5477000000e-03 -3.1550000000e-03 -3.9848000000e-03  2.8600000000e-03 -9.3750000000e-04
-
-JOB 20
-COORDS -1.9284300000e-01 -1.5482540000e+00 -5.7075900000e-01 -9.5160000000e-03 -7.8309600000e-01 -2.5638000000e-02 -8.1366700000e-01 -1.2320950000e+00 -1.2271520000e+00  1.6216400000e-01  1.4459790000e+00  5.6827300000e-01  2.7642700000e-01  2.3963270000e+00  5.7223900000e-01  1.0301040000e+00  1.0990460000e+00  7.7454900000e-01
-ENERGY -1.526576387706e+02
-FORCES -3.4585000000e-03  7.5419000000e-03 -2.5950000000e-04  3.3071000000e-03 -5.6509000000e-03 -6.6320000000e-04  1.9891000000e-03 -2.5463000000e-03  1.4875000000e-03  3.7252000000e-03  5.4064000000e-03  9.2340000000e-04  8.5600000000e-05 -4.0392000000e-03  2.9690000000e-04 -5.6486000000e-03 -7.1190000000e-04 -1.7851000000e-03
-
-JOB 21
-COORDS  3.6414500000e-01 -1.5864090000e+00  3.6781300000e-01  1.0121710000e+00 -1.4398380000e+00  1.0568790000e+00 -1.3346100000e-01 -7.6965400000e-01  3.2867800000e-01 -3.1457300000e-01  1.5144340000e+00 -4.1754000000e-01 -1.0377960000e+00  1.5185920000e+00 -1.0445670000e+00 -7.1094400000e-01  1.7934560000e+00  4.0785000000e-01
-ENERGY -1.526576767774e+02
-FORCES  1.3593000000e-03  7.4472000000e-03  3.4820000000e-04 -2.5310000000e-03 -8.7120000000e-04 -1.9079000000e-03 -2.0720000000e-04 -7.4485000000e-03  3.2274000000e-03 -4.1490000000e-03  5.0829000000e-03 -1.9221000000e-03  3.2903000000e-03 -4.7890000000e-04  3.7415000000e-03  2.2376000000e-03 -3.7315000000e-03 -3.4871000000e-03
-
-JOB 22
-COORDS -1.8374000000e-01 -1.4645360000e+00 -6.0202000000e-01 -8.7629300000e-01 -2.1061520000e+00 -4.4412500000e-01  5.7009800000e-01 -1.8009530000e+00 -1.1747500000e-01  1.6514700000e-01  1.5699900000e+00  5.2734400000e-01 -2.8538400000e-01  7.2663800000e-01  5.7218800000e-01  8.6906400000e-01  1.5006240000e+00  1.1722630000e+00
-ENERGY -1.526569293878e+02
-FORCES  1.3896000000e-03 -6.3836000000e-03 -3.1720000000e-04  3.2522000000e-03  3.5885000000e-03 -1.7340000000e-04 -4.0750000000e-03  2.3694000000e-03 -1.1002000000e-03  7.2000000000e-06 -6.0722000000e-03  2.8330000000e-04  1.7703000000e-03  6.7485000000e-03  3.7241000000e-03 -2.3444000000e-03 -2.5060000000e-04 -2.4166000000e-03
-
-JOB 23
-COORDS -1.5491210000e+00  2.0039000000e-01  5.8506400000e-01 -7.3165400000e-01  5.1263100000e-01  1.9714200000e-01 -2.1973090000e+00  2.9448000000e-01 -1.1295600000e-01  1.4822290000e+00 -2.2196300000e-01 -5.5231000000e-01  1.9412620000e+00  5.2382400000e-01 -1.6588700000e-01  2.0842060000e+00 -9.5788900000e-01 -4.4154500000e-01
-ENERGY -1.526575538408e+02
-FORCES  3.5792000000e-03 -2.4950000000e-04 -5.6642000000e-03 -6.0951000000e-03  2.8393000000e-03  3.3856000000e-03  2.1424000000e-03 -2.7890000000e-04  2.6154000000e-03  5.6502000000e-03 -3.1798000000e-03  2.0606000000e-03 -3.7732000000e-03 -2.8999000000e-03 -1.4778000000e-03 -1.5035000000e-03  3.7688000000e-03 -9.1960000000e-04
-
-JOB 24
-COORDS  1.5097480000e+00 -5.7349200000e-01  2.9078000000e-02  2.2601230000e+00 -1.0913360000e+00 -2.6248100000e-01  1.3433440000e+00  3.4535000000e-02 -6.9123100000e-01 -1.5369590000e+00  6.2921800000e-01  1.4480000000e-02 -2.2829760000e+00  5.0814000000e-02 -1.4406900000e-01 -8.9637900000e-01  7.7213000000e-02  4.6301000000e-01
-ENERGY -1.526592594769e+02
-FORCES  3.9558000000e-03  2.8850000000e-04 -4.6147000000e-03 -2.9246000000e-03  2.5100000000e-03  5.7340000000e-04  1.2068000000e-03 -3.7048000000e-03  3.9832000000e-03  1.9370000000e-04 -5.5778000000e-03  2.4319000000e-03  2.7086000000e-03  2.2105000000e-03  5.6880000000e-04 -5.1403000000e-03  4.2736000000e-03 -2.9427000000e-03
-
-JOB 25
-COORDS  4.1096700000e-01  1.5340260000e+00 -1.2364600000e-01  6.3414500000e-01  2.3113750000e+00  3.8836200000e-01  4.6492900000e-01  1.8230190000e+00 -1.0345820000e+00 -4.8095000000e-01 -1.5786150000e+00  1.6829900000e-01  1.0446200000e-01 -1.0017420000e+00 -3.2235600000e-01 -1.6194000000e-02 -2.4144590000e+00  2.0827400000e-01
-ENERGY -1.526563453309e+02
-FORCES  3.4010000000e-04  6.2886000000e-03  6.1780000000e-04 -8.6540000000e-04 -2.7352000000e-03 -2.8509000000e-03  1.2450000000e-04 -2.5798000000e-03  3.9044000000e-03  4.6681000000e-03  2.0211000000e-03 -1.1837000000e-03 -2.6401000000e-03 -6.4211000000e-03 -4.0350000000e-04 -1.6273000000e-03  3.4263000000e-03 -8.4200000000e-05
-
-JOB 26
-COORDS  1.3943510000e+00  4.6790000000e-03  1.0295320000e+00  8.7328400000e-01 -7.3306100000e-01  1.3464880000e+00  1.4311550000e+00 -1.1751000000e-01  8.0876000000e-02 -1.3939930000e+00 -6.5660000000e-03 -1.0253110000e+00 -9.3777000000e-01 -2.3300000000e-02 -1.8399500000e-01 -1.4100870000e+00  9.1836500000e-01 -1.2712300000e+00
-ENERGY -1.526563007796e+02
-FORCES  1.8801000000e-03 -5.0937000000e-03 -2.2772000000e-03  3.6220000000e-04  4.8838000000e-03 -2.3316000000e-03 -1.7477000000e-03  1.5616000000e-03  5.3851000000e-03  8.9060000000e-04  5.5038000000e-03  3.3756000000e-03 -1.5130000000e-03 -2.7522000000e-03 -4.5740000000e-03  1.2790000000e-04 -4.1032000000e-03  4.2210000000e-04
-
-JOB 27
-COORDS -6.2343000000e-01 -1.4483870000e+00  4.8482800000e-01 -7.4742800000e-01 -1.1249950000e+00  1.3771690000e+00 -1.3064090000e+00 -2.1094930000e+00  3.7208200000e-01  6.4586100000e-01  1.4998650000e+00 -4.7635100000e-01  5.5268500000e-01  5.6251300000e-01 -6.4641600000e-01  1.1233850000e+00  1.8351380000e+00 -1.2351620000e+00
-ENERGY -1.526588859243e+02
-FORCES -4.4565000000e-03 -1.8729000000e-03  4.1323000000e-03  3.1060000000e-04 -2.2965000000e-03 -3.9227000000e-03  2.7704000000e-03  2.5901000000e-03  9.9000000000e-04  5.2370000000e-04 -4.2362000000e-03 -3.1926000000e-03  2.7321000000e-03  7.2966000000e-03 -6.4040000000e-04 -1.8803000000e-03 -1.4812000000e-03  2.6335000000e-03
-
-JOB 28
-COORDS  1.1274380000e+00 -1.1319040000e+00  6.4577500000e-01  9.3047600000e-01 -5.4552800000e-01 -8.4705000000e-02  2.0439040000e+00 -1.3762970000e+00  5.1695600000e-01 -1.1523820000e+00  1.0757150000e+00 -5.3959300000e-01 -2.0406320000e+00  1.1573540000e+00 -8.8683700000e-01 -6.1316000000e-01  1.5962540000e+00 -1.1350010000e+00
-ENERGY -1.526552801253e+02
-FORCES  5.6660000000e-04  2.3200000000e-03 -3.5269000000e-03  4.6967000000e-03 -3.3218000000e-03  2.3513000000e-03 -3.7715000000e-03  1.2962000000e-03  3.0000000000e-04 -4.3856000000e-03  3.2280000000e-03 -3.2556000000e-03  3.9381000000e-03  3.1810000000e-04  1.3769000000e-03 -1.0443000000e-03 -3.8405000000e-03  2.7543000000e-03
-
-JOB 29
-COORDS -1.2345500000e+00  5.6189000000e-02  1.2512480000e+00 -1.2099760000e+00  9.1886200000e-01  1.6652810000e+00 -3.1644900000e-01 -2.0821600000e-01  1.1928400000e+00  1.1340420000e+00 -6.3493000000e-02 -1.2524880000e+00  1.1901970000e+00 -9.5787900000e-01 -1.5888670000e+00  2.0317050000e+00  2.6599200000e-01 -1.2957810000e+00
-ENERGY -1.526557695801e+02
-FORCES  5.4443000000e-03  2.9543000000e-03 -1.3668000000e-03 -2.9430000000e-04 -3.1878000000e-03 -1.0513000000e-03 -4.7444000000e-03 -4.6500000000e-05  3.6246000000e-03  3.5854000000e-03 -2.3145000000e-03 -4.0885000000e-03  1.5600000000e-04  3.9558000000e-03  2.0579000000e-03 -4.1470000000e-03 -1.3612000000e-03  8.2410000000e-04
-
-JOB 30
-COORDS  1.4962580000e+00 -1.0413690000e+00 -2.3847900000e-01  9.1889100000e-01 -3.0232800000e-01 -4.6912000000e-02  9.0250900000e-01 -1.7764550000e+00 -3.9126400000e-01 -1.3781670000e+00  1.0528370000e+00  2.2190200000e-01 -2.1493300000e+00  9.8329500000e-01 -3.4086200000e-01 -1.7096740000e+00  8.8841400000e-01  1.1046810000e+00
-ENERGY -1.526584955078e+02
-FORCES -6.3662000000e-03  1.8025000000e-03 -8.4100000000e-05  5.6546000000e-03 -4.9173000000e-03 -2.4480000000e-04  2.4895000000e-03  1.9350000000e-03  5.4850000000e-04 -6.6313000000e-03  8.2260000000e-04  1.0960000000e-03  3.1529000000e-03  1.2070000000e-04  2.8942000000e-03  1.7004000000e-03  2.3660000000e-04 -4.2098000000e-03
-
-JOB 31
-COORDS  1.1301450000e+00 -1.3295080000e+00  3.4660200000e-01  1.7704520000e+00 -1.7518500000e+00  9.1919700000e-01  3.1626900000e-01 -1.3365080000e+00  8.5037500000e-01 -1.0959630000e+00  1.3047730000e+00 -3.6557700000e-01 -1.7719460000e+00  1.9594840000e+00 -1.9055600000e-01 -8.1960300000e-01  1.4797260000e+00 -1.2651590000e+00
-ENERGY -1.526551899087e+02
-FORCES -2.0717000000e-03 -3.6700000000e-04  4.4839000000e-03 -2.5078000000e-03  1.7731000000e-03 -2.2749000000e-03  4.3220000000e-03 -2.1283000000e-03 -1.2996000000e-03 -5.0290000000e-04  3.5637000000e-03 -4.0536000000e-03  2.8582000000e-03 -2.8739000000e-03 -4.7380000000e-04 -2.0979000000e-03  3.2400000000e-05  3.6181000000e-03
-
-JOB 32
-COORDS  9.9633200000e-01 -8.0437700000e-01  1.3332430000e+00  1.6113050000e+00 -4.8148200000e-01  1.9918630000e+00  1.1166360000e+00 -2.1929600000e-01  5.8528600000e-01 -9.7796700000e-01  7.2207100000e-01 -1.3283650000e+00 -1.1969650000e+00  1.5712840000e+00 -9.4481700000e-01 -1.7908620000e+00  4.2738100000e-01 -1.7389630000e+00
-ENERGY -1.526559770051e+02
-FORCES  2.0804000000e-03  3.5846000000e-03 -2.1328000000e-03 -2.6396000000e-03 -9.9860000000e-04 -2.5765000000e-03  1.7129000000e-03 -2.3544000000e-03  5.2415000000e-03 -5.8676000000e-03  1.2840000000e-03 -2.6720000000e-04  1.5541000000e-03 -3.3929000000e-03 -1.6203000000e-03  3.1599000000e-03  1.8773000000e-03  1.3552000000e-03
-
-JOB 33
-COORDS -5.0035900000e-01  4.9297600000e-01  1.6629680000e+00 -1.0573990000e+00 -2.8222300000e-01  1.5922120000e+00 -9.5444200000e-01  1.0585900000e+00  2.2875660000e+00  5.7487300000e-01 -4.2014400000e-01 -1.6926650000e+00  6.9344700000e-01 -1.0528700000e+00 -2.4010640000e+00  1.0554100000e-01 -9.0506100000e-01 -1.0138320000e+00
-ENERGY -1.526530247069e+02
-FORCES -4.4225000000e-03  7.0900000000e-04  3.0825000000e-03  3.0807000000e-03  2.5211000000e-03 -1.1659000000e-03  1.9842000000e-03 -2.5500000000e-03 -2.4242000000e-03 -1.2158000000e-03 -3.9484000000e-03  1.0269000000e-03 -5.3400000000e-04  2.7779000000e-03  3.0063000000e-03  1.1073000000e-03  4.9030000000e-04 -3.5257000000e-03
-
-JOB 34
-COORDS -2.3366100000e-01 -1.8327920000e+00  1.0614400000e-01 -1.7862600000e-01 -1.3209520000e+00 -7.0084000000e-01 -7.7763900000e-01 -2.5860100000e+00 -1.2403300000e-01  2.2743000000e-01  1.7874890000e+00 -6.6312000000e-02 -6.6033000000e-02  2.4067610000e+00  6.0197900000e-01  1.0101840000e+00  2.1915920000e+00 -4.4078300000e-01
-ENERGY -1.526549654894e+02
-FORCES -1.8502000000e-03  9.6710000000e-04 -4.3742000000e-03 -1.0760000000e-04 -4.5498000000e-03  2.3895000000e-03  2.0923000000e-03  3.0648000000e-03  1.0651000000e-03  1.8533000000e-03  4.3997000000e-03  2.8502000000e-03  1.3760000000e-03 -1.9448000000e-03 -3.1063000000e-03 -3.3638000000e-03 -1.9370000000e-03  1.1758000000e-03
-
-JOB 35
-COORDS -1.1418490000e+00  5.0855300000e-01  1.3774780000e+00 -3.9493100000e-01  3.2934300000e-01  1.9486430000e+00 -1.3323030000e+00  1.4364080000e+00  1.5154740000e+00  1.1662940000e+00 -5.8402000000e-01 -1.4326470000e+00  9.0790300000e-01  3.1386000000e-01 -1.6406820000e+00  4.4548300000e-01 -9.2454000000e-01 -9.0282800000e-01
-ENERGY -1.526569418847e+02
-FORCES  1.6600000000e-03  3.7751000000e-03  4.4103000000e-03 -3.3803000000e-03  5.9970000000e-04 -2.9174000000e-03  9.6760000000e-04 -3.8937000000e-03 -6.7190000000e-04 -5.6853000000e-03  2.6865000000e-03  1.9231000000e-03  1.9593000000e-03 -3.1292000000e-03  4.5800000000e-05  4.4787000000e-03 -3.8400000000e-05 -2.7899000000e-03
-
-JOB 36
-COORDS  6.8754900000e-01  6.7509700000e-01 -1.6296490000e+00  1.1780400000e+00  1.4548000000e+00 -1.8898690000e+00  2.7117300000e-01  9.1836500000e-01 -8.0279700000e-01 -6.9100600000e-01 -6.9086400000e-01  1.6349410000e+00 -6.0552000000e-01 -6.2402800000e-01  6.8391100000e-01 -7.6627900000e-01 -1.6300560000e+00  1.8037150000e+00
-ENERGY -1.526546072280e+02
-FORCES  1.6605000000e-03  6.0918000000e-03  1.8261000000e-03 -2.0871000000e-03 -3.3074000000e-03  7.3900000000e-04  3.5320000000e-04 -4.0323000000e-03 -3.1887000000e-03  1.2190000000e-04 -5.6709000000e-03 -3.1271000000e-03 -1.0950000000e-04  2.9711000000e-03  3.9907000000e-03  6.1200000000e-05  3.9477000000e-03 -2.3990000000e-04
-
-JOB 37
-COORDS -3.9466400000e-01  1.8534090000e+00 -3.2194000000e-01  5.7125000000e-02  2.0867470000e+00 -1.1329090000e+00  3.0622100000e-01  1.6012420000e+00  2.7922800000e-01  3.7540900000e-01 -1.8423970000e+00  2.8174100000e-01  6.3015000000e-01 -2.3576590000e+00  1.0471450000e+00 -5.0667300000e-01 -1.5310510000e+00  4.8478600000e-01
-ENERGY -1.526561099044e+02
-FORCES  5.6990000000e-03 -6.7260000000e-04 -1.5246000000e-03 -1.9488000000e-03 -3.1400000000e-04  3.2589000000e-03 -3.5579000000e-03  1.9863000000e-03 -1.8590000000e-03 -3.6834000000e-03 -1.3736000000e-03  3.2103000000e-03 -9.0940000000e-04  2.5001000000e-03 -3.0474000000e-03  4.4004000000e-03 -2.1262000000e-03 -3.8200000000e-05
-
-JOB 38
-COORDS  1.0446270000e+00 -1.5390800000e+00  7.2392000000e-02  8.8607300000e-01 -2.4638530000e+00 -1.1704800000e-01  1.9714450000e+00 -1.4978600000e+00  3.0806200000e-01 -1.0568960000e+00  1.5794740000e+00 -2.1332000000e-02 -1.8761540000e+00  1.1633710000e+00 -2.8948600000e-01 -7.7007500000e-01  2.0651890000e+00 -7.9466700000e-01
-ENERGY -1.526527260885e+02
-FORCES  3.4333000000e-03 -3.0341000000e-03  8.3420000000e-04  2.4410000000e-04  4.0284000000e-03  6.2090000000e-04 -3.7566000000e-03 -3.4810000000e-04 -1.2109000000e-03 -1.3528000000e-03 -1.4929000000e-03 -4.5138000000e-03  2.6630000000e-03  2.2417000000e-03  1.1022000000e-03 -1.2310000000e-03 -1.3950000000e-03  3.1675000000e-03
-
-JOB 39
-COORDS -7.9258000000e-02  1.8071180000e+00  6.7321300000e-01  2.2296600000e-01  2.1406750000e+00  1.5179800000e+00 -2.0969900000e-01  8.6996400000e-01  8.1798800000e-01  6.0537000000e-02 -1.7942090000e+00 -6.5175100000e-01  5.9005500000e-01 -1.0893620000e+00 -1.0246220000e+00 -3.2976200000e-01 -2.2282290000e+00 -1.4103850000e+00
-ENERGY -1.526569721078e+02
-FORCES -2.0470000000e-04 -2.7267000000e-03  4.7533000000e-03 -1.2056000000e-03 -1.2704000000e-03 -3.3737000000e-03  1.7668000000e-03  5.5553000000e-03 -1.0039000000e-03  5.5570000000e-04 -1.6400000000e-05 -6.0942000000e-03 -2.8463000000e-03 -3.1464000000e-03  2.6920000000e-03  1.9341000000e-03  1.6045000000e-03  3.0266000000e-03
-
-JOB 40
-COORDS -1.0689520000e+00 -7.6914800000e-01  1.4609060000e+00 -3.0932600000e-01 -8.8103400000e-01  2.0324670000e+00 -7.5306700000e-01 -1.0142170000e+00  5.9120000000e-01  9.9986800000e-01  8.4319900000e-01 -1.4113500000e+00  1.7970310000e+00  3.1375300000e-01 -1.3901520000e+00  4.1723100000e-01  3.7586100000e-01 -2.0099820000e+00
-ENERGY -1.526539496565e+02
-FORCES  5.4128000000e-03  3.3380000000e-04 -1.8503000000e-03 -3.1729000000e-03 -1.8060000000e-04 -1.8852000000e-03 -2.1311000000e-03 -7.9450000000e-04  3.3552000000e-03  1.4108000000e-03 -2.3305000000e-03 -3.6900000000e-03 -3.9249000000e-03  1.7736000000e-03  5.6960000000e-04  2.4053000000e-03  1.1982000000e-03  3.5007000000e-03
-
-JOB 41
-COORDS -2.4726000000e-02  3.4099800000e-01  1.8774240000e+00  9.1935700000e-01  1.8680600000e-01  1.9115380000e+00 -4.0434000000e-01 -3.8347900000e-01  2.3746740000e+00 -2.0764000000e-02 -3.1011600000e-01 -1.9661060000e+00 -6.1379800000e-01 -2.2468400000e-01 -1.2196180000e+00  8.2046200000e-01  1.2047000000e-02 -1.6424070000e+00
-ENERGY -1.526564659327e+02
-FORCES  2.5033000000e-03 -3.4158000000e-03  4.4424000000e-03 -4.1092000000e-03  6.5920000000e-04 -9.7080000000e-04  1.6285000000e-03  3.1586000000e-03 -2.4786000000e-03  4.8430000000e-04  2.6159000000e-03  5.7634000000e-03  1.8417000000e-03 -1.3847000000e-03 -4.9044000000e-03 -2.3486000000e-03 -1.6332000000e-03 -1.8520000000e-03
-
-JOB 42
-COORDS -1.6519380000e+00 -1.1194600000e+00 -3.7203500000e-01 -1.6651910000e+00 -3.1913800000e-01  1.5288500000e-01 -7.3228900000e-01 -1.3847500000e+00 -3.8196200000e-01  1.5919390000e+00  1.1399660000e+00  3.8434600000e-01  1.9860540000e+00  2.9051400000e-01  5.8268200000e-01  1.4016410000e+00  1.1032370000e+00 -5.5302800000e-01
-ENERGY -1.526549495265e+02
-FORCES  3.4773000000e-03  2.6752000000e-03  3.1902000000e-03 -6.4440000000e-04 -3.8404000000e-03 -2.8160000000e-03 -3.1472000000e-03  7.8850000000e-04 -7.0140000000e-04  2.8294000000e-03 -2.2954000000e-03 -3.2598000000e-03 -2.7574000000e-03  3.2039000000e-03 -1.0519000000e-03  2.4220000000e-04 -5.3180000000e-04  4.6389000000e-03
-
-JOB 43
-COORDS -9.0450100000e-01  1.0862290000e+00  1.4159440000e+00 -3.3159000000e-02  1.4313410000e+00  1.6106020000e+00 -1.0689890000e+00  1.3470260000e+00  5.0976500000e-01  8.9200600000e-01 -1.1480930000e+00 -1.4442400000e+00  1.4409470000e+00 -8.6330600000e-01 -7.1362900000e-01  2.0890000000e-03 -9.1276500000e-01 -1.1817490000e+00
-ENERGY -1.526546560563e+02
-FORCES  2.1228000000e-03  4.4260000000e-03 -1.6457000000e-03 -3.5217000000e-03 -2.1941000000e-03 -1.2232000000e-03  1.1594000000e-03 -2.6259000000e-03  3.5373000000e-03 -1.7484000000e-03  8.7460000000e-04  5.1091000000e-03 -1.7177000000e-03 -5.0200000000e-04 -3.4724000000e-03  3.7056000000e-03  2.1300000000e-05 -2.3052000000e-03
-
-JOB 44
-COORDS -1.4442460000e+00  3.3379600000e-01 -1.2555140000e+00 -1.2290800000e+00  9.6331900000e-01 -1.9437270000e+00 -1.5646970000e+00 -4.9555300000e-01 -1.7180100000e+00  1.4401510000e+00 -3.4965900000e-01  1.2659510000e+00  1.3407220000e+00  5.8632900000e-01  1.4399400000e+00  1.5011960000e+00 -7.4983700000e-01  2.1333400000e+00
-ENERGY -1.526536684166e+02
-FORCES  1.3019000000e-03 -1.9436000000e-03 -4.4809000000e-03 -9.0730000000e-04 -2.2021000000e-03  2.9881000000e-03 -2.0860000000e-04  3.5720000000e-03  1.4607000000e-03 -1.5127000000e-03  2.8199000000e-03  3.7750000000e-03  1.4972000000e-03 -3.6430000000e-03 -1.9280000000e-04 -1.7060000000e-04  1.3968000000e-03 -3.5501000000e-03
-
-JOB 45
-COORDS -1.5044720000e+00  1.3238790000e+00 -4.3112100000e-01 -1.8456350000e+00  1.7717000000e+00  3.4302100000e-01 -5.5627600000e-01  1.3084270000e+00 -3.0105000000e-01  1.5128070000e+00 -1.3097680000e+00  3.7622200000e-01  1.4701830000e+00 -2.0593440000e+00  9.6998300000e-01  7.2173900000e-01 -1.3814320000e+00 -1.5791800000e-01
-ENERGY -1.526561495873e+02
-FORCES  2.7228000000e-03  2.8244000000e-03  4.1286000000e-03  1.1612000000e-03 -1.7728000000e-03 -3.2219000000e-03 -4.8201000000e-03 -5.9240000000e-04 -1.2342000000e-03 -3.3832000000e-03 -4.6061000000e-03  2.5370000000e-04  2.7990000000e-04  3.0094000000e-03 -2.4347000000e-03  4.0395000000e-03  1.1375000000e-03  2.5085000000e-03
-
-JOB 46
-COORDS  1.5681600000e+00  5.3342100000e-01  1.1943990000e+00  1.6197380000e+00  1.1253500000e+00  1.9448600000e+00  9.7174300000e-01  9.6916700000e-01  5.8559300000e-01 -1.5270080000e+00 -5.8079800000e-01 -1.2680580000e+00 -1.0364850000e+00 -2.3432400000e-01 -5.2269000000e-01 -2.2130030000e+00 -1.1198250000e+00 -8.7424000000e-01
-ENERGY -1.526537169953e+02
-FORCES -4.5980000000e-04  5.3424000000e-03  9.2900000000e-04 -2.5660000000e-04 -2.7156000000e-03 -3.2891000000e-03  5.5430000000e-04 -3.5132000000e-03  2.7237000000e-03 -8.0040000000e-04 -2.2647000000e-03  5.1096000000e-03 -1.6244000000e-03  7.6790000000e-04 -3.5762000000e-03  2.5870000000e-03  2.3833000000e-03 -1.8970000000e-03
-
-JOB 47
-COORDS  1.2587640000e+00 -1.6064010000e+00 -4.7868100000e-01  6.9081700000e-01 -8.3622000000e-01 -5.0078200000e-01  7.7095800000e-01 -2.2780580000e+00 -9.5528800000e-01 -1.2023110000e+00  1.6320790000e+00  4.4711000000e-01 -1.7270210000e+00  9.3698100000e-01  8.4428700000e-01 -5.6700700000e-01  1.8690380000e+00  1.1227370000e+00
-ENERGY -1.526561678907e+02
-FORCES -4.2649000000e-03  1.1577000000e-03 -2.8086000000e-03  3.0276000000e-03 -4.7844000000e-03  7.4210000000e-04  1.8324000000e-03  2.5233000000e-03  2.1065000000e-03 -7.2710000000e-04  1.1130000000e-04  5.6748000000e-03  2.8293000000e-03  2.4423000000e-03 -2.4056000000e-03 -2.6973000000e-03 -1.4502000000e-03 -3.3092000000e-03
-
-JOB 48
-COORDS -6.6074000000e-02 -7.0606400000e-01  1.9452190000e+00 -2.2001200000e-01 -7.5800200000e-01  2.8885310000e+00 -8.8977100000e-01 -3.7699600000e-01  1.5854000000e+00  1.7054000000e-01  6.7401600000e-01 -1.9484410000e+00 -8.0625000000e-02  3.6055600000e-01 -2.8172860000e+00 -5.1365200000e-01  1.3003720000e+00 -1.7122380000e+00
-ENERGY -1.526530401004e+02
-FORCES -3.8509000000e-03  1.1323000000e-03  1.6710000000e-03  7.3870000000e-04  2.1510000000e-04 -3.9615000000e-03  2.8798000000e-03 -1.1024000000e-03  2.0499000000e-03 -3.2350000000e-03  1.2751000000e-03 -2.8630000000e-03  1.0204000000e-03  1.3529000000e-03  3.6783000000e-03  2.4470000000e-03 -2.8730000000e-03 -5.7460000000e-04
-
-JOB 49
-COORDS  6.7399000000e-01 -1.8238410000e+00 -6.3992800000e-01  1.0195080000e+00 -2.2377610000e+00 -1.4308250000e+00  1.0723010000e+00 -2.3125590000e+00  8.0305000000e-02 -6.8056300000e-01  1.9117690000e+00  6.0438100000e-01 -4.8983800000e-01  1.0055390000e+00  8.4646300000e-01 -1.4697620000e+00  2.1314220000e+00  1.0995070000e+00
-ENERGY -1.526552529763e+02
-FORCES  3.5273000000e-03 -4.0004000000e-03 -1.7161000000e-03 -1.3362000000e-03  1.2556000000e-03  3.5075000000e-03 -1.9949000000e-03  2.4422000000e-03 -2.6296000000e-03 -2.0998000000e-03 -3.9180000000e-03  2.0493000000e-03 -1.2029000000e-03  5.0023000000e-03  6.5060000000e-04  3.1066000000e-03 -7.8180000000e-04 -1.8617000000e-03
-
-JOB 50
-COORDS  7.0161200000e-01 -1.8032480000e+00 -8.9483100000e-01 -1.5116900000e-01 -1.8186600000e+00 -4.6036600000e-01  1.3064160000e+00 -2.1691460000e+00 -2.4941500000e-01 -6.6753300000e-01  1.8246090000e+00  7.8055600000e-01 -1.2260880000e+00  2.4258150000e+00  1.2733030000e+00 -4.7245000000e-01  1.1186560000e+00  1.3968400000e+00
-ENERGY -1.526532340217e+02
-FORCES -1.2189000000e-03 -1.2462000000e-03  3.6334000000e-03  3.8019000000e-03 -2.7630000000e-04 -1.1419000000e-03 -2.6428000000e-03  1.7031000000e-03 -2.3782000000e-03 -1.0125000000e-03 -8.0000000000e-06  4.4440000000e-03  2.3507000000e-03 -2.6030000000e-03 -2.1434000000e-03 -1.2784000000e-03  2.4305000000e-03 -2.4140000000e-03
-
-JOB 51
-COORDS  1.0103000000e+00 -8.5135200000e-01 -1.7297730000e+00  5.8626700000e-01 -4.9728000000e-02 -1.4234620000e+00  1.8225630000e+00 -9.0083800000e-01 -1.2257770000e+00 -9.9142600000e-01  8.4793400000e-01  1.6338250000e+00 -1.5257750000e+00  1.2216510000e+00  2.3345670000e+00 -1.0899330000e+00 -9.8712000000e-02  1.7357530000e+00
-ENERGY -1.526561078863e+02
-FORCES  1.4723000000e-03  4.0083000000e-03  3.3900000000e-03  2.0985000000e-03 -4.1176000000e-03 -2.0792000000e-03 -3.1426000000e-03 -2.5420000000e-04 -2.0620000000e-03 -3.2642000000e-03 -2.1752000000e-03  3.9116000000e-03  2.1872000000e-03 -1.7245000000e-03 -2.7598000000e-03  6.4880000000e-04  4.2633000000e-03 -4.0060000000e-04
-
-JOB 52
-COORDS  1.2661220000e+00  8.2337100000e-01 -1.6040600000e+00  1.9919670000e+00  1.2407350000e+00 -1.1401770000e+00  8.9095200000e-01  2.1635500000e-01 -9.6608500000e-01 -1.3293450000e+00 -8.3701600000e-01  1.5086160000e+00 -5.7627700000e-01 -1.2378080000e+00  1.9427670000e+00 -1.2149920000e+00  1.0292300000e-01  1.6488650000e+00
-ENERGY -1.526545592764e+02
-FORCES  1.0133000000e-03 -1.3983000000e-03  3.9393000000e-03 -3.1403000000e-03 -1.6942000000e-03 -1.5648000000e-03  2.6769000000e-03  3.4055000000e-03 -2.4827000000e-03  1.8518000000e-03  1.9478000000e-03  3.8417000000e-03 -2.7270000000e-03  2.0813000000e-03 -2.6415000000e-03  3.2520000000e-04 -4.3422000000e-03 -1.0919000000e-03
-
-JOB 53
-COORDS -4.3208700000e-01 -1.7796200000e+00  1.1825790000e+00 -5.7661900000e-01 -1.3607170000e+00  2.0310260000e+00  5.1797700000e-01 -1.8800840000e+00  1.1232740000e+00  3.4201500000e-01  1.7664300000e+00 -1.2792840000e+00  3.1202800000e-01  2.0407360000e+00 -3.6272000000e-01  1.2104520000e+00  1.3780820000e+00 -1.3852750000e+00
-ENERGY -1.526531114761e+02
-FORCES  2.8864000000e-03  9.3860000000e-04  2.9872000000e-03  7.9030000000e-04 -1.4555000000e-03 -3.5803000000e-03 -3.7227000000e-03  7.4550000000e-04  2.5940000000e-04  2.7793000000e-03 -1.2564000000e-03  3.4532000000e-03  4.8710000000e-04 -6.8860000000e-04 -3.6200000000e-03 -3.2204000000e-03  1.7163000000e-03  5.0050000000e-04
-
-JOB 54
-COORDS -1.4679350000e+00  6.2541400000e-01  1.5635710000e+00 -7.6033500000e-01  9.9105000000e-01  2.0944610000e+00 -1.1720930000e+00  7.3651200000e-01  6.6004100000e-01  1.4035820000e+00 -6.6753100000e-01 -1.4838410000e+00  1.7195000000e+00 -1.2375540000e+00 -2.1849120000e+00  1.2997750000e+00  1.8864000000e-01 -1.8990860000e+00
-ENERGY -1.526545760295e+02
-FORCES  4.9388000000e-03  7.7640000000e-04 -1.8982000000e-03 -3.1148000000e-03 -1.0039000000e-03 -1.8898000000e-03 -1.9493000000e-03  8.2540000000e-04  3.7006000000e-03  1.5360000000e-03  8.2600000000e-05 -5.2062000000e-03 -1.1909000000e-03  2.5888000000e-03  2.8420000000e-03 -2.1970000000e-04 -3.2694000000e-03  2.4515000000e-03
-
-JOB 55
-COORDS -1.8626100000e+00 -1.0737910000e+00 -5.5822800000e-01 -1.5510530000e+00 -1.9508640000e+00 -3.3483200000e-01 -1.5432340000e+00 -9.2512200000e-01 -1.4482440000e+00  1.8352620000e+00  1.0868960000e+00  5.3439300000e-01  1.6940040000e+00  2.0318050000e+00  5.9292400000e-01  1.8191050000e+00  7.8511200000e-01  1.4426310000e+00
-ENERGY -1.526543256434e+02
-FORCES  3.6986000000e-03 -2.4523000000e-03 -2.8234000000e-03 -1.5758000000e-03  3.2794000000e-03 -7.1790000000e-04 -2.0105000000e-03 -9.0210000000e-04  3.2787000000e-03 -1.6009000000e-03  2.6107000000e-03  4.1831000000e-03  9.0340000000e-04 -3.7130000000e-03 -3.1940000000e-04  5.8520000000e-04  1.1773000000e-03 -3.6012000000e-03
-
-JOB 56
-COORDS -7.8563900000e-01  1.7491010000e+00  1.2181600000e+00 -3.8323800000e-01  8.8062300000e-01  1.2110300000e+00 -2.2088800000e-01  2.2705950000e+00  1.7885400000e+00  6.5579900000e-01 -1.7169960000e+00 -1.2516910000e+00  1.0839520000e+00 -2.5673850000e+00 -1.3504650000e+00  1.3771600000e+00 -1.0908670000e+00 -1.1897830000e+00
-ENERGY -1.526545202332e+02
-FORCES  3.3018000000e-03 -2.0817000000e-03  2.1691000000e-03 -1.0389000000e-03  4.5559000000e-03  5.1200000000e-04 -2.1107000000e-03 -2.1301000000e-03 -2.4505000000e-03  4.7334000000e-03 -1.3882000000e-03 -1.3423000000e-03 -1.7254000000e-03  3.6481000000e-03  4.6820000000e-04 -3.1602000000e-03 -2.6041000000e-03  6.4360000000e-04
-
-JOB 57
-COORDS -7.6243600000e-01 -1.3439950000e+00 -1.8071880000e+00 -8.3510000000e-03 -1.0183290000e+00 -2.2986440000e+00 -1.4737850000e+00 -7.4519200000e-01 -2.0344540000e+00  7.9537100000e-01  1.2687350000e+00  1.9051870000e+00  1.0709360000e+00  1.3042270000e+00  9.8919800000e-01 -6.9197000000e-02  1.6794790000e+00  1.9117910000e+00
-ENERGY -1.526536428512e+02
-FORCES -5.2400000000e-05  2.9860000000e-03 -3.3168000000e-03 -3.0866000000e-03 -9.2600000000e-04  2.3727000000e-03  3.1419000000e-03 -2.1826000000e-03  1.1878000000e-03 -2.7509000000e-03  9.7220000000e-04 -3.8825000000e-03 -8.0960000000e-04  4.5700000000e-04  3.6303000000e-03  3.5576000000e-03 -1.3067000000e-03  8.5000000000e-06
-
-JOB 58
-COORDS -2.8621000000e-01  2.2124430000e+00 -9.2907000000e-01  4.1949500000e-01  2.5177740000e+00 -1.4991450000e+00 -1.0886660000e+00  2.4250510000e+00 -1.4056140000e+00  2.8957200000e-01 -2.2965890000e+00  9.5485700000e-01 -3.4721100000e-01 -2.0514170000e+00  1.6261460000e+00  9.4427100000e-01 -1.5987160000e+00  9.7882100000e-01
-ENERGY -1.526547622013e+02
-FORCES -6.9310000000e-04  2.0114000000e-03 -4.6942000000e-03 -2.7895000000e-03 -1.2437000000e-03  2.4780000000e-03  3.3194000000e-03 -6.6080000000e-04  2.0042000000e-03 -1.9320000000e-04  4.7989000000e-03  2.4335000000e-03  2.4929000000e-03 -1.4391000000e-03 -2.4237000000e-03 -2.1365000000e-03 -3.4668000000e-03  2.0210000000e-04
-
-JOB 59
-COORDS -2.2647400000e+00 -1.0291090000e+00  2.1427200000e-01 -1.8397590000e+00 -1.8544030000e+00  4.4775200000e-01 -1.9943070000e+00 -4.1770400000e-01  8.9931400000e-01  2.1698400000e+00  1.0718850000e+00 -2.4404700000e-01  2.9614230000e+00  1.4538240000e+00 -6.2319300000e-01  2.3845450000e+00  1.4716800000e-01 -1.2144000000e-01
-ENERGY -1.526540656301e+02
-FORCES  3.0702000000e-03 -1.9490000000e-04  3.6242000000e-03 -1.5986000000e-03  3.1670000000e-03 -9.8220000000e-04 -1.4697000000e-03 -2.9716000000e-03 -2.5418000000e-03  4.1339000000e-03 -2.1012000000e-03 -1.6235000000e-03 -3.1959000000e-03 -1.6045000000e-03  1.6295000000e-03 -9.3980000000e-04  3.7052000000e-03 -1.0620000000e-04
-
-JOB 60
-COORDS  1.2722220000e+00 -9.8959500000e-01 -1.8945310000e+00  5.7713700000e-01 -9.7741500000e-01 -1.2365480000e+00  1.0356130000e+00 -1.7087160000e+00 -2.4802900000e+00 -1.2641600000e+00  9.7632400000e-01  1.8892380000e+00 -1.1235560000e+00  1.6176020000e+00  2.5858180000e+00 -6.6947000000e-01  1.2473870000e+00  1.1898810000e+00
-ENERGY -1.526546613469e+02
-FORCES -3.8894000000e-03 -3.5683000000e-03  1.7820000000e-04  3.0687000000e-03  7.9380000000e-04 -2.7300000000e-03  1.0512000000e-03  2.9601000000e-03  2.3190000000e-03  3.0273000000e-03  4.3683000000e-03  5.2720000000e-04 -6.6520000000e-04 -2.6163000000e-03 -2.8582000000e-03 -2.5926000000e-03 -1.9376000000e-03  2.5637000000e-03
-
-JOB 61
-COORDS  2.3501690000e+00  7.4595200000e-01 -6.8081300000e-01  1.8624840000e+00  6.4036300000e-01 -1.4976640000e+00  1.7666620000e+00  1.2535750000e+00 -1.1683600000e-01 -2.2467230000e+00 -7.9822900000e-01  6.5569700000e-01 -2.1285350000e+00 -2.3577500000e-01  1.4211440000e+00 -3.1951920000e+00 -8.4241200000e-01  5.3450400000e-01
-ENERGY -1.526543357439e+02
-FORCES -5.0182000000e-03  9.9570000000e-04 -1.0836000000e-03  2.4154000000e-03  7.8370000000e-04  3.0688000000e-03  2.6324000000e-03 -1.6265000000e-03 -2.0008000000e-03 -3.6981000000e-03  1.5469000000e-03  2.9660000000e-03 -3.0340000000e-04 -1.9703000000e-03 -3.4114000000e-03  3.9719000000e-03  2.7060000000e-04  4.6100000000e-04
-
-JOB 62
-COORDS -1.3520400000e+00  2.0636750000e+00  8.6558000000e-02 -2.1255940000e+00  2.5898560000e+00 -1.1587500000e-01 -9.1188100000e-01  2.5439910000e+00  7.8783500000e-01  1.3747740000e+00 -2.1612630000e+00 -1.5968800000e-01  8.6344300000e-01 -1.3535260000e+00 -1.1137700000e-01  1.8527670000e+00 -2.1926340000e+00  6.6902800000e-01
-ENERGY -1.526550785154e+02
-FORCES -1.9913000000e-03  4.6174000000e-03  1.6836000000e-03  3.2560000000e-03 -2.0183000000e-03  9.9520000000e-04 -1.6087000000e-03 -2.3174000000e-03 -2.8208000000e-03 -7.2190000000e-04  3.5798000000e-03  3.2776000000e-03  2.8366000000e-03 -3.9491000000e-03  8.0200000000e-05 -1.7706000000e-03  8.7400000000e-05 -3.2158000000e-03
-
-JOB 63
-COORDS  2.0620030000e+00  6.1815700000e-01 -1.2771340000e+00  2.6800400000e+00  3.7524200000e-01 -5.8774700000e-01  2.1689500000e+00  1.5645450000e+00 -1.3727570000e+00 -2.1118450000e+00 -6.3462100000e-01  1.1747300000e+00 -1.3347660000e+00 -6.6304600000e-01  1.7329160000e+00 -2.8004730000e+00 -1.0406580000e+00  1.7011880000e+00
-ENERGY -1.526535093340e+02
-FORCES  2.6864000000e-03  3.0422000000e-03  2.1283000000e-03 -2.6465000000e-03  8.9540000000e-04 -2.6034000000e-03 -2.4740000000e-04 -3.9248000000e-03  4.3000000000e-04  7.4930000000e-04 -1.8264000000e-03  4.0647000000e-03 -3.3349000000e-03  1.1670000000e-04 -1.8419000000e-03  2.7932000000e-03  1.6969000000e-03 -2.1777000000e-03
-
-JOB 64
-COORDS  2.5429590000e+00  3.3448600000e-01 -3.6709100000e-01  2.1928230000e+00 -2.7601200000e-01  2.8169900000e-01  2.1499480000e+00  1.1772780000e+00 -1.4020800000e-01 -2.5225760000e+00 -3.1388000000e-01  2.6722600000e-01 -2.5841860000e+00 -1.6061300000e-01  1.2100650000e+00 -2.0113890000e+00 -1.1192540000e+00  1.8790800000e-01
-ENERGY -1.526539582668e+02
-FORCES -3.2730000000e-03  1.3477000000e-03  3.3244000000e-03  1.3394000000e-03  2.1694000000e-03 -2.5396000000e-03  1.9455000000e-03 -3.5279000000e-03 -7.2330000000e-04  1.1677000000e-03 -2.9991000000e-03  3.1935000000e-03  6.5430000000e-04 -5.1680000000e-04 -3.9173000000e-03 -1.8339000000e-03  3.5267000000e-03  6.6240000000e-04
-
-JOB 65
-COORDS -8.8906300000e-01  1.1891440000e+00 -2.2808030000e+00 -5.8131400000e-01  1.7578460000e+00 -2.9865640000e+00 -8.0156600000e-01  1.7201920000e+00 -1.4892450000e+00  8.6032900000e-01 -1.1971620000e+00  2.2415490000e+00  2.0829700000e-01 -1.5740850000e+00  2.8323240000e+00  1.5952260000e+00 -1.8096720000e+00  2.2730170000e+00
-ENERGY -1.526541726627e+02
-FORCES  1.9034000000e-03  4.2473000000e-03  9.3330000000e-04 -1.2678000000e-03 -2.3098000000e-03  2.7471000000e-03 -6.5980000000e-04 -1.7764000000e-03 -3.6424000000e-03  2.5630000000e-04 -4.3479000000e-03  2.1899000000e-03  2.7016000000e-03  1.6432000000e-03 -2.2805000000e-03 -2.9337000000e-03  2.5436000000e-03  5.2700000000e-05
-
-JOB 66
-COORDS  1.2607720000e+00  2.4192410000e+00  6.1733300000e-01  3.1172900000e-01  2.2979470000e+00  5.8838900000e-01  1.5766460000e+00  1.7084800000e+00  1.1752520000e+00 -1.2796220000e+00 -2.3431930000e+00 -6.1114400000e-01 -1.2359070000e+00 -2.6479730000e+00 -1.5174730000e+00 -4.3542700000e-01 -2.5905280000e+00 -2.3379600000e-01
-ENERGY -1.526545165277e+02
-FORCES -2.9908000000e-03 -3.4406000000e-03  2.0980000000e-03  4.1025000000e-03  7.5780000000e-04  2.2450000000e-04 -1.0242000000e-03  2.7824000000e-03 -2.2598000000e-03  3.5286000000e-03 -2.5955000000e-03 -2.5560000000e-03 -1.8680000000e-04  1.2088000000e-03  3.8039000000e-03 -3.4293000000e-03  1.2871000000e-03 -1.3107000000e-03
-
-JOB 67
-COORDS -3.4640600000e-01  2.7203430000e+00 -4.6537800000e-01 -1.9027400000e-01  2.3571580000e+00  4.0637400000e-01  5.1909000000e-01  2.9923950000e+00 -7.7055900000e-01  3.4486400000e-01 -2.7542160000e+00  4.0685200000e-01 -5.5306900000e-01 -2.6492450000e+00  9.2322000000e-02  4.1578900000e-01 -2.1418310000e+00  1.1390990000e+00
-ENERGY -1.526540186905e+02
-FORCES  4.4396000000e-03 -1.0180000000e-04  2.0387000000e-03 -8.1380000000e-04  1.1356000000e-03 -3.4371000000e-03 -3.6304000000e-03 -1.0639000000e-03  1.3714000000e-03 -3.6289000000e-03  2.8185000000e-03  1.4263000000e-03  3.7633000000e-03 -5.3530000000e-04  1.4923000000e-03 -1.2970000000e-04 -2.2532000000e-03 -2.8916000000e-03
-
-JOB 68
-COORDS  2.0552310000e+00 -1.0507000000e-01 -1.8340220000e+00  2.7370390000e+00  2.9671000000e-02 -2.4922130000e+00  2.5327400000e+00 -2.0090800000e-01 -1.0099880000e+00 -2.1631060000e+00  8.3805000000e-02  1.7886350000e+00 -2.0761180000e+00  9.1869200000e-01  2.2486660000e+00 -1.3715740000e+00 -4.0176900000e-01  2.0208570000e+00
-ENERGY -1.526536195612e+02
-FORCES  4.6855000000e-03  1.7070000000e-04  4.1100000000e-04 -2.7895000000e-03 -5.4520000000e-04  2.7471000000e-03 -2.0586000000e-03  3.8090000000e-04 -3.1388000000e-03  3.7252000000e-03  1.4630000000e-03  2.3231000000e-03 -3.7500000000e-04 -3.4248000000e-03 -1.7239000000e-03 -3.1877000000e-03  1.9554000000e-03 -6.1850000000e-04
-
-JOB 69
-COORDS -1.2444710000e+00 -1.9095940000e+00  1.8429290000e+00 -5.9009600000e-01 -1.2764340000e+00  1.5477460000e+00 -9.9902800000e-01 -2.7275970000e+00  1.4106550000e+00  1.1578450000e+00  1.8839190000e+00 -1.8378120000e+00  9.1144600000e-01  2.5459370000e+00 -1.1918620000e+00  2.1147680000e+00  1.9040430000e+00 -1.8490410000e+00
-ENERGY -1.526544741532e+02
-FORCES  3.6198000000e-03 -6.5940000000e-04 -3.4635000000e-03 -2.6214000000e-03 -2.5854000000e-03  1.6911000000e-03 -9.8590000000e-04  3.1771000000e-03  1.9379000000e-03  2.8939000000e-03  3.3291000000e-03  2.1336000000e-03  1.0803000000e-03 -2.9955000000e-03 -2.4966000000e-03 -3.9868000000e-03 -2.6600000000e-04  1.9760000000e-04
-
-JOB 70
-COORDS -2.7172210000e+00 -1.4672330000e+00 -1.9566700000e-01 -1.7678590000e+00 -1.4605290000e+00 -7.3608000000e-02 -2.8477180000e+00 -1.1283320000e+00 -1.0813010000e+00  2.6874230000e+00  1.4258080000e+00  1.8811900000e-01  2.5218440000e+00  9.5718900000e-01  1.0061720000e+00  2.4275410000e+00  2.3285480000e+00  3.7184100000e-01
-ENERGY -1.526544493839e+02
-FORCES  3.4564000000e-03  1.3747000000e-03 -3.3801000000e-03 -3.9579000000e-03 -5.0400000000e-05 -2.0120000000e-04  3.9190000000e-04 -1.3773000000e-03  3.6500000000e-03 -1.3310000000e-03  2.1045000000e-03  4.2801000000e-03  4.4390000000e-04  1.7401000000e-03 -3.5364000000e-03  9.9680000000e-04 -3.7917000000e-03 -8.1240000000e-04
-
-JOB 71
-COORDS -1.5088490000e+00 -2.5525650000e+00 -6.4777100000e-01 -1.5088680000e+00 -3.2391200000e+00  1.9218000000e-02 -2.4148820000e+00 -2.5157810000e+00 -9.5434000000e-01  1.5084490000e+00  2.5814440000e+00  6.1341000000e-01  1.8926750000e+00  2.5391770000e+00  1.4890900000e+00  2.2421040000e+00  2.8028500000e+00  3.9859000000e-02
-ENERGY -1.526536274966e+02
-FORCES -3.7143000000e-03 -2.2972000000e-03  1.5597000000e-03  4.0900000000e-05  2.7072000000e-03 -2.7286000000e-03  3.6800000000e-03 -2.9360000000e-04  1.2006000000e-03  4.5082000000e-03  3.3010000000e-04  1.0768000000e-03 -1.5576000000e-03  2.9300000000e-04 -3.4907000000e-03 -2.9572000000e-03 -7.3950000000e-04  2.3821000000e-03
-
-JOB 72
-COORDS  1.4272180000e+00 -2.7436850000e+00 -1.3707500000e-01  2.0212640000e+00 -3.4870860000e+00 -3.3653000000e-02  1.6269680000e+00 -2.1719390000e+00  6.0416500000e-01 -1.4623130000e+00  2.7446990000e+00  2.7959000000e-02 -1.3416630000e+00  2.0879090000e+00  7.1374500000e-01 -1.6516270000e+00  3.5545130000e+00  5.0187200000e-01
-ENERGY -1.526537779038e+02
-FORCES  3.3845000000e-03 -6.9930000000e-04  3.2290000000e-03 -2.4551000000e-03  3.0432000000e-03 -3.8480000000e-04 -9.8730000000e-04 -2.2895000000e-03 -2.8695000000e-03 -4.1040000000e-04  4.6120000000e-04  4.5864000000e-03 -3.5000000000e-04  2.7934000000e-03 -2.6357000000e-03  8.1830000000e-04 -3.3089000000e-03 -1.9254000000e-03
-
-JOB 73
-COORDS  2.8158200000e-01  1.9878390000e+00  2.4501390000e+00  3.9054800000e-01  1.5093300000e+00  3.2719580000e+00  1.1637370000e+00  2.0361070000e+00  2.0817560000e+00 -3.0206200000e-01 -2.0096930000e+00 -2.5024570000e+00 -1.0869070000e+00 -1.5109560000e+00 -2.7294170000e+00 -5.7546000000e-02 -1.6902470000e+00 -1.6338960000e+00
-ENERGY -1.526544709525e+02
-FORCES  4.1559000000e-03 -1.3702000000e-03  2.2403000000e-03 -4.6680000000e-04  1.8666000000e-03 -3.5021000000e-03 -3.7383000000e-03 -4.0580000000e-04  1.3506000000e-03 -2.3975000000e-03  3.4915000000e-03  2.7179000000e-03  3.2088000000e-03 -2.1183000000e-03  7.9260000000e-04 -7.6210000000e-04 -1.4638000000e-03 -3.5993000000e-03
-
-JOB 74
-COORDS -2.4920750000e+00 -1.0148000000e+00 -2.1414240000e+00 -2.5142980000e+00 -1.6702100000e+00 -2.8386870000e+00 -2.1856640000e+00 -1.4938430000e+00 -1.3714490000e+00  2.4534290000e+00  1.0603800000e+00  2.1882880000e+00  3.0222290000e+00  5.7184700000e-01  1.5932810000e+00  2.3153640000e+00  1.9011420000e+00  1.7520660000e+00
-ENERGY -1.526542620639e+02
-FORCES  1.0385000000e-03 -4.6579000000e-03  4.6070000000e-04  1.4580000000e-04  2.6918000000e-03  2.8078000000e-03 -1.2210000000e-03  1.9311000000e-03 -3.2993000000e-03  1.7175000000e-03  1.6218000000e-03 -4.2673000000e-03 -2.3298000000e-03  1.8754000000e-03  2.4541000000e-03  6.4900000000e-04 -3.4623000000e-03  1.8440000000e-03
-
-JOB 75
-COORDS -3.2547860000e+00  1.3297340000e+00 -4.1012100000e-01 -3.4130720000e+00  1.4596480000e+00  5.2491900000e-01 -4.1270180000e+00  1.3360930000e+00 -8.0433300000e-01  3.2775810000e+00 -1.3797050000e+00  3.7164100000e-01  3.6888970000e+00 -1.1202280000e+00  1.1960940000e+00  3.5510470000e+00 -7.0926400000e-01 -2.5442300000e-01
-ENERGY -1.526539457843e+02
-FORCES -4.1518000000e-03  3.5030000000e-04  2.2530000000e-03  6.1070000000e-04 -4.1660000000e-04 -3.8169000000e-03  3.5524000000e-03  2.6900000000e-05  1.5906000000e-03  2.5558000000e-03  3.9326000000e-03  6.7620000000e-04 -1.6363000000e-03 -1.1006000000e-03 -3.3001000000e-03 -9.3080000000e-04 -2.7925000000e-03  2.5972000000e-03
-
-JOB 76
-COORDS -2.2250830000e+00  1.1659370000e+00 -2.6919080000e+00 -2.2949040000e+00  7.1603800000e-01 -1.8499180000e+00 -1.2906940000e+00  1.1447880000e+00 -2.8985510000e+00  2.1639230000e+00 -1.1646000000e+00  2.5912100000e+00  2.9836710000e+00 -9.4744300000e-01  3.0351550000e+00  1.4803110000e+00 -9.0195600000e-01  3.2075900000e+00
-ENERGY -1.526543848906e+02
-FORCES  3.6920000000e-03 -2.0641000000e-03  2.6289000000e-03  1.1830000000e-04  1.9130000000e-03 -3.4022000000e-03 -3.8686000000e-03  1.8980000000e-04  7.4380000000e-04  7.3700000000e-04  1.8507000000e-03  4.5144000000e-03 -3.3851000000e-03 -8.6290000000e-04 -1.8332000000e-03  2.7063000000e-03 -1.0265000000e-03 -2.6516000000e-03
-
-JOB 77
-COORDS -6.7485100000e-01  3.0476570000e+00  2.2956340000e+00 -1.1735060000e+00  3.5044830000e+00  2.9730450000e+00 -6.8373600000e-01  2.1302610000e+00  2.5686500000e+00  7.1988800000e-01 -2.9752090000e+00 -2.3935620000e+00  9.2853700000e-01 -3.0161320000e+00 -1.4602760000e+00  2.3800800000e-01 -3.7837850000e+00 -2.5674220000e+00
-ENERGY -1.526538698769e+02
-FORCES -2.0987000000e-03 -1.8420000000e-03  3.7920000000e-03  2.0459000000e-03 -1.8825000000e-03 -2.7539000000e-03  6.3600000000e-05  3.6903000000e-03 -1.0632000000e-03 -1.0795000000e-03 -3.4005000000e-03  3.0404000000e-03 -8.9270000000e-04  1.3460000000e-04 -3.7525000000e-03  1.9614000000e-03  3.3000000000e-03  7.3720000000e-04
-
-JOB 78
-COORDS -9.3180300000e-01  1.7822290000e+00 -3.4185840000e+00 -6.0139600000e-01  2.4764160000e+00 -2.8483500000e+00 -6.5358400000e-01  9.7048500000e-01 -2.9944410000e+00  8.9445200000e-01 -1.7147720000e+00  3.3748480000e+00  1.6320980000e+00 -2.3234820000e+00  3.3350860000e+00  1.5098600000e-01 -2.2164990000e+00  3.0405440000e+00
-ENERGY -1.526542229962e+02
-FORCES  2.5243000000e-03 -4.0450000000e-04  4.1681000000e-03 -1.3651000000e-03 -2.8197000000e-03 -2.4027000000e-03 -1.1736000000e-03  3.2164000000e-03 -1.8051000000e-03 -2.4300000000e-05 -4.6581000000e-03 -1.2647000000e-03 -3.0274000000e-03  2.5324000000e-03  7.4200000000e-05  3.0661000000e-03  2.1335000000e-03  1.2303000000e-03
-
-JOB 79
-COORDS -2.5025030000e+00  9.9613200000e-01  2.7960200000e+00 -3.1684670000e+00  3.9252400000e-01  2.4668080000e+00 -2.4060460000e+00  7.6623800000e-01  3.7201830000e+00  2.5381500000e+00 -1.0120690000e+00 -2.8440760000e+00  3.2594670000e+00 -4.6724200000e-01 -2.5292790000e+00  1.8014010000e+00 -4.0736700000e-01 -2.9322100000e+00
-ENERGY -1.526542622143e+02
-FORCES -2.3328000000e-03 -3.4830000000e-03  2.4854000000e-03  2.7102000000e-03  2.5081000000e-03  1.3143000000e-03 -3.9830000000e-04  9.6860000000e-04 -3.7665000000e-03 -1.4280000000e-04  4.7778000000e-03  1.0802000000e-03 -2.8621000000e-03 -2.2537000000e-03 -1.3440000000e-03  3.0257000000e-03 -2.5178000000e-03  2.3060000000e-04
-
-JOB 80
-COORDS  4.6481400000e-01  4.1261110000e+00 -5.0205300000e-01 -4.8676100000e-01  4.0858510000e+00 -4.0657600000e-01  6.3864100000e-01  3.7151260000e+00 -1.3488750000e+00 -4.4241500000e-01 -4.0857750000e+00  4.7585200000e-01 -9.5959000000e-01 -4.5938730000e+00  1.1008310000e+00  3.6731900000e-01 -3.8821230000e+00  9.4392100000e-01
-ENERGY -1.526542387237e+02
-FORCES -3.2173000000e-03 -1.9456000000e-03 -3.1065000000e-03  3.8798000000e-03  2.3430000000e-04 -3.5710000000e-04 -6.6680000000e-04  1.7425000000e-03  3.4531000000e-03  1.2443000000e-03 -1.2570000000e-03  4.5113000000e-03  2.0852000000e-03  2.0758000000e-03 -2.5623000000e-03 -3.3254000000e-03 -8.5000000000e-04 -1.9385000000e-03
-
-JOB 81
-COORDS  2.9824610000e+00 -1.8170290000e+00  2.5615970000e+00  3.2324930000e+00 -1.1918750000e+00  1.8812310000e+00  3.6877010000e+00 -2.4642260000e+00  2.5637290000e+00 -3.0011960000e+00  1.8509390000e+00 -2.5630380000e+00 -2.7611700000e+00  1.1127200000e+00 -2.0029910000e+00 -3.9274400000e+00  2.0031550000e+00 -2.3755960000e+00
-ENERGY -1.526542208628e+02
-FORCES  3.9897000000e-03 -6.1900000000e-05 -2.7396000000e-03 -1.0788000000e-03 -2.5800000000e-03  2.7723000000e-03 -2.8952000000e-03  2.6281000000e-03 -1.1700000000e-05 -2.8320000000e-03 -2.4090000000e-03  3.1165000000e-03 -9.5000000000e-04  3.0303000000e-03 -2.3444000000e-03  3.7662000000e-03 -6.0760000000e-04 -7.9310000000e-04
-
-JOB 82
-COORDS  2.3136960000e+00 -2.9958820000e+00 -2.0847170000e+00  2.4085090000e+00 -2.6637790000e+00 -2.9774380000e+00  3.1515020000e+00 -3.4184350000e+00 -1.8956100000e+00 -2.3164890000e+00  3.0218360000e+00  2.0843840000e+00 -3.0154600000e+00  3.4873530000e+00  2.5436930000e+00 -2.4209070000e+00  2.1084800000e+00  2.3510500000e+00
-ENERGY -1.526540976926e+02
-FORCES  3.8165000000e-03 -2.5070000000e-04 -2.8857000000e-03 -3.7900000000e-04 -1.4199000000e-03  3.6278000000e-03 -3.4246000000e-03  1.6839000000e-03 -7.5960000000e-04 -3.2137000000e-03 -1.9659000000e-03  2.9047000000e-03  2.8416000000e-03 -1.8577000000e-03 -1.8675000000e-03  3.5930000000e-04  3.8103000000e-03 -1.0196000000e-03
-
-JOB 83
-COORDS -3.1805460000e+00 -1.3909260000e+00 -2.8332670000e+00 -3.8265930000e+00 -6.8542800000e-01 -2.7996900000e+00 -2.3640810000e+00 -9.8257200000e-01 -2.5454070000e+00  3.1542140000e+00  1.3887790000e+00  2.7863800000e+00  3.7448880000e+00  7.1219500000e-01  2.4553670000e+00  2.9230680000e+00  1.0953360000e+00  3.6676830000e+00
-ENERGY -1.526542341714e+02
-FORCES  7.2760000000e-04  4.6161000000e-03  1.3390000000e-03  2.5954000000e-03 -2.9001000000e-03 -1.5430000000e-04 -3.3422000000e-03 -1.7311000000e-03 -1.2046000000e-03  1.5580000000e-03 -3.9529000000e-03  2.3339000000e-03 -2.4547000000e-03  2.7664000000e-03  1.3090000000e-03  9.1590000000e-04  1.2016000000e-03 -3.6230000000e-03
-
-JOB 84
-COORDS -9.3352000000e-02 -3.2863550000e+00  3.1312520000e+00 -2.8762400000e-01 -3.3915130000e+00  2.1998920000e+00 -8.0649900000e-01 -3.7423630000e+00  3.5781400000e+00  1.5854500000e-01  3.3160950000e+00 -3.0393800000e+00 -7.2137700000e-01  3.3914040000e+00 -3.4085650000e+00  7.3184700000e-01  3.2302700000e+00 -3.8010820000e+00
-ENERGY -1.526539971289e+02
-FORCES -3.6901000000e-03 -2.1603000000e-03 -2.0333000000e-03  7.7490000000e-04  3.3040000000e-04  3.8237000000e-03  2.9066000000e-03  1.8301000000e-03 -1.8084000000e-03 -1.2046000000e-03  1.7400000000e-05 -4.5855000000e-03  3.5772000000e-03 -3.4500000000e-04  1.5044000000e-03 -2.3640000000e-03  3.2740000000e-04  3.0992000000e-03
-
-JOB 85
-COORDS  3.1780720000e+00 -3.3758080000e+00  5.5838200000e-01  3.4158460000e+00 -4.2617490000e+00  8.3188400000e-01  3.4023970000e+00 -3.3434090000e+00 -3.7159700000e-01 -3.2104350000e+00  3.4649750000e+00 -4.7341400000e-01 -3.2353650000e+00  2.5086150000e+00 -4.4203600000e-01 -3.0544750000e+00  3.6708670000e+00 -1.3951070000e+00
-ENERGY -1.526540805781e+02
-FORCES  1.9690000000e-03 -3.4924000000e-03 -2.6160000000e-03 -9.9240000000e-04  3.6166000000e-03 -1.1400000000e-03 -9.7070000000e-04 -1.1870000000e-04  3.7697000000e-03  6.2750000000e-04 -3.1262000000e-03 -3.5581000000e-03  2.8800000000e-05  3.9356000000e-03 -1.8280000000e-04 -6.6230000000e-04 -8.1490000000e-04  3.7271000000e-03
-
-JOB 86
-COORDS  4.5630260000e+00  3.8679300000e-01  2.6740940000e+00  4.5039530000e+00  4.1461200000e-01  1.7191240000e+00  3.6697820000e+00  2.0241100000e-01  2.9645250000e+00 -4.5597240000e+00 -3.8960500000e-01 -2.5911700000e+00 -4.4724180000e+00 -8.4452700000e-01 -3.4288190000e+00 -3.8395390000e+00  2.4088500000e-01 -2.5842830000e+00
-ENERGY -1.526540366566e+02
-FORCES -3.8872000000e-03 -6.6430000000e-04 -2.6581000000e-03  2.3170000000e-04 -9.9600000000e-05  3.8683000000e-03  3.6550000000e-03  7.6930000000e-04 -1.2206000000e-03  3.1978000000e-03  7.2950000000e-04 -3.4567000000e-03 -3.1770000000e-04  1.8600000000e-03  3.4456000000e-03 -2.8795000000e-03 -2.5949000000e-03  2.1500000000e-05
-
-JOB 87
-COORDS -8.6702000000e-02 -2.8476240000e+00  4.5264030000e+00  4.3579400000e-01 -3.6456350000e+00  4.6064590000e+00 -9.1845400000e-01 -3.1416160000e+00  4.1549340000e+00  8.8767000000e-02  2.9524620000e+00 -4.5499280000e+00 -4.4801900000e-01  2.4023310000e+00 -3.9794460000e+00  9.8092900000e-01  2.6288600000e+00 -4.4251900000e+00
-ENERGY -1.526541090158e+02
-FORCES -1.2791000000e-03 -4.4885000000e-03 -1.0842000000e-03 -2.1282000000e-03  3.2704000000e-03 -3.6690000000e-04  3.4105000000e-03  1.2231000000e-03  1.4610000000e-03  1.4702000000e-03 -3.5348000000e-03  2.9035000000e-03  2.1672000000e-03  2.2230000000e-03 -2.3666000000e-03 -3.6406000000e-03  1.3068000000e-03 -5.4680000000e-04
-
-JOB 88
-COORDS -7.7845600000e-01 -3.0759510000e+00 -4.3566680000e+00  5.6243000000e-02 -2.7494760000e+00 -4.0206280000e+00 -5.8244100000e-01 -3.3626080000e+00 -5.2486540000e+00  6.8841700000e-01  3.0546130000e+00  4.4506060000e+00  9.6846000000e-01  2.4965740000e+00  3.7250720000e+00  9.2202600000e-01  3.9411670000e+00  4.1755050000e+00
-ENERGY -1.526540294041e+02
-FORCES  4.1807000000e-03  1.0490000000e-04 -2.2977000000e-03 -3.3983000000e-03 -1.2899000000e-03 -1.3445000000e-03 -7.8890000000e-04  1.1887000000e-03  3.6499000000e-03  2.0370000000e-03  1.3309000000e-03 -4.0895000000e-03 -1.0998000000e-03  2.2834000000e-03  2.9589000000e-03 -9.3070000000e-04 -3.6181000000e-03  1.1229000000e-03
-
-JOB 89
-COORDS -1.0969130000e+00 -5.5393110000e+00  2.4637450000e+00 -1.8753630000e+00 -5.9646050000e+00  2.8234290000e+00 -4.9511800000e-01 -6.2595760000e+00  2.2758780000e+00  1.1307800000e+00  5.5656020000e+00 -2.4271080000e+00  1.2886500000e+00  5.4762940000e+00 -3.3669660000e+00  4.7046900000e-01  6.2552400000e+00 -2.3591380000e+00
-ENERGY -1.526540056847e+02
-FORCES -6.9910000000e-04 -4.6449000000e-03  7.0000000000e-04  3.1693000000e-03  1.7280000000e-03 -1.4692000000e-03 -2.4660000000e-03  2.9250000000e-03  7.6690000000e-04 -2.0742000000e-03  2.3996000000e-03 -3.5375000000e-03 -6.3360000000e-04  3.8550000000e-04  3.8257000000e-03  2.7036000000e-03 -2.7931000000e-03 -2.8590000000e-04
-
-JOB 0
-COORDS -9.1736000000e-02  1.2488030000e+00 -7.5580000000e-03  6.5373800000e-01  1.8453420000e+00 -7.5685000000e-02 -8.5441300000e-01  1.8238860000e+00  5.4365000000e-02  1.0627600000e-01 -1.3512630000e+00 -4.9210000000e-02 -2.0101000000e-02 -4.0437600000e-01  1.1329000000e-02  2.0772000000e-02 -1.6628810000e+00  8.5179800000e-01
-ENERGY -1.526589238747e+02
-FORCES  1.4027000000e-03 -1.0042800000e-02 -8.0000000000e-04 -5.2489000000e-03 -1.1411000000e-03  6.7530000000e-04  5.0651000000e-03 -1.4028000000e-03  1.3000000000e-06 -1.6003000000e-03  1.7656100000e-02  1.8260000000e-03  4.8570000000e-04 -7.3336000000e-03  3.5900000000e-04 -1.0440000000e-04  2.2641000000e-03 -2.0616000000e-03
-
-JOB 1
-COORDS -1.1962370000e+00  3.9488100000e-01 -2.3996200000e-01 -1.0779320000e+00  1.2163000000e+00  2.3701500000e-01 -1.5227390000e+00  6.6130600000e-01 -1.0994070000e+00  1.2624200000e+00 -4.8214400000e-01  2.3342000000e-01  3.6593700000e-01 -7.0114300000e-01 -2.0722000000e-02  1.1624520000e+00  1.2883400000e-01  9.6345000000e-01
-ENERGY -1.526548690103e+02
-FORCES  9.6862000000e-03  2.5793000000e-03 -2.5910000000e-04 -3.6040000000e-04 -3.8783000000e-03 -1.4767000000e-03  1.8537000000e-03 -9.7260000000e-04  4.1971000000e-03 -1.7101700000e-02  6.6632000000e-03 -1.4746000000e-03  5.1559000000e-03 -4.3475000000e-03  3.9330000000e-04  7.6630000000e-04 -4.4100000000e-05 -1.3800000000e-03
-
-JOB 2
-COORDS  2.5050700000e-01  6.4103500000e-01 -1.0889090000e+00 -6.8897500000e-01  8.2393900000e-01 -1.1012160000e+00  6.3545600000e-01  1.3255600000e+00 -1.6361490000e+00 -2.0202400000e-01 -6.8524100000e-01  1.1784690000e+00  2.5327100000e-01 -3.6367300000e-01  4.0030900000e-01 -9.9710400000e-01 -1.0959430000e+00  8.3875800000e-01
-ENERGY -1.526575470102e+02
-FORCES -2.0690000000e-03  1.2900000000e-04  5.7218000000e-03  4.7890000000e-03 -2.1076000000e-03 -4.3710000000e-04 -3.7290000000e-03 -2.4853000000e-03  2.3521000000e-03  3.5677000000e-03  4.9654000000e-03 -1.2730900000e-02 -4.1558000000e-03 -3.5278000000e-03  4.9908000000e-03  1.5971000000e-03  3.0262000000e-03  1.0330000000e-04
-
-JOB 3
-COORDS  4.4019200000e-01  1.0973380000e+00 -5.0125500000e-01 -9.4174000000e-02  1.8430790000e+00 -7.7430300000e-01  1.2049950000e+00  1.4910590000e+00 -8.1385000000e-02 -5.0582100000e-01 -1.1938510000e+00  5.2399100000e-01 -3.8131700000e-01 -2.4500700000e-01  5.4461600000e-01  2.5766000000e-01 -1.5258660000e+00  5.1662000000e-02
-ENERGY -1.526576200429e+02
-FORCES -1.3715000000e-03 -1.4213000000e-03  4.6740000000e-04  2.9752000000e-03 -3.9221000000e-03  2.5769000000e-03 -4.7070000000e-03 -2.9478000000e-03 -1.6714000000e-03  7.9424000000e-03  1.3255600000e-02 -9.0732000000e-03 -3.4288000000e-03 -3.5393000000e-03  5.5287000000e-03 -1.4103000000e-03 -1.4250000000e-03  2.1717000000e-03
-
-JOB 4
-COORDS  7.1939500000e-01 -8.2584300000e-01 -7.3812100000e-01  1.1507160000e+00 -1.5257890000e+00 -2.4794700000e-01  1.3044260000e+00 -6.5384600000e-01 -1.4759470000e+00 -7.6443700000e-01  9.1248400000e-01  7.8010800000e-01 -1.1084000000e-01  3.2734600000e-01  3.9715100000e-01 -1.5893690000e+00  4.3283100000e-01  7.0491800000e-01
-ENERGY -1.526602183531e+02
-FORCES  8.3880000000e-04  2.6387000000e-03 -4.5730000000e-04 -2.4549000000e-03  4.5606000000e-03 -2.2056000000e-03 -2.2091000000e-03 -2.5336000000e-03  3.8975000000e-03  5.2336000000e-03 -9.7996000000e-03 -9.3145000000e-03 -3.4862000000e-03  3.9616000000e-03  7.3843000000e-03  2.0777000000e-03  1.1722000000e-03  6.9560000000e-04
-
-JOB 5
-COORDS  6.6937700000e-01  1.0977510000e+00  2.4415800000e-01  9.4087300000e-01  1.7542180000e+00 -3.9738100000e-01  9.9131400000e-01  1.4325900000e+00  1.0811000000e+00 -7.6558900000e-01 -1.1684480000e+00 -2.8117900000e-01 -2.8366900000e-01 -3.5384300000e-01 -1.3833800000e-01 -1.7556200000e-01 -1.8543120000e+00  3.1377000000e-02
-ENERGY -1.526606632023e+02
-FORCES -2.0611000000e-03 -2.2542000000e-03  8.0400000000e-05 -6.9110000000e-04 -2.4959000000e-03  4.3559000000e-03 -3.1370000000e-04 -3.8460000000e-04 -4.8928000000e-03  9.0018000000e-03  9.8549000000e-03  3.4331000000e-03 -4.5213000000e-03 -6.7891000000e-03 -2.6461000000e-03 -1.4147000000e-03  2.0690000000e-03 -3.3070000000e-04
-
-JOB 6
-COORDS -1.7145600000e-01 -5.8731100000e-01 -1.2065090000e+00 -7.2071300000e-01 -1.0260650000e+00 -5.5686000000e-01 -5.5642000000e-02 -1.2363030000e+00 -1.9005030000e+00  2.4358400000e-01  6.7529000000e-01  1.2547520000e+00 -7.0334100000e-01  5.7109800000e-01  1.3480760000e+00  4.3172200000e-01  3.7402700000e-01  3.6588900000e-01
-ENERGY -1.526572084017e+02
-FORCES -1.6330000000e-04 -3.3726000000e-03  7.6960000000e-04  3.5865000000e-03  4.7369000000e-03 -1.5509000000e-03 -1.8498000000e-03  2.3461000000e-03  3.8607000000e-03 -1.9801000000e-03 -1.7293000000e-03 -9.9477000000e-03  2.8747000000e-03 -2.0510000000e-03 -7.8400000000e-04 -2.4679000000e-03  6.9900000000e-05  7.6524000000e-03
-
-JOB 7
-COORDS -4.0521400000e-01  1.1260050000e+00  6.2324600000e-01 -3.9486000000e-02  1.7689380000e+00  1.5701000000e-02 -1.2498420000e+00  1.4942240000e+00  8.8257100000e-01  4.8858000000e-01 -1.1589190000e+00 -6.2648200000e-01  1.2384600000e-01 -2.0380220000e+00 -7.2835700000e-01 -1.8002200000e-01 -6.7657500000e-01 -1.4012100000e-01
-ENERGY -1.526599974708e+02
-FORCES  2.0824000000e-03  3.1754000000e-03 -3.4539000000e-03 -3.1454000000e-03 -2.0798000000e-03  3.7447000000e-03  3.8375000000e-03 -2.4476000000e-03 -1.8998000000e-03 -4.4099000000e-03  6.1311000000e-03  5.3363000000e-03 -2.9230000000e-04  3.9698000000e-03  1.4352000000e-03  1.9277000000e-03 -8.7489000000e-03 -5.1625000000e-03
-
-JOB 8
-COORDS  9.0858700000e-01  9.2043000000e-01 -6.1670000000e-01  1.4256310000e+00  6.2240600000e-01 -1.3650840000e+00  3.7719700000e-01  1.6191200000e-01 -3.7481900000e-01 -8.6732400000e-01 -8.5913700000e-01  5.9901900000e-01 -9.6823800000e-01 -1.5671800000e+00  1.2351980000e+00 -1.5320130000e+00 -2.1672800000e-01  8.4747200000e-01
-ENERGY -1.526611997838e+02
-FORCES -4.4032000000e-03 -8.4994000000e-03  2.6876000000e-03 -1.9162000000e-03 -2.0490000000e-04  2.7009000000e-03  3.7290000000e-03  7.6280000000e-03 -5.0777000000e-03  4.8470000000e-04  1.4818000000e-03  2.9204000000e-03 -1.2859000000e-03  3.5880000000e-03 -2.2765000000e-03  3.3916000000e-03 -3.9935000000e-03 -9.5460000000e-04
-
-JOB 9
-COORDS  1.2407020000e+00  2.9061200000e-01  4.8047700000e-01  1.9404700000e+00  6.1559300000e-01 -8.6042000000e-02  1.1192250000e+00  9.8119700000e-01  1.1320660000e+00 -1.3224220000e+00 -4.0230500000e-01 -4.8220600000e-01 -1.3361240000e+00  3.3975400000e-01 -1.0866840000e+00 -5.0906800000e-01 -2.9513100000e-01  1.0947000000e-02
-ENERGY -1.526598574019e+02
-FORCES  8.4320000000e-04  2.3349000000e-03 -2.4470000000e-03 -3.2040000000e-03 -2.4050000000e-04  3.6093000000e-03 -3.0660000000e-04 -3.4523000000e-03 -4.3879000000e-03  1.2233500000e-02  4.7284000000e-03  1.7146000000e-03 -5.6990000000e-04 -1.7943000000e-03  1.2869000000e-03 -8.9962000000e-03 -1.5762000000e-03  2.2410000000e-04
-
-JOB 10
-COORDS -6.4378500000e-01  5.5247700000e-01 -1.0970720000e+00 -8.5521100000e-01 -2.0965000000e-02 -1.8337500000e+00  8.0875000000e-02  1.0920510000e+00 -1.4132360000e+00  6.2460100000e-01 -5.9405700000e-01  1.1462260000e+00  1.2403100000e-01 -3.4821800000e-01  1.9241880000e+00  8.0170700000e-01  2.3552100000e-01  7.0275500000e-01
-ENERGY -1.526515395562e+02
-FORCES  2.2087000000e-03 -5.2812000000e-03 -1.9099000000e-03  4.6570000000e-04  3.3416000000e-03  2.5270000000e-03 -1.6954000000e-03 -2.9778000000e-03  4.8764000000e-03 -7.1157000000e-03  6.6017000000e-03 -5.3641000000e-03  2.0036000000e-03 -1.1563000000e-03 -2.5279000000e-03  4.1330000000e-03 -5.2800000000e-04  2.3985000000e-03
-
-JOB 11
-COORDS  8.5591100000e-01 -1.1609630000e+00 -2.9827000000e-02  1.2659180000e+00 -7.4781900000e-01 -7.8972000000e-01  6.5690000000e-03 -1.4641590000e+00 -3.5064100000e-01 -8.4696100000e-01  1.1904590000e+00  3.8886000000e-02 -2.2971500000e-01  4.6120000000e-01  9.7374000000e-02 -1.1870410000e+00  1.2889370000e+00  9.2820000000e-01
-ENERGY -1.526591334439e+02
-FORCES -1.5090000000e-04 -2.7700000000e-03 -5.8827000000e-03 -4.2671000000e-03 -1.6680000000e-04  5.5551000000e-03  4.0295000000e-03  5.7616000000e-03  3.4155000000e-03  6.4262000000e-03 -6.7066000000e-03  5.2760000000e-03 -6.9769000000e-03  4.7841000000e-03 -5.3014000000e-03  9.3920000000e-04 -9.0240000000e-04 -3.0625000000e-03
-
-JOB 12
-COORDS -1.3237790000e+00  6.1010700000e-01  4.8748000000e-02 -4.1557100000e-01  3.3802300000e-01  1.8050800000e-01 -1.6119130000e+00  9.1009000000e-01  9.1085000000e-01  1.2308070000e+00 -5.7351200000e-01 -8.8759000000e-02  1.9865040000e+00 -2.8704100000e-01 -6.0167900000e-01  1.4624840000e+00 -1.4531810000e+00  2.0913300000e-01
-ENERGY -1.526611244997e+02
-FORCES  8.9245000000e-03 -3.4106000000e-03  1.3883000000e-03 -8.6757000000e-03  4.8636000000e-03  1.5225000000e-03  1.9028000000e-03 -1.6077000000e-03 -2.3580000000e-03  2.1300000000e-04 -1.5410000000e-03 -1.6086000000e-03 -2.7761000000e-03 -2.5695000000e-03  2.7593000000e-03  4.1150000000e-04  4.2653000000e-03 -1.7034000000e-03
-
-JOB 13
-COORDS  1.2050210000e+00  6.2747400000e-01 -5.6668600000e-01  1.5986790000e+00  1.2197200000e+00  7.4024000000e-02  4.0622300000e-01  3.1273200000e-01 -1.4349700000e-01 -1.1814460000e+00 -5.9700400000e-01  4.4450800000e-01 -4.9978900000e-01 -1.2591330000e+00  5.5923100000e-01 -1.7324580000e+00 -6.8253100000e-01  1.2225210000e+00
-ENERGY -1.526586900160e+02
-FORCES -8.1013000000e-03  1.1833000000e-03  4.8329000000e-03 -1.5360000000e-03 -2.2981000000e-03 -1.6848000000e-03  9.3725000000e-03 -3.6569000000e-03 -1.8257000000e-03 -1.0518000000e-03 -2.6420000000e-03  3.3379000000e-03 -1.5736000000e-03  8.1680000000e-03 -9.7460000000e-04  2.8901000000e-03 -7.5430000000e-04 -3.6856000000e-03
-
-JOB 14
-COORDS  1.3548190000e+00 -1.6032700000e-01  4.5135700000e-01  1.6552980000e+00 -8.7204500000e-01 -1.1379900000e-01  1.4334400000e+00  6.2531800000e-01 -8.9765000000e-02 -1.3836360000e+00  1.6644200000e-01 -4.6425700000e-01 -2.0514190000e+00 -5.8426000000e-02  1.8361100000e-01 -5.7289000000e-01  2.3357300000e-01  4.0139000000e-02
-ENERGY -1.526595134883e+02
-FORCES  2.9378000000e-03 -2.4278000000e-03 -5.9657000000e-03 -6.1340000000e-04  3.9378000000e-03  2.9806000000e-03 -4.9212000000e-03 -4.5950000000e-03  3.4087000000e-03  6.2903000000e-03 -2.8100000000e-03  6.9927000000e-03  2.5978000000e-03  4.9960000000e-04 -1.9146000000e-03 -6.2914000000e-03  5.3954000000e-03 -5.5018000000e-03
-
-JOB 15
-COORDS -1.0492850000e+00  7.0830300000e-01  7.9121600000e-01 -1.0195520000e+00  1.6334740000e+00  5.4748100000e-01 -1.4489800000e-01  4.0756600000e-01  7.0248200000e-01  1.0482640000e+00 -7.0483700000e-01 -7.8073700000e-01  9.7755000000e-01 -1.5911040000e+00 -4.2610700000e-01  1.5051600000e-01 -4.6657200000e-01 -1.0120560000e+00
-ENERGY -1.526594173381e+02
-FORCES  7.1405000000e-03  2.2138000000e-03  1.7780000000e-04 -3.6000000000e-06 -4.1651000000e-03  3.4000000000e-05 -8.3721000000e-03  7.5090000000e-04 -1.1295000000e-03 -5.2887000000e-03 -4.3395000000e-03 -2.3575000000e-03  1.7360000000e-04  4.8706000000e-03 -6.9100000000e-04  6.3503000000e-03  6.6940000000e-04  3.9662000000e-03
-
-JOB 16
-COORDS  1.1956330000e+00  3.4676000000e-01 -8.8735600000e-01  3.0547100000e-01  2.7350000000e-02 -7.3963800000e-01  1.3786000000e+00  9.0540200000e-01 -1.3192700000e-01 -1.1197720000e+00 -3.1731600000e-01  7.9508200000e-01 -1.7716170000e+00 -9.5061700000e-01  4.9465100000e-01 -1.1056930000e+00 -4.2047100000e-01  1.7466030000e+00
-ENERGY -1.526588783442e+02
-FORCES -7.9270000000e-03 -2.2960000000e-04  8.6807000000e-03  3.7413000000e-03  1.6200000000e-04 -6.5588000000e-03  1.5468000000e-03 -8.6560000000e-04 -2.4145000000e-03 -2.3000000000e-04 -2.4787000000e-03  3.5915000000e-03  3.8373000000e-03  3.0031000000e-03  8.7920000000e-04 -9.6840000000e-04  4.0880000000e-04 -4.1781000000e-03
-
-JOB 17
-COORDS  7.4027400000e-01 -1.6695800000e-01 -1.2644630000e+00  1.6027980000e+00 -4.8803000000e-01 -1.5275160000e+00  8.2361600000e-01  3.7680000000e-03 -3.2630600000e-01 -7.5907400000e-01  1.2263400000e-01  1.2187010000e+00 -6.8561100000e-01  6.5059600000e-01  2.0137420000e+00 -1.3991240000e+00  5.8779700000e-01  6.8000600000e-01
-ENERGY -1.526597602567e+02
-FORCES  4.3100000000e-04 -1.0016000000e-03  6.4220000000e-03 -2.9106000000e-03  1.1962000000e-03  2.1731000000e-03  4.2156000000e-03  4.9860000000e-04 -8.2314000000e-03 -5.4694000000e-03  3.0576000000e-03 -2.0430000000e-04  3.6420000000e-04 -2.2451000000e-03 -4.1361000000e-03  3.3692000000e-03 -1.5057000000e-03  3.9766000000e-03
-
-JOB 18
-COORDS -2.1503000000e-02 -1.4089380000e+00 -2.0669400000e-01  5.2118200000e-01 -1.4614680000e+00 -9.9343700000e-01  2.2756500000e-01 -2.1763650000e+00  3.0833300000e-01  1.7153000000e-02  1.4850280000e+00  1.8740300000e-01 -2.6838200000e-01  1.7370500000e+00  1.0655750000e+00 -5.4516800000e-01  7.4608300000e-01 -4.4952000000e-02
-ENERGY -1.526577207850e+02
-FORCES  5.2431000000e-03 -9.3180000000e-04  3.3510000000e-04 -3.1468000000e-03 -3.9810000000e-04  3.2807000000e-03 -5.6600000000e-04  2.8579000000e-03 -2.5250000000e-03 -2.5942000000e-03 -8.3168000000e-03  2.6545000000e-03  1.0157000000e-03 -8.3430000000e-04 -2.7210000000e-03  4.8200000000e-05  7.6232000000e-03 -1.0243000000e-03
-
-JOB 19
-COORDS -2.2810900000e-01 -1.3849820000e+00 -2.7753000000e-01 -2.3492700000e-01 -2.3418110000e+00 -3.0330100000e-01 -3.9356700000e-01 -1.1193580000e+00 -1.1821290000e+00  2.2506200000e-01  1.4507980000e+00  2.6599400000e-01 -1.9259700000e-01  6.6829200000e-01  6.2582300000e-01  8.3174200000e-01  1.7349400000e+00  9.4968600000e-01
-ENERGY -1.526591926677e+02
-FORCES  4.5570000000e-04 -1.4477000000e-03 -4.7542000000e-03  5.3270000000e-04  4.1313000000e-03 -6.7710000000e-04 -3.4090000000e-04 -2.7586000000e-03  4.4045000000e-03  9.6930000000e-04 -6.6141000000e-03  3.5246000000e-03  5.2760000000e-04  7.7911000000e-03 -4.3030000000e-04 -2.1444000000e-03 -1.1019000000e-03 -2.0676000000e-03
-
-JOB 20
-COORDS  3.1235400000e-01  1.1484980000e+00  8.1880000000e-01  9.9646600000e-01  9.0440500000e-01  1.4422100000e+00  7.0308800000e-01  1.8483350000e+00  2.9555500000e-01 -4.1948400000e-01 -1.1803620000e+00 -8.6925600000e-01 -3.4785800000e-01 -4.9229600000e-01 -2.0769200000e-01  3.3426300000e-01 -1.7478560000e+00 -7.0786600000e-01
-ENERGY -1.526606364387e+02
-FORCES  4.5301000000e-03  3.3278000000e-03 -7.7090000000e-04 -3.0617000000e-03  4.1880000000e-04 -3.8490000000e-03 -1.1664000000e-03 -3.2205000000e-03  3.5090000000e-03  4.0396000000e-03  6.1552000000e-03  6.4360000000e-03 -2.3104000000e-03 -8.5320000000e-03 -5.0501000000e-03 -2.0312000000e-03  1.8507000000e-03 -2.7510000000e-04
-
-JOB 21
-COORDS -9.1030000000e-03 -8.3036600000e-01  1.2858200000e+00  1.2708900000e-01 -3.1391600000e-01  4.9148800000e-01 -9.2061600000e-01 -1.1175590000e+00  1.2320060000e+00  3.0047000000e-02  7.6866200000e-01 -1.1998890000e+00  1.5542000000e-02  1.7031900000e+00 -9.9330100000e-01  4.4826100000e-01  7.1936600000e-01 -2.0594810000e+00
-ENERGY -1.526617555286e+02
-FORCES -2.4772000000e-03  3.3686000000e-03 -8.8618000000e-03 -6.7300000000e-05 -3.5448000000e-03  9.0153000000e-03  2.6041000000e-03  7.2480000000e-04  6.7600000000e-04  1.8982000000e-03  2.6712000000e-03 -3.2203000000e-03  3.6930000000e-04 -4.8388000000e-03 -1.2891000000e-03 -2.3271000000e-03  1.6190000000e-03  3.6800000000e-03
-
-JOB 22
-COORDS  1.0976090000e+00 -1.4258700000e-01  8.9955100000e-01  1.5781830000e+00 -8.8972300000e-01  5.4308300000e-01  1.4831470000e+00  4.6100000000e-04  1.7639170000e+00 -1.1341760000e+00  2.2377000000e-01 -9.8707100000e-01 -5.4688300000e-01 -1.2607600000e-01 -3.1705000000e-01 -1.9982000000e+00 -1.1140200000e-01 -7.4758400000e-01
-ENERGY -1.526597097472e+02
-FORCES  3.7882000000e-03  2.1160000000e-04  3.1806000000e-03 -3.8810000000e-03  3.4379000000e-03  1.7606000000e-03 -4.4440000000e-04 -1.4773000000e-03 -4.1115000000e-03  3.0456000000e-03 -1.2121000000e-03  7.0228000000e-03 -5.7086000000e-03 -1.9315000000e-03 -7.5593000000e-03  3.2002000000e-03  9.7140000000e-04 -2.9320000000e-04
-
-JOB 23
-COORDS -3.9964800000e-01 -1.4861010000e+00  6.6781000000e-02  1.7727100000e-01 -1.7217190000e+00  7.9333500000e-01 -4.2348600000e-01 -5.2928700000e-01  7.9827000000e-02  3.5567400000e-01  1.3702690000e+00 -9.3515000000e-02 -2.4349500000e-01  2.0779710000e+00 -3.3097300000e-01  1.2154310000e+00  1.7886410000e+00 -4.8628000000e-02
-ENERGY -1.526601054051e+02
-FORCES  4.4251000000e-03  8.5891000000e-03  2.0409000000e-03 -1.5198000000e-03  4.1200000000e-05 -2.2109000000e-03 -4.5629000000e-03 -7.5094000000e-03  4.4940000000e-04  2.9622000000e-03  2.8161000000e-03 -1.2993000000e-03  3.0005000000e-03 -3.4815000000e-03  1.1751000000e-03 -4.3052000000e-03 -4.5560000000e-04 -1.5520000000e-04
-
-JOB 24
-COORDS -1.0302820000e+00 -5.9759000000e-02  1.1446860000e+00 -5.3678600000e-01 -8.7362400000e-01  1.0431080000e+00 -3.7400700000e-01  5.8856100000e-01  1.4000580000e+00  1.0224280000e+00  4.6568000000e-02 -1.1402260000e+00  8.0943900000e-01  7.6035200000e-01 -1.7413750000e+00  1.7330400000e-01 -2.6370900000e-01 -8.2566400000e-01
-ENERGY -1.526572421384e+02
-FORCES  6.6335000000e-03  5.9170000000e-04  3.8514000000e-03 -2.5822000000e-03  4.4150000000e-03 -4.1702000000e-03 -4.2694000000e-03 -2.7805000000e-03 -1.1100000000e-03 -7.3849000000e-03  2.5567000000e-03 -6.7050000000e-04  1.2254000000e-03 -2.5015000000e-03  2.4830000000e-03  6.3777000000e-03 -2.2814000000e-03 -3.8380000000e-04
-
-JOB 25
-COORDS  1.1656590000e+00 -6.3488800000e-01  5.6989500000e-01  1.9949420000e+00 -6.6418600000e-01  9.2754000000e-02  1.2750500000e+00 -1.2670450000e+00  1.2802780000e+00 -1.2794470000e+00  6.5330000000e-01 -6.0520000000e-01 -5.8892300000e-01  2.0513900000e-01 -1.1677400000e-01 -9.1496300000e-01  1.5170800000e+00 -7.9824400000e-01
-ENERGY -1.526612775780e+02
-FORCES  3.6600000000e-03 -2.8486000000e-03  9.4100000000e-05 -3.1563000000e-03 -1.8470000000e-04  3.1393000000e-03  4.3520000000e-04  2.7481000000e-03 -3.5771000000e-03  8.2235000000e-03 -1.1453000000e-03  3.4469000000e-03 -8.0563000000e-03  3.9637000000e-03 -3.1998000000e-03 -1.1060000000e-03 -2.5332000000e-03  9.6500000000e-05
-
-JOB 26
-COORDS -5.1942500000e-01  5.9619400000e-01  1.1989670000e+00 -1.1834570000e+00  1.2846790000e+00  1.2347730000e+00 -1.0514000000e-01  6.1724800000e-01  2.0616120000e+00  5.5377600000e-01 -6.5152100000e-01 -1.3203500000e+00  1.0219790000e+00 -8.9240700000e-01 -5.2098000000e-01 -2.5128200000e-01 -2.3625500000e-01 -1.0110480000e+00
-ENERGY -1.526577451270e+02
-FORCES  1.1850000000e-04  2.8287000000e-03  3.5397000000e-03  2.9623000000e-03 -3.4322000000e-03 -6.5780000000e-04 -1.8008000000e-03 -4.7700000000e-05 -3.8572000000e-03 -2.9498000000e-03  3.4064000000e-03  1.0131800000e-02  1.0897000000e-03 -1.2556000000e-03 -3.4785000000e-03  5.8010000000e-04 -1.4996000000e-03 -5.6781000000e-03
-
-JOB 27
-COORDS -8.9771400000e-01 -3.6045800000e-01 -1.2338270000e+00 -4.3732100000e-01 -8.0908000000e-02 -4.4254900000e-01 -2.0953000000e-01 -7.0558600000e-01 -1.8026170000e+00  7.9579100000e-01  3.5598600000e-01  1.1666200000e+00  1.1040990000e+00 -2.8719000000e-01  1.8049790000e+00  1.1555540000e+00  1.1887560000e+00  1.4720650000e+00
-ENERGY -1.526615714408e+02
-FORCES  7.0105000000e-03  1.3634000000e-03  5.0500000000e-03 -5.5302000000e-03 -2.4091000000e-03 -7.3822000000e-03 -2.2754000000e-03  7.6070000000e-04  1.4256000000e-03  2.3519000000e-03  9.9660000000e-04  4.0005000000e-03 -6.3650000000e-04  3.6865000000e-03 -2.6004000000e-03 -9.2030000000e-04 -4.3980000000e-03 -4.9350000000e-04
-
-JOB 28
-COORDS  8.4855800000e-01 -1.5124500000e-01 -1.2355700000e+00  1.3380750000e+00 -2.8639000000e-01 -4.2418800000e-01  1.3788160000e+00  4.6959000000e-01 -1.7351920000e+00 -8.9376800000e-01  9.8870000000e-02  1.2789000000e+00 -8.5564400000e-01 -3.8440800000e-01  4.5353900000e-01 -1.2009980000e+00  9.7122300000e-01  1.0322370000e+00
-ENERGY -1.526587045164e+02
-FORCES  4.8249000000e-03  2.8526000000e-03  1.9929000000e-03 -2.7986000000e-03 -2.6940000000e-04 -4.8432000000e-03 -1.8451000000e-03 -2.3637000000e-03  2.5252000000e-03 -9.3780000000e-04  2.4254000000e-03 -8.2245000000e-03  2.6400000000e-05  5.2000000000e-06  6.4187000000e-03  7.3010000000e-04 -2.6501000000e-03  2.1307000000e-03
-
-JOB 29
-COORDS  1.4575000000e-01  1.1560580000e+00 -1.0778740000e+00 -5.8172900000e-01  7.3520600000e-01 -1.5360110000e+00  3.3696000000e-02  8.9923300000e-01 -1.6260500000e-01 -1.0667600000e-01 -1.0601710000e+00  1.0229390000e+00  7.1359500000e-01 -1.4965620000e+00  1.2530480000e+00 -7.8987900000e-01 -1.6475820000e+00  1.3460720000e+00
-ENERGY -1.526591675362e+02
-FORCES -3.7879000000e-03 -7.2074000000e-03  4.8142000000e-03  1.9553000000e-03  2.3352000000e-03  1.8210000000e-04  1.3514000000e-03  5.8280000000e-03 -4.5238000000e-03  1.4306000000e-03 -4.6894000000e-03  1.6282000000e-03 -4.2122000000e-03  1.5598000000e-03 -3.2680000000e-04  3.2629000000e-03  2.1738000000e-03 -1.7739000000e-03
-
-JOB 30
-COORDS -5.7502600000e-01 -7.2437100000e-01  1.2833670000e+00  1.9024400000e-01 -8.9961100000e-01  1.8309840000e+00 -2.4689200000e-01 -1.5472300000e-01  5.8762200000e-01  4.6299600000e-01  6.9323900000e-01 -1.2713320000e+00  9.1934500000e-01  1.5173990000e+00 -1.1018120000e+00  1.1476000000e+00  9.8405000000e-02 -1.5774720000e+00
-ENERGY -1.526603094301e+02
-FORCES  4.2993000000e-03  3.7624000000e-03 -4.9730000000e-03 -2.1447000000e-03  7.3070000000e-04 -2.3148000000e-03 -2.0940000000e-03 -4.5815000000e-03  9.2393000000e-03  4.9878000000e-03  1.5507000000e-03 -4.6157000000e-03 -2.0141000000e-03 -4.7995000000e-03  1.4750000000e-04 -3.0343000000e-03  3.3372000000e-03  2.5168000000e-03
-
-JOB 31
-COORDS  2.1252700000e-01  1.0247740000e+00  1.1385470000e+00  1.1607080000e+00  9.3634400000e-01  1.2353150000e+00 -1.5071100000e-01  3.3357800000e-01  1.6922050000e+00 -2.0754300000e-01 -1.0144510000e+00 -1.2089890000e+00  2.9553000000e-02 -2.8830000000e-01 -6.3216800000e-01 -1.1627390000e+00 -9.7874600000e-01 -1.2595600000e+00
-ENERGY -1.526601633085e+02
-FORCES  2.7964000000e-03 -1.0960000000e-03  6.7104000000e-03 -5.2256000000e-03 -4.4720000000e-04 -1.6826000000e-03  1.6533000000e-03  3.1204000000e-03 -4.3000000000e-03 -2.5194000000e-03  7.0536000000e-03  3.8659000000e-03  1.7090000000e-04 -7.8639000000e-03 -5.1430000000e-03  3.1245000000e-03 -7.6680000000e-04  5.4930000000e-04
-
-JOB 32
-COORDS -8.5164500000e-01 -6.9648600000e-01 -1.1832750000e+00 -1.3650830000e+00 -1.2497630000e+00 -5.9463500000e-01 -3.7398200000e-01 -1.0539900000e-01 -6.0130700000e-01  8.2295400000e-01  7.4465400000e-01  1.0750120000e+00  1.5226940000e+00  1.3433300000e-01  8.4241100000e-01  5.8970200000e-01  5.1118100000e-01  1.9735200000e+00
-ENERGY -1.526598723364e+02
-FORCES  7.3370000000e-04  3.2846000000e-03  7.4356000000e-03  1.7883000000e-03  1.3219000000e-03 -2.0278000000e-03 -2.3110000000e-03 -5.8030000000e-03 -6.9205000000e-03  3.7895000000e-03 -2.0000000000e-03  5.5682000000e-03 -5.2329000000e-03  2.6131000000e-03  3.6530000000e-04  1.2325000000e-03  5.8340000000e-04 -4.4207000000e-03
-
-JOB 33
-COORDS -3.5713900000e-01  1.1037490000e+00  9.9381500000e-01  6.2227000000e-02  9.5199200000e-01  1.8407710000e+00 -2.7430000000e-03  1.9420350000e+00  6.9731600000e-01  3.3866200000e-01 -1.1683750000e+00 -9.8148100000e-01 -2.9192500000e-01 -4.4824600000e-01 -9.8388200000e-01  4.3239500000e-01 -1.4083640000e+00 -1.9033550000e+00
-ENERGY -1.526570200079e+02
-FORCES  5.1027000000e-03  1.0129000000e-03  3.9349000000e-03 -2.1237000000e-03  2.0856000000e-03 -2.8847000000e-03 -1.8612000000e-03 -3.7006000000e-03  4.8930000000e-04 -3.3809000000e-03  3.6856000000e-03 -5.1340000000e-04  2.5816000000e-03 -4.8949000000e-03 -4.7665000000e-03 -3.1840000000e-04  1.8114000000e-03  3.7404000000e-03
-
-JOB 34
-COORDS -1.2383430000e+00  4.2146900000e-01  9.6279100000e-01 -4.6091300000e-01  9.7973600000e-01  9.7591300000e-01 -9.0648200000e-01 -4.4678100000e-01  7.3422400000e-01  1.1360530000e+00 -4.4387500000e-01 -9.2907100000e-01  1.6585770000e+00  1.9083300000e-01 -4.3881800000e-01  1.4749830000e+00 -3.9443000000e-01 -1.8228910000e+00
-ENERGY -1.526556723733e+02
-FORCES  6.3516000000e-03 -2.8552000000e-03 -4.8499000000e-03 -1.7906000000e-03 -6.9260000000e-04  1.2304000000e-03 -3.2302000000e-03  3.0255000000e-03  4.0003000000e-03  3.4567000000e-03  2.7962000000e-03 -3.5857000000e-03 -3.7649000000e-03 -2.2827000000e-03 -8.8580000000e-04 -1.0226000000e-03  8.8000000000e-06  4.0906000000e-03
-
-JOB 35
-COORDS  1.5793300000e-01 -1.3949570000e+00 -6.9785400000e-01 -5.1438100000e-01 -2.0355120000e+00 -4.6565800000e-01 -2.7627300000e-01 -8.0339600000e-01 -1.3124700000e+00 -1.1398800000e-01  1.4234820000e+00  6.5988600000e-01 -2.4421000000e-02  1.8412440000e+00  1.5164400000e+00  1.1767900000e-01  5.0764200000e-01  8.1415300000e-01
-ENERGY -1.526598347123e+02
-FORCES -4.7414000000e-03 -1.0102000000e-03 -4.8887000000e-03  2.9694000000e-03  3.2517000000e-03 -3.8880000000e-04  2.0463000000e-03 -3.8151000000e-03  3.4620000000e-03  2.4190000000e-03 -3.8845000000e-03  2.7772000000e-03 -2.6640000000e-04 -2.3936000000e-03 -2.9219000000e-03 -2.4269000000e-03  7.8518000000e-03  1.9602000000e-03
-
-JOB 36
-COORDS  1.2631740000e+00 -1.0312420000e+00 -6.8843000000e-02  8.4229100000e-01 -1.8186100000e-01 -2.0165800000e-01  2.0155790000e+00 -8.4124000000e-01  4.9153000000e-01 -1.2361410000e+00  9.2448600000e-01  3.6902000000e-02 -2.0220960000e+00  1.1833910000e+00 -4.4421800000e-01 -1.1398370000e+00  1.5919360000e+00  7.1621600000e-01
-ENERGY -1.526579659848e+02
-FORCES -2.3145000000e-03  5.1179000000e-03  1.0219000000e-03  7.2351000000e-03 -4.3982000000e-03  7.7780000000e-04 -3.0661000000e-03 -2.2120000000e-04 -1.7357000000e-03 -5.5160000000e-03  3.0754000000e-03  5.3290000000e-04  3.1456000000e-03 -5.7530000000e-04  2.8417000000e-03  5.1580000000e-04 -2.9985000000e-03 -3.4385000000e-03
-
-JOB 37
-COORDS -5.9590400000e-01  1.4542130000e+00  2.4681700000e-01 -1.1613350000e+00  2.2068120000e+00  4.2035500000e-01  1.6390800000e-01  1.5892560000e+00  8.1310300000e-01  6.3095900000e-01 -1.5407940000e+00 -2.8526300000e-01 -2.9831200000e-01 -1.7333840000e+00 -1.6037800000e-01  6.6135200000e-01 -5.9724400000e-01 -4.4344500000e-01
-ENERGY -1.526580672708e+02
-FORCES -7.0420000000e-04  5.2312000000e-03  3.5175000000e-03  2.6334000000e-03 -3.1466000000e-03 -6.5800000000e-05 -3.0336000000e-03 -1.3567000000e-03 -3.8624000000e-03 -6.1537000000e-03  5.1019000000e-03 -5.8960000000e-04  3.6691000000e-03 -1.3201000000e-03 -4.2190000000e-04  3.5891000000e-03 -4.5097000000e-03  1.4222000000e-03
-
-JOB 38
-COORDS  1.1131550000e+00 -1.0304440000e+00 -7.4040400000e-01  6.1669800000e-01 -4.2479900000e-01 -1.8999000000e-01  6.4340300000e-01 -1.0368730000e+00 -1.5743840000e+00 -1.0501680000e+00  1.0141080000e+00  6.9751400000e-01 -1.6499930000e+00  3.5548300000e-01  1.0477340000e+00 -5.6528700000e-01  1.3273150000e+00  1.4610740000e+00
-ENERGY -1.526597662881e+02
-FORCES -5.9739000000e-03  5.3027000000e-03 -6.6800000000e-04  5.8322000000e-03 -6.0777000000e-03 -1.7647000000e-03  1.9018000000e-03 -8.7670000000e-04  2.5456000000e-03 -3.8493000000e-03  1.4964000000e-03  6.1362000000e-03  3.7873000000e-03  2.7988000000e-03 -2.0542000000e-03 -1.6980000000e-03 -2.6434000000e-03 -4.1950000000e-03
-
-JOB 39
-COORDS  2.1869400000e-01  6.0969800000e-01  1.6077210000e+00 -4.1589500000e-01  1.7945400000e-01  1.0346430000e+00 -3.1374400000e-01  1.0265390000e+00  2.2852060000e+00 -9.9950000000e-02 -6.4812300000e-01 -1.6179160000e+00 -8.3911800000e-01 -6.0754100000e-01 -1.0111090000e+00 -2.6120700000e-01  6.0978000000e-02 -2.2403350000e+00
-ENERGY -1.526513778645e+02
-FORCES -3.7592000000e-03 -5.4460000000e-04  2.0020000000e-04  8.9400000000e-05  1.3433000000e-03  1.4881000000e-03  2.3494000000e-03 -1.7511000000e-03 -3.3728000000e-03 -2.9728000000e-03  3.7124000000e-03 -1.6480000000e-03  3.8294000000e-03  7.9280000000e-04  8.0090000000e-04  4.6380000000e-04 -3.5528000000e-03  2.5316000000e-03
-
-JOB 40
-COORDS  6.3416400000e-01  1.0633540000e+00 -1.1359230000e+00  1.3804960000e+00  1.6624830000e+00 -1.1521770000e+00 -7.2582000000e-02  1.5487820000e+00 -1.5614830000e+00 -6.4116800000e-01 -1.0675200000e+00  1.1919130000e+00  1.1195800000e-01 -1.3246570000e+00  6.6001700000e-01 -1.2308800000e+00 -1.8204760000e+00  1.1528110000e+00
-ENERGY -1.526550986879e+02
-FORCES -1.3444000000e-03  5.2854000000e-03 -1.1116000000e-03 -2.9755000000e-03 -2.7244000000e-03  8.8000000000e-05  3.4380000000e-03 -1.6811000000e-03  9.3440000000e-04  2.1370000000e-03 -2.6713000000e-03 -3.8226000000e-03 -3.3166000000e-03 -1.4246000000e-03  3.9746000000e-03  2.0615000000e-03  3.2161000000e-03 -6.2800000000e-05
-
-JOB 41
-COORDS -1.4904380000e+00  6.0886100000e-01  4.9873900000e-01 -2.1598300000e+00  1.1793110000e+00  1.2093800000e-01 -1.2849570000e+00  1.0073800000e+00  1.3444300000e+00  1.5665400000e+00 -7.0253900000e-01 -5.5930500000e-01  1.7040250000e+00 -2.9212700000e-01  2.9444700000e-01  6.5699100000e-01 -5.0073100000e-01 -7.7891200000e-01
-ENERGY -1.526578611493e+02
-FORCES -3.7209000000e-03  4.5974000000e-03  2.7369000000e-03  2.9844000000e-03 -2.4570000000e-03  1.8534000000e-03 -4.0380000000e-04 -1.6889000000e-03 -3.8598000000e-03 -5.7986000000e-03  3.1320000000e-03  3.1862000000e-03  8.0370000000e-04 -1.4927000000e-03 -2.5141000000e-03  6.1353000000e-03 -2.0907000000e-03 -1.4026000000e-03
-
-JOB 42
-COORDS  1.2893400000e-01  3.4881400000e-01  1.7392970000e+00  6.6533000000e-01 -1.4297500000e-01  1.1174810000e+00 -5.5932400000e-01 -2.6350600000e-01  1.9992910000e+00 -1.6594600000e-01 -2.3264500000e-01 -1.7317740000e+00 -3.4094200000e-01 -1.1269440000e+00 -1.4387920000e+00  7.8714700000e-01 -1.8718400000e-01 -1.8077930000e+00
-ENERGY -1.526526032842e+02
-FORCES -1.8702000000e-03 -3.7037000000e-03 -3.6815000000e-03 -6.2880000000e-04  7.6460000000e-04  3.4414000000e-03  2.9977000000e-03  2.0489000000e-03 -7.4360000000e-04  2.3847000000e-03 -2.5634000000e-03 -6.9430000000e-04  1.2644000000e-03  4.0630000000e-03  6.9100000000e-05 -4.1479000000e-03 -6.0950000000e-04  1.6089000000e-03
-
-JOB 43
-COORDS -8.1395300000e-01  1.1461520000e+00  1.1449120000e+00 -6.3488000000e-02  1.7143340000e+00  1.3186970000e+00 -5.6400300000e-01  6.5015700000e-01  3.6533200000e-01  7.4404900000e-01 -1.0874220000e+00 -1.0902570000e+00  6.7061400000e-01 -1.5070850000e+00 -1.9474160000e+00  9.6325300000e-01 -1.8013410000e+00 -4.9150700000e-01
-ENERGY -1.526592062991e+02
-FORCES  4.6861000000e-03 -7.4110000000e-04 -4.2816000000e-03 -2.8195000000e-03 -1.8367000000e-03 -9.1300000000e-05 -3.0001000000e-03  4.2082000000e-03  5.8485000000e-03  1.3945000000e-03 -6.1807000000e-03 -2.3766000000e-03  6.8540000000e-04  1.3271000000e-03  3.8635000000e-03 -9.4640000000e-04  3.2232000000e-03 -2.9626000000e-03
-
-JOB 44
-COORDS  3.5914200000e-01 -2.6906800000e-01  1.6702650000e+00  4.9140100000e-01 -4.1288600000e-01  2.6073110000e+00 -5.8574700000e-01 -3.5694500000e-01  1.5449940000e+00 -3.6402200000e-01  2.3211500000e-01 -1.7380000000e+00  7.7647000000e-02  3.3869500000e-01 -8.9550300000e-01 -3.9578000000e-02  9.5692000000e-01 -2.2724390000e+00
-ENERGY -1.526578713127e+02
-FORCES -2.7814000000e-03 -2.0076000000e-03  5.5285000000e-03 -1.1204000000e-03  4.2130000000e-04 -3.6561000000e-03  5.0247000000e-03  1.2011000000e-03 -1.1180000000e-04  4.5684000000e-03  3.1102000000e-03  1.7849000000e-03 -4.4165000000e-03  3.7000000000e-05 -5.4269000000e-03 -1.2748000000e-03 -2.7620000000e-03  1.8814000000e-03
-
-JOB 45
-COORDS  6.6300000000e-01 -1.3756910000e+00 -7.8574800000e-01  1.3965570000e+00 -1.9456750000e+00 -1.0164940000e+00 -9.3838000000e-02 -1.7719010000e+00 -1.2175400000e+00 -6.5967900000e-01  1.4625600000e+00  8.6560400000e-01  1.3398800000e-01  1.1047930000e+00  4.6770100000e-01 -1.3754850000e+00  1.0862710000e+00  3.5349200000e-01
-ENERGY -1.526572613099e+02
-FORCES  5.5540000000e-04 -5.5651000000e-03 -2.8315000000e-03 -3.3644000000e-03  2.2421000000e-03  7.9310000000e-04  3.0557000000e-03  2.1039000000e-03  1.7926000000e-03  1.6981000000e-03 -5.1417000000e-03 -4.3800000000e-03 -3.4409000000e-03  4.4973000000e-03  2.6921000000e-03  1.4962000000e-03  1.8636000000e-03  1.9337000000e-03
-
-JOB 46
-COORDS  1.5230950000e+00  9.7052500000e-01 -3.5771500000e-01  7.6249400000e-01  1.3355980000e+00 -8.0986600000e-01  1.1784590000e+00  2.1720700000e-01  1.2183700000e-01 -1.4130020000e+00 -9.7684900000e-01  3.9576100000e-01 -1.6330510000e+00 -1.2081000000e+00 -5.0664300000e-01 -1.9944280000e+00 -2.4575500000e-01  6.0475000000e-01
-ENERGY -1.526572925977e+02
-FORCES -5.8234000000e-03 -3.0998000000e-03  1.1104000000e-03  2.8708000000e-03 -4.7510000000e-04  9.7270000000e-04  4.1319000000e-03  4.2700000000e-03 -2.4075000000e-03 -5.8578000000e-03  4.2250000000e-04 -2.1793000000e-03  1.4808000000e-03  1.7888000000e-03  4.0007000000e-03  3.1978000000e-03 -2.9063000000e-03 -1.4970000000e-03
-
-JOB 47
-COORDS -1.0981640000e+00 -4.8118700000e-01 -1.3444400000e+00 -1.2271440000e+00  4.5787900000e-01 -1.2112010000e+00 -1.7915000000e+00 -8.9408200000e-01 -8.2962500000e-01  1.2164510000e+00  4.5855700000e-01  1.3000900000e+00  6.0084800000e-01  9.8832700000e-01  1.8066560000e+00  6.7506600000e-01 -2.2246600000e-01  9.0091400000e-01
-ENERGY -1.526558540972e+02
-FORCES -4.6942000000e-03  2.8440000000e-03 -5.0500000000e-04  3.3020000000e-04 -4.7427000000e-03  3.7220000000e-04  4.1316000000e-03  2.0335000000e-03 -1.1415000000e-03 -4.3662000000e-03 -1.8396000000e-03 -7.9030000000e-04  1.9954000000e-03 -1.8963000000e-03 -2.4388000000e-03  2.6032000000e-03  3.6011000000e-03  4.5034000000e-03
-
-JOB 48
-COORDS -1.1623730000e+00  3.2279800000e-01  1.4319500000e+00 -1.3138910000e+00  5.2778000000e-02  5.2621100000e-01 -5.2543400000e-01 -3.0822200000e-01  1.7671420000e+00  1.0923560000e+00 -2.4327200000e-01 -1.3446160000e+00  1.4175190000e+00 -1.1288820000e+00 -1.5064630000e+00  1.4021490000e+00  2.6664900000e-01 -2.0931080000e+00
-ENERGY -1.526561886176e+02
-FORCES  4.1622000000e-03 -3.2874000000e-03 -4.4295000000e-03 -1.9636000000e-03  7.8670000000e-04  4.8270000000e-03 -3.0399000000e-03  1.8465000000e-03  2.4200000000e-05  3.8707000000e-03 -4.5690000000e-04 -4.5719000000e-03 -1.7963000000e-03  3.6967000000e-03  1.1539000000e-03 -1.2331000000e-03 -2.5855000000e-03  2.9962000000e-03
-
-JOB 49
-COORDS  1.6093200000e-01  1.0490210000e+00  1.5340440000e+00 -4.3216200000e-01  1.7964210000e+00  1.4574680000e+00  1.5354500000e-01  6.4681500000e-01  6.6547700000e-01 -7.3824000000e-02 -1.1080610000e+00 -1.4517220000e+00 -2.5428000000e-02 -2.5957400000e-01 -1.8921300000e+00 -1.0055780000e+00 -1.3272770000e+00 -1.4548520000e+00
-ENERGY -1.526559485771e+02
-FORCES -1.8211000000e-03 -4.1440000000e-04 -4.0621000000e-03  2.2047000000e-03 -3.0787000000e-03 -1.7490000000e-04 -4.1170000000e-04  5.2500000000e-03  4.5010000000e-03 -4.0177000000e-03 -4.6370000000e-04 -4.6305000000e-03 -3.3900000000e-04 -2.9591000000e-03  4.2614000000e-03  4.3849000000e-03  1.6660000000e-03  1.0510000000e-04
-
-JOB 50
-COORDS  1.0156990000e+00  1.5314820000e+00  1.2593900000e-01  1.8765900000e+00  1.9265770000e+00 -1.1895000000e-02  4.4951100000e-01  2.2662010000e+00  3.6226700000e-01 -1.0287210000e+00 -1.6347480000e+00 -7.7093000000e-02 -1.0254690000e+00 -7.0033600000e-01 -2.8468500000e-01 -1.1761870000e+00 -2.0669670000e+00 -9.1832600000e-01
-ENERGY -1.526555087294e+02
-FORCES  3.1030000000e-03  4.8665000000e-03  1.0768000000e-03 -3.7456000000e-03 -1.2113000000e-03  6.3040000000e-04  1.8229000000e-03 -3.6180000000e-03 -1.4723000000e-03  1.1132000000e-03  3.3145000000e-03 -4.0804000000e-03 -2.7366000000e-03 -4.8269000000e-03  6.0820000000e-04  4.4320000000e-04  1.4751000000e-03  3.2373000000e-03
-
-JOB 51
-COORDS  1.0601800000e+00  1.9152000000e-01  1.6580120000e+00  1.3895020000e+00 -7.0528500000e-01  1.5986760000e+00  5.9153900000e-01  3.3003300000e-01  8.3495600000e-01 -1.0741180000e+00 -8.9161000000e-02 -1.5675800000e+00 -1.3008050000e+00 -1.0091290000e+00 -1.4315510000e+00 -4.5976000000e-01 -9.9369000000e-02 -2.3015360000e+00
-ENERGY -1.526569022021e+02
-FORCES -1.7366000000e-03 -2.3905000000e-03 -4.4867000000e-03 -1.1744000000e-03  3.1858000000e-03  2.3790000000e-04  4.0988000000e-03 -8.5750000000e-04  5.4401000000e-03 -6.6020000000e-04 -3.9655000000e-03 -4.9432000000e-03  1.8288000000e-03  4.1571000000e-03 -1.5390000000e-04 -2.3563000000e-03 -1.2940000000e-04  3.9057000000e-03
-
-JOB 52
-COORDS  1.6407090000e+00  9.3259400000e-01  4.9974100000e-01  2.2369220000e+00  1.8686200000e-01  4.3157700000e-01  1.2266410000e+00  9.8830600000e-01 -3.6146600000e-01 -1.6991360000e+00 -8.4839200000e-01 -4.8268000000e-01 -1.1637210000e+00 -6.6627400000e-01  2.8958700000e-01 -1.4881160000e+00 -1.7531690000e+00 -7.1307000000e-01
-ENERGY -1.526562742617e+02
-FORCES  2.0144000000e-03 -1.3451000000e-03 -4.7659000000e-03 -3.0457000000e-03  2.7100000000e-03  5.3010000000e-04  2.1071000000e-03 -6.7390000000e-04  4.6273000000e-03  2.1685000000e-03 -3.0550000000e-03  3.4404000000e-03 -2.7732000000e-03 -1.4663000000e-03 -4.5702000000e-03 -4.7110000000e-04  3.8302000000e-03  7.3820000000e-04
-
-JOB 53
-COORDS  1.8116750000e+00 -3.5647500000e-01 -3.5998200000e-01  2.1686760000e+00  2.5449600000e-01  2.8460800000e-01  2.4605460000e+00 -1.0583670000e+00 -4.1044400000e-01 -1.9344940000e+00  3.6446100000e-01  3.5503600000e-01 -1.4506440000e+00 -3.9258900000e-01  2.4890000000e-02 -1.3297420000e+00  1.0992600000e+00  2.5218700000e-01
-ENERGY -1.526566601689e+02
-FORCES  5.5729000000e-03 -8.2400000000e-04  2.2962000000e-03 -1.9191000000e-03 -2.3678000000e-03 -2.8685000000e-03 -2.6607000000e-03  3.0556000000e-03  3.2870000000e-04  5.9388000000e-03 -7.0130000000e-04 -2.6251000000e-03 -3.9728000000e-03  2.6557000000e-03  1.7247000000e-03 -2.9591000000e-03 -1.8181000000e-03  1.1440000000e-03
-
-JOB 54
-COORDS  3.3140600000e-01  9.9155600000e-01 -1.6606110000e+00  9.8505400000e-01  6.8947100000e-01 -1.0299610000e+00  3.4456000000e-02  1.8329530000e+00 -1.3140510000e+00 -3.5658500000e-01 -9.9470500000e-01  1.6747410000e+00 -5.3508800000e-01 -4.8100500000e-01  8.8703500000e-01 -7.3107000000e-02 -1.8477480000e+00  1.3458170000e+00
-ENERGY -1.526558539843e+02
-FORCES  3.0817000000e-03  4.1189000000e-03  2.1901000000e-03 -4.4796000000e-03  3.7180000000e-04 -2.3539000000e-03  9.5880000000e-04 -4.2854000000e-03 -1.1806000000e-03 -1.0619000000e-03 -2.2132000000e-03 -4.9141000000e-03  2.1884000000e-03 -1.6730000000e-03  4.7296000000e-03 -6.8750000000e-04  3.6809000000e-03  1.5289000000e-03
-
-JOB 55
-COORDS  8.3699600000e-01  1.4176050000e+00  1.1116660000e+00  1.3792400000e-01  8.0146400000e-01  8.9280900000e-01  4.7248100000e-01  1.9539200000e+00  1.8157450000e+00 -7.5737400000e-01 -1.3697330000e+00 -1.1038260000e+00 -1.4759460000e+00 -1.9555350000e+00 -8.6566200000e-01 -5.0465600000e-01 -1.6457720000e+00 -1.9848300000e+00
-ENERGY -1.526564121181e+02
-FORCES -4.5839000000e-03 -1.4811000000e-03  6.7830000000e-04  3.1310000000e-03  4.3878000000e-03  3.1799000000e-03  1.3399000000e-03 -2.1037000000e-03 -2.6517000000e-03 -1.2358000000e-03 -4.1691000000e-03 -4.0930000000e-03  2.9527000000e-03  2.7207000000e-03 -7.4880000000e-04 -1.6039000000e-03  6.4560000000e-04  3.6354000000e-03
-
-JOB 56
-COORDS  1.0783710000e+00 -1.0314400000e-01 -1.7270810000e+00  7.0407600000e-01 -7.7706700000e-01 -2.2944970000e+00  3.8995100000e-01  5.5779500000e-01 -1.6531200000e+00 -9.6904600000e-01  1.4165400000e-01  1.7813330000e+00 -1.8927960000e+00  1.9185000000e-01  2.0270950000e+00 -9.3973700000e-01 -5.2221200000e-01  1.0923810000e+00
-ENERGY -1.526545298410e+02
-FORCES -3.3209000000e-03  1.1896000000e-03 -2.6921000000e-03  1.1728000000e-03  2.6207000000e-03  2.9935000000e-03  2.5692000000e-03 -3.7309000000e-03 -6.1420000000e-04 -2.8438000000e-03 -3.2262000000e-03 -1.2121000000e-03  3.8486000000e-03 -1.0720000000e-04 -1.3312000000e-03 -1.4259000000e-03  3.2541000000e-03  2.8560000000e-03
-
-JOB 57
-COORDS  2.0011950000e+00 -2.1178200000e-01 -1.6275500000e-01  2.4028440000e+00 -1.7257200000e-01  7.0521500000e-01  2.6271260000e+00 -7.0300200000e-01 -6.9486900000e-01 -2.0777820000e+00  1.7624200000e-01  1.5801600000e-01 -2.1966560000e+00  5.6524300000e-01 -7.0845900000e-01 -1.7226220000e+00  8.8604100000e-01  6.9306700000e-01
-ENERGY -1.526538379943e+02
-FORCES  3.9176000000e-03 -2.7290000000e-03  1.4486000000e-03 -1.6420000000e-03  2.3800000000e-04 -3.5383000000e-03 -2.4766000000e-03  2.1841000000e-03  2.1140000000e-03  2.8267000000e-03  4.2854000000e-03 -1.8738000000e-03 -3.5480000000e-04 -1.4435000000e-03  3.3944000000e-03 -2.2709000000e-03 -2.5351000000e-03 -1.5448000000e-03
-
-JOB 58
-COORDS  1.6715600000e+00  1.2453430000e+00  5.2676700000e-01  7.9308200000e-01  1.4319520000e+00  1.9557800000e-01  2.2344960000e+00  1.2930550000e+00 -2.4592900000e-01 -1.6202710000e+00 -1.2117660000e+00 -5.0101600000e-01 -2.1814330000e+00 -1.0224010000e+00  2.5096100000e-01 -1.6342320000e+00 -2.1658710000e+00 -5.7665200000e-01
-ENERGY -1.526551309724e+02
-FORCES -2.1423000000e-03 -1.2790000000e-04 -5.1452000000e-03  4.0125000000e-03  6.0010000000e-04  1.9882000000e-03 -1.8078000000e-03  8.0400000000e-05  3.1521000000e-03 -2.0346000000e-03 -4.0118000000e-03  3.0971000000e-03  2.2567000000e-03 -4.1110000000e-04 -3.2824000000e-03 -2.8450000000e-04  3.8702000000e-03  1.9030000000e-04
-
-JOB 59
-COORDS -4.6580800000e-01  1.4226920000e+00 -1.4843800000e+00 -7.0756000000e-01  2.2859460000e+00 -1.8199090000e+00 -7.5270000000e-02  9.7438700000e-01 -2.2345370000e+00  4.8215100000e-01 -1.4990320000e+00  1.5485530000e+00 -1.1446000000e-02 -1.1468470000e+00  8.0790500000e-01  5.0048900000e-01 -7.8515000000e-01  2.1859450000e+00
-ENERGY -1.526561641574e+02
-FORCES  5.9150000000e-04  2.6069000000e-03 -5.0413000000e-03  1.0940000000e-03 -3.5880000000e-03  1.1969000000e-03 -1.8230000000e-03  1.6918000000e-03  3.3570000000e-03 -2.2565000000e-03  5.3712000000e-03 -9.8070000000e-04  2.2866000000e-03 -2.9285000000e-03  3.3568000000e-03  1.0730000000e-04 -3.1534000000e-03 -1.8887000000e-03
-
-JOB 60
-COORDS -1.1015890000e+00  8.5192300000e-01  1.6199050000e+00 -1.2133150000e+00  1.5676040000e+00  2.2456440000e+00 -1.7162760000e+00  1.7907700000e-01  1.9126000000e+00  1.0874760000e+00 -8.7128800000e-01 -1.6430360000e+00  1.7048540000e+00 -1.8218700000e-01 -1.3976470000e+00  1.4679600000e+00 -1.2661380000e+00 -2.4276100000e+00
-ENERGY -1.526537434668e+02
-FORCES -3.3035000000e-03 -5.9080000000e-04  3.3822000000e-03  6.7900000000e-04 -2.8346000000e-03 -2.6764000000e-03  2.3448000000e-03  3.0927000000e-03 -7.5070000000e-04  3.8709000000e-03  1.9755000000e-03 -1.4933000000e-03 -1.9106000000e-03 -3.1475000000e-03 -1.6713000000e-03 -1.6805000000e-03  1.5046000000e-03  3.2096000000e-03
-
-JOB 61
-COORDS  1.7680100000e+00  5.9824100000e-01 -1.1319580000e+00  2.5228160000e+00  2.9713300000e-01 -1.6377590000e+00  1.8278070000e+00  1.2093000000e-01 -3.0441300000e-01 -1.8490130000e+00 -5.1507000000e-01  1.1474780000e+00 -2.1372620000e+00 -1.2161850000e+00  5.6302800000e-01 -8.9374600000e-01 -5.3131900000e-01  1.0888810000e+00
-ENERGY -1.526533420312e+02
-FORCES  4.3167000000e-03 -2.5762000000e-03  8.1700000000e-04 -3.3019000000e-03  1.2650000000e-03  2.1651000000e-03 -1.5433000000e-03  1.4421000000e-03 -3.0993000000e-03  2.5418000000e-03 -2.3961000000e-03 -3.5968000000e-03  1.1044000000e-03  2.6221000000e-03  2.7645000000e-03 -3.1177000000e-03 -3.5700000000e-04  9.4950000000e-04
-
-JOB 62
-COORDS -1.4661480000e+00 -1.2650080000e+00  1.0184980000e+00 -1.6184380000e+00 -2.0281950000e+00  4.6119600000e-01 -2.2677960000e+00 -7.4767500000e-01  9.4129800000e-01  1.5454520000e+00  1.3090080000e+00 -9.3878700000e-01  8.8138900000e-01  6.2888500000e-01 -8.2616400000e-01  1.6158070000e+00  1.4210880000e+00 -1.8867960000e+00
-ENERGY -1.526552317732e+02
-FORCES -4.9493000000e-03 -1.6926000000e-03 -1.1312000000e-03  9.6550000000e-04  3.6382000000e-03  1.9258000000e-03  3.6360000000e-03 -2.2347000000e-03 -9.8400000000e-05 -2.6652000000e-03 -2.8364000000e-03 -2.4516000000e-03  3.3950000000e-03  3.5955000000e-03 -1.9509000000e-03 -3.8200000000e-04 -4.7000000000e-04  3.7063000000e-03
-
-JOB 63
-COORDS  8.4977000000e-01 -1.5549540000e+00 -1.3524200000e+00  1.7994700000e-01 -1.2157210000e+00 -1.9461290000e+00  3.7252400000e-01 -2.1334820000e+00 -7.5763200000e-01 -7.4143900000e-01  1.5516640000e+00  1.3100560000e+00 -7.0121900000e-01  1.3766130000e+00  2.2502530000e+00 -1.5594220000e+00  2.0342180000e+00  1.1905660000e+00
-ENERGY -1.526536916320e+02
-FORCES -5.1082000000e-03  3.3880000000e-04  8.7250000000e-04  2.7203000000e-03 -1.9156000000e-03  1.7275000000e-03  2.0625000000e-03  1.6117000000e-03 -2.5884000000e-03 -2.6396000000e-03  1.5665000000e-03  3.6589000000e-03 -3.6560000000e-04  6.2100000000e-04 -3.9175000000e-03  3.3306000000e-03 -2.2224000000e-03  2.4700000000e-04
-
-JOB 64
-COORDS -1.3722900000e-01  1.2114510000e+00 -1.9698290000e+00  6.1216600000e-01  7.4021100000e-01 -1.6057240000e+00 -7.9923800000e-01  1.1797720000e+00 -1.2791980000e+00  6.7904000000e-02 -1.1838470000e+00  1.9027110000e+00  6.6420200000e-01 -4.3523300000e-01  1.9180830000e+00  6.2066000000e-01 -1.9353910000e+00  2.1168920000e+00
-ENERGY -1.526547081541e+02
-FORCES -3.1470000000e-04 -2.9283000000e-03  4.3726000000e-03 -2.4212000000e-03  2.4613000000e-03 -1.4339000000e-03  2.9683000000e-03  9.1320000000e-04 -3.0258000000e-03  4.7054000000e-03 -8.5720000000e-04  2.1665000000e-03 -2.7107000000e-03 -2.9239000000e-03 -1.1051000000e-03 -2.2271000000e-03  3.3350000000e-03 -9.7420000000e-04
-
-JOB 65
-COORDS  6.7824700000e-01  2.1261850000e+00 -3.6209900000e-01  1.5490790000e+00  2.1318980000e+00 -7.5940300000e-01  8.2066000000e-02  1.9631430000e+00 -1.0930000000e+00 -7.0272300000e-01 -2.0783420000e+00  3.7940300000e-01 -5.3879200000e-01 -1.7820990000e+00  1.2747230000e+00 -7.7549900000e-01 -3.0300780000e+00  4.5106400000e-01
-ENERGY -1.526547388110e+02
-FORCES  8.1020000000e-04 -1.5031000000e-03 -4.9125000000e-03 -3.3576000000e-03  2.4990000000e-04  1.6745000000e-03  2.5617000000e-03  1.4574000000e-03  2.8493000000e-03  5.5310000000e-04 -2.1124000000e-03  4.3618000000e-03 -9.0810000000e-04 -1.9510000000e-03 -3.5876000000e-03  3.4070000000e-04  3.8592000000e-03 -3.8540000000e-04
-
-JOB 66
-COORDS -1.8563000000e+00  1.3947200000e+00  5.8996900000e-01 -1.6882760000e+00  1.9018550000e+00 -2.0426900000e-01 -2.7300260000e+00  1.0263240000e+00  4.5913000000e-01  1.8654610000e+00 -1.3679530000e+00 -5.9803400000e-01  2.4954040000e+00 -2.0882970000e+00 -6.2057800000e-01  1.7204900000e+00 -1.2050020000e+00  3.3398700000e-01
-ENERGY -1.526547570353e+02
-FORCES -2.7186000000e-03  4.0080000000e-04 -4.3436000000e-03 -9.7300000000e-04 -1.7827000000e-03  3.4668000000e-03  3.4360000000e-03  1.5739000000e-03  6.9470000000e-04  1.5484000000e-03 -1.9348000000e-03  4.1154000000e-03 -2.5529000000e-03  2.8660000000e-03  3.5300000000e-05  1.2601000000e-03 -1.1233000000e-03 -3.9685000000e-03
-
-JOB 67
-COORDS -1.0133400000e-01 -1.9883210000e+00 -1.3775890000e+00 -3.2513500000e-01 -2.0023050000e+00 -2.3081530000e+00 -9.0041800000e-01 -1.6902320000e+00 -9.4303200000e-01  1.5269400000e-01  1.9229310000e+00  1.4334330000e+00  8.5033500000e-01  2.1923860000e+00  8.3600200000e-01 -4.6560700000e-01  2.6535960000e+00  1.4254720000e+00
-ENERGY -1.526543545668e+02
-FORCES -4.3064000000e-03  1.3468000000e-03 -1.3276000000e-03  9.9380000000e-04  1.6080000000e-04  3.6907000000e-03  3.0557000000e-03 -1.6632000000e-03 -2.3964000000e-03  9.9080000000e-04  3.9994000000e-03 -2.4822000000e-03 -3.0744000000e-03 -7.0320000000e-04  2.5847000000e-03  2.3405000000e-03 -3.1407000000e-03 -6.9200000000e-05
-
-JOB 68
-COORDS  5.4851100000e-01  1.7585960000e+00  1.5625370000e+00 -2.6698400000e-01  2.1400980000e+00  1.8875830000e+00  8.2318900000e-01  1.1552870000e+00  2.2530450000e+00 -4.5114900000e-01 -1.7727560000e+00 -1.6274570000e+00 -7.0961600000e-01 -8.5783400000e-01 -1.5163540000e+00 -1.2778170000e+00 -2.2548620000e+00 -1.6480850000e+00
-ENERGY -1.526546068325e+02
-FORCES -1.5696000000e-03 -9.7510000000e-04  4.6331000000e-03  3.1552000000e-03 -1.7131000000e-03 -1.6442000000e-03 -1.3249000000e-03  2.7467000000e-03 -2.7315000000e-03 -4.0177000000e-03  2.3849000000e-03  4.6400000000e-04  4.6980000000e-04 -4.3310000000e-03 -9.1000000000e-04  3.2872000000e-03  1.8877000000e-03  1.8870000000e-04
-
-JOB 69
-COORDS  1.4448080000e+00 -5.1198500000e-01 -1.9727060000e+00  6.8672300000e-01 -5.8351300000e-01 -2.5527260000e+00  1.0703200000e+00 -4.6414400000e-01 -1.0931030000e+00 -1.4093430000e+00  4.6270400000e-01  1.9124430000e+00 -1.8262430000e+00  1.3137440000e+00  2.0471970000e+00 -6.2728900000e-01  4.8859100000e-01  2.4637630000e+00
-ENERGY -1.526553502753e+02
-FORCES -5.2428000000e-03 -1.3880000000e-04  1.5390000000e-03  3.2282000000e-03  2.8540000000e-04  1.9510000000e-03  2.4396000000e-03 -2.4720000000e-04 -3.7781000000e-03  8.4520000000e-04  3.9070000000e-03  3.6375000000e-03  1.7911000000e-03 -3.5902000000e-03 -5.6850000000e-04 -3.0613000000e-03 -2.1620000000e-04 -2.7809000000e-03
-
-JOB 70
-COORDS  1.7500090000e+00  1.2027850000e+00  1.1481100000e+00  2.5959110000e+00  1.0367780000e+00  7.3202800000e-01  1.9353330000e+00  1.8670050000e+00  1.8119620000e+00 -1.8004770000e+00 -1.2868800000e+00 -1.1737410000e+00 -2.0172660000e+00 -5.5982100000e-01 -1.7573670000e+00 -1.5663750000e+00 -8.6813500000e-01 -3.4544100000e-01
-ENERGY -1.526552487654e+02
-FORCES  4.7434000000e-03  1.9282000000e-03  1.0528000000e-03 -3.4694000000e-03  8.9870000000e-04  1.8175000000e-03 -8.2170000000e-04 -2.7062000000e-03 -2.7709000000e-03  7.6060000000e-04  5.0332000000e-03  1.4609000000e-03  6.0670000000e-04 -3.0056000000e-03  2.0510000000e-03 -1.8196000000e-03 -2.1483000000e-03 -3.6114000000e-03
-
-JOB 71
-COORDS -7.4044300000e-01 -9.4038700000e-01  2.1553510000e+00 -1.0635000000e-02 -4.9097500000e-01  2.5815450000e+00 -9.4067600000e-01 -1.6756700000e+00  2.7345730000e+00  7.3747000000e-01  9.4551800000e-01 -2.2630330000e+00  1.1621080000e+00  1.3189670000e+00 -1.4907310000e+00 -1.7960900000e-01  8.4530600000e-01 -2.0077760000e+00
-ENERGY -1.526546705194e+02
-FORCES  2.0759000000e-03 -1.7754000000e-03  4.3988000000e-03 -2.9740000000e-03 -1.5431000000e-03 -2.0172000000e-03  8.4550000000e-04  3.1181000000e-03 -2.2781000000e-03 -2.4430000000e-03  5.5930000000e-04  4.6497000000e-03 -1.3216000000e-03 -1.2000000000e-03 -3.1647000000e-03  3.8171000000e-03  8.4110000000e-04 -1.5886000000e-03
-
-JOB 72
-COORDS -8.0213300000e-01  2.1610600000e-01  2.3869510000e+00 -1.8312800000e-01 -5.1082000000e-01  2.4550960000e+00 -3.8019700000e-01  9.3545500000e-01  2.8567790000e+00  6.8301900000e-01 -1.8017500000e-01 -2.4009700000e+00  8.1012200000e-01 -9.9366200000e-01 -2.8891470000e+00  1.5657100000e+00  8.5147000000e-02 -2.1427190000e+00
-ENERGY -1.526533695241e+02
-FORCES  4.1846000000e-03 -5.3600000000e-05  1.6260000000e-03 -2.4169000000e-03  2.9305000000e-03  3.9600000000e-05 -1.6631000000e-03 -2.9339000000e-03 -1.8422000000e-03  3.8596000000e-03 -2.1013000000e-03 -8.8140000000e-04 -4.7430000000e-04  3.3140000000e-03  2.0621000000e-03 -3.4900000000e-03 -1.1557000000e-03 -1.0041000000e-03
-
-JOB 73
-COORDS  1.7524010000e+00  1.1393720000e+00 -1.6216030000e+00  1.2531320000e+00  1.9559470000e+00 -1.6345480000e+00  1.0928770000e+00  4.5319200000e-01 -1.7236690000e+00 -1.6712930000e+00 -1.1960180000e+00  1.5748260000e+00 -1.4160760000e+00 -1.2658450000e+00  2.4947290000e+00 -2.1348010000e+00 -3.6051700000e-01  1.5171240000e+00
-ENERGY -1.526544642936e+02
-FORCES -4.8307000000e-03 -5.2000000000e-06 -2.9740000000e-04  1.9836000000e-03 -3.1413000000e-03  1.1600000000e-04  2.8429000000e-03  3.2526000000e-03  9.1000000000e-06 -7.3630000000e-04  2.9060000000e-03  4.0828000000e-03 -1.2441000000e-03  3.0860000000e-04 -3.7845000000e-03  1.9845000000e-03 -3.3207000000e-03 -1.2590000000e-04
-
-JOB 74
-COORDS -6.6352500000e-01 -6.5388500000e-01 -2.6212630000e+00 -8.1584000000e-01  2.9093000000e-01 -2.6401680000e+00  1.7751400000e-01 -7.7027700000e-01 -3.0632340000e+00  5.6423800000e-01  5.8745900000e-01  2.6873030000e+00  9.7097300000e-01  1.1750400000e-01  1.9593320000e+00  1.1028560000e+00  1.3709570000e+00  2.7979960000e+00
-ENERGY -1.526540879742e+02
-FORCES  2.3177000000e-03  3.3989000000e-03 -2.2156000000e-03  8.8450000000e-04 -3.9263000000e-03  9.6600000000e-05 -3.3144000000e-03  5.1080000000e-04  2.0849000000e-03  3.6723000000e-03  9.0900000000e-04 -2.6193000000e-03 -1.3587000000e-03  2.2213000000e-03  3.1872000000e-03 -2.2014000000e-03 -3.1136000000e-03 -5.3380000000e-04
-
-JOB 75
-COORDS  6.8360600000e-01  8.0105900000e-01  2.6647550000e+00  2.5233400000e-01  1.6516830000e+00  2.5830610000e+00 -2.9952000000e-02  1.8525000000e-01  2.8316280000e+00 -6.3727200000e-01 -8.7477100000e-01 -2.6749070000e+00 -3.0176500000e-01 -2.7188500000e-01 -3.3383800000e+00 -7.7965900000e-01 -3.2702000000e-01 -1.9029450000e+00
-ENERGY -1.526541118509e+02
-FORCES -4.4845000000e-03  8.2490000000e-04  1.0173000000e-03  1.7249000000e-03 -3.5621000000e-03 -2.8900000000e-05  2.8787000000e-03  2.6985000000e-03 -9.6260000000e-04  1.2545000000e-03  4.6890000000e-03  5.5870000000e-04 -1.5029000000e-03 -2.4325000000e-03  2.6280000000e-03  1.2940000000e-04 -2.2177000000e-03 -3.2126000000e-03
-
-JOB 76
-COORDS -3.1120600000e-01  2.2088210000e+00 -1.9545100000e+00  3.9649000000e-02  3.0709280000e+00 -2.1779020000e+00  3.8790100000e-01  1.7873700000e+00 -1.4546480000e+00  1.8932000000e-01 -2.2568420000e+00  1.9205290000e+00  1.0354710000e+00 -2.6331580000e+00  1.6783600000e+00  4.0835300000e-01 -1.5254150000e+00  2.4978250000e+00
-ENERGY -1.526537909078e+02
-FORCES  4.1465000000e-03  1.5599000000e-03  1.1274000000e-03 -1.4148000000e-03 -3.5278000000e-03  9.5430000000e-04 -2.6622000000e-03  1.9579000000e-03 -2.0308000000e-03  4.1104000000e-03  1.1990000000e-03  1.5588000000e-03 -3.4282000000e-03  1.7173000000e-03  9.1770000000e-04 -7.5160000000e-04 -2.9064000000e-03 -2.5273000000e-03
-
-JOB 77
-COORDS -1.0404700000e-01 -2.9537340000e+00 -4.7034900000e-01  2.2927800000e-01 -3.6319800000e+00  1.1710900000e-01 -1.8944300000e-01 -3.3908630000e+00 -1.3176140000e+00  3.9088000000e-02  3.0446810000e+00  5.3032300000e-01  5.0003600000e-01  3.5340840000e+00 -1.5103100000e-01  3.8122000000e-01  2.1535750000e+00  4.5886300000e-01
-ENERGY -1.526545475003e+02
-FORCES  7.4390000000e-04 -4.8139000000e-03 -1.0232000000e-03 -1.2812000000e-03  2.8293000000e-03 -2.4479000000e-03  4.4920000000e-04  1.8306000000e-03  3.4585000000e-03  3.1067000000e-03 -2.1136000000e-03 -3.1148000000e-03 -1.8291000000e-03 -1.8374000000e-03  2.7427000000e-03 -1.1894000000e-03  4.1049000000e-03  3.8470000000e-04
-
-JOB 78
-COORDS -1.8095500000e+00  2.5036220000e+00  8.5158000000e-02 -1.3718280000e+00  1.8273750000e+00 -4.3187300000e-01 -2.1670220000e+00  3.1087540000e+00 -5.6465800000e-01  1.7963990000e+00 -2.4317540000e+00 -4.2180000000e-03  2.3766700000e+00 -2.8103190000e+00 -6.6467700000e-01  1.3309460000e+00 -3.1823270000e+00  3.6487000000e-01
-ENERGY -1.526543715579e+02
-FORCES  6.9620000000e-04 -5.6450000000e-04 -4.6623000000e-03 -2.1605000000e-03  3.0522000000e-03  1.9549000000e-03  1.3821000000e-03 -2.4042000000e-03  2.6183000000e-03  6.3420000000e-04 -4.7706000000e-03 -8.8750000000e-04 -2.4480000000e-03  1.6087000000e-03  2.6219000000e-03  1.8960000000e-03  3.0784000000e-03 -1.6454000000e-03
-
-JOB 79
-COORDS  1.2942260000e+00  2.1609570000e+00 -1.9224940000e+00  6.9390200000e-01  2.4621370000e+00 -1.2404870000e+00  1.7266670000e+00  2.9574570000e+00 -2.2304120000e+00 -1.3183430000e+00 -2.2805040000e+00  1.9213240000e+00 -6.7570700000e-01 -1.7584520000e+00  2.4016490000e+00 -1.3445420000e+00 -1.8861590000e+00  1.0495230000e+00
-ENERGY -1.526542085182e+02
-FORCES -5.0780000000e-04  4.7769000000e-03  1.2108000000e-03  2.3881000000e-03 -1.5511000000e-03 -2.6055000000e-03 -1.8091000000e-03 -3.2738000000e-03  1.3243000000e-03  2.7379000000e-03  3.5422000000e-03 -1.8164000000e-03 -2.7321000000e-03 -2.0087000000e-03 -1.8486000000e-03 -7.7100000000e-05 -1.4855000000e-03  3.7354000000e-03
-
-JOB 80
-COORDS -3.0657610000e+00 -1.0545300000e+00  2.7849600000e-01 -3.4338590000e+00 -1.7597450000e+00 -2.5386500000e-01 -3.4320360000e+00 -1.1965340000e+00  1.1513690000e+00  3.1175350000e+00  1.1040520000e+00 -3.5763200000e-01  3.2929210000e+00  4.3534700000e-01  3.0441600000e-01  2.7166610000e+00  1.8242540000e+00  1.2903200000e-01
-ENERGY -1.526540431323e+02
-FORCES -3.0293000000e-03 -3.5096000000e-03  1.1619000000e-03  1.4550000000e-03  2.8691000000e-03  2.2613000000e-03  1.5816000000e-03  6.2560000000e-04 -3.4970000000e-03 -1.4150000000e-03  9.6800000000e-05  4.6496000000e-03 -4.7820000000e-04  2.7270000000e-03 -2.6509000000e-03  1.8859000000e-03 -2.8088000000e-03 -1.9249000000e-03
-
-JOB 81
-COORDS -9.4443700000e-01 -1.9491290000e+00  3.0859270000e+00 -2.0462800000e-01 -1.3481400000e+00  2.9980230000e+00 -1.5292290000e+00 -1.5201210000e+00  3.7105880000e+00  9.5629600000e-01  1.9293950000e+00 -3.0571240000e+00  1.4749720000e+00  1.4107020000e+00 -3.6720750000e+00  5.6278000000e-02  1.8456690000e+00 -3.3720660000e+00
-ENERGY -1.526542804449e+02
-FORCES  7.1980000000e-04  4.3189000000e-03  2.0989000000e-03 -3.0489000000e-03 -2.5439000000e-03  4.6870000000e-04  2.3322000000e-03 -1.7849000000e-03 -2.5164000000e-03 -1.6011000000e-03 -2.5529000000e-03 -3.8421000000e-03 -2.0862000000e-03  2.1538000000e-03  2.5078000000e-03  3.6841000000e-03  4.0900000000e-04  1.2830000000e-03
-
-JOB 82
-COORDS -9.6742900000e-01 -1.0904410000e+00 -3.4616510000e+00 -1.1867620000e+00 -2.6321200000e-01 -3.8903900000e+00 -7.1607800000e-01 -1.6729660000e+00 -4.1783930000e+00  9.9786900000e-01  1.1011300000e+00  3.4819850000e+00  5.2510400000e-01  2.6923800000e-01  3.4558820000e+00  8.5764500000e-01  1.4290850000e+00  4.3702490000e+00
-ENERGY -1.526540804224e+02
-FORCES  2.4660000000e-04  1.1367000000e-03 -4.6375000000e-03  8.2690000000e-04 -3.4336000000e-03  1.6916000000e-03 -1.0579000000e-03  2.3320000000e-03  2.9240000000e-03 -2.5763000000e-03 -2.1872000000e-03  3.3186000000e-03  1.9684000000e-03  3.4442000000e-03  2.9630000000e-04  5.9240000000e-04 -1.2922000000e-03 -3.5931000000e-03
-
-JOB 83
-COORDS -3.6741120000e+00 -7.8694500000e-01 -2.6148200000e-01 -4.3502690000e+00 -4.9445200000e-01 -8.7262200000e-01 -4.1580560000e+00 -1.2135330000e+00  4.4566200000e-01  3.7030930000e+00  8.2226100000e-01  3.0062500000e-01  3.6333760000e+00 -1.0385600000e-01  6.8940000000e-02  4.3826060000e+00  1.1644620000e+00 -2.8023100000e-01
-ENERGY -1.526539619227e+02
-FORCES -4.6976000000e-03 -4.0960000000e-04  4.8010000000e-04  2.7506000000e-03 -1.2388000000e-03  2.4599000000e-03  1.9609000000e-03  1.6839000000e-03 -2.9207000000e-03  2.2123000000e-03 -2.4494000000e-03 -3.3827000000e-03  4.8230000000e-04  3.7760000000e-03  9.7850000000e-04 -2.7085000000e-03 -1.3621000000e-03  2.3848000000e-03
-
-JOB 84
-COORDS  1.1312880000e+00 -3.5320050000e+00 -1.1499310000e+00  1.6719510000e+00 -2.8078210000e+00 -8.3454000000e-01  9.6145600000e-01 -3.3224410000e+00 -2.0683380000e+00 -1.2164000000e+00  3.4995630000e+00  1.2013000000e+00 -9.3521700000e-01  2.9632280000e+00  4.6000800000e-01 -4.0666400000e-01  3.7089840000e+00  1.6668120000e+00
-ENERGY -1.526538490881e+02
-FORCES  1.5208000000e-03  3.6267000000e-03 -2.4944000000e-03 -2.2526000000e-03 -2.8284000000e-03 -1.2848000000e-03  7.0620000000e-04 -7.6300000000e-04  3.8017000000e-03  4.3575000000e-03 -1.3232000000e-03 -1.0329000000e-03 -1.0556000000e-03  2.1745000000e-03  2.9747000000e-03 -3.2763000000e-03 -8.8660000000e-04 -1.9643000000e-03
-
-JOB 85
-COORDS  2.7402400000e-01  3.5788080000e+00  1.4767900000e+00 -4.8427100000e-01  3.1268520000e+00  1.1067140000e+00  1.1394900000e-01  3.5829100000e+00  2.4205010000e+00 -2.8230400000e-01 -3.5064500000e+00 -1.5071030000e+00  1.2355000000e-02 -4.0946040000e+00 -2.2024330000e+00  3.0366200000e-01 -3.6903210000e+00 -7.7289000000e-01
-ENERGY -1.526542168766e+02
-FORCES -3.8196000000e-03 -1.9170000000e-03  2.2068000000e-03  3.1103000000e-03  1.9495000000e-03  1.6096000000e-03  6.9490000000e-04 -3.6000000000e-06 -3.7980000000e-03  3.7026000000e-03 -3.1382000000e-03  8.1200000000e-05 -1.2276000000e-03  2.3726000000e-03  2.8512000000e-03 -2.4605000000e-03  7.3670000000e-04 -2.9508000000e-03
-
-JOB 86
-COORDS  2.0011160000e+00 -1.1574720000e+00  3.3223180000e+00  1.3993520000e+00 -4.4030500000e-01  3.5217760000e+00  1.4997890000e+00 -1.7396470000e+00  2.7513740000e+00 -1.9918990000e+00  1.1062880000e+00 -3.2995900000e+00 -1.3489850000e+00  1.1628000000e+00 -4.0064840000e+00 -1.7020240000e+00  1.7558450000e+00 -2.6590590000e+00
-ENERGY -1.526541679669e+02
-FORCES -4.5641000000e-03  4.2890000000e-04 -1.4710000000e-03  2.4916000000e-03 -2.8492000000e-03 -8.4850000000e-04  2.0972000000e-03  2.4304000000e-03  2.3353000000e-03  3.7995000000e-03  2.9626000000e-03 -4.4950000000e-04 -2.6341000000e-03 -2.4650000000e-04  2.9318000000e-03 -1.1901000000e-03 -2.7262000000e-03 -2.4980000000e-03
-
-JOB 87
-COORDS  3.3868510000e+00 -1.3053600000e+00  1.7009300000e+00  4.2256680000e+00 -1.6014460000e+00  1.3474460000e+00  3.2676870000e+00 -1.8200520000e+00  2.4991320000e+00 -3.4328640000e+00  1.3079980000e+00 -1.6664370000e+00 -2.8034570000e+00  2.0169370000e+00 -1.7986650000e+00 -3.9384190000e+00  1.2812910000e+00 -2.4787990000e+00
-ENERGY -1.526539976228e+02
-FORCES  2.7983000000e-03 -3.3700000000e-03  1.8337000000e-03 -3.3935000000e-03  1.2406000000e-03  1.4218000000e-03  5.6590000000e-04  2.1097000000e-03 -3.2453000000e-03  7.1840000000e-04  2.7449000000e-03 -3.7842000000e-03 -2.6981000000e-03 -2.8270000000e-03  4.7300000000e-04  2.0090000000e-03  1.0180000000e-04  3.3011000000e-03
-
-JOB 88
-COORDS -1.4515400000e-01  4.1795590000e+00  9.7829900000e-01 -2.3705400000e-01  3.9776460000e+00  1.9094370000e+00 -7.2476100000e-01  3.5569530000e+00  5.3938100000e-01  1.4006800000e-01 -4.1690340000e+00 -9.9393600000e-01  2.8961700000e-01 -3.7818170000e+00 -1.8564500000e+00  8.3983600000e-01 -3.8129690000e+00 -4.4642000000e-01
-ENERGY -1.526541501177e+02
-FORCES -2.8534000000e-03 -3.2817000000e-03  2.0602000000e-03  4.2490000000e-04  7.9750000000e-04 -3.8186000000e-03  2.4487000000e-03  2.5052000000e-03  1.7546000000e-03  3.5699000000e-03  2.9147000000e-03 -1.3569000000e-03 -6.6300000000e-04 -1.5357000000e-03  3.5571000000e-03 -2.9271000000e-03 -1.4000000000e-03 -2.1965000000e-03
-
-JOB 89
-COORDS -1.9150200000e-01  1.3454630000e+00  4.1074680000e+00 -4.0182000000e-02  1.4911600000e+00  5.0413340000e+00  6.3921400000e-01  9.9988300000e-01  3.7807930000e+00  1.0026400000e-01 -1.3569230000e+00 -4.1103090000e+00  5.5537500000e-01 -5.3824800000e-01 -3.9131360000e+00  5.9141600000e-01 -1.7348610000e+00 -4.8398040000e+00
-ENERGY -1.526539962800e+02
-FORCES  3.9528000000e-03 -9.1370000000e-04  2.4643000000e-03 -6.0490000000e-04 -5.7000000000e-04 -3.8114000000e-03 -3.3468000000e-03  1.4776000000e-03  1.3357000000e-03  3.7750000000e-03  1.8584000000e-03 -2.1603000000e-03 -1.7913000000e-03 -3.3792000000e-03 -8.1670000000e-04 -1.9848000000e-03  1.5269000000e-03  2.9883000000e-03
-
-JOB 0
-COORDS -4.3168200000e-01 -1.8592600000e-01 -1.2939890000e+00  8.3608000000e-02 -9.7134000000e-02 -4.9222600000e-01  1.8868300000e-01 -5.1920300000e-01 -1.9422990000e+00  4.1247000000e-01  1.6645700000e-01  1.2640330000e+00  3.7141500000e-01  1.1161760000e+00  1.3761910000e+00 -4.6013300000e-01 -1.4198700000e-01  1.5082850000e+00
-ENERGY -1.526610434227e+02
-FORCES  7.3106000000e-03  8.4490000000e-04  1.1743500000e-02 -6.0013000000e-03 -1.0782000000e-03 -9.6465000000e-03 -6.5270000000e-04  1.3132000000e-03  3.4737000000e-03 -5.7264000000e-03  2.0476000000e-03 -9.5880000000e-04 -2.0590000000e-04 -5.3471000000e-03 -1.5742000000e-03  5.2758000000e-03  2.2196000000e-03 -3.0376000000e-03
-
-JOB 1
-COORDS  1.0257110000e+00 -4.2833000000e-02  7.8467800000e-01  1.7418460000e+00  5.0353700000e-01  1.1085040000e+00  1.0094810000e+00 -7.9371100000e-01  1.3781010000e+00 -1.1189590000e+00  3.6015000000e-02 -8.3983400000e-01 -4.5895000000e-01  1.0228300000e-01 -1.4974100000e-01 -6.9260800000e-01  4.0048100000e-01 -1.6154760000e+00
-ENERGY -1.526595845958e+02
-FORCES -3.7269000000e-03  3.5710000000e-04 -2.0905000000e-03 -2.6012000000e-03 -4.1346000000e-03 -1.0477000000e-03  4.8290000000e-04  4.8188000000e-03 -2.5468000000e-03  1.4162700000e-02  1.3103000000e-03  6.6119000000e-03 -7.0453000000e-03 -1.8982000000e-03 -2.6935000000e-03 -1.2723000000e-03 -4.5320000000e-04  1.7665000000e-03
-
-JOB 2
-COORDS -7.9559900000e-01 -2.0572100000e-01  1.1156820000e+00 -1.9296000000e-02 -4.9816000000e-01  6.3812000000e-01 -1.4591940000e+00 -8.6831500000e-01  9.2373600000e-01  8.1452700000e-01  2.4621300000e-01 -1.0135380000e+00 -5.3910000000e-03  7.1867800000e-01 -1.1575630000e+00  1.1405940000e+00  5.7618000000e-02 -1.8935060000e+00
-ENERGY -1.526596772199e+02
-FORCES  6.8725000000e-03 -3.4615000000e-03 -6.7283000000e-03 -6.3672000000e-03  6.8480000000e-04  4.8737000000e-03  2.3818000000e-03  2.8112000000e-03 -6.5600000000e-04 -4.7501000000e-03  2.3829000000e-03  4.3590000000e-04  4.9700000000e-03 -3.5687000000e-03 -1.5821000000e-03 -3.1071000000e-03  1.1513000000e-03  3.6568000000e-03
-
-JOB 3
-COORDS  1.1357760000e+00 -1.8163000000e-02  6.3422400000e-01  1.9504410000e+00  4.7756900000e-01  7.1670200000e-01  1.1336650000e+00 -6.0402200000e-01  1.3911890000e+00 -1.2062260000e+00 -5.5120000000e-03 -7.3811000000e-01 -1.7134870000e+00  3.7538300000e-01 -2.1286000000e-02 -2.9341100000e-01  1.4665900000e-01 -4.9347800000e-01
-ENERGY -1.526595674018e+02
-FORCES -3.8314000000e-03 -2.2861000000e-03  2.7200000000e-05 -4.1350000000e-03 -2.8548000000e-03  4.1230000000e-04  1.6495000000e-03  4.0410000000e-03 -2.6442000000e-03  1.1241000000e-02  1.9321000000e-03  8.8897000000e-03  8.0050000000e-04 -1.5278000000e-03 -1.6450000000e-03 -5.7246000000e-03  6.9570000000e-04 -5.0401000000e-03
-
-JOB 4
-COORDS  2.7666900000e-01 -8.8909600000e-01 -1.0082130000e+00  7.6035800000e-01 -1.6944560000e+00 -1.1917110000e+00  9.3302300000e-01 -1.9524600000e-01 -1.0714980000e+00 -3.5287100000e-01  9.2069700000e-01  1.0755300000e+00 -1.2859300000e-01  7.7020000000e-03  8.9560800000e-01 -8.4297000000e-02  1.3935180000e+00  2.8778600000e-01
-ENERGY -1.526553619540e+02
-FORCES  3.7851000000e-03  8.3980000000e-04 -1.9975000000e-03 -2.3053000000e-03  4.2990000000e-03  1.8076000000e-03 -4.7644000000e-03 -1.6725000000e-03  2.8856000000e-03  2.4010000000e-04 -7.3897000000e-03 -9.2987000000e-03  1.3996000000e-03  5.0163000000e-03  4.8616000000e-03  1.6449000000e-03 -1.0929000000e-03  1.7414000000e-03
-
-JOB 5
-COORDS -2.8496700000e-01 -1.2783330000e+00  6.4282800000e-01 -4.1672100000e-01 -3.8010800000e-01  3.3940700000e-01  6.3777600000e-01 -1.4592120000e+00  4.6377200000e-01  2.9396400000e-01  1.2262910000e+00 -5.8073000000e-01  3.1986000000e-01  1.3060800000e+00 -1.5342470000e+00 -6.2397500000e-01  1.3729780000e+00 -3.5247100000e-01
-ENERGY -1.526549268768e+02
-FORCES  8.5180000000e-03  9.5069000000e-03 -6.1388000000e-03 -8.2442000000e-03  9.9440000000e-04  2.6195000000e-03 -2.7142000000e-03 -2.2607000000e-03  1.1739000000e-03 -2.8767000000e-03 -5.1920000000e-04 -3.7847000000e-03 -3.8000000000e-06 -1.2900000000e-04  5.0351000000e-03  5.3209000000e-03 -7.5923000000e-03  1.0950000000e-03
-
-JOB 6
-COORDS  1.2619700000e+00  5.6715800000e-01 -4.7681800000e-01  1.6987660000e+00  3.6833800000e-01  3.5138000000e-01  4.4200800000e-01  7.4680000000e-02 -4.3996000000e-01 -1.2012940000e+00 -4.6993500000e-01  3.9389100000e-01 -1.0941340000e+00 -7.6639900000e-01  1.2976930000e+00 -1.8676570000e+00 -1.0515530000e+00  2.7950000000e-02
-ENERGY -1.526593277468e+02
-FORCES -1.0049000000e-02 -5.1490000000e-03  5.5923000000e-03 -1.2511000000e-03  5.3370000000e-04 -1.8456000000e-03  8.0342000000e-03  2.2811000000e-03 -3.5362000000e-03 -5.9800000000e-05 -1.3051000000e-03  2.2393000000e-03 -2.7320000000e-04  9.1270000000e-04 -4.7893000000e-03  3.5989000000e-03  2.7265000000e-03  2.3395000000e-03
-
-JOB 7
-COORDS -1.1400500000e+00 -6.4462900000e-01  6.8609900000e-01 -3.4064900000e-01 -8.5797200000e-01  2.0477400000e-01 -1.3375400000e+00  2.5779200000e-01  4.3536700000e-01  1.1333810000e+00  5.5809600000e-01 -6.0793400000e-01  6.9357600000e-01  5.2034500000e-01 -1.4572740000e+00  1.0262020000e+00  1.4653750000e+00 -3.2229800000e-01
-ENERGY -1.526556349361e+02
-FORCES  1.0239900000e-02  6.4783000000e-03 -4.6369000000e-03 -5.6965000000e-03 -3.9448000000e-03 -8.7100000000e-05 -1.3549000000e-03 -1.3879000000e-03  5.4310000000e-04 -2.5453000000e-03  4.2894000000e-03  2.0430000000e-04  9.0700000000e-05 -1.1753000000e-03  5.9634000000e-03 -7.3400000000e-04 -4.2597000000e-03 -1.9869000000e-03
-
-JOB 8
-COORDS  1.2248100000e+00 -1.4723700000e-01  7.0495800000e-01  2.1374280000e+00 -4.1344000000e-01  5.9317300000e-01  8.5429000000e-01 -1.8425900000e-01 -1.7684500000e-01 -1.2413590000e+00  1.2035200000e-01 -7.0018000000e-01 -1.7320670000e+00 -6.5364000000e-02  1.0041200000e-01 -9.6591700000e-01  1.0322910000e+00 -6.0673900000e-01
-ENERGY -1.526590833959e+02
-FORCES -3.1707000000e-03 -2.1661000000e-03 -5.3160000000e-03 -4.2855000000e-03  8.0290000000e-04 -9.7990000000e-04  7.0983000000e-03  3.0784000000e-03  4.3286000000e-03 -1.3748000000e-03  2.3388000000e-03  7.8064000000e-03  7.8000000000e-04  1.3156000000e-03 -4.4246000000e-03  9.5260000000e-04 -5.3697000000e-03 -1.4146000000e-03
-
-JOB 9
-COORDS -4.0944200000e-01 -1.1333980000e+00 -7.8630000000e-01 -7.5775100000e-01 -1.5739120000e+00 -1.1149000000e-02 -1.0275120000e+00 -4.2256600000e-01 -9.5641400000e-01  4.3418800000e-01  1.1582730000e+00  8.0321700000e-01 -5.7491000000e-02  8.0412500000e-01  6.2229000000e-02  1.3276780000e+00  8.4094600000e-01  6.7202100000e-01
-ENERGY -1.526530201742e+02
-FORCES -4.0500000000e-03  2.0400000000e-04  5.6276000000e-03  1.6016000000e-03  1.8765000000e-03 -4.5333000000e-03  7.6036000000e-03  1.8450000000e-03  4.2721000000e-03  3.0838000000e-03 -9.7899000000e-03 -7.1209000000e-03 -6.0379000000e-03  3.1863000000e-03 -3.8850000000e-04 -2.2011000000e-03  2.6781000000e-03  2.1430000000e-03
-
-JOB 10
-COORDS  1.2613260000e+00  4.0067100000e-01 -5.3776300000e-01  1.1849960000e+00  1.3246440000e+00 -7.7584100000e-01  1.5005310000e+00  4.1061500000e-01  3.8901300000e-01 -1.3093280000e+00 -4.0177200000e-01  5.1058200000e-01 -3.8158700000e-01 -5.1008400000e-01  7.1985700000e-01 -1.5459200000e+00 -1.2046530000e+00  4.6213000000e-02
-ENERGY -1.526524191203e+02
-FORCES -3.8266000000e-03  5.9168000000e-03  1.5369000000e-03  1.8887000000e-03 -3.9633000000e-03  8.6560000000e-04 -5.1148000000e-03 -3.1321000000e-03 -3.0881000000e-03  8.2032000000e-03 -1.7844000000e-03 -6.6171000000e-03 -1.3461000000e-03  1.6980000000e-04  5.2651000000e-03  1.9560000000e-04  2.7932000000e-03  2.0377000000e-03
-
-JOB 11
-COORDS -7.6387200000e-01 -8.6366500000e-01  7.5288900000e-01 -6.1714300000e-01 -1.5780940000e+00  1.3728030000e+00 -1.6163430000e+00 -5.0416200000e-01  9.9841700000e-01  8.1008700000e-01  9.3765200000e-01 -7.8247900000e-01  2.7767500000e-01  2.2255300000e-01 -4.3405000000e-01  1.1930710000e+00  5.8283600000e-01 -1.5847630000e+00
-ENERGY -1.526613437379e+02
-FORCES -7.6000000000e-06  4.2110000000e-04  2.9213000000e-03 -2.3481000000e-03  3.0921000000e-03 -2.2159000000e-03  4.0342000000e-03 -2.6072000000e-03 -6.2180000000e-04 -4.1702000000e-03 -7.7354000000e-03  3.4860000000e-03  3.9457000000e-03  6.6280000000e-03 -6.4977000000e-03 -1.4539000000e-03  2.0140000000e-04  2.9281000000e-03
-
-JOB 12
-COORDS  1.1277000000e+00  6.6214600000e-01  6.7900000000e-01  9.3260700000e-01  1.5838480000e+00  8.4822500000e-01  5.0110100000e-01  4.0442900000e-01  2.8440000000e-03 -1.0385040000e+00 -6.8033700000e-01 -6.0018800000e-01 -1.7534100000e+00 -2.4738800000e-01 -1.0667670000e+00 -9.9585400000e-01 -1.5555840000e+00 -9.8535800000e-01
-ENERGY -1.526596986093e+02
-FORCES -8.5432000000e-03 -2.6762000000e-03 -4.1520000000e-03 -2.4790000000e-04 -2.9874000000e-03 -1.1207000000e-03  7.4185000000e-03  5.9053000000e-03  2.9625000000e-03 -1.3491000000e-03 -2.9413000000e-03 -1.2497000000e-03  4.0172000000e-03 -1.8063000000e-03  2.2410000000e-03 -1.2956000000e-03  4.5059000000e-03  1.3189000000e-03
-
-JOB 13
-COORDS  1.3491690000e+00 -2.0844500000e-01 -4.1945600000e-01  1.3798040000e+00 -1.1587010000e+00 -5.3038600000e-01  1.1443030000e+00  1.2850800000e-01 -1.2916510000e+00 -1.3942500000e+00  2.6310900000e-01  4.6549300000e-01 -1.1026390000e+00  3.3929900000e-01  1.3740030000e+00 -6.2285200000e-01 -4.6839000000e-02 -8.9640000000e-03
-ENERGY -1.526587563442e+02
-FORCES  2.8088000000e-03 -1.1523000000e-03 -3.8802000000e-03 -2.5398000000e-03  5.6274000000e-03  1.0416000000e-03 -1.8430000000e-03 -2.7816000000e-03  6.0740000000e-03  1.2501100000e-02 -9.6960000000e-04  1.2207000000e-03 -2.3553000000e-03 -3.8040000000e-04 -2.0504000000e-03 -8.5719000000e-03 -3.4360000000e-04 -2.4057000000e-03
-
-JOB 14
-COORDS  5.4267200000e-01  7.1884000000e-02  1.3392190000e+00 -1.9418100000e-01  6.2804200000e-01  1.0863000000e+00  1.2393770000e+00  6.8658100000e-01  1.5693920000e+00 -5.0060900000e-01 -1.1061400000e-01 -1.3834060000e+00 -3.0027300000e-01 -2.5006400000e-01 -4.5785100000e-01 -1.3591520000e+00 -5.1548100000e-01 -1.5067670000e+00
-ENERGY -1.526559646457e+02
-FORCES  2.8245000000e-03  6.6392000000e-03 -3.0020000000e-04  3.0785000000e-03 -8.1143000000e-03 -4.7039000000e-03 -3.8194000000e-03 -2.6070000000e-03  1.1750000000e-04  2.4317000000e-03 -4.3103000000e-03  4.8314000000e-03 -7.8631000000e-03  6.4080000000e-03 -1.9609000000e-03  3.3479000000e-03  1.9843000000e-03  2.0160000000e-03
-
-JOB 15
-COORDS -6.2854200000e-01 -1.0293810000e+00  8.4543400000e-01  8.8800000000e-03 -4.1807700000e-01  4.7633600000e-01 -9.8366000000e-02 -1.6806110000e+00  1.3048290000e+00  6.2206600000e-01  1.0328980000e+00 -7.9687600000e-01  5.7009100000e-01  5.2566400000e-01 -1.6069650000e+00 -2.0504200000e-01  1.5133600000e+00 -7.6108000000e-01
-ENERGY -1.526616118453e+02
-FORCES  6.7959000000e-03  4.9489000000e-03 -2.4616000000e-03 -6.1824000000e-03 -7.7230000000e-03  4.7000000000e-03 -8.8150000000e-04  2.6268000000e-03 -2.3144000000e-03 -4.4584000000e-03  1.6475000000e-03 -5.1277000000e-03  2.2220000000e-04  1.9407000000e-03  4.9776000000e-03  4.5042000000e-03 -3.4409000000e-03  2.2600000000e-04
-
-JOB 16
-COORDS -9.6456300000e-01 -7.8858500000e-01 -6.1283900000e-01 -1.4069660000e+00 -2.2575200000e-01 -1.2482370000e+00 -1.4507490000e+00 -1.6125770000e+00 -6.4268400000e-01  1.0058290000e+00  8.6347600000e-01  6.5654400000e-01  1.8393000000e+00  3.9279800000e-01  6.5205000000e-01  3.4846300000e-01  1.8910800000e-01  4.8528700000e-01
-ENERGY -1.526612909202e+02
-FORCES -2.2316000000e-03  8.7400000000e-04 -2.2482000000e-03  1.0605000000e-03 -4.0032000000e-03  2.8857000000e-03  1.8446000000e-03  3.9880000000e-03 -9.9260000000e-04 -4.0287000000e-03 -7.9959000000e-03 -3.7223000000e-03 -2.5862000000e-03  1.1581000000e-03  1.2390000000e-04  5.9414000000e-03  5.9791000000e-03  3.9536000000e-03
-
-JOB 17
-COORDS -1.0471090000e+00  6.1716000000e-01  7.2725700000e-01 -3.5950900000e-01  4.2220800000e-01  1.3639930000e+00 -1.8411750000e+00  7.1252500000e-01  1.2531830000e+00  1.0841480000e+00 -5.8526200000e-01 -7.2848700000e-01  2.6694200000e-01 -3.2586200000e-01 -1.1540660000e+00  1.4206740000e+00 -1.2991770000e+00 -1.2700650000e+00
-ENERGY -1.526586230315e+02
-FORCES  2.8487000000e-03 -1.5055000000e-03  4.6103000000e-03 -5.3183000000e-03  2.3227000000e-03 -7.5930000000e-04  3.5473000000e-03 -9.5610000000e-04 -1.8836000000e-03 -5.1311000000e-03  2.4010000000e-04 -2.6984000000e-03  6.1888000000e-03 -2.7582000000e-03 -1.3395000000e-03 -2.1354000000e-03  2.6570000000e-03  2.0705000000e-03
-
-JOB 18
-COORDS -9.1951800000e-01 -1.1802050000e+00 -3.4260600000e-01 -1.2536960000e+00 -6.9086300000e-01 -1.0943390000e+00 -4.5077200000e-01 -5.2855200000e-01  1.7879300000e-01  8.5633100000e-01  1.0817980000e+00  3.5960500000e-01  1.6474510000e+00  1.0114950000e+00  8.9385000000e-01  1.0528180000e+00  1.7754450000e+00 -2.7006100000e-01
-ENERGY -1.526599114153e+02
-FORCES  4.7808000000e-03  9.4178000000e-03  1.5760000000e-04  4.3090000000e-04 -1.9027000000e-03  1.5433000000e-03 -4.9443000000e-03 -6.9763000000e-03 -1.7970000000e-04  3.5867000000e-03  1.5108000000e-03 -1.9537000000e-03 -3.5870000000e-03  7.5090000000e-04 -2.7258000000e-03 -2.6700000000e-04 -2.8006000000e-03  3.1583000000e-03
-
-JOB 19
-COORDS  1.1821000000e-02  9.9715700000e-01 -1.1685260000e+00 -2.7269200000e-01  1.9863100000e-01 -7.2395700000e-01  6.2186000000e-02  1.6536780000e+00 -4.7377800000e-01 -3.4097000000e-02 -1.0136950000e+00  1.0525970000e+00  9.0735500000e-01 -1.0094630000e+00  1.2254620000e+00 -4.2132100000e-01 -5.9695200000e-01  1.8224120000e+00
-ENERGY -1.526595379632e+02
-FORCES -1.4063000000e-03 -5.0397000000e-03  8.8643000000e-03  2.6450000000e-04  5.6703000000e-03 -6.5933000000e-03  2.4750000000e-04 -1.1844000000e-03 -2.1686000000e-03  3.6274000000e-03  1.0352000000e-03  4.3640000000e-03 -4.9970000000e-03  4.4160000000e-04 -2.5940000000e-04  2.2640000000e-03 -9.2290000000e-04 -4.2070000000e-03
-
-JOB 20
-COORDS  6.2907000000e-02  5.2721900000e-01 -1.4446950000e+00  2.6183400000e-01  3.8990500000e-01 -5.1851700000e-01 -8.3220300000e-01  2.0431400000e-01 -1.5483400000e+00 -4.2147000000e-02 -4.5022600000e-01  1.3679750000e+00  6.4418600000e-01 -3.3995400000e-01  2.0260160000e+00 -2.1612900000e-01 -1.3914300000e+00  1.3580700000e+00
-ENERGY -1.526606857877e+02
-FORCES -3.3974000000e-03 -3.2414000000e-03  9.5103000000e-03  1.8191000000e-03  3.2479000000e-03 -8.3422000000e-03  2.5747000000e-03  4.7340000000e-04 -8.1840000000e-04  1.3676000000e-03 -4.2416000000e-03  2.8547000000e-03 -3.1189000000e-03 -9.0690000000e-04 -3.6157000000e-03  7.5490000000e-04  4.6686000000e-03  4.1130000000e-04
-
-JOB 21
-COORDS -1.2083250000e+00  4.9671600000e-01  6.9712300000e-01 -1.1794620000e+00  1.1686580000e+00  1.6026000000e-02 -1.9307900000e+00 -7.5711000000e-02  4.3904600000e-01  1.2526670000e+00 -5.5854700000e-01 -6.8492300000e-01  1.5585970000e+00  3.3742400000e-01 -8.2589900000e-01  7.8857700000e-01 -5.2485400000e-01  1.5156800000e-01
-ENERGY -1.526582904925e+02
-FORCES -3.3630000000e-03 -1.3100000000e-05 -6.4100000000e-03  5.1090000000e-04 -2.3773000000e-03  3.4925000000e-03  3.1700000000e-03  2.6949000000e-03  1.4542000000e-03 -4.7548000000e-03  4.9788000000e-03  6.0873000000e-03 -1.5500000000e-03 -2.6099000000e-03 -3.9070000000e-04  5.9869000000e-03 -2.6734000000e-03 -4.2334000000e-03
-
-JOB 22
-COORDS -8.9256900000e-01  7.8666600000e-01 -9.6186500000e-01 -6.9317500000e-01 -9.1124000000e-02 -1.2873780000e+00 -1.3585690000e+00  6.3743300000e-01 -1.3918300000e-01  8.3998800000e-01 -7.4248800000e-01  9.2500700000e-01  1.5774440000e+00 -1.2205620000e+00  1.3042620000e+00  1.2168520000e+00  8.7402000000e-02  6.3262500000e-01
-ENERGY -1.526589627740e+02
-FORCES -9.8480000000e-04 -7.6076000000e-03  4.0402000000e-03 -1.0103000000e-03  4.5508000000e-03 -8.9870000000e-04  1.0569000000e-03  2.5129000000e-03 -3.6908000000e-03  3.9431000000e-03  3.2292000000e-03 -1.2220000000e-04 -2.8764000000e-03  2.4813000000e-03 -2.2997000000e-03 -1.2850000000e-04 -5.1666000000e-03  2.9712000000e-03
-
-JOB 23
-COORDS -1.1696610000e+00  8.8869400000e-01 -4.1516300000e-01 -5.0525600000e-01  2.1641300000e-01 -2.6404600000e-01 -1.7995010000e+00  4.7521800000e-01 -1.0055620000e+00  1.1412520000e+00 -8.7177800000e-01  4.1198400000e-01  1.8599280000e+00 -2.8983200000e-01  1.6485000000e-01  8.5656000000e-01 -5.5145800000e-01  1.2678910000e+00
-ENERGY -1.526611096083e+02
-FORCES  3.8829000000e-03 -7.3203000000e-03 -1.3766000000e-03 -7.1458000000e-03  7.4758000000e-03  5.6560000000e-04  2.3940000000e-03  1.0988000000e-03  1.9917000000e-03  5.5122000000e-03  2.2038000000e-03  4.1801000000e-03 -4.4373000000e-03 -2.7157000000e-03  1.2234000000e-03 -2.0600000000e-04 -7.4240000000e-04 -6.5842000000e-03
-
-JOB 24
-COORDS -1.0068060000e+00  3.3907400000e-01  1.1391210000e+00 -1.2356230000e+00  2.8924500000e-01  2.1101000000e-01 -1.7690100000e-01 -1.3297800000e-01  1.2073680000e+00  9.6019600000e-01 -3.5054600000e-01 -1.0425360000e+00  7.6544900000e-01  5.8158200000e-01 -1.1397140000e+00  1.4121980000e+00 -5.8699300000e-01 -1.8524850000e+00
-ENERGY -1.526580177852e+02
-FORCES  4.2103000000e-03 -6.0010000000e-03 -5.2068000000e-03  7.4000000000e-06  3.5007000000e-03  2.7520000000e-03 -3.6830000000e-03  3.5332000000e-03  2.4934000000e-03  2.4974000000e-03  2.5427000000e-03 -3.9342000000e-03 -7.5610000000e-04 -5.3470000000e-03  4.6190000000e-04 -2.2760000000e-03  1.7713000000e-03  3.4337000000e-03
-
-JOB 25
-COORDS -5.0095200000e-01  1.4117490000e+00 -4.8606300000e-01  5.9814000000e-02  1.2864710000e+00 -1.2516200000e+00 -5.6470800000e-01  5.4246400000e-01 -9.0448000000e-02  4.5848200000e-01 -1.3064190000e+00  4.6549300000e-01  1.2659530000e+00 -1.8135280000e+00  5.4953700000e-01 -8.4485000000e-02 -1.5965170000e+00  1.1984740000e+00
-ENERGY -1.526586929964e+02
-FORCES  5.2632000000e-03 -8.6790000000e-03 -3.5590000000e-04 -1.8724000000e-03  1.9956000000e-03  1.5015000000e-03 -4.9808000000e-03  5.5269000000e-03 -1.6130000000e-04  3.4351000000e-03 -2.6882000000e-03  2.8075000000e-03 -3.9168000000e-03  1.3610000000e-03  1.4680000000e-04  2.0717000000e-03  2.4838000000e-03 -3.9386000000e-03
-
-JOB 26
-COORDS  1.9180000000e-03 -1.1751830000e+00  9.0205200000e-01 -3.4503500000e-01 -1.6072540000e+00  1.2155800000e-01  5.0102800000e-01 -1.8569140000e+00  1.3519010000e+00  2.0430000000e-03  1.2582720000e+00 -9.4967500000e-01 -7.0275500000e-01  1.5753850000e+00 -3.8493400000e-01  4.7164300000e-01  6.2042900000e-01 -4.1221400000e-01
-ENERGY -1.526601959588e+02
-FORCES -7.5760000000e-04 -5.9583000000e-03 -2.6080000000e-04  2.8024000000e-03  2.4903000000e-03  4.0664000000e-03 -2.4792000000e-03  2.8090000000e-03 -2.5722000000e-03 -4.3620000000e-04 -3.1853000000e-03  8.2785000000e-03  1.7445000000e-03 -2.5850000000e-04 -3.0407000000e-03 -8.7390000000e-04  4.1029000000e-03 -6.4713000000e-03
-
-JOB 27
-COORDS  6.4103500000e-01  7.9713700000e-01  1.2009030000e+00  5.1481600000e-01  1.6357600000e+00  7.5704200000e-01  3.8182700000e-01  1.4151900000e-01  5.5344100000e-01 -6.1813700000e-01 -8.0109400000e-01 -1.0641470000e+00 -1.3504420000e+00 -9.2341100000e-01 -1.6683000000e+00  1.4765100000e-01 -7.0843500000e-01 -1.6309050000e+00
-ENERGY -1.526588808003e+02
-FORCES -5.7117000000e-03 -1.6092000000e-03 -6.3755000000e-03  1.2003000000e-03 -2.2731000000e-03  1.5233000000e-03  6.7901000000e-03  3.5285000000e-03  3.6005000000e-03 -2.9202000000e-03 -9.6910000000e-04 -4.7476000000e-03  4.1037000000e-03  3.7790000000e-04  1.4520000000e-03 -3.4622000000e-03  9.4510000000e-04  4.5473000000e-03
-
-JOB 28
-COORDS -4.1195200000e-01 -2.3984600000e-01 -1.5228130000e+00  4.6878600000e-01 -6.0600100000e-01 -1.6032030000e+00 -5.4729900000e-01 -1.4503200000e-01 -5.7998500000e-01  3.9667100000e-01  2.3303800000e-01  1.4107970000e+00  7.7416900000e-01  4.6821600000e-01  2.2583920000e+00 -5.3909700000e-01  4.0971300000e-01  1.5075230000e+00
-ENERGY -1.526559465366e+02
-FORCES  6.8019000000e-03 -6.7160000000e-04  6.5105000000e-03 -3.2738000000e-03  6.7430000000e-04 -2.0204000000e-03 -5.1885000000e-03  5.9980000000e-04 -1.9162000000e-03 -7.7910000000e-04  2.5890000000e-03  5.2545000000e-03 -1.9535000000e-03 -9.1680000000e-04 -3.5893000000e-03  4.3930000000e-03 -2.2747000000e-03 -4.2392000000e-03
-
-JOB 29
-COORDS  3.3773100000e-01 -7.6653300000e-01 -1.3246370000e+00 -5.7060300000e-01 -5.9878700000e-01 -1.0735950000e+00  6.0780700000e-01 -1.5001490000e+00 -7.7228000000e-01 -3.3368500000e-01  8.0122500000e-01  1.3115740000e+00  2.3519300000e-01  6.1221000000e-02  1.0994300000e+00 -7.0554000000e-02  1.4891830000e+00  7.0025800000e-01
-ENERGY -1.526563834058e+02
-FORCES -4.7560000000e-03 -2.9085000000e-03  2.0864000000e-03  5.4089000000e-03 -7.5200000000e-04 -1.3977000000e-03 -6.9960000000e-04  5.0151000000e-03 -3.9810000000e-04  6.3290000000e-03  5.0260000000e-04 -5.6928000000e-03 -3.7044000000e-03  1.6400000000e-05  2.2188000000e-03 -2.5780000000e-03 -1.8736000000e-03  3.1834000000e-03
-
-JOB 30
-COORDS -4.9094100000e-01  1.3996290000e+00  5.2145300000e-01 -4.7559500000e-01  5.5854400000e-01  9.7815100000e-01 -1.4080250000e+00  1.5230620000e+00  2.7659900000e-01  4.7818600000e-01 -1.3565910000e+00 -5.4680100000e-01  1.0089310000e+00 -2.1346420000e+00 -3.7598300000e-01  1.0954110000e+00 -6.2735500000e-01 -4.8780200000e-01
-ENERGY -1.526581435930e+02
-FORCES -5.1391000000e-03 -5.1729000000e-03 -3.4700000000e-04  1.2869000000e-03  5.6895000000e-03 -4.7910000000e-04  3.2508000000e-03  1.8980000000e-04  1.5044000000e-03  5.1203000000e-03  1.0139000000e-03 -1.7261000000e-03 -2.3033000000e-03  3.8098000000e-03 -2.7060000000e-04 -2.2157000000e-03 -5.5301000000e-03  1.3183000000e-03
-
-JOB 31
-COORDS  1.3016460000e+00 -7.7836500000e-01  3.5021700000e-01  2.0018260000e+00 -2.0678600000e-01  3.5135000000e-02  1.7276150000e+00 -1.6236820000e+00  4.9241900000e-01 -1.3322510000e+00  8.4953500000e-01 -3.5807800000e-01 -2.0825230000e+00  3.9972200000e-01 -7.4665400000e-01 -1.0319100000e+00  2.6099000000e-01  3.3448400000e-01
-ENERGY -1.526576186601e+02
-FORCES  5.4544000000e-03  9.6500000000e-05 -2.1139000000e-03 -2.0039000000e-03 -3.3758000000e-03  1.9848000000e-03 -1.9383000000e-03  3.5679000000e-03 -8.7330000000e-04  1.2655000000e-03 -6.0542000000e-03  1.6789000000e-03  2.6004000000e-03  1.5435000000e-03  1.4099000000e-03 -5.3781000000e-03  4.2221000000e-03 -2.0863000000e-03
-
-JOB 32
-COORDS -2.4370400000e-01  1.3587580000e+00  9.3297600000e-01  5.6202000000e-01  1.3138270000e+00  1.4477790000e+00 -1.5064100000e-01  6.6459100000e-01  2.8051700000e-01  1.6530300000e-01 -1.2682000000e+00 -9.4807100000e-01  1.0869050000e+00 -1.4821190000e+00 -1.0933960000e+00 -1.5426800000e-01 -1.9625520000e+00 -3.7189300000e-01
-ENERGY -1.526600994447e+02
-FORCES  3.5050000000e-03 -5.2450000000e-03 -3.3950000000e-03 -2.6226000000e-03  4.0000000000e-05 -1.5586000000e-03 -1.0715000000e-03  7.0412000000e-03  6.4376000000e-03  2.3937000000e-03 -6.8397000000e-03 -4.5550000000e-04 -4.3437000000e-03  1.1857000000e-03  1.4440000000e-03  2.1391000000e-03  3.8179000000e-03 -2.4724000000e-03
-
-JOB 33
-COORDS  7.9124300000e-01 -9.7059600000e-01 -1.0780460000e+00 -1.2997800000e-01 -1.2136550000e+00 -1.1702660000e+00  1.0625610000e+00 -1.3678030000e+00 -2.5049200000e-01 -7.0410300000e-01  9.7590700000e-01  1.0126330000e+00 -1.4228020000e+00  1.3028870000e+00  4.7153400000e-01 -9.6266700000e-01  1.1888890000e+00  1.9093020000e+00
-ENERGY -1.526537094436e+02
-FORCES -3.8751000000e-03  4.7900000000e-05  6.5915000000e-03  3.1335000000e-03  3.1470000000e-04 -1.2599000000e-03  1.8560000000e-04 -3.9630000000e-04 -4.0686000000e-03 -3.6276000000e-03  3.6282000000e-03  1.6640000000e-04  2.5338000000e-03 -2.0584000000e-03  2.5634000000e-03  1.6498000000e-03 -1.5362000000e-03 -3.9928000000e-03
-
-JOB 34
-COORDS -1.4651140000e+00  6.7313400000e-01  5.5683800000e-01 -8.2719000000e-01  1.2821720000e+00  1.8487300000e-01 -1.1119260000e+00 -1.9440000000e-01  3.5967100000e-01  1.3529210000e+00 -6.6582900000e-01 -4.8286200000e-01  2.0448240000e+00 -1.3260000000e-02 -3.7490600000e-01  1.5580600000e+00 -1.0982110000e+00 -1.3118350000e+00
-ENERGY -1.526581891775e+02
-FORCES  7.2747000000e-03 -2.9404000000e-03 -3.3878000000e-03 -3.0167000000e-03  1.9330000000e-04  1.7839000000e-03 -5.2268000000e-03  2.8531000000e-03  1.6932000000e-03  5.4024000000e-03  2.5360000000e-04 -2.8703000000e-03 -3.4706000000e-03 -2.4789000000e-03 -9.9860000000e-04 -9.6310000000e-04  2.1194000000e-03  3.7795000000e-03
-
-JOB 35
-COORDS  1.9493500000e-01 -5.6024100000e-01 -1.5564680000e+00  1.1219560000e+00 -4.9341300000e-01 -1.7853730000e+00 -2.2475000000e-02  2.9426100000e-01 -1.1839210000e+00 -2.9405400000e-01  5.3736800000e-01  1.5630740000e+00 -2.2946500000e-01 -3.6632500000e-01  1.2542050000e+00  6.1276500000e-01  8.4008500000e-01  1.6107400000e+00
-ENERGY -1.526576911337e+02
-FORCES  1.7206000000e-03  5.1327000000e-03 -7.6160000000e-04 -3.7183000000e-03 -2.0780000000e-04  1.8464000000e-03  2.4068000000e-03 -5.1093000000e-03 -2.6127000000e-03  3.8519000000e-03 -4.6600000000e-03  5.3510000000e-04 -4.2660000000e-04  5.5055000000e-03  2.3889000000e-03 -3.8344000000e-03 -6.6110000000e-04 -1.3962000000e-03
-
-JOB 36
-COORDS -9.9027600000e-01  1.3652690000e+00 -5.3744000000e-01 -1.3000070000e+00  1.5779850000e+00  3.4292900000e-01 -6.2108400000e-01  4.8589500000e-01 -4.5600700000e-01  9.1357000000e-01 -1.3333520000e+00  4.7213200000e-01  1.4033620000e+00 -1.5379490000e+00  1.2686720000e+00  1.5783980000e+00 -1.0345470000e+00 -1.4831200000e-01
-ENERGY -1.526585730569e+02
-FORCES  7.2630000000e-04 -4.8214000000e-03  5.3160000000e-03  7.1040000000e-04  1.4590000000e-04 -3.2469000000e-03 -2.0793000000e-03  6.0341000000e-03 -3.3952000000e-03  6.3811000000e-03 -1.1922000000e-03  2.2519000000e-03 -1.6667000000e-03  6.6020000000e-04 -3.6697000000e-03 -4.0717000000e-03 -8.2660000000e-04  2.7439000000e-03
-
-JOB 37
-COORDS  1.4806090000e+00 -7.9292600000e-01  5.0227400000e-01  5.5004400000e-01 -5.7330200000e-01  5.4750800000e-01  1.4974930000e+00 -1.7421050000e+00  3.7977700000e-01 -1.4004330000e+00  8.3926200000e-01 -4.4780000000e-01 -1.7719360000e+00  4.8597000000e-02 -8.3903700000e-01 -1.6117530000e+00  1.5363650000e+00 -1.0687850000e+00
-ENERGY -1.526567033670e+02
-FORCES -4.7416000000e-03 -5.5230000000e-04 -3.5020000000e-04  5.4034000000e-03 -4.8176000000e-03  8.6870000000e-04 -5.4640000000e-04  3.6525000000e-03  9.3200000000e-05 -2.6798000000e-03  2.3574000000e-03 -5.7391000000e-03  2.6828000000e-03  2.6152000000e-03  2.6730000000e-03 -1.1850000000e-04 -3.2551000000e-03  2.4543000000e-03
-
-JOB 38
-COORDS -1.4062670000e+00 -8.2951500000e-01  4.4565000000e-01 -9.7271600000e-01 -1.3039410000e+00  1.1550050000e+00 -2.3323050000e+00 -1.0534660000e+00  5.3801600000e-01  1.4931960000e+00  8.4537100000e-01 -4.3823700000e-01  5.7085300000e-01  5.9734100000e-01 -5.0145500000e-01  1.6260850000e+00  1.4610690000e+00 -1.1589920000e+00
-ENERGY -1.526588504070e+02
-FORCES -3.1974000000e-03 -3.7632000000e-03  4.0392000000e-03 -2.5176000000e-03  2.0083000000e-03 -3.1983000000e-03  3.8922000000e-03  4.7730000000e-04  7.0100000000e-05 -4.8330000000e-03  6.4550000000e-04 -2.7681000000e-03  7.2104000000e-03  2.8155000000e-03 -7.1290000000e-04 -5.5450000000e-04 -2.1832000000e-03  2.5699000000e-03
-
-JOB 39
-COORDS  1.4217340000e+00 -9.0814800000e-01  4.3909800000e-01  1.8573280000e+00 -8.9802000000e-02  2.0077200000e-01  1.8179930000e+00 -1.1565530000e+00  1.2742660000e+00 -1.4928430000e+00  8.8322700000e-01 -5.5064800000e-01 -1.0607960000e+00  1.7732600000e-01 -6.9741000000e-02 -1.5576720000e+00  1.5993830000e+00  8.1134000000e-02
-ENERGY -1.526577745673e+02
-FORCES  5.9513000000e-03  1.3708000000e-03  1.8265000000e-03 -2.2983000000e-03 -3.6641000000e-03  1.9591000000e-03 -1.8377000000e-03  1.4499000000e-03 -3.6141000000e-03  2.0841000000e-03 -1.8246000000e-03  4.7413000000e-03 -4.4684000000e-03  5.1083000000e-03 -2.4533000000e-03  5.6910000000e-04 -2.4404000000e-03 -2.4594000000e-03
-
-JOB 40
-COORDS  1.6383620000e+00 -5.4550900000e-01 -2.0732200000e-01  1.6735560000e+00 -1.4630360000e+00  6.3117000000e-02  1.9405730000e+00 -5.5124900000e-01 -1.1155440000e+00 -1.7269670000e+00  5.8024100000e-01  2.3580200000e-01 -1.0174300000e+00  1.1406000000e-02  5.3449100000e-01 -1.3068840000e+00  1.4260230000e+00  7.9551000000e-02
-ENERGY -1.526575951005e+02
-FORCES  3.0614000000e-03 -4.0164000000e-03 -4.0855000000e-03 -9.8030000000e-04  4.2377000000e-03 -9.3400000000e-04 -8.3820000000e-04 -1.1360000000e-04  4.1204000000e-03  7.2879000000e-03  8.2640000000e-04  8.2600000000e-05 -5.7878000000e-03  1.3552000000e-03  4.0470000000e-04 -2.7431000000e-03 -2.2894000000e-03  4.1190000000e-04
-
-JOB 41
-COORDS -6.4459500000e-01 -1.6318020000e+00 -3.7290300000e-01  2.4437300000e-01 -1.9532750000e+00 -2.2249400000e-01 -6.4616700000e-01 -1.3495100000e+00 -1.2875290000e+00  6.2918200000e-01  1.6042000000e+00  4.4782100000e-01 -3.2752100000e-01  1.5930690000e+00  4.1905800000e-01  8.8188900000e-01  2.2432930000e+00 -2.1846100000e-01
-ENERGY -1.526550106064e+02
-FORCES  5.5220000000e-03  6.0560000000e-04 -2.4109000000e-03 -4.0377000000e-03 -6.9300000000e-05 -1.1390000000e-03 -7.1300000000e-04 -9.8650000000e-04  3.3946000000e-03 -4.1046000000e-03  1.6720000000e-03 -1.9134000000e-03  4.3161000000e-03  1.8867000000e-03 -1.9750000000e-04 -9.8290000000e-04 -3.1085000000e-03  2.2663000000e-03
-
-JOB 42
-COORDS -1.4562820000e+00  7.4865200000e-01 -6.2317200000e-01 -2.0962770000e+00  3.6729500000e-01 -1.2241750000e+00 -1.9515140000e+00  9.1963600000e-01  1.7791600000e-01  1.5254330000e+00 -7.8306100000e-01  6.6479700000e-01  2.1958450000e+00 -1.6714600000e-01  3.6911600000e-01  7.7090700000e-01 -6.0414000000e-01  1.0362700000e-01
-ENERGY -1.526588210315e+02
-FORCES -6.7292000000e-03  6.4120000000e-04  7.7740000000e-04  2.8605000000e-03  1.5881000000e-03  2.7973000000e-03  1.9570000000e-03 -8.8310000000e-04 -3.9430000000e-03 -2.0229000000e-03  4.2682000000e-03 -4.3253000000e-03 -1.9620000000e-03 -2.4428000000e-03  1.3074000000e-03  5.8966000000e-03 -3.1717000000e-03  3.3862000000e-03
-
-JOB 43
-COORDS  6.0790400000e-01 -7.1001800000e-01  1.5329140000e+00  1.3283480000e+00 -1.3306190000e+00  1.4231490000e+00  1.0076600000e+00  1.4865200000e-01  1.3946660000e+00 -7.3223200000e-01  7.2698200000e-01 -1.5336210000e+00 -1.3367600000e-01  9.6723200000e-01 -8.2634300000e-01 -2.8362000000e-01  2.0374000000e-02 -1.9980390000e+00
-ENERGY -1.526530384878e+02
-FORCES  4.7513000000e-03  4.0000000000e-07  8.7490000000e-04 -3.3253000000e-03  2.8745000000e-03  6.3200000000e-05 -2.5896000000e-03 -3.2430000000e-03 -1.6480000000e-03  3.7819000000e-03 -3.9543000000e-03  2.6275000000e-03 -1.0462000000e-03  1.0184000000e-03 -2.8852000000e-03 -1.5721000000e-03  3.3041000000e-03  9.6750000000e-04
-
-JOB 44
-COORDS  1.7859900000e+00 -5.2170000000e-02  3.5902000000e-01  1.0008700000e+00 -2.1251700000e-01 -1.6453200000e-01  2.4055620000e+00 -7.2401500000e-01  7.4435000000e-02 -1.7381250000e+00  1.2854800000e-01 -3.6343000000e-01 -2.1551430000e+00  5.6449500000e-01  3.7972500000e-01 -1.9081990000e+00 -8.0269700000e-01 -2.2169100000e-01
-ENERGY -1.526574310418e+02
-FORCES -2.1543000000e-03 -2.0244000000e-03 -3.8797000000e-03  6.6198000000e-03 -1.3401000000e-03  2.6313000000e-03 -2.7263000000e-03  2.3191000000e-03  1.1011000000e-03 -4.9240000000e-03 -6.3990000000e-04  4.5586000000e-03  1.1627000000e-03 -2.2738000000e-03 -3.5222000000e-03  2.0222000000e-03  3.9591000000e-03 -8.8920000000e-04
-
-JOB 45
-COORDS  1.0286010000e+00  2.5617500000e-01 -1.4124000000e+00  1.1322370000e+00  7.5177600000e-01 -2.2247240000e+00  1.9153420000e+00 -2.6790000000e-02 -1.1891200000e+00 -1.1333390000e+00 -2.8942300000e-01  1.4713520000e+00 -6.7310400000e-01 -6.4236400000e-01  7.0987400000e-01 -6.0536100000e-01  4.6086200000e-01  1.7443780000e+00
-ENERGY -1.526574446121e+02
-FORCES  4.2034000000e-03  1.7421000000e-03 -4.4868000000e-03  2.6580000000e-04 -2.1668000000e-03  3.4683000000e-03 -4.1997000000e-03  1.1915000000e-03 -4.2910000000e-04  4.5812000000e-03  2.4737000000e-03 -4.3515000000e-03 -2.7015000000e-03 -4.2460000000e-04  5.4676000000e-03 -2.1492000000e-03 -2.8159000000e-03  3.3150000000e-04
-
-JOB 46
-COORDS  1.7041210000e+00  5.4081700000e-01  4.8188700000e-01  9.7384000000e-01  5.3331400000e-01  1.1006480000e+00  2.1647080000e+00 -2.8242500000e-01  6.4425200000e-01 -1.7026750000e+00 -4.4098400000e-01 -4.9981200000e-01 -2.1191160000e+00 -1.2793500000e+00 -2.9993600000e-01 -1.0368910000e+00 -6.5362000000e-01 -1.1538370000e+00
-ENERGY -1.526561137533e+02
-FORCES -2.2038000000e-03 -2.6589000000e-03  4.0213000000e-03  4.8643000000e-03  7.3700000000e-05 -1.8957000000e-03 -1.9795000000e-03  3.0131000000e-03 -1.1295000000e-03  1.0888000000e-03 -3.7622000000e-03 -3.3774000000e-03  2.1342000000e-03  3.4274000000e-03 -4.5510000000e-04 -3.9040000000e-03 -9.3100000000e-05  2.8364000000e-03
-
-JOB 47
-COORDS  1.4789250000e+00  8.9529200000e-01 -5.3365700000e-01  2.3027460000e+00  1.2017130000e+00 -9.1267800000e-01  1.7355080000e+00  1.8862400000e-01  5.8810000000e-02 -1.5197910000e+00 -9.2707800000e-01  5.0751800000e-01 -1.1327420000e+00 -7.3864000000e-02  3.1143000000e-01 -2.3479840000e+00 -7.2100300000e-01  9.4094700000e-01
-ENERGY -1.526571994085e+02
-FORCES  5.7686000000e-03 -1.6513000000e-03 -1.4320000000e-04 -3.0232000000e-03 -1.4503000000e-03  1.7949000000e-03 -1.4604000000e-03  3.8751000000e-03 -2.4587000000e-03 -1.8220000000e-03  5.0531000000e-03 -7.7700000000e-05 -2.6526000000e-03 -5.0224000000e-03  2.5925000000e-03  3.1895000000e-03 -8.0420000000e-04 -1.7076000000e-03
-
-JOB 48
-COORDS  1.3668050000e+00 -6.9293200000e-01  1.0376960000e+00  1.4485450000e+00 -1.6293230000e+00  1.2185840000e+00  6.6945100000e-01 -3.9559400000e-01  1.6220920000e+00 -1.3675760000e+00  6.9824300000e-01 -1.1372270000e+00 -1.7737420000e+00  9.5120800000e-01 -3.0821000000e-01 -4.3146500000e-01  8.4349700000e-01 -1.0000080000e+00
-ENERGY -1.526553943337e+02
-FORCES -2.1430000000e-03 -4.4424000000e-03  3.4033000000e-03 -1.3240000000e-04  4.0615000000e-03 -2.3520000000e-04  2.5784000000e-03 -2.5590000000e-04 -3.0166000000e-03  3.6204000000e-03  1.0415000000e-03  3.5616000000e-03  1.5492000000e-03 -1.2492000000e-03 -2.7204000000e-03 -5.4727000000e-03  8.4450000000e-04 -9.9270000000e-04
-
-JOB 49
-COORDS  1.6025670000e+00 -1.0713300000e+00  2.0910500000e-01  1.5261610000e+00 -8.6419300000e-01 -7.2228500000e-01  7.0476400000e-01 -1.0303640000e+00  5.3850400000e-01 -1.5406210000e+00  1.0528410000e+00 -2.3434400000e-01 -2.3575370000e+00  1.2629010000e+00  2.1815400000e-01 -9.0212300000e-01  9.2938500000e-01  4.6801700000e-01
-ENERGY -1.526549319875e+02
-FORCES -4.0339000000e-03 -2.5820000000e-04 -4.0472000000e-03  1.0465000000e-03 -9.3230000000e-04  4.3825000000e-03  3.7835000000e-03  1.7074000000e-03  1.3720000000e-04 -1.7388000000e-03  2.2798000000e-03  4.8384000000e-03  3.6659000000e-03 -9.6710000000e-04 -1.8792000000e-03 -2.7231000000e-03 -1.8295000000e-03 -3.4317000000e-03
-
-JOB 50
-COORDS  9.1592900000e-01  1.2841730000e+00  1.1967690000e+00  3.8220700000e-01  6.6419400000e-01  1.6937590000e+00  8.4028900000e-01  9.9171000000e-01  2.8848700000e-01 -8.9197100000e-01 -1.2514980000e+00 -1.1166500000e+00 -8.3435000000e-02 -1.3726830000e+00 -1.6144600000e+00 -1.4547870000e+00 -7.3640600000e-01 -1.6947060000e+00
-ENERGY -1.526563276692e+02
-FORCES -3.7993000000e-03 -5.0456000000e-03 -1.9695000000e-03  2.6902000000e-03  3.2143000000e-03 -8.1370000000e-04  1.9302000000e-03  2.5025000000e-03  3.0014000000e-03 -5.3710000000e-04 -2.9810000000e-04 -5.7704000000e-03 -3.2277000000e-03  1.6329000000e-03  2.8526000000e-03  2.9437000000e-03 -2.0060000000e-03  2.6994000000e-03
-
-JOB 51
-COORDS  1.3142440000e+00  7.2871800000e-01  1.3040310000e+00  8.1233400000e-01 -7.3789000000e-02  1.4465110000e+00  7.9913100000e-01  1.4130070000e+00  1.7313950000e+00 -1.2469850000e+00 -7.9386500000e-01 -1.3293480000e+00 -2.0285810000e+00 -2.7203300000e-01 -1.1476060000e+00 -5.9940300000e-01 -1.5810500000e-01 -1.6337800000e+00
-ENERGY -1.526559662216e+02
-FORCES -4.1312000000e-03 -1.4492000000e-03  2.8857000000e-03  2.6789000000e-03  4.1491000000e-03  6.5800000000e-05  1.9369000000e-03 -2.5710000000e-03 -2.0560000000e-03 -8.9700000000e-05  5.0815000000e-03 -1.5667000000e-03  3.1876000000e-03 -2.1702000000e-03 -2.8040000000e-04 -3.5825000000e-03 -3.0403000000e-03  9.5160000000e-04
-
-JOB 52
-COORDS -2.8355500000e-01  1.7368310000e+00  9.7746200000e-01  4.3715600000e-01  1.3387450000e+00  1.4656580000e+00  1.2660600000e-01  2.4414860000e+00  4.7600300000e-01  2.7607300000e-01 -1.7760690000e+00 -9.6410600000e-01  6.0487000000e-02 -1.1253650000e+00 -1.6321920000e+00 -5.6290300000e-01 -1.9857490000e+00 -5.5375800000e-01
-ENERGY -1.526554017883e+02
-FORCES  5.2853000000e-03  8.1570000000e-04  3.1890000000e-04 -3.2126000000e-03  2.3461000000e-03 -1.5941000000e-03 -1.8189000000e-03 -2.8818000000e-03  1.7558000000e-03 -5.1267000000e-03  2.8126000000e-03 -6.1870000000e-04  1.3353000000e-03 -3.0952000000e-03  1.9417000000e-03  3.5375000000e-03  2.5000000000e-06 -1.8037000000e-03
-
-JOB 53
-COORDS  1.5509770000e+00  8.5164200000e-01 -1.1474650000e+00  2.1690910000e+00  1.4188600000e-01 -9.7306900000e-01  7.8469700000e-01  6.3884500000e-01 -6.1477100000e-01 -1.4781590000e+00 -7.9885000000e-01  1.1019880000e+00 -1.9954270000e+00 -6.7777000000e-01  1.8982330000e+00 -2.1263860000e+00 -9.6581800000e-01  4.1776900000e-01
-ENERGY -1.526570053719e+02
-FORCES -1.2683000000e-03 -4.1123000000e-03  3.9853000000e-03 -1.9485000000e-03  2.8301000000e-03 -1.0683000000e-03  4.0954000000e-03  1.7909000000e-03 -3.9161000000e-03 -5.8586000000e-03 -7.2710000000e-04  1.6437000000e-03  1.9029000000e-03 -7.4880000000e-04 -3.4872000000e-03  3.0771000000e-03  9.6720000000e-04  2.8426000000e-03
-
-JOB 54
-COORDS -1.2860780000e+00  8.4937400000e-01 -1.4849010000e+00 -3.5670600000e-01  6.4203600000e-01 -1.5824170000e+00 -1.5620510000e+00  3.5676400000e-01 -7.1198000000e-01  1.1865490000e+00 -8.0875600000e-01  1.4380450000e+00  1.7243890000e+00 -1.5216850000e+00  1.7825630000e+00  1.8127390000e+00 -1.1643900000e-01  1.2263480000e+00
-ENERGY -1.526559210918e+02
-FORCES  2.8511000000e-03 -3.8142000000e-03  3.6632000000e-03 -3.3428000000e-03  1.6781000000e-03 -3.7590000000e-04  1.4270000000e-04  2.5792000000e-03 -3.8164000000e-03  5.3907000000e-03 -5.5290000000e-04  1.8097000000e-03 -2.1275000000e-03  3.1441000000e-03 -1.4704000000e-03 -2.9142000000e-03 -3.0342000000e-03  1.8980000000e-04
-
-JOB 55
-COORDS  8.8331800000e-01  1.8241910000e+00  3.6071500000e-01  3.1174900000e-01  2.3035740000e+00  9.6049300000e-01  1.6311130000e+00  1.5637570000e+00  8.9849600000e-01 -9.4815100000e-01 -1.8722590000e+00 -4.1978000000e-01 -3.0446500000e-01 -1.9151910000e+00  2.8736700000e-01 -6.0605000000e-01 -1.2057440000e+00 -1.0155630000e+00
-ENERGY -1.526556975528e+02
-FORCES  6.2550000000e-04  2.2691000000e-03  5.0104000000e-03  2.7021000000e-03 -2.0362000000e-03 -2.4556000000e-03 -3.3281000000e-03  4.7980000000e-04 -2.3435000000e-03  4.3957000000e-03  3.9472000000e-03  3.5330000000e-04 -2.5416000000e-03 -6.6500000000e-04 -2.3465000000e-03 -1.8536000000e-03 -3.9948000000e-03  1.7819000000e-03
-
-JOB 56
-COORDS  1.9307380000e+00  2.8834100000e-01  8.9858400000e-01  2.2704840000e+00 -4.1478700000e-01  3.4503600000e-01  1.1581910000e+00  6.0844000000e-01  4.3281700000e-01 -1.9157270000e+00 -3.2213900000e-01 -8.0756000000e-01 -1.0918350000e+00  1.2488500000e-01 -1.0014750000e+00 -2.5863230000e+00  2.1931900000e-01 -1.2239210000e+00
-ENERGY -1.526526230591e+02
-FORCES -1.7791000000e-03 -2.2337000000e-03 -3.2726000000e-03 -1.4955000000e-03  3.3804000000e-03  2.0760000000e-03  2.8543000000e-03 -1.0891000000e-03  4.7530000000e-04 -6.3310000000e-04  4.0938000000e-03 -2.9981000000e-03 -1.9305000000e-03 -1.6950000000e-03  1.9035000000e-03  2.9839000000e-03 -2.4563000000e-03  1.8159000000e-03
-
-JOB 57
-COORDS  1.3904730000e+00  1.1849700000e+00 -1.0353200000e+00  1.9912490000e+00  1.5652310000e+00 -1.6761810000e+00  1.9372120000e+00  1.0066620000e+00 -2.7013100000e-01 -1.4261280000e+00 -1.2302740000e+00  1.0745130000e+00 -2.3249190000e+00 -9.0114600000e-01  1.0835150000e+00 -1.0914840000e+00 -9.9073500000e-01  2.1029900000e-01
-ENERGY -1.526560942182e+02
-FORCES  5.2821000000e-03  1.3631000000e-03  5.9120000000e-04 -2.3751000000e-03 -1.5098000000e-03  2.7262000000e-03 -2.2244000000e-03  7.1860000000e-04 -3.6130000000e-03 -2.0035000000e-03  2.9228000000e-03 -4.1163000000e-03  3.3461000000e-03 -1.4844000000e-03  1.1860000000e-04 -2.0252000000e-03 -2.0103000000e-03  4.2933000000e-03
-
-JOB 58
-COORDS  1.6871720000e+00 -1.3463250000e+00  3.7241300000e-01  2.3683010000e+00 -7.5618100000e-01  6.9494000000e-01  9.3788600000e-01 -7.7630400000e-01  1.9955800000e-01 -1.7134830000e+00  1.2355280000e+00 -4.2510000000e-01 -1.9073050000e+00  1.4138720000e+00  4.9514900000e-01 -1.0066280000e+00  1.8428740000e+00 -6.4354900000e-01
-ENERGY -1.526550001748e+02
-FORCES -1.0580000000e-03  4.3129000000e-03  1.4050000000e-04 -2.8563000000e-03 -2.1114000000e-03 -1.2789000000e-03  4.7259000000e-03 -2.2623000000e-03  1.4216000000e-03 -2.1200000000e-05  4.6010000000e-03  2.3353000000e-03  1.5214000000e-03 -1.0421000000e-03 -4.0396000000e-03 -2.3119000000e-03 -3.4980000000e-03  1.4211000000e-03
-
-JOB 59
-COORDS  1.8828930000e+00 -3.9091500000e-01 -1.0642280000e+00  1.3466640000e+00 -7.9142300000e-01 -1.7485410000e+00  1.9836780000e+00 -1.0779600000e+00 -4.0540800000e-01 -1.8619980000e+00  4.5949700000e-01  1.1366580000e+00 -2.5168170000e+00 -6.2146000000e-02  6.7261900000e-01 -1.2018600000e+00  6.6113100000e-01  4.7348900000e-01
-ENERGY -1.526551844008e+02
-FORCES -1.3960000000e-04 -5.1783000000e-03 -2.6430000000e-04  1.5422000000e-03  2.1030000000e-03  3.2086000000e-03 -6.9280000000e-04  3.0426000000e-03 -3.0760000000e-03  5.0240000000e-04 -5.6530000000e-04 -4.6507000000e-03  2.7534000000e-03  1.8500000000e-03  1.7911000000e-03 -3.9656000000e-03 -1.2520000000e-03  2.9913000000e-03
-
-JOB 60
-COORDS -9.6292400000e-01 -2.0383360000e+00  3.3880800000e-01 -9.7025900000e-01 -1.2937630000e+00  9.4029700000e-01 -1.0266500000e+00 -1.6445700000e+00 -5.3131800000e-01  9.3991300000e-01  1.9358590000e+00 -2.5971600000e-01  1.2182700000e+00  1.5219540000e+00 -1.0766810000e+00  1.0925540000e+00  2.8703440000e+00 -3.9997100000e-01
-ENERGY -1.526552726771e+02
-FORCES -9.6200000000e-05  5.5256000000e-03 -6.5120000000e-04 -4.7210000000e-04 -3.9109000000e-03 -2.2677000000e-03  3.5230000000e-04 -2.0443000000e-03  2.9315000000e-03  2.5926000000e-03  2.8420000000e-03 -3.8152000000e-03 -1.7615000000e-03  1.5292000000e-03  3.3345000000e-03 -6.1510000000e-04 -3.9417000000e-03  4.6810000000e-04
-
-JOB 61
-COORDS -3.8015400000e-01 -2.0130680000e+00  9.6602600000e-01 -8.9791900000e-01 -2.5454590000e+00  3.6211400000e-01 -1.2719200000e-01 -1.2456040000e+00  4.5295500000e-01  3.8987500000e-01  1.9921730000e+00 -8.3203800000e-01  9.6190600000e-01  1.5098190000e+00 -1.4289860000e+00 -7.5809000000e-02  2.6115510000e+00 -1.3939460000e+00
-ENERGY -1.526550285240e+02
-FORCES -1.3468000000e-03  2.0287000000e-03 -4.2152000000e-03  2.1527000000e-03  1.9780000000e-03  2.2949000000e-03 -5.8230000000e-04 -4.7252000000e-03  1.7554000000e-03  6.3180000000e-04  2.2974000000e-03 -4.9486000000e-03 -2.9634000000e-03  1.1337000000e-03  2.8756000000e-03  2.1079000000e-03 -2.7127000000e-03  2.2379000000e-03
-
-JOB 62
-COORDS  1.7640980000e+00 -1.3775360000e+00 -5.5179100000e-01  1.0232560000e+00 -8.2787900000e-01 -8.0725600000e-01  2.0616700000e+00 -1.0080030000e+00  2.7955000000e-01 -1.7149580000e+00  1.3529720000e+00  4.6115700000e-01 -1.7147010000e+00  1.6709950000e+00  1.3639820000e+00 -2.1455560000e+00  4.9935200000e-01  5.0752800000e-01
-ENERGY -1.526554922803e+02
-FORCES -1.8934000000e-03  4.6965000000e-03  2.0988000000e-03  3.2188000000e-03 -3.3987000000e-03  8.7690000000e-04 -9.7020000000e-04 -1.9052000000e-03 -3.0634000000e-03 -3.0854000000e-03 -1.3829000000e-03  4.2962000000e-03  1.9140000000e-04 -1.4987000000e-03 -3.8177000000e-03  2.5388000000e-03  3.4890000000e-03 -3.9090000000e-04
-
-JOB 63
-COORDS -1.7186000000e-02 -1.4582300000e-01 -2.2554270000e+00  7.2722700000e-01  6.9442000000e-02 -2.8173360000e+00  3.6771200000e-01 -2.8555000000e-01 -1.3902330000e+00 -3.7664000000e-02  1.9520700000e-01  2.2443610000e+00 -8.7940500000e-01 -2.5909900000e-01  2.2805550000e+00  6.0910500000e-01 -5.0466200000e-01  2.1543410000e+00
-ENERGY -1.526545390471e+02
-FORCES  4.5360000000e-03  1.1952000000e-03  1.6352000000e-03 -2.9717000000e-03 -1.0407000000e-03  2.2234000000e-03 -1.3253000000e-03 -5.6410000000e-04 -4.1227000000e-03 -1.5590000000e-03 -4.5128000000e-03  1.1761000000e-03  3.8925000000e-03  1.8060000000e-03 -2.3290000000e-04 -2.5725000000e-03  3.1164000000e-03 -6.7910000000e-04
-
-JOB 64
-COORDS  1.3794780000e+00  1.1960200000e-01 -1.8588710000e+00  6.4468500000e-01 -4.2778200000e-01 -1.5819550000e+00  1.1981770000e+00  9.7719100000e-01 -1.4742910000e+00 -1.3638790000e+00 -9.9089000000e-02  1.8689440000e+00 -7.4312700000e-01 -8.0108000000e-01  2.0641560000e+00 -1.3790950000e+00 -5.1122000000e-02  9.1306800000e-01
-ENERGY -1.526531602790e+02
-FORCES -3.1619000000e-03  1.7259000000e-03  2.0968000000e-03  2.5898000000e-03  2.3392000000e-03 -3.2700000000e-04  4.1380000000e-04 -4.0968000000e-03 -1.5967000000e-03  2.1550000000e-03 -3.0280000000e-03 -2.2635000000e-03 -2.7601000000e-03  3.1237000000e-03 -1.2181000000e-03  7.6330000000e-04 -6.3900000000e-05  3.3086000000e-03
-
-JOB 65
-COORDS -7.0325800000e-01  1.0374450000e+00 -1.8465010000e+00 -8.8750100000e-01  1.5365670000e+00 -2.6422170000e+00 -1.2090300000e+00  1.4785880000e+00 -1.1639910000e+00  7.2662300000e-01 -1.0245450000e+00  1.8384710000e+00  1.4458250000e+00 -1.5819620000e+00  1.5413740000e+00  2.0804300000e-01 -1.5877560000e+00  2.4130150000e+00
-ENERGY -1.526539494630e+02
-FORCES -2.6684000000e-03  3.7760000000e-03  4.9910000000e-04  8.3130000000e-04 -2.1410000000e-03  3.1666000000e-03  1.5943000000e-03 -1.4245000000e-03 -3.4629000000e-03  1.0508000000e-03 -4.7768000000e-03  2.5610000000e-04 -2.7977000000e-03  2.1096000000e-03  1.7608000000e-03  1.9897000000e-03  2.4567000000e-03 -2.2197000000e-03
-
-JOB 66
-COORDS -1.1032840000e+00 -4.1816000000e-01 -1.8659240000e+00 -1.7187940000e+00 -1.0049350000e+00 -2.3053270000e+00 -6.0591700000e-01 -1.5382000000e-02 -2.5777020000e+00  1.1022890000e+00  4.0418500000e-01  1.8848980000e+00  1.3678080000e+00 -5.0200000000e-04  2.7107060000e+00  1.0534460000e+00  1.3398200000e+00  2.0809390000e+00
-ENERGY -1.526529039861e+02
-FORCES  6.5200000000e-05 -8.3500000000e-04 -4.3739000000e-03  2.4493000000e-03  2.3962000000e-03  1.8716000000e-03 -2.2617000000e-03 -1.5283000000e-03  2.7337000000e-03  2.9980000000e-04  2.1287000000e-03  3.9086000000e-03 -1.0249000000e-03  1.5991000000e-03 -3.3988000000e-03  4.7240000000e-04 -3.7607000000e-03 -7.4110000000e-04
-
-JOB 67
-COORDS -8.6824500000e-01  1.6179060000e+00  1.3526220000e+00 -1.6711140000e+00  1.2587170000e+00  9.7497500000e-01 -6.2908200000e-01  2.3372890000e+00  7.6822400000e-01  9.4716500000e-01 -1.6488960000e+00 -1.3412230000e+00  6.5367100000e-01 -7.8099100000e-01 -1.0640320000e+00  3.2952100000e-01 -2.2537130000e+00 -9.3019500000e-01
-ENERGY -1.526546718524e+02
-FORCES -2.9697000000e-03  2.8868000000e-03 -2.7563000000e-03  3.9923000000e-03  8.9080000000e-04  1.1323000000e-03 -8.8780000000e-04 -3.6301000000e-03  2.1611000000e-03 -3.3114000000e-03  1.2240000000e-03  3.7961000000e-03  9.1900000000e-04 -3.6882000000e-03 -2.3165000000e-03  2.2575000000e-03  2.3166000000e-03 -2.0166000000e-03
-
-JOB 68
-COORDS -7.5365000000e-01  1.7269440000e+00 -1.3304610000e+00 -1.3434500000e+00  2.0782350000e+00 -1.9975160000e+00 -1.3276540000e+00  1.2550700000e+00 -7.2706500000e-01  8.6835700000e-01 -1.7032940000e+00  1.3707400000e+00  6.3786300000e-01 -2.5701860000e+00  1.0366710000e+00  1.4009000000e-01 -1.1420700000e+00  1.1044940000e+00
-ENERGY -1.526532331159e+02
-FORCES -4.8940000000e-03  2.9530000000e-04 -7.4750000000e-04  2.5018000000e-03 -1.5221000000e-03  2.8387000000e-03  2.8248000000e-03  1.0171000000e-03 -2.0341000000e-03 -3.3955000000e-03 -1.0128000000e-03 -2.9865000000e-03  8.1610000000e-04  3.5431000000e-03  1.5178000000e-03  2.1469000000e-03 -2.3206000000e-03  1.4116000000e-03
-
-JOB 69
-COORDS  1.0519860000e+00  1.0913500000e+00 -1.9265260000e+00  1.8795870000e+00  6.1520600000e-01 -1.8587340000e+00  5.1432500000e-01  5.5616600000e-01 -2.5102470000e+00 -1.1149030000e+00 -1.0239990000e+00  1.9025640000e+00 -1.2974590000e+00 -1.4547690000e+00  2.7376340000e+00 -1.7104900000e-01 -8.6525700000e-01  1.9157030000e+00
-ENERGY -1.526541366335e+02
-FORCES  5.9840000000e-04 -4.1378000000e-03 -2.4028000000e-03 -3.3124000000e-03  1.9085000000e-03  8.3200000000e-05  2.5613000000e-03  2.2770000000e-03  2.1826000000e-03  3.2242000000e-03 -4.8850000000e-04  3.3641000000e-03  7.4030000000e-04  1.7006000000e-03 -3.4453000000e-03 -3.8117000000e-03 -1.2599000000e-03  2.1830000000e-04
-
-JOB 70
-COORDS  1.0385040000e+00  5.5147100000e-01  2.1960210000e+00  1.7379040000e+00  1.2047020000e+00  2.2150060000e+00  3.7451700000e-01  9.2752200000e-01  1.6181470000e+00 -1.0229170000e+00 -5.6438500000e-01 -2.2098390000e+00 -4.5511200000e-01 -1.1496620000e+00 -1.7085610000e+00 -1.9078430000e+00 -7.7553000000e-01 -1.9122570000e+00
-ENERGY -1.526550285107e+02
-FORCES  2.7780000000e-04  4.6825000000e-03 -2.2718000000e-03 -2.8302000000e-03 -2.7025000000e-03  2.4100000000e-05  2.6914000000e-03 -1.9584000000e-03  2.6386000000e-03 -1.2532000000e-03 -3.9530000000e-03  2.8086000000e-03 -2.5461000000e-03  2.7946000000e-03 -2.1242000000e-03  3.6604000000e-03  1.1368000000e-03 -1.0752000000e-03
-
-JOB 71
-COORDS -2.2556720000e+00 -1.1462240000e+00  2.8479400000e-01 -1.5174350000e+00 -7.5106700000e-01  7.4857000000e-01 -2.2111420000e+00 -7.7605000000e-01 -5.9680800000e-01  2.1597270000e+00  1.0960850000e+00 -2.2422200000e-01  2.7661800000e+00  4.1301600000e-01 -5.1034000000e-01  2.5525410000e+00  1.9115550000e+00 -5.3557200000e-01
-ENERGY -1.526554617866e+02
-FORCES  3.7926000000e-03  3.6189000000e-03 -1.6425000000e-03 -3.6000000000e-03 -2.1214000000e-03 -1.6071000000e-03 -6.2320000000e-04 -1.7434000000e-03  3.2957000000e-03  4.6986000000e-03  8.3680000000e-04 -2.3925000000e-03 -2.6605000000e-03  2.8486000000e-03  1.1419000000e-03 -1.6075000000e-03 -3.4394000000e-03  1.2045000000e-03
-
-JOB 72
-COORDS  2.4317870000e+00  4.1607000000e-01  4.4607900000e-01  3.0549850000e+00 -1.4477700000e-01  9.0793200000e-01  1.6811970000e+00  4.7810900000e-01  1.0368400000e+00 -2.4646060000e+00 -4.3460300000e-01 -4.6995100000e-01 -1.6230700000e+00 -5.6761500000e-01 -9.0625000000e-01 -2.6676330000e+00  4.8923700000e-01 -6.1668700000e-01
-ENERGY -1.526549865301e+02
-FORCES -5.2900000000e-05 -2.0471000000e-03  4.7823000000e-03 -2.5583000000e-03  2.3342000000e-03 -1.9193000000e-03  3.0097000000e-03 -2.0550000000e-04 -2.9181000000e-03  2.4641000000e-03  3.1251000000e-03 -3.0709000000e-03 -3.7065000000e-03  5.4900000000e-04  2.2644000000e-03  8.4380000000e-04 -3.7557000000e-03  8.6160000000e-04
-
-JOB 73
-COORDS  1.0648960000e+00  7.3481800000e-01  2.1581920000e+00  8.5554300000e-01  1.4393250000e+00  2.7714410000e+00  7.6608500000e-01  1.0593890000e+00  1.3087240000e+00 -1.0917380000e+00 -7.7935100000e-01 -2.1054940000e+00 -6.4655000000e-01 -1.0853000000e-01 -2.6232170000e+00 -6.0375700000e-01 -1.5832790000e+00 -2.2838370000e+00
-ENERGY -1.526544485826e+02
-FORCES -2.7186000000e-03  3.8827000000e-03 -1.1671000000e-03  9.6140000000e-04 -2.7807000000e-03 -2.4436000000e-03  1.9095000000e-03 -8.3940000000e-04  3.6387000000e-03  3.6429000000e-03 -1.2996000000e-03 -3.1214000000e-03 -1.7414000000e-03 -2.4460000000e-03  2.5484000000e-03 -2.0538000000e-03  3.4828000000e-03  5.4510000000e-04
-
-JOB 74
-COORDS  1.4573920000e+00 -9.1721000000e-02  2.0606870000e+00  1.6354140000e+00  5.5595100000e-01  1.3787320000e+00  2.0415080000e+00 -8.2201100000e-01  1.8564400000e+00 -1.5671710000e+00  1.2869700000e-01 -2.0058870000e+00 -1.3302950000e+00 -7.9494300000e-01 -1.9221560000e+00 -7.4952000000e-01  5.6547400000e-01 -2.2444320000e+00
-ENERGY -1.526535574290e+02
-FORCES  2.9964000000e-03 -5.1400000000e-05 -3.2412000000e-03 -5.5240000000e-04 -2.8569000000e-03  2.5309000000e-03 -2.5272000000e-03  2.9654000000e-03  5.9870000000e-04  3.9690000000e-03 -2.1976000000e-03 -3.5960000000e-04 -8.0940000000e-04  3.8512000000e-03 -6.4190000000e-04 -3.0765000000e-03 -1.7107000000e-03  1.1131000000e-03
-
-JOB 75
-COORDS  1.4973230000e+00 -1.8851880000e+00  8.4805800000e-01  1.1127890000e+00 -1.0110630000e+00  7.8269400000e-01  2.3644990000e+00 -1.7382630000e+00  1.2257480000e+00 -1.5367970000e+00  1.8293090000e+00 -7.9926300000e-01 -1.7961070000e+00  1.1294320000e+00 -1.3985640000e+00 -1.0913160000e+00  2.4685700000e+00 -1.3552530000e+00
-ENERGY -1.526551048591e+02
-FORCES  1.6214000000e-03  4.4702000000e-03  1.5529000000e-03  2.0879000000e-03 -4.1422000000e-03  1.0380000000e-04 -3.3813000000e-03 -6.4010000000e-04 -1.5773000000e-03 -3.6900000000e-05  9.2100000000e-05 -5.1608000000e-03  1.3606000000e-03  2.9603000000e-03  2.6496000000e-03 -1.6516000000e-03 -2.7403000000e-03  2.4317000000e-03
-
-JOB 76
-COORDS -5.4840000000e-01  6.6108700000e-01 -2.3750500000e+00 -1.2170280000e+00  3.1146000000e-02 -2.1060850000e+00 -1.0354720000e+00  1.3491490000e+00 -2.8284420000e+00  6.2231400000e-01 -6.0280900000e-01  2.3844570000e+00  8.8065400000e-01 -1.2001530000e+00  1.6825510000e+00  2.9708700000e-01 -1.1752970000e+00  3.0792350000e+00
-ENERGY -1.526539916387e+02
-FORCES -4.8435000000e-03  7.4100000000e-04 -3.7810000000e-04  2.8639000000e-03  2.2234000000e-03 -1.2712000000e-03  1.9525000000e-03 -2.8920000000e-03  1.6764000000e-03  1.6260000000e-04 -4.5588000000e-03 -3.5670000000e-04 -1.3209000000e-03  2.1205000000e-03  3.2059000000e-03  1.1854000000e-03  2.3659000000e-03 -2.8763000000e-03
-
-JOB 77
-COORDS  6.5734300000e-01  2.0885330000e+00 -1.3243870000e+00  1.1925260000e+00  2.8283790000e+00 -1.6115060000e+00 -1.9188000000e-01  2.2299780000e+00 -1.7427730000e+00 -6.4947400000e-01 -2.1943490000e+00  1.3731140000e+00 -2.0333700000e-01 -1.6040780000e+00  1.9803810000e+00 -8.2955600000e-01 -1.6551370000e+00  6.0301500000e-01
-ENERGY -1.526549608463e+02
-FORCES -8.4560000000e-04  4.0457000000e-03 -3.2182000000e-03 -2.3142000000e-03 -2.9901000000e-03  1.1568000000e-03  3.3929000000e-03 -8.6830000000e-04  1.9382000000e-03  1.6326000000e-03  5.0544000000e-03 -9.7310000000e-04 -1.9785000000e-03 -2.6609000000e-03 -2.0552000000e-03  1.1270000000e-04 -2.5807000000e-03  3.1514000000e-03
-
-JOB 78
-COORDS  2.1602490000e+00  1.2596670000e+00  9.7833900000e-01  1.6751060000e+00  1.8243130000e+00  3.7663800000e-01  2.5822450000e+00  6.1283300000e-01  4.1286800000e-01 -2.1170770000e+00 -1.3015910000e+00 -9.3611700000e-01 -2.2890430000e+00 -1.1220990000e+00 -1.1756000000e-02 -2.6451920000e+00 -6.5760400000e-01 -1.4079290000e+00
-ENERGY -1.526545552768e+02
-FORCES -2.5570000000e-04 -7.0510000000e-04 -5.0544000000e-03  1.8864000000e-03 -2.0359000000e-03  2.6069000000e-03 -1.4780000000e-03  2.8346000000e-03  2.4359000000e-03 -3.0756000000e-03  3.1024000000e-03  2.1799000000e-03  5.8150000000e-04 -6.9520000000e-04 -4.0224000000e-03  2.3414000000e-03 -2.5007000000e-03  1.8541000000e-03
-
-JOB 79
-COORDS -2.6423000000e-01  1.3098340000e+00 -2.2667190000e+00  2.2425300000e-01  2.0649090000e+00 -1.9388800000e+00 -1.0390020000e+00  1.6875660000e+00 -2.6829870000e+00  2.8809400000e-01 -1.3211500000e+00  2.2362050000e+00  1.8663700000e-01 -2.2474690000e+00  2.0174100000e+00  2.7940400000e-01 -1.2982250000e+00  3.1930910000e+00
-ENERGY -1.526536608311e+02
-FORCES -1.0758000000e-03  4.5294000000e-03  3.4800000000e-04 -1.9927000000e-03 -2.8606000000e-03 -1.7366000000e-03  3.1190000000e-03 -1.5706000000e-03  1.5539000000e-03 -5.4870000000e-04 -3.8432000000e-03  2.5166000000e-03  4.5100000000e-04  3.7017000000e-03  1.2052000000e-03  4.7300000000e-05  4.3400000000e-05 -3.8871000000e-03
-
-JOB 80
-COORDS -5.8780800000e-01  2.5008060000e+00 -7.6266200000e-01 -3.5879400000e-01  2.8714890000e+00 -1.6149400000e+00 -1.6674600000e-01  3.0804520000e+00 -1.2788000000e-01  5.5949700000e-01 -2.6046490000e+00  7.3932700000e-01  2.1670900000e-01 -1.7479660000e+00  4.8472400000e-01  7.4735000000e-01 -2.5198240000e+00  1.6740720000e+00
-ENERGY -1.526549663148e+02
-FORCES  2.4958000000e-03  4.3629000000e-03 -1.3036000000e-03 -9.1550000000e-04 -1.4772000000e-03  3.6146000000e-03 -1.6798000000e-03 -2.6047000000e-03 -2.4904000000e-03 -9.3650000000e-04  4.2165000000e-03  2.4746000000e-03  1.6742000000e-03 -4.0727000000e-03  1.3442000000e-03 -6.3820000000e-04 -4.2490000000e-04 -3.6393000000e-03
-
-JOB 81
-COORDS  1.3965470000e+00  1.7136750000e+00  1.8408940000e+00  6.5891100000e-01  1.6055150000e+00  2.4412480000e+00  1.4838450000e+00  8.6233300000e-01  1.4121420000e+00 -1.3121960000e+00 -1.6733610000e+00 -1.8838910000e+00 -1.4109500000e+00 -1.8511650000e+00 -9.4854800000e-01 -2.1678170000e+00 -1.3422750000e+00 -2.1568860000e+00
-ENERGY -1.526539080113e+02
-FORCES -2.4203000000e-03 -3.8567000000e-03  4.0960000000e-04  2.8870000000e-03  3.4490000000e-04 -2.4678000000e-03 -5.2200000000e-04  3.4370000000e-03  2.1201000000e-03 -4.2186000000e-03  5.9270000000e-04  2.2723000000e-03  7.3520000000e-04  9.2440000000e-04 -3.5645000000e-03  3.5387000000e-03 -1.4422000000e-03  1.2303000000e-03
-
-JOB 82
-COORDS  5.8877300000e-01  2.0165600000e-01 -2.8985200000e+00 -5.0981000000e-02 -1.5559000000e-02 -2.2204620000e+00  2.1445100000e-01  9.5951600000e-01 -3.3477020000e+00 -6.0144400000e-01 -2.5463700000e-01  2.9011340000e+00  1.8333800000e-01 -7.6298900000e-01  2.6963680000e+00 -3.0269400000e-01  6.5470000000e-01  2.9104420000e+00
-ENERGY -1.526545274883e+02
-FORCES -4.4001000000e-03  2.0856000000e-03  7.6780000000e-04  2.9000000000e-03  9.7490000000e-04 -2.7790000000e-03  1.5962000000e-03 -3.0326000000e-03  1.8604000000e-03  4.6630000000e-03  1.5623000000e-03 -3.1060000000e-04 -3.3899000000e-03  2.1239000000e-03  6.8570000000e-04 -1.3691000000e-03 -3.7140000000e-03 -2.2430000000e-04
-
-JOB 83
-COORDS  2.8184300000e+00 -1.4058240000e+00 -3.5341100000e-01  2.4639630000e+00 -6.0543200000e-01  3.3834000000e-02  3.6232310000e+00 -1.5736150000e+00  1.3686800000e-01 -2.8887840000e+00  1.3377210000e+00  2.6884500000e-01 -1.9986680000e+00  1.5205230000e+00 -3.2000000000e-02 -2.9275550000e+00  1.7157260000e+00  1.1473900000e+00
-ENERGY -1.526536816557e+02
-FORCES  1.9517000000e-03  2.3463000000e-03  3.6092000000e-03  1.2761000000e-03 -3.0558000000e-03 -1.6185000000e-03 -3.3329000000e-03  7.4590000000e-04 -2.0144000000e-03  3.3158000000e-03  2.2075000000e-03  2.2141000000e-03 -3.4781000000e-03 -6.9280000000e-04  1.4045000000e-03  2.6740000000e-04 -1.5510000000e-03 -3.5948000000e-03
-
-JOB 84
-COORDS  5.6614200000e-01  1.3066080000e+00  2.8193010000e+00  1.1052560000e+00  1.9679160000e+00  2.3854130000e+00  3.7780200000e-01  1.6782050000e+00  3.6810880000e+00 -5.9175000000e-01 -1.3372710000e+00 -2.8075200000e+00 -1.1986570000e+00 -1.5439750000e+00 -3.5182730000e+00  1.9138500000e-01 -1.8516080000e+00 -3.0034520000e+00
-ENERGY -1.526537134021e+02
-FORCES  1.2939000000e-03  4.2087000000e-03  1.4158000000e-03 -2.0792000000e-03 -2.6524000000e-03  1.9580000000e-03  7.7670000000e-04 -1.5445000000e-03 -3.4629000000e-03  7.1560000000e-04 -3.0353000000e-03 -3.4357000000e-03  2.4734000000e-03  8.8290000000e-04  2.8610000000e-03 -3.1803000000e-03  2.1406000000e-03  6.6380000000e-04
-
-JOB 85
-COORDS  2.0787600000e-01 -1.1700190000e+00  3.1951850000e+00  3.9187300000e-01 -1.8209050000e+00  3.8724770000e+00  1.0298290000e+00 -1.0879860000e+00  2.7115570000e+00 -3.2361300000e-01  1.1827400000e+00 -3.2137230000e+00 -7.0456000000e-02  1.7855680000e+00 -2.5146220000e+00  4.9902000000e-01  9.6381100000e-01 -3.6514190000e+00
-ENERGY -1.526539172847e+02
-FORCES  3.9854000000e-03 -2.4871000000e-03  7.5700000000e-04 -7.1680000000e-04  2.6913000000e-03 -2.7569000000e-03 -3.2833000000e-03 -1.9840000000e-04  1.9670000000e-03  4.2136000000e-03  1.5987000000e-03  1.1765000000e-03 -8.9220000000e-04 -2.4630000000e-03 -2.9513000000e-03 -3.3067000000e-03  8.5850000000e-04  1.8077000000e-03
-
-JOB 86
-COORDS -1.0529000000e-01 -1.4185290000e+00  3.1845480000e+00 -3.2846500000e-01 -9.6794200000e-01  2.3700570000e+00 -5.8093300000e-01 -9.3850600000e-01  3.8624670000e+00  1.8119500000e-01  1.3455650000e+00 -3.2365710000e+00  4.9753300000e-01  1.8790350000e+00 -2.5074810000e+00 -7.5060700000e-01  1.2211350000e+00 -3.0563070000e+00
-ENERGY -1.526537772639e+02
-FORCES -2.8121000000e-03  3.6360000000e-03 -4.9530000000e-04  8.5940000000e-04 -1.6756000000e-03  3.3014000000e-03  1.9469000000e-03 -1.9135000000e-03 -2.8510000000e-03 -2.4188000000e-03  1.7568000000e-03  3.4420000000e-03 -1.4160000000e-03 -2.2807000000e-03 -2.8484000000e-03  3.8406000000e-03  4.7710000000e-04 -5.4870000000e-04
-
-JOB 87
-COORDS  7.8192000000e-01  2.1033900000e+00 -2.7748460000e+00  1.1653800000e+00  2.1551700000e+00 -1.8993410000e+00 -1.3934200000e-01  2.3296440000e+00 -2.6471070000e+00 -7.0066800000e-01 -2.1224180000e+00  2.7454930000e+00 -1.4905230000e+00 -1.6622940000e+00  3.0294750000e+00 -9.3629200000e-01 -2.5043090000e+00  1.8999910000e+00
-ENERGY -1.526541504760e+02
-FORCES -2.0270000000e-03  1.2064000000e-03  4.1531000000e-03 -1.6597000000e-03 -1.9090000000e-04 -3.6558000000e-03  3.6789000000e-03 -9.9670000000e-04 -5.2860000000e-04 -4.2077000000e-03  3.1900000000e-05 -2.2215000000e-03  3.2688000000e-03 -1.7519000000e-03 -1.2268000000e-03  9.4670000000e-04  1.7011000000e-03  3.4795000000e-03
-
-JOB 88
-COORDS -2.0749830000e+00  2.7674620000e+00  1.6068330000e+00 -2.7467740000e+00  3.0517380000e+00  2.2266030000e+00 -2.3889870000e+00  1.9231750000e+00  1.2830830000e+00  2.1035770000e+00 -2.7626850000e+00 -1.5735610000e+00  2.8933350000e+00 -3.0484330000e+00 -2.0327590000e+00  1.8628390000e+00 -1.9398950000e+00 -1.9993470000e+00
-ENERGY -1.526541954380e+02
-FORCES -3.9981000000e-03 -2.3858000000e-03  1.3270000000e-03  2.7213000000e-03 -1.1223000000e-03 -2.5449000000e-03  1.2622000000e-03  3.5265000000e-03  1.2277000000e-03  2.3525000000e-03  2.2887000000e-03 -3.5631000000e-03 -3.2331000000e-03  1.1285000000e-03  1.8508000000e-03  8.9520000000e-04 -3.4357000000e-03  1.7026000000e-03
-
-JOB 89
-COORDS  7.4174000000e-01  5.7216100000e-01  3.8911350000e+00  1.2507370000e+00 -4.3964000000e-02  4.4179600000e+00  8.1968000000e-01  1.4058990000e+00  4.3548580000e+00 -7.5321900000e-01 -5.4273200000e-01 -3.9174420000e+00 -4.0079000000e-01 -9.2036300000e-01 -4.7233080000e+00 -1.5981690000e+00 -9.7652600000e-01 -3.7986330000e+00
-ENERGY -1.526538658740e+02
-FORCES  2.4473000000e-03  9.3210000000e-04  3.9001000000e-03 -2.1003000000e-03  2.4930000000e-03 -2.1082000000e-03 -3.3690000000e-04 -3.4170000000e-03 -1.8360000000e-03 -2.0212000000e-03 -3.3240000000e-03 -2.6107000000e-03 -1.4215000000e-03  1.5527000000e-03  3.2527000000e-03  3.4326000000e-03  1.7632000000e-03 -5.9790000000e-04
-
-JOB 0
-COORDS  5.0331600000e-01  9.1015700000e-01  9.2865000000e-01  8.3416900000e-01  1.3418170000e+00  1.4097100000e-01 -9.3923000000e-02  2.3774400000e-01  6.0093200000e-01 -4.6031100000e-01 -9.1657800000e-01 -8.1029400000e-01 -9.0838000000e-02 -4.0216000000e-01 -1.5279960000e+00 -1.3635350000e+00 -1.0870740000e+00 -1.0774080000e+00
-ENERGY -1.526564736481e+02
-FORCES -5.5204000000e-03 -1.0581100000e-02 -1.1362500000e-02 -7.0140000000e-04 -1.3225000000e-03  8.8430000000e-04  1.5485000000e-03  6.2363000000e-03  5.0520000000e-03  1.8402000000e-03  4.5019000000e-03 -1.3069000000e-03 -2.1324000000e-03 -9.0310000000e-04  4.8379000000e-03  4.9656000000e-03  2.0685000000e-03  1.8951000000e-03
-
-JOB 1
-COORDS  1.1481620000e+00 -7.9989300000e-01 -2.1651900000e-01  1.2217890000e+00  1.1878200000e-01 -4.7506700000e-01  2.3894600000e-01 -8.9745400000e-01  6.6393000000e-02 -1.0550820000e+00  7.4176400000e-01  2.5429000000e-01 -1.1416970000e+00  1.5001370000e+00 -3.2329200000e-01 -1.8154390000e+00  1.9706600000e-01  5.0838000000e-02
-ENERGY -1.526540357242e+02
-FORCES -1.2153400000e-02  1.1962200000e-02  3.2480000000e-03  3.4276000000e-03 -1.1496000000e-03 -1.8703000000e-03 -5.7200000000e-04 -6.4007000000e-03 -5.8010000000e-04  1.6424000000e-03 -1.1086000000e-03 -4.3081000000e-03  1.4969000000e-03 -3.9299000000e-03  2.5744000000e-03  6.1584000000e-03  6.2660000000e-04  9.3600000000e-04
-
-JOB 2
-COORDS -4.3594000000e-02 -1.2568380000e+00 -2.6350600000e-01 -6.2559800000e-01 -1.4922810000e+00 -9.8605000000e-01  3.8954100000e-01 -2.0770710000e+00 -2.7192000000e-02  4.5097000000e-02  1.3417280000e+00  2.3601400000e-01 -2.4061900000e-01  1.7471980000e+00  1.0546670000e+00  4.5138200000e-01  5.1790600000e-01  5.0523800000e-01
-ENERGY -1.526560094365e+02
-FORCES -4.1123000000e-03  4.4086000000e-03 -4.1484000000e-03  3.0495000000e-03 -1.6971000000e-03  3.4481000000e-03 -1.6591000000e-03  5.3021000000e-03 -1.5360000000e-04 -4.6290000000e-04 -1.1584700000e-02  1.3850000000e-04  8.2150000000e-04 -3.0049000000e-03 -2.5694000000e-03  2.3633000000e-03  6.5759000000e-03  3.2847000000e-03
-
-JOB 3
-COORDS -1.1881550000e+00  5.6219500000e-01 -4.5569000000e-01 -1.3261010000e+00  7.7203000000e-02 -1.2693150000e+00 -2.6160100000e-01  8.0182200000e-01 -4.7328500000e-01  1.1808150000e+00 -5.8037200000e-01  4.4315900000e-01  1.3610650000e+00  2.5907100000e-01  8.6633500000e-01  4.2721400000e-01 -9.3138600000e-01  9.1761200000e-01
-ENERGY -1.526552906714e+02
-FORCES  1.0837200000e-02 -5.6038000000e-03 -3.0674000000e-03 -4.3090000000e-04  1.5938000000e-03  3.1747000000e-03 -3.5140000000e-03  3.9033000000e-03  2.6213000000e-03 -9.3444000000e-03  1.4323000000e-03  3.8484000000e-03 -2.8432000000e-03 -1.7643000000e-03 -5.3119000000e-03  5.2953000000e-03  4.3870000000e-04 -1.2652000000e-03
-
-JOB 4
-COORDS -7.6055100000e-01 -1.0874570000e+00 -4.4610400000e-01 -6.4522000000e-02 -1.5710570000e+00 -8.9097000000e-01 -7.4478700000e-01 -2.1925800000e-01 -8.4886200000e-01  7.7139000000e-01  1.0999620000e+00  4.5950500000e-01  6.7543200000e-01  1.6304400000e-01  6.3040900000e-01 -1.0083000000e-02  1.4955940000e+00  8.4551900000e-01
-ENERGY -1.526578354682e+02
-FORCES  3.8673000000e-03  5.7602000000e-03 -5.3139000000e-03 -1.9646000000e-03  2.8078000000e-03  3.9073000000e-03 -1.2579000000e-03 -4.5397000000e-03  3.5991000000e-03 -6.6045000000e-03 -8.0365000000e-03  3.6911000000e-03  3.5531000000e-03  5.0958000000e-03 -2.4519000000e-03  2.4066000000e-03 -1.0876000000e-03 -3.4317000000e-03
-
-JOB 5
-COORDS  3.9606800000e-01 -6.2966600000e-01  1.0899520000e+00  2.5938000000e-01 -1.5328690000e+00  8.0399100000e-01  8.7834000000e-01 -7.0889200000e-01  1.9129750000e+00 -4.2427300000e-01  7.4633000000e-01 -1.1399190000e+00 -5.6012700000e-01 -7.5059000000e-02 -1.6122490000e+00 -1.2635100000e-01  4.7707500000e-01 -2.7102500000e-01
-ENERGY -1.526586759809e+02
-FORCES  1.0870000000e-04  2.1290000000e-04 -2.0783000000e-03  8.3950000000e-04  4.6471000000e-03  1.0947000000e-03 -2.4348000000e-03 -1.4848000000e-03 -3.9904000000e-03  4.2029000000e-03 -7.4912000000e-03  1.0043100000e-02  3.6310000000e-04  1.4603000000e-03  1.7088000000e-03 -3.0793000000e-03  2.6557000000e-03 -6.7778000000e-03
-
-JOB 6
-COORDS  7.9913100000e-01 -8.3143000000e-01 -8.5663300000e-01  1.9147200000e-01 -2.7285100000e-01 -3.7189300000e-01  2.8328100000e-01 -1.6042250000e+00 -1.0866720000e+00 -7.5800500000e-01  7.8835000000e-01  8.1178400000e-01 -1.3923700000e-01  8.0393200000e-01  1.5419310000e+00 -8.8873300000e-01  1.7098660000e+00  5.8828900000e-01
-ENERGY -1.526619661719e+02
-FORCES -9.5117000000e-03  5.5225000000e-03  5.9720000000e-03  7.6175000000e-03 -6.2756000000e-03 -4.9357000000e-03  9.9720000000e-04  2.5928000000e-03  1.1193000000e-03  2.7403000000e-03  2.7092000000e-03  1.1174000000e-03 -3.0596000000e-03  1.0130000000e-04 -5.0061000000e-03  1.2163000000e-03 -4.6502000000e-03  1.7332000000e-03
-
-JOB 7
-COORDS  1.6637400000e-01  7.8197500000e-01 -1.1143810000e+00  8.0673800000e-01  7.3336000000e-02 -1.1775960000e+00  6.2376500000e-01  1.5499980000e+00 -1.4566760000e+00 -2.7417700000e-01 -8.3962700000e-01  1.1256610000e+00  2.7625300000e-01 -6.9053300000e-01  1.8944450000e+00 -1.1663100000e-01 -7.8858000000e-02  5.6651800000e-01
-ENERGY -1.526595040470e+02
-FORCES  2.9308000000e-03 -5.0230000000e-04 -2.1790000000e-03 -3.8512000000e-03  5.3054000000e-03  3.9961000000e-03 -1.3537000000e-03 -4.5209000000e-03  1.2426000000e-03  3.7040000000e-04  8.4655000000e-03 -3.7297000000e-03 -1.1664000000e-03  2.2070000000e-04 -3.5468000000e-03  3.0702000000e-03 -8.9685000000e-03  4.2166000000e-03
-
-JOB 8
-COORDS  1.2843090000e+00 -2.2410100000e-01  3.4187000000e-01  1.6534100000e+00 -1.1043240000e+00  2.6972800000e-01  1.7100270000e+00  1.5225600000e-01  1.1121630000e+00 -1.3868220000e+00  2.3348200000e-01 -3.4733500000e-01 -1.3630110000e+00  4.9959100000e-01 -1.2664930000e+00 -4.7592600000e-01  2.8739900000e-01 -5.8209000000e-02
-ENERGY -1.526609734572e+02
-FORCES -1.2289000000e-03 -3.8246000000e-03  8.0260000000e-04  1.4440000000e-04  4.7301000000e-03  1.2292000000e-03 -2.2745000000e-03 -2.3588000000e-03 -3.7447000000e-03  1.1862200000e-02 -1.1146000000e-03  5.3980000000e-04  3.5050000000e-04 -1.0980000000e-03  2.6072000000e-03 -8.8536000000e-03  3.6659000000e-03 -1.4340000000e-03
-
-JOB 9
-COORDS  1.4702970000e+00 -8.8531000000e-02  7.0320000000e-03  9.7745300000e-01  4.7912100000e-01  5.9957600000e-01  8.0864100000e-01 -6.5831800000e-01 -3.8512200000e-01 -1.4005980000e+00  6.4807000000e-02  3.8406000000e-02 -1.5404980000e+00 -3.7093600000e-01 -8.0230100000e-01 -1.3902630000e+00  9.9812700000e-01 -1.7381800000e-01
-ENERGY -1.526550669968e+02
-FORCES -1.3334200000e-02 -5.7890000000e-04  3.0622000000e-03  4.0593000000e-03  2.1048000000e-03 -1.1081000000e-03  3.4811000000e-03 -9.4520000000e-04 -3.3240000000e-03  1.2598000000e-03  2.7539000000e-03 -4.9451000000e-03  3.2100000000e-03  1.1578000000e-03  4.2289000000e-03  1.3240000000e-03 -4.4925000000e-03  2.0861000000e-03
-
-JOB 10
-COORDS -4.4496200000e-01 -1.2558670000e+00  6.7467500000e-01 -1.0745650000e+00 -6.5167100000e-01  2.8125400000e-01  4.0849100000e-01 -9.3991700000e-01  3.7798400000e-01  4.0389200000e-01  1.2525160000e+00 -6.0223300000e-01  5.7627000000e-02  8.1675200000e-01 -1.3809780000e+00  1.2238770000e+00  7.9518500000e-01 -4.1594400000e-01
-ENERGY -1.526514404100e+02
-FORCES  1.0411000000e-03  1.1356200000e-02 -3.1085000000e-03 -1.2770000000e-04 -4.8247000000e-03 -3.4570000000e-04  1.9132000000e-03 -1.4530000000e-03 -1.0984000000e-03  2.4706000000e-03 -3.9505000000e-03 -1.9250000000e-03  3.0800000000e-04  5.9720000000e-04  5.7005000000e-03 -5.6052000000e-03 -1.7252000000e-03  7.7700000000e-04
-
-JOB 11
-COORDS -7.0261200000e-01  1.6699000000e-01 -1.2720760000e+00 -1.0188780000e+00  1.0688730000e+00 -1.3251370000e+00 -3.3195400000e-01  9.4007000000e-02 -3.9257800000e-01  6.6746800000e-01 -1.9042300000e-01  1.1727380000e+00  1.4273260000e+00 -7.7246200000e-01  1.1815890000e+00  4.8169400000e-01 -2.4224000000e-02  2.0969120000e+00
-ENERGY -1.526614826859e+02
-FORCES  4.5253000000e-03  1.1978000000e-03  9.6436000000e-03  8.9530000000e-04 -2.5764000000e-03  9.5310000000e-04 -4.6119000000e-03  1.2661000000e-03 -8.5370000000e-03  7.5180000000e-04 -1.7315000000e-03  1.7110000000e-04 -3.5930000000e-03  2.9263000000e-03  1.7339000000e-03  2.0325000000e-03 -1.0823000000e-03 -3.9648000000e-03
-
-JOB 12
-COORDS  2.0639200000e-01  1.3343610000e+00 -5.3030400000e-01  5.0503200000e-01  2.0511720000e+00  2.9364000000e-02  9.9474000000e-02  5.9305900000e-01  6.5743000000e-02 -2.2683100000e-01 -1.2832550000e+00  4.8657000000e-01  6.1878200000e-01 -1.6363660000e+00  2.1001200000e-01 -8.4840000000e-01 -1.9923490000e+00  3.2204100000e-01
-ENERGY -1.526605234531e+02
-FORCES -2.7079000000e-03 -6.2525000000e-03  5.1058000000e-03 -9.5740000000e-04 -3.5475000000e-03 -1.0442000000e-03  5.4282000000e-03  8.2641000000e-03 -2.7164000000e-03 -1.4742000000e-03 -2.5826000000e-03 -3.9627000000e-03 -4.3254000000e-03  2.5479000000e-03  1.7066000000e-03  4.0367000000e-03  1.5706000000e-03  9.1090000000e-04
-
-JOB 13
-COORDS -1.3032980000e+00  4.7564400000e-01 -1.6485700000e-01 -1.3864020000e+00  1.2978010000e+00 -6.4795400000e-01 -1.4797820000e+00  7.1327800000e-01  7.4542600000e-01  1.3530770000e+00 -5.9544800000e-01  1.1621500000e-01  1.7423560000e+00  2.3014900000e-01  4.0445500000e-01  4.0997700000e-01 -4.6220000000e-01  2.1128700000e-01
-ENERGY -1.526582739982e+02
-FORCES  1.9110000000e-04  4.8990000000e-03 -1.7369000000e-03 -4.3430000000e-04 -3.3446000000e-03  3.4642000000e-03  4.0139000000e-03 -2.0515000000e-03 -4.5979000000e-03 -9.5743000000e-03  6.6233000000e-03 -1.5907000000e-03 -1.0409000000e-03 -2.2893000000e-03 -5.9230000000e-04  6.8445000000e-03 -3.8370000000e-03  5.0536000000e-03
-
-JOB 14
-COORDS -1.1535150000e+00  7.0557500000e-01 -6.0188000000e-01 -1.8653210000e+00  6.5630000000e-02 -5.9614700000e-01 -3.7532000000e-01  2.0108000000e-01 -3.6496400000e-01  1.1019310000e+00 -5.9602000000e-01  5.7803200000e-01  1.8476380000e+00 -7.3177300000e-01 -6.5390000000e-03  1.3090650000e+00 -1.1143880000e+00  1.3556060000e+00
-ENERGY -1.526603873510e+02
-FORCES  5.9382000000e-03 -6.9058000000e-03  5.1899000000e-03  2.1246000000e-03  1.7675000000e-03  2.2310000000e-04 -5.3729000000e-03  4.0484000000e-03 -6.6227000000e-03  9.2200000000e-04 -1.1558000000e-03  2.5063000000e-03 -4.3499000000e-03  4.5320000000e-04  2.8472000000e-03  7.3800000000e-04  1.7925000000e-03 -4.1437000000e-03
-
-JOB 15
-COORDS -1.4409910000e+00  1.9700800000e-01 -7.4267000000e-02 -1.3458050000e+00  5.8499500000e-01  7.9558200000e-01 -1.1479660000e+00  8.8154300000e-01 -6.7574900000e-01  1.4780290000e+00 -2.3644300000e-01  4.3796000000e-02  6.9609900000e-01  2.3771400000e-01  3.2662600000e-01  1.2241720000e+00 -1.1588020000e+00  7.6075000000e-02
-ENERGY -1.526544698052e+02
-FORCES  2.1000000000e-06  4.1240000000e-03 -1.3642000000e-03  4.4258000000e-03 -3.1115000000e-03 -5.1317000000e-03  3.4540000000e-04 -3.7684000000e-03  5.0033000000e-03 -1.1243600000e-02 -4.1685000000e-03 -3.0170000000e-04  3.2155000000e-03  4.4357000000e-03  1.4959000000e-03  3.2549000000e-03  2.4887000000e-03  2.9850000000e-04
-
-JOB 16
-COORDS  2.0102500000e-01 -1.3511390000e+00  5.3293500000e-01 -7.2750800000e-01 -1.4126690000e+00  3.0871900000e-01  6.5832400000e-01 -1.5088500000e+00 -2.9304200000e-01 -2.3517700000e-01  1.3687250000e+00 -5.0596500000e-01 -2.4473000000e-02  8.2286800000e-01  2.5158100000e-01  5.7898800000e-01  1.8325850000e+00 -7.0141400000e-01
-ENERGY -1.526595054318e+02
-FORCES -2.6264000000e-03 -1.4563000000e-03 -7.6912000000e-03  4.6250000000e-03  1.3381000000e-03  2.1117000000e-03 -1.2893000000e-03  4.7490000000e-04  4.3221000000e-03  4.8378000000e-03 -4.4807000000e-03  5.0892000000e-03 -3.0334000000e-03  6.6438000000e-03 -4.3274000000e-03 -2.5137000000e-03 -2.5198000000e-03  4.9560000000e-04
-
-JOB 17
-COORDS  6.6473900000e-01 -1.0461080000e+00  6.8856700000e-01  1.4158300000e+00 -1.3820420000e+00  1.1776920000e+00 -4.4062000000e-02 -1.0117370000e+00  1.3309460000e+00 -7.0517700000e-01  1.0498060000e+00 -7.9337900000e-01 -5.3255500000e-01  1.9360170000e+00 -4.7547300000e-01 -3.2800000000e-02  5.1036000000e-01 -3.7728000000e-01
-ENERGY -1.526608578579e+02
-FORCES  1.5800000000e-04 -2.4391000000e-03  3.8785000000e-03 -4.2558000000e-03  1.1805000000e-03 -1.2091000000e-03  4.7112000000e-03  9.2180000000e-04 -3.1643000000e-03  6.6415000000e-03 -3.0370000000e-03  3.4166000000e-03 -3.5500000000e-04 -3.3476000000e-03 -3.5600000000e-04 -6.8998000000e-03  6.7214000000e-03 -2.5658000000e-03
-
-JOB 18
-COORDS  4.7710800000e-01  1.2878920000e+00 -4.6209500000e-01  6.3987600000e-01  5.7410900000e-01 -1.0787420000e+00  1.1895130000e+00  1.9076620000e+00 -6.1892500000e-01 -5.3732600000e-01 -1.3081750000e+00  4.5985300000e-01 -9.7368500000e-01 -5.0244500000e-01  7.3665800000e-01  8.8184000000e-02 -1.4950170000e+00  1.1598950000e+00
-ENERGY -1.526582439802e+02
-FORCES  2.3307000000e-03 -3.4370000000e-03 -3.4084000000e-03  5.2160000000e-04  5.9762000000e-03  1.1708000000e-03 -2.3517000000e-03 -3.5407000000e-03  8.4180000000e-04  1.9025000000e-03  6.8264000000e-03  4.6033000000e-03 -1.5450000000e-04 -5.6278000000e-03 -5.6590000000e-04 -2.2486000000e-03 -1.9700000000e-04 -2.6417000000e-03
-
-JOB 19
-COORDS  1.0709350000e+00  7.3924200000e-01 -7.9377000000e-01  1.7619590000e+00  7.7182000000e-02 -8.1360700000e-01  2.6092000000e-01  2.3794900000e-01 -6.9989000000e-01 -1.0437810000e+00 -6.7269700000e-01  7.2142800000e-01 -9.3573600000e-01 -1.3882360000e+00  1.3479750000e+00 -1.5158710000e+00  3.0700000000e-03  1.2079490000e+00
-ENERGY -1.526594587525e+02
-FORCES -4.5034000000e-03 -7.6938000000e-03  4.2019000000e-03 -1.6754000000e-03  2.1547000000e-03 -2.0100000000e-05  4.6846000000e-03  5.0498000000e-03 -5.0464000000e-03  6.7030000000e-04  8.9370000000e-04  5.1525000000e-03 -9.0650000000e-04  3.3000000000e-03 -2.1672000000e-03  1.7304000000e-03 -3.7044000000e-03 -2.1207000000e-03
-
-JOB 20
-COORDS -1.2085500000e-01  1.4252990000e+00  6.0107000000e-02 -8.8356100000e-01  1.6145030000e+00 -4.8644100000e-01  2.6997800000e-01  2.2820780000e+00  2.3160300000e-01  9.8228000000e-02 -1.5181490000e+00  1.1880000000e-03  8.4346900000e-01 -1.7984800000e+00 -5.3009500000e-01  2.2818000000e-02 -5.7899800000e-01 -1.6775500000e-01
-ENERGY -1.526599160439e+02
-FORCES  2.7710000000e-04  4.6552000000e-03  8.8470000000e-04  4.5534000000e-03 -2.0749000000e-03  2.2846000000e-03 -3.0059000000e-03 -2.8723000000e-03 -1.3921000000e-03  2.9708000000e-03  7.9360000000e-03 -7.8410000000e-04 -2.3276000000e-03  1.0874000000e-03  1.6544000000e-03 -2.4678000000e-03 -8.7314000000e-03 -2.6475000000e-03
-
-JOB 21
-COORDS  3.5890100000e-01  7.3658500000e-01  1.3222100000e+00  9.4697100000e-01  5.1385200000e-01  6.0054900000e-01 -4.8981700000e-01  8.8181000000e-01  9.0409600000e-01 -3.2355000000e-01 -6.8011500000e-01 -1.2384250000e+00 -1.0832610000e+00 -1.1463290000e+00 -8.8954800000e-01  8.0470000000e-03 -1.2481400000e+00 -1.9338550000e+00
-ENERGY -1.526576426507e+02
-FORCES -1.5426000000e-03 -2.7346000000e-03 -9.9945000000e-03  1.2457000000e-03  2.4300000000e-03  5.0893000000e-03  7.0900000000e-04 -1.2690000000e-04  3.7309000000e-03 -2.1113000000e-03 -4.8402000000e-03 -4.1440000000e-04  2.8777000000e-03  2.9808000000e-03 -1.9540000000e-03 -1.1785000000e-03  2.2909000000e-03  3.5427000000e-03
-
-JOB 22
-COORDS  1.1244720000e+00  2.5406500000e-01 -9.7823700000e-01  5.9775700000e-01  2.9081300000e-01 -1.7983100000e-01  1.7735210000e+00  9.4919100000e-01 -8.6976700000e-01 -1.0901520000e+00 -3.0855700000e-01  9.6925200000e-01 -1.9660090000e+00  7.0371000000e-02  1.0435470000e+00 -1.0353300000e+00 -6.1028400000e-01  6.2506000000e-02
-ENERGY -1.526587666794e+02
-FORCES  5.8500000000e-05  3.4545000000e-03  6.4049000000e-03  7.8960000000e-04 -3.4202000000e-03 -8.5775000000e-03 -2.4142000000e-03 -2.2821000000e-03 -1.4050000000e-04 -6.2278000000e-03 -7.3960000000e-04 -2.8231000000e-03  3.7023000000e-03 -2.2915000000e-03 -4.2860000000e-04  4.0915000000e-03  5.2789000000e-03  5.5649000000e-03
-
-JOB 23
-COORDS  4.7826000000e-01  8.0044400000e-01 -1.1681740000e+00  1.0111900000e-01  9.7918800000e-01 -3.0675300000e-01  3.5498800000e-01  1.6137800000e+00 -1.6575820000e+00 -4.5113900000e-01 -8.1695400000e-01  1.0980100000e+00  2.3879500000e-01 -1.4264320000e+00  1.3602310000e+00 -1.1353790000e+00 -9.3082700000e-01  1.7576170000e+00
-ENERGY -1.526575844753e+02
-FORCES -3.2904000000e-03  5.1120000000e-04  4.5449000000e-03  3.0202000000e-03  4.3111000000e-03 -6.0975000000e-03 -2.5220000000e-04 -3.1955000000e-03  2.4826000000e-03  1.1805000000e-03 -4.9625000000e-03  2.1938000000e-03 -3.7200000000e-03  2.4820000000e-03 -3.1200000000e-05  3.0618000000e-03  8.5370000000e-04 -3.0926000000e-03
-
-JOB 24
-COORDS  2.4005300000e-01  4.5665900000e-01  1.3370100000e+00  7.8406700000e-01  1.1783740000e+00  1.6523020000e+00 -2.1290000000e-01  1.3861600000e-01  2.1179800000e+00 -3.0176900000e-01 -5.2538700000e-01 -1.4040490000e+00  3.0022300000e-01 -2.9593700000e-01 -2.1119970000e+00  7.9060000000e-03 -1.9998000000e-02 -6.5244100000e-01
-ENERGY -1.526606445315e+02
-FORCES -1.3793000000e-03 -3.6430000000e-04  4.6790000000e-03 -2.4829000000e-03 -3.3971000000e-03 -1.4100000000e-03  2.9847000000e-03  2.6583000000e-03 -2.2409000000e-03  3.3052000000e-03  3.4156000000e-03  5.7901000000e-03 -1.5438000000e-03 -1.2830000000e-04  3.0024000000e-03 -8.8390000000e-04 -2.1842000000e-03 -9.8207000000e-03
-
-JOB 25
-COORDS  4.7463300000e-01  1.3425500000e+00  5.6138300000e-01 -3.7200000000e-03  5.2529100000e-01  4.2175000000e-01 -1.9936300000e-01  2.0218740000e+00  5.3947100000e-01 -4.0185000000e-01 -1.2699240000e+00 -5.4318600000e-01  9.7230000000e-03 -2.0343610000e+00 -1.4010300000e-01 -1.0834450000e+00 -1.6341930000e+00 -1.1079580000e+00
-ENERGY -1.526603117059e+02
-FORCES -5.2080000000e-03 -5.3178000000e-03 -3.5066000000e-03  3.0914000000e-03  7.5998000000e-03  5.1347000000e-03  1.8650000000e-03 -2.4161000000e-03 -2.2610000000e-04 -5.0230000000e-04 -4.0934000000e-03 -2.0577000000e-03 -2.6013000000e-03  3.5270000000e-03 -1.9872000000e-03  3.3552000000e-03  7.0050000000e-04  2.6430000000e-03
-
-JOB 26
-COORDS  8.9241500000e-01  1.1404440000e+00 -7.0569000000e-02  1.5194090000e+00  9.9148700000e-01 -7.7832800000e-01  1.2330650000e+00  1.9042610000e+00  3.9502100000e-01 -9.6060600000e-01 -1.2448970000e+00  7.8833000000e-02 -1.6401370000e+00 -6.0548300000e-01  2.9242100000e-01 -1.5714700000e-01 -7.2866400000e-01  1.4102000000e-02
-ENERGY -1.526598612815e+02
-FORCES  3.4417000000e-03  3.7080000000e-03  2.4370000000e-04 -3.2234000000e-03 -1.8330000000e-04  4.0348000000e-03 -1.1163000000e-03 -2.8658000000e-03 -3.1313000000e-03  2.9592000000e-03  9.5798000000e-03  1.1894000000e-03  5.8970000000e-04 -3.0961000000e-03 -3.2460000000e-04 -2.6509000000e-03 -7.1426000000e-03 -2.0119000000e-03
-
-JOB 27
-COORDS  5.2770200000e-01  7.9721700000e-01 -1.3377820000e+00  1.1822870000e+00  1.0190700000e-01 -1.2722520000e+00 -2.5746400000e-01  4.2637800000e-01 -9.3501000000e-01 -4.6994500000e-01 -7.0394600000e-01  1.3211470000e+00 -4.6056000000e-01 -1.6604710000e+00  1.2864390000e+00 -1.3955790000e+00 -4.7034100000e-01  1.2514230000e+00
-ENERGY -1.526558073555e+02
-FORCES -2.2190000000e-04 -6.1117000000e-03  6.9089000000e-03 -1.3799000000e-03  2.4850000000e-03 -2.2211000000e-03 -6.2300000000e-05  2.8203000000e-03 -4.8888000000e-03 -3.6433000000e-03 -3.2352000000e-03  2.8751000000e-03  3.3070000000e-04  4.7740000000e-03 -7.5570000000e-04  4.9767000000e-03 -7.3240000000e-04 -1.9183000000e-03
-
-JOB 28
-COORDS -1.2853860000e+00  7.8601200000e-01  7.2214600000e-01 -5.9275400000e-01  9.0010000000e-01  1.3728970000e+00 -8.1958800000e-01  6.5943100000e-01 -1.0443800000e-01  1.2175360000e+00 -7.5428100000e-01 -6.6358300000e-01  1.1066510000e+00 -1.7010160000e+00 -7.5092700000e-01  1.2696970000e+00 -4.3464900000e-01 -1.5643310000e+00
-ENERGY -1.526577262040e+02
-FORCES  8.3846000000e-03 -2.7561000000e-03 -1.4148000000e-03 -3.6993000000e-03  7.3920000000e-04 -9.0210000000e-04 -4.9777000000e-03  3.3737000000e-03  1.2400000000e-03  1.1375000000e-03 -5.1427000000e-03 -3.4453000000e-03  1.0392000000e-03  4.3625000000e-03 -1.4600000000e-04 -1.8843000000e-03 -5.7660000000e-04  4.6682000000e-03
-
-JOB 29
-COORDS -6.3769400000e-01 -1.0796200000e-01 -1.5745890000e+00 -1.2916840000e+00  4.6076100000e-01 -1.1682840000e+00  1.8006800000e-01  1.0847200000e-01 -1.1266460000e+00  5.9951000000e-01  4.7062000000e-02  1.5721500000e+00  1.4955520000e+00  3.8021600000e-01  1.5236820000e+00  3.1696500000e-01 -1.5272000000e-02  6.5972800000e-01
-ENERGY -1.526506577898e+02
-FORCES -6.6330000000e-04  4.4681000000e-03  7.6660000000e-04  4.2018000000e-03 -3.5382000000e-03 -1.4423000000e-03 -4.0761000000e-03 -2.5713000000e-03  5.0578000000e-03  2.1048000000e-03 -4.8880000000e-04 -2.8933000000e-03 -4.5112000000e-03 -1.4738000000e-03 -8.2270000000e-04  2.9439000000e-03  3.6039000000e-03 -6.6600000000e-04
-
-JOB 30
-COORDS  2.1471200000e-01 -9.7293600000e-01 -1.3232630000e+00 -4.1758400000e-01 -1.6908800000e+00 -1.3547180000e+00 -3.1942300000e-01 -1.8029900000e-01 -1.3748240000e+00 -2.2339200000e-01  9.7577900000e-01  1.3196400000e+00  3.7374800000e-01  3.3399300000e-01  9.3523600000e-01  3.3639000000e-01  1.5270480000e+00  1.8664290000e+00
-ENERGY -1.526593384429e+02
-FORCES -6.1903000000e-03 -2.5940000000e-04 -2.5251000000e-03  2.7539000000e-03  3.0379000000e-03 -4.7700000000e-05  3.6304000000e-03 -4.4247000000e-03  6.6100000000e-04  5.2216000000e-03 -1.5375000000e-03  9.2700000000e-04 -3.4999000000e-03  5.5990000000e-03  3.1984000000e-03 -1.9158000000e-03 -2.4153000000e-03 -2.2137000000e-03
-
-JOB 31
-COORDS  3.4090000000e-01 -9.6930600000e-01 -1.3436130000e+00  1.9468500000e-01 -1.1849100000e-01 -9.3013100000e-01  1.2184600000e+00 -1.2260990000e+00 -1.0604570000e+00 -3.7215500000e-01  9.2363200000e-01  1.2425720000e+00 -3.3984800000e-01  1.7616940000e+00  1.7039180000e+00 -6.5292400000e-01  2.9452400000e-01  1.9071200000e+00
-ENERGY -1.526592998579e+02
-FORCES  2.0998000000e-03  4.4619000000e-03  4.8970000000e-03  1.5886000000e-03 -5.0436000000e-03 -5.7526000000e-03 -2.9401000000e-03  2.6010000000e-04 -1.2337000000e-03 -2.1082000000e-03  6.4310000000e-04  5.8500000000e-03 -1.5630000000e-04 -3.9016000000e-03 -1.5980000000e-03  1.5163000000e-03  3.5802000000e-03 -2.1627000000e-03
-
-JOB 32
-COORDS  1.0415190000e+00  8.2596400000e-01  1.0314150000e+00  3.9022400000e-01  1.1539910000e+00  4.1137900000e-01  1.2675220000e+00  1.5865160000e+00  1.5668720000e+00 -1.0449020000e+00 -8.4498100000e-01 -1.0786120000e+00 -1.4576580000e+00 -1.1491050000e+00 -2.7029700000e-01 -1.8372900000e-01 -1.2628460000e+00 -1.0802750000e+00
-ENERGY -1.526582522847e+02
-FORCES -2.0219000000e-03  4.6198000000e-03 -1.1655000000e-03  4.3076000000e-03 -2.9440000000e-04  4.4794000000e-03 -1.3247000000e-03 -2.9155000000e-03 -2.2703000000e-03  2.1985000000e-03 -5.0780000000e-03  3.5305000000e-03  1.1172000000e-03  1.7074000000e-03 -3.7288000000e-03 -4.2767000000e-03  1.9606000000e-03 -8.4530000000e-04
-
-JOB 33
-COORDS -2.2086800000e-01 -1.3697300000e-01  1.7233700000e+00 -2.4734600000e-01 -1.0528850000e+00  2.0002030000e+00  5.0608200000e-01 -9.4969000000e-02  1.1020730000e+00  2.3818200000e-01  2.0405400000e-01 -1.6788490000e+00  8.0300000000e-02 -6.4768200000e-01 -2.0860960000e+00 -6.0347300000e-01  6.5651400000e-01 -1.7347820000e+00
-ENERGY -1.526573795761e+02
-FORCES  3.6431000000e-03 -2.8551000000e-03 -3.4825000000e-03 -8.2800000000e-05  3.2765000000e-03 -1.2031000000e-03 -2.6376000000e-03 -8.2270000000e-04  6.0426000000e-03 -5.7482000000e-03 -9.3140000000e-04 -2.5560000000e-03  9.0520000000e-04  3.3282000000e-03  2.0133000000e-03  3.9203000000e-03 -1.9955000000e-03 -8.1440000000e-04
-
-JOB 34
-COORDS  3.7502400000e-01 -1.6671220000e+00 -3.2702200000e-01  7.6518000000e-02 -2.4687120000e+00  1.0260300000e-01  2.1600200000e-01 -9.7648600000e-01  3.1638000000e-01 -2.8502000000e-01  1.6736990000e+00  2.7638700000e-01 -1.0009330000e+00  1.9941200000e+00  8.2505000000e-01 -7.1924100000e-01  1.2979710000e+00 -4.8945400000e-01
-ENERGY -1.526578810651e+02
-FORCES -4.1660000000e-04  4.0030000000e-04  5.1755000000e-03  9.6680000000e-04  3.3734000000e-03 -1.5093000000e-03 -6.4470000000e-04 -5.9710000000e-03 -3.9900000000e-03 -4.9930000000e-03  2.9247000000e-03 -2.5108000000e-03  3.1369000000e-03 -1.9867000000e-03 -2.2882000000e-03  1.9506000000e-03  1.2593000000e-03  5.1228000000e-03
-
-JOB 35
-COORDS -1.0365230000e+00 -6.2358200000e-01 -1.1550330000e+00 -6.2935100000e-01 -6.1772800000e-01 -2.0212950000e+00 -1.8949210000e+00 -1.0229640000e+00 -1.2960270000e+00  1.1214420000e+00  6.8333800000e-01  1.2083010000e+00  1.0408240000e+00 -2.6683900000e-01  1.2913450000e+00  2.1885800000e-01  9.9651100000e-01  1.1491720000e+00
-ENERGY -1.526568436192e+02
-FORCES -1.2240000000e-03 -1.4279000000e-03 -5.6612000000e-03 -2.4310000000e-03 -5.2880000000e-04  3.4477000000e-03  3.7707000000e-03  1.8044000000e-03  9.2100000000e-04 -6.0694000000e-03 -3.8014000000e-03 -2.3265000000e-03  1.8357000000e-03  3.5014000000e-03  1.3047000000e-03  4.1180000000e-03  4.5230000000e-04  2.3143000000e-03
-
-JOB 36
-COORDS  5.5113100000e-01 -1.1455620000e+00  1.0813570000e+00  8.3707000000e-02 -1.9807620000e+00  1.0676650000e+00  1.1886630000e+00 -1.2389210000e+00  1.7892180000e+00 -6.2047700000e-01  1.1748470000e+00 -1.1427960000e+00  1.0198000000e-02  8.1065100000e-01 -5.2163500000e-01 -2.3103500000e-01  2.0033890000e+00 -1.4222340000e+00
-ENERGY -1.526585924353e+02
-FORCES -1.2590000000e-04 -5.4834000000e-03  3.3752000000e-03  2.6982000000e-03  3.1471000000e-03  8.7970000000e-04 -2.7063000000e-03  2.6460000000e-04 -3.0250000000e-03  4.4131000000e-03 -1.3010000000e-04  2.8976000000e-03 -3.0431000000e-03  5.2481000000e-03 -5.3441000000e-03 -1.2360000000e-03 -3.0464000000e-03  1.2166000000e-03
-
-JOB 37
-COORDS -1.3440590000e+00  1.0667180000e+00  4.6807400000e-01 -8.7463400000e-01  1.3065180000e+00 -3.3090600000e-01 -7.6235000000e-01  1.3371270000e+00  1.1785150000e+00  1.2785240000e+00 -1.0371290000e+00 -4.9611100000e-01  1.7380080000e+00 -1.2172160000e+00  3.2405700000e-01  9.6934100000e-01 -1.8936610000e+00 -7.9105200000e-01
-ENERGY -1.526551052828e+02
-FORCES  6.6333000000e-03  1.2780000000e-04 -1.6286000000e-03 -3.5168000000e-03  1.0238000000e-03  3.1143000000e-03 -2.6349000000e-03 -5.7250000000e-04 -1.8328000000e-03 -7.8530000000e-04 -5.0341000000e-03  2.6074000000e-03 -1.6045000000e-03  1.1224000000e-03 -3.2293000000e-03  1.9083000000e-03  3.3325000000e-03  9.6900000000e-04
-
-JOB 38
-COORDS  6.4156600000e-01  4.5549900000e-01  1.6000800000e+00  2.1144100000e-01 -3.0960500000e-01  1.2181910000e+00  1.4369310000e+00  1.0741700000e-01  2.0031500000e+00 -6.1578300000e-01 -4.1744300000e-01 -1.6160330000e+00 -1.1486790000e+00 -4.9968100000e-01 -8.2515400000e-01 -1.0776200000e+00  2.2852600000e-01 -2.1505070000e+00
-ENERGY -1.526533607077e+02
-FORCES  3.0671000000e-03 -4.8645000000e-03 -1.3020000000e-03 -8.8940000000e-04  2.9956000000e-03  2.0898000000e-03 -3.2951000000e-03  1.6190000000e-03 -1.2984000000e-03 -4.2852000000e-03  4.3756000000e-03  2.5740000000e-04  3.6863000000e-03 -9.3970000000e-04 -1.4995000000e-03  1.7163000000e-03 -3.1861000000e-03  1.7527000000e-03
-
-JOB 39
-COORDS  1.3657070000e+00 -8.5253900000e-01 -7.1561500000e-01  1.3278820000e+00 -8.0454500000e-01 -1.6708620000e+00  2.2109610000e+00 -4.6462800000e-01 -4.8911600000e-01 -1.3815620000e+00  8.7346800000e-01  7.9209900000e-01 -1.0122600000e+00  3.6811800000e-01  6.7897000000e-02 -2.2779360000e+00  5.4902500000e-01  8.7859600000e-01
-ENERGY -1.526571549726e+02
-FORCES  6.0673000000e-03  1.3426000000e-03 -2.1646000000e-03 -8.7990000000e-04  1.8660000000e-04  4.4073000000e-03 -3.3280000000e-03 -2.1229000000e-03 -1.7085000000e-03 -1.1940000000e-04 -4.5912000000e-03 -2.6506000000e-03 -5.1027000000e-03  3.9701000000e-03  2.6150000000e-03  3.3628000000e-03  1.2149000000e-03 -4.9870000000e-04
-
-JOB 40
-COORDS  1.0816010000e+00  1.1566520000e+00 -7.6829200000e-01  1.0746340000e+00  1.9965140000e+00 -3.0914700000e-01  2.0054090000e+00  9.0801600000e-01 -7.9978200000e-01 -1.1658340000e+00 -1.2418220000e+00  7.2103700000e-01 -3.0462100000e-01 -1.1865910000e+00  1.1351540000e+00 -1.4721830000e+00 -3.3578500000e-01  6.8258200000e-01
-ENERGY -1.526549280519e+02
-FORCES  4.7600000000e-03  2.6387000000e-03 -1.3700000000e-05 -6.5630000000e-04 -4.1598000000e-03 -1.3773000000e-03 -4.0490000000e-03  1.0935000000e-03  6.0680000000e-04  4.0298000000e-03  5.6978000000e-03 -7.1060000000e-04 -3.5555000000e-03 -1.5260000000e-03 -4.7500000000e-05 -5.2890000000e-04 -3.7443000000e-03  1.5423000000e-03
-
-JOB 41
-COORDS  1.4943660000e+00  9.0082800000e-01 -5.8519000000e-01  1.2908880000e+00  1.6321280000e+00 -1.1683100000e+00  6.5926900000e-01  4.4800300000e-01 -4.6773800000e-01 -1.4357100000e+00 -9.0199300000e-01  6.7327500000e-01 -1.5787240000e+00 -3.1617300000e-01 -7.0091000000e-02 -1.1742950000e+00 -1.7331660000e+00  2.7698600000e-01
-ENERGY -1.526540378778e+02
-FORCES -3.9603000000e-03  9.7680000000e-04 -1.0170000000e-04  2.8730000000e-04 -3.3522000000e-03  2.3862000000e-03  3.0439000000e-03  2.6205000000e-03 -3.6680000000e-03 -2.3181000000e-03 -3.0955000000e-03 -3.3407000000e-03  3.8243000000e-03 -1.7546000000e-03  3.1394000000e-03 -8.7700000000e-04  4.6051000000e-03  1.5847000000e-03
-
-JOB 42
-COORDS -1.3706110000e+00  3.2766600000e-01  1.2009040000e+00 -1.3593230000e+00 -4.1238800000e-01  5.9392400000e-01 -8.7479000000e-01  2.2480000000e-02  1.9606770000e+00  1.2887520000e+00 -2.4057800000e-01 -1.1767990000e+00  1.3133490000e+00 -9.2473500000e-01 -1.8457960000e+00  2.1711470000e+00  1.3036400000e-01 -1.1803300000e+00
-ENERGY -1.526545862591e+02
-FORCES  4.3674000000e-03 -4.2763000000e-03 -1.3407000000e-03 -2.2987000000e-03  2.0791000000e-03  3.3470000000e-03 -2.3846000000e-03  1.2910000000e-03 -2.1529000000e-03  4.5713000000e-03  1.8950000000e-04 -3.0192000000e-03 -7.1990000000e-04  2.6546000000e-03  3.2953000000e-03 -3.5355000000e-03 -1.9379000000e-03 -1.2950000000e-04
-
-JOB 43
-COORDS -1.4046160000e+00 -1.6000400000e-01 -1.2098330000e+00 -2.2509330000e+00 -1.2988300000e-01 -7.6365700000e-01 -7.6647500000e-01  5.1786000000e-02 -5.2854500000e-01  1.3711820000e+00  1.9278100000e-01  1.1113030000e+00  1.2360120000e+00 -1.4747100000e-01  1.9957170000e+00  2.2028990000e+00 -1.8961500000e-01  8.3156600000e-01
-ENERGY -1.526585308926e+02
-FORCES  1.0764000000e-03  1.4926000000e-03  5.3428000000e-03  2.9960000000e-03 -2.5390000000e-04 -1.5191000000e-03 -6.1385000000e-03 -1.2958000000e-03 -4.9167000000e-03  5.2331000000e-03 -3.0679000000e-03  3.2294000000e-03  3.4870000000e-04  1.4485000000e-03 -3.9683000000e-03 -3.5158000000e-03  1.6766000000e-03  1.8319000000e-03
-
-JOB 44
-COORDS  6.1002400000e-01 -1.1276080000e+00  1.2796260000e+00  1.2549490000e+00 -1.5345300000e+00  7.0107800000e-01  8.4224000000e-02 -1.8584660000e+00  1.6046060000e+00 -5.7681300000e-01  1.1959720000e+00 -1.3204590000e+00 -4.2705300000e-01  8.3636600000e-01 -4.4611000000e-01 -1.4431560000e+00  1.5997150000e+00 -1.2687440000e+00
-ENERGY -1.526581963485e+02
-FORCES  1.5710000000e-03 -6.4386000000e-03 -2.0970000000e-04 -3.0581000000e-03  1.7513000000e-03  2.8022000000e-03  2.3009000000e-03  3.1202000000e-03 -1.3684000000e-03 -2.1598000000e-03 -5.8980000000e-04  5.0585000000e-03 -1.7477000000e-03  3.7292000000e-03 -6.0605000000e-03  3.0936000000e-03 -1.5723000000e-03 -2.2220000000e-04
-
-JOB 45
-COORDS  1.0258980000e+00 -1.1446990000e+00  9.6889900000e-01  7.4130500000e-01 -1.8091130000e+00  1.5964280000e+00  1.6714910000e+00 -6.2409400000e-01  1.4468240000e+00 -1.0923630000e+00  1.1574450000e+00 -1.0778870000e+00 -1.2538100000e+00  1.3261180000e+00 -1.4960000000e-01 -1.6454400000e-01  9.2627500000e-01 -1.1219790000e+00
-ENERGY -1.526559174449e+02
-FORCES  1.5119000000e-03 -2.5850000000e-03  5.0321000000e-03  1.5320000000e-03  3.0358000000e-03 -2.3438000000e-03 -3.2502000000e-03 -1.5225000000e-03 -2.4883000000e-03  4.0653000000e-03 -2.6170000000e-03  4.5909000000e-03 -1.9650000000e-04  6.6640000000e-04 -3.6040000000e-03 -3.6625000000e-03  3.0224000000e-03 -1.1869000000e-03
-
-JOB 46
-COORDS  5.9877900000e-01 -1.6493250000e+00  5.3450900000e-01  1.4013550000e+00 -1.9431130000e+00  9.6554500000e-01 -1.0185700000e-01 -1.8951330000e+00  1.1385940000e+00 -5.7035100000e-01  1.6776890000e+00 -5.2730400000e-01 -6.9072900000e-01  9.3531000000e-01 -1.1194310000e+00 -9.2572700000e-01  2.4265520000e+00 -1.0059940000e+00
-ENERGY -1.526549188647e+02
-FORCES  9.7250000000e-04 -1.3159000000e-03  5.2089000000e-03 -3.3269000000e-03  7.3960000000e-04 -1.7069000000e-03  2.7771000000e-03  4.5030000000e-04 -2.8081000000e-03 -1.0881000000e-03 -1.3760000000e-03 -4.4188000000e-03 -8.5740000000e-04  4.5440000000e-03  1.6425000000e-03  1.5227000000e-03 -3.0419000000e-03  2.0825000000e-03
-
-JOB 47
-COORDS  4.3060000000e-03 -1.2679570000e+00 -1.4179970000e+00  3.9338600000e-01 -1.0132440000e+00 -5.8135500000e-01  6.9102400000e-01 -1.0995340000e+00 -2.0631990000e+00 -6.5835000000e-02  1.1821480000e+00  1.3981450000e+00 -4.1430100000e-01  1.9560860000e+00  9.5562600000e-01  5.5125600000e-01  1.5309680000e+00  2.0413830000e+00
-ENERGY -1.526567930847e+02
-FORCES  3.9813000000e-03  2.4695000000e-03  2.4815000000e-03 -6.3950000000e-04 -3.2025000000e-03 -5.5100000000e-03 -2.6274000000e-03 -5.3610000000e-04  2.2961000000e-03 -2.8800000000e-04  5.8582000000e-03  1.4236000000e-03  2.0011000000e-03 -2.9835000000e-03  2.3342000000e-03 -2.4275000000e-03 -1.6055000000e-03 -3.0255000000e-03
-
-JOB 48
-COORDS -1.8693560000e+00 -3.0879800000e-01 -4.0440100000e-01 -1.6281580000e+00 -9.9173500000e-01 -1.0302220000e+00 -1.0388250000e+00  1.0408600000e-01 -1.6780800000e-01  1.8192300000e+00  2.6282000000e-01  4.2783900000e-01  1.7590710000e+00  9.0454300000e-01  1.1355150000e+00  1.7347780000e+00  7.8016000000e-01 -3.7307200000e-01
-ENERGY -1.526560811976e+02
-FORCES  5.6748000000e-03 -2.3092000000e-03 -5.0300000000e-04 -1.4606000000e-03  2.9191000000e-03  1.8793000000e-03 -5.2702000000e-03  1.6130000000e-04 -2.1645000000e-03  2.9181000000e-03  5.0828000000e-03  6.9960000000e-04 -3.7710000000e-04 -2.9116000000e-03 -3.6436000000e-03 -1.4850000000e-03 -2.9424000000e-03  3.7322000000e-03
-
-JOB 49
-COORDS -3.9634500000e-01 -1.5101160000e+00 -9.9334800000e-01 -4.7284900000e-01 -7.8920900000e-01 -1.6183850000e+00 -8.0840800000e-01 -2.2537810000e+00 -1.4331190000e+00  4.3240300000e-01  1.5509100000e+00  1.1026380000e+00 -3.8535900000e-01  1.4277270000e+00  6.2064000000e-01  1.0358590000e+00  9.1529600000e-01  7.1784400000e-01
-ENERGY -1.526553850121e+02
-FORCES -2.5000000000e-03 -2.1232000000e-03 -5.0396000000e-03  5.4530000000e-04 -2.1455000000e-03  3.8151000000e-03  1.7295000000e-03  3.3497000000e-03  1.6490000000e-03 -1.1931000000e-03 -5.1176000000e-03 -2.7989000000e-03  3.2290000000e-03  1.8568000000e-03  1.1247000000e-03 -1.8107000000e-03  4.1799000000e-03  1.2497000000e-03
-
-JOB 50
-COORDS  1.2816630000e+00 -1.3589500000e+00  3.7009600000e-01  1.9422750000e+00 -6.9632600000e-01  5.7197000000e-01  7.6157200000e-01 -1.4309460000e+00  1.1704410000e+00 -1.3510070000e+00  1.3150290000e+00 -4.2046900000e-01 -7.6610700000e-01  2.0472820000e+00 -2.2571400000e-01 -7.8956100000e-01  6.6536300000e-01 -8.4348800000e-01
-ENERGY -1.526564117540e+02
-FORCES  1.0870000000e-03  1.0171000000e-03  5.6309000000e-03 -3.1914000000e-03 -2.2339000000e-03 -1.4068000000e-03  2.7074000000e-03  2.7320000000e-04 -3.6655000000e-03  5.0877000000e-03 -6.9720000000e-04 -1.6567000000e-03 -2.1862000000e-03 -2.7873000000e-03 -3.7500000000e-04 -3.5045000000e-03  4.4281000000e-03  1.4732000000e-03
-
-JOB 51
-COORDS -1.8933360000e+00 -9.4907000000e-02 -4.8698200000e-01 -1.7099330000e+00 -4.4947400000e-01  3.8300500000e-01 -1.5483160000e+00 -7.5194800000e-01 -1.0915400000e+00  1.9063180000e+00  1.1014100000e-01  4.6727600000e-01  1.4104090000e+00  3.7819700000e-01  1.2408730000e+00  1.5726130000e+00  6.6663800000e-01 -2.3641700000e-01
-ENERGY -1.526557381674e+02
-FORCES  1.7151000000e-03 -5.4853000000e-03  8.9990000000e-04 -7.0630000000e-04  2.3055000000e-03 -3.1988000000e-03 -1.6854000000e-03  3.2168000000e-03  2.2268000000e-03 -3.4381000000e-03  4.6375000000e-03 -3.4600000000e-05  1.8335000000e-03 -1.8826000000e-03 -2.7359000000e-03  2.2812000000e-03 -2.7920000000e-03  2.8426000000e-03
-
-JOB 52
-COORDS  7.0118200000e-01 -9.8707600000e-01 -1.5066400000e+00  4.6936900000e-01 -1.7531560000e+00 -2.0316310000e+00  1.3988980000e+00 -1.2948210000e+00 -9.2809200000e-01 -7.2964100000e-01  9.9482100000e-01  1.5502360000e+00  7.3070000000e-03  1.5836940000e+00  1.3878490000e+00 -1.3885330000e+00  1.2513850000e+00  9.0504700000e-01
-ENERGY -1.526546563806e+02
-FORCES  1.6613000000e-03 -4.8263000000e-03  1.2366000000e-03  8.7890000000e-04  3.1790000000e-03  2.0162000000e-03 -2.2489000000e-03  1.3269000000e-03 -3.0200000000e-03  4.1710000000e-04  2.7510000000e-03 -5.0644000000e-03 -2.6775000000e-03 -2.1213000000e-03  1.3868000000e-03  1.9692000000e-03 -3.0930000000e-04  3.4448000000e-03
-
-JOB 53
-COORDS -7.3562400000e-01  1.1081130000e+00  1.4051790000e+00 -7.7650800000e-01  1.1580470000e+00  2.3602010000e+00 -1.6508460000e+00  1.1174540000e+00  1.1249760000e+00  8.2071600000e-01 -1.1035580000e+00 -1.4949350000e+00  8.2810600000e-01 -5.3290300000e-01 -7.2647500000e-01  2.3021900000e-01 -1.8184550000e+00 -1.2573070000e+00
-ENERGY -1.526570071680e+02
-FORCES -4.5755000000e-03  1.5936000000e-03  3.6762000000e-03 -8.5400000000e-05 -2.7390000000e-04 -4.1071000000e-03  3.9953000000e-03 -4.4750000000e-04  1.3966000000e-03 -2.4223000000e-03  4.5260000000e-04  5.2151000000e-03  9.9650000000e-04 -3.6977000000e-03 -4.8589000000e-03  2.0913000000e-03  2.3728000000e-03 -1.3219000000e-03
-
-JOB 54
-COORDS -1.1049730000e+00  1.6356300000e+00  2.8328900000e-01 -1.3762130000e+00  1.8316620000e+00  1.1800790000e+00 -1.4632430000e+00  7.6528100000e-01  1.0902700000e-01  1.1762390000e+00 -1.6230640000e+00 -3.7264400000e-01  6.6734400000e-01 -2.0765590000e+00  2.9936800000e-01  1.0480280000e+00 -6.9339600000e-01 -1.8419700000e-01
-ENERGY -1.526553573993e+02
-FORCES -4.5249000000e-03 -1.1565000000e-03  2.7290000000e-03  1.3509000000e-03 -1.2215000000e-03 -3.9092000000e-03  2.9868000000e-03  3.3859000000e-03  1.4370000000e-03 -1.3304000000e-03  2.6306000000e-03  3.5270000000e-03  1.4129000000e-03  2.0309000000e-03 -2.8699000000e-03  1.0470000000e-04 -5.6693000000e-03 -9.1380000000e-04
-
-JOB 55
-COORDS  5.6955800000e-01  7.8586300000e-01 -1.8106070000e+00  1.4336160000e+00  5.9567800000e-01 -1.4452770000e+00 -4.5762000000e-02  4.5716400000e-01 -1.1551910000e+00 -5.8953200000e-01 -7.1237300000e-01  1.7056710000e+00 -1.2211660000e+00 -1.2615890000e+00  2.1700330000e+00  2.5836000000e-01 -9.5421700000e-01  2.0782610000e+00
-ENERGY -1.526567195813e+02
-FORCES  6.2800000000e-05 -2.4158000000e-03  5.3368000000e-03 -2.7523000000e-03  7.7270000000e-04 -1.6528000000e-03  3.1365000000e-03  2.0451000000e-03 -4.7956000000e-03  2.7900000000e-05 -3.7498000000e-03  4.8824000000e-03  2.9322000000e-03  2.2562000000e-03 -1.7124000000e-03 -3.4071000000e-03  1.0916000000e-03 -2.0584000000e-03
-
-JOB 56
-COORDS  6.9435300000e-01  9.4278700000e-01 -1.6894850000e+00  2.8132600000e-01  2.3915600000e-01 -2.1900290000e+00  1.1983670000e+00  4.9163200000e-01 -1.0122400000e+00 -6.4417600000e-01 -8.9432500000e-01  1.7195810000e+00 -6.7114100000e-01 -7.2279800000e-01  7.7826200000e-01 -1.5617770000e+00 -8.8366900000e-01  1.9918440000e+00
-ENERGY -1.526545512698e+02
-FORCES  2.3473000000e-03 -3.7719000000e-03 -4.2530000000e-04  1.0669000000e-03  2.8682000000e-03  3.1424000000e-03 -3.6518000000e-03  1.4964000000e-03 -3.0327000000e-03 -4.8037000000e-03  1.5814000000e-03 -2.3047000000e-03  1.2566000000e-03 -1.8441000000e-03  3.7103000000e-03  3.7848000000e-03 -3.2990000000e-04 -1.0899000000e-03
-
-JOB 57
-COORDS -1.0174420000e+00 -7.5672500000e-01  1.7110390000e+00 -1.3916690000e+00 -1.4319150000e+00  1.1450860000e+00 -7.6609500000e-01 -5.3707000000e-02  1.1120210000e+00  1.0107220000e+00  6.9603100000e-01 -1.6645240000e+00  8.5641200000e-01  1.4942390000e+00 -2.1697800000e+00  1.4460590000e+00  9.9720900000e-01 -8.6702400000e-01
-ENERGY -1.526555803238e+02
-FORCES -5.6670000000e-04 -2.7700000000e-04 -5.9109000000e-03  1.1027000000e-03  2.4538000000e-03  2.8726000000e-03 -6.6520000000e-04 -2.1710000000e-03  3.8528000000e-03  2.7222000000e-03  4.8133000000e-03 -2.0510000000e-04  5.3680000000e-04 -3.4525000000e-03  2.3816000000e-03 -3.1298000000e-03 -1.3667000000e-03 -2.9910000000e-03
-
-JOB 58
-COORDS  2.0696420000e+00 -1.8391100000e-01 -1.5905700000e-01  2.8092450000e+00 -1.9839100000e-01 -7.6651800000e-01  1.3919410000e+00  3.1253200000e-01 -6.1785600000e-01 -2.0112530000e+00  1.6149300000e-01  2.0857000000e-01 -2.5534830000e+00 -6.1493900000e-01  6.9388000000e-02 -2.6146550000e+00  8.1552800000e-01  5.6123900000e-01
-ENERGY -1.526552191550e+02
-FORCES -1.1261000000e-03  2.1587000000e-03 -4.0360000000e-03 -2.9197000000e-03 -1.7400000000e-05  2.4140000000e-03  4.6554000000e-03 -1.8304000000e-03  1.1953000000e-03 -5.0020000000e-03 -1.0965000000e-03  1.6661000000e-03  1.9448000000e-03  3.4548000000e-03  4.0630000000e-04  2.4476000000e-03 -2.6692000000e-03 -1.6456000000e-03
-
-JOB 59
-COORDS -2.7959100000e-01 -1.4034230000e+00  1.5006820000e+00  2.5694100000e-01 -1.5742560000e+00  7.2661500000e-01 -7.1481000000e-01 -2.2369430000e+00  1.6797360000e+00  2.9605600000e-01  1.4845390000e+00 -1.5250000000e+00  3.0906600000e-01  1.8912900000e+00 -6.5861900000e-01 -1.2002300000e-01  6.3401300000e-01 -1.3845890000e+00
-ENERGY -1.526550545684e+02
-FORCES  6.6510000000e-04 -5.3477000000e-03 -1.1756000000e-03 -3.0996000000e-03  1.7146000000e-03  2.5583000000e-03  1.9313000000e-03  3.5532000000e-03 -8.8780000000e-04 -2.5078000000e-03 -1.1815000000e-03  4.8162000000e-03  3.8770000000e-04 -1.3861000000e-03 -4.0979000000e-03  2.6232000000e-03  2.6475000000e-03 -1.2133000000e-03
-
-JOB 60
-COORDS  2.0662900000e+00  2.8149300000e-01  1.7370700000e-01  1.7059080000e+00 -5.9335300000e-01  3.1862200000e-01  2.9975330000e+00  1.9415900000e-01  3.7715700000e-01 -2.1043880000e+00 -2.4403200000e-01 -1.2729300000e-01 -1.3331970000e+00  1.4511500000e-01 -5.3967600000e-01 -2.6945860000e+00 -4.3674800000e-01 -8.5582500000e-01
-ENERGY -1.526555985720e+02
-FORCES  3.1292000000e-03 -3.9040000000e-03  2.2808000000e-03  1.3853000000e-03  4.0535000000e-03 -1.4003000000e-03 -3.7593000000e-03  1.9700000000e-04 -8.3070000000e-04  6.7800000000e-04  1.8291000000e-03 -4.7213000000e-03 -3.8074000000e-03 -2.8482000000e-03  1.7059000000e-03  2.3742000000e-03  6.7270000000e-04  2.9657000000e-03
-
-JOB 61
-COORDS -1.7116000000e-01 -7.2366800000e-01 -2.0704050000e+00  4.3640700000e-01 -5.8917600000e-01 -1.3430770000e+00 -9.1629400000e-01 -1.5779100000e-01 -1.8684370000e+00  1.5533000000e-01  6.7127900000e-01  1.9458060000e+00 -3.5700400000e-01  6.3110500000e-01  2.7533530000e+00  1.0383750000e+00  9.0346200000e-01  2.2331280000e+00
-ENERGY -1.526561944565e+02
-FORCES -7.4450000000e-04  3.1825000000e-03  5.2257000000e-03 -1.5654000000e-03 -1.0085000000e-03 -4.2694000000e-03  2.5041000000e-03 -2.3214000000e-03 -1.7817000000e-03  1.1876000000e-03  9.0520000000e-04  5.5584000000e-03  2.2863000000e-03  3.6120000000e-04 -3.2648000000e-03 -3.6681000000e-03 -1.1190000000e-03 -1.4682000000e-03
-
-JOB 62
-COORDS -1.9596480000e+00 -5.9967700000e-01 -3.9980400000e-01 -2.7654380000e+00 -1.5777000000e-01 -1.3212600000e-01 -2.1661350000e+00 -9.7843300000e-01 -1.2542850000e+00  1.9989410000e+00  5.9833200000e-01  3.6322500000e-01  1.6030580000e+00  3.2932000000e-02  1.0264230000e+00  2.6612910000e+00  1.0992390000e+00  8.3926900000e-01
-ENERGY -1.526542508453e+02
-FORCES -3.8476000000e-03  7.4680000000e-04 -3.1574000000e-03  3.2382000000e-03 -1.9448000000e-03 -9.0440000000e-04  4.8970000000e-04  1.3578000000e-03  3.6449000000e-03 -7.6800000000e-05 -7.6550000000e-04  4.5674000000e-03  2.8879000000e-03  2.5010000000e-03 -2.1696000000e-03 -2.6914000000e-03 -1.8953000000e-03 -1.9810000000e-03
-
-JOB 63
-COORDS  1.6205220000e+00  4.7413700000e-01  1.3341350000e+00  2.1255020000e+00  9.6090900000e-01  1.9855020000e+00  8.9658500000e-01  9.0713000000e-02  1.8292430000e+00 -1.5714980000e+00 -4.2778200000e-01 -1.3832340000e+00 -1.4070880000e+00 -1.0765970000e+00 -2.0675150000e+00 -2.3945450000e+00 -7.0601300000e-01 -9.8147100000e-01
-ENERGY -1.526534508835e+02
-FORCES -1.7599000000e-03  4.1230000000e-04  4.1153000000e-03 -2.0076000000e-03 -1.9685000000e-03 -2.7326000000e-03  3.4330000000e-03  1.4530000000e-03 -1.1867000000e-03 -2.2065000000e-03 -3.7551000000e-03 -1.7596000000e-03 -9.9510000000e-04  2.6508000000e-03  2.8016000000e-03  3.5362000000e-03  1.2075000000e-03 -1.2380000000e-03
-
-JOB 64
-COORDS  2.6642400000e-01 -1.5337540000e+00 -1.5186560000e+00  1.0191530000e+00 -1.2688640000e+00 -9.9001200000e-01  3.7347700000e-01 -2.4781210000e+00 -1.6324250000e+00 -2.8922400000e-01  1.5940880000e+00  1.5516860000e+00 -5.3069500000e-01  2.1453830000e+00  8.0737600000e-01 -5.2762800000e-01  7.0746500000e-01  1.2809560000e+00
-ENERGY -1.526556310579e+02
-FORCES  4.1197000000e-03 -3.5322000000e-03  7.2250000000e-04 -3.9346000000e-03 -9.6270000000e-04 -1.8381000000e-03 -3.7790000000e-04  3.9829000000e-03  5.3820000000e-04 -2.8827000000e-03 -1.3621000000e-03 -4.4899000000e-03  1.2417000000e-03 -1.9293000000e-03  3.2673000000e-03  1.8337000000e-03  3.8033000000e-03  1.8000000000e-03
-
-JOB 65
-COORDS  1.1896020000e+00 -1.4354450000e+00  1.2832750000e+00  1.0300940000e+00 -1.9022790000e+00  4.6299800000e-01  5.1013800000e-01 -7.6185000000e-01  1.3120930000e+00 -1.0756010000e+00  1.4090910000e+00 -1.2722090000e+00 -1.1985690000e+00  1.7283240000e+00 -3.7822800000e-01 -1.9634900000e+00  1.2694820000e+00 -1.6014430000e+00
-ENERGY -1.526546746247e+02
-FORCES -3.3461000000e-03  1.2438000000e-03 -4.3802000000e-03  7.8170000000e-04  1.2050000000e-03  3.7855000000e-03  2.4767000000e-03 -2.5360000000e-03  9.9630000000e-04 -4.6106000000e-03  2.0530000000e-03  1.3937000000e-03  8.1910000000e-04 -2.3603000000e-03 -3.3489000000e-03  3.8791000000e-03  3.9450000000e-04  1.5537000000e-03
-
-JOB 66
-COORDS  2.1474100000e+00  4.2131000000e-01 -2.1861000000e-02  2.7162120000e+00  7.6435500000e-01  6.6735400000e-01  2.0438200000e+00 -5.0595700000e-01  1.9186200000e-01 -2.1167300000e+00 -4.1208200000e-01 -4.2261000000e-02 -2.9714510000e+00 -7.5245100000e-01 -3.0651900000e-01 -2.3150190000e+00  2.3583600000e-01  6.3384300000e-01
-ENERGY -1.526539868592e+02
-FORCES  1.1518000000e-03 -3.0035000000e-03  3.3311000000e-03 -2.4204000000e-03 -1.2109000000e-03 -2.7214000000e-03  1.3790000000e-03  3.9008000000e-03 -6.3220000000e-04 -4.1166000000e-03  2.0062000000e-03  1.4431000000e-03  3.5697000000e-03  1.3018000000e-03  1.1020000000e-03  4.3640000000e-04 -2.9945000000e-03 -2.5225000000e-03
-
-JOB 67
-COORDS -1.1991530000e+00  1.5592170000e+00  1.0606600000e+00 -3.6467400000e-01  2.0281010000e+00  1.0656750000e+00 -1.0238440000e+00  7.5212500000e-01  1.5445000000e+00  1.1226810000e+00 -1.5298400000e+00 -1.0198510000e+00  1.9215280000e+00 -1.2109820000e+00 -1.4398550000e+00  6.9135500000e-01 -2.0562690000e+00 -1.6929500000e+00
-ENERGY -1.526547653967e+02
-FORCES  4.7985000000e-03 -2.5512000000e-03  1.2456000000e-03 -3.3936000000e-03 -1.1900000000e-03  2.1150000000e-04 -1.3265000000e-03  3.8338000000e-03 -1.0924000000e-03  1.0443000000e-03 -8.0590000000e-04 -5.0624000000e-03 -3.1546000000e-03 -1.2274000000e-03  1.9111000000e-03  2.0318000000e-03  1.9406000000e-03  2.7866000000e-03
-
-JOB 68
-COORDS -2.2302040000e+00 -3.0289000000e-02  4.9350100000e-01 -1.4168060000e+00  3.6807300000e-01  8.0321500000e-01 -2.1641000000e+00  1.2300000000e-04 -4.6092900000e-01  2.1194710000e+00  2.4435000000e-02 -4.0527500000e-01  2.9645840000e+00  4.6136500000e-01 -5.1066800000e-01  2.1518140000e+00 -7.1135000000e-01 -1.0166720000e+00
-ENERGY -1.526557782122e+02
-FORCES  4.6905000000e-03  1.9340000000e-03 -2.5333000000e-03 -4.5336000000e-03 -1.4654000000e-03 -8.3500000000e-04 -8.3900000000e-04 -3.7310000000e-04  3.5012000000e-03  4.4878000000e-03 -1.5104000000e-03 -2.8317000000e-03 -3.5193000000e-03 -1.8884000000e-03  3.2980000000e-04 -2.8640000000e-04  3.3033000000e-03  2.3690000000e-03
-
-JOB 69
-COORDS -2.0079300000e+00 -1.6722500000e-01 -9.2178700000e-01 -2.1493260000e+00  7.7492700000e-01 -1.0144630000e+00 -2.5611290000e+00 -5.6046100000e-01 -1.5967440000e+00  2.0855790000e+00  1.4968500000e-01  9.3743700000e-01  1.8276330000e+00  5.6301400000e-01  1.7613640000e+00  1.5055200000e+00 -6.0746200000e-01  8.5686100000e-01
-ENERGY -1.526551683802e+02
-FORCES -2.7659000000e-03  2.5972000000e-03 -3.6224000000e-03  2.0640000000e-04 -3.9668000000e-03  5.0910000000e-04  2.2142000000e-03  1.6082000000e-03  2.8081000000e-03 -4.3097000000e-03 -1.7445000000e-03  2.4938000000e-03  1.2484000000e-03 -1.3983000000e-03 -3.1411000000e-03  3.4066000000e-03  2.9042000000e-03  9.5260000000e-04
-
-JOB 70
-COORDS  9.1297000000e-02  2.3314890000e+00 -2.0491700000e-01 -1.4723600000e-01  1.7016510000e+00  4.7525800000e-01 -2.5024300000e-01  1.9514530000e+00 -1.0143340000e+00  9.0600000000e-03 -2.2622250000e+00  2.5079500000e-01 -3.7034100000e-01 -1.7804360000e+00 -4.8416500000e-01 -6.5145900000e-01 -2.9178890000e+00  4.7451600000e-01
-ENERGY -1.526539661858e+02
-FORCES -1.8303000000e-03 -4.1217000000e-03  3.6900000000e-05  4.8650000000e-04  3.0139000000e-03 -3.3751000000e-03  1.1805000000e-03  1.1621000000e-03  3.1953000000e-03 -3.9901000000e-03 -1.9415000000e-03 -2.2831000000e-03  1.3815000000e-03 -1.0647000000e-03  3.3959000000e-03  2.7719000000e-03  2.9518000000e-03 -9.7000000000e-04
-
-JOB 71
-COORDS -6.1923100000e-01  2.0076840000e+00 -8.9469100000e-01 -7.1562200000e-01  2.5638240000e+00 -1.2161300000e-01 -9.2948900000e-01  2.5494580000e+00 -1.6202620000e+00  6.3931300000e-01 -2.0776620000e+00  9.5884100000e-01  1.9706700000e-01 -1.4470590000e+00  3.9051800000e-01  1.1489840000e+00 -2.6238520000e+00  3.6039000000e-01
-ENERGY -1.526557551614e+02
-FORCES -1.6906000000e-03  5.1550000000e-03  1.5320000000e-04  2.9080000000e-04 -2.3151000000e-03 -3.3684000000e-03  1.2779000000e-03 -2.1600000000e-03  3.0238000000e-03  1.1910000000e-04  1.1310000000e-03 -5.1512000000e-03  1.9432000000e-03 -3.7049000000e-03  2.9101000000e-03 -1.9404000000e-03  1.8940000000e-03  2.4326000000e-03
-
-JOB 72
-COORDS  2.1969440000e+00 -4.0130000000e-01  9.5764100000e-01  1.3115000000e+00 -7.1950200000e-01  7.8166700000e-01  2.5070500000e+00 -7.5108000000e-02  1.1285400000e-01 -2.1483230000e+00  3.5296100000e-01 -9.4555900000e-01 -1.5847690000e+00  1.0261050000e+00 -5.6409500000e-01 -3.0161450000e+00  5.3351000000e-01 -5.8428500000e-01
-ENERGY -1.526549594501e+02
-FORCES -2.2109000000e-03 -8.5460000000e-04 -4.4181000000e-03  3.9108000000e-03  2.0109000000e-03  1.1060000000e-03 -1.3141000000e-03 -9.5370000000e-04  3.5940000000e-03 -2.2545000000e-03  3.9429000000e-03  2.8196000000e-03 -1.7969000000e-03 -3.4327000000e-03 -1.5767000000e-03  3.6655000000e-03 -7.1280000000e-04 -1.5247000000e-03
-
-JOB 73
-COORDS -2.1362150000e+00 -2.4521300000e-01  1.1117190000e+00 -1.4769170000e+00  2.5626600000e-01  6.3205400000e-01 -1.8861180000e+00 -1.5277100000e-01  2.0310320000e+00  2.1276320000e+00  2.4083200000e-01 -1.1295010000e+00  1.2066880000e+00  5.0147000000e-01 -1.1422490000e+00  2.1092560000e+00 -7.1053900000e-01 -1.2333580000e+00
-ENERGY -1.526536748968e+02
-FORCES  3.4331000000e-03  2.6738000000e-03  2.6571000000e-03 -2.2349000000e-03 -2.3361000000e-03  9.9430000000e-04 -1.1590000000e-03 -4.5460000000e-04 -3.9658000000e-03 -3.3574000000e-03 -3.2903000000e-03 -1.2859000000e-03  3.2270000000e-03 -8.0380000000e-04  1.0323000000e-03  9.1200000000e-05  4.2110000000e-03  5.6800000000e-04
-
-JOB 74
-COORDS -1.8485400000e-01  5.5786300000e-01 -2.4117120000e+00  3.1320400000e-01  6.3952600000e-01 -1.5983850000e+00 -1.0916620000e+00  4.4350000000e-01 -2.1273650000e+00  2.1673000000e-01 -5.7489300000e-01  2.2727820000e+00 -3.0651800000e-01 -1.0219330000e+00  2.9380620000e+00  6.2082000000e-01  1.5780100000e-01  2.7376500000e+00
-ENERGY -1.526553111750e+02
-FORCES -1.5534000000e-03 -7.8260000000e-04  5.2774000000e-03 -1.7629000000e-03  4.0500000000e-04 -4.0253000000e-03  3.3128000000e-03  7.0060000000e-04 -1.6321000000e-03 -3.8600000000e-04  5.8420000000e-04  5.3321000000e-03  2.1539000000e-03  1.9978000000e-03 -2.7079000000e-03 -1.7644000000e-03 -2.9050000000e-03 -2.2442000000e-03
-
-JOB 75
-COORDS  1.6220990000e+00 -5.6505200000e-01  1.9219820000e+00  1.3483870000e+00  1.3670700000e-01  1.3313480000e+00  1.7505090000e+00 -1.3201600000e-01  2.7659140000e+00 -1.6197060000e+00  4.6294000000e-01 -1.8921600000e+00 -8.5696900000e-01  6.4229800000e-01 -2.4419740000e+00 -2.2743030000e+00  1.1019220000e+00 -2.1740060000e+00
-ENERGY -1.526542241525e+02
-FORCES -1.3318000000e-03  4.5452000000e-03  8.0150000000e-04  1.9195000000e-03 -2.6761000000e-03  2.5710000000e-03 -3.9800000000e-04 -1.7412000000e-03 -3.3598000000e-03  5.8000000000e-06  2.9468000000e-03 -3.8888000000e-03 -2.9911000000e-03 -4.9900000000e-04  2.6405000000e-03  2.7955000000e-03 -2.5757000000e-03  1.2356000000e-03
-
-JOB 76
-COORDS -8.3597300000e-01  2.4809780000e+00  1.6651700000e-01 -1.3210120000e+00  2.6742290000e+00  9.6877800000e-01 -1.4094350000e+00  1.8928190000e+00 -3.2485100000e-01  8.7952000000e-01 -2.5253560000e+00 -1.7061700000e-01  8.6835800000e-01 -1.7802210000e+00  4.3011700000e-01  1.1567430000e+00 -2.1541900000e+00 -1.0082420000e+00
-ENERGY -1.526548083366e+02
-FORCES -4.8446000000e-03 -9.3550000000e-04  1.2398000000e-03  2.1080000000e-03 -9.3720000000e-04 -3.3121000000e-03  2.7649000000e-03  2.1907000000e-03  2.0919000000e-03  1.5827000000e-03  4.7714000000e-03 -8.6560000000e-04 -2.6530000000e-04 -3.4140000000e-03 -2.4337000000e-03 -1.3457000000e-03 -1.6755000000e-03  3.2797000000e-03
-
-JOB 77
-COORDS  3.1830800000e-01  1.2895360000e+00 -2.4533210000e+00  9.7653000000e-02  8.6878200000e-01 -1.6223530000e+00 -2.8744200000e-01  2.0279670000e+00 -2.5167170000e+00 -2.7556500000e-01 -1.3057640000e+00  2.4729550000e+00 -5.1874100000e-01 -6.3135100000e-01  1.8387120000e+00  7.2005000000e-02 -2.0214900000e+00  1.9408240000e+00
-ENERGY -1.526532846222e+02
-FORCES -3.3343000000e-03  1.7301000000e-03  2.7707000000e-03  7.9320000000e-04  1.3187000000e-03 -2.9359000000e-03  2.5219000000e-03 -3.2122000000e-03  3.7820000000e-04  5.4040000000e-04 -5.5940000000e-04 -4.3916000000e-03  1.0347000000e-03 -2.5070000000e-03  2.0853000000e-03 -1.5559000000e-03  3.2299000000e-03  2.0932000000e-03
-
-JOB 78
-COORDS  8.5306300000e-01  2.2720190000e+00 -1.5275740000e+00  1.3812850000e+00  3.0682310000e+00 -1.5846760000e+00  8.3866000000e-01  2.0599990000e+00 -5.9426200000e-01 -8.8486000000e-01 -2.2723150000e+00  1.4241190000e+00 -1.1676410000e+00 -1.9705570000e+00  2.2873740000e+00 -5.9178800000e-01 -3.1720310000e+00  1.5685220000e+00
-ENERGY -1.526540147903e+02
-FORCES  1.9199000000e-03  1.8779000000e-03  3.7331000000e-03 -2.1316000000e-03 -3.1958000000e-03  2.0500000000e-04  2.3470000000e-04  1.4086000000e-03 -3.8226000000e-03 -1.1860000000e-04 -2.7744000000e-03  3.9092000000e-03  1.3018000000e-03 -1.0418000000e-03 -3.5389000000e-03 -1.2062000000e-03  3.7255000000e-03 -4.8590000000e-04
-
-JOB 79
-COORDS  2.1221820000e+00 -1.8043850000e+00 -9.6223400000e-01  1.3144010000e+00 -1.3517050000e+00 -7.1974300000e-01  1.8709690000e+00 -2.3682260000e+00 -1.6938120000e+00 -2.0054980000e+00  1.7762390000e+00  9.9669700000e-01 -2.4533100000e+00  2.3027980000e+00  1.6588390000e+00 -2.5481300000e+00  1.8639190000e+00  2.1305600000e-01
-ENERGY -1.526545290838e+02
-FORCES -4.4902000000e-03 -1.4550000000e-04 -1.6057000000e-03  3.4986000000e-03 -2.2224000000e-03 -1.4159000000e-03  1.0330000000e-03  2.2353000000e-03  2.8601000000e-03 -4.1200000000e-03  2.8843000000e-03 -1.3570000000e-04  1.7404000000e-03 -2.1591000000e-03 -2.8032000000e-03  2.3383000000e-03 -5.9260000000e-04  3.1003000000e-03
-
-JOB 80
-COORDS  1.6276180000e+00 -1.9155430000e+00  1.6388970000e+00  2.1679710000e+00 -1.6753530000e+00  8.8619500000e-01  1.1238090000e+00 -1.1255150000e+00  1.8345090000e+00 -1.5956540000e+00  1.9056910000e+00 -1.5865760000e+00 -2.1315950000e+00  1.9632480000e+00 -2.3775790000e+00 -1.7754950000e+00  1.0326060000e+00 -1.2378450000e+00
-ENERGY -1.526544094114e+02
-FORCES  5.2200000000e-04  4.4174000000e-03 -2.1053000000e-03 -2.3260000000e-03 -1.1413000000e-03  3.0383000000e-03  1.7904000000e-03 -3.4319000000e-03 -8.9980000000e-04 -3.2844000000e-03 -3.1934000000e-03 -2.0785000000e-03  2.2238000000e-03 -2.5290000000e-04  3.2611000000e-03  1.0741000000e-03  3.6021000000e-03 -1.2157000000e-03
-
-JOB 81
-COORDS -8.9454500000e-01 -2.9567100000e-01  2.8102800000e+00 -5.7852400000e-01 -4.3669800000e-01  3.7027340000e+00 -4.3239700000e-01 -9.4963500000e-01  2.2858930000e+00  8.4710400000e-01  3.3269800000e-01 -2.8974540000e+00  2.0835600000e-01  1.9926300000e-01 -2.1971480000e+00  1.6556070000e+00  5.6931300000e-01 -2.4429580000e+00
-ENERGY -1.526541610820e+02
-FORCES  2.9628000000e-03 -3.4085000000e-03  2.0584000000e-03 -1.2514000000e-03  5.7690000000e-04 -3.7481000000e-03 -1.7845000000e-03  2.9656000000e-03  1.7225000000e-03  4.8080000000e-04  8.3750000000e-04  4.6869000000e-03  2.8130000000e-03  1.9490000000e-04 -2.8813000000e-03 -3.2208000000e-03 -1.1664000000e-03 -1.8385000000e-03
-
-JOB 82
-COORDS -2.7646510000e+00 -1.3717980000e+00  1.3204800000e-01 -2.8300210000e+00 -5.1438100000e-01  5.5251800000e-01 -1.9033050000e+00 -1.7003690000e+00  3.8964500000e-01  2.7023290000e+00  1.4047790000e+00 -1.7065500000e-01  3.4040710000e+00  1.0119760000e+00 -6.8978500000e-01  2.3583710000e+00  6.8178900000e-01  3.5395000000e-01
-ENERGY -1.526538271303e+02
-FORCES  3.0622000000e-03  2.3696000000e-03  2.6535000000e-03  3.2640000000e-04 -3.6737000000e-03 -1.6288000000e-03 -3.2979000000e-03  1.3011000000e-03 -1.0029000000e-03  1.7817000000e-03 -4.4597000000e-03 -2.0110000000e-04 -2.9253000000e-03  1.5848000000e-03  2.2226000000e-03  1.0529000000e-03  2.8780000000e-03 -2.0433000000e-03
-
-JOB 83
-COORDS -1.3244000000e-02  1.1039530000e+00  2.8264480000e+00 -7.8257800000e-01  1.3175220000e+00  3.3544130000e+00  3.5861700000e-01  1.9535570000e+00  2.5895410000e+00  6.2090000000e-03 -1.2051220000e+00 -2.8955740000e+00 -1.9516900000e-01 -3.6118200000e-01 -2.4912930000e+00  7.8851300000e-01 -1.5106360000e+00 -2.4363420000e+00
-ENERGY -1.526544370674e+02
-FORCES -1.7431000000e-03  4.3357000000e-03  1.6506000000e-03  3.2028000000e-03 -8.1400000000e-04 -2.2262000000e-03 -1.5083000000e-03 -3.5673000000e-03  7.0080000000e-04  2.2929000000e-03  2.0878000000e-03  3.9918000000e-03  8.1450000000e-04 -3.2622000000e-03 -1.9761000000e-03 -3.0586000000e-03  1.2200000000e-03 -2.1409000000e-03
-
-JOB 84
-COORDS -8.2617800000e-01 -9.7852600000e-01 -2.9664900000e+00 -6.8303200000e-01 -1.7954670000e+00 -2.4886330000e+00 -1.3999480000e+00 -1.2226710000e+00 -3.6927220000e+00  7.9288000000e-01  1.0035560000e+00  2.9876410000e+00  1.6245890000e+00  7.2943700000e-01  2.6011820000e+00  9.3649600000e-01  1.9141970000e+00  3.2452050000e+00
-ENERGY -1.526540586819e+02
-FORCES -1.9336000000e-03 -4.3047000000e-03 -7.7070000000e-04 -4.5510000000e-04  3.2739000000e-03 -2.1100000000e-03  2.3699000000e-03  1.0020000000e-03  2.9024000000e-03  3.8949000000e-03  2.7452000000e-03 -8.5300000000e-04 -3.3251000000e-03  1.0027000000e-03  1.7436000000e-03 -5.5100000000e-04 -3.7191000000e-03 -9.1230000000e-04
-
-JOB 85
-COORDS  2.7669820000e+00 -1.8654730000e+00 -9.6395400000e-01  2.7656330000e+00 -2.1979770000e+00 -1.8615460000e+00  2.6859410000e+00 -9.1650200000e-01 -1.0594450000e+00 -2.7587440000e+00  1.8957850000e+00  1.0103240000e+00 -2.7731690000e+00  1.3932220000e+00  1.8248510000e+00 -2.8124770000e+00  1.2351520000e+00  3.1973800000e-01
-ENERGY -1.526542915265e+02
-FORCES -9.5700000000e-05  2.5958000000e-03 -4.0636000000e-03 -8.7800000000e-05  1.3390000000e-03  3.6782000000e-03  2.2710000000e-04 -3.9795000000e-03  3.7430000000e-04 -3.3180000000e-04 -4.8549000000e-03  6.5090000000e-04  2.2800000000e-05  2.1164000000e-03 -3.3439000000e-03  2.6530000000e-04  2.7831000000e-03  2.7041000000e-03
-
-JOB 86
-COORDS  4.1666900000e-01  3.7180380000e+00  1.2065300000e-01  9.6325900000e-01  4.4148540000e+00  4.8386000000e-01 -4.6689400000e-01  3.9215190000e+00  4.2748100000e-01 -3.8091900000e-01 -3.8331680000e+00 -1.3729200000e-01 -2.7236100000e-01 -3.4280230000e+00 -9.9770200000e-01 -7.4897800000e-01 -3.1394020000e+00  4.0993100000e-01
-ENERGY -1.526543119005e+02
-FORCES -1.2548000000e-03  3.8609000000e-03  2.7397000000e-03 -2.2748000000e-03 -2.8567000000e-03 -1.4797000000e-03  3.5725000000e-03 -9.6020000000e-04 -1.2613000000e-03 -9.0300000000e-04  4.6822000000e-03 -1.3015000000e-03 -5.1460000000e-04 -1.7856000000e-03  3.4638000000e-03  1.3748000000e-03 -2.9406000000e-03 -2.1609000000e-03
-
-JOB 87
-COORDS -1.1453780000e+00  1.8811350000e+00  3.4097020000e+00 -8.9115900000e-01  2.3675310000e+00  2.6254670000e+00 -1.0148780000e+00  9.6235600000e-01  3.1750800000e+00  1.1460550000e+00 -1.8813620000e+00 -3.3880050000e+00  1.3524510000e+00 -1.0137640000e+00 -3.0402890000e+00  4.1988900000e-01 -2.1904610000e+00 -2.8463660000e+00
-ENERGY -1.526537701157e+02
-FORCES  1.5535000000e-03 -1.6827000000e-03 -3.9850000000e-03 -1.0251000000e-03 -2.0973000000e-03  3.1191000000e-03 -5.2070000000e-04  3.7553000000e-03  8.1410000000e-04 -2.0920000000e-03  2.1942000000e-03  3.4544000000e-03 -9.0770000000e-04 -3.5309000000e-03 -1.2928000000e-03  2.9920000000e-03  1.3615000000e-03 -2.1098000000e-03
-
-JOB 88
-COORDS  3.6687440000e+00  2.3713070000e+00 -1.4540600000e-01  3.9639870000e+00  2.1180020000e+00 -1.0199920000e+00  3.8287420000e+00  1.5978190000e+00  3.9528700000e-01 -3.6628840000e+00 -2.2956880000e+00  2.2688800000e-01 -4.2123460000e+00 -1.7110820000e+00 -2.9518500000e-01 -3.6646570000e+00 -3.1219080000e+00 -2.5642300000e-01
-ENERGY -1.526540743003e+02
-FORCES  1.7435000000e-03 -4.2654000000e-03 -1.2895000000e-03 -1.1759000000e-03  1.0615000000e-03  3.5278000000e-03 -5.5770000000e-04  3.1882000000e-03 -2.2364000000e-03 -2.2954000000e-03 -8.9750000000e-04 -4.0880000000e-03  2.2357000000e-03 -2.4383000000e-03  2.1159000000e-03  4.9700000000e-05  3.3515000000e-03  1.9702000000e-03
-
-JOB 89
-COORDS  8.6487200000e-01 -8.9978700000e-01  4.4522050000e+00  7.4941700000e-01  4.9225000000e-02  4.4999270000e+00  1.4291780000e+00 -1.0349120000e+00  3.6909350000e+00 -9.4939400000e-01  8.5957500000e-01 -4.3850870000e+00 -5.0780200000e-01  1.0405000000e-02 -4.3968140000e+00 -3.2153700000e-01  1.4621020000e+00 -4.7838200000e+00
-ENERGY -1.526540637947e+02
-FORCES  1.7349000000e-03  3.3607000000e-03 -2.9477000000e-03  5.2290000000e-04 -3.8808000000e-03 -1.6400000000e-04 -2.2461000000e-03  5.2030000000e-04  3.1078000000e-03  4.2857000000e-03 -1.0409000000e-03 -1.7876000000e-03 -1.7597000000e-03  3.4961000000e-03  1.0410000000e-04 -2.5377000000e-03 -2.4554000000e-03  1.6873000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1072000000e-02  5.4350000000e-03  9.5695300000e-01 -8.0836300000e-01  4.4158200000e-01 -2.6035700000e-01 -1.5916600000e-01 -2.4531700000e+00 -1.2824940000e+00 -9.5676200000e-01 -2.9274050000e+00 -1.0476040000e+00 -2.7467000000e-01 -1.5841580000e+00 -8.9816700000e-01
-ENERGY -1.526590379395e+02
-FORCES -3.8940000000e-04 -4.5460000000e-04  3.4503000000e-03 -9.7440000000e-04  7.1160000000e-04 -5.1318000000e-03  3.7092000000e-03 -5.8133000000e-03  9.0170000000e-04  9.5800000000e-05  1.0423100000e-02  7.0457000000e-03  2.1801000000e-03  2.9679000000e-03  1.9320000000e-04 -4.6213000000e-03 -7.8346000000e-03 -6.4591000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1057000000e-02 -6.5277000000e-02 -9.5490800000e-01  7.6690100000e-01 -4.9773600000e-01  2.8346800000e-01  2.0020790000e+00 -1.4819810000e+00  1.0659470000e+00  1.8608250000e+00 -1.5690290000e+00  2.0086570000e+00  2.7846180000e+00 -9.3600600000e-01  9.8994000000e-01
-ENERGY -1.526603820547e+02
-FORCES  1.0845000000e-02 -1.0184700000e-02  4.2425000000e-03  1.6711000000e-03 -3.5330000000e-04  3.0278000000e-03 -5.8897000000e-03  8.2666000000e-03 -4.7549000000e-03 -2.5994000000e-03  3.1405000000e-03  2.8576000000e-03  1.8549000000e-03  1.0096000000e-03 -5.1091000000e-03 -5.8818000000e-03 -1.8788000000e-03 -2.6380000000e-04
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2766200000e-01  5.3770900000e-01 -3.1242300000e-01  1.4300600000e-01 -7.2433000000e-02  9.4368100000e-01  1.6812600000e-01 -1.1507800000e-01  2.7788000000e+00  8.5339800000e-01  4.3507500000e-01  3.1582300000e+00  1.3169800000e-01 -8.8172900000e-01  3.3507700000e+00
-ENERGY -1.526604230958e+02
-FORCES  1.9585000000e-03  1.4570000000e-04  1.1936300000e-02 -1.7707000000e-03 -1.3062000000e-03  2.2842000000e-03  8.4110000000e-04  1.4399000000e-03 -1.0287300000e-02  1.0464000000e-03 -1.5970000000e-03  3.1710000000e-04 -3.0012000000e-03 -3.3469000000e-03 -2.5030000000e-03  9.2580000000e-04  4.6646000000e-03 -1.7473000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7734200000e-01  4.5648400000e-01 -3.2185900000e-01 -8.9033000000e-02 -8.9181900000e-01 -3.3610000000e-01 -2.0499370000e+00  1.2310460000e+00 -1.0319190000e+00 -2.8325830000e+00  8.4580700000e-01 -6.3785400000e-01 -2.0921470000e+00  2.1570880000e+00 -7.9339000000e-01
-ENERGY -1.526578483627e+02
-FORCES -1.6420400000e-02  9.1526000000e-03 -1.0757900000e-02  5.6677000000e-03 -4.8534000000e-03  6.1123000000e-03 -1.5896000000e-03  2.6089000000e-03  7.6970000000e-04  6.5383000000e-03 -2.5123000000e-03  5.6072000000e-03  6.0101000000e-03  1.6130000000e-03 -1.3299000000e-03 -2.0610000000e-04 -6.0089000000e-03 -4.0140000000e-04
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4608000000e-01 -4.7944000000e-02 -9.4477200000e-01 -8.8507200000e-01 -3.4289800000e-01  1.2369600000e-01  2.1959510000e+00 -1.2673510000e+00  1.3677470000e+00  1.3725360000e+00 -8.3142300000e-01  1.1482310000e+00  2.8674480000e+00 -7.4955800000e-01  9.2366000000e-01
-ENERGY -1.526606486198e+02
-FORCES -9.9740000000e-04 -2.7737000000e-03 -3.9289000000e-03 -1.3562000000e-03  6.6310000000e-04  4.4050000000e-03  4.7066000000e-03  1.3071000000e-03 -8.3160000000e-04 -6.8713000000e-03  7.4391000000e-03 -6.1548000000e-03  6.0323000000e-03 -4.7016000000e-03  5.7124000000e-03 -1.5140000000e-03 -1.9339000000e-03  7.9790000000e-04
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4546600000e-01 -8.9307200000e-01 -3.1224000000e-01  9.7083000000e-02 -5.9257000000e-02  9.5041900000e-01 -2.0906230000e+00  1.3024250000e+00 -9.2486200000e-01 -1.3375160000e+00  8.3156900000e-01 -5.6799300000e-01 -1.8277240000e+00  1.5360570000e+00 -1.8151040000e+00
-ENERGY -1.526594007511e+02
-FORCES -8.1080000000e-03  2.0160000000e-03 -1.7669000000e-03 -3.2810000000e-04  4.7102000000e-03  2.4352000000e-03 -6.1280000000e-04 -9.1280000000e-04 -5.4743000000e-03  1.6318500000e-02 -8.5008000000e-03  5.1621000000e-03 -7.3923000000e-03  4.4250000000e-03 -2.6089000000e-03  1.2260000000e-04 -1.7376000000e-03  2.2529000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0036000000e-02  9.5410000000e-03  9.5526800000e-01 -6.5976000000e-02 -9.2753500000e-01 -2.2706200000e-01 -1.0257400000e-01 -2.5040890000e+00 -1.1507390000e+00 -9.1630000000e-02 -2.6000660000e+00 -2.1030520000e+00 -6.4302800000e-01 -3.2314700000e+00 -8.4242400000e-01
-ENERGY -1.526607197881e+02
-FORCES  1.6020000000e-04 -1.1219800000e-02 -3.5460000000e-03 -6.2860000000e-04 -1.7788000000e-03 -3.0148000000e-03 -5.2700000000e-05  8.4155000000e-03  6.0127000000e-03 -1.3838000000e-03  2.5952000000e-03 -2.4491000000e-03 -7.4510000000e-04 -1.6520000000e-03  4.7021000000e-03  2.6499000000e-03  3.6399000000e-03 -1.7048000000e-03
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0721800000e-01 -4.1912400000e-01 -4.9031700000e-01  7.8284900000e-01 -4.9828300000e-01 -2.3471900000e-01  2.2319790000e+00 -1.1268560000e+00 -1.0651540000e+00  2.1490180000e+00 -2.0061360000e+00 -6.9608100000e-01  2.9488290000e+00 -7.2666300000e-01 -5.7301300000e-01
-ENERGY -1.526580243261e+02
-FORCES  1.1771300000e-02 -6.7013000000e-03 -9.7433000000e-03  2.5649000000e-03  1.8130000000e-04  1.5076000000e-03 -6.8472000000e-03  6.3020000000e-04  7.9881000000e-03  8.9190000000e-04  1.4200000000e-03  2.4021000000e-03 -2.8217000000e-03  7.1068000000e-03 -4.4240000000e-04 -5.5592000000e-03 -2.6370000000e-03 -1.7120000000e-03
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5648100000e-01  2.0781300000e-01  5.4843600000e-01  7.2664300000e-01  4.7473200000e-01  4.0354800000e-01  2.2348520000e+00  1.2688450000e+00  1.1658730000e+00  2.9840030000e+00  9.1004400000e-01  6.9020000000e-01  2.1758520000e+00  2.1774300000e+00  8.7053400000e-01
-ENERGY -1.526613655289e+02
-FORCES  8.1840000000e-03  5.4537000000e-03  8.0547000000e-03  2.6485000000e-03  2.8350000000e-04 -1.4502000000e-03 -8.4679000000e-03 -3.5199000000e-03 -6.6353000000e-03  3.2099000000e-03  1.0169000000e-03 -2.8119000000e-03 -4.7315000000e-03  2.4727000000e-03  1.9819000000e-03 -8.4300000000e-04 -5.7069000000e-03  8.6090000000e-04
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9468000000e-02  8.8724800000e-01 -3.5029600000e-01 -7.9960700000e-01 -4.4276600000e-01 -2.8428700000e-01 -2.2585510000e+00 -1.3081390000e+00 -1.0871810000e+00 -2.1379920000e+00 -1.3783690000e+00 -2.0341580000e+00 -3.0852000000e+00 -8.3654000000e-01 -9.8481800000e-01
-ENERGY -1.526608511910e+02
-FORCES -1.0486400000e-02 -3.8949000000e-03 -5.2111000000e-03 -4.2570000000e-04 -2.7656000000e-03  5.5510000000e-04  8.3422000000e-03  5.7354000000e-03  3.8910000000e-03 -1.1683000000e-03  1.1199000000e-03 -3.0937000000e-03 -1.2705000000e-03  1.3854000000e-03  5.0379000000e-03  5.0087000000e-03 -1.5802000000e-03 -1.1792000000e-03
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8042300000e-01 -1.8764000000e-02  9.3985500000e-01  3.0739200000e-01 -8.4800600000e-01 -3.2035700000e-01 -2.5168570000e+00  1.0626380000e+00 -1.0165380000e+00 -2.4782040000e+00  2.0056350000e+00 -8.5686800000e-01 -1.6699010000e+00  7.3338500000e-01 -7.1572400000e-01
-ENERGY -1.526619334538e+02
-FORCES  9.2200000000e-04 -3.5012000000e-03  2.3900000000e-03 -1.2570000000e-04 -3.9630000000e-04 -4.6373000000e-03 -1.1459000000e-03  3.9837000000e-03  2.4989000000e-03  9.2743000000e-03 -8.8050000000e-04  3.6478000000e-03  5.9100000000e-05 -2.8671000000e-03  7.7100000000e-05 -8.9838000000e-03  3.6615000000e-03 -3.9766000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7616100000e-01 -2.8814200000e-01 -2.5602200000e-01  9.5783000000e-02  8.6331700000e-01 -4.0217000000e-01 -2.1658010000e+00 -1.1345410000e+00 -8.3751700000e-01 -2.9251350000e+00 -6.3840300000e-01 -5.3175300000e-01 -2.2706370000e+00 -2.0006740000e+00 -4.4374900000e-01
-ENERGY -1.526571267597e+02
-FORCES -1.7202000000e-02 -9.1953000000e-03 -8.8100000000e-03  5.4064000000e-03  6.7071000000e-03  5.0984000000e-03 -2.8545000000e-03 -2.7008000000e-03  5.4620000000e-04  8.5406000000e-03  1.1805000000e-03  5.4973000000e-03  6.7265000000e-03 -1.5577000000e-03 -5.0750000000e-04 -6.1700000000e-04  5.5662000000e-03 -1.8244000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6666400000e-01  4.6376400000e-01 -5.0666900000e-01  8.3190500000e-01  3.0386900000e-01 -3.6308200000e-01 -2.2226600000e+00  1.3777930000e+00 -8.0939400000e-01 -3.0603540000e+00  9.4304700000e-01 -6.4971400000e-01 -2.3081180000e+00  2.2287460000e+00 -3.7950000000e-01
-ENERGY -1.526608162993e+02
-FORCES -9.2514000000e-03  6.6074000000e-03 -5.2351000000e-03  9.0988000000e-03 -4.9770000000e-03  1.9227000000e-03 -3.6347000000e-03  5.8760000000e-04  6.5480000000e-04  8.0880000000e-04 -1.5097000000e-03  5.5642000000e-03  3.5330000000e-03  3.2855000000e-03 -4.8980000000e-04 -5.5450000000e-04 -3.9939000000e-03 -2.4168000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5037200000e-01  9.4151800000e-01 -8.4638000000e-02 -8.1083500000e-01 -4.0155900000e-01 -3.1229600000e-01  2.3382510000e+00 -1.3811950000e+00 -6.3142600000e-01  1.5618370000e+00 -8.8996400000e-01 -3.6290300000e-01  2.2525400000e+00 -2.2259040000e+00 -1.8943900000e-01
-ENERGY -1.526612863113e+02
-FORCES  2.1540000000e-04  5.9360000000e-04 -3.0620000000e-03 -7.9740000000e-04 -4.8592000000e-03  1.5010000000e-04  3.6848000000e-03  2.5850000000e-03  1.8568000000e-03 -1.0382000000e-02  4.8792000000e-03  4.5665000000e-03  8.1123000000e-03 -5.6541000000e-03 -2.0909000000e-03 -8.3300000000e-04  2.4554000000e-03 -1.4204000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9774500000e-01  3.5665800000e-01 -3.9068000000e-01  4.6835000000e-02  2.5919500000e-01  9.2024800000e-01 -7.7037000000e-02 -2.4091580000e+00 -1.2062720000e+00 -3.7604000000e-02 -1.5140000000e+00 -8.6956800000e-01  5.7312600000e-01 -2.8878270000e+00 -6.9207800000e-01
-ENERGY -1.526581423061e+02
-FORCES  4.5280000000e-04 -4.8976000000e-03  1.3946000000e-03 -4.3126000000e-03 -4.8453000000e-03  2.0835000000e-03  1.3053000000e-03  8.0700000000e-05 -4.9797000000e-03  5.3240000000e-04  1.2404200000e-02  1.0197100000e-02  3.4071000000e-03 -4.4967000000e-03 -7.4963000000e-03 -1.3851000000e-03  1.7548000000e-03 -1.1993000000e-03
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6297100000e-01 -3.8290100000e-01  4.3300600000e-01  8.9886000000e-02  9.4201100000e-01  1.4411200000e-01 -2.3574600000e+00 -8.1769200000e-01  1.1877080000e+00 -2.2948380000e+00 -1.7009970000e+00  8.2427600000e-01 -1.5407570000e+00 -3.9225400000e-01  9.2649700000e-01
-ENERGY -1.526596097908e+02
-FORCES  1.1280000000e-03  4.0990000000e-04  1.8236000000e-03 -4.8450000000e-03  2.1056000000e-03 -1.8917000000e-03 -1.6723000000e-03 -6.0851000000e-03  9.6080000000e-04  1.3006200000e-02  1.4247000000e-03 -9.0476000000e-03 -3.7920000000e-04  1.6806000000e-03  1.7472000000e-03 -7.2378000000e-03  4.6420000000e-04  6.4077000000e-03
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6475600000e-01 -1.3398300000e-01  9.3334700000e-01  4.4985000000e-02 -8.7738300000e-01 -3.8001100000e-01  4.8154800000e-01 -2.6450350000e+00 -7.3760200000e-01  5.2249900000e-01 -2.7195150000e+00 -1.6910210000e+00 -3.5770500000e-01 -3.0403780000e+00 -5.0182700000e-01
-ENERGY -1.526596594857e+02
-FORCES  5.0407000000e-03 -1.4072400000e-02 -8.8140000000e-04 -1.2613000000e-03  4.2570000000e-04 -2.2979000000e-03 -5.4339000000e-03  8.5820000000e-03  6.4750000000e-04 -1.2934000000e-03 -1.2565000000e-03 -2.0124000000e-03 -1.4047000000e-03  1.5379000000e-03  5.6552000000e-03  4.3525000000e-03  4.7834000000e-03 -1.1110000000e-03
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0204200000e-01 -3.0947100000e-01 -4.2093800000e-01 -6.9966500000e-01 -5.0122200000e-01 -4.1890000000e-01  2.0382720000e+00 -1.4786500000e+00 -9.8060500000e-01  2.8419780000e+00 -1.0829770000e+00 -6.4336200000e-01  2.0638930000e+00 -2.3814650000e+00 -6.6358700000e-01
-ENERGY -1.526585661921e+02
-FORCES  1.0129400000e-02 -1.1193100000e-02 -8.4372000000e-03 -2.6929000000e-03  7.8964000000e-03  3.5284000000e-03  1.3727000000e-03  9.1420000000e-04  1.6688000000e-03 -3.9935000000e-03 -6.5710000000e-04  6.2234000000e-03 -6.0212000000e-03 -1.1888000000e-03 -8.2770000000e-04  1.2054000000e-03  4.2283000000e-03 -2.1557000000e-03
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7615000000e-02 -2.7137900000e-01  9.1668900000e-01 -8.2725600000e-01  4.7693500000e-01 -6.6431000000e-02  2.6836300000e-01 -2.6081570000e+00 -1.0678710000e+00  1.7460100000e-01 -1.6643750000e+00 -9.3858300000e-01 -5.5831200000e-01 -2.9764010000e+00 -7.5604100000e-01
-ENERGY -1.526603832772e+02
-FORCES -1.7032000000e-03 -5.5990000000e-04  3.8398000000e-03 -1.5625000000e-03  1.3416000000e-03 -5.1225000000e-03  3.7767000000e-03 -3.5121000000e-03  8.2670000000e-04 -3.7416000000e-03  1.0961500000e-02  3.8726000000e-03  8.5300000000e-04 -9.5756000000e-03 -3.1442000000e-03  2.3776000000e-03  1.3446000000e-03 -2.7240000000e-04
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3877200000e-01 -2.4761500000e-01  3.8907500000e-01  9.4376000000e-02 -2.1182900000e-01 -9.2868400000e-01  2.2957060000e+00 -8.0660700000e-01  1.3287330000e+00  2.2923110000e+00 -7.7545200000e-01  2.2854200000e+00  3.1195230000e+00 -3.8868800000e-01  1.0779310000e+00
-ENERGY -1.526611927938e+02
-FORCES  1.0878300000e-02 -5.1441000000e-03  4.5010000000e-03 -7.9684000000e-03  3.8645000000e-03 -6.0182000000e-03  1.0785000000e-03  6.4800000000e-04  2.8891000000e-03 -9.8520000000e-04  2.4597000000e-03  2.2176000000e-03  1.5267000000e-03  1.5760000000e-04 -4.9276000000e-03 -4.5299000000e-03 -1.9857000000e-03  1.3381000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9951700000e-01 -2.9488100000e-01  4.3594600000e-01  8.4164000000e-02  9.2017800000e-01  2.4984200000e-01 -1.3556100000e-01  1.5148600000e-01 -2.5778640000e+00  2.6354000000e-02  1.9329100000e-01 -1.6353850000e+00  6.0926700000e-01 -3.3734400000e-01 -2.9278760000e+00
-ENERGY -1.526573004441e+02
-FORCES -5.3894000000e-03 -6.1990000000e-04 -1.0385900000e-02  4.7009000000e-03  2.8502000000e-03 -7.9210000000e-04 -1.2235000000e-03 -5.4665000000e-03 -4.8085000000e-03  2.1320000000e-03 -3.8080000000e-03  2.1058100000e-02  1.4082000000e-03  5.8937000000e-03 -7.5885000000e-03 -1.6283000000e-03  1.1506000000e-03  2.5169000000e-03
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6951500000e-01  7.5535000000e-02  9.1536200000e-01  2.6280000000e-03  9.0051600000e-01 -3.2449300000e-01 -2.3616150000e+00 -1.5925460000e+00 -1.1110570000e+00 -1.4851200000e+00 -1.2194370000e+00 -1.0173660000e+00 -2.2699400000e+00 -2.4980400000e+00 -8.1456400000e-01
-ENERGY -1.526609837388e+02
-FORCES -1.2059000000e-03  5.2554000000e-03  4.0731000000e-03  1.8509000000e-03 -1.4570000000e-04 -4.2498000000e-03 -1.9910000000e-04 -4.3243000000e-03  1.7013000000e-03  7.6097000000e-03  8.1480000000e-04  2.6273000000e-03 -7.7998000000e-03 -4.7716000000e-03 -3.7253000000e-03 -2.5580000000e-04  3.1713000000e-03 -4.2660000000e-04
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7398200000e-01 -2.3364300000e-01 -3.1272800000e-01  1.3127700000e-01  8.9828700000e-01 -3.0344600000e-01 -2.2360790000e+00 -1.1469350000e+00 -1.0106770000e+00 -2.6384520000e+00 -1.9892890000e+00 -7.9909400000e-01 -2.5119400000e+00 -9.6826800000e-01 -1.9096820000e+00
-ENERGY -1.526596618070e+02
-FORCES -1.1147300000e-02 -4.5077000000e-03 -4.8638000000e-03  6.8212000000e-03  5.8751000000e-03  2.5862000000e-03 -1.8250000000e-03 -3.1211000000e-03 -4.2420000000e-04  4.6475000000e-03 -9.6540000000e-04  1.1744000000e-03  6.7190000000e-04  3.8906000000e-03 -2.9633000000e-03  8.3170000000e-04 -1.1715000000e-03  4.4907000000e-03
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5848000000e-02 -2.6018500000e-01 -9.1946500000e-01  8.7510700000e-01  3.2549800000e-01  2.1088200000e-01  2.3375010000e+00  9.1048300000e-01  8.5383700000e-01  2.4210650000e+00  8.3339600000e-01  1.8042610000e+00  3.2055810000e+00  6.8754300000e-01  5.1773200000e-01
-ENERGY -1.526594851110e+02
-FORCES  1.5565100000e-02  5.8573000000e-03  3.5187000000e-03  1.7512000000e-03  1.0329000000e-03  2.6052000000e-03 -8.4607000000e-03 -3.2561000000e-03 -2.6777000000e-03 -5.6858000000e-03 -4.8763000000e-03 -5.1080000000e-04  1.0289000000e-03  2.6250000000e-04 -5.3964000000e-03 -4.1986000000e-03  9.7960000000e-04  2.4609000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1671200000e-01 -2.9574200000e-01 -4.0218200000e-01  6.8512100000e-01 -3.0958700000e-01 -5.9245000000e-01  2.1516610000e+00 -9.9979400000e-01 -1.3737460000e+00  2.3977250000e+00 -1.0085000000e+00 -2.2987370000e+00  2.0696330000e+00 -1.9240090000e+00 -1.1385250000e+00
-ENERGY -1.526602524808e+02
-FORCES  9.0460000000e-03 -3.7619000000e-03 -8.6712000000e-03  3.3695000000e-03 -4.4900000000e-05  3.8530000000e-04 -8.7243000000e-03  6.9930000000e-04  6.1320000000e-03 -1.2231000000e-03 -1.1415000000e-03 -4.3600000000e-04 -1.3658000000e-03 -1.3049000000e-03  4.8142000000e-03 -1.1023000000e-03  5.5539000000e-03 -2.2243000000e-03
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2323000000e-02  7.8160000000e-03  9.5573700000e-01 -7.6152800000e-01  5.4319000000e-01 -2.0310600000e-01 -2.0105170000e+00  1.2472710000e+00 -9.4041300000e-01 -2.6787010000e+00  8.0758300000e-01 -4.1464000000e-01 -1.9890170000e+00  2.1422320000e+00 -6.0157100000e-01
-ENERGY -1.526538241936e+02
-FORCES -1.7852500000e-02  1.2176800000e-02 -9.8160000000e-03 -3.6601000000e-03  2.0485000000e-03 -3.5391000000e-03  4.4705000000e-03 -4.1842000000e-03  8.7960000000e-03  7.3942000000e-03 -5.1286000000e-03  4.6787000000e-03  7.9293000000e-03  2.4204000000e-03 -5.3310000000e-04  1.7185000000e-03 -7.3329000000e-03  4.1350000000e-04
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4046700000e-01 -6.1666500000e-01 -3.5462400000e-01  6.0572000000e-02 -1.1025700000e-01  9.4889700000e-01 -1.2783300000e-01  2.6633500000e+00 -9.2817000000e-01 -1.8980400000e-01  1.7851480000e+00 -5.5246700000e-01  6.8202000000e-01  3.0227410000e+00 -5.6594200000e-01
-ENERGY -1.526607721385e+02
-FORCES  2.8818000000e-03 -9.8760000000e-04 -4.5970000000e-04 -2.8803000000e-03  2.3687000000e-03  3.3192000000e-03  6.7760000000e-04  1.0591000000e-03 -5.0902000000e-03  2.7868000000e-03 -1.0966200000e-02  4.6570000000e-03 -1.3162000000e-03  9.7748000000e-03 -1.6686000000e-03 -2.1498000000e-03 -1.2488000000e-03 -7.5770000000e-04
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0590000000e-02  3.5104100000e-01 -8.9044300000e-01 -1.2629500000e-01  7.6513100000e-01  5.6112000000e-01 -2.2506210000e+00 -1.4571730000e+00  1.2422120000e+00 -2.2159210000e+00 -2.2758860000e+00  7.4750300000e-01 -1.5524280000e+00 -9.2040000000e-01  8.6720100000e-01
-ENERGY -1.526606079157e+02
-FORCES  8.9920000000e-04  4.7411000000e-03 -2.8990000000e-03  4.4370000000e-04 -1.2845000000e-03  4.6084000000e-03 -1.5832000000e-03 -5.5835000000e-03 -2.9009000000e-03  8.4548000000e-03  9.8790000000e-04 -6.6870000000e-03 -7.9800000000e-04  2.2020000000e-03  1.4232000000e-03 -7.4166000000e-03 -1.0629000000e-03  6.4552000000e-03
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3298700000e-01 -3.9927200000e-01  4.6855500000e-01  7.7968000000e-01 -3.6703600000e-01  4.1667100000e-01  2.4102090000e+00 -5.5911500000e-01  1.1905160000e+00  2.5393850000e+00 -4.9060300000e-01  2.1364810000e+00  3.1373000000e+00 -6.4421000000e-02  8.1256200000e-01
-ENERGY -1.526606982355e+02
-FORCES  1.0328000000e-02 -4.0886000000e-03  6.7223000000e-03  3.1793000000e-03  9.2170000000e-04 -1.4820000000e-04 -9.0336000000e-03  1.1858000000e-03 -4.6825000000e-03 -1.7032000000e-03  4.7492000000e-03 -4.7870000000e-04  1.3630000000e-04 -1.7580000000e-04 -4.6076000000e-03 -2.9067000000e-03 -2.5923000000e-03  3.1947000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1725600000e-01 -5.3030300000e-01 -3.4720900000e-01  7.6817700000e-01 -2.7989100000e-01 -4.9779100000e-01  2.2447020000e+00 -6.2914900000e-01 -1.0736320000e+00  2.4228470000e+00 -7.6857700000e-01 -2.0037160000e+00  3.0557940000e+00 -2.5736000000e-01 -7.2702900000e-01
-ENERGY -1.526574963453e+02
-FORCES  1.7509400000e-02 -5.8835000000e-03 -8.5887000000e-03  3.7128000000e-03  7.0630000000e-04 -9.6000000000e-04 -7.3840000000e-03  1.0213000000e-03  2.2685000000e-03 -1.0487500000e-02  5.8196000000e-03  6.1315000000e-03 -3.0170000000e-04  8.6390000000e-04  5.1172000000e-03 -3.0489000000e-03 -2.5276000000e-03 -3.9685000000e-03
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2573600000e-01  3.0182200000e-01 -3.7854400000e-01  2.1242300000e-01 -7.9440500000e-01 -4.8992700000e-01  2.1036630000e+00  1.3940920000e+00 -7.2454300000e-01  2.1788600000e+00  2.2858730000e+00 -3.8497700000e-01  1.2672070000e+00  1.0772440000e+00 -3.8369000000e-01
-ENERGY -1.526594419977e+02
-FORCES  6.0262000000e-03  9.7010000000e-04 -5.8240000000e-03  5.4695000000e-03 -8.0860000000e-04  1.4021000000e-03 -2.1831000000e-03  5.0465000000e-03  2.3320000000e-03 -1.4273000000e-02 -8.3777000000e-03  6.7697000000e-03 -2.8739000000e-03 -3.0453000000e-03 -2.2920000000e-04  7.8343000000e-03  6.2150000000e-03 -4.4506000000e-03
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6629800000e-01  4.4751400000e-01 -3.5881800000e-01 -2.7760000000e-03 -8.5811500000e-01 -4.2410200000e-01 -4.1982400000e-01 -2.2532190000e+00 -1.3524030000e+00 -6.6100000000e-01 -2.2191610000e+00 -2.2780950000e+00 -1.1761670000e+00 -2.6517220000e+00 -9.2185500000e-01
-ENERGY -1.526583615907e+02
-FORCES -4.1463000000e-03 -1.4261500000e-02 -1.1494200000e-02  1.4411000000e-03 -1.1965000000e-03  7.9790000000e-04  8.1740000000e-04  5.5133000000e-03  6.5415000000e-03 -1.3953000000e-03  7.0210000000e-03  1.7982000000e-03 -4.0390000000e-04 -5.9720000000e-04  5.2422000000e-03  3.6869000000e-03  3.5209000000e-03 -2.8856000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5190200000e-01  1.1021500000e-01 -9.1685900000e-01 -7.7443000000e-01 -3.7644600000e-01  4.1806500000e-01  7.9972000000e-02  2.6954670000e+00  8.5946500000e-01  1.1626200000e-01  1.8340780000e+00  4.4362400000e-01  9.2362800000e-01  3.0975600000e+00  6.5259100000e-01
-ENERGY -1.526608664679e+02
-FORCES -4.6239000000e-03 -2.1052000000e-03  4.2410000000e-04  1.5445000000e-03  1.9421000000e-03  5.8966000000e-03  3.9161000000e-03  2.0465000000e-03 -3.1691000000e-03  2.8715000000e-03 -1.1086800000e-02 -2.9697000000e-03 -1.1527000000e-03  1.1312700000e-02  6.7300000000e-05 -2.5555000000e-03 -2.1093000000e-03 -2.4920000000e-04
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1111300000e-01  1.7543100000e-01 -8.8806800000e-01  2.3141500000e-01 -9.1510000000e-01  1.5896800000e-01  2.2757600000e-01 -2.7113340000e+00  7.9142100000e-01  3.2003200000e-01 -2.8723520000e+00  1.7304400000e+00  9.8441400000e-01 -3.1455090000e+00  3.9782000000e-01
-ENERGY -1.526604498535e+02
-FORCES  6.5680000000e-04 -1.0644000000e-02  1.2411000000e-03 -3.3270000000e-04 -2.1096000000e-03  2.8716000000e-03  1.6384000000e-03  1.0219800000e-02 -4.4675000000e-03  1.4172000000e-03 -1.2990000000e-03  3.9048000000e-03  2.5630000000e-04 -1.7300000000e-04 -5.1498000000e-03 -3.6360000000e-03  4.0058000000e-03  1.5997000000e-03
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1966900000e-01  3.3533100000e-01 -3.6321900000e-01  6.8246600000e-01  5.0790000000e-01 -4.3875900000e-01  2.5765600000e-01 -2.4514850000e+00 -1.0931230000e+00  1.3166600000e-01 -1.9818610000e+00 -1.9176300000e+00  3.4720300000e-01 -1.7618460000e+00 -4.3539100000e-01
-ENERGY -1.526570937862e+02
-FORCES -2.0028000000e-03 -3.5070000000e-03 -5.8744000000e-03  5.0554000000e-03 -9.5720000000e-04  6.9800000000e-04 -3.9665000000e-03 -4.2023000000e-03  8.2690000000e-04 -2.3711000000e-03  1.6940400000e-02  5.4149000000e-03  1.7250000000e-04 -1.1939000000e-03  9.6350000000e-04  3.1124000000e-03 -7.0800000000e-03 -2.0289000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1357200000e-01  8.6832000000e-02  9.0020200000e-01 -1.4479400000e-01 -9.3927500000e-01 -1.1414500000e-01 -2.0208310000e+00  3.8703670000e+00  2.3037700000e-01 -2.8534850000e+00  4.2508540000e+00 -4.9173000000e-02 -1.3563380000e+00  4.4645160000e+00 -1.1843400000e-01
-ENERGY -1.526534144754e+02
-FORCES  3.8000000000e-05 -2.8634000000e-03  3.6615000000e-03 -7.5570000000e-04 -7.5620000000e-04 -3.7625000000e-03  6.0710000000e-04  3.7766000000e-03  3.2950000000e-04 -4.0080000000e-04  3.3887000000e-03 -3.2228000000e-03  3.3066000000e-03 -1.4783000000e-03  1.2678000000e-03 -2.7951000000e-03 -2.0673000000e-03  1.7265000000e-03
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0059300000e-01 -6.9927000000e-02  9.4932800000e-01  7.8175200000e-01  4.6998100000e-01 -2.9019600000e-01  2.5219400000e-01  1.0020400000e-01  2.5805880000e+00  4.2423300000e-01 -7.0203600000e-01  3.0735860000e+00 -5.5949900000e-01  4.4256100000e-01  2.9549910000e+00
-ENERGY -1.526587998626e+02
-FORCES  4.3607000000e-03  1.7764000000e-03  2.1056300000e-02 -2.1253000000e-03 -1.1321000000e-03 -8.4365000000e-03 -1.6493000000e-03 -1.2041000000e-03  1.5757000000e-03 -3.3362000000e-03 -7.8840000000e-04 -9.2876000000e-03 -1.9272000000e-03  4.5442000000e-03 -3.0893000000e-03  4.6774000000e-03 -3.1960000000e-03 -1.8185000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7054000000e-02  5.3556000000e-02  9.5498200000e-01 -9.8290000000e-03 -9.3860000000e-01 -1.8752600000e-01 -1.9840090000e+00  1.6940130000e+00 -1.0607810000e+00 -2.7792940000e+00  1.2077400000e+00 -8.4331400000e-01 -1.2692050000e+00  1.1014710000e+00 -8.2801400000e-01
-ENERGY -1.526609155367e+02
-FORCES -1.2605000000e-03 -9.1450000000e-04  2.7320000000e-03 -2.9090000000e-04 -1.6665000000e-03 -4.8802000000e-03 -7.2430000000e-04  4.7497000000e-03  1.7565000000e-03  7.0427000000e-03 -9.0930000000e-03  4.9469000000e-03  2.3848000000e-03  1.0246000000e-03 -3.5030000000e-04 -7.1518000000e-03  5.8997000000e-03 -4.2049000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2628000000e-01 -5.5341600000e-01  2.8719300000e-01  8.5596000000e-02  7.9806600000e-01  5.2153200000e-01  4.7631600000e-01  2.4216800000e+00  1.3874660000e+00 -2.0719900000e-01  2.8886030000e+00  9.0681900000e-01  1.2950460000e+00  2.7220110000e+00  9.9285800000e-01
-ENERGY -1.526604460912e+02
-FORCES  4.3008000000e-03  8.5279000000e-03  9.2056000000e-03 -1.5700000000e-03  2.0359000000e-03 -1.1239000000e-03 -3.5987000000e-03 -6.4794000000e-03 -7.7720000000e-03  1.3890000000e-03  3.4305000000e-03 -3.6891000000e-03  4.0602000000e-03 -5.1881000000e-03  1.6006000000e-03 -4.5812000000e-03 -2.3268000000e-03  1.7788000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3620300000e-01 -4.1212000000e-02  9.4656300000e-01 -4.0756000000e-01  8.2442200000e-01 -2.6543500000e-01  2.3134530000e+00 -1.3479890000e+00 -1.2735730000e+00  1.6024830000e+00 -9.4103500000e-01 -7.7845500000e-01  2.1483480000e+00 -2.2881140000e+00 -1.2018980000e+00
-ENERGY -1.526615859398e+02
-FORCES -2.1185000000e-03  4.1492000000e-03  1.2704000000e-03  4.4860000000e-04  3.2070000000e-04 -4.6573000000e-03  1.0234000000e-03 -3.6898000000e-03  2.6780000000e-03 -7.9576000000e-03  1.5599000000e-03  3.6436000000e-03  8.2012000000e-03 -5.2609000000e-03 -3.2084000000e-03  4.0290000000e-04  2.9209000000e-03  2.7370000000e-04
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6148000000e-01  4.7169000000e-01 -3.3747400000e-01  1.3213000000e-02 -8.1946800000e-01 -4.9449900000e-01  1.0940500000e-01 -1.9886000000e-02  2.7252860000e+00  9.7724000000e-02 -9.8241000000e-02  1.7713700000e+00  2.3073700000e-01 -9.1630500000e-01  3.0382450000e+00
-ENERGY -1.526603977412e+02
-FORCES -2.9346000000e-03 -3.1940000000e-04  2.1936000000e-03  4.0479000000e-03 -3.4540000000e-03  9.8590000000e-04 -8.0430000000e-04  4.1212000000e-03  2.9605000000e-03  1.7000000000e-04 -1.6644000000e-03 -1.4273200000e-02 -1.2000000000e-04 -7.5210000000e-04  1.0602800000e-02 -3.5900000000e-04  2.0686000000e-03 -2.4697000000e-03
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6068000000e-02 -1.2259500000e-01 -9.4863100000e-01 -8.3178500000e-01 -3.5012400000e-01  3.1902800000e-01  6.4107000000e-02  1.0458000000e-02 -2.7889940000e+00  9.7374000000e-01 -1.0578200000e-01 -3.0633780000e+00 -1.7477500000e-01  8.7933800000e-01 -3.1118180000e+00
-ENERGY -1.526618750953e+02
-FORCES -1.9519000000e-03 -1.5437000000e-03 -1.2280700000e-02  4.8560000000e-04 -3.1280000000e-04  1.1159500000e-02  2.1012000000e-03  1.2592000000e-03 -2.0631000000e-03  2.5211000000e-03  3.9192000000e-03  4.0550000000e-04 -4.8864000000e-03  1.2836000000e-03  1.6616000000e-03  1.7304000000e-03 -4.6056000000e-03  1.1172000000e-03
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.8134000000e-02  8.4149000000e-01  4.4552900000e-01  8.4941600000e-01 -4.2829600000e-01  1.0624300000e-01  2.1621340000e+00 -1.3029450000e+00  1.2223600000e+00  3.0287340000e+00 -9.1057700000e-01  1.1161380000e+00  2.2977490000e+00 -2.2346440000e+00  1.0497980000e+00
-ENERGY -1.526592308109e+02
-FORCES  1.0001300000e-02 -3.7696000000e-03  7.9161000000e-03 -6.5800000000e-05 -1.9599000000e-03 -1.7063000000e-03 -5.4947000000e-03  4.2956000000e-03 -6.4362000000e-03  1.1781000000e-03 -2.5184000000e-03  2.7890000000e-04 -5.4799000000e-03 -1.4070000000e-03 -3.8900000000e-04 -1.3910000000e-04  5.3594000000e-03  3.3650000000e-04
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3818100000e-01  6.2118800000e-01  4.9063100000e-01 -8.7727600000e-01  9.7861000000e-02  3.7019200000e-01  4.2684000000e-02  1.1651000000e-02 -2.4973380000e+00 -4.7110000000e-03 -2.4254000000e-02 -1.5419870000e+00 -7.8187800000e-01  4.1851600000e-01 -2.7634050000e+00
-ENERGY -1.526538667045e+02
-FORCES  7.7750000000e-04  3.0955000000e-03 -2.0271000000e-02 -4.6855000000e-03 -3.3224000000e-03 -1.4662000000e-03  5.1200000000e-03  1.0185000000e-03 -3.0915000000e-03 -6.7380000000e-04  6.1950000000e-04  2.7897000000e-02 -1.8696000000e-03 -3.3580000000e-04 -6.4695000000e-03  1.3315000000e-03 -1.0752000000e-03  3.4012000000e-03
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0021600000e-01  3.0817000000e-02  9.5144000000e-01  7.2025200000e-01  6.0266800000e-01 -1.8509500000e-01 -2.0984290000e+00  1.2862460000e+00 -9.5691600000e-01 -2.7653950000e+00  6.4238000000e-01 -7.1853300000e-01 -1.2903910000e+00  9.4926800000e-01 -5.6993700000e-01
-ENERGY -1.526572379866e+02
-FORCES -3.7300000000e-03  4.1303000000e-03 -7.2140000000e-04 -1.0496000000e-03  1.1580000000e-03 -6.3859000000e-03 -6.9920000000e-03 -1.8870000000e-03  1.1421000000e-03  1.4639900000e-02 -1.3546200000e-02  6.9115000000e-03  1.7129000000e-03  1.7104000000e-03  3.4830000000e-04 -4.5814000000e-03  8.4345000000e-03 -1.2946000000e-03
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6682000000e-02 -1.5171200000e-01  9.4339900000e-01 -1.2294500000e-01  9.4554300000e-01 -8.4054000000e-02  2.2152080000e+00 -1.1458520000e+00 -1.0462230000e+00  2.1849040000e+00 -2.0236210000e+00 -6.6565300000e-01  1.4064170000e+00 -7.2798900000e-01 -7.5045200000e-01
-ENERGY -1.526599669757e+02
-FORCES  5.3458000000e-03  8.0880000000e-04  6.3930000000e-04  1.0470000000e-04  7.0940000000e-04 -5.3101000000e-03  7.2990000000e-04 -5.0595000000e-03  1.4870000000e-03 -1.4279200000e-02  4.9665000000e-03  5.8205000000e-03 -6.2970000000e-04  2.9521000000e-03  1.8820000000e-04  8.7284000000e-03 -4.3773000000e-03 -2.8249000000e-03
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1109400000e-01 -4.4450700000e-01 -2.4651800000e-01  6.9195400000e-01 -5.1721400000e-01 -4.1221600000e-01 -2.5251300000e-01  2.9430700000e-01  2.8184720000e+00 -1.4028700000e-01  3.0039000000e-02  1.9053460000e+00 -1.5224800000e-01  1.2461710000e+00  2.8068870000e+00
-ENERGY -1.526613676043e+02
-FORCES -4.5100000000e-05 -2.4978000000e-03 -2.4052000000e-03  4.9731000000e-03  1.8246000000e-03  2.5870000000e-03 -4.1915000000e-03  2.2627000000e-03  2.0388000000e-03  2.5105000000e-03  2.2472000000e-03 -1.2433500000e-02 -2.8255000000e-03 -1.3389000000e-03  9.4346000000e-03 -4.2160000000e-04 -2.4978000000e-03  7.7840000000e-04
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9911000000e-01 -5.0988700000e-01 -1.3293300000e-01  7.0582300000e-01 -5.8251300000e-01 -2.8057900000e-01 -2.1307970000e+00 -1.3541020000e+00 -3.9674600000e-01 -2.3887400000e+00 -1.4905900000e+00 -1.3083760000e+00 -2.9113130000e+00 -9.9088400000e-01  2.1701000000e-02
-ENERGY -1.526572219138e+02
-FORCES -1.8845500000e-02 -1.4213400000e-02 -3.5042000000e-03  6.2013000000e-03  4.8804000000e-03  1.6366000000e-03 -3.0924000000e-03  5.1240000000e-04 -4.2760000000e-04  1.0711200000e-02  9.7365000000e-03  5.6160000000e-04  7.0500000000e-04  8.1260000000e-04  5.3903000000e-03  4.3204000000e-03 -1.7285000000e-03 -3.6567000000e-03
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3828900000e-01 -8.9445300000e-01  2.4372800000e-01 -7.8254400000e-01  1.8940600000e-01  5.1767000000e-01  1.4075900000e-01 -2.4734500000e+00  1.3944690000e+00  9.7697700000e-01 -2.8441540000e+00  1.1124250000e+00  1.7822300000e-01 -2.4967590000e+00  2.3506510000e+00
-ENERGY -1.526587675113e+02
-FORCES -3.3890000000e-03 -1.0604300000e-02  8.3905000000e-03  3.8665000000e-03  4.3653000000e-03 -6.3512000000e-03  1.8717000000e-03  1.3675000000e-03 -1.5439000000e-03  2.2008000000e-03  1.1821000000e-03  3.7417000000e-03 -4.4518000000e-03  4.4625000000e-03  4.1510000000e-04 -9.8300000000e-05 -7.7300000000e-04 -4.6521000000e-03
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5128900000e-01 -5.2341400000e-01  2.7898700000e-01  6.8959000000e-02  8.0849800000e-01  5.0774800000e-01  1.9027500000e-01  2.5301820000e+00  7.4021400000e-01 -5.4189600000e-01  2.9168590000e+00  2.5996400000e-01  9.4380700000e-01  3.0719850000e+00  5.0596900000e-01
-ENERGY -1.526588834153e+02
-FORCES  3.3576000000e-03  1.5275400000e-02  6.0698000000e-03 -1.2762000000e-03  3.1568000000e-03 -4.0230000000e-04 -3.0644000000e-03 -8.7038000000e-03 -1.7615000000e-03  7.9140000000e-04 -6.6101000000e-03 -7.4275000000e-03  4.4295000000e-03 -1.6993000000e-03  2.5601000000e-03 -4.2378000000e-03 -1.4191000000e-03  9.6140000000e-04
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3685000000e-02  2.6273500000e-01 -9.1886900000e-01 -8.9629300000e-01 -2.4188500000e-01  2.3320200000e-01  2.4061600000e+00 -1.4843020000e+00  7.3391300000e-01  1.6711970000e+00 -9.0113800000e-01  5.4422500000e-01  3.1815410000e+00 -9.8329100000e-01  4.8092400000e-01
-ENERGY -1.526614923193e+02
-FORCES -3.7865000000e-03 -1.6326000000e-03 -2.0458000000e-03 -4.3300000000e-05 -1.0755000000e-03  4.4904000000e-03  3.5615000000e-03  1.9221000000e-03 -2.2982000000e-03 -6.1012000000e-03  6.4703000000e-03 -2.2343000000e-03  9.3174000000e-03 -4.5457000000e-03  2.0130000000e-03 -2.9479000000e-03 -1.1385000000e-03  7.4900000000e-05
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1938000000e-01 -3.0083900000e-01  3.9286700000e-01  9.5929000000e-02  9.0189000000e-01  3.0598100000e-01  2.3139360000e+00  3.7844560000e+00 -2.5245400000e-01  3.2068110000e+00  3.5636390000e+00  1.2585000000e-02  2.1445290000e+00  4.6324250000e+00  1.5801200000e-01
-ENERGY -1.526552692320e+02
-FORCES -2.4351000000e-03  3.3343000000e-03  2.3522000000e-03  3.2222000000e-03  1.1679000000e-03 -1.4957000000e-03 -1.3227000000e-03 -4.8920000000e-03 -5.3850000000e-04  3.9268000000e-03  2.9526000000e-03  2.1313000000e-03 -3.8799000000e-03  1.1536000000e-03 -8.9870000000e-04  4.8870000000e-04 -3.7163000000e-03 -1.5507000000e-03
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3030000000e-03 -6.4522000000e-02  9.5500200000e-01 -8.4050500000e-01  4.0837300000e-01 -2.0740200000e-01 -1.2631500000e-01  3.9066800000e-01  2.8134970000e+00 -5.0296000000e-02 -5.0661200000e-01  3.1380600000e+00 -9.9155900000e-01  6.7862600000e-01  3.1044710000e+00
-ENERGY -1.526588556975e+02
-FORCES -2.7916000000e-03  4.5737000000e-03  1.2143700000e-02  6.9300000000e-04 -5.8545000000e-03 -8.1438000000e-03  2.0355000000e-03 -1.2646000000e-03  4.9020000000e-04 -3.3536000000e-03 -1.2830000000e-04  2.2582000000e-03 -8.7780000000e-04  4.7220000000e-03 -4.8445000000e-03  4.2945000000e-03 -2.0483000000e-03 -1.9037000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5182000000e-02 -1.0147500000e-01  9.5168500000e-01  6.2639400000e-01 -6.5797700000e-01 -3.0154300000e-01 -2.3543100000e-01  2.4707910000e+00 -9.2754700000e-01 -2.3527400000e-01  1.5928440000e+00 -5.4618100000e-01  5.0124000000e-01  2.9149490000e+00 -5.0770000000e-01
-ENERGY -1.526587773823e+02
-FORCES  1.9226000000e-03  6.3701000000e-03 -3.6613000000e-03  1.3382000000e-03  9.5020000000e-04 -5.3187000000e-03 -3.0110000000e-03  2.3918000000e-03  3.7231000000e-03  3.7187000000e-03 -1.5995700000e-02  6.4498000000e-03 -2.2205000000e-03  8.1446000000e-03 -7.3000000000e-04 -1.7479000000e-03 -1.8610000000e-03 -4.6290000000e-04
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7844200000e-01 -9.3643600000e-01  8.6473000000e-02  7.8117200000e-01  1.4573000000e-01  5.3363300000e-01 -1.7351400000e-01 -2.2722300000e-01 -2.7107140000e+00 -2.6879100000e-01 -1.1642580000e+00 -2.8813590000e+00 -6.8790000000e-03 -1.7035700000e-01 -1.7698470000e+00
-ENERGY -1.526576334136e+02
-FORCES  2.0521000000e-03 -1.4163000000e-03 -6.4170000000e-04  2.3381000000e-03  5.3450000000e-03 -4.8670000000e-03 -4.5318000000e-03 -1.7869000000e-03 -2.5334000000e-03  1.5312000000e-03  1.5141000000e-03  1.3673200000e-02  3.1030000000e-04  2.6085000000e-03  3.0835000000e-03 -1.7000000000e-03 -6.2645000000e-03 -8.7147000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1214100000e-01  2.2039200000e-01  9.2470700000e-01  7.5430600000e-01  3.9783900000e-01 -4.3471600000e-01  7.5009000000e-02 -2.5345130000e+00 -1.1392500000e+00 -7.9890300000e-01 -2.9247150000e+00 -1.1233670000e+00 -2.8878000000e-02 -1.6949090000e+00 -6.9147200000e-01
-ENERGY -1.526617013336e+02
-FORCES  3.4500000000e-03 -5.0890000000e-04  9.7340000000e-04 -5.3300000000e-05 -2.3690000000e-04 -4.8710000000e-03 -3.9226000000e-03 -2.7582000000e-03  3.1087000000e-03 -3.4340000000e-03  1.0664000000e-02  5.8438000000e-03  2.3039000000e-03  1.7048000000e-03  7.1130000000e-04  1.6560000000e-03 -8.8648000000e-03 -5.7663000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3480400000e-01 -5.9065300000e-01  4.0544400000e-01 -1.1187100000e-01  8.2878800000e-01  4.6564700000e-01  1.7064000000e-02 -5.3385000000e-02 -2.8409160000e+00 -8.2966000000e-02 -8.0111000000e-02 -1.8893320000e+00  1.7789000000e-01  8.6907300000e-01 -3.0395060000e+00
-ENERGY -1.526607283762e+02
-FORCES -2.0717000000e-03  1.3249000000e-03  1.8955000000e-03  3.0337000000e-03  3.7145000000e-03 -2.4813000000e-03  1.3170000000e-04 -4.3475000000e-03 -2.1493000000e-03  1.0730000000e-03  3.0042000000e-03  1.1931100000e-02 -1.5907000000e-03 -1.3980000000e-03 -1.0027600000e-02 -5.7600000000e-04 -2.2981000000e-03  8.3170000000e-04
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5261600000e-01 -4.0335900000e-01 -4.3255400000e-01  7.6079600000e-01 -4.2217300000e-01 -3.9898800000e-01  1.8249270000e+00 -1.6003570000e+00 -1.2504210000e+00  1.9724300000e+00 -1.7756700000e+00 -2.1797980000e+00  1.8365610000e+00 -2.4642820000e+00 -8.3843700000e-01
-ENERGY -1.526599410455e+02
-FORCES  7.8588000000e-03 -9.2580000000e-03 -9.1011000000e-03  1.3823000000e-03  9.7390000000e-04  1.3300000000e-03 -4.3477000000e-03  4.4325000000e-03  5.5337000000e-03 -3.6070000000e-03  6.3620000000e-04  6.7790000000e-04 -9.2620000000e-04 -9.0280000000e-04  4.8366000000e-03 -3.6030000000e-04  4.1181000000e-03 -3.2771000000e-03
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5361100000e-01 -8.0742400000e-01  4.9061400000e-01  6.9774800000e-01  5.9021300000e-01  2.8465400000e-01  3.2601900000e-01 -2.2871640000e+00  1.4061200000e+00  1.1180960000e+00 -2.8187810000e+00  1.3272000000e+00  1.6233000000e-01 -2.2387650000e+00  2.3479780000e+00
-ENERGY -1.526602402204e+02
-FORCES  3.4377000000e-03 -1.2230100000e-02  8.5274000000e-03 -9.7070000000e-04  8.7134000000e-03 -4.7977000000e-03 -1.5596000000e-03 -2.5186000000e-03  6.2000000000e-06  8.0010000000e-04  3.4367000000e-03 -5.7000000000e-04 -3.9333000000e-03  3.1541000000e-03  1.7186000000e-03  2.2257000000e-03 -5.5560000000e-04 -4.8844000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0419200000e-01 -9.0123800000e-01  3.0519800000e-01  7.7713600000e-01  4.5473200000e-01  3.2482400000e-01  2.0827260000e+00  1.2870990000e+00  7.4073800000e-01  2.8096500000e+00  7.8329000000e-01  3.7469200000e-01  2.0663250000e+00  2.0936830000e+00  2.2558200000e-01
-ENERGY -1.526564548410e+02
-FORCES  1.9540100000e-02  1.1758200000e-02  9.4801000000e-03  2.3832000000e-03  3.0143000000e-03 -4.9290000000e-04 -6.3009000000e-03 -5.1674000000e-03 -5.3426000000e-03 -9.8133000000e-03 -5.6794000000e-03 -7.4221000000e-03 -5.8258000000e-03  1.9782000000e-03  1.4690000000e-03  1.6700000000e-05 -5.9039000000e-03  2.3085000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8932000000e-02 -1.8106800000e-01 -9.3738700000e-01 -6.7610600000e-01 -5.4664100000e-01  4.0036900000e-01  2.4679620000e+00 -1.0031500000e+00  6.1474600000e-01  1.7236210000e+00 -5.0461600000e-01  2.7762200000e-01  3.2309790000e+00 -6.1312600000e-01  1.8822900000e-01
-ENERGY -1.526600080182e+02
-FORCES -5.9240000000e-04 -5.8459000000e-03  1.6114000000e-03  2.6984000000e-03  3.8520000000e-04  5.4667000000e-03  2.4775000000e-03  3.1351000000e-03 -3.3648000000e-03 -1.0991100000e-02  6.5948000000e-03 -2.1212000000e-03  1.0613000000e-02 -4.0260000000e-03 -1.5538000000e-03 -4.2054000000e-03 -2.4330000000e-04 -3.8400000000e-05
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3851000000e-02  9.5302000000e-02 -9.4874600000e-01 -8.3991000000e-01  3.0108100000e-01  3.4660200000e-01 -2.3402540000e+00  1.1144780000e+00  6.9501600000e-01 -3.1911910000e+00  8.4241600000e-01  3.5132800000e-01 -2.1376750000e+00  1.9219690000e+00  2.2262700000e-01
-ENERGY -1.526584718569e+02
-FORCES -1.6045000000e-02  5.0010000000e-03  2.8435000000e-03 -5.2810000000e-04  8.2200000000e-04  2.6174000000e-03  9.1464000000e-03 -3.6410000000e-04 -3.2227000000e-03  2.9377000000e-03 -1.5820000000e-03 -4.0630000000e-03  4.7253000000e-03  2.5845000000e-03  7.3470000000e-04 -2.3630000000e-04 -6.4613000000e-03  1.0902000000e-03
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2310000000e-01  2.8830900000e-01 -8.8506300000e-01  8.1918200000e-01  4.5272600000e-01  2.0052900000e-01  1.8489940000e+00  3.6737700000e+00 -2.3376800000e-01  1.8156570000e+00  3.5966710000e+00 -1.1872750000e+00  1.7811110000e+00  2.7728370000e+00  8.2370000000e-02
-ENERGY -1.526518122303e+02
-FORCES  1.5826000000e-03  2.1087000000e-03 -2.8291000000e-03  1.5426000000e-03 -1.0362000000e-03  3.9606000000e-03 -2.8808000000e-03 -2.2200000000e-05 -1.1620000000e-03 -3.2550000000e-04 -2.9838000000e-03 -2.5038000000e-03 -4.5100000000e-05 -1.6560000000e-04  4.2908000000e-03  1.2630000000e-04  2.0989000000e-03 -1.7564000000e-03
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7814000000e-02  1.7180300000e-01 -9.3755200000e-01 -3.4690000000e-03 -9.5464900000e-01  6.9756000000e-02  5.2214000000e-01 -1.3544000000e-02 -2.7442650000e+00 -2.9100600000e-01  4.0806500000e-01 -3.0222450000e+00  1.2148770000e+00  5.3574000000e-01 -3.1111900000e+00
-ENERGY -1.526596636820e+02
-FORCES  4.3881000000e-03 -3.9161000000e-03 -1.3219200000e-02 -5.9006000000e-03  3.1405000000e-03  7.1065000000e-03 -4.3350000000e-04  2.5716000000e-03  5.8610000000e-04  1.5258000000e-03  2.4356000000e-03 -1.0711000000e-03  4.8369000000e-03 -1.7184000000e-03  5.0756000000e-03 -4.4166000000e-03 -2.5131000000e-03  1.5221000000e-03
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9788000000e-02 -2.1126200000e-01 -9.3338600000e-01  7.4892700000e-01 -4.8899700000e-01  3.4091200000e-01 -2.2444110000e+00 -8.9820100000e-01  1.1383050000e+00 -2.9602290000e+00 -4.3808900000e-01  6.9997300000e-01 -1.4506290000e+00 -5.4654900000e-01  7.3521300000e-01
-ENERGY -1.526597917657e+02
-FORCES -3.2307000000e-03 -5.2469000000e-03  1.3019000000e-03 -3.9440000000e-04  7.3560000000e-04  5.4920000000e-03 -4.6163000000e-03  2.1950000000e-03 -2.6457000000e-03  1.3770500000e-02  8.1860000000e-03 -7.7293000000e-03  3.0065000000e-03 -1.0269000000e-03 -1.5680000000e-04 -8.5356000000e-03 -4.8428000000e-03  3.7379000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0424700000e-01 -5.6890000000e-02  9.4980400000e-01  8.0153500000e-01  5.0846800000e-01 -1.2342700000e-01  2.4134290000e+00  1.1952740000e+00 -5.3460100000e-01  2.5550100000e+00  1.2689220000e+00 -1.4784030000e+00  3.2589440000e+00  9.1219300000e-01 -1.8646000000e-01
-ENERGY -1.526608094456e+02
-FORCES  1.2099800000e-02  6.2987000000e-03  1.0100000000e-05  1.4759000000e-03  2.4860000000e-04 -2.5250000000e-03 -9.3791000000e-03 -3.3384000000e-03  8.5270000000e-04 -9.2280000000e-04 -4.4836000000e-03 -9.2190000000e-04  1.1810000000e-04 -6.6950000000e-04  5.1597000000e-03 -3.3919000000e-03  1.9443000000e-03 -2.5755000000e-03
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1786000000e-02  1.7508800000e-01 -9.3902000000e-01  7.2257600000e-01  5.5150900000e-01  2.9992300000e-01  2.0199800000e+00  1.3267830000e+00  1.1961570000e+00  2.0991430000e+00  1.4290210000e+00  2.1445830000e+00  2.6507630000e+00  6.4157800000e-01  9.7516200000e-01
-ENERGY -1.526595485012e+02
-FORCES  8.8689000000e-03  9.4810000000e-03  5.8966000000e-03  2.2061000000e-03  2.7980000000e-04  3.2999000000e-03 -3.0746000000e-03 -7.7265000000e-03 -7.1978000000e-03 -3.7073000000e-03 -4.3707000000e-03  2.6948000000e-03  1.5711000000e-03 -8.9050000000e-04 -4.7564000000e-03 -5.8642000000e-03  3.2269000000e-03  6.2900000000e-05
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5936400000e-01 -3.7599000000e-02  9.4309100000e-01 -1.8777600000e-01 -9.0526200000e-01 -2.4793700000e-01 -1.9944600000e-01 -1.4257200000e-01  2.5730430000e+00 -8.9033000000e-01  4.7963100000e-01  2.8005830000e+00 -4.6427800000e-01 -9.6004900000e-01  2.9947390000e+00
-ENERGY -1.526567525580e+02
-FORCES -1.5858000000e-03 -4.2480000000e-03  2.1392100000e-02  1.1029000000e-03  2.3155000000e-03 -7.2014000000e-03  2.4660000000e-04  1.8511000000e-03  1.5120000000e-03 -3.4176000000e-03 -8.8100000000e-05 -1.3255500000e-02  3.5100000000e-03 -4.2455000000e-03 -2.1550000000e-04  1.4400000000e-04  4.4150000000e-03 -2.2317000000e-03
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8761100000e-01 -5.2346100000e-01 -4.1159700000e-01  8.1702700000e-01 -3.9308200000e-01 -3.0689700000e-01  2.2380960000e+00 -1.4322430000e+00 -8.6452000000e-01  2.1364910000e+00 -1.5137920000e+00 -1.8128120000e+00  2.2190550000e+00 -2.3335320000e+00 -5.4273100000e-01
-ENERGY -1.526601417556e+02
-FORCES  9.8176000000e-03 -8.2879000000e-03 -4.7228000000e-03  2.4086000000e-03  9.8310000000e-04  7.3810000000e-04 -8.8195000000e-03  5.6500000000e-03  1.5074000000e-03 -1.7616000000e-03 -3.1445000000e-03 -3.7090000000e-04 -1.2697000000e-03  3.0680000000e-04  5.7098000000e-03 -3.7540000000e-04  4.4926000000e-03 -2.8616000000e-03
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2102200000e-01 -1.1847000000e-02  9.4944500000e-01 -8.5746700000e-01  2.4442200000e-01 -3.4819500000e-01  2.0539420000e+00  1.1699420000e+00 -1.2114800000e+00  1.2969540000e+00  7.0897600000e-01 -8.4993900000e-01  2.0980140000e+00  1.9863300000e+00 -7.1368300000e-01
-ENERGY -1.526588919351e+02
-FORCES  5.3826000000e-03  4.5592000000e-03 -1.0643000000e-03 -1.1964000000e-03  7.0590000000e-04 -5.0563000000e-03  4.9420000000e-03 -5.4990000000e-04  2.7116000000e-03 -1.3615300000e-02 -6.2411000000e-03  1.0111200000e-02  4.9969000000e-03  3.6776000000e-03 -5.9444000000e-03 -5.0980000000e-04 -2.1517000000e-03 -7.5770000000e-04
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6300000000e-04 -2.0460200000e-01  9.3507700000e-01  8.3757200000e-01 -3.3530400000e-01 -3.1980500000e-01  2.3548460000e+00 -1.1258900000e+00 -1.1364430000e+00  2.2380480000e+00 -1.0097750000e+00 -2.0793680000e+00  3.1937020000e+00 -7.0644800000e-01 -9.4507800000e-01
-ENERGY -1.526617337013e+02
-FORCES  9.8458000000e-03 -6.1142000000e-03 -1.7278000000e-03  8.1780000000e-04  6.8010000000e-04 -2.7073000000e-03 -9.0015000000e-03  5.4493000000e-03  3.3722000000e-03  1.9807000000e-03  1.7418000000e-03 -3.2966000000e-03  9.5130000000e-04  1.5660000000e-04  5.4685000000e-03 -4.5941000000e-03 -1.9136000000e-03 -1.1090000000e-03
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0186400000e-01  6.0308900000e-01 -2.4475100000e-01  8.0315400000e-01  4.4216400000e-01 -2.7507600000e-01  4.4395200000e-01 -2.5290390000e+00 -8.8080500000e-01 -2.7166900000e-01 -3.1417450000e+00 -7.1136400000e-01  8.8222000000e-02 -1.6728400000e+00 -6.4287500000e-01
-ENERGY -1.526607005485e+02
-FORCES  2.7860000000e-03 -5.5130000000e-04 -2.8613000000e-03  3.8832000000e-03 -3.2322000000e-03  8.9810000000e-04 -5.3468000000e-03 -1.8170000000e-03  9.5710000000e-04 -4.4455000000e-03  1.1838800000e-02  5.7636000000e-03  1.1045000000e-03  3.1695000000e-03 -2.1080000000e-04  2.0186000000e-03 -9.4078000000e-03 -4.5468000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3280500000e-01  3.6123700000e-01  4.9873500000e-01 -1.1285200000e-01 -9.4858700000e-01  6.0655000000e-02 -3.1083300000e-01 -2.6140850000e+00  7.6122100000e-01 -3.6457500000e-01 -2.6118580000e+00  1.7169080000e+00 -1.0218280000e+00 -3.1910370000e+00  4.8221600000e-01
-ENERGY -1.526598489051e+02
-FORCES -3.9072000000e-03 -1.3534500000e-02  4.5597000000e-03  1.9856000000e-03 -1.1827000000e-03 -7.4700000000e-04  9.7660000000e-04  8.7431000000e-03 -3.2265000000e-03 -1.0418000000e-03  2.8738000000e-03  2.2417000000e-03 -1.1884000000e-03 -5.0810000000e-04 -5.1075000000e-03  3.1752000000e-03  3.6085000000e-03  2.2796000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7356300000e-01  2.2347300000e-01  3.2121400000e-01 -6.3067000000e-02  9.2012000000e-02 -9.5067800000e-01  1.7616800000e-01 -2.7775730000e+00  8.9039000000e-01  2.6464100000e-01 -2.5927100000e+00  1.8253920000e+00  2.2006700000e-01 -1.9184150000e+00  4.7068400000e-01
-ENERGY -1.526612941453e+02
-FORCES -4.3121000000e-03  2.4862000000e-03 -2.2322000000e-03  4.7044000000e-03 -1.5781000000e-03 -1.6699000000e-03 -1.4570000000e-04 -1.2576000000e-03  5.1468000000e-03  1.3453000000e-03  1.1143000000e-02 -5.0360000000e-04 -9.8210000000e-04 -6.5160000000e-04 -2.5605000000e-03 -6.0980000000e-04 -1.0142000000e-02  1.8193000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9945000000e-02 -1.0648800000e-01 -9.4868300000e-01  9.4120300000e-01  4.8931000000e-02  1.6725600000e-01  2.4223810000e+00  8.1824900000e-01  6.8050400000e-01  3.2861530000e+00  5.0566100000e-01  4.1139800000e-01  2.4738060000e+00  8.7376200000e-01  1.6347080000e+00
-ENERGY -1.526587888058e+02
-FORCES  1.5566000000e-02  5.6518000000e-03  1.7487000000e-03  1.8660000000e-03  2.9510000000e-04  2.5988000000e-03 -8.1245000000e-03 -4.5760000000e-03 -1.5612000000e-03 -4.9137000000e-03 -1.5460000000e-03  1.3527000000e-03 -5.1049000000e-03  1.3050000000e-03  1.4809000000e-03  7.1110000000e-04 -1.1298000000e-03 -5.6200000000e-03
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9037000000e-02  8.1753000000e-02 -9.5042200000e-01  2.8066800000e-01 -8.9560700000e-01  1.8800100000e-01 -1.7551050000e+00  1.0904810000e+00 -3.4454020000e+00 -1.8618830000e+00  1.1130050000e+00 -4.3963610000e+00 -2.0158580000e+00  1.9641210000e+00 -3.1538680000e+00
-ENERGY -1.526563451504e+02
-FORCES  6.1050000000e-04 -3.2669000000e-03 -4.2455000000e-03  1.1267000000e-03 -5.2040000000e-04  5.5590000000e-03 -9.0930000000e-04  3.4029000000e-03 -5.5130000000e-04 -2.5836000000e-03  4.0857000000e-03 -3.0697000000e-03  3.9560000000e-04 -2.1400000000e-05  3.9659000000e-03  1.3602000000e-03 -3.6799000000e-03 -1.6584000000e-03
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8835700000e-01  2.2116300000e-01  2.7953600000e-01  5.6582000000e-01  5.5260000000e-01  5.3917900000e-01 -3.7004000000e-02 -2.8939190000e+00  6.1536000000e-01 -9.4332700000e-01 -3.1455610000e+00  4.3791900000e-01 -4.1740000000e-03 -1.9583860000e+00  4.1553100000e-01
-ENERGY -1.526607369587e+02
-FORCES -1.2140000000e-04  5.1713000000e-03  3.0011000000e-03  4.6331000000e-03 -2.9765000000e-03 -9.7300000000e-04 -3.5378000000e-03 -2.5082000000e-03 -2.6128000000e-03 -1.3434000000e-03  8.7625000000e-03 -3.7088000000e-03  2.4780000000e-03  1.7505000000e-03  7.8350000000e-04 -2.1085000000e-03 -1.0199500000e-02  3.5100000000e-03
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1974000000e-02  1.1392900000e-01 -9.4593500000e-01 -1.7971900000e-01  8.6656500000e-01  3.6468900000e-01  2.3390900000e+00 -1.1841900000e+00  8.5648400000e-01  1.4855680000e+00 -1.0086700000e+00  4.6034700000e-01  2.4596580000e+00 -2.1286580000e+00  7.5812300000e-01
-ENERGY -1.526608076973e+02
-FORCES  3.1765000000e-03  3.9601000000e-03  1.2753000000e-03  8.9610000000e-04 -7.3530000000e-04  4.8462000000e-03 -4.5890000000e-04 -3.6261000000e-03 -3.3870000000e-03 -1.0388600000e-02  3.4444000000e-03 -3.1028000000e-03  8.7912000000e-03 -6.3051000000e-03  1.2374000000e-03 -2.0163000000e-03  3.2619000000e-03 -8.6910000000e-04
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4834200000e-01 -5.8343900000e-01  1.2575800000e-01 -2.9649000000e-01  8.4622500000e-01  3.3500500000e-01  1.6692000000e-01  2.8448030000e+00  7.4921200000e-01  2.3624700000e-01  2.8474400000e+00  1.7038950000e+00  1.0347040000e+00  3.1103950000e+00  4.4484100000e-01
-ENERGY -1.526607242317e+02
-FORCES -2.4991000000e-03  6.8357000000e-03  1.4791000000e-03  2.2265000000e-03  3.1775000000e-03  3.9620000000e-04 -1.1441000000e-03 -1.0588500000e-02 -5.3340000000e-04  6.4254000000e-03  1.9537000000e-03  1.0498000000e-03 -8.4580000000e-04 -1.2455000000e-03 -4.8285000000e-03 -4.1629000000e-03 -1.3310000000e-04  2.4369000000e-03
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3086000000e-02 -3.9574000000e-02 -9.5629200000e-01 -7.1359600000e-01  5.9687600000e-01  2.2528000000e-01 -1.6405000000e-02 -1.2908700000e-01 -2.9485520000e+00 -2.2347000000e-02 -8.9217700000e-01 -3.5263840000e+00  8.0551600000e-01  3.1818000000e-01 -3.1501220000e+00
-ENERGY -1.526618221582e+02
-FORCES -3.4056000000e-03  4.7870000000e-04 -8.8588000000e-03  2.2132000000e-03  2.3288000000e-03  1.0007600000e-02  2.2880000000e-03 -1.6929000000e-03 -8.2850000000e-04  2.4705000000e-03 -2.7027000000e-03 -3.9793000000e-03  7.5020000000e-04  4.3308000000e-03  1.6997000000e-03 -4.3162000000e-03 -2.7427000000e-03  1.9593000000e-03
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3219000000e-02  8.2530000000e-03 -9.5507400000e-01  8.7623100000e-01 -2.4617400000e-01  2.9639400000e-01 -2.3258800000e-01  2.7160960000e+00  8.3513100000e-01  1.2376000000e-01  2.7691250000e+00  1.7219430000e+00  1.3551000000e-02  1.8430710000e+00  5.2939400000e-01
-ENERGY -1.526595605982e+02
-FORCES  1.5399000000e-03 -2.5963000000e-03 -3.3215000000e-03  3.9750000000e-04  8.6440000000e-04  5.7806000000e-03 -4.7925000000e-03  4.1630000000e-03 -9.5100000000e-04  4.3770000000e-04 -1.1794000000e-02 -6.8490000000e-04 -4.1350000000e-04 -1.1539000000e-03 -2.9857000000e-03  2.8309000000e-03  1.0516800000e-02  2.1625000000e-03
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8468000000e-02 -9.0811800000e-01 -3.0201300000e-01  8.3828500000e-01  3.3998100000e-01 -3.1292800000e-01 -2.2670200000e-01 -2.4951560000e+00 -8.2182200000e-01 -2.2769700000e-01 -2.7153100000e+00 -1.7533600000e+00 -8.3320400000e-01 -3.1213880000e+00 -4.2657500000e-01
-ENERGY -1.526593931463e+02
-FORCES -4.0900000000e-05 -1.6452600000e-02 -5.3569000000e-03  1.6765000000e-03  8.3209000000e-03  2.3388000000e-03 -2.3205000000e-03 -2.3654000000e-03 -4.3420000000e-04 -2.0646000000e-03  8.1995000000e-03  2.1876000000e-03 -2.6480000000e-04  1.0400000000e-04  5.0409000000e-03  3.0143000000e-03  2.1936000000e-03 -3.7763000000e-03
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3544000000e-02 -8.6536100000e-01 -3.9828600000e-01 -7.9454200000e-01  3.6068000000e-01 -3.9350300000e-01 -6.5377000000e-02 -2.8919280000e+00 -8.4160900000e-01 -6.3430300000e-01 -3.4075550000e+00 -2.7004600000e-01  8.1950000000e-01 -3.0689150000e+00 -5.2238900000e-01
-ENERGY -1.526607874025e+02
-FORCES -3.6012000000e-03 -7.4216000000e-03 -5.1499000000e-03  3.4114000000e-03  8.5965000000e-03  3.4929000000e-03  2.2619000000e-03 -9.1510000000e-04  1.6123000000e-03 -1.9960000000e-04 -5.1528000000e-03  4.2612000000e-03  3.1169000000e-03  1.8884000000e-03 -3.0080000000e-03 -4.9893000000e-03  3.0047000000e-03 -1.2084000000e-03
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8688100000e-01 -4.3912600000e-01 -3.2282900000e-01 -9.3633000000e-02  9.0639200000e-01 -2.9311700000e-01 -2.2896110000e+00 -1.3794160000e+00 -5.6767000000e-01 -2.3317820000e+00 -1.0860380000e+00 -1.4778250000e+00 -3.1182560000e+00 -1.0920600000e+00 -1.8425700000e-01
-ENERGY -1.526576695401e+02
-FORCES -1.2558300000e-02 -6.0116000000e-03 -1.6794000000e-03  8.0758000000e-03  6.3220000000e-03 -4.0716000000e-03 -1.4975000000e-03 -3.5384000000e-03  1.1170000000e-04 -1.4668000000e-03  3.0079000000e-03  1.8812000000e-03  3.4949000000e-03  1.5583000000e-03  7.1303000000e-03  3.9518000000e-03 -1.3381000000e-03 -3.3721000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3183100000e-01 -8.7159200000e-01  3.7306700000e-01  8.4142400000e-01  2.8785100000e-01  3.5408800000e-01  2.4466190000e+00  9.0817200000e-01  7.8807700000e-01  3.2516840000e+00  4.4452500000e-01  5.5757200000e-01  2.6177070000e+00  1.8192630000e+00  5.4959500000e-01
-ENERGY -1.526608641832e+02
-FORCES  1.2818900000e-02  3.0205000000e-03  5.6028000000e-03  1.7748000000e-03  2.3289000000e-03 -9.2850000000e-04 -9.3982000000e-03 -2.8470000000e-03 -2.5377000000e-03 -1.9507000000e-03 -4.9690000000e-04 -4.4148000000e-03 -3.4480000000e-03  3.1258000000e-03  1.3246000000e-03  2.0330000000e-04 -5.1313000000e-03  9.5340000000e-04
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1245000000e-02  2.0278200000e-01  9.3456400000e-01  8.1649300000e-01 -4.6571300000e-01 -1.8078300000e-01 -3.4670000000e-01  2.1443000000e-01  2.6846340000e+00 -1.1032090000e+00 -2.7444200000e-01  3.0085620000e+00 -1.2445200000e-01  8.1294900000e-01  3.3978050000e+00
-ENERGY -1.526608567952e+02
-FORCES  5.4930000000e-04  5.2960000000e-04  1.2958600000e-02  1.7316000000e-03 -8.0950000000e-04 -8.9249000000e-03 -2.1955000000e-03  1.4292000000e-03  1.5444000000e-03 -2.3290000000e-03 -7.9430000000e-04 -3.4381000000e-03  4.0708000000e-03  3.2501000000e-03  5.6420000000e-04 -1.8273000000e-03 -3.6051000000e-03 -2.7042000000e-03
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5434000000e-02 -2.9433300000e-01 -9.0969000000e-01 -7.4330800000e-01 -4.2556700000e-01  4.2733900000e-01  2.1198900000e-01  2.6442580000e+00  5.8364600000e-01  2.6399100000e-01  1.6990420000e+00  4.4189000000e-01  9.1000500000e-01  3.0074360000e+00  3.8571000000e-02
-ENERGY -1.526603185725e+02
-FORCES -3.3214000000e-03  4.7500000000e-03 -1.0818000000e-03 -2.1680000000e-04  5.2060000000e-04  4.6806000000e-03  3.7177000000e-03  1.6476000000e-03 -3.1681000000e-03  8.7300000000e-04 -1.4051100000e-02 -4.2862000000e-03  1.0250000000e-03  9.2516000000e-03  3.2086000000e-03 -2.0775000000e-03 -2.1187000000e-03  6.4690000000e-04
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3536100000e-01 -5.7685000000e-02  9.4582300000e-01  1.1498000000e-01  9.3505000000e-01 -1.6939100000e-01  1.5949300000e-01  2.7614000000e-02  3.0043560000e+00 -5.0076300000e-01 -5.4608700000e-01  3.3931510000e+00  9.9586000000e-01 -3.5021600000e-01  3.2763220000e+00
-ENERGY -1.526614452470e+02
-FORCES  5.3850000000e-04  3.8033000000e-03  9.0317000000e-03 -1.8707000000e-03 -1.6720000000e-03 -9.7167000000e-03 -1.7910000000e-04 -2.9032000000e-03  2.1900000000e-05  2.6411000000e-03 -3.3843000000e-03  4.4799000000e-03  3.4717000000e-03  2.5136000000e-03 -3.1199000000e-03 -4.6016000000e-03  1.6425000000e-03 -6.9700000000e-04
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9878000000e-02  2.0538000000e-02  9.5510500000e-01  9.1963900000e-01 -1.9643400000e-01 -1.7863500000e-01  2.0727000000e-02 -3.0450100000e-01  2.8179920000e+00 -7.8148700000e-01 -8.2561700000e-01  2.8514920000e+00 -1.6160500000e-01  4.5276400000e-01  3.3743520000e+00
-ENERGY -1.526612411117e+02
-FORCES  4.3107000000e-03 -1.2939000000e-03  1.2211600000e-02 -3.6145000000e-03  3.1910000000e-04 -9.6527000000e-03 -2.5750000000e-03  6.6480000000e-04  9.9900000000e-05 -2.8415000000e-03  6.9500000000e-05  2.5155000000e-03  4.3644000000e-03  4.3568000000e-03 -1.7548000000e-03  3.5580000000e-04 -4.1162000000e-03 -3.4196000000e-03
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4339000000e-02 -8.5233000000e-01 -4.3538400000e-01  7.9447000000e-01  4.2273100000e-01 -3.2611000000e-01 -6.8187000000e-02  2.8139900000e-01  2.8796100000e+00 -2.0839600000e-01  2.1760700000e-01  1.9348860000e+00 -9.4356500000e-01  4.1297500000e-01  3.2437990000e+00
-ENERGY -1.526621467453e+02
-FORCES  3.8529000000e-03 -2.1287000000e-03 -2.0080000000e-03  5.3180000000e-04  4.4080000000e-03  1.2260000000e-03 -3.9629000000e-03 -2.7652000000e-03  1.0204000000e-03 -2.5598000000e-03 -6.2060000000e-04 -9.0444000000e-03 -3.1260000000e-04  1.8458000000e-03  1.0790200000e-02  2.4506000000e-03 -7.3930000000e-04 -1.9843000000e-03
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1878000000e-02 -1.3072500000e-01  9.4681100000e-01  6.0943000000e-01  7.1656900000e-01 -1.7707700000e-01 -3.0660000000e-03  1.8693100000e-01  3.2302400000e+00  3.0529900000e-01 -6.2426300000e-01  3.6341050000e+00  6.8905700000e-01  8.2304600000e-01  3.4106720000e+00
-ENERGY -1.526593636856e+02
-FORCES  1.1639000000e-03  2.7104000000e-03  6.8857000000e-03  1.5461000000e-03 -1.2316000000e-03 -9.2619000000e-03 -1.7457000000e-03 -2.3487000000e-03  6.1960000000e-04  3.1771000000e-03  2.0660000000e-04  6.5943000000e-03 -1.1490000000e-03  4.0816000000e-03 -2.8921000000e-03 -2.9925000000e-03 -3.4183000000e-03 -1.9456000000e-03
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4961800000e-01 -8.6210000000e-03  9.4539500000e-01  4.7788000000e-02 -9.2027100000e-01 -2.5893800000e-01 -2.3728760000e+00  1.2871100000e+00 -6.5229700000e-01 -3.1441380000e+00  8.6333900000e-01 -2.7572700000e-01 -1.6603180000e+00  6.6590400000e-01 -5.0198000000e-01
-ENERGY -1.526598861940e+02
-FORCES  5.3080000000e-04 -1.5310000000e-04  3.3965000000e-03 -9.4020000000e-04 -1.2623000000e-03 -5.1011000000e-03 -2.3638000000e-03  5.2564000000e-03  1.7569000000e-03  9.6660000000e-03 -6.6511000000e-03  3.4584000000e-03  3.5898000000e-03  2.9420000000e-04 -5.0280000000e-04 -1.0482500000e-02  2.5158000000e-03 -3.0079000000e-03
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0029800000e-01 -9.0600400000e-01 -2.3509600000e-01  8.4392700000e-01  4.5005900000e-01 -3.8293000000e-02 -2.5149300000e-01 -1.2988600000e-01  2.5867370000e+00 -3.6825500000e-01 -1.5404800000e-01  1.6369920000e+00  5.9326600000e-01  3.0194400000e-01  2.7137670000e+00
-ENERGY -1.526553010374e+02
-FORCES  3.8154000000e-03 -8.9590000000e-04  1.0823800000e-02 -1.0892000000e-03  5.4565000000e-03  3.7279000000e-03 -4.2013000000e-03 -3.2101000000e-03  1.7474000000e-03  3.1298000000e-03  3.3964000000e-03 -2.2801500000e-02 -3.4980000000e-04 -3.7816000000e-03  7.7135000000e-03 -1.3049000000e-03 -9.6520000000e-04 -1.2111000000e-03
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9458900000e-01 -5.9280000000e-02 -8.1737400000e-01 -1.2311200000e-01 -8.5257200000e-01  4.1736800000e-01  4.3813000000e-02 -2.4185800000e+00  1.2993590000e+00  9.0211200000e-01 -2.8314580000e+00  1.2040420000e+00 -1.6537700000e-01 -2.5116360000e+00  2.2287740000e+00
-ENERGY -1.526616269441e+02
-FORCES -1.5488000000e-03 -1.1846600000e-02  5.0238000000e-03  1.4745000000e-03 -1.1286000000e-03  2.7115000000e-03 -3.2280000000e-04  8.9268000000e-03 -5.6874000000e-03  3.0429000000e-03  2.9378000000e-03  9.8430000000e-04 -4.6463000000e-03  1.4547000000e-03  1.4760000000e-03  2.0006000000e-03 -3.4420000000e-04 -4.5081000000e-03
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6132000000e-02 -4.7387000000e-02  9.5213800000e-01  5.8879000000e-02  9.3419900000e-01 -2.0009500000e-01  2.4480390000e+00 -9.4288400000e-01 -7.8675800000e-01  1.6089080000e+00 -5.2929200000e-01 -5.8419700000e-01  3.0948150000e+00 -4.1587700000e-01 -3.1752800000e-01
-ENERGY -1.526587441720e+02
-FORCES  1.5203000000e-03  6.4140000000e-04  2.9654000000e-03  1.1096000000e-03  1.1847000000e-03 -5.8692000000e-03  2.8394000000e-03 -6.2318000000e-03  1.1592000000e-03 -1.3026900000e-02  5.6316000000e-03  4.6061000000e-03  1.1119600000e-02 -5.0450000000e-04 -2.2818000000e-03 -3.5620000000e-03 -7.2150000000e-04 -5.7980000000e-04
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3141000000e-01 -5.8152100000e-01 -4.2354000000e-01 -2.4635800000e-01  8.7687900000e-01 -2.9431700000e-01  1.1902600000e-01 -2.7112800000e-01  2.6709510000e+00  2.6969600000e-01 -4.0482100000e-01  1.7351860000e+00  8.7368100000e-01 -6.7848300000e-01  3.0961440000e+00
-ENERGY -1.526602493617e+02
-FORCES -3.4118000000e-03  3.3262000000e-03  5.1431000000e-03  3.0596000000e-03  3.1367000000e-03  2.4311000000e-03  4.3100000000e-04 -4.9259000000e-03 -6.7580000000e-04  7.9220000000e-04  1.2321000000e-03 -1.3089400000e-02  1.0322000000e-03 -3.8017000000e-03  9.7497000000e-03 -1.9032000000e-03  1.0326000000e-03 -3.5588000000e-03
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2602000000e-02 -2.6692000000e-02 -9.5233600000e-01 -1.0803600000e-01 -9.0978600000e-01  2.7721800000e-01  6.4442000000e-02 -2.7444520000e+00  2.6370800000e-01 -1.2504100000e-01 -2.7516160000e+00  1.2019390000e+00 -7.2038000000e-01 -3.1123230000e+00 -1.4244100000e-01
-ENERGY -1.526572906069e+02
-FORCES  1.7190000000e-03 -1.6114700000e-02 -3.1456000000e-03 -5.1830000000e-04  7.5990000000e-04  2.2845000000e-03 -3.1465000000e-03  7.6433000000e-03  5.0147000000e-03 -2.3981000000e-03 -1.5790000000e-04  4.8110000000e-04  1.6770000000e-04  4.3232000000e-03 -6.7543000000e-03  4.1763000000e-03  3.5462000000e-03  2.1195000000e-03
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9583000000e-02  3.4979000000e-02 -9.5470300000e-01 -1.6998800000e-01  9.0448400000e-01  2.6314500000e-01 -1.0344400000e-01  2.4110400000e-01 -2.9246820000e+00 -6.9387600000e-01 -4.0359500000e-01 -3.3145340000e+00  7.7239900000e-01 -5.4267000000e-02 -3.1734560000e+00
-ENERGY -1.526615228684e+02
-FORCES -1.7623000000e-03  4.4367000000e-03 -9.8008000000e-03  2.9176000000e-03 -2.4977000000e-03  9.8131000000e-03  6.2890000000e-04 -2.7262000000e-03 -5.0820000000e-04 -5.7120000000e-04 -3.3228000000e-03 -4.4929000000e-03  3.7322000000e-03  3.0954000000e-03  1.7834000000e-03 -4.9451000000e-03  1.0146000000e-03  3.2055000000e-03
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3464700000e-01  5.1051900000e-01 -3.4043400000e-01  7.7630600000e-01  5.0289300000e-01 -2.4633100000e-01  1.0427200000e-01 -2.9456800000e-01 -4.4362590000e+00  7.6694300000e-01  2.8763100000e-01 -4.0645830000e+00  1.1738200000e-01 -1.0658540000e+00 -3.8695340000e+00
-ENERGY -1.526547386289e+02
-FORCES -4.5340000000e-04  4.7139000000e-03 -1.3855000000e-03  3.4568000000e-03 -2.3043000000e-03  1.4419000000e-03 -3.0554000000e-03 -2.4419000000e-03  3.2280000000e-04  2.9234000000e-03 -1.5883000000e-03  3.8239000000e-03 -2.8137000000e-03 -1.8511000000e-03 -1.2779000000e-03 -5.7800000000e-05  3.4717000000e-03 -2.9252000000e-03
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1473400000e-01 -4.2634900000e-01  2.6583300000e-01  8.7661000000e-02  9.0073300000e-01  3.1181400000e-01 -2.1477530000e+00 -1.2290500000e+00  1.2028950000e+00 -1.9900160000e+00 -2.1034090000e+00  8.4673900000e-01 -1.4205680000e+00 -7.0094300000e-01  8.7344700000e-01
-ENERGY -1.526599506988e+02
-FORCES  9.4990000000e-04 -4.1810000000e-04  2.8282000000e-03 -4.8409000000e-03  2.2391000000e-03 -1.0835000000e-03 -1.0630000000e-03 -5.9337000000e-03 -5.0120000000e-04  1.2155000000e-02  4.4557000000e-03 -9.1769000000e-03  8.7600000000e-05  1.9828000000e-03  1.4093000000e-03 -7.2886000000e-03 -2.3258000000e-03  6.5241000000e-03
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0840000000e-03  9.5316000000e-01  8.7751000000e-02  1.1215000000e-02 -1.5398700000e-01 -9.4466600000e-01 -1.0294000000e-01  2.6821850000e+00  7.0941900000e-01 -8.9296700000e-01  3.2187610000e+00  6.4480200000e-01  6.1742000000e-02  2.6097580000e+00  1.6495610000e+00
-ENERGY -1.526616060166e+02
-FORCES -2.5810000000e-04  1.2245500000e-02  2.0430000000e-04  1.2896000000e-03 -1.0717000000e-02 -1.6518000000e-03 -5.1970000000e-04  1.7780000000e-03  2.6697000000e-03 -2.9648000000e-03 -1.6454000000e-03  2.9590000000e-03  4.0648000000e-03 -2.2017000000e-03  1.0590000000e-03 -1.6118000000e-03  5.4070000000e-04 -5.2402000000e-03
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4052100000e-01 -4.2904200000e-01  4.2869900000e-01 -9.3300000000e-03  8.8459100000e-01  3.6557200000e-01  3.8869500000e-01 -2.3698000000e-02 -2.7322290000e+00  4.5161900000e-01  2.7274000000e-02 -1.7784600000e+00  1.1645960000e+00 -5.1729000000e-01 -2.9978900000e+00
-ENERGY -1.526593022980e+02
-FORCES  5.9860000000e-04  1.6001000000e-03  1.4632000000e-03 -3.0314000000e-03  2.9355000000e-03 -4.5290000000e-03  1.0156000000e-03 -5.1547000000e-03 -2.3965000000e-03 -1.2630000000e-03 -1.0690000000e-03  1.2908500000e-02  4.8293000000e-03  4.2020000000e-04 -1.0325700000e-02 -2.1491000000e-03  1.2678000000e-03  2.8794000000e-03
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3617000000e-02  1.1935900000e-01 -9.4510400000e-01 -7.6230600000e-01  5.2931900000e-01  2.3439700000e-01  1.2978700000e-01  1.0383400000e-01 -2.7393470000e+00  9.2041200000e-01  4.9150900000e-01 -3.1146490000e+00  6.5954000000e-02 -7.5766200000e-01 -3.1516370000e+00
-ENERGY -1.526615201949e+02
-FORCES -1.4451000000e-03  2.0316000000e-03 -1.4064200000e-02  6.1430000000e-04  1.9580000000e-04  1.0454000000e-02  2.0702000000e-03 -1.3620000000e-03 -1.3610000000e-03  1.6314000000e-03 -3.1077000000e-03  1.5274000000e-03 -4.0440000000e-03 -2.7380000000e-03  2.2141000000e-03  1.1733000000e-03  4.9803000000e-03  1.2297000000e-03
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3396000000e-02  1.9323000000e-02 -9.5336400000e-01 -3.0350100000e-01  8.7761400000e-01  2.3219200000e-01 -4.8535300000e-01  2.6078530000e+00  8.4741300000e-01 -7.0486000000e-01  2.5615210000e+00  1.7779520000e+00 -1.1026020000e+00  3.2443080000e+00  4.8663500000e-01
-ENERGY -1.526608435654e+02
-FORCES -1.5251000000e-03  1.2820800000e-02  7.9470000000e-04 -7.2820000000e-04  6.2680000000e-04  2.5948000000e-03  6.3520000000e-04 -1.0248400000e-02 -1.5835000000e-03 -1.7941000000e-03 -9.0000000000e-05  1.6028000000e-03  3.5370000000e-04  1.4840000000e-04 -5.6300000000e-03  3.0585000000e-03 -3.2576000000e-03  2.2212000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3146100000e-01 -1.3879600000e-01 -9.3791500000e-01  8.4524000000e-01  4.4512000000e-01  6.0580000000e-02 -2.3324210000e+00  1.1973850000e+00  9.7349500000e-01 -1.6134570000e+00  7.4060000000e-01  5.3683800000e-01 -2.2842320000e+00  2.0937670000e+00  6.4121600000e-01
-ENERGY -1.526597676889e+02
-FORCES  2.3888000000e-03  2.5719000000e-03 -8.6000000000e-06 -6.5090000000e-04  2.5746000000e-03  5.6250000000e-03 -4.0194000000e-03 -2.4942000000e-03 -1.7980000000e-03  1.1680300000e-02 -3.2341000000e-03 -4.4792000000e-03 -9.8946000000e-03  3.3232000000e-03  9.3700000000e-05  4.9580000000e-04 -2.7415000000e-03  5.6700000000e-04
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7115200000e-01 -5.6693100000e-01 -1.2055000000e-02  2.2988600000e-01  1.1210800000e-01 -9.2239700000e-01 -1.4559500000e-01 -2.9407800000e-01 -2.8233250000e+00  6.1792300000e-01 -7.5347100000e-01 -3.1729420000e+00 -8.9248300000e-01 -8.2528800000e-01 -3.0993790000e+00
-ENERGY -1.526589614361e+02
-FORCES -3.6398000000e-03 -2.4836000000e-03 -1.2996900000e-02  1.3999000000e-03  1.0012000000e-03  1.3810000000e-03  3.8527000000e-03  1.2489000000e-03  7.4118000000e-03 -1.6355000000e-03 -4.0057000000e-03  9.8500000000e-05 -3.9399000000e-03  2.3190000000e-03  2.8507000000e-03  3.9625000000e-03  1.9202000000e-03  1.2550000000e-03
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8864600000e-01 -5.0453800000e-01  1.9927500000e-01 -4.4687000000e-02  1.5232500000e-01 -9.4394500000e-01  3.8426160000e+00  8.9678000000e-02 -3.2584200000e-01  3.1778030000e+00 -4.1305200000e-01  1.4481500000e-01  3.7105570000e+00  9.9240100000e-01 -3.6214000000e-02
-ENERGY -1.526570396366e+02
-FORCES -4.5708000000e-03 -1.2709000000e-03 -3.5152000000e-03  3.3176000000e-03  2.0956000000e-03 -9.8080000000e-04 -1.0740000000e-04 -6.6400000000e-04  4.3143000000e-03 -4.6255000000e-03  1.5342000000e-03  3.8517000000e-03  4.7204000000e-03  1.4677000000e-03 -2.1461000000e-03  1.2656000000e-03 -3.1625000000e-03 -1.5238000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2068200000e-01  2.6854200000e-01 -4.1303600000e-01  1.1943500000e-01 -9.0974600000e-01 -2.7263300000e-01 -2.2201260000e+00  1.2867650000e+00 -1.0183860000e+00 -2.9426610000e+00  8.6616300000e-01 -5.5226700000e-01 -2.1852930000e+00  2.1727460000e+00 -6.5775400000e-01
-ENERGY -1.526605802689e+02
-FORCES -9.6050000000e-03  4.8870000000e-03 -6.9318000000e-03  6.7988000000e-03 -7.2757000000e-03  5.9541000000e-03 -2.3412000000e-03  3.0529000000e-03  2.6890000000e-04  6.9210000000e-04  3.2860000000e-03  4.1859000000e-03  5.8149000000e-03  9.8150000000e-04 -1.7922000000e-03 -1.3596000000e-03 -4.9317000000e-03 -1.6850000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4940000000e-03 -8.4487900000e-01 -4.4985400000e-01  7.6696900000e-01  4.5967300000e-01 -3.4160200000e-01 -2.5188700000e-01 -2.4052150000e+00 -1.1161310000e+00 -3.6648300000e-01 -2.4178000000e+00 -2.0663630000e+00 -1.0815630000e+00 -2.7339180000e+00 -7.6997400000e-01
-ENERGY -1.526600210335e+02
-FORCES  6.9900000000e-04 -1.5427500000e-02 -7.5840000000e-03  5.1800000000e-05  9.7968000000e-03  4.1991000000e-03 -2.1663000000e-03 -2.6792000000e-03 -5.7070000000e-04 -3.4140000000e-03  5.7080000000e-03  1.5933000000e-03  3.1580000000e-04  4.3840000000e-04  5.2678000000e-03  4.5136000000e-03  2.1635000000e-03 -2.9056000000e-03
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7251600000e-01 -4.4887500000e-01  3.4345700000e-01  7.3820100000e-01 -4.2338000000e-01  4.3822400000e-01  2.2294400000e-01  1.9836000000e-01 -2.6205030000e+00  5.0097400000e-01  2.5927600000e-01 -1.7066000000e+00  1.5857500000e-01  1.1075380000e+00 -2.9128790000e+00
-ENERGY -1.526569937393e+02
-FORCES -4.8636000000e-03 -3.2046000000e-03 -7.7126000000e-03  4.6500000000e-03  1.9165000000e-03  1.0724000000e-03 -3.3287000000e-03  2.1831000000e-03 -4.7063000000e-03 -2.2405000000e-03  9.2450000000e-04  1.5749700000e-02  5.8507000000e-03  7.8580000000e-04 -6.6945000000e-03 -6.8000000000e-05 -2.6052000000e-03  2.2913000000e-03
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5239300000e-01 -4.2662600000e-01 -8.7459000000e-02  6.0045300000e-01 -5.6049900000e-01 -4.9145600000e-01  2.1600790000e+00 -1.2647550000e+00 -7.8278000000e-01  2.9823830000e+00 -8.7813700000e-01 -4.8182400000e-01  2.1504500000e+00 -2.1400040000e+00 -3.9537900000e-01
-ENERGY -1.526581217387e+02
-FORCES  1.3279200000e-02 -7.1262000000e-03 -5.9901000000e-03  4.6549000000e-03 -1.1783000000e-03 -4.5600000000e-04 -9.7867000000e-03  1.3628000000e-03  2.2655000000e-03 -4.3827000000e-03  6.1194000000e-03  7.5166000000e-03 -2.8449000000e-03 -3.9689000000e-03 -1.4997000000e-03 -9.1970000000e-04  4.7913000000e-03 -1.8364000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1102300000e-01 -4.2068800000e-01  2.8547200000e-01 -4.4038000000e-02  8.8182200000e-01  3.6970600000e-01 -2.1313980000e+00 -1.2271030000e+00  1.3101240000e+00 -2.0830690000e+00 -1.2475560000e+00  2.2658850000e+00 -2.0586250000e+00 -2.1443930000e+00  1.0464660000e+00
-ENERGY -1.526602834858e+02
-FORCES -1.1478300000e-02 -2.5539000000e-03  7.6256000000e-03  7.1095000000e-03  1.4880000000e-03 -6.6974000000e-03  3.5070000000e-04 -2.4676000000e-03 -4.8490000000e-04  4.3147000000e-03 -1.3366000000e-03  3.0018000000e-03 -1.0216000000e-03 -7.0610000000e-04 -4.5681000000e-03  7.2490000000e-04  5.5763000000e-03  1.1230000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1114300000e-01  2.8727300000e-01  8.8832700000e-01 -7.2786500000e-01  3.1769600000e-01 -5.3433500000e-01  2.5469870000e+00  7.3948300000e-01 -9.8573500000e-01  1.6496330000e+00  6.2541800000e-01 -6.7272300000e-01  2.7340770000e+00  1.6676190000e+00 -8.4504500000e-01
-ENERGY -1.526607808318e+02
-FORCES -2.7746000000e-03  7.0150000000e-04  1.7053000000e-03  7.9790000000e-04 -5.6630000000e-04 -5.1968000000e-03  4.5074000000e-03 -6.1370000000e-04  3.2208000000e-03 -1.0063300000e-02 -1.3649000000e-03  4.5145000000e-03  9.3787000000e-03  4.7246000000e-03 -4.4474000000e-03 -1.8460000000e-03 -2.8812000000e-03  2.0350000000e-04
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2500900000e-01  8.7132400000e-01 -2.2670600000e-01  7.0819700000e-01 -5.9307900000e-01 -2.5089000000e-01 -1.9113100000e-01  8.3144000000e-02  2.7151940000e+00  4.7430000000e-03  5.3591000000e-02  1.7787160000e+00 -9.6597500000e-01 -4.6976900000e-01  2.8158730000e+00
-ENERGY -1.526601130848e+02
-FORCES  1.8456000000e-03  1.3518000000e-03  1.1928000000e-03 -9.4140000000e-04 -5.6051000000e-03  2.8898000000e-03 -3.7049000000e-03  3.8742000000e-03  2.9967000000e-03 -2.1878000000e-03 -2.3625000000e-03 -1.6627900000e-02  2.7909000000e-03  1.6352000000e-03  9.6210000000e-03  2.1976000000e-03  1.1064000000e-03 -7.2500000000e-05
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0443000000e-02  2.4150500000e-01 -9.2617400000e-01  8.3437900000e-01  3.2176600000e-01  3.4133700000e-01 -3.3057600000e-01 -2.5430580000e+00  7.6348200000e-01 -2.7255100000e-01 -2.6942980000e+00  1.7068760000e+00 -8.0490000000e-03 -1.6498770000e+00  6.4333600000e-01
-ENERGY -1.526578893412e+02
-FORCES -6.5520000000e-04 -4.3977000000e-03 -3.5539000000e-03  9.4120000000e-04  3.5090000000e-04  5.2089000000e-03 -4.6374000000e-03 -4.9822000000e-03 -9.3200000000e-04  3.5510000000e-04  1.4336800000e-02 -3.5537000000e-03  7.8560000000e-04  2.7765000000e-03 -3.0018000000e-03  3.2108000000e-03 -8.0843000000e-03  5.8325000000e-03
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9432300000e-01 -6.9322000000e-02 -8.6944600000e-01  5.4015100000e-01 -5.6341300000e-01  5.5410700000e-01 -2.4547890000e+00 -1.1919130000e+00  8.4873500000e-01 -3.2682490000e+00 -8.1824700000e-01  5.0978200000e-01 -1.7689410000e+00 -8.1117900000e-01  3.0020500000e-01
-ENERGY -1.526612144327e+02
-FORCES  4.6859000000e-03 -2.0391000000e-03  1.1347000000e-03 -2.5344000000e-03 -1.9620000000e-04  4.3951000000e-03 -2.9724000000e-03  2.6497000000e-03 -4.0785000000e-03  6.1518000000e-03  6.4135000000e-03 -4.4783000000e-03  3.1827000000e-03 -7.5460000000e-04  2.1610000000e-04 -8.5136000000e-03 -6.0733000000e-03  2.8109000000e-03
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2557600000e-01 -2.2919000000e-02 -9.4865000000e-01 -9.3106000000e-02 -9.1165300000e-01  2.7650000000e-01 -3.2632300000e-01 -2.5861510000e+00  8.7328000000e-01 -1.0690270000e+00 -3.0470050000e+00  4.8310500000e-01  4.2790200000e-01 -3.1452230000e+00  6.8669700000e-01
-ENERGY -1.526604028578e+02
-FORCES -2.1720000000e-03 -1.3763100000e-02  2.9738000000e-03  6.8400000000e-05 -1.2225000000e-03  2.8290000000e-03  1.9335000000e-03  9.7086000000e-03 -4.4919000000e-03  2.8700000000e-05 -1.5680000000e-04 -2.3047000000e-03  4.8081000000e-03  2.2959000000e-03  1.0871000000e-03 -4.6667000000e-03  3.1380000000e-03 -9.3400000000e-05
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4550000000e-02 -6.2046000000e-02  9.5143800000e-01 -7.2047600000e-01  5.7023900000e-01 -2.6827900000e-01 -1.2811600000e-01 -2.7259480000e+00 -7.2081200000e-01 -5.6856000000e-02 -2.7334330000e+00 -1.6753270000e+00 -2.0431800000e-01 -1.7993540000e+00 -4.9310500000e-01
-ENERGY -1.526609670331e+02
-FORCES -1.8473000000e-03  1.6215000000e-03  2.7212000000e-03 -5.9180000000e-04 -5.8600000000e-04 -6.0150000000e-03  3.5831000000e-03 -3.6873000000e-03  1.4281000000e-03  1.6953000000e-03  1.2744100000e-02 -2.8790000000e-04 -6.8350000000e-04  4.7630000000e-04  2.6102000000e-03 -2.1558000000e-03 -1.0568600000e-02 -4.5660000000e-04
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8603500000e-01 -4.4913400000e-01 -3.1090200000e-01  1.2976000000e-02 -1.2288200000e-01  9.4919100000e-01  2.1305780000e+00 -1.1358490000e+00 -9.8312500000e-01  2.1023710000e+00 -2.0381120000e+00 -6.6475700000e-01  2.9722220000e+00 -7.9910700000e-01 -6.7576000000e-01
-ENERGY -1.526574182888e+02
-FORCES  1.7386800000e-02 -8.2629000000e-03 -7.0553000000e-03 -8.4535000000e-03  1.4411000000e-03  5.6368000000e-03  2.0045000000e-03 -9.7390000000e-04 -3.1160000000e-03 -5.1525000000e-03  4.0264000000e-03  4.8626000000e-03 -7.9750000000e-04  6.7708000000e-03  3.1810000000e-04 -4.9879000000e-03 -3.0015000000e-03 -6.4630000000e-04
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1859800000e-01 -1.1839000000e-01  9.4241700000e-01 -2.2114500000e-01 -8.7255600000e-01 -3.2553600000e-01 -2.0149240000e+00  1.6063690000e+00 -9.0690300000e-01 -2.7773040000e+00  1.1603090000e+00 -5.3807000000e-01 -1.2638580000e+00  1.1278370000e+00 -5.5599000000e-01
-ENERGY -1.526599810129e+02
-FORCES -3.3739000000e-03 -7.6920000000e-04  1.8900000000e-04 -1.5690000000e-03 -2.6890000000e-04 -5.1907000000e-03  2.2040000000e-04  4.8605000000e-03  2.8934000000e-03  1.0094500000e-02 -9.4388000000e-03  6.6179000000e-03  2.5709000000e-03  3.8300000000e-04 -8.0540000000e-04 -7.9428000000e-03  5.2334000000e-03 -3.7041000000e-03
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0949300000e-01  4.7793700000e-01  1.8036000000e-01  6.9326700000e-01  5.6452200000e-01  3.4194600000e-01  3.1168100000e-01 -2.7189720000e+00  1.1626460000e+00 -5.8047300000e-01 -3.0440890000e+00  1.0418460000e+00  3.7725600000e-01 -1.9715190000e+00  5.6830200000e-01
-ENERGY -1.526603241281e+02
-FORCES -1.5124000000e-03  3.9605000000e-03  3.8420000000e-03  3.8843000000e-03 -1.3953000000e-03 -1.0309000000e-03 -3.5271000000e-03 -2.7130000000e-03 -1.6848000000e-03 -4.1392000000e-03  7.5760000000e-03 -5.1008000000e-03  2.4630000000e-03  8.0180000000e-04  7.4980000000e-04  2.8314000000e-03 -8.2300000000e-03  3.2247000000e-03
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2359000000e-02 -1.7867000000e-01 -9.3583100000e-01 -7.6693600000e-01 -4.1040300000e-01  3.9951200000e-01 -2.0665560000e+00 -1.2668350000e+00  1.5160530000e+00 -2.8483450000e+00 -8.0852300000e-01  1.2078530000e+00 -2.1206090000e+00 -2.1325130000e+00  1.1111930000e+00
-ENERGY -1.526595115918e+02
-FORCES -7.9321000000e-03 -5.2966000000e-03  4.8744000000e-03 -1.1299000000e-03 -3.8980000000e-04  3.6486000000e-03  5.9233000000e-03  4.7234000000e-03 -8.8902000000e-03 -3.8131000000e-03 -2.8233000000e-03  2.1960000000e-04  6.0928000000e-03 -2.2318000000e-03 -3.3300000000e-04  8.5900000000e-04  6.0180000000e-03  4.8050000000e-04
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1428100000e-01  1.7657400000e-01 -9.3380600000e-01  2.2428700000e-01  8.4977000000e-01  3.7923400000e-01  2.9745900000e-01  2.5540860000e+00  3.5452000000e-01  3.4408500000e-01  2.4384700000e+00  1.3035670000e+00  1.0788180000e+00  3.0619610000e+00  1.3595400000e-01
-ENERGY -1.526526588666e+02
-FORCES  1.8847000000e-03  2.2696600000e-02 -3.2156000000e-03  4.7020000000e-04 -2.4355000000e-03  1.0509000000e-03 -1.2430000000e-04 -2.2614000000e-03  1.0251800000e-02  1.6658000000e-03 -8.9701000000e-03 -1.0963000000e-03  7.4690000000e-04 -6.0915000000e-03 -8.3502000000e-03 -4.6433000000e-03 -2.9381000000e-03  1.3595000000e-03
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5745000000e-02  5.1122000000e-02 -9.5282800000e-01  9.0349200000e-01  3.1172000000e-02  3.1458400000e-01 -1.4264700000e-01  4.9722000000e-02 -2.5999890000e+00  6.8075300000e-01 -2.9746200000e-01 -2.9430740000e+00 -1.4651000000e-01  9.6827000000e-01 -2.8692230000e+00
-ENERGY -1.526569121181e+02
-FORCES -1.0477000000e-03 -7.9800000000e-05 -2.0255000000e-02  4.1428000000e-03  1.3713000000e-03  1.0038900000e-02 -2.0706000000e-03 -1.1820000000e-04 -4.0377000000e-03  1.3341000000e-03  1.2946000000e-03  6.5620000000e-03 -3.8733000000e-03  3.2129000000e-03  4.7618000000e-03  1.5147000000e-03 -5.6807000000e-03  2.9300000000e-03
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8674400000e-01 -2.9032900000e-01  2.1360500000e-01  5.7110400000e-01 -6.3431700000e-01  4.3326000000e-01  2.1883990000e+00  3.9694760000e+00  2.6311900000e-01  2.1419350000e+00  4.8441880000e+00  6.4906300000e-01  1.3594050000e+00  3.5562990000e+00  5.0454200000e-01
-ENERGY -1.526550021969e+02
-FORCES -9.6430000000e-04 -4.6211000000e-03  2.2009000000e-03  3.6757000000e-03  1.4390000000e-03 -7.5740000000e-04 -2.6848000000e-03  2.6240000000e-03 -1.6529000000e-03 -4.0416000000e-03  1.0427000000e-03  2.1334000000e-03  2.0560000000e-04 -3.4625000000e-03 -1.4912000000e-03  3.8093000000e-03  2.9778000000e-03 -4.3290000000e-04
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4791700000e-01 -1.5310300000e-01 -4.1692600000e-01  6.3003100000e-01 -4.4470200000e-01 -5.6703900000e-01 -2.2344680000e+00 -1.1112250000e+00 -1.2228170000e+00 -2.1765690000e+00 -1.2295830000e+00 -2.1709050000e+00 -2.1926650000e+00 -1.9989110000e+00 -8.6715200000e-01
-ENERGY -1.526598996325e+02
-FORCES -9.9462000000e-03 -5.8150000000e-03 -8.4394000000e-03  7.4746000000e-03  3.7977000000e-03  4.6693000000e-03 -1.6504000000e-03  7.7460000000e-04  1.4883000000e-03  2.9992000000e-03 -3.2190000000e-03  1.1320000000e-04  8.6360000000e-04 -6.6500000000e-05  5.1599000000e-03  2.5920000000e-04  4.5283000000e-03 -2.9914000000e-03
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8602800000e-01  2.2411000000e-02 -9.3868200000e-01 -8.2031000000e-02 -9.2326200000e-01  2.3893600000e-01 -1.8759100000e-01 -2.4194090000e+00  1.1908330000e+00 -9.0174000000e-01 -2.8732050000e+00  7.4329200000e-01  6.0257300000e-01 -2.8828250000e+00  9.1313200000e-01
-ENERGY -1.526581523892e+02
-FORCES -1.5069000000e-03 -1.3231600000e-02  6.4198000000e-03  1.6020000000e-04 -2.7863000000e-03  3.5548000000e-03  9.4450000000e-04  7.7131000000e-03 -8.7708000000e-03  5.9190000000e-04 -4.5390000000e-04 -1.1189000000e-03  5.0338000000e-03  4.6225000000e-03  3.0890000000e-04 -5.2235000000e-03  4.1362000000e-03 -3.9380000000e-04
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3682000000e-01 -4.0894500000e-01 -4.5397300000e-01 -4.4332000000e-02  9.2216700000e-01 -2.5273500000e-01  2.4425000000e-02 -5.2326000000e-02  2.6521790000e+00  5.6789000000e-02 -1.8739400000e-01  1.7051090000e+00 -6.1531000000e-02  8.9526500000e-01  2.7566540000e+00
-ENERGY -1.526579695149e+02
-FORCES -2.9077000000e-03  2.1822000000e-03  7.2350000000e-03  3.8107000000e-03  3.1352000000e-03  2.4683000000e-03 -7.1300000000e-04 -4.8468000000e-03  1.8633000000e-03 -1.7640000000e-04  2.2337000000e-03 -1.9177900000e-02 -2.3060000000e-04 -8.0900000000e-04  8.6873000000e-03  2.1700000000e-04 -1.8952000000e-03 -1.0761000000e-03
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6511000000e-01  1.9223800000e-01 -9.2304700000e-01  5.9271300000e-01  5.8165400000e-01  4.7602700000e-01 -1.9083100000e-01 -2.6742950000e+00  8.6116400000e-01  7.0911900000e-01 -2.9954510000e+00  8.0475100000e-01 -1.5591900000e-01 -1.7950200000e+00  4.8448500000e-01
-ENERGY -1.526610154277e+02
-FORCES  2.3163000000e-03  1.1144000000e-03  3.9350000000e-04  1.0240000000e-04 -1.0496000000e-03  5.1070000000e-03 -2.3893000000e-03 -2.5439000000e-03 -3.6498000000e-03  3.0038000000e-03  1.1107800000e-02 -3.9633000000e-03 -2.3152000000e-03  1.4748000000e-03  4.2800000000e-05 -7.1800000000e-04 -1.0103500000e-02  2.0697000000e-03
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4397000000e-02  4.1652000000e-02 -9.5339500000e-01 -8.2286600000e-01 -3.9527800000e-01  2.8788800000e-01  2.3834560000e+00 -1.1563960000e+00  8.9757200000e-01  1.5647510000e+00 -7.7953700000e-01  5.7519100000e-01  3.0578200000e+00 -5.3423400000e-01  6.2484600000e-01
-ENERGY -1.526614058726e+02
-FORCES -1.4410000000e-03 -2.6641000000e-03 -9.8830000000e-04  3.8360000000e-04 -4.3320000000e-04  5.1222000000e-03  4.0381000000e-03  2.0495000000e-03 -2.5578000000e-03 -9.6877000000e-03  7.5861000000e-03 -4.0682000000e-03  9.0740000000e-03 -4.9422000000e-03  2.5492000000e-03 -2.3669000000e-03 -1.5962000000e-03 -5.7200000000e-05
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0408300000e-01 -3.8404600000e-01 -8.7057800000e-01  7.4749700000e-01 -4.6273200000e-01  3.7862700000e-01 -5.0528900000e-01 -2.2789000000e-01 -2.9153830000e+00 -1.3896060000e+00 -5.6959800000e-01 -3.0474850000e+00 -5.2945100000e-01  6.5215200000e-01 -3.2911150000e+00
-ENERGY -1.526611490824e+02
-FORCES  1.2919000000e-03 -2.5336000000e-03 -7.5452000000e-03  5.4420000000e-04 -7.1520000000e-04  1.0430500000e-02 -2.4406000000e-03  1.3228000000e-03 -2.0458000000e-03 -3.1844000000e-03  4.8927000000e-03 -2.7739000000e-03  4.4216000000e-03  1.6829000000e-03  1.4755000000e-03 -6.3270000000e-04 -4.6496000000e-03  4.5890000000e-04
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5014500000e-01 -6.1032000000e-02 -9.4337900000e-01  1.7660000000e-03  9.3954200000e-01  1.8300000000e-01 -1.4791400000e-01  2.5491300000e+00  7.6776800000e-01 -2.0724800000e-01  2.5214000000e+00  1.7227250000e+00 -7.8134100000e-01  3.2178200000e+00  5.0727700000e-01
-ENERGY -1.526600716861e+02
-FORCES -4.4380000000e-04  1.6074600000e-02  2.1500000000e-03 -9.1440000000e-04  1.7552000000e-03  2.4657000000e-03  1.6199000000e-03 -9.4783000000e-03 -9.9140000000e-04 -3.0588000000e-03 -6.3743000000e-03 -5.6620000000e-04 -4.6930000000e-04  6.4540000000e-04 -5.5446000000e-03  3.2664000000e-03 -2.6226000000e-03  2.4865000000e-03
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6137500000e-01 -1.6003600000e-01 -9.2982700000e-01  7.7439200000e-01  4.7630400000e-01  2.9947300000e-01 -1.0522200000e-01 -3.1185520000e+00  5.5077100000e-01 -3.6869200000e-01 -2.3239030000e+00  8.6714000000e-02 -7.9225200000e-01 -3.7535900000e+00  3.4841400000e-01
-ENERGY -1.526574601129e+02
-FORCES  6.0086000000e-03  3.8371000000e-03 -3.7440000000e-04 -1.7812000000e-03 -1.8925000000e-03  4.9954000000e-03 -3.6660000000e-03 -1.0223000000e-03 -2.2092000000e-03 -3.4737000000e-03  4.0852000000e-03 -1.0492000000e-03  4.2580000000e-04 -8.0051000000e-03 -1.7361000000e-03  2.4864000000e-03  2.9976000000e-03  3.7360000000e-04
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6050000000e-02 -8.8039500000e-01  3.7533800000e-01  6.9260000000e-01  4.5324800000e-01  4.8073300000e-01  1.4217500000e-01 -2.6709540000e+00  7.6484000000e-01  3.8227400000e-01 -2.5534950000e+00  1.6839630000e+00 -5.0435100000e-01 -3.3767530000e+00  7.7399800000e-01
-ENERGY -1.526588973938e+02
-FORCES  1.8898000000e-03 -1.1581600000e-02  2.5991000000e-03  9.8800000000e-04  1.0368300000e-02  1.8856000000e-03 -2.1362000000e-03 -2.8605000000e-03 -3.4040000000e-04 -2.8082000000e-03 -1.1916000000e-03  6.0650000000e-04 -1.9666000000e-03  2.2985000000e-03 -5.8758000000e-03  4.0333000000e-03  2.9670000000e-03  1.1250000000e-03
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3744100000e-01  4.0108400000e-01  2.3250000000e-01  6.4606200000e-01  4.7124600000e-01  5.2608300000e-01  9.9180000000e-03 -2.7077590000e+00  4.3674800000e-01  1.6592900000e-01 -2.6769440000e+00  1.3806460000e+00 -6.6130000000e-03 -1.7897550000e+00  1.6614200000e-01
-ENERGY -1.526599936646e+02
-FORCES -2.6840000000e-04 -1.6392000000e-03  3.4354000000e-03  5.0368000000e-03 -2.1022000000e-03 -2.4920000000e-04 -4.3133000000e-03 -2.3809000000e-03 -1.7963000000e-03  5.9500000000e-04  1.5415800000e-02 -3.2300000000e-04 -2.7200000000e-04  3.4750000000e-04 -2.2905000000e-03 -7.7800000000e-04 -9.6409000000e-03  1.2237000000e-03
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2700400000e-01 -2.5607000000e-02 -9.4839100000e-01  8.1357800000e-01  4.8980900000e-01  1.2004100000e-01 -1.9350600000e-01 -2.5388960000e+00  1.4767370000e+00 -1.0274650000e+00 -2.8997680000e+00  1.1758800000e+00 -1.2353500000e-01 -1.6938250000e+00  1.0326750000e+00
-ENERGY -1.526616490568e+02
-FORCES  2.9848000000e-03  1.8510000000e-03 -3.5026000000e-03  8.1150000000e-04  5.0480000000e-04  4.5838000000e-03 -4.0673000000e-03 -2.4998000000e-03 -1.3130000000e-03 -2.2760000000e-03  8.0962000000e-03 -5.5800000000e-03  2.5448000000e-03  1.0338000000e-03  3.7170000000e-04  2.1000000000e-06 -8.9860000000e-03  5.4401000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3421000000e-02 -9.5986000000e-02 -9.5026100000e-01  7.6357400000e-01 -5.2328600000e-01  2.4363500000e-01  1.0248000000e-02  2.6059100000e+00  1.2375980000e+00 -7.7569900000e-01  2.9464140000e+00  8.1030700000e-01 -2.6544000000e-02  1.6609030000e+00  1.0898130000e+00
-ENERGY -1.526601303071e+02
-FORCES  2.8252000000e-03  7.2570000000e-04 -4.0472000000e-03  5.3270000000e-04 -8.8340000000e-04  4.2840000000e-03 -3.7268000000e-03  3.0998000000e-03 -1.1630000000e-03 -3.2828000000e-03 -9.2155000000e-03 -6.2266000000e-03  2.3505000000e-03 -3.5730000000e-04  9.9010000000e-04  1.3012000000e-03  6.6307000000e-03  6.1626000000e-03
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8025000000e-02  6.9413000000e-02  9.5392200000e-01  8.4284600000e-01  3.4103900000e-01 -2.9922500000e-01  1.4771000000e-02 -2.4826170000e+00 -1.2298580000e+00 -8.3025800000e-01 -2.8651060000e+00 -9.9351100000e-01  2.0993000000e-02 -1.6286370000e+00 -7.9752600000e-01
-ENERGY -1.526608464508e+02
-FORCES  2.8267000000e-03 -1.1855000000e-03  1.7643000000e-03  1.7750000000e-04  5.7500000000e-05 -5.0575000000e-03 -4.6764000000e-03 -3.6512000000e-03  1.9050000000e-03 -3.7003000000e-03  1.1892700000e-02  7.0735000000e-03  2.3398000000e-03  1.1629000000e-03  2.5900000000e-05  3.0327000000e-03 -8.2763000000e-03 -5.7112000000e-03
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8866800000e-01 -9.0418400000e-01  2.5117200000e-01  9.1517000000e-02  8.4840000000e-03 -9.5277700000e-01  2.1605130000e+00  3.8631360000e+00 -3.7114700000e-01  3.0467150000e+00  4.2164170000e+00 -4.4907000000e-01  2.2745410000e+00  3.0261790000e+00  7.9111000000e-02
-ENERGY -1.526550518640e+02
-FORCES  9.2500000000e-05 -3.9238000000e-03 -3.2650000000e-03 -5.6520000000e-04  3.8629000000e-03 -1.0137000000e-03 -7.1000000000e-06 -3.0840000000e-04  4.2446000000e-03  3.4792000000e-03 -2.3348000000e-03  2.1510000000e-03 -3.5313000000e-03 -1.4702000000e-03  2.2250000000e-04  5.3180000000e-04  4.1744000000e-03 -2.3394000000e-03
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1355000000e-02  6.4644000000e-02  9.5411900000e-01  7.7156700000e-01 -5.1341400000e-01 -2.3942000000e-01  2.8350400000e-01  1.4511900000e-01  2.6476270000e+00  1.0910900000e+00 -1.9514800000e-01  3.0326650000e+00  2.9324800000e-01  1.0792840000e+00  2.8561280000e+00
-ENERGY -1.526587606665e+02
-FORCES  3.7132000000e-03 -1.4886000000e-03  1.8128300000e-02 -1.6757000000e-03  2.5623000000e-03 -9.0794000000e-03 -1.5376000000e-03  1.2609000000e-03  1.4223000000e-03  2.7864000000e-03  6.7480000000e-04 -6.2148000000e-03 -3.8939000000e-03  2.6487000000e-03 -2.0524000000e-03  6.0750000000e-04 -5.6581000000e-03 -2.2041000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6706800000e-01  1.6706100000e-01 -9.2758300000e-01 -2.1514300000e-01  8.5892000000e-01  3.6359500000e-01  2.2363120000e+00 -1.3854810000e+00  1.0357010000e+00  1.5776340000e+00 -8.5248700000e-01  5.9040000000e-01  2.0482390000e+00 -1.2706600000e+00  1.9671920000e+00
-ENERGY -1.526603385823e+02
-FORCES -1.7430000000e-04  3.0164000000e-03 -9.8440000000e-04  5.1920000000e-04 -8.4270000000e-04  5.8925000000e-03  1.3275000000e-03 -4.4832000000e-03 -2.0446000000e-03 -1.1803900000e-02  6.2197000000e-03 -1.3577000000e-03  9.2790000000e-03 -3.9604000000e-03  7.9200000000e-04  8.5250000000e-04  5.0300000000e-05 -2.2978000000e-03
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7908300000e-01  1.6937300000e-01 -8.9981000000e-01  1.6467500000e-01 -9.4254700000e-01  2.6801000000e-02  1.0597400000e-01 -2.6200820000e+00  3.9644500000e-01  1.9505700000e-01 -3.0117650000e+00  1.2652840000e+00  8.2328300000e-01 -2.9984100000e+00 -1.1205000000e-01
-ENERGY -1.526584432001e+02
-FORCES -1.2871000000e-03 -1.6645500000e-02  2.1136000000e-03  1.4205000000e-03 -2.4507000000e-03  2.2774000000e-03  2.7330000000e-03  8.3384000000e-03 -4.9151000000e-03  5.2210000000e-04  5.8628000000e-03  3.3000000000e-03  4.4460000000e-04  4.0670000000e-04 -5.3726000000e-03 -3.8330000000e-03  4.4883000000e-03  2.5968000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3234600000e-01  5.0209100000e-01 -3.5749800000e-01  7.5716100000e-01  5.7743200000e-01 -9.7525000000e-02  2.0322330000e+00  1.2969870000e+00 -6.9018600000e-01  2.1093190000e+00  1.4012280000e+00 -1.6385650000e+00  2.2553180000e+00  2.1575010000e+00 -3.3525000000e-01
-ENERGY -1.526544955100e+02
-FORCES  2.0334600000e-02  1.4710000000e-02 -7.4368000000e-03  3.2190000000e-03 -1.2890000000e-04 -6.9700000000e-05 -5.2131000000e-03 -2.1249000000e-03  3.4555000000e-03 -1.5563800000e-02 -9.4944000000e-03  1.3088000000e-03  2.5120000000e-04  1.8438000000e-03  5.5199000000e-03 -3.0279000000e-03 -4.8057000000e-03 -2.7777000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8947100000e-01  2.0833400000e-01  9.1483800000e-01 -7.7286600000e-01 -4.7681500000e-01 -3.0258300000e-01  2.1730000000e-01  2.2934400000e-01  2.7390200000e+00 -5.7827600000e-01 -1.9276900000e-01  3.0632290000e+00  6.0917000000e-02  1.1652140000e+00  2.8652110000e+00
-ENERGY -1.526567908378e+02
-FORCES  5.2710000000e-04 -5.7260000000e-04  1.2882500000e-02 -5.1221000000e-03  2.0316000000e-03 -9.3127000000e-03  2.1736000000e-03  1.4663000000e-03  3.1794000000e-03 -6.7340000000e-04  3.3560000000e-04  1.9968000000e-03  3.5439000000e-03  2.8496000000e-03 -4.9649000000e-03 -4.4910000000e-04 -6.1106000000e-03 -3.7810000000e-03
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2374500000e-01  1.3070700000e-01  9.2145800000e-01  7.9227700000e-01  2.4742400000e-01 -4.7677000000e-01  2.0142500000e-01 -2.6938070000e+00 -7.9600200000e-01 -1.0635700000e-01 -1.8435920000e+00 -4.8193500000e-01 -5.7219400000e-01 -3.2564890000e+00 -7.6231800000e-01
-ENERGY -1.526619261848e+02
-FORCES  5.4426000000e-03  7.1150000000e-04  1.0371000000e-03 -8.7810000000e-04 -8.1580000000e-04 -4.7695000000e-03 -4.3019000000e-03 -1.5981000000e-03  3.1999000000e-03 -3.8076000000e-03  9.4764000000e-03  3.2045000000e-03  1.6773000000e-03 -1.0742900000e-02 -3.4377000000e-03  1.8678000000e-03  2.9689000000e-03  7.6570000000e-04
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6609000000e-02 -4.7377000000e-02 -9.5434900000e-01 -9.0060000000e-02  9.3177500000e-01  1.9979000000e-01 -2.6565250000e+00 -1.3056720000e+00  5.5901200000e-01 -3.4395890000e+00 -9.4500700000e-01  1.4312300000e-01 -1.9886370000e+00 -6.3051900000e-01  4.3932000000e-01
-ENERGY -1.526586475002e+02
-FORCES  4.3650000000e-03  2.5772000000e-03 -4.2806000000e-03 -1.1405000000e-03  9.6140000000e-04  5.3815000000e-03 -2.1179000000e-03 -5.5851000000e-03 -1.0055000000e-03  5.2140000000e-03  4.5628000000e-03 -1.4291000000e-03  3.8533000000e-03 -4.9290000000e-04  8.7370000000e-04 -1.0174000000e-02 -2.0234000000e-03  4.6010000000e-04
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3520000000e-02 -9.2025300000e-01  2.6302600000e-01  8.2156800000e-01  3.3911300000e-01  3.5533200000e-01 -2.5342880000e+00  1.0364740000e+00  8.8187900000e-01 -1.7051360000e+00  7.4479700000e-01  5.0284900000e-01 -2.6322820000e+00  1.9391630000e+00  5.7892300000e-01
-ENERGY -1.526618634700e+02
-FORCES  2.7456000000e-03 -1.8799000000e-03  3.4116000000e-03  3.1730000000e-04  5.1848000000e-03 -9.3590000000e-04 -3.6176000000e-03 -2.3149000000e-03 -1.8694000000e-03  9.4348000000e-03 -1.0217000000e-03 -4.9429000000e-03 -9.9745000000e-03  2.6090000000e-03  3.3937000000e-03  1.0945000000e-03 -2.5772000000e-03  9.4290000000e-04
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6087900000e-01  5.1865900000e-01 -2.6131900000e-01  7.5287100000e-01  5.3610200000e-01 -2.4902100000e-01  2.5638030000e+00  1.2470660000e+00 -9.0920500000e-01  2.4171350000e+00  1.2501380000e+00 -1.8550960000e+00  2.4839250000e+00  2.1653100000e+00 -6.5098100000e-01
-ENERGY -1.526597800714e+02
-FORCES  6.2090000000e-03  4.6985000000e-03 -2.6236000000e-03  3.5315000000e-03 -9.9340000000e-04  2.9450000000e-04 -1.0742900000e-02 -2.1806000000e-03  2.2332000000e-03  3.5635000000e-03  3.5410000000e-03 -4.2516000000e-03 -6.6310000000e-04  4.8830000000e-04  5.6478000000e-03 -1.8981000000e-03 -5.5539000000e-03 -1.3004000000e-03
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0185000000e-02 -1.9372100000e-01  9.3476100000e-01  7.9739800000e-01  4.8848200000e-01 -2.0438600000e-01 -7.0619000000e-02 -2.5454190000e+00 -8.4429500000e-01  8.6658800000e-01 -2.6301820000e+00 -6.6910600000e-01 -3.1307100000e-01 -1.7063850000e+00 -4.5254100000e-01
-ENERGY -1.526559131022e+02
-FORCES  4.7397000000e-03 -4.8227000000e-03 -3.1554000000e-03 -8.4900000000e-05 -2.4883000000e-03 -6.9111000000e-03 -3.5819000000e-03 -2.3488000000e-03  2.7462000000e-03  3.4897000000e-03  1.7388100000e-02  3.9606000000e-03 -1.9360000000e-03 -1.5800000000e-04 -1.5420000000e-04 -2.6266000000e-03 -7.5704000000e-03  3.5138000000e-03
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9639200000e-01  3.0400300000e-01 -1.4246400000e-01  1.9002300000e-01  2.3080100000e-01  9.0931500000e-01  3.4474900000e-01  3.7930700000e-01  2.6607190000e+00  2.7211700000e-01 -5.2565800000e-01  2.9640270000e+00  1.1945460000e+00  6.7453400000e-01  2.9877010000e+00
-ENERGY -1.526609607761e+02
-FORCES  6.5700000000e-05  4.6882000000e-03  1.5293300000e-02  2.3198000000e-03 -1.0733000000e-03  1.1453000000e-03 -6.1520000000e-04 -3.1878000000e-03 -9.8299000000e-03  1.5847000000e-03 -3.1875000000e-03 -2.4944000000e-03  1.0448000000e-03  5.3196000000e-03 -2.1114000000e-03 -4.3998000000e-03 -2.5593000000e-03 -2.0030000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2412500000e-01  7.6399000000e-02  9.4603800000e-01  8.2823800000e-01 -3.5502600000e-01 -3.2281700000e-01  6.9086000000e-02  2.7044660000e+00 -7.3485400000e-01 -6.6536100000e-01  3.2937460000e+00 -5.6289600000e-01 -1.5330700000e-01  1.9004760000e+00 -2.6541500000e-01
-ENERGY -1.526594356831e+02
-FORCES  5.8867000000e-03 -1.2224000000e-03 -1.3290000000e-03 -1.1731000000e-03  3.0513000000e-03 -5.8753000000e-03 -4.2723000000e-03  8.5460000000e-04  2.8537000000e-03 -2.7963000000e-03 -1.0015000000e-02  1.8905000000e-03  1.9653000000e-03 -3.5292000000e-03  5.3600000000e-04  3.8970000000e-04  1.0860600000e-02  1.9240000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5800000000e-03 -1.9027000000e-01  9.3808700000e-01 -1.8593400000e-01  9.3742300000e-01 -5.3833000000e-02 -2.0832190000e+00 -1.3877060000e+00 -1.0348420000e+00 -2.0091740000e+00 -1.4524610000e+00 -1.9869740000e+00 -1.4095860000e+00 -7.5555000000e-01 -7.8418400000e-01
-ENERGY -1.526599434365e+02
-FORCES -2.9511000000e-03 -2.1326000000e-03  3.3351000000e-03 -1.0490000000e-04  2.3404000000e-03 -5.1157000000e-03 -1.0592000000e-03 -6.2818000000e-03 -5.7890000000e-04  1.3155400000e-02  6.9326000000e-03  3.7184000000e-03  7.8890000000e-04  1.4894000000e-03  2.9508000000e-03 -9.8291000000e-03 -2.3480000000e-03 -4.3097000000e-03
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2235000000e-01  4.2520700000e-01 -2.4325100000e-01  6.7936500000e-01  5.5248900000e-01 -3.8658800000e-01  2.0567710000e+00  1.4936180000e+00 -9.5603500000e-01  1.9092220000e+00  1.4947600000e+00 -1.9017940000e+00  2.0966720000e+00  2.4199540000e+00 -7.1825100000e-01
-ENERGY -1.526593994602e+02
-FORCES  1.0675900000e-02  9.6238000000e-03 -4.7694000000e-03  3.5070000000e-03 -7.0700000000e-05 -1.9060000000e-04 -9.3838000000e-03 -5.9305000000e-03  4.5410000000e-04 -2.3762000000e-03  1.2239000000e-03  5.9270000000e-04 -1.6117000000e-03 -3.0000000000e-06  6.3790000000e-03 -8.1130000000e-04 -4.8434000000e-03 -2.4658000000e-03
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2225800000e-01  2.3780400000e-01 -9.1909400000e-01  7.2724200000e-01 -5.9148600000e-01  1.9363500000e-01  1.5921800000e-01  4.1199800000e-01 -2.9882660000e+00 -5.7779800000e-01 -1.8575900000e-01 -3.1136670000e+00  9.0011000000e-01 -3.0271000000e-02 -3.4026440000e+00
-ENERGY -1.526607620502e+02
-FORCES  3.9382000000e-03  1.0259000000e-03 -7.9677000000e-03 -2.1542000000e-03 -3.3416000000e-03  9.7751000000e-03 -2.3279000000e-03  1.6368000000e-03 -1.0802000000e-03 -4.0260000000e-04 -3.8287000000e-03 -5.3305000000e-03  4.7466000000e-03  2.9078000000e-03  1.9092000000e-03 -3.8002000000e-03  1.5999000000e-03  2.6941000000e-03
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0833800000e-01  4.3793300000e-01  2.6652700000e-01  7.3681000000e-02 -8.8216000000e-01  3.6413800000e-01 -9.8660000000e-03 -2.4142310000e+00  9.3111500000e-01 -6.6899400000e-01 -3.0835770000e+00  7.4738200000e-01  8.1860500000e-01 -2.8931310000e+00  9.5396000000e-01
-ENERGY -1.526575367166e+02
-FORCES -1.3360000000e-04 -1.8092600000e-02  7.8463000000e-03 -1.3731000000e-03 -3.6251000000e-03 -3.1000000000e-06  2.5753000000e-03  7.6567000000e-03 -2.2258000000e-03 -1.4450000000e-03  9.6993000000e-03 -6.8006000000e-03  4.9926000000e-03  1.7021000000e-03  1.5566000000e-03 -4.6162000000e-03  2.6597000000e-03 -3.7330000000e-04
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7503700000e-01  6.7647000000e-02  9.3862600000e-01  2.4631100000e-01  8.5524500000e-01 -3.5230600000e-01  4.9069800000e-01  2.4678750000e+00 -1.0880870000e+00 -2.8017200000e-01  2.9240970000e+00 -7.5066700000e-01  1.2008730000e+00  3.1045460000e+00 -1.0072570000e+00
-ENERGY -1.526601287419e+02
-FORCES  4.9851000000e-03  1.1987800000e-02 -3.8185000000e-03 -5.2130000000e-04  1.0274000000e-03 -2.8795000000e-03 -5.1814000000e-03 -7.5082000000e-03  4.9021000000e-03  1.9650000000e-04 -3.1800000000e-05  2.1084000000e-03  5.1801000000e-03 -3.3501000000e-03 -3.8100000000e-04 -4.6591000000e-03 -2.1251000000e-03  6.8600000000e-05
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2984800000e-01 -3.9094200000e-01  2.7340200000e-01 -7.6690000000e-03  8.7508600000e-01  3.8781000000e-01  4.2123760000e+00  3.7058400000e-01 -2.6220900000e-01  3.6187750000e+00 -1.2353300000e-01  3.0322700000e-01  4.3188270000e+00  1.2130730000e+00  1.7950600000e-01
-ENERGY -1.526545816377e+02
-FORCES -4.3723000000e-03  2.1199000000e-03  1.9056000000e-03  3.5582000000e-03  1.7027000000e-03 -1.0745000000e-03  4.6920000000e-04 -3.8302000000e-03 -1.1324000000e-03 -2.9757000000e-03  7.3400000000e-04  3.6936000000e-03  3.7908000000e-03  2.4177000000e-03 -1.7014000000e-03 -4.7020000000e-04 -3.1441000000e-03 -1.6910000000e-03
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0878400000e-01 -1.7050900000e-01 -9.3558800000e-01 -8.4802000000e-01  3.4322800000e-01  2.8158100000e-01  2.1995260000e+00  1.0743700000e+00  1.1173730000e+00  1.4601060000e+00  6.3729100000e-01  6.9493800000e-01  2.9718780000e+00  6.2496300000e-01  7.7424300000e-01
-ENERGY -1.526602552896e+02
-FORCES  3.0162000000e-03  4.7295000000e-03  1.2526000000e-03 -3.4440000000e-04  8.1460000000e-04  4.7923000000e-03  3.7553000000e-03 -2.1937000000e-03 -2.9444000000e-03 -1.1306800000e-02 -7.5106000000e-03 -6.9283000000e-03  7.9587000000e-03  3.4831000000e-03  4.1145000000e-03 -3.0790000000e-03  6.7700000000e-04 -2.8670000000e-04
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7804100000e-01  4.8855400000e-01 -2.6869800000e-01 -1.2947800000e-01 -8.7612200000e-01 -3.6315000000e-01 -3.0639600000e-01 -2.5283760000e+00 -1.3023630000e+00 -2.8217400000e-01 -2.3890270000e+00 -2.2490560000e+00 -1.0065410000e+00 -3.1678850000e+00 -1.1717590000e+00
-ENERGY -1.526612661383e+02
-FORCES -3.5447000000e-03 -9.1964000000e-03 -5.0299000000e-03  2.1671000000e-03 -1.7673000000e-03  2.9190000000e-04  1.2290000000e-03  9.6615000000e-03  3.8791000000e-03 -1.8048000000e-03 -1.2679000000e-03 -2.3685000000e-03 -1.2527000000e-03 -7.5200000000e-04  5.0178000000e-03  3.2061000000e-03  3.3221000000e-03 -1.7903000000e-03
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0827100000e-01  5.3436800000e-01 -3.5921400000e-01  7.9226600000e-01  5.1288800000e-01 -1.5966200000e-01 -2.0716100000e+00  1.1124710000e+00 -1.2433240000e+00 -2.0250230000e+00  1.1235860000e+00 -2.1993250000e+00 -2.8268710000e+00  5.5840800000e-01 -1.0462820000e+00
-ENERGY -1.526597653435e+02
-FORCES -1.1987100000e-02  9.0677000000e-03 -8.1044000000e-03  6.9755000000e-03 -4.3763000000e-03  5.8034000000e-03 -3.1600000000e-03 -6.6010000000e-04 -1.0061000000e-03  5.0095000000e-03 -6.8152000000e-03  3.6670000000e-04 -1.1854000000e-03 -6.5600000000e-05  4.7465000000e-03  4.3475000000e-03  2.8495000000e-03 -1.8059000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9822200000e-01  6.0901100000e-01 -2.4046700000e-01  8.0841700000e-01  4.6210100000e-01 -2.2171200000e-01  3.6454000000e-02  2.7763300000e-01  2.9597660000e+00 -2.1945000000e-02  1.4825600000e-01  2.0131490000e+00  3.1243500000e-01 -5.7277300000e-01  3.3016370000e+00
-ENERGY -1.526618687263e+02
-FORCES  6.6090000000e-04  4.0873000000e-03 -4.8770000000e-03  4.1597000000e-03 -2.9016000000e-03  2.4040000000e-03 -4.5794000000e-03 -2.2345000000e-03  1.9789000000e-03  2.0620000000e-04 -4.8343000000e-03 -8.6999000000e-03  1.1420000000e-04  3.1952000000e-03  1.0394300000e-02 -5.6150000000e-04  2.6879000000e-03 -1.2003000000e-03
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7364700000e-01 -1.1599800000e-01 -9.3414300000e-01 -7.6899600000e-01 -3.6872700000e-01  4.3464600000e-01 -2.4424600000e-01 -3.4289000000e-01 -2.8349690000e+00 -9.0791200000e-01 -8.6999200000e-01 -3.2798760000e+00  5.8978100000e-01 -6.9117300000e-01 -3.1501360000e+00
-ENERGY -1.526614589063e+02
-FORCES -3.7451000000e-03 -1.8184000000e-03 -9.9364000000e-03  1.8150000000e-03  7.2960000000e-04  1.0641000000e-02  1.9587000000e-03  8.0250000000e-04 -2.0318000000e-03  1.2177000000e-03 -3.1314000000e-03 -2.0844000000e-03  3.6806000000e-03  2.1259000000e-03  2.0590000000e-03 -4.9269000000e-03  1.2918000000e-03  1.3526000000e-03
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-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.6208000000e-02 -1.7150000000e-02  9.5219800000e-01 -1.0057300000e-01 -9.1912500000e-01 -2.4764000000e-01 -2.9008200000e-01 -2.3589410000e+00 -1.0353130000e+00  5.9717000000e-02 -2.2458670000e+00 -1.9191050000e+00  3.8529400000e-01 -2.8537960000e+00 -5.7139600000e-01
-ENERGY -1.526568714851e+02
-FORCES -4.5681000000e-03 -1.9110600000e-02 -7.7374000000e-03  5.9000000000e-06 -3.2667000000e-03 -3.3022000000e-03  5.3660000000e-03  7.6215000000e-03  5.8508000000e-03  4.1114000000e-03  9.3735000000e-03  2.9620000000e-04 -1.3072000000e-03 -1.0028000000e-03  5.8448000000e-03 -3.6080000000e-03  6.3851000000e-03 -9.5230000000e-04
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9503300000e-01 -1.4994000000e-02  9.3700000000e-01 -7.2956500000e-01 -4.6938700000e-01 -4.0452800000e-01  2.2125650000e+00 -1.0977460000e+00 -6.1637000000e-01  2.4686780000e+00 -1.0041220000e+00 -1.5339070000e+00  1.4383210000e+00 -5.4230700000e-01 -5.2544900000e-01
-ENERGY -1.526571088058e+02
-FORCES  1.2299200000e-02 -1.0034800000e-02 -8.5700000000e-04 -8.8280000000e-04 -3.2860000000e-04 -5.3104000000e-03  3.8027000000e-03  2.5362000000e-03  2.4638000000e-03 -1.8377300000e-02  1.0547600000e-02  5.5613000000e-03 -4.0024000000e-03  8.6660000000e-04  2.3970000000e-03  7.1607000000e-03 -3.5869000000e-03 -4.2546000000e-03
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4404500000e-01  1.5630400000e-01 -8.7945100000e-01 -6.9165100000e-01 -4.8999800000e-01  4.4469300000e-01 -2.1707840000e+00 -1.5777370000e+00  7.9247700000e-01 -3.0598980000e+00 -1.2456650000e+00  6.6823800000e-01 -2.2407720000e+00 -2.5182040000e+00  6.2860100000e-01
-ENERGY -1.526605267306e+02
-FORCES -1.0993900000e-02 -7.2946000000e-03  1.0757000000e-03  1.0293000000e-03  6.7200000000e-05  2.0162000000e-03  6.6925000000e-03  5.5997000000e-03 -1.2344000000e-03  3.3130000000e-04 -6.5590000000e-04 -2.1930000000e-03  4.2871000000e-03 -2.4377000000e-03 -2.2370000000e-04 -1.3462000000e-03  4.7214000000e-03  5.5910000000e-04
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8868600000e-01 -1.0359200000e-01 -9.3268300000e-01  1.5206300000e-01 -8.6811400000e-01  3.7347900000e-01  3.3656400000e-01 -8.9800000000e-04 -2.5199040000e+00 -4.1670800000e-01  5.0903600000e-01 -2.8178640000e+00  1.0965870000e+00  4.7925700000e-01 -2.8486100000e+00
-ENERGY -1.526577663432e+02
-FORCES  4.0173000000e-03 -1.4274000000e-03 -2.3379000000e-02 -2.7429000000e-03  5.7510000000e-04  8.8286000000e-03  3.7770000000e-04  1.7978000000e-03 -3.4567000000e-03 -1.9963000000e-03  3.2787000000e-03  1.4459600000e-02  5.3213000000e-03 -2.2651000000e-03  1.9713000000e-03 -4.9771000000e-03 -1.9591000000e-03  1.5762000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9860700000e-01  1.7352400000e-01  8.5278000000e-01  4.8282000000e-01  5.5900000000e-01 -6.0879800000e-01  2.0852910000e+00  1.4016700000e+00 -1.1840650000e+00  2.2251760000e+00  1.3807230000e+00 -2.1307570000e+00  2.2424900000e+00  2.3133440000e+00 -9.3835900000e-01
-ENERGY -1.526594730173e+02
-FORCES  1.2522500000e-02  7.1239000000e-03 -3.1687000000e-03 -2.0476000000e-03 -3.7470000000e-04 -1.3082000000e-03 -7.8614000000e-03 -3.5496000000e-03  1.1724000000e-03 -4.5500000000e-05  1.1113000000e-03 -6.0090000000e-04 -1.6399000000e-03  6.6160000000e-04  5.1883000000e-03 -9.2810000000e-04 -4.9726000000e-03 -1.2829000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5532200000e-01 -5.5551800000e-01 -1.9266700000e-01  7.5515600000e-01 -5.8062300000e-01 -9.4068000000e-02 -2.0723310000e+00 -3.6074310000e+00 -3.2793000000e-02 -2.9355830000e+00 -3.9652560000e+00 -2.4013100000e-01 -1.4570130000e+00 -4.2777960000e+00 -3.2982300000e-01
-ENERGY -1.526562825757e+02
-FORCES -9.9500000000e-04 -5.6774000000e-03 -7.1860000000e-04  3.8672000000e-03  4.0652000000e-03  2.6960000000e-04 -2.3408000000e-03  2.4831000000e-03  1.9520000000e-04 -1.9196000000e-03 -5.3650000000e-03 -1.6382000000e-03  3.7803000000e-03  1.3500000000e-03  7.8630000000e-04 -2.3921000000e-03  3.1441000000e-03  1.1058000000e-03
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3547900000e-01 -2.7632000000e-01  3.7663400000e-01 -8.5518000000e-02  9.1892500000e-01  2.5396000000e-01  2.1408200000e-01  2.4736670000e+00  8.5290900000e-01  1.2679500000e-01  2.5799390000e+00  1.8001780000e+00 -5.4043400000e-01  2.9367580000e+00  4.8892700000e-01
-ENERGY -1.526572071851e+02
-FORCES  5.6448000000e-03  1.9426900000e-02  7.8701000000e-03 -2.1164000000e-03  2.1500000000e-05 -2.1730000000e-04 -5.3978000000e-03 -5.5111000000e-03 -4.3823000000e-03 -2.0700000000e-03 -7.5452000000e-03  8.5900000000e-05  2.4800000000e-04 -5.1460000000e-04 -5.5562000000e-03  3.6914000000e-03 -5.8775000000e-03  2.1998000000e-03
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4625900000e-01 -3.5888700000e-01  2.6698000000e-01  6.4418700000e-01 -6.0335500000e-01  3.7042900000e-01 -3.6441800000e-01 -5.2603000000e-02 -2.7398520000e+00 -2.0701000000e-01 -2.8839000000e-02 -1.7959820000e+00 -1.1199960000e+00 -6.3119200000e-01 -2.8426540000e+00
-ENERGY -1.526595321748e+02
-FORCES -2.4000000000e-06 -3.2606000000e-03  1.9400000000e-05  4.7615000000e-03  9.3890000000e-04 -3.9191000000e-03 -4.3690000000e-03  2.7687000000e-03 -1.7870000000e-03  1.3153000000e-03 -4.2070000000e-04  1.3929600000e-02 -3.7400000000e-03 -1.6329000000e-03 -1.0228000000e-02  2.0346000000e-03  1.6066000000e-03  1.9852000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0631500000e-01 -8.0375200000e-01 -5.0883300000e-01 -2.9500600000e-01 -2.3254000000e-01  8.8041400000e-01 -4.3746000000e-02 -1.5828200000e-01  2.6477770000e+00 -7.7728800000e-01  3.9114500000e-01  2.9239580000e+00 -2.2325000000e-02 -8.6958200000e-01  3.2879530000e+00
-ENERGY -1.526575263638e+02
-FORCES  5.9550000000e-04 -3.4007000000e-03  1.4398600000e-02  3.5920000000e-04  1.6477000000e-03  3.3753000000e-03 -4.1194000000e-03  2.2673000000e-03 -8.6785000000e-03  3.5070000000e-04 -4.8400000000e-05 -2.3280000000e-03  3.4831000000e-03 -4.4883000000e-03 -3.5118000000e-03 -6.6910000000e-04  4.0224000000e-03 -3.2556000000e-03
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8180000000e-03 -2.7953100000e-01 -9.1547100000e-01 -8.4942700000e-01  4.2339600000e-01  1.2426100000e-01  2.2546040000e+00  1.1647930000e+00  1.2009130000e+00  2.1737610000e+00  1.0202400000e+00  2.1436750000e+00  1.4118490000e+00  8.8656900000e-01  8.4232300000e-01
-ENERGY -1.526610860048e+02
-FORCES  4.1300000000e-04  3.6130000000e-04 -3.4008000000e-03 -1.7733000000e-03  1.4876000000e-03  4.4857000000e-03  4.8456000000e-03 -1.8481000000e-03 -5.3510000000e-04 -9.5865000000e-03 -6.2106000000e-03 -3.0660000000e-03 -7.4010000000e-04  4.7200000000e-04 -2.8790000000e-03  6.8413000000e-03  5.7379000000e-03  5.3952000000e-03
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3427300000e-01  5.1514900000e-01 -3.3421200000e-01 -7.8215000000e-02 -8.4486300000e-01 -4.4308100000e-01  3.1126800000e-01 -6.5281000000e-02  2.9760670000e+00  1.8879600000e-01 -2.0888600000e-01  2.0376590000e+00  1.0357650000e+00  5.5787600000e-01  3.0309440000e+00
-ENERGY -1.526617146541e+02
-FORCES -3.6857000000e-03  2.1500000000e-05 -4.2672000000e-03  3.6621000000e-03 -3.0368000000e-03  8.7040000000e-04 -9.9300000000e-05  4.2672000000e-03  2.7021000000e-03  1.7309000000e-03  2.2529000000e-03 -9.5467000000e-03  6.0870000000e-04 -1.8018000000e-03  9.7894000000e-03 -2.2167000000e-03 -1.7030000000e-03  4.5190000000e-04
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8062000000e-01  5.5369900000e-01 -3.8263100000e-01  8.2218400000e-01  4.0076000000e-01 -2.8220100000e-01 -2.0333610000e+00  1.4393060000e+00 -8.0263000000e-01 -2.0639340000e+00  1.4086580000e+00 -1.7588510000e+00 -2.8600340000e+00  1.0457990000e+00 -5.2335400000e-01
-ENERGY -1.526585112678e+02
-FORCES -1.4372100000e-02  1.2351000000e-02 -5.0435000000e-03  8.4265000000e-03 -6.2121000000e-03 -8.6800000000e-05 -3.7939000000e-03  1.8030000000e-04 -7.9460000000e-04  3.6389000000e-03 -7.4322000000e-03  2.8808000000e-03  1.7287000000e-03 -1.1517000000e-03  5.9744000000e-03  4.3719000000e-03  2.2647000000e-03 -2.9304000000e-03
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0674000000e-02 -9.3918000000e-01 -1.7777800000e-01  8.3119500000e-01  2.7322600000e-01 -3.8819400000e-01  1.7615200000e-01 -2.5614830000e+00 -9.4517600000e-01 -2.0421100000e-01 -2.6593970000e+00 -1.8180840000e+00  9.9383900000e-01 -3.0576850000e+00 -9.8265600000e-01
-ENERGY -1.526598858525e+02
-FORCES  3.8240000000e-03 -1.3655100000e-02 -5.9933000000e-03 -2.3094000000e-03  7.6441000000e-03  3.1120000000e-03 -1.8293000000e-03 -2.6840000000e-04  9.8520000000e-04  1.3173000000e-03  3.7576000000e-03 -1.0185000000e-03  3.0577000000e-03 -1.7500000000e-05  4.2332000000e-03 -4.0602000000e-03  2.5393000000e-03 -1.3186000000e-03
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0210500000e-01 -5.5914000000e-02  9.5009500000e-01 -7.1325100000e-01  5.7130300000e-01 -2.8481200000e-01  2.6914010000e+00  1.1002920000e+00 -8.5587200000e-01  1.8443160000e+00  6.8785400000e-01 -6.8683100000e-01  2.5949170000e+00  1.9922170000e+00 -5.2211700000e-01
-ENERGY -1.526609698750e+02
-FORCES -4.6139000000e-03  6.1430000000e-04  3.7045000000e-03 -1.0080000000e-04  9.8620000000e-04 -4.8018000000e-03  4.1309000000e-03 -2.1645000000e-03  1.9123000000e-03 -8.3702000000e-03 -1.1485000000e-03  3.4012000000e-03  8.7580000000e-03  4.2980000000e-03 -3.2431000000e-03  1.9600000000e-04 -2.5855000000e-03 -9.7310000000e-04
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4720000000e-01  4.8401800000e-01 -3.5164000000e-01  7.6605800000e-01  4.4223600000e-01 -3.6580700000e-01  3.2153000000e-02 -2.8218190000e+00 -8.1437800000e-01  8.5373200000e-01 -3.2491370000e+00 -5.7222300000e-01  4.6581000000e-02 -1.9891180000e+00 -3.4253800000e-01
-ENERGY -1.526613557761e+02
-FORCES -6.8810000000e-04  3.7573000000e-03 -4.4228000000e-03  4.1695000000e-03 -1.4788000000e-03  1.6580000000e-03 -3.6957000000e-03 -2.0304000000e-03  1.8581000000e-03  1.6491000000e-03  7.7561000000e-03  4.3876000000e-03 -2.1672000000e-03  2.3408000000e-03 -7.8170000000e-04  7.3250000000e-04 -1.0345000000e-02 -2.6993000000e-03
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4505000000e-02  1.1740100000e-01 -9.4965700000e-01  7.6281000000e-02  8.8777300000e-01  3.4967600000e-01  2.1538200000e-01  2.5813020000e+00  6.2991800000e-01 -6.3949100000e-01  3.0024860000e+00  5.4031000000e-01  8.4067500000e-01  3.2413940000e+00  3.3072100000e-01
-ENERGY -1.526588490624e+02
-FORCES  2.8201000000e-03  1.7273700000e-02  1.3968000000e-03 -1.3530000000e-04 -1.4960000000e-04  2.1120000000e-03 -3.5381000000e-03 -7.2980000000e-03 -3.1710000000e-04  4.7170000000e-04 -5.6759000000e-03 -3.6498000000e-03  5.1229000000e-03 -2.2558000000e-03 -5.8440000000e-04 -4.7412000000e-03 -1.8944000000e-03  1.0425000000e-03
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9177800000e-01  2.5973600000e-01 -4.7101700000e-01  1.7874100000e-01 -8.9002300000e-01 -3.0355200000e-01 -2.2536340000e+00  1.2111270000e+00 -7.8256800000e-01 -2.3630640000e+00  1.0261900000e+00 -1.7153350000e+00 -2.9533360000e+00  7.1636800000e-01 -3.5611300000e-01
-ENERGY -1.526574748160e+02
-FORCES -1.2564900000e-02  7.0304000000e-03 -4.6960000000e-03  7.9357000000e-03 -8.2605000000e-03 -7.6700000000e-05 -3.2743000000e-03  3.5272000000e-03 -3.2760000000e-04 -3.0600000000e-04 -2.0094000000e-03  2.0526000000e-03  3.2330000000e-03 -1.7977000000e-03  6.4458000000e-03  4.9764000000e-03  1.5100000000e-03 -3.3981000000e-03
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4463500000e-01 -8.8322900000e-01 -2.7621100000e-01  8.4430000000e-01  1.5829700000e-01 -4.2229300000e-01 -1.6780500000e-01  2.8795400000e-01  2.6540890000e+00 -2.0309100000e-01  2.1391300000e-01  1.7004100000e+00 -9.5484000000e-01  7.8102300000e-01  2.8858010000e+00
-ENERGY -1.526607163844e+02
-FORCES  3.0720000000e-03 -9.8070000000e-04  5.6014000000e-03  1.8758000000e-03  4.8133000000e-03  1.5214000000e-03 -4.6906000000e-03 -2.0970000000e-03  9.9750000000e-04  3.0800000000e-05 -1.0080000000e-04 -1.5935100000e-02 -2.1767000000e-03 -1.4400000000e-05  1.0121600000e-02  1.8887000000e-03 -1.6204000000e-03 -2.3067000000e-03
-
-JOB 180
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4301600000e-01  4.0266700000e-01  2.0836400000e-01 -8.3915000000e-02 -9.0364500000e-01  3.0432700000e-01  9.1000000000e-05 -2.6343540000e+00  8.7297600000e-01  6.3148000000e-02 -2.5663870000e+00  1.8256760000e+00  8.6808200000e-01 -2.9271230000e+00  5.9529200000e-01
-ENERGY -1.526611641567e+02
-FORCES -3.1286000000e-03 -1.2816900000e-02  3.7163000000e-03  2.3713000000e-03 -2.1720000000e-03  4.2410000000e-04  1.5979000000e-03  1.1131500000e-02 -2.1098000000e-03  4.2789000000e-03  5.0940000000e-04  1.4806000000e-03 -3.0900000000e-04  8.5880000000e-04 -5.6108000000e-03 -4.8105000000e-03  2.4892000000e-03  2.0997000000e-03
-
-JOB 181
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5184000000e-02 -7.8429000000e-02 -9.5333300000e-01  1.9062400000e-01  9.2209700000e-01  1.7213700000e-01  6.7552100000e-01  2.6430200000e+00  5.6674900000e-01  7.0137900000e-01  2.6886410000e+00  1.5225110000e+00  1.5103570000e+00  3.0177450000e+00  2.8592800000e-01
-ENERGY -1.526611698536e+02
-FORCES  2.9439000000e-03  1.3038700000e-02 -5.9880000000e-04  5.3430000000e-04  7.5030000000e-04  2.5667000000e-03 -3.0294000000e-03 -1.0046800000e-02  4.0500000000e-05  3.2952000000e-03 -1.5820000000e-03  1.5007000000e-03  4.2920000000e-04 -8.1120000000e-04 -5.5445000000e-03 -4.1732000000e-03 -1.3490000000e-03  2.0354000000e-03
-
-JOB 182
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2237000000e-02 -1.1473400000e-01  9.4975200000e-01  8.3949400000e-01  4.3063600000e-01 -1.6135200000e-01  4.0053500000e-01 -2.7812000000e-02  2.8390560000e+00 -3.6189600000e-01  4.1126100000e-01  3.2160800000e+00  2.9409500000e-01 -9.4679800000e-01  3.0847520000e+00
-ENERGY -1.526607264963e+02
-FORCES  5.4551000000e-03  1.8722000000e-03  1.1928600000e-02 -4.4414000000e-03 -2.0194000000e-03 -8.5813000000e-03 -2.4445000000e-03 -1.1673000000e-03 -6.6330000000e-04 -1.7839000000e-03 -8.1290000000e-04  3.6950000000e-03  3.6805000000e-03 -3.1644000000e-03 -3.3331000000e-03 -4.6580000000e-04  5.2918000000e-03 -3.0459000000e-03
-
-JOB 183
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3865200000e-01 -3.0043000000e-02  7.9068600000e-01 -8.0841900000e-01 -4.5123500000e-01  2.4306000000e-01  3.8164000000e-02 -2.2487300000e-01  2.7342930000e+00  8.3196300000e-01 -5.9220400000e-01  3.1231160000e+00 -4.0945000000e-02  6.4469400000e-01  3.1265020000e+00
-ENERGY -1.526575505814e+02
-FORCES -2.7283000000e-03 -3.2981000000e-03  1.6080000000e-02  4.5942000000e-03  1.1593000000e-03 -5.5480000000e-03  5.9730000000e-04  1.1359000000e-03 -3.6703000000e-03 -4.3580000000e-04  2.8880000000e-03 -1.5740000000e-04 -3.2344000000e-03  2.8533000000e-03 -4.5696000000e-03  1.2069000000e-03 -4.7384000000e-03 -2.1348000000e-03
-
-JOB 184
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3141000000e-02 -9.1330600000e-01 -2.7421000000e-01  6.3530600000e-01  4.7120200000e-01 -5.3906200000e-01 -2.9185900000e-01  3.4534200000e-01  2.6978560000e+00 -1.7128700000e-01  2.3229600000e-01  1.7550330000e+00  4.4572000000e-01  8.9117900000e-01  2.9703800000e+00
-ENERGY -1.526604402199e+02
-FORCES  1.8736000000e-03 -6.2580000000e-04  2.4029000000e-03  3.3720000000e-04  5.2985000000e-03  9.7760000000e-04 -2.7291000000e-03 -3.2898000000e-03  2.5027000000e-03  3.2688000000e-03 -9.8200000000e-05 -1.4089400000e-02 -1.0516000000e-03  4.7800000000e-05  9.9441000000e-03 -1.6989000000e-03 -1.3325000000e-03 -1.7380000000e-03
-
-JOB 185
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1101000000e-01  4.9507400000e-01 -4.0693800000e-01 -6.7617000000e-02 -8.7507800000e-01 -3.8196600000e-01 -2.2579560000e+00  1.1150970000e+00 -1.2943020000e+00 -2.1973730000e+00  2.0528710000e+00 -1.1122540000e+00 -3.0664020000e+00  8.3859900000e-01 -8.6279800000e-01
-ENERGY -1.526607906780e+02
-FORCES -1.0540000000e-02  2.0107000000e-03 -8.3982000000e-03  8.2196000000e-03 -7.4110000000e-04  6.0217000000e-03  1.4100000000e-04  1.9796000000e-03  1.6512000000e-03 -2.9974000000e-03  1.0933000000e-03  2.5079000000e-03  8.1430000000e-04 -6.1070000000e-03  4.6310000000e-04  4.3625000000e-03  1.7645000000e-03 -2.2456000000e-03
-
-JOB 186
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3263300000e-01  2.9341100000e-01 -9.0141600000e-01  5.5291000000e-02 -9.5441100000e-01 -4.7687000000e-02  2.8331700000e-01  5.5103000000e-01 -2.6677330000e+00 -4.4754700000e-01  1.1387400000e+00 -2.8592170000e+00  1.0469500000e+00  9.8633200000e-01 -3.0466900000e+00
-ENERGY -1.526609084096e+02
-FORCES  2.7457000000e-03 -2.6030000000e-04 -1.5176800000e-02 -3.1978000000e-03  4.1350000000e-04  9.3582000000e-03 -6.7400000000e-05  2.4354000000e-03  2.8470000000e-04  3.7310000000e-04  2.0164000000e-03  1.5321000000e-03  4.8555000000e-03 -2.8614000000e-03  2.3598000000e-03 -4.7090000000e-03 -1.7436000000e-03  1.6419000000e-03
-
-JOB 187
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7759200000e-01 -3.3634100000e-01  1.8149000000e-01  8.6345000000e-02 -5.5828000000e-02 -9.5166200000e-01 -1.0047000000e-02 -1.5267600000e-01 -2.7986470000e+00  7.9259100000e-01 -4.5347600000e-01 -3.2247030000e+00 -7.1580700000e-01 -4.9659100000e-01 -3.3462380000e+00
-ENERGY -1.526605560842e+02
-FORCES -3.0956000000e-03 -1.4893000000e-03 -1.2616000000e-02  2.1068000000e-03  8.3760000000e-04 -5.6230000000e-04  2.3176000000e-03  3.6430000000e-04  9.1771000000e-03 -8.0460000000e-04 -2.1507000000e-03  8.5300000000e-05 -4.6355000000e-03  1.1750000000e-03  2.0801000000e-03  4.1112000000e-03  1.2631000000e-03  1.8359000000e-03
-
-JOB 188
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1419600000e-01 -4.2834000000e-01  2.6427700000e-01 -1.9500000000e-03  8.2843300000e-01  4.7950700000e-01  2.2381800000e-01  1.9060100000e-01 -2.7882960000e+00  1.3796500000e-01  3.0043700000e-01 -1.8413020000e+00 -5.2367600000e-01 -3.5380500000e-01 -3.0354940000e+00
-ENERGY -1.526614054750e+02
-FORCES  3.3178000000e-03 -2.5180000000e-04  1.4542000000e-03 -4.3644000000e-03  3.1777000000e-03 -1.3324000000e-03  7.7840000000e-04 -4.2618000000e-03 -3.5812000000e-03 -4.2756000000e-03 -2.4074000000e-03  1.2737700000e-02  2.3719000000e-03  2.3377000000e-03 -9.7477000000e-03  2.1719000000e-03  1.4056000000e-03  4.6940000000e-04
-
-JOB 189
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2278400000e-01 -6.8355400000e-01 -2.4723700000e-01  8.5979500000e-01 -3.9814900000e-01 -1.3587600000e-01  1.4311900000e-01 -3.9643000000e-01  2.9865480000e+00  1.1691800000e-01 -2.1361400000e-01  2.0473330000e+00  9.3609000000e-01 -9.1876900000e-01  3.1073380000e+00
-ENERGY -1.526597397016e+02
-FORCES -2.4870000000e-04 -3.8605000000e-03 -5.6253000000e-03  3.9760000000e-03  3.3378000000e-03  2.0223000000e-03 -4.6993000000e-03  1.5157000000e-03  3.6071000000e-03  1.4219000000e-03  1.2744000000e-03 -8.3670000000e-03  2.0746000000e-03 -3.8832000000e-03  9.9701000000e-03 -2.5245000000e-03  1.6158000000e-03 -1.6072000000e-03
-
-JOB 190
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2568700000e-01 -8.3442900000e-01 -4.5184300000e-01  6.1231000000e-01  5.9892000000e-01 -4.2732000000e-01  1.9779240000e+00  1.3549390000e+00 -1.4304550000e+00  1.8759490000e+00  1.0885830000e+00 -2.3441770000e+00  2.9134720000e+00  1.2550870000e+00 -1.2543520000e+00
-ENERGY -1.526601243880e+02
-FORCES  1.0572500000e-02  4.5151000000e-03 -7.3564000000e-03 -4.2540000000e-04  2.1621000000e-03  7.4170000000e-04 -7.8183000000e-03 -4.0522000000e-03  3.6455000000e-03  1.3881000000e-03 -2.9601000000e-03  6.9800000000e-05  7.2580000000e-04  1.3960000000e-04  5.2946000000e-03 -4.4428000000e-03  1.9540000000e-04 -2.3952000000e-03
-
-JOB 191
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7907000000e-02  3.0410000000e-02 -9.5551700000e-01 -8.3796700000e-01  4.1147800000e-01  2.1149200000e-01  4.6560690000e+00 -1.4824300000e-01 -2.2285500000e-01  4.8636380000e+00 -2.9367400000e-01 -1.1458920000e+00  5.4911370000e+00  9.7911000000e-02  1.7501800000e-01
-ENERGY -1.526530380042e+02
-FORCES -2.5697000000e-03  1.8942000000e-03 -3.0986000000e-03 -5.5680000000e-04 -1.9910000000e-04  3.7194000000e-03  3.4212000000e-03 -1.7032000000e-03 -7.7020000000e-04  4.0998000000e-03  3.8130000000e-04 -1.8304000000e-03 -9.9370000000e-04  6.4000000000e-04  3.6447000000e-03 -3.4008000000e-03 -1.0132000000e-03 -1.6649000000e-03
-
-JOB 192
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1822100000e-01  5.5265800000e-01 -3.0815500000e-01  7.8918300000e-01  4.1752000000e-01 -3.4510700000e-01 -2.2840860000e+00  1.5160700000e+00 -6.5961700000e-01 -3.0667090000e+00  1.2093190000e+00 -2.0175600000e-01 -2.2295360000e+00  2.4471420000e+00 -4.4430200000e-01
-ENERGY -1.526614592824e+02
-FORCES -8.0802000000e-03  7.0945000000e-03 -4.4849000000e-03  9.3519000000e-03 -5.2854000000e-03  2.7375000000e-03 -3.0830000000e-03 -7.6000000000e-05  9.4200000000e-04 -1.7177000000e-03  4.0280000000e-04  3.9404000000e-03  3.7144000000e-03  2.7026000000e-03 -2.2492000000e-03 -1.8550000000e-04 -4.8385000000e-03 -8.8570000000e-04
-
-JOB 193
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4590900000e-01 -6.9944100000e-01  9.9074000000e-02 -4.2621200000e-01  7.7412400000e-01  3.6784100000e-01 -2.1470030000e+00 -1.5978790000e+00  7.9037200000e-01 -2.0308720000e+00 -1.5864730000e+00  1.7404320000e+00 -2.2184310000e+00 -2.5262560000e+00  5.6845800000e-01
-ENERGY -1.526603582392e+02
-FORCES -1.2808800000e-02 -5.4717000000e-03  3.3024000000e-03  8.4731000000e-03  3.6558000000e-03 -2.2162000000e-03  1.8212000000e-03 -1.8575000000e-03 -1.3530000000e-04  1.5636000000e-03 -1.3271000000e-03  2.9076000000e-03 -4.1770000000e-04  1.3100000000e-05 -5.3823000000e-03  1.3686000000e-03  4.9873000000e-03  1.5238000000e-03
-
-JOB 194
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2600100000e-01 -5.9886000000e-01  5.3002000000e-01  8.3440300000e-01 -4.5390900000e-01 -1.1819700000e-01  5.9693200000e-01  2.2442000000e+00  1.2208300000e+00  4.2531000000e-01  1.4873640000e+00  6.6049300000e-01  1.3285710000e+00  2.6944000000e+00  7.9862700000e-01
-ENERGY -1.526584189338e+02
-FORCES  1.6965000000e-03  4.8444000000e-03  8.2713000000e-03  3.7358000000e-03  1.9078000000e-03 -3.4706000000e-03 -4.1212000000e-03  3.9834000000e-03  1.4416000000e-03 -5.0406000000e-03 -1.5002700000e-02 -9.7791000000e-03  5.5388000000e-03  8.1377000000e-03  3.7236000000e-03 -1.8093000000e-03 -3.8705000000e-03 -1.8680000000e-04
-
-JOB 195
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3941400000e-01 -9.2403600000e-01  2.0725000000e-01  8.4287200000e-01  4.1623300000e-01  1.8041200000e-01  4.5299000000e-02 -2.6576440000e+00  7.6542300000e-01  3.3989900000e-01 -2.7868920000e+00  1.6669420000e+00  7.1993500000e-01 -3.0755840000e+00  2.3023600000e-01
-ENERGY -1.526596546747e+02
-FORCES  1.1498000000e-03 -1.2363200000e-02  4.5295000000e-03  2.8771000000e-03  1.0068900000e-02 -4.6002000000e-03 -2.1508000000e-03 -2.9151000000e-03  4.1800000000e-05  1.4990000000e-03 -4.3200000000e-04  2.3067000000e-03 -4.5520000000e-04  7.2650000000e-04 -5.4346000000e-03 -2.9200000000e-03  4.9149000000e-03  3.1568000000e-03
-
-JOB 196
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4237000000e-02 -1.1620600000e-01 -9.5001300000e-01  7.5219200000e-01 -5.1414400000e-01  2.9342100000e-01  1.9248050000e+00 -1.6475340000e+00  1.1874820000e+00  1.7873560000e+00 -2.4731940000e+00  7.2312800000e-01  2.8341730000e+00 -1.4150980000e+00  9.9971900000e-01
-ENERGY -1.526598949094e+02
-FORCES  8.9528000000e-03 -6.9391000000e-03  4.1747000000e-03  1.2781000000e-03 -9.9950000000e-04  3.3699000000e-03 -6.9910000000e-03  5.5674000000e-03 -7.4011000000e-03  1.8217000000e-03 -2.5254000000e-03 -6.9470000000e-04  6.4320000000e-04  6.0105000000e-03  9.0830000000e-04 -5.7048000000e-03 -1.1139000000e-03 -3.5700000000e-04
-
-JOB 197
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7415200000e-01 -5.4043200000e-01 -1.5765100000e-01  2.3683100000e-01  8.6322900000e-01 -3.3908600000e-01  4.4042000000e-02  2.6517620000e+00 -1.1864700000e+00  8.9064000000e-01  3.0288060000e+00 -9.4701000000e-01 -5.9988100000e-01  3.2766820000e+00 -8.5319800000e-01
-ENERGY -1.526600181502e+02
-FORCES  1.2519000000e-03  7.2864000000e-03 -5.3299000000e-03 -1.9366000000e-03  3.0995000000e-03  1.5430000000e-04  3.2669000000e-03 -8.9554000000e-03  5.5379000000e-03 -2.4382000000e-03  5.0008000000e-03  1.6346000000e-03 -4.2298000000e-03 -4.2799000000e-03 -6.0200000000e-05  4.0857000000e-03 -2.1514000000e-03 -1.9367000000e-03
-
-JOB 198
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1212000000e-02  7.4630000000e-02 -9.5405000000e-01 -1.3824400000e-01 -9.3272700000e-01  1.6474400000e-01  2.0905160000e+00 -3.7701730000e+00  1.2346900000e-01  2.0660040000e+00 -4.7091950000e+00  3.0750600000e-01  2.9661660000e+00 -3.4951460000e+00  3.9518300000e-01
-ENERGY -1.526559867245e+02
-FORCES  5.8800000000e-05 -4.6213000000e-03 -3.1923000000e-03 -2.3900000000e-04  2.0360000000e-04  3.6280000000e-03 -5.1480000000e-04  4.9577000000e-03 -5.0800000000e-04  4.2228000000e-03 -2.9169000000e-03  2.0430000000e-03  9.9900000000e-05  3.9118000000e-03 -7.6510000000e-04 -3.6277000000e-03 -1.5348000000e-03 -1.2057000000e-03
-
-JOB 199
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1801300000e-01  2.6192000000e-02  9.4953600000e-01  8.7400000000e-04  9.1915800000e-01 -2.6717000000e-01 -2.2599290000e+00 -1.1820100000e+00 -1.1162220000e+00 -2.3028970000e+00 -1.2154490000e+00 -2.0718730000e+00 -1.4184400000e+00 -7.6633500000e-01 -9.2822600000e-01
-ENERGY -1.526609922788e+02
-FORCES -3.1098000000e-03  1.5822000000e-03  4.0837000000e-03  1.3056000000e-03  1.1087000000e-03 -4.8990000000e-03 -1.1460000000e-03 -5.3356000000e-03  6.5980000000e-04  1.0675800000e-02  3.9103000000e-03  3.1306000000e-03  1.6324000000e-03  1.4410000000e-03  3.1559000000e-03 -9.3579000000e-03 -2.7067000000e-03 -6.1310000000e-03
-
-JOB 200
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3885300000e-01  4.9960300000e-01 -3.4745500000e-01 -1.2772300000e-01 -8.8544800000e-01 -3.4044100000e-01 -1.7976000000e-02  1.0747600000e-01  2.6665970000e+00  7.4452000000e-02  1.6150500000e-01  1.7154030000e+00  6.6741200000e-01  6.8225100000e-01  3.0073460000e+00
-ENERGY -1.526607326832e+02
-FORCES -3.1391000000e-03 -2.4357000000e-03  5.5763000000e-03  3.8356000000e-03 -3.2368000000e-03  2.0867000000e-03 -2.5010000000e-04  5.2367000000e-03  8.0810000000e-04  1.9449000000e-03 -1.4090000000e-04 -1.6176500000e-02 -6.1410000000e-04  1.8124000000e-03  1.0532200000e-02 -1.7771000000e-03 -1.2357000000e-03 -2.8269000000e-03
-
-JOB 201
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8457000000e-02 -2.4631300000e-01 -9.2416600000e-01  8.2169600000e-01 -3.7676800000e-01  3.1479100000e-01 -1.2690400000e-01 -1.8027900000e-01 -2.7574650000e+00 -9.5019500000e-01 -6.3023400000e-01 -2.9471060000e+00  5.4356700000e-01 -7.2001600000e-01 -3.1762540000e+00
-ENERGY -1.526594470071e+02
-FORCES  1.9214000000e-03 -8.4720000000e-04 -1.3403800000e-02 -1.0959000000e-03 -2.4058000000e-03  1.0785900000e-02 -2.1726000000e-03  7.3820000000e-04 -2.3274000000e-03 -3.4980000000e-04 -1.5771000000e-03 -1.2623000000e-03  5.4386000000e-03  1.8114000000e-03  2.7167000000e-03 -3.7417000000e-03  2.2805000000e-03  3.4910000000e-03
-
-JOB 202
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8714500000e-01 -8.5388800000e-01  3.8998000000e-01 -7.5576300000e-01  5.4012300000e-01  2.3091300000e-01  2.2508380000e+00  1.1899150000e+00  1.3112480000e+00  1.4509370000e+00  7.5171900000e-01  1.0207750000e+00  2.9492300000e+00  7.7473900000e-01  8.0517500000e-01
-ENERGY -1.526608809145e+02
-FORCES -4.2202000000e-03 -6.3200000000e-04  4.8550000000e-04  1.9463000000e-03  5.2878000000e-03 -1.1756000000e-03  4.7992000000e-03 -3.2596000000e-03 -9.3700000000e-05 -7.2173000000e-03 -6.1389000000e-03 -8.3782000000e-03  6.4088000000e-03  3.8801000000e-03  7.2681000000e-03 -1.7167000000e-03  8.6260000000e-04  1.8939000000e-03
-
-JOB 203
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2430500000e-01 -1.9045300000e-01  1.6006300000e-01 -1.0842700000e-01  9.1058200000e-01  2.7443700000e-01  2.6798100000e-01  3.0930180000e+00  8.6403000000e-01  4.5351400000e-01  3.2199700000e+00  1.7944560000e+00  1.0447900000e+00  3.4284150000e+00  4.1647200000e-01
-ENERGY -1.526601558460e+02
-FORCES  2.7766000000e-03  6.6968000000e-03  2.5889000000e-03 -2.7779000000e-03  3.4340000000e-04 -6.4930000000e-04 -2.9940000000e-04 -9.0950000000e-03 -2.3036000000e-03  4.0074000000e-03  5.1260000000e-03  2.4195000000e-03 -3.4080000000e-04 -9.2140000000e-04 -4.6877000000e-03 -3.3659000000e-03 -2.1497000000e-03  2.6321000000e-03
-
-JOB 204
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9049600000e-01  3.4237000000e-01  4.1728900000e-01  1.5527100000e-01 -8.3965700000e-01  4.3255000000e-01  2.0481960000e+00  1.7298190000e+00  9.1021100000e-01  1.3152360000e+00  1.1502900000e+00  7.0249400000e-01  2.8224440000e+00  1.2556490000e+00  6.0700600000e-01
-ENERGY -1.526602949554e+02
-FORCES -2.7784000000e-03 -1.8693000000e-03  1.9817000000e-03  5.8853000000e-03 -1.4822000000e-03 -1.2471000000e-03  2.4290000000e-04  5.5703000000e-03 -1.6856000000e-03 -7.1102000000e-03 -9.1107000000e-03 -6.8230000000e-03  6.0139000000e-03  6.1227000000e-03  6.4652000000e-03 -2.2535000000e-03  7.6910000000e-04  1.3087000000e-03
-
-JOB 205
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8830000000e-03  1.8603000000e-02  9.5700100000e-01  7.7074000000e-01  5.0729900000e-01 -2.5463700000e-01 -1.0729300000e-01 -2.5644090000e+00 -9.3264400000e-01 -8.5252100000e-01 -3.1217610000e+00 -7.0853500000e-01 -2.6794400000e-01 -1.7475180000e+00 -4.6029600000e-01
-ENERGY -1.526598358905e+02
-FORCES  5.2328000000e-03 -1.6281000000e-03 -1.8837000000e-03 -2.2610000000e-04 -1.8437000000e-03 -5.3451000000e-03 -4.0062000000e-03 -1.1153000000e-03  2.9646000000e-03 -9.0600000000e-04  1.1778300000e-02  3.5111000000e-03  2.0086000000e-03  3.5916000000e-03  8.2290000000e-04 -2.1031000000e-03 -1.0782700000e-02 -6.9800000000e-05
-
-JOB 206
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2558000000e-02  3.7747000000e-02  9.5288600000e-01 -8.4572000000e-02  9.1003700000e-01 -2.8445100000e-01 -1.6016500000e-01  2.7683740000e+00 -6.0939200000e-01 -2.4505400000e-01  2.8991610000e+00 -1.5538080000e+00  6.3329900000e-01  3.2478080000e+00 -3.7108300000e-01
-ENERGY -1.526614171345e+02
-FORCES -1.8755000000e-03  1.2643300000e-02  4.6140000000e-04  7.9810000000e-04 -3.0000000000e-06 -2.5099000000e-03  8.7600000000e-04 -1.0432000000e-02  2.3550000000e-04  3.1811000000e-03  1.4807000000e-03 -1.8297000000e-03  1.2446000000e-03 -1.3827000000e-03  5.2155000000e-03 -4.2244000000e-03 -2.3063000000e-03 -1.5729000000e-03
-
-JOB 207
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9481000000e-02  3.9300000000e-02 -9.5308400000e-01 -1.5917900000e-01  8.9779000000e-01  2.9131800000e-01  4.0942000000e-02  2.1168400000e-01 -2.7199170000e+00  8.7727300000e-01 -1.5235000000e-02 -3.1264760000e+00 -1.3575600000e-01  1.1044110000e+00 -3.0166480000e+00
-ENERGY -1.526599117432e+02
-FORCES -3.9810000000e-04  2.8518000000e-03 -1.4913800000e-02 -5.8350000000e-04 -1.3190000000e-04  1.0198300000e-02  3.8840000000e-04 -2.0213000000e-03 -2.0195000000e-03  3.5782000000e-03  1.4122000000e-03  3.1069000000e-03 -4.6168000000e-03  2.2510000000e-03  1.2833000000e-03  1.6320000000e-03 -4.3617000000e-03  2.3447000000e-03
-
-JOB 208
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8549900000e-01 -2.1148100000e-01  9.1493000000e-01 -7.9305000000e-01 -2.5585300000e-01 -4.7100200000e-01 -1.5746500000e-01  4.7639000000e-02  2.7333890000e+00 -1.0050120000e+00 -3.7903300000e-01  2.8592690000e+00  4.8219600000e-01 -5.9270400000e-01  3.0448820000e+00
-ENERGY -1.526571077287e+02
-FORCES -1.6057000000e-03  1.1481000000e-03  1.3033800000e-02 -2.1855000000e-03 -4.8158000000e-03 -9.8455000000e-03  1.7690000000e-03  5.3430000000e-04  4.0504000000e-03  1.0157000000e-03 -1.4812000000e-03  1.2947000000e-03  5.3966000000e-03  1.5548000000e-03 -5.1852000000e-03 -4.3901000000e-03  3.0598000000e-03 -3.3482000000e-03
-
-JOB 209
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1053800000e-01  2.7501500000e-01 -9.1015400000e-01  8.1028500000e-01  4.2430800000e-01  2.8219400000e-01 -2.3390850000e+00  7.3437000000e-01  1.4618870000e+00 -1.6034670000e+00  3.6891600000e-01  9.7042000000e-01 -2.4103560000e+00  1.6370110000e+00  1.1514180000e+00
-ENERGY -1.526607031996e+02
-FORCES  2.4914000000e-03  2.8351000000e-03 -8.1050000000e-04  2.2880000000e-04 -2.5270000000e-04  5.3688000000e-03 -4.0761000000e-03 -1.6295000000e-03 -2.5852000000e-03  1.0043800000e-02 -1.0314000000e-03 -6.6905000000e-03 -9.0668000000e-03  2.5461000000e-03  4.1767000000e-03  3.7900000000e-04 -2.4676000000e-03  5.4070000000e-04
-
-JOB 210
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7003600000e-01  3.5496400000e-01 -4.4415800000e-01  8.5876000000e-02 -8.8962700000e-01 -3.4266600000e-01  2.1698760000e+00  1.4478510000e+00 -1.0154410000e+00  1.4010410000e+00  1.0185200000e+00 -6.4020800000e-01  2.9002010000e+00  8.7125200000e-01 -7.9096400000e-01
-ENERGY -1.526606804333e+02
-FORCES -1.2208000000e-03 -1.6540000000e-03 -3.7982000000e-03  5.2897000000e-03 -1.8353000000e-03  1.7139000000e-03 -2.6000000000e-05  5.0731000000e-03  1.4987000000e-03 -8.5396000000e-03 -8.3819000000e-03  7.2206000000e-03  6.9186000000e-03  5.9395000000e-03 -5.7246000000e-03 -2.4219000000e-03  8.5860000000e-04 -9.1030000000e-04
-
-JOB 211
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.9321000000e-02  1.0319700000e-01  9.4642400000e-01 -3.8282900000e-01  7.9563400000e-01 -3.6965000000e-01  2.1066880000e+00 -1.3992370000e+00 -7.7488800000e-01  1.2636300000e+00 -1.0706500000e+00 -4.6261200000e-01  2.2426240000e+00 -2.2121520000e+00 -2.8814100000e-01
-ENERGY -1.526586309817e+02
-FORCES  7.5120000000e-03 -7.0530000000e-04 -3.1644000000e-03  2.9690000000e-04 -5.6960000000e-04 -4.9340000000e-03  7.3620000000e-04 -3.0588000000e-03  4.0080000000e-03 -1.2620800000e-02  7.4792000000e-03  3.8532000000e-03  6.2813000000e-03 -6.6441000000e-03  8.7200000000e-05 -2.2056000000e-03  3.4986000000e-03  1.5010000000e-04
-
-JOB 212
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3570100000e-01  3.7311900000e-01  2.8038800000e-01 -2.2385000000e-02 -9.0326000000e-01  3.1599300000e-01  4.1027480000e+00 -1.6277800000e-01 -1.8392600000e-01  4.2116030000e+00 -2.0723100000e-01 -1.1338770000e+00  4.7433450000e+00  4.8898800000e-01  1.0079900000e-01
-ENERGY -1.526535580291e+02
-FORCES -2.6112000000e-03 -2.5708000000e-03  2.9072000000e-03  3.4766000000e-03 -1.3432000000e-03 -1.2044000000e-03 -7.1340000000e-04  3.6272000000e-03 -1.5189000000e-03  2.1007000000e-03  3.2085000000e-03 -2.9776000000e-03  9.5200000000e-05 -1.5870000000e-04  3.8673000000e-03 -2.3479000000e-03 -2.7629000000e-03 -1.0736000000e-03
-
-JOB 213
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5292500000e-01 -4.0536600000e-01 -1.5630100000e-01  1.3435600000e-01 -8.0125000000e-02  9.4433100000e-01  3.0882800000e-01  2.5742640000e+00 -8.2967700000e-01 -4.1764100000e-01  2.9839680000e+00 -3.5997900000e-01  3.6977700000e-01  1.6946210000e+00 -4.5719200000e-01
-ENERGY -1.526590062363e+02
-FORCES -3.7414000000e-03  2.8555000000e-03 -1.5573000000e-03  4.2818000000e-03  1.3983000000e-03  2.5927000000e-03 -1.4867000000e-03  2.3595000000e-03 -5.3459000000e-03 -3.8832000000e-03 -1.4121900000e-02  5.3580000000e-03  1.7152000000e-03 -1.5800000000e-03 -9.7570000000e-04  3.1143000000e-03  9.0887000000e-03 -7.1700000000e-05
-
-JOB 214
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1578000000e-02  6.7659000000e-02  9.5281800000e-01 -7.7737900000e-01 -5.3721000000e-01 -1.5270400000e-01 -1.9582860000e+00 -1.6624760000e+00 -7.9715400000e-01 -2.7536400000e+00 -1.2873620000e+00 -4.1908900000e-01 -1.9832950000e+00 -2.5847780000e+00 -5.4227400000e-01
-ENERGY -1.526584372757e+02
-FORCES -1.0346000000e-02 -1.0527900000e-02 -3.5462000000e-03 -1.9237000000e-03 -1.5089000000e-03 -3.0035000000e-03  3.7983000000e-03  8.8057000000e-03  5.2222000000e-03  2.6741000000e-03 -8.4570000000e-04  2.1466000000e-03  7.0063000000e-03 -1.1081000000e-03  3.0000000000e-06 -1.2089000000e-03  5.1849000000e-03 -8.2210000000e-04
-
-JOB 215
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2403700000e-01 -4.5210700000e-01 -4.3313000000e-01 -5.0294000000e-02  8.4876300000e-01 -4.3966200000e-01 -4.5898900000e-01  2.5661200000e+00 -6.6132100000e-01 -1.2028540000e+00  3.0639660000e+00 -3.2213600000e-01  3.0539300000e-01  2.9609250000e+00 -2.4170000000e-01
-ENERGY -1.526593963860e+02
-FORCES -3.5189000000e-03  1.2006200000e-02 -5.0566000000e-03 -1.8207000000e-03  3.9700000000e-03  6.8930000000e-04  6.3805000000e-03 -8.2937000000e-03  2.2639000000e-03 -1.9798000000e-03 -3.6259000000e-03  5.9464000000e-03  4.6931000000e-03 -4.6720000000e-04 -1.4628000000e-03 -3.7541000000e-03 -3.5894000000e-03 -2.3803000000e-03
-
-JOB 216
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8490000000e-02  5.8764000000e-02 -9.5216500000e-01 -8.6161800000e-01 -2.9561300000e-01  2.9403800000e-01  1.7562080000e+00 -1.1968900000e+00  3.0776860000e+00  1.7765030000e+00 -1.3698250000e+00  2.1364560000e+00  9.6031500000e-01 -6.8182500000e-01  3.2099500000e+00
-ENERGY -1.526566782484e+02
-FORCES -4.4268000000e-03  9.0800000000e-05 -4.4786000000e-03  4.8100000000e-05 -3.5130000000e-04  4.1253000000e-03  4.1967000000e-03  1.0760000000e-03 -5.5160000000e-04 -3.1292000000e-03  2.7565000000e-03 -5.0992000000e-03  8.5400000000e-04 -1.0392000000e-03  5.2775000000e-03  2.4573000000e-03 -2.5327000000e-03  7.2660000000e-04
-
-JOB 217
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4056800000e-01  1.8250100000e-01  9.0832400000e-01  2.7974200000e-01  8.4633000000e-01 -3.4885700000e-01 -2.4765080000e+00 -8.9905800000e-01 -1.0769960000e+00 -3.1789430000e+00 -4.6900700000e-01 -5.8927300000e-01 -1.6768730000e+00 -4.6604000000e-01 -7.7814500000e-01
-ENERGY -1.526599483067e+02
-FORCES  1.8095000000e-03  2.4586000000e-03  2.9154000000e-03 -3.5350000000e-04 -2.7150000000e-04 -5.8576000000e-03 -3.1081000000e-03 -4.5310000000e-03  1.9904000000e-03  9.1688000000e-03  4.3968000000e-03  4.9169000000e-03  3.3105000000e-03 -8.0130000000e-04 -6.1550000000e-04 -1.0827100000e-02 -1.2516000000e-03 -3.3496000000e-03
-
-JOB 218
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7683400000e-01 -3.7550200000e-01 -5.6313900000e-01 -2.8707200000e-01  7.8750900000e-01 -4.6222300000e-01  1.9675490000e+00 -1.4041340000e+00 -1.5619190000e+00  1.8705110000e+00 -2.1871720000e+00 -1.0200090000e+00  2.7266980000e+00 -9.5097300000e-01 -1.1950810000e+00
-ENERGY -1.526608874392e+02
-FORCES  5.7452000000e-03 -3.1009000000e-03 -9.2130000000e-03 -4.8891000000e-03  4.6919000000e-03  8.8072000000e-03  1.7029000000e-03 -2.4070000000e-03  1.1539000000e-03  3.7087000000e-03 -3.8560000000e-03  2.3792000000e-03 -3.1300000000e-05  5.8993000000e-03 -2.1905000000e-03 -6.2364000000e-03 -1.2273000000e-03 -9.3690000000e-04
-
-JOB 219
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3244900000e-01 -5.7558200000e-01 -2.2012700000e-01  1.7205400000e-01  8.0491400000e-01 -4.8861300000e-01  4.6522500000e-01 -4.2517300000e-01  2.6678280000e+00  2.5699800000e-01 -5.0541700000e-01  1.7370030000e+00  4.5012800000e-01  5.1687700000e-01  2.8367810000e+00
-ENERGY -1.526570326689e+02
-FORCES  3.9335000000e-03  2.9203000000e-03  2.7929000000e-03 -4.5154000000e-03  3.1285000000e-03  5.2251000000e-03 -2.9520000000e-04 -4.3699000000e-03  1.6810000000e-03 -4.7767000000e-03  7.4586000000e-03 -1.3555400000e-02  4.9555000000e-03 -7.0007000000e-03  2.9141000000e-03  6.9830000000e-04 -2.1368000000e-03  9.4230000000e-04
-
-JOB 220
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9480000000e-03  2.3745800000e-01  9.2726000000e-01  8.3422500000e-01 -4.4854900000e-01 -1.3822000000e-01 -2.4265190000e+00 -8.2714000000e-01 -8.8627500000e-01 -2.5064750000e+00 -5.4998200000e-01 -1.7989760000e+00 -1.5841590000e+00 -4.7325700000e-01 -6.0091900000e-01
-ENERGY -1.526608714532e+02
-FORCES -2.7701000000e-03 -4.1622000000e-03  1.0900000000e-05  7.1430000000e-04 -1.8722000000e-03 -4.9090000000e-03 -3.2920000000e-03  3.1320000000e-03  1.9238000000e-03  1.3382600000e-02  5.2349000000e-03  2.5275000000e-03  1.3741000000e-03 -7.3980000000e-04  2.4905000000e-03 -9.4090000000e-03 -1.5928000000e-03 -2.0438000000e-03
-
-JOB 221
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7294900000e-01 -2.3726200000e-01 -3.1288700000e-01  2.2183000000e-02  9.5551400000e-01 -5.2277000000e-02  7.7592000000e-02  4.7388200000e-01  2.5912100000e+00 -1.0284600000e-01  1.2079700000e-01  1.7200020000e+00  7.6172500000e-01 -9.5198000000e-02  2.9438310000e+00
-ENERGY -1.526586387985e+02
-FORCES -5.5000000000e-05  5.2411000000e-03  4.5574000000e-03  4.5260000000e-03  1.9837000000e-03  4.3895000000e-03 -1.6306000000e-03 -6.7270000000e-03  2.2941000000e-03  1.3894000000e-03 -7.2970000000e-03 -1.7418600000e-02 -2.3546000000e-03  5.5656000000e-03  7.9514000000e-03 -1.8751000000e-03  1.2336000000e-03 -1.7738000000e-03
-
-JOB 222
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2809700000e-01 -9.2405800000e-01 -2.1433800000e-01  8.8354900000e-01  1.9810300000e-01 -3.1036600000e-01 -2.1138290000e+00  1.5438160000e+00 -8.7229700000e-01 -2.3224790000e+00  1.5478910000e+00 -1.8064700000e+00 -1.3496400000e+00  9.7201300000e-01 -7.9957100000e-01
-ENERGY -1.526599649086e+02
-FORCES  1.4377000000e-03 -1.1880000000e-03 -1.5250000000e-04  5.2780000000e-04  5.8015000000e-03 -3.3940000000e-04 -5.2691000000e-03 -1.5281000000e-03  6.8600000000e-04  9.5797000000e-03 -6.6309000000e-03  2.7164000000e-03  2.2749000000e-03 -1.3662000000e-03  3.0247000000e-03 -8.5510000000e-03  4.9117000000e-03 -5.9353000000e-03
-
-JOB 223
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8002500000e-01  4.8392700000e-01 -2.7130700000e-01  7.3204800000e-01  5.5783300000e-01 -2.6298400000e-01  2.0945190000e+00  1.4540020000e+00 -1.2367340000e+00  2.1489580000e+00  1.4241500000e+00 -2.1919190000e+00  2.0269610000e+00  2.3859910000e+00 -1.0292180000e+00
-ENERGY -1.526601972721e+02
-FORCES  7.2912000000e-03  7.0795000000e-03 -6.3169000000e-03  2.6085000000e-03 -9.1560000000e-04  5.1200000000e-04 -7.7224000000e-03 -3.0735000000e-03  6.1896000000e-03 -8.1730000000e-04  4.9850000000e-04 -4.0494000000e-03  7.0400000000e-05  1.8080000000e-03  4.7027000000e-03 -1.4304000000e-03 -5.3968000000e-03 -1.0379000000e-03
-
-JOB 224
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1129000000e-02 -7.7100000000e-02 -9.5213000000e-01  7.5732500000e-01 -4.8413700000e-01  3.2909100000e-01 -2.6504200000e-01  2.4887480000e+00  3.2910590000e+00 -1.5525500000e-01  2.6400080000e+00  2.3522840000e+00  4.0435200000e-01  3.0356820000e+00  3.7021640000e+00
-ENERGY -1.526551485164e+02
-FORCES  3.1040000000e-03 -3.5160000000e-03 -2.4292000000e-03 -1.7190000000e-04  5.1210000000e-04  4.0350000000e-03 -2.9496000000e-03  2.2668000000e-03 -1.8416000000e-03  2.6029000000e-03  2.3009000000e-03 -3.1667000000e-03 -5.8200000000e-05  7.3570000000e-04  5.0050000000e-03 -2.5272000000e-03 -2.2996000000e-03 -1.6025000000e-03
-
-JOB 225
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1542900000e-01 -4.6609000000e-02 -9.4907100000e-01 -8.3098500000e-01  3.4543400000e-01  3.2614600000e-01  2.3073720000e+00  1.4706890000e+00  9.9052500000e-01  2.2833130000e+00  2.3511520000e+00  6.1577400000e-01  1.5808760000e+00  1.0108660000e+00  5.6981300000e-01
-ENERGY -1.526611990315e+02
-FORCES -4.5070000000e-03  5.3400000000e-05 -1.3436000000e-03  5.2400000000e-04  1.3189000000e-03  5.0197000000e-03  4.1351000000e-03 -1.4209000000e-03 -2.6831000000e-03 -8.1457000000e-03 -3.3541000000e-03 -4.5582000000e-03 -6.7100000000e-04 -2.9371000000e-03  7.6630000000e-04  8.6646000000e-03  6.3397000000e-03  2.7989000000e-03
-
-JOB 226
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8949000000e-02 -2.6467000000e-02 -9.5269100000e-01  7.8037300000e-01 -5.2329100000e-01  1.8280100000e-01 -2.1331600000e-01  2.6028900000e+00  9.4530800000e-01  7.7713000000e-02  1.7612470000e+00  5.9435200000e-01  4.9396700000e-01  3.2105450000e+00  7.2911900000e-01
-ENERGY -1.526603136321e+02
-FORCES  2.5030000000e-04 -1.3128000000e-03 -2.1289000000e-03  1.7198000000e-03  4.7810000000e-04  5.2667000000e-03 -3.6460000000e-03  3.8502000000e-03 -1.5717000000e-03  2.2557000000e-03 -1.0619000000e-02 -4.0064000000e-03  1.0418000000e-03  1.1100600000e-02  2.6441000000e-03 -1.6217000000e-03 -3.4972000000e-03 -2.0370000000e-04
-
-JOB 227
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7879000000e-01 -5.4575900000e-01  1.0892800000e-01  7.0123500000e-01 -4.9524200000e-01  4.2336400000e-01 -2.1371260000e+00 -1.3563340000e+00  6.5905200000e-01 -2.2902320000e+00 -1.4647070000e+00  1.5976920000e+00 -2.7974630000e+00 -7.2212200000e-01  3.7983300000e-01
-ENERGY -1.526575225508e+02
-FORCES -1.4682000000e-02 -1.3652300000e-02  6.4039000000e-03  3.6189000000e-03  7.0088000000e-03 -4.8458000000e-03 -2.3340000000e-03  9.6090000000e-04 -1.7650000000e-04  7.7509000000e-03  7.9259000000e-03  2.0060000000e-03 -2.9340000000e-04  5.1170000000e-04 -4.9970000000e-03  5.9396000000e-03 -2.7549000000e-03  1.6094000000e-03
-
-JOB 228
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5433000000e-02 -1.7473000000e-01 -9.3884000000e-01  8.3870600000e-01  4.0070600000e-01  2.2855800000e-01  6.5318000000e-02 -2.6050980000e+00  9.2824200000e-01  8.6107800000e-01 -2.9448620000e+00  5.1890300000e-01  3.5277000000e-02 -1.6847060000e+00  6.6707500000e-01
-ENERGY -1.526595795255e+02
-FORCES  2.5003000000e-03 -4.4940000000e-04 -2.0923000000e-03  9.8320000000e-04 -5.5360000000e-04  6.1298000000e-03 -4.1350000000e-03 -4.0270000000e-03 -1.6957000000e-03  8.4910000000e-04  1.3527300000e-02 -4.9003000000e-03 -2.2035000000e-03  2.2985000000e-03  4.4280000000e-04  2.0059000000e-03 -1.0795900000e-02  2.1157000000e-03
-
-JOB 229
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6592200000e-01 -3.7907100000e-01 -5.7365900000e-01 -1.3219400000e-01  8.8563600000e-01 -3.3823900000e-01  1.7748600000e+00  3.8423670000e+00  3.5567700000e-01  1.0501560000e+00  3.3631770000e+00 -4.6086000000e-02  1.6549790000e+00  4.7465370000e+00  6.5268000000e-02
-ENERGY -1.526525134152e+02
-FORCES  2.6766000000e-03  1.2572000000e-03 -3.5789000000e-03 -3.1810000000e-03  1.6333000000e-03  2.3125000000e-03  8.2560000000e-04 -2.2182000000e-03  1.4667000000e-03 -3.4142000000e-03  2.4138000000e-03 -2.2412000000e-03  2.5248000000e-03  9.1330000000e-04  8.1610000000e-04  5.6810000000e-04 -3.9993000000e-03  1.2249000000e-03
-
-JOB 230
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0830700000e-01 -8.3477000000e-02  9.4738200000e-01  3.1154000000e-01  8.9599900000e-01 -1.2790800000e-01 -5.0212000000e-02  2.5874300000e+00 -6.2442500000e-01 -8.5852100000e-01  3.0685680000e+00 -4.4729800000e-01  6.4501800000e-01  3.2348740000e+00 -5.0736100000e-01
-ENERGY -1.526578364483e+02
-FORCES -3.8810000000e-04  1.5196400000e-02 -1.5185000000e-03 -1.6200000000e-05  1.4185000000e-03 -2.8010000000e-03  3.6895000000e-03 -7.6130000000e-03  2.4075000000e-03 -4.7951000000e-03 -4.2038000000e-03  2.0772000000e-03  5.1122000000e-03 -2.2620000000e-04 -8.0140000000e-04 -3.6023000000e-03 -4.5720000000e-03  6.3620000000e-04
-
-JOB 231
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7780000000e-02 -9.0725900000e-01  3.0462500000e-01  8.7619200000e-01  3.3458100000e-01  1.9124400000e-01 -2.5124870000e+00  1.1214760000e+00  8.4970400000e-01 -1.6795240000e+00  6.5399900000e-01  7.8749800000e-01 -2.3573550000e+00  1.9497130000e+00  3.9562400000e-01
-ENERGY -1.526602299366e+02
-FORCES  3.3970000000e-03 -1.3696000000e-03  8.0140000000e-04 -8.5170000000e-04  5.7872000000e-03 -3.4850000000e-04 -4.3018000000e-03 -2.0907000000e-03 -1.1241000000e-03  1.0975800000e-02 -1.1528000000e-03 -5.7247000000e-03 -8.1037000000e-03  3.4320000000e-04  4.5815000000e-03 -1.1155000000e-03 -1.5173000000e-03  1.8144000000e-03
-
-JOB 232
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1094500000e-01 -5.2930900000e-01  5.1265100000e-01  7.4231000000e-02  8.7917300000e-01  3.7118400000e-01  5.0509000000e-02  2.5865410000e+00  9.4061700000e-01  1.6925600000e-01  2.3418290000e+00  1.8583570000e+00 -7.9269700000e-01  3.0391040000e+00  9.2008900000e-01
-ENERGY -1.526591341218e+02
-FORCES  1.9489000000e-03  1.2958000000e-02  3.7441000000e-03 -1.9245000000e-03  3.4455000000e-03 -9.4500000000e-05  3.7800000000e-04 -1.1385600000e-02  1.0222000000e-03 -4.4448000000e-03 -7.8550000000e-04  8.4410000000e-04 -7.2450000000e-04 -2.0078000000e-03 -6.6751000000e-03  4.7670000000e-03 -2.2247000000e-03  1.1593000000e-03
-
-JOB 233
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9299000000e-02  1.3851700000e-01 -9.4630900000e-01  8.7167300000e-01 -3.2025300000e-01  2.3207100000e-01  1.8880670000e+00 -3.2528170000e+00 -2.3219440000e+00  1.0481330000e+00 -3.5724840000e+00 -2.6514210000e+00  1.9634810000e+00 -2.3669120000e+00 -2.6765090000e+00
-ENERGY -1.526539582752e+02
-FORCES  3.9647000000e-03 -1.2188000000e-03 -2.3221000000e-03 -1.0270000000e-04 -6.9430000000e-04  3.3756000000e-03 -3.7313000000e-03  2.0653000000e-03 -1.1454000000e-03 -3.3763000000e-03  1.3248000000e-03 -3.2261000000e-03  3.7350000000e-03  1.5241000000e-03  1.1802000000e-03 -4.8940000000e-04 -3.0012000000e-03  2.1378000000e-03
-
-JOB 234
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8437100000e-01 -3.1751200000e-01 -1.8249900000e-01 -8.1813000000e-02  9.5368900000e-01 -4.0490000000e-03  2.1950200000e-01 -2.0207400000e-01  2.8640030000e+00  3.4023900000e-01 -3.6123300000e-01  1.9278820000e+00  1.0245840000e+00 -5.2560100000e-01  3.2682360000e+00
-ENERGY -1.526619894461e+02
-FORCES -4.8000000000e-03  4.0326000000e-03 -8.1650000000e-04  4.5192000000e-03  1.8122000000e-03  1.3105000000e-03  2.3920000000e-04 -5.1742000000e-03 -1.4660000000e-04  2.0209000000e-03 -1.3325000000e-03 -8.9351000000e-03  3.2960000000e-04 -3.9860000000e-04  1.1162500000e-02 -2.3089000000e-03  1.0605000000e-03 -2.5748000000e-03
-
-JOB 235
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5465100000e-01 -4.9916100000e-01 -3.1236600000e-01  7.3863600000e-01 -3.4079500000e-01 -5.0448700000e-01 -2.3799200000e-01  3.6002300000e-01  2.8227890000e+00 -6.9775000000e-02  2.4766400000e-01  1.8872090000e+00 -3.6106900000e-01  1.3028620000e+00  2.9329620000e+00
-ENERGY -1.526621829894e+02
-FORCES -1.1700000000e-04 -3.2138000000e-03 -1.5662000000e-03  4.4717000000e-03  2.2720000000e-03  1.0824000000e-03 -4.3557000000e-03  1.2144000000e-03  1.6699000000e-03  1.4664000000e-03  1.5326000000e-03 -1.0801700000e-02 -1.7726000000e-03  9.3440000000e-04  1.0231500000e-02  3.0730000000e-04 -2.7396000000e-03 -6.1580000000e-04
-
-JOB 236
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2280300000e-01 -5.8600900000e-01  2.2445700000e-01 -3.7450000000e-02  7.2906000000e-02 -9.5368400000e-01 -2.3102000000e-02 -3.3313200000e-01 -2.7107240000e+00 -7.9601300000e-01 -8.1797700000e-01 -3.0001480000e+00 -1.2658700000e-01  5.3639600000e-01 -3.0973030000e+00
-ENERGY -1.526582078164e+02
-FORCES -1.4423000000e-03 -4.7642000000e-03 -1.5535700000e-02  1.6093000000e-03  1.4490000000e-03 -1.0879000000e-03 -9.5000000000e-04  5.4200000000e-03  8.4273000000e-03 -2.8358000000e-03 -5.7570000000e-04  1.1138000000e-03  3.7479000000e-03  3.2258000000e-03  2.1504000000e-03 -1.2910000000e-04 -4.7548000000e-03  4.9322000000e-03
-
-JOB 237
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5607700000e-01 -3.9180100000e-01 -1.7279000000e-01 -7.9545000000e-02  8.9978100000e-01 -3.1670000000e-01 -2.1760130000e+00 -1.5433630000e+00 -8.5715100000e-01 -2.2134740000e+00 -1.6600810000e+00 -1.8064700000e+00 -3.0911920000e+00 -1.4601060000e+00 -5.8929400000e-01
-ENERGY -1.526607442863e+02
-FORCES -9.7194000000e-03 -4.4443000000e-03 -3.8309000000e-03  7.2728000000e-03  6.7058000000e-03  3.6073000000e-03 -6.4200000000e-04 -3.1243000000e-03  3.5720000000e-04 -3.4430000000e-04 -2.2640000000e-04 -2.9760000000e-03 -1.3309000000e-03  8.2460000000e-04  4.8590000000e-03  4.7637000000e-03  2.6450000000e-04 -2.0165000000e-03
-
-JOB 238
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2068300000e-01  9.3193000000e-01  1.8213800000e-01  1.1015000000e-02 -6.1240000000e-02 -9.5517500000e-01 -2.3333700000e+00 -1.1751250000e+00  5.3759400000e-01 -2.2964730000e+00 -1.0496790000e+00  1.4858210000e+00 -1.5015270000e+00 -8.2669100000e-01  2.1687200000e-01
-ENERGY -1.526578423864e+02
-FORCES -7.0324000000e-03  1.3297000000e-03  9.7980000000e-04  1.9960000000e-04 -4.8788000000e-03 -1.6175000000e-03 -3.1485000000e-03 -3.3450000000e-04  6.5352000000e-03  1.7137800000e-02  8.6185000000e-03  6.9060000000e-04 -7.2970000000e-04  1.1460000000e-04 -2.0391000000e-03 -6.4268000000e-03 -4.8495000000e-03 -4.5489000000e-03
-
-JOB 239
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7927000000e-01  3.5196800000e-01  1.3869100000e-01 -1.8484000000e-02 -2.4158900000e-01 -9.2602600000e-01  1.2617200000e-01 -4.4279600000e-01 -2.7233840000e+00  8.9799800000e-01 -2.0434900000e-01 -3.2368620000e+00 -5.8662200000e-01  6.4337000000e-02 -3.1119370000e+00
-ENERGY -1.526601497029e+02
-FORCES  4.0480000000e-03 -2.1069000000e-03 -1.4046300000e-02 -2.0870000000e-03 -7.9220000000e-04 -5.4450000000e-04 -3.1854000000e-03  2.0663000000e-03  8.9182000000e-03  1.1501000000e-03  3.7155000000e-03  1.1642000000e-03 -4.3413000000e-03 -4.9060000000e-04  2.0080000000e-03  4.4156000000e-03 -2.3921000000e-03  2.5003000000e-03
-
-JOB 240
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7407400000e-01 -4.4920500000e-01 -3.3949400000e-01  7.2501000000e-01 -5.9613300000e-01 -1.8766400000e-01  2.0203070000e+00 -1.4249770000e+00 -3.6562500000e-01  2.2634910000e+00 -2.3437240000e+00 -2.5161400000e-01  2.8418560000e+00 -9.4469900000e-01 -2.6256300000e-01
-ENERGY -1.526549313856e+02
-FORCES  1.9110000000e-02 -1.5602200000e-02 -4.2078000000e-03  3.3627000000e-03 -9.8450000000e-04  7.2810000000e-04 -2.5294000000e-03  4.7125000000e-03 -2.2930000000e-04 -1.7027200000e-02  1.1152000000e-02  4.8784000000e-03  8.9240000000e-04  5.1818000000e-03 -9.1360000000e-04 -3.8086000000e-03 -4.4596000000e-03 -2.5590000000e-04
-
-JOB 241
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3353900000e-01  2.9778700000e-01  3.6437100000e-01  1.4155800000e-01 -8.5982800000e-01  3.9609100000e-01 -2.9534800000e-01  5.9715600000e-01 -2.8001010000e+00 -2.8676200000e-01  3.5588800000e-01 -1.8738460000e+00 -1.7064500000e-01 -2.3033000000e-01 -3.2648020000e+00
-ENERGY -1.526605962828e+02
-FORCES -1.1539000000e-03 -2.3588000000e-03  3.1319000000e-03  4.2914000000e-03 -2.2150000000e-03 -3.5608000000e-03 -1.3485000000e-03  4.3501000000e-03 -1.5826000000e-03  2.8121000000e-03 -5.1757000000e-03  9.4347000000e-03 -4.2376000000e-03  3.2476000000e-03 -9.1210000000e-03 -3.6350000000e-04  2.1518000000e-03  1.6979000000e-03
-
-JOB 242
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9236600000e-01 -3.8762700000e-01  3.7166200000e-01 -1.2374200000e-01  8.1158700000e-01  4.9218500000e-01 -9.1253000000e-02  2.4651710000e+00  1.2719510000e+00 -8.5436000000e-01  2.7262920000e+00  7.5647400000e-01  6.3458200000e-01  2.9624420000e+00  8.9496700000e-01
-ENERGY -1.526597855877e+02
-FORCES  2.3035000000e-03  1.1043800000e-02  9.8068000000e-03 -1.7420000000e-03  1.5079000000e-03 -1.3592000000e-03 -3.2112000000e-03 -6.7230000000e-03 -7.4131000000e-03  1.3545000000e-03  1.7898000000e-03 -4.6996000000e-03  5.3196000000e-03 -4.6753000000e-03  1.7980000000e-03 -4.0245000000e-03 -2.9433000000e-03  1.8673000000e-03
-
-JOB 243
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7264100000e-01  3.5487300000e-01 -1.6968900000e-01 -1.8221000000e-02 -8.7619300000e-01 -3.8494800000e-01 -3.2598300000e-01 -2.5119580000e+00 -1.1573850000e+00 -3.8888100000e-01 -2.6009320000e+00 -2.1083630000e+00 -1.0935330000e+00 -2.9750330000e+00 -8.2173600000e-01
-ENERGY -1.526606865034e+02
-FORCES -3.5470000000e-03 -1.1433700000e-02 -6.4953000000e-03  2.0602000000e-03 -1.2728000000e-03  4.2820000000e-04  1.1875000000e-03  8.7052000000e-03  4.5624000000e-03 -2.2146000000e-03  1.1192000000e-03 -8.3220000000e-04 -8.8900000000e-04  8.5000000000e-06  5.0732000000e-03  3.4029000000e-03  2.8737000000e-03 -2.7362000000e-03
-
-JOB 244
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7627900000e-01  4.1345300000e-01 -3.7772800000e-01 -1.1581700000e-01 -9.3374600000e-01 -1.7589000000e-01 -2.1431780000e+00  1.0629840000e+00 -7.9811200000e-01 -2.9927900000e+00  8.5913100000e-01 -4.0717000000e-01 -1.8983970000e+00  1.9051450000e+00 -4.1460200000e-01
-ENERGY -1.526539197778e+02
-FORCES -2.3832500000e-02  7.2243000000e-03 -1.0039900000e-02  7.0279000000e-03  5.2548000000e-03  3.1422000000e-03 -1.1618000000e-03  2.2377000000e-03  4.5450000000e-04  1.2711400000e-02 -8.9500000000e-03  9.8086000000e-03  4.1859000000e-03  2.4276000000e-03 -2.1811000000e-03  1.0691000000e-03 -8.1945000000e-03 -1.1842000000e-03
-
-JOB 245
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8617700000e-01 -2.7421300000e-01 -8.9798500000e-01  8.1952400000e-01  3.8744100000e-01  3.0741200000e-01  3.9158300000e-01 -2.5834160000e+00  7.5802100000e-01  1.3048510000e+00 -2.8512510000e+00  6.5586100000e-01  3.8363900000e-01 -1.6586460000e+00  5.1110100000e-01
-ENERGY -1.526567234309e+02
-FORCES  1.8390000000e-03 -4.7820000000e-04 -1.9914000000e-03  7.2770000000e-04 -1.6634000000e-03  7.8779000000e-03 -3.9290000000e-03 -6.1409000000e-03 -1.4148000000e-03 -2.0102000000e-03  1.4251500000e-02 -2.5260000000e-03 -2.8607000000e-03  3.6255000000e-03 -7.0250000000e-04  6.2332000000e-03 -9.5944000000e-03 -1.2432000000e-03
-
-JOB 246
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7034600000e-01  5.2714500000e-01  2.1193700000e-01  7.1759700000e-01  4.2347900000e-01  4.7111700000e-01 -6.0323600000e-01 -2.4594320000e+00  6.5233600000e-01 -1.4922110000e+00 -2.7946540000e+00  5.3580200000e-01 -6.1673700000e-01 -1.5953090000e+00  2.4082500000e-01
-ENERGY -1.526568623289e+02
-FORCES  1.5009000000e-03 -7.3797000000e-03  7.4451000000e-03  3.0917000000e-03 -5.4095000000e-03 -7.2220000000e-04 -4.4016000000e-03  3.7060000000e-04 -2.8056000000e-03  4.8967000000e-03  1.4701700000e-02 -4.8995000000e-03  2.3904000000e-03  4.5677000000e-03 -4.1470000000e-04 -7.4780000000e-03 -6.8509000000e-03  1.3969000000e-03
-
-JOB 247
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2663000000e-01 -7.8838200000e-01 -5.2787400000e-01  7.4865800000e-01  4.4042700000e-01 -4.0220200000e-01  1.5784900000e-01 -6.3524000000e-02  2.5381980000e+00  2.0573800000e-01  2.4062000000e-02  1.5862170000e+00  1.0650540000e+00  1.7401000000e-02  2.8325830000e+00
-ENERGY -1.526556027644e+02
-FORCES  1.1442000000e-03 -4.0638000000e-03  1.3651800000e-02  1.8570000000e-03  5.3247000000e-03  1.1461000000e-03 -3.2105000000e-03 -3.7031000000e-03  4.3242000000e-03 -1.4383000000e-03 -2.9500000000e-04 -2.2780100000e-02  3.6041000000e-03  2.5069000000e-03  7.6280000000e-03 -1.9565000000e-03  2.3040000000e-04 -3.9701000000e-03
-
-JOB 248
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5572900000e-01 -3.9088300000e-01 -4.3853900000e-01  7.4442700000e-01 -2.2587500000e-01 -5.5771100000e-01 -2.5035480000e+00 -1.2358780000e+00 -8.0491300000e-01 -3.2934600000e+00 -7.7128000000e-01 -5.2847100000e-01 -2.5344420000e+00 -1.2137460000e+00 -1.7613580000e+00
-ENERGY -1.526603947796e+02
-FORCES -6.8268000000e-03 -5.5907000000e-03 -3.2465000000e-03  9.9168000000e-03  5.2742000000e-03 -7.1600000000e-05 -3.4442000000e-03  2.6590000000e-04  8.5780000000e-04 -5.3157000000e-03  1.7215000000e-03 -4.6320000000e-04  3.5784000000e-03 -2.6822000000e-03 -2.4145000000e-03  2.0914000000e-03  1.0112000000e-03  5.3379000000e-03
-
-JOB 249
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0727600000e-01  1.2239100000e-01  9.4326300000e-01 -7.5863100000e-01  5.3774400000e-01 -2.2702900000e-01  1.8774950000e+00  1.6658900000e+00 -7.3530700000e-01  1.0200920000e+00  1.2556800000e+00 -6.2208700000e-01  2.4669740000e+00  1.1440580000e+00 -1.9084600000e-01
-ENERGY -1.526531500430e+02
-FORCES  5.9093000000e-03  6.7587000000e-03  1.4174000000e-03  8.5860000000e-04  3.3600000000e-04 -6.0910000000e-03  9.1657000000e-03  3.1770000000e-04 -1.8510000000e-04 -1.2915400000e-02 -1.8368500000e-02  6.4712000000e-03 -2.4885000000e-03  8.6741000000e-03 -1.5331000000e-03 -5.2980000000e-04  2.2821000000e-03 -7.9400000000e-05
-
-JOB 250
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7000500000e-01 -3.5560500000e-01  1.8129600000e-01  4.5399000000e-02  9.0868800000e-01  2.9741700000e-01  3.0595200000e-01  2.5673860000e+00  8.1500400000e-01  3.1664200000e-01  2.7343890000e+00  1.7574620000e+00 -4.9547300000e-01  2.9895110000e+00  5.0555300000e-01
-ENERGY -1.526600591097e+02
-FORCES  5.4540000000e-03  1.5015500000e-02  5.3503000000e-03 -2.2482000000e-03  1.0192000000e-03  2.1630000000e-04 -4.4148000000e-03 -8.2438000000e-03 -3.8140000000e-03 -2.5486000000e-03 -2.7609000000e-03  1.2011000000e-03 -4.2530000000e-04 -7.0630000000e-04 -5.2660000000e-03  4.1829000000e-03 -4.3236000000e-03  2.3123000000e-03
-
-JOB 251
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0251600000e-01 -5.0010000000e-01  4.1545400000e-01  7.8411900000e-01 -2.2683400000e-01  4.9993600000e-01 -7.1532600000e-01  2.5730180000e+00  1.0596950000e+00 -5.6294100000e-01  2.4985760000e+00  2.0017510000e+00 -5.2329400000e-01  1.7005940000e+00  7.1584700000e-01
-ENERGY -1.526596833518e+02
-FORCES  1.6705000000e-03 -4.3328000000e-03  1.7075000000e-03  4.0416000000e-03  5.2171000000e-03 -7.1240000000e-04 -5.2346000000e-03  2.0899000000e-03 -1.4460000000e-03  3.7241000000e-03 -1.0080900000e-02 -3.0946000000e-03 -1.1510000000e-04 -1.1193000000e-03 -3.2260000000e-03 -4.0867000000e-03  8.2261000000e-03  6.7715000000e-03
-
-JOB 252
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6525600000e-01  6.1375200000e-01  3.1140700000e-01  7.9477800000e-01  5.2749400000e-01 -7.9432000000e-02 -6.2699000000e-02 -2.5700030000e+00  6.3544400000e-01 -8.1415500000e-01 -2.9477610000e+00  1.7844900000e-01 -5.8489000000e-02 -1.6501230000e+00  3.7080300000e-01
-ENERGY -1.526597460662e+02
-FORCES  8.8750000000e-04 -6.7503000000e-03  3.9650000000e-03  4.0772000000e-03 -2.1417000000e-03 -2.1573000000e-03 -5.1149000000e-03 -1.0241000000e-03  7.8140000000e-04 -3.8410000000e-04  1.5876500000e-02 -5.3793000000e-03  1.4364000000e-03  2.5371000000e-03  1.1610000000e-03 -9.0210000000e-04 -8.4975000000e-03  1.6291000000e-03
-
-JOB 253
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3875000000e-01 -2.1317200000e-01 -9.2278800000e-01 -2.0645600000e-01 -8.3909700000e-01  4.1173300000e-01 -2.5252900000e-01 -2.4378140000e+00  1.1463410000e+00 -1.8780000000e-03 -2.1350250000e+00  2.0191100000e+00  5.6969100000e-01 -2.7179000000e+00  7.4417400000e-01
-ENERGY -1.526584767162e+02
-FORCES -4.4230000000e-03 -1.6044700000e-02  4.2645000000e-03  4.0760000000e-04 -8.2140000000e-04  3.1582000000e-03  5.1988000000e-03  9.2897000000e-03 -2.0097000000e-03  5.3598000000e-03  3.2469000000e-03  4.9710000000e-04 -1.4236000000e-03  3.1120000000e-04 -6.7623000000e-03 -5.1196000000e-03  4.0183000000e-03  8.5220000000e-04
-
-JOB 254
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2913900000e-01  2.2548200000e-01 -4.5722000000e-02 -4.3636500000e-01  6.7356300000e-01 -5.2166200000e-01  4.2842600000e-01  1.6017000000e-01  2.6863570000e+00  6.2070000000e-01 -7.3561100000e-01  2.9635550000e+00  1.3587100000e-01  7.3076000000e-02  1.7791310000e+00
-ENERGY -1.526603329627e+02
-FORCES  1.7062000000e-03  3.9498000000e-03  1.4138000000e-03 -6.3503000000e-03 -1.2046000000e-03  2.7524000000e-03  3.3599000000e-03 -3.1469000000e-03  2.3665000000e-03 -5.2956000000e-03 -3.4263000000e-03 -1.2714500000e-02 -1.1170000000e-04  2.5753000000e-03 -2.1296000000e-03  6.6915000000e-03  1.2528000000e-03  8.3114000000e-03
-
-JOB 255
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3496300000e-01 -9.3005000000e-01 -1.8172600000e-01  7.9071500000e-01  4.2632100000e-01 -3.3053400000e-01 -2.0028990000e+00  1.3976230000e+00 -9.8516900000e-01 -2.7860520000e+00  9.1805500000e-01 -7.1513400000e-01 -1.2810380000e+00  9.4116100000e-01 -5.5297600000e-01
-ENERGY -1.526586350250e+02
-FORCES -6.2522000000e-03  2.4073000000e-03 -6.9049000000e-03  7.3870000000e-04  4.7854000000e-03  1.1699000000e-03 -5.2277000000e-03 -2.6566000000e-03  1.1432000000e-03  1.2310100000e-02 -1.1961300000e-02  8.5933000000e-03  2.5805000000e-03  1.5720000000e-04 -6.2610000000e-04 -4.1494000000e-03  7.2681000000e-03 -3.3754000000e-03
-
-JOB 256
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3991500000e-01  1.0099600000e-01 -9.4151800000e-01  7.3070300000e-01  4.6903100000e-01  4.0288400000e-01 -1.5190200000e-01 -3.4119700000e-01 -2.7355250000e+00 -1.8287600000e-01 -1.2200270000e+00 -3.1135860000e+00  6.0660900000e-01  7.1239000000e-02 -3.1487910000e+00
-ENERGY -1.526586028417e+02
-FORCES -3.7090000000e-04 -1.0222000000e-03 -1.0953100000e-02  3.9984000000e-03  4.3705000000e-03  9.0235000000e-03 -1.7793000000e-03 -1.4473000000e-03 -3.7072000000e-03  5.8740000000e-04 -5.0202000000e-03  5.0400000000e-04  7.3020000000e-04  5.0099000000e-03 -1.9800000000e-05 -3.1658000000e-03 -1.8908000000e-03  5.1527000000e-03
-
-JOB 257
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5169300000e-01 -3.8871000000e-01  4.4731800000e-01  2.0581800000e-01 -8.2569000000e-02 -9.3115700000e-01  1.0477500000e-01  4.6430000000e-02 -2.8690220000e+00 -5.0579700000e-01 -6.3965100000e-01 -3.1387000000e+00  9.6241100000e-01 -2.7075900000e-01 -3.1520110000e+00
-ENERGY -1.526600874772e+02
-FORCES  2.1049000000e-03  3.7200000000e-04 -9.7217000000e-03 -1.9170000000e-03  1.0182000000e-03 -3.1521000000e-03  1.2468000000e-03 -2.8432000000e-03  1.1241800000e-02 -1.1230000000e-03 -2.7388000000e-03 -4.2169000000e-03  4.1995000000e-03  3.2710000000e-03  1.9681000000e-03 -4.5113000000e-03  9.2090000000e-04  3.8807000000e-03
-
-JOB 258
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1615900000e-01  5.6453700000e-01 -2.9094100000e-01  7.7555200000e-01  3.5165200000e-01 -4.3714000000e-01  2.1658170000e+00  1.3949320000e+00 -1.0381650000e+00  2.2593190000e+00  1.2456410000e+00 -1.9790160000e+00  2.8975520000e+00  9.1871300000e-01 -6.4572300000e-01
-ENERGY -1.526600354064e+02
-FORCES  8.9062000000e-03  1.0439800000e-02 -5.9461000000e-03  1.8259000000e-03 -1.8126000000e-03  2.4500000000e-04 -5.6170000000e-03 -8.1804000000e-03  3.1051000000e-03  2.2107000000e-03 -1.5079000000e-03 -4.4130000000e-04 -1.5607000000e-03 -2.1360000000e-04  5.6986000000e-03 -5.7651000000e-03  1.2747000000e-03 -2.6614000000e-03
-
-JOB 259
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2868100000e-01 -5.3543500000e-01 -3.1395200000e-01  1.2938100000e-01  8.5081500000e-01 -4.1905400000e-01 -2.1555220000e+00 -1.5009400000e+00 -7.6085300000e-01 -2.3082220000e+00 -1.3268780000e+00 -1.6896250000e+00 -1.5820780000e+00 -7.9000200000e-01 -4.7456300000e-01
-ENERGY -1.526596296811e+02
-FORCES  1.4172000000e-03 -3.8304000000e-03 -3.2782000000e-03 -3.2358000000e-03  4.2825000000e-03  1.0352000000e-03 -1.6860000000e-03 -5.3816000000e-03  7.8670000000e-04  1.0460600000e-02  9.1315000000e-03  2.5280000000e-03  1.6450000000e-03  2.4320000000e-04  2.8042000000e-03 -8.6009000000e-03 -4.4453000000e-03 -3.8759000000e-03
-
-JOB 260
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1940200000e-01  1.7135400000e-01 -9.3413800000e-01  8.2427200000e-01  2.7472500000e-01  4.0166500000e-01  8.7477000000e-02  2.2825100000e-01 -2.7010810000e+00 -7.4309000000e-02 -6.9811000000e-01 -2.8797250000e+00 -7.4388700000e-01  6.5953500000e-01 -2.8987160000e+00
-ENERGY -1.526610489964e+02
-FORCES  3.2199000000e-03  3.0359000000e-03 -1.4904400000e-02 -2.2623000000e-03 -2.4084000000e-03  1.0848100000e-02 -1.9947000000e-03 -6.4120000000e-04 -2.5624000000e-03 -3.9725000000e-03 -2.5892000000e-03  2.1215000000e-03  4.6930000000e-04  5.6803000000e-03  2.2506000000e-03  4.5403000000e-03 -3.0774000000e-03  2.2466000000e-03
-
-JOB 261
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1872000000e-02  4.4813000000e-02  9.5561900000e-01  7.2634800000e-01  5.5161000000e-01 -2.9047700000e-01  1.6911900000e-01 -2.4460940000e+00 -1.6119630000e+00  6.9215400000e-01 -3.1598990000e+00 -1.2470670000e+00  4.7648100000e-01 -1.6643990000e+00 -1.1529280000e+00
-ENERGY -1.526581669497e+02
-FORCES -2.1960000000e-04  3.1028000000e-03  4.5548000000e-03  3.9280000000e-04  3.3010000000e-04 -4.7406000000e-03 -2.8843000000e-03 -5.5985000000e-03  7.0750000000e-04  6.8210000000e-04  5.3970000000e-03  6.6825000000e-03 -1.7201000000e-03  2.9465000000e-03 -5.7920000000e-04  3.7491000000e-03 -6.1779000000e-03 -6.6251000000e-03
-
-JOB 262
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6993200000e-01  5.5515400000e-01 -3.9903300000e-01 -1.2767500000e-01 -8.5829100000e-01 -4.0406300000e-01  2.2834510000e+00  1.0151520000e+00 -1.2285070000e+00  1.5994630000e+00  4.8720500000e-01 -8.1660400000e-01  1.9990690000e+00  1.9198840000e+00 -1.0988140000e+00
-ENERGY -1.526590936892e+02
-FORCES -2.2596000000e-03  9.3960000000e-04 -3.8427000000e-03  4.3869000000e-03 -2.6393000000e-03  1.7312000000e-03  2.5854000000e-03  5.8116000000e-03  1.0518000000e-03 -1.2340800000e-02 -2.4218000000e-03  8.8841000000e-03  7.2428000000e-03  4.0070000000e-04 -6.6969000000e-03  3.8520000000e-04 -2.0908000000e-03 -1.1274000000e-03
-
-JOB 263
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8164000000e-02 -7.8334000000e-02  9.5155100000e-01  2.9833000000e-02 -9.0239800000e-01 -3.1783700000e-01 -2.5059590000e+00  1.1525850000e+00 -1.3571940000e+00 -1.6910780000e+00  7.9937300000e-01 -1.0002040000e+00 -2.5493990000e+00  2.0463250000e+00 -1.0172320000e+00
-ENERGY -1.526612963146e+02
-FORCES  1.7244000000e-03 -4.5865000000e-03  4.2512000000e-03  2.1020000000e-04 -1.0490000000e-04 -4.5104000000e-03 -8.7480000000e-04  4.8148000000e-03  1.6840000000e-03  7.3389000000e-03  5.4380000000e-04  4.8679000000e-03 -8.1751000000e-03  2.0558000000e-03 -5.4357000000e-03 -2.2360000000e-04 -2.7230000000e-03 -8.5690000000e-04
-
-JOB 264
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4484000000e-02  1.9132900000e-01 -9.3492100000e-01  7.4717400000e-01  4.4773400000e-01  3.9686000000e-01  2.3184170000e+00  9.9440000000e-01  8.4011100000e-01  2.1420890000e+00  6.6138200000e-01  1.7200200000e+00  3.1663710000e+00  6.1696900000e-01  6.0612200000e-01
-ENERGY -1.526567000147e+02
-FORCES  1.6875000000e-02  8.4068000000e-03  6.6910000000e-04 -2.1260000000e-04 -1.0278000000e-03  1.9563000000e-03 -6.9294000000e-03 -2.9505000000e-03  6.0838000000e-03 -3.6097000000e-03 -7.5551000000e-03 -3.3330000000e-03 -2.5093000000e-03  7.0370000000e-04 -7.7812000000e-03 -3.6139000000e-03  2.4228000000e-03  2.4051000000e-03
-
-JOB 265
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3006200000e-01  8.8645000000e-02 -9.4417000000e-01  7.7018400000e-01  4.1500300000e-01  3.8835700000e-01  2.2300980000e+00  1.6038820000e+00  5.3391100000e-01  2.4729260000e+00  1.6047990000e+00  1.4597970000e+00  2.9252020000e+00  1.1056490000e+00  1.0399900000e-01
-ENERGY -1.526590513184e+02
-FORCES  1.0806400000e-02  1.0165600000e-02 -2.7490000000e-04 -1.1550000000e-04 -1.1968000000e-03  2.2460000000e-03 -5.5940000000e-03 -7.9777000000e-03  5.1920000000e-04  2.5858000000e-03 -8.9070000000e-04  6.4510000000e-04 -2.2972000000e-03 -1.6669000000e-03 -5.4048000000e-03 -5.3855000000e-03  1.5665000000e-03  2.2694000000e-03
-
-JOB 266
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5875600000e-01 -4.0182600000e-01 -4.2315100000e-01  1.0377300000e-01  9.3774600000e-01 -1.6154100000e-01 -2.5111000000e-02  2.6949520000e+00 -6.2339900000e-01 -8.2258600000e-01  3.1706160000e+00 -3.9100200000e-01  6.8122200000e-01  3.3236540000e+00 -4.7488000000e-01
-ENERGY -1.526611111582e+02
-FORCES  1.6136000000e-03  1.1877700000e-02 -4.4826000000e-03 -1.6294000000e-03  2.1860000000e-03  1.1955000000e-03  5.3600000000e-04 -9.8339000000e-03  2.7342000000e-03 -1.5573000000e-03 -1.7870000000e-04  2.3599000000e-03  4.9513000000e-03 -1.1742000000e-03 -1.0617000000e-03 -3.9143000000e-03 -2.8769000000e-03 -7.4520000000e-04
-
-JOB 267
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9156000000e-02 -1.9193700000e-01 -9.3520600000e-01 -7.8423800000e-01 -3.9202500000e-01  3.8408100000e-01  1.3084700000e-01 -6.6671000000e-02 -2.8981440000e+00  2.1452700000e-01  8.5468100000e-01 -3.1437880000e+00  8.9646000000e-01 -4.8929100000e-01 -3.2873260000e+00
-ENERGY -1.526622678188e+02
-FORCES -1.8908000000e-03 -2.0397000000e-03 -8.8865000000e-03 -7.0250000000e-04  3.9520000000e-04  1.1110400000e-02  2.3130000000e-03  1.0836000000e-03 -2.1297000000e-03  3.9339000000e-03  2.9298000000e-03 -2.3195000000e-03  9.0000000000e-06 -4.9611000000e-03  6.4150000000e-04 -3.6626000000e-03  2.5922000000e-03  1.5838000000e-03
-
-JOB 268
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3150000000e-03 -8.8745500000e-01 -3.5867000000e-01  7.5587800000e-01  4.2532900000e-01 -4.0493900000e-01 -2.6381100000e-01  3.1533000000e-02  2.8680860000e+00 -2.4810000000e-03 -1.0159000000e-02  1.9481950000e+00  3.1442400000e-01  6.9056800000e-01  3.2522070000e+00
-ENERGY -1.526607268260e+02
-FORCES  1.3714000000e-03 -1.7649000000e-03 -3.7102000000e-03  7.4340000000e-04  4.9087000000e-03  2.0310000000e-03 -3.5075000000e-03 -2.4949000000e-03  2.8013000000e-03  2.0996000000e-03  2.1154000000e-03 -9.9724000000e-03  6.2630000000e-04 -8.9630000000e-04  1.0975600000e-02 -1.3332000000e-03 -1.8679000000e-03 -2.1254000000e-03
-
-JOB 269
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8396100000e-01  5.4236700000e-01  3.9276800000e-01  8.1578500000e-01  4.5696900000e-01  2.0471200000e-01  2.1049720000e+00  1.3341520000e+00  9.9765200000e-01  2.9141210000e+00  9.7114000000e-01  6.3746900000e-01  2.1391640000e+00  2.2643950000e+00  7.7469100000e-01
-ENERGY -1.526587770610e+02
-FORCES  1.2001000000e-02  1.0375900000e-02  9.1319000000e-03  1.6723000000e-03 -7.5690000000e-04 -1.4045000000e-03 -4.9005000000e-03 -5.3595000000e-03 -6.1619000000e-03 -2.2124000000e-03 -7.9200000000e-04 -3.0181000000e-03 -6.0305000000e-03  2.0627000000e-03  6.4920000000e-04 -5.2990000000e-04 -5.5302000000e-03  8.0340000000e-04
-
-JOB 270
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7092200000e-01  4.0196000000e-02 -9.4095800000e-01 -7.7096100000e-01  4.0100800000e-01  4.0130300000e-01 -2.1820910000e+00  9.8178800000e-01  9.0480800000e-01 -2.2645230000e+00  1.1772120000e+00  1.8382140000e+00 -2.3593060000e+00  1.8151690000e+00  4.6857100000e-01
-ENERGY -1.526562527007e+02
-FORCES -2.1776400000e-02  8.0712000000e-03  7.4387000000e-03 -7.6970000000e-04  1.3869000000e-03  2.5688000000e-03  7.4381000000e-03 -1.2202000000e-03 -2.9065000000e-03  1.2273800000e-02 -3.0659000000e-03 -3.6514000000e-03  8.7870000000e-04 -9.9700000000e-05 -5.9260000000e-03  1.9555000000e-03 -5.0723000000e-03  2.4765000000e-03
-
-JOB 271
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5998800000e-01 -1.8113700000e-01  9.2618800000e-01 -1.3061200000e-01 -8.6245600000e-01 -3.9413400000e-01  2.0839500000e-01 -2.5963130000e+00 -1.4612390000e+00 -4.5194300000e-01 -3.0185580000e+00 -9.1178900000e-01  1.0352740000e+00 -2.9976680000e+00 -1.1940030000e+00
-ENERGY -1.526583665731e+02
-FORCES  1.4107000000e-03 -7.9406000000e-03 -2.8514000000e-03 -4.7520000000e-04 -4.8060000000e-04 -3.4749000000e-03 -3.3051000000e-03  6.4015000000e-03  7.4070000000e-03  3.2842000000e-03 -5.4059000000e-03  4.8230000000e-04  3.9147000000e-03  5.7693000000e-03 -8.7460000000e-04 -4.8293000000e-03  1.6563000000e-03 -6.8840000000e-04
-
-JOB 272
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7350100000e-01 -8.9663500000e-01 -2.8666100000e-01 -8.9040400000e-01  1.8029600000e-01 -3.0150700000e-01 -2.2957800000e-01 -2.3263500000e-01  2.7553750000e+00 -3.3889100000e-01 -1.9957400000e-01  1.8050130000e+00  6.0682000000e-01  2.0422100000e-01  2.9160820000e+00
-ENERGY -1.526599304807e+02
-FORCES -8.3090000000e-04 -2.3484000000e-03 -1.0565000000e-03 -1.8469000000e-03  5.0256000000e-03  2.7474000000e-03  4.7180000000e-03 -2.1504000000e-03  4.2188000000e-03  4.7153000000e-03  3.8052000000e-03 -1.4554900000e-02 -4.7106000000e-03 -2.8001000000e-03  8.1145000000e-03 -2.0448000000e-03 -1.5319000000e-03  5.3070000000e-04
-
-JOB 273
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0277000000e-01  2.7326800000e-01  1.6297800000e-01  1.6770000000e-02 -9.2704100000e-01  2.3779100000e-01 -1.0979000000e-01 -2.5275500000e+00  7.5365300000e-01 -8.3215300000e-01 -3.0716690000e+00  4.4003200000e-01  6.7126000000e-01 -2.9140170000e+00  3.5762700000e-01
-ENERGY -1.526581077287e+02
-FORCES -4.0103000000e-03 -1.8341200000e-02  7.4134000000e-03  1.7745000000e-03 -1.3741000000e-03 -6.8100000000e-04  4.1818000000e-03  7.1620000000e-03 -4.4090000000e-03 -9.6810000000e-04  5.8176000000e-03 -5.0079000000e-03  4.3021000000e-03  2.6711000000e-03  1.5524000000e-03 -5.2799000000e-03  4.0646000000e-03  1.1321000000e-03
-
-JOB 274
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0739300000e-01  3.5243100000e-01  3.7435400000e-01  1.8365000000e-02 -9.1334300000e-01  2.8583100000e-01  2.2274620000e+00  1.7388830000e+00  8.7176600000e-01  1.6744800000e+00  1.0096680000e+00  5.9125100000e-01  1.9823650000e+00  2.4618890000e+00  2.9434000000e-01
-ENERGY -1.526611426286e+02
-FORCES -4.5329000000e-03 -1.4545000000e-03  2.7908000000e-03  3.7087000000e-03 -2.2450000000e-03 -2.1152000000e-03  1.9120000000e-04  5.0034000000e-03 -7.9970000000e-04 -8.0000000000e-03 -4.1097000000e-03 -5.8463000000e-03  7.9041000000e-03  4.2724000000e-03  3.7289000000e-03  7.2890000000e-04 -1.4667000000e-03  2.2415000000e-03
-
-JOB 275
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8436300000e-01 -3.7531800000e-01 -4.0017900000e-01 -1.3438000000e-02  9.2032500000e-01 -2.6277800000e-01  4.2236400000e-01  2.8482100000e-01  2.5183800000e+00  2.9970100000e-01  9.3316000000e-02  1.5885890000e+00  1.0995590000e+00 -3.2909100000e-01  2.8025470000e+00
-ENERGY -1.526583301530e+02
-FORCES -1.0971000000e-03  2.1391000000e-03  1.2425400000e-02  4.1440000000e-03  3.2761000000e-03  1.0268000000e-03 -8.5740000000e-04 -5.8100000000e-03  2.3281000000e-03 -3.0769000000e-03 -4.7656000000e-03 -2.0721600000e-02  2.9176000000e-03  4.3126000000e-03  7.5990000000e-03 -2.0302000000e-03  8.4780000000e-04 -2.6577000000e-03
-
-JOB 276
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3980800000e-01 -5.1542800000e-01  3.2132600000e-01  7.7153500000e-01 -5.1624700000e-01  2.3335700000e-01  5.7682000000e-02 -6.0244000000e-02  4.3511870000e+00  7.7877000000e-01 -5.9412400000e-01  4.0176680000e+00  1.4696900000e-01 -1.0410200000e-01  5.3032040000e+00
-ENERGY -1.526536784850e+02
-FORCES -4.9300000000e-04 -3.7195000000e-03  2.9115000000e-03  3.2795000000e-03  1.7026000000e-03 -1.9884000000e-03 -2.8114000000e-03  1.8920000000e-03 -7.8820000000e-04  3.5407000000e-03 -1.7250000000e-03  2.9276000000e-03 -3.1343000000e-03  1.7043000000e-03  9.6170000000e-04 -3.8140000000e-04  1.4560000000e-04 -4.0242000000e-03
-
-JOB 277
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6568300000e-01 -2.2216900000e-01  3.4273300000e-01  2.0246800000e-01  8.4953000000e-01  3.9183900000e-01 -2.4019180000e+00 -1.0416110000e+00  7.1440200000e-01 -2.6167900000e+00 -9.1451800000e-01  1.6384740000e+00 -3.1230330000e+00 -6.2667200000e-01  2.4106300000e-01
-ENERGY -1.526596035077e+02
-FORCES -1.2672700000e-02 -4.8899000000e-03  4.4143000000e-03  9.2090000000e-03  6.6658000000e-03 -1.7199000000e-03 -2.6497000000e-03 -2.9905000000e-03 -1.9980000000e-04 -2.5750000000e-04  1.4990000000e-03 -4.2480000000e-04  1.8863000000e-03  1.0339000000e-03 -5.5855000000e-03  4.4845000000e-03 -1.3183000000e-03  3.5157000000e-03
-
-JOB 278
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2713500000e-01  4.4499100000e-01  4.3530500000e-01  3.9444000000e-02 -8.6036100000e-01  4.1767900000e-01 -2.1169630000e+00  3.2914760000e+00  7.2664400000e-01 -2.9268030000e+00  3.7577810000e+00  9.3389000000e-01 -1.4255630000e+00  3.8261600000e+00  1.1169130000e+00
-ENERGY -1.526563816071e+02
-FORCES -3.7687000000e-03 -6.7050000000e-04  3.1503000000e-03  4.4232000000e-03 -3.8371000000e-03 -1.4410000000e-03 -1.1500000000e-04  3.3226000000e-03 -1.5783000000e-03 -7.9820000000e-04  5.4406000000e-03  1.8987000000e-03  3.4952000000e-03 -1.8122000000e-03 -7.2400000000e-04 -3.2365000000e-03 -2.4434000000e-03 -1.3057000000e-03
-
-JOB 279
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4452500000e-01  1.2948500000e-01  8.3777300000e-01 -8.6775000000e-02  8.8089900000e-01 -3.6430500000e-01 -1.9373370000e+00 -9.9366800000e-01  3.1572160000e+00 -2.2435870000e+00 -8.5129400000e-01  4.0528570000e+00 -2.6728370000e+00 -7.2522800000e-01  2.6065690000e+00
-ENERGY -1.526551845467e+02
-FORCES  1.7951000000e-03  3.4237000000e-03  3.1394000000e-03 -8.9300000000e-04  3.1520000000e-04 -4.6875000000e-03 -1.0100000000e-05 -3.5005000000e-03  1.4447000000e-03 -4.9558000000e-03  1.0287000000e-03  5.6740000000e-04  1.4611000000e-03 -3.9470000000e-04 -3.7682000000e-03  2.6027000000e-03 -8.7250000000e-04  3.3043000000e-03
-
-JOB 280
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7210100000e-01 -4.5919500000e-01 -5.0363900000e-01  7.4799800000e-01 -5.9726400000e-01  2.4750000000e-03 -5.7999400000e-01  1.5286000000e-01  2.9612630000e+00 -1.3352600000e+00 -4.2734400000e-01  3.0570140000e+00 -3.9689500000e-01  1.5538700000e-01  2.0217410000e+00
-ENERGY -1.526609085727e+02
-FORCES  9.2260000000e-04 -3.9972000000e-03 -4.8379000000e-03  3.4226000000e-03  1.7042000000e-03  3.0926000000e-03 -4.7146000000e-03  2.8334000000e-03  7.9410000000e-04 -1.1678000000e-03 -1.1063000000e-03 -9.0223000000e-03  2.3702000000e-03  1.5642000000e-03 -6.1640000000e-04 -8.3290000000e-04 -9.9840000000e-04  1.0590100000e-02
-
-JOB 281
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6479100000e-01  6.9088000000e-02  9.4037400000e-01  8.0625700000e-01  4.9671400000e-01 -1.3948600000e-01  2.3293440000e+00  1.3481490000e+00 -9.6412400000e-01  3.1176590000e+00  9.2305200000e-01 -6.2636300000e-01  2.4450510000e+00  2.2737420000e+00 -7.4936400000e-01
-ENERGY -1.526606403917e+02
-FORCES  8.0962000000e-03  5.5493000000e-03 -1.9320000000e-03  1.8256000000e-03  5.9050000000e-04 -3.1007000000e-03 -8.2048000000e-03 -5.5434000000e-03  5.9185000000e-03  3.6776000000e-03  2.1111000000e-03 -1.5730000000e-04 -4.9770000000e-03  2.5777000000e-03 -5.7880000000e-04 -4.1760000000e-04 -5.2852000000e-03 -1.4960000000e-04
-
-JOB 282
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8321100000e-01  4.9518000000e-01 -2.4002000000e-01  7.2895800000e-01  5.6639300000e-01 -2.5308400000e-01 -2.1452560000e+00  1.6529230000e+00 -7.0795700000e-01 -2.1304370000e+00  1.5297730000e+00 -1.6570860000e+00 -2.9487620000e+00  1.2183130000e+00 -4.2208300000e-01
-ENERGY -1.526604311268e+02
-FORCES -8.5133000000e-03  1.1150700000e-02 -2.6547000000e-03  6.5012000000e-03 -8.5433000000e-03  4.0750000000e-04 -2.2060000000e-03 -1.6768000000e-03 -8.6400000000e-05 -2.6002000000e-03 -1.5956000000e-03 -1.7289000000e-03  1.3301000000e-03 -6.5820000000e-04  6.0739000000e-03  5.4882000000e-03  1.3231000000e-03 -2.0114000000e-03
-
-JOB 283
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7740300000e-01 -8.6605000000e-01  2.9872400000e-01  1.0440200000e-01 -2.9351000000e-02 -9.5103700000e-01 -2.1123580000e+00  1.5643090000e+00  8.1185700000e-01 -2.9190430000e+00  1.1346630000e+00  5.2743600000e-01 -1.4228970000e+00  9.2636800000e-01  6.2771600000e-01
-ENERGY -1.526607420999e+02
-FORCES -1.5112000000e-03  3.7050000000e-04 -1.5329000000e-03 -1.6018000000e-03  4.0871000000e-03 -2.6332000000e-03 -3.7200000000e-04 -1.3868000000e-03  5.0243000000e-03  8.5885000000e-03 -8.9822000000e-03 -3.8960000000e-03  2.9544000000e-03  5.5570000000e-04  2.3580000000e-04 -8.0579000000e-03  5.3557000000e-03  2.8019000000e-03
-
-JOB 284
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1067100000e-01  4.8883000000e-02  9.4952300000e-01 -1.1783200000e-01 -9.2688000000e-01 -2.0794400000e-01 -6.4098400000e-01 -2.3952700000e-01  2.9142280000e+00 -1.4266310000e+00  1.8341200000e-01  3.2608010000e+00  8.3375000000e-02  2.9093700000e-01  3.2461080000e+00
-ENERGY -1.526607905566e+02
-FORCES -3.3973000000e-03 -4.7270000000e-03  8.6667000000e-03  4.8049000000e-03  3.1054000000e-03 -7.8735000000e-03  5.1470000000e-04  2.8763000000e-03 -2.3370000000e-04 -2.3594000000e-03  2.9216000000e-03  4.7200000000e-03  4.3912000000e-03 -1.9093000000e-03 -1.0784000000e-03 -3.9540000000e-03 -2.2669000000e-03 -4.2010000000e-03
-
-JOB 285
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1475500000e-01  1.4679200000e-01  9.3889000000e-01  7.6965600000e-01 -5.6568500000e-01 -6.2154000000e-02  5.7321900000e-01  3.0287600000e-01  2.7608260000e+00  1.2760150000e+00 -2.2934300000e-01  3.1337240000e+00  6.6319400000e-01  1.1538440000e+00  3.1897670000e+00
-ENERGY -1.526596449137e+02
-FORCES  4.9415000000e-03 -4.0990000000e-04  1.2002000000e-02 -3.5371000000e-03  4.6400000000e-05 -7.5226000000e-03 -1.8217000000e-03  9.2630000000e-04 -7.6820000000e-04  3.1394000000e-03  8.0500000000e-04 -6.1110000000e-04 -2.7922000000e-03  3.1344000000e-03 -1.5204000000e-03  7.0200000000e-05 -4.5022000000e-03 -1.5797000000e-03
-
-JOB 286
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1740000000e-03  9.4710400000e-01  1.3862100000e-01  9.2470000000e-01 -2.4469500000e-01  3.5864000000e-02 -2.0526620000e+00 -1.4866870000e+00  1.2148040000e+00 -1.3222580000e+00 -9.2127500000e-01  9.6370500000e-01 -2.8190530000e+00 -1.0844780000e+00  8.0601900000e-01
-ENERGY -1.526607272058e+02
-FORCES  2.4322000000e-03  5.7700000000e-05  7.8490000000e-04 -2.6160000000e-04 -5.2386000000e-03 -3.6430000000e-04 -4.4891000000e-03  2.4599000000e-03 -1.3020000000e-04  7.3430000000e-03  7.1907000000e-03 -7.3294000000e-03 -7.2425000000e-03 -3.9619000000e-03  5.6444000000e-03  2.2180000000e-03 -5.0780000000e-04  1.3946000000e-03
-
-JOB 287
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6429000000e-02 -1.7263000000e-02  9.5635100000e-01  7.6747200000e-01  5.3544100000e-01 -2.0130100000e-01  1.1599800000e-01 -1.1738000000e-02  2.7479700000e+00 -5.8586500000e-01  5.5795000000e-01  3.0627340000e+00  9.0368600000e-01  3.1543800000e-01  3.1824060000e+00
-ENERGY -1.526598761463e+02
-FORCES  3.5074000000e-03  6.0430000000e-04  1.4686200000e-02 -3.1959000000e-03  1.3907000000e-03 -9.4548000000e-03 -1.8125000000e-03 -1.2899000000e-03  1.0073000000e-03  1.5841000000e-03  2.6872000000e-03 -1.3935000000e-03  4.4985000000e-03 -2.6352000000e-03 -2.8743000000e-03 -4.5816000000e-03 -7.5710000000e-04 -1.9709000000e-03
-
-JOB 288
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2383000000e-01 -3.6900300000e-01 -5.0610200000e-01  7.8733700000e-01 -2.9033000000e-01 -4.6048000000e-01  2.3329140000e+00 -8.8792800000e-01 -1.1040920000e+00  2.4434230000e+00 -1.0932370000e+00 -2.0324600000e+00  3.1819070000e+00 -5.3888100000e-01 -8.3278200000e-01
-ENERGY -1.526604072646e+02
-FORCES  1.0785400000e-02 -5.7784000000e-03 -6.5645000000e-03  2.9511000000e-03  6.5670000000e-04  3.7760000000e-04 -8.6864000000e-03  3.2152000000e-03  3.2701000000e-03 -1.2765000000e-03  3.0309000000e-03  1.0098000000e-03 -1.2730000000e-04  1.1909000000e-03  4.7593000000e-03 -3.6463000000e-03 -2.3151000000e-03 -2.8522000000e-03
-
-JOB 289
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3323900000e-01 -3.2247300000e-01 -3.4344700000e-01  6.4399000000e-02  8.9651700000e-01 -3.2915300000e-01  4.1221100000e-01  1.0164500000e-01  3.0425260000e+00  1.9727300000e-01 -1.5197500000e-01  2.1449120000e+00  3.1654400000e-01  1.0540030000e+00  3.0522640000e+00
-ENERGY -1.526601813655e+02
-FORCES -2.3972000000e-03  2.7627000000e-03 -4.9909000000e-03  4.0256000000e-03  2.0015000000e-03  2.1393000000e-03 -9.4140000000e-04 -4.1783000000e-03  1.9127000000e-03 -1.2686000000e-03  2.0971000000e-03 -8.8681000000e-03  2.0410000000e-04 -1.4490000000e-04  9.4932000000e-03  3.7750000000e-04 -2.5380000000e-03  3.1380000000e-04
-
-JOB 290
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1008100000e-01 -5.0178900000e-01  9.0598000000e-02 -2.7572400000e-01  9.1441500000e-01  6.3667000000e-02 -2.1318030000e+00 -1.4164780000e+00  5.3409600000e-01 -2.2192160000e+00 -2.3223980000e+00  2.3761600000e-01 -1.8640480000e+00 -1.4885720000e+00  1.4502520000e+00
-ENERGY -1.526588273640e+02
-FORCES -1.7336500000e-02 -9.1607000000e-03  1.0180000000e-03  8.5050000000e-03  4.9745000000e-03  2.9059000000e-03 -6.4910000000e-04 -3.2725000000e-03  8.2600000000e-04  8.6017000000e-03  1.6413000000e-03 -8.6420000000e-04  9.1360000000e-04  4.6390000000e-03  2.8475000000e-03 -3.4600000000e-05  1.1784000000e-03 -6.7332000000e-03
-
-JOB 291
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0083300000e-01  5.4210600000e-01  3.6219600000e-01  8.0599000000e-01  4.5440700000e-01  2.4520600000e-01  2.5149760000e+00  1.3652260000e+00  6.4343300000e-01  3.4237670000e+00  1.0686590000e+00  5.9464600000e-01  2.5478420000e+00  2.2842270000e+00  3.7774500000e-01
-ENERGY -1.526614345906e+02
-FORCES  6.5963000000e-03  5.1932000000e-03  3.7099000000e-03  2.5704000000e-03 -9.7150000000e-04 -1.2910000000e-03 -9.5013000000e-03 -3.4921000000e-03 -2.3063000000e-03  3.9601000000e-03  7.9840000000e-04 -1.7733000000e-03 -3.5913000000e-03  2.9519000000e-03  2.1040000000e-04 -3.4200000000e-05 -4.4800000000e-03  1.4503000000e-03
-
-JOB 292
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0405200000e-01  5.3571700000e-01  3.6544500000e-01  7.9654500000e-01  3.3995700000e-01  4.0764800000e-01  2.2824960000e+00  1.1505770000e+00  8.6679700000e-01  3.0675410000e+00  7.9742300000e-01  4.4820500000e-01  2.3645600000e+00  2.0992380000e+00  7.6912700000e-01
-ENERGY -1.526600112571e+02
-FORCES  1.2063600000e-02  7.9647000000e-03  6.7121000000e-03  2.7267000000e-03 -4.0780000000e-04 -8.8350000000e-04 -7.6630000000e-03 -5.2100000000e-03 -2.9533000000e-03 -3.6061000000e-03 -3.3830000000e-04 -5.4241000000e-03 -4.0269000000e-03  2.7596000000e-03  2.0175000000e-03  5.0570000000e-04 -4.7681000000e-03  5.3130000000e-04
-
-JOB 293
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0990300000e-01 -7.6510000000e-03 -9.5083900000e-01  3.7581000000e-02  9.2625300000e-01  2.3848300000e-01  2.2702090000e+00 -1.3082590000e+00  5.6988700000e-01  1.5125120000e+00 -7.4243800000e-01  4.2165700000e-01  3.0111400000e+00 -8.1387200000e-01  2.1940900000e-01
-ENERGY -1.526584140026e+02
-FORCES  3.0014000000e-03 -3.8200000000e-04 -1.6926000000e-03  1.9270000000e-03  5.5340000000e-04  6.4985000000e-03  1.9943000000e-03 -5.7256000000e-03 -1.8830000000e-03 -1.3713000000e-02  9.0802000000e-03 -2.5551000000e-03  1.0800300000e-02 -3.4524000000e-03 -5.1180000000e-04 -4.0101000000e-03 -7.3500000000e-05  1.4390000000e-04
-
-JOB 294
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2046000000e-01 -1.9439800000e-01 -9.2947900000e-01  8.5230900000e-01  3.2554700000e-01  2.8951600000e-01  2.3127850000e+00  1.0476330000e+00  8.1363000000e-01  2.9540720000e+00  5.9166200000e-01  2.6858600000e-01  2.5091290000e+00  7.6129900000e-01  1.7056470000e+00
-ENERGY -1.526582996709e+02
-FORCES  1.5608000000e-02  8.5529000000e-03  4.0930000000e-03  1.8030000000e-03  8.1490000000e-04  2.9318000000e-03 -7.2539000000e-03 -7.1056000000e-03 -3.8094000000e-03 -2.8909000000e-03 -4.2624000000e-03  1.8560000000e-04 -5.9962000000e-03  1.2180000000e-03  2.4566000000e-03 -1.2700000000e-03  7.8210000000e-04 -5.8576000000e-03
-
-JOB 295
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3614900000e-01 -3.0856000000e-02  8.9570300000e-01  6.3230800000e-01  5.3908300000e-01 -4.7519300000e-01 -2.3682870000e+00  1.2094260000e+00 -8.8365600000e-01 -2.4077110000e+00  2.1000180000e+00 -5.3505400000e-01 -1.6113050000e+00  8.1532800000e-01 -4.5018500000e-01
-ENERGY -1.526606948513e+02
-FORCES  2.5473000000e-03  1.3904000000e-03  3.6850000000e-04 -1.2869000000e-03  1.1302000000e-03 -4.9126000000e-03 -4.1956000000e-03 -1.8882000000e-03  3.6458000000e-03  9.4082000000e-03 -4.1715000000e-03  5.8828000000e-03  1.3975000000e-03 -2.9026000000e-03 -7.1560000000e-04 -7.8705000000e-03  6.4418000000e-03 -4.2688000000e-03
-
-JOB 296
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4953500000e-01  1.5116900000e-01  4.1433100000e-01  1.9447200000e-01 -4.6875000000e-02 -9.3606400000e-01 -7.3700200000e-01  1.0006100000e-01 -2.6981100000e+00 -1.5091200000e+00  6.4900000000e-01 -2.8349780000e+00 -1.0773000000e-02  6.1562700000e-01 -3.0488450000e+00
-ENERGY -1.526570230530e+02
-FORCES -1.4657000000e-03 -9.3100000000e-04 -8.4416000000e-03 -2.8248000000e-03  3.0000000000e-06 -3.8669000000e-03  6.6221000000e-03  1.5146000000e-03  6.9164000000e-03 -4.2897000000e-03  5.1026000000e-03  1.3849000000e-03  3.9772000000e-03 -2.3847000000e-03 -1.3955000000e-03 -2.0190000000e-03 -3.3045000000e-03  5.4026000000e-03
-
-JOB 297
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1725700000e-01 -5.4560300000e-01  3.2263200000e-01  7.8732700000e-01 -3.8851200000e-01  3.8132200000e-01 -2.7506700000e-01  2.8657540000e+00  4.2345200000e-01 -1.0717500000e+00  3.1179160000e+00 -4.3392000000e-02 -2.2862900000e-01  1.9150020000e+00  3.2272300000e-01
-ENERGY -1.526616958870e+02
-FORCES  1.2672000000e-03 -3.7862000000e-03  2.5650000000e-03  3.6968000000e-03  2.9834000000e-03 -1.4607000000e-03 -4.6171000000e-03  1.3870000000e-03 -1.5840000000e-03 -9.2060000000e-04 -9.7270000000e-03 -3.6562000000e-03  2.0043000000e-03 -1.3175000000e-03  1.6219000000e-03 -1.4307000000e-03  1.0460300000e-02  2.5141000000e-03
-
-JOB 298
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3794800000e-01  3.8012700000e-01 -2.6377700000e-01  6.5738800000e-01  5.9769700000e-01 -3.5613400000e-01 -7.5819000000e-01  2.1529000000e-01  2.6570760000e+00 -4.6594700000e-01  2.1470600000e-01  1.7455800000e+00 -8.2872700000e-01 -7.1118600000e-01  2.8870750000e+00
-ENERGY -1.526603647377e+02
-FORCES  2.6300000000e-05  2.9998000000e-03 -7.9270000000e-04  5.2914000000e-03 -1.5796000000e-03  4.8561000000e-03 -4.3151000000e-03 -2.7226000000e-03  1.7727000000e-03  5.9857000000e-03 -4.6506000000e-03 -1.2271600000e-02 -6.8557000000e-03  3.3508000000e-03  7.2407000000e-03 -1.3260000000e-04  2.6022000000e-03 -8.0520000000e-04
-
-JOB 299
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5122500000e-01 -3.0550700000e-01 -3.1354800000e-01  5.4706000000e-02  9.0734000000e-01 -2.9995400000e-01 -2.3515610000e+00 -1.1751900000e+00 -6.7590600000e-01 -2.2731450000e+00 -1.0207070000e+00 -1.6172980000e+00 -3.0549010000e+00 -5.9009800000e-01 -3.9446200000e-01
-ENERGY -1.526578560217e+02
-FORCES -1.3304700000e-02 -6.0310000000e-03 -2.9636000000e-03  8.7357000000e-03  7.5884000000e-03 -1.5898000000e-03 -2.5712000000e-03 -3.5354000000e-03 -2.9200000000e-05 -6.4590000000e-04  1.8609000000e-03 -3.4460000000e-04  2.1977000000e-03  2.0499000000e-03  7.1661000000e-03  5.5884000000e-03 -1.9328000000e-03 -2.2389000000e-03
-
-JOB 300
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3870000000e-03  3.3639700000e-01  8.9613100000e-01  7.7084200000e-01  3.9429200000e-01 -4.0812800000e-01 -2.0804450000e+00  1.1207730000e+00 -1.2564550000e+00 -1.8947410000e+00  1.2915620000e+00 -2.1798060000e+00 -1.3565100000e+00  5.6675200000e-01 -9.6454800000e-01
-ENERGY -1.526591612683e+02
-FORCES -3.7746000000e-03  7.4088000000e-03  5.1740000000e-04  1.4875000000e-03 -1.8429000000e-03 -4.7413000000e-03 -5.1279000000e-03 -1.4509000000e-03  1.2402000000e-03  1.2290300000e-02 -7.9718000000e-03  6.3675000000e-03  1.8517000000e-03 -1.1163000000e-03  3.4251000000e-03 -6.7271000000e-03  4.9731000000e-03 -6.8088000000e-03
-
-JOB 301
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9010000000e-01 -4.1758300000e-01  3.4292700000e-01 -8.4741000000e-02  9.1899800000e-01  2.5395600000e-01  2.2274740000e+00 -1.3641990000e+00  1.1133190000e+00  1.4115940000e+00 -8.8206600000e-01  9.7871000000e-01  2.1500900000e+00 -2.1303460000e+00  5.4475600000e-01
-ENERGY -1.526598808626e+02
-FORCES -2.2430000000e-03  2.8242000000e-03  2.7760000000e-04  5.8687000000e-03  1.4825000000e-03 -6.8470000000e-04  2.2780000000e-04 -5.4902000000e-03 -4.9670000000e-04 -9.6079000000e-03  4.2935000000e-03 -7.9886000000e-03  5.6207000000e-03 -4.6756000000e-03  6.7181000000e-03  1.3370000000e-04  1.5656000000e-03  2.1743000000e-03
-
-JOB 302
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8561600000e-01  1.7314200000e-01  3.1927800000e-01  1.0962800000e-01 -9.4588500000e-01  9.7548000000e-02  2.2375440000e+00  1.2338700000e+00  4.7548400000e-01  1.4500960000e+00  7.3391600000e-01  2.6053600000e-01  2.9282170000e+00  8.3210500000e-01 -5.1571000000e-02
-ENERGY -1.526576390944e+02
-FORCES  7.4807000000e-03  6.2127000000e-03  5.0555000000e-03  3.8583000000e-03 -3.3299000000e-03 -1.9186000000e-03  4.5900000000e-05  5.6502000000e-03 -3.6760000000e-04 -1.6569600000e-02 -7.9198000000e-03 -4.5112000000e-03  8.8790000000e-03  2.9030000000e-04  5.4210000000e-04 -3.6943000000e-03 -9.0340000000e-04  1.1997000000e-03
-
-JOB 303
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0193000000e-02  1.0726800000e-01  9.5111600000e-01  7.9949900000e-01  4.3320300000e-01 -2.9894700000e-01  2.3993680000e+00  1.1354560000e+00 -7.9806800000e-01  2.3755190000e+00  1.0891400000e+00 -1.7538490000e+00  3.0424870000e+00  4.7445200000e-01 -5.4174100000e-01
-ENERGY -1.526608765889e+02
-FORCES  1.2231200000e-02  7.9493000000e-03 -1.3190000000e-03  9.2150000000e-04 -5.8770000000e-04 -2.6525000000e-03 -8.9328000000e-03 -6.2130000000e-03  1.3157000000e-03  8.6450000000e-04 -3.5362000000e-03 -1.9405000000e-03 -6.6340000000e-04 -8.7820000000e-04  5.9041000000e-03 -4.4211000000e-03  3.2657000000e-03 -1.3078000000e-03
-
-JOB 304
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8419900000e-01  5.7953100000e-01 -3.3503400000e-01 -8.1654300000e-01  4.7018600000e-01 -1.6856500000e-01 -2.2462200000e-01 -2.6686090000e+00 -7.7124400000e-01  6.0354200000e-01 -3.0805300000e+00 -5.2487700000e-01 -1.6248900000e-01 -1.7786050000e+00 -4.2445300000e-01
-ENERGY -1.526611833688e+02
-FORCES -3.2400000000e-05  2.9940000000e-04 -3.9855000000e-03 -3.8907000000e-03 -1.8344000000e-03  1.9590000000e-03  4.7422000000e-03 -2.2193000000e-03  4.0500000000e-04  3.5836000000e-03  1.1490700000e-02  4.8525000000e-03 -1.8598000000e-03  1.8680000000e-03 -8.4650000000e-04 -2.5430000000e-03 -9.6044000000e-03 -2.3846000000e-03
-
-JOB 305
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3536600000e-01  3.9069800000e-01  2.5641800000e-01 -9.4277000000e-02 -9.2866100000e-01  2.1197500000e-01  2.3022850000e+00  1.4847260000e+00  7.8818000000e-01  1.4500150000e+00  1.1018170000e+00  5.8021900000e-01  2.9311330000e+00  9.4536500000e-01  3.0873200000e-01
-ENERGY -1.526609600619e+02
-FORCES -1.3144000000e-03 -2.3355000000e-03  2.3585000000e-03  4.8606000000e-03 -2.1309000000e-03 -6.0790000000e-04 -4.9020000000e-04  4.5452000000e-03 -1.4168000000e-03 -7.8044000000e-03 -8.1863000000e-03 -5.5267000000e-03  5.9093000000e-03  6.8117000000e-03  3.4271000000e-03 -1.1608000000e-03  1.2959000000e-03  1.7659000000e-03
-
-JOB 306
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1494000000e-02 -9.4119900000e-01 -1.6927800000e-01  6.5462600000e-01  3.2625900000e-01 -6.1745600000e-01 -3.8381800000e-01 -2.5179270000e+00 -8.0161600000e-01 -4.6885800000e-01 -2.4589970000e+00 -1.7532080000e+00 -1.2591310000e+00 -2.7569750000e+00 -4.9679600000e-01
-ENERGY -1.526591150761e+02
-FORCES  1.1920000000e-04 -1.7131900000e-02 -6.0212000000e-03  6.5700000000e-05  9.5281000000e-03  3.3087000000e-03 -2.2444000000e-03 -1.9364000000e-03  5.9130000000e-04 -3.2734000000e-03  7.4667000000e-03 -9.6020000000e-04  4.2350000000e-04  1.9200000000e-05  5.1624000000e-03  4.9093000000e-03  2.0543000000e-03 -2.0811000000e-03
-
-JOB 307
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7932200000e-01 -5.4383400000e-01  3.9874600000e-01  3.2095000000e-01  8.9628000000e-01  9.9521000000e-02  2.0205250000e+00 -1.5763060000e+00  1.1340200000e+00  1.9837430000e+00 -1.1809720000e+00  2.0049910000e+00  2.7005780000e+00 -1.0831540000e+00  6.7515100000e-01
-ENERGY -1.526583669318e+02
-FORCES  9.3927000000e-03 -6.9954000000e-03  5.3242000000e-03 -5.2218000000e-03  9.5992000000e-03 -3.2712000000e-03  6.7070000000e-04 -3.7614000000e-03  5.2630000000e-04  3.0427000000e-03  1.9131000000e-03  1.7939000000e-03 -1.1664000000e-03 -2.2380000000e-04 -6.6953000000e-03 -6.7178000000e-03 -5.3180000000e-04  2.3222000000e-03
-
-JOB 308
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6689000000e-01  1.8060200000e-01 -9.2507400000e-01 -6.7532700000e-01  4.9264500000e-01  4.6633300000e-01  2.3900960000e+00  1.1249100000e+00  7.9667700000e-01  1.6042270000e+00  7.2367300000e-01  4.2566500000e-01  3.0903830000e+00  8.8810300000e-01  1.8860500000e-01
-ENERGY -1.526606818787e+02
-FORCES -1.5900000000e-03  3.6026000000e-03  5.1910000000e-04  2.1303000000e-03 -1.7380000000e-04  5.2492000000e-03  3.9022000000e-03 -2.3468000000e-03 -3.4074000000e-03 -1.0531300000e-02 -7.5984000000e-03 -4.8699000000e-03  9.3784000000e-03  6.2338000000e-03  1.8226000000e-03 -3.2896000000e-03  2.8250000000e-04  6.8640000000e-04
-
-JOB 309
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8694000000e-02 -1.0315700000e-01 -9.4914300000e-01  1.8201600000e-01  9.2695600000e-01  1.5445200000e-01 -1.9791380000e+00 -1.4545910000e+00  1.0698610000e+00 -1.8901490000e+00 -1.3192220000e+00  2.0132530000e+00 -1.2205890000e+00 -1.0103530000e+00  6.9106400000e-01
-ENERGY -1.526596320759e+02
-FORCES -6.7293000000e-03 -5.7630000000e-04  1.7336000000e-03 -5.5650000000e-04  1.3451000000e-03  5.2108000000e-03  1.6080000000e-04 -4.3813000000e-03 -2.0835000000e-03  1.2835600000e-02  9.5310000000e-03 -3.8741000000e-03  1.7750000000e-04  6.0980000000e-04 -2.5761000000e-03 -5.8882000000e-03 -6.5282000000e-03  1.5892000000e-03
-
-JOB 310
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9181000000e-02 -7.7539800000e-01 -5.6048000000e-01  7.5282100000e-01  5.2334100000e-01 -2.7496700000e-01 -4.4299260000e+00 -1.6290000000e-01 -1.9321800000e-01 -5.0925780000e+00  2.6324400000e-01 -7.3684200000e-01 -4.3434360000e+00 -1.0409570000e+00 -5.6438700000e-01
-ENERGY -1.526528386383e+02
-FORCES  2.7331000000e-03 -8.0640000000e-04 -3.4145000000e-03 -7.3300000000e-05  2.9356000000e-03  2.2402000000e-03 -3.0684000000e-03 -2.1357000000e-03  1.1588000000e-03 -1.8629000000e-03 -1.6789000000e-03 -3.6092000000e-03  2.6839000000e-03 -1.7289000000e-03  2.2457000000e-03 -4.1230000000e-04  3.4143000000e-03  1.3791000000e-03
-
-JOB 311
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5006400000e-01  6.4440000000e-03 -9.2393600000e-01  2.4463100000e-01 -9.0850600000e-01  1.7608200000e-01  2.5374800000e-01 -2.4663600000e+00  8.7499500000e-01 -3.9636000000e-02 -2.1867730000e+00  1.7421670000e+00  1.1264640000e+00 -2.8307050000e+00  1.0228220000e+00
-ENERGY -1.526595261641e+02
-FORCES  1.5697000000e-03 -1.8142200000e-02  2.8639000000e-03  1.1862000000e-03 -1.5758000000e-03  2.5541000000e-03 -5.7510000000e-04  1.0267400000e-02 -4.7070000000e-04 -7.8380000000e-04  6.8999000000e-03  1.5869000000e-03  3.2753000000e-03 -8.5590000000e-04 -5.7934000000e-03 -4.6723000000e-03  3.4066000000e-03 -7.4070000000e-04
-
-JOB 312
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2341000000e-02  9.0992000000e-02  9.4838000000e-01  8.0653600000e-01  3.7236700000e-01 -3.5647500000e-01  2.5980610000e+00  1.2151110000e+00 -7.7190700000e-01  2.2216660000e+00  1.1333020000e+00 -1.6481870000e+00  2.2225290000e+00  2.0239010000e+00 -4.2396100000e-01
-ENERGY -1.526576343714e+02
-FORCES  1.0505800000e-02  1.9777000000e-03  2.1819000000e-03 -9.6490000000e-04  4.0100000000e-04 -3.0466000000e-03 -8.8313000000e-03  5.9730000000e-04 -2.3894000000e-03  4.7200000000e-04  5.0623000000e-03 -3.3932000000e-03 -1.1218000000e-03 -1.4215000000e-03  7.5864000000e-03 -5.9700000000e-05 -6.6168000000e-03 -9.3910000000e-04
-
-JOB 313
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0157300000e-01  2.0226400000e-01 -9.3005600000e-01 -8.1955500000e-01 -4.9194600000e-01  5.0500000000e-02  3.4674000000e-02  4.9418100000e-01 -2.8652100000e+00  7.6535400000e-01 -1.1669600000e-01 -2.9609550000e+00  3.7899800000e-01  1.3309950000e+00 -3.1773240000e+00
-ENERGY -1.526607326051e+02
-FORCES -4.2137000000e-03  1.7232000000e-03 -1.0469100000e-02  3.8778000000e-03 -3.9299000000e-03  8.7212000000e-03  2.6923000000e-03  1.0807000000e-03  1.3220000000e-04  3.1342000000e-03  1.9927000000e-03 -3.6426000000e-03 -4.3352000000e-03  3.9402000000e-03  3.6565000000e-03 -1.1555000000e-03 -4.8068000000e-03  1.6018000000e-03
-
-JOB 314
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5484000000e-02  9.4121300000e-01 -1.7352300000e-01  6.9867300000e-01 -3.5668200000e-01 -5.4851300000e-01  2.3434760000e+00 -1.2435570000e+00 -9.3416100000e-01  2.3083640000e+00 -2.0872370000e+00 -4.8338200000e-01  3.0096330000e+00 -7.4575400000e-01 -4.6018000000e-01
-ENERGY -1.526609619243e+02
-FORCES  9.4452000000e-03 -3.2218000000e-03 -6.1772000000e-03  1.4952000000e-03 -3.1061000000e-03  4.2630000000e-04 -8.8027000000e-03  4.9651000000e-03  4.1789000000e-03  1.0414000000e-03 -1.0774000000e-03  6.2482000000e-03  4.8580000000e-04  4.6629000000e-03 -2.2093000000e-03 -3.6648000000e-03 -2.2227000000e-03 -2.4669000000e-03
-
-JOB 315
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3579700000e-01 -4.8193200000e-01 -3.7759300000e-01 -2.5679000000e-02  8.5400000000e-01 -4.3157400000e-01 -2.5455830000e+00 -1.2498370000e+00 -6.2287100000e-01 -2.5814170000e+00 -1.2499710000e+00 -1.5794000000e+00 -2.7367060000e+00 -2.1545330000e+00 -3.7542800000e-01
-ENERGY -1.526598079398e+02
-FORCES -9.8833000000e-03 -1.9637000000e-03 -2.1458000000e-03  9.6508000000e-03  4.0765000000e-03 -1.3794000000e-03 -3.5630000000e-04 -3.0691000000e-03  6.1740000000e-04 -2.6276000000e-03 -4.4200000000e-03 -4.1750000000e-04  2.5960000000e-03  8.3010000000e-04  5.4950000000e-03  6.2060000000e-04  4.5462000000e-03 -2.1697000000e-03
-
-JOB 316
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1523000000e-02  1.1457000000e-01 -9.5007500000e-01 -2.6742900000e-01  8.5437500000e-01  3.3875800000e-01  2.1612990000e+00 -1.2116770000e+00  1.4111720000e+00  1.4526130000e+00 -8.1802500000e-01  9.0221900000e-01  2.9582840000e+00 -9.7140800000e-01  9.3860600000e-01
-ENERGY -1.526613381259e+02
-FORCES -4.7250000000e-04  2.8780000000e-03 -1.2310000000e-03  1.8350000000e-04  3.6730000000e-04  4.9327000000e-03  1.5334000000e-03 -4.0963000000e-03 -2.7550000000e-03 -6.8723000000e-03  5.2273000000e-03 -7.1554000000e-03  8.3635000000e-03 -3.9977000000e-03  5.3928000000e-03 -2.7356000000e-03 -3.7860000000e-04  8.1590000000e-04
-
-JOB 317
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7333000000e-02  8.1052000000e-02  9.5303100000e-01  8.1592400000e-01 -4.7110100000e-01 -1.6901000000e-01  2.5021220000e+00 -1.0665310000e+00 -5.0609500000e-01  2.6143330000e+00 -1.0156360000e+00 -1.4553310000e+00  2.7601650000e+00 -1.9605180000e+00 -2.8152400000e-01
-ENERGY -1.526610041851e+02
-FORCES  1.3089600000e-02 -4.9161000000e-03  7.7500000000e-04  3.7470000000e-04 -8.8530000000e-04 -2.4805000000e-03 -9.7631000000e-03  3.5076000000e-03 -1.6650000000e-04 -9.9480000000e-04 -1.2657000000e-03 -2.0874000000e-03 -1.3502000000e-03 -1.1517000000e-03  5.5167000000e-03 -1.3562000000e-03  4.7112000000e-03 -1.5574000000e-03
-
-JOB 318
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9181000000e-02 -2.5133500000e-01 -9.1929800000e-01 -6.9261400000e-01 -4.8425000000e-01  4.4946500000e-01  2.2876080000e+00 -1.5090690000e+00  5.1045800000e-01  1.5728390000e+00 -8.7920900000e-01  4.1764700000e-01  3.0270660000e+00 -1.1010160000e+00  5.9984000000e-02
-ENERGY -1.526611155161e+02
-FORCES -2.2912000000e-03 -4.6695000000e-03 -1.7057000000e-03  1.4879000000e-03  9.6440000000e-04  5.3242000000e-03  4.2700000000e-03  2.1388000000e-03 -2.8365000000e-03 -8.6732000000e-03  9.6614000000e-03 -1.9796000000e-03  8.4579000000e-03 -7.3985000000e-03  7.7450000000e-04 -3.2513000000e-03 -6.9650000000e-04  4.2310000000e-04
-
-JOB 319
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1417200000e-01 -6.4227600000e-01 -4.8922500000e-01 -1.2296900000e-01  8.2016300000e-01 -4.7795700000e-01  9.6950000000e-02  2.4058650000e+00 -1.2287380000e+00 -5.2984400000e-01  2.9560340000e+00 -7.5897600000e-01  9.5428200000e-01  2.7169400000e+00 -9.3814300000e-01
-ENERGY -1.526606671761e+02
-FORCES -2.6200000000e-04  1.2381600000e-02 -9.3665000000e-03  9.8990000000e-04  3.2727000000e-03  5.7490000000e-04 -1.7952000000e-03 -8.6777000000e-03  6.9729000000e-03  3.0533000000e-03 -9.8200000000e-04  4.4744000000e-03  3.5149000000e-03 -4.7941000000e-03 -1.5950000000e-03 -5.5008000000e-03 -1.2005000000e-03 -1.0607000000e-03
-
-JOB 320
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0138100000e-01 -4.9368700000e-01 -4.2493400000e-01 -1.0382500000e-01  8.9380100000e-01 -3.2645400000e-01 -3.2260200000e-01  3.1351900000e-01  2.6951910000e+00 -1.5654600000e-01  5.4291600000e-01  1.7808420000e+00  3.4579300000e-01 -3.3904500000e-01  2.9040940000e+00
-ENERGY -1.526573574427e+02
-FORCES -5.3959000000e-03 -1.9410000000e-03  2.1811000000e-03  4.0226000000e-03  3.0297000000e-03  6.8950000000e-04 -2.3800000000e-04 -4.4352000000e-03  5.9658000000e-03  4.5584000000e-03 -5.3232000000e-03 -1.4757400000e-02 -8.4750000000e-04  7.1002000000e-03  5.2841000000e-03 -2.0995000000e-03  1.5694000000e-03  6.3700000000e-04
-
-JOB 321
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7671400000e-01 -4.6324900000e-01 -3.1360500000e-01 -1.1312200000e-01  8.9746400000e-01 -3.1303800000e-01 -2.0993920000e+00 -1.5979910000e+00 -9.4127300000e-01 -2.0305720000e+00 -1.3015440000e+00 -1.8488060000e+00 -1.9082620000e+00 -2.5351240000e+00 -9.7977400000e-01
-ENERGY -1.526601520188e+02
-FORCES -1.0365800000e-02 -5.4589000000e-03 -2.7000000000e-03  8.3009000000e-03  7.8368000000e-03 -1.8100000000e-04 -8.5310000000e-04 -3.6533000000e-03 -3.7750000000e-04  2.9063000000e-03 -3.6837000000e-03 -2.0420000000e-03  1.5170000000e-03  9.1900000000e-05  6.1965000000e-03 -1.5053000000e-03  4.8673000000e-03 -8.9590000000e-04
-
-JOB 322
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4840000000e-03 -2.4572300000e-01 -9.2512200000e-01 -1.2577800000e-01 -8.2577800000e-01  4.6744300000e-01 -2.4955150000e+00  1.1308730000e+00  7.1874300000e-01 -3.1973620000e+00  7.0299900000e-01  2.2826700000e-01 -1.6895430000e+00  8.0292100000e-01  3.1988400000e-01
-ENERGY -1.526600615685e+02
-FORCES  1.0753000000e-03 -4.4696000000e-03  1.6640000000e-04 -2.2880000000e-03  1.4687000000e-03  5.3647000000e-03 -5.9260000000e-04  4.7318000000e-03 -3.6311000000e-03  9.4917000000e-03 -4.3432000000e-03 -4.6361000000e-03  3.4834000000e-03  3.7530000000e-04  1.0134000000e-03 -1.1169800000e-02  2.2371000000e-03  1.7229000000e-03
-
-JOB 323
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4632000000e-01 -1.8769300000e-01 -8.2571300000e-01  7.2322200000e-01 -6.2634100000e-01  2.9656000000e-02 -8.6406800000e-01 -6.0113100000e-01 -2.3357430000e+00 -1.5866900000e+00 -1.1581260000e+00 -2.6252350000e+00 -7.5384000000e-02 -1.0717740000e+00 -2.6053810000e+00
-ENERGY -1.526550345759e+02
-FORCES -8.7010000000e-03 -6.4039000000e-03 -2.0160100000e-02  5.8428000000e-03  8.0480000000e-04  5.4131000000e-03 -1.9607000000e-03  1.1095000000e-03 -2.4008000000e-03  4.1215000000e-03  4.2170000000e-04  1.2142900000e-02  5.2622000000e-03  2.1961000000e-03  9.3330000000e-04 -4.5648000000e-03  1.8718000000e-03  4.0716000000e-03
-
-JOB 324
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2345000000e-02 -2.0582000000e-02  9.5342900000e-01 -6.4695800000e-01  6.4627200000e-01 -2.8286100000e-01 -1.5746000000e-01 -2.4894060000e+00 -9.4830300000e-01 -9.8806000000e-01 -2.8790120000e+00 -6.7527900000e-01 -2.2590600000e-01 -1.5710100000e+00 -6.8735100000e-01
-ENERGY -1.526591629202e+02
-FORCES -1.0722000000e-03 -4.3488000000e-03  9.6650000000e-04 -1.0078000000e-03  4.4280000000e-04 -5.5891000000e-03  2.6549000000e-03 -4.8753000000e-03  2.0826000000e-03 -2.6450000000e-04  1.5567300000e-02  5.9344000000e-03  2.1694000000e-03  2.8249000000e-03  2.1770000000e-04 -2.4796000000e-03 -9.6109000000e-03 -3.6120000000e-03
-
-JOB 325
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6988000000e-02  4.2617000000e-02  9.5587000000e-01 -8.6482700000e-01 -3.2509100000e-01 -2.5024500000e-01  1.9097440000e+00 -1.4260140000e+00 -1.6622850000e+00  1.1745420000e+00 -1.1240880000e+00 -1.1288520000e+00  2.6679660000e+00 -9.5771000000e-01 -1.3129670000e+00
-ENERGY -1.526604636591e+02
-FORCES -2.6239000000e-03 -1.7740000000e-04  3.3229000000e-03 -4.9270000000e-04  9.1700000000e-05 -4.7701000000e-03  5.6640000000e-03  4.1790000000e-04  1.1804000000e-03 -4.2201000000e-03  7.8314000000e-03  7.8732000000e-03  2.9506000000e-03 -6.1939000000e-03 -6.4438000000e-03 -1.2778000000e-03 -1.9696000000e-03 -1.1626000000e-03
-
-JOB 326
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0612100000e-01 -3.7617300000e-01 -3.5340400000e-01 -7.0017200000e-01 -5.2322900000e-01 -3.9015700000e-01  2.9682000000e-01  2.4763130000e+00 -5.8123000000e-01  1.0974650000e+00  2.7656280000e+00 -1.4362600000e-01  2.7719200000e-01  1.5291930000e+00 -4.4408400000e-01
-ENERGY -1.526552653559e+02
-FORCES -1.4018000000e-03  1.0823200000e-02 -4.9855000000e-03 -4.7369000000e-03  6.2138000000e-03  9.4150000000e-04  5.1059000000e-03  2.0003000000e-03  1.9117000000e-03 -3.9148000000e-03 -2.1368400000e-02  7.1330000000e-03 -1.6413000000e-03 -3.6039000000e-03 -1.0795000000e-03  6.5889000000e-03  5.9349000000e-03 -3.9212000000e-03
-
-JOB 327
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5316900000e-01  8.4759000000e-02  9.4105600000e-01  8.7360000000e-03 -9.4360100000e-01 -1.6053800000e-01 -2.0759970000e+00  1.4412630000e+00 -1.1445720000e+00 -1.2121030000e+00  1.1108580000e+00 -8.9809600000e-01 -2.1458720000e+00  2.2858210000e+00 -6.9952000000e-01
-ENERGY -1.526600367159e+02
-FORCES -4.7834000000e-03 -1.6146000000e-03  1.4111000000e-03 -3.4580000000e-04 -1.0157000000e-03 -4.2856000000e-03  7.2150000000e-04  4.2854000000e-03  1.9644000000e-03  9.7322000000e-03 -4.4248000000e-03  6.0634000000e-03 -6.2219000000e-03  5.7131000000e-03 -4.7713000000e-03  8.9750000000e-04 -2.9434000000e-03 -3.8210000000e-04
-
-JOB 328
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4577000000e-02 -9.1437700000e-01 -2.6683700000e-01  8.5047500000e-01  3.9515700000e-01 -1.9176800000e-01 -2.4590970000e+00  1.4767760000e+00 -8.1219100000e-01 -2.5842450000e+00  1.4927910000e+00 -1.7610400000e+00 -1.6267030000e+00  1.0209000000e+00 -6.8757500000e-01
-ENERGY -1.526611462551e+02
-FORCES  4.6599000000e-03 -3.1224000000e-03  8.1300000000e-05  1.1310000000e-04  4.8679000000e-03  7.2620000000e-04 -4.4002000000e-03 -2.4020000000e-03  2.3190000000e-04  7.0677000000e-03 -4.4056000000e-03  4.5400000000e-05  1.0908000000e-03 -5.1930000000e-04  3.0293000000e-03 -8.5313000000e-03  5.5812000000e-03 -4.1142000000e-03
-
-JOB 329
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3246700000e-01  4.5488400000e-01  1.2771500000e-01  6.6534800000e-01  6.7488100000e-01  1.3445900000e-01 -1.3271800000e-01 -3.5999700000e-01 -2.7468350000e+00 -3.5044000000e-02 -8.1500000000e-04 -1.8649730000e+00 -7.0061700000e-01  2.6417200000e-01 -3.1986490000e+00
-ENERGY -1.526576526064e+02
-FORCES -1.4438000000e-03  1.3650000000e-03  2.2766000000e-03  5.2936000000e-03 -1.6819000000e-03 -3.6147000000e-03 -4.6112000000e-03 -3.5257000000e-03 -3.9120000000e-03  1.0090000000e-04  1.8816000000e-03  1.2177500000e-02 -8.5520000000e-04  3.3495000000e-03 -1.0696000000e-02  1.5157000000e-03 -1.3885000000e-03  3.7685000000e-03
-
-JOB 330
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4879400000e-01 -4.9266200000e-01 -3.3589200000e-01  1.7045100000e-01  9.0450300000e-01 -2.6277900000e-01 -2.2512840000e+00 -1.0660680000e+00 -5.7841100000e-01 -3.0170590000e+00 -4.9820000000e-01 -4.9269800000e-01 -1.5169260000e+00 -5.2374400000e-01 -2.9060200000e-01
-ENERGY -1.526570639592e+02
-FORCES -9.9314000000e-03 -7.5930000000e-03 -6.6200000000e-03 -2.6365000000e-03  4.6217000000e-03  1.8100000000e-03 -1.5506000000e-03 -5.1725000000e-03  8.1160000000e-04  1.8376700000e-02  8.6613000000e-03  5.4749000000e-03  4.6013000000e-03  8.0630000000e-04  2.8890000000e-04 -8.8596000000e-03 -1.3239000000e-03 -1.7654000000e-03
-
-JOB 331
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3746500000e-01 -4.8766300000e-01 -3.6682800000e-01 -3.2356000000e-02  8.5007200000e-01 -4.3882000000e-01  2.6364000000e-02 -5.7894500000e-01  2.6570330000e+00 -2.4413300000e-01 -4.1044300000e-01  1.7544430000e+00 -7.7192400000e-01 -8.7278700000e-01  3.0959230000e+00
-ENERGY -1.526581743168e+02
-FORCES -3.2300000000e-05  2.6003000000e-03  5.4920000000e-04  3.0463000000e-03  3.0112000000e-03  5.3402000000e-03 -4.5370000000e-04 -5.0722000000e-03  9.9740000000e-04 -3.9740000000e-04  3.4763000000e-03 -1.1593000000e-02 -3.9613000000e-03 -5.1518000000e-03  8.6245000000e-03  1.7985000000e-03  1.1361000000e-03 -3.9183000000e-03
-
-JOB 332
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4491000000e-02 -8.9822000000e-01  3.2230900000e-01  8.5823000000e-01  2.9410400000e-01  3.0524800000e-01  2.4552410000e+00  1.1168800000e+00 -1.1804200000e-01  3.3809140000e+00  8.8530800000e-01 -1.9377500000e-01  2.3531310000e+00  1.8846410000e+00 -6.8048900000e-01
-ENERGY -1.526593659101e+02
-FORCES  1.2083000000e-02  2.6124000000e-03  4.5080000000e-04  1.7993000000e-03  2.7388000000e-03 -8.3690000000e-04 -8.3660000000e-03 -2.3944000000e-03  1.5689000000e-03 -3.9350000000e-03 -1.3275000000e-03 -3.5287000000e-03 -3.9384000000e-03  1.7875000000e-03 -5.9510000000e-04  2.3571000000e-03 -3.4168000000e-03  2.9408000000e-03
-
-JOB 333
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9347200000e-01 -2.7768900000e-01  2.0206200000e-01  4.2585000000e-02  9.5618800000e-01 -1.1095000000e-02  2.6329200000e-01 -1.1325600000e-01 -2.7110920000e+00  5.8984000000e-02 -1.4535900000e-01 -1.7765010000e+00 -5.2235500000e-01 -4.5207400000e-01 -3.1402710000e+00
-ENERGY -1.526607138793e+02
-FORCES  4.4592000000e-03  2.4608000000e-03 -1.3816000000e-03 -5.2138000000e-03  2.0457000000e-03 -2.7004000000e-03  6.6000000000e-06 -6.3001000000e-03 -2.2035000000e-03 -4.3596000000e-03 -1.7325000000e-03  1.4288300000e-02  3.3261000000e-03  2.4037000000e-03 -1.0618800000e-02  1.7816000000e-03  1.1224000000e-03  2.6159000000e-03
-
-JOB 334
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6566300000e-01  3.1466400000e-01 -8.6408400000e-01 -7.9745900000e-01 -3.7382400000e-01  3.7489700000e-01  1.7314620000e+00 -1.2244760000e+00  3.1588970000e+00  2.1246910000e+00 -1.8200890000e+00  3.7967440000e+00  1.8457630000e+00 -1.6650820000e+00  2.3168560000e+00
-ENERGY -1.526549766194e+02
-FORCES -4.9084000000e-03  7.7720000000e-04 -1.5965000000e-03  1.0623000000e-03 -1.3464000000e-03  3.6070000000e-03  3.4020000000e-03  1.0767000000e-03 -2.3102000000e-03  2.4281000000e-03 -3.5522000000e-03 -1.9522000000e-03 -1.6827000000e-03  2.4595000000e-03 -2.5805000000e-03 -3.0140000000e-04  5.8510000000e-04  4.8324000000e-03
-
-JOB 335
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9968000000e-02 -1.0142000000e-02 -9.5693800000e-01  1.9858700000e-01  9.0651200000e-01  2.3458900000e-01  1.5634630000e+00 -1.5741760000e+00  3.7231200000e+00  1.5924150000e+00 -1.6635170000e+00  2.7705380000e+00  8.1502200000e-01 -1.0006170000e+00  3.8877300000e+00
-ENERGY -1.526560522505e+02
-FORCES  3.9800000000e-04  3.9846000000e-03 -4.1306000000e-03 -5.1800000000e-05  2.3540000000e-04  4.0273000000e-03 -7.7390000000e-04 -4.0465000000e-03 -6.2190000000e-04 -3.5943000000e-03  1.7497000000e-03 -4.2200000000e-03  8.4390000000e-04  4.6000000000e-06  4.8756000000e-03  3.1781000000e-03 -1.9278000000e-03  6.9700000000e-05
-
-JOB 336
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3538100000e-01 -4.3700100000e-01  1.6553100000e-01  4.4983000000e-02  7.8726000000e-02 -9.5289600000e-01 -1.2023000000e-01  2.6694260000e+00  9.4401500000e-01 -9.5284600000e-01  3.0411140000e+00  6.5275700000e-01 -9.7766000000e-02  1.7957630000e+00  5.5357900000e-01
-ENERGY -1.526602623088e+02
-FORCES -2.4053000000e-03 -2.5858000000e-03 -1.6914000000e-03  4.0678000000e-03  3.3794000000e-03 -1.6987000000e-03 -1.4338000000e-03  1.3375000000e-03  5.8647000000e-03 -9.7680000000e-04 -1.1052100000e-02 -4.0948000000e-03  2.3351000000e-03 -2.4088000000e-03  2.9640000000e-04 -1.5870000000e-03  1.1329800000e-02  1.3239000000e-03
-
-JOB 337
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6691600000e-01 -5.5040500000e-01 -4.1049800000e-01  1.8315700000e-01  8.8156500000e-01 -3.2485300000e-01 -2.3704410000e+00 -9.4129100000e-01 -1.1762800000e+00 -2.5116940000e+00 -1.8085870000e+00 -7.9670400000e-01 -1.5590630000e+00 -6.3221900000e-01 -7.7332800000e-01
-ENERGY -1.526611492135e+02
-FORCES  2.2305000000e-03  1.9160000000e-03 -2.8733000000e-03 -5.0079000000e-03  2.5995000000e-03  1.5467000000e-03 -8.1340000000e-04 -5.3711000000e-03  1.1108000000e-03  1.0004300000e-02  2.8024000000e-03  7.9899000000e-03  1.5382000000e-03  2.3874000000e-03 -1.1132000000e-03 -7.9516000000e-03 -4.3341000000e-03 -6.6609000000e-03
-
-JOB 338
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3442000000e-02  4.8449800000e-01  8.2484900000e-01 -8.1444300000e-01  2.8615700000e-01 -4.1355600000e-01 -2.3557810000e+00  2.8904660000e+00 -3.3263100000e-01 -2.4524990000e+00  2.0841610000e+00 -8.3933600000e-01 -2.9763850000e+00  3.5004210000e+00 -7.3142400000e-01
-ENERGY -1.526536850689e+02
-FORCES -2.8049000000e-03  4.5256000000e-03  2.6447000000e-03  3.8070000000e-04 -3.1341000000e-03 -3.2964000000e-03  1.6748000000e-03 -1.2244000000e-03  1.9970000000e-04 -4.0384000000e-03  9.7470000000e-04 -4.5595000000e-03  2.0923000000e-03  1.5123000000e-03  3.2155000000e-03  2.6955000000e-03 -2.6540000000e-03  1.7961000000e-03
-
-JOB 339
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6933400000e-01 -3.8491700000e-01  5.6574100000e-01  4.2912000000e-02  9.1760900000e-01  2.6904400000e-01  2.5871520000e+00 -9.3082800000e-01  6.9808300000e-01  2.7979910000e+00 -9.5327100000e-01  1.6315040000e+00  1.7063710000e+00 -5.5800400000e-01  6.5989500000e-01
-ENERGY -1.526594759185e+02
-FORCES -3.9772000000e-03  1.5850000000e-03  4.5560000000e-04  4.8959000000e-03  2.4055000000e-03 -1.9390000000e-03  1.5189000000e-03 -6.3586000000e-03  2.7570000000e-04 -1.0002900000e-02  2.9340000000e-03 -1.5013000000e-03 -2.5179000000e-03  7.7970000000e-04 -3.0289000000e-03  1.0083100000e-02 -1.3456000000e-03  5.7380000000e-03
-
-JOB 340
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0534700000e-01  3.7904500000e-01 -5.2444500000e-01  2.2520800000e-01 -8.1291700000e-01 -4.5241400000e-01 -1.3965300000e-01 -4.7437400000e-01  2.7661950000e+00  3.1975000000e-02 -3.7351100000e-01  1.8299240000e+00 -1.1415900000e-01 -1.4196900000e+00  2.9143820000e+00
-ENERGY -1.526600156020e+02
-FORCES -4.1428000000e-03  5.9300000000e-05 -7.9230000000e-04  4.1139000000e-03 -2.7175000000e-03  8.1310000000e-04 -1.7715000000e-03  3.5142000000e-03  3.7547000000e-03  3.4900000000e-04  6.9120000000e-04 -1.1438600000e-02  1.3326000000e-03 -4.2446000000e-03  9.5947000000e-03  1.1890000000e-04  2.6973000000e-03 -1.9316000000e-03
-
-JOB 341
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8752100000e-01 -8.7574300000e-01  2.5814100000e-01  7.9521700000e-01  5.3198900000e-01  2.9162000000e-02  3.7888000000e-02 -2.6514850000e+00  7.3917000000e-01  5.8755000000e-02 -2.4839960000e+00  1.6813710000e+00  9.2405400000e-01 -2.9453130000e+00  5.2796800000e-01
-ENERGY -1.526575155005e+02
-FORCES  6.0980000000e-04 -1.1828600000e-02  2.1579000000e-03  4.2882000000e-03  1.0547200000e-02 -1.3960000000e-04 -1.8766000000e-03 -4.3265000000e-03  7.7780000000e-04  9.6600000000e-05 -1.1426000000e-03  2.8899000000e-03  1.4000000000e-03  1.1166000000e-03 -6.5391000000e-03 -4.5180000000e-03  5.6339000000e-03  8.5320000000e-04
-
-JOB 342
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2593000000e-01  2.5360900000e-01 -9.1436100000e-01 -1.5341700000e-01  8.0447700000e-01  4.9549100000e-01  2.3136580000e+00 -1.0100280000e+00  7.8976800000e-01  2.0584080000e+00 -1.0003540000e+00  1.7122570000e+00  1.5316800000e+00 -7.1797200000e-01  3.2131700000e-01
-ENERGY -1.526581676100e+02
-FORCES  7.4460000000e-03  8.8430000000e-04  2.9110000000e-03  1.8599000000e-03 -9.7270000000e-04  5.4081000000e-03  4.3150000000e-04 -4.3226000000e-03 -2.9512000000e-03 -1.8445400000e-02  6.3422000000e-03 -3.5333000000e-03  7.5180000000e-04  9.2300000000e-04 -1.8939000000e-03  7.9562000000e-03 -2.8542000000e-03  5.9300000000e-05
-
-JOB 343
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2232000000e-02 -2.8826200000e-01  9.1178600000e-01 -8.3543700000e-01  4.6236200000e-01 -6.7069000000e-02  1.9270300000e-01 -7.0819700000e-01  2.7943050000e+00 -5.5096600000e-01 -1.8090800000e-01  3.0861170000e+00  9.4381600000e-01 -3.4355400000e-01  3.2623830000e+00
-ENERGY -1.526601598729e+02
-FORCES -7.2190000000e-04 -2.8178000000e-03  1.0119800000e-02 -2.9467000000e-03  4.4473000000e-03 -9.7969000000e-03  2.4990000000e-03 -1.4186000000e-03  1.6795000000e-03  1.7745000000e-03  3.3571000000e-03  3.8257000000e-03  3.9540000000e-03 -1.9713000000e-03 -4.0238000000e-03 -4.5589000000e-03 -1.5967000000e-03 -1.8042000000e-03
-
-JOB 344
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0838900000e-01 -7.3154000000e-02 -9.0320400000e-01 -7.1364000000e-02 -9.0507700000e-01  3.0327400000e-01 -2.1269100000e-01 -2.5279100000e-01 -2.7728720000e+00 -3.8684000000e-02 -1.1935770000e+00 -2.8024490000e+00  5.6254400000e-01  1.4715900000e-01 -3.1669310000e+00
-ENERGY -1.526554104271e+02
-FORCES -2.3011000000e-03 -2.9341000000e-03 -1.2492600000e-02  5.2837000000e-03 -7.8350000000e-04  7.8103000000e-03  3.4190000000e-04  2.4865000000e-03 -2.1409000000e-03 -3.6000000000e-05 -2.0438000000e-03 -1.9168000000e-03  2.8780000000e-04  5.6765000000e-03  3.2152000000e-03 -3.5763000000e-03 -2.4016000000e-03  5.5249000000e-03
-
-JOB 345
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0043600000e-01 -2.9964600000e-01  4.3098200000e-01 -2.0609300000e-01  8.3118700000e-01  4.2765200000e-01  1.9535240000e+00 -1.4401590000e+00  9.1596700000e-01  1.7794660000e+00 -2.3813790000e+00  9.2229200000e-01  2.8050540000e+00 -1.3564520000e+00  4.8687300000e-01
-ENERGY -1.526587118163e+02
-FORCES  1.2831600000e-02 -9.6758000000e-03  6.9549000000e-03 -5.1482000000e-03  7.6291000000e-03 -2.9711000000e-03  3.0998000000e-03 -3.2536000000e-03  6.7400000000e-05 -9.3991000000e-03  1.7731000000e-03 -5.9046000000e-03  3.4753000000e-03  4.0576000000e-03 -6.4300000000e-05 -4.8594000000e-03 -5.3030000000e-04  1.9177000000e-03
-
-JOB 346
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5212700000e-01 -5.6166000000e-01  1.8728300000e-01  7.4474800000e-01 -4.5863500000e-01  3.8889000000e-01  2.4907950000e+00 -6.7781100000e-01  8.1173700000e-01  2.6980300000e+00 -5.9145700000e-01  1.7422360000e+00  2.3463360000e+00 -1.6153920000e+00  6.8404700000e-01
-ENERGY -1.526562682379e+02
-FORCES  1.1844500000e-02 -2.3236000000e-03  4.6850000000e-03  4.9341000000e-03  3.6540000000e-04  5.0830000000e-04 -9.8233000000e-03 -4.3049000000e-03 -2.8400000000e-03 -3.9710000000e-04  2.8930000000e-04  1.9594000000e-03 -1.7614000000e-03 -1.3216000000e-03 -5.2123000000e-03 -4.7969000000e-03  7.2955000000e-03  8.9950000000e-04
-
-JOB 347
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0833000000e-02  8.9412900000e-01 -3.3201000000e-01 -1.2613500000e-01  1.0466800000e-01  9.4306200000e-01  9.1623000000e-02  2.6405580000e+00 -1.0725090000e+00 -5.9949100000e-01  3.1998630000e+00 -7.1786800000e-01  9.0600100000e-01  3.0678060000e+00 -8.0702700000e-01
-ENERGY -1.526608032860e+02
-FORCES -1.8350000000e-04  1.1202800000e-02 -2.7023000000e-03  7.7470000000e-04 -9.7722000000e-03  5.5323000000e-03  3.4850000000e-04  7.3310000000e-04 -2.9831000000e-03 -3.9830000000e-04  3.6595000000e-03  1.2488000000e-03  4.3515000000e-03 -2.9316000000e-03 -9.1570000000e-04 -4.8929000000e-03 -2.8915000000e-03 -1.8000000000e-04
-
-JOB 348
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5924400000e-01  4.3569800000e-01 -8.3728200000e-01 -8.1715800000e-01  3.8347100000e-01  3.1848900000e-01  2.4257790000e+00  1.2766630000e+00  9.8658200000e-01  2.6208130000e+00  1.0497000000e+00  1.8958020000e+00  1.7672710000e+00  6.3703500000e-01  7.1551800000e-01
-ENERGY -1.526609017762e+02
-FORCES -3.9865000000e-03  5.0238000000e-03 -1.3159000000e-03  4.1110000000e-04 -2.1101000000e-03  5.4710000000e-03  3.2945000000e-03 -2.0975000000e-03 -2.2507000000e-03 -7.4666000000e-03 -6.3127000000e-03  6.1650000000e-04 -1.2385000000e-03  6.5370000000e-04 -2.7291000000e-03  8.9860000000e-03  4.8428000000e-03  2.0820000000e-04
-
-JOB 349
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5828200000e-01 -4.2578500000e-01 -3.9993400000e-01 -4.3348000000e-02  8.5827800000e-01 -4.2155900000e-01  2.2202130000e+00 -1.8075260000e+00 -6.6121000000e-01  2.1611090000e+00 -1.6054890000e+00 -1.5949760000e+00  3.0749870000e+00 -1.4681320000e+00 -3.9587000000e-01
-ENERGY -1.526581369026e+02
-FORCES  6.6687000000e-03 -3.7768000000e-03 -1.8994000000e-03 -7.1066000000e-03  7.7490000000e-03 -2.1533000000e-03  1.5853000000e-03 -3.7687000000e-03  7.2970000000e-04  5.6127000000e-03 -1.3128000000e-03 -1.2269000000e-03 -2.0034000000e-03  2.2930000000e-03  6.6342000000e-03 -4.7568000000e-03 -1.1837000000e-03 -2.0843000000e-03
-
-JOB 350
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3503000000e-02  9.4319100000e-01 -1.3371500000e-01 -3.3573000000e-02 -1.0543200000e-01  9.5078300000e-01  1.3589400000e-01  3.5452900000e-01  2.8285020000e+00  1.9054200000e-01  1.2979210000e+00  2.9810040000e+00  9.2160500000e-01 -1.5460000000e-03  3.2433530000e+00
-ENERGY -1.526600318949e+02
-FORCES  3.3250000000e-04  4.0233000000e-03  1.2197400000e-02 -1.7270000000e-04 -2.1349000000e-03  9.4000000000e-05 -2.9000000000e-06 -2.3713000000e-03 -9.2073000000e-03  3.3926000000e-03  2.7701000000e-03  4.4050000000e-04  3.8200000000e-04 -4.6425000000e-03 -1.1973000000e-03 -3.9314000000e-03  2.3553000000e-03 -2.3274000000e-03
-
-JOB 351
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9957300000e-01 -4.7356000000e-01 -4.5007900000e-01  1.6902800000e-01  7.6200100000e-01 -5.5409000000e-01  1.0898500000e-01  2.4168970000e+00 -1.3462430000e+00  4.6488000000e-02  2.4566670000e+00 -2.3005720000e+00 -6.5156300000e-01  2.9079090000e+00 -1.0352650000e+00
-ENERGY -1.526604660183e+02
-FORCES -3.6280000000e-04  1.0702500000e-02 -8.3884000000e-03  1.7474000000e-03  2.0710000000e-03  8.3010000000e-04 -6.3750000000e-04 -9.2090000000e-03  4.6564000000e-03 -3.5768000000e-03 -1.7930000000e-04  7.2760000000e-04 -8.2020000000e-04 -7.7460000000e-04  5.1887000000e-03  3.6499000000e-03 -2.6105000000e-03 -3.0144000000e-03
-
-JOB 352
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4831100000e-01 -1.3866000000e-02  9.2432800000e-01 -7.4777300000e-01  4.0058600000e-01 -4.4339400000e-01 -8.0709800000e-01 -1.6431500000e-01  2.5825130000e+00 -1.6985540000e+00  1.3663800000e-01  2.7584830000e+00 -6.8548000000e-01 -9.1057500000e-01  3.1694850000e+00
-ENERGY -1.526596583745e+02
-FORCES -5.8313000000e-03 -3.8520000000e-04  1.3867000000e-02  2.1768000000e-03  1.6536000000e-03 -8.9698000000e-03  1.3152000000e-03 -9.8010000000e-04  2.3582000000e-03  5.9700000000e-05 -2.4518000000e-03 -4.3231000000e-03  4.3666000000e-03 -2.1363000000e-03 -1.0360000000e-03 -2.0870000000e-03  4.2998000000e-03 -1.8963000000e-03
-
-JOB 353
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7520000000e-02  2.4107600000e-01  9.2558400000e-01 -8.2948400000e-01  3.6398300000e-01 -3.0936200000e-01 -5.0916300000e-01 -1.2235900000e-01  2.8153810000e+00 -4.7077400000e-01 -1.0539120000e+00  3.0321000000e+00  1.8622900000e-01  2.7486400000e-01  3.3396660000e+00
-ENERGY -1.526601015580e+02
-FORCES -5.3129000000e-03  1.3117000000e-03  1.0520800000e-02  4.3889000000e-03  2.0188000000e-03 -8.2636000000e-03  2.5324000000e-03 -1.2018000000e-03  5.4470000000e-04  1.0286000000e-03 -5.2891000000e-03  1.6674000000e-03  8.7600000000e-05  5.0880000000e-03  3.2840000000e-04 -2.7245000000e-03 -1.9276000000e-03 -4.7976000000e-03
-
-JOB 354
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9078700000e-01 -4.5482100000e-01 -4.8185400000e-01  3.5070000000e-02  9.0041400000e-01 -3.2288800000e-01  6.8752000000e-02  2.6087420000e+00 -5.6161600000e-01  7.8918000000e-02  2.6577060000e+00 -1.5175080000e+00  6.8022000000e-01  3.2891830000e+00 -2.7994300000e-01
-ENERGY -1.526580231022e+02
-FORCES  2.3081000000e-03  1.5370100000e-02 -2.4994000000e-03 -1.8039000000e-03  3.0810000000e-03  5.0040000000e-04 -1.4024000000e-03 -9.3603000000e-03 -3.3913000000e-03  2.9314000000e-03 -3.7462000000e-03  2.7797000000e-03  1.3236000000e-03 -2.9524000000e-03  5.9680000000e-03 -3.3568000000e-03 -2.3922000000e-03 -3.3574000000e-03
-
-JOB 355
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4030000000e-02 -1.8231000000e-01 -9.3957300000e-01 -6.4378900000e-01 -6.0332500000e-01  3.7116800000e-01 -1.7086800000e-01  2.6248540000e+00  1.1513640000e+00 -1.0257690000e+00  2.8267080000e+00  7.7106000000e-01  5.5413000000e-02  1.7672160000e+00  7.9152200000e-01
-ENERGY -1.526610371229e+02
-FORCES -2.3877000000e-03 -1.5345000000e-03 -1.3420000000e-03 -9.6860000000e-04  2.5680000000e-04  4.7449000000e-03  2.7812000000e-03  2.9580000000e-03 -2.9106000000e-03 -1.4059000000e-03 -9.8095000000e-03 -6.2130000000e-03  2.0592000000e-03 -2.5090000000e-04  1.2365000000e-03 -7.8200000000e-05  8.3802000000e-03  4.4842000000e-03
-
-JOB 356
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2564000000e-02 -1.3891800000e-01  9.4560600000e-01  9.3030000000e-03 -8.8191900000e-01 -3.7197400000e-01  2.5336880000e+00  1.0823090000e+00 -7.8206900000e-01  2.3279470000e+00  1.9897880000e+00 -5.5760400000e-01  1.8205880000e+00  5.7242700000e-01 -3.9769800000e-01
-ENERGY -1.526601040876e+02
-FORCES -2.2639000000e-03 -3.4369000000e-03  7.9550000000e-04  1.8383000000e-03  1.0541000000e-03 -5.3937000000e-03  1.6634000000e-03  5.1607000000e-03  2.7200000000e-03 -1.2425000000e-02 -8.4880000000e-04  3.6229000000e-03  1.3568000000e-03 -2.3138000000e-03 -2.7840000000e-04  9.8303000000e-03  3.8460000000e-04 -1.4664000000e-03
-
-JOB 357
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8880300000e-01 -9.3463800000e-01 -8.3888000000e-02  3.3212500000e-01  9.8601000000e-02  8.9230200000e-01 -2.0603180000e+00  1.4233040000e+00 -7.7441300000e-01 -1.3650700000e+00  9.2430900000e-01 -3.4561700000e-01 -1.8750120000e+00  1.3381890000e+00 -1.7096400000e+00
-ENERGY -1.526584486434e+02
-FORCES -7.1077000000e-03  2.7674000000e-03 -1.1891000000e-03  8.5270000000e-04  5.6640000000e-03  8.3390000000e-04 -3.1294000000e-03 -1.1249000000e-03 -4.9535000000e-03  1.7766800000e-02 -1.0478200000e-02  3.6837000000e-03 -7.6118000000e-03  3.7600000000e-03 -4.6200000000e-04 -7.7060000000e-04 -5.8830000000e-04  2.0871000000e-03
-
-JOB 358
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1937700000e-01  1.3282300000e-01 -9.4039300000e-01  2.0429000000e-01  8.4982900000e-01  3.9024100000e-01 -2.1249660000e+00 -1.5740460000e+00  8.1568900000e-01 -2.8232920000e+00 -9.4655800000e-01  6.2906000000e-01 -1.3219090000e+00 -1.1248650000e+00  5.5193200000e-01
-ENERGY -1.526606027693e+02
-FORCES -2.3703000000e-03  8.7050000000e-04  1.9630000000e-04 -8.0090000000e-04  4.9280000000e-04  5.0669000000e-03 -9.1670000000e-04 -3.5468000000e-03 -3.4302000000e-03  8.9055000000e-03  9.8567000000e-03 -4.3212000000e-03  1.6671000000e-03 -1.5196000000e-03  4.4520000000e-04 -6.4846000000e-03 -6.1536000000e-03  2.0430000000e-03
-
-JOB 359
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5995400000e-01  3.3078200000e-01  2.5941200000e-01 -6.2151000000e-01  5.2960000000e-01  4.9948100000e-01  2.3738400000e-01 -2.8384300000e+00  5.7050700000e-01 -4.2504600000e-01 -3.3766630000e+00  1.3723700000e-01 -6.5973000000e-02 -1.9389890000e+00  4.4716600000e-01
-ENERGY -1.526615678377e+02
-FORCES  3.1594000000e-03  4.1531000000e-03  2.0240000000e-03 -5.1081000000e-03 -1.0252000000e-03 -8.3000000000e-04  3.1631000000e-03 -3.4352000000e-03 -2.1055000000e-03 -3.0815000000e-03  8.2704000000e-03 -3.9422000000e-03  1.5607000000e-03  2.4342000000e-03  1.3684000000e-03  3.0650000000e-04 -1.0397200000e-02  3.4853000000e-03
-
-JOB 360
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8035600000e-01 -3.4026500000e-01  4.3760300000e-01  2.0040300000e-01 -6.6032000000e-02 -9.3365400000e-01  1.9447650000e+00 -1.4076460000e+00  1.3042260000e+00  1.8840960000e+00 -1.4821310000e+00  2.2565930000e+00  2.8604790000e+00 -1.1832170000e+00  1.1389080000e+00
-ENERGY -1.526600430337e+02
-FORCES  1.0448400000e-02 -8.5724000000e-03  4.8661000000e-03 -5.6452000000e-03  6.8348000000e-03 -5.1576000000e-03  6.7430000000e-04  2.8800000000e-05  2.9411000000e-03 -1.6129000000e-03  1.5886000000e-03  1.8804000000e-03  1.6366000000e-03  5.5400000000e-04 -5.0803000000e-03 -5.5012000000e-03 -4.3370000000e-04  5.5030000000e-04
-
-JOB 361
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5192000000e-02 -4.4366000000e-02 -9.5394600000e-01  6.9948000000e-02  9.3298300000e-01  2.0219500000e-01  2.0270330000e+00 -1.1726660000e+00  1.3091580000e+00  1.2908820000e+00 -6.8761700000e-01  9.3627500000e-01  2.0280210000e+00 -2.0063370000e+00  8.3881400000e-01
-ENERGY -1.526588634485e+02
-FORCES  6.4044000000e-03 -1.0645000000e-03 -6.4170000000e-04 -5.8070000000e-04  7.1380000000e-04  5.0383000000e-03  1.3280000000e-03 -6.1772000000e-03 -8.4110000000e-04 -1.4711000000e-02  4.6085000000e-03 -1.0074200000e-02  7.3727000000e-03 -3.0450000000e-04  6.0343000000e-03  1.8660000000e-04  2.2238000000e-03  4.8430000000e-04
-
-JOB 362
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2622600000e-01  3.0721900000e-01  5.4262700000e-01  6.3208200000e-01  7.1864900000e-01  1.5731000000e-02 -2.8116400000e-01  4.9747600000e-01 -2.7764080000e+00 -2.4547600000e-01  3.1483500000e-01 -1.8374720000e+00 -2.2099900000e-01 -3.6328200000e-01 -3.1907840000e+00
-ENERGY -1.526611853176e+02
-FORCES -4.0950000000e-04  3.3859000000e-03  2.9194000000e-03  4.1665000000e-03 -1.0448000000e-03 -3.1439000000e-03 -5.2423000000e-03 -3.9443000000e-03 -2.6674000000e-03  2.0010000000e-04 -6.3231000000e-03  1.0706100000e-02  1.4917000000e-03  5.4705000000e-03 -9.2062000000e-03 -2.0650000000e-04  2.4557000000e-03  1.3921000000e-03
-
-JOB 363
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8614100000e-01  5.8007100000e-01  3.3009000000e-01  8.1139600000e-01  3.5988300000e-01  3.5826200000e-01  2.4563240000e+00  1.1387600000e+00  1.2057130000e+00  2.9932110000e+00  5.5917300000e-01  6.6528400000e-01  2.5609940000e+00  2.0030420000e+00  8.0785400000e-01
-ENERGY -1.526604430263e+02
-FORCES  5.4950000000e-03  5.8550000000e-03  7.0891000000e-03  2.0526000000e-03 -1.4253000000e-03 -1.4524000000e-03 -5.8662000000e-03 -4.8198000000e-03 -7.1907000000e-03  5.4703000000e-03  2.3211000000e-03 -2.0243000000e-03 -5.6496000000e-03  3.0480000000e-03  1.9565000000e-03 -1.5020000000e-03 -4.9791000000e-03  1.6218000000e-03
-
-JOB 364
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1926900000e-01 -5.1858300000e-01 -3.6049300000e-01 -2.0984100000e-01  9.0207900000e-01 -2.4176700000e-01 -7.4285000000e-01 -3.9927600000e-01  2.9859520000e+00 -5.3585600000e-01 -3.3660300000e-01  2.0535050000e+00 -3.2755000000e-02 -9.2470400000e-01  3.3546290000e+00
-ENERGY -1.526612231531e+02
-FORCES -2.3537000000e-03  3.1227000000e-03 -6.0694000000e-03  3.4046000000e-03  2.7681000000e-03  3.6937000000e-03  6.0790000000e-04 -4.8767000000e-03  1.0763000000e-03  5.5666000000e-03 -4.5940000000e-04 -6.4216000000e-03 -4.7561000000e-03 -2.0904000000e-03  8.8216000000e-03 -2.4693000000e-03  1.5356000000e-03 -1.1005000000e-03
-
-JOB 365
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3794400000e-01 -2.0576600000e-01 -9.2458800000e-01  6.6288500000e-01 -5.1352500000e-01  4.6163500000e-01 -6.4264500000e-01  2.7081390000e+00  5.6773300000e-01 -9.7482200000e-01  2.6596760000e+00  1.4641380000e+00 -4.5969000000e-01  1.7991280000e+00  3.3012300000e-01
-ENERGY -1.526614999377e+02
-FORCES  3.2523000000e-03 -2.7250000000e-04 -5.3030000000e-04 -4.0400000000e-05  8.7850000000e-04  5.0159000000e-03 -3.2671000000e-03  1.4970000000e-03 -3.0382000000e-03  1.4152000000e-03 -1.1721700000e-02  4.1240000000e-04  1.3660000000e-03 -4.0300000000e-05 -2.2605000000e-03 -2.7260000000e-03  9.6590000000e-03  4.0070000000e-04
-
-JOB 366
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7205600000e-01  5.0508400000e-01 -4.5767100000e-01 -7.8337600000e-01  5.4834500000e-01 -4.3256000000e-02  2.2298700000e-01  8.3595500000e-01  2.8408920000e+00  3.9480500000e-01  6.4489100000e-01  1.9188260000e+00  1.0788730000e+00  1.0675530000e+00  3.2015200000e+00
-ENERGY -1.526597309090e+02
-FORCES -3.3004000000e-03  2.2878000000e-03 -5.4392000000e-03 -2.9023000000e-03 -1.8914000000e-03  4.8934000000e-03  5.5680000000e-03 -2.3736000000e-03  1.2763000000e-03  2.6376000000e-03 -3.6491000000e-03 -6.8827000000e-03  5.6570000000e-04  6.4750000000e-03  8.6981000000e-03 -2.5686000000e-03 -8.4870000000e-04 -2.5459000000e-03
-
-JOB 367
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5149300000e-01 -5.7887000000e-01 -1.2806200000e-01 -3.2114400000e-01  8.6788100000e-01 -2.4470400000e-01 -2.3572700000e+00 -1.5150250000e+00 -4.2183800000e-01 -2.1676590000e+00 -1.5365970000e+00 -1.3598220000e+00 -2.2769430000e+00 -2.4261790000e+00 -1.3974200000e-01
-ENERGY -1.526601663256e+02
-FORCES -1.2350200000e-02 -3.7683000000e-03 -7.5000000000e-06  9.7004000000e-03  3.7625000000e-03 -2.7324000000e-03  8.3990000000e-04 -2.8817000000e-03 -1.4200000000e-04 -1.2480000000e-04 -3.9190000000e-03 -1.6547000000e-03  1.5882000000e-03  1.6702000000e-03  6.6641000000e-03  3.4660000000e-04  5.1363000000e-03 -2.1276000000e-03
-
-JOB 368
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7397200000e-01  3.7236600000e-01  1.1725600000e-01 -1.4536800000e-01 -9.4521200000e-01 -4.0924000000e-02 -2.2416180000e+00  1.3118420000e+00  4.4981200000e-01 -2.5505160000e+00  1.5540940000e+00  1.3228120000e+00 -2.1227870000e+00  2.1467710000e+00 -2.9630000000e-03
-ENERGY -1.526598251163e+02
-FORCES -1.5739500000e-02  6.7468000000e-03  3.4368000000e-03  8.1203000000e-03 -3.7397000000e-03 -4.1090000000e-03 -1.3098000000e-03  3.0656000000e-03  8.8790000000e-04  8.5554000000e-03 -1.6572000000e-03  1.3992000000e-03  7.7590000000e-04  1.8780000000e-04 -4.9817000000e-03 -4.0220000000e-04 -4.6034000000e-03  3.3668000000e-03
-
-JOB 369
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7743000000e-02 -1.2344700000e-01  9.4744800000e-01 -7.3982400000e-01 -4.9494000000e-01 -3.5203400000e-01 -1.8961250000e+00 -1.4594590000e+00 -1.1608100000e+00 -2.1046940000e+00 -1.5359190000e+00 -2.0918760000e+00 -1.9294650000e+00 -2.3580940000e+00 -8.3282100000e-01
-ENERGY -1.526592402811e+02
-FORCES -1.2265300000e-02 -8.1242000000e-03 -6.3852000000e-03 -1.0436000000e-03 -1.4338000000e-03 -3.1674000000e-03  6.0108000000e-03  3.6735000000e-03  6.1790000000e-03  7.0037000000e-03  2.8254000000e-03  3.1690000000e-04  2.0780000000e-04 -1.7170000000e-03  4.8896000000e-03  8.6500000000e-05  4.7762000000e-03 -1.8329000000e-03
-
-JOB 370
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2111000000e-02 -5.2950000000e-02  9.5519500000e-01 -7.8278100000e-01  4.9620600000e-01 -2.3930000000e-01  2.3216210000e+00  1.2455110000e+00 -9.2001700000e-01  1.5361040000e+00  7.4414400000e-01 -7.0132800000e-01  2.1584080000e+00  2.1168700000e+00 -5.5900900000e-01
-ENERGY -1.526604515909e+02
-FORCES -1.6510000000e-04  2.3549000000e-03  2.2804000000e-03 -7.0330000000e-04  1.2246000000e-03 -5.0717000000e-03  4.7115000000e-03 -1.7070000000e-03  2.0404000000e-03 -1.1927800000e-02 -4.3174000000e-03  5.4394000000e-03  8.0645000000e-03  4.8024000000e-03 -3.9113000000e-03  2.0300000000e-05 -2.3574000000e-03 -7.7730000000e-04
-
-JOB 371
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1940500000e-01 -3.4512500000e-01 -3.5453700000e-01 -2.1846000000e-02  9.1187800000e-01 -2.9023000000e-01  2.1635340000e+00 -1.3855910000e+00 -1.4701580000e+00  3.0058800000e+00 -1.1492240000e+00 -1.0818080000e+00  2.0784650000e+00 -2.3246910000e+00 -1.3055780000e+00
-ENERGY -1.526608716609e+02
-FORCES  6.6640000000e-03 -1.7472000000e-03 -6.7590000000e-03 -5.9424000000e-03  5.2661000000e-03  7.2415000000e-03  7.0560000000e-04 -2.8425000000e-03  9.8450000000e-04  2.9550000000e-03 -5.3855000000e-03 -1.1410000000e-04 -5.6043000000e-03 -3.3830000000e-04 -8.9250000000e-04  1.2220000000e-03  5.0474000000e-03 -4.6030000000e-04
-
-JOB 372
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4789700000e-01 -1.5008500000e-01 -7.7039900000e-01  8.3552000000e-01 -4.1447400000e-01 -2.1528700000e-01 -2.3045400000e-01 -2.9298700000e-01 -2.8404730000e+00 -8.0892200000e-01  2.7872600000e-01 -3.3452020000e+00 -2.3876000000e-01 -1.1234100000e+00 -3.3164570000e+00
-ENERGY -1.526589153513e+02
-FORCES  1.9953000000e-03 -2.4054000000e-03 -1.2625400000e-02 -2.1738000000e-03  1.1175000000e-03  7.2235000000e-03 -1.4621000000e-03  4.5800000000e-04  2.8870000000e-03 -7.9940000000e-04  1.3850000000e-04 -3.2242000000e-03  2.2583000000e-03 -3.5394000000e-03  3.0226000000e-03  1.8170000000e-04  4.2307000000e-03  2.7164000000e-03
-
-JOB 373
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8498000000e-02  9.4913700000e-01  1.2065700000e-01 -7.5773800000e-01 -3.2646600000e-01  4.8526900000e-01 -1.9625100000e-01  2.7102890000e+00  6.4291200000e-01  7.0596000000e-01  3.0296120000e+00  6.2615800000e-01 -2.8837000000e-01  2.2961960000e+00  1.5009750000e+00
-ENERGY -1.526580335869e+02
-FORCES -4.2590000000e-03  1.2888100000e-02  8.7380000000e-04  2.5067000000e-03 -9.8708000000e-03  3.6306000000e-03  2.7995000000e-03  2.2958000000e-03 -1.6270000000e-04  3.5773000000e-03 -1.1100000000e-04  3.5533000000e-03 -5.0946000000e-03 -3.2762000000e-03 -1.2470000000e-04  4.7020000000e-04 -1.9259000000e-03 -7.7702000000e-03
-
-JOB 374
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5103000000e-02  3.2573700000e-01  8.9894000000e-01 -8.5253400000e-01 -4.0843900000e-01 -1.5031500000e-01  7.8045000000e-02  4.5413800000e-01 -3.9055230000e+00 -5.8384000000e-02  1.3607710000e+00 -3.6305050000e+00 -7.7704100000e-01  3.8475000000e-02 -3.7946930000e+00
-ENERGY -1.526532924166e+02
-FORCES -3.2366000000e-03 -1.0391000000e-03  3.3339000000e-03  2.3800000000e-04 -1.2026000000e-03 -3.9801000000e-03  3.1746000000e-03  2.0424000000e-03  2.7710000000e-04 -3.3012000000e-03  2.1671000000e-03  3.1430000000e-03  1.3750000000e-04 -3.3781000000e-03 -2.1564000000e-03  2.9876000000e-03  1.4103000000e-03 -6.1750000000e-04
-
-JOB 375
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8962000000e-02  6.3971000000e-02 -9.5323800000e-01 -5.1928000000e-02 -9.3845400000e-01  1.8121800000e-01  2.3303480000e+00  1.1685340000e+00  7.6022600000e-01  1.4945320000e+00  7.7831000000e-01  5.0455400000e-01  2.2691170000e+00  2.0785840000e+00  4.6989600000e-01
-ENERGY -1.526604499609e+02
-FORCES  4.3781000000e-03 -1.6480000000e-03 -7.5530000000e-04  1.0585000000e-03 -1.5660000000e-04  5.4041000000e-03  2.6540000000e-04  5.0313000000e-03 -2.0260000000e-03 -1.4452800000e-02 -4.7184000000e-03 -3.7376000000e-03  9.6110000000e-03  4.5395000000e-03  1.4342000000e-03 -8.6020000000e-04 -3.0477000000e-03 -3.1940000000e-04
-
-JOB 376
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9229500000e-01 -8.6558300000e-01  3.6058400000e-01  6.9371000000e-02 -1.1405300000e-01 -9.4784600000e-01 -2.6524100000e-01  2.2453400000e-01 -2.7836920000e+00 -9.3382500000e-01  6.0942300000e-01 -3.3503380000e+00 -1.9692700000e-01 -6.8430700000e-01 -3.0762220000e+00
-ENERGY -1.526580864866e+02
-FORCES -7.7890000000e-04  5.9970000000e-04 -9.5322000000e-03 -8.4080000000e-04  2.3523000000e-03 -3.3341000000e-03  2.8577000000e-03 -5.5839000000e-03  7.9550000000e-03 -4.7994000000e-03  1.3306000000e-03 -4.3960000000e-04  3.6706000000e-03 -2.9600000000e-03  7.9320000000e-04 -1.0920000000e-04  4.2614000000e-03  4.5577000000e-03
-
-JOB 377
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1319300000e-01  7.1012800000e-01 -3.8546500000e-01 -8.8162200000e-01  1.2252900000e-01 -3.5208100000e-01  4.1385500000e-01 -2.8770320000e+00 -1.1431980000e+00  4.4095700000e-01 -2.0421440000e+00 -6.7580200000e-01 -3.4368800000e-01 -3.3329210000e+00 -7.7641900000e-01
-ENERGY -1.526608285513e+02
-FORCES -1.7352000000e-03  6.1173000000e-03 -2.9567000000e-03 -2.9140000000e-03 -3.1722000000e-03  1.7578000000e-03  4.3956000000e-03 -1.2306000000e-03  1.7396000000e-03 -2.1340000000e-03  5.3915000000e-03  5.3286000000e-03  3.6090000000e-04 -8.9393000000e-03 -4.3244000000e-03  2.0268000000e-03  1.8333000000e-03 -1.5449000000e-03
-
-JOB 378
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1811300000e-01  4.1133000000e-01 -2.7880300000e-01 -1.3392400000e-01 -9.3400100000e-01 -1.6105300000e-01  2.5643690000e+00  1.1713290000e+00 -3.7314500000e-01  2.7390780000e+00  1.3213740000e+00 -1.3022270000e+00  1.7734300000e+00  6.3233400000e-01 -3.6167300000e-01
-ENERGY -1.526606852979e+02
-FORCES -3.2736000000e-03  8.0880000000e-04 -8.1630000000e-04  3.2951000000e-03 -3.4233000000e-03  1.0919000000e-03  9.7520000000e-04  5.1879000000e-03 -7.0300000000e-05 -9.6438000000e-03 -3.9960000000e-03 -8.3740000000e-04 -1.3935000000e-03 -7.4990000000e-04  2.7096000000e-03  1.0040600000e-02  2.1724000000e-03 -2.0775000000e-03
-
-JOB 379
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6785000000e-02  4.4647000000e-02 -9.5501300000e-01  7.0672100000e-01 -6.2087600000e-01  1.7688900000e-01  1.5812470000e+00 -1.8068230000e+00  3.3408110000e+00  1.6664310000e+00 -1.6384150000e+00  2.4024000000e+00  1.7356590000e+00 -2.7471840000e+00  3.4308620000e+00
-ENERGY -1.526519260321e+02
-FORCES  2.2839000000e-03 -1.9178000000e-03 -3.9999000000e-03  8.5100000000e-05 -1.5850000000e-04  4.2315000000e-03 -2.0973000000e-03  1.7905000000e-03  8.0730000000e-04  6.1190000000e-04 -3.1956000000e-03 -2.9259000000e-03 -2.9050000000e-04 -6.3290000000e-04  2.3415000000e-03 -5.9310000000e-04  4.1142000000e-03 -4.5460000000e-04
-
-JOB 380
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9475100000e-01 -9.0613200000e-01 -2.3922500000e-01 -8.4136400000e-01  4.5168800000e-01 -6.5698000000e-02 -2.2567170000e+00  1.2488680000e+00 -8.1111600000e-01 -1.9728370000e+00  1.1053030000e+00 -1.7139080000e+00 -2.1763230000e+00  2.1938610000e+00 -6.8166200000e-01
-ENERGY -1.526596599553e+02
-FORCES -1.5366400000e-02  4.9524000000e-03 -2.7366000000e-03 -2.1100000000e-05  3.1680000000e-03 -6.2420000000e-04  9.5853000000e-03 -3.4264000000e-03  1.0661000000e-03  5.9972000000e-03  7.1430000000e-04 -2.7802000000e-03 -9.6150000000e-04  1.6800000000e-04  5.7929000000e-03  7.6640000000e-04 -5.5763000000e-03 -7.1790000000e-04
-
-JOB 381
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4427200000e-01 -2.9682800000e-01 -3.3960200000e-01 -6.3750600000e-01 -6.0436600000e-01 -3.8021000000e-01 -1.6599900000e-01 -1.0228500000e-01  3.0560170000e+00  7.5994200000e-01  2.8726000000e-02  3.2602270000e+00 -2.0591300000e-01 -8.3167000000e-02  2.0998400000e+00
-ENERGY -1.526609398022e+02
-FORCES  1.2004000000e-03 -3.3858000000e-03 -5.3400000000e-03 -4.1658000000e-03  1.2215000000e-03  1.8541000000e-03  3.5730000000e-03  2.8001000000e-03  2.4191000000e-03  3.3797000000e-03  1.7013000000e-03 -8.3743000000e-03 -2.6115000000e-03 -6.9800000000e-04 -5.0480000000e-04 -1.3758000000e-03 -1.6390000000e-03  9.9459000000e-03
-
-JOB 382
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8087000000e-02  9.1649000000e-02  9.5158800000e-01  6.8966600000e-01  5.7498900000e-01 -3.3163200000e-01  2.3313070000e+00  1.4298470000e+00 -7.3107400000e-01  2.3429660000e+00  1.4909350000e+00 -1.6862520000e+00  2.2360320000e+00  2.3347360000e+00 -4.3387000000e-01
-ENERGY -1.526602126895e+02
-FORCES  1.1975400000e-02  5.8808000000e-03 -1.0900000000e-04 -3.5970000000e-04  3.8340000000e-04 -2.6259000000e-03 -1.0070400000e-02 -3.0900000000e-03  6.8610000000e-04  9.4360000000e-04  2.5642000000e-03 -2.3535000000e-03 -1.5429000000e-03 -1.5910000000e-04  5.7636000000e-03 -9.4600000000e-04 -5.5793000000e-03 -1.3613000000e-03
-
-JOB 383
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3681200000e-01 -3.3187500000e-01  8.6603200000e-01  8.2188400000e-01  3.2916900000e-01 -3.6384900000e-01 -2.0166560000e+00  7.7490300000e-01 -1.6242090000e+00 -1.8451170000e+00  7.5955400000e-01 -2.5657880000e+00 -1.1709660000e+00  5.7490400000e-01 -1.2229110000e+00
-ENERGY -1.526572309878e+02
-FORCES -3.9815000000e-03  3.3520000000e-04  1.3941000000e-03  1.4146000000e-03  1.7457000000e-03 -4.3087000000e-03 -6.0756000000e-03 -1.2979000000e-03  1.6430000000e-04  8.0911000000e-03 -4.7221000000e-03  6.9726000000e-03  1.6434000000e-03 -2.4670000000e-04  3.8375000000e-03 -1.0919000000e-03  4.1859000000e-03 -8.0599000000e-03
-
-JOB 384
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8746300000e-01 -2.7685500000e-01 -4.6849300000e-01  9.0146000000e-02  9.2942100000e-01 -2.1043200000e-01  5.8990800000e-01  2.6565810000e+00 -9.5138200000e-01  5.7623600000e-01  2.2693210000e+00 -1.8266380000e+00 -2.9139300000e-01  3.0104520000e+00 -8.3173100000e-01
-ENERGY -1.526582071289e+02
-FORCES  1.1304000000e-03  9.6736000000e-03 -2.8797000000e-03  2.9417000000e-03  2.6310000000e-03  6.0840000000e-04 -5.5980000000e-03 -9.3599000000e-03  5.3480000000e-04 -1.0713000000e-03  2.1721000000e-03 -4.8704000000e-03 -1.6996000000e-03  4.1400000000e-04  6.4299000000e-03  4.2969000000e-03 -5.5308000000e-03  1.7710000000e-04
-
-JOB 385
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6824500000e-01  5.6964400000e-01 -3.9202000000e-02  7.4536500000e-01  5.9928500000e-01 -3.8983000000e-02 -4.9579000000e-02 -2.6253160000e+00  1.0220010000e+00  7.4620000000e-03 -1.7741890000e+00  5.8776500000e-01  7.7854800000e-01 -3.0574060000e+00  8.1287300000e-01
-ENERGY -1.526611300403e+02
-FORCES -7.0120000000e-04  9.7020000000e-04  1.9192000000e-03  4.6442000000e-03 -1.3286000000e-03 -1.2070000000e-04 -4.0635000000e-03 -1.9883000000e-03 -2.3930000000e-04  2.1340000000e-03  9.5798000000e-03 -4.9184000000e-03 -4.9100000000e-05 -9.4265000000e-03  2.9073000000e-03 -1.9644000000e-03  2.1933000000e-03  4.5180000000e-04
-
-JOB 386
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4371500000e-01 -8.4700700000e-01 -4.2208600000e-01  7.8693900000e-01  5.0579500000e-01 -2.0280500000e-01  1.9421700000e-01  3.3916300000e-01  2.8189330000e+00  2.8255400000e-01  3.9431800000e-01  1.8674160000e+00  1.0337730000e+00  6.5140700000e-01  3.1563960000e+00
-ENERGY -1.526578807853e+02
-FORCES  1.6951000000e-03 -4.5413000000e-03 -2.1923000000e-03 -1.5540000000e-04  4.9593000000e-03  7.8560000000e-04 -3.7917000000e-03 -2.7649000000e-03  5.6946000000e-03 -1.6390000000e-04 -1.2974000000e-03 -9.3023000000e-03  4.8380000000e-03  4.7437000000e-03  8.2655000000e-03 -2.4221000000e-03 -1.0993000000e-03 -3.2512000000e-03
-
-JOB 387
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9675900000e-01  5.0145100000e-01  4.2344600000e-01  8.0307000000e-01  2.9558800000e-01  4.2888000000e-01 -2.2527800000e-01 -6.4815500000e-01 -2.6932940000e+00 -8.7755000000e-02 -5.3952100000e-01 -1.7522740000e+00 -1.0862570000e+00 -2.6285800000e-01 -2.8560610000e+00
-ENERGY -1.526602629296e+02
-FORCES  1.1210000000e-04  2.3178000000e-03 -2.0121000000e-03  3.9140000000e-03 -1.9052000000e-03 -1.6268000000e-03 -4.7223000000e-03 -8.5520000000e-04 -1.2005000000e-03 -1.1550000000e-03  4.2121000000e-03  1.2752600000e-02 -1.8320000000e-04 -2.9105000000e-03 -8.6508000000e-03  2.0344000000e-03 -8.5890000000e-04  7.3760000000e-04
-
-JOB 388
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4341800000e-01  8.1431000000e-02  1.3986800000e-01 -2.0308100000e-01 -9.0085400000e-01  2.5189600000e-01 -2.3417100000e+00  1.0646470000e+00  6.9224400000e-01 -2.4234310000e+00  9.4154700000e-01  1.6379710000e+00 -1.4067000000e+00  9.5938200000e-01  5.1643800000e-01
-ENERGY -1.526592262753e+02
-FORCES -4.8563000000e-03 -1.1360000000e-03  2.1295000000e-03 -5.1264000000e-03 -1.4279000000e-03  6.5500000000e-05  2.7007000000e-03  4.9515000000e-03 -2.3940000000e-04  1.4176000000e-02 -4.0456000000e-03 -1.8771000000e-03  1.2242000000e-03 -8.0630000000e-04 -2.9245000000e-03 -8.1183000000e-03  2.4643000000e-03  2.8460000000e-03
-
-JOB 389
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3540000000e-03 -3.4634400000e-01 -8.9233300000e-01 -6.6267000000e-01 -5.1909400000e-01  4.5567700000e-01 -1.8969150000e+00 -1.0741780000e+00  1.6292470000e+00 -2.1246580000e+00 -1.0090240000e+00  2.5566740000e+00 -2.6736160000e+00 -7.5683300000e-01  1.1685310000e+00
-ENERGY -1.526591620394e+02
-FORCES -6.7796000000e-03 -6.4449000000e-03  7.6375000000e-03 -2.0966000000e-03  3.7790000000e-04  3.5437000000e-03  2.3766000000e-03  3.4993000000e-03 -9.2933000000e-03  2.3789000000e-03  4.6338000000e-03  1.4314000000e-03 -1.3513000000e-03 -4.6530000000e-04 -4.6691000000e-03  5.4719000000e-03 -1.6007000000e-03  1.3498000000e-03
-
-JOB 390
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0960400000e-01  9.7989000000e-02 -9.2881400000e-01  2.9134300000e-01  8.1958700000e-01  3.9953400000e-01  4.5194400000e-01  5.5603400000e-01 -2.5696750000e+00  1.1725560000e+00  2.7063100000e-01 -3.1313650000e+00  3.0083400000e-01  1.4680360000e+00 -2.8179670000e+00
-ENERGY -1.526591495510e+02
-FORCES  4.1907000000e-03  5.0136000000e-03 -1.5699700000e-02 -1.4810000000e-03 -2.0953000000e-03  8.0444000000e-03 -9.5670000000e-04 -1.4868000000e-03 -1.7590000000e-03 -1.8200000000e-04  3.9080000000e-04  6.1694000000e-03 -3.7933000000e-03  2.8108000000e-03  2.4543000000e-03  2.2224000000e-03 -4.6330000000e-03  7.9060000000e-04
-
-JOB 391
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5525900000e-01  1.6711400000e-01  9.0727500000e-01  6.0368000000e-01 -7.4093200000e-01  5.3125000000e-02 -2.9841010000e+00 -3.5665820000e+00 -1.8748000000e-01 -2.1878260000e+00 -4.0400290000e+00 -4.2836500000e-01 -2.8293370000e+00 -2.6699200000e+00 -4.8459600000e-01
-ENERGY -1.526551292227e+02
-FORCES  2.2665000000e-03 -1.4207000000e-03  4.5251000000e-03  9.7540000000e-04 -8.4160000000e-04 -4.0404000000e-03 -2.9612000000e-03  2.7097000000e-03 -5.3140000000e-04  3.7128000000e-03  2.1911000000e-03 -2.7358000000e-03 -3.0086000000e-03  1.7495000000e-03  1.2410000000e-03 -9.8490000000e-04 -4.3879000000e-03  1.5415000000e-03
-
-JOB 392
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0011000000e-01  4.4982900000e-01  2.7149600000e-01  2.9918000000e-02 -8.4014200000e-01  4.5771000000e-01  1.4867810000e+00  1.8373460000e+00 -3.2667110000e+00  6.0800400000e-01  1.4948930000e+00 -3.1032810000e+00  1.4143080000e+00  2.7761800000e+00 -3.0947500000e+00
-ENERGY -1.526559801916e+02
-FORCES  4.0087000000e-03 -2.0797000000e-03  3.1962000000e-03 -3.8720000000e-03 -1.7490000000e-03 -6.0620000000e-04 -1.2530000000e-04  3.4707000000e-03 -1.6951000000e-03 -4.7306000000e-03  1.7166000000e-03  1.3012000000e-03  4.1512000000e-03  2.3330000000e-03 -1.7523000000e-03  5.6790000000e-04 -3.6916000000e-03 -4.4380000000e-04
-
-JOB 393
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5965000000e-01  5.7935600000e-01 -5.9243000000e-02  7.4190500000e-01  5.5071300000e-01 -2.5004800000e-01  2.4070130000e+00  1.1494540000e+00 -7.0167200000e-01  3.1297690000e+00  7.2297900000e-01 -2.4126500000e-01  2.4662510000e+00  2.0688450000e+00 -4.4197200000e-01
-ENERGY -1.526603792600e+02
-FORCES  1.0261100000e-02  6.1275000000e-03 -4.5129000000e-03  3.7940000000e-03 -2.5930000000e-04 -1.0420000000e-04 -1.0490700000e-02 -2.2413000000e-03  3.9150000000e-03  1.5446000000e-03 -1.7973000000e-03  3.7012000000e-03 -3.2638000000e-03  3.5023000000e-03 -2.3798000000e-03 -1.8452000000e-03 -5.3319000000e-03 -6.1930000000e-04
-
-JOB 394
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0016100000e-01 -1.9740600000e-01  9.1498500000e-01 -1.7226000000e-02  9.5616600000e-01 -4.1001000000e-02  2.6443400000e-01  2.4848500000e-01  2.7669580000e+00  2.2885400000e-01  1.1861670000e+00  2.9559500000e+00  9.6174800000e-01 -8.3959000000e-02  3.3321710000e+00
-ENERGY -1.526590764124e+02
-FORCES  1.2538000000e-03  3.5026000000e-03  1.3573100000e-02  2.4460000000e-04 -2.3496000000e-03 -8.3768000000e-03 -1.6290000000e-04 -1.8809000000e-03 -2.5620000000e-04  1.1965000000e-03  3.1762000000e-03 -6.1700000000e-04  8.7160000000e-04 -4.5926000000e-03 -1.0496000000e-03 -3.4035000000e-03  2.1444000000e-03 -3.2735000000e-03
-
-JOB 395
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3131800000e-01 -6.5916300000e-01 -4.4658400000e-01  8.3990700000e-01 -1.7689000000e-02 -4.5877600000e-01 -2.2997680000e+00 -1.7462740000e+00 -7.4801000000e-01 -2.9846180000e+00 -1.1810980000e+00 -3.9053400000e-01 -2.4200540000e+00 -2.5827760000e+00 -2.9853500000e-01
-ENERGY -1.526617554722e+02
-FORCES -3.3101000000e-03 -5.2542000000e-03 -4.2032000000e-03  7.9403000000e-03  6.6650000000e-03  2.6528000000e-03 -3.1882000000e-03 -8.1960000000e-04  1.1896000000e-03 -4.7371000000e-03 -1.0658000000e-03  4.1586000000e-03  3.1731000000e-03 -3.4690000000e-03 -1.7140000000e-03  1.2200000000e-04  3.9436000000e-03 -2.0838000000e-03
-
-JOB 396
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4114200000e-01 -5.2000400000e-01 -3.1070300000e-01 -1.2915900000e-01  8.6209500000e-01 -3.9540000000e-01 -3.2229300000e-01  4.9323200000e-01  2.8815740000e+00 -4.0552000000e-02  6.3868700000e-01  1.9784150000e+00  3.8064000000e-01 -2.6450000000e-02  3.2715060000e+00
-ENERGY -1.526596157641e+02
-FORCES -5.4435000000e-03 -1.8371000000e-03 -2.7322000000e-03  3.8861000000e-03  2.8576000000e-03 -2.9100000000e-05  4.8420000000e-04 -3.7980000000e-03  4.4986000000e-03  4.3076000000e-03 -3.9114000000e-03 -8.6016000000e-03 -8.6610000000e-04  5.0973000000e-03  7.7676000000e-03 -2.3683000000e-03  1.5915000000e-03 -9.0320000000e-04
-
-JOB 397
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8989000000e-01 -2.1618600000e-01  4.9554900000e-01 -2.4731000000e-01 -8.2013400000e-01 -4.2714300000e-01 -1.3056100000e-01 -2.8070310000e+00 -1.1734960000e+00 -1.3399200000e-01 -2.8532610000e+00 -2.1295730000e+00 -9.6269300000e-01 -3.2007200000e+00 -9.1120400000e-01
-ENERGY -1.526611342425e+02
-FORCES  2.8784000000e-03 -9.4268000000e-03 -1.9951000000e-03 -2.3212000000e-03  1.6856000000e-03 -9.4500000000e-04 -1.9612000000e-03  8.6808000000e-03  3.3118000000e-03 -2.0832000000e-03 -4.4244000000e-03 -3.9209000000e-03 -5.7580000000e-04  2.2830000000e-04  4.9802000000e-03  4.0630000000e-03  3.2566000000e-03 -1.4310000000e-03
-
-JOB 398
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9119000000e-02  9.3179800000e-01 -2.1092500000e-01  7.3986800000e-01 -3.1686600000e-01 -5.1809600000e-01  2.6511580000e+00 -2.3337400000e-01 -9.2781500000e-01  2.5047060000e+00 -2.3938800000e-01 -1.8737260000e+00  2.9131310000e+00 -1.1302250000e+00 -7.1982200000e-01
-ENERGY -1.526572133520e+02
-FORCES  1.3404100000e-02  3.0653000000e-03 -3.7629000000e-03 -8.2110000000e-04 -2.7111000000e-03  1.2800000000e-04 -8.5899000000e-03 -2.8643000000e-03 -1.0909000000e-03  2.2837000000e-03 -2.2401000000e-03 -1.8630000000e-04 -2.8574000000e-03 -8.2200000000e-05  6.5690000000e-03 -3.4194000000e-03  4.8324000000e-03 -1.6569000000e-03
-
-JOB 399
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2821000000e-02  2.9402700000e-01 -9.1083200000e-01  6.0455200000e-01  5.9962600000e-01  4.3726100000e-01  2.2401900000e-01  5.9987600000e-01 -2.8338320000e+00 -5.6560100000e-01  9.6780800000e-01 -3.2305140000e+00  9.3794300000e-01  1.1366100000e+00 -3.1780130000e+00
-ENERGY -1.526608632098e+02
-FORCES  2.9202000000e-03  3.6413000000e-03 -9.2917000000e-03 -2.5082000000e-03 -1.1292000000e-03  1.0220200000e-02 -1.5607000000e-03 -1.5846000000e-03 -1.7379000000e-03  7.9520000000e-04  2.5437000000e-03 -3.3437000000e-03  4.4215000000e-03 -1.3891000000e-03  2.6417000000e-03 -4.0680000000e-03 -2.0820000000e-03  1.5114000000e-03
-
-JOB 400
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7520000000e-03 -9.0011400000e-01  3.2554800000e-01  6.8827800000e-01  4.4061500000e-01  4.9836100000e-01  1.6780600000e-01 -1.9531200000e-01  4.2185740000e+00  1.3760400000e-01 -5.1664700000e-01  5.1197190000e+00 -6.6381100000e-01  2.6342000000e-01  4.0993640000e+00
-ENERGY -1.526560485932e+02
-FORCES  3.4645000000e-03 -2.2204000000e-03  4.1852000000e-03 -4.4810000000e-04  3.4474000000e-03 -2.1381000000e-03 -2.9579000000e-03 -1.2445000000e-03 -2.8735000000e-03 -3.7742000000e-03  7.2750000000e-04  3.8593000000e-03 -8.9000000000e-06  1.3262000000e-03 -3.7283000000e-03  3.7246000000e-03 -2.0361000000e-03  6.9530000000e-04
-
-JOB 401
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0597500000e-01  4.5272900000e-01  8.1782800000e-01 -7.3525000000e-01  4.9063400000e-01 -3.6731100000e-01  2.3562870000e+00  1.1708160000e+00 -7.1493000000e-01  1.5233400000e+00  7.2034500000e-01 -5.7526100000e-01  2.9860750000e+00  6.7990100000e-01 -1.8710300000e-01
-ENERGY -1.526588189549e+02
-FORCES -9.8700000000e-05  4.9807000000e-03  8.2760000000e-04  2.3087000000e-03 -1.9046000000e-03 -7.2241000000e-03  4.9428000000e-03 -2.0085000000e-03  2.2094000000e-03 -1.1581600000e-02 -1.0125300000e-02  2.1118000000e-03  7.6086000000e-03  7.5498000000e-03  2.3850000000e-03 -3.1798000000e-03  1.5079000000e-03 -3.0980000000e-04
-
-JOB 402
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4362600000e-01 -4.3497900000e-01 -1.2377900000e-01 -5.3195600000e-01 -2.9307100000e-01 -7.3984100000e-01  1.9495740000e+00  3.5667100000e+00  2.8441270000e+00  1.2528350000e+00  3.0950520000e+00  3.3005550000e+00  1.8543060000e+00  4.4742270000e+00  3.1332090000e+00
-ENERGY -1.526542573447e+02
-FORCES  1.7327000000e-03 -2.6396000000e-03 -3.6837000000e-03 -3.6869000000e-03  1.4368000000e-03  4.7720000000e-04  2.0817000000e-03  1.1534000000e-03  3.0376000000e-03 -3.7836000000e-03  1.3877000000e-03  2.6196000000e-03  3.1818000000e-03  2.2511000000e-03 -1.3185000000e-03  4.7440000000e-04 -3.5894000000e-03 -1.1322000000e-03
-
-JOB 403
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5637000000e-01  3.5413300000e-01 -6.9374000000e-01  2.3765500000e-01 -8.7519900000e-01 -3.0623200000e-01  8.1509200000e-01 -2.5343100000e+00 -4.9342200000e-01  5.2615000000e-01 -2.6326330000e+00 -1.4006580000e+00  1.5555710000e+00 -3.1352400000e+00 -4.1092300000e-01
-ENERGY -1.526571283219e+02
-FORCES  4.0363000000e-03 -1.1509000000e-02 -1.5140000000e-03  2.3443000000e-03 -3.4827000000e-03  1.0176000000e-03 -5.7134000000e-03  6.8376000000e-03 -4.1567000000e-03  2.7509000000e-03  2.9133000000e-03  1.2063000000e-03  1.0328000000e-03  3.8818000000e-03  5.4826000000e-03 -4.4510000000e-03  1.3590000000e-03 -2.0358000000e-03
-
-JOB 404
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7055000000e-01 -7.8793100000e-01 -5.1605200000e-01 -6.1291600000e-01  6.4966700000e-01 -3.4423600000e-01 -2.7099000000e-02  5.4733300000e-01  2.6819470000e+00 -1.8240000000e-02  3.5825300000e-01  1.7436500000e+00 -8.9897000000e-01  9.0666300000e-01  2.8461260000e+00
-ENERGY -1.526592958432e+02
-FORCES -1.8349000000e-03 -1.8262000000e-03  1.8793000000e-03  5.9400000000e-05  5.0686000000e-03  1.0833000000e-03  2.3754000000e-03 -3.9728000000e-03  3.8191000000e-03 -1.1541000000e-03 -3.7627000000e-03 -1.3065000000e-02 -1.7697000000e-03  5.3400000000e-03  8.4076000000e-03  2.3238000000e-03 -8.4690000000e-04 -2.1243000000e-03
-
-JOB 405
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3092800000e-01  3.4982000000e-02 -9.4755800000e-01  7.5597000000e-01  4.6078200000e-01  3.6389600000e-01  4.4144000000e-02 -2.7259740000e+00  7.8022000000e-01  3.7204000000e-02 -2.7244520000e+00  1.7373940000e+00  8.5416000000e-02 -1.8005720000e+00  5.3905500000e-01
-ENERGY -1.526612056402e+02
-FORCES  2.5470000000e-03  1.5324000000e-03 -2.8699000000e-03  7.1700000000e-05 -3.8500000000e-04  5.5526000000e-03 -3.8221000000e-03 -3.5201000000e-03 -1.7180000000e-03 -1.5097000000e-03  1.2221900000e-02 -6.5670000000e-04  5.6870000000e-04  8.3890000000e-04 -2.7800000000e-03  2.1445000000e-03 -1.0688200000e-02  2.4720000000e-03
-
-JOB 406
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2855000000e-02  1.2422000000e-02  9.5352600000e-01 -8.7416000000e-01 -2.3145200000e-01 -3.1385600000e-01  4.1531200000e-01 -1.0497100000e-01  2.6779090000e+00  1.2367410000e+00 -5.5451800000e-01  2.8763850000e+00  6.1416400000e-01  8.2333500000e-01  2.8001340000e+00
-ENERGY -1.526602940469e+02
-FORCES  2.4100000000e-04 -2.5062000000e-03  1.3656300000e-02 -2.4379000000e-03  4.6265000000e-03 -9.8165000000e-03  2.4345000000e-03  5.6580000000e-04  2.8430000000e-03  5.2222000000e-03 -6.2520000000e-04 -4.1959000000e-03 -3.8480000000e-03  3.3205000000e-03  4.1550000000e-04 -1.6117000000e-03 -5.3813000000e-03 -2.9025000000e-03
-
-JOB 407
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0689100000e-01 -4.2779700000e-01 -2.8661700000e-01 -6.9824100000e-01 -5.9046500000e-01 -2.8291900000e-01  2.0030620000e+00 -1.7059560000e+00 -5.4161600000e-01  2.3281260000e+00 -1.9623200000e+00 -1.4046590000e+00  2.0353070000e+00 -2.5106560000e+00 -2.4268000000e-02
-ENERGY -1.526592087567e+02
-FORCES  1.0326400000e-02 -1.2066200000e-02 -4.4296000000e-03 -4.7327000000e-03  6.2880000000e-03  6.5250000000e-04  1.3792000000e-03  1.3221000000e-03  9.2080000000e-04 -5.1757000000e-03  1.2267000000e-03  2.4737000000e-03 -2.3049000000e-03  3.6850000000e-04  4.6997000000e-03  5.0770000000e-04  2.8608000000e-03 -4.3171000000e-03
-
-JOB 408
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8761200000e-01 -7.6236600000e-01 -3.1187400000e-01 -1.2988800000e-01 -1.6387800000e-01  9.3408000000e-01 -2.6640300000e-01 -3.7967700000e-01  2.6560490000e+00  2.4782700000e-01 -8.6478600000e-01  3.3013920000e+00 -3.5331300000e-01  4.9765300000e-01  3.0288370000e+00
-ENERGY -1.526597109687e+02
-FORCES -1.3620000000e-04 -5.5320000000e-03  1.4932600000e-02 -1.0411000000e-03  1.6918000000e-03  1.4462000000e-03 -6.1640000000e-04  4.3182000000e-03 -8.0252000000e-03  3.4936000000e-03  1.3783000000e-03 -4.1256000000e-03 -2.8050000000e-03  3.3122000000e-03 -2.0356000000e-03  1.1052000000e-03 -5.1685000000e-03 -2.1925000000e-03
-
-JOB 409
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7324000000e-02  7.8646000000e-02  9.5323300000e-01  8.1959400000e-01 -4.3381300000e-01 -2.3728500000e-01  5.8979800000e-01  2.7675490000e+00 -6.3006700000e-01  5.2260800000e-01  1.8626960000e+00 -3.2517400000e-01 -1.8952900000e-01  3.1978210000e+00 -2.7828900000e-01
-ENERGY -1.526594533785e+02
-FORCES  2.0151000000e-03 -4.4395000000e-03  1.7674000000e-03  5.2430000000e-04  2.4514000000e-03 -6.1290000000e-03 -4.1262000000e-03  4.2176000000e-03  1.7487000000e-03 -6.1667000000e-03 -9.9431000000e-03  2.0769000000e-03  5.1593000000e-03  9.0542000000e-03  8.9280000000e-04  2.5942000000e-03 -1.3406000000e-03 -3.5670000000e-04
-
-JOB 410
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2909000000e-01 -9.0160500000e-01  2.9440700000e-01  1.3655600000e-01 -7.3206000000e-02 -9.4457700000e-01 -3.5354200000e-01 -2.6797180000e+00  7.5531200000e-01  2.7853700000e-01 -3.3188570000e+00  4.2636100000e-01 -1.2067330000e+00 -3.0382940000e+00  5.1093400000e-01
-ENERGY -1.526609519758e+02
-FORCES -1.0301000000e-03 -1.2720000000e-02  1.3975000000e-03  5.9900000000e-04  9.9938000000e-03 -3.0868000000e-03 -3.9890000000e-04 -4.3510000000e-04  2.6184000000e-03 -1.4680000000e-04 -1.3944000000e-03 -2.2107000000e-03 -4.1008000000e-03  2.9754000000e-03  8.7340000000e-04  5.0776000000e-03  1.5803000000e-03  4.0820000000e-04
-
-JOB 411
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4058000000e-02  1.9604300000e-01  9.3397800000e-01  3.2445500000e-01  8.1143900000e-01 -3.9054900000e-01  5.9214800000e-01  2.5602130000e+00 -1.4381810000e+00  3.2553000000e-01  2.3048630000e+00 -2.3213250000e+00  1.3868290000e+00  3.0778530000e+00 -1.5676510000e+00
-ENERGY -1.526616918491e+02
-FORCES  1.8264000000e-03  8.7328000000e-03 -3.7040000000e-04  5.2610000000e-04 -6.0480000000e-04 -2.7821000000e-03 -2.4512000000e-03 -9.4029000000e-03  3.2347000000e-03  1.9613000000e-03  2.4254000000e-03 -4.8246000000e-03  2.1714000000e-03  1.0453000000e-03  4.7721000000e-03 -4.0339000000e-03 -2.1958000000e-03 -2.9700000000e-05
-
-JOB 412
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9601000000e-02 -1.3764100000e-01 -9.4469200000e-01  8.7520500000e-01  3.6683100000e-01  1.2523700000e-01  4.2006200000e-01  4.5704920000e+00  5.5690900000e-01  4.5135200000e-01  4.5877650000e+00  1.5134410000e+00  1.3235450000e+00  4.4006360000e+00  2.9026600000e-01
-ENERGY -1.526535490847e+02
-FORCES  2.8040000000e-03  1.6944000000e-03 -3.5901000000e-03  4.7060000000e-04  2.4730000000e-04  3.8477000000e-03 -3.0978000000e-03 -1.7306000000e-03 -3.2460000000e-04  3.2585000000e-03 -5.2610000000e-04  3.1710000000e-03  1.6220000000e-04  6.8800000000e-05 -4.0262000000e-03 -3.5975000000e-03  2.4610000000e-04  9.2230000000e-04
-
-JOB 413
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3542400000e-01 -4.2208100000e-01 -4.4410600000e-01  7.4729600000e-01 -1.4804900000e-01 -5.7953600000e-01  2.3081780000e+00 -1.1706450000e+00 -1.0620640000e+00  2.9470290000e+00 -6.8202500000e-01 -5.4307400000e-01  2.4896480000e+00 -2.0892160000e+00 -8.6324700000e-01
-ENERGY -1.526592226986e+02
-FORCES  7.5332000000e-03 -7.1440000000e-03 -7.2700000000e-03  2.2323000000e-03  7.6830000000e-04  1.4575000000e-03 -4.8053000000e-03  7.0620000000e-03  3.5878000000e-03 -1.2130000000e-03 -2.9489000000e-03  6.0558000000e-03 -4.5121000000e-03 -1.8995000000e-03 -2.5788000000e-03  7.6500000000e-04  4.1622000000e-03 -1.2523000000e-03
-
-JOB 414
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0713500000e-01 -4.8016600000e-01 -1.8494800000e-01  1.7607100000e-01  8.9090200000e-01 -3.0253100000e-01 -2.4113680000e+00 -1.3157420000e+00 -8.0882600000e-01 -1.7332230000e+00 -7.8711400000e-01 -3.8822500000e-01 -2.2548680000e+00 -1.2049070000e+00 -1.7466180000e+00
-ENERGY -1.526607057771e+02
-FORCES  2.8232000000e-03 -6.7070000000e-04 -2.0770000000e-03 -3.3072000000e-03  3.6299000000e-03  3.7530000000e-04 -6.2720000000e-04 -4.9048000000e-03  6.5810000000e-04  1.0338600000e-02  5.8656000000e-03  7.6320000000e-04 -8.5714000000e-03 -3.4445000000e-03 -1.9831000000e-03 -6.5590000000e-04 -4.7550000000e-04  2.2635000000e-03
-
-JOB 415
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7607100000e-01  5.4041800000e-01  1.4796900000e-01  7.3109000000e-01  5.4525400000e-01  2.9058100000e-01 -2.3483800000e+00  9.9867000000e-01  6.5123300000e-01 -3.0583190000e+00  4.2721700000e-01  3.5855600000e-01 -2.4891620000e+00  1.8182940000e+00  1.7728200000e-01
-ENERGY -1.526580627560e+02
-FORCES -1.5299800000e-02  6.7906000000e-03  6.3171000000e-03  9.3177000000e-03 -2.9900000000e-05 -5.0605000000e-03 -3.9824000000e-03  1.3500000000e-04 -5.7350000000e-04  3.1162000000e-03 -5.7177000000e-03 -3.4631000000e-03  3.2310000000e-03  4.4803000000e-03  1.1764000000e-03  3.6173000000e-03 -5.6583000000e-03  1.6037000000e-03
-
-JOB 416
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3266000000e-02 -8.4960100000e-01  4.3879200000e-01  5.9906000000e-02 -2.0811300000e-01 -9.3238000000e-01 -1.3971600000e-01 -6.8206800000e-01 -2.7644950000e+00 -8.7305700000e-01 -9.0056000000e-02 -2.9317190000e+00  6.3304600000e-01 -1.9239300000e-01 -3.0460800000e+00
-ENERGY -1.526606572406e+02
-FORCES -4.9950000000e-04 -7.3272000000e-03 -1.0444500000e-02 -3.7600000000e-05  2.5484000000e-03 -1.2595000000e-03  1.5070000000e-03  6.3763000000e-03  8.3173000000e-03 -1.4641000000e-03  3.2792000000e-03 -3.4967000000e-03  5.1132000000e-03 -2.7878000000e-03  2.3797000000e-03 -4.6191000000e-03 -2.0888000000e-03  4.5036000000e-03
-
-JOB 417
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3792400000e-01  1.4602200000e-01  9.1558800000e-01  5.1667000000e-02  8.6688800000e-01 -4.0257600000e-01 -1.9729140000e+00 -1.0149820000e+00 -1.1115320000e+00 -1.2166950000e+00 -6.1495300000e-01 -6.8218300000e-01 -1.6353290000e+00 -1.3257960000e+00 -1.9515700000e+00
-ENERGY -1.526535171495e+02
-FORCES -1.8765700000e-02 -9.0307000000e-03 -6.4398000000e-03 -2.9320000000e-04  1.4994000000e-03 -5.7731000000e-03 -1.7064000000e-03 -6.1028000000e-03  2.2743000000e-03  2.2521100000e-02  8.6732000000e-03  1.3905600000e-02 -2.9829000000e-03  2.4086000000e-03 -6.6242000000e-03  1.2270000000e-03  2.5523000000e-03  2.6573000000e-03
-
-JOB 418
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0090300000e-01  4.8236800000e-01  2.0520300000e-01 -1.2701600000e-01 -3.0493300000e-01 -8.9839600000e-01  1.9372800000e+00  1.6701550000e+00  1.0023200000e+00  1.3415600000e+00  2.3979670000e+00  1.1801950000e+00  1.3741140000e+00  9.7845700000e-01  6.5500300000e-01
-ENERGY -1.526593053527e+02
-FORCES  6.3340000000e-04  3.5763000000e-03 -1.5778000000e-03  4.8425000000e-03 -1.4692000000e-03 -1.4418000000e-03 -7.7250000000e-04  1.8322000000e-03  4.6990000000e-03 -1.1105300000e-02 -7.6502000000e-03 -5.5869000000e-03  7.0990000000e-04 -2.2702000000e-03 -5.2250000000e-04  5.6921000000e-03  5.9811000000e-03  4.4300000000e-03
-
-JOB 419
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1685500000e-01 -4.8214600000e-01  4.1217100000e-01  7.9369600000e-01 -3.9659300000e-01  3.5915500000e-01 -1.9487980000e+00 -1.8322080000e+00  8.3559100000e-01 -2.8510250000e+00 -1.5424740000e+00  7.0041100000e-01 -1.9023490000e+00 -2.6834770000e+00  4.0037200000e-01
-ENERGY -1.526608122134e+02
-FORCES -6.7533000000e-03 -9.5965000000e-03  5.6666000000e-03  5.3053000000e-03  8.0191000000e-03 -2.3804000000e-03 -2.2324000000e-03  5.7010000000e-04 -1.3774000000e-03  9.6900000000e-05 -1.2450000000e-03 -4.6542000000e-03  4.9847000000e-03 -1.4490000000e-03  7.0100000000e-05 -1.4012000000e-03  3.7012000000e-03  2.6753000000e-03
-
-JOB 420
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4559800000e-01 -4.0700500000e-01  1.8852800000e-01  6.4605900000e-01 -6.5132200000e-01  2.7316600000e-01  2.9863400000e-01  2.5951000000e+00  9.6478900000e-01  1.1045980000e+00  2.9079160000e+00  5.5393600000e-01  2.6341200000e-01  1.6639420000e+00  7.4584600000e-01
-ENERGY -1.526609694269e+02
-FORCES -1.9222000000e-03 -1.1457000000e-03  1.7711000000e-03  5.1418000000e-03  1.3465000000e-03 -5.7760000000e-04 -3.4549000000e-03  3.9828000000e-03 -9.9460000000e-04  3.3260000000e-04 -1.1548800000e-02 -6.5797000000e-03 -1.8779000000e-03 -1.6674000000e-03  1.2761000000e-03  1.7806000000e-03  9.0326000000e-03  5.1047000000e-03
-
-JOB 421
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6742900000e-01 -5.1335700000e-01 -4.5523100000e-01  1.7112500000e-01 -1.5394800000e-01  9.2911100000e-01  2.8888460000e+00  2.8605740000e+00  2.1303090000e+00  2.9281280000e+00  2.8881850000e+00  1.1743140000e+00  2.9801100000e+00  3.7742330000e+00  2.4007370000e+00
-ENERGY -1.526550482319e+02
-FORCES  3.3003000000e-03 -2.7919000000e-03  2.6527000000e-03 -2.5925000000e-03  2.2951000000e-03  1.6028000000e-03 -1.0112000000e-03  1.7960000000e-04 -4.2674000000e-03  1.5640000000e-04  4.2119000000e-03 -3.0227000000e-03  4.0000000000e-04 -2.0170000000e-04  4.1177000000e-03 -2.5300000000e-04 -3.6930000000e-03 -1.0832000000e-03
-
-JOB 422
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0266000000e-01  5.7239000000e-02 -7.4145600000e-01 -2.3834800000e-01  7.3838100000e-01  5.6054900000e-01  2.1533000000e+00  1.3649110000e+00 -1.2499740000e+00  1.4845980000e+00  8.5648600000e-01 -7.9109000000e-01  2.9722710000e+00  1.1364070000e+00 -8.1031100000e-01
-ENERGY -1.526612761309e+02
-FORCES -4.7236000000e-03  2.3773000000e-03 -7.4400000000e-04  4.4996000000e-03  7.6350000000e-04  4.0309000000e-03  3.0762000000e-03 -3.4541000000e-03 -4.2757000000e-03 -6.0899000000e-03 -8.2959000000e-03  6.4754000000e-03  6.2675000000e-03  8.0302000000e-03 -4.8881000000e-03 -3.0298000000e-03  5.7890000000e-04 -5.9850000000e-04
-
-JOB 423
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7902400000e-01  4.1178300000e-01 -6.4140300000e-01  2.3292300000e-01 -8.4145500000e-01 -3.9234200000e-01  2.2307080000e+00  1.3319890000e+00 -4.4209600000e-01  1.9725590000e+00  2.2233240000e+00 -2.0733800000e-01  1.4127770000e+00  8.3486800000e-01 -4.3256900000e-01
-ENERGY -1.526561292711e+02
-FORCES  4.6608000000e-03  1.2971000000e-03 -2.4276000000e-03  6.9674000000e-03 -5.9450000000e-04  3.1409000000e-03  5.7420000000e-04  7.3978000000e-03  1.0899000000e-03 -1.8143000000e-02 -8.2643000000e-03  6.6395000000e-03 -5.3830000000e-04 -2.5579000000e-03 -1.2139000000e-03  6.4788000000e-03  2.7218000000e-03 -7.2288000000e-03
-
-JOB 424
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9373000000e-02 -3.8300000000e-04 -9.5700400000e-01 -1.4068700000e-01 -9.1502400000e-01  2.4325100000e-01 -3.7624000000e-01 -2.7110930000e+00  6.5488700000e-01 -1.2040150000e+00 -3.1296690000e+00  4.1863700000e-01  2.9554600000e-01 -3.3329610000e+00  3.7521700000e-01
-ENERGY -1.526611556855e+02
-FORCES -1.7785000000e-03 -1.2185100000e-02  6.9630000000e-04 -1.8400000000e-05 -6.1560000000e-04  2.6504000000e-03  1.2929000000e-03  9.9876000000e-03 -2.6303000000e-03 -7.5100000000e-05 -1.4577000000e-03 -1.8408000000e-03  4.8792000000e-03  1.5572000000e-03  4.2110000000e-04 -4.3002000000e-03  2.7137000000e-03  7.0320000000e-04
-
-JOB 425
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3383700000e-01  2.9014300000e-01 -3.6981800000e-01  1.0243800000e-01 -8.9822900000e-01 -3.1452100000e-01  1.5361210000e+00  4.4792720000e+00 -2.1205500000e-01  1.4557240000e+00  4.2607720000e+00  7.1639800000e-01  6.3409900000e-01  4.5064050000e+00 -5.3119600000e-01
-ENERGY -1.526540137167e+02
-FORCES -2.5642000000e-03 -2.8231000000e-03 -3.1713000000e-03  3.3053000000e-03 -8.4000000000e-04  1.7055000000e-03 -5.7250000000e-04  3.6558000000e-03  1.3572000000e-03 -3.8722000000e-03 -1.8555000000e-03  2.6854000000e-03  3.0140000000e-04  1.6283000000e-03 -3.6768000000e-03  3.4022000000e-03  2.3460000000e-04  1.1000000000e-03
-
-JOB 426
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1344000000e-02  8.9020400000e-01 -3.4936900000e-01 -8.6547800000e-01 -3.6810000000e-01 -1.7799500000e-01 -2.4525460000e+00 -1.7160610000e+00 -2.0780700000e-01 -3.0625180000e+00 -1.3067620000e+00  4.0590400000e-01 -2.6499580000e+00 -1.3076550000e+00 -1.0506980000e+00
-ENERGY -1.526577587696e+02
-FORCES -6.2185000000e-03 -3.1482000000e-03 -8.0330000000e-04 -1.4403000000e-03 -3.8566000000e-03  8.9280000000e-04  5.8181000000e-03  8.3548000000e-03 -2.0544000000e-03 -6.2981000000e-03 -9.3610000000e-04 -3.7400000000e-05  4.0477000000e-03 -1.0279000000e-03 -3.8661000000e-03  4.0911000000e-03  6.1390000000e-04  5.8685000000e-03
-
-JOB 427
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6977000000e-02 -8.1849200000e-01  4.9028300000e-01  3.2617200000e-01 -2.1248100000e-01 -8.7446900000e-01 -1.9045220000e+00  1.5606900000e+00  9.5936400000e-01 -1.1689440000e+00  1.1082190000e+00  5.4653500000e-01 -1.8297120000e+00  2.4658140000e+00  6.5706200000e-01
-ENERGY -1.526596804523e+02
-FORCES -7.1686000000e-03  2.6043000000e-03  2.3784000000e-03  4.8770000000e-04  3.5265000000e-03 -4.0527000000e-03 -8.2860000000e-04 -2.3400000000e-04  4.7765000000e-03  1.2185700000e-02 -7.9137000000e-03 -6.8005000000e-03 -5.7174000000e-03  5.2244000000e-03  4.2119000000e-03  1.0411000000e-03 -3.2074000000e-03 -5.1370000000e-04
-
-JOB 428
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2862900000e-01 -2.5051300000e-01 -4.0847200000e-01  1.1901000000e-01 -2.0242700000e-01  9.2795000000e-01 -6.3008800000e-01  2.4994010000e+00 -1.0537360000e+00 -1.1662410000e+00  3.1281010000e+00 -5.7050900000e-01 -4.5875100000e-01  1.7975280000e+00 -4.2584300000e-01
-ENERGY -1.526604099167e+02
-FORCES  3.7480000000e-03 -1.1925000000e-03 -1.4300000000e-03 -4.1210000000e-03  8.8110000000e-04  3.3257000000e-03 -5.5300000000e-04  2.2415000000e-03 -4.7507000000e-03  7.0970000000e-04 -9.3062000000e-03  5.4099000000e-03  1.8839000000e-03 -3.3029000000e-03 -1.4630000000e-04 -1.6676000000e-03  1.0679100000e-02 -2.4086000000e-03
-
-JOB 429
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3771300000e-01  4.3584600000e-01  5.6532500000e-01 -7.8406000000e-01  5.4609700000e-01  5.7092000000e-02 -2.2734300000e+00  1.5260230000e+00  2.1515200000e-01 -3.0541670000e+00  1.1642000000e+00 -2.0409200000e-01 -2.3713850000e+00  2.4741310000e+00  1.2724600000e-01
-ENERGY -1.526608336947e+02
-FORCES -1.0040700000e-02  9.1486000000e-03  3.0116000000e-03 -2.0250000000e-03 -3.7770000000e-04 -1.6676000000e-03  7.1102000000e-03 -6.3212000000e-03 -1.1511000000e-03  1.7871000000e-03 -6.6540000000e-04 -2.5297000000e-03  3.9114000000e-03  2.9529000000e-03  1.8996000000e-03 -7.4290000000e-04 -4.7372000000e-03  4.3710000000e-04
-
-JOB 430
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6856700000e-01  4.2065600000e-01 -3.8546900000e-01 -6.7133000000e-02 -8.3980200000e-01 -4.5437600000e-01  1.4067300000e-01  2.7307700000e-01  2.9569310000e+00  2.0896600000e-01  1.7781800000e-01  2.0069350000e+00 -6.5004200000e-01 -2.1311100000e-01  3.1906470000e+00
-ENERGY -1.526612211782e+02
-FORCES  2.0371000000e-03 -1.9550000000e-03 -4.4728000000e-03 -3.6948000000e-03 -2.7732000000e-03  2.6723000000e-03  4.9330000000e-04  4.3326000000e-03  1.7935000000e-03 -3.8245000000e-03 -2.4293000000e-03 -9.2851000000e-03  2.5520000000e-03  1.7714000000e-03  9.5468000000e-03  2.4369000000e-03  1.0535000000e-03 -2.5470000000e-04
-
-JOB 431
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7433900000e-01  5.3132800000e-01  4.2330800000e-01  8.1443600000e-01  2.5680400000e-01  4.3241000000e-01  2.5333040000e+00  3.5642920000e+00  5.4437000000e-02  3.2823030000e+00  3.8001970000e+00  6.0177700000e-01  2.7849430000e+00  3.8380320000e+00 -8.2759300000e-01
-ENERGY -1.526555654002e+02
-FORCES  1.2353000000e-03  4.5095000000e-03  3.3400000000e-03  2.1330000000e-03 -2.5994000000e-03 -1.5785000000e-03 -3.5885000000e-03 -2.4766000000e-03 -1.3815000000e-03  4.2205000000e-03  2.7147000000e-03 -2.1058000000e-03 -3.1888000000e-03 -1.2236000000e-03 -2.1650000000e-03 -8.1160000000e-04 -9.2460000000e-04  3.8907000000e-03
-
-JOB 432
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7365000000e-02  1.4171100000e-01 -9.4546600000e-01 -8.4482000000e-01  3.0489100000e-01  3.3098700000e-01 -7.3330400000e-01  5.6168700000e-01 -2.5765820000e+00 -5.3452200000e-01 -2.8757400000e-01 -2.9708820000e+00 -1.6125490000e+00  7.7231100000e-01 -2.8909050000e+00
-ENERGY -1.526578907183e+02
-FORCES -7.7076000000e-03  6.2012000000e-03 -1.2953700000e-02  5.3112000000e-03 -6.0274000000e-03  3.5032000000e-03  1.9085000000e-03 -1.0802000000e-03  4.1250000000e-04 -3.2039000000e-03 -1.8909000000e-03  3.5882000000e-03 -6.1100000000e-04  4.6010000000e-03  4.8005000000e-03  4.3028000000e-03 -1.8036000000e-03  6.4920000000e-04
-
-JOB 433
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8781000000e-02 -7.3153000000e-02 -9.5361200000e-01  7.6556800000e-01 -5.1759700000e-01  2.4946200000e-01 -2.6376820000e+00 -1.8056400000e+00  3.8122500000e-01 -2.6258230000e+00 -1.8205010000e+00  1.3382370000e+00 -2.0411390000e+00 -1.0953700000e+00  1.4482800000e-01
-ENERGY -1.526595555601e+02
-FORCES  6.3839000000e-03 -2.0927000000e-03 -2.6434000000e-03 -1.4527000000e-03 -4.2160000000e-04  5.2334000000e-03 -3.2806000000e-03  2.8036000000e-03 -1.3278000000e-03  5.5234000000e-03  5.2765000000e-03  3.4822000000e-03 -4.8930000000e-04 -7.5220000000e-04 -3.0270000000e-03 -6.6847000000e-03 -4.8134000000e-03 -1.7174000000e-03
-
-JOB 434
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8330000000e-02 -5.1158000000e-02  9.5460900000e-01  1.8207100000e-01 -8.9719600000e-01 -2.7950200000e-01 -2.3067060000e+00  6.5046800000e-01 -1.1741580000e+00 -1.4939710000e+00  3.0758500000e-01 -8.0250600000e-01 -2.1530590000e+00  6.6061200000e-01 -2.1188910000e+00
-ENERGY -1.526588605151e+02
-FORCES -5.1764000000e-03  3.5490000000e-04  1.2946000000e-03  5.6910000000e-04 -8.6450000000e-04 -5.5552000000e-03 -3.5845000000e-03  5.6720000000e-03  5.2270000000e-04  1.6016400000e-02 -2.4627000000e-03  6.3647000000e-03 -8.9205000000e-03 -1.4938000000e-03 -5.7091000000e-03  1.0959000000e-03 -1.2059000000e-03  3.0824000000e-03
-
-JOB 435
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0685600000e-01 -2.2197900000e-01  4.6469400000e-01 -3.7986000000e-02  9.5052700000e-01 -1.0623800000e-01  2.6209110000e+00 -5.8243600000e-01  4.2972500000e-01  2.5394860000e+00 -8.6217900000e-01  1.3415070000e+00  1.7405400000e+00 -2.9543500000e-01  1.8721800000e-01
-ENERGY -1.526587911345e+02
-FORCES  2.3358000000e-03 -1.4828000000e-03  3.3502000000e-03  3.2445000000e-03  2.7408000000e-03 -2.4206000000e-03  1.5254000000e-03 -5.7900000000e-03  1.4476000000e-03 -1.5727700000e-02  8.3560000000e-04  7.1990000000e-04  4.7850000000e-04  5.4830000000e-04 -2.0537000000e-03  8.1435000000e-03  3.1481000000e-03 -1.0434000000e-03
-
-JOB 436
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6459400000e-01  1.8287100000e-01 -9.2504000000e-01 -4.7224800000e-01 -8.1478600000e-01  1.7128400000e-01 -8.2869100000e-01  7.1988400000e-01 -2.6682110000e+00 -9.0988000000e-01 -1.6988700000e-01 -3.0116470000e+00  9.7580000000e-03  1.0326710000e+00 -3.0079140000e+00
-ENERGY -1.526589369623e+02
-FORCES -6.2534000000e-03  1.7873000000e-03 -9.6386000000e-03  6.2388000000e-03 -4.8330000000e-03  7.4708000000e-03  1.4883000000e-03  2.2808000000e-03 -1.5774000000e-03  1.2775000000e-03 -4.2100000000e-04 -4.9094000000e-03  1.5022000000e-03  4.2163000000e-03  4.7005000000e-03 -4.2533000000e-03 -3.0304000000e-03  3.9541000000e-03
-
-JOB 437
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1845000000e-01 -6.0508100000e-01 -1.8422700000e-01 -1.5626700000e-01  2.9172800000e-01  8.9816900000e-01  3.5274700000e-01 -1.4376700000e-01  2.9826130000e+00 -6.0165500000e-01 -1.8364000000e-01  2.9213150000e+00  6.2936100000e-01 -1.0594090000e+00  3.0189070000e+00
-ENERGY -1.526550673474e+02
-FORCES -3.4110000000e-04 -4.7390000000e-04  7.1328000000e-03  2.7317000000e-03  1.9441000000e-03  2.1385000000e-03 -5.2816000000e-03 -7.3910000000e-04 -5.9482000000e-03 -7.5000000000e-06 -6.6409000000e-03  5.7340000000e-04  5.0598000000e-03  1.5667000000e-03 -4.7500000000e-03 -2.1612000000e-03  4.3431000000e-03  8.5350000000e-04
-
-JOB 438
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2929600000e-01  8.3825300000e-01  1.7108000000e-01  7.6431200000e-01 -2.2000000000e-04  5.7624500000e-01  2.4965990000e+00 -3.3513400000e-01  1.0090840000e+00  2.7787680000e+00 -5.9343200000e-01  1.8865210000e+00  2.3382430000e+00 -1.1625560000e+00  5.5463100000e-01
-ENERGY -1.526598312317e+02
-FORCES  1.1234900000e-02  2.8230000000e-03  6.2474000000e-03  2.1391000000e-03 -2.2759000000e-03  5.8020000000e-04 -8.2339000000e-03 -3.9629000000e-03 -5.1281000000e-03 -1.0284000000e-03 -3.8164000000e-03 -1.1976000000e-03 -2.0435000000e-03  9.6690000000e-04 -4.7389000000e-03 -2.0682000000e-03  6.2652000000e-03  4.2369000000e-03
-
-JOB 439
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6828000000e-02  2.5418300000e-01 -9.2041100000e-01 -6.6391800000e-01  5.2790900000e-01  4.4357300000e-01 -2.5617620000e+00  1.5990170000e+00  2.3334400000e-01 -2.5273650000e+00  1.5589220000e+00  1.1890850000e+00 -3.0301940000e+00  8.0475600000e-01 -2.3471000000e-02
-ENERGY -1.526577651236e+02
-FORCES -6.8849000000e-03  7.9396000000e-03 -3.2624000000e-03  1.2052000000e-03 -2.5519000000e-03  2.2778000000e-03  3.9572000000e-03 -5.1860000000e-03  3.5071000000e-03 -4.9719000000e-03 -2.6949000000e-03  1.7997000000e-03  3.1452000000e-03 -1.5073000000e-03 -5.6969000000e-03  3.5492000000e-03  4.0004000000e-03  1.3746000000e-03
-
-JOB 440
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0468600000e-01  1.6140400000e-01  4.9260600000e-01 -7.0271700000e-01  2.5289200000e-01  5.9872000000e-01 -1.8473500000e-01 -2.6579850000e+00  1.0244670000e+00  6.9546200000e-01 -2.9977410000e+00  8.6306500000e-01 -1.4935200000e-01 -1.7488760000e+00  7.2697700000e-01
-ENERGY -1.526583353732e+02
-FORCES  2.4070000000e-04  3.9804000000e-03  3.1045000000e-03 -4.9297000000e-03 -4.2378000000e-03 -2.1135000000e-03  4.8422000000e-03 -5.1078000000e-03 -2.7130000000e-03  3.2209000000e-03  9.5650000000e-03 -7.7598000000e-03 -2.2863000000e-03  1.8759000000e-03  9.2860000000e-04 -1.0879000000e-03 -6.0758000000e-03  8.5533000000e-03
-
-JOB 441
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2042000000e-02 -8.6649700000e-01 -4.0195200000e-01  5.9188900000e-01  4.8821600000e-01 -5.7231600000e-01 -2.4719480000e+00  1.1004170000e+00 -6.8196900000e-01 -1.5482750000e+00  8.8856600000e-01 -5.4713500000e-01 -2.4792430000e+00  2.0414110000e+00 -8.5720900000e-01
-ENERGY -1.526592438534e+02
-FORCES  8.0490000000e-04 -3.8975000000e-03 -2.4251000000e-03  5.0430000000e-04  5.5579000000e-03  1.6085000000e-03 -6.5767000000e-03 -1.0309000000e-03  2.1985000000e-03  1.0786700000e-02 -2.9685000000e-03  4.5760000000e-03 -7.7041000000e-03  5.6422000000e-03 -6.5680000000e-03  2.1849000000e-03 -3.3033000000e-03  6.1010000000e-04
-
-JOB 442
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2804000000e-02 -3.7637800000e-01  8.8000400000e-01  7.5960000000e-01 -4.0167100000e-01 -4.2178200000e-01 -3.4817500000e-01 -8.7384700000e-01  2.6053320000e+00 -1.2697730000e+00 -1.1284780000e+00  2.6506500000e+00 -3.3429200000e-01  3.2689000000e-02  2.9123010000e+00
-ENERGY -1.526613003127e+02
-FORCES  6.4320000000e-04 -6.9108000000e-03  1.1407600000e-02  7.5980000000e-04  6.7793000000e-03 -9.1550000000e-03 -2.1748000000e-03  6.7220000000e-04  2.3491000000e-03 -4.2921000000e-03  2.5586000000e-03  5.9500000000e-05  5.0711000000e-03  2.0877000000e-03 -4.1120000000e-04 -7.1000000000e-06 -5.1870000000e-03 -4.2500000000e-03
-
-JOB 443
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2402300000e-01 -9.1128800000e-01  2.6533900000e-01  4.5054100000e-01  4.0633200000e-01  7.4036400000e-01 -2.2414470000e+00  1.4727880000e+00  6.3336200000e-01 -1.5768800000e+00  9.0551500000e-01  2.4248400000e-01 -2.0034300000e+00  1.5185130000e+00  1.5593690000e+00
-ENERGY -1.526582985565e+02
-FORCES -9.0200000000e-05  1.8600000000e-05  4.4083000000e-03 -1.7800000000e-04  5.8758000000e-03 -4.1670000000e-04 -5.0565000000e-03 -2.0311000000e-03 -2.9792000000e-03  1.2296100000e-02 -8.4891000000e-03 -2.5623000000e-03 -7.5817000000e-03  5.0686000000e-03  4.1314000000e-03  6.1020000000e-04 -4.4290000000e-04 -2.5815000000e-03
-
-JOB 444
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3846600000e-01 -9.0671100000e-01 -1.9298000000e-01  5.6859300000e-01  2.5820900000e-01 -7.2543900000e-01 -5.2808300000e-01 -2.6292590000e+00 -5.8592800000e-01 -4.7816400000e-01 -2.9685480000e+00 -1.4795850000e+00 -1.3934770000e+00 -2.8961100000e+00 -2.7590300000e-01
-ENERGY -1.526602105440e+02
-FORCES -5.7880000000e-04 -1.4039200000e-02 -5.1854000000e-03 -1.7430000000e-04  9.4348000000e-03  3.1298000000e-03 -1.6585000000e-03 -1.1679000000e-03  1.4336000000e-03 -1.4623000000e-03  2.3616000000e-03 -1.6534000000e-03 -8.3500000000e-04  1.4528000000e-03  4.6526000000e-03  4.7089000000e-03  1.9578000000e-03 -2.3772000000e-03
-
-JOB 445
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8409500000e-01 -3.5585600000e-01  8.9299000000e-02  2.3503400000e-01  2.8333400000e-01  8.8358000000e-01  1.9115090000e+00 -1.3096630000e+00 -1.4167280000e+00  1.4118650000e+00 -6.7050100000e-01 -9.0873100000e-01  1.5754580000e+00 -2.1590760000e+00 -1.1307210000e+00
-ENERGY -1.526586993105e+02
-FORCES  5.8770000000e-04 -4.5744000000e-03 -1.9033000000e-03  4.3117000000e-03  1.9920000000e-03  1.3999000000e-03 -9.1420000000e-04 -2.5104000000e-03 -4.8939000000e-03 -1.2776700000e-02  4.9508000000e-03  8.8339000000e-03  7.7768000000e-03 -1.2117000000e-03 -2.3169000000e-03  1.0147000000e-03  1.3538000000e-03 -1.1198000000e-03
-
-JOB 446
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1244300000e-01 -4.2234300000e-01  2.7891800000e-01  5.9274000000e-02  8.8899100000e-01  3.4987700000e-01 -2.3233800000e+00 -1.2320590000e+00  7.5853100000e-01 -2.1784620000e+00 -1.3204930000e+00  1.7005560000e+00 -1.5733080000e+00 -7.2563500000e-01  4.4683100000e-01
-ENERGY -1.526598865431e+02
-FORCES -1.2380000000e-04 -2.1738000000e-03  2.9904000000e-03 -3.8720000000e-03  3.4856000000e-03 -6.3030000000e-04 -6.8160000000e-04 -5.6812000000e-03 -6.5900000000e-04  1.3609400000e-02  6.2906000000e-03 -2.2954000000e-03  2.8950000000e-04  5.4490000000e-04 -2.5283000000e-03 -9.2215000000e-03 -2.4660000000e-03  3.1226000000e-03
-
-JOB 447
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9252200000e-01 -2.5121800000e-01  4.7437300000e-01 -6.9099800000e-01 -5.3931100000e-01  3.8457300000e-01 -1.4274000000e-01  1.4642800000e-01 -2.9758310000e+00  5.7820800000e-01  7.7530200000e-01 -3.0072150000e+00 -3.2546000000e-01  3.7191000000e-02 -2.0426040000e+00
-ENERGY -1.526605322178e+02
-FORCES  2.3067000000e-03 -3.1523000000e-03  3.5527000000e-03 -4.1674000000e-03  1.2322000000e-03 -1.2351000000e-03  3.5969000000e-03  2.3680000000e-03 -2.8078000000e-03  3.0215000000e-03  2.2109000000e-03  9.9823000000e-03 -1.6592000000e-03 -1.9277000000e-03 -9.8670000000e-04 -3.0986000000e-03 -7.3120000000e-04 -8.5054000000e-03
-
-JOB 448
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7564300000e-01  5.0757700000e-01 -2.3869500000e-01  7.2470100000e-01  6.2122900000e-01 -7.1522000000e-02 -1.5077500000e+00  1.3332650000e+00 -3.1255940000e+00 -8.1412800000e-01  8.1647700000e-01 -3.5355350000e+00 -1.3584700000e+00  2.2257410000e+00 -3.4377370000e+00
-ENERGY -1.526566532939e+02
-FORCES -1.6021000000e-03  5.2155000000e-03 -2.1935000000e-03  4.0147000000e-03 -2.6166000000e-03  3.2995000000e-03 -2.2518000000e-03 -2.5854000000e-03  2.6450000000e-04  3.1649000000e-03  7.8020000000e-04 -4.7007000000e-03 -2.9982000000e-03  2.9831000000e-03  1.5438000000e-03 -3.2750000000e-04 -3.7767000000e-03  1.7865000000e-03
-
-JOB 449
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9570100000e-01 -2.9577700000e-01  8.6099300000e-01  7.9896800000e-01  2.8554700000e-01 -4.4310900000e-01  3.2494800000e-01 -8.5403900000e-01  2.5133890000e+00 -4.5750100000e-01 -6.6059100000e-01  3.0297050000e+00  1.0301910000e+00 -3.8823400000e-01  2.9627100000e+00
-ENERGY -1.526593596685e+02
-FORCES  2.7937000000e-03 -5.8961000000e-03  1.4276900000e-02  1.2408000000e-03  5.0458000000e-03 -9.7865000000e-03 -1.3056000000e-03 -1.1877000000e-03  3.7924000000e-03 -4.0404000000e-03  4.4130000000e-03 -2.7425000000e-03  5.1919000000e-03 -8.4500000000e-04 -1.4693000000e-03 -3.8804000000e-03 -1.5301000000e-03 -4.0710000000e-03
-
-JOB 450
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6733300000e-01  7.2651800000e-01  5.0345800000e-01 -8.3307500000e-01  3.3491000000e-01 -3.3174200000e-01 -2.1042680000e+00  1.1914330000e+00 -1.1345150000e+00 -2.3624850000e+00  8.9988000000e-01 -2.0089020000e+00 -1.8145430000e+00  2.0952380000e+00 -1.2587200000e+00
-ENERGY -1.526588326387e+02
-FORCES -1.4191900000e-02  8.7154000000e-03 -5.9705000000e-03 -1.7560000000e-03 -8.2510000000e-04 -2.3078000000e-03  7.9116000000e-03 -3.5786000000e-03  4.2043000000e-03  7.5273000000e-03 -1.8218000000e-03 -1.1160000000e-03  1.4986000000e-03  2.5727000000e-03  4.3768000000e-03 -9.8960000000e-04 -5.0625000000e-03  8.1310000000e-04
-
-JOB 451
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1390500000e-01 -9.6820000000e-03 -9.5034900000e-01 -8.8093900000e-01 -3.4737700000e-01  1.3967000000e-01  1.8707700000e+00 -1.5261360000e+00  1.6221820000e+00  1.5793220000e+00 -7.2624100000e-01  1.1846220000e+00  2.8071310000e+00 -1.5771640000e+00  1.4302030000e+00
-ENERGY -1.526597909866e+02
-FORCES -3.5417000000e-03 -4.5081000000e-03 -1.9642000000e-03 -4.8600000000e-04  8.9800000000e-05  4.1782000000e-03  3.3221000000e-03  2.4041000000e-03 -1.9378000000e-03 -2.7781000000e-03  5.5088000000e-03 -4.9506000000e-03  7.0732000000e-03 -4.2562000000e-03  5.1954000000e-03 -3.5897000000e-03  7.6160000000e-04 -5.2100000000e-04
-
-JOB 452
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3156000000e-01 -3.1142300000e-01  5.3297900000e-01  1.9220900000e-01  9.2490500000e-01 -1.5439900000e-01 -3.6838700000e-01 -1.4736360000e+00 -2.4100790000e+00  4.6744300000e-01 -1.0701750000e+00 -2.6442550000e+00 -4.5395000000e-01 -1.3196560000e+00 -1.4692280000e+00
-ENERGY -1.526587967672e+02
-FORCES  2.0606000000e-03  3.2445000000e-03 -1.5600000000e-03 -3.2937000000e-03  1.1584000000e-03 -3.9794000000e-03  4.1730000000e-04 -4.5093000000e-03  1.4569000000e-03  3.6831000000e-03  7.7730000000e-03  9.8970000000e-03 -1.7332000000e-03 -1.3711000000e-03 -8.8020000000e-04 -1.1343000000e-03 -6.2955000000e-03 -4.9343000000e-03
-
-JOB 453
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7949800000e-01  3.6211700000e-01 -1.0763800000e-01 -8.1125000000e-02 -6.1461700000e-01  7.2931200000e-01  1.2516000000e-02 -1.8087460000e+00  1.9674940000e+00 -7.0176000000e-02 -1.9690110000e+00  2.9075520000e+00 -6.2593500000e-01 -2.3984590000e+00  1.5664330000e+00
-ENERGY -1.526579417840e+02
-FORCES -2.7960000000e-04 -7.0621000000e-03  1.2464300000e-02  2.1130000000e-03 -2.5830000000e-03  1.3710000000e-03 -3.4930000000e-03  7.4480000000e-04 -9.0625000000e-03 -4.7140000000e-04  3.9082000000e-03 -1.2561000000e-03 -5.5450000000e-04 -1.2963000000e-03 -5.0758000000e-03  2.6855000000e-03  6.2884000000e-03  1.5592000000e-03
-
-JOB 454
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6408000000e-01 -4.3157100000e-01  5.3756500000e-01  8.3205700000e-01 -2.4029000000e-01  4.0764300000e-01 -3.1174900000e-01 -4.6836400000e-01 -2.6074780000e+00 -3.9017700000e-01 -3.6578200000e-01 -1.6590270000e+00 -1.1582080000e+00 -1.8204400000e-01 -2.9506400000e+00
-ENERGY -1.526589382871e+02
-FORCES  3.3857000000e-03 -3.0177000000e-03 -4.3510000000e-03  3.2437000000e-03  1.6856000000e-03 -4.9293000000e-03 -5.2597000000e-03  1.0495000000e-03 -3.3440000000e-04  1.6052000000e-03  4.2869000000e-03  1.4951200000e-02 -4.9301000000e-03 -3.2479000000e-03 -8.7085000000e-03  1.9552000000e-03 -7.5630000000e-04  3.3721000000e-03
-
-JOB 455
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3596600000e-01  1.8897500000e-01 -6.6989000000e-02  2.3185700000e-01  2.4984100000e-01  8.9445700000e-01 -2.5113480000e+00  5.5946000000e-01 -1.2110300000e-01 -2.6855010000e+00  5.9693500000e-01  8.1937500000e-01 -3.2680270000e+00  1.0161900000e-01 -4.8723200000e-01
-ENERGY -1.526553736250e+02
-FORCES -2.0495100000e-02  4.7754000000e-03 -2.1102000000e-03  6.9894000000e-03 -2.0500000000e-04  5.7037000000e-03 -3.6089000000e-03 -2.9650000000e-04 -1.9512000000e-03  1.0445400000e-02 -5.9897000000e-03  2.2220000000e-04  3.6504000000e-03 -1.3922000000e-03 -5.4665000000e-03  3.0187000000e-03  3.1080000000e-03  3.6021000000e-03
-
-JOB 456
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1642900000e-01 -4.9581900000e-01  3.9638900000e-01 -6.4274600000e-01 -6.6426500000e-01 -2.4872000000e-01 -6.5155900000e-01  2.5070250000e+00  9.3734500000e-01 -1.5954610000e+00  2.6506280000e+00  1.0056150000e+00 -5.5954900000e-01  1.5594730000e+00  8.3779300000e-01
-ENERGY -1.526596286722e+02
-FORCES  4.7010000000e-04 -6.6650000000e-04  2.0260000000e-04 -4.4365000000e-03  2.1357000000e-03 -2.0462000000e-03  3.2680000000e-03  3.4156000000e-03  1.9530000000e-03  1.0348000000e-03 -1.1415700000e-02 -4.4632000000e-03  2.7083000000e-03 -1.8682000000e-03 -7.9200000000e-04 -3.0446000000e-03  8.3991000000e-03  5.1458000000e-03
-
-JOB 457
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3856400000e-01  5.9837700000e-01  1.1269400000e-01 -2.0369800000e-01 -4.8467300000e-01 -7.9989500000e-01 -2.8243740000e+00  1.6865370000e+00  2.2936180000e+00 -3.6378010000e+00  1.1840290000e+00  2.3389380000e+00 -3.0813590000e+00  2.5801590000e+00  2.5208440000e+00
-ENERGY -1.526560027195e+02
-FORCES -4.4815000000e-03  1.2340000000e-03 -1.5141000000e-03  4.2726000000e-03 -3.2690000000e-03 -2.6128000000e-03  7.2240000000e-04  1.7774000000e-03  3.0779000000e-03 -4.8222000000e-03  1.8302000000e-03  2.7162000000e-03  3.3956000000e-03  2.2985000000e-03 -5.7380000000e-04  9.1310000000e-04 -3.8710000000e-03 -1.0934000000e-03
-
-JOB 458
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0000000000e-05  9.5562400000e-01 -5.4913000000e-02 -4.4474000000e-02 -1.8649600000e-01  9.3780200000e-01 -7.2700600000e-01  1.3314800000e-01  2.6867870000e+00 -1.6174780000e+00  4.4791200000e-01  2.8423960000e+00 -6.2041300000e-01 -5.9670300000e-01  3.2968600000e+00
-ENERGY -1.526598322899e+02
-FORCES -2.9664000000e-03  3.8609000000e-03  1.3224400000e-02 -5.1430000000e-04 -2.3100000000e-03 -9.0570000000e-04  3.8076000000e-03 -3.0057000000e-03 -7.2130000000e-03 -4.0181000000e-03 -3.0290000000e-04 -1.8536000000e-03  4.5329000000e-03 -1.5368000000e-03  7.7860000000e-04 -8.4160000000e-04  3.2946000000e-03 -4.0307000000e-03
-
-JOB 459
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1250000000e-02  8.0124000000e-01  5.1567400000e-01  8.2577600000e-01 -4.6571800000e-01  1.3203000000e-01 -3.2433010000e+00 -1.1951610000e+00  3.2780500000e-01 -3.4864760000e+00 -1.9055480000e+00 -2.6586900000e-01 -2.2883450000e+00 -1.2392090000e+00  3.7629100000e-01
-ENERGY -1.526583593820e+02
-FORCES  5.2447000000e-03  3.7886000000e-03  2.1518000000e-03  2.6120000000e-04 -3.8715000000e-03 -2.2101000000e-03 -3.9975000000e-03  1.7660000000e-03 -4.7250000000e-04  4.9965000000e-03 -1.5287000000e-03 -2.8855000000e-03  8.4740000000e-04  2.3546000000e-03  2.2499000000e-03 -7.3523000000e-03 -2.5091000000e-03  1.1665000000e-03
-
-JOB 460
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1670600000e-01 -2.3877500000e-01  1.3736200000e-01  4.9635600000e-01 -6.9359300000e-01  4.3450200000e-01  8.7464300000e-01 -2.3977930000e+00  9.6471400000e-01  2.2183400000e-01 -2.8090400000e+00  3.9819100000e-01  1.6961840000e+00 -2.8351110000e+00  7.4098400000e-01
-ENERGY -1.526589306565e+02
-FORCES  3.7998000000e-03 -1.2372500000e-02  7.7796000000e-03  2.6610000000e-03 -7.7410000000e-04 -1.2105000000e-03 -4.0014000000e-03  6.9266000000e-03 -4.8192000000e-03 -7.9120000000e-04  4.9510000000e-04 -5.3017000000e-03  3.0441000000e-03  3.6925000000e-03  3.0656000000e-03 -4.7123000000e-03  2.0324000000e-03  4.8610000000e-04
-
-JOB 461
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0760000000e-03  9.1765600000e-01  2.7223600000e-01 -4.4865500000e-01  2.9940000000e-03 -8.4553600000e-01  1.8069500000e-01  2.6201270000e+00  7.5023900000e-01 -2.4595100000e-01  3.3663000000e+00  3.2901400000e-01  2.2747200000e-01  2.8612710000e+00  1.6753840000e+00
-ENERGY -1.526602894844e+02
-FORCES  4.0900000000e-05  1.4042300000e-02  1.7922000000e-03 -7.8980000000e-04 -9.2448000000e-03 -1.9273000000e-03  1.0751000000e-03  1.0730000000e-03  2.2982000000e-03 -1.6755000000e-03 -2.5604000000e-03  1.0250000000e-04  2.0685000000e-03 -3.2487000000e-03  2.8887000000e-03 -7.1920000000e-04 -6.1400000000e-05 -5.1543000000e-03
-
-JOB 462
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9863500000e-01  1.3693300000e-01 -2.9989400000e-01  6.0759000000e-02 -7.3193300000e-01  6.1385200000e-01  2.2974830000e+00  6.1247600000e-01 -1.1661530000e+00  3.0138440000e+00  9.9606400000e-01 -6.6026900000e-01  2.7297050000e+00  1.6913400000e-01 -1.8961280000e+00
-ENERGY -1.526593397959e+02
-FORCES  1.3942300000e-02  2.2947000000e-03 -6.7114000000e-03 -7.0302000000e-03 -1.7821000000e-03  6.0908000000e-03  1.7694000000e-03  2.2335000000e-03 -2.2866000000e-03 -4.7651000000e-03 -2.6113000000e-03  1.4192000000e-03 -3.4969000000e-03 -3.1584000000e-03 -2.8127000000e-03 -4.1930000000e-04  3.0236000000e-03  4.3007000000e-03
-
-JOB 463
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6619200000e-01  4.0661800000e-01 -7.8536400000e-01 -9.4114100000e-01  1.6330700000e-01 -6.1779000000e-02  1.1567210000e+00 -1.6286910000e+00  1.9944090000e+00  8.9861700000e-01 -9.3490100000e-01  1.3875570000e+00  2.0373610000e+00 -1.8776200000e+00  1.7138040000e+00
-ENERGY -1.526605765112e+02
-FORCES -1.8609000000e-03 -7.4860000000e-04 -3.6340000000e-04 -2.3930000000e-03 -1.8777000000e-03  3.3201000000e-03  4.6421000000e-03  2.4180000000e-04 -1.2769000000e-03 -2.2654000000e-03  5.7406000000e-03 -8.8347000000e-03  4.4535000000e-03 -4.6192000000e-03  6.9690000000e-03 -2.5763000000e-03  1.2632000000e-03  1.8580000000e-04
-
-JOB 464
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8750600000e-01 -6.6299200000e-01  4.8888800000e-01  9.1964800000e-01 -2.0955600000e-01  1.6299000000e-01  2.1768400000e+00 -1.7392110000e+00  6.0588700000e-01  2.5590230000e+00 -1.2362690000e+00  1.3250660000e+00  2.1780230000e+00 -2.6439130000e+00  9.1852800000e-01
-ENERGY -1.526567479899e+02
-FORCES  7.0111000000e-03 -1.0933700000e-02  2.6592000000e-03 -7.3940000000e-04  2.7120000000e-03 -1.0072000000e-03 -1.1197000000e-03  7.2710000000e-03  1.4655000000e-03 -1.0375000000e-03 -2.7348000000e-03  2.1979000000e-03 -4.4524000000e-03 -7.8420000000e-04 -4.7405000000e-03  3.3800000000e-04  4.4697000000e-03 -5.7490000000e-04
-
-JOB 465
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9028000000e-02 -2.0152300000e-01  9.3446000000e-01 -9.3371500000e-01 -4.3444000000e-02 -2.0620700000e-01 -3.2219470000e+00  3.4661800000e-01 -5.4671900000e-01 -4.0050050000e+00 -7.3573000000e-02 -1.9106300000e-01 -3.4242100000e+00  4.8736100000e-01 -1.4716590000e+00
-ENERGY -1.526601329347e+02
-FORCES -6.7787000000e-03 -3.6400000000e-05  2.5080000000e-03  1.8880000000e-04  4.3040000000e-04 -2.9832000000e-03  8.9549000000e-03 -1.0240000000e-03  4.9450000000e-04 -6.2847000000e-03 -3.9450000000e-04 -2.5245000000e-03  3.1778000000e-03  2.0969000000e-03 -1.9272000000e-03  7.4180000000e-04 -1.0724000000e-03  4.4323000000e-03
-
-JOB 466
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1292900000e-01 -1.0747900000e-01 -7.2732300000e-01  8.6450100000e-01 -1.0599900000e-01 -3.9703100000e-01 -1.1297710000e+00 -6.3831000000e-02 -2.4120760000e+00 -1.0799050000e+00  7.3330400000e-01 -2.9396370000e+00 -2.0423030000e+00 -3.4339200000e-01 -2.4853130000e+00
-ENERGY -1.526584986538e+02
-FORCES -4.7337000000e-03 -1.1878000000e-03 -1.8059600000e-02 -5.4560000000e-04 -1.3869000000e-03  8.0514000000e-03 -1.3219000000e-03  1.0167000000e-03  1.5830000000e-03  2.4820000000e-03  3.9551000000e-03  4.7324000000e-03 -1.0476000000e-03 -4.8384000000e-03  1.6917000000e-03  5.1667000000e-03  2.4413000000e-03  2.0011000000e-03
-
-JOB 467
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3407500000e-01  9.2615000000e-01 -6.0722000000e-02  3.6393400000e-01 -2.1240200000e-01 -8.5945900000e-01 -2.1282200000e-01  2.5712710000e+00 -9.8181900000e-01 -9.2462400000e-01  2.5039970000e+00 -1.6182490000e+00  5.8068200000e-01  2.4054500000e+00 -1.4908250000e+00
-ENERGY -1.526576187841e+02
-FORCES -9.9210000000e-04  1.3965200000e-02 -6.4741000000e-03  4.7740000000e-04 -8.6624000000e-03  2.4214000000e-03 -4.4670000000e-04  1.0474000000e-03  1.6363000000e-03  1.4443000000e-03 -3.5970000000e-03 -3.8096000000e-03  4.4486000000e-03 -1.2968000000e-03  3.5636000000e-03 -4.9314000000e-03 -1.4565000000e-03  2.6623000000e-03
-
-JOB 468
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8330100000e-01  1.2992600000e-01  8.1594800000e-01 -5.1966300000e-01 -6.3910600000e-01 -4.8757100000e-01  2.6607090000e+00 -5.6875000000e-02 -6.5387300000e-01  2.6192940000e+00  8.5701500000e-01 -3.7223300000e-01  1.8238730000e+00 -4.3107100000e-01 -3.7834500000e-01
-ENERGY -1.526584811458e+02
-FORCES  4.4260000000e-04 -5.1990000000e-04  1.9120000000e-04  2.0237000000e-03 -4.2360000000e-04 -4.6569000000e-03  4.0529000000e-03  2.5325000000e-03  3.3895000000e-03 -1.4411100000e-02  4.2374000000e-03  4.9672000000e-03  2.4605000000e-03 -1.6059000000e-03 -6.0550000000e-04  5.4314000000e-03 -4.2205000000e-03 -3.2854000000e-03
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-JOB 469
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2125900000e-01  6.2190000000e-03 -9.3125600000e-01 -7.8743900000e-01 -5.4133100000e-01  5.5969000000e-02 -1.4395790000e+00  6.0666300000e-01  3.7498610000e+00 -9.3346900000e-01 -2.0296800000e-01  3.8175450000e+00 -7.8275600000e-01  1.2896630000e+00  3.6144870000e+00
-ENERGY -1.526554526166e+02
-FORCES -2.9938000000e-03 -1.9798000000e-03 -3.7981000000e-03 -9.3300000000e-04 -2.6600000000e-05  3.8239000000e-03  3.8582000000e-03  1.7079000000e-03 -6.0510000000e-04  5.6405000000e-03 -3.1300000000e-05 -1.0789000000e-03 -2.5907000000e-03  2.8335000000e-03  4.3800000000e-05 -2.9811000000e-03 -2.5037000000e-03  1.6143000000e-03
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-JOB 470
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2909700000e-01 -4.3309200000e-01 -2.0312800000e-01 -6.5983700000e-01 -6.8632800000e-01 -9.9001000000e-02 -1.7169740000e+00 -2.3945840000e+00 -1.5503400000e-01 -2.1531310000e+00 -1.9465820000e+00 -8.7980500000e-01 -2.4299790000e+00 -2.6671140000e+00  4.2253300000e-01
-ENERGY -1.526593611578e+02
-FORCES -1.8265000000e-03 -1.0232300000e-02  9.3800000000e-04 -2.2930000000e-03  1.9755000000e-03  3.4700000000e-04  1.6245000000e-03  8.3079000000e-03 -4.3960000000e-03 -5.2914000000e-03 -1.6116000000e-03  1.2611000000e-03  4.8641000000e-03  5.6380000000e-04  5.6090000000e-03  2.9223000000e-03  9.9670000000e-04 -3.7591000000e-03
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-JOB 471
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2250000000e-03 -9.3252500000e-01 -2.1584700000e-01 -9.0310300000e-01  1.7981500000e-01  2.6134800000e-01  2.5276190000e+00  7.8124200000e-01  6.8273900000e-01  2.9058370000e+00  3.6585000000e-02  1.1503600000e+00  1.6574280000e+00  4.8214800000e-01  4.1903000000e-01
-ENERGY -1.526594953850e+02
-FORCES  1.1415000000e-03  1.5318000000e-03  2.6438000000e-03  5.7000000000e-04  4.9245000000e-03  2.3395000000e-03  3.5142000000e-03 -2.9475000000e-03 -2.2338000000e-03 -1.2521900000e-02 -4.2409000000e-03 -1.4847000000e-03 -2.0933000000e-03  1.2684000000e-03 -1.9301000000e-03  9.3894000000e-03 -5.3630000000e-04  6.6530000000e-04
-
-JOB 472
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7071700000e-01 -1.8048400000e-01 -9.2439900000e-01 -3.7128300000e-01  8.6988700000e-01  1.4723100000e-01 -3.9912900000e-01  2.7218710000e+00  9.5632600000e-01 -1.1997380000e+00  3.0245650000e+00  5.2780300000e-01  2.8286200000e-01  3.3115400000e+00  6.3475100000e-01
-ENERGY -1.526589979921e+02
-FORCES -1.6668000000e-03  8.3214000000e-03  1.4817000000e-03  2.5240000000e-04  2.1580000000e-03  3.2290000000e-03 -1.4618000000e-03 -9.0838000000e-03 -5.6560000000e-03  2.4296000000e-03  5.2832000000e-03 -7.6090000000e-04  4.7785000000e-03 -4.3161000000e-03  4.6380000000e-04 -4.3319000000e-03 -2.3626000000e-03  1.2424000000e-03
-
-JOB 473
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9495400000e-01 -5.8152000000e-02 -8.1723400000e-01 -5.7204700000e-01 -7.6738400000e-01 -1.0764000000e-02 -2.0760540000e+00 -1.5628960000e+00  8.8522200000e-01 -3.0097150000e+00 -1.4344210000e+00  7.1788100000e-01 -2.0011690000e+00 -2.4845520000e+00  1.1325590000e+00
-ENERGY -1.526592266790e+02
-FORCES -7.3216000000e-03 -6.1144000000e-03  1.7807000000e-03 -2.9663000000e-03 -1.2506000000e-03  2.7545000000e-03  8.5360000000e-03  3.5414000000e-03 -4.1493000000e-03 -2.3051000000e-03  1.0571000000e-03  5.2680000000e-04  4.2159000000e-03 -1.9322000000e-03  1.3197000000e-03 -1.5880000000e-04  4.6986000000e-03 -2.2324000000e-03
-
-JOB 474
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8554900000e-01  9.3709000000e-01  6.0543000000e-02 -8.3076900000e-01 -1.1051700000e-01  4.6243000000e-01  8.4190800000e-01 -1.8322340000e+00  3.7842080000e+00  2.6051400000e-01 -2.3841740000e+00  3.2611650000e+00  2.6171500000e-01 -1.1854500000e+00  4.1858020000e+00
-ENERGY -1.526532838970e+02
-FORCES -1.8762000000e-03  3.7027000000e-03  2.2644000000e-03 -1.0781000000e-03 -3.7898000000e-03 -3.9060000000e-04  3.1899000000e-03  4.6600000000e-05 -1.5707000000e-03 -4.2224000000e-03  2.6380000000e-04 -1.2926000000e-03  1.8592000000e-03  2.2491000000e-03  2.6921000000e-03  2.1275000000e-03 -2.4723000000e-03 -1.7025000000e-03
-
-JOB 475
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9848000000e-02 -4.3639700000e-01  8.4818300000e-01  8.7112500000e-01 -2.4278000000e-01 -3.1373800000e-01 -2.2872000000e-01  2.9794110000e+00  7.6324000000e-01  4.7675000000e-01  3.6108260000e+00  9.0416400000e-01  2.2005300000e-01  2.1461300000e+00  6.2014000000e-01
-ENERGY -1.526585417769e+02
-FORCES  6.6980000000e-04 -6.8472000000e-03  7.0920000000e-04  1.3539000000e-03  3.0711000000e-03 -4.1622000000e-03 -3.8852000000e-03  2.8656000000e-03  2.4161000000e-03  2.8920000000e-03 -4.8168000000e-03 -1.9895000000e-03 -2.0401000000e-03 -3.2892000000e-03 -7.8550000000e-04  1.0097000000e-03  9.0165000000e-03  3.8118000000e-03
-
-JOB 476
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4772900000e-01  5.0060000000e-01 -3.2639300000e-01  4.6784400000e-01  6.1104000000e-01  5.6919600000e-01  6.4059100000e-01 -1.5159810000e+00 -3.3623310000e+00  1.4787000000e-01 -2.1219350000e+00 -2.8089070000e+00  1.4436350000e+00 -1.9890450000e+00 -3.5804170000e+00
-ENERGY -1.526543702214e+02
-FORCES -5.7330000000e-04  5.2343000000e-03 -1.3990000000e-04  2.5891000000e-03 -2.2860000000e-03  2.0168000000e-03 -1.9220000000e-03 -2.5033000000e-03 -2.0781000000e-03  1.5416000000e-03 -4.0003000000e-03  3.3178000000e-03  1.4494000000e-03  1.7466000000e-03 -3.6311000000e-03 -3.0849000000e-03  1.8088000000e-03  5.1460000000e-04
-
-JOB 477
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2135900000e-01  8.5582000000e-01 -7.9126000000e-02  1.0983500000e-01 -1.2721500000e-01  9.4232900000e-01 -2.5206390000e+00 -1.7002400000e+00 -1.5518400000e-01 -2.8280230000e+00 -1.8454450000e+00  7.3961300000e-01 -1.6576220000e+00 -1.2996630000e+00 -5.0437000000e-02
-ENERGY -1.526594837955e+02
-FORCES  1.4315000000e-03  6.4956000000e-03  2.3352000000e-03  2.0375000000e-03 -4.9102000000e-03  1.1558000000e-03 -3.2024000000e-03 -9.9010000000e-04 -5.1546000000e-03  6.8025000000e-03  3.1621000000e-03  1.9367000000e-03  1.9843000000e-03  1.3063000000e-03 -2.7103000000e-03 -9.0535000000e-03 -5.0637000000e-03  2.4371000000e-03
-
-JOB 478
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2258900000e-01  5.4477400000e-01  7.1790600000e-01  2.4920200000e-01  4.7527700000e-01 -7.9261700000e-01  1.1962900000e+00  1.4866820000e+00 -2.1419270000e+00  8.2535700000e-01  1.1161920000e+00 -2.9427870000e+00  2.1278420000e+00  1.2712290000e+00 -2.1868840000e+00
-ENERGY -1.526609136771e+02
-FORCES  5.7082000000e-03  9.1935000000e-03 -6.4890000000e-03 -5.5050000000e-04 -2.0368000000e-03 -1.6238000000e-03 -5.5593000000e-03 -6.7994000000e-03  5.0408000000e-03  3.6676000000e-03 -2.3575000000e-03 -2.3302000000e-03  1.6020000000e-03  7.4670000000e-04  5.6460000000e-03 -4.8681000000e-03  1.2534000000e-03 -2.4380000000e-04
-
-JOB 479
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6682500000e-01 -4.8760000000e-03 -4.0598400000e-01 -1.7224400000e-01 -1.1168800000e-01  9.3492800000e-01 -2.1495560000e+00 -6.8863000000e-02 -1.3491690000e+00 -2.7395610000e+00  1.6272000000e-02 -6.0025100000e-01 -2.0775120000e+00 -1.0126230000e+00 -1.4918570000e+00
-ENERGY -1.526520637802e+02
-FORCES -2.0905400000e-02  1.4819000000e-03 -1.4245800000e-02  3.4737000000e-03 -4.8644000000e-03  9.1674000000e-03 -3.5730000000e-03  8.3900000000e-05 -4.3595000000e-03  1.0015900000e-02 -2.5581000000e-03  6.9093000000e-03  9.3200000000e-03 -9.3590000000e-04 -1.4326000000e-03  1.6688000000e-03  6.7927000000e-03  3.9611000000e-03
-
-JOB 480
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5375800000e-01  4.8783800000e-01  5.0084600000e-01 -2.5988700000e-01  1.1875400000e-01 -9.1355800000e-01 -2.6034500000e-01  3.6158160000e+00  3.6875000000e-02 -8.8490100000e-01  2.9055920000e+00  1.8433000000e-01 -6.3391200000e-01  4.3643430000e+00  5.0204900000e-01
-ENERGY -1.526519060727e+02
-FORCES -2.3785000000e-03  2.1471000000e-03 -2.0469000000e-03  1.8818000000e-03 -2.7890000000e-04 -2.6082000000e-03  4.6660000000e-04 -5.5710000000e-04  4.4337000000e-03 -3.5028000000e-03  7.6060000000e-04  2.7859000000e-03  1.8058000000e-03  1.3963000000e-03 -5.3300000000e-04  1.7271000000e-03 -3.4679000000e-03 -2.0316000000e-03
-
-JOB 481
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0343000000e-01  5.1730700000e-01 -5.5902000000e-02 -2.8647000000e-01 -8.5397900000e-01  3.2386100000e-01 -1.9684560000e+00 -1.8810980000e+00  5.8695000000e-01 -2.4870520000e+00 -2.6465710000e+00  3.3928000000e-01 -2.5725280000e+00 -1.1436730000e+00  5.0016700000e-01
-ENERGY -1.526568229559e+02
-FORCES -9.0814000000e-03 -8.1428000000e-03  1.8800000000e-03  8.6490000000e-04 -1.1833000000e-03  4.1130000000e-04  4.3855000000e-03  5.7803000000e-03 -4.7760000000e-04 -1.7306000000e-03  1.4595000000e-03 -2.7453000000e-03  1.4431000000e-03  4.3658000000e-03  1.0541000000e-03  4.1186000000e-03 -2.2796000000e-03 -1.2250000000e-04
-
-JOB 482
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5248300000e-01  2.4205100000e-01 -8.9100800000e-01 -1.8733200000e-01  7.7968800000e-01  5.2270900000e-01  3.0064100000e-01 -2.3979670000e+00  1.2210520000e+00 -5.8809600000e-01 -2.6101520000e+00  9.3582200000e-01  4.8989100000e-01 -1.5547500000e+00  8.0946700000e-01
-ENERGY -1.526592635467e+02
-FORCES -4.2790000000e-04 -3.3587000000e-03  1.8175000000e-03  5.1700000000e-05 -7.8000000000e-05  4.9740000000e-03  5.1720000000e-04 -3.4945000000e-03 -3.7127000000e-03 -4.7590000000e-03  1.2756100000e-02 -8.2691000000e-03  1.8180000000e-03 -9.9610000000e-04  1.0342000000e-03  2.8000000000e-03 -4.8287000000e-03  4.1562000000e-03
-
-JOB 483
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1225900000e-01  8.4158200000e-01 -3.3236400000e-01 -4.2115600000e-01 -4.1415700000e-01 -7.5321500000e-01  9.5298100000e-01 -1.7796640000e+00  2.4142500000e+00  3.8272800000e-01 -2.3016430000e+00  1.8498190000e+00  9.8700100000e-01 -9.2094600000e-01  1.9927330000e+00
-ENERGY -1.526586383799e+02
-FORCES -1.1015000000e-03  1.5062000000e-03 -5.3471000000e-03 -1.2818000000e-03 -3.9474000000e-03  1.6129000000e-03  1.8120000000e-03  1.9428000000e-03  3.2626000000e-03 -3.9643000000e-03  3.9091000000e-03 -7.6866000000e-03  1.7608000000e-03 -5.1310000000e-04  2.6144000000e-03  2.7749000000e-03 -2.8976000000e-03  5.5439000000e-03
-
-JOB 484
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5598300000e-01  9.2227400000e-01 -1.0711000000e-02  5.9857500000e-01 -4.2236800000e-01 -6.1607200000e-01  1.1821850000e+00  2.5891570000e+00 -5.1970200000e-01  2.0514980000e+00  2.4733760000e+00 -1.3613900000e-01  9.1146100000e-01  3.4639420000e+00 -2.4096800000e-01
-ENERGY -1.526607661414e+02
-FORCES  4.8513000000e-03  9.1888000000e-03 -4.9634000000e-03 -2.6487000000e-03 -8.6436000000e-03  3.5986000000e-03 -1.1839000000e-03  6.8230000000e-04  2.3881000000e-03  2.1067000000e-03  3.3471000000e-03  1.7031000000e-03 -5.1837000000e-03 -1.4320000000e-04 -1.7595000000e-03  2.0584000000e-03 -4.4314000000e-03 -9.6680000000e-04
-
-JOB 485
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2474800000e-01 -3.3561700000e-01 -6.4287100000e-01  5.4123300000e-01  2.7294200000e-01  7.4081100000e-01  2.3283120000e+00 -9.8546700000e-01 -1.6612810000e+00  3.0542250000e+00 -6.0316900000e-01 -2.1543640000e+00  2.4079940000e+00 -1.9278740000e+00 -1.8087660000e+00
-ENERGY -1.526613051176e+02
-FORCES  8.6613000000e-03 -1.4500000000e-03 -2.6262000000e-03 -7.6135000000e-03  1.5377000000e-03  4.7523000000e-03 -2.1832000000e-03 -4.5970000000e-04 -1.6863000000e-03  3.5642000000e-03 -1.3507000000e-03 -2.9784000000e-03 -2.5189000000e-03 -2.9756000000e-03  2.1446000000e-03  9.0200000000e-05  4.6983000000e-03  3.9410000000e-04
-
-JOB 486
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7135000000e-02 -3.1505900000e-01 -9.0136700000e-01 -1.6301800000e-01  9.4117800000e-01 -6.1980000000e-02  1.4884760000e+00  4.0557740000e+00  7.7793600000e-01  1.6927730000e+00  4.9430910000e+00  4.8270100000e-01  8.7901600000e-01  3.7187240000e+00  1.2128700000e-01
-ENERGY -1.526526028567e+02
-FORCES -6.8800000000e-04  2.2408000000e-03 -3.5258000000e-03  2.5090000000e-04  1.4979000000e-03  3.7858000000e-03  5.8450000000e-04 -3.0788000000e-03 -4.2650000000e-04 -1.0993000000e-03  2.9661000000e-03 -3.8129000000e-03 -8.4740000000e-04 -3.8272000000e-03  1.2947000000e-03  1.7994000000e-03  2.0130000000e-04  2.6848000000e-03
-
-JOB 487
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2902100000e-01 -8.1920400000e-01  2.4713800000e-01  5.3791200000e-01  3.4749600000e-01 -7.1142700000e-01  1.5994100000e+00 -2.5919180000e+00  4.2110000000e-01  1.7018250000e+00 -2.5130460000e+00  1.3695310000e+00  7.6747400000e-01 -3.0513540000e+00  3.0693600000e-01
-ENERGY -1.526597537228e+02
-FORCES  7.9247000000e-03 -5.4523000000e-03 -2.1281000000e-03 -7.3656000000e-03  5.2283000000e-03  1.1968000000e-03 -2.3718000000e-03 -3.4920000000e-04  2.1695000000e-03 -9.2800000000e-05 -5.8106000000e-03  3.5036000000e-03 -1.8702000000e-03  1.0355000000e-03 -5.5868000000e-03  3.7757000000e-03  5.3482000000e-03  8.4510000000e-04
-
-JOB 488
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7630700000e-01 -2.5748200000e-01 -9.0490400000e-01  9.5431100000e-01 -1.6197000000e-02  7.2531000000e-02  5.5667000000e-01 -2.6609090000e+00  3.4413500000e-01  6.6073200000e-01 -2.6845080000e+00  1.2953690000e+00  2.2190200000e-01 -1.7830480000e+00  1.6104400000e-01
-ENERGY -1.526561510521e+02
-FORCES  5.0225000000e-03 -1.9258000000e-03 -3.1991000000e-03  1.4620000000e-03 -3.7380000000e-03  8.1245000000e-03 -6.7774000000e-03 -3.8809000000e-03  8.0310000000e-04 -6.2802000000e-03  1.4322200000e-02  3.4363000000e-03  7.1000000000e-04  4.9220000000e-04 -3.0233000000e-03  5.8631000000e-03 -5.2697000000e-03 -6.1415000000e-03
-
-JOB 489
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6137300000e-01 -7.8286400000e-01 -3.0081700000e-01 -6.9283900000e-01  6.4171400000e-01  1.5623600000e-01  8.0923800000e-01 -5.7449200000e-01  2.5731660000e+00  2.5222400000e-01  6.9590000000e-03  3.0907390000e+00  6.2979100000e-01 -3.3268500000e-01  1.6645620000e+00
-ENERGY -1.526596517372e+02
-FORCES -3.8015000000e-03 -2.2749000000e-03  1.9804000000e-03  2.0445000000e-03  4.8128000000e-03  2.1078000000e-03  3.9225000000e-03 -4.1272000000e-03  1.2015000000e-03 -4.4495000000e-03  4.8522000000e-03 -1.3224600000e-02  8.1120000000e-04 -1.2623000000e-03 -2.6964000000e-03  1.4728000000e-03 -2.0007000000e-03  1.0631300000e-02
-
-JOB 490
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4422600000e-01  6.2935700000e-01  3.2421400000e-01  8.2333400000e-01  4.8782500000e-01 -1.9490000000e-02 -5.7279600000e-01 -2.6065130000e+00  8.5899200000e-01 -3.2793100000e-01 -2.4502340000e+00  1.7710500000e+00 -5.8069700000e-01 -1.7363980000e+00  4.6015600000e-01
-ENERGY -1.526594820731e+02
-FORCES  3.0280000000e-03 -1.1330000000e-04  1.3044000000e-03  3.4741000000e-03 -4.2146000000e-03 -7.1950000000e-04 -4.7864000000e-03 -4.3820000000e-04  5.7870000000e-04  4.5816000000e-03  1.2011500000e-02 -1.4835000000e-03 -8.9980000000e-04 -7.6480000000e-04 -2.0790000000e-03 -5.3974000000e-03 -6.4807000000e-03  2.3989000000e-03
-
-JOB 491
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3099800000e-01 -2.5174300000e-01  4.0286500000e-01  1.4234200000e-01  8.9655600000e-01 -3.0357500000e-01 -2.3756570000e+00 -1.6104940000e+00  9.2537900000e-01 -2.0940840000e+00 -2.5223440000e+00  9.9940200000e-01 -1.5644380000e+00 -1.1183120000e+00  7.9923600000e-01
-ENERGY -1.526603257416e+02
-FORCES  3.0149000000e-03  4.6127000000e-03 -1.2371000000e-03 -4.5638000000e-03  7.4940000000e-04 -1.5668000000e-03  1.0378000000e-03 -4.2136000000e-03  1.3862000000e-03  7.0577000000e-03  2.1586000000e-03 -2.9496000000e-03 -2.7680000000e-04  3.1088000000e-03 -3.8100000000e-05 -6.2698000000e-03 -6.4159000000e-03  4.4054000000e-03
-
-JOB 492
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8660000000e-03 -5.4746800000e-01 -7.8515200000e-01 -9.7814000000e-02 -6.1802800000e-01  7.2436600000e-01 -6.6323000000e-02  2.5354450000e+00  1.2269290000e+00  2.7837000000e-02  1.7468570000e+00  6.9261200000e-01 -3.9371900000e-01  3.1990540000e+00  6.1975000000e-01
-ENERGY -1.526611804475e+02
-FORCES -5.4660000000e-04 -1.0132000000e-03  6.4060000000e-04 -4.0140000000e-04  9.8250000000e-04  4.3285000000e-03  6.7280000000e-04  2.4543000000e-03 -4.5282000000e-03 -6.3310000000e-04 -7.4184000000e-03 -7.5850000000e-03 -1.4300000000e-04  7.1970000000e-03  5.8718000000e-03  1.0513000000e-03 -2.2023000000e-03  1.2722000000e-03
-
-JOB 493
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3809700000e-01 -2.3962800000e-01  5.6037800000e-01 -1.0619600000e-01  9.4198200000e-01  1.3275500000e-01  3.7498790000e+00 -8.8161000000e-01 -1.6834480000e+00  3.3113490000e+00 -1.2334930000e+00 -2.4581110000e+00  4.6053230000e+00 -5.9357100000e-01 -2.0020100000e+00
-ENERGY -1.526552048335e+02
-FORCES  3.8383000000e-03  2.7225000000e-03  2.5567000000e-03 -4.1190000000e-03  1.0793000000e-03 -1.4971000000e-03  7.7600000000e-05 -3.6152000000e-03 -4.6240000000e-04  1.1910000000e-03 -4.1820000000e-04 -4.9977000000e-03  2.5119000000e-03  1.3061000000e-03  3.0440000000e-03 -3.4998000000e-03 -1.0745000000e-03  1.3565000000e-03
-
-JOB 494
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1616300000e-01 -3.7953200000e-01  5.0921300000e-01 -1.0824300000e-01  9.4563300000e-01  1.0145500000e-01 -4.7213600000e-01  2.5404230000e+00  6.7325700000e-01 -8.5393500000e-01  2.4893960000e+00  1.5495310000e+00 -1.1651620000e+00  2.9172630000e+00  1.3109500000e-01
-ENERGY -1.526581804602e+02
-FORCES -4.4683000000e-03  1.7240600000e-02  5.7507000000e-03  1.5490000000e-03  1.7442000000e-03 -6.9880000000e-04  5.1880000000e-04 -8.7930000000e-03 -3.6690000000e-03 -1.8412000000e-03 -6.0792000000e-03  7.6380000000e-04  8.2130000000e-04 -3.7420000000e-04 -5.5125000000e-03  3.4204000000e-03 -3.7384000000e-03  3.3658000000e-03
-
-JOB 495
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5374000000e-01  4.3491400000e-01 -8.1406200000e-01  6.9232200000e-01 -6.0831500000e-01 -2.5860300000e-01  1.4857000000e+00 -2.0653400000e+00 -1.2891400000e+00  1.8779600000e+00 -2.5716650000e+00 -5.7780300000e-01  1.2963230000e+00 -2.7126370000e+00 -1.9683860000e+00
-ENERGY -1.526589926305e+02
-FORCES  4.8272000000e-03 -6.6866000000e-03 -9.3194000000e-03 -1.9330000000e-04 -4.8620000000e-04  2.5671000000e-03 -7.7300000000e-04  4.3401000000e-03  7.1355000000e-03 -3.1183000000e-03 -2.9276000000e-03 -6.5160000000e-04 -2.8284000000e-03  3.7803000000e-03 -3.0288000000e-03  2.0858000000e-03  1.9800000000e-03  3.2971000000e-03
-
-JOB 496
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2010000000e-03  5.3917300000e-01  7.9089000000e-01  8.8414100000e-01  9.8914000000e-02 -3.5318800000e-01 -2.2858200000e+00 -1.0486600000e+00 -1.0393690000e+00 -1.3666260000e+00 -8.2417300000e-01 -8.9473500000e-01 -2.7738290000e+00 -3.1636900000e-01 -6.6276600000e-01
-ENERGY -1.526587148349e+02
-FORCES -4.0931000000e-03 -2.6860000000e-04  6.4410000000e-04  1.3880000000e-03 -1.7168000000e-03 -4.1936000000e-03 -4.6202000000e-03 -3.0800000000e-04  2.1730000000e-03  1.1127000000e-02  8.2836000000e-03  6.7559000000e-03 -3.9519000000e-03 -3.9668000000e-03 -4.8450000000e-03  1.5020000000e-04 -2.0234000000e-03 -5.3440000000e-04
-
-JOB 497
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3978100000e-01 -2.9236700000e-01 -5.3242500000e-01 -3.7782000000e-01  1.7049100000e-01  8.6279600000e-01 -2.1534390000e+00 -8.5620000000e-01 -1.3741480000e+00 -2.6131870000e+00 -1.5633090000e+00 -9.2153200000e-01 -2.0955710000e+00 -1.1507480000e+00 -2.2830610000e+00
-ENERGY -1.526599547375e+02
-FORCES -1.4251600000e-02 -3.9111000000e-03 -7.1410000000e-03  7.7567000000e-03  2.4455000000e-03  5.1975000000e-03  1.2430000000e-04 -1.4334000000e-03 -2.4377000000e-03  4.7812000000e-03 -1.4114000000e-03  1.8154000000e-03  2.4826000000e-03  3.7367000000e-03 -2.6443000000e-03 -8.9320000000e-04  5.7360000000e-04  5.2101000000e-03
-
-JOB 498
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2085800000e-01  5.0926600000e-01  3.7046500000e-01 -1.3605200000e-01 -7.1267600000e-01  6.2435100000e-01 -2.0121840000e+00  1.6983500000e+00  6.8715000000e-01 -1.2046080000e+00  1.2734410000e+00  3.9817600000e-01 -1.8662890000e+00  2.6295770000e+00  5.2052600000e-01
-ENERGY -1.526586635767e+02
-FORCES -1.8201000000e-03 -1.7543000000e-03  4.9896000000e-03 -7.3751000000e-03  4.5700000000e-05 -1.4906000000e-03  1.5323000000e-03  4.4434000000e-03 -3.2645000000e-03  9.8277000000e-03 -8.1614000000e-03 -5.9061000000e-03 -4.2242000000e-03  9.3055000000e-03  5.5898000000e-03  2.0594000000e-03 -3.8789000000e-03  8.1700000000e-05
-
-JOB 499
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3403300000e-01  6.2463700000e-01  3.5222500000e-01 -8.5304000000e-01  3.6946100000e-01  2.2815100000e-01 -2.6470950000e+00  5.2506800000e-01  9.1539800000e-01 -3.1832960000e+00  6.3802200000e-01  1.3056500000e-01 -2.6065360000e+00  1.3979980000e+00  1.3060140000e+00
-ENERGY -1.526591827520e+02
-FORCES -9.3131000000e-03  2.6610000000e-03  5.2493000000e-03 -3.3667000000e-03 -1.2419000000e-03 -5.1600000000e-04  1.0044000000e-02  1.4814000000e-03 -5.0085000000e-03 -4.0440000000e-03  1.8456000000e-03 -3.2170000000e-04  4.4552000000e-03 -5.0000000000e-06  4.0741000000e-03  2.2246000000e-03 -4.7412000000e-03 -3.4773000000e-03
-
-JOB 500
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3522500000e-01  9.3555300000e-01 -1.5062000000e-01 -2.6829100000e-01 -4.1620100000e-01 -8.1916300000e-01 -2.1734790000e+00  1.3357400000e+00 -3.2039390000e+00 -1.6939920000e+00  5.0869700000e-01 -3.1557370000e+00 -2.2502300000e+00  1.5143730000e+00 -4.1411860000e+00
-ENERGY -1.526539712105e+02
-FORCES -2.1662000000e-03  2.9984000000e-03 -3.5249000000e-03  1.2571000000e-03 -4.4715000000e-03  9.6850000000e-04  1.0048000000e-03  1.3006000000e-03  2.2832000000e-03  6.5820000000e-04 -2.3610000000e-03 -5.0872000000e-03 -1.0601000000e-03  3.3711000000e-03  1.2677000000e-03  3.0620000000e-04 -8.3750000000e-04  4.0926000000e-03
-
-JOB 501
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0815700000e-01  9.2159400000e-01 -2.3494400000e-01 -8.5815400000e-01 -2.3801200000e-01 -3.5093300000e-01  3.3930770000e+00  3.6827200000e-01 -2.2004750000e+00  3.3303470000e+00  8.0882700000e-01 -1.3530030000e+00  2.9515910000e+00 -4.7065600000e-01 -2.0681000000e+00
-ENERGY -1.526558532904e+02
-FORCES -4.3925000000e-03  2.9731000000e-03 -2.2729000000e-03  2.3860000000e-04 -4.0407000000e-03  1.2320000000e-03  3.6073000000e-03  9.8490000000e-04  1.5208000000e-03 -2.3995000000e-03 -2.6158000000e-03  4.7579000000e-03  3.4430000000e-04 -7.2600000000e-04 -3.6976000000e-03  2.6018000000e-03  3.4246000000e-03 -1.5402000000e-03
-
-JOB 502
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0134000000e-02 -2.5190700000e-01  9.1904900000e-01  5.2822500000e-01  7.9798900000e-01  2.0580000000e-02  9.9825000000e-02 -6.0807000000e-01  2.6573250000e+00 -7.9160200000e-01 -4.1843400000e-01  2.9499460000e+00  5.9260000000e-01  1.8768700000e-01  2.8577650000e+00
-ENERGY -1.526573690245e+02
-FORCES  2.4906000000e-03 -3.6357000000e-03  1.5803900000e-02 -2.6053000000e-03  5.8297000000e-03 -8.5519000000e-03 -1.4636000000e-03 -2.2617000000e-03  1.6849000000e-03 -1.6330000000e-04  3.8429000000e-03 -2.7640000000e-04  5.3972000000e-03 -1.5670000000e-04 -4.4185000000e-03 -3.6556000000e-03 -3.6185000000e-03 -4.2419000000e-03
-
-JOB 503
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4248100000e-01 -1.6503000000e-01 -2.6952000000e-02  8.1995000000e-02  8.5454700000e-01  4.2338800000e-01  2.0382580000e+00 -1.6761270000e+00 -1.6215930000e+00  1.4441400000e+00 -9.4972100000e-01 -1.4329400000e+00  1.7971330000e+00 -1.9606290000e+00 -2.5031540000e+00
-ENERGY -1.526595427197e+02
-FORCES -4.2077000000e-03  2.3343000000e-03  3.6354000000e-03  4.1542000000e-03  1.4259000000e-03  7.7200000000e-05 -9.6160000000e-04 -3.9005000000e-03 -1.9889000000e-03 -5.3086000000e-03  3.7158000000e-03  5.8540000000e-04  6.0713000000e-03 -4.6586000000e-03 -5.5248000000e-03  2.5240000000e-04  1.0832000000e-03  3.2157000000e-03
-
-JOB 504
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2566000000e-01  9.8693000000e-02  6.1636700000e-01 -4.2203200000e-01 -1.6520200000e-01 -8.4310700000e-01 -2.2115730000e+00 -1.1415160000e+00 -1.9298190000e+00 -2.9695170000e+00 -5.6524100000e-01 -1.8315320000e+00 -2.5844040000e+00 -2.0215610000e+00 -1.9822510000e+00
-ENERGY -1.526591097422e+02
-FORCES -7.2381000000e-03 -3.1758000000e-03 -3.5001000000e-03  2.5611000000e-03  5.1290000000e-04 -1.0847000000e-03  5.0637000000e-03  4.2830000000e-03  4.5459000000e-03 -4.8769000000e-03 -3.4704000000e-03 -4.5170000000e-04  3.9624000000e-03 -2.4966000000e-03  4.7560000000e-04  5.2790000000e-04  4.3469000000e-03  1.4900000000e-05
-
-JOB 505
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3003400000e-01 -8.8121100000e-01 -2.9459000000e-01 -8.0067000000e-01  2.1206400000e-01 -4.7978000000e-01  1.6294230000e+00  2.6064400000e+00 -9.9021200000e-01  1.3571520000e+00  1.7350890000e+00 -7.0237900000e-01  1.1827150000e+00  3.2068140000e+00 -3.9335800000e-01
-ENERGY -1.526605123976e+02
-FORCES -4.3488000000e-03 -5.2193000000e-03 -2.3040000000e-03 -1.2860000000e-03  4.3231000000e-03  1.0748000000e-03  4.3202000000e-03 -7.2050000000e-04  2.3024000000e-03 -3.7572000000e-03 -4.1875000000e-03  5.3785000000e-03  3.8282000000e-03  7.3018000000e-03 -3.9465000000e-03  1.2435000000e-03 -1.4977000000e-03 -2.5052000000e-03
-
-JOB 506
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5992400000e-01 -2.7140200000e-01  6.3802300000e-01 -3.5196100000e-01  8.0396400000e-01 -3.8209600000e-01 -2.2597610000e+00 -3.6452600000e-01  1.5147130000e+00 -3.0323620000e+00  1.8413900000e-01  1.6499360000e+00 -2.5992910000e+00 -1.2594530000e+00  1.5071550000e+00
-ENERGY -1.526590768449e+02
-FORCES -1.3486400000e-02  1.6414000000e-03  6.9082000000e-03  6.6608000000e-03 -3.0878000000e-03 -3.0172000000e-03  1.5886000000e-03 -1.4104000000e-03  3.0460000000e-04  7.9000000000e-04  1.6554000000e-03 -3.4216000000e-03  2.5816000000e-03 -3.7793000000e-03 -6.5010000000e-04  1.8653000000e-03  4.9808000000e-03 -1.2390000000e-04
-
-JOB 507
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2994000000e-01 -9.1503800000e-01 -1.6144400000e-01 -6.7672400000e-01  5.0135600000e-01 -4.5488400000e-01  2.4714410000e+00  2.1645500000e-01 -1.4154730000e+00  3.0796790000e+00 -4.5999400000e-01 -1.1176570000e+00  1.7691310000e+00  2.1088300000e-01 -7.6511800000e-01
-ENERGY -1.526611513920e+02
-FORCES -3.3788000000e-03 -1.2625000000e-03 -4.6951000000e-03  1.6533000000e-03  4.6011000000e-03  7.8200000000e-04  2.8939000000e-03 -3.1775000000e-03  2.4180000000e-03 -7.6263000000e-03 -1.3302000000e-03  7.3923000000e-03 -3.0718000000e-03  1.4007000000e-03 -5.1070000000e-04  9.5297000000e-03 -2.3160000000e-04 -5.3866000000e-03
-
-JOB 508
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9065200000e-01  6.0863700000e-01  4.4376000000e-01  7.8059500000e-01  5.1980000000e-01 -1.9160100000e-01 -2.1492560000e+00  1.9456970000e+00  8.5298800000e-01 -3.0360320000e+00  1.6061060000e+00  9.7356100000e-01 -2.2615850000e+00  2.7193730000e+00  3.0068400000e-01
-ENERGY -1.526611628686e+02
-FORCES -3.6159000000e-03  7.1941000000e-03  2.6795000000e-03  7.3197000000e-03 -6.5800000000e-03 -2.4164000000e-03 -2.6994000000e-03 -1.2343000000e-03  3.3410000000e-04 -4.9029000000e-03  1.5827000000e-03 -2.6563000000e-03  3.8332000000e-03  2.3911000000e-03 -7.6640000000e-04  6.5300000000e-05 -3.3535000000e-03  2.8254000000e-03
-
-JOB 509
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9849300000e-01 -5.4413100000e-01  7.2873600000e-01  7.8380900000e-01  1.4092500000e-01 -5.3105000000e-01 -2.6498000000e-02 -9.2205100000e-01  2.5471990000e+00  8.0769000000e-01 -5.5942800000e-01  2.8453040000e+00  1.7494400000e-01 -1.8287730000e+00  2.3158790000e+00
-ENERGY -1.526536613262e+02
-FORCES -1.1500000000e-04 -3.6782000000e-03  1.1412900000e-02  4.6146000000e-03 -1.5744000000e-03 -8.2329000000e-03 -1.9551000000e-03 -1.3729000000e-03  4.7142000000e-03  1.2931000000e-03  1.0931000000e-03  5.7810000000e-04 -4.0224000000e-03 -2.3084000000e-03 -4.8413000000e-03  1.8490000000e-04  7.8407000000e-03 -3.6311000000e-03
-
-JOB 510
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.9188000000e-02 -9.2179200000e-01  2.3810200000e-01 -2.0248000000e-01 -1.4207000000e-02 -9.3543100000e-01  9.7322800000e-01  7.4353000000e-02 -3.0013350000e+00  1.8565170000e+00 -2.9162800000e-01 -2.9556260000e+00  1.1030060000e+00  9.8015900000e-01 -3.2822330000e+00
-ENERGY -1.526590827190e+02
-FORCES  7.9220000000e-04 -3.4042000000e-03 -6.8361000000e-03  8.0200000000e-05  3.0946000000e-03 -5.8830000000e-04 -2.6226000000e-03  3.7200000000e-04  7.8204000000e-03  6.1812000000e-03  2.6449000000e-03 -5.1860000000e-04 -3.7879000000e-03  1.4296000000e-03 -1.0145000000e-03 -6.4310000000e-04 -4.1368000000e-03  1.1372000000e-03
-
-JOB 511
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5346500000e-01  1.6899300000e-01 -3.9908700000e-01  1.7066700000e-01 -6.7847200000e-01  6.5328400000e-01  3.2852100000e-01 -2.0316870000e+00  1.8112480000e+00  8.7871500000e-01 -2.6631240000e+00  1.3477770000e+00 -2.5683800000e-01 -2.5694000000e+00  2.3445880000e+00
-ENERGY -1.526596865504e+02
-FORCES  2.2361000000e-03 -8.4289000000e-03  9.3402000000e-03 -2.0688000000e-03 -2.3251000000e-03  1.8310000000e-03  2.1648000000e-03  5.6709000000e-03 -8.1084000000e-03 -3.5880000000e-03 -4.4900000000e-05 -2.2671000000e-03 -2.9622000000e-03  4.2903000000e-03  1.7606000000e-03  4.2181000000e-03  8.3780000000e-04 -2.5563000000e-03
-
-JOB 512
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8237400000e-01  9.1274000000e-02  8.2171500000e-01 -4.2639700000e-01 -8.5446200000e-01  6.5665000000e-02  5.2304000000e-01  7.6229500000e-01  2.7470370000e+00  8.2350200000e-01 -5.3979000000e-02  3.1466020000e+00  1.1093300000e+00  1.4319410000e+00  3.0992730000e+00
-ENERGY -1.526580285148e+02
-FORCES  1.6660000000e-04  1.3201000000e-03  9.7587000000e-03  2.8260000000e-04 -5.5008000000e-03 -7.9245000000e-03  1.8716000000e-03  2.5596000000e-03  5.2830000000e-04  1.8938000000e-03  1.9893000000e-03  3.9478000000e-03 -1.3724000000e-03  3.5394000000e-03 -4.9410000000e-03 -2.8422000000e-03 -3.9076000000e-03 -1.3693000000e-03
-
-JOB 513
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2202100000e-01  4.4935700000e-01  1.9644600000e-01  2.9740000000e-02 -1.5271800000e-01 -9.4447100000e-01  9.6826200000e-01 -5.6266500000e-01 -2.6440940000e+00  1.4848470000e+00  4.9660000000e-02 -3.1679550000e+00  1.6181270000e+00 -1.1216470000e+00 -2.2181280000e+00
-ENERGY -1.526597584316e+02
-FORCES  4.6116000000e-03  1.1599000000e-03 -1.0671900000e-02 -1.7817000000e-03 -1.8424000000e-03 -6.1300000000e-05 -2.0960000000e-03 -7.0990000000e-04  8.8365000000e-03  4.3660000000e-03  3.0180000000e-04 -3.3300000000e-05 -1.5512000000e-03 -3.3377000000e-03  3.2318000000e-03 -3.5487000000e-03  4.4281000000e-03 -1.3018000000e-03
-
-JOB 514
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1564300000e-01  3.4463500000e-01  7.2908900000e-01 -6.5118300000e-01 -3.1945000000e-01 -6.2461500000e-01  2.3729680000e+00 -1.3648730000e+00  7.3594200000e-01  2.2240320000e+00 -2.2982700000e+00  8.8700600000e-01  1.5827750000e+00 -1.0654520000e+00  2.8630300000e-01
-ENERGY -1.526605547097e+02
-FORCES -2.4461000000e-03  1.0297000000e-03  3.3084000000e-03  8.7500000000e-04 -1.6568000000e-03 -4.6379000000e-03  3.3909000000e-03  6.8670000000e-04  3.7610000000e-03 -9.5693000000e-03  3.0153000000e-03 -2.8300000000e-03 -5.3960000000e-04  3.1075000000e-03 -7.5460000000e-04  8.2892000000e-03 -6.1825000000e-03  1.1531000000e-03
-
-JOB 515
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9843300000e-01  6.5670900000e-01  3.5615100000e-01  3.1107700000e-01 -8.2965800000e-01  3.6212000000e-01  2.5374740000e+00 -4.4807100000e-01  1.7819630000e+00  2.7540020000e+00 -1.2193170000e+00  2.3059170000e+00  3.3644110000e+00 -1.9809900000e-01  1.3697490000e+00
-ENERGY -1.526583075814e+02
-FORCES  7.5407000000e-03 -1.3666000000e-03  6.3101000000e-03 -3.4233000000e-03  5.4340000000e-04 -3.5811000000e-03 -4.0581000000e-03  6.2790000000e-04 -2.8773000000e-03  5.0686000000e-03 -2.0514000000e-03  1.1865000000e-03 -1.0840000000e-03  3.1192000000e-03 -2.9899000000e-03 -4.0439000000e-03 -8.7250000000e-04  1.9518000000e-03
-
-JOB 516
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7223700000e-01 -5.5106100000e-01 -4.0082400000e-01 -9.0535000000e-02  8.4611900000e-01 -4.3831400000e-01 -1.8150680000e+00 -8.4851700000e-01 -2.0302980000e+00 -1.8183290000e+00 -5.1478000000e-02 -2.5603440000e+00 -2.6857110000e+00 -8.7642400000e-01 -1.6335170000e+00
-ENERGY -1.526577495183e+02
-FORCES -7.7126000000e-03 -2.1860000000e-03 -1.0835500000e-02  2.7294000000e-03  1.6538000000e-03  8.1224000000e-03  5.2080000000e-04 -1.3187000000e-03  1.2866000000e-03 -1.4954000000e-03  4.3175000000e-03 -1.8771000000e-03 -1.0030000000e-04 -3.3379000000e-03  3.5918000000e-03  6.0580000000e-03  8.7130000000e-04 -2.8820000000e-04
-
-JOB 517
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0380500000e-01 -6.1779000000e-01  6.0951500000e-01 -4.8559400000e-01  8.1497600000e-01  1.2745100000e-01 -1.5786460000e+00 -1.5750950000e+00  1.6496290000e+00 -1.2404040000e+00 -1.3414340000e+00  2.5140520000e+00 -1.1158200000e+00 -2.3810670000e+00  1.4206460000e+00
-ENERGY -1.526583223366e+02
-FORCES -1.2252000000e-02 -5.3221000000e-03  8.6173000000e-03  9.2693000000e-03  1.0689000000e-03 -3.5338000000e-03  2.0146000000e-03 -1.7021000000e-03 -4.8700000000e-05  1.7116000000e-03 -1.7220000000e-03  1.4589000000e-03 -4.2300000000e-04 -1.8000000000e-05 -6.5664000000e-03 -3.2050000000e-04  7.6954000000e-03  7.2600000000e-05
-
-JOB 518
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3945200000e-01 -4.7170500000e-01  7.0753700000e-01  5.5361800000e-01 -1.4743200000e-01 -7.6681300000e-01 -4.7615400000e-01  2.7635480000e+00  5.4877000000e-01 -3.6388300000e-01  1.8131660000e+00  5.2874500000e-01 -1.2140370000e+00  2.9055960000e+00  1.1417140000e+00
-ENERGY -1.526615329151e+02
-FORCES  4.0677000000e-03 -1.0338000000e-03 -2.4728000000e-03 -2.2347000000e-03  3.2423000000e-03 -3.3976000000e-03 -2.2542000000e-03 -5.5620000000e-04  4.4689000000e-03 -6.7530000000e-04 -1.0306500000e-02 -1.2492000000e-03 -1.3991000000e-03  1.0253000000e-02  4.1498000000e-03  2.4956000000e-03 -1.5988000000e-03 -1.4992000000e-03
-
-JOB 519
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8983000000e-02 -1.5223100000e-01 -9.4249600000e-01 -2.3191500000e-01  9.2546000000e-01  7.7278000000e-02 -1.6438540000e+00 -2.2067060000e+00  7.3150300000e-01 -1.1711440000e+00 -1.4043610000e+00  5.1010000000e-01 -2.2903330000e+00 -1.9326240000e+00  1.3820220000e+00
-ENERGY -1.526610817609e+02
-FORCES -1.8900000000e-04  2.5377000000e-03 -2.9407000000e-03 -1.5759000000e-03  7.7840000000e-04  5.6333000000e-03  1.0009000000e-03 -4.7094000000e-03 -8.8210000000e-04  5.3056000000e-03  1.0081400000e-02  1.1420000000e-04 -6.6281000000e-03 -8.7014000000e-03  1.1840000000e-04  2.0865000000e-03  1.3300000000e-05 -2.0431000000e-03
-
-JOB 520
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5170000000e-01  7.8214500000e-01 -1.0432000000e-02  5.8197800000e-01  1.2680300000e-01  7.4930200000e-01  1.9826420000e+00 -3.7407300000e-01  1.9964810000e+00  1.9346440000e+00 -8.3989400000e-01  2.8313100000e+00  2.9155490000e+00 -3.6028300000e-01  1.7826480000e+00
-ENERGY -1.526611288187e+02
-FORCES  5.3430000000e-03  5.7420000000e-04  6.9458000000e-03  2.4709000000e-03 -2.3893000000e-03  1.1289000000e-03 -7.0069000000e-03  2.7821000000e-03 -6.9044000000e-03  1.4828000000e-03 -2.7465000000e-03  4.0300000000e-05  1.6809000000e-03  2.2131000000e-03 -3.5231000000e-03 -3.9708000000e-03 -4.3370000000e-04  2.3125000000e-03
-
-JOB 521
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2641300000e-01 -3.3770600000e-01 -5.2393700000e-01 -1.0615100000e-01 -4.1756100000e-01  8.5475500000e-01 -7.4202400000e-01 -1.2072640000e+00  2.7333920000e+00 -8.1932200000e-01 -2.1455860000e+00  2.5607370000e+00 -1.6273650000e+00 -9.3365400000e-01  2.9732690000e+00
-ENERGY -1.526603887742e+02
-FORCES -3.7569000000e-03 -3.9420000000e-03  6.4705000000e-03  2.1374000000e-03  8.5690000000e-04  1.8291000000e-03  2.2273000000e-03  2.5113000000e-03 -9.7498000000e-03 -4.8893000000e-03 -2.6951000000e-03  3.6791000000e-03  9.0200000000e-05  5.3873000000e-03 -6.0720000000e-04  4.1914000000e-03 -2.1184000000e-03 -1.6218000000e-03
-
-JOB 522
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1876000000e-02  7.8498000000e-02  9.5196700000e-01 -5.4507100000e-01  7.1177100000e-01 -3.3542700000e-01  3.5280800000e-01 -2.2945610000e+00 -1.5917370000e+00 -1.6462400000e-01 -3.0556190000e+00 -1.3285150000e+00  4.2466000000e-02 -1.5865100000e+00 -1.0273050000e+00
-ENERGY -1.526608484401e+02
-FORCES -4.3040000000e-04  1.3867000000e-03  1.5162000000e-03 -5.0680000000e-04  4.9160000000e-04 -4.7599000000e-03  2.3893000000e-03 -3.8763000000e-03  2.4391000000e-03 -2.4588000000e-03  7.2119000000e-03  7.2082000000e-03  1.3169000000e-03  3.0612000000e-03  1.7670000000e-04 -3.1020000000e-04 -8.2750000000e-03 -6.5802000000e-03
-
-JOB 523
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3915900000e-01 -8.6657400000e-01 -2.2417200000e-01 -7.3052600000e-01  4.3803400000e-01  4.3668100000e-01  3.5406700000e-01 -2.1520250000e+00 -1.8238650000e+00 -1.4297700000e-01 -2.0620180000e+00 -2.6369320000e+00 -7.1337000000e-02 -2.8739680000e+00 -1.3611970000e+00
-ENERGY -1.526545646769e+02
-FORCES -9.6270000000e-04 -5.6497000000e-03 -3.9179000000e-03 -2.7804000000e-03  3.3670000000e-03  6.5474000000e-03  2.3831000000e-03 -2.8547000000e-03 -2.9503000000e-03 -1.2610000000e-03 -8.8100000000e-04 -4.1754000000e-03  2.0124000000e-03 -9.2110000000e-04  4.2958000000e-03  6.0870000000e-04  6.9395000000e-03  2.0030000000e-04
-
-JOB 524
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1718500000e-01  9.2136400000e-01  2.3149000000e-01 -6.1379500000e-01 -4.6933900000e-01  5.6498600000e-01 -1.7652380000e+00 -8.1947500000e-01  3.4899350000e+00 -2.2466720000e+00 -6.7590900000e-01  2.6751700000e+00 -1.9419200000e+00 -1.7328250000e+00  3.7153390000e+00
-ENERGY -1.526537887761e+02
-FORCES -1.7642000000e-03  2.0059000000e-03  4.5212000000e-03  5.8500000000e-05 -3.8083000000e-03 -1.5010000000e-03  7.1700000000e-04  1.8322000000e-03 -3.3754000000e-03 -3.5947000000e-03 -3.8381000000e-03 -4.2920000000e-04  3.8678000000e-03 -3.5370000000e-04  1.9695000000e-03  7.1570000000e-04  4.1621000000e-03 -1.1852000000e-03
-
-JOB 525
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8718300000e-01  3.4301400000e-01  8.0539600000e-01 -5.5481000000e-02  7.5829400000e-01 -5.8150200000e-01  3.0863390000e+00  2.0077180000e+00 -1.4181640000e+00  3.6494470000e+00  1.3465100000e+00 -1.0157390000e+00  2.8584400000e+00  2.5981210000e+00 -7.0003000000e-01
-ENERGY -1.526544649605e+02
-FORCES  1.8122000000e-03  4.7895000000e-03 -3.6830000000e-04 -1.2536000000e-03 -1.3101000000e-03 -2.9031000000e-03 -9.5110000000e-04 -3.1006000000e-03  3.4236000000e-03  2.6881000000e-03 -9.0970000000e-04  4.1172000000e-03 -2.1934000000e-03  3.3542000000e-03 -1.4650000000e-03 -1.0220000000e-04 -2.8233000000e-03 -2.8044000000e-03
-
-JOB 526
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7708600000e-01  5.3048300000e-01 -7.4702300000e-01 -2.7624000000e-01 -8.3149000000e-01 -3.8542000000e-01  1.1559010000e+00  6.7407000000e-01 -2.5164680000e+00  1.4897630000e+00  1.5095080000e+00 -2.8432880000e+00  1.7813750000e+00  2.3974000000e-02 -2.8364510000e+00
-ENERGY -1.526600106260e+02
-FORCES  3.3331000000e-03  6.8200000000e-04 -1.1909500000e-02 -3.7370000000e-03  2.9200000000e-04  7.6506000000e-03  9.4500000000e-04  1.3984000000e-03  1.9238000000e-03  3.6319000000e-03 -1.6665000000e-03  7.6600000000e-05 -1.2271000000e-03 -4.2760000000e-03  1.9542000000e-03 -2.9459000000e-03  3.5701000000e-03  3.0430000000e-04
-
-JOB 527
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8200100000e-01  9.0512800000e-01 -1.3210300000e-01  8.4267500000e-01 -5.6990000000e-02 -4.5042400000e-01 -1.1372290000e+00  2.4451380000e+00 -9.5272400000e-01 -1.4685360000e+00  2.6332460000e+00 -1.8308370000e+00 -1.8559140000e+00  2.6863250000e+00 -3.6829900000e-01
-ENERGY -1.526603602240e+02
-FORCES -1.3068000000e-03  9.5970000000e-03 -5.7038000000e-03  2.7076000000e-03 -6.6190000000e-03  6.2637000000e-03 -2.5457000000e-03  7.7000000000e-06  9.6400000000e-04 -3.3503000000e-03 -1.7001000000e-03 -3.0226000000e-03  6.2930000000e-04  6.4960000000e-04  4.3962000000e-03  3.8659000000e-03 -1.9354000000e-03 -2.8975000000e-03
-
-JOB 528
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4817500000e-01 -7.6770200000e-01 -3.5497100000e-01  6.9925100000e-01  5.3149400000e-01  3.8051800000e-01  1.9068270000e+00  1.2759800000e+00  1.6752550000e+00  1.2193020000e+00  1.5106560000e+00  2.2985270000e+00  2.1556980000e+00  3.8390200000e-01  1.9171050000e+00
-ENERGY -1.526595578658e+02
-FORCES  9.7974000000e-03  5.1892000000e-03  3.3732000000e-03 -4.5060000000e-04  2.5509000000e-03  2.5640000000e-03 -7.4671000000e-03 -7.1136000000e-03 -2.9980000000e-03 -2.5406000000e-03 -2.8555000000e-03  5.6985000000e-03  3.3945000000e-03 -1.7995000000e-03 -4.6187000000e-03 -2.7337000000e-03  4.0285000000e-03 -4.0188000000e-03
-
-JOB 529
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0007900000e-01  6.6741900000e-01  6.1703800000e-01 -1.1723300000e-01 -7.8547600000e-01  5.3433600000e-01  8.9892300000e-01  2.2145480000e+00  1.3442270000e+00  5.2934800000e-01  2.2679820000e+00  2.2255850000e+00  1.7728590000e+00  1.8457190000e+00  1.4724130000e+00
-ENERGY -1.526582874346e+02
-FORCES  2.7907000000e-03  1.0847500000e-02  7.2661000000e-03 -5.5300000000e-05 -1.1440200000e-02 -2.5460000000e-03  1.2699000000e-03  4.1549000000e-03 -2.0300000000e-05  1.4025000000e-03 -1.3000000000e-05  1.6385000000e-03  2.0187000000e-03 -2.5459000000e-03 -5.3177000000e-03 -7.4266000000e-03 -1.0034000000e-03 -1.0207000000e-03
-
-JOB 530
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4319000000e-02  6.4352400000e-01 -7.0720900000e-01 -8.7284700000e-01  1.4413000000e-02  3.9263500000e-01 -7.0120300000e-01 -2.6138850000e+00 -1.0638610000e+00 -3.7724900000e-01 -1.7593380000e+00 -7.7919200000e-01 -9.4811500000e-01 -3.0591190000e+00 -2.5328500000e-01
-ENERGY -1.526603200342e+02
-FORCES -3.3093000000e-03  4.8204000000e-03 -7.3970000000e-04 -3.1610000000e-04 -4.0796000000e-03  3.6310000000e-03  4.8104000000e-03 -2.6020000000e-03 -3.1630000000e-03  4.6159000000e-03  7.7826000000e-03  6.1937000000e-03 -5.8762000000e-03 -8.2348000000e-03 -3.6953000000e-03  7.5300000000e-05  2.3135000000e-03 -2.2267000000e-03
-
-JOB 531
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3255600000e-01  7.6163700000e-01  2.2918400000e-01  8.9316200000e-01  2.5252000000e-01  2.3393700000e-01 -1.8602560000e+00  2.0661050000e+00  6.4548700000e-01 -2.1559230000e+00  2.9748700000e+00  5.9108000000e-01 -2.2260840000e+00  1.7436160000e+00  1.4691380000e+00
-ENERGY -1.526609681713e+02
-FORCES -3.4136000000e-03  8.9014000000e-03  1.3871000000e-03  5.0611000000e-03 -8.3502000000e-03  9.3250000000e-04 -2.9752000000e-03 -3.0180000000e-04 -4.8150000000e-04 -1.5359000000e-03  1.9081000000e-03  6.5220000000e-04  1.7070000000e-04 -4.2342000000e-03  1.7887000000e-03  2.6929000000e-03  2.0767000000e-03 -4.2790000000e-03
-
-JOB 532
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8833400000e-01  9.3586900000e-01  7.0075000000e-02 -8.0616400000e-01 -4.2915100000e-01  2.8663600000e-01  1.2373120000e+00 -4.5573500000e-01 -2.2705940000e+00  2.0243770000e+00 -9.5464700000e-01 -2.0518510000e+00  8.4671800000e-01 -2.4018400000e-01 -1.4237140000e+00
-ENERGY -1.526592256034e+02
-FORCES  6.8520000000e-04 -2.7886000000e-03 -8.8220000000e-03  7.0630000000e-04 -5.7252000000e-03 -1.3335000000e-03  3.6042000000e-03  3.8872000000e-03 -8.5000000000e-05 -7.6352000000e-03  1.2869000000e-03  1.6848500000e-02 -2.6303000000e-03  1.2512000000e-03  6.2680000000e-04  5.2697000000e-03  2.0883000000e-03 -7.2349000000e-03
-
-JOB 533
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0693300000e-01 -1.2577000000e-02  7.4007200000e-01  8.1432400000e-01  3.4797800000e-01  3.6334400000e-01  2.0526480000e+00  1.4105070000e+00  2.1439370000e+00  2.3853810000e+00  2.2875570000e+00  1.9534010000e+00  1.9207360000e+00  1.4045930000e+00  3.0919860000e+00
-ENERGY -1.526595210777e+02
-FORCES  3.0929000000e-03  2.7270000000e-03  7.0158000000e-03  8.3880000000e-04 -5.6400000000e-04 -2.8397000000e-03 -4.5682000000e-03 -2.7823000000e-03 -5.7651000000e-03  1.6067000000e-03  4.0730000000e-03  4.6168000000e-03 -1.5685000000e-03 -4.0560000000e-03  1.0811000000e-03  5.9830000000e-04  6.0220000000e-04 -4.1090000000e-03
-
-JOB 534
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5075500000e-01 -2.6358700000e-01 -3.5067100000e-01  2.3423300000e-01  7.8150300000e-01 -5.0062000000e-01  1.3044990000e+00 -2.3519620000e+00  5.9659400000e-01  2.1409210000e+00 -2.3612370000e+00  1.3125100000e-01  9.9937100000e-01 -1.4476250000e+00  5.2376900000e-01
-ENERGY -1.526606271216e+02
-FORCES -3.3410000000e-04 -3.2296000000e-03 -2.5579000000e-03  4.2388000000e-03  2.8487000000e-03  1.1893000000e-03 -1.9107000000e-03 -3.9299000000e-03  1.5582000000e-03 -3.2753000000e-03  1.1861000000e-02 -3.9311000000e-03 -2.4687000000e-03  7.9640000000e-04  1.0439000000e-03  3.7500000000e-03 -8.3466000000e-03  2.6977000000e-03
-
-JOB 535
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5684300000e-01  6.2094100000e-01  6.3508000000e-01  7.6010500000e-01 -4.9633600000e-01 -3.0351900000e-01 -1.2541250000e+00 -2.8659010000e+00  2.0449590000e+00 -1.4210140000e+00 -2.8058070000e+00  1.1043370000e+00 -1.6152600000e+00 -2.0558490000e+00  2.4050010000e+00
-ENERGY -1.526561907205e+02
-FORCES  5.6976000000e-03  6.9790000000e-04  1.5593000000e-03 -1.7251000000e-03 -2.4090000000e-03 -2.6158000000e-03 -3.4369000000e-03  2.1573000000e-03  8.5890000000e-04 -1.9796000000e-03  5.3950000000e-03 -3.6389000000e-03  4.1260000000e-04 -2.1540000000e-03  3.8537000000e-03  1.0314000000e-03 -3.6873000000e-03 -1.7200000000e-05
-
-JOB 536
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6709700000e-01  8.2231500000e-01 -1.4782000000e-01 -4.6859100000e-01 -6.4151100000e-01 -5.3396400000e-01  2.0827540000e+00  1.9245200000e-01 -1.6295370000e+00  1.4538810000e+00  3.2731300000e-01 -9.2062000000e-01  2.7665170000e+00  8.4322600000e-01 -1.4708150000e+00
-ENERGY -1.526591336101e+02
-FORCES  9.9750000000e-04 -2.0547000000e-03 -7.7046000000e-03  5.1907000000e-03 -3.9568000000e-03 -6.4850000000e-04  1.9806000000e-03  4.4830000000e-03  3.1199000000e-03 -1.1069900000e-02 -1.4115000000e-03  1.1751800000e-02  7.0845000000e-03  4.0247000000e-03 -8.0451000000e-03 -4.1835000000e-03 -1.0848000000e-03  1.5265000000e-03
-
-JOB 537
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9863500000e-01 -4.1271500000e-01  7.0516700000e-01  4.2523100000e-01 -3.0140200000e-01 -8.0285000000e-01 -4.3633500000e-01  1.7672220000e+00 -3.6519370000e+00 -5.6897800000e-01  1.4065350000e+00 -4.5286030000e+00  1.6468600000e-01  1.1541900000e+00 -3.2286200000e+00
-ENERGY -1.526523414762e+02
-FORCES  3.6766000000e-03 -3.1564000000e-03  4.4300000000e-04 -2.2766000000e-03  1.7781000000e-03 -3.0230000000e-03 -1.5618000000e-03  1.9907000000e-03  2.0363000000e-03  1.5406000000e-03 -3.6213000000e-03 -1.6622000000e-03  6.1730000000e-04  1.5149000000e-03  3.7826000000e-03 -1.9961000000e-03  1.4941000000e-03 -1.5768000000e-03
-
-JOB 538
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4413800000e-01 -8.8632500000e-01 -2.6656400000e-01  2.2658000000e-01 -8.1847000000e-02  9.2638800000e-01 -1.6492720000e+00 -2.1301240000e+00 -1.0545410000e+00 -2.2029050000e+00 -1.3495380000e+00 -1.0343430000e+00 -1.9721330000e+00 -2.6720300000e+00 -3.3459000000e-01
-ENERGY -1.526603204685e+02
-FORCES -1.7078000000e-03 -8.6744000000e-03 -1.2001000000e-03  2.7121000000e-03  8.7918000000e-03  4.7220000000e-03 -1.6827000000e-03 -7.5940000000e-04 -3.2290000000e-03 -6.1703000000e-03  1.8454000000e-03  1.5379000000e-03  4.1866000000e-03 -4.7810000000e-03  8.0180000000e-04  2.6621000000e-03  3.5776000000e-03 -2.6326000000e-03
-
-JOB 539
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0402900000e-01  2.3468100000e-01 -7.7917400000e-01  3.3243800000e-01 -8.7839000000e-01 -1.8479000000e-01  3.3190570000e+00  2.2330550000e+00 -1.6466440000e+00  4.1727690000e+00  2.6227030000e+00 -1.4580110000e+00  3.3177880000e+00  1.4098420000e+00 -1.1582280000e+00
-ENERGY -1.526546836708e+02
-FORCES -1.7314000000e-03 -2.1603000000e-03 -4.1823000000e-03  1.9453000000e-03 -1.4728000000e-03  3.4316000000e-03 -7.0640000000e-04  3.8114000000e-03  8.0730000000e-04  2.8910000000e-03 -1.7243000000e-03  3.5979000000e-03 -3.3800000000e-03 -1.5955000000e-03 -8.3070000000e-04  9.8150000000e-04  3.1416000000e-03 -2.8239000000e-03
-
-JOB 540
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2581400000e-01  1.0423000000e-02  2.4288300000e-01 -3.9768100000e-01  6.8236400000e-01  5.4079700000e-01 -6.9249800000e-01 -2.7372790000e+00 -1.7546100000e-01 -3.2044400000e-01 -1.8622970000e+00 -6.4941000000e-02 -1.6375900000e+00 -2.6079900000e+00 -9.5979000000e-02
-ENERGY -1.526599032761e+02
-FORCES -2.7310000000e-04  1.2827000000e-03  2.9226000000e-03 -5.7713000000e-03 -1.6831000000e-03 -7.6940000000e-04  2.6929000000e-03 -2.7880000000e-03 -2.7648000000e-03 -1.0983000000e-03  1.3295300000e-02  5.4120000000e-04  2.3030000000e-03 -9.1093000000e-03 -4.2000000000e-06  2.1469000000e-03 -9.9760000000e-04  7.4500000000e-05
-
-JOB 541
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9839200000e-01  3.9314600000e-01  3.5247500000e-01 -5.8333000000e-01  7.4222700000e-01 -1.5829100000e-01  1.4856760000e+00  2.0500610000e+00  1.0286470000e+00  1.2515920000e+00  2.9000970000e+00  1.4013080000e+00  2.1445720000e+00  1.6987180000e+00  1.6275170000e+00
-ENERGY -1.526562343863e+02
-FORCES  5.2856000000e-03  1.4972300000e-02  4.5343000000e-03  2.6273000000e-03 -6.8713000000e-03  3.9470000000e-04 -1.1690000000e-03 -2.8891000000e-03 -7.1270000000e-04 -3.9464000000e-03 -1.3329000000e-03  1.2426000000e-03  1.7092000000e-03 -3.8922000000e-03 -1.3901000000e-03 -4.5067000000e-03  1.3200000000e-05 -4.0688000000e-03
-
-JOB 542
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9167800000e-01  3.2402700000e-01  1.2707500000e-01 -2.2765500000e-01  2.6681600000e-01 -8.9062600000e-01 -7.9347400000e-01  3.7948560000e+00 -1.4961090000e+00  1.1292100000e-01  3.4871560000e+00 -1.4966120000e+00 -7.4051500000e-01  4.6979280000e+00 -1.8089810000e+00
-ENERGY -1.526535975554e+02
-FORCES  1.6460000000e-03  2.4620000000e-03 -3.0015000000e-03 -3.4911000000e-03 -9.5780000000e-04 -8.2220000000e-04  2.0516000000e-03 -1.3952000000e-03  3.7132000000e-03  3.6077000000e-03  3.4492000000e-03 -9.1060000000e-04 -3.6568000000e-03  2.9740000000e-04 -3.5060000000e-04 -1.5750000000e-04 -3.8556000000e-03  1.3716000000e-03
-
-JOB 543
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4070900000e-01 -4.1487000000e-02  1.7198100000e-01  1.4298000000e-01  8.8304800000e-01 -3.4060900000e-01  1.1383400000e+00  6.4303500000e-01  2.2615990000e+00  9.8600500000e-01  4.7140300000e-01  1.3323150000e+00  1.8440290000e+00  1.2896330000e+00  2.2736910000e+00
-ENERGY -1.526551859194e+02
-FORCES -2.7078000000e-03  3.7607000000e-03  1.0382000000e-02  4.5772000000e-03  7.1940000000e-04 -2.7974000000e-03  2.8715000000e-03 -4.5857000000e-03  6.7378000000e-03 -6.6279000000e-03 -6.7479000000e-03 -1.4225600000e-02  5.4681000000e-03  8.8358000000e-03  3.7948000000e-03 -3.5812000000e-03 -1.9823000000e-03 -3.8916000000e-03
-
-JOB 544
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3894600000e-01  2.4019400000e-01 -5.5901400000e-01 -9.4957000000e-02  5.5426200000e-01  7.7460300000e-01  1.4499220000e+00  1.0921720000e+00  2.3436030000e+00  1.6331840000e+00  1.9050110000e+00  2.8147080000e+00  2.2733890000e+00  8.7805300000e-01  1.9050990000e+00
-ENERGY -1.526599508604e+02
-FORCES -1.0645000000e-03  3.7268000000e-03  4.4905000000e-03  2.6748000000e-03 -6.4400000000e-05  2.7202000000e-03 -3.6873000000e-03 -3.3154000000e-03 -7.5566000000e-03  5.9854000000e-03  9.8290000000e-04 -6.1700000000e-04 -7.3400000000e-04 -3.4149000000e-03 -2.4382000000e-03 -3.1744000000e-03  2.0850000000e-03  3.4010000000e-03
-
-JOB 545
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7915800000e-01  7.3225700000e-01  2.1120500000e-01 -1.5529900000e-01 -1.6847900000e-01 -9.2937000000e-01 -1.8860730000e+00  1.9879560000e+00 -2.0883600000e-01 -1.3029790000e+00  2.7009910000e+00 -4.6924600000e-01 -2.7645360000e+00  2.3641740000e+00 -2.6356800000e-01
-ENERGY -1.526586556944e+02
-FORCES -1.1481800000e-02  6.6710000000e-03 -3.2613000000e-03  7.4414000000e-03 -3.5840000000e-04  3.6540000000e-04  1.8758000000e-03 -7.1400000000e-05  1.9783000000e-03 -7.1000000000e-06 -8.5470000000e-04  2.3870000000e-04 -2.6482000000e-03 -5.0373000000e-03  1.8130000000e-03  4.8199000000e-03 -3.4920000000e-04 -1.1341000000e-03
-
-JOB 546
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6896900000e-01  6.7818800000e-01 -6.5402000000e-01  1.7794500000e-01  4.8355400000e-01  8.0668600000e-01  7.5105400000e-01  7.9459400000e-01  2.6659320000e+00 -1.6357900000e-01  9.0681500000e-01  2.9249370000e+00  1.1296560000e+00  1.6709170000e+00  2.7362910000e+00
-ENERGY -1.526589395733e+02
-FORCES  3.8641000000e-03  4.0857000000e-03  7.4268000000e-03  9.2850000000e-04 -1.3602000000e-03  3.6204000000e-03 -6.6273000000e-03 -5.9920000000e-04 -9.0721000000e-03 -3.0720000000e-04  2.3890000000e-03  4.6245000000e-03  5.0997000000e-03 -3.6200000000e-05 -4.8403000000e-03 -2.9578000000e-03 -4.4790000000e-03 -1.7593000000e-03
-
-JOB 547
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2647900000e-01  4.1162100000e-01 -2.5245100000e-01  4.2638600000e-01 -2.1131700000e-01 -8.3052500000e-01  1.6224780000e+00 -9.1620000000e-01 -1.9618530000e+00  2.2890940000e+00 -2.7449500000e-01 -1.7167610000e+00  1.4639240000e+00 -7.5427000000e-01 -2.8918380000e+00
-ENERGY -1.526590598086e+02
-FORCES  5.8058000000e-03 -5.9210000000e-03 -1.1458300000e-02  3.3123000000e-03 -1.7008000000e-03 -1.2330000000e-03 -3.8580000000e-03  7.7213000000e-03  7.4690000000e-03  1.3111000000e-03  2.2221000000e-03  7.0320000000e-04 -6.6377000000e-03 -2.6116000000e-03 -1.1640000000e-03  6.6400000000e-05  2.9000000000e-04  5.6832000000e-03
-
-JOB 548
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7653800000e-01  2.4078800000e-01 -6.3289000000e-01  7.9003600000e-01 -1.1956300000e-01 -5.2704800000e-01  2.2294900000e-01  1.0809230000e+00  2.6220540000e+00  3.7046900000e-01  1.0358060000e+00  1.6773660000e+00 -5.8437200000e-01  1.5867160000e+00  2.7149940000e+00
-ENERGY -1.526585076802e+02
-FORCES -1.0152000000e-03 -1.0882000000e-03 -2.9184000000e-03  3.6076000000e-03 -9.6870000000e-04  3.1653000000e-03 -4.0720000000e-03  1.7073000000e-03  3.2916000000e-03 -3.7924000000e-03 -2.9620000000e-03 -1.0462000000e-02  3.0344000000e-03  4.7556000000e-03  7.3354000000e-03  2.2376000000e-03 -1.4440000000e-03 -4.1190000000e-04
-
-JOB 549
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1008600000e-01  4.9882100000e-01 -1.0569100000e-01  6.7845200000e-01  5.6198000000e-01 -3.7431700000e-01  2.2744260000e+00  1.4219230000e+00 -7.1905900000e-01  2.7920540000e+00  1.0517390000e+00 -1.4340810000e+00  2.6638430000e+00  1.0544390000e+00  7.4378000000e-02
-ENERGY -1.526615910984e+02
-FORCES  7.5411000000e-03  8.5375000000e-03 -5.0560000000e-03  3.1387000000e-03 -7.5670000000e-04 -2.4960000000e-04 -7.1240000000e-03 -6.7137000000e-03  5.3979000000e-03  2.7649000000e-03 -3.6698000000e-03  1.0086000000e-03 -2.5782000000e-03  1.4949000000e-03  4.2108000000e-03 -3.7425000000e-03  1.1078000000e-03 -5.3116000000e-03
-
-JOB 550
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2244400000e-01 -2.4975700000e-01 -5.4320000000e-02 -9.5703000000e-02  3.7597400000e-01  8.7505200000e-01 -1.3334810000e+00  1.7340410000e+00 -1.7907370000e+00 -1.2414040000e+00  1.3811700000e+00 -2.6757440000e+00 -8.8574900000e-01  1.0992220000e+00 -1.2314760000e+00
-ENERGY -1.526616102475e+02
-FORCES  2.5524000000e-03  2.1882000000e-03  1.6520000000e-03 -4.4487000000e-03  1.0551000000e-03  1.1200000000e-03  1.2334000000e-03 -1.9285000000e-03 -4.7924000000e-03  5.8060000000e-03 -8.9944000000e-03  4.8610000000e-03  4.8980000000e-04  6.2810000000e-04  2.7414000000e-03 -5.6330000000e-03  7.0515000000e-03 -5.5820000000e-03
-
-JOB 551
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4984800000e-01  1.7226500000e-01 -9.2957100000e-01  7.7410200000e-01 -5.6273600000e-01  1.8050000000e-02 -3.1462710000e+00 -1.5633950000e+00 -2.4104270000e+00 -2.5511500000e+00 -2.3118820000e+00 -2.4532080000e+00 -2.8104610000e+00 -9.5202000000e-01 -3.0659310000e+00
-ENERGY -1.526531110747e+02
-FORCES  1.8708000000e-03 -1.4923000000e-03 -3.5367000000e-03  1.2594000000e-03 -6.5420000000e-04  3.3851000000e-03 -3.2820000000e-03  2.1688000000e-03 -2.3760000000e-04  3.1437000000e-03 -1.0220000000e-03 -2.4509000000e-03 -2.2388000000e-03  3.3122000000e-03 -1.7000000000e-04 -7.5300000000e-04 -2.3125000000e-03  3.0100000000e-03
-
-JOB 552
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7323200000e-01 -6.7973700000e-01 -3.5439400000e-01  3.7722300000e-01  8.2093600000e-01 -3.1622600000e-01  1.9196810000e+00 -2.8143440000e+00  1.4087050000e+00  1.0905250000e+00 -2.3712100000e+00  1.2288010000e+00  2.5859850000e+00 -2.2378890000e+00  1.0345760000e+00
-ENERGY -1.526540877215e+02
-FORCES  3.1905000000e-03  2.6240000000e-03 -4.1508000000e-03 -1.9681000000e-03  1.6589000000e-03  4.2158000000e-03 -1.6097000000e-03 -3.7933000000e-03  1.2636000000e-03 -1.0415000000e-03  4.5709000000e-03  1.5250000000e-04  4.6435000000e-03 -2.6233000000e-03 -1.8490000000e-03 -3.2148000000e-03 -2.4371000000e-03  3.6790000000e-04
-
-JOB 553
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4086400000e-01 -4.5829600000e-01 -6.4316600000e-01  8.9993600000e-01 -2.0567300000e-01 -2.5307300000e-01 -1.5404430000e+00 -1.4715940000e+00 -1.9486990000e+00 -1.7622330000e+00 -7.8717500000e-01 -2.5800560000e+00 -2.3664690000e+00 -1.9284300000e+00 -1.7899100000e+00
-ENERGY -1.526616401743e+02
-FORCES -3.1493000000e-03 -7.5628000000e-03 -7.1792000000e-03  5.2135000000e-03  7.6941000000e-03  5.1042000000e-03 -2.7430000000e-03  8.2220000000e-04  3.7940000000e-04 -4.4968000000e-03 -4.5340000000e-04 -8.1510000000e-04  1.5403000000e-03 -3.1281000000e-03  4.5163000000e-03  3.6353000000e-03  2.6281000000e-03 -2.0056000000e-03
-
-JOB 554
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1045400000e-01  4.7768800000e-01  1.7666500000e-01 -6.3448200000e-01  3.6816800000e-01  6.1491200000e-01 -7.4294500000e-01  9.7184400000e-01 -2.5688810000e+00 -5.0328500000e-01  5.8498900000e-01 -1.7267770000e+00 -1.7537000000e-01  1.7382150000e+00 -2.6511350000e+00
-ENERGY -1.526603234942e+02
-FORCES  2.7270000000e-04  2.8741000000e-03  3.4003000000e-03 -5.0912000000e-03 -1.2770000000e-03 -2.2366000000e-03  3.9261000000e-03 -1.2346000000e-03 -3.8739000000e-03  4.7643000000e-03 -3.3933000000e-03  1.0811600000e-02 -2.6397000000e-03  5.4289000000e-03 -9.3517000000e-03 -1.2322000000e-03 -2.3980000000e-03  1.2503000000e-03
-
-JOB 555
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9542100000e-01 -7.8635200000e-01  5.0960000000e-01 -2.7205000000e-01  7.2466100000e-01  5.6310500000e-01 -6.7814600000e-01  2.2577970000e+00  1.4717440000e+00 -6.0206600000e-01  2.1198270000e+00  2.4158880000e+00 -3.4741500000e-01  3.1450190000e+00  1.3314400000e+00
-ENERGY -1.526604377634e+02
-FORCES -3.8989000000e-03  9.1067000000e-03  6.9303000000e-03  3.8420000000e-04  3.3970000000e-03 -1.5370000000e-04  2.1263000000e-03 -9.8293000000e-03 -3.3201000000e-03  3.4182000000e-03  1.0501000000e-03 -8.4420000000e-04  2.9000000000e-06  8.4900000000e-05 -5.1523000000e-03 -2.0329000000e-03 -3.8094000000e-03  2.5400000000e-03
-
-JOB 556
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0326700000e-01 -4.2463500000e-01  8.0246200000e-01 -8.0273700000e-01  2.5718900000e-01 -4.5354000000e-01  1.9186650000e+00  1.7903070000e+00  3.1903900000e-01  1.2348410000e+00  1.1340580000e+00  4.5303000000e-01  2.2519930000e+00  1.6134060000e+00 -5.6063700000e-01
-ENERGY -1.526580389688e+02
-FORCES  2.3298000000e-03  7.1613000000e-03 -2.9290000000e-04  2.3683000000e-03  4.4471000000e-03 -3.9272000000e-03  3.6525000000e-03 -2.7095000000e-03  2.7452000000e-03 -1.2852200000e-02 -1.3907300000e-02 -5.6271000000e-03  4.9509000000e-03  3.5435000000e-03  5.4534000000e-03 -4.4920000000e-04  1.4649000000e-03  1.6485000000e-03
-
-JOB 557
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7137900000e-01  5.5628300000e-01  7.5987600000e-01 -8.3397200000e-01 -4.3810200000e-01 -1.6967600000e-01  2.0126890000e+00 -2.2524910000e+00  6.6691100000e-01  1.1847170000e+00 -1.7998320000e+00  8.2751600000e-01  1.9198910000e+00 -3.0904990000e+00  1.1200810000e+00
-ENERGY -1.526574275308e+02
-FORCES -4.9291000000e-03  4.3575000000e-03 -6.3030000000e-04  1.0075000000e-03 -4.0514000000e-03 -3.1793000000e-03  4.8718000000e-03  9.0490000000e-04  2.1548000000e-03 -4.7618000000e-03  2.3690000000e-03  4.1280000000e-04  4.4835000000e-03 -7.2420000000e-03  3.0507000000e-03 -6.7180000000e-04  3.6621000000e-03 -1.8087000000e-03
-
-JOB 558
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0788200000e-01 -1.4475900000e-01  2.6650800000e-01  5.1931400000e-01 -2.8785700000e-01  7.5078800000e-01 -2.6062960000e+00  2.4856000000e-02  9.4935800000e-01 -2.6270960000e+00  1.9221700000e-01  1.8915830000e+00 -3.4963930000e+00 -2.5490500000e-01  7.3559900000e-01
-ENERGY -1.526600850805e+02
-FORCES -1.0685100000e-02 -1.2768000000e-03  4.9247000000e-03  9.1711000000e-03 -2.3400000000e-04 -1.7240000000e-03 -2.3870000000e-03  1.2106000000e-03 -1.3849000000e-03  4.3100000000e-04  1.0340000000e-04  2.0260000000e-04 -2.2750000000e-04 -1.7231000000e-03 -4.6299000000e-03  3.6974000000e-03  1.9199000000e-03  2.6115000000e-03
-
-JOB 559
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3688200000e-01 -5.6240700000e-01  6.3958200000e-01 -8.7633000000e-01 -3.7444400000e-01 -8.9829000000e-02  9.4086000000e-01 -1.6223120000e+00  2.2611220000e+00  1.8223720000e+00 -1.2551450000e+00  2.3271360000e+00  1.0243580000e+00 -2.5107070000e+00  2.6075520000e+00
-ENERGY -1.526600767953e+02
-FORCES -1.2160000000e-03 -7.5874000000e-03  7.3361000000e-03  1.3120000000e-03  6.5768000000e-03 -5.9375000000e-03  2.2315000000e-03  1.4081000000e-03 -5.9800000000e-04  2.5566000000e-03 -3.0091000000e-03  2.0839000000e-03 -5.2173000000e-03 -1.8706000000e-03 -2.2418000000e-03  3.3300000000e-04  4.4823000000e-03 -6.4280000000e-04
-
-JOB 560
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4204000000e-02 -2.4381300000e-01 -9.2404000000e-01  5.9980700000e-01 -6.4048800000e-01  3.8241100000e-01 -8.5437600000e-01  2.5528920000e+00  7.0193800000e-01 -7.2284300000e-01  2.3972880000e+00  1.6372010000e+00 -8.1563800000e-01  1.6822700000e+00  3.0602400000e-01
-ENERGY -1.526586548259e+02
-FORCES  2.3742000000e-03  1.6203000000e-03  1.2891000000e-03  8.2300000000e-05  1.6633000000e-03  4.9143000000e-03 -2.6431000000e-03  1.9758000000e-03 -2.9197000000e-03  4.8970000000e-03 -1.2841800000e-02  6.0620000000e-04 -3.3690000000e-04  1.3424000000e-03 -1.9083000000e-03 -4.3735000000e-03  6.2401000000e-03 -1.9816000000e-03
-
-JOB 561
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4492600000e-01 -5.1960000000e-02  5.9884700000e-01 -3.0876000000e-01  9.0260200000e-01  7.8796000000e-02 -2.0900250000e+00  4.8942900000e-01 -2.6017470000e+00 -2.1657720000e+00  1.4201120000e+00 -2.8122820000e+00 -2.8155030000e+00  3.1948200000e-01 -2.0008880000e+00
-ENERGY -1.526527480617e+02
-FORCES  1.5701000000e-03  3.9645000000e-03  1.3998000000e-03 -3.1704000000e-03  1.2300000000e-04 -2.8870000000e-03  1.1497000000e-03 -3.3994000000e-03  1.1030000000e-03 -3.2032000000e-03  1.4565000000e-03  1.4372000000e-03  8.6120000000e-04 -3.6707000000e-03  1.6116000000e-03  2.7925000000e-03  1.5262000000e-03 -2.6647000000e-03
-
-JOB 562
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1420000000e-02  8.2763800000e-01 -4.7393800000e-01 -8.8967000000e-01 -2.9829200000e-01 -1.8905300000e-01 -1.3764000000e-02  2.3356560000e+00 -1.8212560000e+00 -2.9464200000e-01  2.1831590000e+00 -2.7235220000e+00 -8.1368900000e-01  2.5885290000e+00 -1.3603790000e+00
-ENERGY -1.526586249883e+02
-FORCES -8.9370000000e-04  5.9674000000e-03 -7.5336000000e-03 -3.3758000000e-03 -4.9998000000e-03  7.9560000000e-03  2.4850000000e-03  1.6719000000e-03  5.0180000000e-04 -3.4334000000e-03  1.0011000000e-03 -4.6894000000e-03  4.5770000000e-04  1.3753000000e-03  4.7335000000e-03  4.7602000000e-03 -5.0160000000e-03 -9.6840000000e-04
-
-JOB 563
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8518100000e-01  7.2698200000e-01 -3.9029200000e-01 -4.1122300000e-01 -4.4073200000e-01 -7.4356100000e-01 -4.8425700000e-01 -2.5241950000e+00  2.0651210000e+00 -8.8763000000e-02 -2.9452120000e+00  2.8283780000e+00 -8.5335200000e-01 -3.2465340000e+00  1.5569600000e+00
-ENERGY -1.526512989367e+02
-FORCES -1.1480000000e-04  7.9500000000e-05 -4.2869000000e-03 -1.8604000000e-03 -3.1706000000e-03  2.2227000000e-03  1.5652000000e-03  1.8634000000e-03  2.6716000000e-03  7.2390000000e-04 -4.0823000000e-03  1.0238000000e-03 -1.6623000000e-03  1.9715000000e-03 -3.1669000000e-03  1.3484000000e-03  3.3385000000e-03  1.5357000000e-03
-
-JOB 564
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7747000000e-01 -2.1142200000e-01  9.1653500000e-01 -3.6605200000e-01 -8.0537100000e-01 -3.6553500000e-01 -1.2016400000e+00  2.2934910000e+00 -3.4468900000e-01 -2.1349320000e+00  2.2647520000e+00 -5.5533700000e-01 -1.0005360000e+00  1.4138920000e+00 -2.5167000000e-02
-ENERGY -1.526568471245e+02
-FORCES -2.7005000000e-03  3.5710000000e-03 -1.9383000000e-03 -3.1201000000e-03  2.3134000000e-03 -5.4303000000e-03  1.2565000000e-03  4.6718000000e-03  2.9103000000e-03  7.1912000000e-03 -1.5798000000e-02  1.6163000000e-03  3.3751000000e-03 -2.5189000000e-03  6.2220000000e-04 -6.0021000000e-03  7.7608000000e-03  2.2198000000e-03
-
-JOB 565
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5507000000e-02 -9.5431700000e-01  4.9286000000e-02  9.0621800000e-01  1.7489500000e-01 -2.5379600000e-01 -4.9496800000e-01  1.5120930000e+00 -2.4688790000e+00 -4.0433800000e-01  9.7426500000e-01 -1.6822680000e+00 -1.3508090000e+00  1.9306250000e+00 -2.3761430000e+00
-ENERGY -1.526608977120e+02
-FORCES  3.6606000000e-03 -4.4297000000e-03  1.3361000000e-03  8.6430000000e-04  4.8326000000e-03 -1.2000000000e-04 -7.0629000000e-03 -4.2340000000e-04 -1.3142000000e-03 -3.2937000000e-03 -3.7555000000e-03  8.7727000000e-03  3.3358000000e-03  5.2004000000e-03 -8.2075000000e-03  2.4960000000e-03 -1.4243000000e-03 -4.6710000000e-04
-
-JOB 566
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4230100000e-01 -1.7759400000e-01 -7.6850600000e-01  3.0204300000e-01 -8.6240300000e-01  2.8506600000e-01  7.1276400000e-01  2.7222350000e+00 -6.7060000000e-03  5.8538100000e-01  1.7759750000e+00  6.1102000000e-02  1.2159030000e+00  2.8395220000e+00 -8.1251400000e-01
-ENERGY -1.526610470500e+02
-FORCES -3.5980000000e-04 -8.7990000000e-04 -8.7260000000e-04  3.5539000000e-03  1.8000000000e-06  3.6402000000e-03 -2.4225000000e-03  3.3200000000e-03 -2.5428000000e-03 -4.5220000000e-04 -1.0988800000e-02 -9.7700000000e-04  1.6074000000e-03  9.4371000000e-03 -1.2189000000e-03 -1.9267000000e-03 -8.9010000000e-04  1.9712000000e-03
-
-JOB 567
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7683400000e-01  7.4538500000e-01 -3.6505100000e-01 -6.1974500000e-01 -7.2793300000e-01 -4.7554000000e-02 -1.5496680000e+00 -2.1839930000e+00 -6.6756200000e-01 -1.6235620000e+00 -2.3214530000e+00 -1.6119540000e+00 -2.4485830000e+00 -2.2472140000e+00 -3.4478300000e-01
-ENERGY -1.526600000825e+02
-FORCES -8.9870000000e-03 -9.3613000000e-03 -4.0535000000e-03  8.1900000000e-04 -2.6431000000e-03  6.3510000000e-04  4.1820000000e-03  8.2480000000e-03  4.0121000000e-03  5.4240000000e-04  1.6809000000e-03 -3.4258000000e-03 -1.3779000000e-03  3.4220000000e-04  4.9842000000e-03  4.8215000000e-03  1.7333000000e-03 -2.1522000000e-03
-
-JOB 568
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2681000000e-01 -7.9799000000e-02 -2.2558200000e-01  4.6386200000e-01 -3.0973400000e-01 -7.7790000000e-01 -2.8156180000e+00  1.3152500000e-01 -3.9171800000e-01 -3.3443400000e+00  8.9151800000e-01 -1.4862200000e-01 -3.4466800000e+00 -4.9842300000e-01 -7.3979500000e-01
-ENERGY -1.526613269683e+02
-FORCES -9.1600000000e-03 -1.7930000000e-04 -3.4830000000e-03  9.9070000000e-03 -1.2404000000e-03  6.9820000000e-04 -2.2798000000e-03  5.8360000000e-04  2.0518000000e-03 -1.5431000000e-03  1.6558000000e-03  1.0686000000e-03  6.8210000000e-04 -4.4479000000e-03 -1.7722000000e-03  2.3938000000e-03  3.6282000000e-03  1.4366000000e-03
-
-JOB 569
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9312900000e-01 -3.3053700000e-01 -9.6429000000e-02  4.9535300000e-01 -7.4364400000e-01  3.4329400000e-01  1.0452460000e+00  2.5134320000e+00  4.3454000000e-02  7.0152600000e-01  1.6293270000e+00 -8.4789000000e-02  1.9957450000e+00  2.4105180000e+00 -3.3520000000e-03
-ENERGY -1.526598926184e+02
-FORCES  4.0880000000e-04  3.5774000000e-03  1.5298000000e-03  4.8342000000e-03 -3.1970000000e-04  1.1148000000e-03 -3.0537000000e-03  2.9968000000e-03 -2.0134000000e-03 -3.8165000000e-03 -1.2896600000e-02 -7.1820000000e-04  4.4328000000e-03  7.7305000000e-03 -4.0510000000e-04 -2.8057000000e-03 -1.0884000000e-03  4.9220000000e-04
-
-JOB 570
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2306100000e-01  6.2037000000e-01  3.7837500000e-01  4.6200300000e-01 -3.6622100000e-01  7.5410000000e-01 -1.7589480000e+00 -2.7329950000e+00 -1.2982430000e+00 -1.2649340000e+00 -2.8017980000e+00 -2.1152180000e+00 -1.1455220000e+00 -3.0203120000e+00 -6.2193700000e-01
-ENERGY -1.526536202354e+02
-FORCES -2.3291000000e-03  1.6070000000e-03  4.2168000000e-03  3.2066000000e-03 -2.1311000000e-03 -1.2291000000e-03 -1.9403000000e-03  4.7620000000e-04 -3.4456000000e-03  6.2006000000e-03  1.3470000000e-03 -1.9440000000e-04 -2.3712000000e-03 -7.0850000000e-04  2.7872000000e-03 -2.7667000000e-03 -5.9050000000e-04 -2.1349000000e-03
-
-JOB 571
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0080300000e-01 -8.9392000000e-01  2.7715700000e-01 -1.6999200000e-01  3.1040000000e-03 -9.4197900000e-01 -4.2205700000e-01 -2.5444630000e+00  7.2118400000e-01 -8.5521900000e-01 -3.3685780000e+00  4.9883800000e-01  1.8458000000e-01 -2.7744570000e+00  1.4249770000e+00
-ENERGY -1.526593428128e+02
-FORCES -3.7513000000e-03 -1.5104700000e-02  6.4340000000e-04  3.4264000000e-03  6.9500000000e-03  1.0182000000e-03  4.8300000000e-05 -3.2860000000e-04  2.3127000000e-03  6.9920000000e-04  5.1841000000e-03 -2.3219000000e-03  3.3732000000e-03  2.6506000000e-03  2.3035000000e-03 -3.7957000000e-03  6.4860000000e-04 -3.9559000000e-03
-
-JOB 572
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3777800000e-01 -3.5303000000e-01 -4.9727700000e-01  5.0622700000e-01  4.9745400000e-01 -6.4226500000e-01  1.9024730000e+00  1.5378330000e+00 -1.3443570000e+00  2.3802890000e+00  1.0508550000e+00 -2.0157560000e+00  1.5650400000e+00  2.3083260000e+00 -1.8012060000e+00
-ENERGY -1.526601446933e+02
-FORCES  6.8949000000e-03  6.0848000000e-03 -6.3291000000e-03  3.3501000000e-03  2.0971000000e-03  1.9180000000e-04 -9.0049000000e-03 -6.5728000000e-03  3.1850000000e-03  1.6711000000e-03  1.0369000000e-03 -2.1064000000e-03 -3.8804000000e-03  2.5880000000e-03  3.1485000000e-03  9.6910000000e-04 -5.2340000000e-03  1.9103000000e-03
-
-JOB 573
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2388000000e-02  8.8112100000e-01  3.6478700000e-01  2.6165000000e-01  1.4048500000e-01 -9.0996400000e-01  1.1397720000e+00 -2.3860880000e+00  9.2931200000e-01  1.7501210000e+00 -2.7451180000e+00  2.8526000000e-01  1.0105290000e+00 -1.4775720000e+00  6.5704700000e-01
-ENERGY -1.526593550955e+02
-FORCES -6.1480000000e-04  2.0933000000e-03 -9.9030000000e-04  4.4610000000e-04 -4.2793000000e-03 -2.7381000000e-03  1.5800000000e-05 -1.1316000000e-03  5.3537000000e-03 -3.4324000000e-03  9.2797000000e-03 -4.2968000000e-03 -2.4071000000e-03  2.3386000000e-03  1.0562000000e-03  5.9924000000e-03 -8.3007000000e-03  1.6153000000e-03
-
-JOB 574
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1513600000e-01 -2.2999900000e-01 -8.7408300000e-01  4.7149800000e-01  8.2374800000e-01 -1.2393800000e-01 -1.2073300000e+00 -1.5717630000e+00 -2.1533780000e+00 -9.7348200000e-01 -2.4873400000e+00 -2.3059080000e+00 -2.1542130000e+00 -1.5859400000e+00 -2.0139360000e+00
-ENERGY -1.526611179204e+02
-FORCES -1.5872000000e-03 -2.2876000000e-03 -7.0347000000e-03  3.0896000000e-03  6.9788000000e-03  7.1460000000e-03 -1.9122000000e-03 -3.1128000000e-03 -6.4260000000e-04 -1.7358000000e-03 -5.1482000000e-03  1.5711000000e-03 -2.3947000000e-03  3.6752000000e-03 -1.1520000000e-04  4.5404000000e-03 -1.0540000000e-04 -9.2470000000e-04
-
-JOB 575
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3290800000e-01 -2.9152500000e-01 -6.5625700000e-01 -2.5402500000e-01 -4.6068100000e-01  7.9967300000e-01 -3.6498200000e-01  2.6361310000e+00  5.3582900000e-01 -3.8939200000e-01  3.1912720000e+00 -2.4356400000e-01  1.6373000000e-02  1.8124500000e+00  2.3193700000e-01
-ENERGY -1.526599437503e+02
-FORCES -6.2977000000e-03  3.3447000000e-03  2.9669000000e-03  3.0875000000e-03  1.1651000000e-03  3.2302000000e-03  9.6790000000e-04  1.4588000000e-03 -4.7074000000e-03  3.0450000000e-03 -1.2763300000e-02 -4.4095000000e-03 -1.1720000000e-04 -3.4687000000e-03  1.3739000000e-03 -6.8540000000e-04  1.0263300000e-02  1.5458000000e-03
-
-JOB 576
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7167200000e-01 -8.6429600000e-01  3.0889900000e-01 -5.1429600000e-01 -1.7735300000e-01 -7.8757700000e-01 -1.8173950000e+00  1.1995670000e+00  1.5866630000e+00 -2.1764490000e+00  2.0061040000e+00  1.2167840000e+00 -1.0585940000e+00  1.0009460000e+00  1.0380270000e+00
-ENERGY -1.526598611524e+02
-FORCES -6.4236000000e-03 -2.7012000000e-03  3.4659000000e-03 -1.3752000000e-03  3.7765000000e-03 -2.9183000000e-03  2.5586000000e-03  1.2601000000e-03  4.1792000000e-03  1.0842700000e-02 -4.8150000000e-03 -8.2593000000e-03  2.1080000000e-03 -3.3563000000e-03 -8.9400000000e-04 -7.7106000000e-03  5.8359000000e-03  4.4264000000e-03
-
-JOB 577
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6452000000e-02  5.9835800000e-01 -7.4694600000e-01 -5.3457600000e-01  4.4861500000e-01  6.5513800000e-01  3.5331100000e-01  1.0099650000e+00 -2.5582930000e+00  7.3309100000e-01  1.3134100000e-01 -2.5626800000e+00  1.1086390000e+00  1.5979220000e+00 -2.5624130000e+00
-ENERGY -1.526606755958e+02
-FORCES -1.6757000000e-03  6.7468000000e-03 -8.8683000000e-03  1.9537000000e-03 -6.2272000000e-03  8.8375000000e-03  1.8296000000e-03 -4.0800000000e-05 -3.1878000000e-03  4.6640000000e-03 -3.4983000000e-03 -9.1310000000e-04 -2.5798000000e-03  6.3045000000e-03  2.5250000000e-03 -4.1916000000e-03 -3.2850000000e-03  1.6067000000e-03
-
-JOB 578
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4287000000e-01  4.5193000000e-02 -9.2477200000e-01  9.2368300000e-01 -2.5099600000e-01 -6.4480000000e-03 -1.7795290000e+00 -7.4986900000e-01  2.2080230000e+00 -1.4215280000e+00 -3.0214800000e-01  1.4414640000e+00 -1.5503430000e+00 -1.6699900000e+00  2.0773180000e+00
-ENERGY -1.526603735131e+02
-FORCES  3.6135000000e-03 -1.0162000000e-03 -1.5339000000e-03  1.3443000000e-03 -7.0130000000e-04  4.5841000000e-03 -4.2537000000e-03  9.1700000000e-04 -1.5319000000e-03  6.9351000000e-03 -1.2680000000e-04 -8.2584000000e-03 -6.5934000000e-03 -1.0831000000e-03  5.4451000000e-03 -1.0458000000e-03  2.0104000000e-03  1.2950000000e-03
-
-JOB 579
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3813200000e-01  6.8339900000e-01 -2.0490300000e-01 -8.1117600000e-01  4.7524800000e-01  1.7990300000e-01  8.6221400000e-01 -1.2104180000e+00  2.4332970000e+00  1.3058110000e+00 -4.8192800000e-01  2.8677580000e+00  7.1672000000e-01 -9.0345200000e-01  1.5384030000e+00
-ENERGY -1.526601509346e+02
-FORCES -2.8222000000e-03  3.9201000000e-03  1.1741000000e-03 -2.8861000000e-03 -3.7872000000e-03  3.1138000000e-03  4.7833000000e-03 -1.3983000000e-03 -1.4964000000e-03 -2.5142000000e-03  6.3883000000e-03 -9.5872000000e-03 -1.4820000000e-03 -1.6005000000e-03 -1.9501000000e-03  4.9211000000e-03 -3.5224000000e-03  8.7457000000e-03
-
-JOB 580
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7608700000e-01  3.3815900000e-01 -6.8556900000e-01 -6.9737000000e-02 -9.5164800000e-01 -7.5729000000e-02 -2.1706380000e+00  2.4680500000e-01 -1.5850920000e+00 -2.5450470000e+00 -5.9760900000e-01 -1.3340660000e+00 -1.9088290000e+00  1.3122400000e-01 -2.4985080000e+00
-ENERGY -1.526565925153e+02
-FORCES -1.4167700000e-02  4.2400000000e-05 -1.0298100000e-02  8.5631000000e-03 -5.2000000000e-04  2.3344000000e-03 -5.4740000000e-04  1.9864000000e-03  1.9510000000e-04  1.8342000000e-03 -5.1916000000e-03  3.2862000000e-03  3.2689000000e-03  3.6889000000e-03 -2.0936000000e-03  1.0489000000e-03 -6.1000000000e-06  6.5761000000e-03
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-JOB 581
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6013900000e-01 -7.6797500000e-01  4.4356100000e-01  8.2740000000e-01  1.7096400000e-01  4.4990200000e-01  2.5250100000e+00  3.9797900000e-01  1.0973800000e+00  2.7820360000e+00 -4.7961500000e-01  8.1454200000e-01  2.1852700000e+00  2.7458100000e-01  1.9837100000e+00
-ENERGY -1.526572813851e+02
-FORCES  1.1635700000e-02  2.2508000000e-03  5.4463000000e-03  3.3840000000e-03  2.5378000000e-03 -3.2730000000e-04 -9.6941000000e-03 -5.6207000000e-03 -4.1950000000e-04  1.2187000000e-03 -3.6784000000e-03  1.2269000000e-03 -4.6605000000e-03  4.9313000000e-03  1.7214000000e-03 -1.8839000000e-03 -4.2070000000e-04 -7.6479000000e-03
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-JOB 582
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7130500000e-01 -4.6511600000e-01  3.2401700000e-01  6.0174500000e-01  1.4491000000e-02  7.4426200000e-01  1.5921080000e+00 -3.1776600000e-01  2.5500090000e+00  1.7212390000e+00  5.6839900000e-01  2.8880450000e+00  1.2434170000e+00 -8.0974600000e-01  3.2933810000e+00
-ENERGY -1.526604389430e+02
-FORCES  2.7863000000e-03 -3.5119000000e-03  8.8460000000e-03  1.7670000000e-03  1.4358000000e-03 -1.3073000000e-03 -4.3094000000e-03  3.6818000000e-03 -7.7735000000e-03 -3.3450000000e-04  2.9200000000e-05  5.7959000000e-03 -1.5972000000e-03 -4.5500000000e-03 -2.4795000000e-03  1.6878000000e-03  2.9151000000e-03 -3.0817000000e-03
-
-JOB 583
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4120400000e-01  8.6549400000e-01  3.8368500000e-01 -1.5730000000e-03 -5.9689000000e-01  7.4829900000e-01  2.5468100000e-01 -1.3346180000e+00  2.4354390000e+00  6.3108300000e-01 -2.0853020000e+00  2.8948150000e+00 -6.7402100000e-01 -1.3528470000e+00  2.6665460000e+00
-ENERGY -1.526595965683e+02
-FORCES  4.2983000000e-03 -3.7670000000e-03  1.1359000000e-02 -1.0986000000e-03 -2.1389000000e-03 -1.3077000000e-03 -5.9322000000e-03  3.9160000000e-03 -5.6363000000e-03  4.3170000000e-04 -2.3672000000e-03 -5.1400000000e-05 -3.0763000000e-03  3.8330000000e-03 -8.6290000000e-04  5.3771000000e-03  5.2410000000e-04 -3.5007000000e-03
-
-JOB 584
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8989300000e-01  5.2072700000e-01 -1.4541300000e-01 -1.2256200000e-01 -3.8470300000e-01  8.6787900000e-01 -4.8868000000e-01 -1.0465750000e+00  2.7457610000e+00 -4.6820000000e-03 -5.3519600000e-01  3.3941980000e+00  6.2735000000e-02 -1.8119910000e+00  2.5835520000e+00
-ENERGY -1.526610118430e+02
-FORCES -5.5946000000e-03 -1.1623000000e-03  8.8193000000e-03  2.6289000000e-03 -1.1949000000e-03  1.2230000000e-04  4.3715000000e-03  7.2670000000e-04 -9.2089000000e-03  3.3678000000e-03 -1.3798000000e-03  5.0854000000e-03 -2.2708000000e-03 -2.9032000000e-03 -3.5822000000e-03 -2.5028000000e-03  5.9135000000e-03 -1.2358000000e-03
-
-JOB 585
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4467700000e-01  1.2256300000e-01 -9.3788000000e-02  2.9010600000e-01  7.5429400000e-01  5.1294300000e-01  1.3016670000e+00 -1.3857150000e+00 -1.8375980000e+00  7.8211000000e-01 -9.7022300000e-01 -1.1493690000e+00  1.7297980000e+00 -2.1232640000e+00 -1.4029050000e+00
-ENERGY -1.526596228752e+02
-FORCES  5.1511000000e-03 -1.5038000000e-03 -6.1549000000e-03  5.2072000000e-03  2.0160000000e-04  9.7130000000e-04 -3.7241000000e-03 -3.2308000000e-03 -1.5805000000e-03 -7.0670000000e-03  7.7263000000e-03  1.2661000000e-02  1.9631000000e-03 -5.8703000000e-03 -5.8820000000e-03 -1.5303000000e-03  2.6771000000e-03 -1.4900000000e-05
-
-JOB 586
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6128800000e-01 -6.9194800000e-01 -5.5399500000e-01 -1.5358000000e-01 -3.0402800000e-01  8.9454600000e-01 -1.2530390000e+00 -1.6620680000e+00  3.1277210000e+00 -1.8412310000e+00 -1.8142290000e+00  2.3880530000e+00 -5.1418500000e-01 -2.2502840000e+00  2.9717480000e+00
-ENERGY -1.526552847918e+02
-FORCES -1.9460000000e-03 -2.9689000000e-03  2.3263000000e-03  1.1688000000e-03  2.3641000000e-03  2.7828000000e-03  1.1283000000e-03  4.3630000000e-04 -6.3290000000e-03 -1.1612000000e-03 -5.1804000000e-03 -7.0870000000e-04  4.1250000000e-03  1.5563000000e-03  2.3609000000e-03 -3.3149000000e-03  3.7926000000e-03 -4.3220000000e-04
-
-JOB 587
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7883000000e-01 -4.8388900000e-01 -8.0629000000e-01 -5.2705500000e-01 -4.4087400000e-01  6.6638900000e-01 -1.7572510000e+00 -1.9000600000e-01  2.3098540000e+00 -2.4900130000e+00 -8.0587200000e-01  2.3097760000e+00 -1.3591140000e+00 -2.9082500000e-01  3.1744660000e+00
-ENERGY -1.526592325025e+02
-FORCES -6.0601000000e-03 -1.8817000000e-03  5.1989000000e-03 -4.5830000000e-04  1.2042000000e-03  3.4651000000e-03  6.0961000000e-03 -1.5283000000e-03 -8.2344000000e-03 -1.7534000000e-03 -1.4330000000e-04  4.8992000000e-03  4.5644000000e-03  2.4448000000e-03 -8.7340000000e-04 -2.3887000000e-03 -9.5800000000e-05 -4.4553000000e-03
-
-JOB 588
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2438600000e-01 -8.0076700000e-01 -4.7610000000e-03 -5.3684000000e-01 -5.9984000000e-02 -7.9021300000e-01  1.9061180000e+00 -2.2771550000e+00  2.7032000000e-02  2.3740140000e+00 -1.4698180000e+00  2.4036800000e-01  1.7665750000e+00 -2.7041670000e+00  8.7226600000e-01
-ENERGY -1.526599349377e+02
-FORCES  1.9860000000e-03 -8.5762000000e-03 -3.8958000000e-03 -1.1755000000e-03  9.5820000000e-03  2.6629000000e-03  1.7120000000e-03  2.0230000000e-04  2.6728000000e-03  4.6524000000e-03 -1.0182000000e-03  4.6123000000e-03 -7.3058000000e-03 -3.3073000000e-03 -1.5216000000e-03  1.3100000000e-04  3.1173000000e-03 -4.5306000000e-03
-
-JOB 589
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6937200000e-01 -2.0291100000e-01  3.4532800000e-01 -5.1524700000e-01 -7.8892500000e-01  1.6837300000e-01 -9.8202900000e-01  2.4085420000e+00 -4.0606200000e-01 -5.9143600000e-01  1.5588410000e+00 -2.0191300000e-01 -8.7157600000e-01  2.9219400000e+00  3.9422200000e-01
-ENERGY -1.526591684113e+02
-FORCES -3.8876000000e-03  6.9577000000e-03 -5.5350000000e-04 -5.1421000000e-03  3.1000000000e-06 -9.1310000000e-04  4.4484000000e-03  3.0234000000e-03 -1.2020000000e-04  6.3906000000e-03 -1.5256000000e-02  4.1906000000e-03 -2.4976000000e-03  7.8992000000e-03 -9.5910000000e-04  6.8830000000e-04 -2.6274000000e-03 -1.6447000000e-03
-
-JOB 590
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4054000000e-01  6.7206200000e-01  2.3296600000e-01 -1.3607200000e-01 -4.9266400000e-01  8.0932000000e-01  3.7877800000e-01 -1.6685240000e+00  2.5207200000e+00  1.1740960000e+00 -1.5476210000e+00  3.0394520000e+00 -3.0062700000e-01 -1.2065560000e+00  3.0118680000e+00
-ENERGY -1.526582822050e+02
-FORCES  4.2293000000e-03 -3.6869000000e-03  7.5672000000e-03 -2.1544000000e-03 -1.6630000000e-03 -8.7640000000e-04 -4.4960000000e-03  6.1811000000e-03 -4.9052000000e-03  2.9885000000e-03  1.4100000000e-05  5.4907000000e-03 -4.2640000000e-03 -2.9400000000e-04 -1.9028000000e-03  3.6966000000e-03 -5.5130000000e-04 -5.3735000000e-03
-
-JOB 591
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3987000000e-01  3.7544600000e-01 -4.7735100000e-01 -6.2765000000e-02  5.2572300000e-01  7.9743800000e-01  3.8613920000e+00 -1.5468250000e+00  2.8173040000e+00  3.8338350000e+00 -2.2240110000e+00  2.1413660000e+00  3.2103920000e+00 -1.8244180000e+00  3.4617980000e+00
-ENERGY -1.526548349710e+02
-FORCES  3.1031000000e-03  3.9875000000e-03  1.4168000000e-03 -3.1989000000e-03 -1.6245000000e-03  1.6889000000e-03 -7.4500000000e-05 -2.2285000000e-03 -3.2228000000e-03 -2.9289000000e-03 -4.2947000000e-03 -2.1360000000e-04  3.8410000000e-04  2.8434000000e-03  2.8058000000e-03  2.7151000000e-03  1.3169000000e-03 -2.4752000000e-03
-
-JOB 592
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1924500000e-01  6.3030000000e-01  4.9933800000e-01 -1.8811600000e-01  4.4510700000e-01 -8.2627100000e-01  1.3071340000e+00 -2.7677960000e+00 -2.2726000000e-02  1.5421550000e+00 -2.5009320000e+00 -9.1142200000e-01  6.7648200000e-01 -2.1085540000e+00  2.6694300000e-01
-ENERGY -1.526597843995e+02
-FORCES  1.4554000000e-03  4.9267000000e-03 -1.5286000000e-03 -2.5957000000e-03 -2.7505000000e-03 -2.7413000000e-03  1.5160000000e-03 -1.7172000000e-03  3.7154000000e-03 -3.9411000000e-03  8.7333000000e-03 -2.6986000000e-03  2.2080000000e-04 -2.0211000000e-03  1.9427000000e-03  3.3447000000e-03 -7.1712000000e-03  1.3105000000e-03
-
-JOB 593
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7861400000e-01 -7.8574900000e-01  2.6411800000e-01  1.9223400000e-01 -1.3657300000e-01 -9.2769900000e-01 -1.6080990000e+00 -2.0856700000e+00  4.9093900000e-01 -1.1465700000e+00 -2.7945450000e+00  9.3895600000e-01 -2.4071270000e+00 -1.9585650000e+00  1.0024380000e+00
-ENERGY -1.526598766564e+02
-FORCES -1.0902800000e-02 -1.3311200000e-02  4.3180000000e-04  7.9223000000e-03  5.4927000000e-03 -1.6540000000e-04 -4.9550000000e-04 -2.4100000000e-04  2.5372000000e-03  8.4500000000e-04  4.8604000000e-03  1.4903000000e-03 -1.9074000000e-03  5.3280000000e-03 -2.2059000000e-03  4.5385000000e-03 -2.1290000000e-03 -2.0880000000e-03
-
-JOB 594
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8071600000e-01 -3.5724200000e-01 -1.1379700000e-01  1.3960300000e-01  9.2945900000e-01  1.8124200000e-01  3.0212480000e+00 -5.4869300000e-01  1.8210700000e-01  2.9031230000e+00 -1.4655900000e+00 -6.6040000000e-02  3.0287920000e+00 -5.5816200000e-01  1.1392300000e+00
-ENERGY -1.526592453092e+02
-FORCES  9.6003000000e-03  3.0881000000e-03 -4.5720000000e-04 -8.2688000000e-03 -2.5312000000e-03  1.8980000000e-04 -1.6095000000e-03 -2.8042000000e-03  1.0480000000e-04  3.4614000000e-03 -3.8367000000e-03  4.2921000000e-03 -2.3603000000e-03  5.8694000000e-03  1.1478000000e-03 -8.2310000000e-04  2.1450000000e-04 -5.2773000000e-03
-
-JOB 595
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7101700000e-01  5.6653200000e-01 -2.8393000000e-02 -5.5698000000e-02 -3.7375100000e-01 -8.7945400000e-01 -1.7055620000e+00  1.8657000000e+00  8.1980300000e-01 -1.2732060000e+00  1.0761310000e+00  4.9441100000e-01 -2.3640800000e+00  1.5426040000e+00  1.4347790000e+00
-ENERGY -1.526605667863e+02
-FORCES -8.3760000000e-04  6.6678000000e-03 -6.3600000000e-05 -4.5085000000e-03 -3.6416000000e-03 -1.0181000000e-03  2.9570000000e-04  2.8047000000e-03  4.5540000000e-03  8.8489000000e-03 -1.3071700000e-02 -3.9368000000e-03 -6.3415000000e-03  8.0010000000e-03  2.8029000000e-03  2.5429000000e-03 -7.6020000000e-04 -2.3385000000e-03
-
-JOB 596
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7642600000e-01  2.9567500000e-01 -2.4634600000e-01 -1.0922400000e-01 -3.7125600000e-01  8.7548300000e-01 -2.2079040000e+00  1.0491760000e+00 -1.4632380000e+00 -3.0072000000e+00  6.9279100000e-01 -1.0754910000e+00 -2.0242530000e+00  4.7386000000e-01 -2.2058800000e+00
-ENERGY -1.526597231572e+02
-FORCES -8.1227000000e-03  4.7886000000e-03 -2.6187000000e-03  6.6100000000e-03 -7.2943000000e-03  5.8063000000e-03 -1.5590000000e-03  1.6377000000e-03 -3.4058000000e-03 -1.8740000000e-03 -2.3713000000e-03 -4.8412000000e-03  6.2441000000e-03  6.2540000000e-04 -1.7040000000e-04 -1.2984000000e-03  2.6140000000e-03  5.2298000000e-03
-
-JOB 597
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4698800000e-01 -4.8751400000e-01 -6.1592700000e-01  5.3293600000e-01  6.8311000000e-02  7.9217700000e-01  1.1784660000e+00  5.4291700000e-01  2.4048140000e+00  1.4079560000e+00  1.4558760000e+00  2.5782250000e+00  2.0166780000e+00  1.1268200000e-01  2.2359090000e+00
-ENERGY -1.526578727762e+02
-FORCES  5.3255000000e-03  2.4903000000e-03  1.1724800000e-02  7.7400000000e-05  1.8154000000e-03  4.1167000000e-03  5.0200000000e-04 -5.0328000000e-03 -1.0119400000e-02  6.7190000000e-04  4.0707000000e-03 -2.1185000000e-03  5.1000000000e-06 -5.3552000000e-03 -2.7440000000e-04 -6.5819000000e-03  2.0116000000e-03 -3.3291000000e-03
-
-JOB 598
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4092600000e-01 -1.1321600000e-01 -4.4301000000e-01 -2.4036000000e-02 -6.2562900000e-01  7.2404600000e-01 -1.9440980000e+00 -5.7554900000e-01 -1.6103540000e+00 -2.0538560000e+00 -1.5610600000e-01 -2.4637310000e+00 -2.8370920000e+00 -7.2940800000e-01 -1.3019390000e+00
-ENERGY -1.526572113844e+02
-FORCES -1.4290800000e-02 -5.8226000000e-03 -1.1936900000e-02  4.0871000000e-03  1.8154000000e-03  7.0645000000e-03 -1.9285000000e-03  1.3079000000e-03 -2.5590000000e-03  7.9054000000e-03  4.2381000000e-03  3.8716000000e-03 -1.3369000000e-03 -2.8421000000e-03  4.6160000000e-03  5.5638000000e-03  1.3033000000e-03 -1.0561000000e-03
-
-JOB 599
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4101900000e-01  7.6430300000e-01 -4.6452100000e-01  8.1226000000e-02  2.2630800000e-01  9.2650900000e-01  1.2107650000e+00 -1.8995200000e-01  2.8695840000e+00  9.1800200000e-01  7.2134200000e-01  2.8775920000e+00  8.0866700000e-01 -5.7803500000e-01  3.6467200000e+00
-ENERGY -1.526547128022e+02
-FORCES  3.9985000000e-03  1.0447000000e-03  4.4412000000e-03 -1.2719000000e-03 -2.5757000000e-03  2.5737000000e-03 -3.2263000000e-03  4.3891000000e-03 -4.8787000000e-03 -8.3540000000e-04  2.5800000000e-04  5.9415000000e-03 -7.6990000000e-04 -5.3340000000e-03 -4.3579000000e-03  2.1051000000e-03  2.2180000000e-03 -3.7199000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1856400000e-01 -5.4827500000e-01 -3.1510500000e-01 -1.4940300000e-01  8.5124900000e-01 -4.1144300000e-01  2.8636750000e+00 -6.0440600000e-01 -1.0419900000e-01  1.9202500000e+00 -4.4352100000e-01 -8.6958000000e-02  3.2459590000e+00  1.6406300000e-01  3.1952900000e-01
-ENERGY -1.526614350957e+02
-FORCES -3.7915000000e-03  1.0180000000e-04 -2.9222000000e-03  2.8334000000e-03  3.6819000000e-03  1.2131000000e-03  1.1154000000e-03 -4.4156000000e-03  2.0520000000e-03 -9.0660000000e-03  3.3473000000e-03  2.4235000000e-03  1.0443000000e-02 -9.0990000000e-04 -1.0646000000e-03 -1.5343000000e-03 -1.8055000000e-03 -1.7018000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5893800000e-01  6.6404600000e-01  2.0267100000e-01  2.3939900000e-01 -7.4976100000e-01  5.4477400000e-01 -2.3679020000e+00  1.0451240000e+00  4.6087800000e-01 -1.5360050000e+00  5.7165300000e-01  4.6278800000e-01 -3.0336260000e+00  3.6035000000e-01  3.9662700000e-01
-ENERGY -1.526581312198e+02
-FORCES -3.7981000000e-03  4.6846000000e-03  2.0258000000e-03 -4.0396000000e-03 -4.5165000000e-03 -1.3260000000e-04 -3.1666000000e-03  5.0178000000e-03 -2.2122000000e-03  1.5996000000e-02 -8.9962000000e-03 -4.8005000000e-03 -8.4007000000e-03  3.2495000000e-03  4.7241000000e-03  3.4090000000e-03  5.6080000000e-04  3.9540000000e-04
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0997600000e-01 -4.5784200000e-01  2.2483400000e-01 -6.8720000000e-02 -8.6742000000e-02 -9.5078100000e-01 -1.6184490000e+00 -2.7405300000e+00 -7.8817200000e-01 -2.3586490000e+00 -3.3285850000e+00 -9.3826000000e-01 -1.9340600000e+00 -1.8812370000e+00 -1.0678780000e+00
-ENERGY -1.526545420964e+02
-FORCES  4.2793000000e-03 -4.5979000000e-03 -1.9954000000e-03 -2.4983000000e-03  3.2959000000e-03 -8.1060000000e-04 -1.8496000000e-03  5.3310000000e-04  3.5902000000e-03 -4.7381000000e-03  2.1225000000e-03 -1.0180000000e-04  3.1497000000e-03  2.6536000000e-03  8.7950000000e-04  1.6571000000e-03 -4.0072000000e-03 -1.5619000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8376900000e-01 -5.4636300000e-01  5.8527000000e-02 -3.1868100000e-01  8.4307000000e-01 -3.2234700000e-01 -2.2061440000e+00 -1.5497800000e+00 -3.2643600000e-01 -2.1080790000e+00 -2.4949280000e+00 -2.1106000000e-01 -2.9767680000e+00 -1.3231410000e+00  1.9414600000e-01
-ENERGY -1.526598912299e+02
-FORCES -1.3559100000e-02 -7.1431000000e-03 -3.7743000000e-03  7.4096000000e-03  5.5320000000e-03  3.3221000000e-03  1.0680000000e-04 -2.2806000000e-03  1.3397000000e-03  2.3597000000e-03 -5.7820000000e-04  1.4077000000e-03 -1.2839000000e-03  5.3581000000e-03  1.9220000000e-04  4.9668000000e-03 -8.8820000000e-04 -2.4873000000e-03
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4877800000e-01 -1.2630100000e-01  1.0000000000e-02 -3.3639600000e-01 -7.4737500000e-01 -4.9446900000e-01  2.5043890000e+00 -1.0136590000e+00 -2.6245900000e-01  3.3217750000e+00 -5.3200900000e-01 -1.3546800000e-01  2.6673030000e+00 -1.8708450000e+00  1.3114400000e-01
-ENERGY -1.526594164597e+02
-FORCES  1.3842400000e-02 -7.9935000000e-03 -3.7855000000e-03 -6.0217000000e-03  5.3458000000e-03  1.6820000000e-03 -1.9550000000e-04  1.4177000000e-03  1.8021000000e-03 -3.0440000000e-03 -4.9730000000e-04  2.6452000000e-03 -4.7402000000e-03 -2.6586000000e-03  2.0480000000e-04  1.5890000000e-04  4.3860000000e-03 -2.5486000000e-03
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7162700000e-01  5.5208600000e-01 -1.2659000000e-01  3.0499800000e-01 -7.1400300000e-01  5.5982800000e-01  1.9600810000e+00  1.8542810000e+00  1.1600900000e-01  1.8012660000e+00  2.7967690000e+00  6.3800000000e-02  2.8369480000e+00  1.7380400000e+00 -2.4981000000e-01
-ENERGY -1.526597494310e+02
-FORCES  1.1289600000e-02  9.1339000000e-03  2.5670000000e-03 -4.9410000000e-03 -7.5499000000e-03 -1.6857000000e-03  1.3070000000e-04  2.2034000000e-03 -1.8183000000e-03 -4.3910000000e-03  1.7680000000e-04 -8.5470000000e-04  2.9044000000e-03 -4.3771000000e-03 -6.5500000000e-05 -4.9927000000e-03  4.1280000000e-04  1.8572000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9503000000e-01 -5.3252000000e-01  2.4135000000e-02 -2.7642200000e-01  8.2608000000e-01 -3.9675500000e-01 -2.1327550000e+00 -1.7783120000e+00 -1.4810900000e-01 -2.0662000000e+00 -2.7215330000e+00  6.7300000000e-04 -2.9567310000e+00 -1.5270780000e+00  2.6923500000e-01
-ENERGY -1.526608209727e+02
-FORCES -9.9458000000e-03 -6.7807000000e-03 -2.3086000000e-03  6.3345000000e-03  8.0655000000e-03  1.4201000000e-03 -4.0090000000e-04 -2.7473000000e-03  1.4541000000e-03  1.5800000000e-03 -2.0147000000e-03  1.8492000000e-03 -2.2035000000e-03  4.5361000000e-03 -3.8290000000e-04  4.6357000000e-03 -1.0589000000e-03 -2.0319000000e-03
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3303500000e-01 -4.7119600000e-01  1.6065000000e-02 -6.4137100000e-01 -6.5570700000e-01 -2.7372000000e-01 -1.4117040000e+00 -2.2189820000e+00 -1.4127660000e+00 -2.2129290000e+00 -2.6937720000e+00 -1.1917570000e+00 -1.5668840000e+00 -1.8844570000e+00 -2.2960810000e+00
-ENERGY -1.526615183290e+02
-FORCES -1.9084000000e-03 -9.2519000000e-03 -3.3916000000e-03 -1.9448000000e-03  2.1645000000e-03  1.3340000000e-04  3.4268000000e-03  7.8448000000e-03  4.0047000000e-03 -3.5105000000e-03 -1.4591000000e-03 -3.9567000000e-03  3.7227000000e-03  2.6369000000e-03 -1.4923000000e-03  2.1410000000e-04 -1.9352000000e-03  4.7025000000e-03
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8991100000e-01 -6.5604300000e-01 -9.9309000000e-02 -3.7965100000e-01  8.0330700000e-01 -3.5608300000e-01 -1.0456560000e+00  2.1857720000e+00 -1.5706530000e+00 -1.1184200000e+00  3.0650580000e+00 -1.1994480000e+00 -7.0447400000e-01  2.3256620000e+00 -2.4539750000e+00
-ENERGY -1.526615748996e+02
-FORCES -6.2267000000e-03  6.2344000000e-03 -6.1684000000e-03  2.1140000000e-03  1.7842000000e-03  1.6650000000e-04  3.2835000000e-03 -6.4018000000e-03  6.9685000000e-03  2.3797000000e-03  2.0900000000e-03 -3.1250000000e-03  8.7900000000e-04 -4.5218000000e-03 -1.9387000000e-03 -2.4295000000e-03  8.1500000000e-04  4.0970000000e-03
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5260400000e-01  5.9048800000e-01  3.3810000000e-02  3.0205400000e-01 -7.9876800000e-01  4.3239500000e-01 -2.7163710000e+00  6.3547700000e-01  1.5130700000e-01 -1.8237990000e+00  3.3051800000e-01 -1.1630000000e-02 -3.2578800000e+00  1.2586300000e-01 -4.5143100000e-01
-ENERGY -1.526613152050e+02
-FORCES  3.4660000000e-04  2.0076000000e-03  2.4986000000e-03 -2.1446000000e-03 -4.2988000000e-03  3.3730000000e-04 -8.5050000000e-04  4.0906000000e-03 -2.3595000000e-03  1.0159800000e-02 -2.9326000000e-03 -2.3769000000e-03 -1.0290100000e-02  3.7830000000e-04  1.0770000000e-04  2.7788000000e-03  7.5490000000e-04  1.7928000000e-03
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8618800000e-01 -3.2882500000e-01 -1.5092400000e-01  2.1517000000e-02  8.4594500000e-01 -4.4737700000e-01  6.9209000000e-01  2.0295000000e-01  2.6677230000e+00 -5.2468000000e-02 -2.9572500000e-01  3.0041570000e+00  5.5993900000e-01  2.2143900000e-01  1.7198690000e+00
-ENERGY -1.526597510418e+02
-FORCES -3.0597000000e-03  1.1869000000e-03  1.9822000000e-03  4.3354000000e-03  2.2587000000e-03  6.7730000000e-04 -4.7710000000e-04 -4.5399000000e-03  3.3655000000e-03 -5.6241000000e-03 -3.3546000000e-03 -1.3699000000e-02  1.5488000000e-03  1.2620000000e-03 -9.0820000000e-04  3.2768000000e-03  3.1869000000e-03  8.5822000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0011000000e-01  6.5179500000e-01 -3.5230000000e-02  3.8500900000e-01 -7.4066600000e-01  4.6841600000e-01  9.9322700000e-01 -2.2009780000e+00  1.3292230000e+00  7.2042800000e-01 -3.0590040000e+00  1.0042560000e+00  8.2908000000e-01 -2.2379450000e+00  2.2715180000e+00
-ENERGY -1.526616828413e+02
-FORCES  6.9465000000e-03 -9.7629000000e-03  6.1763000000e-03 -1.5700000000e-03 -2.3914000000e-03  9.2060000000e-04 -3.8192000000e-03  8.6686000000e-03 -4.7539000000e-03 -3.6310000000e-03 -7.0100000000e-05 -2.4700000000e-04  1.2896000000e-03  4.0725000000e-03  2.9079000000e-03  7.8400000000e-04 -5.1670000000e-04 -5.0038000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5282200000e-01 -5.7194200000e-01  1.4957600000e-01  1.2752400000e-01 -1.4282000000e-02 -9.4856000000e-01 -1.0413460000e+00 -2.4104600000e-01  3.3903760000e+00 -1.8589410000e+00 -7.3806000000e-01  3.4177160000e+00 -1.3059480000e+00  6.4229500000e-01  3.1336160000e+00
-ENERGY -1.526541673968e+02
-FORCES -2.1006000000e-03 -3.4555000000e-03 -2.4055000000e-03  2.2634000000e-03  2.9080000000e-03 -2.0608000000e-03 -5.5090000000e-04  6.8100000000e-05  4.1504000000e-03 -3.2874000000e-03  2.9152000000e-03 -2.4710000000e-04  3.5255000000e-03  1.7451000000e-03 -1.1427000000e-03  1.4990000000e-04 -4.1808000000e-03  1.7056000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3386700000e-01  7.8491000000e-01  1.2301600000e-01  4.4778300000e-01 -6.7678800000e-01  5.0762200000e-01  1.6960160000e+00  1.0412560000e+00  3.2268290000e+00  1.7843320000e+00  1.9260020000e+00  3.5813110000e+00  1.7899470000e+00  1.1513420000e+00  2.2806320000e+00
-ENERGY -1.526525769696e+02
-FORCES  2.8687000000e-03 -4.6810000000e-04  2.8238000000e-03 -9.3270000000e-04 -3.0040000000e-03  7.1690000000e-04 -1.3543000000e-03  3.6809000000e-03 -2.8947000000e-03  5.8570000000e-04  4.9087000000e-03 -1.2627000000e-03 -2.8210000000e-04 -3.8955000000e-03 -1.6986000000e-03 -8.8540000000e-04 -1.2220000000e-03  2.3152000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2905500000e-01 -3.2948900000e-01  3.4689500000e-01 -2.1211200000e-01  3.0051100000e-01 -8.8370400000e-01  2.0538210000e+00 -1.4902700000e+00  5.3473800000e-01  1.3478750000e+00 -1.0426910000e+00  6.8322000000e-02  1.9505250000e+00 -1.2166520000e+00  1.4461630000e+00
-ENERGY -1.526567126166e+02
-FORCES  5.5742000000e-03 -7.0979000000e-03  2.5806000000e-03  4.4887000000e-03  2.4019000000e-03 -2.2054000000e-03  1.6358000000e-03 -3.4818000000e-03  4.8997000000e-03 -1.7116600000e-02  1.4368500000e-02 -1.6810000000e-03  5.0486000000e-03 -4.3538000000e-03 -2.5086000000e-03  3.6940000000e-04 -1.8369000000e-03 -1.0852000000e-03
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6762000000e-01  3.8657700000e-01 -1.1843100000e-01  5.6167300000e-01  7.3847900000e-01  2.3537800000e-01 -2.5740800000e+00  9.2136500000e-01  2.3434800000e-01 -3.2437230000e+00  2.4252500000e-01  1.5076300000e-01 -2.9264500000e+00  1.6671550000e+00 -2.5131200000e-01
-ENERGY -1.526602826509e+02
-FORCES -1.1959800000e-02  6.8028000000e-03  2.5435000000e-03  9.1786000000e-03 -3.1358000000e-03 -2.6231000000e-03 -2.2027000000e-03 -1.4351000000e-03 -1.0418000000e-03 -3.5900000000e-04 -2.4788000000e-03 -8.8720000000e-04  3.0472000000e-03  4.4638000000e-03 -3.0630000000e-04  2.2958000000e-03 -4.2169000000e-03  2.3149000000e-03
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1548200000e-01 -4.4760700000e-01  2.2554300000e-01 -1.2329000000e-01  2.8095600000e-01 -9.0669500000e-01  2.0754440000e+00 -1.7042370000e+00  4.4194000000e-01  1.3085440000e+00 -1.1933960000e+00  1.8283000000e-01  2.1338750000e+00 -1.5853580000e+00  1.3899300000e+00
-ENERGY -1.526600638710e+02
-FORCES  5.6790000000e-04 -1.9898000000e-03 -1.5294000000e-03  5.5235000000e-03  1.6171000000e-03 -1.4756000000e-03  2.9370000000e-04 -2.6398000000e-03  5.0656000000e-03 -1.1516500000e-02  1.1828000000e-02 -4.1100000000e-05  5.8559000000e-03 -8.0621000000e-03  2.7940000000e-04 -7.2450000000e-04 -7.5340000000e-04 -2.2989000000e-03
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7158200000e-01  1.4239400000e-01  6.6703300000e-01  9.9786000000e-02 -9.5110600000e-01 -4.0883000000e-02  2.0071870000e+00  1.7590400000e+00  1.7629000000e-01  1.2642170000e+00  1.1560180000e+00  1.5195100000e-01  1.6769590000e+00  2.5630320000e+00 -2.2468000000e-01
-ENERGY -1.526600327332e+02
-FORCES  5.5187000000e-03  1.0925000000e-03  1.8418000000e-03  4.1799000000e-03 -7.1820000000e-04 -3.5639000000e-03 -2.2644000000e-03  4.6647000000e-03  1.1192000000e-03 -1.2473400000e-02 -1.0047600000e-02 -3.0258000000e-03  5.4958000000e-03  7.7301000000e-03  2.1750000000e-03 -4.5640000000e-04 -2.7214000000e-03  1.4537000000e-03
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7003000000e-01 -3.6290400000e-01  4.3770700000e-01 -2.4739100000e-01  4.3904000000e-02 -9.2363500000e-01 -8.1524000000e-01 -5.7277000000e-02 -2.5790730000e+00 -1.5414140000e+00 -6.7999800000e-01 -2.6125440000e+00 -1.1261610000e+00  7.0078700000e-01 -3.0739450000e+00
-ENERGY -1.526593490864e+02
-FORCES -6.1446000000e-03 -2.7730000000e-04 -1.4716600000e-02  1.5012000000e-03  5.2900000000e-04 -2.3384000000e-03  2.0694000000e-03 -7.3380000000e-04  9.5809000000e-03 -1.3795000000e-03  1.0016000000e-03  3.8437000000e-03  3.3426000000e-03  4.2417000000e-03  1.2408000000e-03  6.1090000000e-04 -4.7611000000e-03  2.3896000000e-03
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6218300000e-01  6.9088900000e-01  2.0442000000e-02  3.8456000000e-01 -7.1603400000e-01  5.0560900000e-01  2.8953030000e+00 -1.0054180000e+00 -1.5562040000e+00  2.1720050000e+00 -1.6296200000e+00 -1.4975150000e+00  2.5625440000e+00 -3.0452400000e-01 -2.1167850000e+00
-ENERGY -1.526563646863e+02
-FORCES  5.6588000000e-03  5.1020000000e-04  3.6307000000e-03 -3.6794000000e-03 -2.1557000000e-03 -8.6030000000e-04 -2.3805000000e-03  1.9285000000e-03 -2.8480000000e-03 -5.8668000000e-03  1.2080000000e-04 -3.4996000000e-03  3.9144000000e-03  1.6973000000e-03  9.2420000000e-04  2.3534000000e-03 -2.1011000000e-03  2.6530000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7099900000e-01  8.7882700000e-01  2.6543200000e-01  1.2547800000e-01 -1.3503000000e-02 -9.4884400000e-01  3.0971800000e-01  6.4653100000e-01 -2.8845740000e+00  2.4246100000e-01  1.5998930000e+00 -2.8315750000e+00  1.1918720000e+00  4.8645000000e-01 -3.2198510000e+00
-ENERGY -1.526601072848e+02
-FORCES  1.5539000000e-03  3.9694000000e-03 -9.3776000000e-03 -8.4450000000e-04 -2.2302000000e-03 -8.2870000000e-04  1.5900000000e-05 -2.0917000000e-03  9.7769000000e-03  2.5616000000e-03  4.1309000000e-03 -2.9655000000e-03  1.1584000000e-03 -4.9456000000e-03  7.6310000000e-04 -4.4454000000e-03  1.1672000000e-03  2.6318000000e-03
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1411600000e-01  2.7286100000e-01  7.8556000000e-02  4.8774200000e-01  6.4447100000e-01  5.1283200000e-01 -2.4487350000e+00  9.6169900000e-01  2.4991500000e-01 -3.1459780000e+00  3.0637300000e-01  2.2475900000e-01 -2.8476950000e+00  1.7507870000e+00 -1.1669500000e-01
-ENERGY -1.526590000972e+02
-FORCES -1.5540900000e-02  8.9338000000e-03  3.0963000000e-03  5.5911000000e-03 -5.8029000000e-03  3.4800000000e-05 -1.4090000000e-03 -1.0009000000e-03 -1.5933000000e-03  7.2758000000e-03 -1.6633000000e-03 -3.4364000000e-03  3.9716000000e-03  3.9939000000e-03 -7.1440000000e-04  1.1150000000e-04 -4.4606000000e-03  2.6130000000e-03
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0762600000e-01  4.7909700000e-01 -1.8557500000e-01  2.9431800000e-01 -8.3236600000e-01  3.6983200000e-01 -8.6585600000e-01  6.7909000000e-02 -2.3880160000e+00 -2.4620800000e-01  6.9991300000e-01 -2.7524880000e+00 -5.9594000000e-01 -3.3856000000e-02 -1.4753160000e+00
-ENERGY -1.526539695194e+02
-FORCES -2.2640000000e-03 -1.2326000000e-03 -1.4506700000e-02 -5.5916000000e-03 -3.5309000000e-03 -2.0234000000e-03 -9.2490000000e-04  5.2607000000e-03 -2.9276000000e-03  8.1530000000e-03 -4.1450000000e-04  2.4576500000e-02 -1.1470000000e-04 -1.6146000000e-03  3.3599000000e-03  7.4210000000e-04  1.5318000000e-03 -8.4788000000e-03
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1753000000e-01  7.2362000000e-01  1.0612700000e-01  4.4997100000e-01 -7.5659000000e-01  3.7593800000e-01 -1.0862950000e+00  6.5843000000e-02 -2.7814140000e+00 -3.6076000000e-01  4.0554100000e-01 -3.3052810000e+00 -7.8263900000e-01  1.3668600000e-01 -1.8764250000e+00
-ENERGY -1.526607227716e+02
-FORCES  4.0810000000e-03 -2.1604000000e-03  3.1714000000e-03 -2.8523000000e-03 -3.8782000000e-03 -1.8636000000e-03 -1.2761000000e-03  4.5037000000e-03 -9.8190000000e-04  5.0981000000e-03  2.0360000000e-04  7.3583000000e-03 -1.9486000000e-03 -8.1690000000e-04  2.0643000000e-03 -3.1020000000e-03  2.1482000000e-03 -9.7485000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6766000000e-01 -8.1163800000e-01 -4.7892200000e-01 -8.0536000000e-02 -2.4436300000e-01  9.2197200000e-01 -1.0970710000e+00  2.4308920000e+00 -1.1328350000e+00 -3.7758000000e-01  3.0601150000e+00 -1.0814430000e+00 -7.7184100000e-01  1.6564380000e+00 -6.7383800000e-01
-ENERGY -1.526620848748e+02
-FORCES -1.3304000000e-03 -3.8709000000e-03  5.4000000000e-04  9.4560000000e-04  3.3821000000e-03  3.4782000000e-03  4.2730000000e-04  6.4350000000e-04 -4.7564000000e-03  6.3221000000e-03 -7.0270000000e-03  4.2416000000e-03 -2.0771000000e-03 -1.8939000000e-03  1.6230000000e-04 -4.2875000000e-03  8.7663000000e-03 -3.6656000000e-03
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5085300000e-01 -5.8601300000e-01  9.5081000000e-02 -3.3652000000e-01  7.4155400000e-01 -5.0307400000e-01 -2.2357690000e+00 -1.6683670000e+00 -2.6009700000e-01 -1.9431420000e+00 -2.5786380000e+00 -3.0489900000e-01 -3.0876500000e+00 -1.7112420000e+00  1.7428900000e-01
-ENERGY -1.526611049164e+02
-FORCES -1.1829800000e-02 -4.7434000000e-03 -2.7987000000e-03  8.5827000000e-03  3.4876000000e-03  1.4414000000e-03  1.1179000000e-03 -1.4959000000e-03  1.6394000000e-03 -1.4840000000e-04 -1.6224000000e-03  1.1350000000e-03 -1.8605000000e-03  5.0295000000e-03  1.2032000000e-03  4.1381000000e-03 -6.5550000000e-04 -2.6203000000e-03
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6604400000e-01 -6.8730200000e-01  1.5262000000e-02 -3.6774300000e-01  6.7801000000e-01 -5.6683300000e-01 -2.4373060000e+00 -1.7251640000e+00 -1.8034600000e-01 -2.1271720000e+00 -2.6267100000e+00 -2.6557300000e-01 -3.1688730000e+00 -1.7801460000e+00  4.3448700000e-01
-ENERGY -1.526610211660e+02
-FORCES -9.6784000000e-03 -2.7139000000e-03 -2.3989000000e-03  9.0495000000e-03  2.5657000000e-03  2.9000000000e-04  1.8496000000e-03 -1.2620000000e-03  1.8077000000e-03 -3.7636000000e-03 -3.2005000000e-03  2.5127000000e-03 -5.9870000000e-04  5.3395000000e-03  1.2176000000e-03  3.1416000000e-03 -7.2880000000e-04 -3.4291000000e-03
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4266500000e-01 -5.9191100000e-01  1.1967200000e-01 -3.7324600000e-01  7.6948300000e-01 -4.2990100000e-01 -1.6808860000e+00 -9.7262000000e-01 -2.9211740000e+00 -1.9184780000e+00 -1.8508550000e+00 -3.2186380000e+00 -1.7063460000e+00 -1.0277240000e+00 -1.9659010000e+00
-ENERGY -1.526525446781e+02
-FORCES -3.1686000000e-03  2.2379000000e-03 -8.7090000000e-04  2.1813000000e-03  1.7620000000e-03 -3.2208000000e-03  1.1058000000e-03 -4.2587000000e-03  2.5313000000e-03  3.2710000000e-04 -4.5549000000e-03  2.1556000000e-03  9.4610000000e-04  3.7837000000e-03  1.4876000000e-03 -1.3917000000e-03  1.0300000000e-03 -2.0830000000e-03
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3778000000e-02 -8.9644900000e-01 -3.3124000000e-01 -3.5947000000e-02 -9.3344000000e-02  9.5195900000e-01  1.6689510000e+00  8.3926200000e-01 -3.2155810000e+00  1.0369610000e+00  1.2102600000e-01 -3.1846500000e+00  1.2519520000e+00  1.5023270000e+00 -3.7657520000e+00
-ENERGY -1.526530328253e+02
-FORCES  5.1170000000e-04 -3.7777000000e-03  3.3641000000e-03 -4.9600000000e-05  3.8535000000e-03  2.9810000000e-04  1.1300000000e-05  4.3420000000e-04 -3.9896000000e-03 -5.2430000000e-03  3.8960000000e-04 -4.6120000000e-04  2.8140000000e-03  1.7667000000e-03 -1.0100000000e-03  1.9556000000e-03 -2.6662000000e-03  1.7986000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9897000000e-02 -8.2578400000e-01 -4.8033800000e-01 -3.5786100000e-01 -1.9911300000e-01  8.6517100000e-01  2.6413060000e+00  1.2024470000e+00 -4.2648400000e-01  1.8757190000e+00  7.9561600000e-01 -2.0778000000e-02  2.3758270000e+00  1.3638010000e+00 -1.3318670000e+00
-ENERGY -1.526607825789e+02
-FORCES -2.3131000000e-03 -4.1140000000e-03  5.3230000000e-04  1.8700000000e-04  4.2553000000e-03  2.5669000000e-03  2.4879000000e-03  5.6940000000e-04 -4.3963000000e-03 -1.1053400000e-02 -2.9351000000e-03 -9.8690000000e-04  8.7804000000e-03  2.8458000000e-03  3.7850000000e-04  1.9113000000e-03 -6.2130000000e-04  1.9054000000e-03
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0092100000e-01  7.4124100000e-01  7.5416000000e-02  2.6307100000e-01 -5.9464600000e-01  7.0244000000e-01  1.8410290000e+00  1.8555100000e+00  5.8683900000e-01  2.6903620000e+00  1.8001510000e+00  1.4888800000e-01  1.6146640000e+00  2.7850100000e+00  5.5487400000e-01
-ENERGY -1.526600001222e+02
-FORCES  1.2582700000e-02  1.0676300000e-02  6.3542000000e-03 -6.4722000000e-03 -4.8340000000e-03 -3.3577000000e-03 -4.9470000000e-04  9.3720000000e-04 -2.0093000000e-03 -2.5876000000e-03 -2.5236000000e-03 -2.6818000000e-03 -4.7441000000e-03  1.0323000000e-03  2.4535000000e-03  1.7159000000e-03 -5.2883000000e-03 -7.5890000000e-04
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0981800000e-01 -5.0856000000e-01 -4.2342000000e-02 -2.4312100000e-01  8.6607600000e-01 -3.2716300000e-01 -1.4729970000e+00 -6.9306600000e-01 -2.9458150000e+00 -1.5354710000e+00 -1.6252980000e+00 -3.1538350000e+00 -1.7669940000e+00 -6.2972400000e-01 -2.0370880000e+00
-ENERGY -1.526511427432e+02
-FORCES -2.8223000000e-03  2.1002000000e-03 -2.6038000000e-03  1.6168000000e-03  1.8934000000e-03 -2.2180000000e-03  2.3260000000e-04 -4.2191000000e-03  2.1835000000e-03  2.9540000000e-04 -4.2566000000e-03  2.7510000000e-03 -4.6000000000e-05  4.1051000000e-03  1.0622000000e-03  7.2350000000e-04  3.7690000000e-04 -1.1749000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8546400000e-01 -4.1271400000e-01  3.5909100000e-01 -1.6074700000e-01  4.2349000000e-02 -9.4265500000e-01 -2.5326290000e+00 -1.1378980000e+00  3.7222400000e-01 -2.7968660000e+00 -2.0148380000e+00  9.4042000000e-02 -2.8015380000e+00 -1.0858660000e+00  1.2894010000e+00
-ENERGY -1.526599126886e+02
-FORCES -1.3124000000e-02 -5.3360000000e-03 -2.1341000000e-03  7.3690000000e-03  3.9444000000e-03  3.1086000000e-03  1.7519000000e-03 -3.6200000000e-05  1.8716000000e-03  3.0120000000e-04 -2.6030000000e-03  2.7740000000e-04  4.7390000000e-04  4.5904000000e-03  1.8088000000e-03  3.2280000000e-03 -5.5950000000e-04 -4.9323000000e-03
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0644000000e-02 -8.0971700000e-01 -5.1006300000e-01 -1.7166700000e-01 -2.8587300000e-01  8.9723900000e-01 -1.8029810000e+00  2.1553740000e+00  2.3007530000e+00 -1.0732730000e+00  2.6078150000e+00  1.8776040000e+00 -1.5083150000e+00  2.0138070000e+00  3.2003990000e+00
-ENERGY -1.526553882582e+02
-FORCES -2.0951000000e-03 -4.4996000000e-03  1.7317000000e-03 -6.4900000000e-05  3.1534000000e-03  2.1657000000e-03  2.5545000000e-03  5.0710000000e-04 -3.8307000000e-03  3.8481000000e-03  2.8803000000e-03  7.9060000000e-04 -3.2771000000e-03 -1.6945000000e-03  3.1368000000e-03 -9.6550000000e-04 -3.4680000000e-04 -3.9942000000e-03
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0236400000e-01  5.1184300000e-01 -1.0228000000e-01  3.0002400000e-01 -8.6074300000e-01  2.9213000000e-01  1.6076800000e+00  5.3101200000e-01  2.7664430000e+00  1.7003780000e+00  1.4644340000e+00  2.9571300000e+00  2.1311720000e+00  3.9423100000e-01  1.9768360000e+00
-ENERGY -1.526512197011e+02
-FORCES  3.8728000000e-03 -1.2915000000e-03  4.2085000000e-03 -1.5698000000e-03 -2.0365000000e-03  6.0680000000e-04 -3.8040000000e-04  3.4247000000e-03 -2.5901000000e-03  6.6130000000e-04  3.9892000000e-03 -2.5669000000e-03 -8.2000000000e-06 -4.0566000000e-03 -1.0462000000e-03 -2.5756000000e-03 -2.9300000000e-05  1.3879000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0934600000e-01  2.9092200000e-01  6.8457000000e-02  5.0374500000e-01  6.7954600000e-01  4.4798400000e-01  1.2032910000e+00  2.2594410000e+00  1.2445950000e+00  2.0370330000e+00  2.6466800000e+00  9.7785100000e-01  1.3234370000e+00  2.0447480000e+00  2.1696380000e+00
-ENERGY -1.526613967348e+02
-FORCES  2.4912000000e-03  1.1246700000e-02  4.3227000000e-03  2.4023000000e-03 -1.1936000000e-03  1.3720000000e-04 -3.5984000000e-03 -9.2900000000e-03 -2.1708000000e-03  3.3245000000e-03  9.0310000000e-04  8.1900000000e-04 -3.9891000000e-03 -1.9170000000e-03  2.4775000000e-03 -6.3050000000e-04  2.5090000000e-04 -5.5856000000e-03
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3396400000e-01 -7.1487800000e-01 -5.7185000000e-02 -5.0886400000e-01  7.8789000000e-01 -1.9109900000e-01  1.4387160000e+00  2.8299580000e+00  9.3590100000e-01  2.1261510000e+00  2.2661070000e+00  1.2904940000e+00  1.3475380000e+00  2.5528730000e+00  2.4231000000e-02
-ENERGY -1.526556956884e+02
-FORCES -5.6631000000e-03  2.9040000000e-04  2.7720000000e-04  2.5474000000e-03  3.1502000000e-03  5.1790000000e-04  3.1469000000e-03 -3.3727000000e-03 -1.2658000000e-03  3.3233000000e-03 -6.1554000000e-03 -1.7198000000e-03 -1.7457000000e-03  3.7692000000e-03 -9.2560000000e-04 -1.6089000000e-03  2.3183000000e-03  3.1161000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7370300000e-01  3.6851500000e-01 -4.2639500000e-01  2.2584200000e-01 -2.1531000000e-02  9.2992700000e-01  6.4927300000e-01 -1.7980000000e-03  2.8528030000e+00  1.2781450000e+00  7.1969800000e-01  2.8667940000e+00  1.1195560000e+00 -7.3769400000e-01  3.2446210000e+00
-ENERGY -1.526604525633e+02
-FORCES  3.5816000000e-03  5.4100000000e-05  9.0713000000e-03 -1.9910000000e-03 -8.5090000000e-04  2.3710000000e-03 -6.0400000000e-04  1.7848000000e-03 -1.0939600000e-02  3.7465000000e-03 -9.3840000000e-04  3.5938000000e-03 -3.0166000000e-03 -4.4878000000e-03 -2.2271000000e-03 -1.7165000000e-03  4.4382000000e-03 -1.8695000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5158100000e-01 -3.0171800000e-01  5.1022000000e-01 -3.0788200000e-01 -4.3410000000e-03 -9.0632300000e-01 -2.6525600000e+00 -8.5696100000e-01  2.7111100000e-01 -2.7474460000e+00 -1.7009800000e+00 -1.7031900000e-01 -2.8169140000e+00 -1.0491530000e+00  1.1943020000e+00
-ENERGY -1.526574498430e+02
-FORCES -1.5081300000e-02 -3.1365000000e-03 -2.2223000000e-03  6.5359000000e-03  6.9310000000e-04  4.5749000000e-03  3.1315000000e-03 -1.6890000000e-04  8.2670000000e-04  5.8670000000e-04 -3.4096000000e-03 -4.0620000000e-04  7.8730000000e-04  4.6251000000e-03  2.1644000000e-03  4.0398000000e-03  1.3969000000e-03 -4.9375000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9387500000e-01  6.0871100000e-01  2.5345500000e-01  1.6348500000e-01 -7.8278500000e-01  5.2607300000e-01 -1.8347530000e+00 -2.8828990000e+00 -5.8438800000e-01 -2.5262110000e+00 -2.4033220000e+00 -1.0405930000e+00 -1.8018740000e+00 -2.4863450000e+00  2.8618400000e-01
-ENERGY -1.526543289643e+02
-FORCES  4.7623000000e-03 -1.1629000000e-03  2.1937000000e-03 -2.9496000000e-03 -2.6892000000e-03 -1.2252000000e-03 -2.1767000000e-03  3.6678000000e-03 -5.5700000000e-04 -3.3341000000e-03  5.4364000000e-03  3.5580000000e-04  2.0171000000e-03 -3.1357000000e-03  1.8638000000e-03  1.6809000000e-03 -2.1165000000e-03 -2.6311000000e-03
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5557500000e-01 -4.3063000000e-02 -3.5411000000e-02 -2.9347200000e-01 -6.7072200000e-01 -6.1663400000e-01 -3.7283200000e-01  2.6190680000e+00 -4.3445000000e-01 -1.2042110000e+00  2.9227340000e+00 -6.9994000000e-02 -4.8021800000e-01  1.6718070000e+00 -5.2044900000e-01
-ENERGY -1.526592614513e+02
-FORCES  4.6588000000e-03  3.6082000000e-03 -2.0050000000e-04 -5.5847000000e-03 -1.0512000000e-03 -7.6770000000e-04  1.1658000000e-03  5.4949000000e-03  2.3386000000e-03 -3.8960000000e-04 -1.4707700000e-02  4.0520000000e-03  2.0807000000e-03 -2.2374000000e-03 -1.1538000000e-03 -1.9309000000e-03  8.8932000000e-03 -4.2686000000e-03
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3453500000e-01  6.1209700000e-01  4.5029000000e-02  2.9160700000e-01 -7.6204800000e-01  5.0048000000e-01  1.0768250000e+00 -2.1217340000e+00  1.2774420000e+00  1.0691000000e+00 -2.9861910000e+00  8.6648300000e-01  7.5726900000e-01 -2.2757880000e+00  2.1664770000e+00
-ENERGY -1.526606939309e+02
-FORCES  8.8240000000e-03 -1.1516200000e-02  7.3405000000e-03 -1.8159000000e-03 -1.7173000000e-03  2.3550000000e-04 -5.0640000000e-03  7.5483000000e-03 -3.0244000000e-03 -3.0485000000e-03  9.7190000000e-04 -2.6663000000e-03 -1.5710000000e-04  4.0379000000e-03  3.5108000000e-03  1.2615000000e-03  6.7540000000e-04 -5.3961000000e-03
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0270600000e-01 -2.4824000000e-01 -1.9932600000e-01 -5.3401200000e-01 -6.5124700000e-01 -4.5490600000e-01 -2.3673080000e+00 -1.9726770000e+00  2.1486880000e+00 -3.1488630000e+00 -2.5196230000e+00  2.0696060000e+00 -2.6210900000e+00 -1.1342510000e+00  1.7628540000e+00
-ENERGY -1.526548967327e+02
-FORCES  2.4358000000e-03 -4.8476000000e-03 -1.8776000000e-03 -3.5302000000e-03  1.2694000000e-03  3.2790000000e-04  1.4790000000e-03  3.6887000000e-03  1.3391000000e-03 -4.0302000000e-03  2.2911000000e-03 -6.9220000000e-04  3.4988000000e-03  2.2092000000e-03 -3.4800000000e-05  1.4690000000e-04 -4.6109000000e-03  9.3750000000e-04
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4456300000e-01 -6.8525200000e-01 -1.7663700000e-01 -3.6772700000e-01  7.8550600000e-01 -4.0495600000e-01  8.4151900000e-01 -3.9629000000e-02  2.5914030000e+00  1.6665700000e-01 -5.0884700000e-01  3.0819400000e+00  4.3996300000e-01  1.3838100000e-01  1.7409350000e+00
-ENERGY -1.526593260939e+02
-FORCES -1.2112000000e-03 -1.4963000000e-03  1.3516000000e-03  2.6540000000e-03  4.4442000000e-03  1.3992000000e-03  1.4370000000e-03 -4.5748000000e-03  3.1140000000e-03 -5.8340000000e-03 -4.6760000000e-04 -1.3303700000e-02  1.3348000000e-03  9.5070000000e-04 -2.6800000000e-03  1.6194000000e-03  1.1438000000e-03  1.0118900000e-02
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1858000000e-02 -9.2495500000e-01 -2.4606800000e-01 -3.1005000000e-01  3.4630000000e-03  9.0558800000e-01 -1.4197820000e+00  1.8318010000e+00 -1.3829860000e+00 -8.9622500000e-01  2.6101920000e+00 -1.5733220000e+00 -8.5004700000e-01  1.2859980000e+00 -8.4101500000e-01
-ENERGY -1.526606106358e+02
-FORCES -4.7825000000e-03 -4.4880000000e-04 -3.3312000000e-03  2.8580000000e-04  3.9586000000e-03  3.2461000000e-03  1.1115000000e-03  1.9550000000e-04 -5.4700000000e-03  9.3735000000e-03 -9.2983000000e-03  6.2830000000e-03 -4.8180000000e-04 -3.0355000000e-03  1.5314000000e-03 -5.5064000000e-03  8.6285000000e-03 -2.2593000000e-03
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5638400000e-01 -8.7102400000e-01  3.0301200000e-01 -9.2220700000e-01  7.7340000000e-02  2.4450700000e-01 -2.5289660000e+00  7.7106500000e-01  6.8511200000e-01 -3.3455040000e+00  2.9397400000e-01  8.3303700000e-01 -2.7818260000e+00  1.5164330000e+00  1.4039100000e-01
-ENERGY -1.526607186972e+02
-FORCES -1.1923500000e-02  1.6866000000e-03  4.6429000000e-03 -2.3464000000e-03  2.3446000000e-03 -4.0480000000e-04  9.3033000000e-03 -3.0424000000e-03 -3.2284000000e-03  1.1604000000e-03  6.6750000000e-04 -2.9797000000e-03  3.8186000000e-03  2.7754000000e-03 -1.0809000000e-03 -1.2500000000e-05 -4.4317000000e-03  3.0509000000e-03
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9944600000e-01  6.0662000000e-01 -4.3463700000e-01  3.4270200000e-01 -7.9507000000e-02  8.9020600000e-01  2.6170170000e+00  1.2703770000e+00 -4.3194400000e-01  2.7193870000e+00  2.2199240000e+00 -3.6781000000e-01  2.6983460000e+00  1.0828470000e+00 -1.3670640000e+00
-ENERGY -1.526588590606e+02
-FORCES  1.1056300000e-02  4.5957000000e-03  2.5610000000e-03 -6.9132000000e-03 -2.4094000000e-03 -3.0225000000e-03 -3.0878000000e-03 -6.4300000000e-04 -1.6092000000e-03  3.4009000000e-03  2.0845000000e-03 -2.6342000000e-03 -1.4523000000e-03 -5.0558000000e-03 -4.9250000000e-04 -3.0040000000e-03  1.4279000000e-03  5.1974000000e-03
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4352100000e-01 -7.0837500000e-01 -1.7815000000e-02 -4.8770900000e-01  7.7439600000e-01 -2.8050400000e-01 -3.2064300000e-01  2.8218790000e+00  2.1132750000e+00  5.6454400000e-01  2.5771750000e+00  1.8434690000e+00 -3.7335200000e-01  3.7616760000e+00  1.9393960000e+00
-ENERGY -1.526561680396e+02
-FORCES -5.9734000000e-03  4.9040000000e-04 -1.8100000000e-05  2.5684000000e-03  2.5895000000e-03 -4.1280000000e-04  3.0572000000e-03 -3.6780000000e-03 -3.9960000000e-04  4.6059000000e-03  2.0910000000e-03 -2.1660000000e-04 -4.2437000000e-03  2.7084000000e-03  8.9640000000e-04 -1.4500000000e-05 -4.2012000000e-03  1.5070000000e-04
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3279000000e-02 -8.3419700000e-01 -4.6365600000e-01 -4.4481000000e-02 -2.3575900000e-01  9.2664500000e-01  2.4785500000e+00  1.1572940000e+00 -6.1390000000e-01  1.7120200000e+00  6.8906200000e-01 -2.8311100000e-01  2.2907010000e+00  1.3000560000e+00 -1.5415660000e+00
-ENERGY -1.526603138622e+02
-FORCES -1.6920000000e-04 -2.7914000000e-03  9.1120000000e-04  1.3000000000e-03  4.8054000000e-03  2.5020000000e-03  1.7153000000e-03  1.0225000000e-03 -5.5775000000e-03 -1.3742000000e-02 -4.1464000000e-03  1.9470000000e-04  9.9643000000e-03  2.0446000000e-03 -1.8480000000e-04  9.3170000000e-04 -9.3470000000e-04  2.1545000000e-03
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1198500000e-01  2.6282300000e-01 -4.3340200000e-01  2.5243200000e-01 -1.5216200000e-01  9.1069000000e-01  1.4237540000e+00 -2.6836640000e+00  4.4711900000e-01  1.3719870000e+00 -3.6227560000e+00  2.6918900000e-01  6.1546400000e-01 -2.4839710000e+00  9.1937200000e-01
-ENERGY -1.526543028464e+02
-FORCES  7.8011000000e-03 -1.2941000000e-03  1.8930000000e-04 -4.1087000000e-03  1.1202000000e-03  1.5781000000e-03 -2.6475000000e-03 -1.7099000000e-03 -2.7573000000e-03 -5.5338000000e-03 -1.9932000000e-03 -5.7520000000e-04 -5.4400000000e-05  4.0471000000e-03  4.3060000000e-04  4.5433000000e-03 -1.7000000000e-04  1.1345000000e-03
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2735100000e-01 -2.0956100000e-01 -1.1106500000e-01 -4.6207900000e-01 -7.3450800000e-01 -4.0399600000e-01  2.7193680000e+00 -5.4795000000e-01 -5.0825400000e-01  3.3135500000e+00  1.4389900000e-01 -7.9898400000e-01  3.2738630000e+00 -1.1452460000e+00 -6.2530000000e-03
-ENERGY -1.526617845570e+02
-FORCES  1.0298500000e-02 -4.2533000000e-03 -3.5032000000e-03 -9.6282000000e-03  1.8383000000e-03  2.0447000000e-03  1.6536000000e-03  1.7303000000e-03  1.3375000000e-03  1.3982000000e-03  1.6801000000e-03  1.1753000000e-03 -1.7474000000e-03 -4.2625000000e-03  1.9199000000e-03 -1.9747000000e-03  3.2671000000e-03 -2.9743000000e-03
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8152200000e-01 -3.0952700000e-01  4.5787400000e-01 -3.2831500000e-01  3.3951800000e-01 -8.3256700000e-01  1.3355290000e+00  2.0795440000e+00  1.3076990000e+00  2.2299780000e+00  1.7512260000e+00  1.2160470000e+00  7.8885900000e-01  1.4000420000e+00  9.1316000000e-01
-ENERGY -1.526615157890e+02
-FORCES -2.6036000000e-03  8.9790000000e-04 -1.0269000000e-03  4.0871000000e-03  2.6890000000e-03 -2.6635000000e-03  1.4342000000e-03 -1.5111000000e-03  5.1809000000e-03 -3.6153000000e-03 -1.1967300000e-02 -6.3495000000e-03 -2.3047000000e-03  1.1496000000e-03  1.0740000000e-04  3.0023000000e-03  8.7420000000e-03  4.7517000000e-03
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3683300000e-01 -4.5968400000e-01  6.8074000000e-02 -2.2571700000e-01  8.5710600000e-01 -3.6146000000e-01 -2.2652790000e+00 -1.6316390000e+00 -1.2026800000e-01 -2.1286020000e+00 -2.5626120000e+00  5.5347000000e-02 -3.1155160000e+00 -1.4354850000e+00  2.7324400000e-01
-ENERGY -1.526611358110e+02
-FORCES -1.0695600000e-02 -5.2198000000e-03 -1.9822000000e-03  7.9161000000e-03  6.5665000000e-03  1.3100000000e-03 -3.5440000000e-04 -2.6388000000e-03  1.3269000000e-03  8.2690000000e-04 -2.2228000000e-03  1.6751000000e-03 -2.1313000000e-03  4.6738000000e-03 -4.1180000000e-04  4.4382000000e-03 -1.1590000000e-03 -1.9179000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4043200000e-01  4.3649100000e-01 -1.3921700000e-01  2.3272100000e-01 -8.9004100000e-01  2.6438600000e-01 -2.6222890000e+00  9.7938600000e-01  2.5881000000e-01 -1.7476440000e+00  6.3786600000e-01  7.2819000000e-02 -3.2133740000e+00  2.6108600000e-01  3.3210000000e-02
-ENERGY -1.526609105835e+02
-FORCES  5.3520000000e-04  6.9360000000e-04  1.4300000000e-03 -2.9628000000e-03 -3.6173000000e-03  1.0375000000e-03 -2.4270000000e-04  4.2801000000e-03 -1.7409000000e-03  9.4825000000e-03 -5.2886000000e-03 -2.0504000000e-03 -9.2995000000e-03  2.5506000000e-03  4.2080000000e-04  2.4873000000e-03  1.3817000000e-03  9.0300000000e-04
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2085000000e-02  9.4450600000e-01  1.3764000000e-01  2.6144600000e-01 -1.3033200000e-01 -9.1153200000e-01 -2.4404130000e+00 -8.9138200000e-01  7.6466400000e-01 -1.6298680000e+00 -3.9863200000e-01  6.3642300000e-01 -2.3883150000e+00 -1.2086260000e+00  1.6662590000e+00
-ENERGY -1.526593388446e+02
-FORCES -3.3217000000e-03 -2.2162000000e-03 -4.0016000000e-03 -2.7574000000e-03 -5.7222000000e-03 -2.2670000000e-04  3.4800000000e-05  2.2815000000e-03  4.7413000000e-03  1.4116700000e-02  3.0161000000e-03 -2.6594000000e-03 -9.0160000000e-03  9.8590000000e-04  4.7902000000e-03  9.4360000000e-04  1.6549000000e-03 -2.6438000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7444300000e-01 -4.5193700000e-01  3.3499600000e-01 -1.6328900000e-01  9.2344000000e-02 -9.3863800000e-01  2.1549110000e+00 -1.6457030000e+00  6.8410700000e-01  1.4743850000e+00 -1.2347790000e+00  1.5094900000e-01  1.9767230000e+00 -1.3440630000e+00  1.5748900000e+00
-ENERGY -1.526590331640e+02
-FORCES -2.4767000000e-03 -1.2559000000e-03 -1.8080000000e-04  4.9024000000e-03  1.9097000000e-03 -1.8033000000e-03  1.9108000000e-03 -2.3647000000e-03  5.2208000000e-03 -1.0737400000e-02  1.0782400000e-02 -4.7550000000e-04  5.4659000000e-03 -6.7981000000e-03 -1.4711000000e-03  9.3500000000e-04 -2.2734000000e-03 -1.2900000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8422400000e-01 -3.2233700000e-01  1.7457900000e-01 -2.4411000000e-02  2.8486200000e-01 -9.1350400000e-01  1.5063770000e+00  1.6783350000e+00  1.7005060000e+00  2.3457840000e+00  1.2225990000e+00  1.7632060000e+00  1.0300350000e+00  1.2106490000e+00  1.0145040000e+00
-ENERGY -1.526611346757e+02
-FORCES -3.6865000000e-03  1.5170000000e-04  8.2420000000e-04  4.0229000000e-03  1.1264000000e-03 -2.6974000000e-03  2.9820000000e-04 -7.9750000000e-04  5.3467000000e-03 -4.4205000000e-03 -8.9893000000e-03 -6.3151000000e-03 -2.4247000000e-03  1.2755000000e-03 -5.5420000000e-04  6.2105000000e-03  7.2332000000e-03  3.3957000000e-03
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7338000000e-01  2.5803600000e-01  2.9471400000e-01 -7.5628000000e-02 -9.2066900000e-01  2.5076000000e-01 -2.8599320000e+00  5.7547700000e-01  8.9338000000e-02 -1.9153020000e+00  5.3800200000e-01 -6.0672000000e-02 -3.2230240000e+00 -8.4949000000e-02 -5.0077500000e-01
-ENERGY -1.526606573864e+02
-FORCES  2.9458000000e-03 -1.0708000000e-03  3.2923000000e-03 -3.3534000000e-03 -2.7993000000e-03 -1.1204000000e-03  1.2560000000e-04  4.6775000000e-03 -1.7968000000e-03  8.1664000000e-03 -1.4106000000e-03 -2.7875000000e-03 -9.7211000000e-03 -7.3320000000e-04  6.6500000000e-05  1.8368000000e-03  1.3364000000e-03  2.3459000000e-03
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5986400000e-01 -9.1986000000e-01 -5.0604000000e-02 -4.0570000000e-02  2.0986200000e-01  9.3302900000e-01 -1.3378890000e+00  2.1569880000e+00 -1.4145850000e+00 -5.3749300000e-01  2.6476140000e+00 -1.2278110000e+00 -1.2143110000e+00  1.3181070000e+00 -9.7046800000e-01
-ENERGY -1.526601982020e+02
-FORCES  4.9480000000e-04 -2.8497000000e-03  3.2460000000e-03  5.5410000000e-04  5.1405000000e-03  5.9100000000e-04 -3.2280000000e-04 -7.0230000000e-04 -5.2868000000e-03  8.3635000000e-03 -7.3911000000e-03  4.9639000000e-03 -2.8728000000e-03  1.8980000000e-04 -4.2310000000e-04 -6.2169000000e-03  5.6127000000e-03 -3.0910000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6344100000e-01 -3.5232600000e-01  2.1579500000e-01 -4.1904000000e-02  1.7937700000e-01 -9.3930800000e-01  2.2431580000e+00 -1.4137240000e+00  8.5187800000e-01  1.4675090000e+00 -8.8453000000e-01  6.6599100000e-01  2.3168720000e+00 -1.4045500000e+00  1.8061910000e+00
-ENERGY -1.526615119389e+02
-FORCES -1.6300000000e-05 -2.8617000000e-03 -2.7788000000e-03  4.1812000000e-03  1.9725000000e-03 -1.4588000000e-03 -1.2541000000e-03 -9.9170000000e-04  4.7899000000e-03 -9.6712000000e-03  7.0820000000e-03 -1.7592000000e-03  8.3925000000e-03 -5.4956000000e-03  4.0342000000e-03 -1.6322000000e-03  2.9440000000e-04 -2.8273000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7350500000e-01 -9.1196600000e-01  2.3333600000e-01 -8.4702400000e-01  1.9351200000e-01  4.0166700000e-01  4.8067400000e-01 -2.6339340000e+00  5.4465900000e-01  1.3300010000e+00 -3.0238550000e+00  3.3768600000e-01 -1.5899900000e-01 -3.2380230000e+00  1.6766000000e-01
-ENERGY -1.526608627067e+02
-FORCES  1.3489000000e-03 -1.3613200000e-02  4.6081000000e-03 -2.3576000000e-03  9.7101000000e-03 -2.1253000000e-03  2.0279000000e-03 -1.8578000000e-03 -1.2805000000e-03  3.6900000000e-04  2.0270000000e-03 -3.8317000000e-03 -5.0468000000e-03  9.0380000000e-04  6.1730000000e-04  3.6587000000e-03  2.8302000000e-03  2.0122000000e-03
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0551700000e-01 -2.7973900000e-01 -1.3422900000e-01 -5.1087700000e-01 -5.4561900000e-01 -5.9794400000e-01  2.5869860000e+00 -9.0704200000e-01 -7.5125400000e-01  3.2052310000e+00 -1.7680200000e-01 -7.2376900000e-01  2.9125070000e+00 -1.5219570000e+00 -9.3874000000e-02
-ENERGY -1.526614262487e+02
-FORCES  9.9604000000e-03 -5.7498000000e-03 -6.1578000000e-03 -8.3139000000e-03  3.8002000000e-03  5.0684000000e-03  1.0805000000e-03  1.3646000000e-03  1.9927000000e-03  3.4691000000e-03  6.1010000000e-04  1.2816000000e-03 -3.6981000000e-03 -4.1147000000e-03  8.5620000000e-04 -2.4981000000e-03  4.0896000000e-03 -3.0410000000e-03
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2124900000e-01 -3.2269300000e-01  3.7101300000e-01 -1.4525100000e-01 -6.2290000000e-03 -9.4609500000e-01  2.2433360000e+00 -1.5849790000e+00  5.1863400000e-01  1.4087670000e+00 -1.1867420000e+00  2.7138200000e-01  2.4609150000e+00 -1.1835260000e+00  1.3598990000e+00
-ENERGY -1.526606956209e+02
-FORCES -1.8683000000e-03 -6.7030000000e-04 -1.6086000000e-03  4.9446000000e-03  1.1391000000e-03 -2.2236000000e-03  9.8490000000e-04 -1.4498000000e-03  5.6929000000e-03 -1.0319100000e-02  1.0087000000e-02  3.5100000000e-04  6.7279000000e-03 -7.4427000000e-03 -3.7370000000e-04 -4.7010000000e-04 -1.6632000000e-03 -1.8379000000e-03
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8126700000e-01 -5.5165700000e-01 -3.9096000000e-02 -2.9264100000e-01  8.5350200000e-01 -3.1957500000e-01 -8.6235600000e-01  2.6458570000e+00  2.0675130000e+00 -1.1562460000e+00  3.5483210000e+00  2.1916870000e+00  4.3633000000e-02  2.7273480000e+00  1.7695640000e+00
-ENERGY -1.526553638608e+02
-FORCES -6.3606000000e-03  1.5865000000e-03  1.2850000000e-04  3.3416000000e-03  1.5028000000e-03 -6.7290000000e-04  2.9928000000e-03 -3.3243000000e-03  1.5050000000e-04  3.5609000000e-03  3.6221000000e-03  1.1388000000e-03  1.1579000000e-03 -4.0970000000e-03 -8.6850000000e-04 -4.6926000000e-03  7.0990000000e-04  1.2350000000e-04
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5356400000e-01  4.0997900000e-01 -1.3992200000e-01  5.2264600000e-01  6.7538200000e-01  4.3235600000e-01  1.4131880000e+00  1.8345150000e+00  1.1492400000e+00  2.2067750000e+00  2.3676320000e+00  1.1019480000e+00  1.3056600000e+00  1.6463940000e+00  2.0815920000e+00
-ENERGY -1.526573297067e+02
-FORCES  1.0078700000e-02  1.5057200000e-02  5.6569000000e-03  2.7243000000e-03 -1.1040000000e-04  1.3333000000e-03 -5.5812000000e-03 -5.0623000000e-03  2.9234000000e-03 -3.5226000000e-03 -8.4993000000e-03 -6.8786000000e-03 -4.1420000000e-03 -2.0190000000e-03  3.1173000000e-03  4.4270000000e-04  6.3380000000e-04 -6.1523000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1138800000e-01 -8.5627700000e-01 -1.1739600000e-01 -1.1592100000e-01  1.9651500000e-01  9.2961100000e-01  2.4165220000e+00  1.1526730000e+00 -5.8014700000e-01  1.6706560000e+00  6.3676500000e-01 -2.7395100000e-01  2.2333290000e+00  1.3134020000e+00 -1.5058020000e+00
-ENERGY -1.526599827971e+02
-FORCES  1.7577000000e-03 -8.0750000000e-04  6.4680000000e-04  1.1608000000e-03  4.7470000000e-03  1.3764000000e-03  2.2971000000e-03 -1.8498000000e-03 -5.4862000000e-03 -1.3671800000e-02 -6.2172000000e-03 -1.1452000000e-03  7.2474000000e-03  4.5416000000e-03  2.6106000000e-03  1.2088000000e-03 -4.1410000000e-04  1.9976000000e-03
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7611800000e-01 -9.3277700000e-01 -1.2305100000e-01 -6.1689000000e-02  1.3313800000e-01  9.4588600000e-01  2.4665850000e+00  1.1209600000e+00 -5.6707800000e-01  1.6293040000e+00  8.3324700000e-01 -2.0319100000e-01  2.2428400000e+00  1.4898120000e+00 -1.4215470000e+00
-ENERGY -1.526594489305e+02
-FORCES  2.6236000000e-03 -3.8545000000e-03 -2.2330000000e-04 -4.4210000000e-04  4.7390000000e-03  1.6302000000e-03  3.2791000000e-03 -1.3090000000e-04 -5.9505000000e-03 -1.3762000000e-02 -5.0539000000e-03 -1.0420000000e-03  7.1375000000e-03  5.3012000000e-03  3.5585000000e-03  1.1639000000e-03 -1.0009000000e-03  2.0271000000e-03
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7605000000e-02  6.9712100000e-01  6.5133100000e-01  2.4073600000e-01  4.5255600000e-01 -8.0837500000e-01 -1.7293530000e+00  4.2616220000e+00 -4.5621000000e-02 -2.5346520000e+00  3.7808260000e+00  1.4558800000e-01 -1.6450690000e+00  4.2194140000e+00 -9.9816800000e-01
-ENERGY -1.526551539697e+02
-FORCES  1.1562000000e-03  5.2198000000e-03 -2.4550000000e-04  1.2080000000e-04 -3.6387000000e-03 -2.6591000000e-03 -1.1964000000e-03 -2.0914000000e-03  2.8488000000e-03 -3.9149000000e-03 -1.1437000000e-03 -3.2788000000e-03  3.7779000000e-03  1.8602000000e-03 -7.2110000000e-04  5.6500000000e-05 -2.0610000000e-04  4.0557000000e-03
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1563900000e-01 -3.9340000000e-01  3.1016300000e-01 -1.2308000000e-01  9.4411000000e-02 -9.4454700000e-01 -2.5240970000e+00 -1.0724060000e+00  6.3163400000e-01 -2.5511550000e+00 -1.9492440000e+00  2.4867800000e-01 -2.7036420000e+00 -1.2110290000e+00  1.5615690000e+00
-ENERGY -1.526609728535e+02
-FORCES -1.3004000000e-02 -3.4874000000e-03  4.8800000000e-04  1.0152900000e-02  2.1597000000e-03 -1.5060000000e-03  4.0290000000e-04 -1.0004000000e-03  2.4428000000e-03 -1.1780000000e-04 -2.7900000000e-03  1.7050000000e-03  9.8800000000e-04  5.0291000000e-03  2.0901000000e-03  1.5780000000e-03  8.9100000000e-05 -5.2198000000e-03
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8476700000e-01  6.5470700000e-01  1.3669400000e-01  2.5242400000e-01 -7.3229600000e-01  5.6236700000e-01 -1.2343140000e+00 -3.0195100000e-01 -2.7868520000e+00 -3.3430200000e-01 -3.4234000000e-02 -2.9726970000e+00 -1.2674570000e+00 -3.8714800000e-01 -1.8340270000e+00
-ENERGY -1.526595186581e+02
-FORCES  4.1168000000e-03  6.9320000000e-04  3.0643000000e-03 -2.4770000000e-03 -3.5748000000e-03 -4.9490000000e-04 -1.0338000000e-03  3.5581000000e-03 -2.7661000000e-03  5.8976000000e-03  1.5647000000e-03  7.9524000000e-03 -2.5883000000e-03 -4.2940000000e-04 -1.5635000000e-03 -3.9152000000e-03 -1.8119000000e-03 -6.1921000000e-03
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9100000000e-02  9.5392400000e-01  2.1380000000e-03  7.7111900000e-01 -1.7566100000e-01 -5.3921300000e-01  2.3865100000e+00  2.0402110000e+00  1.7808050000e+00  2.7330530000e+00  1.1518080000e+00  1.8637500000e+00  1.5819570000e+00  2.0333590000e+00  2.2993410000e+00
-ENERGY -1.526563252077e+02
-FORCES  3.6031000000e-03  4.3559000000e-03 -3.1718000000e-03 -1.0493000000e-03 -4.3330000000e-03  5.7150000000e-04 -3.1468000000e-03 -2.6400000000e-04  2.3134000000e-03 -1.8976000000e-03 -4.7978000000e-03  3.7280000000e-03 -6.2010000000e-04  4.0234000000e-03 -7.6460000000e-04  3.1106000000e-03  1.0154000000e-03 -2.6765000000e-03
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8832000000e-01  2.7325300000e-01 -2.2902500000e-01  8.7690000000e-02  2.2144000000e-01  9.2709600000e-01 -2.1962470000e+00  1.5992080000e+00  4.4179000000e-02 -3.0966430000e+00  1.2843710000e+00  1.2416600000e-01 -2.0954270000e+00  1.8043600000e+00 -8.8532600000e-01
-ENERGY -1.526569938799e+02
-FORCES -1.2941200000e-02  1.0047500000e-02  5.6817000000e-03  3.6863000000e-03 -3.5855000000e-03 -6.6560000000e-03  1.6403000000e-03 -1.9777000000e-03 -1.8398000000e-03  1.1404000000e-03  1.8610000000e-04 -1.9421000000e-03  5.8310000000e-03  5.4560000000e-04 -8.2900000000e-04  6.4320000000e-04 -5.2159000000e-03  5.5852000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6421000000e-01  3.8397600000e-01 -5.7238100000e-01  4.4628000000e-01 -1.2086900000e-01  8.3812700000e-01 -2.0519100000e+00  1.9539990000e+00 -2.3278500000e-01 -1.3701690000e+00  1.2997000000e+00 -7.9968000000e-02 -2.4216820000e+00  1.7209140000e+00 -1.0843560000e+00
-ENERGY -1.526614315054e+02
-FORCES  3.7162000000e-03  9.7960000000e-04  1.4202000000e-03 -4.4109000000e-03 -1.3471000000e-03  3.2983000000e-03 -1.7110000000e-03  1.0946000000e-03 -4.7649000000e-03  6.6515000000e-03 -1.0269300000e-02 -4.2460000000e-04 -6.0501000000e-03  8.7434000000e-03 -1.6407000000e-03  1.8043000000e-03  7.9880000000e-04  2.1117000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9823400000e-01 -4.4160200000e-01  4.8341400000e-01  4.8770000000e-02 -3.6835900000e-01 -8.8213700000e-01  4.9481800000e-01 -7.0687300000e-01 -2.6211670000e+00  1.3461320000e+00 -1.1434130000e+00 -2.5906880000e+00 -1.1295400000e-01 -1.3862800000e+00 -2.9131450000e+00
-ENERGY -1.526588461658e+02
-FORCES  4.1398000000e-03 -4.0087000000e-03 -1.3250600000e-02 -1.4823000000e-03  8.0630000000e-04 -2.6228000000e-03 -2.8006000000e-03 -3.9720000000e-04  1.0478200000e-02  1.9856000000e-03 -1.8674000000e-03  1.6510000000e-04 -5.3433000000e-03  1.7384000000e-03  1.3861000000e-03  3.5008000000e-03  3.7286000000e-03  3.8440000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2532400000e-01 -2.3867100000e-01 -5.5162000000e-02 -4.3059800000e-01 -5.5707200000e-01 -6.4845100000e-01  2.6951710000e+00 -5.6288200000e-01 -6.5109600000e-01  3.2710540000e+00  1.8835800000e-01 -5.0886500000e-01  3.1773630000e+00 -1.3066890000e+00 -2.8988600000e-01
-ENERGY -1.526614256931e+02
-FORCES  1.0589000000e-02 -4.2992000000e-03 -5.3109000000e-03 -8.9946000000e-03  2.3627000000e-03  3.8063000000e-03  9.5290000000e-04  1.2416000000e-03  2.0635000000e-03  2.5853000000e-03  1.1373000000e-03  1.2109000000e-03 -2.6679000000e-03 -4.6197000000e-03 -7.3300000000e-05 -2.4649000000e-03  4.1773000000e-03 -1.6966000000e-03
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5837200000e-01  8.6656200000e-01 -1.9202000000e-01  8.3533400000e-01 -2.3072000000e-02 -4.6681500000e-01 -3.2204700000e-01  2.7509060000e+00 -6.5296400000e-01 -1.2324370000e+00  2.9327620000e+00 -4.1983100000e-01  1.6849600000e-01  3.4945310000e+00 -3.0278900000e-01
-ENERGY -1.526592251548e+02
-FORCES  2.6399000000e-03  1.2086000000e-02 -4.9416000000e-03 -4.5159000000e-03 -7.1824000000e-03  2.1969000000e-03 -1.6245000000e-03 -1.2622000000e-03  1.8174000000e-03  1.3277000000e-03  2.2554000000e-03  3.4293000000e-03  5.3351000000e-03 -3.2643000000e-03 -1.9340000000e-04 -3.1624000000e-03 -2.6323000000e-03 -2.3085000000e-03
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3479000000e-01 -4.5676500000e-01  1.0355200000e-01 -5.8990500000e-01 -6.5841600000e-01 -3.6706000000e-01 -3.8637000000e-01  2.8960170000e+00  1.9815900000e-01 -1.9939800000e-01  1.9721370000e+00  3.1667000000e-02 -1.1593190000e+00  2.8864990000e+00  7.6268600000e-01
-ENERGY -1.526615623533e+02
-FORCES  8.5130000000e-04 -3.1454000000e-03 -1.0622000000e-03 -4.5079000000e-03  1.1541000000e-03 -9.0270000000e-04  3.3674000000e-03  2.1933000000e-03  2.2162000000e-03 -9.7920000000e-04 -1.0017600000e-02  1.2200000000e-03 -5.9610000000e-04  9.4293000000e-03  3.4740000000e-04  1.8646000000e-03  3.8630000000e-04 -1.8186000000e-03
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9898900000e-01  7.5702300000e-01  5.0374000000e-01  3.8150300000e-01  1.2417200000e-01 -8.6906200000e-01  1.4537370000e+00 -2.2301420000e+00  1.3910350000e+00  6.6677700000e-01 -2.7698020000e+00  1.4664860000e+00  1.1271220000e+00 -1.3604120000e+00  1.1605470000e+00
-ENERGY -1.526598044331e+02
-FORCES  1.1654000000e-03  3.7724000000e-03 -4.7138000000e-03  1.0480000000e-04 -6.0629000000e-03 -1.5002000000e-03 -1.9424000000e-03  1.1280000000e-04  4.6308000000e-03 -8.3528000000e-03  4.9704000000e-03 -4.4600000000e-03  2.9887000000e-03  7.2200000000e-04  2.9940000000e-04  6.0363000000e-03 -3.5146000000e-03  5.7437000000e-03
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2571900000e-01  5.1145100000e-01 -3.5774700000e-01 -1.1253800000e-01  5.4952000000e-02  9.4897200000e-01 -3.6334100000e-01  2.4834200000e-01  2.5709790000e+00 -1.2484600000e+00  6.0722900000e-01  2.6341910000e+00  2.0526900000e-01  9.5798000000e-01  2.8698590000e+00
-ENERGY -1.526568951657e+02
-FORCES -4.0329000000e-03  1.9468000000e-03  2.1364500000e-02  1.2416000000e-03 -9.4910000000e-04  3.0370000000e-03  5.6640000000e-04  1.3630000000e-03 -9.8794000000e-03  7.1140000000e-04  2.4243000000e-03 -8.9594000000e-03  5.6855000000e-03 -1.1193000000e-03 -2.6864000000e-03 -4.1720000000e-03 -3.6657000000e-03 -2.8763000000e-03
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9497100000e-01  9.3705800000e-01  1.1838000000e-02  6.7057700000e-01 -9.7079000000e-02 -6.7611700000e-01 -2.0889410000e+00 -1.6068420000e+00 -3.8787000000e-02 -1.3315830000e+00 -1.0214870000e+00 -3.8406000000e-02 -1.7289540000e+00 -2.4651910000e+00  1.8454800000e-01
-ENERGY -1.526594214373e+02
-FORCES -6.9323000000e-03 -3.5178000000e-03 -2.5726000000e-03  1.7501000000e-03 -5.1997000000e-03 -1.1354000000e-03 -3.5165000000e-03  1.2144000000e-03  3.7560000000e-03  1.5930700000e-02  9.9773000000e-03  1.4770000000e-03 -7.6082000000e-03 -5.1278000000e-03 -3.7360000000e-04  3.7630000000e-04  2.6535000000e-03 -1.1515000000e-03
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0640000000e-02 -8.3806700000e-01 -4.6200600000e-01 -6.9190000000e-03 -2.3696800000e-01  9.2737800000e-01 -3.7770200000e-01 -2.7191270000e+00 -3.6382200000e-01  2.7853300000e-01 -3.2942440000e+00  2.9660000000e-02 -4.5732600000e-01 -3.0280180000e+00 -1.2663060000e+00
-ENERGY -1.526585088868e+02
-FORCES -2.9350000000e-03 -1.5398000000e-02  1.6417000000e-03  1.7515000000e-03  7.4890000000e-03 -3.3271000000e-03  1.0103000000e-03  2.0566000000e-03 -1.3546000000e-03  2.1623000000e-03 -5.4410000000e-04  3.5790000000e-04 -3.5861000000e-03  3.0974000000e-03 -2.0442000000e-03  1.5970000000e-03  3.2991000000e-03  4.7262000000e-03
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5429200000e-01  5.8734000000e-01 -4.8025000000e-02  3.6265300000e-01 -8.3197600000e-01  3.0418700000e-01  1.3627590000e+00 -2.2999780000e+00  1.3199900000e+00  1.2471650000e+00 -3.2045750000e+00  1.0291760000e+00  1.1244710000e+00 -2.3135910000e+00  2.2469560000e+00
-ENERGY -1.526618887902e+02
-FORCES  7.2669000000e-03 -5.8357000000e-03  3.4255000000e-03 -2.5256000000e-03 -1.2911000000e-03  1.8800000000e-04 -5.5140000000e-03  7.1905000000e-03 -4.4317000000e-03 -6.4520000000e-04 -4.0164000000e-03  3.7554000000e-03  1.6550000000e-04  4.5320000000e-03  1.8467000000e-03  1.2524000000e-03 -5.7930000000e-04 -4.7840000000e-03
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9890200000e-01 -9.0175900000e-01  2.5199300000e-01 -8.2616700000e-01  1.9599800000e-01  4.4188900000e-01 -2.4497220000e+00  3.2439700000e-01  1.5246060000e+00 -3.1794040000e+00  7.6287100000e-01  1.0869560000e+00 -2.5969870000e+00  4.8563700000e-01  2.4565640000e+00
-ENERGY -1.526615711184e+02
-FORCES -8.1999000000e-03 -1.8188000000e-03  6.6832000000e-03 -2.8300000000e-05  2.5415000000e-03 -6.9170000000e-04  6.9502000000e-03 -2.6040000000e-04 -6.5953000000e-03 -1.6373000000e-03  2.1247000000e-03  2.4526000000e-03  3.7855000000e-03 -1.8696000000e-03  2.6764000000e-03 -8.7030000000e-04 -7.1730000000e-04 -4.5251000000e-03
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9212200000e-01  4.8799400000e-01 -4.4616300000e-01 -1.7692900000e-01  1.3012600000e-01  9.3166300000e-01 -2.0673750000e+00  1.8172760000e+00 -2.4134900000e-01 -2.8572560000e+00  1.4173930000e+00  1.2253700000e-01 -2.2990070000e+00  2.0256750000e+00 -1.1464170000e+00
-ENERGY -1.526578987703e+02
-FORCES -1.1210800000e-02  1.1701700000e-02  2.2338000000e-03  4.4380000000e-03 -6.0486000000e-03 -3.8560000000e-03  1.0531000000e-03 -2.1919000000e-03 -1.3821000000e-03 -1.6813000000e-03 -1.6489000000e-03  2.2020000000e-04  4.8978000000e-03  1.5933000000e-03 -1.9340000000e-03  2.5032000000e-03 -3.4057000000e-03  4.7181000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2760000000e-03 -9.0479300000e-01 -3.1224200000e-01 -7.4290400000e-01  4.0173300000e-01 -4.5048500000e-01  2.6037410000e+00  8.3822200000e-01 -6.2918700000e-01  2.2753300000e+00  1.3026840000e+00 -1.3990270000e+00  1.8182300000e+00  4.9754100000e-01 -2.0123700000e-01
-ENERGY -1.526595635307e+02
-FORCES -5.6180000000e-04  4.0340000000e-04 -4.1180000000e-03  7.8250000000e-04  5.5399000000e-03  1.1312000000e-03  3.4656000000e-03 -2.8726000000e-03  1.4897000000e-03 -1.4036700000e-02 -1.2008000000e-03  1.2438000000e-03  1.4379000000e-03 -9.4910000000e-04  1.3530000000e-03  8.9124000000e-03 -9.2080000000e-04 -1.0996000000e-03
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2396400000e-01  4.8447000000e-01 -3.9673300000e-01 -1.2360200000e-01  1.1290900000e-01  9.4244700000e-01 -2.0299300000e-01 -2.6776780000e+00 -3.0207000000e-01 -2.5667400000e-01 -1.7453990000e+00 -9.1814000000e-02 -1.6754500000e-01 -2.7064080000e+00 -1.2581810000e+00
-ENERGY -1.526586111924e+02
-FORCES -2.0839000000e-03 -1.9674000000e-03  5.3300000000e-04  3.7678000000e-03 -3.7678000000e-03  2.2716000000e-03 -6.1290000000e-04 -3.0908000000e-03 -6.2570000000e-03  2.7511000000e-03  1.7573000000e-02 -1.8184000000e-03 -3.0532000000e-03 -8.8821000000e-03  3.0402000000e-03 -7.6880000000e-04  1.3500000000e-04  2.2306000000e-03
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0850000000e-02 -9.0621800000e-01 -2.9996700000e-01 -2.6603800000e-01 -7.0768000000e-02  9.1675900000e-01  2.6660730000e+00  7.1928800000e-01 -5.3405600000e-01  1.7862780000e+00  5.0156800000e-01 -2.2617700000e-01  2.5358550000e+00  1.0371890000e+00 -1.4274840000e+00
-ENERGY -1.526611245272e+02
-FORCES -4.8680000000e-04 -3.1524000000e-03  1.6807000000e-03  9.4140000000e-04  5.6274000000e-03  1.9631000000e-03  2.1950000000e-03 -2.7090000000e-04 -4.9869000000e-03 -1.3499400000e-02 -4.6370000000e-04  4.0960000000e-04  1.0369400000e-02 -2.1260000000e-04 -1.3127000000e-03  4.8040000000e-04 -1.5278000000e-03  2.2461000000e-03
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7774700000e-01 -5.2650700000e-01  1.8474900000e-01 -1.3756000000e-01 -9.7525000000e-02 -9.4223000000e-01 -2.4465710000e+00  1.0337800000e-01  1.3698350000e+00 -2.7499430000e+00  1.0006750000e+00  1.5078740000e+00 -1.5751060000e+00  2.0103900000e-01  9.8611200000e-01
-ENERGY -1.526617054407e+02
-FORCES -5.8680000000e-04 -3.4280000000e-03 -8.3810000000e-04 -3.2002000000e-03  2.4280000000e-03 -2.4883000000e-03  1.6879000000e-03  3.5170000000e-04  4.5790000000e-03  9.7606000000e-03  1.5398000000e-03 -4.2578000000e-03  1.8021000000e-03 -2.5149000000e-03 -1.2399000000e-03 -9.4636000000e-03  1.6233000000e-03  4.2452000000e-03
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6669900000e-01  5.3950900000e-01 -4.2505900000e-01 -1.0409300000e-01  1.8148700000e-01  9.3405500000e-01 -2.3393280000e+00  1.9364980000e+00 -2.6723800000e-01 -2.9878360000e+00  1.2439490000e+00 -1.4056600000e-01 -2.2336160000e+00  1.9955320000e+00 -1.2167490000e+00
-ENERGY -1.526579272963e+02
-FORCES -6.5373000000e-03  8.0622000000e-03  3.4559000000e-03  3.8077000000e-03 -5.6386000000e-03 -3.5126000000e-03  1.2185000000e-03 -2.3833000000e-03 -2.3784000000e-03 -5.2327000000e-03 -1.0310000000e-04 -2.5573000000e-03  4.8794000000e-03  2.8838000000e-03 -7.2050000000e-04  1.8643000000e-03 -2.8209000000e-03  5.7129000000e-03
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2343500000e-01 -3.4407100000e-01  3.4612300000e-01 -4.0827000000e-02 -3.3219400000e-01 -8.9677900000e-01 -2.1951750000e+00  1.5047900000e-01  1.4653920000e+00 -2.5568790000e+00  1.0339350000e+00  1.5354470000e+00 -1.4213460000e+00  2.5123500000e-01  9.1107400000e-01
-ENERGY -1.526600820974e+02
-FORCES -5.9543000000e-03 -2.6438000000e-03  4.7828000000e-03 -3.3821000000e-03  1.2394000000e-03 -3.6419000000e-03  1.6186000000e-03  1.3860000000e-03  4.5834000000e-03  1.3192100000e-02  1.9050000000e-04 -8.5766000000e-03  2.6059000000e-03 -2.1915000000e-03 -1.5513000000e-03 -8.0801000000e-03  2.0194000000e-03  4.4036000000e-03
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4451100000e-01  9.2077900000e-01  2.1798000000e-01  8.7845500000e-01 -2.1753000000e-02 -3.7957200000e-01  2.2089550000e+00 -9.3719000000e-02 -1.4596760000e+00  2.8644730000e+00 -7.5030400000e-01 -1.2242510000e+00  2.1374330000e+00 -1.5676600000e-01 -2.4121150000e+00
-ENERGY -1.526595830307e+02
-FORCES  1.4227800000e-02  1.4405000000e-03 -9.3035000000e-03  1.2626000000e-03 -2.3049000000e-03 -1.5056000000e-03 -5.7424000000e-03 -3.6640000000e-04  7.1886000000e-03 -8.1573000000e-03 -1.6208000000e-03  6.7520000000e-04 -4.2269000000e-03  3.1442000000e-03 -1.5637000000e-03  2.6362000000e-03 -2.9260000000e-04  4.5089000000e-03
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2527400000e-01  6.2285900000e-01  4.7494000000e-02  2.0912000000e-01 -6.6252100000e-01  6.5845800000e-01 -9.9785400000e-01 -2.6087300000e-01 -2.6236220000e+00 -1.1526300000e-01 -2.4999000000e-02 -2.9093290000e+00 -9.0613000000e-01 -4.4584400000e-01 -1.6889550000e+00
-ENERGY -1.526591443231e+02
-FORCES  2.7994000000e-03  1.7630000000e-03 -6.6150000000e-04 -2.6888000000e-03 -3.8097000000e-03  3.1640000000e-04 -7.7250000000e-04  3.2863000000e-03 -3.7891000000e-03  7.0437000000e-03  1.4366000000e-03  1.1042900000e-02 -2.2102000000e-03 -1.5000000000e-06 -4.0460000000e-04 -4.1715000000e-03 -2.6747000000e-03 -6.5040000000e-03
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6579500000e-01 -2.9707300000e-01 -2.7996100000e-01 -5.9271600000e-01 -7.0262100000e-01 -2.6691400000e-01 -1.1312420000e+00 -2.2797940000e+00 -1.3480540000e+00 -1.9660390000e+00 -2.6196070000e+00 -1.0257600000e+00 -1.3481730000e+00 -1.8607340000e+00 -2.1808570000e+00
-ENERGY -1.526606152092e+02
-FORCES -1.3109000000e-03 -1.1550300000e-02 -5.2416000000e-03 -1.8518000000e-03  2.1368000000e-03  6.9170000000e-04  7.0730000000e-04  8.4648000000e-03  3.9600000000e-03 -2.8996000000e-03 -5.9160000000e-04 -3.3490000000e-03  4.3246000000e-03  3.2476000000e-03 -1.3362000000e-03  1.0304000000e-03 -1.7073000000e-03  5.2751000000e-03
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1311000000e-01 -6.3840100000e-01  1.2217000000e-02 -7.7863100000e-01 -5.1401500000e-01 -2.1390200000e-01 -1.6265020000e+00 -2.0910050000e+00 -1.7749420000e+00 -2.5035720000e+00 -2.3925910000e+00 -1.5382430000e+00 -1.6479100000e+00 -2.0157960000e+00 -2.7289420000e+00
-ENERGY -1.526593368357e+02
-FORCES -1.9133000000e-03 -7.4464000000e-03 -3.8862000000e-03 -1.3596000000e-03  2.9105000000e-03  6.4460000000e-04  2.7890000000e-03  5.0167000000e-03  5.2288000000e-03 -3.0963000000e-03 -1.2971000000e-03 -5.5443000000e-03  4.1759000000e-03  2.1214000000e-03 -6.3100000000e-04 -5.9570000000e-04 -1.3051000000e-03  4.1881000000e-03
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1880800000e-01 -1.2160400000e-01  4.8062200000e-01  6.1774600000e-01 -5.9590900000e-01  4.2369100000e-01  2.2304030000e+00 -1.5751190000e+00  4.0134900000e-01  2.9726150000e+00 -1.1359110000e+00 -1.3921000000e-02  2.4166190000e+00 -1.5262870000e+00  1.3389900000e+00
-ENERGY -1.526589256201e+02
-FORCES  7.9428000000e-03 -7.9826000000e-03  1.3597000000e-03  4.2217000000e-03 -1.0350000000e-03 -3.7070000000e-04 -8.5138000000e-03  6.3107000000e-03  3.2337000000e-03  3.2471000000e-03  4.1388000000e-03 -2.3585000000e-03 -2.8454000000e-03 -2.9757000000e-03  3.2438000000e-03 -4.0524000000e-03  1.5439000000e-03 -5.1080000000e-03
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7732300000e-01  3.6722100000e-01  1.0810000000e-01  5.7092500000e-01  5.9555500000e-01  4.8537600000e-01  3.2026030000e+00 -2.3753600000e-01 -7.9164800000e-01  3.2357140000e+00 -1.1915000000e+00 -8.6298500000e-01  3.0554940000e+00 -7.1471000000e-02  1.3948700000e-01
-ENERGY -1.526528570541e+02
-FORCES -8.2910000000e-04  4.9372000000e-03  1.1052000000e-03  3.8745000000e-03 -1.6536000000e-03 -7.4660000000e-04 -1.6190000000e-03 -3.2831000000e-03 -1.9910000000e-04 -2.5144000000e-03 -4.9101000000e-03  2.7351000000e-03  1.2741000000e-03  3.8858000000e-03  2.3110000000e-04 -1.8610000000e-04  1.0237000000e-03 -3.1257000000e-03
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3957000000e-01 -5.9478500000e-01  3.9168000000e-01 -3.2632000000e-02 -2.5589000000e-01 -9.2178500000e-01  6.1114000000e-02  2.0044680000e+00 -2.5789700000e+00  2.1281200000e-01  1.0595430000e+00 -2.5973510000e+00 -8.6404600000e-01  2.0946040000e+00 -2.3505270000e+00
-ENERGY -1.526506190274e+02
-FORCES  3.4992000000e-03 -2.8159000000e-03 -1.5115000000e-03 -2.8475000000e-03  2.7744000000e-03 -1.9133000000e-03 -2.4000000000e-04  2.3459000000e-03  8.2430000000e-04 -3.1951000000e-03 -2.5614000000e-03  3.4028000000e-03 -1.1606000000e-03  9.8600000000e-04  1.3381000000e-03  3.9440000000e-03 -7.2900000000e-04 -2.1404000000e-03
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6156700000e-01  4.7096900000e-01 -5.0670400000e-01 -9.0976000000e-02  3.4151500000e-01  8.8956300000e-01 -5.1731800000e-01  7.6037100000e-01  2.5763350000e+00 -1.4204610000e+00  1.0712410000e+00  2.6389830000e+00  1.2385000000e-02  1.5006820000e+00  2.8722850000e+00
-ENERGY -1.526595405001e+02
-FORCES -4.2742000000e-03  4.9059000000e-03  1.3701400000e-02  1.2681000000e-03 -9.1500000000e-04  2.5296000000e-03  2.7591000000e-03 -9.0350000000e-04 -1.0263700000e-02 -1.6863000000e-03  1.4342000000e-03 -1.7517000000e-03  5.3335000000e-03 -6.8280000000e-04 -1.1594000000e-03 -3.4002000000e-03 -3.8388000000e-03 -3.0562000000e-03
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3865500000e-01 -5.6193800000e-01  2.3419300000e-01 -3.0541100000e-01 -3.4271700000e-01 -8.3994100000e-01  2.0252020000e+00 -2.1576010000e+00  2.6840200000e-01  2.8121080000e+00 -1.7356460000e+00 -7.6511000000e-02  2.2769140000e+00 -2.4574280000e+00  1.1418870000e+00
-ENERGY -1.526608762330e+02
-FORCES  4.9997000000e-03 -9.5582000000e-03 -1.4034000000e-03 -4.2044000000e-03  8.7883000000e-03 -4.5430000000e-04  6.3280000000e-04  1.9530000000e-03  2.0794000000e-03  4.6518000000e-03 -2.3581000000e-03  2.1348000000e-03 -5.2410000000e-03 -9.8570000000e-04  2.2193000000e-03 -8.3890000000e-04  2.1606000000e-03 -4.5757000000e-03
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8838400000e-01  8.7235700000e-01 -3.4602900000e-01  7.6130500000e-01 -2.9670400000e-01 -4.9861100000e-01 -3.3769200000e-01  2.5135170000e+00 -4.0996200000e-01 -1.2244590000e+00  2.6773250000e+00 -8.8960000000e-02  2.1650500000e-01  3.0981580000e+00  1.0704200000e-01
-ENERGY -1.526570002669e+02
-FORCES -9.5720000000e-04  2.1196000000e-02 -5.0127000000e-03 -2.9159000000e-03 -8.3169000000e-03  4.6140000000e-04 -1.5602000000e-03  2.7851000000e-03  1.2374000000e-03  3.8946000000e-03 -1.2238900000e-02  7.2836000000e-03  5.5947000000e-03 -2.1129000000e-03 -1.1951000000e-03 -4.0559000000e-03 -1.3124000000e-03 -2.7747000000e-03
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9367200000e-01  1.9214000000e-01  4.9939900000e-01  8.1400000000e-03 -9.5381000000e-01 -8.0077000000e-02  4.7835000000e-02  7.0249400000e-01 -2.8919810000e+00  2.2418900000e-01 -1.8997700000e-01 -3.1896820000e+00  1.6842000000e-02  6.3542200000e-01 -1.9376370000e+00
-ENERGY -1.526604088055e+02
-FORCES -3.2890000000e-03 -3.4265000000e-03  3.3950000000e-03  3.9893000000e-03 -1.4988000000e-03 -2.6829000000e-03 -3.7720000000e-04  5.0443000000e-03 -8.7770000000e-04  9.3450000000e-04 -4.0068000000e-03  9.1200000000e-03 -7.1460000000e-04  2.2626000000e-03  1.1738000000e-03 -5.4310000000e-04  1.6253000000e-03 -1.0128200000e-02
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3207400000e-01 -3.2421700000e-01  3.4462600000e-01 -1.2755000000e-02 -2.9280000000e-01 -9.1122900000e-01  2.1942300000e-01 -4.6635700000e-01 -2.5600750000e+00  1.1024340000e+00 -8.3388500000e-01 -2.5220540000e+00 -3.0124200000e-01 -1.1378550000e+00 -3.0007910000e+00
-ENERGY -1.526560554559e+02
-FORCES  1.5237000000e-03 -3.6075000000e-03 -1.9858400000e-02 -1.6361000000e-03  3.0470000000e-04 -3.4755000000e-03  2.1400000000e-03 -1.1097000000e-03  9.6230000000e-03  5.4190000000e-04 -4.4020000000e-04  7.0118000000e-03 -6.1840000000e-03  1.4151000000e-03  3.0934000000e-03  3.6145000000e-03  3.4376000000e-03  3.6057000000e-03
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4972000000e-02  8.1988800000e-01  4.9375300000e-01  2.5585300000e-01  2.4985200000e-01 -8.8788800000e-01  2.9851600000e-01  2.6752420000e+00  6.5517200000e-01 -5.2841500000e-01  3.0254730000e+00  3.2387900000e-01  3.3692300000e-01  2.9705390000e+00  1.5648740000e+00
-ENERGY -1.526595059291e+02
-FORCES  4.4397000000e-03  1.4783100000e-02  1.0992000000e-03 -3.8398000000e-03 -8.2135000000e-03  8.4200000000e-05 -1.6999000000e-03 -1.4616000000e-03  1.4958000000e-03 -2.1687000000e-03  8.5090000000e-04  1.9980000000e-04  4.4943000000e-03 -3.2733000000e-03  2.0158000000e-03 -1.2257000000e-03 -2.6857000000e-03 -4.8947000000e-03
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2988900000e-01  5.4238700000e-01 -4.7464600000e-01  3.4725300000e-01 -4.7314000000e-02  8.9073500000e-01  3.3625300000e-01  1.0156700000e-01  2.8296000000e+00  1.0821840000e+00  6.6453900000e-01  3.0366790000e+00  5.4981700000e-01 -7.3867900000e-01  3.2353190000e+00
-ENERGY -1.526594500015e+02
-FORCES  2.1804000000e-03  1.6966000000e-03  1.0130600000e-02 -1.4603000000e-03 -1.4053000000e-03  2.9767000000e-03  1.7214000000e-03 -9.0920000000e-04 -1.0981100000e-02  1.4288000000e-03 -5.0060000000e-04  3.9686000000e-03 -3.4242000000e-03 -3.6080000000e-03 -3.0380000000e-03 -4.4610000000e-04  4.7265000000e-03 -3.0568000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7560500000e-01 -3.5404200000e-01  1.5557200000e-01  5.7259500000e-01 -7.6705100000e-01  5.3200000000e-04  3.0575680000e+00  1.0173470000e+00 -1.8999090000e+00  3.0394580000e+00  7.9313200000e-01 -9.6951600000e-01  3.9127540000e+00  1.4267000000e+00 -2.0315150000e+00
-ENERGY -1.526538061292e+02
-FORCES -2.2722000000e-03 -4.7958000000e-03 -4.0380000000e-04  3.5949000000e-03  1.4331000000e-03 -5.4550000000e-04 -1.4711000000e-03  3.7521000000e-03  8.0320000000e-04  2.5895000000e-03  1.6866000000e-03  3.7973000000e-03  1.1460000000e-03 -4.0460000000e-04 -4.0678000000e-03 -3.5871000000e-03 -1.6714000000e-03  4.1650000000e-04
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1133700000e-01 -9.5042700000e-01 -2.2895000000e-02 -9.0430500000e-01  1.2887200000e-01  2.8610700000e-01  3.9998700000e-01 -2.8386510000e+00  4.5289200000e-01  1.2041710000e+00 -3.3462300000e+00  3.4387900000e-01 -2.8481800000e-01 -3.3896440000e+00  7.3840000000e-02
-ENERGY -1.526607256451e+02
-FORCES -4.4580000000e-04 -9.7930000000e-03  3.2105000000e-03 -2.8748000000e-03  9.3590000000e-03 -3.0674000000e-03  2.4358000000e-03 -9.0560000000e-04 -1.2288000000e-03  2.1803000000e-03 -3.6600000000e-03 -8.6770000000e-04 -4.6676000000e-03  1.3916000000e-03  3.5500000000e-04  3.3722000000e-03  3.6080000000e-03  1.5984000000e-03
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2677300000e-01 -9.2827800000e-01  5.5733000000e-02 -7.6357800000e-01  9.5109000000e-02  5.6932800000e-01 -2.3660360000e+00  2.3613200000e-01  1.5237640000e+00 -3.1875470000e+00  6.5519000000e-01  1.2673620000e+00 -2.2192660000e+00  5.2648500000e-01  2.4239790000e+00
-ENERGY -1.526616377776e+02
-FORCES -9.9494000000e-03 -1.6319000000e-03  5.7372000000e-03 -8.6800000000e-04  2.6908000000e-03  3.3230000000e-04  9.6441000000e-03 -7.6240000000e-04 -3.4663000000e-03 -1.5041000000e-03  2.8457000000e-03 -6.5740000000e-04  3.4284000000e-03 -1.8457000000e-03  3.0178000000e-03 -7.5100000000e-04 -1.2965000000e-03 -4.9636000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0745500000e-01  2.9892200000e-01  5.8338000000e-02  4.9977100000e-01  6.5311300000e-01  4.8980000000e-01 -1.6841630000e+00  1.1493690000e+00  2.9942090000e+00 -2.5432190000e+00  8.9967600000e-01  3.3346600000e+00 -1.8532550000e+00  1.4211110000e+00  2.0921020000e+00
-ENERGY -1.526526254689e+02
-FORCES -8.9400000000e-04  2.9563000000e-03  3.7760000000e-03  2.7609000000e-03  1.7740000000e-04  6.4800000000e-05 -2.4926000000e-03 -2.2284000000e-03 -3.2287000000e-03 -4.9717000000e-03 -4.1100000000e-04 -1.0480000000e-03  3.7470000000e-03  1.2321000000e-03 -1.6456000000e-03  1.8505000000e-03 -1.7263000000e-03  2.0816000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1554600000e-01 -4.8929900000e-01  1.0818200000e-01 -6.1947600000e-01 -6.4038700000e-01 -3.4983700000e-01 -6.5566600000e-01  2.8065130000e+00 -7.9453000000e-02 -1.4978340000e+00  2.8299820000e+00  3.7489700000e-01 -5.3905000000e-01  1.8877760000e+00 -3.2143400000e-01
-ENERGY -1.526598212435e+02
-FORCES  3.1940000000e-03 -2.4267000000e-03  4.6740000000e-04 -4.6397000000e-03  6.0490000000e-04 -6.3260000000e-04  2.7654000000e-03  3.9373000000e-03  1.6705000000e-03  5.5840000000e-04 -9.9243000000e-03  2.1559000000e-03  2.2469000000e-03 -2.9680000000e-04 -1.7169000000e-03 -4.1250000000e-03  8.1055000000e-03 -1.9443000000e-03
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4899900000e-01  4.3972400000e-01  4.5555000000e-02  5.9962400000e-01  5.8769500000e-01  4.5967100000e-01  1.4058750000e+00  1.9121150000e+00  1.6568140000e+00  2.1871110000e+00  2.3779400000e+00  1.3586380000e+00  1.5733570000e+00  1.7299750000e+00  2.5814800000e+00
-ENERGY -1.526617735620e+02
-FORCES  2.6574000000e-03  8.8107000000e-03  6.3583000000e-03  2.0150000000e-03 -1.7103000000e-03 -3.0810000000e-04 -3.5420000000e-03 -6.4717000000e-03 -6.3218000000e-03  2.6439000000e-03  1.7180000000e-04  2.8002000000e-03 -3.7161000000e-03 -2.6563000000e-03  1.9810000000e-03 -5.8300000000e-05  1.8559000000e-03 -4.5097000000e-03
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6733900000e-01 -9.4245800000e-01  1.5350000000e-03 -9.1618400000e-01  8.1499000000e-02  2.6494800000e-01  2.6003600000e-01 -1.6567090000e+00 -2.8838460000e+00  8.9243000000e-01 -2.2232000000e+00 -2.4418070000e+00  1.2135100000e-01 -2.0707090000e+00 -3.7356690000e+00
-ENERGY -1.526526614228e+02
-FORCES -4.1101000000e-03 -4.1535000000e-03 -1.8411000000e-03  7.5490000000e-04  3.0299000000e-03  1.4163000000e-03  3.6450000000e-03  4.4700000000e-05 -3.1150000000e-04  2.8343000000e-03 -3.3337000000e-03 -2.6178000000e-03 -3.5215000000e-03  2.2837000000e-03 -4.4320000000e-04  3.9730000000e-04  2.1290000000e-03  3.7973000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3549700000e-01 -9.4754900000e-01  4.8150000000e-03 -8.2800600000e-01  3.6243500000e-01  3.1508400000e-01  2.2452520000e+00  1.5809160000e+00  3.3339200000e-01  1.4859820000e+00  1.0154410000e+00  1.9204300000e-01  1.9927880000e+00  2.4215780000e+00 -4.8421000000e-02
-ENERGY -1.526608140155e+02
-FORCES  1.4568000000e-03 -1.1830000000e-04  2.2273000000e-03 -1.2424000000e-03  4.7717000000e-03  3.1980000000e-04  3.7919000000e-03 -2.3669000000e-03 -1.9419000000e-03 -1.0628600000e-02 -6.1634000000e-03 -3.1137000000e-03  6.9920000000e-03  6.4083000000e-03  1.1152000000e-03 -3.6970000000e-04 -2.5313000000e-03  1.3933000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4973400000e-01  5.7467400000e-01 -1.5453300000e-01 -3.5085000000e-02 -9.8091000000e-02  9.5151400000e-01  6.9637800000e-01  2.7939000000e-02  2.7885530000e+00  1.4113870000e+00  6.6099100000e-01  2.8536560000e+00  9.7275900000e-01 -7.0382900000e-01  3.3402430000e+00
-ENERGY -1.526597905840e+02
-FORCES  4.5948000000e-03  1.2312000000e-03  1.0979400000e-02 -1.7768000000e-03 -1.1186000000e-03  2.3300000000e-05 -2.9746000000e-03 -3.7100000000e-05 -8.4055000000e-03  3.8803000000e-03 -7.7470000000e-04  4.7080000000e-04 -3.0730000000e-03 -3.4120000000e-03 -7.6100000000e-04 -6.5070000000e-04  4.1111000000e-03 -2.3070000000e-03
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9012400000e-01  3.0823200000e-01  1.7001000000e-01  5.6216500000e-01  7.1890300000e-01  2.8875700000e-01  4.1502400000e-01 -6.4608000000e-01 -2.6688110000e+00 -1.8301000000e-01  8.7630000000e-03 -3.0290440000e+00  5.6461200000e-01 -3.6388100000e-01 -1.7664700000e+00
-ENERGY -1.526583022234e+02
-FORCES -4.1337000000e-03  1.2464000000e-03 -1.1980000000e-03  4.9556000000e-03 -3.4850000000e-04 -3.3450000000e-04 -2.8529000000e-03 -3.8339000000e-03 -4.1505000000e-03 -4.1944000000e-03  4.7013000000e-03  1.2754600000e-02  1.3284000000e-03 -1.7467000000e-03  9.7320000000e-04  4.8970000000e-03 -1.8600000000e-05 -8.0447000000e-03
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9910900000e-01 -2.6574800000e-01 -4.5501000000e-01 -9.2119000000e-02  9.3134100000e-01 -2.0087400000e-01 -6.3119200000e-01  2.5591850000e+00 -6.0082600000e-01 -1.5743350000e+00  2.7042220000e+00 -5.2547700000e-01 -2.3662900000e-01  3.3156360000e+00 -1.6685000000e-01
-ENERGY -1.526609815677e+02
-FORCES -1.8725000000e-03  1.3799400000e-02 -4.7074000000e-03 -2.0156000000e-03  2.2911000000e-03  1.1303000000e-03  2.9000000000e-03 -9.6217000000e-03  2.4928000000e-03 -1.7836000000e-03 -3.3684000000e-03  3.1501000000e-03  5.3316000000e-03  7.2990000000e-04  1.0570000000e-04 -2.5600000000e-03 -3.8303000000e-03 -2.1715000000e-03
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1117100000e-01 -8.9123200000e-01  1.5845900000e-01 -9.2454400000e-01 -2.1137000000e-02  2.4698900000e-01  3.0651100000e-01 -2.6253720000e+00  7.5726800000e-01  1.1411790000e+00 -2.9098650000e+00  3.8494400000e-01 -3.4664300000e-01 -3.1857150000e+00  3.3817700000e-01
-ENERGY -1.526585690630e+02
-FORCES -1.7070000000e-03 -1.5154200000e-02  6.7273000000e-03  3.3332000000e-03  7.2385000000e-03 -4.9289000000e-03  1.6997000000e-03  6.2430000000e-04 -1.4456000000e-03 -1.5792000000e-03 -6.0800000000e-05 -3.2469000000e-03 -5.3277000000e-03  4.1180000000e-03  7.4470000000e-04  3.5810000000e-03  3.2343000000e-03  2.1494000000e-03
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1591900000e-01 -2.7805500000e-01 -3.1860000000e-03 -4.6388700000e-01 -6.9657900000e-01 -4.6456200000e-01 -1.7364290000e+00 -2.1809770000e+00 -1.4462740000e+00 -2.4467590000e+00 -2.7884180000e+00 -1.2396860000e+00 -1.9781460000e+00 -1.8085460000e+00 -2.2942710000e+00
-ENERGY -1.526610342755e+02
-FORCES -9.6350000000e-04 -6.6365000000e-03 -2.4894000000e-03 -3.0199000000e-03  9.4850000000e-04 -1.1050000000e-04  5.6413000000e-03  7.5665000000e-03  2.5501000000e-03 -5.6618000000e-03 -2.5262000000e-03 -1.8728000000e-03  2.7270000000e-03  2.3874000000e-03 -2.3535000000e-03  1.2769000000e-03 -1.7397000000e-03  4.2760000000e-03
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0868500000e-01 -8.8125200000e-01 -3.5751000000e-01 -2.8906100000e-01 -1.4074200000e-01  9.0159100000e-01 -1.3283800000e-01 -7.7937300000e-01  2.7547360000e+00 -1.1895700000e-01 -1.7277380000e+00  2.6257310000e+00 -9.5391100000e-01 -6.1210800000e-01  3.2174380000e+00
-ENERGY -1.526587546896e+02
-FORCES  2.3200000000e-04 -4.8312000000e-03  1.0857700000e-02 -4.1920000000e-04  2.1389000000e-03  1.6250000000e-03 -2.1936000000e-03  1.7405000000e-03 -9.7662000000e-03 -8.2850000000e-04 -3.6960000000e-03  2.4477000000e-03 -8.8180000000e-04  5.4564000000e-03 -1.0335000000e-03  4.0911000000e-03 -8.0870000000e-04 -4.1307000000e-03
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2930500000e-01  2.3345900000e-01 -8.9952700000e-01 -8.0887300000e-01 -3.5393500000e-01  3.6971200000e-01 -2.4983960000e+00 -8.0990300000e-01  4.7878100000e-01 -2.5203940000e+00 -1.6919230000e+00  1.0758400000e-01 -2.8485670000e+00 -9.1311500000e-01  1.3636310000e+00
-ENERGY -1.526588141592e+02
-FORCES -1.8527100000e-02 -3.0360000000e-03  1.3434000000e-03  1.1524000000e-03 -1.2955000000e-03  1.6531000000e-03  8.8723000000e-03 -4.3260000000e-04 -1.8400000000e-04  4.0730000000e-03 -4.5930000000e-04 -2.9600000000e-04  1.3894000000e-03  5.4494000000e-03  2.4725000000e-03  3.0400000000e-03 -2.2600000000e-04 -4.9889000000e-03
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7269300000e-01  9.4072000000e-01 -3.8147000000e-02  7.9057500000e-01 -1.2039300000e-01 -5.2605000000e-01 -2.2652000000e+00 -1.4595770000e+00  1.1523500000e-01 -1.4195730000e+00 -1.0112140000e+00  1.0438500000e-01 -2.0736510000e+00 -2.3244080000e+00  4.7801200000e-01
-ENERGY -1.526606614881e+02
-FORCES -4.4868000000e-03 -1.4298000000e-03 -2.4137000000e-03  2.1020000000e-03 -4.8446000000e-03 -5.7440000000e-04 -3.4234000000e-03  1.9632000000e-03  2.8311000000e-03  1.3361000000e-02  6.0972000000e-03  2.5990000000e-04 -8.4120000000e-03 -4.4099000000e-03  1.2726000000e-03  8.5920000000e-04  2.6240000000e-03 -1.3755000000e-03
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9955500000e-01  3.7817400000e-01 -3.6596100000e-01  3.2588000000e-02  3.3029000000e-01  8.9781900000e-01 -3.7366800000e-01 -2.5801530000e+00 -4.0360100000e-01 -3.3246400000e-01 -1.6596990000e+00 -1.4418200000e-01 -1.2241400000e-01 -2.5806520000e+00 -1.3272370000e+00
-ENERGY -1.526582132008e+02
-FORCES -2.0456000000e-03 -5.5144000000e-03  5.1840000000e-04  4.3516000000e-03 -4.4677000000e-03  2.4301000000e-03 -1.4180000000e-03 -2.2590000000e-03 -5.3020000000e-03  5.6494000000e-03  1.9390600000e-02  1.4000000000e-03 -5.1213000000e-03 -7.7527000000e-03 -1.0827000000e-03 -1.4162000000e-03  6.0320000000e-04  2.0362000000e-03
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.6336000000e-02  9.0778200000e-01  2.8789400000e-01  2.0830500000e-01  2.1058000000e-02 -9.3402200000e-01  2.3364500000e-01  7.8217100000e-01 -2.5947330000e+00 -5.3990000000e-03  1.7063560000e+00 -2.5242300000e+00  1.0016780000e+00  7.7584300000e-01 -3.1659750000e+00
-ENERGY -1.526585590780e+02
-FORCES  2.3404000000e-03  6.1284000000e-03 -1.4361400000e-02 -7.6010000000e-04 -1.6915000000e-03 -8.6030000000e-04 -1.8390000000e-04 -3.1619000000e-03  7.9911000000e-03  7.3900000000e-05  2.4917000000e-03  3.6512000000e-03  2.4704000000e-03 -4.5032000000e-03  1.7600000000e-05 -3.9408000000e-03  7.3640000000e-04  3.5618000000e-03
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2051500000e-01 -9.1235800000e-01  1.8764000000e-01 -7.8335300000e-01  1.7003900000e-01  5.2314000000e-01 -2.4300580000e+00  6.4727000000e-02  1.6740340000e+00 -3.2103440000e+00  5.5989700000e-01  1.4246490000e+00 -2.3354470000e+00  2.2295500000e-01  2.6133130000e+00
-ENERGY -1.526617360603e+02
-FORCES -8.0139000000e-03 -2.8958000000e-03  5.9864000000e-03  6.2000000000e-05  2.6768000000e-03 -5.1550000000e-04  8.1623000000e-03  8.5580000000e-04 -5.5182000000e-03 -3.1598000000e-03  2.2116000000e-03  2.7410000000e-03  3.8953000000e-03 -2.1718000000e-03  2.0228000000e-03 -9.4590000000e-04 -6.7660000000e-04 -4.7164000000e-03
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5535100000e-01  1.4450100000e-01  4.0463100000e-01  2.7473000000e-02 -9.4092100000e-01 -1.7362100000e-01  4.6925500000e-01 -2.7657480000e+00  1.7956000000e-01  1.3897640000e+00 -2.9744820000e+00  2.0422000000e-02 -1.4049000000e-02 -3.3551180000e+00 -3.9948400000e-01
-ENERGY -1.526602884009e+02
-FORCES -3.1010000000e-04 -1.2043100000e-02  2.7788000000e-03  2.2399000000e-03 -9.7920000000e-04 -1.5489000000e-03 -2.5214000000e-03  9.5177000000e-03 -3.1705000000e-03  3.6692000000e-03 -1.3920000000e-03 -6.6370000000e-04 -5.3291000000e-03  3.3300000000e-04  7.5400000000e-05  2.2515000000e-03  4.5635000000e-03  2.5288000000e-03
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0096200000e-01 -8.6317500000e-01 -3.6162700000e-01 -1.6878800000e-01 -8.7600000000e-02  9.3812000000e-01 -5.4367700000e-01 -2.6557880000e+00 -5.4963600000e-01  2.1870200000e-01 -3.2154110000e+00 -4.0187400000e-01 -6.6251500000e-01 -2.6579820000e+00 -1.4994280000e+00
-ENERGY -1.526597307220e+02
-FORCES -4.3574000000e-03 -1.5159000000e-02  9.6590000000e-04  1.8521000000e-03  9.0648000000e-03 -3.0004000000e-03  1.1603000000e-03  8.1520000000e-04 -2.0540000000e-03  3.5461000000e-03 -2.3050000000e-04 -6.5080000000e-04 -4.2580000000e-03  2.9370000000e-03 -1.2108000000e-03  2.0569000000e-03  2.5724000000e-03  5.9501000000e-03
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4001600000e-01  7.5774900000e-01  5.3332900000e-01  3.5370500000e-01  1.9552200000e-01 -8.6769600000e-01  5.3746700000e-01  2.7954660000e+00  4.7299800000e-01 -2.9538000000e-01  3.1794200000e+00  1.9881500000e-01  6.7178100000e-01  3.1234710000e+00  1.3621570000e+00
-ENERGY -1.526599370586e+02
-FORCES  4.9258000000e-03  1.1638000000e-02 -6.7320000000e-04 -2.3966000000e-03 -7.9886000000e-03  1.4835000000e-03 -1.9729000000e-03 -1.9235000000e-03  1.4921000000e-03 -3.6188000000e-03  3.1665000000e-03  1.7300000000e-04  4.5206000000e-03 -1.7388000000e-03  1.7365000000e-03 -1.4580000000e-03 -3.1536000000e-03 -4.2121000000e-03
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2242000000e-01 -3.8085400000e-01  3.0790900000e-01 -2.4460000000e-02 -2.0526600000e-01 -9.3461200000e-01  4.0515600000e-01 -5.2759700000e-01 -2.6531570000e+00  1.2991810000e+00 -8.6438000000e-01 -2.7125470000e+00 -9.7590000000e-02 -1.0734870000e+00 -3.2577090000e+00
-ENERGY -1.526593553900e+02
-FORCES  3.4258000000e-03 -3.8172000000e-03 -1.4019700000e-02 -1.6505000000e-03  9.0150000000e-04 -1.5448000000e-03 -1.1784000000e-03  1.3841000000e-03  9.1733000000e-03  9.0690000000e-04 -1.8519000000e-03  2.5073000000e-03 -5.0303000000e-03  9.5090000000e-04  8.6040000000e-04  3.5264000000e-03  2.4325000000e-03  3.0235000000e-03
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0334000000e-01  2.1000100000e-01 -2.3687100000e-01  4.4768000000e-02 -2.4352800000e-01  9.2462000000e-01  2.7463860000e+00  6.3361500000e-01 -3.8238000000e-01  2.7051770000e+00  1.5400040000e+00 -7.7433000000e-02  2.8420870000e+00  7.0407600000e-01 -1.3321740000e+00
-ENERGY -1.526606643519e+02
-FORCES  1.3265100000e-02  2.2800000000e-04  1.3826000000e-03 -1.0477400000e-02  5.9500000000e-04 -9.0170000000e-04 -3.9670000000e-04  1.3249000000e-03 -2.3984000000e-03  1.5261000000e-03  3.6645000000e-03 -1.9157000000e-03 -1.4275000000e-03 -5.6263000000e-03 -1.8108000000e-03 -2.4895000000e-03 -1.8610000000e-04  5.6440000000e-03
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4734600000e-01 -3.4023700000e-01  4.9187800000e-01 -2.9446300000e-01  5.2770000000e-03 -9.1076600000e-01 -2.7247530000e+00 -6.7945600000e-01  8.1253100000e-01 -2.8791930000e+00 -1.5727450000e+00  5.0526000000e-01 -2.9113930000e+00 -7.1276300000e-01  1.7507680000e+00
-ENERGY -1.526600393564e+02
-FORCES -1.1867400000e-02 -1.2698000000e-03  2.2430000000e-04  9.3858000000e-03 -4.4100000000e-05 -7.8360000000e-04  1.8618000000e-03 -5.3350000000e-04  2.0067000000e-03 -3.4378000000e-03 -2.6568000000e-03  2.0775000000e-03  2.0780000000e-03  4.9000000000e-03  1.5002000000e-03  1.9796000000e-03 -3.9580000000e-04 -5.0251000000e-03
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6050000000e-01  5.8081000000e-01 -2.3039000000e-02  2.3678400000e-01 -6.8055500000e-01  6.3008700000e-01  1.4647100000e+00 -2.1314520000e+00  1.3323490000e+00  1.3021380000e+00 -2.4227710000e+00  2.2295310000e+00  1.1712990000e+00 -2.8608240000e+00  7.8631100000e-01
-ENERGY -1.526608130005e+02
-FORCES  8.6360000000e-03 -5.2913000000e-03  5.7892000000e-03 -2.7415000000e-03 -8.0290000000e-04 -4.3210000000e-04 -6.7964000000e-03  4.9115000000e-03 -4.1406000000e-03  3.7210000000e-04 -4.9923000000e-03  1.0830000000e-04 -3.0200000000e-05  1.8273000000e-03 -4.9578000000e-03  5.5990000000e-04  4.3476000000e-03  3.6330000000e-03
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6129000000e-02 -9.1085700000e-01 -2.9306800000e-01 -8.3166000000e-02 -5.6464000000e-02  9.5190700000e-01 -3.2888940000e+00  2.8051300000e-01  2.7271700000e-01 -4.2159150000e+00  5.1875600000e-01  2.8297000000e-01 -2.8663570000e+00  9.3657100000e-01  8.2704800000e-01
-ENERGY -1.526538454001e+02
-FORCES -2.1850000000e-03 -5.4941000000e-03  1.5020000000e-03  1.4180000000e-03  3.5339000000e-03  1.2879000000e-03  8.6200000000e-05  1.4789000000e-03 -3.3873000000e-03 -7.5650000000e-04  4.7394000000e-03  1.4386000000e-03  4.1344000000e-03 -1.1297000000e-03 -2.9920000000e-04 -2.6971000000e-03 -3.1284000000e-03 -5.4200000000e-04
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1270100000e-01 -2.8498900000e-01  4.4609000000e-02 -4.4858700000e-01 -7.0392000000e-01 -4.6850700000e-01 -3.3169170000e+00 -2.7038700000e-01  4.9307300000e-01 -3.1167330000e+00  6.2371600000e-01  7.7008900000e-01 -3.2408960000e+00 -2.4877800000e-01 -4.6085900000e-01
-ENERGY -1.526551799001e+02
-FORCES  1.3893000000e-03 -5.1589000000e-03 -6.1350000000e-04 -3.9194000000e-03  1.0275000000e-03 -9.6400000000e-05  2.4808000000e-03  3.6651000000e-03 -5.9000000000e-05  2.2632000000e-03  5.4867000000e-03 -1.5662000000e-03 -2.7445000000e-03 -3.6158000000e-03 -1.1614000000e-03  5.3060000000e-04 -1.4046000000e-03  3.4964000000e-03
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8474000000e-01  3.6065800000e-01  5.8251000000e-02  5.2710700000e-01  5.6485700000e-01  5.6509000000e-01  3.7976000000e-01 -9.3937300000e-01 -2.8574340000e+00 -3.5934300000e-01 -4.5589300000e-01 -3.2264930000e+00  4.8984500000e-01 -5.7560900000e-01 -1.9789180000e+00
-ENERGY -1.526602839890e+02
-FORCES -2.1927000000e-03  3.2155000000e-03  4.1525000000e-03  4.5562000000e-03 -1.0910000000e-03 -6.5610000000e-04 -3.0559000000e-03 -2.4432000000e-03 -2.7215000000e-03 -2.5036000000e-03  4.1997000000e-03  7.3759000000e-03  1.9174000000e-03 -1.5164000000e-03  1.1523000000e-03  1.2785000000e-03 -2.3647000000e-03 -9.3031000000e-03
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1306300000e-01  3.3906100000e-01  3.7442900000e-01  6.7767900000e-01  5.9667800000e-01  3.1773800000e-01  2.7067830000e+00 -9.0926000000e-01  2.3882410000e+00  2.8707410000e+00 -1.8517300000e+00  2.4214070000e+00  1.8267650000e+00 -8.0587300000e-01  2.7503320000e+00
-ENERGY -1.526553545304e+02
-FORCES  6.5970000000e-04  4.2407000000e-03  1.5669000000e-03  3.5705000000e-03 -1.7931000000e-03 -8.5910000000e-04 -4.5007000000e-03 -2.0414000000e-03 -1.1150000000e-03 -3.3441000000e-03 -4.9361000000e-03  8.4320000000e-04 -3.0920000000e-04  3.8200000000e-03  5.1120000000e-04  3.9238000000e-03  7.1000000000e-04 -9.4710000000e-04
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3767100000e-01 -4.5965900000e-01  5.7023000000e-02 -2.4584300000e-01 -6.2764000000e-02 -9.2295900000e-01  4.2933800000e-01  2.7067060000e+00  3.9960500000e-01  3.0795000000e-01  1.8082460000e+00  9.2576000000e-02  1.9682500000e-01  2.6766590000e+00  1.3276500000e+00
-ENERGY -1.526600788178e+02
-FORCES  2.3925000000e-03 -5.8570000000e-04 -1.2517000000e-03 -4.6079000000e-03  3.1678000000e-03 -7.8190000000e-04  2.7631000000e-03  2.6738000000e-03  5.4386000000e-03 -3.9269000000e-03 -1.5165600000e-02  1.6389000000e-03  2.1955000000e-03  9.1542000000e-03 -2.9361000000e-03  1.1837000000e-03  7.5550000000e-04 -2.1078000000e-03
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6281100000e-01 -4.8867000000e-01  3.0911700000e-01 -3.1336000000e-02 -1.7391600000e-01 -9.4074600000e-01 -2.2749730000e+00  1.1700200000e-01  1.4570320000e+00 -2.6436330000e+00  9.8214400000e-01  1.2785660000e+00 -1.4529300000e+00  1.0067000000e-01  9.6691900000e-01
-ENERGY -1.526608147081e+02
-FORCES -4.0056000000e-03 -2.5631000000e-03  1.5919000000e-03 -3.6989000000e-03  2.1549000000e-03 -2.9419000000e-03  1.5003000000e-03  7.1120000000e-04  4.7478000000e-03  1.2471000000e-02  1.4243000000e-03 -8.3351000000e-03  1.5442000000e-03 -2.3912000000e-03 -5.3980000000e-04 -7.8111000000e-03  6.6380000000e-04  5.4771000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5291000000e-02  9.5491400000e-01 -1.0399000000e-02  8.6393000000e-01 -1.8550000000e-01 -3.6803000000e-01 -1.8834200000e-01  2.7633880000e+00 -3.8044900000e-01 -1.0616390000e+00  3.0897860000e+00 -1.6354200000e-01  4.0962900000e-01  3.3626240000e+00  6.6294000000e-02
-ENERGY -1.526610420950e+02
-FORCES  1.7113000000e-03  1.2841100000e-02 -3.6739000000e-03 -4.4390000000e-04 -9.8733000000e-03  2.8408000000e-03 -2.0167000000e-03  8.2670000000e-04  1.4003000000e-03 -1.1085000000e-03  1.1331000000e-03  1.9907000000e-03  5.2375000000e-03 -1.7521000000e-03 -3.3090000000e-04 -3.3798000000e-03 -3.1755000000e-03 -2.2270000000e-03
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6319800000e-01  9.2937800000e-01  1.6079500000e-01  1.9283200000e-01 -1.2015700000e-01 -9.2984400000e-01  7.3289600000e-01  8.7012100000e-01 -2.5870210000e+00  1.6542820000e+00  9.3835100000e-01 -2.8372680000e+00  4.0539500000e-01  1.7685260000e+00 -2.6299400000e+00
-ENERGY -1.526588738818e+02
-FORCES  4.2401000000e-03  6.0586000000e-03 -1.1531800000e-02 -1.0609000000e-03 -1.5351000000e-03  1.0390000000e-03 -2.1461000000e-03 -4.1038000000e-03  6.4068000000e-03  1.1062000000e-03  3.1955000000e-03  1.5183000000e-03 -4.6562000000e-03  3.8650000000e-04  1.5983000000e-03  2.5170000000e-03 -4.0018000000e-03  9.6940000000e-04
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6016900000e-01  8.6925400000e-01 -3.6739000000e-01 -8.0473700000e-01 -4.8723800000e-01 -1.7671700000e-01 -2.1534620000e+00 -1.6697550000e+00 -3.5445600000e-01 -1.8195440000e+00 -2.5666650000e+00 -3.3764500000e-01 -2.2615330000e+00 -1.4713050000e+00 -1.2846010000e+00
-ENERGY -1.526592833725e+02
-FORCES -1.2038500000e-02 -6.7897000000e-03 -1.6620000000e-04 -1.2634000000e-03 -3.8085000000e-03  5.0500000000e-05  8.3558000000e-03  7.2713000000e-03 -3.5605000000e-03  3.5557000000e-03 -3.1663000000e-03 -1.5387000000e-03 -2.0884000000e-03  5.0724000000e-03 -9.3450000000e-04  3.4788000000e-03  1.4209000000e-03  6.1495000000e-03
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7054100000e-01  4.9107600000e-01 -2.8520600000e-01  3.5552100000e-01 -7.9556500000e-01  3.9612200000e-01  1.7623230000e+00  1.0926010000e+00  2.4483070000e+00  1.6658530000e+00  1.9860680000e+00  2.7779150000e+00  2.0525820000e+00  1.2009450000e+00  1.5426340000e+00
-ENERGY -1.526515270634e+02
-FORCES  4.4185000000e-03 -1.5290000000e-03  3.6358000000e-03 -1.4127000000e-03 -7.1700000000e-04  2.2274000000e-03 -1.3428000000e-03  2.9429000000e-03 -3.3417000000e-03 -1.7253000000e-03  4.6572000000e-03 -2.6756000000e-03  7.6050000000e-04 -3.7448000000e-03 -1.4326000000e-03 -6.9830000000e-04 -1.6093000000e-03  1.5866000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2613500000e-01  4.4056800000e-01  1.9907800000e-01  6.6353200000e-01  5.1578700000e-01  4.5817200000e-01  1.4612860000e+00  2.1159540000e+00  1.4899220000e+00  2.3261770000e+00  2.3419020000e+00  1.1476610000e+00  1.5785050000e+00  2.0890400000e+00  2.4395370000e+00
-ENERGY -1.526611272931e+02
-FORCES  2.0388000000e-03  8.9662000000e-03  5.7267000000e-03  1.5340000000e-03 -2.2667000000e-03 -8.4850000000e-04 -2.5577000000e-03 -7.2580000000e-03 -5.1562000000e-03  3.5090000000e-03  2.0563000000e-03  3.0425000000e-03 -4.3115000000e-03 -1.9471000000e-03  2.0511000000e-03 -2.1240000000e-04  4.4930000000e-04 -4.8156000000e-03
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6325400000e-01  3.7341000000e-01 -1.7773300000e-01  3.3801000000e-02 -2.5440400000e-01  9.2215400000e-01  2.5365610000e+00  9.3315400000e-01 -2.2159000000e-02  2.6657990000e+00  1.8175170000e+00  3.2052500000e-01  2.7591430000e+00  1.0006650000e+00 -9.5066900000e-01
-ENERGY -1.526590080305e+02
-FORCES  1.6929300000e-02  4.6562000000e-03  3.7479000000e-03 -7.6951000000e-03 -2.1880000000e-03 -4.8871000000e-03 -9.6120000000e-04  9.0580000000e-04 -1.9150000000e-03 -3.5440000000e-03  1.7316000000e-03 -1.3170000000e-04 -5.2480000000e-04 -4.8716000000e-03 -2.3027000000e-03 -4.2042000000e-03 -2.3390000000e-04  5.4885000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0290900000e-01  8.9169900000e-01 -1.7132100000e-01  8.2592300000e-01 -6.9055000000e-02 -4.7886800000e-01 -4.1282100000e-01 -8.5993700000e-01  2.6812260000e+00 -2.0930000000e-01  5.5007000000e-02  2.8753600000e+00 -4.2586000000e-02 -1.0087520000e+00  1.8111620000e+00
-ENERGY -1.526579593159e+02
-FORCES -1.2354000000e-03  3.9822000000e-03 -2.7740000000e-04  2.5750000000e-03 -3.7896000000e-03  3.4740000000e-04 -3.8662000000e-03  5.5400000000e-05  3.7109000000e-03  2.5189000000e-03  6.2434000000e-03 -1.1056000000e-02 -1.0893000000e-03 -2.0206000000e-03  1.1600000000e-03  1.0969000000e-03 -4.4708000000e-03  6.1150000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1632200000e-01 -6.3383000000e-01  3.7064000000e-02 -3.6052900000e-01  7.4143700000e-01 -4.8633500000e-01 -9.2268200000e-01  2.1636170000e+00 -1.3863350000e+00 -9.9450000000e-01  3.1111490000e+00 -1.2711950000e+00 -8.7483800000e-01  2.0400010000e+00 -2.3343120000e+00
-ENERGY -1.526606735720e+02
-FORCES -6.2620000000e-03  1.0074900000e-02 -5.3531000000e-03  1.6369000000e-03  2.3830000000e-03 -1.0303000000e-03  2.5961000000e-03 -8.7307000000e-03  2.1765000000e-03  2.7431000000e-03 -7.2440000000e-04  2.0727000000e-03 -1.3240000000e-04 -4.0921000000e-03 -2.9017000000e-03 -5.8170000000e-04  1.0893000000e-03  5.0360000000e-03
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1300000000e-01  2.8749400000e-01 -3.1850000000e-03  4.7043600000e-01  6.9996000000e-01  4.5274400000e-01  2.2640700000e-01 -2.7816790000e+00  2.3959200000e-01 -5.9745000000e-02 -1.8691140000e+00  2.7928300000e-01  1.0595950000e+00 -2.7516900000e+00 -2.3065200000e-01
-ENERGY -1.526600404291e+02
-FORCES  6.1490000000e-04  9.7310000000e-04  2.2410000000e-03  5.0100000000e-03 -2.6494000000e-03  1.0898000000e-03 -3.0096000000e-03 -2.5265000000e-03 -2.9301000000e-03  2.5109000000e-03  1.3474300000e-02 -2.8019000000e-03 -3.5619000000e-03 -7.9106000000e-03  8.4630000000e-04 -1.5643000000e-03 -1.3609000000e-03  1.5548000000e-03
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3679500000e-01 -1.5109900000e-01 -1.2576500000e-01 -4.2329900000e-01 -5.6905400000e-01 -6.4282800000e-01 -1.4521820000e+00 -1.9124730000e+00 -1.5012950000e+00 -2.1866610000e+00 -2.2676470000e+00 -1.0006720000e+00 -1.8277900000e+00 -1.6894800000e+00 -2.3530140000e+00
-ENERGY -1.526618492424e+02
-FORCES -3.2680000000e-03 -8.5257000000e-03 -6.5547000000e-03 -3.0122000000e-03  7.1500000000e-05 -2.6140000000e-04  5.5354000000e-03  7.9569000000e-03  4.6655000000e-03 -3.9479000000e-03 -1.0720000000e-04  1.3555000000e-03  2.9836000000e-03  1.5235000000e-03 -3.8518000000e-03  1.7091000000e-03 -9.1900000000e-04  4.6469000000e-03
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9010700000e-01  5.8532400000e-01 -4.7476400000e-01  3.1215000000e-02  3.5846500000e-01  8.8699500000e-01 -3.5686500000e-01  6.3757300000e-01  2.7213220000e+00 -1.3059760000e+00  7.2255000000e-01  2.6307780000e+00 -7.1137000000e-02  1.4861530000e+00  3.0597060000e+00
-ENERGY -1.526596482415e+02
-FORCES -1.1267000000e-03  4.2768000000e-03  1.0848100000e-02  1.1320000000e-03 -1.5372000000e-03  2.9011000000e-03 -5.3800000000e-04 -7.5910000000e-04 -1.0931900000e-02 -3.3468000000e-03  1.4666000000e-03  1.6439000000e-03  5.8842000000e-03  8.0740000000e-04 -1.2522000000e-03 -2.0047000000e-03 -4.2544000000e-03 -3.2090000000e-03
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4571600000e-01  1.3987900000e-01 -4.7819000000e-02  3.3890000000e-01  7.9181400000e-01  4.1762400000e-01 -1.8903850000e+00  8.0530800000e-01  3.2190050000e+00 -2.6997990000e+00  3.9103300000e-01  3.5180990000e+00 -1.8821270000e+00  1.6578390000e+00  3.6541540000e+00
-ENERGY -1.526552324331e+02
-FORCES -3.4847000000e-03  3.8537000000e-03  4.0262000000e-03  3.7192000000e-03 -8.4200000000e-04 -1.7376000000e-03 -2.4870000000e-04 -2.5648000000e-03 -2.8205000000e-03 -3.4584000000e-03  1.0429000000e-03  4.2461000000e-03  3.3006000000e-03  2.0129000000e-03 -1.4381000000e-03  1.7200000000e-04 -3.5026000000e-03 -2.2762000000e-03
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7072800000e-01  7.6832900000e-01  5.4475100000e-01  1.3330500000e-01  3.0717800000e-01 -8.9671800000e-01 -2.6597430000e+00 -1.2441150000e+00  1.6610500000e-01 -1.9271480000e+00 -6.4576200000e-01  1.9445000000e-02 -2.5184160000e+00 -1.5845400000e+00  1.0494900000e+00
-ENERGY -1.526604655190e+02
-FORCES  3.4706000000e-03  3.4535000000e-03 -1.3678000000e-03 -1.4874000000e-03 -4.0411000000e-03 -2.8849000000e-03 -2.0077000000e-03 -1.1964000000e-03  5.1063000000e-03  1.0738500000e-02  2.7906000000e-03  2.6652000000e-03 -9.3488000000e-03 -2.0010000000e-03 -1.3550000000e-03 -1.3651000000e-03  9.9440000000e-04 -2.1637000000e-03
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4845600000e-01  7.0649000000e-02  1.0803600000e-01  3.4907400000e-01  7.8263100000e-01  4.2645900000e-01  3.2163560000e+00 -1.0552000000e-01 -5.3046800000e-01  3.1401590000e+00 -1.0299020000e+00 -7.6699400000e-01  2.9283390000e+00 -6.6631000000e-02  3.8154400000e-01
-ENERGY -1.526544147258e+02
-FORCES -2.3992000000e-03  4.7412000000e-03  8.8960000000e-04  4.2733000000e-03 -3.5530000000e-04 -7.6460000000e-04 -1.2500000000e-03 -4.1670000000e-03 -4.5800000000e-05 -4.4277000000e-03 -5.2946000000e-03  1.9608000000e-03  2.1921000000e-03  3.3557000000e-03  7.9130000000e-04  1.6114000000e-03  1.7201000000e-03 -2.8312000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5836500000e-01 -8.8322700000e-01 -3.3325900000e-01  1.2814000000e-02 -1.0132000000e-01  9.5173600000e-01 -2.7848710000e+00 -3.7794200000e-01 -1.8669750000e+00 -3.2758750000e+00  2.7568000000e-01 -2.3648970000e+00 -2.8786670000e+00 -1.0467700000e-01 -9.5441800000e-01
-ENERGY -1.526558446752e+02
-FORCES  8.5990000000e-04 -4.8047000000e-03  5.5080000000e-04  1.1681000000e-03  3.8146000000e-03  3.3305000000e-03 -1.1490000000e-03  6.7050000000e-04 -4.1153000000e-03 -1.0283000000e-03  5.5484000000e-03  1.9401000000e-03  1.5448000000e-03 -2.6223000000e-03  2.0425000000e-03 -1.3955000000e-03 -2.6065000000e-03 -3.7486000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9008800000e-01 -1.5059600000e-01 -6.4601200000e-01 -1.7968200000e-01  9.3856500000e-01 -5.5147000000e-02 -7.2790400000e-01  2.5885930000e+00 -1.2382400000e-01 -1.6259070000e+00  2.9114190000e+00 -1.9871000000e-01 -2.0483800000e-01  3.3717420000e+00  4.7381000000e-02
-ENERGY -1.526603265556e+02
-FORCES -2.9255000000e-03  1.3816200000e-02 -2.2033000000e-03 -1.7210000000e-03  1.7551000000e-03  1.8066000000e-03  3.2081000000e-03 -8.1744000000e-03  1.2160000000e-04 -9.9300000000e-05 -4.9543000000e-03  1.0812000000e-03  5.1100000000e-03  6.6330000000e-04  5.9070000000e-04 -3.5722000000e-03 -3.1059000000e-03 -1.3968000000e-03
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7419600000e-01 -6.3995400000e-01  2.2836500000e-01 -1.2623900000e-01 -1.1033000000e-01 -9.4240300000e-01 -1.5578350000e+00 -3.1334270000e+00 -3.2933200000e-01 -2.2625020000e+00 -3.7552010000e+00 -5.1119100000e-01 -1.7884710000e+00 -2.3545100000e+00 -8.3562000000e-01
-ENERGY -1.526548468466e+02
-FORCES  3.5972000000e-03 -3.7957000000e-03 -1.6538000000e-03 -2.2591000000e-03  3.9331000000e-03 -1.3036000000e-03 -1.1302000000e-03 -1.2930000000e-04  3.7317000000e-03 -4.6936000000e-03  1.2332000000e-03 -1.7184000000e-03  2.9064000000e-03  2.7874000000e-03  7.3550000000e-04  1.5793000000e-03 -4.0287000000e-03  2.0860000000e-04
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0261000000e-02  7.5159600000e-01  5.9196200000e-01  3.4284600000e-01  3.3357000000e-01 -8.2910800000e-01  3.9392500000e-01  8.0215700000e-01 -2.4590420000e+00  1.5526400000e-01  1.7281060000e+00 -2.5025270000e+00  1.2159490000e+00  7.4308100000e-01 -2.9458870000e+00
-ENERGY -1.526574708669e+02
-FORCES  3.5393000000e-03  5.8963000000e-03 -1.7027500000e-02  2.8000000000e-06 -7.9620000000e-04 -3.8900000000e-03 -4.2480000000e-04 -7.6510000000e-04  9.8012000000e-03 -1.2299000000e-03 -3.3020000000e-04  6.0282000000e-03  2.7327000000e-03 -5.1368000000e-03  1.5570000000e-03 -4.6202000000e-03  1.1320000000e-03  3.5310000000e-03
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1635000000e-02 -7.9975400000e-01 -5.2341100000e-01 -2.6075400000e-01 -2.9958400000e-01  8.7091300000e-01  2.5727840000e+00  9.4959700000e-01 -4.1342700000e-01  1.7217070000e+00  6.1138400000e-01 -1.3501700000e-01  2.4963030000e+00  1.0393080000e+00 -1.3633400000e+00
-ENERGY -1.526601362958e+02
-FORCES  8.5360000000e-04 -2.8331000000e-03  8.1730000000e-04  1.1769000000e-03  5.0241000000e-03  2.9203000000e-03  2.0920000000e-03  1.0300000000e-03 -4.9810000000e-03 -1.4370900000e-02 -2.7947000000e-03  2.0370000000e-04  1.0146700000e-02  8.2910000000e-04 -1.3817000000e-03  1.0170000000e-04 -1.2554000000e-03  2.4213000000e-03
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4784800000e-01 -1.0643400000e-01  8.0546000000e-02 -2.6842700000e-01 -6.9070600000e-01 -6.0589100000e-01 -6.0642300000e-01  6.9304400000e-01  2.4826750000e+00  2.8916000000e-02  3.2872000000e-02  2.7597120000e+00 -6.7688400000e-01  5.7564600000e-01  1.5353190000e+00
-ENERGY -1.526574938240e+02
-FORCES  3.5070000000e-04  3.3650000000e-04  7.3841000000e-03 -5.1185000000e-03 -1.0523000000e-03 -2.9940000000e-04  2.6964000000e-03  2.9855000000e-03  3.4027000000e-03  4.1225000000e-03 -7.4586000000e-03 -1.6087500000e-02 -3.0840000000e-04  1.8639000000e-03 -1.5030000000e-04 -1.7427000000e-03  3.3250000000e-03  5.7504000000e-03
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7929500000e-01 -3.7623400000e-01  3.9000000000e-02 -4.9769400000e-01 -6.0913100000e-01 -5.4542900000e-01 -5.4077200000e-01  6.7544000000e-01  2.6454470000e+00  2.0349000000e-01  3.3261300000e-01  3.1401960000e+00 -4.6715600000e-01  2.6317100000e-01  1.7847230000e+00
-ENERGY -1.526593304069e+02
-FORCES  1.4704000000e-03 -1.5364000000e-03 -9.7130000000e-04 -5.4174000000e-03  1.2765000000e-03  1.3616000000e-03  3.1396000000e-03  2.8858000000e-03  3.4184000000e-03  3.3296000000e-03 -3.7102000000e-03 -1.1580300000e-02 -1.5583000000e-03  6.2110000000e-04 -2.7685000000e-03 -9.6380000000e-04  4.6320000000e-04  1.0540200000e-02
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0681900000e-01  9.3034300000e-01 -1.9820100000e-01  1.6243400000e-01 -4.4299200000e-01 -8.3283000000e-01  3.3513570000e+00  1.9966600000e-01 -9.1098500000e-01  4.2635960000e+00 -6.9536000000e-02 -8.0336100000e-01  2.9633770000e+00 -4.8139800000e-01 -1.4603990000e+00
-ENERGY -1.526533584270e+02
-FORCES  3.2335000000e-03  3.2249000000e-03 -3.6803000000e-03 -2.1226000000e-03 -3.8001000000e-03  6.5820000000e-04 -3.4860000000e-04  8.2940000000e-04  2.6818000000e-03  2.5448000000e-03 -4.6090000000e-03 -6.0110000000e-04 -3.8890000000e-03  1.1479000000e-03 -4.7260000000e-04  5.8190000000e-04  3.2068000000e-03  1.4139000000e-03
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5495100000e-01 -4.5587500000e-01  3.7210100000e-01  2.0152900000e-01  7.6406000000e-02 -9.3262000000e-01 -2.4604190000e+00  1.5495600000e-01  1.4065680000e+00 -2.3302280000e+00  1.0875480000e+00  1.5784790000e+00 -1.6649740000e+00 -1.1815500000e-01  9.4950100000e-01
-ENERGY -1.526611456466e+02
-FORCES  7.6510000000e-04 -7.2830000000e-04 -1.9814000000e-03 -3.8248000000e-03  2.2480000000e-03 -2.4230000000e-03  6.1830000000e-04 -4.8070000000e-04  4.7921000000e-03  1.0524900000e-02  2.4737000000e-03 -5.7802000000e-03 -1.2539000000e-03 -2.2598000000e-03  5.8100000000e-05 -6.8296000000e-03 -1.2529000000e-03  5.3344000000e-03
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5530700000e-01 -6.9398600000e-01  7.2026000000e-02 -4.8611700000e-01  7.5582100000e-01 -3.2963100000e-01  1.2280730000e+00  2.8714490000e+00  4.1573400000e-01  2.0526940000e+00  2.4568760000e+00  6.6942900000e-01  1.0655720000e+00  2.5578990000e+00 -4.7393500000e-01
-ENERGY -1.526544555102e+02
-FORCES -5.3215000000e-03  1.2599000000e-03  7.0660000000e-04  2.7560000000e-03  3.2101000000e-03  6.8000000000e-05  3.0972000000e-03 -3.2260000000e-03 -1.5250000000e-03  4.0522000000e-03 -6.1908000000e-03 -1.4275000000e-03 -2.3796000000e-03  3.4931000000e-03 -9.6160000000e-04 -2.2043000000e-03  1.4536000000e-03  3.1395000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4269400000e-01  8.5685100000e-01 -2.5416200000e-01  7.0415900000e-01 -1.7190800000e-01 -6.2517200000e-01  2.4806290000e+00  1.8039370000e+00  1.2289630000e+00  2.6752580000e+00  9.0043000000e-01  1.4780150000e+00  1.6932210000e+00  2.0255880000e+00  1.7260470000e+00
-ENERGY -1.526561374006e+02
-FORCES  3.2145000000e-03  4.4678000000e-03 -4.5876000000e-03  3.5360000000e-04 -3.5094000000e-03  1.6448000000e-03 -3.2264000000e-03 -7.2610000000e-04  2.5290000000e-03 -4.7436000000e-03 -4.9237000000e-03  3.5276000000e-03  9.7900000000e-04  3.7620000000e-03 -1.2681000000e-03  3.4228000000e-03  9.2940000000e-04 -1.8457000000e-03
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9708000000e-02 -8.7424800000e-01 -3.8348700000e-01 -1.9785300000e-01 -1.2839400000e-01  9.2768600000e-01  2.5173370000e+00  1.2607560000e+00 -3.9632700000e-01  1.7555440000e+00  8.6270000000e-01  2.4925000000e-02  2.2267160000e+00  1.4498450000e+00 -1.2885250000e+00
-ENERGY -1.526599176836e+02
-FORCES -1.2400000000e-05 -3.9338000000e-03 -1.7810000000e-04 -2.3550000000e-04  4.4342000000e-03  2.2900000000e-03  3.0960000000e-03  8.6680000000e-04 -4.9507000000e-03 -1.2895900000e-02 -4.4888000000e-03 -1.5826000000e-03  7.7848000000e-03  3.4501000000e-03  2.8219000000e-03  2.2631000000e-03 -3.2840000000e-04  1.5995000000e-03
-
-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8842200000e-01  1.6043200000e-01  3.1811900000e-01  5.2444200000e-01  6.9948400000e-01  3.8976100000e-01  4.2123900000e-01 -8.1618000000e-01 -2.5963130000e+00 -3.5252300000e-01 -3.7178100000e-01 -2.9427710000e+00  4.7886600000e-01 -5.2364100000e-01 -1.6867350000e+00
-ENERGY -1.526596191145e+02
-FORCES -2.4509000000e-03  3.8970000000e-04 -2.3880000000e-03  4.7676000000e-03  5.9360000000e-04 -8.4560000000e-04 -3.2410000000e-03 -3.4175000000e-03 -2.5471000000e-03 -4.7252000000e-03  5.5330000000e-03  1.2796300000e-02  1.6012000000e-03 -1.3378000000e-03  5.5960000000e-04  4.0483000000e-03 -1.7610000000e-03 -7.5753000000e-03
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2511100000e-01 -3.3153900000e-01  3.5426800000e-01 -1.9657000000e-01  2.0543000000e-01 -9.1399700000e-01 -2.4238440000e+00 -1.1598500000e+00  2.7640000000e-01 -2.4709660000e+00 -2.0615190000e+00 -4.1412000000e-02 -2.6231740000e+00 -1.2238820000e+00  1.2104230000e+00
-ENERGY -1.526583118558e+02
-FORCES -1.6656400000e-02 -6.3440000000e-03 -2.0905000000e-03  6.4887000000e-03  3.7148000000e-03  4.7432000000e-03  1.7597000000e-03 -5.6850000000e-04  1.6342000000e-03  5.0562000000e-03 -2.3949000000e-03 -1.1398000000e-03 -7.7320000000e-04  4.6456000000e-03  2.1607000000e-03  4.1250000000e-03  9.4700000000e-04 -5.3077000000e-03
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3361000000e-02  1.2208300000e-01 -9.4654400000e-01 -8.8086500000e-01 -2.5029500000e-01  2.7867700000e-01  8.5736300000e-01  2.0542950000e+00  1.5022600000e+00  1.7520020000e+00  1.7638870000e+00  1.3247270000e+00  3.0378100000e-01  1.4063920000e+00  1.0663700000e+00
-ENERGY -1.526582153038e+02
-FORCES  7.1450000000e-04  4.4720000000e-03 -3.2590000000e-04 -7.3800000000e-05 -1.2530000000e-03  5.1946000000e-03  5.2592000000e-03  4.3003000000e-03 -7.9780000000e-04 -1.8564000000e-03 -1.5034600000e-02 -1.0815800000e-02 -1.2133000000e-03  2.1018000000e-03  7.0640000000e-04 -2.8303000000e-03  5.4135000000e-03  6.0385000000e-03
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8460500000e-01  6.3944000000e-01 -1.9663500000e-01  4.7573700000e-01 -7.8607100000e-01  2.6832700000e-01  1.1131780000e+00 -2.3554410000e+00  1.1853130000e+00  7.4987500000e-01 -3.1776390000e+00  8.5632400000e-01  8.1738200000e-01 -2.3091370000e+00  2.0944850000e+00
-ENERGY -1.526622426187e+02
-FORCES  6.6979000000e-03 -7.6164000000e-03  3.2741000000e-03 -1.6298000000e-03 -2.4908000000e-03  1.0892000000e-03 -4.6332000000e-03  9.0915000000e-03 -4.5032000000e-03 -3.3968000000e-03 -2.3504000000e-03  2.8227000000e-03  1.4910000000e-03  4.2633000000e-03  2.1496000000e-03  1.4708000000e-03 -8.9730000000e-04 -4.8323000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1880100000e-01 -4.0310900000e-01  2.8861800000e-01 -3.7193000000e-02 -1.7847900000e-01 -9.3967700000e-01  5.5778900000e-01  1.9092480000e+00  3.2174600000e+00  6.8525000000e-01  9.8705400000e-01  3.4400420000e+00 -2.7088900000e-01  2.1445370000e+00  3.6347890000e+00
-ENERGY -1.526533286202e+02
-FORCES  3.8204000000e-03 -1.4070000000e-03 -2.7798000000e-03 -3.6171000000e-03  8.2540000000e-04 -7.9990000000e-04  1.7900000000e-05  7.9170000000e-04  3.9152000000e-03 -4.1794000000e-03 -3.0444000000e-03  1.3508000000e-03  3.8250000000e-04  3.4933000000e-03 -6.3340000000e-04  3.5758000000e-03 -6.5890000000e-04 -1.0529000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2963200000e-01 -4.4033100000e-01  1.8452700000e-01 -2.5282700000e-01  8.2156700000e-01 -4.2111500000e-01  8.6224400000e-01  9.2313000000e-02 -3.1515940000e+00  2.0501900000e-01 -3.7041500000e-01 -2.6318150000e+00  5.7691700000e-01 -2.3981000000e-02 -4.0578480000e+00
-ENERGY -1.526560675577e+02
-FORCES -3.0670000000e-03  3.8252000000e-03  1.9275000000e-03  3.8403000000e-03  1.5241000000e-03 -2.4138000000e-03 -2.3900000000e-05 -5.2396000000e-03  1.6293000000e-03 -2.5070000000e-03 -3.7863000000e-03 -5.9800000000e-05  9.6740000000e-04  3.3241000000e-03 -5.2526000000e-03  7.9020000000e-04  3.5250000000e-04  4.1694000000e-03
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7583300000e-01 -2.8117100000e-01  2.6474700000e-01  8.9390000000e-03 -5.4923000000e-02 -9.5558100000e-01  4.4850500000e-01 -4.2778500000e-01 -2.6369540000e+00  1.3772350000e+00 -6.3290600000e-01 -2.5291670000e+00  1.1274300000e-01 -1.1244900000e+00 -3.2009550000e+00
-ENERGY -1.526581768716e+02
-FORCES  3.1348000000e-03 -3.3281000000e-03 -1.5128900000e-02 -1.6950000000e-03  5.8150000000e-04 -1.8930000000e-03  9.1800000000e-04  2.0428000000e-03  8.8923000000e-03 -7.1100000000e-05 -3.2225000000e-03  4.2976000000e-03 -5.4664000000e-03  6.4670000000e-04  1.3665000000e-03  3.1796000000e-03  3.2797000000e-03  2.4655000000e-03
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2132700000e-01 -3.0118000000e-01  3.8851600000e-01  9.9380000000e-02 -1.7374100000e-01 -9.3603900000e-01  4.0953300000e-01 -6.7446500000e-01 -2.5880360000e+00  1.3141020000e+00 -9.7868300000e-01 -2.6617800000e+00 -6.5890000000e-02 -1.1716540000e+00 -3.2536250000e+00
-ENERGY -1.526589445494e+02
-FORCES  2.8436000000e-03 -4.6851000000e-03 -1.3913100000e-02 -1.6112000000e-03  5.2090000000e-04 -2.3047000000e-03  1.1732000000e-03  2.7065000000e-03  8.4846000000e-03 -1.6105000000e-03 -1.5523000000e-03  4.3175000000e-03 -4.9717000000e-03  1.0715000000e-03  1.1559000000e-03  4.1766000000e-03  1.9385000000e-03  2.2597000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7379000000e-02  9.4763300000e-01 -1.2640400000e-01  7.7222600000e-01 -2.7008700000e-01 -4.9694200000e-01 -4.8078000000e-01 -9.1990000000e-01  2.6691120000e+00 -1.8232700000e-01 -1.0162300000e-01  3.0660750000e+00 -2.2430600000e-01 -8.4815400000e-01  1.7497070000e+00
-ENERGY -1.526600417916e+02
-FORCES  8.1730000000e-04  3.5633000000e-03 -7.2230000000e-04  1.3297000000e-03 -4.5521000000e-03  9.1100000000e-05 -3.7373000000e-03  1.6205000000e-03  3.2797000000e-03  2.8012000000e-03  6.2112000000e-03 -9.9853000000e-03 -1.0558000000e-03 -2.0144000000e-03 -5.8790000000e-04 -1.5500000000e-04 -4.8284000000e-03  7.9248000000e-03
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9411900000e-01  2.7559500000e-01  2.0206700000e-01  2.0440900000e-01 -6.5772700000e-01  6.6471300000e-01 -2.4351320000e+00  9.7233700000e-01  2.2727000000e-02 -2.8833970000e+00  2.0027000000e-01 -3.2253200000e-01 -2.8193560000e+00  1.7069350000e+00 -4.5578000000e-01
-ENERGY -1.526577437308e+02
-FORCES -1.3619900000e-02  8.0653000000e-03  1.4201000000e-03  4.8823000000e-03 -8.7816000000e-03  5.1040000000e-04 -3.6476000000e-03  2.2282000000e-03 -1.8304000000e-03  8.5362000000e-03 -4.6810000000e-04 -4.4804000000e-03  4.2890000000e-03  3.6974000000e-03  2.5215000000e-03 -4.4000000000e-04 -4.7413000000e-03  1.8587000000e-03
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0194000000e-01 -3.3354500000e-01  4.0233300000e-01 -1.8331900000e-01 -3.7630000000e-03 -9.3947400000e-01 -2.3974760000e+00 -1.0080290000e+00 -4.1120000000e-02 -2.4956730000e+00 -1.7603280000e+00 -6.2476000000e-01 -2.5455640000e+00 -1.3632770000e+00  8.3529400000e-01
-ENERGY -1.526529374475e+02
-FORCES -2.1252100000e-02 -7.4609000000e-03 -5.1642000000e-03  2.2576000000e-03 -1.9150000000e-04  8.3543000000e-03  2.9626000000e-03  9.6600000000e-05  3.0190000000e-04  1.0578700000e-02 -2.3180000000e-04 -1.7022000000e-03  1.4850000000e-04  4.2015000000e-03  2.9127000000e-03  5.3047000000e-03  3.5861000000e-03 -4.7025000000e-03
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4771300000e-01 -5.2373100000e-01  2.8785800000e-01 -1.1875000000e-01 -2.3651700000e-01 -9.1988600000e-01 -1.7856560000e+00 -2.7660150000e+00 -3.2815900000e-01 -2.6001550000e+00 -3.2686800000e+00 -3.4042300000e-01 -1.9754230000e+00 -1.9887110000e+00 -8.5353400000e-01
-ENERGY -1.526539694098e+02
-FORCES  3.4722000000e-03 -5.1895000000e-03 -1.1308000000e-03 -2.1639000000e-03  3.5140000000e-03 -1.3546000000e-03 -1.7233000000e-03  8.5220000000e-04  3.3185000000e-03 -4.6587000000e-03  2.3581000000e-03 -8.4110000000e-04  3.4584000000e-03  2.2979000000e-03  2.2980000000e-04  1.6155000000e-03 -3.8326000000e-03 -2.2180000000e-04
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2200000000e-01 -9.0845100000e-01 -2.0412000000e-01 -4.3780400000e-01  1.7256500000e-01  8.3353500000e-01 -1.5771500000e-01 -8.2082700000e-01 -3.6070970000e+00 -6.2100000000e-03 -1.7658940000e+00 -3.6183370000e+00 -7.7163900000e-01 -6.8476200000e-01 -2.8854210000e+00
-ENERGY -1.526535583919e+02
-FORCES -1.5121000000e-03 -2.7280000000e-03  4.0833000000e-03 -2.5230000000e-04  4.0599000000e-03 -4.7540000000e-04  1.9613000000e-03 -8.0320000000e-04 -3.8106000000e-03 -1.6123000000e-03 -1.7430000000e-03  2.9432000000e-03 -7.3340000000e-04  3.8221000000e-03  6.9430000000e-04  2.1488000000e-03 -2.6079000000e-03 -3.4348000000e-03
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2522400000e-01 -9.1288300000e-01 -2.5922100000e-01 -3.1956700000e-01  3.9509000000e-02  9.0141400000e-01  2.4070290000e+00  1.0488230000e+00 -4.5056000000e-01  1.6694270000e+00  6.5508600000e-01  1.5430000000e-02  2.0484210000e+00  1.2948710000e+00 -1.3032570000e+00
-ENERGY -1.526580845601e+02
-FORCES  4.7316000000e-03 -7.6860000000e-04 -1.4584000000e-03  1.4970000000e-04  5.0718000000e-03  1.9130000000e-03  4.2165000000e-03 -4.3140000000e-04 -4.8559000000e-03 -1.8280200000e-02 -6.0869000000e-03 -1.1020000000e-04  6.7386000000e-03  2.5192000000e-03  3.6179000000e-03  2.4437000000e-03 -3.0410000000e-04  8.9360000000e-04
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6535200000e-01  9.2533100000e-01  1.8070300000e-01 -1.4826600000e-01 -3.7231000000e-02 -9.4491400000e-01  6.2049100000e-01  2.7831680000e+00  4.3017400000e-01 -1.5778300000e-01  3.3027930000e+00  2.2890100000e-01  5.8864500000e-01  2.6609120000e+00  1.3790000000e+00
-ENERGY -1.526602833680e+02
-FORCES  3.3638000000e-03  1.1396600000e-02 -2.7488000000e-03 -3.7593000000e-03 -9.5546000000e-03  2.7133000000e-03 -1.2960000000e-04  2.3300000000e-04  2.7522000000e-03 -2.1951000000e-03  3.6050000000e-03  2.9803000000e-03  3.8543000000e-03 -3.8175000000e-03  9.6350000000e-04 -1.1341000000e-03 -1.8625000000e-03 -6.6605000000e-03
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4799500000e-01  1.2923600000e-01  2.8898000000e-02  3.6553500000e-01  8.7557000000e-01  1.2646100000e-01  4.2304800000e-01 -8.3495500000e-01  3.4668210000e+00 -4.4553200000e-01 -5.2633800000e-01  3.2088330000e+00  5.4211800000e-01 -5.0094300000e-01  4.3559160000e+00
-ENERGY -1.526529561151e+02
-FORCES -9.0260000000e-04  4.0492000000e-03  2.5230000000e-04  3.8146000000e-03 -7.4080000000e-04  1.0220000000e-03 -2.1197000000e-03 -3.3915000000e-03 -8.6960000000e-04 -3.3949000000e-03  2.0619000000e-03  1.4084000000e-03  2.8728000000e-03 -8.4380000000e-04  2.2406000000e-03 -2.7020000000e-04 -1.1351000000e-03 -4.0537000000e-03
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2269100000e-01 -9.4502900000e-01  8.9992000000e-02 -8.4975900000e-01  1.7140900000e-01  4.0590700000e-01  5.2947200000e-01 -2.5103510000e+00  4.1147400000e-01  1.4527220000e+00 -2.7416450000e+00  3.0975900000e-01  5.6743000000e-02 -3.3208030000e+00  2.2193300000e-01
-ENERGY -1.526584800323e+02
-FORCES  2.0269000000e-03 -1.8785600000e-02  4.2340000000e-03 -4.5990000000e-04  7.6501000000e-03 -1.1598000000e-03  1.8358000000e-03 -2.0263000000e-03 -1.1221000000e-03 -1.3436000000e-03  9.9899000000e-03 -3.4350000000e-03 -5.6326000000e-03 -3.1050000000e-04  8.8600000000e-05  3.5734000000e-03  3.4823000000e-03  1.3943000000e-03
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1496800000e-01 -6.0691600000e-01  6.1293200000e-01  2.6508800000e-01  8.6773100000e-01  3.0496300000e-01  5.7763400000e-01  6.8122300000e-01 -2.6222690000e+00  1.5121740000e+00  5.9278700000e-01 -2.8094750000e+00  4.9742600000e-01  4.6473300000e-01 -1.6933290000e+00
-ENERGY -1.526588610181e+02
-FORCES  1.7375000000e-03 -7.0370000000e-04  1.4958000000e-03 -1.8850000000e-03  4.0765000000e-03 -2.4307000000e-03  5.5570000000e-04 -5.5920000000e-03 -5.2043000000e-03 -7.2280000000e-04 -5.8812000000e-03  1.0844700000e-02 -2.8051000000e-03  7.8600000000e-05  1.9434000000e-03  3.1197000000e-03  8.0218000000e-03 -6.6489000000e-03
-
-JOB 180
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8130000000e-02  8.4441900000e-01  4.4988600000e-01 -3.1343000000e-02  2.2262300000e-01 -9.3042400000e-01  3.0649200000e-01  2.7854040000e+00  6.4583400000e-01 -2.9359300000e-01  3.5014390000e+00  4.3745000000e-01  4.1124100000e-01  2.8289790000e+00  1.5962870000e+00
-ENERGY -1.526596667018e+02
-FORCES  1.4006000000e-03  1.2654100000e-02 -1.5142000000e-03 -8.6680000000e-04 -8.5326000000e-03  2.4348000000e-03 -5.1660000000e-04 -1.9027000000e-03  1.8905000000e-03 -1.5346000000e-03  3.0496000000e-03  1.3043000000e-03  3.3366000000e-03 -3.3295000000e-03  1.3112000000e-03 -1.8192000000e-03 -1.9388000000e-03 -5.4266000000e-03
-
-JOB 181
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5079700000e-01 -8.9247600000e-01 -2.3836700000e-01 -1.0699600000e-01  3.3565000000e-02  9.5060900000e-01 -2.7708040000e+00 -4.8186000000e-01 -2.2656820000e+00 -3.4123490000e+00  9.1840000000e-02 -2.6846330000e+00 -2.8176590000e+00 -2.5622200000e-01 -1.3366370000e+00
-ENERGY -1.526551484636e+02
-FORCES  6.5550000000e-04 -4.2090000000e-03  2.0130000000e-03  3.6000000000e-04  4.3415000000e-03  2.3661000000e-03 -3.8690000000e-04  5.6700000000e-05 -4.2924000000e-03 -2.0233000000e-03  4.8920000000e-03  1.9175000000e-03  2.2992000000e-03 -2.3814000000e-03  1.7353000000e-03 -9.0460000000e-04 -2.6998000000e-03 -3.7395000000e-03
-
-JOB 182
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1421400000e-01 -7.7703000000e-01 -3.7534300000e-01  9.1869100000e-01 -2.4619000000e-01  1.0784300000e-01 -6.7144200000e-01  2.8679660000e+00 -3.4992200000e-01 -5.5439000000e-01  1.9293860000e+00 -2.0295500000e-01 -1.4546360000e+00  3.0936320000e+00  1.5198800000e-01
-ENERGY -1.526618783742e+02
-FORCES  2.5903000000e-03 -3.5114000000e-03 -1.5854000000e-03  2.6174000000e-03  2.9209000000e-03  2.1304000000e-03 -4.6228000000e-03 -1.7200000000e-04 -7.3640000000e-04 -3.9110000000e-04 -8.0559000000e-03  2.6596000000e-03 -2.4541000000e-03  1.0027000000e-02 -8.3040000000e-04  2.2604000000e-03 -1.2085000000e-03 -1.6378000000e-03
-
-JOB 183
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3854000000e-02  7.8685000000e-02  9.5182100000e-01  9.1842600000e-01 -2.1567000000e-01 -1.6190000000e-01 -1.2168200000e-01  5.9266500000e-01  2.6219570000e+00 -9.4547800000e-01  6.2303400000e-01  3.1084430000e+00  2.9759600000e-01 -2.1805100000e-01  2.9103610000e+00
-ENERGY -1.526574501261e+02
-FORCES  3.1910000000e-04  5.7004000000e-03  1.4981100000e-02  2.9691000000e-03 -7.4509000000e-03 -7.0623000000e-03 -2.6561000000e-03  1.9880000000e-04  2.5736000000e-03 -2.8077000000e-03 -1.5395000000e-03 -2.1453000000e-03  5.0300000000e-03 -9.1080000000e-04 -2.1158000000e-03 -2.8545000000e-03  4.0021000000e-03 -6.2313000000e-03
-
-JOB 184
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5189000000e-02 -2.4201800000e-01  9.2575600000e-01 -5.7228000000e-02 -8.3480400000e-01 -4.6482200000e-01  2.5064720000e+00  1.1384860000e+00 -4.4666300000e-01  1.7465910000e+00  7.6118300000e-01 -3.4300000000e-03  2.1671760000e+00  1.4411460000e+00 -1.2889850000e+00
-ENERGY -1.526586456956e+02
-FORCES  1.6046000000e-03 -3.7627000000e-03 -1.1201000000e-03  3.1781000000e-03  2.2378000000e-03 -5.7284000000e-03  6.8000000000e-06  4.3814000000e-03  2.7533000000e-03 -1.5046300000e-02 -3.9085000000e-03 -1.2183000000e-03  7.7831000000e-03  1.6799000000e-03  4.0798000000e-03  2.4738000000e-03 -6.2780000000e-04  1.2336000000e-03
-
-JOB 185
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4724100000e-01  4.2913900000e-01 -1.1939500000e-01  2.2532500000e-01  1.6431900000e-01  9.1567500000e-01  2.2270940000e+00 -2.4446900000e-01 -1.8022270000e+00  2.5459970000e+00 -1.1198300000e+00 -1.5825090000e+00  1.3712460000e+00 -1.8720600000e-01 -1.3774000000e+00
-ENERGY -1.526613360253e+02
-FORCES  2.9910000000e-04  2.6945000000e-03  2.7932000000e-03  4.1557000000e-03 -1.7789000000e-03  1.3314000000e-03 -2.5928000000e-03 -8.3050000000e-04 -3.8620000000e-03 -7.9320000000e-03 -1.8295000000e-03  6.7935000000e-03 -6.8790000000e-04  2.6946000000e-03 -2.1220000000e-04  6.7580000000e-03 -9.5030000000e-04 -6.8440000000e-03
-
-JOB 186
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6923300000e-01  9.3922500000e-01  7.3807000000e-02  9.3928300000e-01 -6.1686000000e-02 -1.7370900000e-01 -2.0920630000e+00 -1.6466820000e+00 -2.6124700000e-01 -1.2944950000e+00 -1.1196160000e+00 -2.1310900000e-01 -1.9520580000e+00 -2.3520740000e+00  3.7045900000e-01
-ENERGY -1.526602218381e+02
-FORCES -4.9999000000e-03 -2.5718000000e-03 -1.6339000000e-03  2.8472000000e-03 -4.4466000000e-03 -5.9720000000e-04 -4.3925000000e-03  1.8264000000e-03  1.5261000000e-03  1.2761100000e-02  7.9005000000e-03  3.0119000000e-03 -6.8746000000e-03 -4.7894000000e-03 -5.9080000000e-04  6.5870000000e-04  2.0809000000e-03 -1.7161000000e-03
-
-JOB 187
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1333200000e-01 -9.0300400000e-01 -2.3516900000e-01 -3.7701100000e-01  1.1633700000e-01  8.7210100000e-01 -5.9393300000e-01 -7.9047500000e-01  2.7694740000e+00 -2.1803400000e-01 -1.6602390000e+00  2.6336680000e+00 -1.4451630000e+00 -9.5743800000e-01  3.1741490000e+00
-ENERGY -1.526592251597e+02
-FORCES -3.8234000000e-03 -3.9182000000e-03  8.8577000000e-03  1.2953000000e-03  2.0359000000e-03  4.4770000000e-04  1.4846000000e-03  2.3319000000e-03 -8.2670000000e-03 -1.1470000000e-04 -4.8311000000e-03  1.7430000000e-03 -2.9952000000e-03  3.9651000000e-03 -3.0000000000e-05  4.1534000000e-03  4.1630000000e-04 -2.7513000000e-03
-
-JOB 188
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3880000000e-02  9.2622000000e-01  2.4115600000e-01 -1.6942700000e-01 -1.8800000000e-04 -9.4208600000e-01  2.9768370000e+00 -3.0410800000e-01 -7.2572900000e-01  3.7826060000e+00 -8.1516600000e-01 -8.0180100000e-01  2.3109540000e+00 -8.4044000000e-01 -1.1560520000e+00
-ENERGY -1.526537377165e+02
-FORCES  1.5166000000e-03  5.9518000000e-03 -1.2703000000e-03 -1.7828000000e-03 -3.7528000000e-03 -9.3490000000e-04  2.3068000000e-03 -1.6574000000e-03  3.3882000000e-03 -2.1198000000e-03 -4.7376000000e-03 -3.2620000000e-04 -3.7507000000e-03  2.0460000000e-03  7.1610000000e-04  3.8299000000e-03  2.1500000000e-03 -1.5728000000e-03
-
-JOB 189
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8678100000e-01  4.5227000000e-01 -3.0440000000e-01 -1.8113000000e-02  1.0109600000e-01  9.5167400000e-01  1.0066740000e+00  2.4735670000e+00 -2.0415770000e+00  1.8032130000e+00  2.6146290000e+00 -2.5532990000e+00  1.3208090000e+00  2.2268380000e+00 -1.1717060000e+00
-ENERGY -1.526568300117e+02
-FORCES -5.4155000000e-03  6.0570000000e-04  1.4029000000e-03  3.5877000000e-03 -2.2282000000e-03  2.8051000000e-03  8.3600000000e-04  3.9530000000e-04 -4.3490000000e-03  4.7253000000e-03 -2.5575000000e-03  2.0047000000e-03 -2.9137000000e-03 -4.5170000000e-04  2.1313000000e-03 -8.1980000000e-04  4.2365000000e-03 -3.9949000000e-03
-
-JOB 190
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2227400000e-01 -4.6610300000e-01  1.5114700000e-01 -6.0793500000e-01 -6.7643200000e-01 -2.9847400000e-01 -3.3752300000e-01  7.4284400000e-01  2.6509200000e+00  3.3278000000e-01  1.9297300000e-01  3.0565900000e+00 -3.7208700000e-01  4.4728500000e-01  1.7411500000e+00
-ENERGY -1.526588621869e+02
-FORCES  1.6824000000e-03 -2.8002000000e-03  2.1400000000e-04 -5.5583000000e-03  2.2129000000e-03  1.5579000000e-03  3.5944000000e-03  3.5674000000e-03  3.2038000000e-03  2.4777000000e-03 -4.2783000000e-03 -1.3191300000e-02 -1.4358000000e-03  1.0938000000e-03 -2.5346000000e-03 -7.6050000000e-04  2.0450000000e-04  1.0750100000e-02
-
-JOB 191
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4764900000e-01 -2.7052300000e-01  5.3298300000e-01  2.2498000000e-01 -2.7822300000e-01 -8.8781100000e-01  1.9245000000e-02  1.5984810000e+00 -3.4187260000e+00  1.7906500000e-01  7.0326800000e-01 -3.1199260000e+00 -6.9487000000e-01  1.9126960000e+00 -2.8641620000e+00
-ENERGY -1.526530861498e+02
-FORCES  5.1361000000e-03 -2.4531000000e-03 -9.3600000000e-05 -3.4259000000e-03  9.7990000000e-04 -2.2904000000e-03 -1.8403000000e-03  1.8882000000e-03  1.6130000000e-03 -3.0088000000e-03 -1.2403000000e-03  3.8667000000e-03 -7.0000000000e-06  2.3818000000e-03  2.6340000000e-04  3.1459000000e-03 -1.5565000000e-03 -3.3591000000e-03
-
-JOB 192
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3429300000e-01  9.4773200000e-01  7.0200000000e-04  8.2300300000e-01 -1.2541600000e-01 -4.7240700000e-01  2.2166900000e+00  6.6846000000e-02 -1.7907840000e+00  2.9817410000e+00 -2.6041200000e-01 -1.3176760000e+00  2.3244310000e+00 -2.6690900000e-01 -2.6814190000e+00
-ENERGY -1.526604090620e+02
-FORCES  7.9515000000e-03  3.5129000000e-03 -8.5175000000e-03 -1.4890000000e-04 -2.6318000000e-03  5.6100000000e-04 -3.9339000000e-03 -1.4979000000e-03  8.3836000000e-03  5.1020000000e-04 -2.2698000000e-03 -3.1673000000e-03 -5.5723000000e-03  1.0960000000e-03 -1.6485000000e-03  1.1934000000e-03  1.7907000000e-03  4.3888000000e-03
-
-JOB 193
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1850300000e-01 -4.2958500000e-01  4.6415700000e-01  6.7007000000e-02  9.2061200000e-01  2.5340700000e-01  2.6392300000e-01  6.5541300000e-01  3.4306790000e+00  2.9695400000e-01  2.9020300000e-01  4.3148520000e+00 -5.2911900000e-01  2.8190700000e-01  3.0462200000e+00
-ENERGY -1.526577000001e+02
-FORCES  5.2085000000e-03  2.8194000000e-03  2.7512000000e-03 -3.7194000000e-03  7.1590000000e-04 -2.7503000000e-03 -1.5855000000e-03 -4.0253000000e-03 -1.6088000000e-03 -3.8307000000e-03 -2.8500000000e-03  3.0378000000e-03 -2.8950000000e-04  1.2191000000e-03 -3.8123000000e-03  4.2166000000e-03  2.1210000000e-03  2.3824000000e-03
-
-JOB 194
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7391500000e-01 -5.5090700000e-01  1.1742800000e-01 -3.5115200000e-01  8.7451800000e-01 -1.6775600000e-01  1.0861950000e+00  5.5041700000e-01 -3.2202130000e+00  4.3091100000e-01  1.2578900000e-01 -2.6665650000e+00  7.6287600000e-01  4.2677100000e-01 -4.1126300000e+00
-ENERGY -1.526563409935e+02
-FORCES -3.9886000000e-03  2.3216000000e-03  3.7429000000e-03  3.5803000000e-03  2.4814000000e-03 -1.7815000000e-03  1.0807000000e-03 -5.0533000000e-03 -3.5970000000e-04 -3.0423000000e-03 -3.3654000000e-03  3.6540000000e-04  1.4168000000e-03  3.2361000000e-03 -5.8365000000e-03  9.5310000000e-04  3.7970000000e-04  3.8693000000e-03
-
-JOB 195
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8600000000e-01 -1.2455400000e-01  9.3065700000e-01 -1.1577400000e-01 -8.6816400000e-01 -3.8616100000e-01 -3.8054100000e-01 -8.7248800000e-01  2.5439820000e+00 -5.0280600000e-01 -1.8143000000e+00  2.4245080000e+00 -1.2684950000e+00 -5.2256100000e-01  2.6169280000e+00
-ENERGY -1.526567639060e+02
-FORCES -5.0010000000e-04 -8.2003000000e-03  1.5494000000e-02 -4.2239000000e-03  4.9207000000e-03 -7.5914000000e-03 -1.1570000000e-04  1.8485000000e-03  1.4038000000e-03 -1.6028000000e-03 -2.9273000000e-03 -4.2117000000e-03  1.8300000000e-05  5.4558000000e-03 -5.5000000000e-04  6.4242000000e-03 -1.0974000000e-03 -4.5447000000e-03
-
-JOB 196
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4244000000e-01  6.6234500000e-01 -2.5456300000e-01  1.2763500000e-01  1.3771700000e-01  9.3860300000e-01  2.3411530000e+00 -1.7805600000e-01 -1.7359820000e+00  2.3851480000e+00 -1.1341880000e+00 -1.7463370000e+00  1.5548410000e+00  2.0511000000e-02 -1.2275360000e+00
-ENERGY -1.526617077389e+02
-FORCES -1.6522000000e-03  2.3580000000e-03  3.6238000000e-03  4.0278000000e-03 -3.0165000000e-03  1.4454000000e-03 -1.5182000000e-03 -3.7370000000e-04 -4.6443000000e-03 -8.7097000000e-03 -2.7439000000e-03  6.3877000000e-03  5.4890000000e-04  2.6492000000e-03 -1.1310000000e-04  7.3034000000e-03  1.1270000000e-03 -6.6994000000e-03
-
-JOB 197
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7540400000e-01  1.1900000000e-02  3.8698500000e-01  2.8363600000e-01 -9.1104500000e-01  7.6029000000e-02 -2.7790140000e+00  9.5817800000e-01 -1.9159480000e+00 -3.7323070000e+00  1.0438520000e+00 -1.9048050000e+00 -2.4620390000e+00  1.7465650000e+00 -1.4752620000e+00
-ENERGY -1.526547472384e+02
-FORCES -3.6455000000e-03 -4.6364000000e-03  1.3460000000e-04  4.3897000000e-03  9.2800000000e-04  1.2930000000e-04 -8.1340000000e-04  3.5324000000e-03  1.5930000000e-04 -1.7003000000e-03  4.6483000000e-03  2.9200000000e-04  4.2524000000e-03 -7.7460000000e-04  3.3440000000e-04 -2.4829000000e-03 -3.6977000000e-03 -1.0495000000e-03
-
-JOB 198
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5811300000e-01  5.3745700000e-01 -4.4074900000e-01 -6.3517000000e-02  2.5060400000e-01  9.2162600000e-01 -2.1359570000e+00  1.6107670000e+00 -4.4903200000e-01 -2.9088390000e+00  1.2019630000e+00 -5.9462000000e-02 -2.3603040000e+00  1.7157410000e+00 -1.3736290000e+00
-ENERGY -1.526585399805e+02
-FORCES -1.2969700000e-02  1.2024800000e-02  5.0770000000e-04  6.1140000000e-03 -5.3224000000e-03 -3.1874000000e-03  4.7620000000e-04 -1.9651000000e-03 -1.4487000000e-03 -2.1090000000e-04 -4.7317000000e-03  1.2884000000e-03  3.9593000000e-03  2.5722000000e-03 -2.2890000000e-03  2.6311000000e-03 -2.5779000000e-03  5.1290000000e-03
-
-JOB 199
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2848900000e-01  4.6015900000e-01 -1.3450300000e-01  9.1621000000e-02 -4.1321900000e-01  8.5853800000e-01 -2.2819870000e+00  1.8795250000e+00 -2.4803100000e-01 -1.5511920000e+00  1.5945800000e+00  3.0058300000e-01 -2.0169710000e+00  1.6503510000e+00 -1.1388040000e+00
-ENERGY -1.526582212519e+02
-FORCES  3.7395000000e-03 -2.3449000000e-03  1.7932000000e-03 -5.1681000000e-03 -1.2570000000e-03  8.4040000000e-04 -7.2500000000e-04  3.4709000000e-03 -3.9062000000e-03  8.6073000000e-03 -8.1193000000e-03 -1.8761000000e-03 -4.2709000000e-03  5.4182000000e-03  1.8696000000e-03 -2.1828000000e-03  2.8321000000e-03  1.2792000000e-03
-
-JOB 200
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9707500000e-01 -7.6243400000e-01  4.2102100000e-01  6.1554700000e-01  7.1385300000e-01  1.6657600000e-01 -5.7044900000e-01  2.3193700000e-01 -2.6918400000e+00  2.1442500000e-01  7.2782500000e-01 -2.9248660000e+00 -4.1629000000e-01 -5.1875000000e-02 -1.7907750000e+00
-ENERGY -1.526595226827e+02
-FORCES  2.4986000000e-03  1.5859000000e-03 -1.0235000000e-03 -1.4656000000e-03  4.4525000000e-03 -2.7101000000e-03 -2.3401000000e-03 -4.4766000000e-03 -1.4333000000e-03  4.6703000000e-03 -7.2650000000e-04  1.3478800000e-02 -1.9192000000e-03 -8.9720000000e-04  1.2799000000e-03 -1.4440000000e-03  6.1800000000e-05 -9.5918000000e-03
-
-JOB 201
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0856000000e-02 -8.8079700000e-01 -3.6976300000e-01 -2.5008600000e-01 -1.3988400000e-01  9.1330200000e-01  2.3551050000e+00  1.1481720000e+00 -6.5061000000e-01  1.5521070000e+00  6.9331900000e-01 -3.9657300000e-01  2.3657720000e+00  1.1004720000e+00 -1.6065610000e+00
-ENERGY -1.526595411608e+02
-FORCES  3.7585000000e-03  1.5000000000e-06  1.8352000000e-03  1.3944000000e-03  5.7141000000e-03  1.8510000000e-03  1.2288000000e-03 -4.0690000000e-04 -5.2817000000e-03 -1.5131900000e-02 -5.3726000000e-03  2.4484000000e-03  9.7053000000e-03  1.2827000000e-03 -3.6328000000e-03 -9.5520000000e-04 -1.2188000000e-03  2.7800000000e-03
-
-JOB 202
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1606800000e-01  3.9066100000e-01 -3.1248800000e-01  2.0164000000e-02  2.0229500000e-01  9.3536200000e-01 -4.9163600000e-01  5.6871500000e-01  2.6686390000e+00 -1.0409100000e-01  1.3769640000e+00  3.0044570000e+00 -1.4354410000e+00  7.2610000000e-01  2.6949780000e+00
-ENERGY -1.526595007519e+02
-FORCES -4.2907000000e-03  3.7309000000e-03  1.3543800000e-02  1.6967000000e-03 -9.9550000000e-04  1.2158000000e-03  2.5963000000e-03 -8.6890000000e-04 -9.5096000000e-03 -2.6368000000e-03  2.0794000000e-03 -1.5006000000e-03 -2.5563000000e-03 -4.1302000000e-03 -2.8283000000e-03  5.1907000000e-03  1.8430000000e-04 -9.2110000000e-04
-
-JOB 203
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5095600000e-01  8.9294100000e-01 -2.3645100000e-01  8.2283300000e-01 -1.4932300000e-01 -4.6570500000e-01  2.4502890000e+00 -2.9970400000e-01 -1.6637130000e+00  2.5112140000e+00 -6.8256800000e-01 -2.5388900000e+00  3.2450810000e+00 -5.9248200000e-01 -1.2178230000e+00
-ENERGY -1.526618366698e+02
-FORCES  6.9323000000e-03  1.9695000000e-03 -6.3181000000e-03  3.6230000000e-04 -2.6561000000e-03  7.6820000000e-04 -7.2571000000e-03  7.0380000000e-04  6.7811000000e-03  2.8961000000e-03 -2.9386000000e-03 -2.8082000000e-03  1.0962000000e-03  1.8339000000e-03  4.1190000000e-03 -4.0298000000e-03  1.0875000000e-03 -2.5420000000e-03
-
-JOB 204
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0173100000e-01  6.1015700000e-01  4.2645000000e-01  1.6807200000e-01 -8.4030300000e-01  4.2646700000e-01  2.1262590000e+00  1.4444980000e+00  1.0324780000e+00  2.8111860000e+00  1.0702980000e+00  4.7832900000e-01  2.1733590000e+00  2.3864820000e+00  8.6913800000e-01
-ENERGY -1.526609002704e+02
-FORCES  1.0113300000e-02  5.8044000000e-03  8.0194000000e-03 -7.3696000000e-03 -4.9392000000e-03 -5.1057000000e-03  4.1720000000e-04  2.3142000000e-03 -1.6342000000e-03  1.0445000000e-03 -7.7000000000e-06 -4.3350000000e-03 -3.9776000000e-03  2.1234000000e-03  3.0395000000e-03 -2.2780000000e-04 -5.2952000000e-03  1.6000000000e-05
-
-JOB 205
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1684500000e-01 -4.9526900000e-01  3.9632400000e-01  9.4092000000e-02 -1.5243000000e-01 -9.4028900000e-01  3.7995600000e-01  2.5805210000e+00  8.4991800000e-01  5.7841900000e-01  1.6995000000e+00  5.3267100000e-01  2.4670900000e-01  2.4721590000e+00  1.7915840000e+00
-ENERGY -1.526572714934e+02
-FORCES -1.9610000000e-04  1.1620000000e-04 -2.3700000000e-03 -3.0252000000e-03  6.4075000000e-03 -1.4106000000e-03  4.3720000000e-04  1.0141000000e-03  5.5601000000e-03 -4.2333000000e-03 -1.4224600000e-02 -2.2612000000e-03  5.9927000000e-03  6.9164000000e-03  3.1564000000e-03  1.0247000000e-03 -2.2960000000e-04 -2.6747000000e-03
-
-JOB 206
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7129000000e-02  9.0307100000e-01 -3.1213900000e-01  8.5015500000e-01 -3.0884100000e-01 -3.1318700000e-01 -8.5761300000e-01  2.5583520000e+00 -5.2536800000e-01 -1.7404380000e+00  2.8716020000e+00 -3.2857800000e-01 -2.8021400000e-01  3.2521180000e+00 -2.0673000000e-01
-ENERGY -1.526598953431e+02
-FORCES -3.2099000000e-03  1.0008800000e-02 -3.4089000000e-03  6.5768000000e-03 -8.0035000000e-03  1.4959000000e-03 -2.5418000000e-03  3.1892000000e-03  6.3660000000e-04 -3.0796000000e-03 -1.9198000000e-03  3.7398000000e-03  4.7007000000e-03  9.2110000000e-04 -9.4800000000e-04 -2.4463000000e-03 -4.1958000000e-03 -1.5155000000e-03
-
-JOB 207
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7497000000e-02 -9.3100300000e-01  2.1484900000e-01 -6.9047800000e-01  3.3597900000e-01  5.7148000000e-01 -2.5993460000e+00 -1.7662900000e+00 -1.7261120000e+00 -2.6983510000e+00 -8.1424700000e-01 -1.7326510000e+00 -1.8296550000e+00 -1.9312760000e+00 -2.2707100000e+00
-ENERGY -1.526563112469e+02
-FORCES -2.9962000000e-03 -3.5039000000e-03  4.2513000000e-03  8.5050000000e-04  4.1643000000e-03 -1.0821000000e-03  2.7152000000e-03 -6.8900000000e-04 -2.7605000000e-03  3.8646000000e-03  4.5673000000e-03 -2.9111000000e-03 -1.0699000000e-03 -4.0479000000e-03  3.1790000000e-04 -3.3642000000e-03 -4.9090000000e-04  2.1844000000e-03
-
-JOB 208
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4676100000e-01  8.8675700000e-01  3.2917300000e-01  2.9090100000e-01  3.1123000000e-02 -9.1139400000e-01  3.7550900000e-01  2.6493540000e+00  5.4790700000e-01 -3.3906000000e-01  3.0935670000e+00  9.1511000000e-02  1.9818100000e-01  2.8007920000e+00  1.4762680000e+00
-ENERGY -1.526599446492e+02
-FORCES  4.7447000000e-03  1.5952700000e-02  6.3920000000e-04 -3.1833000000e-03 -9.4927000000e-03  6.8100000000e-04 -1.4837000000e-03  1.3720000000e-04  2.0300000000e-03 -3.9812000000e-03 -1.2546000000e-03 -3.6360000000e-04  3.8819000000e-03 -2.8554000000e-03  2.7038000000e-03  2.1500000000e-05 -2.4872000000e-03 -5.6902000000e-03
-
-JOB 209
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8229000000e-02  8.9104100000e-01  3.4854200000e-01  1.8732100000e-01  1.1265600000e-01 -9.3190700000e-01  1.5973100000e-01  2.7624360000e+00  6.5470900000e-01 -6.7041600000e-01  3.1340950000e+00  3.5645400000e-01  2.1421400000e-01  3.0073420000e+00  1.5784430000e+00
-ENERGY -1.526609314621e+02
-FORCES  2.8543000000e-03  1.2616300000e-02  3.3750000000e-04 -3.0566000000e-03 -9.6920000000e-03 -1.4407000000e-03 -1.2258000000e-03 -4.4250000000e-04  2.3337000000e-03 -1.7782000000e-03  2.3158000000e-03  2.1226000000e-03  4.3800000000e-03 -3.2681000000e-03  1.6707000000e-03 -1.1738000000e-03 -1.5294000000e-03 -5.0237000000e-03
-
-JOB 210
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1220400000e-01  6.6039000000e-02  5.0219100000e-01  6.0401100000e-01  5.9752000000e-01  4.4087700000e-01 -2.3757170000e+00 -1.9995100000e-01  1.4792640000e+00 -3.0975340000e+00  2.9377400000e-01  1.0901000000e+00 -2.4174870000e+00  9.2250000000e-03  2.4123940000e+00
-ENERGY -1.526606414601e+02
-FORCES -8.9347000000e-03  1.1640000000e-04  8.0057000000e-03  8.2487000000e-03  2.5846000000e-03 -6.6324000000e-03 -2.5513000000e-03 -1.7185000000e-03 -4.4530000000e-04 -1.2041000000e-03  1.2325000000e-03  1.6852000000e-03  4.6624000000e-03 -1.9688000000e-03  2.4194000000e-03 -2.2100000000e-04 -2.4610000000e-04 -5.0325000000e-03
-
-JOB 211
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0745600000e-01 -6.2462800000e-01  3.9632000000e-01 -2.2651400000e-01 -3.8861900000e-01 -8.4492500000e-01  5.4866100000e-01  2.8650120000e+00  3.5951100000e-01  3.4280500000e-01  1.9796110000e+00  5.9647000000e-02  3.1489400000e-01  2.8644460000e+00  1.2877270000e+00
-ENERGY -1.526613968833e+02
-FORCES  2.1966000000e-03 -3.9250000000e-03 -8.8230000000e-04 -3.4800000000e-03  2.2548000000e-03 -2.2586000000e-03  1.7173000000e-03  1.7840000000e-03  4.2253000000e-03 -3.2824000000e-03 -1.0061300000e-02  1.5790000000e-03  1.6026000000e-03  9.4596000000e-03 -3.3640000000e-04  1.2458000000e-03  4.8790000000e-04 -2.3270000000e-03
-
-JOB 212
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1793500000e-01 -7.2735400000e-01 -7.3109000000e-02 -2.6554500000e-01  6.1054700000e-01 -6.8771300000e-01 -2.1216990000e+00 -2.2783100000e+00 -2.4294200000e-01 -2.1122900000e+00 -3.2340300000e+00 -1.9057000000e-01 -2.9129550000e+00 -2.0198450000e+00  2.2965000000e-01
-ENERGY -1.526612904731e+02
-FORCES -5.3150000000e-03 -4.2868000000e-03 -3.4396000000e-03  5.6014000000e-03  8.0054000000e-03  1.3222000000e-03  6.8010000000e-04 -1.7132000000e-03  2.4466000000e-03 -3.4545000000e-03 -4.8969000000e-03  2.0520000000e-03 -1.3690000000e-03  4.2120000000e-03 -8.9000000000e-06  3.8570000000e-03 -1.3205000000e-03 -2.3723000000e-03
-
-JOB 213
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1553600000e-01 -2.7637200000e-01  4.0548000000e-02 -4.3902100000e-01 -6.9508800000e-01 -4.9025000000e-01 -8.4109000000e-02  1.0946530000e+00  2.8051710000e+00  6.5633700000e-01  5.5965700000e-01  3.0910910000e+00 -2.7362100000e-01  7.8787100000e-01  1.9184910000e+00
-ENERGY -1.526600808036e+02
-FORCES  1.5527000000e-03 -4.0876000000e-03 -3.4654000000e-03 -4.8666000000e-03  9.0670000000e-04  1.0993000000e-03  3.0330000000e-03  2.9916000000e-03  1.9813000000e-03  8.3040000000e-04 -4.8131000000e-03 -7.3633000000e-03 -1.7536000000e-03  1.6785000000e-03 -1.1834000000e-03  1.2041000000e-03  3.3238000000e-03  8.9315000000e-03
-
-JOB 214
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8369000000e-01  2.2695600000e-01 -5.0055300000e-01  3.0126700000e-01 -5.1898000000e-02  9.0707000000e-01 -1.4575030000e+00 -2.0390980000e+00 -1.1450700000e+00 -2.2345660000e+00 -1.5415130000e+00 -1.3996570000e+00 -8.2033500000e-01 -1.3733080000e+00 -8.8628200000e-01
-ENERGY -1.526604050879e+02
-FORCES  4.1010000000e-04 -2.6975000000e-03  2.6368000000e-03 -4.6721000000e-03 -2.7967000000e-03  2.3315000000e-03 -2.7690000000e-04  1.4421000000e-03 -4.9633000000e-03  4.8639000000e-03  1.2165000000e-02  6.0466000000e-03  2.0908000000e-03 -1.3883000000e-03  5.3150000000e-04 -2.4158000000e-03 -6.7248000000e-03 -6.5831000000e-03
-
-JOB 215
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5966800000e-01 -9.2494300000e-01 -1.8766400000e-01 -2.7261100000e-01  1.5157000000e-02  9.1743400000e-01  2.6594030000e+00  9.3864500000e-01 -1.4859000000e-02  2.4875280000e+00  1.1828810000e+00 -9.2427700000e-01  1.8601290000e+00  4.9550900000e-01  2.6978600000e-01
-ENERGY -1.526585786620e+02
-FORCES -1.5136000000e-03 -2.1985000000e-03  1.0808000000e-03  1.3245000000e-03  6.0568000000e-03  1.7354000000e-03  4.2661000000e-03 -1.9400000000e-04 -4.9201000000e-03 -1.4408500000e-02 -2.1864000000e-03 -3.6044000000e-03  2.3843000000e-03 -6.1020000000e-04  1.8654000000e-03  7.9473000000e-03 -8.6770000000e-04  3.8429000000e-03
-
-JOB 216
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9501500000e-01  3.1130400000e-01  1.3516600000e-01  5.5016800000e-01  6.6217100000e-01  4.1842100000e-01  8.3819200000e-01  2.0065250000e+00  1.5938440000e+00  1.6534060000e+00  2.3601170000e+00  1.2379920000e+00  1.0683080000e+00  1.7137600000e+00  2.4756420000e+00
-ENERGY -1.526583679297e+02
-FORCES  1.6408000000e-03  1.4519000000e-02  1.1106400000e-02  1.3289000000e-03 -2.0880000000e-03 -8.7000000000e-04  2.6891000000e-03 -5.2782000000e-03 -6.4658000000e-03 -1.6510000000e-04 -4.0700000000e-03  6.5490000000e-04 -4.8417000000e-03 -5.0266000000e-03  6.6730000000e-04 -6.5200000000e-04  1.9438000000e-03 -5.0927000000e-03
-
-JOB 217
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7349200000e-01 -5.8415900000e-01  5.9228000000e-01  1.0191900000e-01 -3.9984800000e-01 -8.6369300000e-01  2.6894500000e-01  2.7092680000e+00  3.8794600000e-01  6.4769000000e-02  1.8516930000e+00  1.4971000000e-02 -6.9938000000e-02  2.6688730000e+00  1.2822380000e+00
-ENERGY -1.526594284308e+02
-FORCES  4.2992000000e-03  1.8154000000e-03  2.1168000000e-03 -2.8856000000e-03  1.3866000000e-03 -3.5410000000e-03  1.1670000000e-04  2.5888000000e-03  4.5508000000e-03 -2.9546000000e-03 -1.4573800000e-02  7.7600000000e-04 -8.9100000000e-05  8.3021000000e-03 -2.1259000000e-03  1.5134000000e-03  4.8100000000e-04 -1.7766000000e-03
-
-JOB 218
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1494400000e-01 -6.3644700000e-01  4.8000000000e-03 -3.7334000000e-01  7.7718600000e-01 -4.1572900000e-01  1.6518930000e+00  2.7703560000e+00  8.8873200000e-01  2.3444340000e+00  2.2277380000e+00  1.2658040000e+00  1.7588410000e+00  2.6726880000e+00 -5.7447000000e-02
-ENERGY -1.526546839198e+02
-FORCES -5.0192000000e-03  1.7832000000e-03 -4.7950000000e-04  2.9979000000e-03  2.7520000000e-03  2.1760000000e-04  1.8610000000e-03 -3.9284000000e-03 -2.3610000000e-04  3.5421000000e-03 -5.3036000000e-03 -1.4991000000e-03 -1.7563000000e-03  3.5808000000e-03 -1.2096000000e-03 -1.6255000000e-03  1.1160000000e-03  3.2066000000e-03
-
-JOB 219
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4761000000e-02  8.4705600000e-01  4.4106000000e-01  1.8525500000e-01  1.9317400000e-01 -9.1901900000e-01  7.0086200000e-01  2.6909140000e+00  5.7151100000e-01  8.8619000000e-02  3.2822220000e+00  1.3362400000e-01  5.2505300000e-01  2.8114390000e+00  1.5046760000e+00
-ENERGY -1.526587792226e+02
-FORCES  5.3582000000e-03  1.3254300000e-02 -9.7510000000e-04 -4.4921000000e-03 -7.5443000000e-03  2.3919000000e-03 -1.4998000000e-03 -1.5735000000e-03  1.6557000000e-03 -1.7892000000e-03  2.8658000000e-03  4.8000000000e-04  2.9630000000e-03 -3.9987000000e-03  2.2350000000e-03 -5.4010000000e-04 -3.0036000000e-03 -5.7875000000e-03
-
-JOB 220
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1744000000e-02 -8.4645100000e-01 -4.4498200000e-01 -1.9735000000e-01 -1.9992500000e-01  9.1504900000e-01 -5.2211800000e-01 -3.0117400000e-01  2.5946350000e+00 -1.4083220000e+00 -7.3493000000e-02  2.8757690000e+00 -4.9672600000e-01 -1.2573110000e+00  2.6319160000e+00
-ENERGY -1.526574574320e+02
-FORCES -3.3959000000e-03 -1.5680000000e-03  1.6544400000e-02 -4.5000000000e-04  1.5476000000e-03  4.0710000000e-03  1.8936000000e-03 -4.0759000000e-03 -1.0255900000e-02 -2.5802000000e-03  4.7960000000e-04 -4.4421000000e-03  4.9466000000e-03 -2.4632000000e-03 -1.3821000000e-03 -4.1410000000e-04  6.0800000000e-03 -4.5353000000e-03
-
-JOB 221
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3646800000e-01  4.9163800000e-01 -5.1906900000e-01  3.2997300000e-01  5.2609000000e-02  8.9698500000e-01 -1.8794240000e+00 -1.8184770000e+00 -9.5254600000e-01 -2.7109100000e+00 -1.4027840000e+00 -1.1807170000e+00 -1.3123770000e+00 -1.0931310000e+00 -6.9070100000e-01
-ENERGY -1.526613758307e+02
-FORCES  8.1670000000e-04 -2.0464000000e-03  7.5220000000e-04 -2.6110000000e-03 -1.8361000000e-03  3.5374000000e-03 -1.3270000000e-04  1.1940000000e-03 -4.7066000000e-03  5.9810000000e-03  8.4623000000e-03  3.6767000000e-03  3.0956000000e-03 -2.9250000000e-04  8.8940000000e-04 -7.1495000000e-03 -5.4813000000e-03 -4.1492000000e-03
-
-JOB 222
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0338300000e-01 -1.6953400000e-01  2.6718900000e-01 -6.1455000000e-02  2.1598700000e-01 -9.3048600000e-01 -2.6759710000e+00 -8.8925200000e-01  3.1959100000e-01 -2.7099380000e+00 -1.6476960000e+00 -2.6336700000e-01 -2.6811260000e+00 -1.2633440000e+00  1.2006470000e+00
-ENERGY -1.526604234435e+02
-FORCES -1.3126400000e-02 -1.7543000000e-03 -1.6207000000e-03  9.7722000000e-03  1.8477000000e-03  1.7002000000e-03  4.8910000000e-04 -1.2610000000e-03  2.2920000000e-03  9.4430000000e-04 -5.2967000000e-03 -3.6800000000e-04  1.1820000000e-04  4.0037000000e-03  3.1002000000e-03  1.8026000000e-03  2.4606000000e-03 -5.1037000000e-03
-
-JOB 223
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4133100000e-01 -4.1586800000e-01  4.4013100000e-01  7.5398000000e-02 -2.7898800000e-01 -9.1253100000e-01 -1.4576320000e+00 -2.7101580000e+00 -7.9664200000e-01 -2.2259240000e+00 -3.2787750000e+00 -7.4532300000e-01 -1.7844840000e+00 -1.8998090000e+00 -1.1874550000e+00
-ENERGY -1.526543939023e+02
-FORCES  3.9015000000e-03 -6.2185000000e-03 -6.7740000000e-04 -2.0566000000e-03  3.1835000000e-03 -1.5057000000e-03 -2.4700000000e-03  1.8826000000e-03  2.6734000000e-03 -5.1023000000e-03  2.3825000000e-03  3.4670000000e-04  3.1792000000e-03  2.5260000000e-03  1.2280000000e-04  2.5482000000e-03 -3.7561000000e-03 -9.5990000000e-04
-
-JOB 224
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9072900000e-01 -5.1522900000e-01  4.1673100000e-01  2.7378000000e-02 -2.6180300000e-01 -9.2029400000e-01  1.9483750000e+00 -1.8036750000e+00  7.9763500000e-01  2.6692690000e+00 -1.2868160000e+00  4.3791200000e-01  2.1317500000e+00 -1.8508590000e+00  1.7359200000e+00
-ENERGY -1.526592855082e+02
-FORCES  8.6349000000e-03 -1.2232800000e-02  2.0703000000e-03 -3.2844000000e-03  9.3325000000e-03 -2.1969000000e-03  6.2660000000e-04  1.3814000000e-03  2.2983000000e-03  1.7473000000e-03  1.0787000000e-03  1.4690000000e-03 -6.6151000000e-03 -1.0808000000e-03  1.8218000000e-03 -1.1093000000e-03  1.5209000000e-03 -5.4625000000e-03
-
-JOB 225
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8500000000e-02  9.0977800000e-01  2.9504900000e-01 -2.1251600000e-01  4.0901000000e-02 -9.3241400000e-01  4.4540000000e-02  2.6651700000e+00  6.8160700000e-01 -8.3670100000e-01  3.0279580000e+00  5.9199600000e-01  3.1054200000e-01  2.8978420000e+00  1.5711790000e+00
-ENERGY -1.526605838890e+02
-FORCES  1.1425000000e-03  1.4661500000e-02  1.1514000000e-03 -2.2596000000e-03 -1.0052800000e-02 -1.9646000000e-03 -1.3490000000e-04  6.3680000000e-04  2.7412000000e-03 -1.0702000000e-03 -1.2143000000e-03  2.3372000000e-03  4.7510000000e-03 -3.0409000000e-03  4.7680000000e-04 -2.4288000000e-03 -9.9020000000e-04 -4.7420000000e-03
-
-JOB 226
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1445900000e-01  6.3087500000e-01 -8.8189000000e-02  4.3050700000e-01 -8.1603200000e-01  2.5492500000e-01 -5.4049000000e-01 -2.7633100000e-01 -2.7561720000e+00  9.7800000000e-02  3.7789000000e-01 -3.0404470000e+00 -3.7476800000e-01 -3.8208600000e-01 -1.8193770000e+00
-ENERGY -1.526585270799e+02
-FORCES  3.9137000000e-03  1.2287000000e-03  1.0244000000e-03 -3.7281000000e-03 -4.1342000000e-03 -1.4392000000e-03 -2.6095000000e-03  4.4775000000e-03 -4.0487000000e-03  2.9263000000e-03  3.5597000000e-03  1.2770300000e-02 -1.3294000000e-03 -1.7417000000e-03  1.4705000000e-03  8.2690000000e-04 -3.3900000000e-03 -9.7773000000e-03
-
-JOB 227
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2005600000e-01  9.2319400000e-01 -1.2457900000e-01  8.4380000000e-01 -1.0694700000e-01 -4.3908600000e-01 -3.3543500000e-01 -2.9963300000e-01  2.6302380000e+00 -3.4995400000e-01  6.2493600000e-01  2.8776080000e+00 -1.7580600000e-01 -2.9307500000e-01  1.6864650000e+00
-ENERGY -1.526583779958e+02
-FORCES  1.3022000000e-03  1.6059000000e-03  5.6927000000e-03  2.2417000000e-03 -4.8472000000e-03  2.1486000000e-03 -4.7124000000e-03  1.7656000000e-03  2.2475000000e-03  2.8230000000e-03  3.0324000000e-03 -1.7389600000e-02 -7.8200000000e-05 -1.8890000000e-03 -2.0540000000e-03 -1.5764000000e-03  3.3230000000e-04  9.3548000000e-03
-
-JOB 228
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6787200000e-01  6.3732100000e-01  2.5298200000e-01  3.3444400000e-01 -8.3788900000e-01  3.1987600000e-01  1.9966810000e+00  1.7488480000e+00  5.8450700000e-01  2.8742200000e+00  1.5384380000e+00  2.6531200000e-01  1.8656010000e+00  2.6649440000e+00  3.3992900000e-01
-ENERGY -1.526604581239e+02
-FORCES  1.2048200000e-02  8.1875000000e-03  4.7998000000e-03 -7.6825000000e-03 -5.7443000000e-03 -2.0727000000e-03  2.1160000000e-04  2.5737000000e-03 -1.0791000000e-03 -1.9522000000e-03 -1.9102000000e-03 -4.2118000000e-03 -4.2261000000e-03  1.8477000000e-03  1.7649000000e-03  1.6010000000e-03 -4.9544000000e-03  7.9890000000e-04
-
-JOB 229
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3652400000e-01  1.5931400000e-01  1.1736000000e-01  4.2072000000e-01  5.3615900000e-01  6.7213100000e-01 -2.0853670000e+00  4.7226800000e-01 -2.9844460000e+00 -2.7579400000e+00 -1.2675600000e-01 -2.6603360000e+00 -2.3993520000e+00  7.4117300000e-01 -3.8477740000e+00
-ENERGY -1.526532559974e+02
-FORCES -2.6249000000e-03  3.8083000000e-03  1.8074000000e-03  3.4998000000e-03 -1.6576000000e-03  8.7640000000e-04 -1.5198000000e-03 -2.2451000000e-03 -2.6823000000e-03 -3.4649000000e-03 -1.7671000000e-03 -3.2422000000e-03  2.7537000000e-03  2.9678000000e-03 -4.1530000000e-04  1.3562000000e-03 -1.1062000000e-03  3.6560000000e-03
-
-JOB 230
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2087300000e-01  4.7324500000e-01 -1.3578800000e-01 -1.5655000000e-02 -1.8904800000e-01  9.3821500000e-01 -1.4738920000e+00 -1.5462690000e+00 -1.7846880000e+00 -2.3755130000e+00 -1.3778390000e+00 -1.5109330000e+00 -9.4309500000e-01 -9.8118300000e-01 -1.2232930000e+00
-ENERGY -1.526612153393e+02
-FORCES  8.3530000000e-04 -2.1230000000e-03 -1.1750000000e-04 -3.7420000000e-03 -2.2955000000e-03  2.2061000000e-03  8.0750000000e-04  2.0285000000e-03 -4.3048000000e-03  4.5704000000e-03  7.9901000000e-03  8.3604000000e-03  2.6716000000e-03 -5.4950000000e-04 -9.2000000000e-06 -5.1427000000e-03 -5.0506000000e-03 -6.1350000000e-03
-
-JOB 231
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9591100000e-01  4.8564600000e-01 -4.4281800000e-01 -1.4609800000e-01  1.6669900000e-01  9.3118100000e-01 -3.4242800000e-01 -2.5599810000e+00 -6.4700600000e-01 -1.2585400000e-01 -1.6775170000e+00 -3.4603400000e-01 -2.0871600000e-01 -2.5300100000e+00 -1.5943470000e+00
-ENERGY -1.526593562706e+02
-FORCES -5.0398000000e-03 -5.5601000000e-03 -9.4980000000e-04  3.8230000000e-03 -2.5387000000e-03  2.6587000000e-03 -7.4500000000e-05 -1.4347000000e-03 -5.5510000000e-03  4.2016000000e-03  1.7932400000e-02  2.4484000000e-03 -1.9311000000e-03 -9.5066000000e-03 -1.0111000000e-03 -9.7930000000e-04  1.1078000000e-03  2.4049000000e-03
-
-JOB 232
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3240500000e-01 -2.8509600000e-01 -3.7690100000e-01 -6.6399000000e-01 -4.8465300000e-01 -4.9036800000e-01 -1.0940000000e-02  9.2362900000e-01  2.5285470000e+00  7.4316000000e-01  4.6290700000e-01  2.8963810000e+00 -1.0228000000e-01  5.6722000000e-01  1.6448840000e+00
-ENERGY -1.526595372552e+02
-FORCES  8.2180000000e-04  5.4430000000e-04  4.7113000000e-03 -4.8043000000e-03  2.9200000000e-04  1.4069000000e-03  4.5101000000e-03  1.9976000000e-03  1.6667000000e-03  1.3014000000e-03 -6.8357000000e-03 -1.4015100000e-02 -1.4639000000e-03  1.0879000000e-03 -1.8117000000e-03 -3.6500000000e-04  2.9140000000e-03  8.0418000000e-03
-
-JOB 233
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5945100000e-01  5.7863500000e-01 -6.8173000000e-02  3.4520400000e-01 -8.0445200000e-01  3.8720000000e-01  1.3710190000e+00 -1.8832830000e+00  1.5094030000e+00  1.3262170000e+00 -2.6924520000e+00  1.0000220000e+00  1.1710060000e+00 -2.1526570000e+00  2.4058770000e+00
-ENERGY -1.526595058931e+02
-FORCES  9.4518000000e-03 -6.7285000000e-03  8.6736000000e-03 -2.4091000000e-03 -9.1650000000e-04 -4.0110000000e-04 -4.6649000000e-03  1.6223000000e-03 -7.8396000000e-03 -2.3153000000e-03 -1.4010000000e-04  2.5433000000e-03 -1.8216000000e-03  6.1106000000e-03  1.8049000000e-03  1.7591000000e-03  5.2200000000e-05 -4.7811000000e-03
-
-JOB 234
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6576700000e-01  9.1181900000e-01  1.1910700000e-01  8.9253600000e-01  5.2861000000e-02 -3.4178600000e-01 -2.6778300000e-01 -6.0728400000e-01  2.4715480000e+00 -3.6636300000e-01  3.2802100000e-01  2.6496460000e+00 -4.3122000000e-02 -6.5224100000e-01  1.5421730000e+00
-ENERGY -1.526536710786e+02
-FORCES -1.2973000000e-03  1.1484000000e-03  1.3612700000e-02  2.6007000000e-03 -4.7814000000e-03  8.7830000000e-04 -4.9849000000e-03 -1.6390000000e-04  4.0315000000e-03  2.5484000000e-03  7.1412000000e-03 -2.3833600000e-02 -1.1310000000e-04 -1.0982000000e-03 -1.2881000000e-03  1.2461000000e-03 -2.2461000000e-03  6.5992000000e-03
-
-JOB 235
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5655800000e-01 -5.5884000000e-01  6.9050400000e-01  5.7596200000e-01  7.6444100000e-01 -1.1411000000e-02 -2.4460690000e+00  8.5247800000e-01  2.6330400000e-01 -2.8258910000e+00  8.3723300000e-01 -6.1518100000e-01 -1.5301460000e+00  6.0681600000e-01  1.3304900000e-01
-ENERGY -1.526586484034e+02
-FORCES -8.5621000000e-03  2.1388000000e-03  4.4454000000e-03 -4.3290000000e-04  3.9988000000e-03 -3.8813000000e-03 -4.8053000000e-03 -4.0248000000e-03  8.2080000000e-04  1.8426000000e-02 -8.3031000000e-03 -3.4972000000e-03  2.6181000000e-03 -9.9400000000e-05  1.8369000000e-03 -7.2439000000e-03  6.2897000000e-03  2.7540000000e-04
-
-JOB 236
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9715000000e-01  4.8111000000e-01 -4.4581100000e-01 -1.6074200000e-01  1.5248900000e-01  9.3120400000e-01 -8.7215500000e-01  4.5633200000e-01  2.6897710000e+00 -1.7699840000e+00  7.8799800000e-01  2.7012840000e+00 -3.5319400000e-01  1.1547140000e+00  3.0887360000e+00
-ENERGY -1.526603839960e+02
-FORCES -5.9049000000e-03  2.5833000000e-03  1.0393000000e-02  1.6801000000e-03 -1.2019000000e-03  1.4395000000e-03  4.6867000000e-03 -1.2250000000e-04 -9.3187000000e-03 -2.5040000000e-03  3.0939000000e-03  1.2515000000e-03  4.9595000000e-03 -8.6320000000e-04 -3.7660000000e-04 -2.9173000000e-03 -3.4896000000e-03 -3.3888000000e-03
-
-JOB 237
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2947400000e-01 -8.2388900000e-01 -4.2986100000e-01 -2.5826700000e-01 -1.2565100000e-01  9.1309500000e-01 -5.3955200000e-01 -2.8138650000e+00 -3.1955900000e-01  2.2139800000e-01 -3.3890540000e+00 -2.3989900000e-01 -7.1767200000e-01 -2.7803030000e+00 -1.2594410000e+00
-ENERGY -1.526582795323e+02
-FORCES -3.4044000000e-03 -1.2432900000e-02  3.2804000000e-03  3.1580000000e-04  6.7756000000e-03 -5.0093000000e-03  1.3803000000e-03  2.3016000000e-03 -1.8734000000e-03  3.6468000000e-03 -2.7882000000e-03 -1.3105000000e-03 -4.2410000000e-03  2.4785000000e-03 -7.8500000000e-04  2.3025000000e-03  3.6653000000e-03  5.6977000000e-03
-
-JOB 238
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4244900000e-01 -5.1578000000e-02 -9.2454900000e-01 -9.3226500000e-01 -2.1646300000e-01  1.6066000000e-02  3.6339980000e+00  7.5907000000e-02 -6.2878800000e-01  4.5695390000e+00 -1.1956300000e-01 -6.8158300000e-01  3.2065040000e+00 -6.9312400000e-01 -1.0057130000e+00
-ENERGY -1.526531778480e+02
-FORCES -2.8622000000e-03  3.1000000000e-05 -3.7320000000e-03 -8.9700000000e-04 -1.1349000000e-03  3.7153000000e-03  4.0418000000e-03  9.1690000000e-04  8.4500000000e-05  2.2009000000e-03 -4.3558000000e-03 -6.3210000000e-04 -3.9087000000e-03  8.8810000000e-04  2.9830000000e-04  1.4252000000e-03  3.6547000000e-03  2.6600000000e-04
-
-JOB 239
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3908300000e-01  9.0915600000e-01 -1.8029300000e-01  7.6479400000e-01 -1.6113300000e-01 -5.5259200000e-01  2.0782400000e+00 -1.0266300000e-01 -1.8516750000e+00  2.8577570000e+00 -6.5776400000e-01 -1.8305220000e+00  1.9001950000e+00  2.5634000000e-02 -2.7833780000e+00
-ENERGY -1.526608539919e+02
-FORCES  9.6535000000e-03  2.2962000000e-03 -8.9451000000e-03  3.2200000000e-05 -2.4294000000e-03  1.3500000000e-04 -6.0424000000e-03 -6.6290000000e-04  6.6601000000e-03 -1.7474000000e-03 -1.2732000000e-03 -1.0927000000e-03 -4.1000000000e-03  2.6912000000e-03 -1.0566000000e-03  2.2040000000e-03 -6.2190000000e-04  4.2993000000e-03
-
-JOB 240
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3546000000e-02  9.5071500000e-01  1.0235800000e-01  8.3679200000e-01 -1.5616700000e-01 -4.3774700000e-01  1.0591800000e-01 -5.8552300000e-01  2.9204670000e+00  1.7840100000e-01  3.2752800000e-01  3.1985240000e+00  2.8586000000e-01 -5.6516100000e-01  1.9805530000e+00
-ENERGY -1.526589891998e+02
-FORCES  9.1260000000e-04  4.3202000000e-03 -4.1236000000e-03  1.2092000000e-03 -5.1756000000e-03  9.2850000000e-04 -4.0341000000e-03  7.6370000000e-04  4.0459000000e-03 -5.3910000000e-04  3.6581000000e-03 -9.1130000000e-03 -2.3640000000e-04 -2.4739000000e-03 -1.3150000000e-03  2.6878000000e-03 -1.0925000000e-03  9.5772000000e-03
-
-JOB 241
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0874600000e-01  7.8475800000e-01  2.0387100000e-01  3.0933500000e-01 -6.5563800000e-01  6.2504500000e-01 -3.5090800000e-01  5.3260000000e-01 -2.6018640000e+00 -2.0827400000e-01  4.4227500000e-01 -1.6596700000e+00  4.8775700000e-01  8.4342200000e-01 -2.9428370000e+00
-ENERGY -1.526565031412e+02
-FORCES  8.8700000000e-04 -2.4877000000e-03 -4.6727000000e-03 -2.5375000000e-03 -4.6991000000e-03 -5.0806000000e-03 -6.9750000000e-04  4.9597000000e-03 -1.4168000000e-03  3.1021000000e-03 -5.2462000000e-03  1.2968300000e-02  1.2698000000e-03  8.1239000000e-03 -4.7054000000e-03 -2.0239000000e-03 -6.5060000000e-04  2.9071000000e-03
-
-JOB 242
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5448700000e-01  4.0631500000e-01 -4.2648500000e-01 -2.0527400000e-01  3.4151000000e-02  9.3430600000e-01 -4.4690300000e-01  3.4586800000e-01  2.5930540000e+00 -1.3488030000e+00  6.0340100000e-01  2.7840640000e+00  8.7027000000e-02  1.0478640000e+00  2.9650120000e+00
-ENERGY -1.526587555200e+02
-FORCES -4.4652000000e-03  2.8489000000e-03  1.7513100000e-02  1.3540000000e-03 -7.7980000000e-04  2.6608000000e-03  5.5820000000e-04 -1.1820000000e-03 -9.7075000000e-03  1.6542000000e-03  2.8821000000e-03 -6.8672000000e-03  5.0950000000e-03 -4.2180000000e-04 -2.2548000000e-03 -4.1961000000e-03 -3.3474000000e-03 -1.3444000000e-03
-
-JOB 243
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6373100000e-01 -7.6150200000e-01 -1.3621300000e-01 -3.9404300000e-01  6.8905400000e-01 -5.3494500000e-01 -2.4004300000e+00 -1.1729690000e+00 -4.7999200000e-01 -2.3239610000e+00 -2.1104620000e+00 -3.0252900000e-01 -2.6663970000e+00 -7.9127800000e-01  3.5655100000e-01
-ENERGY -1.526566663218e+02
-FORCES -1.5136100000e-02 -5.0757000000e-03 -7.8077000000e-03  5.7411000000e-03 -1.5418000000e-03  5.2683000000e-03  2.0404000000e-03  1.4180000000e-04  2.6664000000e-03  1.1966000000e-03  2.4925000000e-03  4.7368000000e-03  3.3236000000e-03  6.3214000000e-03 -5.7000000000e-05  2.8344000000e-03 -2.3382000000e-03 -4.8068000000e-03
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-JOB 244
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8652100000e-01  5.4474900000e-01  2.9417000000e-02  7.0454900000e-01  5.7994900000e-01  2.8896600000e-01  1.9806870000e+00  2.0486160000e+00 -1.6242460000e+00  2.5431480000e+00  1.3066250000e+00 -1.4021690000e+00  2.5311910000e+00  2.8184320000e+00 -1.4808570000e+00
-ENERGY -1.526554645436e+02
-FORCES -2.3320000000e-04  7.5135000000e-03 -1.0827000000e-03  2.1939000000e-03 -2.8119000000e-03  8.1240000000e-04 -1.4983000000e-03 -4.6353000000e-03  7.9590000000e-04  5.2302000000e-03 -5.7150000000e-04 -1.3627000000e-03 -2.7414000000e-03  4.0901000000e-03  9.2000000000e-04 -2.9511000000e-03 -3.5849000000e-03 -8.2900000000e-05
-
-JOB 245
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1715200000e-01  9.0571600000e-01  2.2080700000e-01  1.4319000000e-02 -2.3802000000e-02 -9.5679700000e-01 -2.6255090000e+00 -7.1948400000e-01 -6.7500000000e-04 -1.8116370000e+00 -2.4823600000e-01 -1.7891300000e-01 -2.6449130000e+00 -8.1321100000e-01  9.5172800000e-01
-ENERGY -1.526566546193e+02
-FORCES -8.2820000000e-04  1.7830000000e-04 -1.7772000000e-03 -2.8647000000e-03 -5.1615000000e-03 -1.3112000000e-03 -4.9306000000e-03  9.8890000000e-04  6.7099000000e-03  1.6174600000e-02  3.3886000000e-03  5.4716000000e-03 -6.0584000000e-03  2.4970000000e-04 -6.9104000000e-03 -1.4926000000e-03  3.5590000000e-04 -2.1827000000e-03
-
-JOB 246
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6154600000e-01 -5.5756500000e-01  7.6108900000e-01 -1.3098100000e-01  8.7446100000e-01  3.6659700000e-01  1.1442700000e-01  6.3410100000e-01 -2.6024400000e+00  8.9364500000e-01  3.1695500000e-01 -3.0590250000e+00  1.8214200000e-01  2.6006300000e-01 -1.7239520000e+00
-ENERGY -1.526602090229e+02
-FORCES  3.3690000000e-04  1.6431000000e-03 -3.7575000000e-03 -9.7490000000e-04  4.1987000000e-03 -2.1847000000e-03  1.1457000000e-03 -5.4477000000e-03 -1.1239000000e-03  1.4255000000e-03 -5.6920000000e-03  1.1850000000e-02 -2.0101000000e-03  1.7800000000e-04  2.3965000000e-03  7.7000000000e-05  5.1198000000e-03 -7.1803000000e-03
-
-JOB 247
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8040300000e-01  7.4499000000e-02  9.1217100000e-01  9.5525000000e-01  4.7889000000e-02  3.7900000000e-02 -1.0374240000e+00  2.2084610000e+00 -1.4735260000e+00 -7.3599000000e-01  1.3590730000e+00 -1.1511770000e+00 -2.3904300000e-01  2.7293180000e+00 -1.5602840000e+00
-ENERGY -1.526604522642e+02
-FORCES  1.1442000000e-03  2.3272000000e-03  4.1457000000e-03  2.5185000000e-03 -7.3450000000e-04 -4.3661000000e-03 -4.9196000000e-03  8.9160000000e-04 -1.8960000000e-04  6.5267000000e-03 -8.5230000000e-03  5.5509000000e-03 -3.3669000000e-03  7.7668000000e-03 -5.6822000000e-03 -1.9029000000e-03 -1.7280000000e-03  5.4130000000e-04
-
-JOB 248
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4900400000e-01 -8.8616500000e-01 -3.2976000000e-01 -3.1352300000e-01 -2.4479000000e-02  9.0406600000e-01  2.8291620000e+00  7.0235100000e-01 -3.9813400000e-01  2.5655830000e+00  9.1521900000e-01 -1.2933690000e+00  2.0278150000e+00  3.8635300000e-01  1.9263000000e-02
-ENERGY -1.526603756875e+02
-FORCES -3.5807000000e-03 -3.2226000000e-03  1.1396000000e-03  1.2726000000e-03  4.6915000000e-03  1.9192000000e-03  2.8536000000e-03 -3.7960000000e-04 -4.5842000000e-03 -1.1742000000e-02 -8.7150000000e-04 -1.4289000000e-03  2.2829000000e-03 -7.8970000000e-04  1.7770000000e-03  8.9135000000e-03  5.7190000000e-04  1.1774000000e-03
-
-JOB 249
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6966000000e-01 -3.8019000000e-01  1.2401400000e-01 -5.6224300000e-01 -7.4782600000e-01 -2.0216300000e-01 -5.7851000000e-01  1.0113420000e+00  2.7528490000e+00  2.3879000000e-02  3.6444200000e-01  3.1201090000e+00 -6.3026200000e-01  7.9033100000e-01  1.8229530000e+00
-ENERGY -1.526599063416e+02
-FORCES  2.8911000000e-03 -4.6100000000e-03 -2.0426000000e-03 -4.8170000000e-03  1.2766000000e-03  1.7660000000e-04  2.9534000000e-03  3.8884000000e-03  2.2735000000e-03  3.4103000000e-03 -4.6327000000e-03 -8.5387000000e-03 -1.4955000000e-03  1.7843000000e-03 -8.0390000000e-04 -2.9422000000e-03  2.2934000000e-03  8.9351000000e-03
-
-JOB 250
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4508200000e-01 -9.0691100000e-01 -1.8351700000e-01 -6.0100000000e-02  7.6852000000e-02  9.5221500000e-01 -1.3297080000e+00  1.9550290000e+00 -1.5306620000e+00 -6.8394200000e-01  2.5465220000e+00 -1.1441990000e+00 -1.0587770000e+00  1.0831090000e+00 -1.2432870000e+00
-ENERGY -1.526591417419e+02
-FORCES -2.0707000000e-03  3.3010000000e-04  3.3231000000e-03 -1.9920000000e-04  5.7422000000e-03  2.5700000000e-04  9.4860000000e-04 -1.0940000000e-03 -4.6120000000e-03  9.1961000000e-03 -7.0867000000e-03  8.4257000000e-03 -2.5624000000e-03  2.8010000000e-04 -1.1738000000e-03 -5.3124000000e-03  1.8284000000e-03 -6.2201000000e-03
-
-JOB 251
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9443600000e-01 -3.3020400000e-01  8.4745000000e-02  3.5226000000e-02  3.7434800000e-01 -8.8025800000e-01  2.1008730000e+00 -2.0834170000e+00  3.1904900000e-01  1.3713870000e+00 -1.5461340000e+00  1.0165000000e-02  2.2162560000e+00 -1.8281130000e+00  1.2343300000e+00
-ENERGY -1.526609832160e+02
-FORCES -4.3218000000e-03  2.4914000000e-03 -2.3337000000e-03  4.9925000000e-03  1.2818000000e-03 -8.0380000000e-04 -1.5370000000e-04 -3.1557000000e-03  4.4269000000e-03 -6.6915000000e-03  8.5544000000e-03  2.3765000000e-03  5.8226000000e-03 -7.3406000000e-03 -1.3889000000e-03  3.5200000000e-04 -1.8313000000e-03 -2.2770000000e-03
-
-JOB 252
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6072400000e-01  4.0194300000e-01 -1.1759400000e-01  6.6986000000e-02 -4.7214200000e-01  8.2995600000e-01  1.6632190000e+00 -2.6155220000e+00  7.0205600000e-01  7.3602400000e-01 -2.6495590000e+00  9.3739100000e-01  1.9751740000e+00 -3.5120250000e+00  8.2533900000e-01
-ENERGY -1.526542245807e+02
-FORCES  7.3287000000e-03 -1.1701000000e-03  2.3240000000e-03 -4.3870000000e-03  3.1450000000e-04  1.5970000000e-04 -2.5469000000e-03 -6.8070000000e-04 -2.7007000000e-03 -2.8623000000e-03 -4.9557000000e-03 -1.0510000000e-04  3.9643000000e-03  2.5220000000e-03  1.2477000000e-03 -1.4968000000e-03  3.9700000000e-03 -9.2560000000e-04
-
-JOB 253
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4389200000e-01 -8.1908700000e-01  2.1974700000e-01 -9.3223800000e-01 -2.0803300000e-01  6.2343000000e-02  7.7550600000e-01  2.8315500000e-01  3.5664900000e+00  7.9176100000e-01 -6.6980500000e-01  3.4779780000e+00  5.5252300000e-01  4.3510600000e-01  4.4848700000e+00
-ENERGY -1.526522088796e+02
-FORCES -1.8300000000e-03 -3.2029000000e-03  2.4391000000e-03 -1.8447000000e-03  2.6512000000e-03 -8.5120000000e-04  3.7138000000e-03  4.8030000000e-04 -6.5100000000e-04 -7.0290000000e-04 -2.9262000000e-03  3.3051000000e-03 -1.1460000000e-04  3.5074000000e-03 -1.5050000000e-04  7.7850000000e-04 -5.0980000000e-04 -4.0915000000e-03
-
-JOB 254
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5014700000e-01  9.6328000000e-02  6.4605000000e-02 -1.4706800000e-01 -3.4290900000e-01 -8.8148500000e-01 -4.7449100000e-01  1.8105060000e+00  3.3051760000e+00 -1.0268730000e+00  2.0811280000e+00  4.0385710000e+00 -2.7845600000e-01  8.8991700000e-01  3.4793000000e+00
-ENERGY -1.526537965794e+02
-FORCES  3.3003000000e-03  4.3600000000e-05 -3.6734000000e-03 -3.8771000000e-03 -1.1644000000e-03 -1.3080000000e-04  5.4040000000e-04  1.4046000000e-03  3.6747000000e-03 -2.0941000000e-03 -3.4695000000e-03  2.6615000000e-03  2.2093000000e-03 -9.7680000000e-04 -2.9690000000e-03 -7.8800000000e-05  4.1625000000e-03  4.3690000000e-04
-
-JOB 255
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4122100000e-01  4.0831400000e-01 -2.0459300000e-01  1.8322800000e-01  2.6633700000e-01  9.0095700000e-01 -3.3381900000e-01 -2.7768230000e+00 -6.1679300000e-01 -1.9513200000e-01 -1.8644230000e+00 -3.6277800000e-01 -3.4323400000e-01 -2.7607260000e+00 -1.5738110000e+00
-ENERGY -1.526616331402e+02
-FORCES -2.2034000000e-03  2.1098000000e-03  2.9674000000e-03  4.4208000000e-03 -2.7104000000e-03  1.1306000000e-03 -1.7338000000e-03 -9.7030000000e-04 -4.6848000000e-03  2.8384000000e-03  1.1287500000e-02 -5.2100000000e-05 -2.7564000000e-03 -1.0180800000e-02 -2.1355000000e-03 -5.6560000000e-04  4.6410000000e-04  2.7744000000e-03
-
-JOB 256
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5727000000e-02 -8.9104500000e-01 -3.4520300000e-01 -1.1081600000e-01 -1.1477100000e-01  9.4381100000e-01 -1.1479010000e+00  1.8244720000e+00 -2.1757780000e+00 -4.1193700000e-01  2.4325460000e+00 -2.2453040000e+00 -8.6953300000e-01  1.1847110000e+00 -1.5204530000e+00
-ENERGY -1.526613115873e+02
-FORCES -9.7800000000e-05 -3.8263000000e-03  4.5122000000e-03 -7.5360000000e-04  4.6728000000e-03  1.6468000000e-03  1.2730000000e-03 -7.1200000000e-04 -4.2533000000e-03  5.4637000000e-03 -2.3622000000e-03  6.4182000000e-03 -2.4856000000e-03 -1.5160000000e-03 -2.4260000000e-04 -3.3997000000e-03  3.7438000000e-03 -8.0813000000e-03
-
-JOB 257
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7041900000e-01 -9.3323400000e-01  1.2753100000e-01 -8.9447100000e-01  1.2607900000e-01  3.1663500000e-01  1.7663700000e-01  6.4264900000e-01 -2.5654170000e+00  3.1709400000e-01 -2.7173200000e-01 -2.8112010000e+00 -5.1270000000e-03  6.1346300000e-01 -1.6260860000e+00
-ENERGY -1.526567981949e+02
-FORCES  2.5370000000e-04 -2.5404000000e-03 -7.6286000000e-03 -1.9203000000e-03  4.6896000000e-03 -6.7600000000e-04  5.0315000000e-03 -6.4640000000e-04 -4.0661000000e-03  1.0850000000e-04 -7.4737000000e-03  1.8657900000e-02 -2.2320000000e-04  1.6644000000e-03  4.1520000000e-04 -3.2502000000e-03  4.3065000000e-03 -6.7023000000e-03
-
-JOB 258
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0027100000e-01 -2.1220500000e-01 -2.4640000000e-01 -5.4004300000e-01 -5.5293400000e-01 -5.6466700000e-01  1.7108480000e+00 -6.9994500000e-01  2.4732520000e+00  2.3991520000e+00 -2.3320700000e-01  1.9993050000e+00  2.1379250000e+00 -1.0117090000e+00  3.2711500000e+00
-ENERGY -1.526513650702e+02
-FORCES  2.0958000000e-03 -5.1065000000e-03 -8.9700000000e-04 -2.3840000000e-03  2.3903000000e-03  2.7400000000e-04  1.9048000000e-03  2.4038000000e-03  2.2923000000e-03  3.9589000000e-03  1.8780000000e-03  1.5499000000e-03 -2.9989000000e-03 -2.8038000000e-03  3.8280000000e-04 -2.5766000000e-03  1.2381000000e-03 -3.6020000000e-03
-
-JOB 259
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2388000000e-02  9.4908600000e-01 -1.0759100000e-01  9.0738300000e-01 -2.0767900000e-01 -2.2306400000e-01 -1.9182520000e+00 -1.9341660000e+00 -6.6228000000e-02 -1.1495440000e+00 -1.3643710000e+00 -9.1779000000e-02 -1.5872040000e+00 -2.7690960000e+00  2.6472500000e-01
-ENERGY -1.526597747852e+02
-FORCES -3.7193000000e-03  2.8140000000e-04 -1.3270000000e-03  2.7821000000e-03 -4.2234000000e-03  4.2370000000e-04 -4.8971000000e-03  8.0490000000e-04  1.1677000000e-03  9.3928000000e-03  8.5793000000e-03  1.4486000000e-03 -4.2424000000e-03 -8.6631000000e-03 -5.3130000000e-04  6.8390000000e-04  3.2208000000e-03 -1.1815000000e-03
-
-JOB 260
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3282400000e-01  5.0883500000e-01 -3.4682400000e-01  8.8560000000e-03  1.9939100000e-01  9.3616000000e-01 -7.1677300000e-01  7.5132000000e-01  2.6661780000e+00 -1.5070490000e+00  1.2914070000e+00  2.6672620000e+00 -3.6152000000e-02  1.3211820000e+00  3.0242920000e+00
-ENERGY -1.526593342087e+02
-FORCES -6.0304000000e-03  4.0693000000e-03  1.0829900000e-02  1.8372000000e-03 -1.2089000000e-03  2.6360000000e-04  5.5061000000e-03 -1.2548000000e-03 -7.5740000000e-03 -2.3612000000e-03  3.6964000000e-03  2.8370000000e-04  4.3453000000e-03 -2.1055000000e-03 -1.1360000000e-04 -3.2971000000e-03 -3.1965000000e-03 -3.6896000000e-03
-
-JOB 261
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2784100000e-01 -4.0390600000e-01 -2.6033100000e-01 -5.6128000000e-02  8.9665600000e-01 -3.3028700000e-01  1.1629550000e+00 -1.6244100000e-01 -3.1951750000e+00  1.5082060000e+00 -7.4429000000e-02 -4.0835940000e+00  2.7032400000e-01 -4.8638700000e-01 -3.3155880000e+00
-ENERGY -1.526529980505e+02
-FORCES -1.7638000000e-03  2.5570000000e-03 -3.4640000000e-03  3.1775000000e-03  1.3706000000e-03  3.7030000000e-04 -1.0830000000e-03 -3.4755000000e-03  2.4563000000e-03 -1.9798000000e-03 -2.1805000000e-03 -3.8346000000e-03 -1.4165000000e-03 -2.5060000000e-04  4.1774000000e-03  3.0655000000e-03  1.9791000000e-03  2.9460000000e-04
-
-JOB 262
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7644700000e-01 -8.9942600000e-01  1.7561800000e-01 -7.6137100000e-01  1.3170300000e-01  5.6497800000e-01  2.3393210000e+00  1.4311330000e+00  4.7770000000e-02  1.8477370000e+00  2.0920650000e+00 -4.3982200000e-01  1.7779290000e+00  6.5596500000e-01  3.4139000000e-02
-ENERGY -1.526567947338e+02
-FORCES  8.1730000000e-04  2.5451000000e-03  4.3072000000e-03  1.6106000000e-03  6.8011000000e-03 -3.6380000000e-04  3.0082000000e-03 -1.7164000000e-03 -3.3570000000e-03 -1.5550800000e-02 -4.2920000000e-03 -2.1508000000e-03  2.7124000000e-03  1.6220000000e-04  1.3905000000e-03  7.4024000000e-03 -3.4999000000e-03  1.7390000000e-04
-
-JOB 263
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4888300000e-01  3.4095000000e-01 -2.8174800000e-01  1.1958200000e-01 -2.0522900000e-01  9.2726100000e-01  2.3388340000e+00  9.8427000000e-01 -1.0019200000e+00  2.5984360000e+00  1.8115730000e+00 -5.9644700000e-01  2.8219640000e+00  9.5981600000e-01 -1.8278850000e+00
-ENERGY -1.526601974118e+02
-FORCES  1.1741300000e-02  3.0302000000e-03 -4.0499000000e-03 -7.2656000000e-03 -1.3380000000e-03  6.0180000000e-03  8.7770000000e-04  1.6309000000e-03 -2.8089000000e-03 -3.3640000000e-03 -8.0520000000e-04 -1.6211000000e-03 -1.2050000000e-03 -4.5845000000e-03 -2.0460000000e-03 -7.8430000000e-04  2.0665000000e-03  4.5078000000e-03
-
-JOB 264
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3363900000e-01  7.8577400000e-01  1.1841100000e-01  5.4977200000e-01 -7.1426100000e-01  3.2220100000e-01  1.7207290000e+00  2.0352300000e+00  6.7157700000e-01  1.2994660000e+00  2.8902870000e+00  5.8413500000e-01  2.4844280000e+00  2.0840260000e+00  9.6587000000e-02
-ENERGY -1.526602068115e+02
-FORCES  1.1386300000e-02  9.2874000000e-03  5.9273000000e-03 -7.1414000000e-03 -5.3023000000e-03 -4.3928000000e-03 -1.1564000000e-03  1.5779000000e-03 -1.4518000000e-03 -4.2400000000e-04  4.5050000000e-04 -2.1870000000e-03  2.0445000000e-03 -5.5479000000e-03 -7.7120000000e-04 -4.7089000000e-03 -4.6560000000e-04  2.8755000000e-03
-
-JOB 265
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6306800000e-01 -4.8938000000e-02  9.4193700000e-01  7.8440600000e-01  4.1559400000e-01 -3.5808000000e-01 -1.8290610000e+00  1.8754380000e+00 -2.1035400000e-01 -1.2958440000e+00  1.1079180000e+00 -3.4140000000e-03 -2.7166430000e+00  1.5312200000e+00 -3.1007600000e-01
-ENERGY -1.526587338565e+02
-FORCES -1.1083000000e-03  8.3590000000e-03 -1.9372000000e-03 -3.1949000000e-03  2.5680000000e-03 -5.6616000000e-03 -3.7482000000e-03 -2.7967000000e-03  3.2706000000e-03  1.1474100000e-02 -1.4592300000e-02 -7.1800000000e-05 -7.0413000000e-03  7.3863000000e-03  3.5207000000e-03  3.6186000000e-03 -9.2440000000e-04  8.7940000000e-04
-
-JOB 266
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9108300000e-01 -3.3599100000e-01 -9.6505000000e-02 -5.5799100000e-01 -6.9710500000e-01 -3.4485100000e-01 -1.3484040000e+00 -2.2017110000e+00 -1.5859030000e+00 -2.1868280000e+00 -2.4473320000e+00 -1.1948160000e+00 -1.5722580000e+00 -1.9089320000e+00 -2.4693060000e+00
-ENERGY -1.526612865775e+02
-FORCES -8.0520000000e-04 -8.4333000000e-03 -5.0110000000e-03 -2.3295000000e-03  1.6986000000e-03  4.6910000000e-04  2.3995000000e-03  7.2177000000e-03  6.1354000000e-03 -4.2739000000e-03 -9.3720000000e-04 -4.4545000000e-03  4.4491000000e-03  2.3965000000e-03 -1.5848000000e-03  5.6010000000e-04 -1.9423000000e-03  4.4457000000e-03
-
-JOB 267
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9585000000e-01  2.9902000000e-01  1.5579200000e-01  5.3295200000e-01  5.1116700000e-01  6.0901800000e-01  5.5088400000e-01 -6.6870900000e-01 -2.7424960000e+00 -1.0858400000e-01 -2.5709900000e-01 -3.3009870000e+00  3.4048000000e-01 -3.6553200000e-01 -1.8592940000e+00
-ENERGY -1.526609333347e+02
-FORCES  1.6560000000e-04  2.3731000000e-03  2.6806000000e-03  4.7784000000e-03 -8.1150000000e-04 -1.4422000000e-03 -3.8169000000e-03 -2.1790000000e-03 -2.1826000000e-03 -3.0061000000e-03  3.5124000000e-03  8.8514000000e-03  1.4193000000e-03 -9.8130000000e-04  2.6451000000e-03  4.5970000000e-04 -1.9136000000e-03 -1.0552200000e-02
-
-JOB 268
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4086100000e-01  6.7656600000e-01 -2.1860400000e-01  5.4214900000e-01 -7.9583000000e-02 -7.8484000000e-01 -1.0045080000e+00  2.5887400000e+00 -7.6848900000e-01 -1.9047630000e+00  2.9018780000e+00 -8.5633700000e-01 -4.9897900000e-01  3.3707250000e+00 -5.4674400000e-01
-ENERGY -1.526602235930e+02
-FORCES -2.4137000000e-03  9.3814000000e-03 -5.6398000000e-03  5.7210000000e-04 -8.3394000000e-03  2.1825000000e-03 -8.7150000000e-04 -4.0660000000e-04  2.5833000000e-03  1.7228000000e-03  3.6558000000e-03  1.9939000000e-03  4.4953000000e-03 -1.8174000000e-03  8.9320000000e-04 -3.5050000000e-03 -2.4737000000e-03 -2.0131000000e-03
-
-JOB 269
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2938000000e-02 -9.2436600000e-01 -2.4749500000e-01 -4.4414500000e-01  3.2675000000e-02  8.4729000000e-01 -2.1790150000e+00  1.7792520000e+00  2.2834820000e+00 -1.6058920000e+00  2.3959190000e+00  1.8279770000e+00 -1.8519100000e+00  1.7671490000e+00  3.1829750000e+00
-ENERGY -1.526572952613e+02
-FORCES -3.4377000000e-03 -3.6676000000e-03  2.6388000000e-03  2.3970000000e-04  3.4528000000e-03  1.0837000000e-03  4.6899000000e-03 -7.0360000000e-04 -4.3532000000e-03  1.7830000000e-03  5.3481000000e-03  2.2204000000e-03 -2.3072000000e-03 -3.7306000000e-03  2.7346000000e-03 -9.6780000000e-04 -6.9910000000e-04 -4.3244000000e-03
-
-JOB 270
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6679900000e-01 -8.6026200000e-01  2.0406000000e-01 -9.6812000000e-02 -1.3800000000e-04 -9.5229200000e-01  1.1565050000e+00  2.1449530000e+00  1.2409920000e+00  1.6679910000e+00  1.8268010000e+00  1.9848970000e+00  7.9818600000e-01  1.3531320000e+00  8.3991900000e-01
-ENERGY -1.526602576090e+02
-FORCES  2.6904000000e-03  1.7853000000e-03 -1.5013000000e-03 -1.2547000000e-03  4.9226000000e-03 -1.1422000000e-03  6.2960000000e-04 -1.4749000000e-03  5.0089000000e-03 -5.6735000000e-03 -1.1815600000e-02 -5.1001000000e-03 -1.7955000000e-03 -6.8550000000e-04 -2.6471000000e-03  5.4038000000e-03  7.2681000000e-03  5.3818000000e-03
-
-JOB 271
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5108300000e-01 -7.0593900000e-01  4.6303900000e-01 -4.6362700000e-01  7.4551000000e-02 -8.3410100000e-01  1.8027590000e+00  1.6531430000e+00  1.4416660000e+00  2.6506810000e+00  1.2114730000e+00  1.3948890000e+00  1.2222530000e+00  1.1158820000e+00  9.0259800000e-01
-ENERGY -1.526617506119e+02
-FORCES -1.9850000000e-03  5.0600000000e-05  1.2660000000e-04  1.6581000000e-03  2.9762000000e-03 -3.4398000000e-03  1.2832000000e-03 -1.8233000000e-03  4.1806000000e-03 -4.6388000000e-03 -7.1296000000e-03 -6.3127000000e-03 -2.7191000000e-03  8.4960000000e-04  7.5200000000e-05  6.4016000000e-03  5.0765000000e-03  5.3701000000e-03
-
-JOB 272
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0190800000e-01 -4.0740100000e-01  3.2741300000e-01 -7.0098000000e-02 -6.3657000000e-02 -9.5250500000e-01  1.2543780000e+00  2.1258750000e+00  1.5658690000e+00  2.1939490000e+00  2.0341960000e+00  1.4076450000e+00  8.5131000000e-01  1.4579620000e+00  1.0111980000e+00
-ENERGY -1.526619232433e+02
-FORCES -3.4510000000e-03 -1.1463000000e-03 -1.7202000000e-03  3.6130000000e-03  1.6164000000e-03 -2.7601000000e-03 -1.9890000000e-04 -4.9590000000e-04  4.5751000000e-03 -1.3860000000e-03 -7.7134000000e-03 -5.7536000000e-03 -2.8087000000e-03  2.9770000000e-04  2.5700000000e-05  4.2316000000e-03  7.4415000000e-03  5.6331000000e-03
-
-JOB 273
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7764000000e-02 -9.4106900000e-01 -1.7277200000e-01 -8.3740900000e-01  1.9126300000e-01  4.2237000000e-01  4.6903400000e-01 -2.6237130000e+00  7.7597000000e-02  5.7586000000e-02 -3.3206370000e+00 -4.3351800000e-01  1.4079370000e+00 -2.7442870000e+00 -6.4371000000e-02
-ENERGY -1.526594834687e+02
-FORCES  6.4170000000e-04 -1.5732800000e-02  2.0166000000e-03 -2.2259000000e-03  9.1972000000e-03 -2.0642000000e-03  2.0038000000e-03 -1.8779000000e-03 -1.4871000000e-03  3.0865000000e-03  4.4427000000e-03 -6.6830000000e-04  2.1100000000e-03  4.5970000000e-03  2.3497000000e-03 -5.6161000000e-03 -6.2610000000e-04 -1.4660000000e-04
-
-JOB 274
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3619100000e-01 -9.3920100000e-01 -1.2483900000e-01 -3.2484600000e-01  1.7427400000e-01  8.8336600000e-01  1.9016280000e+00  1.0867630000e+00  2.9200860000e+00  1.0499670000e+00  6.5073000000e-01  2.8921560000e+00  1.7591000000e+00  1.9206650000e+00  2.4722870000e+00
-ENERGY -1.526522381082e+02
-FORCES -1.3794000000e-03 -4.1308000000e-03  2.3213000000e-03  3.3220000000e-04  4.1944000000e-03  6.1810000000e-04  2.0778000000e-03  1.2250000000e-04 -1.9688000000e-03 -3.0692000000e-03  1.7784000000e-03 -3.3801000000e-03  1.8461000000e-03  1.4526000000e-03 -3.9460000000e-04  1.9250000000e-04 -3.4171000000e-03  2.8040000000e-03
-
-JOB 275
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6783500000e-01 -5.6238300000e-01 -1.0191200000e-01 -3.1710900000e-01  8.7900900000e-01 -2.0740400000e-01 -2.0707970000e+00 -1.5316670000e+00 -6.3367700000e-01 -2.9554580000e+00 -1.4850600000e+00 -2.7113700000e-01 -1.8943950000e+00 -2.4688300000e+00 -7.1637300000e-01
-ENERGY -1.526593956810e+02
-FORCES -1.4822000000e-02 -8.0593000000e-03 -5.3129000000e-03  7.1867000000e-03  4.1216000000e-03  2.7331000000e-03 -1.7330000000e-04 -2.4578000000e-03  8.3740000000e-04  5.2332000000e-03  2.2093000000e-03  2.7885000000e-03  4.6598000000e-03 -8.5420000000e-04 -2.2361000000e-03 -2.0844000000e-03  5.0405000000e-03  1.1901000000e-03
-
-JOB 276
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6057600000e-01 -7.5156100000e-01 -5.7061700000e-01  9.3544300000e-01 -4.4527000000e-02  1.9798100000e-01  2.8910880000e+00 -1.0189090000e+00  1.7003100000e-01  2.9190550000e+00 -1.8843900000e+00  5.7794300000e-01  3.8093420000e+00 -7.5942000000e-01  9.4490000000e-02
-ENERGY -1.526606232810e+02
-FORCES  7.8018000000e-03 -4.0406000000e-03 -1.9322000000e-03 -7.3800000000e-04  2.0097000000e-03  2.0039000000e-03 -8.1502000000e-03  2.5969000000e-03  3.2800000000e-04  4.7294000000e-03 -2.4332000000e-03  1.2586000000e-03  2.0240000000e-04  3.9851000000e-03 -2.3114000000e-03 -3.8454000000e-03 -2.1179000000e-03  6.5300000000e-04
-
-JOB 277
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8489400000e-01  3.9373900000e-01 -3.8097600000e-01  2.7181600000e-01 -2.7936400000e-01  8.7424500000e-01  2.6090010000e+00  1.0005530000e+00 -2.1792600000e-01  2.6917570000e+00  1.8740690000e+00  1.6463600000e-01  2.7512290000e+00  1.1344880000e+00 -1.1549770000e+00
-ENERGY -1.526588244119e+02
-FORCES  1.4673900000e-02  3.2909000000e-03  2.6486000000e-03 -7.4118000000e-03 -1.3145000000e-03 -4.5180000000e-03 -2.6077000000e-03  4.6070000000e-04 -1.3839000000e-03 -1.7930000000e-04  3.2571000000e-03  2.2960000000e-04 -4.6860000000e-04 -4.7102000000e-03 -2.3160000000e-03 -4.0065000000e-03 -9.8390000000e-04  5.3397000000e-03
-
-JOB 278
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1251700000e-01  6.1277900000e-01 -4.0688700000e-01 -8.1721000000e-02  1.6692600000e-01  9.3898300000e-01 -1.7496060000e+00  1.9493110000e+00 -6.7814000000e-01 -2.6724190000e+00  1.8605230000e+00 -4.3988700000e-01 -1.7417610000e+00  1.8912780000e+00 -1.6335460000e+00
-ENERGY -1.526583575333e+02
-FORCES -1.1332100000e-02  1.3833700000e-02  3.8300000000e-05  5.4719000000e-03 -6.4711000000e-03 -3.8779000000e-03  2.3300000000e-04 -1.3731000000e-03 -1.8079000000e-03 -4.9800000000e-04 -4.1005000000e-03  6.6200000000e-04  4.9530000000e-03  7.3950000000e-04 -1.6717000000e-03  1.1722000000e-03 -2.6286000000e-03  6.6572000000e-03
-
-JOB 279
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0213000000e-02 -7.9854200000e-01 -5.2539700000e-01 -8.1408000000e-02 -3.1071800000e-01  9.0169800000e-01 -1.5065000000e-01 -2.8852390000e+00 -4.3005900000e-01  6.6956400000e-01 -3.2967420000e+00 -1.5776000000e-01 -2.1582800000e-01 -3.0760940000e+00 -1.3657710000e+00
-ENERGY -1.526589090123e+02
-FORCES -1.9320000000e-03 -1.2514200000e-02  1.6753000000e-03  1.5151000000e-03  7.5527000000e-03 -2.6548000000e-03  1.0756000000e-03  2.8261000000e-03 -1.3446000000e-03  2.2928000000e-03 -3.6828000000e-03 -1.1168000000e-03 -4.1926000000e-03  2.7065000000e-03 -1.4091000000e-03  1.2411000000e-03  3.1117000000e-03  4.8500000000e-03
-
-JOB 280
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5378500000e-01 -4.2324800000e-01  9.0247000000e-02  1.1607100000e-01  1.0730800000e-01 -9.4405700000e-01  2.4756200000e+00 -1.6900280000e+00  2.3066500000e-01  1.6934240000e+00 -1.3309050000e+00 -1.8818200000e-01  2.3549980000e+00 -1.5059330000e+00  1.1622180000e+00
-ENERGY -1.526582952994e+02
-FORCES -4.7675000000e-03  9.9720000000e-04 -2.4241000000e-03  4.6897000000e-03  1.8562000000e-03 -5.9040000000e-04  1.3919000000e-03 -3.4581000000e-03  5.5015000000e-03 -8.6840000000e-03  6.4302000000e-03  3.7791000000e-03  5.2933000000e-03 -3.7098000000e-03 -4.2038000000e-03  2.0766000000e-03 -2.1158000000e-03 -2.0622000000e-03
-
-JOB 281
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7000800000e-01  5.0401600000e-01 -4.6183200000e-01  4.3778300000e-01 -3.1205700000e-01  7.9195800000e-01  1.0414630000e+00 -5.5437800000e-01  2.4961970000e+00  1.8211330000e+00 -1.0136000000e-02  2.6064060000e+00  1.2271900000e+00 -1.3450900000e+00  3.0026670000e+00
-ENERGY -1.526596880178e+02
-FORCES  5.7240000000e-03 -2.6016000000e-03  1.0787000000e-02 -1.1402000000e-03 -1.3922000000e-03  2.7545000000e-03 -1.7575000000e-03  3.2583000000e-03 -9.4516000000e-03  9.2870000000e-04 -5.7450000000e-04 -3.9420000000e-04 -3.7944000000e-03 -3.4649000000e-03 -1.8210000000e-03  3.9300000000e-05  4.7748000000e-03 -1.8746000000e-03
-
-JOB 282
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0907700000e-01 -3.6194000000e-02 -9.0520300000e-01  1.0587700000e-01  9.1699600000e-01  2.5325800000e-01  5.9714400000e-01  3.7223700000e-01 -2.6687930000e+00  3.2587300000e-01  1.2789700000e+00 -2.8119000000e+00  1.4742320000e+00  3.2132900000e-01 -3.0487360000e+00
-ENERGY -1.526596441513e+02
-FORCES  4.0589000000e-03  3.4689000000e-03 -1.3362500000e-02 -1.7508000000e-03 -1.1111000000e-03  9.4654000000e-03 -5.5150000000e-04 -2.0060000000e-03 -1.3169000000e-03  3.3910000000e-04  2.8933000000e-03  1.3971000000e-03  2.5731000000e-03 -4.4301000000e-03  1.4872000000e-03 -4.6689000000e-03  1.1850000000e-03  2.3298000000e-03
-
-JOB 283
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7817200000e-01  4.9449600000e-01 -2.5720500000e-01  8.7263000000e-02  1.6141800000e-01  9.3944700000e-01  1.2927950000e+00  2.8722140000e+00  3.7754700000e-01  1.3013620000e+00  2.7410220000e+00 -5.7058100000e-01  1.3259090000e+00  1.9879320000e+00  7.4248700000e-01
-ENERGY -1.526555805841e+02
-FORCES -5.5493000000e-03  2.6406000000e-03  2.7526000000e-03  3.9289000000e-03 -2.6534000000e-03  5.7040000000e-04  2.7348000000e-03  1.5820000000e-03 -4.6709000000e-03  4.4870000000e-04 -7.5395000000e-03 -4.9944000000e-03 -3.4630000000e-04  2.6796000000e-03  3.2455000000e-03 -1.2167000000e-03  3.2906000000e-03  3.0967000000e-03
-
-JOB 284
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8174200000e-01  5.0392400000e-01 -4.4443200000e-01 -7.7212100000e-01  5.6510600000e-01 -2.6777000000e-02 -2.5681400000e-01  1.8414170000e+00 -2.6389950000e+00 -3.9345100000e-01  2.1669950000e+00 -3.5286930000e+00  2.4030200000e-01  1.0314860000e+00 -2.7535330000e+00
-ENERGY -1.526569111475e+02
-FORCES -1.7416000000e-03  7.0080000000e-03 -1.7873000000e-03 -1.4981000000e-03 -4.1442000000e-03 -6.2800000000e-05  2.7849000000e-03 -3.7624000000e-03  1.8408000000e-03  6.5410000000e-04 -1.9738000000e-03 -5.6195000000e-03  5.5520000000e-04 -1.8502000000e-03  3.7073000000e-03 -7.5440000000e-04  4.7226000000e-03  1.9214000000e-03
-
-JOB 285
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0468900000e-01 -4.0797300000e-01 -5.0319300000e-01 -7.1438500000e-01 -6.3648000000e-01 -2.7895000000e-02 -2.0815170000e+00 -1.8748650000e+00 -2.6630000000e-01 -2.9247150000e+00 -1.7460940000e+00  1.6805900000e-01 -1.9300440000e+00 -2.8189290000e+00 -2.2123400000e-01
-ENERGY -1.526611059079e+02
-FORCES -7.5705000000e-03 -9.3057000000e-03 -3.0304000000e-03 -2.0277000000e-03  4.8260000000e-04  1.5845000000e-03  7.1133000000e-03  6.8232000000e-03  1.5572000000e-03 -4.2270000000e-04 -8.3750000000e-04  2.1460000000e-03  4.2712000000e-03 -1.7553000000e-03 -2.0719000000e-03 -1.3637000000e-03  4.5928000000e-03 -1.8520000000e-04
-
-JOB 286
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0254500000e-01  6.7672200000e-01  6.4595300000e-01 -8.8690300000e-01 -2.8456200000e-01  2.2059000000e-01  2.1083050000e+00 -1.6930070000e+00  3.8484400000e-01  1.9554910000e+00 -1.3181040000e+00  1.2522130000e+00  1.4306950000e+00 -1.3034880000e+00 -1.6774200000e-01
-ENERGY -1.526573367747e+02
-FORCES  2.3818000000e-03 -1.6207000000e-03  4.2376000000e-03 -1.1944000000e-03 -4.3448000000e-03 -2.0318000000e-03  4.8745000000e-03  1.4677000000e-03 -2.2480000000e-04 -1.2938900000e-02  1.0062200000e-02 -2.4690000000e-04  1.7031000000e-03 -6.6930000000e-04 -3.7760000000e-04  5.1740000000e-03 -4.8953000000e-03 -1.3566000000e-03
-
-JOB 287
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5264300000e-01  3.8672000000e-02 -8.4902000000e-02  2.4719000000e-01  8.6528900000e-01  3.2619500000e-01  1.1878930000e+00  2.2859550000e+00  9.5264700000e-01  1.8501130000e+00  2.6681710000e+00  3.7679400000e-01  1.5721350000e+00  2.3377480000e+00  1.8278090000e+00
-ENERGY -1.526614821011e+02
-FORCES  3.5872000000e-03  1.0688400000e-02  4.4967000000e-03  3.1512000000e-03  1.2947000000e-03  9.1770000000e-04 -5.4838000000e-03 -7.8969000000e-03 -4.3313000000e-03  2.3578000000e-03 -3.6736000000e-03 -3.3350000000e-04 -2.7363000000e-03 -1.3744000000e-03  3.8774000000e-03 -8.7610000000e-04  9.6190000000e-04 -4.6271000000e-03
-
-JOB 288
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5273800000e-01 -6.0165800000e-01 -3.5801100000e-01  2.0604800000e-01  4.9918000000e-02  9.3342600000e-01  7.4195100000e-01  2.3133770000e+00 -1.3501400000e+00  4.2184500000e-01  1.4848860000e+00 -9.9325500000e-01  4.9224000000e-02  2.9435840000e+00 -1.1521500000e+00
-ENERGY -1.526607946147e+02
-FORCES  4.3086000000e-03  1.0992000000e-03  2.5611000000e-03 -3.0910000000e-03  5.1296000000e-03  1.5533000000e-03 -9.9500000000e-04 -1.0731000000e-03 -4.7728000000e-03 -6.9803000000e-03 -9.7478000000e-03  7.2841000000e-03  4.7992000000e-03  6.5250000000e-03 -6.7846000000e-03  1.9584000000e-03 -1.9330000000e-03  1.5880000000e-04
-
-JOB 289
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1598000000e-02  9.3058000000e-01  2.0879400000e-01  1.3282200000e-01 -4.6061000000e-02 -9.4682000000e-01 -2.6022630000e+00 -8.6098300000e-01  1.4969600000e-01 -2.2433290000e+00 -1.2443310000e+00  9.4997200000e-01 -1.9001870000e+00 -3.0301600000e-01 -1.8496200000e-01
-ENERGY -1.526571247978e+02
-FORCES -2.5310000000e-04  2.8030000000e-04 -1.1995000000e-03 -2.5095000000e-03 -5.3789000000e-03 -1.6821000000e-03 -4.1443000000e-03  9.5380000000e-04  5.5471000000e-03  1.6658200000e-02  3.0452000000e-03  3.1202000000e-03 -3.4413000000e-03 -9.5400000000e-05 -9.2710000000e-04 -6.3100000000e-03  1.1950000000e-03 -4.8586000000e-03
-
-JOB 290
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3246500000e-01  3.4418300000e-01 -3.2368500000e-01  1.3681000000e-01 -1.1382300000e-01  9.4051000000e-01  2.4148440000e+00  1.0815210000e+00 -8.1113200000e-01  2.5133370000e+00  2.0240560000e+00 -6.7638200000e-01  2.9650200000e+00  8.8885000000e-01 -1.5703530000e+00
-ENERGY -1.526613803141e+02
-FORCES  1.2240300000e-02  3.9502000000e-03 -1.8868000000e-03 -8.5496000000e-03 -2.9746000000e-03  3.2854000000e-03 -8.1000000000e-05  9.5420000000e-04 -2.5609000000e-03 -1.9591000000e-03  4.9160000000e-04 -1.5390000000e-03  3.5110000000e-04 -4.9063000000e-03 -1.1287000000e-03 -2.0016000000e-03  2.4850000000e-03  3.8300000000e-03
-
-JOB 291
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3797900000e-01  9.1634300000e-01  2.3981000000e-01  5.2975000000e-02 -8.5550000000e-03 -9.5569500000e-01  1.3382590000e+00 -2.0920060000e+00  1.7254300000e+00  7.0118900000e-01 -2.8052560000e+00  1.6848480000e+00  9.6033700000e-01 -1.4013990000e+00  1.1809410000e+00
-ENERGY -1.526618749375e+02
-FORCES  3.2850000000e-04  4.3238000000e-03 -3.5949000000e-03 -5.3850000000e-04 -4.4054000000e-03 -1.8712000000e-03 -5.5140000000e-04  7.5500000000e-04  4.5354000000e-03 -6.3265000000e-03  3.9513000000e-03 -5.1456000000e-03  2.1496000000e-03  1.8622000000e-03 -1.4800000000e-05  4.9384000000e-03 -6.4869000000e-03  6.0910000000e-03
-
-JOB 292
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7009000000e-02  2.4891500000e-01 -9.2411200000e-01 -5.5677500000e-01 -7.7703300000e-01  4.9529000000e-02 -6.1009300000e-01 -1.8593100000e-01  3.4970980000e+00 -9.3250600000e-01 -1.0666860000e+00  3.3059120000e+00 -9.8423300000e-01  3.6166800000e-01  2.8068910000e+00
-ENERGY -1.526545663948e+02
-FORCES -8.8790000000e-04 -2.5305000000e-03 -5.0331000000e-03  6.8500000000e-05 -1.2062000000e-03  4.1430000000e-03  1.4977000000e-03  3.7875000000e-03  8.0560000000e-04 -1.4858000000e-03 -2.4550000000e-04 -4.9555000000e-03  9.7270000000e-04  3.1286000000e-03  4.1810000000e-04 -1.6530000000e-04 -2.9339000000e-03  4.6219000000e-03
-
-JOB 293
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3160700000e-01  5.7530500000e-01 -2.2362400000e-01  7.6150000000e-03 -3.7202000000e-02  9.5644600000e-01  1.6935630000e+00 -1.9940510000e+00 -1.8268450000e+00  1.7409670000e+00 -2.8798990000e+00 -2.1863720000e+00  1.5244300000e+00 -2.1225830000e+00 -8.9351500000e-01
-ENERGY -1.526556243625e+02
-FORCES  2.2584000000e-03  4.7178000000e-03  1.0056000000e-03 -3.3652000000e-03 -2.5700000000e-03  2.4193000000e-03  6.1190000000e-04 -1.2451000000e-03 -4.4727000000e-03 -2.9234000000e-03 -2.9222000000e-03  3.2694000000e-03 -4.9250000000e-04  3.4573000000e-03  1.7247000000e-03  3.9109000000e-03 -1.4377000000e-03 -3.9463000000e-03
-
-JOB 294
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8693300000e-01  6.0374900000e-01 -2.8256400000e-01  3.9946000000e-02  1.0961300000e-01  9.5006400000e-01 -1.9517700000e-01 -2.7759840000e+00 -4.2199900000e-01 -1.1271000000e-01 -1.9341190000e+00  2.5992000000e-02 -5.7427000000e-02 -2.5703050000e+00 -1.3466360000e+00
-ENERGY -1.526586639171e+02
-FORCES -3.7258000000e-03  9.6840000000e-04 -3.0300000000e-05  3.9174000000e-03 -2.3083000000e-03  1.7703000000e-03 -1.1217000000e-03 -3.3969000000e-03 -5.4354000000e-03  1.7314000000e-03  1.4320600000e-02 -2.2910000000e-03  1.7910000000e-04 -7.2726000000e-03  4.4932000000e-03 -9.8040000000e-04 -2.3111000000e-03  1.4932000000e-03
-
-JOB 295
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2859800000e-01 -5.1270800000e-01 -3.5001100000e-01  7.6797500000e-01 -5.5728700000e-01 -1.2600700000e-01 -1.3100150000e+00 -2.1351340000e+00 -1.3534600000e+00 -1.3864530000e+00 -2.1714670000e+00 -2.3069120000e+00 -2.0926050000e+00 -2.5833570000e+00 -1.0327090000e+00
-ENERGY -1.526604583564e+02
-FORCES -3.0561000000e-03 -1.1072600000e-02 -6.0351000000e-03  1.2931000000e-03  6.6849000000e-03  4.6654000000e-03 -5.7610000000e-04  2.8264000000e-03  8.6800000000e-04 -1.3776000000e-03 -8.0110000000e-04 -2.4911000000e-03 -6.2100000000e-05 -6.1250000000e-04  4.8961000000e-03  3.7787000000e-03  2.9748000000e-03 -1.9033000000e-03
-
-JOB 296
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2601400000e-01  6.7502200000e-01  4.2882000000e-01 -8.9992800000e-01  1.9480600000e-01  2.6155500000e-01 -2.5771230000e+00  9.1989300000e-01  1.0707150000e+00 -2.2342140000e+00  9.0968000000e-01  1.9643250000e+00 -3.1044930000e+00  1.2362500000e-01  1.0069200000e+00
-ENERGY -1.526597533420e+02
-FORCES -8.2093000000e-03  7.0679000000e-03  3.3703000000e-03 -1.5102000000e-03 -2.4470000000e-03 -4.9720000000e-04  8.1198000000e-03 -6.1078000000e-03 -1.3715000000e-03 -3.2315000000e-03 -1.7729000000e-03  4.6721000000e-03  1.0800000000e-05 -5.3250000000e-04 -5.9838000000e-03  4.8203000000e-03  3.7923000000e-03 -1.8990000000e-04
-
-JOB 297
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8029000000e-02 -9.2373700000e-01 -2.4931200000e-01 -2.6779800000e-01 -7.4630000000e-03  9.1894500000e-01 -2.6781000000e-01 -2.9396690000e+00 -7.4488200000e-01  4.6133400000e-01 -3.3342210000e+00 -2.6643700000e-01 -6.1173000000e-02 -3.0934840000e+00 -1.6667680000e+00
-ENERGY -1.526608051209e+02
-FORCES -3.0599000000e-03 -8.6661000000e-03  4.6290000000e-04  3.4392000000e-03  9.4626000000e-03  2.7422000000e-03  1.3682000000e-03 -1.0440000000e-04 -2.6875000000e-03  2.2478000000e-03 -5.3429000000e-03 -3.4218000000e-03 -3.5580000000e-03  3.7931000000e-03 -2.1699000000e-03 -4.3730000000e-04  8.5770000000e-04  5.0741000000e-03
-
-JOB 298
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9244400000e-01  3.0823900000e-01  4.3960600000e-01  2.6196300000e-01 -1.1620000000e-01 -9.1329300000e-01 -3.4612640000e+00 -7.0168400000e-01 -6.2685600000e-01 -3.0190980000e+00 -1.4467200000e-01  1.3815000000e-02 -4.3872750000e+00 -4.7376300000e-01 -5.4447400000e-01
-ENERGY -1.526566399622e+02
-FORCES  5.0645000000e-03 -6.1000000000e-06 -2.7437000000e-03 -3.2811000000e-03 -1.2372000000e-03 -1.9082000000e-03 -2.4620000000e-04  1.0058000000e-03  4.2000000000e-03 -4.1250000000e-04  3.2580000000e-03  3.6417000000e-03 -4.7948000000e-03 -2.1899000000e-03 -2.9244000000e-03  3.6701000000e-03 -8.3050000000e-04 -2.6540000000e-04
-
-JOB 299
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3366200000e-01  1.4705000000e-01  1.5127200000e-01  4.1651200000e-01  8.2458600000e-01  2.5061500000e-01 -8.2434100000e-01  3.5525610000e+00  1.1723710000e+00 -4.8555000000e-02  3.0964330000e+00  1.4984630000e+00 -8.2637700000e-01  3.3796620000e+00  2.3091800000e-01
-ENERGY -1.526532749416e+02
-FORCES -2.8951000000e-03  3.0539000000e-03  2.2289000000e-03  4.5049000000e-03 -6.4690000000e-04 -1.3268000000e-03 -1.4094000000e-03 -2.0391000000e-03 -9.7840000000e-04  3.2011000000e-03 -2.3940000000e-04 -2.1187000000e-03 -3.6212000000e-03  4.4110000000e-04 -2.6459000000e-03  2.1960000000e-04 -5.6940000000e-04  4.8410000000e-03
-
-JOB 300
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1871600000e-01 -1.5924900000e-01  7.8854600000e-01 -7.5936500000e-01  4.9464300000e-01  3.0809900000e-01 -9.2107700000e-01 -2.6775180000e+00  1.9597950000e+00 -9.9515600000e-01 -2.5868960000e+00  2.9098120000e+00 -4.3294000000e-02 -2.3549330000e+00  1.7556680000e+00
-ENERGY -1.526527333548e+02
-FORCES -3.3378000000e-03  1.4021000000e-03  4.6804000000e-03 -1.4163000000e-03 -1.5024000000e-03 -2.6570000000e-03  3.8635000000e-03 -9.5960000000e-04 -1.6252000000e-03  3.4020000000e-03  6.4960000000e-04  1.5410000000e-03  3.1680000000e-04  4.8960000000e-04 -4.3885000000e-03 -2.8283000000e-03 -7.9300000000e-05  2.4494000000e-03
-
-JOB 301
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4341900000e-01 -5.2381000000e-01  2.9863700000e-01 -2.0500300000e-01  2.1006700000e-01 -9.1108600000e-01 -1.6971610000e+00  2.1016260000e+00  1.7815760000e+00 -1.7926590000e+00  3.0518100000e+00  1.8468600000e+00 -1.3980430000e+00  1.9515460000e+00  8.8478400000e-01
-ENERGY -1.526563739429e+02
-FORCES -2.0747000000e-03 -5.1277000000e-03 -1.5675000000e-03  3.3170000000e-03  3.3387000000e-03 -2.4776000000e-03  3.2000000000e-06  9.7110000000e-04  5.0829000000e-03  3.4565000000e-03  1.9454000000e-03 -3.5629000000e-03  6.5730000000e-04 -3.7522000000e-03 -7.5860000000e-04 -5.3594000000e-03  2.6247000000e-03  3.2837000000e-03
-
-JOB 302
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7285800000e-01  3.9109500000e-01  3.7356000000e-02  6.7408000000e-02 -7.8915100000e-01  5.3752100000e-01  1.8172370000e+00 -2.4367890000e+00  1.2549890000e+00  1.4619390000e+00 -3.2523820000e+00  9.0171300000e-01  1.6136690000e+00 -2.4713060000e+00  2.1896550000e+00
-ENERGY -1.526583942272e+02
-FORCES  7.1064000000e-03 -4.2435000000e-03  2.9194000000e-03 -3.7471000000e-03  5.6230000000e-04 -5.9760000000e-04 -4.8877000000e-03  4.2747000000e-03 -1.7817000000e-03  7.9300000000e-04 -6.0100000000e-03  2.4278000000e-03  9.0890000000e-04  4.3883000000e-03  2.0577000000e-03 -1.7360000000e-04  1.0281000000e-03 -5.0257000000e-03
-
-JOB 303
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8804900000e-01 -7.5820000000e-01 -5.0832300000e-01 -7.7932700000e-01  5.5116200000e-01  7.1429000000e-02 -2.1551230000e+00  1.3131700000e+00  1.0770200000e-01 -2.4798650000e+00  1.5667280000e+00 -7.5629100000e-01 -2.8791130000e+00  8.2776700000e-01  5.0324600000e-01
-ENERGY -1.526550096560e+02
-FORCES -2.3570200000e-02  1.2925500000e-02  4.8390000000e-04 -9.1340000000e-04  2.4062000000e-03  1.0933000000e-03  6.0621000000e-03 -3.6604000000e-03 -7.3870000000e-04  1.3483300000e-02 -1.0781400000e-02 -1.8299000000e-03  1.1711000000e-03 -3.1702000000e-03  5.0315000000e-03  3.7671000000e-03  2.2802000000e-03 -4.0402000000e-03
-
-JOB 304
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2623000000e-01 -6.9717600000e-01  3.9148400000e-01 -2.1853700000e-01 -2.8606000000e-02 -9.3148000000e-01 -2.3937860000e+00 -1.3908490000e+00 -3.5856000000e-02 -2.6126760000e+00 -2.2408800000e+00 -4.1764800000e-01 -2.6019650000e+00 -1.4845200000e+00  8.9372500000e-01
-ENERGY -1.526563827265e+02
-FORCES -1.3183600000e-02 -7.2060000000e-03 -4.6895000000e-03  4.4897000000e-03  1.5235000000e-03  5.3778000000e-03  3.3301000000e-03  1.3555000000e-03  1.0791000000e-03 -6.2450000000e-04 -6.1750000000e-04  1.3476000000e-03  1.7050000000e-03  4.6980000000e-03  1.7914000000e-03  4.2832000000e-03  2.4650000000e-04 -4.9065000000e-03
-
-JOB 305
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7937900000e-01  6.5680900000e-01  3.8620300000e-01 -8.0257100000e-01  4.7928500000e-01 -2.0590600000e-01 -1.2721290000e+00  1.5746910000e+00 -3.3647870000e+00 -1.4068140000e+00  1.8280200000e+00 -4.2779770000e+00 -2.1503140000e+00  1.3792970000e+00 -3.0379160000e+00
-ENERGY -1.526538495865e+02
-FORCES -4.2010000000e-04  5.4946000000e-03 -9.4460000000e-04 -2.2370000000e-03 -2.8705000000e-03 -8.9710000000e-04  2.1295000000e-03 -2.4392000000e-03  1.8886000000e-03 -3.8759000000e-03 -2.2580000000e-04 -3.6505000000e-03  5.1530000000e-04 -9.9640000000e-04  3.8505000000e-03  3.8882000000e-03  1.0374000000e-03 -2.4680000000e-04
-
-JOB 306
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8246900000e-01  7.8857000000e-02 -9.3633300000e-01 -8.0347800000e-01 -3.6449000000e-01  3.7121800000e-01 -8.0173000000e-01  1.3300100000e-01 -2.6900780000e+00 -1.2387340000e+00 -6.7488900000e-01 -2.9594730000e+00 -1.3258890000e+00  8.3153200000e-01 -3.0819240000e+00
-ENERGY -1.526607529437e+02
-FORCES -5.7977000000e-03  4.6080000000e-04 -1.1314300000e-02  3.1623000000e-03 -1.5252000000e-03  9.1596000000e-03  2.0390000000e-03  6.3440000000e-04 -1.2832000000e-03 -2.4729000000e-03  3.1190000000e-04  3.5590000000e-04  1.3036000000e-03  4.6421000000e-03  1.8399000000e-03  1.7656000000e-03 -4.5241000000e-03  1.2422000000e-03
-
-JOB 307
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7848000000e-02  1.6385700000e-01  9.4266000000e-01 -7.7002000000e-01  4.8024100000e-01 -3.0441800000e-01 -4.7452200000e-01 -2.8415360000e+00 -5.5850500000e-01 -4.6183900000e-01 -2.1141910000e+00  6.3620000000e-02 -3.6367000000e-01 -2.4273150000e+00 -1.4142880000e+00
-ENERGY -1.526582041934e+02
-FORCES -1.9915000000e-03  3.8285000000e-03  1.2291000000e-03 -1.2035000000e-03 -2.8853000000e-03 -4.8622000000e-03  3.7946000000e-03 -3.2483000000e-03  1.3970000000e-03  3.4122000000e-03  1.2170800000e-02 -7.3270000000e-04 -2.4604000000e-03 -6.7586000000e-03  2.1887000000e-03 -1.5514000000e-03 -3.1072000000e-03  7.8000000000e-04
-
-JOB 308
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3359000000e-02  8.7585600000e-01  3.7704100000e-01  7.9523000000e-02  1.3656000000e-01 -9.4406500000e-01  2.4785680000e+00  7.4120000000e-01  2.0001120000e+00  2.8302770000e+00  1.6296600000e+00  1.9438040000e+00  3.1250560000e+00  2.5942200000e-01  2.5160350000e+00
-ENERGY -1.526535086126e+02
-FORCES  3.1912000000e-03  4.4278000000e-03 -3.6300000000e-05 -2.6274000000e-03 -2.3251000000e-03 -3.1654000000e-03 -2.3580000000e-04 -5.5320000000e-04  3.5953000000e-03  4.7556000000e-03 -4.1470000000e-04  2.2795000000e-03 -2.6512000000e-03 -3.5738000000e-03 -5.1720000000e-04 -2.4324000000e-03  2.4391000000e-03 -2.1561000000e-03
-
-JOB 309
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9490100000e-01  9.1513700000e-01  2.0191400000e-01  4.2124000000e-02 -4.9279000000e-02 -9.5500200000e-01  5.1153700000e-01  2.7565260000e+00  4.7971500000e-01 -1.7186500000e-01  3.2832980000e+00  6.5341000000e-02  5.1014300000e-01  3.0382460000e+00  1.3945180000e+00
-ENERGY -1.526614811071e+02
-FORCES  3.5392000000e-03  1.1596300000e-02 -4.3880000000e-04 -2.9014000000e-03 -1.0242900000e-02 -1.4725000000e-03 -6.2230000000e-04  8.0540000000e-04  2.6276000000e-03 -2.8240000000e-03  1.9703000000e-03  2.0350000000e-03  3.4964000000e-03 -2.9919000000e-03  2.2562000000e-03 -6.8790000000e-04 -1.1371000000e-03 -5.0075000000e-03
-
-JOB 310
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5900700000e-01 -7.7321900000e-01 -3.2814200000e-01 -4.5730300000e-01  7.3890700000e-01 -4.0139900000e-01 -1.6068720000e+00 -1.9824230000e+00 -1.0118140000e+00 -2.5544500000e+00 -1.8627830000e+00 -9.4845700000e-01 -1.4810560000e+00 -2.9302140000e+00 -9.6605400000e-01
-ENERGY -1.526603072582e+02
-FORCES -9.2373000000e-03 -8.6915000000e-03 -6.9249000000e-03  5.8972000000e-03  5.7707000000e-03  3.4300000000e-03  5.3640000000e-04 -1.9212000000e-03  1.3702000000e-03  2.7000000000e-05  1.6190000000e-03  3.0766000000e-03  4.5339000000e-03 -1.5206000000e-03 -8.9000000000e-04 -1.7572000000e-03  4.7436000000e-03 -6.1900000000e-05
-
-JOB 311
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4934100000e-01 -9.1372600000e-01 -2.4297000000e-01 -1.9381500000e-01  3.3989000000e-02  9.3675600000e-01 -3.5395600000e-01 -8.7001500000e-01  2.8702400000e+00 -1.1603780000e+00 -5.1925100000e-01  3.2482350000e+00 -4.9496400000e-01 -1.8162820000e+00  2.8397870000e+00
-ENERGY -1.526593552012e+02
-FORCES -8.3030000000e-04 -5.3740000000e-03  8.8227000000e-03  3.2830000000e-04  2.4220000000e-03 -1.0060000000e-04 -8.4270000000e-04  3.9874000000e-03 -8.1084000000e-03 -2.8583000000e-03 -4.2601000000e-03  2.9922000000e-03  4.0437000000e-03 -1.4900000000e-03 -3.3103000000e-03  1.5930000000e-04  4.7147000000e-03 -2.9560000000e-04
-
-JOB 312
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4914800000e-01  3.9214600000e-01 -2.0347400000e-01  1.0814300000e-01 -3.6406300000e-01  8.7863300000e-01 -2.3255570000e+00  1.4984680000e+00 -1.0256430000e+00 -1.4933190000e+00  1.3830410000e+00 -5.6707000000e-01 -2.1464390000e+00  1.2164330000e+00 -1.9226400000e+00
-ENERGY -1.526592978354e+02
-FORCES  2.8292000000e-03 -2.5705000000e-03  3.5762000000e-03 -5.3447000000e-03 -8.6400000000e-04  6.8790000000e-04  4.2700000000e-04  1.9498000000e-03 -4.3960000000e-03  8.2068000000e-03 -6.7346000000e-03  9.0420000000e-04 -5.1959000000e-03  6.4965000000e-03 -2.9072000000e-03 -9.2250000000e-04  1.7228000000e-03  2.1350000000e-03
-
-JOB 313
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6847500000e-01 -5.7068200000e-01  2.8600000000e-04 -2.4585800000e-01  7.3331600000e-01 -5.6394500000e-01 -2.3703540000e+00 -1.6855800000e+00 -7.3731400000e-01 -3.2054620000e+00 -1.7533720000e+00 -2.7446400000e-01 -1.9599540000e+00 -2.5421510000e+00 -6.1860600000e-01
-ENERGY -1.526608395985e+02
-FORCES -9.0773000000e-03 -1.9242000000e-03 -4.4988000000e-03  8.3379000000e-03  2.5577000000e-03  3.5085000000e-03  1.4573000000e-03 -1.4607000000e-03  2.0819000000e-03 -3.4158000000e-03 -4.7401000000e-03  4.0620000000e-04  4.3694000000e-03  4.9400000000e-05 -2.2244000000e-03 -1.6716000000e-03  5.5179000000e-03  7.2660000000e-04
-
-JOB 314
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8921000000e-01  4.9359900000e-01  2.2302500000e-01  7.0044200000e-01  4.3476200000e-01  4.8641000000e-01  8.9055000000e-02 -2.5102130000e+00  8.0738900000e-01 -2.3707600000e-01 -1.6131310000e+00  7.3587600000e-01  8.5760400000e-01 -2.5323300000e+00  2.3723600000e-01
-ENERGY -1.526564746927e+02
-FORCES  2.1517000000e-03 -4.5040000000e-03  3.5034000000e-03  4.4484000000e-03 -5.1250000000e-03  7.4550000000e-04 -4.1922000000e-03 -3.1468000000e-03 -2.4939000000e-03  1.2218000000e-03  1.8671200000e-02 -9.7201000000e-03 -3.3210000000e-03 -4.5661000000e-03  5.6703000000e-03 -3.0870000000e-04 -1.3293000000e-03  2.2947000000e-03
-
-JOB 315
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2160600000e-01  3.3057400000e-01 -3.6320200000e-01 -3.2338000000e-02  2.4170400000e-01  9.2561600000e-01  1.8193600000e-01  3.4227900000e-01  2.5882300000e+00 -7.2826900000e-01  5.6551600000e-01  2.7829700000e+00  6.9389000000e-01  1.0315930000e+00  3.0112920000e+00
-ENERGY -1.526563155363e+02
-FORCES  2.4210000000e-03  2.7105000000e-03  1.7703200000e-02  1.8944000000e-03 -3.4950000000e-04  4.3851000000e-03 -6.5420000000e-03  6.5500000000e-05 -8.4999000000e-03  7.2580000000e-04  1.5309000000e-03 -6.2742000000e-03  5.5178000000e-03 -3.1920000000e-04 -5.5840000000e-03 -4.0171000000e-03 -3.6382000000e-03 -1.7301000000e-03
-
-JOB 316
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8908100000e-01  7.4257600000e-01 -5.7363900000e-01 -3.3203800000e-01 -7.6137500000e-01 -4.7570100000e-01 -9.9815000000e-02  6.9466600000e-01  2.5370820000e+00 -1.9837100000e-01  3.1985700000e-01  1.6618470000e+00  3.1140000000e-02  1.6304380000e+00  2.3840640000e+00
-ENERGY -1.526575924063e+02
-FORCES -1.8513000000e-03  2.9356000000e-03  6.6508000000e-03  7.3640000000e-04 -4.1638000000e-03  3.1418000000e-03  1.5062000000e-03  4.8898000000e-03  1.9539000000e-03  1.5449000000e-03 -3.5255000000e-03 -1.8573300000e-02 -1.3204000000e-03  2.0254000000e-03  7.4343000000e-03 -6.1580000000e-04 -2.1615000000e-03 -6.0750000000e-04
-
-JOB 317
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2679900000e-01 -2.6869000000e-02 -8.9928400000e-01 -8.7035400000e-01 -3.9536400000e-01 -4.9029000000e-02  2.1278560000e+00 -2.0750920000e+00 -2.5743300000e-01  3.0103630000e+00 -1.8461030000e+00 -5.4894400000e-01  1.5523900000e+00 -1.4946920000e+00 -7.5563700000e-01
-ENERGY -1.526497621478e+02
-FORCES -2.9430000000e-03 -1.8340000000e-03 -1.9224000000e-03  3.0250000000e-03 -5.1629000000e-03  4.6633000000e-03  4.5281000000e-03  1.9463000000e-03  2.1000000000e-05 -1.5922000000e-03  5.6879000000e-03  1.7940000000e-04 -4.2437000000e-03 -2.0560000000e-04  1.0638000000e-03  1.2258000000e-03 -4.3160000000e-04 -4.0050000000e-03
-
-JOB 318
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6810000000e-02  9.4919100000e-01 -1.1435700000e-01 -8.6464600000e-01 -2.4494600000e-01  3.2957800000e-01  3.4679830000e+00  2.8344960000e+00  1.2487030000e+00  4.3176760000e+00  2.5107540000e+00  1.5477760000e+00  3.4923620000e+00  2.7294160000e+00  2.9760100000e-01
-ENERGY -1.526543981022e+02
-FORCES -3.5783000000e-03  3.1998000000e-03  1.6444000000e-03  4.6500000000e-05 -4.0341000000e-03 -3.0020000000e-04  3.4147000000e-03  8.8250000000e-04 -1.4486000000e-03  3.8344000000e-03 -2.5165000000e-03 -2.4693000000e-03 -3.2899000000e-03  1.6133000000e-03 -1.2143000000e-03 -4.2740000000e-04  8.5500000000e-04  3.7881000000e-03
-
-JOB 319
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2837300000e-01 -1.0423200000e-01  6.1224300000e-01  3.3832800000e-01 -3.2734200000e-01 -8.3343500000e-01  8.3925600000e-01  2.8411610000e+00  3.7955900000e-01  5.7486400000e-01  2.0823490000e+00 -1.4057000000e-01  5.3763700000e-01  2.6415170000e+00  1.2657870000e+00
-ENERGY -1.526585607068e+02
-FORCES  4.0219000000e-03 -4.4065000000e-03  4.0390000000e-04 -4.0372000000e-03  2.4397000000e-03 -3.2144000000e-03 -1.2157000000e-03  3.5130000000e-03  4.1507000000e-03 -6.6246000000e-03 -8.5683000000e-03  5.2460000000e-04  5.3099000000e-03  6.1681000000e-03  2.4200000000e-05  2.5458000000e-03  8.5380000000e-04 -1.8889000000e-03
-
-JOB 320
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4885700000e-01 -9.4220500000e-01  7.9519000000e-02 -7.9380100000e-01  1.6143400000e-01  5.0995200000e-01 -2.5827380000e+00  3.2167000000e-02  1.2298100000e+00 -2.5576620000e+00 -1.7345000000e-02  2.1854000000e+00 -2.8686880000e+00 -8.3800200000e-01  9.5183600000e-01
-ENERGY -1.526599295369e+02
-FORCES -1.0489100000e-02 -1.3811000000e-03  5.6405000000e-03 -1.1612000000e-03  2.4532000000e-03 -1.5810000000e-04  9.8454000000e-03 -1.0070000000e-03 -3.4302000000e-03 -2.1141000000e-03 -3.7261000000e-03  1.3766000000e-03  9.7630000000e-04 -4.9000000000e-04 -5.5235000000e-03  2.9427000000e-03  4.1511000000e-03  2.0947000000e-03
-
-JOB 321
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6440900000e-01 -4.0619000000e-01 -6.3550000000e-02 -5.9372800000e-01 -6.3538700000e-01 -4.0000400000e-01  2.7981760000e+00 -8.2933600000e-01 -5.8430900000e-01  3.1700800000e+00 -1.2326700000e-01 -5.5740000000e-02  3.0707220000e+00 -1.6316080000e+00 -1.3898900000e-01
-ENERGY -1.526606112978e+02
-FORCES  6.8494000000e-03 -5.2331000000e-03 -4.5520000000e-03 -8.6530000000e-03  3.4700000000e-03  4.9108000000e-03  2.0169000000e-03  1.5994000000e-03  1.5293000000e-03  6.0367000000e-03  2.9500000000e-04  2.0096000000e-03 -3.5791000000e-03 -4.4808000000e-03 -2.0644000000e-03 -2.6710000000e-03  4.3495000000e-03 -1.8332000000e-03
-
-JOB 322
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5527100000e-01 -6.7001300000e-01  1.9476800000e-01 -5.1095200000e-01  7.8353700000e-01 -2.0305100000e-01  7.5360300000e-01  2.2545900000e-01  3.1462170000e+00 -1.3592400000e-01 -6.3068000000e-02  3.3504850000e+00  7.4464500000e-01  3.8056300000e-01  2.2017090000e+00
-ENERGY -1.526587627820e+02
-FORCES -5.6878000000e-03 -9.7060000000e-04 -4.0552000000e-03  3.0429000000e-03  3.9863000000e-03  2.9120000000e-04  2.5977000000e-03 -3.8726000000e-03  2.3012000000e-03 -3.1889000000e-03 -8.9640000000e-04 -6.6616000000e-03  2.6801000000e-03  7.6870000000e-04 -6.4960000000e-04  5.5600000000e-04  9.8460000000e-04  8.7740000000e-03
-
-JOB 323
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1881400000e-01  2.2700200000e-01  1.4312000000e-01  1.6617400000e-01  2.3604700000e-01 -9.1263400000e-01  1.2398750000e+00  7.1298200000e-01 -2.4010810000e+00  1.3050750000e+00  1.4993250000e+00 -2.9429710000e+00  1.3437060000e+00 -1.2266000000e-02 -3.0170890000e+00
-ENERGY -1.526603669064e+02
-FORCES  2.7112000000e-03  4.0526000000e-03 -8.9036000000e-03  3.1371000000e-03 -5.5600000000e-05 -1.6742000000e-03 -5.5586000000e-03 -4.5610000000e-03  7.4963000000e-03  1.0038000000e-03  8.5520000000e-04 -1.4387000000e-03  2.4000000000e-06 -4.4812000000e-03  1.5471000000e-03 -1.2960000000e-03  4.1900000000e-03  2.9731000000e-03
-
-JOB 324
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1282000000e-01  5.7919600000e-01 -4.5300700000e-01 -1.8548000000e-02  2.9566200000e-01  9.1020400000e-01 -2.3223680000e+00  1.6240960000e+00 -3.7124700000e-01 -2.7891530000e+00  8.1800500000e-01 -1.5088100000e-01 -2.4106090000e+00  1.7004450000e+00 -1.3213080000e+00
-ENERGY -1.526586418170e+02
-FORCES -8.3133000000e-03  1.0495100000e-02  1.8654000000e-03  4.2858000000e-03 -6.7617000000e-03 -2.8367000000e-03  5.1520000000e-04 -2.5244000000e-03 -1.9977000000e-03 -3.7881000000e-03 -3.1742000000e-03 -7.9660000000e-04  4.1393000000e-03  4.1785000000e-03 -1.5446000000e-03  3.1610000000e-03 -2.2134000000e-03  5.3102000000e-03
-
-JOB 325
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4887600000e-01  4.0557800000e-01  1.7649000000e-01  6.2484600000e-01  7.2401700000e-01  3.9978000000e-02  1.6020110000e+00  2.3729410000e+00  1.1413910000e+00  2.2230180000e+00  2.8575100000e+00  5.9753800000e-01  2.1083680000e+00  2.1141120000e+00  1.9113530000e+00
-ENERGY -1.526605610263e+02
-FORCES  1.4186000000e-03  8.4113000000e-03  3.4056000000e-03  2.1036000000e-03 -2.0399000000e-03 -8.6160000000e-04 -3.5443000000e-03 -6.8702000000e-03 -4.5954000000e-03  4.9521000000e-03  1.6156000000e-03  3.7465000000e-03 -3.1063000000e-03 -3.1900000000e-03  2.1991000000e-03 -1.8238000000e-03  2.0732000000e-03 -3.8943000000e-03
-
-JOB 326
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9681900000e-01 -2.7557000000e-02  3.3344900000e-01  2.3592000000e-01 -9.1847400000e-01 -1.3030100000e-01 -2.6170770000e+00 -1.6982000000e-01  9.6466500000e-01 -3.2421070000e+00  4.1106700000e-01  5.3091500000e-01 -2.6503150000e+00  8.7040000000e-02  1.8861580000e+00
-ENERGY -1.526618850399e+02
-FORCES -1.2292400000e-02 -3.7430000000e-03  3.8289000000e-03  1.0157500000e-02  1.7896000000e-03 -2.8958000000e-03 -8.8580000000e-04  2.4785000000e-03  6.5000000000e-04 -6.2030000000e-04  3.0020000000e-03  7.0830000000e-04  3.4084000000e-03 -2.6866000000e-03  3.0709000000e-03  2.3260000000e-04 -8.4050000000e-04 -5.3623000000e-03
-
-JOB 327
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4611600000e-01  7.3086600000e-01  4.2784100000e-01 -9.2098300000e-01  2.5998500000e-01 -2.0720000000e-02  1.5988710000e+00  2.0593440000e+00  9.2996900000e-01  2.2193240000e+00  2.3522890000e+00  2.6254600000e-01  2.0766150000e+00  2.1433710000e+00  1.7551550000e+00
-ENERGY -1.526617252565e+02
-FORCES  4.9684000000e-03  9.7142000000e-03  4.7788000000e-03 -6.4548000000e-03 -7.0697000000e-03 -3.7771000000e-03  3.1375000000e-03  1.6780000000e-04  5.1550000000e-04  2.0234000000e-03 -2.4502000000e-03 -1.4163000000e-03 -2.2764000000e-03 -7.4800000000e-04  4.4729000000e-03 -1.3982000000e-03  3.8600000000e-04 -4.5739000000e-03
-
-JOB 328
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1846100000e-01  3.7128500000e-01 -3.2939500000e-01  2.3861100000e-01 -4.0490500000e-01  8.3387500000e-01  2.9034990000e+00  9.1043500000e-01 -2.4599000000e-01  2.6069490000e+00  1.7417710000e+00  1.2437600000e-01  2.9386420000e+00  1.0670510000e+00 -1.1896370000e+00
-ENERGY -1.526588075439e+02
-FORCES  1.0268400000e-02 -8.4120000000e-04  2.1620000000e-03 -8.1187000000e-03  1.4787000000e-03 -1.3540000000e-03 -2.2733000000e-03  1.4729000000e-03 -2.0817000000e-03  3.3683000000e-03  4.8958000000e-03 -1.6245000000e-03 -6.0260000000e-04 -5.7792000000e-03 -2.4847000000e-03 -2.6421000000e-03 -1.2270000000e-03  5.3829000000e-03
-
-JOB 329
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5183500000e-01  9.1110900000e-01  2.5111600000e-01 -9.5010600000e-01 -1.0661400000e-01  4.6515000000e-02  3.2893130000e+00 -8.6630000000e-02 -5.6449200000e-01  3.3559170000e+00 -1.0115060000e+00 -8.0197800000e-01  3.0419720000e+00 -9.3500000000e-02  3.6017400000e-01
-ENERGY -1.526546513703e+02
-FORCES -3.1195000000e-03  4.3438000000e-03 -8.5200000000e-05 -9.0510000000e-04 -4.2169000000e-03  3.0850000000e-04  4.2342000000e-03  2.8830000000e-04 -4.5390000000e-04 -3.8258000000e-03 -5.1478000000e-03  2.4782000000e-03  1.1958000000e-03  3.4113000000e-03  7.8830000000e-04  2.4203000000e-03  1.3214000000e-03 -3.0359000000e-03
-
-JOB 330
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6291900000e-01  8.4527100000e-01  2.6465000000e-01  7.1314900000e-01 -6.2245600000e-01  1.4212300000e-01  2.1938780000e+00 -1.7706550000e+00  5.8345900000e-01  2.6414160000e+00 -1.9581800000e+00  1.4085500000e+00  1.6639810000e+00 -2.5498760000e+00  4.1536800000e-01
-ENERGY -1.526602730473e+02
-FORCES  1.0941500000e-02 -2.7277000000e-03  3.3992000000e-03 -1.4756000000e-03 -2.0537000000e-03 -5.1930000000e-04 -8.9485000000e-03  1.1753000000e-03 -3.5992000000e-03 -2.5800000000e-05 -2.5474000000e-03  3.9600000000e-03 -1.7960000000e-03 -1.8840000000e-04 -4.3037000000e-03  1.3044000000e-03  6.3419000000e-03  1.0630000000e-03
-
-JOB 331
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6149600000e-01 -8.2160000000e-01 -1.6800900000e-01 -5.0659500000e-01  6.6072500000e-01 -4.7226600000e-01 -5.5130700000e-01 -2.0433330000e+00  2.5909120000e+00 -4.2440800000e-01 -2.5335900000e+00  1.7786450000e+00 -3.4472400000e-01 -2.6700730000e+00  3.2842740000e+00
-ENERGY -1.526517335073e+02
-FORCES -5.0279000000e-03 -1.8120000000e-04 -1.2287000000e-03  2.6832000000e-03  1.5959000000e-03  4.5100000000e-04  2.3789000000e-03 -2.5859000000e-03  1.9090000000e-03  2.6182000000e-03 -4.3086000000e-03 -1.6950000000e-04 -1.7286000000e-03  2.4763000000e-03  1.8580000000e-03 -9.2390000000e-04  3.0036000000e-03 -2.8198000000e-03
-
-JOB 332
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2644500000e-01 -6.2169100000e-01 -4.4829000000e-02  7.4982800000e-01 -4.8146700000e-01 -3.4954100000e-01  6.2959900000e-01  1.1636300000e-01  2.7262150000e+00  6.2663400000e-01  4.8899000000e-02  1.7714000000e+00  2.1001100000e-01 -6.9038400000e-01  3.0251070000e+00
-ENERGY -1.526581287549e+02
-FORCES -2.6432000000e-03 -3.1031000000e-03 -6.1850000000e-04  4.7456000000e-03  2.5029000000e-03  8.7540000000e-04 -3.7977000000e-03  2.4418000000e-03  5.6447000000e-03 -4.9005000000e-03 -1.6663000000e-03 -1.2654000000e-02  5.6944000000e-03 -2.3087000000e-03  8.4551000000e-03  9.0130000000e-04  2.1335000000e-03 -1.7028000000e-03
-
-JOB 333
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9591800000e-01 -2.7743100000e-01  5.9578600000e-01  2.7602300000e-01 -3.2222800000e-01 -8.5802800000e-01 -4.8910300000e-01 -2.6767800000e+00  1.7964440000e+00 -1.2462880000e+00 -2.9127350000e+00  2.3323800000e+00 -8.1974800000e-01 -2.6824430000e+00  8.9818200000e-01
-ENERGY -1.526563874473e+02
-FORCES  4.8807000000e-03 -1.9068000000e-03  1.4141000000e-03 -2.1801000000e-03  2.5531000000e-03 -4.4161000000e-03 -1.9870000000e-03  1.4930000000e-04  3.6973000000e-03 -5.7489000000e-03  8.3580000000e-04 -2.0759000000e-03  2.9166000000e-03  6.7930000000e-04 -2.2343000000e-03  2.1187000000e-03 -2.3108000000e-03  3.6150000000e-03
-
-JOB 334
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7710700000e-01 -3.3697300000e-01 -1.8265600000e-01 -5.8167600000e-01 -5.4517100000e-01 -5.2978600000e-01  2.7408150000e+00 -5.0797900000e-01 -3.2871400000e-01  3.6414490000e+00 -7.5895400000e-01 -1.2352700000e-01  2.6756850000e+00  4.0434200000e-01 -4.6474000000e-02
-ENERGY -1.526594571848e+02
-FORCES  6.2094000000e-03 -6.2362000000e-03 -3.1023000000e-03 -4.2739000000e-03  8.0537000000e-03  1.2809000000e-03  2.0184000000e-03  1.2758000000e-03  1.6853000000e-03  1.6806000000e-03  9.4100000000e-04  2.6508000000e-03 -3.2005000000e-03  2.9257000000e-03 -1.0492000000e-03 -2.4339000000e-03 -6.9601000000e-03 -1.4655000000e-03
-
-JOB 335
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9932700000e-01 -3.0211900000e-01  1.2715000000e-01 -2.0578800000e-01 -2.3321500000e-01 -9.0525900000e-01  2.4045040000e+00 -1.2326830000e+00  5.7621500000e-01  2.7447910000e+00 -1.1026330000e+00  1.4613830000e+00  3.1035510000e+00 -9.1987900000e-01  2.0040000000e-03
-ENERGY -1.526602094241e+02
-FORCES  1.1208900000e-02 -7.9383000000e-03  1.2965000000e-03 -7.5492000000e-03  6.6862000000e-03 -3.7219000000e-03  1.8428000000e-03  6.0200000000e-04  2.3920000000e-03  5.7530000000e-04  1.6334000000e-03  2.5486000000e-03 -8.9290000000e-04 -3.6770000000e-04 -5.3087000000e-03 -5.1849000000e-03 -6.1560000000e-04  2.7936000000e-03
-
-JOB 336
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8791500000e-01  6.0820000000e-03 -9.3855400000e-01  6.2913800000e-01 -7.1230700000e-01  1.1417500000e-01  3.6490900000e-01 -2.6185350000e+00  7.7571500000e-01 -9.8915000000e-02 -3.1728280000e+00  1.4813400000e-01  1.2520400000e+00 -2.9770070000e+00  8.0271100000e-01
-ENERGY -1.526550627766e+02
-FORCES  1.8693000000e-03 -1.2185800000e-02  1.2607000000e-03  2.9950000000e-04 -1.1375000000e-03  3.2014000000e-03  2.5511000000e-03  7.4918000000e-03 -3.0685000000e-03 -3.6893000000e-03 -1.7337000000e-03 -2.4024000000e-03  3.1962000000e-03  2.5728000000e-03  2.6834000000e-03 -4.2268000000e-03  4.9924000000e-03 -1.6746000000e-03
-
-JOB 337
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6123300000e-01  1.9851600000e-01 -3.6756200000e-01  1.3969000000e-01 -9.9590000000e-03  9.4690000000e-01 -1.3875430000e+00 -2.3571560000e+00 -7.4543000000e-01 -2.1891730000e+00 -1.8435060000e+00 -6.4651500000e-01 -7.0574100000e-01 -1.8173460000e+00 -3.4544900000e-01
-ENERGY -1.526593877114e+02
-FORCES  2.8241000000e-03  1.7772000000e-03 -1.4420000000e-04 -4.2809000000e-03 -1.4669000000e-03  2.7075000000e-03 -1.1773000000e-03 -2.0105000000e-03 -5.6250000000e-03  3.5821000000e-03  1.2977600000e-02  2.5179000000e-03  1.1167000000e-03 -2.7004000000e-03 -7.5100000000e-05 -2.0646000000e-03 -8.5770000000e-03  6.1890000000e-04
-
-JOB 338
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4713000000e-01 -3.1090900000e-01 -8.9326400000e-01  7.9014000000e-02  9.5197000000e-01 -6.1164000000e-02  5.5349200000e-01  2.6667870000e+00  5.5515000000e-01  1.5003460000e+00  2.8038100000e+00  5.2474300000e-01  3.3452700000e-01  2.7099560000e+00  1.4859680000e+00
-ENERGY -1.526612169883e+02
-FORCES  1.8046000000e-03  1.1492100000e-02 -1.7300000000e-04  4.6740000000e-04  2.5997000000e-03  2.6549000000e-03 -2.2251000000e-03 -1.0622100000e-02 -2.4561000000e-03  2.8824000000e-03 -3.0962000000e-03  4.5391000000e-03 -4.7027000000e-03 -5.6450000000e-04  2.6080000000e-04  1.7735000000e-03  1.9110000000e-04 -4.8257000000e-03
-
-JOB 339
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5620900000e-01  6.7570800000e-01  3.8766200000e-01 -8.6961600000e-01  3.9811600000e-01 -3.8789000000e-02  1.3251900000e+00  2.1859620000e+00  1.0937850000e+00  2.0303620000e+00  2.6196100000e+00  6.1325000000e-01  1.6510240000e+00  2.1211420000e+00  1.9914840000e+00
-ENERGY -1.526615474411e+02
-FORCES  3.9468000000e-03  1.2205500000e-02  5.1433000000e-03 -3.6216000000e-03 -8.3637000000e-03 -3.3757000000e-03  2.1175000000e-03 -1.2919000000e-03  5.1700000000e-05  1.8879000000e-03 -9.1200000000e-04 -1.3150000000e-04 -3.2349000000e-03 -2.1967000000e-03  3.4184000000e-03 -1.0957000000e-03  5.5880000000e-04 -5.1063000000e-03
-
-JOB 340
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9642400000e-01 -2.1592900000e-01  6.2016100000e-01  3.2597500000e-01  7.6810000000e-01 -4.6903500000e-01 -2.0547930000e+00 -1.7702220000e+00  1.2599600000e-01 -2.8360740000e+00 -1.4009520000e+00  5.3766600000e-01 -1.4058070000e+00 -1.0679870000e+00  1.6974500000e-01
-ENERGY -1.526603328885e+02
-FORCES -2.1041000000e-03 -1.8737000000e-03 -1.3220000000e-03 -3.5509000000e-03  1.9581000000e-03 -3.3781000000e-03  4.5170000000e-04 -3.4248000000e-03  3.4346000000e-03  7.7486000000e-03  9.9378000000e-03 -7.4580000000e-04  2.9661000000e-03 -1.8800000000e-05 -1.2242000000e-03 -5.5114000000e-03 -6.5786000000e-03  3.2355000000e-03
-
-JOB 341
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0896800000e-01  5.7702300000e-01 -4.6090600000e-01  7.0036600000e-01  5.7990500000e-01  2.9904900000e-01 -1.8057740000e+00  1.6938500000e+00 -1.6986750000e+00 -1.2728950000e+00  2.4862610000e+00 -1.7646900000e+00 -2.1081120000e+00  1.5328090000e+00 -2.5924810000e+00
-ENERGY -1.526601407360e+02
-FORCES -4.2056000000e-03  5.7222000000e-03 -3.9069000000e-03  7.5863000000e-03 -3.3936000000e-03  6.4119000000e-03 -2.6187000000e-03 -1.0809000000e-03 -1.6467000000e-03 -6.0040000000e-04  1.4168000000e-03 -5.9734000000e-03 -1.4353000000e-03 -4.9596000000e-03  1.2272000000e-03  1.2737000000e-03  2.2952000000e-03  3.8880000000e-03
-
-JOB 342
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5792900000e-01  6.7379500000e-01 -5.0252700000e-01  9.2846000000e-01  1.7972900000e-01 -1.4795700000e-01  1.4121760000e+00 -8.5977000000e-02 -3.7195420000e+00  1.7595210000e+00 -8.9915200000e-01 -3.3530310000e+00  1.4962600000e+00  5.5187200000e-01 -3.0108030000e+00
-ENERGY -1.526531669743e+02
-FORCES  7.6110000000e-04  3.5456000000e-03 -1.9925000000e-03  2.7636000000e-03 -2.7134000000e-03  2.2313000000e-03 -3.5908000000e-03 -8.4100000000e-04 -6.6880000000e-04  1.4856000000e-03 -1.7500000000e-03  4.2051000000e-03 -9.2400000000e-04  3.8904000000e-03 -1.6760000000e-03 -4.9570000000e-04 -2.1315000000e-03 -2.0990000000e-03
-
-JOB 343
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1206700000e-01  8.6970600000e-01  3.8377700000e-01  2.2133000000e-02  1.5006600000e-01 -9.4510400000e-01 -4.3702000000e-02  2.7166970000e+00  6.0937600000e-01 -8.3646400000e-01  3.1311180000e+00  2.6876600000e-01 -9.9628000000e-02  2.8347640000e+00  1.5576190000e+00
-ENERGY -1.526599061190e+02
-FORCES  8.2950000000e-04  1.4837600000e-02 -3.8460000000e-04  6.0740000000e-04 -9.3210000000e-03  1.6560000000e-03 -7.8660000000e-04 -8.8250000000e-04  2.1407000000e-03 -4.7444000000e-03 -9.3430000000e-04 -1.3600000000e-04  4.2303000000e-03 -1.4013000000e-03  2.1114000000e-03 -1.3620000000e-04 -2.2985000000e-03 -5.3876000000e-03
-
-JOB 344
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0370000000e-02  4.9051000000e-02 -9.5461400000e-01 -8.5319900000e-01 -3.4116100000e-01  2.6812600000e-01 -2.7237770000e+00 -5.6681500000e-01  4.0401300000e-01 -2.9554390000e+00 -8.4958100000e-01  1.2886640000e+00 -2.9003770000e+00 -1.3301350000e+00 -1.4588500000e-01
-ENERGY -1.526595904026e+02
-FORCES -1.3827700000e-02 -1.0437000000e-03 -6.7450000000e-04  2.0140000000e-04 -8.7600000000e-04  2.4410000000e-03  1.0100400000e-02 -1.1163000000e-03 -4.6510000000e-04 -1.6680000000e-03 -2.2378000000e-03  9.1540000000e-04  2.3767000000e-03  9.5000000000e-04 -5.1660000000e-03  2.8172000000e-03  4.3237000000e-03  2.9491000000e-03
-
-JOB 345
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5211700000e-01  5.0700700000e-01  7.9751900000e-01 -7.6606900000e-01  4.0940500000e-01 -4.0219100000e-01  2.6111640000e+00 -1.7576780000e+00  1.6738100000e+00  2.0055060000e+00 -1.9903270000e+00  2.3775750000e+00  3.2456630000e+00 -2.4741610000e+00  1.6565950000e+00
-ENERGY -1.526532065451e+02
-FORCES -1.2400000000e-03  4.0301000000e-03  1.8896000000e-03 -1.8708000000e-03 -1.9532000000e-03 -3.0338000000e-03  3.3119000000e-03 -2.0050000000e-03  1.5494000000e-03 -3.9010000000e-04 -4.6426000000e-03  1.7165000000e-03  2.7103000000e-03  1.6236000000e-03 -2.2922000000e-03 -2.5213000000e-03  2.9472000000e-03  1.7050000000e-04
-
-JOB 346
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4552500000e-01  4.4867100000e-01 -3.7590000000e-03 -1.7896000000e-02 -4.8517900000e-01 -8.2493200000e-01  2.9145030000e+00 -1.4832150000e+00 -1.6565340000e+00  2.5057670000e+00 -2.3058110000e+00 -1.9257970000e+00  2.2856030000e+00 -8.0807500000e-01 -1.9112940000e+00
-ENERGY -1.526525862230e+02
-FORCES  4.0174000000e-03 -7.7120000000e-04 -1.7856000000e-03 -4.2514000000e-03 -1.4724000000e-03 -1.3775000000e-03  8.8410000000e-04  2.3348000000e-03  2.2024000000e-03 -3.3804000000e-03 -1.8577000000e-03 -2.4912000000e-03  1.5004000000e-03  4.0359000000e-03  9.9880000000e-04  1.2298000000e-03 -2.2694000000e-03  2.4532000000e-03
-
-JOB 347
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7780000000e-01 -3.1426100000e-01 -2.1665300000e-01 -4.5529000000e-02  8.7284400000e-01 -3.9025900000e-01 -7.8638000000e-02  2.5243210000e+00 -1.4184970000e+00 -8.2169900000e-01  3.0914930000e+00 -1.2125650000e+00 -3.7358400000e-01  2.0043120000e+00 -2.1660460000e+00
-ENERGY -1.526608724437e+02
-FORCES  3.5338000000e-03  9.7796000000e-03 -3.6271000000e-03 -2.9824000000e-03  9.7280000000e-04 -1.2230000000e-04 -1.8757000000e-03 -1.0455500000e-02  1.5762000000e-03 -4.1366000000e-03  2.2079000000e-03 -2.7940000000e-03  3.5751000000e-03 -3.5642000000e-03 -1.4287000000e-03  1.8859000000e-03  1.0593000000e-03  6.3958000000e-03
-
-JOB 348
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7485800000e-01 -3.6805700000e-01 -4.2469000000e-01 -5.5353100000e-01 -7.5798300000e-01  1.8787400000e-01 -2.0842750000e+00 -1.8438740000e+00  4.0846300000e-01 -2.5982400000e+00 -1.8553770000e+00  1.2158910000e+00 -2.5086910000e+00 -2.4905180000e+00 -1.5541200000e-01
-ENERGY -1.526608780164e+02
-FORCES -6.1164000000e-03 -8.1612000000e-03  4.8880000000e-04 -3.0605000000e-03  2.3890000000e-04  1.0000000000e-03  7.8959000000e-03  5.8458000000e-03 -3.3000000000e-04 -1.5196000000e-03  5.6610000000e-04 -4.0120000000e-04  1.7225000000e-03 -9.3300000000e-04 -4.4010000000e-03  1.0783000000e-03  2.4434000000e-03  3.6434000000e-03
-
-JOB 349
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5182500000e-01  4.6489000000e-01 -5.2462700000e-01  4.0181000000e-01 -8.1405000000e-02  8.6495900000e-01  1.9710640000e+00 -2.1182220000e+00 -1.8899130000e+00  2.7400420000e+00 -2.1314760000e+00 -2.4597630000e+00  2.2887480000e+00 -1.7471670000e+00 -1.0667320000e+00
-ENERGY -1.526529980012e+02
-FORCES  2.8599000000e-03  1.9065000000e-03  1.1140000000e-04 -1.9431000000e-03 -1.8448000000e-03  3.4708000000e-03 -8.0900000000e-04 -3.2020000000e-04 -4.1709000000e-03  3.6169000000e-03  3.7530000000e-04  1.7679000000e-03 -3.6220000000e-03  5.7460000000e-04  2.5043000000e-03 -1.0270000000e-04 -6.9140000000e-04 -3.6835000000e-03
-
-JOB 350
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5410500000e-01 -2.7932100000e-01 -9.0247600000e-01  5.7527000000e-01 -5.5647700000e-01  5.2500400000e-01  1.5450670000e+00 -1.8703880000e+00  1.1418120000e+00  9.7142000000e-01 -2.6334230000e+00  1.0715360000e+00  2.4261350000e+00 -2.2380720000e+00  1.2108150000e+00
-ENERGY -1.526590400745e+02
-FORCES  1.1509900000e-02 -9.9605000000e-03  3.8757000000e-03 -8.8030000000e-04  2.9700000000e-04  2.1304000000e-03 -7.1849000000e-03  2.4738000000e-03 -1.7507000000e-03 -2.0716000000e-03  3.3657000000e-03 -3.1971000000e-03  3.7455000000e-03  4.2867000000e-03 -4.5240000000e-04 -5.1186000000e-03 -4.6280000000e-04 -6.0590000000e-04
-
-JOB 351
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3545200000e-01 -9.4526800000e-01  6.5975000000e-02 -8.5191500000e-01  1.4955800000e-01  4.1000600000e-01  7.4514100000e-01  4.8672000000e-01 -2.7149970000e+00  1.6887020000e+00  6.4365500000e-01 -2.7509920000e+00  5.0159300000e-01  6.9418600000e-01 -1.8128470000e+00
-ENERGY -1.526608467849e+02
-FORCES -1.9883000000e-03 -4.9818000000e-03 -8.5840000000e-04 -1.1359000000e-03  4.5141000000e-03  1.3712000000e-03  3.8945000000e-03 -1.2503000000e-03 -2.0872000000e-03 -3.8960000000e-04  3.0610000000e-04  9.9243000000e-03 -2.9817000000e-03 -1.0614000000e-03  7.5470000000e-04  2.6010000000e-03  2.4733000000e-03 -9.1046000000e-03
-
-JOB 352
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7235300000e-01  6.7541900000e-01 -4.8674900000e-01 -4.1107700000e-01 -8.2149500000e-01 -2.6905900000e-01 -3.5682290000e+00 -7.4584400000e-01  1.4903780000e+00 -2.7916900000e+00 -1.2416350000e+00  1.7500150000e+00 -3.2215120000e+00  2.7919000000e-02  1.0461820000e+00
-ENERGY -1.526548325089e+02
-FORCES -1.7421000000e-03 -5.3420000000e-04 -4.8082000000e-03  1.2281000000e-03 -3.0255000000e-03  2.9191000000e-03  1.1325000000e-03  3.8430000000e-03  2.3673000000e-03  5.2364000000e-03  1.8666000000e-03  7.6440000000e-04 -3.7609000000e-03  1.1396000000e-03 -1.8523000000e-03 -2.0940000000e-03 -3.2894000000e-03  6.0970000000e-04
-
-JOB 353
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1555900000e-01 -2.5550600000e-01 -1.1269200000e-01 -4.9220000000e-01 -8.1234800000e-01 -1.1858000000e-01  2.5433170000e+00  2.0395910000e+00  2.2451600000e-01  1.7927520000e+00  2.5830100000e+00 -1.5439000000e-02  2.6850460000e+00  2.2227330000e+00  1.1532810000e+00
-ENERGY -1.526580386855e+02
-FORCES  3.3345000000e-03 -3.6378000000e-03 -9.8830000000e-04 -6.1824000000e-03 -1.4769000000e-03  1.4570000000e-04  2.3963000000e-03  3.1612000000e-03  5.8450000000e-04 -3.9034000000e-03  4.1118000000e-03  3.0879000000e-03  4.5310000000e-03 -1.3771000000e-03  9.3970000000e-04 -1.7610000000e-04 -7.8130000000e-04 -3.7694000000e-03
-
-JOB 354
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0016100000e-01  4.5673900000e-01  4.6625700000e-01 -1.5948900000e-01  5.3516800000e-01 -7.7742500000e-01  1.9788610000e+00  1.5011840000e+00  8.8043400000e-01  2.2960960000e+00  1.1179600000e+00  1.6981950000e+00  1.9756360000e+00  2.4445010000e+00  1.0428400000e+00
-ENERGY -1.526573151609e+02
-FORCES  1.4417200000e-02  1.3745700000e-02  3.0381000000e-03 -3.3191000000e-03 -7.3458000000e-03  2.0902000000e-03 -4.7230000000e-04 -1.0592000000e-03  1.6380000000e-03 -7.6353000000e-03 -1.9977000000e-03 -1.4532000000e-03 -4.1891000000e-03  1.7065000000e-03 -4.9831000000e-03  1.1986000000e-03 -5.0497000000e-03 -3.2990000000e-04
-
-JOB 355
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5995700000e-01 -5.7911400000e-01 -6.0769900000e-01  5.1833100000e-01 -3.5276000000e-02  8.0394100000e-01  2.5866190000e+00 -1.3302210000e+00  8.9368300000e-01  2.6838340000e+00 -4.7998100000e-01  1.3224880000e+00  3.0664920000e+00 -1.2400480000e+00  7.0383000000e-02
-ENERGY -1.526548888756e+02
-FORCES  7.3306000000e-03 -7.6434000000e-03  2.3743000000e-03 -2.3033000000e-03  3.3594000000e-03 -1.1483000000e-03 -1.2329000000e-03  4.5298000000e-03 -2.7330000000e-04  3.8238000000e-03  3.8513000000e-03 -1.9239000000e-03 -4.0478000000e-03 -3.5848000000e-03 -2.3218000000e-03 -3.5704000000e-03 -5.1230000000e-04  3.2930000000e-03
-
-JOB 356
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5585400000e-01  9.4378500000e-01  3.4815000000e-02 -8.3058700000e-01 -3.6950300000e-01 -2.9970600000e-01 -1.1438800000e-01 -5.5530800000e-01 -3.3183230000e+00 -1.0640710000e+00 -4.7167100000e-01 -3.4039840000e+00  2.0755700000e-01 -5.6939300000e-01 -4.2196470000e+00
-ENERGY -1.526522628512e+02
-FORCES -3.1608000000e-03  1.8575000000e-03 -3.9788000000e-03  3.6170000000e-04 -3.5846000000e-03  4.5280000000e-04  1.9852000000e-03  1.6642000000e-03  2.2658000000e-03 -1.6433000000e-03  8.4100000000e-05 -4.5596000000e-03  3.7618000000e-03 -2.5710000000e-04  1.7362000000e-03 -1.3047000000e-03  2.3580000000e-04  4.0836000000e-03
-
-JOB 357
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9484500000e-01 -7.7029000000e-02 -3.3098600000e-01  4.7781300000e-01 -7.0732100000e-01 -4.3315600000e-01  2.1789290000e+00 -1.3531170000e+00 -7.9321500000e-01  1.9869040000e+00 -2.2672260000e+00 -5.8401900000e-01  2.2891300000e+00 -1.3425530000e+00 -1.7439910000e+00
-ENERGY -1.526563976744e+02
-FORCES  1.0284400000e-02 -6.1765000000e-03 -4.1803000000e-03  4.8345000000e-03 -1.6057000000e-03 -4.1650000000e-04 -1.0565900000e-02  8.2660000000e-04  1.6508000000e-03  6.7460000000e-04  5.3330000000e-04 -9.2760000000e-04 -2.6485000000e-03  6.7542000000e-03 -1.5834000000e-03 -2.5792000000e-03 -3.3190000000e-04  5.4571000000e-03
-
-JOB 358
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4085800000e-01  1.6767400000e-01  5.3875000000e-02  2.3138300000e-01 -3.4832500000e-01  8.6102500000e-01  6.8062700000e-01 -1.2437860000e+00  2.2075890000e+00  3.3481700000e-01 -1.9198630000e+00  2.7903130000e+00  1.1687160000e+00 -6.5634600000e-01  2.7845760000e+00
-ENERGY -1.526577491917e+02
-FORCES  1.6343000000e-03 -9.4594000000e-03  1.4900700000e-02  2.4454000000e-03 -1.1029000000e-03  7.4160000000e-04  1.1246000000e-03  7.1404000000e-03 -4.1549000000e-03 -4.2244000000e-03  2.1658000000e-03 -6.6242000000e-03  2.9527000000e-03  4.1336000000e-03 -1.0966000000e-03 -3.9327000000e-03 -2.8774000000e-03 -3.7666000000e-03
-
-JOB 359
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0984400000e-01 -4.6139000000e-02  7.3633800000e-01 -8.5422100000e-01 -1.9962800000e-01  3.8299700000e-01 -2.1453270000e+00 -6.9452400000e-01  1.5071100000e+00 -2.0452970000e+00 -9.3881500000e-01  2.4271900000e+00 -2.5448970000e+00  1.7494100000e-01  1.5317330000e+00
-ENERGY -1.526576265229e+02
-FORCES -1.0533500000e-02 -6.6734000000e-03  1.1808500000e-02 -1.0257000000e-03  4.6010000000e-04 -1.7495000000e-03  2.2905000000e-03  6.9050000000e-03 -5.7959000000e-03  5.1414000000e-03  1.7072000000e-03  1.5544000000e-03 -1.0891000000e-03  2.2597000000e-03 -4.2774000000e-03  5.2164000000e-03 -4.6586000000e-03 -1.5401000000e-03
-
-JOB 360
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1331000000e-01  3.4185000000e-02 -2.8448000000e-01  3.4472600000e-01  8.7152900000e-01 -1.9450500000e-01 -2.4294450000e+00 -1.3573450000e+00 -6.7684900000e-01 -3.3373840000e+00 -1.2758580000e+00 -3.8489500000e-01 -2.1686550000e+00 -2.2378790000e+00 -4.0688400000e-01
-ENERGY -1.526604827971e+02
-FORCES -6.6266000000e-03 -7.4690000000e-04 -2.9769000000e-03  8.0281000000e-03  5.3825000000e-03  2.4268000000e-03 -2.6529000000e-03 -2.8929000000e-03  2.7180000000e-04  1.0180000000e-04 -5.1334000000e-03  2.7808000000e-03  4.3460000000e-03 -1.9470000000e-04 -1.0635000000e-03 -3.1963000000e-03  3.5854000000e-03 -1.4390000000e-03
-
-JOB 361
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5020800000e-01 -5.1429500000e-01 -5.9076500000e-01 -1.9407500000e-01  9.1041200000e-01 -2.2297100000e-01 -1.9664580000e+00 -2.2513000000e-02  1.9063840000e+00 -2.0167970000e+00 -9.5036300000e-01  2.1361480000e+00 -1.2625480000e+00  2.6716000000e-02  1.2596090000e+00
-ENERGY -1.526582755897e+02
-FORCES -3.7312000000e-03  1.4529000000e-03 -2.2950000000e-03  1.3797000000e-03  2.9414000000e-03  6.2654000000e-03 -1.3235000000e-03 -6.4108000000e-03  3.9432000000e-03  1.3698300000e-02 -2.9747000000e-03 -8.3777000000e-03  1.3300000000e-04  2.3796000000e-03 -1.8689000000e-03 -1.0156400000e-02  2.6117000000e-03  2.3329000000e-03
-
-JOB 362
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4340000000e-03  7.6929100000e-01  5.6950300000e-01  2.6055700000e-01  3.3372000000e-01 -8.5847100000e-01  5.0469800000e-01  2.7920220000e+00  2.1963600000e-01 -3.3792900000e-01  3.2120980000e+00  4.7163000000e-02  6.7413000000e-01  2.9652420000e+00  1.1456590000e+00
-ENERGY -1.526573394070e+02
-FORCES  4.3243000000e-03  1.3727700000e-02 -2.1490000000e-03 -2.5107000000e-03 -5.2324000000e-03  4.0730000000e-03 -1.7868000000e-03 -3.6753000000e-03  4.4670000000e-04 -1.8704000000e-03  2.1001000000e-03  1.0458000000e-03  4.1978000000e-03 -3.3248000000e-03  1.1711000000e-03 -2.3541000000e-03 -3.5954000000e-03 -4.5876000000e-03
-
-JOB 363
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3028100000e-01 -6.6767000000e-02  8.9592900000e-01  9.4155100000e-01 -1.5305700000e-01  7.9293000000e-02 -1.0405220000e+00  2.5417500000e-01  2.6474240000e+00 -8.0920300000e-01  1.6508000000e-02  3.5453320000e+00 -1.8661910000e+00  7.3123800000e-01  2.7305730000e+00
-ENERGY -1.526611673174e+02
-FORCES -7.5160000000e-04  3.8180000000e-04  1.0407500000e-02  2.5605000000e-03 -9.3020000000e-04 -9.0890000000e-03 -2.6892000000e-03  2.2590000000e-04  1.9510000000e-04 -1.2552000000e-03  1.0537000000e-03  1.0165000000e-03 -1.8518000000e-03  1.9095000000e-03 -3.5662000000e-03  3.9873000000e-03 -2.6408000000e-03  1.0361000000e-03
-
-JOB 364
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3391500000e-01 -4.2709600000e-01  1.9597600000e-01 -2.3723000000e-01 -3.2403600000e-01 -8.6888100000e-01 -1.0713900000e-01  2.7583660000e+00  4.3015800000e-01 -1.6056900000e-01  2.7427520000e+00  1.3857380000e+00 -5.2003000000e-02  1.8366820000e+00  1.7778700000e-01
-ENERGY -1.526612593769e+02
-FORCES  2.0632000000e-03 -1.3910000000e-04 -1.6336000000e-03 -4.5418000000e-03  1.9355000000e-03 -1.3729000000e-03  2.1592000000e-03  1.7887000000e-03  4.5510000000e-03 -3.9840000000e-04 -1.3678600000e-02  8.0920000000e-04  7.3240000000e-04  7.4000000000e-05 -2.4238000000e-03 -1.4700000000e-05  1.0019500000e-02  7.0100000000e-05
-
-JOB 365
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9636500000e-01  5.7812400000e-01  3.1157600000e-01 -7.1848400000e-01  5.9036700000e-01 -2.2689000000e-01  7.3373700000e-01 -9.8693100000e-01 -2.4008810000e+00 -2.2504000000e-02 -1.5479230000e+00 -2.5729820000e+00  5.8505500000e-01 -6.4780900000e-01 -1.5182020000e+00
-ENERGY -1.526596563940e+02
-FORCES  3.5040000000e-04  2.2601000000e-03 -4.7733000000e-03 -3.8280000000e-03 -3.3178000000e-03 -3.5727000000e-03  4.3957000000e-03 -3.4517000000e-03  7.8140000000e-04 -6.3878000000e-03  3.4407000000e-03  1.6207000000e-02  1.3170000000e-03  2.2422000000e-03  5.5090000000e-04  4.1528000000e-03 -1.1735000000e-03 -9.1934000000e-03
-
-JOB 366
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0819500000e-01  2.9758700000e-01  5.3445000000e-02  5.1115800000e-01  7.2261500000e-01  3.6438500000e-01  1.6628560000e+00  2.0843360000e+00 -2.3793740000e+00  2.5184510000e+00  2.5012840000e+00 -2.2776690000e+00  1.7435720000e+00  1.2534970000e+00 -1.9109480000e+00
-ENERGY -1.526563283777e+02
-FORCES -3.9295000000e-03  4.7236000000e-03  2.1899000000e-03  3.7270000000e-03 -1.6895000000e-03  5.3320000000e-04 -7.6790000000e-04 -3.8270000000e-03 -2.4641000000e-03  3.2560000000e-03 -3.1570000000e-03  9.5540000000e-04 -3.7049000000e-03 -1.7578000000e-03  2.2130000000e-04  1.4193000000e-03  5.7076000000e-03 -1.4357000000e-03
-
-JOB 367
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4167800000e-01 -7.2355000000e-01  6.1043800000e-01 -6.4511200000e-01 -3.3448000000e-01 -6.2304600000e-01 -2.9297430000e+00 -2.1919560000e+00  6.3173400000e-01 -2.8450310000e+00 -1.2429030000e+00  7.2313600000e-01 -2.5329200000e+00 -2.3876770000e+00 -2.1706400000e-01
-ENERGY -1.526540415965e+02
-FORCES -3.1980000000e-04 -4.7112000000e-03  1.1240000000e-04 -8.1050000000e-04  3.7692000000e-03 -3.1294000000e-03  1.1781000000e-03  1.1415000000e-03  3.0661000000e-03  6.4100000000e-05  3.0359000000e-03 -2.6440000000e-03  3.0950000000e-04 -5.0474000000e-03 -1.2006000000e-03 -4.2140000000e-04  1.8120000000e-03  3.7955000000e-03
-
-JOB 368
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1435300000e-01  1.8140200000e-01 -9.1508400000e-01 -8.4869900000e-01 -1.2035100000e-01  4.2597800000e-01 -1.3334740000e+00  4.2157500000e-01 -2.3349900000e+00 -2.2369500000e+00  7.3670100000e-01 -2.3093250000e+00 -1.1376270000e+00  3.3005200000e-01 -3.2674590000e+00
-ENERGY -1.526588742595e+02
-FORCES -9.8025000000e-03  1.4405000000e-03 -1.1750700000e-02  5.3990000000e-03 -9.2800000000e-04  4.8233000000e-03  1.8856000000e-03  6.6080000000e-04 -8.7300000000e-05  2.5050000000e-04  5.2300000000e-05  3.7117000000e-03  4.0468000000e-03 -2.0821000000e-03 -1.2854000000e-03 -1.7795000000e-03  8.5650000000e-04  4.5884000000e-03
-
-JOB 369
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2912000000e-02 -9.3538200000e-01 -1.8552200000e-01 -1.4061000000e-02  5.4822000000e-02  9.5552500000e-01 -1.1099020000e+00  1.9498520000e+00 -1.6735300000e+00 -4.3417900000e-01  2.6197650000e+00 -1.7776860000e+00 -7.0842600000e-01  1.2898690000e+00 -1.1083130000e+00
-ENERGY -1.526616902246e+02
-FORCES -1.9884000000e-03 -7.6650000000e-04  1.9810000000e-04 -5.8900000000e-05  4.1875000000e-03  2.5376000000e-03  6.9140000000e-04 -1.4807000000e-03 -4.5587000000e-03  6.5869000000e-03 -6.9816000000e-03  6.6434000000e-03 -1.6740000000e-03 -2.1199000000e-03  9.1090000000e-04 -3.5570000000e-03  7.1611000000e-03 -5.7312000000e-03
-
-JOB 370
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1077700000e-01  6.2142700000e-01  5.1881300000e-01 -8.9795400000e-01  3.2797100000e-01  4.8433000000e-02 -1.0406600000e-01 -2.4502560000e+00  1.3654670000e+00  1.3311900000e-01 -1.5858020000e+00  1.0297660000e+00 -1.4496000000e-02 -2.3717390000e+00  2.3152270000e+00
-ENERGY -1.526596095853e+02
-FORCES -4.2520000000e-03  2.3831000000e-03  5.4570000000e-04 -3.0831000000e-03 -5.4939000000e-03 -7.4030000000e-04  5.3740000000e-03 -7.9600000000e-04  3.6600000000e-04  1.3259000000e-03  1.0345500000e-02 -4.6106000000e-03  8.2350000000e-04 -8.0546000000e-03  7.9595000000e-03 -1.8840000000e-04  1.6159000000e-03 -3.5204000000e-03
-
-JOB 371
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2919000000e-02 -5.6634900000e-01  7.7048000000e-01  8.8500300000e-01 -1.2669700000e-01 -3.4197800000e-01 -3.5209600000e-01  2.5919460000e+00  1.0639230000e+00 -1.2692400000e+00  2.7536640000e+00  8.4272700000e-01 -1.2226800000e-01  1.8031420000e+00  5.7280400000e-01
-ENERGY -1.526613532654e+02
-FORCES  1.7380000000e-03 -2.4277000000e-03  3.5214000000e-03  8.0060000000e-04  2.6579000000e-03 -4.4949000000e-03 -4.5809000000e-03  1.8260000000e-03  2.8076000000e-03 -1.4819000000e-03 -1.1087600000e-02 -6.5492000000e-03  2.4938000000e-03 -6.1880000000e-04  9.6640000000e-04  1.0305000000e-03  9.6501000000e-03  3.7487000000e-03
-
-JOB 372
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2091500000e-01  2.0007000000e-01 -4.4978000000e-01  3.0682200000e-01 -8.0911500000e-01 -4.0917500000e-01  1.2744790000e+00 -2.6085370000e+00 -1.0814000000e-01  1.7111800000e+00 -3.4354320000e+00 -3.1251500000e-01  1.0947600000e+00 -2.6577010000e+00  8.3075100000e-01
-ENERGY -1.526610660520e+02
-FORCES  1.0168000000e-03 -5.5278000000e-03 -4.2250000000e-03  2.9193000000e-03 -1.2765000000e-03  1.2529000000e-03 -4.6431000000e-03  7.4011000000e-03  2.9855000000e-03  1.6003000000e-03 -2.7320000000e-03  2.9385000000e-03 -1.8980000000e-03  2.9894000000e-03  2.3372000000e-03  1.0047000000e-03 -8.5420000000e-04 -5.2891000000e-03
-
-JOB 373
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3537000000e-01  3.7671200000e-01 -6.9835500000e-01 -6.5775000000e-02 -9.4592400000e-01 -1.3089500000e-01  2.4747580000e+00  1.0349480000e+00 -6.0894700000e-01  2.4694360000e+00  1.9750660000e+00 -4.2900200000e-01  1.6285800000e+00  7.2418900000e-01 -2.8700800000e-01
-ENERGY -1.526609993515e+02
-FORCES  1.5775000000e-03 -1.9145000000e-03 -4.4118000000e-03  3.6855000000e-03 -1.7505000000e-03  3.6862000000e-03 -4.2320000000e-04  5.1861000000e-03  9.6000000000e-06 -1.2174300000e-02 -3.8808000000e-03  5.2337000000e-03 -1.7026000000e-03 -2.9308000000e-03 -7.0330000000e-04  9.0370000000e-03  5.2905000000e-03 -3.8144000000e-03
-
-JOB 374
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5400900000e-01 -8.0656900000e-01 -3.7464100000e-01  9.3059800000e-01 -1.8343400000e-01  1.2872800000e-01  2.7019310000e+00 -1.6542900000e-01 -2.9649300000e-01  3.5165010000e+00  3.3659500000e-01 -2.7041900000e-01  2.9541170000e+00 -1.0465420000e+00 -2.0314000000e-02
-ENERGY -1.526573363990e+02
-FORCES  1.2296300000e-02 -7.6540000000e-04 -3.2398000000e-03  2.4532000000e-03  1.8297000000e-03  1.4448000000e-03 -7.3208000000e-03 -4.6579000000e-03  2.5501000000e-03 -6.1730000000e-04  2.7257000000e-03  5.8150000000e-04 -2.8605000000e-03 -4.1079000000e-03 -5.4570000000e-04 -3.9509000000e-03  4.9759000000e-03 -7.9100000000e-04
-
-JOB 375
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6898400000e-01  7.3605000000e-01  3.9308500000e-01  3.0376300000e-01  3.3252200000e-01 -8.4462400000e-01  1.6685050000e+00 -2.0421840000e+00  6.0244800000e-01  1.6758910000e+00 -2.1318110000e+00  1.5554140000e+00  1.1141770000e+00 -1.2794800000e+00  4.3742300000e-01
-ENERGY -1.526597668592e+02
-FORCES  3.1347000000e-03 -1.5700000000e-03  1.5494000000e-03  2.0609000000e-03 -2.7217000000e-03 -3.3796000000e-03 -1.4145000000e-03 -1.5691000000e-03  5.3676000000e-03 -9.8828000000e-03  1.0918100000e-02  4.5340000000e-04 -4.6520000000e-04  7.7680000000e-04 -2.3603000000e-03  6.5668000000e-03 -5.8342000000e-03 -1.6305000000e-03
-
-JOB 376
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0641600000e-01  9.1728900000e-01  1.7945800000e-01  4.7005700000e-01 -4.8842100000e-01  6.7581300000e-01  6.8559400000e-01  2.7686400000e+00 -3.9620600000e-01  9.3072600000e-01  3.2409400000e+00 -1.1918660000e+00  2.5262500000e-01  3.4255150000e+00  1.4903200000e-01
-ENERGY -1.526599355573e+02
-FORCES  3.9706000000e-03  7.5429000000e-03  6.4000000000e-05 -3.2707000000e-03 -8.1716000000e-03  4.3796000000e-03 -1.2662000000e-03  2.5652000000e-03 -2.0222000000e-03 -2.0350000000e-04  2.0750000000e-03 -4.5343000000e-03 -1.2080000000e-03 -1.8700000000e-05  4.4171000000e-03  1.9779000000e-03 -3.9929000000e-03 -2.3041000000e-03
-
-JOB 377
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2939900000e-01 -4.5097500000e-01  7.7739900000e-01  1.4452200000e-01  9.2857000000e-01  1.8194100000e-01 -2.0582020000e+00 -4.2968500000e-01 -2.9663630000e+00 -2.0955290000e+00  1.6068800000e-01 -3.7188910000e+00 -1.8621750000e+00 -1.2872830000e+00 -3.3436300000e+00
-ENERGY -1.526522624662e+02
-FORCES  1.1519000000e-03  2.5859000000e-03  3.5427000000e-03 -1.4403000000e-03  1.5299000000e-03 -3.5282000000e-03 -2.3140000000e-04 -3.7848000000e-03 -5.7130000000e-04  1.7236000000e-03 -1.6328000000e-03 -3.8970000000e-03  9.3700000000e-05 -2.0816000000e-03  3.2944000000e-03 -1.2975000000e-03  3.3835000000e-03  1.1593000000e-03
-
-JOB 378
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4822100000e-01  6.7696300000e-01  5.0700200000e-01 -9.3028500000e-01  1.5190900000e-01  1.6650900000e-01 -2.6170240000e+00 -6.5159700000e-01  4.5448400000e-01 -3.3149230000e+00 -1.1048500000e-01  8.5204000000e-02 -2.5262890000e+00 -3.4368600000e-01  1.3562540000e+00
-ENERGY -1.526560068032e+02
-FORCES -1.0987800000e-02 -1.9751000000e-03  6.1660000000e-04 -4.2396000000e-03 -2.6157000000e-03 -5.4690000000e-04  8.2742000000e-03  5.6376000000e-03  2.9189000000e-03 -1.2831000000e-03 -5.1970000000e-04  2.1087000000e-03  5.5490000000e-03 -1.7892000000e-03  2.0744000000e-03  2.6873000000e-03  1.2620000000e-03 -7.1716000000e-03
-
-JOB 379
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7993700000e-01 -5.4191400000e-01  5.3500800000e-01 -1.7909700000e-01 -5.3272300000e-01 -7.7483000000e-01 -2.4972000000e-01  2.6694610000e+00  4.8320200000e-01 -1.1529800000e-01  1.8390200000e+00  2.6551000000e-02 -4.6116900000e-01  2.4175450000e+00  1.3821230000e+00
-ENERGY -1.526592624251e+02
-FORCES  1.5749000000e-03  2.3697000000e-03  1.4370000000e-03 -3.6631000000e-03  1.5581000000e-03 -2.9582000000e-03  1.6070000000e-03  2.6227000000e-03  4.1529000000e-03  8.0200000000e-05 -1.5613000000e-02  1.2500000000e-05 -6.4640000000e-04  7.3217000000e-03 -1.4269000000e-03  1.0474000000e-03  1.7409000000e-03 -1.2173000000e-03
-
-JOB 380
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2122800000e-01  3.1730100000e-01  5.4349100000e-01  4.0440500000e-01 -1.9528700000e-01 -8.4531200000e-01  5.1482200000e-01 -2.1697100000e-01 -2.5907270000e+00  7.6998600000e-01  4.9814500000e-01 -3.1735920000e+00  7.3201300000e-01 -1.0122070000e+00 -3.0772050000e+00
-ENERGY -1.526589899989e+02
-FORCES  4.0918000000e-03 -8.4380000000e-04 -1.3990500000e-02 -1.3484000000e-03 -6.5790000000e-04 -3.4243000000e-03 -3.6190000000e-04 -9.4740000000e-04  9.0690000000e-03 -1.1477000000e-03  2.5014000000e-03  4.4286000000e-03 -6.1580000000e-04 -4.7929000000e-03  1.5678000000e-03 -6.1800000000e-04  4.7405000000e-03  2.3494000000e-03
-
-JOB 381
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1330000000e-01 -9.1688600000e-01  2.5043000000e-01  4.5907000000e-02  4.8177600000e-01  8.2584300000e-01 -2.6945620000e+00 -2.2835300000e-01 -1.3868100000e-01 -1.7381400000e+00 -2.2424000000e-01 -1.7705000000e-01 -2.9536600000e+00 -9.6716800000e-01 -6.8936300000e-01
-ENERGY -1.526586618854e+02
-FORCES -2.5534000000e-03  3.3600000000e-05  4.9456000000e-03 -4.8951000000e-03  5.2545000000e-03 -2.4070000000e-03 -1.0949000000e-03 -3.6252000000e-03 -4.8738000000e-03  1.5488400000e-02  1.8189000000e-03 -2.4135000000e-03 -1.0078300000e-02 -5.0668000000e-03  2.7684000000e-03  3.1332000000e-03  1.5849000000e-03  1.9803000000e-03
-
-JOB 382
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3241600000e-01 -6.1044000000e-02 -2.0762100000e-01 -1.9345200000e-01  9.3668600000e-01 -3.7769000000e-02 -2.6870010000e+00 -1.0729010000e+00 -5.1784400000e-01 -2.6728050000e+00 -1.8937400000e+00 -2.5651000000e-02 -1.8573410000e+00 -6.4809800000e-01 -3.0004000000e-01
-ENERGY -1.526603207350e+02
-FORCES  3.8927000000e-03  1.2051000000e-03 -2.2131000000e-03 -3.6615000000e-03  1.8533000000e-03  1.6260000000e-03 -1.1090000000e-04 -5.6568000000e-03 -3.0210000000e-04  9.3588000000e-03 -6.5910000000e-04  3.2080000000e-03 -4.6030000000e-04  2.1424000000e-03 -1.6875000000e-03 -9.0186000000e-03  1.1151000000e-03 -6.3130000000e-04
-
-JOB 383
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0632000000e-02  4.7962600000e-01 -8.2681700000e-01 -2.3190000000e-03  6.8077500000e-01  6.7288300000e-01 -2.0538800000e+00 -1.6519530000e+00  6.3684800000e-01 -1.3651480000e+00 -1.0061650000e+00  4.7924500000e-01 -1.9272130000e+00 -1.9206910000e+00  1.5467750000e+00
-ENERGY -1.526595111995e+02
-FORCES -3.5746000000e-03  4.8550000000e-04 -1.6944000000e-03  5.3310000000e-04 -1.6212000000e-03  5.1770000000e-03 -1.9298000000e-03 -5.0605000000e-03 -3.2716000000e-03  1.2938600000e-02  7.8371000000e-03 -2.9489000000e-03 -8.6837000000e-03 -3.9671000000e-03  5.1994000000e-03  7.1640000000e-04  2.3262000000e-03 -2.4615000000e-03
-
-JOB 384
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0121000000e-02  7.7855600000e-01 -5.5648700000e-01 -9.0516800000e-01 -1.1041000000e-01  2.9105400000e-01  3.5110800000e+00  1.5811530000e+00  1.6542100000e-01  3.5371280000e+00  1.5145180000e+00 -7.8910100000e-01  2.6375420000e+00  1.2708480000e+00  4.0390500000e-01
-ENERGY -1.526559990800e+02
-FORCES -6.1969000000e-03  1.4645000000e-03 -8.4540000000e-04  1.7493000000e-03 -3.1700000000e-03  2.9380000000e-03  3.7477000000e-03  5.3890000000e-04 -1.6688000000e-03 -3.6161000000e-03 -3.1897000000e-03 -2.1093000000e-03 -3.6410000000e-04  8.4410000000e-04  3.5635000000e-03  4.6802000000e-03  3.5122000000e-03 -1.8781000000e-03
-
-JOB 385
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1914800000e-01 -2.9400800000e-01  3.9848100000e-01 -4.2497200000e-01 -8.0475800000e-01 -2.9664100000e-01 -1.2454820000e+00 -1.6310060000e+00  2.1980590000e+00 -3.3393500000e-01 -1.4472030000e+00  2.4250610000e+00 -1.4773330000e+00 -9.5048100000e-01  1.5661070000e+00
-ENERGY -1.526555360013e+02
-FORCES  3.3083000000e-03 -6.3644000000e-03 -1.7640000000e-04 -4.1727000000e-03  1.3365000000e-03 -1.1790000000e-04 -3.2640000000e-04  4.9661000000e-03  3.7152000000e-03  4.2868000000e-03  8.5102000000e-03 -2.5911000000e-03 -1.7400000000e-03 -2.2409000000e-03 -1.1055000000e-03 -1.3561000000e-03 -6.2075000000e-03  2.7580000000e-04
-
-JOB 386
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4567100000e-01  5.9227700000e-01 -9.7030000000e-02  6.3260000000e-01  4.9402400000e-01  5.2152600000e-01 -2.2776860000e+00  1.2852620000e+00 -9.9183900000e-01 -2.2253140000e+00  1.9886410000e+00 -3.4473300000e-01 -1.8355980000e+00  1.6367460000e+00 -1.7646580000e+00
-ENERGY -1.526566522184e+02
-FORCES -9.1112000000e-03  4.5120000000e-03 -2.7044000000e-03  9.1814000000e-03  1.0200000000e-03  5.4565000000e-03 -4.1241000000e-03  1.1230000000e-04 -2.4983000000e-03  1.3612000000e-03  2.7296000000e-03 -3.8498000000e-03  4.5082000000e-03 -6.8747000000e-03 -1.8918000000e-03 -1.8156000000e-03 -1.4992000000e-03  5.4877000000e-03
-
-JOB 387
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4280800000e-01 -6.2623900000e-01  6.3760500000e-01  1.0585800000e-01  8.5320200000e-01  4.2079900000e-01  2.2815500000e-01 -2.3311300000e-01 -2.7605030000e+00  2.1011400000e-01  4.8234000000e-02 -1.8457620000e+00  1.0036670000e+00 -7.9048700000e-01 -2.8249020000e+00
-ENERGY -1.526596634145e+02
-FORCES  1.4243000000e-03 -2.1527000000e-03  2.9120000000e-04 -1.3982000000e-03  4.0839000000e-03 -2.1121000000e-03  1.0220000000e-04 -4.7143000000e-03 -2.8159000000e-03  1.1121000000e-03 -9.2740000000e-04  1.3219800000e-02  8.8070000000e-04  2.5089000000e-03 -8.9061000000e-03 -2.1213000000e-03  1.2017000000e-03  3.2310000000e-04
-
-JOB 388
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9039500000e-01 -3.5169200000e-01 -4.0965900000e-01  1.4976700000e-01 -5.6572700000e-01  7.5746600000e-01  2.2700260000e+00  1.2299920000e+00 -1.8318850000e+00  2.5689540000e+00  1.0450220000e+00 -9.4157000000e-01  1.3541850000e+00  1.4884870000e+00 -1.7286980000e+00
-ENERGY -1.526569865098e+02
-FORCES -2.2746000000e-03 -4.9244000000e-03  9.4620000000e-04  3.2932000000e-03  1.9278000000e-03  1.8691000000e-03 -4.7900000000e-04  2.4590000000e-03 -3.2475000000e-03 -6.0064000000e-03 -2.2821000000e-03  7.1099000000e-03  1.8235000000e-03  1.2918000000e-03 -3.1758000000e-03  3.6433000000e-03  1.5279000000e-03 -3.5019000000e-03
-
-JOB 389
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5792800000e-01  7.4242200000e-01  3.9413600000e-01 -8.9704600000e-01  7.0592000000e-02  3.2643000000e-01  1.2348520000e+00  2.0095090000e+00  1.3570310000e+00  1.3397990000e+00  1.9022330000e+00  2.3023930000e+00  1.8326180000e+00  2.7213090000e+00  1.1284510000e+00
-ENERGY -1.526606077281e+02
-FORCES  4.3826000000e-03  1.1330100000e-02  7.0030000000e-03 -4.2071000000e-03 -6.5088000000e-03 -3.9581000000e-03  2.6936000000e-03 -7.4600000000e-05 -6.2500000000e-05 -2.2210000000e-04 -3.5385000000e-03 -1.2732000000e-03 -1.0690000000e-04  2.0214000000e-03 -4.6027000000e-03 -2.5402000000e-03 -3.2295000000e-03  2.8935000000e-03
-
-JOB 390
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0336400000e-01 -1.8042700000e-01 -7.9391600000e-01  6.0639200000e-01 -1.8764200000e-01  7.1645800000e-01 -8.4805600000e-01  2.1670290000e+00  1.7361420000e+00 -1.6181270000e+00  2.7354980000e+00  1.7279350000e+00 -8.8422300000e-01  1.7018740000e+00  9.0034600000e-01
-ENERGY -1.526612563360e+02
-FORCES  5.2450000000e-03 -1.8917000000e-03  1.0250000000e-03 -1.7490000000e-03  4.2980000000e-04  3.8350000000e-03 -2.5764000000e-03  4.8300000000e-04 -4.7891000000e-03 -1.3434000000e-03 -3.2578000000e-03 -5.8082000000e-03  2.5471000000e-03 -2.3377000000e-03 -1.1184000000e-03 -2.1233000000e-03  6.5744000000e-03  6.8557000000e-03
-
-JOB 391
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9323100000e-01 -6.5615500000e-01  7.1572000000e-02 -3.7560900000e-01  6.8684500000e-01 -5.5081200000e-01 -2.2056770000e+00  2.3243120000e+00  1.2471840000e+00 -1.3966330000e+00  2.8353040000e+00  1.2233710000e+00 -2.8362710000e+00  2.8937160000e+00  1.6880480000e+00
-ENERGY -1.526557226393e+02
-FORCES -6.8741000000e-03  5.1850000000e-04 -7.7650000000e-04  3.5734000000e-03  1.3270000000e-03 -9.7180000000e-04  3.3256000000e-03 -2.2601000000e-03  1.4695000000e-03  1.2703000000e-03  4.4773000000e-03  3.0624000000e-03 -4.0696000000e-03 -1.5235000000e-03 -1.0754000000e-03  2.7745000000e-03 -2.5392000000e-03 -1.7082000000e-03
-
-JOB 392
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4573700000e-01  8.9761000000e-02 -1.1729000000e-01 -3.2613600000e-01  8.9975800000e-01  1.7397000000e-02 -1.9075390000e+00  1.7975860000e+00  3.2323270000e+00 -1.9614690000e+00  2.7035320000e+00  3.5366050000e+00 -2.8069060000e+00  1.4737310000e+00  3.2822020000e+00
-ENERGY -1.526545197867e+02
-FORCES  2.1007000000e-03  4.5406000000e-03  1.0984000000e-03 -3.6220000000e-03 -4.2850000000e-04  1.9020000000e-04  1.7032000000e-03 -3.7633000000e-03 -1.6993000000e-03 -4.3317000000e-03  1.5979000000e-03  2.1978000000e-03  4.5560000000e-04 -3.7155000000e-03 -1.6188000000e-03  3.6942000000e-03  1.7688000000e-03 -1.6830000000e-04
-
-JOB 393
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1581500000e-01  1.9696900000e-01 -6.0418900000e-01 -7.0738000000e-01 -3.1739800000e-01 -5.6134000000e-01  2.1952040000e+00 -4.0254400000e-01 -2.5011640000e+00  2.9855860000e+00  3.4991000000e-02 -2.1847910000e+00  2.4928960000e+00 -9.2870600000e-01 -3.2433000000e+00
-ENERGY -1.526582774428e+02
-FORCES  1.5379000000e-03 -1.8155000000e-03 -7.4485000000e-03 -3.0727000000e-03  1.8963000000e-03  5.9290000000e-03  1.3753000000e-03  1.1497000000e-03  2.7860000000e-03  5.0591000000e-03 -2.1425000000e-03 -3.4427000000e-03 -4.3358000000e-03 -1.6654000000e-03 -8.3100000000e-04 -5.6380000000e-04  2.5775000000e-03  3.0073000000e-03
-
-JOB 394
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0608900000e-01  4.4023300000e-01  7.4667100000e-01 -5.4126800000e-01 -6.8580300000e-01  3.9107000000e-01 -1.1008360000e+00 -1.1970270000e+00  2.3071300000e+00 -1.9324300000e+00 -1.1544080000e+00  2.7792180000e+00 -8.6986300000e-01 -2.1259330000e+00  2.3112600000e+00
-ENERGY -1.526588294696e+02
-FORCES -4.5412000000e-03 -2.8182000000e-03  1.2679100000e-02  8.6780000000e-04  5.5490000000e-04 -3.6564000000e-03  2.7344000000e-03 -1.1670000000e-03 -6.6384000000e-03 -1.9049000000e-03 -1.0187000000e-03  1.5300000000e-03  4.3949000000e-03 -8.4970000000e-04 -1.9963000000e-03 -1.5510000000e-03  5.2988000000e-03 -1.9179000000e-03
-
-JOB 395
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2473200000e-01 -5.3144000000e-01  4.9347100000e-01  4.3078300000e-01  8.4935800000e-01 -9.6169000000e-02  2.3832740000e+00 -1.6766520000e+00 -2.2565190000e+00  3.0465620000e+00 -2.2699750000e+00 -2.6090090000e+00  1.9164780000e+00 -2.1988970000e+00 -1.6041440000e+00
-ENERGY -1.526542752110e+02
-FORCES  5.1277000000e-03  2.5421000000e-03  5.7110000000e-04 -2.8165000000e-03  8.7220000000e-04 -2.1688000000e-03 -2.3920000000e-03 -3.1000000000e-03  1.3058000000e-03 -3.2760000000e-04 -4.8662000000e-03  4.7250000000e-04 -2.8273000000e-03  2.6397000000e-03  1.5732000000e-03  3.2357000000e-03  1.9121000000e-03 -1.7539000000e-03
-
-JOB 396
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8571900000e-01 -5.3385000000e-02 -5.4408300000e-01  2.9348100000e-01 -2.6420200000e-01  8.7195100000e-01 -1.6846200000e-01 -7.3001600000e-01  2.6368380000e+00  3.9588000000e-02 -1.6414550000e+00  2.8423300000e+00 -6.8675000000e-02 -2.6759100000e-01  3.4689670000e+00
-ENERGY -1.526595426823e+02
-FORCES  7.3350000000e-04 -2.0943000000e-03  1.0050900000e-02 -2.0618000000e-03 -6.6510000000e-04  3.5674000000e-03  2.4835000000e-03  7.3260000000e-04 -1.0025900000e-02 -7.0630000000e-04  2.6670000000e-04  1.1087000000e-03  2.2000000000e-06  5.1741000000e-03 -1.2089000000e-03 -4.5100000000e-04 -3.4140000000e-03 -3.4923000000e-03
-
-JOB 397
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6039100000e-01  8.1098000000e-02  9.4017500000e-01  8.8310500000e-01  3.4793400000e-01 -1.2369000000e-01 -8.9066400000e-01 -2.4500600000e+00 -8.1758900000e-01 -1.7683950000e+00 -2.3227450000e+00 -1.1776050000e+00 -4.9817900000e-01 -1.5770850000e+00 -8.2769200000e-01
-ENERGY -1.526603589406e+02
-FORCES -6.1670000000e-04 -4.2936000000e-03  3.9900000000e-03  1.9043000000e-03  1.5881000000e-03 -4.4636000000e-03 -4.3381000000e-03 -2.3648000000e-03  1.0312000000e-03  2.6362000000e-03  1.2824100000e-02  2.4083000000e-03  2.6022000000e-03  3.9750000000e-04  1.6073000000e-03 -2.1880000000e-03 -8.1511000000e-03 -4.5732000000e-03
-
-JOB 398
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3371000000e-01  7.5142400000e-01 -5.4495300000e-01 -1.9708300000e-01  2.8101700000e-01  8.9354300000e-01  1.8236590000e+00 -3.0039270000e+00 -1.1828600000e+00  2.4171250000e+00 -3.7332140000e+00 -1.3622220000e+00  1.1757730000e+00 -3.3649790000e+00 -5.7778300000e-01
-ENERGY -1.526533907480e+02
-FORCES -1.0722000000e-03  4.7770000000e-03  5.8750000000e-04  6.9800000000e-04 -2.9207000000e-03  2.5500000000e-03  7.5290000000e-04 -1.6182000000e-03 -3.6175000000e-03 -1.2444000000e-03 -3.6098000000e-03  2.4353000000e-03 -2.3282000000e-03  3.2514000000e-03  6.6980000000e-04  3.1939000000e-03  1.2030000000e-04 -2.6252000000e-03
-
-JOB 399
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2688800000e-01  3.3190900000e-01  3.4975000000e-01 -2.2896700000e-01 -3.5930800000e-01 -8.5714900000e-01 -2.2067000000e+00  8.8528600000e-01  1.5255400000e+00 -2.8823650000e+00  3.8188000000e-01  1.9797340000e+00 -2.6767450000e+00  1.6246390000e+00  1.1399910000e+00
-ENERGY -1.526604942802e+02
-FORCES -9.1564000000e-03  1.9066000000e-03  4.4502000000e-03  7.3848000000e-03 -1.1312000000e-03 -7.6462000000e-03 -4.5060000000e-04  1.5060000000e-03  3.0239000000e-03 -2.4882000000e-03 -1.2132000000e-03  1.5443000000e-03  2.1748000000e-03  3.7356000000e-03 -2.3078000000e-03  2.5355000000e-03 -4.8038000000e-03  9.3560000000e-04
-
-JOB 400
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4133100000e-01 -2.7143700000e-01 -3.6703600000e-01  4.3311000000e-02  9.5604800000e-01  1.8114000000e-02 -1.5630930000e+00  1.1673580000e+00  3.2446820000e+00 -7.2962000000e-01  1.3707200000e+00  2.8201830000e+00 -1.3207530000e+00  6.5583100000e-01  4.0165910000e+00
-ENERGY -1.526536990037e+02
-FORCES  2.9652000000e-03  2.4641000000e-03 -3.0466000000e-03 -3.6608000000e-03  1.1327000000e-03  1.9056000000e-03  3.9100000000e-04 -4.0123000000e-03  1.3773000000e-03  4.6869000000e-03 -3.0727000000e-03  6.2820000000e-04 -3.2820000000e-03  1.0892000000e-03  1.7957000000e-03 -1.1003000000e-03  2.3990000000e-03 -2.6602000000e-03
-
-JOB 401
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8636000000e-02 -3.6031700000e-01 -8.8485300000e-01  4.3847800000e-01 -6.4729500000e-01  5.5224800000e-01  1.8817390000e+00  2.0864390000e+00 -7.7944000000e-02  2.4933120000e+00  1.5457050000e+00  4.2187400000e-01  1.0991060000e+00  1.5427590000e+00 -1.6810600000e-01
-ENERGY -1.526590294503e+02
-FORCES  3.6712000000e-03 -3.1874000000e-03 -7.4500000000e-05  1.0233000000e-03  3.1315000000e-03  5.0417000000e-03 -1.2734000000e-03  3.5827000000e-03 -3.3666000000e-03 -8.4114000000e-03 -1.1292800000e-02  2.8574000000e-03 -1.1984000000e-03  1.1199000000e-03 -1.2879000000e-03  6.1888000000e-03  6.6461000000e-03 -3.1701000000e-03
-
-JOB 402
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2707900000e-01  8.6211200000e-01  2.5693000000e-01  4.7755200000e-01  1.5745900000e-01 -8.1448300000e-01 -2.2288890000e+00 -1.3926590000e+00  6.9295800000e-01 -2.0183200000e+00 -1.6694860000e+00  1.5847310000e+00 -1.5158320000e+00 -8.0195600000e-01  4.5036100000e-01
-ENERGY -1.526585631883e+02
-FORCES -2.2319000000e-03 -1.5219000000e-03 -3.1635000000e-03 -8.9200000000e-04 -7.1790000000e-03 -1.2737000000e-03 -1.7805000000e-03  9.9510000000e-04  4.7673000000e-03  1.3619400000e-02  4.3697000000e-03 -2.7860000000e-03 -2.8120000000e-04  1.6066000000e-03 -2.4621000000e-03 -8.4337000000e-03  1.7296000000e-03  4.9180000000e-03
-
-JOB 403
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2165000000e-02 -9.5517900000e-01  5.3198000000e-02  9.6488000000e-02  1.9179200000e-01 -9.3281200000e-01 -1.4796410000e+00 -2.5103650000e+00 -1.9212060000e+00 -1.3742960000e+00 -2.9850790000e+00 -2.7456940000e+00 -1.0867390000e+00 -3.0831570000e+00 -1.2625940000e+00
-ENERGY -1.526548403374e+02
-FORCES -1.6023000000e-03 -4.0165000000e-03 -5.8454000000e-03  9.7700000000e-04  2.5101000000e-03  1.6922000000e-03  1.1424000000e-03  8.5110000000e-04  4.1810000000e-03  2.9710000000e-04 -5.7054000000e-03 -1.5004000000e-03 -3.8260000000e-04  2.3566000000e-03  3.7058000000e-03 -4.3170000000e-04  4.0041000000e-03 -2.2332000000e-03
-
-JOB 404
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0711500000e-01  2.0822800000e-01 -6.1062400000e-01  2.9671600000e-01 -8.7080800000e-01 -2.6435700000e-01  1.1495770000e+00 -2.3876500000e+00 -5.2400600000e-01  1.5092030000e+00 -2.2116160000e+00  3.4542700000e-01  1.8837100000e+00 -2.2434640000e+00 -1.1210740000e+00
-ENERGY -1.526594751783e+02
-FORCES  3.3246000000e-03 -1.4103900000e-02 -6.0914000000e-03  2.6174000000e-03 -1.5745000000e-03  8.6870000000e-04 -6.2480000000e-04  8.7613000000e-03  6.7856000000e-03  3.3658000000e-03  4.6465000000e-03  1.4133000000e-03 -4.5524000000e-03  2.5251000000e-03 -6.5260000000e-03 -4.1306000000e-03 -2.5450000000e-04  3.5498000000e-03
-
-JOB 405
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6011900000e-01  3.4660300000e-01  2.3726200000e-01 -4.8120000000e-03 -1.9614000000e-02 -9.5698700000e-01  2.5817810000e+00  8.2492800000e-01  4.1862800000e-01  2.6330390000e+00  1.5424750000e+00 -2.1282400000e-01  1.6634250000e+00  5.5554100000e-01  4.0175400000e-01
-ENERGY -1.526598643351e+02
-FORCES  9.7490000000e-04  2.1732000000e-03 -1.0611000000e-03  3.9901000000e-03 -1.8057000000e-03 -2.7502000000e-03  2.0880000000e-04  1.7430000000e-03  5.4230000000e-03 -1.3715500000e-02 -1.8127000000e-03 -1.8201000000e-03 -8.5590000000e-04 -2.4804000000e-03  1.0071000000e-03  9.3976000000e-03  2.1826000000e-03 -7.9870000000e-04
-
-JOB 406
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9811900000e-01  8.2284900000e-01  4.4710300000e-01  8.4667800000e-01 -3.0671100000e-01 -3.2449400000e-01  2.7534550000e+00 -2.7726400000e-01 -1.1065180000e+00  3.2514460000e+00 -1.0940330000e+00 -1.0729940000e+00  2.5117160000e+00 -1.8121500000e-01 -2.0276960000e+00
-ENERGY -1.526613481594e+02
-FORCES  1.0351200000e-02  1.5619000000e-03 -7.0350000000e-04 -1.5157000000e-03 -2.2072000000e-03 -1.2462000000e-03 -9.6174000000e-03 -2.1970000000e-04  1.2797000000e-03  3.3987000000e-03 -1.8785000000e-03 -4.2842000000e-03 -3.0673000000e-03  3.9751000000e-03 -5.7300000000e-04  4.5050000000e-04 -1.2316000000e-03  5.5272000000e-03
-
-JOB 407
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1469200000e-01 -4.2424200000e-01 -2.6930900000e-01 -5.5999000000e-01 -4.1822000000e-02 -7.7517300000e-01 -2.5329460000e+00 -4.9638200000e-01 -1.3793370000e+00 -3.1175850000e+00  1.8998000000e-01 -1.0578760000e+00 -2.8514470000e+00 -6.8937700000e-01 -2.2611210000e+00
-ENERGY -1.526597733352e+02
-FORCES -4.6287000000e-03 -3.3953000000e-03 -5.5780000000e-03 -3.1439000000e-03  1.1644000000e-03  1.6220000000e-04  8.3739000000e-03  3.0508000000e-03  4.0165000000e-03 -5.2173000000e-03  1.3734000000e-03 -1.9610000000e-04  2.8422000000e-03 -3.2860000000e-03 -2.6465000000e-03  1.7738000000e-03  1.0927000000e-03  4.2420000000e-03
-
-JOB 408
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4301800000e-01  8.2485200000e-01  4.2046900000e-01 -9.5552300000e-01 -2.3291000000e-02  5.1623000000e-02  1.1184280000e+00 -1.9313870000e+00  1.4100710000e+00  9.6549600000e-01 -1.1133550000e+00  9.3713600000e-01  1.6884140000e+00 -1.6845800000e+00  2.1383800000e+00
-ENERGY -1.526570677938e+02
-FORCES -2.8635000000e-03 -6.1100000000e-03  5.9872000000e-03  3.1840000000e-04 -6.8216000000e-03  2.0700000000e-05  4.7571000000e-03  2.4185000000e-03 -7.9810000000e-04 -6.5426000000e-03  1.1553000000e-02 -9.0986000000e-03  7.0585000000e-03 -3.2141000000e-03  7.2215000000e-03 -2.7279000000e-03  2.1742000000e-03 -3.3327000000e-03
-
-JOB 409
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5523200000e-01  8.7647000000e-01  1.4779300000e-01  7.5382800000e-01 -5.2095300000e-01 -2.7673600000e-01  2.1471670000e+00 -1.4929820000e+00 -7.9234100000e-01  2.6046600000e+00 -7.1269000000e-01 -1.1055140000e+00  2.2043550000e+00 -2.1127730000e+00 -1.5195420000e+00
-ENERGY -1.526581565593e+02
-FORCES  1.0786200000e-02 -8.0001000000e-03 -2.8258000000e-03  9.2310000000e-04 -3.4684000000e-03 -1.6336000000e-03 -4.2818000000e-03  9.7552000000e-03  1.6023000000e-03 -2.6067000000e-03  6.4390000000e-04 -3.4028000000e-03 -5.9619000000e-03 -2.7277000000e-03  2.8104000000e-03  1.1411000000e-03  3.7972000000e-03  3.4495000000e-03
-
-JOB 410
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4106200000e-01 -8.2577000000e-02 -1.5431900000e-01 -3.9666000000e-01 -6.4566000000e-01 -5.8482200000e-01 -1.5635880000e+00 -2.1397270000e+00 -1.2718110000e+00 -1.9557760000e+00 -2.1093040000e+00 -2.1444480000e+00 -2.2185120000e+00 -2.5793450000e+00 -7.2955300000e-01
-ENERGY -1.526616688276e+02
-FORCES -2.0520000000e-03 -7.0322000000e-03 -4.4992000000e-03 -3.1780000000e-03 -1.3380000000e-04 -1.5600000000e-05  6.0279000000e-03  7.8403000000e-03  3.4097000000e-03 -4.7338000000e-03 -1.6036000000e-03  7.4800000000e-04  1.6342000000e-03 -3.5640000000e-04  4.3054000000e-03  2.3017000000e-03  1.2856000000e-03 -3.9483000000e-03
-
-JOB 411
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8536300000e-01  6.5297800000e-01  6.7490100000e-01 -8.6009200000e-01 -3.4912200000e-01  2.3363800000e-01  9.9656400000e-01  4.7811400000e-01 -2.4114420000e+00  4.7058500000e-01  1.2019890000e+00 -2.7514170000e+00  6.5841300000e-01  3.2983200000e-01 -1.5283230000e+00
-ENERGY -1.526592601519e+02
-FORCES  6.6010000000e-04  1.3314000000e-03 -6.6656000000e-03 -2.2095000000e-03 -3.2577000000e-03 -3.8899000000e-03  4.3134000000e-03  3.0305000000e-03  5.9450000000e-04 -8.2648000000e-03 -2.1996000000e-03  1.4831000000e-02  8.6070000000e-04 -1.8369000000e-03  1.8895000000e-03  4.6401000000e-03  2.9324000000e-03 -6.7594000000e-03
-
-JOB 412
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9461600000e-01 -4.5189800000e-01 -5.9870800000e-01 -7.6850000000e-02 -5.8813700000e-01  7.5128000000e-01 -1.4619090000e+00 -3.3899220000e+00 -4.7428500000e-01 -1.5365110000e+00 -3.5595530000e+00  4.6480600000e-01 -5.7639700000e-01 -3.0440890000e+00 -5.8608600000e-01
-ENERGY -1.526520611534e+02
-FORCES  1.2991000000e-03 -3.3127000000e-03  4.5720000000e-04 -2.7642000000e-03  7.3020000000e-04  2.8909000000e-03  9.3190000000e-04  1.6677000000e-03 -3.3617000000e-03  2.4871000000e-03  9.2640000000e-04  2.9048000000e-03  7.6940000000e-04  1.1852000000e-03 -3.8862000000e-03 -2.7234000000e-03 -1.1968000000e-03  9.9500000000e-04
-
-JOB 413
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9352800000e-01 -3.9035400000e-01 -7.2130800000e-01 -2.5108500000e-01  8.6578800000e-01 -3.2186800000e-01 -2.6120290000e+00  2.0905130000e+00  8.6492100000e-01 -1.9816160000e+00  2.5053940000e+00  1.4537210000e+00 -3.4225780000e+00  2.5825280000e+00  9.9592900000e-01
-ENERGY -1.526552601420e+02
-FORCES -9.8750000000e-04  2.2366000000e-03 -4.5422000000e-03 -2.0306000000e-03  1.4780000000e-03  2.8441000000e-03  3.9531000000e-03 -3.5160000000e-03  1.5218000000e-03 -2.0998000000e-03  3.1802000000e-03  4.2489000000e-03 -2.2748000000e-03 -1.2914000000e-03 -3.7240000000e-03  3.4397000000e-03 -2.0873000000e-03 -3.4860000000e-04
-
-JOB 414
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0912400000e-01  2.6160000000e-01 -8.6731800000e-01 -3.5425700000e-01  6.6405300000e-01  5.9141100000e-01  2.4639290000e+00 -5.2770400000e-01  8.6199700000e-01  2.2314880000e+00 -2.0381000000e-01  1.7322250000e+00  1.7181520000e+00 -2.9086500000e-01  3.1067500000e-01
-ENERGY -1.526573938166e+02
-FORCES  4.2920000000e-03  1.3638000000e-03  2.9484000000e-03  2.3260000000e-03 -8.9410000000e-04  5.0867000000e-03  2.4856000000e-03 -3.4231000000e-03 -3.2090000000e-03 -1.7537400000e-02  3.5110000000e-03 -3.8410000000e-03  3.4020000000e-04 -1.7970000000e-04 -1.8861000000e-03  8.0937000000e-03 -3.7790000000e-04  9.0100000000e-04
-
-JOB 415
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6562800000e-01  7.5948800000e-01  5.5854900000e-01  5.5879000000e-01 -6.8888900000e-01  3.5974700000e-01  3.1196600000e-01  1.1025150000e+00 -2.5338690000e+00 -8.8726000000e-02  1.9705950000e+00 -2.4878850000e+00  2.7928300000e-01  7.7518700000e-01 -1.6349700000e+00
-ENERGY -1.526596608796e+02
-FORCES  2.9364000000e-03 -1.0427000000e-03  8.9270000000e-04 -2.9500000000e-04 -3.2181000000e-03 -5.4211000000e-03 -2.9560000000e-03  4.2394000000e-03 -8.5560000000e-04 -3.1725000000e-03 -4.7795000000e-03  1.1490500000e-02  1.3888000000e-03 -2.6950000000e-03  1.5726000000e-03  2.0982000000e-03  7.4960000000e-03 -7.6791000000e-03
-
-JOB 416
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2901400000e-01 -3.3118000000e-01  3.4537900000e-01  6.7106100000e-01 -4.6813700000e-01  4.9674700000e-01  5.7757400000e-01 -7.5353300000e-01 -2.5449410000e+00  1.3754930000e+00 -1.2095160000e+00 -2.8125920000e+00  6.1482100000e-01 -7.4598500000e-01 -1.5884950000e+00
-ENERGY -1.526564218108e+02
-FORCES -3.2916000000e-03 -1.6047000000e-03 -8.4500000000e-05  5.0178000000e-03  1.5602000000e-03 -1.1295000000e-03 -2.8882000000e-03  4.7800000000e-04 -7.4705000000e-03 -2.4252000000e-03  3.9122000000e-03  1.0971400000e-02 -2.4911000000e-03  1.8150000000e-03  3.8993000000e-03  6.0784000000e-03 -6.1607000000e-03 -6.1862000000e-03
-
-JOB 417
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9092100000e-01 -1.0896100000e-01 -5.2801800000e-01 -6.0972800000e-01  4.6372400000e-01 -5.7395500000e-01 -8.1952100000e-01 -6.3243400000e-01  2.3503660000e+00 -1.6071980000e+00 -1.3491000000e-01  2.5700610000e+00 -6.3826400000e-01 -4.0454200000e-01  1.4385310000e+00
-ENERGY -1.526559177686e+02
-FORCES -1.5363000000e-03 -4.4607000000e-03  1.2226600000e-02 -5.0957000000e-03  2.1656000000e-03  2.6180000000e-04  3.2195000000e-03 -2.4964000000e-03  3.6536000000e-03  6.8858000000e-03  5.0161000000e-03 -1.7233100000e-02  2.3259000000e-03 -4.7410000000e-04 -3.3579000000e-03 -5.7993000000e-03  2.4950000000e-04  4.4490000000e-03
-
-JOB 418
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1241000000e-01 -9.2527000000e-02  6.3256800000e-01  7.1053400000e-01 -5.3125500000e-01  3.5936200000e-01 -3.5073280000e+00 -6.3031500000e-01 -8.1944600000e-01 -3.0932850000e+00 -5.0020000000e-02 -1.4582390000e+00 -3.2245220000e+00 -1.5085430000e+00 -1.0743360000e+00
-ENERGY -1.526570164014e+02
-FORCES -5.0780000000e-04 -2.0982000000e-03  4.7698000000e-03  4.7475000000e-03  4.3240000000e-04 -2.5113000000e-03 -3.0538000000e-03  1.8704000000e-03 -1.4812000000e-03  3.2036000000e-03 -1.0930000000e-03 -5.1658000000e-03 -2.8156000000e-03 -2.3724000000e-03  2.8401000000e-03 -1.5739000000e-03  3.2608000000e-03  1.5485000000e-03
-
-JOB 419
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2768300000e-01 -2.6281500000e-01  6.7318300000e-01  8.1709600000e-01 -4.2970000000e-01  2.5287300000e-01  1.6670870000e+00  2.0453030000e+00  1.7498150000e+00  2.0395440000e+00  1.1663900000e+00  1.8206720000e+00  7.5520000000e-01  1.8999110000e+00  1.4977130000e+00
-ENERGY -1.526545369312e+02
-FORCES  1.1110000000e-03 -4.9018000000e-03  1.3198000000e-03  3.9220000000e-03  3.1465000000e-03 -2.2088000000e-03 -3.2954000000e-03  3.0548000000e-03  7.0700000000e-04 -4.3082000000e-03 -5.1919000000e-03 -4.2780000000e-03 -9.4740000000e-04  1.8268000000e-03 -3.0370000000e-04  3.5179000000e-03  2.0657000000e-03  4.7637000000e-03
-
-JOB 420
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5216800000e-01 -2.5004000000e-02  9.4772000000e-02 -2.7223600000e-01 -9.1500800000e-01  6.9858000000e-02  2.8486260000e+00 -1.9751600000e-01  5.7466000000e-02  2.9648700000e+00  5.5876200000e-01  6.3258600000e-01  3.2732050000e+00  5.6590000000e-02 -7.6192100000e-01
-ENERGY -1.526609300392e+02
-FORCES  1.1298300000e-02 -5.0127000000e-03 -1.4510000000e-04 -9.3054000000e-03  4.2924000000e-03  2.4525000000e-03  6.6610000000e-04  2.6528000000e-03 -3.4050000000e-04  2.6208000000e-03  3.0627000000e-03 -2.6775000000e-03 -3.5580000000e-03 -4.1541000000e-03 -4.0608000000e-03 -1.7219000000e-03 -8.4120000000e-04  4.7713000000e-03
-
-JOB 421
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3264000000e-02 -3.6946800000e-01  8.8271400000e-01  8.6028700000e-01 -2.4556300000e-01 -3.4034800000e-01  2.7864230000e+00 -3.1040200000e-01 -7.4910700000e-01  3.1332970000e+00 -5.5314000000e-01 -1.6075880000e+00  3.2767100000e+00 -8.5170500000e-01 -1.3036500000e-01
-ENERGY -1.526604748774e+02
-FORCES  1.0147500000e-02 -1.7343000000e-03 -6.6850000000e-04  7.0640000000e-04  8.3400000000e-04 -2.6020000000e-03 -9.9713000000e-03 -2.9820000000e-04  2.8121000000e-03  3.4975000000e-03 -1.8594000000e-03 -1.1173000000e-03 -1.2711000000e-03  7.6720000000e-04  4.7667000000e-03 -3.1091000000e-03  2.2907000000e-03 -3.1909000000e-03
-
-JOB 422
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1364400000e-01 -2.7830000000e-03  9.0435200000e-01  6.6967300000e-01  4.8245100000e-01 -4.8478000000e-01  1.1647910000e+00  2.1513760000e+00 -1.2506740000e+00  1.7655550000e+00  2.6070950000e+00 -1.8402790000e+00  4.5879800000e-01  2.7788370000e+00 -1.0954410000e+00
-ENERGY -1.526606476519e+02
-FORCES  7.4151000000e-03  7.4329000000e-03 -3.3289000000e-03 -9.4380000000e-04  7.0960000000e-04 -2.8435000000e-03 -4.0006000000e-03 -6.2101000000e-03  4.2959000000e-03 -3.8084000000e-03  5.2370000000e-04  5.4550000000e-04 -3.5900000000e-03 -1.0224000000e-03  2.9286000000e-03  4.9277000000e-03 -1.4338000000e-03 -1.5977000000e-03
-
-JOB 423
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5110000000e-02 -3.6248900000e-01  8.8475900000e-01  6.3489800000e-01  7.1338000000e-01  6.5009000000e-02  1.8825240000e+00  1.9326940000e+00 -3.9480300000e-01  1.6752800000e+00  2.1601320000e+00 -1.3011990000e+00  2.2958410000e+00  2.7191240000e+00 -3.8532000000e-02
-ENERGY -1.526608104531e+02
-FORCES  9.2902000000e-03  8.1598000000e-03  1.4702000000e-03  9.3560000000e-04  2.0394000000e-03 -2.1184000000e-03 -7.0909000000e-03 -6.5581000000e-03 -7.6300000000e-04 -2.8052000000e-03 -8.6600000000e-05 -1.1431000000e-03  1.2534000000e-03 -2.6240000000e-04  5.5091000000e-03 -1.5832000000e-03 -3.2921000000e-03 -2.9548000000e-03
-
-JOB 424
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9308000000e-01  7.4808400000e-01 -6.9705000000e-02 -2.6476900000e-01 -4.4180400000e-01  8.0680800000e-01  2.7301930000e+00  1.1685110000e+00  1.0145150000e+00  3.6206610000e+00  9.9801400000e-01  1.3214820000e+00  2.3585670000e+00  2.9973900000e-01  8.6167300000e-01
-ENERGY -1.526568905473e+02
-FORCES -4.8790000000e-03  4.2073000000e-03  2.1347000000e-03  1.1956000000e-03 -4.1332000000e-03  1.1660000000e-04  2.8961000000e-03  1.5752000000e-03 -3.2905000000e-03 -4.5170000000e-04 -4.5586000000e-03 -1.6587000000e-03 -3.9936000000e-03  1.7460000000e-04 -1.2758000000e-03  5.2326000000e-03  2.7347000000e-03  3.9737000000e-03
-
-JOB 425
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5207000000e-01  5.2526000000e-02 -5.8979900000e-01 -5.1086800000e-01  7.8639500000e-01 -1.9190800000e-01  1.6586210000e+00  2.7532640000e+00  5.7297300000e-01  9.3641500000e-01  3.2699130000e+00  9.3035600000e-01  1.8420710000e+00  2.0988350000e+00  1.2469920000e+00
-ENERGY -1.526567994756e+02
-FORCES  2.3835000000e-03  6.1010000000e-03 -4.5477000000e-03 -2.9323000000e-03 -2.2402000000e-03  2.5351000000e-03  1.3640000000e-04 -3.6019000000e-03  1.4984000000e-03 -2.2451000000e-03 -1.7635000000e-03  5.7061000000e-03  2.3384000000e-03 -2.3050000000e-03 -2.1511000000e-03  3.1900000000e-04  3.8097000000e-03 -3.0409000000e-03
-
-JOB 426
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8505800000e-01 -7.9313200000e-01  2.2779800000e-01 -6.6173900000e-01 -2.9476700000e-01 -6.2565600000e-01 -2.7622840000e+00 -1.0535250000e+00  1.6392880000e+00 -2.9026370000e+00 -2.6976700000e-01  1.1080100000e+00 -3.5327190000e+00 -1.5968700000e+00  1.4736450000e+00
-ENERGY -1.526545037507e+02
-FORCES -1.1524000000e-03 -6.5818000000e-03  3.4730000000e-04 -6.8540000000e-04  3.5228000000e-03 -1.9452000000e-03  1.8895000000e-03  2.4808000000e-03  1.8645000000e-03 -3.2911000000e-03  2.7637000000e-03 -1.6234000000e-03 -6.3440000000e-04 -4.3065000000e-03  1.2046000000e-03  3.8739000000e-03  2.1210000000e-03  1.5210000000e-04
-
-JOB 427
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1052200000e-01 -4.7697500000e-01  7.6961200000e-01 -3.1605300000e-01 -5.1285900000e-01 -7.4385300000e-01 -6.8297300000e-01 -1.0846820000e+00 -2.5037390000e+00 -1.4714520000e+00 -7.1114100000e-01 -2.8974390000e+00  3.9607000000e-02 -6.8217600000e-01 -2.9855050000e+00
-ENERGY -1.526620001501e+02
-FORCES -3.9718000000e-03 -6.5553000000e-03 -8.2293000000e-03  1.1790000000e-04  8.3290000000e-04 -3.3049000000e-03  3.6899000000e-03  4.8270000000e-03  9.6202000000e-03  3.6160000000e-04  4.4055000000e-03 -2.6312000000e-03  4.2624000000e-03 -1.7228000000e-03  1.6918000000e-03 -4.4600000000e-03 -1.7872000000e-03  2.8534000000e-03
-
-JOB 428
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9020000000e-02  5.6071600000e-01  7.7422600000e-01 -6.5270900000e-01 -6.6306400000e-01  2.2483200000e-01 -1.0128500000e+00 -1.9202460000e+00 -2.2367680000e+00 -6.3550700000e-01 -2.3451480000e+00 -3.0070300000e+00 -1.8199120000e+00 -2.4057820000e+00 -2.0660710000e+00
-ENERGY -1.526534498219e+02
-FORCES -3.3003000000e-03 -2.3805000000e-03  2.0286000000e-03 -2.5710000000e-04 -2.4015000000e-03 -3.6518000000e-03  2.1572000000e-03  3.6904000000e-03  2.0591000000e-03 -2.0270000000e-04 -3.2266000000e-03 -4.3341000000e-03 -2.1109000000e-03  1.6444000000e-03  3.0739000000e-03  3.7138000000e-03  2.6739000000e-03  8.2410000000e-04
-
-JOB 429
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9962800000e-01 -8.3856500000e-01  3.5108900000e-01 -2.3957900000e-01  6.4011600000e-01  6.7013900000e-01  6.9873700000e-01  8.5799000000e-01 -2.6207220000e+00  3.9859500000e-01  7.8906300000e-01 -1.7144130000e+00  5.7295200000e-01  1.7798240000e+00 -2.8457340000e+00
-ENERGY -1.526600260493e+02
-FORCES -1.3048000000e-03 -3.3337000000e-03  8.9840000000e-04  1.0739000000e-03  4.5800000000e-03  5.2090000000e-04  9.3260000000e-04 -2.7286000000e-03 -4.0269000000e-03 -2.7704000000e-03 -1.5630000000e-03  8.4015000000e-03  2.1163000000e-03  5.9068000000e-03 -8.0840000000e-03 -4.7600000000e-05 -2.8614000000e-03  2.2901000000e-03
-
-JOB 430
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9620800000e-01 -7.2992300000e-01  4.7588100000e-01 -3.8392600000e-01 -4.7702000000e-02 -8.7553300000e-01 -1.4044660000e+00 -2.1449060000e+00  1.1271910000e+00 -2.3344680000e+00 -2.1844240000e+00  9.0410600000e-01 -1.3249370000e+00 -2.6761250000e+00  1.9194740000e+00
-ENERGY -1.526607072817e+02
-FORCES -6.4576000000e-03 -1.0201000000e-02  2.8551000000e-03  4.3639000000e-03  7.1417000000e-03 -3.7170000000e-03  3.4340000000e-04  2.5400000000e-04  2.5086000000e-03 -9.4400000000e-04  1.2582000000e-03  9.5030000000e-04  4.5555000000e-03 -5.9170000000e-04  1.3448000000e-03 -1.8612000000e-03  2.1388000000e-03 -3.9417000000e-03
-
-JOB 431
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8270000000e-03 -1.7968300000e-01 -9.4015900000e-01  9.1570100000e-01  1.7415200000e-01  2.1770300000e-01 -1.7812170000e+00 -2.4506490000e+00 -1.5541730000e+00 -2.6281570000e+00 -2.7667530000e+00 -1.2395270000e+00 -1.3861850000e+00 -3.2095730000e+00 -1.9833770000e+00
-ENERGY -1.526550160435e+02
-FORCES  2.0498000000e-03 -1.6374000000e-03 -4.1114000000e-03  2.2419000000e-03  3.0702000000e-03  4.0256000000e-03 -3.5648000000e-03 -1.0128000000e-03 -8.3890000000e-04 -2.8815000000e-03 -4.6582000000e-03  1.2373000000e-03  3.4027000000e-03  7.1390000000e-04 -1.9030000000e-03 -1.2479000000e-03  3.5244000000e-03  1.5904000000e-03
-
-JOB 432
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6524400000e-01  5.5744900000e-01  6.2372300000e-01  3.6680000000e-03 -8.6758600000e-01  4.0436700000e-01  1.0342280000e+00  4.6823100000e-01 -2.5788590000e+00  7.8347400000e-01  3.0174500000e-01 -1.6702130000e+00  6.2898000000e-01 -2.4372900000e-01 -3.0739530000e+00
-ENERGY -1.526608078627e+02
-FORCES  1.6857000000e-03 -1.1043000000e-03  2.0925000000e-03 -1.7837000000e-03 -3.6497000000e-03 -4.0078000000e-03  9.1200000000e-05  4.6519000000e-03 -1.7788000000e-03 -6.9224000000e-03 -4.4119000000e-03  1.0222500000e-02  5.6121000000e-03  2.9927000000e-03 -8.0292000000e-03  1.3170000000e-03  1.5214000000e-03  1.5007000000e-03
-
-JOB 433
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1075100000e-01  7.7218000000e-02  2.8425600000e-01  4.5438000000e-02  5.1841600000e-01 -8.0337500000e-01  1.1931470000e+00  1.4655800000e+00 -2.0415730000e+00  7.3742500000e-01  2.2905410000e+00 -1.8742750000e+00  7.1473100000e-01  1.0706690000e+00 -2.7705410000e+00
-ENERGY -1.526554830130e+02
-FORCES  4.1528000000e-03  5.4794000000e-03 -7.3037000000e-03  3.7385000000e-03  1.5434000000e-03 -2.9674000000e-03 -8.5207000000e-03 -3.5101000000e-03  3.9950000000e-03  3.0210000000e-04  2.3268000000e-03 -1.7561000000e-03  1.7650000000e-04 -6.8925000000e-03  5.2460000000e-04  1.5080000000e-04  1.0530000000e-03  7.5077000000e-03
-
-JOB 434
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6838900000e-01 -7.9098000000e-02 -5.6529000000e-01 -5.9363300000e-01 -6.8637200000e-01 -3.0450700000e-01 -1.1430820000e+00  2.4854320000e+00 -1.0429550000e+00 -2.0627140000e+00  2.5134600000e+00 -7.7890000000e-01 -7.8595200000e-01  1.7226440000e+00 -5.8815500000e-01
-ENERGY -1.526614447113e+02
-FORCES  1.6873000000e-03 -4.5033000000e-03 -3.8066000000e-03 -4.7224000000e-03  6.8790000000e-04  2.7037000000e-03  2.6833000000e-03  4.1320000000e-03  1.3214000000e-03  1.5280000000e-03 -8.1399000000e-03  6.0573000000e-03  2.7884000000e-03 -1.0009000000e-03 -8.7510000000e-04 -3.9646000000e-03  8.8242000000e-03 -5.4006000000e-03
-
-JOB 435
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1754700000e-01 -1.1622000000e-02  9.0291800000e-01  8.1685000000e-02  9.1428400000e-01 -2.7137500000e-01  1.4446590000e+00 -1.6201900000e+00 -1.6114580000e+00  8.0344800000e-01 -2.3302790000e+00 -1.5822550000e+00  1.0636140000e+00 -9.3026500000e-01 -1.0682820000e+00
-ENERGY -1.526598828999e+02
-FORCES  2.9420000000e-03 -8.9170000000e-04 -3.0980000000e-04 -1.2974000000e-03  4.0890000000e-04 -5.5329000000e-03  1.2506000000e-03 -5.9612000000e-03  1.3327000000e-03 -1.2010300000e-02  8.0531000000e-03  1.0201100000e-02  2.0509000000e-03  1.1482000000e-03 -6.3000000000e-05  7.0642000000e-03 -2.7573000000e-03 -5.6280000000e-03
-
-JOB 436
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1426200000e-01 -6.3003300000e-01 -9.5496000000e-02 -2.6653000000e-01  7.4782400000e-01 -5.3474600000e-01 -1.8388250000e+00 -2.1401170000e+00 -2.7894500000e-01 -2.4075580000e+00 -2.1612820000e+00  4.9068200000e-01 -2.4342680000e+00 -2.2490760000e+00 -1.0204340000e+00
-ENERGY -1.526607889827e+02
-FORCES -7.9102000000e-03 -7.2668000000e-03 -3.2264000000e-03  5.5634000000e-03  9.0865000000e-03  2.8691000000e-03 -1.1700000000e-05 -2.8788000000e-03  1.2627000000e-03 -2.9776000000e-03 -1.0294000000e-03 -5.4090000000e-04  2.9851000000e-03  1.2410000000e-03 -4.6868000000e-03  2.3510000000e-03  8.4750000000e-04  4.3224000000e-03
-
-JOB 437
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7415100000e-01 -3.3844200000e-01  1.9377400000e-01  1.3480000000e-03  8.8751100000e-01  3.5854600000e-01  2.6358610000e+00 -1.1120890000e+00  7.7299300000e-01  2.3422590000e+00 -1.7169010000e+00  1.4543390000e+00  2.8918030000e+00 -1.6774770000e+00  4.4253000000e-02
-ENERGY -1.526618771462e+02
-FORCES  9.6421000000e-03  1.3520000000e-04  3.3807000000e-03 -1.0232800000e-02  1.8742000000e-03 -2.9905000000e-03 -8.6000000000e-05 -2.8295000000e-03 -8.5460000000e-04  2.3538000000e-03 -5.6699000000e-03  8.8450000000e-04  8.0550000000e-04  3.4687000000e-03 -4.3057000000e-03 -2.4826000000e-03  3.0212000000e-03  3.8856000000e-03
-
-JOB 438
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3691700000e-01  1.2149100000e-01 -1.5381300000e-01 -4.0273200000e-01  8.0603700000e-01 -3.2302000000e-01  9.9581300000e-01 -3.7381000000e-01 -3.0661710000e+00  1.7587500000e+00  1.5344200000e-01 -2.8291840000e+00  1.0994900000e+00 -1.1839070000e+00 -2.5669460000e+00
-ENERGY -1.526534927532e+02
-FORCES  1.1893000000e-03  4.7308000000e-03 -5.3424000000e-03 -2.3101000000e-03 -1.4417000000e-03  5.9060000000e-04  1.6109000000e-03 -2.6191000000e-03  3.0864000000e-03  1.8143000000e-03 -2.7055000000e-03  3.8880000000e-03 -3.6456000000e-03 -1.5997000000e-03  6.1560000000e-04  1.3413000000e-03  3.6351000000e-03 -2.8382000000e-03
-
-JOB 439
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.8777000000e-02  3.2629700000e-01 -8.9443000000e-01  8.8379300000e-01 -3.6673500000e-01  2.5438000000e-02 -1.6122160000e+00  1.4052100000e-01  3.1712130000e+00 -1.7519050000e+00  8.4110700000e-01  2.5341120000e+00 -9.2998600000e-01  4.7701500000e-01  3.7522180000e+00
-ENERGY -1.526545392298e+02
-FORCES  3.7729000000e-03 -1.7192000000e-03 -3.4906000000e-03  1.0450000000e-04 -1.0717000000e-03  4.1280000000e-03 -3.4810000000e-03  1.9321000000e-03 -4.4030000000e-04  3.1802000000e-03  3.9845000000e-03 -2.8484000000e-03 -1.0059000000e-03 -1.6914000000e-03  4.4060000000e-03 -2.5708000000e-03 -1.4342000000e-03 -1.7548000000e-03
-
-JOB 440
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8523400000e-01 -2.7812200000e-01  4.7147400000e-01  4.9705100000e-01 -8.0676200000e-01 -1.3530300000e-01  1.3303060000e+00  2.1087050000e+00  8.5228000000e-01  1.0456840000e+00  2.3929770000e+00  1.7208490000e+00  8.0885200000e-01  1.3262870000e+00  6.7300500000e-01
-ENERGY -1.526587470740e+02
-FORCES  4.4892000000e-03  3.5495000000e-03  2.9487000000e-03  5.2021000000e-03  1.5174000000e-03 -1.5442000000e-03 -3.8369000000e-03  3.8788000000e-03  1.3483000000e-03 -9.4175000000e-03 -1.3987100000e-02 -4.9481000000e-03 -8.6800000000e-04 -2.6109000000e-03 -2.7129000000e-03  4.4312000000e-03  7.6523000000e-03  4.9082000000e-03
-
-JOB 441
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3103600000e-01  8.2784100000e-01 -3.4832000000e-01  5.1541000000e-01 -6.7156400000e-01 -4.4675100000e-01 -1.2926580000e+00  1.8309270000e+00 -2.0741490000e+00 -1.6575670000e+00  2.2281710000e+00 -1.2834080000e+00 -1.5529940000e+00  9.1124300000e-01 -2.0227750000e+00
-ENERGY -1.526582331483e+02
-FORCES  4.3348000000e-03  2.7891000000e-03 -4.5796000000e-03 -1.2461000000e-03 -4.2363000000e-03  3.9851000000e-03 -2.8300000000e-03  2.6122000000e-03  1.2403000000e-03 -4.2986000000e-03 -4.8570000000e-03  5.1117000000e-03  2.9491000000e-03 -6.8650000000e-04 -3.1659000000e-03  1.0908000000e-03  4.3784000000e-03 -2.5917000000e-03
-
-JOB 442
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6592300000e-01  3.5536100000e-01 -6.8533300000e-01 -7.8623300000e-01 -2.8837600000e-01 -4.6358300000e-01 -2.5364610000e+00 -4.4190400000e-01 -7.7512500000e-01 -2.7935120000e+00 -1.3022890000e+00 -1.1066280000e+00 -3.2143210000e+00 -2.1809200000e-01 -1.3743600000e-01
-ENERGY -1.526599105619e+02
-FORCES -1.3024000000e-02 -1.1526000000e-03 -5.3133000000e-03 -3.1228000000e-03 -1.5480000000e-03  1.0350000000e-03  1.0101500000e-02 -6.2100000000e-04  5.5310000000e-04  2.1967000000e-03  1.3994000000e-03  5.8475000000e-03  2.2307000000e-03  4.4337000000e-03  2.2001000000e-03  1.6181000000e-03 -2.5115000000e-03 -4.3225000000e-03
-
-JOB 443
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4615900000e-01  4.7415200000e-01  7.9424000000e-01 -6.8425900000e-01  5.3794100000e-01 -3.9829800000e-01 -2.2483930000e+00 -6.7825900000e-01  3.2342290000e+00 -1.6033400000e+00 -1.3809840000e+00  3.1547600000e+00 -2.9328780000e+00 -1.0431060000e+00  3.7951200000e+00
-ENERGY -1.526555361226e+02
-FORCES -2.9608000000e-03  4.6187000000e-03  2.0983000000e-03 -7.5600000000e-05 -2.2876000000e-03 -3.4658000000e-03  3.2260000000e-03 -1.9941000000e-03  8.5700000000e-04 -3.2820000000e-04 -5.0252000000e-03  1.5747000000e-03 -2.6296000000e-03  3.2460000000e-03  1.2503000000e-03  2.7681000000e-03  1.4422000000e-03 -2.3146000000e-03
-
-JOB 444
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3479000000e-01 -8.4473500000e-01  3.0094900000e-01 -2.2000300000e-01 -1.4319700000e-01 -9.2050200000e-01  2.2131490000e+00  1.6128030000e+00  1.7066100000e-01  1.3675450000e+00  1.2916030000e+00 -1.4241600000e-01  2.3519580000e+00  2.4296770000e+00 -3.0858800000e-01
-ENERGY -1.526593309045e+02
-FORCES  4.1832000000e-03 -4.3932000000e-03  1.1984000000e-03 -2.9491000000e-03  3.6375000000e-03 -2.5126000000e-03  3.2812000000e-03  2.7831000000e-03  4.4849000000e-03 -1.0166700000e-02 -5.1306000000e-03 -3.8780000000e-04  8.2931000000e-03  6.7375000000e-03 -3.2739000000e-03 -2.6417000000e-03 -3.6343000000e-03  4.9100000000e-04
-
-JOB 445
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0311100000e-01  1.1814200000e-01 -2.9438800000e-01  2.8372700000e-01 -8.1371800000e-01 -4.1664500000e-01  2.6288340000e+00  2.2591370000e+00  1.1687000000e+00  2.4599110000e+00  3.0715580000e+00  6.9155300000e-01  1.7642630000e+00  1.9650870000e+00  1.4555500000e+00
-ENERGY -1.526563213766e+02
-FORCES -1.8719000000e-03 -4.0869000000e-03 -3.7538000000e-03  3.8823000000e-03 -1.7380000000e-04  1.3017000000e-03 -2.0067000000e-03  3.2010000000e-03  1.5968000000e-03 -5.7270000000e-03  3.7270000000e-04 -1.7504000000e-03  9.3850000000e-04 -2.6148000000e-03  1.9252000000e-03  4.7848000000e-03  3.3018000000e-03  6.8060000000e-04
-
-JOB 446
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3413000000e-02 -4.2479000000e-01  8.5767500000e-01 -3.5914200000e-01 -6.5541300000e-01 -5.9806500000e-01 -1.4828250000e+00 -2.0754380000e+00 -1.3909530000e+00 -2.3643090000e+00 -1.7056230000e+00 -1.3414070000e+00 -1.4540740000e+00 -2.5141590000e+00 -2.2412050000e+00
-ENERGY -1.526616846423e+02
-FORCES -3.5704000000e-03 -9.5330000000e-03 -2.7740000000e-03 -2.4540000000e-04  1.7460000000e-03 -2.2225000000e-03  3.2136000000e-03  8.0003000000e-03  4.5660000000e-03 -3.0751000000e-03 -4.9210000000e-04 -3.0527000000e-03  4.9589000000e-03 -1.8860000000e-03 -5.6370000000e-04 -1.2815000000e-03  2.1648000000e-03  4.0469000000e-03
-
-JOB 447
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3739300000e-01  5.6339300000e-01  6.3836400000e-01  8.7222900000e-01  3.8163100000e-01 -9.9030000000e-02 -2.2181890000e+00  3.7063600000e-01  2.4294280000e+00 -2.5177480000e+00  5.3260200000e-01  3.3240030000e+00 -2.7128460000e+00 -3.9835200000e-01  2.1462270000e+00
-ENERGY -1.526589927052e+02
-FORCES  3.2280000000e-04  3.9976000000e-03  4.0241000000e-03  4.3544000000e-03 -2.1748000000e-03 -6.2076000000e-03 -3.1400000000e-03 -1.2467000000e-03  5.1980000000e-04 -3.9853000000e-03 -3.3169000000e-03  3.4279000000e-03  8.2550000000e-04 -1.1015000000e-03 -3.6659000000e-03  1.6226000000e-03  3.8423000000e-03  1.9017000000e-03
-
-JOB 448
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5628000000e-02  9.5473800000e-01 -6.3646000000e-02 -8.0502600000e-01 -2.9078000000e-01 -4.2850000000e-01 -1.4535760000e+00  1.5702100000e-01  2.3721460000e+00 -1.2819460000e+00 -1.5310700000e-01  1.4829910000e+00 -2.3567210000e+00 -1.0675500000e-01  2.5481710000e+00
-ENERGY -1.526548398957e+02
-FORCES -1.0683000000e-03  5.8369000000e-03 -5.5480000000e-04 -5.2390000000e-04 -5.6800000000e-03 -1.9330000000e-04  1.6154000000e-03  1.1022000000e-03  8.7677000000e-03  5.0771000000e-03 -2.6570000000e-03 -6.9236000000e-03 -9.0369000000e-03  8.9660000000e-04  2.2498000000e-03  3.9365000000e-03  5.0120000000e-04 -3.3458000000e-03
-
-JOB 449
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6577900000e-01  9.7784000000e-02 -8.7913300000e-01  7.0665000000e-02  8.7230100000e-01  3.8772400000e-01  3.7650800000e-01  5.5740900000e-01  3.2534850000e+00 -2.9706500000e-01  7.9180000000e-03  2.8527470000e+00  1.1840970000e+00  3.1651400000e-01  2.7996110000e+00
-ENERGY -1.526580475373e+02
-FORCES  9.3860000000e-04  4.4051000000e-03 -3.3673000000e-03 -1.2110000000e-03  4.0100000000e-05  3.9438000000e-03  1.6570000000e-04 -5.1838000000e-03 -2.1292000000e-03  6.2750000000e-04 -6.1202000000e-03 -3.1541000000e-03  2.3173000000e-03  4.0305000000e-03  2.5939000000e-03 -2.8381000000e-03  2.8283000000e-03  2.1129000000e-03
-
-JOB 450
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7688000000e-01 -3.3491200000e-01  5.8813300000e-01 -3.4296400000e-01 -1.6371100000e-01 -8.7852500000e-01  2.6867840000e+00 -1.6534640000e+00  6.3250300000e-01  2.2766010000e+00 -1.6069160000e+00  1.4961090000e+00  3.4681660000e+00 -2.1898480000e+00  7.6654700000e-01
-ENERGY -1.526525921023e+02
-FORCES -2.9438000000e-03 -2.9917000000e-03 -2.9969000000e-03  3.5160000000e-03  1.1681000000e-03 -1.5178000000e-03  6.1480000000e-04  1.2863000000e-03  3.6153000000e-03  8.6000000000e-06 -4.0670000000e-04  4.7155000000e-03  2.4147000000e-03 -1.4962000000e-03 -2.6490000000e-03 -3.6103000000e-03  2.4403000000e-03 -1.1672000000e-03
-
-JOB 451
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9798500000e-01 -3.2138600000e-01  8.1031000000e-02  2.1784400000e-01 -1.2673600000e-01 -9.2342500000e-01  4.3576400000e-01 -2.7469240000e+00  2.3009900000e-01  1.8896300000e-01 -3.1167680000e+00  1.0777650000e+00  4.8668500000e-01 -1.8037850000e+00  3.8542700000e-01
-ENERGY -1.526597643676e+02
-FORCES -4.2381000000e-03 -2.8397000000e-03 -5.9052000000e-03  6.3176000000e-03 -2.8690000000e-04  1.2992000000e-03 -4.6590000000e-04 -5.7480000000e-04  6.1149000000e-03  6.9480000000e-04  1.1002400000e-02  3.0832000000e-03 -1.8140000000e-04  2.8661000000e-03 -2.7329000000e-03 -2.1270000000e-03 -1.0167200000e-02 -1.8592000000e-03
-
-JOB 452
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3387700000e-01 -8.8196500000e-01 -1.6399900000e-01  7.7648600000e-01  5.1260300000e-01  2.2480800000e-01  1.1844150000e+00 -2.5032730000e+00 -6.1818000000e-02  9.4400200000e-01 -3.4296170000e+00 -7.9721000000e-02  1.6985360000e+00 -2.4042080000e+00  7.3949300000e-01
-ENERGY -1.526598659360e+02
-FORCES  6.3964000000e-03 -1.0606100000e-02 -1.8051000000e-03 -2.0035000000e-03  9.0920000000e-03  1.8975000000e-03 -1.7508000000e-03 -2.5613000000e-03  2.5960000000e-04 -2.2598000000e-03 -1.2450000000e-04  2.8567000000e-03  2.4109000000e-03  4.0537000000e-03  1.2624000000e-03 -2.7931000000e-03  1.4630000000e-04 -4.4711000000e-03
-
-JOB 453
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0586800000e-01  1.0767200000e-01 -2.8990100000e-01 -1.2651000000e-02  2.4861400000e-01  9.2426300000e-01  1.9407000000e-01  9.9990300000e-01  3.1116590000e+00  8.3625400000e-01  1.6698050000e+00  2.8770020000e+00  6.7077800000e-01  1.7335000000e-01  3.0355480000e+00
-ENERGY -1.526586498485e+02
-FORCES -5.1432000000e-03  2.9387000000e-03  4.5870000000e-03  3.4205000000e-03 -5.0820000000e-04  6.1500000000e-04  3.2046000000e-03 -4.1765000000e-03 -6.2618000000e-03  6.1897000000e-03  1.0982000000e-03  3.7068000000e-03 -3.6860000000e-03 -3.9436000000e-03  3.6140000000e-04 -3.9856000000e-03  4.5914000000e-03 -3.0084000000e-03
-
-JOB 454
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7779100000e-01  4.5229000000e-02  9.1488700000e-01 -4.7536900000e-01  7.1055000000e-01 -4.3055200000e-01 -6.1034000000e-01 -1.4170370000e+00  2.4382110000e+00 -1.1755950000e+00 -1.4560140000e+00  3.2097030000e+00 -5.0785900000e-01 -2.3299880000e+00  2.1694180000e+00
-ENERGY -1.526597949402e+02
-FORCES -3.2701000000e-03 -6.2390000000e-04  6.3760000000e-03  1.8654000000e-03  4.9863000000e-03 -7.5336000000e-03  1.0316000000e-03 -2.5505000000e-03  2.4328000000e-03 -6.5010000000e-04 -5.2638000000e-03 -8.0260000000e-04  2.1859000000e-03  3.4000000000e-05 -3.7495000000e-03 -1.1626000000e-03  3.4180000000e-03  3.2769000000e-03
-
-JOB 455
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8778700000e-01  1.2307500000e-01  9.0457900000e-01 -8.0865000000e-01  6.6950000000e-03 -5.1212600000e-01 -1.9563700000e-01 -2.1689250000e+00 -2.4318620000e+00 -2.1668100000e-01 -2.9676680000e+00 -2.9589290000e+00  7.0664800000e-01 -1.8575890000e+00 -2.5038620000e+00
-ENERGY -1.526564222627e+02
-FORCES -5.3995000000e-03 -1.1928000000e-03  6.3330000000e-04  9.9270000000e-04 -4.7210000000e-04 -3.4612000000e-03  3.4044000000e-03  2.3457000000e-03  3.4251000000e-03  4.8784000000e-03 -1.8301000000e-03 -1.4130000000e-03  2.4180000000e-04  3.1566000000e-03  2.3765000000e-03 -4.1178000000e-03 -2.0072000000e-03 -1.5607000000e-03
-
-JOB 456
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8970000000e-01  3.7963300000e-01 -5.4444900000e-01  2.9832900000e-01  1.4143000000e-01  8.9845900000e-01  1.1904030000e+00  4.6788000000e-01 -2.4365300000e+00  2.1003860000e+00  1.7112400000e-01 -2.4265990000e+00  7.9738700000e-01  1.1909000000e-02 -3.1807480000e+00
-ENERGY -1.526581370210e+02
-FORCES  4.1363000000e-03  2.9838000000e-03 -7.9104000000e-03 -2.1040000000e-04 -1.2787000000e-03  9.8018000000e-03  8.8210000000e-04 -7.5200000000e-05 -4.6333000000e-03 -3.6312000000e-03 -5.4847000000e-03 -1.3068000000e-03 -4.8158000000e-03  1.4780000000e-03  2.1609000000e-03  3.6390000000e-03  2.3768000000e-03  1.8878000000e-03
-
-JOB 457
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8205900000e-01 -9.1071700000e-01  8.5262000000e-02  8.1460000000e-01  4.9846700000e-01 -6.4726000000e-02  1.8637010000e+00  1.9598460000e+00  1.6152200000e-01  2.5095990000e+00  2.5859140000e+00 -1.6571800000e-01  1.6524440000e+00  2.2709660000e+00  1.0417540000e+00
-ENERGY -1.526605130595e+02
-FORCES  9.0495000000e-03  6.1631000000e-03 -1.2717000000e-03  4.4550000000e-04  3.5589000000e-03 -1.9180000000e-04 -6.0785000000e-03 -6.3754000000e-03  2.6969000000e-03 -2.8213000000e-03 -4.5880000000e-04  2.6350000000e-04 -2.9842000000e-03 -1.6815000000e-03  3.2644000000e-03  2.3890000000e-03 -1.2062000000e-03 -4.7612000000e-03
-
-JOB 458
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1121800000e-01  2.3246800000e-01  1.7852800000e-01 -2.1840000000e-03 -9.5570600000e-01 -5.3408000000e-02 -4.1717800000e-01  1.2624190000e+00 -2.4678210000e+00 -9.1229500000e-01  2.0299490000e+00 -2.1814840000e+00  9.3939000000e-02  1.0064150000e+00 -1.7000630000e+00
-ENERGY -1.526589665512e+02
-FORCES -5.8893000000e-03 -3.1805000000e-03 -3.5245000000e-03  4.7324000000e-03 -1.2000000000e-06 -9.5220000000e-04 -4.1870000000e-04  4.5035000000e-03  7.9790000000e-04  3.1848000000e-03 -2.8028000000e-03  1.0920900000e-02  8.0940000000e-04 -3.4109000000e-03  2.7800000000e-04 -2.4186000000e-03  4.8919000000e-03 -7.5202000000e-03
-
-JOB 459
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1186300000e-01 -4.2054500000e-01 -8.5256100000e-01  3.0245300000e-01  8.8437500000e-01 -2.0648100000e-01 -2.4312860000e+00  4.4180000000e-03  1.1363970000e+00 -1.5601710000e+00  1.1994000000e-02  7.3974300000e-01 -2.4037090000e+00 -7.1929100000e-01  1.7622700000e+00
-ENERGY -1.526605936299e+02
-FORCES -4.6696000000e-03  1.8430000000e-03 -6.7610000000e-04 -1.0870000000e-04  2.9907000000e-03  5.0405000000e-03 -2.3239000000e-03 -5.1799000000e-03  3.2240000000e-04  1.6558100000e-02 -1.3481000000e-03 -4.9886000000e-03 -1.0181700000e-02  1.3660000000e-04  2.6086000000e-03  7.2580000000e-04  1.5577000000e-03 -2.3069000000e-03
-
-JOB 460
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3753000000e-01 -2.1452900000e-01  4.1079500000e-01  1.9269200000e-01  7.5279700000e-01 -5.5892500000e-01 -2.1670800000e+00 -1.5662100000e+00  1.6524600000e+00 -2.6604230000e+00 -1.9455980000e+00  2.3797210000e+00 -1.7649830000e+00 -7.7912800000e-01  2.0199550000e+00
-ENERGY -1.526545264954e+02
-FORCES  4.7452000000e-03  1.2105000000e-03 -2.4699000000e-03 -4.0042000000e-03  1.5624000000e-03 -1.0183000000e-03 -9.2250000000e-04 -3.3949000000e-03  2.5569000000e-03  7.1440000000e-04  3.5197000000e-03  2.7384000000e-03  2.3585000000e-03  1.5985000000e-03 -3.2709000000e-03 -2.8914000000e-03 -4.4962000000e-03  1.4638000000e-03
-
-JOB 461
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5419100000e-01  3.6388600000e-01  7.5995400000e-01 -6.4516600000e-01  6.6660000000e-01 -2.3587500000e-01 -1.3722450000e+00  2.4343260000e+00 -5.9549900000e-01 -2.2635450000e+00  2.1127320000e+00 -4.5988000000e-01 -1.2926370000e+00  2.5276660000e+00 -1.5448050000e+00
-ENERGY -1.526593840974e+02
-FORCES -3.3851000000e-03  1.3029400000e-02  3.6460000000e-04 -9.5230000000e-04 -2.0312000000e-03 -1.7992000000e-03 -2.8420000000e-04 -9.5740000000e-03  3.7620000000e-04 -1.5143000000e-03  1.5767000000e-03 -3.8012000000e-03  7.0579000000e-03 -1.4314000000e-03 -5.6550000000e-04 -9.2200000000e-04 -1.5694000000e-03  5.4251000000e-03
-
-JOB 462
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0724100000e-01  6.8892500000e-01 -2.6994900000e-01 -1.6048000000e-01 -1.0754100000e-01  9.3750300000e-01  1.5228510000e+00  1.5224500000e+00  2.7986160000e+00  1.4745100000e+00  6.1054800000e-01  2.5116860000e+00  1.7516150000e+00  1.4702380000e+00  3.7266100000e+00
-ENERGY -1.526541235333e+02
-FORCES -4.1070000000e-03  4.4975000000e-03  2.2253000000e-03  2.0244000000e-03 -3.6022000000e-03  4.0280000000e-04  3.0144000000e-03 -8.1010000000e-04 -2.7702000000e-03  2.7916000000e-03 -3.6122000000e-03  2.3424000000e-03 -2.5905000000e-03  3.3288000000e-03  1.9828000000e-03 -1.1329000000e-03  1.9820000000e-04 -4.1830000000e-03
-
-JOB 463
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6259600000e-01 -8.8488700000e-01 -3.2675700000e-01 -2.4210600000e-01  5.7279300000e-01 -7.2768500000e-01 -3.7751790000e+00  5.6356600000e-01 -1.6114700000e-01 -3.3917540000e+00  6.9244900000e-01  7.0638200000e-01 -3.6233410000e+00 -3.6128300000e-01 -3.5565100000e-01
-ENERGY -1.526556851073e+02
-FORCES -1.0611000000e-03 -5.2900000000e-04 -5.2571000000e-03 -7.4000000000e-06  3.4292000000e-03  1.7243000000e-03  1.7378000000e-03 -2.8477000000e-03  3.2861000000e-03  2.6306000000e-03 -3.2906000000e-03  4.0328000000e-03 -2.7709000000e-03 -2.8330000000e-04 -3.7654000000e-03 -5.2900000000e-04  3.5214000000e-03 -2.0700000000e-05
-
-JOB 464
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8240900000e-01 -4.0476100000e-01  8.4801300000e-01 -2.0497200000e-01 -7.3517400000e-01 -5.7770000000e-01 -3.8771700000e-01 -2.3386350000e+00 -1.6601960000e+00  1.3616300000e-01 -2.6154110000e+00 -2.4119790000e+00 -1.2718560000e+00 -2.6483180000e+00 -1.8567340000e+00
-ENERGY -1.526618770248e+02
-FORCES -3.8080000000e-04 -9.7658000000e-03 -3.6895000000e-03 -6.7530000000e-04  1.2170000000e-03 -2.3505000000e-03 -3.1600000000e-05  8.0602000000e-03  5.8578000000e-03  3.4500000000e-05 -9.9800000000e-04 -3.5192000000e-03 -3.6180000000e-03  1.7130000000e-04  3.1351000000e-03  4.6712000000e-03  1.3153000000e-03  5.6630000000e-04
-
-JOB 465
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7012700000e-01 -2.6780000000e-03  9.1829000000e-01  8.2007700000e-01  4.8773000000e-02 -4.9125000000e-01 -3.3803800000e-01  2.7247790000e+00 -6.9103400000e-01  2.5424500000e-01  3.1285070000e+00 -5.6656000000e-02 -7.5555400000e-01  2.0109270000e+00 -2.0903000000e-01
-ENERGY -1.526567064399e+02
-FORCES  6.4356000000e-03  2.8395000000e-03 -2.6089000000e-03 -1.9206000000e-03  2.6676000000e-03 -4.3428000000e-03 -3.0566000000e-03 -1.8295000000e-03  3.6985000000e-03  5.4000000000e-04 -9.4680000000e-03  5.5980000000e-03 -1.2990000000e-03 -2.1706000000e-03 -2.1317000000e-03 -6.9940000000e-04  7.9609000000e-03 -2.1310000000e-04
-
-JOB 466
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4700000000e-01 -7.3828000000e-01 -5.5692500000e-01  9.5570700000e-01 -3.7389000000e-02  3.8174000000e-02  5.4620000000e-03 -1.1193410000e+00  2.3650200000e+00  8.2677400000e-01 -1.6018190000e+00  2.2707190000e+00 -6.4570000000e-02 -6.0522300000e-01  1.5606510000e+00
-ENERGY -1.526548186858e+02
-FORCES  1.3319000000e-03 -7.5935000000e-03  5.7333000000e-03  2.6109000000e-03  3.7083000000e-03  4.2878000000e-03 -6.5855000000e-03 -2.7515000000e-03  4.2419000000e-03 -4.6380000000e-04  9.2135000000e-03 -1.9350900000e-02 -1.9219000000e-03  2.4715000000e-03 -2.1073000000e-03  5.0286000000e-03 -5.0483000000e-03  7.1952000000e-03
-
-JOB 467
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2645200000e-01 -6.4068800000e-01 -4.7812000000e-01 -8.0356000000e-01 -4.6921200000e-01  2.2441800000e-01  1.6337790000e+00 -2.4934360000e+00  1.8264320000e+00  2.5570510000e+00 -2.5609290000e+00  2.0698390000e+00  1.6410960000e+00 -2.4353840000e+00  8.7102200000e-01
-ENERGY -1.526520715765e+02
-FORCES -1.6121000000e-03 -4.6087000000e-03  7.7750000000e-04 -9.7850000000e-04  1.2470000000e-03  2.1737000000e-03  3.2273000000e-03  2.2029000000e-03 -1.9378000000e-03  4.3508000000e-03  1.2347000000e-03 -2.2499000000e-03 -3.9664000000e-03  1.4030000000e-04 -1.1073000000e-03 -1.0212000000e-03 -2.1620000000e-04  2.3438000000e-03
-
-JOB 468
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3978700000e-01 -1.9702900000e-01  7.6553300000e-01 -8.9518800000e-01 -1.8616100000e-01  2.8322200000e-01  2.6404680000e+00  9.8042000000e-02 -2.2879310000e+00  2.9844160000e+00 -7.7158900000e-01 -2.0837900000e+00  2.8711740000e+00  6.3190800000e-01 -1.5276710000e+00
-ENERGY -1.526525729414e+02
-FORCES -2.3015000000e-03 -1.7319000000e-03  3.8544000000e-03 -1.3490000000e-03  1.0739000000e-03 -3.5827000000e-03  3.9346000000e-03  7.1190000000e-04 -1.3131000000e-03 -9.9400000000e-05 -1.2706000000e-03  4.8837000000e-03 -7.5380000000e-04  3.3939000000e-03 -8.4300000000e-04  5.6900000000e-04 -2.1771000000e-03 -2.9994000000e-03
-
-JOB 469
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7190700000e-01  3.3345600000e-01  2.1170100000e-01  5.8429700000e-01  7.4296200000e-01  1.5111700000e-01 -2.1719760000e+00  1.4829630000e+00  1.7944000000e-01 -2.2532500000e+00  2.0138490000e+00 -6.1288900000e-01 -2.7511290000e+00  7.3599300000e-01  2.8277000000e-02
-ENERGY -1.526551403523e+02
-FORCES -1.3873600000e-02  1.5725400000e-02  3.1311000000e-03 -1.1061000000e-03 -9.4370000000e-03 -6.2600000000e-04 -4.1060000000e-04 -1.9697000000e-03 -1.2567000000e-03  7.3836000000e-03 -3.7897000000e-03 -6.7038000000e-03 -5.1500000000e-04 -2.5138000000e-03  4.4549000000e-03  8.5219000000e-03  1.9848000000e-03  1.0004000000e-03
-
-JOB 470
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4558800000e-01 -2.4885600000e-01 -6.6145200000e-01 -2.4992400000e-01 -4.9773200000e-01  7.7848100000e-01  5.1400800000e-01 -2.1651320000e+00 -2.3425700000e+00 -2.8871100000e-01 -1.6472390000e+00 -2.4030730000e+00  6.0753500000e-01 -2.3546610000e+00 -1.4089950000e+00
-ENERGY -1.526514749835e+02
-FORCES -3.7108000000e-03 -1.2935000000e-03  4.8360000000e-04  2.8684000000e-03 -1.2618000000e-03  1.0995000000e-03  1.8319000000e-03  1.1883000000e-03 -4.4335000000e-03 -8.7990000000e-04  3.3819000000e-03  5.2419000000e-03  1.7361000000e-03 -8.1970000000e-04  1.8087000000e-03 -1.8457000000e-03 -1.1952000000e-03 -4.2000000000e-03
-
-JOB 471
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1571000000e-02  7.0023900000e-01 -6.5250500000e-01  7.9389000000e-01  1.6042300000e-01  5.1013200000e-01  1.3042600000e+00  3.2352890000e+00 -3.5569500000e-01  1.9493840000e+00  3.8147280000e+00 -7.6103200000e-01  1.4897480000e+00  2.3726940000e+00 -7.2684800000e-01
-ENERGY -1.526529035064e+02
-FORCES  1.1938000000e-03  4.1404000000e-03  1.2271000000e-03  3.1135000000e-03 -3.1214000000e-03  1.9435000000e-03 -2.7419000000e-03 -8.0800000000e-04 -3.8178000000e-03  4.5772000000e-03  7.5710000000e-04 -3.5592000000e-03 -2.9565000000e-03 -2.6787000000e-03  2.0362000000e-03 -3.1860000000e-03  1.7106000000e-03  2.1702000000e-03
-
-JOB 472
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9593300000e-01 -2.0879900000e-01  7.9163500000e-01  6.6339000000e-01  2.7280000000e-01 -6.3381800000e-01  1.4269700000e+00  2.4645320000e+00 -2.8835430000e+00  1.2826470000e+00  2.6880610000e+00 -3.8030200000e+00  2.1674120000e+00  3.0096480000e+00 -2.6174120000e+00
-ENERGY -1.526559139304e+02
-FORCES  4.6868000000e-03  1.1349000000e-03 -6.8390000000e-04 -1.8595000000e-03  8.6360000000e-04 -2.9828000000e-03 -2.6323000000e-03 -2.7419000000e-03  4.4824000000e-03  1.7837000000e-03  4.0622000000e-03 -3.7053000000e-03  9.6880000000e-04 -6.6250000000e-04  3.8277000000e-03 -2.9476000000e-03 -2.6563000000e-03 -9.3800000000e-04
-
-JOB 473
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1274500000e-01  8.0972900000e-01  4.9785500000e-01 -8.6512600000e-01 -4.0952700000e-01  8.7410000000e-03 -8.1823100000e-01  2.6426980000e+00  1.0726590000e+00 -3.7668400000e-01  3.3403400000e+00  1.5569770000e+00 -1.4846930000e+00  2.3157320000e+00  1.6769390000e+00
-ENERGY -1.526594712624e+02
-FORCES -4.1980000000e-03  7.9506000000e-03  2.2967000000e-03  1.0307000000e-03 -9.8605000000e-03 -1.2075000000e-03  2.4730000000e-03  1.5200000000e-03  7.4600000000e-04 -8.6640000000e-04  4.0705000000e-03  3.7641000000e-03 -2.9107000000e-03 -3.3985000000e-03 -1.9433000000e-03  4.4713000000e-03 -2.8200000000e-04 -3.6561000000e-03
-
-JOB 474
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6919800000e-01 -4.8656000000e-01  4.8131700000e-01  4.1173000000e-01  5.5829500000e-01  6.5955800000e-01 -1.6390240000e+00  1.5553890000e+00 -2.0269250000e+00 -1.0472780000e+00  1.1825980000e+00 -1.3734000000e+00 -1.0661110000e+00  1.8180600000e+00 -2.7473460000e+00
-ENERGY -1.526616235165e+02
-FORCES -2.6530000000e-04 -2.4429000000e-03  6.2320000000e-03  3.5769000000e-03  3.1534000000e-03 -2.1374000000e-03 -2.5939000000e-03 -2.3331000000e-03 -3.7156000000e-03  7.1582000000e-03 -4.0375000000e-03  2.9875000000e-03 -6.3016000000e-03  6.2828000000e-03 -5.9065000000e-03 -1.5743000000e-03 -6.2270000000e-04  2.5399000000e-03
-
-JOB 475
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4931000000e-01  5.1338900000e-01  7.2845400000e-01  7.4889800000e-01 -1.3218700000e-01 -5.8130000000e-01 -1.9226000000e+00 -2.4481530000e+00  1.3690600000e-01 -1.6555790000e+00 -3.2158050000e+00  6.4251600000e-01 -1.1081700000e+00 -1.9717270000e+00 -2.4199000000e-02
-ENERGY -1.526586815084e+02
-FORCES  3.9237000000e-03  5.0275000000e-03  2.0353000000e-03 -7.1810000000e-04 -2.0337000000e-03 -3.9190000000e-03 -4.0121000000e-03 -9.8770000000e-04  3.2389000000e-03  5.5998000000e-03  3.1575000000e-03  1.3941000000e-03 -5.3140000000e-04  2.9913000000e-03 -1.6686000000e-03 -4.2619000000e-03 -8.1550000000e-03 -1.0807000000e-03
-
-JOB 476
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2628500000e-01  8.3899500000e-01  4.4313800000e-01 -8.8623300000e-01 -3.0232300000e-01 -1.9855300000e-01 -2.0955630000e+00 -1.4820070000e+00 -1.0891700000e+00 -2.9469000000e+00 -1.1157890000e+00 -8.4971000000e-01 -1.9226220000e+00 -1.1349970000e+00 -1.9643310000e+00
-ENERGY -1.526588790202e+02
-FORCES -8.8383000000e-03 -5.6916000000e-03 -2.0956000000e-03 -1.7910000000e-03 -3.4616000000e-03 -2.1500000000e-03  6.2143000000e-03  9.1946000000e-03  2.6782000000e-03 -9.0570000000e-04  1.5970000000e-04 -4.5396000000e-03  6.4967000000e-03  2.8710000000e-04 -7.6900000000e-05 -1.1758000000e-03 -4.8830000000e-04  6.1839000000e-03
-
-JOB 477
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4522100000e-01  6.2777300000e-01 -4.7420100000e-01 -6.9176000000e-02 -7.5104700000e-01 -5.8938500000e-01 -3.2475500000e-01 -8.1110000000e-03  2.7705300000e+00 -2.9641400000e-01  2.1125600000e-01  1.8392370000e+00 -1.2322400000e-01  8.1423600000e-01  3.2170300000e+00
-ENERGY -1.526601837543e+02
-FORCES  1.1799000000e-03 -3.1165000000e-03  5.1270000000e-04 -2.6157000000e-03 -3.1035000000e-03  2.1737000000e-03  1.2585000000e-03  4.5332000000e-03  9.1430000000e-04  1.3659000000e-03  1.4318000000e-03 -1.0294400000e-02 -1.1041000000e-03  2.2955000000e-03  9.5957000000e-03 -8.4500000000e-05 -2.0406000000e-03 -2.9021000000e-03
-
-JOB 478
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5342400000e-01  2.1065100000e-01 -7.5205100000e-01  2.6973100000e-01  8.5101300000e-01  3.4533200000e-01  8.8520700000e-01  2.2661350000e+00  1.2068870000e+00  1.7103270000e+00  1.8700460000e+00  1.4871060000e+00  1.1469910000e+00  3.0516040000e+00  7.2653400000e-01
-ENERGY -1.526601033710e+02
-FORCES  2.0412000000e-03  1.4199500000e-02  5.0841000000e-03  1.9730000000e-03  7.4310000000e-04  2.1886000000e-03 -2.3700000000e-05 -1.0088100000e-02 -3.9341000000e-03  2.4613000000e-03 -2.0304000000e-03 -2.3315000000e-03 -5.4879000000e-03  1.6654000000e-03 -3.3565000000e-03 -9.6400000000e-04 -4.4895000000e-03  2.3493000000e-03
-
-JOB 479
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8510600000e-01  6.8609500000e-01 -3.2118000000e-01  8.7631300000e-01  2.9874200000e-01 -2.4302400000e-01 -1.5509600000e-01 -7.7394300000e-01  2.5261510000e+00 -3.2220000000e-01 -5.6243300000e-01  1.6076890000e+00  7.9894400000e-01 -8.1197200000e-01  2.5939250000e+00
-ENERGY -1.526574290785e+02
-FORCES  2.1970000000e-03  6.7490000000e-04  8.8368000000e-03  3.6132000000e-03 -3.4701000000e-03  2.1566000000e-03 -4.6704000000e-03 -8.5270000000e-04  7.9620000000e-04  3.9989000000e-03  5.2241000000e-03 -1.8512600000e-02 -3.4487000000e-03 -1.8613000000e-03  6.7172000000e-03 -1.6899000000e-03  2.8510000000e-04  5.9000000000e-06
-
-JOB 480
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5716000000e-02  2.4393500000e-01 -9.2161800000e-01  5.5766400000e-01 -7.7192700000e-01  9.6804000000e-02  2.2816240000e+00  1.9300730000e+00 -1.5079400000e+00  1.7478640000e+00  2.3043640000e+00 -2.2088250000e+00  1.7556880000e+00  2.0476620000e+00 -7.1686700000e-01
-ENERGY -1.526571585420e+02
-FORCES  3.7485000000e-03 -4.1243000000e-03 -4.2811000000e-03 -1.6834000000e-03  7.2760000000e-04  4.4541000000e-03 -2.9314000000e-03  2.9538000000e-03  1.1120000000e-04 -3.1855000000e-03  3.5065000000e-03  2.2696000000e-03  1.3746000000e-03 -2.9568000000e-03  3.0462000000e-03  2.6773000000e-03 -1.0670000000e-04 -5.6000000000e-03
-
-JOB 481
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2195400000e-01 -4.9052800000e-01  2.3690000000e-03  5.8660700000e-01 -5.1195700000e-01  5.5679800000e-01  2.8117430000e+00  1.3834660000e+00 -1.3266250000e+00  2.8102540000e+00  2.1754940000e+00 -1.8641390000e+00  2.7581470000e+00  6.6535700000e-01 -1.9572430000e+00
-ENERGY -1.526535793766e+02
-FORCES  2.5540000000e-04 -3.4221000000e-03  3.3685000000e-03  3.6053000000e-03  2.3569000000e-03 -5.5000000000e-04 -3.2458000000e-03  1.1871000000e-03 -2.4142000000e-03 -2.6648000000e-03  2.8190000000e-04 -4.7368000000e-03  4.6960000000e-04 -3.0436000000e-03  1.9630000000e-03  1.5803000000e-03  2.6397000000e-03  2.3696000000e-03
-
-JOB 482
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6995600000e-01  5.5857300000e-01  1.0674800000e-01  2.8196000000e-02 -5.2522400000e-01  7.9973600000e-01 -4.3880900000e-01 -1.6741150000e+00 -2.0177420000e+00 -1.3706300000e-01 -1.0742340000e+00 -1.3355960000e+00  3.3322100000e-01 -1.8253250000e+00 -2.5630290000e+00
-ENERGY -1.526605692831e+02
-FORCES -5.1396000000e-03 -4.2653000000e-03 -3.1774000000e-03  4.1754000000e-03 -3.3870000000e-03  6.0840000000e-04 -7.0870000000e-04  2.7078000000e-03 -4.7980000000e-03  4.2879000000e-03  1.1304700000e-02  1.1679400000e-02 -1.2987000000e-03 -7.9060000000e-03 -7.4403000000e-03 -1.3164000000e-03  1.5457000000e-03  3.1279000000e-03
-
-JOB 483
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1688900000e-01 -6.3378400000e-01  6.8374600000e-01 -7.2638600000e-01 -4.0101500000e-01 -4.7726400000e-01  7.0001000000e-02  1.7050660000e+00  2.6535240000e+00 -7.1048900000e-01  1.1556200000e+00  2.5815660000e+00  2.7605600000e-01  1.9486420000e+00  1.7510580000e+00
-ENERGY -1.526579484266e+02
-FORCES -5.7620000000e-04 -5.3833000000e-03  5.6100000000e-05 -2.3482000000e-03  3.0242000000e-03 -3.2744000000e-03  2.8835000000e-03  1.7813000000e-03  2.9787000000e-03 -2.9176000000e-03 -1.5425000000e-03 -7.8291000000e-03  2.5805000000e-03  7.7480000000e-04  2.2363000000e-03  3.7800000000e-04  1.3454000000e-03  5.8324000000e-03
-
-JOB 484
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9549000000e-01 -6.3232000000e-02 -9.3488900000e-01  6.9486300000e-01 -5.0274900000e-01  4.2501800000e-01 -2.7375580000e+00 -1.0979300000e-01 -7.5140000000e-03 -1.7853120000e+00 -4.1994000000e-02  6.2226000000e-02 -3.0684300000e+00  6.3912400000e-01  4.8834800000e-01
-ENERGY -1.526612506248e+02
-FORCES -1.7402000000e-03 -3.2364000000e-03 -4.6500000000e-04 -1.2233000000e-03 -2.6880000000e-04  5.5403000000e-03 -2.1216000000e-03  2.7867000000e-03 -3.4713000000e-03  1.2823700000e-02  1.9984000000e-03  2.7339000000e-03 -9.5329000000e-03  7.3600000000e-04 -3.1706000000e-03  1.7943000000e-03 -2.0160000000e-03 -1.1673000000e-03
-
-JOB 485
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.9791000000e-02  7.1552500000e-01  6.2793100000e-01  4.0910300000e-01  3.2554500000e-01 -8.0180200000e-01 -2.7772380000e+00  3.8559100000e-01 -2.3756650000e+00 -2.6392710000e+00  9.1706100000e-01 -1.5916140000e+00 -1.9177480000e+00  9.0350000000e-03 -2.5646440000e+00
-ENERGY -1.526548658206e+02
-FORCES  4.0522000000e-03  3.6949000000e-03  1.0105000000e-03 -9.2430000000e-04 -3.0147000000e-03 -3.1243000000e-03 -3.4939000000e-03 -1.5020000000e-03  2.6142000000e-03  4.4972000000e-03 -9.1540000000e-04  4.5734000000e-03 -1.3670000000e-03 -5.0400000000e-04 -4.1782000000e-03 -2.7642000000e-03  2.2412000000e-03 -8.9570000000e-04
-
-JOB 486
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4206000000e-01  7.4803000000e-01 -4.0157900000e-01 -3.0334000000e-02 -6.6065800000e-01 -6.9198400000e-01  1.2721820000e+00  2.8797150000e+00 -6.6889000000e-02  1.3537570000e+00  2.2812650000e+00  6.7569700000e-01  5.0771700000e-01  3.4170280000e+00  1.4076400000e-01
-ENERGY -1.526593781400e+02
-FORCES  1.7792000000e-03  1.7320000000e-03 -5.7489000000e-03 -1.8771000000e-03 -6.3897000000e-03  5.2929000000e-03  1.1660000000e-04  2.8869000000e-03  2.2756000000e-03 -2.1972000000e-03  3.2875000000e-03  6.2553000000e-03 -1.5314000000e-03  1.0328000000e-03 -6.8781000000e-03  3.7100000000e-03 -2.5495000000e-03 -1.1968000000e-03
-
-JOB 487
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2027000000e-02  7.9399100000e-01  5.3207400000e-01  9.0286000000e-01 -3.1364500000e-01 -5.1981000000e-02 -7.1666000000e-02  2.0564790000e+00  1.6967490000e+00 -1.6904000000e-02  1.6255150000e+00  2.5496870000e+00 -9.8130900000e-01  2.3475140000e+00  1.6328790000e+00
-ENERGY -1.526598978133e+02
-FORCES  2.2031000000e-03  1.4421300000e-02  1.0288900000e-02 -1.3673000000e-03 -8.8011000000e-03 -6.1132000000e-03 -2.3036000000e-03  1.7101000000e-03  1.7754000000e-03 -3.3478000000e-03 -6.4025000000e-03 -1.0443000000e-03 -4.3190000000e-04  1.9826000000e-03 -5.1812000000e-03  5.2474000000e-03 -2.9105000000e-03  2.7440000000e-04
-
-JOB 488
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0643400000e-01 -2.6872400000e-01  1.4965700000e-01  4.3639000000e-02  9.5196900000e-01 -8.9902000000e-02 -3.7517940000e+00  2.6511000000e-02  3.2026900000e-01 -4.5052030000e+00  5.0834900000e-01  6.6150100000e-01 -4.1333070000e+00 -7.2246400000e-01 -1.3767900000e-01
-ENERGY -1.526530345528e+02
-FORCES  2.8760000000e-03  3.5332000000e-03  5.0820000000e-04 -3.9073000000e-03  8.4590000000e-04 -6.0820000000e-04  7.6510000000e-04 -3.8377000000e-03  2.0670000000e-04 -4.1718000000e-03 -2.0795000000e-03 -7.0500000000e-04  3.4277000000e-03 -1.7118000000e-03 -1.3679000000e-03  1.0103000000e-03  3.2499000000e-03  1.9662000000e-03
-
-JOB 489
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6134400000e-01  4.8776700000e-01  6.0266800000e-01 -8.7994400000e-01  3.3921700000e-01  1.6389900000e-01 -2.7288800000e+00  5.2650000000e-03  6.4466700000e-01 -3.2872830000e+00 -4.6286500000e-01  2.3964000000e-02 -2.1930570000e+00 -6.7778500000e-01  1.0478650000e+00
-ENERGY -1.526598592820e+02
-FORCES -7.8905000000e-03  5.0840000000e-03  8.4910000000e-04 -3.4875000000e-03 -1.9032000000e-03 -1.2207000000e-03  8.6523000000e-03 -5.4565000000e-03  2.5975000000e-03  5.0240000000e-04 -6.3607000000e-03 -1.9717000000e-03  2.7144000000e-03  1.6794000000e-03  3.4511000000e-03 -4.9110000000e-04  6.9570000000e-03 -3.7052000000e-03
-
-JOB 490
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9778500000e-01  5.9309500000e-01 -5.6274400000e-01  6.1879000000e-02 -8.1227200000e-01 -5.0261100000e-01 -1.7125040000e+00 -1.1848970000e+00  1.8885270000e+00 -2.4788450000e+00 -1.4815580000e+00  1.3976650000e+00 -9.6973000000e-01 -1.3893460000e+00  1.3204430000e+00
-ENERGY -1.526514074063e+02
-FORCES -6.0558000000e-03  1.7179000000e-03 -1.4433000000e-03  2.9678000000e-03 -2.9678000000e-03  1.4999000000e-03 -2.9709000000e-03  1.5609000000e-03  6.5696000000e-03  5.1270000000e-03  4.0643000000e-03 -8.6431000000e-03  3.1033000000e-03  1.5514000000e-03  1.0128000000e-03 -2.1715000000e-03 -5.9267000000e-03  1.0041000000e-03
-
-JOB 491
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9478300000e-01 -6.3457100000e-01  3.9973000000e-01 -5.1618000000e-02  7.6843100000e-01  5.6840200000e-01 -3.2641300000e-01  1.7441890000e+00  2.1656530000e+00 -6.2217000000e-02  2.6065270000e+00  2.4862850000e+00 -1.1854170000e+00  1.5941940000e+00  2.5604240000e+00
-ENERGY -1.526596525302e+02
-FORCES -1.9901000000e-03  6.2175000000e-03  1.0916700000e-02  9.4900000000e-04  1.7329000000e-03 -1.1521000000e-03  1.3660000000e-04 -4.9296000000e-03 -7.1119000000e-03 -1.2545000000e-03  5.4150000000e-04  1.4770000000e-04 -2.2442000000e-03 -4.2602000000e-03 -7.9120000000e-04  4.4030000000e-03  6.9790000000e-04 -2.0092000000e-03
-
-JOB 492
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0859300000e-01 -6.4264300000e-01  3.3728000000e-02  1.1269100000e-01  2.8085900000e-01  9.0810300000e-01 -2.3841960000e+00 -1.5769290000e+00 -1.3012000000e-02 -2.5334290000e+00 -9.9178400000e-01 -7.5568800000e-01 -2.1084210000e+00 -2.4030930000e+00 -4.1004200000e-01
-ENERGY -1.526602222638e+02
-FORCES -8.8988000000e-03 -6.2488000000e-03  5.2149000000e-03  6.9464000000e-03  5.5767000000e-03 -5.2110000000e-03 -3.0770000000e-04 -8.8990000000e-04 -2.8019000000e-03 -2.4456000000e-03 -1.0011000000e-03 -4.6710000000e-03  4.4578000000e-03 -3.1929000000e-03  5.2906000000e-03  2.4780000000e-04  5.7559000000e-03  2.1786000000e-03
-
-JOB 493
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8205100000e-01 -7.2566800000e-01 -4.9363400000e-01 -7.5756500000e-01 -3.8310500000e-01  4.4221900000e-01 -1.8813230000e+00  7.6303900000e-01 -2.4203740000e+00 -9.6576800000e-01  8.6253300000e-01 -2.1594320000e+00 -2.3569450000e+00  6.6695500000e-01 -1.5952780000e+00
-ENERGY -1.526571495879e+02
-FORCES -1.2516000000e-03 -6.2132000000e-03  1.2420000000e-03 -2.0139000000e-03  4.3625000000e-03  1.4678000000e-03  2.5312000000e-03  2.4814000000e-03 -2.7046000000e-03  4.4746000000e-03  7.0200000000e-04  8.1309000000e-03 -3.3481000000e-03 -6.1120000000e-04 -5.2834000000e-03 -3.9230000000e-04 -7.2160000000e-04 -2.8527000000e-03
-
-JOB 494
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4933000000e-02 -8.0903100000e-01 -5.0958900000e-01 -4.4607000000e-02 -2.8789700000e-01  9.1178800000e-01 -2.9842150000e+00 -6.1707100000e-01  2.7297910000e+00 -3.2591370000e+00  2.4746000000e-01  3.0351360000e+00 -3.5612830000e+00 -8.0484200000e-01  1.9895430000e+00
-ENERGY -1.526560132510e+02
-FORCES -7.4740000000e-04 -4.6587000000e-03  2.7153000000e-03  6.2200000000e-05  3.2136000000e-03  1.6754000000e-03  1.5483000000e-03  1.4286000000e-03 -4.7140000000e-03 -4.3332000000e-03  3.3400000000e-03 -1.8472000000e-03  1.0904000000e-03 -3.7320000000e-03 -1.0706000000e-03  2.3796000000e-03  4.0860000000e-04  3.2411000000e-03
-
-JOB 495
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0217000000e-02 -1.7892200000e-01  9.3898700000e-01  1.3245100000e-01 -8.5890100000e-01 -4.0122000000e-01 -3.3009780000e+00  6.9921600000e-01  1.0117330000e+00 -2.8897520000e+00  1.3801520000e+00  1.5441340000e+00 -4.1681940000e+00  1.0474860000e+00  8.0466400000e-01
-ENERGY -1.526534529049e+02
-FORCES -2.0419000000e-03 -4.9218000000e-03  2.0742000000e-03  1.2951000000e-03  1.4394000000e-03 -3.2334000000e-03  1.8220000000e-04  3.3759000000e-03  1.4140000000e-03 -1.1866000000e-03  4.9882000000e-03  1.1970000000e-04 -1.7768000000e-03 -3.3078000000e-03 -1.1565000000e-03  3.5281000000e-03 -1.5737000000e-03  7.8200000000e-04
-
-JOB 496
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6530900000e-01  6.2458000000e-01 -6.2664300000e-01 -7.5140900000e-01 -5.1834100000e-01  2.8799000000e-01  9.7297900000e-01 -1.8363800000e+00 -1.5461720000e+00  8.7551500000e-01 -1.1934280000e+00 -8.4378600000e-01  7.2886600000e-01 -1.3622830000e+00 -2.3410760000e+00
-ENERGY -1.526554323940e+02
-FORCES -3.2600000000e-04 -9.1848000000e-03 -1.0284500000e-02  1.7816000000e-03 -4.3581000000e-03  2.2215000000e-03  4.6763000000e-03  2.7575000000e-03 -2.4732000000e-03 -7.4671000000e-03  1.8589500000e-02  1.1736900000e-02  1.6524000000e-03 -7.2412000000e-03 -3.2108000000e-03 -3.1710000000e-04 -5.6290000000e-04  2.0101000000e-03
-
-JOB 497
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8730100000e-01 -1.4482400000e-01  9.2745700000e-01  1.3725600000e-01 -8.7747100000e-01 -3.5698300000e-01 -3.4407020000e+00  1.0733090000e+00  1.3181060000e+00 -3.1377380000e+00  5.8236800000e-01  2.0819260000e+00 -2.9006990000e+00  1.8636130000e+00  1.3111350000e+00
-ENERGY -1.526533567108e+02
-FORCES -1.2619000000e-03 -4.7507000000e-03  1.5963000000e-03  1.0170000000e-03  1.0990000000e-03 -2.9785000000e-03 -2.0000000000e-04  3.5680000000e-03  1.6271000000e-03  3.6146000000e-03  1.8252000000e-03  1.8986000000e-03 -5.3520000000e-04  1.5525000000e-03 -3.1362000000e-03 -2.6345000000e-03 -3.2941000000e-03  9.9270000000e-04
-
-JOB 498
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0994800000e-01  1.5308600000e-01 -7.9545500000e-01  2.6217200000e-01  8.7408100000e-01  2.8893100000e-01 -1.5328230000e+00 -6.6454000000e-01  2.0970990000e+00 -1.0230710000e+00 -6.3502800000e-01  1.2874610000e+00 -9.9337700000e-01 -2.0056200000e-01  2.7373750000e+00
-ENERGY -1.526583524234e+02
-FORCES -5.4611000000e-03  3.3731000000e-03  4.4037000000e-03  2.3564000000e-03 -5.4340000000e-04  5.0155000000e-03 -1.7222000000e-03 -4.7948000000e-03 -9.6970000000e-04  1.2466200000e-02  4.1227000000e-03 -1.2650300000e-02 -6.4517000000e-03 -2.0088000000e-03  6.4190000000e-03 -1.1875000000e-03 -1.4890000000e-04 -2.2182000000e-03
-
-JOB 499
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5129000000e-01  9.4453100000e-01  3.4708000000e-02  6.7611000000e-01 -3.2975100000e-01 -5.9192200000e-01 -1.8128670000e+00  2.8263100000e-01 -3.1102660000e+00 -1.5072510000e+00 -6.1582400000e-01 -2.9853320000e+00 -1.0218520000e+00  8.1709200000e-01 -3.0404230000e+00
-ENERGY -1.526530794283e+02
-FORCES  2.8663000000e-03  3.0220000000e-03 -8.8950000000e-04 -2.2680000000e-04 -4.1249000000e-03 -6.9050000000e-04 -3.6409000000e-03  1.4196000000e-03  1.2541000000e-03  4.3550000000e-03 -2.1077000000e-03  3.3403000000e-03 -8.4470000000e-04  3.3764000000e-03 -2.0222000000e-03 -2.5089000000e-03 -1.5854000000e-03 -9.9220000000e-04
-
-JOB 500
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5880800000e-01 -3.8204200000e-01 -7.4817800000e-01 -3.2338000000e-02  9.4398600000e-01 -1.5516300000e-01 -1.5350360000e+00  5.0712900000e-01  2.3708750000e+00 -6.6237400000e-01  2.2535200000e-01  2.6452740000e+00 -1.6647370000e+00  9.0861000000e-02  1.5187420000e+00
-ENERGY -1.526576580121e+02
-FORCES -3.9770000000e-04  4.5031000000e-03 -1.8655000000e-03  1.8480000000e-04  2.1376000000e-03  5.1888000000e-03 -2.0470000000e-04 -5.2371000000e-03  2.3520000000e-04  8.6221000000e-03 -5.5510000000e-03 -8.2126000000e-03 -2.9916000000e-03  2.1496000000e-03  2.0294000000e-03 -5.2128000000e-03  1.9979000000e-03  2.6246000000e-03
-
-JOB 501
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2322800000e-01  6.1735200000e-01 -1.0977000000e-01 -5.8912900000e-01  1.8816300000e-01 -7.3058400000e-01 -7.5736200000e-01 -2.4917100000e+00  8.5076000000e-02 -2.6708000000e-01 -3.0562580000e+00  6.8268900000e-01 -3.0776000000e-01 -1.6478170000e+00  1.2903500000e-01
-ENERGY -1.526588292128e+02
-FORCES -1.7327000000e-03 -7.9809000000e-03 -1.9936000000e-03 -4.6005000000e-03 -1.9926000000e-03 -3.4140000000e-04  4.6978000000e-03 -1.5965000000e-03  4.1524000000e-03  7.3234000000e-03  1.5042200000e-02  1.9960000000e-03 -8.9700000000e-05  2.9195000000e-03 -1.3870000000e-03 -5.5981000000e-03 -6.3917000000e-03 -2.4264000000e-03
-
-JOB 502
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8312300000e-01 -4.6337000000e-02  8.2503100000e-01  8.9883100000e-01 -2.3049400000e-01  2.3496100000e-01  7.7472000000e-02 -4.3414100000e-01  2.7592480000e+00  3.8557000000e-01  1.4193600000e-01  3.4588500000e+00  2.5817600000e-01 -1.3180240000e+00  3.0791360000e+00
-ENERGY -1.526589661633e+02
-FORCES  2.8113000000e-03 -2.0333000000e-03  1.3663200000e-02 -2.5348000000e-03  8.6480000000e-04 -6.0513000000e-03 -6.8170000000e-04  2.3020000000e-04 -3.3977000000e-03  1.1870000000e-03 -2.0110000000e-04  3.9190000000e-04 -8.0420000000e-04 -3.5498000000e-03 -3.1442000000e-03  2.2400000000e-05  4.6893000000e-03 -1.4619000000e-03
-
-JOB 503
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3700700000e-01  1.7445800000e-01 -8.8401000000e-02 -8.2150000000e-02 -9.4403300000e-01 -1.3522300000e-01 -1.6418680000e+00  3.9232700000e-01  2.1132850000e+00 -2.0461550000e+00  1.2256170000e+00  1.8715980000e+00 -1.1410430000e+00  1.3511600000e-01  1.3391740000e+00
-ENERGY -1.526588958053e+02
-FORCES  1.4232000000e-03  1.0355000000e-03  5.5472000000e-03 -4.4224000000e-03 -2.1667000000e-03 -1.2467000000e-03 -5.3840000000e-04  5.9147000000e-03  3.2635000000e-03  9.1793000000e-03  1.6530000000e-03 -1.2906300000e-02  1.2390000000e-03 -2.0015000000e-03  7.6880000000e-04 -6.8807000000e-03 -4.4351000000e-03  4.5734000000e-03
-
-JOB 504
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9695900000e-01 -4.7196900000e-01  8.0912600000e-01 -6.2892900000e-01  7.2139900000e-01 -1.6203000000e-02 -5.9931000000e-02  2.7659060000e+00 -8.0297300000e-01  7.1712000000e-01  2.6332320000e+00 -1.3459480000e+00 -7.3341700000e-01  3.0609630000e+00 -1.4158270000e+00
-ENERGY -1.526583785481e+02
-FORCES -2.5002000000e-03  6.5201000000e-03  1.3116000000e-03  3.4440000000e-04  2.8366000000e-03 -2.8191000000e-03 -8.4830000000e-04 -8.3284000000e-03  1.2941000000e-03  4.7579000000e-03 -7.0280000000e-04 -4.6916000000e-03 -4.0407000000e-03  2.6106000000e-03  1.5500000000e-03  2.2869000000e-03 -2.9361000000e-03  3.3551000000e-03
-
-JOB 505
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7504000000e-02  2.1156900000e-01  9.3277200000e-01 -7.4491000000e-01  5.0227300000e-01 -3.3024600000e-01 -1.6678850000e+00  1.8221090000e+00 -2.0183360000e+00 -1.2210800000e+00  2.4779370000e+00 -1.4830920000e+00 -1.0548030000e+00  1.6341500000e+00 -2.7289930000e+00
-ENERGY -1.526588300289e+02
-FORCES -5.1727000000e-03  2.0992000000e-03  1.4790000000e-04 -4.6300000000e-04  1.8650000000e-04 -3.9355000000e-03  6.6629000000e-03 -1.9528000000e-03  5.5616000000e-03  4.5758000000e-03  3.5580000000e-03 -4.7457000000e-03 -2.2896000000e-03 -5.2084000000e-03 -4.7820000000e-04 -3.3134000000e-03  1.3174000000e-03  3.4500000000e-03
-
-JOB 506
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7387400000e-01  7.4211700000e-01  4.7509200000e-01  3.4865400000e-01  8.3018000000e-02 -8.8757000000e-01 -2.7050360000e+00 -5.7950100000e-01  5.9186200000e-01 -2.5751880000e+00 -8.5348600000e-01  1.4997740000e+00 -1.8196480000e+00 -4.6018700000e-01  2.4822700000e-01
-ENERGY -1.526611969249e+02
-FORCES -1.6800000000e-05  3.4905000000e-03 -1.5150000000e-04 -8.1190000000e-04 -3.7959000000e-03 -2.8700000000e-03 -1.6994000000e-03  3.0650000000e-04  4.6831000000e-03  1.2371400000e-02  1.0205000000e-03 -1.9820000000e-04 -4.7600000000e-04  1.3026000000e-03 -2.1801000000e-03 -9.3673000000e-03 -2.3243000000e-03  7.1670000000e-04
-
-JOB 507
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3277100000e-01  1.5295000000e-01 -4.4646400000e-01 -3.0025300000e-01 -8.4490900000e-01 -3.3497700000e-01  2.9392680000e+00  5.2565300000e-01 -2.1027700000e-01  3.1048650000e+00  1.3671920000e+00 -6.3527300000e-01  3.5747810000e+00 -7.1608000000e-02 -6.0478300000e-01
-ENERGY -1.526588738615e+02
-FORCES  7.7405000000e-03 -1.5151000000e-03 -1.7091000000e-03 -9.6991000000e-03 -4.9700000000e-04 -1.3369000000e-03  1.6633000000e-03  2.6981000000e-03  9.6200000000e-04  5.7251000000e-03  1.2628000000e-03 -8.3310000000e-04 -1.8645000000e-03 -4.9078000000e-03  1.4215000000e-03 -3.5653000000e-03  2.9590000000e-03  1.4957000000e-03
-
-JOB 508
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6672700000e-01  2.2442500000e-01 -8.9147200000e-01 -7.1315400000e-01 -6.2823600000e-01 -1.1384900000e-01 -1.1543530000e+00  2.2429360000e+00  9.0144300000e-01 -1.3451130000e+00  1.8337610000e+00  1.7454920000e+00 -6.1705400000e-01  1.5997960000e+00  4.3893700000e-01
-ENERGY -1.526576131170e+02
-FORCES -6.4439000000e-03  2.6619000000e-03  6.9500000000e-05 -3.4154000000e-03  1.5903000000e-03  6.1997000000e-03  4.1472000000e-03  3.3128000000e-03  4.5420000000e-04  8.6084000000e-03 -1.7259700000e-02 -2.2191000000e-03 -7.8210000000e-04  1.2096000000e-03 -1.8819000000e-03 -2.1142000000e-03  8.4850000000e-03 -2.6224000000e-03
-
-JOB 509
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7574300000e-01 -4.7914800000e-01  2.9132700000e-01 -7.1056700000e-01 -6.3921600000e-01  5.2251000000e-02  1.5718230000e+00  6.8565000000e-02 -2.2316520000e+00  2.2231440000e+00  6.9929000000e-01 -1.9247330000e+00  9.3438000000e-01  1.6080000000e-02 -1.5195120000e+00
-ENERGY -1.526580475936e+02
-FORCES  9.8030000000e-04 -3.7546000000e-03 -9.1620000000e-04 -3.4257000000e-03  4.0082000000e-03 -6.8558000000e-03  4.6881000000e-03  2.9894000000e-03 -4.6200000000e-04 -9.7052000000e-03  3.8837000000e-03  1.0965900000e-02 -1.9301000000e-03 -2.8330000000e-03  5.0730000000e-04  9.3926000000e-03 -4.2938000000e-03 -3.2392000000e-03
-
-JOB 510
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5506700000e-01  3.3442400000e-01 -7.0448100000e-01 -8.9407200000e-01  1.5178100000e-01 -3.0631700000e-01  9.3610100000e-01 -2.2876940000e+00  1.0496670000e+00  5.0281500000e-01 -1.5653460000e+00  5.9501400000e-01  1.7176990000e+00 -2.4660580000e+00  5.2667400000e-01
-ENERGY -1.526589021692e+02
-FORCES  1.6058000000e-03 -3.4349000000e-03 -1.8310000000e-04 -3.3241000000e-03 -2.6275000000e-03  3.3181000000e-03  5.3823000000e-03 -7.5060000000e-04  9.6350000000e-04 -4.5326000000e-03  1.3810100000e-02 -7.2458000000e-03  3.1444000000e-03 -8.7617000000e-03  2.4656000000e-03 -2.2758000000e-03  1.7646000000e-03  6.8160000000e-04
-
-JOB 511
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2275300000e-01  4.5456400000e-01  8.3338800000e-01  6.9270400000e-01 -6.3727600000e-01  1.7398700000e-01  1.7213570000e+00  1.1420740000e+00 -1.9767100000e+00  2.2333640000e+00  5.3315100000e-01 -2.5089620000e+00  1.1331840000e+00  5.8199300000e-01 -1.4701590000e+00
-ENERGY -1.526585167079e+02
-FORCES  1.9893000000e-03  2.8773000000e-03  5.4623000000e-03  3.3130000000e-04 -3.6922000000e-03 -3.1269000000e-03 -2.1335000000e-03  4.8982000000e-03 -4.4710000000e-03 -6.6859000000e-03 -3.8422000000e-03  4.3800000000e-03 -2.4567000000e-03  7.4330000000e-04  3.4873000000e-03  8.9555000000e-03 -9.8440000000e-04 -5.7317000000e-03
-
-JOB 512
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3441600000e-01 -8.8688000000e-02 -7.8915500000e-01 -2.4854400000e-01 -8.9692300000e-01  2.2357600000e-01  2.2460940000e+00  6.9713600000e-01  1.3819220000e+00  1.3167940000e+00  6.6775600000e-01  1.1543890000e+00  2.2673470000e+00  5.3699600000e-01  2.3253920000e+00
-ENERGY -1.526601847311e+02
-FORCES  6.7445000000e-03 -4.1870000000e-03 -9.9360000000e-04 -3.3855000000e-03  2.7390000000e-04  4.3057000000e-03  1.3948000000e-03  4.2975000000e-03 -9.0090000000e-04 -1.1968200000e-02 -2.5142000000e-03 -3.8075000000e-03  9.0407000000e-03  2.6321000000e-03  4.7403000000e-03 -1.8262000000e-03 -5.0230000000e-04 -3.3440000000e-03
-
-JOB 513
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8672700000e-01  8.9692100000e-01  1.7190600000e-01  5.2023000000e-02 -9.0379000000e-02 -9.5150300000e-01 -1.1162270000e+00 -1.8793210000e+00  1.9124380000e+00 -1.4298420000e+00 -1.3909380000e+00  1.1512810000e+00 -3.0290400000e-01 -1.4400460000e+00  2.1609820000e+00
-ENERGY -1.526584536074e+02
-FORCES  1.5990000000e-03  2.0839000000e-03 -2.6883000000e-03 -9.2560000000e-04 -4.6489000000e-03 -5.5300000000e-04 -8.5290000000e-04  8.4850000000e-04  4.6056000000e-03  5.7998000000e-03  8.1856000000e-03 -7.1092000000e-03 -3.5332000000e-03 -4.2010000000e-03  2.7592000000e-03 -2.0871000000e-03 -2.2680000000e-03  2.9856000000e-03
-
-JOB 514
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2649100000e-01  2.3764500000e-01 -3.7035000000e-02  2.3222000000e-02 -9.1812900000e-01 -2.6968800000e-01  8.0536600000e-01  1.2078660000e+00 -2.3905340000e+00  7.9209800000e-01  2.1627550000e+00 -2.3253870000e+00  5.3686400000e-01  9.0440200000e-01 -1.5233270000e+00
-ENERGY -1.526608720686e+02
-FORCES -2.6395000000e-03 -3.9561000000e-03 -1.9419000000e-03  6.0167000000e-03 -9.9600000000e-05 -1.6711000000e-03 -6.5200000000e-04  5.6465000000e-03  9.9100000000e-04 -1.8788000000e-03 -3.0276000000e-03  1.2242100000e-02 -9.9460000000e-04 -3.1883000000e-03  1.0387000000e-03  1.4830000000e-04  4.6252000000e-03 -1.0658800000e-02
-
-JOB 515
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9135800000e-01 -6.6096200000e-01 -3.7218000000e-02  5.9320000000e-01 -2.3271200000e-01 -7.1427700000e-01  1.8766460000e+00 -4.7481900000e-01 -1.5818140000e+00  2.3957520000e+00 -9.8084900000e-01 -9.5675800000e-01  2.3857090000e+00  3.2279700000e-01 -1.7263700000e+00
-ENERGY -1.526555760339e+02
-FORCES  1.8746000000e-02 -4.1040000000e-03 -1.9070700000e-02  4.4028000000e-03  1.8560000000e-04 -1.9228000000e-03 -4.9730000000e-03 -5.7100000000e-04  8.0166000000e-03 -1.1705400000e-02  5.9283000000e-03  1.4182800000e-02 -4.2553000000e-03  3.5855000000e-03 -3.0577000000e-03 -2.2152000000e-03 -5.0245000000e-03  1.8517000000e-03
-
-JOB 516
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6938100000e-01 -2.5355100000e-01 -5.0989900000e-01  1.3958000000e-02 -5.8107600000e-01  7.6051800000e-01  1.8008580000e+00 -2.7989000000e-01 -1.7342820000e+00  2.3731660000e+00 -9.8347700000e-01 -1.4282390000e+00  2.2558450000e+00  5.2477200000e-01 -1.4858130000e+00
-ENERGY -1.526526518788e+02
-FORCES  1.6545400000e-02 -3.8390000000e-03 -1.8743200000e-02 -1.1154000000e-03  1.4085000000e-03  1.0414100000e-02  3.5823000000e-03  3.0570000000e-04 -4.5955000000e-03 -7.9957000000e-03  3.7016000000e-03  9.3149000000e-03 -6.7015000000e-03  4.8341000000e-03  2.3888000000e-03 -4.3151000000e-03 -6.4110000000e-03  1.2211000000e-03
-
-JOB 517
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8740200000e-01  8.0233100000e-01 -4.3577100000e-01 -1.5924100000e-01 -6.1714500000e-01 -7.1414700000e-01 -3.4603200000e-01 -4.0959800000e-01  2.6721980000e+00  5.0272000000e-02  3.6224000000e-02  3.4208080000e+00 -1.1138800000e-01  1.3195700000e-01  1.9186110000e+00
-ENERGY -1.526577913891e+02
-FORCES -1.5537000000e-03 -4.5366000000e-03 -2.2370000000e-04 -1.2439000000e-03 -3.6436000000e-03  3.6303000000e-03  1.3777000000e-03  4.2753000000e-03  1.3155000000e-03  1.9977000000e-03  1.9220000000e-03 -9.1861000000e-03 -6.4490000000e-04 -4.0680000000e-04 -4.3081000000e-03  6.7000000000e-05  2.3897000000e-03  8.7721000000e-03
-
-JOB 518
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8062900000e-01 -5.3100100000e-01 -6.9956500000e-01  9.2990800000e-01 -2.2687800000e-01 -5.3770000000e-03 -7.2331200000e-01  9.7271000000e-02  2.7206290000e+00 -4.5912100000e-01  1.3184400000e-01  1.8012600000e+00 -9.6681700000e-01  9.9796200000e-01  2.9343870000e+00
-ENERGY -1.526616608531e+02
-FORCES -4.5720000000e-04 -3.7345000000e-03 -8.2320000000e-04  3.3999000000e-03  2.5543000000e-03  2.3456000000e-03 -5.3545000000e-03  8.8450000000e-04  4.8480000000e-04  1.1540000000e-03  1.9205000000e-03 -1.1235700000e-02  3.2210000000e-04  9.1770000000e-04  1.0546200000e-02  9.3580000000e-04 -2.5426000000e-03 -1.3178000000e-03
-
-JOB 519
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2721500000e-01  5.3450900000e-01 -5.9378200000e-01 -6.3109300000e-01 -5.8209600000e-01  4.2322300000e-01 -1.6973050000e+00 -1.7959680000e+00  1.1004030000e+00 -1.6442290000e+00 -2.7446370000e+00  9.8446400000e-01 -2.5928360000e+00 -1.5728890000e+00  8.4644900000e-01
-ENERGY -1.526592247470e+02
-FORCES -1.0037700000e-02 -9.9264000000e-03  5.3966000000e-03 -1.1600000000e-05 -2.4511000000e-03  2.2693000000e-03  3.8286000000e-03  8.3382000000e-03 -4.2403000000e-03  2.9364000000e-03  3.1100000000e-05 -4.2709000000e-03 -2.2829000000e-03  4.6528000000e-03  8.2750000000e-04  5.5672000000e-03 -6.4450000000e-04  1.7800000000e-05
-
-JOB 520
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0323900000e-01  4.9358200000e-01  1.6557700000e-01  1.1263000000e-01 -8.1358900000e-01  4.9154800000e-01  2.3103900000e-01 -2.0986630000e+00 -3.1225290000e+00  1.1399430000e+00 -1.9420910000e+00 -2.8663850000e+00  1.1101000000e-01 -1.5740520000e+00 -3.9141150000e+00
-ENERGY -1.526533374000e+02
-FORCES  2.7117000000e-03 -2.1256000000e-03  2.6597000000e-03 -3.0433000000e-03 -2.1732000000e-03 -1.3063000000e-03  6.4900000000e-05  3.7706000000e-03 -1.5537000000e-03  2.5651000000e-03  4.4421000000e-03 -1.2695000000e-03 -3.0106000000e-03 -1.4423000000e-03 -1.2493000000e-03  7.1220000000e-04 -2.4715000000e-03  2.7192000000e-03
-
-JOB 521
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6105200000e-01 -1.3085400000e-01  8.2857700000e-01  6.0851100000e-01  7.1792300000e-01  1.7473600000e-01 -2.2286410000e+00  1.5157740000e+00 -1.0125760000e+00 -1.7309740000e+00  2.0259150000e+00 -1.6515710000e+00 -1.6054650000e+00  8.6684900000e-01 -6.8580200000e-01
-ENERGY -1.526595575714e+02
-FORCES  2.2424000000e-03  3.1626000000e-03  4.5533000000e-03  3.9390000000e-04  2.2680000000e-03 -6.5389000000e-03 -3.6891000000e-03 -3.4336000000e-03 -1.3314000000e-03  1.1194900000e-02 -5.9300000000e-03 -7.9300000000e-05 -1.3945000000e-03 -7.4880000000e-04  2.2315000000e-03 -8.7476000000e-03  4.6818000000e-03  1.1649000000e-03
-
-JOB 522
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5521200000e-01 -5.5829000000e-01 -4.1861800000e-01 -5.0567600000e-01  7.1447500000e-01  3.8736100000e-01 -8.2861000000e-02  8.5636000000e-01 -3.5474650000e+00 -1.2073000000e-01  1.5285350000e+00 -4.2278890000e+00 -9.9333700000e-01  7.3672700000e-01 -3.2773680000e+00
-ENERGY -1.526521958327e+02
-FORCES -3.7375000000e-03  7.9770000000e-04 -9.9960000000e-04  1.8757000000e-03  2.5088000000e-03  1.7587000000e-03  1.7592000000e-03 -2.9983000000e-03 -1.6303000000e-03 -3.4176000000e-03  2.5432000000e-03 -1.3385000000e-03  2.5250000000e-04 -2.7701000000e-03  3.0432000000e-03  3.2676000000e-03 -8.1300000000e-05 -8.3350000000e-04
-
-JOB 523
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8598200000e-01  4.1621200000e-01 -7.1191300000e-01 -6.4850700000e-01  6.5346600000e-01  2.6201700000e-01 -6.1568900000e-01 -2.6504190000e+00 -9.1607500000e-01 -2.5035500000e-01 -1.7710960000e+00 -8.1832700000e-01 -7.1265000000e-02 -3.0633380000e+00 -1.5863970000e+00
-ENERGY -1.526591799163e+02
-FORCES -3.5727000000e-03  4.0568000000e-03  6.4170000000e-04 -3.1134000000e-03 -4.6298000000e-03  2.4228000000e-03  4.2889000000e-03 -1.7792000000e-03 -1.4349000000e-03  2.9820000000e-03  7.6840000000e-03  2.6705000000e-03  5.2600000000e-04 -8.4920000000e-03 -6.5305000000e-03 -1.1108000000e-03  3.1601000000e-03  2.2303000000e-03
-
-JOB 524
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6403100000e-01  8.6777900000e-01 -1.7513600000e-01  7.6544000000e-01 -5.6767200000e-01  8.9902000000e-02 -9.3233100000e-01 -2.6695280000e+00 -1.1604220000e+00 -4.6441900000e-01 -2.9790620000e+00 -3.8487100000e-01 -1.0996230000e+00 -3.4612710000e+00 -1.6716830000e+00
-ENERGY -1.526513403242e+02
-FORCES  4.2592000000e-03  1.3560000000e-04 -2.4837000000e-03 -1.8223000000e-03 -3.5921000000e-03  5.2470000000e-04 -3.0923000000e-03  1.5100000000e-03  1.3293000000e-03  4.6780000000e-04 -3.7663000000e-03  2.2628000000e-03 -4.3780000000e-04  1.5551000000e-03 -3.5774000000e-03  6.2540000000e-04  4.1577000000e-03  1.9443000000e-03
-
-JOB 525
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4618600000e-01  4.1317800000e-01 -4.3442300000e-01 -2.9873900000e-01 -1.5296100000e-01  8.9643200000e-01  1.6694010000e+00 -1.7626670000e+00 -1.4688050000e+00  1.3681570000e+00 -1.4493950000e+00 -2.3216500000e+00  1.1213390000e+00 -1.2991020000e+00 -8.3558500000e-01
-ENERGY -1.526603162583e+02
-FORCES -2.5841000000e-03 -4.9000000000e-06 -4.1610000000e-04  3.3355000000e-03 -1.8927000000e-03  2.6815000000e-03  1.0518000000e-03  7.4440000000e-04 -4.9024000000e-03 -7.9816000000e-03  8.9817000000e-03  3.8729000000e-03  7.0450000000e-04 -1.0198000000e-03  1.8823000000e-03  5.4739000000e-03 -6.8087000000e-03 -3.1181000000e-03
-
-JOB 526
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0691500000e-01  8.3912100000e-01 -3.4338200000e-01 -9.5242900000e-01  3.8939000000e-02 -8.7148000000e-02 -2.5068600000e+00 -1.1197150000e+00 -1.5396650000e+00 -2.7660600000e+00 -5.8084800000e-01 -2.2871070000e+00 -3.2263830000e+00 -1.0261480000e+00 -9.1535400000e-01
-ENERGY -1.526556131401e+02
-FORCES -5.1903000000e-03  7.4470000000e-04 -4.5270000000e-03 -1.3172000000e-03 -3.0347000000e-03  9.9880000000e-04  4.5684000000e-03  3.2926000000e-03  4.8331000000e-03 -4.6834000000e-03 -1.6710000000e-04 -3.4419000000e-03  1.3836000000e-03 -1.9791000000e-03  4.0539000000e-03  5.2389000000e-03  1.1436000000e-03 -1.9168000000e-03
-
-JOB 527
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2217400000e-01 -1.2601500000e-01  2.2348800000e-01 -2.0143000000e-01 -7.1717700000e-01 -6.0109500000e-01  2.7344590000e+00  7.7520000000e-03  9.4468200000e-01  3.2846460000e+00 -7.4939500000e-01  1.1453180000e+00  2.6937990000e+00  4.9902800000e-01  1.7651860000e+00
-ENERGY -1.526616607790e+02
-FORCES  9.5124000000e-03 -2.0675000000e-03  8.5750000000e-04 -1.0589900000e-02  5.9500000000e-05 -2.7637000000e-03  1.4799000000e-03  1.7527000000e-03  2.0945000000e-03  1.6018000000e-03 -2.6030000000e-04  4.4219000000e-03 -2.6636000000e-03  3.7786000000e-03 -5.6200000000e-04  6.5940000000e-04 -3.2631000000e-03 -4.0482000000e-03
-
-JOB 528
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6344200000e-01  8.6727600000e-01 -3.0767300000e-01  3.1055500000e-01 -5.9981500000e-01 -6.7823900000e-01 -2.7795350000e+00 -5.2431700000e-01 -6.9489700000e-01 -3.0035790000e+00  1.4936200000e-01 -5.2875000000e-02 -1.8529040000e+00 -7.0625900000e-01 -5.3842100000e-01
-ENERGY -1.526579386301e+02
-FORCES  1.7707000000e-03  3.6465000000e-03 -4.3732000000e-03 -6.9800000000e-04 -4.3293000000e-03  1.7763000000e-03 -5.5055000000e-03  2.4665000000e-03  3.3497000000e-03  9.6609000000e-03  4.7551000000e-03  6.8782000000e-03 -1.2852000000e-03 -1.4767000000e-03 -2.5187000000e-03 -3.9428000000e-03 -5.0621000000e-03 -5.1123000000e-03
-
-JOB 529
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8813800000e-01 -7.5170600000e-01  3.3599400000e-01  6.6808200000e-01  6.6490900000e-01 -1.6671600000e-01  3.9948500000e-01 -5.3904100000e-01  3.2473980000e+00  1.8704000000e-02  1.8007400000e-01  2.7433030000e+00  1.4244600000e-01 -1.3285060000e+00  2.7710480000e+00
-ENERGY -1.526563829330e+02
-FORCES  6.4019000000e-03 -4.8700000000e-04 -1.2555000000e-03 -3.7568000000e-03  2.6707000000e-03 -2.6500000000e-05 -3.4590000000e-03 -2.6663000000e-03  1.1383000000e-03 -5.1066000000e-03  8.0830000000e-04 -4.6837000000e-03  3.1303000000e-03 -2.7145000000e-03  4.1451000000e-03  2.7904000000e-03  2.3887000000e-03  6.8230000000e-04
-
-JOB 530
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8534500000e-01  4.9998900000e-01  2.2243300000e-01  3.2356300000e-01 -7.3756100000e-01 -5.1724500000e-01  1.8091720000e+00  1.1005820000e+00  1.8834300000e+00  2.6920870000e+00  1.4219200000e+00  1.7005750000e+00  1.7888530000e+00  9.8190100000e-01  2.8330270000e+00
-ENERGY -1.526579145271e+02
-FORCES  7.4308000000e-03  1.8508000000e-03  5.2351000000e-03 -3.2773000000e-03 -2.0419000000e-03 -7.8060000000e-03 -3.3010000000e-04  2.6603000000e-03  2.1116000000e-03 -1.2045000000e-03 -1.5437000000e-03  4.7179000000e-03 -4.6901000000e-03 -2.3949000000e-03 -4.5130000000e-04  2.0713000000e-03  1.4694000000e-03 -3.8073000000e-03
-
-JOB 531
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4364100000e-01 -1.0406600000e-01 -1.2224300000e-01 -3.5074300000e-01  6.9926000000e-02 -8.8787500000e-01 -8.6227000000e-01  1.7499000000e-01 -2.8023620000e+00 -1.8051690000e+00  2.1122200000e-01 -2.9631730000e+00 -5.8498800000e-01 -6.5649900000e-01 -3.1870350000e+00
-ENERGY -1.526613769748e+02
-FORCES -2.8200000000e-04  1.8065000000e-03 -1.0410400000e-02 -2.8369000000e-03 -3.3060000000e-04  7.0400000000e-05  2.6564000000e-03 -2.2283000000e-03  1.0123300000e-02 -3.2380000000e-03 -2.6535000000e-03 -3.3930000000e-03  4.9821000000e-03 -8.5420000000e-04  7.7470000000e-04 -1.2816000000e-03  4.2601000000e-03  2.8350000000e-03
-
-JOB 532
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7224500000e-01  6.8042500000e-01 -3.6612000000e-02 -4.3682800000e-01  4.8215000000e-02 -8.5034600000e-01  1.0297840000e+00 -1.8858720000e+00  2.4590090000e+00  1.5640220000e+00 -1.3635230000e+00  1.8607020000e+00  1.6015410000e+00 -2.6061100000e+00  2.7246840000e+00
-ENERGY -1.526536646457e+02
-FORCES -1.2903000000e-03  3.1123000000e-03 -4.4088000000e-03 -1.7705000000e-03 -4.2750000000e-03  1.0175000000e-03  1.9009000000e-03  7.4500000000e-05  3.7035000000e-03  3.2841000000e-03  2.4220000000e-04 -3.4276000000e-03  4.3790000000e-04 -2.0104000000e-03  4.4386000000e-03 -2.5620000000e-03  2.8565000000e-03 -1.3231000000e-03
-
-JOB 533
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1837000000e-01 -2.0767200000e-01 -1.7234100000e-01 -4.5631100000e-01 -8.3653800000e-01 -9.0644000000e-02 -1.0742740000e+00 -2.7212660000e+00  2.2100200000e-01 -1.8706080000e+00 -2.8824990000e+00 -2.8504900000e-01 -4.2283800000e-01 -3.3079660000e+00 -1.6324600000e-01
-ENERGY -1.526599491721e+02
-FORCES -1.4363000000e-03 -1.0527400000e-02  1.1926000000e-03 -2.7137000000e-03  1.9570000000e-04  2.6250000000e-04  3.1971000000e-03  9.4483000000e-03 -3.1101000000e-03 -8.6540000000e-04 -4.8528000000e-03 -1.8132000000e-03  4.8735000000e-03  1.6255000000e-03  2.1036000000e-03 -3.0551000000e-03  4.1108000000e-03  1.3647000000e-03
-
-JOB 534
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1381200000e-01  1.8761400000e-01 -8.8462100000e-01  9.3583100000e-01 -1.6951000000e-01 -1.0825200000e-01  2.6718390000e+00 -4.2857500000e-01 -4.0012800000e-01  2.9320690000e+00 -1.4174000000e-02 -1.2227960000e+00  3.1943740000e+00 -1.2295140000e+00 -3.5906000000e-01
-ENERGY -1.526598278117e+02
-FORCES  1.3434500000e-02 -2.8256000000e-03 -3.4643000000e-03  2.0872000000e-03 -3.1350000000e-04  1.9857000000e-03 -9.2647000000e-03  3.0108000000e-03  8.9900000000e-05 -2.5576000000e-03 -1.6012000000e-03 -9.8550000000e-04 -2.1923000000e-03 -2.9746000000e-03  3.8517000000e-03 -1.5071000000e-03  4.7042000000e-03 -1.4774000000e-03
-
-JOB 535
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8871400000e-01 -1.6933300000e-01 -8.5817200000e-01  5.8927900000e-01 -4.3033500000e-01  6.1951100000e-01 -2.5392910000e+00 -1.1103600000e-01 -7.6493000000e-01 -2.2772850000e+00  4.8018600000e-01 -1.4706510000e+00 -1.7597640000e+00 -1.8843400000e-01 -2.1485900000e-01
-ENERGY -1.526578073236e+02
-FORCES -4.5691000000e-03 -2.5264000000e-03 -4.2079000000e-03 -2.0460000000e-03  1.3534000000e-03  4.6249000000e-03 -3.0057000000e-03  1.6626000000e-03 -4.0317000000e-03  1.6765900000e-02  3.2447000000e-03  5.0687000000e-03 -1.6070000000e-04 -2.2823000000e-03  5.8420000000e-04 -6.9844000000e-03 -1.4520000000e-03 -2.0383000000e-03
-
-JOB 536
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7301400000e-01  6.6872600000e-01  6.2809300000e-01  2.0638000000e-02  4.5543100000e-01 -8.4165800000e-01 -6.2505000000e-02  2.0828760000e+00 -1.8601600000e+00 -9.2778600000e-01  2.1525220000e+00 -2.2634860000e+00  4.2752000000e-02  2.9013270000e+00 -1.3750920000e+00
-ENERGY -1.526588226771e+02
-FORCES -5.1300000000e-04  1.2548700000e-02 -7.7663000000e-03  5.9640000000e-04 -1.7650000000e-03 -4.5960000000e-04 -1.0275000000e-03 -7.7809000000e-03  3.5867000000e-03 -1.7342000000e-03  1.8342000000e-03  3.6051000000e-03  4.3790000000e-03 -8.3540000000e-04  3.2216000000e-03 -1.7008000000e-03 -4.0016000000e-03 -2.1876000000e-03
-
-JOB 537
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7407700000e-01  8.5887700000e-01 -1.9654200000e-01 -7.5089200000e-01 -5.3623200000e-01  2.5465400000e-01  1.8683230000e+00  1.5970930000e+00 -2.0903480000e+00  1.7523270000e+00  1.5141980000e+00 -1.1438250000e+00  1.7790650000e+00  2.5345590000e+00 -2.2618790000e+00
-ENERGY -1.526548053612e+02
-FORCES -5.8135000000e-03 -4.8300000000e-04 -1.0471000000e-03  3.5979000000e-03 -2.5655000000e-03  2.0528000000e-03  2.7952000000e-03  2.4942000000e-03 -1.1742000000e-03  5.7030000000e-04  1.0968000000e-03  3.7974000000e-03 -4.7810000000e-04  3.5715000000e-03 -4.7118000000e-03 -6.7180000000e-04 -4.1140000000e-03  1.0829000000e-03
-
-JOB 538
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5262700000e-01 -5.6507000000e-02  7.4441000000e-02  2.3687800000e-01 -7.1163600000e-01 -5.9472300000e-01  1.1338200000e-01  2.5605700000e+00 -9.2174600000e-01  6.5173100000e-01  3.0322250000e+00 -2.8617200000e-01  1.6682500000e-01  1.6446780000e+00 -6.4876800000e-01
-ENERGY -1.526612196564e+02
-FORCES -2.5537000000e-03  1.0733000000e-03 -2.6841000000e-03  5.8598000000e-03  7.2050000000e-04 -1.5262000000e-03 -2.0808000000e-03  4.0820000000e-03  2.9051000000e-03  2.2078000000e-03 -1.3585300000e-02  6.7746000000e-03 -1.5003000000e-03 -1.9600000000e-03 -1.3942000000e-03 -1.9327000000e-03  9.6696000000e-03 -4.0753000000e-03
-
-JOB 539
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8095600000e-01  2.2960200000e-01  8.4757700000e-01  8.5912100000e-01  4.2207000000e-01  7.8300000000e-04 -4.5420100000e-01 -2.7656850000e+00 -1.4022540000e+00 -3.9152100000e-01 -3.6912750000e+00 -1.1664910000e+00 -5.4129800000e-01 -2.7662040000e+00 -2.3554840000e+00
-ENERGY -1.526510177658e+02
-FORCES  1.8845000000e-03  1.0008000000e-03  3.3300000000e-03  1.5019000000e-03 -1.0344000000e-03 -3.5518000000e-03 -3.6205000000e-03 -1.7457000000e-03 -3.8490000000e-04 -1.0570000000e-04 -2.5472000000e-03 -3.0795000000e-03 -2.0880000000e-04  4.3624000000e-03 -3.7430000000e-04  5.4860000000e-04 -3.5800000000e-05  4.0606000000e-03
-
-JOB 540
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4031600000e-01 -6.3289500000e-01  6.7670100000e-01 -8.3544600000e-01  2.8164400000e-01 -3.7274400000e-01 -2.6340610000e+00  2.7935700000e-01  1.9436400000e+00 -2.2917160000e+00 -6.0577700000e-01  1.8188630000e+00 -3.2771250000e+00  3.8891300000e-01  1.2431410000e+00
-ENERGY -1.526516167064e+02
-FORCES -5.8208000000e-03  1.1927000000e-03  3.7445000000e-03 -1.7860000000e-04  2.7790000000e-04 -2.4878000000e-03  3.0719000000e-03 -2.2922000000e-03 -2.9700000000e-04 -2.1326000000e-03 -2.7653000000e-03 -2.2614000000e-03  1.0474000000e-03  3.9914000000e-03 -1.0667000000e-03  4.0127000000e-03 -4.0440000000e-04  2.3685000000e-03
-
-JOB 541
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3799200000e-01  4.4071000000e-02 -1.8563500000e-01  2.2357800000e-01  8.7557600000e-01  3.1561400000e-01  1.3657480000e+00 -2.2852100000e+00 -2.7371810000e+00  4.9150200000e-01 -2.1074220000e+00 -3.0840480000e+00  1.8077190000e+00 -2.7674100000e+00 -3.4360210000e+00
-ENERGY -1.526525694399e+02
-FORCES -2.2581000000e-03  3.8637000000e-03  7.2120000000e-04  3.8378000000e-03 -4.5750000000e-04  2.5750000000e-04 -1.0314000000e-03 -3.6638000000e-03 -1.1887000000e-03 -2.2847000000e-03 -7.0440000000e-04 -3.6906000000e-03  3.3832000000e-03 -1.1610000000e-03  8.0780000000e-04 -1.6468000000e-03  2.1229000000e-03  3.0927000000e-03
-
-JOB 542
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6766300000e-01  2.6221400000e-01 -8.8081300000e-01 -8.1479000000e-01  4.7770000000e-01  1.5541000000e-01  3.1737820000e+00 -1.1591570000e+00  9.1952300000e-01  3.8724170000e+00 -1.8003590000e+00  7.8913600000e-01  2.3925920000e+00 -1.6862050000e+00  1.0874310000e+00
-ENERGY -1.526556300766e+02
-FORCES -1.4436000000e-03  4.1492000000e-03 -3.3050000000e-03 -2.2391000000e-03 -1.2123000000e-03  3.3016000000e-03  3.3510000000e-03 -1.9893000000e-03 -7.1010000000e-04 -2.1208000000e-03 -4.3203000000e-03  6.6400000000e-04 -2.8780000000e-03  2.7111000000e-03  2.5680000000e-04  5.3304000000e-03  6.6150000000e-04 -2.0720000000e-04
-
-JOB 543
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3713700000e-01  1.8847500000e-01 -6.8903200000e-01 -6.1915300000e-01  7.2890400000e-01 -3.9751000000e-02  1.8084200000e+00  6.2072800000e-01  1.8634110000e+00  1.2769080000e+00  5.1451000000e-01  1.0744590000e+00  1.3362190000e+00  1.2694400000e+00  2.3853590000e+00
-ENERGY -1.526543119998e+02
-FORCES  1.6995000000e-03  3.1545000000e-03  2.1382000000e-03 -9.1080000000e-04  9.6130000000e-04  9.7336000000e-03  5.0860000000e-03 -3.2952000000e-03  1.5715000000e-03 -1.5596600000e-02 -4.0684000000e-03 -9.8970000000e-03  9.0660000000e-03  4.8057000000e-03 -1.3256000000e-03  6.5590000000e-04 -1.5580000000e-03 -2.2207000000e-03
-
-JOB 544
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3839500000e-01  6.0743900000e-01  4.4971000000e-02  4.8895000000e-01  2.7364600000e-01 -7.7606500000e-01 -2.7497700000e-01  2.9428280000e+00 -1.6857920000e+00 -4.5939800000e-01  3.6688530000e+00 -1.0898830000e+00  6.7644100000e-01  2.8425130000e+00 -1.6546180000e+00
-ENERGY -1.526565392838e+02
-FORCES -2.7518000000e-03  5.4018000000e-03 -5.0024000000e-03  2.4263000000e-03 -3.7342000000e-03  2.3692000000e-03  7.1880000000e-04 -1.6379000000e-03  3.1515000000e-03  3.5351000000e-03  4.9123000000e-03  1.9716000000e-03  5.6360000000e-04 -3.6191000000e-03 -2.5051000000e-03 -4.4921000000e-03 -1.3230000000e-03  1.5300000000e-05
-
-JOB 545
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4797800000e-01  1.8934700000e-01 -9.0492300000e-01 -6.6050600000e-01  4.4786700000e-01  5.2856300000e-01 -3.3111100000e-01  3.0941700000e-01 -2.5672860000e+00 -2.0994600000e-01  1.2463160000e+00 -2.4131110000e+00  1.1198000000e-02  1.6513100000e-01 -3.4494640000e+00
-ENERGY -1.526539871779e+02
-FORCES -2.8395000000e-03 -2.1044000000e-03 -1.4576000000e-02 -6.0200000000e-04  9.7658000000e-03  4.0453000000e-03  1.7366000000e-03 -5.5500000000e-05 -4.4841000000e-03  5.1023000000e-03 -3.0411000000e-03  7.2786000000e-03 -1.3126000000e-03 -7.6477000000e-03  4.1405000000e-03 -2.0849000000e-03  3.0830000000e-03  3.5958000000e-03
-
-JOB 546
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4056000000e-02 -1.0778700000e-01 -9.5050200000e-01 -1.3791800000e-01 -8.8152700000e-01  3.4658500000e-01  4.4468500000e-01 -3.1601900000e-01 -2.6528720000e+00  1.3845830000e+00 -1.5467200000e-01 -2.5704720000e+00  6.8036000000e-02  5.4562100000e-01 -2.8316020000e+00
-ENERGY -1.526588292943e+02
-FORCES  1.2043000000e-03 -6.3230000000e-03 -1.5384500000e-02 -1.9297000000e-03  6.6490000000e-03  7.7232000000e-03  8.7030000000e-04  2.3132000000e-03 -1.4744000000e-03  4.1746000000e-03  3.5058000000e-03  3.5949000000e-03 -5.8418000000e-03 -5.6240000000e-04 -1.1570000000e-04  1.5222000000e-03 -5.5825000000e-03  5.6564000000e-03
-
-JOB 547
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8143100000e-01  3.1771200000e-01  1.9588300000e-01  1.3669900000e-01 -7.2988900000e-01 -6.0399300000e-01  2.6845600000e-01 -2.0174880000e+00 -1.6518260000e+00  9.6462100000e-01 -2.2657800000e+00 -2.2600510000e+00 -5.1374000000e-01 -1.9454750000e+00 -2.1988310000e+00
-ENERGY -1.526583289784e+02
-FORCES  5.3922000000e-03 -1.4650300000e-02 -1.1212100000e-02 -1.6884000000e-03 -1.5939000000e-03 -1.3313000000e-03 -4.6850000000e-03  6.5227000000e-03  3.8189000000e-03  1.2630000000e-04  8.3476000000e-03  3.3263000000e-03 -4.4726000000e-03  9.3100000000e-04  2.1756000000e-03  5.3276000000e-03  4.4310000000e-04  3.2226000000e-03
-
-JOB 548
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0004000000e-02 -4.2079000000e-01 -8.5502400000e-01 -2.0477100000e-01 -6.9077800000e-01  6.3018000000e-01  2.8759480000e+00  5.1535100000e-01 -3.6287500000e-01  3.3082280000e+00 -2.6463900000e-01 -1.5052000000e-02  1.9551240000e+00  4.0523700000e-01 -1.2582900000e-01
-ENERGY -1.526608583548e+02
-FORCES -3.5555000000e-03 -4.3546000000e-03 -1.4039000000e-03  1.6471000000e-03  1.8275000000e-03  5.3015000000e-03  2.0069000000e-03  3.0379000000e-03 -3.6303000000e-03 -8.6042000000e-03 -2.9152000000e-03  3.7551000000e-03 -2.0258000000e-03  2.0400000000e-03 -1.1214000000e-03  1.0531600000e-02  3.6450000000e-04 -2.9009000000e-03
-
-JOB 549
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4270900000e-01  4.3999900000e-01 -4.1354000000e-01  6.1107000000e-02 -9.0698800000e-01 -2.9978500000e-01 -5.5667500000e-01  2.5719100000e-01  2.7533090000e+00  3.9501400000e-01  2.1069100000e-01  2.8447330000e+00 -7.1979800000e-01  4.9735000000e-02  1.8332090000e+00
-ENERGY -1.526588809170e+02
-FORCES  3.2292000000e-03  1.0538000000e-03  2.9060000000e-04 -2.8916000000e-03 -3.4167000000e-03  1.3932000000e-03 -9.2700000000e-05  4.6599000000e-03  2.6681000000e-03  5.6376000000e-03 -5.1230000000e-04 -1.2445800000e-02 -1.9825000000e-03  2.9840000000e-04  1.4867000000e-03 -3.9000000000e-03 -2.0831000000e-03  6.6071000000e-03
-
-JOB 550
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4911200000e-01 -1.0904000000e-01  4.2819600000e-01 -5.4221400000e-01 -7.0187700000e-01  3.6000500000e-01  1.0652660000e+00  1.3564930000e+00 -2.2954520000e+00  2.0038190000e+00  1.3459720000e+00 -2.4831760000e+00  9.6444800000e-01  7.7331600000e-01 -1.5431400000e+00
-ENERGY -1.526570901162e+02
-FORCES -2.0336000000e-03 -3.3261000000e-03  2.3838000000e-03 -3.1184000000e-03  1.2188000000e-03 -6.0972000000e-03  3.0917000000e-03  3.5046000000e-03 -1.6430000000e-04 -2.3610000000e-03 -4.4537000000e-03  5.1464000000e-03 -3.4051000000e-03 -8.6710000000e-04  2.3130000000e-03  7.8265000000e-03  3.9235000000e-03 -3.5818000000e-03
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-JOB 551
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0542200000e-01 -8.4078800000e-01  3.4062400000e-01  5.7185900000e-01  6.4778100000e-01  4.1181100000e-01 -7.8181100000e-01  1.6872830000e+00 -2.2132900000e+00 -4.8787400000e-01  1.0251410000e+00 -1.5876700000e+00 -1.5242230000e+00  1.2815950000e+00 -2.6610330000e+00
-ENERGY -1.526611509393e+02
-FORCES  2.7543000000e-03 -1.1204000000e-03  2.2010000000e-03 -9.7930000000e-04  4.3930000000e-03 -1.7140000000e-04 -2.7546000000e-03 -3.8364000000e-03 -3.1080000000e-03 -5.5660000000e-04 -8.2172000000e-03  5.3872000000e-03 -7.3460000000e-04  7.7862000000e-03 -5.4408000000e-03  2.2709000000e-03  9.9480000000e-04  1.1319000000e-03
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-JOB 552
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4553500000e-01 -2.2970400000e-01  5.5465700000e-01  1.7057400000e-01  9.0244000000e-01 -2.6969900000e-01  1.7703460000e+00 -9.0014200000e-01  2.0991970000e+00  1.8577830000e+00 -2.5972700000e-01  2.8052110000e+00  2.6584990000e+00 -1.0034160000e+00  1.7575100000e+00
-ENERGY -1.526599446552e+02
-FORCES  6.5763000000e-03 -1.3886000000e-03  7.1213000000e-03 -4.2359000000e-03  4.2284000000e-03 -9.4273000000e-03  3.3780000000e-04 -2.9839000000e-03  1.8357000000e-03  2.5933000000e-03  1.0118000000e-03  4.2895000000e-03  3.7290000000e-04 -2.9750000000e-03 -4.2500000000e-03 -5.6443000000e-03  2.1073000000e-03  4.3070000000e-04
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-JOB 553
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3650500000e-01  6.0092300000e-01 -3.8727900000e-01  3.0450000000e-02  2.4585400000e-01  9.2458700000e-01  2.7145490000e+00  1.3352850000e+00 -9.2669000000e-01  2.2126640000e+00  8.4341500000e-01 -1.5766190000e+00  3.5205600000e+00  1.5803610000e+00 -1.3811300000e+00
-ENERGY -1.526556118311e+02
-FORCES -7.8260000000e-04  4.6352000000e-03  4.3072000000e-03  2.8708000000e-03 -2.7030000000e-03  6.7110000000e-04 -1.7436000000e-03 -1.6488000000e-03 -3.3889000000e-03 -7.0660000000e-04 -2.9837000000e-03 -3.9471000000e-03  3.9765000000e-03  3.8855000000e-03  3.0680000000e-04 -3.6145000000e-03 -1.1852000000e-03  2.0509000000e-03
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-JOB 554
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5784300000e-01 -1.5173300000e-01 -9.3182300000e-01 -4.9301900000e-01 -7.6822000000e-01  2.8810200000e-01  2.1634720000e+00 -1.6378650000e+00  2.3039920000e+00  1.5440380000e+00 -2.0153270000e+00  2.9285360000e+00  2.9133440000e+00 -1.3760060000e+00  2.8381770000e+00
-ENERGY -1.526527638560e+02
-FORCES  4.8300000000e-04 -5.0072000000e-03 -1.6697000000e-03 -8.8940000000e-04  9.4840000000e-04  3.4638000000e-03  6.0630000000e-04  3.2764000000e-03 -1.2550000000e-03  7.2150000000e-04  9.2650000000e-04  4.7499000000e-03  2.0395000000e-03  1.2188000000e-03 -3.0678000000e-03 -2.9609000000e-03 -1.3628000000e-03 -2.2212000000e-03
-
-JOB 555
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2077000000e-01  2.9372000000e-02 -9.3093000000e-01  5.7360400000e-01  7.5439500000e-01  1.3453100000e-01 -2.0098290000e+00  1.1746560000e+00  1.7369290000e+00 -1.3324240000e+00  5.7243200000e-01  1.4292280000e+00 -2.6303810000e+00  1.2294020000e+00  1.0101900000e+00
-ENERGY -1.526597137259e+02
-FORCES  4.2280000000e-04  4.3301000000e-03 -3.8133000000e-03  1.1276000000e-03  4.2440000000e-04  4.2976000000e-03 -3.8484000000e-03 -4.0387000000e-03 -1.8760000000e-04  4.5368000000e-03 -6.2859000000e-03 -8.9670000000e-03 -3.4344000000e-03  4.9234000000e-03  6.5117000000e-03  1.1955000000e-03  6.4670000000e-04  2.1587000000e-03
-
-JOB 556
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5872200000e-01 -6.0700200000e-01  4.8539700000e-01  5.5646100000e-01  3.2445600000e-01 -7.0803300000e-01  8.0321700000e-01  1.5152120000e+00 -2.1152090000e+00  1.7417840000e+00  1.6284530000e+00 -2.2652100000e+00  4.4507000000e-01  2.4019790000e+00 -2.1552860000e+00
-ENERGY -1.526589487317e+02
-FORCES  3.7787000000e-03  5.7972000000e-03 -9.1725000000e-03 -1.3580000000e-04  3.0225000000e-03 -3.2876000000e-03  6.8020000000e-04 -7.0844000000e-03  7.8682000000e-03 -2.8580000000e-03  3.5001000000e-03  3.4149000000e-03 -4.7587000000e-03 -1.6152000000e-03  2.5987000000e-03  3.2937000000e-03 -3.6202000000e-03 -1.4218000000e-03
-
-JOB 557
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8329600000e-01 -4.8375400000e-01  8.0536700000e-01 -6.2260400000e-01  6.7762000000e-01  2.6349000000e-01  2.0007540000e+00  1.5232600000e-01 -1.7497900000e+00  1.3349310000e+00 -9.2669000000e-02 -1.1072250000e+00  2.2832070000e+00 -6.7878900000e-01 -2.1314970000e+00
-ENERGY -1.526589863379e+02
-FORCES  3.9883000000e-03  4.6482000000e-03 -3.5130000000e-03 -4.0970000000e-04  2.4976000000e-03 -4.7596000000e-03  2.2310000000e-03 -4.5432000000e-03  1.0795000000e-03 -1.1687200000e-02 -1.0547000000e-03  8.3837000000e-03  8.0871000000e-03 -3.2066000000e-03 -4.1678000000e-03 -2.2094000000e-03  1.6587000000e-03  2.9773000000e-03
-
-JOB 558
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5357600000e-01 -9.2426000000e-01 -1.9593400000e-01  5.7276300000e-01  1.8598400000e-01  7.4403200000e-01 -2.1810020000e+00  1.3977110000e+00 -3.3133800000e-01 -2.6662940000e+00  1.2080770000e+00 -1.1343080000e+00 -1.4548080000e+00  7.7413800000e-01 -3.3687900000e-01
-ENERGY -1.526585940290e+02
-FORCES -7.5830000000e-03  5.6899000000e-03  2.0610000000e-03 -5.7430000000e-04  4.8422000000e-03  1.3319000000e-03 -1.5523000000e-03 -3.2183000000e-03 -4.1063000000e-03  1.4327300000e-02 -9.1535000000e-03  1.2892000000e-03  3.0511000000e-03 -1.5088000000e-03  2.1028000000e-03 -7.6688000000e-03  3.3485000000e-03 -2.6787000000e-03
-
-JOB 559
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2946500000e-01 -3.1035400000e-01 -8.9618700000e-01  6.8437500000e-01  6.6524100000e-01 -7.2917000000e-02  8.8376900000e-01 -1.5232140000e+00  2.1792160000e+00  2.5308600000e-01 -1.9297980000e+00  2.7734890000e+00  3.4821300000e-01 -1.1533080000e+00  1.4773760000e+00
-ENERGY -1.526617464266e+02
-FORCES  4.4728000000e-03  6.6210000000e-04 -1.4495000000e-03  9.5980000000e-04  1.9650000000e-03  4.0727000000e-03 -3.8747000000e-03 -3.1883000000e-03 -1.0950000000e-03 -5.4476000000e-03  4.7529000000e-03 -7.2129000000e-03  1.0197000000e-03  1.6735000000e-03 -3.0490000000e-03  2.8701000000e-03 -5.8651000000e-03  8.7337000000e-03
-
-JOB 560
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4800000000e-02 -2.9018300000e-01 -9.0820400000e-01 -9.3098900000e-01  1.9718400000e-01  1.0300400000e-01 -2.8784570000e+00  5.1007200000e-01 -1.3022290000e+00 -2.5523130000e+00  1.4080510000e+00 -1.2431190000e+00 -3.8287110000e+00  5.9421800000e-01 -1.2236840000e+00
-ENERGY -1.526585512978e+02
-FORCES -6.4080000000e-03 -2.5544000000e-03 -4.4370000000e-03  1.4938000000e-03  1.6260000000e-03  3.2843000000e-03  6.1922000000e-03  2.2761000000e-03  1.7375000000e-03 -5.0317000000e-03  3.9475000000e-03 -1.3577000000e-03 -6.5450000000e-04 -5.4936000000e-03  1.2886000000e-03  4.4082000000e-03  1.9830000000e-04 -5.1560000000e-04
-
-JOB 561
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5264500000e-01 -5.1689900000e-01  5.8620000000e-01  5.7222700000e-01  2.2386600000e-01 -7.3394300000e-01 -1.7574650000e+00 -6.6970800000e-01  2.3959680000e+00 -1.7760460000e+00 -1.5169540000e+00  1.9509270000e+00 -8.7107300000e-01 -6.0470400000e-01  2.7513760000e+00
-ENERGY -1.526509242933e+02
-FORCES  4.1328000000e-03 -7.3780000000e-04  8.6700000000e-05 -2.6939000000e-03  1.4275000000e-03 -1.2580000000e-03 -3.2514000000e-03 -9.0400000000e-04  3.5880000000e-03  3.6806000000e-03 -1.3265000000e-03 -3.7364000000e-03  5.6220000000e-04  2.7021000000e-03  3.0266000000e-03 -2.4303000000e-03 -1.1614000000e-03 -1.7069000000e-03
-
-JOB 562
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5980400000e-01 -4.3681900000e-01  8.1112500000e-01 -7.7347000000e-01  5.1052000000e-01  2.3946900000e-01 -1.3250020000e+00 -2.3081650000e+00 -1.1345680000e+00 -1.6693690000e+00 -1.9124630000e+00 -1.9352330000e+00 -7.9109000000e-01 -1.6201730000e+00 -7.3728100000e-01
-ENERGY -1.526604679953e+02
-FORCES -1.9631000000e-03  2.3400000000e-03  4.7688000000e-03 -2.9371000000e-03  6.0270000000e-04 -5.8451000000e-03  3.8485000000e-03 -3.5498000000e-03 -1.7126000000e-03  5.6355000000e-03  1.0807400000e-02  3.7020000000e-04  3.4090000000e-04 -1.0413000000e-03  2.6030000000e-03 -4.9246000000e-03 -9.1590000000e-03 -1.8430000000e-04
-
-JOB 563
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1794200000e-01 -2.2589700000e-01 -4.4291400000e-01  1.9414200000e-01  8.1614600000e-01  4.6092000000e-01 -1.3735340000e+00  1.5612500000e+00 -1.9366490000e+00 -2.2451950000e+00  1.3576300000e+00 -2.2757340000e+00 -1.0270960000e+00  7.1842300000e-01 -1.6436370000e+00
-ENERGY -1.526598385134e+02
-FORCES  3.0015000000e-03  5.9853000000e-03  2.2961000000e-03 -5.4122000000e-03  1.7649000000e-03  2.0500000000e-04  2.9010000000e-04 -5.0320000000e-03 -1.6516000000e-03  1.3313000000e-03 -7.2815000000e-03  5.3768000000e-03  3.2719000000e-03 -3.4100000000e-04  1.8635000000e-03 -2.4825000000e-03  4.9044000000e-03 -8.0898000000e-03
-
-JOB 564
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0706000000e-01 -9.5115000000e-01  9.1770000000e-03  5.8918400000e-01  1.8225900000e-01  7.3203500000e-01  3.0452170000e+00 -4.6769500000e-01  8.0447000000e-02  2.8395730000e+00  3.2780800000e-01 -4.1058800000e-01  3.8000560000e+00 -2.2917700000e-01  6.1855500000e-01
-ENERGY -1.526574972722e+02
-FORCES  5.2222000000e-03 -5.9437000000e-03  3.6059000000e-03 -1.4787000000e-03  3.6638000000e-03 -1.6410000000e-04 -3.8960000000e-03  2.2067000000e-03 -2.6346000000e-03  2.3199000000e-03  3.7980000000e-03 -3.0241000000e-03  2.1389000000e-03 -3.1024000000e-03  4.0600000000e-03 -4.3064000000e-03 -6.2230000000e-04 -1.8432000000e-03
-
-JOB 565
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0600100000e-01  3.4083000000e-02  3.0697200000e-01 -4.0692100000e-01 -6.8626100000e-01  5.2886000000e-01 -8.6594600000e-01  2.3782210000e+00  7.8983500000e-01 -8.0524100000e-01  1.4681660000e+00  4.9941200000e-01 -4.5944400000e-01  2.8826350000e+00  8.5169000000e-02
-ENERGY -1.526583173647e+02
-FORCES  1.8128000000e-03  6.5482000000e-03  5.6941000000e-03 -4.8728000000e-03 -1.0233000000e-03 -1.8659000000e-03  1.6630000000e-03  5.8646000000e-03 -1.8083000000e-03  6.3954000000e-03 -1.6003700000e-02 -9.1581000000e-03 -4.8694000000e-03  5.9220000000e-03  4.9336000000e-03 -1.2910000000e-04 -1.3079000000e-03  2.2046000000e-03
-
-JOB 566
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3324700000e-01 -3.8224000000e-02 -7.1677700000e-01  1.9571600000e-01  9.3185100000e-01  9.7883000000e-02  2.5103890000e+00 -1.4769320000e+00 -1.2233210000e+00  1.7751350000e+00 -1.4424040000e+00 -6.1140400000e-01  2.8582930000e+00 -2.3638400000e+00 -1.1306530000e+00
-ENERGY -1.526599518024e+02
-FORCES -2.0099000000e-03  5.9473000000e-03 -2.9673000000e-03  2.7031000000e-03  1.8000000000e-05  3.4650000000e-03 -1.8825000000e-03 -3.8422000000e-03 -2.9590000000e-04 -3.6399000000e-03 -8.9620000000e-04  4.1127000000e-03  6.7566000000e-03 -4.4765000000e-03 -4.2824000000e-03 -1.9274000000e-03  3.2497000000e-03 -3.2100000000e-05
-
-JOB 567
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1525000000e-01 -1.0983300000e-01  2.5784800000e-01  4.7069900000e-01 -6.7136100000e-01  4.9391100000e-01 -9.2466000000e-01 -1.7633050000e+00  2.0900870000e+00 -5.7380300000e-01 -1.0219720000e+00  2.5836030000e+00 -5.2863600000e-01 -2.5328330000e+00  2.4990160000e+00
-ENERGY -1.526570108798e+02
-FORCES -5.1654000000e-03 -9.5909000000e-03  5.2765000000e-03  2.3849000000e-03  4.2792000000e-03 -1.0824000000e-03  2.7393000000e-03  4.3289000000e-03 -6.9050000000e-04  1.4567000000e-03  3.2620000000e-04  3.3281000000e-03 -8.4490000000e-04 -3.6819000000e-03 -4.4783000000e-03 -5.7060000000e-04  4.3385000000e-03 -2.3533000000e-03
-
-JOB 568
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.7423000000e-02  9.4653600000e-01 -1.0397700000e-01 -3.2926400000e-01 -1.1082300000e-01  8.9192800000e-01  2.5533960000e+00 -1.0433750000e+00  8.1309000000e-02  1.7266560000e+00 -6.2028600000e-01 -1.5048300000e-01  3.2130880000e+00 -5.7995700000e-01 -4.3471600000e-01
-ENERGY -1.526601866840e+02
-FORCES  1.1860000000e-03  5.7750000000e-04  5.6278000000e-03  1.5688000000e-03 -5.5345000000e-03  4.5070000000e-04  1.1260000000e-03  1.7372000000e-03 -4.9394000000e-03 -1.1497100000e-02  4.7209000000e-03 -2.2992000000e-03  1.1390900000e-02 -1.5880000000e-03 -2.0720000000e-04 -3.7746000000e-03  8.6900000000e-05  1.3672000000e-03
-
-JOB 569
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3499900000e-01 -3.7418000000e-01 -6.9999800000e-01 -7.6040000000e-03 -6.6432600000e-01  6.8909000000e-01 -1.4094030000e+00 -7.9076300000e-01 -2.1159660000e+00 -2.2434390000e+00 -1.1963470000e+00 -1.8790770000e+00 -8.6484600000e-01 -1.5189150000e+00 -2.4151050000e+00
-ENERGY -1.526581611310e+02
-FORCES -1.0236400000e-02 -5.0364000000e-03 -1.3039300000e-02  7.0323000000e-03 -7.2090000000e-04  8.9239000000e-03 -1.3844000000e-03  7.0950000000e-04 -3.8439000000e-03  1.5045000000e-03 -7.0620000000e-04  3.1165000000e-03  5.9866000000e-03  1.4891000000e-03 -1.8800000000e-05 -2.9025000000e-03  4.2650000000e-03  4.8616000000e-03
-
-JOB 570
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8651600000e-01 -7.0383600000e-01  2.7721000000e-01 -1.2124200000e-01 -1.4427600000e-01 -9.3846500000e-01  1.3757060000e+00 -2.2226610000e+00  7.9758200000e-01  2.2724100000e+00 -2.4102880000e+00  5.2018400000e-01  8.8858200000e-01 -3.0201850000e+00  5.9046600000e-01
-ENERGY -1.526602468886e+02
-FORCES  7.7873000000e-03 -1.2184200000e-02  2.2906000000e-03 -4.5773000000e-03  8.2648000000e-03 -3.2807000000e-03  5.8400000000e-04 -5.1710000000e-04  2.6610000000e-03 -2.1945000000e-03  1.1450000000e-04 -2.4147000000e-03 -5.3167000000e-03  5.0320000000e-04  5.5570000000e-04  3.7172000000e-03  3.8188000000e-03  1.8810000000e-04
-
-JOB 571
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5376800000e-01 -7.6620700000e-01 -1.5000000000e-01 -6.8813000000e-01 -3.1252400000e-01  5.8739900000e-01  8.5551500000e-01  3.9120670000e+00  1.6394200000e-01  8.1643000000e-02  3.8200750000e+00 -3.9183700000e-01  1.4825520000e+00  4.3937320000e+00 -3.7555200000e-01
-ENERGY -1.526536947498e+02
-FORCES  1.4380000000e-04 -4.2188000000e-03  2.5279000000e-03 -2.3897000000e-03  3.0152000000e-03  4.3920000000e-04  2.5825000000e-03  1.2635000000e-03 -2.6904000000e-03 -8.9980000000e-04  4.0000000000e-06 -4.8365000000e-03  2.9124000000e-03  1.7143000000e-03  2.3186000000e-03 -2.3492000000e-03 -1.7783000000e-03  2.2412000000e-03
-
-JOB 572
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0476600000e-01 -7.1633600000e-01 -1.9326700000e-01  5.6394800000e-01  7.6355700000e-01  1.2318800000e-01  1.0386250000e+00 -2.5378800000e+00 -9.5295000000e-02  1.8927880000e+00 -2.7879530000e+00  2.5698400000e-01  4.0851400000e-01 -2.8727890000e+00  5.4269300000e-01
-ENERGY -1.526606415138e+02
-FORCES  6.5984000000e-03 -9.6285000000e-03 -1.5599000000e-03 -3.6735000000e-03  1.0175200000e-02  1.2168000000e-03 -3.2630000000e-04 -3.8415000000e-03 -3.0910000000e-04 -2.7586000000e-03  2.7490000000e-04  4.9779000000e-03 -4.3386000000e-03  2.0543000000e-03 -1.1501000000e-03  4.4987000000e-03  9.6570000000e-04 -3.1754000000e-03
-
-JOB 573
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3313700000e-01 -1.8816800000e-01 -8.3259600000e-01  4.5004200000e-01 -8.1407900000e-01  2.2576400000e-01 -1.8592020000e+00 -2.9665300000e-01 -2.0395300000e+00 -1.7132680000e+00  7.0080000000e-02 -2.9115640000e+00 -2.1228110000e+00 -1.2025280000e+00 -2.2011850000e+00
-ENERGY -1.526596432792e+02
-FORCES -7.5031000000e-03 -2.6056000000e-03 -8.8576000000e-03  8.6678000000e-03 -1.5400000000e-04  6.5907000000e-03 -2.5194000000e-03  1.8186000000e-03 -1.8285000000e-03 -1.0645000000e-03 -1.0513000000e-03 -1.3690000000e-03 -2.4850000000e-04 -2.6858000000e-03  4.8110000000e-03  2.6677000000e-03  4.6780000000e-03  6.5340000000e-04
-
-JOB 574
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5133400000e-01 -8.9838000000e-02  5.5894000000e-02  1.3668600000e-01  7.4720700000e-01 -5.8243600000e-01 -1.3670480000e+00 -2.6777160000e+00 -1.5286480000e+00 -1.7782150000e+00 -2.1249810000e+00 -8.6407500000e-01 -1.4266940000e+00 -2.1669750000e+00 -2.3360000000e+00
-ENERGY -1.526508187168e+02
-FORCES -2.4066000000e-03  2.5933000000e-03 -2.3335000000e-03  2.7264000000e-03 -1.6335000000e-03 -1.1374000000e-03 -7.2870000000e-04 -3.5051000000e-03  2.3381000000e-03  6.2750000000e-04  5.3932000000e-03  6.1000000000e-06  2.4140000000e-04 -7.1320000000e-04 -1.9856000000e-03 -4.5990000000e-04 -2.1347000000e-03  3.1123000000e-03
-
-JOB 575
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2190200000e-01 -3.7648800000e-01  3.1458800000e-01  5.2332600000e-01 -7.5560800000e-01 -2.6724100000e-01  1.7319510000e+00  7.8164000000e-01  2.0628860000e+00  1.0964400000e+00  5.1550800000e-01  1.3984070000e+00  1.5356850000e+00  1.7040390000e+00  2.2268730000e+00
-ENERGY -1.526612714255e+02
-FORCES -6.5010000000e-04 -3.8357000000e-03  4.6200000000e-05  4.9487000000e-03  1.8495000000e-03 -1.2433000000e-03 -2.7145000000e-03  4.6681000000e-03  3.5649000000e-03 -9.2236000000e-03  1.5600000000e-04 -9.7188000000e-03  7.6684000000e-03 -1.0760000000e-04  7.8066000000e-03 -2.8900000000e-05 -2.7303000000e-03 -4.5550000000e-04
-
-JOB 576
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5073000000e-01 -7.4906600000e-01 -3.8983900000e-01 -4.0045300000e-01  4.5216700000e-01 -7.4257200000e-01  1.1375620000e+00 -2.1738380000e+00 -1.0171460000e+00  6.6191500000e-01 -2.8817700000e+00 -5.8260800000e-01  2.0352300000e+00 -2.2546260000e+00 -6.9481400000e-01
-ENERGY -1.526602038710e+02
-FORCES  7.6150000000e-03 -1.3985600000e-02 -9.7087000000e-03 -4.2390000000e-03  7.5600000000e-03  5.8590000000e-03  1.3812000000e-03 -2.1565000000e-03  1.3987000000e-03 -2.1116000000e-03  3.0957000000e-03  5.0444000000e-03  3.1805000000e-03  4.8040000000e-03 -1.7683000000e-03 -5.8260000000e-03  6.8230000000e-04 -8.2510000000e-04
-
-JOB 577
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2462200000e-01  4.4200500000e-01 -5.7507500000e-01 -4.1496600000e-01 -8.3750100000e-01  2.0646500000e-01 -1.1284860000e+00 -2.3193770000e+00  5.8153800000e-01 -6.6943700000e-01 -3.1468340000e+00  4.3724900000e-01 -1.5966660000e+00 -2.4454100000e+00  1.4068590000e+00
-ENERGY -1.526601201376e+02
-FORCES -8.7143000000e-03 -1.4958600000e-02  2.5760000000e-03  8.6420000000e-04 -2.0247000000e-03  1.8753000000e-03  3.5516000000e-03  7.9095000000e-03 -2.0949000000e-03  4.8995000000e-03  6.0568000000e-03  1.2960000000e-04 -3.2541000000e-03  3.7357000000e-03  2.0223000000e-03  2.6531000000e-03 -7.1870000000e-04 -4.5082000000e-03
-
-JOB 578
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8662500000e-01 -5.6941000000e-02  5.4241200000e-01  5.8479100000e-01  5.8172400000e-01  4.8564300000e-01 -2.7606810000e+00 -4.1675100000e-01 -1.0869910000e+00 -3.0004780000e+00 -1.3241060000e+00 -1.2752340000e+00 -1.8955390000e+00 -3.1017200000e-01 -1.4824690000e+00
-ENERGY -1.526604400236e+02
-FORCES -1.8609000000e-03  1.9636000000e-03  4.7329000000e-03  6.2953000000e-03  5.4820000000e-04 -2.1897000000e-03 -3.0238000000e-03 -2.3702000000e-03 -1.2344000000e-03  4.1108000000e-03 -2.3568000000e-03 -4.2205000000e-03  1.2645000000e-03  3.5203000000e-03  1.0936000000e-03 -6.7859000000e-03 -1.3051000000e-03  1.8180000000e-03
-
-JOB 579
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2279400000e-01  7.9349000000e-01 -1.1529200000e-01 -5.1433400000e-01  1.6421400000e-01  7.9039600000e-01 -2.1949400000e-01 -2.7631700000e+00  8.1685100000e-01 -1.1758110000e+00 -2.7913630000e+00  8.4674500000e-01 -1.7075000000e-02 -1.9276800000e+00  3.9588300000e-01
-ENERGY -1.526599143715e+02
-FORCES  1.7597000000e-03  3.4878000000e-03  2.3557000000e-03 -3.4863000000e-03 -2.6743000000e-03  1.4377000000e-03  2.5063000000e-03 -2.4504000000e-03 -4.5391000000e-03 -4.6170000000e-04  7.3816000000e-03 -5.2493000000e-03  3.0758000000e-03  1.2619000000e-03  7.5080000000e-04 -3.3938000000e-03 -7.0066000000e-03  5.2442000000e-03
-
-JOB 580
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3334200000e-01  5.3741800000e-01 -7.5694400000e-01 -9.5169100000e-01 -8.8111000000e-02 -5.2456000000e-02 -2.7811600000e-01  8.6703300000e-01  2.6685870000e+00  4.2933600000e-01  1.4018520000e+00  3.0287410000e+00  4.7133000000e-02  5.8241900000e-01  1.8145150000e+00
-ENERGY -1.526614358893e+02
-FORCES -3.8248000000e-03  2.6033000000e-03 -2.0358000000e-03 -1.6780000000e-03 -2.6433000000e-03  3.3564000000e-03  5.7301000000e-03  1.1125000000e-03  4.3810000000e-04  4.6663000000e-03 -2.2227000000e-03 -9.4317000000e-03 -1.6929000000e-03 -1.5573000000e-03 -2.2590000000e-03 -3.2007000000e-03  2.7075000000e-03  9.9320000000e-03
-
-JOB 581
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3968300000e-01 -1.6646100000e-01  7.4282000000e-02  4.0195700000e-01 -8.6734700000e-01  4.8697000000e-02 -1.6806300000e+00  2.6386420000e+00  4.1152700000e-01 -2.6185920000e+00  2.8295150000e+00  4.1667100000e-01 -1.4838170000e+00  2.4268860000e+00 -5.0097300000e-01
-ENERGY -1.526548669602e+02
-FORCES -2.5488000000e-03 -3.5232000000e-03  2.4527000000e-03  4.1046000000e-03 -5.7500000000e-04 -2.6355000000e-03 -1.9224000000e-03  3.7367000000e-03  1.7090000000e-04 -6.2150000000e-04  1.3716000000e-03 -4.2754000000e-03  4.0499000000e-03 -1.8833000000e-03  1.6890000000e-04 -3.0618000000e-03  8.7320000000e-04  4.1185000000e-03
-
-JOB 582
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3902800000e-01 -3.3160000000e-03 -4.6070900000e-01 -4.8960000000e-01 -7.2534700000e-01 -3.8780800000e-01 -1.3377190000e+00  2.5709210000e+00  9.0010500000e-01 -1.3511990000e+00  2.5632820000e+00  1.8571800000e+00 -1.1699820000e+00  1.6609150000e+00  6.5518600000e-01
-ENERGY -1.526607223874e+02
-FORCES  3.9873000000e-03 -1.9083000000e-03 -4.1128000000e-03 -3.8433000000e-03 -1.7427000000e-03  1.7471000000e-03  2.0987000000e-03  3.8252000000e-03  1.8496000000e-03  3.6477000000e-03 -7.2637000000e-03  7.3380000000e-04  5.9000000000e-06 -1.0300000000e-05 -3.0634000000e-03 -5.8963000000e-03  7.0998000000e-03  2.8457000000e-03
-
-JOB 583
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9213800000e-01 -8.1628900000e-01  8.7776000000e-02  6.7063600000e-01  6.8219900000e-01 -3.2926000000e-02 -1.8412210000e+00 -2.6051000000e+00  3.1301300000e-01 -2.1882330000e+00 -2.6886670000e+00  1.2011750000e+00 -8.9259400000e-01 -2.5533170000e+00  4.2988000000e-01
-ENERGY -1.526505268764e+02
-FORCES  4.9349000000e-03 -1.5080000000e-04 -7.3880000000e-04 -3.4961000000e-03  9.0790000000e-04  9.1590000000e-04 -3.6191000000e-03 -2.9458000000e-03  1.9680000000e-04  2.0108000000e-03  2.4582000000e-03  4.6040000000e-03  1.2349000000e-03 -2.7840000000e-04 -3.7966000000e-03 -1.0654000000e-03  8.8000000000e-06 -1.1813000000e-03
-
-JOB 584
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5677800000e-01 -2.2246400000e-01  3.6424300000e-01 -1.5026900000e-01  6.7477000000e-02 -9.4292000000e-01 -2.3461240000e+00 -2.7865210000e+00  1.9552410000e+00 -2.6704230000e+00 -2.1762740000e+00  2.6175550000e+00 -3.1110930000e+00 -2.9822530000e+00  1.4141840000e+00
-ENERGY -1.526546811576e+02
-FORCES -4.1909000000e-03 -2.0966000000e-03 -1.8151000000e-03  3.3876000000e-03  2.9232000000e-03 -2.0249000000e-03  5.4100000000e-04 -9.2000000000e-05  3.6458000000e-03 -4.7712000000e-03 -1.1130000000e-04  1.7748000000e-03  1.5379000000e-03 -2.0531000000e-03 -3.5774000000e-03  3.4956000000e-03  1.4298000000e-03  1.9969000000e-03
-
-JOB 585
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3100900000e-01 -8.9696300000e-01 -4.6077000000e-02  9.3630600000e-01 -8.0071000000e-02 -1.8207400000e-01  6.9051600000e-01 -2.0045540000e+00 -2.4216690000e+00  1.0061570000e+00 -1.1487880000e+00 -2.7119560000e+00 -2.6320200000e-01 -1.9364380000e+00 -2.4665420000e+00
-ENERGY -1.526563360421e+02
-FORCES  4.2755000000e-03 -6.9759000000e-03 -1.3101000000e-03 -1.3637000000e-03  4.2235000000e-03  3.0210000000e-04 -3.2401000000e-03  2.5400000000e-03  2.9370000000e-04 -3.5336000000e-03  5.3703000000e-03 -2.8529000000e-03 -9.6400000000e-05 -3.9661000000e-03  1.9237000000e-03  3.9584000000e-03 -1.1917000000e-03  1.6435000000e-03
-
-JOB 586
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4846600000e-01 -3.4108500000e-01  2.8284000000e-01 -3.6551600000e-01 -6.9238500000e-01 -5.5066600000e-01 -5.0813100000e-01 -2.1901860000e+00 -1.4865060000e+00  2.9037800000e-01 -1.8983560000e+00 -1.9263360000e+00 -1.1665270000e+00 -2.2219000000e+00 -2.1805820000e+00
-ENERGY -1.526574283795e+02
-FORCES -3.7204000000e-03 -1.5373300000e-02 -5.6658000000e-03 -1.8633000000e-03  7.7020000000e-04 -2.5488000000e-03  5.3442000000e-03  8.3023000000e-03  3.1230000000e-04  1.3719000000e-03  3.6932000000e-03 -1.3239000000e-03 -5.2713000000e-03  1.4012000000e-03  5.4811000000e-03  4.1389000000e-03  1.2064000000e-03  3.7450000000e-03
-
-JOB 587
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1202500000e-01  1.5803100000e-01  9.3739400000e-01 -9.2222100000e-01 -2.3827700000e-01 -9.4675000000e-02  9.0164100000e-01  3.1091250000e+00 -8.5141300000e-01  1.5616040000e+00  2.6052820000e+00 -3.7515500000e-01  1.2457420000e+00  4.0022210000e+00 -8.6575300000e-01
-ENERGY -1.526539105487e+02
-FORCES -5.1843000000e-03  7.2400000000e-04  2.3810000000e-03  6.7790000000e-04 -4.0370000000e-04 -3.8629000000e-03  3.7547000000e-03  6.4000000000e-05  8.1730000000e-04  4.3624000000e-03 -4.6480000000e-04  1.5041000000e-03 -1.7986000000e-03  3.9945000000e-03 -9.9550000000e-04 -1.8121000000e-03 -3.9140000000e-03  1.5590000000e-04
-
-JOB 588
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8528400000e-01 -3.8671300000e-01 -6.5125100000e-01 -1.3082500000e-01 -6.9332400000e-01  6.4685300000e-01  6.5391500000e-01  1.9259350000e+00  1.7640790000e+00  6.2221400000e-01  1.2689760000e+00  1.0686420000e+00 -2.2707200000e-01  1.9219200000e+00  2.1383500000e+00
-ENERGY -1.526588764114e+02
-FORCES  1.9840000000e-03  2.8880000000e-04  3.2846000000e-03 -2.7121000000e-03  1.9029000000e-03  4.5551000000e-03  1.4382000000e-03  5.2583000000e-03 -2.9293000000e-03 -6.7809000000e-03 -1.0486000000e-02 -1.2183800000e-02  3.6549000000e-03  3.9963000000e-03  7.5065000000e-03  2.4159000000e-03 -9.6020000000e-04 -2.3300000000e-04
-
-JOB 589
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2742200000e-01 -9.1063900000e-01 -1.8774100000e-01  4.2917500000e-01  1.8732700000e-01  8.3483500000e-01  1.2664220000e+00  1.0535070000e+00  2.2355330000e+00  1.0070430000e+00  1.9675350000e+00  2.1193080000e+00  1.0481380000e+00  8.5605900000e-01  3.1463550000e+00
-ENERGY -1.526615710520e+02
-FORCES  7.0144000000e-03  1.8723000000e-03  9.8381000000e-03 -2.5860000000e-04  2.6148000000e-03  1.8679000000e-03 -5.7210000000e-03 -3.1967000000e-03 -8.8288000000e-03 -2.7935000000e-03  2.8112000000e-03  4.1510000000e-04  8.8350000000e-04 -5.4504000000e-03  1.3977000000e-03  8.7520000000e-04  1.3488000000e-03 -4.6900000000e-03
-
-JOB 590
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0985700000e-01  6.1475000000e-02  8.0777400000e-01 -1.8829300000e-01 -9.3373100000e-01 -9.4472000000e-02  1.2184380000e+00 -1.3502900000e-01  2.3491360000e+00  1.5840170000e+00  7.4755500000e-01  2.4093800000e+00  5.1031700000e-01 -1.4594700000e-01  2.9930900000e+00
-ENERGY -1.526579745936e+02
-FORCES  9.8694000000e-03 -5.1260000000e-03  1.7342200000e-02 -3.3148000000e-03  5.6737000000e-03 -7.0876000000e-03 -2.4390000000e-04  2.2848000000e-03  6.2910000000e-04 -5.7369000000e-03  1.8591000000e-03 -3.5317000000e-03 -4.5424000000e-03 -5.1314000000e-03 -3.1789000000e-03  3.9687000000e-03  4.3980000000e-04 -4.1733000000e-03
-
-JOB 591
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4566900000e-01 -6.1296500000e-01 -7.2061500000e-01 -8.5466400000e-01 -2.4513700000e-01  3.5452700000e-01 -2.7187200000e+00 -4.7393900000e-01  1.2620900000e-01 -3.0773500000e+00 -1.3587090000e+00  5.6944000000e-02 -3.2101940000e+00 -7.1134000000e-02  8.4205300000e-01
-ENERGY -1.526587041001e+02
-FORCES -1.4006500000e-02 -4.1356000000e-03 -2.4296000000e-03  2.2900000000e-04  1.1909000000e-03  2.0039000000e-03  8.3926000000e-03  1.4460000000e-03  2.8311000000e-03 -6.2530000000e-04 -3.4720000000e-04  5.1740000000e-04  2.4004000000e-03  4.7100000000e-03  4.4560000000e-04  3.6098000000e-03 -2.8641000000e-03 -3.3683000000e-03
-
-JOB 592
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0303800000e-01  6.3088800000e-01 -1.5475300000e-01  6.5598900000e-01  4.8880000000e-01  4.9697600000e-01  1.7869630000e+00  1.6418370000e+00  1.1669390000e+00  1.2957590000e+00  2.4575970000e+00  1.2643370000e+00  2.3247870000e+00  1.7772330000e+00  3.8678200000e-01
-ENERGY -1.526583204894e+02
-FORCES  9.9304000000e-03  1.1690300000e-02  9.2305000000e-03  2.7047000000e-03 -5.8620000000e-04  7.6210000000e-04 -5.7845000000e-03 -5.0970000000e-03 -7.0298000000e-03 -3.4210000000e-03  6.0920000000e-04 -4.9924000000e-03  1.5130000000e-03 -5.2677000000e-03 -2.0091000000e-03 -4.9427000000e-03 -1.3487000000e-03  4.0387000000e-03
-
-JOB 593
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0481100000e-01 -5.5744200000e-01  6.6454400000e-01 -1.0179800000e-01 -4.8807500000e-01 -8.1710000000e-01  1.4829500000e-01 -1.3708770000e+00 -2.2612980000e+00  3.3088300000e-01 -1.4347030000e+00 -3.1987520000e+00  9.7140000000e-01 -1.6169510000e+00 -1.8391870000e+00
-ENERGY -1.526575565874e+02
-FORCES -3.8733000000e-03 -5.5739000000e-03 -1.1672500000e-02  1.8710000000e-03  3.9490000000e-04 -3.2944000000e-03  6.6275000000e-03 -2.4345000000e-03  7.4123000000e-03  1.1960000000e-03  5.6032000000e-03  3.1339000000e-03  1.1972000000e-03 -1.3128000000e-03  4.8984000000e-03 -7.0183000000e-03  3.3231000000e-03 -4.7770000000e-04
-
-JOB 594
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0625100000e-01  1.0526200000e-01  9.4544300000e-01 -3.1952500000e-01  8.5034700000e-01 -3.0173700000e-01 -2.5657230000e+00  1.4638900000e-01 -3.6159910000e+00 -2.1874210000e+00 -4.3227500000e-01 -2.9539740000e+00 -3.5093770000e+00 -1.0320000000e-03 -3.5526040000e+00
-ENERGY -1.526556261440e+02
-FORCES -9.8500000000e-05  4.3693000000e-03  3.0520000000e-03 -4.8400000000e-04 -3.5850000000e-04 -3.8766000000e-03  1.0485000000e-03 -4.1227000000e-03  1.4383000000e-03 -2.0579000000e-03 -3.7400000000e-03  2.8130000000e-03 -2.1543000000e-03  3.1090000000e-03 -3.1880000000e-03  3.7461000000e-03  7.4300000000e-04 -2.3860000000e-04
-
-JOB 595
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7195300000e-01  8.8185700000e-01  1.4560000000e-02  6.4134000000e-01 -5.2305700000e-01 -4.8096300000e-01  8.7696700000e-01 -2.5223030000e+00 -8.6348400000e-01 -7.9091000000e-02 -2.5451510000e+00 -8.2270000000e-01  1.0809610000e+00 -2.6563240000e+00 -1.7890410000e+00
-ENERGY -1.526600734405e+02
-FORCES  5.9358000000e-03 -5.0923000000e-03 -1.9216000000e-03  1.2580000000e-04 -4.0234000000e-03 -1.0509000000e-03 -5.5853000000e-03  8.3235000000e-03  9.4440000000e-04 -5.6691000000e-03 -2.6789000000e-03 -1.0816000000e-03  6.2096000000e-03  8.7620000000e-04 -1.4359000000e-03 -1.0168000000e-03  2.5949000000e-03  4.5456000000e-03
-
-JOB 596
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4142400000e-01  2.0526500000e-01 -4.0755800000e-01 -6.3573500000e-01  7.3608000000e-02 -7.1179700000e-01 -7.8176800000e-01  3.3843070000e+00  5.8722600000e-01 -1.2919200000e+00  3.8669460000e+00 -6.3186000000e-02 -6.4140000000e-01  4.0120170000e+00  1.2961050000e+00
-ENERGY -1.526528040384e+02
-FORCES  3.1770000000e-04  3.9829000000e-03 -3.9434000000e-03 -2.9062000000e-03 -1.7783000000e-03  1.3322000000e-03  2.3957000000e-03 -1.3372000000e-03  2.1652000000e-03 -1.5819000000e-03  4.3607000000e-03  1.3324000000e-03  2.2522000000e-03 -2.6454000000e-03  2.2784000000e-03 -4.7750000000e-04 -2.5826000000e-03 -3.1647000000e-03
-
-JOB 597
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7559000000e-02 -2.6273200000e-01  9.1626300000e-01 -9.0046100000e-01  1.1299300000e-01 -3.0435800000e-01 -7.3328700000e-01 -1.3508360000e+00  2.2724180000e+00 -1.9755700000e-01 -2.1439570000e+00  2.2859870000e+00 -3.1398500000e-01 -7.6715800000e-01  2.9046670000e+00
-ENERGY -1.526574867047e+02
-FORCES -8.6562000000e-03 -8.2822000000e-03  1.1367100000e-02  6.0859000000e-03  6.7777000000e-03 -1.9687000000e-03  2.7072000000e-03  3.2490000000e-04 -3.9200000000e-05  3.1111000000e-03 -2.5306000000e-03 -1.6970000000e-03 -2.4668000000e-03  5.0261000000e-03  4.7780000000e-04 -7.8130000000e-04 -1.3158000000e-03 -8.1400000000e-03
-
-JOB 598
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3060000000e-03  9.7439000000e-02 -9.5222500000e-01 -9.0109900000e-01  1.8780700000e-01  2.6264100000e-01 -1.9340080000e+00  1.8017780000e+00  9.5511000000e-01 -2.7777850000e+00  1.8220820000e+00  5.0360200000e-01 -1.4545640000e+00  2.5510390000e+00  6.0159200000e-01
-ENERGY -1.526578504594e+02
-FORCES -9.1476000000e-03  6.0528000000e-03  1.9220000000e-03 -4.7590000000e-04  8.3480000000e-04  3.3265000000e-03  4.6797000000e-03 -6.4564000000e-03 -4.5839000000e-03  3.4135000000e-03  4.6512000000e-03 -2.4631000000e-03  5.5675000000e-03 -1.9785000000e-03  7.2030000000e-04 -4.0372000000e-03 -3.1040000000e-03  1.0782000000e-03
-
-JOB 599
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3838700000e-01 -9.4242100000e-01  9.4466000000e-02 -3.5188700000e-01  2.0868100000e-01 -8.6536700000e-01 -6.0011900000e-01  1.4085140000e+00 -2.2249430000e+00 -9.1613500000e-01  9.1187200000e-01 -2.9797360000e+00  3.4643200000e-01  1.4664360000e+00 -2.3550130000e+00
-ENERGY -1.526584527236e+02
-FORCES -5.5986000000e-03  5.9468000000e-03 -1.0222200000e-02 -4.6650000000e-04  3.5897000000e-03 -2.8738000000e-03  5.7993000000e-03 -7.7637000000e-03  6.0506000000e-03  4.2252000000e-03  5.2900000000e-04 -2.7590000000e-04  2.3004000000e-03  4.7600000000e-04  5.9768000000e-03 -6.2599000000e-03 -2.7778000000e-03  1.3445000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2819900000e-01  1.0330700000e-01 -2.0977800000e-01 -4.5010900000e-01  1.2359400000e-01 -8.3567800000e-01 -1.9105010000e+00  5.2168300000e-01 -1.9574890000e+00 -2.0027430000e+00  1.4705620000e+00 -1.8717480000e+00 -2.7156650000e+00  1.6723200000e-01 -1.5802540000e+00
-ENERGY -1.526614349287e+02
-FORCES -5.9877000000e-03  1.0945000000e-03 -9.6057000000e-03 -3.7620000000e-03  5.4250000000e-04 -8.9810000000e-04  8.2435000000e-03 -6.5620000000e-04  7.9203000000e-03 -3.2894000000e-03  1.5079000000e-03  4.9320000000e-03  1.0172000000e-03 -5.0972000000e-03 -1.2760000000e-04  3.7785000000e-03  2.6086000000e-03 -2.2209000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5939800000e-01 -6.1428600000e-01 -6.8672900000e-01 -6.3326200000e-01 -1.4461000000e-01  7.0306400000e-01 -4.2867900000e-01 -2.0286010000e+00 -1.7632350000e+00 -1.3464270000e+00 -2.2811840000e+00 -1.8640930000e+00 -8.8816000000e-02 -1.9969220000e+00 -2.6575060000e+00
-ENERGY -1.526595739129e+02
-FORCES -2.9335000000e-03 -1.2149800000e-02 -8.1063000000e-03 -5.1750000000e-04  8.2217000000e-03  6.0220000000e-03  9.9420000000e-04 -4.1060000000e-04 -2.8448000000e-03  3.5810000000e-04  2.3765000000e-03 -6.4030000000e-04  4.9413000000e-03  2.4518000000e-03  9.9670000000e-04 -2.8427000000e-03 -4.8960000000e-04  4.5727000000e-03
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4472400000e-01  7.4402300000e-01 -5.5024700000e-01  4.4600000000e-01  1.5968400000e-01  8.3175500000e-01  1.9917800000e-01  1.8200650000e+00 -2.0420710000e+00  1.1310410000e+00  1.7202370000e+00 -2.2367420000e+00 -2.4229800000e-01  1.5995590000e+00 -2.8622590000e+00
-ENERGY -1.526590481387e+02
-FORCES -4.6250000000e-04  9.1478000000e-03 -7.5592000000e-03  4.8310000000e-03 -6.1652000000e-03  7.7854000000e-03 -4.5140000000e-04  1.1809000000e-03 -4.1753000000e-03 -2.1516000000e-03 -5.2082000000e-03 -2.7308000000e-03 -5.2730000000e-03 -1.1525000000e-03  3.8118000000e-03  3.5076000000e-03  2.1972000000e-03  2.8681000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8665700000e-01  7.2824200000e-01  5.9249900000e-01  9.5360800000e-01 -8.1785000000e-02  1.3235000000e-02  5.2304300000e-01  3.1616770000e+00 -1.1281650000e+00  5.2999500000e-01  2.6039000000e+00 -1.9060260000e+00  1.1524340000e+00  2.7528460000e+00 -5.3406400000e-01
-ENERGY -1.526542068290e+02
-FORCES  1.3756000000e-03  2.7740000000e-03  3.2545000000e-03  2.2928000000e-03 -3.7999000000e-03 -2.1373000000e-03 -3.7698000000e-03  1.8207000000e-03 -8.7940000000e-04  1.8024000000e-03 -5.7719000000e-03 -2.1860000000e-03  8.7410000000e-04  3.6899000000e-03  2.6961000000e-03 -2.5751000000e-03  1.2873000000e-03 -7.4790000000e-04
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2428700000e-01  3.9240100000e-01 -4.8750600000e-01 -7.5894700000e-01  1.0192400000e-01 -5.7432000000e-01  1.8122500000e-01  2.2040790000e+00  1.6586760000e+00 -3.7934600000e-01  2.2601280000e+00  2.4325310000e+00 -1.8785000000e-02  1.3485040000e+00  1.2789130000e+00
-ENERGY -1.526612975180e+02
-FORCES  9.6360000000e-04  4.0803000000e-03 -4.1792000000e-03 -4.9176000000e-03 -1.5469000000e-03  3.4477000000e-03  3.9101000000e-03  7.2200000000e-05  3.3571000000e-03 -2.3832000000e-03 -1.1043000000e-02 -4.5305000000e-03  8.2630000000e-04 -1.6037000000e-03 -3.2283000000e-03  1.6008000000e-03  1.0041000000e-02  5.1332000000e-03
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9598400000e-01  8.6601100000e-01 -3.5755700000e-01 -7.8441400000e-01  1.3208800000e-01  5.3242700000e-01  1.9094180000e+00 -4.5176500000e-01  1.7825220000e+00  2.7803210000e+00 -4.6738700000e-01  1.3856400000e+00  1.3073340000e+00 -5.3950200000e-01  1.0435840000e+00
-ENERGY -1.526591745598e+02
-FORCES  4.5338000000e-03  4.1440000000e-03  8.0420000000e-03 -1.3676000000e-03 -4.3395000000e-03  1.5581000000e-03  4.2258000000e-03 -1.4790000000e-04 -3.1021000000e-03 -1.0952500000e-02  1.4971000000e-03 -1.2699300000e-02 -3.6660000000e-03  1.0345000000e-03 -6.2350000000e-04  7.2265000000e-03 -2.1882000000e-03  6.8247000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7056000000e-02  9.4268900000e-01 -1.4138600000e-01 -6.4359700000e-01 -2.0122600000e-01  6.7935500000e-01 -1.3295800000e-01  2.7734280000e+00 -3.0558600000e-01 -8.2119100000e-01  3.0624300000e+00  2.9361800000e-01 -2.3627400000e-01  3.3311610000e+00 -1.0766190000e+00
-ENERGY -1.526599765307e+02
-FORCES -1.2964000000e-03  1.1965300000e-02 -7.5230000000e-04 -1.3561000000e-03 -9.8884000000e-03  3.1790000000e-03  1.5374000000e-03  2.0961000000e-03 -1.8937000000e-03 -1.7928000000e-03  4.5820000000e-04 -1.8651000000e-03  3.0971000000e-03 -2.9906000000e-03 -3.4557000000e-03 -1.8920000000e-04 -1.6407000000e-03  4.7877000000e-03
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4750300000e-01  4.0931300000e-01 -1.7445000000e-01  4.7283200000e-01  6.4144000000e-02 -8.2978700000e-01 -1.1781400000e-01 -2.7114280000e+00 -1.0457400000e-01  1.5227000000e-02 -1.7775170000e+00  5.7726000000e-02  3.7055500000e-01 -2.8872020000e+00 -9.0883300000e-01
-ENERGY -1.526581882574e+02
-FORCES -4.1636000000e-03 -3.1639000000e-03 -3.8744000000e-03  5.1481000000e-03 -1.4759000000e-03  6.5400000000e-05 -2.9428000000e-03 -3.6523000000e-03  4.4763000000e-03  1.4909000000e-03  1.5583800000e-02  5.8380000000e-04  1.7684000000e-03 -9.8488000000e-03 -3.2215000000e-03 -1.3010000000e-03  2.5570000000e-03  1.9703000000e-03
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7400900000e-01  2.5328000000e-01  2.9696600000e-01 -9.3459000000e-02 -9.1378600000e-01 -2.6924500000e-01  1.8282980000e+00  3.0284700000e-01  1.9577630000e+00  1.9127530000e+00  1.2528840000e+00  2.0385700000e+00  1.1896840000e+00  1.7752500000e-01  1.2558380000e+00
-ENERGY -1.526603554983e+02
-FORCES  8.1750000000e-04 -1.6961000000e-03  4.6478000000e-03  4.9241000000e-03 -1.6793000000e-03 -1.4765000000e-03 -7.4400000000e-05  5.1652000000e-03  2.3370000000e-03 -1.0607000000e-02  5.1420000000e-04 -1.3086900000e-02 -1.4371000000e-03 -2.4200000000e-03 -5.0420000000e-04  6.3770000000e-03  1.1610000000e-04  8.0827000000e-03
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3395200000e-01 -7.1981600000e-01 -5.8597200000e-01 -4.3563900000e-01 -2.1143100000e-01  8.2568000000e-01 -5.2794400000e-01 -1.8501750000e+00 -2.1985910000e+00 -1.4720640000e+00 -1.8011550000e+00 -2.0486970000e+00 -2.7056400000e-01 -2.6966130000e+00 -1.8331730000e+00
-ENERGY -1.526585017524e+02
-FORCES -1.5172000000e-03 -6.2439000000e-03 -5.8488000000e-03 -1.3430000000e-03  4.6068000000e-03  1.0074600000e-02  8.2520000000e-04 -6.5600000000e-04 -4.0367000000e-03 -2.6438000000e-03 -4.4308000000e-03 -2.5811000000e-03  6.4599000000e-03  7.2990000000e-04  2.3351000000e-03 -1.7811000000e-03  5.9940000000e-03  5.6900000000e-05
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3920900000e-01 -7.0964000000e-02 -1.7053400000e-01 -3.9612700000e-01 -6.7169500000e-01 -5.5510400000e-01  2.5600340000e+00  3.8200500000e-01 -3.0014400000e-01  2.8503830000e+00  1.0604950000e+00 -9.0971900000e-01  3.0356970000e+00  5.6734600000e-01  5.0956200000e-01
-ENERGY -1.526591747625e+02
-FORCES  1.7224200000e-02  1.7855000000e-03 -2.4527000000e-03 -8.8152000000e-03 -3.1795000000e-03  1.1270000000e-03  3.5554000000e-03  2.0967000000e-03  5.4440000000e-04 -1.0434800000e-02  2.4717000000e-03  1.8398000000e-03  1.7590000000e-04 -3.1868000000e-03  3.8202000000e-03 -1.7056000000e-03  1.2400000000e-05 -4.8787000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1327000000e-02 -6.0943800000e-01 -7.3244600000e-01 -6.1359400000e-01 -3.2372700000e-01  6.5949600000e-01 -4.0899800000e-01 -1.5877830000e+00 -2.1257000000e+00 -1.3300210000e+00 -1.3478220000e+00 -2.0238730000e+00 -1.1787700000e-01 -1.1006100000e+00 -2.8965060000e+00
-ENERGY -1.526578824146e+02
-FORCES -8.1650000000e-04 -1.2620400000e-02 -1.1703800000e-02 -4.0205000000e-03  7.9920000000e-03  6.7866000000e-03  5.7020000000e-04  1.3470000000e-04 -3.8607000000e-03 -8.0820000000e-04  6.1220000000e-03  4.2960000000e-04  7.1840000000e-03  5.6710000000e-04  3.2836000000e-03 -2.1090000000e-03 -2.1955000000e-03  5.0648000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6791200000e-01  3.0001200000e-01 -7.0971800000e-01 -1.8281100000e-01  5.9957600000e-01  7.2340900000e-01 -1.8720440000e+00  6.6904800000e-01 -1.7382620000e+00 -2.6811590000e+00  3.3266000000e-01 -1.3530250000e+00 -1.7289430000e+00  1.2269300000e-01 -2.5110820000e+00
-ENERGY -1.526587727694e+02
-FORCES -1.3928900000e-02  7.9782000000e-03 -1.1803400000e-02  7.4205000000e-03 -4.4230000000e-03  4.5156000000e-03 -8.2060000000e-04 -1.7176000000e-03 -2.0820000000e-03  2.9001000000e-03 -5.9042000000e-03  6.0122000000e-03  4.4296000000e-03  1.7887000000e-03 -2.4729000000e-03 -7.0000000000e-07  2.2778000000e-03  5.8305000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0151800000e-01 -9.2951400000e-01  1.0782600000e-01 -9.1800000000e-02  3.6894100000e-01  8.7845700000e-01 -3.7374340000e+00 -2.8101900000e-01 -4.5228100000e-01 -3.4871150000e+00 -1.0467050000e+00  6.4727000000e-02 -2.9775210000e+00 -1.0776100000e-01 -1.0079300000e+00
-ENERGY -1.526553337817e+02
-FORCES  5.0350000000e-04 -1.5078000000e-03  5.3217000000e-03 -5.9290000000e-04  4.0490000000e-03 -1.0588000000e-03  6.0390000000e-04 -2.0355000000e-03 -3.9033000000e-03  5.0929000000e-03 -1.4839000000e-03 -7.4780000000e-04 -7.2500000000e-04  2.7033000000e-03 -1.6197000000e-03 -4.8824000000e-03 -1.7251000000e-03  2.0079000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5314700000e-01  9.3038300000e-01 -1.6481900000e-01 -3.7713100000e-01 -4.4357600000e-01 -7.5976600000e-01 -3.3275200000e-01  2.7504230000e+00 -2.8319700000e-01  4.7089500000e-01  2.9992100000e+00  1.7340700000e-01 -1.0105230000e+00  2.7768890000e+00  3.9219800000e-01
-ENERGY -1.526608465585e+02
-FORCES -2.1744000000e-03  1.2397100000e-02 -5.3877000000e-03  5.8150000000e-04 -1.0036600000e-02  5.0691000000e-03  6.3920000000e-04  2.1382000000e-03  2.1637000000e-03  1.2968000000e-03  1.3092000000e-03  4.3840000000e-03 -5.0253000000e-03 -2.9766000000e-03 -2.1789000000e-03  4.6822000000e-03 -2.8313000000e-03 -4.0501000000e-03
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7704400000e-01 -5.8875900000e-01 -7.3365500000e-01 -8.5405800000e-01  1.3557700000e-01  4.1041000000e-01  3.1206600000e-01 -1.7911230000e+00 -1.9570820000e+00  1.9725500000e-01 -2.6696950000e+00 -1.5949200000e+00 -2.8015200000e-01 -1.7620230000e+00 -2.7085230000e+00
-ENERGY -1.526585705723e+02
-FORCES  1.0891000000e-03 -9.3862000000e-03 -1.0964400000e-02 -4.5376000000e-03  6.7340000000e-03  7.7069000000e-03  2.2144000000e-03 -2.4090000000e-03 -3.1670000000e-03  6.4800000000e-05 -8.2060000000e-04  2.7143000000e-03 -7.7560000000e-04  5.3140000000e-03 -2.2373000000e-03  1.9449000000e-03  5.6780000000e-04  5.9474000000e-03
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0024400000e-01 -1.5320000000e-02 -7.4545600000e-01 -5.5603700000e-01  2.0507900000e-01  7.5166300000e-01 -1.9404210000e+00  3.0532400000e-01 -1.9123210000e+00 -1.8695910000e+00  1.2576030000e+00 -1.9785000000e+00 -2.8110300000e+00  1.5443400000e-01 -1.5442130000e+00
-ENERGY -1.526593529535e+02
-FORCES -1.2807500000e-02  5.4170000000e-04 -9.2369000000e-03  7.5684000000e-03  1.1455000000e-03  6.5829000000e-03  9.2380000000e-04 -1.5930000000e-04 -2.3153000000e-03 -4.6020000000e-04  2.5043000000e-03  3.9221000000e-03 -2.2990000000e-04 -5.7985000000e-03  1.9924000000e-03  5.0054000000e-03  1.7663000000e-03 -9.4510000000e-04
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0648000000e-02  8.1264800000e-01 -5.0568900000e-01  2.9792500000e-01 -6.6500400000e-01 -6.2067900000e-01  6.0450100000e-01 -1.7001610000e+00 -2.1827490000e+00  3.0627600000e-01 -1.4274750000e+00 -3.0504680000e+00  3.4995900000e-01 -2.6207480000e+00 -2.1198310000e+00
-ENERGY -1.526605134311e+02
-FORCES  3.2205000000e-03 -5.0274000000e-03 -1.1356500000e-02 -3.3680000000e-04 -1.9533000000e-03  1.2278000000e-03 -1.7177000000e-03  4.0653000000e-03  8.3998000000e-03 -3.6190000000e-03  5.2200000000e-05 -1.4203000000e-03  1.4748000000e-03 -2.0202000000e-03  3.8448000000e-03  9.7820000000e-04  4.8835000000e-03 -6.9560000000e-04
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0694000000e-02  9.5482500000e-01 -2.9283000000e-02 -6.1866500000e-01 -1.7954600000e-01  7.0798900000e-01  4.1868700000e-01 -2.1002490000e+00 -1.4438690000e+00  1.9074600000e-01 -1.2230430000e+00 -1.1359970000e+00 -1.6716600000e-01 -2.2542340000e+00 -2.1850150000e+00
-ENERGY -1.526584022212e+02
-FORCES  5.4690000000e-04 -8.2827000000e-03 -4.0943000000e-03 -1.3626000000e-03 -4.9459000000e-03  1.1904000000e-03  2.8571000000e-03  2.9833000000e-03 -3.7000000000e-03 -2.6917000000e-03  1.4662700000e-02  8.1617000000e-03 -1.4250000000e-04 -7.0004000000e-03 -4.6344000000e-03  7.9280000000e-04  2.5830000000e-03  3.0766000000e-03
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5744700000e-01  2.7318900000e-01 -6.3981500000e-01 -2.1011900000e-01  5.0027100000e-01  7.8855000000e-01  2.4998700000e+00 -2.9238400000e-01 -5.5030500000e-01  1.5587320000e+00 -1.6136300000e-01 -6.6573700000e-01  2.8666190000e+00 -1.8437900000e-01 -1.4278370000e+00
-ENERGY -1.526569017973e+02
-FORCES  1.0124400000e-02  1.8889000000e-03  1.9322000000e-03  5.3649000000e-03 -8.3770000000e-04  2.5297000000e-03 -1.5014000000e-03 -2.4082000000e-03 -4.7105000000e-03 -1.6859200000e-02  1.8337000000e-03  4.0429000000e-03  7.4958000000e-03 -7.7580000000e-04 -5.9018000000e-03 -4.6245000000e-03  2.9900000000e-04  2.1076000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2142600000e-01 -2.0178200000e-01  4.4808000000e-01  6.7913400000e-01 -1.8708700000e-01  6.4808000000e-01  4.9546800000e-01 -2.1027080000e+00 -1.3189170000e+00  2.8990100000e-01 -1.3418940000e+00 -7.7565100000e-01  1.4507140000e+00 -2.1028850000e+00 -1.3800530000e+00
-ENERGY -1.526525602547e+02
-FORCES  1.8368000000e-03 -1.2988300000e-02 -5.3060000000e-03  6.2953000000e-03 -1.1537000000e-03 -3.7488000000e-03 -3.6659000000e-03 -3.2591000000e-03 -7.3861000000e-03 -4.8422000000e-03  2.4715700000e-02  1.1686900000e-02  2.9728000000e-03 -9.2183000000e-03  2.2750000000e-03 -2.5969000000e-03  1.9037000000e-03  2.4790000000e-03
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7693100000e-01 -2.1676500000e-01  3.1660300000e-01  4.3630700000e-01  3.9625200000e-01  7.5422300000e-01 -1.1218220000e+00 -1.9090040000e+00  3.6563660000e+00 -1.3772400000e+00 -1.0578100000e+00  3.3007510000e+00 -1.6599400000e-01 -1.8757740000e+00  3.6953550000e+00
-ENERGY -1.526530659325e+02
-FORCES -1.8865000000e-03  5.4590000000e-04  3.3704000000e-03  3.9214000000e-03  1.4977000000e-03 -5.5210000000e-04 -2.1486000000e-03 -2.0260000000e-03 -2.5272000000e-03  3.1526000000e-03  2.9112000000e-03 -5.8410000000e-04  1.2169000000e-03 -3.2633000000e-03  4.5390000000e-04 -4.2558000000e-03  3.3460000000e-04 -1.6100000000e-04
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4841900000e-01 -6.2989100000e-01 -6.7657700000e-01  4.5970500000e-01 -2.9736400000e-01  7.8516100000e-01 -2.1287260000e+00 -5.1862100000e-01  1.8515790000e+00 -3.0637600000e+00 -5.2656700000e-01  1.6469310000e+00 -1.7103060000e+00 -2.0429700000e-01  1.0501070000e+00
-ENERGY -1.526614222825e+02
-FORCES  4.0582000000e-03 -4.6666000000e-03  1.2131000000e-03 -8.9070000000e-04  2.7981000000e-03  3.3483000000e-03 -3.5563000000e-03  1.5384000000e-03 -4.7401000000e-03  2.6105000000e-03  2.6515000000e-03 -7.5406000000e-03  3.4973000000e-03  1.0070000000e-04 -6.6240000000e-04 -5.7190000000e-03 -2.4222000000e-03  8.3818000000e-03
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2664000000e-02 -5.0879600000e-01  8.0835100000e-01 -7.4260300000e-01 -2.9465800000e-01 -5.2721000000e-01 -1.7751940000e+00 -5.7085400000e-01 -1.9639670000e+00 -2.7311670000e+00 -5.3339000000e-01 -1.9332620000e+00 -1.5384410000e+00 -3.8679000000e-02 -2.7235530000e+00
-ENERGY -1.526607743333e+02
-FORCES -9.2287000000e-03 -4.4097000000e-03 -8.6163000000e-03 -1.6258000000e-03  9.3610000000e-04 -3.1558000000e-03  6.3547000000e-03  1.9621000000e-03  8.1661000000e-03  2.5775000000e-03  4.2633000000e-03  5.5910000000e-04  4.8870000000e-03  1.3230000000e-04 -3.7400000000e-04 -2.9648000000e-03 -2.8841000000e-03  3.4209000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3288000000e-02 -5.5176800000e-01 -7.8205400000e-01 -3.9000800000e-01  8.2702000000e-01 -2.8313200000e-01  2.6736220000e+00 -2.4472900000e-01  2.1664300000e-01  1.7325460000e+00 -8.4767000000e-02  2.8749500000e-01  2.9764800000e+00  3.8900000000e-01 -4.3366200000e-01
-ENERGY -1.526591793149e+02
-FORCES  4.0432000000e-03  8.8900000000e-05 -3.2799000000e-03  1.3564000000e-03  4.5265000000e-03  4.2813000000e-03  2.8518000000e-03 -4.6137000000e-03  2.5280000000e-04 -1.5899800000e-02  4.6649000000e-03 -1.0047000000e-03  9.5815000000e-03 -2.9055000000e-03 -1.4977000000e-03 -1.9330000000e-03 -1.7611000000e-03  1.2483000000e-03
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8372500000e-01  9.0338200000e-01  2.5763800000e-01  1.4672700000e-01 -5.1111100000e-01  7.9590700000e-01 -2.0498400000e-01 -3.6568900000e+00  2.7405200000e-01 -7.1711000000e-02 -4.6012550000e+00  3.5556600000e-01  4.9093700000e-01 -3.3663110000e+00 -3.1543000000e-01
-ENERGY -1.526559148570e+02
-FORCES  2.2780000000e-04  1.3327000000e-03  4.9390000000e-03 -7.6300000000e-04 -3.6704000000e-03 -9.8440000000e-04  6.9900000000e-04  3.4393000000e-03 -3.8695000000e-03  2.8533000000e-03 -3.1612000000e-03 -3.2936000000e-03 -5.0540000000e-04  3.8912000000e-03 -4.4890000000e-04 -2.5117000000e-03 -1.8317000000e-03  3.6574000000e-03
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5480300000e-01  5.3940000000e-02 -4.0920000000e-02 -2.1792100000e-01 -7.8384100000e-01 -5.0431700000e-01 -4.6460800000e-01 -2.0976090000e+00 -1.8032940000e+00 -1.2532270000e+00 -1.7820730000e+00 -2.2445980000e+00 -5.4593800000e-01 -3.0512140000e+00 -1.8192540000e+00
-ENERGY -1.526611953124e+02
-FORCES  1.9266000000e-03 -9.8738000000e-03 -7.3556000000e-03 -2.5042000000e-03 -7.1700000000e-05  4.8250000000e-04 -1.2340000000e-03  8.3123000000e-03  4.4074000000e-03 -2.0504000000e-03 -1.0538000000e-03  1.2320000000e-04  4.1202000000e-03 -2.0305000000e-03  3.5628000000e-03 -2.5830000000e-04  4.7174000000e-03 -1.2204000000e-03
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8286400000e-01  8.3704100000e-01  4.2679600000e-01 -6.8336600000e-01 -8.4716000000e-02 -6.6488100000e-01 -1.0575340000e+00  1.1398770000e+00  2.8477790000e+00 -1.2818250000e+00  3.3772200000e-01  3.3194480000e+00 -1.8271910000e+00  1.3250370000e+00  2.3096570000e+00
-ENERGY -1.526553468777e+02
-FORCES -2.2014000000e-03  3.9172000000e-03  1.7275000000e-03 -5.2030000000e-04 -2.9253000000e-03 -5.6342000000e-03  1.9718000000e-03  4.7530000000e-04  3.4980000000e-03 -3.8831000000e-03 -5.4086000000e-03  1.1620000000e-03  8.1100000000e-05  4.2179000000e-03 -1.0935000000e-03  4.5519000000e-03 -2.7650000000e-04  3.4020000000e-04
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7853400000e-01 -7.6240300000e-01 -3.2554400000e-01 -4.4434600000e-01  2.3201000000e-01  8.1545100000e-01 -1.9414940000e+00  8.5170800000e-01  1.5971380000e+00 -1.8953960000e+00  1.7763290000e+00  1.8404140000e+00 -2.1681800000e+00  4.0059800000e-01  2.4103700000e+00
-ENERGY -1.526575669545e+02
-FORCES -1.5410800000e-02  3.6886000000e-03  9.1994000000e-03  1.6628000000e-03  1.3473000000e-03  9.9330000000e-04  7.7528000000e-03 -2.6301000000e-03 -1.8702000000e-03  3.0611000000e-03  1.4071000000e-03 -2.8494000000e-03  1.3280000000e-04 -5.7227000000e-03 -3.2960000000e-04  2.8012000000e-03  1.9098000000e-03 -5.1435000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1287600000e-01  5.6783800000e-01 -6.5063400000e-01  4.8259400000e-01  1.7119700000e-01  8.0871900000e-01 -2.5225740000e+00  4.3257800000e-01  3.0505500000e-01 -1.5743890000e+00  3.0861600000e-01  2.6250700000e-01 -2.8861560000e+00 -3.5949600000e-01 -9.0747000000e-02
-ENERGY -1.526580247984e+02
-FORCES -1.0552900000e-02  4.3393000000e-03  5.9550000000e-04 -1.7936000000e-03 -2.9863000000e-03  4.6230000000e-03 -3.8660000000e-03  2.9770000000e-04 -5.0436000000e-03  2.2099500000e-02 -6.1041000000e-03 -3.8341000000e-03 -7.5400000000e-03  2.6686000000e-03  3.1017000000e-03  1.6530000000e-03  1.7847000000e-03  5.5750000000e-04
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2862600000e-01  8.1220900000e-01 -4.5197100000e-01 -9.5578100000e-01  1.4123000000e-02  5.0157000000e-02 -1.4172820000e+00  1.3625200000e+00  3.0689890000e+00 -1.0269240000e+00  1.8765510000e+00  2.3621480000e+00 -8.3446300000e-01  1.4999200000e+00  3.8157650000e+00
-ENERGY -1.526545000671e+02
-FORCES -3.6589000000e-03  1.4733000000e-03 -1.7977000000e-03 -1.0757000000e-03 -2.7186000000e-03  2.9985000000e-03  4.6055000000e-03  8.3960000000e-04 -1.1436000000e-03  5.6548000000e-03  1.5963000000e-03  2.6600000000e-04 -2.8995000000e-03 -1.0923000000e-03  2.4400000000e-03 -2.6262000000e-03 -9.8300000000e-05 -2.7632000000e-03
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1018300000e-01  9.2439400000e-01 -1.3248200000e-01 -2.9813600000e-01 -4.3108200000e-01 -8.0094600000e-01  1.2014180000e+00  9.9812500000e-01 -3.5895830000e+00  3.9398900000e-01  8.9890000000e-01 -3.0851570000e+00  1.4001760000e+00  1.1493800000e-01 -3.9005640000e+00
-ENERGY -1.526524290726e+02
-FORCES -1.5433000000e-03  2.1999000000e-03 -2.6353000000e-03  4.5990000000e-04 -4.4382000000e-03 -1.9500000000e-04  1.3643000000e-03  2.5350000000e-03  2.1768000000e-03 -1.4620000000e-03 -4.2414000000e-03  6.8170000000e-04  2.4806000000e-03  1.4560000000e-04 -1.3309000000e-03 -1.2995000000e-03  3.7991000000e-03  1.3028000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1884800000e-01 -8.4670500000e-01 -3.1250500000e-01 -1.0906000000e-01  5.2330200000e-01 -7.9403600000e-01  2.5279800000e-01  3.8606230000e+00  4.6375000000e-02  1.1501760000e+00  3.5642560000e+00  1.9839700000e-01 -2.1731700000e-01  3.6220780000e+00  8.4532400000e-01
-ENERGY -1.526564882430e+02
-FORCES  2.1990000000e-04 -1.2823000000e-03 -5.0150000000e-03 -1.1529000000e-03  3.5622000000e-03  1.1840000000e-03  8.3000000000e-04 -3.4075000000e-03  3.4976000000e-03  1.8543000000e-03 -2.3240000000e-03  5.1286000000e-03 -3.5230000000e-03  1.6529000000e-03 -1.2787000000e-03  1.7718000000e-03  1.7988000000e-03 -3.5165000000e-03
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0659500000e-01  7.5954500000e-01 -4.9530100000e-01  7.6291600000e-01 -2.8092200000e-01  5.0524600000e-01  2.2254230000e+00 -4.9825600000e-01  1.5646100000e+00  2.1681080000e+00 -1.4512170000e+00  1.4952360000e+00  2.9101180000e+00 -2.5307700000e-01  9.4226600000e-01
-ENERGY -1.526578973284e+02
-FORCES  1.2593100000e-02  1.0718000000e-03  9.0325000000e-03  1.1230000000e-04 -2.5122000000e-03  1.3055000000e-03 -6.3145000000e-03 -3.0036000000e-03 -8.0505000000e-03  1.8755000000e-03 -1.5644000000e-03 -2.2359000000e-03 -2.2764000000e-03  7.0062000000e-03 -2.0317000000e-03 -5.9899000000e-03 -9.9780000000e-04  1.9801000000e-03
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2011400000e-01  6.3592300000e-01 -6.3981400000e-01 -4.3532900000e-01  2.4203000000e-01  8.1739900000e-01  1.2814640000e+00 -3.2990090000e+00  1.0476430000e+00  1.3813800000e+00 -2.6590150000e+00  1.7523820000e+00  3.3983200000e-01 -3.3235420000e+00  8.7746500000e-01
-ENERGY -1.526540322086e+02
-FORCES -2.7491000000e-03  4.6267000000e-03 -4.1190000000e-04  1.2613000000e-03 -2.7441000000e-03  2.8672000000e-03  2.0610000000e-03 -2.0334000000e-03 -3.0242000000e-03 -3.7042000000e-03  4.7359000000e-03  4.8510000000e-04 -3.5380000000e-04 -3.2578000000e-03 -1.5502000000e-03  3.4847000000e-03 -1.3273000000e-03  1.6339000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3786000000e-02  9.3975600000e-01  1.7874500000e-01  7.1976800000e-01 -1.5392500000e-01 -6.1194200000e-01 -1.8185870000e+00 -6.0162400000e-01 -2.2517400000e+00 -1.6902720000e+00 -1.5486440000e+00 -2.1976920000e+00 -1.3818370000e+00 -2.5546500000e-01 -1.4735010000e+00
-ENERGY -1.526606355729e+02
-FORCES  5.3010000000e-03  2.9660000000e-03  1.3700000000e-05 -7.3000000000e-04 -4.9844000000e-03 -2.0965000000e-03 -5.3406000000e-03  6.5600000000e-04  2.4575000000e-03  4.5826000000e-03 -1.3162000000e-03  9.6376000000e-03  1.9400000000e-04  2.8979000000e-03 -9.4020000000e-04 -4.0070000000e-03 -2.1940000000e-04 -9.0721000000e-03
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4839700000e-01  6.4261100000e-01 -6.9373000000e-01 -9.2670900000e-01  9.4366000000e-02  2.2031100000e-01 -2.7871610000e+00 -2.7118500000e-01  3.7119700000e-01 -3.4011100000e+00 -1.0398900000e-01  1.0862790000e+00 -3.1043900000e+00 -1.0784570000e+00 -3.3660000000e-02
-ENERGY -1.526616964328e+02
-FORCES -1.0488200000e-02  1.3653000000e-03  3.0710000000e-04 -1.0923000000e-03 -2.0063000000e-03  1.9784000000e-03  9.7518000000e-03  1.3957000000e-03 -1.5766000000e-03 -3.3500000000e-04 -3.3703000000e-03  4.4910000000e-04  2.2434000000e-03 -1.6082000000e-03 -3.7871000000e-03 -7.9700000000e-05  4.2238000000e-03  2.6291000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5754400000e-01  6.4344000000e-01 -6.9093900000e-01 -5.9462000000e-02 -8.4670700000e-01 -4.4247400000e-01  4.6726400000e-01 -3.1309640000e+00  1.2411360000e+00  7.0654800000e-01 -2.3783880000e+00  1.7820660000e+00  1.1690860000e+00 -3.1936740000e+00  5.9325800000e-01
-ENERGY -1.526569999613e+02
-FORCES -2.3567000000e-03 -1.0301000000e-03 -4.4941000000e-03  6.4090000000e-04 -3.0534000000e-03  2.5728000000e-03  1.9457000000e-03  5.1282000000e-03  7.8270000000e-04  4.5504000000e-03  2.8879000000e-03  2.1285000000e-03 -8.2490000000e-04 -4.7236000000e-03 -2.4687000000e-03 -3.9554000000e-03  7.9100000000e-04  1.4788000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7917200000e-01  9.1540500000e-01 -1.8142000000e-02 -7.1043900000e-01 -4.6960000000e-02 -6.3976800000e-01  4.5029200000e-01  2.9178400000e+00 -2.6029000000e-01 -7.9422000000e-02  3.0835930000e+00 -1.0401370000e+00 -1.1020000000e-02  3.3727640000e+00  4.4431400000e-01
-ENERGY -1.526603865615e+02
-FORCES  5.7630000000e-04  9.8880000000e-03 -2.5706000000e-03 -2.6626000000e-03 -1.0093600000e-02  7.1750000000e-04  1.9804000000e-03  6.1800000000e-04  1.7284000000e-03 -3.7632000000e-03  4.4961000000e-03 -1.6710000000e-04  1.9451000000e-03 -2.2647000000e-03  4.4082000000e-03  1.9239000000e-03 -2.6437000000e-03 -4.1165000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1588800000e-01  9.3471000000e-02 -4.9175400000e-01 -1.0681700000e-01  5.7930600000e-01  7.5447100000e-01  3.4040700000e-01  2.0425630000e+00  1.8630640000e+00  1.2925550000e+00  2.0075680000e+00  1.9548390000e+00  1.8398300000e-01  2.7692460000e+00  1.2599930000e+00
-ENERGY -1.526605161582e+02
-FORCES -1.3524000000e-03  8.2504000000e-03  8.9022000000e-03  2.6219000000e-03  1.4802000000e-03  2.1920000000e-03 -1.3124000000e-03 -6.9719000000e-03 -8.3740000000e-03  5.0415000000e-03  1.1716000000e-03 -4.6720000000e-03 -5.1806000000e-03  6.0860000000e-04 -5.9410000000e-04  1.8210000000e-04 -4.5389000000e-03  2.5460000000e-03
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6567100000e-01 -8.5240000000e-02 -3.9947500000e-01  6.6160000000e-02  7.7907500000e-01  5.5217500000e-01 -8.1351800000e-01 -2.0539290000e+00  1.7646040000e+00 -3.9929300000e-01 -1.4726220000e+00  1.1268480000e+00 -3.1333800000e-01 -1.9219330000e+00  2.5699790000e+00
-ENERGY -1.526601814745e+02
-FORCES  1.3926000000e-03  3.5146000000e-03  8.1850000000e-04 -4.4641000000e-03 -1.0870000000e-04  3.5736000000e-03  8.0280000000e-04 -4.7920000000e-03 -2.4944000000e-03  4.6821000000e-03  8.7593000000e-03 -6.3866000000e-03 -1.2442000000e-03 -8.0783000000e-03  7.3902000000e-03 -1.1691000000e-03  7.0510000000e-04 -2.9012000000e-03
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0568100000e-01  9.0030100000e-01  3.0744200000e-01  2.3057700000e-01 -5.4029700000e-01  7.5574100000e-01  3.5183500000e-01  2.6276340000e+00  2.5770600000e-01 -4.0244000000e-01  2.9602480000e+00 -2.2878000000e-01  1.1007360000e+00  2.8011110000e+00 -3.1263200000e-01
-ENERGY -1.526606161097e+02
-FORCES  2.3935000000e-03  1.5547700000e-02  3.7798000000e-03 -2.2630000000e-03 -1.0835200000e-02 -1.5905000000e-03  4.6300000000e-05  3.6344000000e-03 -1.5069000000e-03 -2.5650000000e-04 -5.2243000000e-03 -5.7795000000e-03  4.5438000000e-03 -2.5237000000e-03  2.2827000000e-03 -4.4641000000e-03 -5.9880000000e-04  2.8144000000e-03
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3512200000e-01  1.6976500000e-01 -1.1383500000e-01  3.6876000000e-02 -7.6519200000e-01  5.7389300000e-01 -1.5039650000e+00 -1.6526810000e+00 -3.0247460000e+00 -1.5290420000e+00 -7.0200900000e-01 -2.9160050000e+00 -8.5370000000e-01 -1.7985700000e+00 -3.7118440000e+00
-ENERGY -1.526547556328e+02
-FORCES -3.8273000000e-03 -4.1567000000e-03  2.0438000000e-03  3.7529000000e-03  2.8380000000e-04 -3.9110000000e-04  1.7500000000e-04  3.6407000000e-03 -1.6227000000e-03  4.2360000000e-03  3.5716000000e-03 -2.2200000000e-03 -1.3461000000e-03 -3.6698000000e-03 -1.6240000000e-04 -2.9905000000e-03  3.3030000000e-04  2.3523000000e-03
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2174600000e-01 -8.4421000000e-01 -3.1625900000e-01 -6.9930900000e-01 -2.2438700000e-01  6.1388000000e-01  1.9105060000e+00 -6.3552000000e-02  2.2342240000e+00  1.6800220000e+00  7.9884200000e-01  2.5797460000e+00  1.4494600000e+00 -1.1775400000e-01  1.3971270000e+00
-ENERGY -1.526594061720e+02
-FORCES -4.6091000000e-03 -4.1636000000e-03 -3.9600000000e-05  4.9030000000e-04  5.3404000000e-03  4.4953000000e-03  4.9860000000e-03  1.4520000000e-03 -2.5963000000e-03 -6.4663000000e-03  5.3926000000e-03 -7.9428000000e-03  5.0640000000e-04 -3.0152000000e-03 -1.0700000000e-04  5.0928000000e-03 -5.0062000000e-03  6.1904000000e-03
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0969100000e-01 -8.5403100000e-01 -3.0158500000e-01 -2.5015800000e-01  4.6101700000e-01 -8.0069700000e-01  1.3394820000e+00 -9.9759500000e-01 -3.2160240000e+00  1.4829890000e+00 -1.8276080000e+00 -3.6706840000e+00  1.4719260000e+00 -3.2951400000e-01 -3.8886000000e+00
-ENERGY -1.526570382717e+02
-FORCES  1.5908000000e-03 -2.3665000000e-03 -6.7790000000e-03 -2.0303000000e-03  2.5489000000e-03  3.6289000000e-03 -1.8080000000e-04 -1.5940000000e-04  3.9963000000e-03  2.1412000000e-03 -6.8990000000e-04 -5.6652000000e-03 -6.0830000000e-04  3.5815000000e-03  2.0309000000e-03 -9.1260000000e-04 -2.9146000000e-03  2.7881000000e-03
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8975100000e-01  2.7510000000e-01  2.2112100000e-01 -3.1498000000e-02 -9.5637500000e-01  2.4229000000e-02 -2.7124370000e+00  1.8430100000e-01 -4.2832000000e-02 -2.7367490000e+00 -6.2486700000e-01 -5.5360300000e-01 -2.9429500000e+00  8.7046800000e-01 -6.6914700000e-01
-ENERGY -1.526580734120e+02
-FORCES -1.6254900000e-02 -7.6080000000e-04  2.1411000000e-03  9.0884000000e-03 -4.5000000000e-06 -1.1411000000e-03 -7.8700000000e-04  2.3345000000e-03 -1.1810000000e-03  4.6301000000e-03 -1.5825000000e-03 -6.3036000000e-03  1.3575000000e-03  3.8027000000e-03  3.1724000000e-03  1.9659000000e-03 -3.7895000000e-03  3.3121000000e-03
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8575900000e-01 -3.4016800000e-01 -6.7631600000e-01  1.7988600000e-01 -5.4209800000e-01  7.6811600000e-01 -1.8470400000e+00 -3.1255810000e+00 -1.5074480000e+00 -1.6574980000e+00 -2.4264420000e+00 -2.1331560000e+00 -2.8018040000e+00 -3.1938030000e+00 -1.5057680000e+00
-ENERGY -1.526548930743e+02
-FORCES  2.8763000000e-03 -4.8300000000e-03  1.1195000000e-03 -2.5844000000e-03  1.7863000000e-03  2.0075000000e-03 -1.9750000000e-04  3.0154000000e-03 -2.7565000000e-03 -3.7258000000e-03  3.6097000000e-03 -2.0899000000e-03 -1.6840000000e-04 -3.5399000000e-03  1.8592000000e-03  3.7998000000e-03 -4.1500000000e-05 -1.3980000000e-04
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9819800000e-01 -7.4278700000e-01  5.7027800000e-01  6.8168700000e-01 -2.4405000000e-02 -6.7152000000e-01  5.2180800000e-01 -1.9284700000e+00  1.8119420000e+00  7.0809400000e-01 -2.8609500000e+00  1.7023580000e+00 -1.8557700000e-01 -1.8991430000e+00  2.4561300000e+00
-ENERGY -1.526603530817e+02
-FORCES  5.5011000000e-03 -1.1397800000e-02  8.7720000000e-03 -3.3676000000e-03  7.3940000000e-03 -5.4278000000e-03 -1.5505000000e-03 -1.1197000000e-03  2.1212000000e-03 -3.1080000000e-03  1.6241000000e-03 -2.8274000000e-03 -1.2970000000e-03  4.5710000000e-03  1.4363000000e-03  3.8220000000e-03 -1.0715000000e-03 -4.0743000000e-03
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0337900000e-01  2.5934100000e-01  7.7174100000e-01  8.9407100000e-01 -1.1177300000e-01  3.2307200000e-01 -4.9873200000e-01 -2.1236270000e+00 -1.4919080000e+00 -3.8685700000e-01 -3.0187950000e+00 -1.1719240000e+00 -2.2425800000e-01 -1.5711010000e+00 -7.6005400000e-01
-ENERGY -1.526573574208e+02
-FORCES -1.8162000000e-03 -1.9917000000e-03 -7.8310000000e-04  3.6420000000e-03 -1.7787000000e-03 -3.7488000000e-03 -6.3530000000e-03 -2.8018000000e-03 -2.0675000000e-03  1.6518000000e-03  1.1926800000e-02  8.9369000000e-03  5.0810000000e-04  4.6160000000e-03  1.2812000000e-03  2.3674000000e-03 -9.9706000000e-03 -3.6188000000e-03
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5285000000e-01 -2.4359500000e-01 -3.5991600000e-01 -6.1063800000e-01 -1.2038900000e-01 -7.2722800000e-01  1.0926980000e+00 -3.7866270000e+00 -1.1961820000e+00  1.4204900000e+00 -4.3478310000e+00 -1.8989160000e+00  1.6400150000e+00 -4.0029160000e+00 -4.4126800000e-01
-ENERGY -1.526553810398e+02
-FORCES  9.0620000000e-04 -3.1613000000e-03 -5.0588000000e-03 -2.9111000000e-03  2.2275000000e-03  2.0198000000e-03  2.0194000000e-03  1.5344000000e-03  2.9127000000e-03  3.3019000000e-03 -4.1873000000e-03  7.5990000000e-04 -1.3759000000e-03  2.5339000000e-03  2.9000000000e-03 -1.9403000000e-03  1.0527000000e-03 -3.5336000000e-03
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0405700000e-01 -9.0328300000e-01 -8.8664000000e-02  3.1727400000e-01  4.3860000000e-01 -7.8943000000e-01 -1.2226680000e+00  2.6991590000e+00  1.5125470000e+00 -1.1051080000e+00  1.8176210000e+00  1.8665300000e+00 -6.0277200000e-01  2.7502570000e+00  7.8498300000e-01
-ENERGY -1.526569133534e+02
-FORCES  2.4890000000e-03 -3.3204000000e-03 -4.5542000000e-03 -1.3444000000e-03  3.9888000000e-03  1.9060000000e-04 -1.2064000000e-03 -1.0297000000e-03  4.0335000000e-03  3.7326000000e-03 -6.6349000000e-03 -2.4887000000e-03 -1.6487000000e-03  5.1329000000e-03  1.2500000000e-03 -2.0221000000e-03  1.8634000000e-03  1.5689000000e-03
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4683300000e-01  9.4151600000e-01 -9.0664000000e-02  3.9917900000e-01 -3.8153000000e-01 -7.8187200000e-01  2.9484300000e-01  2.8718720000e+00  6.6214000000e-02  3.8173700000e-01  3.4108870000e+00  8.5243500000e-01  9.4741600000e-01  3.2236750000e+00 -5.3927400000e-01
-ENERGY -1.526608049298e+02
-FORCES  1.4187000000e-03  9.2542000000e-03 -1.3298000000e-03  1.0670000000e-04 -1.0552600000e-02 -2.2546000000e-03 -7.6410000000e-04  2.4228000000e-03  2.1717000000e-03  1.9425000000e-03  2.5922000000e-03  3.0431000000e-03  2.6110000000e-04 -1.1369000000e-03 -4.6831000000e-03 -2.9649000000e-03 -2.5797000000e-03  3.0526000000e-03
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1795500000e-01 -5.5921200000e-01 -7.4566000000e-01  7.2734200000e-01 -1.1990700000e-01  6.1059600000e-01  3.2288180000e+00  7.6415600000e-01 -1.4678990000e+00  3.1396060000e+00 -3.6668000000e-02 -9.5122300000e-01  3.4202950000e+00  1.4454840000e+00 -8.2341400000e-01
-ENERGY -1.526528108892e+02
-FORCES  3.8930000000e-03 -1.8832000000e-03 -2.0528000000e-03 -9.1850000000e-04  1.3276000000e-03  4.0788000000e-03 -2.0772000000e-03  2.8000000000e-04 -2.4331000000e-03  2.3440000000e-04  9.1180000000e-04  4.7237000000e-03 -8.0690000000e-04  2.7084000000e-03 -1.7803000000e-03 -3.2470000000e-04 -3.3445000000e-03 -2.5363000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2979000000e-02 -9.3774400000e-01  1.7760000000e-01  9.3251800000e-01  1.4149300000e-01 -1.6316100000e-01 -9.1806400000e-01  1.4166760000e+00  2.0436160000e+00 -1.8722830000e+00  1.3476540000e+00  2.0741770000e+00 -6.7230400000e-01  9.8496200000e-01  1.2254130000e+00
-ENERGY -1.526598316829e+02
-FORCES  3.2560000000e-04  1.8106000000e-03  8.3271000000e-03  9.0390000000e-04  4.8248000000e-03 -1.3774000000e-03 -4.9060000000e-03 -1.8420000000e-03  1.0990000000e-03  4.4496000000e-03 -8.8126000000e-03 -1.4402600000e-02  2.9511000000e-03 -1.4595000000e-03 -1.2774000000e-03 -3.7243000000e-03  5.4788000000e-03  7.6313000000e-03
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6333000000e-02 -9.3406400000e-01  1.9838400000e-01 -8.1330700000e-01  8.2412000000e-02 -4.9796800000e-01 -2.0516240000e+00  5.9648800000e-01 -1.4579110000e+00 -2.9430850000e+00  5.3814600000e-01 -1.1142170000e+00 -1.9931180000e+00  1.4786500000e+00 -1.8247890000e+00
-ENERGY -1.526585684071e+02
-FORCES -1.5470600000e-02  3.5009000000e-03 -1.1636900000e-02 -2.7721000000e-03  2.5563000000e-03 -1.4664000000e-03  6.6091000000e-03 -3.2457000000e-03  5.6864000000e-03  9.1097000000e-03  1.0775000000e-03  7.1747000000e-03  4.9382000000e-03  7.2850000000e-04 -1.7956000000e-03 -2.4143000000e-03 -4.6176000000e-03  2.0377000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5659900000e-01 -9.2654100000e-01 -1.8229200000e-01  5.8498900000e-01  2.0319900000e-01  7.2988400000e-01  3.6719200000e-01  1.6146700000e+00 -2.0152220000e+00 -1.5961000000e-01  1.3948330000e+00 -2.7835860000e+00  1.2861500000e-01  9.5500800000e-01 -1.3639470000e+00
-ENERGY -1.526587320734e+02
-FORCES  5.4741000000e-03  6.2333000000e-03 -6.0802000000e-03 -4.7120000000e-04  5.4168000000e-03  4.3490000000e-04 -3.0725000000e-03 -2.9161000000e-03 -3.5627000000e-03 -3.9726000000e-03 -1.1472300000e-02  1.4520200000e-02  1.0374000000e-03 -1.8046000000e-03  3.6052000000e-03  1.0048000000e-03  4.5428000000e-03 -8.9174000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1555500000e-01 -1.6693100000e-01  2.2388700000e-01 -4.9183900000e-01 -2.9215100000e-01  7.6744600000e-01  2.9074140000e+00 -2.7278200000e-01  1.5526400000e-01  3.2359250000e+00 -1.0085040000e+00 -3.6148100000e-01  3.4163430000e+00 -3.0232800000e-01  9.6541800000e-01
-ENERGY -1.526611547812e+02
-FORCES  8.2565000000e-03 -1.1989000000e-03  2.7528000000e-03 -1.1089600000e-02 -1.5790000000e-04  2.7400000000e-05  2.5766000000e-03  7.5850000000e-04 -2.0303000000e-03  4.3607000000e-03 -2.3370000000e-03 -2.4650000000e-04 -1.3205000000e-03  3.5114000000e-03  3.4687000000e-03 -2.7836000000e-03 -5.7590000000e-04 -3.9721000000e-03
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3459300000e-01  6.9353700000e-01  6.4585100000e-01 -8.4739100000e-01  2.0243100000e-01 -3.9646300000e-01 -2.0333280000e+00  7.9296000000e-01 -1.4860380000e+00 -1.7500040000e+00  1.6307370000e+00 -1.8522180000e+00 -1.9592230000e+00  1.7561200000e-01 -2.2137890000e+00
-ENERGY -1.526586502586e+02
-FORCES -1.5869100000e-02  7.1557000000e-03 -8.1851000000e-03 -1.1276000000e-03 -7.9710000000e-04 -2.8712000000e-03  7.8748000000e-03 -4.6533000000e-03  3.9721000000e-03  1.0079700000e-02 -7.6230000000e-04  4.7690000000e-04 -1.6110000000e-03 -4.4816000000e-03  1.7723000000e-03  6.5330000000e-04  3.5386000000e-03  4.8350000000e-03
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4732000000e-02 -5.4490200000e-01  7.8506000000e-01  2.0100500000e-01  8.7596900000e-01  3.2940500000e-01 -3.4033300000e-01 -2.1378030000e+00  1.7270520000e+00  2.2250700000e-01 -2.3606340000e+00  2.4685300000e+00 -1.3422100000e-01 -2.7957330000e+00  1.0630660000e+00
-ENERGY -1.526611595402e+02
-FORCES -1.8468000000e-03 -6.6796000000e-03  9.0574000000e-03  2.5594000000e-03  8.0784000000e-03 -7.3170000000e-03 -4.4190000000e-04 -3.6019000000e-03  6.4210000000e-04  2.5508000000e-03 -2.7931000000e-03 -2.7037000000e-03 -2.3750000000e-03  1.4162000000e-03 -4.1327000000e-03 -4.4650000000e-04  3.5799000000e-03  4.4539000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2697800000e-01 -1.2536000000e-01  2.0304600000e-01  3.2371000000e-02  8.3399000000e-01 -4.6866200000e-01 -2.6121100000e+00 -1.8015800000e-01 -2.3717600000e-01 -2.7290730000e+00 -9.1451900000e-01 -8.3989200000e-01 -3.0241870000e+00 -4.6977000000e-01  5.7679500000e-01
-ENERGY -1.526574155624e+02
-FORCES -2.0583300000e-02  2.3108000000e-03 -3.3235000000e-03  6.7849000000e-03 -2.3813000000e-03  4.8000000000e-03  7.8260000000e-04 -2.0874000000e-03  7.7470000000e-04  6.9509000000e-03 -2.7141000000e-03 -2.4316000000e-03  1.4710000000e-04  3.8541000000e-03  4.2931000000e-03  5.9178000000e-03  1.0177000000e-03 -4.1128000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6467400000e-01 -8.0287300000e-01  4.4897000000e-01 -9.5633000000e-01 -6.6290000000e-03  4.0264000000e-02  2.0675630000e+00  4.6545100000e-01 -1.9892580000e+00  1.2825950000e+00  3.3730300000e-01 -1.4566840000e+00  2.0339020000e+00 -2.3653500000e-01 -2.6391150000e+00
-ENERGY -1.526612445938e+02
-FORCES -2.3267000000e-03 -2.2587000000e-03  2.4969000000e-03 -2.1401000000e-03  3.6609000000e-03 -2.9665000000e-03  4.6261000000e-03 -9.8530000000e-04  4.6910000000e-04 -7.8867000000e-03 -2.4378000000e-03  4.1774000000e-03  7.9922000000e-03  2.7360000000e-04 -6.7391000000e-03 -2.6490000000e-04  1.7472000000e-03  2.5622000000e-03
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4628500000e-01  8.4484200000e-01  3.7658600000e-01  3.4107000000e-02 -5.9561900000e-01  7.4853700000e-01 -1.8333830000e+00 -8.2330200000e-01 -2.0328080000e+00 -1.6982280000e+00 -2.3540400000e-01 -2.7760050000e+00 -1.3262410000e+00 -4.3168100000e-01 -1.3217020000e+00
-ENERGY -1.526610045483e+02
-FORCES  3.0450000000e-04 -1.1562000000e-03  4.3517000000e-03  1.1580000000e-04 -4.8386000000e-03 -2.8991000000e-03 -3.5390000000e-04  4.0007000000e-03 -3.3656000000e-03  8.7444000000e-03  4.4019000000e-03  5.8286000000e-03 -2.8750000000e-04 -1.0925000000e-03  2.7952000000e-03 -8.5232000000e-03 -1.3154000000e-03 -6.7108000000e-03
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5164100000e-01 -3.6798900000e-01 -6.9029600000e-01  8.9123800000e-01 -2.4492500000e-01 -2.4887600000e-01 -2.1238110000e+00  3.0522090000e+00 -1.5804950000e+00 -2.6798800000e+00  2.9019740000e+00 -8.1600300000e-01 -2.2598700000e+00  3.9742090000e+00 -1.7987540000e+00
-ENERGY -1.526543431329e+02
-FORCES  1.3568000000e-03 -1.4491000000e-03 -4.8652000000e-03  2.1684000000e-03  5.8930000000e-04  3.4129000000e-03 -3.4248000000e-03  6.8300000000e-04  1.2040000000e-03 -2.2594000000e-03  3.1900000000e-03  3.1406000000e-03  1.5908000000e-03  7.1050000000e-04 -3.6915000000e-03  5.6820000000e-04 -3.7236000000e-03  7.9930000000e-04
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2030200000e-01  9.2559600000e-01  2.1220600000e-01  9.4092000000e-02 -4.5257700000e-01  8.3818400000e-01 -1.2196800000e-01  2.7728640000e+00 -1.8766000000e-02  1.0216200000e-01  3.4311000000e+00  6.3905100000e-01  4.8446200000e-01  2.9387110000e+00 -7.4054900000e-01
-ENERGY -1.526601923659e+02
-FORCES -1.3713000000e-03  1.1038100000e-02  2.8745000000e-03  3.3038000000e-03 -1.0359600000e-02 -1.0471000000e-03 -2.4240000000e-04  2.8527000000e-03 -1.9987000000e-03  1.5965000000e-03  1.8021000000e-03 -1.5900000000e-03 -6.1490000000e-04 -3.7004000000e-03 -3.4525000000e-03 -2.6717000000e-03 -1.6329000000e-03  5.2139000000e-03
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7224500000e-01 -5.3858600000e-01 -6.3493400000e-01 -5.2529200000e-01 -5.4073000000e-02  7.9835900000e-01  2.9163920000e+00  1.7462000000e-02  5.2394000000e-02  1.9741380000e+00  1.0577000000e-01  1.9589100000e-01  3.1393400000e+00  7.4290400000e-01 -5.3092400000e-01
-ENERGY -1.526615201994e+02
-FORCES -2.7590000000e-03 -3.5681000000e-03 -1.0240000000e-03  6.6550000000e-04  2.8962000000e-03  3.6404000000e-03  2.5431000000e-03 -1.4120000000e-04 -4.0964000000e-03 -9.5375000000e-03  2.3732000000e-03 -1.8381000000e-03  9.7654000000e-03  7.4210000000e-04  1.8098000000e-03 -6.7760000000e-04 -2.3022000000e-03  1.5083000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4274500000e-01 -6.2835000000e-02 -1.5334600000e-01 -3.6101200000e-01 -7.9288400000e-01 -3.9653100000e-01 -1.0699020000e+00 -3.4248630000e+00  1.1154150000e+00 -1.0851160000e+00 -4.3524220000e+00  1.3512830000e+00 -1.7316210000e+00 -3.3409280000e+00  4.2889100000e-01
-ENERGY -1.526541556254e+02
-FORCES  2.7783000000e-03 -5.1537000000e-03 -7.4330000000e-04 -3.5704000000e-03  8.8960000000e-04  2.2110000000e-04  3.7650000000e-04  4.0967000000e-03 -9.8500000000e-05 -3.4457000000e-03 -4.3594000000e-03 -4.2130000000e-04  4.5000000000e-05  4.0166000000e-03 -9.8680000000e-04  3.8162000000e-03  5.1020000000e-04  2.0288000000e-03
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1843100000e-01 -2.3196200000e-01 -1.3751400000e-01  3.2457100000e-01  2.2249700000e-01 -8.7257100000e-01 -2.6302290000e+00 -3.5476900000e-01 -3.1961500000e-01 -2.9081150000e+00 -1.2496350000e+00 -1.2409700000e-01 -3.2036210000e+00 -7.6000000000e-02 -1.0335770000e+00
-ENERGY -1.526589354135e+02
-FORCES -1.6011100000e-02 -7.9130000000e-04 -4.5623000000e-03  8.4894000000e-03 -2.2642000000e-03  2.4474000000e-03 -1.7038000000e-03 -4.4780000000e-04  1.9445000000e-03  4.8305000000e-03  1.1565000000e-03 -1.6182000000e-03  2.3217000000e-03  5.0998000000e-03 -1.9101000000e-03  2.0732000000e-03 -2.7529000000e-03  3.6987000000e-03
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5790700000e-01  3.1112300000e-01 -6.2176500000e-01  4.0877400000e-01 -7.5423000000e-01  4.2458500000e-01 -2.7156420000e+00 -2.5104800000e-01  1.3687000000e-01 -1.7679890000e+00 -3.6993900000e-01  7.3232000000e-02 -3.0728850000e+00 -1.1374360000e+00  8.2777000000e-02
-ENERGY -1.526588510088e+02
-FORCES -7.8580000000e-04  9.9180000000e-04 -2.4074000000e-03 -1.5022000000e-03 -2.3551000000e-03  4.1978000000e-03 -4.0645000000e-03  3.1089000000e-03 -3.2070000000e-03  1.1540000000e-02  7.0360000000e-04 -2.0068000000e-03 -8.4400000000e-03 -4.7624000000e-03  3.1109000000e-03  3.2526000000e-03  2.3132000000e-03  3.1250000000e-04
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1922200000e-01  7.7714200000e-01 -5.1402700000e-01  6.5040600000e-01 -1.4649000000e-02  7.0213200000e-01  3.7989050000e+00 -1.5110400000e-01 -2.1441000000e-01  3.4930320000e+00 -8.2737100000e-01 -8.1884100000e-01  3.2107060000e+00 -2.1769000000e-01  5.3780000000e-01
-ENERGY -1.526539593986e+02
-FORCES  2.7340000000e-03  4.5583000000e-03  4.9230000000e-04 -1.3821000000e-03 -3.7495000000e-03  2.3335000000e-03 -1.0452000000e-03 -1.0756000000e-03 -2.8946000000e-03 -3.0938000000e-03 -4.4110000000e-03 -8.0000000000e-06  1.8662000000e-03  3.2721000000e-03  2.6994000000e-03  9.2100000000e-04  1.4057000000e-03 -2.6227000000e-03
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9739100000e-01 -1.0187100000e-01  3.1708700000e-01  5.0258200000e-01  2.4548800000e-01  7.7677500000e-01 -2.5149540000e+00 -1.5018000000e-01  3.4945100000e-01 -2.9545390000e+00 -3.8493000000e-02  1.1923760000e+00 -2.7856010000e+00  6.1031100000e-01 -1.6497800000e-01
-ENERGY -1.526567453711e+02
-FORCES -2.2064700000e-02 -2.5522000000e-03  4.6444000000e-03  9.0383000000e-03  2.9239000000e-03 -1.2633000000e-03 -4.2837000000e-03 -7.2540000000e-04 -8.3440000000e-04  1.2164300000e-02  3.8791000000e-03 -2.4530000000e-03  3.6685000000e-03  6.6240000000e-04 -4.5719000000e-03  1.4773000000e-03 -4.1878000000e-03  4.4781000000e-03
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6147700000e-01  3.7511200000e-01  4.4235200000e-01 -7.3443300000e-01  1.9023300000e-01  5.8365300000e-01 -3.6467800000e-01 -2.6726310000e+00  4.4977200000e-01 -4.0162900000e-01 -1.7303970000e+00  2.8527000000e-01 -8.5135600000e-01 -2.7931600000e+00  1.2651550000e+00
-ENERGY -1.526565929444e+02
-FORCES  3.4996000000e-03 -1.4204000000e-03  4.1928000000e-03 -4.9658000000e-03 -8.1440000000e-04 -1.8791000000e-03  4.3025000000e-03 -7.0016000000e-03 -2.5096000000e-03  2.4106000000e-03  1.3157700000e-02 -2.1765000000e-03 -6.8169000000e-03 -6.9682000000e-03  5.0141000000e-03  1.5700000000e-03  3.0470000000e-03 -2.6417000000e-03
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0778400000e-01 -3.6525600000e-01 -3.6097700000e-01  6.6564600000e-01 -1.8978400000e-01 -6.6115800000e-01  3.2078800000e-01 -2.1619830000e+00  1.8796980000e+00  1.2704240000e+00 -2.2818180000e+00  1.8875390000e+00  1.8589400000e-01 -1.3454970000e+00  1.3986730000e+00
-ENERGY -1.526606076303e+02
-FORCES -4.6610000000e-04 -2.5744000000e-03 -5.4918000000e-03  5.0490000000e-03  1.0673000000e-03  3.0978000000e-03 -3.2267000000e-03  4.2750000000e-04  3.8459000000e-03  2.2211000000e-03  9.8037000000e-03 -6.0376000000e-03 -2.7322000000e-03  3.6180000000e-04 -7.6280000000e-04 -8.4520000000e-04 -9.0857000000e-03  5.3485000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4754400000e-01  1.3561400000e-01 -5.3400000000e-04  3.0718600000e-01  4.4933700000e-01 -7.8737800000e-01  8.0551200000e-01  1.5482910000e+00 -2.0503850000e+00  1.7546210000e+00  1.4267840000e+00 -2.0246880000e+00  6.7139400000e-01  2.4517750000e+00 -1.7640970000e+00
-ENERGY -1.526596087711e+02
-FORCES  1.9367000000e-03  9.7047000000e-03 -1.4643400000e-02  2.6457000000e-03  7.1250000000e-04 -1.6740000000e-04  1.8180000000e-04 -6.1000000000e-03  8.2933000000e-03  5.0820000000e-04  6.8310000000e-04  6.3893000000e-03 -6.2114000000e-03  2.0500000000e-05  1.6554000000e-03  9.3910000000e-04 -5.0208000000e-03 -1.5272000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6179000000e-01 -2.1577700000e-01  3.5635600000e-01  7.3780000000e-02 -5.3511400000e-01 -7.9021600000e-01  1.5040590000e+00 -8.9336400000e-01  1.8944420000e+00  1.0476220000e+00 -6.3313700000e-01  1.0943310000e+00  1.3333870000e+00 -1.8100500000e-01  2.5105970000e+00
-ENERGY -1.526566630727e+02
-FORCES  3.8876000000e-03 -6.0025000000e-03  8.9296000000e-03  5.7529000000e-03  7.8530000000e-04 -1.7443000000e-03  2.7780000000e-04  1.6934000000e-03  6.5243000000e-03 -1.2928300000e-02  1.1544500000e-02 -1.7047400000e-02  3.8673000000e-03 -6.1166000000e-03  4.8033000000e-03 -8.5730000000e-04 -1.9041000000e-03 -1.4655000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3863800000e-01  8.4804600000e-01  2.8700800000e-01 -1.4021600000e-01 -5.8013200000e-01  7.4834400000e-01 -5.7765200000e-01  2.1325550000e+00  1.4175670000e+00 -6.0687700000e-01  3.0863310000e+00  1.3421360000e+00  1.0793900000e-01  1.9638290000e+00  2.0638860000e+00
-ENERGY -1.526579514459e+02
-FORCES -6.5985000000e-03  1.3819500000e-02  9.7887000000e-03  2.8529000000e-03 -6.4588000000e-03 -2.8658000000e-03  1.5425000000e-03  2.2862000000e-03 -9.6170000000e-04  5.1152000000e-03 -5.5949000000e-03 -3.9027000000e-03  1.3273000000e-03 -4.9617000000e-03  1.2309000000e-03 -4.2395000000e-03  9.0980000000e-04 -3.2894000000e-03
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4441000000e-02 -8.0663300000e-01  5.1245700000e-01  2.1665400000e-01  6.7725900000e-01  6.4079200000e-01  2.8185060000e+00 -5.5950000000e-03 -4.8599600000e-01  2.8974180000e+00 -7.8382800000e-01  6.5691000000e-02  1.8763030000e+00  1.0167400000e-01 -6.1629500000e-01
-ENERGY -1.526586806535e+02
-FORCES  8.5070000000e-04 -1.0069000000e-03  5.9116000000e-03  1.7671000000e-03  4.0811000000e-03 -2.5110000000e-03  7.7370000000e-04 -4.4037000000e-03 -4.6583000000e-03 -1.2019300000e-02 -3.6224000000e-03  1.1096000000e-03 -3.0480000000e-04  2.3587000000e-03 -7.9860000000e-04  8.9326000000e-03  2.5931000000e-03  9.4680000000e-04
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6372300000e-01  2.5192300000e-01 -7.9857900000e-01 -4.5749200000e-01  4.6551100000e-01  7.0016600000e-01 -5.2305900000e-01 -2.8961560000e+00  1.9280900000e-01 -2.7235100000e-01 -1.9723830000e+00  1.8834700000e-01 -1.3178430000e+00 -2.9316970000e+00 -3.3943800000e-01
-ENERGY -1.526606745915e+02
-FORCES -2.9705000000e-03  4.6561000000e-03 -4.2410000000e-04  1.4302000000e-03 -2.3229000000e-03  4.5670000000e-03  1.7799000000e-03 -2.7937000000e-03 -4.1649000000e-03  4.3330000000e-04  1.0110200000e-02 -2.0129000000e-03 -2.9904000000e-03 -1.0277400000e-02  6.4940000000e-04  2.3175000000e-03  6.2780000000e-04  1.3854000000e-03
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0194600000e-01 -6.2959600000e-01 -6.9214100000e-01  8.7573100000e-01 -2.4476600000e-01  2.9902700000e-01 -4.7607000000e-02  2.6829020000e+00  1.5299700000e-01 -5.4979000000e-02  1.7805890000e+00 -1.6639100000e-01 -1.2839500000e-01  3.2176920000e+00 -6.3675300000e-01
-ENERGY -1.526599712542e+02
-FORCES  2.2659000000e-03  1.9083000000e-03  7.2000000000e-04  1.8558000000e-03  3.4922000000e-03  3.3249000000e-03 -4.8717000000e-03  8.9580000000e-04 -2.8271000000e-03 -9.6110000000e-04 -1.3191300000e-02 -2.4005000000e-03  1.6378000000e-03  1.0563200000e-02 -3.1110000000e-04  7.3300000000e-05 -3.6683000000e-03  1.4938000000e-03
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6934000000e-02  9.4406500000e-01  1.4741500000e-01 -1.0819400000e-01 -3.8560500000e-01  8.6938800000e-01  2.1604790000e+00 -6.1510800000e-01 -1.4361480000e+00  1.5328760000e+00 -5.0651500000e-01 -7.2161700000e-01  1.9076420000e+00  4.6295000000e-02 -2.0802370000e+00
-ENERGY -1.526577020791e+02
-FORCES  4.4719000000e-03  1.1085000000e-03 -1.7170000000e-03  6.6980000000e-04 -5.3863000000e-03 -9.6700000000e-04  2.4144000000e-03  2.4017000000e-03 -5.1523000000e-03 -1.6846500000e-02  5.5900000000e-03  7.4314000000e-03  7.8971000000e-03 -2.9058000000e-03 -9.4560000000e-04  1.3933000000e-03 -8.0800000000e-04  1.3505000000e-03
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1989000000e-01  1.1382000000e-01  4.8068400000e-01  5.1200000000e-03 -9.1857500000e-01 -2.6912000000e-01  2.2969700000e-01 -2.9716800000e+00  1.7853400000e-01  1.1499230000e+00 -3.1832350000e+00  3.3556800000e-01 -1.7779400000e-01 -3.0162870000e+00  1.0435150000e+00
-ENERGY -1.526599739446e+02
-FORCES  3.5520000000e-03 -9.4380000000e-03  2.9140000000e-04 -2.4254000000e-03 -1.7080000000e-04 -9.9180000000e-04 -9.7820000000e-04  9.3057000000e-03  3.3200000000e-05  1.4125000000e-03 -2.2872000000e-03  5.3755000000e-03 -4.4023000000e-03  2.2199000000e-03 -3.1780000000e-04  2.8414000000e-03  3.7050000000e-04 -4.3905000000e-03
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3455700000e-01 -8.2163200000e-01  4.7227900000e-01 -9.1884500000e-01 -2.4440000000e-02 -2.6712800000e-01  2.1076550000e+00  1.1548000000e-01 -1.6812170000e+00  1.2028160000e+00  6.7000000000e-05 -1.3910830000e+00  2.1953970000e+00 -4.7097000000e-01 -2.4326220000e+00
-ENERGY -1.526589281798e+02
-FORCES  1.9032000000e-03 -2.4389000000e-03  1.6485000000e-03 -1.7039000000e-03  4.0224000000e-03 -3.6594000000e-03  5.9109000000e-03 -7.6050000000e-04 -1.0500000000e-04 -1.0839400000e-02 -2.9240000000e-04  6.7554000000e-03  7.1445000000e-03 -1.6947000000e-03 -8.1818000000e-03 -2.4153000000e-03  1.1640000000e-03  3.5423000000e-03
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5990000000e-02 -9.5387900000e-01  2.3925000000e-02 -7.5588600000e-01  2.8820700000e-01 -5.1166900000e-01 -1.9358830000e+00  4.8833600000e-01 -1.6199030000e+00 -2.8353910000e+00  1.7153100000e-01 -1.5377330000e+00 -1.9923550000e+00  1.2119120000e+00 -2.2439860000e+00
-ENERGY -1.526570154013e+02
-FORCES -1.6086700000e-02  1.8764000000e-03 -1.4225700000e-02 -8.4360000000e-04  2.1570000000e-03  7.0900000000e-05  4.3736000000e-03 -4.0590000000e-04  4.0404000000e-03  9.3957000000e-03 -1.3606000000e-03  8.5675000000e-03  4.6836000000e-03  1.9951000000e-03 -1.7333000000e-03 -1.5225000000e-03 -4.2620000000e-03  3.2802000000e-03
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.6019000000e-02  9.3125800000e-01 -1.9942500000e-01 -7.7125900000e-01 -4.6151000000e-02  5.6503300000e-01  2.1015100000e-01 -2.2109620000e+00 -1.6968640000e+00  1.1333600000e+00 -2.3639180000e+00 -1.4955620000e+00  2.7653000000e-02 -1.3415460000e+00 -1.3404350000e+00
-ENERGY -1.526608690283e+02
-FORCES -2.3058000000e-03  1.6220000000e-04  1.2388000000e-03 -8.6570000000e-04 -4.9957000000e-03  1.0435000000e-03  3.9472000000e-03  1.3414000000e-03 -3.3032000000e-03  2.3795000000e-03  1.0107900000e-02  8.5887000000e-03 -2.2560000000e-03 -1.2440000000e-04 -1.1755000000e-03 -8.9910000000e-04 -6.4913000000e-03 -6.3923000000e-03
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5965900000e-01 -3.2377400000e-01 -2.6905100000e-01 -5.5803800000e-01 -1.3583700000e-01 -7.6575000000e-01  2.1342210000e+00 -8.2968900000e-01 -1.5098590000e+00  1.8797880000e+00 -1.4224500000e+00 -2.2170590000e+00  2.1396600000e+00  3.7904000000e-02 -1.9141920000e+00
-ENERGY -1.526581277247e+02
-FORCES  1.0193900000e-02 -7.5624000000e-03 -9.6455000000e-03 -4.9216000000e-03  6.2631000000e-03  4.1455000000e-03  1.1963000000e-03  9.6980000000e-04  1.4598000000e-03 -4.8565000000e-03  1.3134000000e-03 -2.2522000000e-03  6.3570000000e-04  4.1201000000e-03  2.9727000000e-03 -2.2478000000e-03 -5.1039000000e-03  3.3198000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0420600000e-01  1.9912900000e-01  2.4288100000e-01  4.9111200000e-01  7.8944000000e-02  8.1780700000e-01  2.1301680000e+00 -2.8546500000e-01  1.7792200000e+00  2.2754880000e+00 -1.2268910000e+00  1.8732000000e+00  2.4931710000e+00  9.4447000000e-02  2.5792990000e+00
-ENERGY -1.526605697792e+02
-FORCES  5.8018000000e-03  5.9350000000e-04  7.2497000000e-03  3.7548000000e-03 -5.8530000000e-04  6.3710000000e-04 -8.7890000000e-03  2.4100000000e-04 -5.7136000000e-03  1.5448000000e-03 -2.8564000000e-03  5.5520000000e-04 -4.2260000000e-04  5.1010000000e-03  8.8120000000e-04 -1.8899000000e-03 -2.4939000000e-03 -3.6096000000e-03
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5672700000e-01 -3.6011000000e-01  2.2928500000e-01 -5.0627700000e-01 -5.0326000000e-02  8.1079100000e-01  2.7081450000e+00 -4.9895100000e-01  4.8414900000e-01  3.2214110000e+00 -8.0966600000e-01  1.2299680000e+00  2.9306300000e+00 -1.0995600000e+00 -2.2718800000e-01
-ENERGY -1.526598447855e+02
-FORCES  1.0558200000e-02 -1.4532000000e-03  5.6075000000e-03 -9.1305000000e-03 -1.1251000000e-03 -4.4992000000e-03  2.1032000000e-03 -4.3200000000e-05 -1.9812000000e-03  1.5795000000e-03 -1.3976000000e-03  4.2380000000e-04 -2.1639000000e-03  1.1477000000e-03 -4.2244000000e-03 -2.9465000000e-03  2.8714000000e-03  4.6734000000e-03
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6775000000e-02  6.3499000000e-01 -7.1472500000e-01 -7.4107200000e-01  2.1931600000e-01  5.6475200000e-01 -3.9535000000e-02  2.2832290000e+00 -1.7087600000e+00 -9.8623700000e-01  2.3311810000e+00 -1.8417560000e+00  1.5362200000e-01  2.9958150000e+00 -1.0995450000e+00
-ENERGY -1.526592677802e+02
-FORCES -1.1985000000e-03  9.9846000000e-03 -6.5067000000e-03 -2.8655000000e-03 -8.2924000000e-03  6.0019000000e-03  2.0627000000e-03  2.5890000000e-04 -2.2216000000e-03 -9.7060000000e-04  4.2687000000e-03  2.8331000000e-03  5.1960000000e-03 -2.4533000000e-03  3.0624000000e-03 -2.2242000000e-03 -3.7664000000e-03 -3.1691000000e-03
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5647000000e-02  9.5236100000e-01  4.3657000000e-02 -7.1171900000e-01 -2.0499700000e-01  6.0635300000e-01  3.3583200000e+00  5.2801700000e-01 -1.2998670000e+00  3.5001780000e+00 -3.4222600000e-01 -9.2732800000e-01  3.7045590000e+00  1.1303100000e+00 -6.4138800000e-01
-ENERGY -1.526542685607e+02
-FORCES -2.3696000000e-03  3.9579000000e-03  1.4939000000e-03 -1.1386000000e-03 -3.8665000000e-03  9.2550000000e-04  3.3023000000e-03  6.7630000000e-04 -2.4821000000e-03  1.0039000000e-03 -2.6197000000e-03  4.4823000000e-03  9.3880000000e-04  3.7451000000e-03 -1.7839000000e-03 -1.7369000000e-03 -1.8932000000e-03 -2.6358000000e-03
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2126100000e-01 -2.5631600000e-01 -4.2565000000e-02 -2.2125000000e-01 -5.3403000000e-02  9.2974600000e-01  6.5034100000e-01 -3.7279550000e+00  1.2354000000e+00 -2.8961400000e-01 -3.8783310000e+00  1.1348780000e+00  7.1727600000e-01 -3.0989850000e+00  1.9538340000e+00
-ENERGY -1.526539445568e+02
-FORCES  3.5142000000e-03 -1.8454000000e-03  2.8624000000e-03 -3.9018000000e-03  2.0501000000e-03  6.1380000000e-04  6.9930000000e-04 -2.2090000000e-04 -3.3205000000e-03 -4.4155000000e-03  1.3666000000e-03  1.9467000000e-03  4.0934000000e-03  3.3840000000e-04  1.0242000000e-03  1.0400000000e-05 -1.6888000000e-03 -3.1266000000e-03
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9805000000e-02  9.5274800000e-01  2.0936000000e-02 -5.9939600000e-01 -2.8242800000e-01 -6.9079000000e-01 -3.2255630000e+00  8.3206000000e-01  1.5440300000e+00 -3.1857360000e+00 -4.7573000000e-02  1.1686750000e+00 -3.4652830000e+00  1.3961080000e+00  8.0876400000e-01
-ENERGY -1.526535482277e+02
-FORCES -2.7229000000e-03  3.8029000000e-03 -1.5606000000e-03  9.0940000000e-04 -3.9920000000e-03 -1.3130000000e-03  1.5984000000e-03  8.4490000000e-04  3.0830000000e-03 -4.3100000000e-04 -2.3942000000e-03 -3.6578000000e-03 -1.1826000000e-03  3.9827000000e-03  8.1360000000e-04  1.8286000000e-03 -2.2443000000e-03  2.6349000000e-03
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9174900000e-01 -2.1189000000e-01  4.9443800000e-01  1.7612800000e-01 -7.8482800000e-01 -5.1889900000e-01 -2.0329860000e+00 -3.6164100000e-01  1.9435140000e+00 -2.9777610000e+00 -2.5341300000e-01  1.8343430000e+00 -1.9424460000e+00 -1.1416740000e+00  2.4908560000e+00
-ENERGY -1.526608206874e+02
-FORCES -7.8250000000e-03 -2.8070000000e-03  5.9637000000e-03  7.2462000000e-03  2.5950000000e-04 -8.0194000000e-03 -1.3142000000e-03  1.8772000000e-03  2.4966000000e-03 -1.5640000000e-03 -1.5305000000e-03  2.1254000000e-03  4.8155000000e-03 -1.3815000000e-03  7.5130000000e-04 -1.3584000000e-03  3.5823000000e-03 -3.3177000000e-03
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4038400000e-01 -2.4346000000e-01  8.6087100000e-01  9.5132900000e-01 -4.0066000000e-02  9.7978000000e-02 -2.0010020000e+00  1.7115400000e-01  2.0463220000e+00 -2.5455820000e+00 -2.4645500000e-01  1.3790380000e+00 -2.0465860000e+00  1.1054170000e+00  1.8430840000e+00
-ENERGY -1.526607419160e+02
-FORCES -2.0131000000e-03 -1.0029000000e-03  7.7330000000e-03  4.9568000000e-03 -6.7290000000e-04 -8.4942000000e-03 -3.7928000000e-03  3.6680000000e-04  1.0872000000e-03 -3.5836000000e-03  4.5562000000e-03 -5.2205000000e-03  4.3299000000e-03  1.4577000000e-03  3.2701000000e-03  1.0280000000e-04 -4.7050000000e-03  1.6244000000e-03
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4868300000e-01  8.7592000000e-02 -9.2520000000e-02 -2.7137300000e-01  7.9721200000e-01  4.5501700000e-01 -5.9132900000e-01 -1.5862390000e+00  1.9845310000e+00 -4.0907900000e-01 -2.5085880000e+00  1.8048370000e+00 -5.2595500000e-01 -1.1579760000e+00  1.1309800000e+00
-ENERGY -1.526585035490e+02
-FORCES  2.1549000000e-03 -3.8142000000e-03  1.1027800000e-02 -4.8374000000e-03  4.3840000000e-04  1.7000000000e-04  1.7126000000e-03 -5.4329000000e-03 -1.9952000000e-03  4.2785000000e-03  9.3768000000e-03 -1.6099800000e-02  6.9370000000e-04  3.4785000000e-03 -1.3465000000e-03 -4.0023000000e-03 -4.0465000000e-03  8.2437000000e-03
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7907700000e-01 -1.6075900000e-01  8.1294100000e-01  9.1991800000e-01 -1.1982500000e-01  2.3585000000e-01 -1.8672720000e+00  8.8329000000e-02  1.8589780000e+00 -2.6810670000e+00 -7.3487000000e-02  1.3817090000e+00 -1.9190970000e+00 -4.8562700000e-01  2.6232560000e+00
-ENERGY -1.526588477202e+02
-FORCES -1.0039400000e-02  1.2057000000e-03  1.2119400000e-02  7.9202000000e-03 -2.6258000000e-03 -6.4201000000e-03 -3.9024000000e-03 -7.9500000000e-05  1.8046000000e-03  3.8010000000e-04 -9.4210000000e-04 -6.3483000000e-03  4.1820000000e-03  6.0700000000e-05  3.9060000000e-03  1.4594000000e-03  2.3809000000e-03 -5.0615000000e-03
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5811400000e-01 -1.4447600000e-01 -6.7988600000e-01  4.7338000000e-02  9.3808600000e-01  1.8435200000e-01  1.3843600000e-01 -1.6969120000e+00  2.1663010000e+00  7.8139000000e-02 -1.1681570000e+00  1.3706790000e+00  2.0635300000e-01 -2.5981190000e+00  1.8509540000e+00
-ENERGY -1.526609203042e+02
-FORCES  2.7914000000e-03  1.2520000000e-03  2.6600000000e-03 -3.2769000000e-03  7.5890000000e-04  3.7694000000e-03  4.7510000000e-04 -4.6653000000e-03 -2.1895000000e-03 -1.4702000000e-03  6.7319000000e-03 -1.1529000000e-02  1.2129000000e-03 -7.2800000000e-03  7.7822000000e-03  2.6770000000e-04  3.2025000000e-03 -4.9310000000e-04
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7628600000e-01  8.3564300000e-01  3.7629500000e-01  8.5558600000e-01  1.8283600000e-01 -3.8829900000e-01 -2.3339340000e+00 -3.6140200000e-01 -1.7442660000e+00 -2.0768480000e+00 -1.2817290000e+00 -1.8002660000e+00 -1.7428970000e+00  1.3574000000e-02 -1.0913500000e+00
-ENERGY -1.526587775567e+02
-FORCES  4.2663000000e-03  2.9073000000e-03 -9.2040000000e-04 -9.9520000000e-04 -4.8560000000e-03 -4.5767000000e-03 -3.9912000000e-03 -6.9890000000e-04  2.6232000000e-03  1.0021800000e-02 -3.1736000000e-03  6.2257000000e-03 -2.0101000000e-03  2.1326000000e-03 -1.3551000000e-03 -7.2918000000e-03  3.6885000000e-03 -1.9966000000e-03
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3578300000e-01 -6.3998500000e-01 -6.7160800000e-01 -5.3773200000e-01 -2.3614900000e-01  7.5585000000e-01 -9.6807000000e-02  2.7057360000e+00 -4.8296900000e-01 -1.4438000000e-02  1.7615210000e+00 -6.1678000000e-01 -8.3473400000e-01  2.7992720000e+00  1.1948200000e-01
-ENERGY -1.526584391129e+02
-FORCES -2.7905000000e-03  1.6913000000e-03  2.3102000000e-03  6.5360000000e-04  4.6183000000e-03  3.3104000000e-03  2.0458000000e-03  6.8790000000e-04 -4.3899000000e-03 -1.4017000000e-03 -1.4602900000e-02  4.5435000000e-03 -1.9220000000e-04  7.4079000000e-03 -4.7006000000e-03  1.6851000000e-03  1.9740000000e-04 -1.0735000000e-03
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5380300000e-01 -5.1016000000e-02 -6.2363000000e-02  2.3014300000e-01 -6.3223400000e-01  6.8084200000e-01  2.0969630000e+00  7.1894500000e-01 -1.5228340000e+00  1.4890180000e+00  2.6719900000e-01 -9.3754800000e-01  2.3631130000e+00  5.0846000000e-02 -2.1545300000e+00
-ENERGY -1.526580431235e+02
-FORCES -1.1640000000e-04  2.0412000000e-03 -4.0655000000e-03  4.2757000000e-03 -9.9160000000e-04  2.4046000000e-03  1.8000000000e-06  3.0572000000e-03 -5.3397000000e-03 -1.1339100000e-02 -4.3940000000e-03  5.5113000000e-03  9.0620000000e-03 -9.6460000000e-04 -1.1541000000e-03 -1.8839000000e-03  1.2518000000e-03  2.6434000000e-03
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5940000000e-02  9.2408500000e-01 -2.4073000000e-01 -8.7931400000e-01 -2.3391100000e-01  2.9719500000e-01  1.8051560000e+00 -2.7776300000e-01  1.9764850000e+00  1.1483860000e+00 -1.8691400000e-01  1.2861000000e+00  1.5728600000e+00  3.9313100000e-01  2.6184910000e+00
-ENERGY -1.526593822641e+02
-FORCES  9.2240000000e-04  1.3945000000e-03  3.6236000000e-03 -9.1100000000e-05 -5.0591000000e-03  2.9669000000e-03  5.2762000000e-03  2.5203000000e-03 -7.5680000000e-04 -1.1785800000e-02  2.6377000000e-03 -1.1706900000e-02  6.2283000000e-03 -1.0510000000e-04  8.7393000000e-03 -5.4990000000e-04 -1.3882000000e-03 -2.8661000000e-03
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4728700000e-01  4.0123000000e-02 -7.0401800000e-01  1.3626900000e-01 -8.5760800000e-01  4.0270500000e-01 -7.9072600000e-01 -2.8433820000e+00 -1.2706970000e+00 -1.4421310000e+00 -2.5593300000e+00 -6.2943400000e-01 -8.8648500000e-01 -2.2289300000e+00 -1.9983720000e+00
-ENERGY -1.526567556328e+02
-FORCES  4.8695000000e-03 -5.6879000000e-03 -1.8980000000e-03 -3.0377000000e-03  8.4320000000e-04  2.1279000000e-03 -2.2380000000e-03  4.5078000000e-03  7.0100000000e-05 -4.8332000000e-03  5.7272000000e-03 -1.1874000000e-03  3.8963000000e-03 -2.0986000000e-03 -1.2653000000e-03  1.3430000000e-03 -3.2917000000e-03  2.1528000000e-03
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0699200000e-01  2.6134200000e-01  5.8999500000e-01  8.0191900000e-01  2.0632400000e-01  4.8019600000e-01 -4.5162000000e-02  2.1292770000e+00 -1.5605770000e+00 -2.0497100000e-01  1.2512540000e+00 -1.2145020000e+00  8.5033000000e-02  2.6733480000e+00 -7.8387400000e-01
-ENERGY -1.526556808196e+02
-FORCES  2.9022000000e-03  9.0301000000e-03 -1.4377000000e-03  4.4917000000e-03  1.4727000000e-03 -4.9569000000e-03 -5.3094000000e-03  2.2100000000e-05 -1.7034000000e-03  9.4140000000e-04 -1.5841500000e-02  1.3043800000e-02 -2.9019000000e-03  6.9850000000e-03 -3.8821000000e-03 -1.2400000000e-04 -1.6683000000e-03 -1.0637000000e-03
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3133500000e-01 -6.6825000000e-02 -2.1067100000e-01 -4.3669000000e-02  6.6604900000e-01  6.8607900000e-01 -1.3617680000e+00  6.3524200000e-01 -2.2846920000e+00 -1.3970370000e+00  1.5537380000e+00 -2.5518110000e+00 -6.7834100000e-01  6.0610700000e-01 -1.6151330000e+00
-ENERGY -1.526580756961e+02
-FORCES -3.8230000000e-04  1.1003000000e-03  2.0563000000e-03 -6.4133000000e-03  2.3516000000e-03 -1.0905000000e-03  8.8960000000e-04 -2.9329000000e-03 -4.6376000000e-03  6.1678000000e-03 -1.7694000000e-03  1.1013400000e-02  1.2040000000e-03 -2.8406000000e-03  2.7919000000e-03 -1.4658000000e-03  4.0910000000e-03 -1.0133500000e-02
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4824400000e-01  1.1728800000e-01  5.7521000000e-02 -2.0687000000e-01 -6.2627900000e-01  6.9369400000e-01  2.5592150000e+00  3.7230100000e-01  3.1452400000e-01  2.7999810000e+00  1.2272560000e+00  6.7133700000e-01  3.2844650000e+00  1.4167200000e-01 -2.6604000000e-01
-ENERGY -1.526592034950e+02
-FORCES  1.9191200000e-02  9.3800000000e-04  3.1963000000e-03 -7.9584000000e-03 -2.9710000000e-04 -1.8930000000e-04  1.4942000000e-03  1.6988000000e-03 -1.4461000000e-03 -9.7625000000e-03  5.5300000000e-05 -2.7639000000e-03 -4.7800000000e-05 -4.9130000000e-03 -2.5920000000e-03 -2.9166000000e-03  2.5179000000e-03  3.7949000000e-03
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1096300000e-01  5.0073200000e-01 -7.5418900000e-01  7.0208700000e-01  7.8092000000e-02  6.4591600000e-01 -7.6868000000e-02 -2.7888470000e+00  9.2787000000e-02  1.2630000000e-02 -1.8412200000e+00 -8.3260000000e-03 -7.8853500000e-01 -2.8967210000e+00  7.2375900000e-01
-ENERGY -1.526607378122e+02
-FORCES  2.6716000000e-03  9.9780000000e-04 -1.2781000000e-03 -8.3610000000e-04 -2.4033000000e-03  4.5881000000e-03 -4.0590000000e-03 -2.7296000000e-03 -4.4172000000e-03 -3.3837000000e-03  1.3181500000e-02 -4.4120000000e-04  3.1773000000e-03 -9.5418000000e-03  2.8555000000e-03  2.4300000000e-03  4.9540000000e-04 -1.3072000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2868400000e-01  9.2520500000e-01  8.9053000000e-02  2.2123000000e-02 -3.3985800000e-01  8.9456100000e-01 -1.9918740000e+00 -5.7362200000e-01 -1.8071050000e+00 -2.0888770000e+00 -1.3899000000e-01 -2.6544050000e+00 -1.2212540000e+00 -1.6389400000e-01 -1.4140400000e+00
-ENERGY -1.526590569795e+02
-FORCES -3.7092000000e-03 -2.0577000000e-03  3.2712000000e-03 -2.2480000000e-03 -4.6066000000e-03 -1.6820000000e-03  1.6044000000e-03  3.1762000000e-03 -3.3280000000e-03  8.2669000000e-03  1.9805000000e-03  6.1792000000e-03  2.0141000000e-03 -1.0800000000e-04  3.8329000000e-03 -5.9282000000e-03  1.6156000000e-03 -8.2733000000e-03
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0882100000e-01 -3.6825200000e-01 -5.2744300000e-01  1.6671500000e-01  9.4256900000e-01  1.4880000000e-03 -5.6791100000e-01 -3.8746870000e+00 -2.9362000000e-01  3.1773600000e-01 -3.9363860000e+00 -6.5146900000e-01 -1.1377900000e+00 -3.8712450000e+00 -1.0626820000e+00
-ENERGY -1.526528525935e+02
-FORCES  3.6746000000e-03  1.8344000000e-03 -1.7843000000e-03 -2.5967000000e-03  1.7291000000e-03  1.6680000000e-03 -8.7020000000e-04 -4.0414000000e-03  2.7500000000e-05  5.0360000000e-04  1.6140000000e-04 -4.2266000000e-03 -3.3210000000e-03  7.2480000000e-04  1.3283000000e-03  2.6097000000e-03 -4.0820000000e-04  2.9871000000e-03
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1435700000e-01  1.2709500000e-01 -2.5304100000e-01  5.0229300000e-01  2.9064100000e-01 -7.6122300000e-01 -3.1867280000e+00  2.0221590000e+00  9.2312200000e-01 -3.2409140000e+00  2.6788320000e+00  2.2880500000e-01 -4.0821510000e+00  1.9472790000e+00  1.2530340000e+00
-ENERGY -1.526552241132e+02
-FORCES -2.9610000000e-03  2.2524000000e-03 -2.9880000000e-03  5.2827000000e-03 -1.6948000000e-03 -6.9650000000e-04 -1.9810000000e-03 -9.9740000000e-04  2.8812000000e-03 -4.6009000000e-03  3.3659000000e-03 -6.8300000000e-05  4.4930000000e-04 -3.3884000000e-03  2.4474000000e-03  3.8110000000e-03  4.6230000000e-04 -1.5757000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9128300000e-01  8.7758500000e-01 -3.3088800000e-01 -7.9258100000e-01 -2.5682700000e-01  4.7126200000e-01  6.1565000000e-01 -1.9571750000e+00 -1.7925590000e+00  1.5527600000e+00 -1.9502610000e+00 -1.9875150000e+00  4.8326500000e-01 -1.1988100000e+00 -1.2237110000e+00
-ENERGY -1.526612526374e+02
-FORCES -3.1817000000e-03 -2.3626000000e-03 -2.0308000000e-03  6.6590000000e-04 -4.9123000000e-03  1.6413000000e-03  3.8663000000e-03  2.6297000000e-03 -2.7546000000e-03 -9.2120000000e-04  1.0510300000e-02  9.7511000000e-03 -2.7219000000e-03  1.3668000000e-03  1.1001000000e-03  2.2926000000e-03 -7.2319000000e-03 -7.7072000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3694900000e-01 -9.0758100000e-01  1.9074500000e-01 -4.1730100000e-01  5.0823700000e-01  6.9554800000e-01 -4.0488200000e-01  1.7285520000e+00  2.3069800000e+00 -1.3310380000e+00  1.5819560000e+00  2.4992760000e+00  5.3533000000e-02  1.4294560000e+00  3.0922370000e+00
-ENERGY -1.526582705609e+02
-FORCES -1.4767000000e-03  3.9593000000e-03  8.2995000000e-03  5.3800000000e-04  3.5032000000e-03  4.4590000000e-04 -2.8613000000e-03 -6.5956000000e-03 -7.3447000000e-03  1.6808000000e-03 -4.9770000000e-04  5.4803000000e-03  5.4661000000e-03 -1.9664000000e-03 -3.5624000000e-03 -3.3468000000e-03  1.5972000000e-03 -3.3185000000e-03
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4339300000e-01 -3.0418200000e-01 -3.3525100000e-01 -1.1447700000e-01 -4.7156600000e-01  8.2507700000e-01 -2.8584770000e+00  8.3966900000e-01  1.1542590000e+00 -2.1036850000e+00  1.1675080000e+00  1.6431800000e+00 -2.9147040000e+00  1.4108550000e+00  3.8821900000e-01
-ENERGY -1.526554045037e+02
-FORCES  1.8597000000e-03 -4.7278000000e-03  1.8455000000e-03 -3.9748000000e-03  1.2307000000e-03  1.3643000000e-03  2.0190000000e-03  3.3128000000e-03 -2.6206000000e-03  4.9034000000e-03  3.9873000000e-03 -4.1242000000e-03 -3.1468000000e-03 -2.4489000000e-03 -1.1540000000e-04 -1.6605000000e-03 -1.3541000000e-03  3.6504000000e-03
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3567500000e-01 -1.2957600000e-01 -1.5477300000e-01 -4.2265700000e-01 -3.3423500000e-01 -7.9112600000e-01 -1.8934110000e+00 -6.6294300000e-01 -1.6538670000e+00 -1.9519820000e+00 -1.5416110000e+00 -2.0290250000e+00 -2.3053340000e+00 -9.5753000000e-02 -2.3056700000e+00
-ENERGY -1.526577721914e+02
-FORCES -1.1142100000e-02 -3.4730000000e-03 -1.0235600000e-02 -4.3178000000e-03 -8.5840000000e-04 -1.9292000000e-03  8.5785000000e-03  1.8290000000e-04  4.6242000000e-03  3.4895000000e-03  3.0527000000e-03  3.2360000000e-03  1.6340000000e-03  5.3179000000e-03  1.5658000000e-03  1.7579000000e-03 -4.2221000000e-03  2.7388000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0015100000e-01 -7.6922600000e-01 -5.3335000000e-01  2.8243000000e-02  7.2454600000e-01 -6.2487400000e-01  1.4721980000e+00  1.8631100000e-01  1.9541300000e+00  9.1350100000e-01 -2.9698300000e-01  2.5628300000e+00  1.0669940000e+00  5.1166000000e-02  1.0975220000e+00
-ENERGY -1.526523149748e+02
-FORCES  1.5192100000e-02  2.0567000000e-03  1.7763200000e-02  9.4860000000e-04  5.2685000000e-03  2.9764000000e-03  3.6270000000e-04 -5.6961000000e-03  2.9489000000e-03 -2.0500700000e-02 -3.5579000000e-03 -2.3406200000e-02  9.6590000000e-04  1.3490000000e-04 -1.8338000000e-03  3.0314000000e-03  1.7939000000e-03  1.5515000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4440600000e-01  6.8503000000e-02 -1.4012800000e-01  1.0004200000e-01 -7.3390200000e-01  6.0630900000e-01 -2.6840450000e+00 -4.6484000000e-02 -2.0502500000e-01 -3.2810700000e+00  1.0225100000e-01 -9.3828500000e-01 -2.9715800000e+00  5.7088000000e-01  4.6759400000e-01
-ENERGY -1.526600534488e+02
-FORCES -1.5828300000e-02 -3.3866000000e-03 -1.5574000000e-03  8.3300000000e-03  2.5498000000e-03  3.3986000000e-03 -6.3750000000e-04  2.2639000000e-03 -1.1018000000e-03  3.4110000000e-03  1.8512000000e-03 -1.2640000000e-03  2.0941000000e-03 -1.5600000000e-05  4.8557000000e-03  2.6308000000e-03 -3.2627000000e-03 -4.3311000000e-03
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3948100000e-01  1.1265500000e-01  1.4462300000e-01  2.3161900000e-01  6.9023000000e-01 -6.2142300000e-01  7.8694600000e-01 -1.5616480000e+00 -1.9298380000e+00  1.1698500000e-01 -1.4107990000e+00 -2.5966430000e+00  4.0276900000e-01 -1.2205760000e+00 -1.1221810000e+00
-ENERGY -1.526567562232e+02
-FORCES  2.3167000000e-03 -1.7222000000e-03 -8.7858000000e-03  5.1865000000e-03 -1.1958000000e-03 -3.1708000000e-03 -3.0763000000e-03 -5.5368000000e-03  2.4379000000e-03 -8.5637000000e-03  9.5833000000e-03  1.5360300000e-02  1.4440000000e-03  1.4569000000e-03  3.0105000000e-03  2.6929000000e-03 -2.5854000000e-03 -8.8521000000e-03
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4832800000e-01 -9.3856600000e-01  1.1543500000e-01  7.4029800000e-01  5.3418000000e-02 -6.0443100000e-01  3.3384110000e+00 -5.2690600000e-01  1.4533430000e+00  3.3877740000e+00  4.2744700000e-01  1.3985130000e+00  2.6315860000e+00 -6.9524800000e-01  2.0764740000e+00
-ENERGY -1.526563198080e+02
-FORCES  3.2318000000e-03 -4.3589000000e-03 -2.9255000000e-03  1.5320000000e-04  3.8811000000e-03  1.2490000000e-04 -3.8961000000e-03  7.1220000000e-04  2.1690000000e-03 -3.4883000000e-03  4.0063000000e-03  3.3162000000e-03  4.0660000000e-04 -3.9729000000e-03 -3.4750000000e-04  3.5929000000e-03 -2.6780000000e-04 -2.3372000000e-03
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3701400000e-01  6.8536800000e-01  5.7699500000e-01 -6.1153600000e-01 -1.6087000000e-02 -7.3620400000e-01 -3.9870800000e-01 -2.0437560000e+00  1.6392830000e+00 -3.6359200000e-01 -1.2261850000e+00  1.1427180000e+00 -1.0814550000e+00 -1.8977030000e+00  2.2940790000e+00
-ENERGY -1.526565028920e+02
-FORCES -3.0029000000e-03 -3.4719000000e-03  7.4000000000e-04  6.1000000000e-05 -8.4267000000e-03 -8.9150000000e-04  2.8319000000e-03  5.1240000000e-04  5.2166000000e-03  2.7978000000e-03  1.2694300000e-02 -1.1051300000e-02 -4.8241000000e-03 -3.8172000000e-03  9.5855000000e-03  2.1362000000e-03  2.5092000000e-03 -3.5993000000e-03
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1133700000e-01  8.8611600000e-01  1.8466200000e-01  6.0818900000e-01 -3.3569400000e-01 -6.5851900000e-01  3.1166500000e-01  2.5450890000e+00  7.4369000000e-01  5.1175000000e-01  3.0093990000e+00  1.5564710000e+00  1.1189320000e+00  2.5980520000e+00  2.3207800000e-01
-ENERGY -1.526542795596e+02
-FORCES  2.3020000000e-04  1.2156600000e-02  4.8027000000e-03  5.8590000000e-03 -4.3788000000e-03 -7.4844000000e-03 -8.1450000000e-04  4.2908000000e-03  2.6957000000e-03  8.9380000000e-04 -3.9065000000e-03  2.6459000000e-03 -4.1190000000e-04 -1.0644000000e-03 -5.1829000000e-03 -5.7567000000e-03 -7.0977000000e-03  2.5230000000e-03
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4708500000e-01 -5.6659500000e-01 -6.8900900000e-01  6.0015900000e-01 -1.2157700000e-01  7.3570400000e-01  1.9674600000e+00 -2.5439100000e-01  1.8889390000e+00  2.0290780000e+00  6.4582700000e-01  2.2083790000e+00  1.9499290000e+00 -7.8984500000e-01  2.6821680000e+00
-ENERGY -1.526609178850e+02
-FORCES  1.1863900000e-02 -4.2682000000e-03  8.2182000000e-03 -1.0256000000e-03  1.2652000000e-03  1.8769000000e-03 -7.2371000000e-03  3.9451000000e-03 -5.5082000000e-03 -2.1378000000e-03  1.1422000000e-03  9.1730000000e-04 -1.8231000000e-03 -5.6374000000e-03 -1.7077000000e-03  3.5970000000e-04  3.5531000000e-03 -3.7965000000e-03
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9933000000e-01  4.8044100000e-01  6.6036100000e-01 -2.2445600000e-01  4.2580000000e-01 -8.2737300000e-01 -5.0492600000e-01  2.0417580000e+00 -1.9252450000e+00 -1.4085480000e+00  2.2920500000e+00 -2.1177370000e+00 -3.3057000000e-02  2.1984960000e+00 -2.7431720000e+00
-ENERGY -1.526600042412e+02
-FORCES -2.9977000000e-03  1.0471100000e-02 -5.8750000000e-03  8.6550000000e-04 -2.0596000000e-03 -1.2405000000e-03  7.9290000000e-04 -7.6159000000e-03  4.6172000000e-03 -1.8410000000e-04  1.4631000000e-03 -2.5112000000e-03  4.7068000000e-03 -1.5227000000e-03  1.2002000000e-03 -3.1834000000e-03 -7.3590000000e-04  3.8093000000e-03
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6945100000e-01  9.1132900000e-01 -1.1448600000e-01  6.6294800000e-01 -5.0696500000e-01 -4.6874100000e-01 -1.8246710000e+00 -4.7195300000e-01 -2.1002900000e+00 -1.7251900000e+00  8.1443000000e-02 -2.8749430000e+00 -1.1644180000e+00 -1.4807600000e-01 -1.4875900000e+00
-ENERGY -1.526584547344e+02
-FORCES  4.3412000000e-03 -7.6100000000e-05  6.8770000000e-04 -3.0125000000e-03 -5.5320000000e-03 -2.1500000000e-03 -5.7847000000e-03  4.1301000000e-03  3.5580000000e-04  6.1824000000e-03  3.5115000000e-03  8.2660000000e-03  1.3841000000e-03 -1.1310000000e-03  3.9078000000e-03 -3.1105000000e-03 -9.0240000000e-04 -1.1067300000e-02
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3222600000e-01  4.4133400000e-01 -7.3118900000e-01 -9.3426000000e-01  6.8649000000e-02 -1.9666400000e-01  1.9671450000e+00  8.6688300000e-01 -1.8348370000e+00  1.9968360000e+00  1.7994850000e+00 -2.0483910000e+00  2.7754530000e+00  7.0633200000e-01 -1.3479140000e+00
-ENERGY -1.526610995133e+02
-FORCES  5.0932000000e-03  2.8554000000e-03 -8.1788000000e-03 -8.4829000000e-03 -1.5879000000e-03  7.2385000000e-03  3.6141000000e-03  8.2200000000e-04 -6.5870000000e-04  4.5442000000e-03  6.9290000000e-04  2.9367000000e-03 -1.0932000000e-03 -4.7440000000e-03  1.8766000000e-03 -3.6755000000e-03  1.9616000000e-03 -3.2143000000e-03
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6523400000e-01 -8.7566000000e-01 -3.4949800000e-01  2.6876000000e-01  5.1520800000e-01 -7.6063200000e-01 -8.9536400000e-01 -1.6502200000e+00  3.1534040000e+00 -1.2671830000e+00 -8.3621500000e-01  2.8137300000e+00 -1.2320150000e+00 -2.3298670000e+00  2.5694710000e+00
-ENERGY -1.526549513209e+02
-FORCES  1.8405000000e-03 -1.3040000000e-03 -5.0930000000e-03 -2.7050000000e-04  3.6255000000e-03  1.6015000000e-03 -1.1270000000e-03 -2.3351000000e-03  3.2018000000e-03 -2.1524000000e-03  2.1730000000e-03 -4.5019000000e-03  2.7830000000e-04 -4.3584000000e-03  2.8363000000e-03  1.4311000000e-03  2.1990000000e-03  1.9553000000e-03
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2272200000e-01  4.1235000000e-02 -6.2626200000e-01 -2.2479600000e-01  6.4682900000e-01  6.6881300000e-01 -2.5990000000e-02 -2.6562950000e+00  2.9975900000e-01  7.9911300000e-01 -2.9610220000e+00 -7.7838000000e-02  1.0274300000e-01 -1.7169660000e+00  4.3136600000e-01
-ENERGY -1.526604337557e+02
-FORCES -4.0970000000e-03 -4.7122000000e-03 -1.3465000000e-03  3.7984000000e-03  9.8920000000e-04  4.1384000000e-03  3.2810000000e-04 -4.1127000000e-03 -3.5121000000e-03  3.2621000000e-03  1.5666300000e-02 -1.4069000000e-03 -2.2896000000e-03  1.7276000000e-03  7.3450000000e-04 -1.0020000000e-03 -9.5581000000e-03  1.3927000000e-03
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4850900000e-01 -4.8885000000e-02 -1.1905000000e-01  1.7491700000e-01  9.2826500000e-01  1.5479000000e-01 -2.7501180000e+00  4.2855200000e-01 -2.5524300000e-01 -2.7950420000e+00  1.2705890000e+00  1.9773300000e-01 -3.1899690000e+00  5.8209800000e-01 -1.0914170000e+00
-ENERGY -1.526595612346e+02
-FORCES -1.2996900000e-02  3.6773000000e-03 -1.6856000000e-03  9.3899000000e-03 -9.4740000000e-04  1.8563000000e-03 -9.7060000000e-04 -2.1067000000e-03 -5.1700000000e-05  8.8760000000e-04  3.2022000000e-03 -1.6888000000e-03  1.6710000000e-03 -4.0714000000e-03 -3.1293000000e-03  2.0190000000e-03  2.4610000000e-04  4.6990000000e-03
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9317900000e-01  6.9642600000e-01  6.2761900000e-01  9.4448600000e-01 -1.3592200000e-01  7.5521000000e-02 -2.1245980000e+00 -7.4409300000e-01 -1.5117420000e+00 -1.4099700000e+00 -3.8037200000e-01 -9.8901300000e-01 -2.2923400000e+00 -8.2124000000e-02 -2.1824820000e+00
-ENERGY -1.526597614834e+02
-FORCES -9.9440000000e-04 -2.4311000000e-03 -2.5826000000e-03  1.1944000000e-03 -3.3918000000e-03 -4.0330000000e-03 -4.1575000000e-03  2.3974000000e-03  1.5881000000e-03  1.1265100000e-02  4.1555000000e-03  5.2810000000e-03 -8.6041000000e-03  4.7510000000e-04 -2.8944000000e-03  1.2965000000e-03 -1.2052000000e-03  2.6410000000e-03
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0929000000e-02 -8.5065600000e-01 -4.3874500000e-01 -7.1254600000e-01 -4.9466000000e-02  6.3723100000e-01  1.0002350000e+00 -3.2806440000e+00  8.0208600000e-01  1.7190030000e+00 -3.0346960000e+00  2.1975100000e-01  1.1772480000e+00 -2.8072510000e+00  1.6149800000e+00
-ENERGY -1.526570190136e+02
-FORCES -3.9707000000e-03 -5.2900000000e-03  7.7060000000e-04  9.2800000000e-04  5.2618000000e-03  5.0660000000e-04  2.9910000000e-03  9.0150000000e-04 -2.0543000000e-03  5.3386000000e-03  2.6589000000e-03  2.3962000000e-03 -4.0265000000e-03 -9.1490000000e-04  1.6808000000e-03 -1.2604000000e-03 -2.6173000000e-03 -3.2997000000e-03
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3153700000e-01 -8.9049900000e-01  1.1543900000e-01  1.4905900000e-01  4.2307500000e-01  8.4558900000e-01  1.8227040000e+00  4.7002100000e-01 -2.0058280000e+00  1.5595340000e+00 -1.4643700000e-01 -2.6891680000e+00  1.1497820000e+00  3.8171400000e-01 -1.3308400000e+00
-ENERGY -1.526601121564e+02
-FORCES  4.0009000000e-03 -3.5270000000e-04  2.1023000000e-03 -5.8850000000e-04  5.8998000000e-03 -2.5262000000e-03 -4.6790000000e-04 -3.0944000000e-03 -4.2870000000e-03 -1.1569400000e-02 -1.4480000000e-03  8.2918000000e-03  2.9100000000e-04  7.9530000000e-04  3.2971000000e-03  8.3339000000e-03 -1.8001000000e-03 -6.8779000000e-03
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4889500000e-01 -1.1943100000e-01 -3.9580000000e-02  1.2521300000e-01  7.2608600000e-01  6.1102600000e-01  2.0029240000e+00  1.0090300000e+00 -1.7582040000e+00  2.0373700000e+00  1.9617000000e+00 -1.6717970000e+00  1.1123780000e+00  7.7627800000e-01 -1.4955530000e+00
-ENERGY -1.526586103052e+02
-FORCES -1.1310000000e-03  1.0596000000e-03  4.5906000000e-03  5.1441000000e-03  1.4329000000e-03 -2.4190000000e-04 -1.3464000000e-03 -2.6310000000e-03 -4.7781000000e-03 -7.8659000000e-03 -2.1428000000e-03  4.5307000000e-03 -9.3890000000e-04 -3.4189000000e-03  1.1357000000e-03  6.1381000000e-03  5.7002000000e-03 -5.2370000000e-03
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0735900000e-01 -8.3806900000e-01  4.1337000000e-01  3.9078000000e-02  6.3606000000e-01  7.1423500000e-01  2.1344200000e+00  2.6061000000e-02 -1.7386680000e+00  1.4319540000e+00 -2.4408000000e-02 -1.0904190000e+00  2.9399810000e+00 -1.1304000000e-02 -1.2230060000e+00
-ENERGY -1.526590118687e+02
-FORCES  1.2745000000e-03  1.0083000000e-03  2.2492000000e-03  2.1166000000e-03  5.9015000000e-03 -3.7194000000e-03  5.5800000000e-04 -4.3413000000e-03 -3.3946000000e-03 -1.0054800000e-02  1.2897000000e-03  9.5455000000e-03  9.7379000000e-03 -3.7531000000e-03 -4.5555000000e-03 -3.6323000000e-03 -1.0510000000e-04 -1.2520000000e-04
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4970000000e-01  8.8860000000e-02 -8.0037000000e-02  1.2608500000e-01 -8.3983200000e-01  4.4160700000e-01 -2.6372080000e+00 -1.1739500000e-01  4.5895500000e-01 -3.2391090000e+00  6.5060000000e-03 -2.7493600000e-01 -2.9947660000e+00  4.3044400000e-01  1.1577080000e+00
-ENERGY -1.526591380517e+02
-FORCES -1.6854300000e-02 -3.6531000000e-03  4.6700000000e-03  6.6886000000e-03  1.6636000000e-03 -4.8232000000e-03  7.8160000000e-04  2.0607000000e-03 -8.7370000000e-04  4.0283000000e-03  2.6667000000e-03  1.5779000000e-03  4.7614000000e-03  3.7960000000e-04  3.7625000000e-03  5.9440000000e-04 -3.1175000000e-03 -4.3135000000e-03
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2113100000e-01 -1.2435200000e-01 -2.2866100000e-01 -1.3565000000e-02  8.1036700000e-01  5.0926700000e-01 -2.4923900000e-01  2.0209140000e+00  1.6975490000e+00 -1.0319700000e+00  1.7999730000e+00  2.2022750000e+00  4.5806500000e-01  2.0281030000e+00  2.3424540000e+00
-ENERGY -1.526592753317e+02
-FORCES -7.9800000000e-05  1.4640200000e-02  1.0361300000e-02 -2.1360000000e-03  1.7665000000e-03  2.3180000000e-03  1.1706000000e-03 -8.4317000000e-03 -6.1071000000e-03 -2.7730000000e-04 -8.5334000000e-03 -7.6900000000e-04  5.0347000000e-03  1.2999000000e-03 -2.1839000000e-03 -3.7122000000e-03 -7.4150000000e-04 -3.6194000000e-03
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8903700000e-01 -5.5183200000e-01 -7.2675400000e-01 -6.0474000000e-01 -2.0579700000e-01  7.1286000000e-01 -1.8005400000e+00 -5.3752700000e-01  1.8302960000e+00 -1.7861160000e+00 -1.1428700000e-01  2.6887200000e+00 -2.5921960000e+00 -2.0130000000e-01  1.4102210000e+00
-ENERGY -1.526585066557e+02
-FORCES -1.2792400000e-02 -6.3865000000e-03  1.3881000000e-02 -1.0362000000e-03  1.6731000000e-03  2.6096000000e-03  4.4089000000e-03  3.0710000000e-03 -7.9416000000e-03  5.0426000000e-03  5.0023000000e-03 -5.1750000000e-03 -1.0628000000e-03 -1.7115000000e-03 -5.1787000000e-03  5.4400000000e-03 -1.6485000000e-03  1.8047000000e-03
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2404400000e-01 -2.1818000000e-02  2.4879400000e-01 -4.7331700000e-01 -1.0280600000e-01  8.2561100000e-01  2.8432530000e+00 -1.3591600000e-01  1.4065300000e-01  3.1110270000e+00 -7.9991700000e-01 -4.9466900000e-01  2.8793830000e+00  6.8857700000e-01 -3.4425700000e-01
-ENERGY -1.526615507649e+02
-FORCES  9.5862000000e-03 -1.9300000000e-03  3.9661000000e-03 -1.0445800000e-02  3.6212000000e-03 -2.0658000000e-03  2.5490000000e-03  1.7900000000e-04 -2.2451000000e-03  1.6932000000e-03 -7.4690000000e-04 -5.7109000000e-03 -9.4680000000e-04  3.9464000000e-03  3.0138000000e-03 -2.4358000000e-03 -5.0697000000e-03  3.0419000000e-03
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8909000000e-02 -9.5030200000e-01 -9.1703000000e-02  1.3982700000e-01  3.3725500000e-01 -8.8483900000e-01 -2.2676030000e+00  4.2402200000e-01  1.5601480000e+00 -1.6410860000e+00  4.6416600000e-01  8.3758500000e-01 -1.8400550000e+00 -1.2389800000e-01  2.2183410000e+00
-ENERGY -1.526596471527e+02
-FORCES -9.7160000000e-04 -2.7698000000e-03 -1.1479000000e-03 -4.0800000000e-04  5.1442000000e-03  6.0180000000e-04 -1.7364000000e-03 -2.1454000000e-03  4.6389000000e-03  1.3415200000e-02 -2.4941000000e-03 -5.4558000000e-03 -8.2774000000e-03  1.7930000000e-03  2.6777000000e-03 -2.0218000000e-03  4.7210000000e-04 -1.3148000000e-03
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6581400000e-01 -7.9766200000e-01  3.8229200000e-01 -9.4791900000e-01 -1.1367400000e-01  6.8987000000e-02  1.7749480000e+00  6.2944100000e-01 -1.9327110000e+00  9.5924100000e-01  4.8194100000e-01 -1.4540700000e+00  1.7349550000e+00  1.9003000000e-02 -2.6689160000e+00
-ENERGY -1.526598781578e+02
-FORCES  3.4618000000e-03 -2.1461000000e-03 -8.5180000000e-04 -3.6384000000e-03  3.5199000000e-03 -2.0757000000e-03  5.2080000000e-03 -4.0320000000e-04 -6.7750000000e-04 -1.0417500000e-02 -3.4120000000e-03  7.9014000000e-03  6.2275000000e-03  1.4341000000e-03 -7.5301000000e-03 -8.4150000000e-04  1.0073000000e-03  3.2336000000e-03
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1229200000e-01 -8.6208300000e-01  2.7480500000e-01 -5.0349900000e-01  1.9707700000e-01 -7.8986200000e-01 -1.9341080000e+00  4.4973600000e-01 -1.8205400000e+00 -1.9035630000e+00  1.3890150000e+00 -2.0023470000e+00 -1.8024600000e+00  3.5790000000e-02 -2.6735050000e+00
-ENERGY -1.526587708657e+02
-FORCES -1.4587400000e-02 -1.2100000000e-04 -1.0416400000e-02  1.3621000000e-03  1.7487000000e-03 -8.6430000000e-04  8.7272000000e-03  8.2890000000e-04  3.5721000000e-03  1.9972000000e-03  1.3841000000e-03  1.1208000000e-03  1.7496000000e-03 -6.1245000000e-03  9.4200000000e-04  7.5130000000e-04  2.2837000000e-03  5.6458000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3950500000e-01  8.0980000000e-03 -1.8302100000e-01 -4.1156800000e-01  1.5111600000e-01 -8.5088700000e-01  4.1449400000e-01 -2.5757660000e+00  2.9898400000e-01  1.3957000000e-02 -1.7065070000e+00  3.1277900000e-01 -3.0821800000e-01 -3.1759560000e+00  4.8253100000e-01
-ENERGY -1.526594461519e+02
-FORCES  4.8439000000e-03 -6.8359000000e-03 -3.6898000000e-03 -6.4294000000e-03 -1.2536000000e-03  9.2970000000e-04  2.2021000000e-03 -1.9250000000e-03  4.5137000000e-03 -5.0533000000e-03  1.6187600000e-02 -1.8960000000e-04  3.8689000000e-03 -1.0351000000e-02 -4.4680000000e-04  5.6780000000e-04  4.1779000000e-03 -1.1172000000e-03
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2679700000e-01  9.2563900000e-01 -8.9374000000e-02 -9.4014000000e-02 -3.5649500000e-01 -8.8334800000e-01 -2.1667990000e+00 -7.7592700000e-01  1.4855480000e+00 -1.9338670000e+00 -1.5886210000e+00  1.9344390000e+00 -1.4098310000e+00 -5.8158100000e-01  9.3286300000e-01
-ENERGY -1.526608728233e+02
-FORCES -2.7943000000e-03  2.2205000000e-03 -1.4253000000e-03  3.5600000000e-05 -6.2542000000e-03  3.0640000000e-04 -7.6190000000e-04  1.7930000000e-03  5.5528000000e-03  1.3703800000e-02  1.8851000000e-03 -6.3530000000e-03  3.5600000000e-05  2.1113000000e-03 -2.0898000000e-03 -1.0218800000e-02 -1.7557000000e-03  4.0089000000e-03
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1473600000e-01 -7.3261400000e-01  5.7740500000e-01 -9.4954500000e-01 -5.1062000000e-02 -1.0949500000e-01  2.3130000000e+00  6.8337900000e-01 -1.4631500000e+00  1.4361900000e+00  4.0472400000e-01 -1.1989780000e+00  2.5778870000e+00  4.5765000000e-02 -2.1261100000e+00
-ENERGY -1.526609245304e+02
-FORCES -7.7300000000e-04 -1.7000000000e-03  2.0277000000e-03 -2.1657000000e-03  3.1295000000e-03 -3.4463000000e-03  4.6379000000e-03 -6.5140000000e-04  1.1666000000e-03 -8.7831000000e-03 -3.2569000000e-03  2.9958000000e-03  8.7979000000e-03  1.1543000000e-03 -5.4135000000e-03 -1.7140000000e-03  1.3245000000e-03  2.6697000000e-03
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4012800000e-01 -1.0555500000e-01 -4.4640300000e-01  1.3905000000e-01  7.2964000000e-01  6.0375700000e-01 -1.8755720000e+00 -5.9116200000e-01 -1.8152140000e+00 -1.2498750000e+00 -2.7877300000e-01 -1.1616480000e+00 -1.8424180000e+00  6.4487000000e-02 -2.5118190000e+00
-ENERGY -1.526596878946e+02
-FORCES -2.3494000000e-03  1.6890000000e-04 -3.4821000000e-03 -4.9671000000e-03  2.0217000000e-03  2.1513000000e-03  8.3900000000e-04 -3.6973000000e-03 -3.6755000000e-03  9.9995000000e-03  5.5364000000e-03  1.0444200000e-02 -4.8198000000e-03 -2.6522000000e-03 -8.1248000000e-03  1.2978000000e-03 -1.3774000000e-03  2.6869000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2673900000e-01 -2.8661300000e-01  6.6429200000e-01 -2.7244100000e-01 -4.5270100000e-01 -7.9816600000e-01  3.4682500000e-01 -3.5913830000e+00 -7.5474300000e-01 -4.7872000000e-02 -4.4521890000e+00 -6.1524800000e-01  8.6612000000e-01 -3.4348180000e+00  3.3960000000e-02
-ENERGY -1.526566500041e+02
-FORCES -4.1053000000e-03 -4.0057000000e-03 -1.7952000000e-03  2.7452000000e-03  1.3607000000e-03 -1.8837000000e-03  9.1370000000e-04  3.8479000000e-03  3.5090000000e-03  1.7858000000e-03 -3.5174000000e-03  3.7900000000e-03  1.5313000000e-03  3.7806000000e-03 -3.3160000000e-04 -2.8708000000e-03 -1.4661000000e-03 -3.2885000000e-03
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7290600000e-01 -3.0887200000e-01 -8.8934400000e-01  9.4565800000e-01 -1.0015700000e-01  1.0922800000e-01 -1.8613290000e+00 -4.3768900000e-01  2.0408150000e+00 -1.7310860000e+00  1.1588500000e-01  2.8107670000e+00 -1.1980770000e+00 -1.4159900000e-01  1.4173900000e+00
-ENERGY -1.526612552429e+02
-FORCES -4.6980000000e-04 -3.4084000000e-03 -6.2180000000e-04  2.6306000000e-03  1.5498000000e-03  3.7845000000e-03 -4.3719000000e-03  5.5990000000e-04 -1.3435000000e-03  7.6997000000e-03  3.3199000000e-03 -7.0303000000e-03  9.6300000000e-04 -1.4601000000e-03 -2.8913000000e-03 -6.4516000000e-03 -5.6100000000e-04  8.1024000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0340400000e-01  2.6481300000e-01 -1.7311200000e-01  4.5827000000e-01  1.5611200000e-01 -8.2574200000e-01 -5.3648700000e-01  3.7771100000e+00 -1.5282400000e+00  4.1652000000e-01  3.6881020000e+00 -1.5375100000e+00 -7.3332500000e-01  4.3292390000e+00 -2.2849700000e+00
-ENERGY -1.526551832086e+02
-FORCES -2.7450000000e-03  2.7165000000e-03 -4.2344000000e-03  3.6582000000e-03 -2.3468000000e-03  1.0095000000e-03 -9.6530000000e-04 -8.6100000000e-04  3.3042000000e-03  3.3185000000e-03  3.1155000000e-03 -2.6447000000e-03 -4.1242000000e-03 -1.0680000000e-04 -5.7990000000e-04  8.5780000000e-04 -2.5174000000e-03  3.1452000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9949500000e-01  9.3981000000e-02 -5.1788700000e-01  7.0961900000e-01  1.4894600000e-01 -6.2489100000e-01  3.2025460000e+00 -4.6400400000e-01  1.0811470000e+00  3.1681930000e+00  4.2662700000e-01  7.3210700000e-01  3.1899040000e+00 -1.0260320000e+00  3.0642400000e-01
-ENERGY -1.526520817133e+02
-FORCES -5.7480000000e-04  8.1060000000e-04 -4.2857000000e-03  3.6894000000e-03 -5.7950000000e-04  2.5175000000e-03 -2.0746000000e-03 -3.2280000000e-04  2.1723000000e-03 -1.2001000000e-03  9.7600000000e-04 -3.1235000000e-03  1.3460000000e-04 -4.0095000000e-03  2.4780000000e-04  2.5500000000e-05  3.1251000000e-03  2.4714000000e-03
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3351600000e-01 -1.2951900000e-01 -1.6734800000e-01  1.2657900000e-01 -3.0121100000e-01  8.9971200000e-01  5.8116200000e-01  2.0197310000e+00 -1.7448630000e+00  6.8369500000e-01  1.3715720000e+00 -1.0480070000e+00 -3.5154000000e-02  1.6181580000e+00 -2.3573370000e+00
-ENERGY -1.526588185691e+02
-FORCES -2.4241000000e-03  3.5024000000e-03 -9.8500000000e-04  4.6930000000e-03 -1.0520000000e-04  8.4110000000e-04 -1.7480000000e-03  1.3533000000e-03 -4.3417000000e-03 -3.1904000000e-03 -1.1816700000e-02  7.5865000000e-03  2.1026000000e-03  5.7365000000e-03 -4.8902000000e-03  5.6680000000e-04  1.3296000000e-03  1.7894000000e-03
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4463700000e-01 -8.9299300000e-01  4.4580000000e-03  5.4410400000e-01  4.6405500000e-01 -6.3626800000e-01  1.9970740000e+00  1.1899490000e+00 -1.5402710000e+00  1.9213030000e+00  2.1416470000e+00 -1.4712670000e+00  2.6771040000e+00  9.5688900000e-01 -9.0823100000e-01
-ENERGY -1.526602641619e+02
-FORCES  9.6399000000e-03  3.1185000000e-03 -9.8484000000e-03  4.6800000000e-05  2.9150000000e-03  4.2870000000e-04 -6.6159000000e-03 -2.9871000000e-03  7.4979000000e-03  1.8366000000e-03  1.9229000000e-03  4.4317000000e-03 -1.8200000000e-04 -5.6187000000e-03  5.5610000000e-04 -4.7254000000e-03  6.4930000000e-04 -3.0659000000e-03
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0701900000e-01 -2.9938000000e-01 -4.1871600000e-01 -1.1908300000e-01 -5.9220400000e-01  7.4252700000e-01  2.2076610000e+00 -3.3498000000e-01 -1.9242100000e+00  3.1630610000e+00 -3.7544100000e-01 -1.8817210000e+00  2.0213320000e+00  5.0746600000e-01 -2.3386950000e+00
-ENERGY -1.526615656711e+02
-FORCES  6.2052000000e-03 -4.0473000000e-03 -2.8117000000e-03 -8.0217000000e-03  2.4696000000e-03  6.2980000000e-03  1.2663000000e-03  1.6083000000e-03 -2.5683000000e-03  3.1745000000e-03  3.8262000000e-03 -2.8398000000e-03 -4.3738000000e-03  5.8300000000e-04 -5.9140000000e-04  1.7495000000e-03 -4.4397000000e-03  2.5133000000e-03
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6735000000e-01  2.3026100000e-01 -3.3303900000e-01 -5.5343500000e-01 -4.0974000000e-02 -7.7991200000e-01  2.6710240000e+00  6.5105400000e-01  3.2166300000e-01  2.9875410000e+00  1.4702600000e+00  7.0238700000e-01  2.7903370000e+00  2.2180000000e-03  1.0152100000e+00
-ENERGY -1.526607147253e+02
-FORCES  8.4773000000e-03  3.0845000000e-03 -1.3672000000e-03 -9.2124000000e-03 -4.2620000000e-03 -1.6899000000e-03  3.5301000000e-03  1.0174000000e-03  2.0328000000e-03 -2.5610000000e-03  5.9780000000e-04  5.5166000000e-03 -5.1090000000e-04 -4.0600000000e-03 -9.9850000000e-04  2.7690000000e-04  3.6224000000e-03 -3.4938000000e-03
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9954500000e-01 -2.7597900000e-01  4.4810200000e-01  1.5179200000e-01 -6.7741800000e-01 -6.5901200000e-01 -2.7342960000e+00  1.9858200000e-01 -1.2774270000e+00 -3.4384170000e+00  7.5052200000e-01 -1.6177330000e+00 -2.3270490000e+00  7.2573500000e-01 -5.9004700000e-01
-ENERGY -1.526556827224e+02
-FORCES -3.1143000000e-03 -6.4981000000e-03 -3.9161000000e-03  1.1947000000e-03  5.1835000000e-03 -2.0617000000e-03  1.2636000000e-03  2.5522000000e-03  3.7036000000e-03  8.5560000000e-04  5.5110000000e-03  5.0720000000e-04  3.5239000000e-03 -1.8441000000e-03  1.4423000000e-03 -3.7234000000e-03 -4.9046000000e-03  3.2460000000e-04
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0633100000e-01 -9.8586000000e-02 -7.3408100000e-01  3.6986800000e-01 -5.4817600000e-01  6.9205000000e-01  5.2720900000e-01 -1.6588780000e+00  1.9344290000e+00  1.4497110000e+00 -1.5327670000e+00  2.1565080000e+00  5.1918000000e-02 -1.3850420000e+00  2.7188670000e+00
-ENERGY -1.526568441916e+02
-FORCES  3.5253000000e-03 -1.4341100000e-02  1.3699500000e-02 -2.3160000000e-04 -1.2574000000e-03  4.0580000000e-03  2.5378000000e-03  8.1061000000e-03 -6.2632000000e-03 -3.7611000000e-03  6.8743000000e-03 -3.1321000000e-03 -5.9650000000e-03  1.9533000000e-03 -4.0665000000e-03  3.8947000000e-03 -1.3352000000e-03 -4.2957000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5068000000e-02 -9.5492900000e-01  1.0422000000e-02 -7.2932600000e-01  2.8424100000e-01 -5.5092900000e-01  2.3116600000e-01  1.8613980000e+00  2.1073570000e+00  1.3421500000e-01  9.3702600000e-01  1.8785180000e+00 -4.4805000000e-02  2.3333620000e+00  1.3216580000e+00
-ENERGY -1.526572918597e+02
-FORCES -2.5713000000e-03 -1.0800000000e-04 -1.8273000000e-03 -2.6200000000e-05  5.1668000000e-03  1.1433000000e-03  3.7899000000e-03 -7.1580000000e-04  3.1237000000e-03 -7.6680000000e-04 -7.5415000000e-03 -1.1853900000e-02  1.1000000000e-06  2.1281000000e-03  6.9681000000e-03 -4.2670000000e-04  1.0704000000e-03  2.4461000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5892200000e-01 -5.2911100000e-01 -5.6910400000e-01  3.2822000000e-02 -4.4309400000e-01  8.4783400000e-01  3.6402900000e-01  2.6916680000e+00 -3.6049600000e-01  1.3000310000e+00  2.7848300000e+00 -5.3784700000e-01  2.2265600000e-01  1.7464290000e+00 -3.0789200000e-01
-ENERGY -1.526600329930e+02
-FORCES  1.9373000000e-03  2.0394000000e-03  2.3083000000e-03 -1.9587000000e-03  3.5696000000e-03  3.6163000000e-03  5.6030000000e-04  5.8800000000e-04 -5.1132000000e-03 -1.1410000000e-04 -1.3920000000e-02  2.2999000000e-03 -2.5175000000e-03 -1.4309000000e-03  3.1730000000e-04  2.0927000000e-03  9.1540000000e-03 -3.4287000000e-03
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9712300000e-01  1.7033700000e-01 -8.0005400000e-01 -4.2226200000e-01  5.4351400000e-01  6.6522100000e-01  1.3474840000e+00  1.2613750000e+00 -3.4843140000e+00  7.3237900000e-01  1.6230910000e+00 -4.1223100000e+00  2.2005610000e+00  1.3176780000e+00 -3.9148030000e+00
-ENERGY -1.526543018270e+02
-FORCES -2.8215000000e-03  3.4487000000e-03 -2.0290000000e-03  4.1280000000e-04 -1.2086000000e-03  4.4065000000e-03  1.6183000000e-03 -2.1858000000e-03 -2.4989000000e-03  2.4631000000e-03  1.6112000000e-03 -4.4353000000e-03  2.0435000000e-03 -1.6673000000e-03  3.1522000000e-03 -3.7161000000e-03  1.8000000000e-06  1.4047000000e-03
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5887000000e-02  9.2751100000e-01 -2.3601400000e-01 -8.0945600000e-01 -1.0666800000e-01  4.9963500000e-01  2.0210000000e+00 -2.6121600000e-01  1.7076530000e+00  1.8021510000e+00 -1.1887850000e+00  1.7968340000e+00  1.3410600000e+00  9.1683000000e-02  1.1337400000e+00
-ENERGY -1.526564400534e+02
-FORCES  1.8577000000e-03  1.7700000000e-05  4.9617000000e-03  2.3357000000e-03 -5.6920000000e-03  4.7533000000e-03  5.4747000000e-03  6.7060000000e-04 -2.1335000000e-03 -1.5311800000e-02 -2.5423000000e-03 -1.3728900000e-02  6.9850000000e-04  1.8563000000e-03  1.2986000000e-03  4.9453000000e-03  5.6898000000e-03  4.8488000000e-03
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9676500000e-01  8.1602500000e-01 -4.6002100000e-01 -6.0435400000e-01 -8.8090000000e-03  7.4223300000e-01 -2.5999600000e-01 -2.0473060000e+00 -1.6634020000e+00 -1.1567420000e+00 -1.9947240000e+00 -1.9940270000e+00 -1.9678800000e-01 -1.3352750000e+00 -1.0268100000e+00
-ENERGY -1.526588278866e+02
-FORCES -2.4810000000e-03 -3.2643000000e-03 -4.3861000000e-03 -3.9000000000e-04 -5.0956000000e-03  2.8456000000e-03  2.3624000000e-03  1.8760000000e-04 -5.4133000000e-03  5.7980000000e-04  1.4355100000e-02  1.1555100000e-02  2.3088000000e-03  1.3820000000e-03  1.8791000000e-03 -2.3799000000e-03 -7.5647000000e-03 -6.4804000000e-03
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9006000000e-01 -1.2835800000e-01 -5.2494000000e-01  8.7008000000e-02 -6.2353100000e-01  7.2102000000e-01 -3.7066000000e-02 -2.0672790000e+00  1.8958070000e+00  2.4340800000e-01 -2.7042360000e+00  1.2386520000e+00 -9.7126600000e-01 -2.2394500000e+00  2.0135310000e+00
-ENERGY -1.526601130686e+02
-FORCES  2.4877000000e-03 -8.1463000000e-03  9.3085000000e-03 -2.5139000000e-03 -1.3575000000e-03  2.1849000000e-03  7.2900000000e-05  5.7542000000e-03 -9.6977000000e-03 -4.2984000000e-03 -2.7720000000e-03 -2.8063000000e-03 -1.0753000000e-03  5.7180000000e-03  2.1503000000e-03  5.3270000000e-03  8.0360000000e-04 -1.1395000000e-03
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0919200000e-01 -1.7296500000e-01 -2.4430400000e-01  6.0065000000e-02  6.3204500000e-01  7.1634000000e-01  1.0704980000e+00 -3.1322410000e+00 -1.5292270000e+00  1.7037400000e+00 -3.0364540000e+00 -8.1784700000e-01  1.1958630000e+00 -2.3516450000e+00 -2.0688430000e+00
-ENERGY -1.526524049410e+02
-FORCES  3.4102000000e-03  1.9281000000e-03  2.4410000000e-03 -3.1061000000e-03  3.3670000000e-04  1.6080000000e-04 -2.5490000000e-04 -2.9712000000e-03 -3.0542000000e-03  1.5920000000e-03  3.2534000000e-03  7.7910000000e-04 -2.1928000000e-03  3.6800000000e-04 -3.1748000000e-03  5.5150000000e-04 -2.9150000000e-03  2.8479000000e-03
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4717300000e-01 -2.7639200000e-01  9.0453300000e-01 -2.1198000000e-02 -8.1245500000e-01 -5.0566700000e-01 -2.8701050000e+00  3.4110800000e-01 -7.3893500000e-01 -2.0024050000e+00  2.0554600000e-01 -3.5821000000e-01 -3.4737280000e+00  2.3831200000e-01 -3.2010000000e-03
-ENERGY -1.526587958195e+02
-FORCES  4.4495000000e-03 -4.7426000000e-03  1.0754000000e-03 -2.3570000000e-03  1.8687000000e-03 -5.6785000000e-03 -2.2418000000e-03  5.1781000000e-03  3.4286000000e-03  7.0625000000e-03  8.7740000000e-04  4.2417000000e-03 -1.0269100000e-02 -3.1118000000e-03 -1.2192000000e-03  3.3559000000e-03 -6.9700000000e-05 -1.8481000000e-03
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4499100000e-01 -8.0438000000e-02  1.2943300000e-01 -1.8473200000e-01 -5.4511800000e-01 -7.6482100000e-01 -4.8792800000e-01 -1.8038670000e+00 -2.0915570000e+00 -4.6785000000e-01 -2.7593590000e+00 -2.1450790000e+00 -3.0367000000e-02 -1.5097180000e+00 -2.8791780000e+00
-ENERGY -1.526603080396e+02
-FORCES -7.2500000000e-05 -9.1769000000e-03 -7.9758000000e-03 -2.5539000000e-03  1.0010000000e-04 -8.9960000000e-04  2.4273000000e-03  8.2930000000e-03  4.5467000000e-03  1.1231000000e-03 -2.3162000000e-03  9.3290000000e-04  5.2840000000e-04  4.5867000000e-03 -1.7396000000e-03 -1.4525000000e-03 -1.4867000000e-03  5.1354000000e-03
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9492900000e-01  8.9735000000e-02  3.2753700000e-01 -5.5052500000e-01  9.2200000000e-02  7.7759500000e-01  1.3742300000e-01 -3.0918420000e+00  1.4761810000e+00 -8.1865000000e-01 -3.0584940000e+00  1.4438780000e+00  3.7876000000e-01 -2.4317640000e+00  2.1260170000e+00
-ENERGY -1.526519281951e+02
-FORCES  2.3430000000e-03 -9.4050000000e-04  3.8839000000e-03 -3.9105000000e-03  3.6230000000e-04 -6.9770000000e-04  2.0398000000e-03 -9.5830000000e-04 -2.4946000000e-03 -3.4413000000e-03  3.8024000000e-03  3.8780000000e-04  3.7459000000e-03 -3.2950000000e-04  1.1790000000e-03 -7.7680000000e-04 -1.9364000000e-03 -2.2584000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9329300000e-01  7.4894200000e-01 -4.4792700000e-01  6.7772100000e-01 -3.0046800000e-01  6.0551200000e-01  9.5721700000e-01  1.9498000000e+00 -1.3867940000e+00  7.6755400000e-01  2.8878670000e+00 -1.3697650000e+00  1.7477020000e+00  1.8744440000e+00 -1.9212910000e+00
-ENERGY -1.526577957624e+02
-FORCES  7.9747000000e-03  1.5165700000e-02 -9.4046000000e-03 -1.8485000000e-03 -5.6160000000e-03  3.7869000000e-03 -5.4650000000e-04  1.9006000000e-03 -2.7235000000e-03 -4.4945000000e-03 -9.1547000000e-03  6.8021000000e-03  2.7214000000e-03 -4.5243000000e-03 -1.5024000000e-03 -3.8066000000e-03  2.2287000000e-03  3.0415000000e-03
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9414900000e-01  5.6206800000e-01 -7.1678900000e-01 -3.6610000000e-02 -8.8635700000e-01 -3.5953200000e-01  2.8101220000e+00  3.6929700000e-01 -9.3575000000e-02  3.3876510000e+00  5.5656400000e-01  6.4644100000e-01  1.9273240000e+00  4.1353000000e-01  2.7377200000e-01
-ENERGY -1.526615905148e+02
-FORCES  2.0010000000e-04 -2.3875000000e-03 -6.0684000000e-03  1.5355000000e-03 -2.9323000000e-03  3.5683000000e-03 -5.7080000000e-04  4.5492000000e-03  1.6380000000e-03 -8.5504000000e-03 -3.4650000000e-04  3.0345000000e-03 -3.4736000000e-03 -7.5840000000e-04 -1.7801000000e-03  1.0859000000e-02  1.8757000000e-03 -3.9240000000e-04
-
-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4433800000e-01 -3.9301000000e-02  1.5137000000e-01 -1.6897600000e-01 -6.8924700000e-01 -6.4235300000e-01  1.2759040000e+00  1.2945640000e+00 -3.2858130000e+00  1.6382990000e+00  4.0923700000e-01 -3.2526820000e+00  1.7432640000e+00  1.7710180000e+00 -2.5996660000e+00
-ENERGY -1.526530454621e+02
-FORCES  2.1317000000e-03 -2.8231000000e-03 -2.7709000000e-03 -3.4040000000e-03  5.4260000000e-04 -1.1484000000e-03  1.2733000000e-03  2.2199000000e-03  3.1658000000e-03  2.6885000000e-03 -7.7090000000e-04  3.7060000000e-03 -1.6939000000e-03  3.0775000000e-03  3.0440000000e-04 -9.9550000000e-04 -2.2460000000e-03 -3.2570000000e-03
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4983300000e-01 -9.0929700000e-01 -1.6429900000e-01 -2.8425100000e-01  4.7214100000e-01 -7.8263400000e-01 -1.9813520000e+00  4.8033600000e-01  1.9532660000e+00 -1.8165600000e+00  1.3995210000e+00  2.1634450000e+00 -1.2094550000e+00  2.0514300000e-01  1.4586190000e+00
-ENERGY -1.526601459475e+02
-FORCES -4.4084000000e-03  2.5490000000e-04 -4.2038000000e-03 -1.5960000000e-04  5.7382000000e-03  2.7290000000e-03  1.9199000000e-03 -2.7379000000e-03  3.5753000000e-03  1.0923800000e-02  1.4759000000e-03 -7.4188000000e-03 -8.5300000000e-04 -2.3702000000e-03 -1.0245000000e-03 -7.4227000000e-03 -2.3610000000e-03  6.3428000000e-03
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0545300000e-01  9.3110500000e-01  1.9533100000e-01 -9.4688400000e-01 -1.2706700000e-01 -5.9140000000e-02 -2.7844690000e+00 -4.8366900000e-01 -4.1139200000e-01 -2.9672410000e+00 -1.3800950000e+00 -1.2988600000e-01 -3.4854440000e+00 -2.7880900000e-01 -1.0301800000e+00
-ENERGY -1.526611914955e+02
-FORCES -1.0276200000e-02  1.7791000000e-03 -1.4505000000e-03 -5.6440000000e-04 -2.5643000000e-03 -8.7650000000e-04  9.0096000000e-03 -6.5480000000e-04  3.4632000000e-03 -9.8040000000e-04 -1.1196000000e-03 -2.7879000000e-03  9.2030000000e-04  4.7494000000e-03 -1.8209000000e-03  1.8910000000e-03 -2.1896000000e-03  3.4725000000e-03
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5372000000e-01 -2.2551400000e-01 -7.4750900000e-01 -1.2567300000e-01 -8.2776600000e-01  4.6394200000e-01 -2.3613800000e-01  2.8965680000e+00  1.3400000000e-02 -4.4994600000e-01  1.9858960000e+00  2.1636400000e-01 -3.8608100000e-01  3.3668070000e+00  8.3353700000e-01
-ENERGY -1.526608110629e+02
-FORCES  2.7434000000e-03 -2.4470000000e-03 -2.1419000000e-03 -2.7981000000e-03 -7.7050000000e-04  3.8784000000e-03  1.2097000000e-03  3.2964000000e-03 -2.4169000000e-03 -3.3430000000e-04 -7.3583000000e-03  3.1407000000e-03 -1.1436000000e-03  9.5520000000e-03 -1.7340000000e-04  3.2280000000e-04 -2.2727000000e-03 -2.2868000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6052700000e-01 -1.0449100000e-01 -6.8484900000e-01 -6.8137000000e-02 -7.9877600000e-01  5.2301600000e-01 -1.9837460000e+00 -6.9483900000e-01 -1.7789280000e+00 -1.6942840000e+00 -1.6030020000e+00 -1.8665890000e+00 -2.7280120000e+00 -7.3707200000e-01 -1.1784980000e+00
-ENERGY -1.526585834567e+02
-FORCES -1.1222300000e-02 -4.6630000000e-03 -9.5286000000e-03  6.9512000000e-03  7.2680000000e-04  7.7890000000e-03 -6.9480000000e-04  1.6601000000e-03 -2.2189000000e-03 -2.0190000000e-04 -3.0784000000e-03  3.2059000000e-03 -6.3730000000e-04  5.6164000000e-03  2.8923000000e-03  5.8052000000e-03 -2.6190000000e-04 -2.1397000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5101000000e-02  9.0923700000e-01  2.9814500000e-01 -8.4086500000e-01 -8.1885000000e-02 -4.4997000000e-01  3.7198480000e+00  4.0763700000e-01 -2.4765000000e-02  3.3089650000e+00  2.7235800000e-01 -8.7864200000e-01  3.4194980000e+00 -3.3034600000e-01  5.0570800000e-01
-ENERGY -1.526567548442e+02
-FORCES -4.0279000000e-03  3.8886000000e-03  1.1100000000e-05 -7.3990000000e-04 -4.1320000000e-03 -1.5188000000e-03  3.6286000000e-03  4.8660000000e-04  1.7404000000e-03 -4.4607000000e-03 -4.5194000000e-03 -1.4762000000e-03  2.9900000000e-03  1.2082000000e-03  2.7989000000e-03  2.6097000000e-03  3.0680000000e-03 -1.5554000000e-03
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2639000000e-02 -9.5114600000e-01 -6.8728000000e-02 -9.0658700000e-01  1.4311100000e-01  2.7175400000e-01  1.8626860000e+00  1.0159050000e+00  1.8510470000e+00  1.7357280000e+00  1.9628790000e+00  1.7931290000e+00  1.1768310000e+00  6.4732400000e-01  1.2942850000e+00
-ENERGY -1.526611431527e+02
-FORCES -1.6068000000e-03 -2.9570000000e-03  5.9550000000e-04 -9.8270000000e-04  5.3367000000e-03  1.1543000000e-03  5.3701000000e-03 -6.4350000000e-04 -7.2950000000e-04 -8.4601000000e-03 -1.7977000000e-03 -9.7397000000e-03 -4.3260000000e-04 -2.7415000000e-03  2.2500000000e-04  6.1121000000e-03  2.8030000000e-03  8.4945000000e-03
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5285700000e-01  8.7771000000e-02 -2.4309000000e-02 -1.5899200000e-01 -7.2317700000e-01  6.0660400000e-01  5.5019000000e-02  1.9193670000e+00  1.9646980000e+00 -1.4746100000e-01  2.8184300000e+00  1.7060120000e+00 -1.1110200000e-01  1.4000790000e+00  1.1779480000e+00
-ENERGY -1.526608346999e+02
-FORCES  3.7611000000e-03 -2.4922000000e-03  4.5240000000e-03 -6.2242000000e-03  1.3714000000e-03  1.4053000000e-03  1.1655000000e-03  4.9575000000e-03 -2.8830000000e-03 -3.0570000000e-03 -6.8830000000e-03 -1.0712100000e-02  7.7090000000e-04 -3.6147000000e-03 -8.8120000000e-04  3.5837000000e-03  6.6610000000e-03  8.5470000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2770800000e-01  9.2625100000e-01  8.0251000000e-02  2.6301000000e-01 -3.8508900000e-01  8.3592100000e-01 -2.8603450000e+00 -1.2019200000e-01 -1.8587000000e-01 -1.9078150000e+00 -1.9017800000e-01 -2.4928700000e-01 -3.1767310000e+00 -3.5305100000e-01 -1.0587440000e+00
-ENERGY -1.526622867981e+02
-FORCES  1.4672000000e-03  2.8512000000e-03  4.1924000000e-03 -8.4680000000e-04 -4.9522000000e-03 -1.7900000000e-05 -1.3818000000e-03  2.5208000000e-03 -4.1987000000e-03  1.0124000000e-02 -8.1090000000e-04 -2.0344000000e-03 -1.1322600000e-02 -4.8950000000e-04 -4.1650000000e-04  1.9600000000e-03  8.8060000000e-04  2.4753000000e-03
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6348000000e-02  9.5339200000e-01  8.3718000000e-02  2.2414900000e-01 -3.2147400000e-01  8.7329500000e-01 -2.8112280000e+00  1.5262000000e-01  7.3453000000e-02 -3.4258600000e+00 -1.3880900000e-01 -5.9999200000e-01 -1.9470900000e+00  1.5084000000e-02 -3.1459600000e-01
-ENERGY -1.526608951005e+02
-FORCES -3.6780000000e-04  1.7649000000e-03  6.7637000000e-03 -1.7155000000e-03 -5.4407000000e-03 -1.1237000000e-03  3.8600000000e-05  2.1513000000e-03 -4.2601000000e-03  8.5384000000e-03 -2.8168000000e-03 -2.5136000000e-03  3.6726000000e-03  5.8590000000e-04  1.6059000000e-03 -1.0166400000e-02  3.7554000000e-03 -4.7210000000e-04
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3573400000e-01 -8.9302300000e-01  3.1673100000e-01  2.4307000000e-01  5.5658100000e-01  7.3984200000e-01 -2.1388760000e+00  5.3540200000e-01 -1.9443490000e+00 -1.9939720000e+00 -6.4770000000e-02 -2.6758050000e+00 -1.3798470000e+00  4.0786100000e-01 -1.3752800000e+00
-ENERGY -1.526615510308e+02
-FORCES  2.0550000000e-04 -9.0840000000e-04  4.2521000000e-03  2.0900000000e-05  4.3981000000e-03 -1.0198000000e-03 -5.7310000000e-04 -3.6330000000e-03 -2.8065000000e-03  7.7435000000e-03 -2.9086000000e-03  4.0972000000e-03 -2.6520000000e-04  1.3132000000e-03  2.6288000000e-03 -7.1314000000e-03  1.7387000000e-03 -7.1518000000e-03
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5837800000e-01  5.9850300000e-01 -5.8984300000e-01  5.6269500000e-01 -5.3454000000e-02  7.7249500000e-01 -2.7871700000e+00  1.6912900000e-01 -5.2515000000e-02 -2.6890030000e+00  9.0906200000e-01 -6.5175900000e-01 -1.9755510000e+00  1.6192000000e-01  4.5488400000e-01
-ENERGY -1.526567081835e+02
-FORCES  1.2677000000e-03  1.7447000000e-03 -2.5579000000e-03 -2.2120000000e-03 -2.6431000000e-03  3.2374000000e-03 -4.5123000000e-03  7.6660000000e-04 -3.4533000000e-03  1.3730300000e-02  1.4188000000e-03 -1.6716000000e-03 -1.2285000000e-03 -1.6486000000e-03  1.0128000000e-03 -7.0453000000e-03  3.6150000000e-04  3.4326000000e-03
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4288000000e-01  6.5305000000e-02 -1.5147400000e-01  7.9875000000e-02 -5.3907800000e-01  7.8692200000e-01  1.5718180000e+00 -3.6147100000e-01 -2.3559270000e+00  9.1845500000e-01 -1.6090800000e-01 -1.6857610000e+00  1.4368540000e+00  3.0489200000e-01 -3.0297060000e+00
-ENERGY -1.526607385857e+02
-FORCES -3.1000000000e-04 -3.5367000000e-03  2.9833000000e-03  5.1657000000e-03 -4.8490000000e-04 -1.9070000000e-04 -2.1716000000e-03  3.1171000000e-03 -3.0403000000e-03 -5.2411000000e-03  3.1160000000e-03  7.6209000000e-03  3.3638000000e-03 -3.6490000000e-04 -1.0241900000e-02 -8.0680000000e-04 -1.8466000000e-03  2.8687000000e-03
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6934700000e-01  1.5291900000e-01  3.7024700000e-01 -6.0540000000e-01  2.4625200000e-01  6.9934400000e-01  1.1910450000e+00 -1.3511130000e+00 -2.9093260000e+00  3.1039500000e-01 -1.0085230000e+00 -2.7566190000e+00  1.6727050000e+00 -1.1400050000e+00 -2.1095330000e+00
-ENERGY -1.526567902786e+02
-FORCES  3.1000000000e-06  2.1489000000e-03  5.9432000000e-03 -3.3029000000e-03 -1.2979000000e-03 -2.5912000000e-03  2.8354000000e-03 -9.0060000000e-04 -2.8649000000e-03 -3.5707000000e-03  2.9917000000e-03  6.0504000000e-03  3.4426000000e-03 -2.0635000000e-03 -3.4178000000e-03  5.9260000000e-04 -8.7850000000e-04 -3.1198000000e-03
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4294500000e-01 -3.6191500000e-01  4.8299400000e-01 -7.5807000000e-02  9.4695000000e-01  1.1734900000e-01  8.3951200000e-01 -1.9498460000e+00 -1.7566990000e+00  7.0487000000e-01 -1.1882690000e+00 -1.1926910000e+00  1.7814310000e+00 -2.1152200000e+00 -1.7158290000e+00
-ENERGY -1.526613951845e+02
-FORCES -1.8458000000e-03 -1.3311000000e-03 -1.5713000000e-03  3.5140000000e-03  3.3567000000e-03 -1.8973000000e-03 -7.1700000000e-04 -4.5599000000e-03  7.9740000000e-04 -9.0890000000e-04  8.8409000000e-03  7.2831000000e-03  2.7093000000e-03 -7.7865000000e-03 -5.0633000000e-03 -2.7516000000e-03  1.4799000000e-03  4.5140000000e-04
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3559800000e-01  9.4665300000e-01  4.1157000000e-02 -8.0526400000e-01 -1.4886300000e-01  4.9560200000e-01 -2.3104610000e+00 -1.9801000000e-02  1.6298940000e+00 -3.2290660000e+00 -2.3641300000e-01  1.7895030000e+00 -2.0680880000e+00  5.5044000000e-01  2.3594910000e+00
-ENERGY -1.526602389625e+02
-FORCES -9.7670000000e-03  1.7905000000e-03  4.8575000000e-03 -1.6450000000e-04 -2.5852000000e-03  7.4090000000e-04  8.1982000000e-03  1.0475000000e-03 -3.0809000000e-03 -9.6740000000e-04  1.3400000000e-05  7.2480000000e-04  4.1609000000e-03  2.1285000000e-03  9.7530000000e-04 -1.4603000000e-03 -2.3947000000e-03 -4.2176000000e-03
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4877900000e-01 -5.9166900000e-01  7.1011800000e-01 -4.7103400000e-01  8.1182100000e-01  1.8789900000e-01 -7.3393000000e-01 -1.7195750000e+00  2.0895140000e+00 -1.6111250000e+00 -1.4307940000e+00  2.3412420000e+00 -8.6491300000e-01 -2.5946680000e+00  1.7244270000e+00
-ENERGY -1.526604237548e+02
-FORCES -3.4239000000e-03 -6.1089000000e-03  1.1331500000e-02  8.6910000000e-04  6.3944000000e-03 -9.2001000000e-03  5.2450000000e-04 -3.0022000000e-03  2.4490000000e-04 -3.1169000000e-03 -2.1045000000e-03 -1.2446000000e-03  4.9368000000e-03 -6.2220000000e-04 -2.7579000000e-03  2.1040000000e-04  5.4434000000e-03  1.6262000000e-03
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1226000000e-02  9.0303600000e-01  3.1146300000e-01 -1.2823600000e-01 -5.3357700000e-01  7.8427200000e-01  1.9276180000e+00 -4.9489600000e-01 -1.9298930000e+00  2.7245350000e+00 -2.4211200000e-01 -1.4637860000e+00  1.2484350000e+00 -5.0600000000e-01 -1.2554910000e+00
-ENERGY -1.526603927739e+02
-FORCES  1.7888000000e-03  2.5473000000e-03  9.8700000000e-05  3.5000000000e-05 -5.0698000000e-03  1.5880000000e-04  1.4223000000e-03  3.3438000000e-03 -3.7600000000e-03 -7.3937000000e-03  2.8483000000e-03  1.0729400000e-02 -2.3316000000e-03 -3.8770000000e-04 -9.8880000000e-04  6.4791000000e-03 -3.2818000000e-03 -6.2381000000e-03
-
-JOB 180
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6138900000e-01  2.3800400000e-01  5.2902900000e-01 -8.7733000000e-02  7.1544200000e-01 -6.2982300000e-01 -6.4294700000e-01  2.0865740000e+00 -1.5492130000e+00 -1.5776470000e+00  2.1254540000e+00 -1.7518350000e+00 -4.9816400000e-01  2.8137640000e+00 -9.4385000000e-01
-ENERGY -1.526591102004e+02
-FORCES -2.4067000000e-03  1.2527200000e-02 -1.0361900000e-02 -2.7360000000e-03  1.5940000000e-03 -2.2392000000e-03  3.7753000000e-03 -6.3635000000e-03  7.6843000000e-03 -3.3716000000e-03 -3.8313000000e-03  6.0122000000e-03  4.9703000000e-03  1.1728000000e-03  1.2875000000e-03 -2.3130000000e-04 -5.0992000000e-03 -2.3829000000e-03
-
-JOB 181
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6411700000e-01 -5.9637800000e-01 -7.0057700000e-01 -7.0343600000e-01 -6.2342000000e-02  6.4616000000e-01 -1.5351900000e-01 -1.5743190000e+00 -2.1590260000e+00  7.6656900000e-01 -1.4108950000e+00 -2.3663010000e+00 -1.8306100000e-01 -2.4981620000e+00 -1.9102860000e+00
-ENERGY -1.526600844613e+02
-FORCES -3.6943000000e-03 -8.8453000000e-03 -1.2430400000e-02  2.3636000000e-03  5.4009000000e-03  9.7277000000e-03  1.4367000000e-03 -1.8212000000e-03 -3.2689000000e-03  5.3494000000e-03  1.1197000000e-03  3.9190000000e-03 -5.6437000000e-03 -1.4254000000e-03  2.0681000000e-03  1.8830000000e-04  5.5713000000e-03 -1.5500000000e-05
-
-JOB 182
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5431600000e-01  6.3400900000e-01  7.0032200000e-01 -1.7983000000e-01 -8.2219300000e-01  4.5595100000e-01  3.7997100000e-01  1.4976630000e+00  2.0950020000e+00  1.1066900000e-01  2.3253600000e+00  1.6967230000e+00  1.3329840000e+00  1.4874520000e+00  2.0061600000e+00
-ENERGY -1.526556631577e+02
-FORCES  8.6900000000e-04  1.0227600000e-02  2.1340500000e-02  2.9374000000e-03  8.6000000000e-04 -9.1965000000e-03  1.0802000000e-03  1.8547000000e-03 -1.0403000000e-03  3.2580000000e-04 -3.2967000000e-03 -7.3844000000e-03  2.0668000000e-03 -7.9785000000e-03 -9.2510000000e-04 -7.2793000000e-03 -1.6671000000e-03 -2.7942000000e-03
-
-JOB 183
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1625600000e-01 -1.0783500000e-01 -4.8819000000e-01 -6.8633000000e-01 -5.4292000000e-02 -6.6500800000e-01 -2.9901730000e+00  6.4774800000e-01  1.1349980000e+00 -2.7019110000e+00 -2.5439200000e-01  9.9614500000e-01 -3.7842510000e+00  5.6732100000e-01  1.6633950000e+00
-ENERGY -1.526544132976e+02
-FORCES  9.3370000000e-04  1.1533000000e-03 -5.2093000000e-03 -3.4331000000e-03  7.0820000000e-04  2.1187000000e-03  2.7448000000e-03 -2.0198000000e-03  3.5250000000e-03 -9.2750000000e-04 -4.1570000000e-03  3.1477000000e-03 -2.7575000000e-03  3.8880000000e-03 -1.5526000000e-03  3.4396000000e-03  4.2730000000e-04 -2.0296000000e-03
-
-JOB 184
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3723700000e-01 -3.7247900000e-01  2.7663200000e-01  6.0224600000e-01 -2.0603200000e-01  7.1490100000e-01 -2.8562690000e+00 -6.3412900000e-01  2.1194300000e-01 -2.9132350000e+00  3.1470500000e-01  9.9251000000e-02 -3.0860250000e+00 -9.9188100000e-01 -6.4564600000e-01
-ENERGY -1.526616236194e+02
-FORCES -6.1780000000e-03 -4.4412000000e-03  3.4784000000e-03  9.3444000000e-03  5.2421000000e-03 -1.3379000000e-03 -2.9205000000e-03  3.3350000000e-04 -2.0155000000e-03 -3.5267000000e-03  2.5030000000e-03 -5.3119000000e-03  2.1351000000e-03 -5.7620000000e-03  8.7050000000e-04  1.1458000000e-03  2.1245000000e-03  4.3164000000e-03
-
-JOB 185
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4909800000e-01 -7.9680000000e-01  4.6828700000e-01 -2.7717600000e-01  7.1305400000e-01  5.7529100000e-01 -5.4801400000e-01  1.9671950000e+00  1.8599500000e+00 -1.4086710000e+00  1.6316110000e+00  2.1107170000e+00  1.7835000000e-02  1.7552610000e+00  2.6023320000e+00
-ENERGY -1.526586145229e+02
-FORCES -2.6990000000e-03  9.6555000000e-03  1.0333100000e-02  2.5020000000e-04  3.3853000000e-03 -1.1580000000e-04 -1.1781000000e-03 -9.3620000000e-03 -5.7537000000e-03  1.4274000000e-03 -2.7039000000e-03  2.9381000000e-03  6.2619000000e-03 -1.1500000000e-03 -3.4074000000e-03 -4.0623000000e-03  1.7510000000e-04 -3.9944000000e-03
-
-JOB 186
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6504800000e-01  8.7178900000e-01 -1.5151000000e-01  9.4466700000e-01  1.4242200000e-01  5.9595000000e-02 -1.8632670000e+00 -8.2495000000e-01  1.8208420000e+00 -2.0792750000e+00 -1.7574210000e+00  1.8125340000e+00 -1.2420220000e+00 -7.1609500000e-01  1.1008160000e+00
-ENERGY -1.526609090351e+02
-FORCES  1.0160000000e-04  1.8454000000e-03  4.7054000000e-03  2.2593000000e-03 -4.9891000000e-03  1.2743000000e-03 -4.3647000000e-03  8.0830000000e-04 -1.4819000000e-03  9.1936000000e-03  8.3690000000e-04 -8.3238000000e-03  1.9120000000e-03  2.6800000000e-03 -8.2300000000e-04 -9.1018000000e-03 -1.1815000000e-03  4.6490000000e-03
-
-JOB 187
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0247700000e-01 -3.1450200000e-01 -6.7404900000e-01 -2.4150000000e-03 -6.9187800000e-01  6.6146100000e-01  1.2482300000e-01 -1.9548260000e+00  1.9742140000e+00  1.0549200000e+00 -2.0799790000e+00  2.1626000000e+00 -2.7414400000e-01 -1.7965030000e+00  2.8297780000e+00
-ENERGY -1.526608815583e+02
-FORCES  6.5920000000e-04 -1.0795000000e-02  7.7309000000e-03 -9.9830000000e-04  2.7550000000e-04  2.8976000000e-03  1.0330000000e-03  7.5589000000e-03 -7.5490000000e-03  1.2249000000e-03  2.9729000000e-03  2.2910000000e-03 -4.9624000000e-03  1.1555000000e-03 -1.4041000000e-03  3.0435000000e-03 -1.1677000000e-03 -3.9665000000e-03
-
-JOB 188
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2382900000e-01  1.8823100000e-01  1.6535100000e-01  2.1708400000e-01  5.2298300000e-01 -7.7174800000e-01 -2.8275690000e+00 -5.1231100000e-01  2.4360800000e-01 -3.4804860000e+00 -5.2067900000e-01  9.4350900000e-01 -3.1262400000e+00  1.7226800000e-01 -3.5504000000e-01
-ENERGY -1.526573144616e+02
-FORCES -8.3153000000e-03 -1.0210000000e-03 -1.9200000000e-05  7.6736000000e-03  4.9381000000e-03 -3.2151000000e-03 -2.3741000000e-03 -1.6942000000e-03  2.5116000000e-03 -4.6039000000e-03 -1.9730000000e-04  9.2170000000e-04  2.8541000000e-03  1.8420000000e-04 -4.0893000000e-03  4.7657000000e-03 -2.2098000000e-03  3.8903000000e-03
-
-JOB 189
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1780000000e-02 -9.1819400000e-01  2.6076800000e-01  4.9265000000e-02  4.8095300000e-01  8.2612900000e-01 -1.9044900000e-01 -2.6775690000e+00 -5.0062000000e-01 -9.7700300000e-01 -2.6721850000e+00 -1.0460880000e+00  4.9042000000e-01 -3.0439540000e+00 -1.0649010000e+00
-ENERGY -1.526604095780e+02
-FORCES  8.2000000000e-05 -1.0280200000e-02 -6.1300000000e-05 -1.0877000000e-03  9.9684000000e-03  3.1105000000e-03 -1.6950000000e-04 -3.8184000000e-03 -2.2938000000e-03  1.1112000000e-03  4.1467000000e-03 -5.3371000000e-03  3.9727000000e-03 -6.3030000000e-04  2.6580000000e-03 -3.9087000000e-03  6.1380000000e-04  1.9237000000e-03
-
-JOB 190
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7773300000e-01 -3.3279200000e-01 -6.8680900000e-01 -3.9031000000e-02  9.4366000000e-01 -1.5561200000e-01 -8.6116300000e-01 -1.9946130000e+00  1.5323130000e+00 -1.7952090000e+00 -1.8939030000e+00  1.7157460000e+00 -5.7654500000e-01 -1.1248390000e+00  1.2517460000e+00
-ENERGY -1.526592814932e+02
-FORCES -4.4420000000e-04 -6.2276000000e-03  1.3172000000e-03 -2.4318000000e-03  4.0700000000e-03  2.5984000000e-03  2.0660000000e-04 -4.8991000000e-03 -3.1770000000e-04  2.0929000000e-03  1.1883900000e-02 -8.1024000000e-03  2.7283000000e-03  8.2800000000e-04 -7.7000000000e-04 -2.1519000000e-03 -5.6551000000e-03  5.2745000000e-03
-
-JOB 191
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1981500000e-01  8.1067100000e-01  4.5904900000e-01 -2.4038000000e-01 -6.9530500000e-01  6.1237200000e-01 -4.5175300000e-01  2.2417320000e+00  1.7894700000e+00 -4.1034700000e-01  3.1651040000e+00  1.5406680000e+00 -1.3299930000e+00  2.1304310000e+00  2.1535300000e+00
-ENERGY -1.526606954861e+02
-FORCES -1.0826000000e-03  6.7257000000e-03  8.7057000000e-03 -4.5780000000e-04 -7.7953000000e-03 -6.6814000000e-03  9.0000000000e-06  2.0913000000e-03 -1.7737000000e-03 -2.1252000000e-03  3.8587000000e-03  9.3980000000e-04 -9.8000000000e-04 -4.7016000000e-03  1.5383000000e-03  4.6367000000e-03 -1.7880000000e-04 -2.7287000000e-03
-
-JOB 192
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9773700000e-01  7.4640100000e-01 -5.6570100000e-01  6.1733900000e-01  7.9804000000e-02  7.2715600000e-01 -1.3583240000e+00 -1.1450440000e+00  2.8360210000e+00 -2.2212480000e+00 -1.5194080000e+00  3.0133520000e+00 -9.7482500000e-01 -1.7264360000e+00  2.1794070000e+00
-ENERGY -1.526554012435e+02
-FORCES  2.5289000000e-03  4.8415000000e-03  1.5856000000e-03 -7.4210000000e-04 -2.8838000000e-03  2.2848000000e-03 -1.7783000000e-03 -1.6862000000e-03 -3.9974000000e-03 -2.9283000000e-03 -3.3385000000e-03 -4.0730000000e-03  3.2978000000e-03  1.3119000000e-03 -4.1130000000e-04 -3.7800000000e-04  1.7551000000e-03  4.6113000000e-03
-
-JOB 193
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9812300000e-01 -3.5323000000e-02  3.2917900000e-01 -5.4521500000e-01 -1.3286400000e-01  7.7544800000e-01 -1.9257750000e+00  1.1920900000e-01  1.7529960000e+00 -2.1104960000e+00 -4.7132900000e-01  2.4833210000e+00 -2.6344970000e+00 -4.0793000000e-02  1.1298230000e+00
-ENERGY -1.526586405294e+02
-FORCES -1.1361500000e-02  1.5616000000e-03  1.3701000000e-02 -3.6811000000e-03 -3.1140000000e-04  1.3127000000e-03  6.2508000000e-03 -2.3778000000e-03 -7.6155000000e-03  2.4438000000e-03 -1.1702000000e-03 -7.0048000000e-03  1.6973000000e-03  2.6417000000e-03 -4.7120000000e-03  4.6507000000e-03 -3.4400000000e-04  4.3186000000e-03
-
-JOB 194
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5467200000e-01  5.9118000000e-01  7.3675900000e-01 -7.4357200000e-01  3.8449800000e-01 -4.6421300000e-01  1.5532030000e+00  2.4487200000e-01 -2.2096730000e+00  1.2276530000e+00 -5.4359500000e-01 -2.6439170000e+00  1.2503190000e+00  1.6321700000e-01 -1.3053360000e+00
-ENERGY -1.526598200310e+02
-FORCES -1.0050000000e-03  3.9386000000e-03 -4.1148000000e-03 -2.8710000000e-04 -2.3794000000e-03 -5.0973000000e-03  4.4873000000e-03 -2.1784000000e-03  2.6843000000e-03 -8.1483000000e-03 -5.1372000000e-03  1.3074600000e-02 -5.5500000000e-05  2.6895000000e-03  9.2570000000e-04  5.0086000000e-03  3.0670000000e-03 -7.4724000000e-03
-
-JOB 195
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3050000000e-01 -8.9279600000e-01  9.9579000000e-02  5.1166800000e-01  5.1618500000e-01  6.2288100000e-01  1.0166230000e+00  1.9936390000e+00  1.4449040000e+00  4.2538900000e-01  2.1695510000e+00  2.1768390000e+00  8.0589800000e-01  2.6677400000e+00  7.9882700000e-01
-ENERGY -1.526606606581e+02
-FORCES  7.3927000000e-03  1.0038800000e-02  8.8769000000e-03  1.9000000000e-04  3.8627000000e-03  1.6710000000e-03 -4.7796000000e-03 -8.2059000000e-03 -6.0924000000e-03 -6.2954000000e-03 -8.4450000000e-04 -4.4136000000e-03  2.7666000000e-03 -1.1533000000e-03 -4.2896000000e-03  7.2570000000e-04 -3.6978000000e-03  4.2478000000e-03
-
-JOB 196
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3722000000e-01  2.2405300000e-01  6.7822000000e-01  8.4912100000e-01  6.8237000000e-02  4.3654300000e-01 -1.0093120000e+00  2.0708960000e+00 -1.5060180000e+00 -1.9225240000e+00  1.7851580000e+00 -1.4809260000e+00 -5.1854200000e-01  1.3392000000e+00 -1.1318570000e+00
-ENERGY -1.526596798836e+02
-FORCES -2.5710000000e-04  4.0539000000e-03  2.9670000000e-03  2.9947000000e-03 -3.0090000000e-04 -5.0614000000e-03 -4.8965000000e-03  5.9300000000e-05 -1.7736000000e-03  4.3087000000e-03 -1.2602000000e-02  5.5487000000e-03  2.7258000000e-03  5.7530000000e-04  1.4998000000e-03 -4.8756000000e-03  8.2144000000e-03 -3.1805000000e-03
-
-JOB 197
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9062800000e-01 -1.9970100000e-01  5.0125800000e-01  7.1096100000e-01 -3.9230100000e-01  5.0681900000e-01 -2.8143460000e+00  2.8597800000e-01 -1.0646000000e-02 -2.7331200000e+00  1.2184800000e+00 -2.1082900000e-01 -2.8486110000e+00 -1.4112900000e-01 -8.6658900000e-01
-ENERGY -1.526604659304e+02
-FORCES -6.3532000000e-03 -8.4350000000e-04  3.0706000000e-03  9.5536000000e-03 -9.6290000000e-04 -7.6560000000e-04 -4.1900000000e-03  1.0845000000e-03 -1.0886000000e-03  2.5171000000e-03  3.3099000000e-03 -6.6407000000e-03 -1.1622000000e-03 -4.3109000000e-03  1.1271000000e-03 -3.6530000000e-04  1.7229000000e-03  4.2973000000e-03
-
-JOB 198
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0014400000e-01 -8.8707700000e-01  2.9878000000e-01 -6.7386200000e-01  1.9127700000e-01 -6.5234600000e-01 -1.7561020000e+00  7.9865800000e-01 -2.1194940000e+00 -2.5420780000e+00  5.9767800000e-01 -1.6114780000e+00 -1.6011450000e+00  1.2416000000e-02 -2.6429860000e+00
-ENERGY -1.526580441277e+02
-FORCES -6.4130000000e-03  2.4774000000e-03 -7.5775000000e-03 -8.0620000000e-04  3.2306000000e-03 -2.5855000000e-03  3.2692000000e-03 -6.7317000000e-03  8.4012000000e-03 -3.2246000000e-03 -1.8374000000e-03 -3.2821000000e-03  7.3509000000e-03 -6.6010000000e-04 -5.6990000000e-04 -1.7620000000e-04  3.5213000000e-03  5.6138000000e-03
-
-JOB 199
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3172900000e-01 -1.2690100000e-01 -1.7891200000e-01 -2.4539100000e-01  7.5748500000e-01 -5.3125500000e-01 -5.1794300000e-01 -2.1558460000e+00 -1.6537090000e+00 -5.4661900000e-01 -1.4834860000e+00 -9.7301700000e-01 -9.3249200000e-01 -1.7463610000e+00 -2.4131190000e+00
-ENERGY -1.526595699044e+02
-FORCES  3.9774000000e-03  5.0050000000e-04 -4.8774000000e-03 -6.0362000000e-03  4.9260000000e-04  3.4610000000e-04  9.3330000000e-04 -5.1570000000e-03  1.4581000000e-03 -6.4960000000e-04  1.1777900000e-02  7.7180000000e-03  7.9100000000e-05 -7.5889000000e-03 -7.2772000000e-03  1.6960000000e-03 -2.5100000000e-05  2.6323000000e-03
-
-JOB 200
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9400000000e-04 -8.8874200000e-01  3.5548300000e-01 -2.4122000000e-02  5.6681700000e-01  7.7095300000e-01 -5.6371700000e-01  1.8100650000e+00  2.1880230000e+00 -1.2995460000e+00  1.2873160000e+00  2.5066470000e+00  1.7469300000e-01  1.5440850000e+00  2.7359620000e+00
-ENERGY -1.526584020471e+02
-FORCES -1.8141000000e-03  5.6440000000e-03  8.0337000000e-03 -4.6900000000e-04  3.8294000000e-03  3.1170000000e-04  3.4480000000e-03 -9.2302000000e-03 -4.8498000000e-03 -2.6774000000e-03 -3.7920000000e-04  4.8093000000e-03  5.4096000000e-03  1.3518000000e-03 -2.4246000000e-03 -3.8971000000e-03 -1.2157000000e-03 -5.8804000000e-03
-
-JOB 201
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6150200000e-01 -3.5280100000e-01 -6.9027400000e-01  2.9931100000e-01 -4.3480400000e-01  7.9849200000e-01  7.5766700000e-01 -1.4287720000e+00  2.1487280000e+00  1.6657910000e+00 -1.2733740000e+00  2.4083310000e+00  2.4369300000e-01 -1.1942840000e+00  2.9214360000e+00
-ENERGY -1.526597938645e+02
-FORCES  5.7091000000e-03 -1.1182400000e-02  1.1969700000e-02 -5.9630000000e-04  8.2570000000e-04  2.5469000000e-03 -2.4551000000e-03  7.1044000000e-03 -6.8290000000e-03 -9.8980000000e-04  3.9053000000e-03 -1.2240000000e-03 -5.3313000000e-03 -1.9950000000e-04 -1.8961000000e-03  3.6633000000e-03 -4.5360000000e-04 -4.5675000000e-03
-
-JOB 202
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6268400000e-01  2.3566000000e-02 -6.9030900000e-01  3.2677500000e-01 -6.4778700000e-01  6.2435700000e-01 -2.7103180000e+00  3.5442700000e-01 -6.2358700000e-01 -1.8189320000e+00  1.3282400000e-01 -8.9294700000e-01 -3.2054550000e+00  3.9394600000e-01 -1.4418220000e+00
-ENERGY -1.526580141601e+02
-FORCES  1.9631000000e-03 -2.4692000000e-03  3.3547000000e-03 -5.2009000000e-03 -5.2840000000e-04  2.2203000000e-03 -1.1620000000e-04  3.3733000000e-03 -3.3424000000e-03  7.8843000000e-03 -1.2951000000e-03  4.2810000000e-04 -8.1829000000e-03  1.2867000000e-03 -5.1254000000e-03  3.6527000000e-03 -3.6730000000e-04  2.4647000000e-03
-
-JOB 203
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8350400000e-01 -4.8754500000e-01 -7.7340700000e-01 -3.4361000000e-02 -6.3862000000e-01  7.1219100000e-01 -2.8325000000e-01  2.3188850000e+00  1.7188250000e+00 -1.1522100000e+00  2.3529410000e+00  2.1188010000e+00 -3.7192500000e-01  1.6865830000e+00  1.0056890000e+00
-ENERGY -1.526608250174e+02
-FORCES  1.1550000000e-04 -4.2636000000e-03 -4.0260000000e-04  1.3984000000e-03  1.1828000000e-03  4.2955000000e-03 -1.1290000000e-03  3.3260000000e-03 -4.0929000000e-03 -2.0373000000e-03 -5.5247000000e-03 -6.0594000000e-03  2.8342000000e-03 -1.0750000000e-03 -1.4327000000e-03 -1.1817000000e-03  6.3545000000e-03  7.6921000000e-03
-
-JOB 204
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1369300000e-01 -9.0108300000e-01  2.4210900000e-01  5.2553600000e-01  5.3852900000e-01  5.9163300000e-01  2.8827070000e+00 -8.8128000000e-02 -6.1839200000e-01  2.6258010000e+00  6.5286400000e-01 -6.9610000000e-02  2.2914860000e+00 -4.6456000000e-02 -1.3700250000e+00
-ENERGY -1.526538729759e+02
-FORCES  6.9507000000e-03 -4.0556000000e-03  4.1723000000e-03 -2.6266000000e-03  3.7476000000e-03 -1.2925000000e-03  3.9780000000e-04  8.6900000000e-05 -3.5935000000e-03 -8.9642000000e-03  3.8693000000e-03 -2.2112000000e-03 -6.2790000000e-04 -2.7176000000e-03  1.0601000000e-03  4.8702000000e-03 -9.3060000000e-04  1.8649000000e-03
-
-JOB 205
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2683900000e-01  2.4426600000e-01 -4.1581600000e-01 -6.4402600000e-01  3.5651000000e-02 -7.0724200000e-01 -3.8881940000e+00  2.2176900000e-01 -4.5455200000e-01 -3.5732130000e+00 -5.1745500000e-01  6.5608000000e-02 -3.7267690000e+00  9.8834200000e-01  9.5484000000e-02
-ENERGY -1.526566863385e+02
-FORCES  1.0911000000e-03  1.1827000000e-03 -5.1993000000e-03 -3.3673000000e-03 -9.1190000000e-04  1.6087000000e-03  3.6267000000e-03 -4.7310000000e-04  3.8796000000e-03  4.4270000000e-04  1.3460000000e-04  5.7658000000e-03 -1.0873000000e-03  3.2272000000e-03 -3.1456000000e-03 -7.0580000000e-04 -3.1595000000e-03 -2.9091000000e-03
-
-JOB 206
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2040800000e-01 -1.1250200000e-01 -6.2015100000e-01 -1.5389700000e-01  9.4452900000e-01  2.0295000000e-02 -1.8774100000e-01 -1.8123770000e+00  2.1178180000e+00  2.1261900000e-01 -1.0863600000e+00  1.6394430000e+00  4.8197100000e-01 -2.0847510000e+00  2.7451380000e+00
-ENERGY -1.526592158107e+02
-FORCES -2.0130000000e-04  1.7813000000e-03 -2.8673000000e-03 -3.0933000000e-03  9.2380000000e-04  4.1300000000e-03  1.4540000000e-03 -4.8288000000e-03 -2.0210000000e-04  1.8140000000e-03  6.3909000000e-03 -5.8849000000e-03  1.4856000000e-03 -6.3475000000e-03  8.2289000000e-03 -1.4591000000e-03  2.0802000000e-03 -3.4045000000e-03
-
-JOB 207
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9506100000e-01 -3.1159300000e-01  1.3419300000e-01  1.4690400000e-01  6.2209200000e-01  7.1249700000e-01  1.0425530000e+00  1.7229440000e+00  1.7789110000e+00  9.7893900000e-01  2.6057020000e+00  1.4143240000e+00  4.5595100000e-01  1.7328170000e+00  2.5352390000e+00
-ENERGY -1.526579912357e+02
-FORCES  5.8255000000e-03  9.0707000000e-03  1.0164300000e-02  3.2120000000e-03  2.7644000000e-03  1.9620000000e-03 -8.2989000000e-03 -5.9307000000e-03 -5.4183000000e-03 -9.3420000000e-04  1.2026000000e-03 -2.1296000000e-03 -8.8140000000e-04 -5.4885000000e-03  2.2965000000e-03  1.0770000000e-03 -1.6184000000e-03 -6.8749000000e-03
-
-JOB 208
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2784100000e-01 -1.5539100000e-01 -1.7662400000e-01 -3.5851000000e-02  9.0181900000e-01  3.1885400000e-01 -6.6911800000e-01 -1.9471820000e+00  1.7570520000e+00 -6.9421200000e-01 -1.2203830000e+00  1.1346660000e+00  1.3049200000e-01 -1.8024420000e+00  2.2629240000e+00
-ENERGY -1.526585995604e+02
-FORCES  2.8596000000e-03 -3.2317000000e-03  3.6101000000e-03 -4.4933000000e-03  2.0068000000e-03  1.9102000000e-03  8.8590000000e-04 -5.5325000000e-03 -5.9770000000e-04  5.7564000000e-03  1.2752300000e-02 -9.5363000000e-03 -3.5713000000e-03 -5.4474000000e-03  5.9311000000e-03 -1.4373000000e-03 -5.4750000000e-04 -1.3174000000e-03
-
-JOB 209
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4551500000e-01  3.6814900000e-01  6.0333100000e-01 -6.1777000000e-02  6.4258600000e-01 -7.0675200000e-01  1.2018360000e+00 -1.1075940000e+00 -3.0051610000e+00  1.3778200000e+00 -2.0176590000e+00 -3.2439990000e+00  1.1906260000e+00 -6.3840500000e-01 -3.8394070000e+00
-ENERGY -1.526536374046e+02
-FORCES  3.5849000000e-03  3.1198000000e-03 -3.0404000000e-03 -2.6047000000e-03 -1.4460000000e-03 -2.0122000000e-03 -9.2780000000e-04 -7.7400000000e-04  4.1461000000e-03  6.3430000000e-04 -3.6612000000e-03 -3.7535000000e-03 -4.0910000000e-04  3.9773000000e-03  4.7970000000e-04 -2.7760000000e-04 -1.2160000000e-03  4.1801000000e-03
-
-JOB 210
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3674300000e-01  1.9455600000e-01 -2.9882000000e-02 -1.8875700000e-01 -1.2913900000e-01  9.2947600000e-01 -1.8652580000e+00 -3.0324200000e-01 -1.8416970000e+00 -1.0550140000e+00 -8.3066000000e-02 -1.3820690000e+00 -1.9234140000e+00 -1.2568180000e+00 -1.7821740000e+00
-ENERGY -1.526582727590e+02
-FORCES -7.7487000000e-03 -1.0053000000e-03 -2.5991000000e-03 -5.1655000000e-03 -1.2600000000e-03  5.6820000000e-04  3.5915000000e-03  4.0620000000e-04 -3.8736000000e-03  1.2288400000e-02 -7.0390000000e-04  1.2125800000e-02 -2.6595000000e-03  3.2590000000e-04 -6.3710000000e-03 -3.0610000000e-04  2.2371000000e-03  1.4970000000e-04
-
-JOB 211
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8858300000e-01 -1.1115300000e-01 -8.1557600000e-01 -9.0164100000e-01 -2.2692600000e-01 -2.2755300000e-01 -2.6267380000e+00 -3.0667700000e-01  8.5729000000e-02 -3.3982660000e+00 -8.6122000000e-02 -4.3612600000e-01 -2.6268640000e+00 -1.2631950000e+00  1.2184500000e-01
-ENERGY -1.526571997514e+02
-FORCES -1.4285800000e-02  5.4980000000e-04 -1.3316000000e-03 -3.8459000000e-03 -7.8600000000e-05  1.9125000000e-03  8.8936000000e-03 -5.4896000000e-03 -9.1300000000e-05  2.4070000000e-03  7.3450000000e-04 -7.3330000000e-04  3.7638000000e-03 -2.2639000000e-03  2.9185000000e-03  3.0673000000e-03  6.5478000000e-03 -2.6749000000e-03
-
-JOB 212
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3373900000e-01  1.6114100000e-01  1.3563700000e-01 -3.8890000000e-02 -8.7478800000e-01 -3.8660800000e-01 -1.8081200000e+00  8.8235700000e-01  1.8703760000e+00 -1.1434680000e+00  4.2819400000e-01  1.3524900000e+00 -1.8561660000e+00  3.8609900000e-01  2.6874750000e+00
-ENERGY -1.526605343665e+02
-FORCES  7.3410000000e-04 -2.6530000000e-04  3.3130000000e-04 -4.8594000000e-03 -1.9875000000e-03 -6.7170000000e-04  1.0134000000e-03  4.3931000000e-03  2.7095000000e-03  8.2847000000e-03 -5.0253000000e-03 -7.4327000000e-03 -6.5742000000e-03  2.3315000000e-03  8.4350000000e-03  1.4014000000e-03  5.5350000000e-04 -3.3715000000e-03
-
-JOB 213
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3603200000e-01  1.7625700000e-01 -4.3152600000e-01  6.6079300000e-01  2.4755500000e-01 -6.4676200000e-01  1.3226780000e+00 -1.1595930000e+00  2.9675490000e+00  1.7954160000e+00 -7.6371200000e-01  2.2354090000e+00  4.2509000000e-01 -1.2563520000e+00  2.6494220000e+00
-ENERGY -1.526574076018e+02
-FORCES -1.5323000000e-03  2.3586000000e-03 -5.4769000000e-03  3.6847000000e-03 -8.0810000000e-04  1.6789000000e-03 -2.5746000000e-03 -1.1224000000e-03  3.1779000000e-03 -3.3524000000e-03  2.4135000000e-03 -6.8069000000e-03  8.1560000000e-04 -1.7216000000e-03  3.6046000000e-03  2.9590000000e-03 -1.1199000000e-03  3.8224000000e-03
-
-JOB 214
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5006000000e-02  9.3425500000e-01 -1.9792400000e-01 -1.1977000000e-02 -4.2807300000e-01 -8.5606200000e-01 -2.1145600000e+00 -7.4107300000e-01  1.6817100000e+00 -1.9395850000e+00 -1.4881300000e-01  2.4130390000e+00 -1.3332430000e+00 -6.8099500000e-01  1.1320130000e+00
-ENERGY -1.526606547891e+02
-FORCES -3.6221000000e-03  2.6868000000e-03 -2.1692000000e-03  9.7170000000e-04 -4.6802000000e-03  4.5090000000e-04 -5.5360000000e-04  2.5108000000e-03  4.5295000000e-03  1.1375700000e-02  4.6562000000e-03 -5.4273000000e-03 -6.5040000000e-04 -9.9820000000e-04 -2.3517000000e-03 -7.5213000000e-03 -4.1754000000e-03  4.9678000000e-03
-
-JOB 215
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5535100000e-01 -5.8087000000e-02  1.2711000000e-02  2.0011700000e-01  4.8867600000e-01 -7.9836200000e-01  9.9030700000e-01  2.0275030000e+00 -1.5039500000e+00  6.7287900000e-01  2.5335460000e+00 -7.5602400000e-01  2.8507600000e-01  2.0840910000e+00 -2.1486820000e+00
-ENERGY -1.526560079757e+02
-FORCES  4.9471000000e-03  7.8745000000e-03 -9.0301000000e-03  3.8152000000e-03  2.7480000000e-03 -1.5990000000e-03 -8.1862000000e-03 -4.4767000000e-03  3.8520000000e-03 -3.0658000000e-03  2.1398000000e-03  5.8522000000e-03  3.6380000000e-04 -3.4084000000e-03 -5.1737000000e-03  2.1259000000e-03 -4.8772000000e-03  6.0986000000e-03
-
-JOB 216
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4742600000e-01  1.1629300000e-01  7.1356000000e-02  3.4542800000e-01  3.2987000000e-01  8.2951600000e-01  6.7270000000e-02  3.2907510000e+00 -2.3508000000e-01  7.7542300000e-01  3.0313820000e+00  3.5439300000e-01  2.4586500000e-01  2.8173510000e+00 -1.0476250000e+00
-ENERGY -1.526558334271e+02
-FORCES -4.3298000000e-03  2.9337000000e-03  4.5208000000e-03  4.0326000000e-03 -1.6753000000e-03 -6.1990000000e-04  2.2400000000e-05 -8.3510000000e-04 -3.5367000000e-03  4.3060000000e-03 -5.4465000000e-03 -2.3216000000e-03 -3.0112000000e-03  9.0470000000e-04 -7.4610000000e-04 -1.0199000000e-03  4.1184000000e-03  2.7034000000e-03
-
-JOB 217
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7561900000e-01 -3.3342500000e-01 -1.9583300000e-01 -5.3874200000e-01 -2.9455800000e-01 -7.3431900000e-01  1.0066110000e+00 -1.4627470000e+00 -2.4990250000e+00  1.8495110000e+00 -1.6658270000e+00 -2.9046220000e+00  8.4463100000e-01 -2.1940950000e+00 -1.9031010000e+00
-ENERGY -1.526568540505e+02
-FORCES  3.1161000000e-03 -1.6583000000e-03 -8.9993000000e-03 -2.3532000000e-03 -1.8750000000e-04  4.4032000000e-03 -4.1210000000e-04 -1.6850000000e-04  4.8630000000e-03  2.7229000000e-03 -4.1301000000e-03 -1.4966000000e-03 -3.6570000000e-03  7.7250000000e-04  2.6902000000e-03  5.8320000000e-04  5.3718000000e-03 -1.4605000000e-03
-
-JOB 218
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2344000000e-02  7.2028400000e-01  6.3029400000e-01 -8.1112800000e-01  1.2586200000e-01 -4.9240400000e-01  1.5326000000e-02  1.7163900000e+00  2.0032250000e+00  9.7093000000e-02  2.6699490000e+00  1.9867740000e+00 -7.4316300000e-01  1.5501830000e+00  2.5629580000e+00
-ENERGY -1.526590325000e+02
-FORCES -5.0390000000e-04  1.2592800000e-02  1.2084900000e-02 -1.2646000000e-03 -6.2830000000e-03 -6.9939000000e-03  1.7673000000e-03  7.5060000000e-04  2.7539000000e-03 -1.8787000000e-03 -4.1707000000e-03 -4.6135000000e-03 -1.7552000000e-03 -5.1908000000e-03  4.6150000000e-04  3.6350000000e-03  2.3011000000e-03 -3.6928000000e-03
-
-JOB 219
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7751100000e-01 -9.3268800000e-01 -1.2171300000e-01 -6.2727200000e-01  3.2655000000e-02  7.2228500000e-01 -1.6655590000e+00  2.6339800000e-01  2.2851530000e+00 -1.4448480000e+00  1.1286200000e+00  2.6299860000e+00 -1.3994460000e+00 -3.4480900000e-01  2.9747180000e+00
-ENERGY -1.526612782726e+02
-FORCES -7.8362000000e-03 -1.6426000000e-03  8.8619000000e-03 -7.8100000000e-04  2.5570000000e-03  1.4486000000e-03  7.3967000000e-03 -5.1160000000e-04 -8.3498000000e-03  2.8759000000e-03  1.6284000000e-03  3.5942000000e-03 -7.8710000000e-04 -5.1374000000e-03 -1.6760000000e-03 -8.6820000000e-04  3.1062000000e-03 -3.8789000000e-03
-
-JOB 220
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0753900000e-01 -9.2405500000e-01 -2.2536500000e-01  6.6023300000e-01  1.6103000000e-01  6.7408700000e-01  9.7312700000e-01 -2.7516730000e+00 -3.7160100000e-01  1.8635640000e+00 -3.0542720000e+00 -5.4989200000e-01  4.1350800000e-01 -3.4791010000e+00 -6.4345800000e-01
-ENERGY -1.526607325777e+02
-FORCES  5.6197000000e-03 -9.0529000000e-03  1.0899000000e-03 -5.0171000000e-03  7.2016000000e-03  4.9690000000e-04 -1.7514000000e-03  6.8580000000e-04 -1.8706000000e-03  2.5218000000e-03 -2.5147000000e-03 -1.7884000000e-03 -4.3691000000e-03  2.3000000000e-05  1.0710000000e-03  2.9960000000e-03  3.6572000000e-03  1.0012000000e-03
-
-JOB 221
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6367100000e-01 -2.9780000000e-02  7.7305900000e-01 -8.8620100000e-01 -1.0952300000e-01  3.4479700000e-01  1.4213030000e+00 -3.4988400000e-01  2.0687460000e+00  1.4646200000e+00  4.4968400000e-01  2.5931950000e+00  2.2462510000e+00 -3.6356600000e-01  1.5834560000e+00
-ENERGY -1.526543290476e+02
-FORCES  1.2085200000e-02 -5.3036000000e-03  2.4155500000e-02  1.4558000000e-03  3.4135000000e-03 -8.3689000000e-03  2.4072000000e-03  8.4480000000e-04  3.4350000000e-04 -6.3889000000e-03  2.9943000000e-03 -1.1597100000e-02 -1.2580000000e-03 -4.2573000000e-03 -5.1388000000e-03 -8.3013000000e-03  2.3083000000e-03  6.0570000000e-04
-
-JOB 222
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1585900000e-01 -2.4844900000e-01  1.2532900000e-01  3.7851400000e-01 -2.7435000000e-02  8.7875300000e-01 -2.9284630000e+00 -6.8907000000e-02 -1.1457400000e-01 -3.0274050000e+00 -8.2617100000e-01 -6.9163000000e-01 -3.5742190000e+00 -2.0892700000e-01  5.7797700000e-01
-ENERGY -1.526596313183e+02
-FORCES -8.5024000000e-03  7.2510000000e-04  3.1631000000e-03  9.8923000000e-03 -3.1154000000e-03 -1.0072000000e-03 -1.9134000000e-03  3.7000000000e-06 -2.5906000000e-03 -5.1729000000e-03 -1.5143000000e-03 -4.7360000000e-04  2.3140000000e-03  3.6334000000e-03  4.4330000000e-03  3.3823000000e-03  2.6750000000e-04 -3.5247000000e-03
-
-JOB 223
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9425500000e-01 -9.2989900000e-01  1.1741000000e-01  9.3442300000e-01  2.5828000000e-02 -2.0596000000e-01  2.5594560000e+00  2.0865710000e+00  1.8055700000e+00  2.5580210000e+00  3.0075990000e+00  1.5449210000e+00  2.2433840000e+00  1.6180400000e+00  1.0330360000e+00
-ENERGY -1.526528959297e+02
-FORCES  1.9447000000e-03 -5.5856000000e-03 -4.7400000000e-05  6.0570000000e-04  4.0917000000e-03 -9.1680000000e-04 -2.7553000000e-03  2.4992000000e-03  2.0920000000e-03 -2.9784000000e-03  2.5397000000e-03 -3.8202000000e-03  4.1780000000e-04 -3.8326000000e-03  1.1770000000e-03  2.7656000000e-03  2.8770000000e-04  1.5155000000e-03
-
-JOB 224
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3025200000e-01 -1.0147900000e-01  2.0140800000e-01 -3.7957000000e-02  7.5796400000e-01 -5.8333600000e-01 -5.4005000000e-01 -2.4226280000e+00 -2.0054210000e+00 -7.4123800000e-01 -3.3318660000e+00 -1.7839650000e+00 -8.0932000000e-01 -1.9227130000e+00 -1.2348300000e+00
-ENERGY -1.526596159234e+02
-FORCES  5.5592000000e-03  3.7492000000e-03 -1.9427000000e-03 -4.1259000000e-03  1.0173000000e-03 -3.1520000000e-04  1.4730000000e-04 -3.2269000000e-03  2.9245000000e-03 -1.4579000000e-03  1.2285000000e-03  5.5344000000e-03  1.0041000000e-03  3.4976000000e-03 -2.5390000000e-04 -1.1268000000e-03 -6.2657000000e-03 -5.9471000000e-03
-
-JOB 225
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1458400000e-01 -7.5614200000e-01  4.9549800000e-01  7.2013100000e-01  2.1491900000e-01 -5.9283500000e-01  8.1568200000e-01 -2.0036850000e+00  1.9658250000e+00  1.0928530000e+00 -2.8749220000e+00  1.6823580000e+00  1.6031490000e+00 -1.6126170000e+00  2.3442350000e+00
-ENERGY -1.526606280837e+02
-FORCES  3.7681000000e-03 -6.9209000000e-03  4.8117000000e-03 -1.2103000000e-03  7.6855000000e-03 -8.0985000000e-03 -1.6557000000e-03 -1.3612000000e-03  2.6915000000e-03  3.6628000000e-03 -2.3764000000e-03  3.1868000000e-03 -8.2010000000e-04  5.1899000000e-03  8.0650000000e-04 -3.7448000000e-03 -2.2169000000e-03 -3.3980000000e-03
-
-JOB 226
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1648800000e-01  1.6225300000e-01  6.1363700000e-01 -2.2529100000e-01 -8.3132000000e-01 -4.1759200000e-01 -1.9835430000e+00  8.5066600000e-01  1.7026260000e+00 -1.9286360000e+00  1.8048310000e+00  1.6498400000e+00 -2.7387280000e+00  6.2336200000e-01  1.1601680000e+00
-ENERGY -1.526598424476e+02
-FORCES -9.6038000000e-03  2.1756000000e-03  9.7977000000e-03  5.4710000000e-03 -3.8129000000e-03 -9.5420000000e-03 -1.4039000000e-03  3.0071000000e-03  2.0812000000e-03  1.7450000000e-04  4.0826000000e-03 -3.5591000000e-03 -9.5450000000e-04 -5.5180000000e-03 -1.0750000000e-04  6.3166000000e-03  6.5600000000e-05  1.3297000000e-03
-
-JOB 227
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5569100000e-01  3.4789000000e-02  4.0934000000e-02 -1.9484100000e-01 -8.8378100000e-01 -3.1177000000e-01  2.7835630000e+00 -1.2309400000e-01 -2.8481200000e-01  3.0053560000e+00  3.0342300000e-01 -1.1125330000e+00  3.4348390000e+00  2.0396000000e-01  3.3575800000e-01
-ENERGY -1.526616059487e+02
-FORCES  1.2602600000e-02 -3.6769000000e-03 -1.1184000000e-03 -9.7577000000e-03  1.6754000000e-03  7.4120000000e-04  3.3590000000e-04  2.5514000000e-03  4.5010000000e-04  7.4240000000e-04  2.6085000000e-03 -1.0871000000e-03 -7.1010000000e-04 -2.0583000000e-03  4.8478000000e-03 -3.2131000000e-03 -1.1001000000e-03 -3.8336000000e-03
-
-JOB 228
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2039000000e-01 -9.4959500000e-01  2.8550000000e-03 -7.9963000000e-01  1.3900600000e-01 -5.0744600000e-01  2.4392900000e-01 -2.6022980000e+00  6.5800000000e-03  9.0086900000e-01 -2.9363980000e+00 -6.0418900000e-01  2.2992700000e-01 -3.2426470000e+00  7.1790900000e-01
-ENERGY -1.526590985005e+02
-FORCES -4.3110000000e-04 -1.8803800000e-02  2.0080000000e-04  4.9710000000e-04  7.6805000000e-03 -2.4942000000e-03  2.1145000000e-03 -1.3813000000e-03  1.0450000000e-03  3.2560000000e-04  9.3789000000e-03  2.2387000000e-03 -3.6005000000e-03  1.4327000000e-03  4.0379000000e-03  1.0944000000e-03  1.6930000000e-03 -5.0284000000e-03
-
-JOB 229
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4671300000e-01 -3.7255000000e-01  6.9176800000e-01 -2.5380600000e-01 -4.7750200000e-01 -7.8981400000e-01  2.7180220000e+00  2.5544700000e-01  4.7527100000e-01  1.7964010000e+00  4.9399000000e-02  3.1909400000e-01  2.8990950000e+00  9.9758100000e-01 -1.0151400000e-01
-ENERGY -1.526611441620e+02
-FORCES  9.2100000000e-05 -2.1359000000e-03  8.0560000000e-04  2.7406000000e-03  1.2480000000e-03 -4.4160000000e-03  1.4234000000e-03  2.3667000000e-03  4.5356000000e-03 -1.3670100000e-02  1.4108000000e-03 -3.5840000000e-03  9.8564000000e-03 -6.1510000000e-04  1.6003000000e-03 -4.4240000000e-04 -2.2746000000e-03  1.0585000000e-03
-
-JOB 230
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7769700000e-01 -7.3604700000e-01  2.0182500000e-01  2.9639400000e-01  7.0317500000e-01  5.7786500000e-01 -2.9197840000e+00 -8.0587300000e-01  1.5824070000e+00 -2.8828160000e+00  2.0856000000e-02  1.1013820000e+00 -3.6712130000e+00 -7.0970100000e-01  2.1675020000e+00
-ENERGY -1.526550170618e+02
-FORCES  3.7295000000e-03 -2.1885000000e-03  4.1008000000e-03 -1.2819000000e-03  3.5385000000e-03 -1.3664000000e-03 -1.7942000000e-03 -2.3079000000e-03 -2.5699000000e-03 -1.9072000000e-03  4.0521000000e-03 -1.4236000000e-03 -2.2261000000e-03 -2.7714000000e-03  3.5427000000e-03  3.4799000000e-03 -3.2280000000e-04 -2.2836000000e-03
-
-JOB 231
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4308400000e-01 -1.7345700000e-01 -4.1875300000e-01 -6.4919200000e-01 -2.1144900000e-01 -6.7087300000e-01 -1.6567670000e+00 -8.0446400000e-01 -2.0197060000e+00 -2.5635350000e+00 -4.9826800000e-01 -2.0039510000e+00 -1.2511380000e+00 -3.1658300000e-01 -2.7364140000e+00
-ENERGY -1.526593096391e+02
-FORCES -8.1170000000e-03 -6.8810000000e-03 -1.1652300000e-02 -2.8048000000e-03  9.1350000000e-04 -6.5200000000e-05  6.6195000000e-03  5.8253000000e-03  5.7269000000e-03 -1.9100000000e-04  3.0458000000e-03  2.5780000000e-04  5.5781000000e-03 -9.3720000000e-04 -2.1480000000e-04 -1.0847000000e-03 -1.9664000000e-03  5.9475000000e-03
-
-JOB 232
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1089200000e-01 -2.6584100000e-01 -1.2584400000e-01  5.6352000000e-02  8.6356900000e-01  4.0903000000e-01 -6.7828400000e-01 -1.7884100000e+00  1.9602120000e+00 -4.9475600000e-01 -1.1840990000e+00  1.2409370000e+00  5.6490000000e-03 -1.6084800000e+00  2.6052640000e+00
-ENERGY -1.526591980601e+02
-FORCES  2.1156000000e-03  5.8020000000e-04  2.8710000000e-03 -5.5462000000e-03  9.5920000000e-04  3.2000000000e-03  6.3860000000e-04 -5.6787000000e-03 -1.2535000000e-03  4.2560000000e-03  1.0956700000e-02 -1.0223500000e-02 -1.6880000000e-04 -7.2209000000e-03  8.1752000000e-03 -1.2952000000e-03  4.0350000000e-04 -2.7692000000e-03
-
-JOB 233
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3229000000e-01  1.8368300000e-01 -1.1544600000e-01 -1.2266800000e-01 -8.6866000000e-01 -3.8290300000e-01  2.6790620000e+00  6.9220000000e-02  4.7924000000e-02  3.0750020000e+00  6.6166400000e-01 -5.9119600000e-01  3.1813750000e+00  2.1130800000e-01  8.5024800000e-01
-ENERGY -1.526593023306e+02
-FORCES  1.6615700000e-02 -2.4788000000e-03  2.2060000000e-04 -8.1161000000e-03  2.2433000000e-03 -3.4791000000e-03  4.4820000000e-04  2.3030000000e-03  8.3230000000e-04 -4.1435000000e-03  8.9320000000e-04  3.7938000000e-03 -3.8690000000e-03 -2.7541000000e-03  3.8717000000e-03 -9.3520000000e-04 -2.0650000000e-04 -5.2394000000e-03
-
-JOB 234
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4137200000e-01 -3.4507600000e-01  2.9874400000e-01 -6.0755800000e-01 -1.9889900000e-01  7.1242100000e-01  6.8443300000e-01  2.5571710000e+00 -1.7727800000e-01 -1.8139000000e-02  2.9305640000e+00  3.5489000000e-01  4.6120800000e-01  1.6294240000e+00 -2.5269200000e-01
-ENERGY -1.526579339801e+02
-FORCES  1.9333000000e-03  7.3194000000e-03  4.2764000000e-03 -4.9852000000e-03  3.8640000000e-03 -1.6184000000e-03  3.7594000000e-03  9.5330000000e-04 -3.2224000000e-03 -8.6491000000e-03 -1.7631200000e-02  1.8116000000e-03  1.5484000000e-03 -1.3981000000e-03 -8.2670000000e-04  6.3931000000e-03  6.8925000000e-03 -4.2040000000e-04
-
-JOB 235
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3814100000e-01 -1.6934700000e-01 -8.6284000000e-02  2.7871000000e-01 -5.5760100000e-01  7.2638400000e-01 -4.1687600000e-01  2.6645920000e+00 -1.0623300000e-01 -1.3328000000e-01  1.7522590000e+00 -4.7481000000e-02  1.1311300000e-01  3.1231140000e+00  5.4576500000e-01
-ENERGY -1.526600337013e+02
-FORCES -3.0421000000e-03  3.0755000000e-03  2.7198000000e-03  5.9601000000e-03  2.0951000000e-03  1.2970000000e-03 -2.3176000000e-03  2.3505000000e-03 -3.5820000000e-03  5.7713000000e-03 -1.3793500000e-02  2.3245000000e-03 -5.2904000000e-03  8.6596000000e-03 -1.4047000000e-03 -1.0814000000e-03 -2.3872000000e-03 -1.3547000000e-03
-
-JOB 236
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.9522000000e-02  9.2357600000e-01  2.3094200000e-01 -7.1704200000e-01 -4.4013300000e-01  4.5647100000e-01  9.3055000000e-01 -2.2520840000e+00 -1.3118240000e+00  1.8474470000e+00 -2.4331530000e+00 -1.5185760000e+00  9.4293200000e-01 -1.3860670000e+00 -9.0428000000e-01
-ENERGY -1.526609861192e+02
-FORCES -2.2638000000e-03 -1.1511000000e-03  2.2410000000e-04 -8.6460000000e-04 -4.2808000000e-03 -1.1390000000e-04  3.5335000000e-03  3.6723000000e-03 -1.6191000000e-03 -5.4600000000e-05  8.4885000000e-03  3.4712000000e-03 -2.7328000000e-03  1.9564000000e-03  1.0262000000e-03  2.3823000000e-03 -8.6854000000e-03 -2.9884000000e-03
-
-JOB 237
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4648900000e-01 -1.2043700000e-01 -7.6712000000e-02  1.0148500000e-01  6.9684100000e-01  6.4834100000e-01  2.1510320000e+00  6.1855500000e-01 -1.8723390000e+00  1.4283950000e+00  2.9741300000e-01 -1.3329920000e+00  2.1245830000e+00  7.3095000000e-02 -2.6584730000e+00
-ENERGY -1.526617013678e+02
-FORCES -3.3544000000e-03  2.7420000000e-03  1.7382000000e-03  4.1268000000e-03  8.6880000000e-04  1.3500000000e-03 -1.1311000000e-03 -3.6084000000e-03 -3.5437000000e-03 -7.4305000000e-03 -4.5614000000e-03  3.4506000000e-03  8.3471000000e-03  3.0524000000e-03 -5.4535000000e-03 -5.5790000000e-04  1.5067000000e-03  2.4584000000e-03
-
-JOB 238
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1583000000e-02 -4.6944400000e-01 -8.3258200000e-01  8.9644100000e-01 -7.2230000000e-03  3.3551900000e-01  2.7437780000e+00  2.2584900000e-01 -4.2000000000e-05  2.9306050000e+00  1.1132960000e+00 -3.0625600000e-01  3.3900330000e+00  6.8461000000e-02  6.8830000000e-01
-ENERGY -1.526602427412e+02
-FORCES  1.4522900000e-02 -1.5349000000e-03 -2.1413000000e-03 -1.2972000000e-03  1.5675000000e-03  1.7185000000e-03 -8.2520000000e-03 -1.6050000000e-04  2.2467000000e-03 -9.9250000000e-04  3.5786000000e-03 -7.5640000000e-04  1.2470000000e-04 -4.8796000000e-03  2.0921000000e-03 -4.1058000000e-03  1.4290000000e-03 -3.1597000000e-03
-
-JOB 239
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4506200000e-01 -1.7283600000e-01 -4.1500600000e-01  1.1845600000e-01 -7.2462700000e-01  6.1409800000e-01 -3.0312530000e+00  6.5156300000e-01  9.7590900000e-01 -2.1870660000e+00  8.0178100000e-01  1.4013680000e+00 -2.9803090000e+00  1.1485520000e+00  1.5942900000e-01
-ENERGY -1.526572210089e+02
-FORCES -3.1810000000e-03 -6.0052000000e-03 -2.1580000000e-04  4.0777000000e-03  2.9307000000e-03  1.3980000000e-03 -4.3070000000e-04  3.9135000000e-03 -1.9381000000e-03  4.6289000000e-03  5.1024000000e-03 -2.7180000000e-04 -5.1598000000e-03 -2.1013000000e-03 -1.2707000000e-03  6.4800000000e-05 -3.8400000000e-03  2.2985000000e-03
-
-JOB 240
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2945400000e-01  9.3101400000e-01 -1.8079500000e-01  3.2671700000e-01 -4.4411400000e-01 -7.8246400000e-01  8.0493600000e-01 -2.2089260000e+00 -1.4030320000e+00  1.7131170000e+00 -2.1566950000e+00 -1.7008780000e+00  8.3031500000e-01 -2.8120180000e+00 -6.6015400000e-01
-ENERGY -1.526596202617e+02
-FORCES  2.4207000000e-03 -7.5267000000e-03 -7.0345000000e-03  9.6830000000e-04 -4.3353000000e-03 -1.2509000000e-03 -9.6630000000e-04  9.8435000000e-03  4.2728000000e-03  1.2266000000e-03 -1.4050000000e-03  6.8553000000e-03 -4.6930000000e-03  1.6321000000e-03  1.9937000000e-03  1.0437000000e-03  1.7915000000e-03 -4.8364000000e-03
-
-JOB 241
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2111500000e-01  1.8258200000e-01 -7.8187900000e-01 -3.0271600000e-01  6.3934200000e-01  6.4485400000e-01  1.6561800000e+00 -3.3472780000e+00 -1.4860390000e+00  1.6093570000e+00 -4.2273490000e+00 -1.8595550000e+00  1.5751770000e+00 -3.4826450000e+00 -5.4192700000e-01
-ENERGY -1.526543381409e+02
-FORCES -3.2173000000e-03  3.3683000000e-03 -1.6269000000e-03  1.6873000000e-03 -1.8800000000e-04  3.6844000000e-03  1.3077000000e-03 -2.8105000000e-03 -2.5200000000e-03 -6.3280000000e-04 -3.3600000000e-03  3.2891000000e-03  8.8500000000e-05  3.6623000000e-03  1.3622000000e-03  7.6660000000e-04 -6.7220000000e-04 -4.1889000000e-03
-
-JOB 242
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2252100000e-01  9.3791000000e-01  1.4678000000e-01  3.1337100000e-01 -6.2784000000e-02 -9.0226900000e-01 -2.6015610000e+00 -6.9475600000e-01 -6.6486300000e-01 -2.8567700000e+00 -1.1952190000e+00  1.1014500000e-01 -1.7365530000e+00 -3.4526700000e-01 -4.5073900000e-01
-ENERGY -1.526596461494e+02
-FORCES  1.2369000000e-03  1.5430000000e-03 -2.8130000000e-03 -2.1094000000e-03 -6.4012000000e-03 -1.9267000000e-03 -4.4885000000e-03  7.9160000000e-04  5.1908000000e-03  1.3490700000e-02  8.9380000000e-04  7.2488000000e-03  4.4370000000e-04  1.6398000000e-03 -2.0612000000e-03 -8.5735000000e-03  1.5331000000e-03 -5.6386000000e-03
-
-JOB 243
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3764000000e-02  9.4920200000e-01 -9.0724000000e-02 -2.1195400000e-01 -3.4366500000e-01 -8.6787200000e-01  2.8050250000e+00  1.9833370000e+00 -1.5898810000e+00  2.0077860000e+00  2.1198930000e+00 -2.1017350000e+00  2.5668530000e+00  1.3136240000e+00 -9.4879500000e-01
-ENERGY -1.526551822072e+02
-FORCES -4.0218000000e-03  1.4764000000e-03 -2.8518000000e-03  1.9206000000e-03 -4.4714000000e-03 -5.3030000000e-04  1.7071000000e-03  2.1883000000e-03  3.7025000000e-03 -3.3732000000e-03 -3.2072000000e-03  8.7330000000e-04  2.4666000000e-03 -4.7450000000e-04  2.4255000000e-03  1.3007000000e-03  4.4883000000e-03 -3.6192000000e-03
-
-JOB 244
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4513900000e-01 -2.7857500000e-01  5.3234900000e-01 -1.1292000000e-02  9.5567700000e-01  5.2782000000e-02 -2.7744010000e+00  4.6491200000e-01 -1.4830850000e+00 -2.4572300000e+00  9.8044000000e-01 -7.4155600000e-01 -2.5096740000e+00 -4.3271600000e-01 -1.2820500000e+00
-ENERGY -1.526518219244e+02
-FORCES -1.9321000000e-03  3.5723000000e-03  1.6198000000e-03  1.1975000000e-03  1.5780000000e-03 -4.3654000000e-03 -1.4246000000e-03 -4.3625000000e-03  1.2390000000e-04  6.4944000000e-03 -2.6986000000e-03  2.9420000000e-03 -1.1989000000e-03 -1.1568000000e-03 -9.2270000000e-04 -3.1362000000e-03  3.0676000000e-03  6.0250000000e-04
-
-JOB 245
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3274600000e-01 -4.8217000000e-02  8.5243100000e-01  9.5665000000e-02 -8.7854700000e-01 -3.6774300000e-01  4.8774000000e-01 -2.1009540000e+00 -1.4544440000e+00  1.3796060000e+00 -1.8601240000e+00 -1.7050570000e+00 -3.9065000000e-02 -1.9119550000e+00 -2.2309670000e+00
-ENERGY -1.526585315993e+02
-FORCES  2.9065000000e-03 -1.7855400000e-02 -9.1101000000e-03  1.2050000000e-04 -1.8400000000e-03 -3.6527000000e-03 -1.0441000000e-03  9.3680000000e-03  4.6157000000e-03 -1.9030000000e-04  1.1453900000e-02  1.4616000000e-03 -5.1981000000e-03 -8.9190000000e-04  1.9142000000e-03  3.4056000000e-03 -2.3450000000e-04  4.7713000000e-03
-
-JOB 246
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0811900000e-01  7.9737100000e-01 -4.8694800000e-01 -7.5166800000e-01 -3.7310000000e-01 -4.6046000000e-01  1.9539700000e+00 -2.1035200000e-01 -1.8010710000e+00  2.8753390000e+00 -4.6978700000e-01 -1.8032150000e+00  1.6123060000e+00 -5.4515800000e-01 -9.7197300000e-01
-ENERGY -1.526601940640e+02
-FORCES  5.3120000000e-04  3.2725000000e-03 -8.7204000000e-03 -3.8990000000e-04 -5.3986000000e-03  3.4143000000e-03  3.8556000000e-03  1.5057000000e-03  1.8871000000e-03 -5.7899000000e-03 -2.1997000000e-03  8.0722000000e-03 -4.2244000000e-03  1.4240000000e-04  2.4131000000e-03  6.0174000000e-03  2.6777000000e-03 -7.0663000000e-03
-
-JOB 247
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1367000000e-02  9.5472500000e-01 -4.5756000000e-02 -6.6004800000e-01 -3.0593500000e-01 -6.2207100000e-01 -1.0950400000e-01 -1.6903510000e+00  2.1722120000e+00 -3.0842000000e-02 -1.0158600000e+00  1.4975970000e+00 -1.0516950000e+00 -1.8365340000e+00  2.2567080000e+00
-ENERGY -1.526602430603e+02
-FORCES -2.1126000000e-03 -5.2720000000e-04  6.4050000000e-04 -6.7390000000e-04 -5.1097000000e-03 -5.8750000000e-04  2.6483000000e-03  2.4190000000e-03  3.9633000000e-03 -1.1974000000e-03  9.1366000000e-03 -1.0131800000e-02 -1.0850000000e-03 -6.5260000000e-03  7.3745000000e-03  2.4206000000e-03  6.0730000000e-04 -1.2590000000e-03
-
-JOB 248
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1756000000e-02 -9.3450700000e-01 -2.0293900000e-01 -6.4281400000e-01  1.2284500000e-01  6.9852100000e-01  1.7039480000e+00  3.2474400000e-01  1.9924100000e+00  1.4635170000e+00  1.1894480000e+00  2.3251430000e+00  1.0387360000e+00  1.2790700000e-01  1.3328800000e+00
-ENERGY -1.526540254537e+02
-FORCES  2.7415000000e-03 -2.1130000000e-03  4.8130000000e-03  9.7270000000e-04  5.8077000000e-03  2.9289000000e-03  1.0676000000e-02 -1.3310000000e-04  3.7900000000e-05 -1.0264800000e-02  3.1810000000e-04 -1.6726200000e-02 -1.4182000000e-03 -3.1022000000e-03 -1.7594000000e-03 -2.7072000000e-03 -7.7760000000e-04  1.0705900000e-02
-
-JOB 249
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4327900000e-01  9.2221700000e-01 -2.1264700000e-01 -5.6059600000e-01 -1.6119000000e-01  7.5893500000e-01  2.5929750000e+00  3.3240400000e-01  3.9681400000e-01  1.6956790000e+00  1.5218000000e-02  4.9920500000e-01  2.5233060000e+00  1.0507490000e+00 -2.3196200000e-01
-ENERGY -1.526558284020e+02
-FORCES  5.3783000000e-03  5.0331000000e-03  1.3188000000e-03  2.4822000000e-03 -4.8335000000e-03  1.5432000000e-03  5.1466000000e-03  1.3546000000e-03 -3.4683000000e-03 -1.9461000000e-02 -2.3211000000e-03 -5.5661000000e-03  6.8474000000e-03  1.4099000000e-03  4.4707000000e-03 -3.9340000000e-04 -6.4310000000e-04  1.7017000000e-03
-
-JOB 250
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4722100000e-01 -4.3374100000e-01  1.0157100000e-01  5.8320800000e-01 -4.6999100000e-01  5.9599400000e-01  2.1624250000e+00 -8.0881400000e-01  1.6394160000e+00  2.8447430000e+00 -5.4514300000e-01  1.0220400000e+00  2.1481120000e+00 -1.1049600000e-01  2.2939210000e+00
-ENERGY -1.526619166555e+02
-FORCES  6.0741000000e-03 -5.6070000000e-03  6.6326000000e-03  3.4055000000e-03  8.3830000000e-04  9.0930000000e-04 -8.2804000000e-03  4.3391000000e-03 -6.6541000000e-03  3.2697000000e-03  5.0851000000e-03 -4.8600000000e-04 -4.1647000000e-03 -1.0656000000e-03  3.4189000000e-03 -3.0420000000e-04 -3.5899000000e-03 -3.8207000000e-03
-
-JOB 251
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0957200000e-01 -2.5385300000e-01  1.5642900000e-01  5.2497000000e-02  6.7775200000e-01 -6.7389000000e-01  1.0545840000e+00  3.0645760000e+00  1.3985330000e+00  1.3601300000e-01  3.0768550000e+00  1.1296330000e+00  1.5368910000e+00  3.3362880000e+00  6.1764600000e-01
-ENERGY -1.526537691688e+02
-FORCES  5.5463000000e-03  2.1716000000e-03 -5.0900000000e-04 -3.8848000000e-03  1.4300000000e-05 -1.7404000000e-03 -9.0230000000e-04 -1.8926000000e-03  2.4577000000e-03 -3.0393000000e-03  6.6940000000e-04 -3.1683000000e-03  4.3236000000e-03  1.1394000000e-03  2.7360000000e-04 -2.0436000000e-03 -2.1020000000e-03  2.6864000000e-03
-
-JOB 252
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1690100000e-01  3.3563200000e-01  7.3239100000e-01  4.9380000000e-03  7.0964700000e-01 -6.4234600000e-01  1.8228780000e+00  3.2937000000e-01  2.0021170000e+00  2.7211730000e+00  1.0357400000e-01  1.7606360000e+00  1.6109400000e+00 -2.6562500000e-01  2.7213500000e+00
-ENERGY -1.526605646175e+02
-FORCES  9.0933000000e-03  3.7419000000e-03  9.0882000000e-03 -8.1051000000e-03 -5.4790000000e-04 -6.4662000000e-03  1.4966000000e-03 -1.7813000000e-03  2.6254000000e-03 -2.8210000000e-04 -5.2181000000e-03 -3.9158000000e-03 -3.8221000000e-03  9.9060000000e-04  2.5496000000e-03  1.6194000000e-03  2.8149000000e-03 -3.8812000000e-03
-
-JOB 253
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8869000000e-02 -5.4277800000e-01  7.8623000000e-01 -9.3955900000e-01  1.1331300000e-01 -1.4359800000e-01  5.9006300000e-01  2.0353360000e+00  1.6723890000e+00  5.5004500000e-01  2.9536670000e+00  1.4053710000e+00  4.8941700000e-01  1.5437870000e+00  8.5723100000e-01
-ENERGY -1.526603344363e+02
-FORCES -3.0168000000e-03  1.7020000000e-04  7.2964000000e-03 -5.2770000000e-04  3.6755000000e-03 -4.6654000000e-03  5.1386000000e-03  6.4300000000e-04  1.1125000000e-03 -1.5280000000e-03 -8.3185000000e-03 -1.0414300000e-02 -9.3800000000e-04 -4.0044000000e-03 -1.2662000000e-03  8.7190000000e-04  7.8342000000e-03  7.9371000000e-03
-
-JOB 254
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8965700000e-01 -3.7134000000e-02  3.5123100000e-01  5.4039800000e-01  2.6822800000e-01  7.4313900000e-01  8.2528000000e-02 -2.8432890000e+00 -3.4303800000e-01 -8.1521600000e-01 -3.0586440000e+00 -9.0233000000e-02  7.3963000000e-02 -1.8951960000e+00 -4.7447900000e-01
-ENERGY -1.526592996699e+02
-FORCES  4.2590000000e-04 -9.5000000000e-06  6.1834000000e-03  4.6407000000e-03 -2.3113000000e-03 -2.3255000000e-03 -3.5850000000e-03 -5.6470000000e-04 -3.4507000000e-03 -1.7299000000e-03  1.0988200000e-02  7.0530000000e-04  2.5240000000e-03  1.8900000000e-03 -2.6080000000e-04 -2.2757000000e-03 -9.9928000000e-03 -8.5170000000e-04
-
-JOB 255
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8894400000e-01  1.3976200000e-01 -9.2790000000e-01 -4.4597900000e-01 -8.1921600000e-01  2.1498600000e-01  1.8111070000e+00  1.3276440000e+00  2.4889470000e+00  2.2758870000e+00  1.9993760000e+00  1.9899610000e+00  1.8868150000e+00  5.3674000000e-01  1.9551200000e+00
-ENERGY -1.526558888431e+02
-FORCES -4.3357000000e-03 -2.1459000000e-03 -3.1768000000e-03  8.3210000000e-04 -5.7100000000e-04  4.0485000000e-03  2.6155000000e-03  3.3756000000e-03 -9.7970000000e-04 -2.8980000000e-04 -1.1240000000e-03 -7.0870000000e-03 -1.0555000000e-03 -1.9696000000e-03  2.3771000000e-03  2.2334000000e-03  2.4348000000e-03  4.8178000000e-03
-
-JOB 256
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5042100000e-01  1.9948000000e-02  1.1195500000e-01  3.3867500000e-01 -2.3222900000e-01  8.6463900000e-01  3.0781500000e+00  8.1168400000e-01 -1.3818240000e+00  3.8391010000e+00  1.1623570000e+00 -1.8446570000e+00  3.0766580000e+00 -1.2148000000e-01 -1.5949780000e+00
-ENERGY -1.526533756270e+02
-FORCES -2.0694000000e-03  2.6290000000e-04  4.3881000000e-03  4.0136000000e-03 -2.5100000000e-05 -6.1160000000e-04 -1.7793000000e-03  1.7560000000e-04 -3.6248000000e-03  1.8035000000e-03 -2.9823000000e-03 -3.1337000000e-03 -3.3764000000e-03 -1.2398000000e-03  1.9930000000e-03  1.4081000000e-03  3.8088000000e-03  9.8900000000e-04
-
-JOB 257
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8406100000e-01 -4.5720000000e-03 -5.4905300000e-01 -1.2854300000e-01  9.2092900000e-01  2.2715400000e-01 -1.7451450000e+00 -9.9543100000e-01 -2.0962540000e+00 -1.3257210000e+00 -4.1028700000e-01 -1.4654430000e+00 -1.3253190000e+00 -7.8874600000e-01 -2.9312750000e+00
-ENERGY -1.526585457700e+02
-FORCES  5.1710000000e-03  1.4424000000e-03  1.1169000000e-03 -5.5424000000e-03  8.4560000000e-04  1.4338000000e-03 -3.8800000000e-04 -5.1522000000e-03 -3.1405000000e-03  6.2670000000e-03  4.1818000000e-03  6.0415000000e-03 -5.2860000000e-03 -1.0110000000e-03 -9.0055000000e-03 -2.2150000000e-04 -3.0660000000e-04  3.5538000000e-03
-
-JOB 258
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0472200000e-01  3.3940300000e-01  3.9174000000e-01  1.7656100000e-01 -9.2975800000e-01 -1.4355500000e-01  2.1369510000e+00 -3.1379500000e-01  1.6173550000e+00  3.0913070000e+00 -2.7811500000e-01  1.5528290000e+00  1.9684460000e+00 -8.7174900000e-01  2.3766480000e+00
-ENERGY -1.526580693033e+02
-FORCES  1.3111900000e-02 -4.4450000000e-03  8.0575000000e-03 -3.6961000000e-03  3.3999000000e-03 -4.1326000000e-03 -2.4840000000e-03  1.2471000000e-03 -5.0120000000e-04 -4.4248000000e-03 -1.4020000000e-03  3.0190000000e-04 -5.1416000000e-03 -6.6440000000e-04  1.1600000000e-04  2.6346000000e-03  1.8645000000e-03 -3.8417000000e-03
-
-JOB 259
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0546000000e-01  1.5969500000e-01 -2.6621700000e-01  1.0738200000e-01  5.0941600000e-01  8.0324100000e-01  3.5036600000e-01 -2.5176470000e+00 -5.7247100000e-01  5.4195600000e-01 -1.6019980000e+00 -3.6971000000e-01  1.0808840000e+00 -2.7994530000e+00 -1.1230730000e+00
-ENERGY -1.526594942099e+02
-FORCES -2.7605000000e-03 -9.2002000000e-03 -1.0330000000e-03  4.6013000000e-03  1.3264000000e-03  2.5831000000e-03 -1.6319000000e-03 -2.1487000000e-03 -4.0270000000e-03 -7.3960000000e-04  1.5106900000e-02  3.6713000000e-03  2.2265000000e-03 -8.4923000000e-03 -3.2384000000e-03 -1.6957000000e-03  3.4079000000e-03  2.0440000000e-03
-
-JOB 260
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4027000000e-02 -9.2979500000e-01  2.2613400000e-01  5.1398000000e-02  4.5307600000e-01  8.4161300000e-01  7.7169200000e-01 -1.2144050000e+00  2.9082730000e+00 -1.8219100000e-01 -1.2504730000e+00  2.9792430000e+00  1.0812100000e+00 -1.9243370000e+00  3.4707920000e+00
-ENERGY -1.526566122960e+02
-FORCES  3.8321000000e-03 -2.8053000000e-03  6.4455000000e-03 -2.6195000000e-03  3.0404000000e-03 -2.5705000000e-03 -2.8285000000e-03 -4.1850000000e-04 -3.8546000000e-03 -1.1483000000e-03 -3.5975000000e-03  4.7835000000e-03  4.6022000000e-03  8.1800000000e-04 -2.2039000000e-03 -1.8380000000e-03  2.9629000000e-03 -2.6001000000e-03
-
-JOB 261
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6690200000e-01 -6.8582200000e-01 -5.5791000000e-01 -7.3868500000e-01  2.9857700000e-01  5.3049800000e-01 -8.2635300000e-01 -1.9779180000e+00 -1.5736450000e+00 -5.7179200000e-01 -2.8994170000e+00 -1.6212940000e+00 -1.4208180000e+00 -1.8545880000e+00 -2.3136670000e+00
-ENERGY -1.526597399671e+02
-FORCES -5.8399000000e-03 -1.1784400000e-02 -7.8983000000e-03  1.1358000000e-03  7.0943000000e-03  4.3457000000e-03  1.1854000000e-03 -1.6049000000e-03 -2.4715000000e-03  3.5185000000e-03  4.1262000000e-03  3.9815000000e-03 -2.7986000000e-03  4.0582000000e-03 -1.7901000000e-03  2.7988000000e-03 -1.8894000000e-03  3.8326000000e-03
-
-JOB 262
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0435000000e-02  9.2239500000e-01 -2.5495600000e-01 -1.8388400000e-01 -4.7682800000e-01 -8.0935400000e-01 -4.2210100000e-01 -2.1571620000e+00 -1.9851530000e+00 -2.4561400000e-01 -2.8610590000e+00 -1.3609630000e+00  4.0090900000e-01 -2.0466520000e+00 -2.4612560000e+00
-ENERGY -1.526609081312e+02
-FORCES -3.1732000000e-03 -3.1645000000e-03 -6.7269000000e-03  2.0980000000e-04 -3.6992000000e-03 -3.7260000000e-04  4.2651000000e-03  7.8038000000e-03  6.4084000000e-03  3.4921000000e-03 -6.0705000000e-03  8.9210000000e-04 -5.0790000000e-04  3.7253000000e-03 -3.7594000000e-03 -4.2859000000e-03  1.4051000000e-03  3.5583000000e-03
-
-JOB 263
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0503500000e-01 -6.6670100000e-01  3.2507600000e-01 -3.0177200000e-01  8.1450900000e-01  4.0216900000e-01 -1.8257490000e+00 -5.9544800000e-01 -1.9637920000e+00 -2.5837530000e+00 -4.5508100000e-01 -1.3963780000e+00 -1.0757680000e+00 -3.2656800000e-01 -1.4332600000e+00
-ENERGY -1.526560765635e+02
-FORCES -4.7102000000e-03  1.7240000000e-04  1.8300000000e-03  3.7330000000e-04  5.4878000000e-03 -7.0280000000e-03  9.8700000000e-05 -5.1654000000e-03 -2.8832000000e-03  9.1649000000e-03  6.0285000000e-03  9.3037000000e-03  3.6554000000e-03 -8.3870000000e-04  6.1100000000e-05 -8.5822000000e-03 -5.6845000000e-03 -1.2836000000e-03
-
-JOB 264
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8829500000e-01  6.2855700000e-01  6.9691700000e-01  6.2420500000e-01 -6.1157200000e-01  3.9061600000e-01 -5.6049200000e-01  1.8959000000e+00  2.1035150000e+00 -1.4802530000e+00  1.8078410000e+00  2.3535510000e+00 -5.6497600000e-01  2.5394150000e+00  1.3949260000e+00
-ENERGY -1.526606427689e+02
-FORCES  4.3420000000e-04  4.2311000000e-03  1.0923000000e-02  6.0870000000e-04 -2.5196000000e-03 -1.0226100000e-02 -1.9835000000e-03  1.6744000000e-03 -1.2165000000e-03 -4.2687000000e-03  3.3603000000e-03  2.6530000000e-04  5.0178000000e-03  4.2370000000e-04 -2.0448000000e-03  1.9140000000e-04 -7.1699000000e-03  2.2992000000e-03
-
-JOB 265
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8526300000e-01  1.9940500000e-01  5.0973700000e-01 -7.1536500000e-01  4.3083000000e-02  6.3453000000e-01  9.6036300000e-01 -1.5584260000e+00 -2.3663150000e+00  7.7909000000e-02 -1.4078140000e+00 -2.0274600000e+00  1.5394310000e+00 -1.3181860000e+00 -1.6429920000e+00
-ENERGY -1.526570804414e+02
-FORCES  7.6580000000e-04  1.6649000000e-03  4.4569000000e-03 -3.1144000000e-03 -1.8678000000e-03 -2.8781000000e-03  3.2588000000e-03 -3.6070000000e-04 -3.2255000000e-03 -3.8492000000e-03  5.2401000000e-03  8.9168000000e-03  1.2832000000e-03 -3.3559000000e-03 -4.6854000000e-03  1.6556000000e-03 -1.3206000000e-03 -2.5847000000e-03
-
-JOB 266
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7914900000e-01  1.9466700000e-01  5.2082900000e-01 -4.8440000000e-03 -9.5406800000e-01 -7.7215000000e-02  1.9872010000e+00  1.5816300000e-01  1.8064590000e+00  2.8761580000e+00 -7.9435000000e-02  1.5427630000e+00  2.1013050000e+00  9.1724500000e-01  2.3783030000e+00
-ENERGY -1.526595693687e+02
-FORCES  1.1779800000e-02 -1.7145000000e-03  1.1855300000e-02 -5.3537000000e-03  5.8110000000e-04 -7.0728000000e-03  5.2900000000e-04  2.3062000000e-03 -2.7510000000e-04 -2.3516000000e-03  1.4858000000e-03 -2.2905000000e-03 -5.1337000000e-03  1.5072000000e-03  1.2672000000e-03  5.3030000000e-04 -4.1659000000e-03 -3.4841000000e-03
-
-JOB 267
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2221400000e-01 -9.4906000000e-01 -2.4104000000e-02  7.4306600000e-01  3.2481800000e-01  5.0850600000e-01 -1.0583800000e+00  1.9795990000e+00 -1.5224920000e+00 -7.7957100000e-01  2.8718720000e+00 -1.3167090000e+00 -6.9880400000e-01  1.4463020000e+00 -8.1359700000e-01
-ENERGY -1.526579383536e+02
-FORCES -9.0980000000e-04 -4.3720000000e-04 -4.6590000000e-03  1.3408000000e-03  4.2696000000e-03  1.8675000000e-03 -4.4361000000e-03 -3.1910000000e-04 -3.2327000000e-03  4.2717000000e-03 -8.6811000000e-03  6.6939000000e-03  5.8230000000e-04 -4.0401000000e-03  9.2410000000e-04 -8.4890000000e-04  9.2078000000e-03 -1.5937000000e-03
-
-JOB 268
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5005500000e-01  9.1796000000e-02 -7.2119000000e-02  3.4561900000e-01  8.4220000000e-01 -2.9576800000e-01 -1.3919290000e+00 -3.4563730000e+00  8.3117200000e-01 -4.3505800000e-01 -3.4328430000e+00  8.2247900000e-01 -1.6363880000e+00 -3.6147320000e+00 -8.0636000000e-02
-ENERGY -1.526556281850e+02
-FORCES -3.1625000000e-03  4.0325000000e-03 -7.6280000000e-04  4.3194000000e-03  3.6530000000e-04 -5.9910000000e-04 -1.4704000000e-03 -3.5469000000e-03  1.1683000000e-03  4.2415000000e-03  5.5000000000e-05 -3.6622000000e-03 -4.3221000000e-03 -1.6010000000e-03  2.5100000000e-04  3.9410000000e-04  6.9500000000e-04  3.6048000000e-03
-
-JOB 269
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3677900000e-01 -2.4340600000e-01 -5.6048400000e-01 -1.6940700000e-01  9.1191600000e-01  2.3652000000e-01 -8.5893100000e-01 -2.1505670000e+00  1.4862630000e+00 -1.7687250000e+00 -1.8541450000e+00  1.5115870000e+00 -3.9921300000e-01 -1.4722670000e+00  9.9149000000e-01
-ENERGY -1.526577353462e+02
-FORCES -3.6916000000e-03  9.4310000000e-04  2.1482000000e-03  3.1213000000e-03 -6.4000000000e-04  6.6772000000e-03 -3.1120000000e-04 -4.6706000000e-03 -2.3253000000e-03  3.7817000000e-03  1.2922300000e-02 -5.0536000000e-03  2.4745000000e-03 -4.1730000000e-04 -1.3267000000e-03 -5.3747000000e-03 -8.1375000000e-03 -1.1990000000e-04
-
-JOB 270
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8586600000e-01 -1.4477500000e-01 -6.5181300000e-01 -1.3370300000e-01 -6.9267100000e-01  6.4696400000e-01 -1.8429900000e-01 -1.8183050000e+00  2.1883190000e+00 -1.0588280000e+00 -1.5125690000e+00  2.4290590000e+00 -3.3747800000e-01 -2.6386440000e+00  1.7194780000e+00
-ENERGY -1.526586142660e+02
-FORCES -6.2330000000e-04 -7.4655000000e-03  7.4816000000e-03  1.7511000000e-03 -9.9880000000e-04  3.6474000000e-03 -3.5005000000e-03  5.4690000000e-03 -9.5214000000e-03 -2.9813000000e-03 -2.7186000000e-03  2.5257000000e-03  5.1397000000e-03 -1.0064000000e-03 -4.4667000000e-03  2.1420000000e-04  6.7203000000e-03  3.3350000000e-04
-
-JOB 271
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8832800000e-01  2.8759900000e-01 -7.7139800000e-01 -2.5805000000e-01  6.1196300000e-01  6.8930600000e-01 -3.4891700000e-01  1.5288820000e+00  2.1925930000e+00 -1.1874600000e-01  2.3571160000e+00  1.7715450000e+00 -1.3002230000e+00  1.5663430000e+00  2.2918200000e+00
-ENERGY -1.526570960507e+02
-FORCES -2.2751000000e-03  8.1159000000e-03  1.2723800000e-02  8.1760000000e-04  1.2132000000e-03  4.5357000000e-03 -1.3948000000e-03 -2.0872000000e-03 -1.1341500000e-02 -4.8710000000e-04  9.3130000000e-04 -1.3851000000e-03 -2.5715000000e-03 -7.1214000000e-03 -6.4060000000e-04  5.9108000000e-03 -1.0518000000e-03 -3.8924000000e-03
-
-JOB 272
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1531000000e-02 -5.4054000000e-01 -7.8887500000e-01 -6.0114900000e-01 -4.2332200000e-01  6.1290300000e-01 -6.7023000000e-01  2.7976960000e+00  1.7848500000e-01  3.6506000000e-02  3.1328350000e+00  7.3024400000e-01 -4.6738300000e-01  1.8689710000e+00  6.6437000000e-02
-ENERGY -1.526619960560e+02
-FORCES -2.0991000000e-03 -3.4410000000e-03 -1.4504000000e-03 -2.4610000000e-04  1.8135000000e-03  4.5568000000e-03  2.9338000000e-03  2.7038000000e-03 -3.6725000000e-03  5.5555000000e-03 -9.5193000000e-03 -1.4130000000e-04 -2.2112000000e-03 -1.1449000000e-03 -1.3376000000e-03 -3.9329000000e-03  9.5878000000e-03  2.0451000000e-03
-
-JOB 273
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1066200000e-01  5.6212000000e-02  2.8942500000e-01 -5.1123500000e-01  3.2367000000e-02  8.0859300000e-01  1.5748240000e+00  8.8025200000e-01  2.5136260000e+00  1.5679100000e+00  1.8740000000e-03  2.8939360000e+00  2.3746020000e+00  1.2822820000e+00  2.8526850000e+00
-ENERGY -1.526576584297e+02
-FORCES  3.5791000000e-03  4.2297000000e-03  7.6846000000e-03 -3.0893000000e-03 -3.5826000000e-03 -4.2176000000e-03  1.3420000000e-04 -2.2088000000e-03 -3.2210000000e-03  3.5760000000e-03 -4.8000000000e-05  4.7265000000e-03 -6.4060000000e-04  3.9675000000e-03 -3.4139000000e-03 -3.5593000000e-03 -2.3578000000e-03 -1.5586000000e-03
-
-JOB 274
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2072600000e-01 -1.6712700000e-01  4.6336800000e-01  1.5667800000e-01 -7.9737700000e-01 -5.0584000000e-01 -2.7704400000e-01  2.5813610000e+00 -4.2418100000e-01 -1.6868000000e-01  1.6360950000e+00 -5.2887100000e-01 -8.7707000000e-02  2.9420180000e+00 -1.2903850000e+00
-ENERGY -1.526591587311e+02
-FORCES -2.6711000000e-03  4.8224000000e-03 -3.2090000000e-04  4.6522000000e-03  6.2200000000e-04 -3.9587000000e-03 -1.6084000000e-03  4.0406000000e-03  2.7654000000e-03  3.4171000000e-03 -1.5389800000e-02  6.1120000000e-04 -3.7884000000e-03  9.2002000000e-03 -1.1246000000e-03 -1.4000000000e-06 -3.2953000000e-03  2.0276000000e-03
-
-JOB 275
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6950000000e-02 -6.7718900000e-01 -6.7486400000e-01  7.0073500000e-01 -2.2289200000e-01  6.1279800000e-01  9.8010200000e-01  1.5111470000e+00 -3.4553090000e+00  1.3802570000e+00  2.2511430000e+00 -3.9119410000e+00  1.6354380000e+00  1.2440750000e+00 -2.8107630000e+00
-ENERGY -1.526541924555e+02
-FORCES  1.4964000000e-03 -4.1217000000e-03 -2.3520000000e-04  6.9120000000e-04  2.8342000000e-03  3.3481000000e-03 -2.5169000000e-03  1.3141000000e-03 -2.9916000000e-03  3.8487000000e-03  2.7474000000e-03  1.7143000000e-03 -1.5365000000e-03 -3.0292000000e-03  1.8135000000e-03 -1.9829000000e-03  2.5520000000e-04 -3.6492000000e-03
-
-JOB 276
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6414600000e-01 -8.4085000000e-02  7.6870100000e-01  1.8295200000e-01  8.7696800000e-01 -3.3717600000e-01 -2.2237080000e+00  1.0194700000e-01  1.6480980000e+00 -1.5343550000e+00  1.0425000000e-02  9.9033800000e-01 -1.8919600000e+00  7.6579200000e-01  2.2526510000e+00
-ENERGY -1.526589116511e+02
-FORCES  1.3929000000e-03  2.9946000000e-03  2.1751000000e-03 -5.7114000000e-03  1.8989000000e-03 -3.0737000000e-03 -1.1710000000e-03 -4.5064000000e-03  3.3137000000e-03  1.1454700000e-02  1.1001000000e-03 -8.8051000000e-03 -6.3132000000e-03  5.7870000000e-04  8.5365000000e-03  3.4790000000e-04 -2.0659000000e-03 -2.1466000000e-03
-
-JOB 277
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4378700000e-01  8.7697300000e-01 -1.7017800000e-01 -3.3597200000e-01 -5.3342100000e-01 -7.2028900000e-01 -8.1400600000e-01 -1.4926760000e+00 -2.1493350000e+00 -1.6914690000e+00 -1.2211370000e+00 -2.4186990000e+00 -4.0343300000e-01 -1.8098620000e+00 -2.9537320000e+00
-ENERGY -1.526596207375e+02
-FORCES -3.3663000000e-03 -5.7633000000e-03 -1.1584900000e-02  1.1360000000e-04 -2.9827000000e-03 -3.5180000000e-04 -6.6800000000e-04  5.6426000000e-03  7.6592000000e-03  2.7174000000e-03  1.9669000000e-03  2.6200000000e-05  5.2736000000e-03 -1.9910000000e-04  1.4947000000e-03 -4.0704000000e-03  1.3356000000e-03  2.7567000000e-03
-
-JOB 278
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7176000000e-01  2.0383000000e-02 -7.6740300000e-01  8.8028800000e-01  1.2902300000e-01 -3.5309800000e-01  2.7164100000e+00  4.6585700000e-01 -2.3587400000e-01  2.9042110000e+00  1.2966990000e+00  2.0077700000e-01  3.3336670000e+00  4.3397200000e-01 -9.6677000000e-01
-ENERGY -1.526607497447e+02
-FORCES  1.0463200000e-02  1.2389000000e-03 -2.9628000000e-03  3.3778000000e-03  1.7690000000e-04  1.5968000000e-03 -1.0807200000e-02 -8.3900000000e-04 -3.1500000000e-05  3.5420000000e-04  2.7039000000e-03  1.1864000000e-03 -9.1000000000e-06 -4.1735000000e-03 -3.3052000000e-03 -3.3789000000e-03  8.9270000000e-04  3.5163000000e-03
-
-JOB 279
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5317400000e-01 -1.5985000000e-01 -4.0345300000e-01 -6.3397400000e-01 -2.5280300000e-01 -6.7111800000e-01  3.7354000000e-02  2.4011800000e+00  1.7066110000e+00 -8.4819000000e-02  3.2882530000e+00  1.3683690000e+00  5.6098000000e-02  1.8472350000e+00  9.2621000000e-01
-ENERGY -1.526601506373e+02
-FORCES  1.2200000000e-05 -4.3487000000e-03 -3.5020000000e-03 -4.6630000000e-03  1.9156000000e-03  1.6406000000e-03  3.6666000000e-03  1.2752000000e-03  2.8027000000e-03 -1.0373000000e-03 -4.5656000000e-03 -5.9634000000e-03  2.9950000000e-04 -3.6728000000e-03  1.8710000000e-04  1.7220000000e-03  9.3963000000e-03  4.8350000000e-03
-
-JOB 280
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0142000000e-02  3.8584000000e-01  8.7593200000e-01  3.8361500000e-01 -8.6923500000e-01  1.1619600000e-01 -2.7373890000e+00  1.1345310000e+00  1.3772760000e+00 -2.7763940000e+00  1.8432050000e+00  7.3502100000e-01 -2.3554990000e+00  1.5378880000e+00  2.1568240000e+00
-ENERGY -1.526534582264e+02
-FORCES -1.4567000000e-03 -2.1845000000e-03  5.1586000000e-03  2.6117000000e-03 -5.4500000000e-04 -3.1397000000e-03 -1.4180000000e-03  3.4711000000e-03 -3.9950000000e-04  3.1550000000e-04  4.3132000000e-03 -1.6850000000e-03 -2.0210000000e-04 -2.4486000000e-03  3.6692000000e-03  1.4950000000e-04 -2.6062000000e-03 -3.6036000000e-03
-
-JOB 281
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0034200000e-01  6.0838300000e-01 -2.3584800000e-01  3.5296000000e-02 -6.1949900000e-01 -7.2884000000e-01 -1.4058700000e-01  3.9597620000e+00  6.6474700000e-01 -6.6469700000e-01  3.4516110000e+00  1.2838790000e+00  7.0408500000e-01  3.5101670000e+00  6.3975000000e-01
-ENERGY -1.526559314515e+02
-FORCES -2.9049000000e-03 -7.4810000000e-04 -4.7898000000e-03  3.1040000000e-03 -2.7370000000e-03  1.9045000000e-03 -2.1120000000e-04  2.5343000000e-03  3.0110000000e-03  2.4937000000e-03 -3.6130000000e-03  3.3509000000e-03  1.4058000000e-03  1.9185000000e-03 -3.3199000000e-03 -3.8873000000e-03  2.6453000000e-03 -1.5670000000e-04
-
-JOB 282
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2194800000e-01 -8.2925700000e-01  2.2477600000e-01 -4.1705300000e-01 -1.6443500000e-01 -8.4573000000e-01  1.3001200000e-01  2.2197060000e+00  1.9536810000e+00  5.5221100000e-01  1.9030600000e+00  2.7522510000e+00  1.5134000000e-02  1.4361290000e+00  1.4160560000e+00
-ENERGY -1.526606305188e+02
-FORCES -5.6930000000e-04 -2.2437000000e-03 -3.5839000000e-03 -2.1812000000e-03  3.8991000000e-03 -9.3290000000e-04  2.6075000000e-03 -9.2660000000e-04  3.6017000000e-03  3.5800000000e-04 -7.2703000000e-03 -3.9789000000e-03 -1.1727000000e-03  2.4690000000e-04 -2.8463000000e-03  9.5760000000e-04  6.2947000000e-03  7.7403000000e-03
-
-JOB 283
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7157800000e-01  5.4299300000e-01 -6.3166800000e-01 -5.6960700000e-01 -2.3254000000e-02  7.6892100000e-01 -1.6114840000e+00  8.6295300000e-01 -2.1568990000e+00 -2.4626070000e+00  1.0739500000e+00 -1.7731010000e+00 -1.5014160000e+00  1.5008450000e+00 -2.8620310000e+00
-ENERGY -1.526591254766e+02
-FORCES -6.9995000000e-03  3.4355000000e-03 -7.3882000000e-03  4.0495000000e-03 -1.5934000000e-03  9.2461000000e-03  7.2970000000e-04  5.1710000000e-04 -3.1669000000e-03 -1.9884000000e-03  1.4110000000e-03 -1.8479000000e-03  5.5399000000e-03 -5.9620000000e-04 -6.2090000000e-04 -1.3311000000e-03 -3.1740000000e-03  3.7778000000e-03
-
-JOB 284
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3333200000e-01 -9.5340000000e-02  8.4815400000e-01  9.0819100000e-01 -2.5359100000e-01  1.6465800000e-01 -1.7627320000e+00  1.3016500000e-01  2.1253740000e+00 -2.3396700000e+00  3.1095400000e-01  1.3832890000e+00 -2.2428250000e+00 -5.0839900000e-01  2.6526110000e+00
-ENERGY -1.526607818524e+02
-FORCES -3.1498000000e-03 -5.8470000000e-04  1.0737600000e-02  2.4592000000e-03  9.8380000000e-04 -1.0080300000e-02 -3.0807000000e-03  3.0890000000e-04  6.4940000000e-04 -3.2231000000e-03 -1.4665000000e-03 -2.2707000000e-03  5.4030000000e-03 -2.6799000000e-03  3.8696000000e-03  1.5914000000e-03  3.4383000000e-03 -2.9055000000e-03
-
-JOB 285
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4583600000e-01 -3.1638800000e-01  8.3458200000e-01  6.9689000000e-01 -1.7811200000e-01 -6.3154700000e-01 -1.4295630000e+00 -1.4026840000e+00 -2.6634860000e+00 -1.6192240000e+00 -2.1030180000e+00 -2.0391520000e+00 -5.5375700000e-01 -1.6051200000e+00 -2.9924480000e+00
-ENERGY -1.526523949345e+02
-FORCES  4.0079000000e-03 -9.7130000000e-04 -5.9290000000e-04 -2.0802000000e-03  7.1790000000e-04 -3.8718000000e-03 -1.9785000000e-03  1.2270000000e-04  2.9069000000e-03  2.1174000000e-03 -2.9585000000e-03  3.5633000000e-03  6.3420000000e-04  1.6995000000e-03 -3.7165000000e-03 -2.7007000000e-03  1.3897000000e-03  1.7110000000e-03
-
-JOB 286
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8851300000e-01 -1.8717400000e-01  3.0288900000e-01 -5.6378800000e-01 -2.8582500000e-01  7.1880400000e-01 -8.2114500000e-01 -2.0381310000e+00 -1.6143400000e+00 -4.4172100000e-01 -1.4585930000e+00 -9.5373000000e-01 -7.9010000000e-01 -2.9082250000e+00 -1.2165890000e+00
-ENERGY -1.526575642797e+02
-FORCES -4.1600000000e-05 -4.3830000000e-04  1.8421000000e-03 -6.0356000000e-03 -1.3503000000e-03 -2.3181000000e-03  3.8917000000e-03 -2.0398000000e-03 -6.3740000000e-03  5.1723000000e-03  1.0223400000e-02  7.6962000000e-03 -3.6885000000e-03 -1.0889100000e-02 -1.7185000000e-03  7.0170000000e-04  4.4941000000e-03  8.7230000000e-04
-
-JOB 287
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6420000000e-02 -9.0835400000e-01 -2.9447100000e-01  3.3307200000e-01  5.1539600000e-01 -7.3461700000e-01  5.0021500000e-01  1.2250380000e+00 -2.4337950000e+00 -8.6270000000e-02  1.1573950000e+00 -3.1872480000e+00  1.3504790000e+00  1.4508280000e+00 -2.8110250000e+00
-ENERGY -1.526602354795e+02
-FORCES  2.5807000000e-03  3.2262000000e-03 -1.2575200000e-02 -4.2490000000e-04  2.1924000000e-03  8.6530000000e-04  4.3900000000e-04 -2.7794000000e-03  8.1683000000e-03 -2.4379000000e-03 -1.6452000000e-03 -6.4100000000e-05  4.4118000000e-03  6.6260000000e-04  2.1552000000e-03 -4.5688000000e-03 -1.6565000000e-03  1.4506000000e-03
-
-JOB 288
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4154700000e-01  6.2045900000e-01  6.4390100000e-01 -4.0600000000e-02 -8.4914100000e-01  4.3993500000e-01 -1.1409880000e+00  6.5699200000e-01  2.4749380000e+00 -9.1952400000e-01  3.5255200000e-01  3.3549960000e+00 -1.0434810000e+00  1.6082180000e+00  2.5184360000e+00
-ENERGY -1.526565268954e+02
-FORCES -6.0428000000e-03 -1.2173000000e-03  1.3655900000e-02  1.7988000000e-03  5.1855000000e-03 -5.0588000000e-03  1.6993000000e-03  2.4370000000e-04 -3.0897000000e-03  2.9571000000e-03 -1.1060000000e-04  1.6151000000e-03 -1.4937000000e-03  1.6411000000e-03 -4.0821000000e-03  1.0812000000e-03 -5.7425000000e-03 -3.0405000000e-03
-
-JOB 289
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7586500000e-01  3.1248300000e-01 -2.2681900000e-01 -1.1272100000e-01 -7.9613700000e-01 -5.1931800000e-01 -2.0717500000e+00  1.1035600000e+00  1.5932980000e+00 -1.2555110000e+00  1.0664340000e+00  1.0946930000e+00 -2.1254020000e+00  2.5321900000e-01  2.0295010000e+00
-ENERGY -1.526597195900e+02
-FORCES -1.1671000000e-03 -2.0998000000e-03 -2.0362000000e-03 -4.5806000000e-03 -1.5216000000e-03  9.7340000000e-04  2.2255000000e-03  3.3370000000e-03  2.3476000000e-03  8.7212000000e-03 -7.2339000000e-03 -5.0879000000e-03 -3.9317000000e-03  5.2983000000e-03  4.4365000000e-03 -1.2673000000e-03  2.2200000000e-03 -6.3340000000e-04
-
-JOB 290
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1625700000e-01  6.8639000000e-02  2.6831800000e-01 -4.6499500000e-01 -2.5480600000e-01  7.9692300000e-01  2.8787450000e+00  1.0268600000e-01  2.5283300000e-01  3.5328430000e+00 -9.1255000000e-02  9.2423100000e-01  2.9935610000e+00 -5.8738500000e-01 -4.0050500000e-01
-ENERGY -1.526613053659e+02
-FORCES  8.1586000000e-03  1.0481000000e-03  4.5239000000e-03 -9.9328000000e-03 -2.5059000000e-03 -2.8646000000e-03  2.1677000000e-03  7.0570000000e-04 -2.1542000000e-03  3.5781000000e-03 -2.9535000000e-03 -3.5230000000e-04 -2.7607000000e-03  2.4160000000e-04 -3.7069000000e-03 -1.2109000000e-03  3.4640000000e-03  4.5541000000e-03
-
-JOB 291
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0150000000e-02 -9.5347800000e-01  7.8753000000e-02 -8.4056800000e-01  2.3504600000e-01 -3.9297700000e-01 -2.3365200000e+00  7.3152000000e-01 -1.4204870000e+00 -3.2895660000e+00  6.4321100000e-01 -1.4087590000e+00 -2.1821570000e+00  1.6268680000e+00 -1.7217440000e+00
-ENERGY -1.526612845825e+02
-FORCES -9.9903000000e-03 -8.3560000000e-04 -5.3225000000e-03 -2.4430000000e-04  2.5986000000e-03 -1.7600000000e-05  8.7509000000e-03 -1.7000000000e-04  3.9473000000e-03 -1.3406000000e-03  1.7313000000e-03  4.8200000000e-04  4.2469000000e-03  1.3970000000e-03 -1.2136000000e-03 -1.4227000000e-03 -4.7212000000e-03  2.1243000000e-03
-
-JOB 292
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3243500000e-01  6.8193600000e-01  6.3021300000e-01 -6.2200700000e-01 -7.0711800000e-01  1.7123900000e-01  1.2192680000e+00 -1.7290000000e-02 -2.3083170000e+00  8.3547100000e-01 -1.6026700000e-01 -1.4431640000e+00  9.2474900000e-01 -7.6517200000e-01 -2.8280880000e+00
-ENERGY -1.526570303499e+02
-FORCES  3.9127000000e-03  3.1755000000e-03 -8.8989000000e-03 -7.7550000000e-04 -4.9964000000e-03 -1.6507000000e-03  3.2409000000e-03  3.8330000000e-03 -1.4475000000e-03 -8.4294000000e-03  3.2280000000e-04  1.5007800000e-02  2.6421000000e-03 -3.8690000000e-03 -6.4998000000e-03 -5.9090000000e-04  1.5340000000e-03  3.4890000000e-03
-
-JOB 293
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3468700000e-01  8.3740000000e-02  7.8951200000e-01 -5.0212200000e-01 -5.8324000000e-01 -5.6915400000e-01  1.5920430000e+00 -2.5572900000e+00 -5.0746200000e-01  1.9911620000e+00 -2.5453220000e+00 -1.3774000000e+00  1.1800430000e+00 -1.6976730000e+00 -4.2059700000e-01
-ENERGY -1.526586724713e+02
-FORCES -6.3614000000e-03  1.9360000000e-04  3.3816000000e-03  1.8392000000e-03  1.1900000000e-05 -4.3482000000e-03  6.9652000000e-03  7.5830000000e-04  3.0490000000e-03  5.6770000000e-04  7.0657000000e-03 -8.3000000000e-05 -2.3447000000e-03  4.3650000000e-04  2.9664000000e-03 -6.6610000000e-04 -8.4660000000e-03 -4.9660000000e-03
-
-JOB 294
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4292000000e-02  9.4054400000e-01 -1.5653700000e-01 -3.8310200000e-01 -6.4303000000e-02  8.7483100000e-01  1.4395710000e+00 -2.4830980000e+00  7.0514200000e-01  2.3622600000e+00 -2.7357710000e+00  7.3727800000e-01  1.2487170000e+00 -2.3895990000e+00 -2.2816600000e-01
-ENERGY -1.526556780207e+02
-FORCES -6.4000000000e-06  1.2586000000e-03  5.5933000000e-03  2.5480000000e-04 -3.9618000000e-03  8.0820000000e-04 -5.3900000000e-05  2.1318000000e-03 -4.2837000000e-03  1.1917000000e-03  3.1406000000e-03 -5.4963000000e-03 -3.4069000000e-03  1.4492000000e-03 -2.1090000000e-04  2.0206000000e-03 -4.0185000000e-03  3.5894000000e-03
-
-JOB 295
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9685300000e-01  9.5953000000e-02  3.2043500000e-01 -5.3169300000e-01 -7.1686000000e-02  7.9271400000e-01  1.8199210000e+00 -6.7880700000e-01  2.7633900000e+00  1.6636530000e+00  2.4121900000e-01  2.9763760000e+00  1.0956540000e+00 -1.1475140000e+00  3.1780990000e+00
-ENERGY -1.526559322116e+02
-FORCES  3.6879000000e-03 -1.9145000000e-03  6.0077000000e-03 -4.4606000000e-03  2.3284000000e-03 -3.3236000000e-03  7.4590000000e-04  7.9600000000e-04 -2.5722000000e-03 -2.4952000000e-03  2.0860000000e-04  5.1568000000e-03 -1.8760000000e-04 -4.2811000000e-03 -2.9552000000e-03  2.7096000000e-03  2.8626000000e-03 -2.3135000000e-03
-
-JOB 296
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5812000000e-01  8.8442500000e-01 -2.5961300000e-01 -2.6866800000e-01 -4.2102000000e-01 -8.1657300000e-01  4.0239300000e+00  4.1595200000e-01  4.7028100000e-01  3.8700900000e+00  1.1555460000e+00 -1.1756700000e-01  3.4244490000e+00  5.6226500000e-01  1.2020220000e+00
-ENERGY -1.526539447617e+02
-FORCES -1.7460000000e-04  9.2920000000e-04 -5.1086000000e-03 -4.4440000000e-04 -3.2590000000e-03  1.5701000000e-03  7.6510000000e-04  2.0464000000e-03  3.3749000000e-03 -3.8093000000e-03  2.6914000000e-03  1.0476000000e-03  3.5930000000e-04 -2.7373000000e-03  2.1103000000e-03  3.3038000000e-03  3.2930000000e-04 -2.9943000000e-03
-
-JOB 297
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9316600000e-01  8.0299500000e-01  3.4183500000e-01 -6.4131000000e-01 -3.3279800000e-01 -6.2785200000e-01 -1.9495370000e+00 -4.5331100000e-01 -1.8829010000e+00 -1.5198210000e+00 -2.8346300000e-01 -2.7211890000e+00 -1.9689710000e+00 -1.4076990000e+00 -1.8122040000e+00
-ENERGY -1.526590707075e+02
-FORCES -1.3565600000e-02  1.1702000000e-03 -9.4785000000e-03  1.7666000000e-03 -1.7816000000e-03 -5.4360000000e-04  7.3605000000e-03 -4.1395000000e-03  5.0237000000e-03  2.8520000000e-03 -3.1460000000e-04 -2.0438000000e-03 -1.9127000000e-03 -1.5611000000e-03  5.2625000000e-03  3.4991000000e-03  6.6266000000e-03  1.7797000000e-03
-
-JOB 298
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3760000000e-03 -6.2570100000e-01  7.2436300000e-01 -5.5268600000e-01 -4.0875000000e-01 -6.6610300000e-01 -4.4529100000e-01  2.2602900000e+00  1.2529950000e+00 -1.1951400000e-01  3.0718450000e+00  8.6378900000e-01 -2.9602800000e-01  1.5950850000e+00  5.8109200000e-01
-ENERGY -1.526598784791e+02
-FORCES -3.1551000000e-03  4.2682000000e-03  6.9457000000e-03 -6.4030000000e-04  1.9404000000e-03 -5.2383000000e-03  2.5793000000e-03  1.9293000000e-03  3.9495000000e-03  3.4302000000e-03 -1.3227100000e-02 -8.9711000000e-03 -6.3630000000e-04 -3.9532000000e-03 -8.6910000000e-04 -1.5777000000e-03  9.0424000000e-03  4.1833000000e-03
-
-JOB 299
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3054000000e-02 -9.5419400000e-01 -7.2206000000e-02 -4.0700100000e-01  2.9261600000e-01 -8.1545000000e-01  2.9708010000e+00  2.9845000000e-01 -8.4704000000e-01  3.1705120000e+00 -6.3041200000e-01 -9.6349900000e-01  2.1843080000e+00  3.0826500000e-01 -3.0154500000e-01
-ENERGY -1.526594150035e+02
-FORCES -4.6316000000e-03 -2.2785000000e-03 -4.8956000000e-03  1.8099000000e-03  4.7632000000e-03  1.1100000000e-04  1.7284000000e-03 -1.9676000000e-03  4.2315000000e-03 -6.4701000000e-03 -2.7886000000e-03  3.5619000000e-03 -1.2864000000e-03  2.8384000000e-03  2.2290000000e-04  8.8498000000e-03 -5.6700000000e-04 -3.2317000000e-03
-
-JOB 300
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8632400000e-01 -3.9075200000e-01 -5.4083600000e-01  1.8892100000e-01  9.3827500000e-01 -1.3417000000e-02  3.0118800000e-01  2.8677490000e+00 -1.0323770000e+00 -4.8635000000e-01  2.7452440000e+00 -1.5624790000e+00 -6.8530000000e-03  3.3168120000e+00 -2.4517600000e-01
-ENERGY -1.526597713312e+02
-FORCES  5.3233000000e-03  6.6444000000e-03 -4.4952000000e-03 -2.6541000000e-03  4.2050000000e-04  1.7872000000e-03 -3.2664000000e-03 -6.5830000000e-03  4.7137000000e-03 -5.2115000000e-03  3.7626000000e-03 -2.1271000000e-03  4.1884000000e-03  6.4300000000e-04  3.2475000000e-03  1.6203000000e-03 -4.8875000000e-03 -3.1260000000e-03
-
-JOB 301
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4517700000e-01  5.3889500000e-01 -7.1181200000e-01 -4.0494200000e-01 -8.5751100000e-01 -1.3011200000e-01 -1.3665930000e+00  1.1903190000e+00 -1.8901460000e+00 -2.1850390000e+00  1.2662460000e+00 -1.3996230000e+00 -1.5919450000e+00  6.5610900000e-01 -2.6517690000e+00
-ENERGY -1.526571730934e+02
-FORCES -1.0515700000e-02  7.2106000000e-03 -1.6913000000e-02  2.5732000000e-03 -2.4007000000e-03  7.8919000000e-03  1.9590000000e-04  2.2086000000e-03 -1.7000000000e-06  2.4750000000e-03 -6.9669000000e-03  6.6201000000e-03  5.2081000000e-03 -2.1284000000e-03 -2.7044000000e-03  6.3500000000e-05  2.0769000000e-03  5.1071000000e-03
-
-JOB 302
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3274900000e-01  1.8746300000e-01 -1.0520600000e-01  3.8340700000e-01  2.0352900000e-01 -8.5311600000e-01  1.0617620000e+00 -3.0971850000e+00 -1.3970770000e+00  9.4769100000e-01 -2.6030180000e+00 -2.2088760000e+00  1.1487320000e+00 -4.0073550000e+00 -1.6803740000e+00
-ENERGY -1.526519738408e+02
-FORCES -1.8990000000e-03  3.3210000000e-04 -3.6581000000e-03  3.8262000000e-03 -6.1080000000e-04  3.5400000000e-04 -1.7254000000e-03 -5.8800000000e-04  2.7956000000e-03 -2.3080000000e-04 -1.7709000000e-03 -4.1629000000e-03  5.6330000000e-04 -1.3000000000e-03  3.1949000000e-03 -5.3430000000e-04  3.9375000000e-03  1.4765000000e-03
-
-JOB 303
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8824600000e-01 -2.4801600000e-01  8.7842700000e-01  5.0755500000e-01  8.0088400000e-01  1.3116300000e-01  1.2650960000e+00 -2.3194810000e+00 -6.9440800000e-01  7.4531900000e-01 -1.5321080000e+00 -5.3282900000e-01  6.6101300000e-01 -2.9205530000e+00 -1.1303290000e+00
-ENERGY -1.526609527986e+02
-FORCES  4.5259000000e-03 -6.9960000000e-04  1.9926000000e-03  2.3205000000e-03  4.7420000000e-04 -5.3678000000e-03 -3.3778000000e-03 -3.7621000000e-03  6.5980000000e-04 -7.1829000000e-03  1.1778400000e-02  9.3770000000e-04  3.0783000000e-03 -1.0643800000e-02 -2.1870000000e-04  6.3600000000e-04  2.8530000000e-03  1.9964000000e-03
-
-JOB 304
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6309200000e-01  7.4875700000e-01 -1.9626900000e-01  8.1033200000e-01  1.7740500000e-01 -4.7762100000e-01 -1.3137800000e-01 -2.5758620000e+00  2.0911100000e+00  1.4974700000e-01 -3.4301770000e+00  2.4187480000e+00 -4.4223500000e-01 -2.7499810000e+00  1.2026950000e+00
-ENERGY -1.526543110913e+02
-FORCES  1.7238000000e-03  4.7809000000e-03 -1.6784000000e-03  2.3738000000e-03 -3.2974000000e-03  6.8740000000e-04 -3.6132000000e-03 -8.7850000000e-04  1.5976000000e-03 -6.5510000000e-04 -2.4580000000e-03 -3.8594000000e-03 -7.8300000000e-04  3.7808000000e-03 -1.4077000000e-03  9.5380000000e-04 -1.9277000000e-03  4.6606000000e-03
-
-JOB 305
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1280000000e-03 -6.6921200000e-01  6.8438700000e-01  5.8154700000e-01 -3.4866300000e-01 -6.7562500000e-01 -2.0805290000e+00 -5.1909200000e-01 -1.6392350000e+00 -1.5602960000e+00 -2.7001700000e-01 -8.7532900000e-01 -2.9877060000e+00 -4.7199800000e-01 -1.3375000000e+00
-ENERGY -1.526602090530e+02
-FORCES  1.0629000000e-03 -4.6679000000e-03 -4.6191000000e-03 -1.9253000000e-03  3.1848000000e-03 -4.5290000000e-03 -3.7724000000e-03  1.4800000000e-03  4.4914000000e-03  9.0007000000e-03  4.6854000000e-03  9.5168000000e-03 -8.4047000000e-03 -4.7656000000e-03 -6.2388000000e-03  4.0388000000e-03  8.3300000000e-05  1.3787000000e-03
-
-JOB 306
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2491700000e-01  2.2317900000e-01 -7.6869100000e-01  5.4326000000e-02 -9.5552800000e-01 -1.5682000000e-02 -1.3191710000e+00  6.9192800000e-01 -2.1271490000e+00 -6.1502600000e-01  1.3110800000e+00 -2.3196630000e+00 -1.3788260000e+00  1.4516900000e-01 -2.9105570000e+00
-ENERGY -1.526565509895e+02
-FORCES -1.3088700000e-02  1.7007000000e-03 -1.6979000000e-02  8.4927000000e-03  3.3998000000e-03  4.6152000000e-03 -6.4430000000e-04  2.4041000000e-03 -1.2739000000e-03  7.3498000000e-03 -4.3749000000e-03  5.6899000000e-03 -3.2486000000e-03 -6.4531000000e-03  3.9572000000e-03  1.1392000000e-03  3.3234000000e-03  3.9906000000e-03
-
-JOB 307
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3081700000e-01 -3.4868000000e-02 -2.2044500000e-01 -4.4604800000e-01  3.1471000000e-02 -8.4633500000e-01 -9.9425000000e-01 -1.8977730000e+00  1.8471560000e+00 -8.0480100000e-01 -1.7845740000e+00  9.1574400000e-01 -1.2069190000e+00 -2.8266520000e+00  1.9376390000e+00
-ENERGY -1.526565956917e+02
-FORCES  3.2869000000e-03  2.8707000000e-03 -1.9216000000e-03 -4.8909000000e-03 -2.9830000000e-04  5.7480000000e-04  1.7416000000e-03 -2.5561000000e-03  4.9553000000e-03  2.2158000000e-03  2.9126000000e-03 -5.8101000000e-03 -3.8198000000e-03 -6.9858000000e-03  3.9668000000e-03  1.4663000000e-03  4.0570000000e-03 -1.7651000000e-03
-
-JOB 308
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1551400000e-01 -1.7992900000e-01 -2.1375800000e-01  3.9322000000e-02  6.8995000000e-01  6.6231000000e-01  2.4686170000e+00 -7.9591000000e-02 -6.2973900000e-01  2.9690290000e+00 -6.4354800000e-01 -4.0017000000e-02  2.9643910000e+00  7.3874600000e-01 -6.5738000000e-01
-ENERGY -1.526550149308e+02
-FORCES  2.4154300000e-02  1.5209000000e-03 -5.2517000000e-03 -5.5209000000e-03 -3.7511000000e-03  3.4369000000e-03  9.0600000000e-04 -1.2793000000e-03 -1.7255000000e-03 -1.3832000000e-02  4.3994000000e-03  4.2634000000e-03 -4.5270000000e-03  4.3127000000e-03 -2.2524000000e-03 -1.1804000000e-03 -5.2026000000e-03  1.5293000000e-03
-
-JOB 309
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1530000000e-03  9.5717700000e-01 -6.6060000000e-03  5.2785700000e-01 -2.4460300000e-01 -7.6011100000e-01  2.1126280000e+00  6.7324500000e-01  2.0434410000e+00  1.8968210000e+00  2.1687700000e-01  1.2301840000e+00  3.0393050000e+00  4.8158900000e-01  2.1875520000e+00
-ENERGY -1.526572309004e+02
-FORCES -2.5261000000e-03  4.4611000000e-03 -3.4105000000e-03  1.1881000000e-03 -5.6511000000e-03 -5.6460000000e-04 -4.1300000000e-05  1.1983000000e-03  5.8813000000e-03 -1.2932000000e-03 -4.3161000000e-03 -3.1937000000e-03  6.6433000000e-03  4.2081000000e-03  2.9787000000e-03 -3.9707000000e-03  9.9600000000e-05 -1.6913000000e-03
-
-JOB 310
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3078500000e-01 -1.7535000000e-01 -4.4190500000e-01 -1.7570900000e-01 -7.9417200000e-01  5.0462800000e-01  2.2060030000e+00 -2.3232900000e-01 -1.5997100000e+00  2.0498170000e+00  2.3818100000e-01 -2.4185250000e+00  2.9858600000e+00 -7.6018700000e-01 -1.7712380000e+00
-ENERGY -1.526607782575e+02
-FORCES  1.0411900000e-02 -3.5738000000e-03 -5.8706000000e-03 -7.8309000000e-03  1.5855000000e-03  4.6561000000e-03  1.5620000000e-03  1.8373000000e-03 -1.7623000000e-03 -2.8844000000e-03  3.1390000000e-04  8.2500000000e-05  2.2902000000e-03 -3.0403000000e-03  3.6225000000e-03 -3.5488000000e-03  2.8774000000e-03 -7.2810000000e-04
-
-JOB 311
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4540700000e-01 -3.6094800000e-01 -2.6690100000e-01 -5.9790900000e-01 -2.4070500000e-01 -7.0767100000e-01 -2.6743500000e-01 -1.3235750000e+00  2.5110920000e+00  4.5208200000e-01 -1.9349580000e+00  2.3538120000e+00 -3.5926500000e-01 -8.4410600000e-01  1.6877400000e+00
-ENERGY -1.526599173096e+02
-FORCES  1.6641000000e-03 -2.0104000000e-03 -3.2426000000e-03 -4.9457000000e-03  5.5690000000e-04  2.0276000000e-03  3.5605000000e-03  5.6020000000e-04  3.9996000000e-03  2.4189000000e-03  4.6966000000e-03 -1.1158000000e-02 -1.6351000000e-03  1.8996000000e-03 -8.1000000000e-05 -1.0627000000e-03 -5.7029000000e-03  8.4544000000e-03
-
-JOB 312
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4323600000e-01 -9.2054900000e-01  2.1978300000e-01 -8.0114000000e-02  4.3922600000e-01  8.4669600000e-01  2.7908740000e+00  1.8497000000e-01  1.8540000000e-02  1.8444690000e+00  2.2524300000e-01 -1.1903300000e-01  2.9512170000e+00  7.7226600000e-01  7.5719100000e-01
-ENERGY -1.526587643413e+02
-FORCES  2.9830000000e-04 -3.2222000000e-03  5.0361000000e-03  1.3127000000e-03  6.5793000000e-03 -1.4625000000e-03  3.4484000000e-03 -1.8680000000e-03 -4.9054000000e-03 -1.3021400000e-02  2.7013000000e-03 -5.3110000000e-04  1.0046500000e-02 -2.0658000000e-03  3.6195000000e-03 -2.0846000000e-03 -2.1248000000e-03 -1.7566000000e-03
-
-JOB 313
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5681000000e-01 -5.1617000000e-02  4.2360800000e-01 -8.9553000000e-02 -5.3506800000e-01 -7.8861500000e-01 -2.5339090000e+00 -1.3720000000e-02  1.0254380000e+00 -3.2691080000e+00  5.3124600000e-01  7.4485600000e-01 -2.8713480000e+00 -5.0475500000e-01  1.7746060000e+00
-ENERGY -1.526608108901e+02
-FORCES -1.3076700000e-02 -1.4686000000e-03  3.2619000000e-03  8.2771000000e-03 -7.3240000000e-04 -2.5406000000e-03 -2.2540000000e-04  1.5392000000e-03  2.0713000000e-03  2.4613000000e-03  1.4659000000e-03 -1.3051000000e-03  2.1374000000e-03 -3.7650000000e-03  2.5467000000e-03  4.2620000000e-04  2.9609000000e-03 -4.0342000000e-03
-
-JOB 314
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1201000000e-02  9.3256100000e-01 -2.1474000000e-01  7.0436200000e-01 -1.1547900000e-01  6.3778500000e-01  1.7576400000e-01  2.7021850000e+00  3.1530500000e-01  1.3729100000e-01  3.4614080000e+00 -2.6635800000e-01  7.8401700000e-01  2.9608670000e+00  1.0076520000e+00
-ENERGY -1.526583000115e+02
-FORCES  2.8556000000e-03  1.4590400000e-02  3.3314000000e-03 -9.3050000000e-04 -7.1996000000e-03 -3.2213000000e-03 -1.6258000000e-03 -5.6700000000e-05 -1.0730000000e-03  1.7850000000e-03 -2.5513000000e-03  1.6695000000e-03  5.9950000000e-04 -4.1156000000e-03  3.1753000000e-03 -2.6838000000e-03 -6.6730000000e-04 -3.8819000000e-03
-
-JOB 315
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4848000000e-01 -7.6658500000e-01  3.5699500000e-01  4.4507900000e-01 -3.2516200000e-01 -7.8256400000e-01  9.0916300000e-01 -1.7780060000e+00 -1.8645700000e+00  1.4093600000e-01 -1.9237370000e+00 -2.4166770000e+00  1.6543070000e+00 -1.9576810000e+00 -2.4379020000e+00
-ENERGY -1.526592515526e+02
-FORCES  5.6117000000e-03 -1.1850900000e-02 -7.6650000000e-03 -4.1410000000e-04  2.5766000000e-03 -5.9120000000e-04 -4.0262000000e-03  6.1795000000e-03  2.9284000000e-03 -8.6860000000e-04  9.4470000000e-04 -4.3890000000e-04  4.2605000000e-03  1.3902000000e-03  3.4746000000e-03 -4.5633000000e-03  7.5990000000e-04  2.2921000000e-03
-
-JOB 316
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1111800000e-01  4.5223300000e-01 -6.7117500000e-01  6.0658800000e-01  6.6399000000e-01  3.2771900000e-01 -1.6736720000e+00  6.2716000000e-01 -1.9782300000e+00 -1.4788230000e+00  1.5334620000e+00 -2.2167300000e+00 -1.3424140000e+00  1.0938200000e-01 -2.7119910000e+00
-ENERGY -1.526576940599e+02
-FORCES -1.0610300000e-02  4.0667000000e-03 -1.0778100000e-02  9.4234000000e-03  1.3278000000e-03  6.4675000000e-03 -3.4498000000e-03 -4.6340000000e-04 -3.3802000000e-03  4.0187000000e-03 -3.1227000000e-03 -5.5920000000e-04  2.0584000000e-03 -5.8292000000e-03  4.1584000000e-03 -1.4404000000e-03  4.0207000000e-03  4.0916000000e-03
-
-JOB 317
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6460000000e-01 -8.4328200000e-01  4.2191700000e-01 -6.5337000000e-02  6.3984800000e-01  7.0891300000e-01  2.7854410000e+00 -8.6433000000e-01  6.1669300000e-01  3.1294370000e+00 -1.6252810000e+00  1.4887600000e-01  1.8588270000e+00 -8.3487900000e-01  3.7846700000e-01
-ENERGY -1.526573089376e+02
-FORCES -3.5663000000e-03  2.7751000000e-03  4.8772000000e-03  6.7663000000e-03  3.7360000000e-03 -2.8560000000e-03  2.0130000000e-04 -3.9853000000e-03 -3.7141000000e-03 -5.7307000000e-03  1.2963000000e-03 -5.3674000000e-03 -2.4764000000e-03  2.5488000000e-03  1.5938000000e-03  4.8058000000e-03 -6.3709000000e-03  5.4665000000e-03
-
-JOB 318
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9139400000e-01 -5.1972800000e-01 -1.4074500000e-01 -3.6623300000e-01  1.2154400000e-01 -8.7597500000e-01 -1.5768180000e+00  1.2424000000e-01 -2.2216500000e+00 -2.2280690000e+00 -5.6518400000e-01 -2.0920360000e+00 -1.2750040000e+00  3.0850000000e-03 -3.1219060000e+00
-ENERGY -1.526603215103e+02
-FORCES -6.0389000000e-03  4.1870000000e-04 -1.2167600000e-02 -2.9662000000e-03  1.3729000000e-03 -1.1179000000e-03  6.8470000000e-03 -1.0904000000e-03  8.0949000000e-03 -4.6910000000e-04 -3.6514000000e-03  2.2944000000e-03  3.6457000000e-03  3.3894000000e-03 -2.2832000000e-03 -1.0184000000e-03 -4.3920000000e-04  5.1794000000e-03
-
-JOB 319
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0480000000e-02  9.5659600000e-01  1.5034000000e-02  3.0566000000e-02 -2.5366200000e-01  9.2247100000e-01  2.1275350000e+00  2.1642530000e+00  2.5617620000e+00  2.9149760000e+00  2.1690970000e+00  3.1059550000e+00  2.1272630000e+00  3.0197620000e+00  2.1324180000e+00
-ENERGY -1.526556528599e+02
-FORCES  1.3235000000e-03  3.4297000000e-03  5.2253000000e-03 -6.5520000000e-04 -3.3678000000e-03 -1.2296000000e-03 -1.2256000000e-03 -1.4820000000e-04 -4.2331000000e-03  4.3869000000e-03  3.5676000000e-03  8.6810000000e-04 -3.3279000000e-03  2.0690000000e-04 -2.1845000000e-03 -5.0170000000e-04 -3.6882000000e-03  1.5538000000e-03
-
-JOB 320
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1240600000e-01 -9.4640400000e-01 -8.8970000000e-02 -4.1100200000e-01  2.1277300000e-01  8.3787600000e-01 -1.9579050000e+00  1.0591890000e+00 -1.5149950000e+00 -1.2496890000e+00  7.8505400000e-01 -9.3231900000e-01 -1.9486510000e+00  2.0153160000e+00 -1.4706520000e+00
-ENERGY -1.526591732113e+02
-FORCES -4.6823000000e-03 -2.8393000000e-03 -1.3645000000e-03  8.0700000000e-05  5.6492000000e-03  1.2327000000e-03  1.4000000000e-05  4.0440000000e-04 -7.3277000000e-03  1.3747500000e-02 -4.6433000000e-03  7.4539000000e-03 -1.0344900000e-02  4.6507000000e-03 -1.7002000000e-03  1.1852000000e-03 -3.2217000000e-03  1.7058000000e-03
-
-JOB 321
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0381900000e-01 -3.0231000000e-01 -6.7841300000e-01 -8.0858000000e-02 -7.4317900000e-01  5.9781100000e-01 -2.3415860000e+00 -4.5732900000e-01 -1.5084470000e+00 -1.9206130000e+00 -1.6591400000e-01 -6.9968800000e-01 -1.9628630000e+00  9.8180000000e-02 -2.1897760000e+00
-ENERGY -1.526578105827e+02
-FORCES  7.5870000000e-04 -6.3521000000e-03 -4.5649000000e-03 -2.2066000000e-03  1.9617000000e-03  3.3387000000e-03 -1.5360000000e-03  4.0456000000e-03 -3.4368000000e-03  1.1345400000e-02  6.2184000000e-03  5.0759000000e-03 -7.1150000000e-03 -3.4299000000e-03 -1.0376000000e-03 -1.2465000000e-03 -2.4437000000e-03  6.2460000000e-04
-
-JOB 322
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5915600000e-01  5.8068300000e-01 -5.2161000000e-02 -9.2933000000e-02 -4.4124800000e-01  8.4433100000e-01 -3.9964300000e-01 -1.2229820000e+00  2.3122070000e+00  2.1481100000e-01 -7.0269200000e-01  2.8298720000e+00 -3.5106300000e-01 -2.1001090000e+00  2.6923650000e+00
-ENERGY -1.526583191899e+02
-FORCES -5.7782000000e-03 -8.9158000000e-03  1.3315500000e-02  2.0768000000e-03 -1.5948000000e-03  1.1126000000e-03  4.2003000000e-03  8.0106000000e-03 -2.5490000000e-03  2.4210000000e-03 -1.0360000000e-04 -6.5118000000e-03 -3.2114000000e-03 -2.7539000000e-03 -5.5608000000e-03  2.9160000000e-04  5.3576000000e-03  1.9340000000e-04
-
-JOB 323
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4456000000e-02  7.5622800000e-01 -5.8580200000e-01 -1.3863800000e-01  3.7594100000e-01  8.6929800000e-01 -2.5722660000e+00 -1.0455730000e+00 -4.8278000000e-01 -1.7522680000e+00 -5.9065800000e-01 -2.9071600000e-01 -2.5606730000e+00 -1.1708070000e+00 -1.4316820000e+00
-ENERGY -1.526595409163e+02
-FORCES  1.0043000000e-03  3.3606000000e-03  1.5050000000e-03 -2.4114000000e-03 -4.9931000000e-03  2.8891000000e-03 -1.3782000000e-03 -2.3898000000e-03 -6.0083000000e-03  1.3387200000e-02  2.8895000000e-03 -6.8760000000e-04 -1.0818600000e-02 -3.5000000000e-05 -2.7340000000e-04  2.1670000000e-04  1.1678000000e-03  2.5752000000e-03
-
-JOB 324
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0381000000e-01  6.5050500000e-01  6.9447700000e-01 -8.8253600000e-01 -3.4232100000e-01 -1.4205100000e-01  1.6427100000e+00  1.2473100000e+00 -1.9052580000e+00  2.3613370000e+00  7.5694600000e-01 -2.3044460000e+00  1.2872550000e+00  6.5525700000e-01 -1.2424180000e+00
-ENERGY -1.526613113018e+02
-FORCES -3.5523000000e-03  2.8123000000e-03 -1.4381000000e-03  1.1810000000e-04 -3.5328000000e-03 -3.5256000000e-03  3.4750000000e-03  1.7331000000e-03  2.3121000000e-03 -4.7730000000e-03 -6.5542000000e-03  5.9573000000e-03 -2.9687000000e-03  4.9380000000e-04  1.9531000000e-03  7.7009000000e-03  5.0478000000e-03 -5.2588000000e-03
-
-JOB 325
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5985900000e-01 -9.4347900000e-01  2.2879000000e-02 -3.9475100000e-01  2.9042300000e-01 -8.2222700000e-01 -1.3009240000e+00 -2.9806610000e+00  4.0044000000e-01 -2.1491980000e+00 -2.6050490000e+00  1.6468900000e-01 -1.4741440000e+00 -3.9158860000e+00  5.0806100000e-01
-ENERGY -1.526588343644e+02
-FORCES -1.2984000000e-03 -5.1391000000e-03 -2.2547000000e-03  7.2450000000e-04  8.3435000000e-03 -1.4973000000e-03  7.4700000000e-04 -1.1360000000e-03  3.1468000000e-03 -4.4353000000e-03 -4.8574000000e-03  9.7510000000e-04  4.6896000000e-03 -1.3151000000e-03  1.3710000000e-04 -4.2750000000e-04  4.1041000000e-03 -5.0700000000e-04
-
-JOB 326
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2688400000e-01  3.4195100000e-01 -5.2051900000e-01  6.8846300000e-01 -1.8197300000e-01 -6.3963700000e-01  6.0569400000e-01  1.8598290000e+00  1.8458970000e+00  4.1001500000e-01  1.2421550000e+00  1.1413260000e+00  9.6467400000e-01  2.6268720000e+00  1.3997930000e+00
-ENERGY -1.526594018439e+02
-FORCES  1.1803000000e-03  3.0546000000e-03  3.3360000000e-04  5.4160000000e-03 -5.3240000000e-04  2.9372000000e-03 -4.1875000000e-03  2.3752000000e-03  3.1025000000e-03 -2.6830000000e-03 -1.0827100000e-02 -1.1904100000e-02  1.6287000000e-03  9.1870000000e-03  5.8711000000e-03 -1.3545000000e-03 -3.2572000000e-03 -3.4030000000e-04
-
-JOB 327
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6795500000e-01 -4.1312000000e-01 -6.5037700000e-01 -3.0647600000e-01  9.0566500000e-01  4.5560000000e-02 -3.4938080000e+00  7.5664000000e-02 -5.8973800000e-01 -2.7870600000e+00  1.4083500000e-01 -1.2319930000e+00 -4.2946950000e+00  7.0173000000e-02 -1.1139340000e+00
-ENERGY -1.526524771556e+02
-FORCES -4.2900000000e-03  1.5981000000e-03 -4.3400000000e-04  1.5164000000e-03  2.9671000000e-03  7.9000000000e-04  1.8325000000e-03 -3.9552000000e-03 -1.3660000000e-03 -2.2344000000e-03  1.2980000000e-04 -5.0790000000e-03 -4.9870000000e-04 -7.9630000000e-04  3.5637000000e-03  3.6743000000e-03  5.6600000000e-05  2.5253000000e-03
-
-JOB 328
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2280300000e-01  8.4382800000e-01 -1.5944500000e-01 -3.2557700000e-01  6.0599000000e-02  8.9808600000e-01 -8.6393700000e-01  7.8977800000e-01  2.5149890000e+00 -3.3557900000e-01  3.6408500000e-01  3.1901590000e+00 -1.7666270000e+00  5.6218900000e-01  2.7376660000e+00
-ENERGY -1.526605518232e+02
-FORCES -3.7732000000e-03  7.6449000000e-03  1.2549100000e-02 -4.6820000000e-04 -2.4821000000e-03 -2.9820000000e-04  3.0076000000e-03 -5.6634000000e-03 -7.1506000000e-03 -1.1812000000e-03 -1.2843000000e-03  8.9610000000e-04 -3.0445000000e-03  1.4420000000e-03 -4.8798000000e-03  5.4595000000e-03  3.4290000000e-04 -1.1167000000e-03
-
-JOB 329
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1693100000e-01  1.3650900000e-01  2.3839900000e-01 -7.6141000000e-02 -9.4535000000e-01 -1.2941100000e-01 -9.8990000000e-01  2.1061430000e+00  2.1604290000e+00 -1.2051890000e+00  2.8651310000e+00  2.7024810000e+00 -3.0566200000e-01  2.4198600000e+00  1.5691330000e+00
-ENERGY -1.526529384501e+02
-FORCES  2.0754000000e-03 -4.6590000000e-03  1.8507000000e-03 -3.8634000000e-03  1.0307000000e-03 -1.1652000000e-03  5.6390000000e-04  3.7906000000e-03  1.3290000000e-04  1.9861000000e-03  3.5299000000e-03 -2.3610000000e-03  7.2520000000e-04 -3.6804000000e-03 -2.3744000000e-03 -1.4873000000e-03 -1.1800000000e-05  3.9170000000e-03
-
-JOB 330
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5467000000e-01 -4.2986900000e-01  4.0239000000e-01  3.8323200000e-01 -6.6920200000e-01 -5.6704000000e-01  2.4694000000e-01  2.4927510000e+00  9.9473600000e-01  4.3555800000e-01  1.7056430000e+00  4.8374200000e-01  4.5936800000e-01  3.2173840000e+00  4.0650600000e-01
-ENERGY -1.526601484766e+02
-FORCES -2.4378000000e-03  2.5309000000e-03  3.4621000000e-03  4.1491000000e-03 -2.4690000000e-04 -3.2998000000e-03 -2.6326000000e-03  2.8095000000e-03  2.6821000000e-03 -3.1670000000e-04 -1.0170400000e-02 -6.2237000000e-03  1.5174000000e-03  8.5873000000e-03  2.6886000000e-03 -2.7940000000e-04 -3.5105000000e-03  6.9080000000e-04
-
-JOB 331
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2074700000e-01  8.6526600000e-01  3.9110900000e-01  9.8147000000e-02 -6.0974200000e-01  7.3131000000e-01  2.0650070000e+00 -5.2021200000e-01 -1.7449300000e+00  2.2752730000e+00 -1.2672240000e+00 -1.1845780000e+00  1.2828940000e+00 -1.3583000000e-01 -1.3489750000e+00
-ENERGY -1.526583501587e+02
-FORCES  4.7707000000e-03 -1.6651000000e-03  2.1276000000e-03  4.5880000000e-04 -4.9797000000e-03 -2.7897000000e-03  4.2300000000e-05  3.3382000000e-03 -3.4250000000e-03 -1.1829400000e-02  4.8600000000e-05  1.1122600000e-02  2.9160000000e-04  1.3085000000e-03 -1.2244000000e-03  6.2660000000e-03  1.9494000000e-03 -5.8111000000e-03
-
-JOB 332
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6100400000e-01 -2.8953100000e-01  8.3790200000e-01 -4.9775200000e-01 -4.8686200000e-01 -6.5684100000e-01  2.3625530000e+00 -8.6452300000e-01 -4.2857800000e-01  1.5438790000e+00 -4.6512300000e-01 -1.3449500000e-01  2.0909560000e+00 -1.5342100000e+00 -1.0562620000e+00
-ENERGY -1.526544890365e+02
-FORCES  1.1600800000e-02 -8.0065000000e-03 -3.5329000000e-03  3.1845000000e-03  4.4130000000e-04 -5.5640000000e-03  3.7460000000e-03  1.2907000000e-03  4.2714000000e-03 -2.4399200000e-02  8.2381000000e-03  3.2990000000e-03  6.8312000000e-03 -3.8208000000e-03  1.9340000000e-04 -9.6320000000e-04  1.8574000000e-03  1.3331000000e-03
-
-JOB 333
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8114600000e-01 -7.0825300000e-01  4.2791200000e-01 -3.8351500000e-01  8.0085300000e-01  3.5746600000e-01 -1.9936200000e+00 -6.5640000000e-01 -2.0652440000e+00 -2.4205430000e+00  1.0496600000e-01 -2.4580420000e+00 -1.3331180000e+00 -2.8577400000e-01 -1.4799200000e+00
-ENERGY -1.526597938242e+02
-FORCES -9.8570000000e-04 -6.1200000000e-04  6.6428000000e-03  1.4395000000e-03  4.9079000000e-03 -4.6807000000e-03  5.8320000000e-04 -4.4214000000e-03 -3.9160000000e-03  6.8382000000e-03  4.9803000000e-03  3.2985000000e-03  1.9476000000e-03 -1.9245000000e-03  2.3157000000e-03 -9.8229000000e-03 -2.9304000000e-03 -3.6604000000e-03
-
-JOB 334
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3582000000e-02  9.4285400000e-01 -1.6165000000e-01 -7.6614800000e-01 -3.0019100000e-01 -4.8901300000e-01  4.3239300000e-01 -3.9581370000e+00 -1.7062100000e-01 -1.9436500000e-01 -3.7633230000e+00 -8.6736600000e-01  2.5784800000e-01 -3.2983790000e+00  5.0056200000e-01
-ENERGY -1.526546747304e+02
-FORCES -2.3742000000e-03  4.2110000000e-03 -2.9258000000e-03 -3.6140000000e-04 -3.9818000000e-03  5.5150000000e-04  3.2093000000e-03  1.1320000000e-04  2.3762000000e-03 -2.2776000000e-03  4.5781000000e-03  2.9910000000e-04  1.9795000000e-03 -7.7510000000e-04  2.6034000000e-03 -1.7560000000e-04 -4.1454000000e-03 -2.9044000000e-03
-
-JOB 335
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1220000000e-03 -8.8465800000e-01 -3.6543900000e-01 -9.2425700000e-01  2.3808100000e-01  7.2796000000e-02  1.5730800000e+00  1.1965480000e+00  2.2164730000e+00  7.3770900000e-01  9.3969100000e-01  1.8260730000e+00  1.6954430000e+00  5.8687300000e-01  2.9441800000e+00
-ENERGY -1.526569517764e+02
-FORCES -1.1846000000e-03 -4.1411000000e-03 -3.5009000000e-03 -8.2390000000e-04  4.1932000000e-03  1.3183000000e-03  5.5103000000e-03 -6.6560000000e-04  2.1284000000e-03 -4.3605000000e-03 -6.0161000000e-03 -4.1088000000e-03  1.2979000000e-03  4.7760000000e-03  6.7910000000e-03 -4.3920000000e-04  1.8537000000e-03 -2.6280000000e-03
-
-JOB 336
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3567400000e-01 -8.8197500000e-01 -2.8776700000e-01 -4.4615200000e-01  1.0551400000e-01  8.4026600000e-01 -1.8942810000e+00  1.5694600000e-01  2.0181330000e+00 -2.7039540000e+00 -3.4850000000e-03  1.5334450000e+00 -1.8061610000e+00 -6.0117900000e-01  2.5958120000e+00
-ENERGY -1.526591251441e+02
-FORCES -1.0092200000e-02 -1.0025000000e-03  1.0274400000e-02  3.8100000000e-05  2.3448000000e-03  9.8620000000e-04  7.6707000000e-03 -1.8293000000e-03 -5.9549000000e-03 -2.4726000000e-03 -2.3086000000e-03 -3.5056000000e-03  4.2924000000e-03 -4.9880000000e-04  3.1505000000e-03  5.6350000000e-04  3.2944000000e-03 -4.9505000000e-03
-
-JOB 337
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9148900000e-01 -5.3212700000e-01 -6.2570900000e-01 -4.1839600000e-01 -1.7342900000e-01  8.4326700000e-01 -8.1962800000e-01 -1.6770710000e+00 -2.0554350000e+00 -2.7159500000e-01 -2.3993540000e+00 -1.7485170000e+00 -2.1343400000e-01 -1.0923390000e+00 -2.5102420000e+00
-ENERGY -1.526599440843e+02
-FORCES -7.6407000000e-03 -7.7076000000e-03 -6.5343000000e-03  7.1901000000e-03  6.5215000000e-03  4.8358000000e-03  1.0077000000e-03 -7.8120000000e-04 -3.2312000000e-03  6.7976000000e-03 -7.8260000000e-04 -6.6640000000e-04 -3.2670000000e-03  4.7082000000e-03 -4.3050000000e-04 -4.0877000000e-03 -1.9583000000e-03  6.0266000000e-03
-
-JOB 338
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1080100000e-01  7.2202800000e-01  6.1857100000e-01  2.8406800000e-01 -7.7583300000e-01  4.8334300000e-01  1.7977150000e+00  3.4347800000e-01 -2.0029400000e+00  1.1701510000e+00  2.9156700000e-01 -1.2820380000e+00  1.3045100000e+00  7.3730400000e-01 -2.7225800000e+00
-ENERGY -1.526607379350e+02
-FORCES  3.8503000000e-03 -1.0705000000e-03  4.0680000000e-04  6.6830000000e-04 -4.1300000000e-03 -4.3403000000e-03 -9.6790000000e-04  5.2176000000e-03 -2.3695000000e-03 -1.2868500000e-02 -1.6700000000e-03  9.7664000000e-03  8.5803000000e-03  2.3867000000e-03 -6.1559000000e-03  7.3760000000e-04 -7.3370000000e-04  2.6925000000e-03
-
-JOB 339
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3832400000e-01  1.5524800000e-01  4.3513600000e-01 -6.5732300000e-01  2.5263100000e-01  6.4833300000e-01  1.5443740000e+00 -5.5979100000e-01 -2.5457700000e+00  1.3551330000e+00 -1.4600260000e+00 -2.8103400000e+00  1.0325110000e+00 -4.3173100000e-01 -1.7471280000e+00
-ENERGY -1.526599299010e+02
-FORCES -1.9790000000e-03  2.5170000000e-03  4.5989000000e-03 -4.1815000000e-03 -1.3995000000e-03 -3.8919000000e-03  3.8192000000e-03 -9.9070000000e-04 -1.4636000000e-03 -6.3644000000e-03 -1.9666000000e-03  4.0359000000e-03  8.1640000000e-04  2.9154000000e-03  7.2070000000e-04  7.8893000000e-03 -1.0756000000e-03 -3.9999000000e-03
-
-JOB 340
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4094100000e-01 -1.1135700000e-01 -5.9568300000e-01 -3.2182600000e-01 -3.1469100000e-01  8.4476600000e-01  7.2500000000e-03  1.2159700000e+00 -3.4980580000e+00 -2.8890000000e-01  1.3426430000e+00 -4.3994360000e+00  2.3072000000e-02  2.0971560000e+00 -3.1245720000e+00
-ENERGY -1.526553412870e+02
-FORCES -4.1786000000e-03 -2.2196000000e-03 -3.6900000000e-04  2.3677000000e-03  4.2460000000e-04  4.5311000000e-03  1.3034000000e-03  1.3159000000e-03 -3.4592000000e-03  1.5880000000e-04  4.7614000000e-03 -2.4183000000e-03  1.1565000000e-03 -5.7880000000e-04  3.8698000000e-03 -8.0770000000e-04 -3.7035000000e-03 -2.1543000000e-03
-
-JOB 341
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0885800000e-01  7.8403600000e-01 -3.6654400000e-01  8.2193400000e-01  3.1244200000e-01  3.7820100000e-01 -1.0324110000e+00  2.2965620000e+00 -1.1283510000e+00 -1.2017380000e+00  1.8261470000e+00 -1.9446040000e+00 -4.1131500000e-01  2.9831320000e+00 -1.3714450000e+00
-ENERGY -1.526593433625e+02
-FORCES -3.2780000000e-03  1.4493100000e-02 -2.8438000000e-03  2.0371000000e-03 -1.0255500000e-02 -8.4540000000e-04 -2.0394000000e-03 -4.9190000000e-04 -1.4181000000e-03  3.6247000000e-03 -7.0030000000e-04 -2.4241000000e-03  2.7492000000e-03  8.7010000000e-04  6.7012000000e-03 -3.0936000000e-03 -3.9154000000e-03  8.3020000000e-04
-
-JOB 342
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0967100000e-01 -9.0618300000e-01 -2.8815900000e-01  8.9602100000e-01  2.2477900000e-01 -2.5070500000e-01  2.9624300000e-01 -2.4832280000e+00  2.9396120000e+00  1.0137810000e+00 -2.7057970000e+00  2.3464560000e+00 -4.9695100000e-01 -2.6668910000e+00  2.4362810000e+00
-ENERGY -1.526526624088e+02
-FORCES  3.5045000000e-03 -2.0026000000e-03 -1.7890000000e-03  3.6400000000e-04  2.9986000000e-03  1.6981000000e-03 -3.7599000000e-03 -1.2083000000e-03  8.6420000000e-04 -7.0600000000e-04 -1.8610000000e-04 -4.4803000000e-03 -2.8483000000e-03  5.0330000000e-04  2.0222000000e-03  3.4458000000e-03 -1.0490000000e-04  1.6847000000e-03
-
-JOB 343
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2076800000e-01 -1.6189800000e-01 -2.0544200000e-01  1.8714000000e-02  9.0018000000e-01  3.2489700000e-01  4.3594300000e-01  2.1791160000e+00 -2.1607220000e+00 -4.0220900000e-01  2.0007370000e+00 -2.5872350000e+00  2.5493100000e-01  2.0820370000e+00 -1.2258200000e+00
-ENERGY -1.526489823891e+02
-FORCES -3.2673000000e-03  1.8677000000e-03 -9.9200000000e-05  4.4045000000e-03  1.5369000000e-03  3.4730000000e-04  2.9810000000e-04 -6.4010000000e-04 -6.2611000000e-03 -4.0186000000e-03 -6.2184000000e-03  2.9715000000e-03  3.0437000000e-03  1.2416000000e-03  1.6265000000e-03 -4.6040000000e-04  2.2122000000e-03  1.4150000000e-03
-
-JOB 344
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2255300000e-01  2.2177300000e-01 -1.2627000000e-01  4.7620400000e-01  6.5346200000e-01 -5.1229800000e-01 -2.6757570000e+00 -4.9088800000e-01  1.5574900000e-01 -2.7632070000e+00 -1.2595230000e+00  7.1947300000e-01 -2.8498310000e+00 -8.1918300000e-01 -7.2638000000e-01
-ENERGY -1.526592181705e+02
-FORCES -1.0704500000e-02 -1.6100000000e-05  1.4526000000e-03  9.3678000000e-03  2.5524000000e-03 -4.2563000000e-03 -4.2042000000e-03 -2.1231000000e-03  9.1200000000e-04  4.6971000000e-03 -6.2266000000e-03  1.3386000000e-03 -1.5109000000e-03  3.1021000000e-03 -3.4440000000e-03  2.3548000000e-03  2.7113000000e-03  3.9971000000e-03
-
-JOB 345
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2573700000e-01  3.7526000000e-02  2.4048900000e-01 -4.4529600000e-01 -2.7423200000e-01  8.0171000000e-01  1.0304830000e+00  1.0906610000e+00 -2.9535810000e+00  9.0694700000e-01  1.6178370000e+00 -3.7429200000e+00  1.3855420000e+00  2.6086100000e-01 -3.2723260000e+00
-ENERGY -1.526528228094e+02
-FORCES  2.8451000000e-03  2.1850000000e-04  3.6757000000e-03 -3.8897000000e-03 -1.2640000000e-03 -2.8010000000e-04  1.5953000000e-03  1.3190000000e-03 -3.7479000000e-03 -3.6800000000e-04 -1.8278000000e-03 -4.3962000000e-03  4.2150000000e-04 -2.1455000000e-03  3.4009000000e-03 -6.0420000000e-04  3.6999000000e-03  1.3476000000e-03
-
-JOB 346
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6962100000e-01 -8.4780000000e-02  8.7887700000e-01  4.0645000000e-01 -7.0744300000e-01 -5.0055400000e-01  9.4598100000e-01 -1.8884540000e+00 -1.6152940000e+00  1.8850690000e+00 -2.0584520000e+00 -1.5414930000e+00  6.5455800000e-01 -2.4566030000e+00 -2.3283940000e+00
-ENERGY -1.526586113007e+02
-FORCES  4.3372000000e-03 -1.1361600000e-02 -8.2259000000e-03  3.7920000000e-04 -1.0695000000e-03 -3.5349000000e-03  7.8430000000e-04  5.6660000000e-03  6.5395000000e-03 -4.2446000000e-03  4.4430000000e-03  2.1821000000e-03 -5.2643000000e-03  6.4120000000e-04  1.4200000000e-04  4.0083000000e-03  1.6809000000e-03  2.8972000000e-03
-
-JOB 347
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5350400000e-01  5.7316500000e-01  7.5109900000e-01 -1.1570800000e-01 -8.8500000000e-01  3.4585900000e-01 -7.0602700000e-01  1.3930540000e+00  2.1381650000e+00 -1.6165320000e+00  1.3123460000e+00  2.4222420000e+00 -6.7644200000e-01  2.2215880000e+00  1.6597420000e+00
-ENERGY -1.526570867726e+02
-FORCES -5.2170000000e-03  6.0823000000e-03  1.8378800000e-02  3.1201000000e-03  2.7517000000e-03 -8.8250000000e-03 -3.5290000000e-04  1.9715000000e-03 -9.8060000000e-04 -2.9663000000e-03 -3.9608000000e-03 -7.3327000000e-03  4.8578000000e-03  1.2708000000e-03 -1.1538000000e-03  5.5820000000e-04 -8.1156000000e-03 -8.6700000000e-05
-
-JOB 348
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3962800000e-01  1.6846000000e-01  7.0374000000e-02 -6.6093000000e-02 -7.4588800000e-01 -5.9625000000e-01 -1.0570510000e+00  1.5690220000e+00 -1.9145780000e+00 -4.3965600000e-01  1.4975820000e+00 -2.6425560000e+00 -7.5607000000e-01  9.1872600000e-01 -1.2799470000e+00
-ENERGY -1.526559502841e+02
-FORCES  2.8034000000e-03  3.0394000000e-03 -3.4774000000e-03 -5.1369000000e-03 -1.8001000000e-03 -1.4584000000e-03 -1.0402000000e-03  9.1976000000e-03 -3.3500000000e-04  8.0137000000e-03 -8.2471000000e-03  1.2068700000e-02 -9.1940000000e-04 -1.2279000000e-03  3.3918000000e-03 -3.7206000000e-03 -9.6200000000e-04 -1.0189600000e-02
-
-JOB 349
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9219800000e-01  8.3129000000e-01  2.6715100000e-01 -7.4425700000e-01 -5.9131600000e-01 -1.1251000000e-01 -2.4488570000e+00 -1.2733830000e+00  6.1840000000e-02 -2.1468240000e+00 -2.0962010000e+00  4.4651800000e-01 -3.1893820000e+00 -1.0104950000e+00  6.0841400000e-01
-ENERGY -1.526582212226e+02
-FORCES -1.5486200000e-02 -2.3606000000e-03  3.9290000000e-04  1.9308000000e-03 -1.2713000000e-03 -2.4100000000e-04  8.4514000000e-03 -2.6497000000e-03  2.0250000000e-04  1.3552000000e-03  2.3602000000e-03  4.4686000000e-03  4.5740000000e-04  6.1510000000e-03 -2.4238000000e-03  3.2913000000e-03 -2.2296000000e-03 -2.3992000000e-03
-
-JOB 350
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5264900000e-01  1.2982800000e-01 -5.7697100000e-01 -7.7090000000e-03  7.6173300000e-01  5.7960000000e-01 -1.8364580000e+00  8.3799300000e-01 -1.8600570000e+00 -1.8557660000e+00  1.7290960000e+00 -2.2090470000e+00 -1.4556520000e+00  3.1280400000e-01 -2.5638990000e+00
-ENERGY -1.526589385700e+02
-FORCES -1.1068100000e-02  8.1319000000e-03 -6.9355000000e-03  5.9264000000e-03 -6.7609000000e-03  2.1161000000e-03  5.1840000000e-04 -1.7738000000e-03 -1.4004000000e-03  5.9910000000e-03  2.3954000000e-03 -3.3300000000e-05 -2.3460000000e-04 -4.5553000000e-03  5.4580000000e-04 -1.1332000000e-03  2.5628000000e-03  5.7073000000e-03
-
-JOB 351
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5538000000e-02 -7.4856400000e-01  5.9481900000e-01 -6.0842100000e-01 -2.1732800000e-01 -7.0627500000e-01  2.3342930000e+00  1.5068340000e+00 -5.6133800000e-01  3.0965360000e+00  1.2106910000e+00 -1.0588500000e+00  1.7033920000e+00  7.9132200000e-01 -6.4031300000e-01
-ENERGY -1.526598080813e+02
-FORCES -2.7326000000e-03 -2.2724000000e-03  1.8898000000e-03 -3.3820000000e-04  3.2731000000e-03 -3.6161000000e-03  4.1413000000e-03  6.3540000000e-04  3.2400000000e-03 -6.1998000000e-03 -5.9510000000e-03  9.3010000000e-04 -3.5981000000e-03 -2.5990000000e-04  1.7042000000e-03  8.7274000000e-03  4.5748000000e-03 -4.1481000000e-03
-
-JOB 352
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3574100000e-01 -5.8501700000e-01 -4.1209200000e-01 -5.2277100000e-01  5.4928300000e-01  5.8415000000e-01  1.7044900000e-01  2.7013400000e+00 -1.9481200000e+00  1.8691500000e-01  3.4790270000e+00 -2.5059410000e+00  5.3334400000e-01  2.0053300000e+00 -2.4959420000e+00
-ENERGY -1.526548630487e+02
-FORCES -5.2552000000e-03  2.2161000000e-03  1.0959000000e-03  2.8912000000e-03  2.1600000000e-03  1.0807000000e-03  1.8167000000e-03 -3.7506000000e-03 -1.1829000000e-03  2.6801000000e-03 -1.3784000000e-03 -4.0886000000e-03 -2.3710000000e-04 -3.3678000000e-03  2.6322000000e-03 -1.8956000000e-03  4.1208000000e-03  4.6270000000e-04
-
-JOB 353
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5476800000e-01  2.3065300000e-01  8.9337800000e-01 -3.3882700000e-01 -8.8647100000e-01 -1.2488700000e-01 -8.9248100000e-01  1.9175990000e+00 -1.6016660000e+00 -2.3409800000e-01  1.9651290000e+00 -2.2948500000e+00 -6.3244800000e-01  1.1617090000e+00 -1.0751250000e+00
-ENERGY -1.526599673346e+02
-FORCES -3.9849000000e-03  4.3896000000e-03 -1.5772000000e-03  5.8450000000e-04 -2.1324000000e-03 -5.4603000000e-03  1.2910000000e-03  5.4585000000e-03  7.8850000000e-04  8.4170000000e-03 -1.3359200000e-02  9.5378000000e-03 -1.5012000000e-03 -1.1309000000e-03  2.0074000000e-03 -4.8064000000e-03  6.7745000000e-03 -5.2962000000e-03
-
-JOB 354
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7082800000e-01  9.2265800000e-01 -1.8908000000e-01 -3.0045500000e-01 -4.6466200000e-01 -7.8105600000e-01  2.6235110000e+00 -1.5693700000e-01  9.0767300000e-01  1.8477520000e+00 -2.5449600000e-01  3.5548500000e-01  2.7748550000e+00  7.8751700000e-01  9.4420000000e-01
-ENERGY -1.526583835875e+02
-FORCES -7.9420000000e-04  2.6261000000e-03 -7.3770000000e-04  1.9616000000e-03 -4.9193000000e-03  5.4770000000e-04  3.1138000000e-03  2.7409000000e-03  4.1293000000e-03 -1.3040300000e-02  2.9725000000e-03 -4.0275000000e-03  9.5388000000e-03 -1.1247000000e-03  3.5330000000e-04 -7.7970000000e-04 -2.2954000000e-03 -2.6510000000e-04
-
-JOB 355
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6428200000e-01 -2.5048900000e-01 -8.4899100000e-01  2.0359500000e-01  9.3081900000e-01 -9.1415000000e-02  2.8703500000e-01 -2.4195120000e+00  1.4864890000e+00  6.1228100000e-01 -3.0528340000e+00  8.4668500000e-01  3.9408400000e-01 -1.5698460000e+00  1.0588910000e+00
-ENERGY -1.526604525078e+02
-FORCES -1.1344000000e-03  1.3890000000e-03 -1.6316000000e-03  2.6916000000e-03  1.5616000000e-03  3.7644000000e-03 -1.7898000000e-03 -4.2316000000e-03 -9.7600000000e-04  9.6190000000e-04  7.6893000000e-03 -5.8893000000e-03 -1.5472000000e-03  2.3810000000e-03  1.1927000000e-03  8.1780000000e-04 -8.7893000000e-03  3.5397000000e-03
-
-JOB 356
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1972100000e-01 -1.6214200000e-01  2.0989400000e-01 -4.7577900000e-01 -2.6149800000e-01  7.8834300000e-01  2.6185310000e+00 -5.9808100000e-01  5.2557600000e-01  2.6010520000e+00 -1.5203420000e+00  7.8123500000e-01  3.0772300000e+00 -5.9057900000e-01 -3.1452600000e-01
-ENERGY -1.526603706968e+02
-FORCES  1.4169700000e-02 -2.4670000000e-03  5.6074000000e-03 -1.0498000000e-02  7.5750000000e-04 -3.2370000000e-03  2.4144000000e-03 -2.7140000000e-04 -1.9438000000e-03 -1.7791000000e-03 -2.6377000000e-03 -3.4271000000e-03 -1.0186000000e-03  5.2582000000e-03 -1.6741000000e-03 -3.2884000000e-03 -6.3960000000e-04  4.6746000000e-03
-
-JOB 357
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8223900000e-01  4.8373500000e-01 -7.3220600000e-01 -6.9297300000e-01 -2.3601000000e-02  6.5989600000e-01 -1.2676600000e-01 -2.3844910000e+00 -1.6049780000e+00  4.5102100000e-01 -2.3613010000e+00 -2.3677730000e+00  9.3836000000e-02 -1.5937820000e+00 -1.1126910000e+00
-ENERGY -1.526607042393e+02
-FORCES -5.8445000000e-03  1.5989000000e-03  1.6644000000e-03  2.7764000000e-03 -4.9918000000e-03  2.7093000000e-03  3.3346000000e-03  1.0121000000e-03 -3.6370000000e-03  3.6019000000e-03  7.3272000000e-03  5.4883000000e-03 -2.0022000000e-03  1.5784000000e-03  2.7946000000e-03 -1.8662000000e-03 -6.5248000000e-03 -9.0196000000e-03
-
-JOB 358
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6563800000e-01 -8.7145000000e-01 -1.5203500000e-01  2.3260200000e-01  4.9792300000e-01 -7.8371000000e-01  7.3667800000e-01 -2.6796470000e+00  2.2506800000e-01  7.0404500000e-01 -3.4383740000e+00 -3.5759800000e-01  1.2478000000e-01 -2.8918400000e+00  9.2989900000e-01
-ENERGY -1.526614447356e+02
-FORCES  4.5191000000e-03 -9.5795000000e-03 -1.6932000000e-03 -3.5223000000e-03  1.0130100000e-02 -8.6200000000e-05 -2.4310000000e-04 -2.8889000000e-03  1.8080000000e-03 -3.7601000000e-03 -1.2417000000e-03  1.2009000000e-03 -2.4490000000e-04  3.2814000000e-03  3.2292000000e-03  3.2513000000e-03  2.9860000000e-04 -4.4588000000e-03
-
-JOB 359
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2915800000e-01  1.3437700000e-01  7.8623600000e-01  3.2763000000e-01  8.7188800000e-01 -2.2068400000e-01 -1.0926880000e+00 -6.4049900000e-01  2.3135520000e+00 -9.1640700000e-01 -1.5675270000e+00  2.4741010000e+00 -2.0413060000e+00 -5.5640200000e-01  2.4098960000e+00
-ENERGY -1.526585991062e+02
-FORCES -5.1920000000e-03 -2.6287000000e-03  1.3062100000e-02  1.3533000000e-03  5.1068000000e-03 -8.6238000000e-03 -2.3769000000e-03 -2.4079000000e-03  3.0676000000e-03  3.8742000000e-03 -4.5751000000e-03 -6.4821000000e-03 -2.8412000000e-03  4.3435000000e-03  1.1303000000e-03  5.1826000000e-03  1.6130000000e-04 -2.1541000000e-03
-
-JOB 360
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6864700000e-01 -1.8382100000e-01 -8.6402600000e-01  9.4726700000e-01 -5.2489000000e-02 -1.2713000000e-01  1.3053260000e+00  8.1062200000e-01 -3.9961670000e+00  1.8936160000e+00  9.7179900000e-01 -4.7338450000e+00  1.6464600000e+00  1.3622330000e+00 -3.2921900000e+00
-ENERGY -1.526552943454e+02
-FORCES  1.8976000000e-03 -1.8989000000e-03 -4.5068000000e-03  1.4769000000e-03  1.1096000000e-03  4.4590000000e-03 -3.5394000000e-03  9.6260000000e-04  6.7430000000e-04  3.9791000000e-03  3.5502000000e-03 -1.3996000000e-03 -2.3607000000e-03 -5.6920000000e-04  3.2064000000e-03 -1.4535000000e-03 -3.1543000000e-03 -2.4334000000e-03
-
-JOB 361
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1626200000e-01 -7.2237900000e-01  1.2092200000e-01 -5.3574900000e-01  7.8889700000e-01  8.2737000000e-02 -1.2836210000e+00  2.1664380000e+00  5.5228200000e-01 -8.8930200000e-01  2.4062140000e+00  1.3908830000e+00 -2.1639610000e+00  1.8660950000e+00  7.7817500000e-01
-ENERGY -1.526561961058e+02
-FORCES -1.2240800000e-02  1.9094800000e-02  3.6026000000e-03 -1.6410000000e-04  4.0491000000e-03  5.0130000000e-04  2.9668000000e-03 -9.6514000000e-03 -1.8740000000e-04  6.2367000000e-03 -1.0349300000e-02  2.1732000000e-03 -3.2622000000e-03 -2.0222000000e-03 -4.7173000000e-03  6.4636000000e-03 -1.1209000000e-03 -1.3723000000e-03
-
-JOB 362
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5699500000e-01  3.9286900000e-01  6.7204400000e-01 -8.3710600000e-01 -1.4959900000e-01  4.3943700000e-01  1.3973700000e+00  1.1861620000e+00  2.0685920000e+00  1.0806650000e+00  7.6240100000e-01  2.8663110000e+00  1.0688570000e+00  2.0833370000e+00  2.1267950000e+00
-ENERGY -1.526598472001e+02
-FORCES  6.3493000000e-03  5.8140000000e-03  1.2044500000e-02 -6.4984000000e-03 -4.1272000000e-03 -7.4734000000e-03  2.6610000000e-03  8.0800000000e-04 -2.7960000000e-04 -3.3719000000e-03  7.7110000000e-04  1.0507000000e-03  1.5150000000e-04  2.4743000000e-03 -5.1772000000e-03  7.0850000000e-04 -5.7401000000e-03 -1.6500000000e-04
-
-JOB 363
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2366900000e-01  3.3677000000e-01 -3.5268400000e-01 -8.7364000000e-02  4.2506200000e-01  8.5318300000e-01  7.6039900000e-01 -2.5608350000e+00  1.0599980000e+00  1.4684430000e+00 -2.1820320000e+00  1.5809720000e+00  2.1239200000e-01 -1.8134840000e+00  8.2044400000e-01
-ENERGY -1.526579165033e+02
-FORCES  5.1369000000e-03  2.4868000000e-03 -5.3880000000e-04 -4.1584000000e-03 -7.8370000000e-04  2.7647000000e-03  1.5776000000e-03 -5.4650000000e-03 -3.3798000000e-03 -1.6286000000e-03  1.1095500000e-02 -3.8639000000e-03 -2.0366000000e-03 -6.6650000000e-04 -1.5317000000e-03  1.1090000000e-03 -6.6671000000e-03  6.5496000000e-03
-
-JOB 364
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8490900000e-01  8.1124500000e-01 -3.3159900000e-01  7.0326800000e-01  2.8833200000e-01  5.8181600000e-01  1.3134390000e+00 -2.5083350000e+00 -3.2794600000e-01  2.1815680000e+00 -2.1384550000e+00 -4.8848400000e-01  7.2056700000e-01 -1.7583240000e+00 -3.7503300000e-01
-ENERGY -1.526599012412e+02
-FORCES  6.3480000000e-04  2.6452000000e-03  4.9090000000e-04  2.7136000000e-03 -2.8411000000e-03  2.7589000000e-03 -2.8327000000e-03 -1.7199000000e-03 -4.4093000000e-03 -3.6576000000e-03  9.3113000000e-03 -1.8100000000e-03 -2.4830000000e-03 -5.5260000000e-04  1.4758000000e-03  5.6249000000e-03 -6.8429000000e-03  1.4938000000e-03
-
-JOB 365
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6676400000e-01 -5.3666600000e-01 -7.4636400000e-01 -8.2170600000e-01  4.0517300000e-01 -2.7724900000e-01  2.3278850000e+00 -8.1418100000e-01 -1.6659310000e+00  2.6860300000e+00 -1.1833650000e+00 -2.4731900000e+00  2.4622970000e+00  1.2949800000e-01 -1.7533090000e+00
-ENERGY -1.526591934497e+02
-FORCES  7.7240000000e-04 -3.4681000000e-03 -4.6928000000e-03 -6.1099000000e-03  4.5560000000e-03  4.3579000000e-03  3.6957000000e-03 -1.4270000000e-03  2.0060000000e-04  4.4737000000e-03  3.3005000000e-03 -2.1687000000e-03 -1.9012000000e-03  2.1620000000e-03  3.5605000000e-03 -9.3070000000e-04 -5.1233000000e-03 -1.2575000000e-03
-
-JOB 366
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6482800000e-01 -7.2451400000e-01 -4.1862300000e-01  2.0579800000e-01  7.6198900000e-01 -5.4152700000e-01  1.1441260000e+00 -7.1113600000e-01  2.4202040000e+00  4.3254300000e-01 -1.3200830000e+00  2.2225530000e+00  1.0812090000e+00 -3.9848000000e-02  1.7407590000e+00
-ENERGY -1.526576549201e+02
-FORCES  2.3643000000e-03 -2.4351000000e-03 -1.6243000000e-03 -2.3308000000e-03  3.8737000000e-03  3.2894000000e-03  5.4180000000e-04 -3.8732000000e-03  4.0241000000e-03 -9.5491000000e-03  3.8496000000e-03 -1.1199600000e-02  3.1040000000e-03 -1.0544000000e-03  1.2545000000e-03  5.8697000000e-03 -3.6050000000e-04  4.2561000000e-03
-
-JOB 367
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4052100000e-01  4.0867700000e-01 -7.9577700000e-01 -1.8190000000e-03  7.0246900000e-01  6.5020500000e-01 -1.0763910000e+00  1.4770450000e+00 -2.0819650000e+00 -1.9597720000e+00  1.5330730000e+00 -1.7176420000e+00 -1.0466440000e+00  6.2073600000e-01 -2.5086770000e+00
-ENERGY -1.526564394653e+02
-FORCES -3.8111000000e-03  1.2909400000e-02 -8.6221000000e-03 -5.4890000000e-04 -1.0100600000e-02  6.9370000000e-04 -6.1970000000e-04 -2.4383000000e-03 -1.1131000000e-03 -3.6713000000e-03 -2.9587000000e-03  8.4010000000e-04  6.1244000000e-03 -1.0467000000e-03 -5.9360000000e-04  2.5267000000e-03  3.6349000000e-03  8.7949000000e-03
-
-JOB 368
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4359700000e-01  9.1427900000e-01 -1.4486900000e-01  8.3484000000e-01 -4.5898400000e-01  9.2782000000e-02 -2.1321500000e+00 -8.0331700000e-01 -1.4348650000e+00 -2.9535270000e+00 -3.4299900000e-01 -1.2625900000e+00 -1.4807890000e+00 -3.3575200000e-01 -9.1204200000e-01
-ENERGY -1.526592147627e+02
-FORCES -2.8030000000e-04 -4.3102000000e-03 -4.1108000000e-03 -2.3799000000e-03 -5.0569000000e-03  2.2800000000e-05 -2.7356000000e-03  4.3187000000e-03  3.4950000000e-04  1.0007400000e-02  3.4600000000e-03  8.3466000000e-03  4.0037000000e-03  5.6200000000e-05  5.3600000000e-04 -8.6153000000e-03  1.5322000000e-03 -5.1442000000e-03
-
-JOB 369
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2374000000e-01  3.5092400000e-01 -7.2026400000e-01 -6.3515200000e-01 -1.7985100000e-01  6.9315800000e-01  1.8994830000e+00  1.8377560000e+00 -2.1891000000e-02  2.0186010000e+00  2.3681330000e+00  7.6598200000e-01  1.2493510000e+00  1.1808130000e+00  2.2707600000e-01
-ENERGY -1.526594869521e+02
-FORCES  1.4644000000e-03  5.9558000000e-03 -2.0862000000e-03  2.1547000000e-03 -2.0655000000e-03  5.1507000000e-03  3.2748000000e-03  2.2014000000e-03 -3.6411000000e-03 -1.0992800000e-02 -1.1638000000e-02  2.3131000000e-03 -2.2053000000e-03 -3.0132000000e-03 -1.4817000000e-03  6.3043000000e-03  8.5595000000e-03 -2.5480000000e-04
-
-JOB 370
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0708300000e-01  1.5688700000e-01  4.9013700000e-01 -2.9466600000e-01 -3.3767800000e-01 -8.4580000000e-01  2.3206790000e+00 -3.4864600000e-01  1.7652940000e+00  1.5088260000e+00 -2.9925000000e-02  1.3709030000e+00  2.9995120000e+00 -1.3047300000e-01  1.1266880000e+00
-ENERGY -1.526595967512e+02
-FORCES -2.2686000000e-03 -2.9156000000e-03 -2.5147000000e-03  4.6288000000e-03 -8.5700000000e-04 -1.9250000000e-03 -1.5340000000e-04  2.1231000000e-03  3.7161000000e-03 -5.1988000000e-03  1.8718000000e-03 -8.8515000000e-03  4.2745000000e-03  7.4760000000e-04  7.3803000000e-03 -1.2824000000e-03 -9.7000000000e-04  2.1948000000e-03
-
-JOB 371
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7120900000e-01 -2.7062000000e-01 -8.7717900000e-01 -3.6189600000e-01 -7.9336900000e-01  3.9475200000e-01 -1.1548090000e+00  5.0174000000e-02  2.9320640000e+00 -1.8034550000e+00 -4.6025200000e-01  2.4473430000e+00 -5.0358400000e-01 -5.9311400000e-01  3.2119200000e+00
-ENERGY -1.526514059724e+02
-FORCES -5.7910000000e-04 -3.7468000000e-03 -7.3770000000e-04 -1.2690000000e-03  1.4485000000e-03  4.3887000000e-03  6.8230000000e-04  1.8294000000e-03 -1.7972000000e-03  4.1760000000e-04 -2.6166000000e-03 -8.4750000000e-04  3.9543000000e-03  9.9550000000e-04  1.0293000000e-03 -3.2060000000e-03  2.0899000000e-03 -2.0356000000e-03
-
-JOB 372
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4160300000e-01  7.7531700000e-01 -4.4544600000e-01 -9.3894500000e-01  1.6584800000e-01  8.4308000000e-02 -2.5925820000e+00  8.7262300000e-01  2.4622900000e-01 -3.1263090000e+00  3.8427500000e-01 -3.8057500000e-01 -3.0268390000e+00  1.7224180000e+00  3.2040500000e-01
-ENERGY -1.526592429144e+02
-FORCES -1.2046900000e-02  8.1857000000e-03  8.8490000000e-04 -3.8060000000e-04 -1.9630000000e-03  1.0450000000e-03  5.1583000000e-03 -6.3945000000e-03 -2.7330000000e-03  2.5869000000e-03  1.9233000000e-03 -7.6480000000e-04  4.1209000000e-03  2.8147000000e-03  3.0759000000e-03  5.6140000000e-04 -4.5662000000e-03 -1.5080000000e-03
-
-JOB 373
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9710000000e-01 -9.2013500000e-01  1.7531200000e-01  8.5205600000e-01  3.9831400000e-01 -1.7770500000e-01  6.7155800000e-01 -2.5166790000e+00  2.7107400000e-01  2.7137500000e-01 -3.1243690000e+00 -3.5085700000e-01  7.1448800000e-01 -3.0070820000e+00  1.0919840000e+00
-ENERGY -1.526594715477e+02
-FORCES  7.0548000000e-03 -1.7834300000e-02  1.9763000000e-03 -2.6472000000e-03  7.7086000000e-03 -1.1140000000e-03 -1.8122000000e-03 -1.6105000000e-03  6.0810000000e-04 -4.2785000000e-03  7.6970000000e-03 -8.6820000000e-04  2.2578000000e-03  2.3577000000e-03  4.5282000000e-03 -5.7470000000e-04  1.6815000000e-03 -5.1305000000e-03
-
-JOB 374
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5622400000e-01 -2.4036900000e-01  7.4099200000e-01 -6.7662000000e-02 -8.0132700000e-01 -5.1916200000e-01  1.9871430000e+00  2.3238310000e+00  1.0122030000e+00  2.5911300000e+00  2.7776930000e+00  1.5999460000e+00  1.3142470000e+00  2.9740960000e+00  8.1071100000e-01
-ENERGY -1.526558676524e+02
-FORCES  4.0628000000e-03 -2.9517000000e-03  1.7162000000e-03 -4.2027000000e-03 -1.6092000000e-03 -3.0457000000e-03  4.3890000000e-04  3.1773000000e-03  2.0440000000e-03 -1.5629000000e-03  5.4301000000e-03 -3.5700000000e-05 -2.5848000000e-03 -2.4043000000e-03 -2.4620000000e-03  3.8486000000e-03 -1.6422000000e-03  1.7832000000e-03
-
-JOB 375
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5969300000e-01  8.0572000000e-01  2.3607200000e-01 -6.1893300000e-01 -4.7600100000e-01 -5.5369400000e-01  1.1171060000e+00 -6.1152600000e-01  2.2240790000e+00  1.4780380000e+00  7.7843000000e-02  2.7815110000e+00  7.3577400000e-01 -1.4413100000e-01  1.4808700000e+00
-ENERGY -1.526536269262e+02
-FORCES  1.7718000000e-03 -7.4703000000e-03  9.8053000000e-03  5.0207000000e-03 -5.6710000000e-03  2.6977000000e-03  2.1800000000e-03  4.5746000000e-03  1.6278000000e-03 -6.7628000000e-03  1.9592000000e-03 -1.6597700000e-02 -3.1398000000e-03 -8.5300000000e-05 -4.6403000000e-03  9.3010000000e-04  6.6928000000e-03  7.1072000000e-03
-
-JOB 376
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5850000000e-03  9.1748700000e-01  2.7277300000e-01  9.1558400000e-01 -2.7353800000e-01  5.5807000000e-02 -8.3811500000e-01  2.8158920000e+00  2.4632100000e-01 -1.3988100000e+00  2.8343820000e+00 -5.2925100000e-01 -1.4331700000e+00  2.9851110000e+00  9.7673600000e-01
-ENERGY -1.526617634283e+02
-FORCES  1.0229000000e-03  7.6355000000e-03  1.5508000000e-03  2.9560000000e-03 -1.0313100000e-02 -7.1040000000e-04 -3.0051000000e-03  1.9415000000e-03  6.3800000000e-05 -6.0858000000e-03  1.0423000000e-03 -1.5911000000e-03  2.3780000000e-03  6.6680000000e-04  4.3256000000e-03  2.7339000000e-03 -9.7310000000e-04 -3.6387000000e-03
-
-JOB 377
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1153600000e-01  6.2947000000e-01  1.1711500000e-01  2.3749700000e-01 -2.6196800000e-01  8.8949400000e-01 -1.4536000000e+00  1.3765240000e+00 -3.1835690000e+00 -9.8682500000e-01  5.4258200000e-01 -3.1297790000e+00 -2.3738110000e+00  1.1307830000e+00 -3.2787300000e+00
-ENERGY -1.526562870875e+02
-FORCES -1.6055000000e-03  2.4272000000e-03  4.3743000000e-03  2.9007000000e-03 -3.7276000000e-03  4.3990000000e-04 -1.1430000000e-03  1.1745000000e-03 -3.5605000000e-03 -7.4160000000e-04 -5.0742000000e-03 -8.5910000000e-04 -3.0042000000e-03  4.0196000000e-03 -1.2423000000e-03  3.5936000000e-03  1.1805000000e-03  8.4760000000e-04
-
-JOB 378
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8565000000e-01  1.0911000000e-01  9.3266300000e-01  8.3776900000e-01 -4.6230500000e-01 -2.5456000000e-02  2.5348950000e+00 -1.0230200000e+00 -4.6097500000e-01  2.1751200000e+00 -1.2322920000e+00 -1.3229490000e+00  2.7696350000e+00 -9.6763000000e-02 -5.1733200000e-01
-ENERGY -1.526595607780e+02
-FORCES  1.1091900000e-02 -6.8531000000e-03  2.3786000000e-03  1.8912000000e-03 -3.2710000000e-04 -2.8378000000e-03 -8.0482000000e-03  6.4206000000e-03 -3.2295000000e-03 -1.4240000000e-04  3.8554000000e-03 -5.0471000000e-03 -6.5560000000e-04  2.2844000000e-03  7.0333000000e-03 -4.1368000000e-03 -5.3802000000e-03  1.7025000000e-03
-
-JOB 379
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2028000000e-01  5.1144000000e-01 -8.0012100000e-01 -3.2677000000e-01 -8.4698900000e-01 -3.0341900000e-01  8.9193800000e-01  2.1322560000e+00 -1.7385650000e+00  7.1127200000e-01  3.0367280000e+00 -1.4825910000e+00  9.8868700000e-01  2.1669340000e+00 -2.6902310000e+00
-ENERGY -1.526603527898e+02
-FORCES  1.9744000000e-03  4.3544000000e-03 -6.3144000000e-03 -3.8712000000e-03 -8.3442000000e-03  4.8883000000e-03  1.4015000000e-03  3.3949000000e-03 -2.3820000000e-04  1.3980000000e-04  4.6780000000e-03 -2.6250000000e-04  1.3300000000e-03 -3.7331000000e-03 -2.6760000000e-03 -9.7450000000e-04 -3.5000000000e-04  4.6028000000e-03
-
-JOB 380
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0852500000e-01 -5.3165500000e-01  5.1310000000e-01  6.7687100000e-01 -6.1512300000e-01 -2.8231400000e-01 -2.2079540000e+00 -7.2311700000e-01  1.1345340000e+00 -2.7771530000e+00 -4.9507000000e-01  3.9952400000e-01 -2.2445460000e+00 -1.6785850000e+00  1.1789580000e+00
-ENERGY -1.526561036174e+02
-FORCES -1.4829300000e-02 -4.5752000000e-03  9.5126000000e-03  8.9113000000e-03 -2.1204000000e-03 -5.7295000000e-03 -4.9495000000e-03 -3.4860000000e-04  2.4626000000e-03  3.7175000000e-03  3.9290000000e-03 -8.3939000000e-03  2.7260000000e-03 -2.7384000000e-03  4.4599000000e-03  4.4241000000e-03  5.8536000000e-03 -2.3117000000e-03
-
-JOB 381
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7613800000e-01  5.0384600000e-01  7.9457300000e-01 -1.4093700000e-01  6.6150700000e-01 -6.7733100000e-01  1.6569400000e-01  9.3944100000e-01  2.8991960000e+00  7.8040400000e-01  8.1567100000e-01  3.6224150000e+00 -6.4486100000e-01  5.2882600000e-01  3.2002380000e+00
-ENERGY -1.526614299650e+02
-FORCES  1.4089000000e-03  5.0278000000e-03  4.5382000000e-03 -2.2700000000e-03 -3.0208000000e-03 -9.3629000000e-03  4.4700000000e-04 -1.9405000000e-03  2.7442000000e-03 -2.1830000000e-04 -2.8389000000e-03  5.4736000000e-03 -3.5704000000e-03  5.4320000000e-04 -2.3025000000e-03  4.2028000000e-03  2.2293000000e-03 -1.0907000000e-03
-
-JOB 382
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6959300000e-01  5.6826700000e-01 -3.2119000000e-02  2.9723400000e-01 -8.2808900000e-01 -3.7703100000e-01 -9.2780000000e-01 -4.5056800000e-01  2.8444350000e+00 -6.1482200000e-01 -7.5480900000e-01  1.9925470000e+00 -1.2285830000e+00  4.4389700000e-01  2.6841370000e+00
-ENERGY -1.526591215694e+02
-FORCES  4.9978000000e-03  9.2630000000e-04 -2.6099000000e-03 -3.8138000000e-03 -2.7889000000e-03 -2.1900000000e-04 -1.6575000000e-03  3.5842000000e-03  3.8065000000e-03  1.1624000000e-03  4.4223000000e-03 -1.0121500000e-02 -1.2233000000e-03 -4.1089000000e-03  6.4031000000e-03  5.3440000000e-04 -2.0351000000e-03  2.7409000000e-03
-
-JOB 383
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6509600000e-01  5.9697800000e-01  7.2979000000e-01  8.3599700000e-01 -4.9273000000e-02 -4.6358600000e-01  2.6962710000e+00  4.3226900000e-01 -7.4012100000e-01  3.0422420000e+00  9.8083500000e-01 -3.6124000000e-02  3.2848450000e+00  5.8973800000e-01 -1.4783730000e+00
-ENERGY -1.526593819477e+02
-FORCES  1.1515700000e-02  3.2507000000e-03 -2.0288000000e-03 -4.1620000000e-04 -1.4292000000e-03 -1.3555000000e-03 -7.7860000000e-03 -1.8135000000e-03  2.2511000000e-03  5.6310000000e-04  2.3742000000e-03  4.5100000000e-04 -1.8315000000e-03 -2.2734000000e-03 -3.5616000000e-03 -2.0451000000e-03 -1.0890000000e-04  4.2438000000e-03
-
-JOB 384
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0343000000e-02 -5.5254300000e-01 -7.7928600000e-01  6.6134800000e-01 -3.5215700000e-01  5.9568100000e-01 -2.0587090000e+00  2.9808040000e+00 -4.7695300000e-01 -2.0422500000e+00  2.8826560000e+00 -1.4289660000e+00 -1.1469520000e+00  2.8679540000e+00 -2.0826100000e-01
-ENERGY -1.526554869771e+02
-FORCES  2.4198000000e-03 -5.1884000000e-03 -3.9660000000e-04  2.2000000000e-06  2.5885000000e-03  3.1425000000e-03 -2.7692000000e-03  1.7194000000e-03 -2.6486000000e-03  4.8971000000e-03 -3.2122000000e-03 -1.9826000000e-03 -4.5840000000e-04  7.7610000000e-04  3.1691000000e-03 -4.0915000000e-03  3.3167000000e-03 -1.2839000000e-03
-
-JOB 385
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9971300000e-01  4.3983200000e-01  6.0259800000e-01  5.7084100000e-01 -4.1244500000e-01 -6.4827600000e-01  1.6790250000e+00 -1.2957390000e+00 -1.7497470000e+00  1.9428140000e+00 -1.9375950000e+00 -1.0904540000e+00  1.1851770000e+00 -1.8027460000e+00 -2.3941780000e+00
-ENERGY -1.526602127770e+02
-FORCES  1.0544900000e-02 -3.9169000000e-03 -9.8068000000e-03 -8.5820000000e-04 -2.4564000000e-03 -1.9198000000e-03 -6.3184000000e-03  1.8386000000e-03  8.9261000000e-03 -2.7127000000e-03 -3.1142000000e-03  9.2920000000e-04 -3.1410000000e-03  5.1955000000e-03 -2.5368000000e-03  2.4854000000e-03  2.4534000000e-03  4.4081000000e-03
-
-JOB 386
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2049200000e-01  8.9295200000e-01  2.6504900000e-01  8.4547200000e-01 -4.4041600000e-01 -8.6269000000e-02  7.1744000000e-02  2.4533580000e+00  5.8073000000e-01  6.9710100000e-01  3.1147640000e+00  8.7687700000e-01 -7.4507500000e-01  2.6790560000e+00  1.0258130000e+00
-ENERGY -1.526564210964e+02
-FORCES  2.1912000000e-03  2.1396200000e-02  4.7319000000e-03 -1.2125000000e-03 -6.9875000000e-03 -1.0469000000e-03 -1.1155000000e-03  3.9192000000e-03  8.9500000000e-04 -1.3200000000e-03 -1.5656800000e-02 -1.8629000000e-03 -4.1687000000e-03 -3.0408000000e-03 -8.9690000000e-04  5.6254000000e-03  3.6970000000e-04 -1.8202000000e-03
-
-JOB 387
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9358500000e-01 -4.9058000000e-01 -2.1397700000e-01 -4.1571300000e-01  1.6490700000e-01 -8.4629800000e-01 -1.6975550000e+00 -2.4833510000e+00 -2.2552470000e+00 -2.0564990000e+00 -3.1177700000e+00 -1.6348420000e+00 -7.5204900000e-01 -2.6301130000e+00 -2.2285560000e+00
-ENERGY -1.526548801823e+02
-FORCES  2.0300000000e-04 -1.0290000000e-03 -4.8968000000e-03 -3.1917000000e-03  1.2485000000e-03  6.9110000000e-04  3.2598000000e-03  1.6240000000e-04  3.9960000000e-03  1.5620000000e-03 -4.1817000000e-03  3.6911000000e-03  1.5246000000e-03  2.1948000000e-03 -3.1834000000e-03 -3.3578000000e-03  1.6050000000e-03 -2.9810000000e-04
-
-JOB 388
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4487300000e-01  1.9370600000e-01  5.6909900000e-01 -1.8924700000e-01  4.7085300000e-01 -8.1161300000e-01 -1.1266670000e+00  1.3372090000e+00 -2.0349550000e+00 -6.4767100000e-01  2.1517500000e+00 -1.8822530000e+00 -2.0443250000e+00  1.5676310000e+00 -1.8898960000e+00
-ENERGY -1.526564102648e+02
-FORCES -1.1292400000e-02  7.7316000000e-03 -1.2732100000e-02  1.7158000000e-03 -2.4600000000e-04 -8.5930000000e-04  7.6791000000e-03  1.0458000000e-03  5.0237000000e-03 -1.4545000000e-03 -1.3757000000e-03  6.8196000000e-03 -1.7184000000e-03 -7.0964000000e-03  2.0933000000e-03  5.0704000000e-03 -5.9300000000e-05 -3.4520000000e-04
-
-JOB 389
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9177000000e-01 -4.4278500000e-01 -6.9161800000e-01  2.2808500000e-01 -4.7556000000e-01  7.9878200000e-01 -1.7785870000e+00  2.9369770000e+00 -1.7848650000e+00 -1.9965550000e+00  3.7432370000e+00 -2.2524830000e+00 -1.4175460000e+00  2.3595440000e+00 -2.4575100000e+00
-ENERGY -1.526527832980e+02
-FORCES  2.8513000000e-03 -3.5760000000e-03  1.2817000000e-03 -2.3107000000e-03  2.1501000000e-03  2.3175000000e-03 -8.7560000000e-04  1.9125000000e-03 -3.3764000000e-03  1.0613000000e-03  3.4200000000e-05 -4.2594000000e-03  8.9230000000e-04 -3.2923000000e-03  2.1611000000e-03 -1.6186000000e-03  2.7716000000e-03  1.8755000000e-03
-
-JOB 390
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1291600000e-01  1.2493800000e-01  7.2453800000e-01  6.4777300000e-01 -6.1858900000e-01  3.3759500000e-01 -2.3363110000e+00 -2.6271060000e+00  5.9887000000e-01 -2.6348310000e+00 -3.5251520000e+00  7.4250900000e-01 -1.3948980000e+00 -2.7086720000e+00  4.4616200000e-01
-ENERGY -1.526548514769e+02
-FORCES -7.2840000000e-04 -1.4750000000e-04  4.6254000000e-03  3.9927000000e-03 -4.0200000000e-04 -3.1443000000e-03 -3.4308000000e-03  1.1858000000e-03 -1.7939000000e-03  2.2521000000e-03 -4.1938000000e-03 -1.4981000000e-03  1.4982000000e-03  3.8074000000e-03 -6.9230000000e-04 -3.5837000000e-03 -2.5000000000e-04  2.5032000000e-03
-
-JOB 391
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5033000000e-02 -4.8557000000e-01  8.2147600000e-01 -8.8287300000e-01 -1.9497600000e-01 -3.1424700000e-01  2.0566340000e+00 -1.1896240000e+00 -1.7349690000e+00  1.3876290000e+00 -1.0081770000e+00 -1.0748620000e+00  1.9406870000e+00 -5.0109600000e-01 -2.3897350000e+00
-ENERGY -1.526603600908e+02
-FORCES -4.4193000000e-03 -5.5560000000e-04  2.7251000000e-03  3.5550000000e-04  1.2764000000e-03 -5.8763000000e-03  5.0325000000e-03  5.9880000000e-04  1.4353000000e-03 -7.7509000000e-03  7.9057000000e-03  4.2261000000e-03  6.0920000000e-03 -6.6095000000e-03 -3.3431000000e-03  6.9010000000e-04 -2.6159000000e-03  8.3290000000e-04
-
-JOB 392
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9575000000e-01  3.4242500000e-01 -8.7215800000e-01 -9.4810100000e-01  9.7239000000e-02  8.8770000000e-02 -1.4472820000e+00  2.2566920000e+00 -1.8248470000e+00 -1.8367440000e+00  2.1466290000e+00 -2.6922780000e+00 -5.0957600000e-01  2.1243790000e+00 -1.9642490000e+00
-ENERGY -1.526543421362e+02
-FORCES -6.2703000000e-03  3.3169000000e-03 -3.5864000000e-03  1.5745000000e-03  6.8840000000e-04  1.3408000000e-03  4.4483000000e-03 -2.6161000000e-03  1.2681000000e-03  1.9941000000e-03  1.6060000000e-03 -4.8510000000e-03  2.0075000000e-03  8.7000000000e-06  4.3395000000e-03 -3.7541000000e-03 -3.0040000000e-03  1.4890000000e-03
-
-JOB 393
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7305600000e-01  7.0961500000e-01  2.9032100000e-01  1.2773400000e-01 -3.9090000000e-02 -9.4783300000e-01  1.7781230000e+00 -2.1269910000e+00 -1.0044700000e-01  1.8318620000e+00 -3.0825450000e+00 -8.4279000000e-02  8.5057600000e-01 -1.9412280000e+00 -2.4666800000e-01
-ENERGY -1.526562946735e+02
-FORCES  8.5356000000e-03  2.1778000000e-03 -1.8640000000e-04 -3.8495000000e-03 -1.4063000000e-03 -1.8629000000e-03 -7.3850000000e-04 -3.6416000000e-03  4.9380000000e-03 -6.5080000000e-03  3.0010000000e-03  2.1919000000e-03 -1.8415000000e-03  4.4011000000e-03  1.7200000000e-04  4.4020000000e-03 -4.5320000000e-03 -5.2527000000e-03
-
-JOB 394
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5362000000e-01 -6.5379000000e-02  5.0656000000e-02 -1.5962700000e-01  8.1015600000e-01 -4.8414800000e-01 -3.1243700000e-01 -2.8065350000e+00  1.7897180000e+00  4.6097000000e-01 -2.4059870000e+00  2.1867500000e+00 -3.2955200000e-01 -3.6963280000e+00  2.1421480000e+00
-ENERGY -1.526520285142e+02
-FORCES  2.9322000000e-03  2.6562000000e-03 -2.4153000000e-03 -3.7648000000e-03  2.4200000000e-04  7.6290000000e-04  4.6050000000e-04 -3.6684000000e-03  2.0571000000e-03  2.9401000000e-03 -9.5150000000e-04  3.0970000000e-03 -2.3545000000e-03 -2.1816000000e-03 -1.6989000000e-03 -2.1360000000e-04  3.9033000000e-03 -1.8028000000e-03
-
-JOB 395
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4172500000e-01  8.9098500000e-01  2.5287500000e-01 -4.9860000000e-02  2.6897000000e-02 -9.5552200000e-01 -1.4374900000e-01  2.4946560000e+00 -1.4470100000e+00  6.2538700000e-01  2.7722750000e+00 -9.4942700000e-01 -7.0402900000e-01  3.2702300000e+00 -1.4753420000e+00
-ENERGY -1.526552097208e+02
-FORCES -2.6352000000e-03  9.4857000000e-03 -7.4737000000e-03  3.1006000000e-03 -1.3339000000e-03  2.2506000000e-03  1.3640000000e-03 -4.0620000000e-03  3.1765000000e-03 -3.9070000000e-04  3.4116000000e-03  1.5726000000e-03 -4.4570000000e-03 -4.0128000000e-03  9.0000000000e-07  3.0183000000e-03 -3.4885000000e-03  4.7310000000e-04
-
-JOB 396
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2567200000e-01 -1.9737200000e-01 -1.4285600000e-01 -9.7380000000e-03  9.1508900000e-01  2.8062300000e-01  9.9864600000e-01 -1.1074750000e+00 -3.3160780000e+00  1.8998640000e+00 -1.4180640000e+00 -3.4031000000e+00  6.8163400000e-01 -1.5137270000e+00 -2.5094210000e+00
-ENERGY -1.526547990363e+02
-FORCES  3.4757000000e-03  5.0462000000e-03  2.2870000000e-04 -4.0677000000e-03 -8.7600000000e-04  3.6210000000e-04  1.6690000000e-04 -3.8893000000e-03 -4.8470000000e-04  4.6450000000e-04 -3.2435000000e-03  2.5292000000e-03 -3.5866000000e-03  1.7654000000e-03  1.0863000000e-03  3.5472000000e-03  1.1973000000e-03 -3.7216000000e-03
-
-JOB 397
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2185600000e-01  3.3967900000e-01 -6.4354100000e-01 -1.1058400000e-01  5.6710600000e-01  7.6314800000e-01 -1.3754190000e+00 -2.2986610000e+00  6.7513900000e-01 -1.0697740000e+00 -1.4076960000e+00  5.0486100000e-01 -1.9562990000e+00 -2.4975620000e+00 -5.9197000000e-02
-ENERGY -1.526573224025e+02
-FORCES -6.5040000000e-04  2.2023000000e-03  8.1300000000e-05  1.3564000000e-03 -4.8570000000e-03  5.1058000000e-03 -1.2532000000e-03 -5.1512000000e-03 -4.2871000000e-03  7.4538000000e-03  1.0719100000e-02 -5.5211000000e-03 -9.0994000000e-03 -5.1843000000e-03  2.9619000000e-03  2.1928000000e-03  2.2711000000e-03  1.6592000000e-03
-
-JOB 398
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5609100000e-01 -9.2861900000e-01 -1.7185800000e-01  5.9685600000e-01  8.5660000000e-03  7.4827900000e-01  1.8806460000e+00  8.1270700000e-01  1.7119250000e+00  2.6496180000e+00  1.0730360000e+00  1.2048340000e+00  1.7913260000e+00  1.4934030000e+00  2.3789380000e+00
-ENERGY -1.526600618438e+02
-FORCES  8.5336000000e-03  3.1086000000e-03  9.3349000000e-03  2.3731000000e-03  2.9403000000e-03  1.9984000000e-03 -6.0247000000e-03 -4.9721000000e-03 -6.1745000000e-03 -3.7098000000e-03  2.1860000000e-03 -5.5245000000e-03 -3.0381000000e-03 -6.8280000000e-04  3.7811000000e-03  1.8660000000e-03 -2.5800000000e-03 -3.4154000000e-03
-
-JOB 399
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4154400000e-01  3.3803100000e-01  7.1323000000e-01 -4.9385200000e-01 -7.1922700000e-01  3.9377000000e-01  1.2231730000e+00  1.6669010000e+00 -1.8272240000e+00  5.9188800000e-01  1.2489730000e+00 -1.2415220000e+00  1.3346430000e+00  1.0429500000e+00 -2.5445050000e+00
-ENERGY -1.526594695133e+02
-FORCES  1.4425000000e-03  3.7620000000e-04  2.4600000000e-05 -3.8847000000e-03 -1.1904000000e-03 -4.4077000000e-03  3.7074000000e-03  2.9162000000e-03 -4.1230000000e-04 -6.2536000000e-03 -1.0298400000e-02  3.6180000000e-03  4.9568000000e-03  5.9751000000e-03 -9.2500000000e-05  3.1600000000e-05  2.2213000000e-03  1.2699000000e-03
-
-JOB 400
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8208000000e-02 -9.5541000000e-01  5.9890000000e-03  9.2138200000e-01  1.8315000000e-01 -1.8369300000e-01 -7.1484500000e-01 -2.6400920000e+00  3.9751400000e-01 -2.4008300000e-01 -3.2035430000e+00  1.0085430000e+00 -1.6278480000e+00 -2.9167060000e+00  4.7588000000e-01
-ENERGY -1.526605384189e+02
-FORCES -1.7197000000e-03 -1.0964200000e-02  7.9600000000e-04  4.5757000000e-03  8.9485000000e-03 -1.9172000000e-03 -2.6429000000e-03 -2.3649000000e-03  1.1528000000e-03 -2.4076000000e-03  2.5762000000e-03  2.3623000000e-03 -2.5706000000e-03  2.3903000000e-03 -2.9912000000e-03  4.7650000000e-03 -5.8590000000e-04  5.9720000000e-04
-
-JOB 401
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3328500000e-01  8.5257700000e-01  4.0109000000e-02 -6.5215200000e-01 -6.1652600000e-01  3.3290400000e-01  1.4823810000e+00  1.2842240000e+00 -2.7691950000e+00  1.8299270000e+00  1.6373130000e+00 -3.5882010000e+00  1.0273180000e+00  4.8267000000e-01 -3.0273860000e+00
-ENERGY -1.526549371641e+02
-FORCES -3.8250000000e-03  2.6123000000e-03  2.2491000000e-03  8.2720000000e-04 -4.3508000000e-03  5.9710000000e-04  2.8697000000e-03  2.4071000000e-03 -1.9360000000e-03 -3.9720000000e-04 -3.3760000000e-03 -3.4797000000e-03 -1.5169000000e-03 -1.4503000000e-03  3.5671000000e-03  2.0422000000e-03  4.1576000000e-03 -9.9760000000e-04
-
-JOB 402
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2831300000e-01  4.7965300000e-01  7.9660000000e-03 -2.5473000000e-01 -9.1713800000e-01 -1.0100700000e-01 -1.3122150000e+00 -6.3335500000e-01 -3.3714350000e+00 -1.5764730000e+00 -1.5221360000e+00 -3.1338060000e+00 -1.6449730000e+00 -8.5823000000e-02 -2.6603000000e+00
-ENERGY -1.526523863000e+02
-FORCES -3.1121000000e-03 -2.0684000000e-03 -4.1000000000e-05  2.9873000000e-03 -2.3706000000e-03 -1.4194000000e-03  2.1890000000e-04  4.0169000000e-03  4.6380000000e-04 -1.3722000000e-03 -7.4100000000e-04  3.7924000000e-03  1.2098000000e-03  3.7208000000e-03 -3.3730000000e-04  6.8200000000e-05 -2.5577000000e-03 -2.4585000000e-03
-
-JOB 403
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9263800000e-01  8.1118100000e-01  1.2460200000e-01  5.8762500000e-01 -5.6257600000e-01 -5.0441700000e-01  1.3448370000e+00  2.4795170000e+00 -7.8155000000e-02  1.3474550000e+00  2.8901940000e+00 -9.4277600000e-01  2.1802370000e+00  2.7364820000e+00  3.1211100000e-01
-ENERGY -1.526610854875e+02
-FORCES  7.6219000000e-03  8.9372000000e-03 -1.0944000000e-03 -4.5911000000e-03 -8.5909000000e-03  6.9560000000e-04 -1.5105000000e-03  1.8211000000e-03  1.1719000000e-03  7.7380000000e-04  4.9380000000e-04 -2.3600000000e-03  1.4971000000e-03 -1.5553000000e-03  4.5417000000e-03 -3.7912000000e-03 -1.1058000000e-03 -2.9548000000e-03
-
-JOB 404
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5440000000e-03 -9.2991300000e-01 -2.2679600000e-01 -9.1068000000e-01  2.7819200000e-01 -9.7481000000e-02  8.4140200000e-01  2.2978400000e+00  2.2303060000e+00 -1.3077000000e-02  2.0396420000e+00  2.5758960000e+00  1.4121110000e+00  2.3266540000e+00  2.9982200000e+00
-ENERGY -1.526518955793e+02
-FORCES -3.3623000000e-03 -1.9619000000e-03 -1.8412000000e-03  3.9410000000e-04  4.0966000000e-03  1.3064000000e-03  3.6174000000e-03 -1.1958000000e-03  1.2064000000e-03 -1.1992000000e-03 -2.9748000000e-03  3.5685000000e-03  2.6989000000e-03  2.1336000000e-03 -1.0429000000e-03 -2.1488000000e-03 -9.7600000000e-05 -3.1972000000e-03
-
-JOB 405
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9814100000e-01  7.0267500000e-01  5.7757400000e-01  8.9744000000e-01  2.4188400000e-01 -2.2874600000e-01  3.7264700000e-01  2.1588130000e+00  1.8488320000e+00 -4.6989900000e-01  2.0558470000e+00  2.2912650000e+00  1.0167490000e+00  1.8435460000e+00  2.4828440000e+00
-ENERGY -1.526573254083e+02
-FORCES  5.4562000000e-03  1.1455400000e-02  5.9161000000e-03 -5.9608000000e-03 -5.0723000000e-03 -1.2909000000e-03 -1.6821000000e-03 -2.8804000000e-03 -4.3340000000e-04  1.3421000000e-03 -3.2061000000e-03  4.2207000000e-03  3.9944000000e-03 -2.2040000000e-03 -5.2060000000e-03 -3.1499000000e-03  1.9073000000e-03 -3.2065000000e-03
-
-JOB 406
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5626300000e-01  1.2450000000e-02  4.0483000000e-02  2.0798700000e-01  3.4605600000e-01 -8.6788200000e-01 -1.3282740000e+00 -1.8333750000e+00 -2.9794550000e+00 -6.8754000000e-01 -2.3079630000e+00 -2.4498710000e+00 -8.7476000000e-01 -1.0333360000e+00 -3.2449630000e+00
-ENERGY -1.526548918223e+02
-FORCES -4.2799000000e-03  2.0832000000e-03 -2.7530000000e-03  4.6471000000e-03  3.0940000000e-04  3.0750000000e-04 -3.6700000000e-04 -2.1833000000e-03  2.6266000000e-03  5.0964000000e-03 -4.5000000000e-06  9.9260000000e-04 -3.1174000000e-03  2.0918000000e-03 -3.0939000000e-03 -1.9792000000e-03 -2.2967000000e-03  1.9203000000e-03
-
-JOB 407
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8144000000e-02 -1.6728700000e-01  9.3922300000e-01 -9.0381000000e-01  3.9799000000e-02 -3.1268900000e-01 -2.8693700000e-01 -2.7236010000e+00 -7.0626200000e-01  1.6388300000e-01 -2.9531630000e+00 -1.5188470000e+00 -1.3068200000e-01 -1.7850100000e+00 -6.0203400000e-01
-ENERGY -1.526600898220e+02
-FORCES -3.6491000000e-03  5.0950000000e-04  4.6875000000e-03  2.3100000000e-05  1.5670000000e-04 -5.9324000000e-03  6.5251000000e-03 -4.3881000000e-03  5.5060000000e-04  5.1055000000e-03  1.0533900000e-02  3.9850000000e-04 -1.4683000000e-03  1.8131000000e-03  2.4680000000e-03 -6.5363000000e-03 -8.6252000000e-03 -2.1722000000e-03
-
-JOB 408
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2718400000e-01  4.5495400000e-01  6.5675400000e-01 -1.4810800000e-01  4.9055600000e-01 -8.0848600000e-01 -2.6007400000e-01 -1.7056000000e-01  3.3828410000e+00 -3.7539100000e-01 -2.5804400000e-01  4.3290340000e+00 -7.1768400000e-01  6.3988500000e-01  3.1592250000e+00
-ENERGY -1.526521218690e+02
-FORCES -2.6059000000e-03  3.0207000000e-03  3.3080000000e-04  1.2875000000e-03  1.2780000000e-04 -2.7484000000e-03  7.3330000000e-04 -2.1675000000e-03  3.6106000000e-03 -1.8185000000e-03  2.3993000000e-03  4.7151000000e-03  6.9920000000e-04  3.2210000000e-04 -4.1357000000e-03  1.7043000000e-03 -3.7024000000e-03 -1.7723000000e-03
-
-JOB 409
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2251800000e-01 -5.3105900000e-01  6.0098600000e-01  6.4538100000e-01  4.6852100000e-01 -5.2934200000e-01 -2.1581700000e+00 -1.6468440000e+00 -8.6961200000e-01 -2.4814250000e+00 -1.5981220000e+00 -1.7692590000e+00 -1.6252800000e+00 -8.5886600000e-01 -7.6307200000e-01
-ENERGY -1.526605953673e+02
-FORCES  3.5931000000e-03 -3.6266000000e-03  9.9100000000e-04 -1.0105000000e-03  3.8545000000e-03 -2.8793000000e-03 -2.8558000000e-03 -2.5473000000e-03  2.2771000000e-03  6.3202000000e-03  6.5491000000e-03  6.3250000000e-04  2.0999000000e-03  7.9060000000e-04  2.7445000000e-03 -8.1470000000e-03 -5.0203000000e-03 -3.7657000000e-03
-
-JOB 410
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9908000000e-02 -3.3767100000e-01 -8.9293000000e-01 -1.4489600000e-01 -7.7709200000e-01  5.3978300000e-01 -2.9986500000e-01 -1.2272280000e+00 -2.4885620000e+00  3.0383200000e-01 -1.4118890000e+00 -3.2080630000e+00 -1.1682070000e+00 -1.2570810000e+00 -2.8902120000e+00
-ENERGY -1.526611878731e+02
-FORCES -1.2353000000e-03 -7.8669000000e-03 -9.7136000000e-03  1.9036000000e-03  4.2501000000e-03  7.6137000000e-03  1.2640000000e-04  2.2234000000e-03 -1.1870000000e-03 -1.9071000000e-03  1.5117000000e-03 -2.7800000000e-04 -3.7792000000e-03  7.6550000000e-04  3.0424000000e-03  4.8916000000e-03 -8.8390000000e-04  5.2260000000e-04
-
-JOB 411
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3917100000e-01 -7.9452500000e-01  4.7724100000e-01  8.3420800000e-01  3.5760900000e-01 -3.0404800000e-01 -1.8505180000e+00  7.1799000000e-02 -2.0425240000e+00 -2.4613710000e+00 -6.3711200000e-01 -1.8411880000e+00 -1.3225620000e+00  1.6608500000e-01 -1.2496790000e+00
-ENERGY -1.526602507284e+02
-FORCES  6.0520000000e-04 -2.8007000000e-03 -4.2272000000e-03 -1.1880000000e-04  3.9962000000e-03 -2.1282000000e-03 -3.9687000000e-03 -2.4043000000e-03  2.1371000000e-03  7.3288000000e-03 -2.4418000000e-03  1.1448800000e-02  2.1139000000e-03  1.5586000000e-03 -7.9000000000e-05 -5.9605000000e-03  2.0920000000e-03 -7.1516000000e-03
-
-JOB 412
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8938600000e-01 -2.9590300000e-01  8.9039700000e-01  8.1173700000e-01 -1.5628800000e-01 -4.8258600000e-01  7.5318100000e-01 -7.0679800000e-01  2.4762570000e+00  6.8119900000e-01 -1.5067150000e+00  2.9970080000e+00  1.6318200000e+00 -7.4468900000e-01  2.0983810000e+00
-ENERGY -1.526563581727e+02
-FORCES  3.1396000000e-03 -4.9944000000e-03  1.3954100000e-02  4.2527000000e-03  2.7568000000e-03 -8.8865000000e-03 -1.2053000000e-03 -9.4700000000e-05  3.8239000000e-03 -6.3420000000e-04 -2.1015000000e-03 -4.0516000000e-03  2.0398000000e-03  4.3516000000e-03 -2.6383000000e-03 -7.5926000000e-03  8.2200000000e-05 -2.2017000000e-03
-
-JOB 413
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2935700000e-01 -5.0959100000e-01 -7.4032000000e-01  4.2602000000e-01  7.5769800000e-01 -4.0079000000e-01  1.4825200000e+00 -2.3051790000e+00  3.0866200000e-01  6.8819900000e-01 -2.8372590000e+00  2.6200300000e-01  1.1649180000e+00 -1.4034240000e+00  3.5555700000e-01
-ENERGY -1.526585871216e+02
-FORCES  1.1487000000e-03 -1.3118000000e-03 -4.8881000000e-03  3.3056000000e-03  8.1470000000e-04  5.3992000000e-03 -1.7133000000e-03 -4.8659000000e-03  1.8396000000e-03 -9.1357000000e-03  1.1273300000e-02  1.7159000000e-03  1.8420000000e-03  2.1514000000e-03 -1.4869000000e-03  4.5527000000e-03 -8.0617000000e-03 -2.5798000000e-03
-
-JOB 414
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9986200000e-01  1.3694000000e-01 -2.9618800000e-01 -5.0649400000e-01 -9.4121000000e-02 -8.0674500000e-01 -3.9290300000e+00  1.8404100000e-01 -2.2405600000e-01 -3.8265400000e+00  1.1355230000e+00 -2.0383200000e-01 -4.8751210000e+00  4.3711000000e-02 -1.8594900000e-01
-ENERGY -1.526548245366e+02
-FORCES  6.4970000000e-04 -6.6260000000e-04 -4.5926000000e-03 -3.6877000000e-03 -4.6710000000e-04  1.2743000000e-03  3.5555000000e-03  1.1277000000e-03  3.0038000000e-03 -3.7644000000e-03  3.3393000000e-03  1.3396000000e-03 -6.1970000000e-04 -4.0296000000e-03 -8.4320000000e-04  3.8666000000e-03  6.9220000000e-04 -1.8180000000e-04
-
-JOB 415
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4802900000e-01 -6.3734800000e-01 -5.5613800000e-01 -9.2666500000e-01 -2.2912300000e-01 -7.0894000000e-02  7.1148600000e-01  5.3392000000e-01  2.5973620000e+00  4.6533600000e-01 -9.3197000000e-02  3.2773370000e+00  4.3227400000e-01  1.2279100000e-01  1.7792880000e+00
-ENERGY -1.526598942768e+02
-FORCES -3.8830000000e-04 -7.7830000000e-04 -9.1390000000e-04 -3.1848000000e-03  2.8614000000e-03  3.2529000000e-03  5.5836000000e-03  8.1700000000e-05  1.5006000000e-03 -2.9460000000e-03 -3.5141000000e-03 -1.1191500000e-02 -1.5570000000e-04  1.1141000000e-03 -3.8628000000e-03  1.0911000000e-03  2.3520000000e-04  1.1214700000e-02
-
-JOB 416
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5292100000e-01 -1.1577600000e-01 -9.3778600000e-01  4.9850500000e-01 -7.0493200000e-01  4.1327300000e-01 -3.3199350000e+00 -7.8615900000e-01  3.6886400000e-01 -2.8136820000e+00 -1.4424450000e+00 -1.0991500000e-01 -4.1700930000e+00 -7.7124400000e-01 -7.0728000000e-02
-ENERGY -1.526526810808e+02
-FORCES  3.0580000000e-03 -1.9640000000e-03 -1.4852000000e-03 -1.2334000000e-03 -8.7300000000e-05  3.9362000000e-03 -2.6455000000e-03  2.6120000000e-03 -2.0600000000e-03  3.6740000000e-04 -2.0658000000e-03 -3.7118000000e-03 -3.2986000000e-03  1.2622000000e-03  1.6553000000e-03  3.7521000000e-03  2.4290000000e-04  1.6655000000e-03
-
-JOB 417
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9152100000e-01  8.5247000000e-01  1.9036200000e-01  5.5077100000e-01 -3.6814300000e-01 -6.9090800000e-01  5.2698100000e-01 -1.8638140000e+00  1.8990650000e+00  3.1308500000e-01 -1.0681940000e+00  1.4117580000e+00  8.5818600000e-01 -1.5484650000e+00  2.7399520000e+00
-ENERGY -1.526598185909e+02
-FORCES  4.3592000000e-03 -2.7737000000e-03 -1.1833000000e-03 -1.1829000000e-03 -5.7557000000e-03  6.8130000000e-04 -2.6868000000e-03  3.0084000000e-03  4.2050000000e-03 -3.8328000000e-03  1.0771900000e-02 -8.3973000000e-03  4.4671000000e-03 -6.4583000000e-03  8.4525000000e-03 -1.1238000000e-03  1.2074000000e-03 -3.7583000000e-03
-
-JOB 418
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7313600000e-01  2.2402100000e-01  5.1798400000e-01 -6.0735600000e-01  7.2452700000e-01  1.4970300000e-01  3.2190160000e+00 -1.0060540000e+00 -2.4999500000e-01  3.4096340000e+00 -1.8534120000e+00 -6.5233800000e-01  4.0629900000e+00 -7.0487900000e-01  8.6508000000e-02
-ENERGY -1.526558887753e+02
-FORCES  3.0120000000e-03  2.9051000000e-03  2.3061000000e-03 -6.0041000000e-03  1.0264000000e-03 -5.5310000000e-04  2.6044000000e-03 -2.7713000000e-03 -6.1910000000e-04  4.1351000000e-03 -3.9354000000e-03 -1.8922000000e-03  2.7440000000e-04  3.6368000000e-03  1.8656000000e-03 -4.0219000000e-03 -8.6150000000e-04 -1.1072000000e-03
-
-JOB 419
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0886200000e-01  2.3222800000e-01  8.3374700000e-01  1.7630600000e-01  8.4030800000e-01 -4.2311900000e-01  2.0891060000e+00  1.6143000000e-01  2.5503640000e+00  2.3739160000e+00  4.7998100000e-01  1.6938360000e+00  1.3055340000e+00 -3.5631100000e-01  2.3654540000e+00
-ENERGY -1.526556563716e+02
-FORCES -2.7636000000e-03  5.5815000000e-03  3.1860000000e-04  3.8366000000e-03 -2.6818000000e-03 -2.4226000000e-03  1.0800000000e-05 -4.0031000000e-03  2.0970000000e-03 -1.7156000000e-03 -2.8082000000e-03 -7.3007000000e-03  6.2500000000e-05  7.6540000000e-04  4.3265000000e-03  5.6930000000e-04  3.1462000000e-03  2.9811000000e-03
-
-JOB 420
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2289900000e-01 -2.8942100000e-01 -5.5667200000e-01  4.2216400000e-01  4.8709000000e-01  7.0763900000e-01  2.8020610000e+00 -1.6549060000e+00  1.7607450000e+00  3.0907750000e+00 -8.6373900000e-01  1.3058480000e+00  3.1491450000e+00 -2.3748040000e+00  1.2339520000e+00
-ENERGY -1.526530660693e+02
-FORCES  4.7821000000e-03 -7.7840000000e-04  2.2337000000e-03 -2.4080000000e-03  1.8322000000e-03  1.5475000000e-03 -1.3779000000e-03 -8.0330000000e-04 -3.7353000000e-03  2.9468000000e-03 -1.0030000000e-03 -3.4164000000e-03 -2.5249000000e-03 -2.6488000000e-03  1.3243000000e-03 -1.4182000000e-03  3.4012000000e-03  2.0462000000e-03
-
-JOB 421
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9687700000e-01 -8.1075100000e-01 -4.1325400000e-01 -9.5374800000e-01 -2.6830000000e-02 -7.6656000000e-02 -2.5862100000e+00 -1.2036470000e+00 -1.8601440000e+00 -2.3291660000e+00 -4.6120100000e-01 -2.4068920000e+00 -3.5000550000e+00 -1.0302680000e+00 -1.6341850000e+00
-ENERGY -1.526580831346e+02
-FORCES -4.4423000000e-03 -5.8078000000e-03 -2.4574000000e-03  6.1410000000e-04  3.6759000000e-03  1.6225000000e-03  4.6176000000e-03  3.3426000000e-03  1.6013000000e-03 -4.3405000000e-03  2.3495000000e-03 -3.9454000000e-03 -1.0004000000e-03 -3.3421000000e-03  3.7613000000e-03  4.5516000000e-03 -2.1820000000e-04 -5.8230000000e-04
-
-JOB 422
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3529600000e-01 -7.9179100000e-01 -5.2507000000e-02 -5.5275600000e-01  6.3347100000e-01  4.5761100000e-01 -2.0700650000e+00  1.6578730000e+00  9.0053900000e-01 -1.6988240000e+00  2.5352770000e+00  8.0794000000e-01 -2.4131890000e+00  1.6355180000e+00  1.7938460000e+00
-ENERGY -1.526600308768e+02
-FORCES -1.2794500000e-02  4.8047000000e-03  3.9967000000e-03  2.0476000000e-03  1.4143000000e-03  3.4650000000e-04  9.0809000000e-03 -2.1980000000e-03 -2.2324000000e-03 -3.9400000000e-05  1.9816000000e-03  1.4473000000e-03 -4.7420000000e-04 -6.1769000000e-03  1.2610000000e-03  2.1795000000e-03  1.7420000000e-04 -4.8191000000e-03
-
-JOB 423
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1795600000e-01 -2.6321500000e-01  8.6362800000e-01  6.2376500000e-01  7.0384800000e-01  1.7817600000e-01  5.0217000000e-02  3.6394920000e+00 -2.1403380000e+00 -4.7139900000e-01  3.8019740000e+00 -1.3543690000e+00 -2.8669500000e-01  2.8126000000e+00 -2.4852620000e+00
-ENERGY -1.526556692333e+02
-FORCES  2.0516000000e-03  9.8100000000e-04  4.6718000000e-03  1.2626000000e-03  1.3185000000e-03 -3.5795000000e-03 -3.4197000000e-03 -2.9771000000e-03 -6.4910000000e-04 -4.3421000000e-03 -3.0126000000e-03  1.0579000000e-03  2.6578000000e-03 -4.4570000000e-04 -2.7620000000e-03  1.7898000000e-03  4.1358000000e-03  1.2610000000e-03
-
-JOB 424
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2485100000e-01  1.6311800000e-01 -1.8513600000e-01 -3.9844400000e-01 -1.2649000000e-01 -8.6108900000e-01  2.3249310000e+00  3.8933100000e-01 -1.3492640000e+00  3.0859410000e+00  2.1942500000e-01 -7.9408200000e-01  2.3887110000e+00 -2.6038000000e-01 -2.0492920000e+00
-ENERGY -1.526575840741e+02
-FORCES  1.2914700000e-02  3.3132000000e-03 -1.1892100000e-02 -3.4104000000e-03 -1.7572000000e-03  7.7784000000e-03 -1.5340000000e-04 -7.4630000000e-04  2.0454000000e-03 -2.7607000000e-03 -4.4128000000e-03  4.1400000000e-05 -6.2463000000e-03  1.2710000000e-04 -1.6684000000e-03 -3.4390000000e-04  3.4760000000e-03  3.6952000000e-03
-
-JOB 425
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8017400000e-01 -6.5064000000e-02  3.7052900000e-01  1.0215500000e-01  5.6934400000e-01 -7.6265600000e-01  9.2029400000e-01 -2.3706950000e+00  2.0440610000e+00  1.6713150000e+00 -1.8950120000e+00  1.6892020000e+00  7.9157100000e-01 -1.9992980000e+00  2.9168300000e+00
-ENERGY -1.526510822008e+02
-FORCES  3.6848000000e-03  1.0595000000e-03 -1.2238000000e-03 -1.7978000000e-03  3.4160000000e-04 -9.4510000000e-04 -5.4630000000e-04 -2.8982000000e-03  3.4895000000e-03  1.1164000000e-03  2.9397000000e-03  2.1354000000e-03 -3.4546000000e-03  1.6470000000e-04  3.9930000000e-04  9.9750000000e-04 -1.6073000000e-03 -3.8553000000e-03
-
-JOB 426
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9561800000e-01  8.9733000000e-02  3.2565100000e-01  5.3024000000e-02  6.1726300000e-01 -7.2966200000e-01  1.4367580000e+00 -1.5784300000e-01  2.4303460000e+00  2.1312000000e+00 -7.9414500000e-01  2.6009410000e+00  1.2263570000e+00 -2.7483300000e-01  1.5039140000e+00
-ENERGY -1.526615432911e+02
-FORCES -2.9341000000e-03  3.5469000000e-03  1.2642000000e-03  3.9783000000e-03 -4.8700000000e-05 -3.0028000000e-03 -1.2430000000e-03 -2.7644000000e-03  3.1826000000e-03 -2.4718000000e-03 -9.2630000000e-04 -8.4830000000e-03 -2.4864000000e-03  1.9180000000e-03 -2.0092000000e-03  5.1569000000e-03 -1.7255000000e-03  9.0482000000e-03
-
-JOB 427
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9667700000e-01 -5.1908100000e-01  1.0996500000e-01 -1.1566000000e-01  7.4499800000e-01  5.8977300000e-01 -2.8417490000e+00  9.9908800000e-01  3.1534700000e-01 -3.0930910000e+00  7.9380900000e-01  1.2158580000e+00 -3.3578980000e+00  3.9729100000e-01 -2.2099500000e-01
-ENERGY -1.526552264007e+02
-FORCES -9.7705000000e-03  4.9458000000e-03  2.3533000000e-03  3.6590000000e-03 -2.4003000000e-03 -4.5710000000e-04  3.5992000000e-03 -2.7688000000e-03 -2.6420000000e-04 -4.0241000000e-03 -1.7039000000e-03 -5.2920000000e-04  3.2411000000e-03  1.6090000000e-04 -4.2912000000e-03  3.2954000000e-03  1.7664000000e-03  3.1883000000e-03
-
-JOB 428
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1011800000e-01  2.4342800000e-01 -7.7249900000e-01  6.5444300000e-01 -1.5031900000e-01  6.8215900000e-01 -2.3787150000e+00 -1.5271570000e+00 -1.3610300000e-01 -2.1819610000e+00 -2.4576040000e+00 -2.4467500000e-01 -1.5328370000e+00 -1.0899710000e+00 -2.3403700000e-01
-ENERGY -1.526609891941e+02
-FORCES  2.4403000000e-03 -3.3000000000e-06  1.4092000000e-03 -2.2102000000e-03 -1.9763000000e-03  4.2017000000e-03 -2.1490000000e-03  1.0082000000e-03 -4.3266000000e-03  9.9893000000e-03  3.9362000000e-03  2.6070000000e-04  3.6700000000e-04  3.0946000000e-03  4.5310000000e-04 -8.4374000000e-03 -6.0595000000e-03 -1.9980000000e-03
-
-JOB 429
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0709500000e-01  3.1838000000e-02  8.6573200000e-01 -7.9159700000e-01 -5.2316000000e-01  1.2613100000e-01  6.0333200000e-01 -3.2524710000e+00  1.0382350000e+00  4.9879300000e-01 -2.7245270000e+00  1.8298020000e+00  1.5482320000e+00 -3.2732830000e+00  8.8670100000e-01
-ENERGY -1.526534285582e+02
-FORCES -1.7161000000e-03 -4.5813000000e-03  3.2896000000e-03 -1.2224000000e-03 -1.6530000000e-04 -2.6259000000e-03  2.4950000000e-03  3.9130000000e-03  1.3510000000e-04  4.6879000000e-03  2.0369000000e-03  1.2688000000e-03 -3.1080000000e-04 -8.8470000000e-04 -3.5059000000e-03 -3.9337000000e-03 -3.1860000000e-04  1.4383000000e-03
-
-JOB 430
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5006900000e-01  6.5552100000e-01 -6.0330400000e-01  6.8957400000e-01 -1.1731700000e-01  6.5341900000e-01  1.6065570000e+00  2.8580240000e+00  1.6196140000e+00  2.1177750000e+00  2.5911350000e+00  8.5563800000e-01  1.7791030000e+00  2.1798200000e+00  2.2726830000e+00
-ENERGY -1.526525220903e+02
-FORCES  3.3766000000e-03  3.8638000000e-03  8.0090000000e-04 -5.0270000000e-04 -3.3629000000e-03  1.8985000000e-03 -1.8980000000e-03  9.5200000000e-05 -2.4723000000e-03  2.6539000000e-03 -2.8407000000e-03  5.8920000000e-04 -3.0012000000e-03  3.3400000000e-05  2.6860000000e-03 -6.2870000000e-04  2.2112000000e-03 -3.5024000000e-03
-
-JOB 431
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7329000000e-01 -6.9736000000e-01 -5.3905000000e-01 -9.4409700000e-01 -1.5562800000e-01 -2.6302000000e-02 -2.7195530000e+00 -1.2344900000e-01 -1.8440000000e-03 -3.0110820000e+00 -1.0030590000e+00  2.3800600000e-01 -3.1438090000e+00  4.5189600000e-01  6.3472300000e-01
-ENERGY -1.526602139224e+02
-FORCES -1.4362300000e-02 -9.1040000000e-04 -1.8919000000e-03 -2.9326000000e-03  1.1973000000e-03  1.7311000000e-03  1.0832100000e-02 -2.2728000000e-03  5.8070000000e-04  1.9737000000e-03  1.4146000000e-03  3.8270000000e-03  3.1419000000e-03  4.7012000000e-03 -1.0985000000e-03  1.3472000000e-03 -4.1299000000e-03 -3.1484000000e-03
-
-JOB 432
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6992900000e-01 -3.2022000000e-01 -7.6997200000e-01 -2.3963400000e-01 -6.0950300000e-01  6.9807900000e-01 -4.6849000000e-02 -1.9165880000e+00  1.6946910000e+00  6.5885300000e-01 -2.3525580000e+00  1.2170430000e+00 -6.3838400000e-01 -2.6250940000e+00  1.9483400000e+00
-ENERGY -1.526570876862e+02
-FORCES -4.2947000000e-03 -1.5187400000e-02  1.3498600000e-02  1.5103000000e-03 -8.0730000000e-04  2.8278000000e-03  3.3581000000e-03  4.3554000000e-03 -6.1845000000e-03  1.1636000000e-03  7.1846000000e-03 -9.5611000000e-03 -5.6937000000e-03  1.6117000000e-03  2.2837000000e-03  3.9564000000e-03  2.8430000000e-03 -2.8646000000e-03
-
-JOB 433
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7234700000e-01  5.6038100000e-01  7.5393000000e-02  3.8052300000e-01 -3.6370000000e-03  8.7830600000e-01  7.6450500000e-01  2.6456320000e+00 -9.3500400000e-01  2.6409600000e-01  2.5045590000e+00 -1.7386960000e+00  8.3317700000e-01  1.7767120000e+00 -5.3941200000e-01
-ENERGY -1.526587669634e+02
-FORCES -4.1283000000e-03  9.8230000000e-04  4.3925000000e-03  6.0062000000e-03 -1.6291000000e-03 -1.7673000000e-03 -9.2630000000e-04  2.0844000000e-03 -5.7063000000e-03 -1.2593000000e-03 -1.1404100000e-02 -1.4746000000e-03  4.7030000000e-04  1.2496000000e-03  3.1227000000e-03 -1.6270000000e-04  8.7169000000e-03  1.4330000000e-03
-
-JOB 434
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2559400000e-01 -7.8886800000e-01 -4.3348300000e-01  2.5368200000e-01  5.8070400000e-01 -7.1739800000e-01  2.2727370000e+00  3.7033200000e-01  1.5948400000e+00  1.5702600000e+00  5.4707000000e-02  1.0263880000e+00  3.0748110000e+00  2.0626800000e-01  1.0988630000e+00
-ENERGY -1.526602523215e+02
-FORCES -7.1000000000e-04  5.6730000000e-04 -2.9431000000e-03  2.3557000000e-03  4.4416000000e-03  1.5708000000e-03  1.3190000000e-04 -4.4910000000e-03  3.9469000000e-03 -8.2785000000e-03 -3.4862000000e-03 -6.7432000000e-03  1.0058100000e-02  2.4254000000e-03  3.9122000000e-03 -3.5572000000e-03  5.4300000000e-04  2.5650000000e-04
-
-JOB 435
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7304600000e-01 -7.2232100000e-01  5.6562300000e-01  9.3988200000e-01  8.7180000000e-02  1.5891600000e-01  2.6511140000e+00 -5.7320000000e-02  2.9979100000e-01  2.7929370000e+00  7.5697400000e-01 -1.8295300000e-01  3.0134900000e+00 -7.3842700000e-01 -2.6678600000e-01
-ENERGY -1.526583765236e+02
-FORCES  1.7944400000e-02 -3.1960000000e-03  5.3888000000e-03  1.0942000000e-03  1.3189000000e-03 -1.8351000000e-03 -7.7306000000e-03  5.1614000000e-03 -3.9004000000e-03 -4.9884000000e-03 -1.7655000000e-03 -5.1389000000e-03 -4.6890000000e-03 -5.6490000000e-03  2.5002000000e-03 -1.6306000000e-03  4.1301000000e-03  2.9854000000e-03
-
-JOB 436
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1979400000e-01  6.8980700000e-01 -2.3718000000e-01  5.2149800000e-01 -1.3641700000e-01 -7.9098800000e-01  1.6237520000e+00  2.8645400000e+00  5.7132400000e-01  1.2022490000e+00  2.3107740000e+00  1.2285230000e+00  1.0081270000e+00  2.8782340000e+00 -1.6151400000e-01
-ENERGY -1.526547003134e+02
-FORCES  3.4180000000e-04  5.1220000000e-04 -5.3288000000e-03  3.9447000000e-03 -1.2147000000e-03  1.7911000000e-03 -3.0841000000e-03  8.3710000000e-04  3.2656000000e-03 -4.4920000000e-03 -5.2141000000e-03  3.5310000000e-04  1.6691000000e-03  4.8870000000e-03 -1.8515000000e-03  1.6205000000e-03  1.9250000000e-04  1.7704000000e-03
-
-JOB 437
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7062600000e-01 -4.9233000000e-01  2.8280600000e-01 -7.0452700000e-01 -3.0902200000e-01  5.6954300000e-01  1.2834610000e+00 -2.7751860000e+00 -6.5823100000e-01  1.2074220000e+00 -3.2641590000e+00 -1.4775940000e+00  2.2242910000e+00 -2.7416840000e+00 -4.8517600000e-01
-ENERGY -1.526554692191e+02
-FORCES  1.1806000000e-03 -8.2076000000e-03  1.5699000000e-03 -1.1073000000e-03  5.4750000000e-03  1.5022000000e-03  1.9920000000e-03  2.0279000000e-03 -1.7911000000e-03  1.6961000000e-03 -2.0602000000e-03 -5.2472000000e-03  9.2620000000e-04  1.2239000000e-03  3.8310000000e-03 -4.6876000000e-03  1.5411000000e-03  1.3520000000e-04
-
-JOB 438
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7797400000e-01 -9.2996800000e-01  1.4041900000e-01 -4.3666000000e-01  4.4065000000e-01  7.2896300000e-01 -4.5009200000e-01  2.0089560000e+00  1.9101750000e+00  1.9359000000e-02  2.6710490000e+00  1.4027480000e+00  2.0500300000e-01  1.6613090000e+00  2.5153390000e+00
-ENERGY -1.526605624207e+02
-FORCES -4.3950000000e-03  5.5497000000e-03  6.7772000000e-03  3.3950000000e-04  3.9656000000e-03  1.5479000000e-03  3.5376000000e-03 -8.7013000000e-03 -5.6616000000e-03  6.7214000000e-03  2.1690000000e-03 -2.2028000000e-03 -2.3346000000e-03 -3.1135000000e-03  3.4095000000e-03 -3.8688000000e-03  1.3050000000e-04 -3.8703000000e-03
-
-JOB 439
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8130200000e-01  6.0746200000e-01 -6.8417200000e-01  7.4694200000e-01 -5.2464000000e-02  5.9628600000e-01  1.3086250000e+00 -6.0010400000e-01  2.6371830000e+00  1.2498350000e+00 -1.4672090000e+00  2.2360540000e+00  2.1949590000e+00 -5.6152800000e-01  2.9965670000e+00
-ENERGY -1.526585056316e+02
-FORCES  4.4537000000e-03  3.0286000000e-03  4.1043000000e-03 -4.1660000000e-04 -2.0692000000e-03  2.9644000000e-03 -3.2695000000e-03 -2.6265000000e-03 -8.3615000000e-03  2.1874000000e-03 -4.7403000000e-03  3.7705000000e-03  1.2893000000e-03  6.5814000000e-03 -1.9540000000e-04 -4.2444000000e-03 -1.7390000000e-04 -2.2823000000e-03
-
-JOB 440
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9317200000e-01  5.6350500000e-01  7.4925200000e-01 -9.1877500000e-01  1.7641300000e-01 -2.0239400000e-01 -3.3892300000e-01 -2.5854330000e+00  4.5745700000e-01  5.1061500000e-01 -2.9049650000e+00  7.6145700000e-01 -1.7036900000e-01 -1.6862310000e+00  1.7593100000e-01
-ENERGY -1.526585565819e+02
-FORCES -2.8954000000e-03 -6.2222000000e-03  6.0301000000e-03 -1.5404000000e-03 -1.9856000000e-03 -4.3127000000e-03  5.6154000000e-03 -3.1798000000e-03  2.0972000000e-03  6.2138000000e-03  1.7623400000e-02 -2.6890000000e-03 -1.9379000000e-03  1.8456000000e-03 -3.3380000000e-04 -5.4555000000e-03 -8.0813000000e-03 -7.9190000000e-04
-
-JOB 441
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5043700000e-01  1.1156700000e-01 -2.1329000000e-02  1.2999000000e-01 -9.4816100000e-01  1.8035000000e-02  2.9232000000e-01 -2.6937960000e+00  8.4651900000e-01  1.2206500000e-01 -2.8879650000e+00  1.7682260000e+00 -1.8754500000e-01 -3.3687140000e+00  3.6647100000e-01
-ENERGY -1.526598134749e+02
-FORCES -1.2335000000e-03 -1.0903600000e-02  3.5931000000e-03  2.6655000000e-03 -6.6950000000e-04  1.6050000000e-04 -1.4032000000e-03  7.9613000000e-03 -5.4057000000e-03 -1.7244000000e-03 -8.1900000000e-05  4.2246000000e-03  2.0420000000e-04 -9.5410000000e-04 -4.8309000000e-03  1.4914000000e-03  4.6477000000e-03  2.2584000000e-03
-
-JOB 442
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1614400000e-01 -6.6801500000e-01  6.0831000000e-01 -7.9434600000e-01  3.6340100000e-01 -3.9139000000e-01  2.1035930000e+00 -1.6704900000e+00 -1.3325150000e+00  2.9321180000e+00 -1.5068850000e+00 -1.7830840000e+00  1.8094920000e+00 -8.0479000000e-01 -1.0491440000e+00
-ENERGY -1.526602417216e+02
-FORCES -5.3983000000e-03 -2.9805000000e-03  8.1120000000e-04  5.2330000000e-04  3.9410000000e-03 -2.3558000000e-03  3.0536000000e-03 -1.5462000000e-03  2.1542000000e-03 -1.5815000000e-03  5.6234000000e-03  1.3086000000e-03 -3.4529000000e-03  3.4840000000e-04  1.6736000000e-03  6.8559000000e-03 -5.3862000000e-03 -3.5919000000e-03
-
-JOB 443
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2864000000e-02  4.2514000000e-01  8.5450500000e-01 -9.0032300000e-01  1.7036100000e-01 -2.7681700000e-01  6.4241000000e-01  7.4548200000e-01  2.6469360000e+00 -2.1636300000e-01  5.1973100000e-01  3.0043960000e+00  1.2538230000e+00  1.7529500000e-01  3.1130830000e+00
-ENERGY -1.526593113316e+02
-FORCES  2.2949000000e-03  4.3883000000e-03  8.8346000000e-03 -6.9407000000e-03 -2.7006000000e-03 -8.1574000000e-03  2.7545000000e-03 -2.2510000000e-04  3.1682000000e-03  1.8122000000e-03 -5.6284000000e-03  1.8131000000e-03  3.7962000000e-03  9.6760000000e-04 -4.9749000000e-03 -3.7171000000e-03  3.1983000000e-03 -6.8360000000e-04
-
-JOB 444
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7446100000e-01 -1.5211800000e-01 -5.4157400000e-01  3.3510400000e-01  8.4738200000e-01 -2.9305500000e-01  1.0232260000e+00  1.1286930000e+00 -3.2489360000e+00  8.7778300000e-01  1.9209720000e+00 -3.7660170000e+00  3.0111000000e-01  5.4861600000e-01 -3.4903690000e+00
-ENERGY -1.526554619816e+02
-FORCES -1.8860000000e-04  3.7336000000e-03 -4.7400000000e-03  2.4718000000e-03  3.2900000000e-05  1.7845000000e-03 -2.6237000000e-03 -3.3892000000e-03  3.5685000000e-03 -2.4499000000e-03  8.6000000000e-06 -5.1088000000e-03  4.1850000000e-04 -3.4516000000e-03  2.7650000000e-03  2.3718000000e-03  3.0657000000e-03  1.7308000000e-03
-
-JOB 445
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1371200000e-01  5.3414700000e-01 -3.4861700000e-01  1.7306600000e-01 -4.7663000000e-02  9.4021700000e-01 -1.0559120000e+00 -2.1624500000e+00 -1.6030080000e+00 -8.5051500000e-01 -1.4964070000e+00 -9.4693600000e-01 -2.0097560000e+00 -2.2383520000e+00 -1.5774700000e+00
-ENERGY -1.526616339165e+02
-FORCES  4.2540000000e-03  1.3298000000e-03 -1.1700000000e-04 -2.9481000000e-03 -1.7268000000e-03  3.3486000000e-03 -6.1400000000e-04  5.0940000000e-04 -4.5885000000e-03  9.4750000000e-04  7.3212000000e-03  5.3339000000e-03 -4.7282000000e-03 -8.1924000000e-03 -4.6753000000e-03  3.0888000000e-03  7.5870000000e-04  6.9830000000e-04
-
-JOB 446
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5651100000e-01  4.8905600000e-01  6.8458200000e-01 -6.7985600000e-01 -2.0650600000e-01 -6.4139100000e-01 -5.1998700000e-01  1.3394920000e+00  1.9671190000e+00 -7.2540000000e-01  7.7365900000e-01  2.7113430000e+00  4.2628800000e-01  1.4731500000e+00  2.0212550000e+00
-ENERGY -1.526533571923e+02
-FORCES -7.9433000000e-03  1.7297300000e-02  2.4278000000e-02  5.1450000000e-03 -5.0495000000e-03 -5.4826000000e-03 -7.9840000000e-04  2.4986000000e-03  5.1391000000e-03  8.3868000000e-03 -1.4338000000e-02 -1.7833700000e-02  1.7666000000e-03  1.9654000000e-03 -5.5494000000e-03 -6.5567000000e-03 -2.3737000000e-03 -5.5150000000e-04
-
-JOB 447
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4512000000e-01  5.5440500000e-01  2.3165100000e-01  6.5599500000e-01  6.0901100000e-01 -3.3912800000e-01 -1.6556830000e+00  1.4863700000e+00  1.4510260000e+00 -1.2576260000e+00  8.6850500000e-01  2.0642350000e+00 -2.5157820000e+00  1.6760370000e+00  1.8258420000e+00
-ENERGY -1.526597316413e+02
-FORCES -8.0495000000e-03  1.0277300000e-02  2.7545000000e-03  6.4635000000e-03 -5.9240000000e-03  1.9551000000e-03 -2.2334000000e-03 -1.4408000000e-03  1.4401000000e-03  2.3301000000e-03 -4.4519000000e-03 -5.4010000000e-04 -3.4724000000e-03  3.1944000000e-03 -5.5371000000e-03  4.9618000000e-03 -1.6550000000e-03 -7.2400000000e-05
-
-JOB 448
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2162800000e-01  3.3239700000e-01 -7.3051200000e-01  8.3668500000e-01  4.5901700000e-01 -7.4121000000e-02  1.6218340000e+00  1.8885190000e+00  1.4243340000e+00  7.6047900000e-01  2.2774890000e+00  1.2726720000e+00  1.5162960000e+00  1.3769970000e+00  2.2264810000e+00
-ENERGY -1.526586366986e+02
-FORCES  6.2014000000e-03  4.3581000000e-03 -5.7680000000e-04  2.3918000000e-03  5.1040000000e-04  3.7446000000e-03 -6.7509000000e-03 -3.6060000000e-03 -2.8345000000e-03 -7.7447000000e-03 -3.0199000000e-03  4.1605000000e-03  4.5239000000e-03 -1.0386000000e-03 -1.2402000000e-03  1.3785000000e-03  2.7960000000e-03 -3.2535000000e-03
-
-JOB 449
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7770600000e-01  8.2797500000e-01 -4.9862000000e-02  6.3032100000e-01  1.2890600000e-01  7.0873900000e-01 -9.0057000000e-01 -2.0194630000e+00 -1.8729810000e+00 -1.1467420000e+00 -1.7409590000e+00 -2.7550620000e+00 -6.3291900000e-01 -1.2128420000e+00 -1.4325740000e+00
-ENERGY -1.526599268263e+02
-FORCES  1.9825000000e-03  6.8640000000e-04  3.6690000000e-03  2.3976000000e-03 -4.3091000000e-03 -7.0050000000e-04 -3.4847000000e-03  1.3733000000e-03 -2.5531000000e-03  3.1203000000e-03  6.2863000000e-03  3.6524000000e-03  8.4280000000e-04  3.0590000000e-04  3.5154000000e-03 -4.8584000000e-03 -4.3429000000e-03 -7.5832000000e-03
-
-JOB 450
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0281800000e-01  6.3131400000e-01 -7.1211100000e-01  6.2810800000e-01  4.0954200000e-01  5.9496900000e-01  6.4622700000e-01 -2.3474390000e+00  1.2950960000e+00  3.2051600000e-01 -2.0978170000e+00  2.1598690000e+00  3.7160300000e-01 -1.6333290000e+00  7.1989100000e-01
-ENERGY -1.526590830403e+02
-FORCES  2.1239000000e-03 -3.9470000000e-04 -9.8500000000e-04  1.3448000000e-03 -1.3128000000e-03  4.6097000000e-03 -3.9355000000e-03 -4.0401000000e-03 -2.7296000000e-03 -6.0654000000e-03  8.1715000000e-03 -5.1360000000e-03  1.8479000000e-03  5.6900000000e-04 -2.7281000000e-03  4.6842000000e-03 -2.9930000000e-03  6.9691000000e-03
-
-JOB 451
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2827400000e-01 -6.6115300000e-01 -2.9048300000e-01 -8.1479900000e-01 -2.3080800000e-01 -4.4616300000e-01 -4.4743900000e-01 -2.2308440000e+00  2.0697600000e+00 -1.7129000000e-01 -3.0853140000e+00  2.4012030000e+00  3.6407500000e-01 -1.7287750000e+00  1.9949020000e+00
-ENERGY -1.526552170254e+02
-FORCES -4.1123000000e-03 -5.5627000000e-03 -2.7783000000e-03 -1.2017000000e-03  2.6911000000e-03  2.9551000000e-03  3.7932000000e-03  2.2574000000e-03  2.1390000000e-04  4.0270000000e-03  1.8948000000e-03  1.4422000000e-03 -8.7110000000e-04  3.9006000000e-03 -2.3707000000e-03 -1.6350000000e-03 -5.1812000000e-03  5.3770000000e-04
-
-JOB 452
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2353500000e-01 -6.2665700000e-01  5.5480000000e-03 -6.3381600000e-01 -3.5973300000e-01  6.2056600000e-01 -1.7366600000e+00  5.0916900000e-01 -2.2894820000e+00 -2.3856400000e+00  8.8946000000e-01 -1.6975060000e+00 -9.3719800000e-01  4.5445800000e-01 -1.7659380000e+00
-ENERGY -1.526600931512e+02
-FORCES -1.1840000000e-03 -4.7423000000e-03  2.2282000000e-03 -3.8210000000e-03  2.7619000000e-03  6.2100000000e-05  3.1814000000e-03  1.9683000000e-03 -2.6872000000e-03  5.3636000000e-03  3.5330000000e-04  9.7480000000e-03  1.1112000000e-03 -1.6569000000e-03 -1.6687000000e-03 -4.6513000000e-03  1.3158000000e-03 -7.6824000000e-03
-
-JOB 453
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7111900000e-01  7.6544900000e-01  6.4363000000e-02 -5.7680900000e-01  6.6275000000e-02  7.6100700000e-01  1.0823070000e+00  1.4170030000e+00  2.5213180000e+00  2.0045250000e+00  1.4202180000e+00  2.2649290000e+00  9.9745800000e-01  6.6126900000e-01  3.1026090000e+00
-ENERGY -1.526568775710e+02
-FORCES  8.9200000000e-04  6.7789000000e-03  7.8906000000e-03  3.5000000000e-06 -3.0337000000e-03 -3.8791000000e-03  8.4000000000e-06 -2.9302000000e-03 -3.0735000000e-03  4.1121000000e-03 -4.6021000000e-03  1.8157000000e-03 -4.6005000000e-03  2.6670000000e-04 -1.0900000000e-04 -4.1550000000e-04  3.5203000000e-03 -2.6446000000e-03
-
-JOB 454
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0363300000e-01  4.9713300000e-01 -1.5252900000e-01 -5.0658800000e-01  1.0994600000e-01 -8.0468200000e-01 -2.1323970000e+00 -2.8698200000e-01 -2.3437570000e+00 -2.4515910000e+00 -6.8435700000e-01 -3.1539670000e+00 -2.7880890000e+00 -5.2134500000e-01 -1.6869660000e+00
-ENERGY -1.526602055370e+02
-FORCES -1.8500000000e-04  1.7784000000e-03 -6.3453000000e-03 -2.6659000000e-03 -1.7616000000e-03  3.9970000000e-04  3.7222000000e-03  7.4310000000e-04  8.0795000000e-03 -4.6704000000e-03 -3.7504000000e-03 -2.5457000000e-03  1.4260000000e-04  1.6424000000e-03  3.6553000000e-03  3.6565000000e-03  1.3480000000e-03 -3.2435000000e-03
-
-JOB 455
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7042400000e-01 -3.8600300000e-01  7.9373800000e-01  5.2670700000e-01  7.3505300000e-01  3.1385900000e-01 -6.0631900000e-01 -2.9197790000e+00 -2.8235900000e-01 -7.9270600000e-01 -3.7870280000e+00 -6.4204000000e-01 -1.4170730000e+00 -2.6627940000e+00  1.5680900000e-01
-ENERGY -1.526513601566e+02
-FORCES  1.4386000000e-03 -1.1780000000e-03  4.6379000000e-03 -8.0000000000e-04  2.2879000000e-03 -2.8703000000e-03 -1.9099000000e-03 -3.4148000000e-03 -1.7963000000e-03 -4.3206000000e-03 -1.6234000000e-03 -1.1789000000e-03  1.2099000000e-03  4.0032000000e-03  1.2415000000e-03  4.3820000000e-03 -7.4900000000e-05 -3.4000000000e-05
-
-JOB 456
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8365600000e-01  2.5487800000e-01  8.3909300000e-01 -3.1692300000e-01 -8.9099900000e-01 -1.4802800000e-01 -9.5681400000e-01 -2.5478870000e+00 -4.5395200000e-01 -1.4832760000e+00 -2.1768260000e+00 -1.1620360000e+00 -1.3798400000e-01 -2.8091520000e+00 -8.7524600000e-01
-ENERGY -1.526591919080e+02
-FORCES -6.3544000000e-03 -1.3778600000e-02  2.4479000000e-03  6.9750000000e-04 -8.9370000000e-04 -2.6203000000e-03  3.9751000000e-03  8.7266000000e-03 -4.5122000000e-03  1.1300000000e-03  3.7610000000e-04 -4.0863000000e-03  5.1154000000e-03  7.4920000000e-04  5.6498000000e-03 -4.5636000000e-03  4.8205000000e-03  3.1211000000e-03
-
-JOB 457
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7670200000e-01 -1.4781700000e-01 -8.6745500000e-01 -2.2102200000e-01  9.0825900000e-01  2.0602700000e-01  1.4243700000e+00 -2.1111010000e+00  4.9999600000e-01  1.4642860000e+00 -2.3689140000e+00  1.4209580000e+00  9.7753500000e-01 -1.2646240000e+00  5.0689400000e-01
-ENERGY -1.526589141054e+02
-FORCES  5.6353000000e-03 -8.2687000000e-03  3.6530000000e-04  1.2652000000e-03  3.0114000000e-03  4.6633000000e-03 -2.1440000000e-04 -4.3827000000e-03 -2.3822000000e-03 -9.1165000000e-03  1.3966600000e-02 -9.1050000000e-04 -8.8240000000e-04  2.5988000000e-03 -2.1617000000e-03  3.3127000000e-03 -6.9254000000e-03  4.2570000000e-04
-
-JOB 458
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2569000000e-02  6.1946600000e-01 -7.2961400000e-01  5.8939000000e-02 -8.5992600000e-01 -4.1627500000e-01  2.1889940000e+00 -1.3903050000e+00  1.3968970000e+00  2.4399350000e+00 -8.5081600000e-01  2.1467050000e+00  1.4180900000e+00 -9.5376700000e-01  1.0344420000e+00
-ENERGY -1.526590067950e+02
-FORCES  5.3030000000e-04  1.1315000000e-03 -6.1070000000e-03 -1.0696000000e-03 -3.3592000000e-03  2.8685000000e-03  3.0616000000e-03  4.6473000000e-03  5.5769000000e-03 -5.2785000000e-03  8.2274000000e-03 -2.7600000000e-05 -3.1470000000e-04 -1.8040000000e-03 -2.2726000000e-03  3.0709000000e-03 -8.8431000000e-03 -3.8300000000e-05
-
-JOB 459
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7593400000e-01  1.0277900000e-01  9.3526200000e-01  8.6306700000e-01 -1.2683600000e-01 -3.9403100000e-01  7.9354900000e-01 -1.9662000000e-01  2.9257130000e+00  9.5676700000e-01  6.7578200000e-01  3.2841910000e+00  1.1625810000e+00 -7.9565700000e-01  3.5747140000e+00
-ENERGY -1.526601219634e+02
-FORCES  4.9855000000e-03 -2.0457000000e-03  6.9060000000e-03 -2.4005000000e-03  3.6625000000e-03 -7.8560000000e-03 -2.7388000000e-03  5.6310000000e-04  6.5610000000e-04  1.9623000000e-03 -1.7380000000e-03  4.7859000000e-03 -7.0390000000e-04 -4.2832000000e-03 -2.6915000000e-03 -1.1047000000e-03  3.8412000000e-03 -1.8005000000e-03
-
-JOB 460
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1433900000e-01  2.6720600000e-01 -9.3894000000e-02 -7.7193000000e-02 -7.8572700000e-01 -5.4120900000e-01 -1.4657020000e+00  1.5571130000e+00 -1.9613250000e+00 -7.9325800000e-01  2.2361740000e+00 -2.0154240000e+00 -1.1461600000e+00  9.5600800000e-01 -1.2884220000e+00
-ENERGY -1.526592903070e+02
-FORCES  5.0576000000e-03 -1.8544000000e-03 -1.7366000000e-03 -4.8796000000e-03 -1.1187000000e-03 -1.3030000000e-04 -1.0923000000e-03  6.5937000000e-03  1.4339000000e-03  7.4076000000e-03 -2.6034000000e-03  9.4698000000e-03 -1.6417000000e-03 -1.8989000000e-03 -4.7720000000e-04 -4.8516000000e-03  8.8180000000e-04 -8.5596000000e-03
-
-JOB 461
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6453800000e-01 -6.7769500000e-01  1.2390000000e-01  2.4829300000e-01  2.5779900000e-01  8.8776200000e-01  2.6015800000e+00 -7.0074400000e-01 -1.9245600000e-01  3.0370030000e+00  9.2868000000e-02 -5.0361200000e-01  1.6707700000e+00 -4.7758200000e-01 -1.8755900000e-01
-ENERGY -1.526591601902e+02
-FORCES  2.0312000000e-03 -3.5789000000e-03  2.4289000000e-03  3.7377000000e-03  3.9063000000e-03  3.8960000000e-04  1.9555000000e-03 -3.2270000000e-03 -7.0420000000e-03 -1.4800200000e-02  4.6794000000e-03 -3.1037000000e-03 -2.4216000000e-03 -1.6266000000e-03  1.7024000000e-03  9.4974000000e-03 -1.5320000000e-04  5.6248000000e-03
-
-JOB 462
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8370000000e-01 -6.6917300000e-01 -4.8422500000e-01 -3.3636000000e-01 -6.0575000000e-02  8.9410600000e-01 -1.6163990000e+00 -1.9726800000e+00 -7.2962200000e-01 -2.1452690000e+00 -2.1299680000e+00 -1.5117920000e+00 -2.1866040000e+00 -2.2181290000e+00 -1.0260000000e-03
-ENERGY -1.526575712889e+02
-FORCES -1.1966800000e-02 -1.3638000000e-02 -3.0252000000e-03  4.9286000000e-03  5.3027000000e-03  3.4880000000e-04  5.1620000000e-04  3.0000000000e-07 -1.6116000000e-03  2.1266000000e-03  6.4506000000e-03  3.6672000000e-03  2.1411000000e-03  6.9750000000e-04  4.7346000000e-03  2.2542000000e-03  1.1870000000e-03 -4.1138000000e-03
-
-JOB 463
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1520000000e-03  6.8653200000e-01 -6.6697400000e-01  7.5296500000e-01  1.9839400000e-01  5.5670100000e-01  2.4525370000e+00 -2.2318870000e+00  1.1557120000e+00  1.6818540000e+00 -2.6598110000e+00  7.8266900000e-01  3.0771750000e+00 -2.9432750000e+00  1.2970840000e+00
-ENERGY -1.526575460739e+02
-FORCES  4.0829000000e-03  3.8921000000e-03 -5.0400000000e-05 -9.5400000000e-05 -2.5428000000e-03  2.6363000000e-03 -4.8215000000e-03  2.4680000000e-04 -2.9341000000e-03 -9.3710000000e-04 -5.2442000000e-03 -1.2715000000e-03  4.4315000000e-03  1.0171000000e-03  2.4088000000e-03 -2.6604000000e-03  2.6311000000e-03 -7.8910000000e-04
-
-JOB 464
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8245000000e-01  3.6387600000e-01 -7.1469000000e-02 -8.4183000000e-02 -8.9826700000e-01 -3.1978300000e-01 -2.7059250000e+00  1.3827600000e-01  1.3021090000e+00 -2.7725150000e+00  1.9738100000e-01  2.2551590000e+00 -3.0315630000e+00  9.8107100000e-01  9.8605800000e-01
-ENERGY -1.526562123444e+02
-FORCES -9.0427000000e-03 -3.4462000000e-03  2.4980000000e-03  4.6211000000e-03  2.4334000000e-03 -4.2572000000e-03  1.3990000000e-03  2.9181000000e-03  5.6660000000e-04  1.9220000000e-04  2.2750000000e-03  5.6545000000e-03 -1.1243000000e-03 -5.9600000000e-05 -4.2263000000e-03  3.9546000000e-03 -4.1208000000e-03 -2.3560000000e-04
-
-JOB 465
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7966500000e-01 -1.6744900000e-01  8.6258200000e-01  9.0963800000e-01  2.3736100000e-01  1.8014200000e-01 -8.0142400000e-01  2.1948670000e+00 -1.5040310000e+00 -1.7386290000e+00  2.3074990000e+00 -1.3453110000e+00 -5.5601000000e-01  1.4411940000e+00 -9.6739200000e-01
-ENERGY -1.526607213958e+02
-FORCES  1.0358000000e-03  2.0234000000e-03  2.6149000000e-03  2.2900000000e-03  1.1409000000e-03 -4.3216000000e-03 -5.9956000000e-03 -2.6590000000e-04 -9.6620000000e-04  5.1750000000e-04 -1.1587600000e-02  7.4447000000e-03  2.6272000000e-03 -7.8360000000e-04  3.4430000000e-04 -4.7490000000e-04  9.4727000000e-03 -5.1160000000e-03
-
-JOB 466
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9482300000e-01 -9.1686300000e-01  1.9400700000e-01 -5.0246500000e-01  4.9434500000e-01  6.4759900000e-01 -2.8890100000e-01 -2.7954390000e+00  7.6320300000e-01  6.0701200000e-01 -2.8353320000e+00  4.2856800000e-01 -7.2727800000e-01 -3.5478020000e+00  3.6570300000e-01
-ENERGY -1.526608412118e+02
-FORCES -4.9156000000e-03 -7.2799000000e-03  5.1006000000e-03  5.8879000000e-03  7.3666000000e-03 -3.3407000000e-03  1.4164000000e-03 -1.3130000000e-03 -2.1302000000e-03  1.1107000000e-03 -4.5995000000e-03 -2.3155000000e-03 -6.5096000000e-03  2.7423000000e-03  5.8450000000e-04  3.0102000000e-03  3.0835000000e-03  2.1014000000e-03
-
-JOB 467
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9972000000e-02  9.4558900000e-01 -1.4558600000e-01  1.7209600000e-01 -1.0430900000e-01  9.3580700000e-01 -1.2956380000e+00 -2.7272580000e+00  1.0171380000e+00 -1.9245770000e+00 -2.9669050000e+00  1.6977530000e+00 -1.2438380000e+00 -3.5004520000e+00  4.5524900000e-01
-ENERGY -1.526537792529e+02
-FORCES  1.5900000000e-05  1.1212000000e-03  4.6209000000e-03 -5.7480000000e-04 -4.0866000000e-03  5.2130000000e-04  6.6730000000e-04  2.8738000000e-03 -3.8068000000e-03 -2.5323000000e-03 -4.2795000000e-03 -1.5941000000e-03  2.9381000000e-03  1.6215000000e-03 -2.6174000000e-03 -5.1410000000e-04  2.7496000000e-03  2.8761000000e-03
-
-JOB 468
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3419000000e-02  8.4921100000e-01 -4.3842800000e-01 -2.3294000000e-01 -6.3489000000e-01 -6.7741100000e-01 -4.1866200000e-01 -1.8612760000e+00 -1.9353000000e+00  5.2349200000e-01 -1.9724880000e+00 -2.0626160000e+00 -7.7748100000e-01 -1.8206780000e+00 -2.8217720000e+00
-ENERGY -1.526596215936e+02
-FORCES -5.1632000000e-03 -7.4409000000e-03 -1.1600700000e-02  2.2580000000e-04 -2.8098000000e-03  4.1010000000e-04  6.3085000000e-03  4.7190000000e-03  6.3932000000e-03  1.4465000000e-03  3.1986000000e-03 -2.9950000000e-04 -6.0130000000e-03  2.7969000000e-03  1.2010000000e-03  3.1955000000e-03 -4.6370000000e-04  3.8959000000e-03
-
-JOB 469
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4684100000e-01  1.1233300000e-01  8.4297000000e-02  2.1578400000e-01 -6.9377500000e-01  6.2317300000e-01  1.4341370000e+00  1.2107430000e+00  2.6787220000e+00  1.8831690000e+00  5.1966100000e-01  3.1655560000e+00  1.9310490000e+00  2.0047860000e+00  2.8757170000e+00
-ENERGY -1.526526643417e+02
-FORCES -1.6996000000e-03 -4.9230000000e-04  5.9932000000e-03  3.4053000000e-03 -6.0480000000e-04 -9.1580000000e-04 -1.1368000000e-03  6.9820000000e-04 -3.4430000000e-03  4.3236000000e-03  1.7189000000e-03  1.5579000000e-03 -2.6553000000e-03  2.0466000000e-03 -2.7038000000e-03 -2.2373000000e-03 -3.3664000000e-03 -4.8840000000e-04
-
-JOB 470
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7804800000e-01 -1.1048900000e-01  3.6476900000e-01 -7.7343000000e-02  9.4079300000e-01 -1.5861500000e-01 -2.4797000000e-02  2.8399610000e+00 -8.4711000000e-02 -8.3882600000e-01  3.3285710000e+00  3.7145000000e-02  5.0648200000e-01  3.0644150000e+00  6.7922300000e-01
-ENERGY -1.526605877017e+02
-FORCES  2.0938000000e-03  1.2044100000e-02 -7.4970000000e-04 -2.5000000000e-03  1.0136000000e-03 -4.2890000000e-04  2.7530000000e-04 -1.0258800000e-02  1.0329000000e-03 -1.6750000000e-03  1.1760000000e-03  4.0044000000e-03  4.5363000000e-03 -2.1324000000e-03 -7.7000000000e-06 -2.7304000000e-03 -1.8425000000e-03 -3.8509000000e-03
-
-JOB 471
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5641400000e-01 -1.3003300000e-01  9.3533800000e-01  8.4426900000e-01 -1.8305400000e-01 -4.1223000000e-01  9.3570500000e-01 -3.3295200000e-01  2.8976680000e+00  7.4585500000e-01  3.2670600000e-01  3.5647820000e+00  1.6831920000e+00 -8.1867000000e-01  3.2463380000e+00
-ENERGY -1.526609948357e+02
-FORCES  5.3904000000e-03 -1.7376000000e-03  6.8110000000e-03 -3.6748000000e-03  1.5367000000e-03 -8.3810000000e-03 -2.5804000000e-03  4.1440000000e-04  6.4860000000e-04  2.5843000000e-03  4.4380000000e-04  4.3834000000e-03  1.4428000000e-03 -3.4679000000e-03 -2.6468000000e-03 -3.1623000000e-03  2.8106000000e-03 -8.1520000000e-04
-
-JOB 472
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1784000000e-02  1.3772200000e-01  9.4716700000e-01 -5.1652200000e-01  7.2961700000e-01 -3.4219200000e-01 -1.7399490000e+00  1.8923860000e+00 -1.2374870000e+00 -1.2993010000e+00  2.7261220000e+00 -1.4016390000e+00 -1.7697140000e+00  1.4641460000e+00 -2.0930310000e+00
-ENERGY -1.526615196742e+02
-FORCES -8.0252000000e-03  8.2345000000e-03 -1.4743000000e-03 -1.5810000000e-04  4.4420000000e-04 -3.0013000000e-03  8.2293000000e-03 -7.0594000000e-03  2.9372000000e-03  4.9200000000e-05  9.7450000000e-04 -4.8882000000e-03 -1.4459000000e-03 -5.1756000000e-03  1.2613000000e-03  1.3506000000e-03  2.5818000000e-03  5.1652000000e-03
-
-JOB 473
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6518700000e-01 -2.5885800000e-01 -3.1729400000e-01  6.1313900000e-01 -4.4201500000e-01 -5.8729500000e-01 -2.0879690000e+00  1.5208980000e+00 -2.2690880000e+00 -1.7094430000e+00  2.2031030000e+00 -2.8236570000e+00 -1.5704900000e+00  7.3935100000e-01 -2.4630770000e+00
-ENERGY -1.526529908601e+02
-FORCES -2.1237000000e-03 -1.8884000000e-03 -2.1933000000e-03  4.7393000000e-03 -2.7340000000e-04 -3.0090000000e-04 -3.1575000000e-03  2.4036000000e-03  1.4967000000e-03  5.2795000000e-03  1.4024000000e-03 -2.6843000000e-03 -1.9932000000e-03 -2.9764000000e-03  1.7493000000e-03 -2.7443000000e-03  1.3323000000e-03  1.9325000000e-03
-
-JOB 474
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4048000000e-01  6.1136400000e-01  7.2300200000e-01 -5.7515900000e-01 -7.3961700000e-01  1.9593400000e-01 -2.3674390000e+00  1.4025830000e+00  2.3510010000e+00 -3.1235260000e+00  1.9293720000e+00  2.0920460000e+00 -2.5070580000e+00  5.5678200000e-01  1.9251380000e+00
-ENERGY -1.526555848439e+02
-FORCES -1.9432000000e-03  6.5420000000e-04  4.4068000000e-03  1.0903000000e-03 -4.4951000000e-03 -4.4073000000e-03  1.1450000000e-03  3.2783000000e-03 -5.0760000000e-04 -5.9522000000e-03 -9.0400000000e-05 -2.2731000000e-03  3.1197000000e-03 -2.5643000000e-03  1.4336000000e-03  2.5404000000e-03  3.2172000000e-03  1.3476000000e-03
-
-JOB 475
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3500000000e-04  9.4268100000e-01  1.6608800000e-01  7.2090300000e-01 -3.3727100000e-01  5.3177000000e-01  3.2250000000e-01  2.9353440000e+00  3.9417400000e-01 -1.0209700000e-01  3.3050320000e+00 -3.7995800000e-01 -1.9792500000e-01  3.2573990000e+00  1.1301560000e+00
-ENERGY -1.526615294690e+02
-FORCES  4.3817000000e-03  8.7876000000e-03  3.1572000000e-03 -3.3201000000e-03 -9.7676000000e-03 -1.9015000000e-03 -2.4247000000e-03  7.0230000000e-04 -1.3233000000e-03 -2.5493000000e-03  5.4465000000e-03 -4.4360000000e-04  1.5461000000e-03 -2.7672000000e-03  4.5821000000e-03  2.3662000000e-03 -2.4016000000e-03 -4.0709000000e-03
-
-JOB 476
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4042400000e-01 -8.2654200000e-01  4.6188900000e-01  8.1737700000e-01 -1.2970300000e-01 -4.8094000000e-01 -2.6664470000e+00  9.8964100000e-01 -1.2015050000e+00 -1.9274260000e+00  3.9460000000e-01 -1.3280220000e+00 -2.2870430000e+00  1.7551230000e+00 -7.6985600000e-01
-ENERGY -1.526591551234e+02
-FORCES  3.6021000000e-03 -3.9430000000e-03  2.5958000000e-03  9.4630000000e-04  3.7311000000e-03 -2.9799000000e-03 -4.5628000000e-03  5.1880000000e-04  1.7124000000e-03  9.2026000000e-03 -2.9610000000e-04  4.2089000000e-03 -6.0519000000e-03  8.6340000000e-04 -3.4311000000e-03 -3.1363000000e-03 -8.7420000000e-04 -2.1061000000e-03
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-JOB 477
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0108300000e-01 -4.7345900000e-01 -4.4782900000e-01 -4.5509000000e-01  6.0648300000e-01  5.8421200000e-01 -2.0054780000e+00 -1.6735640000e+00 -1.1860880000e+00 -1.5255910000e+00 -1.8061330000e+00 -2.0036240000e+00 -1.9313710000e+00 -2.5096730000e+00 -7.2602200000e-01
-ENERGY -1.526614514494e+02
-FORCES -1.0619000000e-02 -4.2174000000e-03 -2.6902000000e-03  9.3914000000e-03  5.2711000000e-03  1.8502000000e-03  1.1148000000e-03 -2.1556000000e-03 -1.6177000000e-03  1.4053000000e-03 -5.2368000000e-03 -7.4900000000e-04 -1.1529000000e-03  1.8825000000e-03  6.0215000000e-03 -1.3950000000e-04  4.4561000000e-03 -2.8148000000e-03
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-JOB 478
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4101600000e-01  7.4632200000e-01  2.5794900000e-01  5.8467400000e-01 -5.5222900000e-01 -5.1906700000e-01  1.1851190000e+00 -2.2507160000e+00 -1.7220260000e+00  1.9324180000e+00 -2.7525000000e+00 -2.0475860000e+00  4.3670800000e-01 -2.8376810000e+00 -1.8296600000e+00
-ENERGY -1.526610473032e+02
-FORCES  5.6114000000e-03 -2.2958000000e-03 -3.2269000000e-03 -1.3978000000e-03 -2.6500000000e-03 -1.0006000000e-03 -4.7116000000e-03  6.6320000000e-03  5.2365000000e-03  1.5400000000e-05 -5.1994000000e-03 -2.0465000000e-03 -3.7546000000e-03  1.3493000000e-03  9.6630000000e-04  4.2372000000e-03  2.1639000000e-03  7.1200000000e-05
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-JOB 479
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5950200000e-01  3.5798200000e-01  5.9425500000e-01 -8.3653800000e-01  2.1198900000e-01  4.1412200000e-01 -1.9464430000e+00  8.3299000000e-02  1.7951900000e+00 -1.5561250000e+00 -2.6089500000e-01  2.5985670000e+00 -2.3494610000e+00  9.1034500000e-01  2.0593920000e+00
-ENERGY -1.526571626741e+02
-FORCES -1.2231400000e-02  1.9201000000e-03  1.3818400000e-02 -1.5207000000e-03 -1.3077000000e-03 -8.9560000000e-04  4.4479000000e-03  1.9206000000e-03 -6.7069000000e-03  7.7433000000e-03 -1.9379000000e-03 -1.0070000000e-03 -2.5041000000e-03  3.3962000000e-03 -3.1688000000e-03  4.0650000000e-03 -3.9913000000e-03 -2.0401000000e-03
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-JOB 480
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1015100000e-01  5.8933200000e-01  4.4343600000e-01  2.0355100000e-01 -6.7005500000e-01  6.5255300000e-01  2.0703070000e+00  1.8924000000e+00  1.2395400000e-01  1.3891740000e+00  1.2199050000e+00  1.1766700000e-01  1.8409730000e+00  2.4730500000e+00 -6.0163800000e-01
-ENERGY -1.526602688020e+02
-FORCES -1.4958000000e-03 -1.0497000000e-03  3.6738000000e-03  6.0379000000e-03 -1.8364000000e-03 -2.6025000000e-03 -5.9940000000e-04  4.9758000000e-03 -3.1761000000e-03 -9.5198000000e-03 -8.8351000000e-03 -4.5564000000e-03  5.7725000000e-03  8.3163000000e-03  4.1363000000e-03 -1.9540000000e-04 -1.5709000000e-03  2.5249000000e-03
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-JOB 481
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2053000000e-02  3.6616100000e-01  8.8221700000e-01  8.0150300000e-01  2.8856400000e-01 -4.3652800000e-01 -1.8725360000e+00 -1.9560660000e+00 -6.3847700000e-01 -2.1439280000e+00 -1.6065000000e+00 -1.4872300000e+00 -1.2146370000e+00 -1.3364830000e+00 -3.2301100000e-01
-ENERGY -1.526608781237e+02
-FORCES  5.6310000000e-04 -1.4732000000e-03 -4.7850000000e-04  5.8730000000e-04 -1.6555000000e-03 -4.7565000000e-03 -3.6325000000e-03  8.5900000000e-05  3.1440000000e-03  8.0206000000e-03  1.0305900000e-02  2.2350000000e-04  8.3290000000e-04 -1.2549000000e-03  1.8675000000e-03 -6.3714000000e-03 -6.0083000000e-03 -0.0000000000e+00
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-JOB 482
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4007600000e-01 -3.6943300000e-01  6.9862000000e-01  4.9611900000e-01 -7.4499300000e-01 -3.3923900000e-01 -5.7114500000e-01  5.5875300000e-01 -2.6469230000e+00 -8.2212700000e-01  1.4824360000e+00 -2.6398970000e+00 -3.6614600000e-01  3.5881300000e-01 -1.7335600000e+00
-ENERGY -1.526593943391e+02
-FORCES -2.7153000000e-03 -2.9879000000e-03 -5.9970000000e-04  3.8537000000e-03  1.1507000000e-03 -2.9364000000e-03 -5.2904000000e-03  5.8080000000e-03 -1.1609000000e-03  5.2500000000e-04  1.8439000000e-03  1.3688500000e-02  3.3560000000e-04 -2.5295000000e-03 -4.1800000000e-05  3.2913000000e-03 -3.2851000000e-03 -8.9497000000e-03
-
-JOB 483
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3592000000e-02 -7.6673500000e-01 -5.6827300000e-01  9.3592000000e-01  2.0030600000e-01  1.2773000000e-02 -2.4896610000e+00  7.6886100000e-01 -8.5207600000e-01 -2.9643220000e+00 -6.1127000000e-02 -8.0680400000e-01 -1.5666840000e+00  5.2064200000e-01 -7.9980100000e-01
-ENERGY -1.526557514904e+02
-FORCES  1.2172000000e-03  7.3020000000e-04 -1.2205000000e-03 -3.6821000000e-03  7.1831000000e-03  1.4195000000e-03 -4.6903000000e-03 -2.3346000000e-03  1.1470000000e-04  1.0209300000e-02 -3.0624000000e-03  5.8544000000e-03  3.1454000000e-03  1.8179000000e-03 -4.7340000000e-04 -6.1996000000e-03 -4.3342000000e-03 -5.6947000000e-03
-
-JOB 484
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3987400000e-01  5.7684600000e-01  4.1718400000e-01 -3.1041300000e-01  4.9461700000e-01 -7.5843900000e-01 -8.8020000000e-01  2.1298260000e+00  2.1473890000e+00  2.1663000000e-02  2.1333180000e+00  1.8266670000e+00 -9.2089700000e-01  2.8664990000e+00  2.7572160000e+00
-ENERGY -1.526501973116e+02
-FORCES -1.0650000000e-03  4.9481000000e-03 -5.8850000000e-04 -2.1851000000e-03  5.9500000000e-05  3.3600000000e-05  2.0895000000e-03 -2.4117000000e-03  2.7634000000e-03  3.4475000000e-03  2.3478000000e-03  1.6073000000e-03 -2.1162000000e-03 -1.2315000000e-03 -7.3300000000e-04 -1.7080000000e-04 -3.7123000000e-03 -3.0827000000e-03
-
-JOB 485
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2358100000e-01  5.9300700000e-01  6.2060700000e-01 -3.8866300000e-01 -6.8244100000e-01  5.4721700000e-01  1.8082840000e+00  2.4152870000e+00 -1.4287170000e+00  1.7153840000e+00  2.4217690000e+00 -2.3813760000e+00  2.3742470000e+00  1.6648090000e+00 -1.2478830000e+00
-ENERGY -1.526552459847e+02
-FORCES -5.5320000000e-04  1.4403000000e-03  4.8308000000e-03 -1.0695000000e-03 -4.4764000000e-03 -1.6860000000e-03  1.6906000000e-03  3.0032000000e-03 -2.5098000000e-03  2.7880000000e-04 -4.5576000000e-03 -4.4478000000e-03  1.1577000000e-03  6.2060000000e-04  3.4723000000e-03 -1.5044000000e-03  3.9699000000e-03  3.4050000000e-04
-
-JOB 486
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1289900000e-01  4.7248200000e-01 -1.7940800000e-01  6.7415600000e-01  4.9823300000e-01 -4.6207100000e-01  3.6921000000e-01  1.2460490000e+00  2.5586660000e+00  9.9520000000e-02  9.1580600000e-01  1.7016720000e+00  3.6578800000e-01  2.1982330000e+00  2.4608670000e+00
-ENERGY -1.526580311435e+02
-FORCES  1.1650000000e-03  1.2644000000e-03 -4.8390000000e-03  5.9356000000e-03 -5.0320000000e-04  4.7392000000e-03 -4.5065000000e-03 -1.3771000000e-03  3.8026000000e-03 -1.2333000000e-03 -3.8943000000e-03 -9.4257000000e-03 -1.1453000000e-03  8.2375000000e-03  7.2996000000e-03 -2.1560000000e-04 -3.7272000000e-03 -1.5768000000e-03
-
-JOB 487
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5177000000e-02  9.5483600000e-01 -6.5498000000e-02 -8.5644500000e-01 -2.5071800000e-01 -3.4622700000e-01 -2.0637750000e+00  1.0511220000e+00 -1.8874940000e+00 -2.0097120000e+00  1.1639400000e-01 -1.6885150000e+00 -1.3893190000e+00  1.1945610000e+00 -2.5513960000e+00
-ENERGY -1.526511272051e+02
-FORCES -6.9838000000e-03  7.8630000000e-03 -2.8254000000e-03  3.0628000000e-03 -3.8337000000e-03  8.8140000000e-04 -1.2028000000e-03 -3.0598000000e-03 -4.4669000000e-03  4.9663000000e-03 -4.1417000000e-03 -3.3681000000e-03  3.4888000000e-03  2.9485000000e-03  6.0513000000e-03 -3.3312000000e-03  2.2370000000e-04  3.7277000000e-03
-
-JOB 488
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6142100000e-01 -7.0223500000e-01  5.4080700000e-01  1.5181600000e-01  7.9673300000e-01  5.0833100000e-01  1.0272870000e+00 -2.4107360000e+00  1.0078610000e+00  4.3515300000e-01 -3.0436470000e+00  6.0161800000e-01  1.2055770000e+00 -2.7719320000e+00  1.8761820000e+00
-ENERGY -1.526612657113e+02
-FORCES  5.4056000000e-03 -7.1941000000e-03  5.7415000000e-03 -5.1585000000e-03  8.5285000000e-03 -3.9748000000e-03  6.2300000000e-05 -3.2207000000e-03 -5.8900000000e-04 -2.2186000000e-03 -2.6097000000e-03  0.0000000000e+00  3.1322000000e-03  3.1864000000e-03  3.1915000000e-03 -1.2232000000e-03  1.3096000000e-03 -4.3692000000e-03
-
-JOB 489
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2194000000e-02  4.8325100000e-01  8.2563000000e-01 -6.3410800000e-01  4.4414200000e-01 -5.6291800000e-01  1.0397010000e+00 -2.7136840000e+00  5.0848400000e-01  1.0331970000e+00 -2.7890690000e+00 -4.4572000000e-01  7.0807600000e-01 -1.8326670000e+00  6.8188200000e-01
-ENERGY -1.526590778093e+02
-FORCES -3.1593000000e-03  2.7175000000e-03 -8.1280000000e-04  2.1530000000e-04 -4.0092000000e-03 -3.7291000000e-03  3.1751000000e-03 -9.9870000000e-04  2.8743000000e-03 -3.7866000000e-03  8.9991000000e-03 -5.9739000000e-03  5.3030000000e-04 -1.8536000000e-03  2.4451000000e-03  3.0253000000e-03 -4.8551000000e-03  5.1964000000e-03
-
-JOB 490
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6337900000e-01 -2.2229400000e-01  3.4841700000e-01 -6.1654700000e-01 -3.9869800000e-01  6.1411900000e-01  2.1809700000e-01  2.6031500000e+00  8.0666400000e-01 -1.7885600000e-01  1.8675980000e+00  3.4016400000e-01 -5.2325300000e-01  3.0744280000e+00  1.1868320000e+00
-ENERGY -1.526595426475e+02
-FORCES  4.6507000000e-03  1.3532000000e-03  6.6086000000e-03 -4.9363000000e-03 -3.4870000000e-04 -1.9000000000e-03  2.5441000000e-03  3.5815000000e-03 -2.6948000000e-03 -2.9070000000e-03 -1.0454900000e-02 -4.8664000000e-03 -8.0700000000e-04  9.7042000000e-03  4.3104000000e-03  1.4555000000e-03 -3.8354000000e-03 -1.4579000000e-03
-
-JOB 491
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2558900000e-01 -6.0130000000e-03 -2.4388800000e-01  4.1080000000e-03  2.2873000000e-02  9.5691800000e-01 -1.9367000000e-01 -2.6810000000e-03  2.7646510000e+00  1.1105100000e-01 -8.9194000000e-01  2.5841090000e+00  6.0288700000e-01  4.8703500000e-01  2.9693640000e+00
-ENERGY -1.526560432524e+02
-FORCES -7.0670000000e-04  2.5058000000e-03  1.2596800000e-02 -2.8798000000e-03 -2.1620000000e-04  3.3942000000e-03  5.6281000000e-03 -5.6827000000e-03 -7.9184000000e-03  3.1394000000e-03 -1.5358000000e-03  9.6780000000e-04 -1.0168000000e-03  8.1943000000e-03 -4.6824000000e-03 -4.1643000000e-03 -3.2655000000e-03 -4.3580000000e-03
-
-JOB 492
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6633000000e-01  9.1340500000e-01 -1.0484400000e-01  9.5642900000e-01  3.0119000000e-02  2.3857000000e-02 -3.0982000000e+00 -4.2755400000e-01 -1.4831150000e+00 -2.7104900000e+00 -1.2714010000e+00 -1.2510910000e+00 -4.0288830000e+00 -6.1607100000e-01 -1.6036220000e+00
-ENERGY -1.526560697148e+02
-FORCES  1.9513000000e-03  4.9600000000e-03 -7.7250000000e-04  2.7292000000e-03 -3.4986000000e-03  1.2688000000e-03 -3.9334000000e-03 -1.8960000000e-04 -1.3500000000e-04 -9.0410000000e-04 -4.9445000000e-03  1.0175000000e-03 -3.6591000000e-03  2.8746000000e-03 -1.9082000000e-03  3.8161000000e-03  7.9820000000e-04  5.2940000000e-04
-
-JOB 493
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6971300000e-01 -6.9335300000e-01  6.0228600000e-01 -2.3399000000e-02  7.9056000000e-01  5.3916600000e-01  1.4611160000e+00  1.4634500000e+00 -1.6495960000e+00  1.0181100000e+00  7.1963200000e-01 -1.2412920000e+00  1.6768090000e+00  1.1597950000e+00 -2.5313570000e+00
-ENERGY -1.526603709017e+02
-FORCES  4.3674000000e-03  5.1813000000e-03  2.4510000000e-04 -1.2007000000e-03  4.0758000000e-03 -2.5749000000e-03  1.1352000000e-03 -5.4853000000e-03 -3.1698000000e-03 -8.0182000000e-03 -1.0238500000e-02  6.9768000000e-03  5.1322000000e-03  7.6891000000e-03 -4.9100000000e-03 -1.4160000000e-03 -1.2224000000e-03  3.4327000000e-03
-
-JOB 494
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3645300000e-01 -8.1682300000e-01 -4.3945600000e-01  3.9849400000e-01 -7.0122000000e-02  8.6747800000e-01  1.8821490000e+00  2.5001570000e+00  8.9172000000e-01  9.4385500000e-01  2.4773270000e+00  7.0379600000e-01  2.2231460000e+00  3.1939280000e+00  3.2724400000e-01
-ENERGY -1.526569280067e+02
-FORCES  4.7217000000e-03 -4.1365000000e-03  1.3470000000e-03 -1.1760000000e-03  2.8439000000e-03  1.8790000000e-03 -3.5016000000e-03  6.1950000000e-04 -3.5673000000e-03 -3.2966000000e-03  1.7951000000e-03 -5.1740000000e-03  4.4785000000e-03  1.2991000000e-03  3.3267000000e-03 -1.2260000000e-03 -2.4211000000e-03  2.1886000000e-03
-
-JOB 495
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3394000000e-02  1.5201200000e-01  9.4495800000e-01  7.8953800000e-01 -5.2048600000e-01 -1.4817700000e-01 -7.7060600000e-01  1.8445830000e+00 -3.4094310000e+00 -4.8917900000e-01  2.7014780000e+00 -3.7299940000e+00 -1.1842750000e+00  1.4292750000e+00 -4.1661540000e+00
-ENERGY -1.526524889092e+02
-FORCES  3.3317000000e-03 -1.1619000000e-03  2.5767000000e-03 -5.0500000000e-05 -5.2930000000e-04 -3.9152000000e-03 -3.2444000000e-03  1.8638000000e-03  8.9020000000e-04 -7.7540000000e-04  1.6817000000e-03 -4.0117000000e-03 -1.0906000000e-03 -3.5394000000e-03  1.3800000000e-03  1.8293000000e-03  1.6852000000e-03  3.0800000000e-03
-
-JOB 496
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4258200000e-01  3.2213500000e-01 -7.1976800000e-01 -4.4847600000e-01  2.9895900000e-01  7.9102700000e-01 -3.8399260000e+00 -1.3755990000e+00  1.2466190000e+00 -3.0721600000e+00 -1.0014750000e+00  1.6788220000e+00 -4.3797650000e+00 -6.1867100000e-01  1.0188770000e+00
-ENERGY -1.526529918530e+02
-FORCES -3.7823000000e-03  2.3535000000e-03 -5.7170000000e-04  2.4114000000e-03 -9.5860000000e-04  3.3138000000e-03  1.0256000000e-03 -1.6340000000e-03 -2.7319000000e-03  6.8800000000e-04  3.8036000000e-03  1.1357000000e-03 -3.0507000000e-03 -5.6740000000e-04 -1.9221000000e-03  2.7080000000e-03 -2.9970000000e-03  7.7620000000e-04
-
-JOB 497
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0851500000e-01 -1.3273500000e-01  2.7058000000e-01 -3.6233500000e-01  5.9280500000e-01  6.5842800000e-01  1.3852070000e+00 -2.6438740000e+00 -7.7945000000e-01  1.3475840000e+00 -2.7714860000e+00  1.6845900000e-01  2.3135470000e+00 -2.7294450000e+00 -9.9646300000e-01
-ENERGY -1.526528867457e+02
-FORCES  3.5938000000e-03  8.6030000000e-04  1.5721000000e-03 -3.7877000000e-03  1.7739000000e-03  1.3046000000e-03  1.6137000000e-03 -3.4223000000e-03 -2.7834000000e-03  1.4083000000e-03 -2.4795000000e-03  2.4960000000e-03  1.4162000000e-03  1.6364000000e-03 -3.8792000000e-03 -4.2444000000e-03  1.6312000000e-03  1.2899000000e-03
-
-JOB 498
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2662400000e-01 -4.3798000000e-02 -9.2895400000e-01 -5.4575000000e-02  9.3660300000e-01  1.8981200000e-01  4.3075500000e-01  3.5344700000e-01 -2.7188980000e+00  8.5641600000e-01  1.0356980000e+00 -3.2381080000e+00 -3.1224000000e-01  7.3460000000e-02 -3.2534980000e+00
-ENERGY -1.526602290932e+02
-FORCES  2.6599000000e-03  5.2016000000e-03 -1.2515800000e-02 -2.5369000000e-03 -3.4875000000e-03  7.1609000000e-03  1.2990000000e-04 -2.2284000000e-03  2.6120000000e-04 -1.0490000000e-03  1.5974000000e-03  1.4311000000e-03 -3.3241000000e-03 -3.1113000000e-03  1.2930000000e-03  4.1202000000e-03  2.0281000000e-03  2.3696000000e-03
-
-JOB 499
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2404400000e-01  5.9952600000e-01 -7.1176100000e-01  6.8314600000e-01  1.3999700000e-01  6.5570100000e-01 -2.7445490000e+00  5.2240900000e-01  2.0745400000e-01 -2.9660580000e+00 -7.5887000000e-02  9.2104200000e-01 -1.7939290000e+00  4.5121900000e-01  1.2093700000e-01
-ENERGY -1.526602556252e+02
-FORCES  1.4935000000e-03  2.3338000000e-03  1.0480000000e-03 -3.0572000000e-03 -2.4898000000e-03  5.1257000000e-03 -2.8922000000e-03 -6.9250000000e-04 -3.9593000000e-03  1.2396100000e-02 -5.5648000000e-03  2.1615000000e-03  2.7190000000e-04  1.8988000000e-03 -1.4900000000e-03 -8.2121000000e-03  4.5146000000e-03 -2.8860000000e-03
-
-JOB 500
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4001300000e-01  1.4403400000e-01  1.0891000000e-01  2.8824700000e-01  7.1517300000e-01 -5.6716200000e-01  7.4693900000e-01  2.7299030000e+00  1.4919980000e+00  4.2749500000e-01  2.6394910000e+00  2.3897800000e+00 -3.6432000000e-02  2.9225950000e+00  9.7679800000e-01
-ENERGY -1.526518854378e+02
-FORCES -1.5320000000e-04  5.4020000000e-03 -2.5810000000e-04  3.5879000000e-03  2.1550000000e-04 -6.5700000000e-05 -2.9290000000e-03 -3.0611000000e-03  7.6520000000e-04 -4.6503000000e-03 -2.6622000000e-03  2.5905000000e-03  1.0708000000e-03  1.3221000000e-03 -3.5628000000e-03  3.0738000000e-03 -1.2162000000e-03  5.3090000000e-04
-
-JOB 501
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3455100000e-01 -7.1238800000e-01 -7.7973000000e-02  6.1166300000e-01 -2.9615400000e-01  6.7408700000e-01 -1.3610740000e+00  2.1580670000e+00  9.9894500000e-01 -6.9922800000e-01  1.4778240000e+00  8.7460000000e-01 -1.9809190000e+00  1.7787940000e+00  1.6219820000e+00
-ENERGY -1.526573434758e+02
-FORCES -4.4427000000e-03 -1.8748000000e-03 -3.7300000000e-05  3.9016000000e-03  3.2299000000e-03  1.5237000000e-03 -5.6104000000e-03  4.2442000000e-03 -1.8184000000e-03  5.9686000000e-03 -1.2394200000e-02 -4.5481000000e-03 -2.0243000000e-03  6.8220000000e-03  7.2118000000e-03  2.2073000000e-03 -2.7200000000e-05 -2.3317000000e-03
-
-JOB 502
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8753400000e-01 -4.1697500000e-01 -3.4950600000e-01 -5.0800900000e-01 -7.2073000000e-01  3.7243400000e-01  2.0548220000e+00 -1.8369850000e+00  1.6994880000e+00  1.9572690000e+00 -1.7455390000e+00  7.5167400000e-01  1.4864830000e+00 -2.5720710000e+00  1.9294260000e+00
-ENERGY -1.526493931881e+02
-FORCES  1.9309000000e-03 -4.3771000000e-03  2.9531000000e-03 -1.3082000000e-03 -1.2392000000e-03  1.9538000000e-03  1.9230000000e-03  2.3364000000e-03 -2.5617000000e-03 -3.0189000000e-03 -1.8690000000e-03 -2.3297000000e-03 -1.4418000000e-03  1.3693000000e-03  1.3285000000e-03  1.9150000000e-03  3.7796000000e-03 -1.3441000000e-03
-
-JOB 503
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4499000000e-01  8.6460600000e-01  3.8427400000e-01  5.6604100000e-01 -5.8462500000e-01  5.0402700000e-01  2.0136330000e+00  9.8762500000e-01  2.6914270000e+00  1.9978550000e+00  1.9146460000e+00  2.9293660000e+00  1.1838210000e+00  6.4143100000e-01  3.0197470000e+00
-ENERGY -1.526561857157e+02
-FORCES  5.8411000000e-03  1.7872000000e-03  3.4663000000e-03 -3.0602000000e-03 -2.9181000000e-03 -1.6232000000e-03 -4.0680000000e-03  9.9560000000e-04 -1.6848000000e-03 -1.7998000000e-03  2.9556000000e-03  4.6891000000e-03 -4.6100000000e-04 -4.1830000000e-03 -1.4979000000e-03  3.5478000000e-03  1.3627000000e-03 -3.3496000000e-03
-
-JOB 504
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6998100000e-01 -1.6577600000e-01 -7.5091400000e-01 -7.7729400000e-01  4.1365700000e-01 -3.7541200000e-01  1.6116600000e+00  1.5980490000e+00  1.3814710000e+00  1.0190700000e+00  1.0175640000e+00  9.0386700000e-01  2.0504600000e+00  1.0270200000e+00  2.0120360000e+00
-ENERGY -1.526597777764e+02
-FORCES  2.6796000000e-03  5.6980000000e-03  5.5260000000e-04 -2.6552000000e-03  2.4735000000e-03  5.3709000000e-03  4.9724000000e-03 -2.3002000000e-03  1.1102000000e-03 -1.1873600000e-02 -1.2162600000e-02 -6.8230000000e-03  8.4236000000e-03  5.8075000000e-03  2.4674000000e-03 -1.5468000000e-03  4.8380000000e-04 -2.6783000000e-03
-
-JOB 505
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7159900000e-01  5.8316800000e-01  4.9942100000e-01 -5.8196900000e-01 -4.2451000000e-01 -6.3034500000e-01 -2.4834800000e-01  2.2344970000e+00 -2.1266190000e+00 -1.6195700000e-01  1.6283480000e+00 -1.3908530000e+00 -1.1756570000e+00  2.1968610000e+00 -2.3609560000e+00
-ENERGY -1.526567606219e+02
-FORCES -4.3720000000e-03 -3.9384000000e-03  2.5212000000e-03  3.4420000000e-03 -1.1018000000e-03 -5.9856000000e-03  2.9841000000e-03  5.1448000000e-03  2.3288000000e-03 -2.9220000000e-04 -4.9012000000e-03  4.2011000000e-03 -5.1645000000e-03  5.8577000000e-03 -4.9491000000e-03  3.4026000000e-03 -1.0611000000e-03  1.8837000000e-03
-
-JOB 506
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8201000000e-01 -8.0984600000e-01  4.7671100000e-01  7.8963500000e-01  1.5621500000e-01 -5.1798200000e-01  2.4555190000e+00  9.6171200000e-01 -9.0137100000e-01  3.0106560000e+00  5.4645000000e-01 -1.5613790000e+00  2.9394620000e+00  8.5937300000e-01 -8.1884000000e-02
-ENERGY -1.526596992864e+02
-FORCES  1.0970500000e-02  2.2971000000e-03 -4.5567000000e-03  8.5360000000e-04  2.9589000000e-03 -1.4154000000e-03 -8.4043000000e-03 -5.1873000000e-03  3.7515000000e-03  2.5308000000e-03 -1.8020000000e-04  2.9124000000e-03 -3.4869000000e-03  1.1070000000e-03  4.2378000000e-03 -2.4637000000e-03 -9.9550000000e-04 -4.9297000000e-03
-
-JOB 507
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7045000000e-01  6.9823000000e-02 -6.7959800000e-01 -8.8259000000e-02 -9.4054800000e-01  1.5431300000e-01  1.8593370000e+00  6.8899600000e-01 -1.7833700000e+00  1.7093730000e+00  1.6285180000e+00 -1.8884450000e+00  2.6297350000e+00  6.3065900000e-01 -1.2182910000e+00
-ENERGY -1.526598859742e+02
-FORCES  1.0348800000e-02  2.5155000000e-03 -1.2658700000e-02 -5.2988000000e-03 -3.1520000000e-03  9.6301000000e-03  2.4612000000e-03  2.7850000000e-03 -1.7342000000e-03 -3.2565000000e-03  3.5481000000e-03  5.6120000000e-03  1.6938000000e-03 -5.2367000000e-03  1.0600000000e-03 -5.9486000000e-03 -4.5990000000e-04 -1.9091000000e-03
-
-JOB 508
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9031800000e-01 -1.5080600000e-01  3.1752600000e-01  3.7673400000e-01 -8.7600500000e-01 -8.3171000000e-02  2.5649500000e-01 -2.7976840000e+00  1.0686000000e-02  3.1048500000e-01 -3.1014640000e+00  9.1679500000e-01  1.0642610000e+00 -3.1112010000e+00 -3.9607300000e-01
-ENERGY -1.526594783134e+02
-FORCES -2.5231000000e-03 -1.4587300000e-02  1.2200000000e-04  2.0277000000e-03  1.8239000000e-03  1.2550000000e-04  3.1914000000e-03  8.3935000000e-03 -5.5440000000e-04  1.3741000000e-03 -1.2544000000e-03  2.4505000000e-03 -1.8590000000e-04  1.9738000000e-03 -4.9540000000e-03 -3.8842000000e-03  3.6504000000e-03  2.8104000000e-03
-
-JOB 509
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9717300000e-01 -3.2569300000e-01  7.2370000000e-02 -4.2945000000e-02  6.7257600000e-01 -6.7972800000e-01  2.1657440000e+00 -1.5340590000e+00 -2.5361900000e-01  1.3464760000e+00 -1.0393330000e+00 -2.7027000000e-01  2.6457350000e+00 -1.1783510000e+00  4.9425300000e-01
-ENERGY -1.526600214941e+02
-FORCES  2.9876000000e-03 -3.8760000000e-03 -1.8131000000e-03  4.5536000000e-03  2.7114000000e-03 -1.2162000000e-03  7.1000000000e-06 -4.5620000000e-03  3.5596000000e-03 -1.3736600000e-02  1.0632100000e-02  4.4520000000e-03  7.2428000000e-03 -4.2314000000e-03 -3.0259000000e-03 -1.0545000000e-03 -6.7420000000e-04 -1.9565000000e-03
-
-JOB 510
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6308900000e-01  2.2779300000e-01  8.9169900000e-01  3.9025000000e-02 -9.5640200000e-01 -1.7800000000e-03  2.2640630000e+00  1.6027500000e+00  5.1107600000e-01  1.4945750000e+00  1.0425600000e+00  4.0955000000e-01  3.0077750000e+00  1.0048480000e+00  4.3598900000e-01
-ENERGY -1.526584844988e+02
-FORCES -6.6980000000e-04 -3.1981000000e-03  2.0034000000e-03  6.2216000000e-03  8.4700000000e-05 -5.5612000000e-03 -1.5610000000e-04  5.0683000000e-03  5.9210000000e-04 -6.9901000000e-03 -9.4054000000e-03 -5.1702000000e-03  3.9765000000e-03  6.0638000000e-03  7.7230000000e-03 -2.3822000000e-03  1.3867000000e-03  4.1280000000e-04
-
-JOB 511
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2801000000e-02  6.5591300000e-01  6.9093900000e-01  5.9568100000e-01  4.0086900000e-01 -6.3300900000e-01 -1.1191290000e+00  1.3755710000e+00  2.1618990000e+00 -1.2188440000e+00  8.6593100000e-01  2.9659870000e+00 -2.0060750000e+00  1.6673840000e+00  1.9511780000e+00
-ENERGY -1.526610909043e+02
-FORCES -2.3385000000e-03  6.0589000000e-03  7.2859000000e-03  5.1821000000e-03 -4.1288000000e-03 -8.3909000000e-03 -2.5154000000e-03  6.4300000000e-05  3.0675000000e-03 -3.7704000000e-03 -3.8727000000e-03 -6.4330000000e-04 -4.7100000000e-04  2.9619000000e-03 -3.4474000000e-03  3.9131000000e-03 -1.0836000000e-03  2.1282000000e-03
-
-JOB 512
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0281500000e-01  3.8146700000e-01  7.8003500000e-01  3.8938900000e-01 -8.7166800000e-01 -6.9297000000e-02  1.3374970000e+00  1.9002170000e+00 -1.5295120000e+00  1.1032690000e+00  2.8203730000e+00 -1.4083360000e+00  6.3947900000e-01  1.4149550000e+00 -1.0895990000e+00
-ENERGY -1.526601033171e+02
-FORCES  6.4971000000e-03 -2.1518000000e-03  2.6550000000e-04 -2.1777000000e-03 -3.8820000000e-04 -5.3865000000e-03 -2.0943000000e-03  3.9200000000e-03  1.7815000000e-03 -7.4017000000e-03 -6.6525000000e-03  4.1001000000e-03 -1.9670000000e-04 -4.0259000000e-03  1.4462000000e-03  5.3732000000e-03  9.2984000000e-03 -2.2068000000e-03
-
-JOB 513
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9882700000e-01  4.9700500000e-01  5.5733600000e-01 -2.3889900000e-01 -9.1514100000e-01  1.4722700000e-01  1.7209530000e+00  3.1674110000e+00 -6.6045500000e-01  8.5183600000e-01  3.1465250000e+00 -2.5991700000e-01  2.2848340000e+00  2.7136170000e+00 -3.4084000000e-02
-ENERGY -1.526538061427e+02
-FORCES -4.0254000000e-03 -3.0218000000e-03  2.1854000000e-03  3.2705000000e-03 -9.2970000000e-04 -2.3131000000e-03  1.1027000000e-03  4.0122000000e-03 -5.8480000000e-04 -1.5911000000e-03 -4.4976000000e-03  3.6807000000e-03  2.8460000000e-03  1.2650000000e-03 -8.8830000000e-04 -1.6027000000e-03  3.1718000000e-03 -2.0800000000e-03
-
-JOB 514
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2433300000e-01 -8.1257300000e-01 -2.7549700000e-01  2.3455700000e-01  4.3766300000e-01 -8.1833100000e-01 -1.6643740000e+00  1.9257480000e+00  6.6477100000e-01 -1.0412030000e+00  1.2619930000e+00  3.6927200000e-01 -2.3745080000e+00  1.8904230000e+00  2.3918000000e-02
-ENERGY -1.526559415243e+02
-FORCES -6.4397000000e-03  2.6627000000e-03  2.7920000000e-04  2.1503000000e-03  5.3692000000e-03  2.7910000000e-04 -6.0624000000e-03 -9.8600000000e-05  6.4778000000e-03  1.0723600000e-02 -1.5876200000e-02 -4.1116000000e-03 -3.7523000000e-03  9.4844000000e-03 -3.7473000000e-03  3.3804000000e-03 -1.5415000000e-03  8.2280000000e-04
-
-JOB 515
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5091200000e-01 -7.3315100000e-01 -4.1880700000e-01  6.5336300000e-01  2.7814500000e-01 -6.4186000000e-01  1.7846760000e+00  7.0563800000e-01 -1.9109710000e+00  2.2624630000e+00 -1.0162000000e-02 -2.3299960000e+00  1.0393030000e+00  8.6756600000e-01 -2.4892690000e+00
-ENERGY -1.526577688489e+02
-FORCES  1.1856000000e-02  1.8390000000e-03 -1.0815900000e-02  2.0153000000e-03  2.6577000000e-03 -3.1720000000e-04 -1.0417100000e-02 -9.5090000000e-04  2.8498000000e-03 -2.1759000000e-03 -3.6391000000e-03  1.8000000000e-05 -3.8283000000e-03  3.7264000000e-03  1.5890000000e-03  2.5499000000e-03 -3.6331000000e-03  6.6764000000e-03
-
-JOB 516
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2469400000e-01 -5.6880400000e-01  7.5970000000e-01 -6.8416200000e-01  6.6431400000e-01  8.2714000000e-02 -1.3732890000e+00  2.2238410000e+00  3.9983400000e-01 -8.8801000000e-01  2.8570130000e+00  9.2882300000e-01 -1.8906460000e+00  2.7597710000e+00 -2.0129200000e-01
-ENERGY -1.526594194519e+02
-FORCES -9.4741000000e-03  1.2437600000e-02  3.1426000000e-03 -1.0770000000e-04  3.0195000000e-03 -1.4445000000e-03  3.2022000000e-03 -7.9755000000e-03 -1.1437000000e-03  7.2133000000e-03 -4.2088000000e-03 -1.2048000000e-03 -4.0932000000e-03 -1.5075000000e-03 -2.7705000000e-03  3.2595000000e-03 -1.7654000000e-03  3.4208000000e-03
-
-JOB 517
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8929800000e-01 -8.9895300000e-01 -2.6885100000e-01 -6.7014400000e-01 -8.8275000000e-02  6.7775100000e-01  1.6441870000e+00  9.6422800000e-01 -2.5991380000e+00  1.6281860000e+00  1.9050130000e+00 -2.7749200000e+00  1.3295930000e+00  8.8293200000e-01 -1.6987750000e+00
-ENERGY -1.526595538648e+02
-FORCES -3.8635000000e-03 -4.1585000000e-03  2.8334000000e-03 -4.3590000000e-04  4.8129000000e-03  1.4172000000e-03  2.6881000000e-03 -6.7610000000e-04 -2.7851000000e-03 -3.2132000000e-03  3.4160000000e-03  4.9464000000e-03  2.1250000000e-04 -3.1284000000e-03  4.1310000000e-04  4.6122000000e-03 -2.6580000000e-04 -6.8251000000e-03
-
-JOB 518
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5026200000e-01 -3.8053400000e-01  8.0544500000e-01 -4.8743000000e-02 -7.0891200000e-01 -6.4132700000e-01  4.4576400000e-01 -2.3883200000e+00 -1.2875490000e+00 -2.2010200000e-01 -2.0974260000e+00 -1.9106340000e+00  1.2742630000e+00 -2.2835940000e+00 -1.7553660000e+00
-ENERGY -1.526548848608e+02
-FORCES  2.7592000000e-03 -1.5546400000e-02 -2.1765000000e-03  5.4610000000e-04  1.9456000000e-03 -2.1075000000e-03 -5.5044000000e-03  6.2331000000e-03 -4.6069000000e-03  3.4877000000e-03  3.1889000000e-03 -1.3234000000e-03  3.9116000000e-03  4.5039000000e-03  8.2007000000e-03 -5.2002000000e-03 -3.2510000000e-04  2.0136000000e-03
-
-JOB 519
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5528500000e-01  7.2813000000e-01 -2.7877900000e-01 -4.6418700000e-01 -3.8485900000e-01  7.4340200000e-01  2.4900170000e+00 -4.9356700000e-01  7.0607100000e-01  2.6566020000e+00 -1.6704900000e-01  1.5903040000e+00  1.6100630000e+00 -1.8054900000e-01  4.9647200000e-01
-ENERGY -1.526582754847e+02
-FORCES  5.3197000000e-03  1.6900000000e-05  2.0747000000e-03  1.5301000000e-03 -4.5530000000e-03  2.5399000000e-03  4.0465000000e-03  3.7761000000e-03 -3.2452000000e-03 -1.4655600000e-02  5.5092000000e-03 -4.7590000000e-03 -2.7752000000e-03 -7.3920000000e-04 -2.5224000000e-03  6.5346000000e-03 -4.0101000000e-03  5.9120000000e-03
-
-JOB 520
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5349000000e-02 -8.9628500000e-01  3.3566200000e-01 -7.7051400000e-01  3.0724000000e-02 -5.6709400000e-01 -2.4945290000e+00 -7.7126600000e-01 -1.4518560000e+00 -3.2780290000e+00 -4.8254300000e-01 -9.8388300000e-01 -2.4608910000e+00 -2.1462800000e-01 -2.2298370000e+00
-ENERGY -1.526600610929e+02
-FORCES -8.4844000000e-03 -6.6758000000e-03 -3.7777000000e-03  1.2336000000e-03  2.9312000000e-03  2.3770000000e-04  6.7694000000e-03  5.3573000000e-03  2.0802000000e-03 -5.2227000000e-03  1.2332000000e-03 -1.6917000000e-03  4.4007000000e-03 -1.0819000000e-03 -2.5170000000e-03  1.3034000000e-03 -1.7641000000e-03  5.6685000000e-03
-
-JOB 521
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7862700000e-01 -5.9386800000e-01 -7.2914000000e-01 -3.1159700000e-01  8.5277300000e-01 -3.0317800000e-01  2.8084400000e+00 -2.8479100000e-01 -1.4453740000e+00  2.0735370000e+00 -7.7989900000e-01 -1.8073360000e+00  2.4090940000e+00  5.0441700000e-01 -1.0794430000e+00
-ENERGY -1.526534445669e+02
-FORCES -3.7211000000e-03 -3.1110000000e-04 -2.8802000000e-03  2.8530000000e-03  2.9534000000e-03  1.9841000000e-03  3.4100000000e-03 -3.8576000000e-03  8.4280000000e-04 -7.5296000000e-03  1.2600000000e-03  4.1008000000e-03  1.6016000000e-03  8.6670000000e-04 -2.1840000000e-04  3.3861000000e-03 -9.1130000000e-04 -3.8291000000e-03
-
-JOB 522
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8785800000e-01  3.4330900000e-01 -4.2148600000e-01 -1.4699300000e-01  1.4167300000e-01  9.3517600000e-01  1.0210390000e+00 -2.2986200000e+00 -9.1329800000e-01  6.7277900000e-01 -2.4660070000e+00 -1.7890420000e+00  4.5507100000e-01 -1.6139190000e+00 -5.5679100000e-01
-ENERGY -1.526584494845e+02
-FORCES  8.1990000000e-04 -2.8014000000e-03  1.5300000000e-05  4.1789000000e-03 -3.1312000000e-03  2.2040000000e-03  9.9000000000e-06 -7.2010000000e-04 -5.5440000000e-03 -6.3159000000e-03  1.3950700000e-02  3.8780000000e-03 -8.1200000000e-05  1.9278000000e-03  2.7656000000e-03  1.3884000000e-03 -9.2258000000e-03 -3.3188000000e-03
-
-JOB 523
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6863700000e-01  5.7580000000e-03 -4.0208000000e-01  1.5970900000e-01  2.1313800000e-01  9.1940000000e-01 -2.5812980000e+00  5.0088000000e-02 -7.0068400000e-01 -1.7427120000e+00 -4.1119200000e-01 -7.1574500000e-01 -2.4096410000e+00  8.4359300000e-01 -1.9362000000e-01
-ENERGY -1.526572387182e+02
-FORCES -3.8137000000e-03  7.1710000000e-04  4.7550000000e-04 -4.4179000000e-03  7.1500000000e-05  2.5017000000e-03 -4.3040000000e-04  1.4200000000e-04 -5.0287000000e-03  1.6342300000e-02  2.3882000000e-03  4.4795000000e-03 -4.7119000000e-03 -2.6717000000e-03 -2.6684000000e-03 -2.9684000000e-03 -6.4720000000e-04  2.4030000000e-04
-
-JOB 524
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0284300000e-01  9.1970400000e-01  1.7097200000e-01  1.3678200000e-01 -3.8086200000e-01  8.6744900000e-01  2.4207320000e+00 -3.6191000000e-02 -1.9310470000e+00  1.9826170000e+00  4.0064300000e-01 -1.2006610000e+00  1.8533560000e+00  1.2822500000e-01 -2.6842290000e+00
-ENERGY -1.526571241834e+02
-FORCES -2.4796000000e-03 -8.0370000000e-04  5.3940000000e-03  3.1740000000e-03 -4.1887000000e-03 -2.1466000000e-03 -6.5760000000e-04  2.5191000000e-03 -4.0213000000e-03 -8.9007000000e-03  4.3230000000e-04  2.7848000000e-03  6.0991000000e-03  2.0379000000e-03 -3.7442000000e-03  2.7649000000e-03  3.1000000000e-06  1.7332000000e-03
-
-JOB 525
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2640100000e-01 -4.4969400000e-01  6.6099100000e-01 -4.3538300000e-01 -7.0443300000e-01 -4.8005000000e-01  1.5520220000e+00 -2.1592780000e+00  1.0024110000e+00  1.7378690000e+00 -2.5537430000e+00  1.5030200000e-01  2.4086500000e+00 -1.8906770000e+00  1.3344860000e+00
-ENERGY -1.526587217627e+02
-FORCES  4.4502000000e-03 -1.2111600000e-02  4.5414000000e-03 -2.3679000000e-03  7.9171000000e-03 -1.5383000000e-03  1.0631000000e-03  2.3389000000e-03 -3.2970000000e-04  3.1007000000e-03  2.1280000000e-04 -4.8676000000e-03 -1.2855000000e-03  1.7221000000e-03  4.2382000000e-03 -4.9607000000e-03 -7.9300000000e-05 -2.0440000000e-03
-
-JOB 526
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5085100000e-01 -1.8165000000e-02 -1.0855100000e-01 -3.0925000000e-01 -7.7901600000e-01 -4.6231000000e-01 -1.7519930000e+00 -1.6849880000e+00 -9.4561300000e-01 -1.5522620000e+00 -1.9410780000e+00 -1.8460340000e+00 -2.7082960000e+00 -1.6763040000e+00 -9.0509000000e-01
-ENERGY -1.526556543855e+02
-FORCES -9.9378000000e-03 -8.9511000000e-03 -3.5105000000e-03 -4.4036000000e-03 -2.3681000000e-03 -1.6766000000e-03  8.5160000000e-03  2.3030000000e-03 -1.7056000000e-03  6.4590000000e-04  8.1687000000e-03  3.6400000000e-03  1.2154000000e-03  2.5314000000e-03  5.4955000000e-03  3.9641000000e-03 -1.6839000000e-03 -2.2428000000e-03
-
-JOB 527
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2542000000e-01 -1.5914300000e-01  8.4256900000e-01  6.8633500000e-01  3.8203400000e-01 -5.4701500000e-01  1.1470200000e+00 -7.4912100000e-01  2.4781030000e+00  4.4737100000e-01 -1.3990700000e+00  2.5435930000e+00  1.9299480000e+00 -1.2077700000e+00  2.7828920000e+00
-ENERGY -1.526604241469e+02
-FORCES  8.3865000000e-03 -2.6110000000e-04  7.8759000000e-03 -7.6618000000e-03 -4.4930000000e-04 -6.1333000000e-03 -1.7428000000e-03 -1.2219000000e-03  1.5467000000e-03  1.2072000000e-03 -4.0468000000e-03 -4.1750000000e-04  4.1270000000e-03  4.5728000000e-03 -2.3912000000e-03 -4.3161000000e-03  1.4063000000e-03 -4.8060000000e-04
-
-JOB 528
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1820100000e-01  6.2959400000e-01 -5.0130900000e-01 -5.7170400000e-01  5.4011000000e-01  5.4558900000e-01 -2.7539230000e+00  1.7830070000e+00 -1.1965690000e+00 -3.3138570000e+00  1.9770910000e+00 -1.9482580000e+00 -1.9413420000e+00  1.4542930000e+00 -1.5811350000e+00
-ENERGY -1.526561617267e+02
-FORCES  2.0920000000e-04  4.2112000000e-03  2.9850000000e-03 -3.5315000000e-03 -2.6447000000e-03  7.4320000000e-04  3.6991000000e-03 -2.6593000000e-03 -3.2294000000e-03  1.5190000000e-04 -1.7548000000e-03 -5.2009000000e-03  2.5708000000e-03 -8.5110000000e-04  2.8614000000e-03 -3.0995000000e-03  3.6988000000e-03  1.8407000000e-03
-
-JOB 529
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3628200000e-01  4.6167100000e-01 -7.6811900000e-01 -1.5444000000e-01 -8.9380500000e-01 -3.0576500000e-01  3.3924210000e+00  1.4056970000e+00  1.4000150000e+00  2.8091600000e+00  1.5566300000e+00  6.5620300000e-01  3.4784760000e+00  4.5359000000e-01  1.4481710000e+00
-ENERGY -1.526543829786e+02
-FORCES -1.2623000000e-03 -2.3692000000e-03 -4.7155000000e-03  3.4800000000e-05 -1.6444000000e-03  4.0570000000e-03  9.2670000000e-04  3.9272000000e-03  1.3862000000e-03 -3.9192000000e-03 -4.0439000000e-03 -2.1405000000e-03  3.3345000000e-03  3.2490000000e-04  1.6853000000e-03  8.8550000000e-04  3.8055000000e-03 -2.7250000000e-04
-
-JOB 530
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9039600000e-01  5.3890800000e-01  3.2933000000e-02  4.1995000000e-02 -4.1725300000e-01  8.6044700000e-01 -2.3004010000e+00  1.2256780000e+00 -6.5104700000e-01 -3.0114280000e+00  7.5070200000e-01 -2.2084900000e-01 -2.3454650000e+00  9.4807600000e-01 -1.5660000000e+00
-ENERGY -1.526594347206e+02
-FORCES -1.2450900000e-02  7.8424000000e-03 -1.8310000000e-03  8.1489000000e-03 -6.2979000000e-03  4.0830000000e-03 -2.7184000000e-03  1.9777000000e-03 -2.6235000000e-03  3.0169000000e-03 -6.6284000000e-03 -3.3241000000e-03  5.1317000000e-03  1.5325000000e-03 -1.4338000000e-03 -1.1282000000e-03  1.5738000000e-03  5.1294000000e-03
-
-JOB 531
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4173500000e-01  1.0495000000e-01  8.4266700000e-01  6.9362500000e-01  6.5957400000e-01  8.8530000000e-03 -9.8958600000e-01 -8.8582200000e-01  2.4778190000e+00 -8.0388600000e-01 -6.5489100000e-01  3.3879940000e+00 -1.9276290000e+00 -1.0759390000e+00  2.4650550000e+00
-ENERGY -1.526588205161e+02
-FORCES -1.4753000000e-03 -1.4486000000e-03  9.9685000000e-03  1.3127000000e-03  4.3964000000e-03 -8.6068000000e-03 -2.2876000000e-03 -2.2007000000e-03  1.0997000000e-03 -1.4163000000e-03 -1.7337000000e-03  2.0835000000e-03 -1.1414000000e-03 -9.8110000000e-04 -4.6349000000e-03  5.0078000000e-03  1.9677000000e-03  9.0000000000e-05
-
-JOB 532
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6351000000e-02  9.3673100000e-01  1.9351000000e-01 -8.8104100000e-01 -3.1961000000e-01  1.9454700000e-01 -2.5382540000e+00 -1.4191430000e+00  4.1173400000e-01 -3.1588840000e+00 -1.0496720000e+00  1.0398600000e+00 -2.9955760000e+00 -1.3809950000e+00 -4.2828500000e-01
-ENERGY -1.526608708554e+02
-FORCES -8.1750000000e-03 -2.6250000000e-03  2.6001000000e-03 -1.0340000000e-03 -3.2748000000e-03 -3.6800000000e-04  8.6840000000e-03  6.9999000000e-03 -2.3709000000e-03 -5.4366000000e-03 -1.0617000000e-03 -9.4220000000e-04  3.5232000000e-03 -8.8350000000e-04 -3.7636000000e-03  2.4384000000e-03  8.4510000000e-04  4.8445000000e-03
-
-JOB 533
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8761600000e-01 -1.1193900000e-01 -8.6801800000e-01 -4.9281500000e-01 -8.0701200000e-01  1.4864700000e-01 -2.0953380000e+00  2.1323790000e+00  3.6952200000e-01 -2.9994930000e+00  1.8185080000e+00  3.8439700000e-01 -1.5710670000e+00  1.3466670000e+00  2.1451100000e-01
-ENERGY -1.526598405450e+02
-FORCES  3.4503000000e-03 -4.4167000000e-03 -3.4435000000e-03 -2.2110000000e-03 -2.4920000000e-04  4.4889000000e-03  5.7120000000e-04  5.7074000000e-03 -1.2002000000e-03  3.9985000000e-03 -6.3064000000e-03 -9.4510000000e-04  3.6511000000e-03 -1.2570000000e-04 -1.9100000000e-04 -9.4600000000e-03  5.3905000000e-03  1.2909000000e-03
-
-JOB 534
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0824000000e-01 -6.2048700000e-01  5.2241700000e-01  1.2589200000e-01  8.4188600000e-01  4.3773500000e-01  7.0632600000e-01  2.0766180000e+00  1.5228590000e+00  1.1783110000e+00  2.8605220000e+00  1.2418690000e+00  1.0738140000e+00  1.8703840000e+00  2.3823080000e+00
-ENERGY -1.526584612733e+02
-FORCES  6.3830000000e-03  1.2090200000e-02  1.1203100000e-02 -1.2851000000e-03  1.1400000000e-03 -7.8530000000e-04 -3.0266000000e-03 -4.6466000000e-03 -5.1514000000e-03  5.3010000000e-04 -6.1915000000e-03 -3.2648000000e-03 -1.8822000000e-03 -4.1246000000e-03  2.5364000000e-03 -7.1930000000e-04  1.7325000000e-03 -4.5380000000e-03
-
-JOB 535
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7252900000e-01 -3.9196500000e-01 -3.5889000000e-02 -3.4749400000e-01 -1.0639500000e-01 -8.8552800000e-01 -8.8017600000e-01 -7.7114000000e-02 -2.5274220000e+00 -1.8110240000e+00  1.3676200000e-01 -2.5907490000e+00 -4.4960100000e-01  5.5114300000e-01 -3.1071890000e+00
-ENERGY -1.526601298605e+02
-FORCES -3.8728000000e-03 -2.2476000000e-03 -1.6582800000e-02 -2.2237000000e-03  1.4948000000e-03 -1.1663000000e-03  1.9457000000e-03  2.7570000000e-04  9.7352000000e-03  1.5805000000e-03  4.1537000000e-03  5.1247000000e-03  5.5539000000e-03 -3.3330000000e-04  4.0140000000e-04 -2.9835000000e-03 -3.3433000000e-03  2.4878000000e-03
-
-JOB 536
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3675900000e-01 -6.9241700000e-01  4.9601700000e-01  8.2543600000e-01 -3.9253500000e-01 -2.8425800000e-01 -1.2539790000e+00  8.4120600000e-01  3.3946190000e+00 -1.1789790000e+00  1.6217950000e+00  3.9435160000e+00 -4.8557200000e-01  3.1597900000e-01  3.6180500000e+00
-ENERGY -1.526537364967e+02
-FORCES  1.5240000000e-04 -4.0978000000e-03  1.1080000000e-03  2.9224000000e-03  1.9797000000e-03 -2.5187000000e-03 -3.2296000000e-03  1.8137000000e-03  1.6151000000e-03  4.0260000000e-03  2.4352000000e-03  2.4749000000e-03 -3.7280000000e-04 -3.3273000000e-03 -1.8414000000e-03 -3.4984000000e-03  1.1964000000e-03 -8.3790000000e-04
-
-JOB 537
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1968500000e-01 -7.4309900000e-01  5.6193800000e-01 -4.6112700000e-01  6.0899900000e-01  5.7681400000e-01 -2.0880740000e+00 -9.3846000000e-01 -1.4685450000e+00 -1.3723650000e+00 -8.7385700000e-01 -8.3623200000e-01 -2.1550390000e+00 -6.1234000000e-02 -1.8456680000e+00
-ENERGY -1.526570421475e+02
-FORCES -3.5095000000e-03  2.4520000000e-04  1.3344000000e-03 -4.7353000000e-03  3.0858000000e-03 -5.0117000000e-03  1.5117000000e-03 -4.0974000000e-03 -4.0754000000e-03  1.4467500000e-02  9.2629000000e-03  6.2280000000e-03 -6.2057000000e-03 -6.5892000000e-03  6.2240000000e-04 -1.5286000000e-03 -1.9073000000e-03  9.0240000000e-04
-
-JOB 538
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6108000000e-02 -8.0085000000e-01 -5.1872700000e-01 -1.0445100000e-01 -2.9017100000e-01  9.0615800000e-01 -1.6186510000e+00  1.5392410000e+00 -1.4802920000e+00 -2.2588580000e+00  1.8419010000e+00 -8.3627000000e-01 -1.1302680000e+00  8.5126900000e-01 -1.0281770000e+00
-ENERGY -1.526567351412e+02
-FORCES -3.9289000000e-03  1.7402000000e-03  2.9100000000e-05 -2.8783000000e-03  7.2818000000e-03  1.9390000000e-03  6.8610000000e-04  7.7030000000e-04 -5.0640000000e-03  8.8818000000e-03 -7.2886000000e-03  1.3015500000e-02  1.6550000000e-03 -9.4990000000e-04 -1.4159000000e-03 -4.4157000000e-03 -1.5538000000e-03 -8.5037000000e-03
-
-JOB 539
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7091000000e-02 -9.4837000000e-02 -9.5176800000e-01 -8.4972300000e-01 -3.6646400000e-01  2.4475800000e-01 -1.7701810000e+00  2.4420070000e+00  1.2202270000e+00 -8.7147400000e-01  2.5710880000e+00  9.1708500000e-01 -2.3051000000e+00  2.9454920000e+00  6.0655300000e-01
-ENERGY -1.526568396213e+02
-FORCES -5.1724000000e-03 -2.4711000000e-03 -1.5327000000e-03 -2.9410000000e-04  1.1078000000e-03  3.8144000000e-03  4.5726000000e-03 -1.7680000000e-04 -2.2061000000e-03  3.9117000000e-03  1.5764000000e-03 -4.0548000000e-03 -5.0238000000e-03  2.3816000000e-03  1.9261000000e-03  2.0060000000e-03 -2.4179000000e-03  2.0531000000e-03
-
-JOB 540
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9245300000e-01 -8.4395700000e-01 -4.0857100000e-01 -8.5090400000e-01  3.2241800000e-01  2.9705500000e-01 -2.8204670000e+00 -1.9201410000e+00 -1.5607750000e+00 -3.1225360000e+00 -2.5964200000e+00 -9.5444800000e-01 -3.3080360000e+00 -1.1361390000e+00 -1.3080900000e+00
-ENERGY -1.526560944934e+02
-FORCES -4.8506000000e-03 -3.2058000000e-03 -1.8587000000e-03  2.6242000000e-03  4.0894000000e-03  3.2036000000e-03  2.8953000000e-03 -5.8970000000e-04 -6.4820000000e-04 -5.5822000000e-03 -4.4520000000e-04  1.9343000000e-03  1.8882000000e-03  3.3846000000e-03 -2.3866000000e-03  3.0251000000e-03 -3.2334000000e-03 -2.4440000000e-04
-
-JOB 541
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4006700000e-01 -4.5387800000e-01 -6.7181000000e-02 -6.2784000000e-01 -6.8840800000e-01  2.1941600000e-01 -2.1918260000e+00 -1.5804370000e+00  1.1650060000e+00 -2.2554280000e+00 -1.2559740000e+00  2.0632880000e+00 -3.0891760000e+00 -1.8181890000e+00  9.3161900000e-01
-ENERGY -1.526616694114e+02
-FORCES -4.2622000000e-03 -6.4532000000e-03  1.8637000000e-03 -3.1325000000e-03  9.9160000000e-04  6.5140000000e-04  8.3840000000e-03  5.1817000000e-03 -2.9349000000e-03 -4.0927000000e-03  1.5354000000e-03  2.2990000000e-03 -4.7260000000e-04 -2.2571000000e-03 -4.2196000000e-03  3.5760000000e-03  1.0016000000e-03  2.3404000000e-03
-
-JOB 542
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0669100000e-01  5.5427800000e-01  6.6604000000e-01 -6.5455500000e-01 -5.0892900000e-01  4.7831100000e-01  2.4335150000e+00 -6.2453400000e-01 -1.2506320000e+00  1.6456620000e+00 -4.5045500000e-01 -7.3564000000e-01  2.1051620000e+00 -8.7922500000e-01 -2.1129240000e+00
-ENERGY -1.526602458353e+02
-FORCES -3.1110000000e-04 -1.3262000000e-03  2.7613000000e-03 -3.8530000000e-04 -5.0585000000e-03 -4.5958000000e-03  2.9101000000e-03  3.5856000000e-03 -1.7769000000e-03 -1.3057600000e-02  8.7040000000e-04  1.8162000000e-03  9.5069000000e-03  1.6829000000e-03 -3.3720000000e-04  1.3371000000e-03  2.4580000000e-04  2.1322000000e-03
-
-JOB 543
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3018600000e-01 -2.5308400000e-01  7.5570000000e-01 -5.6142900000e-01 -1.7283800000e-01 -7.5574900000e-01 -1.2625090000e+00 -4.9061700000e-01 -2.2885640000e+00 -1.6290030000e+00  3.0362200000e-01 -2.6772800000e+00 -1.4708290000e+00 -1.1829730000e+00 -2.9158430000e+00
-ENERGY -1.526593576898e+02
-FORCES -7.7316000000e-03 -4.7110000000e-03 -1.1519600000e-02  5.9330000000e-04  2.5990000000e-04 -3.1801000000e-03  2.0235000000e-03  4.9277000000e-03  6.7092000000e-03  3.8813000000e-03 -5.2650000000e-04  4.6110000000e-03  1.5579000000e-03 -4.8338000000e-03  2.0137000000e-03 -3.2440000000e-04  4.8837000000e-03  1.3658000000e-03
-
-JOB 544
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4835600000e-01 -4.8651500000e-01  6.9174600000e-01 -6.9431300000e-01  4.9712800000e-01 -4.3246400000e-01  1.9375830000e+00 -8.0950000000e-01 -1.7396580000e+00  2.4980950000e+00 -3.3839000000e-02 -1.7598770000e+00  1.2537310000e+00 -5.9494800000e-01 -1.1051930000e+00
-ENERGY -1.526610178869e+02
-FORCES  2.3390000000e-04 -2.3210000000e-03 -2.6708000000e-03  9.7700000000e-04  3.3143000000e-03 -3.7757000000e-03  3.3106000000e-03 -2.7752000000e-03  2.9632000000e-03 -8.5584000000e-03  5.6496000000e-03  1.0348700000e-02 -2.1319000000e-03 -1.6382000000e-03 -1.1300000000e-05  6.1688000000e-03 -2.2296000000e-03 -6.8541000000e-03
-
-JOB 545
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2625900000e-01  6.8302200000e-01  5.8589100000e-01 -6.8044000000e-01  4.3177700000e-01 -5.1652800000e-01 -9.5781000000e-01 -2.2189670000e+00  1.0961660000e+00 -4.3671500000e-01 -1.5656360000e+00  6.2942200000e-01 -3.3352900000e-01 -2.9096790000e+00  1.3184770000e+00
-ENERGY -1.526600848580e+02
-FORCES -5.6761000000e-03 -3.3209000000e-03  5.1552000000e-03 -1.8246000000e-03 -2.4217000000e-03 -3.7104000000e-03  3.9890000000e-03 -1.0035000000e-03  3.0612000000e-03  6.6600000000e-03  1.2139800000e-02 -6.5808000000e-03 -2.8520000000e-03 -9.2824000000e-03  3.2255000000e-03 -2.9640000000e-04  3.8888000000e-03 -1.1507000000e-03
-
-JOB 546
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9640400000e-01  4.5009700000e-01 -6.8354000000e-01  8.0423800000e-01  5.1142300000e-01  8.8772000000e-02 -2.0074220000e+00 -1.2479760000e+00  1.4937910000e+00 -1.1430220000e+00 -9.2148100000e-01  1.2439020000e+00 -2.2805370000e+00 -6.7817800000e-01  2.2127980000e+00
-ENERGY -1.526607154256e+02
-FORCES -2.5787000000e-03  1.9304000000e-03 -2.0712000000e-03  4.0976000000e-03 -9.5360000000e-04  3.0747000000e-03 -4.4125000000e-03 -1.6365000000e-03 -6.9250000000e-04  8.3831000000e-03  6.1479000000e-03 -2.9739000000e-03 -6.7092000000e-03 -4.2657000000e-03  5.1609000000e-03  1.2197000000e-03 -1.2225000000e-03 -2.4980000000e-03
-
-JOB 547
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8843200000e-01  5.3891000000e-01 -6.4681000000e-02 -7.0363400000e-01  5.6481100000e-01 -3.1956200000e-01  2.0771060000e+00  1.3380150000e+00 -6.4376000000e-01  2.0044350000e+00  1.8402080000e+00 -1.4553960000e+00  2.7351970000e+00  6.6930100000e-01 -8.3341700000e-01
-ENERGY -1.526556896188e+02
-FORCES  1.8188800000e-02  1.5352300000e-02 -6.4503000000e-03 -3.8988000000e-03 -6.1244000000e-03  2.9736000000e-03  2.5792000000e-03 -5.9590000000e-04 -1.4190000000e-04 -1.3567800000e-02 -9.5500000000e-03 -9.6260000000e-04  1.1895000000e-03 -2.9050000000e-03  3.8265000000e-03 -4.4909000000e-03  3.8229000000e-03  7.5470000000e-04
-
-JOB 548
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5632500000e-01 -2.7821300000e-01 -8.4371900000e-01 -9.0974500000e-01 -2.9732400000e-01 -1.3903000000e-02 -2.5096970000e+00 -6.8459600000e-01 -1.1381000000e+00 -2.2745490000e+00 -1.5344510000e+00 -1.5105010000e+00 -3.3263580000e+00 -8.4713100000e-01 -6.6599900000e-01
-ENERGY -1.526584253229e+02
-FORCES -1.0622400000e-02 -2.1371000000e-03 -7.7192000000e-03 -8.3600000000e-05 -1.2140000000e-04  2.4847000000e-03  7.1394000000e-03 -3.5760000000e-04  5.2404000000e-03 -1.7998000000e-03 -2.7930000000e-03 -1.1631000000e-03  2.1940000000e-04  4.8840000000e-03  2.9223000000e-03  5.1471000000e-03  5.2500000000e-04 -1.7650000000e-03
-
-JOB 549
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5600000000e-01  9.4377000000e-01 -3.4551000000e-02  6.5994600000e-01 -1.0925100000e-01  6.8466600000e-01 -1.8276070000e+00 -1.8784130000e+00  5.0890300000e-01 -1.4394070000e+00 -2.4833030000e+00  1.1410740000e+00 -1.1199310000e+00 -1.2716260000e+00  2.9156300000e-01
-ENERGY -1.526583295659e+02
-FORCES -6.2856000000e-03 -1.0266000000e-03  3.3780000000e-03  2.8102000000e-03 -4.3759000000e-03  8.4720000000e-04 -4.9323000000e-03 -5.2310000000e-04 -3.0187000000e-03  1.1270800000e-02  1.1191700000e-02 -3.2345000000e-03  7.5980000000e-04  3.2683000000e-03 -1.7349000000e-03 -3.6229000000e-03 -8.5344000000e-03  3.7629000000e-03
-
-JOB 550
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7089100000e-01 -7.0698800000e-01  4.4120400000e-01  9.1302500000e-01 -1.2029000000e-01  2.6104900000e-01 -1.3073600000e+00 -1.5776750000e+00 -2.1483490000e+00 -1.0114900000e+00 -1.0043290000e+00 -1.4412650000e+00 -8.2322400000e-01 -1.2788430000e+00 -2.9181180000e+00
-ENERGY -1.526584405275e+02
-FORCES  4.2961000000e-03 -3.2310000000e-03  3.7110000000e-03  1.1898000000e-03  3.1315000000e-03 -7.3703000000e-03 -4.5196000000e-03  8.3770000000e-04 -4.8890000000e-04  6.5755000000e-03  7.9488000000e-03  1.9153000000e-03 -5.8432000000e-03 -7.0124000000e-03  4.5410000000e-04 -1.6984000000e-03 -1.6746000000e-03  1.7788000000e-03
-
-JOB 551
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0741100000e-01 -4.5865400000e-01  2.3228400000e-01 -4.3609000000e-01 -5.8202400000e-01 -6.2233900000e-01 -1.4856460000e+00 -1.9686350000e+00 -1.6325020000e+00 -1.2350410000e+00 -2.8638560000e+00 -1.8605560000e+00 -1.8435180000e+00 -2.0376880000e+00 -7.4740800000e-01
-ENERGY -1.526593637939e+02
-FORCES  3.2100000000e-04 -6.3339000000e-03 -6.8315000000e-03 -2.8977000000e-03  1.1374000000e-03 -4.3840000000e-04  1.5920000000e-04  4.0867000000e-03  9.1063000000e-03 -1.4152000000e-03 -5.5379000000e-03  1.0863000000e-03 -1.6556000000e-03  4.0615000000e-03  1.7527000000e-03  5.4884000000e-03  2.5861000000e-03 -4.6755000000e-03
-
-JOB 552
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4490300000e-01  2.3357200000e-01 -3.8446800000e-01  6.4693600000e-01  3.3242000000e-01 -6.2225600000e-01  1.2744000000e+00 -2.5918080000e+00  1.7239310000e+00  1.0114590000e+00 -1.7817460000e+00  2.1608460000e+00  7.3980800000e-01 -2.6209460000e+00  9.3046200000e-01
-ENERGY -1.526582659908e+02
-FORCES -4.5960000000e-04  3.9850000000e-03 -4.7470000000e-03  3.8445000000e-03 -1.3316000000e-03  1.5421000000e-03 -3.3732000000e-03 -1.4030000000e-03  2.4841000000e-03 -4.6472000000e-03  6.0578000000e-03 -3.0100000000e-03  2.0359000000e-03 -4.2313000000e-03  7.3060000000e-04  2.5996000000e-03 -3.0769000000e-03  3.0002000000e-03
-
-JOB 553
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1657600000e-01 -1.2220300000e-01  9.2433400000e-01 -4.0139600000e-01 -8.2792200000e-01 -2.6392800000e-01 -8.0912000000e-01 -2.2146220000e+00 -1.6418380000e+00 -8.1494900000e-01 -1.9103220000e+00 -2.5493620000e+00 -1.5528200000e-01 -2.9135600000e+00 -1.6272730000e+00
-ENERGY -1.526609797221e+02
-FORCES -3.3931000000e-03 -7.7064000000e-03 -2.9909000000e-03 -7.2600000000e-04 -1.1942000000e-03 -3.5192000000e-03  3.3844000000e-03  7.3479000000e-03  7.2390000000e-03  3.6216000000e-03  9.4060000000e-04 -4.7882000000e-03  1.5510000000e-04 -2.8731000000e-03  3.8391000000e-03 -3.0420000000e-03  3.4852000000e-03  2.2030000000e-04
-
-JOB 554
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0623000000e-01  2.6374900000e-01  8.6769300000e-01  1.7856700000e-01  7.5704400000e-01 -5.5788000000e-01 -2.3673060000e+00 -1.2733360000e+00  3.3577100000e-01 -1.6013170000e+00 -7.9438500000e-01  1.9385000000e-02 -3.0167060000e+00 -1.1742670000e+00 -3.6043000000e-01
-ENERGY -1.526604660934e+02
-FORCES -3.1131000000e-03  6.5020000000e-04  3.7228000000e-03 -7.3530000000e-04 -1.8250000000e-04 -5.3452000000e-03 -1.2859000000e-03 -3.5334000000e-03  3.2226000000e-03  1.1429800000e-02  6.5009000000e-03 -3.5567000000e-03 -9.6400000000e-03 -4.4358000000e-03  7.5450000000e-04  3.3445000000e-03  1.0006000000e-03  1.2021000000e-03
-
-JOB 555
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6320700000e-01 -4.0930200000e-01 -8.2427300000e-01 -8.2407700000e-01  1.7982200000e-01  4.5254000000e-01 -7.0344600000e-01 -3.6469680000e+00 -1.9448600000e-01 -6.8236200000e-01 -3.4181660000e+00  7.3472700000e-01 -1.5120110000e+00 -4.1483050000e+00 -2.9991000000e-01
-ENERGY -1.526556165590e+02
-FORCES -4.3133000000e-03 -2.0631000000e-03 -2.7467000000e-03  9.9710000000e-04  3.6821000000e-03  3.3012000000e-03  3.2647000000e-03 -8.4040000000e-04 -1.1983000000e-03 -2.0893000000e-03 -1.8046000000e-03  4.3260000000e-03 -1.0831000000e-03 -1.5849000000e-03 -4.0301000000e-03  3.2239000000e-03  2.6109000000e-03  3.4790000000e-04
-
-JOB 556
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1043700000e-01 -9.4997300000e-01 -3.9842000000e-02 -3.8687900000e-01  2.5161800000e-01  8.3859700000e-01 -8.9867500000e-01  1.3449040000e+00  2.1866340000e+00 -1.3596520000e+00  2.0903930000e+00  1.8019560000e+00 -1.4868380000e+00  1.0263910000e+00  2.8713560000e+00
-ENERGY -1.526604388232e+02
-FORCES -4.0385000000e-03  4.5791000000e-03  1.1588600000e-02 -6.0680000000e-04  3.1708000000e-03  2.0088000000e-03  2.0996000000e-03 -5.7920000000e-03 -9.1787000000e-03 -1.7774000000e-03  1.2642000000e-03 -3.0347000000e-03  1.7090000000e-03 -4.5241000000e-03  2.9017000000e-03  2.6141000000e-03  1.3021000000e-03 -4.2857000000e-03
-
-JOB 557
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6968200000e-01  9.1629200000e-01 -6.2550000000e-02  6.0186800000e-01 -3.8433100000e-01  6.3739800000e-01  2.2378100000e-01 -2.2132590000e+00 -2.0510620000e+00  3.3802300000e-01 -1.2698020000e+00 -1.9367350000e+00 -4.0612500000e-01 -2.4624190000e+00 -1.3747700000e+00
-ENERGY -1.526591188011e+02
-FORCES  3.3085000000e-03  1.8081000000e-03  4.1113000000e-03 -6.2510000000e-04 -4.7336000000e-03 -4.5350000000e-04 -3.1919000000e-03  1.9608000000e-03 -3.1050000000e-03 -3.7678000000e-03  7.1737000000e-03  6.7935000000e-03  1.9393000000e-03 -4.3721000000e-03 -5.0369000000e-03  2.3370000000e-03 -1.8369000000e-03 -2.3093000000e-03
-
-JOB 558
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2754300000e-01 -8.4901100000e-01  1.1233200000e-01 -5.5775000000e-01 -1.1215200000e-01 -7.6978500000e-01  3.2852400000e+00  6.3039900000e-01 -4.9645900000e-01  3.0515140000e+00  7.1217500000e-01  4.2815800000e-01  2.4741470000e+00  8.2276200000e-01 -9.6694500000e-01
-ENERGY -1.526578493223e+02
-FORCES -2.4385000000e-03 -5.3702000000e-03 -1.7910000000e-03 -1.8068000000e-03  4.5444000000e-03 -4.6590000000e-04  3.1462000000e-03  7.0890000000e-04  3.0363000000e-03 -6.7582000000e-03  2.4779000000e-03  2.5530000000e-03  2.4336000000e-03 -1.2659000000e-03 -2.9807000000e-03  5.4237000000e-03 -1.0951000000e-03 -3.5180000000e-04
-
-JOB 559
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4238300000e-01 -5.6189700000e-01  2.2219600000e-01 -6.4505700000e-01 -5.9474400000e-01 -3.8264000000e-01  1.5898570000e+00 -2.0817660000e+00  1.0767760000e+00  2.3719690000e+00 -1.5653700000e+00  1.2713770000e+00  9.9303600000e-01 -1.8958640000e+00  1.8016730000e+00
-ENERGY -1.526587724257e+02
-FORCES  5.6761000000e-03 -1.2242600000e-02  1.8270000000e-04 -2.8287000000e-03  8.5998000000e-03  1.4261000000e-03  1.1121000000e-03  2.2838000000e-03  1.8366000000e-03 -6.4670000000e-04  1.4404000000e-03  5.3168000000e-03 -6.3232000000e-03 -4.7540000000e-04 -2.8955000000e-03  3.0103000000e-03  3.9400000000e-04 -5.8667000000e-03
-
-JOB 560
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0181600000e-01  8.0746000000e-02 -6.4588400000e-01  8.0587200000e-01  8.7582000000e-02 -5.0904900000e-01 -7.7718900000e-01  2.2370760000e+00  1.3449870000e+00 -4.3800000000e-01  1.4458680000e+00  9.2644900000e-01 -1.1617200000e-01  2.4649790000e+00  1.9987060000e+00
-ENERGY -1.526604136769e+02
-FORCES -7.5480000000e-04  3.6689000000e-03 -2.6546000000e-03  4.6231000000e-03  1.3198000000e-03  4.5956000000e-03 -4.5534000000e-03  1.7300000000e-05  2.6979000000e-03  6.6438000000e-03 -1.3081100000e-02 -4.7131000000e-03 -5.0347000000e-03  9.4358000000e-03  2.6308000000e-03 -9.2390000000e-04 -1.3607000000e-03 -2.5566000000e-03
-
-JOB 561
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8778200000e-01 -5.7738300000e-01 -3.3138600000e-01  7.7652300000e-01 -2.3582300000e-01 -5.0757400000e-01  7.6727100000e-01  2.4005100000e-01  2.3873090000e+00  1.5096610000e+00 -3.6250000000e-01  2.4322620000e+00  4.2644200000e-01  1.3509300000e-01  1.4990240000e+00
-ENERGY -1.526545305748e+02
-FORCES  5.2207000000e-03 -6.4580000000e-04  1.6607000000e-02  5.2130000000e-03  2.6781000000e-03  7.2360000000e-04 -4.5809000000e-03 -2.6860000000e-04  4.1841000000e-03 -8.5972000000e-03 -3.8099000000e-03 -2.4347300000e-02 -1.9294000000e-03  1.3296000000e-03 -2.6699000000e-03  4.6738000000e-03  7.1660000000e-04  5.5026000000e-03
-
-JOB 562
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3649200000e-01  6.4249100000e-01  6.2466800000e-01 -4.7355800000e-01 -8.0591900000e-01  2.0608100000e-01 -1.4749750000e+00 -1.3229950000e+00  2.0167780000e+00 -1.5932600000e+00 -2.1300290000e+00  1.5158420000e+00 -7.1516600000e-01 -1.4949530000e+00  2.5729720000e+00
-ENERGY -1.526553183951e+02
-FORCES -9.6277000000e-03 -2.8277000000e-03  1.1115900000e-02  3.3968000000e-03  9.0680000000e-04 -2.6992000000e-03  2.6956000000e-03 -3.4321000000e-03 -4.6841000000e-03  4.3456000000e-03 -2.0870000000e-03  3.5350000000e-04  3.0498000000e-03  6.3126000000e-03 -6.9160000000e-04 -3.8602000000e-03  1.1273000000e-03 -3.3945000000e-03
-
-JOB 563
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7193000000e-01 -1.5281400000e-01  9.2915000000e-01 -8.6801500000e-01  3.7015000000e-02 -4.0176100000e-01 -6.3214800000e-01 -2.7364600000e-01  2.7559340000e+00 -2.5713500000e-01  4.7005300000e-01  3.2276430000e+00 -1.5787170000e+00 -1.5181900000e-01  2.8294060000e+00
-ENERGY -1.526606738889e+02
-FORCES -4.7064000000e-03 -2.1777000000e-03  1.1260700000e-02  1.9412000000e-03  2.2065000000e-03 -1.0573700000e-02  2.0221000000e-03  4.4000000000e-06  2.0109000000e-03 -1.6828000000e-03  3.8209000000e-03  1.6398000000e-03 -2.6495000000e-03 -3.8309000000e-03 -2.8157000000e-03  5.0755000000e-03 -2.3200000000e-05 -1.5220000000e-03
-
-JOB 564
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9098400000e-01  5.1427300000e-01 -1.6155400000e-01 -2.1418700000e-01 -5.3631100000e-01  7.6336500000e-01 -2.6018330000e+00  1.4652850000e+00 -5.7906700000e-01 -2.8777520000e+00  1.6663080000e+00  3.1518800000e-01 -3.3973460000e+00  1.1550280000e+00 -1.0116550000e+00
-ENERGY -1.526601769326e+02
-FORCES -7.8348000000e-03  2.1267000000e-03 -5.9780000000e-04  8.3312000000e-03 -3.7969000000e-03  4.5848000000e-03  2.4920000000e-04  2.1098000000e-03 -2.2133000000e-03 -6.2023000000e-03 -4.3900000000e-05 -5.5680000000e-04  2.5310000000e-03 -2.6003000000e-03 -4.1535000000e-03  2.9257000000e-03  2.2047000000e-03  2.9365000000e-03
-
-JOB 565
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7060800000e-01  9.8785000000e-02 -3.8537700000e-01  5.2850000000e-02  6.9592700000e-01  6.5507600000e-01 -2.6433900000e-01  2.0423040000e+00  1.7994120000e+00  3.5783600000e-01  2.7510860000e+00  1.6358310000e+00 -4.0092000000e-02  1.7230920000e+00  2.6735100000e+00
-ENERGY -1.526606164075e+02
-FORCES -4.8494000000e-03  1.2562500000e-02  9.3228000000e-03  2.2816000000e-03 -5.2860000000e-04  5.9090000000e-04  3.7328000000e-03 -7.5492000000e-03 -5.1679000000e-03  1.9566000000e-03 -9.4450000000e-04  1.2220000000e-04 -2.8887000000e-03 -4.9808000000e-03  9.1370000000e-04 -2.3280000000e-04  1.4407000000e-03 -5.7817000000e-03
-
-JOB 566
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9609000000e-01  1.1672200000e-01  9.0273900000e-01 -9.0271300000e-01 -3.0775600000e-01  8.1408000000e-02 -1.4099970000e+00 -3.4032420000e+00  1.2618510000e+00 -1.7223170000e+00 -2.7329680000e+00  6.5405100000e-01 -2.2009950000e+00 -3.8699110000e+00  1.5316180000e+00
-ENERGY -1.526531828539e+02
-FORCES -1.4779000000e-03 -6.3600000000e-04  5.0005000000e-03 -1.3444000000e-03  2.4450000000e-04 -4.1682000000e-03  2.8388000000e-03 -2.4990000000e-04 -8.9560000000e-04 -4.4492000000e-03 -4.8130000000e-04 -1.9896000000e-03  9.1800000000e-04 -1.0532000000e-03  3.1852000000e-03  3.5147000000e-03  2.1758000000e-03 -1.1323000000e-03
-
-JOB 567
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6828600000e-01 -3.0293200000e-01 -2.6560200000e-01 -1.1366400000e-01  2.9074300000e-01  9.0486500000e-01  6.7804000000e-02  7.7257000000e-01  2.7691760000e+00  7.0062500000e-01  1.4747990000e+00  2.6186990000e+00 -4.6454600000e-01  1.0822020000e+00  3.5019540000e+00
-ENERGY -1.526608143289e+02
-FORCES -3.7035000000e-03  5.1390000000e-04  9.3656000000e-03  2.3807000000e-03  1.0121000000e-03  1.1175000000e-03  2.5433000000e-03  2.1010000000e-04 -9.7219000000e-03 -2.7900000000e-05  3.0024000000e-03  2.4832000000e-03 -4.5924000000e-03 -3.9474000000e-03 -2.9130000000e-04  3.3998000000e-03 -7.9110000000e-04 -2.9531000000e-03
-
-JOB 568
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6555200000e-01 -2.8738900000e-01 -2.9061900000e-01 -1.6785000000e-01  7.9806700000e-01  5.0114600000e-01  1.5648840000e+00 -2.1418550000e+00 -1.0330920000e+00  1.2282580000e+00 -1.4574430000e+00 -4.5473700000e-01  2.0749590000e+00 -2.7124250000e+00 -4.5819600000e-01
-ENERGY -1.526612052760e+02
-FORCES -2.6831000000e-03  1.2964000000e-03 -5.5130000000e-04  4.0420000000e-03  2.1787000000e-03  2.4124000000e-03 -7.8850000000e-04 -3.5260000000e-03 -2.5082000000e-03 -2.1799000000e-03  5.9545000000e-03  5.4410000000e-03  3.5220000000e-03 -8.4542000000e-03 -3.6100000000e-03 -1.9125000000e-03  2.5506000000e-03 -1.1839000000e-03
-
-JOB 569
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3078500000e-01 -7.7732400000e-01  3.5556100000e-01  2.6198400000e-01  7.0922500000e-01  5.8702300000e-01  5.0394400000e-01 -1.8568600000e-01 -2.7539730000e+00  1.2122780000e+00 -8.2834500000e-01 -2.7154550000e+00  3.0359700000e-01  5.8510000000e-03 -1.8377810000e+00
-ENERGY -1.526601588348e+02
-FORCES  2.5626000000e-03 -3.4000000000e-04  1.2931000000e-03 -1.1808000000e-03  4.5130000000e-03 -2.5272000000e-03 -8.6940000000e-04 -4.4095000000e-03 -2.5177000000e-03 -8.1350000000e-04  1.7430000000e-04  1.2796300000e-02 -2.0902000000e-03  1.4323000000e-03  7.0070000000e-04  2.3913000000e-03 -1.3700000000e-03 -9.7453000000e-03
-
-JOB 570
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0469900000e-01  3.6194000000e-02  9.5076800000e-01  7.2117700000e-01  5.2890900000e-01 -3.4116200000e-01 -2.8497060000e+00  4.9454300000e-01 -1.4666600000e-01 -2.8402130000e+00 -4.0269200000e-01  1.8666700000e-01 -1.9318170000e+00  6.9044500000e-01 -3.3464200000e-01
-ENERGY -1.526598090475e+02
-FORCES  3.0367000000e-03  9.1060000000e-04  3.2534000000e-03 -8.1730000000e-04 -1.8480000000e-04 -5.1075000000e-03 -4.3052000000e-03 -1.8929000000e-03  2.0130000000e-03  1.1137000000e-02 -5.1340000000e-03 -3.6160000000e-04 -1.6129000000e-03  2.5976000000e-03  3.4110000000e-04 -7.4382000000e-03  3.7035000000e-03 -1.3850000000e-04
-
-JOB 571
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3297500000e-01 -8.7573200000e-01  1.9609600000e-01 -5.4453900000e-01  3.0704600000e-01 -7.2486600000e-01  1.3329570000e+00 -2.6975980000e+00  2.6441940000e+00  1.4752410000e+00 -3.6441260000e+00  2.6356180000e+00  5.4837700000e-01 -2.5680160000e+00  2.1113970000e+00
-ENERGY -1.526519887260e+02
-FORCES -3.5893000000e-03 -1.7795000000e-03 -2.7513000000e-03  1.4739000000e-03  2.5297000000e-03  4.1990000000e-04  2.4838000000e-03 -1.2554000000e-03  3.1463000000e-03 -2.1849000000e-03 -3.2641000000e-03 -1.9432000000e-03 -6.2980000000e-04  4.1227000000e-03  4.4700000000e-05  2.4463000000e-03 -3.5340000000e-04  1.0837000000e-03
-
-JOB 572
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4451700000e-01 -4.0627800000e-01  4.4369400000e-01 -1.7788700000e-01  7.9252400000e-01  5.0645200000e-01 -1.1153490000e+00 -2.1556540000e+00  3.0463340000e+00 -4.9387100000e-01 -2.0735110000e+00  2.3229750000e+00 -1.7946150000e+00 -1.5093410000e+00  2.8537010000e+00
-ENERGY -1.526549527144e+02
-FORCES  3.5665000000e-03  3.5169000000e-03  2.2679000000e-03 -4.5166000000e-03  5.0490000000e-04 -9.9260000000e-04  3.3060000000e-04 -4.0276000000e-03 -1.9568000000e-03 -1.3449000000e-03  2.7431000000e-03 -5.2271000000e-03 -7.6380000000e-04 -3.7200000000e-04  4.0314000000e-03  2.7283000000e-03 -2.3654000000e-03  1.8771000000e-03
-
-JOB 573
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8220600000e-01  6.6706000000e-02  8.2417200000e-01  7.6152900000e-01  5.6717000000e-01  1.2092700000e-01 -1.1889240000e+00  1.7381600000e-01  2.3801110000e+00 -2.0983660000e+00  4.6438500000e-01  2.3114320000e+00 -1.2499290000e+00 -7.5321400000e-01  2.6106000000e+00
-ENERGY -1.526599187421e+02
-FORCES -6.2594000000e-03  3.8753000000e-03  1.7278300000e-02  2.7961000000e-03 -3.5640000000e-03 -9.1194000000e-03 -2.1363000000e-03 -1.3944000000e-03  1.7340000000e-04  1.3490000000e-04 -1.9982000000e-03 -4.6090000000e-03  5.3294000000e-03 -2.5811000000e-03 -4.4300000000e-04  1.3540000000e-04  5.6623000000e-03 -3.2804000000e-03
-
-JOB 574
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0787200000e-01 -9.0531000000e-01 -4.3122000000e-02  6.5863600000e-01  5.0065900000e-01 -4.8142600000e-01 -2.5043260000e+00  8.6800500000e-01 -7.9247000000e-01 -2.4535800000e+00  1.8232470000e+00 -8.2664800000e-01 -1.5943840000e+00  5.8206500000e-01 -7.1199200000e-01
-ENERGY -1.526593430001e+02
-FORCES  3.2770000000e-04 -2.4115000000e-03 -8.7230000000e-04 -5.6260000000e-04  5.2208000000e-03 -5.7100000000e-05 -5.5081000000e-03 -2.1997000000e-03  1.5364000000e-03  1.1818400000e-02 -2.6550000000e-03  4.9728000000e-03  1.3115000000e-03 -2.9747000000e-03 -5.4400000000e-05 -7.3869000000e-03  5.0202000000e-03 -5.5255000000e-03
-
-JOB 575
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5323000000e-02 -2.9015500000e-01 -9.1048400000e-01  2.7508000000e-02  9.5529100000e-01 -5.3805000000e-02 -2.2500770000e+00 -5.1208800000e-01  9.2544000000e-01 -3.0102210000e+00 -2.1053300000e-01  4.2796800000e-01 -1.5045270000e+00 -7.7185000000e-02  5.1162200000e-01
-ENERGY -1.526507120260e+02
-FORCES -1.3838800000e-02 -5.5862000000e-03  3.1481000000e-03 -1.8795000000e-03  3.2498000000e-03  5.7700000000e-03 -6.4990000000e-03 -7.1941000000e-03  1.1961000000e-03  2.4840700000e-02  4.8077000000e-03 -8.8905000000e-03  6.0116000000e-03  4.4910000000e-04 -1.0918000000e-03 -8.6350000000e-03  4.2737000000e-03 -1.3200000000e-04
-
-JOB 576
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6880500000e-01 -3.0855300000e-01  2.5730400000e-01  5.9012300000e-01 -3.6928400000e-01  6.5697500000e-01  1.7275100000e+00 -3.1252340000e+00 -1.7905200000e-01  1.6038270000e+00 -2.8059160000e+00 -1.0729040000e+00  8.3972200000e-01 -3.2353820000e+00  1.6143700000e-01
-ENERGY -1.526559494624e+02
-FORCES -3.3800000000e-05 -1.7235000000e-03  4.5810000000e-03  3.8128000000e-03  3.1330000000e-04 -1.3914000000e-03 -4.1009000000e-03  2.0543000000e-03 -2.7453000000e-03 -4.4019000000e-03  8.8680000000e-04 -4.1855000000e-03  1.1161000000e-03 -2.4793000000e-03  3.8748000000e-03  3.6077000000e-03  9.4830000000e-04 -1.3360000000e-04
-
-JOB 577
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0376600000e-01 -2.3648000000e-02 -6.4837200000e-01 -3.6189100000e-01 -8.8613100000e-01 -6.1940000000e-03  9.7170900000e-01  1.2065350000e+00  2.2546560000e+00  5.3558300000e-01  6.2561600000e-01  1.6313110000e+00  8.9838600000e-01  7.5486900000e-01  3.0954020000e+00
-ENERGY -1.526603047925e+02
-FORCES  3.9817000000e-03  7.9900000000e-05 -8.1070000000e-04 -4.3731000000e-03 -1.1707000000e-03  2.9425000000e-03  2.7383000000e-03  4.4799000000e-03  1.0611000000e-03 -5.4732000000e-03 -6.3230000000e-03 -9.3492000000e-03  3.8625000000e-03  3.0696000000e-03  1.0015400000e-02 -7.3630000000e-04 -1.3560000000e-04 -3.8592000000e-03
-
-JOB 578
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7622100000e-01  1.3295000000e-01 -8.7006600000e-01 -2.3363600000e-01  7.9091500000e-01  4.8590100000e-01 -1.3026790000e+00  6.0512300000e-01 -2.3277990000e+00 -1.5434350000e+00 -2.2542700000e-01 -2.7382310000e+00 -2.1369180000e+00  1.0507600000e+00 -2.1805400000e+00
-ENERGY -1.526596109087e+02
-FORCES -7.6212000000e-03  6.8728000000e-03 -1.2678800000e-02  4.4555000000e-03 -5.1823000000e-03  7.0914000000e-03 -1.9500000000e-05 -1.9965000000e-03 -1.1656000000e-03 -2.5209000000e-03 -1.5538000000e-03  3.9849000000e-03  1.5195000000e-03  4.4509000000e-03  3.7006000000e-03  4.1865000000e-03 -2.5911000000e-03 -9.3240000000e-04
-
-JOB 579
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8006500000e-01 -8.1544000000e-01 -3.2686400000e-01 -7.1130600000e-01  6.3763000000e-01 -6.0853000000e-02  1.7117290000e+00  1.8568900000e+00 -9.1439600000e-01  1.0677490000e+00  2.4013990000e+00 -1.3672000000e+00  1.2565100000e+00  1.0303640000e+00 -7.5358100000e-01
-ENERGY -1.526577381456e+02
-FORCES -4.3610000000e-04  3.7319000000e-03 -1.5449000000e-03  1.4524000000e-03  5.2068000000e-03  1.3379000000e-03  4.7317000000e-03 -3.1764000000e-03 -2.0632000000e-03 -9.7934000000e-03 -1.1250400000e-02  3.3999000000e-03  3.7210000000e-04 -2.1577000000e-03  2.3528000000e-03  3.6732000000e-03  7.6458000000e-03 -3.4826000000e-03
-
-JOB 580
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0201000000e-02  1.5153800000e-01 -9.4464600000e-01 -9.3357600000e-01 -1.6253000000e-02  2.1072200000e-01  2.3572570000e+00 -1.0724330000e+00  1.2063490000e+00  2.7832320000e+00 -1.9081060000e+00  1.0154920000e+00  1.4431870000e+00 -1.2062470000e+00  9.5574300000e-01
-ENERGY -1.526586129360e+02
-FORCES -1.1832000000e-03  2.7131000000e-03 -3.8836000000e-03 -1.3773000000e-03 -8.9280000000e-04  4.3410000000e-03  4.8212000000e-03 -5.8000000000e-04 -9.7770000000e-04 -6.8153000000e-03  3.2840000000e-04 -3.3803000000e-03 -2.4009000000e-03  3.1260000000e-03 -2.9930000000e-04  6.9556000000e-03 -4.6947000000e-03  4.1998000000e-03
-
-JOB 581
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3285200000e-01  9.0760000000e-01  1.9563600000e-01  7.1827900000e-01 -5.1623200000e-01  3.6580300000e-01 -2.3131300000e-01  5.3993700000e-01 -2.6375270000e+00 -4.4320200000e-01 -2.4506300000e-01 -3.1426110000e+00 -1.5589100000e-01  2.3125500000e-01 -1.7346090000e+00
-ENERGY -1.526604342689e+02
-FORCES  3.2309000000e-03  2.4081000000e-03 -2.7413000000e-03 -7.1920000000e-04 -5.9681000000e-03 -2.7871000000e-03 -3.5666000000e-03  3.1926000000e-03 -1.7475000000e-03  4.0100000000e-05 -6.3694000000e-03  1.4033500000e-02  1.0772000000e-03  1.3757000000e-03  2.5396000000e-03 -6.2400000000e-05  5.3611000000e-03 -9.2971000000e-03
-
-JOB 582
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7427600000e-01 -7.6550100000e-01 -2.1158000000e-02  6.0285000000e-01 -1.3194600000e-01 -7.3170600000e-01 -1.1607430000e+00 -2.0207300000e+00 -1.1229930000e+00 -4.9323300000e-01 -2.6691080000e+00 -1.3471960000e+00 -1.3595700000e+00 -1.5846240000e+00 -1.9515530000e+00
-ENERGY -1.526544879659e+02
-FORCES -8.2449000000e-03 -1.8611000000e-02 -1.0826000000e-02  1.2587000000e-03  4.6364000000e-03  4.2659000000e-03 -4.6690000000e-04  9.3790000000e-04  4.2360000000e-04  7.1114000000e-03  1.0606900000e-02  1.6802000000e-03 -2.3307000000e-03  5.1113000000e-03  5.2710000000e-04  2.6724000000e-03 -2.6814000000e-03  3.9291000000e-03
-
-JOB 583
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4229900000e-01 -1.4198300000e-01  9.1507600000e-01  6.5103600000e-01 -4.9249300000e-01 -4.9983500000e-01  1.2193050000e+00 -5.8322900000e-01 -2.4558900000e+00  7.6095400000e-01 -2.6742100000e-01 -3.2346150000e+00  1.8853160000e+00 -1.1810750000e+00 -2.7953620000e+00
-ENERGY -1.526590906015e+02
-FORCES  4.8189000000e-03 -2.4321000000e-03 -5.6003000000e-03  4.1960000000e-04 -2.9990000000e-04 -4.0784000000e-03 -2.6771000000e-03  5.5440000000e-04  9.0199000000e-03 -2.9920000000e-03  1.8784000000e-03 -3.5095000000e-03  3.6026000000e-03 -2.3512000000e-03  1.9383000000e-03 -3.1720000000e-03  2.6505000000e-03  2.2300000000e-03
-
-JOB 584
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6214300000e-01  1.7235000000e-01 -7.5533000000e-01  2.2459100000e-01  8.6806200000e-01  3.3505100000e-01  4.8767000000e-02  2.3758530000e+00  1.3949300000e+00  1.0585600000e-01  2.4927190000e+00  2.3432520000e+00 -8.0358900000e-01  2.7419270000e+00  1.1588960000e+00
-ENERGY -1.526590969208e+02
-FORCES  4.7020000000e-04  1.1472700000e-02  5.3182000000e-03  1.0686000000e-03  8.9370000000e-04  3.1382000000e-03 -1.1264000000e-03 -6.6889000000e-03 -6.8969000000e-03 -3.3188000000e-03 -4.3919000000e-03  2.2948000000e-03 -1.4226000000e-03  9.0940000000e-04 -4.4290000000e-03  4.3290000000e-03 -2.1949000000e-03  5.7470000000e-04
-
-JOB 585
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4810900000e-01  7.7793700000e-01  1.0306500000e-01  8.5946600000e-01  2.6708600000e-01  3.2590600000e-01  6.1582000000e-01  1.1562900000e-01 -2.9583570000e+00  5.2182000000e-01 -3.3670600000e-01 -2.1200320000e+00 -2.1220500000e-01 -4.3903000000e-02 -3.4112990000e+00
-ENERGY -1.526598324386e+02
-FORCES  5.6650000000e-04  6.8567000000e-03  1.7549000000e-03  2.2788000000e-03 -3.7313000000e-03  4.6230000000e-04 -3.9878000000e-03 -1.6775000000e-03 -2.2495000000e-03 -4.8643000000e-03 -2.8229000000e-03  6.7254000000e-03  3.4665000000e-03  4.0100000000e-04 -8.2630000000e-03  2.5403000000e-03  9.7400000000e-04  1.5698000000e-03
-
-JOB 586
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5349000000e-02 -9.0238100000e-01 -3.1444800000e-01 -8.3323700000e-01  1.5005800000e-01  4.4657700000e-01  1.6900610000e+00  1.9007530000e+00  1.4433000000e+00  1.3934250000e+00  1.8589060000e+00  2.3524140000e+00  1.2308750000e+00  1.1826540000e+00  1.0077370000e+00
-ENERGY -1.526604848471e+02
-FORCES -2.8088000000e-03 -3.2005000000e-03 -9.2700000000e-04 -1.2860000000e-03  4.2752000000e-03  1.5862000000e-03  5.1047000000e-03 -1.0971000000e-03 -1.0958000000e-03 -4.5798000000e-03 -7.0719000000e-03 -2.5994000000e-03 -1.2900000000e-05 -1.4610000000e-04 -3.1685000000e-03  3.5828000000e-03  7.2403000000e-03  6.2045000000e-03
-
-JOB 587
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8001000000e-02 -6.0226500000e-01  7.3988100000e-01  4.8751300000e-01 -4.2346200000e-01 -7.0657100000e-01 -1.7381860000e+00  1.9141230000e+00 -2.7771920000e+00 -1.3383770000e+00  2.7706220000e+00 -2.9281690000e+00 -2.2062080000e+00  2.0105880000e+00 -1.9478050000e+00
-ENERGY -1.526553304711e+02
-FORCES  2.5623000000e-03 -4.4258000000e-03 -1.0073000000e-03 -4.8310000000e-04  2.5703000000e-03 -3.0195000000e-03 -1.3450000000e-03  1.2576000000e-03  3.8658000000e-03  1.8500000000e-05  3.4018000000e-03  4.3062000000e-03 -1.5560000000e-03 -3.3252000000e-03  2.5850000000e-04  8.0330000000e-04  5.2130000000e-04 -4.4036000000e-03
-
-JOB 588
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7059000000e-01 -8.3353300000e-01 -1.8500000000e-04  6.7445000000e-01  6.5640900000e-01 -1.7457400000e-01 -4.6650100000e-01  4.1389900000e-01  2.4854900000e+00  2.5941400000e-01 -1.8741700000e-01  2.6519180000e+00 -6.0899000000e-01  3.6232100000e-01  1.5403610000e+00
-ENERGY -1.526540657706e+02
-FORCES  1.7032000000e-03  1.5902000000e-03  1.5150500000e-02 -1.3147000000e-03  5.0428000000e-03  1.4135000000e-03 -3.2845000000e-03 -4.3541000000e-03  1.8601000000e-03  5.5430000000e-03 -6.1974000000e-03 -2.3752300000e-02 -6.9460000000e-04  8.2300000000e-04 -2.9510000000e-04 -1.9524000000e-03  3.0955000000e-03  5.6234000000e-03
-
-JOB 589
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6280600000e-01  3.7315900000e-01  1.8041700000e-01 -1.6021700000e-01  2.0067900000e-01 -9.2211200000e-01 -9.5178100000e-01  2.9135870000e+00 -1.0611040000e+00 -8.3108100000e-01  1.9680290000e+00 -9.7402600000e-01 -1.7598410000e+00  3.0069180000e+00 -1.5656420000e+00
-ENERGY -1.526532029120e+02
-FORCES  5.8838000000e-03  2.2690000000e-04 -1.6403000000e-03 -4.7282000000e-03 -2.1156000000e-03 -1.1123000000e-03 -2.9395000000e-03  5.1412000000e-03  5.2631000000e-03 -3.6792000000e-03 -3.7884000000e-03  1.2973000000e-03  1.8340000000e-03  1.5466000000e-03 -5.7828000000e-03  3.6292000000e-03 -1.0106000000e-03  1.9751000000e-03
-
-JOB 590
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3687800000e-01  7.3190600000e-01  3.0382000000e-01  1.5591700000e-01 -5.2528800000e-01  7.8485300000e-01  4.8681000000e-02 -9.1095700000e-01 -2.5279240000e+00  2.1126700000e-01 -4.7830600000e-01 -1.6897050000e+00 -8.9055700000e-01 -1.0954870000e+00 -2.5245500000e+00
-ENERGY -1.526592952834e+02
-FORCES -4.7190000000e-04 -2.9840000000e-03 -4.4718000000e-03  2.1656000000e-03 -4.5856000000e-03 -4.9750000000e-04 -1.9467000000e-03  3.8386000000e-03 -2.8297000000e-03 -3.1244000000e-03  4.5930000000e-03  1.5473600000e-02  1.4851000000e-03 -1.2541000000e-03 -6.9627000000e-03  1.8924000000e-03  3.9200000000e-04 -7.1200000000e-04
-
-JOB 591
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1812700000e-01 -9.2053500000e-01  2.3429300000e-01  8.6386000000e-01  2.8443900000e-01 -2.9845000000e-01 -5.9996000000e-02 -2.7483780000e+00 -4.0947000000e-02 -7.9155500000e-01 -3.2516190000e+00 -3.9844000000e-01  6.6151400000e-01 -3.3754870000e+00  7.9360000000e-03
-ENERGY -1.526594670018e+02
-FORCES  1.7816000000e-03 -1.2192800000e-02 -1.2955000000e-03  1.6325000000e-03  8.5546000000e-03  1.7369000000e-03 -2.1446000000e-03 -1.7085000000e-03  1.0282000000e-03 -2.3558000000e-03  2.0030000000e-03 -2.4262000000e-03  4.6064000000e-03  2.4750000000e-04  1.7994000000e-03 -3.5200000000e-03  3.0961000000e-03 -8.4270000000e-04
-
-JOB 592
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6315200000e-01 -4.1944000000e-02 -4.1163200000e-01 -5.9872700000e-01 -3.4527200000e-01 -6.6222800000e-01 -4.7194000000e-02 -1.4181550000e+00 -2.4227690000e+00  3.6228000000e-02 -6.8523300000e-01 -3.0327680000e+00 -6.9110200000e-01 -1.9974360000e+00 -2.8302590000e+00
-ENERGY -1.526573691397e+02
-FORCES  1.9345000000e-03 -8.7010000000e-03 -1.1208100000e-02 -9.4050000000e-04  2.9221000000e-03  2.0947000000e-03 -2.5082000000e-03  4.8089000000e-03  4.2860000000e-03 -3.0620000000e-04  2.2800000000e-04 -2.4748000000e-03 -6.5110000000e-04 -3.1198000000e-03  4.7534000000e-03  2.4716000000e-03  3.8618000000e-03  2.5488000000e-03
-
-JOB 593
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6805500000e-01 -6.2717600000e-01 -4.4743200000e-01 -2.1516900000e-01  8.4414600000e-01 -3.9667500000e-01 -8.2729500000e-01  2.3880650000e+00 -1.4137810000e+00 -1.5551930000e+00  2.6854020000e+00 -8.6789900000e-01 -3.8333600000e-01  3.1928850000e+00 -1.6809840000e+00
-ENERGY -1.526612961347e+02
-FORCES -3.1973000000e-03  6.6886000000e-03 -7.7643000000e-03  1.2751000000e-03  1.8710000000e-03  1.7369000000e-03  4.1650000000e-04 -7.4427000000e-03  6.8309000000e-03  3.1040000000e-04  4.3844000000e-03  4.9700000000e-05  4.5788000000e-03 -2.3609000000e-03 -2.3111000000e-03 -3.3834000000e-03 -3.1405000000e-03  1.4578000000e-03
-
-JOB 594
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5090000000e-01  1.1715100000e-01  9.1627300000e-01 -4.1929700000e-01  8.2589700000e-01 -2.4148800000e-01 -1.5734200000e+00  2.2824020000e+00  1.4171500000e-01 -1.2459560000e+00  3.1738010000e+00  2.6174900000e-01 -2.1227770000e+00  2.1231590000e+00  9.0923100000e-01
-ENERGY -1.526595054179e+02
-FORCES -6.4528000000e-03  1.2335200000e-02  2.7322000000e-03 -7.4210000000e-04 -9.4850000000e-04 -1.8273000000e-03  5.0948000000e-03 -6.7851000000e-03 -1.6999000000e-03  3.1100000000e-05 -1.6312000000e-03  3.5689000000e-03 -1.3908000000e-03 -4.9689000000e-03  3.9710000000e-04  3.4597000000e-03  1.9986000000e-03 -3.1710000000e-03
-
-JOB 595
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1601000000e-01  6.8271700000e-01  4.2879400000e-01 -1.7502500000e-01  3.4557300000e-01 -8.7531500000e-01  1.6796720000e+00  2.0176880000e+00  1.3654020000e+00  9.1944200000e-01  2.4410140000e+00  1.7642460000e+00  2.0658360000e+00  1.5017260000e+00  2.0731410000e+00
-ENERGY -1.526610506931e+02
-FORCES  6.5920000000e-03  7.7072000000e-03  5.4990000000e-04 -8.3491000000e-03 -6.5778000000e-03 -2.1196000000e-03  3.1840000000e-04 -6.6010000000e-04  3.0160000000e-03  1.4036000000e-03  1.3261000000e-03  6.1222000000e-03  3.0876000000e-03 -4.3235000000e-03 -3.6201000000e-03 -3.0525000000e-03  2.5281000000e-03 -3.9485000000e-03
-
-JOB 596
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6612000000e-01 -5.0598000000e-02 -4.0436000000e-01  1.4973400000e-01 -2.2842900000e-01  9.1740500000e-01  2.4493540000e+00 -6.5315200000e-01 -9.1958600000e-01  3.1036100000e+00 -9.5396600000e-01 -2.8895700000e-01  2.3860350000e+00 -1.3641570000e+00 -1.5573120000e+00
-ENERGY -1.526590957825e+02
-FORCES  1.6163400000e-02 -4.3349000000e-03 -2.8992000000e-03 -8.3201000000e-03  2.5428000000e-03  1.2452000000e-03 -6.8800000000e-05  4.1020000000e-04 -2.1097000000e-03 -5.4490000000e-03 -2.5327000000e-03  3.2225000000e-03 -3.4561000000e-03  4.9240000000e-04 -3.3397000000e-03  1.1306000000e-03  3.4222000000e-03  3.8809000000e-03
-
-JOB 597
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2326000000e-01  5.4934700000e-01 -4.7539200000e-01  7.8286400000e-01 -6.5610000000e-03 -5.5073800000e-01 -1.3526890000e+00 -2.2540920000e+00  2.2605500000e-01 -9.9767700000e-01 -1.4557020000e+00 -1.6480600000e-01 -1.5417530000e+00 -2.8230460000e+00 -5.2012100000e-01
-ENERGY -1.526557916011e+02
-FORCES  3.5430000000e-04 -2.8344000000e-03 -1.1630000000e-04  2.1780000000e-03 -7.8319000000e-03  1.5924000000e-03 -5.3737000000e-03 -3.7940000000e-04  2.1670000000e-03  8.9443000000e-03  1.2546400000e-02 -1.3942000000e-03 -8.4010000000e-03 -5.7190000000e-03 -3.5363000000e-03  2.2981000000e-03  4.2182000000e-03  1.2876000000e-03
-
-JOB 598
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5607600000e-01 -4.9851000000e-01  7.3547900000e-01 -7.4625100000e-01  4.9499300000e-01 -3.3811800000e-01  5.2580300000e-01 -6.1113300000e-01 -2.7018960000e+00  6.8361700000e-01 -4.6994000000e-01 -1.7684130000e+00  1.3800080000e+00 -8.6032400000e-01 -3.0547010000e+00
-ENERGY -1.526614588800e+02
-FORCES -4.9996000000e-03 -1.3982000000e-03 -1.5460000000e-04  6.8960000000e-04  3.1284000000e-03 -2.9152000000e-03  4.2485000000e-03 -3.0733000000e-03  2.0966000000e-03  1.6847000000e-03  4.1740000000e-04  8.7320000000e-03  8.2910000000e-04  3.2510000000e-04 -1.0317900000e-02 -2.4523000000e-03  6.0050000000e-04  2.5591000000e-03
-
-JOB 599
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9042500000e-01  8.6293400000e-01 -1.3836400000e-01 -5.7910200000e-01 -6.0295800000e-01 -4.6617000000e-01 -9.7230000000e-01  2.4612570000e+00 -3.8400000000e-03 -1.4029800000e+00  2.1553600000e+00  7.9439100000e-01 -1.9943000000e-01  2.9332240000e+00  3.0624100000e-01
-ENERGY -1.526583062359e+02
-FORCES -6.7800000000e-03  1.6431200000e-02 -4.3008000000e-03  1.8233000000e-03 -9.3875000000e-03  6.2150000000e-03  2.4960000000e-04  3.5166000000e-03  1.6704000000e-03  4.6593000000e-03 -4.4951000000e-03  4.4855000000e-03  4.4292000000e-03 -1.9750000000e-03 -6.5941000000e-03 -4.3814000000e-03 -4.0903000000e-03 -1.4760000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8568500000e-01 -7.4163900000e-01  4.6631600000e-01  1.2847000000e-02 -2.6233200000e-01 -9.2046100000e-01  2.2767620000e+00  1.4962870000e+00  4.2651400000e-01  1.4846270000e+00  1.0821410000e+00  8.4116000000e-02  2.6905040000e+00  8.1812100000e-01  9.6049900000e-01
-ENERGY -1.526574272250e+02
-FORCES  2.4335000000e-03 -3.2599000000e-03  5.2730000000e-04  3.2250000000e-04  5.4145000000e-03 -2.9079000000e-03  2.2798000000e-03  2.7790000000e-03  5.6657000000e-03 -1.2754500000e-02 -8.8035000000e-03 -5.3550000000e-04  9.5840000000e-03  2.9589000000e-03 -1.0722000000e-03 -1.8652000000e-03  9.1090000000e-04 -1.6774000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3090600000e-01  3.7011100000e-01 -8.5201600000e-01  1.6204900000e-01  7.0951400000e-01  6.2174100000e-01  2.4349400000e-01  1.3734800000e+00  2.2646820000e+00 -6.8080700000e-01  1.6222260000e+00  2.2696090000e+00  3.1834700000e-01  7.1445300000e-01  2.9548350000e+00
-ENERGY -1.526592892756e+02
-FORCES  3.8812000000e-03  7.9359000000e-03  1.1994600000e-02 -4.5340000000e-04  1.0199000000e-03  4.4391000000e-03 -5.1058000000e-03 -2.7741000000e-03 -9.6235000000e-03 -2.5362000000e-03 -8.2102000000e-03 -1.6517000000e-03  5.5375000000e-03 -2.3337000000e-03 -2.7068000000e-03 -1.3232000000e-03  4.3622000000e-03 -2.4517000000e-03
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5051300000e-01 -6.5611100000e-01 -6.5038000000e-01 -5.7739100000e-01  7.4329700000e-01 -1.7424500000e-01 -3.4268880000e+00 -1.2444500000e+00  2.9439400000e-01 -2.8709780000e+00 -7.8582100000e-01  9.2435800000e-01 -3.3829050000e+00 -7.0976600000e-01 -4.9833000000e-01
-ENERGY -1.526546169652e+02
-FORCES -1.5786000000e-03 -1.8030000000e-04 -4.4018000000e-03  8.5870000000e-04  3.7876000000e-03  2.8257000000e-03  1.1248000000e-03 -3.8421000000e-03  1.4077000000e-03  2.4987000000e-03  3.8880000000e-03  6.9570000000e-04 -3.7085000000e-03 -1.5563000000e-03 -3.3719000000e-03  8.0480000000e-04 -2.0968000000e-03  2.8446000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6664000000e-02 -3.4124700000e-01  8.9355300000e-01  8.7988600000e-01  3.3955500000e-01 -1.6350900000e-01 -1.2193870000e+00 -3.2718480000e+00  1.1164250000e+00 -8.4627700000e-01 -2.5397700000e+00  1.6074270000e+00 -2.0311530000e+00 -2.9241990000e+00  7.4709100000e-01
-ENERGY -1.526526524332e+02
-FORCES  5.0794000000e-03  1.0470000000e-04  2.0641000000e-03 -1.6059000000e-03 -1.5100000000e-05 -2.6905000000e-03 -3.9047000000e-03 -1.2622000000e-03  7.7610000000e-04 -2.2489000000e-03  4.8103000000e-03 -1.1895000000e-03 -4.1490000000e-04 -1.5422000000e-03 -1.3378000000e-03  3.0950000000e-03 -2.0954000000e-03  2.3777000000e-03
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8919400000e-01 -8.9085000000e-02  3.4297300000e-01  4.6375400000e-01  5.0912900000e-01  6.6479500000e-01  1.8754940000e+00 -1.8721240000e+00  6.0845300000e-01  1.4937680000e+00 -2.6281430000e+00  1.0544940000e+00  1.1243920000e+00 -1.3262250000e+00  3.7591700000e-01
-ENERGY -1.526592217791e+02
-FORCES  7.5560000000e-04  2.4860000000e-04  3.8083000000e-03  5.3860000000e-03 -1.3600000000e-04 -8.9450000000e-04 -2.2279000000e-03 -6.5580000000e-03 -3.5270000000e-03 -1.2140700000e-02  6.7813000000e-03 -4.6410000000e-03 -3.0490000000e-04  3.1955000000e-03 -1.3495000000e-03  8.5319000000e-03 -3.5314000000e-03  6.6036000000e-03
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2645800000e-01 -4.3400000000e-01  2.1176200000e-01  6.4304700000e-01 -7.0850800000e-01 -2.7186000000e-02  5.3826300000e-01  1.4199900000e+00  2.1938430000e+00  1.1991990000e+00  2.1104110000e+00  2.2459320000e+00  6.2049500000e-01  1.0756460000e+00  1.3045200000e+00
-ENERGY -1.526595845739e+02
-FORCES -2.9820000000e-03 -8.8030000000e-04  7.6003000000e-03  4.6513000000e-03  6.5940000000e-04 -2.3704000000e-03 -2.6530000000e-03  4.8350000000e-03  1.5355000000e-03 -2.9822000000e-03 -5.8987000000e-03 -1.2372800000e-02 -1.6111000000e-03 -3.3885000000e-03 -2.7529000000e-03  5.5770000000e-03  4.6731000000e-03  8.3603000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5390300000e-01 -1.9519000000e-02 -7.6935000000e-02 -1.8435000000e-01 -4.6257900000e-01  8.1747600000e-01 -2.6886700000e-01 -1.7259120000e+00 -2.2277800000e+00 -2.7919500000e-01 -1.3575470000e+00 -1.3443590000e+00 -4.1477700000e-01 -9.7468500000e-01 -2.8027590000e+00
-ENERGY -1.526599389659e+02
-FORCES  3.6900000000e-03  2.2100000000e-05  1.9940000000e-03 -6.0282000000e-03 -1.2401000000e-03 -2.6840000000e-04  1.2026000000e-03  7.7490000000e-04 -5.9796000000e-03 -1.5499000000e-03  1.1076200000e-02  8.3786000000e-03  1.5697000000e-03 -8.0306000000e-03 -4.7328000000e-03  1.1157000000e-03 -2.6025000000e-03  6.0820000000e-04
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6703700000e-01  3.2832400000e-01  8.8347800000e-01 -4.5301200000e-01 -8.4258700000e-01 -3.2535000000e-02  1.0147360000e+00 -2.4704400000e+00  2.2887420000e+00  7.2275300000e-01 -3.2046990000e+00  2.8289670000e+00  1.0385390000e+00 -2.8218830000e+00  1.3987130000e+00
-ENERGY -1.526552945665e+02
-FORCES -2.1069000000e-03 -2.2241000000e-03  5.8383000000e-03 -1.9350000000e-04  1.4410000000e-04 -4.5903000000e-03  2.1040000000e-03  2.4250000000e-03 -1.2513000000e-03  8.8010000000e-04 -4.9918000000e-03 -1.3793000000e-03  9.4510000000e-04  3.4271000000e-03 -2.5363000000e-03 -1.6286000000e-03  1.2198000000e-03  3.9190000000e-03
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8678300000e-01  5.0110100000e-01  2.1471300000e-01  1.5423600000e-01 -5.4644700000e-01  7.7061000000e-01 -5.7917900000e-01 -1.1166380000e+00  2.4922630000e+00 -8.9195800000e-01 -5.7475600000e-01  3.2166690000e+00 -1.7419000000e-02 -1.7711560000e+00  2.9073090000e+00
-ENERGY -1.526584782446e+02
-FORCES -6.0374000000e-03 -4.0005000000e-03  1.2872100000e-02  1.8630000000e-03  4.9830000000e-04 -1.8384000000e-03  4.7527000000e-03  1.3730000000e-04 -6.2370000000e-03  2.7870000000e-04  2.4464000000e-03  1.3629000000e-03  1.2289000000e-03 -3.2208000000e-03 -3.2517000000e-03 -2.0860000000e-03  4.1394000000e-03 -2.9078000000e-03
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8422000000e-02 -3.8481500000e-01 -8.7598000000e-01 -9.1340700000e-01  2.0133700000e-01  2.0342900000e-01 -2.5935830000e+00  3.5189200000e-01  9.8479800000e-01 -2.9141350000e+00 -4.0075300000e-01  1.4817920000e+00 -3.3861460000e+00  7.8879100000e-01  6.7303800000e-01
-ENERGY -1.526612605612e+02
-FORCES -1.1105700000e-02  1.2295000000e-03  1.6100000000e-03 -8.3130000000e-04  1.1573000000e-03  2.6757000000e-03  9.2391000000e-03 -1.6829000000e-03 -3.6905000000e-03 -5.8380000000e-04 -1.7843000000e-03  4.7640000000e-04  8.9100000000e-05  4.2008000000e-03 -2.9100000000e-03  3.1926000000e-03 -3.1205000000e-03  1.8384000000e-03
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0353800000e-01  7.1787000000e-01 -1.9140900000e-01 -1.4250000000e-01 -1.9270900000e-01  9.2670900000e-01 -5.4855000000e-01 -1.5921730000e+00 -2.3980160000e+00 -6.5603400000e-01 -1.1788220000e+00 -1.5413830000e+00  3.8682800000e-01 -1.7873500000e+00 -2.4546340000e+00
-ENERGY -1.526603987053e+02
-FORCES -1.1337000000e-03  3.2117000000e-03  3.4815000000e-03  2.2107000000e-03 -5.5787000000e-03  5.7890000000e-04  3.8240000000e-04  1.2397000000e-03 -4.8187000000e-03  6.0100000000e-03  4.0000000000e-03  9.0441000000e-03 -4.6629000000e-03 -2.4667000000e-03 -7.1179000000e-03 -2.8065000000e-03 -4.0600000000e-04 -1.1679000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7354600000e-01  6.7443400000e-01 -6.5669800000e-01 -7.4689200000e-01 -5.9521000000e-01 -6.4099000000e-02 -6.8299500000e-01  1.3004400000e+00  2.2987120000e+00 -2.1748400000e-01  8.2574000000e-01  1.6100970000e+00  9.4920000000e-03  1.7010080000e+00  2.8242970000e+00
-ENERGY -1.526613083073e+02
-FORCES -5.9915000000e-03  2.4732000000e-03  1.6000000000e-04  7.5720000000e-04 -3.6200000000e-03  3.6770000000e-03  3.9172000000e-03  3.7648000000e-03  2.2610000000e-04  5.6851000000e-03 -6.5679000000e-03 -1.0088900000e-02 -3.3195000000e-03  5.6928000000e-03  9.3628000000e-03 -1.0486000000e-03 -1.7429000000e-03 -3.3370000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0664000000e-02 -4.1574500000e-01 -8.5742000000e-01 -7.3588900000e-01  6.0348200000e-01 -1.0251300000e-01 -5.2868000000e-01 -1.5264460000e+00  2.1798170000e+00 -2.5614100000e-01 -9.0815200000e-01  2.8578050000e+00 -5.2169200000e-01 -1.0143310000e+00  1.3711630000e+00
-ENERGY -1.526593323796e+02
-FORCES -7.1400000000e-04 -2.8230000000e-03 -3.1850000000e-04 -1.4380000000e-03  2.8687000000e-03  4.4966000000e-03  3.4534000000e-03 -5.0762000000e-03  2.1706000000e-03  5.6024000000e-03  1.0238800000e-02 -1.1459400000e-02 -1.3133000000e-03 -1.1454000000e-03 -1.9994000000e-03 -5.5905000000e-03 -4.0630000000e-03  7.1101000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4325500000e-01  5.9061400000e-01  5.2180500000e-01 -7.5268800000e-01 -1.9104800000e-01  5.5963700000e-01  2.6311330000e+00 -1.9384690000e+00  3.8423700000e-01  2.5122680000e+00 -1.2719760000e+00  1.0609120000e+00  3.3995510000e+00 -2.4338700000e+00  6.6768500000e-01
-ENERGY -1.526517978537e+02
-FORCES -1.3868000000e-03  1.1377000000e-03  3.3046000000e-03 -1.2567000000e-03 -3.4335000000e-03 -1.3333000000e-03  3.3878000000e-03  9.2680000000e-04 -2.2645000000e-03  1.5626000000e-03  1.2619000000e-03  3.6728000000e-03  1.4367000000e-03 -1.9646000000e-03 -1.9280000000e-03 -3.7437000000e-03  2.0716000000e-03 -1.4517000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0345100000e-01  2.3628300000e-01  8.7653900000e-01  3.5535000000e-02  8.3097100000e-01 -4.7376900000e-01  2.2855100000e-01  2.5590830000e+00 -1.5542510000e+00  1.1012070000e+00  2.4110300000e+00 -1.9186470000e+00 -2.8397400000e-01  2.8971420000e+00 -2.2885990000e+00
-ENERGY -1.526617911439e+02
-FORCES -1.5496000000e-03  8.5730000000e-03 -1.4928000000e-03  8.7090000000e-04 -7.3150000000e-04 -2.7452000000e-03  1.8886000000e-03 -8.9422000000e-03  4.8275000000e-03  4.6910000000e-04  2.0401000000e-03 -5.5672000000e-03 -5.0690000000e-03 -4.5600000000e-05  2.0129000000e-03  3.3900000000e-03 -8.9390000000e-04  2.9648000000e-03
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6534800000e-01 -5.4487000000e-01  7.4090400000e-01  6.0120200000e-01  7.4451100000e-01  2.2160000000e-02 -1.0854890000e+00  2.1956870000e+00 -2.6023330000e+00 -1.2047950000e+00  2.4833800000e+00 -1.6972200000e+00 -1.3706000000e-01  2.1972260000e+00 -2.7316050000e+00
-ENERGY -1.526530116603e+02
-FORCES  3.7624000000e-03 -3.9830000000e-04  3.4411000000e-03 -1.2178000000e-03  2.4056000000e-03 -3.3877000000e-03 -3.0641000000e-03 -2.1086000000e-03 -7.0080000000e-04  2.7260000000e-03 -8.0340000000e-04  3.8359000000e-03  1.2335000000e-03  2.2980000000e-04 -4.0143000000e-03 -3.4399000000e-03  6.7490000000e-04  8.2580000000e-04
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5991700000e-01  6.8211600000e-01 -6.5220900000e-01 -5.5857800000e-01  4.1974500000e-01  6.5424500000e-01 -2.4267790000e+00  8.0930200000e-01  9.9881300000e-01 -2.7094920000e+00  1.4131930000e+00  3.1206700000e-01 -2.9563270000e+00  2.3971000000e-02  8.6072900000e-01
-ENERGY -1.526580191211e+02
-FORCES -1.1461300000e-02  6.6989000000e-03  4.6411000000e-03 -1.5421000000e-03 -1.7915000000e-03  1.7706000000e-03  8.2886000000e-03 -1.8926000000e-03 -2.7598000000e-03  1.1069000000e-03 -4.8537000000e-03 -7.3427000000e-03  2.1824000000e-03 -2.7338000000e-03  2.8582000000e-03  1.4255000000e-03  4.5728000000e-03  8.3260000000e-04
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3323200000e-01 -3.3100100000e-01 -8.3404200000e-01  7.0689900000e-01  5.4844300000e-01  3.4020100000e-01 -6.5486000000e-02 -1.0828250000e+00  2.6775790000e+00 -1.9672000000e-02 -3.8541700000e-01  3.3316090000e+00 -1.8157100000e-01 -6.2421700000e-01  1.8454530000e+00
-ENERGY -1.526588293941e+02
-FORCES  4.4467000000e-03 -2.3047000000e-03 -3.2729000000e-03 -8.4790000000e-04  3.1452000000e-03  3.3020000000e-03 -5.0101000000e-03 -4.0075000000e-03  1.1448000000e-03 -2.2118000000e-03  3.4642000000e-03 -7.1496000000e-03  6.1730000000e-04 -1.4091000000e-03 -3.7654000000e-03  3.0059000000e-03  1.1119000000e-03  9.7412000000e-03
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8563700000e-01  2.1404700000e-01  2.9336500000e-01  3.0713200000e-01 -6.5766100000e-01  6.2400600000e-01  3.1543210000e+00 -1.0839210000e+00  3.9969800000e-01  3.4583440000e+00 -1.8797940000e+00  8.3603200000e-01  2.3520240000e+00 -1.3485040000e+00 -5.0354000000e-02
-ENERGY -1.526540596510e+02
-FORCES -3.0210000000e-03  6.6400000000e-05  5.0190000000e-03  3.8400000000e-03 -8.1600000000e-04 -1.0496000000e-03 -5.2540000000e-04  5.8450000000e-04 -5.2355000000e-03 -6.5130000000e-04 -3.6072000000e-03 -2.2675000000e-03 -1.9660000000e-03  3.6497000000e-03 -1.5396000000e-03  2.3236000000e-03  1.2250000000e-04  5.0732000000e-03
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1741600000e-01  4.7430800000e-01 -8.0249300000e-01  8.0121800000e-01 -4.7370900000e-01  2.2334200000e-01  6.4013100000e-01  1.1747570000e+00 -2.2452660000e+00  1.4845780000e+00  1.6246410000e+00 -2.2725610000e+00  6.4146100000e-01  6.1456100000e-01 -3.0214170000e+00
-ENERGY -1.526581970359e+02
-FORCES  6.5064000000e-03  8.4068000000e-03 -1.7301600000e-02 -1.8981000000e-03 -3.7778000000e-03  7.6588000000e-03 -1.3731000000e-03  1.7822000000e-03 -1.6542000000e-03 -7.4840000000e-04 -5.9875000000e-03  7.4020000000e-03 -4.0761000000e-03 -3.8855000000e-03 -2.5760000000e-04  1.5892000000e-03  3.4617000000e-03  4.1525000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5987200000e-01 -2.6137000000e-01 -5.2010800000e-01 -5.4814800000e-01  4.9573200000e-01 -6.0828900000e-01 -2.3907790000e+00 -1.1237260000e+00 -4.5980700000e-01 -3.0717750000e+00 -1.2102680000e+00  2.0726600000e-01 -1.6293060000e+00 -7.9233500000e-01  1.6188000000e-02
-ENERGY -1.526583731432e+02
-FORCES -2.3719000000e-03 -3.3626000000e-03 -6.6184000000e-03 -3.3919000000e-03  2.6794000000e-03  1.7965000000e-03 -1.1700000000e-05 -6.5838000000e-03  6.0733000000e-03  1.0434200000e-02  1.4057000000e-03  5.1329000000e-03  4.0513000000e-03  1.0949000000e-03 -1.0449000000e-03 -8.7100000000e-03  4.7663000000e-03 -5.3394000000e-03
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1928000000e-01  1.4290000000e-01 -2.2524700000e-01  1.4955000000e-02 -8.6471300000e-01  4.1021900000e-01  2.3798400000e+00 -9.0333700000e-01 -8.1678700000e-01  1.4782130000e+00 -5.8210000000e-01 -8.2717700000e-01  2.5415960000e+00 -1.1934640000e+00 -1.7145030000e+00
-ENERGY -1.526587240810e+02
-FORCES  1.0562000000e-03 -2.7727000000e-03  4.8300000000e-04  4.4648000000e-03 -1.6905000000e-03  1.7231000000e-03  1.1622000000e-03  4.9796000000e-03 -6.1178000000e-03 -1.0486800000e-02  6.5379000000e-03 -9.0000000000e-06  6.1384000000e-03 -8.5212000000e-03  1.2288000000e-03 -2.3348000000e-03  1.4670000000e-03  2.6918000000e-03
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0854100000e-01 -2.8051500000e-01  1.0998300000e-01 -3.3325200000e-01  8.9618000000e-02  8.9282900000e-01 -1.6004960000e+00  3.2100270000e+00  1.5619290000e+00 -2.4670810000e+00  2.9683120000e+00  1.2350710000e+00 -1.7526920000e+00  3.9955110000e+00  2.0873660000e+00
-ENERGY -1.526548738882e+02
-FORCES  2.4410000000e-03  8.5460000000e-04  4.7081000000e-03 -3.4912000000e-03  7.8930000000e-04 -5.4490000000e-04  1.1623000000e-03 -2.1673000000e-03 -3.9744000000e-03 -4.3403000000e-03  3.0011000000e-03 -7.0100000000e-05  3.5533000000e-03  8.1730000000e-04  2.0690000000e-03  6.7490000000e-04 -3.2950000000e-03 -2.1878000000e-03
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3870200000e-01 -1.7787300000e-01 -4.2564300000e-01 -1.3280600000e-01  8.3241700000e-01  4.5351600000e-01  2.4705140000e+00  6.0321200000e-01 -9.2134500000e-01  1.5247640000e+00  4.5564900000e-01 -9.1749800000e-01  2.6542040000e+00  9.5999600000e-01 -1.7903640000e+00
-ENERGY -1.526594349414e+02
-FORCES -1.3200000000e-05  2.0510000000e-03  1.5813000000e-03  4.7290000000e-03  1.8687000000e-03  1.7420000000e-03  8.3060000000e-04 -4.3272000000e-03 -4.5613000000e-03 -1.1324900000e-02 -4.0253000000e-03  1.9734000000e-03  8.6863000000e-03  5.8818000000e-03 -3.5111000000e-03 -2.9077000000e-03 -1.4490000000e-03  2.7758000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8999000000e-02  6.7586900000e-01  6.7669200000e-01  2.7024100000e-01  4.4739700000e-01 -8.0189600000e-01  4.1586000000e-01  1.2071780000e+00 -2.4797310000e+00  8.1849100000e-01  7.9746700000e-01 -3.2454060000e+00 -2.9523200000e-01  1.7384690000e+00 -2.8379340000e+00
-ENERGY -1.526613514029e+02
-FORCES  2.6352000000e-03  6.6135000000e-03 -9.2896000000e-03 -4.2090000000e-04 -1.2588000000e-03 -2.8197000000e-03 -9.1390000000e-04 -3.7709000000e-03  9.3130000000e-03 -2.6853000000e-03 -2.0643000000e-03 -5.8790000000e-04 -2.7387000000e-03  2.7988000000e-03  2.8121000000e-03  4.1235000000e-03 -2.3184000000e-03  5.7220000000e-04
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6332800000e-01 -5.5040200000e-01  1.7498700000e-01  3.6747300000e-01  8.5027800000e-01 -2.4129600000e-01 -2.5194320000e+00  6.5617900000e-01  5.9800600000e-01 -1.5899740000e+00  4.2838200000e-01  5.7686600000e-01 -2.6447480000e+00  1.0742270000e+00  1.4499240000e+00
-ENERGY -1.526592755653e+02
-FORCES -3.0698000000e-03  5.0880000000e-04  1.1519000000e-03 -2.4930000000e-03  4.0880000000e-03 -1.8148000000e-03 -2.2037000000e-03 -4.7466000000e-03  2.9777000000e-03  1.2539000000e-02 -4.9549000000e-03 -7.1030000000e-04 -7.0342000000e-03  6.4320000000e-03  1.0186000000e-03  2.2617000000e-03 -1.3273000000e-03 -2.6231000000e-03
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1334300000e-01 -6.2377800000e-01 -6.5494200000e-01 -7.8049400000e-01  2.3193000000e-01  5.0325900000e-01 -1.3595880000e+00 -1.8374000000e+00 -1.4628020000e+00 -1.8826590000e+00 -1.1634820000e+00 -1.8969270000e+00 -1.1577910000e+00 -2.4673330000e+00 -2.1546790000e+00
-ENERGY -1.526583293292e+02
-FORCES -8.1142000000e-03 -1.2098400000e-02 -5.2868000000e-03  1.6483000000e-03  9.0515000000e-03  1.4831000000e-03  1.5962000000e-03  9.0000000000e-07 -2.3534000000e-03  1.4250000000e-03  1.4636000000e-03 -8.8820000000e-04  5.2444000000e-03 -2.3719000000e-03  3.9366000000e-03 -1.7996000000e-03  3.9543000000e-03  3.1086000000e-03
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9781700000e-01  8.0602000000e-01 -4.7689900000e-01  8.5621800000e-01 -3.4682100000e-01  2.5067400000e-01 -2.7112200000e-01  2.4689430000e+00 -1.6208330000e+00 -4.2726000000e-01  1.9028190000e+00 -2.3767150000e+00 -1.0938510000e+00  2.9436530000e+00 -1.5025200000e+00
-ENERGY -1.526609759257e+02
-FORCES  2.3486000000e-03  6.9207000000e-03 -2.0284000000e-03  1.2935000000e-03 -1.0237700000e-02  2.4337000000e-03 -2.6889000000e-03  1.9879000000e-03 -1.5791000000e-03 -6.3229000000e-03  1.2770000000e-03 -2.1969000000e-03  1.5774000000e-03  1.8822000000e-03  5.2085000000e-03  3.7924000000e-03 -1.8302000000e-03 -1.8378000000e-03
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1138600000e-01  3.3159500000e-01 -3.8461500000e-01 -2.7521300000e-01 -7.4259800000e-01  5.3762200000e-01 -2.0962470000e+00  1.6681920000e+00 -1.3654570000e+00 -1.9285080000e+00  2.2951020000e+00 -6.6183800000e-01 -2.1712230000e+00  2.2063140000e+00 -2.1535150000e+00
-ENERGY -1.526604231443e+02
-FORCES -6.0220000000e-03 -1.1370000000e-04 -3.3665000000e-03  5.7290000000e-03 -2.5875000000e-03  7.5971000000e-03  3.3790000000e-04  2.9471000000e-03 -1.9976000000e-03  7.8880000000e-04  5.5321000000e-03 -3.1014000000e-03 -3.2450000000e-04 -4.7015000000e-03 -3.2557000000e-03 -5.0920000000e-04 -1.0765000000e-03  4.1241000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1243300000e-01  4.1511600000e-01  2.8959000000e-01  6.7425700000e-01  6.6316000000e-01  1.4774300000e-01 -2.5539830000e+00  2.9084800000e-01  6.8014500000e-01 -3.3223210000e+00  6.7488400000e-01  2.5776600000e-01 -2.9130310000e+00 -2.6478700000e-01  1.3719450000e+00
-ENERGY -1.526595628815e+02
-FORCES -1.1842500000e-02  2.3585000000e-03  3.2448000000e-03  9.1098000000e-03  6.8390000000e-04 -1.5267000000e-03 -4.0832000000e-03 -1.0734000000e-03  1.7310000000e-04  4.1608000000e-03 -3.0495000000e-03 -1.1746000000e-03  2.9137000000e-03 -2.3343000000e-03  2.8931000000e-03 -2.5860000000e-04  3.4149000000e-03 -3.6097000000e-03
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6849900000e-01 -4.6458500000e-01 -5.0348900000e-01  3.8296400000e-01 -6.7013000000e-01  5.6612400000e-01  4.1625000000e-01  2.0942130000e+00  1.4792290000e+00  1.0845500000e-01  1.3257110000e+00  9.9871000000e-01  1.2793200000e+00  2.2790420000e+00  1.1088500000e+00
-ENERGY -1.526576308333e+02
-FORCES -5.2380000000e-04  7.0704000000e-03  5.5708000000e-03  4.5431000000e-03  7.9180000000e-04  3.1522000000e-03 -2.8776000000e-03  5.1152000000e-03 -2.7661000000e-03 -2.8617000000e-03 -1.3589100000e-02 -1.4151600000e-02  3.4341000000e-03  1.7806000000e-03  6.8720000000e-03 -1.7142000000e-03 -1.1689000000e-03  1.3226000000e-03
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8105500000e-01 -7.2757600000e-01  2.2190100000e-01  6.1532000000e-02  5.9321100000e-01  7.4869700000e-01  7.5719800000e-01  6.3146800000e-01 -2.5553820000e+00  3.2205800000e-01  2.4577900000e-01 -1.7950350000e+00  8.4824700000e-01 -9.3857000000e-02 -3.1733190000e+00
-ENERGY -1.526593434929e+02
-FORCES  4.6631000000e-03  4.1481000000e-03 -4.7340000000e-04 -2.9741000000e-03  3.6130000000e-03 -2.3040000000e-03  7.3000000000e-05 -4.3553000000e-03 -1.9786000000e-03 -4.7131000000e-03 -2.7580000000e-03  1.0352300000e-02  3.3759000000e-03 -1.7212000000e-03 -9.6899000000e-03 -4.2480000000e-04  1.0733000000e-03  4.0937000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2504000000e-02  5.5606600000e-01  7.7901600000e-01  5.9923000000e-01 -7.1705300000e-01  2.0733900000e-01  1.7646020000e+00 -1.8212030000e+00  1.0319770000e+00  1.7795450000e+00 -2.6002830000e+00  1.5878930000e+00  2.5425700000e+00 -1.9048530000e+00  4.8061500000e-01
-ENERGY -1.526601152754e+02
-FORCES  8.2873000000e-03 -8.1869000000e-03  8.6776000000e-03 -6.2000000000e-04 -8.7560000000e-04 -2.1160000000e-03 -2.3275000000e-03  5.3657000000e-03 -5.8631000000e-03 -2.4625000000e-03 -1.4650000000e-04 -6.9320000000e-04  2.0035000000e-03  3.6959000000e-03 -2.7584000000e-03 -4.8808000000e-03  1.4750000000e-04  2.7531000000e-03
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6607100000e-01  4.1377300000e-01  8.2111500000e-01 -7.6035200000e-01 -5.1733200000e-01 -2.6545000000e-01  2.7571100000e+00 -9.5370000000e-01 -1.5009890000e+00  2.9493220000e+00 -1.6215780000e+00 -8.4279100000e-01  1.9532420000e+00 -1.2569580000e+00 -1.9229630000e+00
-ENERGY -1.526529896798e+02
-FORCES -3.7808000000e-03  1.0720000000e-03  3.0216000000e-03  1.1375000000e-03 -2.0139000000e-03 -3.5204000000e-03  4.2742000000e-03  1.4986000000e-03  3.1300000000e-04 -5.6780000000e-03 -2.1658000000e-03  3.2803000000e-03  2.5250000000e-04  1.9369000000e-03 -2.8969000000e-03  3.7946000000e-03 -3.2790000000e-04 -1.9760000000e-04
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2542000000e-02  6.0722000000e-02  9.5519000000e-01  9.1708300000e-01 -1.2381600000e-01 -2.4466300000e-01  2.6493490000e+00 -3.1068400000e-01 -5.9102400000e-01  2.8043170000e+00  1.8126700000e-01 -1.3973740000e+00  2.6388060000e+00  3.5420700000e-01  9.7481000000e-02
-ENERGY -1.526560003140e+02
-FORCES  1.3799900000e-02 -5.2921000000e-03 -2.4817000000e-03  2.4212000000e-03  6.1290000000e-04 -3.3837000000e-03 -5.7581000000e-03  7.9307000000e-03  5.6557000000e-03 -1.2354000000e-03  4.6909000000e-03 -1.0392000000e-03 -1.9983000000e-03 -2.5894000000e-03  5.1534000000e-03 -7.2294000000e-03 -5.3529000000e-03 -3.9045000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9023000000e-02 -3.9176400000e-01  8.7315000000e-01  9.2792500000e-01  1.9536000000e-02 -2.3410700000e-01 -2.8601450000e+00 -1.3791480000e+00 -1.7812000000e-02 -2.2910930000e+00 -2.0627820000e+00  3.3582000000e-01 -3.5618130000e+00 -1.8563180000e+00 -4.6075800000e-01
-ENERGY -1.526517881794e+02
-FORCES  2.6886000000e-03 -6.9660000000e-04  3.0941000000e-03  3.2110000000e-04  3.7560000000e-04 -3.8505000000e-03 -4.4120000000e-03 -2.5350000000e-04  5.7320000000e-04  8.5060000000e-04 -4.3603000000e-03 -1.6402000000e-03 -2.4884000000e-03  2.7167000000e-03  2.0440000000e-04  3.0402000000e-03  2.2182000000e-03  1.6191000000e-03
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0040200000e-01 -3.3304400000e-01  4.0579600000e-01  2.9876800000e-01  4.3421700000e-01 -7.9901500000e-01 -9.1354600000e-01  1.0350200000e+00  2.3196360000e+00 -1.8119470000e+00  1.3389370000e+00  2.4490250000e+00 -8.2894700000e-01  9.3283600000e-01  1.3716730000e+00
-ENERGY -1.526606060408e+02
-FORCES  3.8016000000e-03 -9.8600000000e-05  4.2741000000e-03 -3.6844000000e-03  2.2245000000e-03 -3.7566000000e-03 -1.4299000000e-03 -1.6178000000e-03  4.6010000000e-03  1.7332000000e-03 -4.2901000000e-03 -1.1342500000e-02  2.7914000000e-03 -1.0777000000e-03 -2.5713000000e-03 -3.2119000000e-03  4.8597000000e-03  8.7953000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7520700000e-01  6.5198400000e-01 -1.8773200000e-01 -3.9183400000e-01 -5.6682000000e-01  6.6439000000e-01 -2.0468430000e+00  2.0151970000e+00 -5.5064300000e-01 -2.7966360000e+00  1.4852830000e+00 -2.8002900000e-01 -1.8423130000e+00  2.5507500000e+00  2.1589700000e-01
-ENERGY -1.526594869817e+02
-FORCES -8.0351000000e-03  5.7013000000e-03 -1.8569000000e-03  6.3796000000e-03 -7.5823000000e-03  5.3985000000e-03  1.2210000000e-04  2.7628000000e-03 -2.1901000000e-03 -4.2690000000e-03  2.8958000000e-03  2.8001000000e-03  6.0968000000e-03  1.3385000000e-03 -3.4830000000e-04 -2.9440000000e-04 -5.1161000000e-03 -3.8033000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2072300000e-01  7.2805100000e-01 -2.9617000000e-02 -1.6835200000e-01 -4.9175300000e-01 -8.0378400000e-01 -3.1375030000e+00 -1.5436350000e+00  2.4032300000e-01 -2.3905490000e+00 -1.9594440000e+00  6.7089900000e-01 -2.7885670000e+00 -1.2272380000e+00 -5.9296500000e-01
-ENERGY -1.526543028867e+02
-FORCES -2.5284000000e-03  2.8017000000e-03 -3.0277000000e-03  2.9729000000e-03 -3.6248000000e-03 -6.3100000000e-04 -9.6400000000e-04  1.1293000000e-03  3.9663000000e-03  5.8847000000e-03 -4.7940000000e-04 -3.2380000000e-04 -4.3700000000e-03  6.4210000000e-04 -2.3525000000e-03 -9.9520000000e-04 -4.6890000000e-04  2.3686000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1786500000e-01 -4.7446300000e-01 -1.4904100000e-01 -6.8248000000e-01 -6.6587200000e-01 -8.4067000000e-02 -3.6746000000e-02  1.5171470000e+00 -2.3683000000e+00 -3.4218400000e-01  1.1415500000e+00 -1.5425480000e+00  8.9740700000e-01  1.6734350000e+00 -2.2298660000e+00
-ENERGY -1.526589087787e+02
-FORCES  2.5005000000e-03 -4.0001000000e-03 -3.8291000000e-03 -3.9401000000e-03  2.5768000000e-03  7.9400000000e-04  3.4046000000e-03  4.4157000000e-03 -8.7550000000e-04  2.8884000000e-03 -5.3686000000e-03  1.3063400000e-02 -3.0303000000e-03  3.1863000000e-03 -7.7827000000e-03 -1.8231000000e-03 -8.1010000000e-04 -1.3701000000e-03
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1508500000e-01 -6.3233300000e-01  7.1000000000e-02 -3.1146100000e-01  6.4410500000e-01 -6.3588700000e-01 -3.2617710000e+00  1.5086670000e+00  3.8466200000e-01 -3.5691130000e+00  1.2194560000e+00  1.2438070000e+00 -3.7738130000e+00  2.2958180000e+00  1.9908700000e-01
-ENERGY -1.526562417884e+02
-FORCES -6.5682000000e-03  1.5807000000e-03 -2.1412000000e-03  3.6978000000e-03  9.8290000000e-04  1.6890000000e-04  3.3530000000e-03 -2.8578000000e-03  1.3534000000e-03 -3.5559000000e-03  2.6307000000e-03  3.7480000000e-03  8.3180000000e-04  9.4670000000e-04 -3.8896000000e-03  2.2415000000e-03 -3.2832000000e-03  7.6060000000e-04
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5842500000e-01  4.5693700000e-01 -8.0041000000e-01  8.1466200000e-01  4.2574400000e-01  2.6701900000e-01 -9.5059100000e-01  1.4820560000e+00 -1.9163270000e+00 -1.7131200000e+00  9.9935700000e-01 -2.2353610000e+00 -1.3064320000e+00  2.0946310000e+00 -1.2726180000e+00
-ENERGY -1.526579112349e+02
-FORCES -4.5225000000e-03  1.1835700000e-02 -1.7523900000e-02  3.7390000000e-04 -4.7551000000e-03  9.0739000000e-03 -3.1240000000e-03  5.3780000000e-04 -1.4813000000e-03 -5.9950000000e-04 -4.7467000000e-03  9.2456000000e-03  4.8739000000e-03  2.0370000000e-03  3.5783000000e-03  2.9982000000e-03 -4.9088000000e-03 -2.8925000000e-03
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5079700000e-01  1.0812200000e-01  2.2955000000e-02  1.7826600000e-01 -3.7376000000e-01 -8.6299300000e-01  3.8133690000e+00 -1.5180910000e+00  1.9154800000e-01  4.6855060000e+00 -1.9105220000e+00  1.5147700000e-01  3.2131140000e+00 -2.2625950000e+00  1.5105600000e-01
-ENERGY -1.526536085161e+02
-FORCES -2.6932000000e-03 -4.2680000000e-04 -3.7038000000e-03  3.9941000000e-03 -4.8950000000e-04 -6.2000000000e-06 -1.2561000000e-03  9.4070000000e-04  3.6994000000e-03  8.0360000000e-04 -4.5372000000e-03  4.6260000000e-04 -3.6182000000e-03  1.6951000000e-03  1.5130000000e-04  2.7699000000e-03  2.8177000000e-03 -6.0340000000e-04
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6675200000e-01  5.1778000000e-02 -6.8483100000e-01  7.7799300000e-01 -3.3311600000e-01 -4.4720600000e-01  2.6772740000e+00 -7.2408000000e-01 -6.6160400000e-01  2.7785630000e+00 -1.2166520000e+00 -1.4760630000e+00  3.3840410000e+00 -7.8866000000e-02 -6.8187500000e-01
-ENERGY -1.526599322237e+02
-FORCES  8.2469000000e-03 -2.3068000000e-03 -3.4678000000e-03  3.5256000000e-03 -7.2530000000e-04  1.3256000000e-03 -1.0867400000e-02  1.0723000000e-03 -1.7630000000e-04  3.8402000000e-03  2.6847000000e-03 -5.7920000000e-04 -2.2577000000e-03  3.4493000000e-03  3.7997000000e-03 -2.4877000000e-03 -4.1742000000e-03 -9.0210000000e-04
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2127800000e-01  8.7399000000e-02 -6.2317800000e-01  3.4695200000e-01 -5.6416600000e-01  6.9106700000e-01 -2.1495180000e+00 -1.6204790000e+00 -6.1813000000e-01 -2.9225920000e+00 -1.2231190000e+00 -2.1726300000e-01 -1.4404190000e+00 -1.0043000000e+00 -4.3446600000e-01
-ENERGY -1.526613836977e+02
-FORCES  2.0362000000e-03 -3.1258000000e-03 -1.3526000000e-03 -3.1030000000e-03 -9.2160000000e-04  4.0376000000e-03 -2.9286000000e-03  2.4588000000e-03 -4.7816000000e-03  8.4341000000e-03  1.0405200000e-02  2.4964000000e-03  2.9881000000e-03 -6.7270000000e-04 -5.4720000000e-04 -7.4268000000e-03 -8.1440000000e-03  1.4740000000e-04
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5214500000e-01  5.2509000000e-02 -8.3036000000e-02  1.5129900000e-01 -7.7442600000e-01  5.4185300000e-01 -3.5049800000e-01  1.9939620000e+00 -2.3505830000e+00  5.6991400000e-01  1.7611340000e+00 -2.4725030000e+00 -3.9209600000e-01  2.3517550000e+00 -1.4637420000e+00
-ENERGY -1.526564248126e+02
-FORCES -4.3126000000e-03 -3.3203000000e-03  3.7540000000e-04  4.1956000000e-03  3.2030000000e-04  2.4443000000e-03 -7.1220000000e-04  3.1362000000e-03 -2.8675000000e-03  6.0167000000e-03 -2.2766000000e-03  5.4229000000e-03 -3.2151000000e-03  2.4332000000e-03 -1.5469000000e-03 -1.9724000000e-03 -2.9280000000e-04 -3.8281000000e-03
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7755900000e-01 -5.1340000000e-01 -5.6487000000e-01 -5.5821200000e-01  4.8669700000e-01 -6.0643000000e-01 -1.8229500000e-01 -1.2191400000e+00  2.5691860000e+00 -1.9860800000e-01 -4.7631100000e-01  3.1726500000e+00 -1.1181000000e-02 -8.2846900000e-01  1.7122560000e+00
-ENERGY -1.526608103225e+02
-FORCES -2.6927000000e-03 -2.9010000000e-04 -1.8929000000e-03 -3.3512000000e-03  2.4561000000e-03  3.2173000000e-03  3.8515000000e-03 -2.1986000000e-03  1.1939000000e-03 -7.4700000000e-05  7.6453000000e-03 -7.9938000000e-03 -2.3670000000e-04 -2.0602000000e-03 -1.6853000000e-03  2.5037000000e-03 -5.5525000000e-03  7.1609000000e-03
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4249700000e-01  2.8595100000e-01 -9.0230700000e-01  7.2005900000e-01 -6.0549500000e-01  1.7641500000e-01  1.8766060000e+00 -1.8483080000e+00  7.5036100000e-01  1.7426000000e+00 -2.5133660000e+00  1.4256180000e+00  2.7818090000e+00 -1.9742330000e+00  4.6578700000e-01
-ENERGY -1.526605312815e+02
-FORCES  9.1015000000e-03 -8.4610000000e-03  1.6630000000e-03  9.0190000000e-04 -1.4446000000e-03  2.6571000000e-03 -5.8097000000e-03  6.5299000000e-03 -3.3023000000e-03 -2.6438000000e-03  1.2784000000e-03  6.8010000000e-04  2.7959000000e-03  2.4190000000e-03 -3.4499000000e-03 -4.3458000000e-03 -3.2170000000e-04  1.7519000000e-03
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4150000000e-01 -4.7770200000e-01 -7.9354300000e-01  7.2641200000e-01  6.0607700000e-01  1.4570100000e-01 -9.3720500000e-01 -3.1645460000e+00  3.9881700000e-01 -1.3413190000e+00 -3.7989510000e+00 -1.9317300000e-01 -1.0450160000e+00 -3.5465590000e+00  1.2698360000e+00
-ENERGY -1.526534295985e+02
-FORCES  3.4615000000e-03 -1.9641000000e-03 -2.9887000000e-03 -3.9710000000e-04  3.9177000000e-03  2.0149000000e-03 -3.0184000000e-03 -2.6266000000e-03 -1.3450000000e-04 -2.5659000000e-03 -3.4400000000e-03  2.9661000000e-03  2.1048000000e-03  3.2086000000e-03  1.9526000000e-03  4.1520000000e-04  9.0440000000e-04 -3.8105000000e-03
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9837300000e-01  2.7670400000e-01 -1.8053400000e-01  5.0679000000e-02 -4.4163900000e-01  8.4771400000e-01  2.3276340000e+00  8.4026000000e-01 -4.1404300000e-01  3.1116630000e+00  1.1244520000e+00  5.5814000000e-02  2.2884150000e+00  1.4100770000e+00 -1.1821590000e+00
-ENERGY -1.526540919874e+02
-FORCES  2.4369400000e-02  7.0863000000e-03 -7.9890000000e-04 -4.2038000000e-03  3.4280000000e-04 -4.7260000000e-03  1.1229000000e-03  1.4325000000e-03 -1.6328000000e-03 -1.8487100000e-02 -5.4789000000e-03  6.1577000000e-03 -3.1591000000e-03 -1.6010000000e-04 -4.2835000000e-03  3.5760000000e-04 -3.2226000000e-03  5.2835000000e-03
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1194500000e-01  2.6169400000e-01 -1.2690300000e-01 -2.3992000000e-02 -5.9988900000e-01  7.4551300000e-01 -1.0466600000e+00 -3.3090270000e+00  2.5080300000e-01 -9.4508600000e-01 -4.1030880000e+00 -2.7396400000e-01 -1.0343580000e+00 -3.6170400000e+00  1.1570090000e+00
-ENERGY -1.526551700635e+02
-FORCES -4.8381000000e-03 -4.6859000000e-03  1.6608000000e-03  3.5584000000e-03  3.0840000000e-04  5.6620000000e-04  1.0665000000e-03  4.5586000000e-03 -9.1870000000e-04  7.2610000000e-04 -5.7992000000e-03 -2.9550000000e-04 -8.1500000000e-04  3.0340000000e-03  2.6298000000e-03  3.0200000000e-04  2.5841000000e-03 -3.6426000000e-03
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9645100000e-01 -2.8267600000e-01 -1.8083500000e-01 -1.1410000000e-01  7.8937500000e-01 -5.2924500000e-01  2.5115090000e+00 -7.1701600000e-01 -7.0127900000e-01  3.3073580000e+00 -1.1376610000e+00 -3.7583600000e-01  2.8267280000e+00  8.9560000000e-03 -1.2396400000e+00
-ENERGY -1.526586777720e+02
-FORCES  1.3355700000e-02 -3.4488000000e-03 -3.9677000000e-03 -7.6883000000e-03  4.5720000000e-03  6.9900000000e-05  1.9125000000e-03 -2.2660000000e-03  8.9740000000e-04 -2.5258000000e-03  1.4964000000e-03  2.7169000000e-03 -2.7195000000e-03  3.0194000000e-03 -3.1623000000e-03 -2.3346000000e-03 -3.3731000000e-03  3.4458000000e-03
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7419600000e-01 -4.6715600000e-01 -7.8918500000e-01 -3.7490100000e-01  8.7538700000e-01 -9.6847000000e-02 -2.8124620000e+00 -1.2968270000e+00  3.3606100000e-01 -1.9577000000e+00 -1.7235990000e+00  3.9504100000e-01 -2.7691670000e+00 -7.8332700000e-01 -4.7058300000e-01
-ENERGY -1.526525282571e+02
-FORCES -3.7497000000e-03  3.4366000000e-03 -2.3185000000e-03 -1.3375000000e-03  3.2480000000e-04  4.4918000000e-03  1.8642000000e-03 -4.0004000000e-03 -5.9650000000e-04  7.3269000000e-03  2.3443000000e-03 -9.0610000000e-04 -4.5260000000e-03 -5.2390000000e-04 -2.5253000000e-03  4.2220000000e-04 -1.5814000000e-03  1.8545000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3910000000e-02  7.6260000000e-01 -5.7239200000e-01 -4.9694500000e-01 -6.3432300000e-01 -5.1663500000e-01  2.1397260000e+00 -1.8330930000e+00  8.1921200000e-01  2.9587130000e+00 -1.6427320000e+00  3.6176900000e-01  1.6292470000e+00 -1.0269780000e+00  7.4290300000e-01
-ENERGY -1.526608397451e+02
-FORCES -2.6940000000e-03 -1.2975000000e-03 -4.8200000000e-03 -1.5200000000e-05 -4.0270000000e-03  2.2144000000e-03  2.0462000000e-03  4.2958000000e-03  1.9104000000e-03 -3.7372000000e-03  7.5785000000e-03 -2.9734000000e-03 -2.9518000000e-03 -1.7520000000e-04  1.0772000000e-03  7.3520000000e-03 -6.3746000000e-03  2.5916000000e-03
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3022000000e-02 -5.8141100000e-01 -7.5467900000e-01  2.5143800000e-01 -5.7906300000e-01  7.1951200000e-01 -2.6368800000e-01 -1.7609670000e+00 -1.9142780000e+00 -1.1911210000e+00 -1.9762500000e+00 -1.8155170000e+00 -1.6669800000e-01 -1.5362750000e+00 -2.8396630000e+00
-ENERGY -1.526585635290e+02
-FORCES  7.8310000000e-04 -1.4937600000e-02 -1.4372100000e-02 -2.8584000000e-03  5.7482000000e-03  6.8238000000e-03 -1.4456000000e-03  6.5990000000e-04 -2.2798000000e-03 -5.1770000000e-04  6.9008000000e-03  4.4907000000e-03  5.8654000000e-03  2.8447000000e-03  6.8700000000e-05 -1.8268000000e-03 -1.2161000000e-03  5.2686000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8135900000e-01  5.3403100000e-01  1.4325100000e-01  7.1612700000e-01  6.3265900000e-01 -5.6004000000e-02 -2.6481390000e+00  2.2247100000e-01  6.7805000000e-02 -2.6626430000e+00 -1.2029900000e-01  9.6141000000e-01 -2.8399040000e+00 -5.3623300000e-01 -4.8339900000e-01
-ENERGY -1.526587161500e+02
-FORCES -1.1841500000e-02  3.0014000000e-03 -1.0153000000e-03  9.5110000000e-03 -6.3360000000e-04  3.7902000000e-03 -4.9071000000e-03 -7.3390000000e-04  2.5440000000e-04  6.0379000000e-03 -7.9759000000e-03 -1.8038000000e-03  2.2144000000e-03  2.8993000000e-03 -4.5845000000e-03 -1.0146000000e-03  3.4428000000e-03  3.3590000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8273200000e-01  4.1514400000e-01 -7.7291900000e-01  7.2254000000e-01 -4.9099000000e-01  3.9127500000e-01 -1.2711660000e+00 -1.7413630000e+00 -1.6830440000e+00 -1.3147980000e+00 -2.5550350000e+00 -1.1807840000e+00 -8.6985500000e-01 -1.1111930000e+00 -1.0846560000e+00
-ENERGY -1.526588896079e+02
-FORCES  3.3840000000e-03 -2.3020000000e-03 -2.7341000000e-03 -4.2398000000e-03 -5.5578000000e-03  3.4218000000e-03 -4.4657000000e-03  1.8080000000e-03 -2.8906000000e-03  5.3298000000e-03  7.9107000000e-03  1.3054500000e-02  1.0467000000e-03  2.4493000000e-03 -9.0320000000e-04 -1.0550000000e-03 -4.3082000000e-03 -9.9483000000e-03
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2764300000e-01  2.3010000000e-01  5.2585000000e-02  1.0879700000e-01 -7.0546000000e-01  6.3774700000e-01  2.6230400000e-01 -1.6547130000e+00  2.0199950000e+00  2.4803500000e-01 -1.0449890000e+00  2.7577380000e+00  9.2248100000e-01 -2.3052840000e+00  2.2590670000e+00
-ENERGY -1.526590400015e+02
-FORCES  3.5280000000e-04 -1.3122300000e-02  1.2706400000e-02  2.6699000000e-03 -8.3320000000e-04  1.5744000000e-03 -1.7865000000e-03  7.0012000000e-03 -4.9901000000e-03  1.9053000000e-03  6.6749000000e-03 -5.6205000000e-03  1.4870000000e-04 -3.8632000000e-03 -3.9917000000e-03 -3.2902000000e-03  4.1428000000e-03  3.2160000000e-04
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1891300000e-01 -7.1233300000e-01 -1.6050000000e-01 -2.6428100000e-01  6.8937300000e-01 -6.0922300000e-01  6.0161000000e-01  2.3277880000e+00 -1.4623590000e+00  1.3105000000e-01  2.7495700000e+00 -2.1813200000e+00  7.5497200000e-01  3.0306220000e+00 -8.3090300000e-01
-ENERGY -1.526590045984e+02
-FORCES  4.5620000000e-04  5.9530000000e-03 -5.9377000000e-03  1.8742000000e-03  3.5833000000e-03 -8.5280000000e-04 -4.1973000000e-03 -7.7533000000e-03  5.0600000000e-03  1.8848000000e-03  4.1586000000e-03  1.5916000000e-03  1.3493000000e-03 -3.0093000000e-03  4.1041000000e-03 -1.3673000000e-03 -2.9323000000e-03 -3.9651000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8692600000e-01 -4.8058000000e-01 -4.6196000000e-01 -4.4090900000e-01  7.7625000000e-01  3.4535000000e-01  1.5848320000e+00 -1.7051270000e+00  1.4918020000e+00  1.2454140000e+00 -2.2044350000e+00  2.2345790000e+00  8.0585900000e-01 -1.3405980000e+00  1.0716210000e+00
-ENERGY -1.526587411104e+02
-FORCES -1.0410000000e-03  2.9482000000e-03  7.1270000000e-04  4.1282000000e-03  1.0414000000e-03  4.7871000000e-03  1.2928000000e-03 -4.2482000000e-03 -2.4157000000e-03 -7.0513000000e-03  6.8082000000e-03 -4.5718000000e-03 -4.4060000000e-04  2.6719000000e-03 -3.0915000000e-03  3.1119000000e-03 -9.2215000000e-03  4.5793000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9528400000e-01  8.6732400000e-01 -2.7710700000e-01  7.7010600000e-01 -3.9706000000e-01  4.0683200000e-01 -2.7762410000e+00  8.8340200000e-01  7.1200800000e-01 -1.9142940000e+00  4.7022900000e-01  7.6268400000e-01 -2.7710750000e+00  1.3474810000e+00 -1.2515100000e-01
-ENERGY -1.526599716109e+02
-FORCES  5.5212000000e-03  1.0894000000e-03 -2.1900000000e-05 -2.4536000000e-03 -4.1689000000e-03  1.6095000000e-03 -3.2745000000e-03  2.4705000000e-03 -2.2230000000e-03  7.8482000000e-03 -3.1701000000e-03 -4.4542000000e-03 -7.7138000000e-03  4.1734000000e-03  2.3546000000e-03  7.2500000000e-05 -3.9420000000e-04  2.7351000000e-03
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1936700000e-01 -2.4403700000e-01 -4.3048300000e-01 -5.8257400000e-01 -7.4381200000e-01 -1.5356800000e-01 -6.2605900000e-01  1.3369170000e+00  2.1265740000e+00 -2.2113100000e-01  6.6869800000e-01  1.5736300000e+00  1.0809600000e-01  1.7477860000e+00  2.5831220000e+00
-ENERGY -1.526567682232e+02
-FORCES -2.3232000000e-03  3.4667000000e-03  5.5652000000e-03 -4.6387000000e-03  1.0290000000e-03  2.4556000000e-03  4.2139000000e-03  3.9516000000e-03  1.4547000000e-03  6.2042000000e-03 -8.1018000000e-03 -1.4573100000e-02 -2.5529000000e-03  1.7337000000e-03  8.0336000000e-03 -9.0330000000e-04 -2.0792000000e-03 -2.9361000000e-03
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1348300000e-01  5.1307600000e-01  6.9427400000e-01  5.4299400000e-01 -6.3751300000e-01  4.6364400000e-01 -1.5963850000e+00 -1.5307590000e+00 -1.5303460000e+00 -1.3306520000e+00 -8.9805500000e-01 -8.6303500000e-01 -2.3721560000e+00 -1.1419150000e+00 -1.9343420000e+00
-ENERGY -1.526585540771e+02
-FORCES  1.4547000000e-03 -4.4895000000e-03  2.2300000000e-04  1.6800000000e-05 -4.2330000000e-03 -4.8851000000e-03 -3.6285000000e-03  4.1001000000e-03 -1.6736000000e-03  7.8744000000e-03  9.6614000000e-03  6.7496000000e-03 -8.6910000000e-03 -5.5953000000e-03 -3.1589000000e-03  2.9735000000e-03  5.5640000000e-04  2.7449000000e-03
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6664200000e-01  2.7552100000e-01 -7.2058100000e-01 -7.0429900000e-01 -4.9128200000e-01 -4.2289200000e-01  7.4188700000e-01  7.1929400000e-01 -2.4344140000e+00  5.4174100000e-01  2.1876400000e-01 -3.2253900000e+00  1.5647000000e-02  1.3372720000e+00 -2.3512840000e+00
-ENERGY -1.526563763376e+02
-FORCES  5.1424000000e-03  2.5840000000e-04 -1.8244500000e-02 -2.9761000000e-03  3.6692000000e-03  6.2768000000e-03  3.8270000000e-04  1.7115000000e-03  1.2172000000e-03 -5.4562000000e-03 -3.4975000000e-03  5.7477000000e-03 -8.4130000000e-04  3.1343000000e-03  4.0354000000e-03  3.7485000000e-03 -5.2759000000e-03  9.6740000000e-04
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6765600000e-01  4.0263400000e-01  4.0598300000e-01 -2.8933600000e-01  6.3841200000e-01 -6.5187900000e-01 -1.5346460000e+00  2.3927990000e+00  1.8894560000e+00 -1.7490510000e+00  1.5954290000e+00  2.3736710000e+00 -1.7797390000e+00  2.1975500000e+00  9.8500100000e-01
-ENERGY -1.526555324943e+02
-FORCES  3.6955000000e-03  4.9489000000e-03 -4.3440000000e-04 -2.9605000000e-03 -2.6159000000e-03 -2.3243000000e-03 -4.5900000000e-04 -2.2139000000e-03  3.2552000000e-03 -1.8628000000e-03 -6.7697000000e-03 -1.9373000000e-03  3.7560000000e-04  4.2975000000e-03 -7.2490000000e-04  1.2111000000e-03  2.3532000000e-03  2.1657000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6583800000e-01  2.2494400000e-01  5.2832300000e-01  2.9237600000e-01 -7.2773300000e-01 -5.4877300000e-01 -1.9835000000e-02 -2.1094430000e+00 -1.6441390000e+00  4.7849900000e-01 -2.9141560000e+00 -1.7867330000e+00 -3.3176200000e-01 -1.8628590000e+00 -2.5148450000e+00
-ENERGY -1.526596541333e+02
-FORCES  1.3136000000e-03 -1.0906200000e-02 -7.1143000000e-03 -1.6165000000e-03 -2.6114000000e-03 -2.4921000000e-03  1.1647000000e-03  8.5000000000e-03  5.0209000000e-03 -7.9560000000e-04  3.1525000000e-03  4.3260000000e-04 -2.5200000000e-03  4.2411000000e-03 -3.2400000000e-05  2.4538000000e-03 -2.3760000000e-03  4.1852000000e-03
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8055500000e-01  5.8293000000e-01 -3.3655500000e-01 -3.4608300000e-01 -3.1630900000e-01  8.3451000000e-01  7.3848600000e-01 -1.0156930000e+00 -2.3986460000e+00  4.4824400000e-01 -8.4926100000e-01 -1.5018230000e+00  1.6860500000e+00 -1.1305570000e+00 -2.3268100000e+00
-ENERGY -1.526606446765e+02
-FORCES -1.7145000000e-03 -4.4960000000e-04 -2.8806000000e-03  3.3853000000e-03 -4.6647000000e-03  2.1352000000e-03  1.1897000000e-03  2.4840000000e-03 -4.3304000000e-03 -5.0690000000e-04  4.1492000000e-03  1.4143800000e-02  2.2330000000e-04 -1.6297000000e-03 -9.3131000000e-03 -2.5769000000e-03  1.1090000000e-04  2.4520000000e-04
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4454500000e-01 -1.4633500000e-01 -5.1504000000e-02 -1.8111200000e-01  6.4229300000e-01 -6.8621400000e-01 -4.6328800000e-01  1.6845710000e+00 -2.0556420000e+00 -1.0021560000e+00  2.4713940000e+00 -2.1378740000e+00  4.1696600000e-01  1.9698760000e+00 -2.3005640000e+00
-ENERGY -1.526587067876e+02
-FORCES -2.3298000000e-03  9.3225000000e-03 -1.1911200000e-02 -2.5452000000e-03  1.7907000000e-03 -1.2772000000e-03  4.9203000000e-03 -5.5727000000e-03  6.5704000000e-03  5.3540000000e-04  1.0330000000e-04  4.1514000000e-03  3.9229000000e-03 -3.4938000000e-03 -6.4770000000e-04 -4.5036000000e-03 -2.1499000000e-03  3.1143000000e-03
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7212800000e-01  2.2014800000e-01  5.2113800000e-01  1.5970900000e-01  7.7876700000e-01 -5.3314800000e-01  1.9070580000e+00 -2.0759830000e+00  3.1272700000e-01  2.6956670000e+00 -1.5609660000e+00  1.4218100000e-01  1.2002450000e+00 -1.4310360000e+00  3.3897000000e-01
-ENERGY -1.526606477374e+02
-FORCES  2.0440000000e-04  1.4117000000e-03 -6.8140000000e-04  3.7523000000e-03 -2.1370000000e-04 -3.0636000000e-03 -1.5958000000e-03 -2.9077000000e-03  3.1982000000e-03 -5.6931000000e-03  1.0125200000e-02 -1.5410000000e-03 -2.0264000000e-03 -1.3463000000e-03  7.3600000000e-05  5.3586000000e-03 -7.0692000000e-03  2.0142000000e-03
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0418000000e-02  2.9481500000e-01 -9.0794100000e-01  9.3626000000e-02  8.0616200000e-01  5.0751200000e-01  1.5610170000e+00 -2.0671230000e+00  5.5637300000e-01  1.0285870000e+00 -1.2739270000e+00  4.9646100000e-01  2.4448840000e+00 -1.7808370000e+00  3.2604600000e-01
-ENERGY -1.526587156862e+02
-FORCES  4.8318000000e-03 -4.8704000000e-03 -1.8792000000e-03  3.2820000000e-04  5.2370000000e-04  5.3441000000e-03  8.7180000000e-04 -4.6473000000e-03 -3.3679000000e-03 -8.8522000000e-03  1.4477800000e-02 -4.4951000000e-03  5.7103000000e-03 -5.8235000000e-03  4.1892000000e-03 -2.8899000000e-03  3.3980000000e-04  2.0890000000e-04
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6336900000e-01  5.3153100000e-01  7.5122800000e-01 -9.3475900000e-01  1.7790800000e-01 -1.0395400000e-01  1.1418200000e-01  9.2917000000e-01 -2.7887430000e+00  1.6055400000e-01  2.1813800000e-01 -2.1495910000e+00 -7.1486400000e-01  1.3685000000e+00 -2.5992630000e+00
-ENERGY -1.526561001488e+02
-FORCES -3.8920000000e-04  5.3058000000e-03  2.7292000000e-03 -2.4077000000e-03 -2.6202000000e-03 -2.6655000000e-03  4.7926000000e-03 -3.4440000000e-04 -2.4232000000e-03 -9.2070000000e-04 -2.1872000000e-03  9.5596000000e-03 -3.0330000000e-03  1.4207000000e-03 -6.9777000000e-03  1.9581000000e-03 -1.5747000000e-03 -2.2230000000e-04
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4284000000e-02  5.7544600000e-01 -7.6414600000e-01 -3.0335800000e-01  5.4594900000e-01  7.2535900000e-01 -1.6262590000e+00 -1.8277670000e+00 -1.0401110000e+00 -8.5017700000e-01 -1.4176760000e+00 -6.5833500000e-01 -1.2952010000e+00 -2.3077310000e+00 -1.7992340000e+00
-ENERGY -1.526590106632e+02
-FORCES -8.8066000000e-03 -9.7100000000e-04 -2.1898000000e-03  4.4240000000e-04 -3.6464000000e-03  3.7487000000e-03  2.0259000000e-03 -1.0994000000e-03 -4.2049000000e-03  9.7890000000e-03  8.1991000000e-03  7.0767000000e-03 -4.2936000000e-03 -6.1452000000e-03 -7.0041000000e-03  8.4300000000e-04  3.6629000000e-03  2.5734000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1211500000e-01 -2.1747800000e-01 -1.9230700000e-01 -3.0274000000e-02  9.0251000000e-01  3.1747700000e-01  2.1284600000e-01  2.9957370000e+00 -1.7587460000e+00  7.6573200000e-01  3.4528390000e+00 -1.1250210000e+00 -2.2250000000e-02  3.6664580000e+00 -2.3999120000e+00
-ENERGY -1.526544067729e+02
-FORCES -4.2129000000e-03  4.7677000000e-03 -2.0727000000e-03  3.2915000000e-03 -9.4800000000e-05  1.3840000000e-03  9.1080000000e-04 -4.0468000000e-03  1.2764000000e-03  2.1628000000e-03  4.9022000000e-03 -1.6030000000e-03 -3.1752000000e-03 -2.5403000000e-03 -1.7341000000e-03  1.0229000000e-03 -2.9879000000e-03  2.7494000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2764600000e-01 -6.8340200000e-01 -6.5795200000e-01 -5.0370000000e-02 -4.6076000000e-01  8.3749300000e-01 -1.7833800000e+00  2.0240350000e+00 -6.9181100000e-01 -1.6924320000e+00  2.6329230000e+00  4.1139000000e-02 -1.1475020000e+00  1.3322120000e+00 -5.0940400000e-01
-ENERGY -1.526607785507e+02
-FORCES -3.2597000000e-03 -1.7770000000e-03  1.1913000000e-03 -2.9190000000e-04  4.2236000000e-03  3.9116000000e-03  7.2990000000e-04  1.5318000000e-03 -4.5274000000e-03  9.8296000000e-03 -7.7089000000e-03  6.0814000000e-03 -3.9290000000e-04 -1.9497000000e-03 -1.5295000000e-03 -6.6151000000e-03  5.6801000000e-03 -5.1275000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1317300000e-01 -1.9447500000e-01  2.1101200000e-01  2.8717000000e-02  8.5909500000e-01 -4.2114600000e-01 -2.4011260000e+00  6.6272000000e-01  1.2342090000e+00 -1.4929200000e+00  6.5287900000e-01  9.3205600000e-01 -2.8842160000e+00  1.0924920000e+00  5.2841000000e-01
-ENERGY -1.526565130468e+02
-FORCES  2.4994000000e-03  2.8320000000e-04  5.3280000000e-04 -4.5334000000e-03  1.4061000000e-03 -2.0863000000e-03 -3.7406000000e-03 -3.9727000000e-03  5.5966000000e-03  8.9051000000e-03 -4.1666000000e-03 -5.9637000000e-03 -6.2041000000e-03  7.4084000000e-03  2.9850000000e-04  3.0736000000e-03 -9.5840000000e-04  1.6221000000e-03
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3122000000e-02  6.8952900000e-01  6.6178500000e-01  3.3903900000e-01  4.4074400000e-01 -7.7912100000e-01  3.9180000000e-03  1.5741120000e+00  2.1945820000e+00  2.5871700000e-01  9.9698000000e-01  2.9144620000e+00 -7.5828200000e-01  2.0489600000e+00  2.5259450000e+00
-ENERGY -1.526611856128e+02
-FORCES  6.2370000000e-04  9.9541000000e-03  1.0287100000e-02  7.4000000000e-05 -5.9981000000e-03 -8.6674000000e-03 -1.1619000000e-03  7.3100000000e-05  3.2068000000e-03 -1.2282000000e-03 -5.1147000000e-03 -7.1370000000e-04 -2.3023000000e-03  3.9284000000e-03 -2.9741000000e-03  3.9946000000e-03 -2.8429000000e-03 -1.1387000000e-03
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9176800000e-01 -2.6970500000e-01  2.1964000000e-01  5.0693300000e-01 -8.1179500000e-01  1.5502000000e-02  1.8153300000e-01  2.1636760000e+00  1.8156260000e+00  3.3122500000e-01  1.6824680000e+00  1.0018310000e+00  9.5049900000e-01  2.7263870000e+00  1.9066110000e+00
-ENERGY -1.526608238712e+02
-FORCES -1.6375000000e-03 -3.2656000000e-03  4.2680000000e-03  4.6245000000e-03  4.9590000000e-04 -1.6975000000e-03 -2.9191000000e-03  2.9872000000e-03 -3.6310000000e-04  2.0529000000e-03 -5.7856000000e-03 -6.7402000000e-03 -2.6150000000e-04  8.4922000000e-03  5.6915000000e-03 -1.8593000000e-03 -2.9240000000e-03 -1.1587000000e-03
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9236100000e-01 -8.0283400000e-01 -3.4313500000e-01  6.8052500000e-01  3.8175600000e-01  5.5441800000e-01 -7.3235000000e-02 -2.4573570000e+00 -1.6824790000e+00  6.7957400000e-01 -3.0415600000e+00 -1.5918310000e+00  1.6241000000e-02 -2.0849620000e+00 -2.5597170000e+00
-ENERGY -1.526586164827e+02
-FORCES  1.6569000000e-03 -5.8802000000e-03 -1.9052000000e-03  2.5992000000e-03  8.1922000000e-03  5.0434000000e-03 -1.9279000000e-03 -2.6103000000e-03 -2.6033000000e-03  1.3080000000e-04 -2.2863000000e-03 -6.0522000000e-03 -2.9351000000e-03  4.7383000000e-03  8.0240000000e-04  4.7610000000e-04 -2.1537000000e-03  4.7149000000e-03
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9997300000e-01 -5.1736300000e-01 -3.9825200000e-01  5.8946400000e-01 -6.4909100000e-01  3.8398500000e-01  3.1102380000e+00  8.4367200000e-01  5.1042200000e-01  2.9852840000e+00  5.8768600000e-01  1.4242540000e+00  3.2198650000e+00  1.6038000000e-02  4.2196000000e-02
-ENERGY -1.526516640911e+02
-FORCES  2.2250000000e-04 -3.9087000000e-03  2.0650000000e-04  3.5283000000e-03  2.5103000000e-03  1.4893000000e-03 -2.1258000000e-03  1.5199000000e-03 -1.2064000000e-03 -6.7150000000e-04 -2.7955000000e-03  9.2090000000e-04  1.1670000000e-04  6.5900000000e-05 -4.2092000000e-03 -1.0701000000e-03  2.6081000000e-03  2.7989000000e-03
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1500000000e-04 -4.7279700000e-01  8.3228300000e-01  9.0610200000e-01  2.8683700000e-01 -1.1373200000e-01  1.3382470000e+00  2.3231910000e+00 -2.7279070000e+00  1.2893760000e+00  2.8914890000e+00 -3.4965950000e+00  5.4588500000e-01  1.7881690000e+00 -2.7742360000e+00
-ENERGY -1.526566268132e+02
-FORCES  4.0995000000e-03 -5.2570000000e-04  3.5912000000e-03  1.2250000000e-04  1.8698000000e-03 -3.2277000000e-03 -4.5940000000e-03 -2.1335000000e-03  6.0670000000e-04 -4.0943000000e-03  4.9400000000e-04 -3.6208000000e-03  8.6900000000e-05 -2.2807000000e-03  2.9470000000e-03  4.3794000000e-03  2.5760000000e-03 -2.9650000000e-04
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2228200000e-01 -6.1186900000e-01  6.6180200000e-01  6.6507400000e-01  5.1690000000e-01  4.5466800000e-01 -1.2879080000e+00  1.5157290000e+00 -1.8614320000e+00 -1.0401190000e+00  1.0259130000e+00 -1.0772680000e+00 -1.5130360000e+00  2.3881560000e+00 -1.5382890000e+00
-ENERGY -1.526597917771e+02
-FORCES  7.2330000000e-04  1.6290000000e-03 -5.9800000000e-05  2.0439000000e-03  3.8791000000e-03 -2.9897000000e-03 -4.4547000000e-03 -2.6431000000e-03 -1.4323000000e-03  5.0708000000e-03 -6.6077000000e-03  9.8534000000e-03 -5.1694000000e-03  6.8831000000e-03 -5.7882000000e-03  1.7861000000e-03 -3.1404000000e-03  4.1660000000e-04
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6060000000e-02 -7.5539900000e-01  5.8607400000e-01 -8.9203800000e-01  3.4680500000e-01 -1.5062000000e-02  2.8074080000e+00 -2.0739490000e+00  2.4220900000e-01  3.4335800000e+00 -2.7890290000e+00  3.5535100000e-01  1.9909710000e+00 -2.5070540000e+00 -6.9540000000e-03
-ENERGY -1.526531479673e+02
-FORCES -3.3988000000e-03 -7.7430000000e-04  3.2815000000e-03 -4.1440000000e-04  1.8665000000e-03 -3.6834000000e-03  3.9664000000e-03 -1.4020000000e-03  5.3000000000e-06 -1.8800000000e-04 -4.5393000000e-03 -1.8210000000e-03 -2.6293000000e-03  3.2284000000e-03 -5.3290000000e-04  2.6639000000e-03  1.6207000000e-03  2.7506000000e-03
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2881400000e-01  7.2018600000e-01 -4.6436000000e-02  8.5612900000e-01  4.2803500000e-01 -7.8650000000e-03  2.7510540000e+00 -5.1910000000e-03 -2.1716400000e-01  2.7622670000e+00 -4.5942600000e-01 -1.0596460000e+00  2.7394700000e+00 -7.0694700000e-01  4.3370900000e-01
-ENERGY -1.526610371771e+02
-FORCES  9.4914000000e-03  3.0662000000e-03 -6.8930000000e-04  4.0755000000e-03 -1.4891000000e-03 -2.9830000000e-04 -1.0592400000e-02 -1.0582000000e-03  1.4963000000e-03 -2.8061000000e-03 -7.1305000000e-03 -1.3441000000e-03  1.8440000000e-04  2.4131000000e-03  4.2359000000e-03 -3.5280000000e-04  4.1985000000e-03 -3.4005000000e-03
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5845400000e-01  6.4374500000e-01 -6.9044700000e-01 -9.4217600000e-01 -1.6479000000e-01 -3.7162000000e-02  1.9759840000e+00 -1.7834780000e+00  5.4055900000e-01  1.3067580000e+00 -1.1199730000e+00  3.7284300000e-01  1.6582520000e+00 -2.5646340000e+00  8.7708000000e-02
-ENERGY -1.526601849709e+02
-FORCES  1.8365000000e-03 -3.4368000000e-03 -4.5040000000e-04 -1.9093000000e-03 -3.6555000000e-03  3.3342000000e-03  4.4975000000e-03  1.7566000000e-03 -1.2777000000e-03 -1.2301800000e-02  7.8179000000e-03 -4.0128000000e-03  7.5763000000e-03 -4.5963000000e-03  1.2561000000e-03  3.0080000000e-04  2.1141000000e-03  1.1506000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8053500000e-01 -5.9314400000e-01 -6.9693100000e-01 -1.9019200000e-01 -5.7427100000e-01  7.4180300000e-01 -1.5075240000e+00 -3.0227930000e+00  2.1859000000e-01 -1.5512030000e+00 -3.5135970000e+00  1.0392210000e+00 -5.7511400000e-01 -2.8456520000e+00  9.4237000000e-02
-ENERGY -1.526525692616e+02
-FORCES -2.5352000000e-03 -4.5679000000e-03 -2.4380000000e-04 -3.4490000000e-04  1.1165000000e-03  3.7727000000e-03  3.3627000000e-03  1.6596000000e-03 -2.9732000000e-03  2.6092000000e-03 -3.0955000000e-03  2.2415000000e-03  3.8540000000e-04  2.9953000000e-03 -3.6108000000e-03 -3.4772000000e-03  1.8920000000e-03  8.1360000000e-04
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2787400000e-01 -9.1867000000e-02  4.7161100000e-01 -6.2156200000e-01  3.0122100000e-01  6.6269000000e-01  2.3356730000e+00 -2.1502700000e-01  1.1290590000e+00  2.7604070000e+00  2.8252800000e-01  1.8278240000e+00  3.0110120000e+00 -3.0991600000e-01  4.5738500000e-01
-ENERGY -1.526582610757e+02
-FORCES  1.6277500000e-02 -9.6830000000e-04  1.0711400000e-02 -6.2233000000e-03 -5.8980000000e-04 -5.1999000000e-03  2.8660000000e-03 -4.5790000000e-04 -6.2700000000e-04 -8.9769000000e-03  3.5904000000e-03 -5.3616000000e-03 -7.4070000000e-04 -2.8135000000e-03 -4.0453000000e-03 -3.2025000000e-03  1.2390000000e-03  4.5225000000e-03
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7679100000e-01 -4.7986600000e-01 -4.7740500000e-01  7.9167000000e-01 -1.1491000000e-01 -5.2562900000e-01  2.5742500000e+00  2.0332300000e-01 -7.7847200000e-01  2.7513660000e+00  8.6727500000e-01 -1.1211600000e-01  2.6417200000e+00  6.7342600000e-01 -1.6095460000e+00
-ENERGY -1.526601650565e+02
-FORCES  1.2414700000e-02 -1.2773000000e-03 -4.5343000000e-03  4.1892000000e-03  1.4291000000e-03 -3.0970000000e-04 -1.1281000000e-02  6.2870000000e-04  1.3515000000e-03 -2.4529000000e-03  5.1963000000e-03  3.7524000000e-03 -4.8050000000e-04 -3.2646000000e-03 -4.6848000000e-03 -2.3895000000e-03 -2.7121000000e-03  4.4250000000e-03
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8635400000e-01  4.9777300000e-01  4.4426600000e-01 -7.5529700000e-01  5.7678000000e-02  5.8517700000e-01 -5.4026000000e-02 -1.9180160000e+00 -2.0539350000e+00  1.2993100000e-01 -1.6659000000e+00 -2.9588270000e+00  6.0578000000e-02 -1.1110980000e+00 -1.5519580000e+00
-ENERGY -1.526611070983e+02
-FORCES -1.0009000000e-03 -1.3338000000e-03  2.2352000000e-03 -3.8827000000e-03 -1.8145000000e-03 -1.3392000000e-03  4.4050000000e-03  1.0428000000e-03 -1.5938000000e-03  7.9630000000e-04  7.6408000000e-03  5.3572000000e-03 -1.7700000000e-04  3.7530000000e-04  3.5538000000e-03 -1.4070000000e-04 -5.9106000000e-03 -8.2133000000e-03
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6599800000e-01  3.1896000000e-02 -9.1894500000e-01  4.2440200000e-01  8.4359400000e-01  1.5641100000e-01  5.6465100000e-01  2.4839870000e+00  1.3568150000e+00  1.2945430000e+00  2.8114660000e+00  1.8824070000e+00 -9.3761000000e-02  2.2191110000e+00  1.9991290000e+00
-ENERGY -1.526617616345e+02
-FORCES  2.6350000000e-03  7.8736000000e-03  1.8280000000e-04  1.1161000000e-03  7.2940000000e-04  3.1572000000e-03 -3.2369000000e-03 -8.6983000000e-03 -4.0499000000e-03 -8.5280000000e-04 -4.4700000000e-04  5.3377000000e-03 -3.8128000000e-03 -1.5357000000e-03 -1.7693000000e-03  4.1514000000e-03  2.0780000000e-03 -2.8584000000e-03
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1466300000e-01 -5.6007200000e-01  5.8109700000e-01 -7.4932300000e-01  2.7157300000e-01  5.3009000000e-01 -1.3004500000e-01  2.6104180000e+00  1.8940110000e+00 -8.0405200000e-01  3.1070210000e+00  1.4299730000e+00  3.0783800000e-01  3.2581500000e+00  2.4462190000e+00
-ENERGY -1.526547271898e+02
-FORCES  2.3600000000e-04  2.0092000000e-03  7.4704000000e-03 -1.7695000000e-03  8.8780000000e-04 -2.8183000000e-03  7.5420000000e-04 -2.5184000000e-03 -3.9518000000e-03  3.9090000000e-04  5.3346000000e-03 -6.8410000000e-04  2.1264000000e-03 -2.9413000000e-03  2.4215000000e-03 -1.7379000000e-03 -2.7719000000e-03 -2.4377000000e-03
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4294200000e-01  3.3008800000e-01 -7.1588200000e-01  7.4563800000e-01 -4.1333600000e-01 -4.3521100000e-01  1.3680970000e+00 -3.4837420000e+00 -4.1771400000e-01  2.0180180000e+00 -2.8610740000e+00 -9.1956000000e-02  1.7602940000e+00 -3.8465100000e+00 -1.2119510000e+00
-ENERGY -1.526535404146e+02
-FORCES -1.7930000000e-04 -1.9560000000e-03 -5.2559000000e-03  2.2440000000e-03 -8.5200000000e-04  2.9324000000e-03 -1.3292000000e-03  2.7833000000e-03  2.3603000000e-03  4.5052000000e-03 -6.8770000000e-04 -7.8090000000e-04 -3.2991000000e-03 -1.3447000000e-03 -2.5712000000e-03 -1.9416000000e-03  2.0570000000e-03  3.3152000000e-03
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9728000000e-01  3.0734200000e-01  8.1482600000e-01  6.0381200000e-01 -6.9073000000e-01  2.7301100000e-01 -1.3770530000e+00 -2.2207900000e+00 -1.4579680000e+00 -1.7860470000e+00 -1.6931100000e+00 -2.1439050000e+00 -7.6274800000e-01 -1.6241260000e+00 -1.0303540000e+00
-ENERGY -1.526586897422e+02
-FORCES -3.7200000000e-04  7.1080000000e-04  6.3663000000e-03  2.8528000000e-03 -1.1581000000e-03 -3.6735000000e-03 -6.1040000000e-03  1.2799000000e-03 -4.0618000000e-03  1.8589000000e-03  1.0302200000e-02  1.2414000000e-03  6.4540000000e-04 -2.4563000000e-03  1.7484000000e-03  1.1189000000e-03 -8.6784000000e-03 -1.6207000000e-03
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3044200000e-01 -2.0649300000e-01 -8.8713000000e-02 -5.8832000000e-02  4.9676900000e-01  8.1608300000e-01  4.6078500000e-01  7.4027000000e-01  2.6889940000e+00 -1.7191200000e-01  6.9449900000e-01  3.4058150000e+00  1.0875600000e+00  4.1711000000e-02  2.8771430000e+00
-ENERGY -1.526595295252e+02
-FORCES  4.1734000000e-03  4.2337000000e-03  1.1212400000e-02 -2.4131000000e-03 -3.5730000000e-04  5.9420000000e-04 -1.9341000000e-03 -2.1637000000e-03 -8.5058000000e-03 -3.8790000000e-04 -5.0659000000e-03  1.1996000000e-03  3.3582000000e-03 -2.8480000000e-04 -3.3919000000e-03 -2.7964000000e-03  3.6380000000e-03 -1.1086000000e-03
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4251300000e-01  5.6801100000e-01  7.3128800000e-01  5.0987400000e-01 -7.9843800000e-01  1.3695700000e-01 -3.2382640000e+00 -1.6565600000e-01 -2.0172000000e-02 -3.9655760000e+00 -7.4483600000e-01 -2.4777000000e-01 -2.4864910000e+00 -7.5047500000e-01  7.4989000000e-02
-ENERGY -1.526566271838e+02
-FORCES  4.9891000000e-03  2.0413000000e-03  3.4724000000e-03 -4.0730000000e-04 -3.0990000000e-03 -3.2600000000e-03 -3.7810000000e-03  2.9378000000e-03 -5.3520000000e-04  3.0592000000e-03 -3.5917000000e-03 -1.0945000000e-03  3.3165000000e-03  1.9778000000e-03  8.0710000000e-04 -7.1766000000e-03 -2.6610000000e-04  6.1020000000e-04
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0554000000e-01  2.8519500000e-01 -4.3127900000e-01 -2.9044900000e-01 -6.3331100000e-01  6.5634400000e-01 -3.4608700000e-01 -2.0365940000e+00  1.7746060000e+00  4.8653400000e-01 -2.5079660000e+00  1.8025790000e+00 -1.0076000000e+00 -2.7229130000e+00  1.6874360000e+00
-ENERGY -1.526606291899e+02
-FORCES -3.9203000000e-03 -9.6917000000e-03  8.8321000000e-03  1.5491000000e-03 -2.2653000000e-03  2.0847000000e-03  1.1665000000e-03  7.9761000000e-03 -6.7902000000e-03  2.7184000000e-03 -3.9910000000e-04 -4.5745000000e-03 -5.1586000000e-03  1.3018000000e-03  2.3330000000e-04  3.6450000000e-03  3.0782000000e-03  2.1450000000e-04
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1864600000e-01 -4.7920000000e-02  2.6462100000e-01  1.1397800000e-01  8.9851200000e-01 -3.0970400000e-01 -2.5643880000e+00  1.0873400000e-01  6.1363000000e-01 -2.6145140000e+00  7.8113600000e-01 -6.5777000000e-02 -2.7316410000e+00  5.7957300000e-01  1.4300670000e+00
-ENERGY -1.526557366813e+02
-FORCES -1.8622500000e-02  8.0670000000e-04  5.8464000000e-03  7.8364000000e-03  3.8791000000e-03 -5.6833000000e-03 -2.9501000000e-03 -2.2315000000e-03  9.6420000000e-04  6.5909000000e-03  3.1924000000e-03 -2.1850000000e-04  5.5745000000e-03 -3.9549000000e-03  4.6012000000e-03  1.5707000000e-03 -1.6918000000e-03 -5.5099000000e-03
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5484000000e-01 -7.3457000000e-01  5.0072600000e-01 -6.9056700000e-01 -3.8745700000e-01 -5.3779800000e-01 -4.3566800000e-01  2.3118920000e+00  1.5697000000e+00 -1.2037250000e+00  2.8410300000e+00  1.3544500000e+00 -4.0728700000e-01  1.6413290000e+00  8.8722500000e-01
-ENERGY -1.526609382854e+02
-FORCES -2.0910000000e-04 -3.3846000000e-03  2.9874000000e-03 -2.2587000000e-03  2.4280000000e-03 -3.7631000000e-03  3.0026000000e-03  2.1266000000e-03  3.1387000000e-03  3.3220000000e-04 -7.6031000000e-03 -6.9468000000e-03  2.0783000000e-03 -2.8240000000e-03 -4.0350000000e-04 -2.9454000000e-03  9.2571000000e-03  4.9873000000e-03
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2864700000e-01 -8.4621300000e-01  1.2813000000e-01 -1.7119300000e-01  4.8079600000e-01  8.0979000000e-01  6.4180000000e-02  2.3596910000e+00 -1.3257550000e+00 -5.1098800000e-01  2.5827090000e+00 -2.0576540000e+00 -2.1738800000e-01  1.4851780000e+00 -1.0570940000e+00
-ENERGY -1.526598098312e+02
-FORCES -4.0800000000e-04  1.5162000000e-03  1.8358000000e-03  2.0016000000e-03  4.4513000000e-03  2.8190000000e-04 -5.5800000000e-04 -2.6057000000e-03 -5.9992000000e-03 -1.2225000000e-03 -1.1152400000e-02  2.2542000000e-03  1.2794000000e-03 -2.4058000000e-03  2.5545000000e-03 -1.0925000000e-03  1.0196400000e-02 -9.2720000000e-04
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5645700000e-01  4.1104600000e-01  1.1727800000e-01  5.5969900000e-01  7.0202200000e-01 -3.3186500000e-01 -2.3974030000e+00  8.8452100000e-01  9.9071700000e-01 -2.8316710000e+00  2.9701800000e-01  1.6091690000e+00 -3.1142580000e+00  1.3279520000e+00  5.3715500000e-01
-ENERGY -1.526605083314e+02
-FORCES -9.9996000000e-03  5.8837000000e-03  4.3360000000e-03  8.3425000000e-03 -2.2121000000e-03 -5.2232000000e-03 -2.9568000000e-03 -1.2817000000e-03  9.4500000000e-04  5.2840000000e-04 -3.9098000000e-03  1.0362000000e-03  2.9190000000e-04  3.9912000000e-03 -3.3035000000e-03  3.7936000000e-03 -2.4713000000e-03  2.2095000000e-03
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2084100000e-01  2.3050300000e-01 -1.2309200000e-01  2.5010100000e-01  4.3721500000e-01  8.1395600000e-01 -2.2292900000e-01 -1.0703490000e+00 -3.6204330000e+00  2.5525400000e-01 -4.2183300000e-01 -3.1037130000e+00  3.3766100000e-01 -1.8461480000e+00 -3.6101020000e+00
-ENERGY -1.526567187108e+02
-FORCES -3.4776000000e-03  2.3975000000e-03  3.9050000000e-03  4.4140000000e-03 -3.7740000000e-04  7.3230000000e-04 -1.1797000000e-03 -1.8614000000e-03 -3.3902000000e-03  4.8504000000e-03 -5.9120000000e-04  3.6797000000e-03 -2.4302000000e-03 -2.3533000000e-03 -4.1604000000e-03 -2.1768000000e-03  2.7858000000e-03 -7.6640000000e-04
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2753000000e-02  7.6402900000e-01  5.6911200000e-01  2.1189700000e-01 -7.4516000000e-01  5.6219900000e-01  2.5358830000e+00 -1.2601700000e-01 -6.6448800000e-01  1.5797430000e+00 -1.0490900000e-01 -6.2469800000e-01  2.8126370000e+00  6.6921000000e-01 -2.0923600000e-01
-ENERGY -1.526554858600e+02
-FORCES  9.9582000000e-03  1.1320000000e-04  3.3669000000e-03  2.1036000000e-03 -4.2525000000e-03 -3.8129000000e-03  1.7273000000e-03  5.3660000000e-03 -5.3242000000e-03 -2.0531400000e-02  4.4615000000e-03  3.2963000000e-03  8.9948000000e-03 -3.5670000000e-03  2.5701000000e-03 -2.2526000000e-03 -2.1211000000e-03 -9.6200000000e-05
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7551700000e-01 -3.3618200000e-01 -1.9153000000e-01  4.1226800000e-01 -6.8799600000e-01  5.2242500000e-01 -1.9566920000e+00 -1.7691730000e+00 -5.5533700000e-01 -2.7688880000e+00 -1.2658210000e+00 -6.1194800000e-01 -2.1358780000e+00 -2.4406470000e+00  1.0287800000e-01
-ENERGY -1.526558304117e+02
-FORCES -1.0302500000e-02 -1.5226200000e-02 -2.4081000000e-03 -3.7880000000e-04  8.6278000000e-03  6.1310000000e-04  1.2840000000e-04  2.1890000000e-03 -2.4600000000e-04  2.2831000000e-03  9.7910000000e-04  3.6995000000e-03  7.2322000000e-03 -3.2490000000e-04  1.7587000000e-03  1.0377000000e-03  3.7552000000e-03 -3.4172000000e-03
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0344700000e-01 -1.8457900000e-01  4.8645100000e-01  4.8115200000e-01 -8.2743700000e-01  8.5050000000e-03  1.6391820000e+00 -2.2110750000e+00  2.8738000000e-02  2.3815720000e+00 -2.1028760000e+00  6.2319800000e-01  1.2002560000e+00 -3.0046960000e+00  3.3491000000e-01
-ENERGY -1.526602894494e+02
-FORCES  6.9840000000e-03 -1.1729200000e-02  5.5260000000e-04  3.0344000000e-03 -1.0813000000e-03 -1.2125000000e-03 -7.8368000000e-03  7.9062000000e-03  9.3180000000e-04  6.4840000000e-04  1.2550000000e-03  3.1859000000e-03 -4.3376000000e-03 -1.7175000000e-03 -2.7638000000e-03  1.5075000000e-03  5.3668000000e-03 -6.9400000000e-04
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1598000000e-02 -7.1930200000e-01  6.2485700000e-01 -4.3850000000e-01  7.4000000000e-01  4.1993900000e-01  6.8643200000e-01  3.1341600000e+00 -1.4220150000e+00 -2.5395000000e-02  2.5592730000e+00 -1.7031560000e+00  1.0802000000e+00  3.4448690000e+00 -2.2372680000e+00
-ENERGY -1.526550125140e+02
-FORCES -1.0050000000e-03  2.5410000000e-04  5.4010000000e-03  4.9860000000e-04  2.9822000000e-03 -2.4962000000e-03  4.9610000000e-04 -3.6334000000e-03 -2.9007000000e-03 -2.3650000000e-04 -2.5324000000e-03 -5.1952000000e-03  1.8616000000e-03  3.8692000000e-03  2.0285000000e-03 -1.6148000000e-03 -9.3960000000e-04  3.1625000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3700000000e-02 -9.3082400000e-01 -2.1063400000e-01 -6.6883500000e-01  3.2964600000e-01 -6.0018800000e-01 -2.2411110000e+00  5.6877900000e-01 -1.6454360000e+00 -2.5323180000e+00  1.1863370000e+00 -2.3162950000e+00 -3.0507780000e+00  2.2831500000e-01 -1.2649690000e+00
-ENERGY -1.526613896517e+02
-FORCES -7.8649000000e-03  2.1240000000e-04 -8.0901000000e-03 -5.0030000000e-04  2.3894000000e-03  1.0680000000e-03  6.8630000000e-03 -1.9838000000e-03  5.8085000000e-03 -1.9284000000e-03  8.9530000000e-04  8.0520000000e-04 -5.5500000000e-05 -3.3786000000e-03  3.3482000000e-03  3.4861000000e-03  1.8652000000e-03 -2.9398000000e-03
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5457700000e-01 -4.1465200000e-01 -1.1829600000e-01  4.0735700000e-01 -3.8677000000e-02 -8.6533000000e-01  2.6362260000e+00  2.7278800000e-01  2.3287160000e+00  3.3929700000e+00  8.0367700000e-01  2.0802670000e+00  2.5893680000e+00 -4.0749200000e-01  1.6569600000e+00
-ENERGY -1.526537929002e+02
-FORCES -3.3658000000e-03 -1.0261000000e-03 -3.9416000000e-03  3.8015000000e-03  1.8108000000e-03  4.0820000000e-04 -8.4000000000e-04 -2.2050000000e-04  4.1788000000e-03  6.3040000000e-04 -6.7100000000e-04 -4.7795000000e-03 -2.9005000000e-03 -2.0692000000e-03  8.5300000000e-04  2.6743000000e-03  2.1760000000e-03  3.2811000000e-03
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3901200000e-01 -1.3213400000e-01  1.3049700000e-01  6.3536000000e-02  4.6073900000e-01 -8.3660900000e-01  1.7529200000e+00 -2.0384630000e+00  1.1963500000e-01  1.1661630000e+00 -1.2932180000e+00  2.4831200000e-01  2.6032080000e+00 -1.7315920000e+00  4.3439300000e-01
-ENERGY -1.526606594282e+02
-FORCES  1.8304000000e-03 -5.1403000000e-03 -3.3636000000e-03  4.5125000000e-03  1.3612000000e-03 -1.7356000000e-03 -1.5190000000e-03 -1.6449000000e-03  4.5001000000e-03 -8.7609000000e-03  1.1839800000e-02  8.0220000000e-04  7.0720000000e-03 -7.0802000000e-03  1.1062000000e-03 -3.1350000000e-03  6.6430000000e-04 -1.3093000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8344600000e-01  2.0032700000e-01 -3.0923200000e-01 -2.4248700000e-01  7.5349100000e-01  5.3822300000e-01  2.6482380000e+00  7.1086000000e-01 -3.5142100000e-01  3.2219660000e+00  1.0797770000e+00  3.2012100000e-01  2.7753500000e+00  1.2766960000e+00 -1.1129350000e+00
-ENERGY -1.526593749733e+02
-FORCES  1.3177300000e-02  5.5149000000e-03  7.4840000000e-04 -8.4030000000e-03 -1.6043000000e-03 -2.9270000000e-03  3.5540000000e-04 -1.8984000000e-03 -1.2166000000e-03 -1.1037000000e-03  1.2514000000e-03  3.1858000000e-03 -2.0345000000e-03 -5.3170000000e-04 -4.4456000000e-03 -1.9915000000e-03 -2.7318000000e-03  4.6550000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2752700000e-01 -1.6433900000e-01  1.7005200000e-01  1.5874100000e-01 -3.8837000000e-01 -8.6035000000e-01  1.0083480000e+00  2.1427280000e+00  3.3602070000e+00  1.0124040000e+00  2.8490710000e+00  4.0061900000e+00  1.4537670000e+00  1.4162480000e+00  3.7961650000e+00
-ENERGY -1.526532046785e+02
-FORCES -3.4820000000e-03 -1.5814000000e-03 -2.5029000000e-03  3.7896000000e-03  2.2720000000e-04 -9.7970000000e-04 -4.9870000000e-04  1.6027000000e-03  3.6112000000e-03  2.2279000000e-03 -6.4650000000e-04  3.8975000000e-03 -1.6230000000e-04 -2.8489000000e-03 -2.7975000000e-03 -1.8745000000e-03  3.2469000000e-03 -1.2286000000e-03
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8000000000e-01 -3.7514200000e-01  3.3181000000e-02  1.1016100000e-01  2.7338000000e-01 -9.1069200000e-01 -2.1442750000e+00 -1.4942990000e+00 -1.2793070000e+00 -2.8483350000e+00 -1.6319900000e+00 -1.9130040000e+00 -1.8715630000e+00 -2.3767580000e+00 -1.0280570000e+00
-ENERGY -1.526594288419e+02
-FORCES -7.9110000000e-03 -2.3596000000e-03 -7.5871000000e-03  5.1100000000e-03  5.9860000000e-04  4.5317000000e-03  1.8841000000e-03  5.4080000000e-04  2.9872000000e-03 -1.0053000000e-03 -3.2737000000e-03 -1.5438000000e-03  3.8639000000e-03 -2.7360000000e-04  2.3443000000e-03 -1.9417000000e-03  4.7675000000e-03 -7.3230000000e-04
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6638800000e-01 -1.4989500000e-01 -5.5354500000e-01 -8.2207000000e-02  9.1097800000e-01  2.8212200000e-01 -9.1638000000e-02 -1.5389490000e+00  2.2265240000e+00 -4.8919200000e-01 -2.2886350000e+00  1.7836320000e+00 -1.6760000000e-03 -8.7588300000e-01  1.5420660000e+00
-ENERGY -1.526585570239e+02
-FORCES -4.0758000000e-03 -1.8093000000e-03  2.6134000000e-03  3.9850000000e-03  9.3550000000e-04  3.1865000000e-03 -1.5000000000e-04 -6.4732000000e-03  1.1040000000e-04  4.3640000000e-04  6.8901000000e-03 -1.6416900000e-02  3.2530000000e-04  1.8004000000e-03  1.0961000000e-03 -5.2080000000e-04 -1.3436000000e-03  9.4105000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6924000000e-02 -6.3133100000e-01 -7.1794900000e-01  9.0653000000e-01  1.0131200000e-01  2.9012100000e-01 -2.6622250000e+00 -2.1110000000e-01  7.3527300000e-01 -1.7866690000e+00 -3.0357400000e-01  3.5966500000e-01 -3.1577330000e+00  2.7087100000e-01  7.3149000000e-02
-ENERGY -1.526577897838e+02
-FORCES  1.4148000000e-03 -2.0830000000e-04  3.1882000000e-03 -3.2217000000e-03  3.3034000000e-03  4.9528000000e-03 -3.4072000000e-03 -9.1830000000e-04 -3.3172000000e-03  1.0440500000e-02  3.8514000000e-03 -2.9629000000e-03 -7.4640000000e-03 -4.1932000000e-03 -3.2914000000e-03  2.2376000000e-03 -1.8349000000e-03  1.4303000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5162600000e-01  6.6098700000e-01 -4.1837500000e-01  5.6976200000e-01 -4.1186700000e-01  6.4959100000e-01  2.8252610000e+00 -1.2434280000e+00  5.4055000000e-02  3.3170500000e+00 -2.0431510000e+00  2.4065000000e-01  2.9373850000e+00 -7.0451800000e-01  8.3714900000e-01
-ENERGY -1.526542932553e+02
-FORCES  8.3246000000e-03 -2.4747000000e-03 -1.7299000000e-03 -2.9441000000e-03 -8.6910000000e-04  2.3780000000e-03 -3.0439000000e-03  3.8494000000e-03  1.3767000000e-03  3.9305000000e-03 -2.4398000000e-03  2.4120000000e-03 -2.3454000000e-03  3.8883000000e-03 -6.7300000000e-04 -3.9218000000e-03 -1.9541000000e-03 -3.7638000000e-03
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8040600000e-01  5.6718500000e-01 -5.0760400000e-01  8.3592500000e-01  4.6600100000e-01  1.7432000000e-02 -5.9781500000e-01 -1.7064010000e+00  1.8296340000e+00  3.0831000000e-01 -2.0120820000e+00  1.7880470000e+00 -6.6982800000e-01 -1.0714280000e+00  1.1169940000e+00
-ENERGY -1.526553270477e+02
-FORCES -2.8590000000e-04 -6.8255000000e-03  1.1229900000e-02  3.1360000000e-03 -2.9978000000e-03  3.7513000000e-03 -4.4207000000e-03 -1.7128000000e-03 -1.8968000000e-03  8.1605000000e-03  1.3394000000e-02 -1.5993100000e-02 -1.2798000000e-03  5.2450000000e-04  1.2189000000e-03 -5.3101000000e-03 -2.3823000000e-03  1.6898000000e-03
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0582400000e-01  6.2860100000e-01  3.9251700000e-01  6.2068400000e-01  5.3897400000e-01 -4.9039800000e-01  1.5463160000e+00 -1.6644890000e+00  2.0185080000e+00  1.2356640000e+00 -2.0201420000e+00  2.8511170000e+00  9.5889700000e-01 -9.3090100000e-01  1.8367950000e+00
-ENERGY -1.526577895709e+02
-FORCES  2.6710000000e-04  4.4406000000e-03 -4.7128000000e-03  3.9423000000e-03 -3.8917000000e-03  7.9700000000e-05 -3.5172000000e-03 -2.0798000000e-03  2.6909000000e-03 -5.3340000000e-03  2.8906000000e-03 -2.0270000000e-03  3.4520000000e-04  1.9147000000e-03 -3.2980000000e-03  4.2966000000e-03 -3.2744000000e-03  7.2672000000e-03
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4838100000e-01 -1.8936400000e-01  5.6595000000e-01 -1.1574000000e-02 -6.9811000000e-01 -6.5478300000e-01  1.1491910000e+00 -3.1025000000e-01  2.8986930000e+00  6.7790300000e-01 -1.0513940000e+00  2.5181340000e+00  4.8086500000e-01  3.6511100000e-01  3.0147060000e+00
-ENERGY -1.526511841325e+02
-FORCES -2.0401000000e-03 -2.8064000000e-03 -6.5160000000e-04  3.9656000000e-03  3.4600000000e-04 -3.9850000000e-04  2.8520000000e-04  2.7748000000e-03  3.5962000000e-03 -4.0459000000e-03  1.1025000000e-03 -5.7785000000e-03  2.3000000000e-04  1.8072000000e-03  2.9175000000e-03  1.6052000000e-03 -3.2240000000e-03  3.1490000000e-04
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3051100000e-01 -8.5169900000e-01  7.4171000000e-02  9.3150700000e-01 -1.9168300000e-01  1.0855900000e-01 -2.1289170000e+00  8.2336300000e-01  1.7797400000e+00 -1.3760010000e+00  7.6664300000e-01  1.1914100000e+00 -2.3086590000e+00  1.7609230000e+00  1.8497800000e+00
-ENERGY -1.526615586951e+02
-FORCES  2.8181000000e-03 -4.4900000000e-03  9.4130000000e-04  2.2547000000e-03  5.7374000000e-03  7.6300000000e-04 -4.3593000000e-03 -1.2510000000e-04 -1.1536000000e-03  6.9284000000e-03  2.0158000000e-03 -5.3333000000e-03 -8.9419000000e-03 -3.3610000000e-04  5.2161000000e-03  1.2999000000e-03 -2.8019000000e-03 -4.3340000000e-04
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6210400000e-01  6.6454600000e-01 -1.9033700000e-01 -2.7557800000e-01 -3.8150800000e-01  8.3351100000e-01  6.0255000000e-02 -1.3813520000e+00 -2.3524970000e+00 -1.5773000000e-01 -7.1622400000e-01 -3.0054280000e+00 -1.8285000000e-02 -9.2832000000e-01 -1.5129580000e+00
-ENERGY -1.526592315180e+02
-FORCES -2.4766000000e-03 -2.1208000000e-03 -3.6830000000e-04  3.4223000000e-03 -5.1174000000e-03 -8.1310000000e-04  8.1690000000e-04  2.9274000000e-03 -4.4390000000e-03  6.8720000000e-04  8.4158000000e-03  1.2238900000e-02 -3.2600000000e-05 -8.3910000000e-04  3.2421000000e-03 -2.4173000000e-03 -3.2658000000e-03 -9.8606000000e-03
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6958300000e-01 -2.7484000000e-01 -8.7636700000e-01 -8.8345000000e-01  3.4869500000e-01 -1.1899400000e-01  5.0042100000e-01  1.1062600000e-01 -2.6514590000e+00  1.2060000000e-01  9.6861100000e-01 -2.8407470000e+00  1.4016160000e+00  2.9953400000e-01 -2.3899350000e+00
-ENERGY -1.526563892644e+02
-FORCES -2.1849000000e-03 -2.5170000000e-04 -1.7862800000e-02  5.4851000000e-03  3.3510000000e-04  7.2891000000e-03  2.2952000000e-03  2.0520000000e-04  8.3750000000e-04 -4.9270000000e-04  6.9880000000e-03  6.7447000000e-03  1.6528000000e-03 -4.3774000000e-03  8.7230000000e-04 -6.7555000000e-03 -2.8992000000e-03  2.1192000000e-03
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7484000000e-02  1.6375600000e-01 -9.3902200000e-01 -1.2647900000e-01  8.5756900000e-01  4.0596800000e-01  1.3368880000e+00  3.8302520000e+00 -4.5966700000e-01  1.0703580000e+00  3.3737560000e+00  3.3833400000e-01  1.8322260000e+00  3.1780660000e+00 -9.5517200000e-01
-ENERGY -1.526538004072e+02
-FORCES -2.4893000000e-03  3.5017000000e-03 -2.6157000000e-03  1.0763000000e-03 -7.2900000000e-04  4.1774000000e-03  2.0047000000e-03 -2.9016000000e-03 -1.2396000000e-03  2.7065000000e-03 -3.6877000000e-03  1.5591000000e-03 -3.1700000000e-04  1.0201000000e-03 -3.7689000000e-03 -2.9811000000e-03  2.7965000000e-03  1.8877000000e-03
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4455700000e-01  5.1274100000e-01  7.3116900000e-01  8.7634000000e-02 -9.1024700000e-01  2.8284800000e-01  2.5661100000e+00  9.1048900000e-01  1.3815800000e+00  2.0676010000e+00  1.7268100000e+00  1.3449590000e+00  3.2001520000e+00  1.0478550000e+00  2.0853940000e+00
-ENERGY -1.526545940017e+02
-FORCES  6.7593000000e-03 -3.1082000000e-03  5.5851000000e-03 -3.5547000000e-03  2.8786000000e-03 -2.7096000000e-03 -2.0112000000e-03  2.5979000000e-03 -1.6944000000e-03  2.7066000000e-03  4.6622000000e-03  1.6951000000e-03 -1.0150000000e-03 -6.1919000000e-03  7.7010000000e-04 -2.8850000000e-03 -8.3860000000e-04 -3.6463000000e-03
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5848000000e-01  8.4014700000e-01  1.3448000000e-02  9.1999200000e-01  2.2644800000e-01  1.3626200000e-01  1.6894780000e+00  2.3266450000e+00 -1.7266410000e+00  2.5661490000e+00  2.0594690000e+00 -2.0028620000e+00  1.3869760000e+00  2.9118290000e+00 -2.4211070000e+00
-ENERGY -1.526562252590e+02
-FORCES  3.5146000000e-03  7.2629000000e-03 -1.9435000000e-03 -3.6300000000e-04 -3.8761000000e-03  1.2080000000e-03 -2.8330000000e-03 -3.1866000000e-03  1.3769000000e-03  1.9294000000e-03  1.0154000000e-03 -5.3273000000e-03 -3.6452000000e-03  1.0426000000e-03  1.6833000000e-03  1.3973000000e-03 -2.2582000000e-03  3.0026000000e-03
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2555000000e-02  6.8695200000e-01  6.6619800000e-01 -1.0179400000e-01  4.6669600000e-01 -8.2949700000e-01 -6.0030100000e-01  7.9026800000e-01 -2.5504880000e+00 -1.3915210000e+00  1.3284210000e+00 -2.5748980000e+00 -8.4146100000e-01 -1.2151000000e-02 -3.0133030000e+00
-ENERGY -1.526606037010e+02
-FORCES -1.8904000000e-03  5.5053000000e-03 -1.1875900000e-02 -8.7580000000e-04 -9.3210000000e-04 -3.6281000000e-03  1.7580000000e-03 -2.0008000000e-03  1.0833900000e-02 -3.4300000000e-03 -4.6208000000e-03  2.1689000000e-03  4.0447000000e-03 -2.9081000000e-03  8.4310000000e-04  3.9350000000e-04  4.9565000000e-03  1.6580000000e-03
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6473900000e-01 -6.8336700000e-01 -8.5812000000e-02  4.6017000000e-01  7.3227200000e-01  4.1018700000e-01  1.3126470000e+00  5.7604600000e-01  2.9831530000e+00  2.1670150000e+00  1.6813700000e-01  2.8420900000e+00  6.9503600000e-01 -1.5524100000e-01  2.9856180000e+00
-ENERGY -1.526571305597e+02
-FORCES  5.4774000000e-03  2.2088000000e-03  2.3184000000e-03 -2.6743000000e-03  1.9548000000e-03  1.0355000000e-03 -2.6453000000e-03 -3.7427000000e-03 -4.4892000000e-03 -1.5050000000e-04 -5.5818000000e-03  1.6786000000e-03 -3.9851000000e-03  1.8202000000e-03 -8.1810000000e-04  3.9779000000e-03  3.3408000000e-03  2.7470000000e-04
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6060700000e-01  4.5001700000e-01 -5.2660600000e-01 -4.6659800000e-01 -7.3933900000e-01  3.8973800000e-01 -1.9222300000e+00  1.3076850000e+00 -1.1097770000e+00 -2.6517460000e+00  8.6493600000e-01 -1.5433810000e+00 -2.3380020000e+00  1.9638860000e+00 -5.5052200000e-01
-ENERGY -1.526570948729e+02
-FORCES -1.7705500000e-02  9.6895000000e-03 -8.8951000000e-03  5.8489000000e-03 -3.8637000000e-03  2.4107000000e-03  5.9100000000e-05  2.1191000000e-03 -1.4997000000e-03  8.2422000000e-03 -6.2885000000e-03  8.0955000000e-03  3.2511000000e-03  2.3800000000e-03  3.7989000000e-03  3.0420000000e-04 -4.0363000000e-03 -3.9103000000e-03
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0040900000e-01  2.8166100000e-01 -6.9022300000e-01  1.6852600000e-01 -9.2281900000e-01 -1.9035900000e-01  1.7496260000e+00  3.6288000000e-02  2.3337170000e+00  1.3943300000e+00  3.9223200000e-01  1.5192840000e+00  2.5731630000e+00  5.0693700000e-01  2.4622010000e+00
-ENERGY -1.526606221442e+02
-FORCES -2.5408000000e-03 -2.9987000000e-03 -2.5144000000e-03  2.4169000000e-03 -2.3713000000e-03  2.5312000000e-03 -1.0040000000e-03  5.0089000000e-03 -2.6920000000e-04 -2.1596000000e-03  3.4225000000e-03 -5.2599000000e-03  6.4569000000e-03 -1.7616000000e-03  6.7242000000e-03 -3.1693000000e-03 -1.2998000000e-03 -1.2119000000e-03
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9890000000e-03  5.1098000000e-02 -9.5582700000e-01 -6.5553100000e-01  6.4001900000e-01  2.7728300000e-01 -6.0140100000e-01  1.0359200000e-01 -2.6026740000e+00 -5.0595400000e-01 -7.9117600000e-01 -2.9290370000e+00 -1.3154890000e+00  4.7349600000e-01 -3.1217890000e+00
-ENERGY -1.526579395307e+02
-FORCES -6.7463000000e-03  4.1278000000e-03 -1.5539300000e-02  4.5001000000e-03 -4.1050000000e-03  4.7056000000e-03  1.4787000000e-03 -1.3732000000e-03  5.8600000000e-05 -1.8836000000e-03 -6.7050000000e-04  7.1611000000e-03 -4.8560000000e-04  5.1739000000e-03  2.1764000000e-03  3.1367000000e-03 -3.1530000000e-03  1.4377000000e-03
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6653000000e-01  2.8126500000e-01 -7.1844700000e-01  8.6284000000e-01 -1.0366900000e-01 -4.0123700000e-01 -1.5397000000e-01 -2.8874140000e+00 -2.1478400000e+00  5.3290000000e-02 -3.0947700000e+00 -3.0590360000e+00 -1.0400090000e+00 -3.2263290000e+00 -2.0201500000e+00
-ENERGY -1.526548151331e+02
-FORCES  1.5632000000e-03 -1.8994000000e-03 -6.1474000000e-03  1.5599000000e-03  1.8410000000e-04  3.2854000000e-03 -2.6710000000e-03  2.1704000000e-03  2.3422000000e-03 -3.4588000000e-03 -3.3562000000e-03 -2.1889000000e-03 -6.7640000000e-04  1.5047000000e-03  3.9600000000e-03  3.6831000000e-03  1.3964000000e-03 -1.2513000000e-03
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9716200000e-01  5.5467700000e-01 -5.0196000000e-01 -5.2001100000e-01 -7.7201800000e-01  2.2317700000e-01 -9.7478500000e-01 -9.5318400000e-01 -3.0142380000e+00 -3.8632200000e-01 -3.3627200000e-01 -2.5790800000e+00 -7.2940300000e-01 -1.8084850000e+00 -2.6614210000e+00
-ENERGY -1.526560717301e+02
-FORCES -6.7061000000e-03 -7.7070000000e-04  1.1888000000e-03  4.7366000000e-03 -2.8754000000e-03 -2.8370000000e-04  3.1982000000e-03  2.7900000000e-03 -1.2604000000e-03  6.1636000000e-03 -1.8213000000e-03  3.6331000000e-03 -5.1905000000e-03 -2.2750000000e-04 -1.9494000000e-03 -2.2018000000e-03  2.9049000000e-03 -1.3283000000e-03
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1279000000e-01 -4.6790000000e-01 -4.3500800000e-01 -4.3203900000e-01  7.1575300000e-01  4.6612400000e-01 -1.5235900000e-01  2.1942750000e+00  1.4822020000e+00  7.6511500000e-01  2.4650690000e+00  1.5160130000e+00 -3.0100600000e-01  1.7456700000e+00  2.3146020000e+00
-ENERGY -1.526586856987e+02
-FORCES -1.5815000000e-03  1.2521900000e-02  5.8801000000e-03  9.7970000000e-04  3.7386000000e-03  3.1328000000e-03 -1.8805000000e-03 -1.0524600000e-02 -2.1409000000e-03  7.3605000000e-03 -5.6201000000e-03 -2.2339000000e-03 -4.8638000000e-03 -4.1240000000e-04  1.6624000000e-03 -1.4400000000e-05  2.9670000000e-04 -6.3004000000e-03
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4759700000e-01 -4.3750100000e-01 -8.0018000000e-02 -6.4285200000e-01 -7.0224700000e-01 -9.9103000000e-02 -1.3742750000e+00  1.0815710000e+00 -2.0586780000e+00 -7.7273400000e-01  6.5138300000e-01 -1.4509630000e+00 -8.0673500000e-01  1.5867670000e+00 -2.6408350000e+00
-ENERGY -1.526580526488e+02
-FORCES -1.4051000000e-03 -2.0176000000e-03 -1.8653000000e-03 -4.9696000000e-03  2.4025000000e-03 -4.1220000000e-04  4.1403000000e-03  6.7507000000e-03 -3.7438000000e-03  1.0871100000e-02 -2.5304000000e-03  1.0689800000e-02 -7.9975000000e-03 -2.6381000000e-03 -6.8502000000e-03 -6.3920000000e-04 -1.9672000000e-03  2.1818000000e-03
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2385300000e-01 -4.3839200000e-01  2.1286400000e-01 -2.7236100000e-01 -3.9094300000e-01 -8.3019000000e-01 -1.4330180000e+00 -1.5371260000e+00  2.5272470000e+00 -1.1551710000e+00 -1.8528850000e+00  3.3870900000e+00 -2.3893000000e+00 -1.5369990000e+00  2.5691430000e+00
-ENERGY -1.526522143469e+02
-FORCES  1.4483000000e-03 -5.3292000000e-03 -6.6200000000e-05 -2.2101000000e-03  2.4351000000e-03 -1.7062000000e-03  8.1490000000e-04  1.8854000000e-03  2.9623000000e-03 -3.5599000000e-03  4.2900000000e-05  3.0327000000e-03 -4.4890000000e-04  1.4197000000e-03 -4.0773000000e-03  3.9557000000e-03 -4.5390000000e-04 -1.4530000000e-04
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9283400000e-01 -3.6569900000e-01 -3.9231400000e-01  2.0128300000e-01  6.2903000000e-02  9.3368100000e-01  6.6328200000e-01  2.4209050000e+00 -9.7973700000e-01  1.6067420000e+00  2.5806630000e+00 -9.5538800000e-01  5.6353400000e-01  1.5236020000e+00 -6.6173100000e-01
-ENERGY -1.526558641310e+02
-FORCES  2.0716000000e-03  2.0166000000e-03  2.0544000000e-03 -3.4684000000e-03  8.6172000000e-03  1.4639000000e-03  2.2020000000e-04  4.6430000000e-04 -6.2580000000e-03 -4.4634000000e-03 -1.3436500000e-02  5.9401000000e-03 -3.2043000000e-03 -3.4954000000e-03  1.0634000000e-03  8.8443000000e-03  5.8338000000e-03 -4.2638000000e-03
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5827400000e-01  9.2378800000e-01  1.9441300000e-01 -3.0621500000e-01 -1.1172700000e-01 -8.9999000000e-01  1.5037000000e-02 -8.3409600000e-01 -2.5688930000e+00  7.3636600000e-01 -1.4157510000e+00 -2.3289040000e+00 -6.1053100000e-01 -1.4010540000e+00 -3.0199520000e+00
-ENERGY -1.526610537354e+02
-FORCES -1.5854000000e-03 -1.2707000000e-03 -1.2402400000e-02 -5.8500000000e-05 -2.8683000000e-03 -2.3117000000e-03  4.9720000000e-04  2.5049000000e-03  1.0069500000e-02  2.7998000000e-03 -3.2173000000e-03  3.9062000000e-03 -4.9229000000e-03  2.4258000000e-03 -2.1920000000e-03  3.2699000000e-03  2.4257000000e-03  2.9304000000e-03
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5792000000e-01  4.1566000000e-01  8.6207000000e-02 -1.9353000000e-01 -9.3280300000e-01 -9.3039000000e-02  2.1810810000e+00  1.7455190000e+00 -2.0882070000e+00  3.0161840000e+00  1.6360770000e+00 -1.6333920000e+00  2.0092250000e+00  8.9081300000e-01 -2.4833980000e+00
-ENERGY -1.526536745477e+02
-FORCES -4.9613000000e-03 -5.4400000000e-04  3.2850000000e-04  3.3727000000e-03 -2.3157000000e-03 -5.5700000000e-05  1.5560000000e-03  3.9596000000e-03 -2.7270000000e-04  9.8290000000e-04 -5.4232000000e-03  2.5360000000e-03 -2.6324000000e-03  7.7530000000e-04 -2.3054000000e-03  1.6822000000e-03  3.5480000000e-03 -2.3080000000e-04
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6216000000e-01  6.5337200000e-01 -5.9847900000e-01 -3.5048000000e-01  2.3989300000e-01  8.5781500000e-01 -1.4834100000e+00  1.6491330000e+00 -1.4049290000e+00 -2.3220040000e+00  1.2091970000e+00 -1.5443840000e+00 -1.5669950000e+00  2.4793150000e+00 -1.8740170000e+00
-ENERGY -1.526589429318e+02
-FORCES -9.0995000000e-03  1.3000700000e-02 -6.9874000000e-03  2.3759000000e-03 -5.5216000000e-03  2.9334000000e-03  2.9460000000e-04 -9.2320000000e-04 -2.1422000000e-03  4.2381000000e-03 -5.9355000000e-03  3.6725000000e-03  3.8693000000e-03  3.9356000000e-03  3.1740000000e-04 -1.6784000000e-03 -4.5559000000e-03  2.2062000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7564500000e-01  2.6339000000e-01  8.4008900000e-01  9.4627700000e-01  2.3856000000e-02  1.4220500000e-01  6.7878000000e-02  1.9456200000e+00 -2.0452300000e+00  8.7211800000e-01  1.7684910000e+00 -2.5331400000e+00 -6.9630000000e-02  1.1600530000e+00 -1.5158850000e+00
-ENERGY -1.526600382074e+02
-FORCES  1.5802000000e-03  4.4220000000e-03  3.8306000000e-03  2.7454000000e-03 -1.9415000000e-03 -3.4735000000e-03 -4.8453000000e-03  4.5700000000e-04 -2.0767000000e-03 -2.0930000000e-04 -9.2268000000e-03  6.6148000000e-03 -1.9257000000e-03 -2.3870000000e-04  2.9421000000e-03  2.6548000000e-03  6.5281000000e-03 -7.8374000000e-03
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5398400000e-01  4.6596000000e-02 -5.8785100000e-01  7.3523400000e-01  3.1208300000e-01 -5.2751000000e-01 -6.4904000000e-02 -2.3651220000e+00  1.2138790000e+00 -6.3170000000e-03 -1.6296340000e+00  6.0407800000e-01 -7.4742200000e-01 -2.1088270000e+00  1.8341320000e+00
-ENERGY -1.526585154950e+02
-FORCES  1.0440000000e-03 -4.2471000000e-03  8.6930000000e-04  4.6547000000e-03 -2.0400000000e-03  3.8123000000e-03 -4.8290000000e-03 -2.0108000000e-03  2.1300000000e-03  5.5300000000e-05  1.7851400000e-02 -5.6856000000e-03 -1.9333000000e-03 -8.6853000000e-03  8.8730000000e-04  1.0084000000e-03 -8.6830000000e-04 -2.0133000000e-03
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4582300000e-01  8.8883400000e-01  2.5647100000e-01 -7.5958900000e-01 -3.3004300000e-01 -4.7992500000e-01  2.4147810000e+00 -1.1000990000e+00 -2.0380300000e-01  1.6688820000e+00 -5.0914200000e-01 -3.0693900000e-01  3.0128690000e+00 -8.5727000000e-01 -9.1059600000e-01
-ENERGY -1.526594594970e+02
-FORCES  2.3646000000e-03 -2.8289000000e-03 -8.8020000000e-04  8.6140000000e-04 -4.6529000000e-03 -2.1420000000e-03  3.0405000000e-03  3.1861000000e-03  2.6801000000e-03 -1.1948000000e-02  6.2101000000e-03  2.6580000000e-04  9.3342000000e-03 -2.4789000000e-03 -1.7086000000e-03 -3.6527000000e-03  5.6450000000e-04  1.7848000000e-03
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7879000000e-01  7.0959000000e-02  6.7114800000e-01  4.8021600000e-01 -1.7377800000e-01 -8.0958400000e-01  3.6476470000e+00  4.1820900000e-01  2.7408000000e-01  4.5003690000e+00  3.2967000000e-01  6.9982400000e-01  3.7863260000e+00  1.0771560000e+00 -4.0620600000e-01
-ENERGY -1.526574598851e+02
-FORCES  6.7476000000e-03 -8.3760000000e-04  5.4000000000e-05 -5.2650000000e-03 -1.8290000000e-04 -2.0864000000e-03 -2.9070000000e-03  1.0110000000e-03  2.0191000000e-03  5.7055000000e-03  2.5225000000e-03 -7.1590000000e-04 -3.4926000000e-03  6.5770000000e-04 -2.0218000000e-03 -7.8850000000e-04 -3.1708000000e-03  2.7511000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9584000000e-01  5.9474000000e-01  4.5551200000e-01 -5.7134900000e-01 -6.6669900000e-01 -3.8118800000e-01 -2.5020950000e+00  4.3839900000e-01  2.0969820000e+00 -2.0924220000e+00 -4.2305800000e-01  2.0176630000e+00 -2.1659930000e+00  7.8894600000e-01  2.9218360000e+00
-ENERGY -1.526580099384e+02
-FORCES -6.3959000000e-03  1.9717000000e-03 -4.1620000000e-04  5.5835000000e-03 -3.9397000000e-03 -2.3751000000e-03  2.3812000000e-03  1.6216000000e-03  2.6065000000e-03  1.3937000000e-03 -3.1025000000e-03  5.8755000000e-03 -1.7037000000e-03  4.8829000000e-03 -1.4904000000e-03 -1.2588000000e-03 -1.4340000000e-03 -4.2002000000e-03
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3725500000e-01  1.9161000000e-01 -3.2732000000e-02 -4.1326200000e-01  7.4932000000e-01 -4.2891300000e-01  1.6314940000e+00  1.8419440000e+00 -1.7756750000e+00  1.4337760000e+00  1.9919040000e+00 -2.7001490000e+00  1.9941750000e+00  9.5653500000e-01 -1.7483830000e+00
-ENERGY -1.526553263830e+02
-FORCES  3.0159000000e-03  8.9099000000e-03 -3.4582000000e-03  1.1000000000e-06 -3.5343000000e-03 -1.6368000000e-03 -1.6490000000e-03 -4.5526000000e-03  2.2155000000e-03  7.8300000000e-04 -3.6800000000e-03 -5.0289000000e-03  4.4430000000e-04 -6.2080000000e-04  4.3957000000e-03 -2.5952000000e-03  3.4778000000e-03  3.5127000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2905600000e-01  4.1301200000e-01  5.9155900000e-01 -1.6715000000e-01 -8.5854400000e-01  3.8883800000e-01 -1.9283180000e+00  1.2684960000e+00 -1.3496460000e+00 -2.2522940000e+00  2.0850870000e+00 -9.6957800000e-01 -1.2709120000e+00  9.5818200000e-01 -7.2694700000e-01
-ENERGY -1.526596437016e+02
-FORCES -3.9205000000e-03  3.5070000000e-04 -1.1576000000e-03 -4.0770000000e-03 -2.2557000000e-03 -2.4617000000e-03  2.2049000000e-03  4.7619000000e-03 -9.5830000000e-04  1.0331300000e-02 -6.1082000000e-03  8.0770000000e-03  2.6634000000e-03 -2.8022000000e-03  3.3510000000e-04 -7.2021000000e-03  6.0536000000e-03 -3.8345000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0809000000e-02  9.1094300000e-01  2.8264000000e-01 -1.5727400000e-01  2.6714000000e-02 -9.4381300000e-01  1.5858970000e+00 -2.3778590000e+00 -7.1107100000e-01  2.2406900000e+00 -3.0452960000e+00 -5.0611700000e-01  1.3784210000e+00 -1.9778960000e+00  1.3345000000e-01
-ENERGY -1.526590882594e+02
-FORCES -7.1400000000e-04  3.0552000000e-03 -4.8806000000e-03  4.3000000000e-04 -3.6682000000e-03 -1.5159000000e-03 -5.6040000000e-04  1.7878000000e-03  4.8065000000e-03 -2.7010000000e-04  1.7690000000e-03  5.0127000000e-03 -2.4468000000e-03  3.0894000000e-03 -4.8800000000e-05  3.5613000000e-03 -6.0333000000e-03 -3.3738000000e-03
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6035200000e-01 -3.9002200000e-01 -5.7275600000e-01 -3.7179000000e-02 -5.2356100000e-01  8.0045800000e-01 -3.1404600000e-01  1.6780960000e+00  2.9035940000e+00 -3.5057300000e-01  1.8965070000e+00  3.8348260000e+00 -1.5713900000e-01  7.3403700000e-01  2.8844880000e+00
-ENERGY -1.526510411698e+02
-FORCES -3.7358000000e-03 -3.0391000000e-03  4.3050000000e-04  3.0794000000e-03  1.6516000000e-03  2.2514000000e-03  5.1110000000e-04  2.6901000000e-03 -1.1598000000e-03  9.6320000000e-04 -2.7338000000e-03  3.4180000000e-03  3.0300000000e-05 -7.2200000000e-04 -4.4109000000e-03 -8.4830000000e-04  2.1531000000e-03 -5.2920000000e-04
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2423900000e-01 -1.4838800000e-01  6.0802200000e-01 -2.2093900000e-01 -8.7190000000e-01 -3.2742600000e-01 -1.7687510000e+00  1.9859340000e+00 -1.0457760000e+00 -1.0963470000e+00  1.4085710000e+00 -6.8417200000e-01 -2.2205530000e+00  1.4495960000e+00 -1.6972730000e+00
-ENERGY -1.526603603241e+02
-FORCES  6.8160000000e-04 -1.2206000000e-03  1.1089000000e-03 -3.3556000000e-03 -1.1492000000e-03 -3.0539000000e-03  1.3121000000e-03  4.1867000000e-03  1.5372000000e-03  6.0159000000e-03 -8.2751000000e-03  2.5973000000e-03 -6.1040000000e-03  5.5744000000e-03 -4.2367000000e-03  1.4500000000e-03  8.8380000000e-04  2.0473000000e-03
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1061800000e-01 -9.3158000000e-02  9.2908200000e-01 -7.5570000000e-01 -5.7217000000e-01 -1.3330800000e-01 -1.5687910000e+00  2.8658060000e+00  6.0848300000e-01 -1.3111000000e+00  2.3892550000e+00  1.3976120000e+00 -2.1116960000e+00  2.2465060000e+00  1.2067700000e-01
-ENERGY -1.526526508323e+02
-FORCES -5.2590000000e-04 -2.9980000000e-03  2.6501000000e-03 -1.8954000000e-03  1.2582000000e-03 -3.6383000000e-03  2.4207000000e-03  3.7897000000e-03  7.8250000000e-04  1.5578000000e-03 -7.3544000000e-03 -7.5110000000e-04 -1.4928000000e-03  2.2538000000e-03 -1.2857000000e-03 -6.4500000000e-05  3.0507000000e-03  2.2427000000e-03
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1823200000e-01  4.8306200000e-01  1.1567200000e-01 -6.4918300000e-01  5.0742200000e-01  4.8715100000e-01 -4.9187100000e-01 -1.7042140000e+00  1.9357730000e+00 -3.1435200000e-01 -1.0243330000e+00  1.2857880000e+00 -8.0366600000e-01 -1.2260860000e+00  2.7041540000e+00
-ENERGY -1.526531375409e+02
-FORCES  8.1200000000e-04 -2.1976000000e-03  6.2606000000e-03 -5.5266000000e-03 -2.6598000000e-03  4.6010000000e-04  5.3601000000e-03 -9.4956000000e-03  3.1845000000e-03  5.2752000000e-03  1.0723500000e-02 -1.4004400000e-02 -7.1685000000e-03  2.2090000000e-03  9.0671000000e-03  1.2477000000e-03  1.4206000000e-03 -4.9680000000e-03
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7725400000e-01 -5.5833100000e-01  6.7983600000e-01 -5.9448800000e-01 -5.7580500000e-01 -4.8089900000e-01  2.1479870000e+00  1.1262330000e+00 -1.3221210000e+00  1.2645720000e+00  9.2784500000e-01 -1.0115530000e+00  2.0225590000e+00  1.8057790000e+00 -1.9844770000e+00
-ENERGY -1.526611675021e+02
-FORCES  3.8508000000e-03 -3.8086000000e-03  1.7000000000e-04 -3.3305000000e-03  1.8576000000e-03 -3.4046000000e-03  3.1455000000e-03  2.7340000000e-03  2.3247000000e-03 -9.7903000000e-03 -3.0106000000e-03  4.8526000000e-03  7.6919000000e-03  4.9961000000e-03 -6.2193000000e-03 -1.5673000000e-03 -2.7685000000e-03  2.2766000000e-03
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5712600000e-01  8.9340000000e-03  7.8840000000e-03  2.4463700000e-01  8.3961500000e-01 -3.8914100000e-01  2.5111800000e-01  1.3965620000e+00  2.2818800000e+00  2.5378100000e-01  9.2063200000e-01  1.4513900000e+00  2.0563200000e-01  2.3188520000e+00  2.0297990000e+00
-ENERGY -1.526547556706e+02
-FORCES -4.0499000000e-03  3.9632000000e-03  2.2682000000e-03  6.3486000000e-03  1.4302000000e-03  9.2380000000e-04 -1.1681000000e-03 -2.5901000000e-03  9.5359000000e-03 -4.5820000000e-04 -9.3008000000e-03 -1.3466500000e-02 -4.5830000000e-04  1.0805200000e-02  2.9927000000e-03 -2.1410000000e-04 -4.3076000000e-03 -2.2542000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3976000000e-01  5.8447300000e-01  1.6546500000e-01  3.9015500000e-01 -7.6945000000e-01 -4.1467800000e-01  1.7947420000e+00  1.9015570000e+00  2.9745900000e-01  1.5731900000e+00  2.4847390000e+00  1.0234380000e+00  2.6335220000e+00  1.5143920000e+00  5.4802400000e-01
-ENERGY -1.526579316009e+02
-FORCES  1.3034800000e-02  1.3499000000e-02  4.5960000000e-04 -4.6453000000e-03 -9.5345000000e-03  7.5990000000e-04  1.1607000000e-03  3.4065000000e-03  1.6622000000e-03 -5.1496000000e-03 -3.4797000000e-03  2.2011000000e-03  2.1042000000e-03 -3.9539000000e-03 -3.8029000000e-03 -6.5047000000e-03  6.2600000000e-05 -1.2799000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1984700000e-01 -9.4961800000e-01 -9.7130000000e-03 -8.7468300000e-01  1.2775800000e-01  3.6720500000e-01  1.7527170000e+00  1.3492360000e+00  1.8918190000e+00  1.4532650000e+00  5.9828100000e-01  1.3793470000e+00  2.6834450000e+00  1.1824260000e+00  2.0406530000e+00
-ENERGY -1.526589725185e+02
-FORCES -6.1406000000e-03 -7.2300000000e-04  1.5150000000e-04  1.2965000000e-03  5.4481000000e-03  1.8880000000e-03  4.3301000000e-03 -1.7017000000e-03 -2.1510000000e-03 -2.3860000000e-03 -4.2745000000e-03 -6.1268000000e-03  6.5578000000e-03  1.8746000000e-03  7.6934000000e-03 -3.6579000000e-03 -6.2350000000e-04 -1.4552000000e-03
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4670000000e-02  5.8133000000e-01  7.5913900000e-01  6.2458300000e-01  3.7087700000e-01 -6.2336000000e-01 -5.7955400000e-01 -3.1222940000e+00  1.4559220000e+00 -7.1626400000e-01 -4.0670940000e+00  1.5258830000e+00 -5.4353000000e-02 -2.8982640000e+00  2.2241710000e+00
-ENERGY -1.526519438152e+02
-FORCES  2.4076000000e-03  3.4678000000e-03  4.0220000000e-04  3.5900000000e-05 -2.6230000000e-03 -2.8314000000e-03 -2.6816000000e-03 -1.6899000000e-03  2.5639000000e-03  2.0515000000e-03 -2.2071000000e-03  3.1696000000e-03  5.5370000000e-04  4.0957000000e-03 -6.7780000000e-04 -2.3670000000e-03 -1.0434000000e-03 -2.6265000000e-03
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2536800000e-01  2.3587000000e-01 -6.5510000000e-02 -2.2628000000e-01 -3.2789300000e-01 -8.7035300000e-01  7.4023700000e-01 -5.4562400000e-01 -2.7834270000e+00  1.5540490000e+00 -5.1843000000e-02 -2.6828220000e+00  1.2513700000e-01  8.0673000000e-02 -3.1650500000e+00
-ENERGY -1.526569111985e+02
-FORCES  5.4892000000e-03 -3.7962000000e-03 -1.0226400000e-02 -1.8243000000e-03  7.9160000000e-04  9.1180000000e-04 -4.3777000000e-03  3.5627000000e-03  5.3001000000e-03  2.6503000000e-03  5.0504000000e-03 -1.3613000000e-03 -4.1885000000e-03 -2.1026000000e-03  9.4890000000e-04  2.2509000000e-03 -3.5059000000e-03  4.4268000000e-03
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7530300000e-01 -3.4347100000e-01 -8.1080600000e-01 -9.0951400000e-01  1.9924100000e-01 -2.2207700000e-01  1.8803640000e+00 -1.9917530000e+00 -1.3453220000e+00  2.2014250000e+00 -2.8914050000e+00 -1.2838480000e+00  2.4320980000e+00 -1.4980590000e+00 -7.3861900000e-01
-ENERGY -1.526586675447e+02
-FORCES -1.3443000000e-03 -3.6169000000e-03 -5.3675000000e-03 -1.3377000000e-03  6.1045000000e-03  4.7398000000e-03  3.1696000000e-03 -1.0074000000e-03  5.9980000000e-04  3.1105000000e-03 -3.6225000000e-03  4.1503000000e-03 -3.2790000000e-04  3.7404000000e-03 -9.1000000000e-05 -3.2702000000e-03 -1.5982000000e-03 -4.0313000000e-03
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9585000000e-02  7.5034000000e-02  9.5343300000e-01 -8.4896100000e-01  3.7443200000e-01 -2.3515500000e-01 -1.6423240000e+00  1.7365030000e+00  1.9343560000e+00 -2.3828750000e+00  2.3000640000e+00  2.1584440000e+00 -1.9097210000e+00  8.6338100000e-01  2.2213920000e+00
-ENERGY -1.526558747854e+02
-FORCES -3.9800000000e-03  6.9680000000e-03  4.3317000000e-03 -4.8190000000e-04 -3.6626000000e-03 -2.2447000000e-03  2.5414000000e-03 -4.2090000000e-03 -1.0929000000e-03 -4.4306000000e-03  4.8200000000e-04  3.3746000000e-03  3.1445000000e-03 -2.9446000000e-03 -1.3622000000e-03  3.2066000000e-03  3.3662000000e-03 -3.0066000000e-03
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7487800000e-01 -1.3874000000e-02  3.8810800000e-01  4.7332500000e-01  6.6581100000e-01  4.9889000000e-01  7.3708000000e-02 -1.4463000000e-01  3.3164860000e+00 -3.9968600000e-01  5.8307200000e-01  2.9132760000e+00  9.9633000000e-01  9.9883000000e-02  3.2442760000e+00
-ENERGY -1.526515311817e+02
-FORCES -1.7205000000e-03  3.6270000000e-04  5.5143000000e-03  3.2545000000e-03  1.7649000000e-03 -1.8695000000e-03 -1.8893000000e-03 -1.5657000000e-03 -1.1721000000e-03  2.8048000000e-03  2.7660000000e-03 -2.0488000000e-03  1.8559000000e-03 -3.1091000000e-03 -3.9780000000e-04 -4.3053000000e-03 -2.1890000000e-04 -2.6100000000e-05
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5532900000e-01  2.0231000000e-02 -5.6300000000e-02  2.8888300000e-01  7.1750600000e-01 -5.6388200000e-01  2.3813410000e+00  1.0432860000e+00 -1.5684950000e+00  2.4252280000e+00  1.9922350000e+00 -1.6859730000e+00  3.2131780000e+00  8.1404300000e-01 -1.1540950000e+00
-ENERGY -1.526575235570e+02
-FORCES  1.4954000000e-03  2.9641000000e-03 -4.4962000000e-03  3.9810000000e-03  5.2410000000e-04 -4.2730000000e-04 -6.8475000000e-03 -1.2499000000e-03  4.4538000000e-03  6.3290000000e-03  2.3170000000e-04  1.9810000000e-03 -2.0786000000e-03 -4.4826000000e-03  1.2935000000e-03 -2.8793000000e-03  2.0126000000e-03 -2.8048000000e-03
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0332800000e-01  9.3030600000e-01 -9.7063000000e-02  2.6102700000e-01 -9.4296000000e-02  9.1608100000e-01 -3.2676110000e+00 -9.4249300000e-01  1.0395250000e+00 -2.7937170000e+00 -6.6854400000e-01  2.5428000000e-01 -3.0972040000e+00 -2.4895400000e-01  1.6768610000e+00
-ENERGY -1.526559139712e+02
-FORCES  3.2041000000e-03  2.8939000000e-03  3.7025000000e-03 -6.9170000000e-04 -4.6221000000e-03  7.1170000000e-04 -1.4899000000e-03  1.1414000000e-03 -4.0989000000e-03  4.5696000000e-03  3.5233000000e-03 -1.8526000000e-03 -4.9576000000e-03 -5.1240000000e-04  3.4565000000e-03 -6.3450000000e-04 -2.4241000000e-03 -1.9193000000e-03
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3937700000e-01 -6.3705000000e-02 -9.2459300000e-01  5.1689900000e-01 -7.8773100000e-01  1.6890100000e-01 -3.1989300000e-01 -6.5350600000e-01 -2.7955580000e+00 -1.0459020000e+00 -5.9332000000e-02 -2.9855570000e+00  4.2131000000e-01 -2.8918200000e-01 -3.2794160000e+00
-ENERGY -1.526599661814e+02
-FORCES  5.2150000000e-04 -6.8905000000e-03 -1.0963700000e-02 -1.7609000000e-03  5.7459000000e-03  7.5059000000e-03 -8.0370000000e-04  2.6548000000e-03  5.6590000000e-04  1.1456000000e-03  2.4307000000e-03 -3.9607000000e-03  5.0588000000e-03 -2.2767000000e-03  3.9647000000e-03 -4.1614000000e-03 -1.6642000000e-03  2.8879000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7125100000e-01  2.6693100000e-01 -7.8924200000e-01 -6.6573400000e-01 -2.3520000000e-03  6.8776800000e-01 -1.0517740000e+00 -6.4127300000e-01  2.3916900000e+00 -1.8159520000e+00 -6.5212000000e-02  2.4121070000e+00 -1.3919860000e+00 -1.5002280000e+00  2.6420550000e+00
-ENERGY -1.526550422977e+02
-FORCES -4.5744000000e-03 -3.7185000000e-03  1.0026800000e-02 -2.5760000000e-04 -1.4012000000e-03  4.7739000000e-03 -1.6991000000e-03  6.6116000000e-03 -7.0137000000e-03 -1.0000000000e-06 -3.7494000000e-03 -1.8997000000e-03  5.6239000000e-03 -2.6982000000e-03 -5.6259000000e-03  9.0810000000e-04  4.9558000000e-03 -2.6150000000e-04
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9322400000e-01 -4.7042900000e-01  4.6299900000e-01  3.8418300000e-01  5.7421700000e-01  6.6250300000e-01  1.3567690000e+00  1.6453320000e+00  1.9665060000e+00  7.3802500000e-01  1.3848170000e+00  2.6487960000e+00  1.2126800000e+00  2.5853940000e+00  1.8580910000e+00
-ENERGY -1.526592453860e+02
-FORCES  4.5505000000e-03  4.8129000000e-03  7.3741000000e-03  2.7133000000e-03  2.4844000000e-03 -8.4300000000e-05 -8.1801000000e-03 -6.2728000000e-03 -4.5847000000e-03 -7.0830000000e-04  4.4092000000e-03  3.0904000000e-03  1.4743000000e-03 -6.3900000000e-05 -6.6725000000e-03  1.5040000000e-04 -5.3698000000e-03  8.7700000000e-04
-
-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1809900000e-01 -4.3192100000e-01  6.7915300000e-01  4.6414800000e-01 -1.9245600000e-01 -8.1471400000e-01 -2.9144580000e+00 -3.8191400000e-01  1.9856000000e+00 -2.3912120000e+00  2.9890000000e-03  2.6886610000e+00 -3.1726290000e+00  3.6322700000e-01  1.4430640000e+00
-ENERGY -1.526541635742e+02
-FORCES  3.4952000000e-03 -3.9096000000e-03 -2.7820000000e-04 -1.4328000000e-03  2.4940000000e-03 -2.6084000000e-03 -2.0548000000e-03  8.8090000000e-04  3.3196000000e-03  2.5357000000e-03  5.2733000000e-03 -1.4964000000e-03 -1.9833000000e-03 -1.9548000000e-03 -2.0239000000e-03 -5.6010000000e-04 -2.7839000000e-03  3.0872000000e-03
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7762200000e-01 -6.5528200000e-01  5.0863900000e-01  3.9649300000e-01  8.3431000000e-01  2.5090300000e-01  1.5670670000e+00  1.1313670000e+00 -3.0118290000e+00  1.9989970000e+00  1.1142810000e+00 -3.8658650000e+00  6.3638500000e-01  1.2242080000e+00 -3.2154050000e+00
-ENERGY -1.526549297771e+02
-FORCES  5.3501000000e-03  7.4030000000e-04  2.0535000000e-03 -2.2388000000e-03  2.4497000000e-03 -1.4528000000e-03 -2.6584000000e-03 -3.2379000000e-03 -9.3800000000e-05 -3.1318000000e-03 -6.2720000000e-04 -4.0011000000e-03 -1.6822000000e-03 -1.1950000000e-04  3.5854000000e-03  4.3611000000e-03  7.9460000000e-04 -9.1200000000e-05
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1085900000e-01 -8.0030100000e-01 -1.2154600000e-01 -9.1120700000e-01 -2.8301700000e-01 -7.6381000000e-02  1.6963100000e+00 -2.0082200000e+00 -3.0220100000e-01  1.4178990000e+00 -2.8997060000e+00 -9.2505000000e-02  2.4985380000e+00 -1.8819010000e+00  2.0445900000e-01
-ENERGY -1.526592232461e+02
-FORCES  1.0120700000e-02 -1.3780800000e-02 -2.8257000000e-03 -7.4299000000e-03  6.8056000000e-03  1.7222000000e-03  3.4640000000e-03 -1.4266000000e-03  1.2260000000e-04 -2.8459000000e-03  5.3762000000e-03  4.0431000000e-03  1.0899000000e-03  5.2363000000e-03 -4.8310000000e-04 -4.3988000000e-03 -2.2107000000e-03 -2.5791000000e-03
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9805800000e-01  3.1291400000e-01 -1.0866600000e-01 -2.4903700000e-01 -3.2043900000e-01 -8.6690900000e-01  6.7267500000e-01 -2.4702040000e+00  1.2705650000e+00  2.0335500000e-01 -3.1447290000e+00  7.7966000000e-01  3.0882000000e-01 -1.6443220000e+00  9.5156700000e-01
-ENERGY -1.526605327915e+02
-FORCES  4.0431000000e-03  5.0310000000e-04 -4.3563000000e-03 -5.1199000000e-03 -2.3744000000e-03  4.8300000000e-04  1.5493000000e-03  7.0800000000e-05  5.2451000000e-03 -5.5400000000e-03  8.7807000000e-03 -5.1620000000e-03  1.3062000000e-03  2.9032000000e-03  5.1740000000e-04  3.7613000000e-03 -9.8834000000e-03  3.2728000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2867200000e-01  4.3080800000e-01 -7.8905700000e-01 -9.0138700000e-01  3.1059200000e-01  8.5242000000e-02 -2.3770310000e+00  1.4574770000e+00 -6.4092300000e-01 -3.2413620000e+00  1.0722160000e+00 -4.9691600000e-01 -2.1549400000e+00  1.2190530000e+00 -1.5409570000e+00
-ENERGY -1.526582912888e+02
-FORCES -8.6448000000e-03  8.7131000000e-03 -2.6535000000e-03 -1.2468000000e-03 -1.9902000000e-03  1.0884000000e-03  6.0349000000e-03 -6.5923000000e-03  5.0690000000e-04 -2.2553000000e-03 -1.4885000000e-03 -4.1354000000e-03  5.3335000000e-03  1.0886000000e-03 -5.1060000000e-04  7.7850000000e-04  2.6940000000e-04  5.7042000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5995900000e-01 -3.9049800000e-01  4.3151500000e-01 -3.4212200000e-01  7.8842600000e-01 -4.2138900000e-01 -2.5769710000e+00 -6.3940600000e-01  8.4565200000e-01 -2.5861420000e+00 -1.3719520000e+00  1.4617080000e+00 -3.0769170000e+00 -9.5325100000e-01  9.2137000000e-02
-ENERGY -1.526598173636e+02
-FORCES -1.4734300000e-02  2.4140000000e-04  3.8219000000e-03  9.1724000000e-03 -1.3149000000e-03 -1.0697000000e-03  1.6185000000e-03 -1.9892000000e-03 -4.2000000000e-05 -5.9930000000e-04 -2.2739000000e-03 -2.5670000000e-03  1.8560000000e-03  3.7690000000e-03 -4.3903000000e-03  2.6868000000e-03  1.5676000000e-03  4.2470000000e-03
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3993200000e-01 -1.7889600000e-01 -9.2986400000e-01  7.0677900000e-01 -5.9310900000e-01  2.5478900000e-01  1.0134000000e-02 -7.7181000000e-01 -2.7945310000e+00 -1.9105600000e-01 -1.6292080000e+00 -3.1695290000e+00 -2.8401600000e-01 -1.4556500000e-01 -3.4559880000e+00
-ENERGY -1.526613196387e+02
-FORCES  2.5861000000e-03 -4.8979000000e-03 -9.7661000000e-03 -9.7410000000e-04  4.0038000000e-03  8.4694000000e-03 -2.1472000000e-03  1.4155000000e-03  2.6300000000e-05 -1.6910000000e-03 -1.3005000000e-03 -2.7291000000e-03  1.2187000000e-03  4.4654000000e-03  7.6480000000e-04  1.0074000000e-03 -3.6863000000e-03  3.2347000000e-03
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4068700000e-01 -7.4536600000e-01 -2.6137800000e-01  5.3668500000e-01  4.7500700000e-01  6.3448400000e-01  1.0248690000e+00  1.0558660000e+00  2.5852850000e+00  1.9231690000e+00  8.6056700000e-01  2.8520210000e+00  4.7966400000e-01  6.0381800000e-01  3.2292070000e+00
-ENERGY -1.526604517838e+02
-FORCES  5.4094000000e-03  1.9320000000e-03  6.5930000000e-03 -1.4505000000e-03  2.4036000000e-03  1.4062000000e-03 -2.5516000000e-03 -3.8516000000e-03 -9.0258000000e-03 -7.6450000000e-04 -2.8145000000e-03  5.2913000000e-03 -4.4531000000e-03  4.5100000000e-05 -2.0139000000e-03  3.8103000000e-03  2.2853000000e-03 -2.2508000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1783100000e-01 -9.1367800000e-01  2.5988400000e-01  5.5531300000e-01  3.7433300000e-01  6.8391100000e-01 -2.6734610000e+00  5.4999600000e-01 -9.8347000000e-02 -3.0170410000e+00 -7.3000000000e-03  5.9994100000e-01 -1.7306010000e+00  3.8495900000e-01 -9.5112000000e-02
-ENERGY -1.526588156367e+02
-FORCES -1.5742000000e-03  4.4680000000e-04  3.2933000000e-03 -2.1981000000e-03  6.4222000000e-03 -3.3980000000e-04 -2.8866000000e-03 -3.3012000000e-03 -3.1864000000e-03  1.4629400000e-02 -2.4408000000e-03  1.9361000000e-03  2.5523000000e-03  7.6390000000e-04 -1.9476000000e-03 -1.0522800000e-02 -1.8908000000e-03  2.4440000000e-04
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9314800000e-01  7.7864100000e-01  5.2215300000e-01 -8.3351600000e-01 -3.1979800000e-01  3.4527100000e-01  8.8857500000e-01  2.4380510000e+00  8.6336000000e-01  1.5195760000e+00  2.5311370000e+00  1.4963400000e-01  1.3679500000e-01  2.9632370000e+00  5.8906700000e-01
-ENERGY -1.526603134550e+02
-FORCES  3.8208000000e-03  1.0704200000e-02  6.8971000000e-03 -5.5851000000e-03 -8.6935000000e-03 -5.0746000000e-03  2.4983000000e-03  3.2939000000e-03 -2.8470000000e-04  1.9100000000e-04 -2.9200000000e-04 -6.8989000000e-03 -4.0261000000e-03 -2.2740000000e-04  3.9596000000e-03  3.1011000000e-03 -4.7853000000e-03  1.4015000000e-03
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9461000000e-02 -2.1756300000e-01 -9.3168100000e-01 -8.7570300000e-01  3.6243100000e-01  1.3423600000e-01 -2.7111990000e+00  8.5442400000e-01  9.0029200000e-01 -2.8376170000e+00  1.5249230000e+00  1.5716210000e+00 -3.4084880000e+00  1.0165410000e+00  2.6488900000e-01
-ENERGY -1.526608768401e+02
-FORCES -8.0401000000e-03  1.7761000000e-03  2.7670000000e-04 -9.5170000000e-04  9.6200000000e-04  2.9015000000e-03  9.3604000000e-03 -2.5162000000e-03 -4.4575000000e-03 -3.7184000000e-03  3.3369000000e-03  2.1447000000e-03 -4.9880000000e-04 -3.0498000000e-03 -3.6661000000e-03  3.8485000000e-03 -5.0900000000e-04  2.8007000000e-03
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4367500000e-01 -6.8667700000e-01  3.8616600000e-01 -8.5941700000e-01 -1.1844100000e-01  4.0448200000e-01 -2.6278330000e+00  1.2533200000e-01 -2.5172530000e+00 -3.2587310000e+00  5.2044700000e-01 -3.1189870000e+00 -3.0293990000e+00 -7.0438400000e-01 -2.2592830000e+00
-ENERGY -1.526529289460e+02
-FORCES -2.1502000000e-03 -2.5762000000e-03  2.4170000000e-03 -2.3038000000e-03  2.7059000000e-03 -1.8120000000e-03  3.9167000000e-03 -2.3570000000e-04 -5.9650000000e-04 -3.8197000000e-03 -1.8107000000e-03 -2.2604000000e-03  2.8078000000e-03 -1.6740000000e-03  2.5885000000e-03  1.5493000000e-03  3.5908000000e-03 -3.3650000000e-04
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2368300000e-01  1.6798600000e-01 -7.0642200000e-01  2.7039000000e-01 -8.4325400000e-01  3.6337800000e-01  1.6338500000e+00  9.4372500000e-01 -2.1223560000e+00  2.2050210000e+00  2.0595700000e-01 -1.9085950000e+00  1.7919960000e+00  1.5796780000e+00 -1.4246560000e+00
-ENERGY -1.526556671190e+02
-FORCES  4.3767000000e-03  6.6320000000e-04 -9.1110000000e-03  1.6526000000e-03 -2.0459000000e-03  9.9121000000e-03  7.9640000000e-04  3.3858000000e-03 -2.8441000000e-03  4.0634000000e-03  2.3379000000e-03  2.1622000000e-03 -7.6355000000e-03  2.5407000000e-03  2.3635000000e-03 -3.2536000000e-03 -6.8817000000e-03 -2.4828000000e-03
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4622000000e-01 -7.5329500000e-01  5.3680000000e-01 -4.0451600000e-01  6.1134500000e-01  6.1551300000e-01  2.0027220000e+00  5.9064700000e-01 -1.7170340000e+00  1.3484400000e+00  5.8255800000e-01 -1.0184050000e+00  1.4905810000e+00  5.7871000000e-01 -2.5256130000e+00
-ENERGY -1.526603857319e+02
-FORCES  3.7735000000e-03 -1.4207000000e-03 -1.7400000000e-04 -1.9144000000e-03  4.8325000000e-03 -1.9238000000e-03  3.0146000000e-03 -3.3391000000e-03 -3.2233000000e-03 -1.3813600000e-02 -3.2714000000e-03  7.7277000000e-03  7.5462000000e-03  3.0233000000e-03 -4.3818000000e-03  1.3937000000e-03  1.7530000000e-04  1.9752000000e-03
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0008600000e-01  2.4426700000e-01  2.1543000000e-01 -4.1970000000e-03 -9.5652200000e-01  3.5782000000e-02 -1.7802760000e+00  1.7891840000e+00  1.0150920000e+00 -1.5268450000e+00  2.4441320000e+00  1.6655130000e+00 -1.1014860000e+00  1.1169040000e+00  1.0743860000e+00
-ENERGY -1.526576985189e+02
-FORCES  7.9030000000e-04 -4.9920000000e-04 -9.7120000000e-04 -5.7892000000e-03 -8.6010000000e-04  7.3510000000e-04  3.9250000000e-04  5.3294000000e-03  1.6080000000e-04  7.6075000000e-03 -7.6387000000e-03 -3.3730000000e-03  1.2548000000e-03 -3.2283000000e-03 -2.6806000000e-03 -4.2558000000e-03  6.8970000000e-03  6.1288000000e-03
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0081300000e-01 -6.5090300000e-01  3.7664000000e-02  3.3199300000e-01  7.3980000000e-01  5.0863400000e-01  1.2391130000e+00  1.9626910000e+00  1.1540060000e+00  4.7739400000e-01  2.5375760000e+00  1.0796820000e+00  1.9193370000e+00  2.3979630000e+00  6.4013300000e-01
-ENERGY -1.526551203628e+02
-FORCES  1.4751800000e-02  1.4038900000e-02  1.0928200000e-02 -1.2745000000e-03  1.5523000000e-03 -7.3550000000e-04 -9.5575000000e-03  7.0910000000e-04 -1.7260000000e-03 -3.4184000000e-03 -6.9461000000e-03 -9.8403000000e-03  3.2930000000e-03 -8.0076000000e-03 -2.0258000000e-03 -3.7943000000e-03 -1.3465000000e-03  3.3994000000e-03
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1763000000e-01 -4.5533100000e-01  4.4035600000e-01 -1.1187700000e-01  9.1836300000e-01  2.4561200000e-01 -3.8586800000e-01 -1.2784440000e+00 -2.3691600000e+00 -1.3137160000e+00 -1.0843830000e+00 -2.5020900000e+00 -1.7428200000e-01 -8.7415800000e-01 -1.5277230000e+00
-ENERGY -1.526584028332e+02
-FORCES -2.3129000000e-03  1.3851000000e-03 -3.3511000000e-03  3.1760000000e-03  2.4779000000e-03 -5.4771000000e-03 -6.6080000000e-04 -5.1635000000e-03  2.8610000000e-04  1.2238000000e-03  9.5678000000e-03  1.1572500000e-02  2.3233000000e-03 -5.2120000000e-04  1.4998000000e-03 -3.7495000000e-03 -7.7462000000e-03 -4.5302000000e-03
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2147800000e-01 -3.5139100000e-01  6.3759000000e-01 -4.3922300000e-01 -1.0157400000e-01 -8.4439200000e-01 -1.6153860000e+00 -1.0102540000e+00  1.8710940000e+00 -1.1896670000e+00 -1.8025940000e+00  2.1984960000e+00 -1.5614770000e+00 -3.9069700000e-01  2.5987440000e+00
-ENERGY -1.526605286154e+02
-FORCES -1.2636100000e-02 -6.9433000000e-03  1.0385200000e-02  7.6460000000e-03  4.5017000000e-03 -6.0934000000e-03  3.5570000000e-04 -4.9160000000e-04  3.0043000000e-03  5.6371000000e-03  1.5736000000e-03 -9.9570000000e-04 -1.9062000000e-03  5.1398000000e-03 -1.7013000000e-03  9.0360000000e-04 -3.7803000000e-03 -4.5991000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3513700000e-01 -7.1289600000e-01  5.9390300000e-01  5.7022000000e-01  7.2453700000e-01  2.5715300000e-01 -2.1048460000e+00  1.7479620000e+00  1.7381700000e-01 -1.3416620000e+00  1.1897380000e+00  2.4928000000e-02 -2.6147560000e+00  1.2850360000e+00  8.3858900000e-01
-ENERGY -1.526579711866e+02
-FORCES -1.6404000000e-03  8.4530000000e-04  4.2736000000e-03 -1.4390000000e-04  4.0202000000e-03 -2.7385000000e-03 -7.2222000000e-03 -2.9057000000e-03 -1.2553000000e-03  7.8782000000e-03 -1.3273100000e-02  5.1340000000e-04  1.3100000000e-05  9.7751000000e-03  5.7220000000e-04  1.1152000000e-03  1.5381000000e-03 -1.3654000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6009600000e-01  5.7567500000e-01 -7.1915300000e-01  8.4101600000e-01 -3.6415700000e-01 -2.7624800000e-01 -9.1434300000e-01  1.1504040000e+00 -2.1224550000e+00 -4.2195200000e-01  1.6082280000e+00 -2.8037630000e+00 -1.4465510000e+00  5.1282800000e-01 -2.5983580000e+00
-ENERGY -1.526575396083e+02
-FORCES -5.1802000000e-03  9.4588000000e-03 -1.8059900000e-02  2.3474000000e-03 -3.2968000000e-03  6.6321000000e-03 -2.3342000000e-03  1.4331000000e-03 -5.3370000000e-04  4.0526000000e-03 -8.0796000000e-03  8.2946000000e-03 -2.4430000000e-03 -3.8962000000e-03  2.9527000000e-03  3.5573000000e-03  4.3807000000e-03  7.1410000000e-04
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4131900000e-01 -5.8592100000e-01  1.5288800000e-01 -7.6980200000e-01 -5.2429600000e-01  2.2079700000e-01  1.0424140000e+00  1.2891070000e+00  2.2147000000e+00  5.4936900000e-01  1.0207400000e+00  1.4393820000e+00  3.8295100000e-01  1.6566420000e+00  2.8031370000e+00
-ENERGY -1.526605143832e+02
-FORCES  1.4047000000e-03 -4.7363000000e-03  2.9982000000e-03 -4.7806000000e-03  4.7058000000e-03  5.5940000000e-04  4.1680000000e-03  3.0156000000e-03 -2.5270000000e-04 -7.6782000000e-03 -3.0537000000e-03 -9.8596000000e-03  5.9481000000e-03  1.9996000000e-03  9.2217000000e-03  9.3800000000e-04 -1.9309000000e-03 -2.6669000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4160100000e-01 -7.4165800000e-01 -2.6989500000e-01 -6.2318000000e-02  5.4873400000e-01 -7.8181800000e-01 -1.0514440000e+00  1.1491090000e+00 -2.2034740000e+00 -4.5180300000e-01  1.6143680000e+00 -2.7867380000e+00 -1.6902200000e+00  7.4361600000e-01 -2.7897950000e+00
-ENERGY -1.526572180045e+02
-FORCES -5.0623000000e-03  3.9176000000e-03 -1.2641500000e-02 -1.9323000000e-03  2.4466000000e-03 -1.3760000000e-04  7.1103000000e-03 -4.2970000000e-04  5.5260000000e-03 -2.0928000000e-03 -5.1663000000e-03  1.6344000000e-03 -1.6078000000e-03 -4.1045000000e-03  4.5953000000e-03  3.5850000000e-03  3.3363000000e-03  1.0234000000e-03
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5805200000e-01  6.4905600000e-01  2.4884900000e-01  4.5310500000e-01 -2.0783400000e-01  8.1714900000e-01 -2.1871380000e+00  1.7567950000e+00  2.1505200000e-01 -2.8002860000e+00  1.0714480000e+00 -5.0616000000e-02 -2.4567530000e+00  2.5270840000e+00 -2.8514300000e-01
-ENERGY -1.526613978166e+02
-FORCES -5.7167000000e-03  7.8005000000e-03  2.9051000000e-03  5.2710000000e-03 -9.2635000000e-03  4.6900000000e-05 -2.3140000000e-03  1.4043000000e-03 -2.1746000000e-03 -8.6250000000e-04  4.1530000000e-04 -4.5058000000e-03  4.1859000000e-03  3.6456000000e-03  1.4421000000e-03 -5.6370000000e-04 -4.0022000000e-03  2.2863000000e-03
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6831200000e-01  3.9115500000e-01 -9.6253000000e-02 -5.9973100000e-01  6.5714700000e-01 -3.5314500000e-01  2.2206860000e+00  1.5496850000e+00  4.6714000000e-02  3.0089520000e+00  1.3120940000e+00 -4.4156800000e-01  2.5475570000e+00  1.9979790000e+00  8.2672700000e-01
-ENERGY -1.526599427838e+02
-FORCES  1.0896500000e-02  1.0985600000e-02 -4.2200000000e-04 -5.2390000000e-03 -6.4464000000e-03 -2.4802000000e-03  1.3061000000e-03 -1.7010000000e-03  1.0962000000e-03 -2.6848000000e-03 -2.0228000000e-03  3.6216000000e-03 -4.4741000000e-03  6.8210000000e-04  3.1338000000e-03  1.9530000000e-04 -1.4974000000e-03 -4.9495000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.8312000000e-02  6.3477600000e-01  7.0966600000e-01 -8.3119500000e-01 -4.7448800000e-01 -1.4428000000e-02 -1.1155100000e+00  2.6545750000e+00 -1.4532460000e+00 -1.1870520000e+00  1.8322880000e+00 -1.9379710000e+00 -2.3766500000e-01  2.9774570000e+00 -1.6566370000e+00
-ENERGY -1.526561789013e+02
-FORCES -4.6956000000e-03  3.1902000000e-03  3.7260000000e-03  1.4715000000e-03 -4.0109000000e-03 -1.8338000000e-03  3.2848000000e-03  1.8477000000e-03 -9.7520000000e-04  5.4471000000e-03 -4.9871000000e-03 -2.3679000000e-03 -1.8785000000e-03  4.1015000000e-03  5.8450000000e-04 -3.6295000000e-03 -1.4140000000e-04  8.6640000000e-04
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4931900000e-01  3.0820500000e-01  8.9383700000e-01 -7.6120100000e-01 -5.7624900000e-01  6.8859000000e-02 -1.9029050000e+00 -9.2616100000e-01  2.8415740000e+00 -1.9212820000e+00  2.7600000000e-04  2.6015530000e+00 -2.7503730000e+00 -1.2655090000e+00  2.5536990000e+00
-ENERGY -1.526552396923e+02
-FORCES -1.6985000000e-03 -3.5107000000e-03  5.3279000000e-03 -1.2198000000e-03  8.6080000000e-04 -3.7879000000e-03  2.1736000000e-03  3.5585000000e-03 -2.0270000000e-03 -5.2679000000e-03  2.1193000000e-03  1.4750000000e-04  1.7972000000e-03 -4.5821000000e-03 -2.7730000000e-04  4.2153000000e-03  1.5542000000e-03  6.1680000000e-04
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2386700000e-01 -2.2027000000e-02 -6.2591000000e-01 -6.1024900000e-01  6.4283900000e-01 -3.6136700000e-01 -2.0337590000e+00 -1.5630150000e+00  4.5098900000e-01 -1.1678320000e+00 -1.1681490000e+00  3.4859900000e-01 -1.9717350000e+00 -2.4000910000e+00 -9.1060000000e-03
-ENERGY -1.526586368170e+02
-FORCES -8.0359000000e-03 -4.4471000000e-03 -1.8243000000e-03 -4.4770000000e-03  7.7750000000e-04  2.2720000000e-03  4.0584000000e-03 -4.7898000000e-03  1.6019000000e-03  1.6243100000e-02  7.6500000000e-03 -3.2987000000e-03 -9.2639000000e-03 -2.1571000000e-03  6.3210000000e-04  1.4753000000e-03  2.9665000000e-03  6.1700000000e-04
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4146700000e-01 -6.0035500000e-01  7.7665000000e-02 -7.7178400000e-01 -5.6374800000e-01  5.2631000000e-02  9.9407600000e-01  2.4321340000e+00  1.3601230000e+00  1.6833000000e-01  2.9010070000e+00  1.4806750000e+00  7.6423300000e-01  1.6764240000e+00  8.1947000000e-01
-ENERGY -1.526605817534e+02
-FORCES -1.7412000000e-03 -4.2116000000e-03  1.5416000000e-03 -3.7609000000e-03  3.7361000000e-03  4.6100000000e-05  4.0127000000e-03  1.4107000000e-03 -7.5570000000e-04 -7.1479000000e-03 -5.9380000000e-03 -4.3890000000e-03  2.4758000000e-03 -8.7400000000e-04  1.0100000000e-04  6.1616000000e-03  5.8768000000e-03  3.4560000000e-03
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8268000000e-01 -6.7082400000e-01 -1.3223000000e-02 -1.9876300000e-01  1.5835300000e-01 -9.2284800000e-01 -7.0313900000e-01 -3.3886770000e+00  4.4140000000e-01  3.5535000000e-02 -3.9941110000e+00  5.0497300000e-01 -7.0557000000e-01 -2.9243290000e+00  1.2784230000e+00
-ENERGY -1.526553823485e+02
-FORCES  8.2540000000e-04 -3.9918000000e-03 -5.1661000000e-03 -1.4563000000e-03  3.8110000000e-03  1.2372000000e-03  1.2295000000e-03  3.0310000000e-04  3.5466000000e-03  8.5480000000e-04 -4.8340000000e-04  4.6670000000e-03 -2.5112000000e-03  3.4909000000e-03 -7.2190000000e-04  1.0577000000e-03 -3.1298000000e-03 -3.5628000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2530400000e-01 -6.5153900000e-01 -3.1737100000e-01 -2.3037000000e-01  5.0981500000e-01 -7.7669200000e-01 -1.2757970000e+00  1.5597940000e+00 -1.8613230000e+00 -2.0320810000e+00  1.8023970000e+00 -1.3270850000e+00 -1.6480200000e+00  1.3235070000e+00 -2.7109410000e+00
-ENERGY -1.526609853114e+02
-FORCES -3.7206000000e-03  5.9103000000e-03 -1.0139700000e-02 -2.4079000000e-03  2.3789000000e-03 -6.2200000000e-04  4.6074000000e-03 -5.3485000000e-03  7.7771000000e-03 -3.1213000000e-03 -3.0376000000e-03  2.6382000000e-03  3.5904000000e-03 -1.2396000000e-03 -3.8994000000e-03  1.0521000000e-03  1.3365000000e-03  4.2458000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4753700000e-01 -1.7066300000e-01  6.8396000000e-01 -5.0109600000e-01  4.0083900000e-01 -7.1025500000e-01  1.5301930000e+00  1.3294570000e+00  1.8319360000e+00  1.9685040000e+00  2.1562940000e+00  1.6307970000e+00  1.2406270000e+00  9.9832600000e-01  9.8179700000e-01
-ENERGY -1.526607215437e+02
-FORCES -3.4516000000e-03  2.0648000000e-03  4.3279000000e-03  2.9191000000e-03  1.0514000000e-03 -4.7954000000e-03  2.3343000000e-03 -1.3338000000e-03  3.9656000000e-03 -4.7369000000e-03 -4.4679000000e-03 -9.8833000000e-03 -2.3065000000e-03 -2.8604000000e-03 -1.1936000000e-03  5.2415000000e-03  5.5460000000e-03  7.5789000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5799400000e-01  4.2450600000e-01  4.0183500000e-01  6.3848500000e-01  7.0438500000e-01 -1.1139700000e-01 -1.2132720000e+00 -1.0334900000e+00 -2.3715510000e+00 -1.9726500000e+00 -1.5761040000e+00 -2.5840300000e+00 -1.1598540000e+00 -1.0590030000e+00 -1.4161840000e+00
-ENERGY -1.526576077149e+02
-FORCES  1.8667000000e-03  5.9295000000e-03 -2.8069000000e-03  2.3352000000e-03 -3.7250000000e-03 -3.1307000000e-03 -2.8262000000e-03 -2.3632000000e-03  2.4000000000e-03  2.6044000000e-03  1.1350000000e-04  6.3200000000e-03  2.8272000000e-03  2.5379000000e-03  2.5258000000e-03 -6.8074000000e-03 -2.4927000000e-03 -5.3083000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2302500000e-01 -6.2682700000e-01  2.3556000000e-02  7.8102100000e-01 -5.3910400000e-01 -1.2492400000e-01 -8.4302600000e-01  1.2310860000e+00 -2.1966680000e+00 -5.2150500000e-01  8.2821600000e-01 -1.3901000000e+00 -1.3203230000e+00  2.0072810000e+00 -1.9035110000e+00
-ENERGY -1.526596221773e+02
-FORCES -8.0670000000e-04 -4.3910000000e-04 -6.4038000000e-03  4.1912000000e-03  4.8668000000e-03 -2.2453000000e-03 -5.1369000000e-03  2.2155000000e-03  4.9530000000e-04  6.8642000000e-03 -5.5200000000e-03  1.6051900000e-02 -6.3465000000e-03  1.8372000000e-03 -8.4772000000e-03  1.2348000000e-03 -2.9603000000e-03  5.7910000000e-04
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7727300000e-01 -2.1866000000e-01  7.3155700000e-01  5.6972200000e-01  6.8919300000e-01  3.4155700000e-01 -9.7133200000e-01  9.8935200000e-01 -2.3487530000e+00 -5.6895300000e-01  5.7316000000e-01 -1.5864500000e+00 -1.7788720000e+00  1.3775000000e+00 -2.0119250000e+00
-ENERGY -1.526597715611e+02
-FORCES -2.9462000000e-03  3.0375000000e-03 -8.4660000000e-04  3.3660000000e-03  2.2692000000e-03 -3.0212000000e-03 -4.2099000000e-03 -3.4241000000e-03 -1.9595000000e-03  2.7104000000e-03 -5.7674000000e-03  1.4502500000e-02 -9.5380000000e-04  4.8496000000e-03 -8.1763000000e-03  2.0335000000e-03 -9.6480000000e-04 -4.9900000000e-04
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2326200000e-01 -4.1794700000e-01 -2.5257000000e-01 -7.5542000000e-02  7.5413500000e-01 -5.8464200000e-01  2.7347860000e+00  1.7154410000e+00 -8.1900300000e-01  3.0471930000e+00  8.9861800000e-01 -4.2985800000e-01  2.4425730000e+00  1.4670860000e+00 -1.6960230000e+00
-ENERGY -1.526528858162e+02
-FORCES  4.5707000000e-03  4.3536000000e-03 -2.8504000000e-03 -2.0072000000e-03  4.7370000000e-04  5.9090000000e-04 -1.2061000000e-03 -4.2576000000e-03  9.7760000000e-04  1.7624000000e-03 -3.6049000000e-03 -1.0497000000e-03 -2.5974000000e-03  2.6212000000e-03 -2.4286000000e-03 -5.2240000000e-04  4.1410000000e-04  4.7603000000e-03
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2902600000e-01  6.1950900000e-01  3.1007000000e-02  1.4494300000e-01 -5.7883000000e-01  7.4845100000e-01  8.3847000000e-01 -1.2100430000e+00  2.2632820000e+00  2.1270500000e-01 -1.6199210000e+00  2.8604840000e+00  1.2441570000e+00 -5.1462200000e-01  2.7810090000e+00
-ENERGY -1.526586462421e+02
-FORCES  7.7673000000e-03 -6.9466000000e-03  1.4003500000e-02 -1.8139000000e-03 -9.4710000000e-04  4.7890000000e-04 -4.5597000000e-03  3.2092000000e-03 -6.9377000000e-03 -2.2068000000e-03  5.2472000000e-03 -1.3565000000e-03  3.0904000000e-03  3.0274000000e-03 -3.4271000000e-03 -2.2774000000e-03 -3.5900000000e-03 -2.7611000000e-03
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5561000000e-01  7.2189000000e-02 -4.2302800000e-01 -5.3418500000e-01  6.7249400000e-01 -4.2264700000e-01 -2.8637340000e+00  1.5680320000e+00  1.8832780000e+00 -2.7267440000e+00  9.0297100000e-01  1.2086230000e+00 -3.5744310000e+00  2.1117780000e+00  1.5434510000e+00
-ENERGY -1.526540379428e+02
-FORCES  2.9968000000e-03  3.6734000000e-03 -3.1095000000e-03 -3.5701000000e-03 -3.4760000000e-04  1.5894000000e-03  6.3700000000e-04 -3.7791000000e-03  1.8115000000e-03 -2.4305000000e-03 -1.6955000000e-03 -3.0123000000e-03 -9.9040000000e-04  4.3167000000e-03  1.5991000000e-03  3.3571000000e-03 -2.1678000000e-03  1.1217000000e-03
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7311800000e-01 -3.8190800000e-01  5.6328500000e-01  6.5989400000e-01 -6.8805400000e-01 -8.5750000000e-02  1.4861380000e+00  1.3490340000e+00  1.7511110000e+00  1.0119730000e+00  9.0131300000e-01  1.0504370000e+00  1.9140200000e+00  6.4540100000e-01  2.2390140000e+00
-ENERGY -1.526565640033e+02
-FORCES  1.2832000000e-03 -1.6140000000e-04  6.3486000000e-03  5.2379000000e-03  1.6526000000e-03 -2.6533000000e-03 -1.9192000000e-03  6.5280000000e-03  4.4160000000e-03 -1.0452300000e-02 -9.2994000000e-03 -1.2076900000e-02  8.2864000000e-03  7.8380000000e-04  6.9595000000e-03 -2.4359000000e-03  4.9630000000e-04 -2.9938000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5885000000e-01  3.9685500000e-01  1.4530900000e-01  4.6315900000e-01  6.2692900000e-01 -5.5558600000e-01  1.0499280000e+00 -1.3431900000e+00  2.2566790000e+00  1.6977600000e-01 -1.7192300000e+00  2.2441260000e+00  1.0974160000e+00 -8.1681400000e-01  1.4586150000e+00
-ENERGY -1.526590600821e+02
-FORCES -2.3070000000e-03  2.5226000000e-03  1.6280000000e-03  3.9595000000e-03 -1.9363000000e-03 -1.5377000000e-03 -1.9120000000e-03 -3.0226000000e-03  3.7107000000e-03 -7.3444000000e-03  4.3584000000e-03 -1.0721400000e-02  1.8365000000e-03  3.8820000000e-04  1.9184000000e-03  5.7674000000e-03 -2.3103000000e-03  5.0020000000e-03
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8308400000e-01 -2.4475600000e-01 -6.2427700000e-01 -6.0779500000e-01  5.3752500000e-01 -5.0782200000e-01  6.3108200000e-01  1.4077320000e+00  2.2117890000e+00  5.2243900000e-01  8.7481000000e-01  1.4241190000e+00  1.4723890000e+00  1.8476610000e+00  2.0897400000e+00
-ENERGY -1.526599502249e+02
-FORCES  3.0030000000e-04  4.1694000000e-03  9.3580000000e-04 -3.4023000000e-03  2.6634000000e-03  3.3623000000e-03  4.3591000000e-03 -3.0125000000e-03  2.0612000000e-03 -1.8267000000e-03 -8.2955000000e-03 -1.3094800000e-02  2.9577000000e-03  6.5524000000e-03  8.0047000000e-03 -2.3880000000e-03 -2.0771000000e-03 -1.2692000000e-03
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9428700000e-01  5.1447700000e-01 -6.3814300000e-01 -6.1744800000e-01 -6.6677100000e-01  3.0067600000e-01 -1.5728860000e+00  1.3002480000e+00 -1.7855850000e+00 -8.1699100000e-01  1.5507610000e+00 -2.3167140000e+00 -1.8993180000e+00  4.9920800000e-01 -2.1954740000e+00
-ENERGY -1.526573320546e+02
-FORCES -1.3311800000e-02  8.1588000000e-03 -8.4310000000e-03  8.9166000000e-03 -5.5970000000e-03  1.0900000000e-03  1.2952000000e-03  1.5852000000e-03 -2.0191000000e-03  2.6977000000e-03 -3.7840000000e-03 -1.5766000000e-03 -2.9805000000e-03 -3.8165000000e-03  6.4178000000e-03  3.3827000000e-03  3.4535000000e-03  4.5189000000e-03
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0874800000e-01 -1.6477500000e-01  6.2189800000e-01  5.2530200000e-01 -7.9999300000e-01  1.7321000000e-02 -1.0940990000e+00  9.2572800000e-01 -2.3766220000e+00 -6.2110200000e-01  1.7422990000e+00 -2.5369890000e+00 -8.6085800000e-01  6.8541100000e-01 -1.4799180000e+00
-ENERGY -1.526605116694e+02
-FORCES  5.0280000000e-04 -3.9440000000e-03 -2.4229000000e-03  3.0513000000e-03  1.0000000000e-03 -4.9983000000e-03 -2.8379000000e-03  3.7316000000e-03  1.8547000000e-03  7.5529000000e-03 -2.2931000000e-03  1.0872300000e-02 -1.1424000000e-03 -2.4146000000e-03  6.5320000000e-04 -7.1267000000e-03  3.9201000000e-03 -5.9590000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4920600000e-01 -6.5010900000e-01  6.5687600000e-01  4.4380900000e-01  8.0203500000e-01  2.7569100000e-01  1.5098050000e+00 -7.0542400000e-01 -2.0749440000e+00  7.5075400000e-01 -3.8426600000e-01 -1.5881870000e+00  1.1390010000e+00 -1.1031320000e+00 -2.8627030000e+00
-ENERGY -1.526600858549e+02
-FORCES  8.3102000000e-03 -3.3829000000e-03 -1.0651000000e-03 -1.6633000000e-03  4.1236000000e-03 -2.2290000000e-03 -1.9047000000e-03 -4.6251000000e-03 -1.9702000000e-03 -9.8701000000e-03  3.5806000000e-03  1.0207300000e-02  5.9934000000e-03 -1.1319000000e-03 -8.9459000000e-03 -8.6550000000e-04  1.4357000000e-03  4.0029000000e-03
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5712600000e-01  2.1487800000e-01 -6.6200100000e-01 -3.7155200000e-01 -8.3241400000e-01 -2.9200600000e-01 -2.4800210000e+00 -1.4921840000e+00  1.2289680000e+00 -2.4906300000e+00 -1.1316510000e+00  2.1156100000e+00 -1.8367340000e+00 -2.2000570000e+00  1.2654200000e+00
-ENERGY -1.526544993701e+02
-FORCES -1.6155000000e-03 -2.4812000000e-03 -3.7922000000e-03 -3.1684000000e-03 -1.0658000000e-03  2.8495000000e-03  4.7580000000e-03  1.6611000000e-03  8.4700000000e-04  2.8396000000e-03  1.0848000000e-03  5.7497000000e-03 -1.0266000000e-03 -2.5927000000e-03 -3.1858000000e-03 -1.7871000000e-03  3.3937000000e-03 -2.4681000000e-03
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9786800000e-01  6.4816400000e-01 -9.5370000000e-02  3.0576900000e-01 -5.8115600000e-01  6.9641600000e-01 -2.2633500000e+00  1.9444790000e+00 -5.2847900000e-01 -2.1719370000e+00  2.8222150000e+00 -1.5773100000e-01 -1.6450860000e+00  1.4085510000e+00 -3.1727000000e-02
-ENERGY -1.526593211019e+02
-FORCES  5.9070000000e-03 -2.2275000000e-03  7.5630000000e-04 -4.5125000000e-03 -2.4149000000e-03  1.8144000000e-03 -1.0642000000e-03  3.2168000000e-03 -3.3733000000e-03  4.4817000000e-03 -3.2330000000e-03  3.5082000000e-03  7.9810000000e-04 -3.4291000000e-03 -1.1907000000e-03 -5.6100000000e-03  8.0878000000e-03 -1.5149000000e-03
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7148000000e-02 -5.8282400000e-01 -7.5429000000e-01 -7.7993400000e-01  5.5391700000e-01 -3.3343000000e-02 -2.7536220000e+00 -1.7473770000e+00  1.1799390000e+00 -2.5574430000e+00 -9.4741600000e-01  1.6675950000e+00 -3.4946530000e+00 -2.1361160000e+00  1.6446840000e+00
-ENERGY -1.526550329786e+02
-FORCES -4.2016000000e-03 -2.0846000000e-03 -4.1575000000e-03  1.5189000000e-03  3.3183000000e-03  2.3343000000e-03  3.0275000000e-03 -1.6247000000e-03  1.5101000000e-03 -1.1977000000e-03  1.2452000000e-03  4.9461000000e-03 -2.4325000000e-03 -2.5213000000e-03 -2.6687000000e-03  3.2854000000e-03  1.6670000000e-03 -1.9643000000e-03
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8781100000e-01 -4.8220000000e-01 -8.0525900000e-01  7.5497700000e-01  5.4652000000e-01 -2.1807800000e-01  1.2281800000e+00 -1.5425130000e+00  1.8654070000e+00  7.9046500000e-01 -9.9189800000e-01  1.2162070000e+00  5.4826400000e-01 -1.7411260000e+00  2.5092230000e+00
-ENERGY -1.526605756182e+02
-FORCES  3.1465000000e-03 -2.6541000000e-03 -9.9300000000e-04  1.6673000000e-03  2.8710000000e-03  4.3606000000e-03 -3.6034000000e-03 -5.2535000000e-03  2.1977000000e-03 -1.0360600000e-02  8.6989000000e-03 -9.2085000000e-03  7.8166000000e-03 -4.2878000000e-03  5.9495000000e-03  1.3336000000e-03  6.2550000000e-04 -2.3064000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2238100000e-01  5.2407500000e-01 -7.3324500000e-01 -7.8473100000e-01 -4.0627800000e-01  3.6792400000e-01  8.2159000000e-02 -2.5083500000e+00  2.5558080000e+00  8.0092000000e-01 -1.8787220000e+00  2.4993870000e+00  6.6798000000e-02 -2.9325380000e+00  1.6978690000e+00
-ENERGY -1.526571746271e+02
-FORCES -5.0656000000e-03  1.5775000000e-03 -1.4574000000e-03  1.0307000000e-03 -2.3414000000e-03  3.0842000000e-03  3.9283000000e-03  1.6200000000e-03 -2.9238000000e-03  4.8866000000e-03  6.9420000000e-04 -3.5772000000e-03 -3.5090000000e-03 -3.3102000000e-03  1.2515000000e-03 -1.2711000000e-03  1.7599000000e-03  3.6227000000e-03
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3178000000e-01 -3.7775100000e-01 -4.8788700000e-01  4.1363800000e-01  5.4795800000e-01  6.6699100000e-01  1.0845880000e+00  1.4434720000e+00  2.1602220000e+00  1.8214900000e-01  1.7585010000e+00  2.1093030000e+00  1.1868770000e+00  1.1538360000e+00  3.0667970000e+00
-ENERGY -1.526586009151e+02
-FORCES  9.2465000000e-03  3.2711000000e-03  7.0005000000e-03 -2.1401000000e-03  8.0830000000e-04  1.5165000000e-03 -8.9122000000e-03  1.5466000000e-03 -4.6297000000e-03 -2.9471000000e-03 -2.6542000000e-03  3.7588000000e-03  5.5710000000e-03 -5.6731000000e-03 -3.7603000000e-03 -8.1800000000e-04  2.7013000000e-03 -3.8859000000e-03
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8365100000e-01 -6.9505000000e-02  8.2309300000e-01 -5.8096500000e-01  4.9369000000e-01 -5.7877500000e-01  1.6178290000e+00  1.6198100000e+00  1.7915380000e+00  2.1097160000e+00  2.3338540000e+00  1.3860500000e+00  1.1681440000e+00  1.1935530000e+00  1.0619360000e+00
-ENERGY -1.526606350825e+02
-FORCES -6.1616000000e-03 -7.3890000000e-04  4.5630000000e-04  4.7023000000e-03  2.7126000000e-03 -4.6372000000e-03  3.4161000000e-03 -1.8083000000e-03  3.4287000000e-03 -1.9818000000e-03 -3.5220000000e-03 -8.7817000000e-03 -2.1584000000e-03 -2.3822000000e-03  5.1840000000e-04  2.1835000000e-03  5.7390000000e-03  9.0156000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8943400000e-01 -3.7934900000e-01 -5.4498400000e-01  4.4948300000e-01  2.7387600000e-01  7.9949300000e-01 -1.6084480000e+00  1.3677360000e+00 -1.7752590000e+00 -2.1139490000e+00  2.0103440000e+00 -1.2775090000e+00 -1.2369990000e+00  7.8764200000e-01 -1.1106170000e+00
-ENERGY -1.526601782125e+02
-FORCES  1.6820000000e-03  4.0344000000e-03 -2.2646000000e-03 -3.3138000000e-03  1.9587000000e-03  3.4634000000e-03 -8.9300000000e-04 -2.0222000000e-03 -3.8365000000e-03  5.8821000000e-03 -4.4913000000e-03  1.0820700000e-02  1.8070000000e-03 -1.8231000000e-03 -7.9600000000e-04 -5.1642000000e-03  2.3435000000e-03 -7.3869000000e-03
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4854400000e-01  6.7994000000e-01  5.0271500000e-01 -4.4293500000e-01  4.7448100000e-01 -7.0349700000e-01 -1.1604390000e+00  1.2845270000e+00 -2.1778950000e+00 -1.1168250000e+00  8.7570900000e-01 -3.0423000000e+00 -2.0497500000e+00  1.6342080000e+00 -2.1223960000e+00
-ENERGY -1.526617011203e+02
-FORCES -3.9103000000e-03  7.6764000000e-03 -9.1705000000e-03 -1.8209000000e-03 -1.4024000000e-03 -1.7622000000e-03  3.6901000000e-03 -4.3648000000e-03  8.6180000000e-03 -9.2690000000e-04 -2.8164000000e-03 -7.1780000000e-04 -1.5736000000e-03  2.8433000000e-03  3.9084000000e-03  4.5415000000e-03 -1.9361000000e-03 -8.7590000000e-04
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5901700000e-01  8.1936800000e-01 -1.8485600000e-01 -3.5447300000e-01 -2.7270900000e-01 -8.4629200000e-01 -1.3141720000e+00 -1.5797540000e+00 -1.8516850000e+00 -1.7959900000e+00 -1.2163940000e+00 -2.5946880000e+00 -6.3555400000e-01 -2.1252540000e+00 -2.2493520000e+00
-ENERGY -1.526592811148e+02
-FORCES -5.4806000000e-03 -4.7282000000e-03 -7.7096000000e-03 -2.3789000000e-03 -3.4009000000e-03 -1.3576000000e-03  7.0848000000e-03  7.1881000000e-03  5.0097000000e-03  2.5530000000e-04 -2.6927000000e-03 -1.7853000000e-03  3.8334000000e-03 -8.4060000000e-04  4.0973000000e-03 -3.3140000000e-03  4.4744000000e-03  1.7455000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5051700000e-01 -3.2663100000e-01  4.9625400000e-01 -3.6627800000e-01  2.6128900000e-01 -8.4486700000e-01 -9.6522100000e-01  1.0231910000e+00 -2.4802290000e+00 -1.2127910000e+00  2.7429800000e-01 -3.0225390000e+00 -1.7207950000e+00  1.6094140000e+00 -2.5212470000e+00
-ENERGY -1.526606729894e+02
-FORCES -5.6952000000e-03  4.2378000000e-03 -8.5706000000e-03  1.7194000000e-03  1.2160000000e-03 -2.2861000000e-03  3.0882000000e-03 -6.4598000000e-03  8.3905000000e-03 -3.1774000000e-03  1.2391000000e-03 -1.6366000000e-03  7.9310000000e-04  3.5814000000e-03  4.5601000000e-03  3.2718000000e-03 -3.8145000000e-03 -4.5740000000e-04
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8613100000e-01 -6.3144600000e-01 -2.1617700000e-01 -2.2028600000e-01  4.1066900000e-01 -8.3609600000e-01 -3.7041100000e+00 -2.3746700000e-01 -6.1139700000e-01 -4.1671790000e+00  8.1443000000e-02 -1.3860550000e+00 -3.2537830000e+00  5.3361300000e-01 -2.6661600000e-01
-ENERGY -1.526541835396e+02
-FORCES  1.8113000000e-03 -2.5971000000e-03 -4.6042000000e-03 -2.3858000000e-03  2.8825000000e-03  8.3470000000e-04  6.3870000000e-04 -5.5720000000e-04  3.7938000000e-03  7.5100000000e-05  4.2350000000e-03 -2.1140000000e-04  2.4574000000e-03 -1.3754000000e-03  2.9432000000e-03 -2.5968000000e-03 -2.5879000000e-03 -2.7561000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8336200000e-01 -4.2208600000e-01 -5.2066400000e-01  6.2388700000e-01  3.3108900000e-01 -6.4604700000e-01  2.4810090000e+00  2.2901620000e+00  1.2184770000e+00  2.9672320000e+00  1.7311730000e+00  6.1238300000e-01  2.0703760000e+00  1.6798430000e+00  1.8309510000e+00
-ENERGY -1.526553789948e+02
-FORCES -1.3398000000e-03  3.6250000000e-04 -5.3085000000e-03  2.9601000000e-03  1.8701000000e-03  2.0159000000e-03 -1.7290000000e-03 -2.6392000000e-03  2.7861000000e-03 -6.2370000000e-04 -5.2565000000e-03  1.4082000000e-03 -2.4407000000e-03  2.3364000000e-03  1.2743000000e-03  3.1731000000e-03  3.3268000000e-03 -2.1760000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2248100000e-01 -6.9653600000e-01 -3.9759600000e-01  4.4096700000e-01 -4.2190600000e-01  7.3741100000e-01  1.4886740000e+00  7.2084900000e-01 -2.1589070000e+00  2.3957100000e+00  9.7395700000e-01 -1.9872850000e+00  1.1570220000e+00  4.2657000000e-01 -1.3105920000e+00
-ENERGY -1.526598900532e+02
-FORCES -6.7040000000e-04 -2.7029000000e-03 -2.2810000000e-03  4.1873000000e-03  3.6649000000e-03  2.4577000000e-03 -1.1122000000e-03  2.2439000000e-03 -5.2091000000e-03 -6.3607000000e-03 -2.0555000000e-03  1.2442600000e-02 -3.1730000000e-03 -1.4255000000e-03  1.4864000000e-03  7.1289000000e-03  2.7500000000e-04 -8.8966000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6244000000e-01  7.5927500000e-01  3.5480100000e-01 -3.4876300000e-01  3.0181000000e-01 -8.3875300000e-01  2.3110500000e+00 -1.5722930000e+00 -3.5556300000e-01  1.4181470000e+00 -1.2282720000e+00 -3.3095200000e-01  2.5109110000e+00 -1.6545860000e+00 -1.2880410000e+00
-ENERGY -1.526605294635e+02
-FORCES  2.5082000000e-03  4.8647000000e-03 -4.4160000000e-04 -2.9551000000e-03 -3.8583000000e-03 -2.7271000000e-03  3.2625000000e-03 -2.1608000000e-03  3.6940000000e-03 -1.0521600000e-02  5.1744000000e-03 -6.6800000000e-04  9.4171000000e-03 -5.2312000000e-03 -2.5424000000e-03 -1.7109000000e-03  1.2112000000e-03  2.6851000000e-03
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5445300000e-01  2.2200100000e-01 -8.6099400000e-01  6.3999400000e-01 -6.9004200000e-01 -1.7459100000e-01 -2.5452200000e+00 -2.3657640000e+00 -1.3702540000e+00 -1.9354960000e+00 -2.1367780000e+00 -2.0717060000e+00 -1.9896870000e+00 -2.7179320000e+00 -6.7484600000e-01
-ENERGY -1.526534874191e+02
-FORCES  6.9520000000e-04 -5.3850000000e-04 -4.0710000000e-03  2.3460000000e-03 -1.4732000000e-03  3.1867000000e-03 -3.4580000000e-03  2.0857000000e-03  5.2900000000e-04  4.6278000000e-03 -4.2810000000e-04  1.3650000000e-03 -2.0110000000e-03 -1.5250000000e-04  2.7679000000e-03 -2.2000000000e-03  5.0660000000e-04 -3.7776000000e-03
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8836000000e-01  4.4829700000e-01 -7.5129100000e-01 -7.4914100000e-01 -2.7981600000e-01  5.2604400000e-01 -2.2368940000e+00 -1.9645930000e+00 -1.3501530000e+00 -2.0216660000e+00 -2.4730010000e+00 -5.6821300000e-01 -3.0231050000e+00 -1.4747340000e+00 -1.1090250000e+00
-ENERGY -1.526536746026e+02
-FORCES -6.5369000000e-03 -1.3928000000e-03 -4.2482000000e-03  2.2777000000e-03  5.3660000000e-04  3.8411000000e-03  2.6085000000e-03  6.8230000000e-04 -8.7000000000e-05 -1.2706000000e-03 -2.1062000000e-03  3.5705000000e-03 -1.7238000000e-03  3.0941000000e-03 -2.6803000000e-03  4.6451000000e-03 -8.1400000000e-04 -3.9620000000e-04
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9386500000e-01 -7.7971000000e-01 -2.5373300000e-01  6.6837900000e-01  6.6722600000e-01  1.5591900000e-01  1.6081870000e+00 -2.1704030000e+00 -8.1264500000e-01  2.1154270000e+00 -2.5924810000e+00 -1.1925600000e-01  1.1378490000e+00 -2.8881330000e+00 -1.2367650000e+00
-ENERGY -1.526615009131e+02
-FORCES  9.4589000000e-03 -7.7226000000e-03 -4.0474000000e-03 -6.8305000000e-03  7.1135000000e-03  3.4358000000e-03 -1.5994000000e-03 -2.1098000000e-03  6.6800000000e-05 -7.6440000000e-04 -2.7995000000e-03  1.2292000000e-03 -2.8335000000e-03  2.0100000000e-03 -3.7580000000e-03  2.5689000000e-03  3.5083000000e-03  3.0737000000e-03
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9086000000e-02 -6.1779800000e-01  7.3008900000e-01  7.0828400000e-01  6.2036100000e-01  1.7238700000e-01  2.0409260000e+00  1.7463820000e+00  5.7464900000e-01  1.6795250000e+00  2.0321140000e+00  1.4136830000e+00  1.6977330000e+00  2.3745220000e+00 -6.0875000000e-02
-ENERGY -1.526584998928e+02
-FORCES  1.3952500000e-02  6.3526000000e-03  4.7748000000e-03  5.6000000000e-06  2.6442000000e-03 -1.3238000000e-03 -1.0468900000e-02 -1.3701000000e-03 -2.3719000000e-03 -3.2808000000e-03  2.7278000000e-03  5.0070000000e-04  2.5900000000e-04 -3.7494000000e-03 -5.5277000000e-03 -4.6730000000e-04 -6.6052000000e-03  3.9481000000e-03
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0192600000e-01 -3.7109600000e-01 -5.3462100000e-01 -5.3974900000e-01 -7.5218800000e-01  2.4313600000e-01  3.6804300000e-01 -3.4947410000e+00 -5.0010600000e-01 -3.8452300000e-01 -3.7760620000e+00  2.0215000000e-02 -1.4022000000e-02 -3.1445560000e+00 -1.3048600000e+00
-ENERGY -1.526554387714e+02
-FORCES  2.5276000000e-03 -6.4181000000e-03  1.4000000000e-05 -3.3090000000e-03  2.9644000000e-03  6.4990000000e-04 -7.8300000000e-05  3.7493000000e-03 -1.3039000000e-03 -4.3755000000e-03 -2.7767000000e-03 -1.6627000000e-03  3.2076000000e-03  2.4621000000e-03 -2.2684000000e-03  2.0276000000e-03  1.9000000000e-05  4.5711000000e-03
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1426300000e-01 -5.1410200000e-01  3.7651000000e-01  4.2904100000e-01  7.7074500000e-01 -3.7162800000e-01  3.1806100000e-01  2.4546280000e+00  2.2431840000e+00  1.1640690000e+00  2.0299030000e+00  2.3849920000e+00 -3.2686300000e-01  1.8016270000e+00  2.5150200000e+00
-ENERGY -1.526553257559e+02
-FORCES  4.5952000000e-03  3.0437000000e-03 -7.9180000000e-04 -2.9409000000e-03  2.5095000000e-03 -4.1680000000e-04 -1.0994000000e-03 -4.7823000000e-03  5.7860000000e-04 -9.6280000000e-04 -6.2461000000e-03  1.1849000000e-03 -2.6768000000e-03  1.6499000000e-03 -1.3376000000e-03  3.0847000000e-03  3.8251000000e-03  7.8270000000e-04
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0728800000e-01  3.6406700000e-01  6.4411800000e-01  3.8573400000e-01 -7.5961000000e-01  4.3638700000e-01 -8.7315900000e-01 -1.1979710000e+00 -2.3968000000e+00 -6.8910900000e-01 -6.2853400000e-01 -1.6497390000e+00 -8.2629100000e-01 -6.1870100000e-01 -3.1573790000e+00
-ENERGY -1.526619874799e+02
-FORCES -2.6250000000e-04 -3.3526000000e-03  3.0383000000e-03  3.0388000000e-03 -2.2824000000e-03 -3.1715000000e-03 -2.6567000000e-03  4.4549000000e-03 -1.5111000000e-03  3.6768000000e-03  7.1477000000e-03  7.6876000000e-03 -3.7149000000e-03 -5.0220000000e-03 -9.1321000000e-03 -8.1600000000e-05 -9.4560000000e-04  3.0889000000e-03
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0149600000e-01  6.4897800000e-01  5.4429000000e-02 -2.7204700000e-01 -5.8900200000e-01 -7.0377500000e-01 -1.6553970000e+00 -1.6220460000e+00 -1.8553620000e+00 -2.0427220000e+00 -8.4796900000e-01 -2.2640370000e+00 -8.6179500000e-01 -1.7899930000e+00 -2.3635170000e+00
-ENERGY -1.526563623321e+02
-FORCES -9.4968000000e-03 -4.5815000000e-03 -4.3686000000e-03  2.6088000000e-03 -1.1222000000e-03 -4.9660000000e-04  7.5245000000e-03  4.2477000000e-03  1.3200000000e-04 -1.2720000000e-03  9.3260000000e-04 -5.1374000000e-03  3.2389000000e-03 -3.0485000000e-03  3.6257000000e-03 -2.6034000000e-03  3.5719000000e-03  6.2450000000e-03
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5203500000e-01  6.9854200000e-01  5.5863000000e-02 -5.4381100000e-01  1.1645300000e-01  7.7906400000e-01 -1.2853780000e+00 -1.7647220000e+00 -1.6677850000e+00 -9.6329500000e-01 -9.6013200000e-01 -1.2614230000e+00 -1.6711140000e+00 -1.4777770000e+00 -2.4954930000e+00
-ENERGY -1.526601973905e+02
-FORCES  2.2740000000e-04 -2.6280000000e-04  5.2880000000e-04 -3.4641000000e-03 -2.9670000000e-03  1.1604000000e-03  2.8510000000e-03  2.5020000000e-04 -4.5775000000e-03  5.4430000000e-03  8.1285000000e-03  4.3022000000e-03 -7.0098000000e-03 -5.5560000000e-03 -4.4622000000e-03  1.9524000000e-03  4.0710000000e-04  3.0482000000e-03
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3652900000e-01 -6.3187600000e-01 -3.3435900000e-01  5.2512800000e-01  6.3435800000e-01  4.8791600000e-01 -1.7124270000e+00 -8.8424700000e-01  2.3086130000e+00 -1.0995320000e+00 -1.4056500000e+00  2.8270060000e+00 -1.2464490000e+00 -7.0869400000e-01  1.4911310000e+00
-ENERGY -1.526608259561e+02
-FORCES  5.7549000000e-03  1.7843000000e-03 -1.3191000000e-03 -2.9879000000e-03  3.0568000000e-03  2.6729000000e-03 -2.5477000000e-03 -4.3805000000e-03 -2.0301000000e-03  6.2167000000e-03  2.9440000000e-04 -6.4753000000e-03 -1.4728000000e-03  1.9054000000e-03 -1.8070000000e-03 -4.9632000000e-03 -2.6603000000e-03  8.9586000000e-03
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6660100000e-01  2.2044700000e-01 -6.5059900000e-01  4.6339500000e-01 -5.3050500000e-01  6.4812100000e-01 -1.9081250000e+00  1.9798730000e+00  8.1416800000e-01 -1.3579200000e+00  1.2333440000e+00  5.7710300000e-01 -1.3039690000e+00  2.6063120000e+00  1.2126670000e+00
-ENERGY -1.526611748375e+02
-FORCES  2.9781000000e-03  3.0740000000e-04 -6.2160000000e-04 -2.2103000000e-03 -1.7545000000e-03  3.9859000000e-03 -1.5527000000e-03  3.2056000000e-03 -3.4684000000e-03  9.3212000000e-03 -6.2167000000e-03 -2.2075000000e-03 -6.9157000000e-03  6.0444000000e-03  3.3872000000e-03 -1.6206000000e-03 -1.5861000000e-03 -1.0757000000e-03
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8241200000e-01  2.6154800000e-01  8.3760700000e-01 -5.9618600000e-01 -7.1540800000e-01  2.2132800000e-01  1.4391620000e+00  1.4673380000e+00  1.9171910000e+00  8.8599200000e-01  2.1774080000e+00  2.2428200000e+00  1.8232500000e+00  1.0819080000e+00  2.7046880000e+00
-ENERGY -1.526600945844e+02
-FORCES  4.9197000000e-03  3.7462000000e-03  7.6532000000e-03 -7.0640000000e-03 -6.6287000000e-03 -5.7910000000e-03  2.6431000000e-03  2.9048000000e-03  9.5750000000e-04 -3.7000000000e-05  3.2111000000e-03  2.2607000000e-03  2.7716000000e-03 -4.5715000000e-03 -9.2020000000e-04 -3.2334000000e-03  1.3381000000e-03 -4.1602000000e-03
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0976800000e-01  1.9283900000e-01 -2.2664100000e-01 -2.2967800000e-01 -7.5093700000e-01 -5.4733400000e-01 -8.7681300000e-01 -2.3748090000e+00 -1.0845890000e+00 -1.3735360000e+00 -2.4724450000e+00 -2.7220700000e-01 -1.4799350000e+00 -1.9341540000e+00 -1.6831700000e+00
-ENERGY -1.526595623044e+02
-FORCES  2.9000000000e-06 -1.2405200000e-02 -6.5284000000e-03 -2.9595000000e-03 -1.3728000000e-03 -9.8200000000e-05 -1.8088000000e-03  1.0114800000e-02  3.2917000000e-03 -4.2424000000e-03  6.4130000000e-04  3.5586000000e-03  3.3385000000e-03  2.3422000000e-03 -5.2173000000e-03  5.6693000000e-03  6.7970000000e-04  4.9936000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9770300000e-01  6.1241100000e-01 -4.2887700000e-01  5.6508700000e-01 -7.0448200000e-01  3.1719600000e-01  1.5216210000e+00  2.0543010000e+00 -1.0284420000e+00  2.0825180000e+00  2.4974980000e+00 -3.9188700000e-01  1.0254710000e+00  2.7599020000e+00 -1.4434050000e+00
-ENERGY -1.526611321441e+02
-FORCES  8.7151000000e-03  8.2960000000e-03 -5.1866000000e-03 -5.4001000000e-03 -8.3145000000e-03  3.8288000000e-03 -5.2200000000e-04  3.1482000000e-03 -8.8140000000e-04 -3.3715000000e-03  1.3325000000e-03  3.1923000000e-03 -2.7484000000e-03 -1.7129000000e-03 -3.5751000000e-03  3.3270000000e-03 -2.7494000000e-03  2.6220000000e-03
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0229300000e-01  3.5349300000e-01  7.9337000000e-01  6.6304700000e-01  6.4674500000e-01 -2.4149700000e-01 -4.3787500000e-01  3.6050900000e+00  5.2067700000e-01  3.4475000000e-02  3.9158540000e+00 -2.5168500000e-01 -1.0100680000e+00  4.3337270000e+00  7.6133400000e-01
-ENERGY -1.526562686849e+02
-FORCES  2.3110000000e-04  6.3184000000e-03  2.9713000000e-03  1.5156000000e-03 -3.6317000000e-03 -2.6263000000e-03 -1.4373000000e-03 -3.3138000000e-03 -2.6770000000e-04 -1.3136000000e-03  5.3129000000e-03 -2.3985000000e-03 -1.5008000000e-03 -1.7433000000e-03  3.4137000000e-03  2.5051000000e-03 -2.9423000000e-03 -1.0924000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3697600000e-01  6.5106800000e-01 -4.5166300000e-01 -4.3826200000e-01 -4.7920900000e-01 -7.0321900000e-01 -9.8471300000e-01  3.1451400000e+00  1.2722550000e+00 -1.3773100000e+00  2.7349230000e+00  5.0165700000e-01 -1.6592860000e+00  3.7419240000e+00  1.5963420000e+00
-ENERGY -1.526544104804e+02
-FORCES  2.4127000000e-03 -1.9520000000e-04 -3.9246000000e-03 -3.4059000000e-03 -2.8855000000e-03  1.2228000000e-03  1.2903000000e-03  2.6794000000e-03  3.1574000000e-03 -4.6802000000e-03 -8.4380000000e-04 -1.2446000000e-03  1.7214000000e-03  3.7972000000e-03  2.1290000000e-03  2.6618000000e-03 -2.5521000000e-03 -1.3400000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8875400000e-01 -9.4849000000e-02  5.3395000000e-01 -3.1879200000e-01  3.1812600000e-01 -8.4463000000e-01 -1.5351510000e+00  1.4837230000e+00 -2.1471720000e+00 -8.9789100000e-01  2.1380390000e+00 -2.4335290000e+00 -1.9516960000e+00  1.8744980000e+00 -1.3790460000e+00
-ENERGY -1.526594425254e+02
-FORCES -6.9172000000e-03  1.5772000000e-03 -6.2028000000e-03  2.4097000000e-03  1.3534000000e-03 -1.4167000000e-03  5.1209000000e-03 -2.0034000000e-03  7.6986000000e-03 -8.9590000000e-04  6.8626000000e-03  5.8910000000e-04 -2.7452000000e-03 -4.1398000000e-03  2.2079000000e-03  3.0277000000e-03 -3.6499000000e-03 -2.8761000000e-03
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0116000000e-01 -6.2467900000e-01  5.2425800000e-01  5.6826900000e-01  7.6733400000e-01 -6.7090000000e-02  2.4539700000e-01  2.4992300000e+00 -3.1460530000e+00  6.0054300000e-01  3.1969720000e+00 -2.5953630000e+00 -2.4681400000e-01  2.9579050000e+00 -3.8269180000e+00
-ENERGY -1.526534258297e+02
-FORCES  4.5126000000e-03  8.6590000000e-04  6.0810000000e-04 -2.1266000000e-03  2.5025000000e-03 -2.1053000000e-03 -2.0405000000e-03 -2.8561000000e-03  1.6189000000e-03 -1.4923000000e-03  4.6824000000e-03 -1.3084000000e-03 -1.1257000000e-03 -3.4300000000e-03 -1.5438000000e-03  2.2725000000e-03 -1.7649000000e-03  2.7305000000e-03
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0176400000e-01 -3.9538500000e-01  6.3070000000e-01  6.1144100000e-01 -7.0245400000e-01 -2.2120200000e-01  9.8230900000e-01  2.1914800000e+00  1.5909140000e+00  1.8055220000e+00  2.5209690000e+00  1.2303740000e+00  7.6185400000e-01  1.4411450000e+00  1.0389830000e+00
-ENERGY -1.526613819197e+02
-FORCES -1.2636000000e-03 -4.6535000000e-03  1.1998000000e-03  4.3168000000e-03  2.2944000000e-03 -3.0618000000e-03 -2.8677000000e-03  3.8837000000e-03  1.6557000000e-03 -1.4963000000e-03 -6.8761000000e-03 -8.2889000000e-03 -2.3143000000e-03 -1.8191000000e-03  6.8080000000e-04  3.6252000000e-03  7.1706000000e-03  7.8144000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4249500000e-01  1.3259000000e-01 -4.3457300000e-01 -5.2923200000e-01 -4.7345600000e-01 -6.4186000000e-01 -1.8851080000e+00 -1.4420420000e+00 -1.6473560000e+00 -2.3771810000e+00 -2.2614860000e+00 -1.6984180000e+00 -1.1861690000e+00 -1.5411390000e+00 -2.2938040000e+00
-ENERGY -1.526571911028e+02
-FORCES -5.0116000000e-03 -3.8785000000e-03 -4.3517000000e-03 -3.8001000000e-03 -1.6034000000e-03  4.9200000000e-05  8.9832000000e-03  4.0786000000e-03 -4.9320000000e-04 -1.3397000000e-03 -5.0037000000e-03 -4.4390000000e-04  2.2954000000e-03  3.8646000000e-03 -1.5582000000e-03 -1.1271000000e-03  2.5424000000e-03  6.7978000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0851700000e-01  2.6752600000e-01 -5.8537600000e-01  4.4363000000e-01 -4.1513200000e-01  7.3965500000e-01  4.5486700000e-01 -3.7347350000e+00  1.5113300000e-01 -1.7520200000e-01 -3.6271260000e+00  8.6363900000e-01  1.1420640000e+00 -4.2895130000e+00  5.2020400000e-01
-ENERGY -1.526542659274e+02
-FORCES  5.3916000000e-03 -2.4564000000e-03 -4.8140000000e-04 -2.7779000000e-03 -1.4250000000e-04  2.4709000000e-03 -2.3016000000e-03  2.6601000000e-03 -1.7382000000e-03 -1.0890000000e-03 -2.7080000000e-03  3.7873000000e-03  3.4514000000e-03 -2.7660000000e-04 -2.4739000000e-03 -2.6746000000e-03  2.9236000000e-03 -1.5647000000e-03
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0405900000e-01  4.6373700000e-01  2.3381500000e-01  1.6323000000e-01 -5.8526000000e-01  7.3963400000e-01 -1.0034350000e+00 -1.4002960000e+00 -1.9725520000e+00 -2.1152200000e-01 -1.6150340000e+00 -2.4654960000e+00 -6.9262500000e-01 -8.7191100000e-01 -1.2374070000e+00
-ENERGY -1.526577831791e+02
-FORCES -4.2398000000e-03 -5.7611000000e-03 -3.6204000000e-03  3.8854000000e-03 -5.7992000000e-03 -3.5049000000e-03 -1.7667000000e-03  3.1504000000e-03 -4.7514000000e-03  1.1782000000e-02  1.1475300000e-02  1.4431200000e-02 -1.5606000000e-03  2.8320000000e-04  1.8743000000e-03 -8.1003000000e-03 -3.3486000000e-03 -4.4289000000e-03
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6475300000e-01  7.4174000000e-01 -2.1704400000e-01  5.8173300000e-01 -6.2677600000e-01  4.3008200000e-01 -2.1623100000e+00  3.4584200000e-01  1.5584170000e+00 -1.9281900000e+00 -1.1248800000e-01  2.3654810000e+00 -1.3608370000e+00  3.3512200000e-01  1.0351990000e+00
-ENERGY -1.526589156781e+02
-FORCES -1.2927000000e-03  3.4250000000e-04  3.6451000000e-03 -2.9448000000e-03 -4.4291000000e-03  2.1248000000e-03 -3.3638000000e-03  4.3708000000e-03 -1.2136000000e-03  1.3940400000e-02 -2.8271000000e-03 -8.7334000000e-03  7.4060000000e-04  7.1210000000e-04 -2.9035000000e-03 -7.0798000000e-03  1.8308000000e-03  7.0806000000e-03
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2118000000e-01  5.8246000000e-01  5.5257900000e-01  6.2094200000e-01 -6.6238100000e-01 -3.0317400000e-01  8.6862900000e-01  2.3426600000e+00  1.1359250000e+00  1.6832210000e+00  2.7912100000e+00  9.0904400000e-01  1.7781200000e-01  2.9380630000e+00  8.4524000000e-01
-ENERGY -1.526603231186e+02
-FORCES  5.6221000000e-03  8.6590000000e-03  5.1770000000e-03 -2.6012000000e-03 -9.3242000000e-03 -3.7999000000e-03 -6.1400000000e-04  3.4625000000e-03  1.4813000000e-03 -2.9909000000e-03  8.1910000000e-04 -5.4076000000e-03 -3.9754000000e-03 -2.1092000000e-03  5.9630000000e-04  4.5595000000e-03 -1.5071000000e-03  1.9529000000e-03
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4615900000e-01 -4.4656000000e-01 -2.8819000000e-02  1.1061200000e-01  7.6080500000e-01 -5.7024000000e-01 -3.6925100000e-01  2.4113290000e+00 -1.4378430000e+00 -1.1421750000e+00  2.9377710000e+00 -1.2336870000e+00  2.4618900000e-01  3.0306840000e+00 -1.8300980000e+00
-ENERGY -1.526608822641e+02
-FORCES  6.2570000000e-04  7.6126000000e-03 -5.4555000000e-03 -2.2299000000e-03  2.6211000000e-03 -7.4320000000e-04  2.7400000000e-03 -8.8794000000e-03  4.5758000000e-03 -2.3685000000e-03  2.1439000000e-03  1.7939000000e-03  4.2826000000e-03 -8.0980000000e-04 -2.1843000000e-03 -3.0498000000e-03 -2.6885000000e-03  2.0133000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3727700000e-01 -1.7586100000e-01 -5.8457500000e-01  3.8880500000e-01  4.5683700000e-01  7.4589700000e-01 -2.4724330000e+00  1.5987200000e+00  1.6231710000e+00 -2.6293180000e+00  1.3262250000e+00  7.1908800000e-01 -1.7469570000e+00  2.2203430000e+00  1.5640060000e+00
-ENERGY -1.526556985841e+02
-FORCES  5.1967000000e-03 -3.3490000000e-04  1.7061000000e-03 -3.3118000000e-03  9.6580000000e-04  2.6646000000e-03 -1.2318000000e-03 -6.7870000000e-04 -4.1188000000e-03  2.5112000000e-03 -5.9800000000e-05 -5.9535000000e-03 -1.2954000000e-03  2.5401000000e-03  4.4030000000e-03 -1.8690000000e-03 -2.4325000000e-03  1.2987000000e-03
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5551800000e-01 -4.1898000000e-02  3.8240000000e-02  2.3722300000e-01  6.6374400000e-01  6.4761100000e-01 -2.5317100000e+00 -1.6984570000e+00  2.2947600000e-01 -1.8734600000e+00 -2.2001830000e+00  7.1031900000e-01 -2.7007110000e+00 -2.2165200000e+00 -5.5746800000e-01
-ENERGY -1.526605099174e+02
-FORCES -5.9954000000e-03  1.2654000000e-03  1.3239000000e-03  8.3650000000e-03  3.2949000000e-03  4.4100000000e-04 -1.4857000000e-03 -2.9200000000e-03 -1.9408000000e-03  2.3084000000e-03 -6.4304000000e-03 -1.4102000000e-03 -3.9269000000e-03  2.7211000000e-03 -2.0742000000e-03  7.3460000000e-04  2.0690000000e-03  3.6602000000e-03
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1644000000e-01 -4.7536300000e-01  8.0213200000e-01 -3.7083500000e-01 -6.6480500000e-01 -5.8029900000e-01 -1.3501140000e+00 -1.8887160000e+00 -1.8679860000e+00 -1.8356950000e+00 -2.5494710000e+00 -1.3741790000e+00 -2.0164110000e+00 -1.4411340000e+00 -2.3894750000e+00
-ENERGY -1.526613231141e+02
-FORCES -2.7729000000e-03 -7.5434000000e-03 -4.2178000000e-03 -1.2898000000e-03  8.6180000000e-04 -2.6941000000e-03  4.2666000000e-03  6.6148000000e-03  7.7047000000e-03 -5.7402000000e-03 -8.0960000000e-04 -1.7900000000e-03  2.6120000000e-03  3.7957000000e-03 -1.8248000000e-03  2.9243000000e-03 -2.9193000000e-03  2.8220000000e-03
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8857800000e-01  6.3716500000e-01  6.5343400000e-01  7.5616700000e-01 -5.7304900000e-01 -1.2672000000e-01  1.0180930000e+00 -3.5826310000e+00 -1.2049440000e+00  4.4672200000e-01 -3.7060490000e+00 -4.4696300000e-01  1.5506190000e+00 -4.3774160000e+00 -1.2359950000e+00
-ENERGY -1.526559609432e+02
-FORCES  4.8045000000e-03  1.4590000000e-04  9.5930000000e-04 -1.1677000000e-03 -2.6388000000e-03 -2.5240000000e-03 -3.8369000000e-03  3.4616000000e-03  2.1834000000e-03 -8.8860000000e-04 -5.1006000000e-03  2.1220000000e-03  3.4044000000e-03  8.2620000000e-04 -2.9905000000e-03 -2.3158000000e-03  3.3057000000e-03  2.4980000000e-04
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3462500000e-01  1.5806900000e-01 -8.3806200000e-01 -6.9569700000e-01 -3.1938500000e-01  5.7465700000e-01  1.5328720000e+00  1.6549060000e+00  1.7633150000e+00  7.4069600000e-01  1.8154980000e+00  2.2760530000e+00  1.2158060000e+00  1.2718530000e+00  9.4540800000e-01
-ENERGY -1.526595865668e+02
-FORCES -3.5823000000e-03 -1.1412000000e-03  1.0801000000e-03  1.7708000000e-03 -5.6600000000e-04  4.6459000000e-03  2.7084000000e-03  2.3828000000e-03 -3.2168000000e-03 -8.0649000000e-03 -5.5805000000e-03 -6.4984000000e-03  2.0981000000e-03 -6.8880000000e-04 -6.5590000000e-04  5.0699000000e-03  5.5937000000e-03  4.6451000000e-03
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0822800000e-01  1.7521400000e-01  7.1804600000e-01 -5.2767300000e-01 -4.5604000000e-01 -6.5560700000e-01 -1.0179100000e+00  3.0717340000e+00  2.4074700000e-01 -2.6895600000e-01  3.4132380000e+00 -2.4779700000e-01 -6.2891700000e-01  2.5480000000e+00  9.4118900000e-01
-ENERGY -1.526541398752e+02
-FORCES -6.8390000000e-03 -2.0910000000e-04 -1.6951000000e-03  3.7952000000e-03  9.8230000000e-04 -1.2583000000e-03  2.6715000000e-03  9.7900000000e-04  2.7864000000e-03  7.3051000000e-03 -2.8712000000e-03 -1.1268000000e-03 -3.4911000000e-03  2.7320000000e-04  2.0293000000e-03 -3.4417000000e-03  8.4570000000e-04 -7.3550000000e-04
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8934300000e-01 -3.4731800000e-01  5.6604600000e-01 -4.6135700000e-01  3.0179900000e-01 -7.8249500000e-01 -1.5380790000e+00 -2.2815040000e+00 -1.2990800000e+00 -9.8640200000e-01 -1.6815080000e+00 -1.8009650000e+00 -1.7159800000e+00 -3.0042380000e+00 -1.9009420000e+00
-ENERGY -1.526550807374e+02
-FORCES -6.8313000000e-03 -2.2922000000e-03  1.0086000000e-03  3.7762000000e-03  3.5576000000e-03 -1.3412000000e-03  2.8162000000e-03 -3.3169000000e-03  6.4800000000e-04  3.5607000000e-03 -9.5050000000e-04 -3.6812000000e-03 -4.7160000000e-03 -3.1760000000e-04  8.7340000000e-04  1.3942000000e-03  3.3196000000e-03  2.4924000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9657100000e-01 -6.5729100000e-01 -3.5819500000e-01  5.7491000000e-01  6.8126300000e-01  3.4870000000e-01  1.4966710000e+00 -2.1415710000e+00 -6.8179600000e-01  2.0606850000e+00 -2.5860410000e+00 -4.8893000000e-02  1.0550050000e+00 -2.8506360000e+00 -1.1491170000e+00
-ENERGY -1.526600953699e+02
-FORCES  9.7557000000e-03 -1.0438100000e-02 -3.4037000000e-03 -5.1609000000e-03  7.9271000000e-03  9.1410000000e-04 -5.8340000000e-04 -3.0350000000e-03 -7.2300000000e-04 -4.4871000000e-03  1.7976000000e-03  4.1002000000e-03 -2.4880000000e-03  9.5850000000e-04 -3.8890000000e-03  2.9636000000e-03  2.7899000000e-03  3.0013000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5755400000e-01 -3.3445800000e-01 -8.2251100000e-01  5.1144100000e-01  7.6779400000e-01 -2.5525100000e-01  1.8566660000e+00  1.7637730000e+00 -1.2423200000e-01  2.0074380000e+00  2.6701210000e+00  1.4415700000e-01  2.5834540000e+00  1.2750520000e+00  2.6198500000e-01
-ENERGY -1.526586323084e+02
-FORCES  1.1445300000e-02  1.3308000000e-02 -1.5592000000e-03  2.7621000000e-03  2.8856000000e-03  1.5672000000e-03 -4.8319000000e-03 -6.8728000000e-03 -1.0433000000e-03 -7.5016000000e-03 -8.9489000000e-03  3.5414000000e-03  7.0990000000e-04 -4.9662000000e-03 -5.3570000000e-04 -2.5837000000e-03  4.5943000000e-03 -1.9705000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2751400000e-01  5.9208600000e-01 -1.9075700000e-01 -1.7000000000e-05 -6.2228300000e-01 -7.2732100000e-01  1.0329440000e+00 -3.0300370000e+00  1.4061250000e+00  2.5639600000e-01 -3.5895070000e+00  1.4202170000e+00  7.5993900000e-01 -2.2292320000e+00  1.8537990000e+00
-ENERGY -1.526571357383e+02
-FORCES  3.6032000000e-03 -6.5810000000e-04 -4.9723000000e-03 -3.0543000000e-03 -2.3004000000e-03  9.4550000000e-04 -8.7960000000e-04  3.5065000000e-03  2.6426000000e-03 -4.6857000000e-03  2.7913000000e-03  2.2573000000e-03  3.0183000000e-03  2.0326000000e-03 -5.3050000000e-04  1.9980000000e-03 -5.3718000000e-03 -3.4260000000e-04
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5659600000e-01  2.8591400000e-01  3.1737800000e-01  3.5315300000e-01 -5.3470800000e-01  7.1105700000e-01 -6.7341900000e-01 -1.3329720000e+00 -2.2053370000e+00 -6.3520400000e-01 -7.4154000000e-01 -1.4536860000e+00 -1.2979510000e+00 -2.0104650000e+00 -1.9461170000e+00
-ENERGY -1.526561244070e+02
-FORCES  5.9860000000e-04 -6.8225000000e-03 -1.6870000000e-03  3.6336000000e-03 -4.8720000000e-03 -5.3592000000e-03 -2.9851000000e-03  3.6498000000e-03 -2.5417000000e-03  4.5586000000e-03  6.9630000000e-03  1.4804700000e-02 -7.8699000000e-03 -1.6949000000e-03 -6.1707000000e-03  2.0642000000e-03  2.7766000000e-03  9.5400000000e-04
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5991700000e-01  2.7485500000e-01  7.2607200000e-01  5.7190300000e-01  7.5079800000e-01 -1.5956900000e-01 -7.8257100000e-01 -1.3843620000e+00 -2.0795800000e+00 -7.4143100000e-01 -8.8352000000e-01 -1.2649040000e+00 -1.5252080000e+00 -1.9763500000e+00 -1.9601100000e+00
-ENERGY -1.526582690658e+02
-FORCES -5.0730000000e-04 -1.2167000000e-03 -7.7343000000e-03  2.3423000000e-03 -1.6289000000e-03 -4.7627000000e-03 -3.4429000000e-03 -3.2023000000e-03  2.8029000000e-03  4.8808000000e-03  8.1513000000e-03  1.3710700000e-02 -5.3539000000e-03 -5.0900000000e-03 -6.2150000000e-03  2.0810000000e-03  2.9866000000e-03  2.1984000000e-03
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3037100000e-01  5.9862600000e-01  1.5632100000e-01  1.4215800000e-01 -7.1820000000e-01  6.1661300000e-01  1.0567710000e+00 -2.1623040000e+00  1.2521570000e+00  1.3999030000e+00 -1.9335100000e+00  2.1159550000e+00  1.8181090000e+00 -2.4831290000e+00  7.6876600000e-01
-ENERGY -1.526581703230e+02
-FORCES  8.0164000000e-03 -1.1564700000e-02  7.6541000000e-03 -1.5654000000e-03 -1.8453000000e-03 -2.4000000000e-04 -4.5182000000e-03  7.8802000000e-03 -1.1072000000e-03  2.6902000000e-03  3.2670000000e-03 -4.9062000000e-03 -1.8572000000e-03  9.3080000000e-04 -5.6153000000e-03 -2.7658000000e-03  1.3320000000e-03  4.2146000000e-03
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0323300000e-01  6.3024800000e-01 -1.5646800000e-01  6.2397800000e-01  1.5574200000e-01 -7.0896300000e-01  1.5931680000e+00  8.1009300000e-01 -2.0215900000e+00  1.3359820000e+00  1.1116000000e-01 -2.6229040000e+00  2.4869650000e+00  1.0333870000e+00 -2.2813950000e+00
-ENERGY -1.526583782034e+02
-FORCES  8.3313000000e-03  8.3209000000e-03 -9.5116000000e-03  1.6075000000e-03 -2.0804000000e-03  9.5000000000e-05 -6.4046000000e-03 -6.4938000000e-03  3.6810000000e-04  7.2790000000e-04 -1.4718000000e-03  3.4037000000e-03  6.8210000000e-04  3.2876000000e-03  6.3582000000e-03 -4.9443000000e-03 -1.5626000000e-03 -7.1340000000e-04
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0997600000e-01 -3.8819800000e-01  7.1095600000e-01  7.5474300000e-01  3.9678000000e-01  4.3492700000e-01  2.1673840000e+00 -1.7617490000e+00 -4.3537900000e-01  1.2482880000e+00 -1.5106470000e+00 -3.4349900000e-01  2.2120100000e+00 -2.6461850000e+00 -7.2042000000e-02
-ENERGY -1.526594749248e+02
-FORCES  2.6825000000e-03  3.5438000000e-03  4.7838000000e-03  4.2128000000e-03 -4.0970000000e-04 -4.2563000000e-03 -4.7469000000e-03 -3.8296000000e-03 -2.3630000000e-03 -8.7446000000e-03  2.5604000000e-03 -2.7250000000e-04  8.5923000000e-03 -5.6515000000e-03  2.6240000000e-03 -1.9962000000e-03  3.7867000000e-03 -5.1600000000e-04
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1811400000e-01  2.4538000000e-01  5.8338100000e-01 -4.3149600000e-01 -3.8245700000e-01 -7.6404900000e-01 -1.7565670000e+00  8.9283900000e-01  1.8254850000e+00 -2.4974530000e+00  1.4395490000e+00  1.5638960000e+00 -1.0626930000e+00  1.5160380000e+00  2.0408750000e+00
-ENERGY -1.526593720592e+02
-FORCES -1.3112700000e-02  2.4533000000e-03  9.0095000000e-03  9.6489000000e-03  7.6000000000e-04 -5.0720000000e-03 -1.4540000000e-04  1.6846000000e-03  2.6613000000e-03  2.9799000000e-03  2.8728000000e-03 -3.4360000000e-03  4.3838000000e-03 -2.6235000000e-03  1.0581000000e-03 -3.7546000000e-03 -5.1473000000e-03 -4.2208000000e-03
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1943100000e-01  1.8497500000e-01  6.0368500000e-01 -4.3009000000e-01 -2.0608000000e-01 -8.2993100000e-01 -8.6648400000e-01 -9.7117500000e-01 -2.5274710000e+00 -9.3551500000e-01 -5.5701800000e-01 -3.3876690000e+00 -2.5114700000e-01 -1.6928060000e+00 -2.6572430000e+00
-ENERGY -1.526621194091e+02
-FORCES -5.7923000000e-03 -2.2854000000e-03 -8.0333000000e-03  1.6865000000e-03 -6.1760000000e-04 -2.6049000000e-03  3.5744000000e-03  2.3320000000e-03  9.8042000000e-03  3.1783000000e-03 -5.8500000000e-04 -2.5149000000e-03  6.3340000000e-04 -2.9672000000e-03  3.5167000000e-03 -3.2804000000e-03  4.1233000000e-03 -1.6790000000e-04
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6420000000e-01  4.6258600000e-01 -7.9526300000e-01  1.4917900000e-01  6.3011300000e-01  7.0493700000e-01 -2.2388980000e+00 -1.7217860000e+00  3.1419800000e-01 -1.5706090000e+00 -1.0365230000e+00  3.0816200000e-01 -2.8244130000e+00 -1.4796780000e+00  1.0316850000e+00
-ENERGY -1.526605432006e+02
-FORCES  1.0149000000e-03  2.3886000000e-03 -2.3552000000e-03 -2.9700000000e-04 -1.2043000000e-03  4.7860000000e-03 -1.9729000000e-03 -3.1570000000e-03 -3.6451000000e-03  7.2518000000e-03  6.8848000000e-03 -1.7130000000e-04 -8.8950000000e-03 -5.2684000000e-03  3.3355000000e-03  2.8981000000e-03  3.5630000000e-04 -1.9499000000e-03
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1766300000e-01  4.9250600000e-01 -7.1386000000e-02  1.2218900000e-01 -7.5307200000e-01 -5.7808700000e-01  1.7214850000e+00 -6.1567600000e-01  2.6169080000e+00  2.1751180000e+00 -1.1188920000e+00  3.2930900000e+00  2.3862240000e+00 -4.6210500000e-01  1.9455150000e+00
-ENERGY -1.526509070350e+02
-FORCES  3.7169000000e-03 -1.6310000000e-03 -3.9860000000e-04 -2.1941000000e-03 -2.3146000000e-03  2.3600000000e-05 -2.5030000000e-04  3.2145000000e-03  2.1637000000e-03  3.9430000000e-03 -1.4211000000e-03 -4.7250000000e-04 -2.5724000000e-03  1.9380000000e-03 -3.2068000000e-03 -2.6431000000e-03  2.1410000000e-04  1.8907000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7587600000e-01  4.9581000000e-02 -7.6298100000e-01  4.8643000000e-01 -5.2696500000e-01  6.3397600000e-01 -9.6158900000e-01 -2.1926330000e+00 -1.4069370000e+00 -1.8302720000e+00 -2.5400060000e+00 -1.2045650000e+00 -8.9156300000e-01 -1.3981300000e+00 -8.7769800000e-01
-ENERGY -1.526608834313e+02
-FORCES  5.9292000000e-03 -2.9201000000e-03 -1.0963000000e-03 -5.0315000000e-03 -2.0499000000e-03  4.0448000000e-03 -3.4580000000e-03  2.1151000000e-03 -3.9050000000e-03  4.0900000000e-05  9.6045000000e-03  6.9088000000e-03  2.9308000000e-03  2.1475000000e-03  7.1730000000e-04 -4.1140000000e-04 -8.8971000000e-03 -6.6696000000e-03
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9290700000e-01  7.6303800000e-01 -4.2382700000e-01 -5.1417600000e-01  3.6399900000e-01  7.2066600000e-01 -2.2300450000e+00  2.5453700000e-01  1.7914810000e+00 -2.8879090000e+00  9.2814200000e-01  1.9638260000e+00 -2.6446330000e+00 -3.2873600000e-01  1.1557600000e+00
-ENERGY -1.526612129179e+02
-FORCES -4.3795000000e-03  4.3797000000e-03  5.8285000000e-03 -2.0543000000e-03 -1.9588000000e-03  1.9607000000e-03  6.5428000000e-03 -2.0867000000e-03 -7.5014000000e-03 -4.6884000000e-03 -1.1100000000e-03 -2.5635000000e-03  2.7121000000e-03 -3.2770000000e-03 -1.4146000000e-03  1.8674000000e-03  4.0527000000e-03  3.6904000000e-03
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8489000000e-02  2.5392000000e-01 -9.2105100000e-01 -8.3043800000e-01 -4.7133000000e-01  6.6733000000e-02 -2.5740390000e+00  6.1320300000e-01 -2.9296620000e+00 -2.1691890000e+00 -2.4440100000e-01 -3.0594400000e+00 -3.2867630000e+00  4.5107900000e-01 -2.3116230000e+00
-ENERGY -1.526544755376e+02
-FORCES -3.4947000000e-03  5.6510000000e-04 -3.9141000000e-03  6.6670000000e-04 -2.4323000000e-03  4.1486000000e-03  3.1324000000e-03  1.1958000000e-03 -2.6150000000e-04 -3.1867000000e-03 -3.7248000000e-03  5.9300000000e-04 -7.5090000000e-04  4.0795000000e-03  1.8222000000e-03  3.6332000000e-03  3.1680000000e-04 -2.3882000000e-03
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5472000000e-01 -8.7966100000e-01  3.4422300000e-01  6.5857800000e-01  5.4533800000e-01  4.3024800000e-01  1.6139830000e+00 -9.8674900000e-01 -2.0646650000e+00  1.0200230000e+00 -6.4897000000e-01 -1.3943300000e+00  1.0473170000e+00 -1.4701360000e+00 -2.6658790000e+00
-ENERGY -1.526592366185e+02
-FORCES  3.3721000000e-03 -1.1660000000e-04  3.9110000000e-03  1.1699000000e-03  4.8582000000e-03 -6.5964000000e-03 -3.0730000000e-03 -4.0902000000e-03 -3.4735000000e-03 -1.0304800000e-02  5.6677000000e-03  5.9413000000e-03  7.6939000000e-03 -7.5319000000e-03 -2.7352000000e-03  1.1420000000e-03  1.2126000000e-03  2.9528000000e-03
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9912000000e-02  6.5681700000e-01 -6.9046300000e-01  7.9512000000e-01 -4.8134800000e-01 -2.2873500000e-01 -1.0153180000e+00  2.1432730000e+00 -1.2965500000e+00 -4.9073900000e-01  2.9385870000e+00 -1.3888780000e+00 -1.6638650000e+00  2.3599690000e+00 -6.2672900000e-01
-ENERGY -1.526604275028e+02
-FORCES -3.7004000000e-03  8.9569000000e-03 -7.4884000000e-03  5.3614000000e-03 -8.2708000000e-03  4.8451000000e-03 -2.3602000000e-03  3.5746000000e-03 -9.2700000000e-04 -7.1020000000e-04 -3.4010000000e-04  6.7813000000e-03 -2.0267000000e-03 -4.4030000000e-03  9.6790000000e-04  3.4362000000e-03  4.8230000000e-04 -4.1788000000e-03
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1627300000e-01  2.6679700000e-01  5.7619800000e-01  5.5821400000e-01  7.7497400000e-01 -6.3594000000e-02  9.5231400000e-01 -1.9525420000e+00  1.4949210000e+00  1.7682800000e+00 -2.3850310000e+00  1.2431580000e+00  8.5525400000e-01 -1.2380490000e+00  8.6538900000e-01
-ENERGY -1.526592388093e+02
-FORCES -8.8890000000e-04 -2.6357000000e-03  7.0603000000e-03  4.7385000000e-03 -3.6720000000e-04 -3.4745000000e-03 -1.8861000000e-03 -5.4898000000e-03  1.6109000000e-03 -5.4080000000e-03  1.1319900000e-02 -1.1099700000e-02 -2.3303000000e-03  3.5149000000e-03 -1.0936000000e-03  5.7748000000e-03 -6.3421000000e-03  6.9965000000e-03
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0844600000e-01  5.5847000000e-01  7.1358600000e-01 -7.0952200000e-01  4.9849100000e-01 -4.0536000000e-01 -2.1196060000e+00 -1.5077950000e+00  4.0291900000e-01 -2.4004490000e+00 -1.4460930000e+00  1.3159100000e+00 -1.2773720000e+00 -1.0535540000e+00  3.7969000000e-01
-ENERGY -1.526571816814e+02
-FORCES -6.9426000000e-03 -2.0850000000e-04  1.6781000000e-03 -3.2069000000e-03 -3.1478000000e-03 -3.4430000000e-03  2.5522000000e-03 -6.4957000000e-03  5.5916000000e-03  1.6516800000e-02  7.6943000000e-03  7.5810000000e-04  2.3021000000e-03  1.3385000000e-03 -2.5654000000e-03 -1.1221600000e-02  8.1930000000e-04 -2.0193000000e-03
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8561200000e-01  5.3734300000e-01 -1.0152600000e-01  7.2591000000e-01  6.0493700000e-01 -1.5276400000e-01  1.8951550000e+00  1.7450600000e+00  6.7457000000e-02  1.6404940000e+00  2.5618690000e+00 -3.6173100000e-01  1.6148610000e+00  1.8539300000e+00  9.7620100000e-01
-ENERGY -1.526556029736e+02
-FORCES  1.6271900000e-02  1.5684000000e-02 -2.9723000000e-03  3.6930000000e-03  4.4750000000e-04  7.9870000000e-04 -8.2506000000e-03 -4.0504000000e-03  4.4542000000e-03 -9.7686000000e-03 -4.9729000000e-03  2.1498000000e-03 -9.5530000000e-04 -5.5769000000e-03  2.9614000000e-03 -9.9040000000e-04 -1.5313000000e-03 -7.3918000000e-03
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7184500000e-01 -4.2514200000e-01  8.4021200000e-01  8.3891600000e-01  3.8814600000e-01 -2.4858300000e-01  8.1326800000e-01 -1.0628250000e+00  2.2384900000e+00  1.3626800000e+00 -5.2327700000e-01  2.8070550000e+00  1.3280470000e+00 -1.8559820000e+00  2.0897040000e+00
-ENERGY -1.526575421215e+02
-FORCES  8.5629000000e-03 -7.3973000000e-03  1.8105500000e-02 -3.0806000000e-03  1.7196000000e-03 -7.0840000000e-03 -1.5184000000e-03 -9.9050000000e-04  1.0490000000e-03 -6.4000000000e-04  5.1378000000e-03 -9.3484000000e-03 -1.5207000000e-03 -3.8364000000e-03 -3.5784000000e-03 -1.8031000000e-03  5.3668000000e-03  8.5640000000e-04
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8452800000e-01 -1.7811100000e-01  5.1867600000e-01 -2.8134600000e-01  6.4795000000e-01 -6.4593800000e-01  1.5801560000e+00  1.7653490000e+00  1.3803580000e+00  9.8550000000e-01  1.5272690000e+00  6.6906800000e-01  1.7264380000e+00  9.4704400000e-01  1.8549200000e+00
-ENERGY -1.526548129181e+02
-FORCES -1.9273000000e-03  2.9392000000e-03  2.9108000000e-03  4.5693000000e-03  1.1279000000e-03 -2.5051000000e-03  4.5821000000e-03 -1.4760000000e-04  7.0046000000e-03 -7.3865000000e-03 -1.4824900000e-02 -5.9278000000e-03 -7.4250000000e-04  7.7189000000e-03 -3.1430000000e-03  9.0500000000e-04  3.1866000000e-03  1.6605000000e-03
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4882500000e-01 -4.4150900000e-01 -2.8227000000e-02  2.8507200000e-01  3.0617000000e-02 -9.1325200000e-01 -2.0536900000e+00 -1.6453050000e+00  2.9427600000e-01 -2.7751490000e+00 -1.4325440000e+00  8.8627400000e-01 -2.4812610000e+00 -1.9708020000e+00 -4.9785200000e-01
-ENERGY -1.526581389525e+02
-FORCES -1.2669400000e-02 -1.0913500000e-02  8.9030000000e-04  6.2509000000e-03  7.1020000000e-03 -2.9703000000e-03 -2.5349000000e-03 -1.4717000000e-03  2.2417000000e-03  2.6261000000e-03  3.4786000000e-03 -3.5200000000e-05  3.6145000000e-03 -1.3106000000e-03 -4.1461000000e-03  2.7128000000e-03  3.1153000000e-03  4.0197000000e-03
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6894300000e-01  7.0920100000e-01 -2.9928100000e-01 -5.1793300000e-01 -2.3349600000e-01 -7.7036100000e-01 -1.5722530000e+00 -1.5238340000e+00 -1.5992880000e+00 -2.3293670000e+00 -1.8749640000e+00 -1.1305470000e+00 -1.9095270000e+00 -1.3004700000e+00 -2.4668060000e+00
-ENERGY -1.526593046554e+02
-FORCES -6.0346000000e-03 -6.2652000000e-03 -7.9206000000e-03 -2.9272000000e-03 -2.8915000000e-03 -1.1385000000e-03  5.7184000000e-03  7.8472000000e-03  4.1559000000e-03 -2.0022000000e-03 -3.3280000000e-04  3.8885000000e-03  3.0592000000e-03  1.4697000000e-03 -3.9831000000e-03  2.1864000000e-03  1.7270000000e-04  4.9978000000e-03
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7549400000e-01 -4.5352700000e-01  6.9602500000e-01  5.6083800000e-01  6.2453800000e-01  4.6004800000e-01 -1.2968960000e+00 -8.7282400000e-01  2.1882000000e+00 -1.4801060000e+00 -9.0952000000e-02  2.7091060000e+00 -2.1015320000e+00 -1.3888100000e+00  2.2386910000e+00
-ENERGY -1.526592044395e+02
-FORCES -6.2984000000e-03 -5.2281000000e-03  1.4574000000e-02  4.0989000000e-03  3.0929000000e-03 -7.2721000000e-03 -2.2635000000e-03 -1.1334000000e-03 -4.9240000000e-04 -2.3040000000e-04  4.0111000000e-03 -4.5129000000e-03  9.0710000000e-04 -4.2845000000e-03 -2.6094000000e-03  3.7863000000e-03  3.5419000000e-03  3.1290000000e-04
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6429800000e-01  7.7317000000e-01  2.6570000000e-03  4.1535600000e-01  3.0750000000e-03  8.6238200000e-01 -2.6355280000e+00 -1.2919940000e+00  1.4900020000e+00 -1.8434370000e+00 -1.8207940000e+00  1.5858860000e+00 -3.3443000000e+00 -1.9316710000e+00  1.4215390000e+00
-ENERGY -1.526551548757e+02
-FORCES -3.1996000000e-03  4.1542000000e-03  3.4611000000e-03  3.9602000000e-03 -2.1131000000e-03 -7.0250000000e-04 -1.6394000000e-03 -1.3019000000e-03 -3.2305000000e-03  1.7027000000e-03 -4.9905000000e-03 -1.5813000000e-03 -3.7823000000e-03  1.6262000000e-03  1.9894000000e-03  2.9584000000e-03  2.6250000000e-03  6.3800000000e-05
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4276200000e-01  7.6535500000e-01 -5.2108600000e-01 -4.3673200000e-01  1.3402200000e-01  8.4115100000e-01  1.8299000000e+00 -1.9289910000e+00 -3.2239600000e-01  2.3425900000e+00 -1.6652530000e+00 -1.0864790000e+00  1.2954270000e+00 -1.1622710000e+00 -1.1573100000e-01
-ENERGY -1.526590313047e+02
-FORCES  3.5677000000e-03 -3.3800000000e-03 -1.1721000000e-03  2.2420000000e-04 -3.2637000000e-03  3.5350000000e-03  2.0470000000e-03  2.1100000000e-04 -4.8713000000e-03 -9.6347000000e-03  1.2177700000e-02 -4.2960000000e-04 -1.9427000000e-03  4.9700000000e-05  1.7838000000e-03  5.7387000000e-03 -5.7947000000e-03  1.1542000000e-03
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1321700000e-01 -3.3280200000e-01 -7.3626300000e-01  3.9112900000e-01 -7.8064600000e-01  3.9222700000e-01  1.9888970000e+00  2.2200070000e+00 -7.6143900000e-01  1.2866520000e+00  1.7197310000e+00 -3.4573700000e-01  2.3764920000e+00  2.7275780000e+00 -4.8436000000e-02
-ENERGY -1.526611040718e+02
-FORCES -5.2540000000e-04 -5.9416000000e-03 -2.3486000000e-03  2.2050000000e-03  7.4750000000e-04  3.8302000000e-03 -2.3318000000e-03  3.2384000000e-03 -1.7416000000e-03 -4.3725000000e-03 -3.3152000000e-03  4.4351000000e-03  6.4631000000e-03  7.5662000000e-03 -2.1791000000e-03 -1.4383000000e-03 -2.2952000000e-03 -1.9960000000e-03
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8070800000e-01 -5.7885400000e-01 -3.4321500000e-01 -3.6006300000e-01  4.3251600000e-01 -7.7428400000e-01  1.3887440000e+00  1.7203900000e+00  2.0845340000e+00  1.1388300000e+00  1.0430400000e+00  1.4560660000e+00  2.0653990000e+00  1.3101520000e+00  2.6231200000e+00
-ENERGY -1.526598890615e+02
-FORCES -1.8945000000e-03  4.5400000000e-05 -6.6012000000e-03 -2.1648000000e-03  4.0292000000e-03  3.1642000000e-03  1.8513000000e-03 -3.1831000000e-03  3.0627000000e-03 -2.5971000000e-03 -5.7090000000e-03 -3.4174000000e-03  7.1737000000e-03  4.2578000000e-03  6.4850000000e-03 -2.3685000000e-03  5.5980000000e-04 -2.6933000000e-03
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1907300000e-01  2.4730300000e-01 -6.8689300000e-01 -5.5985500000e-01 -6.6056800000e-01 -4.0797600000e-01  1.4897060000e+00  4.9458400000e-01 -2.3031510000e+00  9.1609200000e-01  1.2591890000e+00 -2.3539170000e+00  2.3558020000e+00  8.2837300000e-01 -2.5370170000e+00
-ENERGY -1.526591425906e+02
-FORCES  7.2174000000e-03 -2.6899000000e-03 -1.0296300000e-02 -7.6879000000e-03  4.3867000000e-03  4.2827000000e-03  1.0350000000e-03  2.5011000000e-03  1.1742000000e-03  1.4192000000e-03  2.5461000000e-03  4.8600000000e-05  3.0442000000e-03 -5.9482000000e-03  4.2893000000e-03 -5.0279000000e-03 -7.9580000000e-04  5.0150000000e-04
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8661100000e-01  7.1533400000e-01 -5.0503600000e-01 -6.8990200000e-01 -6.6197400000e-01  4.5357000000e-02  2.5156070000e+00  1.8005040000e+00 -2.2394700000e-01  1.6665650000e+00  2.2389270000e+00 -1.6787700000e-01  3.1560850000e+00  2.5011840000e+00 -1.0120100000e-01
-ENERGY -1.526515593579e+02
-FORCES -4.1426000000e-03 -9.3390000000e-04 -2.5882000000e-03  2.6631000000e-03 -1.2090000000e-03  3.1974000000e-03  3.3825000000e-03  2.6976000000e-03 -1.3230000000e-04 -1.9573000000e-03  3.6873000000e-03  1.8704000000e-03  2.7027000000e-03 -7.2070000000e-04 -1.9525000000e-03 -2.6484000000e-03 -3.5213000000e-03 -3.9470000000e-04
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8123000000e-01  5.9759100000e-01 -4.7041300000e-01  4.0525400000e-01  5.4238300000e-01  6.7662600000e-01 -1.4411560000e+00 -2.1608600000e+00  7.4310500000e-01 -9.9474000000e-01 -1.4055000000e+00  3.6051600000e-01 -2.2567820000e+00 -1.8045600000e+00  1.0952910000e+00
-ENERGY -1.526588790383e+02
-FORCES -1.7101000000e-03 -1.3849000000e-03  4.8018000000e-03  1.5786000000e-03 -4.4609000000e-03  4.1152000000e-03 -2.6274000000e-03 -1.1713000000e-03 -4.4780000000e-03  7.6678000000e-03  1.3420100000e-02 -3.1084000000e-03 -7.6548000000e-03 -6.7138000000e-03  1.1760000000e-04  2.7460000000e-03  3.1080000000e-04 -1.4482000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2290400000e-01 -2.1887500000e-01  1.2873900000e-01 -4.3479400000e-01 -8.4614200000e-01 -1.0596600000e-01  2.5308220000e+00  2.1020500000e+00 -5.6598300000e-01  3.1255610000e+00  2.8381530000e+00 -7.0975200000e-01  2.2348500000e+00  1.8578400000e+00 -1.4429050000e+00
-ENERGY -1.526559440461e+02
-FORCES  2.8705000000e-03 -3.5593000000e-03  1.7421000000e-03 -5.2622000000e-03 -1.0409000000e-03 -1.7151000000e-03  1.8963000000e-03  3.6446000000e-03  2.4040000000e-04  2.5620000000e-04  3.4147000000e-03 -4.3131000000e-03 -2.6003000000e-03 -2.9424000000e-03  3.2260000000e-04  2.8394000000e-03  4.8340000000e-04  3.7231000000e-03
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2652800000e-01  6.1687300000e-01  8.8639000000e-02 -7.8297200000e-01  5.2669600000e-01  1.6055300000e-01  2.2393320000e+00  1.5854440000e+00  2.7076200000e-01  2.2328180000e+00  2.2057730000e+00  9.9972100000e-01  3.0132420000e+00  1.0433570000e+00  4.2385400000e-01
-ENERGY -1.526609123562e+02
-FORCES  9.6988000000e-03  9.6129000000e-03  8.6120000000e-04 -8.9865000000e-03 -6.2422000000e-03 -2.7560000000e-04  3.1749000000e-03 -4.3270000000e-04  1.8330000000e-04  2.7030000000e-04 -2.9230000000e-03  2.8612000000e-03 -1.6830000000e-04 -3.6028000000e-03 -3.5889000000e-03 -3.9892000000e-03  3.5878000000e-03 -4.1100000000e-05
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2421100000e-01 -8.1249100000e-01  2.7592700000e-01  5.7395000000e-01 -2.6146400000e-01 -7.2003500000e-01 -6.5338400000e-01  2.3109850000e+00 -1.2101330000e+00 -1.5285870000e+00  2.5445280000e+00 -9.0076300000e-01 -4.4302000000e-01  1.5007570000e+00 -7.4590300000e-01
-ENERGY -1.526589878253e+02
-FORCES -3.1826000000e-03  1.9450000000e-03 -3.8402000000e-03  3.3202000000e-03  3.0758000000e-03 -1.8024000000e-03 -4.9363000000e-03  3.0925000000e-03  3.6867000000e-03 -1.3330000000e-04 -1.2522500000e-02  9.6806000000e-03  2.0760000000e-03 -1.0645000000e-03 -6.0240000000e-04  2.8559000000e-03  5.4738000000e-03 -7.1222000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8163500000e-01 -7.6046200000e-01  3.2551000000e-01  3.9538300000e-01  3.8618200000e-01  7.8151600000e-01  1.9429440000e+00 -2.2260810000e+00  1.5614310000e+00  2.4274000000e+00 -2.8935850000e+00  2.0472020000e+00  1.5444480000e+00 -2.7016130000e+00  8.3252500000e-01
-ENERGY -1.526559721693e+02
-FORCES  1.4701000000e-03 -1.6718000000e-03  6.6056000000e-03  1.3922000000e-03  2.0262000000e-03 -2.6920000000e-03 -2.9337000000e-03  2.8220000000e-04 -3.7999000000e-03  1.5965000000e-03 -4.9152000000e-03 -2.0854000000e-03 -2.1392000000e-03  2.9345000000e-03 -2.2674000000e-03  6.1420000000e-04  1.3440000000e-03  4.2391000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5764300000e-01 -4.0579000000e-01  1.2655000000e-01 -5.3217500000e-01 -6.8492200000e-01 -4.0485000000e-01 -1.7005100000e+00  3.0155900000e-01  1.9458570000e+00 -1.3493440000e+00  6.3953600000e-01  2.7696810000e+00 -9.2885700000e-01  1.5099200000e-01  1.3998600000e+00
-ENERGY -1.526578975836e+02
-FORCES -6.0245000000e-03 -1.8542000000e-03  4.0173000000e-03 -5.6217000000e-03  1.9581000000e-03  8.2100000000e-04  3.5739000000e-03  3.8840000000e-03  4.6794000000e-03  1.4039800000e-02  4.6900000000e-05 -1.3138900000e-02  1.3553000000e-03 -1.3010000000e-03 -3.5000000000e-03 -7.3227000000e-03 -2.7338000000e-03  7.1210000000e-03
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2705200000e-01  4.6870800000e-01 -8.0311400000e-01  6.2828600000e-01 -6.6562300000e-01 -2.8006100000e-01 -2.1037290000e+00 -1.9305820000e+00 -8.2717300000e-01 -2.9002840000e+00 -1.4094480000e+00 -9.2792100000e-01 -1.5027720000e+00 -1.3601610000e+00 -3.4790000000e-01
-ENERGY -1.526601470386e+02
-FORCES  4.6486000000e-03  1.0994000000e-03 -5.4902000000e-03 -4.5280000000e-04 -3.3377000000e-03  4.5669000000e-03 -5.3333000000e-03  2.6510000000e-03  1.6865000000e-03  2.6971000000e-03  7.4728000000e-03  5.1274000000e-03  3.1650000000e-03 -1.1035000000e-03 -1.7550000000e-04 -4.7246000000e-03 -6.7820000000e-03 -5.7152000000e-03
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7079600000e-01  5.1997000000e-02 -8.3179300000e-01 -8.1247000000e-01 -4.5935600000e-01 -2.1240600000e-01  1.8924020000e+00 -1.8940040000e+00  2.2536300000e-01  1.1865490000e+00 -1.2868250000e+00  4.4748100000e-01  1.7478890000e+00 -2.1027100000e+00 -6.9756200000e-01
-ENERGY -1.526556892439e+02
-FORCES  2.9759000000e-03 -4.0353000000e-03 -4.3198000000e-03 -1.6095000000e-03 -4.1957000000e-03  5.2702000000e-03  6.1525000000e-03  8.6960000000e-04  7.9110000000e-04 -1.3381000000e-02  1.0919900000e-02 -1.1295000000e-03  6.1715000000e-03 -6.0215000000e-03 -2.4285000000e-03 -3.0950000000e-04  2.4631000000e-03  1.8165000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7059300000e-01 -5.8094800000e-01  3.5921500000e-01  3.4962400000e-01  2.7489400000e-01 -8.4760200000e-01  1.9665530000e+00 -1.8767500000e+00  3.3987700000e-01  2.2560620000e+00 -2.4124990000e+00  1.0783830000e+00  1.9231980000e+00 -2.4866180000e+00 -3.9661000000e-01
-ENERGY -1.526599789139e+02
-FORCES  1.1968000000e-02 -8.4017000000e-03  4.1930000000e-04 -6.2734000000e-03  5.8604000000e-03 -4.7400000000e-05 -1.4162000000e-03 -1.2713000000e-03  1.5903000000e-03 -3.8144000000e-03 -8.0920000000e-04 -1.7005000000e-03 -1.7475000000e-03  1.9777000000e-03 -4.2664000000e-03  1.2835000000e-03  2.6441000000e-03  4.0048000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0247700000e-01  3.9256200000e-01 -6.3178200000e-01 -6.7856900000e-01  6.6280000000e-01  1.2834100000e-01  1.7249240000e+00  7.4746800000e-01 -2.0456950000e+00  1.1345010000e+00  1.3653830000e+00 -2.4767560000e+00  2.5517490000e+00  1.2227690000e+00 -1.9639550000e+00
-ENERGY -1.526591006623e+02
-FORCES  7.7784000000e-03  3.9371000000e-03 -8.0986000000e-03 -9.2590000000e-03  1.9330000000e-04  6.2806000000e-03  3.0270000000e-03 -1.1890000000e-03 -2.1862000000e-03  1.2290000000e-03  2.0869000000e-03 -5.4620000000e-04  2.1427000000e-03 -3.1826000000e-03  5.5469000000e-03 -4.9181000000e-03 -1.8456000000e-03 -9.9650000000e-04
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8866000000e-02  6.7830600000e-01 -6.7280600000e-01  8.4680200000e-01 -4.1860500000e-01 -1.5468800000e-01  2.4455230000e+00  2.0085360000e+00 -3.3591700000e-01  1.9713880000e+00  1.8499970000e+00 -1.1521850000e+00  1.7601320000e+00  2.0978410000e+00  3.2627300000e-01
-ENERGY -1.526540513107e+02
-FORCES  4.7022000000e-03 -4.0390000000e-04 -3.6855000000e-03  1.8832000000e-03 -6.6000000000e-04  3.0080000000e-03 -4.8753000000e-03  1.6969000000e-03  3.2630000000e-04 -5.6628000000e-03  5.7600000000e-05  1.0737000000e-03  3.4460000000e-04 -1.1969000000e-03  3.3858000000e-03  3.6080000000e-03  5.0630000000e-04 -4.1083000000e-03
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2074900000e-01  8.5467500000e-01  2.8789200000e-01  6.9590800000e-01  2.0295200000e-01 -6.2510300000e-01 -1.2232500000e+00  2.1018350000e+00  7.8402000000e-01 -1.8051940000e+00  1.4744320000e+00  1.2129010000e+00 -1.7644390000e+00  2.5065460000e+00  1.0611500000e-01
-ENERGY -1.526563185826e+02
-FORCES -8.0919000000e-03  2.1184700000e-02  5.7575000000e-03 -4.4310000000e-04 -1.0302700000e-02  7.5110000000e-04 -2.8129000000e-03  1.6585000000e-03  1.4715000000e-03  2.3927000000e-03 -1.1934200000e-02 -6.7743000000e-03  6.2764000000e-03  2.0394000000e-03 -4.9954000000e-03  2.6787000000e-03 -2.6456000000e-03  3.7895000000e-03
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5636700000e-01  2.7956400000e-01  3.2359200000e-01 -1.9496100000e-01 -5.0556900000e-01 -7.8906400000e-01  2.4416000000e+00  1.4552080000e+00 -5.4710000000e-02  1.5954300000e+00  1.0107070000e+00 -1.0616300000e-01  3.0536070000e+00  7.7455200000e-01  2.2526600000e-01
-ENERGY -1.526616399577e+02
-FORCES -2.7089000000e-03  9.9990000000e-04 -7.2650000000e-04  3.4515000000e-03 -2.4708000000e-03 -2.4834000000e-03  7.9320000000e-04  2.7594000000e-03  4.1945000000e-03 -8.5577000000e-03 -7.5602000000e-03  1.9465000000e-03  8.7461000000e-03  4.5633000000e-03 -1.7356000000e-03 -1.7242000000e-03  1.7084000000e-03 -1.1954000000e-03
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8855500000e-01 -4.4937900000e-01  7.9437200000e-01 -8.2966100000e-01  4.1017600000e-01  2.4423300000e-01  1.9426000000e+00  1.9253530000e+00  8.4904000000e-01  1.3657440000e+00  1.2211320000e+00  5.5316500000e-01  2.8049520000e+00  1.5158320000e+00  9.1885500000e-01
-ENERGY -1.526589623469e+02
-FORCES -4.9173000000e-03 -3.1600000000e-05  3.2973000000e-03  1.9862000000e-03  6.3217000000e-03 -4.5897000000e-03  4.9703000000e-03 -2.3849000000e-03 -8.7110000000e-04 -4.8915000000e-03 -7.3496000000e-03 -6.0699000000e-03  6.6851000000e-03  3.5472000000e-03  8.2588000000e-03 -3.8328000000e-03 -1.0280000000e-04 -2.5400000000e-05
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2973800000e-01 -4.4446600000e-01 -7.3075800000e-01  4.3527600000e-01 -7.0119500000e-01  4.8486400000e-01  1.5517530000e+00  2.1857410000e+00 -7.1349600000e-01  1.0255800000e+00  1.4093550000e+00 -5.2219000000e-01  2.2761190000e+00  1.8591820000e+00 -1.2472420000e+00
-ENERGY -1.526607437665e+02
-FORCES  1.3313000000e-03 -1.5681000000e-03 -4.4400000000e-04  3.4819000000e-03  2.0013000000e-03  3.7600000000e-03 -2.3410000000e-03  3.0592000000e-03 -3.6392000000e-03 -6.1082000000e-03 -1.1331600000e-02  2.6211000000e-03  6.2154000000e-03  8.0154000000e-03 -4.0089000000e-03 -2.5794000000e-03 -1.7620000000e-04  1.7110000000e-03
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3730800000e-01 -6.8379900000e-01  3.9993900000e-01 -4.6651300000e-01 -4.4459000000e-01 -7.0776900000e-01  1.2281830000e+00 -1.7347850000e+00  1.7072890000e+00  1.6059510000e+00 -2.5998140000e+00  1.5483950000e+00  4.9014000000e-01 -1.8993430000e+00  2.2941840000e+00
-ENERGY -1.526603938280e+02
-FORCES  6.7194000000e-03 -9.6896000000e-03  6.1281000000e-03 -6.0938000000e-03  5.9675000000e-03 -6.3760000000e-03  1.8815000000e-03 -5.2000000000e-06  2.9470000000e-03 -3.6397000000e-03 -5.3400000000e-05  5.3380000000e-04 -3.1063000000e-03  4.1891000000e-03  5.9210000000e-04  4.2388000000e-03 -4.0840000000e-04 -3.8249000000e-03
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4466300000e-01 -2.6850300000e-01  7.3991900000e-01  5.6966300000e-01 -7.5157600000e-01 -1.6385800000e-01 -8.8733000000e-01  1.4327350000e+00 -2.4178700000e+00 -7.3670600000e-01  8.4695700000e-01 -1.6759750000e+00 -1.1882650000e+00  8.5707800000e-01 -3.1209270000e+00
-ENERGY -1.526609918713e+02
-FORCES  1.2039000000e-03 -3.2661000000e-03  3.6821000000e-03  3.0641000000e-03  5.3630000000e-04 -3.7566000000e-03 -3.6761000000e-03  3.2876000000e-03  7.3490000000e-04  1.5313000000e-03 -5.7505000000e-03  5.9870000000e-03 -3.4763000000e-03  4.0672000000e-03 -9.4798000000e-03  1.3531000000e-03  1.1255000000e-03  2.8324000000e-03
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8207500000e-01  7.0744100000e-01 -5.1940200000e-01 -6.1125600000e-01 -7.2955100000e-01 -1.0175700000e-01 -1.6258180000e+00  6.1524800000e-01  2.0478200000e+00 -9.8738900000e-01  4.4290700000e-01  1.3557650000e+00 -1.1318550000e+00  1.0879740000e+00  2.7177170000e+00
-ENERGY -1.526580470882e+02
-FORCES -5.7829000000e-03 -1.3450000000e-04 -2.4850000000e-04  7.7840000000e-04 -3.7388000000e-03  6.5971000000e-03  2.1963000000e-03  7.0086000000e-03  4.0728000000e-03  1.4025300000e-02 -2.8089000000e-03 -9.8885000000e-03 -1.0571500000e-02  7.7700000000e-04  2.3270000000e-03 -6.4570000000e-04 -1.1033000000e-03 -2.8599000000e-03
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1737100000e-01  6.3310900000e-01  2.8000000000e-02 -2.3521200000e-01 -6.5827400000e-01  6.5389800000e-01  2.0194260000e+00  1.5795280000e+00  9.3431900000e-01  2.1353090000e+00  2.1343900000e+00  1.7056360000e+00  1.2417310000e+00  1.0566990000e+00  1.1294450000e+00
-ENERGY -1.526553316505e+02
-FORCES -2.3776000000e-03  9.5580000000e-04 -1.7069000000e-03  4.9818000000e-03 -2.9403000000e-03  2.1058000000e-03  3.2846000000e-03  5.9920000000e-03 -1.3763000000e-03 -7.1101000000e-03 -6.3123000000e-03 -2.5201000000e-03 -2.8655000000e-03 -3.1898000000e-03 -3.0170000000e-03  4.0868000000e-03  5.4946000000e-03  6.5146000000e-03
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0980000000e-01  4.7939000000e-01 -1.7504500000e-01  1.1052200000e-01 -5.7028000000e-01 -7.6078800000e-01 -2.2309130000e+00  1.4714060000e+00 -4.6539300000e-01 -1.9434360000e+00  1.7964660000e+00 -1.3185780000e+00 -2.9386930000e+00  8.5957600000e-01 -6.6773600000e-01
-ENERGY -1.526584200500e+02
-FORCES -1.3631100000e-02  7.7480000000e-03 -2.6237000000e-03  9.2311000000e-03 -6.4468000000e-03 -2.1966000000e-03 -2.1268000000e-03  2.8680000000e-03  1.4752000000e-03  6.8950000000e-04 -1.7625000000e-03 -2.2170000000e-03  2.7700000000e-05 -4.8687000000e-03  5.2490000000e-03  5.8095000000e-03  2.4620000000e-03  3.1310000000e-04
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4688300000e-01 -5.6838400000e-01  6.8763700000e-01 -4.3298700000e-01 -5.9760500000e-01 -6.0960800000e-01  1.6908060000e+00  1.8488190000e+00  1.7893110000e+00  2.0980550000e+00  2.5097450000e+00  2.3492720000e+00  1.4163770000e+00  2.3311360000e+00  1.0093810000e+00
-ENERGY -1.526570843880e+02
-FORCES  6.5360000000e-04 -4.8657000000e-03  2.2936000000e-03 -2.8375000000e-03  4.2300000000e-04 -4.4611000000e-03  1.8675000000e-03  2.4680000000e-03  2.6506000000e-03 -7.9070000000e-04  4.4623000000e-03 -2.7409000000e-03 -1.8021000000e-03 -2.6495000000e-03 -2.4499000000e-03  2.9092000000e-03  1.6190000000e-04  4.7077000000e-03
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0145200000e-01 -7.7491600000e-01  2.5354000000e-01 -5.5462700000e-01  4.4589300000e-01 -6.4015700000e-01 -1.3650450000e+00  2.5582920000e+00  2.1020370000e+00 -8.7713300000e-01  2.9237900000e+00  1.3640770000e+00 -1.2037330000e+00  3.1680970000e+00  2.8220010000e+00
-ENERGY -1.526540855663e+02
-FORCES -5.5002000000e-03 -1.7149000000e-03  1.1650000000e-04  2.4405000000e-03  2.4580000000e-03 -1.8230000000e-03  2.8080000000e-03 -9.8040000000e-04  2.2803000000e-03  4.1527000000e-03  3.1385000000e-03 -2.5640000000e-04 -3.1989000000e-03 -3.3660000000e-04  2.5232000000e-03 -7.0230000000e-04 -2.5647000000e-03 -2.8406000000e-03
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9299200000e-01 -7.2963300000e-01  3.7526800000e-01 -2.9921700000e-01 -3.2423100000e-01 -8.4945600000e-01  7.7413300000e-01 -2.6452640000e+00  1.5426590000e+00  1.6210300000e+00 -3.0857410000e+00  1.4721050000e+00  1.3955100000e-01 -3.2956500000e+00  1.2417680000e+00
-ENERGY -1.526596917324e+02
-FORCES  1.8200000000e-03 -6.9740000000e-03  1.2232000000e-03 -1.9494000000e-03  7.5842000000e-03 -5.5420000000e-03  8.0330000000e-04  7.7310000000e-04  2.8804000000e-03 -7.8000000000e-06 -6.7603000000e-03  1.0423000000e-03 -4.2839000000e-03  2.3316000000e-03 -3.4300000000e-04  3.6178000000e-03  3.0455000000e-03  7.3910000000e-04
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9851500000e-01  5.2405900000e-01 -6.2985000000e-02 -7.3840000000e-02 -6.3633200000e-01 -7.1123900000e-01  1.8668950000e+00  2.0400100000e+00  6.2165700000e-01  1.6629060000e+00  2.9432910000e+00  3.7936900000e-01  1.3354970000e+00  1.5070490000e+00  3.0219000000e-02
-ENERGY -1.526582492081e+02
-FORCES -4.0761000000e-03 -1.6896000000e-03 -2.1600000000e-05  5.5041000000e-03 -1.4839000000e-03 -1.0362000000e-03  4.4270000000e-04  3.9786000000e-03  3.4529000000e-03 -5.5796000000e-03 -5.8151000000e-03 -3.5264000000e-03 -9.6350000000e-04 -3.9703000000e-03  4.4750000000e-04  4.6723000000e-03  8.9804000000e-03  6.8380000000e-04
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9481900000e-01 -3.4180000000e-01 -5.6270000000e-01  4.6263900000e-01  4.6613800000e-01  6.9635700000e-01 -1.6736080000e+00  1.7589160000e+00 -1.5226280000e+00 -1.3551990000e+00  1.3621400000e+00 -7.1181600000e-01 -2.2661680000e+00  2.4528850000e+00 -1.2336460000e+00
-ENERGY -1.526594904980e+02
-FORCES  5.3798000000e-03 -4.5140000000e-04 -3.5380000000e-03 -2.1139000000e-03  9.5970000000e-04  4.2116000000e-03 -3.4618000000e-03 -9.1290000000e-04 -3.8044000000e-03  2.9822000000e-03 -4.6892000000e-03  5.5347000000e-03 -5.8069000000e-03  8.0181000000e-03 -2.9695000000e-03  3.0207000000e-03 -2.9243000000e-03  5.6560000000e-04
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7639000000e-01 -2.5053700000e-01 -6.2925400000e-01 -5.2778600000e-01  6.5155700000e-01 -4.6167800000e-01 -2.1058240000e+00 -1.5440010000e+00  4.2214600000e-01 -1.2372160000e+00 -1.1548530000e+00  5.2370500000e-01 -1.9442110000e+00 -2.3818380000e+00 -1.1608000000e-02
-ENERGY -1.526586102483e+02
-FORCES -8.2393000000e-03 -3.4752000000e-03 -3.9325000000e-03 -4.0806000000e-03  1.0825000000e-03  2.3319000000e-03  4.0572000000e-03 -3.3225000000e-03  2.0633000000e-03  1.5523500000e-02  7.0482000000e-03 -2.8855000000e-03 -7.9378000000e-03 -4.2234000000e-03  1.7438000000e-03  6.7710000000e-04  2.8904000000e-03  6.7900000000e-04
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5871800000e-01  6.4998000000e-02  5.7996000000e-01 -3.2351700000e-01 -4.7378200000e-01 -7.6622400000e-01 -1.0450960000e+00 -1.3479080000e+00 -2.0480520000e+00 -3.4307000000e-01 -1.9978020000e+00 -2.0801330000e+00 -1.8494770000e+00 -1.8589090000e+00 -2.1379490000e+00
-ENERGY -1.526576954069e+02
-FORCES -1.1321500000e-02 -7.3696000000e-03 -1.1933600000e-02  1.7056000000e-03 -3.0990000000e-04 -1.2920000000e-03  8.5421000000e-03 -3.4000000000e-05  3.8342000000e-03  3.5620000000e-04  8.3050000000e-04  6.8101000000e-03 -4.0429000000e-03  5.4191000000e-03  2.7207000000e-03  4.7605000000e-03  1.4639000000e-03 -1.3940000000e-04
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8017200000e-01  6.6284600000e-01  1.1930200000e-01 -3.5539900000e-01 -5.9192000000e-01 -6.6298900000e-01 -1.8079750000e+00  1.8802120000e+00  1.5557800000e-01 -2.4307140000e+00  1.6233100000e+00  8.3559900000e-01 -1.2942760000e+00  2.5829600000e+00  5.5368600000e-01
-ENERGY -1.526581030007e+02
-FORCES -1.6196200000e-02  1.4560300000e-02 -1.7428000000e-03  7.3731000000e-03 -5.8112000000e-03  3.2458000000e-03 -2.2200000000e-04  1.8070000000e-03  2.0633000000e-03  6.1258000000e-03 -4.5062000000e-03  1.7485000000e-03  5.3049000000e-03  2.6510000000e-04 -3.7964000000e-03 -2.3856000000e-03 -6.3149000000e-03 -1.5184000000e-03
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5369600000e-01 -3.9630600000e-01  1.7428900000e-01  5.4733000000e-02  4.1870000000e-02 -9.5471600000e-01  7.7917300000e-01  2.3004370000e+00  9.5995400000e-01  1.4384200000e+00  2.5459440000e+00  3.1083700000e-01  4.4661400000e-01  1.4556830000e+00  6.5659500000e-01
-ENERGY -1.526576526147e+02
-FORCES  3.6120000000e-04  9.5296000000e-03  2.1550000000e-03  4.6289000000e-03  2.1374000000e-03 -2.2154000000e-03 -4.2630000000e-04  4.1120000000e-04  5.5108000000e-03 -4.7472000000e-03 -1.8378200000e-02 -7.7311000000e-03 -2.3886000000e-03 -1.8155000000e-03  4.1880000000e-04  2.5719000000e-03  8.1156000000e-03  1.8619000000e-03
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5934500000e-01 -6.4330400000e-01  6.9065300000e-01 -9.3555900000e-01  1.9248800000e-01  6.2533000000e-02 -9.5708400000e-01 -2.6494230000e+00 -1.6773810000e+00 -2.8774800000e-01 -3.2714030000e+00 -1.3921400000e+00 -1.6004460000e+00 -3.1852090000e+00 -2.1413330000e+00
-ENERGY -1.526530998144e+02
-FORCES -5.1056000000e-03 -4.3464000000e-03  7.0430000000e-04  3.7650000000e-04  2.6268000000e-03 -1.9341000000e-03  3.7307000000e-03  9.0230000000e-04  9.3060000000e-04  1.6508000000e-03 -4.5036000000e-03 -1.3605000000e-03 -3.2087000000e-03  2.3513000000e-03 -5.7200000000e-04  2.5564000000e-03  2.9697000000e-03  2.2317000000e-03
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7225800000e-01 -7.2552000000e-01 -2.4974400000e-01 -1.7337600000e-01  1.3255700000e-01  9.3198800000e-01 -1.8962660000e+00  6.4040400000e-01  2.2983520000e+00 -2.2848830000e+00  1.3180610000e+00  1.7451890000e+00 -2.5181670000e+00 -8.6251000000e-02  2.2603420000e+00
-ENERGY -1.526591249732e+02
-FORCES -5.4872000000e-03 -1.5291000000e-03  7.2456000000e-03  1.4707000000e-03  2.3424000000e-03  2.0850000000e-04  4.6293000000e-03 -1.2310000000e-03 -6.8840000000e-03 -5.7814000000e-03  1.2557000000e-03 -2.7725000000e-03  1.6558000000e-03 -3.7626000000e-03  3.0107000000e-03  3.5128000000e-03  2.9246000000e-03 -8.0830000000e-04
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6611700000e-01 -4.3665200000e-01  5.3090100000e-01 -4.5345600000e-01  2.3275000000e-01 -8.1020800000e-01  1.6587070000e+00  1.5357640000e+00  1.7902840000e+00  1.2304480000e+00  1.0011050000e+00  1.1217300000e+00  2.2961070000e+00  9.4790100000e-01  2.1957100000e+00
-ENERGY -1.526617611057e+02
-FORCES -4.0413000000e-03  1.0255000000e-03 -5.4880000000e-04  3.1339000000e-03  1.8959000000e-03 -3.1938000000e-03  9.5070000000e-04 -2.0859000000e-03  4.0266000000e-03 -3.3507000000e-03 -6.4266000000e-03 -6.3428000000e-03  5.9324000000e-03  4.4124000000e-03  7.4184000000e-03 -2.6250000000e-03  1.1787000000e-03 -1.3596000000e-03
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8173500000e-01 -6.5713700000e-01 -1.4014600000e-01 -7.5241500000e-01 -4.9886600000e-01  3.1817800000e-01  3.2759500000e-01 -2.3428280000e+00  2.7852490000e+00  1.0247970000e+00 -2.2158820000e+00  2.1418000000e+00  7.6952400000e-01 -2.7175120000e+00  3.5471820000e+00
-ENERGY -1.526543608477e+02
-FORCES -1.7064000000e-03 -4.6246000000e-03  1.3183000000e-03 -1.8421000000e-03  2.1907000000e-03  1.5315000000e-03  3.4917000000e-03  2.5322000000e-03 -2.7120000000e-03  5.1937000000e-03 -6.7040000000e-04  2.0075000000e-03 -3.4000000000e-03 -1.0000000000e-03  1.1806000000e-03 -1.7368000000e-03  1.5721000000e-03 -3.3258000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3084000000e-01 -2.6790900000e-01  7.5011000000e-01 -3.3792800000e-01  8.6253800000e-01  2.4096700000e-01  2.2868680000e+00  2.1752300000e-01 -1.5043410000e+00  1.5057840000e+00  2.0015100000e-01 -9.5131600000e-01  2.8036450000e+00 -5.3384100000e-01 -1.2134350000e+00
-ENERGY -1.526580698768e+02
-FORCES  1.1566000000e-03  2.5828000000e-03  1.9303000000e-03  3.3530000000e-04  2.2606000000e-03 -7.4126000000e-03  3.0452000000e-03 -4.9166000000e-03 -1.3542000000e-03 -1.2940600000e-02 -3.3537000000e-03  6.7227000000e-03  1.1042700000e-02  1.1239000000e-03 -7.1930000000e-04 -2.6393000000e-03  2.3031000000e-03  8.3300000000e-04
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1153800000e-01 -5.5031900000e-01 -7.5407700000e-01 -6.2480900000e-01  7.2355200000e-01 -4.8136000000e-02 -1.1326770000e+00 -3.2905940000e+00  6.7029600000e-01 -6.0160100000e-01 -3.8245930000e+00  1.2610880000e+00 -1.5391450000e+00 -3.9217100000e+00  7.6404000000e-02
-ENERGY -1.526541575604e+02
-FORCES -4.4767000000e-03 -1.6179000000e-03 -2.5697000000e-03  1.6032000000e-03  4.0115000000e-03  1.4514000000e-03  2.5316000000e-03 -2.5713000000e-03  1.2670000000e-04  1.1624000000e-03 -4.9095000000e-03  1.6952000000e-03 -2.6172000000e-03  1.7044000000e-03 -2.6562000000e-03  1.7968000000e-03  3.3827000000e-03  1.9526000000e-03
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8723000000e-01  5.1085000000e-01 -1.8850200000e-01 -2.8940100000e-01 -3.1911100000e-01 -8.5477900000e-01 -2.7067350000e+00 -1.3875560000e+00  2.0024510000e+00 -2.3499770000e+00 -2.0361060000e+00  1.3955410000e+00 -3.5909050000e+00 -1.6997530000e+00  2.1948290000e+00
-ENERGY -1.526530299333e+02
-FORCES  2.0511000000e-03  1.8645000000e-03 -4.0512000000e-03 -3.3663000000e-03 -2.1266000000e-03  7.5430000000e-04  1.1138000000e-03  5.1830000000e-04  3.7716000000e-03 -9.0550000000e-04 -3.7236000000e-03 -1.9697000000e-03 -2.5881000000e-03  1.9069000000e-03  2.3388000000e-03  3.6951000000e-03  1.5604000000e-03 -8.4380000000e-04
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.6319000000e-02  4.5964500000e-01 -8.3407500000e-01  8.0436400000e-01 -5.0948800000e-01 -9.8245000000e-02  1.8099520000e+00 -1.9579580000e+00  2.7029300000e-01  2.6032460000e+00 -1.4791970000e+00  3.0076000000e-02  1.8501290000e+00 -2.7632100000e+00 -2.4564000000e-01
-ENERGY -1.526559208622e+02
-FORCES  8.1475000000e-03 -1.0885100000e-02  2.3320000000e-04  2.1953000000e-03 -3.1724000000e-03  2.3185000000e-03 -2.1950000000e-04  1.0173800000e-02 -2.2442000000e-03 -2.7557000000e-03 -9.5480000000e-04 -2.2105000000e-03 -8.4268000000e-03  4.5980000000e-04 -7.4130000000e-04  1.0591000000e-03  4.3786000000e-03  2.6441000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3012700000e-01  3.8647100000e-01  2.7885800000e-01 -2.3707700000e-01 -5.8358100000e-01 -7.2073600000e-01  8.0704800000e-01 -2.7612120000e+00 -1.8033090000e+00  5.9580400000e-01 -3.0220900000e+00 -9.0689800000e-01  1.6685000000e+00 -2.3492740000e+00 -1.7366810000e+00
-ENERGY -1.526585904286e+02
-FORCES -4.2794000000e-03 -5.0000000000e-04 -3.1869000000e-03  3.1210000000e-03 -1.9384000000e-03 -1.2352000000e-03  5.1710000000e-04  4.0124000000e-03  5.9123000000e-03  5.3387000000e-03 -1.7915000000e-03  3.8827000000e-03 -2.9050000000e-04  2.0326000000e-03 -4.6560000000e-03 -4.4068000000e-03 -1.8151000000e-03 -7.1700000000e-04
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9909500000e-01  6.1279500000e-01  2.2799200000e-01  2.5251900000e-01 -3.9693300000e-01  8.3361300000e-01  9.9566600000e-01 -8.9887000000e-01  2.1145030000e+00  1.8201330000e+00 -1.3743850000e+00  2.2163420000e+00  3.1936300000e-01 -1.5444600000e+00  2.3195870000e+00
-ENERGY -1.526524346450e+02
-FORCES  1.2625800000e-02 -6.8011000000e-03  2.1058100000e-02  2.2834000000e-03 -3.1605000000e-03  2.2184000000e-03 -9.4824000000e-03 -2.4524000000e-03 -1.2673000000e-03 -2.6669000000e-03  5.0232000000e-03 -1.7327900000e-02 -5.5467000000e-03  1.2832000000e-03  1.1809000000e-03  2.7868000000e-03  6.1076000000e-03 -5.8623000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4721200000e-01  6.7546700000e-01 -2.0271200000e-01 -3.8033300000e-01 -8.0794700000e-01 -3.4467400000e-01 -1.5227190000e+00 -3.8984900000e-01  2.3032710000e+00 -9.4710000000e-01 -7.0016000000e-02  1.6085760000e+00 -9.4282100000e-01 -8.7279200000e-01  2.8920970000e+00
-ENERGY -1.526587859164e+02
-FORCES -5.0795000000e-03 -2.8995000000e-03 -2.7039000000e-03  2.5840000000e-03 -5.0137000000e-03  6.0116000000e-03  1.9632000000e-03  4.7551000000e-03  2.9072000000e-03  1.1594800000e-02  9.6260000000e-04 -7.7530000000e-03 -9.2178000000e-03  1.2457000000e-03  3.6813000000e-03 -1.8447000000e-03  9.4980000000e-04 -2.1431000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5443600000e-01 -2.1909000000e-01  6.6328300000e-01 -4.8739900000e-01  4.8219400000e-01 -6.6795400000e-01 -2.5292890000e+00 -5.9584000000e-02  1.5762700000e+00 -2.0948730000e+00  3.8899300000e-01  2.3017310000e+00 -2.8843550000e+00  6.4617800000e-01  1.0358440000e+00
-ENERGY -1.526583310700e+02
-FORCES -1.0484500000e-02 -1.1818000000e-03  2.3367000000e-03  8.4554000000e-03  2.7907000000e-03 -1.8949000000e-03  1.5558000000e-03 -5.6310000000e-04  2.0536000000e-03 -2.5311000000e-03  5.7521000000e-03  1.3542000000e-03 -1.9250000000e-04 -3.1274000000e-03 -5.6617000000e-03  3.1970000000e-03 -3.6705000000e-03  1.8121000000e-03
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9871000000e-01  7.3358300000e-01  3.5968900000e-01 -8.9522500000e-01  3.3098700000e-01 -7.2462000000e-02  1.2825350000e+00 -6.9128600000e-01 -2.4240450000e+00  7.0362900000e-01 -4.7828300000e-01 -1.6921090000e+00  1.8505450000e+00  7.4198000000e-02 -2.5114040000e+00
-ENERGY -1.526599611001e+02
-FORCES  1.4480000000e-04  3.3503000000e-03  1.3807000000e-03 -2.8574000000e-03 -3.3117000000e-03 -2.9402000000e-03  5.4600000000e-03 -1.3586000000e-03 -5.3660000000e-04 -4.4816000000e-03  4.6146000000e-03  1.1017300000e-02  3.4044000000e-03 -1.4563000000e-03 -9.7996000000e-03 -1.6702000000e-03 -1.8383000000e-03  8.7840000000e-04
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8652800000e-01  7.0917200000e-01 -6.1523500000e-01 -6.0468900000e-01 -6.9898600000e-01 -2.4900100000e-01  2.1888420000e+00 -1.7887740000e+00 -1.5469900000e-01  2.3485840000e+00 -2.1650120000e+00  7.1084100000e-01  1.5775150000e+00 -1.0697980000e+00  5.2540000000e-03
-ENERGY -1.526617126531e+02
-FORCES -2.0557000000e-03 -5.9310000000e-04 -4.3293000000e-03 -1.2550000000e-04 -3.9227000000e-03  2.7424000000e-03  3.8689000000e-03  3.8297000000e-03  1.3737000000e-03 -6.4941000000e-03  7.8927000000e-03  3.2702000000e-03 -1.6044000000e-03  1.4449000000e-03 -2.5710000000e-03  6.4108000000e-03 -8.6514000000e-03 -4.8620000000e-04
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3338800000e-01 -3.5472500000e-01 -8.2416900000e-01 -7.6623000000e-01  3.7690000000e-02  5.7245300000e-01 -1.7612990000e+00 -1.2657470000e+00 -1.7638890000e+00 -2.2022190000e+00 -9.9258300000e-01 -2.5683790000e+00 -2.4663470000e+00 -1.5834930000e+00 -1.1998180000e+00
-ENERGY -1.526590149607e+02
-FORCES -1.0278800000e-02 -5.2536000000e-03 -7.3943000000e-03  6.0894000000e-03  3.6156000000e-03  3.9136000000e-03  1.9118000000e-03 -2.7110000000e-04 -2.6840000000e-04 -2.2270000000e-03  9.0270000000e-04  2.1895000000e-03  1.6256000000e-03 -1.4068000000e-03  4.4510000000e-03  2.8789000000e-03  2.4132000000e-03 -2.8913000000e-03
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1443200000e-01 -5.6788300000e-01 -7.4010800000e-01  1.2058200000e-01 -6.0011000000e-01  7.3590800000e-01  2.5420510000e+00 -1.2157580000e+00 -1.8032290000e+00  3.0450080000e+00 -6.9218900000e-01 -1.1794170000e+00  3.1928890000e+00 -1.5349150000e+00 -2.4283530000e+00
-ENERGY -1.526565042312e+02
-FORCES  4.1740000000e-04 -5.9665000000e-03 -2.0898000000e-03 -1.5868000000e-03  2.8591000000e-03  4.1117000000e-03 -2.4640000000e-04  2.7569000000e-03 -2.2846000000e-03  4.9857000000e-03  2.2896000000e-03  5.7090000000e-04 -7.3270000000e-04 -3.3800000000e-03 -3.0183000000e-03 -2.8372000000e-03  1.4409000000e-03  2.7101000000e-03
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5508200000e-01  4.3016400000e-01 -5.0780000000e-03 -1.4203000000e-01 -8.1057600000e-01  4.8890200000e-01 -1.5276090000e+00 -2.6382830000e+00 -1.6799990000e+00 -2.0007320000e+00 -1.9454440000e+00 -2.1408250000e+00 -1.6694310000e+00 -2.4496770000e+00 -7.5234300000e-01
-ENERGY -1.526518051497e+02
-FORCES -2.7269000000e-03 -1.8794000000e-03  1.5336000000e-03  3.1065000000e-03 -2.6609000000e-03 -4.3440000000e-04 -1.0657000000e-03  3.1150000000e-03 -1.9243000000e-03 -1.3419000000e-03  5.2725000000e-03  1.0457000000e-03  1.0403000000e-03 -3.3114000000e-03  2.0157000000e-03  9.8770000000e-04 -5.3570000000e-04 -2.2363000000e-03
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6278900000e-01  1.5512100000e-01  5.5706500000e-01 -3.4564000000e-01 -4.8160900000e-01 -7.5154300000e-01  1.3967250000e+00 -1.5733070000e+00  1.9107660000e+00  1.8181710000e+00 -2.3951190000e+00  1.6592890000e+00  1.1306610000e+00 -1.1764250000e+00  1.0813530000e+00
-ENERGY -1.526608731382e+02
-FORCES -5.6422000000e-03 -1.8850000000e-04  1.6161000000e-03  3.6127000000e-03 -9.9860000000e-04 -3.9433000000e-03  2.3468000000e-03  1.2457000000e-03  4.4847000000e-03 -2.8374000000e-03  4.5312000000e-03 -8.2361000000e-03 -2.1688000000e-03  3.0564000000e-03 -7.6660000000e-04  4.6888000000e-03 -7.6463000000e-03  6.8451000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0136500000e-01  3.9138300000e-01 -7.1532100000e-01  3.7179400000e-01  7.4689200000e-01  4.6920500000e-01  3.1354150000e+00  2.1948700000e-01  1.0581130000e+00  3.8363740000e+00 -3.0935900000e-01  6.7705000000e-01  2.7600890000e+00  6.9184700000e-01  3.1498500000e-01
-ENERGY -1.526539146376e+02
-FORCES -1.8179000000e-03  3.8731000000e-03  1.2451000000e-03  3.0481000000e-03 -1.7670000000e-03  2.9145000000e-03 -4.4050000000e-04 -2.2769000000e-03 -4.3842000000e-03  8.1920000000e-04 -2.7920000000e-03 -5.8773000000e-03 -2.2273000000e-03  2.5051000000e-03  1.7139000000e-03  6.1830000000e-04  4.5780000000e-04  4.3880000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8099100000e-01 -4.5664000000e-01  6.0840900000e-01  5.3508600000e-01  5.6496100000e-01  5.5743400000e-01  2.1886430000e+00 -1.5464180000e+00  2.4603000000e-02  1.4843920000e+00 -9.3124100000e-01 -1.7989600000e-01  2.8842430000e+00 -1.0012820000e+00  3.9229800000e-01
-ENERGY -1.526562393726e+02
-FORCES  2.9433000000e-03 -5.6423000000e-03  6.4207000000e-03  3.0787000000e-03  3.4442000000e-03 -2.9969000000e-03  1.4044000000e-03 -6.4807000000e-03 -4.6680000000e-03 -1.2820300000e-02  9.5360000000e-03 -2.2992000000e-03  9.9714000000e-03 -1.1282000000e-03  4.0552000000e-03 -4.5775000000e-03  2.7100000000e-04 -5.1190000000e-04
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0658300000e-01 -6.0606500000e-01  4.2541200000e-01  3.9037200000e-01  4.9426600000e-01  7.2079300000e-01 -1.8412940000e+00 -1.8652160000e+00  8.8312800000e-01 -2.5445690000e+00 -1.6762800000e+00  1.5043670000e+00 -2.2784350000e+00 -2.2992520000e+00  1.5049400000e-01
-ENERGY -1.526612209173e+02
-FORCES -7.4810000000e-03 -8.0798000000e-03  6.0657000000e-03  7.0934000000e-03  7.3246000000e-03 -3.1383000000e-03 -2.2895000000e-03 -1.9665000000e-03 -1.2258000000e-03 -1.6381000000e-03  1.8162000000e-03 -2.9592000000e-03  3.2027000000e-03 -1.1915000000e-03 -3.3692000000e-03  1.1126000000e-03  2.0970000000e-03  4.6268000000e-03
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5802600000e-01  7.1152600000e-01  4.4740800000e-01 -8.2518600000e-01 -9.1232000000e-02  4.7642100000e-01  1.5535640000e+00 -2.2078830000e+00 -6.4564400000e-01  1.0715380000e+00 -2.8986360000e+00 -1.1003340000e+00  8.9690000000e-01 -1.5347930000e+00 -4.6683000000e-01
-ENERGY -1.526611446478e+02
-FORCES  2.5345000000e-03  1.7830000000e-04  3.0023000000e-03 -3.8338000000e-03 -2.9825000000e-03 -1.5363000000e-03  4.3253000000e-03  4.2920000000e-04 -2.2563000000e-03 -7.8726000000e-03  8.8569000000e-03  1.4061000000e-03  6.9600000000e-05  2.8669000000e-03  1.9011000000e-03  4.7770000000e-03 -9.3489000000e-03 -2.5170000000e-03
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4577500000e-01 -3.8739100000e-01  6.8431700000e-01  5.0633800000e-01  6.7580400000e-01  4.5071300000e-01  2.3031320000e+00 -1.4911140000e+00 -2.3499000000e-02  1.5504280000e+00 -9.0662900000e-01 -1.1320000000e-01  3.0328950000e+00 -9.1101300000e-01  1.9366700000e-01
-ENERGY -1.526577043024e+02
-FORCES  4.0180000000e-04 -2.2571000000e-03  5.4759000000e-03  3.2435000000e-03  2.8906000000e-03 -3.5215000000e-03  1.2540000000e-03 -7.1373000000e-03 -3.4271000000e-03 -1.1364300000e-02  7.7506000000e-03 -1.7071000000e-03  1.0826900000e-02 -1.2244000000e-03  3.3159000000e-03 -4.3618000000e-03 -2.2400000000e-05 -1.3610000000e-04
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1266700000e-01 -5.7485700000e-01  5.6828100000e-01 -3.5655800000e-01 -5.8189400000e-01 -6.7119100000e-01 -1.5251140000e+00  1.9531340000e+00  1.0475870000e+00 -1.0410530000e+00  1.2899730000e+00  5.5551700000e-01 -1.8746440000e+00  2.5411850000e+00  3.7806700000e-01
-ENERGY -1.526601507323e+02
-FORCES -2.9045000000e-03  1.1987000000e-03  4.7964000000e-03 -2.4817000000e-03  1.3246000000e-03 -4.4018000000e-03  1.8069000000e-03  3.0093000000e-03  3.6921000000e-03  8.7058000000e-03 -9.6323000000e-03 -6.6379000000e-03 -6.6776000000e-03  7.3135000000e-03  1.9254000000e-03  1.5512000000e-03 -3.2137000000e-03  6.2590000000e-04
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6551600000e-01  6.8174700000e-01  9.2419000000e-02 -4.0503900000e-01 -6.5533900000e-01 -5.6807300000e-01  2.9910890000e+00  1.9802500000e-01  4.7295100000e-01  2.6587810000e+00 -6.3668800000e-01  1.4271100000e-01  3.4972550000e+00 -3.6071000000e-02  1.2509150000e+00
-ENERGY -1.526530170005e+02
-FORCES -3.9923000000e-03  2.9981000000e-03 -1.0928000000e-03  2.2482000000e-03 -3.3533000000e-03 -4.2130000000e-04  3.4260000000e-03  2.2151000000e-03  2.6383000000e-03 -3.7612000000e-03 -4.7127000000e-03  1.1429000000e-03  4.3963000000e-03  1.6534000000e-03  5.8590000000e-04 -2.3171000000e-03  1.1995000000e-03 -2.8531000000e-03
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9975200000e-01 -6.5218000000e-01 -3.5201000000e-02 -4.0878800000e-01 -1.3254300000e-01  8.5531100000e-01 -1.7147360000e+00  1.4803200000e+00 -1.7587890000e+00 -1.2276770000e+00  7.9736000000e-01 -1.2977340000e+00 -2.1694820000e+00  1.0173550000e+00 -2.4624240000e+00
-ENERGY -1.526610571535e+02
-FORCES  1.5905000000e-03 -1.5013000000e-03  2.5592000000e-03 -3.4860000000e-03  2.6784000000e-03  1.3221000000e-03  2.3214000000e-03 -2.0760000000e-04 -4.5028000000e-03  5.1605000000e-03 -6.3234000000e-03  3.4005000000e-03 -7.6508000000e-03  4.6907000000e-03 -5.4006000000e-03  2.0645000000e-03  6.6310000000e-04  2.6217000000e-03
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8839800000e-01  4.8645900000e-01  6.6412100000e-01  5.8780800000e-01 -5.6567200000e-01  5.0072900000e-01  1.5874910000e+00 -1.2225710000e+00  1.7105570000e+00  9.3020900000e-01 -1.3906740000e+00  2.3857990000e+00  2.2469860000e+00 -6.8300500000e-01  2.1466390000e+00
-ENERGY -1.526567923979e+02
-FORCES  1.2437900000e-02 -7.6521000000e-03  1.3786100000e-02  1.5089000000e-03 -1.9157000000e-03 -6.3480000000e-04 -7.7836000000e-03  1.9574000000e-03 -4.0098000000e-03 -4.2138000000e-03  7.4680000000e-03 -3.2755000000e-03  2.4578000000e-03  3.3278000000e-03 -5.1101000000e-03 -4.4072000000e-03 -3.1855000000e-03 -7.5580000000e-04
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4649400000e-01  6.9444000000e-01 -1.2661200000e-01 -4.7770700000e-01 -3.7148000000e-02 -8.2864200000e-01 -2.3332990000e+00 -5.7762000000e-02  1.6124540000e+00 -1.4994540000e+00  1.9824400000e-01  1.2182520000e+00 -2.7976450000e+00  7.6801000000e-01  1.7492510000e+00
-ENERGY -1.526606692897e+02
-FORCES  5.1010000000e-04  2.3130000000e-04 -4.4553000000e-03 -4.1661000000e-03 -2.9845000000e-03  4.6020000000e-04  2.5721000000e-03  1.6423000000e-03  4.9207000000e-03  8.6185000000e-03  2.4265000000e-03 -3.9398000000e-03 -1.0119400000e-02  9.1470000000e-04  4.4521000000e-03  2.5847000000e-03 -2.2303000000e-03 -1.4380000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4403600000e-01 -5.5101500000e-01 -5.6270700000e-01  5.1214000000e-01  7.9966600000e-01  1.2033000000e-01  2.3502060000e+00 -7.9709500000e-01  2.5718540000e+00  1.5250360000e+00 -1.2790500000e+00  2.5166620000e+00  2.6532020000e+00 -7.3548900000e-01  1.6659680000e+00
-ENERGY -1.526550605588e+02
-FORCES  3.1603000000e-03  2.7970000000e-03 -2.5525000000e-03 -1.4577000000e-03  1.8863000000e-03  3.7109000000e-03 -1.8518000000e-03 -4.1491000000e-03 -1.0864000000e-03 -4.1574000000e-03 -1.9012000000e-03 -4.2402000000e-03  4.7212000000e-03  1.0251000000e-03  1.2935000000e-03 -4.1450000000e-04  3.4190000000e-04  2.8747000000e-03
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3110900000e-01  7.7453400000e-01 -5.1275500000e-01 -3.4055400000e-01  1.8167800000e-01  8.7592700000e-01  2.3337420000e+00  2.9270400000e-01  3.1086860000e+00  1.6281580000e+00 -3.4333600000e-01  3.2263150000e+00  2.5680360000e+00  5.5841100000e-01  3.9979210000e+00
-ENERGY -1.526535471910e+02
-FORCES -1.2034000000e-03  5.0462000000e-03  1.5416000000e-03  5.3200000000e-04 -3.3157000000e-03  1.8067000000e-03  7.5500000000e-04 -1.8268000000e-03 -3.1214000000e-03 -1.0461000000e-03 -2.3582000000e-03  4.0231000000e-03  2.0115000000e-03  3.4274000000e-03 -3.3280000000e-04 -1.0490000000e-03 -9.7290000000e-04 -3.9172000000e-03
-
-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9102800000e-01 -7.4999300000e-01 -5.6325000000e-01 -6.8879100000e-01 -1.7280000000e-02  6.6445500000e-01 -1.9482500000e+00 -2.0883900000e-01  1.6826710000e+00 -1.4504040000e+00 -5.4286100000e-01  2.4288690000e+00 -2.2936780000e+00 -9.9221800000e-01  1.2546190000e+00
-ENERGY -1.526541050247e+02
-FORCES -1.9433100000e-02 -9.9790000000e-04  1.4386700000e-02 -1.5194000000e-03  1.3152000000e-03  3.2139000000e-03  8.1602000000e-03 -4.3570000000e-03 -4.1474000000e-03  8.1264000000e-03 -2.8628000000e-03 -6.4852000000e-03 -9.4520000000e-04  2.0765000000e-03 -7.3106000000e-03  5.6111000000e-03  4.8261000000e-03  3.4250000000e-04
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1035800000e-01 -2.9572400000e-01 -5.1750000000e-03  2.2479500000e-01  1.0096600000e-01 -9.2493500000e-01 -2.0548820000e+00 -1.9326050000e+00  3.2849300000e-01 -2.7388490000e+00 -1.4945610000e+00  8.3498800000e-01 -2.4738060000e+00 -2.1475010000e+00 -5.0490700000e-01
-ENERGY -1.526564993086e+02
-FORCES -7.3454000000e-03 -8.2212000000e-03 -1.4324000000e-03  3.3384000000e-03  8.8553000000e-03 -1.1450000000e-03 -1.4903000000e-03 -9.5420000000e-04  2.8451000000e-03 -2.7817000000e-03 -2.4809000000e-03 -1.5780000000e-04  5.2846000000e-03 -5.6300000000e-05 -4.0347000000e-03  2.9943000000e-03  2.8573000000e-03  3.9247000000e-03
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7364400000e-01 -4.3415000000e-01  6.3140900000e-01  7.3946600000e-01 -5.9887500000e-01 -1.0377900000e-01 -6.6563100000e-01  1.3952640000e+00 -2.1123000000e+00 -5.9375800000e-01  9.2341500000e-01 -1.2825870000e+00 -1.3814850000e+00  2.0155600000e+00 -1.9743960000e+00
-ENERGY -1.526588969805e+02
-FORCES -6.7840000000e-04  2.1810000000e-03 -8.8544000000e-03  3.2161000000e-03  1.9935000000e-03 -3.4227000000e-03 -4.4743000000e-03  1.8885000000e-03  2.5232000000e-03  3.9251000000e-03 -8.2847000000e-03  1.4428800000e-02 -3.7213000000e-03  5.2273000000e-03 -6.5073000000e-03  1.7328000000e-03 -3.0055000000e-03  1.8323000000e-03
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5782600000e-01 -6.1090700000e-01 -5.7742600000e-01  4.3529400000e-01 -5.5875700000e-01  6.4384900000e-01 -2.0189530000e+00  4.7306400000e-01 -2.7532330000e+00 -1.1587620000e+00  8.8446100000e-01 -2.6692390000e+00 -1.8781140000e+00 -2.5662800000e-01 -3.3565120000e+00
-ENERGY -1.526563332316e+02
-FORCES -1.5663000000e-03 -4.7360000000e-03  1.1306000000e-03  4.6481000000e-03  2.1261000000e-03  2.3649000000e-03 -2.0165000000e-03  2.0105000000e-03 -2.8092000000e-03  3.5120000000e-03  1.5312000000e-03 -3.3616000000e-03 -4.3596000000e-03 -3.3522000000e-03 -1.0283000000e-03 -2.1770000000e-04  2.4205000000e-03  3.7037000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5529000000e-01 -4.8803400000e-01  6.0803600000e-01  6.0766400000e-01  3.5116400000e-01 -6.5089200000e-01 -6.9826400000e-01 -2.3229330000e+00 -1.0087040000e+00 -1.5888810000e+00 -2.6733700000e+00 -1.0237540000e+00 -7.4710600000e-01 -1.5685030000e+00 -4.2160800000e-01
-ENERGY -1.526574009485e+02
-FORCES  3.4127000000e-03 -6.8789000000e-03 -8.1023000000e-03 -5.8234000000e-03 -2.8750000000e-04 -4.6514000000e-03 -1.8568000000e-03 -5.6960000000e-04  4.6812000000e-03  1.6124000000e-03  1.4458300000e-02  4.6531000000e-03  2.6304000000e-03  3.6181000000e-03  1.3308000000e-03  2.4600000000e-05 -1.0340500000e-02  2.0887000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8104700000e-01 -5.8315600000e-01 -3.3516600000e-01  7.9067000000e-01 -5.3924500000e-01  1.6997000000e-02  1.1304020000e+00  1.0212010000e+00 -3.1240010000e+00  1.5274760000e+00  1.2536580000e+00 -2.2846400000e+00  3.8768200000e-01  4.6375300000e-01 -2.8919430000e+00
-ENERGY -1.526561182208e+02
-FORCES -5.4250000000e-04 -5.6418000000e-03  1.4417000000e-03  3.5144000000e-03  3.0310000000e-03  2.5120000000e-04 -3.3782000000e-03  3.3524000000e-03 -1.2230000000e-03 -2.9417000000e-03 -2.8010000000e-04  6.9485000000e-03  7.8210000000e-04 -1.0106000000e-03 -4.4687000000e-03  2.5658000000e-03  5.4920000000e-04 -2.9496000000e-03
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2792200000e-01  1.9456500000e-01  1.3167100000e-01  1.0271500000e-01 -9.0004300000e-01  3.0919900000e-01  1.2229950000e+00 -8.6801200000e-01 -2.3035600000e+00  6.3576700000e-01 -4.4154600000e-01 -1.6794430000e+00  1.6623370000e+00 -1.5483770000e+00 -1.7933510000e+00
-ENERGY -1.526576504897e+02
-FORCES -1.1811000000e-03 -3.4068000000e-03  1.1540000000e-04  5.0968000000e-03 -1.7739000000e-03 -1.1704000000e-03  3.9300000000e-04  4.3437000000e-03 -4.5627000000e-03 -4.8958000000e-03  5.1005000000e-03  1.2901700000e-02  2.8321000000e-03 -5.7180000000e-03 -6.8700000000e-03 -2.2450000000e-03  1.4545000000e-03 -4.1400000000e-04
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9589500000e-01 -3.2920800000e-01 -8.4870500000e-01 -8.0628100000e-01  2.2227500000e-01  4.6555100000e-01  1.7062680000e+00 -1.8334420000e+00  1.5463780000e+00  1.3267380000e+00 -1.2664760000e+00  8.7500800000e-01  2.2184290000e+00 -1.2423290000e+00  2.0981990000e+00
-ENERGY -1.526612584462e+02
-FORCES -5.6034000000e-03 -4.3670000000e-04  4.1590000000e-04  1.4653000000e-03  1.1241000000e-03  4.5876000000e-03  3.3002000000e-03 -3.8940000000e-04 -3.3158000000e-03 -3.6158000000e-03  8.4138000000e-03 -3.9175000000e-03  6.2865000000e-03 -6.9345000000e-03  3.6118000000e-03 -1.8329000000e-03 -1.7774000000e-03 -1.3820000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1905900000e-01 -4.1683500000e-01  6.8779200000e-01 -4.8723500000e-01  7.9383500000e-01 -2.2059100000e-01  2.8703210000e+00 -2.3050570000e+00 -6.8416300000e-01  2.4833280000e+00 -1.8571700000e+00 -1.4364030000e+00  2.1697240000e+00 -2.3285710000e+00 -3.2363000000e-02
-ENERGY -1.526562195899e+02
-FORCES -4.7085000000e-03  3.1187000000e-03  2.0959000000e-03  2.6825000000e-03  1.1859000000e-03 -3.0582000000e-03  1.8344000000e-03 -3.4614000000e-03  1.0251000000e-03 -5.7753000000e-03  3.8332000000e-03 -1.9990000000e-04  2.7248000000e-03 -2.8248000000e-03  1.7908000000e-03  3.2422000000e-03 -1.8515000000e-03 -1.6536000000e-03
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0878000000e-01  4.0180700000e-01  7.0422000000e-01  6.4864600000e-01  6.6318300000e-01 -2.3596200000e-01  1.8729380000e+00  2.1022810000e+00 -8.2419000000e-01  2.5711490000e+00  2.0188540000e+00 -1.4736310000e+00  1.2597100000e+00  2.7277810000e+00 -1.2101070000e+00
-ENERGY -1.526614550607e+02
-FORCES  6.2805000000e-03  7.2940000000e-03  8.9300000000e-05  1.5166000000e-03 -4.7980000000e-04 -2.7056000000e-03 -8.5414000000e-03 -6.0953000000e-03  2.3867000000e-03  1.7100000000e-03  1.7088000000e-03 -4.8083000000e-03 -3.6344000000e-03  1.5631000000e-03  2.6961000000e-03  2.6689000000e-03 -3.9908000000e-03  2.3418000000e-03
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0769800000e-01 -2.3446100000e-01 -7.0140100000e-01  5.5570100000e-01  3.7317100000e-01  6.8423100000e-01  1.2992630000e+00 -5.6388600000e-01 -2.3137700000e+00  2.2229620000e+00 -8.1023400000e-01 -2.3619780000e+00  1.2919740000e+00  3.7635000000e-01 -2.4930300000e+00
-ENERGY -1.526587768843e+02
-FORCES  8.0173000000e-03 -5.0897000000e-03 -1.0185700000e-02 -3.8158000000e-03  7.4293000000e-03  7.8556000000e-03 -2.4810000000e-04 -1.2428000000e-03 -3.8857000000e-03  5.4100000000e-04  2.3304000000e-03  1.6480000000e-04 -4.9741000000e-03  2.4537000000e-03  1.2472000000e-03  4.7970000000e-04 -5.8809000000e-03  4.8038000000e-03
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3878500000e-01 -6.5489800000e-01 -2.8159300000e-01  8.4460600000e-01 -4.4599400000e-01 -6.2947000000e-02 -8.0430400000e-01  2.3232670000e+00 -1.0202810000e+00 -1.9531500000e-01  2.9746240000e+00 -1.3682740000e+00 -2.4571900000e-01  1.6865760000e+00 -5.7436800000e-01
-ENERGY -1.526593602492e+02
-FORCES -4.5304000000e-03  2.0428000000e-03 -5.4142000000e-03  4.7200000000e-03  1.3425000000e-03  2.1520000000e-03 -4.2133000000e-03  2.4442000000e-03 -5.0840000000e-04  5.4091000000e-03 -1.1344200000e-02  5.3697000000e-03 -1.8300000000e-04 -3.8100000000e-03  1.7869000000e-03 -1.2025000000e-03  9.3246000000e-03 -3.3860000000e-03
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0127800000e-01  5.3849400000e-01  7.8485600000e-01 -7.6343400000e-01 -5.7738800000e-01  4.9500000000e-03 -8.6087100000e-01  1.1291830000e+00 -2.2273890000e+00 -1.5354580000e+00  1.8060320000e+00 -2.2825320000e+00 -6.4636900000e-01  1.0794710000e+00 -1.2958580000e+00
-ENERGY -1.526566137596e+02
-FORCES -3.7708000000e-03 -2.4805000000e-03 -3.0607000000e-03 -1.4088000000e-03 -6.1880000000e-04 -7.1866000000e-03  3.5726000000e-03  5.4280000000e-03  2.3120000000e-04  6.3483000000e-03 -4.7322000000e-03  1.2349700000e-02  2.6222000000e-03 -3.0314000000e-03  3.4868000000e-03 -7.3635000000e-03  5.4349000000e-03 -5.8204000000e-03
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2107000000e-02 -5.6689800000e-01 -7.7060200000e-01 -6.6748200000e-01  6.6615000000e-01 -1.6414700000e-01 -2.8809560000e+00 -1.3359300000e+00  1.8335870000e+00 -2.3449800000e+00 -1.9681100000e+00  1.3547230000e+00 -2.2499330000e+00 -7.2145100000e-01  2.2083640000e+00
-ENERGY -1.526565785951e+02
-FORCES -2.4651000000e-03  1.3688000000e-03 -5.2841000000e-03  8.6000000000e-06  1.9554000000e-03  3.6224000000e-03  3.1591000000e-03 -2.9641000000e-03  1.2867000000e-03  6.8172000000e-03 -6.8200000000e-05 -3.2900000000e-04 -3.3768000000e-03  1.4993000000e-03  1.4485000000e-03 -4.1430000000e-03 -1.7913000000e-03 -7.4440000000e-04
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9309500000e-01  6.7244100000e-01  5.5635500000e-01 -5.3162900000e-01  4.8888700000e-01 -6.2816600000e-01  1.5559840000e+00  1.6562220000e+00  1.6944070000e+00  2.1193620000e+00  1.7457890000e+00  9.2576300000e-01  2.1293920000e+00  1.2975530000e+00  2.3717500000e+00
-ENERGY -1.526600975093e+02
-FORCES  2.2582000000e-03  6.7397000000e-03  7.0666000000e-03 -2.2415000000e-03 -3.6256000000e-03 -1.0165200000e-02  2.9520000000e-03 -4.0750000000e-04  2.4929000000e-03  4.4229000000e-03 -3.5276000000e-03  1.1968000000e-03 -5.8018000000e-03 -1.9104000000e-03  3.0603000000e-03 -1.5898000000e-03  2.7314000000e-03 -3.6514000000e-03
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5537800000e-01  6.6101100000e-01  2.2310800000e-01  5.1990500000e-01  4.0271000000e-01 -6.9552500000e-01 -1.3785320000e+00  2.1763680000e+00  6.3998800000e-01 -9.1785700000e-01  2.8765890000e+00  1.1022670000e+00 -2.1264700000e+00  1.9702370000e+00  1.2006400000e+00
-ENERGY -1.526583184856e+02
-FORCES -8.1513000000e-03  1.7032100000e-02  1.8747000000e-03  2.6720000000e-04 -8.6358000000e-03 -6.3050000000e-04 -6.2320000000e-04 -8.0270000000e-04  2.0461000000e-03  6.9036000000e-03 -4.6735000000e-03  1.6481000000e-03 -3.8263000000e-03 -2.6882000000e-03 -2.0605000000e-03  5.4300000000e-03 -2.3190000000e-04 -2.8778000000e-03
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5825900000e-01  3.8183600000e-01  1.8391200000e-01  6.0995100000e-01  7.3403200000e-01  7.3409000000e-02  9.9837400000e-01  2.9447680000e+00 -1.7804660000e+00  1.7122510000e+00  3.3672260000e+00 -2.2581060000e+00  3.7920400000e-01  3.6519430000e+00 -1.5994570000e+00
-ENERGY -1.526561129778e+02
-FORCES -1.4100000000e-05  6.1611000000e-03 -1.0307000000e-03  2.7718000000e-03 -1.6446000000e-03 -2.2530000000e-04 -2.8613000000e-03 -4.7878000000e-03  2.4326000000e-03  7.6560000000e-04  5.1575000000e-03 -3.1181000000e-03 -3.2415000000e-03 -1.5528000000e-03  2.1232000000e-03  2.5795000000e-03 -3.3334000000e-03 -1.8180000000e-04
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5667600000e-01  2.1848900000e-01 -6.6126400000e-01 -4.4581200000e-01  8.2807100000e-01  1.7827400000e-01  2.1093580000e+00 -1.6771300000e-01 -1.6750100000e+00  2.6265810000e+00 -7.8994700000e-01 -1.1636020000e+00  1.7836860000e+00 -6.7841500000e-01 -2.4161930000e+00
-ENERGY -1.526610286455e+02
-FORCES  1.0546800000e-02  1.3549000000e-03 -8.4317000000e-03 -9.5489000000e-03  5.4280000000e-04  6.1631000000e-03  2.9380000000e-03 -1.9629000000e-03 -2.2504000000e-03 -2.5227000000e-03 -5.5036000000e-03  3.7019000000e-03 -2.5773000000e-03  2.9208000000e-03 -3.6390000000e-03  1.1642000000e-03  2.6481000000e-03  4.4560000000e-03
-
-JOB 180
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1359600000e-01 -2.4928500000e-01  6.9107800000e-01  4.1603100000e-01  7.9845200000e-01  3.2500000000e-01 -1.7785280000e+00  1.4080770000e+00 -1.8497820000e+00 -1.2885630000e+00  6.5740700000e-01 -1.5141350000e+00 -2.2948730000e+00  1.0534470000e+00 -2.5735630000e+00
-ENERGY -1.526612186253e+02
-FORCES  3.2390000000e-04  4.2710000000e-03  5.4951000000e-03  2.4607000000e-03  1.2239000000e-03 -4.0665000000e-03 -1.8870000000e-03 -4.5169000000e-03 -8.7090000000e-04  4.3541000000e-03 -5.7514000000e-03  2.0907000000e-03 -7.5073000000e-03  4.7771000000e-03 -5.8608000000e-03  2.2557000000e-03 -3.6000000000e-06  3.2124000000e-03
-
-JOB 181
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1587800000e-01  3.9187800000e-01 -6.1915900000e-01 -4.3783200000e-01 -6.8861800000e-01 -5.0033900000e-01  1.6921830000e+00  8.6295100000e-01 -2.4117660000e+00  2.5173760000e+00  1.3252180000e+00 -2.5587290000e+00  1.0221640000e+00  1.5442460000e+00 -2.4678300000e+00
-ENERGY -1.526596338243e+02
-FORCES  4.8108000000e-03 -2.0608000000e-03 -7.0553000000e-03 -7.2847000000e-03  1.2867000000e-03  5.1718000000e-03  5.8360000000e-04  2.5751000000e-03  1.9837000000e-03  3.1081000000e-03  4.7129000000e-03 -3.3659000000e-03 -4.3783000000e-03 -1.6576000000e-03  1.0950000000e-04  3.1604000000e-03 -4.8563000000e-03  3.1562000000e-03
-
-JOB 182
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6871300000e-01  3.8792300000e-01  1.0528600000e-01 -9.4950000000e-03 -7.6834600000e-01  5.7077700000e-01  1.9653780000e+00  1.9639210000e+00  1.1263600000e-01  2.1879860000e+00  2.4619180000e+00  8.9919600000e-01  1.2984790000e+00  1.3417950000e+00  4.0321500000e-01
-ENERGY -1.526596565585e+02
-FORCES -2.7330000000e-03 -1.3660000000e-03 -2.5580000000e-04  5.3131000000e-03 -1.7959000000e-03  7.5810000000e-04  5.5300000000e-05  4.9623000000e-03 -2.2330000000e-03 -7.0151000000e-03 -7.5157000000e-03  9.2580000000e-04 -2.2769000000e-03 -2.9181000000e-03 -2.0122000000e-03  6.6565000000e-03  8.6334000000e-03  2.8170000000e-03
-
-JOB 183
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1473500000e-01  7.4069700000e-01  5.6700000000e-01 -2.2240100000e-01  3.9845300000e-01 -8.4143000000e-01 -8.7483300000e-01  1.2961600000e+00 -2.3433850000e+00 -9.0768000000e-01  7.1052500000e-01 -3.0998130000e+00 -1.5474190000e+00  1.9539900000e+00 -2.5197930000e+00
-ENERGY -1.526608156321e+02
-FORCES -3.2265000000e-03  8.4939000000e-03 -8.1770000000e-03 -9.2730000000e-04 -1.9051000000e-03 -1.3535000000e-03  4.1116000000e-03 -6.2217000000e-03  5.6380000000e-03 -2.9241000000e-03 -3.2740000000e-04  6.9120000000e-04 -2.7840000000e-04  3.0951000000e-03  4.1562000000e-03  3.2446000000e-03 -3.1348000000e-03 -9.5490000000e-04
-
-JOB 184
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3133200000e-01 -5.3763700000e-01  3.0386100000e-01  6.3437400000e-01 -6.2945600000e-01 -3.4291000000e-01  2.2576540000e+00 -1.2972220000e+00 -5.7638500000e-01  2.3066780000e+00 -1.6318570000e+00 -1.4718450000e+00  3.0174510000e+00 -7.2095200000e-01 -4.9360800000e-01
-ENERGY -1.526592584477e+02
-FORCES  1.2435800000e-02 -8.4885000000e-03 -1.9052000000e-03  3.5567000000e-03  3.2400000000e-05 -1.6935000000e-03 -1.0063000000e-02  2.9146000000e-03 -8.6760000000e-04 -1.1298000000e-03  6.9768000000e-03  1.4367000000e-03 -2.0851000000e-03  2.8151000000e-03  4.9002000000e-03 -2.7147000000e-03 -4.2504000000e-03 -1.8706000000e-03
-
-JOB 185
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9763200000e-01  7.0747600000e-01  5.0754100000e-01  5.9068800000e-01 -7.4343700000e-01  1.2092000000e-01  1.1983560000e+00  2.1670430000e+00  1.0356610000e+00  6.6329800000e-01  2.9269900000e+00  1.2646270000e+00  1.8561160000e+00  2.5101220000e+00  4.3077900000e-01
-ENERGY -1.526604051922e+02
-FORCES  7.9057000000e-03  1.1474300000e-02  7.4096000000e-03 -4.4560000000e-03 -8.3036000000e-03 -3.2875000000e-03 -5.0270000000e-04  3.2301000000e-03 -2.2660000000e-04 -3.0253000000e-03 -2.2609000000e-03 -5.7185000000e-03  3.3757000000e-03 -3.3998000000e-03 -1.9327000000e-03 -3.2974000000e-03 -7.4010000000e-04  3.7556000000e-03
-
-JOB 186
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1509200000e-01 -7.2562300000e-01  4.6626500000e-01 -8.5344800000e-01 -3.4239800000e-01 -2.6574700000e-01  1.6805940000e+00  5.9541000000e-01 -2.1421510000e+00  2.2838340000e+00 -1.3985300000e-01 -2.2504150000e+00  1.0814980000e+00  3.1447100000e-01 -1.4504940000e+00
-ENERGY -1.526600223093e+02
-FORCES -1.1695000000e-03 -2.4557000000e-03  4.0640000000e-04 -1.6727000000e-03  3.4928000000e-03 -4.4500000000e-03  5.4667000000e-03  1.1704000000e-03  1.1342000000e-03 -7.0806000000e-03 -3.7164000000e-03  1.0240600000e-02 -2.5394000000e-03  1.5340000000e-03  1.6937000000e-03  6.9955000000e-03 -2.5100000000e-05 -9.0249000000e-03
-
-JOB 187
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9045100000e-01 -5.2291900000e-01 -4.0751000000e-01 -5.9237700000e-01 -6.4455600000e-01  3.8712800000e-01 -7.4888400000e-01  2.3465200000e+00 -1.5107380000e+00 -6.0527700000e-01  2.1749600000e+00 -2.4414240000e+00 -5.2655200000e-01  1.5223460000e+00 -1.0776820000e+00
-ENERGY -1.526611003470e+02
-FORCES -2.7270000000e-04 -3.7420000000e-03  9.3390000000e-04 -4.2169000000e-03  2.4653000000e-03  1.3617000000e-03  3.8426000000e-03  2.2584000000e-03 -2.0983000000e-03  2.5530000000e-03 -8.8725000000e-03  3.4524000000e-03  9.4300000000e-05 -3.2690000000e-04  3.1115000000e-03 -2.0003000000e-03  8.2178000000e-03 -6.7611000000e-03
-
-JOB 188
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1154600000e-01  5.0701800000e-01  2.3626000000e-02 -1.8767200000e-01 -7.7793800000e-01  5.2518900000e-01  8.8280000000e-01 -2.3957860000e+00  1.4882870000e+00  3.1872100000e-01 -3.1492470000e+00  1.6624790000e+00  1.5575830000e+00 -2.7323870000e+00  8.9871000000e-01
-ENERGY -1.526596684025e+02
-FORCES -5.3790000000e-04 -4.6381000000e-03  4.9245000000e-03  2.5552000000e-03 -2.8616000000e-03  6.9150000000e-04 -4.3078000000e-03  7.1053000000e-03 -5.5962000000e-03  4.2048000000e-03 -4.5612000000e-03 -1.8699000000e-03  1.7152000000e-03  4.5137000000e-03 -1.5544000000e-03 -3.6295000000e-03  4.4180000000e-04  3.4045000000e-03
-
-JOB 189
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8466600000e-01 -8.7650600000e-01 -1.4320000000e-03  7.7751700000e-01 -7.8239000000e-02 -5.5279200000e-01 -2.1259810000e+00 -1.6390290000e+00 -8.5010000000e-02 -2.8175340000e+00 -1.6685560000e+00  5.7613700000e-01 -2.3596170000e+00 -8.9776600000e-01 -6.4373600000e-01
-ENERGY -1.526600365957e+02
-FORCES -5.8356000000e-03 -8.8653000000e-03  1.5077000000e-03  5.9945000000e-03  6.9380000000e-03 -3.4887000000e-03 -4.1649000000e-03 -1.4473000000e-03  1.2185000000e-03  2.4980000000e-04  7.4606000000e-03  1.6782000000e-03  2.2158000000e-03  8.7670000000e-04 -3.6594000000e-03  1.5404000000e-03 -4.9628000000e-03  2.7438000000e-03
-
-JOB 190
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5883200000e-01  8.0993100000e-01  2.2297300000e-01  4.7686600000e-01  2.0773800000e-01 -8.0353900000e-01  1.7021610000e+00  3.8387000000e-01 -1.9803910000e+00  2.2135600000e+00  1.0546810000e+00 -2.4328450000e+00  1.2349890000e+00 -7.3834000000e-02 -2.6793100000e+00
-ENERGY -1.526570910366e+02
-FORCES  1.1030800000e-02  5.8583000000e-03 -1.0584500000e-02  2.0473000000e-03 -1.7353000000e-03 -1.4959000000e-03 -7.9054000000e-03 -5.0863000000e-03  7.4820000000e-04 -3.0980000000e-03  1.3348000000e-03  4.3315000000e-03 -2.6803000000e-03 -4.3206000000e-03  7.9430000000e-04  6.0560000000e-04  3.9491000000e-03  6.2064000000e-03
-
-JOB 191
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4832100000e-01 -7.9181600000e-01 -2.9710000000e-01 -6.4260700000e-01 -3.1266700000e-01  6.3681100000e-01 -9.2513500000e-01 -3.4158620000e+00  7.9078500000e-01 -1.0326620000e+00 -2.9158520000e+00  1.5998960000e+00 -1.7237910000e+00 -3.9392590000e+00  7.2418200000e-01
-ENERGY -1.526556841012e+02
-FORCES -1.2112000000e-03 -6.4399000000e-03  2.0250000000e-04 -6.5820000000e-04  4.9549000000e-03  1.1904000000e-03  2.2565000000e-03  2.0114000000e-03 -7.6040000000e-04 -4.4952000000e-03 -2.4250000000e-03  3.1948000000e-03  5.9410000000e-04 -4.3780000000e-04 -4.4727000000e-03  3.5139000000e-03  2.3365000000e-03  6.4540000000e-04
-
-JOB 192
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9264600000e-01 -8.1401000000e-01  1.0449600000e-01  5.6263900000e-01 -1.5569100000e-01 -7.5857100000e-01  8.6052300000e-01 -3.5931090000e+00 -9.4956300000e-01  1.6794240000e+00 -4.0755210000e+00 -1.0631990000e+00  8.3435200000e-01 -2.9869560000e+00 -1.6899180000e+00
-ENERGY -1.526545800923e+02
-FORCES  6.4890000000e-04 -5.2312000000e-03 -1.4326000000e-03  1.3009000000e-03  4.7695000000e-03 -1.1270000000e-03 -2.2957000000e-03  7.0630000000e-04  1.9559000000e-03  4.2782000000e-03 -1.2581000000e-03 -3.5159000000e-03 -3.5975000000e-03  2.1024000000e-03  1.6340000000e-04 -3.3490000000e-04 -1.0888000000e-03  3.9561000000e-03
-
-JOB 193
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1427000000e-01  7.2822800000e-01  9.2669000000e-02  2.8197000000e-02 -4.0213800000e-01  8.6817200000e-01  1.1422070000e+00 -3.1996690000e+00 -2.3709900000e-01  1.8061910000e+00 -2.5979130000e+00 -5.7362400000e-01  1.6418370000e+00 -3.9390520000e+00  1.0918700000e-01
-ENERGY -1.526556952476e+02
-FORCES -3.2493000000e-03 -2.0900000000e-05  4.0423000000e-03  2.4022000000e-03 -3.0217000000e-03 -2.3500000000e-04  2.4500000000e-04  3.6974000000e-03 -3.1032000000e-03  4.8250000000e-03 -3.9000000000e-06 -1.7748000000e-03 -1.9423000000e-03 -3.9319000000e-03  2.2417000000e-03 -2.2805000000e-03  3.2810000000e-03 -1.1709000000e-03
-
-JOB 194
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0536300000e-01 -5.5601000000e-01  5.9303700000e-01 -5.1169100000e-01 -6.1386700000e-01 -5.2685100000e-01  2.4729150000e+00 -2.3836850000e+00 -8.0600500000e-01  2.7974320000e+00 -2.0055490000e+00 -1.6232770000e+00  2.4545780000e+00 -1.6492550000e+00 -1.9240300000e-01
-ENERGY -1.526548821294e+02
-FORCES -1.6426000000e-03 -6.3516000000e-03 -2.2680000000e-04  7.5940000000e-04  2.9242000000e-03 -2.5976000000e-03  1.4857000000e-03  3.6358000000e-03  2.2678000000e-03  2.2254000000e-03  5.8250000000e-03 -2.2570000000e-03 -1.0953000000e-03 -2.3273000000e-03  3.3028000000e-03 -1.7325000000e-03 -3.7062000000e-03 -4.8920000000e-04
-
-JOB 195
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5201800000e-01  5.5222700000e-01 -5.5367200000e-01 -5.7457200000e-01 -2.7335900000e-01  7.1510400000e-01  1.1445640000e+00  1.9088490000e+00  1.5118500000e+00  9.9407100000e-01  1.0665900000e+00  1.0826830000e+00  4.0356500000e-01  2.4514290000e+00  1.2421130000e+00
-ENERGY -1.526561213595e+02
-FORCES -1.9503000000e-03  7.0341000000e-03  2.5475000000e-03  2.3617000000e-03 -2.0861000000e-03  4.2068000000e-03  4.8777000000e-03  4.0538000000e-03 -2.8175000000e-03 -8.1389000000e-03 -1.1131300000e-02 -1.2425100000e-02  1.8523000000e-03  3.2420000000e-03  7.8211000000e-03  9.9740000000e-04 -1.1126000000e-03  6.6720000000e-04
-
-JOB 196
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6335300000e-01 -5.4019000000e-01 -7.7313800000e-01  7.9777500000e-01  5.1878300000e-01  1.0320700000e-01  2.5012170000e+00 -1.6800540000e+00 -2.0410830000e+00  3.2858270000e+00 -1.9282990000e+00 -2.5299520000e+00  2.8350000000e+00 -1.3007210000e+00 -1.2281090000e+00
-ENERGY -1.526561031474e+02
-FORCES  3.0600000000e-03 -3.3790000000e-04 -4.2818000000e-03 -1.2356000000e-03  3.2251000000e-03  5.1595000000e-03 -2.3288000000e-03 -2.5603000000e-03  1.3400000000e-04  6.1087000000e-03 -1.0097000000e-03  2.0810000000e-04 -3.0649000000e-03  1.1420000000e-03  2.4566000000e-03 -2.5395000000e-03 -4.5920000000e-04 -3.6764000000e-03
-
-JOB 197
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5948900000e-01 -4.3260900000e-01  3.9020200000e-01  2.2291500000e-01  6.9660400000e-01  6.1748100000e-01 -9.0041000000e-02 -2.1553680000e+00  2.7474850000e+00 -7.7625100000e-01 -2.2263010000e+00  3.4110490000e+00 -4.6330900000e-01 -2.5720160000e+00  1.9707560000e+00
-ENERGY -1.526545018098e+02
-FORCES -1.0272000000e-03  9.3640000000e-04  6.7903000000e-03  1.8457000000e-03  4.8170000000e-04 -3.0637000000e-03 -1.1403000000e-03 -1.5850000000e-03 -3.5820000000e-03 -2.7933000000e-03 -3.9509000000e-03 -1.4900000000e-04  2.8538000000e-03  1.0474000000e-03 -3.3621000000e-03  2.6120000000e-04  3.0704000000e-03  3.3666000000e-03
-
-JOB 198
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3946100000e-01 -1.7455700000e-01 -6.9054400000e-01 -5.0986900000e-01  7.4123300000e-01 -3.2686300000e-01 -1.9750000000e-02 -2.4881960000e+00 -2.5578630000e+00  7.9984700000e-01 -2.2525230000e+00 -2.9925470000e+00  2.4959300000e-01 -3.0253530000e+00 -1.8127800000e+00
-ENERGY -1.526545860025e+02
-FORCES -9.5060000000e-04  1.3027000000e-03 -6.0638000000e-03 -6.3460000000e-04  1.3670000000e-03  3.8612000000e-03  2.3128000000e-03 -2.3434000000e-03  1.7614000000e-03  3.1116000000e-03 -3.1067000000e-03  1.6163000000e-03 -3.4415000000e-03  3.8970000000e-04  2.7242000000e-03 -3.9770000000e-04  2.3908000000e-03 -3.8993000000e-03
-
-JOB 199
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6237700000e-01  9.4228800000e-01  4.4249000000e-02  5.6242500000e-01 -1.1087000000e-01 -7.6656300000e-01 -2.1246670000e+00  5.2381700000e-01 -2.4355830000e+00 -1.3010130000e+00  9.7639400000e-01 -2.6172430000e+00 -2.7981600000e+00  1.0916520000e+00 -2.8100200000e+00
-ENERGY -1.526515356157e+02
-FORCES -8.9630000000e-04  2.6526000000e-03 -3.4872000000e-03  1.8425000000e-03 -3.3252000000e-03 -4.6090000000e-04 -2.1032000000e-03  1.3990000000e-03  2.6343000000e-03  5.9160000000e-04  3.4074000000e-03 -2.1227000000e-03 -2.4595000000e-03 -1.6533000000e-03  1.1617000000e-03  3.0248000000e-03 -2.4806000000e-03  2.2747000000e-03
-
-JOB 200
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7779800000e-01  5.8165400000e-01 -5.9128600000e-01 -6.1602500000e-01 -1.7870000000e-01  7.1050100000e-01  1.4691390000e+00 -2.3545430000e+00 -6.7598500000e-01  9.7932500000e-01 -1.6013020000e+00 -3.4592200000e-01  1.9685470000e+00 -2.6656060000e+00  7.9040000000e-02
-ENERGY -1.526610296083e+02
-FORCES -3.3089000000e-03  1.1993000000e-03 -2.5112000000e-03  1.1333000000e-03 -2.0829000000e-03  4.2284000000e-03  3.5648000000e-03  1.7300000000e-04 -3.7905000000e-03 -3.5351000000e-03  8.8353000000e-03  3.5410000000e-03  4.5850000000e-03 -9.7350000000e-03  1.5610000000e-04 -2.4392000000e-03  1.6103000000e-03 -1.6238000000e-03
-
-JOB 201
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9369600000e-01  6.5482100000e-01  5.7658100000e-01 -7.8334200000e-01 -2.9092800000e-01  4.6687000000e-01  2.1884480000e+00 -1.6860690000e+00 -9.0911000000e-02  1.3379510000e+00 -1.2474990000e+00 -6.7626000000e-02  2.7542210000e+00 -1.1417510000e+00  4.5667600000e-01
-ENERGY -1.526589540787e+02
-FORCES  7.9710000000e-04  6.6120000000e-04  3.2321000000e-03 -9.1490000000e-04 -5.1802000000e-03 -2.4929000000e-03  5.1355000000e-03  1.3645000000e-03 -2.0096000000e-03 -1.0784100000e-02  9.9146000000e-03  8.2460000000e-04  8.0649000000e-03 -6.1307000000e-03  1.6735000000e-03 -2.2986000000e-03 -6.2940000000e-04 -1.2277000000e-03
-
-JOB 202
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1568300000e-01  5.2427800000e-01 -7.7126200000e-01 -6.5108700000e-01 -7.0164700000e-01  2.9640000000e-03  1.9555120000e+00 -2.1243880000e+00  8.0290200000e-01  2.8460270000e+00 -1.7787050000e+00  8.6386400000e-01  1.4306150000e+00 -1.3833560000e+00  5.0026900000e-01
-ENERGY -1.526610072853e+02
-FORCES -4.5462000000e-03  9.3960000000e-04 -3.8875000000e-03 -6.1800000000e-05 -2.4287000000e-03  3.7620000000e-03  5.3098000000e-03  3.1036000000e-03 -3.3260000000e-04 -1.1013000000e-03  8.3934000000e-03 -2.0074000000e-03 -2.6704000000e-03 -1.0691000000e-03 -4.2330000000e-04  3.0698000000e-03 -8.9388000000e-03  2.8888000000e-03
-
-JOB 203
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4812900000e-01  2.8578700000e-01  5.2427200000e-01  5.7100300000e-01 -4.5054600000e-01  6.2225100000e-01  1.7238110000e+00 -1.2153010000e+00  1.9433340000e+00  2.2514860000e+00 -1.9493590000e+00  1.6287700000e+00  2.3569450000e+00 -6.1771300000e-01  2.3411550000e+00
-ENERGY -1.526620841911e+02
-FORCES  4.4010000000e-03 -4.5607000000e-03  9.4957000000e-03  2.4256000000e-03 -5.5840000000e-04 -1.2474000000e-03 -5.9085000000e-03  4.1996000000e-03 -7.8205000000e-03  4.0895000000e-03  2.1130000000e-04 -1.5000000000e-04 -2.1895000000e-03  4.3223000000e-03  1.6600000000e-03 -2.8181000000e-03 -3.6141000000e-03 -1.9378000000e-03
-
-JOB 204
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5719400000e-01  7.8904900000e-01  5.1857800000e-01 -2.0516700000e-01  3.2571900000e-01 -8.7638200000e-01 -7.1181000000e-01  1.3839620000e+00 -2.0996440000e+00 -5.6003400000e-01  7.5567500000e-01 -2.8056550000e+00  7.2916000000e-02  1.9320480000e+00 -2.0933230000e+00
-ENERGY -1.526540862580e+02
-FORCES -8.6684000000e-03  1.4657100000e-02 -1.5750500000e-02  7.1540000000e-04 -1.5190000000e-03 -1.7343000000e-03  6.5826000000e-03 -6.4308000000e-03  1.2753000000e-03  4.6992000000e-03 -3.0750000000e-03  5.3934000000e-03  6.9110000000e-04  1.6399000000e-03  8.2206000000e-03 -4.0199000000e-03 -5.2722000000e-03  2.5954000000e-03
-
-JOB 205
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1632300000e-01  2.8512700000e-01 -4.1055100000e-01  2.6338400000e-01 -3.1441500000e-01  8.6487200000e-01 -4.5058800000e-01  2.8970730000e+00 -2.2195870000e+00 -5.4524300000e-01  3.4111460000e+00 -3.0214600000e+00  2.9046800000e-01  2.3164970000e+00 -2.3927910000e+00
-ENERGY -1.526522134819e+02
-FORCES  4.1089000000e-03  4.7110000000e-04  2.7002000000e-03 -3.1904000000e-03 -9.8560000000e-04  3.7190000000e-04 -1.2452000000e-03  1.1497000000e-03 -3.6673000000e-03  2.0076000000e-03 -8.1540000000e-04 -4.1956000000e-03  2.4680000000e-04 -2.1013000000e-03  3.5606000000e-03 -1.9277000000e-03  2.2814000000e-03  1.2303000000e-03
-
-JOB 206
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4048000000e-01 -4.4233100000e-01  7.2564000000e-01 -5.4213200000e-01 -6.7909400000e-01 -4.0144100000e-01 -1.0658200000e+00 -2.0215040000e+00 -1.6764070000e+00 -1.7633400000e+00 -2.6397380000e+00 -1.4585000000e+00 -1.1501750000e+00 -1.8874960000e+00 -2.6204190000e+00
-ENERGY -1.526607770308e+02
-FORCES -2.6715000000e-03 -9.3562000000e-03 -4.9224000000e-03 -1.8116000000e-03  8.3020000000e-04 -2.1360000000e-03  2.3095000000e-03  6.5211000000e-03  7.1149000000e-03 -6.9660000000e-04  8.2490000000e-04 -3.5178000000e-03  3.5680000000e-03  3.3520000000e-03 -9.4630000000e-04 -6.9780000000e-04 -2.1720000000e-03  4.4075000000e-03
-
-JOB 207
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5048600000e-01  1.0111700000e-01 -5.0837000000e-02  3.3367900000e-01  8.9512100000e-01  6.0399000000e-02 -2.3829680000e+00  1.2635560000e+00  2.2012700000e-01 -3.1538110000e+00  8.9401900000e-01  6.5079500000e-01 -1.9095330000e+00  1.7132800000e+00  9.2001200000e-01
-ENERGY -1.526570685761e+02
-FORCES -1.3780200000e-02  8.9292000000e-03 -1.6758000000e-03  6.7676000000e-03 -4.2502000000e-03  2.0948000000e-03 -1.0825000000e-03 -1.8398000000e-03  1.7841000000e-03  3.6519000000e-03 -5.9860000000e-04  4.4613000000e-03  5.1045000000e-03  1.1010000000e-03 -1.9379000000e-03 -6.6130000000e-04 -3.3415000000e-03 -4.7264000000e-03
-
-JOB 208
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8406400000e-01  2.6534100000e-01  7.8199000000e-01 -2.5999100000e-01  8.2377900000e-01 -4.1234000000e-01 -1.4856040000e+00 -2.2412330000e+00  7.3230800000e-01 -9.8837100000e-01 -1.4677270000e+00  4.6645200000e-01 -2.2113330000e+00 -1.8935420000e+00  1.2506340000e+00
-ENERGY -1.526607553711e+02
-FORCES -1.2365000000e-03  1.4472000000e-03  6.9030000000e-04 -3.8195000000e-03 -1.1642000000e-03 -3.9565000000e-03  2.1271000000e-03 -3.2229000000e-03  3.1580000000e-03  4.3053000000e-03  1.1413500000e-02 -3.3399000000e-03 -3.7855000000e-03 -8.1543000000e-03  4.8533000000e-03  2.4091000000e-03 -3.1930000000e-04 -1.4053000000e-03
-
-JOB 209
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9188000000e-01 -5.3065000000e-01  7.4124800000e-01 -6.6839600000e-01  6.7970300000e-01 -8.6506000000e-02  2.4316490000e+00  1.3523310000e+00 -2.1532400000e-01  2.0392590000e+00  1.9766880000e+00 -8.2560300000e-01  1.7538370000e+00  6.8999900000e-01 -8.0713000000e-02
-ENERGY -1.526597199435e+02
-FORCES -7.5470000000e-04  3.4968000000e-03  2.4055000000e-03  1.1516000000e-03  3.2192000000e-03 -3.6264000000e-03  3.1734000000e-03 -3.5214000000e-03  4.0100000000e-04 -1.2652000000e-02 -5.7192000000e-03 -1.0949000000e-03  7.3760000000e-04 -9.8670000000e-04  1.8786000000e-03  8.3442000000e-03  3.5112000000e-03  3.6200000000e-05
-
-JOB 210
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5041600000e-01  7.2727900000e-01  2.9041200000e-01  6.1440900000e-01  3.9592800000e-01 -6.1804100000e-01 -1.0004990000e+00 -2.3130680000e+00 -1.2316280000e+00 -8.5547300000e-01 -1.5441730000e+00 -6.8026600000e-01 -7.5200800000e-01 -2.0281170000e+00 -2.1109960000e+00
-ENERGY -1.526597438976e+02
-FORCES  9.9920000000e-04  1.6907000000e-03 -2.7230000000e-03  2.7793000000e-03 -3.9107000000e-03 -2.3439000000e-03 -3.9453000000e-03 -1.4404000000e-03  2.7262000000e-03  5.1454000000e-03  1.1769100000e-02  3.8483000000e-03 -4.7467000000e-03 -7.4195000000e-03 -3.6580000000e-03 -2.3190000000e-04 -6.8920000000e-04  2.1504000000e-03
-
-JOB 211
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6459100000e-01  8.7608100000e-01 -1.2565000000e-01  9.4389100000e-01  1.4112700000e-01  7.3379000000e-02 -1.3607600000e+00 -8.6296300000e-01  2.3878880000e+00 -7.1113500000e-01 -3.5184900000e-01  1.9052060000e+00 -1.9234030000e+00 -1.2374110000e+00  1.7100580000e+00
-ENERGY -1.526589698501e+02
-FORCES  1.9405000000e-03  2.4385000000e-03 -2.2270000000e-03  1.6597000000e-03 -5.0933000000e-03  2.5902000000e-03 -5.4916000000e-03 -2.1370000000e-04  1.0805000000e-03  4.4761000000e-03  9.5700000000e-04 -1.2586500000e-02 -2.1556000000e-03  1.1788000000e-03  7.8070000000e-03 -4.2900000000e-04  7.3270000000e-04  3.3358000000e-03
-
-JOB 212
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0092300000e-01  1.9095400000e-01 -9.1618700000e-01  6.0678000000e-01 -7.3940700000e-01 -3.6448000000e-02 -1.7395870000e+00 -1.9557790000e+00 -5.2509000000e-01 -2.6452750000e+00 -1.6501520000e+00 -4.7456600000e-01 -1.2327940000e+00 -1.2800190000e+00 -7.4823000000e-02
-ENERGY -1.526577131971e+02
-FORCES -8.2780000000e-04 -5.6604000000e-03 -7.7784000000e-03 -8.8080000000e-04 -1.9363000000e-03  6.0609000000e-03 -7.6784000000e-03  2.2307000000e-03  1.0890000000e-03  6.9319000000e-03  1.3085500000e-02  6.7967000000e-03  3.6347000000e-03  7.3120000000e-04 -4.1700000000e-04 -1.1795000000e-03 -8.4507000000e-03 -5.7512000000e-03
-
-JOB 213
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0502400000e-01  4.6958700000e-01  5.7416600000e-01  7.0503100000e-01 -2.8911300000e-01  5.7929000000e-01 -3.2633450000e+00  7.6794000000e-02 -1.1587360000e+00 -2.7128470000e+00  3.5687300000e-01 -1.8899950000e+00 -3.8228450000e+00 -6.0669000000e-01 -1.5275760000e+00
-ENERGY -1.526559719845e+02
-FORCES -1.1268000000e-03  4.6750000000e-04  5.0797000000e-03  4.5099000000e-03 -1.1463000000e-03 -1.9050000000e-03 -2.9336000000e-03  9.8790000000e-04 -2.2452000000e-03  1.2665000000e-03 -2.6808000000e-03 -4.9199000000e-03 -3.6469000000e-03 -4.3410000000e-04  2.6971000000e-03  1.9310000000e-03  2.8058000000e-03  1.2933000000e-03
-
-JOB 214
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0528200000e-01 -8.1285500000e-01 -1.3719000000e-02 -7.9365200000e-01 -2.1898200000e-01  4.8825700000e-01  1.5111520000e+00 -2.1532800000e+00 -7.0563600000e-01  2.1722290000e+00 -1.8720500000e+00 -1.3381860000e+00  1.0689450000e+00 -2.8878360000e+00 -1.1312080000e+00
-ENERGY -1.526603684391e+02
-FORCES  6.5187000000e-03 -1.1603400000e-02 -2.0102000000e-03 -5.6841000000e-03  7.9070000000e-03  3.6662000000e-03  2.7480000000e-03 -1.1650000000e-03 -2.0124000000e-03 -2.7981000000e-03  4.1679000000e-03 -4.0329000000e-03 -3.3240000000e-03 -2.7424000000e-03  2.6504000000e-03  2.5395000000e-03  3.4359000000e-03  1.7390000000e-03
-
-JOB 215
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2911400000e-01  1.8361000000e-01 -6.9766400000e-01 -6.8955800000e-01 -5.0880700000e-01 -4.2644700000e-01 -1.9906730000e+00  1.7763020000e+00  1.1625350000e+00 -1.7979440000e+00  9.0923500000e-01  8.0576700000e-01 -2.6712860000e+00  1.6205330000e+00  1.8173130000e+00
-ENERGY -1.526542102993e+02
-FORCES  2.3320000000e-03  1.4757000000e-03 -5.1058000000e-03 -2.4946000000e-03 -2.0048000000e-03  3.0103000000e-03  2.6160000000e-04  5.1203000000e-03  4.8989000000e-03  3.6691000000e-03 -5.0655000000e-03 -1.6940000000e-04 -6.9780000000e-03  8.6490000000e-04  2.4780000000e-04  3.2099000000e-03 -3.9060000000e-04 -2.8818000000e-03
-
-JOB 216
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0882300000e-01 -5.8113000000e-01  4.5590900000e-01  4.8888100000e-01  8.1432900000e-01 -1.1872300000e-01 -1.0869700000e+00  3.3004880000e+00  1.2691700000e-01 -1.3752920000e+00  3.1258400000e+00 -7.6896300000e-01 -3.5336000000e-01  3.9074810000e+00  2.8902000000e-02
-ENERGY -1.526546578970e+02
-FORCES  3.5195000000e-03  2.5104000000e-03  2.6031000000e-03 -2.3454000000e-03  2.4707000000e-03 -1.7719000000e-03 -1.7100000000e-04 -4.8634000000e-03 -1.2655000000e-03 -8.8970000000e-04  2.5896000000e-03 -3.9607000000e-03  2.2230000000e-03  1.1381000000e-03  3.9087000000e-03 -2.3364000000e-03 -3.8454000000e-03  4.8640000000e-04
-
-JOB 217
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5672200000e-01  4.0000800000e-01 -1.4917100000e-01 -1.0800000000e-01 -6.1387500000e-01 -7.2644700000e-01 -1.9107050000e+00 -3.6516500000e-01  1.9333850000e+00 -2.3964460000e+00 -1.1348010000e+00  1.6368230000e+00 -1.3418730000e+00 -1.4181500000e-01  1.1966510000e+00
-ENERGY -1.526590467813e+02
-FORCES  5.6200000000e-05 -2.9520000000e-04  2.9381000000e-03 -3.6004000000e-03 -3.0851000000e-03 -1.2952000000e-03  3.0090000000e-04  2.9733000000e-03  3.9723000000e-03  8.7058000000e-03  6.7280000000e-04 -9.1068000000e-03  2.1606000000e-03  2.1630000000e-03 -3.6510000000e-04 -7.6232000000e-03 -2.4289000000e-03  3.8567000000e-03
-
-JOB 218
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3359300000e-01 -4.1926500000e-01  7.4326700000e-01  6.8710700000e-01  8.7234000000e-02 -6.6068600000e-01  1.5885520000e+00 -1.1368980000e+00  1.9313980000e+00  2.2752050000e+00 -1.4844560000e+00  1.3622390000e+00  2.0530520000e+00 -8.3921100000e-01  2.7136090000e+00
-ENERGY -1.526589719202e+02
-FORCES  9.1489000000e-03 -4.3025000000e-03  9.5024000000e-03 -4.0231000000e-03  1.4307000000e-03 -8.1302000000e-03 -1.1638000000e-03 -1.0983000000e-03  2.1122000000e-03  7.0870000000e-04  3.2310000000e-03 -1.2699000000e-03 -3.9625000000e-03  3.3229000000e-03  2.0923000000e-03 -7.0810000000e-04 -2.5839000000e-03 -4.3068000000e-03
-
-JOB 219
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9742800000e-01  7.6770200000e-01 -2.8183400000e-01 -3.9945500000e-01 -3.3509500000e-01 -8.0273200000e-01  1.5661500000e+00  1.8922880000e+00 -1.2079360000e+00  1.4211960000e+00  2.6921560000e+00 -1.7133390000e+00  2.3073540000e+00  1.4669550000e+00 -1.6391450000e+00
-ENERGY -1.526602941648e+02
-FORCES  6.0349000000e-03  9.8269000000e-03 -8.5080000000e-03 -3.5429000000e-03 -6.1464000000e-03  4.4776000000e-03  1.1210000000e-03  4.3550000000e-04  1.9550000000e-03 -1.3754000000e-03 -2.7490000000e-03 -2.3940000000e-04  1.8332000000e-03 -4.4659000000e-03  1.2653000000e-03 -4.0707000000e-03  3.0988000000e-03  1.0496000000e-03
-
-JOB 220
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5881900000e-01 -4.2158200000e-01 -3.0504000000e-02  5.8414300000e-01 -6.7068800000e-01  3.5381600000e-01  1.9329760000e+00 -2.0048890000e+00  4.9112300000e-01  1.9132880000e+00 -2.5600580000e+00  1.2706290000e+00  2.5624350000e+00 -1.3156600000e+00  7.0320000000e-01
-ENERGY -1.526596748525e+02
-FORCES  4.6879000000e-03 -1.1444200000e-02  1.0921000000e-03  2.5463000000e-03  9.6800000000e-04  5.6800000000e-04 -3.5686000000e-03  9.8109000000e-03  7.5510000000e-04  3.4896000000e-03 -1.3650000000e-04  2.0572000000e-03 -4.9170000000e-04  3.6049000000e-03 -3.9944000000e-03 -6.6634000000e-03 -2.8031000000e-03 -4.7810000000e-04
-
-JOB 221
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1690200000e-01 -3.0228300000e-01  6.6655000000e-01  6.9892600000e-01 -6.5399000000e-01  5.6450000000e-03  1.3604650000e+00  1.3654990000e+00  1.8484040000e+00  9.4498000000e-01  1.1537010000e+00  1.0124930000e+00  1.8839180000e+00  2.1457050000e+00  1.6653490000e+00
-ENERGY -1.526601930514e+02
-FORCES  2.0884000000e-03 -2.5024000000e-03  7.9652000000e-03  3.9300000000e-03  1.8230000000e-03 -3.6468000000e-03 -3.0058000000e-03  5.2799000000e-03  6.6010000000e-04 -7.6691000000e-03 -4.5556000000e-03 -1.1189700000e-02  7.0890000000e-03  3.2157000000e-03  8.1324000000e-03 -2.4325000000e-03 -3.2605000000e-03 -1.9210000000e-03
-
-JOB 222
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2660400000e-01 -7.9301300000e-01 -5.2089700000e-01 -4.4315600000e-01 -1.8366400000e-01  8.2831900000e-01  1.9079170000e+00  2.0495000000e-02  2.6382140000e+00  1.4364340000e+00  8.0384400000e-01  2.9215870000e+00  2.4306290000e+00 -2.3330500000e-01  3.3988640000e+00
-ENERGY -1.526535440918e+02
-FORCES  1.0520000000e-04 -5.3114000000e-03  3.0051000000e-03  1.5440000000e-04  3.1471000000e-03  1.6279000000e-03 -2.1860000000e-04  2.0667000000e-03 -3.7623000000e-03  1.2251000000e-03  3.4555000000e-03  3.5449000000e-03  1.0078000000e-03 -4.1902000000e-03 -6.9990000000e-04 -2.2739000000e-03  8.3230000000e-04 -3.7157000000e-03
-
-JOB 223
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7124400000e-01  4.0728700000e-01 -6.5117600000e-01 -6.0027400000e-01 -3.8815300000e-01  6.3658500000e-01  7.7215200000e-01  2.8496010000e+00 -2.1572810000e+00 -1.8095600000e-01  2.7657310000e+00 -2.1292830000e+00  9.5856900000e-01  3.6394960000e+00 -1.6497910000e+00
-ENERGY -1.526527005880e+02
-FORCES -4.0619000000e-03  4.9600000000e-05 -9.1710000000e-04  8.7080000000e-04 -1.4075000000e-03  2.9176000000e-03  2.6770000000e-03  1.9652000000e-03 -2.6443000000e-03 -1.9733000000e-03  3.5671000000e-03  2.9948000000e-03  3.4274000000e-03 -1.2056000000e-03  2.9250000000e-04 -9.4000000000e-04 -2.9688000000e-03 -2.6435000000e-03
-
-JOB 224
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6274900000e-01 -8.3067200000e-01 -3.0761900000e-01 -6.5282900000e-01  2.3557600000e-01 -6.5920400000e-01 -1.8814810000e+00  1.1138270000e+00 -1.4077330000e+00 -1.3465300000e+00  1.8624150000e+00 -1.6716950000e+00 -2.0228540000e+00  6.2262000000e-01 -2.2170300000e+00
-ENERGY -1.526563785910e+02
-FORCES -1.5391900000e-02  6.9547000000e-03 -9.6798000000e-03 -3.4689000000e-03  3.1895000000e-03 -1.6151000000e-03  1.0381700000e-02 -4.2318000000e-03  1.1441000000e-03  6.3695000000e-03 -2.7250000000e-04  2.4948000000e-03 -1.9202000000e-03 -6.6323000000e-03  1.5493000000e-03  4.0298000000e-03  9.9240000000e-04  6.1066000000e-03
-
-JOB 225
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4782900000e-01  2.8244000000e-01 -5.2650900000e-01  3.8908600000e-01 -3.4726900000e-01  8.0265100000e-01  1.6361820000e+00  1.9495950000e+00  1.6401420000e+00  1.2235130000e+00  2.5460190000e+00  1.0154700000e+00  9.4639200000e-01  1.7500940000e+00  2.2730880000e+00
-ENERGY -1.526558822844e+02
-FORCES  9.2214000000e-03  1.9233000000e-03  3.4298000000e-03 -4.0665000000e-03 -7.4190000000e-04 -2.0850000000e-04 -3.7755000000e-03 -1.1400000000e-05 -1.7468000000e-03 -8.1942000000e-03  1.2020000000e-03 -1.7439000000e-03  3.1935000000e-03 -1.8415000000e-03  2.0851000000e-03  3.6213000000e-03 -5.3050000000e-04 -1.8158000000e-03
-
-JOB 226
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8179000000e-01  2.0302300000e-01  5.1363100000e-01 -3.3763000000e-01 -3.8180300000e-01 -8.1022500000e-01  1.9191320000e+00  9.0443100000e-01  2.2116710000e+00  1.0184790000e+00  1.2161400000e+00  2.3005150000e+00  1.9736410000e+00  1.5570900000e-01  2.8055360000e+00
-ENERGY -1.526510087619e+02
-FORCES -3.9225000000e-03 -6.8220000000e-04 -1.7280000000e-03  4.4266000000e-03 -5.8200000000e-05 -6.1310000000e-04  2.0886000000e-03  1.5432000000e-03  3.8505000000e-03 -5.0687000000e-03 -3.5185000000e-03 -9.6670000000e-04  2.5171000000e-03 -4.5980000000e-04  1.2649000000e-03 -4.1200000000e-05  3.1756000000e-03 -1.8076000000e-03
-
-JOB 227
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7583000000e-01 -6.8356200000e-01  3.4263000000e-01 -5.9302400000e-01  7.0396400000e-01 -2.6265600000e-01  4.5236300000e-01 -8.2135100000e-01  3.6212310000e+00 -2.7163800000e-01 -1.9922200000e-01  3.6920120000e+00  3.2599900000e-01 -1.4212800000e+00  4.3563160000e+00
-ENERGY -1.526536290025e+02
-FORCES -3.9406000000e-03 -9.7390000000e-04  8.0930000000e-04  1.3641000000e-03  3.3919000000e-03 -2.3816000000e-03  2.3770000000e-03 -2.7335000000e-03  1.5556000000e-03 -2.6821000000e-03  1.0218000000e-03  3.7237000000e-03  2.4011000000e-03 -3.1506000000e-03 -2.7530000000e-04  4.8050000000e-04  2.4443000000e-03 -3.4316000000e-03
-
-JOB 228
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8464200000e-01 -4.6844100000e-01  5.9580900000e-01 -2.8537500000e-01 -6.6401700000e-01 -6.2759500000e-01  1.8113080000e+00  1.4987270000e+00 -5.8655400000e-01  9.5936000000e-01  1.1687410000e+00 -3.0102800000e-01  1.8599580000e+00  2.3831740000e+00 -2.2376100000e-01
-ENERGY -1.526523879349e+02
-FORCES  2.1276000000e-02  1.4283600000e-02 -9.8015000000e-03 -3.1837000000e-03  3.6764000000e-03 -3.9042000000e-03  2.1683000000e-03  1.6256000000e-03  4.6442000000e-03 -2.3104700000e-02 -1.7845800000e-02  3.6123000000e-03  7.1036000000e-03  2.8383000000e-03  4.3981000000e-03 -4.2594000000e-03 -4.5781000000e-03  1.0512000000e-03
-
-JOB 229
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4198500000e-01 -8.0273900000e-01 -4.6182800000e-01 -4.9446400000e-01  6.8983600000e-01 -4.4256600000e-01 -1.9305270000e+00 -8.0971400000e-01  2.0302760000e+00 -1.1534680000e+00 -6.0200700000e-01  1.5113630000e+00 -1.5842970000e+00 -1.1508840000e+00  2.8548720000e+00
-ENERGY -1.526613249402e+02
-FORCES -2.7400000000e-03  1.4964000000e-03 -5.9124000000e-03  1.9000000000e-04  4.1413000000e-03  4.9277000000e-03  2.5548000000e-03 -4.0576000000e-03  2.0609000000e-03  8.2583000000e-03  2.9728000000e-03 -2.9069000000e-03 -8.0087000000e-03 -5.6694000000e-03  5.1467000000e-03 -2.5440000000e-04  1.1165000000e-03 -3.3160000000e-03
-
-JOB 230
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0486900000e-01  7.2185600000e-01  3.7451800000e-01 -4.8951800000e-01  3.9770800000e-01 -7.2002200000e-01  1.2745000000e+00  1.5835900000e+00  2.0322890000e+00  5.5819000000e-01  2.0514810000e+00  2.4614860000e+00  1.8529720000e+00  2.2744660000e+00  1.7093470000e+00
-ENERGY -1.526590528707e+02
-FORCES  4.0357000000e-03  5.9334000000e-03  4.9433000000e-03 -4.5981000000e-03 -3.4073000000e-03 -9.1712000000e-03  2.1546000000e-03 -4.8000000000e-06  3.4697000000e-03 -1.2046000000e-03  3.2320000000e-03  4.2593000000e-03  4.0094000000e-03 -1.6318000000e-03 -3.1034000000e-03 -4.3970000000e-03 -4.1215000000e-03 -3.9760000000e-04
-
-JOB 231
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7626500000e-01 -2.8128200000e-01 -6.1626100000e-01 -4.6194700000e-01  7.0385900000e-01 -4.5543300000e-01  2.0803320000e+00 -1.9289790000e+00  1.3283000000e+00  1.3536720000e+00 -1.7547290000e+00  1.9264920000e+00  1.6623420000e+00 -2.2567170000e+00  5.3199300000e-01
-ENERGY -1.526555829016e+02
-FORCES  2.1921000000e-03  2.8735000000e-03 -4.1294000000e-03 -4.2266000000e-03 -7.4860000000e-04  1.7488000000e-03  2.4347000000e-03 -2.9486000000e-03  2.0076000000e-03 -7.5088000000e-03  1.1888000000e-03  2.6430000000e-04  4.2864000000e-03 -2.5101000000e-03 -9.5010000000e-04  2.8222000000e-03  2.1451000000e-03  1.0588000000e-03
-
-JOB 232
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3856000000e-01 -5.9296700000e-01  1.3838500000e-01 -3.1311300000e-01  2.0311500000e-01  8.8144000000e-01 -1.3261320000e+00  9.3009300000e-01  2.2459980000e+00 -1.1253520000e+00  4.8494600000e-01  3.0692620000e+00 -1.0024650000e+00  1.8222730000e+00  2.3704420000e+00
-ENERGY -1.526600127055e+02
-FORCES -5.5863000000e-03  2.6319000000e-03  1.0539200000e-02 -2.9013000000e-03  2.1758000000e-03  1.5893000000e-03  7.9374000000e-03 -3.7170000000e-03 -7.7364000000e-03  8.4650000000e-04  2.6225000000e-03  1.3888000000e-03  6.0930000000e-04  2.0345000000e-03 -5.4523000000e-03 -9.0560000000e-04 -5.7477000000e-03 -3.2860000000e-04
-
-JOB 233
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3925000000e-01  9.9664000000e-02  1.5527100000e-01  2.1837500000e-01 -8.4826200000e-01  3.8600000000e-01  1.7706330000e+00  1.9111150000e+00  1.3007000000e-01  1.5678980000e+00  2.4601050000e+00 -6.2738600000e-01  1.0649460000e+00  1.2648370000e+00  1.5381100000e-01
-ENERGY -1.526587591816e+02
-FORCES  6.8800000000e-03  6.1349000000e-03  2.5394000000e-03  5.1619000000e-03 -1.2595000000e-03 -7.6370000000e-04 -2.9100000000e-03  4.4719000000e-03 -1.7201000000e-03 -1.3638300000e-02 -1.3681200000e-02 -2.9190000000e-03 -8.1150000000e-04 -1.7971000000e-03  2.0047000000e-03  5.3180000000e-03  6.1310000000e-03  8.5870000000e-04
-
-JOB 234
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3157500000e-01  2.1232400000e-01 -5.7961100000e-01  3.9574700000e-01 -7.5112000000e-02  8.6831700000e-01  6.7055200000e-01 -1.3290760000e+00  2.2637190000e+00  6.9353800000e-01 -7.6877100000e-01  3.0394520000e+00  1.4170080000e+00 -1.9185460000e+00  2.3712420000e+00
-ENERGY -1.526564133065e+02
-FORCES  5.4859000000e-03 -6.7383000000e-03  9.7936000000e-03 -1.6482000000e-03 -1.5697000000e-03  2.7461000000e-03 -1.9213000000e-03  8.1181000000e-03 -4.2857000000e-03  1.4323000000e-03 -2.1322000000e-03 -1.7170000000e-03  3.1220000000e-04 -1.0379000000e-03 -6.7719000000e-03 -3.6609000000e-03  3.3599000000e-03  2.3490000000e-04
-
-JOB 235
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2825100000e-01  7.9359100000e-01  4.8409400000e-01  5.0109400000e-01  6.2446000000e-02 -8.1316500000e-01  1.4846520000e+00 -2.1455770000e+00  8.2395400000e-01  1.2969280000e+00 -2.5434690000e+00 -2.6148000000e-02  8.5715000000e-01 -1.4263650000e+00  8.9611500000e-01
-ENERGY -1.526582035577e+02
-FORCES  6.8861000000e-03 -5.9400000000e-04 -1.8805000000e-03 -2.6200000000e-04 -5.3054000000e-03 -1.8346000000e-03 -2.8430000000e-03 -7.6930000000e-04  4.0046000000e-03 -1.1047600000e-02  1.0179200000e-02 -6.2666000000e-03  1.6866000000e-03  1.2855000000e-03  1.4320000000e-03  5.5800000000e-03 -4.7960000000e-03  4.5452000000e-03
-
-JOB 236
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5700000000e-01 -8.3694800000e-01 -8.3074000000e-02 -2.0877500000e-01  2.4981600000e-01 -9.0013100000e-01 -1.6550600000e+00  1.8127700000e+00 -1.6533900000e+00 -9.8994100000e-01  2.4751360000e+00 -1.8407950000e+00 -2.0162910000e+00  1.5862240000e+00 -2.5103740000e+00
-ENERGY -1.526570638653e+02
-FORCES -3.0424000000e-03  1.0034000000e-03 -5.0106000000e-03 -2.4102000000e-03  3.4325000000e-03 -7.1930000000e-04  6.6715000000e-03 -4.4431000000e-03  3.6683000000e-03 -1.5743000000e-03  4.8988000000e-03 -2.7613000000e-03 -2.4866000000e-03 -4.9385000000e-03  4.7810000000e-04  2.8420000000e-03  4.6900000000e-05  4.3449000000e-03
-
-JOB 237
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7921300000e-01 -5.5004500000e-01 -8.0681000000e-02  4.8751000000e-02  5.9629200000e-01 -7.4718900000e-01  4.4152400000e-01 -1.7291720000e+00  3.1628910000e+00  1.1190350000e+00 -1.0540680000e+00  3.1248620000e+00  8.5877300000e-01 -2.4627310000e+00  3.6145830000e+00
-ENERGY -1.526536192951e+02
-FORCES  2.8111000000e-03 -8.6140000000e-04 -3.5561000000e-03 -2.4723000000e-03  3.2881000000e-03  1.1780000000e-04 -2.6410000000e-04 -2.5230000000e-03  3.3251000000e-03  3.7380000000e-03  7.2010000000e-04  2.2615000000e-03 -2.0316000000e-03 -3.6683000000e-03  9.9900000000e-05 -1.7811000000e-03  3.0445000000e-03 -2.2482000000e-03
-
-JOB 238
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4779500000e-01  2.8200000000e-01 -3.4344100000e-01 -2.1988000000e-01 -7.7787700000e-01 -5.1263300000e-01 -1.9301630000e+00  1.9940730000e+00  6.8527000000e-02 -2.1319880000e+00  2.4007150000e+00 -7.7417200000e-01 -1.2561050000e+00  1.3451610000e+00 -1.3344400000e-01
-ENERGY -1.526603812454e+02
-FORCES  1.1504000000e-03 -1.3496000000e-03 -1.2008000000e-03 -5.4525000000e-03 -1.2789000000e-03  7.3860000000e-04  1.4351000000e-03  5.0034000000e-03  1.8633000000e-03  8.3659000000e-03 -8.4827000000e-03 -1.5387000000e-03  1.9440000000e-03 -2.4740000000e-03  2.0726000000e-03 -7.4430000000e-03  8.5818000000e-03 -1.9351000000e-03
-
-JOB 239
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2086600000e-01  4.5591900000e-01  5.6823900000e-01 -5.1389000000e-02  5.4488800000e-01 -7.8529500000e-01  1.3666160000e+00  1.0532630000e+00  1.9627570000e+00  4.8964900000e-01  1.3126930000e+00  2.2453450000e+00  1.5632870000e+00  2.7108700000e-01  2.4782690000e+00
-ENERGY -1.526583087806e+02
-FORCES  1.2928400000e-02  7.9085000000e-03  1.1596000000e-02 -1.0070000000e-02 -2.9429000000e-03 -4.2464000000e-03  1.2351000000e-03  1.1740000000e-04  4.0318000000e-03 -6.8738000000e-03 -6.4400000000e-03 -2.5486000000e-03  4.8452000000e-03 -2.9381000000e-03 -5.3191000000e-03 -2.0649000000e-03  4.2951000000e-03 -3.5137000000e-03
-
-JOB 240
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0335100000e-01  3.0870100000e-01  6.7594700000e-01 -5.4876300000e-01 -1.1941700000e-01 -7.7513200000e-01 -1.6018340000e+00  8.6842200000e-01  2.4940570000e+00 -2.4821780000e+00  1.1555230000e+00  2.7365440000e+00 -1.0355540000e+00  1.6018090000e+00  2.7342690000e+00
-ENERGY -1.526607124579e+02
-FORCES -6.8176000000e-03  7.2580000000e-04  3.3655000000e-03  6.6641000000e-03 -7.1350000000e-04 -7.3758000000e-03  1.6138000000e-03  4.8730000000e-04  2.5602000000e-03 -2.6040000000e-03  3.9997000000e-03  4.3322000000e-03  4.3078000000e-03 -7.5810000000e-04 -5.5630000000e-04 -3.1641000000e-03 -3.7412000000e-03 -2.3258000000e-03
-
-JOB 241
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2641100000e-01 -3.3593000000e-01 -8.6724900000e-01  1.1568600000e-01 -7.4868200000e-01  5.8508400000e-01  1.9002140000e+00  1.7416090000e+00  6.6895300000e-01  1.4032460000e+00  9.2596700000e-01  7.3205600000e-01  1.7521670000e+00  2.1783450000e+00  1.5077480000e+00
-ENERGY -1.526553678852e+02
-FORCES  3.6278000000e-03  2.2399000000e-03 -4.0078000000e-03 -1.2211000000e-03  8.6980000000e-04  5.3866000000e-03  3.3603000000e-03  7.4504000000e-03 -1.5952000000e-03 -1.2981600000e-02 -8.4161000000e-03 -2.8849000000e-03  7.9511000000e-03  7.5380000000e-04  5.5567000000e-03 -7.3640000000e-04 -2.8978000000e-03 -2.4555000000e-03
-
-JOB 242
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5025100000e-01 -2.6127000000e-02 -7.0194200000e-01  3.2879500000e-01 -6.1596000000e-01  6.5476600000e-01 -1.6062990000e+00 -1.7120950000e+00 -1.4344310000e+00 -1.0809870000e+00 -1.2173670000e+00 -8.0552500000e-01 -1.9805100000e+00 -1.0460170000e+00 -2.0110930000e+00
-ENERGY -1.526588186034e+02
-FORCES  3.0474000000e-03 -2.4398000000e-03 -2.0581000000e-03 -5.4234000000e-03 -1.2328000000e-03  3.4181000000e-03 -3.8680000000e-03  1.5907000000e-03 -5.8801000000e-03  5.7906000000e-03  1.3207700000e-02  7.7254000000e-03 -1.2308000000e-03 -9.1090000000e-03 -4.0626000000e-03  1.6842000000e-03 -2.0168000000e-03  8.5730000000e-04
-
-JOB 243
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0722700000e-01 -3.0117400000e-01  4.9646000000e-02  4.5693000000e-02  8.1907400000e-01 -4.9321500000e-01  1.4617110000e+00  2.7096830000e+00  1.2211650000e+00  5.4403900000e-01  2.9696610000e+00  1.3019170000e+00  1.4982020000e+00  1.8348020000e+00  1.6077970000e+00
-ENERGY -1.526567522916e+02
-FORCES  4.7320000000e-03  2.6954000000e-03 -4.0077000000e-03 -3.7730000000e-03  1.2831000000e-03  1.4827000000e-03 -1.8152000000e-03 -3.9097000000e-03  2.5296000000e-03 -4.9532000000e-03 -3.2617000000e-03  3.8891000000e-03  3.9491000000e-03 -3.8590000000e-04 -1.5517000000e-03  1.8602000000e-03  3.5788000000e-03 -2.3420000000e-03
-
-JOB 244
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2444200000e-01 -2.2789400000e-01  4.2964200000e-01 -2.5706400000e-01  5.6657600000e-01 -7.2742100000e-01 -7.8009100000e-01  1.6245910000e+00 -1.9553230000e+00 -7.9134300000e-01  1.0427740000e+00 -2.7153190000e+00 -7.6800000000e-04  2.1663530000e+00 -2.0793500000e+00
-ENERGY -1.526592081324e+02
-FORCES -8.7586000000e-03  1.2280400000e-02 -1.2364600000e-02  1.7524000000e-03  6.2890000000e-04 -1.9674000000e-03  5.9732000000e-03 -6.9744000000e-03  4.8773000000e-03  3.8447000000e-03 -3.1119000000e-03  2.0212000000e-03  1.1556000000e-03  2.3557000000e-03  6.0509000000e-03 -3.9672000000e-03 -5.1788000000e-03  1.3826000000e-03
-
-JOB 245
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0095700000e-01 -3.0231600000e-01  8.8569400000e-01 -8.3092000000e-02 -7.8232500000e-01 -5.4524800000e-01 -5.6896400000e-01 -2.3394500000e+00 -1.4981630000e+00  2.5860100000e-01 -2.8027310000e+00 -1.6275430000e+00 -1.2282010000e+00 -2.9114570000e+00 -1.8911580000e+00
-ENERGY -1.526600814922e+02
-FORCES -4.6067000000e-03 -9.5498000000e-03 -3.2010000000e-03  7.8400000000e-04  9.4280000000e-04 -2.3786000000e-03  5.9005000000e-03  5.4076000000e-03  3.9366000000e-03 -2.0847000000e-03 -7.8430000000e-04 -1.1576000000e-03 -4.3837000000e-03  3.1039000000e-03  1.3872000000e-03  4.3905000000e-03  8.7970000000e-04  1.4134000000e-03
-
-JOB 246
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3257300000e-01  3.8443300000e-01  6.0687300000e-01 -5.3285400000e-01 -5.0595400000e-01 -6.1344000000e-01  1.4766230000e+00  2.4760790000e+00 -1.8777200000e-01  1.0795170000e+00  1.6447720000e+00  7.1976000000e-02  2.0272130000e+00  2.7217030000e+00  5.5570000000e-01
-ENERGY -1.526594303970e+02
-FORCES -4.2767000000e-03 -7.8870000000e-04 -3.8240000000e-03  5.3237000000e-03 -1.9290000000e-04 -3.1805000000e-03  1.1151000000e-03  1.5764000000e-03  4.1336000000e-03 -1.4604000000e-03 -8.0234000000e-03  9.1240000000e-04  2.0776000000e-03  9.2587000000e-03  3.9049000000e-03 -2.7792000000e-03 -1.8302000000e-03 -1.9465000000e-03
-
-JOB 247
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8848900000e-01  4.4150000000e-01  4.9728500000e-01  4.0096500000e-01 -8.1955900000e-01 -2.8945300000e-01 -1.6385550000e+00 -1.0532320000e+00  1.8834410000e+00 -1.2660520000e+00 -6.8423900000e-01  1.0826180000e+00 -2.4398330000e+00 -1.4908650000e+00  1.5959280000e+00
-ENERGY -1.526604180642e+02
-FORCES  2.6072000000e-03 -2.2252000000e-03  6.1080000000e-03 -2.8331000000e-03 -2.8266000000e-03 -3.3774000000e-03 -3.5422000000e-03  3.8910000000e-03  2.4860000000e-03  6.3306000000e-03  6.6907000000e-03 -1.0359600000e-02 -6.2577000000e-03 -7.1431000000e-03  6.4425000000e-03  3.6952000000e-03  1.6133000000e-03 -1.2995000000e-03
-
-JOB 248
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2648700000e-01  8.5608000000e-01  4.0909700000e-01  7.2772000000e-01 -3.9162400000e-01  4.8299700000e-01  1.6132020000e+00  8.4514800000e-01 -2.2668020000e+00  1.1567010000e+00  1.2502410000e+00 -3.0041890000e+00  9.2506100000e-01  3.9578200000e-01 -1.7761260000e+00
-ENERGY -1.526612523116e+02
-FORCES  3.5207000000e-03  3.3526000000e-03  4.9621000000e-03  3.3840000000e-04 -4.3594000000e-03 -1.8637000000e-03 -3.6556000000e-03  2.1739000000e-03 -2.9420000000e-03 -7.5024000000e-03 -2.8541000000e-03  4.2543000000e-03  6.3730000000e-04 -1.1836000000e-03  3.2636000000e-03  6.6616000000e-03  2.8706000000e-03 -7.6743000000e-03
-
-JOB 249
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3818300000e-01  2.9656300000e-01 -3.5458700000e-01 -1.5545700000e-01 -8.4344200000e-01 -4.2505400000e-01 -8.3477800000e-01 -2.5739450000e+00 -1.2413990000e+00 -1.6298310000e+00 -3.1068460000e+00 -1.2295280000e+00 -6.8784600000e-01 -2.3827270000e+00 -2.1677240000e+00
-ENERGY -1.526603295815e+02
-FORCES -1.5160000000e-04 -7.2180000000e-03 -2.9117000000e-03 -3.0784000000e-03 -1.6665000000e-03  1.8770000000e-04  4.4102000000e-03  9.3793000000e-03  1.1960000000e-03 -5.0047000000e-03 -2.3499000000e-03 -2.0613000000e-03  3.9178000000e-03  1.6246000000e-03 -1.6901000000e-03 -9.3400000000e-05  2.3060000000e-04  5.2793000000e-03
-
-JOB 250
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2242000000e-02  1.1819000000e-01  9.4712400000e-01  7.6303400000e-01 -5.6665600000e-01 -1.1362800000e-01  2.0571460000e+00 -1.6447260000e+00 -4.6130000000e-02  2.8427790000e+00 -1.2064340000e+00 -3.7310200000e-01  1.8790400000e+00 -2.3300690000e+00 -6.9019200000e-01
-ENERGY -1.526591257107e+02
-FORCES  1.5810800000e-02 -1.2890200000e-02  2.8307000000e-03  5.8990000000e-04 -2.0750000000e-04 -2.2701000000e-03 -6.8002000000e-03  5.8838000000e-03 -2.8537000000e-03 -4.8251000000e-03  3.9349000000e-03 -1.8905000000e-03 -5.6167000000e-03 -2.1637000000e-03  1.1518000000e-03  8.4130000000e-04  5.4427000000e-03  3.0318000000e-03
-
-JOB 251
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9825000000e-02 -5.4674400000e-01 -7.8467600000e-01  3.9122400000e-01 -5.6482000000e-01  6.6644900000e-01 -1.7143590000e+00  2.0454830000e+00 -4.6564900000e-01 -2.6443810000e+00  1.8200610000e+00 -4.4384700000e-01 -1.2666630000e+00  1.2435550000e+00 -1.9599800000e-01
-ENERGY -1.526599479956e+02
-FORCES -1.0822000000e-03  1.1432000000e-03 -1.7760000000e-04 -7.5930000000e-04  2.4230000000e-03  5.0400000000e-03 -1.3639000000e-03  1.4984000000e-03 -4.5894000000e-03  6.5506000000e-03 -9.5519000000e-03  4.2145000000e-03  3.5473000000e-03 -9.3440000000e-04  3.5900000000e-05 -6.8924000000e-03  5.4218000000e-03 -4.5235000000e-03
-
-JOB 252
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4460000000e-02  8.6457800000e-01 -4.0200000000e-01  8.4112800000e-01 -4.2537700000e-01 -1.6670200000e-01 -1.8020130000e+00  7.5543300000e-01  2.0415870000e+00 -2.2570190000e+00 -4.1565000000e-02  2.3136080000e+00 -1.3042560000e+00  4.9497600000e-01  1.2665820000e+00
-ENERGY -1.526599035868e+02
-FORCES  3.4104000000e-03  4.7660000000e-04  1.8197000000e-03 -1.3325000000e-03 -4.6510000000e-03  3.4641000000e-03 -3.3608000000e-03  2.8258000000e-03 -9.6950000000e-04  5.9849000000e-03 -7.0681000000e-03 -6.4945000000e-03  1.4711000000e-03  2.1642000000e-03 -5.8800000000e-04 -6.1731000000e-03  6.2524000000e-03  2.7682000000e-03
-
-JOB 253
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5383600000e-01 -2.6615600000e-01  6.4644500000e-01  6.4430500000e-01 -7.0787000000e-01  4.8730000000e-03  2.2193690000e+00 -1.9045690000e+00 -2.7649100000e-01  2.5985090000e+00 -2.5073900000e+00  3.6311100000e-01  2.7925990000e+00 -1.1383450000e+00 -2.5328100000e-01
-ENERGY -1.526609382844e+02
-FORCES  3.6202000000e-03 -8.5088000000e-03  8.7550000000e-04  2.4164000000e-03  4.3330000000e-04 -1.8039000000e-03 -4.9594000000e-03  9.3308000000e-03  1.1662000000e-03  5.3805000000e-03 -6.2020000000e-04  1.8490000000e-03 -1.4379000000e-03  3.2864000000e-03 -3.0500000000e-03 -5.0197000000e-03 -3.9215000000e-03  9.6330000000e-04
-
-JOB 254
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6799700000e-01  4.3774700000e-01  5.2762600000e-01  5.0105400000e-01 -5.1873900000e-01  6.2935400000e-01 -2.6618790000e+00 -2.3684840000e+00  6.9110800000e-01 -1.7608200000e+00 -2.6751500000e+00  5.8971200000e-01 -2.7798560000e+00 -2.2787230000e+00  1.6367600000e+00
-ENERGY -1.526538470396e+02
-FORCES -2.0503000000e-03  5.8220000000e-04  4.3753000000e-03  3.9214000000e-03 -1.2605000000e-03 -1.6128000000e-03 -2.5087000000e-03  1.0484000000e-03 -2.6215000000e-03  3.6000000000e-03 -1.3356000000e-03  1.9713000000e-03 -3.9133000000e-03  5.4270000000e-04  1.8036000000e-03  9.5080000000e-04  4.2290000000e-04 -3.9159000000e-03
-
-JOB 255
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2291500000e-01  4.1512900000e-01 -2.5828400000e-01 -2.4344800000e-01 -5.3902600000e-01 -7.5260600000e-01 -1.7473870000e+00  2.1646700000e+00 -4.1155600000e-01 -1.8894480000e+00  2.5299110000e+00 -1.2848540000e+00 -1.0995410000e+00  1.4724670000e+00 -5.4339900000e-01
-ENERGY -1.526574576472e+02
-FORCES  2.9038000000e-03 -2.5319000000e-03 -6.2890000000e-04 -6.8343000000e-03 -5.6830000000e-04 -1.3130000000e-04  1.4680000000e-04  6.2908000000e-03  3.1182000000e-03  6.2698000000e-03 -8.0549000000e-03  1.1289000000e-03  2.1093000000e-03 -3.1627000000e-03  2.7003000000e-03 -4.5954000000e-03  8.0269000000e-03 -6.1873000000e-03
-
-JOB 256
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9342200000e-01 -1.9589200000e-01 -6.3009800000e-01 -5.5422900000e-01  6.4130700000e-01 -4.4473400000e-01  1.1445020000e+00 -6.8783300000e-01 -2.3832770000e+00  2.0095690000e+00 -1.0955960000e+00 -2.4235340000e+00  1.1891340000e+00  3.2307000000e-02 -3.0122740000e+00
-ENERGY -1.526576333995e+02
-FORCES  4.1648000000e-03 -2.6265000000e-03 -1.5389800000e-02  4.5500000000e-05  2.1024000000e-03  8.4148000000e-03  1.2410000000e-03 -9.0270000000e-04  1.4841000000e-03 -3.3210000000e-04  1.7384000000e-03 -7.6100000000e-05 -4.7642000000e-03  3.2260000000e-03  1.5627000000e-03 -3.5520000000e-04 -3.5377000000e-03  4.0043000000e-03
-
-JOB 257
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7019000000e-01 -1.8500100000e-01 -8.1297500000e-01  2.5878100000e-01 -7.0559100000e-01  5.9279500000e-01 -1.9578410000e+00  1.9897310000e+00  2.4649200000e-01 -1.2974780000e+00  2.1820210000e+00  9.1220700000e-01 -1.6256290000e+00  1.2131310000e+00 -2.0379600000e-01
-ENERGY -1.526590513293e+02
-FORCES  5.7210000000e-04 -1.4771000000e-03  7.4550000000e-04 -3.1352000000e-03  7.5090000000e-04  4.0632000000e-03 -1.7120000000e-04  3.6336000000e-03 -3.1632000000e-03  1.0901400000e-02 -8.6348000000e-03  1.1623000000e-03 -3.0962000000e-03  1.8185000000e-03 -1.1250000000e-04 -5.0709000000e-03  3.9089000000e-03 -2.6953000000e-03
-
-JOB 258
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9652700000e-01  6.2913500000e-01  1.8780600000e-01 -4.2159200000e-01 -6.7197900000e-01 -5.3566500000e-01 -1.8410180000e+00  1.7633850000e+00  7.7456700000e-01 -2.4599160000e+00  1.9836960000e+00  7.8391000000e-02 -1.4848740000e+00  2.6065300000e+00  1.0547450000e+00
-ENERGY -1.526592268057e+02
-FORCES -1.2961800000e-02  1.0072300000e-02  5.3137000000e-03  6.4597000000e-03 -6.4545000000e-03 -5.2179000000e-03 -5.0720000000e-04  3.2343000000e-03  1.3873000000e-03  5.2969000000e-03 -7.0200000000e-04 -2.2671000000e-03  4.5036000000e-03 -1.8951000000e-03  3.1402000000e-03 -2.7912000000e-03 -4.2550000000e-03 -2.3562000000e-03
-
-JOB 259
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9577600000e-01 -6.6297500000e-01  6.2387000000e-01 -8.9239300000e-01  2.0847500000e-01  2.7641300000e-01  8.9826200000e-01 -3.1084160000e+00 -5.8089300000e-01  1.5011600000e+00 -2.6585540000e+00 -1.1728140000e+00  4.6240000000e-01 -3.7590750000e+00 -1.1312560000e+00
-ENERGY -1.526568009545e+02
-FORCES -2.4679000000e-03 -4.7315000000e-03  3.4477000000e-03 -7.2020000000e-04  5.7344000000e-03 -1.3101000000e-03  3.1995000000e-03 -6.2140000000e-04 -1.0361000000e-03 -1.6570000000e-04  1.9270000000e-04 -6.1291000000e-03 -1.7763000000e-03 -2.9201000000e-03  2.9597000000e-03  1.9306000000e-03  2.3460000000e-03  2.0679000000e-03
-
-JOB 260
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7997100000e-01  4.5499500000e-01  7.5155400000e-01 -5.2416400000e-01  6.6649600000e-01 -4.4414700000e-01  1.7557550000e+00 -4.2752500000e-01 -1.9379510000e+00  1.1310830000e+00 -1.0427150000e+00 -2.3220840000e+00  1.4050300000e+00 -2.4190000000e-01 -1.0668780000e+00
-ENERGY -1.526573357113e+02
-FORCES  2.1835000000e-03  2.6533000000e-03 -6.7425000000e-03  2.9870000000e-04 -2.3650000000e-03 -6.4809000000e-03  3.1065000000e-03 -3.7179000000e-03  2.8219000000e-03 -1.4743200000e-02 -6.9700000000e-04  1.3959300000e-02  1.5217000000e-03  1.9968000000e-03 -6.1600000000e-04  7.6328000000e-03  2.1297000000e-03 -2.9419000000e-03
-
-JOB 261
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8718000000e-01  8.3610800000e-01  4.2675400000e-01  6.9068700000e-01 -5.8667900000e-01  3.0820600000e-01 -3.9590840000e+00  8.1818400000e-01 -8.0644900000e-01 -3.6650370000e+00  1.0509090000e+00  7.4237000000e-02 -4.6271710000e+00  1.4705800000e-01 -6.6687500000e-01
-ENERGY -1.526534692786e+02
-FORCES  4.0456000000e-03  1.0868000000e-03  2.3183000000e-03 -1.2038000000e-03 -3.5336000000e-03 -1.3711000000e-03 -3.0086000000e-03  2.3943000000e-03 -1.2680000000e-03 -2.3220000000e-04 -2.6914000000e-03  4.2387000000e-03 -1.9373000000e-03 -7.8500000000e-05 -3.2941000000e-03  2.3363000000e-03  2.8223000000e-03 -6.2370000000e-04
-
-JOB 262
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4628900000e-01 -4.8484200000e-01 -5.1329400000e-01 -6.0184700000e-01  3.6078100000e-01 -6.5103700000e-01  2.9856200000e-01  1.3819520000e+00  2.3048820000e+00  3.6818400000e-01  8.9374500000e-01  1.4844930000e+00  1.0819020000e+00  1.9317120000e+00  2.3242110000e+00
-ENERGY -1.526603458467e+02
-FORCES -7.6840000000e-04  3.1808000000e-03  1.4679000000e-03 -3.4150000000e-03  3.2683000000e-03  1.9059000000e-03  3.9888000000e-03 -2.8431000000e-03  1.9528000000e-03  5.5700000000e-05 -6.4442000000e-03 -1.2053400000e-02  2.1050000000e-03  5.2045000000e-03  8.2583000000e-03 -1.9660000000e-03 -2.3664000000e-03 -1.5315000000e-03
-
-JOB 263
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1896800000e-01  6.1984700000e-01  7.1963100000e-01  3.8002000000e-01  4.3956900000e-01 -7.6065500000e-01 -1.8922190000e+00 -1.8889320000e+00 -2.7457900000e-01 -1.1393130000e+00 -1.3246750000e+00 -4.5058800000e-01 -2.5323930000e+00 -1.3119220000e+00  1.4191700000e-01
-ENERGY -1.526576020361e+02
-FORCES -4.4922000000e-03 -2.3340000000e-03  2.6067000000e-03  1.0700000000e-04 -1.5114000000e-03 -4.6374000000e-03 -2.9562000000e-03 -2.8565000000e-03  3.9381000000e-03  9.2914000000e-03  1.3480500000e-02  3.8198000000e-03 -2.4810000000e-03 -4.7272000000e-03 -5.2074000000e-03  5.3090000000e-04 -2.0514000000e-03 -5.1980000000e-04
-
-JOB 264
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5800000000e-01 -6.0776200000e-01  4.8527600000e-01  5.6774600000e-01  3.5172100000e-01 -6.8570300000e-01 -2.9106070000e+00 -1.2122560000e+00  1.2372180000e+00 -2.1458030000e+00 -1.7629740000e+00  1.4045970000e+00 -2.7144900000e+00 -7.7454000000e-01  4.0886100000e-01
-ENERGY -1.526564782306e+02
-FORCES  6.1387000000e-03  1.7220000000e-04 -6.0190000000e-04 -3.1176000000e-03  1.8782000000e-03 -2.2291000000e-03 -2.4936000000e-03 -1.6113000000e-03  3.1046000000e-03  6.1679000000e-03  1.5333000000e-03 -3.9506000000e-03 -2.7689000000e-03  7.7090000000e-04  5.2000000000e-04 -3.9263000000e-03 -2.7432000000e-03  3.1569000000e-03
-
-JOB 265
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4878000000e-02  5.1520900000e-01  8.0410300000e-01 -8.0595300000e-01 -5.0592300000e-01  1.0350500000e-01  5.7526900000e-01  1.9787790000e+00  1.7669660000e+00  1.1209070000e+00  2.4495650000e+00  1.1369890000e+00  2.1138500000e-01  2.6635300000e+00  2.3281580000e+00
-ENERGY -1.526606393667e+02
-FORCES -2.5440000000e-04  7.3685000000e-03  9.4462000000e-03 -3.6700000000e-05 -6.4114000000e-03 -7.0290000000e-03  2.0943000000e-03  2.3667000000e-03  9.2500000000e-04 -1.1183000000e-03  4.3830000000e-04 -4.5029000000e-03 -3.1481000000e-03 -1.7328000000e-03  4.3019000000e-03  2.4632000000e-03 -2.0293000000e-03 -3.1412000000e-03
-
-JOB 266
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7480400000e-01  5.4480600000e-01 -1.3819100000e-01 -1.7905000000e-02 -2.1029000000e-01  9.3364300000e-01 -1.1840530000e+00 -4.6443800000e-01  2.4621930000e+00 -1.7682370000e+00 -1.1079530000e+00  2.0611340000e+00 -7.2788300000e-01 -9.4994500000e-01  3.1495230000e+00
-ENERGY -1.526590273081e+02
-FORCES -7.2450000000e-03  1.6113000000e-03  1.3269000000e-02  1.5535000000e-03 -2.1627000000e-03 -1.3510000000e-03  4.9092000000e-03 -1.8391000000e-03 -6.6249000000e-03 -1.7078000000e-03 -3.5502000000e-03 -1.9666000000e-03  3.7247000000e-03  3.7822000000e-03  1.8867000000e-03 -1.2346000000e-03  2.1584000000e-03 -5.2133000000e-03
-
-JOB 267
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7333600000e-01 -8.0425600000e-01  2.1297300000e-01 -5.6876500000e-01  4.5612400000e-01 -6.2023300000e-01  1.3549970000e+00  1.8756560000e+00  1.3489270000e+00  6.7958300000e-01  1.2941240000e+00  9.9983100000e-01  1.8125190000e+00  1.3468810000e+00  2.0026110000e+00
-ENERGY -1.526583843904e+02
-FORCES  9.6190000000e-04  2.6498000000e-03  1.8856000000e-03  2.3612000000e-03  4.2075000000e-03 -1.8497000000e-03  2.9013000000e-03 -2.0723000000e-03  5.1140000000e-03 -6.2147000000e-03 -1.4276700000e-02 -5.9194000000e-03  1.3544000000e-03  8.2653000000e-03  2.1175000000e-03 -1.3641000000e-03  1.2263000000e-03 -1.3481000000e-03
-
-JOB 268
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3307000000e-01  4.2098200000e-01 -2.1213200000e-01 -1.3808700000e-01 -6.2917900000e-01 -7.0802300000e-01 -7.5640500000e-01 -2.4108560000e+00 -1.5779800000e+00 -1.2094250000e+00 -1.8635820000e+00 -2.2194580000e+00 -1.3763200000e+00 -2.4945100000e+00 -8.5345300000e-01
-ENERGY -1.526594785325e+02
-FORCES  2.8084000000e-03 -6.1633000000e-03 -5.3427000000e-03 -3.0263000000e-03 -1.7000000000e-03  1.5000000000e-06 -1.8228000000e-03  8.8753000000e-03  3.9031000000e-03 -6.3581000000e-03 -2.6786000000e-03  6.5000000000e-04  4.4274000000e-03 -2.8530000000e-04  5.1667000000e-03  3.9715000000e-03  1.9519000000e-03 -4.3786000000e-03
-
-JOB 269
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5900400000e-01 -4.2191800000e-01 -1.8165000000e-02 -6.2418600000e-01 -7.2512900000e-01 -2.8478000000e-02  2.5771590000e+00 -1.3610700000e+00  6.4552000000e-02  3.1036660000e+00 -1.7340270000e+00  7.7160600000e-01  3.2129810000e+00 -1.1337340000e+00 -6.1388800000e-01
-ENERGY -1.526617709991e+02
-FORCES  6.9215000000e-03 -7.0574000000e-03  5.4920000000e-04 -8.2460000000e-03  5.0500000000e-03 -1.8658000000e-03  1.7599000000e-03  2.1015000000e-03  2.6130000000e-04  3.3869000000e-03 -1.0500000000e-05  1.5297000000e-03 -1.1131000000e-03  1.2499000000e-03 -4.2943000000e-03 -2.7093000000e-03 -1.3335000000e-03  3.8200000000e-03
-
-JOB 270
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6553100000e-01  6.2963900000e-01  7.0170200000e-01  4.7936300000e-01  3.4739500000e-01 -7.5217000000e-01  1.3491750000e+00  4.5069700000e-01 -2.1781170000e+00  9.8055000000e-01  7.4658500000e-01 -3.0104620000e+00  1.8244650000e+00  1.2107320000e+00 -1.8424420000e+00
-ENERGY -1.526548049083e+02
-FORCES  8.4436000000e-03  2.1225000000e-03 -1.6077600000e-02  1.7947000000e-03 -5.4880000000e-04 -4.8791000000e-03 -4.1840000000e-04  4.3278000000e-03  9.8297000000e-03 -5.6609000000e-03 -1.2400000000e-04  4.3090000000e-03  2.9813000000e-03 -8.7570000000e-04  4.8241000000e-03 -7.1403000000e-03 -4.9018000000e-03  1.9939000000e-03
-
-JOB 271
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3424700000e-01 -8.8589000000e-02  8.9256000000e-01  6.3014200000e-01  5.7329800000e-01 -4.3644300000e-01  9.7328400000e-01 -1.0057000000e-01  2.4333830000e+00  9.8755300000e-01  5.4962300000e-01  3.1357200000e+00  1.7260290000e+00  1.2152900000e-01  1.8854070000e+00
-ENERGY -1.526520232174e+02
-FORCES  3.6887000000e-03  8.4260000000e-04  1.6876600000e-02  9.1348000000e-03  4.0610000000e-04 -7.3695000000e-03 -5.2400000000e-05 -2.1418000000e-03  4.2037000000e-03 -4.0227000000e-03  4.7653000000e-03 -6.5833000000e-03  1.9888000000e-03 -3.5329000000e-03 -3.9288000000e-03 -1.0737200000e-02 -3.3940000000e-04 -3.1987000000e-03
-
-JOB 272
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7016700000e-01 -4.9481300000e-01  2.7970400000e-01 -7.8400000000e-03  7.8557100000e-01  5.4685300000e-01  1.1105310000e+00 -3.0254510000e+00 -2.0733640000e+00  7.0642300000e-01 -2.3897790000e+00 -2.6639990000e+00  4.1522600000e-01 -3.6566810000e+00 -1.8880740000e+00
-ENERGY -1.526535474994e+02
-FORCES -2.6038000000e-03  8.1430000000e-04  4.0698000000e-03  2.7077000000e-03  2.1811000000e-03 -1.5389000000e-03  4.9300000000e-05 -3.3095000000e-03 -2.3508000000e-03 -4.1753000000e-03  1.5280000000e-03 -1.2479000000e-03  1.4517000000e-03 -3.6954000000e-03  1.5824000000e-03  2.5704000000e-03  2.4817000000e-03 -5.1460000000e-04
-
-JOB 273
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0831700000e-01  2.4158700000e-01 -8.7338900000e-01 -7.2660100000e-01 -6.0221500000e-01 -1.6006000000e-01  2.0648240000e+00 -1.8952010000e+00  5.7323400000e-01  1.8405880000e+00 -2.3465520000e+00 -2.4054300000e-01  1.3209230000e+00 -1.3161980000e+00  7.3936200000e-01
-ENERGY -1.526583207652e+02
-FORCES  5.6890000000e-04 -2.3230000000e-04 -5.5173000000e-03 -2.4028000000e-03 -2.1579000000e-03  4.0242000000e-03  5.8508000000e-03  1.2681000000e-03  1.0955000000e-03 -9.3600000000e-03  7.3139000000e-03 -3.6961000000e-03  5.6580000000e-04  1.3192000000e-03  1.8696000000e-03  4.7774000000e-03 -7.5110000000e-03  2.2240000000e-03
-
-JOB 274
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5354900000e-01  3.8685400000e-01 -4.4580300000e-01 -2.0953200000e-01 -7.7915600000e-01 -5.1501800000e-01 -2.6410540000e+00 -1.2776770000e+00  1.9516830000e+00 -2.9955750000e+00 -8.9084300000e-01  1.1511160000e+00 -1.8156820000e+00 -1.6787050000e+00  1.6793420000e+00
-ENERGY -1.526543801620e+02
-FORCES  3.8646000000e-03 -1.4160000000e-04 -4.5006000000e-03 -3.4193000000e-03 -1.7606000000e-03  1.8158000000e-03 -3.4730000000e-04  2.7627000000e-03  3.5651000000e-03  3.7394000000e-03  2.3010000000e-03 -4.2748000000e-03  4.3010000000e-04 -2.7058000000e-03  2.8979000000e-03 -4.2674000000e-03 -4.5570000000e-04  4.9650000000e-04
-
-JOB 275
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7724200000e-01 -8.2974000000e-01 -1.8990000000e-03  6.1077400000e-01  6.2726700000e-01  3.8694000000e-01  1.5031350000e+00 -2.2950030000e+00 -2.1746500000e-01  1.7743160000e+00 -2.8208240000e+00  5.3500100000e-01  1.0502500000e+00 -2.9129110000e+00 -7.9132600000e-01
-ENERGY -1.526609931599e+02
-FORCES  1.0281400000e-02 -1.0189700000e-02 -2.3120000000e-04 -6.9334000000e-03  7.4575000000e-03  3.0030000000e-04 -1.4115000000e-03 -2.1504000000e-03 -5.1970000000e-04 -2.5420000000e-03 -7.0940000000e-04  5.7420000000e-04 -1.5547000000e-03  2.4068000000e-03 -4.2540000000e-03  2.1602000000e-03  3.1851000000e-03  4.1305000000e-03
-
-JOB 276
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2833400000e-01 -4.7749000000e-01  4.5804000000e-02  6.6456000000e-01 -6.8145800000e-01 -1.0103000000e-01 -2.0418180000e+00 -1.7622670000e+00  4.1397600000e-01 -2.6814160000e+00 -1.7157920000e+00  1.1246000000e+00 -1.5600010000e+00 -2.5730550000e+00  5.7740100000e-01
-ENERGY -1.526589598758e+02
-FORCES -1.0607200000e-02 -1.1053500000e-02  1.8096000000e-03  7.0844000000e-03  5.4755000000e-03 -1.9323000000e-03 -2.0968000000e-03  9.8130000000e-04  6.7310000000e-04  4.0403000000e-03  1.4003000000e-03  3.5084000000e-03  3.4652000000e-03 -1.3922000000e-03 -3.3912000000e-03 -1.8860000000e-03  4.5886000000e-03 -6.6760000000e-04
-
-JOB 277
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3065000000e-01 -2.1146000000e-01 -7.3534000000e-02 -1.2145100000e-01  7.5295300000e-01 -5.7839700000e-01 -1.2449840000e+00  2.2126300000e+00 -1.1500010000e+00 -1.8224970000e+00  1.8426680000e+00 -1.8177140000e+00 -1.7986260000e+00  2.2967060000e+00 -3.7370000000e-01
-ENERGY -1.526615593498e+02
-FORCES -1.8326000000e-03  8.7876000000e-03 -5.2500000000e-03 -3.2185000000e-03  2.1557000000e-03 -9.7900000000e-04  4.3039000000e-03 -9.4351000000e-03  4.2986000000e-03 -5.2541000000e-03 -2.3354000000e-03  2.9950000000e-03  3.3808000000e-03  1.1929000000e-03  3.6850000000e-03  2.6205000000e-03 -3.6580000000e-04 -4.7497000000e-03
-
-JOB 278
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9291800000e-01  2.0603800000e-01  6.2741200000e-01  4.1401200000e-01 -7.8881200000e-01  3.5014600000e-01  2.1388780000e+00  1.5170980000e+00 -7.0246600000e-01  2.6343320000e+00  7.8691200000e-01 -3.3154100000e-01  1.2259700000e+00  1.3176770000e+00 -4.9494900000e-01
-ENERGY -1.526574937488e+02
-FORCES  4.8515000000e-03 -4.4560000000e-04  1.5789000000e-03  4.4274000000e-03 -7.1800000000e-04 -3.0596000000e-03 -1.8097000000e-03  4.3301000000e-03 -1.0788000000e-03 -1.1648500000e-02 -1.0709200000e-02  5.0427000000e-03 -2.6660000000e-04  1.1962000000e-03 -8.5230000000e-04  4.4458000000e-03  6.3465000000e-03 -1.6309000000e-03
-
-JOB 279
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5316300000e-01 -5.5189300000e-01  2.1069100000e-01 -4.9492900000e-01  5.2936000000e-02  8.1760300000e-01 -9.0265000000e-01  2.1960500000e+00 -1.2389640000e+00 -1.5504870000e+00  2.4928620000e+00 -5.9987000000e-01 -4.3034500000e-01  1.4929420000e+00 -7.9309600000e-01
-ENERGY -1.526577111246e+02
-FORCES -4.1600000000e-04  3.7672000000e-03 -1.1988000000e-03 -4.8731000000e-03  2.0362000000e-03  3.5570000000e-04  2.8960000000e-03  1.4103000000e-03 -4.7648000000e-03  5.1075000000e-03 -1.2084000000e-02  7.0508000000e-03  2.2108000000e-03 -2.2955000000e-03 -6.3460000000e-04 -4.9253000000e-03  7.1658000000e-03 -8.0830000000e-04
-
-JOB 280
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4349500000e-01  5.9596100000e-01  7.0835900000e-01  4.9916300000e-01  3.0914900000e-01 -7.5597300000e-01 -1.0062040000e+00  2.6694760000e+00 -1.0571650000e+00 -1.6279690000e+00  3.2963740000e+00 -1.4268120000e+00 -1.4791810000e+00  2.2616730000e+00 -3.3175400000e-01
-ENERGY -1.526572096040e+02
-FORCES  4.2194000000e-03  5.4276000000e-03 -3.0672000000e-03 -2.9146000000e-03 -2.1553000000e-03 -2.1632000000e-03 -7.9780000000e-04 -3.5706000000e-03  3.8581000000e-03 -4.9531000000e-03 -1.2053000000e-03  1.5753000000e-03  2.2303000000e-03 -3.1851000000e-03  1.7245000000e-03  2.2158000000e-03  4.6887000000e-03 -1.9275000000e-03
-
-JOB 281
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2721800000e-01 -5.1884000000e-02 -4.7880100000e-01 -3.8709100000e-01  8.2981700000e-01 -2.7892000000e-01 -1.6537850000e+00 -1.9062520000e+00  6.8045700000e-01 -1.1046400000e+00 -2.4638390000e+00  1.2316090000e+00 -1.0909430000e+00 -1.1668170000e+00  4.5094200000e-01
-ENERGY -1.526583542726e+02
-FORCES -5.8481000000e-03 -8.7404000000e-03  9.3400000000e-05 -3.9321000000e-03  2.3665000000e-03  2.3358000000e-03  2.7046000000e-03 -4.8292000000e-03  7.3270000000e-04  1.4038300000e-02  1.2758100000e-02 -3.6640000000e-03 -4.5530000000e-04  1.5560000000e-03 -1.9475000000e-03 -6.5074000000e-03 -3.1111000000e-03  2.4496000000e-03
-
-JOB 282
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5306300000e-01 -3.8050500000e-01 -8.6488100000e-01 -7.8078100000e-01  5.2625000000e-01  1.7225900000e-01 -6.5939400000e-01 -6.7222600000e-01 -2.6092890000e+00 -1.1846700000e-01 -9.2536700000e-01 -3.3573200000e+00 -1.1536750000e+00  8.7625000000e-02 -2.9167670000e+00
-ENERGY -1.526599576293e+02
-FORCES -4.8739000000e-03 -3.2042000000e-03 -1.2115900000e-02  1.5663000000e-03  2.7723000000e-03  8.9351000000e-03  2.0256000000e-03 -9.8690000000e-04 -1.3979000000e-03  2.1320000000e-03  3.2414000000e-03 -1.1990000000e-04 -3.4018000000e-03  2.0256000000e-03  2.9226000000e-03  2.5518000000e-03 -3.8483000000e-03  1.7761000000e-03
-
-JOB 283
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9678400000e-01  4.3211000000e-01 -3.0765000000e-01 -2.8346400000e-01 -5.3617000000e-01 -7.4054100000e-01 -9.8365200000e-01 -2.2118930000e+00 -1.4667690000e+00 -6.0135200000e-01 -3.0619130000e+00 -1.6848210000e+00 -1.3447780000e+00 -1.8919870000e+00 -2.2934980000e+00
-ENERGY -1.526584361627e+02
-FORCES -1.0603000000e-03 -7.7506000000e-03 -5.6769000000e-03 -2.7817000000e-03 -2.3377000000e-03  1.4420000000e-04  1.5137000000e-03  9.8353000000e-03  1.3742000000e-03  1.2609000000e-03 -4.0317000000e-03 -7.6620000000e-04 -2.7834000000e-03  3.8741000000e-03 -1.5360000000e-04  3.8509000000e-03  4.1060000000e-04  5.0782000000e-03
-
-JOB 284
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8097500000e-01 -2.9294000000e-01  8.2781400000e-01 -5.9655400000e-01 -7.0475400000e-01 -2.5234500000e-01 -1.8640190000e+00 -1.6195070000e+00 -1.3070680000e+00 -1.3374090000e+00 -1.9912370000e+00 -2.0146910000e+00 -2.4549080000e+00 -2.3274250000e+00 -1.0502900000e+00
-ENERGY -1.526606718836e+02
-FORCES -7.6892000000e-03 -6.8782000000e-03 -2.4133000000e-03 -2.1733000000e-03 -2.5610000000e-04 -2.8631000000e-03  9.1236000000e-03  4.7109000000e-03  3.9108000000e-03 -1.5860000000e-04 -1.9806000000e-03 -1.8826000000e-03 -2.5889000000e-03  1.3708000000e-03  4.9654000000e-03  3.4864000000e-03  3.0333000000e-03 -1.7172000000e-03
-
-JOB 285
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2777000000e-01  5.4373300000e-01  3.0155800000e-01  4.1623700000e-01 -7.9542300000e-01 -3.3208600000e-01 -1.8188030000e+00  4.3008000000e-02  2.0361400000e+00 -2.2387610000e+00  8.0175200000e-01  1.6309560000e+00 -1.1187970000e+00 -1.9661000000e-01  1.4288450000e+00
-ENERGY -1.526600290550e+02
-FORCES  8.6960000000e-04  3.6030000000e-04  2.1568000000e-03 -4.2732000000e-03 -3.6046000000e-03 -1.2551000000e-03 -1.9532000000e-03  4.3481000000e-03  2.9565000000e-03  8.2440000000e-03  1.2426000000e-03 -1.4044300000e-02  8.0510000000e-04 -1.2538000000e-03  2.0379000000e-03 -3.6922000000e-03 -1.0925000000e-03  8.1482000000e-03
-
-JOB 286
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1572000000e-01  5.8198700000e-01 -7.2868900000e-01 -7.7919200000e-01 -5.4481000000e-01  1.1078900000e-01 -1.6603630000e+00 -1.9911590000e+00 -5.0199900000e-01 -2.5200200000e+00 -1.6538640000e+00 -2.5009800000e-01 -1.5207640000e+00 -2.7447180000e+00  7.1492000000e-02
-ENERGY -1.526544858930e+02
-FORCES -1.1217200000e-02 -1.3605800000e-02 -7.1102000000e-03 -1.9840000000e-04 -1.5581000000e-03  2.3462000000e-03 -1.2230000000e-04  7.2801000000e-03  5.2532000000e-03  4.6035000000e-03  7.8600000000e-04  1.8229000000e-03  8.1862000000e-03  1.8874000000e-03  2.0980000000e-04 -1.2517000000e-03  5.2104000000e-03 -2.5219000000e-03
-
-JOB 287
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3919000000e-01  2.9362000000e-01  8.7909400000e-01 -6.9305600000e-01 -6.1304100000e-01 -2.4512300000e-01 -1.2437690000e+00  2.1076510000e+00 -1.5268660000e+00 -2.0520720000e+00  2.3557100000e+00 -1.0781510000e+00 -8.4419600000e-01  1.4512490000e+00 -9.5615500000e-01
-ENERGY -1.526590931233e+02
-FORCES -1.4956000000e-03 -4.1038000000e-03  3.1185000000e-03 -5.0810000000e-04  1.3590000000e-04 -6.4977000000e-03  2.7288000000e-03  6.0246000000e-03  1.1093000000e-03  4.4075000000e-03 -6.6991000000e-03  6.5929000000e-03  3.1331000000e-03 -2.1916000000e-03 -3.6900000000e-04 -8.2657000000e-03  6.8341000000e-03 -3.9540000000e-03
-
-JOB 288
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1761500000e-01 -5.2075900000e-01  3.6065400000e-01 -3.8844000000e-01  4.3249700000e-01  7.6045600000e-01  2.4564170000e+00  1.4443820000e+00 -3.2598800000e-01  2.9524080000e+00  8.4855400000e-01  2.3545100000e-01  1.5416600000e+00  1.1987820000e+00 -1.8766500000e-01
-ENERGY -1.526558298667e+02
-FORCES  1.6670000000e-04 -3.2516000000e-03  3.8685000000e-03 -8.9390000000e-04  6.9701000000e-03 -2.0696000000e-03  4.5293000000e-03 -9.1070000000e-04 -4.7821000000e-03 -8.9900000000e-03 -5.5829000000e-03  1.0204000000e-03 -3.4632000000e-03  6.7450000000e-04 -1.6246000000e-03  8.6510000000e-03  2.1006000000e-03  3.5873000000e-03
-
-JOB 289
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4742500000e-01  2.3960000000e-02 -5.9750600000e-01 -5.8489600000e-01  6.8699000000e-01 -3.1964600000e-01  3.1343000000e-01 -2.0152560000e+00  3.5266170000e+00  3.5136900000e-01 -2.7576240000e+00  4.1296780000e+00 -3.5266200000e-01 -1.4373960000e+00  3.8989490000e+00
-ENERGY -1.526530361380e+02
-FORCES  1.3889000000e-03  2.4132000000e-03 -3.7180000000e-03 -3.2573000000e-03  1.0680000000e-04  2.1687000000e-03  2.2172000000e-03 -2.8651000000e-03  1.6471000000e-03 -3.0889000000e-03 -1.9800000000e-05  3.2784000000e-03  9.2000000000e-06  2.9810000000e-03 -2.6226000000e-03  2.7309000000e-03 -2.6161000000e-03 -7.5370000000e-04
-
-JOB 290
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8145200000e-01 -6.4647000000e-01  1.8420500000e-01 -8.1884100000e-01 -4.9296800000e-01  5.2091000000e-02 -2.0573010000e+00 -1.8339530000e+00 -2.1557500000e-01 -3.0000210000e+00 -1.6808910000e+00 -2.7947600000e-01 -1.9735000000e+00 -2.5611130000e+00  4.0122800000e-01
-ENERGY -1.526596629063e+02
-FORCES -8.7835000000e-03 -1.1000200000e-02 -1.6054000000e-03 -1.9363000000e-03  1.4278000000e-03  8.7800000000e-05  6.2976000000e-03  6.5052000000e-03  2.2740000000e-03 -2.9380000000e-04  2.1760000000e-04  1.3549000000e-03  4.9465000000e-03 -1.3515000000e-03  9.9140000000e-04 -2.3060000000e-04  4.2011000000e-03 -3.1027000000e-03
-
-JOB 291
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3437000000e-02  3.3197300000e-01  8.9619800000e-01  5.0441000000e-01 -8.1337600000e-01  1.4895000000e-02  4.8748200000e-01  1.0513360000e+00  2.4387730000e+00  9.3485700000e-01  3.8365600000e-01  2.9586680000e+00  1.1092580000e+00  1.7777610000e+00  2.3947950000e+00
-ENERGY -1.526591681452e+02
-FORCES  3.5322000000e-03  5.1225000000e-03  1.5253800000e-02 -1.5291000000e-03 -5.3777000000e-03 -8.5669000000e-03 -9.3310000000e-04  2.5138000000e-03  1.3875000000e-03  3.4331000000e-03 -7.4760000000e-04 -5.0112000000e-03 -1.8375000000e-03  3.0002000000e-03 -4.4161000000e-03 -2.6656000000e-03 -4.5113000000e-03  1.3528000000e-03
-
-JOB 292
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3837800000e-01  2.3971500000e-01  6.7174500000e-01  5.8610400000e-01 -6.1869700000e-01  4.3580700000e-01  2.2532860000e+00  1.5100070000e+00 -8.8422800000e-01  1.4471370000e+00  1.0137560000e+00 -7.4248500000e-01  2.2433460000e+00  2.1833540000e+00 -2.0398000000e-01
-ENERGY -1.526603343499e+02
-FORCES -8.1500000000e-05 -1.8300000000e-04  4.1704000000e-03  3.5867000000e-03 -1.9036000000e-03 -2.4454000000e-03 -2.5077000000e-03  5.0103000000e-03 -2.6273000000e-03 -1.0787900000e-02 -2.3383000000e-03  4.6661000000e-03  9.4357000000e-03  1.3920000000e-03 -2.1158000000e-03  3.5460000000e-04 -1.9774000000e-03 -1.6480000000e-03
-
-JOB 293
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1804800000e-01 -6.2744900000e-01 -8.3348000000e-02 -1.4170100000e-01  3.2219200000e-01 -8.9013800000e-01  1.6744320000e+00 -1.9385670000e+00 -8.6462300000e-01  2.2767500000e+00 -1.6942520000e+00 -1.5673010000e+00  2.1639140000e+00 -2.5702930000e+00 -3.3778200000e-01
-ENERGY -1.526587397882e+02
-FORCES  9.0178000000e-03 -1.1448200000e-02 -7.8199000000e-03 -3.6973000000e-03  6.1517000000e-03  4.3672000000e-03  6.6290000000e-04 -1.4530000000e-04  2.0270000000e-03 -6.0220000000e-04  2.8243000000e-03  6.1040000000e-04 -3.2618000000e-03 -1.3811000000e-03  3.8301000000e-03 -2.1193000000e-03  3.9986000000e-03 -3.0148000000e-03
-
-JOB 294
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7995500000e-01 -2.5724400000e-01  9.0425300000e-01  8.3968900000e-01  3.1951600000e-01 -3.3024900000e-01 -2.0542560000e+00  1.6909920000e+00 -6.4203300000e-01 -1.9798310000e+00  2.1110870000e+00 -1.4988950000e+00 -1.2852370000e+00  1.1238840000e+00 -5.8518600000e-01
-ENERGY -1.526598520880e+02
-FORCES -1.4617000000e-03  2.8227000000e-03  3.9305000000e-03  1.1924000000e-03  7.5430000000e-04 -4.8920000000e-03 -5.2420000000e-03 -6.2240000000e-04  1.3548000000e-03  9.2987000000e-03 -8.3830000000e-03  2.0409000000e-03  1.9043000000e-03 -2.1705000000e-03  2.7052000000e-03 -5.6917000000e-03  7.5989000000e-03 -5.1393000000e-03
-
-JOB 295
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8496400000e-01 -6.6859900000e-01  5.6490000000e-03 -1.1606500000e-01  2.3245500000e-01  9.2126300000e-01 -1.8442280000e+00 -1.8832450000e+00 -2.0249300000e-01 -2.7115290000e+00 -1.5640940000e+00  4.6833000000e-02 -1.2598850000e+00 -1.1430120000e+00 -3.8695000000e-02
-ENERGY -1.526572508150e+02
-FORCES -6.3610000000e-04 -6.2557000000e-03  1.0862000000e-03 -6.6488000000e-03  3.0197000000e-03  6.7650000000e-04 -2.6451000000e-03 -4.0667000000e-03 -5.9698000000e-03  1.0861400000e-02  1.5548300000e-02 -3.9180000000e-04  3.7982000000e-03  9.7330000000e-04  2.7370000000e-04 -4.7296000000e-03 -9.2189000000e-03  4.3252000000e-03
-
-JOB 296
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1137600000e-01  2.5889700000e-01 -5.8578900000e-01  4.3447500000e-01 -4.6855100000e-01  7.1268800000e-01 -1.8272910000e+00  1.7737690000e+00  6.2289000000e-01 -1.9045330000e+00  2.1068200000e+00  1.5169500000e+00 -9.7275500000e-01  1.3430870000e+00  6.0021800000e-01
-ENERGY -1.526571368104e+02
-FORCES -2.5911000000e-03  2.1423000000e-03  5.8280000000e-04 -4.0141000000e-03 -8.0620000000e-04  4.3591000000e-03 -2.4649000000e-03  4.3762000000e-03 -3.2978000000e-03  1.1228800000e-02 -1.0787000000e-02 -3.3941000000e-03  2.4140000000e-03 -3.0873000000e-03 -2.5096000000e-03 -4.5727000000e-03  8.1619000000e-03  4.2597000000e-03
-
-JOB 297
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2767700000e-01 -4.7918600000e-01 -3.9532000000e-02 -7.1908000000e-02  4.2566300000e-01 -8.5432500000e-01 -7.0930700000e-01 -2.6449700000e+00  2.0382710000e+00 -7.4296000000e-02 -3.2487870000e+00  1.6530480000e+00 -1.2283810000e+00 -2.3365600000e+00  1.2955200000e+00
-ENERGY -1.526553471908e+02
-FORCES  4.6047000000e-03  1.2211000000e-03 -2.7525000000e-03 -3.8607000000e-03  1.5535000000e-03 -9.1340000000e-04  8.4400000000e-05 -2.2705000000e-03  3.8197000000e-03 -5.1110000000e-04  8.4610000000e-04 -5.2459000000e-03 -1.8007000000e-03  2.6990000000e-03  1.3408000000e-03  1.4834000000e-03 -4.0492000000e-03  3.7513000000e-03
-
-JOB 298
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4455900000e-01 -3.7568100000e-01  2.4862900000e-01 -5.9289600000e-01 -7.5020800000e-01 -4.3513000000e-02  2.3754680000e+00 -1.7035880000e+00 -1.8886100000e-01  2.4955080000e+00 -1.9946720000e+00  7.1507100000e-01  2.7554400000e+00 -8.2530600000e-01 -2.1062600000e-01
-ENERGY -1.526556071816e+02
-FORCES  5.2494000000e-03 -1.0958000000e-02 -1.8861000000e-03 -2.3550000000e-04  7.2893000000e-03  2.6383000000e-03  4.9810000000e-04  3.2402000000e-03  8.4600000000e-04  4.2501000000e-03  1.0179000000e-03  7.1990000000e-04 -3.1490000000e-03  3.1353000000e-03 -4.6554000000e-03 -6.6131000000e-03 -3.7246000000e-03  2.3373000000e-03
-
-JOB 299
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2639700000e-01  2.1304900000e-01  1.1238900000e-01  1.2287600000e-01 -8.0734200000e-01  4.9933200000e-01 -1.9603760000e+00 -6.5855300000e-01 -2.7517280000e+00 -1.2579200000e+00 -8.6490000000e-03 -2.7720810000e+00 -2.5457310000e+00 -3.5756100000e-01 -2.0567490000e+00
-ENERGY -1.526542111547e+02
-FORCES -2.9223000000e-03 -4.4190000000e-03  2.7999000000e-03  3.0210000000e-03 -1.3170000000e-04 -1.7247000000e-03 -4.6200000000e-04  3.8674000000e-03 -1.4449000000e-03  2.7780000000e-03  3.9421000000e-03  3.1603000000e-03 -4.6441000000e-03 -2.1231000000e-03 -1.2249000000e-03  2.2294000000e-03 -1.1357000000e-03 -1.5658000000e-03
-
-JOB 300
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3890400000e-01  1.8879500000e-01  6.8730600000e-01 -4.7865600000e-01 -5.3665300000e-01 -6.3176200000e-01 -5.7879000000e-01 -1.4030000000e+00 -2.3327760000e+00 -8.3811700000e-01 -9.7617900000e-01 -3.1493570000e+00  1.4000500000e-01 -1.9834250000e+00 -2.5831180000e+00
-ENERGY -1.526610101522e+02
-FORCES -3.7518000000e-03 -5.1183000000e-03 -7.5099000000e-03  1.0528000000e-03 -1.2652000000e-03 -3.5777000000e-03  1.0033000000e-03  4.4162000000e-03  9.4939000000e-03  4.0837000000e-03  2.1800000000e-03 -1.2212000000e-03  1.5145000000e-03 -2.8519000000e-03  3.0363000000e-03 -3.9025000000e-03  2.6392000000e-03 -2.2120000000e-04
-
-JOB 301
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7309800000e-01 -3.9161600000e-01  2.3830000000e-02 -2.6644000000e-02  6.8654200000e-01  6.6647000000e-01  1.6707400000e-01 -9.2688200000e-01  3.5426120000e+00  9.9001000000e-01 -4.3799800000e-01  3.5418600000e+00 -4.8705800000e-01 -2.9612500000e-01  3.2417980000e+00
-ENERGY -1.526524044006e+02
-FORCES -3.5851000000e-03 -1.8640000000e-04  2.7668000000e-03  3.4319000000e-03  2.4196000000e-03 -9.1000000000e-05 -2.4700000000e-05 -2.6451000000e-03 -1.6610000000e-03  1.7182000000e-03  3.8181000000e-03 -1.8955000000e-03 -3.8930000000e-03 -1.4895000000e-03  4.1530000000e-04  2.3527000000e-03 -1.9166000000e-03  4.6540000000e-04
-
-JOB 302
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6121700000e-01 -7.3212300000e-01 -2.5546800000e-01  6.0827900000e-01  6.7507400000e-01  3.0083800000e-01  2.3385920000e+00 -1.4294150000e+00 -4.9268200000e-01  2.4990410000e+00 -2.1982210000e+00  5.4515000000e-02  2.9429610000e+00 -1.5281100000e+00 -1.2283650000e+00
-ENERGY -1.526600022351e+02
-FORCES  1.3216500000e-02 -4.0528000000e-03 -2.1538000000e-03 -7.3357000000e-03  8.7520000000e-04  2.4126000000e-03 -2.8948000000e-03 -2.4990000000e-04 -2.0520000000e-04  3.7890000000e-04 -3.8100000000e-04 -1.1836000000e-03 -1.3041000000e-03  3.9765000000e-03 -3.3596000000e-03 -2.0608000000e-03 -1.6800000000e-04  4.4895000000e-03
-
-JOB 303
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1800800000e-01 -6.2944900000e-01  5.0169000000e-01 -7.0035000000e-01  2.6413000000e-01  5.9663800000e-01 -2.9036040000e+00 -1.7737410000e+00  5.4462700000e-01 -2.1276200000e+00 -2.3220350000e+00  4.2863100000e-01 -2.8517940000e+00 -1.1316650000e+00 -1.6338800000e-01
-ENERGY -1.526566664443e+02
-FORCES -1.7500000000e-05 -5.3430000000e-04  6.1098000000e-03 -2.4355000000e-03  1.9477000000e-03 -2.6180000000e-03  2.9775000000e-03 -9.8020000000e-04 -4.1215000000e-03  3.7630000000e-03 -4.8230000000e-04 -5.6822000000e-03 -3.1344000000e-03  1.7548000000e-03  1.9608000000e-03 -1.1532000000e-03 -1.7058000000e-03  4.3511000000e-03
-
-JOB 304
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5971200000e-01  4.2076600000e-01  9.0690000000e-03 -5.9446100000e-01  6.7568900000e-01 -3.2602500000e-01 -1.9013170000e+00  1.6155110000e+00 -9.4865400000e-01 -1.8950660000e+00  2.2103520000e+00 -1.6985580000e+00 -2.6818580000e+00  1.0763920000e+00 -1.0764750000e+00
-ENERGY -1.526600611627e+02
-FORCES -9.5272000000e-03  1.1301000000e-02 -5.5968000000e-03 -3.0966000000e-03  1.6380000000e-04 -1.0244000000e-03  6.0286000000e-03 -6.4370000000e-03  3.9935000000e-03  3.5912000000e-03 -5.5861000000e-03 -5.4610000000e-04 -1.0563000000e-03 -3.1582000000e-03  3.4954000000e-03  4.0603000000e-03  3.7165000000e-03 -3.2160000000e-04
-
-JOB 305
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1464700000e-01  7.9698400000e-01 -3.3032800000e-01 -7.2317200000e-01 -6.1617800000e-01  1.1653000000e-01  6.7980300000e-01  3.1134160000e+00 -3.6291300000e-01 -1.9260000000e-02  3.0951950000e+00  2.9070100000e-01  2.8128200000e-01  3.5261900000e+00 -1.1290920000e+00
-ENERGY -1.526541957442e+02
-FORCES -2.4853000000e-03  2.0280000000e-03 -2.1382000000e-03 -1.8832000000e-03 -4.6039000000e-03  2.8457000000e-03  2.9593000000e-03  3.3308000000e-03 -4.8120000000e-04 -1.8261000000e-03  4.2368000000e-03  8.7960000000e-04  2.0351000000e-03 -1.8178000000e-03 -4.6966000000e-03  1.2002000000e-03 -3.1738000000e-03  3.5907000000e-03
-
-JOB 306
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7546400000e-01 -3.4996900000e-01 -7.5345000000e-01  6.4422800000e-01  5.3606000000e-01  4.6243100000e-01  1.3188800000e+00  1.7989510000e+00  1.5608070000e+00  5.1034800000e-01  2.1134270000e+00  1.9652970000e+00  1.7725610000e+00  1.3322060000e+00  2.2626290000e+00
-ENERGY -1.526609606260e+02
-FORCES  8.6873000000e-03  9.4225000000e-03  5.7406000000e-03  1.0050000000e-04  1.8290000000e-03  3.1987000000e-03 -5.8534000000e-03 -8.6002000000e-03 -4.7766000000e-03 -4.7478000000e-03 -1.3289000000e-03  2.3630000000e-03  4.9858000000e-03 -2.6648000000e-03 -1.9287000000e-03 -3.1724000000e-03  1.3424000000e-03 -4.5971000000e-03
-
-JOB 307
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4009500000e-01 -5.5345800000e-01 -2.4935100000e-01 -7.7156300000e-01 -5.4103800000e-01 -1.6792700000e-01 -1.8037640000e+00 -1.8133450000e+00 -7.7674700000e-01 -2.7250870000e+00 -1.5595840000e+00 -7.2196800000e-01 -1.6652840000e+00 -2.0160960000e+00 -1.7019210000e+00
-ENERGY -1.526587190318e+02
-FORCES -1.0305900000e-02 -1.4852600000e-02 -5.0257000000e-03 -1.5595000000e-03  1.5994000000e-03 -2.7430000000e-04  3.4194000000e-03  7.6239000000e-03  2.9777000000e-03  3.7078000000e-03  4.9284000000e-03 -2.0566000000e-03  5.8772000000e-03 -1.6590000000e-04 -6.7060000000e-04 -1.1389000000e-03  8.6680000000e-04  5.0495000000e-03
-
-JOB 308
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5486800000e-01  4.9540200000e-01  7.3815800000e-01  7.6865000000e-01 -2.5109000000e-01 -5.1221300000e-01 -2.9951800000e+00 -5.8220800000e-01 -7.7696300000e-01 -2.9818860000e+00 -1.1766860000e+00 -2.6863000000e-02 -2.2369870000e+00 -8.4026000000e-01 -1.3011620000e+00
-ENERGY -1.526549291865e+02
-FORCES  3.9170000000e-03  3.0360000000e-03  2.2460000000e-03 -9.9890000000e-04 -2.5425000000e-03 -3.1426000000e-03 -4.4238000000e-03  5.4930000000e-04  1.5890000000e-03  8.0639000000e-03 -1.7502000000e-03  2.8050000000e-03 -1.8157000000e-03  1.5303000000e-03 -2.6231000000e-03 -4.7426000000e-03 -8.2280000000e-04 -8.7430000000e-04
-
-JOB 309
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1350800000e-01  4.1047200000e-01 -6.0938700000e-01 -5.0396600000e-01 -6.0853500000e-01 -5.4031000000e-01 -1.2401690000e+00 -2.7119790000e+00  2.4344240000e+00 -2.0366840000e+00 -2.1821990000e+00  2.4680240000e+00 -5.4146200000e-01 -2.1115760000e+00  2.6943390000e+00
-ENERGY -1.526562508725e+02
-FORCES  5.6540000000e-04 -1.2152000000e-03 -5.3164000000e-03 -2.5326000000e-03 -1.7507000000e-03  2.4456000000e-03  2.0013000000e-03  3.4214000000e-03  1.9129000000e-03  4.4730000000e-04  5.7216000000e-03  1.2408000000e-03  2.6955000000e-03 -2.6115000000e-03 -3.2980000000e-04 -3.1769000000e-03 -3.5657000000e-03  4.6900000000e-05
-
-JOB 310
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5324400000e-01  6.9043500000e-01 -1.1315200000e-01  8.2575600000e-01  4.6852800000e-01  1.2182000000e-01  1.2173860000e+00 -8.3814500000e-01 -2.9471090000e+00  1.7844620000e+00 -1.1453490000e+00 -2.2398030000e+00  6.2248700000e-01 -2.1796100000e-01 -2.5255660000e+00
-ENERGY -1.526563073411e+02
-FORCES -4.9760000000e-04  4.7204000000e-03  3.4948000000e-03  3.6184000000e-03 -3.3298000000e-03 -7.7720000000e-04 -3.5289000000e-03 -2.9315000000e-03 -2.4418000000e-03 -2.5475000000e-03  2.8700000000e-05  8.0257000000e-03 -8.6700000000e-05  1.4503000000e-03 -3.3705000000e-03  3.0423000000e-03  6.1900000000e-05 -4.9309000000e-03
-
-JOB 311
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0562400000e-01  3.5184800000e-01  5.4270700000e-01 -1.5483300000e-01  6.7571900000e-01 -6.6004800000e-01  1.8664080000e+00  4.5726000000e-02  2.2363660000e+00  1.2289870000e+00 -5.5239800000e-01  2.6264620000e+00  1.4629540000e+00  9.1028000000e-01  2.3138450000e+00
-ENERGY -1.526569005914e+02
-FORCES  6.6815000000e-03  9.6180000000e-04  2.0866000000e-03 -8.0436000000e-03  3.9559000000e-03 -2.3864000000e-03  1.7488000000e-03 -1.7322000000e-03  3.7375000000e-03 -4.7755000000e-03 -2.0189000000e-03  4.8301000000e-03  3.7124000000e-03  3.7806000000e-03 -1.9668000000e-03  6.7640000000e-04 -4.9471000000e-03 -6.3011000000e-03
-
-JOB 312
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4462100000e-01  6.2023800000e-01  3.4058900000e-01  7.5320700000e-01  9.2052000000e-02  5.8347000000e-01  1.9960570000e+00  2.0158200000e-01  2.0347260000e+00  1.2822040000e+00  6.5136000000e-02  2.6576450000e+00  2.4498750000e+00 -6.4054700000e-01  2.0015570000e+00
-ENERGY -1.526599425985e+02
-FORCES  8.1395000000e-03  4.4543000000e-03  7.7908000000e-03  2.1502000000e-03 -2.4161000000e-03  2.0080000000e-04 -8.8945000000e-03 -3.2662000000e-03 -5.1847000000e-03 -2.9680000000e-04 -4.3997000000e-03  3.5191000000e-03  2.3976000000e-03  1.0714000000e-03 -5.8413000000e-03 -3.4961000000e-03  4.5564000000e-03 -4.8470000000e-04
-
-JOB 313
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3530000000e-02  9.2387800000e-01 -2.3223600000e-01  3.0861000000e-01 -4.7399800000e-01 -7.7221600000e-01  5.0243500000e-01 -1.6863790000e+00  1.8990270000e+00 -2.3756200000e-01 -2.2934620000e+00  1.9082780000e+00  3.1997400000e-01 -1.0967260000e+00  1.1674200000e+00
-ENERGY -1.526569072185e+02
-FORCES  4.0561000000e-03 -4.0721000000e-03  9.5346000000e-03 -5.0460000000e-04 -5.2740000000e-03 -1.6180000000e-03 -1.5063000000e-03  1.9279000000e-03  6.0769000000e-03 -5.5579000000e-03  1.3667800000e-02 -1.1773000000e-02  1.7583000000e-03  2.3384000000e-03 -1.8485000000e-03  1.7544000000e-03 -8.5880000000e-03 -3.7190000000e-04
-
-JOB 314
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0085700000e-01 -6.1371400000e-01  2.1996900000e-01  3.9823600000e-01  2.2125500000e-01  8.4183500000e-01 -2.1686560000e+00 -1.5942700000e+00  4.2795100000e-01 -2.3306720000e+00 -2.3365730000e+00 -1.5425900000e-01 -2.5554020000e+00 -1.8557970000e+00  1.2635730000e+00
-ENERGY -1.526603022183e+02
-FORCES -1.0637400000e-02 -7.7626000000e-03  4.2396000000e-03  8.1816000000e-03  5.0119000000e-03 -1.6874000000e-03 -2.1455000000e-03 -1.2599000000e-03 -1.7184000000e-03  2.6430000000e-03  2.5560000000e-04 -3.7920000000e-04  1.4600000000e-04  3.3415000000e-03  4.0470000000e-03  1.8123000000e-03  4.1350000000e-04 -4.5016000000e-03
-
-JOB 315
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7327300000e-01  6.7536900000e-01 -8.2535000000e-02 -8.1561100000e-01  4.8721500000e-01  1.1675800000e-01 -7.6500600000e-01 -1.0310380000e+00 -2.2202950000e+00 -2.7476700000e-01 -6.9199900000e-01 -1.4713280000e+00 -1.0053600000e-01 -1.4326380000e+00 -2.7801420000e+00
-ENERGY -1.526575765833e+02
-FORCES -6.3606000000e-03 -1.0875000000e-03 -9.6676000000e-03 -4.1206000000e-03 -4.2923000000e-03 -1.5847000000e-03  5.8022000000e-03 -2.4001000000e-03 -1.4817000000e-03  7.6921000000e-03  6.8067000000e-03  1.8805400000e-02 -3.2263000000e-03 -1.5860000000e-03 -9.9044000000e-03  2.1320000000e-04  2.5593000000e-03  3.8330000000e-03
-
-JOB 316
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2487200000e-01  6.4339900000e-01  6.2986400000e-01 -7.5532700000e-01 -3.9870200000e-01  4.3214600000e-01  8.8741800000e-01  2.1712050000e+00  1.6562410000e+00  5.6777700000e-01  1.7241020000e+00  2.4399250000e+00  1.8251640000e+00  2.2852830000e+00  1.8106780000e+00
-ENERGY -1.526587932475e+02
-FORCES  1.6357000000e-03  8.4547000000e-03  5.6782000000e-03 -4.1730000000e-03 -1.0140800000e-02 -1.5750000000e-03  3.0159000000e-03  2.2048000000e-03  7.7800000000e-05  3.7653000000e-03  9.6610000000e-04  3.1297000000e-03  9.9580000000e-04 -6.7090000000e-04 -7.1494000000e-03 -5.2397000000e-03 -8.1380000000e-04 -1.6130000000e-04
-
-JOB 317
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5678200000e-01 -3.9489100000e-01  1.6192000000e-01 -4.1241000000e-02  8.5049100000e-01  4.3726000000e-01  2.3745700000e+00 -1.4654850000e+00  7.1148700000e-01  1.6063770000e+00 -9.0450300000e-01  8.1830800000e-01  2.5063300000e+00 -1.8588100000e+00  1.5741370000e+00
-ENERGY -1.526592672284e+02
-FORCES -4.9323000000e-03  1.0664000000e-03 -8.7440000000e-04  4.3744000000e-03  2.5356000000e-03 -9.6300000000e-05  1.3099000000e-03 -5.7222000000e-03 -8.2180000000e-04 -7.6682000000e-03  3.8259000000e-03 -4.7210000000e-04  8.7967000000e-03 -3.6541000000e-03  5.1197000000e-03 -1.8805000000e-03  1.9484000000e-03 -2.8552000000e-03
-
-JOB 318
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8607700000e-01 -5.2859900000e-01  1.3746700000e-01  1.3498500000e-01  4.5063200000e-01  8.3363200000e-01 -1.9444500000e+00 -1.9853560000e+00 -4.6722500000e-01 -2.7818870000e+00 -1.5218930000e+00 -4.5565100000e-01 -1.7356950000e+00 -2.0805970000e+00 -1.3965160000e+00
-ENERGY -1.526602141643e+02
-FORCES -6.3700000000e-03 -7.5379000000e-03  1.1702000000e-03  4.9026000000e-03  9.8596000000e-03  1.7009000000e-03 -2.1888000000e-03 -2.4205000000e-03 -2.4444000000e-03 -3.8000000000e-05  1.5500000000e-05 -6.3198000000e-03  6.0014000000e-03 -3.9730000000e-04  9.9200000000e-04 -2.3073000000e-03  4.8060000000e-04  4.9010000000e-03
-
-JOB 319
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1515300000e-01 -4.8173000000e-01 -1.4033500000e-01  6.6295800000e-01 -6.7993200000e-01  1.2005000000e-01  2.1675090000e+00 -1.6754180000e+00 -2.9763700000e-01  2.0072300000e+00 -1.9827070000e+00 -1.1898900000e+00  2.7702050000e+00 -9.3914700000e-01 -4.0201500000e-01
-ENERGY -1.526603564160e+02
-FORCES  8.5087000000e-03 -1.0714600000e-02  1.0000000000e-04  3.3835000000e-03  3.8380000000e-04 -3.6170000000e-04 -7.3679000000e-03  7.8839000000e-03  2.5380000000e-04 -4.6950000000e-04  4.6021000000e-03 -5.5083000000e-03  3.1480000000e-04  1.6688000000e-03  4.7702000000e-03 -4.3696000000e-03 -3.8239000000e-03  7.4600000000e-04
-
-JOB 320
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5509100000e-01 -3.9873800000e-01  7.4170900000e-01 -2.2090800000e-01 -7.3648900000e-01 -5.7010100000e-01  3.3123570000e+00 -1.5994810000e+00 -7.7483900000e-01  4.0280620000e+00 -1.9033440000e+00 -1.3331080000e+00  2.6648300000e+00 -2.3035290000e+00 -8.1028500000e-01
-ENERGY -1.526532844174e+02
-FORCES  2.7078000000e-03 -4.0005000000e-03  4.5970000000e-04 -3.1152000000e-03  1.0738000000e-03 -2.7699000000e-03  6.2260000000e-04  2.3331000000e-03  2.3743000000e-03  1.1242000000e-03 -3.7703000000e-03 -3.1933000000e-03 -3.1373000000e-03  1.2480000000e-03  2.3570000000e-03  1.7978000000e-03  3.1158000000e-03  7.7220000000e-04
-
-JOB 321
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5178200000e-01  1.9059900000e-01 -9.2567100000e-01  4.7954500000e-01 -8.2841300000e-01 -1.0420000000e-03 -1.6325190000e+00 -1.9792960000e+00 -6.6821700000e-01 -1.3754180000e+00 -1.1875690000e+00 -1.9567100000e-01 -1.0087190000e+00 -2.0402110000e+00 -1.3916770000e+00
-ENERGY -1.526516145680e+02
-FORCES -1.6374000000e-03 -8.6839000000e-03 -6.2916000000e-03 -2.1250000000e-03 -4.5932000000e-03  5.0014000000e-03 -6.5924000000e-03  2.7630000000e-03 -1.4602000000e-03  9.9579000000e-03  1.4575300000e-02  4.2683000000e-03 -2.7100000000e-05 -5.9759000000e-03 -4.4537000000e-03  4.2390000000e-04  1.9147000000e-03  2.9358000000e-03
-
-JOB 322
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9128500000e-01 -1.8841000000e-01  2.9384500000e-01  1.0129800000e-01  7.1034000000e-01 -6.3355200000e-01 -2.2796000000e-01 -1.1148650000e+00 -3.7994320000e+00 -4.8544700000e-01 -1.5545760000e+00 -4.6097320000e+00 -9.9097300000e-01 -5.8947600000e-01 -3.5585800000e+00
-ENERGY -1.526543454678e+02
-FORCES  5.0493000000e-03  1.1917000000e-03 -2.1497000000e-03 -3.6239000000e-03  1.1199000000e-03 -5.0820000000e-04 -1.3023000000e-03 -2.3809000000e-03  2.7265000000e-03 -4.7606000000e-03 -4.2780000000e-04 -1.8207000000e-03  1.1061000000e-03  1.7838000000e-03  3.3259000000e-03  3.5313000000e-03 -1.2868000000e-03 -1.5739000000e-03
-
-JOB 323
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5511800000e-01 -4.2896600000e-01  3.1519000000e-02 -2.0170400000e-01  9.3508100000e-01 -3.4211000000e-02  1.4019870000e+00  5.2095000000e-02  2.2668860000e+00  5.9613200000e-01  4.0590500000e-01  2.6432470000e+00  1.1523930000e+00 -2.2938000000e-01  1.3867110000e+00
-ENERGY -1.526572312211e+02
-FORCES  1.1134000000e-03  2.8518000000e-03  7.1348000000e-03  4.1005000000e-03  3.3311000000e-03  1.0413000000e-03 -2.0270000000e-04 -5.2870000000e-03  1.0769000000e-03 -1.2006200000e-02 -8.1780000000e-04 -1.4380900000e-02  1.6669000000e-03  1.8170000000e-04 -1.3180000000e-04  5.3281000000e-03 -2.5980000000e-04  5.2598000000e-03
-
-JOB 324
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5064900000e-01  5.4086500000e-01  2.4540400000e-01 -3.8600800000e-01 -7.7685300000e-01 -4.0463500000e-01 -2.4707870000e+00  1.5670520000e+00  5.9017100000e-01 -2.1406060000e+00  2.4636460000e+00  6.4788200000e-01 -2.7483730000e+00  1.4717110000e+00 -3.2092100000e-01
-ENERGY -1.526602145148e+02
-FORCES -9.3985000000e-03  1.7749000000e-03  2.9392000000e-03  8.6682000000e-03 -3.5471000000e-03 -4.9446000000e-03  8.2100000000e-04  2.9471000000e-03  6.2790000000e-04 -2.8542000000e-03  5.3398000000e-03 -2.6069000000e-03 -8.2130000000e-04 -5.6040000000e-03 -8.7320000000e-04  3.5848000000e-03 -9.1060000000e-04  4.8576000000e-03
-
-JOB 325
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2534600000e-01  8.5714200000e-01 -2.4913000000e-02 -9.2544200000e-01  1.9550600000e-01  1.4685300000e-01 -2.0470090000e+00 -2.5627500000e+00  1.9225490000e+00 -2.4341460000e+00 -1.6993440000e+00  2.0670720000e+00 -2.3565890000e+00 -3.0907990000e+00  2.6584530000e+00
-ENERGY -1.526524078905e+02
-FORCES -2.1069000000e-03  3.7249000000e-03  2.5570000000e-04 -1.7155000000e-03 -3.7357000000e-03  2.1030000000e-04  3.3840000000e-03 -3.0850000000e-04  3.7000000000e-06 -2.2347000000e-03  1.0697000000e-03  4.0827000000e-03  1.3255000000e-03 -2.9031000000e-03 -1.4103000000e-03  1.3477000000e-03  2.1526000000e-03 -3.1421000000e-03
-
-JOB 326
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8580100000e-01  2.0193300000e-01  8.5241600000e-01  8.9715600000e-01  3.2846900000e-01  5.8750000000e-02  2.3732080000e+00  1.1718360000e+00  5.8861000000e-01  1.9642920000e+00  1.9433070000e+00  9.8085000000e-01  2.5360030000e+00  5.8492600000e-01  1.3270310000e+00
-ENERGY -1.526572359020e+02
-FORCES  1.4599400000e-02  7.9423000000e-03  4.0223000000e-03  2.3462000000e-03  1.7180000000e-04 -1.8084000000e-03 -8.7825000000e-03 -4.9528000000e-03  1.0844000000e-03 -4.4450000000e-03  1.1490000000e-04  3.3531000000e-03  5.1860000000e-04 -6.0423000000e-03 -1.7389000000e-03 -4.2366000000e-03  2.7661000000e-03 -4.9126000000e-03
-
-JOB 327
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4153000000e-02  5.7530000000e-01 -7.6464200000e-01  7.1477300000e-01 -6.1028900000e-01 -1.8132400000e-01  2.9400590000e+00  1.7456300000e+00 -1.3467950000e+00  3.3630480000e+00  1.9573630000e+00 -2.1789500000e+00  2.4395120000e+00  2.5309050000e+00 -1.1253710000e+00
-ENERGY -1.526560203559e+02
-FORCES  5.0501000000e-03 -3.4700000000e-05 -4.4708000000e-03 -1.5938000000e-03 -1.5057000000e-03  3.2132000000e-03 -4.0954000000e-03  1.1020000000e-03  1.2509000000e-03  1.1698000000e-03  5.2015000000e-03 -1.7356000000e-03 -2.1481000000e-03 -1.0646000000e-03  3.5531000000e-03  1.6176000000e-03 -3.6986000000e-03 -1.8108000000e-03
-
-JOB 328
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0222000000e-02  9.1614300000e-01  2.7659600000e-01 -2.8847700000e-01 -4.7894200000e-01  7.7693400000e-01  1.5817640000e+00 -7.7840500000e-01  2.6415650000e+00  1.9719940000e+00  2.5763000000e-02  2.2991210000e+00  1.7988660000e+00 -1.4463510000e+00  1.9912220000e+00
-ENERGY -1.526572770660e+02
-FORCES -1.7956000000e-03  1.5457000000e-03  7.0105000000e-03  1.0014000000e-03 -3.2502000000e-03 -1.3797000000e-03  5.9440000000e-04  1.1214000000e-03 -5.6387000000e-03  4.4879000000e-03  8.2960000000e-04 -6.1470000000e-03 -2.2207000000e-03 -2.3627000000e-03  2.4634000000e-03 -2.0674000000e-03  2.1162000000e-03  3.6914000000e-03
-
-JOB 329
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5652100000e-01  6.5525200000e-01 -2.3634100000e-01 -2.8142800000e-01 -3.7034900000e-01 -8.3658400000e-01  2.0937000000e+00  1.5674810000e+00 -8.2005800000e-01  2.1423400000e+00  2.2393800000e+00 -1.4004600000e-01  2.6435790000e+00  8.5528300000e-01 -4.9350100000e-01
-ENERGY -1.526594824447e+02
-FORCES  9.3844000000e-03  9.5517000000e-03 -8.7843000000e-03 -4.1020000000e-03 -6.4547000000e-03  7.0645000000e-03  1.3553000000e-03  6.8240000000e-04  2.3880000000e-03  1.6367000000e-03 -1.8494000000e-03  3.3846000000e-03 -2.0971000000e-03 -5.5875000000e-03 -2.9878000000e-03 -6.1773000000e-03  3.6575000000e-03 -1.0651000000e-03
-
-JOB 330
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5574900000e-01 -6.0310700000e-01 -4.9359600000e-01  4.3905700000e-01 -5.5276900000e-01  6.4645700000e-01  1.9783190000e+00  2.0716090000e+00  9.5122800000e-01  1.4960800000e+00  1.6552570000e+00  1.6656010000e+00  1.3287110000e+00  2.6191320000e+00  5.1025300000e-01
-ENERGY -1.526541307860e+02
-FORCES  1.8844000000e-03 -4.9190000000e-03  3.1200000000e-04  2.8668000000e-03  3.0257000000e-03  1.8657000000e-03 -3.1026000000e-03  2.7867000000e-03 -1.2464000000e-03 -8.5408000000e-03 -1.6187000000e-03 -2.1935000000e-03  3.1022000000e-03  2.8680000000e-04 -1.1861000000e-03  3.7900000000e-03  4.3860000000e-04  2.4483000000e-03
-
-JOB 331
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9478400000e-01  3.1291600000e-01  1.3295600000e-01  1.0093200000e-01 -8.1098700000e-01 -4.9834200000e-01 -1.3357800000e-01 -2.1803870000e+00 -1.6832370000e+00 -6.3267200000e-01 -1.9319640000e+00 -2.4613260000e+00  3.2877900000e-01 -2.9784180000e+00 -1.9393700000e+00
-ENERGY -1.526610997725e+02
-FORCES  2.1637000000e-03 -9.4997000000e-03 -6.5488000000e-03 -2.2986000000e-03 -1.8303000000e-03 -9.0200000000e-04 -1.1000000000e-05  8.2058000000e-03  5.1106000000e-03 -3.6940000000e-04  1.8740000000e-03 -6.8550000000e-04  3.1703000000e-03 -2.6282000000e-03  3.2522000000e-03 -2.6551000000e-03  3.8784000000e-03 -2.2650000000e-04
-
-JOB 332
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3982400000e-01 -4.5742000000e-01 -4.1151000000e-02  4.7421700000e-01 -4.3236000000e-01  7.1022100000e-01 -2.6415310000e+00 -1.0331280000e+00 -2.0222000000e-02 -2.4477110000e+00 -1.7184700000e+00 -6.5973100000e-01 -2.5631140000e+00 -1.4680540000e+00  8.2884800000e-01
-ENERGY -1.526578006888e+02
-FORCES -1.0944700000e-02 -3.8184000000e-03  1.5416000000e-03  1.1084700000e-02 -1.2226000000e-03  4.1000000000e-06 -3.2259000000e-03  4.5010000000e-04 -2.0704000000e-03 -1.9735000000e-03 -3.6761000000e-03  1.1270000000e-03  2.2587000000e-03  5.2817000000e-03  4.7041000000e-03  2.8007000000e-03  2.9854000000e-03 -5.3063000000e-03
-
-JOB 333
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6630200000e-01  3.9073100000e-01 -4.1993300000e-01  4.7580000000e-01 -4.2298600000e-01 -7.1479200000e-01 -1.0203960000e+00 -1.6267440000e+00  1.9710680000e+00 -7.7938100000e-01 -8.7131400000e-01  1.4349070000e+00 -1.9676030000e+00 -1.5481590000e+00  2.0844480000e+00
-ENERGY -1.526586853924e+02
-FORCES -2.8020000000e-04 -6.0095000000e-03 -2.2845000000e-03  2.7417000000e-03 -3.3692000000e-03  3.8836000000e-03 -2.6949000000e-03  3.7597000000e-03  2.0091000000e-03  4.1064000000e-03  7.7676000000e-03 -8.5457000000e-03 -7.0712000000e-03 -3.3088000000e-03  7.0729000000e-03  3.1982000000e-03  1.1601000000e-03 -2.1354000000e-03
-
-JOB 334
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3126300000e-01 -8.8449000000e-01  1.5548000000e-01  3.4123500000e-01  2.3587600000e-01 -8.6264300000e-01 -6.7768400000e-01  2.7477900000e-01  3.6029280000e+00 -9.7921700000e-01 -5.9878400000e-01  3.8523210000e+00 -9.6003600000e-01  8.4039700000e-01  4.3216670000e+00
-ENERGY -1.526523305787e+02
-FORCES  3.1085000000e-03 -2.6694000000e-03 -1.8624000000e-03 -1.5793000000e-03  3.1693000000e-03 -1.1450000000e-03 -1.5545000000e-03 -7.1360000000e-04  3.6725000000e-03 -2.8980000000e-03 -7.6210000000e-04  3.4687000000e-03  1.6449000000e-03  3.2893000000e-03 -1.1657000000e-03  1.2783000000e-03 -2.3136000000e-03 -2.9680000000e-03
-
-JOB 335
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9233300000e-01 -8.0867400000e-01 -3.2917100000e-01  7.9034000000e-02 -6.4987000000e-02  9.5171500000e-01 -3.1981850000e+00  1.3905990000e+00  1.4708550000e+00 -2.7350710000e+00  2.0296670000e+00  2.0124720000e+00 -2.9158130000e+00  5.4052500000e-01  1.8083050000e+00
-ENERGY -1.526526554360e+02
-FORCES  2.2429000000e-03 -3.3795000000e-03  1.8618000000e-03 -1.8498000000e-03  3.4760000000e-03  1.4698000000e-03 -1.0241000000e-03  2.6870000000e-04 -3.3980000000e-03  3.5953000000e-03 -9.8300000000e-04  2.1343000000e-03 -1.8435000000e-03 -2.8376000000e-03 -1.7990000000e-03 -1.1208000000e-03  3.4553000000e-03 -2.6880000000e-04
-
-JOB 336
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2816500000e-01  6.6025400000e-01  4.4870800000e-01 -4.0997000000e-01  4.7243200000e-01 -7.2454400000e-01 -1.3448130000e+00  1.2969590000e+00 -2.1069220000e+00 -1.4646660000e+00  9.0109400000e-01 -2.9701470000e+00 -2.1239610000e+00  1.8385320000e+00 -1.9809870000e+00
-ENERGY -1.526617526066e+02
-FORCES -4.0155000000e-03  7.0172000000e-03 -7.9171000000e-03 -2.1003000000e-03 -1.3482000000e-03 -1.5517000000e-03  5.2936000000e-03 -4.4185000000e-03  7.4557000000e-03 -2.2089000000e-03 -1.6054000000e-03 -3.2100000000e-05 -5.6740000000e-04  2.8034000000e-03  3.9605000000e-03  3.5984000000e-03 -2.4486000000e-03 -1.9154000000e-03
-
-JOB 337
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3614700000e-01 -5.0155600000e-01  5.0989300000e-01  5.1314300000e-01  4.7310200000e-01  6.5505000000e-01  1.8133720000e+00 -1.4747470000e+00 -1.5645070000e+00  2.1283040000e+00 -8.3049200000e-01 -2.1985300000e+00  1.1471520000e+00 -1.0085970000e+00 -1.0594460000e+00
-ENERGY -1.526617240322e+02
-FORCES  7.9190000000e-04 -1.1693000000e-03  3.5149000000e-03  3.8874000000e-03  2.8083000000e-03 -2.0438000000e-03 -2.8438000000e-03 -2.7803000000e-03 -3.4268000000e-03 -8.4681000000e-03  8.3211000000e-03  4.6694000000e-03 -8.1050000000e-04 -1.3051000000e-03  2.4148000000e-03  7.4431000000e-03 -5.8748000000e-03 -5.1285000000e-03
-
-JOB 338
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8972300000e-01  1.1464200000e-01  8.1440800000e-01 -5.7286300000e-01  7.6550900000e-01 -4.5348000000e-02  1.7642090000e+00 -7.8583800000e-01 -2.1737410000e+00  2.0410060000e+00 -1.0179170000e+00 -1.2873130000e+00  1.1476150000e+00 -6.3989000000e-02 -2.0513610000e+00
-ENERGY -1.526560499350e+02
-FORCES -3.9610000000e-04  2.0883000000e-03  3.1458000000e-03 -1.3939000000e-03 -1.0714000000e-03 -4.6829000000e-03  3.6690000000e-03 -3.5161000000e-03 -1.0497000000e-03 -7.2800000000e-03  2.7161000000e-03  1.0283600000e-02  2.6199000000e-03 -5.6940000000e-04 -2.4325000000e-03  2.7810000000e-03  3.5250000000e-04 -5.2643000000e-03
-
-JOB 339
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5635200000e-01 -6.9594100000e-01 -3.3160000000e-02  1.4029100000e-01  4.2200200000e-01  8.4762300000e-01  1.6768180000e+00  8.3384000000e-01  2.0269340000e+00  2.0764860000e+00  1.6648460000e+00  1.7701730000e+00  2.2536570000e+00  4.9087000000e-01  2.7094740000e+00
-ENERGY -1.526586896488e+02
-FORCES  1.0161400000e-02  6.2770000000e-04  1.0382300000e-02 -2.4743000000e-03  2.0270000000e-04 -1.9742000000e-03 -4.9142000000e-03  1.1644000000e-03 -4.3015000000e-03  7.1630000000e-04  3.8860000000e-04 -2.0897000000e-03 -1.8799000000e-03 -4.2228000000e-03  2.0881000000e-03 -1.6093000000e-03  1.8395000000e-03 -4.1050000000e-03
-
-JOB 340
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6296800000e-01  6.8081500000e-01 -3.6849600000e-01 -3.7495300000e-01 -4.4022600000e-01 -7.6278600000e-01  1.4064850000e+00 -1.8015910000e+00 -2.2943370000e+00  2.0076070000e+00 -2.4277510000e+00 -2.6978300000e+00  5.9504300000e-01 -1.8917380000e+00 -2.7940050000e+00
-ENERGY -1.526538876691e+02
-FORCES  4.1741000000e-03 -1.3870000000e-03 -6.3913000000e-03 -3.0580000000e-03 -1.1191000000e-03  2.2815000000e-03 -1.5640000000e-03  2.1658000000e-03  2.2738000000e-03  5.4480000000e-04 -4.4541000000e-03 -3.4723000000e-03 -2.6519000000e-03  2.8913000000e-03  1.6826000000e-03  2.5551000000e-03  1.9031000000e-03  3.6258000000e-03
-
-JOB 341
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7722000000e-01  7.8293900000e-01 -5.2137400000e-01 -7.8301000000e-01 -5.4048600000e-01 -1.0488900000e-01 -1.8187610000e+00 -6.9955700000e-01  2.5171750000e+00 -2.0396310000e+00  1.3382100000e-01  2.1013270000e+00 -2.4098180000e+00 -1.3340840000e+00  2.1118860000e+00
-ENERGY -1.526521888664e+02
-FORCES -3.2279000000e-03 -1.1358000000e-03 -1.3015000000e-03 -7.3600000000e-05 -3.1451000000e-03  3.4290000000e-03  2.0205000000e-03  3.0140000000e-03 -8.7430000000e-04 -1.3214000000e-03  2.4052000000e-03 -2.6427000000e-03 -8.3870000000e-04 -4.0320000000e-03  1.2710000000e-03  3.4409000000e-03  2.8937000000e-03  1.1840000000e-04
-
-JOB 342
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3547800000e-01 -6.6037000000e-01  5.3898300000e-01 -6.2225200000e-01  4.2138900000e-01  5.9284600000e-01 -7.9876900000e-01 -1.5109970000e+00 -1.9440060000e+00 -5.5172400000e-01 -8.1867800000e-01 -1.3309030000e+00 -9.3426500000e-01 -1.0576060000e+00 -2.7760580000e+00
-ENERGY -1.526591604008e+02
-FORCES -4.4647000000e-03 -8.6743000000e-03 -5.2603000000e-03 -3.4423000000e-03  4.1883000000e-03 -2.4404000000e-03  3.5766000000e-03 -2.7874000000e-03 -2.6088000000e-03  5.9022000000e-03  1.2963600000e-02  1.3638800000e-02 -2.1555000000e-03 -6.5613000000e-03 -7.1593000000e-03  5.8360000000e-04  8.7110000000e-04  3.8300000000e-03
-
-JOB 343
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0150500000e-01  9.3116300000e-01 -1.9713900000e-01 -5.4160200000e-01 -1.4134700000e-01  7.7647900000e-01  2.3946590000e+00 -9.7537900000e-01  7.6734600000e-01  1.5154700000e+00 -6.6572400000e-01  5.4969500000e-01  2.9286030000e+00 -7.3299600000e-01  1.0783000000e-02
-ENERGY -1.526593586799e+02
-FORCES  4.1664000000e-03  1.7625000000e-03  2.9433000000e-03 -2.4020000000e-04 -4.9471000000e-03  1.2535000000e-03  5.1674000000e-03  9.4910000000e-04 -3.8808000000e-03 -1.3655300000e-02  6.8142000000e-03 -8.4169000000e-03  5.8977000000e-03 -4.6163000000e-03  6.1806000000e-03 -1.3361000000e-03  3.7600000000e-05  1.9203000000e-03
-
-JOB 344
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8081300000e-01 -2.2130500000e-01 -7.2795000000e-01  2.7524000000e-01  8.9943100000e-01 -1.7747800000e-01 -1.5883230000e+00 -8.9409300000e-01 -1.9844340000e+00 -1.4371350000e+00 -3.0430900000e-01 -2.7230340000e+00 -1.2946770000e+00 -1.7499440000e+00 -2.2967220000e+00
-ENERGY -1.526591730045e+02
-FORCES -1.0182800000e-02 -4.2768000000e-03 -1.1519600000e-02  7.6537000000e-03  5.6897000000e-03  5.9314000000e-03 -1.9289000000e-03 -2.9592000000e-03 -1.6315000000e-03  5.1159000000e-03 -1.2684000000e-03  8.7130000000e-04  1.0055000000e-03 -2.4566000000e-03  5.6397000000e-03 -1.6635000000e-03  5.2713000000e-03  7.0870000000e-04
-
-JOB 345
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6632100000e-01 -4.6805400000e-01 -3.3152500000e-01  2.4801000000e-01  2.7070700000e-01  8.8399100000e-01 -2.7772300000e-01 -1.0890000000e-01 -3.2702390000e+00 -3.0828300000e-01 -9.7126200000e-01 -2.8559560000e+00 -1.1242390000e+00 -2.3187000000e-02 -3.7087550000e+00
-ENERGY -1.526533555327e+02
-FORCES  4.9947000000e-03  5.3950000000e-04  1.3643000000e-03 -3.8811000000e-03  1.7320000000e-04  1.6273000000e-03 -1.2017000000e-03 -8.6200000000e-04 -3.8813000000e-03 -5.3032000000e-03 -2.2065000000e-03  1.9487000000e-03  1.9022000000e-03  2.7654000000e-03 -2.1294000000e-03  3.4891000000e-03 -4.0960000000e-04  1.0704000000e-03
-
-JOB 346
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3050000000e-02 -9.5020700000e-01  8.9457000000e-02 -6.3590100000e-01  2.2675700000e-01 -6.7856000000e-01  2.0018710000e+00 -2.3868530000e+00  1.5468480000e+00  2.6730700000e+00 -1.7194790000e+00  1.6894500000e+00  2.4048800000e+00 -3.2008930000e+00  1.8487670000e+00
-ENERGY -1.526572382118e+02
-FORCES -2.1887000000e-03 -4.2576000000e-03 -1.5275000000e-03 -1.8265000000e-03  5.6661000000e-03 -2.0554000000e-03  2.4415000000e-03 -1.0373000000e-03  2.6068000000e-03  5.3005000000e-03  7.0800000000e-05  2.3733000000e-03 -2.2152000000e-03 -3.8755000000e-03 -1.5600000000e-04 -1.5116000000e-03  3.4335000000e-03 -1.2411000000e-03
-
-JOB 347
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2235900000e-01 -4.4746100000e-01  5.7330600000e-01 -1.3491900000e-01  9.3055700000e-01  1.7914400000e-01  2.6586780000e+00 -4.5769000000e-01  1.0539600000e-01  1.7835290000e+00 -2.0826600000e-01 -1.9147700000e-01  3.0517010000e+00 -8.9719000000e-01 -6.4866300000e-01
-ENERGY -1.526595757252e+02
-FORCES  3.6269000000e-03 -2.6882000000e-03  5.3399000000e-03  1.1000000000e-03  3.7837000000e-03 -2.8509000000e-03  1.6793000000e-03 -5.1374000000e-03 -8.0420000000e-04 -1.3151400000e-02  5.7700000000e-04 -1.9253000000e-03  9.6653000000e-03  2.1699000000e-03 -1.6519000000e-03 -2.9201000000e-03  1.2951000000e-03  1.8924000000e-03
-
-JOB 348
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8006300000e-01 -5.2835800000e-01  7.7759000000e-01 -8.4254000000e-02 -6.3747000000e-01 -7.0905900000e-01 -8.8013500000e-01 -2.2300620000e+00 -2.1029440000e+00 -1.5391250000e+00 -1.5884150000e+00 -2.3679990000e+00 -2.0636300000e-01 -2.1760560000e+00 -2.7806940000e+00
-ENERGY -1.526599160264e+02
-FORCES -7.0200000000e-04 -8.2411000000e-03 -1.1813000000e-03 -3.1960000000e-04  2.3199000000e-03 -2.2819000000e-03  1.8657000000e-03  8.0393000000e-03  3.4197000000e-03 -2.8386000000e-03 -5.9210000000e-04 -6.6822000000e-03  4.9348000000e-03 -2.4706000000e-03  2.1801000000e-03 -2.9404000000e-03  9.4450000000e-04  4.5455000000e-03
-
-JOB 349
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0435100000e-01  2.7306400000e-01 -8.2350900000e-01 -1.9726600000e-01 -9.3432500000e-01  6.5998000000e-02 -1.6227200000e-01 -2.4445610000e+00 -1.7519270000e+00  5.8969500000e-01 -2.7248420000e+00 -1.2301800000e+00 -8.0103900000e-01 -3.1502190000e+00 -1.6506650000e+00
-ENERGY -1.526571548699e+02
-FORCES -3.7800000000e-03 -6.1572000000e-03 -8.2425000000e-03  1.1718000000e-03  2.0598000000e-03  3.7758000000e-03  2.6101000000e-03  2.1516000000e-03  4.4785000000e-03  2.4485000000e-03 -4.3929000000e-03 -7.8400000000e-05 -5.3807000000e-03  2.1193000000e-03 -6.1020000000e-04  2.9303000000e-03  4.2194000000e-03  6.7670000000e-04
-
-JOB 350
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8442800000e-01  4.1192000000e-02  9.1303700000e-01 -2.9870900000e-01  8.2533000000e-01 -3.8188400000e-01 -2.4023100000e+00 -1.5459260000e+00  4.7931600000e-01 -1.5253600000e+00 -1.1682710000e+00  5.4689100000e-01 -2.5565760000e+00 -1.6275710000e+00 -4.6183700000e-01
-ENERGY -1.526544042169e+02
-FORCES -3.7028000000e-03  5.6331000000e-03  1.2788000000e-03 -4.1929000000e-03 -6.9912000000e-03 -6.8696000000e-03  1.8659000000e-03 -4.3763000000e-03  1.6606000000e-03  9.0305000000e-03  3.4364000000e-03 -8.3938000000e-03 -1.5333000000e-03  2.3478000000e-03  9.2244000000e-03 -1.4674000000e-03 -4.9800000000e-05  3.0996000000e-03
-
-JOB 351
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6571700000e-01 -1.8363100000e-01  3.6475500000e-01  6.0668600000e-01 -1.8544200000e-01  7.1678100000e-01  2.4727100000e+00 -2.1138460000e+00 -5.5580300000e-01  2.7768700000e+00 -1.2074820000e+00 -6.0294600000e-01  1.9833940000e+00 -2.1603660000e+00  2.6556000000e-01
-ENERGY -1.526518111486e+02
-FORCES -2.0908000000e-03 -1.5899000000e-03  3.6494000000e-03  4.0594000000e-03  5.7940000000e-04 -1.4910000000e-03 -7.6340000000e-04 -6.6970000000e-04 -3.3949000000e-03 -3.1920000000e-03  4.6830000000e-03  1.1532000000e-03 -3.4670000000e-04 -4.0287000000e-03  1.6220000000e-03  2.3336000000e-03  1.0259000000e-03 -1.5387000000e-03
-
-JOB 352
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2416100000e-01 -3.7397300000e-01  6.2193100000e-01  4.9888300000e-01  6.3542700000e-01  5.1340100000e-01  2.4531880000e+00 -1.5101350000e+00 -6.8486600000e-01  2.8835610000e+00 -7.7413700000e-01 -2.4975800000e-01  1.5516810000e+00 -1.2168660000e+00 -8.1719200000e-01
-ENERGY -1.526588317364e+02
-FORCES -4.2860000000e-04  4.8000000000e-04  5.8452000000e-03  3.0238000000e-03  2.3043000000e-03 -2.7019000000e-03 -1.2405000000e-03 -3.5599000000e-03 -2.6950000000e-03 -7.7562000000e-03  6.8178000000e-03  2.4241000000e-03 -7.7770000000e-04 -1.8595000000e-03 -7.1140000000e-04  7.1791000000e-03 -4.1827000000e-03 -2.1611000000e-03
-
-JOB 353
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1194100000e-01 -7.6534200000e-01 -4.0098400000e-01 -2.6425200000e-01  5.4590300000e-01 -7.4053600000e-01  1.1726940000e+00 -2.2132880000e+00 -5.2343000000e-01  1.0028740000e+00 -2.8689950000e+00 -1.1997740000e+00  1.1805500000e+00 -2.7093470000e+00  2.9516300000e-01
-ENERGY -1.526578045232e+02
-FORCES  9.4555000000e-03 -1.6996600000e-02 -5.2944000000e-03 -3.9475000000e-03  7.6860000000e-03  1.4786000000e-03  1.6543000000e-03 -3.9965000000e-03  3.7420000000e-04 -7.9051000000e-03  9.2892000000e-03  5.0678000000e-03  6.0380000000e-04  3.0704000000e-03  4.0617000000e-03  1.3900000000e-04  9.4750000000e-04 -5.6879000000e-03
-
-JOB 354
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6512300000e-01 -2.1279400000e-01 -3.5001700000e-01  1.4527000000e-01  1.2826700000e-01  9.3737700000e-01 -2.4178000000e-02 -2.2525200000e+00 -2.2936740000e+00 -1.5496200000e-01 -3.0390040000e+00 -2.8233630000e+00  5.7682100000e-01 -2.5268710000e+00 -1.6010250000e+00
-ENERGY -1.526524697376e+02
-FORCES  3.7994000000e-03  6.1600000000e-04  9.4170000000e-04 -3.1089000000e-03 -4.5150000000e-04  2.6713000000e-03 -8.5920000000e-04 -1.0756000000e-03 -4.1847000000e-03  6.1760000000e-04 -4.5534000000e-03  1.5334000000e-03  2.2470000000e-04  3.4648000000e-03  2.4617000000e-03 -6.7350000000e-04  1.9997000000e-03 -3.4234000000e-03
-
-JOB 355
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8716100000e-01 -6.4719700000e-01 -6.7995500000e-01 -3.1253500000e-01  8.2812600000e-01 -3.6436300000e-01  2.0721950000e+00 -6.6485700000e-01  2.1118650000e+00  1.4921050000e+00 -4.5257200000e-01  1.3806580000e+00  2.9485200000e+00 -4.4770900000e-01  1.7938500000e+00
-ENERGY -1.526613053308e+02
-FORCES -3.3325000000e-03  1.5334000000e-03 -3.8999000000e-03  9.9360000000e-04  3.6742000000e-03  2.7868000000e-03  9.9590000000e-04 -4.3536000000e-03  5.4150000000e-04 -3.0375000000e-03  2.9113000000e-03 -6.5814000000e-03  7.2935000000e-03 -3.1593000000e-03  6.4343000000e-03 -2.9131000000e-03 -6.0600000000e-04  7.1880000000e-04
-
-JOB 356
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6240300000e-01  4.1083400000e-01 -5.5558000000e-01 -5.0241600000e-01 -4.5768300000e-01  6.7404500000e-01  7.3993500000e-01 -1.9115740000e+00 -2.2192580000e+00  4.2474700000e-01 -1.0287540000e+00 -2.4129480000e+00  1.5527580000e+00 -1.9911130000e+00 -2.7184820000e+00
-ENERGY -1.526521400411e+02
-FORCES -4.1856000000e-03 -3.6757000000e-03  1.0620000000e-03  4.0204000000e-03 -2.3698000000e-03  3.7100000000e-05  1.8626000000e-03  2.9096000000e-03 -2.2021000000e-03  2.1011000000e-03  5.9534000000e-03  1.0317000000e-03 -6.1900000000e-04 -3.2025000000e-03 -2.2506000000e-03 -3.1796000000e-03  3.8490000000e-04  2.3218000000e-03
-
-JOB 357
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4264200000e-01 -1.2329700000e-01  9.1769000000e-01 -9.3248000000e-02  9.4755600000e-01 -9.8354000000e-02  4.0565600000e-01 -5.7326700000e-01  2.6114450000e+00  2.1648300000e-01 -1.5115570000e+00  2.6190170000e+00  1.3613360000e+00 -5.2101400000e-01  2.6247300000e+00
-ENERGY -1.526594226928e+02
-FORCES  4.0340000000e-04 -7.0210000000e-04  1.6405700000e-02  2.9708000000e-03  9.6110000000e-04 -1.0678400000e-02  1.0437000000e-03 -2.6830000000e-03  1.5893000000e-03 -1.1840000000e-04 -3.7198000000e-03 -3.0006000000e-03  2.0686000000e-03  5.6400000000e-03 -7.4020000000e-04 -6.3681000000e-03  5.0380000000e-04 -3.5758000000e-03
-
-JOB 358
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4682100000e-01  7.1741300000e-01 -3.2021400000e-01  5.9253900000e-01 -5.3704900000e-01  5.2603000000e-01 -2.4375050000e+00  5.6001600000e-01  8.4886900000e-01 -1.5133660000e+00  3.7263000000e-01  6.8428700000e-01 -2.6862000000e+00  1.1696480000e+00  1.5408000000e-01
-ENERGY -1.526583708382e+02
-FORCES -5.3526000000e-03  2.7354000000e-03  3.2825000000e-03 -2.8177000000e-03 -4.1241000000e-03  1.9076000000e-03 -3.0606000000e-03  3.9555000000e-03 -2.7532000000e-03  1.6905500000e-02 -3.1851000000e-03 -8.4766000000e-03 -7.0598000000e-03  1.6098000000e-03  4.4134000000e-03  1.3852000000e-03 -9.9150000000e-04  1.6262000000e-03
-
-JOB 359
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7950500000e-01  1.7258400000e-01  5.2803200000e-01  2.7815400000e-01 -8.7750500000e-01  2.6238900000e-01  7.8325800000e-01 -2.2255790000e+00  1.5114890000e+00  1.4452630000e+00 -2.8038150000e+00  1.1325110000e+00  6.2815500000e-01 -2.5797720000e+00  2.3871160000e+00
-ENERGY -1.526589065057e+02
-FORCES  4.1010000000e-04 -9.1961000000e-03  9.3409000000e-03  1.7039000000e-03  4.5710000000e-04 -1.6131000000e-03  9.8600000000e-05  3.7688000000e-03 -7.0616000000e-03 -1.4670000000e-04  1.1825000000e-03  1.7921000000e-03 -3.7443000000e-03  3.3085000000e-03  1.6127000000e-03  1.6785000000e-03  4.7920000000e-04 -4.0710000000e-03
-
-JOB 360
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7343700000e-01  3.7450100000e-01 -8.6365500000e-01  8.0293100000e-01 -5.0810800000e-01 -1.1558900000e-01 -1.1828350000e+00  1.4951600000e+00 -1.9119180000e+00 -1.6973750000e+00  2.1352870000e+00 -1.4202700000e+00 -5.2149000000e-01  2.0169710000e+00 -2.3664150000e+00
-ENERGY -1.526591543407e+02
-FORCES -5.8503000000e-03  5.6912000000e-03 -9.8436000000e-03  8.0796000000e-03 -5.1544000000e-03  5.6730000000e-03 -2.7810000000e-03  3.1328000000e-03 -2.1482000000e-03 -2.4710000000e-04  2.6152000000e-03  6.6098000000e-03  2.6674000000e-03 -2.0436000000e-03 -4.1032000000e-03 -1.8685000000e-03 -4.2411000000e-03  3.8122000000e-03
-
-JOB 361
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.9436700000e-01  3.1883900000e-01  1.2116800000e-01 -3.2040000000e-02 -2.8335500000e-01 -9.1373700000e-01  2.4934740000e+00  1.0638240000e+00 -6.0790300000e-01  2.3728720000e+00  1.9096880000e+00 -1.7639100000e-01  2.2396550000e+00  1.2200910000e+00 -1.5175120000e+00
-ENERGY -1.526576290205e+02
-FORCES  1.4413600000e-02  2.4769000000e-03 -5.4049000000e-03 -8.1208000000e-03  5.5260000000e-04  3.8285000000e-03 -6.0800000000e-04  1.4573000000e-03  1.6458000000e-03 -4.5931000000e-03  3.2472000000e-03 -3.4547000000e-03 -1.3963000000e-03 -6.1721000000e-03 -1.4335000000e-03  3.0470000000e-04 -1.5619000000e-03  4.8189000000e-03
-
-JOB 362
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5604400000e-01 -5.9876200000e-01 -7.0153900000e-01  2.9084800000e-01 -5.7245600000e-01  7.0988300000e-01 -1.1373360000e+00 -1.9832910000e+00 -1.7253060000e+00 -1.7049230000e+00 -1.7238710000e+00 -2.4511010000e+00 -1.1665930000e+00 -2.9400400000e+00 -1.7278940000e+00
-ENERGY -1.526605448052e+02
-FORCES -3.4628000000e-03 -9.9020000000e-03 -4.2051000000e-03  3.3822000000e-03  7.3435000000e-03  3.6585000000e-03 -5.3020000000e-04  1.6401000000e-03 -1.6970000000e-03 -1.3369000000e-03 -1.2219000000e-03 -2.8240000000e-04  2.8147000000e-03 -2.1143000000e-03  3.3197000000e-03 -8.6710000000e-04  4.2546000000e-03 -7.9370000000e-04
-
-JOB 363
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0514700000e-01  7.5313100000e-01 -5.0587600000e-01  7.8967000000e-01 -5.1614500000e-01  1.6200900000e-01  2.3630020000e+00  1.6921800000e+00 -8.8804900000e-01  2.4352020000e+00  2.2574460000e+00 -1.1896300000e-01  1.4975980000e+00  1.8862340000e+00 -1.2481200000e+00
-ENERGY -1.526515630478e+02
-FORCES  1.0515400000e-02  1.0207000000e-03 -1.7359000000e-03 -1.7775000000e-03  4.2700000000e-03 -2.6378000000e-03 -4.8549000000e-03  3.3600000000e-05  8.1870000000e-04 -2.5522000000e-03  4.5007000000e-03  2.3240000000e-03 -5.2160000000e-04 -3.3124000000e-03 -3.9769000000e-03 -8.0930000000e-04 -6.5126000000e-03  5.2079000000e-03
-
-JOB 364
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1892900000e-01  4.4814100000e-01 -8.3741100000e-01  6.4377600000e-01  5.3207800000e-01  4.6763000000e-01 -1.6913800000e-01  2.7646560000e+00  3.0032960000e+00  5.0808100000e-01  3.1659260000e+00  3.5478950000e+00  3.8365000000e-02  1.8302570000e+00  3.0119380000e+00
-ENERGY -1.526545210846e+02
-FORCES  1.6230000000e-03  4.9602000000e-03 -2.4310000000e-03  7.1870000000e-04 -2.3115000000e-03  3.1381000000e-03 -2.4959000000e-03 -3.0549000000e-03 -7.1380000000e-04  2.4680000000e-03 -2.2036000000e-03  3.4852000000e-03 -2.7245000000e-03 -1.7823000000e-03 -2.6208000000e-03  4.1070000000e-04  4.3921000000e-03 -8.5770000000e-04
-
-JOB 365
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1623600000e-01  8.2613500000e-01 -4.6927700000e-01 -4.0620900000e-01 -5.8446500000e-01 -6.4002100000e-01 -1.7564930000e+00 -9.3484100000e-01 -1.5681850000e+00 -2.4332640000e+00 -1.1977440000e+00 -9.4441000000e-01 -2.0743670000e+00 -1.0908100000e-01 -1.9332990000e+00
-ENERGY -1.526535479583e+02
-FORCES -1.6545700000e-02 -8.4099000000e-03 -1.8259600000e-02 -1.8130000000e-03 -1.8599000000e-03  5.2290000000e-04  4.4963000000e-03  1.3857000000e-03  5.3460000000e-03  8.0173000000e-03  1.0859900000e-02  1.3775400000e-02  3.7742000000e-03  1.6890000000e-03 -3.5488000000e-03  2.0710000000e-03 -3.6648000000e-03  2.1641000000e-03
-
-JOB 366
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8252800000e-01 -5.1663200000e-01  1.9228300000e-01  7.2734600000e-01 -6.0832600000e-01  1.3091200000e-01  1.7220200000e-01  2.5906100000e+00 -1.1075480000e+00  9.7469000000e-02  1.6686370000e+00 -8.6134900000e-01 -5.5312100000e-01  2.7363720000e+00 -1.7149130000e+00
-ENERGY -1.526610155644e+02
-FORCES  1.8730000000e-04 -8.2440000000e-04  6.6450000000e-04  4.2923000000e-03  1.4130000000e-03 -9.1350000000e-04 -4.4720000000e-03  1.8919000000e-03 -1.5310000000e-04 -2.3788000000e-03 -9.9950000000e-03  2.7769000000e-03  7.0960000000e-04  8.7278000000e-03 -4.5826000000e-03  1.6616000000e-03 -1.2134000000e-03  2.2078000000e-03
-
-JOB 367
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3616500000e-01  7.0318900000e-01  1.3058000000e-01 -4.5002300000e-01 -6.2909700000e-01 -5.6387000000e-01 -2.1028100000e-01  6.5911700000e-01 -3.4709230000e+00  3.2044500000e-01 -7.5207000000e-02 -3.1621680000e+00 -1.1079740000e+00  4.2022200000e-01 -3.2400360000e+00
-ENERGY -1.526529122763e+02
-FORCES -4.5178000000e-03  2.0443000000e-03 -1.7650000000e-03  2.2131000000e-03 -3.6111000000e-03 -1.2100000000e-05  2.1759000000e-03  2.2308000000e-03  9.1060000000e-04  2.0900000000e-05 -3.4782000000e-03  2.7575000000e-03 -3.4581000000e-03  2.1374000000e-03 -1.9208000000e-03  3.5661000000e-03  6.7670000000e-04  2.9800000000e-05
-
-JOB 368
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1125400000e-01 -4.4745600000e-01  7.8685200000e-01 -7.8578000000e-02  9.3133100000e-01  2.0659000000e-01 -6.8405100000e-01 -1.5979230000e+00 -2.0943810000e+00 -7.3604000000e-02 -2.2079760000e+00 -2.5084090000e+00 -1.3257700000e-01 -1.0456280000e+00 -1.5402340000e+00
-ENERGY -1.526603428671e+02
-FORCES -4.4426000000e-03 -1.4618000000e-03 -8.0720000000e-04  2.1243000000e-03  3.3699000000e-03 -2.8166000000e-03 -3.1400000000e-05 -4.4674000000e-03  5.6550000000e-04  4.1939000000e-03  6.7514000000e-03  7.0932000000e-03 -9.9490000000e-04  2.7629000000e-03  2.8404000000e-03 -8.4930000000e-04 -6.9549000000e-03 -6.8753000000e-03
-
-JOB 369
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4942300000e-01  2.9974200000e-01  8.7417100000e-01 -2.6612800000e-01  7.1131400000e-01 -5.8261500000e-01 -1.3080650000e+00 -2.6136700000e+00 -2.2395000000e-01 -1.0203410000e+00 -1.7178730000e+00 -4.7895000000e-02 -2.0127350000e+00 -2.5178520000e+00 -8.6464600000e-01
-ENERGY -1.526599273168e+02
-FORCES  3.4140000000e-04  5.2898000000e-03 -1.2160000000e-04 -2.5420000000e-04 -3.0681000000e-03 -5.3513000000e-03  7.9340000000e-04 -3.5720000000e-03  3.3826000000e-03  3.1567000000e-03  9.4221000000e-03 -2.0095000000e-03 -6.2850000000e-03 -8.3257000000e-03  2.1718000000e-03  2.2477000000e-03  2.5390000000e-04  1.9280000000e-03
-
-JOB 370
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6435000000e-02  8.6201900000e-01  4.1227300000e-01 -8.7528400000e-01 -3.7333500000e-01  1.0359400000e-01 -2.0501170000e+00 -1.7204500000e+00 -8.4992000000e-02 -1.5795670000e+00 -2.3963060000e+00  4.0289500000e-01 -2.7879270000e+00 -1.4874390000e+00  4.7854400000e-01
-ENERGY -1.526585502471e+02
-FORCES -1.2025800000e-02 -7.7175000000e-03 -1.5741000000e-03 -2.5599000000e-03 -3.8426000000e-03 -8.2940000000e-04  7.7158000000e-03  7.2805000000e-03  4.4078000000e-03  3.9020000000e-03 -1.8532000000e-03  2.2644000000e-03 -3.1461000000e-03  5.0466000000e-03 -1.9668000000e-03  6.1140000000e-03  1.0863000000e-03 -2.3019000000e-03
-
-JOB 371
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6482200000e-01  6.8614700000e-01 -3.5554100000e-01 -5.6452500000e-01 -7.7105900000e-01  5.4879000000e-02  1.0508530000e+00  1.8952680000e+00  1.6552130000e+00  1.9426100000e-01  2.2831800000e+00  1.8341170000e+00  8.7473300000e-01  1.2129280000e+00  1.0074290000e+00
-ENERGY -1.526569997549e+02
-FORCES -1.3714000000e-03  8.8500000000e-04  4.2342000000e-03  4.0910000000e-03 -2.2245000000e-03  4.8804000000e-03  1.2441000000e-03  4.6492000000e-03 -1.6473000000e-03 -6.8179000000e-03 -1.1086600000e-02 -5.8251000000e-03  1.8831000000e-03 -9.0690000000e-04 -1.6863000000e-03  9.7120000000e-04  8.6839000000e-03  4.4100000000e-05
-
-JOB 372
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2789900000e-01  4.4134100000e-01  1.8982400000e-01  6.0206200000e-01  7.0775700000e-01 -2.2985500000e-01  1.4118480000e+00 -2.6032770000e+00  1.6346580000e+00  2.0320300000e+00 -3.3313900000e+00  1.5964690000e+00  6.0429000000e-01 -2.9560340000e+00  1.2609670000e+00
-ENERGY -1.526536163680e+02
-FORCES  8.3430000000e-04  5.1077000000e-03  6.4320000000e-04  3.2256000000e-03 -2.3948000000e-03 -7.5060000000e-04 -2.9794000000e-03 -2.4416000000e-03  3.7920000000e-04 -2.3001000000e-03 -3.2158000000e-03 -2.9659000000e-03 -2.2469000000e-03  3.3544000000e-03  2.1900000000e-05  3.4665000000e-03 -4.0980000000e-04  2.6723000000e-03
-
-JOB 373
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4791000000e-02  7.1875300000e-01 -6.2772000000e-01  9.0303600000e-01 -2.7476900000e-01  1.5893100000e-01 -8.6760700000e-01 -1.3697640000e+00 -2.7182000000e+00 -1.1553180000e+00 -1.1359430000e+00 -3.6006860000e+00 -1.3296860000e+00 -7.5794800000e-01 -2.1451410000e+00
-ENERGY -1.526554703755e+02
-FORCES  6.5223000000e-03 -2.9520000000e-04 -2.6165000000e-03 -2.3878000000e-03 -3.0394000000e-03  2.1173000000e-03 -3.4323000000e-03  2.1825000000e-03  4.3980000000e-04 -3.4655000000e-03  2.2974000000e-03  1.6793000000e-03  1.7020000000e-03 -2.1110000000e-04  4.1113000000e-03  1.0613000000e-03 -9.3420000000e-04 -5.7311000000e-03
-
-JOB 374
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9323600000e-01  8.7190900000e-01  2.6461100000e-01 -2.7188500000e-01  1.0468900000e-01 -9.1178400000e-01 -2.8150250000e+00 -3.6538600000e-01 -1.7026000000e-02 -3.3642340000e+00 -7.6077500000e-01  6.5992900000e-01 -1.9251340000e+00 -6.3835200000e-01  2.0616900000e-01
-ENERGY -1.526600523161e+02
-FORCES -1.8756000000e-03  6.7513000000e-03 -2.2403000000e-03 -2.7690000000e-04 -3.7652000000e-03 -1.8872000000e-03  2.6460000000e-04 -1.8886000000e-03  5.8608000000e-03  7.3370000000e-03 -8.7800000000e-04  4.0127000000e-03  3.0662000000e-03  1.4573000000e-03 -1.5346000000e-03 -8.5152000000e-03 -1.6769000000e-03 -4.2115000000e-03
-
-JOB 375
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9475600000e-01 -3.3856800000e-01  3.1877000000e-02  4.8348000000e-01 -5.4039800000e-01  6.2485900000e-01  2.3027890000e+00  1.2948510000e+00 -6.1181900000e-01  1.5161840000e+00  7.6496400000e-01 -7.4106000000e-01  2.1229670000e+00  2.1096930000e+00 -1.0807850000e+00
-ENERGY -1.526590895606e+02
-FORCES  2.3930000000e-03  3.4160000000e-04  1.3961000000e-03  4.2824000000e-03  1.3306000000e-03  1.6435000000e-03 -2.7819000000e-03  2.2550000000e-03 -4.9488000000e-03 -1.2107300000e-02 -1.8308000000e-03 -4.4800000000e-05  7.9239000000e-03  3.0110000000e-04  9.2360000000e-04  2.9000000000e-04 -2.3975000000e-03  1.0304000000e-03
-
-JOB 376
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3606000000e-02  6.1786400000e-01 -7.2736300000e-01  8.8320300000e-01 -3.6033400000e-01 -7.9645000000e-02 -2.3004800000e-01 -2.1365380000e+00  2.4473620000e+00  6.1188300000e-01 -1.6812950000e+00  2.4590700000e+00 -5.1015500000e-01 -2.1466460000e+00  3.3626050000e+00
-ENERGY -1.526521271685e+02
-FORCES  2.7550000000e-03  1.5960000000e-04 -4.0270000000e-03 -6.8400000000e-05 -2.7490000000e-03  3.3457000000e-03 -3.1437000000e-03  1.8382000000e-03  1.7176000000e-03  1.5282000000e-03  3.8585000000e-03  3.0879000000e-03 -2.0174000000e-03 -2.9746000000e-03 -3.5910000000e-04  9.4620000000e-04 -1.3270000000e-04 -3.7651000000e-03
-
-JOB 377
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6926200000e-01 -6.0119000000e-02 -6.8169400000e-01  4.5064900000e-01 -2.6271100000e-01  8.0257700000e-01  8.4296900000e-01  3.3388800000e+00 -6.5722700000e-01  1.4832730000e+00  4.0121040000e+00 -8.8746900000e-01  1.2409530000e+00  2.8699870000e+00  7.6244000000e-02
-ENERGY -1.526539276177e+02
-FORCES  3.4184000000e-03 -2.0749000000e-03 -1.1514000000e-03 -2.3070000000e-03 -2.9020000000e-04  3.8338000000e-03 -1.4757000000e-03  2.3031000000e-03 -3.2920000000e-03  3.0034000000e-03  5.7480000000e-04  3.0843000000e-03 -2.6955000000e-03 -3.2602000000e-03  8.2380000000e-04  5.6400000000e-05  2.7473000000e-03 -3.2985000000e-03
-
-JOB 378
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8191100000e-01  7.4082900000e-01  1.6965700000e-01  2.2269300000e-01 -6.3985400000e-01  6.7618500000e-01  1.0724860000e+00  2.4189250000e+00  4.8642400000e-01  8.6817200000e-01  3.0986110000e+00 -1.5584900000e-01  3.9428200000e-01  2.5096020000e+00  1.1557880000e+00
-ENERGY -1.526597278837e+02
-FORCES  8.6663000000e-03  1.1621100000e-02  1.5172000000e-03 -6.2860000000e-03 -8.7558000000e-03  2.1442000000e-03 -1.3120000000e-04  4.0944000000e-03 -9.1410000000e-04 -6.6665000000e-03 -1.6044000000e-03 -2.7193000000e-03  4.7070000000e-04 -2.7930000000e-03  4.1614000000e-03  3.9467000000e-03 -2.5622000000e-03 -4.1894000000e-03
-
-JOB 379
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0379600000e-01 -2.2339700000e-01  6.0909500000e-01 -4.5086400000e-01  3.3228000000e-01 -7.7623700000e-01  2.5177640000e+00 -1.7222000000e-01 -1.1497280000e+00  3.1840440000e+00  5.0913200000e-01 -1.0599330000e+00  1.7472360000e+00  1.8604400000e-01 -7.0908400000e-01
-ENERGY -1.526587207413e+02
-FORCES -1.0675000000e-03 -2.4063000000e-03  3.3410000000e-04  1.5702000000e-03  1.2937000000e-03 -3.9468000000e-03  3.9805000000e-03 -8.2550000000e-04  4.3262000000e-03 -6.2477000000e-03  1.4423000000e-03  6.2661000000e-03 -3.2947000000e-03 -1.8437000000e-03  3.8050000000e-04  5.0592000000e-03  2.3395000000e-03 -7.3601000000e-03
-
-JOB 380
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0486900000e-01 -6.6464000000e-01 -6.1769000000e-01 -4.6783200000e-01 -1.9452600000e-01  8.1211100000e-01  1.7727860000e+00  1.5363160000e+00 -2.0668570000e+00  1.2001330000e+00  1.3814590000e+00 -1.3156450000e+00  1.3245550000e+00  1.1162530000e+00 -2.8009330000e+00
-ENERGY -1.526590648593e+02
-FORCES -3.1380000000e-03 -4.3114000000e-03  2.6398000000e-03  1.1573000000e-03  3.7591000000e-03  2.2945000000e-03  1.7190000000e-03 -1.6720000000e-04 -3.9497000000e-03 -5.4330000000e-03 -3.2707000000e-03  3.4664000000e-03  4.2286000000e-03  3.1485000000e-03 -6.7779000000e-03  1.4662000000e-03  8.4160000000e-04  2.3268000000e-03
-
-JOB 381
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8128700000e-01 -7.0256800000e-01 -2.9109500000e-01  3.9425700000e-01  7.9854500000e-01 -3.5088200000e-01  1.6225530000e+00 -2.1579960000e+00 -6.2555600000e-01  1.3551300000e+00 -2.1484830000e+00 -1.5445910000e+00  1.0225920000e+00 -2.7756040000e+00 -2.0741800000e-01
-ENERGY -1.526592285985e+02
-FORCES  1.1360100000e-02 -8.1855000000e-03 -2.4367000000e-03 -9.5866000000e-03  5.6785000000e-03 -1.1266000000e-03 -6.3350000000e-04 -3.2810000000e-03  6.2200000000e-05 -3.3749000000e-03 -3.1414000000e-03 -3.2340000000e-04 -2.3980000000e-04  3.3601000000e-03  6.6882000000e-03  2.4747000000e-03  5.5693000000e-03 -2.8636000000e-03
-
-JOB 382
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8494300000e-01 -6.9329800000e-01 -5.9529600000e-01  2.6647600000e-01  7.1647600000e-01 -5.7609400000e-01 -1.2597000000e+00 -2.0881550000e+00 -1.2563900000e+00 -1.4198800000e+00 -3.0315970000e+00 -1.2342460000e+00 -6.0397900000e-01 -1.9721380000e+00 -1.9439960000e+00
-ENERGY -1.526542391926e+02
-FORCES -6.3825000000e-03 -6.8558000000e-03 -3.5653000000e-03  6.7096000000e-03  4.7458000000e-03 -5.2872000000e-03 -1.4065000000e-03 -4.3426000000e-03  3.2670000000e-04  2.1347000000e-03 -2.4919000000e-03  2.0455000000e-03  4.7540000000e-04  4.6156000000e-03 -1.7445000000e-03 -1.5307000000e-03  4.3288000000e-03  8.2247000000e-03
-
-JOB 383
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8447100000e-01 -4.4179200000e-01 -5.0254600000e-01 -5.9645700000e-01  3.4917000000e-01 -6.6223200000e-01 -1.3833830000e+00 -2.2885090000e+00  1.9368630000e+00 -1.3106810000e+00 -2.5492300000e+00  2.8549970000e+00 -4.9258800000e-01 -2.3638160000e+00  1.5947430000e+00
-ENERGY -1.526540130769e+02
-FORCES -1.8061000000e-03  9.1580000000e-04 -5.0961000000e-03 -2.9868000000e-03  5.8880000000e-04  3.2894000000e-03  3.2627000000e-03 -9.6100000000e-04  2.3374000000e-03  5.0323000000e-03  1.1003000000e-03  1.0954000000e-03 -2.8520000000e-04  1.2128000000e-03 -3.6673000000e-03 -3.2169000000e-03 -2.8567000000e-03  2.0413000000e-03
-
-JOB 384
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3227500000e-01  4.2006900000e-01 -8.2814400000e-01 -8.2275300000e-01 -3.6929400000e-01  3.2082800000e-01 -2.4354930000e+00 -1.6512870000e+00  4.4028700000e-01 -2.8651590000e+00 -9.2522200000e-01 -1.1873000000e-02 -2.4068990000e+00 -2.3546650000e+00 -2.0830700000e-01
-ENERGY -1.526575884253e+02
-FORCES -7.3295000000e-03 -4.6532000000e-03  3.7270000000e-04 -4.0990000000e-04 -1.9744000000e-03  2.8559000000e-03  4.4387000000e-03  8.0614000000e-03 -3.2789000000e-03 -2.0244000000e-03 -3.4927000000e-03 -5.1315000000e-03  6.4735000000e-03 -1.8902000000e-03  2.2391000000e-03 -1.1484000000e-03  3.9490000000e-03  2.9427000000e-03
-
-JOB 385
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2120700000e-01  7.7960200000e-01  5.0943200000e-01  4.0738900000e-01 -5.9215000000e-01  6.3215900000e-01  1.1876360000e+00 -1.7092190000e+00  1.6726910000e+00  1.7472940000e+00 -1.2013290000e+00  2.2601100000e+00  1.7881830000e+00 -2.3045770000e+00  1.2242210000e+00
-ENERGY -1.526592739683e+02
-FORCES  6.4057000000e-03 -1.0878300000e-02  1.2162200000e-02  1.9348000000e-03 -2.9036000000e-03  7.3400000000e-05 -3.2746000000e-03  8.1714000000e-03 -5.9685000000e-03  1.0795000000e-03  3.5747000000e-03 -5.1316000000e-03 -3.4745000000e-03 -1.7919000000e-03 -4.2400000000e-03 -2.6709000000e-03  3.8277000000e-03  3.1044000000e-03
-
-JOB 386
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8252000000e-02 -5.4167500000e-01 -7.8623300000e-01 -8.5931600000e-01 -2.1268400000e-01  3.6410500000e-01  8.5704700000e-01 -1.4285660000e+00 -1.9811360000e+00  1.8027860000e+00 -1.3334820000e+00 -2.0941310000e+00  5.0828300000e-01 -1.4348520000e+00 -2.8725150000e+00
-ENERGY -1.526584743208e+02
-FORCES  5.5089000000e-03 -1.0687100000e-02 -1.3391500000e-02 -5.2180000000e-03  4.7251000000e-03  6.1556000000e-03  2.3498000000e-03 -9.6390000000e-04 -3.5086000000e-03  5.8900000000e-04  7.7052000000e-03  7.6632000000e-03 -5.0805000000e-03 -1.3568000000e-03 -1.8976000000e-03  1.8507000000e-03  5.7760000000e-04  4.9788000000e-03
-
-JOB 387
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4655700000e-01 -1.0519800000e-01 -8.8603800000e-01  8.5388700000e-01  4.1443000000e-01 -1.2392400000e-01 -9.0937400000e-01  2.6643430000e+00  4.0855000000e-01 -1.8429540000e+00  2.6955930000e+00  1.9954600000e-01 -6.4331100000e-01  1.7722490000e+00  1.8581600000e-01
-ENERGY -1.526585498472e+02
-FORCES  3.7345000000e-03 -1.1159000000e-03 -3.2366000000e-03  5.5700000000e-04  3.5490000000e-03  5.7742000000e-03 -7.6476000000e-03  4.1470000000e-04  8.2340000000e-04 -3.1240000000e-04 -1.2296000000e-02 -1.5790000000e-04  3.1159000000e-03 -9.0950000000e-04 -1.2170000000e-04  5.5250000000e-04  1.0357600000e-02 -3.0815000000e-03
-
-JOB 388
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5837600000e-01 -2.4465000000e-02  8.8724300000e-01  4.6914300000e-01 -8.2922900000e-01 -9.2279000000e-02 -2.4350140000e+00 -1.5233120000e+00 -1.0385080000e+00 -3.2229900000e+00 -1.4777960000e+00 -1.5800360000e+00 -2.0436110000e+00 -6.5277900000e-01 -1.1106690000e+00
-ENERGY -1.526597849351e+02
-FORCES  1.6405000000e-03 -5.5279000000e-03  4.4289000000e-03  1.4144000000e-03  7.4160000000e-04 -4.1668000000e-03 -1.3128000000e-03  4.3995000000e-03  6.3870000000e-04  1.2421000000e-03  4.8663000000e-03 -1.6343000000e-03  3.4368000000e-03  7.0160000000e-04  2.1083000000e-03 -6.4211000000e-03 -5.1810000000e-03 -1.3748000000e-03
-
-JOB 389
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1979000000e-02  9.2135900000e-01  2.5750000000e-01 -7.3306100000e-01 -1.0528000000e-01 -6.0644100000e-01 -1.3320780000e+00  1.6796510000e+00 -2.1758920000e+00 -5.9154900000e-01  2.1396510000e+00 -1.7806070000e+00 -9.3238600000e-01  9.7528300000e-01 -2.6861310000e+00
-ENERGY -1.526554974016e+02
-FORCES -7.2863000000e-03  5.3598000000e-03 -2.1818000000e-03  2.2213000000e-03 -2.0659000000e-03 -1.7281000000e-03  5.0338000000e-03 -2.6229000000e-03  9.2640000000e-04  7.0930000000e-03 -2.2600000000e-04 -1.6986000000e-03 -3.9315000000e-03 -2.1710000000e-03  6.4780000000e-04 -3.1303000000e-03  1.7261000000e-03  4.0343000000e-03
-
-JOB 390
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0600000000e-04 -4.0253700000e-01 -8.6844400000e-01 -2.7851000000e-02  9.4125200000e-01 -1.7175800000e-01  2.0171840000e+00 -1.8006440000e+00  8.9876400000e-01  1.4472090000e+00 -2.4343620000e+00  1.3343810000e+00  1.4221590000e+00 -1.1217700000e+00  5.8047700000e-01
-ENERGY -1.526607845047e+02
-FORCES  4.9300000000e-05  2.9411000000e-03 -2.6409000000e-03  1.9912000000e-03  1.5798000000e-03  6.0113000000e-03 -4.9060000000e-04 -4.9221000000e-03 -3.1710000000e-04 -9.4552000000e-03  6.6915000000e-03  1.2390000000e-04  1.6521000000e-03  1.5527000000e-03 -1.8162000000e-03  6.2533000000e-03 -7.8431000000e-03 -1.3609000000e-03
-
-JOB 391
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5186600000e-01 -6.0257800000e-01 -6.9978300000e-01  2.3790300000e-01 -5.6865200000e-01  7.3230400000e-01 -2.4075960000e+00  1.2761420000e+00  1.0111830000e+00 -1.6803790000e+00  6.5376300000e-01  1.0168250000e+00 -2.9865800000e+00  9.7507000000e-01  1.7114440000e+00
-ENERGY -1.526575907187e+02
-FORCES  1.6829000000e-03 -3.9623000000e-03 -3.8645000000e-03  1.4889000000e-03  2.5243000000e-03  4.2714000000e-03 -4.9183000000e-03  4.1528000000e-03 -2.4412000000e-03  6.1526000000e-03 -3.8449000000e-03 -1.4162000000e-03 -7.9035000000e-03  1.3484000000e-03  6.1862000000e-03  3.4975000000e-03 -2.1820000000e-04 -2.7357000000e-03
-
-JOB 392
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5415000000e-01 -1.7833000000e-02  7.4241000000e-02  2.2611300000e-01 -8.4397900000e-01 -3.9090200000e-01  8.8836200000e-01 -2.2308180000e+00 -1.3510570000e+00  2.7884300000e-01 -2.3559110000e+00 -2.0784300000e+00  1.1095670000e+00 -3.1180560000e+00 -1.0680200000e+00
-ENERGY -1.526601400792e+02
-FORCES  3.0766000000e-03 -1.1063900000e-02 -4.9924000000e-03  2.9640000000e-03 -1.2272000000e-03 -1.3757000000e-03 -5.5448000000e-03  8.4614000000e-03  3.3466000000e-03 -9.2840000000e-04 -8.2640000000e-04  3.9840000000e-04  2.2040000000e-03  5.8760000000e-04  5.2735000000e-03 -1.7715000000e-03  4.0685000000e-03 -2.6504000000e-03
-
-JOB 393
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3478100000e-01 -7.0541800000e-01  1.2518600000e-01  4.1694300000e-01  5.8928400000e-01 -6.2859800000e-01  3.3236700000e-01  2.0393080000e+00 -1.6779590000e+00 -2.5202700000e-01  2.7801260000e+00 -1.5170090000e+00  8.6523800000e-01  2.3118690000e+00 -2.4249470000e+00
-ENERGY -1.526594473456e+02
-FORCES  2.6396000000e-03  9.1174000000e-03 -8.2857000000e-03 -8.2810000000e-04  3.3908000000e-03 -2.1996000000e-03  4.9480000000e-04 -7.4018000000e-03  5.4660000000e-03 -3.2950000000e-03 -2.1344000000e-03  4.2254000000e-03  3.8008000000e-03 -2.1798000000e-03 -2.8588000000e-03 -2.8121000000e-03 -7.9220000000e-04  3.6528000000e-03
-
-JOB 394
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7775600000e-01 -8.0338300000e-01  2.0629400000e-01  3.6534900000e-01 -1.5500000000e-01 -8.7104900000e-01  1.9068650000e+00  8.0705500000e-01  1.4918650000e+00  1.7556440000e+00  1.5437920000e+00  2.0839650000e+00  1.0684770000e+00  6.8007100000e-01  1.0477790000e+00
-ENERGY -1.526581749480e+02
-FORCES  1.2393200000e-02  1.1575000000e-03  7.2820000000e-03  2.4257000000e-03  3.6655000000e-03 -2.4528000000e-03 -3.0899000000e-03 -4.6080000000e-04  4.4060000000e-03 -1.5378200000e-02 -6.2109000000e-03 -1.1349100000e-02 -2.5729000000e-03 -2.6750000000e-03 -2.9020000000e-03  6.2222000000e-03  4.5237000000e-03  5.0159000000e-03
-
-JOB 395
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1662300000e-01  3.0045000000e-01  8.8263000000e-01 -6.8602400000e-01  3.7102100000e-01 -5.5493000000e-01 -1.9106600000e-01  2.9568840000e+00  2.2582000000e+00 -7.9090500000e-01  2.2210630000e+00  2.3806350000e+00 -6.3334600000e-01  3.6983850000e+00  2.6714760000e+00
-ENERGY -1.526526080514e+02
-FORCES -2.4827000000e-03  4.2183000000e-03  9.2990000000e-04 -8.9420000000e-04 -1.6752000000e-03 -2.3945000000e-03  2.4173000000e-03 -2.1338000000e-03  2.4136000000e-03 -4.3075000000e-03  1.6197000000e-03  3.2873000000e-03  3.2212000000e-03  1.1963000000e-03 -2.2783000000e-03  2.0459000000e-03 -3.2252000000e-03 -1.9579000000e-03
-
-JOB 396
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0336300000e-01 -2.8687700000e-01 -4.3421300000e-01  8.0670000000e-03 -4.7747100000e-01  8.2957100000e-01 -1.1156800000e-01 -1.2319510000e+00  2.2528820000e+00  6.3590600000e-01 -1.7568370000e+00  2.5392570000e+00 -3.8129000000e-01 -7.5139400000e-01  3.0355360000e+00
-ENERGY -1.526581838464e+02
-FORCES -2.4140000000e-03 -1.1477500000e-02  1.8875700000e-02  1.6154000000e-03  2.7440000000e-04  2.2127000000e-03  1.1009000000e-03  3.1145000000e-03 -6.9900000000e-03  1.6345000000e-03  8.0998000000e-03 -1.0021300000e-02 -4.2542000000e-03  3.7594000000e-03 -6.9960000000e-04  2.3174000000e-03 -3.7706000000e-03 -3.3775000000e-03
-
-JOB 397
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8256000000e-01 -4.7987900000e-01  5.8870400000e-01  5.0228600000e-01  9.5777000000e-02 -8.0917700000e-01 -1.7961820000e+00  1.9665920000e+00  7.9945700000e-01 -1.5113310000e+00  2.5118920000e+00  1.5327650000e+00 -1.0620760000e+00  1.3726710000e+00  6.4268600000e-01
-ENERGY -1.526608185108e+02
-FORCES  1.2005000000e-03  2.8120000000e-04 -1.1617000000e-03 -2.3289000000e-03  3.0480000000e-03 -3.2552000000e-03 -1.5783000000e-03 -1.2612000000e-03  4.7066000000e-03  8.3147000000e-03 -7.4232000000e-03 -2.0285000000e-03  3.3590000000e-04 -2.7040000000e-03 -2.1902000000e-03 -5.9438000000e-03  8.0592000000e-03  3.9290000000e-03
-
-JOB 398
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5432500000e-01  5.9505700000e-01  3.6605700000e-01  7.3637100000e-01  4.8666000000e-02  6.0960800000e-01  2.2484790000e+00  5.0871000000e-02  1.3766810000e+00  2.7888460000e+00 -6.1227500000e-01  1.8061840000e+00  2.3096960000e+00  8.1683400000e-01  1.9474570000e+00
-ENERGY -1.526580358682e+02
-FORCES  1.3492400000e-02 -3.5450000000e-04  8.9826000000e-03  3.8622000000e-03 -1.0010000000e-03  5.2040000000e-04 -8.2308000000e-03  3.3308000000e-03 -3.0289000000e-03 -5.6859000000e-03 -2.2859000000e-03 -2.5531000000e-03 -1.6014000000e-03  5.0166000000e-03 -1.1073000000e-03 -1.8365000000e-03 -4.7060000000e-03 -2.8137000000e-03
-
-JOB 399
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0486100000e-01  3.3395400000e-01 -3.9611400000e-01 -1.3365900000e-01  1.0705100000e-01  9.4175700000e-01  1.6345770000e+00  1.7995870000e+00 -1.4011380000e+00  2.2169210000e+00  1.3057760000e+00 -1.9784220000e+00  1.2763100000e+00  1.1434410000e+00 -8.0335100000e-01
-ENERGY -1.526618396233e+02
-FORCES -3.9142000000e-03  2.7421000000e-03  1.3780000000e-04  4.4332000000e-03 -1.7464000000e-03  2.9444000000e-03  5.1820000000e-04  1.7910000000e-04 -5.1013000000e-03 -4.1976000000e-03 -9.7507000000e-03  5.3395000000e-03 -2.2052000000e-03  9.0380000000e-04  1.9806000000e-03  5.3655000000e-03  7.6720000000e-03 -5.3011000000e-03
-
-JOB 400
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2780200000e-01 -7.5101600000e-01 -2.7135300000e-01 -2.6871300000e-01  4.1345400000e-01 -8.2041500000e-01 -3.0156940000e+00  3.3985900000e-01  1.3766590000e+00 -3.8660930000e+00  3.0536600000e-01  1.8146800000e+00 -3.2112290000e+00  6.6615600000e-01  4.9829200000e-01
-ENERGY -1.526515643805e+02
-FORCES  8.3580000000e-04 -1.9714000000e-03 -3.7578000000e-03 -2.0805000000e-03  3.2471000000e-03  1.2392000000e-03  2.2580000000e-04 -1.4298000000e-03  3.4242000000e-03 -3.3824000000e-03  1.3083000000e-03 -2.4526000000e-03  4.0524000000e-03 -1.7980000000e-04 -1.6617000000e-03  3.4900000000e-04 -9.7440000000e-04  3.2086000000e-03
-
-JOB 401
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7933600000e-01 -6.7342200000e-01  3.5173000000e-02  8.2034100000e-01 -4.8064800000e-01  1.1068100000e-01 -2.2288360000e+00 -2.0521320000e+00 -2.6912700000e-01 -2.3157340000e+00 -1.5273930000e+00 -1.0649470000e+00 -2.5648440000e+00 -1.4885660000e+00  4.2781300000e-01
-ENERGY -1.526585359563e+02
-FORCES -1.0321000000e-03 -9.0290000000e-03  2.7600000000e-04  1.1762000000e-03  8.6093000000e-03  4.6860000000e-04 -2.7156000000e-03  2.0040000000e-03 -3.8870000000e-04 -6.2176000000e-03  2.1477000000e-03 -2.0943000000e-03  2.7686000000e-03 -2.0112000000e-03  5.8969000000e-03  6.0205000000e-03 -1.7209000000e-03 -4.1585000000e-03
-
-JOB 402
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2166000000e-02 -6.8233200000e-01  6.6626100000e-01  6.9901300000e-01 -1.9010300000e-01 -6.2567800000e-01  2.6514160000e+00 -5.1970500000e-01 -1.3955030000e+00  2.5291240000e+00  8.8049000000e-02 -2.1248260000e+00  3.4101790000e+00 -1.0464150000e+00 -1.6466750000e+00
-ENERGY -1.526593107816e+02
-FORCES  7.9306000000e-03 -5.0103000000e-03 -5.4860000000e-04 -1.3315000000e-03  2.1692000000e-03 -1.4911000000e-03 -7.0982000000e-03  3.9426000000e-03  4.4750000000e-04  4.3271000000e-03 -6.4330000000e-04 -3.1222000000e-03 -1.0189000000e-03 -3.6241000000e-03  4.1795000000e-03 -2.8091000000e-03  3.1659000000e-03  5.3490000000e-04
-
-JOB 403
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5702000000e-01 -6.1450600000e-01 -3.2701500000e-01 -3.3696000000e-02 -9.6614000000e-02  9.5171500000e-01  2.9671400000e-01  2.5949560000e+00 -1.0446080000e+00  6.0923300000e-01  1.9318540000e+00 -4.2909300000e-01 -3.1763000000e-01  2.1269390000e+00 -1.6100930000e+00
-ENERGY -1.526573513313e+02
-FORCES -3.4205000000e-03  4.6670000000e-04 -1.7700000000e-04  2.6940000000e-03  2.9144000000e-03  1.8199000000e-03  5.6230000000e-04  1.3565000000e-03 -4.9055000000e-03 -3.0881000000e-03 -1.3864500000e-02  2.7284000000e-03  2.7802000000e-03  6.0694000000e-03  1.4216000000e-03  4.7220000000e-04  3.0576000000e-03 -8.8730000000e-04
-
-JOB 404
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8986700000e-01  8.0738200000e-01  1.5619500000e-01 -8.9858300000e-01  2.1176700000e-01  2.5285300000e-01  1.8539810000e+00  1.8883640000e+00  7.4496600000e-01  2.0166810000e+00  1.5275000000e+00  1.6164810000e+00  2.1058550000e+00  2.8091240000e+00  8.1561700000e-01
-ENERGY -1.526607219009e+02
-FORCES  5.2873000000e-03  9.7987000000e-03  1.7323000000e-03 -6.1179000000e-03 -7.8061000000e-03  1.3350000000e-04  3.3496000000e-03  3.0550000000e-04 -1.5630000000e-04 -2.8010000000e-04 -7.5680000000e-04  1.6497000000e-03 -1.5765000000e-03  3.1422000000e-03 -4.5253000000e-03 -6.6240000000e-04 -4.6835000000e-03  1.1660000000e-03
-
-JOB 405
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5572900000e-01 -7.2375400000e-01 -4.2979400000e-01 -7.7554900000e-01  1.5007300000e-01 -5.4058600000e-01 -1.6120700000e-01  2.6994570000e+00  5.8082200000e-01  7.4345000000e-02  1.7717070000e+00  5.7579200000e-01 -4.3030300000e-01  2.8738500000e+00  1.4827120000e+00
-ENERGY -1.526612092010e+02
-FORCES -1.1250000000e-04  1.1880000000e-03 -3.2527000000e-03 -3.7120000000e-03  2.7079000000e-03  9.4730000000e-04  4.8852000000e-03 -1.0296000000e-03  3.1741000000e-03  2.7322000000e-03 -9.7729000000e-03  1.2337000000e-03 -4.5657000000e-03  8.5032000000e-03  7.5810000000e-04  7.7280000000e-04 -1.5966000000e-03 -2.8603000000e-03
-
-JOB 406
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7803600000e-01  6.1563600000e-01 -4.5066400000e-01  3.5464000000e-01 -5.5095700000e-01 -6.9778800000e-01  1.2717830000e+00 -2.7997550000e+00 -3.7118800000e-01  7.2696100000e-01 -2.7848630000e+00 -1.1580680000e+00  1.7289860000e+00 -3.6397290000e+00 -4.1171100000e-01
-ENERGY -1.526530930873e+02
-FORCES  1.2484000000e-03 -1.0418000000e-03 -3.3785000000e-03  2.4106000000e-03 -3.2100000000e-03  1.7534000000e-03 -4.1070000000e-03  2.5894000000e-03 -9.5900000000e-05  5.4200000000e-05 -5.4578000000e-03 -1.9370000000e-03  2.7882000000e-03  3.5916000000e-03  3.2906000000e-03 -2.3944000000e-03  3.5286000000e-03  3.6750000000e-04
-
-JOB 407
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8525100000e-01 -4.9632700000e-01 -6.5910700000e-01  6.4754400000e-01  1.9717300000e-01  6.7678700000e-01 -2.3646780000e+00  1.0534990000e+00  1.5202630000e+00 -1.7649970000e+00  7.8541100000e-01  8.2402700000e-01 -1.8126700000e+00  1.1220880000e+00  2.2992460000e+00
-ENERGY -1.526593112473e+02
-FORCES  4.1729000000e-03 -2.1707000000e-03 -1.2031000000e-03 -8.5740000000e-04  2.2705000000e-03  3.6847000000e-03 -3.8017000000e-03 -6.9280000000e-04 -2.6944000000e-03  7.1579000000e-03 -3.2834000000e-03 -3.0697000000e-03 -5.4797000000e-03  3.8963000000e-03  5.5884000000e-03 -1.1920000000e-03 -1.9900000000e-05 -2.3059000000e-03
-
-JOB 408
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1312000000e-01  2.6884800000e-01 -5.7914800000e-01  7.8419800000e-01  4.7742000000e-02 -5.4679600000e-01 -2.2525790000e+00  1.1698350000e+00 -1.0579960000e+00 -2.5290840000e+00  1.0898850000e+00 -1.9708960000e+00 -3.0702250000e+00  1.1960570000e+00 -5.6100600000e-01
-ENERGY -1.526599512163e+02
-FORCES -8.7164000000e-03  5.9326000000e-03 -5.5188000000e-03  8.7978000000e-03 -5.1371000000e-03  1.3081000000e-03 -3.5540000000e-03  3.3330000000e-04  3.8800000000e-04 -1.5051000000e-03 -1.3730000000e-03  3.1367000000e-03  2.0167000000e-03 -1.7150000000e-04  4.8150000000e-03  2.9610000000e-03  4.1580000000e-04 -4.1290000000e-03
-
-JOB 409
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9353900000e-01 -8.1839600000e-01 -4.0036900000e-01 -8.3924100000e-01 -2.1853200000e-01  4.0515400000e-01 -8.4659000000e-02  1.1739480000e+00 -3.0843690000e+00 -4.3896600000e-01  4.5045500000e-01 -2.5674000000e+00 -8.5662000000e-01  1.6308730000e+00 -3.4183260000e+00
-ENERGY -1.526542563775e+02
-FORCES -2.8670000000e-04 -3.9763000000e-03  3.0022000000e-03 -2.7677000000e-03  4.4803000000e-03  5.8800000000e-05  3.5083000000e-03  1.2500000000e-03 -2.9324000000e-03 -4.2638000000e-03 -5.6160000000e-04  4.1347000000e-03  9.3520000000e-04  6.4060000000e-04 -5.5704000000e-03  2.8747000000e-03 -1.8330000000e-03  1.3070000000e-03
-
-JOB 410
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0722600000e-01  6.9328800000e-01  6.5121900000e-01  8.7571100000e-01 -3.7349500000e-01 -9.9314000000e-02 -2.1822100000e+00 -1.5831920000e+00  8.3724000000e-01 -2.4435490000e+00 -1.3232590000e+00 -4.6144000000e-02 -1.3638940000e+00 -1.1119560000e+00  9.9385100000e-01
-ENERGY -1.526588734978e+02
-FORCES  2.7199000000e-03  2.7600000000e-04 -1.7900000000e-05 -1.5889000000e-03 -5.6522000000e-03 -2.1155000000e-03 -4.6101000000e-03  2.1287000000e-03  1.2052000000e-03  9.5245000000e-03  7.6999000000e-03 -7.6996000000e-03 -1.8164000000e-03 -1.9644000000e-03  2.3954000000e-03 -4.2290000000e-03 -2.4879000000e-03  6.2324000000e-03
-
-JOB 411
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8952600000e-01  2.4430000000e-02 -9.3793100000e-01 -1.7812500000e-01  9.1124800000e-01  2.3265900000e-01  5.2137900000e-01  4.6070000000e-02 -2.6638110000e+00  1.7722100000e-01  5.2168400000e-01 -3.4198390000e+00  1.2055460000e+00 -5.1711600000e-01 -3.0257080000e+00
-ENERGY -1.526602770568e+02
-FORCES  2.1756000000e-03  2.8722000000e-03 -1.3718700000e-02 -3.3430000000e-04 -1.1504000000e-03  8.4150000000e-03  1.8550000000e-04 -2.2115000000e-03 -1.3734000000e-03 -1.2297000000e-03 -1.2540000000e-04  3.7133000000e-03  3.0691000000e-03 -2.7746000000e-03  2.4444000000e-03 -3.8662000000e-03  3.3897000000e-03  5.1950000000e-04
-
-JOB 412
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8080400000e-01 -7.9974700000e-01  4.4473200000e-01  1.3592400000e-01 -1.8211200000e-01 -9.2983400000e-01 -1.3424480000e+00  2.7345440000e+00  1.9935800000e-01 -1.2291710000e+00  3.6819250000e+00  1.2274700000e-01 -5.7448000000e-01  2.3650050000e+00 -2.3641500000e-01
-ENERGY -1.526555669263e+02
-FORCES  5.9000000000e-04 -5.8546000000e-03  2.6690000000e-04 -1.1728000000e-03  2.9482000000e-03 -2.5219000000e-03 -2.7780000000e-04  2.6989000000e-03  4.1673000000e-03  4.7438000000e-03 -1.0727000000e-03 -1.0753000000e-03 -1.2450000000e-04 -4.1465000000e-03  3.4800000000e-04 -3.7588000000e-03  5.4267000000e-03 -1.1850000000e-03
-
-JOB 413
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3003000000e-01  3.5950000000e-01  8.7754400000e-01  2.7344400000e-01  7.4981600000e-01 -5.2842800000e-01  3.7064420000e+00  4.4244000000e-02  7.5390000000e-02  3.2642870000e+00 -8.1416000000e-02 -7.6421800000e-01  4.0476800000e+00  9.3766600000e-01  3.5571000000e-02
-ENERGY -1.526537456919e+02
-FORCES  1.3802000000e-03  4.4263000000e-03  3.1167000000e-03 -4.5650000000e-04 -1.1514000000e-03 -3.8429000000e-03 -6.3010000000e-04 -3.2216000000e-03  1.2334000000e-03 -8.8670000000e-04  1.6856000000e-03 -3.7522000000e-03  2.6706000000e-03  1.6822000000e-03  2.9521000000e-03 -2.0774000000e-03 -3.4212000000e-03  2.9290000000e-04
-
-JOB 414
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0024700000e-01  6.0098000000e-02 -3.1965000000e-01  4.7146300000e-01  6.7991200000e-01 -4.8132600000e-01 -1.5509100000e-01 -6.4229200000e-01  2.7295020000e+00  7.2263000000e-02 -4.5782400000e-01  1.8181770000e+00  2.6753100000e-01  5.6726000000e-02  3.2284970000e+00
-ENERGY -1.526611467924e+02
-FORCES -2.6045000000e-03  2.0293000000e-03  2.3770000000e-04  5.1201000000e-03  5.0590000000e-04  6.0920000000e-04 -3.1475000000e-03 -2.7715000000e-03  1.9705000000e-03  2.7465000000e-03  4.7027000000e-03 -1.0326500000e-02 -1.1190000000e-03 -2.7907000000e-03  9.5450000000e-03 -9.9560000000e-04 -1.6757000000e-03 -2.0358000000e-03
-
-JOB 415
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3375300000e-01 -4.6501000000e-01 -8.2589800000e-01 -3.3901500000e-01  8.5681200000e-01 -2.5917800000e-01 -2.9184700000e-01  8.5375300000e-01  2.7472160000e+00  6.3190000000e-03  4.7912000000e-01  1.9183740000e+00 -9.4288100000e-01  1.5082970000e+00  2.4943170000e+00
-ENERGY -1.526583194371e+02
-FORCES -1.8380000000e-04 -4.4720000000e-04 -3.4015000000e-03 -1.4556000000e-03  3.4030000000e-03  2.7454000000e-03  1.5115000000e-03 -4.0659000000e-03  3.3055000000e-03 -5.5960000000e-04 -3.0952000000e-03 -8.3638000000e-03 -1.7300000000e-03  5.8359000000e-03  5.9896000000e-03  2.4176000000e-03 -1.6306000000e-03 -2.7520000000e-04
-
-JOB 416
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1505400000e-01 -4.5454000000e-02  4.9985300000e-01  2.5401300000e-01 -2.2736700000e-01 -8.9443500000e-01 -1.2603400000e+00  2.2968820000e+00 -3.0895600000e-01 -8.3568200000e-01  1.4392190000e+00 -3.2659200000e-01 -5.4132100000e-01  2.9183890000e+00 -1.9505400000e-01
-ENERGY -1.526568601588e+02
-FORCES -3.0640000000e-04  7.6318000000e-03  1.0727000000e-03 -3.5684000000e-03 -2.0880000000e-04 -3.9440000000e-03 -2.1478000000e-03  4.6886000000e-03  5.2545000000e-03  1.1084400000e-02 -1.5496100000e-02  4.3817000000e-03 -3.8663000000e-03  5.6465000000e-03 -6.6139000000e-03 -1.1955000000e-03 -2.2619000000e-03 -1.5100000000e-04
-
-JOB 417
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1649200000e-01 -1.5139500000e-01 -2.3098300000e-01 -3.7291000000e-02  5.5946800000e-01  7.7578200000e-01 -3.2986690000e+00 -1.5665460000e+00  9.9163400000e-01 -3.2689510000e+00 -1.5911010000e+00  1.9480580000e+00 -3.7656530000e+00 -2.3650180000e+00  7.4546200000e-01
-ENERGY -1.526568816285e+02
-FORCES -5.5760000000e-03  6.1480000000e-04  2.3430000000e-03  5.7324000000e-03  2.1451000000e-03 -2.9440000000e-04  6.5610000000e-04 -1.8961000000e-03 -2.6449000000e-03 -2.2692000000e-03 -4.6074000000e-03  3.2885000000e-03 -2.8750000000e-04  3.6190000000e-04 -3.9927000000e-03  1.7441000000e-03  3.3817000000e-03  1.3005000000e-03
-
-JOB 418
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1132900000e-01 -1.2663500000e-01 -9.2495200000e-01  4.5882400000e-01 -8.0100400000e-01  2.5319000000e-01 -1.1579900000e-01 -7.8786900000e-01 -2.7454490000e+00  8.0459200000e-01 -1.0182230000e+00 -2.8721410000e+00 -3.0318000000e-01 -1.5703200000e-01 -3.4405500000e+00
-ENERGY -1.526605284335e+02
-FORCES -8.9190000000e-04 -6.0730000000e-03 -1.0778600000e-02  1.0459000000e-03  3.8548000000e-03  9.0403000000e-03 -4.0780000000e-04  2.4532000000e-03 -8.4680000000e-04  3.5659000000e-03  1.5159000000e-03 -2.4405000000e-03 -4.8525000000e-03  1.2796000000e-03  1.1876000000e-03  1.5403000000e-03 -3.0305000000e-03  3.8380000000e-03
-
-JOB 419
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9117200000e-01  8.7317200000e-01 -2.8066000000e-02 -1.9278400000e-01 -3.2113400000e-01  8.8087400000e-01 -5.8875300000e-01  2.5447530000e+00 -1.0870880000e+00  4.8841000000e-02  3.1724110000e+00 -7.4686400000e-01 -3.1354700000e-01  2.3889150000e+00 -1.9905300000e+00
-ENERGY -1.526610045668e+02
-FORCES -3.7626000000e-03  8.0207000000e-03 -1.7138000000e-03  2.8213000000e-03 -9.0353000000e-03  5.5778000000e-03  2.5470000000e-04  2.9957000000e-03 -2.8214000000e-03  4.9190000000e-03 -5.9070000000e-04 -4.2407000000e-03 -3.0248000000e-03 -3.6449000000e-03 -1.0919000000e-03 -1.2075000000e-03  2.2545000000e-03  4.2900000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3336200000e-01  6.1908900000e-01 -6.9174000000e-01  9.5494600000e-01 -5.3538000000e-02 -3.7987000000e-02  2.6545100000e+00 -1.5560900000e-01  4.5700000000e-04  2.8340690000e+00 -1.0836290000e+00 -1.5043900000e-01  3.2266360000e+00  3.0270500000e-01 -6.1505300000e-01
-ENERGY -1.526589508843e+02
-FORCES  1.7820500000e-02  1.6861000000e-03 -1.2355000000e-03  1.9219000000e-03 -1.4586000000e-03  1.5283000000e-03 -9.4515000000e-03 -2.8940000000e-03 -3.9910000000e-04 -5.3828000000e-03  2.3900000000e-05 -2.6028000000e-03 -2.0052000000e-03  5.9592000000e-03 -5.0200000000e-05 -2.9029000000e-03 -3.3165000000e-03  2.7593000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1535600000e-01  8.3651400000e-01  4.1242900000e-01  5.9783500000e-01 -6.1192000000e-02 -7.4503700000e-01 -2.6667650000e+00 -5.0943000000e-02 -1.6355100000e-01 -2.8973660000e+00  6.9852900000e-01  3.8539900000e-01 -1.7097200000e+00 -6.7186000000e-02 -1.5780700000e-01
-ENERGY -1.526586434008e+02
-FORCES -4.9831000000e-03  2.1096000000e-03 -2.3896000000e-03 -2.3180000000e-03 -4.2006000000e-03 -2.8825000000e-03 -2.6360000000e-03  1.3183000000e-03  4.5418000000e-03  1.7214000000e-02  8.6920000000e-04  1.8629000000e-03  2.2672000000e-03 -1.5483000000e-03 -1.2718000000e-03 -9.5441000000e-03  1.4517000000e-03  1.3930000000e-04
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2129500000e-01  1.1850700000e-01 -8.5129200000e-01 -9.3105100000e-01 -8.9501000000e-02 -2.0338300000e-01  3.3606810000e+00 -1.0691400000e-01 -1.3283000000e-01  3.0940040000e+00 -9.6941300000e-01  1.8530700000e-01  2.9816390000e+00 -4.6828000000e-02 -1.0097270000e+00
-ENERGY -1.526528814546e+02
-FORCES -2.3838000000e-03  1.5289000000e-03 -4.0104000000e-03 -8.8930000000e-04 -1.7269000000e-03  2.6135000000e-03  4.3675000000e-03  3.5300000000e-04  1.0312000000e-03 -3.6241000000e-03 -3.7180000000e-03 -4.5490000000e-04  2.5294000000e-03  3.2782000000e-03 -2.1508000000e-03  3.0000000000e-07  2.8480000000e-04  2.9715000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4174600000e-01  1.2645600000e-01  1.1556200000e-01 -3.3755700000e-01 -1.1452700000e-01  8.8835300000e-01 -4.0314200000e-01  3.0979330000e+00  1.3899330000e+00 -4.9040000000e-02  2.3592620000e+00  1.8851190000e+00  1.4656900000e-01  3.1482060000e+00  6.0793500000e-01
-ENERGY -1.526529707820e+02
-FORCES  1.0119000000e-03 -1.1719000000e-03  3.6706000000e-03 -4.3910000000e-03  1.0638000000e-03  3.0000000000e-07  2.6073000000e-03  1.2325000000e-03 -3.2036000000e-03  3.2036000000e-03 -4.2934000000e-03 -3.7018000000e-03 -1.2402000000e-03  1.9728000000e-03 -7.7880000000e-04 -1.1917000000e-03  1.1962000000e-03  4.0133000000e-03
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5872800000e-01  8.6329700000e-01 -3.2250600000e-01  9.5382600000e-01 -9.9950000000e-03 -7.9671000000e-02 -1.6936820000e+00 -1.8319860000e+00 -1.5038740000e+00 -1.0467030000e+00 -1.4677560000e+00 -8.9973300000e-01 -2.5165190000e+00 -1.4094190000e+00 -1.2576880000e+00
-ENERGY -1.526607289854e+02
-FORCES  1.9730000000e-03  3.8229000000e-03 -3.1190000000e-03  1.5027000000e-03 -3.9304000000e-03  2.0329000000e-03 -4.7564000000e-03  3.7670000000e-04  3.4900000000e-05  3.9022000000e-03  7.0937000000e-03  7.3309000000e-03 -4.9049000000e-03 -6.6092000000e-03 -4.9839000000e-03  2.2835000000e-03 -7.5370000000e-04 -1.2957000000e-03
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3115900000e-01  2.1915700000e-01  3.3830000000e-02  2.2969300000e-01  7.0771000000e-02 -9.2653400000e-01  1.7045700000e+00 -1.8737100000e+00  1.3701380000e+00  9.6658100000e-01 -1.6116910000e+00  8.1973000000e-01  1.5939180000e+00 -1.3691990000e+00  2.1760260000e+00
-ENERGY -1.526598516368e+02
-FORCES -9.3780000000e-04  2.0030000000e-03 -3.1837000000e-03  4.8170000000e-03 -1.0505000000e-03 -1.9690000000e-04 -2.0195000000e-03 -9.8940000000e-04  4.7130000000e-03 -7.3711000000e-03  9.2203000000e-03 -2.0665000000e-03  4.5940000000e-03 -6.7499000000e-03  1.9407000000e-03  9.1730000000e-04 -2.4335000000e-03 -1.2065000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1388000000e-02 -4.0916100000e-01  8.6477400000e-01 -8.0937200000e-01 -2.7999900000e-01 -4.2749300000e-01  1.7251770000e+00 -1.9037420000e+00 -1.6322180000e+00  1.2072070000e+00 -1.1219340000e+00 -1.4406050000e+00  1.3527410000e+00 -2.5823220000e+00 -1.0691440000e+00
-ENERGY -1.526582609223e+02
-FORCES -3.5326000000e-03 -1.5842000000e-03  4.7668000000e-03 -4.7780000000e-04  1.3727000000e-03 -4.5612000000e-03  5.9634000000e-03 -2.1880000000e-04  9.6280000000e-04 -5.2034000000e-03  4.6875000000e-03  6.8548000000e-03  2.2203000000e-03 -5.6381000000e-03 -6.1553000000e-03  1.0301000000e-03  1.3809000000e-03 -1.8678000000e-03
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0790100000e-01 -9.4874600000e-01 -6.6861000000e-02  6.3748700000e-01  3.5815900000e-01 -6.1770900000e-01 -1.4099560000e+00 -1.5269970000e+00  2.7467160000e+00 -1.5155280000e+00 -2.4153300000e+00  2.4062010000e+00 -4.7936800000e-01 -1.4611200000e+00  2.9609520000e+00
-ENERGY -1.526528730143e+02
-FORCES  1.8610000000e-03 -2.6773000000e-03 -3.0475000000e-03  5.9330000000e-04  3.5719000000e-03  2.0330000000e-04 -2.8284000000e-03 -1.4862000000e-03  3.0586000000e-03  3.3453000000e-03 -1.6667000000e-03 -1.0340000000e-04  9.3330000000e-04  3.8012000000e-03  5.6900000000e-04 -3.9045000000e-03 -1.5428000000e-03 -6.8000000000e-04
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4701200000e-01 -5.1108500000e-01 -3.1144300000e-01  1.7357300000e-01 -3.3929700000e-01  8.7805600000e-01  1.1855000000e-01  2.8619880000e+00 -1.2649100000e-01  8.2086500000e-01  3.0900930000e+00 -7.3555100000e-01  6.0585000000e-02  1.9077050000e+00 -1.7356500000e-01
-ENERGY -1.526622768160e+02
-FORCES -2.1693000000e-03 -1.8582000000e-03  2.7618000000e-03  3.8223000000e-03  1.9370000000e-03  2.2200000000e-03 -1.4878000000e-03  8.0270000000e-04 -4.6867000000e-03  1.3893000000e-03 -1.0381400000e-02 -1.6066000000e-03 -2.0467000000e-03 -1.1767000000e-03  1.7496000000e-03  4.9230000000e-04  1.0676600000e-02 -4.3810000000e-04
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1687900000e-01  8.1508000000e-01  4.8807300000e-01  9.4831300000e-01 -8.8996000000e-02 -9.4942000000e-02 -1.5534800000e+00  1.6868750000e+00  1.3256700000e+00 -2.3229360000e+00  1.2810350000e+00  9.2634100000e-01 -1.5384830000e+00  1.3449050000e+00  2.2195730000e+00
-ENERGY -1.526594056973e+02
-FORCES -6.2303000000e-03  9.5494000000e-03  5.6580000000e-03  7.0881000000e-03 -6.8911000000e-03 -3.6429000000e-03 -3.6474000000e-03  2.5756000000e-03  2.4948000000e-03 -1.2595000000e-03 -9.3446000000e-03 -3.0809000000e-03  3.0080000000e-03  2.8178000000e-03  3.2419000000e-03  1.0412000000e-03  1.2930000000e-03 -4.6710000000e-03
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0347600000e-01  4.6147300000e-01 -4.5650400000e-01  2.0654100000e-01  5.5846000000e-01  7.4946400000e-01 -1.8129840000e+00  1.4968330000e+00 -1.4235230000e+00 -1.4093830000e+00  2.3034930000e+00 -1.1031530000e+00 -1.4725430000e+00  1.3947040000e+00 -2.3122870000e+00
-ENERGY -1.526588976767e+02
-FORCES -1.1554200000e-02  7.8708000000e-03 -5.4374000000e-03  9.6690000000e-03 -2.8324000000e-03  4.8731000000e-03 -1.3407000000e-03 -9.7300000000e-05 -3.3199000000e-03  4.8068000000e-03  1.4038000000e-03 -2.1638000000e-03 -3.9610000000e-04 -6.7406000000e-03  1.6630000000e-04 -1.1847000000e-03  3.9580000000e-04  5.8817000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1280300000e-01  7.3110400000e-01  5.3279800000e-01 -3.5154900000e-01 -7.7889000000e-01  4.3124900000e-01 -1.5043180000e+00 -1.8038450000e+00  1.4202800000e+00 -1.5248120000e+00 -1.5184080000e+00  2.3337010000e+00 -2.2214950000e+00 -1.3262110000e+00  1.0034420000e+00
-ENERGY -1.526579480692e+02
-FORCES -6.6218000000e-03 -9.2773000000e-03  1.0396400000e-02 -2.8690000000e-04 -2.3530000000e-03 -1.3215000000e-03  1.4944000000e-03  7.2724000000e-03 -6.3437000000e-03 -1.3054000000e-03  4.9957000000e-03  7.1700000000e-04 -2.0400000000e-05 -1.0900000000e-05 -5.5564000000e-03  6.7402000000e-03 -6.2690000000e-04  2.1082000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9521800000e-01 -3.0568800000e-01  1.4619100000e-01  3.5336700000e-01  1.3698100000e-01  8.7897600000e-01 -2.8775250000e+00  1.4774100000e-01  4.6659000000e-02 -3.3438930000e+00  8.0909100000e-01 -4.6456400000e-01 -3.1396270000e+00 -6.8607800000e-01 -3.4357200000e-01
-ENERGY -1.526584595579e+02
-FORCES -9.2687000000e-03  1.7757000000e-03  3.5745000000e-03  7.6665000000e-03 -5.0320000000e-03 -6.1030000000e-04 -1.4232000000e-03 -3.8490000000e-04 -2.8141000000e-03 -1.3801000000e-03  3.6609000000e-03 -4.8252000000e-03  3.0480000000e-04 -3.9035000000e-03  2.4725000000e-03  4.1007000000e-03  3.8839000000e-03  2.2025000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3147500000e-01  1.9210700000e-01 -1.0807600000e-01  3.6981100000e-01  1.0411800000e-01 -8.7671600000e-01  1.8453520000e+00 -1.6866710000e+00  1.4729040000e+00  1.0073110000e+00 -1.4347840000e+00  1.0849960000e+00  1.7288460000e+00 -2.6037030000e+00  1.7213220000e+00
-ENERGY -1.526605521405e+02
-FORCES -7.2240000000e-04  2.6441000000e-03 -4.0693000000e-03  4.4511000000e-03 -1.0147000000e-03 -6.0500000000e-05 -3.0256000000e-03 -4.8910000000e-04  3.9056000000e-03 -6.4717000000e-03  2.2374000000e-03 -2.7109000000e-03  6.4289000000e-03 -6.7863000000e-03  4.2885000000e-03 -6.6020000000e-04  3.4087000000e-03 -1.3534000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1500000000e-02 -9.5146400000e-01 -9.1077000000e-02  2.2899400000e-01  3.3674900000e-01 -8.6625300000e-01 -1.3954480000e+00 -1.6595460000e+00  3.1160700000e+00 -1.9031110000e+00 -2.3424940000e+00  3.5543540000e+00 -1.6500160000e+00 -1.7246440000e+00  2.1956410000e+00
-ENERGY -1.526536480053e+02
-FORCES  2.4795000000e-03 -1.8391000000e-03 -4.1661000000e-03 -1.7678000000e-03  3.7504000000e-03  6.1340000000e-04 -9.0500000000e-04 -1.4353000000e-03  3.7337000000e-03 -3.5561000000e-03 -1.9193000000e-03 -2.0676000000e-03  2.2288000000e-03  2.8690000000e-03 -1.8398000000e-03  1.5206000000e-03 -1.4257000000e-03  3.7264000000e-03
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8075100000e-01 -9.3801200000e-01  6.0783000000e-02 -1.9234000000e-02  3.0733100000e-01  9.0631600000e-01 -1.3305000000e+00 -1.5269310000e+00  2.9399150000e+00 -1.6529940000e+00 -7.7763500000e-01  2.4391310000e+00 -1.8568230000e+00 -1.5256900000e+00  3.7394240000e+00
-ENERGY -1.526554975222e+02
-FORCES  1.6221000000e-03 -3.8674000000e-03  3.9292000000e-03 -1.1980000000e-04  5.0229000000e-03 -1.0230000000e-03 -2.3881000000e-03 -5.5450000000e-04 -3.8210000000e-03 -4.9568000000e-03  2.1321000000e-03  2.8217000000e-03  3.6337000000e-03 -2.8988000000e-03  1.6502000000e-03  2.2090000000e-03  1.6580000000e-04 -3.5571000000e-03
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4031200000e-01  4.4725000000e-01  4.1004600000e-01  1.2271400000e-01 -9.2241400000e-01  2.2433500000e-01 -1.6731950000e+00  1.7896420000e+00  1.3317770000e+00 -1.1750940000e+00  1.0388800000e+00  1.0085370000e+00 -1.2704490000e+00  2.5462710000e+00  9.0570200000e-01
-ENERGY -1.526589208152e+02
-FORCES  2.3058000000e-03 -1.1741000000e-03  1.7631000000e-03 -6.7735000000e-03 -1.0767000000e-03 -8.6930000000e-04 -4.0730000000e-04  5.3919000000e-03 -5.0120000000e-04  6.8232000000e-03 -7.5073000000e-03 -9.3882000000e-03 -1.9360000000e-03  6.6787000000e-03  7.1413000000e-03 -1.2200000000e-05 -2.3125000000e-03  1.8542000000e-03
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3800400000e-01 -2.3817000000e-02  1.8924400000e-01  4.1958000000e-01 -1.5405100000e-01  8.4643500000e-01 -1.3668230000e+00  1.3754060000e+00  2.6865380000e+00 -5.4505600000e-01  1.7393280000e+00  2.3571600000e+00 -1.2031240000e+00  4.3464900000e-01  2.7529550000e+00
-ENERGY -1.526535977848e+02
-FORCES -3.6515000000e-03 -4.2560000000e-04  3.6005000000e-03  4.9914000000e-03 -1.2592000000e-03 -7.3110000000e-04 -2.2075000000e-03  1.7602000000e-03 -1.9645000000e-03  4.5856000000e-03 -7.4520000000e-04 -7.3000000000e-04 -3.5186000000e-03 -2.7492000000e-03  2.2559000000e-03 -1.9940000000e-04  3.4190000000e-03 -2.4309000000e-03
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7099400000e-01  1.2211300000e-01 -5.5397600000e-01 -3.2890000000e-02 -9.4298400000e-01  1.6103000000e-01  1.3598540000e+00 -1.5315170000e+00  2.6854360000e+00  1.5780320000e+00 -2.2852790000e+00  2.1372820000e+00  4.2135800000e-01 -1.4002370000e+00  2.5504430000e+00
-ENERGY -1.526526805051e+02
-FORCES  5.5489000000e-03 -2.6579000000e-03 -1.1288000000e-03 -3.7947000000e-03 -6.2260000000e-04  1.4406000000e-03 -8.9680000000e-04  2.8215000000e-03  9.3920000000e-04 -3.2969000000e-03 -6.4220000000e-04 -1.9901000000e-03 -1.4800000000e-03  3.7240000000e-03  1.0818000000e-03  3.9196000000e-03 -2.6228000000e-03 -3.4280000000e-04
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3515500000e-01 -7.0205100000e-01 -5.5769900000e-01  9.5039600000e-01 -1.1256700000e-01 -1.7547000000e-02  1.1491570000e+00 -1.5440010000e+00  3.0688300000e+00  4.4487100000e-01 -1.7168580000e+00  2.4440640000e+00  8.5969100000e-01 -1.9637090000e+00  3.8789450000e+00
-ENERGY -1.526560650425e+02
-FORCES  3.5846000000e-03 -1.1217000000e-03 -3.7031000000e-03  1.2882000000e-03  2.3591000000e-03  3.4612000000e-03 -4.9477000000e-03 -1.0090000000e-04 -4.3480000000e-04 -5.0071000000e-03 -1.1956000000e-03  7.1510000000e-04  4.0865000000e-03 -1.5028000000e-03  3.2878000000e-03  9.9540000000e-04  1.5618000000e-03 -3.3261000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8305800000e-01 -7.5207300000e-01  5.6312400000e-01 -9.0193800000e-01 -1.3259600000e-01 -2.9181900000e-01 -1.5465930000e+00  1.0849260000e+00  2.4977550000e+00 -7.5643300000e-01  1.3821820000e+00  2.9488830000e+00 -2.2664880000e+00  1.4829950000e+00  2.9871680000e+00
-ENERGY -1.526544480157e+02
-FORCES -6.2873000000e-03 -2.0505000000e-03  4.1022000000e-03  6.7890000000e-04  2.4310000000e-03 -2.5425000000e-03  4.0224000000e-03 -5.9750000000e-04 -1.2221000000e-03  2.5415000000e-03  3.7120000000e-03  2.9620000000e-03 -3.9173000000e-03 -1.6370000000e-03 -4.5120000000e-04  2.9618000000e-03 -1.8580000000e-03 -2.8485000000e-03
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4834300000e-01  3.6829900000e-01 -6.0020000000e-01  1.6189000000e-01  4.4603700000e-01  8.3130900000e-01  1.4305440000e+00  1.7029030000e+00 -1.7038220000e+00  2.3729570000e+00  1.8704500000e+00 -1.7081510000e+00  1.1819370000e+00  1.7063230000e+00 -2.6281670000e+00
-ENERGY -1.526604481277e+02
-FORCES  6.8327000000e-03  9.5838000000e-03 -5.1191000000e-03 -3.8368000000e-03 -7.0260000000e-03  4.9811000000e-03 -1.1680000000e-04 -1.5498000000e-03 -2.0205000000e-03 -3.1610000000e-04 -2.8100000000e-05 -2.4603000000e-03 -5.0145000000e-03 -1.0045000000e-03  2.1300000000e-05  2.4515000000e-03  2.4600000000e-05  4.5975000000e-03
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9679400000e-01  8.3833200000e-01 -4.1797600000e-01  3.6755500000e-01  7.8611000000e-02  8.8031600000e-01 -2.5684230000e+00  1.9807700000e-01  3.5719000000e-02 -3.1128990000e+00 -3.4020900000e-01 -5.3875900000e-01 -1.6707640000e+00 -6.0934000000e-02 -1.7249800000e-01
-ENERGY -1.526584334974e+02
-FORCES -1.1188600000e-02  3.9401000000e-03  4.6379000000e-03 -2.2333000000e-03 -4.7969000000e-03  2.4732000000e-03 -3.9420000000e-04  7.1460000000e-04 -5.1039000000e-03  1.8723800000e-02 -3.1399000000e-03  4.3150000000e-04  4.7344000000e-03  7.7670000000e-04  8.4040000000e-04 -9.6422000000e-03  2.5055000000e-03 -3.2791000000e-03
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5752700000e-01 -5.5039400000e-01  6.9675800000e-01  9.4732500000e-01 -1.2408500000e-01  5.8389000000e-02  2.8566160000e+00 -8.0917000000e-02  3.5851400000e-01  3.3032980000e+00 -8.4436500000e-01  7.2437400000e-01  3.1138730000e+00  6.4368900000e-01  9.2859900000e-01
-ENERGY -1.526613263566e+02
-FORCES  1.0144800000e-02 -2.3751000000e-03  2.7407000000e-03  1.6165000000e-03  1.5017000000e-03 -1.8197000000e-03 -1.0642000000e-02  4.3460000000e-04 -8.9600000000e-04  2.2602000000e-03  8.4790000000e-04  3.3036000000e-03 -2.5092000000e-03  4.1311000000e-03 -9.7420000000e-04 -8.7030000000e-04 -4.5402000000e-03 -2.3544000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3540100000e-01 -5.6385700000e-01 -6.3931400000e-01 -5.6187400000e-01 -3.6402000000e-02  7.7408300000e-01  2.8565690000e+00  4.5343000000e-02  1.4386200000e-01  3.2907910000e+00 -5.7695200000e-01 -4.3960400000e-01  1.9241690000e+00 -1.5134700000e-01  5.3447000000e-02
-ENERGY -1.526607550829e+02
-FORCES -3.1498000000e-03 -7.4740000000e-04  1.7672000000e-03  2.7528000000e-03  2.2460000000e-03  3.5663000000e-03  1.7851000000e-03 -3.1610000000e-04 -4.6280000000e-03 -9.5367000000e-03 -1.3820000000e-03 -1.7162000000e-03 -2.6512000000e-03  1.6167000000e-03  1.3924000000e-03  1.0799800000e-02 -1.4172000000e-03 -3.8170000000e-04
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3557300000e-01 -2.7702000000e-01 -3.7591200000e-01  1.3901200000e-01  9.1450100000e-01  2.4616200000e-01 -1.6984730000e+00 -1.6443200000e+00 -1.1318320000e+00 -1.3767610000e+00 -2.5225220000e+00 -9.2812700000e-01 -1.1603280000e+00 -1.0613810000e+00 -5.9628200000e-01
-ENERGY -1.526581085894e+02
-FORCES -6.0737000000e-03 -3.5772000000e-03 -5.9100000000e-03 -4.4299000000e-03  1.4420000000e-03  2.6673000000e-03  1.7732000000e-03 -4.6161000000e-03 -1.7680000000e-03  9.5202000000e-03  1.0392800000e-02  8.9404000000e-03  1.1366000000e-03  3.5341000000e-03 -3.0590000000e-04 -1.9262000000e-03 -7.1756000000e-03 -3.6238000000e-03
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7371000000e-02 -4.8836600000e-01  8.2306100000e-01 -6.7278600000e-01 -4.1517800000e-01 -5.3964700000e-01  1.6712890000e+00 -1.4508050000e+00 -1.2201500000e+00  1.2896890000e+00 -7.2503900000e-01 -7.2631100000e-01  1.2822630000e+00 -2.2351420000e+00 -8.3323000000e-01
-ENERGY -1.526519541938e+02
-FORCES  7.4959000000e-03 -1.3040800000e-02 -8.8666000000e-03  2.2067000000e-03  1.4110000000e-04 -6.7807000000e-03  4.9401000000e-03  6.2670000000e-04  3.8456000000e-03 -1.7195200000e-02  1.5593700000e-02  1.4721900000e-02  3.4607000000e-03 -5.9730000000e-03 -2.6505000000e-03 -9.0820000000e-04  2.6523000000e-03 -2.6970000000e-04
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3106100000e-01  7.3469700000e-01 -5.1657600000e-01 -4.2615200000e-01 -7.6975100000e-01 -3.7697400000e-01  2.9210690000e+00  2.5163000000e-01 -1.7608300000e-01  3.3137920000e+00  1.0710570000e+00 -4.7698100000e-01  2.0512620000e+00  5.0239700000e-01  1.3501500000e-01
-ENERGY -1.526585230791e+02
-FORCES -1.8100000000e-03 -3.7342000000e-03 -5.0427000000e-03  3.0827000000e-03 -2.7829000000e-03  2.6455000000e-03  1.0490000000e-04  4.2084000000e-03  1.5113000000e-03 -7.2250000000e-03  1.2102000000e-03  1.1119000000e-03 -2.8538000000e-03 -2.5634000000e-03  7.2020000000e-04  8.7013000000e-03  3.6619000000e-03 -9.4620000000e-04
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4813700000e-01 -7.6013400000e-01  4.6607700000e-01 -9.1725800000e-01  4.7346000000e-02  2.6949500000e-01  1.5653990000e+00  1.8572090000e+00  1.1038250000e+00  1.0064060000e+00  1.2903250000e+00  5.7241000000e-01  1.5717420000e+00  1.4459390000e+00  1.9681450000e+00
-ENERGY -1.526579738927e+02
-FORCES  2.2198000000e-03  2.9762000000e-03  5.6965000000e-03 -1.9658000000e-03  5.6261000000e-03 -8.8010000000e-04  5.5584000000e-03 -8.7110000000e-04 -3.6110000000e-04 -1.1687800000e-02 -1.3196800000e-02 -6.3776000000e-03  6.1809000000e-03  5.4918000000e-03  4.3259000000e-03 -3.0550000000e-04 -2.6100000000e-05 -2.4036000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6382000000e-01 -5.2837800000e-01 -4.4316200000e-01 -7.2180000000e-02 -2.4767700000e-01  9.2178000000e-01  1.7373210000e+00 -1.5870470000e+00 -1.5405230000e+00  1.3991670000e+00 -8.5880300000e-01 -1.0194240000e+00  2.6814240000e+00 -1.4346910000e+00 -1.5816200000e+00
-ENERGY -1.526615166772e+02
-FORCES -3.2674000000e-03 -4.9443000000e-03  1.6552000000e-03  4.8035000000e-03  2.7354000000e-03  2.5275000000e-03  3.3200000000e-05  1.0818000000e-03 -4.5248000000e-03 -3.0093000000e-03  7.6193000000e-03  5.8980000000e-03  4.7514000000e-03 -6.9914000000e-03 -6.9677000000e-03 -3.3115000000e-03  4.9920000000e-04  1.4119000000e-03
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2585000000e-01  1.6240600000e-01 -7.0581000000e-01 -1.4772000000e-01 -9.4545100000e-01 -2.3068000000e-02 -1.7308000000e-02 -2.7146040000e+00  2.3630000000e-02  4.5796500000e-01 -3.1970130000e+00 -6.5285300000e-01  2.1117000000e-02 -3.2811430000e+00  7.9420600000e-01
-ENERGY -1.526594579559e+02
-FORCES  1.6059000000e-03 -1.4869600000e-02 -1.2222000000e-03 -1.5764000000e-03 -1.1442000000e-03  1.5125000000e-03 -8.9880000000e-04  8.4933000000e-03 -8.0870000000e-04  2.3013000000e-03  4.2492000000e-03  1.4435000000e-03 -1.8560000000e-03  1.9732000000e-03  3.9228000000e-03  4.2400000000e-04  1.2981000000e-03 -4.8479000000e-03
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5392700000e-01 -4.0502000000e-01 -4.2870000000e-01  7.5976100000e-01 -3.8201000000e-01 -4.3939000000e-01  1.7723930000e+00 -1.7658530000e+00 -1.2913190000e+00  2.6883720000e+00 -2.0411920000e+00 -1.3287610000e+00  1.4576240000e+00 -1.8563970000e+00 -2.1907380000e+00
-ENERGY -1.526595447571e+02
-FORCES  6.0618000000e-03 -9.2107000000e-03 -5.3326000000e-03  1.9380000000e-03  1.4970000000e-03  4.8160000000e-04 -5.7950000000e-03  6.3742000000e-03  2.0841000000e-03  1.3340000000e-03 -4.1530000000e-04 -1.2566000000e-03 -4.7315000000e-03  7.9660000000e-04 -9.6810000000e-04  1.1927000000e-03  9.5810000000e-04  4.9916000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8645700000e-01 -1.0847400000e-01  6.5821200000e-01  2.1354500000e-01 -6.4163200000e-01 -6.7745000000e-01 -1.5136650000e+00 -1.0199500000e-01  2.1758630000e+00 -1.0387020000e+00 -7.6002200000e-01  2.6834470000e+00 -1.2304320000e+00 -2.4506600000e-01  1.2727890000e+00
-ENERGY -1.526569056352e+02
-FORCES  7.9140000000e-04 -1.7150000000e-04  5.5148000000e-03 -5.6523000000e-03 -2.1254000000e-03 -2.8586000000e-03 -1.1466000000e-03  2.6845000000e-03  5.1485000000e-03  7.2585000000e-03 -1.7585000000e-03 -1.3954700000e-02  6.3410000000e-04  2.6080000000e-03 -2.8272000000e-03 -1.8852000000e-03 -1.2372000000e-03  8.9772000000e-03
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7892600000e-01 -5.2347600000e-01 -4.2575100000e-01  7.7015000000e-01 -1.0579900000e-01 -5.5848600000e-01  1.2788790000e+00  1.7165990000e+00  2.7653470000e+00  1.3818350000e+00  2.5628550000e+00  2.3300500000e+00  3.3185800000e-01  1.5971890000e+00  2.8369360000e+00
-ENERGY -1.526547388336e+02
-FORCES  2.0083000000e-03 -3.0322000000e-03 -3.9983000000e-03  2.6962000000e-03  2.3971000000e-03  2.2025000000e-03 -3.7594000000e-03  4.2780000000e-04  1.4667000000e-03 -4.9228000000e-03  1.4046000000e-03 -3.4518000000e-03  1.9400000000e-04 -2.8813000000e-03  1.9514000000e-03  3.7837000000e-03  1.6840000000e-03  1.8296000000e-03
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1775500000e-01  7.6914300000e-01 -4.7295200000e-01  4.9626300000e-01 -3.7900000000e-04  8.1850800000e-01 -2.7159540000e+00 -2.0794600000e-01 -2.5023700000e-01 -2.9759840000e+00  7.0750600000e-01 -3.5301600000e-01 -1.7589790000e+00 -1.8741600000e-01 -2.5346400000e-01
-ENERGY -1.526596197789e+02
-FORCES -2.9094000000e-03  1.2087000000e-03  2.8802000000e-03 -2.7538000000e-03 -3.4206000000e-03  3.1757000000e-03 -9.9650000000e-04  1.2719000000e-03 -4.8832000000e-03  1.4011600000e-02  2.7668000000e-03  2.0362000000e-03  1.7202000000e-03 -2.1716000000e-03  2.4400000000e-05 -9.0722000000e-03  3.4480000000e-04 -3.2332000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2593300000e-01 -4.0696700000e-01  8.5717600000e-01 -7.5692900000e-01 -2.8248700000e-01 -5.1331400000e-01 -7.9120000000e-03  2.5588130000e+00  9.2456000000e-02  7.1972100000e-01  2.9021110000e+00 -4.2612600000e-01  1.5148300000e-01  1.6159320000e+00  1.3489400000e-01
-ENERGY -1.526579616379e+02
-FORCES -4.3244000000e-03  1.3299100000e-02 -4.2790000000e-04 -1.9010000000e-04  3.2740000000e-03 -4.9191000000e-03  4.0591000000e-03 -5.9200000000e-05  3.7861000000e-03  1.5534000000e-03 -2.2258500000e-02 -1.3886000000e-03 -1.7294000000e-03 -3.1080000000e-03  8.9490000000e-04  6.3150000000e-04  8.8527000000e-03  2.0546000000e-03
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9383200000e-01  3.1525700000e-01 -4.3205900000e-01 -7.0570100000e-01  5.1833200000e-01 -3.8671700000e-01  1.2984000000e+00 -1.5090130000e+00 -3.2176130000e+00  1.8324030000e+00 -1.4452840000e+00 -2.4257730000e+00  1.5729090000e+00 -7.6437700000e-01 -3.7527710000e+00
-ENERGY -1.526532521801e+02
-FORCES -9.1280000000e-04  3.1368000000e-03 -4.5125000000e-03 -1.9967000000e-03 -1.7913000000e-03  1.7914000000e-03  2.9646000000e-03 -1.5545000000e-03  2.2619000000e-03  3.2043000000e-03  1.8220000000e-03  1.2066000000e-03 -1.7752000000e-03  1.0354000000e-03 -3.6024000000e-03 -1.4842000000e-03 -2.6484000000e-03  2.8550000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4920000000e-01  9.2319200000e-01  4.2990000000e-02  2.4441100000e-01 -3.5460900000e-01  8.5483800000e-01  1.7873770000e+00 -1.6794490000e+00 -1.0968850000e+00  1.5546110000e+00 -1.0490190000e+00 -4.1526200000e-01  2.7438040000e+00 -1.6569710000e+00 -1.1280800000e+00
-ENERGY -1.526523705175e+02
-FORCES  6.5250000000e-04  3.8380000000e-04 -1.7820000000e-04  2.2600000000e-04 -5.7668000000e-03 -2.8580000000e-04  4.3968000000e-03  1.7880000000e-04 -8.3115000000e-03 -6.7623000000e-03  8.2786000000e-03  3.4493000000e-03  6.0510000000e-03 -5.2587000000e-03  4.0846000000e-03 -4.5640000000e-03  2.1843000000e-03  1.2417000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2156400000e-01  7.9386700000e-01 -4.2732100000e-01  9.5325400000e-01  8.2945000000e-02 -2.5670000000e-02 -1.8319900000e-01 -2.9048360000e+00  1.4691370000e+00 -1.6461000000e-02 -3.7255840000e+00  1.9326040000e+00  1.7681000000e-01 -2.2280920000e+00  2.0424100000e+00
-ENERGY -1.526535052163e+02
-FORCES  2.2142000000e-03  3.2099000000e-03 -3.3627000000e-03  1.3863000000e-03 -3.5302000000e-03  1.7534000000e-03 -4.0268000000e-03 -1.3850000000e-04  1.1988000000e-03  1.4279000000e-03  1.2704000000e-03  4.0540000000e-03 -7.2880000000e-04  3.5473000000e-03 -2.3367000000e-03 -2.7280000000e-04 -4.3589000000e-03 -1.3069000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2733800000e-01 -2.0411300000e-01 -8.3183600000e-01 -9.2373000000e-01 -2.0200500000e-01 -1.4882400000e-01  1.9570550000e+00  1.8185440000e+00  1.1387050000e+00  1.0602350000e+00  1.6267340000e+00  8.6456300000e-01  2.5046820000e+00  1.3076340000e+00  5.4262800000e-01
-ENERGY -1.526582146605e+02
-FORCES -1.2847000000e-03 -2.4053000000e-03 -3.2427000000e-03 -1.4180000000e-03  1.6829000000e-03  4.3513000000e-03  4.6592000000e-03  9.6690000000e-04  3.5980000000e-04 -6.2237000000e-03 -7.9612000000e-03 -4.5916000000e-03  4.9036000000e-03  5.8143000000e-03  2.1253000000e-03 -6.3630000000e-04  1.9024000000e-03  9.9790000000e-04
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1961300000e-01 -5.2373000000e-02  9.0074200000e-01 -3.3143800000e-01 -7.9433600000e-01 -4.1882100000e-01 -1.7450670000e+00 -1.5845770000e+00 -1.2923780000e+00 -1.5773750000e+00 -2.4618390000e+00 -1.6366510000e+00 -1.7852080000e+00 -1.0258060000e+00 -2.0685190000e+00
-ENERGY -1.526591131392e+02
-FORCES -1.1598300000e-02 -1.0504700000e-02 -3.8144000000e-03  1.0665000000e-03 -2.1900000000e-05 -2.3830000000e-03  7.6714000000e-03  4.5750000000e-03  1.8589000000e-03  7.6710000000e-04  4.8888000000e-03 -2.0109000000e-03  8.9530000000e-04  5.4915000000e-03  2.3698000000e-03  1.1980000000e-03 -4.4287000000e-03  3.9796000000e-03
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6313600000e-01  2.8967200000e-01  6.2655600000e-01  8.3221000000e-02 -9.5347400000e-01 -1.3898000000e-02 -1.3116200000e+00 -1.2826020000e+00  3.0591050000e+00 -1.8297310000e+00 -1.9864840000e+00  3.4494160000e+00 -1.6044680000e+00 -1.2456010000e+00  2.1485540000e+00
-ENERGY -1.526564485802e+02
-FORCES  5.2414000000e-03 -1.7019000000e-03  2.5989000000e-03 -2.6771000000e-03 -1.0473000000e-03 -3.6394000000e-03 -2.0968000000e-03  3.8406000000e-03  3.4220000000e-04 -4.2617000000e-03 -1.4141000000e-03 -2.0782000000e-03  2.2018000000e-03  2.7928000000e-03 -1.9756000000e-03  1.5923000000e-03 -2.4701000000e-03  4.7520000000e-03
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5467900000e-01  7.1977700000e-01 -5.2187700000e-01 -9.4578800000e-01  1.4736300000e-01  6.3800000000e-04 -1.2022960000e+00 -1.7437380000e+00 -2.9517910000e+00 -5.3809300000e-01 -2.1464980000e+00 -3.5111210000e+00 -1.1176540000e+00 -8.0467100000e-01 -3.1167810000e+00
-ENERGY -1.526529064115e+02
-FORCES -3.1021000000e-03  2.0891000000e-03 -1.9292000000e-03 -1.5838000000e-03 -3.0545000000e-03  1.3638000000e-03  4.1605000000e-03  5.2830000000e-04  5.5100000000e-05  4.4811000000e-03  1.8090000000e-03 -1.8542000000e-03 -2.9296000000e-03  1.7220000000e-03  1.8403000000e-03 -1.0260000000e-03 -3.0940000000e-03  5.2410000000e-04
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0147700000e-01  8.4025300000e-01 -3.4542400000e-01 -4.3317600000e-01 -6.5420400000e-01 -5.4827800000e-01 -1.5945910000e+00 -1.8106780000e+00 -1.4557070000e+00 -1.6497870000e+00 -2.7637230000e+00 -1.5256500000e+00 -1.6071400000e+00 -1.5024190000e+00 -2.3618260000e+00
-ENERGY -1.526601512282e+02
-FORCES -8.0377000000e-03 -6.2493000000e-03 -5.7274000000e-03  7.1770000000e-04 -2.8902000000e-03 -1.1900000000e-05  6.0303000000e-03  7.7224000000e-03  2.4876000000e-03  7.5240000000e-04 -2.5048000000e-03 -9.8080000000e-04 -4.1510000000e-04  4.8252000000e-03 -1.1127000000e-03  9.5240000000e-04 -9.0330000000e-04  5.3452000000e-03
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3320800000e-01 -5.6509000000e-02  4.6776400000e-01 -9.1331000000e-02  9.2795600000e-01 -2.1630500000e-01 -2.0495630000e+00 -1.5738820000e+00  1.4935210000e+00 -1.8347320000e+00 -2.4818660000e+00  1.2798720000e+00 -1.4162600000e+00 -1.0544860000e+00  9.9815500000e-01
-ENERGY -1.526618462784e+02
-FORCES  3.0920000000e-03  4.6515000000e-03  3.3790000000e-04 -4.3560000000e-03  3.0770000000e-04 -2.3070000000e-03  1.5100000000e-03 -4.3329000000e-03  1.2182000000e-03  6.3282000000e-03  2.3734000000e-03 -6.2402000000e-03 -1.6350000000e-04  2.8264000000e-03  8.9870000000e-04 -6.4107000000e-03 -5.8260000000e-03  6.0926000000e-03
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7173800000e-01 -6.6641900000e-01  3.8109600000e-01  2.8432300000e-01  8.1976900000e-01  4.0419100000e-01 -1.1988450000e+00  3.3741370000e+00  4.0648000000e-01 -1.9180210000e+00  3.3505200000e+00 -2.2475700000e-01 -1.3918790000e+00  2.6625860000e+00  1.0169420000e+00
-ENERGY -1.526561317103e+02
-FORCES  4.7259000000e-03  9.3550000000e-04  1.9542000000e-03 -2.4019000000e-03  2.9361000000e-03 -1.4715000000e-03 -2.3922000000e-03 -5.0283000000e-03  1.0390000000e-04 -5.7349000000e-03 -2.6005000000e-03 -1.1468000000e-03  2.7997000000e-03  8.9400000000e-04  2.9853000000e-03  3.0034000000e-03  2.8631000000e-03 -2.4252000000e-03
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2371100000e-01  5.6586400000e-01 -5.6723600000e-01  1.3460700000e-01 -8.8088600000e-01 -3.4950300000e-01  3.6450000000e-02 -2.5981070000e+00 -1.6010600000e-01  7.5563500000e-01 -2.9944570000e+00 -6.5195100000e-01  1.0615100000e-01 -2.9785760000e+00  7.1546100000e-01
-ENERGY -1.526573727014e+02
-FORCES -3.6370000000e-04 -1.6733400000e-02 -1.3231000000e-03 -6.5360000000e-04 -4.9821000000e-03  6.6410000000e-04  2.5687000000e-03  9.6250000000e-03 -2.7301000000e-03  1.1467000000e-03  7.6478000000e-03  6.2621000000e-03 -3.0939000000e-03  4.6744000000e-03  2.5934000000e-03  3.9590000000e-04 -2.3170000000e-04 -5.4665000000e-03
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0486600000e-01  5.5723600000e-01  4.8975200000e-01 -1.5688100000e-01 -8.8105300000e-01  3.3965500000e-01 -1.5828380000e+00 -2.0550290000e+00  1.6658210000e+00 -1.4165850000e+00 -2.9793540000e+00  1.8507930000e+00 -1.5324820000e+00 -1.6264670000e+00  2.5202390000e+00
-ENERGY -1.526591547794e+02
-FORCES -6.7437000000e-03 -4.9160000000e-03  4.8680000000e-03  2.6511000000e-03 -3.4410000000e-04 -1.1177000000e-03  5.3181000000e-03  4.9621000000e-03 -3.5889000000e-03 -1.0523000000e-03 -2.9039000000e-03  5.3112000000e-03 -3.1590000000e-04  4.6880000000e-03 -8.0180000000e-04  1.4270000000e-04 -1.4862000000e-03 -4.6708000000e-03
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8048700000e-01 -7.3720900000e-01  5.4229300000e-01  5.7186800000e-01  7.2163100000e-01  2.6162300000e-01  1.8097470000e+00  1.5699610000e+00  1.6473620000e+00  2.4714840000e+00  1.2566820000e+00  1.0307660000e+00  1.7777870000e+00  2.5159710000e+00  1.5049700000e+00
-ENERGY -1.526575015193e+02
-FORCES  5.7034000000e-03  4.0322000000e-03  1.0218000000e-02 -6.2500000000e-04  1.1958000000e-03 -2.9816000000e-03 -7.8320000000e-04 -2.9818000000e-03 -8.0146000000e-03  3.3348000000e-03  2.8735000000e-03 -1.3000000000e-06 -7.2615000000e-03  5.0290000000e-04  1.3603000000e-03 -3.6840000000e-04 -5.6226000000e-03 -5.8080000000e-04
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0325500000e-01 -3.9692000000e-01 -6.2830700000e-01 -8.3242000000e-02  9.4179300000e-01 -1.4942500000e-01 -1.4099010000e+00  1.1831280000e+00  2.9185080000e+00 -1.8912880000e+00  1.7989560000e+00  2.3660090000e+00 -1.8643860000e+00  1.2102410000e+00  3.7604940000e+00
-ENERGY -1.526518978207e+02
-FORCES -2.8803000000e-03  2.2753000000e-03 -1.6229000000e-03  2.3857000000e-03  1.7008000000e-03  2.5414000000e-03 -6.3100000000e-05 -3.4938000000e-03 -6.0600000000e-05 -3.8340000000e-03  2.0735000000e-03  1.1326000000e-03  2.3642000000e-03 -2.1392000000e-03  1.7183000000e-03  2.0275000000e-03 -4.1660000000e-04 -3.7087000000e-03
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4492000000e-01  1.5187400000e-01  1.7087000000e-02 -2.8237000000e-01  1.4265200000e-01  9.0341000000e-01 -2.0056770000e+00  1.5437790000e+00 -1.2114240000e+00 -1.2460050000e+00  1.2552010000e+00 -7.0560500000e-01 -1.9751660000e+00  1.0185290000e+00 -2.0110570000e+00
-ENERGY -1.526598007716e+02
-FORCES  1.3252000000e-03  8.7400000000e-05  2.2800000000e-03 -5.2080000000e-03 -6.2250000000e-04  2.4240000000e-04  1.1735000000e-03  1.6372000000e-03 -6.4139000000e-03  1.0262500000e-02 -9.5321000000e-03  1.6248000000e-03 -6.6845000000e-03  6.2067000000e-03  9.5740000000e-04 -8.6870000000e-04  2.2232000000e-03  1.3094000000e-03
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6400900000e-01 -5.9755000000e-02 -4.0761500000e-01  7.7640000000e-02 -5.1433400000e-01  8.0353200000e-01  2.9640350000e+00 -8.7181100000e-01  4.7763100000e-01  3.7046410000e+00 -1.1456190000e+00 -6.3446000000e-02  3.0624790000e+00  7.7018000000e-02  5.5678200000e-01
-ENERGY -1.526582082518e+02
-FORCES  6.7407000000e-03 -6.0223000000e-03  2.1109000000e-03 -4.1889000000e-03  4.5747000000e-03 -2.4390000000e-04 -2.3689000000e-03  3.0045000000e-03 -1.9964000000e-03  5.7267000000e-03  1.5233000000e-03 -1.3860000000e-04 -3.6347000000e-03  1.8653000000e-03  2.2732000000e-03 -2.2749000000e-03 -4.9454000000e-03 -2.0053000000e-03
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7795100000e-01 -6.6866900000e-01 -3.6754100000e-01  3.1408700000e-01  8.2203200000e-01 -3.7662300000e-01  2.2195300000e-01  3.2369070000e+00  1.5775140000e+00 -5.7612000000e-02  4.1354900000e+00  1.7525090000e+00 -1.4277300000e-01  2.7269360000e+00  2.3007960000e+00
-ENERGY -1.526569330733e+02
-FORCES  3.7989000000e-03  1.9847000000e-03 -2.9849000000e-03 -2.2378000000e-03  2.6227000000e-03  1.4177000000e-03 -1.3086000000e-03 -5.5443000000e-03  2.1270000000e-04 -3.0396000000e-03  1.2570000000e-03  4.5726000000e-03  1.1370000000e-03 -3.7051000000e-03 -6.0380000000e-04  1.6502000000e-03  3.3851000000e-03 -2.6143000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3505900000e-01 -8.9653600000e-01  1.3781000000e-02 -7.1112700000e-01  5.2758100000e-01  3.6357700000e-01 -1.9062920000e+00  1.5229450000e+00  1.3499160000e+00 -1.7729370000e+00  2.2825720000e+00  7.8298200000e-01 -2.8543600000e+00  1.4800830000e+00  1.4746680000e+00
-ENERGY -1.526593654153e+02
-FORCES -1.0365600000e-02  2.6598000000e-03  7.7286000000e-03  7.2910000000e-04  2.4085000000e-03 -1.5160000000e-04  6.8535000000e-03  2.3220000000e-04 -7.1799000000e-03 -2.0863000000e-03  5.1800000000e-04 -1.4317000000e-03  1.6200000000e-04 -6.9604000000e-03  1.6843000000e-03  4.7074000000e-03  1.1418000000e-03 -6.4970000000e-04
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7285900000e-01 -2.0521800000e-01 -5.2612400000e-01 -6.9890000000e-02  9.5388400000e-01 -3.8115000000e-02 -1.1496300000e-01  2.7579470000e+00 -2.9476900000e-01  5.9233800000e-01  3.2700780000e+00 -6.8678900000e-01 -9.1652000000e-01  3.1843890000e+00 -5.9789400000e-01
-ENERGY -1.526605925893e+02
-FORCES  1.6088000000e-03  1.3059300000e-02 -2.8628000000e-03 -1.7739000000e-03  9.7430000000e-04  1.3525000000e-03 -4.4200000000e-04 -9.3240000000e-03  1.4295000000e-03 -6.0100000000e-05 -1.4541000000e-03 -2.2221000000e-03 -4.1332000000e-03 -1.9942000000e-03  1.2240000000e-03  4.8004000000e-03 -1.2613000000e-03  1.0789000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7468700000e-01 -4.1204100000e-01 -3.8251100000e-01 -2.1854900000e-01 -5.5106100000e-01  7.5153200000e-01  5.2534000000e-02  2.6593150000e+00 -1.8969000000e-01  1.5695900000e-01  1.7139500000e+00 -8.1930000000e-02  5.1041700000e-01  3.0384040000e+00  5.6055400000e-01
-ENERGY -1.526592097517e+02
-FORCES -1.7510000000e-04  4.4000000000e-03  1.7042000000e-03 -3.9039000000e-03  3.1162000000e-03  3.2338000000e-03  2.4148000000e-03  1.7107000000e-03 -4.2935000000e-03 -2.6930000000e-04 -1.5612400000e-02  3.2380000000e-03  3.1240000000e-03  8.9912000000e-03 -2.2728000000e-03 -1.1905000000e-03 -2.6057000000e-03 -1.6097000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1564700000e-01 -7.1935100000e-01 -5.4693100000e-01 -9.4516200000e-01  1.8775000000e-02 -1.5016000000e-01 -2.7700550000e+00  5.3259000000e-02  3.4377000000e-02 -3.0892660000e+00  9.3751500000e-01 -1.4570100000e-01 -3.3758710000e+00 -5.2069600000e-01 -4.3444500000e-01
-ENERGY -1.526603946471e+02
-FORCES -1.2547300000e-02 -2.2668000000e-03 -8.5720000000e-04 -2.0470000000e-03  1.7807000000e-03  1.3775000000e-03  1.0310200000e-02  1.7736000000e-03 -1.4276000000e-03 -6.3460000000e-04  4.8740000000e-04 -1.2760000000e-03  2.0185000000e-03 -5.2812000000e-03  1.6830000000e-04  2.9002000000e-03  3.5063000000e-03  2.0151000000e-03
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2053000000e-01 -5.8361000000e-01 -6.3149500000e-01 -4.4215200000e-01 -1.8445900000e-01  8.2867900000e-01 -1.6907100000e+00  1.9226640000e+00 -1.4001400000e+00 -1.6612690000e+00  2.8786870000e+00 -1.3629270000e+00 -1.3171770000e+00  1.6384070000e+00 -5.6593200000e-01
-ENERGY -1.526585538651e+02
-FORCES -1.4804000000e-03 -5.8652000000e-03 -2.5067000000e-03  1.8575000000e-03  2.7730000000e-03  4.5609000000e-03  6.0750000000e-04  3.5772000000e-03 -4.8243000000e-03  6.0129000000e-03 -8.9350000000e-04  4.7746000000e-03  4.7280000000e-04 -3.6666000000e-03  8.3150000000e-04 -7.4704000000e-03  4.0751000000e-03 -2.8361000000e-03
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1439000000e-01 -4.4762600000e-01  8.1847400000e-01 -9.5639600000e-01  3.8110000000e-02 -9.3040000000e-03  4.1732400000e-01  2.7496030000e+00 -1.4381730000e+00  5.8878000000e-02  3.3924550000e+00 -2.0501280000e+00  7.1495000000e-02  1.9103210000e+00 -1.7418840000e+00
-ENERGY -1.526550411122e+02
-FORCES -1.6272000000e-03 -8.4520000000e-04  5.6466000000e-03 -1.4783000000e-03  1.4061000000e-03 -3.2445000000e-03  4.1810000000e-03  3.5200000000e-05 -1.5852000000e-03 -1.4658000000e-03 -3.4201000000e-03 -2.5044000000e-03  1.0415000000e-03 -2.9768000000e-03  2.9276000000e-03 -6.5130000000e-04  5.8009000000e-03 -1.2401000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9015900000e-01  7.5440000000e-01 -4.4146200000e-01  4.1947600000e-01 -1.8071000000e-02  8.6020100000e-01 -1.4157210000e+00  1.2707400000e+00  2.6949060000e+00 -6.1576000000e-01  1.6225700000e+00  2.3043810000e+00 -2.1251230000e+00  1.7053680000e+00  2.2215350000e+00
-ENERGY -1.526530208883e+02
-FORCES  2.7241000000e-03  7.9230000000e-04  2.4640000000e-03 -2.4653000000e-03 -2.3882000000e-03  2.9963000000e-03 -7.7800000000e-04  2.2351000000e-03 -4.0148000000e-03 -1.1587000000e-03  2.4907000000e-03 -6.5425000000e-03 -9.4840000000e-04 -2.3245000000e-03  2.0073000000e-03  2.6263000000e-03 -8.0540000000e-04  3.0897000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7715000000e-02 -8.1745100000e-01  4.9464600000e-01  8.3872000000e-02  6.7973000000e-01  6.6870300000e-01 -1.5282220000e+00  7.3994000000e-02 -2.2981920000e+00 -2.4536690000e+00 -4.3101000000e-02 -2.0835560000e+00 -1.0867960000e+00  1.0295800000e-01 -1.4493480000e+00
-ENERGY -1.526608272202e+02
-FORCES -1.0189000000e-03 -3.8480000000e-04  5.5540000000e-04 -3.0640000000e-04  4.9690000000e-03 -1.7500000000e-03 -6.6110000000e-04 -4.3948000000e-03 -2.5757000000e-03  5.4072000000e-03  1.0620000000e-04  1.1371500000e-02  3.1643000000e-03  8.5300000000e-05  6.1180000000e-04 -6.5852000000e-03 -3.8080000000e-04 -8.2130000000e-03
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3998100000e-01 -3.7077300000e-01  2.7053800000e-01  1.2893700000e-01  9.4722300000e-01  4.8733000000e-02 -1.5909530000e+00 -1.9115680000e+00  1.2676490000e+00 -1.2336250000e+00 -1.1404800000e+00  8.2722600000e-01 -2.5286430000e+00 -1.7335090000e+00  1.3402000000e+00
-ENERGY -1.526614667006e+02
-FORCES  2.6551000000e-03  1.1670000000e-04  2.5645000000e-03 -4.6322000000e-03  2.9075000000e-03 -1.1970000000e-03  3.0270000000e-04 -4.5932000000e-03 -2.6010000000e-04  3.1922000000e-03  8.8718000000e-03 -5.5872000000e-03 -4.5935000000e-03 -8.0251000000e-03  5.1025000000e-03  3.0757000000e-03  7.2230000000e-04 -6.2270000000e-04
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9326500000e-01  8.7324200000e-01  3.4107000000e-01 -9.5599400000e-01 -4.3711000000e-02 -1.9892000000e-02  1.8424290000e+00 -1.6556410000e+00  1.1334520000e+00  2.5909500000e+00 -1.1788940000e+00  7.7476000000e-01  1.0828960000e+00 -1.2798690000e+00  6.8832600000e-01
-ENERGY -1.526598627634e+02
-FORCES  1.9131000000e-03  8.1300000000e-05  4.6284000000e-03 -1.6100000000e-03 -4.0784000000e-03 -2.4316000000e-03  4.9338000000e-03  9.2110000000e-04  7.4010000000e-04 -8.6358000000e-03  9.4348000000e-03 -8.2592000000e-03 -1.9549000000e-03 -4.6320000000e-04  1.5707000000e-03  5.3539000000e-03 -5.8957000000e-03  3.7516000000e-03
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6811100000e-01 -1.0334800000e-01  6.7762700000e-01 -2.6056000000e-01  7.8876000000e-01 -4.7560300000e-01 -1.7476210000e+00 -2.5410000000e-03  2.1679510000e+00 -1.3436230000e+00  7.0828000000e-01  2.6656970000e+00 -2.6888470000e+00  1.4827100000e-01  2.2550150000e+00
-ENERGY -1.526606687361e+02
-FORCES -1.0086000000e-02  8.3730000000e-04  7.6822000000e-03  7.7365000000e-03  1.3089000000e-03 -6.1977000000e-03  5.4330000000e-04 -1.8837000000e-03  1.9682000000e-03 -2.4990000000e-04  2.5156000000e-03 -8.3100000000e-05 -2.9076000000e-03 -3.2589000000e-03 -3.6783000000e-03  4.9638000000e-03  4.8090000000e-04  3.0880000000e-04
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4026900000e-01 -3.7429000000e-02 -1.7528400000e-01  4.0514900000e-01  1.9725000000e-02 -8.6700500000e-01  1.5662360000e+00  1.5294060000e+00  1.4782330000e+00  2.3891820000e+00  1.3665000000e+00  1.0173060000e+00  9.4366300000e-01  9.2104300000e-01  1.0800750000e+00
-ENERGY -1.526579288552e+02
-FORCES  3.6001000000e-03  7.4048000000e-03  2.7537000000e-03  5.0983000000e-03 -1.3310000000e-04 -8.8840000000e-04 -2.1199000000e-03 -1.6080000000e-04  4.6261000000e-03 -9.8020000000e-03 -1.1080200000e-02 -9.8104000000e-03 -2.9442000000e-03 -1.0500000000e-05 -2.4640000000e-04  6.1678000000e-03  3.9798000000e-03  3.5653000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0366500000e-01  7.0492500000e-01 -4.0698100000e-01  3.4010000000e-01 -5.3216000000e-02  8.9315800000e-01  1.7819670000e+00  2.0886600000e-01  2.3046740000e+00  2.4971920000e+00  2.1725000000e-02  1.6966740000e+00  1.7830760000e+00 -5.3130000000e-01  2.9116210000e+00
-ENERGY -1.526598817888e+02
-FORCES  6.1818000000e-03  4.4189000000e-03  8.5638000000e-03 -7.6450000000e-04 -2.7865000000e-03  4.1900000000e-04 -4.5359000000e-03 -3.0063000000e-03 -7.6729000000e-03  4.6395000000e-03 -3.2162000000e-03  4.2140000000e-04 -4.9621000000e-03  1.1665000000e-03  2.2984000000e-03 -5.5870000000e-04  3.4235000000e-03 -4.0298000000e-03
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3580000000e-01 -5.2805900000e-01  3.0981300000e-01  7.7253200000e-01 -5.3564400000e-01  1.8030700000e-01  1.6944800000e+00 -1.8384810000e+00  1.3481390000e+00  1.2276430000e+00 -1.7719200000e+00  2.1811240000e+00  1.1842690000e+00 -2.4663670000e+00  8.3659600000e-01
-ENERGY -1.526563842668e+02
-FORCES  6.7362000000e-03 -7.8571000000e-03  6.8683000000e-03  2.5526000000e-03  6.8710000000e-04 -5.5070000000e-04 -6.5986000000e-03  1.7086000000e-03 -5.8614000000e-03 -4.9229000000e-03 -8.4200000000e-04  3.5292000000e-03  1.5551000000e-03 -9.9230000000e-04 -4.9583000000e-03  6.7770000000e-04  7.2956000000e-03  9.7290000000e-04
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1040700000e-01 -3.5267700000e-01  5.3588500000e-01 -1.5553900000e-01 -6.7136500000e-01 -6.6431100000e-01  1.5613100000e+00 -1.4376000000e-01  2.2168870000e+00  1.3341300000e+00  6.9878900000e-01  2.6102480000e+00  2.4843190000e+00 -5.6405000000e-02  1.9788670000e+00
-ENERGY -1.526593226967e+02
-FORCES  6.1075000000e-03 -2.5926000000e-03  9.5294000000e-03 -2.9218000000e-03 -8.1300000000e-05 -1.0398700000e-02  2.4370000000e-03  1.2784000000e-03  3.6226000000e-03 -2.7567000000e-03  6.5214000000e-03 -5.7520000000e-04  2.9285000000e-03 -4.3239000000e-03 -9.9170000000e-04 -5.7945000000e-03 -8.0200000000e-04 -1.1864000000e-03
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3466400000e-01  6.2922700000e-01 -5.7564900000e-01  6.5248600000e-01 -2.0243800000e-01  6.7045700000e-01  1.8097510000e+00  1.3570100000e-01  2.1791370000e+00  2.5516900000e+00  2.1537500000e-01  1.5796280000e+00  1.9322820000e+00 -7.1477700000e-01  2.6009250000e+00
-ENERGY -1.526573300997e+02
-FORCES  7.8606000000e-03  3.3397000000e-03  9.3671000000e-03 -2.9980000000e-04 -2.2922000000e-03  2.0331000000e-03 -2.4201000000e-03 -3.1227000000e-03 -9.2812000000e-03  3.3205000000e-03 -1.0075000000e-03  1.3760000000e-03 -6.9914000000e-03 -1.2981000000e-03  5.6980000000e-04 -1.4698000000e-03  4.3808000000e-03 -4.0648000000e-03
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4900400000e-01 -1.2736500000e-01  5.8224000000e-01 -5.6654000000e-02 -7.2238800000e-01 -6.2544200000e-01 -1.6077140000e+00 -2.9769350000e+00  5.4526700000e-01 -1.9252130000e+00 -3.7954820000e+00  1.6394400000e-01 -6.5728200000e-01 -3.0834210000e+00  5.8491400000e-01
-ENERGY -1.526571781105e+02
-FORCES -5.9241000000e-03 -3.6409000000e-03 -4.7210000000e-04  4.4612000000e-03  2.0170000000e-03 -1.6827000000e-03  2.5606000000e-03  2.4277000000e-03  2.3173000000e-03  1.6567000000e-03 -5.7102000000e-03 -2.2920000000e-04  1.8479000000e-03  3.5327000000e-03  1.5332000000e-03 -4.6022000000e-03  1.3737000000e-03 -1.4665000000e-03
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3202300000e-01  2.8440000000e-03  4.7324600000e-01 -5.3360000000e-02  7.5670500000e-01 -5.8376500000e-01 -1.5397070000e+00  3.4071600000e-01  2.2101930000e+00 -1.1785070000e+00 -4.5018400000e-01  2.6104960000e+00 -9.7707500000e-01  1.0478640000e+00  2.5258170000e+00
-ENERGY -1.526589475991e+02
-FORCES -1.0290200000e-02  3.4501000000e-03  8.6261000000e-03  5.9012000000e-03 -3.0246000000e-03 -6.8350000000e-03 -2.8810000000e-04 -1.6004000000e-03  3.2429000000e-03  1.0025400000e-02  3.3710000000e-04 -5.8980000000e-04 -1.9190000000e-03  3.8568000000e-03 -3.4145000000e-03 -3.4293000000e-03 -3.0190000000e-03 -1.0297000000e-03
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4195900000e-01 -6.8549100000e-01  6.2272800000e-01  5.8760000000e-03  8.0608700000e-01  5.1616000000e-01  1.9317620000e+00 -8.9018000000e-02 -1.9506380000e+00  2.8656650000e+00 -1.9305400000e-01 -1.7683340000e+00  1.5219550000e+00 -4.5788000000e-02 -1.0866810000e+00
-ENERGY -1.526582473780e+02
-FORCES -1.3448000000e-03  5.4650000000e-04  1.8444000000e-03  1.5521000000e-03  4.6675000000e-03 -4.6319000000e-03  1.5653000000e-03 -4.8900000000e-03 -2.9295000000e-03 -7.8127000000e-03  7.3200000000e-04  8.5405000000e-03 -4.3066000000e-03  2.5590000000e-04  1.7284000000e-03  1.0346700000e-02 -1.3119000000e-03 -4.5519000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8596000000e-01 -9.1190600000e-01  5.3723000000e-02 -1.3319000000e-02  3.0944100000e-01  9.0570400000e-01 -3.2252700000e-01  3.4562180000e+00  1.7374600000e-01  4.3487100000e-01  3.0271060000e+00 -2.2430300000e-01 -3.4056700000e-01  3.1263530000e+00  1.0721310000e+00
-ENERGY -1.526538559980e+02
-FORCES -2.4605000000e-03 -3.4820000000e-03  3.4412000000e-03  1.1526000000e-03  3.9656000000e-03 -4.3500000000e-05  9.4730000000e-04 -4.5500000000e-05 -3.5393000000e-03  2.8767000000e-03 -4.3830000000e-03  3.1410000000e-04 -2.6514000000e-03  3.4122000000e-03  2.7625000000e-03  1.3530000000e-04  5.3280000000e-04 -2.9349000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9499500000e-01 -1.1647900000e-01 -6.4780100000e-01 -2.6690000000e-01  9.1419800000e-01 -9.6114000000e-02 -1.6417460000e+00 -1.8326860000e+00 -1.4059690000e+00 -1.0440050000e+00 -2.3750620000e+00 -8.9141500000e-01 -1.5400490000e+00 -9.5279800000e-01 -1.0430810000e+00
-ENERGY -1.526579423267e+02
-FORCES  2.8867000000e-03  8.3240000000e-04 -3.6739000000e-03 -4.0286000000e-03  2.8680000000e-04  3.4332000000e-03 -4.2780000000e-04 -5.7899000000e-03 -1.0758000000e-03  7.7458000000e-03  6.3420000000e-03  1.0090100000e-02 -1.2939000000e-03 -6.0170000000e-04 -3.2506000000e-03 -4.8823000000e-03 -1.0696000000e-03 -5.5230000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1363300000e-01 -2.4739600000e-01  4.3935000000e-01  1.2810000000e-02  9.5630500000e-01  3.9360000000e-02  1.6021200000e-01 -1.6704600000e+00 -2.2246200000e+00  2.4724000000e-01 -2.2920320000e+00 -1.5019130000e+00  9.4690000000e-03 -8.2665200000e-01 -1.7985960000e+00
-ENERGY -1.526587397183e+02
-FORCES -2.1786000000e-03  1.3670000000e-04  1.1019000000e-03  4.4522000000e-03  9.6220000000e-04 -2.8651000000e-03 -8.1370000000e-04 -5.2240000000e-03 -1.2360000000e-03  1.1496000000e-03  6.7900000000e-03  1.3174000000e-02 -1.2123000000e-03 -3.3560000000e-04 -2.6444000000e-03 -1.3972000000e-03 -2.3293000000e-03 -7.5304000000e-03
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8599600000e-01 -3.2398700000e-01  4.3985800000e-01  1.4869800000e-01  9.4079500000e-01 -9.4998000000e-02  1.6658930000e+00 -2.0683540000e+00  1.2340110000e+00  1.2994750000e+00 -2.5673430000e+00  5.0395700000e-01  2.6108520000e+00 -2.2062280000e+00  1.1686230000e+00
-ENERGY -1.526606568242e+02
-FORCES  5.3371000000e-03 -1.3211000000e-03  4.6500000000e-03 -5.5366000000e-03  5.6989000000e-03 -6.5123000000e-03  6.2930000000e-04 -3.5470000000e-03  8.7380000000e-04  1.1911000000e-03 -5.7448000000e-03 -2.5003000000e-03  3.0006000000e-03  3.6583000000e-03  3.7125000000e-03 -4.6216000000e-03  1.2556000000e-03 -2.2380000000e-04
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2815000000e-01 -1.8470700000e-01 -9.1107800000e-01 -9.5591800000e-01 -4.4475000000e-02  2.1774000000e-02 -1.2427120000e+00  2.7894050000e+00  7.2761800000e-01 -1.1850870000e+00  2.1340220000e+00  1.4228760000e+00 -4.7681400000e-01  2.6240060000e+00  1.7782200000e-01
-ENERGY -1.526576443409e+02
-FORCES -3.9189000000e-03 -2.1555000000e-03 -4.1581000000e-03 -1.0261000000e-03  1.5938000000e-03  3.9254000000e-03  4.8995000000e-03  3.7170000000e-04  1.0719000000e-03  6.8920000000e-03 -5.4897000000e-03  6.7150000000e-04 -2.8375000000e-03  2.1170000000e-03 -2.1885000000e-03 -4.0091000000e-03  3.5627000000e-03  6.7780000000e-04
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7894600000e-01  3.5082300000e-01 -1.4355600000e-01  1.8556200000e-01  1.8669800000e-01  9.2029500000e-01  1.6505630000e+00  1.7767760000e+00 -1.9280120000e+00  8.7424400000e-01  1.4800350000e+00 -1.4531380000e+00  1.6147120000e+00  1.3092600000e+00 -2.7625030000e+00
-ENERGY -1.526581018169e+02
-FORCES -1.7534000000e-03 -6.5810000000e-04  6.3529000000e-03  5.9839000000e-03  1.3920000000e-04 -1.2025000000e-03 -1.7592000000e-03 -9.0000000000e-04 -4.4263000000e-03 -4.0872000000e-03 -7.0828000000e-03  2.1329000000e-03  1.6983000000e-03  6.5307000000e-03 -5.4283000000e-03 -8.2300000000e-05  1.9710000000e-03  2.5713000000e-03
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6042700000e-01  2.1496900000e-01  5.4015900000e-01 -9.6796000000e-02  7.4960400000e-01 -5.8733000000e-01 -1.4981570000e+00  1.6059700000e-01  2.1059670000e+00 -1.0610290000e+00  9.6407000000e-01  2.3880710000e+00 -1.1319280000e+00 -2.0635000000e-02  1.2403670000e+00
-ENERGY -1.526552966645e+02
-FORCES -4.3307000000e-03  3.6818000000e-03  9.8836000000e-03 -6.1382000000e-03  6.0250000000e-04 -1.9308000000e-03  6.5960000000e-04 -3.2903000000e-03  5.0466000000e-03  1.2431600000e-02  2.5750000000e-04 -1.9294900000e-02  4.4200000000e-04 -2.0967000000e-03 -1.3175000000e-03 -3.0644000000e-03  8.4530000000e-04  7.6129000000e-03
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5655600000e-01 -2.1948000000e-02  2.7394000000e-02  2.0647300000e-01  7.1218700000e-01 -6.0530200000e-01 -1.4909440000e+00 -9.6745000000e-01  2.8847790000e+00 -2.3024000000e+00 -1.1015180000e+00  2.3950890000e+00 -1.3493690000e+00 -2.1097000000e-02  2.8601880000e+00
-ENERGY -1.526528013517e+02
-FORCES -2.9379000000e-03  1.3605000000e-03 -2.7629000000e-03  3.2500000000e-03  1.1533000000e-03 -6.4000000000e-06 -9.4100000000e-04 -3.0308000000e-03  3.2355000000e-03 -8.3780000000e-04  3.3640000000e-03 -1.6082000000e-03  3.6817000000e-03  1.0876000000e-03  8.4550000000e-04 -2.2151000000e-03 -3.9346000000e-03  2.9660000000e-04
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5313000000e-01  2.2469400000e-01  5.4638800000e-01 -1.6938100000e-01  4.3807000000e-01 -8.3404800000e-01  8.7479000000e-02 -2.7277100000e+00 -6.6167000000e-02  8.6199100000e-01 -2.8445180000e+00  4.8403200000e-01  8.2532000000e-02 -1.7943870000e+00 -2.7857100000e-01
-ENERGY -1.526603156014e+02
-FORCES -3.8125000000e-03 -2.0211000000e-03  1.7309000000e-03  3.9694000000e-03 -2.7940000000e-04 -3.6873000000e-03  2.2820000000e-04 -4.1125000000e-03  4.3149000000e-03  2.6204000000e-03  1.5498400000e-02  1.8091000000e-03 -2.2409000000e-03  9.6700000000e-05 -1.1896000000e-03 -7.6460000000e-04 -9.1821000000e-03 -2.9781000000e-03
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7903100000e-01 -2.7736100000e-01 -6.1499600000e-01 -1.2372400000e-01 -7.5376100000e-01  5.7686000000e-01 -1.6666530000e+00 -3.1305280000e+00 -5.3097400000e-01 -2.2382920000e+00 -3.8006660000e+00 -1.5630700000e-01 -1.9280040000e+00 -3.0788160000e+00 -1.4503500000e+00
-ENERGY -1.526563976398e+02
-FORCES  8.9140000000e-04 -6.3990000000e-03 -1.9380000000e-04 -2.2142000000e-03  1.7564000000e-03  1.9293000000e-03  2.0845000000e-03  5.0378000000e-03 -8.5270000000e-04 -4.4027000000e-03 -2.2207000000e-03 -3.1111000000e-03  2.4395000000e-03  2.8837000000e-03 -1.5258000000e-03  1.2016000000e-03 -1.0583000000e-03  3.7541000000e-03
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2324000000e-01 -7.3534100000e-01  3.1894400000e-01 -3.5829300000e-01  1.9140800000e-01 -8.6673000000e-01  1.2262960000e+00 -3.0916930000e+00  2.4189900000e-01  1.9520660000e+00 -3.2648720000e+00 -3.5768200000e-01  1.1400140000e+00 -3.8963990000e+00  7.5301100000e-01
-ENERGY -1.526549505307e+02
-FORCES -2.4371000000e-03 -5.2125000000e-03 -1.6056000000e-03 -3.4780000000e-04  5.2750000000e-03 -8.6890000000e-04  1.5712000000e-03 -5.2120000000e-04  3.0775000000e-03  4.5528000000e-03 -3.1563000000e-03 -1.0251000000e-03 -3.1506000000e-03 -2.1890000000e-04  2.5078000000e-03 -1.8860000000e-04  3.8339000000e-03 -2.0857000000e-03
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7579700000e-01 -1.2079300000e-01 -7.5504800000e-01  8.8401900000e-01 -2.1782000000e-02 -3.6642600000e-01  1.6736240000e+00  2.1874000000e-02 -2.1821140000e+00  1.3371560000e+00 -7.8134700000e-01 -2.5794250000e+00  2.6254130000e+00 -7.3626000000e-02 -2.2169050000e+00
-ENERGY -1.526570644569e+02
-FORCES  7.6716000000e-03  1.9506000000e-03 -1.3741200000e-02 -1.2370000000e-04 -1.3478000000e-03  2.1757000000e-03 -1.8669000000e-03 -1.9620000000e-03  7.2059000000e-03 -1.1452000000e-03 -3.0241000000e-03 -4.9880000000e-04  8.4630000000e-04  4.4420000000e-03  3.1153000000e-03 -5.3821000000e-03 -5.8600000000e-05  1.7431000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2978600000e-01 -1.3223600000e-01 -4.5847600000e-01  3.5976000000e-02 -6.0521100000e-01  7.4071400000e-01  1.6284600000e-01  1.7795550000e+00  2.0696490000e+00 -8.0015000000e-02  2.7051560000e+00  2.0470150000e+00 -9.2455000000e-02  1.4433800000e+00  1.2105570000e+00
-ENERGY -1.526609895131e+02
-FORCES  5.3451000000e-03 -1.3895000000e-03  4.2587000000e-03 -3.9617000000e-03  2.0600000000e-05  2.2726000000e-03 -2.2320000000e-04  4.5415000000e-03 -4.1341000000e-03 -1.6829000000e-03 -4.5081000000e-03 -1.0037800000e-02  6.8350000000e-04 -3.4270000000e-03 -2.0545000000e-03 -1.6090000000e-04  4.7626000000e-03  9.6951000000e-03
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5948700000e-01 -1.1070700000e-01 -8.3237500000e-01  1.6855800000e-01 -8.1252900000e-01  4.7709200000e-01  2.0155840000e+00  1.5392980000e+00  1.2291500000e+00  1.3609190000e+00  1.0803210000e+00  7.0285600000e-01  1.7992110000e+00  2.4660610000e+00  1.1265560000e+00
-ENERGY -1.526603457940e+02
-FORCES  9.6120000000e-04 -4.8731000000e-03  2.4410000000e-04 -3.9750000000e-04  2.6980000000e-03  6.5239000000e-03  1.1550000000e-04  5.1256000000e-03 -3.1209000000e-03 -1.1295500000e-02 -3.5262000000e-03 -4.9090000000e-03  1.0326300000e-02  3.6476000000e-03  1.7324000000e-03  2.8990000000e-04 -3.0719000000e-03 -4.7050000000e-04
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0813000000e-01 -2.3987300000e-01 -1.8437300000e-01  4.1641900000e-01 -8.2083700000e-01  2.6278200000e-01 -2.7746900000e+00 -3.2459800000e-01 -2.0626000000e-02 -2.9239430000e+00 -1.1652430000e+00  4.1212300000e-01 -3.4499500000e+00 -2.7992900000e-01 -6.9757500000e-01
-ENERGY -1.526594759790e+02
-FORCES -1.0948900000e-02 -2.2509000000e-03 -4.9300000000e-04  1.0402500000e-02 -1.6918000000e-03  7.7640000000e-04 -2.9375000000e-03  1.9644000000e-03 -5.0880000000e-04 -1.8751000000e-03 -1.0198000000e-03 -4.4340000000e-04  2.3550000000e-03  3.9909000000e-03 -3.3868000000e-03  3.0039000000e-03 -9.9280000000e-04  4.0556000000e-03
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6784000000e-02  4.5541300000e-01  8.3926800000e-01  9.9549000000e-02 -9.2603500000e-01  2.2086500000e-01 -1.0061650000e+00 -1.0701060000e+00 -2.6921680000e+00 -1.3378690000e+00 -7.3443800000e-01 -1.8593830000e+00 -1.6198180000e+00 -1.7642490000e+00 -2.9326440000e+00
-ENERGY -1.526573248969e+02
-FORCES  3.4305000000e-03 -1.3410000000e-03  4.7366000000e-03  2.7800000000e-05 -2.4341000000e-03 -3.6897000000e-03 -2.4265000000e-03  4.5514000000e-03 -6.0350000000e-04 -2.8867000000e-03  1.7999000000e-03  3.4419000000e-03 -8.4460000000e-04 -5.1300000000e-03 -5.7140000000e-03  2.6996000000e-03  2.5539000000e-03  1.8286000000e-03
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4244000000e-02  2.4771200000e-01 -9.2395800000e-01 -1.3060800000e-01 -9.4824700000e-01 -7.6200000000e-04  1.8093010000e+00  1.7134320000e+00  1.2310400000e+00  1.2531040000e+00  1.0625240000e+00  8.0302700000e-01  2.6917620000e+00  1.3462440000e+00  1.1794040000e+00
-ENERGY -1.526608683560e+02
-FORCES  7.2850000000e-04 -1.0184000000e-03 -7.9810000000e-04  1.0885000000e-03 -2.0167000000e-03  5.1088000000e-03  4.3590000000e-04  4.6771000000e-03 -1.5012000000e-03 -6.1716000000e-03 -9.4126000000e-03 -4.5640000000e-03  6.9387000000e-03  7.4763000000e-03  2.1403000000e-03 -3.0200000000e-03  2.9430000000e-04 -3.8580000000e-04
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6893600000e-01  2.6859700000e-01  5.0281800000e-01  4.8112000000e-02 -9.4802600000e-01  1.2313900000e-01  1.7540870000e+00  1.6970440000e+00  1.5055610000e+00  1.4046620000e+00  9.3998900000e-01  1.0354520000e+00  2.7039670000e+00  1.6146230000e+00  1.4209020000e+00
-ENERGY -1.526609001403e+02
-FORCES -5.4130000000e-03 -1.0540000000e-03  1.5147000000e-03  4.7213000000e-03 -2.3148000000e-03 -2.3046000000e-03  7.9860000000e-04  5.2994000000e-03  2.9580000000e-04 -2.9466000000e-03 -6.1508000000e-03 -6.7546000000e-03  6.2181000000e-03  5.2006000000e-03  7.5918000000e-03 -3.3784000000e-03 -9.8040000000e-04 -3.4310000000e-04
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4920000000e-01 -3.9515700000e-01 -5.8191300000e-01  2.2470100000e-01  9.3035200000e-01  1.3673000000e-02  1.9845300000e-01  2.7588950000e+00 -2.0191900000e-01  8.8196300000e-01  3.2194540000e+00 -6.8867500000e-01 -6.1759000000e-01  3.1702880000e+00 -4.8663300000e-01
-ENERGY -1.526606527729e+02
-FORCES  2.8284000000e-03  1.2134000000e-02 -2.1848000000e-03 -1.4752000000e-03  2.1543000000e-03  1.4255000000e-03  7.4000000000e-06 -1.0075300000e-02  1.0334000000e-03 -2.5772000000e-03 -1.2409000000e-03 -2.8586000000e-03 -3.8037000000e-03 -2.3848000000e-03  1.7087000000e-03  5.0202000000e-03 -5.8720000000e-04  8.7570000000e-04
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6802700000e-01 -8.3012000000e-02  5.6522100000e-01  1.1121900000e-01 -6.8594700000e-01 -6.5828500000e-01  2.3964800000e-01  1.7226410000e+00 -2.0888860000e+00 -5.8328600000e-01  1.5417580000e+00 -2.5430800000e+00  1.8811600000e-01  1.2067080000e+00 -1.2842800000e+00
-ENERGY -1.526591510005e+02
-FORCES  3.6694000000e-03 -5.1370000000e-04 -2.6484000000e-03 -3.8738000000e-03  3.2620000000e-04 -4.0603000000e-03 -5.3740000000e-04  6.8996000000e-03  2.0496000000e-03 -4.4448000000e-03 -7.8012000000e-03  1.3194500000e-02  2.6816000000e-03 -1.0855000000e-03  1.6240000000e-03  2.5051000000e-03  2.1747000000e-03 -1.0159400000e-02
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2171100000e-01  7.8879900000e-01 -3.4086300000e-01  3.5948500000e-01 -4.3350100000e-01 -7.7400200000e-01  1.3150200000e-01 -1.7501720000e+00 -2.4497520000e+00  5.8820600000e-01 -1.3775730000e+00 -3.2039570000e+00  3.2784000000e-02 -2.6780040000e+00 -2.6633260000e+00
-ENERGY -1.526591666704e+02
-FORCES -1.2896000000e-03 -3.0212000000e-03 -7.7922000000e-03  1.6975000000e-03 -2.2594000000e-03  1.0106000000e-03  1.2457000000e-03  6.6983000000e-03  5.8287000000e-03 -2.6560000000e-04 -4.8568000000e-03 -2.9706000000e-03 -2.0616000000e-03 -9.6390000000e-04  4.5248000000e-03  6.7360000000e-04  4.4030000000e-03 -6.0140000000e-04
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7999000000e-01 -2.4590400000e-01 -4.9737200000e-01  1.8391900000e-01 -7.6155200000e-01  5.4995000000e-01 -1.6699570000e+00 -2.0193690000e+00 -1.3250650000e+00 -1.3515400000e+00 -2.6450260000e+00 -6.7437700000e-01 -1.0515990000e+00 -2.0934820000e+00 -2.0519580000e+00
-ENERGY -1.526579025407e+02
-FORCES -7.4401000000e-03 -8.0497000000e-03 -2.3965000000e-03  5.7286000000e-03  5.2837000000e-03  2.3843000000e-03  2.4990000000e-04  1.4535000000e-03 -1.5508000000e-03  5.0332000000e-03 -4.0864000000e-03 -6.2200000000e-04 -5.2010000000e-04  4.3083000000e-03 -2.1132000000e-03 -3.0515000000e-03  1.0907000000e-03  4.2982000000e-03
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2575800000e-01  5.6389500000e-01  7.3978900000e-01 -6.3690800000e-01  5.0751500000e-01 -5.0299900000e-01  1.4243280000e+00 -1.3717130000e+00 -2.9679700000e+00  1.8973400000e+00 -2.1414870000e+00 -3.2841020000e+00  1.9218880000e+00 -6.2797200000e-01 -3.3078430000e+00
-ENERGY -1.526525482389e+02
-FORCES -1.9970000000e-03  3.8026000000e-03 -5.7500000000e-05 -5.5850000000e-04 -2.4870000000e-03 -3.1896000000e-03  2.5140000000e-03 -1.5244000000e-03  2.5950000000e-03  4.3225000000e-03 -5.0400000000e-05 -1.5210000000e-03 -2.0071000000e-03  3.1614000000e-03  1.2854000000e-03 -2.2739000000e-03 -2.9022000000e-03  8.8760000000e-04
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0575700000e-01  3.0786700000e-01  5.6864400000e-01 -1.3017600000e-01  4.7327100000e-01 -8.2176700000e-01 -2.4396300000e-01 -2.6737990000e+00  1.4087000000e-02 -5.6823000000e-02 -1.7449960000e+00 -1.2205600000e-01 -3.1261700000e-01 -3.0367290000e+00 -8.6897600000e-01
-ENERGY -1.526598515736e+02
-FORCES -4.6019000000e-03 -3.8127000000e-03  6.3680000000e-04  3.7679000000e-03 -8.0080000000e-04 -4.0700000000e-03 -1.2840000000e-04 -3.3418000000e-03  4.1322000000e-03  2.3337000000e-03  1.5506200000e-02 -1.8329000000e-03 -1.6660000000e-03 -1.0590300000e-02 -7.7440000000e-04  2.9460000000e-04  3.0394000000e-03  1.9082000000e-03
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0373000000e-02 -4.4832200000e-01  8.4547300000e-01  8.5842600000e-01 -2.1484200000e-01 -3.6493800000e-01  3.0515420000e+00  1.4058550000e+00  8.1226200000e-01  3.8029080000e+00  1.6022520000e+00  2.5270000000e-01  3.0916660000e+00  4.5864200000e-01  9.4420900000e-01
-ENERGY -1.526524877076e+02
-FORCES  4.3392000000e-03 -2.8010000000e-04  2.3045000000e-03  4.4580000000e-04  1.2473000000e-03 -3.5552000000e-03 -3.3900000000e-03 -1.3514000000e-03  1.4519000000e-03  3.8102000000e-03 -1.7864000000e-03 -9.0640000000e-04 -3.6817000000e-03 -1.1085000000e-03  2.2586000000e-03 -1.5235000000e-03  3.2792000000e-03 -1.5534000000e-03
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0863900000e-01 -8.3233000000e-02 -5.0537900000e-01 -8.9475000000e-02 -6.4281300000e-01  7.0357500000e-01  3.5661400000e-01 -1.5329510000e+00  2.0647370000e+00 -2.2547700000e-01 -1.1200540000e+00  2.7026380000e+00  2.2336900000e-01 -2.4723710000e+00  2.1911010000e+00
-ENERGY -1.526571381334e+02
-FORCES  2.7757000000e-03 -1.2138900000e-02  1.2707800000e-02  2.0626000000e-03 -1.7733000000e-03  3.6603000000e-03 -5.1615000000e-03  7.8258000000e-03 -4.6206000000e-03 -1.2232000000e-03  3.0097000000e-03 -5.0520000000e-03  1.7917000000e-03 -2.5062000000e-03 -6.5729000000e-03 -2.4530000000e-04  5.5829000000e-03 -1.2270000000e-04
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1218800000e-01  4.6258000000e-02 -6.3787200000e-01  1.5958700000e-01 -8.1301200000e-01  4.7934900000e-01 -4.4644700000e-01 -1.9319270000e+00  2.0440010000e+00 -1.1748980000e+00 -1.6711620000e+00  2.6075540000e+00 -2.8102800000e-01 -2.8464050000e+00  2.2733440000e+00
-ENERGY -1.526604850980e+02
-FORCES  8.6320000000e-04 -6.2241000000e-03  4.6376000000e-03 -2.0705000000e-03 -1.4926000000e-03  2.7498000000e-03  2.4923000000e-03  6.0438000000e-03 -7.4633000000e-03 -3.7529000000e-03  6.1070000000e-04  2.3086000000e-03  3.4163000000e-03 -3.1191000000e-03 -1.3786000000e-03 -9.4830000000e-04  4.1813000000e-03 -8.5410000000e-04
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2487000000e-01 -4.6348400000e-01 -4.1949700000e-01 -8.0358000000e-02 -4.0966500000e-01  8.6136500000e-01 -1.3354800000e-01 -1.6303260000e+00  2.1063610000e+00 -7.7076600000e-01 -1.8138250000e+00  2.7966610000e+00 -2.6842800000e-01 -2.3269440000e+00  1.4638960000e+00
-ENERGY -1.526582701950e+02
-FORCES  1.6525000000e-03 -8.0885000000e-03  1.4061800000e-02 -2.9851000000e-03 -4.7280000000e-04  1.6073000000e-03  1.9320000000e-04  1.3685000000e-03 -9.0899000000e-03 -3.1440000000e-03  1.8713000000e-03 -4.9209000000e-03  3.0529000000e-03 -3.2070000000e-04 -4.2513000000e-03  1.2306000000e-03  5.6422000000e-03  2.5930000000e-03
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3043300000e-01 -4.2370000000e-03 -4.7602100000e-01  1.0161500000e-01  6.9180800000e-01  6.5368800000e-01 -1.7140450000e+00  9.7372000000e-02 -2.1956130000e+00 -1.3382350000e+00  8.6014600000e-01 -2.6351300000e+00 -1.1836530000e+00 -1.0174000000e-02 -1.4060880000e+00
-ENERGY -1.526599295680e+02
-FORCES  7.0350000000e-04  3.0577000000e-03 -3.8250000000e-04 -5.6899000000e-03  1.3501000000e-03  1.4383000000e-03  9.7480000000e-04 -3.3694000000e-03 -3.7334000000e-03  7.9093000000e-03  2.0184000000e-03  1.0651100000e-02 -2.5720000000e-04 -2.2416000000e-03  1.4322000000e-03 -3.6405000000e-03 -8.1520000000e-04 -9.4058000000e-03
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9249000000e-02 -9.5359500000e-01 -2.4670000000e-02 -8.3082600000e-01  3.1905600000e-01 -3.5236700000e-01 -2.2027200000e-01 -2.6220580000e+00 -2.0376100000e-01  4.1057100000e-01 -3.0326740000e+00 -7.9508500000e-01 -1.7805400000e-01 -3.1479370000e+00  5.9492600000e-01
-ENERGY -1.526600655081e+02
-FORCES -3.5902000000e-03 -1.8175900000e-02 -2.1274000000e-03  1.1835000000e-03  9.1557000000e-03  1.1785000000e-03  1.9459000000e-03 -1.7687000000e-03  7.4560000000e-04  3.2321000000e-03  6.8317000000e-03  9.0890000000e-04 -3.3655000000e-03  1.3876000000e-03  4.1505000000e-03  5.9420000000e-04  2.5695000000e-03 -4.8561000000e-03
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4654700000e-01  4.7355900000e-01 -7.9447400000e-01  6.7378100000e-01  2.3466400000e-01  6.3811000000e-01 -1.8374740000e+00  1.3503370000e+00  1.4824890000e+00 -1.3600540000e+00  9.0211500000e-01  7.8435000000e-01 -1.2008120000e+00  1.4356240000e+00  2.1921510000e+00
-ENERGY -1.526573635923e+02
-FORCES  1.5177000000e-03  4.1033000000e-03  2.6810000000e-03 -2.3078000000e-03 -1.5834000000e-03  5.4137000000e-03 -5.3968000000e-03  3.7540000000e-04 -2.4385000000e-03  1.1734200000e-02 -9.3506000000e-03 -7.7370000000e-03 -5.0365000000e-03  6.8064000000e-03  4.3612000000e-03 -5.1070000000e-04 -3.5100000000e-04 -2.2805000000e-03
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2214800000e-01 -9.1675000000e-02  4.8156100000e-01 -2.2836000000e-02 -7.0252200000e-01 -6.4974900000e-01 -1.2875170000e+00 -3.2212930000e+00  8.1863800000e-01 -1.7577410000e+00 -2.4755130000e+00  4.4589900000e-01 -1.6486570000e+00 -3.9833520000e+00  3.6578600000e-01
-ENERGY -1.526526824980e+02
-FORCES -1.7705000000e-03 -4.1477000000e-03  4.0220000000e-04  2.1823000000e-03 -4.0490000000e-04 -3.0049000000e-03 -1.2911000000e-03  3.8344000000e-03  2.1669000000e-03 -4.0343000000e-03 -1.4842000000e-03 -2.6227000000e-03  3.0157000000e-03 -1.3897000000e-03  1.1776000000e-03  1.8979000000e-03  3.5921000000e-03  1.8809000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5258700000e-01  5.8037000000e-02  5.8862300000e-01  2.0590600000e-01  6.0440100000e-01 -7.1311500000e-01 -1.6523210000e+00  1.8951000000e-01  2.2841710000e+00 -2.6020400000e+00  1.9016900000e-01  2.1647360000e+00 -1.2995130000e+00  7.7367000000e-02  1.4014570000e+00
-ENERGY -1.526615378687e+02
-FORCES  3.1289000000e-03  3.5406000000e-03  7.1150000000e-04 -4.8777000000e-03  1.9840000000e-04 -3.3099000000e-03  1.3680000000e-04 -2.9929000000e-03  3.3602000000e-03  2.2781000000e-03 -8.8520000000e-04 -9.8279000000e-03  3.0939000000e-03  2.2010000000e-04 -7.7150000000e-04 -3.7600000000e-03 -8.1000000000e-05  9.8375000000e-03
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8272200000e-01 -5.7135800000e-01 -5.0021700000e-01  2.8219400000e-01 -5.3515600000e-01  7.4175900000e-01 -1.4294050000e+00 -1.6590810000e+00 -1.7327150000e+00 -1.1546760000e+00 -2.4353360000e+00 -1.2446760000e+00 -1.1060160000e+00 -1.8073870000e+00 -2.6213410000e+00
-ENERGY -1.526585333595e+02
-FORCES -6.6802000000e-03 -6.8346000000e-03 -6.9042000000e-03  5.6352000000e-03  1.7158000000e-03  9.2380000000e-03 -1.7232000000e-03 -8.4000000000e-05 -3.5937000000e-03  4.5803000000e-03 -8.5700000000e-04 -2.9475000000e-03  3.3820000000e-04  6.8895000000e-03 -3.6950000000e-04 -2.1503000000e-03 -8.2970000000e-04  4.5770000000e-03
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5046500000e-01 -2.4325300000e-01 -6.5875200000e-01 -3.8835000000e-02  9.5580300000e-01  3.4117000000e-02 -1.7140870000e+00  1.5049420000e+00 -3.2630870000e+00 -1.9651560000e+00  2.2875470000e+00 -3.7537240000e+00 -2.1524380000e+00  1.6008570000e+00 -2.4175810000e+00
-ENERGY -1.526541459031e+02
-FORCES -1.6744000000e-03  2.6212000000e-03 -3.9215000000e-03  1.6688000000e-03  1.3656000000e-03  4.0086000000e-03 -6.1640000000e-04 -3.7825000000e-03  4.5480000000e-04 -3.4029000000e-03  4.4645000000e-03 -1.7700000000e-04  1.0241000000e-03 -3.3363000000e-03  2.2421000000e-03  3.0009000000e-03 -1.3325000000e-03 -2.6069000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1414200000e-01  9.9996000000e-02  6.2947200000e-01  9.3595000000e-02  7.4796100000e-01 -5.8993800000e-01 -1.6941580000e+00 -1.2333400000e-01  2.1760010000e+00 -1.3129050000e+00 -8.6572800000e-01  2.6447560000e+00 -1.3082900000e+00 -1.6812600000e-01  1.3011690000e+00
-ENERGY -1.526599363205e+02
-FORCES  8.3630000000e-04  4.5304000000e-03  3.2046000000e-03 -4.6737000000e-03 -1.1748000000e-03 -2.8241000000e-03  5.3220000000e-04 -3.5303000000e-03  3.3344000000e-03  6.6201000000e-03 -2.0095000000e-03 -1.1035500000e-02  4.3860000000e-04  2.8763000000e-03 -1.9109000000e-03 -3.7536000000e-03 -6.9200000000e-04  9.2315000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5840600000e-01 -2.4245500000e-01  6.5111400000e-01 -7.9137000000e-02 -7.7205300000e-01 -5.6027000000e-01  2.9180910000e+00 -3.8736800000e-01 -1.2753150000e+00  2.5652360000e+00 -1.4816100000e-01 -4.1828200000e-01  3.6245320000e+00  2.4029200000e-01 -1.4276850000e+00
-ENERGY -1.526532921632e+02
-FORCES  1.1950000000e-03 -5.3878000000e-03 -1.7374000000e-03  7.8170000000e-04  2.4216000000e-03 -4.2908000000e-03 -5.3810000000e-04  3.4455000000e-03  3.6940000000e-03 -8.3700000000e-05  5.6273000000e-03  2.0739000000e-03  1.5940000000e-03 -3.4970000000e-03 -5.4570000000e-04 -2.9489000000e-03 -2.6097000000e-03  8.0610000000e-04
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9440400000e-01  4.0013000000e-01  3.5362400000e-01 -1.6233100000e-01 -9.4192700000e-01  5.1526000000e-02 -1.6254370000e+00  1.9162580000e+00  1.0704310000e+00 -1.2713010000e+00  2.6075360000e+00  5.1100900000e-01 -2.5738080000e+00  1.9770860000e+00  9.5587200000e-01
-ENERGY -1.526603292744e+02
-FORCES -7.8589000000e-03  6.2572000000e-03  6.1848000000e-03  5.3253000000e-03 -7.5750000000e-03 -6.0605000000e-03 -1.4321000000e-03  3.6914000000e-03  6.7000000000e-04  1.9640000000e-03  2.9954000000e-03 -3.3512000000e-03 -3.2038000000e-03 -3.9827000000e-03  2.8242000000e-03  5.2055000000e-03 -1.3862000000e-03 -2.6730000000e-04
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0821000000e-02  8.0411400000e-01 -5.1914900000e-01 -7.9033100000e-01  5.0781000000e-02  5.3761500000e-01  1.1131850000e+00  3.0497450000e+00  4.6045900000e-01  1.4815470000e+00  3.9028370000e+00  2.3073000000e-01  1.3148950000e+00  2.9437270000e+00  1.3901390000e+00
-ENERGY -1.526573518561e+02
-FORCES -1.9839000000e-03  6.2525000000e-03 -3.1910000000e-04 -1.8631000000e-03 -6.2254000000e-03  4.4020000000e-04  2.9650000000e-03 -5.8870000000e-04 -1.4832000000e-03  3.5114000000e-03  2.4961000000e-03  4.0663000000e-03 -1.5460000000e-03 -3.7669000000e-03  1.0659000000e-03 -1.0833000000e-03  1.8324000000e-03 -3.7702000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1430000000e-02 -3.0989300000e-01  9.0418600000e-01 -7.1449500000e-01 -5.0603800000e-01 -3.8685300000e-01  3.0207700000e-01 -2.0118740000e+00  1.7859820000e+00 -4.9079500000e-01 -2.0226080000e+00  2.3221440000e+00  1.8298000000e-01 -2.7322240000e+00  1.1669960000e+00
-ENERGY -1.526549650555e+02
-FORCES  4.8430000000e-04 -1.3308700000e-02  1.0164100000e-02 -3.3709000000e-03  7.0940000000e-03 -1.8250000000e-03  1.8230000000e-03  8.0290000000e-04  4.8830000000e-04 -1.4298000000e-03 -8.2280000000e-04 -7.3572000000e-03  3.4235000000e-03  3.0733000000e-03 -5.1848000000e-03 -9.3010000000e-04  3.1613000000e-03  3.7146000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6778200000e-01 -3.1039300000e-01  6.1151800000e-01 -5.2484000000e-02  9.5437400000e-01  5.1458000000e-02 -1.8713000000e-02  2.5762400000e+00 -3.4169200000e-01 -1.3595300000e-01  3.1003450000e+00 -1.1340310000e+00  7.3160000000e-01  2.9737680000e+00  1.0016000000e-01
-ENERGY -1.526580463239e+02
-FORCES -1.9151000000e-03  1.7263600000e-02 -2.9811000000e-03  1.5705000000e-03  3.1200000000e-03 -1.6553000000e-03  2.0968000000e-03 -6.7185000000e-03  5.4829000000e-03  4.7080000000e-04 -1.0572000000e-02 -3.1330000000e-03  1.9419000000e-03 -1.8370000000e-04  4.9125000000e-03 -4.1648000000e-03 -2.9094000000e-03 -2.6260000000e-03
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2330000000e-03  9.4780500000e-01 -1.3367700000e-01 -1.1069400000e-01 -3.6554500000e-01 -8.7769900000e-01 -1.3773900000e-01  2.5866190000e+00  1.4227400000e-01 -4.6046100000e-01  3.1209720000e+00  8.6791200000e-01  5.5120000000e-03  3.2101250000e+00 -5.6973100000e-01
-ENERGY -1.526574732049e+02
-FORCES -1.6060000000e-03  1.7166400000e-02  7.8610000000e-04  1.3831000000e-03 -7.0429000000e-03 -3.5367000000e-03  4.1300000000e-04  3.7135000000e-03  1.7606000000e-03 -9.3280000000e-04 -1.0529700000e-02  2.3383000000e-03  2.0313000000e-03  7.6600000000e-05 -5.0675000000e-03 -1.2885000000e-03 -3.3838000000e-03  3.7192000000e-03
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7975800000e-01 -7.3242000000e-01 -5.8947400000e-01  9.5147700000e-01 -3.9370000000e-03  1.0443800000e-01 -1.6143040000e+00  1.8405500000e+00 -1.3691390000e+00 -1.1321040000e+00  1.4537510000e+00 -6.3831700000e-01 -1.5377480000e+00  2.7850750000e+00 -1.2340720000e+00
-ENERGY -1.526608851022e+02
-FORCES  1.6747000000e-03 -1.3607000000e-03 -5.1300000000e-03  1.8515000000e-03  3.1643000000e-03  3.6020000000e-03 -4.1548000000e-03 -6.6000000000e-04 -7.1870000000e-04  6.3599000000e-03 -3.9432000000e-03  6.4864000000e-03 -6.7375000000e-03  6.1870000000e-03 -4.6568000000e-03  1.0063000000e-03 -3.3874000000e-03  4.1700000000e-04
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9635800000e-01 -4.5099000000e-02 -6.5519700000e-01  5.1426000000e-02 -8.3628900000e-01  4.6282700000e-01  1.3259370000e+00 -2.2631900000e-01 -2.3280080000e+00  1.0570120000e+00  5.2663800000e-01 -2.8542850000e+00  7.9992800000e-01 -9.5285800000e-01 -2.6622060000e+00
-ENERGY -1.526594765718e+02
-FORCES  9.8684000000e-03 -2.1832000000e-03 -1.2009200000e-02 -5.5807000000e-03  2.9720000000e-04  8.7054000000e-03  2.6020000000e-04  1.7222000000e-03 -3.2977000000e-03 -8.5550000000e-03  9.0240000000e-04  1.8445000000e-03  1.1042000000e-03 -4.3317000000e-03  2.6263000000e-03  2.9029000000e-03  3.5931000000e-03  2.1307000000e-03
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8797700000e-01 -7.2448800000e-01 -4.9073700000e-01  5.2027500000e-01  7.6404800000e-01 -2.4855000000e-01  1.7619490000e+00  4.9412000000e-02  2.1830120000e+00  9.9514900000e-01 -1.0285100000e-01  1.6306850000e+00  1.6623330000e+00  9.5101200000e-01  2.4886680000e+00
-ENERGY -1.526596624046e+02
-FORCES  6.1122000000e-03  5.2860000000e-04 -3.4720000000e-03 -1.6497000000e-03  3.9133000000e-03  3.6245000000e-03 -2.5547000000e-03 -3.9421000000e-03  3.4975000000e-03 -1.0595300000e-02  9.5530000000e-04 -6.7748000000e-03  8.4257000000e-03  9.4280000000e-04  5.6653000000e-03  2.6180000000e-04 -2.3979000000e-03 -2.5405000000e-03
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1231700000e-01 -1.9860900000e-01 -6.0777600000e-01 -1.9514000000e-02  9.5604900000e-01  4.2674000000e-02 -1.4172230000e+00  1.2009380000e+00  2.3058120000e+00 -1.9017460000e+00  5.9808100000e-01  1.7418680000e+00 -1.9523850000e+00  1.2727500000e+00  3.0961770000e+00
-ENERGY -1.526573306715e+02
-FORCES  3.5884000000e-03  4.0406000000e-03 -2.2730000000e-04 -2.4475000000e-03  1.2087000000e-03  2.7187000000e-03 -5.2930000000e-04 -5.1140000000e-03 -2.9477000000e-03 -3.1310000000e-03 -4.3464000000e-03  4.6780000000e-04  3.9400000000e-04  5.1533000000e-03  3.1208000000e-03  2.1254000000e-03 -9.4210000000e-04 -3.1324000000e-03
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1590200000e-01 -8.9265600000e-01 -2.6978500000e-01  9.5680000000e-01  2.7291000000e-02 -4.5270000000e-03 -1.7303860000e+00  1.5032940000e+00 -1.5746070000e+00 -2.5397700000e+00  1.2244470000e+00 -1.1463850000e+00 -1.0500300000e+00  9.5725100000e-01 -1.1806730000e+00
-ENERGY -1.526598856400e+02
-FORCES  2.0842000000e-03 -6.4550000000e-04 -1.0260000000e-03  2.3570000000e-04  6.2223000000e-03  8.9400000000e-05 -5.1291000000e-03 -1.1446000000e-03 -2.0480000000e-04  6.9397000000e-03 -6.4933000000e-03  1.0105100000e-02  2.2938000000e-03 -7.1800000000e-05 -1.5286000000e-03 -6.4243000000e-03  2.1328000000e-03 -7.4351000000e-03
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9797000000e-02  8.3516300000e-01 -4.6727200000e-01 -2.0543100000e-01 -6.4749600000e-01 -6.7437300000e-01 -1.4753150000e+00 -2.1145400000e-01  2.2612430000e+00 -1.1245760000e+00  4.4594600000e-01  2.8621070000e+00 -1.1412220000e+00  4.6184000000e-02  1.4020360000e+00
-ENERGY -1.526590560668e+02
-FORCES -1.9501000000e-03 -2.4800000000e-03  9.2400000000e-05 -1.3647000000e-03 -4.4399000000e-03  3.7210000000e-03  9.4390000000e-04  4.5163000000e-03  3.0845000000e-03  1.0163200000e-02  2.2976000000e-03 -1.1180900000e-02 -7.2080000000e-04 -1.1932000000e-03 -2.6037000000e-03 -7.0715000000e-03  1.2991000000e-03  6.8866000000e-03
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6961400000e-01 -4.9436600000e-01 -2.8200800000e-01 -7.1769000000e-02 -1.8160700000e-01  9.3707000000e-01  1.5436130000e+00  1.2254110000e+00  2.7626710000e+00  1.7848870000e+00  1.9641540000e+00  2.2038520000e+00  5.8652400000e-01  1.2352150000e+00  2.7734760000e+00
-ENERGY -1.526554261672e+02
-FORCES  5.1910000000e-03 -3.6654000000e-03  3.5750000000e-03 -3.5636000000e-03  1.8870000000e-03  2.0500000000e-05 -2.1511000000e-03  2.1266000000e-03 -2.9015000000e-03 -2.6116000000e-03  5.2714000000e-03 -3.3081000000e-03 -3.1790000000e-04 -2.9604000000e-03  3.3393000000e-03  3.4532000000e-03 -2.6591000000e-03 -7.2520000000e-04
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7722000000e-02 -7.1440400000e-01  6.3646700000e-01 -7.6368000000e-01 -1.9270200000e-01 -5.4395900000e-01 -1.4197810000e+00  1.4326930000e+00 -3.2058870000e+00 -1.5787460000e+00  8.1175600000e-01 -3.9168010000e+00 -4.7608100000e-01  1.5907700000e+00 -3.2318470000e+00
-ENERGY -1.526564355782e+02
-FORCES -3.9556000000e-03 -2.9324000000e-03  2.1650000000e-04 -2.0080000000e-04  2.7354000000e-03 -2.6746000000e-03  4.3068000000e-03 -7.7330000000e-04  3.5044000000e-03  3.8743000000e-03 -2.4070000000e-04 -4.0010000000e-03  5.7220000000e-04  2.1906000000e-03  3.4456000000e-03 -4.5969000000e-03 -9.7960000000e-04 -4.9090000000e-04
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7349700000e-01  1.5667700000e-01 -5.4165100000e-01 -7.0357000000e-01  4.7377300000e-01 -4.4357700000e-01  1.7728000000e-02  1.6593030000e+00  2.2750910000e+00 -1.1291300000e-01  8.7740200000e-01  1.7386250000e+00 -9.5847000000e-02  2.3894960000e+00  1.6666910000e+00
-ENERGY -1.526583120645e+02
-FORCES  2.5964000000e-03  4.0039000000e-03 -1.9962000000e-03 -4.7041000000e-03 -2.4410000000e-04  1.6998000000e-03  4.1782000000e-03 -6.8900000000e-04  3.9835000000e-03  5.3930000000e-04 -6.5548000000e-03 -1.1992900000e-02 -2.5532000000e-03  4.9442000000e-03  6.8859000000e-03 -5.6500000000e-05 -1.4603000000e-03  1.4198000000e-03
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4579500000e-01 -6.0070400000e-01  3.7193500000e-01  1.2936900000e-01 -3.1135100000e-01 -8.9585500000e-01  1.7117590000e+00 -1.7656580000e+00  1.5273030000e+00  1.4903090000e+00 -1.1163280000e+00  8.5979800000e-01  2.6604120000e+00 -1.8705910000e+00  1.4546440000e+00
-ENERGY -1.526602098995e+02
-FORCES -6.0736000000e-03 -3.0237000000e-03 -1.0440000000e-03  4.4664000000e-03  3.0878000000e-03 -2.6720000000e-03  1.5626000000e-03  5.1760000000e-04  5.6563000000e-03 -1.2467000000e-03  6.8530000000e-03 -4.1624000000e-03  4.8635000000e-03 -8.7690000000e-03  3.3351000000e-03 -3.5723000000e-03  1.3343000000e-03 -1.1129000000e-03
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7529800000e-01 -2.2264000000e-01 -6.4080900000e-01  3.3207800000e-01  7.8492500000e-01  4.3571800000e-01 -1.5666200000e+00  7.0233300000e-01 -2.2076860000e+00 -1.1904070000e+00  1.4660480000e+00 -2.6452180000e+00 -1.1168780000e+00  6.6356800000e-01 -1.3636120000e+00
-ENERGY -1.526590203509e+02
-FORCES  4.3935000000e-03 -7.9920000000e-04 -1.2651000000e-03 -4.8103000000e-03  3.5014000000e-03  2.8789000000e-03 -2.8671000000e-03 -3.1445000000e-03 -4.7112000000e-03  5.7425000000e-03 -1.0016000000e-03  1.0305700000e-02  3.3300000000e-04 -2.8930000000e-03  2.7659000000e-03 -2.7915000000e-03  4.3369000000e-03 -9.9742000000e-03
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9192800000e-01  3.4138700000e-01  8.7341300000e-01 -7.1939500000e-01  5.4543800000e-01 -3.1811900000e-01 -1.8767000000e-02  1.5766610000e+00  2.3823310000e+00  8.2488200000e-01  1.5650400000e+00  2.8343860000e+00  7.3753000000e-02  2.2606050000e+00  1.7190870000e+00
-ENERGY -1.526582067253e+02
-FORCES -3.9530000000e-03  5.7159000000e-03  1.0720800000e-02  3.3067000000e-03 -1.8632000000e-03 -8.6472000000e-03  2.9840000000e-03 -4.8890000000e-04  4.3830000000e-04  2.6295000000e-03  4.1226000000e-03 -1.0130000000e-04 -4.2864000000e-03 -9.4660000000e-04 -3.9468000000e-03 -6.8070000000e-04 -6.5399000000e-03  1.5361000000e-03
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5372000000e-02 -7.0491800000e-01  6.4315000000e-01 -1.4929000000e-02  8.0150800000e-01  5.2306200000e-01 -2.8325700000e-01 -1.5545560000e+00  2.3993120000e+00 -1.0822260000e+00 -1.1164010000e+00  2.6923990000e+00 -5.1611400000e-01 -2.4824710000e+00  2.3679530000e+00
-ENERGY -1.526603070090e+02
-FORCES  8.1190000000e-04 -4.3905000000e-03  1.1313300000e-02  9.9000000000e-06  4.1344000000e-03 -8.5084000000e-03 -9.8310000000e-04 -1.9184000000e-03 -1.6321000000e-03 -4.9635000000e-03 -8.3210000000e-04  8.6420000000e-04  4.3578000000e-03 -1.9941000000e-03 -1.6630000000e-03  7.6710000000e-04  5.0006000000e-03 -3.7400000000e-04
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5701000000e-01  1.3847000000e-02 -1.3116000000e-02 -2.5413300000e-01  9.2113500000e-01 -5.6204000000e-02 -1.5609360000e+00 -2.3564200000e-01  2.1720880000e+00 -1.6226190000e+00 -1.0435000000e+00  2.6817870000e+00 -9.3707500000e-01 -4.3867900000e-01  1.4750910000e+00
-ENERGY -1.526607973913e+02
-FORCES -1.1959000000e-03  4.4792000000e-03  4.0283000000e-03 -4.8220000000e-03  4.1870000000e-04  3.2290000000e-04  2.4425000000e-03 -5.4296000000e-03  4.7790000000e-04  8.0877000000e-03 -1.5728000000e-03 -1.0571800000e-02  2.0307000000e-03  1.8025000000e-03 -2.8852000000e-03 -6.5431000000e-03  3.0190000000e-04  8.6279000000e-03
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6840900000e-01 -6.9160200000e-01 -5.4972200000e-01 -3.4257400000e-01  8.1183300000e-01 -3.7390200000e-01  9.0080800000e-01 -3.0018310000e+00 -5.4899700000e-01  9.5706500000e-01 -2.3123750000e+00 -1.2105990000e+00  8.6792700000e-01 -3.8153400000e+00 -1.0523410000e+00
-ENERGY -1.526537509727e+02
-FORCES -4.2370000000e-03 -1.2940000000e-04 -1.6378000000e-03  3.9016000000e-03  3.9713000000e-03 -7.4300000000e-04  1.6463000000e-03 -3.8606000000e-03  1.4945000000e-03  2.7065000000e-03 -1.1600000000e-03 -4.1951000000e-03 -4.1554000000e-03 -2.6885000000e-03  2.7611000000e-03  1.3790000000e-04  3.8672000000e-03  2.3202000000e-03
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2377300000e-01 -2.9183600000e-01  5.5427200000e-01  5.8063000000e-02 -6.6316900000e-01 -6.8779900000e-01  1.4806740000e+00  1.5384400000e-01  2.0339430000e+00  1.3243900000e+00 -7.3101300000e-01  2.3638440000e+00  1.1404920000e+00  1.3999900000e-01  1.1393390000e+00
-ENERGY -1.526541873715e+02
-FORCES  7.2693000000e-03 -7.9020000000e-04  1.4219000000e-02  5.5038000000e-03 -3.7790000000e-04 -3.1972000000e-03 -3.8700000000e-04  2.5125000000e-03  5.7068000000e-03 -1.2917500000e-02 -3.4779000000e-03 -2.2053100000e-02 -1.5554000000e-03  2.1083000000e-03 -1.7215000000e-03  2.0868000000e-03  2.5300000000e-05  7.0460000000e-03
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6320200000e-01 -8.8174800000e-01  8.2683000000e-02  1.9665000000e-02  3.5206900000e-01  8.8988300000e-01  2.8159900000e-01  1.6528790000e+00  1.9239270000e+00  1.5187600000e-01  2.3508350000e+00  1.2818510000e+00 -4.9935100000e-01  1.6868230000e+00  2.4763740000e+00
-ENERGY -1.526571838047e+02
-FORCES  3.8812000000e-03  1.2027600000e-02  1.6813800000e-02 -7.9790000000e-04  3.5172000000e-03  2.7238000000e-03 -4.3758000000e-03 -5.7015000000e-03 -7.0835000000e-03 -1.8346000000e-03 -2.7611000000e-03 -1.1854500000e-02 -4.9940000000e-04 -4.3785000000e-03  4.6696000000e-03  3.6264000000e-03 -2.7036000000e-03 -5.2692000000e-03
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.6405000000e-02 -3.5516300000e-01  8.8362700000e-01 -6.9374600000e-01 -5.2723500000e-01 -3.9619600000e-01  2.8007900000e-01 -1.6692480000e+00  2.1067890000e+00  8.2795200000e-01 -1.8942780000e+00  2.8587390000e+00  4.3614100000e-01 -2.3729720000e+00  1.4769900000e+00
-ENERGY -1.526589964308e+02
-FORCES -1.0795000000e-03 -7.4468000000e-03  1.2012400000e-02 -8.8290000000e-04  2.5569000000e-03 -8.0720000000e-03  2.9991000000e-03  2.2400000000e-05  1.2031000000e-03  2.8586000000e-03  9.4570000000e-04 -3.9444000000e-03 -2.3673000000e-03 -3.4850000000e-04 -4.4086000000e-03 -1.5280000000e-03  4.2703000000e-03  3.2095000000e-03
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5186100000e-01 -9.2903000000e-02 -3.9526000000e-02  1.9780600000e-01  4.8040000000e-02  9.3530600000e-01 -2.5787580000e+00 -1.3709000000e-01 -1.8676200000e-01 -2.7129550000e+00  6.9599800000e-01 -6.3863300000e-01 -3.2155800000e+00 -7.3099200000e-01 -5.8421600000e-01
-ENERGY -1.526582223476e+02
-FORCES -1.9299200000e-02 -3.6440000000e-03  6.2200000000e-04  6.7078000000e-03  6.1047000000e-03 -2.7310000000e-04 -2.0173000000e-03 -1.4070000000e-04 -2.3327000000e-03  1.0684500000e-02 -1.4163000000e-03 -1.8037000000e-03  2.0048000000e-03 -5.7940000000e-03  2.3424000000e-03  1.9194000000e-03  4.8903000000e-03  1.4451000000e-03
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6833900000e-01 -1.7821800000e-01 -5.4233400000e-01  7.4447200000e-01 -1.3992800000e-01 -5.8516200000e-01 -1.7509950000e+00 -2.0331300000e-01 -2.1184600000e+00 -1.4981120000e+00 -9.6203600000e-01 -2.6444090000e+00 -2.7042290000e+00 -1.6431300000e-01 -2.1962830000e+00
-ENERGY -1.526592535133e+02
-FORCES -7.3750000000e-03 -1.7000000000e-06 -1.2575400000e-02  5.0033000000e-03 -1.3261000000e-03  7.2007000000e-03 -1.6804000000e-03 -4.7020000000e-04  1.5794000000e-03 -9.3800000000e-05 -1.3077000000e-03  2.9520000000e-04 -9.7380000000e-04  4.0609000000e-03  3.4317000000e-03  5.1198000000e-03 -9.5530000000e-04  6.8500000000e-05
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9520900000e-01  2.0153300000e-01  4.9321300000e-01 -6.8869100000e-01  4.9694600000e-01  4.4156700000e-01 -1.5445090000e+00 -1.3787900000e+00  3.0215640000e+00 -1.9318060000e+00 -6.6257200000e-01  3.5248180000e+00 -1.7587570000e+00 -2.1665450000e+00  3.5213340000e+00
-ENERGY -1.526538724515e+02
-FORCES -5.0640000000e-04  1.0558000000e-03  5.8523000000e-03 -2.5727000000e-03 -1.2930000000e-04 -2.5847000000e-03  2.8428000000e-03 -2.3510000000e-04 -2.7281000000e-03 -2.6984000000e-03 -1.8352000000e-03  4.2231000000e-03  2.0171000000e-03 -2.3607000000e-03 -2.8682000000e-03  9.1750000000e-04  3.5046000000e-03 -1.8944000000e-03
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1327400000e-01  7.0061000000e-02  9.0176600000e-01 -5.5380300000e-01 -6.7354800000e-01 -3.9480100000e-01 -1.5147560000e+00 -1.6606170000e+00 -1.5970750000e+00 -1.4127790000e+00 -2.6109130000e+00 -1.5444310000e+00 -1.5615230000e+00 -1.4758690000e+00 -2.5351120000e+00
-ENERGY -1.526610453103e+02
-FORCES -7.9830000000e-03 -6.9692000000e-03 -5.7733000000e-03  1.1640000000e-04 -1.5429000000e-03 -3.1365000000e-03  5.5964000000e-03  4.6495000000e-03  7.6717000000e-03  3.0045000000e-03  1.8083000000e-03 -2.5477000000e-03 -3.2630000000e-04  4.9915000000e-03 -3.2120000000e-04 -4.0790000000e-04 -2.9372000000e-03  4.1070000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7994800000e-01 -7.2718000000e-01 -5.5594100000e-01  5.0300800000e-01 -1.0760200000e-01  8.0724000000e-01  1.6075300000e+00 -1.2340400000e-01  2.0764220000e+00  1.7073830000e+00 -6.9998200000e-01  2.8339310000e+00  1.4261740000e+00  7.3787500000e-01  2.4526400000e+00
-ENERGY -1.526586654809e+02
-FORCES  1.2712800000e-02 -4.3036000000e-03  1.3069500000e-02 -5.7530000000e-04  1.2668000000e-03  1.9877000000e-03 -5.5322000000e-03  4.9385000000e-03 -4.9261000000e-03 -6.0133000000e-03  2.2090000000e-04 -4.1764000000e-03  8.2000000000e-06  4.0536000000e-03 -3.3902000000e-03 -6.0010000000e-04 -6.1760000000e-03 -2.5644000000e-03
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0507700000e-01  7.3112000000e-01  4.6648500000e-01  4.2736400000e-01 -4.5020000000e-03 -8.5648800000e-01  1.9514230000e+00  1.4690100000e-01 -1.9690250000e+00  2.6896610000e+00  1.4822900000e-01 -1.3597350000e+00  2.0502100000e+00  9.5806300000e-01 -2.4675110000e+00
-ENERGY -1.526592210480e+02
-FORCES  9.9941000000e-03  3.0859000000e-03 -9.7855000000e-03 -4.9100000000e-04 -2.0601000000e-03 -7.8240000000e-04 -6.6345000000e-03 -5.6510000000e-04  6.2571000000e-03  1.8940000000e-03  1.7558000000e-03  3.5212000000e-03 -4.1556000000e-03  1.4797000000e-03 -3.0892000000e-03 -6.0710000000e-04 -3.6961000000e-03  3.8788000000e-03
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3121900000e-01  2.9766800000e-01  6.5512500000e-01 -1.1744700000e-01 -9.4941400000e-01 -3.2423000000e-02 -1.6359660000e+00  1.5177970000e+00  1.9688380000e+00 -2.5906210000e+00  1.4509450000e+00  1.9489330000e+00 -1.4075040000e+00  1.4164070000e+00  2.8928280000e+00
-ENERGY -1.526608356823e+02
-FORCES -5.2029000000e-03  2.0566000000e-03  5.5703000000e-03  5.2738000000e-03 -6.8464000000e-03 -6.8565000000e-03 -3.0300000000e-04  3.3622000000e-03  8.5840000000e-04 -2.8796000000e-03  1.9142000000e-03  4.6423000000e-03  4.9910000000e-03 -4.9580000000e-04  4.0440000000e-04 -1.8794000000e-03  9.2000000000e-06 -4.6189000000e-03
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8612900000e-01 -3.4517200000e-01 -8.0498000000e-01 -3.2781000000e-02  9.5068500000e-01 -1.0655800000e-01 -1.6471900000e-01 -1.5661920000e+00 -2.1661300000e+00 -9.2030800000e-01 -1.8584720000e+00 -2.6759230000e+00  5.2868500000e-01 -1.4423270000e+00 -2.8142660000e+00
-ENERGY -1.526584634879e+02
-FORCES -1.6175000000e-03 -6.4845000000e-03 -1.1085400000e-02 -1.7260000000e-03  6.5309000000e-03  7.0197000000e-03  1.8480000000e-04 -3.6750000000e-03 -1.6112000000e-03  3.8904000000e-03  1.8761000000e-03  7.1000000000e-04  3.8712000000e-03  2.8252000000e-03  2.9787000000e-03 -4.6029000000e-03 -1.0727000000e-03  1.9882000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4060400000e-01 -6.8062400000e-01 -6.2856400000e-01  7.2472100000e-01  1.6418000000e-02  6.2509400000e-01  1.7575480000e+00  2.6698400000e-01  2.0469630000e+00  2.7048190000e+00  2.2599500000e-01  2.1782240000e+00  1.4015220000e+00 -3.6875600000e-01  2.6676990000e+00
-ENERGY -1.526601116553e+02
-FORCES  1.0702900000e-02  1.1552000000e-03  8.1300000000e-03  5.1800000000e-04  1.8056000000e-03  2.8983000000e-03 -8.0708000000e-03 -3.5567000000e-03 -5.5948000000e-03 -7.5410000000e-04 -1.4277000000e-03 -1.0821000000e-03 -5.0192000000e-03 -7.4590000000e-04  3.8980000000e-04  2.6231000000e-03  2.7695000000e-03 -4.7413000000e-03
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2170700000e-01  7.1675300000e-01  4.7398300000e-01 -9.3309600000e-01  1.0596300000e-01  1.8529900000e-01  1.3907400000e-01 -2.8424380000e+00  4.2661800000e-01 -7.5816900000e-01 -3.1562800000e+00  5.3926700000e-01  5.1080000000e-02 -1.8944400000e+00  3.2767800000e-01
-ENERGY -1.526596534607e+02
-FORCES  2.9430000000e-04  3.8573000000e-03  2.7025000000e-03 -3.2613000000e-03 -2.6829000000e-03 -2.6422000000e-03  5.2622000000e-03 -3.1988000000e-03  1.1100000000e-05 -1.1668000000e-03  9.5625000000e-03 -1.6178000000e-03  2.3683000000e-03  2.6095000000e-03 -4.1230000000e-04 -3.4967000000e-03 -1.0147500000e-02  1.9588000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4388900000e-01  3.5806200000e-01 -4.8441000000e-01  1.0284200000e-01 -9.4912400000e-01 -6.9418000000e-02 -1.2423700000e-01  1.6509130000e+00  2.1166580000e+00 -1.9072000000e-01  2.4533710000e+00  1.5990930000e+00 -1.5419100000e-01  9.4538700000e-01  1.4704630000e+00
-ENERGY -1.526594039461e+02
-FORCES  2.9756000000e-03  2.2798000000e-03  4.0290000000e-03 -4.2192000000e-03 -1.9530000000e-03  2.6496000000e-03  4.9330000000e-04  5.1890000000e-03 -2.3260000000e-04 -1.1842000000e-03 -9.0489000000e-03 -1.3797200000e-02  1.2285000000e-03 -2.3276000000e-03  6.5480000000e-04  7.0610000000e-04  5.8608000000e-03  6.6964000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3942400000e-01 -1.1589600000e-01  5.9670100000e-01 -7.6866900000e-01  1.3915000000e-02  5.7025100000e-01 -1.9979250000e+00 -4.7892300000e-01  2.3850870000e+00 -1.6623720000e+00 -1.1522380000e+00  2.9769340000e+00 -2.9424730000e+00 -4.7225700000e-01  2.5400560000e+00
-ENERGY -1.526602349881e+02
-FORCES -3.1239000000e-03 -6.5450000000e-04  7.5773000000e-03 -1.7468000000e-03 -5.1000000000e-05 -2.1894000000e-03  5.5436000000e-03  1.3258000000e-03 -6.7239000000e-03 -3.2936000000e-03 -3.3406000000e-03  3.7471000000e-03 -1.6977000000e-03  3.2502000000e-03 -2.3281000000e-03  4.3183000000e-03 -5.2980000000e-04 -8.3100000000e-05
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3270600000e-01  1.6250100000e-01 -1.4101400000e-01 -2.7407000000e-02 -6.3603500000e-01  7.1480000000e-01  2.8804050000e+00  1.8545100000e+00  7.1806000000e-01  3.6334870000e+00  2.1205180000e+00  1.9048200000e-01  3.0393860000e+00  9.3136900000e-01  9.1495600000e-01
-ENERGY -1.526539794447e+02
-FORCES  3.8285000000e-03  4.9370000000e-04  2.3675000000e-03 -3.6037000000e-03 -4.1713000000e-03  6.9600000000e-04  7.2720000000e-04  2.4627000000e-03 -2.8804000000e-03  5.6111000000e-03 -5.0250000000e-04 -1.2320000000e-04 -3.5893000000e-03 -1.4122000000e-03  2.4582000000e-03 -2.9738000000e-03  3.1296000000e-03 -2.5181000000e-03
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0969100000e-01  2.4492400000e-01  9.0126200000e-01  1.1262300000e-01 -9.5009300000e-01  2.9515000000e-02  1.9983290000e+00  1.5800560000e+00 -1.0696140000e+00  1.6117690000e+00  1.6289010000e+00 -1.9439230000e+00  1.5002660000e+00  8.9414900000e-01 -6.2498400000e-01
-ENERGY -1.526604022076e+02
-FORCES  1.1250000000e-04  8.7150000000e-04  2.3932000000e-03  1.6660000000e-03 -2.3040000000e-03 -4.7432000000e-03  4.2380000000e-04  5.6570000000e-03 -1.2090000000e-04 -1.2280100000e-02 -7.9803000000e-03  2.6595000000e-03  1.6121000000e-03 -8.1900000000e-05  1.9065000000e-03  8.4657000000e-03  3.8378000000e-03 -2.0951000000e-03
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0283300000e-01 -1.0807000000e-01  5.0991400000e-01 -1.6579000000e-02 -7.2097700000e-01 -6.2940300000e-01 -1.6830410000e+00 -9.6477000000e-02  2.1289440000e+00 -1.2812970000e+00  5.7943100000e-01  2.6748220000e+00 -2.5686640000e+00 -1.9276600000e-01  2.4791340000e+00
-ENERGY -1.526605996440e+02
-FORCES -8.2886000000e-03 -3.0068000000e-03  7.7198000000e-03  6.1331000000e-03  1.2268000000e-03 -7.0345000000e-03 -1.2539000000e-03  1.7886000000e-03  2.4720000000e-03  2.6042000000e-03  2.5905000000e-03 -2.6880000000e-04 -3.7788000000e-03 -3.4067000000e-03 -2.1440000000e-03  4.5840000000e-03  8.0760000000e-04 -7.4450000000e-04
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0953100000e-01  9.4751000000e-02 -7.3193300000e-01  3.2113800000e-01 -7.6165500000e-01  4.8268300000e-01 -1.3445850000e+00 -2.9795660000e+00 -8.2391700000e-01 -1.7104250000e+00 -2.2384430000e+00 -3.4108300000e-01 -4.0078000000e-01 -2.9201070000e+00 -6.7583400000e-01
-ENERGY -1.526543883197e+02
-FORCES  4.9990000000e-03 -8.2480000000e-04 -1.6983000000e-03 -2.4814000000e-03 -8.5360000000e-04  3.7390000000e-03 -2.9682000000e-03  1.4489000000e-03 -3.3001000000e-03  1.7387000000e-03  5.9308000000e-03  1.7866000000e-03  1.1417000000e-03 -5.4430000000e-03 -8.9840000000e-04 -2.4298000000e-03 -2.5820000000e-04  3.7120000000e-04
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6323000000e-02 -4.1142000000e-01  8.6411800000e-01  6.6774500000e-01 -4.8551100000e-01 -4.8438400000e-01 -2.5610100000e-01  2.6958270000e+00 -1.9892000000e-02 -9.9242900000e-01  3.0367850000e+00 -5.2763400000e-01 -3.0124000000e-01  1.7471480000e+00 -1.3906100000e-01
-ENERGY -1.526610719474e+02
-FORCES  2.5814000000e-03  4.0930000000e-03  1.8930000000e-03  8.4800000000e-04  6.9170000000e-04 -4.8881000000e-03 -3.3170000000e-03  1.1632000000e-03  3.3225000000e-03  1.5560000000e-04 -1.3094200000e-02 -9.6020000000e-04  2.0663000000e-03 -2.7615000000e-03  1.1326000000e-03 -2.3343000000e-03  9.9078000000e-03 -4.9970000000e-04
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0919400000e-01  9.4940300000e-01  5.4242000000e-02 -1.1065300000e-01 -2.8112400000e-01  9.0827100000e-01  3.3733150000e+00  1.6530180000e+00 -1.8342500000e-01  2.8432240000e+00  1.6639580000e+00 -9.8036600000e-01  4.2775650000e+00  1.6790900000e+00 -4.9628900000e-01
-ENERGY -1.526549184365e+02
-FORCES  1.0975000000e-03  2.5767000000e-03  5.3467000000e-03 -8.3670000000e-04 -3.6927000000e-03 -1.5894000000e-03 -3.9880000000e-04  8.8710000000e-04 -3.7023000000e-03  1.9597000000e-03 -1.0334000000e-03 -5.0120000000e-03  1.8204000000e-03  1.3533000000e-03  3.6786000000e-03 -3.6421000000e-03 -9.1000000000e-05  1.2784000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7185000000e-02  3.6782200000e-01 -8.8244700000e-01  6.3269000000e-02 -9.4522200000e-01 -1.3705400000e-01  1.6201200000e-01  1.3507580000e+00 -2.5221220000e+00  9.1654700000e-01  1.4328690000e+00 -3.1053600000e+00  1.5343900000e-01  2.1682490000e+00 -2.0242610000e+00
-ENERGY -1.526607874433e+02
-FORCES  6.6670000000e-04  4.7630000000e-04 -1.0901500000e-02 -1.7636000000e-03 -3.6850000000e-04  9.9871000000e-03  1.4230000000e-04  2.7676000000e-03  1.4120000000e-04  4.5890000000e-03  2.6564000000e-03 -1.7970000000e-04 -3.8362000000e-03  7.6370000000e-04  2.3725000000e-03  2.0190000000e-04 -6.2954000000e-03 -1.4197000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0059300000e-01  3.0791700000e-01 -1.0174000000e-01  2.7165000000e-01  3.3130900000e-01  8.5596300000e-01  6.4095900000e-01 -2.7438630000e+00  1.4734620000e+00  2.4051300000e-01 -1.9808960000e+00  1.8903020000e+00  1.5811590000e+00 -2.5663310000e+00  1.5006490000e+00
-ENERGY -1.526515916246e+02
-FORCES -2.7173000000e-03  2.1048000000e-03  1.5195000000e-03  4.0796000000e-03 -1.5927000000e-03  8.7440000000e-04 -9.9240000000e-04 -3.5648000000e-03 -2.3725000000e-03  1.4173000000e-03  6.3393000000e-03 -1.9518000000e-03  1.7666000000e-03 -2.4808000000e-03  1.1471000000e-03 -3.5538000000e-03 -8.0580000000e-04  7.8330000000e-04
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2052600000e-01  6.3110000000e-01 -5.8404000000e-01 -9.2322900000e-01  1.7877000000e-02 -2.5211300000e-01 -2.9408410000e+00 -2.7492000000e-01 -3.4520600000e-01 -3.6199990000e+00 -8.3416000000e-01 -7.2233600000e-01 -3.2229250000e+00 -1.3070300000e-01  5.5804500000e-01
-ENERGY -1.526614742117e+02
-FORCES -6.6661000000e-03  7.3170000000e-04 -4.0784000000e-03 -1.7933000000e-03 -2.0659000000e-03  1.6495000000e-03  9.2351000000e-03  2.4874000000e-03  3.2220000000e-03 -3.8477000000e-03 -3.2255000000e-03  1.2929000000e-03  1.7154000000e-03  2.9196000000e-03  2.7071000000e-03  1.3566000000e-03 -8.4720000000e-04 -4.7930000000e-03
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1293400000e-01  2.2016600000e-01 -7.0147700000e-01  6.3531000000e-02  7.3250400000e-01  6.1289000000e-01 -7.6600000000e-03  1.8521870000e+00  2.4922560000e+00  7.8383700000e-01  1.7262740000e+00  3.0156200000e+00 -2.5253000000e-02  2.7908810000e+00  2.3057750000e+00
-ENERGY -1.526601261062e+02
-FORCES  1.3433000000e-03  5.3302000000e-03  3.9372000000e-03 -1.8975000000e-03 -1.3590000000e-04  2.9466000000e-03  9.6830000000e-04 -5.1273000000e-03 -9.1521000000e-03  2.5001000000e-03  3.7029000000e-03  5.4059000000e-03 -3.6947000000e-03  1.3161000000e-03 -3.0267000000e-03  7.8050000000e-04 -5.0861000000e-03 -1.1100000000e-04
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1494500000e-01  2.3674500000e-01 -5.9079400000e-01 -7.6844400000e-01  4.3839300000e-01 -3.6542700000e-01  1.7090900000e+00  1.7524080000e+00 -1.4072540000e+00  1.3367140000e+00  2.5203070000e+00 -9.7378100000e-01  1.3490090000e+00  1.7790620000e+00 -2.2937430000e+00
-ENERGY -1.526581590016e+02
-FORCES  6.4898000000e-03  8.0367000000e-03 -7.7978000000e-03 -6.0656000000e-03 -6.1760000000e-03  2.7807000000e-03  2.1898000000e-03 -5.8950000000e-04  1.1058000000e-03 -3.7371000000e-03  4.1396000000e-03  1.6289000000e-03  1.1962000000e-03 -3.7608000000e-03 -3.4741000000e-03 -7.3100000000e-05 -1.6499000000e-03  5.7566000000e-03
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1195100000e-01  8.2097000000e-02 -6.3452200000e-01 -7.9784700000e-01  5.9298000000e-02 -5.2550400000e-01  1.6212400000e-01 -1.6806710000e+00  2.0896830000e+00 -1.4066300000e-01 -1.2518290000e+00  1.2892790000e+00  8.3919700000e-01 -1.0976000000e+00  2.4329500000e+00
-ENERGY -1.526585181523e+02
-FORCES  2.5899000000e-03 -3.9959000000e-03  1.6854000000e-03 -4.3046000000e-03  6.6440000000e-04  2.7039000000e-03  4.5852000000e-03 -1.8363000000e-03  3.1327000000e-03  1.3192000000e-03  1.3043000000e-02 -1.1923600000e-02 -3.6029000000e-03 -5.5233000000e-03  4.2680000000e-03 -5.8680000000e-04 -2.3518000000e-03  1.3360000000e-04
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0644400000e-01  3.6992000000e-01  5.2946100000e-01 -8.0222400000e-01  3.1555000000e-01  4.1605000000e-01  2.8617200000e+00 -1.6228370000e+00  7.1896700000e-01  3.4919880000e+00 -1.6923590000e+00  1.4360170000e+00  2.0070410000e+00 -1.7067850000e+00  1.1417060000e+00
-ENERGY -1.526556821820e+02
-FORCES  5.1000000000e-06  4.6186000000e-03  1.8937000000e-03 -4.7572000000e-03 -2.7125000000e-03 -6.9930000000e-04  3.7541000000e-03 -1.6622000000e-03 -1.4802000000e-03 -1.3384000000e-03 -2.8970000000e-03  3.5233000000e-03 -3.0366000000e-03  7.4930000000e-04 -2.9789000000e-03  5.3731000000e-03  1.9038000000e-03 -2.5860000000e-04
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3912100000e-01  1.6846200000e-01 -7.6838000000e-02  1.9587900000e-01  1.5018800000e-01  9.2482800000e-01  3.0457100000e-01 -2.6603190000e+00  1.3115310000e+00 -6.3444000000e-02 -1.9250860000e+00  1.8016640000e+00  1.2520890000e+00 -2.5580340000e+00  1.4008600000e+00
-ENERGY -1.526489690083e+02
-FORCES -3.0846000000e-03 -2.1485000000e-03  2.7636000000e-03  4.1945000000e-03 -7.9440000000e-04  1.0113000000e-03 -8.1090000000e-04 -3.0126000000e-03 -2.0441000000e-03  2.3681000000e-03  7.3761000000e-03 -2.5056000000e-03  1.1551000000e-03 -9.2230000000e-04  7.2500000000e-05 -3.8221000000e-03 -4.9830000000e-04  7.0240000000e-04
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6171800000e-01  5.1963100000e-01  4.5644800000e-01  6.1864000000e-02 -8.6906100000e-01  3.9640500000e-01  1.7183630000e+00 -1.5183110000e+00  1.7699380000e+00  1.7815110000e+00 -1.2112300000e+00  2.6743420000e+00  1.6919800000e+00 -2.4724480000e+00  1.8417510000e+00
-ENERGY -1.526578059105e+02
-FORCES  8.9063000000e-03 -5.1870000000e-03  7.8021000000e-03 -2.9550000000e-03  1.9597000000e-03 -1.7141000000e-03 -5.0900000000e-03  8.0810000000e-04 -4.0130000000e-03  6.6830000000e-04 -1.4610000000e-03  3.2987000000e-03 -2.7710000000e-04 -1.0633000000e-03 -4.7453000000e-03 -1.2525000000e-03  4.9435000000e-03 -6.2840000000e-04
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9950500000e-01 -4.5148500000e-01 -4.7232000000e-01  3.7421000000e-02 -3.6017400000e-01  8.8606200000e-01  2.7683370000e+00  1.0625540000e+00 -7.1206500000e-01  3.5344770000e+00  1.1170840000e+00 -1.2832810000e+00  2.7835170000e+00  1.8784010000e+00 -2.1167000000e-01
-ENERGY -1.526565236289e+02
-FORCES  6.9463000000e-03 -1.9531000000e-03 -1.0960000000e-04 -5.9847000000e-03 -1.5107000000e-03  1.8935000000e-03 -2.3940000000e-04  1.7228000000e-03 -2.9402000000e-03  1.2250000000e-03  5.6361000000e-03  1.0472000000e-03 -3.7841000000e-03 -6.0930000000e-04  2.3869000000e-03  1.8370000000e-03 -3.2858000000e-03 -2.2778000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7236600000e-01 -7.3207000000e-01 -4.9157800000e-01  4.3468100000e-01  7.7453900000e-01 -3.5689400000e-01  1.8056370000e+00 -1.7254000000e-02  2.0117050000e+00  1.0210830000e+00  5.5091000000e-02  1.4681320000e+00  1.7997220000e+00  7.7535200000e-01  2.5483360000e+00
-ENERGY -1.526594724631e+02
-FORCES  7.3633000000e-03 -1.5279000000e-03 -1.3803000000e-03 -1.8256000000e-03  4.5461000000e-03  2.8372000000e-03 -1.3871000000e-03 -4.1862000000e-03  4.8841000000e-03 -1.2216100000e-02  1.5140000000e-04 -8.4898000000e-03  9.4298000000e-03  2.6210000000e-03  5.8249000000e-03 -1.3643000000e-03 -1.6043000000e-03 -3.6761000000e-03
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2472200000e-01 -1.3071000000e-02  4.8569000000e-01 -9.3829000000e-02 -6.9542500000e-01 -6.5100900000e-01 -1.5848780000e+00 -1.3594900000e-01  2.1941440000e+00 -1.1858340000e+00 -9.1874300000e-01  2.5739200000e+00 -2.5234520000e+00 -3.2376800000e-01  2.1883310000e+00
-ENERGY -1.526586919714e+02
-FORCES -9.0305000000e-03 -5.4590000000e-04  8.9199000000e-03  4.4097000000e-03 -1.1384000000e-03 -9.3908000000e-03 -1.0034000000e-03  1.5395000000e-03  3.7290000000e-03  3.7163000000e-03 -3.6073000000e-03  1.0748000000e-03 -3.7399000000e-03  3.5119000000e-03 -2.1990000000e-03  5.6479000000e-03  2.4030000000e-04 -2.1339000000e-03
-
-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9995000000e-02  9.5696600000e-01  6.9260000000e-03 -7.2535100000e-01 -2.2909600000e-01  5.8104500000e-01 -1.5470980000e+00 -1.8450590000e+00  1.3913340000e+00 -9.8411800000e-01 -2.5964680000e+00  1.2051340000e+00 -1.3578190000e+00 -1.6234670000e+00  2.3030920000e+00
-ENERGY -1.526593425673e+02
-FORCES -7.0695000000e-03 -4.7017000000e-03  3.8964000000e-03 -1.5796000000e-03 -3.9766000000e-03  1.7668000000e-03  6.2209000000e-03  8.3300000000e-03 -1.9477000000e-03  6.1889000000e-03 -3.8492000000e-03 -4.3230000000e-04 -3.5598000000e-03  2.8865000000e-03  2.3742000000e-03 -2.0090000000e-04  1.3110000000e-03 -5.6575000000e-03
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9988000000e-02  9.3543500000e-01 -1.9670700000e-01 -5.8062000000e-02 -4.2265400000e-01 -8.5686900000e-01  1.8599500000e-01 -1.6562140000e+00 -1.9496170000e+00 -4.5327100000e-01 -1.8351950000e+00 -2.6392090000e+00  9.9698200000e-01 -1.4607880000e+00 -2.4190220000e+00
-ENERGY -1.526568579798e+02
-FORCES  2.9100000000e-05 -1.2560600000e-02 -1.4910600000e-02  3.7290000000e-04 -4.1684000000e-03 -2.3952000000e-03  5.3510000000e-04  8.2559000000e-03  5.3604000000e-03  7.8360000000e-04  5.7917000000e-03  6.0662000000e-03  4.1366000000e-03  2.2574000000e-03  3.7017000000e-03 -5.8573000000e-03  4.2400000000e-04  2.1775000000e-03
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2390400000e-01 -8.3777800000e-01 -4.0524900000e-01  6.1966000000e-01  8.9576000000e-02  7.2403700000e-01  1.3403750000e+00 -1.8313100000e+00 -1.5696310000e+00  1.1284180000e+00 -2.7547760000e+00 -1.7057050000e+00  1.3637650000e+00 -1.4580890000e+00 -2.4507620000e+00
-ENERGY -1.526602257306e+02
-FORCES  8.7582000000e-03 -9.2394000000e-03 -5.0944000000e-03 -6.2462000000e-03  4.6261000000e-03  5.2143000000e-03 -1.8770000000e-03 -2.1480000000e-04 -1.8686000000e-03 -6.3540000000e-04  2.9488000000e-03 -3.3913000000e-03  6.2000000000e-05  5.4040000000e-03  1.0949000000e-03 -6.1700000000e-05 -3.5247000000e-03  4.0452000000e-03
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9560500000e-01  8.6612300000e-01 -2.8050000000e-01 -9.4325500000e-01  9.8647000000e-02  1.2950400000e-01  1.8354600000e+00 -1.8162830000e+00 -1.2003090000e+00  2.5519820000e+00 -1.8995240000e+00 -5.7110400000e-01  1.2642220000e+00 -1.1455200000e+00 -8.2614800000e-01
-ENERGY -1.526606927042e+02
-FORCES -3.6914000000e-03  3.1150000000e-04 -1.1030000000e-03 -8.9070000000e-04 -5.4687000000e-03  9.4350000000e-04  4.4998000000e-03  1.6652000000e-03 -1.7540000000e-04 -6.1020000000e-03  5.1706000000e-03  6.8769000000e-03 -2.2451000000e-03  9.1740000000e-04 -1.8034000000e-03  8.4294000000e-03 -2.5960000000e-03 -4.7387000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1021600000e-01 -5.2558200000e-01 -7.9236900000e-01  2.4173900000e-01  8.6907000000e-01 -3.2017300000e-01  1.8479470000e+00 -1.6024450000e+00  1.2879950000e+00  1.3666570000e+00 -2.3431000000e+00  9.1918200000e-01  1.5598880000e+00 -8.4870500000e-01  7.7308700000e-01
-ENERGY -1.526566462079e+02
-FORCES -5.1500000000e-04 -9.7030000000e-04 -2.2227000000e-03  2.4052000000e-03  1.7568000000e-03  5.1713000000e-03  5.5660000000e-04 -5.7236000000e-03  2.1927000000e-03 -1.2220900000e-02  6.8605000000e-03 -6.5347000000e-03  1.7828000000e-03  1.3267000000e-03  3.3010000000e-04  7.9913000000e-03 -3.2502000000e-03  1.0633000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1955700000e-01  5.5560600000e-01 -2.9961900000e-01 -7.7282400000e-01  3.4720700000e-01 -4.4544700000e-01 -1.9305440000e+00  1.6437980000e+00 -1.1665220000e+00 -1.7794260000e+00  2.3826550000e+00 -5.7704300000e-01 -2.8803680000e+00  1.5252230000e+00 -1.1640960000e+00
-ENERGY -1.526605107108e+02
-FORCES -7.3949000000e-03  7.8431000000e-03 -8.2116000000e-03 -2.0438000000e-03 -8.3570000000e-04  1.6858000000e-03  6.0386000000e-03 -5.1247000000e-03  5.3819000000e-03 -9.6270000000e-04  1.5260000000e-03  3.5935000000e-03 -6.1460000000e-04 -4.2921000000e-03 -3.2373000000e-03  4.9773000000e-03  8.8330000000e-04  7.8770000000e-04
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4538200000e-01 -9.7931000000e-02  1.1355400000e-01 -1.0516500000e-01  8.6092700000e-01 -4.0494100000e-01 -1.4374660000e+00  5.0487800000e-01  2.2491650000e+00 -2.2820020000e+00  6.0012500000e-01  1.8088030000e+00 -8.5971500000e-01  1.3347500000e-01  1.5824600000e+00
-ENERGY -1.526596954828e+02
-FORCES -3.1770000000e-04  5.4418000000e-03  2.7925000000e-03 -5.3772000000e-03  1.2915000000e-03  2.6170000000e-04  6.0230000000e-04 -4.8327000000e-03  2.0643000000e-03  6.0529000000e-03 -4.8398000000e-03 -1.4408600000e-02  2.5600000000e-03  6.9910000000e-04  6.5830000000e-04 -3.5203000000e-03  2.2401000000e-03  8.6318000000e-03
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5514600000e-01  5.2493400000e-01 -7.8524300000e-01 -1.0970800000e-01 -9.0528300000e-01 -2.9096300000e-01 -2.0500230000e+00  1.7269870000e+00  1.1618880000e+00 -1.6646960000e+00  9.1121400000e-01  8.4209400000e-01 -1.7123430000e+00  1.8188220000e+00  2.0528260000e+00
-ENERGY -1.526601872845e+02
-FORCES  2.1796000000e-03  4.1200000000e-05 -5.2853000000e-03 -8.5620000000e-04 -3.8224000000e-03  4.8344000000e-03 -6.1470000000e-04  4.9848000000e-03  1.6806000000e-03  8.1850000000e-03 -6.6809000000e-03  9.9230000000e-04 -7.2220000000e-03  5.4262000000e-03  2.4880000000e-04 -1.6716000000e-03  5.1100000000e-05 -2.4709000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6245100000e-01  6.2507700000e-01  4.5734000000e-01  1.8878700000e-01  4.1732400000e-01 -8.4049500000e-01  8.5747000000e-02  1.5972960000e+00 -1.9690860000e+00 -5.7354700000e-01  2.0614820000e+00 -2.4849290000e+00  8.1313800000e-01  1.4609170000e+00 -2.5761580000e+00
-ENERGY -1.526536744147e+02
-FORCES -2.2850000000e-03  1.8043100000e-02 -1.6860000000e-02  1.6570000000e-04 -1.9656000000e-03  1.3050000000e-04  6.0371000000e-03 -3.7044000000e-03 -6.5950000000e-04 -3.8648000000e-03 -1.0046700000e-02  1.1091800000e-02  4.9467000000e-03 -1.2185000000e-03  1.9270000000e-03 -4.9997000000e-03 -1.1079000000e-03  4.3702000000e-03
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4534200000e-01  1.0900000000e-01 -5.9060700000e-01  1.1028700000e-01  6.8896500000e-01  6.5528300000e-01  1.9372310000e+00  1.0287600000e-01 -1.8709090000e+00  1.7655770000e+00 -5.3503100000e-01 -2.5636150000e+00  2.8916180000e+00  1.3413200000e-01 -1.8045710000e+00
-ENERGY -1.526605386082e+02
-FORCES  1.1239500000e-02  2.5037000000e-03 -9.0189000000e-03 -7.4802000000e-03 -4.9220000000e-04  6.1597000000e-03  1.2031000000e-03 -1.7439000000e-03 -2.3575000000e-03 -2.7781000000e-03 -3.0309000000e-03  3.1123000000e-03  2.4058000000e-03  3.3157000000e-03  3.4865000000e-03 -4.5902000000e-03 -5.5250000000e-04 -1.3820000000e-03
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0182300000e-01  7.5047600000e-01  5.5882400000e-01  9.2836600000e-01  1.0030700000e-01 -2.1049200000e-01 -2.0970850000e+00 -2.5215300000e-01 -2.1143070000e+00 -1.2658010000e+00 -1.4721800000e-01 -1.6515030000e+00 -2.0389320000e+00  3.5426800000e-01 -2.8526180000e+00
-ENERGY -1.526605668876e+02
-FORCES  2.5298000000e-03  3.1964000000e-03  4.5696000000e-03  2.0234000000e-03 -3.4155000000e-03 -3.0262000000e-03 -5.0876000000e-03  1.4030000000e-04  2.0230000000e-04  6.5881000000e-03  1.7887000000e-03  3.7490000000e-03 -6.6320000000e-03 -3.5100000000e-05 -8.4914000000e-03  5.7840000000e-04 -1.6747000000e-03  2.9966000000e-03
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2232300000e-01 -7.0814300000e-01  3.7675500000e-01 -3.9574200000e-01  1.6052200000e-01 -8.5665200000e-01 -1.4724050000e+00 -5.4602000000e-02 -2.4265200000e+00 -2.2609680000e+00 -2.6857000000e-02 -1.8846420000e+00 -1.4627100000e+00  7.8857200000e-01 -2.8795060000e+00
-ENERGY -1.526587243987e+02
-FORCES -6.0373000000e-03 -3.6788000000e-03 -1.1170100000e-02  5.0170000000e-04  2.6845000000e-03 -9.6560000000e-04  2.0270000000e-03  3.0843000000e-03  9.3848000000e-03 -3.6860000000e-03  2.2593000000e-03 -5.9940000000e-04  6.6526000000e-03 -8.5000000000e-06 -6.5770000000e-04  5.4200000000e-04 -4.3407000000e-03  4.0079000000e-03
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5200500000e-01 -2.6597500000e-01 -6.4836700000e-01  7.2905000000e-02  9.4828700000e-01 -1.0802400000e-01  1.3428330000e+00  1.0995290000e+00  3.1995260000e+00  1.8481310000e+00  1.6947000000e+00  2.6457410000e+00  4.3490700000e-01  1.3820080000e+00  3.0894930000e+00
-ENERGY -1.526528132157e+02
-FORCES -2.0709000000e-03  2.1166000000e-03 -3.7148000000e-03  2.8220000000e-03  1.1320000000e-03  3.0434000000e-03 -3.0440000000e-04 -3.4442000000e-03  1.2498000000e-03 -2.1226000000e-03  1.8800000000e-03 -3.5963000000e-03 -2.2434000000e-03 -1.8126000000e-03  2.1186000000e-03  3.9192000000e-03  1.2830000000e-04  8.9920000000e-04
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8451200000e-01  4.6808300000e-01  6.7998400000e-01 -5.9746800000e-01 -6.8989300000e-01 -2.8863700000e-01 -1.4624300000e+00 -2.0440670000e+00 -1.6116820000e+00 -1.6365670000e+00 -1.7513290000e+00 -2.5062280000e+00 -1.7193770000e+00 -2.9661210000e+00 -1.6066080000e+00
-ENERGY -1.526612697233e+02
-FORCES -5.3820000000e-03 -4.6354000000e-03 -1.5368000000e-03  1.1493000000e-03 -1.9482000000e-03 -2.4408000000e-03  4.2526000000e-03  7.3505000000e-03  5.3283000000e-03 -6.9330000000e-04 -2.3795000000e-03 -4.1829000000e-03  2.2000000000e-05 -2.5196000000e-03  3.8965000000e-03  6.5130000000e-04  4.1322000000e-03 -1.0643000000e-03
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8223900000e-01 -7.5623500000e-01 -4.4523500000e-01  9.4409900000e-01 -1.5452600000e-01 -3.2113000000e-02  1.2865880000e+00  1.2966640000e+00 -2.4468600000e+00  4.9197300000e-01  1.6527140000e+00 -2.8444120000e+00  1.2823670000e+00  1.6397970000e+00 -1.5532860000e+00
-ENERGY -1.526556633453e+02
-FORCES  3.0578000000e-03 -4.9321000000e-03 -6.1639000000e-03  6.7130000000e-04  2.5671000000e-03  2.8914000000e-03 -3.3585000000e-03  2.9396000000e-03  1.1864000000e-03 -7.3409000000e-03  1.9968000000e-03  5.0043000000e-03  3.4158000000e-03 -1.1375000000e-03  2.2400000000e-04  3.5544000000e-03 -1.4339000000e-03 -3.1423000000e-03
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1464200000e-01  9.3898000000e-02 -4.9373400000e-01  6.7868600000e-01 -8.1540000000e-02 -6.7005100000e-01 -2.5006600000e-01  1.7136020000e+00  2.1704450000e+00 -1.6113000000e-01  2.6103210000e+00  1.8476170000e+00 -2.1730900000e-01  1.1706290000e+00  1.3828280000e+00
-ENERGY -1.526600976489e+02
-FORCES  1.7025000000e-03  1.0972000000e-03 -1.3169000000e-03  4.9332000000e-03  1.3118000000e-03  3.2745000000e-03 -4.5734000000e-03  1.2080000000e-04  2.0686000000e-03  2.9496000000e-03 -6.0075000000e-03 -1.0625500000e-02 -3.0130000000e-04 -3.0387000000e-03 -1.8600000000e-05 -4.7105000000e-03  6.5163000000e-03  6.6178000000e-03
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3565700000e-01 -8.2490300000e-01 -4.2453900000e-01  9.5411000000e-01  3.9756000000e-02 -6.5771000000e-02 -1.2791350000e+00 -1.8551630000e+00 -1.4558460000e+00 -1.0694380000e+00 -1.5459610000e+00 -2.3371250000e+00 -2.1095270000e+00 -1.4291310000e+00 -1.2432960000e+00
-ENERGY -1.526599574090e+02
-FORCES -4.8683000000e-03 -1.2289900000e-02 -7.2332000000e-03  4.3934000000e-03  8.9542000000e-03  4.9267000000e-03 -3.3606000000e-03 -1.7100000000e-03 -1.7203000000e-03 -1.3157000000e-03  8.3324000000e-03 -1.1000000000e-05 -2.3150000000e-04 -1.1380000000e-03  5.2168000000e-03  5.3826000000e-03 -2.1487000000e-03 -1.1790000000e-03
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9678800000e-01 -7.3265800000e-01  5.8371100000e-01  7.3425600000e-01 -3.0727200000e-01 -5.3168100000e-01 -6.9926900000e-01  1.4376800000e+00  2.3009780000e+00 -5.3689600000e-01  1.4740770000e+00  1.3583530000e+00 -8.1446400000e-01  2.3519020000e+00  2.5601330000e+00
-ENERGY -1.526607054999e+02
-FORCES  2.0703000000e-03 -3.8373000000e-03  3.1175000000e-03  1.4407000000e-03  3.0062000000e-03 -4.3786000000e-03 -3.1144000000e-03  3.4810000000e-04  2.5144000000e-03  1.9856000000e-03  8.4300000000e-05 -6.8527000000e-03 -3.4746000000e-03  3.3269000000e-03  7.9358000000e-03  1.0925000000e-03 -2.9282000000e-03 -2.3363000000e-03
-
-JOB 180
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7032300000e-01  1.9287000000e-01  5.3444800000e-01  2.5602400000e-01  2.4803700000e-01 -8.8834800000e-01  3.3296700000e-01  1.7420710000e+00 -2.1871570000e+00 -4.1567000000e-01  1.7594090000e+00 -2.7833730000e+00  1.0713570000e+00  2.0363340000e+00 -2.7204690000e+00
-ENERGY -1.526591648803e+02
-FORCES  4.4032000000e-03  8.3894000000e-03 -7.2863000000e-03 -1.9670000000e-03 -8.6900000000e-04 -1.5078000000e-03 -1.5202000000e-03 -6.9850000000e-03  5.3164000000e-03 -1.6977000000e-03  1.3949000000e-03 -1.8648000000e-03  4.5626000000e-03 -4.5350000000e-04  2.4904000000e-03 -3.7810000000e-03 -1.4769000000e-03  2.8521000000e-03
-
-JOB 181
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9606800000e-01  5.0919000000e-02 -6.5507800000e-01 -7.8313100000e-01  3.0568600000e-01 -4.5770400000e-01  2.9454190000e+00  1.6105370000e+00  4.0004700000e-01  3.7454910000e+00  1.9992660000e+00  4.6483000000e-02  2.8497610000e+00  2.0049580000e+00  1.2669470000e+00
-ENERGY -1.526560040989e+02
-FORCES  2.0659000000e-03  2.3716000000e-03 -4.4375000000e-03 -5.2604000000e-03 -2.0615000000e-03  1.1425000000e-03  2.9696000000e-03 -1.0378000000e-03  1.8477000000e-03  2.2627000000e-03  3.4181000000e-03  4.0819000000e-03 -3.6732000000e-03 -1.7411000000e-03  1.1495000000e-03  1.6354000000e-03 -9.4930000000e-04 -3.7842000000e-03
-
-JOB 182
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3034300000e-01 -2.5178000000e-02 -2.2374100000e-01 -4.5117300000e-01 -7.6101000000e-02 -8.4076400000e-01  1.4388560000e+00  3.3868830000e+00  1.8307800000e-01  7.2471800000e-01  3.5024980000e+00 -4.4371700000e-01  2.2255890000e+00  3.3235720000e+00 -3.5847000000e-01
-ENERGY -1.526531896944e+02
-FORCES  2.9000000000e-03  1.3610000000e-04 -3.2652000000e-03 -3.9191000000e-03 -9.1440000000e-04  3.3400000000e-05  1.8233000000e-03  9.6340000000e-04  3.3097000000e-03 -1.0719000000e-03  2.3110000000e-04 -4.2131000000e-03  3.5081000000e-03  1.8330000000e-04  1.9498000000e-03 -3.2404000000e-03 -5.9960000000e-04  2.1854000000e-03
-
-JOB 183
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5475800000e-01 -6.1841000000e-02 -2.9059000000e-02  2.6407200000e-01 -6.6241200000e-01  6.3852000000e-01 -2.6737740000e+00 -1.2885000000e-02 -1.9479600000e-01 -2.9763420000e+00  8.7614500000e-01 -9.5630000000e-03 -3.0541610000e+00 -2.2303500000e-01 -1.0476590000e+00
-ENERGY -1.526609686325e+02
-FORCES -1.6166400000e-02 -2.0737000000e-03 -9.2000000000e-05  1.0325900000e-02  1.2308000000e-03  1.4769000000e-03 -2.1164000000e-03  1.5877000000e-03 -1.7283000000e-03  4.8777000000e-03  2.1691000000e-03 -2.4646000000e-03  1.7659000000e-03 -4.9855000000e-03 -1.8434000000e-03  1.3133000000e-03  2.0716000000e-03  4.6514000000e-03
-
-JOB 184
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3887600000e-01  1.0171000000e-01 -1.5620300000e-01 -1.0121400000e-01  1.2491200000e-01  9.4360200000e-01  1.0742150000e+00 -1.1207490000e+00 -2.7924790000e+00  3.0220900000e-01 -1.4487230000e+00 -3.2536430000e+00  1.8155900000e+00 -1.4692980000e+00 -3.2875650000e+00
-ENERGY -1.526552050238e+02
-FORCES  4.8377000000e-03  2.9860000000e-04  9.0200000000e-04 -3.8130000000e-03  1.0704000000e-03  3.7166000000e-03  4.4240000000e-04 -7.9780000000e-04 -3.9948000000e-03 -2.5876000000e-03 -3.1718000000e-03 -3.9903000000e-03  3.9931000000e-03  9.2270000000e-04  6.7990000000e-04 -2.8727000000e-03  1.6779000000e-03  2.6866000000e-03
-
-JOB 185
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0299900000e-01  5.3394700000e-01  3.7003400000e-01  8.0196700000e-01  3.6971400000e-01  3.6931300000e-01  1.4378760000e+00 -1.1827630000e+00  2.8259490000e+00  1.5111450000e+00 -3.5692500000e-01  3.3043380000e+00  5.4248100000e-01 -1.1854760000e+00  2.4875830000e+00
-ENERGY -1.526557642503e+02
-FORCES  2.1691000000e-03  4.3105000000e-03  7.7080000000e-04  3.3059000000e-03 -3.2268000000e-03 -1.6070000000e-04 -5.0627000000e-03 -6.8400000000e-04 -1.3880000000e-03 -4.5010000000e-03  1.3531000000e-03  2.5990000000e-04 -3.3050000000e-04 -2.7020000000e-03 -3.2224000000e-03  4.4192000000e-03  9.4920000000e-04  3.7404000000e-03
-
-JOB 186
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4704700000e-01 -4.3243400000e-01  4.1370800000e-01 -1.1901600000e-01 -4.6609400000e-01 -8.2754000000e-01 -1.1720150000e+00  1.8202930000e+00  2.5571330000e+00 -2.2375200000e-01  1.7043370000e+00  2.4972790000e+00 -1.4966170000e+00  1.5971350000e+00  1.6847420000e+00
-ENERGY -1.526576031338e+02
-FORCES  2.8547000000e-03 -4.8964000000e-03 -2.4913000000e-03 -3.0172000000e-03  2.4809000000e-03 -1.6664000000e-03  6.5350000000e-04  1.8190000000e-03  3.6834000000e-03  3.1772000000e-03 -2.9530000000e-03 -6.6263000000e-03 -2.5148000000e-03  6.8360000000e-04  2.0868000000e-03 -1.1533000000e-03  2.8659000000e-03  5.0139000000e-03
-
-JOB 187
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0912600000e-01 -2.0026000000e-01  6.1095700000e-01 -3.1078000000e-02  9.5632900000e-01 -2.6455000000e-02 -1.4419740000e+00  1.1561140000e+00 -2.8934000000e+00 -1.7593390000e+00  2.0590630000e+00 -2.8794410000e+00 -1.9252970000e+00  7.2097400000e-01 -2.1910580000e+00
-ENERGY -1.526551086882e+02
-FORCES  4.1916000000e-03  3.0610000000e-03  1.4319000000e-03 -2.8012000000e-03  1.0825000000e-03 -2.5311000000e-03 -1.0258000000e-03 -4.0181000000e-03  1.5114000000e-03 -3.6007000000e-03 -2.6960000000e-04  2.4952000000e-03  1.9899000000e-03 -3.5580000000e-03  7.0340000000e-04  1.2461000000e-03  3.7022000000e-03 -3.6108000000e-03
-
-JOB 188
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4295200000e-01  6.3844000000e-02  6.0014900000e-01  2.5876600000e-01 -6.7096500000e-01 -6.3172600000e-01  3.0502260000e+00 -1.2757700000e+00 -5.6879000000e-01  3.8967040000e+00 -1.6944840000e+00 -4.1262700000e-01  3.1760140000e+00 -3.6880700000e-01 -2.8981400000e-01
-ENERGY -1.526567385590e+02
-FORCES  4.9055000000e-03 -5.1173000000e-03 -4.5810000000e-04 -2.1263000000e-03  2.0496000000e-03 -1.9637000000e-03 -3.2209000000e-03  3.9907000000e-03  2.1613000000e-03  6.0228000000e-03  1.1566000000e-03  8.3240000000e-04 -3.5562000000e-03  2.2709000000e-03 -6.0510000000e-04 -2.0250000000e-03 -4.3505000000e-03  3.3100000000e-05
-
-JOB 189
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0842400000e-01  9.4561500000e-01  1.0143400000e-01  2.1251000000e-01 -3.1288200000e-01  8.7930400000e-01 -2.8641900000e-01  2.7429180000e+00  2.1000600000e-01 -1.0698030000e+00  3.1142210000e+00 -1.9579600000e-01 -1.8230100000e-01  3.2343860000e+00  1.0247760000e+00
-ENERGY -1.526607331349e+02
-FORCES -5.1550000000e-04  1.2991100000e-02  3.2900000000e-03  2.1270000000e-04 -1.0096100000e-02 -1.1321000000e-03 -5.7120000000e-04  1.7988000000e-03 -2.0483000000e-03 -1.9225000000e-03 -1.1628000000e-03  1.0352000000e-03  4.1272000000e-03 -1.3537000000e-03  2.9929000000e-03 -1.3307000000e-03 -2.1773000000e-03 -4.1378000000e-03
-
-JOB 190
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1504700000e-01 -8.5174200000e-01  3.0251200000e-01 -5.6617000000e-01  6.3495500000e-01  4.3876500000e-01  1.2492230000e+00  1.4541120000e+00 -2.8914530000e+00  1.9794170000e+00  1.8944660000e+00 -2.4565540000e+00  4.6891900000e-01  1.7930840000e+00 -2.4527550000e+00
-ENERGY -1.526538546607e+02
-FORCES -3.3765000000e-03 -2.7738000000e-03  3.1387000000e-03  1.3022000000e-03  3.8167000000e-03 -9.4670000000e-04  2.7232000000e-03 -1.8467000000e-03 -2.9191000000e-03 -8.3360000000e-04  1.0131000000e-03  6.1617000000e-03 -2.5210000000e-03 -1.0110000000e-03 -2.3465000000e-03  2.7057000000e-03  8.0160000000e-04 -3.0880000000e-03
-
-JOB 191
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8896100000e-01 -2.2848900000e-01  4.9149300000e-01 -6.8013100000e-01 -5.6948500000e-01  3.5963900000e-01 -3.1493120000e+00 -7.0862400000e-01 -1.7738120000e+00 -2.7441690000e+00 -1.5647950000e+00 -1.9118750000e+00 -3.0482060000e+00 -5.4364100000e-01 -8.3637400000e-01
-ENERGY -1.526522627654e+02
-FORCES  1.3888000000e-03 -2.9293000000e-03  3.7031000000e-03 -3.4778000000e-03  9.7110000000e-04 -2.4028000000e-03  1.2640000000e-03  2.2456000000e-03 -1.9266000000e-03  2.8638000000e-03 -1.8286000000e-03  2.3406000000e-03 -2.1055000000e-03  3.3000000000e-03  1.2040000000e-03  6.6600000000e-05 -1.7588000000e-03 -2.9182000000e-03
-
-JOB 192
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4821800000e-01 -5.5976800000e-01  4.2744000000e-01 -3.1470400000e-01  8.7783000000e-02 -8.9971500000e-01  1.1660400000e+00 -1.5165860000e+00 -2.6652110000e+00  1.7948670000e+00 -1.9605670000e+00 -2.0962730000e+00  1.3512030000e+00 -1.8580150000e+00 -3.5400670000e+00
-ENERGY -1.526571729778e+02
-FORCES -3.4416000000e-03 -2.3767000000e-03 -4.4845000000e-03  2.6258000000e-03  1.9628000000e-03 -1.2897000000e-03 -6.2510000000e-04  1.5667000000e-03  5.8289000000e-03  4.6660000000e-03 -3.3285000000e-03 -6.6400000000e-05 -2.3810000000e-03  7.6850000000e-04 -3.8603000000e-03 -8.4400000000e-04  1.4073000000e-03  3.8720000000e-03
-
-JOB 193
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6261800000e-01 -6.0419700000e-01  6.4783200000e-01 -2.4388100000e-01 -3.7891700000e-01 -8.4449700000e-01  1.5294330000e+00 -3.0332350000e+00  9.6263200000e-01  2.2751800000e+00 -3.0305840000e+00  3.6256000000e-01  1.7461880000e+00 -3.7023740000e+00  1.6118640000e+00
-ENERGY -1.526559728707e+02
-FORCES -1.4986000000e-03 -6.2248000000e-03  4.1280000000e-04 -5.4090000000e-04  4.4419000000e-03 -2.6966000000e-03  9.5350000000e-04  2.0447000000e-03  2.6089000000e-03  5.2604000000e-03 -2.1724000000e-03 -9.6700000000e-05 -3.1333000000e-03 -1.0330000000e-03  2.4561000000e-03 -1.0411000000e-03  2.9435000000e-03 -2.6845000000e-03
-
-JOB 194
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7257200000e-01 -6.4941900000e-01  5.2073300000e-01 -4.4246000000e-01 -4.8980000000e-03 -8.4878600000e-01 -1.3084610000e+00  1.8470030000e+00  1.3531600000e+00 -2.0505440000e+00  1.5984070000e+00  8.0202900000e-01 -5.7917600000e-01  1.3207580000e+00  1.0253760000e+00
-ENERGY -1.526552124726e+02
-FORCES -8.6291000000e-03  4.8145000000e-03  2.2093000000e-03  1.2321000000e-03  6.3305000000e-03 -2.3164000000e-03  7.2650000000e-04 -1.2740000000e-04  5.3496000000e-03  9.4120000000e-03 -1.2951800000e-02 -1.3219500000e-02  1.1073000000e-03 -2.5570000000e-04  1.1574000000e-03 -3.8489000000e-03  2.1898000000e-03  6.8196000000e-03
-
-JOB 195
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4102000000e-01 -1.6171100000e-01 -6.7545000000e-02  1.8725100000e-01 -6.0382000000e-02  9.3676200000e-01  1.9451140000e+00  1.3895350000e+00 -1.4197690000e+00  2.0451670000e+00  1.0137800000e+00 -2.2944290000e+00  1.0959210000e+00  1.0685220000e+00 -1.1163670000e+00
-ENERGY -1.526606008886e+02
-FORCES  1.6383000000e-03  6.7080000000e-04  3.0308000000e-03  4.7741000000e-03  6.5380000000e-04  5.6950000000e-04 -2.8337000000e-03 -3.7150000000e-04 -4.2497000000e-03 -8.2022000000e-03 -7.1786000000e-03  3.4589000000e-03 -1.1042000000e-03  8.7070000000e-04  2.6242000000e-03  5.7277000000e-03  5.3548000000e-03 -5.4337000000e-03
-
-JOB 196
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9067100000e-01  6.1740200000e-01 -4.3145600000e-01  4.3189400000e-01 -2.0591200000e-01  8.2903600000e-01  1.6983380000e+00  1.1564000000e-02  2.2696200000e+00  2.0944350000e+00  7.4494800000e-01  2.7402440000e+00  2.2570440000e+00 -1.1088800000e-01  1.5021010000e+00
-ENERGY -1.526560147911e+02
-FORCES  5.2479000000e-03  3.5385000000e-03  9.3816000000e-03 -5.2150000000e-04 -2.6641000000e-03  1.4262000000e-03  1.6713000000e-03 -2.8274000000e-03 -8.3807000000e-03  1.6988000000e-03  4.2909000000e-03 -8.8060000000e-04 -4.7180000000e-04 -3.8713000000e-03 -2.9548000000e-03 -7.6247000000e-03  1.5334000000e-03  1.4084000000e-03
-
-JOB 197
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7308600000e-01  3.1808800000e-01 -8.2210600000e-01 -9.4206800000e-01  1.4150800000e-01 -9.3352000000e-02  1.3173020000e+00  1.7552400000e+00  1.4868620000e+00  1.4854350000e+00  1.3834200000e+00  2.3527220000e+00  6.9231900000e-01  1.1524310000e+00  1.0840580000e+00
-ENERGY -1.526597206462e+02
-FORCES  3.5116000000e-03  5.1420000000e-03 -6.2730000000e-04 -3.2346000000e-03 -9.0840000000e-04  5.4325000000e-03  5.8742000000e-03  7.1670000000e-04  1.2151000000e-03 -8.7743000000e-03 -1.3682800000e-02 -7.3580000000e-03 -1.5527000000e-03  7.2000000000e-05 -2.7463000000e-03  4.1758000000e-03  8.6605000000e-03  4.0841000000e-03
-
-JOB 198
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6429500000e-01  2.1300200000e-01 -3.5193100000e-01  1.5319200000e-01  6.6011000000e-01  6.7603200000e-01 -1.1973420000e+00 -1.4351260000e+00  2.6386660000e+00 -2.4086000000e-01 -1.4516430000e+00  2.6718620000e+00 -1.4712700000e+00 -1.5656370000e+00  3.5465000000e+00
-ENERGY -1.526549700556e+02
-FORCES -5.8692000000e-03  2.6684000000e-03  2.4251000000e-03  4.0331000000e-03  1.6440000000e-04  1.8900000000e-05  8.7870000000e-04 -2.6866000000e-03 -2.5402000000e-03  4.0230000000e-03 -1.8614000000e-03  2.2417000000e-03 -4.2058000000e-03  6.7760000000e-04  2.0564000000e-03  1.1402000000e-03  1.0377000000e-03 -4.2020000000e-03
-
-JOB 199
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1568300000e-01  3.2764600000e-01 -3.7886900000e-01 -6.5096300000e-01  6.6691300000e-01 -2.1841800000e-01  1.9476000000e-02 -2.8944290000e+00  3.0649600000e-01  4.2378000000e-02 -2.0008270000e+00  6.4881500000e-01 -8.4726000000e-02 -3.4458740000e+00  1.0819210000e+00
-ENERGY -1.526599497048e+02
-FORCES -4.3100000000e-04  2.5126000000e-03 -3.9450000000e-03 -3.9765000000e-03 -7.1570000000e-04  1.9601000000e-03  3.6292000000e-03 -1.9195000000e-03  5.5880000000e-04 -8.4260000000e-04  6.4377000000e-03  2.0235000000e-03  1.5036000000e-03 -9.3079000000e-03  1.8316000000e-03  1.1720000000e-04  2.9928000000e-03 -2.4290000000e-03
-
-JOB 200
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1261400000e-01 -1.7667100000e-01 -8.8729400000e-01 -4.8673600000e-01 -7.8721700000e-01  2.4415100000e-01  1.5697100000e+00 -2.0662460000e+00  1.3939940000e+00  2.4757770000e+00 -2.3246850000e+00  1.2252240000e+00  1.4812910000e+00 -1.2117150000e+00  9.7186600000e-01
-ENERGY -1.526599385992e+02
-FORCES -4.7341000000e-03 -4.4772000000e-03 -3.4380000000e-03  3.2840000000e-04  4.1150000000e-04  5.2386000000e-03  4.3303000000e-03  4.7831000000e-03 -1.0761000000e-03  1.1601000000e-03  6.2628000000e-03 -2.3152000000e-03 -3.4449000000e-03  2.0045000000e-03 -4.3070000000e-04  2.3602000000e-03 -8.9847000000e-03  2.0214000000e-03
-
-JOB 201
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8026700000e-01  6.9203000000e-02  6.6983600000e-01 -3.2548000000e-01 -6.6690600000e-01 -6.0459100000e-01 -2.2263900000e-01  2.0353140000e+00 -2.1193540000e+00 -6.6544000000e-02  1.6381560000e+00 -1.2625390000e+00 -1.0775630000e+00  1.6987040000e+00 -2.3877370000e+00
-ENERGY -1.526594516325e+02
-FORCES -2.9268000000e-03 -4.8450000000e-03  9.4300000000e-05  2.8564000000e-03  4.3740000000e-04 -4.6051000000e-03  4.5060000000e-04  4.3576000000e-03  3.0701000000e-03 -1.1441000000e-03 -6.8594000000e-03  7.6055000000e-03 -1.8164000000e-03  6.5372000000e-03 -6.8094000000e-03  2.5803000000e-03  3.7220000000e-04  6.4460000000e-04
-
-JOB 202
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2688000000e-02  9.3856700000e-01  1.6349900000e-01  2.9073000000e-02 -3.9909800000e-01  8.6954400000e-01  2.9439410000e+00 -5.3699100000e-01  1.3663890000e+00  3.7599330000e+00 -1.2670200000e-01  1.6528330000e+00  2.2773980000e+00 -1.8177200000e-01  1.9544120000e+00
-ENERGY -1.526511376853e+02
-FORCES  2.5715000000e-03  1.3139000000e-03  3.2146000000e-03 -6.9680000000e-04 -3.8195000000e-03  2.5200000000e-05  1.2170000000e-04  2.6660000000e-03 -2.0958000000e-03  8.0160000000e-04  3.2250000000e-03  2.8587000000e-03 -3.7498000000e-03 -1.5768000000e-03 -1.6810000000e-03  9.5180000000e-04 -1.8085000000e-03 -2.3217000000e-03
-
-JOB 203
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4486500000e-01  5.3428000000e-02 -8.9131700000e-01 -1.2613600000e-01 -9.1486200000e-01  2.5169100000e-01  9.8158400000e-01  1.0918570000e+00 -2.8202400000e+00  1.7267110000e+00  1.6812550000e+00 -2.7035050000e+00  2.3363700000e-01  1.5792960000e+00 -2.4749730000e+00
-ENERGY -1.526545174016e+02
-FORCES  3.7590000000e-04 -4.3533000000e-03 -4.8728000000e-03 -2.0165000000e-03  2.3513000000e-03  4.3192000000e-03  5.7270000000e-04  3.5869000000e-03 -8.7640000000e-04  2.6955000000e-03  5.4078000000e-03  3.6763000000e-03 -3.1281000000e-03 -2.0024000000e-03 -1.7584000000e-03  1.5006000000e-03 -4.9904000000e-03 -4.8780000000e-04
-
-JOB 204
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4336600000e-01 -1.6055200000e-01  2.2715000000e-02 -2.9446300000e-01 -1.7289200000e-01  8.9422100000e-01  1.5472260000e+00 -1.1867210000e+00  2.7463150000e+00  1.4050550000e+00 -2.5751000000e-01  2.9268270000e+00  1.4332860000e+00 -1.6160820000e+00  3.5941940000e+00
-ENERGY -1.526565704451e+02
-FORCES  3.6109000000e-03 -4.6124000000e-03  4.4849000000e-03 -3.6760000000e-03  2.7028000000e-03 -1.2084000000e-03 -1.7770000000e-04  3.4496000000e-03 -3.2819000000e-03  5.9730000000e-04  6.2990000000e-04  6.0935000000e-03 -7.0770000000e-04 -4.4837000000e-03 -2.4303000000e-03  3.5330000000e-04  2.3138000000e-03 -3.6579000000e-03
-
-JOB 205
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6998200000e-01  7.0335100000e-01 -5.9045600000e-01 -9.4545100000e-01  1.1575500000e-01  9.4635000000e-02  1.8541680000e+00 -1.4919220000e+00 -1.8017670000e+00  2.7658920000e+00 -1.2360630000e+00 -1.6620260000e+00  1.4170240000e+00 -1.2828860000e+00 -9.7627300000e-01
-ENERGY -1.526602291495e+02
-FORCES -4.4106000000e-03  3.0564000000e-03 -2.9668000000e-03 -6.9750000000e-04 -3.7099000000e-03  3.6559000000e-03  4.0836000000e-03  7.7500000000e-04 -5.9980000000e-04 -1.8254000000e-03  1.2188000000e-03  6.4666000000e-03 -3.7946000000e-03  1.8210000000e-04 -2.5800000000e-04  6.6445000000e-03 -1.5224000000e-03 -6.2979000000e-03
-
-JOB 206
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0592000000e-01  8.4664400000e-01 -3.9626000000e-01 -4.6707400000e-01 -6.3762600000e-01 -5.3991400000e-01  1.4086420000e+00 -2.7941270000e+00 -5.3931300000e-01  6.6240600000e-01 -2.6752060000e+00  4.8241000000e-02  1.1751760000e+00 -3.5536120000e+00 -1.0730810000e+00
-ENERGY -1.526533603098e+02
-FORCES -8.2330000000e-04  1.1390000000e-03 -5.5602000000e-03  8.0420000000e-04 -3.4827000000e-03  1.4884000000e-03  4.8210000000e-04  1.2629000000e-03  4.3628000000e-03 -2.4529000000e-03 -2.0555000000e-03  2.4265000000e-03  1.4540000000e-03 -1.0035000000e-03 -4.5984000000e-03  5.3590000000e-04  4.1398000000e-03  1.8809000000e-03
-
-JOB 207
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4398000000e-01  2.9569000000e-02  6.0154000000e-01  1.4400100000e-01  7.3495200000e-01 -5.9610500000e-01 -9.7310000000e-02  1.7106460000e+00 -2.1904330000e+00 -5.8444600000e-01  1.2013180000e+00 -2.8381330000e+00  8.1423300000e-01  1.6543190000e+00 -2.4770480000e+00
-ENERGY -1.526597223489e+02
-FORCES -4.5090000000e-04  8.5418000000e-03 -7.3354000000e-03 -1.6139000000e-03  1.3710000000e-03 -3.7876000000e-03  4.4494000000e-03 -6.9030000000e-03  7.9588000000e-03 -1.1861000000e-03 -5.2451000000e-03 -3.4908000000e-03  3.3127000000e-03  3.3217000000e-03  2.3873000000e-03 -4.5111000000e-03 -1.0864000000e-03  4.2677000000e-03
-
-JOB 208
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7363700000e-01 -7.1976000000e-02 -5.5905000000e-01 -7.3941900000e-01 -5.2274000000e-02 -6.0560600000e-01 -1.5709450000e+00 -4.0764700000e-01 -2.1509420000e+00 -1.1247150000e+00 -1.1620880000e+00 -2.5355580000e+00 -1.4322600000e+00  2.9985500000e-01 -2.7805760000e+00
-ENERGY -1.526581109978e+02
-FORCES -8.9593000000e-03 -2.3856000000e-03 -1.5346200000e-02 -1.6452000000e-03 -1.9710000000e-04  9.5660000000e-04  4.8079000000e-03  1.7302000000e-03  7.2370000000e-03  6.1663000000e-03 -6.6100000000e-05  1.5743000000e-03 -1.1579000000e-03  5.1327000000e-03  1.8303000000e-03  7.8830000000e-04 -4.2141000000e-03  3.7480000000e-03
-
-JOB 209
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1774200000e-01 -6.8220600000e-01 -5.2565900000e-01  5.1883100000e-01  3.5213000000e-02  8.0362100000e-01  1.5660420000e+00  2.0457010000e+00 -1.5437490000e+00  1.6766290000e+00  2.9938640000e+00 -1.4731220000e+00  7.7147800000e-01  1.8588550000e+00 -1.0437610000e+00
-ENERGY -1.526601903626e+02
-FORCES  5.4520000000e-03 -4.9030000000e-03  6.0010000000e-04 -2.5086000000e-03  2.6741000000e-03  3.1045000000e-03 -2.6206000000e-03  5.3800000000e-04 -3.6217000000e-03 -5.1967000000e-03 -5.1570000000e-04  3.1150000000e-03 -1.0452000000e-03 -3.7893000000e-03  8.4940000000e-04  5.9192000000e-03  5.9959000000e-03 -4.0473000000e-03
-
-JOB 210
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9417300000e-01  1.7872700000e-01  8.5376600000e-01  9.4078700000e-01  1.0220600000e-01  1.4389200000e-01  2.5335950000e+00  5.0761100000e-01  2.1498800000e-01  2.9940850000e+00  5.1656800000e-01  1.0540940000e+00  2.8791350000e+00  1.2655950000e+00 -2.5649300000e-01
-ENERGY -1.526577785425e+02
-FORCES  1.9435700000e-02  4.4856000000e-03  3.1103000000e-03  2.8119000000e-03 -2.5200000000e-04 -1.5430000000e-03 -7.8391000000e-03 -2.3076000000e-03  5.8000000000e-05 -1.1491900000e-02  7.4590000000e-04 -1.2025000000e-03 -2.7928000000e-03  1.2127000000e-03 -4.4129000000e-03 -1.2390000000e-04 -3.8845000000e-03  3.9900000000e-03
-
-JOB 211
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4853300000e-01 -7.6503600000e-01  5.1882900000e-01  9.4471800000e-01  8.1877000000e-02  1.3051900000e-01 -1.8014710000e+00 -1.7393080000e+00  1.2941050000e+00 -2.5234130000e+00 -1.1921590000e+00  9.8481500000e-01 -1.5860490000e+00 -1.3868130000e+00  2.1575700000e+00
-ENERGY -1.526597407658e+02
-FORCES -3.4758000000e-03 -7.7412000000e-03  3.1767000000e-03  6.9630000000e-03  8.0664000000e-03 -1.1780000000e-03 -3.9317000000e-03 -1.7034000000e-03  1.1971000000e-03 -4.6970000000e-03  5.7330000000e-03  1.8340000000e-04  3.4145000000e-03 -3.2973000000e-03  2.4996000000e-03  1.7271000000e-03 -1.0576000000e-03 -5.8789000000e-03
-
-JOB 212
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0868700000e-01 -6.0874000000e-01  5.3563500000e-01 -3.9274500000e-01 -6.0673000000e-02 -8.7080600000e-01 -1.5709780000e+00 -1.4318400000e-01 -2.3883470000e+00 -2.3443730000e+00  1.4014100000e-01 -1.9006800000e+00 -1.4770930000e+00  5.0454300000e-01 -3.0868220000e+00
-ENERGY -1.526606788452e+02
-FORCES -5.7823000000e-03 -3.6215000000e-03 -9.2681000000e-03  4.9760000000e-04  2.4369000000e-03 -1.8854000000e-03  3.5300000000e-03  1.8059000000e-03  9.7714000000e-03 -2.5762000000e-03  4.1143000000e-03 -1.1349000000e-03  5.4088000000e-03 -1.7106000000e-03 -1.3909000000e-03 -1.0779000000e-03 -3.0250000000e-03  3.9079000000e-03
-
-JOB 213
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.4052800000e-01 -1.9004900000e-01 -4.1668500000e-01  2.0808300000e-01  6.4318000000e-01  6.7768200000e-01  1.7052000000e-01  1.8561780000e+00  2.0796460000e+00 -6.4731500000e-01  1.5633250000e+00  2.4816590000e+00  8.4433000000e-01  1.6467810000e+00  2.7264570000e+00
-ENERGY -1.526610370871e+02
-FORCES  3.4652000000e-03  9.3599000000e-03  7.5746000000e-03 -1.8738000000e-03  1.2463000000e-03  2.4868000000e-03 -1.5607000000e-03 -9.1743000000e-03 -6.7517000000e-03 -2.0017000000e-03 -2.3354000000e-03  3.4914000000e-03  5.4730000000e-03  7.2210000000e-04 -2.7195000000e-03 -3.5019000000e-03  1.8140000000e-04 -4.0816000000e-03
-
-JOB 214
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2781100000e-01 -3.4087300000e-01  3.3877300000e-01 -1.2975100000e-01 -4.6349000000e-01 -8.2738900000e-01  2.1258000000e-02 -1.6814890000e+00 -2.0991320000e+00  7.4699500000e-01 -1.8266300000e+00 -2.7061500000e+00  7.0160000000e-02 -2.4155150000e+00 -1.4867230000e+00
-ENERGY -1.526579156517e+02
-FORCES  3.1728000000e-03 -8.9981000000e-03 -1.3906300000e-02 -2.2992000000e-03 -1.7690000000e-04 -7.1780000000e-04 -1.9445000000e-03  1.7445000000e-03  8.5476000000e-03  3.2615000000e-03  2.0988000000e-03  4.1786000000e-03 -3.3030000000e-03 -7.3910000000e-04  4.0634000000e-03  1.1124000000e-03  6.0708000000e-03 -2.1655000000e-03
-
-JOB 215
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3785200000e-01 -5.6500800000e-01 -7.3513500000e-01 -5.7327400000e-01 -2.8035300000e-01  7.1343600000e-01 -6.2551200000e-01  2.9393310000e+00  1.2266930000e+00 -5.4190000000e-02  2.2716320000e+00  1.6061680000e+00 -1.7162000000e-01  3.2201680000e+00  4.3212200000e-01
-ENERGY -1.526559300753e+02
-FORCES -4.9105000000e-03 -3.1211000000e-03 -7.1830000000e-04  8.5790000000e-04  2.3196000000e-03  3.0150000000e-03  3.6701000000e-03  1.0738000000e-03 -2.2334000000e-03  5.3805000000e-03 -4.2435000000e-03 -4.6087000000e-03 -3.0859000000e-03  2.8191000000e-03  1.1929000000e-03 -1.9121000000e-03  1.1521000000e-03  3.3524000000e-03
-
-JOB 216
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4951800000e-01  6.9906500000e-01 -4.7484000000e-01  5.1519400000e-01 -1.1779200000e-01  7.9808000000e-01 -1.2920890000e+00 -3.2200810000e+00 -8.8651400000e-01 -7.4123300000e-01 -3.3000930000e+00 -1.0780500000e-01 -1.3365690000e+00 -4.1079980000e+00 -1.2412780000e+00
-ENERGY -1.526527074362e+02
-FORCES  3.7321000000e-03  3.0491000000e-03  2.6660000000e-04 -1.8636000000e-03 -2.7528000000e-03  2.2250000000e-03 -2.3281000000e-03 -4.9610000000e-04 -3.2844000000e-03  2.6158000000e-03 -2.6997000000e-03  2.3269000000e-03 -2.3547000000e-03 -1.0362000000e-03 -2.7483000000e-03  1.9860000000e-04  3.9356000000e-03  1.2142000000e-03
-
-JOB 217
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3362500000e-01 -1.2261000000e-02  8.5325900000e-01  8.9692200000e-01  2.7469500000e-01  1.9054000000e-01  1.4260580000e+00  3.3002140000e+00 -8.2432900000e-01  2.1375780000e+00  3.4258510000e+00 -1.9648600000e-01  1.5590680000e+00  3.9864390000e+00 -1.4782680000e+00
-ENERGY -1.526536376649e+02
-FORCES  2.2004000000e-03  3.1439000000e-03  3.3272000000e-03  1.7065000000e-03 -2.2640000000e-04 -3.2244000000e-03 -3.1519000000e-03 -2.8256000000e-03  4.4430000000e-04  2.8599000000e-03  4.2852000000e-03 -1.2642000000e-03 -3.1527000000e-03 -1.6296000000e-03 -2.2671000000e-03 -4.6210000000e-04 -2.7476000000e-03  2.9842000000e-03
-
-JOB 218
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2122900000e-01 -5.9959700000e-01  4.1326800000e-01 -3.2817200000e-01  8.7263100000e-01  2.1691000000e-01 -1.9343230000e+00 -1.5200620000e+00  1.0729710000e+00 -2.0038370000e+00 -2.4737950000e+00  1.0306290000e+00 -1.7740650000e+00 -1.3319380000e+00  1.9977190000e+00
-ENERGY -1.526588738052e+02
-FORCES -1.3841300000e-02 -8.2573000000e-03  4.8459000000e-03  7.8487000000e-03  6.2817000000e-03  6.8350000000e-04  4.4560000000e-04 -2.9624000000e-03  7.3080000000e-04  4.1587000000e-03 -2.6000000000e-04 -1.1543000000e-03  3.1150000000e-04  5.2018000000e-03  1.5375000000e-03  1.0768000000e-03 -3.7000000000e-06 -6.6435000000e-03
-
-JOB 219
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9582800000e-01  5.5903500000e-01 -4.9869900000e-01  8.7428100000e-01  2.7165000000e-01 -2.7941200000e-01 -3.0674020000e+00  5.4390700000e-01  8.9051900000e-01 -3.6901770000e+00  5.7810000000e-02  1.4309750000e+00 -3.1928340000e+00  1.9570800000e-01  7.7640000000e-03
-ENERGY -1.526533042046e+02
-FORCES -1.0840000000e-04  4.6572000000e-03 -1.7811000000e-03  2.6199000000e-03 -3.4343000000e-03 -4.7210000000e-04 -3.7296000000e-03 -1.1421000000e-03  1.5151000000e-03 -2.5608000000e-03 -5.2054000000e-03  2.5850000000e-04  2.0564000000e-03  2.2912000000e-03 -2.2712000000e-03  1.7224000000e-03  2.8335000000e-03  2.7507000000e-03
-
-JOB 220
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9460500000e-01  2.1699800000e-01  7.9025900000e-01  1.2215500000e-01  7.5570400000e-01 -5.7464900000e-01  1.4990500000e+00 -2.7247950000e+00  6.5250000000e-01  2.0407810000e+00 -1.9381370000e+00  5.8982900000e-01  1.8249940000e+00 -3.1793900000e+00  1.4292460000e+00
-ENERGY -1.526522568059e+02
-FORCES  7.8190000000e-04  3.5047000000e-03  1.6420000000e-03 -5.1050000000e-04 -1.0460000000e-03 -3.8750000000e-03 -1.1640000000e-04 -3.8985000000e-03  2.4314000000e-03  2.8213000000e-03  2.0929000000e-03  9.5010000000e-04 -1.0578000000e-03 -3.1909000000e-03  1.9864000000e-03 -1.9185000000e-03  2.5378000000e-03 -3.1349000000e-03
-
-JOB 221
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6155400000e-01  4.2224500000e-01 -5.4798500000e-01 -1.7470000000e-03  5.0996300000e-01  8.1004100000e-01 -1.8048460000e+00  1.8340030000e+00 -9.9057700000e-01 -1.3791530000e+00  1.0382940000e+00 -6.7141400000e-01 -2.7008370000e+00  1.5630940000e+00 -1.1906760000e+00
-ENERGY -1.526608407288e+02
-FORCES  3.5564000000e-03  5.5031000000e-03  3.7830000000e-04 -5.0917000000e-03 -1.7957000000e-03  2.9911000000e-03 -2.0145000000e-03 -2.0689000000e-03 -5.9034000000e-03  5.2682000000e-03 -1.0764800000e-02  3.2355000000e-03 -5.1843000000e-03  9.7779000000e-03 -2.0810000000e-03  3.4659000000e-03 -6.5160000000e-04  1.3795000000e-03
-
-JOB 222
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7288100000e-01 -7.8091000000e-01 -5.2585500000e-01 -2.3652100000e-01 -2.5414800000e-01  8.9201900000e-01  2.7838620000e+00 -1.5848300000e-01  4.9938000000e-02  2.7635650000e+00 -1.0149120000e+00 -3.7708400000e-01  1.8662090000e+00  1.1055600000e-01  9.1923000000e-02
-ENERGY -1.526589785280e+02
-FORCES  4.1000000000e-04 -4.8811000000e-03  8.7750000000e-04  2.3375000000e-03  3.5191000000e-03  3.3051000000e-03  2.6972000000e-03  9.6160000000e-04 -5.1903000000e-03 -1.4601600000e-02 -3.4540000000e-04 -2.2600000000e-03 -4.0520000000e-04  1.8691000000e-03  1.1334000000e-03  9.5621000000e-03 -1.1233000000e-03  2.1343000000e-03
-
-JOB 223
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2817900000e-01  4.1912800000e-01 -2.3384300000e-01 -6.6720900000e-01  6.5382100000e-01 -2.0876500000e-01 -1.7227540000e+00  1.8380000000e+00 -9.3234400000e-01 -2.6784140000e+00  1.8768730000e+00 -8.9447200000e-01 -1.5205940000e+00  1.8096490000e+00 -1.8675230000e+00
-ENERGY -1.526597620259e+02
-FORCES -9.2747000000e-03  1.2553400000e-02 -4.0416000000e-03 -2.9035000000e-03 -6.8130000000e-04 -6.7860000000e-04  6.8671000000e-03 -6.3539000000e-03  1.3967000000e-03  1.4332000000e-03 -5.5864000000e-03 -3.8860000000e-04  4.9056000000e-03 -4.9200000000e-05 -1.6478000000e-03 -1.0277000000e-03  1.1740000000e-04  5.3600000000e-03
-
-JOB 224
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5708700000e-01 -8.3751000000e-01 -3.8563500000e-01 -9.5480700000e-01 -4.2895000000e-02  5.2308000000e-02  3.7939400000e-01 -3.0936120000e+00  1.5993230000e+00  3.1869000000e-01 -2.9441120000e+00  6.5582100000e-01  1.3192940000e+00 -3.1096930000e+00  1.7797740000e+00
-ENERGY -1.526516584780e+02
-FORCES -3.6610000000e-03 -3.6750000000e-03  4.3440000000e-04 -5.1440000000e-04  1.2982000000e-03  1.4224000000e-03  4.1559000000e-03  3.8990000000e-04 -1.0393000000e-03  4.3652000000e-03  1.5139000000e-03 -1.9778000000e-03 -2.2160000000e-04  9.3520000000e-04  2.2243000000e-03 -4.1241000000e-03 -4.6220000000e-04 -1.0641000000e-03
-
-JOB 225
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1860800000e-01  2.5085000000e-02 -2.6788300000e-01 -4.7407400000e-01 -2.5372200000e-01 -7.9190300000e-01 -6.3170600000e-01  2.6631590000e+00 -1.9316900000e+00 -1.5392750000e+00  2.6963260000e+00 -1.6292830000e+00 -1.1153600000e-01  2.6461440000e+00 -1.1283440000e+00
-ENERGY -1.526571788137e+02
-FORCES  1.5263000000e-03 -1.9812000000e-03 -6.1031000000e-03 -3.7063000000e-03  8.3650000000e-04  1.6698000000e-03  1.6132000000e-03  1.7130000000e-04  4.4154000000e-03 -1.6641000000e-03 -4.0120000000e-04  6.8252000000e-03  3.1998000000e-03 -2.4090000000e-04 -2.0461000000e-03 -9.6890000000e-04  1.6154000000e-03 -4.7613000000e-03
-
-JOB 226
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3711400000e-01  2.3745000000e-01 -3.9885900000e-01 -1.7673800000e-01  7.0394000000e-01  6.2407100000e-01  1.1129300000e-01  1.8409620000e+00  1.9246020000e+00  7.3963900000e-01  1.6329910000e+00  2.6160940000e+00 -1.0188000000e-02  2.7883220000e+00  1.9877120000e+00
-ENERGY -1.526592050946e+02
-FORCES  2.6471000000e-03  1.2849000000e-02  1.0271600000e-02 -1.6738000000e-03 -9.5400000000e-04  9.6780000000e-04 -1.5188000000e-03 -5.1562000000e-03 -4.8459000000e-03  1.4479000000e-03 -5.1594000000e-03 -3.6837000000e-03 -2.8310000000e-03  3.1997000000e-03 -3.1342000000e-03  1.9286000000e-03 -4.7791000000e-03  4.2440000000e-04
-
-JOB 227
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1462900000e-01  1.3701400000e-01  7.9537100000e-01  4.5572700000e-01  5.0798200000e-01 -6.7119200000e-01  1.6924400000e+00 -4.6494300000e-01  2.3237530000e+00  2.4474320000e+00 -6.0077900000e-01  1.7512440000e+00  1.8452470000e+00 -1.0504370000e+00  3.0654260000e+00
-ENERGY -1.526589292559e+02
-FORCES  3.9307000000e-03  9.5490000000e-04  6.2270000000e-03 -1.5998000000e-03  2.1191000000e-03 -9.0718000000e-03 -1.8700000000e-04 -2.3493000000e-03  3.1057000000e-03  1.2198000000e-03 -5.0520000000e-03  1.2093000000e-03 -4.4841000000e-03  1.9641000000e-03  1.9754000000e-03  1.1204000000e-03  2.3631000000e-03 -3.4457000000e-03
-
-JOB 228
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6220800000e-01  9.4287100000e-01 -3.0228000000e-02 -9.0744700000e-01 -9.6779000000e-02 -2.8880000000e-01 -1.0437000000e-02 -2.1599920000e+00  1.9632800000e+00  3.3941500000e-01 -1.4417850000e+00  1.4360090000e+00 -2.7929000000e-02 -2.9088350000e+00  1.3673270000e+00
-ENERGY -1.526607431289e+02
-FORCES -4.3540000000e-03  2.6345000000e-03 -2.3110000000e-04 -1.5646000000e-03 -4.1875000000e-03 -1.1890000000e-04  4.6592000000e-03  1.1201000000e-03  3.7310000000e-04  2.1413000000e-03  5.0194000000e-03 -7.6562000000e-03 -1.5460000000e-04 -7.0629000000e-03  5.9402000000e-03 -7.2730000000e-04  2.4764000000e-03  1.6928000000e-03
-
-JOB 229
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2935000000e-01  8.4750300000e-01  2.9916200000e-01  9.4871100000e-01  1.1603000000e-01 -5.2124000000e-02 -1.4910350000e+00  1.7516590000e+00  1.4942020000e+00 -2.3388880000e+00  1.5064690000e+00  1.1237170000e+00 -1.3938940000e+00  1.1903320000e+00  2.2634280000e+00
-ENERGY -1.526606541337e+02
-FORCES -4.2996000000e-03  9.9637000000e-03  5.5029000000e-03  4.8602000000e-03 -7.4643000000e-03 -5.9107000000e-03 -3.5188000000e-03  9.0370000000e-04  1.5983000000e-03 -1.5621000000e-03 -7.6213000000e-03  1.2191000000e-03  5.1419000000e-03  8.6740000000e-04  1.4064000000e-03 -6.2160000000e-04  3.3508000000e-03 -3.8161000000e-03
-
-JOB 230
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4399700000e-01 -7.0740000000e-02  7.8440700000e-01 -3.3514800000e-01  7.7220300000e-01 -4.5564300000e-01 -2.0037140000e+00  1.7870810000e+00 -1.0136350000e+00 -1.7706240000e+00  1.5928160000e+00 -1.9214680000e+00 -2.0833020000e+00  2.7405390000e+00 -9.8506000000e-01
-ENERGY -1.526588606886e+02
-FORCES -1.0435900000e-02  7.5438000000e-03  3.7100000000e-04  2.8989000000e-03 -1.0405000000e-03 -1.0952000000e-03  6.6494000000e-03 -4.3300000000e-03 -2.1976000000e-03 -1.5060000000e-03  1.7667000000e-03 -3.2604000000e-03  1.5220000000e-03  1.1743000000e-03  6.4028000000e-03  8.7170000000e-04 -5.1143000000e-03 -2.2040000000e-04
-
-JOB 231
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7099400000e-01 -1.7171100000e-01  5.4066100000e-01  2.9828700000e-01  6.3893000000e-01 -6.4732200000e-01 -1.4859470000e+00 -3.5900110000e+00  6.4434800000e-01 -1.6518250000e+00 -4.2717110000e+00 -6.8070000000e-03 -5.3545500000e-01 -3.5923510000e+00  7.5744700000e-01
-ENERGY -1.526528085897e+02
-FORCES  3.9182000000e-03  2.3608000000e-03 -3.0670000000e-04 -3.0756000000e-03  6.7100000000e-05 -2.3445000000e-03 -1.3168000000e-03 -2.7753000000e-03  2.6646000000e-03  3.4211000000e-03 -1.5268000000e-03 -2.9236000000e-03  5.5550000000e-04  2.5761000000e-03  2.7193000000e-03 -3.5024000000e-03 -7.0200000000e-04  1.9090000000e-04
-
-JOB 232
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7651500000e-01  7.1433200000e-01 -6.1221200000e-01 -9.5250400000e-01 -5.1700000000e-03  9.4561000000e-02  1.4476700000e+00 -2.0447140000e+00 -1.3338330000e+00  8.2045800000e-01 -1.7779220000e+00 -6.6177700000e-01  1.4764430000e+00 -2.9993380000e+00 -1.2698240000e+00
-ENERGY -1.526600846393e+02
-FORCES -3.9350000000e-04  4.1692000000e-03 -4.6887000000e-03 -2.3225000000e-03 -2.3498000000e-03  3.8078000000e-03  4.5889000000e-03 -9.9340000000e-04 -8.6760000000e-04 -4.2555000000e-03  3.6750000000e-03  5.3865000000e-03  3.9182000000e-03 -8.3100000000e-03 -4.5165000000e-03 -1.5355000000e-03  3.8090000000e-03  8.7850000000e-04
-
-JOB 233
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1712000000e-02 -7.3899600000e-01  6.0413100000e-01  6.9212700000e-01 -2.5502700000e-01 -6.1004300000e-01 -1.1370310000e+00 -3.0783350000e+00 -7.4403600000e-01 -1.4551140000e+00 -3.1340620000e+00 -1.6451180000e+00 -1.5787590000e+00 -3.7952040000e+00 -2.8883700000e-01
-ENERGY -1.526561571063e+02
-FORCES  9.6780000000e-04 -7.4779000000e-03 -8.8570000000e-04  1.5118000000e-03  5.0344000000e-03  1.8500000000e-05 -1.8701000000e-03  2.2557000000e-03  1.8941000000e-03 -4.1862000000e-03 -2.5251000000e-03 -3.1217000000e-03  1.5674000000e-03 -6.3030000000e-04  3.7078000000e-03  2.0094000000e-03  3.3432000000e-03 -1.6130000000e-03
-
-JOB 234
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4975300000e-01 -3.9852600000e-01  4.4190400000e-01 -1.0001000000e-02 -3.7923800000e-01 -8.7881200000e-01 -1.3329010000e+00  1.0404070000e+00 -3.0556630000e+00 -4.2789700000e-01  1.3148630000e+00 -3.2035600000e+00 -1.7435580000e+00  1.7898770000e+00 -2.6245160000e+00
-ENERGY -1.526567613779e+02
-FORCES -4.6053000000e-03 -3.3457000000e-03 -3.3902000000e-03  3.0103000000e-03  1.6333000000e-03 -1.0853000000e-03  2.4186000000e-03  9.5500000000e-04  4.7089000000e-03  1.5800000000e-03  6.0572000000e-03  1.7504000000e-03 -3.5888000000e-03 -2.2819000000e-03  6.6280000000e-04  1.1852000000e-03 -3.0178000000e-03 -2.6465000000e-03
-
-JOB 235
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2835000000e-01  5.4964000000e-02  2.2666700000e-01  3.0994100000e-01 -7.8765400000e-01  4.4695600000e-01  1.7392010000e+00 -1.6271010000e+00  1.4009400000e+00  2.6893190000e+00 -1.5493640000e+00  1.3145450000e+00  1.5763470000e+00 -1.5471860000e+00  2.3407930000e+00
-ENERGY -1.526591844225e+02
-FORCES  5.6319000000e-03 -7.1102000000e-03  4.8771000000e-03  3.8887000000e-03 -1.3064000000e-03  1.0283000000e-03 -8.4044000000e-03  4.5155000000e-03 -3.0376000000e-03  2.4666000000e-03  5.4396000000e-03 -5.2630000000e-04 -3.7930000000e-03 -1.1484000000e-03  2.3266000000e-03  2.1010000000e-04 -3.9010000000e-04 -4.6681000000e-03
-
-JOB 236
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8840400000e-01  8.9623000000e-02  5.3536700000e-01  1.3510400000e-01  6.0503200000e-01 -7.2932500000e-01 -2.0175700000e-01 -1.8897150000e+00 -2.2884340000e+00  4.3915700000e-01 -1.3653780000e+00 -2.7685710000e+00 -2.6857300000e-01 -1.4636480000e+00 -1.4338970000e+00
-ENERGY -1.526588946567e+02
-FORCES  4.0879000000e-03  3.8531000000e-03  1.1578000000e-03 -3.7028000000e-03  3.0810000000e-04 -3.2472000000e-03  2.5700000000e-05 -5.6999000000e-03  2.2069000000e-03  2.5463000000e-03  5.3920000000e-03  7.1396000000e-03 -2.2487000000e-03 -6.2180000000e-04  1.6475000000e-03 -7.0840000000e-04 -3.2315000000e-03 -8.9046000000e-03
-
-JOB 237
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3162000000e-01 -2.9312500000e-01 -5.4317800000e-01 -4.3108000000e-02 -5.5356500000e-01  7.7970500000e-01 -7.3645000000e-02  2.8112250000e+00  8.2186000000e-02 -2.6127500000e-01  1.9051430000e+00  3.2722400000e-01 -2.8834500000e-01  3.3205530000e+00  8.6367200000e-01
-ENERGY -1.526596036595e+02
-FORCES -1.1222000000e-03 -3.5178000000e-03 -1.3818000000e-03  3.4556000000e-03  2.0274000000e-03  3.9675000000e-03 -5.7600000000e-04  3.9417000000e-03 -3.6655000000e-03  4.4130000000e-04 -9.6521000000e-03  1.6587000000e-03 -2.8433000000e-03  1.0649800000e-02  1.3576000000e-03  6.4460000000e-04 -3.4490000000e-03 -1.9364000000e-03
-
-JOB 238
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0944100000e-01  3.8640900000e-01  5.1343300000e-01  7.9787600000e-01  2.5449400000e-01  4.6352800000e-01  3.0346320000e+00 -1.8253250000e+00  1.1170660000e+00  2.2510480000e+00 -1.7817810000e+00  1.6650910000e+00  2.8232780000e+00 -2.4757700000e+00  4.4737800000e-01
-ENERGY -1.526561267292e+02
-FORCES  8.4960000000e-04  3.9341000000e-03  2.7961000000e-03  3.1819000000e-03 -1.9565000000e-03 -1.7975000000e-03 -5.0415000000e-03 -1.5328000000e-03 -9.9660000000e-04 -4.2466000000e-03 -4.2869000000e-03 -1.2204000000e-03  3.6285000000e-03  1.3998000000e-03 -1.9348000000e-03  1.6281000000e-03  2.4422000000e-03  3.1531000000e-03
-
-JOB 239
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1869500000e-01  7.3345300000e-01  5.7484900000e-01  9.5409500000e-01  2.7640000000e-02 -7.1902000000e-02  1.4423180000e+00  2.6972760000e+00  7.9993000000e-01  2.2822560000e+00  2.9210190000e+00  3.9908800000e-01  7.9690100000e-01  2.8619670000e+00  1.1251100000e-01
-ENERGY -1.526570254490e+02
-FORCES  5.7891000000e-03  4.4958000000e-03  5.1108000000e-03 -2.3604000000e-03 -1.7878000000e-03 -4.0978000000e-03 -3.4207000000e-03 -1.9085000000e-03 -2.0348000000e-03  1.5582000000e-03  3.1572000000e-03 -4.8215000000e-03 -3.7812000000e-03 -1.5489000000e-03  1.4935000000e-03  2.2151000000e-03 -2.4078000000e-03  4.3498000000e-03
-
-JOB 240
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3935500000e-01  7.6949800000e-01 -5.1654000000e-01 -5.7141400000e-01  3.8570000000e-02  7.6696200000e-01 -4.3534900000e-01 -2.6683900000e+00  1.4503700000e+00 -2.0634200000e-01 -3.2049020000e+00  2.2092790000e+00  4.4891000000e-02 -3.0640840000e+00  7.2302700000e-01
-ENERGY -1.526566735873e+02
-FORCES -3.9642000000e-03  1.3796000000e-03  3.2418000000e-03  7.9880000000e-04 -3.4457000000e-03  2.1673000000e-03  2.2883000000e-03  3.5074000000e-03 -4.2283000000e-03  4.1398000000e-03 -3.4560000000e-03 -2.1867000000e-03 -8.8770000000e-04  2.5413000000e-03 -3.0807000000e-03 -2.3750000000e-03 -5.2650000000e-04  4.0866000000e-03
-
-JOB 241
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1567300000e-01 -7.7995800000e-01 -5.4269400000e-01 -6.7649000000e-02 -3.3708400000e-01  8.9332500000e-01  1.0401270000e+00 -1.8665310000e+00 -2.4146780000e+00  1.2109730000e+00 -2.7704670000e+00 -2.6791430000e+00  1.7808650000e+00 -1.3704460000e+00 -2.7631580000e+00
-ENERGY -1.526600848905e+02
-FORCES  8.1590000000e-04 -5.8582000000e-03 -1.3550000000e-03 -2.3570000000e-03  5.7142000000e-03  6.7354000000e-03  3.0610000000e-04  9.0010000000e-04 -3.2009000000e-03  4.6196000000e-03 -1.5906000000e-03 -4.2715000000e-03 -2.6750000000e-04  4.0473000000e-03  9.6660000000e-04 -3.1172000000e-03 -3.2128000000e-03  1.1254000000e-03
-
-JOB 242
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7831000000e-01  1.5655100000e-01 -6.5697700000e-01 -8.1646900000e-01 -2.3961000000e-02 -4.9903500000e-01 -1.5828760000e+00 -3.2751080000e+00 -6.0728200000e-01 -1.9135960000e+00 -4.1282810000e+00 -3.2629700000e-01 -1.9077040000e+00 -2.6625930000e+00  5.2675000000e-02
-ENERGY -1.526548229719e+02
-FORCES  5.2520000000e-04 -3.0620000000e-04 -6.0112000000e-03 -2.6103000000e-03  2.2370000000e-04  2.8485000000e-03  2.5071000000e-03  8.8900000000e-05  3.2687000000e-03 -1.7570000000e-03 -1.2487000000e-03  4.9130000000e-03  1.4096000000e-03  3.4570000000e-03 -1.1478000000e-03 -7.4600000000e-05 -2.2146000000e-03 -3.8712000000e-03
-
-JOB 243
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9650100000e-01  3.2710000000e-01  5.6931900000e-01 -8.0927900000e-01  2.0899400000e-01  4.6649800000e-01 -9.8235400000e-01 -1.5878480000e+00 -2.1966220000e+00 -1.0450790000e+00 -8.6911200000e-01 -1.5675630000e+00 -4.4823000000e-02 -1.6747820000e+00 -2.3689860000e+00
-ENERGY -1.526571807393e+02
-FORCES  6.4580000000e-04  3.2530000000e-04  2.8833000000e-03 -3.5171000000e-03 -1.5913000000e-03 -1.9076000000e-03  3.3901000000e-03 -1.4818000000e-03 -4.4929000000e-03  8.4096000000e-03  5.5251000000e-03  7.0630000000e-03 -6.1735000000e-03 -1.3960000000e-03 -1.7807000000e-03 -2.7548000000e-03 -1.3814000000e-03 -1.7651000000e-03
-
-JOB 244
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4517800000e-01 -9.1634300000e-01 -2.3552300000e-01  5.1779000000e-02  4.5809400000e-01 -8.3886800000e-01  1.5768450000e+00  1.7336880000e+00  1.1541910000e+00  1.2054330000e+00  1.8407220000e+00  2.0298790000e+00  1.0591490000e+00  1.0328170000e+00  7.5795600000e-01
-ENERGY -1.526580463271e+02
-FORCES  6.9303000000e-03  3.9006000000e-03  3.1749000000e-03 -4.6780000000e-04  5.3265000000e-03 -6.1950000000e-04  1.7742000000e-03 -2.8918000000e-03  6.3286000000e-03 -1.1482100000e-02 -1.3447400000e-02 -3.7337000000e-03  7.3000000000e-04 -8.8270000000e-04 -2.1739000000e-03  2.5154000000e-03  7.9948000000e-03 -2.9763000000e-03
-
-JOB 245
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5281300000e-01  2.4947300000e-01  8.5411900000e-01  9.0436300000e-01  3.1335000000e-01  1.3092000000e-02  7.9440100000e-01 -1.0937560000e+00 -2.9248010000e+00  1.0934460000e+00 -1.3013410000e+00 -3.8100760000e+00  1.4165990000e+00 -4.3860700000e-01 -2.6087610000e+00
-ENERGY -1.526513745899e+02
-FORCES  1.8352000000e-03  1.7735000000e-03  4.0483000000e-03  1.2901000000e-03 -1.3072000000e-03 -3.8786000000e-03 -3.2959000000e-03 -1.1390000000e-03 -1.6575000000e-03  3.2523000000e-03  2.5322000000e-03 -1.5685000000e-03 -1.7329000000e-03  7.1340000000e-04  3.9786000000e-03 -1.3488000000e-03 -2.5729000000e-03 -9.2240000000e-04
-
-JOB 246
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1882200000e-01 -9.7393000000e-02 -4.8608400000e-01  6.7088500000e-01  9.3624000000e-02 -6.7629900000e-01 -1.9130280000e+00  4.2200000000e-04 -1.9432470000e+00 -1.8032140000e+00  7.4742600000e-01 -2.5315990000e+00 -2.8610480000e+00 -9.9502000000e-02 -1.8566200000e+00
-ENERGY -1.526593961918e+02
-FORCES -9.0052000000e-03 -7.5990000000e-04 -1.3028800000e-02  4.1600000000e-03 -4.7630000000e-04  7.2673000000e-03 -1.1433000000e-03  6.9670000000e-04  1.8130000000e-03  2.0638000000e-03  3.4256000000e-03  1.8061000000e-03 -1.1440000000e-03 -4.1882000000e-03  2.4066000000e-03  5.0688000000e-03  1.3020000000e-03 -2.6420000000e-04
-
-JOB 247
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8363200000e-01 -5.8762700000e-01  5.8054000000e-01 -5.0776000000e-02 -4.1700800000e-01 -8.6009200000e-01 -1.6701400000e-01  2.5774070000e+00  1.4184100000e-01  6.5987200000e-01  2.7994300000e+00  5.6985800000e-01 -1.1885500000e-01  1.6315960000e+00  2.7220000000e-03
-ENERGY -1.526584100061e+02
-FORCES -3.4256000000e-03  1.1034700000e-02  1.7585000000e-03  2.9389000000e-03  1.4899000000e-03 -4.4224000000e-03 -5.6020000000e-04  2.2074000000e-03  5.2697000000e-03  2.9767000000e-03 -2.0800900000e-02  5.7200000000e-05 -1.9348000000e-03 -1.4727000000e-03 -8.6080000000e-04  4.9000000000e-06  7.5415000000e-03 -1.8022000000e-03
-
-JOB 248
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3347100000e-01  3.1409700000e-01  8.9429300000e-01  8.5244100000e-01 -4.3479300000e-01  2.3065000000e-02 -1.4876950000e+00 -2.1756290000e+00  1.7595630000e+00 -7.2606300000e-01 -1.8170500000e+00  1.3039650000e+00 -1.3802800000e+00 -3.1246820000e+00  1.6963830000e+00
-ENERGY -1.526557089094e+02
-FORCES  2.8940000000e-03  4.3041000000e-03  2.0175000000e-03  1.0164000000e-03 -4.4518000000e-03 -4.4788000000e-03 -5.8112000000e-03 -2.5130000000e-04  1.1146000000e-03  2.8417000000e-03 -8.6510000000e-04 -5.2005000000e-03 -1.0646000000e-03 -2.6158000000e-03  6.6519000000e-03  1.2370000000e-04  3.8800000000e-03 -1.0480000000e-04
-
-JOB 249
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2021000000e-01 -3.7990500000e-01  6.2228900000e-01 -1.5036600000e-01 -4.8194500000e-01 -8.1323500000e-01 -1.0282550000e+00  1.6574930000e+00  2.9950910000e+00 -1.4112950000e+00  8.8621200000e-01  3.4129880000e+00 -1.0153900000e-01  1.6236370000e+00  3.2323280000e+00
-ENERGY -1.526541646934e+02
-FORCES -4.1431000000e-03 -2.3191000000e-03 -3.6590000000e-04  3.1830000000e-03 -4.8520000000e-04 -2.8194000000e-03  5.2420000000e-04  2.0484000000e-03  3.4312000000e-03  3.3222000000e-03 -1.6275000000e-03  2.9004000000e-03  1.5451000000e-03  2.4461000000e-03 -2.9662000000e-03 -4.4314000000e-03 -6.2800000000e-05 -1.8010000000e-04
-
-JOB 250
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9407000000e-02  7.7915800000e-01  5.5165900000e-01 -5.6000000000e-02 -7.2804000000e-01  6.1891300000e-01 -1.7578000000e-01  1.7165380000e+00  2.1581090000e+00 -2.3777300000e-01  2.6614220000e+00  2.2980460000e+00 -9.4558500000e-01  1.3575580000e+00  2.5994310000e+00
-ENERGY -1.526596597095e+02
-FORCES  6.9270000000e-04  7.1165000000e-03  1.2161500000e-02  5.8900000000e-05 -4.7613000000e-03 -7.1178000000e-03 -9.8840000000e-04  1.5811000000e-03 -1.6225000000e-03 -3.4814000000e-03 -8.6440000000e-04 -9.6900000000e-04 -5.2660000000e-04 -4.9292000000e-03 -5.0270000000e-04  4.2448000000e-03  1.8573000000e-03 -1.9494000000e-03
-
-JOB 251
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1450600000e-01 -4.2961000000e-01  5.9502100000e-01 -2.2342400000e-01 -3.4371600000e-01 -8.6497000000e-01 -1.0324200000e-01 -1.5918950000e+00 -2.2813720000e+00 -7.6584000000e-02 -2.2766140000e+00 -1.6130300000e+00  5.6758000000e-01 -1.8480790000e+00 -2.9143010000e+00
-ENERGY -1.526586372655e+02
-FORCES -2.3921000000e-03 -4.3677000000e-03 -9.4812000000e-03  2.5573000000e-03 -5.2440000000e-04 -3.1464000000e-03 -1.1212000000e-03  1.0769000000e-03  9.5594000000e-03  5.6073000000e-03 -9.9960000000e-04  2.1046000000e-03 -1.2991000000e-03  5.2883000000e-03 -2.2273000000e-03 -3.3522000000e-03 -4.7350000000e-04  3.1908000000e-03
-
-JOB 252
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2501900000e-01 -2.4387500000e-01  3.3106000000e-02  2.3725800000e-01  1.6587400000e-01  9.1237400000e-01 -2.7377720000e+00 -2.1370700000e-01  2.6464000000e-01 -2.9726670000e+00 -8.0144900000e-01  9.8270300000e-01 -3.3011180000e+00 -4.8374800000e-01 -4.6058500000e-01
-ENERGY -1.526598112342e+02
-FORCES -1.4026200000e-02  4.8360000000e-04  3.3288000000e-03  9.9253000000e-03 -1.6049000000e-03 -5.0080000000e-04 -1.1678000000e-03 -1.1063000000e-03 -2.1472000000e-03 -1.6790000000e-04 -1.4899000000e-03 -1.0103000000e-03  2.4685000000e-03  2.9804000000e-03 -4.1261000000e-03  2.9682000000e-03  7.3700000000e-04  4.4556000000e-03
-
-JOB 253
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5375600000e-01  9.3960700000e-01  9.8635000000e-02 -7.1926100000e-01 -1.9001100000e-01  6.0232200000e-01  1.7259200000e-01 -1.3900690000e+00 -2.2834310000e+00  1.3217600000e-01 -2.1399200000e+00 -1.6898630000e+00  2.7532000000e-02 -6.2994200000e-01 -1.7200510000e+00
-ENERGY -1.526577612973e+02
-FORCES -1.5697000000e-03 -2.4038000000e-03 -2.7156000000e-03 -1.7090000000e-03 -5.2421000000e-03 -1.5379000000e-03  4.2290000000e-03  1.0845000000e-03 -2.8549000000e-03 -4.0910000000e-04  6.3493000000e-03  1.6921500000e-02 -6.8500000000e-04  1.7650000000e-04 -2.3325000000e-03  1.4380000000e-04  3.5600000000e-05 -7.4806000000e-03
-
-JOB 254
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3632600000e-01  7.5528000000e-01  3.9421300000e-01 -5.6983800000e-01 -2.5453800000e-01 -7.2575900000e-01 -1.9605050000e+00  8.5980000000e-02 -2.1509910000e+00 -2.0101130000e+00 -5.5397200000e-01 -2.8610850000e+00 -1.8443570000e+00  9.2682600000e-01 -2.5933940000e+00
-ENERGY -1.526606579852e+02
-FORCES -9.5783000000e-03  1.8169000000e-03 -6.3759000000e-03  2.1366000000e-03 -1.4129000000e-03 -8.0350000000e-04  6.9300000000e-03 -1.6575000000e-03  5.8562000000e-03  5.6050000000e-04  2.1446000000e-03 -4.2219000000e-03  9.5730000000e-04  3.4076000000e-03  3.5436000000e-03 -1.0062000000e-03 -4.2986000000e-03  2.0014000000e-03
-
-JOB 255
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3389100000e-01 -7.8632600000e-01  5.2914700000e-01 -7.0971600000e-01 -1.9044000000e-02 -6.4200600000e-01 -4.0274000000e-02 -1.9107150000e+00  2.2502190000e+00 -8.7293800000e-01 -1.6849630000e+00  2.6648730000e+00  6.1499500000e-01 -1.4169970000e+00  2.7432680000e+00
-ENERGY -1.526612569685e+02
-FORCES -1.6392000000e-03 -7.2845000000e-03  3.7201000000e-03 -8.5850000000e-04  8.1168000000e-03 -7.3191000000e-03  1.7559000000e-03 -6.7190000000e-04  3.1116000000e-03  6.6640000000e-04  3.1132000000e-03  6.2193000000e-03  3.9525000000e-03 -6.3940000000e-04 -3.2381000000e-03 -3.8772000000e-03 -2.6340000000e-03 -2.4938000000e-03
-
-JOB 256
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5393600000e-01  4.5210200000e-01 -3.7870400000e-01  4.6400000000e-02  3.2303200000e-01  8.9985000000e-01  1.0494000000e-01  1.5092780000e+00  2.4220310000e+00  9.1902100000e-01  1.7055850000e+00  2.8856770000e+00 -1.2580600000e-01  2.3288730000e+00  1.9847080000e+00
-ENERGY -1.526602693955e+02
-FORCES -1.8032000000e-03  5.6306000000e-03  9.8994000000e-03  2.5846000000e-03 -2.3240000000e-04  1.4446000000e-03 -8.2830000000e-04 -3.9946000000e-03 -9.3162000000e-03  3.3803000000e-03  3.7176000000e-03 -9.9520000000e-04 -4.2618000000e-03 -1.2210000000e-04 -2.3881000000e-03  9.2840000000e-04 -4.9991000000e-03  1.3556000000e-03
-
-JOB 257
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7962200000e-01 -7.4454900000e-01 -5.7412100000e-01  6.5842400000e-01 -6.5945000000e-02  6.9163600000e-01 -1.2963030000e+00 -3.1983160000e+00 -8.6963000000e-01 -2.0774350000e+00 -3.0580670000e+00 -3.3447100000e-01 -1.2494050000e+00 -2.4257970000e+00 -1.4328770000e+00
-ENERGY -1.526551168407e+02
-FORCES  4.5146000000e-03 -4.4971000000e-03  1.8250000000e-03 -2.4108000000e-03  3.8772000000e-03  8.8000000000e-05 -2.6400000000e-03  9.2550000000e-04 -2.7544000000e-03 -5.3485000000e-03  3.6900000000e-03  6.1550000000e-04  3.1770000000e-03 -1.5428000000e-03 -2.5910000000e-03  2.7078000000e-03 -2.4528000000e-03  2.8169000000e-03
-
-JOB 258
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1101000000e-02 -3.0573400000e-01  9.0612900000e-01  6.6802000000e-02  9.5223700000e-01  7.0808000000e-02  9.1488200000e-01  7.7872600000e-01 -2.7533220000e+00 -4.1518000000e-02  7.9392700000e-01 -2.7172620000e+00  1.1914490000e+00  9.1967600000e-01 -1.8478520000e+00
-ENERGY -1.526542416153e+02
-FORCES -5.7680000000e-04  1.0946000000e-03  5.0958000000e-03  1.0340000000e-04  1.6227000000e-03 -4.3755000000e-03  1.7308000000e-03 -4.6303000000e-03 -3.6875000000e-03 -4.0899000000e-03 -4.3174000000e-03  6.9178000000e-03  3.4794000000e-03  2.0286000000e-03 -1.3492000000e-03 -6.4700000000e-04  4.2019000000e-03 -2.6015000000e-03
-
-JOB 259
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4932600000e-01 -2.7785600000e-01 -3.4303400000e-01 -1.3664000000e-02  9.5456100000e-01 -6.9701000000e-02  3.9554200000e-01  2.8005880000e+00 -1.7056400000e-01 -3.8000800000e-01  3.1949140000e+00 -5.6963900000e-01  3.5705200000e-01  3.0708350000e+00  7.4688700000e-01
-ENERGY -1.526600099882e+02
-FORCES  6.1380000000e-04  1.1109900000e-02 -2.4281000000e-03  2.4344000000e-03  2.6079000000e-03  8.4460000000e-04 -4.4456000000e-03 -1.0622100000e-02  2.2115000000e-03 -1.0054000000e-03  3.6165000000e-03  2.0525000000e-03  3.3059000000e-03 -4.1905000000e-03  2.7392000000e-03 -9.0320000000e-04 -2.5216000000e-03 -5.4197000000e-03
-
-JOB 260
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9990000000e-01 -1.5860100000e-01  5.0123700000e-01  1.9088600000e-01  9.2749600000e-01  1.3980500000e-01 -1.2044990000e+00  1.3681960000e+00 -2.8953050000e+00 -2.4930700000e-01  1.4301620000e+00 -2.8960640000e+00 -1.5031370000e+00  2.2662620000e+00 -2.7520390000e+00
-ENERGY -1.526531344119e+02
-FORCES -4.8692000000e-03  3.1461000000e-03  1.1962000000e-03  3.7157000000e-03  5.4570000000e-04 -9.5530000000e-04  1.7500000000e-04 -3.2901000000e-03 -8.0920000000e-04  3.7019000000e-03  2.0586000000e-03  8.5700000000e-04 -3.9975000000e-03  1.3192000000e-03 -6.1680000000e-04  1.2741000000e-03 -3.7795000000e-03  3.2820000000e-04
-
-JOB 261
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5301900000e-01 -8.7988000000e-02 -1.5615000000e-02 -2.4537300000e-01  1.1596700000e-01 -9.1791900000e-01 -1.3642780000e+00  4.9361800000e-01 -2.1176990000e+00 -2.1074610000e+00  1.7354900000e-01 -1.6063610000e+00 -1.2236740000e+00 -1.7928000000e-01 -2.7837860000e+00
-ENERGY -1.526570033292e+02
-FORCES -8.8632000000e-03  5.8456000000e-03 -1.7131000000e-02 -3.4594000000e-03  4.5780000000e-04 -3.5249000000e-03  3.9601000000e-03 -6.2204000000e-03  7.9929000000e-03  6.3140000000e-04 -3.8501000000e-03  9.7999000000e-03  6.0519000000e-03  8.8480000000e-04 -3.2599000000e-03  1.6791000000e-03  2.8822000000e-03  6.1229000000e-03
-
-JOB 262
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0906400000e-01  7.3828800000e-01  1.4245000000e-02  1.0892900000e-01 -4.1749600000e-01  8.5443700000e-01 -1.1214160000e+00  1.6567290000e+00 -2.8356720000e+00 -1.1357560000e+00  2.0677370000e+00 -1.9713230000e+00 -3.5631400000e-01  2.0352740000e+00 -3.2687480000e+00
-ENERGY -1.526529615607e+02
-FORCES  3.5143000000e-03  8.2500000000e-05  3.5620000000e-03 -3.3576000000e-03 -2.0686000000e-03 -2.9860000000e-04 -5.2620000000e-04  1.7806000000e-03 -3.9374000000e-03  2.4838000000e-03  1.6311000000e-03  2.8289000000e-03  7.1520000000e-04  4.6200000000e-05 -4.2518000000e-03 -2.8295000000e-03 -1.4718000000e-03  2.0968000000e-03
-
-JOB 263
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6620500000e-01 -1.0208500000e-01  6.7969200000e-01  8.1273000000e-02 -8.7076600000e-01 -3.8909300000e-01  3.1670910000e+00  1.1712290000e+00 -7.2259800000e-01  3.2846390000e+00  1.8797620000e+00 -1.3553670000e+00  2.4177530000e+00  1.4441180000e+00 -1.9320600000e-01
-ENERGY -1.526574102048e+02
-FORCES -2.4640000000e-03 -5.5651000000e-03  3.5820000000e-04  2.9369000000e-03  5.1710000000e-04 -2.8517000000e-03 -1.5772000000e-03  3.5039000000e-03  2.0614000000e-03 -4.6824000000e-03  3.2305000000e-03  2.2350000000e-04 -3.4440000000e-04 -2.6519000000e-03  2.3022000000e-03  6.1312000000e-03  9.6550000000e-04 -2.0936000000e-03
-
-JOB 264
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9124100000e-01  4.0814300000e-01 -7.1297500000e-01  2.9686000000e-02 -9.3692700000e-01 -1.9369800000e-01  2.9014900000e+00 -1.4186030000e+00 -1.0907730000e+00  3.7052600000e+00 -1.4543670000e+00 -1.6093360000e+00  2.9276870000e+00 -5.6105500000e-01 -6.6632400000e-01
-ENERGY -1.526566912906e+02
-FORCES  1.4651000000e-03 -4.0844000000e-03 -4.9336000000e-03 -6.4990000000e-04 -2.5740000000e-04  3.9612000000e-03 -1.5343000000e-03  4.6186000000e-03  1.7844000000e-03  5.0341000000e-03  2.4748000000e-03  4.7320000000e-04 -3.4920000000e-03  5.6040000000e-04  2.3518000000e-03 -8.2300000000e-04 -3.3120000000e-03 -3.6369000000e-03
-
-JOB 265
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8496000000e-02  9.0062400000e-01 -3.1455800000e-01 -2.2592000000e-02 -5.3430700000e-01 -7.9387500000e-01  9.4808000000e-02  1.4968220000e+00 -2.6920720000e+00  9.5934300000e-01  1.1697750000e+00 -2.9407720000e+00  2.2723400000e-01  2.4322410000e+00 -2.5381680000e+00
-ENERGY -1.526575818215e+02
-FORCES -1.8545000000e-03  3.6324000000e-03 -9.7718000000e-03  1.0084000000e-03 -1.2187000000e-03  5.6581000000e-03  1.4145000000e-03 -1.0019000000e-03  3.7223000000e-03  4.5695000000e-03  2.5608000000e-03 -2.2236000000e-03 -4.4796000000e-03  9.4670000000e-04  1.7041000000e-03 -6.5830000000e-04 -4.9193000000e-03  9.1080000000e-04
-
-JOB 266
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3312000000e-02 -5.8223100000e-01  7.5903100000e-01  1.2285200000e-01  8.7314100000e-01  3.7251000000e-01  1.2110500000e-01  2.5853170000e+00 -1.3254200000e-01  9.3994800000e-01  3.0015340000e+00 -4.0178300000e-01 -7.9550000000e-03  2.8721220000e+00  7.7151500000e-01
-ENERGY -1.526536984501e+02
-FORCES  9.9210000000e-04  1.5099200000e-02 -2.0874000000e-03  2.7020000000e-04  5.6919000000e-03 -1.3854000000e-03 -9.0640000000e-04 -6.7987000000e-03  7.0689000000e-03  2.4635000000e-03 -4.6392000000e-03 -1.5401000000e-03 -4.6552000000e-03 -1.8641000000e-03  2.1982000000e-03  1.8358000000e-03 -7.4891000000e-03 -4.2542000000e-03
-
-JOB 267
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8755600000e-01  7.9947600000e-01  4.4088800000e-01  1.1427500000e-01 -6.3577500000e-01  7.0637300000e-01 -3.1541250000e+00  1.2820630000e+00  5.5161100000e-01 -2.3735510000e+00  1.6211220000e+00  1.1346100000e-01 -3.0503230000e+00  3.3088600000e-01  5.2476200000e-01
-ENERGY -1.526546871373e+02
-FORCES  1.4409000000e-03  1.7540000000e-04  6.0065000000e-03 -1.3209000000e-03 -2.7151000000e-03 -3.9420000000e-03 -9.4090000000e-04  2.5921000000e-03 -3.4915000000e-03  2.9060000000e-03 -3.9770000000e-03 -4.4384000000e-03 -8.9570000000e-04 -3.3720000000e-04  4.1231000000e-03 -1.1893000000e-03  4.2617000000e-03  1.7423000000e-03
-
-JOB 268
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3585000000e-02  9.5689700000e-01 -1.9892000000e-02 -2.1358700000e-01 -2.6171300000e-01 -8.9561100000e-01 -1.7666340000e+00 -2.1592220000e+00  1.3444730000e+00 -1.6899900000e+00 -1.3341640000e+00  8.6526900000e-01 -1.3746700000e+00 -1.9779050000e+00  2.1987100000e+00
-ENERGY -1.526584448409e+02
-FORCES  2.3232000000e-03  2.8540000000e-03 -4.9629000000e-03 -3.6070000000e-04 -4.8177000000e-03  3.2130000000e-04 -5.7810000000e-04  1.6045000000e-03  5.1914000000e-03  6.0976000000e-03  7.2185000000e-03  4.9880000000e-04 -5.1884000000e-03 -5.3900000000e-03  8.1430000000e-04 -2.2935000000e-03 -1.4693000000e-03 -1.8630000000e-03
-
-JOB 269
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2203500000e-01 -1.4087000000e-01 -4.6973000000e-01  2.3090700000e-01  5.9250400000e-01  7.1543900000e-01  1.3452600000e-01  1.8635860000e+00  2.2453200000e+00  7.7763300000e-01  1.3642390000e+00  2.7486060000e+00  3.1076000000e-01  2.7771700000e+00  2.4701270000e+00
-ENERGY -1.526591810333e+02
-FORCES  1.8338000000e-03  6.6796000000e-03  4.2743000000e-03 -2.3546000000e-03  9.7420000000e-04  2.4947000000e-03  2.3953000000e-03 -8.8828000000e-03 -4.4776000000e-03  1.1500000000e-03  4.0399000000e-03  2.9334000000e-03 -2.6871000000e-03  1.8652000000e-03 -5.5798000000e-03 -3.3750000000e-04 -4.6760000000e-03  3.5510000000e-04
-
-JOB 270
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5581000000e-02 -4.6681300000e-01 -8.3222900000e-01 -7.7027000000e-02  9.2136000000e-01 -2.4777900000e-01  3.0292760000e+00 -3.4136500000e-01 -1.2005480000e+00  2.1294860000e+00 -1.8436600000e-01 -1.4868340000e+00  3.0759210000e+00  5.1872000000e-02 -3.2910000000e-01
-ENERGY -1.526535578786e+02
-FORCES -2.7550000000e-03  9.1360000000e-04 -3.5091000000e-03  3.0164000000e-03  3.7271000000e-03  2.8042000000e-03  2.0371000000e-03 -4.7515000000e-03  8.0430000000e-04 -5.1315000000e-03  2.3778000000e-03  5.8462000000e-03  8.4740000000e-04 -1.3615000000e-03 -1.7561000000e-03  1.9855000000e-03 -9.0540000000e-04 -4.1895000000e-03
-
-JOB 271
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3367000000e-02  4.7660000000e-03 -9.5569900000e-01 -5.2321300000e-01 -7.7428200000e-01  2.0728700000e-01  1.1657640000e+00  1.0585640000e+00 -2.3837980000e+00  2.4294600000e-01  1.1967300000e+00 -2.1703750000e+00  1.6416730000e+00  1.5942690000e+00 -1.7491630000e+00
-ENERGY -1.526533979151e+02
-FORCES  2.8349000000e-03 -3.1018000000e-03 -5.3312000000e-03 -6.5701000000e-03  6.5593000000e-03  1.3426000000e-03  2.3890000000e-03  3.0982000000e-03 -2.2765000000e-03  2.1850000000e-04  5.3385000000e-03  6.9984000000e-03  3.0511000000e-03 -9.6590000000e-03  3.7368000000e-03 -1.9234000000e-03 -2.2352000000e-03 -4.4701000000e-03
-
-JOB 272
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9953600000e-01 -3.8703000000e-01 -3.5662600000e-01  7.0963700000e-01 -4.9322000000e-01 -4.1156000000e-01 -2.6235950000e+00 -1.6486900000e-01  1.4175280000e+00 -3.4352060000e+00  2.4380400000e-01  1.7183700000e+00 -1.9291250000e+00  3.4681600000e-01  1.8324050000e+00
-ENERGY -1.526597171409e+02
-FORCES -2.3409000000e-03 -3.9808000000e-03 -2.9296000000e-03  6.6187000000e-03  1.7915000000e-03 -2.8270000000e-04 -3.2379000000e-03  1.5648000000e-03  1.2627000000e-03  1.1681000000e-03  3.9877000000e-03  3.7101000000e-03  3.6459000000e-03 -1.3263000000e-03 -9.1780000000e-04 -5.8539000000e-03 -2.0369000000e-03 -8.4280000000e-04
-
-JOB 273
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1041500000e-01 -8.6706300000e-01 -3.4664100000e-01  9.1666800000e-01 -6.4624000000e-02  2.6791000000e-01 -1.7723860000e+00 -1.9856250000e+00 -8.6675600000e-01 -2.5744360000e+00 -1.6979390000e+00 -4.3065300000e-01 -1.8205940000e+00 -2.9414900000e+00 -8.5160400000e-01
-ENERGY -1.526604850771e+02
-FORCES -3.3057000000e-03 -7.4329000000e-03 -3.1069000000e-03  7.1791000000e-03  6.5534000000e-03  3.3926000000e-03 -3.4168000000e-03 -1.5170000000e-03 -1.3015000000e-03 -3.9643000000e-03  1.0769000000e-03  3.0885000000e-03  3.0737000000e-03 -3.2541000000e-03 -2.5819000000e-03  4.3390000000e-04  4.5736000000e-03  5.0910000000e-04
-
-JOB 274
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6735000000e-02  5.2755000000e-01  7.9397700000e-01  5.2839000000e-01  5.3831700000e-01 -5.8928000000e-01  1.4891830000e+00  1.7086140000e+00 -1.5208020000e+00  2.4298470000e+00  1.5851150000e+00 -1.3937920000e+00  1.2825510000e+00  2.5023370000e+00 -1.0273040000e+00
-ENERGY -1.526588870492e+02
-FORCES  8.6913000000e-03  1.0395800000e-02 -8.1290000000e-03  9.7020000000e-04 -1.8770000000e-04 -2.9304000000e-03 -5.6632000000e-03 -4.9391000000e-03  7.6237000000e-03  9.2620000000e-04 -1.0070000000e-04  3.8647000000e-03 -5.6177000000e-03  1.0885000000e-03  2.8690000000e-04  6.9310000000e-04 -6.2568000000e-03 -7.1580000000e-04
-
-JOB 275
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5380900000e-01 -3.8573700000e-01 -5.8307200000e-01  1.9293100000e-01 -3.7581500000e-01  8.5893700000e-01  3.3112000000e-01 -1.6890750000e+00  2.1961890000e+00  1.0409100000e-01 -2.4184770000e+00  1.6194200000e+00  1.6548200000e-01 -2.0204840000e+00  3.0787790000e+00
-ENERGY -1.526598727274e+02
-FORCES  3.9457000000e-03 -4.6134000000e-03  8.5349000000e-03 -2.6118000000e-03 -2.0260000000e-04  2.1547000000e-03 -1.0118000000e-03  1.8426000000e-03 -8.6612000000e-03 -2.8354000000e-03 -9.2890000000e-04 -7.8200000000e-05  2.0175000000e-03  4.3052000000e-03  2.7763000000e-03  4.9570000000e-04 -4.0290000000e-04 -4.7265000000e-03
-
-JOB 276
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8508400000e-01 -4.3329700000e-01  5.0906400000e-01 -4.4748700000e-01  3.1502000000e-01 -7.8533400000e-01 -1.7445490000e+00  2.2336520000e+00  1.2128250000e+00 -1.5657880000e+00  1.7845220000e+00  2.0389950000e+00 -9.0005000000e-01  2.2531170000e+00  7.6263100000e-01
-ENERGY -1.526570877676e+02
-FORCES -7.7046000000e-03 -1.1687000000e-03 -1.2693000000e-03  3.9120000000e-03  1.3632000000e-03 -1.0440000000e-03  3.1331000000e-03 -1.5100000000e-05  3.5062000000e-03  7.8736000000e-03 -3.4928000000e-03  1.3036000000e-03 -2.0041000000e-03  9.2820000000e-04 -2.8581000000e-03 -5.2101000000e-03  2.3852000000e-03  3.6150000000e-04
-
-JOB 277
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9996000000e-02 -3.9292300000e-01  8.7191900000e-01 -6.8247300000e-01 -4.5029800000e-01 -4.9768900000e-01 -2.9574060000e+00  1.1424910000e+00 -5.8359500000e-01 -2.1991730000e+00  1.1042190000e+00 -1.1665620000e+00 -2.7729460000e+00  1.8767210000e+00  2.1640000000e-03
-ENERGY -1.526558736644e+02
-FORCES -4.9016000000e-03 -4.4517000000e-03  3.3968000000e-03  1.0136000000e-03  1.5943000000e-03 -3.4212000000e-03  3.3359000000e-03  3.7133000000e-03 -4.3790000000e-04  6.3848000000e-03  4.7105000000e-03  1.5166000000e-03 -3.4923000000e-03 -3.0655000000e-03  1.2071000000e-03 -2.3405000000e-03 -2.5008000000e-03 -2.2614000000e-03
-
-JOB 278
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2515200000e-01 -5.4927000000e-02  2.3939200000e-01  1.4140700000e-01  9.2515000000e-01 -2.0083200000e-01  4.2611600000e-01 -1.8556910000e+00 -2.0905970000e+00  4.5022500000e-01 -2.7570750000e+00 -1.7694170000e+00  2.5237200000e-01 -1.3277970000e+00 -1.3112550000e+00
-ENERGY -1.526613954787e+02
-FORCES -1.3781000000e-03  3.9679000000e-03 -2.0842000000e-03  4.9942000000e-03 -4.3160000000e-04 -2.1109000000e-03 -1.8499000000e-03 -4.2166000000e-03  1.9892000000e-03 -2.8790000000e-04  5.7783000000e-03  9.5096000000e-03 -7.8770000000e-04  3.3272000000e-03  1.2770000000e-04 -6.9050000000e-04 -8.4252000000e-03 -7.4314000000e-03
-
-JOB 279
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5505900000e-01  4.0313100000e-01  7.9224400000e-01 -7.4612700000e-01  5.5119200000e-01 -2.3603800000e-01  4.4348000000e-02  2.1687800000e+00  1.8964370000e+00  1.3866300000e-01  2.6726680000e+00  1.0880840000e+00 -5.5194900000e-01  2.6887890000e+00  2.4351880000e+00
-ENERGY -1.526579792013e+02
-FORCES -3.1593000000e-03  6.7428000000e-03  8.4633000000e-03  2.0023000000e-03 -2.8845000000e-03 -6.2309000000e-03  2.3539000000e-03 -8.8710000000e-04 -1.4542000000e-03 -2.1384000000e-03  2.7376000000e-03 -5.8740000000e-04 -1.5263000000e-03 -4.1809000000e-03  3.4361000000e-03  2.4678000000e-03 -1.5278000000e-03 -3.6269000000e-03
-
-JOB 280
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7797100000e-01  5.4120200000e-01  1.3451000000e-01 -3.5160400000e-01  2.9016100000e-01 -8.4167300000e-01  1.6830390000e+00  1.9072210000e+00  1.1645480000e+00  2.5869920000e+00  1.7479150000e+00  1.4360660000e+00  1.1817390000e+00  1.8943020000e+00  1.9798780000e+00
-ENERGY -1.526613527379e+02
-FORCES  6.9727000000e-03  8.6621000000e-03  1.2584000000e-03 -5.7828000000e-03 -7.6556000000e-03 -3.7744000000e-03  1.6495000000e-03 -2.5680000000e-04  2.7569000000e-03 -1.9064000000e-03 -1.0103000000e-03  4.9009000000e-03 -4.9166000000e-03 -5.5200000000e-05 -1.3000000000e-03  3.9836000000e-03  3.1570000000e-04 -3.8418000000e-03
-
-JOB 281
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9514000000e-02 -9.5024600000e-01 -1.1132600000e-01  2.8799200000e-01  1.2689200000e-01  9.0398600000e-01  1.2770650000e+00  1.8905300000e-01  2.9169930000e+00  5.4347700000e-01 -4.2575300000e-01  2.9072770000e+00  8.6578400000e-01  1.0533850000e+00  2.9200260000e+00
-ENERGY -1.526554710075e+02
-FORCES  5.0385000000e-03 -3.1560000000e-03  4.2809000000e-03 -5.0190000000e-04  3.5987000000e-03  1.0842000000e-03 -6.8849000000e-03 -3.1780000000e-04 -3.0649000000e-03 -3.1246000000e-03  1.7372000000e-03  4.9438000000e-03  3.7797000000e-03  3.7954000000e-03 -4.7382000000e-03  1.6932000000e-03 -5.6575000000e-03 -2.5057000000e-03
-
-JOB 282
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5546500000e-01  5.3834000000e-02  2.0486000000e-02 -2.9305300000e-01  7.2309300000e-01  5.5451500000e-01 -1.8943120000e+00  1.4339950000e+00  1.5674320000e+00 -2.1052490000e+00  2.3567380000e+00  1.7098480000e+00 -2.0048490000e+00  1.0271450000e+00  2.4267840000e+00
-ENERGY -1.526599370619e+02
-FORCES -3.6320000000e-03  5.5635000000e-03  4.4473000000e-03 -3.7903000000e-03  7.9390000000e-04  9.8330000000e-04  8.0385000000e-03 -4.7717000000e-03 -4.6325000000e-03 -2.9085000000e-03 -2.3100000000e-05  3.3910000000e-03  1.5090000000e-03 -4.6356000000e-03 -2.9930000000e-04  7.8340000000e-04  3.0730000000e-03 -3.8898000000e-03
-
-JOB 283
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5145200000e-01 -7.5278700000e-01  2.1317800000e-01 -2.5755700000e-01  6.7242200000e-01  6.3067000000e-01 -1.4177570000e+00  8.3366200000e-01 -2.1473230000e+00 -1.9028140000e+00  1.5937420000e+00 -1.8260280000e+00 -1.0091250000e+00  4.6180000000e-01 -1.3656770000e+00
-ENERGY -1.526567721046e+02
-FORCES -2.6543000000e-03  1.6850000000e-03  5.9130000000e-04  1.1136000000e-03  6.7149000000e-03 -4.2369000000e-03 -6.7460000000e-04 -3.4472000000e-03 -5.5487000000e-03  9.6662000000e-03 -3.1202000000e-03  1.3496400000e-02  2.2003000000e-03 -2.6381000000e-03  8.4180000000e-04 -9.6512000000e-03  8.0560000000e-04 -5.1439000000e-03
-
-JOB 284
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2361600000e-01  2.3289500000e-01 -8.2616100000e-01 -4.4429100000e-01 -8.2783000000e-01 -1.8312500000e-01  1.3086540000e+00  1.3243820000e+00 -1.9402780000e+00  2.2553340000e+00  1.4658500000e+00 -1.9362750000e+00  1.0899470000e+00  1.1902280000e+00 -2.8624500000e+00
-ENERGY -1.526592108179e+02
-FORCES  6.4841000000e-03  5.8379000000e-03 -9.7930000000e-03 -6.0602000000e-03 -6.8522000000e-03  5.2417000000e-03  2.1527000000e-03  3.2279000000e-03 -1.7380000000e-03  1.1781000000e-03 -1.0761000000e-03  2.5069000000e-03 -4.9546000000e-03 -4.1460000000e-04 -1.6402000000e-03  1.2000000000e-03 -7.2300000000e-04  5.4226000000e-03
-
-JOB 285
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0165100000e-01 -1.5374100000e-01 -9.3928800000e-01 -2.7401600000e-01  9.1482200000e-01  6.5172000000e-02  1.0816490000e+00  2.0959090000e+00  2.8309920000e+00  1.6131000000e+00  2.5946410000e+00  3.4515220000e+00  1.6341060000e+00  2.0138080000e+00  2.0536350000e+00
-ENERGY -1.526548509064e+02
-FORCES -2.3806000000e-03  2.7293000000e-03 -3.1931000000e-03 -1.5890000000e-04  7.3640000000e-04  4.0763000000e-03  2.4359000000e-03 -3.9381000000e-03 -1.2998000000e-03  5.0958000000e-03  5.7060000000e-04 -5.0700000000e-05 -2.1092000000e-03 -2.1119000000e-03 -2.5922000000e-03 -2.8830000000e-03  2.0136000000e-03  3.0594000000e-03
-
-JOB 286
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2931700000e-01 -4.6589900000e-01 -6.4729700000e-01  1.9825000000e-02  9.1320000000e-01 -2.8619000000e-01  1.3092780000e+00 -1.8019180000e+00 -1.4591930000e+00  1.4063730000e+00 -1.3805210000e+00 -2.3131420000e+00  1.6608480000e+00 -2.6832640000e+00 -1.5851320000e+00
-ENERGY -1.526558236332e+02
-FORCES  6.5813000000e-03 -8.9005000000e-03 -5.4010000000e-03 -2.5045000000e-03  8.2322000000e-03 -2.2499000000e-03  1.2593000000e-03 -4.2492000000e-03 -1.3088000000e-03 -2.6724000000e-03  4.1400000000e-04  4.2473000000e-03 -1.5443000000e-03  9.8500000000e-05  6.5401000000e-03 -1.1195000000e-03  4.4051000000e-03 -1.8278000000e-03
-
-JOB 287
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7266300000e-01  6.5713000000e-02  9.3920200000e-01 -2.6014000000e-02 -9.4089800000e-01 -1.7397200000e-01 -3.1737750000e+00 -9.8359800000e-01 -7.7682400000e-01 -3.3078470000e+00 -1.4841250000e+00  2.7993000000e-02 -3.1446560000e+00 -7.0913000000e-02 -4.8978600000e-01
-ENERGY -1.526552777641e+02
-FORCES  5.7020000000e-04 -4.8564000000e-03  1.4530000000e-03 -1.6555000000e-03 -2.2590000000e-04 -3.7399000000e-03  1.6451000000e-03  3.9982000000e-03  2.0073000000e-03  7.4890000000e-04  3.7949000000e-03  4.4505000000e-03  1.1326000000e-03  1.4480000000e-03 -3.1402000000e-03 -2.4414000000e-03 -4.1588000000e-03 -1.0307000000e-03
-
-JOB 288
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3886900000e-01 -3.5965600000e-01  6.1540700000e-01 -8.5941000000e-02  9.4888000000e-01  9.2052000000e-02 -1.6728100000e-01 -1.6798040000e+00 -2.4272700000e+00 -9.9774000000e-01 -1.6126230000e+00 -2.8984990000e+00 -1.6017600000e-01 -9.2079500000e-01 -1.8441010000e+00
-ENERGY -1.526605741217e+02
-FORCES -2.0960000000e-03  1.0483000000e-03  5.1506000000e-03  2.7001000000e-03  2.8924000000e-03 -3.0840000000e-03 -3.0940000000e-04 -4.8840000000e-03 -8.2160000000e-04 -1.1554000000e-03  6.0567000000e-03  5.3456000000e-03  2.4671000000e-03  2.4030000000e-04  2.3321000000e-03 -1.6065000000e-03 -5.3538000000e-03 -8.9226000000e-03
-
-JOB 289
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0518900000e-01 -2.1549700000e-01 -6.1032900000e-01  8.0993000000e-02  9.4392300000e-01  1.3667800000e-01 -2.9167260000e+00  1.1988290000e+00 -2.7168600000e-01 -2.0322650000e+00  1.1971310000e+00 -6.3768800000e-01 -2.8704160000e+00  5.9631900000e-01  4.7065400000e-01
-ENERGY -1.526567699353e+02
-FORCES  5.6885000000e-03  1.1864000000e-03 -9.1690000000e-04 -3.3868000000e-03  1.5406000000e-03  2.8045000000e-03 -3.4164000000e-03 -4.4993000000e-03 -2.5279000000e-03  5.7189000000e-03 -6.6501000000e-03  1.2425000000e-03 -2.6885000000e-03  4.8438000000e-03  1.1730000000e-03 -1.9156000000e-03  3.5787000000e-03 -1.7752000000e-03
-
-JOB 290
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8640100000e-01  3.8248500000e-01  5.4661800000e-01 -6.3425000000e-02  4.7211800000e-01 -8.3024900000e-01 -1.8717300000e-01  1.8769370000e+00 -2.4387610000e+00 -9.9622600000e-01  1.9180660000e+00 -2.9486360000e+00  5.1085500000e-01  1.9239020000e+00 -3.0920470000e+00
-ENERGY -1.526612366944e+02
-FORCES -2.4146000000e-03  6.7448000000e-03 -4.7637000000e-03  1.7963000000e-03 -1.5697000000e-03 -1.5903000000e-03  3.9790000000e-04 -6.6380000000e-03  7.3227000000e-03  1.8040000000e-04  1.7458000000e-03 -5.8913000000e-03  3.9995000000e-03 -1.5950000000e-04  2.3776000000e-03 -3.9595000000e-03 -1.2340000000e-04  2.5451000000e-03
-
-JOB 291
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9365100000e-01  3.6082000000e-02 -9.1032900000e-01  4.6378300000e-01 -7.5006000000e-01  3.7222000000e-01  1.4062620000e+00 -2.1821290000e+00  1.4165930000e+00  1.5668070000e+00 -3.0709420000e+00  1.0996250000e+00  2.2269210000e+00 -1.9254110000e+00  1.8371250000e+00
-ENERGY -1.526615047168e+02
-FORCES  4.9211000000e-03 -7.1509000000e-03  1.8257000000e-03 -5.7450000000e-04 -5.9060000000e-04  2.9217000000e-03 -4.4368000000e-03  8.1212000000e-03 -5.3524000000e-03  3.6621000000e-03 -2.7229000000e-03  1.5415000000e-03  1.2290000000e-04  4.4380000000e-03  1.5927000000e-03 -3.6948000000e-03 -2.0948000000e-03 -2.5292000000e-03
-
-JOB 292
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7344800000e-01  8.2357100000e-01  3.1384600000e-01 -3.3838500000e-01 -6.6208300000e-01  6.0280400000e-01  1.0634430000e+00 -3.0977290000e+00  1.0367460000e+00  1.2584120000e+00 -3.8737090000e+00  1.5621720000e+00  1.1638440000e+00 -2.3650050000e+00  1.6444200000e+00
-ENERGY -1.526543565804e+02
-FORCES -3.9638000000e-03 -1.7130000000e-04  2.2104000000e-03  1.7954000000e-03 -3.6479000000e-03 -1.1642000000e-03  2.6573000000e-03  4.4922000000e-03 -5.9050000000e-04  3.2385000000e-03 -1.0924000000e-03  4.3481000000e-03 -6.5760000000e-04  3.4564000000e-03 -2.3276000000e-03 -3.0697000000e-03 -3.0369000000e-03 -2.4762000000e-03
-
-JOB 293
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7789800000e-01 -2.7744000000e-02 -5.5708000000e-01  1.9640100000e-01  6.7159300000e-01  6.5316200000e-01 -1.4657860000e+00  2.6857560000e+00 -3.8776000000e-01 -1.9111400000e+00  2.8938510000e+00 -1.2090930000e+00 -1.8890730000e+00  3.2454410000e+00  2.6324900000e-01
-ENERGY -1.526534443357e+02
-FORCES  1.5880000000e-03  7.0476000000e-03 -1.9550000000e-04 -2.9236000000e-03 -2.8110000000e-04  1.7585000000e-03  1.1173000000e-03 -4.6716000000e-03 -3.7350000000e-04 -4.3042000000e-03  1.0587000000e-03 -2.5201000000e-03  1.9162000000e-03 -1.0400000000e-04  3.5032000000e-03  2.6063000000e-03 -3.0496000000e-03 -2.1725000000e-03
-
-JOB 294
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2731500000e-01 -7.0405200000e-01 -1.6437300000e-01  2.7217900000e-01 -1.2837900000e-01  9.0866300000e-01  3.6676100000e-01  2.8491790000e+00 -3.8988900000e-01  3.2158400000e-01  1.8991630000e+00 -2.8191100000e-01  2.7998000000e-01  3.1960280000e+00  4.9802800000e-01
-ENERGY -1.526599052043e+02
-FORCES -3.0095000000e-03 -2.6856000000e-03  5.1310000000e-04  3.5395000000e-03  2.0662000000e-03  2.3187000000e-03 -1.8134000000e-03  2.1786000000e-03 -4.5192000000e-03 -2.4793000000e-03 -8.8560000000e-03  2.4948000000e-03  3.2615000000e-03  9.1933000000e-03  1.4803000000e-03  5.0120000000e-04 -1.8966000000e-03 -2.2877000000e-03
-
-JOB 295
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3594500000e-01  5.7954000000e-01  7.4959000000e-01  6.5319300000e-01  2.7985800000e-01 -6.4128800000e-01 -2.9522550000e+00 -1.8833420000e+00 -7.9337900000e-01 -3.1618760000e+00 -2.3303330000e+00  2.6677000000e-02 -3.7973320000e+00 -1.7722520000e+00 -1.2289650000e+00
-ENERGY -1.526521553002e+02
-FORCES  2.8050000000e-03  3.4312000000e-03 -3.7920000000e-04 -7.8810000000e-04 -2.6542000000e-03 -2.8913000000e-03 -2.5749000000e-03 -1.0648000000e-03  2.7751000000e-03 -3.5338000000e-03 -1.0059000000e-03  2.3513000000e-03  3.9820000000e-04  1.5792000000e-03 -3.4456000000e-03  3.6935000000e-03 -2.8550000000e-04  1.5896000000e-03
-
-JOB 296
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3598600000e-01 -5.2787800000e-01 -5.9185700000e-01 -3.2175700000e-01  8.9379000000e-01 -1.1766200000e-01  1.8002020000e+00  3.3325080000e+00 -9.4825600000e-01  2.6752360000e+00  3.5921610000e+00 -6.5993700000e-01  1.3566930000e+00  3.0530990000e+00 -1.4734200000e-01
-ENERGY -1.526539701126e+02
-FORCES -3.5811000000e-03  1.0210000000e-03 -4.4629000000e-03  2.0275000000e-03  1.9016000000e-03  2.7497000000e-03  1.9208000000e-03 -2.7457000000e-03  1.9908000000e-03  3.2518000000e-03 -6.8890000000e-04  4.7734000000e-03 -3.6271000000e-03 -6.3650000000e-04 -1.3224000000e-03  8.1000000000e-06  1.1486000000e-03 -3.7286000000e-03
-
-JOB 297
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1305200000e-01  1.2636000000e-01 -8.9569100000e-01  5.0578800000e-01 -7.4335700000e-01  3.2837600000e-01 -8.4335800000e-01  1.3876850000e+00  2.9278090000e+00 -9.4499900000e-01  4.5137200000e-01  2.7568770000e+00 -1.1822200000e+00  1.8135610000e+00  2.1403860000e+00
-ENERGY -1.526563418394e+02
-FORCES  4.6328000000e-03 -2.2845000000e-03 -2.7555000000e-03 -1.2419000000e-03 -5.3230000000e-04  3.8390000000e-03 -2.9083000000e-03  2.8240000000e-03 -1.1382000000e-03 -8.8180000000e-04 -2.7799000000e-03 -7.5162000000e-03  4.3680000000e-04  2.4495000000e-03  2.8788000000e-03 -3.7600000000e-05  3.2320000000e-04  4.6921000000e-03
-
-JOB 298
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4258200000e-01  2.0357000000e-02 -1.6539800000e-01 -3.8110900000e-01  5.0054600000e-01 -7.2141700000e-01 -1.6793480000e+00 -1.9005760000e+00 -1.7681220000e+00 -8.0858700000e-01 -1.6977420000e+00 -1.4262670000e+00 -2.2726770000e+00 -1.3536170000e+00 -1.2533110000e+00
-ENERGY -1.526575729017e+02
-FORCES  2.8000000000e-03  4.8285000000e-03 -1.8899000000e-03 -4.9639000000e-03 -1.0951000000e-03 -1.0940000000e-04  1.0360000000e-03 -4.6626000000e-03  3.2834000000e-03  2.8685000000e-03  3.3821000000e-03  8.2954000000e-03 -2.8142000000e-03 -1.6053000000e-03 -6.0212000000e-03  1.0737000000e-03 -8.4770000000e-04 -3.5583000000e-03
-
-JOB 299
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1391500000e-01 -4.1518900000e-01  8.3551800000e-01  4.5680000000e-03  9.3769500000e-01  1.9219500000e-01 -2.1877100000e-01  2.0232890000e+00  2.3093110000e+00 -1.0269300000e+00  1.6516220000e+00  2.6628270000e+00 -3.3562400000e-01  2.9700830000e+00  2.3877820000e+00
-ENERGY -1.526581338011e+02
-FORCES  5.1600000000e-04  5.4718000000e-03  8.1341000000e-03 -7.4440000000e-04 -4.8110000000e-04 -2.9248000000e-03 -5.3530000000e-04 -4.1790000000e-03 -5.6323000000e-03 -3.6629000000e-03  2.8773000000e-03  3.6425000000e-03  4.1425000000e-03  8.8360000000e-04 -2.3765000000e-03  2.8410000000e-04 -4.5727000000e-03 -8.4300000000e-04
-
-JOB 300
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7673200000e-01  9.3932900000e-01  5.1566000000e-02 -1.0038000000e-01 -2.7568500000e-01  9.1112800000e-01 -2.9737000000e-02 -1.7611980000e+00  2.0052070000e+00 -7.9103800000e-01 -1.6691380000e+00  2.5780760000e+00 -2.8301900000e-01 -2.4367820000e+00  1.3761870000e+00
-ENERGY -1.526590391305e+02
-FORCES  1.5212000000e-03 -7.3600000000e-03  1.1141000000e-02 -8.0100000000e-04 -3.7214000000e-03  2.5616000000e-03 -3.0928000000e-03  7.6504000000e-03 -7.0353000000e-03 -1.8252000000e-03 -2.3062000000e-03 -6.5789000000e-03  3.7464000000e-03  2.0804000000e-03 -4.6884000000e-03  4.5130000000e-04  3.6568000000e-03  4.5999000000e-03
-
-JOB 301
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5970000000e-03  1.9218800000e-01  9.3766800000e-01 -2.0279800000e-01 -9.3382600000e-01 -5.5445000000e-02 -2.3832430000e+00 -1.6977220000e+00 -2.1843200000e+00 -1.4473850000e+00 -1.5841700000e+00 -2.3501780000e+00 -2.7788790000e+00 -1.7321340000e+00 -3.0552500000e+00
-ENERGY -1.526546538196e+02
-FORCES -2.3263000000e-03 -2.7604000000e-03  4.7344000000e-03  4.0820000000e-04 -6.6400000000e-04 -3.6898000000e-03  2.1502000000e-03  3.7382000000e-03 -1.3210000000e-03  1.8243000000e-03  1.7274000000e-03 -5.1692000000e-03 -3.5731000000e-03 -2.1002000000e-03  1.9193000000e-03  1.5166000000e-03  5.9000000000e-05  3.5263000000e-03
-
-JOB 302
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6529900000e-01  3.7557300000e-01  1.6258800000e-01 -2.2307800000e-01  2.8582000000e-01 -8.8587500000e-01 -1.2034550000e+00 -1.4880540000e+00 -2.5015490000e+00 -2.0327560000e+00 -1.6452880000e+00 -2.9529570000e+00 -1.0942680000e+00 -5.3737600000e-01 -2.5243950000e+00
-ENERGY -1.526493518842e+02
-FORCES  2.7902000000e-03  8.2680000000e-04 -3.4211000000e-03 -3.9130000000e-03 -1.8720000000e-03 -6.6800000000e-04 -9.2370000000e-04 -9.3200000000e-05  1.2970000000e-04 -4.0239000000e-03  2.5909000000e-03 -1.6408000000e-03  3.9729000000e-03  2.9890000000e-04  2.1493000000e-03  2.0975000000e-03 -1.7515000000e-03  3.4508000000e-03
-
-JOB 303
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5621000000e-02 -6.5494600000e-01 -6.9496200000e-01 -6.2546500000e-01 -3.7183000000e-01  6.2190600000e-01  2.1464400000e-01 -1.6286530000e+00 -2.1103060000e+00  1.0407670000e+00 -1.3075730000e+00 -2.4717760000e+00  2.3668700000e-01 -2.5732600000e+00 -2.2634820000e+00
-ENERGY -1.526595821484e+02
-FORCES -1.6065000000e-03 -1.1619900000e-02 -1.1056700000e-02  2.3764000000e-03  7.3522000000e-03  5.4968000000e-03  1.6522000000e-03 -1.9400000000e-05 -2.1623000000e-03  1.6601000000e-03  1.6964000000e-03  4.6471000000e-03 -4.7588000000e-03 -2.3193000000e-03  3.3144000000e-03  6.7650000000e-04  4.9100000000e-03 -2.3940000000e-04
-
-JOB 304
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0599300000e-01 -2.5903900000e-01 -5.9220200000e-01  7.3596900000e-01 -5.6130600000e-01 -2.4395900000e-01 -4.8227900000e-01 -1.6488490000e+00  2.0259660000e+00  2.6630000000e-02 -1.6774300000e+00  2.8361670000e+00 -1.3892300000e-01 -8.9047500000e-01  1.5535180000e+00
-ENERGY -1.526587226457e+02
-FORCES -4.4320000000e-03 -8.5716000000e-03  4.0310000000e-04  4.5363000000e-03  1.6008000000e-03  1.9394000000e-03 -4.2550000000e-03  2.3210000000e-03  4.6525000000e-03  1.3738000000e-03  1.1047400000e-02 -9.1790000000e-03 -1.6200000000e-05  2.1113000000e-03 -4.5268000000e-03  2.7931000000e-03 -8.5089000000e-03  6.7108000000e-03
-
-JOB 305
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8804800000e-01 -4.3761800000e-01  8.3027700000e-01  9.4358300000e-01 -1.0755000000e-01 -1.1965100000e-01 -1.8018410000e+00 -6.3130100000e-01  1.9842270000e+00 -1.7022480000e+00 -1.4458970000e+00  2.4769220000e+00 -2.5354920000e+00 -7.9708000000e-01  1.3921930000e+00
-ENERGY -1.526588718557e+02
-FORCES -4.4328000000e-03 -1.7731000000e-03  8.1352000000e-03  7.6974000000e-03 -4.0220000000e-04 -6.9201000000e-03 -3.8129000000e-03 -7.1290000000e-04  2.4945000000e-03 -4.4534000000e-03 -8.9540000000e-04 -4.0547000000e-03  1.7250000000e-03  3.9885000000e-03 -3.8895000000e-03  3.2768000000e-03 -2.0500000000e-04  4.2347000000e-03
-
-JOB 306
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6186300000e-01  5.5406900000e-01 -4.1373400000e-01  3.8231200000e-01  5.5168100000e-01  6.8243500000e-01 -4.3181200000e-01 -2.7914900000e+00  4.8110900000e-01 -6.2303200000e-01 -3.2136870000e+00 -3.5639700000e-01 -1.4511100000e-01 -1.9092360000e+00  2.4518000000e-01
-ENERGY -1.526613171827e+02
-FORCES -2.6842000000e-03  2.0190000000e-03  1.9933000000e-03  3.6989000000e-03 -1.4906000000e-03  2.0845000000e-03 -2.3721000000e-03 -1.7967000000e-03 -3.6794000000e-03  1.5431000000e-03  9.3021000000e-03 -4.2109000000e-03  2.1760000000e-04  1.9811000000e-03  2.2212000000e-03 -4.0340000000e-04 -1.0014900000e-02  1.5914000000e-03
-
-JOB 307
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4250000000e-02 -4.7537100000e-01  8.2545200000e-01  4.7755000000e-01  8.1796500000e-01  1.3824200000e-01 -1.2353500000e-01  1.1007330000e+00 -2.9674520000e+00  7.7973100000e-01  1.4152150000e+00 -3.0054490000e+00 -5.6009600000e-01  1.6976130000e+00 -2.3596850000e+00
-ENERGY -1.526517489336e+02
-FORCES  2.7722000000e-03  8.0110000000e-04  3.4495000000e-03 -3.4340000000e-04  1.9160000000e-03 -4.1670000000e-03 -2.5878000000e-03 -2.4451000000e-03 -1.1680000000e-03  1.0758000000e-03  1.4328000000e-03  4.2035000000e-03 -3.5224000000e-03 -8.3650000000e-04  5.7960000000e-04  2.6056000000e-03 -8.6820000000e-04 -2.8975000000e-03
-
-JOB 308
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7975100000e-01  2.2567600000e-01 -3.0222400000e-01 -9.8645000000e-02 -9.2658300000e-01 -2.1896200000e-01 -3.9165700000e-01  6.6870100000e-01  2.4055190000e+00 -1.2423500000e-01  4.0723300000e-01  1.5244110000e+00  4.3094500000e-01  7.9601100000e-01  2.8781180000e+00
-ENERGY -1.526552060311e+02
-FORCES -1.8141000000e-03  1.5027000000e-03  1.4400400000e-02 -4.6955000000e-03 -2.0669000000e-03  4.2590000000e-03  2.0004000000e-03  5.6090000000e-03  8.5150000000e-04  3.6522000000e-03 -6.8232000000e-03 -2.3425100000e-02  1.7538000000e-03  2.7658000000e-03  8.3989000000e-03 -8.9690000000e-04 -9.8730000000e-04 -4.4847000000e-03
-
-JOB 309
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3574000000e-02 -4.3322600000e-01 -8.5288900000e-01  2.0075700000e-01  9.1370100000e-01 -2.0268000000e-01  2.6823160000e+00  1.5304140000e+00  6.5544800000e-01  2.7843590000e+00  2.2564080000e+00  4.0019000000e-02  2.9344730000e+00  7.5436600000e-01  1.5505000000e-01
-ENERGY -1.526544497984e+02
-FORCES  1.4429000000e-03  4.2186000000e-03 -2.0199000000e-03  1.5691000000e-03  1.8931000000e-03  3.5582000000e-03 -2.9493000000e-03 -4.2182000000e-03 -1.8567000000e-03  2.6514000000e-03 -2.8498000000e-03 -2.9889000000e-03 -2.5606000000e-03 -3.6004000000e-03  2.1652000000e-03 -1.5350000000e-04  4.5568000000e-03  1.1421000000e-03
-
-JOB 310
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3059200000e-01  3.3384800000e-01 -5.2058800000e-01 -5.5802000000e-02  4.7907800000e-01  8.2680200000e-01  1.4826050000e+00 -1.2942160000e+00  2.5011460000e+00  1.5613090000e+00 -8.6628800000e-01  3.3537390000e+00  1.9889600000e+00 -2.1016210000e+00  2.5902200000e+00
-ENERGY -1.526535674726e+02
-FORCES -1.9418000000e-03  2.3870000000e-03  3.6226000000e-03  3.1032000000e-03 -1.7884000000e-03  2.2605000000e-03 -1.2448000000e-03  4.1730000000e-04 -4.4982000000e-03  3.2704000000e-03 -3.5622000000e-03  2.5698000000e-03 -1.1823000000e-03 -8.8250000000e-04 -4.2885000000e-03 -2.0047000000e-03  3.4288000000e-03  3.3390000000e-04
-
-JOB 311
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.9661000000e-02 -6.5530600000e-01  6.9056000000e-01  7.7596000000e-01 -1.1047000000e-01 -5.4946800000e-01 -1.4829000000e-02 -1.8848390000e+00  2.0596270000e+00 -7.6902300000e-01 -1.8811280000e+00  2.6490420000e+00 -1.8808000000e-01 -2.6044900000e+00  1.4527350000e+00
-ENERGY -1.526603614263e+02
-FORCES  2.4452000000e-03 -6.7901000000e-03  9.7231000000e-03 -9.0500000000e-05  3.4539000000e-03 -1.0828500000e-02 -2.4624000000e-03 -1.3471000000e-03  2.4370000000e-03 -5.0440000000e-03 -2.2440000000e-04  2.1010000000e-04  3.7950000000e-03 -1.3546000000e-03 -3.1433000000e-03  1.3568000000e-03  6.2622000000e-03  1.6016000000e-03
-
-JOB 312
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9503700000e-01  3.0604600000e-01 -6.8447000000e-01  2.0639000000e-02 -9.5418200000e-01 -7.3089000000e-02 -3.1531920000e+00  5.0519900000e-01  1.1807600000e+00 -3.4003440000e+00  1.7732000000e-01  3.1609600000e-01 -2.4995690000e+00 -1.1887900000e-01  1.4962520000e+00
-ENERGY -1.526543495163e+02
-FORCES  3.8935000000e-03 -1.0563000000e-03 -3.7988000000e-03 -2.5294000000e-03 -1.6829000000e-03  2.8263000000e-03 -1.6240000000e-03  4.1706000000e-03  1.0199000000e-03  5.1946000000e-03 -2.9539000000e-03 -3.5689000000e-03 -4.2560000000e-04  8.1550000000e-04  3.3883000000e-03 -4.5091000000e-03  7.0710000000e-04  1.3320000000e-04
-
-JOB 313
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3687300000e-01 -1.6375100000e-01  1.0810800000e-01  3.9154700000e-01 -2.9442700000e-01  8.2233500000e-01 -8.5689000000e-02  2.6679090000e+00  2.2945500000e-01 -8.4348500000e-01  2.8742700000e+00  7.7662400000e-01 -1.4254800000e-01  1.7230430000e+00  8.7232000000e-02
-ENERGY -1.526575266569e+02
-FORCES  3.2880000000e-04  3.1493000000e-03  4.4219000000e-03  5.5521000000e-03  5.2692000000e-03  5.9060000000e-04 -3.5156000000e-03  1.9981000000e-03 -4.3667000000e-03  3.4740000000e-04 -1.7097100000e-02 -1.6099000000e-03  1.9280000000e-03 -3.1914000000e-03 -1.6332000000e-03 -4.6406000000e-03  9.8720000000e-03  2.5973000000e-03
-
-JOB 314
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1133500000e-01  1.2903000000e-01  6.2736400000e-01 -7.9701300000e-01  1.6635300000e-01  5.0331700000e-01  2.0403100000e-01 -1.7007170000e+00 -2.3516730000e+00 -3.0821000000e-02 -2.5968720000e+00 -2.1108770000e+00  3.2224800000e-01 -1.2506080000e+00 -1.5152180000e+00
-ENERGY -1.526606862203e+02
-FORCES -2.6122000000e-03  1.6881000000e-03  2.9715000000e-03 -3.7806000000e-03 -1.2729000000e-03 -3.0061000000e-03  4.5692000000e-03 -3.2520000000e-04 -9.5890000000e-04 -1.4195000000e-03  3.2275000000e-03  8.6703000000e-03  5.3830000000e-04  2.9386000000e-03 -3.0960000000e-04  2.7049000000e-03 -6.2561000000e-03 -7.3671000000e-03
-
-JOB 315
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2032600000e-01  7.1312600000e-01  3.7005800000e-01 -1.2153800000e-01  8.0131000000e-02 -9.4606500000e-01 -1.1811970000e+00  7.0075500000e-01 -2.6248500000e+00 -2.0575330000e+00  3.1686800000e-01 -2.5948900000e+00 -6.1611100000e-01 -1.3763000000e-02 -2.9187420000e+00
-ENERGY -1.526570669016e+02
-FORCES -6.1204000000e-03  7.4044000000e-03 -7.2954000000e-03  1.6661000000e-03 -2.8793000000e-03  8.5870000000e-04  4.8812000000e-03 -6.2851000000e-03  1.6703000000e-03 -3.6499000000e-03 -4.2067000000e-03 -2.0516000000e-03  4.6444000000e-03  2.1109000000e-03 -7.2100000000e-05 -1.4213000000e-03  3.8558000000e-03  6.8902000000e-03
-
-JOB 316
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0426000000e-02 -8.0993700000e-01  5.1002500000e-01  9.2914900000e-01  1.9895900000e-01 -1.1545300000e-01 -1.8471450000e+00  1.7247310000e+00  1.0059310000e+00 -1.0954260000e+00  1.3251290000e+00  5.6835900000e-01 -1.5911000000e+00  2.6376830000e+00  1.1370450000e+00
-ENERGY -1.526602551148e+02
-FORCES -1.6288000000e-03 -8.5990000000e-04  4.6066000000e-03  1.8499000000e-03  3.7489000000e-03 -3.2767000000e-03 -4.8640000000e-03 -5.2520000000e-04  1.4285000000e-03  9.5704000000e-03 -6.9376000000e-03 -5.3386000000e-03 -6.0660000000e-03  8.0606000000e-03  3.7520000000e-03  1.1385000000e-03 -3.4868000000e-03 -1.1718000000e-03
-
-JOB 317
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7101700000e-01  2.0210600000e-01  5.3001700000e-01  7.6187000000e-02 -9.5328500000e-01  4.0924000000e-02 -4.5243200000e-01 -2.4993290000e+00  4.9594600000e-01 -1.2119650000e+00 -3.0101130000e+00  7.7602000000e-01  3.0191300000e-01 -3.0184140000e+00  7.7477900000e-01
-ENERGY -1.526550602171e+02
-FORCES -7.7289000000e-03 -1.9144400000e-02  5.9675000000e-03  1.0360000000e-03  1.2628000000e-03 -1.3066000000e-03  6.6123000000e-03  1.0464000000e-03 -1.2269000000e-03 -6.2610000000e-04  1.1560400000e-02 -1.4176000000e-03  4.8596000000e-03  1.3804000000e-03 -7.7200000000e-05 -4.1528000000e-03  3.8943000000e-03 -1.9392000000e-03
-
-JOB 318
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7388600000e-01 -7.2689900000e-01 -4.0408200000e-01 -8.9839100000e-01 -9.3545000000e-02 -3.1682000000e-01 -1.0980410000e+00 -2.8743890000e+00 -5.9143000000e-01 -3.5785200000e-01 -2.9761840000e+00  6.8920000000e-03 -1.8674770000e+00 -2.8662390000e+00 -2.2101000000e-02
-ENERGY -1.526563227771e+02
-FORCES -3.9514000000e-03 -6.2559000000e-03 -5.8468000000e-03  1.0956000000e-03  1.9979000000e-03  3.5617000000e-03  2.3314000000e-03  2.9077000000e-03  2.7287000000e-03 -5.2780000000e-04 -9.2560000000e-04  6.6476000000e-03 -2.0521000000e-03  1.7292000000e-03 -4.0612000000e-03  3.1043000000e-03  5.4670000000e-04 -3.0301000000e-03
-
-JOB 319
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3948500000e-01  6.8950400000e-01 -5.7058400000e-01 -1.8908000000e-02 -7.8976000000e-01 -5.4051300000e-01 -2.1262940000e+00  2.5915600000e-01  1.9594590000e+00 -2.0866100000e+00 -5.2975600000e-01  2.5000840000e+00 -1.4594940000e+00  1.2266000000e-01  1.2864230000e+00
-ENERGY -1.526609710795e+02
-FORCES  3.7720000000e-04 -1.6450000000e-04 -5.2780000000e-03  3.0140000000e-04 -4.6359000000e-03  4.3165000000e-03 -4.4820000000e-04  4.1565000000e-03  3.0173000000e-03  9.3607000000e-03 -3.8766000000e-03 -4.7385000000e-03 -1.4640000000e-04  1.9659000000e-03 -2.0079000000e-03 -9.4446000000e-03  2.5546000000e-03  4.6907000000e-03
-
-JOB 320
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7009600000e-01  5.5860600000e-01  6.1903200000e-01 -9.2262700000e-01  2.1707700000e-01  1.3367300000e-01 -1.1885590000e+00  1.5245140000e+00  2.8802210000e+00 -2.0133470000e+00  1.8493560000e+00  3.2413780000e+00 -5.2708800000e-01  1.7836120000e+00  3.5217470000e+00
-ENERGY -1.526571613612e+02
-FORCES -3.3083000000e-03  4.2182000000e-03  5.8226000000e-03  7.7940000000e-04 -2.4465000000e-03 -3.5059000000e-03  2.8895000000e-03 -1.8132000000e-03 -3.0755000000e-03 -1.3114000000e-03  2.4372000000e-03  5.4281000000e-03  3.5871000000e-03 -1.4169000000e-03 -1.5043000000e-03 -2.6363000000e-03 -9.7880000000e-04 -3.1651000000e-03
-
-JOB 321
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9292700000e-01  9.3359400000e-01  8.6101000000e-02  7.5287200000e-01 -3.5827500000e-01 -4.7016400000e-01  2.6779200000e-01  2.7450850000e+00 -1.2880700000e+00  1.2051120000e+00  2.6810020000e+00 -1.4712540000e+00 -1.3060300000e-01  2.0688580000e+00 -1.8360020000e+00
-ENERGY -1.526580036591e+02
-FORCES  3.9772000000e-03  6.1191000000e-03 -4.4710000000e-04 -3.6020000000e-04 -8.0882000000e-03 -7.0000000000e-06 -3.0647000000e-03  2.1195000000e-03  5.3840000000e-04  5.4830000000e-04 -1.9852000000e-03 -6.0585000000e-03 -4.4881000000e-03 -1.5142000000e-03  2.3107000000e-03  3.3874000000e-03  3.3489000000e-03  3.6635000000e-03
-
-JOB 322
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9330900000e-01 -1.5380300000e-01 -8.9807900000e-01  4.5689700000e-01 -6.6234400000e-01  5.1843800000e-01  1.2182830000e+00 -1.6697050000e+00  1.6625030000e+00  1.1850020000e+00 -2.0066020000e+00  2.5578380000e+00  1.9345940000e+00 -2.1529840000e+00  1.2507110000e+00
-ENERGY -1.526578282725e+02
-FORCES  6.3852000000e-03 -9.6053000000e-03  9.4270000000e-03  7.0840000000e-04 -1.1802000000e-03  3.6295000000e-03 -7.6350000000e-04  3.3302000000e-03 -7.8967000000e-03 -4.4678000000e-03  4.6725000000e-03 -2.1331000000e-03  2.4812000000e-03  3.0100000000e-05 -4.6045000000e-03 -4.3434000000e-03  2.7527000000e-03  1.5778000000e-03
-
-JOB 323
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7006600000e-01 -2.4291100000e-01 -3.1656200000e-01 -5.2285800000e-01  1.0820900000e-01 -7.9444400000e-01 -1.5839450000e+00 -3.1413930000e+00 -4.5867000000e-01 -1.9570430000e+00 -2.2643350000e+00 -3.7036700000e-01 -6.4884200000e-01 -2.9915140000e+00 -5.9778000000e-01
-ENERGY -1.526549994242e+02
-FORCES  2.9184000000e-03  1.9641000000e-03 -4.1977000000e-03 -4.3508000000e-03  1.5570000000e-04  1.2738000000e-03  1.4693000000e-03 -2.3188000000e-03  4.0950000000e-03  3.2417000000e-03  5.6512000000e-03  2.2426000000e-03 -5.5800000000e-05 -3.7188000000e-03 -2.3234000000e-03 -3.2227000000e-03 -1.7334000000e-03 -1.0903000000e-03
-
-JOB 324
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4285500000e-01  5.3816800000e-01 -7.7858800000e-01  8.7315000000e-01  2.4641100000e-01  3.0515800000e-01  3.2119890000e+00  4.4995200000e-01 -1.9385000000e+00  3.0171540000e+00  1.3742220000e+00 -1.7835950000e+00  3.6506180000e+00  1.5983400000e-01 -1.1387070000e+00
-ENERGY -1.526537943552e+02
-FORCES  3.9154000000e-03  2.3571000000e-03 -3.7749000000e-03 -2.6960000000e-04 -1.3055000000e-03  3.8477000000e-03 -3.3074000000e-03 -3.7340000000e-04  1.2890000000e-04  2.8274000000e-03  2.0226000000e-03  2.7569000000e-03 -4.2840000000e-04 -4.4045000000e-03  2.3800000000e-05 -2.7374000000e-03  1.7037000000e-03 -2.9825000000e-03
-
-JOB 325
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3017300000e-01 -9.2413300000e-01 -9.6076000000e-02  7.4220800000e-01  1.2519100000e-01 -5.9134300000e-01 -1.7660400000e-01 -2.6438580000e+00 -3.5122000000e-02  1.0175300000e-01 -3.1098770000e+00  7.5327900000e-01 -9.5084100000e-01 -3.1203080000e+00 -3.3476200000e-01
-ENERGY -1.526595964047e+02
-FORCES  6.8280000000e-04 -1.7631800000e-02 -1.8165000000e-03 -1.4198000000e-03  8.4228000000e-03 -1.0680000000e-03 -1.7699000000e-03 -7.1480000000e-04  1.5889000000e-03  8.1670000000e-04  6.2817000000e-03  3.7360000000e-03 -2.3667000000e-03  6.3960000000e-04 -4.8188000000e-03  4.0570000000e-03  3.0025000000e-03  2.3784000000e-03
-
-JOB 326
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5609200000e-01 -1.5652000000e-02 -4.3308000000e-02 -2.7927800000e-01 -6.7669300000e-01 -6.1670300000e-01 -1.6559030000e+00 -1.4996220000e+00 -1.8880520000e+00 -1.3249980000e+00 -9.7048100000e-01 -2.6138230000e+00 -2.3616460000e+00 -2.0196280000e+00 -2.2724360000e+00
-ENERGY -1.526588457846e+02
-FORCES -1.6876000000e-03 -5.5834000000e-03 -2.7330000000e-03 -3.7672000000e-03 -2.9810000000e-04 -9.4490000000e-04  6.3167000000e-03  6.4152000000e-03  1.6631000000e-03 -3.8823000000e-03 -3.4750000000e-04 -2.8364000000e-03  5.5900000000e-05 -3.2539000000e-03  4.6721000000e-03  2.9644000000e-03  3.0677000000e-03  1.7900000000e-04
-
-JOB 327
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2113400000e-01 -2.1668000000e-02 -9.0146300000e-01  9.3141300000e-01  2.0492200000e-01 -8.1903000000e-02  7.2817000000e-01 -1.9188990000e+00 -2.1408190000e+00  2.2510700000e-01 -2.5411190000e+00 -2.6661770000e+00  6.8904400000e-01 -1.1003840000e+00 -2.6355250000e+00
-ENERGY -1.526510793843e+02
-FORCES  4.3366000000e-03 -5.7496000000e-03 -6.2744000000e-03  5.8990000000e-04  3.3131000000e-03  9.9170000000e-04 -3.6913000000e-03  9.6070000000e-04  2.6590000000e-04 -1.9454000000e-03 -2.6490000000e-04 -2.7712000000e-03  1.9949000000e-03  3.2898000000e-03  2.7507000000e-03 -1.2847000000e-03 -1.5490000000e-03  5.0372000000e-03
-
-JOB 328
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5835300000e-01 -7.8575400000e-01  5.2320800000e-01  3.7620500000e-01  7.1237700000e-01  5.1693400000e-01  1.4009110000e+00 -4.6786300000e-01 -2.3525900000e+00  1.9112540000e+00 -3.6117600000e-01 -1.5498450000e+00  4.8917300000e-01 -4.1137400000e-01 -2.0666260000e+00
-ENERGY -1.526567720161e+02
-FORCES  3.1565000000e-03 -7.0700000000e-05  3.3890000000e-04  5.8640000000e-04  4.0702000000e-03 -3.3005000000e-03 -4.3800000000e-04 -4.3301000000e-03 -2.4679000000e-03 -7.0940000000e-03  3.5022000000e-03  1.3196200000e-02  2.7231000000e-03 -8.7630000000e-04 -2.0333000000e-03  1.0661000000e-03 -2.2954000000e-03 -5.7334000000e-03
-
-JOB 329
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0697400000e-01  4.0058600000e-01 -8.1334500000e-01  6.7163500000e-01 -6.4637400000e-01  2.1757300000e-01  1.6143000000e-02 -2.3164490000e+00 -1.7890960000e+00  9.4393800000e-01 -2.5414810000e+00 -1.7198930000e+00  1.1230000000e-02 -1.3906190000e+00 -2.0320930000e+00
-ENERGY -1.526494975706e+02
-FORCES  3.3606000000e-03 -5.9667000000e-03 -2.6456000000e-03 -2.2110000000e-03 -4.5808000000e-03  7.2540000000e-04 -9.2590000000e-04  3.9685000000e-03 -1.0248000000e-03  1.0776000000e-03  5.9147000000e-03  1.7385000000e-03 -3.9189000000e-03  2.3332000000e-03  1.6230000000e-03  2.6176000000e-03 -1.6690000000e-03 -4.1650000000e-04
-
-JOB 330
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7664500000e-01  3.1146100000e-01  7.6943700000e-01 -5.8988200000e-01  1.7256800000e-01 -7.3382000000e-01 -1.9040670000e+00  2.2374000000e-01 -2.1188780000e+00 -1.5899200000e+00 -4.5333000000e-01 -2.7181430000e+00 -2.1349360000e+00  9.5871800000e-01 -2.6869790000e+00
-ENERGY -1.526616802678e+02
-FORCES -9.6427000000e-03  2.6191000000e-03 -5.6554000000e-03  1.4203000000e-03 -5.4390000000e-04 -2.2036000000e-03  7.8606000000e-03 -2.5961000000e-03  6.0659000000e-03  4.0090000000e-04  2.4370000000e-04 -3.7008000000e-03 -9.5290000000e-04  4.5180000000e-03  3.3395000000e-03  9.1380000000e-04 -4.2407000000e-03  2.1545000000e-03
-
-JOB 331
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9557200000e-01  2.5261000000e-01 -2.2443500000e-01  1.9901000000e-02 -9.4893300000e-01 -1.2394000000e-01  5.1948800000e-01  1.7655370000e+00  2.2745490000e+00 -1.7820400000e-01  1.5116750000e+00  2.8787120000e+00  5.4787000000e-01  1.0584500000e+00  1.6299930000e+00
-ENERGY -1.526608240520e+02
-FORCES -3.7287000000e-03 -1.5729000000e-03 -2.4206000000e-03  4.2018000000e-03 -2.4260000000e-03  1.5321000000e-03 -9.5290000000e-04  4.6841000000e-03  7.3250000000e-04 -2.4512000000e-03 -7.5513000000e-03 -5.4399000000e-03  1.6840000000e-03  8.2820000000e-04 -2.2002000000e-03  1.2471000000e-03  6.0380000000e-03  7.7961000000e-03
-
-JOB 332
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8969400000e-01 -5.8772000000e-01 -5.7534100000e-01 -9.1309400000e-01 -2.6745100000e-01 -1.0469400000e-01  1.9534170000e+00  2.1954860000e+00  1.2665930000e+00  2.6784330000e+00  2.2564830000e+00  1.8885760000e+00  2.2694160000e+00  2.6480050000e+00  4.8454200000e-01
-ENERGY -1.526514797500e+02
-FORCES -1.0849000000e-03 -3.4809000000e-03 -2.1922000000e-03 -1.9948000000e-03  2.6862000000e-03  2.1720000000e-03  4.0338000000e-03  1.5331000000e-03  7.4980000000e-04  3.2857000000e-03  1.7411000000e-03 -1.4830000000e-03 -3.3433000000e-03 -7.3230000000e-04 -2.5739000000e-03 -8.9650000000e-04 -1.7470000000e-03  3.3273000000e-03
-
-JOB 333
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2659700000e-01  6.9594800000e-01 -1.9815400000e-01  8.5586900000e-01  4.2527300000e-01 -5.3501000000e-02 -3.1412510000e+00 -2.2938400000e-01 -1.6366280000e+00 -2.6617120000e+00 -1.0500150000e+00 -1.5233150000e+00 -4.0532650000e+00 -4.9778600000e-01 -1.7480820000e+00
-ENERGY -1.526576548465e+02
-FORCES  4.3700000000e-04  5.3247000000e-03 -1.0674000000e-03  4.5593000000e-03 -3.1238000000e-03  1.6120000000e-03 -3.3947000000e-03 -1.5204000000e-03  2.8960000000e-04 -1.9268000000e-03 -5.2648000000e-03 -1.7210000000e-04 -3.3928000000e-03  3.7874000000e-03 -9.7850000000e-04  3.7181000000e-03  7.9690000000e-04  3.1640000000e-04
-
-JOB 334
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8580000000e-01 -7.4875800000e-01  1.1149600000e-01  3.6563500000e-01  6.7754600000e-01  5.6874900000e-01  2.1097470000e+00 -1.2554940000e+00  1.2585560000e+00  2.8040790000e+00 -8.4520000000e-01  7.4300500000e-01  2.3353300000e+00 -2.1856880000e+00  1.2676570000e+00
-ENERGY -1.526578587186e+02
-FORCES  1.0627200000e-02 -5.5084000000e-03  1.0180300000e-02 -3.9236000000e-03  1.4882000000e-03 -6.6022000000e-03 -1.2122000000e-03  3.5210000000e-04 -2.9116000000e-03  1.6986000000e-03  5.0370000000e-04 -1.1344000000e-03 -5.3312000000e-03 -1.9198000000e-03  1.9734000000e-03 -1.8589000000e-03  5.0843000000e-03 -1.5054000000e-03
-
-JOB 335
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7161400000e-01  2.5375400000e-01 -3.0352900000e-01  5.7418000000e-02 -9.4653900000e-01  1.3038200000e-01 -6.3725000000e-02 -2.7620530000e+00 -1.5830600000e-01  2.2413200000e-01 -3.2319120000e+00  6.2438400000e-01  6.0891000000e-01 -2.9509840000e+00 -8.1259900000e-01
-ENERGY -1.526591598786e+02
-FORCES  8.8320000000e-04 -1.3489800000e-02 -1.0468000000e-03 -2.3909000000e-03 -2.2925000000e-03  4.8030000000e-04  2.6715000000e-03  1.0437700000e-02  1.8854000000e-03  2.2133000000e-03 -1.0203000000e-03 -1.6263000000e-03 -6.8310000000e-04  4.2418000000e-03 -4.3365000000e-03 -2.6940000000e-03  2.1230000000e-03  4.6440000000e-03
-
-JOB 336
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.5937700000e-01 -9.0876900000e-01  1.5196800000e-01  4.3370500000e-01  2.3961100000e-01 -8.1897400000e-01  7.5237800000e-01 -2.7259950000e+00  2.9785100000e-01  1.1660700000e-01 -3.3477480000e+00  6.5204100000e-01  1.0429210000e+00 -3.1217250000e+00 -5.2386300000e-01
-ENERGY -1.526609847069e+02
-FORCES  4.7363000000e-03 -1.0953100000e-02 -3.2160000000e-04 -2.9835000000e-03  9.9845000000e-03 -1.4285000000e-03 -1.0941000000e-03 -1.4322000000e-03  2.0435000000e-03 -2.3641000000e-03 -2.2868000000e-03 -1.7797000000e-03  3.5712000000e-03  2.5616000000e-03 -2.5024000000e-03 -1.8659000000e-03  2.1261000000e-03  3.9886000000e-03
-
-JOB 337
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2779700000e-01 -7.1949400000e-01  5.8878500000e-01  1.3190300000e-01  7.8998400000e-01  5.2417400000e-01  1.8741960000e+00 -5.3482000000e-01 -2.0552730000e+00  1.0430770000e+00 -2.8804200000e-01 -1.6495950000e+00  2.4445550000e+00 -7.5535000000e-01 -1.3188700000e+00
-ENERGY -1.526591393551e+02
-FORCES  3.0404000000e-03  1.4860000000e-04  2.7517000000e-03  2.4960000000e-04  4.0796000000e-03 -3.1410000000e-03 -1.2980000000e-04 -4.5874000000e-03 -1.9400000000e-03 -7.1847000000e-03  2.7720000000e-03  1.0979000000e-02  4.6847000000e-03 -2.2039000000e-03 -6.7975000000e-03 -6.6030000000e-04 -2.0890000000e-04 -1.8521000000e-03
-
-JOB 338
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4633600000e-01  1.4237400000e-01  2.0237000000e-02  2.9252100000e-01  2.0463100000e-01  8.8813800000e-01  4.1293000000e-01  3.0568710000e+00  1.5183510000e+00  1.5548200000e-01  2.1854010000e+00  1.8191700000e+00  1.3694800000e+00  3.0299910000e+00  1.4954850000e+00
-ENERGY -1.526510303051e+02
-FORCES -3.2426000000e-03  2.2314000000e-03  2.3296000000e-03  4.3798000000e-03 -1.0653000000e-03  5.7720000000e-04 -1.2791000000e-03  1.4249000000e-03 -1.8712000000e-03  3.5476000000e-03 -3.4285000000e-03 -6.1150000000e-04  9.1200000000e-04  8.5530000000e-04 -1.2098000000e-03 -4.3178000000e-03 -1.7700000000e-05  7.8560000000e-04
-
-JOB 339
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5532200000e-01 -4.3615000000e-02 -8.8773600000e-01 -9.4843500000e-01  4.0203000000e-02 -1.2282600000e-01 -1.7489000000e-01 -2.8209270000e+00 -1.1387720000e+00 -3.5893400000e-01 -2.0748920000e+00 -1.7095530000e+00  7.4390500000e-01 -2.7138630000e+00 -8.9263300000e-01
-ENERGY -1.526505174164e+02
-FORCES -4.1824000000e-03 -3.0355000000e-03 -3.2225000000e-03 -1.4952000000e-03 -2.4354000000e-03  2.3883000000e-03  4.3478000000e-03  7.0070000000e-04 -4.9350000000e-04  3.8166000000e-03  6.7822000000e-03  2.9942000000e-03  5.8060000000e-04 -7.2840000000e-04  1.2352000000e-03 -3.0674000000e-03 -1.2836000000e-03 -2.9016000000e-03
-
-JOB 340
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8788200000e-01 -6.7030100000e-01 -6.1971900000e-01  6.3104200000e-01  7.1186400000e-01 -1.0614800000e-01  1.1499850000e+00 -2.8693430000e+00 -1.0696950000e+00  1.6464090000e+00 -2.9149210000e+00 -2.5255600000e-01  2.6856100000e-01 -3.1566070000e+00 -8.3136200000e-01
-ENERGY -1.526595501744e+02
-FORCES  4.6461000000e-03 -1.3693000000e-03 -4.6818000000e-03 -4.0969000000e-03  5.6433000000e-03  4.6425000000e-03 -2.1009000000e-03 -2.7025000000e-03  6.5810000000e-04 -3.4480000000e-04 -5.3425000000e-03  5.1297000000e-03 -2.3033000000e-03  6.5830000000e-04 -4.2723000000e-03  4.1998000000e-03  3.1127000000e-03 -1.4761000000e-03
-
-JOB 341
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6309100000e-01 -3.2587400000e-01 -7.7174100000e-01 -8.3569000000e-02 -7.6425700000e-01  5.7022700000e-01  1.3965660000e+00  6.7407200000e-01 -2.9081530000e+00  1.7758180000e+00  1.4655130000e+00 -3.2902800000e+00  1.7521420000e+00 -4.1214000000e-02 -3.4355650000e+00
-ENERGY -1.526570627301e+02
-FORCES  2.3911000000e-03 -2.6081000000e-03 -3.1784000000e-03 -3.1764000000e-03 -2.2290000000e-03  6.4631000000e-03  5.7650000000e-04  2.7607000000e-03 -2.5712000000e-03  3.2742000000e-03  3.4603000000e-03 -4.6059000000e-03 -1.2443000000e-03 -3.8903000000e-03  5.4870000000e-04 -1.8211000000e-03  2.5065000000e-03  3.3438000000e-03
-
-JOB 342
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0081200000e-01  5.6942000000e-02  5.2123800000e-01 -1.2475900000e-01  6.3849000000e-01 -7.0213700000e-01 -3.9359100000e-01 -1.2717130000e+00 -2.4319920000e+00  3.4073300000e-01 -7.4996200000e-01 -2.7556850000e+00 -5.7243700000e-01 -9.1939000000e-01 -1.5601470000e+00
-ENERGY -1.526536486775e+02
-FORCES -1.7593000000e-03  2.6697000000e-03 -1.3819000000e-03  3.8329000000e-03 -1.6977000000e-03 -4.9724000000e-03 -5.7450000000e-04 -9.3184000000e-03 -3.7950000000e-04  6.0568000000e-03  4.0134000000e-03  1.2580900000e-02 -3.3629000000e-03  7.3600000000e-05  1.1542000000e-03 -4.1930000000e-03  4.2594000000e-03 -7.0014000000e-03
-
-JOB 343
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4190800000e-01 -5.5828500000e-01 -2.3264100000e-01 -7.6610500000e-01 -4.6854600000e-01 -3.3133100000e-01  2.8697850000e+00 -3.7880600000e-01  1.4058620000e+00  3.7003050000e+00 -9.2747000000e-02  1.7861760000e+00  2.7528400000e+00  1.7956300000e-01  6.3724000000e-01
-ENERGY -1.526543362375e+02
-FORCES -5.7040000000e-04 -5.8538000000e-03 -6.7090000000e-04 -1.7643000000e-03  5.0047000000e-03 -9.2570000000e-04  2.9819000000e-03  1.9363000000e-03  1.4962000000e-03  2.9071000000e-03  5.1684000000e-03 -5.3300000000e-05 -3.5770000000e-03 -1.0760000000e-03 -1.3750000000e-03  2.2600000000e-05 -5.1796000000e-03  1.5288000000e-03
-
-JOB 344
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4946000000e-02  5.6244400000e-01 -7.7089000000e-01  8.8084900000e-01 -3.7014400000e-01 -5.7707000000e-02  1.1791360000e+00  2.9176750000e+00 -4.3602100000e-01  5.0618000000e-01  2.9109040000e+00  2.4465200000e-01  1.0876370000e+00  2.0706560000e+00 -8.7239200000e-01
-ENERGY -1.526514579663e+02
-FORCES  3.3287000000e-03 -9.0110000000e-04 -2.9333000000e-03  4.2044000000e-03  1.9760000000e-03  4.1069000000e-03 -4.3848000000e-03  2.7824000000e-03 -3.9770000000e-04 -3.7247000000e-03 -5.2260000000e-03  4.4986000000e-03  2.7192000000e-03  1.7792000000e-03 -3.8914000000e-03 -2.1429000000e-03 -4.1050000000e-04 -1.3831000000e-03
-
-JOB 345
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3771200000e-01  8.9428600000e-01  4.9353000000e-02  4.1454600000e-01 -3.7041400000e-01 -7.7921600000e-01 -2.6631490000e+00  3.0723000000e-02 -3.5783800000e-01 -1.7105370000e+00  1.9953000000e-02 -2.6485600000e-01 -2.9762820000e+00  4.7336900000e-01  4.3098700000e-01
-ENERGY -1.526597619852e+02
-FORCES -3.3813000000e-03  1.7290000000e-03 -3.1867000000e-03 -2.5439000000e-03 -4.9517000000e-03 -6.2540000000e-04 -3.1032000000e-03  3.0719000000e-03  4.0956000000e-03  1.6880000000e-02 -1.9820000000e-04  5.1997000000e-03 -9.7110000000e-03  7.8060000000e-04 -3.4230000000e-03  1.8594000000e-03 -4.3170000000e-04 -2.0603000000e-03
-
-JOB 346
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4335500000e-01  4.9416200000e-01 -6.1384200000e-01 -5.8309000000e-02  5.6043800000e-01  7.7378400000e-01 -2.1375600000e+00  1.6558620000e+00 -1.4475650000e+00 -1.9341330000e+00  9.1195300000e-01 -8.8060000000e-01 -3.0389800000e+00  1.5024170000e+00 -1.7306370000e+00
-ENERGY -1.526601941794e+02
-FORCES  5.6532000000e-03  4.6098000000e-03  1.8170000000e-04 -2.4760000000e-03 -2.8539000000e-03  3.5996000000e-03 -1.2985000000e-03 -2.6879000000e-03 -4.1154000000e-03 -3.6040000000e-04 -5.5567000000e-03  1.9336000000e-03 -5.0239000000e-03  6.6725000000e-03 -3.1939000000e-03  3.5056000000e-03 -1.8370000000e-04  1.5945000000e-03
-
-JOB 347
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6574800000e-01 -2.5911000000e-02 -8.8418800000e-01  9.0165200000e-01 -3.0395100000e-01 -1.0426000000e-01 -2.2094110000e+00  4.7894000000e-02 -1.9793110000e+00 -2.2074670000e+00 -7.2620400000e-01 -2.5423380000e+00 -2.2116420000e+00  7.8701600000e-01 -2.5875250000e+00
-ENERGY -1.526587375692e+02
-FORCES -3.4679000000e-03 -4.5500000000e-04 -5.7217000000e-03  8.9219000000e-03 -6.3080000000e-04  5.0314000000e-03 -3.9200000000e-03  8.2040000000e-04 -8.5940000000e-04 -4.2815000000e-03  2.3790000000e-04 -4.4577000000e-03  1.6629000000e-03  4.1963000000e-03  2.9905000000e-03  1.0846000000e-03 -4.1687000000e-03  3.0169000000e-03
-
-JOB 348
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9844500000e-01 -1.6870200000e-01  7.2776000000e-01  2.3232600000e-01 -6.5473500000e-01 -6.5846600000e-01 -3.8766400000e-01  2.6143110000e+00  2.0757100000e-01 -1.1015860000e+00  2.6264500000e+00  8.4506600000e-01 -3.4709300000e-01  1.7054550000e+00 -9.0030000000e-02
-ENERGY -1.526597549831e+02
-FORCES  2.2143000000e-03  6.6832000000e-03  1.6356000000e-03 -3.2134000000e-03 -7.5880000000e-04 -4.3212000000e-03 -1.4760000000e-04  2.9893000000e-03  4.2212000000e-03 -3.4480000000e-04 -1.6275500000e-02 -1.6961000000e-03  2.4811000000e-03 -7.5240000000e-04 -1.1607000000e-03 -9.8960000000e-04  8.1142000000e-03  1.3212000000e-03
-
-JOB 349
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7218800000e-01 -6.5077600000e-01 -6.4702100000e-01 -7.5079400000e-01  8.2394000000e-02  5.8800700000e-01  1.2522930000e+00  1.5177860000e+00 -3.1976300000e+00  1.7989450000e+00  1.4794800000e+00 -2.4128140000e+00  3.5459300000e-01  1.4971920000e+00 -2.8660560000e+00
-ENERGY -1.526567553347e+02
-FORCES -4.3519000000e-03 -3.6410000000e-03  1.4674000000e-03  9.5490000000e-04  3.7719000000e-03  2.4849000000e-03  3.0957000000e-03 -3.9580000000e-04 -2.8254000000e-03 -1.3917000000e-03  1.9140000000e-04  6.3839000000e-03 -1.1933000000e-03  3.7430000000e-04 -4.5117000000e-03  2.8863000000e-03 -3.0080000000e-04 -2.9991000000e-03
-
-JOB 350
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3230300000e-01 -7.0356700000e-01 -4.8408600000e-01  4.7462400000e-01 -4.4722700000e-01  7.0067900000e-01  1.2997330000e+00 -8.9624100000e-01  2.4434820000e+00  1.0822030000e+00 -6.5678000000e-02  2.8666580000e+00  8.3308100000e-01 -1.5562550000e+00  2.9561690000e+00
-ENERGY -1.526614373316e+02
-FORCES  4.3789000000e-03 -6.2731000000e-03  6.1633000000e-03  1.4286000000e-03  1.6306000000e-03  2.3362000000e-03 -5.8388000000e-03  4.8604000000e-03 -8.0286000000e-03 -2.4513000000e-03  1.3168000000e-03  5.2870000000e-03  5.7040000000e-04 -4.9960000000e-03 -2.9691000000e-03  1.9123000000e-03  3.4613000000e-03 -2.7888000000e-03
-
-JOB 351
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8775200000e-01 -5.1016100000e-01 -6.4658000000e-01  1.4091100000e-01 -6.0618300000e-01  7.2726800000e-01 -2.7263000000e-02 -1.7120290000e+00  2.1569150000e+00  7.2642200000e-01 -1.3320730000e+00  2.6083840000e+00 -7.7589100000e-01 -1.4889280000e+00  2.7101000000e+00
-ENERGY -1.526598065778e+02
-FORCES -2.0500000000e-03 -1.2250400000e-02  9.2651000000e-03  8.8070000000e-04  1.5679000000e-03  1.8797000000e-03  4.1068000000e-03  7.8778000000e-03 -5.0883000000e-03 -2.5422000000e-03  4.2397000000e-03  1.5370000000e-03 -4.8775000000e-03 -6.9100000000e-05 -5.2313000000e-03  4.4822000000e-03 -1.3659000000e-03 -2.3621000000e-03
-
-JOB 352
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6232700000e-01 -2.2883000000e-02 -7.7427200000e-01 -2.6451200000e-01 -7.6468500000e-01  5.1139200000e-01 -8.5821300000e-01 -1.6854300000e+00  2.0104320000e+00 -9.1507400000e-01 -1.0402010000e+00  2.7151850000e+00 -1.7323240000e+00 -1.6924860000e+00  1.6204150000e+00
-ENERGY -1.526583972710e+02
-FORCES -2.7661000000e-03 -9.3253000000e-03  7.7861000000e-03  3.1500000000e-04 -1.3984000000e-03  4.2159000000e-03 -1.5658000000e-03  6.3674000000e-03 -9.0042000000e-03 -2.2136000000e-03  6.6321000000e-03  1.9967000000e-03 -5.2860000000e-04 -4.0617000000e-03 -3.5819000000e-03  6.7591000000e-03  1.7858000000e-03 -1.4127000000e-03
-
-JOB 353
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8474500000e-01 -3.1453100000e-01 -1.8581900000e-01  1.3163800000e-01  8.0034200000e-01  5.0828700000e-01  1.1040320000e+00  2.1843650000e+00 -2.1841890000e+00  4.9743900000e-01  2.3102660000e+00 -2.9138640000e+00  1.3329170000e+00  1.2556190000e+00 -2.2198960000e+00
-ENERGY -1.526546396928e+02
-FORCES  3.9184000000e-03  4.7119000000e-03  1.7621000000e-03 -3.3555000000e-03  1.3914000000e-03 -1.3293000000e-03 -8.0230000000e-04 -4.7105000000e-03 -6.7970000000e-04 -4.1101000000e-03 -4.7600000000e-03 -2.7508000000e-03  2.8468000000e-03 -6.8000000000e-05  2.5505000000e-03  1.5027000000e-03  3.4353000000e-03  4.4720000000e-04
-
-JOB 354
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4268900000e-01 -8.6583000000e-02  1.4167500000e-01  2.1763900000e-01  8.6239200000e-01  3.5375700000e-01  1.9000900000e+00  1.7576160000e+00  1.9616840000e+00  2.1301470000e+00  1.4395330000e+00  2.8346850000e+00  2.0290010000e+00  2.7048780000e+00  2.0097200000e+00
-ENERGY -1.526578003132e+02
-FORCES -2.3750000000e-04  4.3681000000e-03  3.7650000000e-03  3.4997000000e-03  3.9000000000e-04 -2.3250000000e-04 -4.7497000000e-03 -3.8972000000e-03 -5.0273000000e-03  3.4678000000e-03  1.0212000000e-03  5.4458000000e-03 -6.4320000000e-04  2.4507000000e-03 -3.4367000000e-03 -1.3371000000e-03 -4.3328000000e-03 -5.1430000000e-04
-
-JOB 355
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5347800000e-01 -3.5544200000e-01  8.7540700000e-01  7.0477000000e-01 -5.3977500000e-01 -3.5801400000e-01 -7.6418800000e-01 -1.5560890000e+00  1.9751750000e+00 -1.6704750000e+00 -1.2725850000e+00  2.0955920000e+00 -3.9598700000e-01 -1.5645910000e+00  2.8586830000e+00
-ENERGY -1.526579820057e+02
-FORCES -2.8232000000e-03 -1.4028900000e-02  1.3434600000e-02  6.8200000000e-04  7.5829000000e-03 -4.3161000000e-03 -1.3400000000e-03  1.5475000000e-03  1.1312000000e-03 -1.2762000000e-03  3.8184000000e-03 -4.4956000000e-03  6.4614000000e-03 -2.5890000000e-04 -3.9800000000e-05 -1.7040000000e-03  1.3391000000e-03 -5.7142000000e-03
-
-JOB 356
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5755500000e-01  1.3399800000e-01  5.6955000000e-01  5.1587400000e-01 -6.7463700000e-01  4.4155500000e-01 -2.0348450000e+00  1.1207140000e+00  1.1463730000e+00 -1.8999540000e+00  1.6225120000e+00  1.9502600000e+00 -2.8697580000e+00  1.4383220000e+00  8.0245900000e-01
-ENERGY -1.526576272700e+02
-FORCES -1.2882900000e-02  6.1227000000e-03  6.2790000000e-03  6.8796000000e-03 -4.6526000000e-03 -7.9690000000e-04 -3.3827000000e-03  3.1350000000e-03  8.5160000000e-04  7.2995000000e-03 -2.1271000000e-03 -5.8555000000e-03 -1.6296000000e-03 -2.5708000000e-03 -3.8507000000e-03  3.7161000000e-03  9.2700000000e-05  3.3726000000e-03
-
-JOB 357
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0569200000e-01 -6.9254000000e-02  9.4882300000e-01  9.4074900000e-01 -1.0139500000e-01 -1.4471500000e-01 -8.0413000000e-01 -1.7114640000e+00 -2.1560940000e+00 -7.2499000000e-01 -1.2020750000e+00 -1.3495640000e+00 -1.4984290000e+00 -1.2741530000e+00 -2.6489840000e+00
-ENERGY -1.526620292577e+02
-FORCES  3.8876000000e-03 -5.4160000000e-04  2.2804000000e-03  1.2537000000e-03  3.7950000000e-04 -4.6088000000e-03 -5.3008000000e-03  1.4490000000e-04  1.5835000000e-03 -4.3600000000e-04  7.6429000000e-03  6.9498000000e-03 -1.4269000000e-03 -6.5180000000e-03 -8.0430000000e-03  2.0225000000e-03 -1.1076000000e-03  1.8380000000e-03
-
-JOB 358
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8864000000e-02 -4.7388900000e-01  8.2880600000e-01 -8.2241800000e-01 -1.8723300000e-01 -4.5255300000e-01  2.1369060000e+00 -5.3608500000e-01 -1.4252300000e+00  1.8976450000e+00 -1.4511880000e+00 -1.2783560000e+00  1.4336570000e+00 -3.4915000000e-02 -1.0123110000e+00
-ENERGY -1.526566772145e+02
-FORCES  7.5997000000e-03 -4.7143000000e-03 -3.9548000000e-03 -1.0989000000e-03  1.3120000000e-03 -4.9133000000e-03  4.7719000000e-03 -2.6580000000e-04  2.6557000000e-03 -1.6926400000e-02  1.2953000000e-03  1.1744300000e-02  1.3018000000e-03  7.8090000000e-04 -7.2260000000e-04  4.3518000000e-03  1.5919000000e-03 -4.8093000000e-03
-
-JOB 359
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4552300000e-01 -8.4686200000e-01 -2.3787000000e-02 -6.9137400000e-01  6.2919800000e-01  2.0577500000e-01 -6.0075100000e-01  2.4840760000e+00 -3.4117290000e+00 -1.4354540000e+00  2.6991050000e+00 -2.9954770000e+00 -8.1350700000e-01  1.7835440000e+00 -4.0283490000e+00
-ENERGY -1.526530422689e+02
-FORCES -4.2645000000e-03 -3.0920000000e-04  4.9170000000e-04  1.7431000000e-03  3.4831000000e-03 -1.0480000000e-04  2.3716000000e-03 -2.7989000000e-03 -5.9540000000e-04 -3.6505000000e-03 -2.5715000000e-03 -7.6720000000e-04  3.2470000000e-03 -8.9610000000e-04 -1.3188000000e-03  5.5340000000e-04  3.0926000000e-03  2.2945000000e-03
-
-JOB 360
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3946000000e-02  9.5564600000e-01 -7.8710000000e-03 -9.2408200000e-01 -1.8685100000e-01  1.6550100000e-01  1.6153770000e+00 -3.0420700000e-01  2.1098590000e+00  8.5816100000e-01 -2.2108300000e-01  1.5302510000e+00  1.5857650000e+00  4.8037000000e-01  2.6573940000e+00
-ENERGY -1.526568875507e+02
-FORCES  1.7999000000e-03  2.4997000000e-03  1.2458000000e-03 -3.2780000000e-04 -5.9908000000e-03  3.2790000000e-03  6.4670000000e-03  1.4918000000e-03  1.5942000000e-03 -1.0241000000e-02  1.5360000000e-03 -1.2302900000e-02  3.7367000000e-03  1.9721000000e-03  9.9877000000e-03 -1.4347000000e-03 -1.5088000000e-03 -3.8038000000e-03
-
-JOB 361
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1331800000e-01  7.8524100000e-01 -1.9008700000e-01  1.8178000000e-01 -1.8849900000e-01  9.2068300000e-01  2.6317640000e+00 -9.1049800000e-01 -1.1017050000e+00  2.6004680000e+00 -2.2032300000e-01 -4.3920100000e-01  2.3563900000e+00 -1.7011660000e+00 -6.3776000000e-01
-ENERGY -1.526505900109e+02
-FORCES  3.5314000000e-03  2.4063000000e-03 -1.7890000000e-04 -3.1930000000e-04 -3.6376000000e-03  2.3047000000e-03  1.1982000000e-03 -1.4140000000e-04 -4.8156000000e-03 -8.1438000000e-03 -8.8790000000e-04  5.8666000000e-03  3.8460000000e-04  2.4410000000e-04 -1.7779000000e-03  3.3489000000e-03  2.0166000000e-03 -1.3989000000e-03
-
-JOB 362
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8028400000e-01 -6.7390700000e-01  3.5405000000e-01 -6.4076200000e-01  1.5386600000e-01  6.9424900000e-01 -2.2709710000e+00 -2.2679400000e-01  1.9187790000e+00 -2.4045100000e+00  2.0295600000e-01  2.7635950000e+00 -2.3450380000e+00 -1.1616270000e+00  2.1107000000e+00
-ENERGY -1.526604497709e+02
-FORCES -5.3129000000e-03 -1.6414000000e-03  7.2848000000e-03 -2.0337000000e-03  1.6623000000e-03 -1.0582000000e-03  8.0181000000e-03  8.1800000000e-04 -5.8041000000e-03 -2.6242000000e-03 -3.0119000000e-03  3.6645000000e-03  1.0331000000e-03 -2.6267000000e-03 -4.0216000000e-03  9.1960000000e-04  4.7997000000e-03 -6.5400000000e-05
-
-JOB 363
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1767700000e-01  7.0725400000e-01 -4.9149700000e-01 -4.3837000000e-01 -5.2905900000e-01 -6.6645400000e-01  2.6210400000e+00 -6.1025200000e-01  6.1094000000e-02  3.1006290000e+00 -3.0188900000e-01  8.2994900000e-01  1.7198770000e+00 -3.2370500000e-01  2.0951200000e-01
-ENERGY -1.526574613994e+02
-FORCES  3.5768000000e-03 -3.3485000000e-03 -5.5795000000e-03  2.9703000000e-03 -7.3879000000e-03  5.7622000000e-03  1.9115000000e-03  3.8340000000e-03  3.0597000000e-03 -1.4026300000e-02  5.6640000000e-04  3.3230000000e-03 -3.5133000000e-03  1.1010000000e-04 -2.2362000000e-03  9.0810000000e-03  6.2258000000e-03 -4.3292000000e-03
-
-JOB 364
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5834700000e-01  3.7767700000e-01 -8.0323000000e-01 -6.8567400000e-01  1.3313500000e-01  6.5449100000e-01 -2.8264400000e-01 -2.8660400000e+00  1.0049200000e-01 -5.3169000000e-01 -3.3310210000e+00 -6.9825800000e-01 -1.4843900000e-01 -1.9609520000e+00 -1.8064200000e-01
-ENERGY -1.526606341091e+02
-FORCES -4.0272000000e-03  3.8042000000e-03  2.0095000000e-03  1.3413000000e-03 -3.8399000000e-03  3.8130000000e-03  3.4441000000e-03 -9.7470000000e-04 -4.5508000000e-03  2.1420000000e-03  8.7800000000e-03 -2.8836000000e-03  7.1290000000e-04  3.0792000000e-03  2.0429000000e-03 -3.6130000000e-03 -1.0848800000e-02 -4.3110000000e-04
-
-JOB 365
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1846600000e-01  1.0672600000e-01 -4.8472000000e-01  6.8567700000e-01  1.3944400000e-01 -6.5317200000e-01  7.8320000000e-01  2.1129860000e+00  1.8994050000e+00  1.4558000000e-01  1.7000380000e+00  1.3170410000e+00  4.5743900000e-01  3.0052190000e+00  2.0178550000e+00
-ENERGY -1.526589844593e+02
-FORCES  2.4601000000e-03 -1.9435000000e-03 -5.5964000000e-03  4.0809000000e-03  1.4844000000e-03  3.4364000000e-03 -4.4043000000e-03 -6.1650000000e-04  2.6082000000e-03 -4.1392000000e-03 -3.6602000000e-03 -3.8636000000e-03  1.6094000000e-03  8.5585000000e-03  5.0125000000e-03  3.9320000000e-04 -3.8226000000e-03 -1.5971000000e-03
-
-JOB 366
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7257900000e-01 -4.4084000000e-01 -3.5357200000e-01 -1.1863300000e-01 -3.2361000000e-02  9.4926900000e-01  1.5682200000e-01 -5.6723200000e-01  2.5706330000e+00 -3.9655000000e-02 -1.1101180000e+00  3.3341130000e+00  6.0747700000e-01  1.9727400000e-01  2.9293420000e+00
-ENERGY -1.526567742284e+02
-FORCES -2.0251000000e-03 -6.6910000000e-03  1.4490500000e-02  2.0102000000e-03  7.5520000000e-04  1.3564000000e-03  1.9690000000e-03  6.6780000000e-03 -3.7589000000e-03 -5.0790000000e-04 -1.2920000000e-04 -6.2346000000e-03  2.3144000000e-03  3.4082000000e-03 -2.6126000000e-03 -3.7607000000e-03 -4.0212000000e-03 -3.2409000000e-03
-
-JOB 367
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1646300000e-01 -1.1742900000e-01  8.5381600000e-01 -2.2315800000e-01  9.3026500000e-01 -3.2254000000e-02 -2.9840050000e+00  1.3507500000e-01 -9.2150000000e-01 -2.9429450000e+00 -8.0868800000e-01 -1.0759610000e+00 -2.8861970000e+00  2.2763100000e-01  2.6181000000e-02
-ENERGY -1.526549488471e+02
-FORCES  8.1240000000e-04  4.7216000000e-03  5.7150000000e-04 -3.1651000000e-03  2.0380000000e-04 -3.4900000000e-03  1.5967000000e-03 -4.0094000000e-03  2.0961000000e-03  4.7499000000e-03 -5.8205000000e-03  3.7380000000e-03 -2.3278000000e-03  3.3869000000e-03  1.3320000000e-04 -1.6662000000e-03  1.5176000000e-03 -3.0487000000e-03
-
-JOB 368
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4934300000e-01  3.9895300000e-01  1.8890300000e-01  5.9948300000e-01  4.0312100000e-01  6.2796900000e-01 -2.5111000000e+00  4.2525000000e-01 -1.5094760000e+00 -2.2223720000e+00 -3.7023000000e-01 -1.9567780000e+00 -3.2737100000e+00  7.1784400000e-01 -2.0085210000e+00
-ENERGY -1.526590872271e+02
-FORCES -3.5871000000e-03  4.1443000000e-03  1.3258000000e-03  6.7037000000e-03 -2.8177000000e-03  2.6231000000e-03 -2.7158000000e-03 -9.3300000000e-04 -2.2749000000e-03 -5.0490000000e-04 -2.5576000000e-03 -4.7422000000e-03 -3.2979000000e-03  3.6680000000e-03  1.5889000000e-03  3.4020000000e-03 -1.5040000000e-03  1.4793000000e-03
-
-JOB 369
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1631900000e-01 -9.4496000000e-02  9.4539500000e-01  1.9395200000e-01  9.2879900000e-01 -1.2628300000e-01  1.2245180000e+00  2.0506890000e+00 -1.5318850000e+00  1.2722200000e+00  1.6591420000e+00 -2.4040350000e+00  1.4738350000e+00  2.9651540000e+00 -1.6654020000e+00
-ENERGY -1.526600568652e+02
-FORCES  3.2910000000e-03  6.6985000000e-03 -1.1453000000e-03  8.5020000000e-04  1.5809000000e-03 -3.2332000000e-03 -4.4757000000e-03 -6.4164000000e-03  5.2034000000e-03  8.8020000000e-04 -1.3058000000e-03 -4.4509000000e-03  4.1790000000e-04  3.7039000000e-03  3.2662000000e-03 -9.6360000000e-04 -4.2610000000e-03  3.5980000000e-04
-
-JOB 370
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5360900000e-01 -7.6421200000e-01  3.5560000000e-01 -9.2286300000e-01 -2.5369400000e-01 -1.3985000000e-02  1.5428480000e+00  1.5752900000e-01 -2.1815270000e+00  1.3065880000e+00 -7.6398000000e-01 -2.2875170000e+00  1.0897820000e+00  4.3124000000e-01 -1.3840020000e+00
-ENERGY -1.526570681576e+02
-FORCES  1.8354000000e-03 -2.4803000000e-03 -6.1838000000e-03 -2.4939000000e-03  3.5398000000e-03 -3.7706000000e-03  5.0981000000e-03 -4.2680000000e-04  5.5000000000e-04 -1.2432800000e-02 -2.4986000000e-03  1.2719300000e-02  1.4130000000e-03  1.0881000000e-03  1.3910000000e-04  6.5803000000e-03  7.7790000000e-04 -3.4540000000e-03
-
-JOB 371
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7196600000e-01 -8.3964500000e-01  4.2621200000e-01  6.0186200000e-01 -2.1186700000e-01 -7.1351700000e-01  2.9963450000e+00 -1.1326040000e+00  7.5972800000e-01  3.3500920000e+00 -3.3550100000e-01  3.6511300000e-01  2.7333240000e+00 -8.6771300000e-01  1.6411390000e+00
-ENERGY -1.526563832575e+02
-FORCES  4.3289000000e-03 -6.7022000000e-03 -1.0626000000e-03 -9.1060000000e-04  3.7479000000e-03 -8.1100000000e-04 -3.1883000000e-03  2.7018000000e-03  1.3341000000e-03 -3.7940000000e-04  6.0897000000e-03  3.1316000000e-03 -1.4222000000e-03 -3.7160000000e-03  6.7380000000e-04  1.5716000000e-03 -2.1213000000e-03 -3.2659000000e-03
-
-JOB 372
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1628300000e-01  4.2996000000e-02  2.7351300000e-01  1.4052400000e-01 -9.1982500000e-01 -2.2451400000e-01 -5.8770000000e-03 -2.3905130000e+00  1.9780850000e+00  9.0398300000e-01 -2.2493470000e+00  2.2397320000e+00 -4.8769900000e-01 -1.6721850000e+00  2.3880670000e+00
-ENERGY -1.526566689206e+02
-FORCES -3.3371000000e-03 -7.6047000000e-03  1.2775000000e-03  3.2907000000e-03  6.9040000000e-04  3.0760000000e-04  4.0700000000e-04  5.5900000000e-03 -1.6642000000e-03  2.9819000000e-03  6.2617000000e-03  3.3163000000e-03 -3.7556000000e-03 -1.5296000000e-03 -1.2660000000e-03  4.1310000000e-04 -3.4078000000e-03 -1.9712000000e-03
-
-JOB 373
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5563100000e-01 -2.8661000000e-01 -7.2481700000e-01  5.7053300000e-01 -3.4228000000e-02  7.6782300000e-01  2.9920650000e+00  7.4915500000e-01 -9.3961200000e-01  3.3400760000e+00  1.3452000000e+00 -1.6028240000e+00  3.1207880000e+00  1.2106460000e+00 -1.1094500000e-01
-ENERGY -1.526570557538e+02
-FORCES  7.9946000000e-03 -6.4010000000e-04 -1.7754000000e-03 -5.6147000000e-03 -7.4380000000e-04  2.7091000000e-03 -2.4373000000e-03  7.4510000000e-04 -1.3166000000e-03  1.9245000000e-03  5.8795000000e-03  4.4240000000e-04 -1.3045000000e-03 -2.5203000000e-03  2.9679000000e-03 -5.6270000000e-04 -2.7203000000e-03 -3.0274000000e-03
-
-JOB 374
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0335900000e-01 -6.4029700000e-01  5.0287300000e-01  8.8810100000e-01 -6.3414000000e-02  3.5140800000e-01 -1.5011680000e+00 -1.6051800000e+00  1.6675160000e+00 -1.4994010000e+00 -2.2681040000e+00  9.7703800000e-01 -2.4118890000e+00 -1.3151350000e+00  1.7194060000e+00
-ENERGY -1.526586318703e+02
-FORCES -5.2951000000e-03 -6.7474000000e-03  1.1824100000e-02  3.9861000000e-03 -1.0240000000e-04 -1.0000100000e-02 -2.7946000000e-03 -5.3540000000e-04 -9.6050000000e-04 -3.4629000000e-03  1.7508000000e-03 -1.7852000000e-03  2.6935000000e-03  8.0096000000e-03  1.7757000000e-03  4.8730000000e-03 -2.3752000000e-03 -8.5390000000e-04
-
-JOB 375
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9234600000e-01  5.2152200000e-01 -1.2819900000e-01  2.8285900000e-01 -7.3721900000e-01  5.4104600000e-01 -1.4722120000e+00  1.3485050000e+00  1.8487560000e+00 -1.8070610000e+00  2.1503480000e+00  1.4473140000e+00 -8.3286100000e-01  1.0141050000e+00  1.2197590000e+00
-ENERGY -1.526589608327e+02
-FORCES  7.1550000000e-04 -1.9647000000e-03  3.0335000000e-03 -6.1898000000e-03 -1.1523000000e-03  3.0583000000e-03 -1.3849000000e-03  5.7403000000e-03 -2.3472000000e-03  6.3322000000e-03 -6.3473000000e-03 -1.2940400000e-02  2.1412000000e-03 -2.4080000000e-03  2.7600000000e-04 -1.6143000000e-03  6.1319000000e-03  8.9199000000e-03
-
-JOB 376
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5553000000e-01 -6.4632800000e-01 -2.6224400000e-01  8.3827900000e-01 -4.0323700000e-01 -2.2565600000e-01  9.3452500000e-01  2.6461830000e+00  4.3462500000e-01  4.8466100000e-01  2.7743010000e+00  1.2697540000e+00  7.6129700000e-01  1.7328830000e+00  2.0635500000e-01
-ENERGY -1.526589862741e+02
-FORCES -1.7499000000e-03 -1.1488000000e-03 -1.9200000000e-03  4.1136000000e-03  1.4376000000e-03  1.4641000000e-03 -4.2973000000e-03  4.5777000000e-03  1.1881000000e-03 -7.2223000000e-03 -9.0850000000e-03  1.2221000000e-03  1.5500000000e-03  6.2060000000e-04 -2.1622000000e-03  7.6058000000e-03  3.5978000000e-03  2.0780000000e-04
-
-JOB 377
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0257900000e-01  3.9121800000e-01  8.6755900000e-01 -1.9005400000e-01  7.4036300000e-01 -5.7617300000e-01  6.5582300000e-01 -1.4949740000e+00 -3.2337240000e+00  1.0332050000e+00 -7.0070000000e-01 -2.8556450000e+00 -2.9019900000e-01 -1.3721720000e+00 -3.1550160000e+00
-ENERGY -1.526540598969e+02
-FORCES -5.4760000000e-04  4.6496000000e-03  3.2192000000e-03 -5.2630000000e-04 -1.6398000000e-03 -3.8805000000e-03  1.3715000000e-03 -3.9823000000e-03  9.9930000000e-04 -2.2760000000e-03  2.9622000000e-03  4.4206000000e-03 -1.6385000000e-03 -2.0493000000e-03 -3.2571000000e-03  3.6169000000e-03  5.9500000000e-05 -1.5015000000e-03
-
-JOB 378
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2066900000e-01  1.8292000000e-01 -1.8746100000e-01 -3.8866100000e-01  8.6064900000e-01  1.5639000000e-01 -9.8762000000e-01 -2.7062890000e+00 -1.5999610000e+00 -2.3576800000e-01 -2.6877130000e+00 -1.0078420000e+00 -7.1947300000e-01 -2.1688360000e+00 -2.3452620000e+00
-ENERGY -1.526546077730e+02
-FORCES  3.6440000000e-04  5.3961000000e-03  7.7700000000e-04 -4.1152000000e-03 -2.1177000000e-03  4.6900000000e-05  2.1561000000e-03 -3.4727000000e-03 -7.8000000000e-04  4.2606000000e-03  6.1047000000e-03  1.9236000000e-03 -1.7241000000e-03 -2.8457000000e-03 -3.3589000000e-03 -9.4190000000e-04 -3.0647000000e-03  1.3914000000e-03
-
-JOB 379
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4265000000e-02 -2.3130100000e-01 -9.2724700000e-01  8.4844800000e-01  4.3393200000e-01  8.9842000000e-02 -7.0442100000e-01  4.5576000000e-02 -2.9790250000e+00 -8.2184100000e-01 -4.6481200000e-01 -3.7802420000e+00  1.9170800000e-01  3.7732100000e-01 -3.0349720000e+00
-ENERGY -1.526569089221e+02
-FORCES -3.9420000000e-04 -2.5200000000e-05 -5.8162000000e-03  5.6498000000e-03  2.0165000000e-03  6.6750000000e-03 -3.0733000000e-03 -1.4721000000e-03 -1.7460000000e-03  8.8640000000e-04 -1.6620000000e-04 -6.3533000000e-03  8.7180000000e-04  3.1415000000e-03  3.4644000000e-03 -3.9405000000e-03 -3.4945000000e-03  3.7760000000e-03
-
-JOB 380
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8137000000e-02 -4.9751400000e-01 -8.1298500000e-01 -9.3693700000e-01  1.8346900000e-01  6.8708000000e-02  1.7395810000e+00  1.9680640000e+00  9.0639900000e-01  1.2227540000e+00  1.4644360000e+00  2.7752600000e-01  2.6464480000e+00  1.8423210000e+00  6.2709000000e-01
-ENERGY -1.526590570376e+02
-FORCES -2.8264000000e-03 -2.0260000000e-04  6.0000000000e-04  1.9550000000e-04  3.4846000000e-03  4.0734000000e-03  4.9006000000e-03 -1.3216000000e-03 -1.2550000000e-03 -5.1885000000e-03 -9.2492000000e-03 -4.4042000000e-03  6.2118000000e-03  7.8139000000e-03  9.4730000000e-04 -3.2931000000e-03 -5.2520000000e-04  3.8500000000e-05
-
-JOB 381
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5663900000e-01 -2.5500000000e-03  3.2671000000e-02 -2.6802000000e-01 -4.8798900000e-01  7.7862900000e-01 -2.1862690000e+00  1.9417660000e+00  1.1741760000e+00 -2.8711170000e+00  1.3578370000e+00  8.4822700000e-01 -1.3835880000e+00  1.6249720000e+00  7.5995900000e-01
-ENERGY -1.526599937763e+02
-FORCES  4.9390000000e-03 -4.2523000000e-03  2.2438000000e-03 -4.5328000000e-03 -3.7600000000e-04  2.6070000000e-04  5.8140000000e-04  3.8253000000e-03 -4.0374000000e-03  2.8834000000e-03 -4.1319000000e-03 -6.0027000000e-03  2.1557000000e-03  1.5868000000e-03  2.0777000000e-03 -6.0267000000e-03  3.3481000000e-03  5.4579000000e-03
-
-JOB 382
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5728700000e-01  2.2587000000e-02  9.4391900000e-01  8.6088500000e-01  1.5060600000e-01 -3.9041800000e-01 -1.6566720000e+00  1.5873890000e+00 -1.6016700000e+00 -2.0541350000e+00  2.0941670000e+00 -8.9355200000e-01 -1.2248270000e+00  8.5601900000e-01 -1.1602630000e+00
-ENERGY -1.526600011103e+02
-FORCES  1.2260000000e-03  3.9844000000e-03  5.9680000000e-04  5.0790000000e-04  1.6860000000e-04 -4.4423000000e-03 -4.5457000000e-03 -8.9980000000e-04  2.4598000000e-03  5.3756000000e-03 -6.0400000000e-03  1.0655400000e-02  7.2440000000e-04 -8.6330000000e-04 -2.0416000000e-03 -3.2883000000e-03  3.6501000000e-03 -7.2282000000e-03
-
-JOB 383
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7581800000e-01  6.7384200000e-01  5.6650600000e-01 -9.1939000000e-01 -4.8360000000e-02  2.6194700000e-01  2.0086020000e+00 -1.9342920000e+00  1.4947970000e+00  1.2484180000e+00 -1.5530180000e+00  1.0554980000e+00  2.7522510000e+00 -1.4245370000e+00  1.1732890000e+00
-ENERGY -1.526598080767e+02
-FORCES -4.4656000000e-03  5.3739000000e-03  1.5817000000e-03 -9.5250000000e-04 -4.8430000000e-03 -2.4510000000e-03  4.8530000000e-03  7.8400000000e-05 -8.1170000000e-04 -2.6293000000e-03  4.4726000000e-03 -6.3980000000e-03  5.4915000000e-03 -3.8887000000e-03  6.1885000000e-03 -2.2970000000e-03 -1.1931000000e-03  1.8905000000e-03
-
-JOB 384
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3157700000e-01 -8.7218400000e-01  3.1921500000e-01 -8.7795100000e-01 -1.0401200000e-01 -3.6690000000e-01 -1.1778180000e+00  1.4875640000e+00  2.1663110000e+00 -1.1947550000e+00  1.8799830000e+00  1.2934120000e+00 -7.6522000000e-01  6.3351000000e-01  2.0375220000e+00
-ENERGY -1.526556891439e+02
-FORCES -2.7082000000e-03 -2.8624000000e-03 -7.0230000000e-04 -2.2492000000e-03  5.2316000000e-03  6.3760000000e-04  4.0682000000e-03  1.9600000000e-03  3.2680000000e-03  7.4480000000e-03 -4.3538000000e-03 -1.0462000000e-02 -3.3402000000e-03  7.0030000000e-04  2.3323000000e-03 -3.2186000000e-03 -6.7570000000e-04  4.9265000000e-03
-
-JOB 385
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2037600000e-01 -5.7047400000e-01  6.4348700000e-01  7.7085000000e-02 -5.4077000000e-01 -7.8603900000e-01  1.4931800000e-01 -1.8274740000e+00 -2.1045230000e+00 -5.9385400000e-01 -1.4970700000e+00 -2.6092600000e+00 -2.3012800000e-01 -2.4842080000e+00 -1.5206120000e+00
-ENERGY -1.526578784733e+02
-FORCES  1.8529000000e-03 -1.0190300000e-02 -9.3791000000e-03  1.0185000000e-03  4.5340000000e-04 -3.1433000000e-03 -4.8505000000e-03  5.6756000000e-03  7.8429000000e-03 -4.0010000000e-03 -1.9280000000e-03  3.7170000000e-04  4.3305000000e-03 -5.2680000000e-04  5.2504000000e-03  1.6495000000e-03  6.5160000000e-03 -9.4260000000e-04
-
-JOB 386
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5017100000e-01  4.3199100000e-01  8.2618000000e-02 -1.8260900000e-01  7.3150000000e-03 -9.3959200000e-01 -1.0672010000e+00 -5.5421200000e-01 -2.5713770000e+00 -1.7676300000e+00 -9.3369900000e-01 -3.1020570000e+00 -4.3476500000e-01 -2.2388700000e-01 -3.2094540000e+00
-ENERGY -1.526578697978e+02
-FORCES -2.6669000000e-03 -1.2831000000e-03 -7.4266000000e-03 -3.0377000000e-03 -1.5617000000e-03 -2.1447000000e-03  6.8213000000e-03  3.7622000000e-03  5.1216000000e-03 -2.9065000000e-03 -2.0028000000e-03 -1.3561000000e-03  4.0171000000e-03  1.9164000000e-03  4.9750000000e-04 -2.2272000000e-03 -8.3100000000e-04  5.3083000000e-03
-
-JOB 387
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2034000000e-01 -1.6121000000e-02 -8.5981800000e-01  9.1188000000e-01  2.2641800000e-01 -1.8286900000e-01 -1.9142140000e+00 -7.5444000000e-02 -1.9715860000e+00 -2.1360290000e+00 -3.3465200000e-01 -2.8659240000e+00 -2.4187130000e+00  7.2401200000e-01 -1.8213110000e+00
-ENERGY -1.526606349444e+02
-FORCES -5.2408000000e-03 -1.1095000000e-03 -9.0033000000e-03  6.7157000000e-03  2.5110000000e-03  7.2450000000e-03 -3.5058000000e-03 -7.3410000000e-04 -9.1910000000e-04 -1.0074000000e-03  1.2878000000e-03  5.3810000000e-04  2.0850000000e-04  2.1715000000e-03  4.2078000000e-03  2.8299000000e-03 -4.1267000000e-03 -2.0685000000e-03
-
-JOB 388
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6431500000e-01  4.0249800000e-01  7.8835400000e-01  1.8497400000e-01 -9.3382900000e-01  9.9903000000e-02  2.1513410000e+00 -1.9183640000e+00  1.9960400000e+00  1.9274810000e+00 -2.1687140000e+00  1.0996900000e+00  1.3071860000e+00 -1.8312110000e+00  2.4388020000e+00
-ENERGY -1.526527899861e+02
-FORCES  3.5157000000e-03 -1.0100000000e-03  3.9849000000e-03 -2.9972000000e-03 -1.8014000000e-03 -3.3339000000e-03  1.8000000000e-06  1.9131000000e-03  5.0100000000e-05 -2.9127000000e-03 -2.3438000000e-03 -1.0742000000e-03 -1.1891000000e-03  2.4279000000e-03  3.6758000000e-03  3.5815000000e-03  8.1420000000e-04 -3.3027000000e-03
-
-JOB 389
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0532400000e-01 -7.3616200000e-01  5.3016500000e-01 -5.4196200000e-01  7.3792600000e-01  2.7924000000e-01  2.6720910000e+00  5.1703900000e-01  1.7508800000e-01  3.4587700000e+00  7.3590000000e-03  3.6898200000e-01  1.9477490000e+00 -4.7876000000e-02  4.4422200000e-01
-ENERGY -1.526564208076e+02
-FORCES -1.5617000000e-03  4.6174000000e-03  1.0155000000e-03  5.1734000000e-03  3.8210000000e-03 -1.7269000000e-03  1.5701000000e-03 -4.5371000000e-03 -1.2270000000e-03 -9.0489000000e-03 -2.9005000000e-03 -8.3860000000e-04 -4.8361000000e-03  4.1520000000e-04 -4.5140000000e-04  8.7032000000e-03 -1.4160000000e-03  3.2284000000e-03
-
-JOB 390
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7260000000e-03  9.4267100000e-01  1.6604500000e-01 -9.2134700000e-01 -2.1163000000e-01 -1.5021700000e-01  3.6749990000e+00 -3.8666600000e-01 -9.2522800000e-01  3.1682110000e+00 -1.0477340000e+00 -4.5364900000e-01  3.7296190000e+00 -7.1995700000e-01 -1.8208640000e+00
-ENERGY -1.526556100802e+02
-FORCES -3.5383000000e-03  4.0919000000e-03  4.0200000000e-05 -8.9650000000e-04 -4.0470000000e-03 -4.3150000000e-04  3.8885000000e-03  7.6850000000e-04  4.7300000000e-04 -3.7631000000e-03 -4.0460000000e-03 -1.3660000000e-03  4.0598000000e-03  1.9612000000e-03 -1.9970000000e-03  2.4950000000e-04  1.2714000000e-03  3.2812000000e-03
-
-JOB 391
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8125900000e-01 -1.1478000000e-02 -5.5293200000e-01 -5.7497000000e-02  8.2642100000e-01  4.7953500000e-01 -1.7208800000e+00 -8.2968200000e-01 -2.3668980000e+00 -2.6623900000e+00 -6.5865200000e-01 -2.3900920000e+00 -1.5208960000e+00 -1.1891300000e+00 -3.2312100000e+00
-ENERGY -1.526589103783e+02
-FORCES -4.3062000000e-03  8.1140000000e-04 -4.2457000000e-03  3.2556000000e-03  3.2844000000e-03  7.9680000000e-03 -5.1190000000e-04 -2.9043000000e-03 -2.1973000000e-03 -5.7920000000e-04 -2.6007000000e-03 -5.5312000000e-03  4.7032000000e-03 -3.1100000000e-05  8.4710000000e-04 -2.5615000000e-03  1.4404000000e-03  3.1591000000e-03
-
-JOB 392
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0682700000e-01 -5.3884500000e-01  6.0745800000e-01  2.6380000000e-02 -4.8121000000e-01 -8.2702700000e-01 -1.3464200000e+00  1.1181210000e+00  3.2546530000e+00 -1.5855600000e+00  3.2027400000e-01  3.7263340000e+00 -1.7722830000e+00  1.0295960000e+00  2.4019880000e+00
-ENERGY -1.526560574560e+02
-FORCES  3.7160000000e-03 -3.8938000000e-03 -1.1036000000e-03 -2.6124000000e-03  1.5202000000e-03 -3.2015000000e-03 -1.8330000000e-04  1.9315000000e-03  3.6477000000e-03 -2.9198000000e-03 -2.9517000000e-03 -3.0238000000e-03  1.3705000000e-03  2.8736000000e-03 -1.8301000000e-03  6.2900000000e-04  5.2020000000e-04  5.5113000000e-03
-
-JOB 393
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3483900000e-01  1.3869000000e-01  1.5189600000e-01  4.0172000000e-02 -4.7892500000e-01 -8.2779800000e-01  6.7371100000e-01  2.4315290000e+00 -1.2155120000e+00  1.2064000000e-02  2.9089940000e+00 -7.1503100000e-01  5.8109700000e-01  1.5226520000e+00 -9.2986000000e-01
-ENERGY -1.526577508024e+02
-FORCES -4.4304000000e-03  6.9300000000e-05 -1.7957000000e-03  5.2727000000e-03  3.8110000000e-04 -1.3812000000e-03  8.6230000000e-04  6.7504000000e-03  3.6726000000e-03 -4.2873000000e-03 -1.0422700000e-02  1.0100300000e-02  1.1206000000e-03 -1.0797000000e-03 -1.8491000000e-03  1.4620000000e-03  4.3015000000e-03 -8.7469000000e-03
-
-JOB 394
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6537900000e-01 -3.8570400000e-01  1.3632100000e-01 -1.5694900000e-01  9.4419300000e-01 -9.9590000000e-03 -1.4510000000e-01  2.5985990000e+00 -6.0546000000e-01 -9.1703600000e-01  2.2916170000e+00 -1.0809690000e+00 -4.8897700000e-01  2.9214420000e+00  2.2745800000e-01
-ENERGY -1.526534739063e+02
-FORCES  4.5120000000e-04  1.5421200000e-02 -2.7156000000e-03  2.1140000000e-03  4.6852000000e-03 -1.5456000000e-03 -7.1067000000e-03 -7.2405000000e-03  2.7748000000e-03 -2.6019000000e-03 -3.0669000000e-03 -1.0144000000e-03  5.0325000000e-03 -2.5585000000e-03  6.6636000000e-03  2.1109000000e-03 -7.2405000000e-03 -4.1627000000e-03
-
-JOB 395
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9040600000e-01 -3.7896800000e-01 -7.8752700000e-01 -6.0922900000e-01 -2.2647800000e-01  7.0269400000e-01  2.7231840000e+00  2.3368900000e-01 -4.6096100000e-01  1.8052910000e+00  2.6487500000e-01 -1.9127200000e-01  2.8260120000e+00  9.8172700000e-01 -1.0492620000e+00
-ENERGY -1.526610937695e+02
-FORCES  1.2284000000e-03 -2.6802000000e-03 -3.5340000000e-04  9.6520000000e-04  2.1859000000e-03  4.4090000000e-03  1.5929000000e-03  4.3400000000e-04 -4.5118000000e-03 -1.1454200000e-02  1.3447000000e-03  2.2904000000e-03  8.9880000000e-03  1.2106000000e-03 -3.1583000000e-03 -1.3204000000e-03 -2.4951000000e-03  1.3241000000e-03
-
-JOB 396
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7037300000e-01  3.1722400000e-01 -2.4093900000e-01 -3.7331300000e-01  7.0346300000e-01  5.3104600000e-01 -1.1241870000e+00  1.6611290000e+00  1.7524970000e+00 -2.0425370000e+00  1.4548650000e+00  1.9266220000e+00 -1.1325260000e+00  2.5768980000e+00  1.4740550000e+00
-ENERGY -1.526592091965e+02
-FORCES -5.4661000000e-03  1.0733000000e-02  1.2017400000e-02 -3.1083000000e-03  9.6820000000e-04  1.5120000000e-03  4.3390000000e-03 -4.3199000000e-03 -8.5870000000e-03 -1.2366000000e-03 -3.8523000000e-03 -3.8857000000e-03  4.9331000000e-03  2.4236000000e-03 -1.2062000000e-03  5.3890000000e-04 -5.9525000000e-03  1.4950000000e-04
-
-JOB 397
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3464100000e-01  4.6852100000e-01 -9.7650000000e-03  1.6729300000e-01 -7.9874800000e-01 -5.0024600000e-01  1.5807480000e+00 -1.8476290000e+00 -1.6580860000e+00  2.0339760000e+00 -1.2638540000e+00 -2.2663810000e+00  1.0605250000e+00 -2.4223460000e+00 -2.2196030000e+00
-ENERGY -1.526591013012e+02
-FORCES  8.9530000000e-03 -6.2596000000e-03 -5.1026000000e-03 -2.6831000000e-03  4.7600000000e-04  1.5520000000e-04 -6.8085000000e-03  3.7897000000e-03  3.2339000000e-03  1.2763000000e-03  7.9760000000e-04 -5.0719000000e-03 -2.2921000000e-03 -2.6765000000e-03  3.2994000000e-03  1.5543000000e-03  3.8728000000e-03  3.4859000000e-03
-
-JOB 398
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7141400000e-01 -2.2979000000e-01 -6.4236400000e-01 -7.2968500000e-01  3.3119000000e-01 -5.2355000000e-01 -1.0949650000e+00  1.0982320000e+00  2.1752280000e+00 -5.5743100000e-01  1.2096960000e+00  2.9593600000e+00 -5.5948200000e-01  5.6077900000e-01  1.5915900000e+00
-ENERGY -1.526598498434e+02
-FORCES -2.0179000000e-03  3.8007000000e-03  2.4968000000e-03 -4.1230000000e-03  1.6169000000e-03  1.2329000000e-03  4.7293000000e-03 -2.4493000000e-03  2.5330000000e-03  8.2971000000e-03 -5.4506000000e-03 -7.7024000000e-03 -4.8250000000e-04 -9.6580000000e-04 -2.9102000000e-03 -6.4030000000e-03  3.4481000000e-03  4.3498000000e-03
-
-JOB 399
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7547600000e-01  2.0589500000e-01  5.2199200000e-01 -7.8825000000e-02 -9.5249000000e-01  5.2730000000e-02 -1.6871100000e-01 -3.6809600000e-01 -2.7589490000e+00 -3.4085600000e-01  5.0961500000e-01 -3.0998610000e+00 -6.1780000000e-02 -2.4261500000e-01 -1.8160530000e+00
-ENERGY -1.526598567746e+02
-FORCES  3.0438000000e-03 -1.9310000000e-03  7.5700000000e-04 -4.2801000000e-03 -1.6852000000e-03 -2.0551000000e-03  1.5450000000e-03  6.4839000000e-03 -4.1398000000e-03  4.4320000000e-04  6.7062000000e-03  1.1671000000e-02  8.2390000000e-04 -2.3114000000e-03  7.6900000000e-04 -1.5759000000e-03 -7.2625000000e-03 -7.0021000000e-03
-
-JOB 400
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4629800000e-01  6.7047700000e-01 -6.3720500000e-01 -9.1647100000e-01  1.8715500000e-01  2.0319000000e-01  7.1141500000e-01  2.3442500000e+00 -9.1591200000e-01  5.8114300000e-01  2.8036810000e+00 -1.7454810000e+00  3.1171300000e-01  2.9153650000e+00 -2.5994100000e-01
-ENERGY -1.526570244128e+02
-FORCES  2.9608000000e-03  1.6388400000e-02 -7.5993000000e-03 -2.4974000000e-03 -7.4747000000e-03  1.3837000000e-03  2.7230000000e-03  7.9470000000e-04 -1.0620000000e-04 -3.7003000000e-03 -4.5579000000e-03  6.3458000000e-03 -5.8680000000e-04 -3.1836000000e-03  4.9201000000e-03  1.1007000000e-03 -1.9670000000e-03 -4.9441000000e-03
-
-JOB 401
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5459800000e-01 -2.5650000000e-03  7.0481000000e-02  2.4576500000e-01 -9.2442100000e-01  3.5752000000e-02 -2.7332890000e+00  4.1078900000e-01  1.6671900000e-01 -3.1716610000e+00  6.9872100000e-01 -6.3400400000e-01 -3.4471070000e+00  2.0007300000e-01  7.6862800000e-01
-ENERGY -1.526610873506e+02
-FORCES -1.1290300000e-02 -5.0150000000e-04  1.4171000000e-03  9.4734000000e-03 -1.7634000000e-03 -1.9638000000e-03 -1.8560000000e-03  2.5765000000e-03  1.6670000000e-04  4.5790000000e-04  2.1300000000e-04 -2.3910000000e-04  1.0269000000e-03 -1.8408000000e-03  4.6231000000e-03  2.1881000000e-03  1.3162000000e-03 -4.0041000000e-03
-
-JOB 402
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2320100000e-01 -6.5936000000e-01 -6.8286000000e-01 -9.1463500000e-01 -9.7022000000e-02  2.6506800000e-01  9.8312300000e-01 -2.1393760000e+00  1.4297000000e+00  6.2244300000e-01 -1.3377030000e+00  1.0509360000e+00  8.5587700000e-01 -2.0375300000e+00  2.3729220000e+00
-ENERGY -1.526586418130e+02
-FORCES -2.6025000000e-03 -3.7047000000e-03 -2.9740000000e-03  2.3210000000e-04  2.0925000000e-03  8.0205000000e-03  6.5747000000e-03 -1.2507000000e-03  6.6900000000e-04 -3.4522000000e-03  1.3240600000e-02 -3.3408000000e-03  1.4400000000e-05 -1.1141100000e-02  9.1410000000e-04 -7.6650000000e-04  7.6330000000e-04 -3.2886000000e-03
-
-JOB 403
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4766700000e-01 -5.1839500000e-01  2.9747700000e-01  3.6545600000e-01  5.9399000000e-01 -6.5562900000e-01  2.8731320000e+00  4.0342600000e-01 -1.6882380000e+00  2.5453840000e+00  1.2997510000e+00 -1.7618170000e+00  2.6419820000e+00 -5.8330000000e-03 -2.5220890000e+00
-ENERGY -1.526562051315e+02
-FORCES  7.9238000000e-03 -5.1380000000e-04 -2.1069000000e-03 -4.7544000000e-03  1.0479000000e-03  5.2650000000e-04 -3.3162000000e-03  3.0420000000e-04  1.3536000000e-03  4.0220000000e-04  1.9567000000e-03 -5.3797000000e-03 -8.0250000000e-04 -4.9768000000e-03  1.3383000000e-03  5.4710000000e-04  2.1817000000e-03  4.2682000000e-03
-
-JOB 404
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3521800000e-01  5.6521100000e-01  2.3711500000e-01 -7.4892600000e-01  5.9305100000e-01 -6.0271000000e-02  2.5258230000e+00  1.3059210000e+00  9.4925000000e-02  3.1350030000e+00  1.7860140000e+00  6.5585500000e-01  1.9553070000e+00  1.9808930000e+00 -2.7271100000e-01
-ENERGY -1.526560939097e+02
-FORCES  6.5063000000e-03  3.1781000000e-03  2.4843000000e-03 -8.6790000000e-03  2.4004000000e-03 -4.1294000000e-03  4.4501000000e-03 -6.0330000000e-04 -7.8100000000e-05  2.1466000000e-03  3.4868000000e-03  2.3130000000e-04 -3.0972000000e-03 -1.7804000000e-03 -3.6595000000e-03 -1.3267000000e-03 -6.6816000000e-03  5.1514000000e-03
-
-JOB 405
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0663500000e-01  7.4203200000e-01 -5.9518800000e-01 -5.5631200000e-01  2.1174300000e-01  7.4960900000e-01  4.4432800000e-01 -3.9483810000e+00 -4.9273500000e-01  3.4546300000e-01 -3.7502240000e+00 -1.4239660000e+00  1.3601900000e+00 -4.2103910000e+00 -3.9904200000e-01
-ENERGY -1.526535134168e+02
-FORCES -3.1404000000e-03  3.3582000000e-03  1.4269000000e-03  6.0180000000e-04 -3.3342000000e-03  2.1447000000e-03  2.3831000000e-03 -3.2480000000e-04 -3.1577000000e-03  3.4666000000e-03  1.5261000000e-03 -3.3842000000e-03  3.3500000000e-04 -1.7837000000e-03  3.3182000000e-03 -3.6461000000e-03  5.5840000000e-04 -3.4780000000e-04
-
-JOB 406
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1441600000e-01 -6.0636000000e-01  5.3285700000e-01 -2.0000000000e-02 -3.7712100000e-01 -8.7955200000e-01  6.1099500000e-01  2.7726550000e+00 -1.0740800000e-01  2.6633400000e-01  1.8952610000e+00  5.8786000000e-02  2.0737200000e-01  3.0363940000e+00 -9.3430700000e-01
-ENERGY -1.526605629938e+02
-FORCES -5.5490000000e-04 -1.8218000000e-03 -1.3249000000e-03  2.4963000000e-03  2.1867000000e-03 -3.5380000000e-03 -9.4020000000e-04  1.6145000000e-03  4.4989000000e-03 -3.9998000000e-03 -1.0006200000e-02 -7.7790000000e-04  1.6662000000e-03  9.4972000000e-03 -8.7010000000e-04  1.3324000000e-03 -1.4704000000e-03  2.0120000000e-03
-
-JOB 407
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1353300000e-01  6.6936300000e-01 -5.4513800000e-01 -1.6180000000e-03  3.7355600000e-01  8.8129800000e-01 -5.9729200000e-01  2.1636620000e+00  1.5378160000e+00 -1.2904320000e+00  2.5451400000e+00  9.9905400000e-01 -1.0615110000e+00  1.6374120000e+00  2.1888110000e+00
-ENERGY -1.526529335889e+02
-FORCES -2.3750000000e-03  1.6464200000e-02  6.8870000000e-03 -8.1180000000e-04 -2.2699000000e-03 -1.3186000000e-03 -1.3221000000e-03 -6.7531000000e-03  3.2292000000e-03 -4.1044000000e-03 -4.0344000000e-03 -4.6868000000e-03  3.7573000000e-03 -2.7179000000e-03  1.5501000000e-03  4.8559000000e-03 -6.8880000000e-04 -5.6610000000e-03
-
-JOB 408
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1869200000e-01 -1.9590100000e-01 -1.8400900000e-01 -1.3747000000e-02  8.7695500000e-01  3.8339700000e-01  9.0318600000e-01  1.7277000000e+00  3.3637340000e+00  8.6983200000e-01  2.0222150000e+00  2.4535800000e+00  1.5594000000e-01  2.1554510000e+00  3.7819250000e+00
-ENERGY -1.526518167047e+02
-FORCES -4.3465000000e-03  1.8977000000e-03  1.3153000000e-03  3.9680000000e-03  8.9130000000e-04  5.9360000000e-04  9.3020000000e-04 -2.0607000000e-03 -9.9990000000e-04 -2.4972000000e-03  2.8520000000e-03 -1.2068000000e-03 -1.1867000000e-03 -1.6126000000e-03  2.4312000000e-03  3.1323000000e-03 -1.9677000000e-03 -2.1333000000e-03
-
-JOB 409
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4922700000e-01 -3.9372500000e-01  4.4706900000e-01  5.7565600000e-01 -7.3832200000e-01 -1.9933100000e-01 -1.9810520000e+00 -1.7430450000e+00  8.1988300000e-01 -2.7295750000e+00 -1.9606100000e+00  2.6435600000e-01 -2.3140560000e+00 -1.0768850000e+00  1.4211910000e+00
-ENERGY -1.526566177394e+02
-FORCES -7.7610000000e-03 -1.3531600000e-02  2.1161000000e-03  5.7270000000e-04  8.1938000000e-03  4.3174000000e-03 -2.0560000000e-04  2.9147000000e-03 -2.7910000000e-04 -1.9591000000e-03  2.2663000000e-03 -3.4974000000e-03  3.3346000000e-03  8.7260000000e-04  3.7486000000e-03  6.0185000000e-03 -7.1580000000e-04 -6.4056000000e-03
-
-JOB 410
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0148400000e-01 -1.9403000000e-02  7.4436100000e-01  3.3728000000e-02 -9.0668400000e-01 -3.0498800000e-01 -1.6825790000e+00  5.8797200000e-01  2.0010660000e+00 -1.8237300000e+00 -2.0519200000e-01  2.5179790000e+00 -1.6385390000e+00  1.2916630000e+00  2.6484530000e+00
-ENERGY -1.526576382239e+02
-FORCES -8.8966000000e-03  3.5901000000e-03  9.6193000000e-03  4.5669000000e-03 -7.4959000000e-03 -5.3681000000e-03 -1.8303000000e-03  2.5448000000e-03  3.2928000000e-03  5.0412000000e-03  2.4609000000e-03 -9.7010000000e-04  2.9103000000e-03  3.4075000000e-03 -4.7804000000e-03 -1.7915000000e-03 -4.5075000000e-03 -1.7935000000e-03
-
-JOB 411
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3731900000e-01  4.4571400000e-01  1.2832300000e-01 -6.0850900000e-01  4.6166600000e-01  5.7690000000e-01 -1.9613800000e-01  2.8076760000e+00 -1.3484400000e+00  3.7964300000e-01  3.5135790000e+00 -1.6423950000e+00  2.7876900000e-01  2.0050720000e+00 -1.5641280000e+00
-ENERGY -1.526567577316e+02
-FORCES -1.1477000000e-03  5.0824000000e-03  5.2133000000e-03 -3.0059000000e-03 -1.4436000000e-03 -3.3864000000e-03  2.8482000000e-03 -3.6755000000e-03 -1.6780000000e-03  2.3652000000e-03 -2.3605000000e-03 -3.2575000000e-03 -1.7960000000e-03 -3.7359000000e-03  1.7356000000e-03  7.3620000000e-04  6.1332000000e-03  1.3731000000e-03
-
-JOB 412
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5933400000e-01  5.4509900000e-01  6.3883600000e-01  2.3516100000e-01 -8.9713200000e-01  2.3682500000e-01 -1.6058400000e-01  2.2700460000e+00 -2.0269720000e+00 -2.2973000000e-02  2.2994460000e+00 -2.9737720000e+00  1.4674200000e-01  1.4017070000e+00 -1.7666450000e+00
-ENERGY -1.526595799499e+02
-FORCES  1.4171000000e-03 -1.9072000000e-03  5.7990000000e-03 -1.4751000000e-03 -3.3235000000e-03 -3.7058000000e-03 -9.4110000000e-04  4.2006000000e-03 -6.8500000000e-04  6.0560000000e-04 -6.0634000000e-03 -1.5420000000e-04 -3.9640000000e-04 -7.9600000000e-04  3.4574000000e-03  7.8990000000e-04  7.8897000000e-03 -4.7113000000e-03
-
-JOB 413
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9158500000e-01  3.8006900000e-01  3.8101500000e-01 -5.0444000000e-02  3.7995100000e-01 -8.7711100000e-01 -1.0235040000e+00 -2.1294210000e+00 -2.9504440000e+00 -1.2845180000e+00 -1.7110350000e+00 -3.7708440000e+00 -1.6337800000e-01 -1.7578550000e+00 -2.7546020000e+00
-ENERGY -1.526533516664e+02
-FORCES  2.0032000000e-03  3.7756000000e-03 -1.1192000000e-03 -3.3878000000e-03 -1.8680000000e-03 -1.8866000000e-03  1.3922000000e-03 -2.1568000000e-03  3.0510000000e-03  2.5968000000e-03  1.9590000000e-03 -1.9309000000e-03  1.1999000000e-03 -1.2859000000e-03  3.7812000000e-03 -3.8043000000e-03 -4.2380000000e-04 -1.8955000000e-03
-
-JOB 414
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5468100000e-01  1.9767000000e-02 -6.6518000000e-02  2.9334700000e-01 -3.2186800000e-01 -8.5239700000e-01  6.3047900000e-01 -1.1299570000e+00 -2.4094870000e+00  8.7505400000e-01 -4.2406200000e-01 -3.0079240000e+00 -3.1142500000e-01 -1.2396370000e+00 -2.5399480000e+00
-ENERGY -1.526572976493e+02
-FORCES  3.3877000000e-03 -6.9436000000e-03 -1.3263600000e-02  3.0420000000e-03 -9.9290000000e-04 -1.9054000000e-03 -6.3318000000e-03  5.7269000000e-03  6.8687000000e-03 -2.7710000000e-03  2.0389000000e-03 -9.4560000000e-04 -2.3918000000e-03 -3.2828000000e-03  4.9246000000e-03  5.0649000000e-03  3.4534000000e-03  4.3214000000e-03
-
-JOB 415
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1815300000e-01  8.0148100000e-01  7.3330000000e-02 -8.8201600000e-01  2.5921000000e-01  2.6662600000e-01  4.5950000000e-01  2.5162740000e+00  1.0831830000e+00  1.1839760000e+00  2.6623490000e+00  4.7488400000e-01  8.8040000000e-01  2.4073390000e+00  1.9359480000e+00
-ENERGY -1.526549421045e+02
-FORCES -2.5036000000e-03  1.4268500000e-02  7.3983000000e-03  5.7725000000e-03 -1.9259000000e-03 -5.0235000000e-03  9.9630000000e-04 -3.5945000000e-03 -1.3838000000e-03  2.7177000000e-03 -2.7555000000e-03  2.0335000000e-03 -5.0130000000e-03 -6.5720000000e-03  1.8117000000e-03 -1.9699000000e-03  5.7940000000e-04 -4.8362000000e-03
-
-JOB 416
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6189900000e-01  2.7904900000e-01 -5.0781200000e-01  2.1696700000e-01  7.5769000000e-01  5.4319700000e-01  1.4334210000e+00  1.8970520000e+00  1.4111610000e+00  1.1098850000e+00  2.0221320000e+00  2.3032990000e+00  2.0893480000e+00  1.2042440000e+00  1.4886790000e+00
-ENERGY -1.526606773794e+02
-FORCES  3.9759000000e-03  1.0627900000e-02  4.2866000000e-03  2.4622000000e-03  4.7350000000e-04  2.5265000000e-03 -5.1757000000e-03 -9.2192000000e-03 -3.1792000000e-03  3.6202000000e-03 -3.6296000000e-03  1.7470000000e-03  3.1740000000e-04 -1.9666000000e-03 -5.5028000000e-03 -5.2001000000e-03  3.7140000000e-03  1.2190000000e-04
-
-JOB 417
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2419000000e-01  2.5110600000e-01  8.9605600000e-01 -3.2981900000e-01  7.1813100000e-01 -5.4012800000e-01 -9.4524000000e-02  1.6114480000e+00 -2.0577540000e+00  1.3149700000e-01  2.4875290000e+00 -1.7452970000e+00  5.4919400000e-01  1.4271240000e+00 -2.7417750000e+00
-ENERGY -1.526565523054e+02
-FORCES -1.3748000000e-03  8.4105000000e-03 -1.2508900000e-02  5.7260000000e-04  2.2716000000e-03 -4.7409000000e-03 -1.2041000000e-03 -1.2543000000e-03  9.6742000000e-03  6.6712000000e-03 -7.2578000000e-03  4.8641000000e-03 -1.5636000000e-03 -5.5536000000e-03  5.6510000000e-04 -3.1012000000e-03  3.3835000000e-03  2.1464000000e-03
-
-JOB 418
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0067300000e-01 -5.9854600000e-01 -7.1951700000e-01  5.3493500000e-01 -3.1349400000e-01  7.2924400000e-01  1.5391750000e+00  1.7742440000e+00 -6.8367600000e-01  7.9543800000e-01  1.1976670000e+00 -5.0861900000e-01  1.3322990000e+00  2.1845720000e+00 -1.5233580000e+00
-ENERGY -1.526519057440e+02
-FORCES  1.9513900000e-02  1.5396100000e-02 -5.4771000000e-03  3.0450000000e-04  6.4543000000e-03  3.1057000000e-03 -2.8254000000e-03  1.8665000000e-03 -5.4086000000e-03 -2.2189400000e-02 -2.1307100000e-02  1.0399100000e-02  7.7376000000e-03  2.3198000000e-03 -4.8061000000e-03 -2.5412000000e-03 -4.7296000000e-03  2.1870000000e-03
-
-JOB 419
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5807400000e-01 -3.6218700000e-01 -8.4761400000e-01  9.0689200000e-01  2.7972400000e-01 -1.2463400000e-01  2.5787730000e+00  9.1755200000e-01  3.5069800000e-01  3.1968050000e+00  7.0410200000e-01  1.0497750000e+00  2.7202700000e+00  1.8489750000e+00  1.8140000000e-01
-ENERGY -1.526607067665e+02
-FORCES  1.0482000000e-02  2.3288000000e-03  2.8140000000e-04  2.3929000000e-03  1.7593000000e-03  2.3503000000e-03 -9.3010000000e-03 -1.9141000000e-03 -3.7697000000e-03 -1.7648000000e-03 -2.7430000000e-04  3.6954000000e-03 -1.5003000000e-03  2.8318000000e-03 -3.5016000000e-03 -3.0880000000e-04 -4.7315000000e-03  9.4410000000e-04
-
-JOB 420
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2576200000e-01 -7.7718200000e-01  4.5398200000e-01  4.9947700000e-01  7.2470800000e-01  3.7623400000e-01  2.8050990000e+00  8.2862000000e-01  1.7022420000e+00  3.4992110000e+00  1.0584510000e+00  1.0844900000e+00  2.5709510000e+00  1.6576800000e+00  2.1194550000e+00
-ENERGY -1.526579359600e+02
-FORCES  6.5029000000e-03 -4.5800000000e-04  5.2060000000e-03 -2.8946000000e-03  1.5775000000e-03 -2.5503000000e-03 -4.9279000000e-03 -4.6410000000e-04 -2.9098000000e-03  4.9624000000e-03  4.0046000000e-03  3.4540000000e-04 -3.5012000000e-03 -7.3730000000e-04  2.9440000000e-03 -1.4170000000e-04 -3.9228000000e-03 -3.0353000000e-03
-
-JOB 421
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.9134000000e-02  7.6627500000e-01  5.6500100000e-01 -5.0249800000e-01 -6.8731100000e-01  4.3741400000e-01 -1.2438830000e+00  7.5367200000e-01 -2.2735110000e+00 -9.3082100000e-01  4.0730800000e-01 -1.4378940000e+00 -2.1967680000e+00  7.7073200000e-01 -2.1843490000e+00
-ENERGY -1.526588948115e+02
-FORCES -1.7096000000e-03  2.3244000000e-03  1.9910000000e-04 -1.1271000000e-03 -4.8514000000e-03 -3.7082000000e-03  8.5340000000e-04  5.1661000000e-03 -3.9299000000e-03  6.5893000000e-03 -5.0850000000e-03  1.3028400000e-02 -8.1167000000e-03  3.2213000000e-03 -7.6276000000e-03  3.5107000000e-03 -7.7550000000e-04  2.0382000000e-03
-
-JOB 422
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0854800000e-01  3.9780600000e-01 -8.4527500000e-01  8.9971300000e-01  2.7361800000e-01  1.7855700000e-01 -2.1593110000e+00 -1.0067120000e+00  1.2209970000e+00 -1.3848460000e+00 -6.9572300000e-01  7.5225100000e-01 -2.2156790000e+00 -4.4255700000e-01  1.9922190000e+00
-ENERGY -1.526594625183e+02
-FORCES -3.9840000000e-03 -2.0008000000e-03  3.6608000000e-03  1.8476000000e-03 -1.8507000000e-03  4.8012000000e-03 -4.2674000000e-03  2.1670000000e-04 -2.6881000000e-03  1.3439700000e-02  7.3059000000e-03 -4.2026000000e-03 -7.4610000000e-03 -2.2855000000e-03  2.2190000000e-04  4.2520000000e-04 -1.3856000000e-03 -1.7932000000e-03
-
-JOB 423
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8761100000e-01  8.8902200000e-01 -2.0773100000e-01 -5.5064600000e-01 -5.6354000000e-01 -5.4354800000e-01  1.8124970000e+00 -1.4032160000e+00 -1.5199060000e+00  1.0615380000e+00 -8.5537500000e-01 -1.2915130000e+00  1.9896420000e+00 -1.1970760000e+00 -2.4377070000e+00
-ENERGY -1.526535474878e+02
-FORCES -1.7548000000e-03  7.0260000000e-04 -8.0400000000e-04  1.8896000000e-03 -5.2460000000e-03  1.6740000000e-04  1.0409100000e-02  3.0274000000e-03 -1.7920000000e-03 -4.7321000000e-03  8.0983000000e-03  5.2589000000e-03 -3.6699000000e-03 -7.2597000000e-03 -6.7510000000e-03 -2.1419000000e-03  6.7740000000e-04  3.9206000000e-03
-
-JOB 424
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0133600000e-01  5.7973400000e-01  2.9709900000e-01  8.0601500000e-01  4.4257200000e-01  2.6589800000e-01 -1.6510970000e+00  1.4536590000e+00  1.3366220000e+00 -2.1912250000e+00  9.2825800000e-01  1.9269160000e+00 -9.8804200000e-01  1.8468030000e+00  1.9040960000e+00
-ENERGY -1.526552634930e+02
-FORCES -1.4565100000e-02  1.4214100000e-02  1.1447000000e-02  6.7134000000e-03 -3.7558000000e-03 -3.5211000000e-03 -3.1055000000e-03 -3.5700000000e-05  9.8760000000e-04  9.7407000000e-03 -1.0597700000e-02 -2.3513000000e-03  3.4471000000e-03  3.4686000000e-03 -2.4574000000e-03 -2.2306000000e-03 -3.2935000000e-03 -4.1047000000e-03
-
-JOB 425
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4693900000e-01 -7.8277700000e-01  3.2208200000e-01  4.3387700000e-01  7.2577100000e-01  4.4859600000e-01 -2.6334850000e+00 -1.1741200000e-01  3.8539900000e-01 -3.0020710000e+00  9.8596000000e-02 -4.7117400000e-01 -1.6883340000e+00 -1.6827000000e-02  2.7224300000e-01
-ENERGY -1.526604301186e+02
-FORCES -4.7200000000e-03 -1.6002000000e-03  3.3537000000e-03 -1.8889000000e-03  5.1383000000e-03 -1.1235000000e-03 -2.7181000000e-03 -4.6018000000e-03 -1.9009000000e-03  1.7090300000e-02  1.1298000000e-03 -4.9749000000e-03  1.8583000000e-03 -3.1180000000e-04  2.0311000000e-03 -9.6216000000e-03  2.4580000000e-04  2.6145000000e-03
-
-JOB 426
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6479700000e-01  2.9133800000e-01 -7.1579200000e-01 -7.8875000000e-01  5.3587400000e-01 -8.3331000000e-02  3.8392400000e-01 -2.9183900000e+00 -8.1761200000e-01  8.5940900000e-01 -2.7307110000e+00 -1.6268840000e+00  1.7307800000e-01 -2.0568040000e+00 -4.5782700000e-01
-ENERGY -1.526597739512e+02
-FORCES -1.8895000000e-03  5.8401000000e-03 -2.0551000000e-03 -3.1943000000e-03 -3.4319000000e-03  2.7832000000e-03  4.3700000000e-03 -1.9731000000e-03 -5.5000000000e-06 -5.4910000000e-04  8.1212000000e-03  9.6210000000e-04 -1.3947000000e-03  1.4530000000e-04  2.5780000000e-03  2.6576000000e-03 -8.7015000000e-03 -4.2627000000e-03
-
-JOB 427
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1559800000e-01 -7.3346800000e-01 -3.3528400000e-01  6.1438800000e-01  4.9902800000e-01  5.3826500000e-01 -7.3751100000e-01  2.2758040000e+00 -1.1236760000e+00 -3.3455900000e-01  1.4763120000e+00 -7.8504200000e-01  1.9640000000e-03  2.8377660000e+00 -1.3552100000e+00
-ENERGY -1.526560272347e+02
-FORCES  2.9230000000e-04  3.1781000000e-03 -2.9751000000e-03 -1.9257000000e-03  4.4949000000e-03  2.7418000000e-03 -4.2254000000e-03  5.5580000000e-04 -8.0072000000e-03  4.1925000000e-03 -1.4961500000e-02  4.1093000000e-03  2.5336000000e-03  1.0638300000e-02  1.8542000000e-03 -8.6740000000e-04 -3.9056000000e-03  2.2770000000e-03
-
-JOB 428
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8054300000e-01  3.9871500000e-01 -8.5127100000e-01  7.2309900000e-01 -6.0462400000e-01 -1.6670000000e-01 -2.3371640000e+00  1.8643320000e+00 -1.6341730000e+00 -1.8250920000e+00  2.2567360000e+00 -2.3413030000e+00 -2.3021950000e+00  2.5081610000e+00 -9.2671800000e-01
-ENERGY -1.526562658135e+02
-FORCES -1.2460000000e-04 -7.1100000000e-04 -4.7359000000e-03  4.8147000000e-03 -2.0205000000e-03  3.8660000000e-03 -2.9632000000e-03  2.5733000000e-03  2.7180000000e-04 -9.2690000000e-04  5.8434000000e-03  9.1220000000e-04 -8.3480000000e-04 -3.0821000000e-03  3.6547000000e-03  3.4800000000e-05 -2.6031000000e-03 -3.9688000000e-03
-
-JOB 429
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2524000000e-01  6.8845600000e-01 -5.8006800000e-01 -5.0419100000e-01 -5.7798900000e-01 -5.7267100000e-01 -1.0640670000e+00 -2.1695390000e+00 -1.2679880000e+00 -1.6292560000e+00 -2.8439640000e+00 -8.9123300000e-01 -1.5246740000e+00 -1.8836150000e+00 -2.0568610000e+00
-ENERGY -1.526583144908e+02
-FORCES -3.8889000000e-03 -1.0157000000e-02 -6.2329000000e-03 -2.1407000000e-03 -3.4064000000e-03  2.7350000000e-04  2.0951000000e-03  1.0225200000e-02  5.9080000000e-04 -1.5293000000e-03 -5.8680000000e-04  3.2992000000e-03  2.3618000000e-03  2.9102000000e-03 -3.5341000000e-03  3.1020000000e-03  1.0147000000e-03  5.6035000000e-03
-
-JOB 430
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0433700000e-01 -8.3391000000e-02  9.0369100000e-01  4.3081200000e-01 -7.1693700000e-01 -4.6544000000e-01 -1.2311580000e+00 -3.0847560000e+00 -9.3079600000e-01 -8.2679200000e-01 -3.3375120000e+00 -1.0083500000e-01 -1.6498170000e+00 -3.8852170000e+00 -1.2473710000e+00
-ENERGY -1.526541677229e+02
-FORCES  1.9093000000e-03 -3.8672000000e-03  3.1300000000e-05 -1.3806000000e-03 -2.6790000000e-04 -3.4770000000e-03 -3.5300000000e-05  3.8980000000e-03  3.5541000000e-03 -1.8016000000e-03 -4.6611000000e-03  2.1650000000e-03 -3.8400000000e-04  1.3985000000e-03 -3.8699000000e-03  1.6922000000e-03  3.4998000000e-03  1.5965000000e-03
-
-JOB 431
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4992100000e-01  6.1073000000e-02  8.4265800000e-01  9.1934900000e-01 -1.3761600000e-01  2.2823400000e-01 -1.3666270000e+00  1.1882470000e+00  2.2457680000e+00 -8.9503400000e-01  1.2177650000e+00  3.0782110000e+00 -1.6811060000e+00  2.0829870000e+00  2.1162460000e+00
-ENERGY -1.526595649212e+02
-FORCES -2.6633000000e-03  3.5309000000e-03  8.7356000000e-03  5.1914000000e-03 -5.5609000000e-03 -6.0411000000e-03 -3.0347000000e-03  7.3480000000e-04  5.9500000000e-05  5.9940000000e-04  5.3960000000e-03 -8.0730000000e-04 -1.3452000000e-03 -3.5540000000e-04 -4.5929000000e-03  1.2524000000e-03 -3.7455000000e-03  2.6462000000e-03
-
-JOB 432
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4304200000e-01 -5.2197900000e-01 -3.0275200000e-01 -3.7736100000e-01  6.0918600000e-01  6.3460500000e-01 -1.7208990000e+00 -1.4132020000e+00 -1.3200690000e+00 -1.8572950000e+00 -2.0977460000e+00 -6.6506700000e-01 -1.1549880000e+00 -1.8188610000e+00 -1.9768920000e+00
-ENERGY -1.526565022102e+02
-FORCES -1.4835400000e-02 -8.8003000000e-03 -1.1420800000e-02  5.8616000000e-03  4.9840000000e-04  9.1386000000e-03 -1.3052000000e-03 -3.4400000000e-03 -2.4475000000e-03  1.0079700000e-02  3.0159000000e-03  1.5379000000e-03  3.8386000000e-03  7.3915000000e-03 -1.3225000000e-03 -3.6393000000e-03  1.3345000000e-03  4.5142000000e-03
-
-JOB 433
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4523100000e-01  3.7994100000e-01  8.0789400000e-01 -7.5218900000e-01 -3.1039000000e-02 -5.9116900000e-01  3.8540400000e-01 -2.7920070000e+00  1.5435300000e+00  1.6935000000e-01 -3.4204850000e+00  8.5464000000e-01  1.6373500000e-01 -1.9395520000e+00  1.1688090000e+00
-ENERGY -1.526589860659e+02
-FORCES -4.2200000000e-03  5.7571000000e-03 -1.6038000000e-03  1.7801000000e-03 -4.5984000000e-03 -3.7096000000e-03  3.6494000000e-03 -5.7780000000e-04  3.3226000000e-03 -5.2150000000e-04  3.9716000000e-03 -7.0562000000e-03  3.6240000000e-04  1.7655000000e-03  2.5383000000e-03 -1.0504000000e-03 -6.3180000000e-03  6.5086000000e-03
-
-JOB 434
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3555300000e-01 -7.9269600000e-01 -3.2382000000e-02  2.6628000000e-02  3.0879600000e-01 -9.0563100000e-01 -6.5372000000e-02 -1.7870860000e+00  2.7379580000e+00  5.6028200000e-01 -2.0577040000e+00  2.0659810000e+00  1.9664000000e-02 -2.4479820000e+00  3.4251390000e+00
-ENERGY -1.526548212982e+02
-FORCES -3.7554000000e-03 -1.0307000000e-03 -3.3183000000e-03  4.1631000000e-03  2.6485000000e-03 -1.0781000000e-03 -1.5920000000e-04 -1.2888000000e-03  4.0124000000e-03  4.3099000000e-03 -2.6677000000e-03  7.0850000000e-04 -4.2954000000e-03 -6.2340000000e-04  2.5967000000e-03 -2.6290000000e-04  2.9621000000e-03 -2.9212000000e-03
-
-JOB 435
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2217200000e-01 -7.6913400000e-01  4.6996800000e-01  6.2572500000e-01  4.0396000000e-01  6.0126300000e-01  8.2172000000e-01  2.8244290000e+00  8.2461200000e-01  1.2255680000e+00  3.6753800000e+00  9.9496600000e-01  1.3996150000e+00  2.4082580000e+00  1.8502500000e-01
-ENERGY -1.526548147634e+02
-FORCES -4.5840000000e-04  3.5270000000e-04  6.3239000000e-03  1.1038000000e-03  2.9778000000e-03 -1.8334000000e-03  6.6130000000e-04 -2.4768000000e-03 -5.6841000000e-03  3.0352000000e-03  3.6219000000e-03 -3.4447000000e-03 -2.1329000000e-03 -3.6082000000e-03 -1.1110000000e-03 -2.2089000000e-03 -8.6740000000e-04  5.7493000000e-03
-
-JOB 436
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2577700000e-01  8.0095100000e-01 -4.7300600000e-01 -1.7808000000e-01 -6.4231200000e-01 -6.8699000000e-01 -1.1957740000e+00 -1.8043990000e+00  2.0495690000e+00 -8.1602700000e-01 -1.9090840000e+00  2.9219590000e+00 -8.7103700000e-01 -9.5645100000e-01  1.7466460000e+00
-ENERGY -1.526608630408e+02
-FORCES  2.0830000000e-04 -2.0370000000e-04 -5.3235000000e-03 -7.2740000000e-04 -3.9616000000e-03  1.2220000000e-03  1.1445000000e-03  4.3553000000e-03  2.4423000000e-03  4.2049000000e-03  5.4181000000e-03 -5.9150000000e-04 -1.1191000000e-03  8.2830000000e-04 -2.9812000000e-03 -3.7112000000e-03 -6.4365000000e-03  5.2319000000e-03
-
-JOB 437
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7952000000e-02 -3.5944200000e-01  8.8585200000e-01 -1.2965400000e-01  9.4130600000e-01  1.1560800000e-01  2.0838490000e+00 -1.6581940000e+00 -7.3972400000e-01  1.3321290000e+00 -1.0666060000e+00 -7.7397700000e-01  1.8377940000e+00 -2.3917820000e+00 -1.3032300000e+00
-ENERGY -1.526614224767e+02
-FORCES  2.9788000000e-03  2.8600000000e-04  3.3350000000e-03 -4.3700000000e-04  2.6829000000e-03 -4.6126000000e-03  9.1700000000e-05 -4.5478000000e-03  8.7330000000e-04 -8.6672000000e-03  6.4144000000e-03 -1.0450000000e-04  6.5251000000e-03 -7.6935000000e-03 -1.5857000000e-03 -4.9140000000e-04  2.8581000000e-03  2.0945000000e-03
-
-JOB 438
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3027000000e-02  3.1315600000e-01  9.0443100000e-01 -5.0674000000e-01 -8.1182200000e-01  1.9803000000e-02  4.4125700000e-01  9.7628300000e-01  2.5281210000e+00  7.6317100000e-01  1.7490480000e+00  2.9922730000e+00 -3.7577700000e-01  7.5188300000e-01  2.9734640000e+00
-ENERGY -1.526579051369e+02
-FORCES  2.9681000000e-03  3.3784000000e-03  1.0603200000e-02 -6.2004000000e-03 -5.5649000000e-03 -5.3817000000e-03  1.2119000000e-03  3.1970000000e-03  2.0052000000e-03  5.7060000000e-04  3.0066000000e-03 -1.6109000000e-03 -2.4105000000e-03 -4.3643000000e-03 -2.8730000000e-04  3.8602000000e-03  3.4720000000e-04 -5.3286000000e-03
-
-JOB 439
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7007000000e-02 -7.3421600000e-01 -6.1389700000e-01  8.6265800000e-01 -5.1270000000e-02  4.1161300000e-01  8.4105600000e-01  8.2003000000e-01 -3.0730060000e+00 -1.1352100000e-01  8.6814600000e-01 -3.0210490000e+00  1.1000540000e+00  1.6394050000e+00 -3.4946410000e+00
-ENERGY -1.526550339434e+02
-FORCES  6.0445000000e-03 -2.3565000000e-03 -2.9839000000e-03 -1.7725000000e-03  2.4326000000e-03  2.9083000000e-03 -3.6569000000e-03 -1.5240000000e-04 -3.2000000000e-04 -3.5002000000e-03  4.6920000000e-03  4.3700000000e-04  3.8231000000e-03 -1.4035000000e-03 -1.7078000000e-03 -9.3810000000e-04 -3.2122000000e-03  1.6664000000e-03
-
-JOB 440
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0478800000e-01  6.9366900000e-01  2.6322300000e-01  6.4135800000e-01 -4.1160000000e-02  7.0936400000e-01 -2.1291410000e+00  1.7571080000e+00  2.2280500000e-01 -3.0201010000e+00  1.4206600000e+00  1.2676200000e-01 -2.1402180000e+00  2.5991230000e+00 -2.3230000000e-01
-ENERGY -1.526612776788e+02
-FORCES -7.7316000000e-03  7.1382000000e-03  2.4343000000e-03  8.8632000000e-03 -5.6010000000e-03  3.2610000000e-04 -2.9524000000e-03  1.3886000000e-03 -1.7420000000e-03 -7.1090000000e-04 -2.2832000000e-03 -3.3845000000e-03  3.4311000000e-03  3.3626000000e-03  1.1970000000e-04 -8.9940000000e-04 -4.0053000000e-03  2.2464000000e-03
-
-JOB 441
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0127500000e-01  6.6093000000e-02  5.1944400000e-01 -2.1367600000e-01  4.3231400000e-01 -8.2684900000e-01  2.6754160000e+00  1.1220000000e-03  4.7920900000e-01  2.7101420000e+00 -5.1375600000e-01  1.2853890000e+00  1.7444420000e+00  1.8239900000e-01  3.5014200000e-01
-ENERGY -1.526596011753e+02
-FORCES  2.3226000000e-03  9.9470000000e-04  6.8740000000e-04  3.3428000000e-03 -4.9410000000e-04 -3.5991000000e-03  1.0736000000e-03 -1.7143000000e-03  5.2505000000e-03 -1.4966300000e-02 -2.2313000000e-03  4.1550000000e-04 -1.4490000000e-04  1.5187000000e-03 -1.7062000000e-03  8.3722000000e-03  1.9264000000e-03 -1.0481000000e-03
-
-JOB 442
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2022200000e-01  1.9994200000e-01 -8.3646200000e-01 -6.5428300000e-01  2.3241900000e-01  6.5888300000e-01 -5.9434300000e-01 -4.0962000000e-02 -2.7805080000e+00 -1.5507620000e+00 -5.2286000000e-02 -2.7435430000e+00 -3.7007300000e-01  8.8054700000e-01 -2.9099540000e+00
-ENERGY -1.526566909962e+02
-FORCES -3.0868000000e-03 -8.6060000000e-04 -8.7968000000e-03 -8.0660000000e-04  4.5003000000e-03  9.4195000000e-03  1.2177000000e-03 -7.2260000000e-04 -4.3300000000e-03 -1.2887000000e-03  1.4255000000e-03 -3.7974000000e-03  5.9419000000e-03  1.0333000000e-03  3.2534000000e-03 -1.9775000000e-03 -5.3760000000e-03  4.2513000000e-03
-
-JOB 443
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8240900000e-01  4.4922800000e-01  7.5378300000e-01  2.4870100000e-01  5.3805500000e-01 -7.5158300000e-01  1.9702100000e-01  1.0040370000e+00  2.6022820000e+00  4.3427500000e-01  1.7044600000e-01  3.0085670000e+00  9.6710200000e-01  1.5589770000e+00  2.7257710000e+00
-ENERGY -1.526583258509e+02
-FORCES  2.9180000000e-04  6.5073000000e-03  8.9867000000e-03  3.4221000000e-03 -4.5769000000e-03 -9.1525000000e-03 -1.9710000000e-04 -6.6710000000e-04  3.8552000000e-03  4.7350000000e-04 -2.3795000000e-03  3.7159000000e-03 -2.6040000000e-04  4.9711000000e-03 -3.7158000000e-03 -3.7300000000e-03 -3.8548000000e-03 -3.6895000000e-03
-
-JOB 444
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3497000000e-02 -2.8411100000e-01 -9.1345000000e-01  1.2577000000e-02  9.5603900000e-01 -4.5415000000e-02  1.8383200000e-01 -3.2458650000e+00 -8.2786700000e-01 -1.8810800000e-01 -4.0887130000e+00 -5.6805900000e-01  6.5408900000e-01 -2.9415730000e+00 -5.1661000000e-02
-ENERGY -1.526576031065e+02
-FORCES -7.1120000000e-04  2.3907000000e-03 -4.7332000000e-03  8.4800000000e-04  3.2756000000e-03  4.5994000000e-03 -2.4420000000e-04 -3.8798000000e-03 -8.1300000000e-05 -1.6740000000e-04 -2.1152000000e-03  5.4204000000e-03  1.7238000000e-03  3.0926000000e-03 -8.6190000000e-04 -1.4490000000e-03 -2.7638000000e-03 -4.3433000000e-03
-
-JOB 445
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1111000000e-02  4.2630700000e-01 -8.5604000000e-01 -3.0964400000e-01  6.6533800000e-01  6.1455500000e-01  1.3373380000e+00 -2.6537000000e-01  3.8167610000e+00  1.5914360000e+00  2.1085500000e-01  4.6072520000e+00  2.0234410000e+00 -5.9776000000e-02  3.1817610000e+00
-ENERGY -1.526548865984e+02
-FORCES -2.3765000000e-03  4.1201000000e-03 -4.9630000000e-04  3.2030000000e-04 -1.7207000000e-03  3.5844000000e-03  1.6831000000e-03 -2.2433000000e-03 -3.5455000000e-03  4.4423000000e-03  1.8041000000e-03  3.8790000000e-04 -1.1939000000e-03 -1.8194000000e-03 -3.3709000000e-03 -2.8754000000e-03 -1.4090000000e-04  3.4403000000e-03
-
-JOB 446
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3409000000e-01  2.0220000000e-03  2.0905300000e-01 -4.1999100000e-01 -3.5985500000e-01  7.8124500000e-01  2.4540760000e+00  1.5098400000e-01  8.7943600000e-01  2.3150090000e+00  9.1770400000e-01  1.4353430000e+00  3.1444110000e+00  4.1697200000e-01  2.7204900000e-01
-ENERGY -1.526581708005e+02
-FORCES  1.9686300000e-02 -1.9384000000e-03  7.6368000000e-03 -8.7655000000e-03  2.4097000000e-03 -2.4479000000e-03  2.0153000000e-03  1.9215000000e-03 -1.1309000000e-03 -7.9902000000e-03  2.8145000000e-03 -3.3960000000e-03 -1.9900000000e-04 -4.7123000000e-03 -4.0559000000e-03 -4.7469000000e-03 -4.9500000000e-04  3.3940000000e-03
-
-JOB 447
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0546000000e-01  8.3029300000e-01 -4.2968800000e-01 -3.3163800000e-01 -6.6879400000e-01 -5.9913500000e-01  2.3795970000e+00  1.0296970000e+00  1.1129610000e+00  2.5249760000e+00  1.8157170000e+00  5.8639800000e-01  1.5846670000e+00  6.4038600000e-01  7.4860400000e-01
-ENERGY -1.526588922400e+02
-FORCES -3.4700000000e-05 -1.3095000000e-03 -2.9834000000e-03  3.9903000000e-03 -4.0310000000e-03  2.6605000000e-03  1.7900000000e-04  4.4428000000e-03  2.2147000000e-03 -8.1570000000e-03 -4.2279000000e-03 -5.3095000000e-03 -1.9873000000e-03 -2.5342000000e-03  9.9110000000e-04  6.0097000000e-03  7.6598000000e-03  2.4266000000e-03
-
-JOB 448
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4590000000e-03  6.8839400000e-01 -6.6503700000e-01 -5.5980600000e-01  3.3575400000e-01  7.0008400000e-01  3.6649800000e-01  2.2330120000e+00 -1.4485580000e+00 -3.7492100000e-01  2.2429080000e+00 -2.0538940000e+00  4.8509200000e-01  3.1495590000e+00 -1.1993430000e+00
-ENERGY -1.526565591043e+02
-FORCES  2.0869000000e-03  1.5216900000e-02 -5.3031000000e-03 -5.1337000000e-03 -7.2088000000e-03 -1.5693000000e-03  1.3853000000e-03 -7.0650000000e-04 -1.9023000000e-03 -4.2000000000e-05 -9.2820000000e-04  5.5458000000e-03  3.3432000000e-03 -2.5001000000e-03  5.9694000000e-03 -1.6397000000e-03 -3.8734000000e-03 -2.7405000000e-03
-
-JOB 449
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8221500000e-01  8.4416000000e-02  9.3589700000e-01 -3.3066600000e-01  8.1247500000e-01 -3.8311300000e-01 -9.3409900000e-01  2.0718500000e+00 -1.5811620000e+00 -3.4463700000e-01  2.7057560000e+00 -1.1725900000e+00 -8.8108400000e-01  2.2636400000e+00 -2.5174510000e+00
-ENERGY -1.526579629236e+02
-FORCES -5.9639000000e-03  6.7605000000e-03 -5.9126000000e-03  2.8690000000e-04  1.6986000000e-03 -3.7565000000e-03  5.6157000000e-03 -1.0999000000e-03  8.6906000000e-03  2.9969000000e-03 -1.7600000000e-03 -3.8038000000e-03 -2.6598000000e-03 -6.8188000000e-03  7.4500000000e-05 -2.7570000000e-04  1.2197000000e-03  4.7078000000e-03
-
-JOB 450
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1458600000e-01 -2.3998300000e-01  9.0143900000e-01 -1.2059900000e-01  9.4907000000e-01 -3.0877000000e-02 -1.9876440000e+00 -3.3428600000e-01 -1.9273260000e+00 -1.4754760000e+00 -2.8841900000e-01 -1.1199770000e+00 -1.7938150000e+00 -1.2004820000e+00 -2.2856100000e+00
-ENERGY -1.526599801994e+02
-FORCES  4.5100000000e-04  3.5296000000e-03  1.2060000000e-03 -3.4300000000e-04  1.2090000000e-03 -5.7696000000e-03 -1.6446000000e-03 -6.6237000000e-03  6.4200000000e-05  1.1097900000e-02 -2.5660000000e-03  8.0548000000e-03 -8.6870000000e-03  2.2345000000e-03 -4.7695000000e-03 -8.7440000000e-04  2.2165000000e-03  1.2141000000e-03
-
-JOB 451
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9884500000e-01  4.5157400000e-01 -6.8078400000e-01 -2.6466400000e-01  4.2714900000e-01  8.1469500000e-01  2.5271530000e+00 -8.2951100000e-01 -2.2146000000e-02  2.6847240000e+00 -1.0321060000e+00  9.0000200000e-01  1.6430430000e+00 -4.6307600000e-01 -3.9679000000e-02
-ENERGY -1.526588340049e+02
-FORCES  6.2713000000e-03  1.1880000000e-04 -8.2160000000e-04  1.6678000000e-03 -1.6894000000e-03  4.7767000000e-03  1.6858000000e-03 -2.1582000000e-03 -4.5314000000e-03 -1.6486700000e-02  4.4322000000e-03  1.1913000000e-03 -1.6928000000e-03  1.4163000000e-03 -1.9937000000e-03  8.5547000000e-03 -2.1197000000e-03  1.3787000000e-03
-
-JOB 452
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1013700000e-01  9.2301100000e-01 -1.4186400000e-01  3.8452200000e-01 -4.5186500000e-01 -7.5112800000e-01  5.3609900000e-01  2.2914520000e+00 -1.6948430000e+00  4.7939300000e-01  3.2069650000e+00 -1.4212490000e+00  1.4399360000e+00  2.1851790000e+00 -1.9915190000e+00
-ENERGY -1.526584989489e+02
-FORCES  2.0624000000e-03  7.8960000000e-03 -9.3807000000e-03 -2.1920000000e-04 -4.9024000000e-03  6.7170000000e-03 -2.5600000000e-04 -1.7580000000e-04  2.7042000000e-03  2.5378000000e-03  2.8052000000e-03 -1.8979000000e-03  6.4030000000e-04 -5.2667000000e-03 -4.1150000000e-04 -4.7654000000e-03 -3.5630000000e-04  2.2691000000e-03
-
-JOB 453
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8540900000e-01 -3.1455500000e-01 -8.8482200000e-01 -3.1381700000e-01  9.0428700000e-01  3.9020000000e-03  9.8625400000e-01  1.1117200000e+00 -3.6710390000e+00  7.0436800000e-01  2.2811900000e-01 -3.4343540000e+00  1.9149530000e+00  1.1371500000e+00 -3.4405980000e+00
-ENERGY -1.526543189510e+02
-FORCES -2.6611000000e-03  3.6399000000e-03 -3.5950000000e-03  1.5465000000e-03  1.9600000000e-04  2.7085000000e-03  1.2239000000e-03 -4.1221000000e-03  7.3960000000e-04  4.1502000000e-03 -3.4156000000e-03  1.1497000000e-03 -9.9700000000e-05  3.7138000000e-03  3.5060000000e-04 -4.1598000000e-03 -1.2100000000e-05 -1.3534000000e-03
-
-JOB 454
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7006600000e-01 -5.0664900000e-01  6.6225000000e-01 -9.9000000000e-04 -5.6114300000e-01 -7.7546700000e-01  3.9095400000e-01  2.6937590000e+00 -9.5691000000e-02 -1.0606400000e-01  3.3137270000e+00  4.3801700000e-01 -7.2414000000e-02  1.8626150000e+00  7.8570000000e-03
-ENERGY -1.526600697143e+02
-FORCES  4.4302000000e-03  2.1734000000e-03 -7.8000000000e-04 -2.5947000000e-03  9.0020000000e-04 -3.6388000000e-03  4.5080000000e-04  1.4802000000e-03  4.3167000000e-03 -2.8741000000e-03 -1.0578800000e-02  7.9080000000e-04  1.0799000000e-03 -3.8337000000e-03 -9.7200000000e-04 -4.9200000000e-04  9.8587000000e-03  2.8330000000e-04
-
-JOB 455
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5285500000e-01 -5.1174800000e-01 -7.9434300000e-01 -8.9872900000e-01 -2.1153600000e-01  2.5252700000e-01  1.7697010000e+00 -2.5082390000e+00  9.8724900000e-01  1.3110350000e+00 -1.7450880000e+00  6.3588400000e-01  1.3551460000e+00 -3.2563090000e+00  5.5740400000e-01
-ENERGY -1.526572123698e+02
-FORCES -6.2536000000e-03  9.9610000000e-04 -2.9943000000e-03  1.0325000000e-03 -2.0980000000e-04  6.7478000000e-03  4.7573000000e-03  5.0930000000e-04 -1.6917000000e-03 -4.3872000000e-03  3.3655000000e-03 -1.8189000000e-03  3.8616000000e-03 -8.1336000000e-03 -1.2430000000e-03  9.8940000000e-04  3.4725000000e-03  1.0001000000e-03
-
-JOB 456
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3438800000e-01  6.9383600000e-01 -3.8633200000e-01  6.2054200000e-01 -7.0396000000e-01  1.8868100000e-01 -2.9436060000e+00  2.3392550000e+00  5.6721000000e-01 -2.4001890000e+00  2.2693240000e+00 -2.1767100000e-01 -2.6019020000e+00  3.1053840000e+00  1.0282060000e+00
-ENERGY -1.526534683643e+02
-FORCES  5.0553000000e-03 -1.2112000000e-03 -8.0000000000e-05 -3.1006000000e-03 -2.1760000000e-03  1.3884000000e-03 -2.4873000000e-03  3.0802000000e-03 -8.3000000000e-04  4.5052000000e-03  1.1394000000e-03 -1.1844000000e-03 -2.5753000000e-03  1.9595000000e-03  2.6297000000e-03 -1.3973000000e-03 -2.7920000000e-03 -1.9237000000e-03
-
-JOB 457
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4204000000e-02  4.4526200000e-01  8.4618000000e-01 -9.3642500000e-01 -7.0952000000e-02 -1.8522000000e-01  2.5300220000e+00 -9.3440000000e-01 -3.9929600000e-01  1.7425280000e+00 -3.9089100000e-01 -3.7316200000e-01  3.2495880000e+00 -3.2178400000e-01 -2.4711500000e-01
-ENERGY -1.526587328211e+02
-FORCES  5.6030000000e-04 -2.9536000000e-03 -1.0600000000e-05  5.5710000000e-04 -1.6547000000e-03 -5.0503000000e-03  3.5696000000e-03  1.1537000000e-03  2.9239000000e-03 -9.7967000000e-03  4.2628000000e-03 -2.3790000000e-04  9.1026000000e-03  8.7600000000e-05  1.8854000000e-03 -3.9929000000e-03 -8.9580000000e-04  4.8940000000e-04
-
-JOB 458
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1867200000e-01 -7.3034200000e-01 -8.8380000000e-03  1.4796100000e-01  2.0037800000e-01 -9.2422300000e-01  7.5908100000e-01 -2.3330980000e+00 -2.7312830000e+00  1.5677420000e+00 -1.9438750000e+00 -2.3984110000e+00  5.1752100000e-01 -1.7836950000e+00 -3.4769620000e+00
-ENERGY -1.526556264481e+02
-FORCES -2.7833000000e-03 -3.8266000000e-03 -4.4426000000e-03  2.0281000000e-03  3.9228000000e-03  1.2455000000e-03  5.2700000000e-04  4.3550000000e-04  3.4299000000e-03  3.8721000000e-03  2.0573000000e-03 -2.4145000000e-03 -4.2655000000e-03 -1.0342000000e-03 -1.9479000000e-03  6.2170000000e-04 -1.5548000000e-03  4.1296000000e-03
-
-JOB 459
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8838200000e-01 -8.6863200000e-01  2.8026200000e-01  1.5242900000e-01 -8.9670000000e-02 -9.4072100000e-01  2.4094020000e+00  7.7919600000e-01  9.7469600000e-01  1.6859750000e+00  4.5909800000e-01  4.3578700000e-01  2.0819440000e+00  1.5933840000e+00  1.3569280000e+00
-ENERGY -1.526587473929e+02
-FORCES  2.0828000000e-03 -2.7177000000e-03  2.3867000000e-03  1.3793000000e-03  4.5530000000e-03 -2.6433000000e-03  2.5278000000e-03  7.3240000000e-04  6.8353000000e-03 -1.6576300000e-02 -2.1498000000e-03 -3.5551000000e-03  9.1140000000e-03  1.4183000000e-03 -2.2250000000e-03  1.4725000000e-03 -1.8362000000e-03 -7.9870000000e-04
-
-JOB 460
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6707000000e-01 -4.8486000000e-02 -4.0258000000e-01 -2.1489300000e-01 -9.0716500000e-01  2.1703400000e-01  1.0855200000e+00  2.7974060000e+00  1.8072690000e+00  1.3280720000e+00  3.7221780000e+00  1.8541460000e+00  1.7570100000e-01  2.8027070000e+00  1.5098910000e+00
-ENERGY -1.526557639939e+02
-FORCES  4.0487000000e-03 -3.8620000000e-03 -1.5270000000e-04 -4.1007000000e-03 -6.6680000000e-04  6.8240000000e-04  7.9470000000e-04  3.6025000000e-03 -1.0113000000e-03 -4.0546000000e-03  2.5396000000e-03 -1.3403000000e-03 -8.3500000000e-04 -3.8801000000e-03 -4.0450000000e-04  4.1469000000e-03  2.2667000000e-03  2.2264000000e-03
-
-JOB 461
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3811900000e-01 -8.0596400000e-01  3.9029300000e-01 -7.7890300000e-01  4.6081600000e-01 -3.1175500000e-01 -2.0553740000e+00  1.3892990000e+00 -1.0424570000e+00 -1.5104810000e+00  2.0105320000e+00 -1.5255650000e+00 -2.6604300000e+00  1.0409860000e+00 -1.6972980000e+00
-ENERGY -1.526599841227e+02
-FORCES -1.4490900000e-02  5.9201000000e-03 -4.4793000000e-03 -1.5100000000e-04  2.2597000000e-03 -1.7472000000e-03  9.6826000000e-03 -2.3309000000e-03  2.5458000000e-03  4.3416000000e-03 -3.2595000000e-03 -2.1715000000e-03 -2.5516000000e-03 -5.0924000000e-03  2.9622000000e-03  3.1693000000e-03  2.5029000000e-03  2.8901000000e-03
-
-JOB 462
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7592900000e-01  5.1898900000e-01 -2.1170100000e-01  5.3801700000e-01  3.9214000000e-02 -7.9071600000e-01 -4.0448000000e-01 -2.2645480000e+00  1.5630610000e+00 -1.3820200000e-01 -1.4819430000e+00  1.0805090000e+00 -1.3574500000e-01 -2.0930050000e+00  2.4656060000e+00
-ENERGY -1.526617133979e+02
-FORCES -2.5792000000e-03 -1.6480000000e-03 -1.6286000000e-03  4.6360000000e-03 -1.6704000000e-03 -1.0800000000e-04 -3.3576000000e-03  6.7630000000e-04  3.4236000000e-03  2.8403000000e-03  1.0292600000e-02 -4.9472000000e-03 -8.3050000000e-04 -8.1240000000e-03  6.2842000000e-03 -7.0900000000e-04  4.7350000000e-04 -3.0239000000e-03
-
-JOB 463
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2376700000e-01  8.3250000000e-02 -7.2126000000e-01 -7.7853200000e-01  4.6871800000e-01 -3.0070400000e-01 -2.6508380000e+00  8.2763800000e-01 -1.8906100000e-01 -3.0210100000e+00  1.6279850000e+00 -5.6141700000e-01 -3.4125240000e+00  2.9844400000e-01  4.7626000000e-02
-ENERGY -1.526599335375e+02
-FORCES -8.7984000000e-03  2.9912000000e-03 -2.2068000000e-03 -3.3462000000e-03  6.3130000000e-04  1.7304000000e-03  9.8246000000e-03 -7.7640000000e-04 -9.8640000000e-04 -1.5705000000e-03 -2.8433000000e-03  1.7026000000e-03  2.0519000000e-03 -4.1637000000e-03  1.3787000000e-03  1.8385000000e-03  4.1609000000e-03 -1.6186000000e-03
-
-JOB 464
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6783100000e-01 -1.6302700000e-01  3.6949100000e-01  4.3310700000e-01  5.6123700000e-01  6.4316700000e-01  8.3629000000e-01  1.8545100000e+00  2.2100160000e+00  1.7917540000e+00  1.8459090000e+00  2.1530520000e+00  6.4856600000e-01  1.6466960000e+00  3.1253330000e+00
-ENERGY -1.526602790889e+02
-FORCES -1.1558000000e-03  6.1886000000e-03  8.5149000000e-03  2.2538000000e-03 -3.9630000000e-04 -1.4374000000e-03  8.4750000000e-04 -5.9225000000e-03 -7.3549000000e-03  2.3889000000e-03  3.3300000000e-04  5.2709000000e-03 -5.5571000000e-03 -1.4273000000e-03 -6.2720000000e-04  1.2227000000e-03  1.2245000000e-03 -4.3663000000e-03
-
-JOB 465
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.3057400000e-01 -1.9376700000e-01 -1.1277700000e-01  5.3930000000e-02  9.5447200000e-01 -4.8019000000e-02 -1.1223160000e+00 -2.2571530000e+00  2.2782080000e+00 -1.4791310000e+00 -2.3335050000e+00  1.3932870000e+00 -1.0689880000e+00 -1.3143810000e+00  2.4349510000e+00
-ENERGY -1.526534319257e+02
-FORCES -2.5024000000e-03  3.8214000000e-03 -2.4727000000e-03  3.6102000000e-03 -5.1220000000e-04  2.2518000000e-03 -3.3460000000e-04 -4.4847000000e-03  7.3160000000e-04  1.7006000000e-03  4.4218000000e-03 -3.9407000000e-03  1.5000000000e-06  8.4970000000e-04  3.0318000000e-03 -2.4754000000e-03 -4.0961000000e-03  3.9820000000e-04
-
-JOB 466
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7426900000e-01 -8.1658800000e-01  4.6802400000e-01  7.0348100000e-01  6.1056000000e-02 -6.4623400000e-01  1.9305470000e+00  5.5400900000e-01 -1.7962070000e+00  2.8808720000e+00  4.4198000000e-01 -1.8199290000e+00  1.6283730000e+00  2.2007000000e-01 -2.6408420000e+00
-ENERGY -1.526595313785e+02
-FORCES  1.2077400000e-02  1.8444000000e-03 -7.9433000000e-03  7.4800000000e-04  2.3381000000e-03 -2.1470000000e-03 -8.8261000000e-03 -3.5498000000e-03  3.2831000000e-03 -8.0340000000e-04 -1.4645000000e-03  2.4281000000e-03 -4.8784000000e-03  1.4420000000e-04 -1.4554000000e-03  1.6825000000e-03  6.8770000000e-04  5.8345000000e-03
-
-JOB 467
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2314400000e-01  2.9741400000e-01 -3.8757000000e-01  2.6271900000e-01 -4.6232600000e-01  7.9590500000e-01  1.3086840000e+00 -2.1206120000e+00  1.3272400000e+00  2.1438000000e+00 -1.6783270000e+00  1.1749330000e+00  9.1831000000e-01 -1.6494170000e+00  2.0633210000e+00
-ENERGY -1.526490220031e+02
-FORCES  8.4735000000e-03 -1.0050700000e-02  2.3952000000e-03 -2.3922000000e-03 -5.9130000000e-04  1.6635000000e-03 -1.1512000000e-03  4.5023000000e-03  5.7085000000e-03  1.6803000000e-03  3.7960000000e-03 -1.4120000000e-04 -5.6358000000e-03 -3.9940000000e-04 -1.8970000000e-04 -9.7460000000e-04  2.7431000000e-03 -9.4364000000e-03
-
-JOB 468
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7837600000e-01 -7.5613700000e-01  5.5916900000e-01  9.5060200000e-01  1.0623500000e-01  3.6085000000e-02  3.0810200000e-01 -1.3096610000e+00 -2.5859790000e+00  2.2461900000e-01 -1.6165180000e+00 -3.4888080000e+00 -5.8999000000e-01 -1.2891680000e+00 -2.2554590000e+00
-ENERGY -1.526554036881e+02
-FORCES  6.5745000000e-03 -3.0819000000e-03 -7.1020000000e-04 -3.6340000000e-04  2.6780000000e-03 -3.0835000000e-03 -3.9201000000e-03  5.5200000000e-04  2.2510000000e-03 -5.2989000000e-03  1.3490000000e-03  1.0671000000e-03  2.5950000000e-04  1.8303000000e-03  4.3174000000e-03  2.7485000000e-03 -3.3275000000e-03 -3.8419000000e-03
-
-JOB 469
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1178700000e-01  5.4640000000e-02  8.0704400000e-01  2.6849000000e-01  9.0186900000e-01 -1.7543600000e-01  2.2950900000e+00 -2.4507440000e+00  1.3106800000e+00  1.9463150000e+00 -2.5947880000e+00  4.3099900000e-01  2.7580070000e+00 -1.6150230000e+00  1.2514330000e+00
-ENERGY -1.526561784669e+02
-FORCES -2.2309000000e-03  3.8178000000e-03  3.3515000000e-03  1.9125000000e-03  4.8790000000e-04 -3.8371000000e-03 -5.4500000000e-04 -3.9679000000e-03  8.9510000000e-04 -1.3218000000e-03  4.4413000000e-03 -5.2091000000e-03  2.6072000000e-03 -1.3189000000e-03  3.6750000000e-03 -4.2190000000e-04 -3.4602000000e-03  1.1247000000e-03
-
-JOB 470
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3871000000e-01  3.1637800000e-01 -7.8972800000e-01  7.0671900000e-01 -3.4673100000e-01  5.4457000000e-01 -1.0681480000e+00 -1.7737810000e+00 -1.9340550000e+00 -6.6560500000e-01 -1.4230100000e+00 -1.1396040000e+00 -4.7646100000e-01 -1.5109220000e+00 -2.6390680000e+00
-ENERGY -1.526571745965e+02
-FORCES  3.5120000000e-03  2.7077000000e-03 -1.1052000000e-03 -2.8988000000e-03 -5.3694000000e-03  2.8005000000e-03 -4.1954000000e-03  5.1970000000e-04 -4.3803000000e-03  4.8066000000e-03  7.0632000000e-03  7.7540000000e-03 -6.8700000000e-05 -5.5156000000e-03 -8.3021000000e-03 -1.1556000000e-03  5.9440000000e-04  3.2331000000e-03
-
-JOB 471
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7469000000e-01 -2.2520600000e-01  8.8885300000e-01  7.3493700000e-01 -2.6548100000e-01 -5.5282800000e-01  1.6798500000e+00 -7.6133400000e-01 -2.1175360000e+00  2.0042680000e+00  3.3207000000e-02 -2.5414340000e+00  2.4682410000e+00 -1.2669020000e+00 -1.9198710000e+00
-ENERGY -1.526602535711e+02
-FORCES  7.2370000000e-03 -4.3179000000e-03 -7.1507000000e-03  5.4810000000e-04 -1.2900000000e-05 -3.7112000000e-03 -4.6718000000e-03  4.0439000000e-03  9.6883000000e-03  2.3690000000e-03  1.3249000000e-03 -2.2588000000e-03 -1.1805000000e-03 -4.5092000000e-03  3.1598000000e-03 -4.3018000000e-03  3.4713000000e-03  2.7260000000e-04
-
-JOB 472
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7875000000e-02 -3.9028300000e-01  8.7054400000e-01  7.4448000000e-01 -4.5020900000e-01 -3.9911600000e-01  5.5886300000e-01  3.0183830000e+00 -4.3186000000e-02  8.3379900000e-01  2.1602500000e+00  2.7969100000e-01 -2.7027600000e-01  2.8517460000e+00 -4.9150700000e-01
-ENERGY -1.526591999998e+02
-FORCES  9.0140000000e-04 -5.5730000000e-03  7.6540000000e-04  1.2145000000e-03  2.6535000000e-03 -4.1585000000e-03 -3.1460000000e-03  3.0858000000e-03  2.7180000000e-03 -4.4810000000e-03 -9.6196000000e-03 -1.0081000000e-03  3.2488000000e-03  6.0927000000e-03  8.8240000000e-04  2.2623000000e-03  3.3606000000e-03  8.0070000000e-04
-
-JOB 473
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0574900000e-01 -1.6018600000e-01  4.9126400000e-01 -3.8776800000e-01  7.6835000000e-01  4.1893500000e-01  2.1828290000e+00 -1.0003300000e-01  1.7218730000e+00  2.8255620000e+00 -8.0505700000e-01  1.7997680000e+00  2.5535590000e+00  6.2012300000e-01  2.2319390000e+00
-ENERGY -1.526600764535e+02
-FORCES  9.1340000000e-03  1.8993000000e-03  9.7772000000e-03 -5.7034000000e-03 -1.7131000000e-03 -5.8677000000e-03  7.7900000000e-04 -1.5248000000e-03 -1.3631000000e-03 -5.7110000000e-04  1.4234000000e-03 -8.6380000000e-04 -2.7476000000e-03  4.1433000000e-03 -3.8500000000e-05 -8.9090000000e-04 -4.2281000000e-03 -1.6441000000e-03
-
-JOB 474
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4818000000e-01  2.5113000000e-02 -1.2867300000e-01 -3.5388200000e-01 -2.1179600000e-01 -8.6379500000e-01  1.4743430000e+00  2.5201630000e+00 -1.7057190000e+00  1.5014930000e+00  2.8329410000e+00 -8.0147100000e-01  6.8667600000e-01  2.9200080000e+00 -2.0744160000e+00
-ENERGY -1.526564514971e+02
-FORCES  3.8454000000e-03  4.3960000000e-04 -6.4759000000e-03 -3.6806000000e-03 -1.0155000000e-03  2.7159000000e-03  9.5100000000e-05  8.4800000000e-05  3.7049000000e-03 -4.6963000000e-03  3.4243000000e-03  3.1334000000e-03  1.0454000000e-03 -1.3841000000e-03 -3.9764000000e-03  3.3910000000e-03 -1.5491000000e-03  8.9810000000e-04
-
-JOB 475
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4909300000e-01 -2.3058800000e-01 -5.4947400000e-01  6.6306000000e-01 -6.5767100000e-01 -2.0988600000e-01  3.1507000000e+00  3.4595900000e-01  1.5239560000e+00  2.8846010000e+00  8.0112300000e-01  7.2505100000e-01  3.6794640000e+00 -3.9011600000e-01  1.2160050000e+00
-ENERGY -1.526542274260e+02
-FORCES -1.2163000000e-03 -4.4503000000e-03 -2.0329000000e-03  3.3160000000e-03  8.6430000000e-04  2.4930000000e-03 -2.2531000000e-03  3.5076000000e-03 -6.1710000000e-04  7.3070000000e-04  6.8050000000e-04 -3.7526000000e-03  2.4838000000e-03 -3.2039000000e-03  3.0725000000e-03 -3.0610000000e-03  2.6019000000e-03  8.3700000000e-04
-
-JOB 476
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7198800000e-01 -6.3787000000e-01 -2.4038500000e-01 -4.8756300000e-01  7.2987600000e-01  3.8183200000e-01 -2.0756360000e+00 -1.8427530000e+00 -5.6125900000e-01 -1.8700630000e+00 -2.6163630000e+00 -3.6379000000e-02 -2.8454370000e+00 -2.0960020000e+00 -1.0706740000e+00
-ENERGY -1.526609766553e+02
-FORCES -1.0170400000e-02 -3.9480000000e-03 -2.1842000000e-03  7.5119000000e-03  2.9460000000e-03  3.9508000000e-03  1.4971000000e-03 -1.8552000000e-03 -1.0631000000e-03 -7.0790000000e-04 -8.5610000000e-04 -1.1565000000e-03 -1.1468000000e-03  4.2530000000e-03 -3.0760000000e-03  3.0161000000e-03 -5.3970000000e-04  3.5290000000e-03
-
-JOB 477
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0535600000e-01  4.3075000000e-01 -2.8651000000e-01 -7.0158500000e-01  5.7430900000e-01 -3.0688600000e-01  1.0605330000e+00  2.4460220000e+00 -1.8654680000e+00  1.6001210000e+00  2.5316280000e+00 -2.6514380000e+00  5.0093600000e-01  1.6892580000e+00 -2.0397990000e+00
-ENERGY -1.526554968511e+02
-FORCES  1.4673000000e-03  5.9833000000e-03  6.9360000000e-04 -5.1407000000e-03 -4.0599000000e-03 -1.0538000000e-03  3.4156000000e-03 -3.0081000000e-03 -1.3233000000e-03  2.0260000000e-04 -1.0140000000e-03 -6.1749000000e-03 -2.5559000000e-03 -5.7610000000e-04  3.6668000000e-03  2.6111000000e-03  2.6748000000e-03  4.1915000000e-03
-
-JOB 478
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3516800000e-01  8.2333000000e-02 -1.8685500000e-01 -4.2297900000e-01  7.2454000000e-02 -8.5561200000e-01 -2.2824580000e+00  1.9090700000e-01 -1.7019450000e+00 -2.3318430000e+00 -1.2190000000e-01 -2.6052420000e+00 -2.3427130000e+00  1.1434720000e+00 -1.7742110000e+00
-ENERGY -1.526587577319e+02
-FORCES -4.9596000000e-03 -5.4280000000e-04 -6.1303000000e-03 -4.2465000000e-03 -7.8100000000e-05 -8.9170000000e-04  9.3808000000e-03  1.6343000000e-03  4.5341000000e-03 -4.0334000000e-03  2.5210000000e-03 -2.0675000000e-03  1.7303000000e-03  1.8997000000e-03  4.7823000000e-03  2.1283000000e-03 -5.4341000000e-03 -2.2690000000e-04
-
-JOB 479
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8996800000e-01 -6.7267900000e-01  3.4010600000e-01  5.7514300000e-01  7.2995900000e-01 -2.2935300000e-01 -1.1201390000e+00  1.1214730000e+00  2.9204890000e+00 -5.9222300000e-01  1.4738470000e+00  2.2039910000e+00 -1.8571290000e+00  6.9153100000e-01  2.4866380000e+00
-ENERGY -1.526568938981e+02
-FORCES  5.5835000000e-03 -2.0638000000e-03 -4.4260000000e-04 -2.4878000000e-03  3.2595000000e-03 -2.0427000000e-03 -3.2763000000e-03 -2.3782000000e-03  2.6461000000e-03 -6.5680000000e-04 -2.2671000000e-03 -8.2019000000e-03 -5.7780000000e-04  1.5689000000e-03  4.4761000000e-03  1.4153000000e-03  1.8806000000e-03  3.5650000000e-03
-
-JOB 480
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6311200000e-01  4.6115100000e-01 -3.4818300000e-01  3.6498800000e-01 -6.4358700000e-01  6.0729900000e-01 -2.5465580000e+00  3.4669300000e-01  1.5613930000e+00 -2.5448280000e+00  1.0090440000e+00  2.2524210000e+00 -1.7328310000e+00  4.9904000000e-01  1.0809040000e+00
-ENERGY -1.526608669446e+02
-FORCES  5.5192000000e-03 -1.8603000000e-03 -7.3050000000e-04 -2.9557000000e-03 -2.7518000000e-03  2.0412000000e-03 -1.6575000000e-03  4.3915000000e-03 -2.6723000000e-03  5.9784000000e-03  2.7695000000e-03 -3.0862000000e-03  6.8290000000e-04 -2.2431000000e-03 -2.4405000000e-03 -7.5673000000e-03 -3.0590000000e-04  6.8883000000e-03
-
-JOB 481
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6950800000e-01 -1.9043200000e-01 -3.5202800000e-01 -3.5871900000e-01 -8.5707600000e-01  2.3015800000e-01  5.9745800000e-01  5.2018800000e-01 -3.3781750000e+00  6.9554300000e-01  1.7529700000e-01 -4.2656780000e+00  1.3173350000e+00  1.2516700000e-01 -2.8862730000e+00
-ENERGY -1.526512481351e+02
-FORCES  1.0779000000e-03 -4.1254000000e-03 -1.4812000000e-03 -2.4432000000e-03  6.6320000000e-04  4.4930000000e-04  1.6386000000e-03  3.5878000000e-03 -7.0230000000e-04  3.0517000000e-03 -2.7492000000e-03 -1.6396000000e-03 -7.9150000000e-04  1.4645000000e-03  4.0069000000e-03 -2.5334000000e-03  1.1591000000e-03 -6.3320000000e-04
-
-JOB 482
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9129900000e-01  7.0636600000e-01 -5.1396900000e-01  5.2610900000e-01 -3.5376000000e-02  7.9886800000e-01 -2.1713990000e+00  9.4424500000e-01  1.2954920000e+00 -2.4211020000e+00  1.7475830000e+00  8.3884300000e-01 -1.3817780000e+00  6.4682000000e-01  8.4353000000e-01
-ENERGY -1.526582445051e+02
-FORCES -4.0400000000e-05  3.1876000000e-03  2.1766000000e-03 -3.3355000000e-03 -2.9583000000e-03  3.9378000000e-03 -6.0116000000e-03  2.2053000000e-03 -4.1726000000e-03  1.2088100000e-02 -5.1291000000e-03 -1.1121300000e-02  2.0863000000e-03 -2.3127000000e-03  5.0530000000e-04 -4.7869000000e-03  5.0073000000e-03  8.6742000000e-03
-
-JOB 483
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0037800000e-01 -8.0323600000e-01  4.2522700000e-01 -4.8796200000e-01  3.2868000000e-02 -8.2282700000e-01 -3.4045690000e+00  1.0925860000e+00  2.4447760000e+00 -3.4986360000e+00  8.6034600000e-01  3.3685990000e+00 -2.4732200000e+00  1.2870250000e+00  2.3398310000e+00
-ENERGY -1.526557543425e+02
-FORCES -3.1706000000e-03 -3.7107000000e-03 -2.6831000000e-03  1.4443000000e-03  3.6690000000e-03 -1.3105000000e-03  2.3071000000e-03 -1.3240000000e-04  3.4243000000e-03  3.7643000000e-03  5.7530000000e-04  3.2070000000e-03  4.1880000000e-04  7.2020000000e-04 -3.7591000000e-03 -4.7639000000e-03 -1.1213000000e-03  1.1213000000e-03
-
-JOB 484
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3668100000e-01 -2.5595500000e-01  6.6735000000e-01  4.7999700000e-01  5.9817000000e-01 -5.7273700000e-01 -1.7794750000e+00  2.6327450000e+00 -1.8787430000e+00 -1.3736130000e+00  2.9075720000e+00 -1.0565650000e+00 -1.9872560000e+00  3.4513640000e+00 -2.3292110000e+00
-ENERGY -1.526543865288e+02
-FORCES  4.5716000000e-03  4.0350000000e-04 -7.7960000000e-04 -2.8026000000e-03  1.2608000000e-03 -2.7716000000e-03 -1.5953000000e-03 -1.9198000000e-03  3.8910000000e-03 -5.4130000000e-04  4.4035000000e-03  2.1179000000e-03 -5.3970000000e-04 -6.3290000000e-04 -4.4021000000e-03  9.0720000000e-04 -3.5151000000e-03  1.9444000000e-03
-
-JOB 485
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8828900000e-01  7.2269200000e-01 -5.9874500000e-01 -8.0183300000e-01 -1.0197100000e-01  5.1273600000e-01 -2.2907180000e+00 -2.4710300000e-01  1.4692130000e+00 -2.0574660000e+00  2.3850600000e-01  2.2604210000e+00 -1.8622000000e+00 -1.0965960000e+00  1.5739320000e+00
-ENERGY -1.526571764209e+02
-FORCES -1.5276500000e-02  2.7128000000e-03  4.9198000000e-03  6.7090000000e-04 -1.6782000000e-03  2.0062000000e-03  8.5542000000e-03 -6.5979000000e-03  6.0570000000e-04  3.8175000000e-03 -7.5750000000e-04  2.8009000000e-03 -9.0500000000e-05 -2.7077000000e-03 -5.5632000000e-03  2.3245000000e-03  9.0285000000e-03 -4.7694000000e-03
-
-JOB 486
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4185400000e-01  9.3932300000e-01  1.1739800000e-01 -2.7784800000e-01 -3.1030700000e-01  8.6182500000e-01  5.6399400000e-01  2.9315320000e+00  6.6702000000e-02  1.2860230000e+00  2.9442140000e+00  6.9498900000e-01  9.7307200000e-01  3.1398280000e+00 -7.7323800000e-01
-ENERGY -1.526612513442e+02
-FORCES -7.2810000000e-04  8.5705000000e-03  2.4216000000e-03  1.4180000000e-04 -1.1134800000e-02  8.1420000000e-04  1.4841000000e-03  1.7443000000e-03 -2.4038000000e-03  4.9892000000e-03  3.7238000000e-03 -2.4153000000e-03 -4.2386000000e-03 -1.8117000000e-03 -3.2119000000e-03 -1.6484000000e-03 -1.0921000000e-03  4.7953000000e-03
-
-JOB 487
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4870000000e-02 -5.9888000000e-01 -7.4629500000e-01  4.6747600000e-01 -4.8409200000e-01  6.8070000000e-01  1.3617730000e+00 -1.2112600000e+00  2.0171030000e+00  1.4532590000e+00 -2.1522900000e+00  2.1665160000e+00  1.7567750000e+00 -8.0615900000e-01  2.7891770000e+00
-ENERGY -1.526601588230e+02
-FORCES  7.2815000000e-03 -7.1597000000e-03  8.8852000000e-03  4.9990000000e-04  5.9350000000e-04  2.9642000000e-03 -4.5676000000e-03  3.0752000000e-03 -7.1385000000e-03 -2.1182000000e-03  2.7260000000e-03 -1.7625000000e-03  2.4100000000e-04  4.7560000000e-03 -9.6400000000e-05 -1.3366000000e-03 -3.9910000000e-03 -2.8520000000e-03
-
-JOB 488
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3220900000e-01 -8.9740300000e-01 -3.0564900000e-01 -5.3242200000e-01 -9.1587000000e-02  7.9017100000e-01 -2.8809360000e+00 -1.6118500000e-01 -1.6826430000e+00 -2.9211230000e+00 -9.2401900000e-01 -1.1058410000e+00 -3.5897730000e+00 -2.9797200000e-01 -2.3111900000e+00
-ENERGY -1.526518402299e+02
-FORCES -2.4248000000e-03 -2.8888000000e-03  5.1360000000e-04 -7.4300000000e-04  3.1544000000e-03  1.8886000000e-03  2.0778000000e-03 -4.0380000000e-04 -3.1216000000e-03 -2.7461000000e-03 -3.3707000000e-03 -4.5400000000e-05  3.2000000000e-04  2.7365000000e-03 -1.9264000000e-03  3.5160000000e-03  7.7250000000e-04  2.6912000000e-03
-
-JOB 489
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0784900000e-01  6.1853900000e-01 -5.2510100000e-01 -1.3616500000e-01 -7.5051700000e-01 -5.7828700000e-01  2.4822730000e+00 -1.2607310000e+00 -1.3783680000e+00  1.9407380000e+00 -9.5485700000e-01 -2.1059760000e+00  2.1224790000e+00 -2.1193660000e+00 -1.1558270000e+00
-ENERGY -1.526514118288e+02
-FORCES  6.8725000000e-03 -1.6263000000e-03 -4.6784000000e-03 -3.9562000000e-03 -1.2406000000e-03  7.9180000000e-04 -3.7690000000e-04  1.7074000000e-03  1.0004000000e-03 -3.6454000000e-03 -2.7490000000e-03  1.0210000000e-04  4.5600000000e-04 -5.2500000000e-05  4.5321000000e-03  6.5000000000e-04  3.9611000000e-03 -1.7480000000e-03
-
-JOB 490
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9760300000e-01 -7.1010900000e-01 -2.3419600000e-01 -8.1005200000e-01 -2.0409100000e-01 -4.6732800000e-01  7.2673600000e-01  4.2917200000e-01  2.6078260000e+00  6.9471100000e-01  1.3625510000e+00  2.8176150000e+00  4.6081900000e-01  3.8031900000e-01  1.6896040000e+00
-ENERGY -1.526610540190e+02
-FORCES -1.3186000000e-03 -2.4486000000e-03  2.8812000000e-03 -3.8848000000e-03  3.7746000000e-03  1.6655000000e-03  4.7633000000e-03  6.0800000000e-05  7.2200000000e-04 -4.7692000000e-03  8.8520000000e-04 -1.1998600000e-02 -5.2790000000e-04 -2.5693000000e-03 -1.4449000000e-03  5.7371000000e-03  2.9730000000e-04  8.1748000000e-03
-
-JOB 491
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2633700000e-01  2.1713100000e-01 -4.3157100000e-01 -8.1483000000e-02 -9.4837500000e-01 -1.0088400000e-01  2.8394650000e+00 -1.9152860000e+00  7.3248600000e-01  2.9569130000e+00 -1.0832930000e+00  1.1909890000e+00  2.5769560000e+00 -1.6660090000e+00 -1.5361900000e-01
-ENERGY -1.526531464006e+02
-FORCES  2.1137000000e-03 -3.8759000000e-03 -1.4270000000e-03 -2.0322000000e-03 -1.7261000000e-03  2.0911000000e-03  5.2420000000e-04  4.7743000000e-03 -7.7160000000e-04 -1.8690000000e-04  4.8885000000e-03 -3.4630000000e-04  1.2370000000e-04 -3.7195000000e-03 -2.7894000000e-03 -5.4250000000e-04 -3.4140000000e-04  3.2432000000e-03
-
-JOB 492
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7786300000e-01 -9.3775700000e-01  7.2174000000e-02  5.6004800000e-01  1.9653800000e-01  7.5096600000e-01 -1.1095320000e+00  1.5761500000e-01 -3.1761810000e+00 -1.5101010000e+00  9.0110400000e-01 -2.7256260000e+00 -1.7219120000e+00 -5.4375000000e-02 -3.8806550000e+00
-ENERGY -1.526546472400e+02
-FORCES  1.9434000000e-03 -4.3150000000e-03  2.2646000000e-03  7.5830000000e-04  3.9202000000e-03  1.1449000000e-03 -2.3763000000e-03 -6.6050000000e-04 -3.2671000000e-03 -3.5080000000e-03  3.4326000000e-03  4.3910000000e-04  5.4250000000e-04 -2.8518000000e-03 -3.7357000000e-03  2.6401000000e-03  4.7450000000e-04  3.1541000000e-03
-
-JOB 493
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1585300000e-01 -2.1470800000e-01  4.5223500000e-01 -9.1190000000e-03 -5.7556700000e-01 -7.6476900000e-01  2.8600470000e+00 -5.6792800000e-01  6.7980000000e-01  3.4158180000e+00 -8.7395700000e-01 -3.6927000000e-02  3.2935070000e+00  2.2381800000e-01  9.9836400000e-01
-ENERGY -1.526605104665e+02
-FORCES  9.1726000000e-03 -4.5366000000e-03  1.1370000000e-04 -8.8489000000e-03  2.8496000000e-03 -6.9370000000e-04 -3.9700000000e-04  1.8376000000e-03  1.7509000000e-03  4.3289000000e-03  2.2042000000e-03 -2.8186000000e-03 -2.1315000000e-03  1.6309000000e-03  3.4327000000e-03 -2.1241000000e-03 -3.9856000000e-03 -1.7850000000e-03
-
-JOB 494
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1297900000e-01  1.3364100000e-01 -7.2293100000e-01 -8.1841600000e-01  3.9276800000e-01 -3.0357900000e-01 -2.6043970000e+00 -1.3835810000e+00  9.8420400000e-01 -2.9282840000e+00 -2.2180590000e+00  1.3232830000e+00 -2.1031000000e+00 -1.6199810000e+00  2.0378800000e-01
-ENERGY -1.526554960483e+02
-FORCES -7.4730000000e-04  4.7402000000e-03 -2.2556000000e-03 -3.0138000000e-03 -1.1950000000e-03  3.2544000000e-03  4.1349000000e-03 -3.7342000000e-03 -4.5900000000e-04  3.3638000000e-03 -4.7126000000e-03 -8.0840000000e-04  1.4608000000e-03  3.0790000000e-03 -1.4494000000e-03 -5.1983000000e-03  1.8225000000e-03  1.7180000000e-03
-
-JOB 495
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1628300000e-01 -2.6276800000e-01  8.7241000000e-02 -1.2520900000e-01  1.2530000000e-01 -9.4066700000e-01 -5.8127600000e-01  5.6177500000e-01 -2.6738140000e+00 -1.7218000000e-02  1.3216610000e+00 -2.8174960000e+00 -1.4254650000e+00  9.3425400000e-01 -2.4191840000e+00
-ENERGY -1.526605554021e+02
-FORCES -3.9800000000e-05 -1.8410000000e-04 -1.3308600000e-02 -2.5159000000e-03  1.5107000000e-03 -1.4290000000e-03  9.1620000000e-04  1.1509000000e-03  1.1296800000e-02 -1.9846000000e-03  4.7200000000e-03  6.6080000000e-04 -2.5380000000e-03 -4.7520000000e-03  2.5129000000e-03  6.1622000000e-03 -2.4455000000e-03  2.6720000000e-04
-
-JOB 496
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7918400000e-01 -1.7838600000e-01 -3.3383300000e-01 -5.1794400000e-01 -7.5801100000e-01 -2.7089500000e-01  2.5639510000e+00  4.8195500000e-01 -5.4388500000e-01  3.2589250000e+00  1.0767000000e-01 -2.4480000000e-03  2.3862860000e+00  1.3359610000e+00 -1.4975200000e-01
-ENERGY -1.526606112004e+02
-FORCES  1.2512900000e-02  3.1580000000e-04 -4.1621000000e-03 -1.0396100000e-02 -1.2023000000e-03  2.7926000000e-03  4.1125000000e-03  1.5092000000e-03  1.4650000000e-04 -4.1015000000e-03  2.9114000000e-03  5.2890000000e-03 -3.9748000000e-03  1.8415000000e-03 -2.1992000000e-03  1.8470000000e-03 -5.3755000000e-03 -1.8667000000e-03
-
-JOB 497
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9886300000e-01  5.9478900000e-01 -5.5999400000e-01  6.3756600000e-01 -6.5629200000e-01  2.8110800000e-01 -1.5404260000e+00 -6.0861900000e-01 -2.4080530000e+00 -1.2313420000e+00 -3.2312900000e-01 -1.5482890000e+00 -2.2525880000e+00 -1.2188610000e+00 -2.2165820000e+00
-ENERGY -1.526607549682e+02
-FORCES  6.0951000000e-03 -2.0192000000e-03 -9.3120000000e-04 -4.3897000000e-03 -4.0559000000e-03  1.8197000000e-03 -2.4026000000e-03  3.7808000000e-03 -8.6290000000e-04  1.5664000000e-03 -5.3550000000e-04  9.7940000000e-03 -3.3477000000e-03  1.2107000000e-03 -9.4876000000e-03  2.4785000000e-03  1.6192000000e-03 -3.3200000000e-04
-
-JOB 498
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6789000000e-02 -8.2079400000e-01  4.9218700000e-01  2.6487000000e-02  6.8252700000e-01  6.7058700000e-01 -2.3724200000e+00  6.5656200000e-01 -1.2207230000e+00 -1.6195200000e+00  3.4662700000e-01 -7.1742100000e-01 -2.2129600000e+00  3.4076500000e-01 -2.1101480000e+00
-ENERGY -1.526606051517e+02
-FORCES -1.1139000000e-03  9.3750000000e-04  2.2213000000e-03 -1.0336000000e-03  4.9008000000e-03 -2.6594000000e-03 -1.9298000000e-03 -4.6647000000e-03 -3.9278000000e-03  1.4273500000e-02 -5.0158000000e-03  3.3200000000e-03 -9.6621000000e-03  3.3967000000e-03 -1.3962000000e-03 -5.3410000000e-04  4.4550000000e-04  2.4421000000e-03
-
-JOB 499
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0470600000e-01  7.0656000000e-02  7.3862700000e-01  2.2510400000e-01 -9.2958700000e-01 -3.7790000000e-02  1.1428840000e+00 -2.3863520000e+00 -6.0404700000e-01  2.5917100000e-01 -2.7309820000e+00 -4.7554200000e-01  1.2068330000e+00 -2.2354190000e+00 -1.5471070000e+00
-ENERGY -1.526552383896e+02
-FORCES  7.6174000000e-03 -1.0807000000e-02 -5.7700000000e-04  2.4740000000e-03 -3.2764000000e-03 -2.7632000000e-03 -1.0744400000e-02  2.7413000000e-03  7.1240000000e-04 -2.0034000000e-03  3.1720000000e-03 -5.3001000000e-03  3.5996000000e-03  9.3550000000e-03  2.2685000000e-03 -9.4320000000e-04 -1.1849000000e-03  5.6593000000e-03
-
-JOB 500
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4133400000e-01 -8.5671000000e-01  4.0287000000e-01 -4.7459000000e-01 -1.9064200000e-01 -8.0910600000e-01 -2.6967300000e-01  3.4105590000e+00 -2.2576340000e+00  2.5389500000e-01  2.7962520000e+00 -2.7721580000e+00  4.1201000000e-02  4.2749230000e+00 -2.5268260000e+00
-ENERGY -1.526535195652e+02
-FORCES -2.1210000000e-03 -3.8560000000e-03 -1.4976000000e-03 -4.8410000000e-04  3.6426000000e-03 -1.6249000000e-03  2.5859000000e-03  2.9800000000e-04  2.9916000000e-03  4.0952000000e-03  1.1367000000e-03 -2.4167000000e-03 -2.7273000000e-03  2.2620000000e-03  1.5412000000e-03 -1.3487000000e-03 -3.4833000000e-03  1.0064000000e-03
-
-JOB 501
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2846100000e-01 -4.2212000000e-01 -8.4943800000e-01 -8.6327500000e-01 -2.9715800000e-01  2.8754900000e-01  1.4489580000e+00 -1.7693600000e-01  2.3823320000e+00  1.0369160000e+00 -2.5738800000e-01  1.5221110000e+00  2.1042410000e+00  5.1187400000e-01  2.2710780000e+00
-ENERGY -1.526612555157e+02
-FORCES -1.9025000000e-03 -1.9097000000e-03 -1.7900000000e-04 -1.3125000000e-03  2.0871000000e-03  4.4049000000e-03  5.5852000000e-03  6.3070000000e-04 -1.6739000000e-03 -3.9312000000e-03  3.3069000000e-03 -1.2020300000e-02  3.0725000000e-03 -2.0322000000e-03  9.2922000000e-03 -1.5115000000e-03 -2.0828000000e-03  1.7610000000e-04
-
-JOB 502
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1139100000e-01 -3.8600000000e-03 -8.6427700000e-01 -9.3980900000e-01 -6.1830000000e-03 -1.8152700000e-01  2.3230110000e+00 -2.2828000000e-01  3.4125500000e+00  3.1281950000e+00 -4.7883100000e-01  3.8654680000e+00  1.9718390000e+00 -1.0518860000e+00  3.0740480000e+00
-ENERGY -1.526540328680e+02
-FORCES -2.1163000000e-03  8.5160000000e-04 -4.4101000000e-03 -1.8012000000e-03 -2.5820000000e-04  3.5253000000e-03  3.9306000000e-03 -1.6880000000e-04  7.5850000000e-04  9.7150000000e-04 -4.4024000000e-03 -4.9690000000e-04 -3.1792000000e-03  1.1290000000e-03 -1.8993000000e-03  2.1945000000e-03  2.8488000000e-03  2.5224000000e-03
-
-JOB 503
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6218900000e-01  6.2236600000e-01 -6.3064300000e-01  5.2934500000e-01  1.2152600000e-01  7.8819900000e-01  1.7052960000e+00 -2.1641180000e+00 -6.0143500000e-01  8.6885500000e-01 -1.7145050000e+00 -4.8124200000e-01  1.5451090000e+00 -2.7824700000e+00 -1.3143240000e+00
-ENERGY -1.526610788374e+02
-FORCES  6.4450000000e-03  3.5864000000e-03  3.3550000000e-04 -2.0573000000e-03 -3.0572000000e-03  3.0619000000e-03 -2.8272000000e-03 -1.3955000000e-03 -4.5562000000e-03 -8.2432000000e-03  5.2182000000e-03  3.8160000000e-04  7.3588000000e-03 -7.6207000000e-03 -1.2187000000e-03 -6.7610000000e-04  3.2688000000e-03  1.9960000000e-03
-
-JOB 504
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3382800000e-01  8.9524000000e-01 -5.7762000000e-02  5.9708600000e-01  1.4315000000e-02  7.4800800000e-01  4.1401300000e-01 -2.9981350000e+00  2.9388000000e-02  4.0142600000e-01 -2.1396240000e+00  4.5251000000e-01 -4.5421700000e-01 -3.3628910000e+00  2.0074000000e-01
-ENERGY -1.526544637303e+02
-FORCES  7.3270000000e-04  5.4125000000e-03  8.7800000000e-04  1.8102000000e-03 -3.9616000000e-03  1.9320000000e-04 -3.9289000000e-03 -4.4026000000e-03 -3.4993000000e-03 -5.9080000000e-03  5.9557000000e-03 -1.3240000000e-04  3.9700000000e-03 -3.4114000000e-03  3.0592000000e-03  3.3240000000e-03  4.0740000000e-04 -4.9870000000e-04
-
-JOB 505
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1013700000e-01  3.3759000000e-02  8.6422200000e-01  5.3716900000e-01  5.7667200000e-01 -5.4325900000e-01  1.3347030000e+00  1.7164320000e+00 -1.5038880000e+00  2.1580320000e+00  1.5396710000e+00 -1.0487880000e+00  1.5022740000e+00  1.4609740000e+00 -2.4110230000e+00
-ENERGY -1.526564344141e+02
-FORCES  7.8591000000e-03  1.3339100000e-02 -1.0137100000e-02  9.3380000000e-04  1.3135000000e-03 -3.9203000000e-03  9.7170000000e-04 -7.6082000000e-03  7.8052000000e-03 -1.6103000000e-03 -5.8479000000e-03  9.2780000000e-04 -7.9182000000e-03 -2.3766000000e-03 -3.7560000000e-04 -2.3600000000e-04  1.1800000000e-03  5.6999000000e-03
-
-JOB 506
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0123200000e-01  3.4105200000e-01 -6.6214500000e-01  5.2249300000e-01 -6.2928300000e-01  4.9722800000e-01  2.7421300000e-01 -3.9796250000e+00 -1.4146640000e+00 -2.5464600000e-01 -4.0479830000e+00 -2.2095650000e+00 -3.2451900000e-01 -3.6240650000e+00 -7.5790900000e-01
-ENERGY -1.526554088533e+02
-FORCES  5.5074000000e-03 -8.2780000000e-04 -1.0178000000e-03 -2.6520000000e-03 -9.7300000000e-04  2.8299000000e-03 -2.9267000000e-03  2.3261000000e-03 -1.7527000000e-03 -5.3717000000e-03  1.3683000000e-03 -9.4670000000e-04  2.2866000000e-03 -6.0000000000e-07  3.1093000000e-03  3.1565000000e-03 -1.8929000000e-03 -2.2219000000e-03
-
-JOB 507
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5608500000e-01 -3.5758000000e-02 -8.4079700000e-01 -3.2558700000e-01 -8.9002700000e-01  1.3445100000e-01  6.4417700000e-01  1.3388120000e+00  2.2481470000e+00  1.6003750000e+00  1.3768870000e+00  2.2697690000e+00  4.4230700000e-01  8.1586600000e-01  1.4722560000e+00
-ENERGY -1.526598730178e+02
-FORCES  2.5749000000e-03  1.7082000000e-03  2.8703000000e-03 -2.5959000000e-03 -1.4667000000e-03  4.0583000000e-03  2.5892000000e-03  4.7438000000e-03 -1.1732000000e-03 -1.2845000000e-03 -7.2821000000e-03 -1.3546200000e-02 -2.5256000000e-03 -4.3730000000e-04 -1.0478000000e-03  1.2419000000e-03  2.7342000000e-03  8.8386000000e-03
-
-JOB 508
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0647600000e-01  3.9070200000e-01 -8.4908800000e-01 -8.6415300000e-01  3.4770200000e-01  2.2039800000e-01 -2.5367010000e+00  6.5675000000e-01  6.1351100000e-01 -3.2842270000e+00  8.5022000000e-02  7.8833600000e-01 -2.9255940000e+00  1.5140970000e+00  4.4045200000e-01
-ENERGY -1.526596061708e+02
-FORCES -1.3912000000e-02  3.6730000000e-03  1.5417000000e-03 -1.7069000000e-03 -2.3630000000e-04  2.5401000000e-03  8.5132000000e-03  1.1600000000e-04 -2.1763000000e-03  3.7122000000e-03 -3.5175000000e-03 -1.3538000000e-03  1.8914000000e-03  4.7777000000e-03 -8.4270000000e-04  1.5021000000e-03 -4.8129000000e-03  2.9100000000e-04
-
-JOB 509
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0435800000e-01  7.9406000000e-02 -9.0404300000e-01  1.6386900000e-01  9.0113800000e-01  2.7808100000e-01  2.3627680000e+00  1.4257310000e+00  2.6173380000e+00  2.9434380000e+00  1.9285890000e+00  2.0462090000e+00  1.4840630000e+00  1.7373520000e+00  2.4005380000e+00
-ENERGY -1.526520312294e+02
-FORCES -3.7780000000e-04  3.5149000000e-03 -2.9780000000e-03  1.4853000000e-03 -4.1290000000e-04  3.9450000000e-03 -7.6050000000e-04 -2.7087000000e-03 -3.6200000000e-05 -7.0340000000e-04  2.5550000000e-03 -2.6168000000e-03 -2.8724000000e-03 -1.9477000000e-03  2.3067000000e-03  3.2288000000e-03 -1.0006000000e-03 -6.2070000000e-04
-
-JOB 510
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2992900000e-01 -4.5349600000e-01  7.2507600000e-01  4.8189200000e-01  7.1481400000e-01  4.1599600000e-01 -1.8281900000e+00  1.1571120000e+00 -1.5458060000e+00 -2.0856240000e+00  8.4364300000e-01 -2.4128100000e+00 -1.2126580000e+00  4.9786600000e-01 -1.2252650000e+00
-ENERGY -1.526600931997e+02
-FORCES -4.5254000000e-03  7.0867000000e-03  1.8100000000e-04  1.9145000000e-03  2.6325000000e-03 -3.8314000000e-03 -1.8735000000e-03 -4.6837000000e-03 -4.8960000000e-04  1.0167000000e-02 -6.6064000000e-03  7.0412000000e-03  2.5287000000e-03 -9.3550000000e-04  3.6727000000e-03 -8.2112000000e-03  2.5063000000e-03 -6.5740000000e-03
-
-JOB 511
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3815000000e-01 -8.1794300000e-01 -3.6449300000e-01 -2.6928000000e-01 -1.7082000000e-02  9.1838400000e-01 -2.0087510000e+00  1.6159320000e+00 -4.2638200000e-01 -1.4182000000e+00  2.3312790000e+00 -6.6251600000e-01 -1.4612990000e+00  8.3149400000e-01 -4.6081600000e-01
-ENERGY -1.526545864127e+02
-FORCES -6.7628000000e-03  4.8775000000e-03  3.1770000000e-03 -2.5915000000e-03  8.5497000000e-03  1.2053000000e-03 -2.1230000000e-04  1.8830000000e-04 -6.8175000000e-03  2.0178500000e-02 -9.9217000000e-03  7.2880000000e-04 -2.3676000000e-03 -7.1760000000e-04  9.3940000000e-04 -8.2442000000e-03 -2.9762000000e-03  7.6690000000e-04
-
-JOB 512
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0656400000e-01 -6.1042700000e-01  7.2955800000e-01 -9.3061900000e-01  2.2385400000e-01  8.3620000000e-03 -2.6858440000e+00  7.4055700000e-01  4.8733300000e-01 -3.3780900000e+00  1.2962040000e+00  8.4550100000e-01 -2.6908790000e+00  9.2615400000e-01 -4.5168800000e-01
-ENERGY -1.526567177603e+02
-FORCES -9.1453000000e-03  4.1780000000e-04  7.3427000000e-03  8.8930000000e-04  1.5321000000e-03 -2.2705000000e-03  1.5878000000e-03 -2.5500000000e-04 -8.5645000000e-03 -3.7590000000e-04  3.6272000000e-03  5.9700000000e-05  2.2427000000e-03 -2.7803000000e-03 -2.7297000000e-03  4.8014000000e-03 -2.5418000000e-03  6.1622000000e-03
-
-JOB 513
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4256700000e-01 -9.2085500000e-01 -9.7049000000e-02  4.2918500000e-01  2.2344700000e-01 -8.2589600000e-01  1.9356870000e+00  5.7943800000e-01 -1.8266450000e+00  2.1394250000e+00  1.4995550000e+00 -1.9942980000e+00  2.7073520000e+00  2.4175800000e-01 -1.3719610000e+00
-ENERGY -1.526602997428e+02
-FORCES  8.3884000000e-03  1.4155000000e-03 -1.0822700000e-02  2.1109000000e-03  2.6549000000e-03 -2.7160000000e-04 -7.6943000000e-03 -1.9129000000e-03  6.1080000000e-03  8.8770000000e-04  3.6350000000e-04  6.8768000000e-03 -7.1510000000e-04 -4.6582000000e-03  1.4890000000e-03 -2.9776000000e-03  2.1373000000e-03 -3.3795000000e-03
-
-JOB 514
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0550800000e-01 -8.6572700000e-01 -3.5286700000e-01  2.8504000000e-02 -1.2790000000e-01  9.4818800000e-01  4.5956000000e-02 -2.5911990000e+00 -1.1819820000e+00  1.0531000000e-01 -2.4812150000e+00 -2.1309880000e+00 -1.2149200000e-01 -3.5255380000e+00 -1.0586800000e+00
-ENERGY -1.526606406212e+02
-FORCES  2.8860000000e-04 -1.0711900000e-02 -6.0480000000e-04 -7.1070000000e-04  9.0411000000e-03  1.5969000000e-03 -2.6360000000e-04  2.2040000000e-04 -2.6050000000e-03  2.4810000000e-04 -1.3394000000e-03 -1.6578000000e-03 -9.3540000000e-04 -1.1560000000e-03  4.9528000000e-03  1.3730000000e-03  3.9459000000e-03 -1.6822000000e-03
-
-JOB 515
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0591600000e-01  8.4977400000e-01  4.2766500000e-01  8.5926400000e-01 -4.1508600000e-01  7.4835000000e-02  6.9008000000e-02  2.5620490000e+00  7.3026700000e-01  5.5362400000e-01  3.3639370000e+00  5.3442100000e-01 -4.5937100000e-01  2.7822700000e+00  1.4974370000e+00
-ENERGY -1.526588633826e+02
-FORCES  2.8583000000e-03  1.3949400000e-02  3.5063000000e-03 -1.9976000000e-03 -8.3238000000e-03  1.2338000000e-03 -1.9851000000e-03  2.4776000000e-03 -6.5800000000e-05  9.6500000000e-04 -4.1653000000e-03 -3.0950000000e-03 -3.3383000000e-03 -2.6349000000e-03  2.5367000000e-03  3.4977000000e-03 -1.3030000000e-03 -4.1160000000e-03
-
-JOB 516
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0882200000e-01 -6.3928100000e-01 -4.9865000000e-01 -9.0995400000e-01 -1.8160000000e-01 -2.3502600000e-01 -1.1575160000e+00  2.9376320000e+00  8.8705400000e-01 -3.8789100000e-01  2.7401710000e+00  3.5327700000e-01 -9.5881300000e-01  3.7821220000e+00  1.2915110000e+00
-ENERGY -1.526570965423e+02
-FORCES -2.9223000000e-03 -4.7095000000e-03 -2.0724000000e-03 -2.1708000000e-03  2.8662000000e-03  2.1630000000e-03  4.7517000000e-03  1.1680000000e-04  3.9100000000e-05  5.1562000000e-03  7.7260000000e-04 -4.3550000000e-04 -4.3220000000e-03  4.2428000000e-03  1.9267000000e-03 -4.9280000000e-04 -3.2889000000e-03 -1.6209000000e-03
-
-JOB 517
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7358300000e-01 -3.5893100000e-01  8.0488200000e-01  2.2884100000e-01 -6.3782300000e-01 -6.7605100000e-01  7.8074400000e-01 -1.0614920000e+00 -2.3987900000e+00  1.2419220000e+00 -2.2276200000e-01 -2.3899410000e+00  1.4733150000e+00 -1.7170610000e+00 -2.3162940000e+00
-ENERGY -1.526594161608e+02
-FORCES  2.0032000000e-03 -7.8976000000e-03 -9.2970000000e-03 -9.3800000000e-05 -9.2700000000e-05 -4.2268000000e-03  1.0876000000e-03  6.0301000000e-03  9.4387000000e-03  3.7319000000e-03  4.1029000000e-03  2.0110000000e-04 -2.7627000000e-03 -6.1028000000e-03  1.8767000000e-03 -3.9663000000e-03  3.9601000000e-03  2.0072000000e-03
-
-JOB 518
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7122200000e-01 -7.5663000000e-01 -5.1979100000e-01  8.7028200000e-01 -2.3131800000e-01  3.2455100000e-01 -1.3951090000e+00  1.8085790000e+00 -1.8350290000e+00 -1.8901610000e+00  1.9591430000e+00 -1.0297430000e+00 -7.4438100000e-01  1.1482550000e+00 -1.5967910000e+00
-ENERGY -1.526587375096e+02
-FORCES  2.8515000000e-03 -3.5177000000e-03  1.3510000000e-03  1.4976000000e-03  6.3606000000e-03  6.3440000000e-04 -4.4908000000e-03  3.7900000000e-04 -1.6468000000e-03  4.4464000000e-03 -3.6356000000e-03  9.8343000000e-03 -2.5920000000e-04  5.0230000000e-04 -3.5667000000e-03 -4.0455000000e-03 -8.8600000000e-05 -6.6061000000e-03
-
-JOB 519
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4954900000e-01  1.0414200000e-01 -8.3862500000e-01 -4.9592600000e-01 -8.1342000000e-01 -9.2936000000e-02 -4.0949700000e-01  2.6148460000e+00  2.2782100000e-01 -1.7517100000e-01  1.7013450000e+00  6.3997000000e-02 -1.0663680000e+00  2.5731790000e+00  9.2281400000e-01
-ENERGY -1.526560347984e+02
-FORCES -4.5341000000e-03  5.8740000000e-03 -1.0110000000e-03 -4.4245000000e-03  3.2393000000e-03  6.0792000000e-03  3.7043000000e-03  3.3193000000e-03 -2.6720000000e-04 -1.1626000000e-03 -1.7950800000e-02  3.0542000000e-03  5.3653000000e-03  4.5394000000e-03 -6.2567000000e-03  1.0517000000e-03  9.7880000000e-04 -1.5986000000e-03
-
-JOB 520
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2169700000e-01 -6.4499700000e-01  6.2985800000e-01 -1.3770700000e-01 -4.9886600000e-01 -8.0523400000e-01 -6.7595400000e-01 -9.5232200000e-01 -2.4142200000e+00 -1.5910600000e+00 -1.2120120000e+00 -2.5208660000e+00 -6.3624500000e-01 -6.3100000000e-02 -2.7662730000e+00
-ENERGY -1.526605014345e+02
-FORCES -3.0289000000e-03 -8.2476000000e-03 -1.2626300000e-02 -1.6593000000e-03  5.6720000000e-04 -3.1220000000e-03  3.4846000000e-03  6.5081000000e-03  8.0967000000e-03 -3.0018000000e-03  4.6327000000e-03  4.0460000000e-03  4.6294000000e-03  1.8309000000e-03 -5.2000000000e-05 -4.2400000000e-04 -5.2914000000e-03  3.6576000000e-03
-
-JOB 521
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9676200000e-01 -4.4429500000e-01  8.2469300000e-01 -4.1443500000e-01 -6.7171500000e-01 -5.4154800000e-01 -4.5665800000e-01  2.3679020000e+00  1.5157200000e+00 -1.3807900000e-01  1.4906600000e+00  1.7282880000e+00 -1.7921300000e-01  2.5112700000e+00  6.1089800000e-01
-ENERGY -1.526536263928e+02
-FORCES -2.7687000000e-03 -2.9492000000e-03  1.8412000000e-03 -1.2967000000e-03  5.5664000000e-03 -1.8614000000e-03  2.0356000000e-03  3.1123000000e-03  2.5073000000e-03  2.0159000000e-03 -8.6055000000e-03 -9.4599000000e-03  8.1700000000e-04 -8.1100000000e-04  3.4690000000e-03 -8.0310000000e-04  3.6870000000e-03  3.5038000000e-03
-
-JOB 522
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7591400000e-01 -4.1395800000e-01  5.3666600000e-01 -3.2453100000e-01 -7.0359300000e-01 -5.6202100000e-01  2.1602310000e+00  4.0682900000e-01  1.9548350000e+00  1.9559130000e+00 -5.2753100000e-01  1.9930170000e+00  1.5522510000e+00  8.1093000000e-01  2.5739430000e+00
-ENERGY -1.526522871873e+02
-FORCES  4.8967000000e-03 -9.4560000000e-04  1.0172000000e-03 -4.0639000000e-03 -4.3516000000e-03  5.4520000000e-04  2.5556000000e-03  2.5651000000e-03  3.2066000000e-03 -3.9628000000e-03  8.0020000000e-04  3.9113000000e-03 -3.0165000000e-03  4.5030000000e-03 -6.0336000000e-03  3.5910000000e-03 -2.5711000000e-03 -2.6466000000e-03
-
-JOB 523
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6871300000e-01  3.4665400000e-01 -2.0347200000e-01  5.4722600000e-01  7.7674300000e-01  1.1595700000e-01 -2.2562310000e+00  1.9972310000e+00 -1.2872990000e+00 -2.9534750000e+00  1.3562540000e+00 -1.1486230000e+00 -2.2840580000e+00  2.5542000000e+00 -5.0932500000e-01
-ENERGY -1.526569115440e+02
-FORCES -2.4255000000e-03  7.1366000000e-03 -3.7753000000e-03  2.6000000000e-03 -4.8545000000e-03  4.5869000000e-03 -1.3491000000e-03 -3.0258000000e-03  7.7070000000e-04 -5.6919000000e-03  2.6941000000e-03  1.0833000000e-03  5.4152000000e-03  2.0916000000e-03  5.9830000000e-04  1.4513000000e-03 -4.0420000000e-03 -3.2640000000e-03
-
-JOB 524
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7212800000e-01 -4.0379000000e-02  3.9242100000e-01 -5.3321000000e-02  7.1873500000e-01 -6.2992700000e-01 -1.2583680000e+00  2.4971040000e+00  2.0718020000e+00 -1.9058470000e+00  2.1791110000e+00  2.7009940000e+00 -6.6203000000e-01  1.7587980000e+00  1.9472360000e+00
-ENERGY -1.526567405457e+02
-FORCES -4.4460000000e-03  2.1288000000e-03 -4.3203000000e-03  4.9923000000e-03  7.7430000000e-04  7.2750000000e-04  7.8690000000e-04 -3.6213000000e-03  3.1000000000e-03  1.5705000000e-03 -3.4451000000e-03  3.1992000000e-03  2.5992000000e-03  6.6470000000e-04 -3.2609000000e-03 -5.5029000000e-03  3.4986000000e-03  5.5450000000e-04
-
-JOB 525
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2618100000e-01 -7.4142700000e-01 -2.9941900000e-01 -6.0335600000e-01  7.4299500000e-01 -1.2311000000e-02 -2.6007640000e+00  3.0358410000e+00 -1.2486600000e+00 -2.5121650000e+00  2.6653360000e+00 -3.7053200000e-01 -2.9518060000e+00  3.9145340000e+00 -1.1040960000e+00
-ENERGY -1.526535186225e+02
-FORCES -4.3372000000e-03 -6.0000000000e-06 -2.6537000000e-03  2.2116000000e-03  2.9734000000e-03  1.6796000000e-03  1.5618000000e-03 -2.7486000000e-03  1.6528000000e-03 -1.8979000000e-03  3.7642000000e-03  3.9178000000e-03  1.1093000000e-03 -1.1530000000e-04 -3.9006000000e-03  1.3524000000e-03 -3.8676000000e-03 -6.9590000000e-04
-
-JOB 526
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8716900000e-01  2.0563700000e-01 -8.8965100000e-01 -2.1118100000e-01 -9.2685500000e-01  1.1213900000e-01 -1.7686100000e+00  1.0595880000e+00 -1.9684050000e+00 -1.1134580000e+00  1.6489490000e+00 -2.3421170000e+00 -1.6188320000e+00  2.2349400000e-01 -2.4097030000e+00
-ENERGY -1.526524567479e+02
-FORCES -8.9507000000e-03  1.9199000000e-03 -5.8675000000e-03  6.5226000000e-03 -4.1897000000e-03 -9.3430000000e-04  2.9440000000e-04  3.4337000000e-03 -1.5903000000e-03  7.6130000000e-04  7.5340000000e-04 -2.1560000000e-03 -1.8549000000e-03 -5.3613000000e-03  3.8807000000e-03  3.2273000000e-03  3.4440000000e-03  6.6674000000e-03
-
-JOB 527
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0531200000e-01  8.2714700000e-01  2.6034900000e-01 -9.0848000000e-01  2.2912400000e-01 -1.9595600000e-01 -2.5358350000e+00 -2.1120600000e-01 -1.7849850000e+00 -2.9465200000e+00  2.2808300000e-01 -2.5296970000e+00 -3.2348360000e+00 -7.4338400000e-01 -1.4049660000e+00
-ENERGY -1.526584537524e+02
-FORCES -4.6206000000e-03  3.2788000000e-03 -2.8754000000e-03 -1.6718000000e-03 -2.7618000000e-03 -1.2669000000e-03  6.1869000000e-03 -1.1020000000e-04  6.1382000000e-03 -4.4708000000e-03 -1.2154000000e-03 -4.0341000000e-03  1.2366000000e-03 -2.3198000000e-03  3.3459000000e-03  3.3397000000e-03  3.1284000000e-03 -1.3076000000e-03
-
-JOB 528
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5451000000e-01 -5.8298900000e-01 -8.4081000000e-02 -3.4368500000e-01  7.7465000000e-01  4.4500500000e-01 -5.1917000000e-01  1.9028990000e+00  1.9168960000e+00  1.1156600000e-01  1.7783530000e+00  2.6260450000e+00 -4.7749000000e-01  2.8387550000e+00  1.7202540000e+00
-ENERGY -1.526606741180e+02
-FORCES -4.8607000000e-03  7.9489000000e-03  8.8786000000e-03  1.9367000000e-03  2.2878000000e-03  9.4260000000e-04  1.0956000000e-03 -5.4123000000e-03 -8.4958000000e-03  5.0151000000e-03 -2.1454000000e-03  1.0584000000e-03 -3.6037000000e-03  2.5667000000e-03 -2.7209000000e-03  4.1700000000e-04 -5.2457000000e-03  3.3700000000e-04
-
-JOB 529
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2985500000e-01  6.4774000000e-02 -2.1772900000e-01 -2.3427300000e-01 -9.0305200000e-01 -2.1411600000e-01  2.5490910000e+00 -2.1383100000e-01 -6.1208900000e-01  2.4967790000e+00 -3.0704400000e-01 -1.5633020000e+00  2.9540320000e+00  6.4288100000e-01 -4.7681300000e-01
-ENERGY -1.526572252122e+02
-FORCES  2.0735600000e-02 -5.2087000000e-03 -3.5755000000e-03 -8.2847000000e-03  4.6204000000e-03 -5.0130000000e-04  7.5470000000e-04  2.3121000000e-03 -5.5960000000e-04 -6.3893000000e-03  1.8767000000e-03 -5.1490000000e-04 -1.7489000000e-03  1.0373000000e-03  6.2676000000e-03 -5.0675000000e-03 -4.6378000000e-03 -1.1163000000e-03
-
-JOB 530
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6345000000e-02  3.4761900000e-01 -8.9145900000e-01 -7.6604700000e-01 -5.7103500000e-01  5.7652000000e-02  1.9523620000e+00 -1.7363190000e+00  8.7206600000e-01  1.7195960000e+00 -8.5289000000e-01  5.8640300000e-01  1.1336520000e+00 -2.2293560000e+00  8.1857800000e-01
-ENERGY -1.526566996052e+02
-FORCES -5.9890000000e-04 -4.9084000000e-03 -1.0403000000e-03  6.8090000000e-04 -2.3490000000e-03  4.5382000000e-03  4.2011000000e-03  1.7906000000e-03 -6.3070000000e-04 -1.2324100000e-02  8.6362000000e-03 -4.8148000000e-03  6.8155000000e-03 -2.1609000000e-03  1.2208000000e-03  1.2255000000e-03 -1.0085000000e-03  7.2680000000e-04
-
-JOB 531
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8586200000e-01 -4.8782300000e-01 -2.4633600000e-01 -2.3769000000e-01 -3.4633600000e-01  8.6010900000e-01  1.3161450000e+00  2.1228940000e+00  1.8566280000e+00  1.5146890000e+00  2.0679160000e+00  9.2186100000e-01  1.6150880000e+00  1.2871790000e+00  2.2150210000e+00
-ENERGY -1.526538189577e+02
-FORCES -1.4140000000e-04 -2.8933000000e-03  4.0465000000e-03 -2.2691000000e-03  3.9100000000e-03  2.0418000000e-03  2.0576000000e-03  4.2060000000e-04 -3.8494000000e-03 -6.7660000000e-04 -5.5916000000e-03 -6.1420000000e-03  2.3645000000e-03  1.9039000000e-03  4.4009000000e-03 -1.3350000000e-03  2.2503000000e-03 -4.9780000000e-04
-
-JOB 532
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2159600000e-01  7.4148000000e-01  5.1284900000e-01 -1.4725000000e-02  3.1007700000e-01 -9.0546500000e-01 -1.3818540000e+00  1.9956770000e+00  2.0153380000e+00 -2.3064990000e+00  1.9115310000e+00  1.7825640000e+00 -1.0166600000e+00  2.5713650000e+00  1.3434380000e+00
-ENERGY -1.526562375498e+02
-FORCES -2.4842000000e-03  4.0534000000e-03  2.3795000000e-03  3.6776000000e-03 -1.3164000000e-03 -7.9228000000e-03 -5.9960000000e-04 -9.0600000000e-05  4.1064000000e-03 -5.3829000000e-03  3.9000000000e-03 -2.4290000000e-04  5.1027000000e-03  7.3390000000e-04  6.6750000000e-04 -3.1350000000e-04 -7.2803000000e-03  1.0123000000e-03
-
-JOB 533
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7094300000e-01  6.4313900000e-01 -6.0415600000e-01 -4.3366300000e-01 -8.2211700000e-01 -2.2867400000e-01 -1.6675180000e+00 -1.8905860000e+00 -1.0237240000e+00 -1.7315960000e+00 -2.3649680000e+00 -1.9481600000e-01 -1.0819730000e+00 -2.4241910000e+00 -1.5609710000e+00
-ENERGY -1.526570192284e+02
-FORCES -1.3039100000e-02 -8.4533000000e-03 -9.5919000000e-03  2.1905000000e-03 -4.1380000000e-04  1.7214000000e-03  6.4737000000e-03 -7.7180000000e-04  6.4736000000e-03  1.8847000000e-03 -5.0920000000e-04  1.0755000000e-03  4.2684000000e-03  5.5705000000e-03 -4.3067000000e-03 -1.7783000000e-03  4.5776000000e-03  4.6282000000e-03
-
-JOB 534
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3520000000e-02 -8.4402800000e-01 -4.5088300000e-01  9.2623900000e-01  2.4129400000e-01  9.4750000000e-03 -1.0854830000e+00 -1.0769930000e+00  2.2499040000e+00 -8.7597900000e-01 -8.2394300000e-01  1.3508460000e+00 -1.9937670000e+00 -1.3763570000e+00  2.2094980000e+00
-ENERGY -1.526573620178e+02
-FORCES  4.5555000000e-03 -1.2280000000e-03  4.2023000000e-03 -2.5210000000e-03  3.5731000000e-03  6.9109000000e-03 -4.4904000000e-03 -1.5764000000e-03 -1.9037000000e-03  3.6973000000e-03  7.3278000000e-03 -9.7631000000e-03 -4.7888000000e-03 -9.4096000000e-03  2.8737000000e-03  3.5474000000e-03  1.3131000000e-03 -2.3201000000e-03
-
-JOB 535
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0589900000e-01  3.7655100000e-01  8.5559700000e-01 -1.4375500000e-01  7.5748300000e-01 -5.6726200000e-01 -2.4139870000e+00 -9.1754300000e-01  8.1896000000e-01 -1.5298510000e+00 -6.9313100000e-01  5.2883300000e-01 -2.5876870000e+00 -1.7707860000e+00  4.2142300000e-01
-ENERGY -1.526605282548e+02
-FORCES -4.0894000000e-03  3.4065000000e-03  1.0527000000e-03 -3.8313000000e-03 -2.9269000000e-03 -4.9762000000e-03  9.9290000000e-04 -3.8135000000e-03  3.6948000000e-03  1.4059800000e-02  2.5077000000e-03 -6.8978000000e-03 -8.5959000000e-03 -1.8731000000e-03  6.7043000000e-03  1.4640000000e-03  2.6992000000e-03  4.2230000000e-04
-
-JOB 536
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6000400000e-01  1.7505500000e-01 -3.8207400000e-01  5.0170700000e-01 -3.9899900000e-01 -7.1086000000e-01 -1.9631510000e+00  2.6045070000e+00 -3.2265900000e-01 -1.2236580000e+00  2.9069240000e+00  2.0452800000e-01 -2.1490570000e+00  3.3327600000e+00 -9.1538000000e-01
-ENERGY -1.526585636111e+02
-FORCES -3.2612000000e-03  2.3400000000e-05 -4.8327000000e-03  5.4982000000e-03 -3.7592000000e-03  1.9310000000e-03 -1.8879000000e-03  1.6233000000e-03  2.5457000000e-03  2.8822000000e-03  5.2083000000e-03  6.3290000000e-04 -4.3142000000e-03 -1.9850000000e-04 -2.7356000000e-03  1.0830000000e-03 -2.8971000000e-03  2.4587000000e-03
-
-JOB 537
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5882000000e-02 -8.4039000000e-01  4.5481200000e-01 -7.6049900000e-01  9.3770000000e-03 -5.8119300000e-01  1.9109420000e+00 -2.3407830000e+00 -1.2491470000e+00  2.4945860000e+00 -3.0072620000e+00 -1.6116350000e+00  1.0634650000e+00 -2.7793200000e+00 -1.1736520000e+00
-ENERGY -1.526518499359e+02
-FORCES -1.1466000000e-03 -3.5932000000e-03 -9.4480000000e-04 -1.2779000000e-03  2.8628000000e-03 -2.0332000000e-03  3.0177000000e-03 -5.3070000000e-04  2.3947000000e-03 -9.1590000000e-04 -4.1379000000e-03 -1.8338000000e-03 -2.5865000000e-03  3.3962000000e-03  1.5397000000e-03  2.9093000000e-03  2.0028000000e-03  8.7750000000e-04
-
-JOB 538
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.1714600000e-01  4.7809800000e-01  1.4116100000e-01  4.9982600000e-01  1.3615200000e-01  8.0490300000e-01 -6.6988000000e-02  3.3706870000e+00 -8.2148500000e-01  6.1044400000e-01  2.8840140000e+00 -3.5194600000e-01 -3.0706500000e-01  2.8024050000e+00 -1.5533670000e+00
-ENERGY -1.526566682410e+02
-FORCES -2.6587000000e-03  9.5470000000e-04  5.0962000000e-03  4.3069000000e-03 -2.2808000000e-03 -1.4216000000e-03 -1.6161000000e-03  3.9690000000e-04 -4.0579000000e-03  3.3817000000e-03 -5.5430000000e-03 -2.5091000000e-03 -2.9547000000e-03  3.2528000000e-03 -1.4420000000e-04 -4.5910000000e-04  3.2193000000e-03  3.0367000000e-03
-
-JOB 539
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1493700000e-01  5.5818400000e-01 -7.6905900000e-01  2.9146300000e-01  5.4030200000e-01  7.3440800000e-01  1.7690950000e+00 -2.2400870000e+00 -2.6301000000e-01  2.5940290000e+00 -2.0912950000e+00 -7.2515300000e-01  1.3462830000e+00 -1.3815350000e+00 -2.4425100000e-01
-ENERGY -1.526598783686e+02
-FORCES -1.5278000000e-03  4.5081000000e-03  9.4920000000e-04  1.4750000000e-03 -3.9462000000e-03  4.2786000000e-03 -3.8560000000e-04 -3.1579000000e-03 -4.7914000000e-03 -5.3383000000e-03  8.2586000000e-03  7.0700000000e-05 -3.4803000000e-03  1.1620000000e-03  1.3718000000e-03  9.2570000000e-03 -6.8245000000e-03 -1.8789000000e-03
-
-JOB 540
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1833400000e-01  1.4205000000e-01  9.2107800000e-01 -7.5957400000e-01 -5.8211800000e-01  2.0427000000e-02 -1.4319050000e+00 -2.3372480000e+00  7.6519900000e-01 -1.8468020000e+00 -2.2358530000e+00  1.6218270000e+00 -2.1536000000e+00 -2.5465930000e+00  1.7227200000e-01
-ENERGY -1.526574734504e+02
-FORCES -4.9051000000e-03 -1.0772700000e-02  6.6509000000e-03 -3.7250000000e-04  7.7850000000e-04 -2.3348000000e-03  7.0100000000e-04  7.5188000000e-03 -4.2875000000e-03 -2.2479000000e-03 -1.5324000000e-03  1.9180000000e-03  2.5031000000e-03  5.4870000000e-04 -4.6846000000e-03  4.3214000000e-03  3.4591000000e-03  2.7380000000e-03
-
-JOB 541
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1135400000e-01  1.0014200000e-01  7.2969100000e-01 -5.0704700000e-01  2.4669000000e-01 -7.7348500000e-01  5.1780800000e-01 -1.2048200000e-01  2.7184450000e+00  7.2009900000e-01  8.1256000000e-01  2.6495680000e+00  1.0673550000e+00 -4.3276500000e-01  3.4372710000e+00
-ENERGY -1.526553669955e+02
-FORCES -3.3472000000e-03 -1.5133000000e-03  4.5244000000e-03  8.9230000000e-04  3.2490000000e-03 -5.8203000000e-03  2.2348000000e-03 -9.8110000000e-04  4.0928000000e-03  4.8302000000e-03  1.3589000000e-03 -7.6580000000e-04 -3.0025000000e-03 -3.9046000000e-03  9.9270000000e-04 -1.6075000000e-03  1.7910000000e-03 -3.0238000000e-03
-
-JOB 542
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2925700000e-01 -2.2515700000e-01 -4.4926000000e-02  2.5135300000e-01 -1.9716300000e-01  9.0231900000e-01  8.3166000000e-01 -1.6568470000e+00 -2.0451930000e+00  2.9073300000e-01 -2.4233480000e+00 -1.8551780000e+00  5.2117300000e-01 -9.8701300000e-01 -1.4359700000e+00
-ENERGY -1.526587123395e+02
-FORCES  1.0866000000e-03 -3.9567000000e-03  2.0546000000e-03  6.3590000000e-03 -1.2671000000e-03 -1.3638000000e-03 -2.9664000000e-03  1.1060000000e-03 -4.1340000000e-03 -4.0552000000e-03  7.0418000000e-03  1.1666800000e-02  7.9500000000e-04  2.7734000000e-03  1.5360000000e-04 -1.2189000000e-03 -5.6974000000e-03 -8.3772000000e-03
-
-JOB 543
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2252800000e-01 -4.7137800000e-01 -1.3222200000e-01 -6.1497000000e-02  5.9060700000e-01 -7.5075500000e-01  4.3166800000e-01  1.2734960000e+00  2.2963970000e+00  3.4547200000e-01  5.2335400000e-01  1.7081050000e+00  3.2043700000e-01  9.0515100000e-01  3.1728570000e+00
-ENERGY -1.526575048302e+02
-FORCES  1.7340000000e-03  8.3508000000e-03  1.0658000000e-03 -4.0564000000e-03  3.4907000000e-03  4.0083000000e-03  9.0920000000e-04 -4.5982000000e-03  1.9175000000e-03 -4.1095000000e-03 -6.3499000000e-03 -1.1068400000e-02  5.4699000000e-03  5.9400000000e-05  8.7821000000e-03  5.2800000000e-05 -9.5290000000e-04 -4.7054000000e-03
-
-JOB 544
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5761400000e-01  4.6392500000e-01 -7.0113800000e-01  2.8357700000e-01  4.3795900000e-01  8.0250100000e-01  1.0615470000e+00 -3.2795660000e+00 -6.4857100000e-01  2.5680800000e-01 -3.7616740000e+00 -4.5831200000e-01  7.7171400000e-01 -2.5167490000e+00 -1.1489100000e+00
-ENERGY -1.526557952090e+02
-FORCES  3.5759000000e-03  4.2144000000e-03  2.6167000000e-03 -1.9584000000e-03 -3.1585000000e-03  2.3372000000e-03 -1.5879000000e-03 -1.0389000000e-03 -3.5922000000e-03 -5.7611000000e-03  3.5997000000e-03  2.1040000000e-04  3.2700000000e-03  9.6100000000e-04 -8.7230000000e-04  2.4615000000e-03 -4.5776000000e-03 -6.9980000000e-04
-
-JOB 545
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2953400000e-01 -1.5264600000e-01 -4.5255200000e-01 -1.2516100000e-01 -3.8563000000e-01  8.6709600000e-01 -1.8665430000e+00 -1.1763390000e+00 -1.6757210000e+00 -1.9897150000e+00 -8.2583600000e-01 -2.5578820000e+00 -1.4837260000e+00 -2.0428400000e+00 -1.8130520000e+00
-ENERGY -1.526603120837e+02
-FORCES -9.9802000000e-03 -5.2533000000e-03 -5.3121000000e-03  5.9055000000e-03  5.0331000000e-03  6.0491000000e-03  6.8200000000e-05  1.5710000000e-04 -3.2517000000e-03  5.9194000000e-03 -1.6694000000e-03 -1.5014000000e-03  1.1147000000e-03 -2.0149000000e-03  4.2097000000e-03 -3.0276000000e-03  3.7475000000e-03 -1.9360000000e-04
-
-JOB 546
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.5672200000e-01  3.2183700000e-01 -8.8774500000e-01 -9.0012700000e-01  2.6109200000e-01  1.9451000000e-01  3.1331830000e+00 -5.5420100000e-01  1.3259420000e+00  2.4064050000e+00 -1.1770960000e+00  1.3310940000e+00  3.2192520000e+00 -2.7829100000e-01  2.2384650000e+00
-ENERGY -1.526557246330e+02
-FORCES -2.2889000000e-03  3.5047000000e-03 -3.6960000000e-03 -1.6395000000e-03 -1.5406000000e-03  3.5038000000e-03  3.8797000000e-03 -1.0666000000e-03 -5.6620000000e-04 -5.2995000000e-03 -6.8490000000e-04  2.8510000000e-03  5.3055000000e-03  8.8730000000e-04  1.1251000000e-03  4.2700000000e-05 -1.0999000000e-03 -3.2176000000e-03
-
-JOB 547
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2687500000e-01  5.0049300000e-01  8.0600300000e-01  1.6400600000e-01 -8.9516500000e-01  2.9667000000e-01  5.6583800000e-01  1.1110070000e+00 -3.0227350000e+00  5.7850100000e-01  3.2359700000e-01 -2.4786230000e+00  1.4789170000e+00  1.3966960000e+00 -3.0527340000e+00
-ENERGY -1.526567381348e+02
-FORCES -1.2224000000e-03  6.3010000000e-04  6.1430000000e-03  6.9670000000e-04 -3.0125000000e-03 -2.7625000000e-03 -2.0850000000e-04  4.0196000000e-03 -2.3701000000e-03  2.5365000000e-03 -2.5181000000e-03  5.6986000000e-03  1.3680000000e-03  1.7233000000e-03 -6.5022000000e-03 -3.1703000000e-03 -8.4230000000e-04 -2.0680000000e-04
-
-JOB 548
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0151600000e-01 -9.0738500000e-01  4.4403000000e-02  2.5525900000e-01  2.1227500000e-01  8.9778300000e-01 -6.4404500000e-01 -2.5767600000e+00  4.2857700000e-01 -1.4661600000e-01 -2.7989390000e+00  1.2156180000e+00 -1.5314910000e+00 -2.4081540000e+00  7.4518800000e-01
-ENERGY -1.526574412311e+02
-FORCES -2.4089000000e-03 -1.7537800000e-02  3.9341000000e-03 -1.6635000000e-03  1.0184500000e-02  2.3350000000e-04 -1.0322000000e-03 -1.7321000000e-03 -1.9230000000e-03  1.6596000000e-03  4.0752000000e-03  3.4379000000e-03 -3.3566000000e-03  2.7721000000e-03 -3.7750000000e-03  6.8015000000e-03  2.2381000000e-03 -1.9075000000e-03
-
-JOB 549
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3184000000e-02  8.0509100000e-01 -5.1254700000e-01  7.3585600000e-01 -5.3807400000e-01 -2.9193200000e-01  1.4580010000e+00 -2.6578610000e+00  2.6456800000e-01  6.4780300000e-01 -2.9538060000e+00  6.7957100000e-01  1.8016900000e+00 -3.4365690000e+00 -1.7329400000e-01
-ENERGY -1.526602736494e+02
-FORCES  4.8826000000e-03 -1.6818000000e-03 -2.3270000000e-03  3.5930000000e-04 -3.3099000000e-03  1.4426000000e-03 -5.4472000000e-03  7.1107000000e-03 -4.1800000000e-05 -2.5549000000e-03 -5.5293000000e-03  1.2979000000e-03  4.5375000000e-03  3.0910000000e-04 -2.4479000000e-03 -1.7774000000e-03  3.1013000000e-03  2.0762000000e-03
-
-JOB 550
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7908400000e-01 -1.3636700000e-01  3.5333800000e-01 -5.4453700000e-01 -6.4072400000e-01  4.5736600000e-01 -9.3058200000e-01  1.1684460000e+00 -2.2829990000e+00 -4.8268400000e-01  8.0139600000e-01 -1.5208360000e+00 -2.8795400000e-01  1.7574500000e+00 -2.6783910000e+00
-ENERGY -1.526604949271e+02
-FORCES -2.1443000000e-03 -4.7370000000e-04 -2.7417000000e-03 -4.5597000000e-03  8.1400000000e-05 -1.0369000000e-03  4.2761000000e-03  2.6465000000e-03 -9.7590000000e-04  5.9705000000e-03 -4.3881000000e-03  1.0555800000e-02 -2.7435000000e-03  4.3337000000e-03 -8.0044000000e-03 -7.9910000000e-04 -2.1998000000e-03  2.2032000000e-03
-
-JOB 551
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5867800000e-01 -6.3513800000e-01 -6.6777000000e-01 -5.4075300000e-01 -2.1663800000e-01  7.5953000000e-01  8.2491500000e-01  1.8139140000e+00 -1.9416870000e+00  3.5511000000e-01  1.4194540000e+00 -1.2068970000e+00  1.3571300000e-01  2.1518340000e+00 -2.5135640000e+00
-ENERGY -1.526600888405e+02
-FORCES -8.3000000000e-04 -2.4550000000e-03 -3.9420000000e-04 -7.9800000000e-05  4.7701000000e-03  3.5882000000e-03  2.3277000000e-03 -1.0790000000e-04 -4.3356000000e-03 -4.5561000000e-03 -3.7113000000e-03  7.8422000000e-03  1.6643000000e-03  3.8703000000e-03 -9.2149000000e-03  1.4740000000e-03 -2.3662000000e-03  2.5143000000e-03
-
-JOB 552
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3263300000e-01 -7.4701900000e-01 -2.7294000000e-01  1.8054100000e-01  4.7513500000e-01 -8.1110000000e-01  2.6272010000e+00 -7.8526000000e-01  8.5064900000e-01  3.1854590000e+00 -1.3015770000e+00  2.6927500000e-01  1.9199400000e+00 -4.7089900000e-01  2.8745200000e-01
-ENERGY -1.526580669803e+02
-FORCES -4.5455000000e-03 -1.8913000000e-03 -1.7488000000e-03  3.0771000000e-03  4.1525000000e-03  5.1050000000e-04  2.4892000000e-03 -4.4185000000e-03  4.8748000000e-03 -8.0962000000e-03  1.5779000000e-03 -3.7364000000e-03 -3.4196000000e-03  1.9756000000e-03  1.0805000000e-03  1.0495000000e-02 -1.3961000000e-03 -9.8050000000e-04
-
-JOB 553
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1924900000e-01  2.4684100000e-01  4.2910600000e-01 -2.9495100000e-01 -7.7705700000e-01  4.7478200000e-01 -2.6350260000e+00  1.3365890000e+00  1.4543900000e-01 -1.7428910000e+00  9.9796100000e-01  2.2065500000e-01 -2.5732890000e+00  2.2439320000e+00  4.4401600000e-01
-ENERGY -1.526607148827e+02
-FORCES  4.0937000000e-03 -3.4117000000e-03  2.2526000000e-03 -4.2282000000e-03 -1.4596000000e-03 -1.7635000000e-03  7.2970000000e-04  5.7740000000e-03 -1.8755000000e-03  9.1562000000e-03 -2.6590000000e-04 -5.2710000000e-04 -1.0121000000e-02  2.3056000000e-03  2.6746000000e-03  3.6960000000e-04 -2.9424000000e-03 -7.6120000000e-04
-
-JOB 554
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0494600000e-01 -8.0419200000e-01  4.2013800000e-01  3.5256900000e-01  5.2669700000e-01  7.1729800000e-01 -3.1741100000e+00 -1.3995350000e+00  2.4609800000e-01 -3.5443550000e+00 -5.4824300000e-01  4.7944700000e-01 -3.8482630000e+00 -2.0312270000e+00  4.9652700000e-01
-ENERGY -1.526562953026e+02
-FORCES -1.0205000000e-03 -2.8110000000e-03  4.0982000000e-03  4.1884000000e-03  4.2586000000e-03 -1.0318000000e-03 -1.7690000000e-03 -1.8104000000e-03 -2.7309000000e-03 -5.4152000000e-03  1.8029000000e-03  8.2090000000e-04  9.9660000000e-04 -4.2207000000e-03 -2.0210000000e-04  3.0196000000e-03  2.7807000000e-03 -9.5420000000e-04
-
-JOB 555
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1844400000e-01  5.2844100000e-01  3.4759200000e-01  1.5507300000e-01 -8.7672600000e-01  3.5147700000e-01 -2.1555030000e+00 -2.7898470000e+00 -6.1557800000e-01 -2.7019050000e+00 -2.8554690000e+00  1.6760200000e-01 -1.2942170000e+00 -3.0981240000e+00 -3.3382600000e-01
-ENERGY -1.526521285908e+02
-FORCES  3.1475000000e-03 -1.5362000000e-03  2.4427000000e-03 -3.3566000000e-03 -2.2832000000e-03 -1.5669000000e-03  3.1200000000e-05  2.7135000000e-03 -9.5260000000e-04  2.8310000000e-04 -1.1881000000e-03  3.7329000000e-03  2.6064000000e-03  2.6000000000e-06 -3.2679000000e-03 -2.7115000000e-03  2.2914000000e-03 -3.8820000000e-04
-
-JOB 556
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4261000000e-01  3.2345100000e-01  7.8467000000e-01 -8.5350000000e-03 -9.5243200000e-01  9.5035000000e-02 -2.4498230000e+00 -3.2086000000e-02 -1.5822360000e+00 -2.7926660000e+00 -6.7097700000e-01 -9.5732800000e-01 -1.5604200000e+00  1.4806200000e-01 -1.2777030000e+00
-ENERGY -1.526589594947e+02
-FORCES -5.7910000000e-04 -2.7711000000e-03  4.8658000000e-03  9.7740000000e-04 -2.5056000000e-03 -5.1196000000e-03 -2.0249000000e-03  5.2824000000e-03 -9.6840000000e-04  9.0613000000e-03 -9.0130000000e-04  6.6023000000e-03  1.2660000000e-03  1.6709000000e-03 -1.3377000000e-03 -8.7007000000e-03 -7.7540000000e-04 -4.0423000000e-03
-
-JOB 557
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0910000000e-01  1.5061600000e-01 -2.5900400000e-01 -5.6934000000e-02 -3.2152100000e-01  8.9978600000e-01  1.3759360000e+00  2.0726550000e+00  9.1275900000e-01  8.8502800000e-01  2.6803970000e+00  1.4658330000e+00  7.2558500000e-01  1.4327140000e+00  6.2336000000e-01
-ENERGY -1.526567848862e+02
-FORCES  8.3260000000e-04  1.9686000000e-03  2.5186000000e-03  5.4788000000e-03  6.3620000000e-04  3.0340000000e-03  6.5360000000e-04  6.8989000000e-03 -4.9132000000e-03 -9.3002000000e-03 -1.1504200000e-02 -7.7245000000e-03 -5.4910000000e-04 -4.0918000000e-03 -2.2731000000e-03  2.8843000000e-03  6.0925000000e-03  9.3582000000e-03
-
-JOB 558
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9727200000e-01 -4.5961000000e-01 -2.6333900000e-01 -1.1812000000e-02 -2.7868000000e-02  9.5672100000e-01 -4.5468400000e-01  1.8440000000e-02  2.7183680000e+00 -9.9746100000e-01 -6.6725000000e-02  3.5021870000e+00  1.8405200000e-01  6.9564000000e-01  2.9411860000e+00
-ENERGY -1.526583348920e+02
-FORCES -6.6700000000e-03 -2.8782000000e-03  1.1676500000e-02  2.0984000000e-03  1.0990000000e-03 -3.6330000000e-04  5.9825000000e-03  3.7028000000e-03 -3.9206000000e-03 -1.3339000000e-03  8.5510000000e-04 -1.7766000000e-03  3.3234000000e-03  1.6274000000e-03 -2.6000000000e-03 -3.4005000000e-03 -4.4061000000e-03 -3.0161000000e-03
-
-JOB 559
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7984900000e-01 -2.1872900000e-01 -8.8886100000e-01  7.7528600000e-01  3.8613300000e-01  4.0751000000e-01  1.9425890000e+00  1.4808100000e+00  1.0384170000e+00  2.3572780000e+00  1.6971390000e+00  2.0327200000e-01  1.8022310000e+00  2.3271280000e+00  1.4630070000e+00
-ENERGY -1.526571033301e+02
-FORCES  1.2247200000e-02  8.7496000000e-03  7.1472000000e-03  1.2454000000e-03  2.4600000000e-03  3.0776000000e-03 -3.3873000000e-03 -5.5828000000e-03 -7.5379000000e-03 -8.3855000000e-03  7.4530000000e-04 -3.2693000000e-03 -4.2837000000e-03 -2.9387000000e-03  3.5503000000e-03  2.5639000000e-03 -3.4335000000e-03 -2.9678000000e-03
-
-JOB 560
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4750500000e-01 -3.3794700000e-01 -6.1867700000e-01  7.0527300000e-01  3.3836400000e-01 -5.5166300000e-01  2.2576740000e+00  1.3811950000e+00 -7.1195700000e-01  1.7265090000e+00  2.0618530000e+00 -1.1252370000e+00  2.9029670000e+00  1.1430850000e+00 -1.3776390000e+00
-ENERGY -1.526578210613e+02
-FORCES  9.8467000000e-03  3.3921000000e-03 -3.4556000000e-03  3.9181000000e-03  2.3897000000e-03  7.2510000000e-04 -1.0838000000e-02 -1.7874000000e-03 -9.1490000000e-04  7.8230000000e-04  2.3214000000e-03 -8.2070000000e-04  9.0390000000e-04 -7.2956000000e-03  1.4126000000e-03 -4.6128000000e-03  9.7980000000e-04  3.0535000000e-03
-
-JOB 561
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7603800000e-01  6.2243900000e-01  6.7275900000e-01 -3.1659200000e-01  5.4773700000e-01 -7.1832100000e-01  1.2264360000e+00  1.6870090000e+00  1.6351200000e+00  1.2576820000e+00  2.4479520000e+00  1.0552740000e+00  2.1029780000e+00  1.3065120000e+00  1.5791870000e+00
-ENERGY -1.526577684290e+02
-FORCES  6.6640000000e-03  1.3027500000e-02  1.1898800000e-02 -3.5477000000e-03 -5.2753000000e-03 -8.4081000000e-03  2.1697000000e-03  1.8160000000e-04  2.9854000000e-03  1.5594000000e-03 -4.6717000000e-03 -7.6125000000e-03 -1.5718000000e-03 -5.8916000000e-03  1.3794000000e-03 -5.2736000000e-03  2.6294000000e-03 -2.4310000000e-04
-
-JOB 562
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9423000000e-02  1.9386500000e-01  9.3605900000e-01  9.0099100000e-01  2.1402300000e-01 -2.4216200000e-01 -2.9853700000e+00 -1.3524600000e-01  1.4811570000e+00 -3.6571970000e+00 -8.1700800000e-01  1.4721600000e+00 -2.8674820000e+00  9.7680000000e-02  5.6024500000e-01
-ENERGY -1.526579749411e+02
-FORCES  3.6610000000e-03  1.1298000000e-03  3.8360000000e-03  1.8674000000e-03  3.9100000000e-05 -5.3082000000e-03 -3.5638000000e-03 -9.7090000000e-04  1.3400000000e-03 -2.0747000000e-03 -2.4297000000e-03 -4.9751000000e-03  2.3173000000e-03  2.7935000000e-03 -4.5000000000e-05 -2.2073000000e-03 -5.6170000000e-04  5.1525000000e-03
-
-JOB 563
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1978900000e-01  4.7377200000e-01 -8.0216200000e-01 -6.4862200000e-01 -7.0220000000e-01  4.9357000000e-02 -2.5383820000e+00  1.9256390000e+00  4.3907800000e-01 -3.3095090000e+00  2.3412900000e+00  8.2486100000e-01 -1.9651610000e+00  2.6551140000e+00  2.0345900000e-01
-ENERGY -1.526544429411e+02
-FORCES -7.4230000000e-03  9.1800000000e-05 -1.7979000000e-03  2.4937000000e-03 -1.0806000000e-03  2.3898000000e-03  3.9333000000e-03  1.0146000000e-03 -6.2830000000e-04  5.2640000000e-04  5.0234000000e-03  1.8347000000e-03  3.4580000000e-03 -2.1170000000e-03 -1.4222000000e-03 -2.9884000000e-03 -2.9322000000e-03 -3.7610000000e-04
-
-JOB 564
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4438100000e-01  3.6094000000e-02 -9.4556000000e-01  4.0135000000e-02  9.1323800000e-01  2.8393100000e-01 -2.6071780000e+00 -1.3237310000e+00  6.1831000000e-01 -2.6303340000e+00 -2.1874080000e+00  2.0629300000e-01 -1.7077840000e+00 -1.0215320000e+00  4.9182800000e-01
-ENERGY -1.526615658721e+02
-FORCES  8.3330000000e-04  5.2798000000e-03 -2.8059000000e-03 -6.7790000000e-04 -1.6060000000e-04  4.6083000000e-03  2.7530000000e-04 -4.2770000000e-03 -2.1039000000e-03  8.3887000000e-03  1.0807000000e-03 -2.2042000000e-03  5.4810000000e-04  3.0128000000e-03  6.8900000000e-04 -9.3675000000e-03 -4.9358000000e-03  1.8166000000e-03
-
-JOB 565
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9455800000e-01  5.9524700000e-01  2.8196200000e-01 -4.5838700000e-01 -8.0205300000e-01 -2.5064800000e-01  7.6481500000e-01 -1.3994980000e+00  2.2823870000e+00  1.0593850000e+00 -9.6520500000e-01  1.4818560000e+00  4.6141800000e-01 -2.2593800000e+00  1.9912090000e+00
-ENERGY -1.526561434852e+02
-FORCES -5.9732000000e-03 -1.9146000000e-03  6.8389000000e-03  2.4822000000e-03 -2.5824000000e-03 -2.7942000000e-03  3.5118000000e-03  2.2667000000e-03  1.9263000000e-03 -2.1213000000e-03  4.7102000000e-03 -1.1028400000e-02  2.2085000000e-03 -5.8076000000e-03  5.1575000000e-03 -1.0800000000e-04  3.3277000000e-03 -1.0010000000e-04
-
-JOB 566
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1505400000e-01  9.2042200000e-01  1.5102300000e-01 -6.0374200000e-01 -2.2468100000e-01  7.0798700000e-01 -6.1042500000e-01  3.0240040000e+00  1.7810900000e-01 -1.3608960000e+00  3.4308650000e+00 -2.5488900000e-01 -8.8037900000e-01  2.9341040000e+00  1.0920430000e+00
-ENERGY -1.526574657737e+02
-FORCES -2.6017000000e-03  7.3795000000e-03  1.6451000000e-03  1.6145000000e-03 -7.7681000000e-03  2.3988000000e-03  1.9250000000e-03  9.4410000000e-04 -1.9795000000e-03 -6.0131000000e-03  2.2694000000e-03 -6.2710000000e-04  3.0996000000e-03 -9.1270000000e-04  3.0329000000e-03  1.9757000000e-03 -1.9122000000e-03 -4.4702000000e-03
-
-JOB 567
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6955700000e-01 -3.1928100000e-01  8.6117900000e-01  3.4702400000e-01  8.7635000000e-01  1.6678200000e-01 -2.0799480000e+00  1.6470310000e+00 -1.1655650000e+00 -1.5164570000e+00  1.0798110000e+00 -6.3928400000e-01 -2.9082450000e+00  1.1713480000e+00 -1.2278790000e+00
-ENERGY -1.526589615237e+02
-FORCES  4.0943000000e-03  8.9540000000e-04  3.8316000000e-03 -2.2060000000e-04  2.6037000000e-03 -5.2453000000e-03 -6.1744000000e-03 -4.5353000000e-03 -1.7290000000e-03  4.2833000000e-03 -9.4901000000e-03  2.6117000000e-03 -4.7339000000e-03  9.3237000000e-03 -2.8910000000e-04  2.7513000000e-03  1.2027000000e-03  8.2010000000e-04
-
-JOB 568
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9885000000e-02  1.3253600000e-01 -9.4777100000e-01  2.4212200000e-01 -9.1967100000e-01  1.0868900000e-01  1.6337200000e-01  2.3077600000e-01 -2.9173350000e+00  9.4225900000e-01 -3.2204900000e-01 -2.9801930000e+00 -5.7033900000e-01 -3.7679500000e-01 -3.0109150000e+00
-ENERGY -1.526588206031e+02
-FORCES  1.5137000000e-03  6.9400000000e-05 -9.9384000000e-03 -1.7365000000e-03 -4.4754000000e-03  9.6883000000e-03 -7.1240000000e-04  2.8869000000e-03 -1.7303000000e-03  1.2058000000e-03 -3.9026000000e-03 -4.2339000000e-03 -5.0733000000e-03  2.2934000000e-03  2.3513000000e-03  4.8028000000e-03  3.1283000000e-03  3.8631000000e-03
-
-JOB 569
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6665100000e-01 -1.5945200000e-01 -3.7379600000e-01  4.2488000000e-02  8.9742400000e-01  3.3023700000e-01  5.9950000000e-02 -2.0950630000e+00  1.6095710000e+00 -3.3701000000e-02 -1.4950750000e+00  8.6965500000e-01  2.8413500000e-01 -2.9355470000e+00  1.2101210000e+00
-ENERGY -1.526573943586e+02
-FORCES  2.4402000000e-03 -2.1199000000e-03  8.8967000000e-03 -5.3435000000e-03 -1.8511000000e-03  3.4102000000e-03  1.0696000000e-03 -3.6142000000e-03 -3.4346000000e-03 -2.8212000000e-03  1.2252000000e-02 -9.0248000000e-03  4.5770000000e-03 -9.4452000000e-03  1.3537000000e-03  7.7800000000e-05  4.7784000000e-03 -1.2012000000e-03
-
-JOB 570
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2227200000e-01 -7.5099000000e-01  2.8191800000e-01  1.9501000000e-02  5.9948000000e-01  7.4597200000e-01  2.1629620000e+00  7.4377800000e-01 -1.2549730000e+00  2.6663660000e+00  4.0682000000e-02 -1.6654260000e+00  1.5662750000e+00  2.9402800000e-01 -6.5670800000e-01
-ENERGY -1.526498494718e+02
-FORCES  5.9919000000e-03  4.0320000000e-03 -1.0093000000e-03  4.3708000000e-03  9.1215000000e-03 -7.2012000000e-03  1.8394000000e-03 -3.7960000000e-03 -5.3227000000e-03 -1.6541700000e-02 -4.6564000000e-03  6.1729000000e-03 -4.0872000000e-03  5.2590000000e-04  3.2882000000e-03  8.4268000000e-03 -5.2271000000e-03  4.0722000000e-03
-
-JOB 571
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4053000000e-02  9.0473600000e-01 -3.0591200000e-01 -7.1359600000e-01 -4.5547100000e-01 -4.4672000000e-01 -1.9785030000e+00 -9.6457100000e-01 -1.6534470000e+00 -1.7943050000e+00 -1.8558760000e+00 -1.9498890000e+00 -2.8068990000e+00 -1.0357750000e+00 -1.1791870000e+00
-ENERGY -1.526604451828e+02
-FORCES -1.0915500000e-02 -2.3367000000e-03 -1.1124300000e-02  2.0520000000e-04 -2.0354000000e-03  1.3952000000e-03  5.9565000000e-03  1.1021000000e-03  7.8118000000e-03  2.4960000000e-04 -1.8730000000e-03  7.2710000000e-04 -1.2002000000e-03  4.8753000000e-03  2.8832000000e-03  5.7044000000e-03  2.6770000000e-04 -1.6931000000e-03
-
-JOB 572
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9236500000e-01  4.6529900000e-01 -2.6811600000e-01 -6.2455200000e-01  1.6251300000e-01 -7.0693400000e-01  2.2187980000e+00 -3.0871570000e+00 -5.8681900000e-01  2.3206690000e+00 -2.7732460000e+00 -1.4853250000e+00  1.3027340000e+00 -2.9099840000e+00 -3.7311800000e-01
-ENERGY -1.526559043775e+02
-FORCES  7.6480000000e-04  4.5391000000e-03 -3.0089000000e-03 -3.8300000000e-03 -2.1091000000e-03  5.8540000000e-04  2.9813000000e-03 -1.3978000000e-03  2.7742000000e-03 -4.4741000000e-03  2.6776000000e-03 -1.8915000000e-03 -1.3800000000e-05 -1.0416000000e-03  3.2596000000e-03  4.5718000000e-03 -2.6681000000e-03 -1.7188000000e-03
-
-JOB 573
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0462600000e-01 -4.4997000000e-01 -7.8801100000e-01 -9.3398900000e-01 -2.0416600000e-01  4.7040000000e-02 -8.9763800000e-01  2.2767340000e+00  1.9088570000e+00 -1.4147000000e-02  2.1908580000e+00  1.5506660000e+00 -9.2243000000e-01  3.1598330000e+00  2.2773040000e+00
-ENERGY -1.526579833190e+02
-FORCES -4.3391000000e-03 -2.8836000000e-03 -2.4281000000e-03 -1.4722000000e-03  1.9383000000e-03  3.1886000000e-03  4.6782000000e-03 -7.3110000000e-04 -1.6673000000e-03  4.7329000000e-03  1.5359000000e-03 -1.1729000000e-03 -4.0392000000e-03  3.5859000000e-03  3.8414000000e-03  4.3930000000e-04 -3.4453000000e-03 -1.7617000000e-03
-
-JOB 574
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7368500000e-01 -2.8077900000e-01  2.7215800000e-01  7.1301000000e-02  1.2240800000e-01 -9.4665900000e-01  2.1467100000e+00 -7.2542700000e-01  1.4170290000e+00  2.7602800000e+00 -1.3779350000e+00  1.0793950000e+00  1.6806820000e+00 -1.1760190000e+00  2.1213130000e+00
-ENERGY -1.526598503523e+02
-FORCES  1.3234600000e-02 -2.8697000000e-03  6.5310000000e-03 -8.9898000000e-03  1.0315000000e-03 -6.5921000000e-03  2.1881000000e-03 -1.3212000000e-03  3.2562000000e-03 -5.3649000000e-03 -1.9529000000e-03  5.7730000000e-04 -4.4051000000e-03  3.3561000000e-03  7.7010000000e-04  3.3371000000e-03  1.7561000000e-03 -4.5426000000e-03
-
-JOB 575
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7093000000e-01  1.7744800000e-01 -8.1422900000e-01  7.5744700000e-01 -5.1964600000e-01 -2.6921100000e-01 -2.0485470000e+00 -9.8113300000e-01  1.9942880000e+00 -2.7907940000e+00 -7.9260600000e-01  1.4200400000e+00 -1.2906270000e+00 -6.2290100000e-01  1.5322720000e+00
-ENERGY -1.526605462156e+02
-FORCES  1.9148000000e-03 -1.7686000000e-03 -5.0979000000e-03  1.9549000000e-03 -1.2237000000e-03  3.9737000000e-03 -3.7212000000e-03  2.7901000000e-03  5.2600000000e-04  4.4797000000e-03  3.8982000000e-03 -7.3358000000e-03  1.9525000000e-03 -6.4220000000e-04  1.5214000000e-03 -6.5806000000e-03 -3.0538000000e-03  6.4127000000e-03
-
-JOB 576
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8817200000e-01 -9.0448700000e-01  1.2284900000e-01  4.6793800000e-01 -8.5210000000e-03 -8.3498100000e-01  1.9718490000e+00 -4.1219800000e-01  2.0401060000e+00  1.7907900000e+00 -5.5903700000e-01  1.1117270000e+00  1.1263500000e+00 -1.6248700000e-01  2.4129430000e+00
-ENERGY -1.526555651617e+02
-FORCES -2.5070000000e-04 -2.0794000000e-03 -2.0825000000e-03  3.9313000000e-03  4.7598000000e-03  9.9640000000e-04 -4.6820000000e-04 -1.1442000000e-03  5.8813000000e-03 -1.0624600000e-02  5.0151000000e-03 -7.6116000000e-03  4.5516000000e-03 -4.1869000000e-03  8.0180000000e-04  2.8607000000e-03 -2.3644000000e-03  2.0146000000e-03
-
-JOB 577
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0276300000e-01 -3.2414000000e-01 -8.4823300000e-01  8.9049800000e-01 -3.4103800000e-01  8.3291000000e-02 -1.3455600000e-01 -2.3583850000e+00  1.1903260000e+00 -1.2091600000e-01 -1.4500510000e+00  8.8870400000e-01  7.8685200000e-01 -2.6163410000e+00  1.2167610000e+00
-ENERGY -1.526521180738e+02
-FORCES  7.3090000000e-04 -9.3953000000e-03 -2.2058000000e-03  2.0116000000e-03  1.0823000000e-03  5.9546000000e-03 -8.8077000000e-03 -5.4682000000e-03  5.2847000000e-03 -2.8110000000e-04  1.7072100000e-02 -5.9834000000e-03  8.8301000000e-03 -7.4839000000e-03 -8.1930000000e-04 -2.4838000000e-03  4.1931000000e-03 -2.2308000000e-03
-
-JOB 578
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3896400000e-01 -4.5646600000e-01  6.3323000000e-02  2.1340000000e-01  2.3625600000e-01  9.0270400000e-01  1.3256740000e+00 -1.5617200000e-01  2.3698080000e+00  2.0118920000e+00 -3.2267000000e-01  1.7235760000e+00  8.3622400000e-01 -9.7741000000e-01  2.4171310000e+00
-ENERGY -1.526577211742e+02
-FORCES  2.8558000000e-03  1.8554000000e-03  1.2677300000e-02  3.8734000000e-03  6.2100000000e-04  1.9244000000e-03 -2.8671000000e-03 -4.1257000000e-03 -8.4093000000e-03  1.4122000000e-03 -6.5173000000e-03 -7.6303000000e-03 -4.7825000000e-03  2.1876000000e-03  3.3130000000e-03 -4.9170000000e-04  5.9791000000e-03 -1.8752000000e-03
-
-JOB 579
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7291300000e-01  8.2165800000e-01  4.5957700000e-01  4.0544000000e-02 -6.6987200000e-01  6.8253900000e-01 -9.4226500000e-01 -1.0351420000e+00 -2.1589690000e+00 -4.3904400000e-01 -7.1626300000e-01 -1.4097580000e+00 -1.8565370000e+00 -9.0851100000e-01 -1.9053880000e+00
-ENERGY -1.526562349363e+02
-FORCES -4.3589000000e-03 -2.8316000000e-03 -1.1377400000e-02 -1.2964000000e-03 -5.4465000000e-03  2.5610000000e-04 -7.2560000000e-04  4.1786000000e-03 -4.1335000000e-03  4.9234000000e-03  1.0951400000e-02  1.7021300000e-02 -2.8900000000e-04 -6.1269000000e-03 -1.2409000000e-03  1.7465000000e-03 -7.2500000000e-04 -5.2550000000e-04
-
-JOB 580
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6582500000e-01  2.1888800000e-01 -8.0704800000e-01  7.1095000000e-02 -9.5217200000e-01  6.7423000000e-02  8.6351900000e-01  5.4673800000e-01 -2.4920840000e+00  6.3495800000e-01 -1.9769300000e-01 -3.0486940000e+00  1.2346520000e+00  1.1916180000e+00 -3.0942660000e+00
-ENERGY -1.526588646713e+02
-FORCES  5.5892000000e-03  2.2819000000e-03 -1.2279900000e-02 -2.6372000000e-03 -4.1026000000e-03  6.8370000000e-03 -2.2750000000e-04  2.6398000000e-03 -1.9446000000e-03 -2.3737000000e-03 -2.1880000000e-04  3.5527000000e-03  2.0175000000e-03  3.7136000000e-03  2.7349000000e-03 -2.3682000000e-03 -4.3139000000e-03  1.0999000000e-03
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-JOB 581
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6586200000e-01 -2.5583000000e-01  5.1404100000e-01 -1.2468900000e-01  9.3409700000e-01 -1.6776900000e-01 -4.1235600000e-01  2.6600980000e+00  9.5773500000e-01 -1.3937600000e-01  3.3741560000e+00  3.8168400000e-01 -1.3316350000e+00  2.8449670000e+00  1.1500410000e+00
-ENERGY -1.526569264143e+02
-FORCES -3.9395000000e-03  1.0727900000e-02  6.5477000000e-03  1.6680000000e-03 -4.3140000000e-04 -1.8473000000e-03  1.1847000000e-03 -5.6244000000e-03 -5.8681000000e-03 -1.8883000000e-03  2.7204000000e-03  1.0216000000e-03 -1.6402000000e-03 -5.4518000000e-03  1.6797000000e-03  4.6153000000e-03 -1.9408000000e-03 -1.5336000000e-03
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-JOB 582
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1238400000e-01 -6.8772400000e-01  6.5622900000e-01 -7.7546000000e-01  5.5279900000e-01  9.6473000000e-02 -1.3349900000e+00 -3.0025330000e+00  2.4408500000e-01 -2.0552350000e+00 -2.3877540000e+00  3.8381800000e-01 -1.1051100000e+00 -2.8970430000e+00 -6.7909300000e-01
-ENERGY -1.526569052594e+02
-FORCES -2.4006000000e-03 -1.8381000000e-03  4.3145000000e-03  2.1000000000e-05  5.8325000000e-03 -2.9964000000e-03  2.3811000000e-03 -3.1452000000e-03 -7.0150000000e-04 -2.4663000000e-03  2.0222000000e-03 -5.9075000000e-03  3.9941000000e-03 -1.4149000000e-03  7.4510000000e-04 -1.5294000000e-03 -1.4565000000e-03  4.5458000000e-03
-
-JOB 583
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.8599200000e-01 -9.1346500000e-01  4.7830000000e-03  1.6920900000e-01  2.0331800000e-01  9.1992500000e-01  2.4831370000e+00  1.7579400000e-01 -1.0685790000e+00  2.5106710000e+00 -4.4924300000e-01 -1.7930120000e+00  1.6042060000e+00  7.9599000000e-02 -7.0189100000e-01
-ENERGY -1.526596280247e+02
-FORCES  3.3888000000e-03 -1.7639000000e-03  1.7704000000e-03  2.9829000000e-03  4.8925000000e-03 -3.7710000000e-04  1.8150000000e-04 -1.9879000000e-03 -5.9905000000e-03 -1.6053100000e-02 -1.5773000000e-03  3.7643000000e-03 -1.3611000000e-03  1.0125000000e-03  2.6205000000e-03  1.0861000000e-02 -5.7600000000e-04 -1.7876000000e-03
-
-JOB 584
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0541100000e-01  5.1843600000e-01 -6.2611200000e-01  8.9448800000e-01  1.7948000000e-02 -3.4029600000e-01  2.5672970000e+00 -1.7004700000e-01 -9.9852200000e-01  2.7619200000e+00 -1.0188170000e+00 -1.3959410000e+00  3.3985520000e+00  1.1273800000e-01 -6.1736600000e-01
-ENERGY -1.526616401307e+02
-FORCES  1.1276100000e-02  1.1504000000e-03 -5.7603000000e-03  2.1319000000e-03 -1.5825000000e-03  1.2789000000e-03 -9.6278000000e-03  1.4270000000e-04  2.7339000000e-03 -7.1220000000e-04 -1.8759000000e-03  2.4010000000e-03  1.7550000000e-04  4.6488000000e-03  2.0946000000e-03 -3.2436000000e-03 -2.4835000000e-03 -2.7480000000e-03
-
-JOB 585
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.2823500000e-01  8.5668600000e-01 -3.6087300000e-01  8.1501500000e-01 -5.0065000000e-01 -3.6492000000e-02  2.6846140000e+00 -1.2195500000e+00 -6.4496600000e-01  2.1774410000e+00 -1.9306790000e+00 -1.0365050000e+00  2.6781930000e+00 -1.4085730000e+00  2.9336300000e-01
-ENERGY -1.526575601210e+02
-FORCES  9.7018000000e-03  1.3528000000e-03 -4.4413000000e-03 -2.0055000000e-03 -2.3284000000e-03  1.6076000000e-03 -6.2397000000e-03 -2.1187000000e-03  4.5840000000e-03  1.6426000000e-03 -5.5884000000e-03  3.3100000000e-04  1.0095000000e-03  5.4970000000e-03  3.5467000000e-03 -4.1088000000e-03  3.1856000000e-03 -5.6280000000e-03
-
-JOB 586
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9212900000e-01  9.1988900000e-01  1.8199800000e-01 -9.6999000000e-02 -8.2280000000e-02 -9.4871100000e-01  3.1724220000e+00  1.5681010000e+00  5.1136900000e-01  2.4884130000e+00  2.1585890000e+00  1.9563700000e-01  3.4650700000e+00  1.9584230000e+00  1.3349210000e+00
-ENERGY -1.526519765522e+02
-FORCES -2.4130000000e-04  2.6270000000e-03 -2.9613000000e-03  1.1947000000e-03 -2.9602000000e-03 -8.9070000000e-04  2.1360000000e-04  6.6830000000e-04  4.0024000000e-03 -2.1496000000e-03  2.8768000000e-03  2.2811000000e-03  2.3228000000e-03 -1.6364000000e-03  1.0385000000e-03 -1.3402000000e-03 -1.5754000000e-03 -3.4700000000e-03
-
-JOB 587
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2964100000e-01 -8.3514900000e-01  1.8484100000e-01 -4.6441700000e-01  3.4522100000e-01 -7.6247700000e-01 -1.4691650000e+00  8.3793900000e-01 -2.4643210000e+00 -1.3666950000e+00  1.6978770000e+00 -2.8720450000e+00 -1.0409500000e+00  2.3271800000e-01 -3.0697730000e+00
-ENERGY -1.526614265092e+02
-FORCES -7.0941000000e-03  1.2163000000e-03 -6.0876000000e-03  1.6511000000e-03  2.2921000000e-03 -1.1183000000e-03  6.4708000000e-03 -4.1929000000e-03  7.1821000000e-03  9.6820000000e-04  2.3078000000e-03 -5.5118000000e-03 -2.8790000000e-04 -4.6636000000e-03  1.3044000000e-03 -1.7081000000e-03  3.0404000000e-03  4.2312000000e-03
-
-JOB 588
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8874400000e-01 -4.2463200000e-01  5.1142000000e-01  1.9848000000e-02 -4.8489800000e-01 -8.2505300000e-01 -1.8623610000e+00  2.6537210000e+00  7.0513300000e-01 -1.3983800000e+00  1.8948590000e+00  1.0588010000e+00 -1.3612980000e+00  3.4077020000e+00  1.0160680000e+00
-ENERGY -1.526553583458e+02
-FORCES -2.5428000000e-03 -4.2960000000e-03 -4.2975000000e-03  2.6807000000e-03  4.2947000000e-03 -9.9220000000e-04  3.8430000000e-04  1.2526000000e-03  3.8500000000e-03  6.5545000000e-03 -1.1390000000e-03  9.1560000000e-04 -4.8233000000e-03  2.4320000000e-03  1.6009000000e-03 -2.2533000000e-03 -2.5442000000e-03 -1.0767000000e-03
-
-JOB 589
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5069800000e-01 -2.7747700000e-01  3.3992900000e-01  5.6972700000e-01  2.3067000000e-02  7.6883800000e-01 -5.8589500000e-01 -3.2047630000e+00 -7.9089200000e-01 -1.2990750000e+00 -2.7346020000e+00 -1.2228110000e+00  1.9779400000e-01 -2.9537530000e+00 -1.2798270000e+00
-ENERGY -1.526556619006e+02
-FORCES -1.2047000000e-03 -3.0553000000e-03  5.7332000000e-03  2.5742000000e-03  2.3849000000e-03 -2.1326000000e-03 -2.0409000000e-03  4.5560000000e-04 -3.1778000000e-03  2.0205000000e-03  5.3531000000e-03 -4.2676000000e-03  1.6786000000e-03 -2.0287000000e-03  2.4952000000e-03 -3.0277000000e-03 -3.1095000000e-03  1.3497000000e-03
-
-JOB 590
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9793500000e-01  4.8471600000e-01  8.0131400000e-01  5.8377000000e-01  5.7753700000e-01 -4.9182800000e-01 -2.3066360000e+00 -1.9197920000e+00  1.9179820000e+00 -2.7126170000e+00 -1.0949560000e+00  1.6514180000e+00 -2.3279110000e+00 -1.8995670000e+00  2.8747320000e+00
-ENERGY -1.526529866427e+02
-FORCES  2.1985000000e-03  3.6692000000e-03  1.7574000000e-03  8.0200000000e-05 -1.0968000000e-03 -3.6235000000e-03 -2.5174000000e-03 -2.6828000000e-03  2.1279000000e-03 -2.0214000000e-03  2.8079000000e-03  1.6246000000e-03  1.7682000000e-03 -2.9671000000e-03  2.1923000000e-03  4.9190000000e-04  2.6950000000e-04 -4.0786000000e-03
-
-JOB 591
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3682000000e-02 -5.8775300000e-01  7.5512700000e-01 -6.0505600000e-01 -3.9297400000e-01 -6.2905500000e-01  2.1439410000e+00  2.6311600000e-01 -1.7721330000e+00  1.3547900000e+00  3.4246000000e-01 -1.2362440000e+00  1.8250990000e+00  2.8981200000e-01 -2.6742740000e+00
-ENERGY -1.526590165006e+02
-FORCES  2.0778000000e-03 -5.2108000000e-03  1.0293000000e-03 -1.9059000000e-03  2.5028000000e-03 -3.7456000000e-03  5.0487000000e-03  2.6637000000e-03  1.6387000000e-03 -8.6959000000e-03  4.3700000000e-05  6.9132000000e-03  4.3761000000e-03  7.2660000000e-04 -9.6252000000e-03 -9.0100000000e-04 -7.2590000000e-04  3.7896000000e-03
-
-JOB 592
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9001600000e-01  7.0047000000e-02  9.3553200000e-01 -2.5429400000e-01 -9.1423700000e-01 -1.2544400000e-01  1.5315890000e+00  4.6540600000e-01  2.2700700000e+00  1.5778150000e+00  2.9756700000e-01  3.2113060000e+00  2.3270400000e+00  6.7729000000e-02  1.9160330000e+00
-ENERGY -1.526602976732e+02
-FORCES  3.3472000000e-03  1.4980000000e-04  9.7891000000e-03 -4.7871000000e-03 -2.7291000000e-03 -8.2186000000e-03  1.7894000000e-03  2.7595000000e-03  1.3627000000e-03  3.5655000000e-03 -1.4023000000e-03 -1.3766000000e-03  1.5550000000e-04  2.2600000000e-05 -4.9799000000e-03 -4.0705000000e-03  1.1994000000e-03  3.4234000000e-03
-
-JOB 593
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0615200000e-01 -2.6386300000e-01  1.5967600000e-01 -6.5385000000e-02  8.7606000000e-01  3.8009900000e-01 -3.2419700000e-01  2.3608450000e+00  1.2589380000e+00  1.8272600000e-01  3.0256700000e+00  7.9281700000e-01 -1.1221360000e+00  2.2598790000e+00  7.3996800000e-01
-ENERGY -1.526561395557e+02
-FORCES  2.6841000000e-03  1.3292700000e-02  1.0830700000e-02 -2.1902000000e-03  1.4719000000e-03 -6.5450000000e-04 -6.4332000000e-03 -3.3378000000e-03 -8.4585000000e-03 -1.2151000000e-03 -7.7740000000e-04 -4.2001000000e-03 -2.3215000000e-03 -5.5863000000e-03  1.7707000000e-03  9.4759000000e-03 -5.0632000000e-03  7.1170000000e-04
-
-JOB 594
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1332000000e-01 -2.8648200000e-01  2.6650000000e-03  1.5175000000e-02  7.5889800000e-01  5.8316000000e-01 -1.9760170000e+00  1.9365890000e+00 -1.3200260000e+00 -1.8788380000e+00  2.2873030000e+00 -4.3470800000e-01 -2.9092670000e+00  2.0267400000e+00 -1.5127710000e+00
-ENERGY -1.526518630493e+02
-FORCES -6.1482000000e-03  3.8608000000e-03 -1.5048000000e-03  3.9796000000e-03 -4.7780000000e-04  2.5319000000e-03 -6.1960000000e-04 -2.0310000000e-03 -1.6306000000e-03 -1.9048000000e-03  3.0337000000e-03  2.1277000000e-03  1.1530000000e-04 -2.8391000000e-03 -2.6260000000e-03  4.5777000000e-03 -1.5466000000e-03  1.1018000000e-03
-
-JOB 595
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9653100000e-01 -2.4620700000e-01 -8.3569000000e-01 -3.6128500000e-01 -8.1687700000e-01  3.4411800000e-01  2.2242780000e+00  9.2325800000e-01  1.2070310000e+00  1.6887280000e+00  3.8832700000e-01  6.2114200000e-01  1.6542040000e+00  1.1051510000e+00  1.9541330000e+00
-ENERGY -1.526555666626e+02
-FORCES  2.5209000000e-03 -6.0430000000e-04  1.0332000000e-03  1.6124000000e-03  1.6261000000e-03  7.8761000000e-03  3.0036000000e-03  4.7968000000e-03 -1.3337000000e-03 -1.8017500000e-02 -4.2692000000e-03 -4.2438000000e-03  7.9969000000e-03 -1.3461000000e-03 -3.2856000000e-03  2.8837000000e-03 -2.0320000000e-04 -4.6200000000e-05
-
-JOB 596
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.8136000000e-01  2.5401000000e-01 -9.0488600000e-01  5.5477700000e-01 -7.6544000000e-01  1.5018500000e-01  1.7617380000e+00 -2.0891130000e+00  6.2013900000e-01  1.5092980000e+00 -2.5284620000e+00 -1.9194400000e-01  2.1004690000e+00 -2.7901300000e+00  1.1769760000e+00
-ENERGY -1.526573284824e+02
-FORCES  7.6807000000e-03 -5.3578000000e-03  2.6029000000e-03 -2.2100000000e-05 -2.5503000000e-03  2.8049000000e-03 -5.0955000000e-03  2.0746000000e-03 -7.8053000000e-03 -8.2160000000e-04 -2.2404000000e-03  2.2722000000e-03 -8.7810000000e-04  5.8550000000e-03  4.3114000000e-03 -8.6340000000e-04  2.2190000000e-03 -4.1862000000e-03
-
-JOB 597
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5325200000e-01  2.6399600000e-01 -9.0722200000e-01  8.5169800000e-01 -4.3649800000e-01 -1.7683000000e-02  1.7866760000e+00 -2.1189230000e+00  5.3652500000e-01  1.3807540000e+00 -2.2839730000e+00  1.3875340000e+00  2.5595240000e+00 -1.5911790000e+00  7.3758600000e-01
-ENERGY -1.526579856497e+02
-FORCES  6.1269000000e-03 -8.4059000000e-03 -1.9849000000e-03  1.5538000000e-03 -1.5042000000e-03  2.9444000000e-03 -2.0530000000e-03  9.4799000000e-03  1.9430000000e-04 -2.2938000000e-03 -1.0331000000e-03  5.9020000000e-03  3.4028000000e-03  9.2200000000e-04 -4.1987000000e-03 -6.7368000000e-03  5.4140000000e-04 -2.8570000000e-03
-
-JOB 598
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4515700000e-01 -9.0964600000e-01  2.6020200000e-01 -5.6715100000e-01 -5.7914000000e-02 -7.6890700000e-01 -2.3808500000e+00  5.5938600000e-01 -1.4827000000e+00 -2.4988100000e+00  1.5030790000e+00 -1.5911480000e+00 -2.7343040000e+00  1.7935600000e-01 -2.2869880000e+00
-ENERGY -1.526595286946e+02
-FORCES -8.1505000000e-03 -1.1467000000e-03 -4.4565000000e-03 -1.0816000000e-03  2.7136000000e-03 -1.5701000000e-03  8.8122000000e-03 -2.5506000000e-03  3.3907000000e-03 -2.0958000000e-03  4.4591000000e-03 -8.4360000000e-04 -1.4680000000e-04 -4.9608000000e-03 -6.2800000000e-04  2.6625000000e-03  1.4853000000e-03  4.1075000000e-03
-
-JOB 599
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7123700000e-01  7.2962000000e-01  5.9545400000e-01 -3.9502600000e-01  2.6923200000e-01 -8.2927700000e-01  8.7277500000e-01 -2.4101020000e+00 -4.6003200000e-01  5.7211600000e-01 -1.5042950000e+00 -3.8688900000e-01  1.5494000000e+00 -2.3844850000e+00 -1.1366080000e+00
-ENERGY -1.526563639747e+02
-FORCES  3.3354000000e-03 -8.6691000000e-03  1.6584000000e-03 -5.7300000000e-04 -1.9148000000e-03 -5.0161000000e-03  3.6660000000e-03 -2.8458000000e-03  4.4183000000e-03 -3.2569000000e-03  1.5446900000e-02  4.7675000000e-03 -3.3010000000e-04 -3.9716000000e-03 -7.3975000000e-03 -2.8413000000e-03  1.9543000000e-03  1.5695000000e-03
-
-JOB 0
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2625800000e-01 -5.2050000000e-01  6.0693000000e-01 -6.1224600000e-01 -6.2688300000e-01 -3.8523200000e-01  1.6704610000e+00  1.5079980000e+00  1.8169620000e+00  2.2013230000e+00  7.4715100000e-01  1.5813170000e+00  1.0658070000e+00  1.1816380000e+00  2.4833810000e+00
-ENERGY -1.526494429324e+02
-FORCES  1.3934000000e-03 -2.8734000000e-03  1.8201000000e-03 -6.3620000000e-04  1.5602000000e-03 -1.2460000000e-03  2.8740000000e-03  3.8038000000e-03  2.3884000000e-03 -3.1786000000e-03 -3.7252000000e-03 -1.3610000000e-03 -3.7809000000e-03  1.1080000000e-03  9.8140000000e-04  3.3282000000e-03  1.2650000000e-04 -2.5829000000e-03
-
-JOB 1
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8771400000e-01 -5.4346900000e-01  5.2484900000e-01 -5.2526900000e-01 -6.2632400000e-01 -4.9803900000e-01  1.7741900000e-01 -3.4316190000e+00  1.1912700000e-01 -4.6148900000e-01 -2.9662570000e+00  6.5900400000e-01  6.8795200000e-01 -2.7385920000e+00 -2.9956200000e-01
-ENERGY -1.526526722257e+02
-FORCES -1.6580000000e-04 -3.1603000000e-03  1.5820000000e-04 -3.1021000000e-03  5.7480000000e-04 -3.6472000000e-03  3.4821000000e-03  1.6819000000e-03  3.2397000000e-03 -4.2450000000e-04  3.1548000000e-03  6.6880000000e-04  3.5144000000e-03 -9.7480000000e-04 -3.3997000000e-03 -3.3039000000e-03 -1.2764000000e-03  2.9803000000e-03
-
-JOB 2
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7626100000e-01 -7.0352600000e-01  5.2887700000e-01 -5.0392400000e-01 -4.5182400000e-01 -6.7686600000e-01 -3.3103870000e+00 -5.5773000000e-02 -2.1796900000e-01 -2.8303740000e+00 -7.2549400000e-01  2.6915900000e-01 -3.8110540000e+00 -5.4595600000e-01 -8.7010700000e-01
-ENERGY -1.526536281132e+02
-FORCES -4.3520000000e-04 -2.7940000000e-03 -2.2359000000e-03 -2.9465000000e-03  2.7808000000e-03 -1.9838000000e-03  2.9080000000e-03 -7.8600000000e-05  3.8949000000e-03 -8.1470000000e-04 -3.5121000000e-03  1.5548000000e-03 -2.0575000000e-03  1.5222000000e-03 -3.7170000000e-03  3.3459000000e-03  2.0817000000e-03  2.4870000000e-03
-
-JOB 3
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0044400000e-01 -6.7711800000e-01 -5.4533200000e-01 -6.4652000000e-01  4.1610900000e-01 -5.7017300000e-01 -1.5548750000e+00 -1.3093200000e+00  1.8870070000e+00 -1.0607200000e+00 -9.4011100000e-01  1.1550730000e+00 -2.2009670000e+00 -1.8831050000e+00  1.4752200000e+00
-ENERGY -1.526594757589e+02
-FORCES -1.9330000000e-04  2.3090000000e-04 -2.7189000000e-03 -4.2951000000e-03  2.8485000000e-03  3.6428000000e-03  2.5891000000e-03 -4.3802000000e-03  3.7705000000e-03  7.0548000000e-03  5.6497000000e-03 -9.3449000000e-03 -8.0748000000e-03 -6.9436000000e-03  5.1235000000e-03  2.9193000000e-03  2.5947000000e-03 -4.7300000000e-04
-
-JOB 4
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4060700000e-01 -4.2879500000e-01  5.6744100000e-01  4.0490800000e-01  6.6603600000e-01  5.5558800000e-01  1.6523840000e+00 -1.5884620000e+00 -1.6278930000e+00  1.1159060000e+00 -9.1934400000e-01 -1.2028000000e+00  2.0723380000e+00 -1.1319270000e+00 -2.3568970000e+00
-ENERGY -1.526614303728e+02
-FORCES  3.8140000000e-04 -2.5967000000e-03  3.2282000000e-03  2.9873000000e-03  3.5055000000e-03 -1.5601000000e-03 -2.3050000000e-03 -3.2590000000e-03 -2.5233000000e-03 -6.3292000000e-03  7.1604000000e-03  4.5865000000e-03  6.9528000000e-03 -4.6601000000e-03 -6.8054000000e-03 -1.6872000000e-03 -1.5010000000e-04  3.0740000000e-03
-
-JOB 5
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8607200000e-01  4.2097800000e-01  5.1799000000e-01  3.3582900000e-01 -6.9495000000e-01  5.6612300000e-01 -3.1706960000e+00  3.5894000000e-02 -1.7185000000e-02 -2.7965730000e+00 -8.1760400000e-01  2.0145700000e-01 -3.8454850000e+00 -1.5745600000e-01 -6.6795900000e-01
-ENERGY -1.526560381458e+02
-FORCES -2.4577000000e-03  1.8051000000e-03  3.5342000000e-03  5.2116000000e-03 -3.8033000000e-03 -5.7620000000e-04 -2.7862000000e-03  2.0961000000e-03 -2.5818000000e-03 -7.8160000000e-04 -4.5238000000e-03 -4.4494000000e-03 -1.6222000000e-03  4.2009000000e-03  1.1529000000e-03  2.4360000000e-03  2.2510000000e-04  2.9203000000e-03
-
-JOB 6
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0703000000e-01 -6.0309600000e-01  5.4353300000e-01 -4.4478300000e-01 -5.6358400000e-01 -6.3306600000e-01 -1.8205000000e+00 -1.7460100000e+00 -1.7469380000e+00 -1.2835450000e+00 -2.1950180000e+00 -2.3998560000e+00 -2.2917420000e+00 -1.0766130000e+00 -2.2429940000e+00
-ENERGY -1.526607432130e+02
-FORCES -3.9641000000e-03 -7.5257000000e-03 -2.2373000000e-03 -1.3110000000e-03  1.8176000000e-03 -2.0701000000e-03  6.9868000000e-03  6.6894000000e-03  3.7682000000e-03 -3.4665000000e-03 -7.8230000000e-04 -6.0396000000e-03 -1.7547000000e-03  3.1266000000e-03  4.0334000000e-03  3.5095000000e-03 -3.3257000000e-03  2.5455000000e-03
-
-JOB 7
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7764000000e-01 -7.3934500000e-01 -3.7611300000e-01  6.6252700000e-01  4.9197900000e-01  4.8502200000e-01  1.6143670000e+00  1.5430230000e+00  1.4249760000e+00  1.7986540000e+00  7.7570700000e-01  1.9667280000e+00  2.4729300000e+00  1.8271670000e+00  1.1113450000e+00
-ENERGY -1.526561687448e+02
-FORCES  1.1084800000e-02  1.1230700000e-02  6.5901000000e-03  5.0570000000e-04  3.2874000000e-03  2.7340000000e-03 -3.3581000000e-03 -1.0814500000e-02  4.0930000000e-04 -6.2880000000e-04 -3.0349000000e-03 -3.4063000000e-03 -3.1323000000e-03  2.1511000000e-03 -8.4914000000e-03 -4.4712000000e-03 -2.8199000000e-03  2.1644000000e-03
-
-JOB 8
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.1293900000e-01  8.0280300000e-01  4.7581100000e-01  4.8535900000e-01 -5.3142700000e-01  6.3106600000e-01  1.6153180000e+00 -1.6420960000e+00 -1.5142930000e+00  1.1506050000e+00 -1.0690140000e+00 -2.1240880000e+00  2.2567720000e+00 -1.0718530000e+00 -1.0905120000e+00
-ENERGY -1.526543721973e+02
-FORCES  2.2270000000e-03 -4.9032000000e-03  3.0598000000e-03  2.2881000000e-03 -3.8492000000e-03 -3.0982000000e-03 -1.2549000000e-03  4.8049000000e-03 -1.0005000000e-03 -5.4987000000e-03  1.0808200000e-02  1.5151000000e-03  3.5420000000e-03 -3.6297000000e-03 -8.8170000000e-04 -1.3035000000e-03 -3.2311000000e-03  4.0540000000e-04
-
-JOB 9
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8263500000e-01  4.8799700000e-01 -4.6054300000e-01  4.6504200000e-01  6.6227000000e-01  5.1124000000e-01 -1.8003110000e+00  1.6242830000e+00  1.5341310000e+00 -2.5090910000e+00  2.0050440000e+00  2.0526720000e+00 -1.2339860000e+00  1.1986030000e+00  2.1777950000e+00
-ENERGY -1.526562287046e+02
-FORCES -5.7583000000e-03  8.3113000000e-03  1.1045000000e-03  4.2066000000e-03 -3.4647000000e-03 -1.3641000000e-03 -8.8270000000e-04 -3.5810000000e-03  6.7580000000e-04  3.8050000000e-04 -2.9955000000e-03  4.2165000000e-03  3.1956000000e-03 -2.4836000000e-03 -2.2730000000e-03 -1.1418000000e-03  4.2135000000e-03 -2.3597000000e-03
-
-JOB 10
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0463700000e-01 -7.2758400000e-01  4.7235900000e-01 -7.4524900000e-01 -3.9343200000e-01 -4.5392500000e-01 -3.4405220000e+00 -4.6030000000e-02 -7.6286000000e-02 -2.8492460000e+00 -5.4916300000e-01  4.8360900000e-01 -4.0137150000e+00 -7.0289500000e-01 -4.7152100000e-01
-ENERGY -1.526544120941e+02
-FORCES -7.6390000000e-04 -3.0690000000e-03 -1.9329000000e-03 -2.8267000000e-03  2.9847000000e-03 -1.6876000000e-03  3.8298000000e-03 -3.0350000000e-04  4.4125000000e-03 -2.1473000000e-03 -3.4746000000e-03  2.5946000000e-03 -1.3970000000e-03  1.0365000000e-03 -5.0153000000e-03  3.3051000000e-03  2.8259000000e-03  1.6287000000e-03
-
-JOB 11
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8822700000e-01 -6.3168800000e-01 -4.1375300000e-01  5.6751600000e-01  5.1859400000e-01  5.7027800000e-01 -1.4333240000e+00 -1.7634200000e+00 -1.5926230000e+00 -1.9571770000e+00 -1.0606890000e+00 -1.2079430000e+00 -2.0421040000e+00 -2.2311900000e+00 -2.1642960000e+00
-ENERGY -1.526585748526e+02
-FORCES  3.8465000000e-03 -3.5665000000e-03 -1.8045000000e-03  1.2600000000e-05  4.9479000000e-03  3.8058000000e-03 -1.9776000000e-03 -2.5966000000e-03 -2.5876000000e-03 -3.4481000000e-03  3.8981000000e-03  1.9673000000e-03 -5.6270000000e-04 -5.1207000000e-03 -4.0095000000e-03  2.1293000000e-03  2.4378000000e-03  2.6285000000e-03
-
-JOB 12
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7723700000e-01  4.2029000000e-01 -5.3003600000e-01 -4.6361300000e-01 -3.1514200000e-01  7.7587400000e-01  1.2813070000e+00 -1.6230840000e+00 -1.5203150000e+00  9.6920400000e-01 -1.1059660000e+00 -7.7774300000e-01  1.8714200000e+00 -1.0347560000e+00 -1.9913460000e+00
-ENERGY -1.526569975421e+02
-FORCES  2.7002000000e-03 -8.6357000000e-03 -1.1187000000e-02  2.6027000000e-03 -1.1096000000e-03  4.5233000000e-03  2.1074000000e-03  9.2660000000e-04 -5.1785000000e-03 -9.1975000000e-03  1.5099100000e-02  1.3074600000e-02  4.4754000000e-03 -5.8416000000e-03 -2.5737000000e-03 -2.6882000000e-03 -4.3890000000e-04  1.3412000000e-03
-
-JOB 13
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9862400000e-01  5.7822700000e-01 -5.7728700000e-01  6.4802100000e-01  5.7204300000e-01  4.1117900000e-01  1.6850990000e+00  1.5451320000e+00 -1.4921180000e+00  2.0748140000e+00  2.2790060000e+00 -1.9672840000e+00  1.1813220000e+00  1.0712080000e+00 -2.1538100000e+00
-ENERGY -1.526555781850e+02
-FORCES  7.0135000000e-03  1.0475900000e-02 -3.2494000000e-03  5.7550000000e-04 -3.4550000000e-03 -9.7520000000e-04 -3.6605000000e-03 -3.6335000000e-03  2.4013000000e-03 -1.8481000000e-03 -4.1625000000e-03 -3.0349000000e-03 -2.6958000000e-03 -3.7717000000e-03  2.4974000000e-03  6.1540000000e-04  4.5468000000e-03  2.3608000000e-03
-
-JOB 14
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6663500000e-01  4.8981200000e-01  6.7717700000e-01  5.0232800000e-01  6.6347100000e-01 -4.7297500000e-01 -3.4955930000e+00  3.4930000000e-02  4.7368000000e-02 -2.8113420000e+00  6.2219600000e-01 -2.7380500000e-01 -3.7516780000e+00 -4.7731300000e-01 -7.1961200000e-01
-ENERGY -1.526549517389e+02
-FORCES  1.8684000000e-03  3.3556000000e-03  2.8634000000e-03  1.4582000000e-03 -9.5770000000e-04 -4.7914000000e-03 -3.2115000000e-03 -2.8068000000e-03  1.6815000000e-03  3.0900000000e-03 -1.5177000000e-03 -5.8014000000e-03 -3.2149000000e-03 -4.5330000000e-04  3.0366000000e-03  9.8000000000e-06  2.3798000000e-03  3.0112000000e-03
-
-JOB 15
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9098800000e-01  4.0235000000e-01 -6.3645900000e-01  6.3894200000e-01 -4.7416700000e-01 -5.3211900000e-01 -1.8390910000e+00 -1.5175690000e+00 -1.8311260000e+00 -1.1133240000e+00 -1.3252950000e+00 -2.4248640000e+00 -2.4149040000e+00 -2.0931590000e+00 -2.3344800000e+00
-ENERGY -1.526524852569e+02
-FORCES -3.9441000000e-03 -3.3870000000e-03 -5.1696000000e-03  4.8474000000e-03  3.0000000000e-04  1.5460000000e-03 -1.9839000000e-03  2.2569000000e-03  9.1170000000e-04  3.6790000000e-04 -2.6801000000e-03 -3.7706000000e-03 -2.2891000000e-03  1.0496000000e-03  3.7585000000e-03  3.0017000000e-03  2.4606000000e-03  2.7240000000e-03
-
-JOB 16
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5841900000e-01 -5.6850400000e-01 -5.3028600000e-01 -2.5882600000e-01  7.0424800000e-01 -5.9437000000e-01  1.6741210000e+00 -1.4561140000e+00 -1.6104830000e+00  2.3368750000e+00 -1.9907370000e+00 -1.1732560000e+00  2.1750400000e+00 -8.6583900000e-01 -2.1734100000e+00
-ENERGY -1.526602350934e+02
-FORCES  8.0095000000e-03 -7.1891000000e-03 -1.0666300000e-02 -5.6296000000e-03  5.6157000000e-03  6.4188000000e-03  1.6569000000e-03 -1.9379000000e-03  9.9410000000e-04  1.6682000000e-03  2.9968000000e-03  2.6564000000e-03 -3.0724000000e-03  3.4528000000e-03 -2.6814000000e-03 -2.6325000000e-03 -2.9383000000e-03  3.2784000000e-03
-
-JOB 17
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2887800000e-01  5.8702400000e-01 -5.4029900000e-01 -5.0434900000e-01 -5.1590900000e-01 -6.2904800000e-01  1.6233890000e+00  1.5991710000e+00  1.4557120000e+00  1.2246310000e+00  2.4449080000e+00  1.2508840000e+00  9.7499000000e-01  1.1539610000e+00  2.0012380000e+00
-ENERGY -1.526559442971e+02
-FORCES  5.6654000000e-03  3.5551000000e-03 -1.7079000000e-03 -5.4711000000e-03 -2.5394000000e-03 -1.0692000000e-03  3.1094000000e-03  3.0416000000e-03  2.8247000000e-03 -8.9934000000e-03 -4.2351000000e-03  6.5400000000e-04  1.6385000000e-03 -3.7606000000e-03 -1.3019000000e-03  4.0513000000e-03  3.9384000000e-03  6.0020000000e-04
-
-JOB 18
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8737800000e-01  5.6536300000e-01 -3.5228900000e-01 -5.3209000000e-02 -7.2769100000e-01 -6.1957000000e-01 -1.6357430000e+00 -1.9867450000e+00  1.7896910000e+00 -2.1018960000e+00 -1.4845620000e+00  1.1213000000e+00 -9.8525700000e-01 -2.4909190000e+00  1.3009090000e+00
-ENERGY -1.526528483580e+02
-FORCES  3.5385000000e-03  2.7560000000e-04 -3.4733000000e-03 -3.0195000000e-03 -2.7940000000e-03  1.8365000000e-03 -1.1689000000e-03  2.0142000000e-03  3.7256000000e-03  3.1689000000e-03  3.9289000000e-03 -4.9993000000e-03  4.1940000000e-04 -4.1415000000e-03  2.0322000000e-03 -2.9384000000e-03  7.1680000000e-04  8.7830000000e-04
-
-JOB 19
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8306200000e-01 -2.6881500000e-01  4.8039900000e-01  3.3359000000e-01  3.4988200000e-01 -8.2615500000e-01  1.7059890000e+00 -1.8171840000e+00  1.6142830000e+00  2.2778680000e+00 -2.3824930000e+00  1.0950410000e+00  2.3049820000e+00 -1.2410030000e+00  2.0891040000e+00
-ENERGY -1.526578367186e+02
-FORCES  5.8547000000e-03 -4.4382000000e-03  2.4281000000e-03 -3.1496000000e-03  8.1994000000e-03 -4.4507000000e-03 -3.0910000000e-04 -1.9671000000e-03  3.2151000000e-03  4.1180000000e-03 -4.2606000000e-03  9.9690000000e-04 -2.4041000000e-03  3.5496000000e-03  2.5561000000e-03 -4.1099000000e-03 -1.0832000000e-03 -4.7455000000e-03
-
-JOB 20
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3436900000e-01 -5.3006400000e-01 -6.6827200000e-01  7.0721300000e-01  2.8074400000e-01  5.8074400000e-01 -3.2479350000e+00  1.7691900000e-01  1.0841200000e-01 -3.7579520000e+00  8.0865200000e-01 -3.9856700000e-01 -2.5990380000e+00  7.0781600000e-01  5.7027000000e-01
-ENERGY -1.526555013396e+02
-FORCES  4.5697000000e-03 -3.1241000000e-03 -2.1431000000e-03 -7.5400000000e-04  2.5986000000e-03  3.0414000000e-03 -3.8303000000e-03 -7.3890000000e-04 -2.2026000000e-03  3.9613000000e-03  4.2665000000e-03 -2.4300000000e-04  1.9758000000e-03 -2.4861000000e-03  1.7146000000e-03 -5.9225000000e-03 -5.1600000000e-04 -1.6740000000e-04
-
-JOB 21
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4162000000e-01 -5.8288100000e-01 -5.3210000000e-01 -6.6160300000e-01  3.3288900000e-01 -6.0638200000e-01  1.7711710000e+00 -1.7082270000e+00 -1.9893410000e+00  2.4082850000e+00 -2.0686040000e+00 -1.3725380000e+00  2.2784480000e+00 -1.1065450000e+00 -2.5342100000e+00
-ENERGY -1.526608045831e+02
-FORCES  1.1989000000e-03 -3.8328000000e-03 -7.4812000000e-03 -3.7155000000e-03  5.0942000000e-03  7.3839000000e-03  2.1056000000e-03 -4.7680000000e-04  2.1224000000e-03  6.8373000000e-03 -7.1770000000e-04 -2.4229000000e-03 -3.8712000000e-03  2.8575000000e-03 -2.4876000000e-03 -2.5552000000e-03 -2.9243000000e-03  2.8854000000e-03
-
-JOB 22
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5027600000e-01  4.4930200000e-01 -5.3990700000e-01 -4.9944600000e-01 -3.4446600000e-01  7.4035700000e-01 -1.5042910000e+00 -1.9752890000e+00 -1.4573360000e+00 -2.1457550000e+00 -1.3546020000e+00 -1.1116430000e+00 -8.8974200000e-01 -1.4341690000e+00 -1.9530670000e+00
-ENERGY -1.526497978788e+02
-FORCES -6.8802000000e-03 -5.5455000000e-03  4.2000000000e-04  1.4549000000e-03 -3.7584000000e-03 -2.5280000000e-04  1.4563000000e-03  3.2083000000e-03 -2.5648000000e-03  5.8643000000e-03  7.8654000000e-03  2.8489000000e-03  2.6269000000e-03 -7.2560000000e-04 -7.5300000000e-05 -4.5221000000e-03 -1.0443000000e-03 -3.7600000000e-04
-
-JOB 23
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2100500000e-01 -3.7475100000e-01  7.1017400000e-01  6.2521900000e-01  5.1421900000e-01 -5.1079500000e-01  1.5309740000e+00 -1.4480110000e+00  1.6546090000e+00  1.9747230000e+00 -2.0442840000e+00  1.0514700000e+00  2.2252050000e+00 -8.7457600000e-01  1.9793370000e+00
-ENERGY -1.526582087076e+02
-FORCES  1.0604500000e-02 -8.5040000000e-03  1.0585100000e-02 -3.8714000000e-03  7.6921000000e-03 -6.0696000000e-03 -4.7470000000e-04 -2.4049000000e-03  2.3919000000e-03 -7.9000000000e-05  4.9030000000e-04 -6.1428000000e-03 -1.2979000000e-03  4.2945000000e-03  3.5536000000e-03 -4.8815000000e-03 -1.5680000000e-03 -4.3182000000e-03
-
-JOB 24
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6698100000e-01 -4.6887300000e-01  5.0152400000e-01  4.9317700000e-01  6.3197200000e-01 -5.2308700000e-01  1.8612850000e+00  1.5970430000e+00  1.5838270000e+00  2.4794450000e+00  1.1972170000e+00  9.7206900000e-01  1.3440600000e+00  2.1959350000e+00  1.0452740000e+00
-ENERGY -1.526504299584e+02
-FORCES  7.8565000000e-03  3.1164000000e-03  5.8206000000e-03 -1.7976000000e-03 -3.9300000000e-04 -4.2768000000e-03 -8.8530000000e-04 -1.3880000000e-04  1.8989000000e-03 -3.9492000000e-03  3.4110000000e-04 -5.4343000000e-03 -4.6566000000e-03 -3.8570000000e-04  1.5145000000e-03  3.4323000000e-03 -2.5399000000e-03  4.7710000000e-04
-
-JOB 25
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9227800000e-01  5.1839600000e-01 -5.4470500000e-01  4.6108700000e-01  6.4596100000e-01  5.3513100000e-01  1.4949860000e+00 -1.8511490000e+00  1.4990240000e+00  9.9145800000e-01 -1.3842110000e+00  2.1658510000e+00  1.7883930000e+00 -1.1671470000e+00  8.9712300000e-01
-ENERGY -1.526516267365e+02
-FORCES -7.1850000000e-04  2.9808000000e-03  2.4160000000e-04  2.6530000000e-03 -3.0003000000e-03  3.1492000000e-03  1.8520000000e-04 -5.7567000000e-03 -1.5177000000e-03 -7.1854000000e-03  6.5395000000e-03 -5.2057000000e-03  3.1672000000e-03 -8.2600000000e-04 -1.0446000000e-03  1.8985000000e-03  6.2700000000e-05  4.3773000000e-03
-
-JOB 26
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7038500000e-01 -3.8665600000e-01  5.6330500000e-01  3.9920100000e-01  6.8441500000e-01  5.3707200000e-01  1.6505590000e+00 -1.5404970000e+00  1.6838850000e+00  2.0410630000e+00 -2.3026730000e+00  2.1114670000e+00  9.6403800000e-01 -1.9044380000e+00  1.1248970000e+00
-ENERGY -1.526552759106e+02
-FORCES  3.3762000000e-03  2.2824000000e-03  7.9830000000e-03  3.8894000000e-03 -1.6660000000e-03 -2.7543000000e-03 -3.4920000000e-03 -1.0666000000e-03 -3.5070000000e-03 -2.1421000000e-03 -1.7692000000e-03 -4.8592000000e-03 -2.4251000000e-03  3.3143000000e-03 -2.7584000000e-03  7.9360000000e-04 -1.0950000000e-03  5.8959000000e-03
-
-JOB 27
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2037300000e-01 -3.5840800000e-01 -5.1849700000e-01 -5.5270900000e-01  4.5215900000e-01 -6.3741500000e-01  1.7212500000e+00  1.4717010000e+00  1.5498590000e+00  1.3276690000e+00  2.2202120000e+00  1.9982540000e+00  9.9214700000e-01  8.6896900000e-01  1.4037270000e+00
-ENERGY -1.526592951015e+02
-FORCES  4.9160000000e-03  5.4193000000e-03 -3.1423000000e-03 -4.1835000000e-03  1.4301000000e-03  2.5886000000e-03  2.4474000000e-03 -2.5718000000e-03  2.1140000000e-03 -1.0226000000e-02 -4.7403000000e-03 -5.0370000000e-03  1.7220000000e-04 -2.4983000000e-03 -2.1636000000e-03  6.8740000000e-03  2.9611000000e-03  5.6404000000e-03
-
-JOB 28
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8356600000e-01  3.2770100000e-01 -5.8445000000e-01 -4.0480800000e-01 -7.4085400000e-01  4.5110700000e-01  1.8688850000e+00  1.7021760000e+00  1.8603110000e+00  2.2479590000e+00  9.2383500000e-01  2.2686250000e+00  1.2668860000e+00  1.3579830000e+00  1.2004920000e+00
-ENERGY -1.526606518987e+02
-FORCES -5.5200000000e-03 -2.7468000000e-03 -1.3839000000e-03  2.8891000000e-03 -1.9379000000e-03  2.9500000000e-03  1.8166000000e-03  3.3696000000e-03 -2.3186000000e-03 -3.2209000000e-03 -6.6705000000e-03 -4.1754000000e-03 -1.1001000000e-03  2.5127000000e-03 -5.6360000000e-04  5.1354000000e-03  5.4728000000e-03  5.4915000000e-03
-
-JOB 29
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2435500000e-01 -5.1730100000e-01 -6.1129600000e-01 -5.2100800000e-01  5.7648700000e-01 -5.5896800000e-01  1.8636700000e+00  1.5276250000e+00 -1.6926440000e+00  1.3990640000e+00  1.8038090000e+00 -9.0264700000e-01  1.2474250000e+00  9.5097200000e-01 -2.1442470000e+00
-ENERGY -1.526517881143e+02
-FORCES  2.3884000000e-03 -7.1400000000e-04 -5.6768000000e-03 -3.2969000000e-03  3.3854000000e-03  7.4390000000e-04  5.2764000000e-03 -5.9130000000e-04  1.4774000000e-03 -6.0252000000e-03 -2.8569000000e-03  6.0072000000e-03  9.1150000000e-04  1.0869000000e-03 -5.2049000000e-03  7.4580000000e-04 -3.1010000000e-04  2.6531000000e-03
-
-JOB 30
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8088000000e-01 -6.4192600000e-01 -2.0140800000e-01 -4.4073300000e-01 -3.5223700000e-01  7.7325000000e-01 -1.9496190000e+00 -1.5139060000e+00 -1.5311640000e+00 -1.3916400000e+00 -1.1761050000e+00 -2.2317220000e+00 -2.6184250000e+00 -2.0278110000e+00 -1.9837480000e+00
-ENERGY -1.526540712589e+02
-FORCES -3.8581000000e-03 -7.1538000000e-03  1.8125000000e-03 -2.0653000000e-03  2.9678000000e-03 -3.2210000000e-04  3.4819000000e-03  2.4966000000e-03 -1.1061000000e-03  1.9887000000e-03  2.8020000000e-03 -4.4191000000e-03 -2.7500000000e-03 -3.7020000000e-03  1.2453000000e-03  3.2028000000e-03  2.5893000000e-03  2.7895000000e-03
-
-JOB 31
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6045100000e-01  5.8017100000e-01  5.1529400000e-01  5.9208000000e-01  5.9014000000e-01 -4.6627000000e-01 -1.5143310000e+00 -1.5451280000e+00  1.8126840000e+00 -1.0349550000e+00 -2.0687350000e+00  1.1706040000e+00 -2.2166880000e+00 -1.1327720000e+00  1.3098040000e+00
-ENERGY -1.526555236337e+02
-FORCES -1.1433000000e-03  3.4278000000e-03  4.1843000000e-03  1.0155000000e-03 -9.7320000000e-04 -4.9100000000e-03 -2.7040000000e-03 -2.6955000000e-03  2.9481000000e-03  3.7591000000e-03  2.8370000000e-04 -9.0251000000e-03 -3.6487000000e-03 -8.1620000000e-04  4.0669000000e-03  2.7213000000e-03  7.7350000000e-04  2.7357000000e-03
-
-JOB 32
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5473300000e-01  5.7819100000e-01 -5.2363900000e-01 -4.2568400000e-01 -5.6937600000e-01 -6.4096400000e-01 -9.0234000000e-02 -3.2561800000e+00 -2.1526000000e-01  5.4676200000e-01 -2.8869610000e+00 -8.2693300000e-01 -4.6563000000e-01 -4.0031200000e+00 -6.8151300000e-01
-ENERGY -1.526542282941e+02
-FORCES -1.5135000000e-03 -7.2930000000e-04 -3.3514000000e-03 -1.9161000000e-03 -3.3765000000e-03  1.9782000000e-03  3.5316000000e-03  4.0666000000e-03  8.1910000000e-04  2.8416000000e-03 -3.0017000000e-03 -2.7846000000e-03 -4.4793000000e-03 -8.2740000000e-04  1.3231000000e-03  1.5357000000e-03  3.8683000000e-03  2.0157000000e-03
-
-JOB 33
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6502900000e-01 -5.3178200000e-01 -5.6052000000e-01 -3.9263900000e-01  6.4026200000e-01 -5.9340600000e-01 -1.6932060000e+00 -1.7132330000e+00 -1.7939760000e+00 -2.2804690000e+00 -1.1712460000e+00 -1.2670940000e+00 -1.2398200000e+00 -1.0919190000e+00 -2.3637490000e+00
-ENERGY -1.526514339809e+02
-FORCES -3.9310000000e-04 -3.9666000000e-03 -6.2169000000e-03 -1.0609000000e-03  4.0821000000e-03  1.6094000000e-03 -2.3800000000e-05 -3.2845000000e-03  1.3599000000e-03  5.4290000000e-04  6.4610000000e-03  4.5389000000e-03  9.9490000000e-04 -1.7146000000e-03 -4.0629000000e-03 -6.0100000000e-05 -1.5774000000e-03  2.7717000000e-03
-
-JOB 34
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3193000000e-01 -5.1589600000e-01  6.8082300000e-01 -6.4281100000e-01 -5.9740200000e-01 -3.8227800000e-01 -1.6606180000e+00  1.5307370000e+00  2.0450940000e+00 -1.1816330000e+00  9.1903100000e-01  1.4859690000e+00 -9.9143100000e-01  1.9087720000e+00  2.6156280000e+00
-ENERGY -1.526590399856e+02
-FORCES  1.3665000000e-03 -5.8388000000e-03 -3.1026000000e-03 -4.2851000000e-03  4.5534000000e-03 -1.7170000000e-03  3.0041000000e-03  3.5166000000e-03  3.3621000000e-03  7.2444000000e-03 -1.6885000000e-03 -5.3007000000e-03 -5.3322000000e-03  1.3558000000e-03  8.3976000000e-03 -1.9978000000e-03 -1.8984000000e-03 -1.6394000000e-03
-
-JOB 35
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5860300000e-01  6.0965000000e-01  5.7813700000e-01  7.3828000000e-01  5.0364800000e-01 -3.4280200000e-01 -1.4685060000e+00 -1.5517510000e+00 -1.7339460000e+00 -1.9952980000e+00 -2.0210860000e+00 -1.0870710000e+00 -1.0525510000e+00 -8.4626500000e-01 -1.2384640000e+00
-ENERGY -1.526599764758e+02
-FORCES  3.9880000000e-04  8.9730000000e-04 -1.3740000000e-03  2.1213000000e-03 -3.4559000000e-03 -3.6378000000e-03 -4.6290000000e-03 -1.9769000000e-03  2.0787000000e-03  6.9845000000e-03  6.3015000000e-03  1.1359100000e-02  9.4100000000e-04  1.6820000000e-03 -1.5842000000e-03 -5.8166000000e-03 -3.4480000000e-03 -6.8419000000e-03
-
-JOB 36
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0487000000e-01 -5.5770400000e-01  5.9186500000e-01 -6.0119300000e-01 -6.0030200000e-01 -4.4095000000e-01  1.6861180000e+00  1.5968480000e+00  1.6238320000e+00  1.0246580000e+00  1.1094420000e+00  2.1148910000e+00  1.9626050000e+00  2.2931600000e+00  2.2195980000e+00
-ENERGY -1.526521508109e+02
-FORCES  2.3994000000e-03 -4.0105000000e-03 -6.6300000000e-05 -4.1984000000e-03  3.0360000000e-03  3.8800000000e-05  2.9004000000e-03  3.3453000000e-03  1.8083000000e-03 -4.3454000000e-03  1.1061000000e-03  2.4962000000e-03  4.8632000000e-03 -8.3130000000e-04 -1.1971000000e-03 -1.6192000000e-03 -2.6456000000e-03 -3.0800000000e-03
-
-JOB 37
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9546200000e-01 -4.5228300000e-01 -5.9757600000e-01  5.6519100000e-01  5.8426400000e-01  5.0539700000e-01  1.6247150000e+00  1.6406500000e+00 -1.6385670000e+00  2.2222370000e+00  2.1626840000e+00 -2.1739930000e+00  1.2862860000e+00  9.7443000000e-01 -2.2367700000e+00
-ENERGY -1.526541980108e+02
-FORCES  8.9194000000e-03  6.1924000000e-03 -2.0486000000e-03 -3.0929000000e-03  7.0080000000e-04 -1.2353000000e-03 -3.4987000000e-03 -3.8147000000e-03  1.3575000000e-03 -2.3726000000e-03 -1.1728000000e-03 -4.2716000000e-03 -3.3202000000e-03 -2.5049000000e-03  2.7755000000e-03  3.3651000000e-03  5.9910000000e-04  3.4225000000e-03
-
-JOB 38
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2061800000e-01  2.6741300000e-01  6.7790600000e-01  4.3680600000e-01 -7.6971200000e-01  3.6465900000e-01  1.5753310000e+00  1.5077520000e+00  1.7864330000e+00  1.9718880000e+00  7.8597900000e-01  1.2985630000e+00  8.9627300000e-01  1.0931900000e+00  2.3186460000e+00
-ENERGY -1.526480986530e+02
-FORCES  7.0450000000e-04  3.3935000000e-03  6.9819000000e-03  2.8210000000e-03 -2.1590000000e-03 -1.1254000000e-03  7.5970000000e-04  5.3703000000e-03 -2.4300000000e-05 -5.6320000000e-03 -7.8395000000e-03 -7.7680000000e-03  8.7240000000e-04  4.1300000000e-04  3.8833000000e-03  4.7440000000e-04  8.2170000000e-04 -1.9475000000e-03
-
-JOB 39
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0522800000e-01 -5.7109400000e-01 -3.0452600000e-01  3.4868300000e-01  4.1101700000e-01  7.9102300000e-01 -1.3792590000e+00  1.6453080000e+00  1.7128520000e+00 -1.9551400000e+00  2.2454750000e+00  2.1865520000e+00 -1.9634330000e+00  9.6282200000e-01  1.3824190000e+00
-ENERGY -1.526590829514e+02
-FORCES  2.6879000000e-03  3.1760000000e-03  3.8755000000e-03 -2.3610000000e-03  2.9246000000e-03  1.8530000000e-03  6.0270000000e-04 -5.5196000000e-03 -4.7979000000e-03 -3.8981000000e-03 -2.0114000000e-03 -2.6350000000e-03  1.5906000000e-03 -2.8028000000e-03 -2.5365000000e-03  1.3779000000e-03  4.2332000000e-03  4.2410000000e-03
-
-JOB 40
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8957500000e-01  5.1064700000e-01 -4.2421500000e-01 -4.3772700000e-01 -4.3125800000e-01  7.3392300000e-01  1.6337720000e+00  1.5732110000e+00  1.5668480000e+00  1.0482550000e+00  2.0509480000e+00  2.1543590000e+00  1.0498660000e+00  1.0395560000e+00  1.0278700000e+00
-ENERGY -1.526591871002e+02
-FORCES -2.5050000000e-03  1.1674000000e-03  7.8060000000e-04  3.5673000000e-03 -2.4970000000e-03  3.7564000000e-03  3.5233000000e-03  5.4020000000e-03 -2.8343000000e-03 -9.1279000000e-03 -6.8308000000e-03 -8.4712000000e-03  4.2790000000e-04 -2.5083000000e-03 -2.4911000000e-03  4.1144000000e-03  5.2668000000e-03  9.2597000000e-03
-
-JOB 41
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4581700000e-01  6.5347200000e-01 -6.5481300000e-01 -5.9024000000e-01 -5.9406400000e-01 -4.6361300000e-01 -1.5986090000e+00  1.6757110000e+00 -1.4288860000e+00 -1.2723780000e+00  1.0893820000e+00 -2.1115460000e+00 -2.2014660000e+00  1.1363030000e+00 -9.1718900000e-01
-ENERGY -1.526486799963e+02
-FORCES -7.2649000000e-03  9.2440000000e-03 -8.3961000000e-03  1.8329000000e-03 -4.8292000000e-03 -8.2780000000e-04 -2.0750000000e-04  2.8537000000e-03  7.0220000000e-04  1.4845000000e-03 -9.1241000000e-03  6.8734000000e-03  2.5031000000e-03  8.3980000000e-04  5.6128000000e-03  1.6519000000e-03  1.0158000000e-03 -3.9645000000e-03
-
-JOB 42
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4345900000e-01 -6.8097400000e-01  5.7839600000e-01 -5.2934000000e-01 -4.7424800000e-01 -6.4118700000e-01 -1.6303210000e+00 -1.5871610000e+00 -1.8403060000e+00 -1.1122520000e+00 -2.2924370000e+00 -2.2281490000e+00 -2.2179200000e+00 -2.0298330000e+00 -1.2279340000e+00
-ENERGY -1.526607047677e+02
-FORCES -4.8010000000e-03 -7.0791000000e-03 -5.9737000000e-03 -1.5105000000e-03  1.5252000000e-03 -2.0419000000e-03  5.7262000000e-03  4.7995000000e-03  8.0979000000e-03 -1.4555000000e-03 -5.0305000000e-03 -8.3330000000e-04 -2.5793000000e-03  3.4407000000e-03  3.1672000000e-03  4.6200000000e-03  2.3442000000e-03 -2.4162000000e-03
-
-JOB 43
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3046800000e-01  4.3698400000e-01 -7.8490000000e-01 -7.7320100000e-01 -4.0534200000e-01  3.9254200000e-01 -2.0685400000e-01  3.0779250000e+00  1.2884800000e-01 -6.8684900000e-01  3.4739810000e+00 -5.9845900000e-01  1.0830700000e-01  3.8220250000e+00  6.4189800000e-01
-ENERGY -1.526523191915e+02
-FORCES -4.5561000000e-03  4.8896000000e-03 -7.9370000000e-04  6.0720000000e-04 -3.8326000000e-03  1.0678000000e-03  2.9934000000e-03  1.1598000000e-03 -1.4647000000e-03  6.8420000000e-04  4.5896000000e-03  7.7340000000e-04  1.9353000000e-03 -3.5714000000e-03  2.6455000000e-03 -1.6641000000e-03 -3.2350000000e-03 -2.2282000000e-03
-
-JOB 44
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9848000000e-01  5.1445000000e-01 -6.3489400000e-01 -5.3154400000e-01 -5.9042600000e-01 -5.3393700000e-01 -1.6590770000e+00  1.6687830000e+00  1.8482850000e+00 -1.0059510000e+00  1.3287210000e+00  1.2367170000e+00 -2.3618670000e+00  2.0000150000e+00  1.2891760000e+00
-ENERGY -1.526601481036e+02
-FORCES -1.8060000000e-04 -3.5493000000e-03 -4.8117000000e-03 -3.7848000000e-03 -1.6191000000e-03  3.6141000000e-03  3.0270000000e-03  3.3975000000e-03  1.7211000000e-03  3.4510000000e-03 -4.3798000000e-03 -7.2022000000e-03 -4.7819000000e-03  7.4369000000e-03  5.2477000000e-03  2.2693000000e-03 -1.2862000000e-03  1.4311000000e-03
-
-JOB 45
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5622400000e-01  3.6576600000e-01 -6.8779500000e-01 -5.6401700000e-01 -6.2232000000e-01  4.5916600000e-01  1.7985730000e+00  1.5580360000e+00 -1.7829610000e+00  1.1077000000e+00  2.1266510000e+00 -1.4429580000e+00  2.1411970000e+00  1.1084410000e+00 -1.0104940000e+00
-ENERGY -1.526566096285e+02
-FORCES -4.1580000000e-03 -1.5025000000e-03 -2.8863000000e-03  1.5050000000e-03  1.9700000000e-05  4.5606000000e-03  2.4513000000e-03  2.6498000000e-03 -2.6338000000e-03 -2.0059000000e-03 -2.3791000000e-03  8.1733000000e-03  6.8290000000e-04 -2.1593000000e-03 -2.8403000000e-03  1.5246000000e-03  3.3714000000e-03 -4.3735000000e-03
-
-JOB 46
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8868400000e-01  4.1033100000e-01  6.3349100000e-01 -5.4569400000e-01 -6.4240900000e-01 -4.5360800000e-01 -1.5581820000e+00 -1.7156480000e+00 -1.5233550000e+00 -2.1854740000e+00 -1.2610180000e+00 -2.0855360000e+00 -2.0892380000e+00 -2.0746230000e+00 -8.1247700000e-01
-ENERGY -1.526590780983e+02
-FORCES -8.3204000000e-03 -7.4252000000e-03 -7.4017000000e-03  5.4530000000e-04 -2.3721000000e-03 -2.5910000000e-03  3.7265000000e-03  5.2067000000e-03  9.2572000000e-03 -2.8133000000e-03  2.3494000000e-03 -8.0250000000e-04  2.5355000000e-03 -2.8345000000e-03  3.8922000000e-03  4.3264000000e-03  5.0757000000e-03 -2.3541000000e-03
-
-JOB 47
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2547200000e-01 -1.8936100000e-01  5.9503300000e-01  4.1969200000e-01  3.4599100000e-01 -7.8764300000e-01 -1.9248060000e+00  1.5372680000e+00  1.5686550000e+00 -1.4939640000e+00  9.7136400000e-01  9.2806200000e-01 -2.4865970000e+00  2.1084380000e+00  1.0448350000e+00
-ENERGY -1.526612972427e+02
-FORCES  5.1549000000e-03  1.5439000000e-03  6.5540000000e-04 -2.9280000000e-03  7.6040000000e-04 -3.8478000000e-03 -1.5743000000e-03 -1.6765000000e-03  3.7624000000e-03  4.1693000000e-03 -3.9339000000e-03 -7.1437000000e-03 -7.1709000000e-03  5.2443000000e-03  5.6866000000e-03  2.3491000000e-03 -1.9383000000e-03  8.8710000000e-04
-
-JOB 48
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6175000000e-01  5.5934300000e-01 -6.2462300000e-01 -7.5086100000e-01 -3.3678500000e-01 -4.8889200000e-01  1.9373620000e+00  1.6445230000e+00 -1.6595550000e+00  2.4581330000e+00  9.4908800000e-01 -2.0613020000e+00  2.5401810000e+00  2.0767640000e+00 -1.0545690000e+00
-ENERGY -1.526616887526e+02
-FORCES  2.0537000000e-03  4.6280000000e-03 -6.0993000000e-03 -6.1981000000e-03 -7.0142000000e-03  5.5153000000e-03  3.0002000000e-03  1.1517000000e-03  9.7350000000e-04  6.8642000000e-03  4.3960000000e-04  6.6360000000e-04 -3.1683000000e-03  3.1953000000e-03  2.3302000000e-03 -2.5517000000e-03 -2.4004000000e-03 -3.3833000000e-03
-
-JOB 49
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6639300000e-01  5.9038300000e-01 -4.9686900000e-01  4.1865000000e-01  5.6158200000e-01  6.5237200000e-01 -1.5538540000e+00  1.6869290000e+00 -1.5643890000e+00 -1.9366570000e+00  2.2653170000e+00 -9.0472200000e-01 -2.2789830000e+00  1.1276810000e+00 -1.8430670000e+00
-ENERGY -1.526597829470e+02
-FORCES -5.6222000000e-03  1.0415200000e-02 -7.8786000000e-03  3.3039000000e-03 -6.8794000000e-03  8.4160000000e-03 -2.3441000000e-03 -6.2820000000e-04 -2.1369000000e-03 -3.4163000000e-03 -9.0480000000e-04  8.3070000000e-04  3.4880000000e-03 -4.8315000000e-03 -2.1580000000e-03  4.5908000000e-03  2.8287000000e-03  2.9268000000e-03
-
-JOB 50
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2644300000e-01  4.3777500000e-01 -5.7632900000e-01 -4.3619700000e-01 -6.4041200000e-01 -5.6199400000e-01  1.8204350000e+00  1.6689400000e+00 -1.5361700000e+00  1.3956860000e+00  2.2924350000e+00 -2.1253000000e+00  2.4190300000e+00  2.2023460000e+00 -1.0132990000e+00
-ENERGY -1.526619152434e+02
-FORCES  5.7636000000e-03  3.5186000000e-03 -6.8593000000e-03 -6.9813000000e-03 -6.4394000000e-03  5.4159000000e-03  1.4881000000e-03  2.6159000000e-03  1.0048000000e-03  2.6930000000e-04  4.9391000000e-03  9.0770000000e-04  2.4734000000e-03 -2.8021000000e-03  2.8357000000e-03 -3.0130000000e-03 -1.8322000000e-03 -3.3047000000e-03
-
-JOB 51
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1252100000e-01  5.6575000000e-01  4.7008100000e-01  4.6914400000e-01 -4.7058000000e-01  6.8897800000e-01  1.6668020000e+00 -1.5632830000e+00 -1.6817600000e+00  1.0115360000e+00 -9.9058000000e-01 -2.0803440000e+00  1.1567400000e+00 -2.2571060000e+00 -1.2638150000e+00
-ENERGY -1.526560577848e+02
-FORCES  3.4027000000e-03 -9.6250000000e-04  4.2193000000e-03  3.2377000000e-03 -2.7309000000e-03 -2.4862000000e-03 -4.2850000000e-03  1.5038000000e-03 -1.7600000000e-03 -9.1925000000e-03  4.2608000000e-03  2.4035000000e-03  3.8128000000e-03 -3.6690000000e-03 -2.2333000000e-03  3.0242000000e-03  1.5978000000e-03 -1.4320000000e-04
-
-JOB 52
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2589300000e-01  7.5097300000e-01 -4.1338300000e-01  5.9699500000e-01  3.8562800000e-01  6.4118600000e-01  1.6257330000e+00 -1.5634130000e+00  1.7674220000e+00  2.2178520000e+00 -2.0759280000e+00  2.3178350000e+00  2.1929190000e+00 -9.2623700000e-01  1.3332110000e+00
-ENERGY -1.526515078377e+02
-FORCES  2.2470000000e-04  3.0002000000e-03  3.5177000000e-03  1.7515000000e-03 -3.8048000000e-03  2.0591000000e-03  1.1700000000e-03 -9.0540000000e-04 -4.5366000000e-03  4.5389000000e-03 -7.6110000000e-04 -1.2776000000e-03 -3.0618000000e-03  1.9149000000e-03 -2.8284000000e-03 -4.6233000000e-03  5.5620000000e-04  3.0659000000e-03
-
-JOB 53
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8233100000e-01  4.0327900000e-01  5.3667700000e-01  3.7673800000e-01 -6.7824600000e-01  5.6061000000e-01  1.6595840000e+00 -1.9299020000e+00 -1.5919050000e+00  1.0480620000e+00 -2.3450690000e+00 -9.8370300000e-01  2.1655100000e+00 -1.3257530000e+00 -1.0485140000e+00
-ENERGY -1.526512323734e+02
-FORCES -1.5364000000e-03 -7.1050000000e-04  3.8938000000e-03  3.1024000000e-03 -2.2640000000e-03 -3.0304000000e-03  1.9000000000e-05  1.2358000000e-03 -3.9483000000e-03 -3.5229000000e-03  4.7246000000e-03  3.9485000000e-03  3.2907000000e-03  1.1381000000e-03 -1.7910000000e-04 -1.3528000000e-03 -4.1241000000e-03 -6.8460000000e-04
-
-JOB 54
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6489300000e-01 -5.1240600000e-01  6.6147300000e-01 -4.5402800000e-01 -6.5229600000e-01 -5.3347900000e-01  5.4045000000e-02 -3.3671160000e+00  8.3140000000e-02  5.2046900000e-01 -4.1326650000e+00  4.1872200000e-01  6.2509300000e-01 -3.0194030000e+00 -6.0186500000e-01
-ENERGY -1.526565520017e+02
-FORCES -2.0150000000e-03 -6.3614000000e-03  2.5607000000e-03 -5.1600000000e-05  3.7350000000e-03 -3.1512000000e-03  3.2137000000e-03  3.3249000000e-03 -1.0220000000e-04  4.1924000000e-03 -4.3343000000e-03 -1.4893000000e-03 -1.7529000000e-03  3.5913000000e-03 -1.5325000000e-03 -3.5866000000e-03  4.4600000000e-05  3.7145000000e-03
-
-JOB 55
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8223800000e-01  5.7594100000e-01  6.6213200000e-01  6.9865200000e-01 -4.6471200000e-01  4.6060700000e-01  1.8076300000e+00  1.4589930000e+00  1.4955870000e+00  1.1828430000e+00  2.0236580000e+00  1.0405860000e+00  2.4222490000e+00  2.0653070000e+00  1.9089370000e+00
-ENERGY -1.526553329165e+02
-FORCES  7.2436000000e-03  1.1988000000e-03  8.9117000000e-03  1.4192000000e-03  2.0937000000e-03 -3.7022000000e-03 -4.2571000000e-03 -1.2418000000e-03 -3.3869000000e-03 -1.4788000000e-03  2.9807000000e-03 -3.8437000000e-03  2.1390000000e-04 -2.4604000000e-03  4.8436000000e-03 -3.1408000000e-03 -2.5709000000e-03 -2.8224000000e-03
-
-JOB 56
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4826900000e-01  4.3292900000e-01  5.5547400000e-01  5.0204100000e-01  7.1736600000e-01 -3.8674500000e-01 -1.7434630000e+00  1.6442710000e+00 -1.5401210000e+00 -1.2682190000e+00  1.2282320000e+00 -2.2593480000e+00 -2.2228850000e+00  2.3625430000e+00 -1.9530030000e+00
-ENERGY -1.526559673354e+02
-FORCES -6.0271000000e-03  9.1300000000e-03 -1.1889000000e-03  3.8414000000e-03 -3.2394000000e-03  1.1072000000e-03  1.7540000000e-04 -3.7456000000e-03 -6.3000000000e-05  8.7160000000e-04 -2.7956000000e-03 -4.5360000000e-03 -1.5198000000e-03  4.1768000000e-03  2.3154000000e-03  2.6585000000e-03 -3.5262000000e-03  2.3652000000e-03
-
-JOB 57
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9030700000e-01 -4.4336400000e-01 -6.0926100000e-01  5.8109000000e-01  4.7038400000e-01  5.9775000000e-01  1.8632110000e+00  1.6310130000e+00 -1.5878210000e+00  2.1946060000e+00  2.2439470000e+00 -2.2441140000e+00  1.1216430000e+00  1.2010680000e+00 -2.0137950000e+00
-ENERGY -1.526564084051e+02
-FORCES  8.3968000000e-03  2.8080000000e-03  1.1038000000e-03 -4.0175000000e-03  2.5708000000e-03 -8.6300000000e-04 -3.9010000000e-03 -3.2349000000e-03 -4.8010000000e-04 -3.7670000000e-03  1.2183000000e-03 -3.3659000000e-03 -2.3045000000e-03 -2.5973000000e-03  2.8182000000e-03  5.5931000000e-03 -7.6500000000e-04  7.8690000000e-04
-
-JOB 58
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3044100000e-01 -3.7181100000e-01  7.0471400000e-01  6.9208800000e-01  4.8413400000e-01  4.5039900000e-01  1.8008730000e+00  1.8047290000e+00  1.5863640000e+00  2.3396420000e+00  1.3345560000e+00  2.2226790000e+00  2.4223800000e+00  2.3447000000e+00  1.0981090000e+00
-ENERGY -1.526610597555e+02
-FORCES  3.5028000000e-03  5.2629000000e-03  7.2599000000e-03  1.8510000000e-03  6.6580000000e-04 -2.0462000000e-03 -4.7968000000e-03 -7.2029000000e-03 -5.5886000000e-03  5.1361000000e-03  2.6324000000e-03  1.2647000000e-03 -3.0191000000e-03  1.8373000000e-03 -3.6876000000e-03 -2.6739000000e-03 -3.1954000000e-03  2.7978000000e-03
-
-JOB 59
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8687600000e-01  4.7620200000e-01 -6.7261800000e-01 -6.5392500000e-01 -5.5991600000e-01  4.1845900000e-01 -3.1771000000e-02 -2.6210600000e-01 -3.6738630000e+00  6.8279800000e-01 -6.1299800000e-01 -4.2053700000e+00 -3.7692900000e-01  4.6800200000e-01 -4.1877100000e+00
-ENERGY -1.526551304412e+02
-FORCES -4.4233000000e-03 -1.0034000000e-03 -3.4313000000e-03  1.0694000000e-03 -4.0720000000e-04  4.9327000000e-03  2.5204000000e-03  2.2032000000e-03 -1.2019000000e-03  3.0697000000e-03  4.4910000000e-04 -4.8117000000e-03 -3.3654000000e-03  1.5784000000e-03  1.5515000000e-03  1.1292000000e-03 -2.8200000000e-03  2.9607000000e-03
-
-JOB 60
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3753900000e-01 -5.0913100000e-01  3.3623500000e-01 -4.0243100000e-01 -5.6651700000e-01 -6.5828500000e-01  1.7604110000e+00  1.5898790000e+00  1.4486630000e+00  1.3132630000e+00  9.3270200000e-01  1.9819620000e+00  2.3690840000e+00  2.0153600000e+00  2.0525790000e+00
-ENERGY -1.526521671953e+02
-FORCES  4.1215000000e-03 -2.1655000000e-03 -1.8556000000e-03 -4.8404000000e-03  1.3649000000e-03  1.9078000000e-03  2.1773000000e-03  3.0588000000e-03  2.4482000000e-03 -2.8472000000e-03 -7.0650000000e-04  3.7716000000e-03  4.4676000000e-03  1.8050000000e-04 -2.9795000000e-03 -3.0788000000e-03 -1.7321000000e-03 -3.2924000000e-03
-
-JOB 61
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5631600000e-01  6.7299100000e-01 -3.9220800000e-01  6.2633200000e-01  4.8797800000e-01  5.3461900000e-01  1.5238500000e+00 -1.9276750000e+00 -1.5136880000e+00  1.1653110000e+00 -1.3194420000e+00 -8.6736500000e-01  2.1435640000e+00 -2.4647080000e+00 -1.0199460000e+00
-ENERGY -1.526601757565e+02
-FORCES -1.9456000000e-03  4.6553000000e-03 -2.1993000000e-03  2.6876000000e-03 -2.1066000000e-03  3.4053000000e-03 -1.9846000000e-03 -3.8199000000e-03 -3.6384000000e-03 -4.8649000000e-03  4.5977000000e-03  5.9760000000e-03  8.3774000000e-03 -6.2402000000e-03 -3.0256000000e-03 -2.2700000000e-03  2.9138000000e-03 -5.1800000000e-04
-
-JOB 62
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6534200000e-01 -6.3038900000e-01 -4.4635200000e-01  5.9096000000e-01  4.8886400000e-01  5.7272100000e-01  1.3110620000e+00  1.8684700000e+00  1.5910070000e+00  7.3597100000e-01  2.3803590000e+00  2.1597520000e+00  1.8762660000e+00  1.3851330000e+00  2.1936370000e+00
-ENERGY -1.526599500413e+02
-FORCES  6.7505000000e-03  8.1846000000e-03  5.2340000000e-03 -4.2460000000e-04  2.6790000000e-03  2.7305000000e-03 -2.7424000000e-03 -1.0035200000e-02 -4.3816000000e-03 -3.5666000000e-03  1.0773000000e-03  2.8905000000e-03  4.1178000000e-03 -2.5567000000e-03 -1.9028000000e-03 -4.1347000000e-03  6.5090000000e-04 -4.5706000000e-03
-
-JOB 63
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6908200000e-01 -6.5124500000e-01  5.2160700000e-01 -6.9291800000e-01 -4.9577000000e-01 -4.3624400000e-01  1.4846420000e+00 -1.7624710000e+00 -1.5863870000e+00  1.1324250000e+00 -1.3078690000e+00 -2.3515740000e+00  1.9605910000e+00 -1.0866340000e+00 -1.1037400000e+00
-ENERGY -1.526540768533e+02
-FORCES  1.2437000000e-03 -1.2273200000e-02 -4.4539000000e-03  1.1840000000e-03  4.1918000000e-03 -1.1592000000e-03  8.2640000000e-04  3.7570000000e-03  1.2295000000e-03 -3.6857000000e-03  1.2064600000e-02  1.6053000000e-03  6.1140000000e-04 -3.1487000000e-03  1.8972000000e-03 -1.8000000000e-04 -4.5915000000e-03  8.8110000000e-04
-
-JOB 64
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8125000000e-01 -5.2898500000e-01  4.1509600000e-01  4.7859500000e-01  6.1098100000e-01 -5.6025100000e-01  1.6563030000e+00  1.7605500000e+00 -1.7693890000e+00  2.3595100000e+00  1.2259800000e+00 -2.1381250000e+00  2.1063120000e+00  2.4073940000e+00 -1.2259590000e+00
-ENERGY -1.526608690966e+02
-FORCES  6.7695000000e-03  4.3309000000e-03 -4.9331000000e-03 -1.7049000000e-03  1.7808000000e-03 -1.5045000000e-03 -5.0732000000e-03 -6.2061000000e-03  7.1957000000e-03  5.5041000000e-03  1.8631000000e-03 -1.4119000000e-03 -3.3737000000e-03  2.5462000000e-03  2.9752000000e-03 -2.1217000000e-03 -4.3149000000e-03 -2.3214000000e-03
-
-JOB 65
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7642900000e-01  3.4154400000e-01  5.8482700000e-01 -4.6671100000e-01 -5.9895000000e-01 -5.8281300000e-01 -1.7174010000e+00  1.8765790000e+00 -1.8390280000e+00 -1.1094040000e+00  1.3425510000e+00 -2.3502870000e+00 -2.2477330000e+00  1.2417940000e+00 -1.3573360000e+00
-ENERGY -1.526514968680e+02
-FORCES -5.0232000000e-03  1.6404000000e-03  3.6180000000e-04  1.9882000000e-03 -2.7263000000e-03 -2.5782000000e-03  1.0725000000e-03  3.7260000000e-03  9.4840000000e-04  4.1481000000e-03 -5.6864000000e-03  1.4378000000e-03 -4.0171000000e-03  1.4736000000e-03  5.7040000000e-04  1.8314000000e-03  1.5728000000e-03 -7.4020000000e-04
-
-JOB 66
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9281900000e-01  4.9301500000e-01 -6.5597100000e-01 -6.7996500000e-01 -4.5152100000e-01 -5.0000800000e-01  1.3544880000e+00 -1.5333620000e+00 -1.7740230000e+00  1.9344850000e+00 -2.2387790000e+00 -2.0607680000e+00  8.2774600000e-01 -1.9241940000e+00 -1.0768680000e+00
-ENERGY -1.526555321346e+02
-FORCES  4.6229000000e-03 -5.4320000000e-04 -1.0600000000e-02 -3.4944000000e-03  6.1250000000e-04  4.2528000000e-03  3.8953000000e-03 -2.0702000000e-03  2.9385000000e-03 -1.5998000000e-03 -4.7780000000e-04  6.5706000000e-03 -2.7289000000e-03  2.9870000000e-03  2.8690000000e-03 -6.9510000000e-04 -5.0830000000e-04 -6.0309000000e-03
-
-JOB 67
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9137000000e-01 -5.0314700000e-01 -4.3021200000e-01 -4.6216000000e-01 -6.4067300000e-01  5.4053500000e-01  1.5330740000e+00  1.8018340000e+00  1.6981950000e+00  1.7849340000e+00  1.2314880000e+00  2.4244890000e+00  1.0564870000e+00  1.2290320000e+00  1.0973660000e+00
-ENERGY -1.526605348538e+02
-FORCES -1.0848000000e-03 -5.0309000000e-03 -4.9440000000e-04 -3.0139000000e-03  3.2296000000e-03  4.0206000000e-03  3.5021000000e-03  3.0848000000e-03 -2.4603000000e-03 -5.9961000000e-03 -7.7261000000e-03 -4.4545000000e-03 -1.0718000000e-03  1.0989000000e-03 -2.5370000000e-03  7.6646000000e-03  5.3436000000e-03  5.9256000000e-03
-
-JOB 68
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9196000000e-01 -3.8044500000e-01 -6.4890400000e-01 -2.9099200000e-01 -7.4526300000e-01  5.2548900000e-01 -1.9049500000e+00  1.7325890000e+00  1.8943770000e+00 -1.2453780000e+00  1.1033130000e+00  2.1862830000e+00 -2.4315120000e+00  1.2500930000e+00  1.2570700000e+00
-ENERGY -1.526538756327e+02
-FORCES  2.6753000000e-03 -4.5437000000e-03 -2.0059000000e-03 -2.8784000000e-03  1.7298000000e-03  2.9341000000e-03  1.2860000000e-04  4.8125000000e-03 -8.8890000000e-04  3.4712000000e-03 -4.4065000000e-03 -4.8857000000e-03 -3.7992000000e-03  9.7800000000e-04  1.0049000000e-03  4.0250000000e-04  1.4299000000e-03  3.8415000000e-03
-
-JOB 69
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1212800000e-01 -7.8540100000e-01 -4.4939200000e-01  7.4773300000e-01  2.9097300000e-01  5.2198000000e-01  1.5874730000e+00  1.6367680000e+00 -1.4314170000e+00  2.0900250000e+00  1.4032170000e+00 -6.5095000000e-01  1.0241350000e+00  8.7925100000e-01 -1.5896920000e+00
-ENERGY -1.526472321233e+02
-FORCES  7.8452000000e-03  4.6011000000e-03 -7.2750000000e-04  1.1410000000e-04  7.6550000000e-03 -1.4803000000e-03  5.7200000000e-05 -4.4070000000e-04 -4.4671000000e-03 -1.0240200000e-02 -9.4697000000e-03  9.0724000000e-03 -2.5901000000e-03 -8.0490000000e-04  4.9450000000e-04  4.8137000000e-03 -1.5409000000e-03 -2.8920000000e-03
-
-JOB 70
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5166800000e-01  5.5456000000e-01  6.9643700000e-01  5.3869800000e-01 -6.4613100000e-01  4.5667400000e-01  1.5724860000e+00  1.7044380000e+00 -1.7121850000e+00  2.1686540000e+00  1.2151410000e+00 -2.2791100000e+00  1.1368670000e+00  1.0337440000e+00 -1.1862210000e+00
-ENERGY -1.526613842702e+02
-FORCES -7.6370000000e-04  7.7690000000e-04  5.1673000000e-03  2.2499000000e-03 -3.5567000000e-03 -3.1664000000e-03 -1.9473000000e-03  3.9578000000e-03 -2.9113000000e-03 -5.1776000000e-03 -7.8606000000e-03  4.1284000000e-03 -2.0235000000e-03  5.0750000000e-04  2.6043000000e-03  7.6622000000e-03  6.1751000000e-03 -5.8223000000e-03
-
-JOB 71
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9025000000e-01 -5.3857300000e-01 -6.2114800000e-01  6.4671300000e-01  6.1396800000e-01  3.4790400000e-01 -1.4850310000e+00  1.8108250000e+00 -1.6182850000e+00 -1.0444780000e+00  1.0616650000e+00 -1.2171570000e+00 -2.1373150000e+00  1.4218950000e+00 -2.2009440000e+00
-ENERGY -1.526607790696e+02
-FORCES  5.1727000000e-03  1.6612000000e-03  1.4295000000e-03 -4.0126000000e-03  4.2129000000e-03  1.7544000000e-03 -3.2172000000e-03 -3.7789000000e-03 -2.5940000000e-03  2.9826000000e-03 -8.4381000000e-03  6.0213000000e-03 -3.8374000000e-03  6.4585000000e-03 -8.7498000000e-03  2.9119000000e-03 -1.1560000000e-04  2.1387000000e-03
-
-JOB 72
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5202000000e-01 -6.6616700000e-01  4.0954500000e-01  5.9231400000e-01  2.8243200000e-01  6.9687100000e-01  1.5240680000e+00 -1.6655310000e+00 -1.7714870000e+00  9.7265000000e-01 -1.1318090000e+00 -1.1993770000e+00  9.0547300000e-01 -2.1896540000e+00 -2.2802770000e+00
-ENERGY -1.526608636719e+02
-FORCES  6.4280000000e-04  1.1290000000e-04  5.2453000000e-03  4.1506000000e-03  2.3325000000e-03 -3.6715000000e-03 -3.4221000000e-03 -2.2264000000e-03 -3.6488000000e-03 -7.7193000000e-03  6.8204000000e-03  4.5804000000e-03  5.2927000000e-03 -8.7823000000e-03 -5.0977000000e-03  1.0553000000e-03  1.7429000000e-03  2.5923000000e-03
-
-JOB 73
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3070200000e-01 -5.1664500000e-01  6.0635400000e-01  5.1328600000e-01  5.7887200000e-01  5.6362800000e-01 -1.8757050000e+00  1.7713030000e+00  1.6727780000e+00 -2.3287860000e+00  2.3165770000e+00  2.3159160000e+00 -1.3042910000e+00  1.2085370000e+00  2.1952830000e+00
-ENERGY -1.526512439467e+02
-FORCES -2.7583000000e-03  2.8741000000e-03  3.8324000000e-03  3.2474000000e-03  2.1179000000e-03 -7.5320000000e-04 -1.7941000000e-03 -3.5558000000e-03 -7.8620000000e-04  6.1500000000e-05  1.3020000000e-04  4.3437000000e-03  2.3158000000e-03 -2.5490000000e-03 -3.4788000000e-03 -1.0723000000e-03  9.8260000000e-04 -3.1579000000e-03
-
-JOB 74
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0188100000e-01 -4.3021500000e-01  6.9228800000e-01  5.8744500000e-01  5.9612900000e-01  4.6451100000e-01  1.6290260000e+00  1.5912330000e+00 -1.4532620000e+00  2.0407970000e+00  1.9784710000e+00 -2.2257410000e+00  9.3137900000e-01  1.0382310000e+00 -1.8049840000e+00
-ENERGY -1.526601893845e+02
-FORCES  3.3604000000e-03  3.0941000000e-03  2.7303000000e-03  2.7671000000e-03  2.3287000000e-03 -1.8598000000e-03 -5.0784000000e-03 -4.5100000000e-03 -1.6080000000e-04 -3.8119000000e-03 -3.5984000000e-03 -2.0826000000e-03 -2.4736000000e-03 -2.3095000000e-03  2.1868000000e-03  5.2364000000e-03  4.9950000000e-03 -8.1390000000e-04
-
-JOB 75
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9367600000e-01 -6.2947900000e-01 -6.5859100000e-01 -7.1935200000e-01  4.7026300000e-01 -4.2144700000e-01  1.4917080000e+00 -1.5279170000e+00 -1.8715540000e+00  2.1515390000e+00 -1.9636060000e+00 -1.3320820000e+00  1.9943810000e+00 -9.4912600000e-01 -2.4447490000e+00
-ENERGY -1.526613462545e+02
-FORCES  3.2578000000e-03 -5.6122000000e-03 -8.9989000000e-03 -5.5812000000e-03  4.9139000000e-03  7.8026000000e-03  2.8305000000e-03 -1.5306000000e-03  3.0700000000e-04  4.8324000000e-03  2.9579000000e-03  1.2342000000e-03 -3.3418000000e-03  2.6372000000e-03 -2.8716000000e-03 -1.9976000000e-03 -3.3663000000e-03  2.5267000000e-03
-
-JOB 76
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6672100000e-01  5.5792000000e-01  6.2219700000e-01 -6.8664800000e-01 -5.1872700000e-01 -4.1912900000e-01  1.7124710000e+00 -1.6425480000e+00  1.8172910000e+00  1.2275480000e+00 -9.6665600000e-01  1.3437390000e+00  2.3712090000e+00 -1.1599270000e+00  2.3166630000e+00
-ENERGY -1.526606993684e+02
-FORCES -6.3013000000e-03 -8.3010000000e-04 -2.1515000000e-03  3.7406000000e-03 -3.8542000000e-03 -1.8621000000e-03  2.6720000000e-03  3.5419000000e-03  2.1069000000e-03 -2.2005000000e-03  5.9868000000e-03 -5.0465000000e-03  5.0066000000e-03 -4.1343000000e-03  8.8227000000e-03 -2.9174000000e-03 -7.1010000000e-04 -1.8695000000e-03
-
-JOB 77
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2905200000e-01  3.6777100000e-01 -7.0787000000e-01 -5.5601300000e-01 -6.7483200000e-01  3.8946600000e-01 -3.3270110000e+00  1.5832900000e-01 -4.2034000000e-02 -3.8086290000e+00  7.2997900000e-01 -6.3994200000e-01 -4.0005360000e+00 -3.8982400000e-01  3.6061200000e-01
-ENERGY -1.526569860361e+02
-FORCES -8.4857000000e-03 -7.2720000000e-04 -7.5780000000e-04  4.3655000000e-03 -3.5580000000e-04  8.0440000000e-04  4.4615000000e-03  6.8470000000e-04 -4.7620000000e-04 -5.8640000000e-03  7.5560000000e-04 -1.4700000000e-04  2.4127000000e-03 -2.6402000000e-03  2.3490000000e-03  3.1100000000e-03  2.2829000000e-03 -1.7725000000e-03
-
-JOB 78
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0143600000e-01 -7.0045400000e-01  6.2050000000e-01  8.5490500000e-01  3.0175500000e-01 -3.0710500000e-01  1.5278370000e+00  1.8621390000e+00  1.7881520000e+00  1.0081170000e+00  1.3457190000e+00  2.4041330000e+00  2.1650610000e+00  2.3197870000e+00  2.3365470000e+00
-ENERGY -1.526554259323e+02
-FORCES  7.1256000000e-03  1.7114000000e-03  1.7349000000e-03 -1.4787000000e-03  2.9777000000e-03 -1.0191000000e-03 -4.1622000000e-03 -3.6813000000e-03 -1.2494000000e-03 -2.4617000000e-03 -1.1700000000e-04  4.7149000000e-03  3.9841000000e-03  1.5255000000e-03 -1.4099000000e-03 -3.0071000000e-03 -2.4163000000e-03 -2.7714000000e-03
-
-JOB 79
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6772200000e-01  5.4683800000e-01 -6.3121800000e-01 -5.9267000000e-01 -5.2924800000e-01 -5.3373300000e-01  1.6607480000e+00  1.7323390000e+00 -1.5360250000e+00  2.2170450000e+00  1.2838270000e+00 -2.1728950000e+00  1.0883310000e+00  2.2870570000e+00 -2.0659860000e+00
-ENERGY -1.526604273909e+02
-FORCES  5.8169000000e-03  5.6602000000e-03 -6.8524000000e-03 -8.4657000000e-03 -6.8473000000e-03  4.1123000000e-03  2.5752000000e-03  2.5124000000e-03  5.1960000000e-04  1.9483000000e-03  1.1884000000e-03 -3.5043000000e-03 -4.0023000000e-03  2.2722000000e-03  2.8804000000e-03  2.1275000000e-03 -4.7859000000e-03  2.8444000000e-03
-
-JOB 80
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7633700000e-01  3.6759600000e-01  6.7003100000e-01  3.6350600000e-01  7.6326400000e-01 -4.4891400000e-01 -1.5718060000e+00 -1.4476010000e+00  1.8201720000e+00 -1.0124410000e+00 -1.8392280000e+00  1.1493730000e+00 -2.0585200000e+00 -7.6498900000e-01  1.3582390000e+00
-ENERGY -1.526548860847e+02
-FORCES -2.3020000000e-04  2.4840000000e-03  3.7701000000e-03 -2.0536000000e-03 -2.1212000000e-03 -5.1173000000e-03 -2.3966000000e-03 -2.8436000000e-03  3.1591000000e-03  3.2616000000e-03 -1.7610000000e-04 -8.9396000000e-03 -3.5961000000e-03  4.5250000000e-04  4.6269000000e-03  5.0149000000e-03  2.2044000000e-03  2.5009000000e-03
-
-JOB 81
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5591300000e-01  5.5195500000e-01 -6.3539000000e-01 -6.7115400000e-01 -6.0334900000e-01  3.1898900000e-01  1.6830680000e+00 -1.7470600000e+00  1.6610700000e+00  1.0969360000e+00 -1.1825670000e+00  2.1650830000e+00  1.0976900000e+00 -2.2954310000e+00  1.1387160000e+00
-ENERGY -1.526513758472e+02
-FORCES -3.7305000000e-03 -2.5150000000e-04 -1.6035000000e-03  2.7436000000e-03 -2.8369000000e-03  3.0047000000e-03  4.3277000000e-03  1.3762000000e-03  2.0230000000e-04 -5.4243000000e-03  4.6935000000e-03 -4.1783000000e-03  1.2586000000e-03 -4.0429000000e-03 -3.8820000000e-04  8.2490000000e-04  1.0617000000e-03  2.9630000000e-03
-
-JOB 82
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6533000000e-01  6.0887400000e-01 -4.7529600000e-01 -5.7525700000e-01 -4.0446600000e-01  6.4939900000e-01 -1.7374700000e+00  1.7346670000e+00  1.8560770000e+00 -1.2740890000e+00  1.3649950000e+00  2.6076430000e+00 -2.2948610000e+00  1.0220110000e+00  1.5435560000e+00
-ENERGY -1.526518163929e+02
-FORCES -5.9395000000e-03  5.8179000000e-03  3.0473000000e-03  1.7477000000e-03 -4.3227000000e-03 -7.0900000000e-05  7.4750000000e-04  2.1330000000e-04 -1.2649000000e-03  2.1017000000e-03 -4.1227000000e-03  2.1902000000e-03 -2.9416000000e-03  8.1320000000e-04 -3.3455000000e-03  4.2841000000e-03  1.6010000000e-03 -5.5620000000e-04
-
-JOB 83
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9261700000e-01  6.2350800000e-01  2.1852100000e-01  5.7442700000e-01  4.7901900000e-01 -5.9733300000e-01 -1.9193230000e+00 -1.3416570000e+00  1.7663110000e+00 -1.2406150000e+00 -1.6195080000e+00  1.1511810000e+00 -2.3192440000e+00 -2.1576440000e+00  2.0670760000e+00
-ENERGY -1.526600065697e+02
-FORCES -9.4020000000e-04  5.1533000000e-03 -5.8850000000e-04  4.4885000000e-03 -2.4177000000e-03 -2.7079000000e-03 -2.7547000000e-03 -1.1081000000e-03  2.5827000000e-03  3.3405000000e-03 -3.4326000000e-03 -2.3538000000e-03 -6.2719000000e-03 -8.3280000000e-04  4.6015000000e-03  2.1379000000e-03  2.6380000000e-03 -1.5340000000e-03
-
-JOB 84
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0283500000e-01 -6.2564800000e-01  6.9545200000e-01  6.5099100000e-01  5.8572200000e-01  3.8648800000e-01  1.7304900000e+00 -1.4957840000e+00  1.6147580000e+00  2.2423120000e+00 -2.0298810000e+00  2.2222190000e+00  2.3352590000e+00 -8.1102900000e-01  1.3291040000e+00
-ENERGY -1.526551402603e+02
-FORCES  4.8536000000e-03 -5.3778000000e-03  8.6009000000e-03 -3.2284000000e-03  3.8288000000e-03 -3.6619000000e-03  3.9190000000e-04 -1.4645000000e-03 -2.0618000000e-03  3.8607000000e-03  1.5440000000e-03 -2.0185000000e-03 -2.3663000000e-03  2.6725000000e-03 -3.3885000000e-03 -3.5116000000e-03 -1.2031000000e-03  2.5297000000e-03
-
-JOB 85
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0831600000e-01  7.6258900000e-01  4.8952200000e-01 -7.9401900000e-01 -4.9874100000e-01 -1.9241300000e-01 -1.6205720000e+00  1.8849580000e+00  1.6106530000e+00 -2.3676860000e+00  1.4415500000e+00  2.0124520000e+00 -1.1515220000e+00  2.2791250000e+00  2.3460830000e+00
-ENERGY -1.526602627767e+02
-FORCES -8.5492000000e-03  5.6798000000e-03  4.3743000000e-03  6.8282000000e-03 -4.8214000000e-03 -3.9612000000e-03  2.4115000000e-03  4.4290000000e-04  4.0330000000e-04 -2.2028000000e-03 -9.9910000000e-04  4.8116000000e-03  3.5560000000e-03  2.2869000000e-03 -1.7337000000e-03 -2.0437000000e-03 -2.5890000000e-03 -3.8942000000e-03
-
-JOB 86
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1863300000e-01  4.5489400000e-01 -5.7148700000e-01  4.5200700000e-01  7.0053900000e-01  4.7028400000e-01 -1.6264620000e+00 -1.5922170000e+00 -1.7706190000e+00 -1.0970830000e+00 -2.2633820000e+00 -1.3398910000e+00 -2.1799550000e+00 -2.0786190000e+00 -2.3815940000e+00
-ENERGY -1.526580575256e+02
-FORCES -2.9779000000e-03  3.4505000000e-03 -2.7157000000e-03  4.5426000000e-03  1.2740000000e-03  4.6107000000e-03 -2.1935000000e-03 -2.6081000000e-03 -2.2812000000e-03  2.0381000000e-03 -4.9687000000e-03  1.3822000000e-03 -3.9206000000e-03  9.6150000000e-04 -3.6977000000e-03  2.5114000000e-03  1.8907000000e-03  2.7017000000e-03
-
-JOB 87
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0118800000e-01 -4.8512600000e-01 -5.6520500000e-01 -4.7841600000e-01  5.7570500000e-01 -5.9658400000e-01 -1.5605290000e+00  1.9169310000e+00 -1.5883800000e+00 -9.6103000000e-01  2.2345360000e+00 -2.2636280000e+00 -2.0526490000e+00  1.2154880000e+00 -2.0150260000e+00
-ENERGY -1.526593150292e+02
-FORCES -3.3479000000e-03  6.3500000000e-03 -5.7956000000e-03 -2.7185000000e-03  2.4192000000e-03  8.0130000000e-04  5.1225000000e-03 -9.6942000000e-03  2.7829000000e-03 -1.9972000000e-03  2.0039000000e-03 -5.2478000000e-03 -2.5025000000e-03 -3.4031000000e-03  3.9570000000e-03  5.4436000000e-03  2.3242000000e-03  3.5022000000e-03
-
-JOB 88
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6204300000e-01 -5.4086900000e-01  5.5479700000e-01  6.0856200000e-01  5.4147100000e-01 -5.0268700000e-01 -1.7316420000e+00  1.7168280000e+00  1.9475080000e+00 -1.0065690000e+00  1.1863020000e+00  1.6172890000e+00 -1.9935370000e+00  2.2562790000e+00  1.2014280000e+00
-ENERGY -1.526591316988e+02
-FORCES  5.4771000000e-03 -2.2652000000e-03 -2.8002000000e-03 -3.2925000000e-03  4.1234000000e-03 -1.7327000000e-03 -3.3286000000e-03 -2.1931000000e-03  3.0211000000e-03  3.2689000000e-03 -3.3830000000e-03 -8.4479000000e-03 -2.6194000000e-03  4.2250000000e-03  7.0241000000e-03  4.9450000000e-04 -5.0720000000e-04  2.9357000000e-03
-
-JOB 89
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3989900000e-01  5.6828100000e-01 -6.9120000000e-01 -7.6966000000e-01 -4.1608900000e-01 -3.8823300000e-01 -1.8796840000e+00 -1.4510130000e+00  1.6292490000e+00 -1.2911400000e+00 -2.0140850000e+00  1.1264590000e+00 -2.3234170000e+00 -2.0463000000e+00  2.2333740000e+00
-ENERGY -1.526537478152e+02
-FORCES -4.1680000000e-03  1.6682000000e-03 -2.7344000000e-03 -1.7999000000e-03 -2.0630000000e-03  3.3329000000e-03  5.5947000000e-03 -1.3893000000e-03  6.4510000000e-04  2.9226000000e-03 -3.9667000000e-03  1.6404000000e-03 -4.9187000000e-03  2.9093000000e-03 -6.4660000000e-04  2.3694000000e-03  2.8415000000e-03 -2.2374000000e-03
-
-JOB 90
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7776100000e-01  4.5861000000e-01 -6.1000100000e-01  3.9970000000e-01 -6.9423700000e-01 -5.2393300000e-01  1.7689900000e+00 -1.5705760000e+00  1.7930800000e+00  1.5223600000e+00 -8.6876100000e-01  2.3954600000e+00  2.4044920000e+00 -1.1670910000e+00  1.2018370000e+00
-ENERGY -1.526551011122e+02
-FORCES -3.3670000000e-04 -3.9903000000e-03 -3.4770000000e-03  2.6607000000e-03 -2.3484000000e-03  3.1141000000e-03 -9.2280000000e-04  4.8222000000e-03  1.0270000000e-04 -1.8543000000e-03  8.1379000000e-03 -2.9990000000e-04  2.7493000000e-03 -3.7459000000e-03 -3.4460000000e-04 -2.2961000000e-03 -2.8755000000e-03  9.0470000000e-04
-
-JOB 91
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1967500000e-01  4.7144400000e-01  5.5675400000e-01  4.0683600000e-01 -6.4097800000e-01  5.8297800000e-01  1.5148950000e+00 -1.6470180000e+00 -1.9044050000e+00  1.0402070000e+00 -2.3278380000e+00 -1.4275530000e+00  2.0975080000e+00 -1.2586820000e+00 -1.2517260000e+00
-ENERGY -1.526505576300e+02
-FORCES -6.7900000000e-04 -1.0272000000e-03  3.6106000000e-03  2.7997000000e-03 -2.4907000000e-03 -3.3946000000e-03 -2.6220000000e-04  1.8056000000e-03 -3.5398000000e-03 -3.1265000000e-03  2.9548000000e-03  5.6987000000e-03  2.7725000000e-03  1.9584000000e-03 -9.1570000000e-04 -1.5045000000e-03 -3.2009000000e-03 -1.4591000000e-03
-
-JOB 92
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4629300000e-01 -6.9464300000e-01 -4.8427900000e-01  5.2294600000e-01  1.1336200000e-01  7.9366800000e-01  1.6738170000e+00  1.5020660000e+00 -1.6910780000e+00  2.2578580000e+00  8.7653800000e-01 -1.2623100000e+00  1.0094850000e+00  9.5859500000e-01 -2.1147930000e+00
-ENERGY -1.526483585760e+02
-FORCES  7.3821000000e-03  3.3820000000e-03 -2.7030000000e-04 -4.0870000000e-04  4.6770000000e-03 -6.5590000000e-04 -1.7727000000e-03 -1.6078000000e-03 -3.3663000000e-03 -7.8053000000e-03 -7.6041000000e-03  6.4289000000e-03 -1.3597000000e-03  1.0308000000e-03 -9.8250000000e-04  3.9643000000e-03  1.2210000000e-04 -1.1539000000e-03
-
-JOB 93
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9770500000e-01  4.8634000000e-01  6.5726400000e-01  7.2830300000e-01 -3.8535900000e-01  4.8714000000e-01 -1.6310930000e+00 -1.4792990000e+00  1.8231110000e+00 -1.1156480000e+00 -2.0802200000e+00  1.2851120000e+00 -2.0878740000e+00 -9.2352500000e-01  1.1916850000e+00
-ENERGY -1.526545584223e+02
-FORCES -4.5910000000e-04 -1.9000000000e-03  1.0771100000e-02 -1.2467000000e-03 -1.3957000000e-03 -4.4174000000e-03 -2.3318000000e-03  3.1060000000e-04 -3.2996000000e-03  3.5515000000e-03  9.9590000000e-04 -1.1405400000e-02 -9.1080000000e-04  5.1240000000e-04  4.1647000000e-03  1.3968000000e-03  1.4767000000e-03  4.1866000000e-03
-
-JOB 94
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7064900000e-01  4.6817200000e-01 -3.2116500000e-01 -3.0595300000e-01 -4.5675400000e-01  7.8358200000e-01 -1.6503190000e+00 -1.4715310000e+00  1.8217550000e+00 -2.1982520000e+00 -9.8170100000e-01  2.4349980000e+00 -1.1968770000e+00 -2.1150250000e+00  2.3663070000e+00
-ENERGY -1.526598314340e+02
-FORCES -1.0079700000e-02 -5.1808000000e-03  6.1645000000e-03  2.5267000000e-03 -1.6120000000e-04  5.0010000000e-04  7.3911000000e-03  4.0842000000e-03 -3.6405000000e-03 -1.2632000000e-03 -8.5750000000e-04  3.1182000000e-03  3.0867000000e-03 -2.3879000000e-03 -3.3248000000e-03 -1.6616000000e-03  4.5033000000e-03 -2.8174000000e-03
-
-JOB 95
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5645800000e-01 -6.2242800000e-01 -3.1285500000e-01 -6.5644200000e-01 -5.4277200000e-01  4.3670800000e-01 -5.4770000000e-02 -2.3701900000e-01  3.2269840000e+00 -6.3771500000e-01  2.3962300000e-01  2.6360370000e+00  4.5606000000e-01  4.4547700000e-01  3.6622800000e+00
-ENERGY -1.526549043628e+02
-FORCES  2.2734000000e-03 -6.7834000000e-03  1.7922000000e-03 -2.8356000000e-03  2.7156000000e-03  6.4600000000e-05  1.1333000000e-03  4.4564000000e-03 -6.0410000000e-04  1.6231000000e-03  6.6499000000e-03 -2.5930000000e-03 -1.1360000000e-04 -4.1402000000e-03  2.2792000000e-03 -2.0806000000e-03 -2.8982000000e-03 -9.3890000000e-04
-
-JOB 96
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1383200000e-01 -7.2357700000e-01  5.4238200000e-01  5.2634700000e-01  5.3471200000e-01  5.9436800000e-01  1.7571990000e+00 -1.4791640000e+00  1.9128340000e+00  1.2381420000e+00 -1.8962470000e+00  1.2251900000e+00  2.4135180000e+00 -9.6676100000e-01  1.4406900000e+00
-ENERGY -1.526540454607e+02
-FORCES  1.6352000000e-03 -3.0960000000e-04  9.5975000000e-03  2.9867000000e-03 -1.4563000000e-03 -3.7803000000e-03 -5.7270000000e-04 -9.4050000000e-04 -4.4622000000e-03  1.3006000000e-03  8.2640000000e-04 -8.6276000000e-03 -2.3647000000e-03  2.5279000000e-03  3.9645000000e-03 -2.9852000000e-03 -6.4790000000e-04  3.3081000000e-03
-
-JOB 97
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5829200000e-01  5.6926300000e-01  6.1817500000e-01  5.7870000000e-01 -5.3139300000e-01  5.4677200000e-01  1.6522400000e+00 -1.5534760000e+00  1.5774910000e+00  9.7542300000e-01 -2.0695660000e+00  2.0154420000e+00  2.2100290000e+00 -1.2369010000e+00  2.2880420000e+00
-ENERGY -1.526598921962e+02
-FORCES  8.8262000000e-03 -5.3350000000e-03  8.9965000000e-03  1.6790000000e-03 -2.3339000000e-03 -9.2850000000e-04 -9.0350000000e-03  3.2884000000e-03 -4.6154000000e-03 -5.7310000000e-04  1.6107000000e-03  2.0268000000e-03  2.8145000000e-03  5.1373000000e-03 -2.7390000000e-03 -3.7116000000e-03 -2.3674000000e-03 -2.7405000000e-03
-
-JOB 98
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3192500000e-01 -7.5718900000e-01  4.8241400000e-01  7.9731000000e-01  2.5101100000e-01  4.6639300000e-01  1.5999890000e+00 -1.8303830000e+00 -1.5423660000e+00  1.3486600000e+00 -1.2507680000e+00 -8.2326100000e-01  1.9965410000e+00 -2.5881180000e+00 -1.1124650000e+00
-ENERGY -1.526544017702e+02
-FORCES -2.0484000000e-03 -6.8650000000e-04  3.5474000000e-03  4.4727000000e-03  3.0956000000e-03 -3.4020000000e-03 -2.1917000000e-03 -5.6967000000e-03 -5.6994000000e-03 -4.3151000000e-03  4.8554000000e-03  4.6903000000e-03  6.8804000000e-03 -5.4427000000e-03  8.9130000000e-04 -2.7979000000e-03  3.8750000000e-03 -2.7600000000e-05
-
-JOB 99
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5590700000e-01  6.7660400000e-01  3.8653200000e-01 -5.7150000000e-01 -4.5621200000e-01 -6.1764900000e-01  1.6851340000e+00 -1.8125640000e+00 -1.5088780000e+00  2.3381830000e+00 -2.1588000000e+00 -2.1170560000e+00  1.3608100000e+00 -1.0175750000e+00 -1.9320080000e+00
-ENERGY -1.526538086703e+02
-FORCES -4.7321000000e-03 -1.3449000000e-03  4.8640000000e-04  2.8047000000e-03 -3.2771000000e-03 -1.5442000000e-03  3.4771000000e-03  4.0538000000e-03  7.3180000000e-04  1.7100000000e-03  4.1936000000e-03 -2.1442000000e-03 -2.5629000000e-03  1.8565000000e-03  3.0078000000e-03 -6.9680000000e-04 -5.4818000000e-03 -5.3770000000e-04
-
-JOB 100
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2461100000e-01 -3.7183800000e-01  5.0289900000e-01  3.2484100000e-01  7.1856200000e-01  5.4256700000e-01 -1.8977820000e+00 -1.3883420000e+00 -1.6513560000e+00 -2.5354240000e+00 -9.6512200000e-01 -1.0764390000e+00 -1.4442950000e+00 -2.0145130000e+00 -1.0870070000e+00
-ENERGY -1.526493060017e+02
-FORCES -3.1125000000e-03  5.2000000000e-04  1.9672000000e-03  1.9115000000e-03 -4.6570000000e-04 -2.0403000000e-03 -2.2803000000e-03 -3.0425000000e-03 -3.4152000000e-03  3.6812000000e-03  2.2892000000e-03  4.7163000000e-03  3.0939000000e-03 -2.0111000000e-03 -6.4370000000e-04 -3.2938000000e-03  2.7102000000e-03 -5.8430000000e-04
-
-JOB 101
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5571400000e-01 -6.1878400000e-01  6.3781300000e-01 -6.2395600000e-01 -5.1486900000e-01 -5.1168400000e-01  1.4511660000e+00 -1.6677970000e+00  1.7803850000e+00  2.0718660000e+00 -2.3396280000e+00  1.4982380000e+00  1.9825010000e+00 -1.0413520000e+00  2.2717940000e+00
-ENERGY -1.526615332226e+02
-FORCES  3.6219000000e-03 -8.8435000000e-03  5.8266000000e-03 -5.3726000000e-03  7.5444000000e-03 -5.1551000000e-03  2.3691000000e-03  7.8060000000e-04  1.6242000000e-03  4.3062000000e-03  8.0820000000e-04 -1.5784000000e-03 -2.3344000000e-03  3.1945000000e-03  2.3200000000e-03 -2.5902000000e-03 -3.4842000000e-03 -3.0374000000e-03
-
-JOB 102
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6077700000e-01  4.7819700000e-01 -3.2981400000e-01  5.1782000000e-01  6.6068800000e-01  4.5998500000e-01 -3.3690150000e+00 -1.1627500000e-01 -8.4050000000e-02 -2.8168250000e+00 -6.4754100000e-01 -6.5770100000e-01 -2.7788160000e+00  1.8256800000e-01  6.0775100000e-01
-ENERGY -1.526550938158e+02
-FORCES  1.1660000000e-03  5.5293000000e-03 -3.6860000000e-04  1.6929000000e-03 -4.2965000000e-03  3.1815000000e-03 -2.7852000000e-03 -2.9258000000e-03 -1.8125000000e-03  3.7175000000e-03 -4.3920000000e-03  2.3065000000e-03 -1.9396000000e-03  4.7977000000e-03  1.6667000000e-03 -1.8516000000e-03  1.2872000000e-03 -4.9737000000e-03
-
-JOB 103
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1838500000e-01  7.3923200000e-01 -3.1787400000e-01  6.1345300000e-01  3.8780500000e-01  6.2411100000e-01  3.2734330000e+00  1.2951100000e-01  3.3270600000e-01  3.7133430000e+00 -4.6693800000e-01 -2.7306600000e-01  3.9678890000e+00  7.0939600000e-01  6.4526900000e-01
-ENERGY -1.526568341592e+02
-FORCES  3.5500000000e-03  4.3448000000e-03  1.4594000000e-03  1.9589000000e-03 -2.6584000000e-03  1.1354000000e-03 -6.5417000000e-03 -6.5290000000e-04 -1.3550000000e-03  5.0285000000e-03 -1.8215000000e-03 -2.8767000000e-03 -5.6080000000e-04  2.9611000000e-03  2.9591000000e-03 -3.4350000000e-03 -2.1731000000e-03 -1.3222000000e-03
-
-JOB 104
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4914300000e-01  7.4936400000e-01  5.4093800000e-01  5.2863600000e-01 -5.4890100000e-01  5.7921000000e-01  1.5493410000e+00 -1.7150570000e+00  1.5269190000e+00  1.9787510000e+00 -2.1211720000e+00  7.7398500000e-01  1.0475980000e+00 -2.4244430000e+00  1.9284880000e+00
-ENERGY -1.526613355051e+02
-FORCES  7.2788000000e-03 -5.9645000000e-03  1.0197900000e-02  8.0810000000e-04 -2.7084000000e-03 -7.9310000000e-04 -5.0535000000e-03  5.1863000000e-03 -8.4107000000e-03 -1.6298000000e-03 -3.1743000000e-03 -2.2004000000e-03 -4.1863000000e-03  3.0421000000e-03  3.8028000000e-03  2.7828000000e-03  3.6188000000e-03 -2.5965000000e-03
-
-JOB 105
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3655600000e-01  5.4621900000e-01  5.7444300000e-01  6.5753700000e-01  5.9838200000e-01 -3.5470500000e-01 -1.5772320000e+00  1.7028010000e+00  1.6739030000e+00 -2.2562880000e+00  1.9331650000e+00  1.0398310000e+00 -2.0061640000e+00  1.0926560000e+00  2.2738800000e+00
-ENERGY -1.526613352153e+02
-FORCES -3.4431000000e-03  9.5272000000e-03  7.1217000000e-03  3.1838000000e-03 -7.6887000000e-03 -7.1566000000e-03 -2.3326000000e-03 -1.4901000000e-03  7.5170000000e-04 -4.7167000000e-03 -4.7870000000e-04  1.0740000000e-03  4.7325000000e-03 -2.5423000000e-03  2.7731000000e-03  2.5760000000e-03  2.6726000000e-03 -4.5639000000e-03
-
-JOB 106
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9386900000e-01 -6.6415100000e-01 -4.8086300000e-01  6.1285000000e-01  3.2354100000e-01  6.6027800000e-01  1.7205840000e+00  1.4969100000e+00 -1.6943990000e+00  1.2657620000e+00  2.0840970000e+00 -1.0905940000e+00  2.0796830000e+00  2.0755400000e+00 -2.3670560000e+00
-ENERGY -1.526549531363e+02
-FORCES  8.3497000000e-03 -9.9710000000e-04 -4.3983000000e-03 -3.3866000000e-03  1.8370000000e-04  3.7405000000e-03 -3.0411000000e-03  8.7820000000e-04 -2.4140000000e-03 -4.2998000000e-03  3.3960000000e-03  1.7194000000e-03  4.8566000000e-03 -6.4770000000e-04 -1.6447000000e-03 -2.4789000000e-03 -2.8130000000e-03  2.9972000000e-03
-
-JOB 107
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0875400000e-01 -3.9651800000e-01  5.0663000000e-01  4.2552600000e-01  6.9052400000e-01 -5.0826800000e-01 -1.6442950000e+00 -1.8327180000e+00  1.8384830000e+00 -2.1235250000e+00 -1.2683120000e+00  1.2318400000e+00 -2.3247180000e+00 -2.2473910000e+00  2.3688630000e+00
-ENERGY -1.526574849633e+02
-FORCES  5.4266000000e-03 -1.5660000000e-04  1.3497000000e-03 -1.5842000000e-03  3.1835000000e-03 -3.6085000000e-03 -1.7053000000e-03 -2.8954000000e-03  2.2672000000e-03 -4.1555000000e-03  2.1713000000e-03 -2.1104000000e-03 -5.9000000000e-04 -4.2465000000e-03  4.4017000000e-03  2.6083000000e-03  1.9437000000e-03 -2.2997000000e-03
-
-JOB 108
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3352400000e-01  5.0929600000e-01  5.0546700000e-01 -4.9129500000e-01 -3.0521700000e-01 -7.6269500000e-01 -1.3940440000e+00  1.5769420000e+00 -1.7554230000e+00 -1.9820150000e+00  1.3026040000e+00 -1.0516760000e+00 -9.6725900000e-01  2.3645870000e+00 -1.4182250000e+00
-ENERGY -1.526488556351e+02
-FORCES -7.4544000000e-03  7.2561000000e-03 -9.9989000000e-03  1.7700000000e-05 -6.4000000000e-06 -2.1158000000e-03 -4.2330000000e-04 -2.1196000000e-03  4.8956000000e-03  6.6515000000e-03 -1.0220000000e-04  8.8531000000e-03  4.6933000000e-03 -2.4193000000e-03 -4.7890000000e-04 -3.4847000000e-03 -2.6086000000e-03 -1.1550000000e-03
-
-JOB 109
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8804600000e-01 -7.1750700000e-01  4.0401400000e-01  6.7555300000e-01  2.2153900000e-01  6.4092100000e-01 -1.6808210000e+00  1.8566410000e+00  1.5465860000e+00 -1.1930270000e+00  1.1161620000e+00  1.9071140000e+00 -1.0113410000e+00  2.4163670000e+00  1.1532220000e+00
-ENERGY -1.526505762704e+02
-FORCES -2.3226000000e-03 -1.2819000000e-03  3.5234000000e-03  2.6710000000e-03  3.9458000000e-03 -2.1840000000e-04 -5.0799000000e-03  1.0362000000e-03 -1.2657000000e-03  7.9971000000e-03 -4.2290000000e-03 -6.9253000000e-03 -9.9850000000e-04  7.2380000000e-04  1.5023000000e-03 -2.2670000000e-03 -1.9490000000e-04  3.3837000000e-03
-
-JOB 110
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9169300000e-01  4.2421400000e-01 -3.3090200000e-01 -3.5635400000e-01 -4.6630600000e-01 -7.5617600000e-01 -1.6285360000e+00 -1.7398430000e+00 -1.5860370000e+00 -9.0609200000e-01 -2.0564050000e+00 -2.1283430000e+00 -2.0210730000e+00 -2.5333990000e+00 -1.2221480000e+00
-ENERGY -1.526577975813e+02
-FORCES -4.9911000000e-03 -3.6732000000e-03 -5.2279000000e-03 -3.3049000000e-03 -2.9154000000e-03 -3.9830000000e-04  9.0381000000e-03  4.5196000000e-03  1.2708000000e-03 -7.3560000000e-04 -5.4680000000e-03  2.9522000000e-03 -1.6630000000e-03  4.6038000000e-03  4.8015000000e-03  1.6565000000e-03  2.9332000000e-03 -3.3983000000e-03
-
-JOB 111
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6055600000e-01  5.9650600000e-01  3.5224800000e-01 -4.3355400000e-01 -4.2987700000e-01 -7.3720300000e-01  1.5152760000e+00  1.6467880000e+00  1.6651220000e+00  1.8528000000e+00  9.6515500000e-01  1.0840150000e+00  2.2922290000e+00  1.9969560000e+00  2.1009630000e+00
-ENERGY -1.526591174697e+02
-FORCES -4.4084000000e-03  3.2113000000e-03  1.0652000000e-03  1.1143000000e-03 -4.3377000000e-03 -3.5337000000e-03  1.5102000000e-03  2.1977000000e-03  3.1629000000e-03  2.0139000000e-03 -4.1252000000e-03 -3.2436000000e-03  2.3918000000e-03  5.1360000000e-03  4.9485000000e-03 -2.6218000000e-03 -2.0820000000e-03 -2.3992000000e-03
-
-JOB 112
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3940200000e-01 -7.0082800000e-01  5.5666700000e-01  5.1899200000e-01  5.4572300000e-01  5.9081800000e-01  1.7232000000e+00 -1.6737670000e+00 -1.4434190000e+00  1.2269070000e+00 -1.0580700000e+00 -9.0412100000e-01  2.3854750000e+00 -1.1344710000e+00 -1.8756030000e+00
-ENERGY -1.526602084000e+02
-FORCES -8.3000000000e-04 -9.6030000000e-04  3.8598000000e-03  4.0003000000e-03  3.5599000000e-03 -3.8769000000e-03 -1.4733000000e-03 -4.0631000000e-03 -4.0724000000e-03 -7.1018000000e-03  1.0362400000e-02  4.1908000000e-03  7.5060000000e-03 -8.1219000000e-03 -2.2268000000e-03 -2.1011000000e-03 -7.7700000000e-04  2.1256000000e-03
-
-JOB 113
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2018200000e-01 -3.8190700000e-01 -7.7060100000e-01 -7.4081700000e-01  4.9431400000e-01 -3.5082200000e-01  1.5162040000e+00 -1.7380000000e+00  1.8034600000e+00  1.0151430000e+00 -1.1642190000e+00  2.3830670000e+00  2.0125490000e+00 -1.1402060000e+00  1.2444280000e+00
-ENERGY -1.526546797176e+02
-FORCES -9.6050000000e-04 -2.3992000000e-03 -4.3607000000e-03 -6.1220000000e-04  3.0059000000e-03  3.3680000000e-03  3.0472000000e-03 -2.7454000000e-03  2.0936000000e-03 -5.0793000000e-03  9.0827000000e-03 -2.7601000000e-03  3.0006000000e-03 -3.2987000000e-03  8.7520000000e-04  6.0430000000e-04 -3.6452000000e-03  7.8400000000e-04
-
-JOB 114
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6491300000e-01 -6.3475400000e-01  2.6685200000e-01  4.6293500000e-01  2.1714800000e-01  8.0917800000e-01  1.4022360000e+00  1.4225770000e+00  2.1241350000e+00  2.1623640000e+00  1.1017760000e+00  2.6094430000e+00  1.7538750000e+00  2.1025860000e+00  1.5495320000e+00
-ENERGY -1.526617042436e+02
-FORCES  2.0682000000e-03  2.2389000000e-03  8.4782000000e-03  2.5743000000e-03  1.9610000000e-03 -5.2900000000e-05 -4.2545000000e-03 -5.1671000000e-03 -8.4750000000e-03  4.3966000000e-03  3.6236000000e-03 -5.7520000000e-04 -3.6797000000e-03  1.4531000000e-03 -2.7716000000e-03 -1.1048000000e-03 -4.1095000000e-03  3.3966000000e-03
-
-JOB 115
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6168700000e-01 -4.4157000000e-01 -5.3237100000e-01 -4.7392500000e-01 -7.1068300000e-01  4.3192200000e-01  1.7022810000e+00  1.7076230000e+00  1.6723990000e+00  2.2849140000e+00  1.2860890000e+00  2.3041260000e+00  1.1951810000e+00  9.8812600000e-01  1.2963590000e+00
-ENERGY -1.526600823730e+02
-FORCES -1.6053000000e-03 -4.4239000000e-03 -3.5725000000e-03 -2.8468000000e-03  2.2367000000e-03  4.5855000000e-03  3.6891000000e-03  3.6995000000e-03 -1.5274000000e-03 -4.8758000000e-03 -6.0231000000e-03 -3.2211000000e-03 -2.5674000000e-03  2.3040000000e-04 -2.8098000000e-03  8.2062000000e-03  4.2804000000e-03  6.5454000000e-03
-
-JOB 116
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1578700000e-01  5.3185100000e-01 -6.0607800000e-01 -5.5763100000e-01 -5.3490900000e-01 -5.6493600000e-01  1.8200880000e+00  1.9121050000e+00 -1.6418730000e+00  1.2931950000e+00  2.5360870000e+00 -2.1411340000e+00  2.1747870000e+00  2.4246880000e+00 -9.1545800000e-01
-ENERGY -1.526612882835e+02
-FORCES  3.3517000000e-03  2.1393000000e-03 -6.6878000000e-03 -6.6643000000e-03 -5.2656000000e-03  6.2709000000e-03  1.7289000000e-03  2.1873000000e-03  1.5194000000e-03  1.9099000000e-03  7.0059000000e-03 -6.9500000000e-05  2.1557000000e-03 -3.4143000000e-03  2.7572000000e-03 -2.4819000000e-03 -2.6525000000e-03 -3.7901000000e-03
-
-JOB 117
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9912600000e-01 -3.6980700000e-01  3.7532900000e-01  3.5727900000e-01  5.5372800000e-01  6.9424000000e-01  1.7186570000e+00  1.9208670000e+00  1.7133520000e+00  1.1505920000e+00  2.6101800000e+00  2.0574160000e+00  2.1363950000e+00  1.5450760000e+00  2.4882770000e+00
-ENERGY -1.526598695488e+02
-FORCES  2.1681000000e-03  3.4576000000e-03  5.2000000000e-03  3.0603000000e-03  1.8668000000e-03 -5.6780000000e-04 -7.3328000000e-03 -6.1745000000e-03 -4.5334000000e-03  3.0722000000e-03  3.6570000000e-03  5.1849000000e-03  1.9006000000e-03 -4.7148000000e-03 -1.6609000000e-03 -2.8684000000e-03  1.9079000000e-03 -3.6228000000e-03
-
-JOB 118
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4326400000e-01  5.4985500000e-01 -4.4732800000e-01  4.5803300000e-01  5.9830700000e-01  5.9031000000e-01 -7.0098000000e-02 -3.1153240000e+00 -1.6637700000e-01 -4.8175100000e-01 -2.3506790000e+00 -5.6898300000e-01 -8.0311200000e-01 -3.6717610000e+00  9.6874000000e-02
-ENERGY -1.526560543112e+02
-FORCES  1.9011000000e-03  5.0656000000e-03  2.9525000000e-03  2.2842000000e-03 -3.9657000000e-03  1.6659000000e-03 -2.5191000000e-03 -1.4759000000e-03 -2.9082000000e-03 -3.4824000000e-03  4.7825000000e-03  1.7400000000e-04 -7.8960000000e-04 -6.8219000000e-03 -1.0074000000e-03  2.6058000000e-03  2.4155000000e-03 -8.7680000000e-04
-
-JOB 119
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5324000000e-01 -5.3691600000e-01  6.5002000000e-01 -5.4744900000e-01 -6.1905400000e-01 -4.8301600000e-01  1.5579130000e+00 -1.7748010000e+00 -1.5504700000e+00  2.3906470000e+00 -1.9311420000e+00 -1.9958280000e+00  1.1698230000e+00 -1.0362010000e+00 -2.0196050000e+00
-ENERGY -1.526557951663e+02
-FORCES  4.4602000000e-03 -9.9391000000e-03  1.4860000000e-04 -3.2215000000e-03  3.7078000000e-03  2.1700000000e-05  1.9950000000e-03  3.9375000000e-03 -7.4000000000e-04  7.2300000000e-05  6.1901000000e-03 -1.5032000000e-03 -3.2935000000e-03  1.7432000000e-03  2.4014000000e-03 -1.2500000000e-05 -5.6396000000e-03 -3.2840000000e-04
-
-JOB 120
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3892300000e-01  5.3742200000e-01  2.8531200000e-01 -3.8101300000e-01 -6.2254300000e-01 -6.1927500000e-01  1.6200820000e+00  1.8349110000e+00 -1.9162080000e+00  8.3322500000e-01  1.4403790000e+00 -1.5401330000e+00  2.0677550000e+00  2.2349540000e+00 -1.1706980000e+00
-ENERGY -1.526583187279e+02
-FORCES -4.5673000000e-03 -4.1839000000e-03  1.2651000000e-03  4.7010000000e-03 -1.3340000000e-03 -3.0206000000e-03  1.8102000000e-03  4.5552000000e-03  2.4504000000e-03 -2.2979000000e-03 -3.9935000000e-03  8.5995000000e-03  1.4461000000e-03  5.0256000000e-03 -6.2080000000e-03 -1.0922000000e-03 -6.9300000000e-05 -3.0863000000e-03
-
-JOB 121
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4877400000e-01 -5.9077700000e-01  5.1581100000e-01  6.1749200000e-01  4.8254700000e-01 -5.4962200000e-01 -1.7351480000e+00 -1.7577680000e+00  1.5840660000e+00 -2.4154040000e+00 -2.1073460000e+00  2.1596340000e+00 -1.1104110000e+00 -1.3401520000e+00  2.1769670000e+00
-ENERGY -1.526516854137e+02
-FORCES  3.9866000000e-03 -2.4617000000e-03 -6.9930000000e-04 -2.2841000000e-03  3.7751000000e-03  1.7030000000e-04 -3.3564000000e-03 -2.2433000000e-03  2.1617000000e-03 -5.5510000000e-04  2.5004000000e-03  4.1408000000e-03  2.6553000000e-03  1.8257000000e-03 -2.9854000000e-03 -4.4640000000e-04 -3.3963000000e-03 -2.7880000000e-03
-
-JOB 122
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3512100000e-01 -2.1458500000e-01 -6.8323200000e-01 -5.5937700000e-01 -7.7446300000e-01  5.9469000000e-02  1.9921300000e-01 -3.0792500000e-01  3.1290520000e+00 -1.4984500000e-01 -8.6718300000e-01  3.8230420000e+00  7.7220500000e-01  3.0944900000e-01  3.5837610000e+00
-ENERGY -1.526522732781e+02
-FORCES -5.4000000000e-05 -5.2436000000e-03  5.3990000000e-04 -2.2127000000e-03  1.1965000000e-03  3.0236000000e-03  1.5733000000e-03  2.9246000000e-03 -2.1093000000e-03  1.9610000000e-03  2.1447000000e-03  3.8920000000e-03  1.0843000000e-03  1.9281000000e-03 -4.0238000000e-03 -2.3519000000e-03 -2.9504000000e-03 -1.3225000000e-03
-
-JOB 123
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9943300000e-01  2.6927300000e-01 -6.9599100000e-01  6.5894000000e-01 -5.3377300000e-01 -4.4397800000e-01  1.7763920000e+00 -1.5258630000e+00  1.3272050000e+00  1.1249250000e+00 -1.0556880000e+00  1.8475470000e+00  2.3531110000e+00 -1.9316700000e+00  1.9744670000e+00
-ENERGY -1.526599336386e+02
-FORCES  3.9100000000e-03 -3.6515000000e-03 -2.4299000000e-03  3.1092000000e-03 -1.7813000000e-03  1.9820000000e-03 -5.6176000000e-03  4.3588000000e-03 -5.6450000000e-04 -3.7257000000e-03  3.0777000000e-03  2.8091000000e-03  5.4154000000e-03 -4.1384000000e-03 -6.8600000000e-05 -3.0913000000e-03  2.1348000000e-03 -1.7281000000e-03
-
-JOB 124
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6744700000e-01  6.2641200000e-01  2.7991600000e-01 -3.7690100000e-01 -4.2372500000e-01 -7.7112600000e-01  1.6005600000e+00 -1.5429310000e+00  1.6149040000e+00  2.1723550000e+00 -2.2150890000e+00  1.2441150000e+00  1.2006970000e+00 -1.1216300000e+00  8.5408400000e-01
-ENERGY -1.526593744820e+02
-FORCES -2.2110000000e-03 -2.0650000000e-04  4.3929000000e-03  1.9120000000e-03 -2.7374000000e-03 -3.5293000000e-03  2.5085000000e-03  1.4039000000e-03  4.2096000000e-03 -5.5803000000e-03  6.3101000000e-03 -6.8606000000e-03 -3.0649000000e-03  2.7216000000e-03 -6.7900000000e-04  6.4356000000e-03 -7.4918000000e-03  2.4665000000e-03
-
-JOB 125
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2580300000e-01 -5.1076500000e-01 -6.1553400000e-01 -6.0253100000e-01  4.9667100000e-01 -5.5363100000e-01  1.6319010000e+00 -1.8114740000e+00  1.5050170000e+00  1.1155060000e+00 -1.1820640000e+00  2.0084170000e+00  2.1898700000e+00 -1.2712000000e+00  9.4554700000e-01
-ENERGY -1.526557044274e+02
-FORCES  1.1880000000e-04 -3.2046000000e-03 -4.0379000000e-03 -4.1620000000e-04  4.4861000000e-03  2.0045000000e-03  2.7330000000e-03 -2.9758000000e-03  2.4485000000e-03 -4.1495000000e-03  8.8646000000e-03 -6.8880000000e-04  3.7460000000e-03 -4.0262000000e-03  8.8860000000e-04 -2.0321000000e-03 -3.1440000000e-03 -6.1500000000e-04
-
-JOB 126
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7803600000e-01  6.0092400000e-01 -5.7149300000e-01  4.3270200000e-01  5.6810800000e-01  6.3738100000e-01  1.7725990000e+00 -1.6627280000e+00  1.7751270000e+00  1.2496620000e+00 -9.8135900000e-01  2.1976270000e+00  1.1474420000e+00 -2.1430390000e+00  1.2322530000e+00
-ENERGY -1.526550831223e+02
-FORCES  1.5473000000e-03  5.0632000000e-03 -4.7560000000e-04  2.6422000000e-03 -2.6248000000e-03  2.5796000000e-03 -3.3559000000e-03 -3.0841000000e-03 -4.6040000000e-04 -7.4720000000e-03  8.1860000000e-04 -3.9860000000e-03  2.8627000000e-03  3.2810000000e-04 -1.5547000000e-03  3.7757000000e-03 -5.0100000000e-04  3.8972000000e-03
-
-JOB 127
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2514200000e-01  2.1686700000e-01 -4.3398300000e-01 -2.2876700000e-01 -6.9527100000e-01  6.1684400000e-01 -2.2148990000e+00  1.4533850000e+00  1.9190730000e+00 -1.5707260000e+00  9.4874700000e-01  2.4156750000e+00 -1.7011510000e+00  2.1291840000e+00  1.4768180000e+00
-ENERGY -1.526564223354e+02
-FORCES -6.6467000000e-03 -2.5784000000e-03  4.2720000000e-04  4.7076000000e-03 -3.0240000000e-04  7.6110000000e-04  1.7830000000e-03  3.1425000000e-03 -1.2733000000e-03  7.3589000000e-03  1.4186000000e-03  2.0580000000e-04 -3.5378000000e-03  5.4360000000e-04 -1.4639000000e-03 -3.6650000000e-03 -2.2239000000e-03  1.3431000000e-03
-
-JOB 128
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5316000000e-01  6.7805400000e-01  5.7597900000e-01  2.2762300000e-01  4.6410900000e-01 -8.0561900000e-01  1.5919350000e+00  1.8394760000e+00  1.3563250000e+00  2.0879650000e+00  1.1427440000e+00  9.2649800000e-01  2.2454440000e+00  2.3222420000e+00  1.8623830000e+00
-ENERGY -1.526583119819e+02
-FORCES  1.7000000000e-06  9.2275000000e-03  2.7073000000e-03 -1.2164000000e-03 -4.6722000000e-03 -3.5373000000e-03  8.3730000000e-04 -2.6317000000e-03  2.8932000000e-03  2.5174000000e-03 -4.6758000000e-03 -1.1571000000e-03  3.1400000000e-04  5.9050000000e-03  1.7172000000e-03 -2.4540000000e-03 -3.1529000000e-03 -2.6233000000e-03
-
-JOB 129
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1736400000e-01 -4.1261600000e-01  6.0402100000e-01  5.2564300000e-01  5.7872300000e-01  5.5227900000e-01  1.5127860000e+00  1.5525640000e+00  1.6340680000e+00  8.2844400000e-01  2.0526390000e+00  2.0788520000e+00  2.0536420000e+00  2.2153340000e+00  1.2046000000e+00
-ENERGY -1.526595173537e+02
-FORCES  9.3671000000e-03  7.0934000000e-03  1.0998800000e-02  1.8934000000e-03  2.5146000000e-03 -7.0210000000e-04 -8.3853000000e-03 -3.7974000000e-03 -5.6552000000e-03 -1.7568000000e-03  1.4800000000e-03 -3.1476000000e-03  2.6675000000e-03 -4.0878000000e-03 -4.0774000000e-03 -3.7860000000e-03 -3.2028000000e-03  2.5836000000e-03
-
-JOB 130
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8863500000e-01 -1.5498700000e-01  8.0836000000e-01  4.3637000000e-02 -8.3261600000e-01 -4.7018900000e-01  1.6303330000e+00  1.6774860000e+00 -1.4113230000e+00  1.0969070000e+00  2.0986420000e+00 -2.0853530000e+00  1.1614070000e+00  8.6903900000e-01 -1.2045500000e+00
-ENERGY -1.526569070197e+02
-FORCES  3.3194000000e-03  1.2007000000e-03  3.6912000000e-03 -2.6152000000e-03 -2.4250000000e-04 -4.9325000000e-03  2.6994000000e-03  7.3666000000e-03 -1.2700000000e-04 -1.1434600000e-02 -6.7371000000e-03  6.2464000000e-03  1.2607000000e-03 -2.0586000000e-03  2.0058000000e-03  6.7703000000e-03  4.7090000000e-04 -6.8839000000e-03
-
-JOB 131
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0934000000e-01  1.9174300000e-01 -7.8742600000e-01 -7.9835600000e-01 -4.1553700000e-01 -3.2586600000e-01  1.6143800000e+00 -1.7952290000e+00  1.3193250000e+00  2.4440670000e+00 -1.8417630000e+00  8.4426100000e-01  1.1082580000e+00 -1.1294290000e+00  8.5372600000e-01
-ENERGY -1.526596180179e+02
-FORCES -1.0094000000e-03 -3.5508000000e-03 -2.0842000000e-03 -1.3405000000e-03 -3.1258000000e-03  5.2245000000e-03  4.7498000000e-03  2.6040000000e-03  8.8410000000e-04 -7.3330000000e-03  9.9462000000e-03 -6.8358000000e-03 -3.3433000000e-03  1.3969000000e-03  3.0900000000e-05  8.2764000000e-03 -7.2706000000e-03  2.7805000000e-03
-
-JOB 132
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0486000000e-01 -5.1536000000e-01  6.2908800000e-01  6.7729200000e-01  4.2477900000e-01  5.2637400000e-01  1.7291590000e+00  1.6335780000e+00  1.8497060000e+00  1.1713140000e+00  2.1204580000e+00  2.4563270000e+00  2.4619150000e+00  1.3321650000e+00  2.3867820000e+00
-ENERGY -1.526610801378e+02
-FORCES  4.3820000000e-03  2.9366000000e-03  7.1206000000e-03  1.3533000000e-03  1.7384000000e-03 -1.7743000000e-03 -5.8403000000e-03 -5.6293000000e-03 -5.9835000000e-03  9.9090000000e-04  2.3545000000e-03  4.8457000000e-03  3.1483000000e-03 -2.9506000000e-03 -2.2112000000e-03 -4.0341000000e-03  1.5505000000e-03 -1.9973000000e-03
-
-JOB 133
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6278500000e-01 -4.9546600000e-01 -4.8110400000e-01  5.0222600000e-01  5.7039200000e-01  5.8194000000e-01  1.6480720000e+00  1.9277810000e+00  1.8975250000e+00  2.0228520000e+00  1.2382230000e+00  2.4455030000e+00  2.3529060000e+00  2.1651420000e+00  1.2949470000e+00
-ENERGY -1.526594372792e+02
-FORCES  4.9951000000e-03  3.7540000000e-03  3.0404000000e-03 -1.7043000000e-03  2.0875000000e-03  2.1033000000e-03 -3.2158000000e-03 -7.6389000000e-03 -6.1630000000e-03  6.4730000000e-03  1.9197000000e-03  3.1380000000e-03 -2.4207000000e-03  2.6329000000e-03 -4.4877000000e-03 -4.1274000000e-03 -2.7551000000e-03  2.3689000000e-03
-
-JOB 134
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6852300000e-01 -5.9921900000e-01 -4.8368400000e-01 -4.3589000000e-01 -5.5334600000e-01  6.4810400000e-01  1.8909440000e+00 -1.4714070000e+00 -1.5149850000e+00  2.5707510000e+00 -1.9548780000e+00 -1.0455710000e+00  2.3709770000e+00 -8.3056500000e-01 -2.0395050000e+00
-ENERGY -1.526616667650e+02
-FORCES  6.1371000000e-03 -8.0695000000e-03 -5.0225000000e-03 -7.1657000000e-03  6.0543000000e-03  5.9248000000e-03  2.2431000000e-03  8.6090000000e-04 -2.0420000000e-03  3.8543000000e-03  2.3478000000e-03  4.9540000000e-04 -3.2052000000e-03  2.5894000000e-03 -2.4594000000e-03 -1.8637000000e-03 -3.7829000000e-03  3.1038000000e-03
-
-JOB 135
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5742200000e-01 -4.0633000000e-01 -7.3613300000e-01 -5.8621300000e-01  6.3917600000e-01 -4.0501900000e-01  1.6851560000e+00  1.5247710000e+00  2.0151670000e+00  1.0340470000e+00  2.1205910000e+00  2.3856900000e+00  1.2221060000e+00  1.0712220000e+00  1.3108170000e+00
-ENERGY -1.526608122101e+02
-FORCES -1.8018000000e-03 -1.2707000000e-03 -6.0163000000e-03 -2.5203000000e-03  2.5680000000e-03  3.5068000000e-03  3.6422000000e-03 -2.5517000000e-03  2.6129000000e-03 -7.0822000000e-03 -3.6578000000e-03 -4.2733000000e-03  1.8468000000e-03 -1.5744000000e-03 -1.5991000000e-03  5.9153000000e-03  6.4866000000e-03  5.7690000000e-03
-
-JOB 136
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5270100000e-01  4.9382400000e-01  6.0571600000e-01  5.6187900000e-01 -5.2988900000e-01  5.6545700000e-01 -1.5868120000e+00 -1.5138000000e+00  1.8316160000e+00 -2.1335270000e+00 -9.2975200000e-01  1.3060470000e+00 -2.1394860000e+00 -1.7557370000e+00  2.5747500000e+00
-ENERGY -1.526550302986e+02
-FORCES -4.8330000000e-04 -4.7122000000e-03  9.4695000000e-03 -1.5638000000e-03 -1.1993000000e-03 -3.5191000000e-03  6.3440000000e-04  3.4275000000e-03 -3.9011000000e-03 -4.1153000000e-03  6.7760000000e-04 -2.6957000000e-03  2.7040000000e-03  1.1670000000e-04  4.4559000000e-03  2.8239000000e-03  1.6896000000e-03 -3.8094000000e-03
-
-JOB 137
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.7984100000e-01 -5.0094200000e-01 -5.7364900000e-01  4.7572000000e-01  8.1269400000e-01  1.7161300000e-01  1.8350640000e+00 -1.7063140000e+00  1.3830580000e+00  1.3293520000e+00 -1.0863620000e+00  1.9085540000e+00  1.1913530000e+00 -2.1063640000e+00  7.9839700000e-01
-ENERGY -1.526547134251e+02
-FORCES  9.4913000000e-03 -6.3700000000e-05 -4.6360000000e-04 -3.8811000000e-03 -9.2710000000e-04  2.6493000000e-03 -2.6787000000e-03 -3.2643000000e-03  3.7790000000e-04 -1.1285200000e-02  5.1372000000e-03 -1.3922000000e-03  4.5325000000e-03 -1.6898000000e-03  6.6320000000e-04  3.8212000000e-03  8.0770000000e-04 -1.8346000000e-03
-
-JOB 138
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3554300000e-01 -5.9606900000e-01 -5.2357100000e-01 -6.9497800000e-01 -5.5282100000e-01  3.5724900000e-01  1.4584200000e-01  2.6021000000e-02 -3.1356490000e+00  7.9433200000e-01 -4.0758500000e-01 -3.6903370000e+00  6.5731000000e-01  6.2518600000e-01 -2.5919280000e+00
-ENERGY -1.526556718911e+02
-FORCES -3.1267000000e-03 -5.9380000000e-03 -3.0887000000e-03  2.8580000000e-04  3.7851000000e-03  3.1502000000e-03  3.0598000000e-03  1.9370000000e-03 -4.9760000000e-04  2.9177000000e-03  3.7794000000e-03 -1.1710000000e-04 -2.7044000000e-03  1.1398000000e-03  3.7740000000e-03 -4.3240000000e-04 -4.7033000000e-03 -3.2208000000e-03
-
-JOB 139
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8457600000e-01 -4.6777600000e-01  2.8611000000e-01  3.3410600000e-01  7.6225600000e-01 -4.7283400000e-01  1.8142490000e+00 -1.7216040000e+00  1.6736520000e+00  1.1533570000e+00 -2.1342580000e+00  2.2296820000e+00  2.1539560000e+00 -9.9853400000e-01  2.2009110000e+00
-ENERGY -1.526605569659e+02
-FORCES  6.1949000000e-03 -3.4279000000e-03  1.2092000000e-03 -5.5472000000e-03  7.7856000000e-03 -4.3344000000e-03 -1.0800000000e-04 -2.8720000000e-03  2.5108000000e-03 -2.3140000000e-03 -8.8570000000e-04  6.8568000000e-03  3.9483000000e-03  2.0082000000e-03 -2.1760000000e-03 -2.1739000000e-03 -2.6082000000e-03 -4.0665000000e-03
-
-JOB 140
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8459700000e-01  2.9588600000e-01  4.6161800000e-01  5.0301000000e-01 -4.7479500000e-01  6.6165100000e-01 -1.3073800000e-01 -7.9040000000e-03 -2.9951610000e+00  5.2810900000e-01 -5.5486900000e-01 -2.5673980000e+00 -6.8080200000e-01 -6.2644100000e-01 -3.4758620000e+00
-ENERGY -1.526536499951e+02
-FORCES -3.7712000000e-03  1.5211000000e-03  3.5000000000e-03  3.6485000000e-03 -1.6512000000e-03 -9.4070000000e-04 -1.7668000000e-03  1.4462000000e-03 -4.4333000000e-03  1.1265000000e-03 -4.6067000000e-03  4.8701000000e-03 -9.2080000000e-04  8.1220000000e-04 -5.1776000000e-03  1.6838000000e-03  2.4784000000e-03  2.1815000000e-03
-
-JOB 141
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1361400000e-01 -8.2238000000e-01 -2.6238600000e-01  5.5872600000e-01 -2.3776600000e-01  7.3994900000e-01  1.6455070000e+00  1.2760090000e+00 -1.4517050000e+00  1.1668190000e+00  1.7749080000e+00 -2.1136640000e+00  9.8857400000e-01  6.9586400000e-01 -1.0668640000e+00
-ENERGY -1.526567906705e+02
-FORCES  1.0814500000e-02  5.7648000000e-03 -5.6428000000e-03  3.5094000000e-03  4.8880000000e-03  8.6450000000e-04 -3.4318000000e-03  1.3030000000e-04 -5.4611000000e-03 -1.7268300000e-02 -1.0848300000e-02  1.2548100000e-02 -5.1110000000e-04 -2.7115000000e-03  2.1684000000e-03  6.8872000000e-03  2.7768000000e-03 -4.4770000000e-03
-
-JOB 142
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3906600000e-01 -5.0094900000e-01 -5.0683000000e-01 -5.1582100000e-01 -6.6331200000e-01  4.5845100000e-01 -1.4731630000e+00 -1.7759100000e+00 -1.5520260000e+00 -1.1149080000e+00 -2.4164380000e+00 -9.3752700000e-01 -7.3813900000e-01 -1.5548570000e+00 -2.1239570000e+00
-ENERGY -1.526469834120e+02
-FORCES -7.2121000000e-03 -9.3758000000e-03 -5.7579000000e-03 -2.1327000000e-03  6.8440000000e-04 -7.0500000000e-05  3.5771000000e-03  3.9780000000e-04  9.0430000000e-04  7.5158000000e-03  5.1068000000e-03  2.0882000000e-03 -3.9520000000e-04  5.1707000000e-03  5.4500000000e-05 -1.3530000000e-03 -1.9839000000e-03  2.7814000000e-03
-
-JOB 143
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6777500000e-01  6.8067000000e-01  8.3646000000e-02  6.1175600000e-01  3.4274900000e-01 -6.5154400000e-01 -2.9472600000e-01 -1.5357600000e-01  3.2538740000e+00  4.8695100000e-01  3.3226300000e-01  2.9908660000e+00 -6.0710400000e-01 -5.6111500000e-01  2.4460600000e+00
-ENERGY -1.526580822248e+02
-FORCES  2.7710000000e-04  4.1292000000e-03 -4.4890000000e-03  3.3394000000e-03 -3.7631000000e-03  6.0610000000e-04 -2.8485000000e-03 -9.1100000000e-04  2.9728000000e-03  3.7240000000e-03 -9.8020000000e-04 -7.2384000000e-03 -2.6802000000e-03 -4.2770000000e-04  2.9295000000e-03 -1.8118000000e-03  1.9528000000e-03  5.2190000000e-03
-
-JOB 144
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0380200000e-01  3.1199300000e-01  6.7402900000e-01  4.5669800000e-01 -7.3529500000e-01  4.0865600000e-01 -1.8969290000e+00 -1.9521390000e+00 -1.5127780000e+00 -1.3895910000e+00 -2.3758580000e+00 -2.2050940000e+00 -1.2441820000e+00 -1.4954140000e+00 -9.8215900000e-01
-ENERGY -1.526591129402e+02
-FORCES  1.2052000000e-03  2.8347000000e-03  6.4831000000e-03  3.1051000000e-03 -2.5928000000e-03 -3.6491000000e-03 -4.5356000000e-03  2.0941000000e-03 -4.1334000000e-03  6.6019000000e-03  4.6982000000e-03  8.4600000000e-05 -1.4072000000e-03  1.1868000000e-03  2.7952000000e-03 -4.9694000000e-03 -8.2210000000e-03 -1.5804000000e-03
-
-JOB 145
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3843000000e-01  6.4277800000e-01 -4.6169300000e-01  6.0378000000e-01  5.2545100000e-01  5.2496000000e-01  1.4337810000e+00 -1.5641630000e+00  1.8065090000e+00  1.9697280000e+00 -2.3518800000e+00  1.8986710000e+00  9.6447200000e-01 -1.6883680000e+00  9.8155200000e-01
-ENERGY -1.526604448189e+02
-FORCES  1.0161000000e-03  3.7241000000e-03  2.4060000000e-03  2.7605000000e-03 -1.4801000000e-03  2.5466000000e-03 -3.9001000000e-03 -1.6566000000e-03 -4.6332000000e-03 -2.8249000000e-03 -1.9662000000e-03 -4.7003000000e-03 -2.6291000000e-03  2.5894000000e-03 -1.2533000000e-03  5.5775000000e-03 -1.2107000000e-03  5.6343000000e-03
-
-JOB 146
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1925300000e-01  6.7922400000e-01  4.3042300000e-01  3.6547100000e-01  4.3084000000e-01 -7.7268300000e-01  1.4037160000e+00  1.6942730000e+00  1.7919780000e+00  1.8491390000e+00  1.1517780000e+00  1.1411870000e+00  6.6750400000e-01  2.0814290000e+00  1.3183380000e+00
-ENERGY -1.526493339530e+02
-FORCES -5.5870000000e-04  5.5478000000e-03  2.9018000000e-03  3.8642000000e-03  8.5550000000e-04 -1.9794000000e-03  4.9460000000e-04 -7.6820000000e-04  5.7754000000e-03 -3.6514000000e-03 -7.9347000000e-03 -8.6915000000e-03  1.2958000000e-03  4.6270000000e-03  1.7323000000e-03 -1.4445000000e-03 -2.3272000000e-03  2.6150000000e-04
-
-JOB 147
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0741600000e-01  6.1104800000e-01  6.1389300000e-01  3.3916000000e-02  4.7872500000e-01 -8.2819300000e-01 -1.4845900000e+00 -1.7993160000e+00  1.6018150000e+00 -1.6764680000e+00 -1.0966210000e+00  9.8082100000e-01 -2.3216730000e+00 -1.9750610000e+00  2.0315100000e+00
-ENERGY -1.526543569269e+02
-FORCES  1.8236000000e-03  4.0655000000e-03  4.7700000000e-04 -1.6513000000e-03 -5.0619000000e-03 -3.9884000000e-03 -6.2420000000e-04 -2.6250000000e-03  4.2043000000e-03 -3.5870000000e-04  2.2517000000e-03 -4.7729000000e-03 -2.8883000000e-03 -3.8790000000e-04  6.5568000000e-03  3.6989000000e-03  1.7576000000e-03 -2.4767000000e-03
-
-JOB 148
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9378000000e-01 -5.7401700000e-01  4.8390200000e-01  4.3242600000e-01  5.2237100000e-01  6.7555000000e-01 -1.6326410000e+00  1.4867640000e+00  1.5878370000e+00 -1.9661090000e+00  2.2418770000e+00  2.0724350000e+00 -1.0513410000e+00  1.8632830000e+00  9.2711400000e-01
-ENERGY -1.526554301403e+02
-FORCES -6.2799000000e-03 -2.8770000000e-04  1.0255000000e-02  3.7059000000e-03  1.7900000000e-05 -3.6568000000e-03 -2.6383000000e-03  3.0833000000e-03 -4.3531000000e-03  1.5127000000e-03  9.4280000000e-04 -5.5131000000e-03  2.6108000000e-03 -3.1638000000e-03 -3.2579000000e-03  1.0887000000e-03 -5.9250000000e-04  6.5260000000e-03
-
-JOB 149
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4238200000e-01 -5.7817800000e-01 -5.3643600000e-01 -6.6809600000e-01  3.2868500000e-01 -6.0153700000e-01 -1.5692280000e+00 -1.8774530000e+00 -1.5361610000e+00 -8.4993600000e-01 -2.4965290000e+00 -1.4112790000e+00 -1.2805420000e+00 -1.3161300000e+00 -2.2557500000e+00
-ENERGY -1.526494292507e+02
-FORCES -6.9355000000e-03 -6.7279000000e-03 -6.7712000000e-03 -4.5520000000e-04  1.0669000000e-03  8.6930000000e-04  3.6988000000e-03  1.6841000000e-03  2.4920000000e-04  5.7415000000e-03  3.3620000000e-04  1.5295000000e-03 -2.0272000000e-03  3.5429000000e-03 -1.1869000000e-03 -2.2400000000e-05  9.7800000000e-05  5.3101000000e-03
-
-JOB 150
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0110700000e-01 -5.5517900000e-01  7.7316600000e-01  9.4619300000e-01  1.0928300000e-01 -9.4905000000e-02 -1.6716030000e+00  1.8071510000e+00  1.8234850000e+00 -1.2175570000e+00  1.2636130000e+00  1.1795590000e+00 -2.1248750000e+00  1.1815730000e+00  2.3886660000e+00
-ENERGY -1.526587002658e+02
-FORCES  6.6245000000e-03 -2.5341000000e-03  7.5690000000e-04 -1.7895000000e-03  5.6264000000e-03 -2.7123000000e-03 -4.5195000000e-03 -1.5409000000e-03  4.9900000000e-04  1.9785000000e-03 -4.7784000000e-03 -4.7206000000e-03 -4.9892000000e-03  2.0402000000e-03  8.4793000000e-03  2.6952000000e-03  1.1867000000e-03 -2.3023000000e-03
-
-JOB 151
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9920600000e-01 -3.3397700000e-01  5.6196200000e-01  4.4090100000e-01  6.0186900000e-01 -5.9966000000e-01 -1.6025320000e+00 -1.8920070000e+00 -1.7232740000e+00 -2.0835740000e+00 -1.1002150000e+00 -1.9638900000e+00 -1.0752900000e+00 -1.6322270000e+00 -9.6778600000e-01
-ENERGY -1.526599486072e+02
-FORCES  5.0998000000e-03  2.6649000000e-03 -1.0851000000e-03 -3.5086000000e-03  9.1600000000e-04 -3.3245000000e-03 -2.0277000000e-03 -2.5020000000e-03  3.3290000000e-03  2.7980000000e-03  8.3446000000e-03  5.7210000000e-03  9.5830000000e-04 -2.7026000000e-03 -7.8300000000e-04 -3.3198000000e-03 -6.7208000000e-03 -3.8574000000e-03
-
-JOB 152
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2620000000e-01  6.0242000000e-01 -4.0149100000e-01 -4.8867100000e-01 -4.1594000000e-01  7.1023000000e-01 -1.8159350000e+00  1.7584650000e+00 -1.5096630000e+00 -1.6357330000e+00  2.5525090000e+00 -2.0129050000e+00 -2.4773460000e+00  1.2941420000e+00 -2.0226650000e+00
-ENERGY -1.526616671526e+02
-FORCES -6.6474000000e-03  5.2057000000e-03 -2.3238000000e-03  5.3870000000e-03 -6.9837000000e-03  5.5814000000e-03  9.0110000000e-04  1.3082000000e-03 -2.6992000000e-03 -4.0190000000e-04  1.5247000000e-03 -4.3581000000e-03 -2.1822000000e-03 -3.7730000000e-03  1.4226000000e-03  2.9434000000e-03  2.7181000000e-03  2.3771000000e-03
-
-JOB 153
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8836300000e-01  5.7433500000e-01 -6.5995900000e-01 -7.4677800000e-01 -4.4661900000e-01  3.9885500000e-01  1.6168830000e+00  1.5820520000e+00  1.6577050000e+00  1.1571030000e+00  2.1851940000e+00  2.2417030000e+00  9.5586300000e-01  1.3162320000e+00  1.0184680000e+00
-ENERGY -1.526584972954e+02
-FORCES -3.0944000000e-03 -2.5275000000e-03  1.0454000000e-03  3.0091000000e-03 -9.3880000000e-04  6.0294000000e-03  3.1930000000e-03  2.8748000000e-03 -2.7672000000e-03 -7.6368000000e-03 -5.8224000000e-03 -5.3641000000e-03  2.4010000000e-04 -2.7101000000e-03 -2.6122000000e-03  4.2890000000e-03  9.1240000000e-03  3.6688000000e-03
-
-JOB 154
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2384900000e-01 -7.3922500000e-01 -4.3603900000e-01  6.5034000000e-01  3.1266800000e-01  6.2891100000e-01  1.3979400000e-01 -8.8229000000e-02 -2.9968580000e+00 -6.0792000000e-02 -8.1160900000e-01 -2.4029570000e+00  7.0380900000e-01  4.9238200000e-01 -2.4859660000e+00
-ENERGY -1.526512560022e+02
-FORCES  3.6665000000e-03 -2.2100000000e-03  1.5970000000e-03 -3.1730000000e-03  3.6076000000e-03 -3.0408000000e-03 -2.8878000000e-03 -8.2780000000e-04 -4.0452000000e-03 -1.5115000000e-03  2.6005000000e-03  8.7009000000e-03  3.3986000000e-03  7.1800000000e-05  4.8530000000e-04  5.0720000000e-04 -3.2421000000e-03 -3.6972000000e-03
-
-JOB 155
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7331600000e-01 -5.6386600000e-01  5.1922600000e-01  4.2503000000e-01  5.6744000000e-01  6.4311300000e-01 -1.9304260000e+00 -1.8079760000e+00 -1.2878850000e+00 -2.4182650000e+00 -1.4180090000e+00 -5.6250900000e-01 -1.4011880000e+00 -2.4934470000e+00 -8.8012600000e-01
-ENERGY -1.526499955795e+02
-FORCES -1.6932000000e-03 -1.1746000000e-03  2.8514000000e-03  9.4540000000e-04  1.2129000000e-03 -8.5300000000e-04 -2.5152000000e-03 -2.8379000000e-03 -3.5494000000e-03  2.0792000000e-03  8.9880000000e-04  2.9045000000e-03  3.8774000000e-03 -1.7676000000e-03 -1.0954000000e-03 -2.6935000000e-03  3.6684000000e-03 -2.5800000000e-04
-
-JOB 156
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4473700000e-01  3.8897900000e-01 -4.5857800000e-01 -4.2826400000e-01 -5.4696200000e-01 -6.5852400000e-01 -1.6203900000e+00  1.6409860000e+00 -1.7617310000e+00 -1.1154580000e+00  1.0968170000e+00 -2.3660120000e+00 -9.6188600000e-01  2.1540990000e+00 -1.2934150000e+00
-ENERGY -1.526500038895e+02
-FORCES -3.8272000000e-03  8.3500000000e-04 -6.6480000000e-03 -4.2698000000e-03  3.6910000000e-04  8.2690000000e-04  3.5697000000e-03  1.3355000000e-03  1.3555000000e-03  7.4630000000e-03 -2.3732000000e-03  5.5116000000e-03 -1.3087000000e-03  7.5500000000e-05  2.9395000000e-03 -1.6271000000e-03 -2.4200000000e-04 -3.9857000000e-03
-
-JOB 157
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9739500000e-01 -4.9949100000e-01 -4.2471200000e-01 -4.6971100000e-01  4.1783500000e-01 -7.2181500000e-01 -1.3318200000e-01 -1.4044900000e-01  3.2108780000e+00 -5.4828700000e-01  5.8685600000e-01  2.7472530000e+00  4.2404700000e-01  2.7946000000e-01  3.8661680000e+00
-ENERGY -1.526546041653e+02
-FORCES  2.4216000000e-03 -2.5303000000e-03 -4.4627000000e-03 -3.0507000000e-03  2.5377000000e-03  7.9540000000e-04  1.7227000000e-03 -1.3333000000e-03  3.9519000000e-03  2.9580000000e-04  4.9202000000e-03 -2.5517000000e-03  4.6300000000e-04 -1.7900000000e-03  5.0265000000e-03 -1.8524000000e-03 -1.8043000000e-03 -2.7594000000e-03
-
-JOB 158
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8882900000e-01 -5.8085100000e-01  7.0386200000e-01 -8.0817600000e-01 -3.9817900000e-01 -3.2332100000e-01  1.8345130000e+00 -1.8572010000e+00 -1.5255250000e+00  1.2064370000e+00 -1.4622620000e+00 -2.1303190000e+00  2.3629860000e+00 -1.1221910000e+00 -1.2145460000e+00
-ENERGY -1.526556409612e+02
-FORCES -4.0820000000e-04 -7.9267000000e-03  1.0196000000e-03 -1.3253000000e-03  3.8726000000e-03 -1.6865000000e-03  3.1381000000e-03  2.0495000000e-03  3.5880000000e-04 -3.5438000000e-03  9.5403000000e-03  8.7080000000e-04  1.9148000000e-03 -3.3638000000e-03  3.3030000000e-04  2.2440000000e-04 -4.1720000000e-03 -8.9310000000e-04
-
-JOB 159
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2200500000e-01  3.0084300000e-01  7.4379800000e-01  4.2880200000e-01 -7.9606200000e-01  3.1407900000e-01  1.8479460000e+00  1.6510050000e+00 -1.3825600000e+00  1.2645210000e+00  2.1413580000e+00 -1.9616980000e+00  1.2607220000e+00  1.1248140000e+00 -8.3986000000e-01
-ENERGY -1.526616904777e+02
-FORCES  3.5590000000e-04 -1.1376000000e-03  2.9804000000e-03  2.6887000000e-03 -2.1261000000e-03 -3.6012000000e-03 -2.2506000000e-03  4.8008000000e-03 -9.6810000000e-04 -1.0160100000e-02 -5.6772000000e-03  3.9317000000e-03  1.5068000000e-03 -1.0316000000e-03  1.8819000000e-03  7.8592000000e-03  5.1717000000e-03 -4.2247000000e-03
-
-JOB 160
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6991400000e-01 -4.4772200000e-01  6.2527900000e-01 -5.5174500000e-01 -6.9376400000e-01 -3.6125000000e-01 -1.5220350000e+00 -1.4443680000e+00 -1.9862220000e+00 -9.9223100000e-01 -2.0487880000e+00 -2.5060460000e+00 -1.9916020000e+00 -9.1883500000e-01 -2.6339520000e+00
-ENERGY -1.526603193532e+02
-FORCES -4.3104000000e-03 -5.6886000000e-03 -4.0493000000e-03 -2.1546000000e-03  3.4570000000e-04 -3.1068000000e-03  5.7996000000e-03  3.4979000000e-03  7.6903000000e-03  1.2179000000e-03  2.8523000000e-03 -4.7651000000e-03 -2.5369000000e-03  2.6249000000e-03  2.4569000000e-03  1.9843000000e-03 -3.6323000000e-03  1.7740000000e-03
-
-JOB 161
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6033900000e-01 -5.7210300000e-01 -3.9100200000e-01 -4.4506300000e-01 -5.5176800000e-01  6.4319700000e-01 -1.7178190000e+00  1.7335470000e+00  1.7351170000e+00 -1.2528290000e+00  1.0961990000e+00  2.2771530000e+00 -1.0251420000e+00  2.2607110000e+00  1.3369590000e+00
-ENERGY -1.526545735755e+02
-FORCES -1.7492000000e-03 -4.8000000000e-03  4.9200000000e-04 -3.2412000000e-03  2.8960000000e-03  2.0202000000e-03  3.7046000000e-03  2.2619000000e-03 -8.9590000000e-04  7.8262000000e-03 -6.5900000000e-04 -3.0567000000e-03 -2.6820000000e-03  5.4300000000e-05 -2.0070000000e-03 -3.8584000000e-03  2.4670000000e-04  3.4474000000e-03
-
-JOB 162
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.9105300000e-01  4.8000900000e-01  2.4506900000e-01  4.2526000000e-01  5.5571400000e-01 -6.5312200000e-01  1.3975590000e+00 -1.4540780000e+00  1.9293160000e+00  9.5028600000e-01 -9.3492900000e-01  1.2609880000e+00  2.1191820000e+00 -1.8756280000e+00  1.4626390000e+00
-ENERGY -1.526611878831e+02
-FORCES  1.6760000000e-04  1.9823000000e-03  1.6530000000e-03  4.2798000000e-03 -1.5339000000e-03 -2.2527000000e-03 -2.6820000000e-03 -2.4910000000e-03  3.1110000000e-03 -4.9279000000e-03  5.2449000000e-03 -1.0222000000e-02  5.1626000000e-03 -5.0958000000e-03  7.0848000000e-03 -2.0000000000e-03  1.8937000000e-03  6.2580000000e-04
-
-JOB 163
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3375300000e-01 -1.3655300000e-01  5.9932500000e-01  4.7212800000e-01  7.4828800000e-01  3.6522900000e-01  1.5195010000e+00 -1.5949800000e+00 -1.6519060000e+00  1.0940980000e+00 -1.1209910000e+00 -9.3734400000e-01  8.0590800000e-01 -2.0572970000e+00 -2.0915410000e+00
-ENERGY -1.526601912182e+02
-FORCES  1.1515000000e-03 -8.7770000000e-04  1.5200000000e-04  3.5071000000e-03  1.8853000000e-03 -2.8335000000e-03 -2.7357000000e-03 -4.5085000000e-03 -1.1876000000e-03 -1.0587200000e-02  6.4783000000e-03  6.7958000000e-03  6.7830000000e-03 -3.6277000000e-03 -4.1203000000e-03  1.8813000000e-03  6.5030000000e-04  1.1936000000e-03
-
-JOB 164
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2944900000e-01 -5.5085700000e-01 -6.5449300000e-01  7.1601300000e-01  4.7776200000e-01  4.1868800000e-01  1.7424570000e+00  1.8316230000e+00 -1.5332740000e+00  1.2114320000e+00  2.5495660000e+00 -1.1885960000e+00  2.2391430000e+00  2.2238060000e+00 -2.2514160000e+00
-ENERGY -1.526564233180e+02
-FORCES  8.5726000000e-03  1.9418000000e-03 -5.3916000000e-03 -2.9922000000e-03 -8.1180000000e-04  3.2646000000e-03 -4.2321000000e-03 -8.6220000000e-04  1.1688000000e-03 -2.5346000000e-03  4.4083000000e-03 -1.2405000000e-03  4.0145000000e-03 -2.6098000000e-03 -6.5170000000e-04 -2.8283000000e-03 -2.0663000000e-03  2.8504000000e-03
-
-JOB 165
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5008600000e-01  6.1109700000e-01 -4.9009900000e-01  5.5417900000e-01  5.5940900000e-01  5.4422300000e-01  1.2052600000e-01 -3.3457380000e+00  1.5312000000e-01  8.1522700000e-01 -3.7575030000e+00 -3.6075900000e-01 -5.6317700000e-01 -3.1440820000e+00 -4.8572100000e-01
-ENERGY -1.526530781796e+02
-FORCES  1.0537000000e-03  4.6150000000e-03  1.7957000000e-03  2.0559000000e-03 -3.5097000000e-03  1.6970000000e-03 -2.3686000000e-03 -1.8912000000e-03 -2.6397000000e-03 -2.2470000000e-04  2.2744000000e-03 -5.1346000000e-03 -2.5204000000e-03  1.3472000000e-03  2.1988000000e-03  2.0041000000e-03 -2.8358000000e-03  2.0829000000e-03
-
-JOB 166
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5181700000e-01 -4.8739500000e-01 -6.8886800000e-01 -2.3210600000e-01 -6.6294000000e-01  6.5028400000e-01  1.6671300000e+00 -1.5803880000e+00 -1.5225130000e+00  2.2283330000e+00 -2.1127770000e+00 -9.5873600000e-01  1.1898500000e+00 -2.2163460000e+00 -2.0554230000e+00
-ENERGY -1.526592858625e+02
-FORCES  8.7481000000e-03 -1.0055200000e-02 -6.6300000000e-03 -7.7629000000e-03  4.8588000000e-03  3.4116000000e-03  9.5190000000e-04  1.4386000000e-03 -1.7015000000e-03  1.7790000000e-04 -1.4653000000e-03  3.9600000000e-03 -3.5753000000e-03  1.4961000000e-03 -3.4278000000e-03  1.4603000000e-03  3.7271000000e-03  4.3878000000e-03
-
-JOB 167
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5745800000e-01 -7.3326400000e-01  5.0077800000e-01  7.4256200000e-01  3.2958300000e-01 -5.0617000000e-01 -1.5771270000e+00  1.5261260000e+00  1.7007610000e+00 -9.6498100000e-01  9.0245100000e-01  1.3101980000e+00 -2.1527590000e+00  9.8871600000e-01  2.2448850000e+00
-ENERGY -1.526591094395e+02
-FORCES  2.7813000000e-03  2.2486000000e-03 -1.1443000000e-03 -3.1376000000e-03  5.4403000000e-03 -7.3760000000e-04 -3.1588000000e-03 -3.1647000000e-03  2.4857000000e-03  5.3438000000e-03 -7.2403000000e-03 -7.6335000000e-03 -4.7782000000e-03  2.4021000000e-03  9.2524000000e-03  2.9495000000e-03  3.1410000000e-04 -2.2227000000e-03
-
-JOB 168
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9534200000e-01  7.7664300000e-01 -5.2430800000e-01 -5.8949500000e-01 -5.1770900000e-01 -5.4836600000e-01 -8.5285000000e-02  9.2385000000e-02 -3.1470990000e+00 -5.0086700000e-01  7.4289500000e-01 -2.5810950000e+00 -7.6771200000e-01 -1.5319600000e-01 -3.7717720000e+00
-ENERGY -1.526523819361e+02
-FORCES  1.0119000000e-03 -1.3875000000e-03 -6.9849000000e-03 -3.3275000000e-03 -1.4296000000e-03  5.3120000000e-04  1.8710000000e-04  3.5601000000e-03  3.6244000000e-03 -4.0269000000e-03  2.2018000000e-03 -2.0486000000e-03  3.0510000000e-03 -3.5841000000e-03  1.2371000000e-03  3.1044000000e-03  6.3940000000e-04  3.6408000000e-03
-
-JOB 169
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0113000000e-01 -4.6368400000e-01  4.5787100000e-01  4.0660400000e-01  5.4547400000e-01  6.7332200000e-01 -1.2261000000e+00  1.6784940000e+00 -1.6660590000e+00 -9.9806800000e-01  8.8949700000e-01 -1.1744120000e+00 -2.1256320000e+00  1.5284600000e+00 -1.9568570000e+00
-ENERGY -1.526578617508e+02
-FORCES -1.1561000000e-03  7.6977000000e-03  1.1012000000e-03  1.7031000000e-03  4.5323000000e-03 -4.8720000000e-03 -2.2462000000e-03 -4.3674000000e-03 -2.3077000000e-03  7.3422000000e-03 -9.9390000000e-03  8.1587000000e-03 -8.9620000000e-03  4.0711000000e-03 -5.1711000000e-03  3.3190000000e-03 -1.9948000000e-03  3.0908000000e-03
-
-JOB 170
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6200600000e-01 -4.6376400000e-01  6.2072900000e-01  3.8121700000e-01  7.1514600000e-01  5.0938300000e-01 -1.8456580000e+00 -1.5845460000e+00  1.6824950000e+00 -2.5368320000e+00 -1.1680960000e+00  2.1973550000e+00 -1.3083870000e+00 -2.0430950000e+00  2.3284860000e+00
-ENERGY -1.526609765031e+02
-FORCES -5.5985000000e-03 -2.9263000000e-03  6.3630000000e-03  8.3522000000e-03  5.5900000000e-03 -4.7789000000e-03 -1.6299000000e-03 -2.6327000000e-03 -9.2710000000e-04 -2.8335000000e-03 -1.5393000000e-03  4.5068000000e-03  4.0242000000e-03 -2.2443000000e-03 -1.8473000000e-03 -2.3145000000e-03  3.7527000000e-03 -3.3164000000e-03
-
-JOB 171
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7416900000e-01 -5.7678100000e-01  5.9893200000e-01 -8.3892400000e-01 -4.3857800000e-01 -1.4173200000e-01  1.4508300000e+00  1.7267610000e+00 -1.4181880000e+00  8.2047500000e-01  2.3066290000e+00 -1.8455490000e+00  9.3319600000e-01  1.2413350000e+00 -7.7581100000e-01
-ENERGY -1.526586551081e+02
-FORCES  3.3137000000e-03  2.8317000000e-03 -5.8423000000e-03 -3.2365000000e-03  2.5315000000e-03 -3.1801000000e-03  4.1493000000e-03  7.3350000000e-04  2.0878000000e-03 -1.0945900000e-02 -9.0633000000e-03  7.2150000000e-03  9.0890000000e-04 -2.2049000000e-03  1.2109000000e-03  5.8105000000e-03  5.1715000000e-03 -1.4913000000e-03
-
-JOB 172
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1588400000e-01  3.8156200000e-01 -5.0808700000e-01 -4.3557700000e-01 -5.0232800000e-01  6.8860000000e-01  1.6738010000e+00 -1.8503630000e+00  1.6654580000e+00  1.2707820000e+00 -1.2894410000e+00  2.3281600000e+00  2.2402340000e+00 -1.2624690000e+00  1.1656930000e+00
-ENERGY -1.526558423605e+02
-FORCES -4.0347000000e-03 -3.0972000000e-03  7.7180000000e-04  2.9837000000e-03 -2.2894000000e-03  2.4016000000e-03  6.7850000000e-04  4.9073000000e-03 -1.3923000000e-03  1.7314000000e-03  6.9102000000e-03 -2.3903000000e-03 -8.4770000000e-04 -2.7531000000e-03 -3.1102000000e-03 -5.1130000000e-04 -3.6778000000e-03  3.7195000000e-03
-
-JOB 173
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5367500000e-01 -5.6598800000e-01 -4.1060700000e-01  4.6763900000e-01  4.2388800000e-01  7.1962800000e-01 -1.7055980000e+00  1.6709930000e+00 -1.8701420000e+00 -1.2266890000e+00  9.7903000000e-01 -1.4140010000e+00 -1.0588470000e+00  2.3644380000e+00 -2.0008290000e+00
-ENERGY -1.526604894034e+02
-FORCES  4.4023000000e-03 -2.1160000000e-04  3.5540000000e-03 -3.1648000000e-03  3.5454000000e-03  1.6051000000e-03 -1.1537000000e-03 -2.6102000000e-03 -3.6213000000e-03  6.9253000000e-03 -2.9533000000e-03  5.4536000000e-03 -4.9170000000e-03  3.9244000000e-03 -7.1401000000e-03 -2.0920000000e-03 -1.6947000000e-03  1.4880000000e-04
-
-JOB 174
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6744600000e-01  6.2615700000e-01 -4.4962700000e-01 -6.0358800000e-01 -5.8551000000e-01  4.5726600000e-01  2.8205700000e-01 -1.2599000000e-02  3.2407870000e+00  7.9350700000e-01 -6.4513300000e-01  2.7362550000e+00 -6.1651400000e-01 -3.3921100000e-01  3.1946740000e+00
-ENERGY -1.526523714659e+02
-FORCES -4.9201000000e-03  2.3887000000e-03  1.1558000000e-03  2.1192000000e-03 -2.9693000000e-03  1.6223000000e-03  2.8886000000e-03  1.0671000000e-03 -7.6380000000e-04 -7.1300000000e-05 -2.5690000000e-03 -4.4985000000e-03 -3.1714000000e-03  1.1210000000e-03  3.4042000000e-03  3.1550000000e-03  9.6140000000e-04 -9.1990000000e-04
-
-JOB 175
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6293900000e-01  5.6463500000e-01 -3.9740600000e-01 -3.9367700000e-01 -4.6446500000e-01 -7.3859500000e-01 -1.5561820000e+00 -1.8135780000e+00  1.9268750000e+00 -1.1495350000e+00 -2.1992680000e+00  1.1509150000e+00 -2.2383100000e+00 -2.4373720000e+00  2.1754980000e+00
-ENERGY -1.526523896594e+02
-FORCES  7.3140000000e-04  2.0139000000e-03 -4.4568000000e-03 -3.1982000000e-03 -2.3101000000e-03  2.0075000000e-03  2.0010000000e-03  5.6400000000e-05  4.0851000000e-03  9.3630000000e-04 -2.9526000000e-03 -2.6282000000e-03 -3.3962000000e-03  8.9000000000e-06  2.2611000000e-03  2.9258000000e-03  3.1836000000e-03 -1.2687000000e-03
-
-JOB 176
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7503200000e-01 -5.9874200000e-01 -3.1948600000e-01 -7.5776500000e-01 -1.7246900000e-01 -5.5881900000e-01 -1.8340000000e-01 -4.1421300000e-01  3.2457600000e+00 -6.1795200000e-01  3.1134000000e-02  2.5183940000e+00  4.2159700000e-01  2.3784000000e-01  3.5993680000e+00
-ENERGY -1.526577224925e+02
-FORCES  1.5959000000e-03 -4.7274000000e-03 -4.0333000000e-03 -3.0097000000e-03  3.0245000000e-03  6.9900000000e-05  2.9714000000e-03  8.0040000000e-04  3.0766000000e-03  1.1751000000e-03  4.7494000000e-03 -5.1440000000e-03 -7.5140000000e-04 -1.3149000000e-03  6.8410000000e-03 -1.9814000000e-03 -2.5321000000e-03 -8.1020000000e-04
-
-JOB 177
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3816400000e-01  8.8958000000e-02  7.8657400000e-01 -4.2518000000e-01 -8.5228100000e-01  9.5245000000e-02 -1.6496360000e+00 -1.8144560000e+00 -1.5831720000e+00 -2.1348670000e+00 -1.0740040000e+00 -1.9471960000e+00 -2.3153380000e+00 -2.3468620000e+00 -1.1477220000e+00
-ENERGY -1.526580695901e+02
-FORCES -1.4647000000e-03 -5.6899000000e-03 -6.7780000000e-04 -2.6387000000e-03 -1.5754000000e-03 -3.0239000000e-03  3.3772000000e-03  5.5658000000e-03  5.5827000000e-03 -4.5892000000e-03  3.2616000000e-03 -3.1932000000e-03  1.1311000000e-03 -4.6694000000e-03  1.5441000000e-03  4.1844000000e-03  3.1074000000e-03 -2.3190000000e-04
-
-JOB 178
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8109900000e-01  4.9781900000e-01  2.4143800000e-01  4.1266300000e-01  5.2035800000e-01 -6.8932500000e-01 -1.7093270000e+00  1.5444170000e+00 -1.8610100000e+00 -1.1404190000e+00  1.0405610000e+00 -2.4429940000e+00 -2.0019630000e+00  2.2844010000e+00 -2.3930060000e+00
-ENERGY -1.526569528361e+02
-FORCES -5.1243000000e-03  7.7526000000e-03 -2.9334000000e-03  3.9087000000e-03 -3.7109000000e-03  2.3020000000e-03  1.4800000000e-05 -3.5178000000e-03 -8.7100000000e-05  9.6000000000e-05 -6.3660000000e-04 -4.9309000000e-03 -7.3710000000e-04  3.7528000000e-03  3.3232000000e-03  1.8419000000e-03 -3.6401000000e-03  2.3263000000e-03
-
-JOB 179
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1644800000e-01  6.4313600000e-01  4.8568500000e-01 -6.4099200000e-01 -6.4306800000e-01 -3.0302600000e-01  1.7084640000e+00 -1.8869490000e+00 -1.4586270000e+00  2.3894850000e+00 -2.4139560000e+00 -1.8766040000e+00  1.2255210000e+00 -1.4971650000e+00 -2.1873700000e+00
-ENERGY -1.526526275693e+02
-FORCES -3.8680000000e-03 -2.2213000000e-03  1.2985000000e-03  2.9006000000e-03 -2.9414000000e-03 -2.0070000000e-03  1.8965000000e-03  4.0898000000e-03 -9.2200000000e-05  9.1950000000e-04  1.8077000000e-03 -4.2134000000e-03 -2.7495000000e-03  2.6742000000e-03  2.2680000000e-03  9.0090000000e-04 -3.4091000000e-03  2.7460000000e-03
-
-JOB 180
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7103900000e-01 -6.1332400000e-01 -5.6408100000e-01  6.7482600000e-01  3.6840100000e-01  5.7019500000e-01  1.7848270000e+00 -1.6691170000e+00  1.7191990000e+00  1.1996400000e+00 -1.1749740000e+00  2.2933160000e+00  1.2326880000e+00 -2.3579010000e+00  1.3491300000e+00
-ENERGY -1.526557279677e+02
-FORCES  9.7634000000e-03 -3.3277000000e-03  1.2217000000e-03 -3.7036000000e-03  1.2252000000e-03  7.9170000000e-04 -4.6065000000e-03  4.8150000000e-04  1.7090000000e-04 -8.7030000000e-03 -7.2670000000e-04 -3.9800000000e-05  3.7940000000e-03  6.5200000000e-05 -2.6525000000e-03  3.4557000000e-03  2.2825000000e-03  5.0790000000e-04
-
-JOB 181
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6510900000e-01  5.2928600000e-01 -6.4789000000e-01 -6.8371800000e-01 -5.2409600000e-01  4.1723500000e-01  1.4342910000e+00 -1.8452020000e+00 -1.6617630000e+00  7.6761800000e-01 -1.2703740000e+00 -1.2857950000e+00  9.5877000000e-01 -2.3812240000e+00 -2.2964230000e+00
-ENERGY -1.526587069874e+02
-FORCES -3.7610000000e-03  2.0106000000e-03  2.7403000000e-03  3.1746000000e-03 -5.6107000000e-03  1.8523000000e-03  3.7983000000e-03  2.0563000000e-03 -4.1116000000e-03 -5.4490000000e-03  5.6654000000e-03  5.0673000000e-03  2.0788000000e-03 -7.0522000000e-03 -8.6251000000e-03  1.5830000000e-04  2.9306000000e-03  3.0768000000e-03
-
-JOB 182
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9011400000e-01 -6.1073100000e-01 -4.4159400000e-01 -5.6261800000e-01  3.3673400000e-01 -6.9735400000e-01 -1.8227730000e+00 -1.6479740000e+00  1.2438790000e+00 -1.1223500000e+00 -2.1024930000e+00  1.7119090000e+00 -1.3948070000e+00 -8.8684600000e-01  8.5175500000e-01
-ENERGY -1.526582680189e+02
-FORCES -8.5650000000e-04 -5.7325000000e-03 -2.9465000000e-03 -2.8392000000e-03  3.4180000000e-03  2.2222000000e-03  1.1071000000e-03 -3.6737000000e-03  5.6527000000e-03  1.3478400000e-02  8.6185000000e-03 -3.7441000000e-03 -2.0341000000e-03 -6.0900000000e-05 -1.4112000000e-03 -8.8556000000e-03 -2.5694000000e-03  2.2690000000e-04
-
-JOB 183
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4719000000e-01 -5.6703100000e-01 -6.8859800000e-01 -5.6290200000e-01 -5.7247600000e-01  5.2119500000e-01  1.5628700000e+00 -1.6273800000e+00  1.7379600000e+00  2.0037260000e+00 -8.9683600000e-01  1.3041580000e+00  1.0544310000e+00 -2.0470770000e+00  1.0440040000e+00
-ENERGY -1.526512603524e+02
-FORCES -3.4760000000e-04 -6.0308000000e-03  3.9811000000e-03  5.8600000000e-04  8.6000000000e-04  5.3581000000e-03  2.8118000000e-03  5.8400000000e-04 -3.9371000000e-03 -3.2367000000e-03  8.2931000000e-03 -8.3423000000e-03  1.4960000000e-03 -4.5936000000e-03  1.9872000000e-03 -1.3095000000e-03  8.8730000000e-04  9.5300000000e-04
-
-JOB 184
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6689500000e-01  3.8054200000e-01 -7.4392800000e-01 -5.4044700000e-01 -6.9061300000e-01 -3.8367100000e-01 -1.4824780000e+00  1.7519770000e+00 -1.6623700000e+00 -1.9759730000e+00  2.3010160000e+00 -2.2716740000e+00 -2.1506970000e+00  1.2460760000e+00 -1.2000070000e+00
-ENERGY -1.526552861634e+02
-FORCES -1.1109000000e-03  3.4674000000e-03 -8.6942000000e-03  1.0913000000e-03 -3.8758000000e-03  4.0802000000e-03  1.4300000000e-04  2.8612000000e-03  2.2088000000e-03 -4.0402000000e-03 -9.8980000000e-04  3.5361000000e-03  2.5061000000e-03 -2.8381000000e-03  3.2359000000e-03  1.4106000000e-03  1.3751000000e-03 -4.3668000000e-03
-
-JOB 185
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3706100000e-01 -5.9207400000e-01 -6.7236100000e-01 -5.0612200000e-01 -5.6411000000e-01  5.8468100000e-01  1.2281630000e+00  1.9251830000e+00  1.3843140000e+00  1.7552860000e+00  2.3488240000e+00  7.0689100000e-01  7.1957000000e-01  1.2643270000e+00  9.1438400000e-01
-ENERGY -1.526590494091e+02
-FORCES  5.7995000000e-03  2.6737000000e-03  3.5566000000e-03 -2.9740000000e-03  1.7818000000e-03  3.4131000000e-03  3.4978000000e-03  2.9659000000e-03 -3.2738000000e-03 -6.2062000000e-03 -1.1086300000e-02 -1.1661200000e-02 -1.1019000000e-03 -1.5707000000e-03  1.3104000000e-03  9.8470000000e-04  5.2355000000e-03  6.6549000000e-03
-
-JOB 186
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2095700000e-01  5.2926000000e-01  6.0392100000e-01  4.0670400000e-01  6.3680700000e-01 -5.8762200000e-01 -1.6670200000e+00  1.7230210000e+00 -1.7391900000e+00 -2.4226230000e+00  1.9081110000e+00 -2.2968980000e+00 -1.9632400000e+00  1.0220060000e+00 -1.1586180000e+00
-ENERGY -1.526576662480e+02
-FORCES  1.7761000000e-03  7.1908000000e-03 -1.7757000000e-03 -6.4810000000e-04 -3.2515000000e-03 -3.7823000000e-03 -6.7100000000e-04 -4.1910000000e-03  3.9603000000e-03 -3.1525000000e-03 -4.0389000000e-03 -1.7970000000e-04  2.8530000000e-03 -1.6992000000e-03  2.7742000000e-03 -1.5750000000e-04  5.9897000000e-03 -9.9680000000e-04
-
-JOB 187
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7589000000e-01 -6.4712900000e-01  5.9679300000e-01 -6.2542600000e-01 -4.9571900000e-01 -5.2852300000e-01 -1.5803810000e+00 -1.5892070000e+00  1.5854780000e+00 -2.1936110000e+00 -1.1168210000e+00  1.0224220000e+00 -2.1380720000e+00 -2.0802190000e+00  2.1889020000e+00
-ENERGY -1.526549184314e+02
-FORCES -3.3577000000e-03 -9.8082000000e-03  6.2445000000e-03  2.3016000000e-03  3.6868000000e-03 -3.7628000000e-03 -1.0961000000e-03  3.0682000000e-03  1.6627000000e-03 -2.9159000000e-03  4.1724000000e-03 -1.4762000000e-03  2.4440000000e-03 -4.2648000000e-03  2.2020000000e-04  2.6240000000e-03  3.1456000000e-03 -2.8883000000e-03
-
-JOB 188
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2518000000e-02 -8.5907900000e-01 -4.1588000000e-01 -5.5463100000e-01  5.0743600000e-01 -5.9255800000e-01 -1.7958490000e+00  1.3812240000e+00  1.6550080000e+00 -1.2294690000e+00  8.7074200000e-01  2.2336740000e+00 -1.2500390000e+00  2.1142830000e+00  1.3704940000e+00
-ENERGY -1.526541624583e+02
-FORCES -7.0990000000e-03  1.2979000000e-03 -1.7457000000e-03 -1.1630000000e-03  3.4157000000e-03  2.4172000000e-03  4.6985000000e-03 -1.0684000000e-03  4.6470000000e-04  1.0407100000e-02 -4.7570000000e-03 -1.6114000000e-03 -3.8346000000e-03  3.1654000000e-03  1.0805000000e-03 -3.0090000000e-03 -2.0537000000e-03 -6.0520000000e-04
-
-JOB 189
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3379500000e-01  4.6303300000e-01  6.4567400000e-01  4.2099900000e-01 -7.0222200000e-01  4.9585900000e-01 -2.1048700000e-01  9.3866000000e-02  3.2390890000e+00 -6.8121700000e-01  7.4696700000e-01  3.7568770000e+00  3.5099000000e-02 -5.8185200000e-01  3.8710110000e+00
-ENERGY -1.526578475102e+02
-FORCES -2.2520000000e-04 -8.5940000000e-04  8.9959000000e-03  2.1120000000e-04  2.6550000000e-04 -5.4836000000e-03 -4.4210000000e-04  7.3790000000e-04 -3.9386000000e-03 -4.0970000000e-04 -1.8900000000e-04  5.8499000000e-03  1.8557000000e-03 -2.9616000000e-03 -2.6291000000e-03 -9.8980000000e-04  3.0066000000e-03 -2.7945000000e-03
-
-JOB 190
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4501200000e-01 -7.4849900000e-01  3.9742300000e-01 -5.6265300000e-01 -3.8451000000e-01 -6.7216500000e-01 -1.8233260000e+00  1.5097820000e+00 -1.4511140000e+00 -1.2120840000e+00  1.1311340000e+00 -2.0829690000e+00 -1.2650280000e+00  1.9605710000e+00 -8.1761300000e-01
-ENERGY -1.526560122250e+02
-FORCES -4.5434000000e-03 -2.2762000000e-03 -1.5589000000e-03 -3.1075000000e-03  2.8564000000e-03 -2.4407000000e-03  5.8167000000e-03  1.0811000000e-03  8.3300000000e-05  8.8947000000e-03  7.6920000000e-04  4.5304000000e-03 -3.0344000000e-03 -2.6519000000e-03  3.3728000000e-03 -4.0262000000e-03  2.2140000000e-04 -3.9869000000e-03
-
-JOB 191
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5625300000e-01 -2.5029800000e-01 -5.3072000000e-01 -6.3521800000e-01  3.3753200000e-01 -6.3150700000e-01  1.9059760000e+00  1.6414770000e+00 -1.5733930000e+00  2.5850240000e+00  1.0085320000e+00 -1.3399230000e+00  1.2655980000e+00  1.1336120000e+00 -2.0716110000e+00
-ENERGY -1.526480320368e+02
-FORCES  3.3598000000e-03  5.9796000000e-03 -5.4773000000e-03 -1.3273000000e-03 -4.4780000000e-04 -9.9820000000e-04  2.9134000000e-03 -2.1087000000e-03  1.3951000000e-03 -1.2776000000e-03 -4.3970000000e-03  1.7656000000e-03 -4.8110000000e-03  1.3694000000e-03 -7.3210000000e-04  1.1427000000e-03 -3.9550000000e-04  4.0469000000e-03
-
-JOB 192
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2771900000e-01  7.3663600000e-01  4.3664100000e-01 -6.4521900000e-01 -3.0972900000e-01 -6.3560400000e-01 -1.4748020000e+00 -1.7550550000e+00  1.5007450000e+00 -2.2400830000e+00 -1.9625840000e+00  2.0369430000e+00 -1.0521710000e+00 -1.0274980000e+00  1.9571170000e+00
-ENERGY -1.526531577561e+02
-FORCES -9.2014000000e-03 -4.5121000000e-03 -3.8180000000e-04  1.7673000000e-03 -4.1320000000e-03  1.1644000000e-03  3.6657000000e-03  3.6327000000e-03  3.0260000000e-04  4.8798000000e-03  4.2575000000e-03  1.5832000000e-03  3.5612000000e-03  2.4733000000e-03 -3.4483000000e-03 -4.6726000000e-03 -1.7193000000e-03  7.7990000000e-04
-
-JOB 193
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0674900000e-01  7.0196900000e-01  5.0796300000e-01  5.4126100000e-01  4.5383700000e-01 -6.4598800000e-01  6.4575000000e-02 -3.1560110000e+00 -2.1727500000e-01 -6.6846800000e-01 -2.6542940000e+00  1.3932000000e-01  3.0988700000e-01 -3.7560290000e+00  4.8702000000e-01
-ENERGY -1.526553108729e+02
-FORCES  2.7411000000e-03  4.5520000000e-03 -2.3244000000e-03  1.4317000000e-03 -3.8829000000e-03 -1.8369000000e-03 -2.6066000000e-03 -7.7000000000e-04  3.1795000000e-03 -1.9288000000e-03  3.4214000000e-03  4.4936000000e-03  1.2220000000e-03 -5.6625000000e-03 -9.3310000000e-04 -8.5940000000e-04  2.3419000000e-03 -2.5787000000e-03
-
-JOB 194
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9281600000e-01 -6.0043700000e-01 -4.5197000000e-01 -5.3062600000e-01 -5.6447500000e-01  5.6217000000e-01  1.8951950000e+00  1.6923480000e+00 -1.7576550000e+00  2.4246200000e+00  2.2746260000e+00 -2.3025340000e+00  1.3794710000e+00  1.1822860000e+00 -2.3822330000e+00
-ENERGY -1.526530512453e+02
-FORCES  1.9578000000e-03 -4.2584000000e-03  1.1465000000e-03 -4.0283000000e-03  1.8697000000e-03  4.9940000000e-04  2.4147000000e-03  2.8342000000e-03 -2.2711000000e-03 -1.5311000000e-03  1.1703000000e-03 -4.5008000000e-03 -2.4669000000e-03 -2.3166000000e-03  2.6825000000e-03  3.6538000000e-03  7.0080000000e-04  2.4436000000e-03
-
-JOB 195
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3009700000e-01 -5.2681300000e-01 -6.7358500000e-01 -5.9428700000e-01  5.7193500000e-01 -4.8574100000e-01  1.2838030000e+00  1.8800870000e+00 -1.9373940000e+00  8.2795300000e-01  2.3189600000e+00 -1.2191850000e+00  2.0031370000e+00  1.4113350000e+00 -1.5142370000e+00
-ENERGY -1.526555111008e+02
-FORCES -3.5500000000e-05  1.2709000000e-03 -9.6477000000e-03 -2.0410000000e-04  9.5520000000e-04  4.0849000000e-03  1.8397000000e-03 -2.6600000000e-05  3.9363000000e-03  1.3736000000e-03 -1.6791000000e-03  9.1928000000e-03 -7.6560000000e-04 -1.3805000000e-03 -4.0798000000e-03 -2.2081000000e-03  8.6010000000e-04 -3.4864000000e-03
-
-JOB 196
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0169200000e-01 -5.1877500000e-01  5.3392000000e-01 -5.5276900000e-01 -6.4793800000e-01 -4.3687000000e-01 -1.6051140000e+00 -1.4165650000e+00  1.7848880000e+00 -9.7291800000e-01 -2.0362780000e+00  1.4208580000e+00 -2.1772340000e+00 -1.9522910000e+00  2.3343500000e+00
-ENERGY -1.526491648105e+02
-FORCES -5.3661000000e-03 -5.0559000000e-03  5.6550000000e-03 -2.3034000000e-03 -1.5940000000e-04 -2.6293000000e-03  4.0129000000e-03  5.9950000000e-04  9.1450000000e-04  1.9277000000e-03 -2.7923000000e-03 -1.7570000000e-04 -1.2021000000e-03  3.8742000000e-03 -6.6320000000e-04  2.9310000000e-03  3.5339000000e-03 -3.1013000000e-03
-
-JOB 197
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1288300000e-01 -6.6338700000e-01  4.6162800000e-01 -4.3959300000e-01 -4.8133800000e-01 -7.0093100000e-01 -1.8399400000e+00 -1.5658450000e+00 -1.8775510000e+00 -1.3900310000e+00 -2.0815670000e+00 -2.5467630000e+00 -2.5854320000e+00 -1.1770770000e+00 -2.3350810000e+00
-ENERGY -1.526608153903e+02
-FORCES -4.0224000000e-03 -6.3864000000e-03 -3.3043000000e-03 -1.3930000000e-03  1.9632000000e-03 -1.8479000000e-03  7.4448000000e-03  4.6576000000e-03  5.1084000000e-03 -4.0182000000e-03 -4.8960000000e-04 -4.9021000000e-03 -1.6157000000e-03  2.9724000000e-03  3.6322000000e-03  3.6045000000e-03 -2.7172000000e-03  1.3137000000e-03
-
-JOB 198
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0563800000e-01 -2.9906400000e-01  4.2159200000e-01 -4.5212100000e-01 -8.0516200000e-01 -2.5205700000e-01 -1.4434040000e+00 -1.4593590000e+00  2.0996860000e+00 -9.8203000000e-01 -2.1863590000e+00  1.6815510000e+00 -2.2377860000e+00 -1.8542750000e+00  2.4591710000e+00
-ENERGY -1.526503247689e+02
-FORCES -2.3126000000e-03 -4.9004000000e-03  5.4978000000e-03 -2.8080000000e-03  3.8590000000e-04 -2.3726000000e-03  3.2105000000e-03  1.0978000000e-03 -3.9520000000e-04 -6.2430000000e-04 -3.2842000000e-03 -6.7600000000e-05 -1.1625000000e-03  4.2160000000e-03 -3.9160000000e-04  3.6968000000e-03  2.4850000000e-03 -2.2709000000e-03
-
-JOB 199
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3913600000e-01  4.4966000000e-01 -6.5066900000e-01 -6.5695600000e-01 -4.6841200000e-01 -5.1500600000e-01  1.7186380000e+00  1.4895770000e+00 -1.4617620000e+00  1.2396680000e+00  1.9000110000e+00 -2.1817370000e+00  2.3516600000e+00  2.1524730000e+00 -1.1859310000e+00
-ENERGY -1.526589463863e+02
-FORCES  9.0764000000e-03  6.4036000000e-03 -7.2120000000e-03 -8.6366000000e-03 -5.3293000000e-03  1.2161000000e-03  2.8950000000e-03  2.9528000000e-03 -2.5510000000e-04 -1.8190000000e-03  1.0811000000e-03  5.3184000000e-03  1.4379000000e-03 -3.0503000000e-03  4.5005000000e-03 -2.9537000000e-03 -2.0579000000e-03 -3.5678000000e-03
-
-JOB 200
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3300400000e-01 -3.4543000000e-01 -3.2095900000e-01  2.4184600000e-01  5.6991500000e-01  7.3002700000e-01 -1.6185790000e+00 -1.6826090000e+00 -1.7732550000e+00 -2.2179660000e+00 -1.0150920000e+00 -1.4395060000e+00 -1.2672390000e+00 -2.1035520000e+00 -9.8865400000e-01
-ENERGY -1.526559031105e+02
-FORCES  5.1134000000e-03  5.3220000000e-04 -1.3829000000e-03 -3.3887000000e-03  1.0773000000e-03  3.1257000000e-03 -1.7491000000e-03 -2.6702000000e-03 -3.6671000000e-03  1.5791000000e-03  6.1042000000e-03  8.6533000000e-03 -6.4240000000e-04 -3.4976000000e-03 -2.7370000000e-03 -9.1230000000e-04 -1.5459000000e-03 -3.9919000000e-03
-
-JOB 201
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1596000000e-01  4.8557700000e-01  5.4867200000e-01 -4.9200700000e-01 -1.9635200000e-01 -7.9725000000e-01  4.7236000000e-02 -3.1143680000e+00  2.8498000000e-02 -5.2632000000e-01 -2.6260990000e+00  6.1914100000e-01  4.9611900000e-01 -2.4402990000e+00 -4.8176500000e-01
-ENERGY -1.526565027390e+02
-FORCES -4.3868000000e-03  3.1359000000e-03 -7.5790000000e-04  2.4025000000e-03 -2.9758000000e-03 -2.4669000000e-03  3.3043000000e-03 -1.2505000000e-03  4.2954000000e-03  1.3497000000e-03  9.1979000000e-03  2.5681000000e-03 -4.8030000000e-04 -3.9716000000e-03 -1.7183000000e-03 -2.1894000000e-03 -4.1361000000e-03 -1.9204000000e-03
-
-JOB 202
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1693000000e-01  5.7374500000e-01  5.6553700000e-01 -6.4267300000e-01 -4.0613000000e-01 -5.8160300000e-01  1.4053000000e+00  1.3804910000e+00 -1.9366980000e+00  7.5467900000e-01  1.8271190000e+00 -2.4784070000e+00  8.9803500000e-01  9.9102200000e-01 -1.2244980000e+00
-ENERGY -1.526595248016e+02
-FORCES -2.6625000000e-03  1.6200000000e-05 -8.1940000000e-04  2.6858000000e-03 -2.4440000000e-03 -4.7272000000e-03  3.8709000000e-03  4.5970000000e-03  2.2544000000e-03 -7.6611000000e-03 -5.8534000000e-03  9.8939000000e-03  7.1780000000e-04 -2.3297000000e-03  2.6333000000e-03  3.0491000000e-03  6.0138000000e-03 -9.2350000000e-03
-
-JOB 203
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7388000000e-01 -5.1499600000e-01 -4.4373100000e-01 -3.3272100000e-01  5.9195400000e-01 -6.7462500000e-01  1.7654300000e+00  1.5118670000e+00 -1.8203640000e+00  2.3367450000e+00  2.2416560000e+00 -2.0596100000e+00  1.2818790000e+00  1.3128120000e+00 -2.6221040000e+00
-ENERGY -1.526542465290e+02
-FORCES  6.9392000000e-03  4.9029000000e-03 -6.2963000000e-03 -4.0962000000e-03 -9.7450000000e-04  1.6840000000e-03 -2.1134000000e-03 -3.3583000000e-03  1.1541000000e-03  1.5635000000e-03  3.0460000000e-03 -2.9567000000e-03 -2.8456000000e-03 -3.4457000000e-03  9.9750000000e-04  5.5250000000e-04 -1.7040000000e-04  5.4173000000e-03
-
-JOB 204
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5881900000e-01  6.6814800000e-01  5.0921100000e-01 -6.5508700000e-01 -3.2159200000e-01 -6.1941200000e-01 -1.9289420000e+00  1.4374660000e+00  1.5800540000e+00 -2.2756510000e+00  2.0343990000e+00  9.1695900000e-01 -2.7052370000e+00  1.0864180000e+00  2.0163600000e+00
-ENERGY -1.526587709687e+02
-FORCES -9.4650000000e-03  3.4931000000e-03  5.5966000000e-03  5.8235000000e-03 -5.5030000000e-04 -6.9399000000e-03  1.9629000000e-03  1.0380000000e-03  1.2375000000e-03 -3.9628000000e-03 -2.2034000000e-03  7.1370000000e-04  3.0548000000e-03 -4.7584000000e-03  2.0158000000e-03  2.5866000000e-03  2.9810000000e-03 -2.6236000000e-03
-
-JOB 205
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5642200000e-01  6.1688600000e-01  4.7547600000e-01  5.9522800000e-01  5.5386000000e-01 -5.0514800000e-01  2.0368480000e+00  1.4838280000e+00  1.7982750000e+00  2.7642020000e+00  1.5042980000e+00  2.4201820000e+00  2.3920840000e+00  1.0402400000e+00  1.0280350000e+00
-ENERGY -1.526542023311e+02
-FORCES -9.0100000000e-05  6.8085000000e-03  3.1894000000e-03  4.8760000000e-04 -3.2405000000e-03 -3.5050000000e-03  2.0580000000e-04 -3.0545000000e-03  2.1887000000e-03  3.8181000000e-03 -3.9864000000e-03 -4.2740000000e-04 -3.2422000000e-03 -5.2010000000e-04 -2.6544000000e-03 -1.1792000000e-03  3.9929000000e-03  1.2087000000e-03
-
-JOB 206
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7183800000e-01 -3.4943900000e-01  1.8445400000e-01  1.5510800000e-01  7.2443500000e-01 -6.0610800000e-01 -7.0566000000e-02 -3.4646470000e+00 -1.7215300000e-01 -4.7474700000e-01 -2.8554750000e+00  4.4572900000e-01  5.7510500000e-01 -2.9368100000e+00 -6.4197100000e-01
-ENERGY -1.526555073298e+02
-FORCES  3.7630000000e-03  4.0720000000e-03 -1.9817000000e-03 -4.5306000000e-03 -4.6220000000e-04 -1.4799000000e-03 -2.4650000000e-04 -3.2787000000e-03  2.7468000000e-03 -1.1545000000e-03  6.5550000000e-03 -2.6310000000e-04  2.7326000000e-03 -4.3720000000e-03 -1.3101000000e-03 -5.6390000000e-04 -2.5141000000e-03  2.2880000000e-03
-
-JOB 207
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4919600000e-01 -7.3111700000e-01 -5.6533200000e-01 -8.6391800000e-01 -2.3958700000e-01  3.3537300000e-01  1.5927480000e+00 -1.8451140000e+00  1.2038610000e+00  2.0181980000e+00 -1.2398650000e+00  5.9649100000e-01  9.8165500000e-01 -2.3414620000e+00  6.5940300000e-01
-ENERGY -1.526455697327e+02
-FORCES  1.3181000000e-03 -9.3741000000e-03  6.7715000000e-03  2.7212000000e-03 -8.3600000000e-05  3.2453000000e-03  3.2621000000e-03  6.2630000000e-04 -2.4364000000e-03 -7.2661000000e-03  1.0415000000e-02 -6.4936000000e-03 -6.8970000000e-04 -4.3564000000e-03 -6.4760000000e-04  6.5440000000e-04  2.7728000000e-03 -4.3920000000e-04
-
-JOB 208
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0094800000e-01  4.8575300000e-01  6.5523000000e-01  2.9392200000e-01  6.6705100000e-01 -6.2039100000e-01 -3.4843190000e+00  4.6226000000e-02 -6.4804000000e-02 -4.1958200000e+00  5.5487900000e-01  3.2413100000e-01 -3.1555080000e+00 -4.9454600000e-01  6.5330500000e-01
-ENERGY -1.526544241832e+02
-FORCES -2.6182000000e-03  5.6213000000e-03 -1.6623000000e-03  2.6689000000e-03 -2.8526000000e-03 -9.6320000000e-04 -1.4560000000e-04 -2.5584000000e-03  2.7425000000e-03 -2.0565000000e-03 -2.1003000000e-03  3.6978000000e-03  3.6713000000e-03 -1.7886000000e-03 -1.6595000000e-03 -1.5199000000e-03  3.6787000000e-03 -2.1554000000e-03
-
-JOB 209
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9662400000e-01  1.5683300000e-01  6.3745600000e-01 -2.2732000000e-02  7.6592800000e-01 -5.7364600000e-01 -1.6934630000e+00 -1.5823710000e+00  1.4285340000e+00 -1.3673070000e+00 -2.2433560000e+00  8.1783700000e-01 -2.2641580000e+00 -1.0263460000e+00  8.9808600000e-01
-ENERGY -1.526535266237e+02
-FORCES -3.3367000000e-03 -1.4529000000e-03  6.5415000000e-03 -1.5007000000e-03  2.5300000000e-03 -6.3131000000e-03 -2.2601000000e-03 -4.0498000000e-03  3.2029000000e-03  4.9636000000e-03 -8.2290000000e-04 -1.0365100000e-02 -3.3639000000e-03  1.0604000000e-03  3.8333000000e-03  5.4978000000e-03  2.7352000000e-03  3.1006000000e-03
-
-JOB 210
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3587500000e-01 -8.7723900000e-01  3.5808000000e-01 -5.4944600000e-01 -1.3816900000e-01 -7.7152500000e-01 -1.9552540000e+00 -1.7593590000e+00 -1.6844650000e+00 -2.3794790000e+00 -1.1131230000e+00 -2.2489510000e+00 -2.6496140000e+00 -2.0573600000e+00 -1.0968500000e+00
-ENERGY -1.526584932613e+02
-FORCES -4.0441000000e-03 -8.2825000000e-03 -4.2845000000e-03  5.7620000000e-04  3.4170000000e-03  9.0770000000e-04  2.9395000000e-03  6.0594000000e-03  2.2870000000e-03 -6.2643000000e-03 -6.6640000000e-04  1.4260000000e-04  3.3997000000e-03 -1.8154000000e-03  3.8693000000e-03  3.3929000000e-03  1.2880000000e-03 -2.9221000000e-03
-
-JOB 211
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3067900000e-01 -4.5044700000e-01 -6.5704600000e-01 -4.4668100000e-01 -7.0341400000e-01  4.7108100000e-01  1.6370890000e+00  1.5870840000e+00 -1.9209030000e+00  2.1960360000e+00  9.5838600000e-01 -1.4642320000e+00  2.2441880000e+00  2.1169370000e+00 -2.4375430000e+00
-ENERGY -1.526522485081e+02
-FORCES -5.4380000000e-04 -3.8426000000e-03 -2.7347000000e-03  6.4710000000e-04  1.3687000000e-03  4.3866000000e-03  1.7883000000e-03  3.5268000000e-03 -2.1836000000e-03  4.8114000000e-03  9.5810000000e-04  1.2548000000e-03 -3.7206000000e-03 -9.4000000000e-06 -3.2737000000e-03 -2.9825000000e-03 -2.0015000000e-03  2.5505000000e-03
-
-JOB 212
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8312700000e-01 -1.2095900000e-01  8.1742800000e-01  3.5589400000e-01  8.8651600000e-01  6.0505000000e-02  3.1500280000e+00  2.4126500000e-01  2.7662000000e-01  3.8363180000e+00 -5.2753000000e-02 -3.2237100000e-01  2.7346800000e+00 -5.6584400000e-01  5.8041700000e-01
-ENERGY -1.526574082941e+02
-FORCES  5.2940000000e-04  5.3439000000e-03  2.1265000000e-03  2.9293000000e-03 -8.8000000000e-05 -3.0029000000e-03 -4.2235000000e-03 -3.8142000000e-03  1.5640000000e-04 -8.0780000000e-04 -5.7656000000e-03 -1.9670000000e-03 -2.7089000000e-03  9.8120000000e-04  2.3741000000e-03  4.2816000000e-03  3.3428000000e-03  3.1290000000e-04
-
-JOB 213
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8193300000e-01  5.4328300000e-01  7.6679600000e-01  6.3421600000e-01  5.0617300000e-01 -5.0773100000e-01  3.4781400000e-01  4.4168000000e-02  3.2465860000e+00 -3.3294100000e-01  5.3737300000e-01  3.7043550000e+00  8.5124000000e-01  7.0917100000e-01  2.7769420000e+00
-ENERGY -1.526527213469e+02
-FORCES  7.0190000000e-04  2.4130000000e-03  2.5485000000e-03  2.0928000000e-03  8.8780000000e-04 -4.3318000000e-03 -2.2887000000e-03 -1.9569000000e-03  3.1918000000e-03  1.0278000000e-03  3.1337000000e-03  2.1657000000e-03  2.9393000000e-03 -2.1591000000e-03 -3.4169000000e-03 -4.4731000000e-03 -2.3185000000e-03 -1.5720000000e-04
-
-JOB 214
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1822500000e-01 -4.7039800000e-01  6.5299400000e-01  5.3273400000e-01  6.0989500000e-01  5.1034800000e-01  1.5761490000e+00  1.5372060000e+00  1.6493460000e+00  1.0647400000e+00  2.1698920000e+00  2.1537270000e+00  2.2341710000e+00  1.2149700000e+00  2.2653030000e+00
-ENERGY -1.526601545869e+02
-FORCES  7.6658000000e-03  6.1603000000e-03  1.0280700000e-02  1.3929000000e-03  1.5210000000e-03 -1.3753000000e-03 -6.8869000000e-03 -3.1014000000e-03 -5.7126000000e-03 -7.0650000000e-04 -3.0526000000e-03  6.8740000000e-04  2.3474000000e-03 -4.4335000000e-03 -2.1942000000e-03 -3.8127000000e-03  2.9062000000e-03 -1.6861000000e-03
-
-JOB 215
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7860500000e-01 -5.1978400000e-01  6.4575100000e-01  2.4933300000e-01  7.9589400000e-01  4.6970000000e-01 -1.9622430000e+00 -1.2296350000e+00 -1.6849250000e+00 -1.3054320000e+00 -6.6745600000e-01 -1.2740900000e+00 -1.8432900000e+00 -1.0906140000e+00 -2.6244760000e+00
-ENERGY -1.526609078433e+02
-FORCES -6.6550000000e-04  1.4356000000e-03  4.2941000000e-03  1.3801000000e-03  3.7508000000e-03 -5.4550000000e-03 -8.4660000000e-04 -4.3723000000e-03 -1.0187000000e-03  7.4631000000e-03  5.6822000000e-03  6.7770000000e-04 -7.1539000000e-03 -6.5822000000e-03 -1.4126000000e-03 -1.7720000000e-04  8.5900000000e-05  2.9145000000e-03
-
-JOB 216
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9055100000e-01  7.0683800000e-01 -2.6050300000e-01  5.7190300000e-01 -7.5778300000e-01  1.2216600000e-01  1.9064390000e+00 -1.6315290000e+00  1.4985130000e+00  1.4011060000e+00 -1.6756750000e+00  2.3102530000e+00  2.6305490000e+00 -2.2429180000e+00  1.6330520000e+00
-ENERGY -1.526605757615e+02
-FORCES  8.8590000000e-03 -2.9708000000e-03  2.0577000000e-03 -2.3510000000e-03 -1.6882000000e-03  3.6720000000e-04 -6.4929000000e-03  4.0618000000e-03 -3.1596000000e-03  6.9600000000e-05 -1.4884000000e-03  4.3318000000e-03  3.2448000000e-03 -9.7620000000e-04 -3.8848000000e-03 -3.3294000000e-03  3.0619000000e-03  2.8760000000e-04
-
-JOB 217
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6404100000e-01 -4.6994900000e-01 -6.1419700000e-01 -4.5523700000e-01 -6.8940300000e-01  4.8344000000e-01  1.8253360000e+00  1.8983430000e+00 -1.8590560000e+00  2.3608940000e+00  1.3041660000e+00 -1.3333530000e+00  2.4586740000e+00  2.4552650000e+00 -2.3117730000e+00
-ENERGY -1.526530522896e+02
-FORCES -6.1100000000e-04 -4.5043000000e-03 -1.8219000000e-03 -6.0340000000e-04  1.7116000000e-03  4.0091000000e-03  1.8222000000e-03  3.2606000000e-03 -2.1296000000e-03  4.7062000000e-03  9.9680000000e-04  1.5227000000e-03 -2.3556000000e-03  7.5400000000e-04 -3.6488000000e-03 -2.9583000000e-03 -2.2187000000e-03  2.0686000000e-03
-
-JOB 218
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5428200000e-01 -4.3281900000e-01 -5.4846600000e-01 -7.9253500000e-01  1.2687000000e-02 -5.3661800000e-01 -2.1613070000e+00 -1.7124200000e+00  2.1472550000e+00 -1.5011110000e+00 -2.2951770000e+00  2.5224450000e+00 -1.7176650000e+00 -1.2886880000e+00  1.4125000000e+00
-ENERGY -1.526571843899e+02
-FORCES  2.0268000000e-03  6.0190000000e-04 -6.5998000000e-03 -3.1589000000e-03  1.9547000000e-03  2.5690000000e-03  2.9972000000e-03 -1.8744000000e-03  4.4758000000e-03  6.9937000000e-03  8.8370000000e-04 -1.4498000000e-03 -2.9835000000e-03  1.4056000000e-03 -1.0390000000e-03 -5.8752000000e-03 -2.9715000000e-03  2.0439000000e-03
-
-JOB 219
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.1861600000e-01  1.9737800000e-01 -8.3787500000e-01  7.0750900000e-01 -6.0532300000e-01 -2.2191500000e-01  1.8834500000e+00  1.5808360000e+00 -1.6080870000e+00  9.8115200000e-01  1.8488150000e+00 -1.4340840000e+00  1.8081090000e+00  6.8717500000e-01 -1.9426400000e+00
-ENERGY -1.526494341599e+02
-FORCES  5.1796000000e-03 -6.1420000000e-04 -4.4034000000e-03  3.9605000000e-03  2.0765000000e-03  2.3025000000e-03 -3.3704000000e-03  2.1598000000e-03 -7.7680000000e-04 -6.9602000000e-03 -4.2058000000e-03  4.9101000000e-03  1.6806000000e-03 -9.5910000000e-04 -3.7590000000e-03 -4.9020000000e-04  1.5427000000e-03  1.7266000000e-03
-
-JOB 220
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9846500000e-01  8.1489600000e-01  6.0906000000e-02 -5.6744800000e-01 -5.9210700000e-01 -4.9360400000e-01  2.4661950000e+00 -1.2781960000e+00 -1.2030130000e+00  2.5655160000e+00 -7.0975800000e-01 -1.9667180000e+00  1.7540480000e+00 -1.8731780000e+00 -1.4376920000e+00
-ENERGY -1.526500827407e+02
-FORCES -3.1412000000e-03  1.9420000000e-04 -1.6002000000e-03  3.0990000000e-03 -3.4436000000e-03 -5.9520000000e-04  3.3615000000e-03  1.6252000000e-03  1.2946000000e-03 -5.8175000000e-03  2.9650000000e-03 -1.7646000000e-03  2.5330000000e-04 -2.6723000000e-03  2.3640000000e-03  2.2450000000e-03  1.3316000000e-03  3.0140000000e-04
-
-JOB 221
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7657100000e-01 -6.5685700000e-01 -6.7349300000e-01 -5.9786700000e-01 -4.3460000000e-01  6.0820200000e-01  1.8836310000e+00 -1.5921930000e+00 -1.6791520000e+00  2.5701680000e+00 -1.7747510000e+00 -1.0376140000e+00  2.2851510000e+00 -9.7568700000e-01 -2.2914710000e+00
-ENERGY -1.526602908754e+02
-FORCES  1.8107000000e-03 -6.1847000000e-03 -3.7461000000e-03 -6.1974000000e-03  5.2726000000e-03  5.0841000000e-03  2.7612000000e-03  7.5830000000e-04 -2.2261000000e-03  5.9219000000e-03  2.9900000000e-03  1.7005000000e-03 -2.5570000000e-03  1.6460000000e-04 -3.6079000000e-03 -1.7395000000e-03 -3.0008000000e-03  2.7955000000e-03
-
-JOB 222
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3286000000e-01 -2.6524000000e-02  7.9472500000e-01 -5.0033500000e-01 -5.0453100000e-01 -6.4136200000e-01 -1.5760570000e+00 -1.8660610000e+00 -1.9258620000e+00 -2.0278640000e+00 -1.1441580000e+00 -2.3628500000e+00 -2.2329490000e+00 -2.2398260000e+00 -1.3384740000e+00
-ENERGY -1.526593203030e+02
-FORCES -4.6912000000e-03 -5.9775000000e-03 -2.6075000000e-03  1.2718000000e-03 -1.2140000000e-04 -2.9304000000e-03  2.6631000000e-03  8.0397000000e-03  5.7844000000e-03 -6.3591000000e-03 -2.2842000000e-03 -2.4162000000e-03  3.4214000000e-03 -2.8079000000e-03  4.3400000000e-03  3.6940000000e-03  3.1513000000e-03 -2.1702000000e-03
-
-JOB 223
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7181000000e-01 -4.6429000000e-01  3.2400000000e-01  3.4384400000e-01  6.1271600000e-01 -6.5006400000e-01 -2.1020740000e+00  1.7326150000e+00  1.4269240000e+00 -1.5132400000e+00  1.4132400000e+00  7.4318000000e-01 -1.6009630000e+00  2.4129510000e+00  1.8766590000e+00
-ENERGY -1.526577471990e+02
-FORCES  5.7151000000e-03 -2.7939000000e-03  3.3000000000e-04 -2.8114000000e-03  2.2281000000e-03 -2.6168000000e-03 -3.2809000000e-03 -1.2336000000e-03  4.7537000000e-03  7.1166000000e-03 -2.9517000000e-03 -1.7926000000e-03 -5.1353000000e-03  6.8946000000e-03  9.8110000000e-04 -1.6041000000e-03 -2.1436000000e-03 -1.6553000000e-03
-
-JOB 224
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.4471800000e-01 -2.1683100000e-01  7.5663600000e-01 -1.3230400000e-01 -8.3558100000e-01 -4.4780800000e-01  3.6524330000e+00  3.0062000000e-02 -7.4124000000e-02  4.3779800000e+00 -4.1926600000e-01  3.5937000000e-01  4.0722400000e+00  7.0660500000e-01 -6.0542700000e-01
-ENERGY -1.526552393833e+02
-FORCES  4.4076000000e-03 -4.1542000000e-03  9.6330000000e-04 -4.4422000000e-03  4.4950000000e-04 -1.8716000000e-03 -3.1190000000e-04  3.0496000000e-03  1.6834000000e-03  4.9377000000e-03  2.1439000000e-03 -1.5756000000e-03 -3.5421000000e-03  1.6540000000e-03 -1.5940000000e-03 -1.0491000000e-03 -3.1428000000e-03  2.3946000000e-03
-
-JOB 225
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1002500000e-01  4.8919000000e-02 -9.3259200000e-01 -7.5223000000e-01 -5.9014400000e-01  4.5957000000e-02 -2.9198920000e+00 -1.4345350000e+00  7.9530200000e-01 -3.2091250000e+00 -1.1166480000e+00  1.6505930000e+00 -3.6539110000e+00 -1.9574900000e+00  4.7286400000e-01
-ENERGY -1.526596704145e+02
-FORCES -4.5509000000e-03 -3.1625000000e-03 -2.6322000000e-03 -6.9890000000e-04 -2.3390000000e-04  3.1482000000e-03  7.5486000000e-03  4.0040000000e-03 -1.4770000000e-03 -5.6025000000e-03 -9.9190000000e-04  3.0408000000e-03  5.6150000000e-04 -1.9731000000e-03 -3.8815000000e-03  2.7422000000e-03  2.3574000000e-03  1.8017000000e-03
-
-JOB 226
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9950000000e-01  8.0114000000e-01 -4.8436200000e-01 -6.0165000000e-02 -6.9681700000e-01 -6.5349700000e-01  1.8589600000e-01  2.1131400000e-01 -3.1493700000e+00  3.5926400000e-01  1.0889810000e+00 -2.8089670000e+00  5.1602700000e-01  2.3273900000e-01 -4.0475830000e+00
-ENERGY -1.526559613552e+02
-FORCES -1.3818000000e-03 -1.1796000000e-03 -7.5927000000e-03  1.8186000000e-03 -6.5830000000e-04  1.2402000000e-03  6.1000000000e-06  1.8585000000e-03  5.6910000000e-03  3.0769000000e-03  3.7196000000e-03 -3.8280000000e-03 -2.2007000000e-03 -3.9431000000e-03  4.4330000000e-04 -1.3191000000e-03  2.0280000000e-04  4.0462000000e-03
-
-JOB 227
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4915000000e-01 -8.2436700000e-01 -3.3874100000e-01  5.4601000000e-01  1.9718200000e-01  7.6106800000e-01  1.3804250000e+00 -1.9697190000e+00 -1.5954600000e+00  1.7928110000e+00 -2.0602260000e+00 -7.3640400000e-01  1.5614110000e+00 -1.0662000000e+00 -1.8545540000e+00
-ENERGY -1.526549359051e+02
-FORCES  2.3422000000e-03 -7.3324000000e-03 -1.9115000000e-03  3.6554000000e-03  6.9205000000e-03  4.3917000000e-03 -6.0650000000e-04 -2.2707000000e-03 -4.1905000000e-03  4.8331000000e-03  4.3890000000e-03 -3.6300000000e-04 -7.2008000000e-03  3.6118000000e-03 -2.0823000000e-03 -3.0235000000e-03 -5.3181000000e-03  4.1557000000e-03
-
-JOB 228
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6544300000e-01 -3.9042300000e-01  7.9388500000e-01 -7.9327800000e-01 -5.0681500000e-01 -1.7343800000e-01  1.7364180000e+00 -1.0943750000e+00 -1.7973320000e+00  1.0408720000e+00 -7.3436200000e-01 -1.2470260000e+00  2.0547810000e+00 -1.8566070000e+00 -1.3137220000e+00
-ENERGY -1.526579443371e+02
-FORCES  1.2643000000e-03 -2.9741000000e-03  1.6017000000e-03 -1.5158000000e-03  3.9510000000e-04 -6.0236000000e-03  7.0285000000e-03  1.2877000000e-03 -5.3220000000e-04 -9.3412000000e-03  6.1840000000e-03  1.1419600000e-02  4.4938000000e-03 -7.6226000000e-03 -6.4447000000e-03 -1.9297000000e-03  2.7299000000e-03 -2.0800000000e-05
-
-JOB 229
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4979000000e-02 -2.2092700000e-01  9.2833200000e-01 -3.7536000000e-02 -8.4335800000e-01 -4.5118700000e-01  1.4138210000e+00 -1.9576120000e+00 -1.4048920000e+00  8.3578300000e-01 -2.5394140000e+00 -9.1132400000e-01  1.8291790000e+00 -1.4101620000e+00 -7.3855300000e-01
-ENERGY -1.526524893273e+02
-FORCES  2.0370000000e-04 -6.2405000000e-03 -4.4811000000e-03  2.3447000000e-03 -1.0783000000e-03 -4.9693000000e-03  1.0999000000e-03 -2.3690000000e-04  6.8204000000e-03  1.6023000000e-03  3.8801000000e-03  6.6794000000e-03 -1.3972000000e-03  7.9565000000e-03 -1.4038000000e-03 -3.8535000000e-03 -4.2809000000e-03 -2.6456000000e-03
-
-JOB 230
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0404200000e-01  6.4311300000e-01  6.7897300000e-01  3.5680700000e-01  5.1786800000e-01 -7.2161900000e-01 -1.6344300000e-01  3.5224510000e+00  2.2230800000e-01  5.8224100000e-01  2.9334170000e+00  3.3731500000e-01  1.3450200000e-01  4.1636400000e+00 -4.2293400000e-01
-ENERGY -1.526540568225e+02
-FORCES -2.2597000000e-03  4.9688000000e-03 -8.3020000000e-04  3.4927000000e-03 -2.7463000000e-03 -2.4967000000e-03  2.5790000000e-04 -1.9345000000e-03  3.6236000000e-03  4.4398000000e-03  2.6039000000e-03 -2.2791000000e-03 -4.7406000000e-03  2.1990000000e-04 -8.1610000000e-04 -1.1902000000e-03 -3.1117000000e-03  2.7985000000e-03
-
-JOB 231
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.3211700000e-01 -6.9120800000e-01 -5.7285400000e-01  7.8015200000e-01  3.5196700000e-01  4.2861800000e-01 -1.5469290000e+00  1.6463000000e+00 -1.8636810000e+00 -2.0020060000e+00  1.1429110000e+00 -2.5387630000e+00 -7.6047100000e-01  1.1352590000e+00 -1.6724900000e+00
-ENERGY -1.526561006735e+02
-FORCES  3.3946000000e-03 -1.7835000000e-03  3.1848000000e-03 -2.7285000000e-03  5.7160000000e-03  4.5170000000e-04 -3.9137000000e-03 -1.7614000000e-03 -2.8641000000e-03  3.4912000000e-03 -6.3876000000e-03  4.2349000000e-03  2.2736000000e-03  9.6670000000e-04  2.7029000000e-03 -2.5172000000e-03  3.2498000000e-03 -7.7103000000e-03
-
-JOB 232
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2593200000e-01  5.2820400000e-01 -7.2869800000e-01 -6.4863400000e-01 -5.8164000000e-01 -3.9648700000e-01  1.6689160000e+00 -1.7853960000e+00 -1.0808820000e+00  1.2622270000e+00 -1.6358270000e+00 -1.9343830000e+00  1.1923910000e+00 -1.2088110000e+00 -4.8363300000e-01
-ENERGY -1.526539241318e+02
-FORCES  1.5214000000e-03 -3.2765000000e-03 -7.3702000000e-03  1.5540000000e-04 -6.8101000000e-03  3.1634000000e-03  7.5626000000e-03  1.2636000000e-03  8.2180000000e-04 -1.0964900000e-02  1.2127300000e-02  7.8072000000e-03 -4.0330000000e-04  1.2340000000e-03  3.3667000000e-03  2.1288000000e-03 -4.5382000000e-03 -7.7889000000e-03
-
-JOB 233
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5635600000e-01 -4.9629600000e-01  6.0032500000e-01 -3.5960500000e-01 -6.5881500000e-01 -5.9403600000e-01  1.7251970000e+00 -1.7496800000e+00  1.2082170000e+00  1.3498230000e+00 -2.4634500000e+00  1.7238320000e+00  2.0378920000e+00 -1.1217940000e+00  1.8595330000e+00
-ENERGY -1.526577672969e+02
-FORCES  9.1260000000e-03 -1.3776600000e-02  3.5146000000e-03 -3.1787000000e-03  8.8252000000e-03  1.7921000000e-03 -2.2650000000e-04  2.0287000000e-03  1.3415000000e-03 -1.7356000000e-03  4.7330000000e-04  1.6300000000e-03  1.6777000000e-03  4.3671000000e-03 -2.9560000000e-03 -5.6629000000e-03 -1.9177000000e-03 -5.3221000000e-03
-
-JOB 234
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1391300000e-01  7.5025200000e-01 -2.9874300000e-01  6.9675400000e-01  3.8324300000e-01  5.3281300000e-01  1.5968490000e+00  1.4596940000e+00  1.7726510000e+00  7.0854000000e-01  1.6103240000e+00  2.0958400000e+00  1.8533660000e+00  2.2933510000e+00  1.3783840000e+00
-ENERGY -1.526581578248e+02
-FORCES  8.7466000000e-03  7.8474000000e-03  5.5878000000e-03  1.7594000000e-03 -1.5323000000e-03  2.3422000000e-03 -9.2123000000e-03 -3.0795000000e-03 -3.4650000000e-03 -2.8165000000e-03  3.5832000000e-03 -5.9700000000e-05  4.3576000000e-03 -2.1573000000e-03 -5.8318000000e-03 -2.8348000000e-03 -4.6615000000e-03  1.4266000000e-03
-
-JOB 235
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3348400000e-01 -5.9153200000e-01  1.6829500000e-01 -1.3252600000e-01 -4.5386000000e-02 -9.4689400000e-01  1.8775540000e+00 -1.0884800000e+00 -2.2798580000e+00  2.4730620000e+00 -1.7072770000e+00 -2.7025770000e+00  1.6026450000e+00 -5.0095800000e-01 -2.9837580000e+00
-ENERGY -1.526573558368e+02
-FORCES  5.5897000000e-03 -4.8640000000e-03 -5.5558000000e-03 -3.6119000000e-03  2.3780000000e-03  2.9387000000e-03 -1.9042000000e-03  2.5858000000e-03  2.3137000000e-03  2.4924000000e-03 -2.8090000000e-04 -5.2448000000e-03 -2.4887000000e-03  3.0248000000e-03  1.8108000000e-03 -7.7300000000e-05 -2.8437000000e-03  3.7374000000e-03
-
-JOB 236
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3197400000e-01  7.7201900000e-01  1.9292800000e-01  8.2248200000e-01  3.5378800000e-01 -3.3850900000e-01  1.5849250000e+00  1.8300490000e+00 -1.2982220000e+00  2.2049310000e+00  2.5588260000e+00 -1.3248470000e+00  1.8306580000e+00  1.2786470000e+00 -2.0410560000e+00
-ENERGY -1.526581048937e+02
-FORCES  5.6775000000e-03  1.2961400000e-02 -3.7612000000e-03 -5.1170000000e-04 -3.1424000000e-03  8.5740000000e-04 -1.1369000000e-03 -7.1159000000e-03 -1.6320000000e-03  3.4870000000e-04 -8.4760000000e-04 -6.3020000000e-04 -3.4869000000e-03 -3.4684000000e-03 -1.0396000000e-03 -8.9060000000e-04  1.6129000000e-03  6.2055000000e-03
-
-JOB 237
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9517800000e-01  5.0441500000e-01 -7.5806800000e-01 -5.2506400000e-01 -7.0826300000e-01 -3.7269800000e-01 -1.8537500000e-01 -3.0436310000e+00  2.2655000000e-02 -8.4248900000e-01 -2.8810920000e+00  6.9942300000e-01 -5.2249400000e-01 -3.7962090000e+00 -4.6335800000e-01
-ENERGY -1.526562985422e+02
-FORCES  8.3930000000e-04 -4.9777000000e-03 -5.0961000000e-03 -1.1772000000e-03 -1.8499000000e-03  2.5901000000e-03 -1.4219000000e-03  6.5987000000e-03  2.5447000000e-03 -2.0933000000e-03 -4.3835000000e-03  3.2523000000e-03  2.2636000000e-03  5.1300000000e-04 -5.2398000000e-03  1.5893000000e-03  4.0994000000e-03  1.9489000000e-03
-
-JOB 238
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6825300000e-01  4.0293300000e-01 -6.5648000000e-01 -5.7592900000e-01 -5.7634700000e-01 -5.0235600000e-01  1.7760030000e+00 -1.7727680000e+00  1.6358190000e+00  1.6111270000e+00 -1.9278180000e+00  7.0576200000e-01  2.6665930000e+00 -2.0933320000e+00  1.7783720000e+00
-ENERGY -1.526526063365e+02
-FORCES -6.9100000000e-04  1.6133000000e-03 -3.0008000000e-03 -2.0204000000e-03 -2.9193000000e-03  2.9168000000e-03  4.0907000000e-03  1.3172000000e-03  2.6451000000e-03 -1.4210000000e-04  2.9850000000e-04 -4.6783000000e-03  2.5857000000e-03 -2.6629000000e-03  3.2263000000e-03 -3.8229000000e-03  2.3532000000e-03 -1.1093000000e-03
-
-JOB 239
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6894900000e-01 -7.4358500000e-01 -3.7868300000e-01  5.9983000000e-01  3.5239700000e-01  6.5745900000e-01 -3.2761300000e-01 -3.4299000000e-02 -3.4851950000e+00 -1.1456920000e+00 -4.9017900000e-01 -3.2873250000e+00 -2.3537700000e-01  6.0908000000e-01 -2.7824940000e+00
-ENERGY -1.526581311294e+02
-FORCES  4.8412000000e-03 -2.5411000000e-03  2.7681000000e-03 -2.4363000000e-03  3.8188000000e-03  2.0686000000e-03 -2.3838000000e-03 -1.5948000000e-03 -2.9723000000e-03 -3.8847000000e-03  2.0737000000e-03  4.7960000000e-03  3.4586000000e-03  1.0016000000e-03 -1.3339000000e-03  4.0490000000e-04 -2.7583000000e-03 -5.3265000000e-03
-
-JOB 240
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.0348300000e-01 -5.0519700000e-01 -5.4480800000e-01 -2.5537800000e-01  7.4149300000e-01 -5.4881800000e-01  9.8318000000e-02 -6.2540000000e-03  3.1021100000e+00  7.1172100000e-01  7.0671200000e-01  2.9242090000e+00 -2.1684000000e-01 -2.7280000000e-01  2.2384770000e+00
-ENERGY -1.526602000077e+02
-FORCES  1.2425000000e-03  9.4850000000e-04 -5.1479000000e-03 -2.7932000000e-03  2.8824000000e-03  2.0459000000e-03  1.9074000000e-03 -3.4290000000e-03  2.0540000000e-03  1.2202000000e-03  1.9754000000e-03 -9.0538000000e-03 -1.4231000000e-03 -1.5839000000e-03  2.2893000000e-03 -1.5380000000e-04 -7.9350000000e-04  7.8126000000e-03
-
-JOB 241
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6861200000e-01  1.0727800000e-01  5.6032100000e-01 -6.6981900000e-01 -3.6439900000e-01  5.7860900000e-01  2.0616010000e+00 -1.1714060000e+00  1.9798050000e+00  2.5144420000e+00 -1.9627200000e+00  1.6882760000e+00  2.5831020000e+00 -8.5433400000e-01  2.7171880000e+00
-ENERGY -1.526597472000e+02
-FORCES  3.4954000000e-03 -3.4504000000e-03  7.6406000000e-03 -4.7756000000e-03  3.7171000000e-03 -4.9328000000e-03  8.7420000000e-04  1.5203000000e-03 -2.6995000000e-03  4.3097000000e-03 -3.9656000000e-03  1.1372000000e-03 -1.4353000000e-03  3.5579000000e-03  2.4647000000e-03 -2.4685000000e-03 -1.3792000000e-03 -3.6102000000e-03
-
-JOB 242
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0708500000e-01  4.9063200000e-01  4.1897900000e-01  4.5852800000e-01  6.4867000000e-01 -5.3405100000e-01  1.5376760000e+00 -1.7789700000e+00  1.9081990000e+00  2.1306140000e+00 -1.2302340000e+00  2.4215660000e+00  1.5263110000e+00 -1.3739840000e+00  1.0409680000e+00
-ENERGY -1.526573665745e+02
-FORCES -4.1566000000e-03  4.1763000000e-03  1.8487000000e-03  3.0521000000e-03 -9.9280000000e-04 -3.1100000000e-03 -7.2780000000e-04 -3.6454000000e-03  3.4379000000e-03 -1.4890000000e-03  6.4062000000e-03 -4.5094000000e-03 -2.1248000000e-03 -1.6619000000e-03 -1.7394000000e-03  5.4460000000e-03 -4.2823000000e-03  4.0722000000e-03
-
-JOB 243
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.4259500000e-01  2.6210900000e-01 -6.5924400000e-01 -6.0429500000e-01 -5.7519100000e-01 -4.6927100000e-01 -2.0355630000e+00  1.2734520000e+00 -2.4360740000e+00 -2.3922920000e+00  2.0665400000e+00 -2.8360590000e+00 -1.8077240000e+00  1.5360690000e+00 -1.5442480000e+00
-ENERGY -1.526582540313e+02
-FORCES  1.5742000000e-03 -3.6492000000e-03 -5.2007000000e-03 -2.7179000000e-03 -3.7130000000e-04  3.5083000000e-03  2.3844000000e-03  3.3772000000e-03  3.1770000000e-03 -1.0763000000e-03  4.7949000000e-03  2.3668000000e-03  1.6936000000e-03 -2.9522000000e-03  1.9124000000e-03 -1.8580000000e-03 -1.1995000000e-03 -5.7638000000e-03
-
-JOB 244
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3642800000e-01  2.2011700000e-01  6.8025000000e-01  3.1443400000e-01  8.4652100000e-01 -3.1743400000e-01 -1.9149340000e+00 -1.1543820000e+00 -2.1013710000e+00 -2.5457850000e+00 -1.1044230000e+00 -2.8195370000e+00 -1.4612000000e+00 -3.1179500000e-01 -2.1214610000e+00
-ENERGY -1.526544262431e+02
-FORCES -1.3612000000e-03  2.4450000000e-03  4.3435000000e-03  3.3326000000e-03 -1.5490000000e-04 -3.0431000000e-03 -2.8665000000e-03 -4.2538000000e-03 -6.3970000000e-04  2.1620000000e-03  3.7683000000e-03 -9.2140000000e-04  2.9015000000e-03  2.5380000000e-04  3.5255000000e-03 -4.1684000000e-03 -2.0585000000e-03 -3.2648000000e-03
-
-JOB 245
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2871100000e-01 -7.0972900000e-01  4.7825000000e-01 -2.0297700000e-01  7.8699700000e-01  5.0563600000e-01  1.8892780000e+00 -1.7012130000e+00 -7.1203200000e-01  2.2428380000e+00 -1.7369780000e+00 -1.6008210000e+00  1.2439430000e+00 -9.9476900000e-01 -7.3871400000e-01
-ENERGY -1.526594565803e+02
-FORCES  5.8637000000e-03 -3.6162000000e-03  1.7327000000e-03  2.5378000000e-03  4.4956000000e-03 -2.9528000000e-03 -8.0010000000e-04 -4.4894000000e-03 -1.0727000000e-03 -7.6973000000e-03  1.0417000000e-02  1.7708000000e-03 -2.1646000000e-03  1.9809000000e-03  2.6113000000e-03  2.2606000000e-03 -8.7880000000e-03 -2.0893000000e-03
-
-JOB 246
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2975600000e-01 -7.3837500000e-01 -5.1214800000e-01  7.2011400000e-01  2.2377600000e-01  5.8956900000e-01 -2.3657130000e+00  1.1849260000e+00 -1.1760520000e+00 -1.4224780000e+00  1.1010320000e+00 -1.3157000000e+00 -2.6804920000e+00  1.6620290000e+00 -1.9438530000e+00
-ENERGY -1.526574493103e+02
-FORCES  3.3037000000e-03 -2.8292000000e-03  2.8872000000e-03 -1.5142000000e-03  4.5562000000e-03  1.4873000000e-03 -3.1111000000e-03 -1.5579000000e-03 -2.8303000000e-03  5.8235000000e-03 -3.3910000000e-04  3.2080000000e-04 -6.7588000000e-03  2.3089000000e-03 -4.8453000000e-03  2.2570000000e-03 -2.1389000000e-03  2.9802000000e-03
-
-JOB 247
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3465700000e-01 -4.2128700000e-01  4.4612600000e-01  2.5264400000e-01  7.1857800000e-01  5.7969700000e-01 -1.6936130000e+00 -1.3117490000e+00  1.6019400000e+00 -2.4037110000e+00 -9.1665300000e-01  2.1077970000e+00 -1.2063400000e+00 -1.8336390000e+00  2.2394570000e+00
-ENERGY -1.526593320447e+02
-FORCES -1.0761400000e-02 -6.1652000000e-03  1.1530300000e-02  5.0090000000e-03  4.0919000000e-03 -5.8143000000e-03 -8.3870000000e-04 -2.0178000000e-03 -9.8500000000e-04  5.7504000000e-03  2.7130000000e-03 -1.1171000000e-03  4.6584000000e-03 -1.8753000000e-03 -1.6349000000e-03 -3.8176000000e-03  3.2535000000e-03 -1.9789000000e-03
-
-JOB 248
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9986600000e-01 -3.3275500000e-01  8.0350000000e-01  1.9252500000e-01 -6.6774700000e-01 -6.5824000000e-01  1.8685850000e+00 -1.3902320000e+00 -1.4446680000e+00  1.6686410000e+00 -2.0376470000e+00 -7.6857000000e-01  2.4466750000e+00 -7.6196400000e-01 -1.0118600000e+00
-ENERGY -1.526531184857e+02
-FORCES  8.7024000000e-03 -7.7946000000e-03 -7.0878000000e-03  4.1810000000e-04  3.6450000000e-04 -3.5354000000e-03 -3.7705000000e-03 -3.9340000000e-04  6.6054000000e-03  8.3570000000e-04  5.9861000000e-03  7.5008000000e-03 -3.8747000000e-03  6.2763000000e-03 -2.0216000000e-03 -2.3111000000e-03 -4.4390000000e-03 -1.4613000000e-03
-
-JOB 249
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.6447400000e-01  6.0684200000e-01  4.7889900000e-01 -6.0394200000e-01 -5.2904500000e-01 -5.2115000000e-01  1.7231750000e+00 -1.4583850000e+00 -1.5916590000e+00  1.5381750000e+00 -8.5279500000e-01 -8.7383800000e-01  2.6085550000e+00 -1.2308240000e+00 -1.8754740000e+00
-ENERGY -1.526608115955e+02
-FORCES -2.4674000000e-03 -1.0020000000e-03 -2.0363000000e-03  8.7890000000e-04 -3.0305000000e-03 -2.8714000000e-03  2.8428000000e-03  3.5063000000e-03  3.9578000000e-03 -8.3090000000e-04  6.2914000000e-03  5.0467000000e-03  2.4324000000e-03 -5.8733000000e-03 -5.8404000000e-03 -2.8558000000e-03  1.0800000000e-04  1.7437000000e-03
-
-JOB 250
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7736000000e-01 -3.3929300000e-01 -5.8506100000e-01  4.5602300000e-01  6.3494100000e-01  5.5238100000e-01  2.1418740000e+00  1.7223470000e+00  1.4136470000e+00  1.3847650000e+00  2.2016710000e+00  1.7501950000e+00  2.4737710000e+00  2.2679630000e+00  7.0064000000e-01
-ENERGY -1.526577443155e+02
-FORCES  9.7472000000e-03  1.9129000000e-03  2.3601000000e-03 -3.0932000000e-03  8.0680000000e-04  6.4580000000e-04 -7.9320000000e-03 -1.4110000000e-04 -1.9060000000e-03  1.5491000000e-03  6.2702000000e-03 -1.0290000000e-04  1.9660000000e-03 -5.4312000000e-03 -4.2331000000e-03 -2.2372000000e-03 -3.4176000000e-03  3.2362000000e-03
-
-JOB 251
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7366100000e-01 -4.2621400000e-01  3.6881200000e-01 -2.5872800000e-01  9.1523100000e-01 -1.0791000000e-01  2.1469180000e+00 -1.1946870000e+00  9.7045900000e-01  1.5853900000e+00 -5.5702400000e-01  5.2966100000e-01  2.8180660000e+00 -6.6576300000e-01  1.4017730000e+00
-ENERGY -1.526591246115e+02
-FORCES  2.6162000000e-03 -4.8407000000e-03  5.5525000000e-03  2.2922000000e-03  4.1084000000e-03 -2.7682000000e-03  1.2855000000e-03 -4.5921000000e-03  1.5265000000e-03 -1.1283800000e-02  8.1094000000e-03 -5.2604000000e-03  8.4822000000e-03 -2.9532000000e-03  2.9474000000e-03 -3.3923000000e-03  1.6820000000e-04 -1.9978000000e-03
-
-JOB 252
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6570600000e-01  4.8185300000e-01  4.9080100000e-01  6.5350200000e-01 -2.4219900000e-01  6.5613000000e-01  2.6933750000e+00 -6.0676300000e-01  3.1301500000e-01  2.8367600000e+00 -1.5498630000e+00  3.9198100000e-01  3.5411150000e+00 -2.5729900000e-01  3.8346000000e-02
-ENERGY -1.526569292240e+02
-FORCES  6.9919000000e-03 -1.6330000000e-04  3.2628000000e-03  3.7494000000e-03 -1.4850000000e-03 -1.3855000000e-03 -8.1917000000e-03 -8.8180000000e-04  2.7380000000e-04  1.8150000000e-03  4.3860000000e-04 -3.7430000000e-03 -1.4535000000e-03  4.6981000000e-03  4.2980000000e-04 -2.9110000000e-03 -2.6065000000e-03  1.1621000000e-03
-
-JOB 253
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1462100000e-01 -7.1846400000e-01  4.7763000000e-01 -5.0674700000e-01  4.6832200000e-01  6.6341100000e-01 -1.3449620000e+00  1.2156910000e+00  2.0012510000e+00 -9.9690800000e-01  9.7709000000e-01  2.8604130000e+00 -2.2118430000e+00  8.1080700000e-01  1.9726180000e+00
-ENERGY -1.526590463223e+02
-FORCES -6.8593000000e-03  7.0354000000e-03  1.4138200000e-02 -1.5579000000e-03  2.1911000000e-03 -2.9060000000e-04  2.6660000000e-03 -6.0119000000e-03 -7.9652000000e-03  1.8465000000e-03 -4.2907000000e-03 -6.3640000000e-04 -2.3153000000e-03  3.9400000000e-05 -4.9453000000e-03  6.2200000000e-03  1.0366000000e-03 -3.0070000000e-04
-
-JOB 254
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8295400000e-01  3.0823500000e-01  5.9564900000e-01 -4.7186800000e-01 -4.9132800000e-01 -6.7243500000e-01  2.3407010000e+00 -8.3052900000e-01  1.2991500000e+00  3.2170580000e+00 -5.1449000000e-01  1.0792640000e+00  1.7693110000e+00 -4.2796600000e-01  6.4517100000e-01
-ENERGY -1.526610816303e+02
-FORCES -2.3762000000e-03 -2.2731000000e-03  2.9517000000e-03  1.8434000000e-03 -1.4757000000e-03 -4.0788000000e-03  1.3960000000e-03  2.6698000000e-03  3.2893000000e-03 -6.5411000000e-03  3.7127000000e-03 -5.4423000000e-03 -3.8195000000e-03 -3.8980000000e-04 -4.3540000000e-04  9.4974000000e-03 -2.2439000000e-03  3.7156000000e-03
-
-JOB 255
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1541000000e-01 -6.9281400000e-01 -2.3981500000e-01  4.4073800000e-01 -3.3083600000e-01  7.8264300000e-01  1.3310610000e+00 -2.1544080000e+00 -1.5563310000e+00  5.4788900000e-01 -1.6978970000e+00 -1.8636930000e+00  2.0466370000e+00 -1.5400160000e+00 -1.7197460000e+00
-ENERGY -1.526541047498e+02
-FORCES  2.4761000000e-03 -8.7327000000e-03  2.6638000000e-03  2.1911000000e-03  2.8419000000e-03 -2.4596000000e-03 -2.2234000000e-03  3.0297000000e-03 -2.1588000000e-03 -6.7110000000e-04  1.0409400000e-02  2.5100000000e-04 -4.3690000000e-04 -3.6484000000e-03  1.6619000000e-03 -1.3358000000e-03 -3.8998000000e-03  4.1700000000e-05
-
-JOB 256
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8783600000e-01  2.1532500000e-01 -2.8568300000e-01 -2.6676000000e-02  8.7352000000e-02  9.5283300000e-01 -2.1005620000e+00  9.2268500000e-01  1.8648980000e+00 -2.5257500000e+00  9.6669200000e-01  2.7213500000e+00 -2.7292290000e+00  4.6325000000e-01  1.3081840000e+00
-ENERGY -1.526566074035e+02
-FORCES -6.4908000000e-03  4.5359000000e-03  6.9722000000e-03  8.3040000000e-04 -2.2197000000e-03 -1.0429000000e-03  3.9880000000e-03 -2.6719000000e-03 -4.0582000000e-03 -4.8646000000e-03 -1.3097000000e-03  1.1461000000e-03  2.1208000000e-03 -5.5150000000e-04 -4.0426000000e-03  4.4161000000e-03  2.2168000000e-03  1.0254000000e-03
-
-JOB 257
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.8404900000e-01  7.3188100000e-01  5.4763000000e-01 -3.5220000000e-02  3.6223400000e-01 -8.8531200000e-01  1.7120120000e+00 -1.8594180000e+00 -1.2141190000e+00  1.8176980000e+00 -1.5338500000e+00 -2.1080260000e+00  1.3344400000e+00 -1.1227630000e+00 -7.3348400000e-01
-ENERGY -1.526571722868e+02
-FORCES -1.2636000000e-03  3.2014000000e-03 -9.6240000000e-04 -8.5340000000e-04 -4.1792000000e-03 -3.8004000000e-03  4.5112000000e-03 -4.2606000000e-03  4.3842000000e-03 -6.3104000000e-03  7.6222000000e-03  5.1156000000e-03 -1.8838000000e-03  5.9860000000e-04  3.5481000000e-03  5.8000000000e-03 -2.9824000000e-03 -8.2851000000e-03
-
-JOB 258
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.5320000000e-03 -9.3081000000e-01  2.2312000000e-01 -7.7293000000e-02  4.4910800000e-01  8.4176000000e-01 -2.1356180000e+00  1.5804540000e+00  2.4116590000e+00 -2.8456840000e+00  1.9471810000e+00  2.9384880000e+00 -1.7545450000e+00  2.3355980000e+00  1.9635820000e+00
-ENERGY -1.526560816413e+02
-FORCES -2.0927000000e-03 -2.5293000000e-03  5.6693000000e-03  6.3700000000e-04  3.2373000000e-03 -1.3984000000e-03  2.2768000000e-03 -4.2330000000e-04 -4.8064000000e-03 -3.3975000000e-03  5.0870000000e-03  5.8160000000e-04  2.8992000000e-03 -1.2634000000e-03 -2.3189000000e-03 -3.2280000000e-04 -4.1084000000e-03  2.2728000000e-03
-
-JOB 259
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0195100000e-01  3.0692900000e-01  6.7799800000e-01 -5.5967800000e-01 -4.5321400000e-01 -6.3054700000e-01 -2.3546380000e+00  1.1453170000e+00  6.2873200000e-01 -2.2385640000e+00  1.5245430000e+00  1.4999080000e+00 -3.2090950000e+00  1.4654680000e+00  3.3953000000e-01
-ENERGY -1.526537911213e+02
-FORCES -1.6092600000e-02  4.5865000000e-03 -6.2650000000e-04  3.6607000000e-03  7.7230000000e-04  5.6680000000e-03  3.5328000000e-03 -5.4330000000e-04 -9.7200000000e-05  2.8342000000e-03  3.7220000000e-04 -1.5868000000e-03  1.9453000000e-03 -3.9527000000e-03 -4.9476000000e-03  4.1195000000e-03 -1.2350000000e-03  1.5901000000e-03
-
-JOB 260
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6785200000e-01 -5.3162200000e-01  7.4957700000e-01 -8.1851700000e-01  3.5364300000e-01 -3.4813400000e-01 -1.7624160000e+00  1.1940680000e+00 -1.5082510000e+00 -2.2376070000e+00  1.9789440000e+00 -1.7810040000e+00 -2.3791560000e+00  4.7693700000e-01 -1.6551750000e+00
-ENERGY -1.526557305031e+02
-FORCES -8.8975000000e-03  8.7976000000e-03 -6.8003000000e-03 -1.6998000000e-03  2.3581000000e-03 -3.7553000000e-03  4.4410000000e-04 -8.9277000000e-03  2.6107000000e-03  4.2837000000e-03 -6.9240000000e-04  3.7270000000e-03  1.2308000000e-03 -5.1108000000e-03 -1.8440000000e-04  4.6387000000e-03  3.5751000000e-03  4.4023000000e-03
-
-JOB 261
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4937300000e-01 -3.1329200000e-01  5.0647800000e-01  2.8639100000e-01 -5.5560000000e-02 -9.1166100000e-01  1.8890900000e+00 -8.7022900000e-01  1.6769390000e+00  1.6331860000e+00 -1.5852460000e+00  2.2596030000e+00  2.4391410000e+00 -1.2865670000e+00  1.0133590000e+00
-ENERGY -1.526573051989e+02
-FORCES  1.1422400000e-02 -4.3015000000e-03  1.0641100000e-02 -3.6241000000e-03  9.4090000000e-04 -1.0619900000e-02  1.6151000000e-03 -1.2180000000e-03  4.1080000000e-03 -5.2765000000e-03 -2.4862000000e-03 -1.6718000000e-03  2.6187000000e-03  3.3644000000e-03 -3.5322000000e-03 -6.7557000000e-03  3.7003000000e-03  1.0750000000e-03
-
-JOB 262
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.5460600000e-01  3.8344600000e-01 -6.7942100000e-01 -5.8138600000e-01 -5.9000500000e-01  4.7970400000e-01 -2.1346390000e+00  1.1683910000e+00 -1.0490950000e+00 -2.3806840000e+00  1.5017240000e+00 -1.8620200000e-01 -2.0553900000e+00  1.9507110000e+00 -1.5949220000e+00
-ENERGY -1.526577379505e+02
-FORCES -1.6282200000e-02  4.9044000000e-03 -8.2073000000e-03  7.6251000000e-03 -1.5585000000e-03  2.3722000000e-03  1.3291000000e-03  2.3993000000e-03  8.7100000000e-05  5.3371000000e-03  4.8510000000e-04  6.9487000000e-03  8.2220000000e-04 -2.0060000000e-03 -4.8410000000e-03  1.1686000000e-03 -4.2242000000e-03  3.6403000000e-03
-
-JOB 263
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.4508100000e-01  1.9972700000e-01 -7.6107000000e-01 -3.9942700000e-01  4.9237500000e-01  7.1711700000e-01  1.9021100000e+00 -1.8386640000e+00 -8.3788400000e-01  9.6738200000e-01 -1.7559470000e+00 -6.4901000000e-01  1.9645840000e+00 -2.6035610000e+00 -1.4099520000e+00
-ENERGY -1.526565198145e+02
-FORCES -6.8400000000e-04  3.4309000000e-03  2.7530000000e-04  2.3789000000e-03 -2.9120000000e-03  3.7620000000e-03  1.7073000000e-03 -1.5166000000e-03 -3.8878000000e-03 -5.8439000000e-03  2.4209000000e-03  2.7969000000e-03  4.1042000000e-03 -5.1967000000e-03 -4.9709000000e-03 -1.6626000000e-03  3.7734000000e-03  2.0246000000e-03
-
-JOB 264
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0935200000e-01  6.0505700000e-01  6.1852100000e-01  2.7015900000e-01  5.5273500000e-01 -7.3330100000e-01  2.6363110000e+00 -1.1893160000e+00  4.8917200000e-01  2.1940400000e+00 -5.9818100000e-01  1.0984240000e+00  1.9825120000e+00 -1.3713800000e+00 -1.8583200000e-01
-ENERGY -1.526573659163e+02
-FORCES -3.1230000000e-04  4.2597000000e-03 -5.7780000000e-04  3.0948000000e-03 -2.5701000000e-03 -2.4614000000e-03 -6.2970000000e-04 -3.5612000000e-03  3.6229000000e-03 -1.1757300000e-02  3.4908000000e-03 -3.9170000000e-04  4.6467000000e-03 -7.2800000000e-04  1.1044000000e-03  4.9578000000e-03 -8.9120000000e-04 -1.2964000000e-03
-
-JOB 265
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1804500000e-01  7.1458900000e-01 -4.8045000000e-01  7.0630000000e-01 -3.8670800000e-01  5.1752200000e-01  1.4272370000e+00 -1.3548120000e+00 -2.3707820000e+00  1.6777950000e+00 -6.0793800000e-01 -1.8270610000e+00  1.5630040000e+00 -1.0538550000e+00 -3.2692390000e+00
-ENERGY -1.526503538125e+02
-FORCES  2.9350000000e-03 -4.2600000000e-04 -3.0580000000e-04  4.4410000000e-04 -4.5331000000e-03  5.8550000000e-04 -2.3274000000e-03  2.4861000000e-03 -3.4943000000e-03 -9.0720000000e-04  4.2501000000e-03  2.8910000000e-04  9.7280000000e-04 -1.0406000000e-03 -1.3429000000e-03 -1.1173000000e-03 -7.3650000000e-04  4.2683000000e-03
-
-JOB 266
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5566400000e-01 -1.1246000000e-02  5.3034000000e-02 -2.6074200000e-01  7.5519800000e-01  5.2718200000e-01  2.4689610000e+00 -7.7960000000e-02  5.4657200000e-01  3.0392190000e+00 -3.8857900000e-01 -1.5667200000e-01  3.0696230000e+00  1.8879000000e-01  1.2424760000e+00
-ENERGY -1.526540276101e+02
-FORCES  2.2358700000e-02  1.8445000000e-03  7.9046000000e-03 -1.1669000000e-03 -2.0261000000e-03 -5.8627000000e-03  8.7140000000e-04 -1.7575000000e-03 -5.5460000000e-04 -1.7108200000e-02  1.7726000000e-03 -9.0860000000e-04 -3.9351000000e-03  2.1329000000e-03  4.2458000000e-03 -1.0199000000e-03 -1.9664000000e-03 -4.8244000000e-03
-
-JOB 267
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8450100000e-01  6.4815800000e-01 -1.6607500000e-01 -3.9945700000e-01 -6.1991300000e-01  6.1022400000e-01 -1.6922750000e+00 -1.3427930000e+00  1.6324260000e+00 -1.4083540000e+00 -1.1367720000e+00  2.5230300000e+00 -2.4031200000e+00 -7.2583100000e-01  1.4583880000e+00
-ENERGY -1.526572090282e+02
-FORCES -1.2401300000e-02 -8.3977000000e-03  9.3939000000e-03  8.9660000000e-04 -1.6653000000e-03  1.0491000000e-03  6.4886000000e-03  5.8833000000e-03 -3.4357000000e-03  1.4680000000e-04  6.0018000000e-03 -9.1080000000e-04 -5.2440000000e-04  3.1700000000e-05 -6.2858000000e-03  5.3938000000e-03 -1.8538000000e-03  1.8930000000e-04
-
-JOB 268
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.7413000000e-02  3.2218100000e-01  9.0010200000e-01 -5.2031000000e-01 -8.0342100000e-01  4.9570000000e-03 -2.1756400000e-01  3.4423190000e+00 -2.2680000000e-03 -3.2337000000e-02  3.1011250000e+00 -8.7720200000e-01 -3.4958200000e-01  4.3812030000e+00 -1.3379600000e-01
-ENERGY -1.526566480407e+02
-FORCES -2.5621000000e-03 -1.0823000000e-03  4.7185000000e-03  4.2940000000e-04 -3.3390000000e-03 -3.6324000000e-03  2.0521000000e-03  3.1861000000e-03 -5.1000000000e-06  4.1400000000e-04  1.4231000000e-03 -4.9670000000e-03 -7.5780000000e-04  3.6803000000e-03  3.4879000000e-03  4.2440000000e-04 -3.8682000000e-03  3.9820000000e-04
-
-JOB 269
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8620900000e-01  1.4251700000e-01  8.1210900000e-01 -9.1078000000e-01 -9.4288000000e-02  2.7896600000e-01  1.4504410000e+00 -2.2413530000e+00 -1.9350360000e+00  5.9009000000e-01 -2.4889550000e+00 -1.5963310000e+00  2.0140250000e+00 -2.2141790000e+00 -1.1618170000e+00
-ENERGY -1.526537752503e+02
-FORCES -1.6801000000e-03  2.0272000000e-03  4.1853000000e-03 -1.7236000000e-03 -1.4164000000e-03 -3.7838000000e-03  4.2053000000e-03 -5.0510000000e-04 -1.6612000000e-03 -3.2028000000e-03  2.9673000000e-03  6.6468000000e-03  3.0578000000e-03 -1.7520000000e-03 -2.3792000000e-03 -6.5650000000e-04 -1.3210000000e-03 -3.0079000000e-03
-
-JOB 270
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4486400000e-01 -1.3309200000e-01 -7.5825000000e-02  1.0669200000e-01  5.1169700000e-01  8.0188200000e-01  2.3171760000e+00  2.1125120000e+00 -2.3394300000e-01  2.4384130000e+00  2.6556380000e+00 -1.0127550000e+00  1.4572710000e+00  2.3643410000e+00  1.0277200000e-01
-ENERGY -1.526518916151e+02
-FORCES -1.9747000000e-03  1.1910000000e-04  3.7227000000e-03  4.5812000000e-03  1.1113000000e-03 -2.5070000000e-04 -9.0230000000e-04  2.3040000000e-04 -4.1896000000e-03 -4.8306000000e-03  1.2064000000e-03 -4.1489000000e-03 -7.1500000000e-05 -1.8244000000e-03  3.2535000000e-03  3.1979000000e-03 -8.4290000000e-04  1.6130000000e-03
-
-JOB 271
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.5015400000e-01  2.9466100000e-01 -8.4071300000e-01 -9.1256400000e-01  2.8883800000e-01 -5.6050000000e-03  2.1992300000e-01  3.1644640000e+00  4.3298500000e-01 -1.6035100000e-01  3.9243210000e+00 -7.7440000000e-03  6.0436100000e-01  2.6449910000e+00 -2.7312200000e-01
-ENERGY -1.526526629095e+02
-FORCES -3.9614000000e-03  2.9288000000e-03 -1.5723000000e-03 -5.3250000000e-04  1.3443000000e-03  3.9572000000e-03  3.8243000000e-03 -2.4968000000e-03 -1.1925000000e-03  1.7330000000e-03 -2.0450000000e-04 -3.5097000000e-03  1.0598000000e-03 -4.2144000000e-03  1.7691000000e-03 -2.1232000000e-03  2.6426000000e-03  5.4810000000e-04
-
-JOB 272
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.0027700000e-01  3.8139000000e-01  3.6101300000e-01  1.4582400000e-01 -7.8957800000e-01  5.2109000000e-01  2.4560430000e+00  5.5628500000e-01 -9.7124300000e-01  1.6737050000e+00  2.5694200000e-01 -5.0802300000e-01  2.1483280000e+00  1.2766600000e+00 -1.5213360000e+00
-ENERGY -1.526576674691e+02
-FORCES  3.4925000000e-03  2.8804000000e-03 -3.3300000000e-05  3.1265000000e-03 -3.4451000000e-03 -1.5029000000e-03  1.2367000000e-03  5.7032000000e-03 -3.1712000000e-03 -1.6107600000e-02  9.1840000000e-04  3.0035000000e-03  6.4706000000e-03 -4.9745000000e-03  7.5150000000e-04  1.7812000000e-03 -1.0824000000e-03  9.5240000000e-04
-
-JOB 273
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.3007000000e-01 -4.6899700000e-01  8.5185000000e-02 -1.7688900000e-01  5.8670000000e-03 -9.4069500000e-01 -1.9366130000e+00 -1.3181510000e+00  1.1930400000e+00 -1.2239400000e+00 -9.2782100000e-01  6.8710400000e-01 -1.7195870000e+00 -2.2495120000e+00  1.2342430000e+00
-ENERGY -1.526577282251e+02
-FORCES -3.3190000000e-03 -4.2114000000e-03  1.8933000000e-03 -6.0170000000e-03  1.0965000000e-03 -9.6460000000e-04  5.0170000000e-04 -2.0272000000e-03  6.2959000000e-03  1.4767400000e-02  9.1140000000e-03 -8.2635000000e-03 -7.5158000000e-03 -7.4196000000e-03  2.2583000000e-03  1.5827000000e-03  3.4477000000e-03 -1.2194000000e-03
-
-JOB 274
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2082300000e-01 -1.0119300000e-01  9.4413600000e-01  2.2480100000e-01 -8.5633200000e-01 -3.6385800000e-01  1.8268010000e+00 -1.9723150000e+00 -1.6074060000e+00  2.4293420000e+00 -1.8107850000e+00 -8.8139900000e-01  2.0585350000e+00 -1.3140860000e+00 -2.2625900000e+00
-ENERGY -1.526592991056e+02
-FORCES  1.5668000000e-03 -6.1693000000e-03 -4.9170000000e-04  6.0600000000e-04 -3.7700000000e-05 -3.7158000000e-03 -2.9623000000e-03  6.4236000000e-03  5.4432000000e-03  5.8844000000e-03  4.2732000000e-03 -1.8979000000e-03 -4.2842000000e-03 -8.4230000000e-04 -2.3460000000e-03 -8.1080000000e-04 -3.6474000000e-03  3.0082000000e-03
-
-JOB 275
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3861000000e-01  3.7425100000e-01  8.4807600000e-01  3.7793200000e-01  6.0071600000e-01 -6.4229200000e-01  9.9737800000e-01 -2.3328150000e+00 -1.0796700000e+00  6.1620300000e-01 -1.4601140000e+00 -9.8307400000e-01  1.7725330000e+00 -2.3196120000e+00 -5.1825000000e-01
-ENERGY -1.526563225590e+02
-FORCES  3.1898000000e-03 -1.3850000000e-03  2.7529000000e-03 -8.6010000000e-04 -6.6380000000e-04 -4.7066000000e-03 -4.4630000000e-04 -7.2171000000e-03  2.4427000000e-03 -3.5329000000e-03  1.1193400000e-02  9.5195000000e-03  3.0980000000e-03 -1.4049000000e-03 -8.2342000000e-03 -1.4485000000e-03 -5.2270000000e-04 -1.7743000000e-03
-
-JOB 276
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9669900000e-01 -1.8780200000e-01  4.9621900000e-01 -6.1628700000e-01  3.3272800000e-01  6.5246700000e-01 -1.8300920000e+00  1.8112800000e+00 -1.2974210000e+00 -1.0918150000e+00  1.2313370000e+00 -1.4840880000e+00 -2.2731900000e+00  1.4037710000e+00 -5.5322200000e-01
-ENERGY -1.526562509075e+02
-FORCES  9.4590000000e-04  2.1564000000e-03  4.4999000000e-03 -4.0036000000e-03  1.1853000000e-03 -1.5780000000e-03  5.4660000000e-04 -1.6254000000e-03 -4.2376000000e-03  5.3997000000e-03 -7.4554000000e-03  2.6739000000e-03 -5.2881000000e-03  4.2550000000e-03 -1.4096000000e-03  2.3995000000e-03  1.4841000000e-03  5.1400000000e-05
-
-JOB 277
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7541500000e-01  1.2985900000e-01 -5.4598500000e-01 -2.7361400000e-01  2.7560300000e-01  8.7487700000e-01 -2.4912600000e+00 -9.8066300000e-01 -2.9052530000e+00 -2.5407510000e+00 -1.1212300000e-01 -3.3045270000e+00 -1.6837390000e+00 -1.3590300000e+00 -3.2530770000e+00
-ENERGY -1.526563842595e+02
-FORCES -5.2464000000e-03  8.3220000000e-04  1.2990000000e-03  4.8835000000e-03  9.4110000000e-04  2.8215000000e-03  1.1737000000e-03 -8.8530000000e-04 -3.3959000000e-03  2.3403000000e-03  3.4020000000e-04 -5.1861000000e-03  5.8920000000e-04 -3.4375000000e-03  2.7613000000e-03 -3.7402000000e-03  2.2093000000e-03  1.7003000000e-03
-
-JOB 278
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1202800000e-01 -2.3509200000e-01  5.9496200000e-01  4.2012600000e-01  7.5361700000e-01  4.1447200000e-01  2.0277940000e+00 -1.1528110000e+00  1.5973830000e+00  2.1002180000e+00 -4.4674200000e-01  2.2396090000e+00  1.2650930000e+00 -9.1881800000e-01  1.0684530000e+00
-ENERGY -1.526561808049e+02
-FORCES -1.4015000000e-03  3.9387000000e-03  2.3792000000e-03  7.0436000000e-03 -2.8900000000e-05 -1.7602000000e-03 -3.0560000000e-04 -7.5029000000e-03  5.9850000000e-04 -8.3539000000e-03  4.8346000000e-03 -6.7780000000e-03 -1.7313000000e-03 -1.1340000000e-03 -3.4484000000e-03  4.7488000000e-03 -1.0740000000e-04  9.0089000000e-03
-
-JOB 279
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.1173300000e-01 -2.8154600000e-01 -7.5535000000e-02 -3.2520000000e-03  9.0783600000e-01 -3.0340500000e-01  2.1192990000e+00 -5.9724900000e-01  1.4818630000e+00  1.2674830000e+00 -4.3129600000e-01  1.0780050000e+00  2.5971940000e+00  2.2595600000e-01  1.3809620000e+00
-ENERGY -1.526581367339e+02
-FORCES  4.7736000000e-03 -5.7840000000e-04  4.1919000000e-03  4.4748000000e-03  2.7617000000e-03 -4.5120000000e-04 -4.6130000000e-04 -4.7205000000e-03  1.8072000000e-03 -1.3000400000e-02  4.9872000000e-03 -9.8050000000e-03  6.2428000000e-03 -9.2530000000e-04  4.6775000000e-03 -2.0295000000e-03 -1.5246000000e-03 -4.2040000000e-04
-
-JOB 280
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4568800000e-01  2.1016900000e-01  8.2062300000e-01  7.0146100000e-01 -2.7462400000e-01 -5.9056400000e-01 -1.7199610000e+00 -9.4358100000e-01  1.9515970000e+00 -1.5160370000e+00 -1.8317410000e+00  2.2445450000e+00 -1.0951620000e+00 -7.7403800000e-01  1.2465340000e+00
-ENERGY -1.526579053531e+02
-FORCES  2.4996000000e-03 -4.4370000000e-04  5.8280000000e-04 -5.9614000000e-03 -5.7425000000e-03 -3.6626000000e-03 -2.6917000000e-03  2.0616000000e-03  3.7046000000e-03  5.0650000000e-03 -5.1870000000e-04 -9.7779000000e-03  4.7260000000e-04  3.1554000000e-03 -1.5517000000e-03  6.1590000000e-04  1.4879000000e-03  1.0704800000e-02
-
-JOB 281
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2536000000e-01  6.4689700000e-01 -4.7090600000e-01  2.2190300000e-01 -8.3510100000e-01 -4.1182200000e-01  1.1993500000e-01  6.3740600000e-01  3.0728510000e+00 -1.7568600000e-01  3.9623800000e-01  2.1949680000e+00  3.8554300000e-01 -1.9077900000e-01  3.4725940000e+00
-ENERGY -1.526604573021e+02
-FORCES  3.9332000000e-03 -3.4060000000e-04 -4.8260000000e-03 -2.4733000000e-03 -3.6117000000e-03  1.4376000000e-03 -6.2530000000e-04  3.8568000000e-03  1.6443000000e-03 -2.7600000000e-04 -4.7784000000e-03 -6.1570000000e-03  2.1320000000e-04  2.2932000000e-03  9.0278000000e-03 -7.7170000000e-04  2.5808000000e-03 -1.1267000000e-03
-
-JOB 282
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.1319200000e-01  3.5891700000e-01  6.4140900000e-01 -4.1415900000e-01 -7.3641900000e-01  4.4987900000e-01  1.7780270000e+00 -8.6587100000e-01 -1.8949540000e+00  1.2274060000e+00 -6.7704500000e-01 -1.1350900000e+00  1.4486290000e+00 -2.8459200000e-01 -2.5804050000e+00
-ENERGY -1.526598804853e+02
-FORCES  1.1265000000e-03 -1.2509000000e-03  1.1640000000e-03 -2.2164000000e-03 -3.8719000000e-03 -5.1272000000e-03  3.8414000000e-03  3.7460000000e-03 -2.7592000000e-03 -1.2792900000e-02  6.8950000000e-03  8.1956000000e-03  8.5935000000e-03 -3.9840000000e-03 -2.8082000000e-03  1.4479000000e-03 -1.5342000000e-03  1.3350000000e-03
-
-JOB 283
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5893500000e-01  9.1729900000e-01 -2.2256300000e-01 -8.7358200000e-01 -3.8536100000e-01  6.7698000000e-02 -1.3404050000e+00 -1.8851780000e+00 -1.3701480000e+00 -6.6503300000e-01 -2.5332360000e+00 -1.5704620000e+00 -1.5431380000e+00 -1.4811850000e+00 -2.2139020000e+00
-ENERGY -1.526546482770e+02
-FORCES -8.3282000000e-03 -6.9283000000e-03 -5.5766000000e-03 -3.1050000000e-04 -4.0825000000e-03 -8.3370000000e-04  2.5832000000e-03  5.7047000000e-03  4.0618000000e-03  9.7034000000e-03  5.0660000000e-03 -8.4550000000e-04 -3.8895000000e-03  1.6127000000e-03 -3.0930000000e-04  2.4160000000e-04 -1.3726000000e-03  3.5034000000e-03
-
-JOB 284
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4354100000e-01 -1.6122500000e-01 -4.2270100000e-01  5.3176500000e-01 -7.6291600000e-01 -2.2675300000e-01 -1.5287800000e-01  2.7504410000e+00 -2.7436800000e-01 -2.0811900000e-01  1.8056800000e+00 -1.3081800000e-01 -4.0549000000e-02  3.1200880000e+00  6.0140300000e-01
-ENERGY -1.526590433646e+02
-FORCES  2.6738000000e-03  4.0080000000e-04 -3.2063000000e-03  5.2907000000e-03  3.6446000000e-03  2.2334000000e-03 -4.1945000000e-03  2.0532000000e-03  1.0884000000e-03  3.4236000000e-03 -1.0919900000e-02  4.1943000000e-03 -6.9452000000e-03  6.2496000000e-03 -1.8357000000e-03 -2.4850000000e-04 -1.4284000000e-03 -2.4740000000e-03
-
-JOB 285
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2667600000e-01  7.9857200000e-01  3.3564000000e-02  7.9224200000e-01  2.1413600000e-01  4.9267700000e-01 -3.9624000000e-01 -2.9049720000e+00  2.0087140000e+00  1.5635700000e-01 -2.2103000000e+00  2.3669020000e+00 -6.2342600000e-01 -3.4451740000e+00  2.7655500000e+00
-ENERGY -1.526525095216e+02
-FORCES  4.1830000000e-04  4.2608000000e-03  1.1713000000e-03  2.3697000000e-03 -3.3551000000e-03 -1.4920000000e-04 -3.4810000000e-03 -1.6448000000e-03 -1.0256000000e-03  1.3204000000e-03  1.6175000000e-03  3.7667000000e-03 -1.3324000000e-03 -3.2623000000e-03 -3.9310000000e-04  7.0500000000e-04  2.3840000000e-03 -3.3699000000e-03
-
-JOB 286
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2644300000e-01  3.0008600000e-01 -3.7838100000e-01 -5.1049000000e-01 -3.0524500000e-01 -7.4997100000e-01  8.3483000000e-02 -1.7364960000e+00  2.2471800000e+00 -7.7964700000e-01 -2.0459430000e+00  1.9724420000e+00  4.7253600000e-01 -1.3730670000e+00  1.4517000000e+00
-ENERGY -1.526573340131e+02
-FORCES -7.5920000000e-04  7.6860000000e-04 -2.9098000000e-03 -3.8909000000e-03 -3.2357000000e-03  2.8706000000e-03  2.6299000000e-03  9.2650000000e-04  4.3038000000e-03 -3.6724000000e-03  7.2755000000e-03 -1.0731000000e-02  2.0451000000e-03 -3.7080000000e-04  1.4042000000e-03  3.6475000000e-03 -5.3642000000e-03  5.0621000000e-03
-
-JOB 287
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3718300000e-01 -1.1974600000e-01 -7.0419500000e-01 -1.5094200000e-01  8.9259400000e-01  3.1100600000e-01  1.5924260000e+00  2.1611900000e+00  8.3028600000e-01  9.5748100000e-01  2.6182400000e+00  1.3818140000e+00  2.0791040000e+00  1.6029340000e+00  1.4366900000e+00
-ENERGY -1.526541099629e+02
-FORCES  2.7184000000e-03  7.7726000000e-03 -6.1910000000e-04  2.8354000000e-03  1.8364000000e-03  2.7169000000e-03 -5.4767000000e-03 -4.1202000000e-03  1.2181000000e-03  2.2964000000e-03 -4.5569000000e-03  3.3858000000e-03 -1.4940000000e-04 -4.9260000000e-03 -4.6907000000e-03 -2.2241000000e-03  3.9940000000e-03 -2.0111000000e-03
-
-JOB 288
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8368800000e-01 -3.6938800000e-01  8.6373800000e-01  2.5951000000e-02  9.4593500000e-01  1.4410400000e-01 -6.3396700000e-01  2.7386470000e+00  5.7775600000e-01 -1.5771590000e+00  2.7483030000e+00  4.1488300000e-01 -5.2352000000e-01  3.2506720000e+00  1.3789200000e+00
-ENERGY -1.526609407967e+02
-FORCES -1.5735000000e-03  9.7740000000e-03  5.3693000000e-03  2.6810000000e-04  8.1120000000e-04 -2.4377000000e-03  1.5316000000e-03 -8.9155000000e-03 -2.8998000000e-03 -3.4199000000e-03  5.0530000000e-04  1.6745000000e-03  4.8110000000e-03  4.6480000000e-04  1.8624000000e-03 -1.6173000000e-03 -2.6398000000e-03 -3.5686000000e-03
-
-JOB 289
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0700000000e-03 -5.2731000000e-01  7.9884300000e-01  6.0467500000e-01  7.1734200000e-01  1.8978900000e-01 -9.4888400000e-01 -1.8858960000e+00  1.6671320000e+00 -1.6341350000e+00 -1.2890910000e+00  1.9679430000e+00 -7.7413400000e-01 -2.4498940000e+00  2.4205250000e+00
-ENERGY -1.526588577578e+02
-FORCES -7.3100000000e-04 -8.2945000000e-03  6.8898000000e-03  6.3940000000e-04  9.5866000000e-03 -3.7939000000e-03 -2.2843000000e-03 -3.5420000000e-03  1.2675000000e-03 -2.3561000000e-03  1.1376000000e-03 -3.2500000000e-05  6.0461000000e-03 -2.3527000000e-03 -8.1160000000e-04 -1.3141000000e-03  3.4650000000e-03 -3.5194000000e-03
-
-JOB 290
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.6730000000e-03  9.5513200000e-01 -6.2416000000e-02 -5.3633600000e-01 -2.8455600000e-01 -7.4000200000e-01  1.5096730000e+00 -1.5707820000e+00  2.0994310000e+00  1.6366450000e+00 -1.1034640000e+00  1.2737650000e+00  2.1559380000e+00 -1.1887540000e+00  2.6932560000e+00
-ENERGY -1.526571745442e+02
-FORCES -4.2801000000e-03  2.2061000000e-03 -2.5335000000e-03  4.7050000000e-04 -4.3843000000e-03  2.1640000000e-04  2.3430000000e-03  1.8477000000e-03  3.1878000000e-03 -3.0800000000e-04  4.8799000000e-03 -4.0417000000e-03  4.3945000000e-03 -3.8439000000e-03  5.5734000000e-03 -2.6200000000e-03 -7.0540000000e-04 -2.4023000000e-03
-
-JOB 291
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.4998600000e-01 -6.2240600000e-01  3.2613000000e-01 -1.6841400000e-01  8.0315300000e-01  4.9276100000e-01 -1.3426510000e+00 -1.8969880000e+00  1.2531320000e+00 -1.9053240000e+00 -2.3458590000e+00  6.2214400000e-01 -6.9840300000e-01 -2.5560750000e+00  1.5115520000e+00
-ENERGY -1.526588801709e+02
-FORCES -1.0210700000e-02 -1.1435800000e-02  1.0855100000e-02  2.5236000000e-03  5.7956000000e-03 -7.6019000000e-03 -8.3100000000e-05 -2.8265000000e-03 -7.3690000000e-04  7.6403000000e-03  1.8854000000e-03 -2.8708000000e-03  4.8465000000e-03  4.1666000000e-03  2.0105000000e-03 -4.7166000000e-03  2.4147000000e-03 -1.6561000000e-03
-
-JOB 292
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8056500000e-01  5.7044300000e-01 -5.9990400000e-01  5.1541200000e-01 -8.0605300000e-01  2.9334000000e-02  1.4369170000e+00 -2.1512650000e+00  8.3922600000e-01  1.4080740000e+00 -2.9879980000e+00  3.7524700000e-01  2.2069430000e+00 -1.7067050000e+00  4.8474200000e-01
-ENERGY -1.526560506606e+02
-FORCES  5.8615000000e-03 -1.0883400000e-02  3.6227000000e-03  5.7450000000e-04 -3.9437000000e-03  2.6910000000e-03  3.8430000000e-04  8.9063000000e-03 -6.1686000000e-03  1.5887000000e-03  1.1890000000e-04 -5.8840000000e-04 -5.6000000000e-05  5.8163000000e-03  1.6494000000e-03 -8.3529000000e-03 -1.4300000000e-05 -1.2061000000e-03
-
-JOB 293
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3632700000e-01 -4.7362000000e-02 -8.9491500000e-01 -3.8268000000e-02  9.3035300000e-01  2.2183400000e-01 -4.1735400000e-01  3.6733200000e-01  2.9123080000e+00 -1.9870600000e-01  5.3882100000e-01  3.8282860000e+00  4.2892200000e-01  2.4185100000e-01  2.4830030000e+00
-ENERGY -1.526556837812e+02
-FORCES -4.1414000000e-03  3.3028000000e-03 -2.0535000000e-03  1.0399000000e-03  5.6740000000e-04  3.5514000000e-03  2.8947000000e-03 -4.4407000000e-03 -1.0808000000e-03  4.4287000000e-03 -2.5367000000e-03  5.0840000000e-04 -9.3930000000e-04 -9.5670000000e-04 -4.1835000000e-03 -3.2826000000e-03  4.0638000000e-03  3.2581000000e-03
-
-JOB 294
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4183000000e-02  9.4344400000e-01  1.5554300000e-01 -3.6772400000e-01 -8.1181000000e-02 -8.8001200000e-01 -1.7618320000e+00  2.5743480000e+00  2.6717800000e-01 -1.6105330000e+00  1.9448080000e+00  9.7217400000e-01 -2.0013850000e+00  2.0365100000e+00 -4.8752500000e-01
-ENERGY -1.526554639131e+02
-FORCES  2.4560000000e-04  5.1989000000e-03 -4.4588000000e-03 -2.5028000000e-03 -5.7807000000e-03  1.8172000000e-03  6.2300000000e-05  7.1500000000e-04  3.9992000000e-03 -3.8820000000e-03 -6.2585000000e-03  7.4200000000e-04  2.9656000000e-03  3.8299000000e-03 -4.1480000000e-03  3.1112000000e-03  2.2954000000e-03  2.0485000000e-03
-
-JOB 295
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2435600000e-01 -4.9397900000e-01  3.8409000000e-01  3.8953000000e-01  8.3529600000e-01 -2.5841600000e-01  1.8131370000e+00 -6.1603900000e-01 -1.9480260000e+00  1.1382150000e+00 -6.5132000000e-01 -1.2701860000e+00  2.5395340000e+00 -1.4550100000e-01 -1.5391580000e+00
-ENERGY -1.526504655857e+02
-FORCES  6.6784000000e-03  3.6104000000e-03 -2.1406000000e-03 -1.2220000000e-03  8.5620000000e-04 -1.1587000000e-02 -5.5400000000e-05 -6.7555000000e-03  5.8000000000e-06 -9.5668000000e-03  2.9485000000e-03  9.0381000000e-03  8.8637000000e-03  2.1230000000e-04  4.0956000000e-03 -4.6980000000e-03 -8.7180000000e-04  5.8810000000e-04
-
-JOB 296
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1617600000e-01 -8.6587100000e-01  2.5793600000e-01  4.9405100000e-01 -1.5492900000e-01 -8.0507300000e-01 -1.2475100000e+00 -1.8315880000e+00  1.2385910000e+00 -1.8978990000e+00 -1.1528570000e+00  1.4190090000e+00 -9.3301900000e-01 -2.0982970000e+00  2.1024160000e+00
-ENERGY -1.526580850968e+02
-FORCES -8.3319000000e-03 -1.5832100000e-02  9.4322000000e-03  1.5892000000e-03  8.4589000000e-03 -5.2685000000e-03 -2.2426000000e-03 -2.8790000000e-03  3.3567000000e-03  6.6384000000e-03  1.2331900000e-02 -2.6709000000e-03  4.7645000000e-03 -4.0775000000e-03 -9.7070000000e-04 -2.4176000000e-03  1.9977000000e-03 -3.8787000000e-03
-
-JOB 297
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0685200000e-01 -5.6630000000e-02 -9.3286500000e-01  5.3685200000e-01  7.8849700000e-01  7.9340000000e-02 -2.8560110000e+00  1.9233080000e+00 -8.5461600000e-01 -2.9772000000e+00  1.0636770000e+00 -4.5140500000e-01 -1.9810990000e+00  1.8859160000e+00 -1.2410900000e+00
-ENERGY -1.526543696128e+02
-FORCES  3.5679000000e-03  2.2346000000e-03 -2.4636000000e-03 -9.0030000000e-04  1.7602000000e-03  4.3199000000e-03 -2.8961000000e-03 -3.4718000000e-03 -1.0683000000e-03  3.7858000000e-03 -4.6042000000e-03  2.2313000000e-03 -9.0430000000e-04  3.7687000000e-03 -2.9431000000e-03 -2.6531000000e-03  3.1250000000e-04 -7.6200000000e-05
-
-JOB 298
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1033600000e-01  7.4717900000e-01 -5.1151500000e-01 -3.5854500000e-01  1.4325500000e-01  8.7587400000e-01 -1.2437440000e+00  1.7138960000e+00 -1.9295080000e+00 -2.1294580000e+00  1.9933490000e+00 -2.1611280000e+00 -6.8117700000e-01  2.4294920000e+00 -2.2256050000e+00
-ENERGY -1.526599401161e+02
-FORCES -6.3127000000e-03  6.2553000000e-03 -4.3134000000e-03  6.8029000000e-03 -3.3541000000e-03  6.1696000000e-03  6.8880000000e-04 -1.5060000000e-04 -2.9524000000e-03 -2.9515000000e-03  1.0907000000e-03 -1.7276000000e-03  4.5932000000e-03 -4.8100000000e-05  1.3730000000e-04 -2.8207000000e-03 -3.7933000000e-03  2.6865000000e-03
-
-JOB 299
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1631900000e-01 -7.9485600000e-01  5.2048600000e-01 -6.3386900000e-01  6.1901000000e-01  3.6231000000e-01 -9.2867900000e-01 -9.1785200000e-01  2.4391360000e+00 -1.4718100000e+00 -1.2811600000e+00  1.7396730000e+00 -1.5144750000e+00 -3.3137400000e-01  2.9177990000e+00
-ENERGY -1.526501684307e+02
-FORCES -2.7162000000e-03 -6.4520000000e-04  1.4848800000e-02 -5.1383000000e-03 -3.8747000000e-03 -3.4903000000e-03 -1.5330000000e-04 -7.1810000000e-04 -3.1107000000e-03 -2.5050000000e-03  3.8581000000e-03 -3.7180000000e-03  7.8089000000e-03  3.6111000000e-03 -1.2047000000e-03  2.7040000000e-03 -2.2311000000e-03 -3.3252000000e-03
-
-JOB 300
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8303100000e-01 -7.3555600000e-01 -5.8454200000e-01 -2.2739400000e-01  7.7596700000e-01 -5.1224900000e-01 -1.1994650000e+00 -1.5023660000e+00 -2.1565760000e+00 -8.3621600000e-01 -2.2078520000e+00 -2.6918990000e+00 -9.2766200000e-01 -6.9944200000e-01 -2.6011750000e+00
-ENERGY -1.526574572921e+02
-FORCES -5.9015000000e-03 -4.8581000000e-03 -7.4385000000e-03  5.2159000000e-03  6.4134000000e-03  3.8447000000e-03  1.0031000000e-03 -2.7056000000e-03  1.9590000000e-04  7.4430000000e-04  3.2500000000e-04 -4.9592000000e-03 -1.3898000000e-03  4.1116000000e-03  2.9914000000e-03  3.2810000000e-04 -3.2863000000e-03  5.3658000000e-03
-
-JOB 301
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6897400000e-01  7.6868400000e-01 -3.2468500000e-01 -7.4791100000e-01 -9.1867000000e-02 -5.9027200000e-01  2.1634440000e+00  1.9701040000e+00 -6.4947700000e-01  2.3045000000e+00  2.9156450000e+00 -6.0164300000e-01  2.7447420000e+00  1.6066460000e+00  1.8522000000e-02
-ENERGY -1.526615625737e+02
-FORCES  2.5497000000e-03  5.5069000000e-03 -4.5805000000e-03 -6.4214000000e-03 -7.2864000000e-03  3.1818000000e-03  2.5299000000e-03  9.3070000000e-04  1.7265000000e-03  4.5389000000e-03  2.5996000000e-03  2.9660000000e-03  8.8000000000e-06 -4.4123000000e-03 -5.1000000000e-06 -3.2059000000e-03  2.6614000000e-03 -3.2887000000e-03
-
-JOB 302
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9025200000e-01  2.8732800000e-01 -8.2545600000e-01 -5.5806800000e-01  3.8451700000e-01  6.7597300000e-01 -1.6675410000e+00  1.5934640000e+00  1.4627330000e+00 -2.5753040000e+00  1.7716840000e+00  1.2168930000e+00 -1.4044180000e+00  2.3558540000e+00  1.9782510000e+00
-ENERGY -1.526594962420e+02
-FORCES -1.0007400000e-02  9.9319000000e-03  5.3809000000e-03  9.2490000000e-04 -1.2650000000e-03  1.4114000000e-03  4.7706000000e-03 -5.4728000000e-03 -2.5997000000e-03  2.4678000000e-03 -4.6540000000e-04 -2.7258000000e-03  4.6812000000e-03  4.3710000000e-04  1.1530000000e-03 -2.8371000000e-03 -3.1657000000e-03 -2.6198000000e-03
-
-JOB 303
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3640500000e-01  6.0911400000e-01 -5.4032000000e-02  6.9104000000e-01  4.1234200000e-01 -5.1833400000e-01 -3.0610620000e+00 -1.3480100000e-01  7.3716500000e-01 -2.4236080000e+00 -5.4225300000e-01  1.3235660000e+00 -3.3738460000e+00  6.3153600000e-01  1.2179190000e+00
-ENERGY -1.526580503129e+02
-FORCES -1.9242000000e-03  3.3764000000e-03 -3.4900000000e-03  6.6647000000e-03 -1.2264000000e-03  1.6830000000e-03 -3.2889000000e-03 -1.1010000000e-03  1.8333000000e-03 -1.5320000000e-04 -1.9969000000e-03  5.6561000000e-03 -3.8941000000e-03  3.5963000000e-03 -2.7854000000e-03  2.5957000000e-03 -2.6484000000e-03 -2.8968000000e-03
-
-JOB 304
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.2889000000e-02 -5.1903200000e-01  8.0095200000e-01 -9.3986200000e-01  1.4727200000e-01 -1.0583800000e-01 -1.6272520000e+00 -6.9468700000e-01  2.2703720000e+00 -1.2739300000e+00 -1.3869830000e+00  2.8290510000e+00 -2.4665550000e+00 -1.0382920000e+00  1.9642060000e+00
-ENERGY -1.526562060961e+02
-FORCES -8.9253000000e-03 -1.8516000000e-03  1.0174000000e-02  5.3417000000e-03 -9.8100000000e-04 -3.2069000000e-03  1.6833000000e-03  1.6000000000e-04 -3.2743000000e-03 -2.2537000000e-03 -2.9837000000e-03  7.8900000000e-05 -2.7750000000e-04  3.4744000000e-03 -4.2887000000e-03  4.4315000000e-03  2.1819000000e-03  5.1700000000e-04
-
-JOB 305
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5767400000e-01  8.3840100000e-01 -4.3411400000e-01  7.9779500000e-01  1.4012600000e-01  5.1001900000e-01 -2.5243340000e+00  9.2323800000e-01  1.1618490000e+00 -2.7582680000e+00  1.7608650000e+00  7.6199100000e-01 -1.5739280000e+00  9.6498300000e-01  1.2677610000e+00
-ENERGY -1.526535525676e+02
-FORCES  1.7276000000e-03  1.8325000000e-03 -3.4771000000e-03 -2.0710000000e-04 -2.7155000000e-03  4.9867000000e-03 -5.8979000000e-03  2.8470000000e-04 -1.0367000000e-03  6.6493000000e-03 -9.6530000000e-04 -2.1700000000e-03  2.4300000000e-03 -3.5887000000e-03  4.1630000000e-04 -4.7019000000e-03  5.1523000000e-03  1.2807000000e-03
-
-JOB 306
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6467500000e-01 -4.8975000000e-02 -4.0764000000e-01  2.4408800000e-01  9.2326000000e-01 -6.5150000000e-02  3.0622850000e+00  7.3437400000e-01 -1.1306900000e+00  4.0181510000e+00  7.3271700000e-01 -1.0801980000e+00  2.8125540000e+00 -1.7771400000e-01 -9.8249400000e-01
-ENERGY -1.526580591955e+02
-FORCES -2.3829000000e-03  4.8656000000e-03 -1.8888000000e-03  3.4268000000e-03  2.7900000000e-04  1.6344000000e-03 -3.0000000000e-03 -4.5172000000e-03  9.3080000000e-04  2.3503000000e-03 -4.7436000000e-03  8.7770000000e-04 -3.8523000000e-03 -2.9460000000e-04 -1.8760000000e-04  3.4581000000e-03  4.4107000000e-03 -1.3665000000e-03
-
-JOB 307
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2957800000e-01 -6.6518600000e-01 -6.4888600000e-01  7.1223000000e-01 -3.9277400000e-01  5.0466800000e-01 -1.8898090000e+00  1.8926580000e+00 -1.7553660000e+00 -2.3859930000e+00  2.6616160000e+00 -2.0359690000e+00 -2.2602230000e+00  1.6662050000e+00 -9.0228700000e-01
-ENERGY -1.526552420105e+02
-FORCES  2.7874000000e-03 -3.9838000000e-03 -2.1548000000e-03  7.6280000000e-04  1.9171000000e-03  4.0491000000e-03 -2.8663000000e-03  1.7509000000e-03 -2.2613000000e-03 -2.1831000000e-03  2.0407000000e-03  4.0960000000e-03  2.2523000000e-03 -2.9995000000e-03  1.2856000000e-03 -7.5310000000e-04  1.2746000000e-03 -5.0145000000e-03
-
-JOB 308
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8641400000e-01 -5.7011700000e-01  7.4595400000e-01 -7.5724100000e-01 -1.0350000000e-01 -5.7628600000e-01 -1.5755700000e-01  2.7006070000e+00  3.5382800000e-01 -2.2681400000e-01  1.7480390000e+00  2.9018500000e-01  4.4028500000e-01  2.9454830000e+00 -3.5246700000e-01
-ENERGY -1.526596352661e+02
-FORCES -1.7276000000e-03  5.4470000000e-04  1.7461000000e-03  4.8800000000e-05  3.3790000000e-03 -4.4835000000e-03  4.1647000000e-03  3.2902000000e-03  4.5130000000e-03  4.5630000000e-03 -1.5398000000e-02 -2.8270000000e-03 -4.9303000000e-03  8.8493000000e-03 -3.5830000000e-04 -2.1185000000e-03 -6.6520000000e-04  1.4097000000e-03
-
-JOB 309
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6349000000e-01  7.9008000000e-01  3.9985000000e-01  7.8849600000e-01 -1.8600000000e-01  5.0981300000e-01  2.7534180000e+00  8.5980600000e-01  1.8731830000e+00  3.6920570000e+00  1.0449480000e+00  1.8429840000e+00  2.5503350000e+00  8.0092200000e-01  2.8067360000e+00
-ENERGY -1.526583917101e+02
-FORCES  4.5444000000e-03  3.6567000000e-03  4.2019000000e-03  2.8900000000e-05 -3.0098000000e-03 -1.4780000000e-03 -6.3143000000e-03 -1.6458000000e-03 -2.9038000000e-03  5.3656000000e-03  1.5049000000e-03  3.6813000000e-03 -4.0329000000e-03 -6.3540000000e-04  9.6650000000e-04  4.0840000000e-04  1.2930000000e-04 -4.4679000000e-03
-
-JOB 310
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.9999100000e-01  7.6706700000e-01 -5.3651000000e-01 -9.4819300000e-01 -1.0604900000e-01 -7.6907000000e-02  1.8301060000e+00 -1.7279590000e+00 -2.0361810000e+00  1.8450070000e+00 -9.6088000000e-01 -2.6085450000e+00  9.9072900000e-01 -2.1491930000e+00 -2.2212230000e+00
-ENERGY -1.526513509261e+02
-FORCES -1.3071000000e-03  2.5852000000e-03 -2.4220000000e-03 -1.0668000000e-03 -3.0664000000e-03  1.6298000000e-03  4.3044000000e-03 -3.9950000000e-04 -3.6300000000e-04 -5.5926000000e-03  2.4976000000e-03 -5.5500000000e-05  1.1170000000e-04 -2.4377000000e-03  1.9718000000e-03  3.5505000000e-03  8.2080000000e-04 -7.6110000000e-04
-
-JOB 311
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8823500000e-01 -1.8642200000e-01 -3.0416600000e-01 -1.9710000000e-03  9.4154300000e-01  1.7240800000e-01  4.4890300000e-01 -2.8823770000e+00 -7.0184100000e-01  7.1862200000e-01 -3.1906580000e+00  1.6328700000e-01 -4.2942700000e-01 -2.5266700000e+00 -5.6678100000e-01
-ENERGY -1.526587783090e+02
-FORCES  4.5739000000e-03  1.4927000000e-03 -1.7859000000e-03 -3.8126000000e-03  3.8246000000e-03  2.6591000000e-03  7.3290000000e-04 -4.2034000000e-03 -8.4160000000e-04 -5.0012000000e-03  2.0297000000e-03  4.9166000000e-03 -2.0550000000e-04  1.2427000000e-03 -3.5159000000e-03  3.7125000000e-03 -4.3864000000e-03 -1.4322000000e-03
-
-JOB 312
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0489700000e-01 -3.5949700000e-01  8.3308600000e-01  3.1468000000e-02  9.4884700000e-01  1.2219200000e-01  2.8096250000e+00 -8.9475800000e-01  2.4862800000e-01  3.5671370000e+00 -1.2255010000e+00  7.3134500000e-01  2.9492410000e+00 -1.1924570000e+00 -6.5032400000e-01
-ENERGY -1.526556890391e+02
-FORCES  6.9160000000e-03  8.9820000000e-04  4.7188000000e-03 -5.1821000000e-03  1.8277000000e-03 -1.6626000000e-03 -6.9600000000e-04 -3.1679000000e-03 -6.3370000000e-04  1.8523000000e-03 -2.0776000000e-03 -5.1689000000e-03 -4.2541000000e-03  1.7505000000e-03 -1.5986000000e-03  1.3641000000e-03  7.6910000000e-04  4.3450000000e-03
-
-JOB 313
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4860400000e-01  9.2068800000e-01  2.1559600000e-01 -7.3592900000e-01  1.2578000000e-02 -6.1195000000e-01 -9.6977100000e-01 -3.4978000000e-02  2.8171720000e+00 -6.8454300000e-01 -2.3279100000e-01  1.9251250000e+00 -1.1637920000e+00  9.0227000000e-01  2.8048130000e+00
-ENERGY -1.526589357199e+02
-FORCES -1.0014000000e-03  4.0162000000e-03 -4.5382000000e-03 -2.7815000000e-03 -5.3965000000e-03  1.3155000000e-03  3.5728000000e-03  4.9740000000e-04  3.9916000000e-03  2.3594000000e-03  8.4890000000e-04 -8.9934000000e-03 -3.3399000000e-03  2.6800000000e-03  9.1041000000e-03  1.1907000000e-03 -2.6459000000e-03 -8.7970000000e-04
-
-JOB 314
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4744000000e-01  5.1072500000e-01 -6.7467700000e-01 -3.7659500000e-01 -7.4292800000e-01 -4.7166300000e-01  1.1385520000e+00 -3.2629160000e+00 -2.2807200000e-01  1.5244540000e+00 -4.0634110000e+00  1.2762400000e-01  1.9470900000e-01 -3.3859680000e+00 -1.2682600000e-01
-ENERGY -1.526533922250e+02
-FORCES  2.6358000000e-03 -2.4437000000e-03 -5.1118000000e-03 -2.2209000000e-03 -1.2451000000e-03  2.7510000000e-03 -7.5110000000e-04  2.6622000000e-03  2.1989000000e-03 -1.4578000000e-03 -4.1613000000e-03  3.4427000000e-03 -1.5646000000e-03  3.3490000000e-03 -1.5980000000e-03  3.3585000000e-03  1.8388000000e-03 -1.6828000000e-03
-
-JOB 315
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2371000000e-02 -4.6842700000e-01 -8.3412200000e-01  5.8996200000e-01  7.3637400000e-01 -1.6103000000e-01  1.9566420000e+00  9.2914200000e-01 -1.1446260000e+00  2.1025150000e+00  2.1055100000e-01 -1.7599150000e+00  2.0923380000e+00  1.7214000000e+00 -1.6643820000e+00
-ENERGY -1.526485127626e+02
-FORCES  2.3043200000e-02  1.1124700000e-02 -1.6090200000e-02  7.5590000000e-04 -1.3715000000e-03  3.9850000000e-04 -2.2632000000e-03  3.1197000000e-03  3.0958000000e-03 -1.6523700000e-02 -1.2280400000e-02  7.5657000000e-03 -1.7617000000e-03  4.3464000000e-03  1.6636000000e-03 -3.2505000000e-03 -4.9389000000e-03  3.3665000000e-03
-
-JOB 316
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0893400000e-01 -7.4466500000e-01 -3.2045700000e-01 -8.3538000000e-01 -3.7968300000e-01  2.7242100000e-01  2.1828280000e+00 -1.6839900000e+00 -8.9632400000e-01  2.6451800000e+00 -1.1098760000e+00 -2.8570500000e-01  2.1797130000e+00 -1.2020200000e+00 -1.7233230000e+00
-ENERGY -1.526611177249e+02
-FORCES  3.1566000000e-03 -8.2718000000e-03 -1.8306000000e-03 -5.5405000000e-03  8.6904000000e-03  2.2909000000e-03  3.3039000000e-03  3.8450000000e-04 -1.2875000000e-03  5.4082000000e-03  4.3870000000e-03 -1.1344000000e-03 -4.3695000000e-03 -2.9992000000e-03 -3.4141000000e-03 -1.9587000000e-03 -2.1910000000e-03  5.3758000000e-03
-
-JOB 317
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.1967800000e-01  4.0208300000e-01 -2.8755700000e-01  2.3852300000e-01 -9.0067400000e-01  2.1937400000e-01  2.4925600000e-01 -2.7690680000e+00  3.5573000000e-01  4.6390600000e-01 -3.2273080000e+00 -4.5678000000e-01  4.0844700000e-01 -3.4144400000e+00  1.0444860000e+00
-ENERGY -1.526609442865e+02
-FORCES  2.9196000000e-03 -9.7975000000e-03  2.0496000000e-03 -2.1935000000e-03 -2.3865000000e-03  6.2240000000e-04  4.6600000000e-05  9.7267000000e-03 -2.5142000000e-03 -4.1200000000e-05 -1.1675000000e-03 -4.8550000000e-04 -2.1480000000e-04  1.7108000000e-03  4.7122000000e-03 -5.1660000000e-04  1.9140000000e-03 -4.3845000000e-03
-
-JOB 318
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.2132500000e-01 -7.8759000000e-02  2.4736500000e-01  4.2324200000e-01  3.8140500000e-01  7.6917400000e-01  7.3050000000e-02 -1.3970310000e+00  2.8110470000e+00  5.9608800000e-01 -1.7707770000e+00  2.1018380000e+00  7.0437400000e-01 -1.2241940000e+00  3.5094660000e+00
-ENERGY -1.526579587674e+02
-FORCES -4.0131000000e-03  1.5478000000e-03  7.1749000000e-03  3.3179000000e-03  4.4740000000e-04 -2.9018000000e-03  7.1290000000e-04 -1.2789000000e-03 -4.5103000000e-03  4.1245000000e-03 -3.1624000000e-03 -8.6200000000e-04 -1.7839000000e-03  2.2506000000e-03  4.9674000000e-03 -2.3582000000e-03  1.9550000000e-04 -3.8681000000e-03
-
-JOB 319
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4416900000e-01 -2.0321000000e-01  9.2420400000e-01 -5.4138700000e-01 -6.3264800000e-01 -4.7211100000e-01 -6.6826700000e-01  1.0508100000e-01  2.9360920000e+00 -2.8441100000e-01 -3.4626400000e-01  3.6878720000e+00 -1.6101220000e+00 -4.1638000000e-02  3.0233510000e+00
-ENERGY -1.526603361250e+02
-FORCES -2.4000000000e-03 -1.8004000000e-03  7.0042000000e-03  1.2030000000e-03 -1.4330000000e-03 -1.0317900000e-02  1.2435000000e-03  2.0968000000e-03  2.3092000000e-03 -2.5013000000e-03 -5.3540000000e-04  5.4131000000e-03 -2.5108000000e-03  1.9850000000e-03 -3.6090000000e-03  4.9655000000e-03 -3.1310000000e-04 -7.9950000000e-04
-
-JOB 320
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1919100000e-01  7.5923300000e-01  5.7060500000e-01 -6.5465000000e-01  2.8075800000e-01 -6.3940600000e-01 -2.4530000000e-01 -4.4691700000e-01  3.3144060000e+00  6.5330000000e-01 -7.6654000000e-01  3.2332220000e+00 -3.1233500000e-01 -1.4692500000e-01  4.2209070000e+00
-ENERGY -1.526550609732e+02
-FORCES -3.6657000000e-03  3.9528000000e-03  1.8450000000e-03  1.0849000000e-03 -2.2228000000e-03 -4.3200000000e-03  2.6052000000e-03 -9.4160000000e-04  2.2726000000e-03  3.5576000000e-03 -2.2043000000e-03  3.3047000000e-03 -3.6874000000e-03  2.4085000000e-03  1.1512000000e-03  1.0540000000e-04 -9.9270000000e-04 -4.2535000000e-03
-
-JOB 321
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4090000000e-02 -8.6323000000e-02 -9.5228000000e-01 -3.2704100000e-01 -8.3603200000e-01  3.3215400000e-01  2.6133220000e+00 -1.3044800000e-01 -2.7509000000e-02  1.6757430000e+00 -1.6653100000e-01  1.6189800000e-01  3.0250490000e+00  1.1739000000e-02  8.2483800000e-01
-ENERGY -1.526583170621e+02
-FORCES  6.4910000000e-03 -1.5935000000e-03 -4.3863000000e-03  1.2205000000e-03 -6.9480000000e-04  6.5322000000e-03  4.9320000000e-03  4.4560000000e-03 -1.6708000000e-03 -1.9081700000e-02  2.8713000000e-03  2.5402000000e-03  9.9288000000e-03 -4.2492000000e-03 -1.4469000000e-03 -3.4906000000e-03 -7.8990000000e-04 -1.5684000000e-03
-
-JOB 322
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0575800000e-01 -6.9040300000e-01 -6.5451500000e-01  5.9949700000e-01  6.2597300000e-01 -4.0619300000e-01  1.8816820000e+00 -1.0749100000e+00  1.9486600000e+00  1.0086800000e+00 -8.8011200000e-01  2.2894720000e+00  2.3182470000e+00 -2.2410100000e-01  1.9066140000e+00
-ENERGY -1.526535605683e+02
-FORCES  6.2444000000e-03 -3.8433000000e-03 -2.5566000000e-03 -5.1970000000e-04  3.3780000000e-03  2.0279000000e-03 -2.2263000000e-03 -1.7339000000e-03  2.1527000000e-03 -7.5895000000e-03  6.9910000000e-03 -4.0827000000e-03  4.3469000000e-03 -2.0656000000e-03  2.4269000000e-03 -2.5570000000e-04 -2.7263000000e-03  3.1800000000e-05
-
-JOB 323
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2371800000e-01 -5.8831200000e-01 -7.2116000000e-01  6.2839000000e-01  6.1508900000e-01 -3.7818400000e-01 -2.5734000000e-02 -2.8271610000e+00  1.2203180000e+00  5.1511800000e-01 -3.0422370000e+00  1.9802220000e+00 -8.2299400000e-01 -3.3433350000e+00  1.3393690000e+00
-ENERGY -1.526528494484e+02
-FORCES  1.3480000000e-03 -3.5526000000e-03 -3.8415000000e-03  2.3300000000e-05  4.3871000000e-03  1.2149000000e-03 -2.1291000000e-03 -2.7603000000e-03  2.1607000000e-03 -2.5000000000e-04 -7.2240000000e-04  4.9435000000e-03 -2.2060000000e-03  1.7070000000e-04 -3.1580000000e-03  3.2137000000e-03  2.4776000000e-03 -1.3196000000e-03
-
-JOB 324
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.5899000000e-02  6.5710000000e-03 -9.5607600000e-01 -7.3764900000e-01  5.4225100000e-01  2.7940900000e-01  1.6389850000e+00 -1.8599200000e+00 -1.5160190000e+00  8.2402500000e-01 -1.8240880000e+00 -2.0168070000e+00  2.2317370000e+00 -2.3794740000e+00 -2.0591030000e+00
-ENERGY -1.526508620408e+02
-FORCES -7.4880000000e-04  1.8808000000e-03 -3.5203000000e-03 -2.0085000000e-03 -1.6196000000e-03  2.5312000000e-03  3.6756000000e-03 -2.8323000000e-03 -1.0975000000e-03 -1.2820000000e-03 -2.9503000000e-03 -3.1063000000e-03  2.9720000000e-03  3.1980000000e-03  2.0775000000e-03 -2.6083000000e-03  2.3234000000e-03  3.1155000000e-03
-
-JOB 325
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8618600000e-01 -5.0792100000e-01  2.0039800000e-01  5.1677100000e-01 -2.9945000000e-02  8.0516000000e-01  1.7620970000e+00  2.1732580000e+00  7.0529100000e-01  1.5118670000e+00  2.1499830000e+00 -2.1832900000e-01  2.2568500000e+00  2.9872520000e+00  7.9945100000e-01
-ENERGY -1.526590091067e+02
-FORCES  4.1440000000e-04 -2.1420000000e-04  5.6581000000e-03  3.1533000000e-03  2.0097000000e-03 -8.2900000000e-05 -3.8520000000e-03 -3.0359000000e-03 -4.3054000000e-03 -9.8540000000e-04  2.0255000000e-03 -4.7349000000e-03  3.7908000000e-03  2.2250000000e-03  4.4622000000e-03 -2.5211000000e-03 -3.0101000000e-03 -9.9710000000e-04
-
-JOB 326
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.1494700000e-01  8.9305600000e-01 -2.6922100000e-01 -4.9235100000e-01 -3.6097100000e-01 -7.3724000000e-01 -7.4277500000e-01  2.3026630000e+00 -2.4540860000e+00 -8.7752400000e-01  3.0045310000e+00 -3.0908400000e+00  2.8403000000e-02  1.8339420000e+00 -2.7731730000e+00
-ENERGY -1.526564211577e+02
-FORCES -3.5608000000e-03  3.9615000000e-03 -3.9044000000e-03  1.7006000000e-03 -5.1361000000e-03  1.2076000000e-03  3.1720000000e-03  1.7080000000e-04  2.6550000000e-03  1.4703000000e-03  2.9211000000e-03 -5.6472000000e-03  7.9410000000e-04 -3.3100000000e-03  2.4822000000e-03 -3.5762000000e-03  1.3928000000e-03  3.2068000000e-03
-
-JOB 327
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7693700000e-01  5.9053400000e-01  3.3054300000e-01 -8.9243000000e-02  2.3086200000e-01 -9.2464600000e-01  4.2371500000e-01  2.8033680000e+00 -9.7248700000e-01  8.4440000000e-03  3.5023440000e+00 -1.4776750000e+00 -1.8256000000e-02  2.8255890000e+00 -1.2372300000e-01
-ENERGY -1.526575357169e+02
-FORCES  4.2672000000e-03  6.2325000000e-03 -6.0235000000e-03 -3.6827000000e-03 -1.2919000000e-03  1.9277000000e-03 -1.4281000000e-03 -3.9949000000e-03  3.3816000000e-03 -4.1887000000e-03  3.1275000000e-03  1.9682000000e-03  1.2065000000e-03 -3.4724000000e-03  2.2685000000e-03  3.8258000000e-03 -6.0080000000e-04 -3.5225000000e-03
-
-JOB 328
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0863300000e-01 -5.3285000000e-02 -6.4127300000e-01  7.5871100000e-01 -3.7253000000e-01 -4.4923400000e-01 -2.3503760000e+00  2.1363550000e+00  8.7379700000e-01 -2.0200380000e+00  1.5951500000e+00  1.5908800000e+00 -1.7913220000e+00  2.9132830000e+00  8.8228300000e-01
-ENERGY -1.526571202780e+02
-FORCES -1.0546000000e-03 -1.2788000000e-03 -5.0372000000e-03  4.3711000000e-03 -1.5452000000e-03  2.2795000000e-03 -3.2027000000e-03  1.9326000000e-03  1.6120000000e-03  6.0226000000e-03  2.0970000000e-04  3.3152000000e-03 -3.2122000000e-03  2.8999000000e-03 -2.2162000000e-03 -2.9243000000e-03 -2.2183000000e-03  4.6700000000e-05
-
-JOB 329
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6101700000e-01 -5.0297400000e-01 -7.9832500000e-01  7.6020400000e-01 -4.2200100000e-01  4.0029600000e-01  4.3044200000e-01 -2.1243090000e+00 -2.1850720000e+00  9.6921500000e-01 -1.3545550000e+00 -2.3679220000e+00  8.6664900000e-01 -2.5531640000e+00 -1.4488400000e+00
-ENERGY -1.526560244308e+02
-FORCES  4.2090000000e-04 -6.9553000000e-03 -3.4940000000e-03  3.4972000000e-03  6.0627000000e-03  3.9453000000e-03 -2.0880000000e-03  1.0059000000e-03 -2.3008000000e-03  6.0612000000e-03 -1.4625000000e-03  4.6520000000e-04 -5.2813000000e-03 -2.5521000000e-03  3.9095000000e-03 -2.6101000000e-03  3.9012000000e-03 -2.5253000000e-03
-
-JOB 330
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2236200000e-01 -1.7820200000e-01  7.0508200000e-01  3.2666400000e-01 -8.6269600000e-01 -2.5549700000e-01 -2.3068510000e+00  4.2420000000e-03  1.4221980000e+00 -3.1923810000e+00 -2.5099000000e-01  1.1635000000e+00 -2.2546470000e+00 -2.1884800000e-01  2.3515720000e+00
-ENERGY -1.526579618332e+02
-FORCES -1.1153000000e-02 -1.8878000000e-03  5.7775000000e-03  9.4295000000e-03 -9.6320000000e-04 -3.8830000000e-04 -2.2871000000e-03  2.3014000000e-03  1.4726000000e-03 -1.0509000000e-03 -6.8030000000e-04 -4.0769000000e-03  3.5696000000e-03  1.1523000000e-03  3.2096000000e-03  1.4918000000e-03  7.7600000000e-05 -5.9944000000e-03
-
-JOB 331
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6818300000e-01 -5.2809200000e-01  4.3690000000e-01 -1.5016500000e-01  8.8959900000e-01  3.1983700000e-01 -1.2316680000e+00 -1.6458310000e+00  1.6898040000e+00 -7.2400100000e-01 -2.3822490000e+00  1.3489300000e+00 -6.9737000000e-01 -1.2954840000e+00  2.4025560000e+00
-ENERGY -1.526583152086e+02
-FORCES -1.1381000000e-02 -8.2190000000e-03  1.0622000000e-02  7.2670000000e-03  3.9926000000e-03 -5.8465000000e-03  2.1650000000e-04 -3.4897000000e-03  8.3390000000e-04  9.7115000000e-03  2.7134000000e-03 -1.6665000000e-03 -2.7332000000e-03  5.7899000000e-03  5.0210000000e-04 -3.0808000000e-03 -7.8720000000e-04 -4.4449000000e-03
-
-JOB 332
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2076900000e-01  5.2452400000e-01  6.8122000000e-01  7.0260100000e-01 -1.9701500000e-01 -6.1949100000e-01  1.3259250000e+00 -1.3996310000e+00 -1.8505180000e+00  2.2419610000e+00 -1.1291630000e+00 -1.9134150000e+00  9.7628200000e-01 -1.2697700000e+00 -2.7320620000e+00
-ENERGY -1.526569149306e+02
-FORCES  7.0204000000e-03 -7.5811000000e-03 -8.8849000000e-03  9.4340000000e-04 -2.7523000000e-03 -3.8530000000e-03 -1.2607000000e-03  8.2893000000e-03  6.5728000000e-03 -2.9313000000e-03  9.7890000000e-04 -1.2571000000e-03 -6.5195000000e-03  1.3560000000e-03  2.5593000000e-03  2.7478000000e-03 -2.9090000000e-04  4.8629000000e-03
-
-JOB 333
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2713200000e-01  8.0198100000e-01 -3.0102500000e-01  2.8477300000e-01 -4.3619000000e-01 -8.0304100000e-01 -1.2389990000e+00 -1.9384920000e+00 -1.7518910000e+00 -1.4893040000e+00 -1.0146220000e+00 -1.7584970000e+00 -8.3574000000e-01 -2.0717480000e+00 -8.9407100000e-01
-ENERGY -1.526537500731e+02
-FORCES -4.2810000000e-04  8.7060000000e-04 -6.3253000000e-03  7.0590000000e-04 -4.8790000000e-03  2.1340000000e-04 -5.0210000000e-03 -6.2220000000e-04  4.8094000000e-03 -1.7632000000e-03  5.2172000000e-03  9.3512000000e-03  3.7094000000e-03 -1.0453000000e-03 -2.2387000000e-03  2.7970000000e-03  4.5860000000e-04 -5.8100000000e-03
-
-JOB 334
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.8121100000e-01 -7.1847100000e-01 -5.0468700000e-01 -5.6935700000e-01  7.4814700000e-01 -1.7983600000e-01 -4.4725900000e-01 -3.4166070000e+00  1.2786030000e+00 -1.2126490000e+00 -3.6803350000e+00  7.6786100000e-01 -3.7077400000e-01 -4.0854150000e+00  1.9591010000e+00
-ENERGY -1.526532902212e+02
-FORCES -3.6361000000e-03 -1.3782000000e-03 -2.0421000000e-03  8.6370000000e-04  3.9658000000e-03  6.6390000000e-04  2.2544000000e-03 -3.0722000000e-03  8.5920000000e-04 -2.3335000000e-03 -4.1268000000e-03  2.1185000000e-03  3.3419000000e-03  1.9365000000e-03  1.3329000000e-03 -4.9040000000e-04  2.6749000000e-03 -2.9324000000e-03
-
-JOB 335
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6767800000e-01  3.3183600000e-01  6.0026900000e-01  3.8384000000e-01 -7.9488600000e-01 -3.7021000000e-01  2.2522560000e+00  6.6500200000e-01 -1.3018450000e+00  2.5169410000e+00 -1.4179900000e-01 -8.5997800000e-01  1.3017310000e+00  6.9713300000e-01 -1.1936730000e+00
-ENERGY -1.526512275727e+02
-FORCES  1.0477700000e-02 -9.4950000000e-04  9.8200000000e-05 -1.8433000000e-03 -1.3434000000e-03 -6.3192000000e-03  1.9808000000e-03  6.9155000000e-03 -1.0885000000e-03 -1.3888400000e-02 -4.4416000000e-03  5.9862000000e-03 -3.3810000000e-03  1.7921000000e-03  5.2630000000e-04  6.6543000000e-03 -1.9731000000e-03  7.9710000000e-04
-
-JOB 336
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4795200000e-01 -8.1811700000e-01  3.5474800000e-01  3.6751000000e-01  6.8125200000e-01  5.6308400000e-01 -2.9549680000e+00 -1.9774590000e+00 -9.6807900000e-01 -3.4995210000e+00 -2.6621040000e+00 -1.3566080000e+00 -2.9045370000e+00 -2.2084200000e+00 -4.0530000000e-02
-ENERGY -1.526527604098e+02
-FORCES  3.0909000000e-03 -7.2050000000e-04  3.0040000000e-03 -1.5866000000e-03  3.4014000000e-03 -8.3680000000e-04 -1.7668000000e-03 -2.8699000000e-03 -2.4185000000e-03 -2.0068000000e-03 -2.9778000000e-03  2.5272000000e-03  2.4534000000e-03  3.0123000000e-03  1.5096000000e-03 -1.8410000000e-04  1.5440000000e-04 -3.7854000000e-03
-
-JOB 337
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0803000000e-01 -2.9361900000e-01 -7.5625700000e-01  8.9259800000e-01 -2.9409400000e-01 -1.8168400000e-01  6.8409400000e-01  2.1454640000e+00  1.4273910000e+00  2.7946400000e-01  2.6530510000e+00  7.2392700000e-01  5.1935000000e-01  1.2328650000e+00  1.1902120000e+00
-ENERGY -1.526561750962e+02
-FORCES  1.0300000000e-03  5.9762000000e-03  1.2323000000e-03  3.9562000000e-03  1.2331000000e-03  2.5327000000e-03 -5.0958000000e-03  3.1393000000e-03  2.6401000000e-03 -8.4358000000e-03 -1.0438900000e-02 -1.1286700000e-02  1.4558000000e-03  1.0025000000e-03  2.0797000000e-03  7.0896000000e-03 -9.1220000000e-04  2.8018000000e-03
-
-JOB 338
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6640800000e-01  3.3745000000e-01  8.8015200000e-01  7.5041100000e-01  5.0523000000e-01 -3.1282200000e-01  2.7469500000e-01 -2.6216620000e+00  2.3077800000e-01 -2.7549000000e-01 -2.8852760000e+00 -5.0681000000e-01  3.2707700000e-01 -1.6683430000e+00  1.6243100000e-01
-ENERGY -1.526594443738e+02
-FORCES  1.1002000000e-03 -5.0831000000e-03  2.6084000000e-03  2.3006000000e-03 -2.2445000000e-03 -5.1912000000e-03 -3.8853000000e-03 -3.6631000000e-03  2.5872000000e-03 -3.7830000000e-03  1.8668600000e-02 -4.3298000000e-03  1.4986000000e-03  7.5500000000e-04  1.6146000000e-03  2.7689000000e-03 -8.4328000000e-03  2.7109000000e-03
-
-JOB 339
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8354300000e-01  8.1622000000e-01 -3.2079800000e-01  7.2253200000e-01 -6.2760900000e-01 -1.6922000000e-02 -2.3993880000e+00 -7.6049600000e-01 -3.7075300000e-01 -2.4507590000e+00 -1.3491870000e+00  3.8226500000e-01 -1.4768970000e+00 -5.0918700000e-01 -4.1641400000e-01
-ENERGY -1.526559945642e+02
-FORCES -1.2931900000e-02 -3.5045000000e-03 -3.4448000000e-03 -9.3390000000e-04 -5.5126000000e-03  1.5949000000e-03 -4.2067000000e-03  3.9414000000e-03  1.1540000000e-04  2.2234100000e-02  6.7963000000e-03  5.7732000000e-03  1.0311000000e-03  7.6780000000e-04 -1.9252000000e-03 -5.1926000000e-03 -2.4884000000e-03 -2.1134000000e-03
-
-JOB 340
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7718900000e-01 -3.4090100000e-01 -8.7671100000e-01 -7.2471800000e-01 -5.3506600000e-01  3.2360500000e-01  1.5090420000e+00 -2.3836570000e+00  5.0884800000e-01  2.3949110000e+00 -2.7186880000e+00  3.7020100000e-01  1.5811710000e+00 -1.4422180000e+00  3.5161500000e-01
-ENERGY -1.526589247857e+02
-FORCES -5.2403000000e-03 -6.4023000000e-03 -1.3919000000e-03  2.4030000000e-03  1.3019000000e-03  5.2608000000e-03  2.8032000000e-03  3.7487000000e-03 -1.8522000000e-03  4.8570000000e-04  6.2859000000e-03  8.7880000000e-04 -3.4866000000e-03  2.9815000000e-03 -2.4390000000e-04  3.0350000000e-03 -7.9157000000e-03 -2.6517000000e-03
-
-JOB 341
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7417700000e-01  4.4697800000e-01  3.4218800000e-01 -1.2852700000e-01 -9.1832800000e-01  2.3745700000e-01  1.0968490000e+00  2.8305880000e+00  1.5587700000e+00  1.5420820000e+00  2.1069130000e+00  1.9995580000e+00  1.7050220000e+00  3.1038700000e+00  8.7198500000e-01
-ENERGY -1.526558760962e+02
-FORCES -4.6582000000e-03 -2.0760000000e-04  2.1448000000e-03  2.5198000000e-03 -3.7025000000e-03 -1.9364000000e-03  1.0000000000e-03  3.9806000000e-03 -4.6590000000e-04  4.7020000000e-03 -3.8282000000e-03 -2.6537000000e-03 -1.4797000000e-03  3.8658000000e-03 -2.6040000000e-04 -2.0839000000e-03 -1.0810000000e-04  3.1716000000e-03
-
-JOB 342
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1189000000e-01 -7.1014100000e-01  4.9221800000e-01  7.2876600000e-01  4.4985500000e-01 -4.2750700000e-01  1.4687210000e+00  1.3758480000e+00 -1.7005430000e+00  1.2144970000e+00  1.7639490000e+00 -2.5377880000e+00  2.1392000000e+00  1.9658910000e+00 -1.3562480000e+00
-ENERGY -1.526579372310e+02
-FORCES  8.0785000000e-03  6.5639000000e-03 -1.0301900000e-02  7.5970000000e-04  3.3462000000e-03 -2.5338000000e-03 -7.5730000000e-04 -3.6882000000e-03  8.3795000000e-03 -7.6787000000e-03 -2.2998000000e-03  1.6614000000e-03  3.6057000000e-03 -1.2210000000e-04  3.7170000000e-03 -4.0080000000e-03 -3.8001000000e-03 -9.2220000000e-04
-
-JOB 343
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.3691200000e-01 -2.9141900000e-01 -8.0025900000e-01 -3.4277500000e-01 -8.0300500000e-01  3.9232800000e-01  1.3310030000e+00  5.2800400000e-01 -2.2528360000e+00  1.6462840000e+00  1.1617650000e+00 -1.6084930000e+00  5.4049500000e-01  9.2764500000e-01 -2.6156250000e+00
-ENERGY -1.526600322171e+02
-FORCES  6.0786000000e-03 -8.9940000000e-04 -9.9710000000e-03 -5.3286000000e-03  7.8750000000e-04  8.8051000000e-03  2.1349000000e-03  1.8662000000e-03 -3.9035000000e-03 -4.3958000000e-03  6.2814000000e-03  5.8907000000e-03 -2.0114000000e-03 -4.7697000000e-03 -3.2142000000e-03  3.5223000000e-03 -3.2661000000e-03  2.3929000000e-03
-
-JOB 344
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.7149900000e-01 -8.9200900000e-01 -3.0189200000e-01 -2.2771000000e-02  5.3127100000e-01 -7.9590500000e-01 -2.4505870000e+00  2.6511960000e+00  1.3794540000e+00 -2.5001220000e+00  2.5071280000e+00  4.3445500000e-01 -1.8096640000e+00  3.3547580000e+00  1.4816830000e+00
-ENERGY -1.526529085975e+02
-FORCES -7.3600000000e-04 -2.2037000000e-03 -3.9374000000e-03  7.6900000000e-04  3.8435000000e-03  1.1446000000e-03 -4.4610000000e-04 -1.4834000000e-03  3.3967000000e-03  3.6026000000e-03  8.8420000000e-04 -3.1787000000e-03 -2.8700000000e-04  1.3299000000e-03  3.1713000000e-03 -2.9024000000e-03 -2.3706000000e-03 -5.9650000000e-04
-
-JOB 345
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3172200000e-01  6.6019900000e-01  4.4456900000e-01 -2.0577900000e-01  1.1133200000e-01 -9.2816600000e-01  2.6207410000e+00  4.9009200000e-01  6.1742300000e-01  3.0660400000e+00  2.0893200000e-01  1.4167280000e+00  1.7322870000e+00  1.4441800000e-01  7.0340100000e-01
-ENERGY -1.526601567650e+02
-FORCES  2.8078000000e-03  4.2752000000e-03 -4.0426000000e-03  3.3471000000e-03 -3.2908000000e-03 -1.8245000000e-03 -1.1444000000e-03 -9.4800000000e-05  4.6876000000e-03 -1.0253700000e-02 -3.6450000000e-03 -2.0818000000e-03 -3.7556000000e-03  4.3760000000e-04 -2.2283000000e-03  8.9989000000e-03  2.3178000000e-03  5.4896000000e-03
-
-JOB 346
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.7043000000e-02 -6.9874800000e-01  6.5251100000e-01 -9.3727300000e-01  1.4689900000e-01 -1.2716800000e-01 -2.3252440000e+00  1.3387980000e+00 -3.5111000000e-01 -1.8545490000e+00  1.5536270000e+00 -1.1564220000e+00 -3.0093720000e+00  2.0052870000e+00 -2.8792800000e-01
-ENERGY -1.526573724318e+02
-FORCES -9.8728000000e-03  2.6926000000e-03  3.3356000000e-03 -8.4560000000e-04  2.3826000000e-03 -1.6470000000e-03  5.7589000000e-03 -8.6290000000e-04 -6.1381000000e-03  3.5452000000e-03  1.6192000000e-03  6.3400000000e-04 -2.2008000000e-03 -4.0609000000e-03  5.4185000000e-03  3.6151000000e-03 -1.7706000000e-03 -1.6030000000e-03
-
-JOB 347
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9271000000e-02 -7.5545200000e-01 -5.8481800000e-01 -8.5980600000e-01  4.8007000000e-02  4.1792500000e-01 -2.2926020000e+00  3.3103200000e-01  1.1221330000e+00 -2.9359980000e+00 -1.8678400000e-01  6.3825300000e-01 -2.4774240000e+00  1.4420500000e-01  2.0425510000e+00
-ENERGY -1.526564574960e+02
-FORCES -1.8977800000e-02  2.3960000000e-03  9.9731000000e-03 -2.6932000000e-03  2.0712000000e-03  2.3269000000e-03  6.1741000000e-03 -3.1036000000e-03 -6.1648000000e-03  1.0248600000e-02 -3.2432000000e-03 -3.1389000000e-03  5.5876000000e-03  1.5110000000e-03  2.7301000000e-03 -3.3930000000e-04  3.6860000000e-04 -5.7265000000e-03
-
-JOB 348
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1365700000e-01 -6.1429400000e-01 -5.2443400000e-01 -4.3609700000e-01 -5.4785300000e-01  6.5261600000e-01  7.5565900000e-01  1.7969600000e+00  1.7683400000e+00  1.0643480000e+00  2.6564790000e+00  1.4816870000e+00  8.1465000000e-01  1.2477900000e+00  9.8657000000e-01
-ENERGY -1.526593827977e+02
-FORCES -9.5330000000e-04  8.6030000000e-04  7.1372000000e-03 -1.8708000000e-03  3.7428000000e-03  3.6637000000e-03  3.3012000000e-03  1.7623000000e-03 -4.6307000000e-03 -3.8462000000e-03 -8.6086000000e-03 -1.1935700000e-02 -7.6400000000e-04 -3.6829000000e-03 -1.1913000000e-03  4.1332000000e-03  5.9260000000e-03  6.9568000000e-03
-
-JOB 349
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3929900000e-01  9.3771700000e-01  1.3234100000e-01 -3.7295600000e-01 -4.1048000000e-01  7.8015500000e-01 -9.3013600000e-01  7.0776700000e-01  2.4932890000e+00 -3.7378000000e-02  6.7145700000e-01  2.8366500000e+00 -1.3817520000e+00  1.3293070000e+00  3.0642210000e+00
-ENERGY -1.526574464230e+02
-FORCES -7.8884000000e-03  5.3956000000e-03  1.0499300000e-02  2.8887000000e-03 -9.6700000000e-04 -3.1504000000e-03  4.5778000000e-03 -2.6756000000e-03 -1.9556000000e-03  2.0343000000e-03  4.8030000000e-04  3.5760000000e-04 -4.9302000000e-03 -2.9940000000e-04 -2.6593000000e-03  3.3179000000e-03 -1.9339000000e-03 -3.0915000000e-03
-
-JOB 350
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8356700000e-01  7.6168000000e-02  8.2255300000e-01  8.8251500000e-01  3.0451900000e-01  2.1134700000e-01 -1.8007870000e+00  4.0741200000e-01  1.8340930000e+00 -1.6266290000e+00 -2.8675400000e-01  2.4697300000e+00 -2.5581200000e+00  9.5011000000e-02  1.3390330000e+00
-ENERGY -1.526570206311e+02
-FORCES -1.2670900000e-02  5.6092000000e-03  1.4041000000e-02  7.5789000000e-03 -6.2687000000e-03 -4.3963000000e-03 -3.7404000000e-03 -7.4050000000e-04  1.9680000000e-03  1.5088000000e-03 -2.9561000000e-03 -8.5858000000e-03  2.4889000000e-03  3.4797000000e-03 -6.6968000000e-03  4.8348000000e-03  8.7650000000e-04  3.6700000000e-03
-
-JOB 351
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2111900000e-01  7.6664800000e-01  4.7472700000e-01  3.0693300000e-01 -7.4666900000e-01  5.1430500000e-01  2.5446460000e+00  3.5233000000e-01 -1.0247110000e+00  2.7618540000e+00  1.2385040000e+00 -1.3141050000e+00  1.7249170000e+00  4.5211000000e-01 -5.4064400000e-01
-ENERGY -1.526524176038e+02
-FORCES  3.0039000000e-03 -2.6214000000e-03  2.9982000000e-03  6.0678000000e-03 -4.6983000000e-03 -8.7540000000e-03 -4.5370000000e-04  5.4448000000e-03 -3.5903000000e-03 -1.1948900000e-02 -4.5800000000e-04  7.3840000000e-04 -2.7142000000e-03 -2.7698000000e-03  2.2882000000e-03  6.0451000000e-03  5.1027000000e-03  6.3196000000e-03
-
-JOB 352
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8896600000e-01  2.9041200000e-01 -2.0404000000e-01  7.7892000000e-02 -4.3168700000e-01  8.5077100000e-01  6.5191900000e-01 -1.5688490000e+00 -2.1412870000e+00 -1.3674000000e-02 -1.2267860000e+00 -1.5444530000e+00  2.1454600000e-01 -1.6073930000e+00 -2.9918470000e+00
-ENERGY -1.526608817768e+02
-FORCES  7.0782000000e-03 -1.3817000000e-03 -6.6190000000e-04 -5.1424000000e-03 -1.0836000000e-03  2.2327000000e-03  2.3800000000e-05  1.5136000000e-03 -4.4415000000e-03 -5.6420000000e-03  4.9117000000e-03  6.7353000000e-03  3.3583000000e-03 -5.2654000000e-03 -7.8634000000e-03  3.2410000000e-04  1.3054000000e-03  3.9988000000e-03
-
-JOB 353
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7015900000e-01 -5.4032700000e-01 -1.7644800000e-01  7.4157000000e-01 -5.4788400000e-01 -2.5715400000e-01  2.4981190000e+00  1.4465740000e+00 -1.1164170000e+00  3.1551670000e+00  1.5498940000e+00 -4.2805300000e-01  2.4972210000e+00  5.0885100000e-01 -1.3085240000e+00
-ENERGY -1.526499533448e+02
-FORCES  7.0970000000e-04 -3.1394000000e-03 -2.0794000000e-03  3.6162000000e-03  2.9269000000e-03  4.9410000000e-04 -1.2325000000e-03  1.5938000000e-03  9.0100000000e-05  8.5650000000e-04 -2.5919000000e-03  2.6760000000e-03 -2.8368000000e-03 -7.2820000000e-04 -3.0866000000e-03 -1.1131000000e-03  1.9388000000e-03  1.9058000000e-03
-
-JOB 354
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3790000000e-03  1.2796600000e-01 -9.4859200000e-01 -1.5037800000e-01 -9.3832600000e-01  1.1473100000e-01  1.5608800000e-01 -2.9941400000e-01 -3.1396790000e+00  4.8098300000e-01  5.6533200000e-01 -2.8889030000e+00  4.7910600000e-01 -4.2778300000e-01 -4.0315380000e+00
-ENERGY -1.526559875656e+02
-FORCES -1.2864000000e-03 -6.3038000000e-03 -5.7175000000e-03  1.9269000000e-03  5.3478000000e-03  2.6254000000e-03  5.0520000000e-04  3.4352000000e-03  1.4010000000e-03  3.4331000000e-03  2.1837000000e-03 -5.3573000000e-03 -3.1160000000e-03 -5.5905000000e-03  3.2868000000e-03 -1.4628000000e-03  9.2760000000e-04  3.7615000000e-03
-
-JOB 355
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5479000000e-01  3.4488300000e-01 -6.0707300000e-01 -8.1543500000e-01  4.3075200000e-01 -2.5641800000e-01  2.3096770000e+00 -1.4008020000e+00  1.5693290000e+00  2.4738050000e+00 -1.6011780000e+00  6.4784000000e-01  1.6939630000e+00 -6.6817500000e-01  1.5496420000e+00
-ENERGY -1.526572849308e+02
-FORCES -3.1772000000e-03  3.1965000000e-03 -4.2464000000e-03 -1.9219000000e-03 -2.4288000000e-03  4.0352000000e-03  3.9554000000e-03 -1.8714000000e-03  5.1070000000e-04 -6.2807000000e-03  2.1573000000e-03 -4.6608000000e-03  8.9500000000e-04  1.1648000000e-03  2.7529000000e-03  6.5293000000e-03 -2.2183000000e-03  1.6083000000e-03
-
-JOB 356
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.3173000000e-01 -3.6839800000e-01  7.7079400000e-01  9.3084100000e-01 -5.5400000000e-04  2.2308400000e-01 -2.1579700000e-01  2.2103000000e-01 -2.7850690000e+00  4.0539000000e-02  2.6413800000e-01 -1.8638380000e+00  5.8328500000e-01 -3.6704000000e-02 -3.2447140000e+00
-ENERGY -1.526583131122e+02
-FORCES -2.4997000000e-03 -2.5016000000e-03  9.8040000000e-04  3.8114000000e-03  1.8400000000e-03 -2.0398000000e-03 -4.6799000000e-03 -1.3610000000e-04 -3.3037000000e-03  1.1638000000e-03 -1.8810000000e-03  9.6641000000e-03  4.1002000000e-03  1.9109000000e-03 -8.3503000000e-03 -1.8958000000e-03  7.6770000000e-04  3.0493000000e-03
-
-JOB 357
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8724300000e-01  6.7900300000e-01  4.6667000000e-01 -9.0272800000e-01  3.1805400000e-01 -1.2487000000e-02 -1.2645200000e-01  5.2548900000e-01  3.1152550000e+00 -4.8982300000e-01 -1.4017100000e-01  2.5312260000e+00  1.4612200000e-01  3.9136000000e-02  3.8933260000e+00
-ENERGY -1.526586893487e+02
-FORCES  2.0550000000e-04  6.5390000000e-03  5.6690000000e-04 -2.7568000000e-03 -4.1599000000e-03 -3.4650000000e-03  3.5783000000e-03 -2.7313000000e-03  1.5487000000e-03 -1.0460000000e-04 -5.9205000000e-03  4.8030000000e-04  3.3180000000e-04  4.6993000000e-03  4.2178000000e-03 -1.2542000000e-03  1.5735000000e-03 -3.3486000000e-03
-
-JOB 358
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5257600000e-01 -9.1293000000e-02  2.2299000000e-02 -3.2412400000e-01 -7.4054100000e-01  5.1261600000e-01  2.3714600000e+00  7.3567800000e-01 -1.0322880000e+00  2.5178390000e+00  1.6084940000e+00 -6.6760200000e-01  3.2403590000e+00  3.3455600000e-01 -1.0509330000e+00
-ENERGY -1.526578746482e+02
-FORCES  9.6581000000e-03  1.0660000000e-03 -3.9215000000e-03 -7.3821000000e-03 -2.7536000000e-03  6.1415000000e-03  3.4852000000e-03  2.1348000000e-03 -2.2779000000e-03 -5.4320000000e-04  3.6209000000e-03  4.5900000000e-05  8.7000000000e-06 -5.3558000000e-03 -1.2927000000e-03 -5.2268000000e-03  1.2877000000e-03  1.3046000000e-03
-
-JOB 359
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6168600000e-01  9.3938300000e-01  8.7458000000e-02 -8.4079300000e-01 -5.7567000000e-02 -4.5385600000e-01 -2.8508770000e+00  3.7031500000e-01  9.3440000000e-03 -3.2827270000e+00  2.4027700000e-01 -8.3494800000e-01 -2.8028070000e+00 -5.0584700000e-01  3.9178500000e-01
-ENERGY -1.526573419071e+02
-FORCES -1.0361500000e-02  7.1427000000e-03 -4.0930000000e-04  1.2629000000e-03 -3.0683000000e-03 -4.3550000000e-04  5.2826000000e-03 -5.2997000000e-03 -8.7940000000e-04 -2.4095000000e-03 -3.5357000000e-03  2.5248000000e-03  5.0294000000e-03  2.1290000000e-04  3.6546000000e-03  1.1961000000e-03  4.5481000000e-03 -4.4552000000e-03
-
-JOB 360
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3695100000e-01  5.5739000000e-02 -1.8774600000e-01 -3.9922300000e-01  6.5290300000e-01 -5.7495300000e-01  2.6094760000e+00  1.0568100000e-01  1.6257100000e-01  2.8847050000e+00  9.0725100000e-01  6.0750500000e-01  2.8678770000e+00  2.3676800000e-01 -7.4972200000e-01
-ENERGY -1.526555144373e+02
-FORCES  1.8113800000e-02  9.1740000000e-04  1.6629000000e-03 -8.3147000000e-03  8.3120000000e-04 -6.7091000000e-03  4.3651000000e-03 -1.3584000000e-03  1.4757000000e-03 -6.2339000000e-03  3.5442000000e-03  2.3215000000e-03 -9.4130000000e-04 -4.1075000000e-03 -3.8133000000e-03 -6.9890000000e-03  1.7310000000e-04  5.0623000000e-03
-
-JOB 361
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6004800000e-01  3.7799000000e-01  8.0232200000e-01  7.6038200000e-01 -1.2832800000e-01 -5.6708300000e-01  2.8844510000e+00  1.2087620000e+00 -1.2305150000e+00  3.7178240000e+00  7.5653800000e-01 -1.3617230000e+00  2.9153980000e+00  1.5103370000e+00 -3.2259100000e-01
-ENERGY -1.526567639745e+02
-FORCES  5.9866000000e-03  1.8704000000e-03 -1.3076000000e-03 -9.2140000000e-04 -1.0129000000e-03 -2.5113000000e-03 -5.5014000000e-03 -1.8147000000e-03  4.4429000000e-03  5.8758000000e-03  1.9679000000e-03  2.0676000000e-03 -4.2482000000e-03  1.8201000000e-03  9.0850000000e-04 -1.1914000000e-03 -2.8309000000e-03 -3.6001000000e-03
-
-JOB 362
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2489600000e-01  3.7419600000e-01  7.7179800000e-01 -8.6979300000e-01 -2.5715100000e-01  3.0588300000e-01  1.0449420000e+00  1.5718850000e+00  2.0710150000e+00  6.7202300000e-01  1.3034030000e+00  2.9107060000e+00  8.4957900000e-01  2.5069240000e+00  2.0096480000e+00
-ENERGY -1.526599594438e+02
-FORCES  3.1081000000e-03  6.7995000000e-03  1.0016000000e-02 -4.2747000000e-03 -7.5971000000e-03 -5.7835000000e-03  2.7463000000e-03  1.2159000000e-03  5.2900000000e-05 -2.9829000000e-03  3.3838000000e-03 -9.0050000000e-04  5.3090000000e-04  7.6780000000e-04 -5.5246000000e-03  8.7230000000e-04 -4.5699000000e-03  2.1396000000e-03
-
-JOB 363
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3482400000e-01 -4.5040000000e-01 -8.3378300000e-01  6.3193300000e-01 -5.4568700000e-01  4.6810000000e-01  4.2354000000e-01  2.6339250000e+00  6.1166400000e-01 -4.7394300000e-01  2.9603040000e+00  6.7672700000e-01  3.2941300000e-01  1.6832710000e+00  5.5143100000e-01
-ENERGY -1.526596367216e+02
-FORCES  1.6591000000e-03  3.1010000000e-03 -3.4172000000e-03  8.5360000000e-04  3.0000000000e-05  4.8436000000e-03 -2.9336000000e-03  4.2185000000e-03 -2.6957000000e-03 -5.4685000000e-03 -1.2628200000e-02 -3.9262000000e-03  2.3425000000e-03 -8.2760000000e-04 -5.2060000000e-04  3.5469000000e-03  6.1062000000e-03  5.7162000000e-03
-
-JOB 364
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1960400000e-01  2.4269000000e-02 -6.3072400000e-01 -6.4725500000e-01 -5.8303600000e-01 -3.9668800000e-01 -1.4655480000e+00 -2.0899000000e+00 -1.6268150000e+00 -8.8687000000e-01 -2.8180110000e+00 -1.4005000000e+00 -1.1029220000e+00 -1.7390280000e+00 -2.4402170000e+00
-ENERGY -1.526593890210e+02
-FORCES -3.6904000000e-03 -5.7917000000e-03 -6.0945000000e-03 -2.3401000000e-03 -5.1400000000e-04  1.5451000000e-03  6.2494000000e-03  6.4758000000e-03  4.1478000000e-03  2.5740000000e-03 -4.4371000000e-03 -4.0757000000e-03 -2.3277000000e-03  4.8767000000e-03 -1.1881000000e-03 -4.6520000000e-04 -6.0980000000e-04  5.6655000000e-03
-
-JOB 365
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6131900000e-01  1.7022000000e-02  8.3852700000e-01  6.7536800000e-01  1.9566700000e-01 -6.4948000000e-01  4.1215300000e-01 -1.0307830000e+00 -2.8779990000e+00 -3.2881800000e-01 -1.6321900000e+00 -2.8038060000e+00  7.2950700000e-01 -1.1502470000e+00 -3.7731230000e+00
-ENERGY -1.526580934685e+02
-FORCES  4.9853000000e-03  3.5130000000e-04 -2.2503000000e-03 -1.4787000000e-03 -2.2110000000e-04 -3.4537000000e-03 -2.1850000000e-03  1.4136000000e-03  6.6675000000e-03 -3.6044000000e-03 -3.8664000000e-03 -2.5864000000e-03  3.6433000000e-03  1.9575000000e-03 -2.3087000000e-03 -1.3605000000e-03  3.6520000000e-04  3.9316000000e-03
-
-JOB 366
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2980300000e-01 -4.8783000000e-02 -8.9726400000e-01  2.6942000000e-01 -8.2682700000e-01  4.0000100000e-01  2.0560610000e+00 -2.0710750000e+00  2.9260400000e-01  2.4871510000e+00 -2.3465820000e+00  1.1016090000e+00  1.5096210000e+00 -2.8171950000e+00  4.5742000000e-02
-ENERGY -1.526571455306e+02
-FORCES  9.8350000000e-03 -6.5554000000e-03 -1.1765000000e-03 -2.8736000000e-03  8.2850000000e-04  1.7721000000e-03 -7.2127000000e-03  1.7915000000e-03 -3.8060000000e-04  2.5203000000e-03 -3.2207000000e-03  2.0032000000e-03 -2.8047000000e-03  1.0397000000e-03 -3.9783000000e-03  5.3580000000e-04  6.1164000000e-03  1.7601000000e-03
-
-JOB 367
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6459900000e-01 -4.8998000000e-02  5.7377700000e-01 -1.8355800000e-01 -6.2809100000e-01 -6.9859900000e-01 -3.8499000000e-01  2.2892730000e+00 -2.0570060000e+00  3.7413000000e-01  1.7780890000e+00 -2.3374680000e+00 -4.2628500000e-01  2.1576420000e+00 -1.1097990000e+00
-ENERGY -1.526579670932e+02
-FORCES -4.4342000000e-03 -4.4372000000e-03 -1.3415000000e-03  3.3855000000e-03  1.3012000000e-03 -2.9404000000e-03  1.5429000000e-03  2.8579000000e-03  3.1560000000e-03  4.6425000000e-03 -5.8589000000e-03  6.4306000000e-03 -2.7487000000e-03  1.6667000000e-03 -1.3310000000e-03 -2.3879000000e-03  4.4703000000e-03 -3.9737000000e-03
-
-JOB 368
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4615300000e-01 -1.9985200000e-01 -5.6528500000e-01  2.4879400000e-01 -8.4417800000e-01  3.7642600000e-01 -1.3240100000e+00 -4.6358100000e-01 -2.9598550000e+00 -1.0311210000e+00 -5.5270900000e-01 -3.8667750000e+00 -8.6131000000e-01  3.0796200000e-01 -2.6329580000e+00
-ENERGY -1.526571442593e+02
-FORCES -2.5250000000e-03 -6.8188000000e-03 -7.4380000000e-04  4.2210000000e-03  4.7953000000e-03  1.4005000000e-03 -6.6560000000e-04  3.5422000000e-03 -6.9400000000e-04  4.2600000000e-03  2.6675000000e-03 -4.7061000000e-03 -1.3325000000e-03  6.7990000000e-04  3.5302000000e-03 -3.9579000000e-03 -4.8660000000e-03  1.2131000000e-03
-
-JOB 369
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8612500000e-01 -1.4632900000e-01  8.6355500000e-01 -8.9021400000e-01 -3.4396500000e-01  7.3749000000e-02 -5.6768700000e-01  2.1599180000e+00 -1.9530020000e+00 -9.0438700000e-01  1.2735940000e+00 -1.8214890000e+00 -1.3011870000e+00  2.6408720000e+00 -2.3362680000e+00
-ENERGY -1.526532531159e+02
-FORCES -9.6300000000e-05  1.0280000000e-04  5.4043000000e-03 -1.9329000000e-03  4.2900000000e-05 -3.4606000000e-03  3.3961000000e-03  2.8221000000e-03 -2.9687000000e-03 -1.6884000000e-03 -4.1932000000e-03  1.3494000000e-03 -2.4936000000e-03  3.6204000000e-03 -2.8167000000e-03  2.8151000000e-03 -2.3949000000e-03  2.4923000000e-03
-
-JOB 370
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3160000000e-03 -7.1383000000e-01  6.3764500000e-01 -8.8881700000e-01  3.5217800000e-01  4.6985000000e-02 -2.5153780000e+00  9.5446300000e-01  4.3970000000e-03 -2.5626580000e+00  1.5455930000e+00 -7.4697600000e-01 -2.2940920000e+00  1.5220330000e+00  7.4272600000e-01
-ENERGY -1.526584265910e+02
-FORCES -1.7216300000e-02  2.3028000000e-03 -2.9900000000e-04 -1.1629000000e-03  2.8738000000e-03 -1.1392000000e-03  1.0372100000e-02  1.5916000000e-03  3.6284000000e-03  3.8643000000e-03  2.1636000000e-03 -1.9439000000e-03  1.3178000000e-03 -3.1523000000e-03  5.0063000000e-03  2.8250000000e-03 -5.7795000000e-03 -5.2527000000e-03
-
-JOB 371
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9709200000e-01 -3.8433100000e-01 -7.2209400000e-01  6.6672800000e-01  3.5192700000e-01  5.8979100000e-01 -1.7139030000e+00 -2.5812290000e+00 -7.6320800000e-01 -1.7099690000e+00 -1.6947500000e+00 -1.1242780000e+00 -8.5332500000e-01 -2.6781060000e+00 -3.5546800000e-01
-ENERGY -1.526554755989e+02
-FORCES  5.2013000000e-03  1.9458000000e-03  7.3740000000e-04 -4.0589000000e-03 -5.8000000000e-05  3.3659000000e-03 -2.6862000000e-03 -1.9957000000e-03 -2.8358000000e-03  3.3970000000e-03  6.5157000000e-03  3.5168000000e-03  2.1970000000e-04 -4.7646000000e-03 -1.6397000000e-03 -2.0729000000e-03 -1.6432000000e-03 -3.1446000000e-03
-
-JOB 372
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.9687900000e-01  4.9228300000e-01  1.9716100000e-01  2.8163600000e-01 -9.1461600000e-01 -1.9757000000e-02  2.3515700000e+00  8.9931600000e-01  8.8547300000e-01  2.9017490000e+00  9.6113200000e-01  1.0463100000e-01  1.9269400000e+00  1.7548790000e+00  9.4820100000e-01
-ENERGY -1.526546574902e+02
-FORCES  1.8675500000e-02  1.0388000000e-03  7.7644000000e-03 -6.2365000000e-03  6.9023000000e-03 -3.5489000000e-03 -1.3315000000e-03  1.8654000000e-03 -1.0322000000e-03 -3.5557000000e-03  3.9040000000e-04 -2.7359000000e-03 -5.5546000000e-03 -1.2192000000e-03  3.6808000000e-03 -1.9972000000e-03 -8.9777000000e-03 -4.1281000000e-03
-
-JOB 373
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2416200000e-01  1.1691200000e-01  2.2019900000e-01 -4.4294000000e-01 -5.7989000000e-02  8.4656500000e-01 -1.6671440000e+00 -7.5917100000e-01 -2.1896010000e+00 -1.3645800000e+00 -6.2350000000e-03 -1.6818870000e+00 -2.1867350000e+00 -3.7814500000e-01 -2.8974690000e+00
-ENERGY -1.526582353716e+02
-FORCES  2.4432000000e-03 -2.1128000000e-03  3.0283000000e-03 -4.1268000000e-03 -6.1760000000e-04  2.1000000000e-06  2.1514000000e-03  1.0080000000e-03 -3.9092000000e-03  3.3339000000e-03  4.2904000000e-03  3.3220000000e-03 -6.3992000000e-03 -1.8552000000e-03 -5.7027000000e-03  2.5975000000e-03 -7.1280000000e-04  3.2595000000e-03
-
-JOB 374
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5550500000e-01 -4.2923500000e-01  1.0036000000e-02 -5.4362800000e-01 -5.3479700000e-01  5.7852600000e-01  2.7040200000e+00 -1.9303900000e-01 -2.3130000000e-02  2.4696920000e+00 -3.0654900000e-01  8.9797600000e-01  3.2197810000e+00 -9.7049000000e-01 -2.3712000000e-01
-ENERGY -1.526545883905e+02
-FORCES  1.0321700000e-02 -2.1884000000e-03 -2.8701000000e-03 -6.6628000000e-03 -9.5760000000e-04  8.0288000000e-03  4.9711000000e-03  1.3185000000e-03 -1.2797000000e-03  4.4690000000e-04  4.9050000000e-04  2.6686000000e-03 -4.5768000000e-03 -2.3877000000e-03 -8.0780000000e-03 -4.5001000000e-03  3.7247000000e-03  1.5304000000e-03
-
-JOB 375
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7195200000e-01  3.8063600000e-01  1.0511200000e-01  2.9801900000e-01 -1.6769500000e-01  8.9403300000e-01  1.2149650000e+00  1.8520950000e+00 -1.6624060000e+00  4.4246600000e-01  1.6790490000e+00 -1.1243240000e+00  1.1664300000e+00  2.7878250000e+00 -1.8580720000e+00
-ENERGY -1.526542454553e+02
-FORCES  1.6366000000e-03 -5.5520000000e-04  3.8716000000e-03  6.6183000000e-03  2.0232000000e-03 -2.8306000000e-03 -2.3019000000e-03  4.3900000000e-04 -4.1048000000e-03 -3.9848000000e-03 -4.2815000000e-03  5.0968000000e-03 -9.6910000000e-04  6.6621000000e-03 -4.3433000000e-03 -9.9900000000e-04 -4.2876000000e-03  2.3104000000e-03
-
-JOB 376
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.5335100000e-01 -6.9833800000e-01 -4.1102000000e-02 -8.4098400000e-01 -4.5581000000e-01 -3.4860000000e-02  7.3721400000e-01  2.5165170000e+00  8.3234100000e-01  5.4390400000e-01  1.7245880000e+00  3.3063300000e-01  1.3523170000e+00  3.0037300000e+00  2.8415900000e-01
-ENERGY -1.526604371563e+02
-FORCES -6.6020000000e-04  7.7540000000e-04  2.6137000000e-03 -3.7477000000e-03  2.8808000000e-03 -3.6980000000e-04  4.7652000000e-03  1.7510000000e-04 -4.8700000000e-05 -2.8918000000e-03 -9.3815000000e-03 -4.6894000000e-03  4.2880000000e-03  8.6940000000e-03  1.5018000000e-03 -1.7534000000e-03 -3.1437000000e-03  9.9230000000e-04
-
-JOB 377
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8724200000e-01  2.4045900000e-01  7.1663000000e-01  3.8617200000e-01  4.0928600000e-01 -7.7433100000e-01 -1.8459770000e+00 -1.1101520000e+00 -2.4146570000e+00 -2.3871720000e+00 -1.6553530000e+00 -2.9857050000e+00 -1.6322670000e+00 -1.6771070000e+00 -1.6736300000e+00
-ENERGY -1.526571729926e+02
-FORCES  3.7365000000e-03  3.9767000000e-03 -1.0632000000e-03 -2.3984000000e-03 -8.6700000000e-04 -3.0951000000e-03 -2.3830000000e-04 -1.6922000000e-03  4.6817000000e-03 -1.2626000000e-03 -4.2712000000e-03  2.4801000000e-03  2.1542000000e-03  2.0702000000e-03  2.5155000000e-03 -1.9914000000e-03  7.8350000000e-04 -5.5190000000e-03
-
-JOB 378
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7762000000e-01 -1.3228700000e-01 -8.6956100000e-01 -5.5917700000e-01  7.7094000000e-01 -9.5940000000e-02 -2.5869140000e+00 -1.3191280000e+00  5.5466500000e-01 -2.1038210000e+00 -8.2734500000e-01  1.2187460000e+00 -2.6340470000e+00 -2.2096430000e+00  9.0250600000e-01
-ENERGY -1.526539436034e+02
-FORCES -4.1336000000e-03 -4.7880000000e-04 -6.1671000000e-03 -6.0840000000e-04  1.1264000000e-03  3.3874000000e-03  2.2919000000e-03 -2.9426000000e-03  2.3028000000e-03  7.3680000000e-03 -6.8320000000e-04  3.0187000000e-03 -5.1316000000e-03 -1.7520000000e-04 -1.0161000000e-03  2.1390000000e-04  3.1535000000e-03 -1.5258000000e-03
-
-JOB 379
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0280500000e-01  5.2079300000e-01  2.2578000000e-02  5.0810000000e-02 -4.8367100000e-01 -8.2444700000e-01 -3.0916700000e-01 -1.0635380000e+00  2.8225710000e+00 -8.3953100000e-01 -8.9795000000e-01  2.0431310000e+00 -8.5303100000e-01 -7.6386400000e-01  3.5510210000e+00
-ENERGY -1.526583873976e+02
-FORCES  5.8834000000e-03  7.2100000000e-04 -1.7494000000e-03 -3.5470000000e-03 -1.7065000000e-03 -1.8995000000e-03 -2.7530000000e-04  1.9637000000e-03  3.6853000000e-03 -3.3012000000e-03  2.6398000000e-03 -4.3241000000e-03 -8.0310000000e-04 -3.0523000000e-03  7.4801000000e-03  2.0433000000e-03 -5.6560000000e-04 -3.1924000000e-03
-
-JOB 380
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8655900000e-01  8.7552300000e-01  1.6243000000e-02  4.1942400000e-01 -4.3377300000e-01 -7.4307200000e-01  2.3985510000e+00 -1.1367700000e+00 -1.0999590000e+00  2.6720630000e+00 -6.6107600000e-01 -1.8842660000e+00  2.9392720000e+00 -1.9266110000e+00 -1.0975540000e+00
-ENERGY -1.526567833943e+02
-FORCES  1.0193900000e-02 -2.2682000000e-03 -3.3128000000e-03 -1.8799000000e-03 -2.1123000000e-03 -3.9040000000e-04 -6.3984000000e-03  4.2033000000e-03  1.1280000000e-04  3.2327000000e-03 -2.4324000000e-03 -1.5430000000e-04 -3.2821000000e-03 -1.6420000000e-03  4.2476000000e-03 -1.8661000000e-03  4.2515000000e-03 -5.0290000000e-04
-
-JOB 381
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4681600000e-01  3.5166000000e-02  1.3614000000e-01 -1.2993600000e-01 -7.4055800000e-01 -5.9238700000e-01 -2.5891020000e+00  6.9772100000e-01  8.1926600000e-01 -2.3251450000e+00  1.7225400000e-01  6.3989000000e-02 -1.7663930000e+00  9.2661500000e-01  1.2516900000e+00
-ENERGY -1.526558723162e+02
-FORCES  4.5000000000e-04 -2.3132000000e-03 -1.2678000000e-03 -4.7113000000e-03 -1.6240000000e-04 -1.7570000000e-04 -1.0654000000e-03  4.2106000000e-03  2.7592000000e-03  1.3169400000e-02 -2.3196000000e-03 -3.3553000000e-03 -3.3361000000e-03 -1.4127000000e-03 -6.5350000000e-04 -4.5066000000e-03  1.9973000000e-03  2.6931000000e-03
-
-JOB 382
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.2130700000e-01 -2.7892600000e-01 -4.0483000000e-01 -2.4681100000e-01  2.6378100000e-01  8.8641700000e-01 -6.6945700000e-01  1.1556950000e+00  2.2435460000e+00 -1.6053020000e+00  1.0730590000e+00  2.4268400000e+00 -2.4312800000e-01  9.5604600000e-01  3.0769810000e+00
-ENERGY -1.526572311274e+02
-FORCES -5.9212000000e-03  8.7792000000e-03  1.6549200000e-02  1.1907000000e-03  1.5831000000e-03  2.8438000000e-03  1.1103000000e-03 -5.7754000000e-03 -7.2113000000e-03  1.2469000000e-03 -4.3207000000e-03 -5.7899000000e-03  5.6030000000e-03 -9.1370000000e-04 -1.5311000000e-03 -3.2295000000e-03  6.4750000000e-04 -4.8607000000e-03
-
-JOB 383
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3653400000e-01 -1.7404400000e-01  9.3128900000e-01 -3.2937900000e-01 -8.2658200000e-01 -3.5285100000e-01 -3.0343460000e+00  2.7568400000e-01 -6.0770200000e-01 -2.5587720000e+00 -3.9009000000e-01 -1.1090700000e-01 -3.9561630000e+00  3.9573000000e-02 -5.0407900000e-01
-ENERGY -1.526519629690e+02
-FORCES  1.0555000000e-03 -2.6605000000e-03  9.5890000000e-04 -1.8157000000e-03  5.2600000000e-04 -4.3382000000e-03 -1.3156000000e-03  3.8110000000e-03  3.2540000000e-03  6.0200000000e-05 -2.3074000000e-03  3.0983000000e-03 -2.5480000000e-03 -5.2260000000e-04 -2.8472000000e-03  4.5637000000e-03  1.1534000000e-03 -1.2590000000e-04
-
-JOB 384
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1457400000e-01  8.8330600000e-01 -1.9247100000e-01 -6.9480800000e-01 -3.9229300000e-01  5.2875300000e-01 -1.7566820000e+00 -1.0283190000e+00  1.8853920000e+00 -1.9287050000e+00 -1.8861050000e+00  2.2737770000e+00 -2.6042050000e+00 -5.8367700000e-01  1.9005790000e+00
-ENERGY -1.526597437259e+02
-FORCES -7.9123000000e-03 -3.2410000000e-03  8.5121000000e-03 -2.7450000000e-04 -2.8725000000e-03  1.2227000000e-03  4.0228000000e-03  5.1113000000e-03 -7.3239000000e-03  2.3340000000e-04 -1.6436000000e-03 -5.2450000000e-04 -7.3540000000e-04  4.8164000000e-03 -1.0667000000e-03  4.6660000000e-03 -2.1706000000e-03 -8.1960000000e-04
-
-JOB 385
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3662700000e-01  6.0942300000e-01 -4.7069000000e-02 -6.8789000000e-02 -2.2207600000e-01  9.2853800000e-01 -1.4943400000e+00  2.5647640000e+00 -1.5083240000e+00 -7.6360600000e-01  2.6618620000e+00 -8.9772500000e-01 -2.2736740000e+00  2.5692350000e+00 -9.5258200000e-01
-ENERGY -1.526524842966e+02
-FORCES  3.3326000000e-03  1.9300000000e-04  2.5605000000e-03 -4.1380000000e-03 -1.0206000000e-03  4.7250000000e-04 -3.2330000000e-04  1.5571000000e-03 -4.2425000000e-03 -2.1420000000e-04 -3.2612000000e-03  6.1837000000e-03 -1.1810000000e-03  1.3805000000e-03 -2.5395000000e-03  2.5239000000e-03  1.1512000000e-03 -2.4347000000e-03
-
-JOB 386
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4277600000e-01 -8.6127900000e-01 -2.3861100000e-01  7.1802500000e-01  1.5123700000e-01 -6.1465400000e-01  5.0466100000e-01  9.0118400000e-01  2.3213760000e+00  3.2453600000e-01  6.0459100000e-01  1.4292890000e+00 -3.3285800000e-01  8.1479100000e-01  2.7767100000e+00
-ENERGY -1.526560333459e+02
-FORCES  4.1055000000e-03  2.7015000000e-03  1.6084100000e-02  2.2712000000e-03  4.7562000000e-03 -6.7370000000e-04 -4.0758000000e-03 -1.8984000000e-03  3.9697000000e-03 -7.2318000000e-03 -9.0285000000e-03 -2.1271500000e-02  3.3944000000e-03  4.4385000000e-03  3.9162000000e-03  1.5365000000e-03 -9.6930000000e-04 -2.0248000000e-03
-
-JOB 387
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.3436700000e-01  7.7720300000e-01 -5.0720700000e-01  4.7139200000e-01 -7.1582900000e-01 -4.2615700000e-01  1.1163500000e+00 -2.1846750000e+00 -1.1421170000e+00  1.8756070000e+00 -1.9397130000e+00 -1.6710350000e+00  3.7886600000e-01 -2.1522970000e+00 -1.7514610000e+00
-ENERGY -1.526578238665e+02
-FORCES  8.9526000000e-03 -1.1557000000e-02 -5.5730000000e-03  2.2840000000e-04 -4.0142000000e-03  1.3180000000e-04 -7.3784000000e-03  8.9191000000e-03 -8.5820000000e-04 -1.2095000000e-03  2.0372000000e-03 -2.1305000000e-03 -5.3822000000e-03  6.3320000000e-04  3.0552000000e-03  4.7891000000e-03  3.9817000000e-03  5.3747000000e-03
-
-JOB 388
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6098600000e-01 -6.3321000000e-01  2.7995500000e-01  3.0939400000e-01  8.3789800000e-01  3.4414300000e-01 -5.1624300000e-01  1.2574550000e+00  3.0391500000e+00 -1.4274120000e+00  1.4104440000e+00  3.2893420000e+00 -4.5128200000e-01  1.6004110000e+00  2.1478620000e+00
-ENERGY -1.526522609042e+02
-FORCES  5.0922000000e-03 -1.2053000000e-03  4.1336000000e-03 -2.6436000000e-03  2.5803000000e-03 -2.5018000000e-03 -3.9116000000e-03 -9.4820000000e-04  1.0111000000e-03 -5.6874000000e-03  4.7160000000e-04 -3.4849000000e-03  4.0068000000e-03 -3.6150000000e-04 -4.9390000000e-04  3.1436000000e-03 -5.3670000000e-04  1.3359000000e-03
-
-JOB 389
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2486100000e-01 -4.6601500000e-01 -4.1669900000e-01  2.1429500000e-01  7.0545500000e-01 -6.1044400000e-01 -1.8134420000e+00 -1.5484460000e+00 -5.0652000000e-01 -2.5168560000e+00 -1.6341730000e+00 -1.1500200000e+00 -1.9223370000e+00 -2.3045810000e+00  7.0224000000e-02
-ENERGY -1.526524572632e+02
-FORCES -1.9579100000e-02 -1.7206400000e-02 -4.9790000000e-03  2.5690000000e-03  3.4784000000e-03 -8.9250000000e-04 -4.0863000000e-03 -3.7120000000e-03 -4.8150000000e-04  1.9749600000e-02  1.4728400000e-02  7.4170000000e-03  3.8088000000e-03 -4.4200000000e-05  3.8175000000e-03 -2.4620000000e-03  2.7559000000e-03 -4.8814000000e-03
-
-JOB 390
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.6421600000e-01  5.1283900000e-01 -4.6048300000e-01 -3.9603800000e-01 -5.4531700000e-01 -6.7971700000e-01 -1.4219220000e+00 -1.4964470000e+00 -1.8907550000e+00 -2.3472970000e+00 -1.3430140000e+00 -2.0814640000e+00 -1.1831330000e+00 -2.2405250000e+00 -2.4435290000e+00
-ENERGY -1.526614245104e+02
-FORCES -4.2142000000e-03 -4.9880000000e-03 -9.0789000000e-03 -2.0179000000e-03 -1.9548000000e-03  7.4240000000e-04  5.2554000000e-03  5.1338000000e-03  6.2015000000e-03 -1.1997000000e-03  2.4360000000e-04  7.7500000000e-04  4.4198000000e-03 -2.1605000000e-03 -5.0060000000e-04 -2.2433000000e-03  3.7259000000e-03  1.8606000000e-03
-
-JOB 391
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6268400000e-01  6.4485800000e-01 -6.8842100000e-01 -8.8271100000e-01  1.9943100000e-01  3.1189800000e-01  9.5420900000e-01  2.6927190000e+00  2.1757500000e-01  1.6755860000e+00  2.1585830000e+00  5.5006100000e-01  1.3649330000e+00  3.2859930000e+00 -4.1136400000e-01
-ENERGY -1.526572221858e+02
-FORCES -2.5216000000e-03  1.0657200000e-02 -4.7530000000e-04  3.1520000000e-04 -5.9833000000e-03 -2.1960000000e-04  2.5227000000e-03 -2.1160000000e-03 -1.1167000000e-03  4.4788000000e-03 -2.3122000000e-03  3.0449000000e-03 -2.3405000000e-03  4.1763000000e-03 -2.9162000000e-03 -2.4546000000e-03 -4.4220000000e-03  1.6829000000e-03
-
-JOB 392
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6582700000e-01  1.8195800000e-01 -3.6533100000e-01  4.0491000000e-02  3.3974100000e-01  8.9396200000e-01  2.4481440000e+00  9.0559400000e-01 -1.1298480000e+00  3.3391290000e+00  5.7989700000e-01 -1.2575180000e+00  2.4374530000e+00  1.7547640000e+00 -1.5714680000e+00
-ENERGY -1.526616165090e+02
-FORCES  9.8906000000e-03  3.7686000000e-03 -1.6215000000e-03 -8.2120000000e-03 -2.8217000000e-03  3.6555000000e-03 -6.2800000000e-05 -7.7130000000e-04 -2.5963000000e-03  4.0540000000e-04  1.0739000000e-03 -1.5570000000e-03 -3.7329000000e-03  2.8626000000e-03  8.6100000000e-05  1.7117000000e-03 -4.1121000000e-03  2.0332000000e-03
-
-JOB 393
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.5033300000e-01  7.0905400000e-01 -4.5899300000e-01  2.2163900000e-01  1.3196100000e-01  9.2178900000e-01 -2.3896780000e+00  1.1438500000e+00 -9.3153300000e-01 -1.5614720000e+00  7.1540900000e-01 -7.1532700000e-01 -2.3475340000e+00  1.2841360000e+00 -1.8774590000e+00
-ENERGY -1.526590707390e+02
-FORCES  9.3960000000e-04  3.3271000000e-03  4.2440000000e-03 -6.6464000000e-03 -3.2412000000e-03  1.1480000000e-03  8.5400000000e-05 -4.4290000000e-04 -5.1042000000e-03  8.4995000000e-03 -6.9352000000e-03  2.6462000000e-03 -4.9003000000e-03  7.9070000000e-03 -6.3988000000e-03  2.0221000000e-03 -6.1480000000e-04  3.4648000000e-03
-
-JOB 394
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4128700000e-01  3.4652000000e-02  9.2564100000e-01 -8.3352200000e-01  5.4235000000e-02 -4.6747400000e-01  2.4710050000e+00 -7.7188400000e-01 -9.0263700000e-01  2.9394860000e+00 -1.3480600000e+00 -2.9866800000e-01  1.5463330000e+00 -9.0951500000e-01 -6.9703900000e-01
-ENERGY -1.526581970006e+02
-FORCES  6.4880000000e-04  1.2833000000e-03  1.5218000000e-03  4.2020000000e-04 -3.9370000000e-04 -4.7202000000e-03  4.3857000000e-03 -5.8460000000e-04  2.6546000000e-03 -1.0146000000e-02  1.8127000000e-03  5.2475000000e-03 -2.4265000000e-03  2.2227000000e-03 -9.7480000000e-04  7.1177000000e-03 -4.3405000000e-03 -3.7289000000e-03
-
-JOB 395
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.3446700000e-01  5.1857200000e-01 -3.2844100000e-01 -7.0334400000e-01  1.5365600000e-01 -6.3081600000e-01  2.7255390000e+00 -1.4739140000e+00  1.0104020000e+00  3.6086910000e+00 -1.7685720000e+00  7.8802400000e-01  2.4966030000e+00 -8.5631200000e-01  3.1586100000e-01
-ENERGY -1.526518713084e+02
-FORCES -1.8843000000e-03  3.2617000000e-03 -3.8618000000e-03 -5.7420000000e-04 -4.6858000000e-03  1.6962000000e-03  3.0312000000e-03 -6.6630000000e-04  3.0973000000e-03  9.4200000000e-04  8.3620000000e-04 -3.9381000000e-03 -4.0592000000e-03  1.2058000000e-03  8.9390000000e-04  2.5445000000e-03  4.8300000000e-05  2.1125000000e-03
-
-JOB 396
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2425500000e-01 -5.4134800000e-01  3.1405200000e-01  7.7937100000e-01 -5.3830100000e-01  1.3800200000e-01 -2.6621630000e+00  4.5328300000e-01 -1.8031290000e+00 -3.5948530000e+00  2.4142400000e-01 -1.7652370000e+00 -2.5870750000e+00  1.2892910000e+00 -1.3430370000e+00
-ENERGY -1.526549073491e+02
-FORCES -1.1197000000e-03 -5.1694000000e-03 -2.2800000000e-05  4.0063000000e-03  2.3601000000e-03  1.1281000000e-03 -3.2132000000e-03  1.9906000000e-03 -6.1080000000e-04 -2.1082000000e-03  4.4082000000e-03  1.0355000000e-03  4.3919000000e-03  2.4820000000e-04  4.1320000000e-04 -1.9571000000e-03 -3.8376000000e-03 -1.9431000000e-03
-
-JOB 397
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8859700000e-01  2.5067000000e-01  7.8400800000e-01 -5.7602900000e-01 -6.1377600000e-01 -4.5574400000e-01 -1.8420250000e+00 -1.9394750000e+00 -6.6321900000e-01 -2.1398770000e+00 -2.3588370000e+00  1.4403000000e-01 -2.6363550000e+00 -1.5700350000e+00 -1.0489480000e+00
-ENERGY -1.526591520747e+02
-FORCES -1.1268200000e-02 -1.0315900000e-02 -1.6584000000e-03  1.2102000000e-03 -6.6140000000e-04 -1.5950000000e-03  5.3818000000e-03  7.5861000000e-03  1.8930000000e-04 -3.5640000000e-04  1.3868000000e-03  4.1681000000e-03  2.9640000000e-04  2.9015000000e-03 -4.2219000000e-03  4.7363000000e-03 -8.9690000000e-04  3.1180000000e-03
-
-JOB 398
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6847300000e-01  5.4161800000e-01 -1.7980600000e-01  7.4512700000e-01  5.6993700000e-01 -1.9023600000e-01 -2.2945070000e+00  1.1889080000e+00 -9.9496700000e-01 -2.9862130000e+00  5.7520800000e-01 -1.2422480000e+00 -2.7256940000e+00  1.8147320000e+00 -4.1302700000e-01
-ENERGY -1.526606387963e+02
-FORCES -9.1062000000e-03  6.8982000000e-03 -6.1361000000e-03  8.2955000000e-03 -2.6080000000e-03  6.0599000000e-03 -2.9308000000e-03 -8.8090000000e-04  5.4960000000e-04 -1.9715000000e-03 -3.7507000000e-03  1.6320000000e-04  2.3868000000e-03  4.3636000000e-03  1.6323000000e-03  3.3262000000e-03 -4.0222000000e-03 -2.2689000000e-03
-
-JOB 399
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0523000000e-01 -5.1633900000e-01  3.5085000000e-02  2.7565400000e-01  8.8975400000e-01  2.2042100000e-01 -1.7683050000e+00 -1.7968210000e+00 -1.2231690000e+00 -2.3968800000e+00 -1.6464120000e+00 -5.1712200000e-01 -9.9288000000e-01 -1.2989160000e+00 -9.6425200000e-01
-ENERGY -1.526584988965e+02
-FORCES  2.5720000000e-04  1.9273000000e-03 -8.1260000000e-04 -5.8119000000e-03  1.8509000000e-03 -1.8969000000e-03 -1.6400000000e-05 -4.7280000000e-03  1.4480000000e-04  4.0191000000e-03  9.8843000000e-03  7.4433000000e-03  4.7260000000e-04 -1.4273000000e-03 -2.4199000000e-03  1.0794000000e-03 -7.5072000000e-03 -2.4586000000e-03
-
-JOB 400
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2885400000e-01 -4.7098200000e-01  8.2328900000e-01 -3.7060900000e-01 -5.7747600000e-01 -6.6738500000e-01 -1.3480050000e+00 -1.6961910000e+00 -2.2960610000e+00 -1.2007300000e+00 -2.6352190000e+00 -2.4090510000e+00 -1.6618370000e+00 -1.6090840000e+00 -1.3959760000e+00
-ENERGY -1.526533300816e+02
-FORCES  1.6180000000e-04 -3.9019000000e-03 -2.3541000000e-03 -5.2350000000e-04  1.1645000000e-03 -4.2837000000e-03 -4.4752000000e-03  5.7200000000e-04  7.1405000000e-03 -2.5761000000e-03 -5.7380000000e-03  5.9770000000e-04 -1.1419000000e-03  4.7768000000e-03  7.5190000000e-04  8.5548000000e-03  3.1266000000e-03 -1.8523000000e-03
-
-JOB 401
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7474500000e-01  4.4230300000e-01 -8.0319000000e-01 -5.8753800000e-01 -6.9464000000e-01 -2.9750000000e-01  2.4376900000e+00  1.6625350000e+00 -8.7467500000e-01  3.3041320000e+00  1.9905160000e+00 -1.1153780000e+00  1.8525680000e+00  2.4076630000e+00 -1.0112350000e+00
-ENERGY -1.526547720488e+02
-FORCES  1.9800000000e-03 -7.7110000000e-04 -4.9137000000e-03 -5.3392000000e-03 -3.8040000000e-04  2.9601000000e-03  2.7019000000e-03  2.6916000000e-03  1.1460000000e-03  3.1931000000e-03  4.7720000000e-03  7.4800000000e-05 -3.7930000000e-03 -1.1750000000e-03  1.3566000000e-03  1.2573000000e-03 -5.1372000000e-03 -6.2390000000e-04
-
-JOB 402
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.7278700000e-01  3.4191000000e-01 -8.1262500000e-01 -4.9851600000e-01  4.3244800000e-01  6.9332600000e-01  2.5314780000e+00  8.9148200000e-01  1.3014900000e-01  1.5912120000e+00  7.1636300000e-01  9.1883000000e-02  2.7014880000e+00  1.0891700000e+00  1.0511520000e+00
-ENERGY -1.526582403581e+02
-FORCES  1.4302000000e-03  2.4463000000e-03 -6.7100000000e-04  3.3597000000e-03 -7.6080000000e-04  5.4848000000e-03  4.9903000000e-03 -1.1161000000e-03 -3.9100000000e-03 -1.5750000000e-02 -6.9123000000e-03  1.2388000000e-03  8.2391000000e-03  7.0093000000e-03  1.8060000000e-04 -2.2694000000e-03 -6.6640000000e-04 -2.3232000000e-03
-
-JOB 403
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7414300000e-01  3.1969700000e-01  4.6338800000e-01  2.1705200000e-01 -9.0186600000e-01 -2.3613200000e-01 -2.1128550000e+00  1.4706690000e+00  1.2546070000e+00 -2.0555920000e+00  1.1517260000e+00  2.1552890000e+00 -1.7407000000e+00  7.6480200000e-01  7.2594400000e-01
-ENERGY -1.526598595338e+02
-FORCES  4.2176000000e-03  1.0303000000e-03  1.7568000000e-03 -2.9581000000e-03 -3.2129000000e-03 -2.3381000000e-03 -1.0539000000e-03  4.3821000000e-03  1.9287000000e-03  6.6484000000e-03 -7.4027000000e-03 -2.5086000000e-03  3.2260000000e-04  1.2186000000e-03 -2.5950000000e-03 -7.1765000000e-03  3.9846000000e-03  3.7562000000e-03
-
-JOB 404
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4133500000e-01  7.7680900000e-01 -3.4354600000e-01  8.9293400000e-01  2.9241200000e-01  1.8274400000e-01 -3.7296600000e-01 -2.3358980000e+00  1.3511340000e+00 -1.1609100000e+00 -2.8320860000e+00  1.1293840000e+00 -5.0967200000e-01 -1.4770900000e+00  9.5114500000e-01
-ENERGY -1.526605098046e+02
-FORCES  2.2052000000e-03 -1.3254000000e-03  2.1950000000e-03  2.9368000000e-03 -3.4228000000e-03  1.3965000000e-03 -5.0840000000e-03  2.1880000000e-04 -1.5520000000e-03 -6.9010000000e-04  9.6925000000e-03 -7.2368000000e-03  1.8427000000e-03  2.6810000000e-03 -1.5600000000e-05 -1.2106000000e-03 -7.8441000000e-03  5.2130000000e-03
-
-JOB 405
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.8001500000e-01 -4.5577100000e-01 -4.9606900000e-01 -2.0552600000e-01  9.2857600000e-01 -1.0833500000e-01 -1.8121710000e+00 -1.1004270000e+00 -1.7730980000e+00 -2.2970230000e+00 -2.7517300000e-01 -1.7834170000e+00 -1.3024530000e+00 -1.0894460000e+00 -2.5832210000e+00
-ENERGY -1.526581792179e+02
-FORCES -1.0053000000e-02 -5.3124000000e-03 -8.7097000000e-03  5.3237000000e-03  7.5771000000e-03  5.6584000000e-03 -7.1760000000e-04 -3.2805000000e-03 -1.0390000000e-03  2.6386000000e-03  3.3427000000e-03 -3.2544000000e-03  5.8554000000e-03 -3.2344000000e-03  2.5266000000e-03 -3.0471000000e-03  9.0750000000e-04  4.8180000000e-03
-
-JOB 406
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.5146300000e-01  1.0223000000e-01  2.2324000000e-02 -3.3309900000e-01  8.8524300000e-01 -1.4704600000e-01  7.7587000000e-01  1.1681960000e+00 -2.5029770000e+00  2.1492800000e-01  4.5354100000e-01 -2.8043820000e+00  7.3890400000e-01  1.1158530000e+00 -1.5479240000e+00
-ENERGY -1.526493591154e+02
-FORCES  2.6733000000e-03  3.9300000000e-03 -1.1955000000e-03 -6.0121000000e-03  2.6767000000e-03 -5.0364000000e-03  6.3990000000e-03 -4.2820000000e-03 -5.2609000000e-03 -5.5751000000e-03 -9.6372000000e-03  6.2409000000e-03  2.1544000000e-03  3.7859000000e-03 -1.1386000000e-03  3.6050000000e-04  3.5265000000e-03  6.3905000000e-03
-
-JOB 407
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.6282900000e-01  2.3857200000e-01  3.3888200000e-01  9.2575000000e-02  5.3468000000e-02 -9.5121100000e-01 -1.5584650000e+00  1.7588370000e+00  1.3211860000e+00 -1.1053570000e+00  2.0253730000e+00  2.1211130000e+00 -1.0972310000e+00  9.7023800000e-01  1.0355170000e+00
-ENERGY -1.526582297783e+02
-FORCES -1.8387000000e-03  7.7615000000e-03 -1.5502000000e-03 -5.2193000000e-03 -4.5470000000e-04 -7.1930000000e-04  1.5537000000e-03 -9.4570000000e-04  4.5962000000e-03  8.2121000000e-03 -1.0105800000e-02 -6.4123000000e-03  4.9930000000e-04 -1.9084000000e-03 -3.3773000000e-03 -3.2072000000e-03  5.6530000000e-03  7.4629000000e-03
-
-JOB 408
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2288900000e-01 -4.9272300000e-01  5.3428900000e-01  7.6773600000e-01  1.0501600000e-01  5.6194700000e-01 -2.9211520000e+00 -5.1866900000e-01 -1.7723500000e-01 -3.1128080000e+00 -1.8399400000e-01 -1.0533010000e+00 -2.5790720000e+00 -1.4000930000e+00 -3.2658100000e-01
-ENERGY -1.526555620629e+02
-FORCES -3.3719000000e-03 -1.9670000000e-04  4.2949000000e-03  5.9592000000e-03 -2.0360000000e-03 -1.8961000000e-03 -3.9316000000e-03 -4.3940000000e-04 -1.9252000000e-03  1.5930000000e-03  5.0280000000e-04 -7.1882000000e-03 -9.2280000000e-04 -2.2193000000e-03  3.6370000000e-03  6.7420000000e-04  4.3885000000e-03  3.0777000000e-03
-
-JOB 409
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.7222400000e-01  1.6704400000e-01  8.6589700000e-01 -7.7613200000e-01  5.5883300000e-01 -3.9463000000e-02  3.1156800000e-01 -1.3522150000e+00 -2.1099660000e+00 -4.5110900000e-01 -1.3547460000e+00 -2.6883690000e+00  7.3840000000e-02 -7.5350600000e-01 -1.4019650000e+00
-ENERGY -1.526533408617e+02
-FORCES  5.0405000000e-03 -9.9916000000e-03 -1.1564800000e-02 -4.2278000000e-03  1.1952000000e-03 -3.5078000000e-03  4.4124000000e-03 -4.2871000000e-03 -1.4692000000e-03 -1.0918000000e-03  9.7955000000e-03  1.7955500000e-02  9.3090000000e-04  2.4322000000e-03  4.2984000000e-03 -5.0642000000e-03  8.5600000000e-04 -5.7120000000e-03
-
-JOB 410
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6943100000e-01 -2.2774100000e-01  8.8981600000e-01  5.4549000000e-01 -5.4853200000e-01 -5.6372400000e-01 -1.6040360000e+00 -1.7540200000e-01 -3.3227300000e+00 -2.0444910000e+00  5.8539400000e-01 -3.7014390000e+00 -2.2381460000e+00 -8.8726000000e-01 -3.4087210000e+00
-ENERGY -1.526540496190e+02
-FORCES  3.2805000000e-03 -3.2651000000e-03 -2.8600000000e-04 -1.4239000000e-03  9.5220000000e-04 -3.6552000000e-03 -1.3448000000e-03  1.9188000000e-03  3.7602000000e-03 -5.0196000000e-03  1.0562000000e-03 -8.6810000000e-04  1.7043000000e-03 -3.2940000000e-03  1.0089000000e-03  2.8035000000e-03  2.6319000000e-03  4.0200000000e-05
-
-JOB 411
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2838900000e-01 -4.7783600000e-01  4.0934000000e-02 -2.6833700000e-01 -6.2980000000e-02 -9.1665700000e-01  7.4243800000e-01  2.6372980000e+00 -2.1645200000e-01  1.2876160000e+00  2.8124470000e+00 -9.8348200000e-01  6.5958500000e-01  1.6839650000e+00 -1.9354500000e-01
-ENERGY -1.526577641593e+02
-FORCES -4.2410000000e-04 -1.3929000000e-03 -2.3803000000e-03 -3.7588000000e-03  5.8531000000e-03 -1.4344000000e-03  4.0173000000e-03  2.7369000000e-03  5.1252000000e-03 -3.0298000000e-03 -1.2926000000e-02  1.4017000000e-03 -2.3250000000e-03 -3.1609000000e-03  2.1489000000e-03  5.5204000000e-03  8.8898000000e-03 -4.8612000000e-03
-
-JOB 412
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.9359300000e-01 -6.5947600000e-01 -1.5872000000e-02  2.5964000000e-02  3.4252700000e-01 -8.9343900000e-01  1.7124860000e+00 -1.1197110000e+00  1.6743700000e+00  1.2396630000e+00 -4.2533200000e-01  1.2155580000e+00  2.0847070000e+00 -1.6584130000e+00  9.7617000000e-01
-ENERGY -1.526581464799e+02
-FORCES  3.4926000000e-03 -5.8728000000e-03  4.0845000000e-03  3.2728000000e-03  3.8888000000e-03 -1.8516000000e-03 -4.6310000000e-04 -3.3299000000e-03  3.9444000000e-03 -8.8078000000e-03  6.8153000000e-03 -1.3887000000e-02  3.1983000000e-03 -1.8634000000e-03  5.7400000000e-03 -6.9280000000e-04  3.6200000000e-04  1.9697000000e-03
-
-JOB 413
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.2963500000e-01 -7.9652900000e-01 -3.5509000000e-02 -4.5540300000e-01  2.3104000000e-02 -8.4160900000e-01 -1.2138930000e+00 -8.3882000000e-01  2.1757880000e+00 -6.7066200000e-01 -5.3814500000e-01  1.4472780000e+00 -2.0783050000e+00 -9.7820600000e-01  1.7890130000e+00
-ENERGY -1.526556647796e+02
-FORCES -6.9326000000e-03 -4.3369000000e-03  4.2592000000e-03 -6.3703000000e-03  4.2315000000e-03  3.6631000000e-03  2.9665000000e-03 -1.0953000000e-03  4.1281000000e-03  5.2505000000e-03  8.7032000000e-03 -1.8154600000e-02  3.0527000000e-03 -7.5738000000e-03  5.5403000000e-03  2.0331000000e-03  7.1200000000e-05  5.6400000000e-04
-
-JOB 414
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1616200000e-01 -1.5540000000e-02  2.7683400000e-01  3.7912000000e-02  1.2500000000e-01 -9.4824500000e-01 -3.9786000000e-01  2.5858620000e+00 -2.7209300000e-01 -4.3504000000e-02  2.9934490000e+00 -1.0623690000e+00 -1.6561000000e-02  1.7079290000e+00 -2.6323900000e-01
-ENERGY -1.526502314896e+02
-FORCES -8.3000000000e-05  4.4774000000e-03 -2.3009000000e-03 -6.2713000000e-03  4.4819000000e-03 -2.6946000000e-03  8.3120000000e-04  8.4756000000e-03  7.9074000000e-03  2.0445000000e-03 -1.5822900000e-02  3.8939000000e-03 -4.1270000000e-04 -5.6401000000e-03  2.3082000000e-03  3.8914000000e-03  4.0280000000e-03 -9.1140000000e-03
-
-JOB 415
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4992600000e-01 -7.8024700000e-01 -4.3011500000e-01  4.6867300000e-01  4.6593700000e-01 -6.9244500000e-01  2.1976310000e+00 -1.6670850000e+00 -3.0747500000e-01  3.0892710000e+00 -1.4898350000e+00 -7.8230000000e-03  1.6595610000e+00 -1.0148350000e+00  1.4117000000e-01
-ENERGY -1.526597943791e+02
-FORCES -2.7790000000e-04 -3.1888000000e-03 -7.8427000000e-03  3.1574000000e-03  4.0480000000e-03  3.4681000000e-03  3.4800000000e-05 -3.2316000000e-03  5.4678000000e-03 -5.7278000000e-03  6.0494000000e-03  5.1108000000e-03 -4.0867000000e-03  1.3478000000e-03 -6.2980000000e-04  6.9002000000e-03 -5.0249000000e-03 -5.5741000000e-03
-
-JOB 416
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.4855000000e-01 -4.1725000000e-02 -9.4468200000e-01 -7.8063300000e-01  4.3190700000e-01  3.4684400000e-01  1.3869990000e+00 -1.9380100000e-01 -2.4290760000e+00  8.4799300000e-01 -1.5975100000e-01 -3.2193570000e+00  1.8522940000e+00 -1.0279540000e+00 -2.4916910000e+00
-ENERGY -1.526560890528e+02
-FORCES  2.2353000000e-03  7.7740000000e-04 -7.2306000000e-03 -6.4863000000e-03  1.8270000000e-04  5.6211000000e-03  3.1277000000e-03 -1.2897000000e-03 -3.1162000000e-03  3.2521000000e-03 -3.7981000000e-03 -7.5740000000e-04  2.3870000000e-04 -3.0200000000e-05  6.2342000000e-03 -2.3675000000e-03  4.1580000000e-03 -7.5100000000e-04
-
-JOB 417
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9713600000e-01 -1.8794400000e-01 -7.9609300000e-01 -9.1171100000e-01 -1.6174300000e-01 -2.4259800000e-01 -2.3346660000e+00 -9.5964300000e-01  6.5531200000e-01 -2.8918730000e+00 -1.7378940000e+00  6.4651900000e-01 -2.5033170000e+00 -5.5332900000e-01  1.5054290000e+00
-ENERGY -1.526569528037e+02
-FORCES -1.1571900000e-02 -6.2154000000e-03  1.4150000000e-03 -3.3561000000e-03 -8.6740000000e-04  2.2741000000e-03  5.7777000000e-03  4.8710000000e-03 -2.3328000000e-03  7.4333000000e-03  1.5295000000e-03  1.7313000000e-03  2.5792000000e-03  3.3296000000e-03  1.1115000000e-03 -8.6220000000e-04 -2.6472000000e-03 -4.1991000000e-03
-
-JOB 418
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6529000000e-01 -3.8010600000e-01 -4.3137300000e-01  7.4766400000e-01 -3.5674700000e-01 -4.7954400000e-01  2.3962510000e+00  1.3397720000e+00  1.1525990000e+00  2.0090850000e+00  1.0172310000e+00  3.3878000000e-01  3.0228330000e+00  2.0069270000e+00  8.7236500000e-01
-ENERGY -1.526520129048e+02
-FORCES -1.7900000000e-03 -4.3447000000e-03 -2.9517000000e-03  3.4145000000e-03  1.5967000000e-03  2.3928000000e-03 -5.4500000000e-04  6.4248000000e-03  3.2359000000e-03 -2.5750000000e-03  1.8588000000e-03 -3.9728000000e-03  4.4494000000e-03 -2.7053000000e-03  2.2940000000e-04 -2.9539000000e-03 -2.8302000000e-03  1.0663000000e-03
-
-JOB 419
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0337100000e-01  9.0597700000e-01 -5.8335000000e-02  8.3834600000e-01  5.6690000000e-02  4.5847000000e-01  1.8421080000e+00 -2.3634980000e+00 -1.7886730000e+00  2.0988760000e+00 -3.1631590000e+00 -2.2478510000e+00  1.1627030000e+00 -2.6459540000e+00 -1.1764160000e+00
-ENERGY -1.526554599314e+02
-FORCES  2.8820000000e-03  4.8291000000e-03  3.7580000000e-04  1.1916000000e-03 -3.4714000000e-03  5.8810000000e-04 -4.1837000000e-03 -4.9890000000e-04 -9.8040000000e-04 -3.2710000000e-03 -3.7681000000e-03  6.3200000000e-04 -1.1337000000e-03  3.3526000000e-03  1.7651000000e-03  4.5147000000e-03 -4.4320000000e-04 -2.3806000000e-03
-
-JOB 420
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.6044600000e-01  3.1224200000e-01  8.6654700000e-01  6.2196300000e-01 -6.9958200000e-01 -1.9994800000e-01  1.3485680000e+00  1.8087940000e+00 -1.5288540000e+00  7.5552700000e-01  1.7058430000e+00 -7.8458600000e-01  9.7388200000e-01  1.2537940000e+00 -2.2128250000e+00
-ENERGY -1.526552724092e+02
-FORCES  9.0249000000e-03  3.9040000000e-04 -2.3564000000e-03 -5.7450000000e-04  1.4783000000e-03 -6.1764000000e-03 -3.8124000000e-03  2.5508000000e-03  9.4970000000e-04 -1.1386500000e-02 -1.1653500000e-02  5.6074000000e-03  3.7048000000e-03  5.8454000000e-03  1.9918000000e-03  3.0438000000e-03  1.3886000000e-03 -1.6100000000e-05
-
-JOB 421
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6558500000e-01  5.7454200000e-01 -3.6790000000e-03  1.0726500000e-01 -2.6274600000e-01 -9.1416100000e-01 -3.8891800000e-01 -2.1666580000e+00  1.8088950000e+00 -9.0148400000e-01 -1.4285590000e+00  2.1386190000e+00  1.6069100000e-01 -1.7893660000e+00  1.1220080000e+00
-ENERGY -1.526574416198e+02
-FORCES -4.8024000000e-03 -4.2330000000e-04 -1.3593000000e-03  3.5020000000e-03 -2.5833000000e-03  1.3780000000e-04 -3.6050000000e-04  2.6900000000e-04  5.0770000000e-03  9.8880000000e-04  1.2239100000e-02 -6.5989000000e-03 -5.6400000000e-04 -2.6718000000e-03  1.0915000000e-03  1.2360000000e-03 -6.8295000000e-03  1.6519000000e-03
-
-JOB 422
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.6486700000e-01 -4.6331900000e-01  7.5394900000e-01 -2.7294700000e-01  9.0930900000e-01  1.2201800000e-01  1.9460600000e+00  3.6370300000e-01  2.0015320000e+00  1.2076610000e+00 -1.2569900000e-01  2.3641410000e+00  1.7192460000e+00  4.9297000000e-01  1.0806210000e+00
-ENERGY -1.526541014885e+02
-FORCES -2.4465000000e-03  1.1698000000e-03  6.2680000000e-03  4.0302000000e-03  2.6872000000e-03 -1.2377000000e-03  4.1520000000e-03 -4.7460000000e-03  3.5580000000e-04 -8.5871000000e-03 -4.2460000000e-03 -9.8875000000e-03 -2.2200000000e-04  1.0814000000e-03 -5.9070000000e-04  3.0734000000e-03  4.0537000000e-03  5.0921000000e-03
-
-JOB 423
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1092600000e-01 -2.0364800000e-01  6.0773600000e-01 -2.8669400000e-01  7.9673300000e-01 -4.4638000000e-01  4.4584700000e-01 -3.4758020000e+00  5.3712100000e-01  7.8055500000e-01 -4.2116300000e+00  2.4520000000e-02 -3.7482600000e-01 -3.7971010000e+00  9.1061000000e-01
-ENERGY -1.526523534154e+02
-FORCES -4.0426000000e-03  1.1663000000e-03  1.2666000000e-03  2.2444000000e-03  1.6671000000e-03 -2.3443000000e-03  1.4279000000e-03 -3.5478000000e-03  1.6009000000e-03 -1.3395000000e-03 -4.2311000000e-03 -1.5678000000e-03 -1.3878000000e-03  2.8797000000e-03  2.3164000000e-03  3.0976000000e-03  2.0658000000e-03 -1.2718000000e-03
-
-JOB 424
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.6319300000e-01  8.6970800000e-01 -3.6497500000e-01  8.4469100000e-01 -4.4661200000e-01 -5.7151000000e-02  1.7147010000e+00 -1.7427140000e+00 -9.8589500000e-01  1.2550710000e+00 -1.5948250000e+00 -1.8123950000e+00  1.5322670000e+00 -2.6572640000e+00 -7.7014600000e-01
-ENERGY -1.526583015085e+02
-FORCES  1.2320700000e-02 -9.1302000000e-03 -3.7902000000e-03  6.6080000000e-04 -4.2331000000e-03 -6.5990000000e-04 -5.9292000000e-03  6.9529000000e-03  1.8796000000e-03 -1.0772400000e-02  2.5576000000e-03  3.9140000000e-04  3.2999000000e-03 -5.3800000000e-04  3.8629000000e-03  4.2020000000e-04  4.3908000000e-03 -1.6839000000e-03
-
-JOB 425
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9600000000e-03  9.5716700000e-01  6.2550000000e-03  6.5252300000e-01 -2.3229700000e-01 -6.6066900000e-01  1.4865970000e+00 -1.9987900000e+00 -1.5250830000e+00  1.9154520000e+00 -2.7368960000e+00 -1.0920540000e+00  6.4664700000e-01 -2.3494120000e+00 -1.8213580000e+00
-ENERGY -1.526604413120e+02
-FORCES  5.4094000000e-03 -1.4859000000e-03 -3.6162000000e-03  9.6360000000e-04 -3.7923000000e-03 -7.7250000000e-04 -6.7384000000e-03  6.3562000000e-03  3.1530000000e-03 -1.9870000000e-03 -5.4472000000e-03  2.9296000000e-03 -2.0349000000e-03  2.2288000000e-03 -2.8390000000e-03  4.3872000000e-03  2.1404000000e-03  1.1450000000e-03
-
-JOB 426
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.7899400000e-01  2.7460100000e-01 -4.8373000000e-01  2.6723600000e-01  2.3935000000e-02  9.1882700000e-01  2.3748980000e+00 -8.0556000000e-02 -2.1490770000e+00  2.9530810000e+00  3.5847000000e-01 -2.7729300000e+00  1.4917730000e+00  1.5356500000e-01 -2.4345730000e+00
-ENERGY -1.526569804629e+02
-FORCES  6.8504000000e-03  1.1440000000e-04  2.5236000000e-03 -7.3448000000e-03  8.2700000000e-05 -9.2690000000e-04 -1.5056000000e-03  7.7300000000e-05 -3.0980000000e-03  4.5960000000e-04  1.5911000000e-03 -6.6740000000e-03 -2.7557000000e-03 -2.3951000000e-03  2.4412000000e-03  4.2961000000e-03  5.2960000000e-04  5.7342000000e-03
-
-JOB 427
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4955000000e-02  9.5425900000e-01 -1.6530000000e-03 -7.1000500000e-01 -2.9550900000e-01  5.6991200000e-01 -5.0991200000e-01 -1.8407600000e-01  3.2044000000e+00  2.8698000000e-01  8.1388000000e-02  3.6634460000e+00 -7.5889400000e-01 -1.0120920000e+00  3.6150440000e+00
-ENERGY -1.526570089623e+02
-FORCES -3.5611000000e-03  2.6233000000e-03  6.5648000000e-03  7.8560000000e-04 -3.0661000000e-03 -9.0150000000e-04  1.2848000000e-03 -8.5700000000e-05 -6.1468000000e-03  4.5220000000e-03 -1.8977000000e-03  3.7275000000e-03 -3.8892000000e-03 -1.0176000000e-03 -8.7510000000e-04  8.5800000000e-04  3.4439000000e-03 -2.3689000000e-03
-
-JOB 428
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0140900000e-01 -1.5140000000e-01  8.5567500000e-01  8.7887000000e-01  3.2174000000e-01  2.0075600000e-01  4.0879900000e-01 -1.5068290000e+00  2.7822720000e+00  6.0626100000e-01 -2.0816460000e+00  3.5217490000e+00 -5.4637900000e-01 -1.4451060000e+00  2.7746670000e+00
-ENERGY -1.526546818593e+02
-FORCES  4.8031000000e-03 -1.3152000000e-03  6.8091000000e-03 -2.6314000000e-03  5.8860000000e-04 -2.6138000000e-03 -3.2749000000e-03  1.8840000000e-04 -2.5672000000e-03 -2.4930000000e-03 -4.1404000000e-03  3.7986000000e-03 -9.0440000000e-04  2.4294000000e-03 -3.3435000000e-03  4.5006000000e-03  2.2493000000e-03 -2.0832000000e-03
-
-JOB 429
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4942100000e-01  5.8897300000e-01 -6.0610500000e-01  2.9256300000e-01  5.6728500000e-01  7.1332000000e-01 -2.1045880000e+00  1.8532180000e+00  9.2122600000e-01 -2.4952120000e+00  1.0274130000e+00  6.3541200000e-01 -2.7977500000e+00  2.5018000000e+00  7.9834700000e-01
-ENERGY -1.526581137698e+02
-FORCES -1.7024000000e-03  9.2349000000e-03  2.5036000000e-03  4.4380000000e-04 -4.6683000000e-03  3.0270000000e-04  1.1209000000e-03 -4.0472000000e-03 -2.5453000000e-03 -4.2649000000e-03 -2.5745000000e-03  2.1540000000e-04  1.1937000000e-03  5.4998000000e-03 -2.5360000000e-04  3.2090000000e-03 -3.4447000000e-03 -2.2290000000e-04
-
-JOB 430
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4888800000e-01 -6.4372000000e-01 -6.1654900000e-01  7.7483500000e-01  4.2853300000e-01  3.6362300000e-01 -1.0478260000e+00  8.9995400000e-01  2.7168970000e+00 -2.5771300000e-01  1.2932060000e+00  3.0874460000e+00 -9.2723600000e-01  9.6610300000e-01  1.7696300000e+00
-ENERGY -1.526559149184e+02
-FORCES  4.0589000000e-03 -3.8262000000e-03 -1.5238000000e-03 -4.3430000000e-04  3.0751000000e-03  2.7352000000e-03 -5.3520000000e-03 -2.6630000000e-04 -1.4460000000e-04  2.4169000000e-03 -7.4870000000e-04 -5.2625000000e-03 -2.1253000000e-03 -1.8108000000e-03 -2.3894000000e-03  1.4358000000e-03  3.5769000000e-03  6.5852000000e-03
-
-JOB 431
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4364600000e-01 -4.6305000000e-02 -8.4691600000e-01  3.7850000000e-01  8.7883400000e-01  2.4916000000e-02 -1.1035330000e+00  2.5943550000e+00 -1.0574200000e+00 -1.2003540000e+00  1.9355990000e+00 -1.7450960000e+00 -1.5187960000e+00  2.2022410000e+00 -2.8928200000e-01
-ENERGY -1.526545667077e+02
-FORCES  1.2730000000e-03  6.6019000000e-03 -5.1865000000e-03 -8.4120000000e-04  1.2003000000e-03  2.2692000000e-03 -2.0763000000e-03 -5.0592000000e-03  2.0137000000e-03 -4.0621000000e-03 -5.3696000000e-03  1.0773000000e-03  2.2760000000e-03  4.6090000000e-04  3.6486000000e-03  3.4307000000e-03  2.1657000000e-03 -3.8224000000e-03
-
-JOB 432
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.9606500000e-01  5.9095200000e-01  6.4042200000e-01 -3.2186400000e-01  5.7730700000e-01 -6.9235300000e-01 -5.3588900000e-01  8.2403500000e-01 -2.6086670000e+00 -1.5330000000e-03  1.4474290000e+00 -3.1006800000e+00 -9.7282900000e-01  3.0013500000e-01 -3.2801160000e+00
-ENERGY -1.526593468304e+02
-FORCES -1.7428000000e-03  4.2991000000e-03 -8.3147000000e-03 -1.0868000000e-03 -9.5320000000e-04 -3.5467000000e-03  1.6268000000e-03 -7.2480000000e-04  9.3746000000e-03  1.3539000000e-03 -3.2257000000e-03 -1.1306000000e-03 -2.7117000000e-03 -2.8200000000e-03  2.0471000000e-03  2.5606000000e-03  3.4246000000e-03  1.5702000000e-03
-
-JOB 433
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6697900000e-01  8.2709900000e-01  1.1861400000e-01 -9.0980800000e-01  2.5733600000e-01 -1.4919600000e-01 -2.2894430000e+00  1.2932310000e+00  7.4575000000e-02 -3.0077690000e+00  6.6081000000e-01  5.7769000000e-02 -2.7181210000e+00  2.1400840000e+00  1.9829600000e-01
-ENERGY -1.526553187093e+02
-FORCES -1.3109000000e-02  1.3698200000e-02  1.4131000000e-03  7.3910000000e-04 -2.2079000000e-03 -2.2680000000e-04 -1.6450000000e-03 -7.1977000000e-03 -1.2114000000e-03  7.6305000000e-03 -2.3766000000e-03  6.5270000000e-04  5.6609000000e-03  2.8351000000e-03 -5.7700000000e-04  7.2340000000e-04 -4.7512000000e-03 -5.0500000000e-05
-
-JOB 434
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0322800000e-01  1.2476000000e-02  8.1414900000e-01 -9.1221900000e-01  7.3276000000e-02  2.8056800000e-01  1.3614180000e+00 -1.2932400000e-01  2.3390760000e+00  1.4597530000e+00  8.0377200000e-01  2.1496190000e+00  2.1625070000e+00 -3.6491900000e-01  2.8070310000e+00
-ENERGY -1.526559371248e+02
-FORCES  3.7548000000e-03 -4.8465000000e-03  1.1425900000e-02 -1.3130000000e-03  1.0315900000e-02 -2.2766000000e-03  3.2158000000e-03  3.5160000000e-04 -1.8220000000e-04  1.9886000000e-03 -7.6570000000e-04 -3.7803000000e-03 -3.6458000000e-03 -7.9628000000e-03 -3.9306000000e-03 -4.0003000000e-03  2.9075000000e-03 -1.2562000000e-03
-
-JOB 435
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4595200000e-01 -2.4342700000e-01 -5.4820700000e-01  7.6701700000e-01 -1.9097800000e-01 -5.3985600000e-01 -2.7386110000e+00  1.2297000000e-02  1.2988920000e+00 -2.5659750000e+00  9.5107500000e-01  1.3704820000e+00 -2.6449500000e+00 -1.7844900000e-01  3.6557800000e-01
-ENERGY -1.526503491430e+02
-FORCES -9.0000000000e-05 -3.0170000000e-03 -3.5869000000e-03 -3.5530000000e-04  2.1587000000e-03  2.4607000000e-03 -3.7283000000e-03  7.7660000000e-04  3.0227000000e-03  4.8878000000e-03  4.0002000000e-03 -2.6100000000e-03 -2.5593000000e-03 -3.7586000000e-03 -2.4740000000e-04  1.8450000000e-03 -1.5980000000e-04  9.6090000000e-04
-
-JOB 436
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.3257100000e-01  7.1396500000e-01 -7.9623000000e-02 -5.3839000000e-02 -3.7221100000e-01 -8.8022300000e-01  4.6812500000e-01 -1.6430450000e+00 -2.3300610000e+00  6.7701100000e-01 -2.5770580000e+00 -2.3152780000e+00  7.3268800000e-01 -1.3517420000e+00 -3.2026320000e+00
-ENERGY -1.526601433310e+02
-FORCES  3.6149000000e-03 -3.8575000000e-03 -8.4342000000e-03 -1.9293000000e-03 -2.0077000000e-03 -9.6300000000e-05 -2.3102000000e-03  6.4174000000e-03  6.2134000000e-03  1.8622000000e-03 -3.3973000000e-03  2.2100000000e-05 -4.4870000000e-04  4.1790000000e-03 -2.0768000000e-03 -7.8890000000e-04 -1.3339000000e-03  4.3717000000e-03
-
-JOB 437
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.9606000000e-02 -6.7089600000e-01 -6.7543300000e-01 -6.0691600000e-01  6.9336200000e-01 -2.5910200000e-01 -7.9895100000e-01  1.4134950000e+00  2.6171630000e+00 -3.3983900000e-01  7.8104000000e-01  2.0644890000e+00 -8.2269700000e-01  2.2155420000e+00  2.0952550000e+00
-ENERGY -1.526583175365e+02
-FORCES -3.0686000000e-03 -1.8996000000e-03 -5.0730000000e-03  5.2800000000e-05  3.6992000000e-03  2.1983000000e-03  3.5052000000e-03 -2.3943000000e-03  2.7837000000e-03  3.8819000000e-03 -1.9730000000e-03 -5.3208000000e-03 -3.5782000000e-03  5.7612000000e-03  4.7151000000e-03 -7.9320000000e-04 -3.1935000000e-03  6.9670000000e-04
-
-JOB 438
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3245200000e-01  4.4687000000e-02 -2.1158700000e-01 -3.7467900000e-01 -5.5622000000e-01 -6.8298400000e-01  7.5005700000e-01  2.5851530000e+00 -1.4451650000e+00  1.1415460000e+00  2.6531010000e+00 -5.7433100000e-01  1.3460140000e+00  2.0163060000e+00 -1.9324840000e+00
-ENERGY -1.526503389206e+02
-FORCES  1.0366000000e-03  1.2860000000e-03 -6.5652000000e-03 -2.1425000000e-03  6.6410000000e-04  1.0637000000e-03  1.9608000000e-03  1.5492000000e-03  2.9917000000e-03  1.1669000000e-03 -4.1941000000e-03  4.1881000000e-03  2.0150000000e-04 -2.6200000000e-04 -4.1843000000e-03 -2.2233000000e-03  9.5680000000e-04  2.5060000000e-03
-
-JOB 439
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1724000000e-02  6.7998000000e-01 -6.7294400000e-01 -7.2513500000e-01  2.5882100000e-01  5.6870300000e-01 -1.8986350000e+00 -1.0222800000e+00  2.3792590000e+00 -1.1790590000e+00 -4.7105000000e-01  2.6868120000e+00 -1.5813560000e+00 -1.9178900000e+00  2.4952240000e+00
-ENERGY -1.526567161499e+02
-FORCES -4.8417000000e-03  2.2076000000e-03 -6.8020000000e-04 -5.5120000000e-04 -2.7235000000e-03  2.9112000000e-03  6.4165000000e-03  1.9469000000e-03 -1.2484000000e-03  4.8728000000e-03 -4.6624000000e-03  2.3901000000e-03 -3.8705000000e-03 -5.7850000000e-04 -4.0660000000e-03 -2.0260000000e-03  3.8099000000e-03  6.9320000000e-04
-
-JOB 440
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.5752100000e-01 -5.7355400000e-01 -1.1588500000e-01 -2.0757500000e-01  3.0482800000e-01 -8.8330300000e-01  1.3311640000e+00  2.3289590000e+00  1.2543580000e+00  4.4510900000e-01  2.1073940000e+00  9.6791900000e-01  1.2028410000e+00  2.8924740000e+00  2.0173880000e+00
-ENERGY -1.526574610855e+02
-FORCES  5.9419000000e-03 -2.3697000000e-03 -2.7374000000e-03 -4.3487000000e-03  1.0934000000e-03 -6.9070000000e-04  7.6200000000e-04  2.4610000000e-04  4.7442000000e-03 -5.5744000000e-03 -3.0178000000e-03  1.1290000000e-04  3.3689000000e-03  6.8898000000e-03  1.4854000000e-03 -1.4960000000e-04 -2.8417000000e-03 -2.9145000000e-03
-
-JOB 441
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.3656100000e-01 -2.0484700000e-01 -5.7597600000e-01  5.9395900000e-01 -7.4447100000e-01 -9.5956000000e-02 -1.4644310000e+00 -1.0591890000e+00 -2.0646210000e+00 -1.0154660000e+00 -1.8442830000e+00 -1.7511110000e+00 -9.3938000000e-01 -7.6329100000e-01 -2.8082590000e+00
-ENERGY -1.526562587767e+02
-FORCES -7.9804000000e-03 -6.1979000000e-03 -1.1459700000e-02  5.9821000000e-03  4.7520000000e-04  6.8478000000e-03 -2.3893000000e-03  1.0771000000e-03 -9.2260000000e-04  6.8414000000e-03  1.3200000000e-05 -4.2000000000e-04 -2.0760000000e-04  6.7719000000e-03  1.3323000000e-03 -2.2462000000e-03 -2.1396000000e-03  4.6222000000e-03
-
-JOB 442
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.0459300000e-01 -1.2131200000e-01  2.8848900000e-01 -5.1123000000e-02 -4.6867100000e-01 -8.3304600000e-01  2.9494850000e+00 -2.8218000000e-02 -9.4373000000e-02  3.8920230000e+00  9.9898000000e-02  1.2590000000e-02  2.8253260000e+00 -9.7401400000e-01 -1.5096000000e-02
-ENERGY -1.526561542562e+02
-FORCES  7.8441000000e-03  1.3797000000e-03 -3.1317000000e-03 -5.3865000000e-03 -5.4976000000e-03  1.0840000000e-04  5.5000000000e-05  5.8270000000e-04  3.2956000000e-03  4.9293000000e-03 -1.1131000000e-03  5.4780000000e-04 -4.1777000000e-03 -1.4989000000e-03 -1.2158000000e-03 -3.2643000000e-03  6.1472000000e-03  3.9580000000e-04
-
-JOB 443
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1862400000e-01 -5.5015000000e-02 -8.0264200000e-01  9.0873800000e-01 -4.3560000000e-03 -3.0068000000e-01  2.2953990000e+00  3.9299700000e-01 -1.3768220000e+00  2.5179690000e+00 -5.1721200000e-01 -1.1813400000e+00  1.9938640000e+00  3.7656500000e-01 -2.2851390000e+00
-ENERGY -1.526539779574e+02
-FORCES  1.2839000000e-02  5.4034000000e-03 -1.1301000000e-02  1.5382000000e-03 -2.5620000000e-04  1.6878000000e-03 -2.2468000000e-03 -8.6221000000e-03  4.3738000000e-03 -5.5286000000e-03 -1.8922000000e-03 -2.2852000000e-03 -7.3597000000e-03  6.0801000000e-03  2.2110000000e-03  7.5780000000e-04 -7.1310000000e-04  5.3135000000e-03
-
-JOB 444
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6751800000e-01  6.1111000000e-02 -3.9988700000e-01  1.2540100000e-01 -9.3545900000e-01  1.5944700000e-01  3.2282370000e+00 -9.3391000000e-02  4.9135300000e-01  2.6787930000e+00 -8.5576200000e-01  3.0932600000e-01  2.8070640000e+00  6.2438200000e-01  1.8441000000e-02
-ENERGY -1.526554877395e+02
-FORCES -5.0339000000e-03 -3.4961000000e-03 -2.2500000000e-04  3.9375000000e-03 -3.1630000000e-04  1.9340000000e-03  1.4901000000e-03  3.9885000000e-03 -1.4590000000e-03 -6.8363000000e-03  1.5262000000e-03 -3.1415000000e-03  1.7981000000e-03  6.0090000000e-04  1.3010000000e-03  4.6444000000e-03 -2.3032000000e-03  1.5904000000e-03
-
-JOB 445
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.7021700000e-01  2.6820200000e-01  2.9499500000e-01  5.9106900000e-01  3.0338600000e-01  6.8907600000e-01  7.7886500000e-01 -2.3754570000e+00  2.0519580000e+00  1.2457960000e+00 -2.1061120000e+00  1.2609710000e+00  1.2335460000e+00 -1.9254760000e+00  2.7640060000e+00
-ENERGY -1.526543311957e+02
-FORCES -3.6079000000e-03  1.0753000000e-03  5.9445000000e-03  3.6589000000e-03  1.7060000000e-04 -1.8538000000e-03 -5.9800000000e-04 -2.0421000000e-03 -3.1066000000e-03  2.6897000000e-03  2.4474000000e-03 -2.9393000000e-03  1.9900000000e-04 -1.1366000000e-03  5.3750000000e-03 -2.3418000000e-03 -5.1470000000e-04 -3.4198000000e-03
-
-JOB 446
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.3839500000e-01  1.6941900000e-01 -8.3334000000e-02 -3.3146500000e-01  3.8761000000e-02 -8.9714000000e-01  1.8507840000e+00  1.6534420000e+00  1.9945260000e+00  2.0347190000e+00  7.2051400000e-01  1.8847740000e+00  9.7843100000e-01  1.7718870000e+00  1.6187570000e+00
-ENERGY -1.526564168647e+02
-FORCES  1.8648000000e-03 -2.8350000000e-04 -5.9665000000e-03 -4.3195000000e-03 -5.6080000000e-04  3.2161000000e-03  1.7207000000e-03 -1.6300000000e-05  4.0363000000e-03 -5.7673000000e-03 -3.8245000000e-03  1.5590000000e-04  2.9540000000e-04  3.8089000000e-03 -2.5006000000e-03  6.2059000000e-03  8.7610000000e-04  1.0588000000e-03
-
-JOB 447
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8863800000e-01 -2.9948800000e-01  6.9285200000e-01 -4.5393000000e-02 -6.8557000000e-01 -6.6645700000e-01  1.7937000000e+00 -1.8492340000e+00 -1.0520700000e-01  1.8921010000e+00 -1.6553250000e+00 -1.0373810000e+00  1.0241480000e+00 -1.3478420000e+00  1.6428800000e-01
-ENERGY -1.526424600829e+02
-FORCES  5.9075000000e-03 -9.9660000000e-03 -1.5188000000e-03  7.7626000000e-03 -1.2154000000e-03 -3.6988000000e-03  1.2629800000e-02 -3.5961000000e-03  9.8456000000e-03 -1.0943200000e-02  2.0350700000e-02  9.6000000000e-04 -3.8305000000e-03 -6.2200000000e-04  2.8359000000e-03 -1.1526200000e-02 -4.9511000000e-03 -8.4239000000e-03
-
-JOB 448
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.0989700000e-01 -4.2448600000e-01 -6.8996300000e-01  8.3850300000e-01 -4.6166800000e-01 -2.6990000000e-03 -7.3547700000e-01 -8.5310800000e-01  2.2931450000e+00 -7.5962100000e-01 -3.9066600000e-01  1.4554130000e+00 -1.5101270000e+00 -5.4193000000e-01  2.7614580000e+00
-ENERGY -1.526577013806e+02
-FORCES  8.2410000000e-04 -8.1926000000e-03  1.0459400000e-02  1.7075000000e-03  1.5328000000e-03  5.5860000000e-03 -4.9177000000e-03  2.4067000000e-03 -1.8368000000e-03  5.7683000000e-03  7.9606000000e-03 -1.7242600000e-02 -5.3029000000e-03 -4.4287000000e-03  7.9098000000e-03  1.9207000000e-03  7.2120000000e-04 -4.8757000000e-03
-
-JOB 449
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.7969100000e-01  1.9600200000e-01  8.9419700000e-01 -4.2429900000e-01 -8.5567800000e-01  6.3376000000e-02  9.2566700000e-01 -2.1078640000e+00  1.4057790000e+00  8.1366900000e-01 -3.0584830000e+00  1.4093190000e+00  1.7951140000e+00 -1.9672540000e+00  1.7806410000e+00
-ENERGY -1.526540169912e+02
-FORCES  4.5375000000e-03 -1.2867800000e-02  9.7977000000e-03  3.0430000000e-04  3.2528000000e-03 -1.9673000000e-03 -3.2911000000e-03  2.4027000000e-03 -3.3537000000e-03  3.1281000000e-03  2.5976000000e-03 -2.3687000000e-03 -1.6260000000e-04  5.0109000000e-03 -1.3217000000e-03 -4.5162000000e-03 -3.9620000000e-04 -7.8640000000e-04
-
-JOB 450
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.1246400000e-01 -7.9895900000e-01 -5.1502300000e-01 -8.0918300000e-01  3.8816800000e-01 -3.3283700000e-01 -2.6388130000e+00 -2.2372900000e-01  1.3516760000e+00 -3.1646000000e+00 -7.9446400000e-01  1.9120700000e+00 -1.8986870000e+00 -7.6764300000e-01  1.0822280000e+00
-ENERGY -1.526573702845e+02
-FORCES -1.6981000000e-03  2.7077000000e-03 -4.9382000000e-03 -2.2622000000e-03  2.6899000000e-03  4.2533000000e-03  4.2849000000e-03 -4.8324000000e-03  2.3456000000e-03  3.9278000000e-03 -3.2552000000e-03  2.1098000000e-03  3.1304000000e-03  1.5195000000e-03 -2.2670000000e-03 -7.3828000000e-03  1.1705000000e-03 -1.5036000000e-03
-
-JOB 451
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8190800000e-01  6.3186700000e-01  2.2798500000e-01 -6.3786100000e-01  5.0631400000e-01 -5.0300200000e-01 -1.7337600000e-01 -1.5271460000e+00 -2.9685110000e+00  1.6019900000e-01 -1.6908590000e+00 -2.0863790000e+00 -2.3693900000e-01 -2.3955650000e+00 -3.3660520000e+00
-ENERGY -1.526589070156e+02
-FORCES -5.0810000000e-04  6.4055000000e-03 -6.8630000000e-04 -2.9427000000e-03 -2.5718000000e-03 -8.5630000000e-04  3.1628000000e-03 -2.0819000000e-03  3.2142000000e-03  1.5662000000e-03 -3.6157000000e-03  3.4275000000e-03 -1.6950000000e-03 -1.3642000000e-03 -6.9430000000e-03  4.1680000000e-04  3.2282000000e-03  1.8439000000e-03
-
-JOB 452
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2581700000e-01 -8.5456200000e-01  6.8087000000e-02  1.5621200000e-01  1.1630300000e-01 -9.3717800000e-01  2.5737500000e-01  9.2999300000e-01 -2.3519570000e+00  6.2052200000e-01  1.7991400000e+00 -2.5220750000e+00  4.4913700000e-01  4.3025000000e-01 -3.1455030000e+00
-ENERGY -1.526560565507e+02
-FORCES  1.4227000000e-03  7.8206000000e-03 -1.8739600000e-02  1.5750000000e-03  2.5036000000e-03 -3.4631000000e-03 -8.6890000000e-04 -5.8755000000e-03  5.2069000000e-03  5.2940000000e-04 -1.7507000000e-03  1.3815100000e-02 -1.7590000000e-03 -5.0164000000e-03 -1.9220000000e-03 -8.9920000000e-04  2.3185000000e-03  5.1027000000e-03
-
-JOB 453
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.3027600000e-01 -5.5617800000e-01  5.7070600000e-01  8.4537600000e-01  6.3137000000e-02  4.4450600000e-01  2.0860210000e+00 -3.3403000000e-02 -2.2979610000e+00  2.0830280000e+00 -1.0529300000e-01 -1.3434690000e+00  2.6742470000e+00 -7.3008700000e-01 -2.5892570000e+00
-ENERGY -1.526510042568e+02
-FORCES -5.1030000000e-04 -2.0382000000e-03  4.4596000000e-03  2.2763000000e-03  2.6691000000e-03 -2.8045000000e-03 -1.1251000000e-03 -1.2086000000e-03 -5.6496000000e-03 -7.7110000000e-04 -3.6214000000e-03  3.5301000000e-03  2.8785000000e-03  1.4314000000e-03 -8.4600000000e-04 -2.7483000000e-03  2.7678000000e-03  1.3104000000e-03
-
-JOB 454
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0391400000e-01  8.0450900000e-01  3.2534600000e-01  3.5409500000e-01 -4.2390500000e-01  7.8176300000e-01  1.4212770000e+00  4.2732000000e-02 -2.8687950000e+00  1.2357260000e+00  3.6516300000e-01 -1.9868420000e+00  1.6213380000e+00 -8.8547800000e-01 -2.7478250000e+00
-ENERGY -1.526590930665e+02
-FORCES -2.2605000000e-03  8.1080000000e-04  6.0105000000e-03  2.5742000000e-03 -3.6887000000e-03 -1.5265000000e-03 -1.5996000000e-03  1.9871000000e-03 -3.7564000000e-03 -2.7992000000e-03 -3.1804000000e-03  7.5204000000e-03  3.7985000000e-03  1.3251000000e-03 -6.9486000000e-03  2.8660000000e-04  2.7461000000e-03 -1.2993000000e-03
-
-JOB 455
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.2778500000e-01  1.2664400000e-01 -9.4014000000e-01  8.4427600000e-01  2.2709500000e-01  3.8968900000e-01 -3.0460430000e+00  8.5540400000e-01  7.0673800000e-01 -2.3547420000e+00  7.6285700000e-01  1.3623060000e+00 -2.6179170000e+00  6.4936500000e-01 -1.2421800000e-01
-ENERGY -1.526574783627e+02
-FORCES  5.4501000000e-03  1.1315000000e-03 -2.2856000000e-03 -1.5601000000e-03 -3.0710000000e-04  4.2645000000e-03 -3.8105000000e-03 -1.0265000000e-03 -1.7013000000e-03  8.6819000000e-03 -2.7728000000e-03 -9.7950000000e-04 -4.6343000000e-03  1.5061000000e-03  2.3660000000e-04 -4.1270000000e-03  1.4689000000e-03  4.6520000000e-04
-
-JOB 456
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1391600000e-01  5.5134100000e-01 -7.7413100000e-01 -2.3586000000e-01 -8.7954300000e-01 -2.9496800000e-01 -9.8241200000e-01 -6.6346000000e-01  2.7305860000e+00 -6.5840200000e-01 -1.0214650000e+00  1.9040990000e+00 -1.1270450000e+00 -1.4308010000e+00  3.2842120000e+00
-ENERGY -1.526536648844e+02
-FORCES -2.0932000000e-03  1.8230000000e-03 -5.1336000000e-03  9.9470000000e-04 -2.7824000000e-03  2.8783000000e-03  5.0700000000e-04  3.1543000000e-03  5.5692000000e-03  2.3343000000e-03 -1.2758000000e-03 -3.4999000000e-03 -2.5052000000e-03 -3.9290000000e-03  3.4159000000e-03  7.6240000000e-04  3.0099000000e-03 -3.2300000000e-03
-
-JOB 457
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1891200000e-01  5.8791700000e-01 -2.3184400000e-01 -3.3689900000e-01  3.4698100000e-01  8.2603600000e-01  2.0644750000e+00  1.7671870000e+00  1.6452180000e+00  1.6255670000e+00  1.3051420000e+00  2.3594350000e+00  2.5913800000e+00  2.4371610000e+00  2.0808060000e+00
-ENERGY -1.526572436453e+02
-FORCES  3.7793000000e-03  6.2391000000e-03  2.4751000000e-03 -4.5661000000e-03 -4.1509000000e-03 -1.4459000000e-03  7.8430000000e-04 -2.4574000000e-03 -1.3775000000e-03  1.9784000000e-03  1.0004000000e-03  5.5422000000e-03  4.6460000000e-04  2.6204000000e-03 -3.6988000000e-03 -2.4405000000e-03 -3.2516000000e-03 -1.4953000000e-03
-
-JOB 458
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.7256300000e-01 -2.6946100000e-01  2.8680400000e-01 -4.6118500000e-01 -8.2144200000e-01 -1.6962600000e-01 -2.9699090000e+00  1.0371070000e+00 -6.5061800000e-01 -3.8259600000e+00  1.3870580000e+00 -4.0375000000e-01 -2.5030390000e+00  1.7852780000e+00 -1.0227790000e+00
-ENERGY -1.526552664354e+02
-FORCES -4.1800000000e-04 -5.1268000000e-03  4.9900000000e-04 -3.7963000000e-03  1.3572000000e-03 -1.0436000000e-03  4.0926000000e-03  2.4268000000e-03  7.5670000000e-04  3.3680000000e-04  5.2955000000e-03 -3.5700000000e-05  3.5556000000e-03 -1.4964000000e-03 -8.5520000000e-04 -3.7707000000e-03 -2.4562000000e-03  6.7880000000e-04
-
-JOB 459
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.7422400000e-01  8.7167500000e-01  3.5505000000e-01 -9.5029400000e-01 -2.8290000000e-02 -1.1123100000e-01 -5.0415700000e-01 -7.5582000000e-01  2.6331340000e+00 -6.9815500000e-01  9.3976000000e-02  3.0286650000e+00 -3.6241700000e-01 -5.6246100000e-01  1.7064450000e+00
-ENERGY -1.526561506488e+02
-FORCES -2.1825000000e-03  3.8860000000e-03  3.1830000000e-04 -2.4348000000e-03 -6.6657000000e-03  1.4892000000e-03  6.2526000000e-03 -9.3750000000e-04  5.4275000000e-03  4.0194000000e-03  4.0455000000e-03 -1.2116600000e-02  9.1430000000e-04 -1.8936000000e-03 -3.3980000000e-03 -6.5690000000e-03  1.5653000000e-03  8.2797000000e-03
-
-JOB 460
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3906200000e-01  2.4260500000e-01  7.5285200000e-01 -1.1624900000e-01  8.1691900000e-01 -4.8514000000e-01  2.2660550000e+00 -1.5873670000e+00 -7.7932900000e-01  2.6041920000e+00 -1.4785290000e+00  1.0951800000e-01  1.7550930000e+00 -7.9416600000e-01 -9.4051700000e-01
-ENERGY -1.526542409167e+02
-FORCES -1.1240000000e-04  2.0959000000e-03  3.5416000000e-03 -3.0370000000e-04 -1.9833000000e-03 -5.2475000000e-03  2.9675000000e-03 -5.4273000000e-03  1.2859000000e-03 -8.8241000000e-03  5.9378000000e-03  4.6648000000e-03 -1.1340000000e-03  2.6640000000e-04 -2.3852000000e-03  7.4067000000e-03 -8.8960000000e-04 -1.8595000000e-03
-
-JOB 461
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.9290000000e-01  7.5077900000e-01 -3.2134000000e-02 -4.0824000000e-01 -6.0171900000e-01  6.2250000000e-01  1.0390650000e+00 -2.4457110000e+00 -1.1601030000e+00  1.3935250000e+00 -1.8721690000e+00 -1.8395430000e+00  4.5248000000e-01 -1.8838220000e+00 -6.5371200000e-01
-ENERGY -1.526557882744e+02
-FORCES -3.5897000000e-03  1.3905000000e-03  1.9158000000e-03  3.1776000000e-03 -3.4448000000e-03  7.2340000000e-04  3.4362000000e-03 -4.4430000000e-04 -7.1950000000e-03 -1.4621000000e-03  1.1878300000e-02 -5.0360000000e-04 -9.0000000000e-06 -3.7053000000e-03  5.2200000000e-04 -1.5530000000e-03 -5.6743000000e-03  4.5373000000e-03
-
-JOB 462
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4897800000e-01  1.2601800000e-01  8.8236400000e-01  8.4061500000e-01  4.5777000000e-01  6.7470000000e-03  3.0104800000e+00 -4.7745800000e-01  3.2174900000e-01  3.6801550000e+00 -1.1401530000e+00  1.5262400000e-01  3.4197450000e+00  1.2399600000e-01  9.4383200000e-01
-ENERGY -1.526558117857e+02
-FORCES  6.5792000000e-03 -8.3000000000e-05  3.3722000000e-03  1.2024000000e-03 -1.9060000000e-04 -3.0123000000e-03 -6.5005000000e-03  2.3391000000e-03  4.3650000000e-04  4.4984000000e-03 -3.3290000000e-03  6.9720000000e-04 -2.2582000000e-03  3.2119000000e-03  1.4840000000e-03 -3.5214000000e-03 -1.9484000000e-03 -2.9775000000e-03
-
-JOB 463
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0840100000e-01  7.6360100000e-01 -4.8788800000e-01  6.6565800000e-01  3.4734600000e-01  5.9370200000e-01  1.2487200000e-01 -2.4673600000e+00  8.5197800000e-01  4.9253000000e-02 -1.6865560000e+00  3.0347300000e-01  2.8288500000e-01 -3.1806860000e+00  2.3356900000e-01
-ENERGY -1.526592081540e+02
-FORCES  1.6640000000e-04 -6.4749000000e-03  3.1692000000e-03  2.8046000000e-03 -2.1381000000e-03  3.4686000000e-03 -3.8157000000e-03 -9.6250000000e-04 -4.3064000000e-03 -2.0872000000e-03  1.2179400000e-02 -6.9829000000e-03  3.7518000000e-03 -6.1759000000e-03  4.1628000000e-03 -8.1980000000e-04  3.5719000000e-03  4.8880000000e-04
-
-JOB 464
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2997700000e-01  6.3911700000e-01 -3.3300200000e-01 -3.6345900000e-01 -2.7997400000e-01  8.4008500000e-01 -5.2481000000e-02 -1.1555800000e-01  2.7886540000e+00 -3.1131200000e-01 -9.6132700000e-01  3.1545950000e+00 -4.5669900000e-01  5.3039600000e-01  3.3679490000e+00
-ENERGY -1.526573462535e+02
-FORCES -2.1209000000e-03  1.7911000000e-03  1.1225600000e-02  1.9294000000e-03 -1.7214000000e-03  1.8366000000e-03 -1.7318000000e-03 -3.0326000000e-03 -8.6567000000e-03 -1.2730000000e-04  2.0264000000e-03  2.4329000000e-03  3.3280000000e-04  4.6216000000e-03 -4.1274000000e-03  1.7179000000e-03 -3.6851000000e-03 -2.7110000000e-03
-
-JOB 465
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8872100000e-01 -3.5435500000e-01  2.8978000000e-02  2.2033100000e-01  1.7056400000e-01  9.1574800000e-01  1.4316740000e+00  5.0433000000e-01  2.2380820000e+00  1.2151650000e+00  7.8656700000e-01  3.1267310000e+00  2.2359440000e+00 -5.1110000000e-03  2.3373320000e+00
-ENERGY -1.526599682709e+02
-FORCES  5.1064000000e-03  1.9681000000e-03  1.0613200000e-02  3.1307000000e-03  1.4398000000e-03  1.9691000000e-03 -6.8105000000e-03 -1.8688000000e-03 -7.1684000000e-03  1.2827000000e-03 -2.6127000000e-03 -2.6669000000e-03  9.9480000000e-04 -2.1636000000e-03 -4.3772000000e-03 -3.7041000000e-03  3.2371000000e-03  1.6303000000e-03
-
-JOB 466
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6357700000e-01  9.3777400000e-01  1.0027400000e-01 -8.6046400000e-01 -4.0618600000e-01  1.0414700000e-01  7.2923800000e-01  2.5500710000e+00  3.0251000000e-01  1.4945810000e+00  2.4760800000e+00 -2.6758400000e-01  1.0705500000e+00  2.3967890000e+00  1.1835560000e+00
-ENERGY -1.526601252509e+02
-FORCES  1.4514000000e-03  1.2825400000e-02  3.7070000000e-04 -2.9145000000e-03 -1.0519500000e-02  7.1280000000e-04  2.4818000000e-03  4.1319000000e-03  4.5180000000e-04  5.1648000000e-03 -7.6678000000e-03 -3.5350000000e-04 -3.5948000000e-03  1.0252000000e-03  3.4319000000e-03 -2.5887000000e-03  2.0480000000e-04 -4.6137000000e-03
-
-JOB 467
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.6811300000e-01 -2.7308000000e-01  8.7736800000e-01 -7.6788300000e-01 -1.6386400000e-01 -5.4748200000e-01  8.2438200000e-01  2.4827040000e+00  5.9920400000e-01  2.4332000000e-01  3.2010390000e+00  3.4901900000e-01  5.1005200000e-01  1.7327690000e+00  9.4202000000e-02
-ENERGY -1.526593973215e+02
-FORCES -1.0905000000e-03  3.1121000000e-03  5.8334000000e-03  1.3290000000e-04  3.5240000000e-04 -5.5746000000e-03  3.5795000000e-03  2.6183000000e-03  3.3262000000e-03 -5.0083000000e-03 -1.2476500000e-02 -5.0303000000e-03  5.7080000000e-04 -3.9239000000e-03  8.0000000000e-06  1.8157000000e-03  1.0317500000e-02  1.4372000000e-03
-
-JOB 468
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6923800000e-01 -8.0953600000e-01 -3.5291100000e-01  2.4084100000e-01  6.7173000000e-01 -6.3797000000e-01  1.3257370000e+00  1.9329880000e+00  1.7238560000e+00  1.6489850000e+00  2.2616960000e+00  8.8499100000e-01  6.2265100000e-01  1.3272360000e+00  1.4894070000e+00
-ENERGY -1.526569805589e+02
-FORCES  4.2081000000e-03 -1.8493000000e-03 -3.1013000000e-03 -1.8757000000e-03  4.2046000000e-03  4.1590000000e-04  1.6610000000e-04 -1.5838000000e-03  5.1798000000e-03 -3.7598000000e-03 -7.1105000000e-03 -6.5410000000e-03 -1.4078000000e-03 -9.4680000000e-04  1.5138000000e-03  2.6691000000e-03  7.2858000000e-03  2.5329000000e-03
-
-JOB 469
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9655300000e-01 -2.5858700000e-01 -8.7259400000e-01  8.0396300000e-01  2.1591700000e-01  4.7249900000e-01  1.6003480000e+00  2.7070720000e+00 -1.2950190000e+00  1.5307790000e+00  1.7760310000e+00 -1.5060970000e+00  2.5215440000e+00  2.9191050000e+00 -1.4455930000e+00
-ENERGY -1.526524841760e+02
-FORCES  3.5030000000e-03  7.7100000000e-05  1.3590000000e-04  8.7500000000e-05  3.1261000000e-03  3.1327000000e-03 -3.1748000000e-03 -1.8877000000e-03 -3.1847000000e-03  2.2379000000e-03 -2.2832000000e-03 -2.0487000000e-03  1.5381000000e-03  2.3714000000e-03  7.8280000000e-04 -4.1916000000e-03 -1.4037000000e-03  1.1820000000e-03
-
-JOB 470
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.5487300000e-01  6.6302000000e-02  7.2720000000e-03  2.5454000000e-01  1.0056200000e-01  9.1724000000e-01  1.3267850000e+00  2.4065680000e+00 -1.6450500000e-01  2.2148590000e+00  2.4342750000e+00  1.9157100000e-01  9.1440300000e-01  1.6639040000e+00  2.7665600000e-01
-ENERGY -1.526511997425e+02
-FORCES -2.7924000000e-03  2.2447000000e-03  6.0090000000e-04  5.4228000000e-03 -2.7480000000e-04  2.9030000000e-04  2.3284000000e-03  7.6411000000e-03 -7.5243000000e-03 -3.5743000000e-03 -1.0305300000e-02 -1.1268000000e-03 -4.0868000000e-03 -2.0210000000e-03 -5.2320000000e-04  2.7023000000e-03  2.7153000000e-03  8.2832000000e-03
-
-JOB 471
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0065300000e-01 -6.4094000000e-01 -1.2047200000e-01 -7.9876200000e-01 -5.2477000000e-01  5.3177000000e-02 -2.9976580000e+00  1.3058090000e+00 -8.5818400000e-01 -3.6236770000e+00  2.0097870000e+00 -1.0277320000e+00 -2.7833090000e+00  1.3937880000e+00  7.0550000000e-02
-ENERGY -1.526547522088e+02
-FORCES -7.8390000000e-04 -4.9969000000e-03 -2.0992000000e-03 -2.7742000000e-03  2.6136000000e-03  3.8440000000e-04  3.7019000000e-03  2.4056000000e-03  2.0207000000e-03 -7.0620000000e-04  4.7655000000e-03  2.7733000000e-03  2.5727000000e-03 -2.7759000000e-03  6.6700000000e-04 -2.0103000000e-03 -2.0118000000e-03 -3.7462000000e-03
-
-JOB 472
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3539000000e-02 -8.2683400000e-01  4.7497200000e-01 -9.0213800000e-01  2.7939300000e-01 -1.5594200000e-01 -4.0300400000e-01 -1.3107800000e-01 -2.6872900000e+00 -6.2979100000e-01 -8.2682600000e-01 -2.0702540000e+00  1.7933200000e-01  4.4670800000e-01 -2.1940560000e+00
-ENERGY -1.526544959670e+02
-FORCES -4.0103000000e-03 -1.0731000000e-03 -3.6950000000e-03 -8.5190000000e-04  3.1401000000e-03 -4.4674000000e-03  5.1226000000e-03 -2.8630000000e-03 -1.0931000000e-03  6.7388000000e-03 -1.1423000000e-03  1.4683200000e-02 -4.0937000000e-03 -2.6100000000e-04 -1.3223000000e-03 -2.9055000000e-03  2.1994000000e-03 -4.1053000000e-03
-
-JOB 473
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.1812700000e-01  2.1716000000e-02  2.6982000000e-01 -1.2503800000e-01 -8.8007100000e-01 -3.5506600000e-01  5.4073000000e-02 -2.3666030000e+00 -1.6772660000e+00 -9.3851000000e-02 -3.3097480000e+00 -1.6077930000e+00  2.5574700000e-01 -2.2227760000e+00 -2.6018600000e+00
-ENERGY -1.526611707718e+02
-FORCES  2.7958000000e-03 -8.5642000000e-03 -4.3405000000e-03 -2.6019000000e-03  3.1340000000e-04 -7.5350000000e-04 -6.4920000000e-04  6.9992000000e-03  5.7944000000e-03  1.1870000000e-04 -6.0340000000e-04 -3.6529000000e-03  1.0669000000e-03  4.3703000000e-03 -1.0687000000e-03 -7.3030000000e-04 -2.5154000000e-03  4.0212000000e-03
-
-JOB 474
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.0092800000e-01 -6.0480500000e-01  2.4319500000e-01 -9.6340000000e-02  5.7379500000e-01  7.6007200000e-01 -6.6355600000e-01  1.6142740000e+00 -2.1699350000e+00 -9.5289800000e-01  1.3328210000e+00 -3.0378620000e+00 -4.5392500000e-01  8.0067100000e-01 -1.7113110000e+00
-ENERGY -1.526609092898e+02
-FORCES  1.2888000000e-03  3.8123000000e-03  2.2076000000e-03 -3.1929000000e-03  2.9741000000e-03 -5.5230000000e-04  1.4197000000e-03 -4.2146000000e-03 -2.3442000000e-03  1.8239000000e-03 -6.9733000000e-03  5.5852000000e-03  1.5347000000e-03 -6.2930000000e-04  3.5138000000e-03 -2.8743000000e-03  5.0307000000e-03 -8.4101000000e-03
-
-JOB 475
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.2896000000e-02 -9.1135400000e-01  2.8070200000e-01  8.8358600000e-01  2.4889200000e-01 -2.7122100000e-01  2.7900960000e+00  1.3284570000e+00  1.7170790000e+00  2.5252180000e+00  2.1571310000e+00  2.1162920000e+00  3.1350170000e+00  1.5749370000e+00  8.5887800000e-01
-ENERGY -1.526545226279e+02
-FORCES  5.6315000000e-03 -2.4346000000e-03  2.5821000000e-03 -9.9970000000e-04  3.1458000000e-03 -1.7650000000e-03 -3.6619000000e-03 -6.6100000000e-04 -1.6580000000e-03 -2.3580000000e-04  5.5899000000e-03 -1.2800000000e-04  1.9250000000e-03 -3.3759000000e-03 -1.6827000000e-03 -2.6591000000e-03 -2.2641000000e-03  2.6515000000e-03
-
-JOB 476
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.9637000000e-01  1.9918500000e-01 -2.7032800000e-01  5.4955400000e-01  4.9325100000e-01 -6.0903700000e-01  1.6449300000e-01  1.9648810000e+00  2.0437020000e+00  6.4108400000e-01  2.0403660000e+00  1.2170250000e+00 -7.5183800000e-01  1.8681030000e+00  1.7844660000e+00
-ENERGY -1.526490780340e+02
-FORCES -1.0209000000e-03  3.2458000000e-03 -3.9950000000e-04  4.0280000000e-03  8.2360000000e-04  2.9883000000e-03 -2.2817000000e-03  2.3870000000e-04  5.1914000000e-03 -2.2612000000e-03 -9.4069000000e-03 -9.9605000000e-03  4.5920000000e-04  2.9925000000e-03  9.0630000000e-04  1.0765000000e-03  2.1064000000e-03  1.2741000000e-03
-
-JOB 477
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.9242000000e-01  1.6176900000e-01 -8.0472700000e-01 -4.7250500000e-01  4.8985700000e-01  6.7306100000e-01 -1.0629800000e+00  1.8432800000e+00  1.6992570000e+00 -4.7885500000e-01  2.2504960000e+00  2.3389490000e+00 -1.8560000000e+00  1.6384960000e+00  2.1946500000e+00
-ENERGY -1.526602981664e+02
-FORCES -6.8079000000e-03  1.1301100000e-02  7.1035000000e-03  7.7830000000e-04 -4.2840000000e-04  2.5242000000e-03  2.1430000000e-03 -8.0701000000e-03 -4.9819000000e-03  3.4859000000e-03 -1.1498000000e-03  6.0700000000e-04 -4.3658000000e-03 -1.9794000000e-03 -2.3422000000e-03  4.7664000000e-03  3.2660000000e-04 -2.9106000000e-03
-
-JOB 478
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.1618500000e-01 -3.8765300000e-01  6.2150900000e-01 -5.5342600000e-01  3.6694100000e-01 -6.8942400000e-01  4.9851200000e-01 -2.4185670000e+00 -4.8764300000e-01  1.3435320000e+00 -2.6546840000e+00 -8.7029400000e-01  5.0712700000e-01 -1.4618450000e+00 -4.5864200000e-01
-ENERGY -1.526566852006e+02
-FORCES -1.1957000000e-03 -1.5172400000e-02 -2.0766000000e-03  4.3536000000e-03  1.1866000000e-03 -5.7410000000e-03  3.1503000000e-03 -3.7237000000e-03  3.4731000000e-03 -2.5024000000e-03  2.3645500000e-02  3.7029000000e-03 -2.1386000000e-03  4.2142000000e-03  7.0820000000e-04 -1.6672000000e-03 -1.0150200000e-02 -6.6600000000e-05
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-JOB 479
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9266700000e-01  7.6599400000e-01  4.1868600000e-01  4.1234500000e-01 -4.8078700000e-01  7.1766800000e-01  3.4246200000e-01  3.0083200000e+00 -1.7271210000e+00 -4.0936900000e-01  3.2502420000e+00 -1.1863300000e+00  6.4313800000e-01  3.8353080000e+00 -2.1038390000e+00
-ENERGY -1.526520308240e+02
-FORCES  1.1110000000e-03  2.1984000000e-03  4.0530000000e-03  2.9870000000e-04 -2.9464000000e-03 -1.2604000000e-03 -1.6756000000e-03  1.8287000000e-03 -3.0864000000e-03 -1.8427000000e-03  4.4055000000e-03 -1.8510000000e-04  3.2197000000e-03 -1.7127000000e-03 -1.0991000000e-03 -1.1112000000e-03 -3.7735000000e-03  1.5780000000e-03
-
-JOB 480
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.5593300000e-01  5.0384500000e-01 -5.9440000000e-01 -1.1956000000e-02 -8.8180100000e-01 -3.7217700000e-01 -1.5965240000e+00  2.7646580000e+00  7.1562200000e-01 -2.3847490000e+00  3.1548890000e+00  3.3792700000e-01 -1.1428060000e+00  2.3710930000e+00 -2.9683000000e-02
-ENERGY -1.526538150306e+02
-FORCES  3.0429000000e-03 -3.9231000000e-03 -2.8467000000e-03 -4.6349000000e-03 -3.9120000000e-04  2.4870000000e-03  2.1640000000e-04  3.9513000000e-03  1.7478000000e-03 -1.0345000000e-03 -2.9605000000e-03 -4.2920000000e-03  3.0936000000e-03 -1.6833000000e-03  1.5263000000e-03 -6.8350000000e-04  5.0069000000e-03  1.3776000000e-03
-
-JOB 481
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1350100000e-01 -6.2210100000e-01  1.4191100000e-01  7.4994300000e-01 -5.4515200000e-01 -2.3796300000e-01  1.1245460000e+00 -2.5368550000e+00  5.3145000000e-02  1.1275450000e+00 -3.3730940000e+00  5.1889900000e-01  1.6638120000e+00 -2.6921150000e+00 -7.2230200000e-01
-ENERGY -1.526565100531e+02
-FORCES  2.7920000000e-03 -1.4149900000e-02  2.0797000000e-03 -9.3390000000e-04  3.8523000000e-03 -5.9400000000e-05  1.3849000000e-03  4.5768000000e-03 -4.0646000000e-03  1.7300000000e-05 -7.2890000000e-04  9.8400000000e-04 -2.9000000000e-04  3.4305000000e-03 -3.1102000000e-03 -2.9702000000e-03  3.0192000000e-03  4.1705000000e-03
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-JOB 482
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.4773300000e-01  4.2856400000e-01 -8.1926400000e-01 -5.3092600000e-01 -7.4865600000e-01 -2.7177900000e-01 -1.7351080000e+00 -2.2137890000e+00  2.7331300000e-01 -2.3293020000e+00 -2.2385760000e+00  1.0233460000e+00 -1.3123050000e+00 -3.0725490000e+00  2.7361300000e-01
-ENERGY -1.526605213147e+02
-FORCES -5.9484000000e-03 -6.2719000000e-03 -1.0100000000e-03 -1.6746000000e-03 -2.8027000000e-03  2.3016000000e-03  7.3047000000e-03  6.7898000000e-03 -3.0227000000e-03 -4.3300000000e-05  2.3700000000e-05  5.3068000000e-03  2.2931000000e-03 -1.9847000000e-03 -3.4757000000e-03 -1.9315000000e-03  4.2459000000e-03 -1.0000000000e-04
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-JOB 483
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.9329000000e-02 -9.1229200000e-01  2.8360900000e-01 -1.0513100000e-01  4.9714300000e-01  8.1119000000e-01  2.0146650000e+00  7.2213100000e-01 -1.7594970000e+00  1.6542750000e+00  7.9005100000e-01 -2.6436560000e+00  1.2492380000e+00  6.0580300000e-01 -1.1966270000e+00
-ENERGY -1.526616635054e+02
-FORCES  3.5174000000e-03 -1.9490000000e-03  1.4564000000e-03 -1.2303000000e-03  4.8645000000e-03 -1.7350000000e-04  7.6520000000e-04 -3.1633000000e-03 -3.8487000000e-03 -1.0586400000e-02 -2.8833000000e-03  6.1866000000e-03  2.1820000000e-04 -6.5030000000e-04  3.0464000000e-03  7.3159000000e-03  3.7813000000e-03 -6.6672000000e-03
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-JOB 484
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.0588700000e-01  1.1210000000e-03  9.0700800000e-01  6.3739300000e-01  7.1304000000e-01 -3.9189000000e-02  1.9081130000e+00  1.7262300000e-01  2.5700340000e+00  1.5049540000e+00  5.3023000000e-01  3.3611170000e+00  2.0033240000e+00  9.2618400000e-01  1.9875290000e+00
-ENERGY -1.526526436324e+02
-FORCES  3.4628000000e-03  7.8710000000e-04  6.4267000000e-03 -1.2982000000e-03  1.5328000000e-03 -4.6388000000e-03 -1.5270000000e-03 -1.3118000000e-03  6.0810000000e-04  1.0428000000e-03  4.1313000000e-03  1.1613000000e-03  6.7040000000e-04 -1.9812000000e-03 -4.5151000000e-03 -2.3509000000e-03 -3.1582000000e-03  9.5770000000e-04
-
-JOB 485
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.1241300000e-01 -8.5866800000e-01  2.8516400000e-01 -7.0570100000e-01  6.0240200000e-01  2.3522400000e-01  2.0212870000e+00 -1.0946220000e+00  2.7836360000e+00  2.8400700000e+00 -5.9935000000e-01  2.7605610000e+00  1.6432880000e+00 -8.9364500000e-01  3.6397650000e+00
-ENERGY -1.526539491669e+02
-FORCES -2.8838000000e-03 -2.2370000000e-03  3.6591000000e-03 -2.6450000000e-04  3.6719000000e-03 -2.4105000000e-03  2.7590000000e-03 -2.1286000000e-03 -8.6300000000e-04  2.3309000000e-03  4.0386000000e-03  2.2714000000e-03 -3.0154000000e-03 -2.3703000000e-03  8.8570000000e-04  1.0737000000e-03 -9.7470000000e-04 -3.5427000000e-03
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-JOB 486
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.8486900000e-01 -6.5930500000e-01  1.1181800000e-01  4.5472500000e-01  8.3690700000e-01  9.5097000000e-02 -1.9623250000e+00  2.2299600000e+00  1.1055300000e-01 -2.2733600000e+00  1.3302750000e+00  2.1083600000e-01 -1.0906680000e+00  2.2280310000e+00  5.0608100000e-01
-ENERGY -1.526540883439e+02
-FORCES  5.1654000000e-03  7.6310000000e-04 -7.2900000000e-04 -3.2224000000e-03  3.3608000000e-03 -7.4450000000e-04 -4.2819000000e-03 -1.7054000000e-03  2.1380000000e-03  3.0510000000e-03 -8.5467000000e-03  1.6729000000e-03 -1.6946000000e-03  5.3574000000e-03  1.5800000000e-05  9.8250000000e-04  7.7070000000e-04 -2.3533000000e-03
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-JOB 487
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.6456400000e-01  2.8481100000e-01  7.8695300000e-01 -4.8571100000e-01 -7.6806200000e-01 -3.0066200000e-01  1.5229530000e+00  2.3738400000e-01 -2.2782530000e+00  9.8841600000e-01  3.0763700000e-01 -1.4873250000e+00  1.8882970000e+00 -6.4665900000e-01 -2.2432550000e+00
-ENERGY -1.526593607484e+02
-FORCES -4.9010000000e-04  1.0203000000e-03 -1.2693000000e-03  1.0374000000e-03 -3.2974000000e-03 -3.6139000000e-03  3.5739000000e-03  4.2335000000e-03  1.2063000000e-03 -4.1225000000e-03 -1.1331000000e-03  1.1559800000e-02  2.2281000000e-03 -2.7801000000e-03 -7.7814000000e-03 -2.2268000000e-03  1.9569000000e-03 -1.0160000000e-04
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-JOB 488
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.4360700000e-01 -1.2325000000e-01  1.0318300000e-01  1.4865000000e-01  9.1744400000e-01  2.2898000000e-01  1.4417100000e+00  7.0982000000e-02 -2.4147770000e+00  8.8008000000e-01 -2.4709000000e-01 -1.7079300000e+00  1.4507520000e+00  1.0217920000e+00 -2.3047270000e+00
-ENERGY -1.526589262582e+02
-FORCES -1.1839000000e-03  3.7590000000e-03 -1.0250000000e-04  4.9362000000e-03  1.2754000000e-03 -8.2970000000e-04 -1.0714000000e-03 -4.2858000000e-03 -2.3997000000e-03 -7.0505000000e-03  1.3176000000e-03  1.1264400000e-02  4.1118000000e-03 -1.6370000000e-04 -7.9107000000e-03  2.5780000000e-04 -1.9025000000e-03 -2.1800000000e-05
-
-JOB 489
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1183900000e-01 -5.6501200000e-01  7.0693000000e-01  7.0502000000e-01 -1.4188000000e-02 -6.4728400000e-01  1.9356370000e+00 -9.2929900000e-01 -1.5073330000e+00  2.2283790000e+00 -1.8011680000e+00 -1.2420450000e+00  1.4007500000e+00 -1.0824190000e+00 -2.2862310000e+00
-ENERGY -1.526552903401e+02
-FORCES  1.7882000000e-02 -8.8847000000e-03 -7.9560000000e-03 -1.6477000000e-03  7.1030000000e-04 -7.1590000000e-04 -6.6537000000e-03  4.0331000000e-03 -2.3687000000e-03 -9.7645000000e-03 -1.9427000000e-03  7.1339000000e-03 -1.5577000000e-03  3.8622000000e-03 -1.8996000000e-03  1.7416000000e-03  2.2217000000e-03  5.8063000000e-03
-
-JOB 490
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4991000000e-02 -5.0499300000e-01 -8.1239700000e-01 -3.7685200000e-01 -5.8143200000e-01  6.6041800000e-01 -2.0711660000e+00  1.7356310000e+00 -8.5497000000e-02 -1.4921520000e+00  9.9451600000e-01 -2.6361000000e-01 -2.6128530000e+00  1.8111780000e+00 -8.7105400000e-01
-ENERGY -1.526570943358e+02
-FORCES -1.1117000000e-03 -1.3131000000e-03  1.9311000000e-03 -3.3833000000e-03  4.9479000000e-03  4.2822000000e-03  2.7210000000e-04  4.3041000000e-03 -5.3426000000e-03  1.1488700000e-02 -7.9396000000e-03 -8.6810000000e-04 -1.0919900000e-02  2.3199000000e-03 -1.8090000000e-03  3.6541000000e-03 -2.3192000000e-03  1.8064000000e-03
-
-JOB 491
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0049500000e-01  4.2458800000e-01  6.1266800000e-01  7.1227300000e-01  6.2938900000e-01 -1.1299800000e-01  1.8326790000e+00 -2.1756830000e+00 -6.7791200000e-01  1.4464070000e+00 -2.8704720000e+00 -1.4471900000e-01  1.2532390000e+00 -1.4246310000e+00 -5.4984300000e-01
-ENERGY -1.526593706187e+02
-FORCES -7.7770000000e-04  2.8325000000e-03  3.1307000000e-03  3.0793000000e-03 -5.6870000000e-04 -2.9746000000e-03 -2.9683000000e-03 -5.6627000000e-03  2.3360000000e-04 -9.0076000000e-03  3.1745000000e-03  4.4922000000e-03  1.8051000000e-03  1.2289000000e-03 -1.6936000000e-03  7.8692000000e-03 -1.0045000000e-03 -3.1882000000e-03
-
-JOB 492
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.1347000000e-02  3.5181700000e-01 -8.8871800000e-01 -2.7669000000e-02 -9.4937700000e-01 -1.1894900000e-01 -8.9430500000e-01  1.9238760000e+00 -1.9231380000e+00 -5.9682000000e-01  2.4838420000e+00 -2.6401960000e+00 -1.8401010000e+00  2.0659510000e+00 -1.8842120000e+00
-ENERGY -1.526592645520e+02
-FORCES -1.3855000000e-03  2.9679000000e-03 -6.8206000000e-03  3.4335000000e-03 -6.6108000000e-03  5.3133000000e-03 -4.8770000000e-04  3.7094000000e-03 -4.2730000000e-04 -4.2802000000e-03  2.3707000000e-03  4.3890000000e-04 -1.5233000000e-03 -2.8176000000e-03  3.3189000000e-03  4.2433000000e-03  3.8040000000e-04 -1.8232000000e-03
-
-JOB 493
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.0873900000e-01  1.5080200000e-01 -6.2544400000e-01 -1.5837200000e-01 -8.8300500000e-01  3.3384600000e-01  2.0889890000e+00 -8.9706200000e-01 -1.3270780000e+00  2.0831770000e+00 -1.8310100000e+00 -1.1174620000e+00  1.2641080000e+00 -5.6619400000e-01 -9.7165000000e-01
-ENERGY -1.526549938105e+02
-FORCES  3.0407000000e-03 -4.1151000000e-03 -2.5902000000e-03  6.3154000000e-03 -2.4614000000e-03  2.3546000000e-03  4.0471000000e-03  3.9578000000e-03 -5.6403000000e-03 -1.5269900000e-02  7.1528000000e-03  1.0636200000e-02 -2.3633000000e-03  3.2741000000e-03  9.4350000000e-04  4.2299000000e-03 -7.8083000000e-03 -5.7039000000e-03
-
-JOB 494
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.8165500000e-01 -9.1065900000e-01 -2.3223600000e-01  8.3078100000e-01 -3.4396000000e-02  4.7418600000e-01  2.4203660000e+00 -6.1178200000e-01  8.9361200000e-01  2.9728520000e+00 -2.2928000000e-02  3.7956700000e-01  2.5075240000e+00 -1.4612320000e+00  4.6109700000e-01
-ENERGY -1.526568434622e+02
-FORCES  1.7231200000e-02 -7.2572000000e-03  8.0707000000e-03  1.2474000000e-03  1.7638000000e-03  8.0100000000e-05 -6.4732000000e-03  4.2820000000e-03 -4.6113000000e-03 -5.6357000000e-03 -3.9800000000e-04 -7.6186000000e-03 -4.8624000000e-03 -3.1381000000e-03  2.4169000000e-03 -1.5073000000e-03  4.7475000000e-03  1.6621000000e-03
-
-JOB 495
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5700400000e-01  8.1202100000e-01 -4.8187400000e-01 -1.8883200000e-01  2.2169600000e-01  9.1182500000e-01 -5.9458700000e-01  2.6231020000e+00 -1.0042260000e+00  3.4417700000e-01  2.7911110000e+00 -1.0862450000e+00 -9.0304500000e-01  3.2826780000e+00 -3.8290000000e-01
-ENERGY -1.526590629296e+02
-FORCES -5.5767000000e-03  1.1089200000e-02 -1.1994000000e-03  6.8717000000e-03 -6.8577000000e-03  1.2541000000e-03  9.6910000000e-04 -7.7650000000e-04 -2.2031000000e-03  9.0810000000e-04  3.5448000000e-03  3.1512000000e-03 -5.4921000000e-03 -3.9888000000e-03  1.9938000000e-03  2.3199000000e-03 -3.0111000000e-03 -2.9968000000e-03
-
-JOB 496
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.6978500000e-01 -2.7062700000e-01 -8.4038800000e-01 -2.5571100000e-01  9.1275800000e-01 -1.3310500000e-01  1.9854150000e+00  8.4832600000e-01  1.9759760000e+00  1.3736380000e+00  3.2069200000e-01  1.4625920000e+00  2.8513000000e+00  5.4232800000e-01  1.7060880000e+00
-ENERGY -1.526609693784e+02
-FORCES -2.0450000000e-04  4.1327000000e-03 -4.6946000000e-03 -1.2042000000e-03  1.6472000000e-03  4.2297000000e-03  1.6300000000e-03 -5.2087000000e-03  4.0900000000e-04 -4.0612000000e-03 -5.6698000000e-03 -6.6465000000e-03  6.8521000000e-03  4.2561000000e-03  6.5793000000e-03 -3.0122000000e-03  8.4240000000e-04  1.2310000000e-04
-
-JOB 497
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.4270900000e-01  6.0383100000e-01  1.5170000000e-03  5.8953400000e-01  3.4637600000e-01 -6.6985500000e-01 -1.5377980000e+00  2.3575530000e+00 -3.7244700000e-01 -1.0996440000e+00  3.0489080000e+00 -8.6871400000e-01 -1.3841330000e+00  2.5859630000e+00  5.4431200000e-01
-ENERGY -1.526582771627e+02
-FORCES -5.6690000000e-03  1.0884500000e-02 -6.3169000000e-03  2.8270000000e-03 -5.1949000000e-03  6.3367000000e-03 -1.6460000000e-04 -1.4957000000e-03  2.0169000000e-03  4.7166000000e-03  2.7688000000e-03  4.0660000000e-04 -1.8582000000e-03 -3.0553000000e-03  2.8610000000e-03  1.4810000000e-04 -3.9074000000e-03 -5.3043000000e-03
-
-JOB 498
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.5760300000e-01  8.2067400000e-01 -3.3888900000e-01  7.8322300000e-01 -1.5647400000e-01 -5.2755100000e-01  3.1283070000e+00  1.4484660000e+00  4.0540300000e-01  2.6392660000e+00  2.1928950000e+00  7.5596700000e-01  3.6324050000e+00  1.8135090000e+00 -3.2182400000e-01
-ENERGY -1.526553313025e+02
-FORCES  4.3903000000e-03  2.7036000000e-03 -3.1089000000e-03  1.1158000000e-03 -2.6954000000e-03  1.5799000000e-03 -5.4808000000e-03 -5.3100000000e-04  4.8120000000e-04  5.5190000000e-04  5.2834000000e-03  7.3730000000e-04  2.4305000000e-03 -2.6821000000e-03 -2.3103000000e-03 -3.0076000000e-03 -2.0785000000e-03  2.6208000000e-03
-
-JOB 499
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8729100000e-01  5.1599900000e-01  1.7363700000e-01 -2.6871800000e-01 -6.3025200000e-01 -6.6843500000e-01  2.8943560000e+00 -5.6760500000e-01 -1.6601470000e+00  2.8603410000e+00 -9.2789600000e-01 -7.7399500000e-01  1.9893800000e+00 -3.2426600000e-01 -1.8551760000e+00
-ENERGY -1.526559979136e+02
-FORCES -6.2825000000e-03  4.9490000000e-04 -1.4670000000e-04  3.3055000000e-03 -2.6103000000e-03 -9.0370000000e-04  3.3649000000e-03  3.4228000000e-03  1.8806000000e-03 -4.7374000000e-03  1.7576000000e-03  5.2881000000e-03  1.3519000000e-03 -8.7000000000e-05 -4.3136000000e-03  2.9977000000e-03 -2.9780000000e-03 -1.8047000000e-03
-
-JOB 500
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0046400000e-01  7.4882100000e-01  3.2409000000e-01  4.2895200000e-01 -2.3767700000e-01 -8.2203500000e-01  1.1500000000e-04  3.9691180000e+00 -3.5141400000e-01 -9.2463200000e-01  4.0836370000e+00 -5.7041300000e-01  2.2923100000e-01  4.7567480000e+00  1.4191800000e-01
-ENERGY -1.526563751270e+02
-FORCES  3.9149000000e-03  3.6513000000e-03 -2.1790000000e-03 -1.6280000000e-03 -5.0403000000e-03 -5.9940000000e-04 -1.7389000000e-03  3.8930000000e-04  3.1159000000e-03 -3.7255000000e-03  4.2650000000e-03  7.5560000000e-04  4.0963000000e-03  1.1500000000e-04  9.0270000000e-04 -9.1880000000e-04 -3.3803000000e-03 -1.9958000000e-03
-
-JOB 501
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9284800000e-01  4.9899700000e-01 -7.1617300000e-01  8.7453100000e-01  3.7537300000e-01  1.0258400000e-01 -5.2420900000e-01  9.0027400000e-01 -2.3431460000e+00 -1.2957780000e+00  7.0396400000e-01 -2.8745350000e+00  3.3895000000e-02  1.4265800000e+00 -2.9156440000e+00
-ENERGY -1.526551308917e+02
-FORCES -1.4612000000e-03  8.1017000000e-03 -1.9463400000e-02 -1.6636000000e-03 -1.2997000000e-03  5.1977000000e-03 -1.9144000000e-03 -5.8590000000e-04 -7.7570000000e-04  3.8247000000e-03 -4.7234000000e-03  1.0980900000e-02  4.6418000000e-03  1.6174000000e-03  2.2409000000e-03 -3.4272000000e-03 -3.1101000000e-03  1.8196000000e-03
-
-JOB 502
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8837700000e-01 -7.3783100000e-01 -3.6513800000e-01 -9.1848500000e-01 -2.5783000000e-01 -7.8370000000e-02 -4.8015400000e-01  5.2143200000e-01 -3.1901130000e+00 -1.0330390000e+00  1.1149590000e+00 -2.6819040000e+00 -1.0976280000e+00 -1.6013000000e-02 -3.6862070000e+00
-ENERGY -1.526542502069e+02
-FORCES -5.3200000000e-04 -4.7438000000e-03 -5.1284000000e-03 -1.7979000000e-03  1.9897000000e-03  3.5957000000e-03  2.7042000000e-03  1.8860000000e-03  5.0620000000e-04 -3.8690000000e-03  2.2404000000e-03  1.2598000000e-03  8.1780000000e-04 -2.9225000000e-03 -3.3400000000e-03  2.6768000000e-03  1.5503000000e-03  3.1068000000e-03
-
-JOB 503
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.9156600000e-01  4.4476500000e-01  4.9005300000e-01 -8.0959900000e-01  4.1597400000e-01  2.9622200000e-01  2.3671510000e+00  4.2291000000e-01  1.2680650000e+00  2.5556340000e+00 -3.8613600000e-01  1.7436180000e+00  2.6400930000e+00  2.4176800000e-01  3.6866400000e-01
-ENERGY -1.526595227183e+02
-FORCES  8.5376000000e-03  3.8881000000e-03  8.4598000000e-03 -5.2807000000e-03 -1.3708000000e-03 -9.1536000000e-03  3.6762000000e-03 -8.4860000000e-04  5.2060000000e-04 -1.8497000000e-03 -7.5608000000e-03 -2.3189000000e-03  1.9390000000e-04  4.1146000000e-03 -2.4669000000e-03 -5.2772000000e-03  1.7774000000e-03  4.9590000000e-03
-
-JOB 504
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.8562900000e-01 -7.9873000000e-02  5.4096200000e-01 -5.1061700000e-01 -7.8425200000e-01  2.0112200000e-01 -2.1186180000e+00  1.4286550000e+00  8.8040300000e-01 -1.5371610000e+00  7.3066200000e-01  5.7883000000e-01 -2.8765060000e+00  1.3780750000e+00  2.9792600000e-01
-ENERGY -1.526545549853e+02
-FORCES  4.9150000000e-04  2.0653000000e-03  5.1124000000e-03 -4.0130000000e-03 -7.7570000000e-04 -3.3323000000e-03 -2.2723000000e-03  9.9301000000e-03  7.1170000000e-04  1.1097200000e-02 -4.7495000000e-03 -6.5612000000e-03 -9.0329000000e-03 -4.8548000000e-03  2.8439000000e-03  3.7295000000e-03 -1.6154000000e-03  1.2254000000e-03
-
-JOB 505
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2656400000e-01  3.8753000000e-02  8.5602200000e-01 -6.7805700000e-01 -6.6821700000e-01  9.9781000000e-02  4.4310400000e-01  6.1053200000e-01 -2.7742130000e+00  2.5650300000e-01  1.4604140000e+00 -3.1731020000e+00 -3.0773300000e-01  4.4266500000e-01 -2.2047420000e+00
-ENERGY -1.526544017866e+02
-FORCES  2.7920000000e-03 -1.5375000000e-03  3.3776000000e-03 -2.3311000000e-03 -6.1620000000e-04 -3.2985000000e-03  2.6143000000e-03  4.0948000000e-03 -2.6956000000e-03 -3.1954000000e-03  1.7321000000e-03  6.9878000000e-03  8.9200000000e-04 -2.9865000000e-03  2.0247000000e-03 -7.7200000000e-04 -6.8680000000e-04 -6.3961000000e-03
-
-JOB 506
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.2293900000e-01  1.7463300000e-01 -8.8399400000e-01  1.3520000000e-01  8.6728300000e-01  3.8180200000e-01 -1.4737200000e-01 -2.3043420000e+00  1.4718210000e+00  4.3562000000e-02 -2.7375120000e+00  6.3987200000e-01 -2.9384000000e-02 -1.3720800000e+00  1.2896170000e+00
-ENERGY -1.526579650632e+02
-FORCES -2.5258000000e-03 -2.9274000000e-03 -5.6500000000e-04  2.3422000000e-03  4.7590000000e-04  3.9633000000e-03 -1.1414000000e-03 -5.1192000000e-03 -1.3269000000e-03  1.4053000000e-03  1.0614200000e-02 -1.1264300000e-02 -9.7340000000e-04 -8.4100000000e-04  2.2090000000e-03  8.9310000000e-04 -2.2026000000e-03  6.9838000000e-03
-
-JOB 507
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4916600000e-01  3.2362600000e-01 -8.8839600000e-01  1.5789400000e-01 -9.4229300000e-01 -5.8175000000e-02 -8.8653300000e-01 -1.3849340000e+00  2.2369060000e+00 -1.8264580000e+00 -1.5659580000e+00  2.2386580000e+00 -4.7979000000e-01 -2.2258540000e+00  2.4458180000e+00
-ENERGY -1.526518794872e+02
-FORCES  3.3240000000e-04 -5.6850000000e-03  1.1006000000e-03 -1.6174000000e-03 -1.6882000000e-03  4.6865000000e-03  1.3082000000e-03  3.4811000000e-03 -3.0899000000e-03 -3.5159000000e-03 -7.1420000000e-04  4.3040000000e-04  4.3290000000e-03  3.8920000000e-04  1.3970000000e-04 -8.3640000000e-04  4.2172000000e-03 -3.2673000000e-03
-
-JOB 508
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.9286300000e-01 -7.0362900000e-01  6.1963000000e-01 -8.1258800000e-01  5.0319200000e-01 -5.2246000000e-02 -1.0106740000e+00 -1.9669600000e+00  1.8177230000e+00 -8.5127300000e-01 -1.6789230000e+00  2.7165320000e+00 -3.1454800000e-01 -2.5998850000e+00  1.6415200000e+00
-ENERGY -1.526600265825e+02
-FORCES -8.7357000000e-03 -6.7314000000e-03  7.5088000000e-03  7.4570000000e-03  3.7438000000e-03 -5.4175000000e-03  2.6886000000e-03 -4.8760000000e-04 -3.4000000000e-05  1.6375000000e-03 -1.8670000000e-03  3.5909000000e-03 -3.1300000000e-04 -1.1903000000e-03 -5.4015000000e-03 -2.7345000000e-03  6.5325000000e-03 -2.4680000000e-04
-
-JOB 509
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7057100000e-01 -3.2938600000e-01  4.6255500000e-01  7.3238700000e-01 -1.9486800000e-01  5.8469400000e-01  7.1054200000e-01 -2.9679390000e+00  9.2770500000e-01  3.7511000000e-01 -2.5833770000e+00  1.1787300000e-01  1.6260390000e+00 -2.6908180000e+00  9.6376100000e-01
-ENERGY -1.526568186099e+02
-FORCES -8.8310000000e-04 -1.3190000000e-03  7.3622000000e-03  3.0393000000e-03  1.0321000000e-03 -3.7088000000e-03 -1.4152000000e-03  1.9310000000e-04 -4.1442000000e-03  2.5126000000e-03  2.3112000000e-03 -5.5493000000e-03  8.9390000000e-04 -2.6282000000e-03  5.3419000000e-03 -4.1475000000e-03  4.1090000000e-04  6.9810000000e-04
-
-JOB 510
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.8817400000e-01  5.7855000000e-01  4.8534800000e-01 -8.7653500000e-01  2.4617000000e-01  2.9549600000e-01 -9.2261900000e-01 -3.0722110000e+00  3.1584900000e-01 -1.5058090000e+00 -2.3482040000e+00  8.7958000000e-02 -4.4139000000e-01 -2.7605930000e+00  1.0823630000e+00
-ENERGY -1.526537314851e+02
-FORCES -5.4300000000e-05  4.7008000000e-03  2.0768000000e-03 -2.6768000000e-03 -3.0682000000e-03 -1.9218000000e-03  3.2959000000e-03 -3.5108000000e-03 -1.1078000000e-03  2.6838000000e-03  7.8424000000e-03  6.4820000000e-04 -5.5830000000e-04 -2.9005000000e-03  1.4526000000e-03 -2.6903000000e-03 -3.0637000000e-03 -1.1480000000e-03
-
-JOB 511
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2112000000e-02  1.5020900000e-01  9.4440200000e-01 -7.7419100000e-01 -5.2852800000e-01 -1.9369800000e-01 -1.9004870000e+00 -1.5638410000e+00  9.4255700000e-01 -1.0905960000e+00 -2.0672820000e+00  1.0253590000e+00 -1.9895680000e+00 -1.1127730000e+00  1.7821010000e+00
-ENERGY -1.526524463648e+02
-FORCES -1.6525800000e-02 -7.9533000000e-03  7.8223000000e-03  1.0789000000e-03 -1.2857000000e-03 -6.2000000000e-05  6.3186000000e-03 -1.5205000000e-03 -2.6405000000e-03  9.8433000000e-03  6.4685000000e-03  1.4095000000e-03 -3.2912000000e-03  5.5225000000e-03 -2.3026000000e-03  2.5762000000e-03 -1.2316000000e-03 -4.2267000000e-03
-
-JOB 512
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7463000000e-02  8.7935700000e-01 -3.7203800000e-01 -8.3795800000e-01 -1.3879000000e-01  4.4135700000e-01  9.2229800000e-01  2.6335680000e+00 -5.6526000000e-01  1.7312030000e+00  2.3405660000e+00 -1.4567100000e-01  1.1845510000e+00  2.8660170000e+00 -1.4560020000e+00
-ENERGY -1.526614403745e+02
-FORCES -8.5830000000e-04  8.9554000000e-03 -1.5286000000e-03 -2.5269000000e-03 -9.8318000000e-03  1.7730000000e-03  2.7074000000e-03  1.5886000000e-03 -1.6934000000e-03  5.9963000000e-03 -1.0821000000e-03  2.9590000000e-04 -4.0013000000e-03  2.3454000000e-03 -3.0950000000e-03 -1.3171000000e-03 -1.9754000000e-03  4.2481000000e-03
-
-JOB 513
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4465500000e-01  1.5418400000e-01 -9.3080000000e-03 -3.2739200000e-01  4.6967700000e-01 -7.6710500000e-01 -2.5429100000e-01 -2.5007200000e+00  1.3567530000e+00 -8.8143900000e-01 -3.2158070000e+00  1.4643050000e+00 -6.0924400000e-01 -1.9761150000e+00  6.3909800000e-01
-ENERGY -1.526590483836e+02
-FORCES  5.1447000000e-03  2.3281000000e-03 -5.3690000000e-04 -4.6524000000e-03  6.5770000000e-04 -1.2043000000e-03  1.2386000000e-03 -2.9170000000e-03  3.4755000000e-03 -2.2238000000e-03  4.9138000000e-03 -3.9340000000e-03  1.6457000000e-03  3.4945000000e-03 -1.3393000000e-03 -1.1527000000e-03 -8.4771000000e-03  3.5389000000e-03
-
-JOB 514
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.8323700000e-01  6.8229700000e-01 -5.5121000000e-01  7.6142000000e-02  3.4061100000e-01  8.9130200000e-01  2.2154750000e+00  3.6521200000e-01 -1.4029470000e+00  1.9554930000e+00  1.2439080000e+00 -1.6795970000e+00  3.1692070000e+00  4.0780800000e-01 -1.3335760000e+00
-ENERGY -1.526469749411e+02
-FORCES  1.3087800000e-02  2.4536000000e-03 -3.2282000000e-03 -2.7263000000e-03  4.2085000000e-03 -2.3058000000e-03  1.1480000000e-04 -1.3497000000e-03 -3.2717000000e-03 -1.4876000000e-03  7.4050000000e-04  3.1196000000e-03 -4.0601000000e-03 -5.4483000000e-03  5.5328000000e-03 -4.9286000000e-03 -6.0460000000e-04  1.5320000000e-04
-
-JOB 515
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.5830200000e-01  2.0190300000e-01 -3.7253800000e-01  1.4245700000e-01  3.1370000000e-03  9.4653500000e-01  2.2547450000e+00  5.9737400000e-01 -1.9547610000e+00  2.9410000000e+00  1.2375990000e+00 -2.1429060000e+00  2.7124510000e+00 -2.4270100000e-01 -1.9229710000e+00
-ENERGY -1.526596866129e+02
-FORCES  5.7220000000e-03  2.9665000000e-03 -1.5848000000e-03 -5.9051000000e-03 -4.7105000000e-03  6.6392000000e-03  2.3970000000e-04  6.0400000000e-05 -3.5737000000e-03  5.2075000000e-03  7.5090000000e-04 -3.6230000000e-03 -2.6010000000e-03 -3.6878000000e-03  4.8350000000e-04 -2.6632000000e-03  4.6205000000e-03  1.6587000000e-03
-
-JOB 516
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.1327900000e-01  5.1682600000e-01  6.9161000000e-01 -5.4462600000e-01 -6.3374500000e-01  4.6688500000e-01  2.2703760000e+00  2.0484190000e+00 -2.8011000000e-02  2.8934490000e+00  2.1752550000e+00  6.8747800000e-01  2.5135190000e+00  1.2057420000e+00 -4.1142800000e-01
-ENERGY -1.526577476766e+02
-FORCES -5.4520000000e-04  2.5203000000e-03  4.1767000000e-03 -2.7129000000e-03 -6.4711000000e-03 -1.6742000000e-03  2.6503000000e-03  3.0455000000e-03 -1.3243000000e-03  4.8373000000e-03 -2.3315000000e-03 -2.4001000000e-03 -3.8519000000e-03 -1.3589000000e-03 -2.4178000000e-03 -3.7770000000e-04  4.5958000000e-03  3.6397000000e-03
-
-JOB 517
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.6419400000e-01  2.6465900000e-01 -7.9417300000e-01 -5.1545300000e-01  7.6872200000e-01  2.4414600000e-01 -1.7788680000e+00  1.8954650000e+00  4.5713700000e-01 -1.9171800000e+00  2.5081900000e+00 -2.6513000000e-01 -1.9226100000e+00  2.4180960000e+00  1.2460770000e+00
-ENERGY -1.526582682301e+02
-FORCES -1.1098300000e-02  1.3204600000e-02  2.2833000000e-03 -2.5148000000e-03  6.3500000000e-04  1.9433000000e-03  6.8051000000e-03 -5.4846000000e-03 -1.8555000000e-03  4.7829000000e-03 -3.5821000000e-03 -1.7041000000e-03  1.4367000000e-03 -2.6925000000e-03  4.3942000000e-03  5.8840000000e-04 -2.0803000000e-03 -5.0613000000e-03
-
-JOB 518
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6377300000e-01  5.4829900000e-01 -1.7958500000e-01 -3.5488000000e-01 -8.8467600000e-01  8.7408000000e-02  5.6672900000e-01 -1.9739350000e+00  1.6662350000e+00 -2.9669200000e-01 -2.0298730000e+00  2.0756340000e+00  9.2106600000e-01 -1.1370630000e+00  1.9667700000e+00
-ENERGY -1.526555498520e+02
-FORCES  6.1110000000e-04 -9.6824000000e-03  2.9479000000e-03  2.4076000000e-03 -4.2057000000e-03  2.8651000000e-03 -3.5432000000e-03  6.3245000000e-03 -1.5019000000e-03 -5.7030000000e-04  1.2089900000e-02 -3.9510000000e-04  2.1943000000e-03  1.0468000000e-03 -5.0810000000e-03 -1.0996000000e-03 -5.5732000000e-03  1.1650000000e-03
-
-JOB 519
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.7593800000e-01  2.4264500000e-01  6.3282200000e-01  7.8979000000e-01  4.4247000000e-01  3.1094100000e-01  1.3961740000e+00  6.4481000000e-01 -2.3741420000e+00  2.1392370000e+00  7.2955000000e-02 -2.1816050000e+00  7.1935100000e-01  3.7624000000e-01 -1.7528430000e+00
-ENERGY -1.526596001243e+02
-FORCES -1.6300000000e-04  3.4973000000e-03  2.3793000000e-03  4.2971000000e-03 -7.9140000000e-04 -1.8377000000e-03 -4.0846000000e-03 -2.9652000000e-03 -3.6930000000e-03 -5.5209000000e-03 -5.6444000000e-03  6.0506000000e-03 -2.2292000000e-03  2.7127000000e-03  8.6970000000e-04  7.7006000000e-03  3.1910000000e-03 -3.7689000000e-03
-
-JOB 520
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2494000000e-01  2.5827200000e-01 -6.7747800000e-01  2.4863300000e-01 -8.9608500000e-01  2.2681600000e-01 -2.7890100000e-01  1.3301450000e+00  2.2816630000e+00 -1.0292400000e+00  1.9202460000e+00  2.3523990000e+00 -2.8782800000e-01  1.0388030000e+00  1.3699220000e+00
-ENERGY -1.526604630359e+02
-FORCES  2.5035000000e-03  6.2110000000e-04  7.0888000000e-03 -2.8778000000e-03 -1.8887000000e-03  3.6388000000e-03 -4.1910000000e-04  4.4248000000e-03 -2.9770000000e-03  4.5180000000e-04 -6.8618000000e-03 -1.3590500000e-02  2.1111000000e-03 -2.2664000000e-03 -2.4041000000e-03 -1.7696000000e-03  5.9711000000e-03  8.2440000000e-03
-
-JOB 521
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5623500000e-01  5.5688600000e-01 -1.8498400000e-01  7.0466400000e-01  3.6710700000e-01 -5.3377200000e-01  2.3793890000e+00  1.2419920000e+00 -7.5604300000e-01  3.2686450000e+00  9.0688400000e-01 -8.7075600000e-01  2.4904950000e+00  2.0518370000e+00 -2.5800800000e-01
-ENERGY -1.526602824699e+02
-FORCES  8.1472000000e-03  5.3705000000e-03 -4.4958000000e-03  3.3606000000e-03 -6.4740000000e-04  6.4410000000e-04 -8.9479000000e-03 -3.3782000000e-03  1.5501000000e-03  4.6440000000e-04 -6.5470000000e-04  4.2799000000e-03 -3.4866000000e-03  2.7218000000e-03  1.0989000000e-03  4.6220000000e-04 -3.4120000000e-03 -3.0772000000e-03
-
-JOB 522
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.8001300000e-01 -2.5690700000e-01 -2.7533100000e-01 -1.1682000000e-01  3.4611200000e-01  8.8475500000e-01 -2.6468800000e+00  1.2369500000e-01 -1.0373510000e+00 -3.3424120000e+00 -1.7946800000e-01 -4.5377600000e-01 -2.6249960000e+00 -5.2429000000e-01 -1.7415290000e+00
-ENERGY -1.526585591099e+02
-FORCES -1.2175300000e-02  2.9855000000e-03 -1.5016000000e-03  8.5254000000e-03 -4.4439000000e-03  2.4201000000e-03  2.1250000000e-04 -1.3747000000e-03 -2.3324000000e-03 -3.0980000000e-03 -1.1173000000e-03 -1.8694000000e-03  5.0346000000e-03  1.1823000000e-03 -2.3473000000e-03  1.5007000000e-03  2.7683000000e-03  5.6305000000e-03
-
-JOB 523
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.5080000000e-02  9.2632400000e-01  2.4068200000e-01 -9.2272900000e-01 -2.4692900000e-01 -6.1883000000e-02 -1.1395970000e+00  2.7933890000e+00 -4.2654600000e-01 -1.3996220000e+00  3.6220030000e+00 -2.4032000000e-02 -1.8192870000e+00  2.6191360000e+00 -1.0776140000e+00
-ENERGY -1.526590632760e+02
-FORCES -5.1586000000e-03  7.4886000000e-03  2.6420000000e-04  3.0390000000e-03 -7.0311000000e-03  1.2579000000e-03  2.6887000000e-03 -3.6720000000e-04 -5.0940000000e-04 -3.8138000000e-03  2.8534000000e-03 -2.6495000000e-03  8.8990000000e-04 -3.9540000000e-03 -2.0503000000e-03  2.3548000000e-03  1.0103000000e-03  3.6871000000e-03
-
-JOB 524
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2331600000e-01 -2.8256800000e-01  8.5548500000e-01 -6.6003700000e-01  6.6371700000e-01  2.0015600000e-01  3.0472200000e-01 -2.2669990000e+00  2.3214350000e+00  8.9634400000e-01 -1.6119630000e+00  2.6917640000e+00  7.9383200000e-01 -3.0882260000e+00  2.3723330000e+00
-ENERGY -1.526544378001e+02
-FORCES -2.5813000000e-03 -1.7912000000e-03  5.1231000000e-03  1.3619000000e-03  5.1721000000e-03 -2.2710000000e-03  2.7790000000e-03 -2.4053000000e-03 -6.8110000000e-04  4.5105000000e-03 -4.0721000000e-03  1.9062000000e-03 -3.7662000000e-03 -5.6430000000e-04 -4.6106000000e-03 -2.3039000000e-03  3.6608000000e-03  5.3340000000e-04
-
-JOB 525
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.0643800000e-01 -4.8383700000e-01  1.7830200000e-01  2.9673300000e-01  8.6369000000e-01 -2.8674300000e-01 -3.2947400000e-01 -1.7536920000e+00 -2.1936980000e+00 -4.7162100000e-01 -1.0765750000e+00 -1.5322300000e+00  5.4604600000e-01 -1.5742770000e+00 -2.5364920000e+00
-ENERGY -1.526591624880e+02
-FORCES  4.7665000000e-03 -1.0000000000e-06  3.9280000000e-04 -4.2102000000e-03  2.9408000000e-03 -3.0158000000e-03 -1.0008000000e-03 -5.5737000000e-03  1.4050000000e-04  1.9904000000e-03  9.3184000000e-03  8.2505000000e-03  4.5580000000e-04 -6.2346000000e-03 -7.6716000000e-03 -2.0018000000e-03 -4.4990000000e-04  1.9036000000e-03
-
-JOB 526
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.4807000000e-01 -2.7365400000e-01 -5.3078900000e-01 -2.7215500000e-01  8.3479000000e-01 -3.8116800000e-01  2.5823810000e+00 -1.9692110000e+00  1.6056640000e+00  3.2184670000e+00 -1.8197410000e+00  9.0617500000e-01  2.6815790000e+00 -2.8953190000e+00  1.8263810000e+00
-ENERGY -1.526527889186e+02
-FORCES  2.7595000000e-03  1.5158000000e-03 -2.8907000000e-03 -3.1492000000e-03  1.7545000000e-03  7.7180000000e-04  1.1787000000e-03 -3.4851000000e-03  1.7639000000e-03  2.8697000000e-03 -3.6890000000e-03 -8.5660000000e-04 -3.3930000000e-03 -1.1960000000e-04  2.1137000000e-03 -2.6570000000e-04  4.0235000000e-03 -9.0200000000e-04
-
-JOB 527
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.5804800000e-01 -4.5149000000e-01 -3.7115000000e-01 -3.6520100000e-01  5.5648300000e-01  6.8788600000e-01 -1.8757070000e+00 -1.9410830000e+00 -9.2472400000e-01 -2.1388790000e+00 -2.5574170000e+00 -2.4127400000e-01 -2.5828730000e+00 -1.9804240000e+00 -1.5686180000e+00
-ENERGY -1.526609487783e+02
-FORCES -7.8723000000e-03 -4.9334000000e-03 -2.4442000000e-03  6.0541000000e-03  7.3568000000e-03  3.7758000000e-03  4.2990000000e-04 -2.4550000000e-03 -2.0900000000e-03 -1.5841000000e-03 -2.6943000000e-03  8.5110000000e-04 -1.1600000000e-05  3.0791000000e-03 -3.8474000000e-03  2.9840000000e-03 -3.5320000000e-04  3.7547000000e-03
-
-JOB 528
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2921000000e-01 -8.7233700000e-01  3.7224200000e-01  8.8786800000e-01  2.4358000000e-01  2.6189800000e-01  1.0901120000e+00 -1.6572430000e+00 -2.4957310000e+00  1.7546770000e+00 -1.5226890000e+00 -3.1713640000e+00  1.1709170000e+00 -8.9367700000e-01 -1.9241820000e+00
-ENERGY -1.526571981871e+02
-FORCES -1.3210000000e-04 -3.0769000000e-03  5.7413000000e-03  1.2168000000e-03  4.8462000000e-03 -1.5053000000e-03 -3.3167000000e-03 -1.9324000000e-03 -4.1935000000e-03  2.1030000000e-04  5.0556000000e-03  5.3010000000e-04 -2.4779000000e-03  1.5740000000e-04  3.2210000000e-03  4.4997000000e-03 -5.0499000000e-03 -3.7936000000e-03
-
-JOB 529
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.1090200000e-01  7.9383900000e-01  1.5821000000e-01 -6.3809300000e-01 -6.3532700000e-01 -3.2469800000e-01  2.4030130000e+00  1.6712460000e+00  7.0619800000e-01  2.7856680000e+00  2.5459670000e+00  6.3787000000e-01  1.5871860000e+00  1.8032460000e+00  1.1891410000e+00
-ENERGY -1.526514493998e+02
-FORCES -4.1804000000e-03  4.6520000000e-04 -2.0061000000e-03  3.3365000000e-03 -2.6599000000e-03  1.3196000000e-03  3.2663000000e-03  2.8591000000e-03  1.0725000000e-03 -2.9522000000e-03  1.7323000000e-03  1.7523000000e-03 -2.0167000000e-03 -4.0023000000e-03 -2.7970000000e-04  2.5464000000e-03  1.6056000000e-03 -1.8584000000e-03
-
-JOB 530
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.4146700000e-01 -3.9719500000e-01  2.2450200000e-01 -7.9670000000e-02  2.2290500000e-01 -9.2746800000e-01  5.1286400000e-01  5.8169800000e-01 -2.5457280000e+00  3.4838800000e-01 -5.2358000000e-02 -3.2436910000e+00  1.1170100000e-01  1.3924960000e+00 -2.8586300000e+00
-ENERGY -1.526586990928e+02
-FORCES  2.2696000000e-03  2.5783000000e-03 -1.4614200000e-02  2.4265000000e-03  1.3845000000e-03 -3.2127000000e-03 -4.8395000000e-03 -8.1130000000e-04  9.6310000000e-03 -6.0990000000e-04 -1.6910000000e-03  1.8786000000e-03 -1.2400000000e-04  4.0623000000e-03  3.6906000000e-03  8.7730000000e-04 -5.5228000000e-03  2.6267000000e-03
-
-JOB 531
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.7487200000e-01 -6.9180000000e-01 -3.2736200000e-01 -5.8406300000e-01  5.9476400000e-01  4.7048600000e-01 -2.0754240000e+00  1.4990620000e+00  9.0434100000e-01 -2.7907410000e+00  9.6168500000e-01  5.6407700000e-01 -2.2918270000e+00  1.6300520000e+00  1.8275110000e+00
-ENERGY -1.526584178871e+02
-FORCES -1.3210900000e-02  7.9231000000e-03  5.0653000000e-03  5.4570000000e-04  2.0925000000e-03  8.4920000000e-04  6.8695000000e-03 -5.8611000000e-03 -2.3804000000e-03  1.6500000000e-05 -4.1918000000e-03 -6.4270000000e-04  4.6881000000e-03  1.6334000000e-03  2.3164000000e-03  1.0911000000e-03 -1.5960000000e-03 -5.2078000000e-03
-
-JOB 532
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.6730200000e-01  4.0466900000e-01  1.6168000000e-02  5.1792000000e-01  5.6526200000e-01 -5.7312300000e-01 -5.8072000000e-02  2.4347260000e+00  1.9017160000e+00  1.3476400000e-01  1.5496380000e+00  1.5924170000e+00 -9.9710600000e-01  2.5424850000e+00  1.7506000000e+00
-ENERGY -1.526573066544e+02
-FORCES -1.6103000000e-03  2.9535000000e-03 -6.2920000000e-03  4.8581000000e-03 -2.8430000000e-04  3.1506000000e-03 -2.6566000000e-03 -2.7795000000e-03  4.0931000000e-03 -1.7401000000e-03 -6.7129000000e-03 -1.9193000000e-03 -2.2732000000e-03  7.9615000000e-03  1.8810000000e-03  3.4220000000e-03 -1.1382000000e-03 -9.1350000000e-04
-
-JOB 533
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.2058800000e-01 -8.2178900000e-01  2.5298200000e-01 -6.1830400000e-01  4.0972300000e-01 -6.0502800000e-01 -8.3813800000e-01 -2.2864170000e+00  7.0855500000e-01 -1.4658050000e+00 -2.9622550000e+00  4.5260800000e-01 -1.4920000000e-03 -2.7472240000e+00  7.7111100000e-01
-ENERGY -1.526562518047e+02
-FORCES -1.0527200000e-02 -1.9432300000e-02  4.8811000000e-03  6.2876000000e-03  4.1065000000e-03 -1.6870000000e-04  3.8080000000e-04 -2.5527000000e-03  1.6922000000e-03  4.9948000000e-03  1.3327300000e-02 -6.9520000000e-03  4.5427000000e-03  2.0249000000e-03  1.5529000000e-03 -5.6786000000e-03  2.5263000000e-03 -1.0055000000e-03
-
-JOB 534
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6316400000e-01 -6.7070200000e-01 -1.6310800000e-01 -4.5254100000e-01  6.6322200000e-01  5.2112800000e-01  2.1531870000e+00 -1.9055380000e+00  4.3516000000e-02  1.8151090000e+00 -2.2740860000e+00  8.5967100000e-01  1.6584430000e+00 -1.0950020000e+00 -7.6873000000e-02
-ENERGY -1.526603280764e+02
-FORCES -2.9563000000e-03 -3.5330000000e-04  1.2455000000e-03  3.5145000000e-03  3.4815000000e-03  1.9038000000e-03  8.1390000000e-04 -3.9537000000e-03 -2.3854000000e-03 -7.1945000000e-03  7.5260000000e-03  3.4138000000e-03  8.0240000000e-04 -1.1100000000e-05 -2.5397000000e-03  5.0199000000e-03 -6.6894000000e-03 -1.6379000000e-03
-
-JOB 535
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.9496000000e-01  8.0625000000e-02 -9.0704500000e-01  3.5501800000e-01  7.7382000000e-01  4.3748900000e-01 -1.9795180000e+00  2.3277750000e+00  1.9615020000e+00 -2.2574450000e+00  1.4787490000e+00  1.6177810000e+00 -2.7604040000e+00  2.8781250000e+00  1.9018120000e+00
-ENERGY -1.526574516160e+02
-FORCES  3.6515000000e-03  4.0260000000e-03 -1.9312000000e-03 -1.1163000000e-03 -3.6360000000e-04  3.5930000000e-03 -1.2811000000e-03 -4.4934000000e-03 -2.5586000000e-03 -4.9196000000e-03 -1.8289000000e-03 -1.6817000000e-03  6.8770000000e-04  4.9282000000e-03  2.4163000000e-03  2.9778000000e-03 -2.2684000000e-03  1.6230000000e-04
-
-JOB 536
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0651800000e-01  9.2528700000e-01 -1.3200500000e-01 -9.4024000000e-02 -9.2016000000e-02  9.4811600000e-01  1.8914860000e+00 -1.7898500000e+00 -1.0425970000e+00  1.2751280000e+00 -1.9683820000e+00 -3.3234300000e-01  2.0956630000e+00 -8.5880900000e-01 -9.5481000000e-01
-ENERGY -1.526539706012e+02
-FORCES  1.0832000000e-03  2.0804000000e-03  5.9390000000e-04  5.6040000000e-04 -5.0471000000e-03  4.6010000000e-04  1.9222000000e-03 -1.4834000000e-03 -5.2267000000e-03 -1.0143300000e-02  9.8020000000e-03  5.4903000000e-03  2.8816000000e-03 -3.9325000000e-03  4.5720000000e-04  3.6958000000e-03 -1.4193000000e-03 -1.7748000000e-03
-
-JOB 537
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.7256100000e-01  3.4175000000e-02  9.1693700000e-01 -7.7771300000e-01 -3.0001100000e-01 -4.7052000000e-01 -1.5818310000e+00  3.2632700000e-01  1.9092070000e+00 -1.2307100000e+00  6.9544700000e-01  2.7195750000e+00 -2.4111510000e+00 -7.5471000000e-02  2.1680880000e+00
-ENERGY -1.526510790096e+02
-FORCES -2.0706400000e-02  2.1485000000e-03  1.7070000000e-02  5.6466000000e-03  2.4099000000e-03  4.0530000000e-03  1.8696000000e-03 -3.7380000000e-04 -1.1385000000e-03  9.2214000000e-03 -3.8744000000e-03 -1.2757000000e-02 -2.4940000000e-04 -3.6934000000e-03 -5.9444000000e-03  4.2183000000e-03  3.3832000000e-03 -1.2831000000e-03
-
-JOB 538
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.3807500000e-01  8.8005800000e-01 -3.5023700000e-01  1.9450000000e-01 -5.3637600000e-01 -7.6857100000e-01  1.1650600000e+00 -2.7172810000e+00  7.9867700000e-01  1.1393960000e+00 -3.3789180000e+00  1.4899150000e+00  2.5511600000e-01 -2.6320860000e+00  5.1411300000e-01
-ENERGY -1.526538465442e+02
-FORCES  2.4398000000e-03  1.7101000000e-03 -4.4953000000e-03  1.0091000000e-03 -3.6844000000e-03  1.7408000000e-03 -3.3550000000e-03  1.0757000000e-03  3.6306000000e-03 -4.7828000000e-03 -1.9020000000e-04  3.3677000000e-03  1.9790000000e-04  2.7393000000e-03 -2.5995000000e-03  4.4910000000e-03 -1.6505000000e-03 -1.6442000000e-03
-
-JOB 539
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.2495500000e-01  5.7876800000e-01 -2.3600800000e-01  5.7217500000e-01  5.4150500000e-01  5.4371000000e-01 -1.1054100000e+00  2.4220700000e+00  4.0941600000e-01 -1.8817800000e+00  2.9703420000e+00  2.9593000000e-01 -3.7899500000e-01  3.0430150000e+00  4.6400400000e-01
-ENERGY -1.526563961027e+02
-FORCES -5.9941000000e-03  1.4693300000e-02  4.3297000000e-03  2.1350000000e-04 -5.7048000000e-03 -2.9302000000e-03  1.5290000000e-03 -1.4774000000e-03 -1.2860000000e-03  3.5144000000e-03 -9.0880000000e-04 -5.7950000000e-04  4.1482000000e-03 -3.0663000000e-03 -7.5000000000e-06 -3.4110000000e-03 -3.5361000000e-03  4.7340000000e-04
-
-JOB 540
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.4131500000e-01 -8.0203000000e-02  8.9067600000e-01 -3.1094200000e-01  8.5407900000e-01 -3.0016000000e-01 -9.6764900000e-01  2.5119300000e+00 -3.7643100000e-01 -1.3330780000e+00  3.2925220000e+00  3.9945000000e-02 -2.3516200000e-01  2.8390870000e+00 -8.9860400000e-01
-ENERGY -1.526574761257e+02
-FORCES -8.2668000000e-03  1.2940500000e-02  2.7053000000e-03  1.2467000000e-03 -9.9980000000e-04 -1.7501000000e-03  6.2619000000e-03 -2.6958000000e-03 -4.7581000000e-03  1.9845000000e-03 -2.4000000000e-03  3.1173000000e-03  2.6107000000e-03 -2.5724000000e-03 -2.8572000000e-03 -3.8371000000e-03 -4.2725000000e-03  3.5428000000e-03
-
-JOB 541
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.2603800000e-01  1.8455600000e-01  7.0017700000e-01  7.7367600000e-01 -3.3626700000e-01  4.5230700000e-01 -1.0886020000e+00  8.4957300000e-01  2.2725150000e+00 -1.1053930000e+00 -3.0408000000e-02  2.6487900000e+00 -1.9707510000e+00  9.7844600000e-01  1.9240380000e+00
-ENERGY -1.526529425661e+02
-FORCES -3.5442000000e-03  7.8425000000e-03  1.8756000000e-02 -4.6645000000e-03 -5.8048000000e-03 -5.4230000000e-03 -2.2373000000e-03 -3.2220000000e-04 -1.2324000000e-03  6.7200000000e-04 -2.6059000000e-03 -3.6293000000e-03  1.8843000000e-03  4.2267000000e-03 -6.5474000000e-03  7.8898000000e-03 -3.3362000000e-03 -1.9238000000e-03
-
-JOB 542
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4732800000e-01  6.5328800000e-01  5.3790800000e-01 -3.5144700000e-01  1.3264000000e-01 -8.8041100000e-01 -8.3152500000e-01  2.4311240000e+00  2.1294830000e+00 -1.5334400000e-01  2.8503630000e+00  1.5998210000e+00 -1.6287930000e+00  2.5113810000e+00  1.6058860000e+00
-ENERGY -1.526565327936e+02
-FORCES -3.2786000000e-03  2.8276000000e-03  1.3863000000e-03  1.6383000000e-03 -3.2162000000e-03 -7.1586000000e-03  1.1143000000e-03  4.1600000000e-04  3.9056000000e-03 -3.1070000000e-04  6.2842000000e-03 -8.4800000000e-04 -4.2345000000e-03 -3.5371000000e-03  1.6912000000e-03  5.0712000000e-03 -2.7744000000e-03  1.0233000000e-03
-
-JOB 543
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.2919700000e-01  7.7425000000e-02 -2.1640100000e-01 -2.0910800000e-01 -9.1934200000e-01 -1.6527700000e-01 -1.7834680000e+00  1.8205570000e+00  2.9636500000e-01 -1.2243050000e+00  2.5357040000e+00 -7.1690000000e-03 -1.3040130000e+00  1.0255470000e+00  6.3313000000e-02
-ENERGY -1.526549205788e+02
-FORCES -6.8333000000e-03  1.1064000000e-02  9.2310000000e-04 -4.5190000000e-03 -2.1311000000e-03  9.6560000000e-04  8.7300000000e-04  5.8591000000e-03  6.0580000000e-04  1.7706500000e-02 -1.2970700000e-02 -3.3318000000e-03 -9.7070000000e-04 -1.2281000000e-03  8.6850000000e-04 -6.2564000000e-03 -5.9310000000e-04 -3.1200000000e-05
-
-JOB 544
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.4009000000e-02  7.5090600000e-01 -5.9197600000e-01  8.3754600000e-01 -4.4810800000e-01 -1.1809900000e-01  2.6524440000e+00 -1.1395600000e+00  3.3184700000e-01  3.3555610000e+00 -1.3457680000e+00 -2.8405600000e-01  3.0142660000e+00 -1.3574390000e+00  1.1908260000e+00
-ENERGY -1.526608897272e+02
-FORCES  8.9860000000e-03 -1.5532000000e-03 -6.3630000000e-04  3.1470000000e-04 -2.5253000000e-03  1.5342000000e-03 -8.7339000000e-03  3.4804000000e-03 -2.4233000000e-03  2.2609000000e-03 -9.8930000000e-04  3.0320000000e-03 -2.9883000000e-03  1.2070000000e-03  3.2101000000e-03  1.6070000000e-04  3.8040000000e-04 -4.7167000000e-03
-
-JOB 545
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.2870200000e-01  9.4826500000e-01 -2.1463000000e-02  6.9732900000e-01 -1.3307200000e-01  6.4207100000e-01  1.5470500000e+00  9.7718000000e-01 -2.1630940000e+00  1.4926100000e+00  3.3366700000e-01 -1.4565820000e+00  2.3058660000e+00  1.5159200000e+00 -1.9390640000e+00
-ENERGY -1.526561920855e+02
-FORCES -7.7510000000e-04  6.6848000000e-03  6.6820000000e-04  1.6115000000e-03 -5.2357000000e-03  1.6623000000e-03 -7.9550000000e-04  1.0879000000e-03 -6.5832000000e-03 -1.9746000000e-03 -5.1744000000e-03  6.1046000000e-03  5.9980000000e-03  4.8723000000e-03 -3.0729000000e-03 -4.0643000000e-03 -2.2350000000e-03  1.2210000000e-03
-
-JOB 546
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.0786200000e-01 -7.8133500000e-01 -3.7335700000e-01  8.8198800000e-01 -2.8217700000e-01  2.4229200000e-01  2.5811030000e+00 -1.4511860000e+00 -3.7098000000e-02  2.2865740000e+00 -2.3476550000e+00  1.2361200000e-01  3.5357480000e+00 -1.4995390000e+00  1.3356000000e-02
-ENERGY -1.526593586622e+02
-FORCES  7.5161000000e-03 -5.4401000000e-03 -1.7609000000e-03  7.9270000000e-04  1.9017000000e-03  1.6328000000e-03 -8.1813000000e-03  2.5779000000e-03  1.1387000000e-03  3.6283000000e-03 -2.7707000000e-03  1.5480000000e-04  6.3770000000e-04  4.8236000000e-03 -7.9260000000e-04 -4.3935000000e-03 -1.0924000000e-03 -3.7290000000e-04
-
-JOB 547
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.7470000000e-02 -8.0804100000e-01  5.0867300000e-01  8.3532700000e-01  4.4467100000e-01  1.4397600000e-01 -2.6554410000e+00 -8.7134400000e-01 -4.6183000000e-01 -2.2859990000e+00 -1.6331520000e+00 -9.0836400000e-01 -1.9087910000e+00 -2.8843800000e-01 -3.2410900000e-01
-ENERGY -1.526595410079e+02
-FORCES  1.7114000000e-03 -3.6780000000e-04  2.0271000000e-03 -9.0830000000e-04  4.1674000000e-03 -3.6452000000e-03 -3.1017000000e-03 -3.5963000000e-03  9.3500000000e-05  9.3618000000e-03  3.4352000000e-03 -2.2729000000e-03 -9.8940000000e-04  1.4212000000e-03  2.6091000000e-03 -6.0737000000e-03 -5.0598000000e-03  1.1885000000e-03
-
-JOB 548
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.0890000000e-01 -3.1527500000e-01  7.4689700000e-01  5.2350500000e-01 -2.3866100000e-01 -7.6499300000e-01 -1.8844720000e+00  5.8145400000e-01  1.7438960000e+00 -2.2042850000e+00 -2.9826900000e-01  1.5437980000e+00 -1.3061910000e+00  7.9866400000e-01  1.0127040000e+00
-ENERGY -1.526581919317e+02
-FORCES -2.7150000000e-03  9.9480000000e-04  5.1552000000e-03 -2.4940000000e-03  1.6735000000e-03 -5.0513000000e-03 -1.9522000000e-03 -4.5960000000e-04  5.0050000000e-03  7.0847000000e-03 -4.9363000000e-03 -1.3375000000e-02  4.5360000000e-04  1.5759000000e-03  2.3986000000e-03 -3.7710000000e-04  1.1517000000e-03  5.8675000000e-03
-
-JOB 549
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.8387000000e-02 -5.3128800000e-01  7.9474800000e-01  9.2907400000e-01  2.1157900000e-01 -9.1037000000e-02  1.4890780000e+00 -1.2936630000e+00 -2.2801210000e+00  8.3774800000e-01 -1.7740520000e+00 -2.7912250000e+00  1.1553540000e+00 -3.9709600000e-01 -2.2480740000e+00
-ENERGY -1.526544001119e+02
-FORCES  5.5273000000e-03 -5.5194000000e-03  2.1197000000e-03 -2.8120000000e-04  2.6304000000e-03 -2.5511000000e-03 -4.2417000000e-03  1.3732000000e-03 -2.0278000000e-03 -8.7290000000e-03  1.8264000000e-03  7.2570000000e-04  3.1738000000e-03  1.2672000000e-03  1.0822000000e-03  4.5508000000e-03 -1.5778000000e-03  6.5150000000e-04
-
-JOB 550
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.4923800000e-01 -8.8442100000e-01  1.0983700000e-01 -4.6488100000e-01 -2.7693000000e-02 -8.3627200000e-01 -8.8202300000e-01 -5.1242500000e-01  2.6031140000e+00 -1.6069960000e+00  1.0206400000e-01  2.4888800000e+00 -7.9140300000e-01 -9.3785400000e-01  1.7504540000e+00
-ENERGY -1.526516006650e+02
-FORCES  1.7696000000e-03 -2.5370000000e-03 -3.3510000000e-04 -6.1817000000e-03  3.4917000000e-03  3.1493000000e-03  1.2368000000e-03  2.3180000000e-04  5.5483000000e-03 -4.1920000000e-04  6.7887000000e-03 -1.2498800000e-02  1.0672000000e-03 -2.3903000000e-03  2.4497000000e-03  2.5274000000e-03 -5.5849000000e-03  1.6865000000e-03
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-JOB 551
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.8466300000e-01 -7.7297800000e-01 -2.8954800000e-01 -4.3980100000e-01  3.1693600000e-01 -7.8889700000e-01  2.2624730000e+00  1.1991840000e+00  6.5082200000e-01  2.6417740000e+00  3.2569400000e-01  7.4766800000e-01  1.3191570000e+00  1.0464240000e+00  5.9558400000e-01
-ENERGY -1.526561592317e+02
-FORCES  9.6687000000e-03  2.1506000000e-03 -3.0482000000e-03 -1.4649000000e-03  4.1853000000e-03  2.0683000000e-03  2.9600000000e-03 -1.6990000000e-03  4.0160000000e-03 -1.6443000000e-02 -1.0240000000e-02 -3.2395000000e-03 -1.1079000000e-03  1.2658000000e-03 -1.3733000000e-03  6.3872000000e-03  4.3373000000e-03  1.5767000000e-03
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-JOB 552
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.5391600000e-01 -1.1909800000e-01 -4.1578300000e-01  5.9548500000e-01  1.9003700000e-01 -7.2492400000e-01  2.3457020000e+00 -3.1630410000e+00 -1.3096480000e+00  2.6584280000e+00 -2.7799660000e+00 -2.1292140000e+00  2.5574250000e+00 -2.5095000000e+00 -6.4309800000e-01
-ENERGY -1.526542330051e+02
-FORCES -2.1489000000e-03 -2.2670000000e-04 -4.9449000000e-03  3.4732000000e-03  1.0598000000e-03  1.7550000000e-03 -1.5663000000e-03 -8.8030000000e-04  3.2059000000e-03  2.0760000000e-03  3.8073000000e-03  4.0630000000e-04 -1.6587000000e-03 -1.1122000000e-03  3.2982000000e-03 -1.7520000000e-04 -2.6479000000e-03 -3.7206000000e-03
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-JOB 553
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6919300000e-01  6.9198900000e-01  3.3675100000e-01  4.0699200000e-01 -8.1274900000e-01  3.0004600000e-01 -1.4047000000e-02 -2.5045020000e+00  1.6498370000e+00  7.0271000000e-01 -2.6076720000e+00  2.2758140000e+00 -7.2723800000e-01 -3.0296200000e+00  2.0129370000e+00
-ENERGY -1.526578274298e+02
-FORCES  1.9093000000e-03 -4.9695000000e-03  5.0170000000e-03 -1.7209000000e-03 -2.8236000000e-03 -6.6630000000e-04  2.2441000000e-03  7.0396000000e-03 -4.2282000000e-03 -3.5510000000e-03 -2.1688000000e-03  3.7370000000e-03 -2.8689000000e-03  1.4804000000e-03 -3.4433000000e-03  3.9874000000e-03  1.4419000000e-03 -4.1630000000e-04
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-JOB 554
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.0893600000e-01  8.0333700000e-01  4.1885700000e-01  5.3977700000e-01 -8.3690000000e-02 -7.8604600000e-01 -1.9604100000e-01  2.3410220000e+00  1.2515120000e+00  9.4643000000e-02  3.2477510000e+00  1.3493780000e+00 -8.6678300000e-01  2.2299810000e+00  1.9253120000e+00
-ENERGY -1.526590581017e+02
-FORCES  5.0330000000e-04  1.2186100000e-02  4.0690000000e-03  1.3104000000e-03 -7.9389000000e-03 -3.0040000000e-03 -1.1218000000e-03  1.9659000000e-03  2.7277000000e-03 -2.3189000000e-03 -4.5746000000e-03 -9.9390000000e-04 -2.2980000000e-03 -4.0777000000e-03 -1.8770000000e-04  3.9250000000e-03  2.4392000000e-03 -2.6111000000e-03
-
-JOB 555
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2104700000e-01  7.2749600000e-01 -3.5816000000e-02  5.0525400000e-01 -7.2941000000e-01  3.5904200000e-01 -1.1086860000e+00 -1.0546150000e+00 -3.0186590000e+00 -1.1533320000e+00 -1.8739760000e+00 -3.5114930000e+00 -1.7201500000e-01 -8.9457700000e-01 -2.9034720000e+00
-ENERGY -1.526531978581e+02
-FORCES  3.3473000000e-03  8.4800000000e-05  2.9041000000e-03 -2.5990000000e-03 -3.5197000000e-03 -7.7080000000e-04 -1.8634000000e-03  3.0923000000e-03 -2.1748000000e-03  4.0883000000e-03 -1.5272000000e-03  3.9910000000e-04  1.9850000000e-04  3.1849000000e-03  2.4943000000e-03 -3.1718000000e-03 -1.3152000000e-03 -2.8519000000e-03
-
-JOB 556
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.0618800000e-01  7.4743100000e-01  5.8847400000e-01 -8.7974300000e-01 -3.2842600000e-01  1.8552700000e-01  8.8572000000e-02 -1.7336900000e+00 -2.2939130000e+00  2.2787500000e-01 -1.0540480000e+00 -1.6344330000e+00  9.6575700000e-01 -2.0652990000e+00 -2.4857820000e+00
-ENERGY -1.526611818627e+02
-FORCES -2.1827000000e-03  1.6284000000e-03  2.0466000000e-03 -1.7629000000e-03 -3.7810000000e-03 -1.3831000000e-03  4.9992000000e-03  2.3596000000e-03 -1.3943000000e-03  4.3382000000e-03  5.0867000000e-03  5.8257000000e-03 -2.8787000000e-03 -6.6178000000e-03 -5.7129000000e-03 -2.5130000000e-03  1.3242000000e-03  6.1800000000e-04
-
-JOB 557
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.8914000000e-02  9.4807500000e-01 -8.7182000000e-02  9.2195400000e-01 -1.2544400000e-01  2.2471400000e-01 -8.5108500000e-01 -6.7167300000e-01 -2.4491350000e+00 -2.3196600000e-01 -1.2646730000e+00 -2.8748990000e+00 -5.1855600000e-01 -5.7805300000e-01 -1.5564470000e+00
-ENERGY -1.526597834657e+02
-FORCES  6.4880000000e-04  2.2111000000e-03 -5.8239000000e-03  1.3698000000e-03 -5.8204000000e-03  2.2680000000e-04 -4.6830000000e-03  1.0165000000e-03 -2.0649000000e-03  6.3838000000e-03  1.5825000000e-03  1.5160500000e-02 -6.4680000000e-04  1.9170000000e-03  2.7133000000e-03 -3.0727000000e-03 -9.0660000000e-04 -1.0211700000e-02
-
-JOB 558
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0839300000e-01 -1.0262200000e-01 -8.5960200000e-01 -3.9812200000e-01 -8.5171200000e-01  1.7976900000e-01  1.4054340000e+00  3.0711000000e-02 -2.5961220000e+00  1.1482810000e+00  9.2084900000e-01 -2.8364500000e+00  1.1133040000e+00 -5.0990000000e-01 -3.3300370000e+00
-ENERGY -1.526612826534e+02
-FORCES  4.3351000000e-03 -3.5479000000e-03 -7.5847000000e-03 -6.5135000000e-03  1.6575000000e-03  8.7339000000e-03  1.2960000000e-03  2.4589000000e-03 -1.2818000000e-03 -6.0310000000e-04  2.0601000000e-03 -5.4742000000e-03  4.7950000000e-04 -5.4851000000e-03  1.7806000000e-03  1.0061000000e-03  2.8564000000e-03  3.8262000000e-03
-
-JOB 559
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.9548600000e-01  7.7429100000e-01 -4.7895100000e-01  9.5025700000e-01 -5.1570000000e-03 -1.1496800000e-01  2.3314500000e-01 -5.2882300000e-01 -2.9608210000e+00  2.1437100000e-01 -1.3264000000e+00 -2.4319070000e+00  1.6896100000e-01  1.8297100000e-01 -2.3240630000e+00
-ENERGY -1.526524813725e+02
-FORCES  2.7220000000e-03  3.6189000000e-03 -1.2841000000e-03  2.8956000000e-03 -5.5681000000e-03 -2.6145000000e-03 -5.5926000000e-03 -5.2010000000e-04 -1.4289000000e-03 -2.5617000000e-03 -2.4105000000e-03  9.9489000000e-03  1.7217000000e-03  1.7196000000e-03 -4.2794000000e-03  8.1500000000e-04  3.1602000000e-03 -3.4200000000e-04
-
-JOB 560
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.0093200000e-01  1.0927100000e-01 -8.6229100000e-01 -9.3223600000e-01 -1.1842100000e-01 -1.8205800000e-01  1.8193300000e-01  2.2756400000e+00  1.7302260000e+00  8.1745000000e-02  2.9472930000e+00  1.0556320000e+00 -1.6381600000e-01  1.4785750000e+00  1.3285100000e+00
-ENERGY -1.526579355079e+02
-FORCES  1.8193000000e-03  7.8600000000e-04 -4.6200000000e-03 -3.0433000000e-03 -9.5320000000e-04  3.6045000000e-03  4.9431000000e-03  3.4333000000e-03  2.5248000000e-03 -1.9760000000e-04 -7.6045000000e-03 -9.2136000000e-03  3.1070000000e-04 -1.8023000000e-03  1.8900000000e-03 -3.8321000000e-03  6.1408000000e-03  5.8144000000e-03
-
-JOB 561
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  2.0546200000e-01 -8.1584800000e-01  4.5651800000e-01 -2.3028200000e-01 -2.7330700000e-01 -8.8797800000e-01 -2.4315880000e+00  1.3768960000e+00  2.2620100000e-01 -1.6527610000e+00  9.4391000000e-01  5.7574900000e-01 -2.2254150000e+00  1.5344800000e+00 -6.9515200000e-01
-ENERGY -1.526581870910e+02
-FORCES -2.6243000000e-03 -3.2434000000e-03 -3.0458000000e-03 -1.9437000000e-03  4.2395000000e-03 -2.2020000000e-03  5.5110000000e-04  2.2078000000e-03  4.3537000000e-03  1.2957100000e-02 -4.8050000000e-03 -2.3509000000e-03 -7.5632000000e-03  2.6930000000e-03  1.9508000000e-03 -1.3770000000e-03 -1.0919000000e-03  1.2942000000e-03
-
-JOB 562
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0784500000e-01 -9.1171000000e-01  2.0449400000e-01 -8.3204800000e-01  4.6327800000e-01  9.6443000000e-02 -3.0377170000e+00 -1.1914300000e+00 -5.4163900000e-01 -2.8220730000e+00 -1.9567520000e+00 -8.7130000000e-03 -3.9925120000e+00 -1.1345700000e+00 -5.0468100000e-01
-ENERGY -1.526558790855e+02
-FORCES -7.4536000000e-03 -2.2167000000e-03 -6.8620000000e-04  1.8043000000e-03  2.0047000000e-03  3.9150000000e-04  5.4542000000e-03  2.1720000000e-04  1.1445000000e-03 -4.7030000000e-03 -3.9172000000e-03  1.1158000000e-03  5.0980000000e-04  4.1219000000e-03 -1.8825000000e-03  4.3883000000e-03 -2.1000000000e-04 -8.3200000000e-05
-
-JOB 563
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4163000000e-02  3.1916700000e-01  9.0134000000e-01  7.4726000000e-02 -9.5045300000e-01  8.5359000000e-02 -1.5047700000e-01 -1.9828770000e+00 -2.4160410000e+00 -8.5837000000e-02 -2.3025820000e+00 -3.3159540000e+00 -9.1576800000e-01 -2.4314440000e+00 -2.0563890000e+00
-ENERGY -1.526538429617e+02
-FORCES  1.3618000000e-03 -3.7346000000e-03  2.0985000000e-03  5.5400000000e-05 -1.3716000000e-03 -4.1517000000e-03 -1.9316000000e-03  4.0288000000e-03  2.3078000000e-03 -3.2125000000e-03 -1.8946000000e-03 -3.9782000000e-03 -5.4710000000e-04  1.4058000000e-03  3.7685000000e-03  4.2739000000e-03  1.5662000000e-03 -4.4900000000e-05
-
-JOB 564
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.3146000000e-01  1.5005000000e-02  7.9596300000e-01  5.9667700000e-01  2.8433900000e-01 -6.9235800000e-01  3.0122050000e+00  3.2063640000e+00 -3.6999000000e-02  2.6986290000e+00  2.5215540000e+00 -6.2771000000e-01  2.4078190000e+00  3.9360240000e+00 -1.7317800000e-01
-ENERGY -1.526536702386e+02
-FORCES  4.5120000000e-03  5.8470000000e-04  1.1672000000e-03 -2.4320000000e-03 -1.9250000000e-04 -3.8000000000e-03 -2.0379000000e-03 -2.2680000000e-04  2.5495000000e-03 -3.6845000000e-03  1.3390000000e-03 -3.1676000000e-03  8.7520000000e-04  1.7034000000e-03  2.7336000000e-03  2.7672000000e-03 -3.2078000000e-03  5.1740000000e-04
-
-JOB 565
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -8.3410200000e-01 -2.4623500000e-01  3.9984300000e-01 -1.8434600000e-01  8.2336100000e-01 -4.5202300000e-01 -6.7852500000e-01  1.6451080000e+00 -2.0836770000e+00 -1.4979780000e+00  1.6734440000e+00 -2.5775650000e+00 -1.9602500000e-01  9.0970300000e-01 -2.4613100000e+00
-ENERGY -1.526592423009e+02
-FORCES -7.6234000000e-03  8.9248000000e-03 -5.9367000000e-03  2.3336000000e-03  4.8980000000e-04 -1.4158000000e-03  5.4110000000e-03 -6.5313000000e-03  2.3009000000e-03 -1.3169000000e-03 -6.5516000000e-03 -1.9070000000e-04  4.0032000000e-03 -1.0272000000e-03  1.5639000000e-03 -2.8075000000e-03  4.6954000000e-03  3.6784000000e-03
-
-JOB 566
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0252700000e-01  2.2670600000e-01 -2.2423300000e-01  5.1810800000e-01  3.1804700000e-01 -7.3935300000e-01  1.0472040000e+00 -2.4042420000e+00  9.5041000000e-02  5.2357700000e-01 -2.6311410000e+00  8.6352200000e-01  7.8530700000e-01 -1.5085230000e+00 -1.1786600000e-01
-ENERGY -1.526552155397e+02
-FORCES  2.3660000000e-04 -8.4617000000e-03 -1.7580000000e-03  5.1864000000e-03 -2.5540000000e-04  1.1511000000e-03 -2.4562000000e-03 -7.0350000000e-03  4.4590000000e-03 -1.1385100000e-02  1.7582000000e-02  3.6708000000e-03  1.0943000000e-03 -1.0547000000e-03 -1.6999000000e-03  7.3241000000e-03 -7.7530000000e-04 -5.8230000000e-03
-
-JOB 567
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.6515100000e-01 -6.8684000000e-01 -4.5340000000e-02  8.3095700000e-01 -4.6331600000e-01 -1.0526100000e-01  1.8345250000e+00  1.8480100000e-01 -2.7740880000e+00  2.5203620000e+00  1.4127300000e-01 -2.1077810000e+00  2.3041630000e+00  3.5127000000e-01 -3.5913760000e+00
-ENERGY -1.526525782017e+02
-FORCES  5.0670000000e-04 -4.9050000000e-03 -3.5600000000e-03  2.3349000000e-03  2.7735000000e-03  9.2710000000e-04 -1.6855000000e-03  2.1370000000e-03  1.8272000000e-03  4.7671000000e-03  1.9503000000e-03 -1.0100000000e-03 -3.5440000000e-03 -1.3035000000e-03 -1.7133000000e-03 -2.3792000000e-03 -6.5230000000e-04  3.5289000000e-03
-
-JOB 568
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.7857600000e-01 -5.3036000000e-02 -5.5429100000e-01  1.2437600000e-01 -8.9168700000e-01  3.2504900000e-01  3.0700080000e+00 -3.0207900000e-01  1.6361310000e+00  3.2513720000e+00 -3.8610200000e-01  2.5722280000e+00  3.7833870000e+00  2.4124600000e-01  1.3012880000e+00
-ENERGY -1.526542660084e+02
-FORCES -1.1512000000e-03 -4.6166000000e-03  3.1300000000e-05  3.3989000000e-03  4.5510000000e-04  2.2630000000e-03 -2.6288000000e-03  3.2978000000e-03 -2.0309000000e-03  3.6507000000e-03  3.4482000000e-03  1.8145000000e-03 -9.5760000000e-04 -1.4800000000e-05 -3.8865000000e-03 -2.3121000000e-03 -2.5696000000e-03  1.8086000000e-03
-
-JOB 569
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  7.1624000000e-01  3.2594200000e-01 -5.4497100000e-01 -4.5327600000e-01 -6.3533000000e-01 -5.5419300000e-01  2.0184000000e-02  1.7145010000e+00  1.9874400000e+00  1.7746200000e-01  2.6277900000e+00  1.7478600000e+00  3.9196000000e-02  1.2414630000e+00  1.1555110000e+00
-ENERGY -1.526559549720e+02
-FORCES -2.5686000000e-03  3.1989000000e-03  5.1126000000e-03 -5.2239000000e-03  8.9890000000e-04  4.6064000000e-03  4.3337000000e-03  2.7462000000e-03  1.1778000000e-03 -2.6538000000e-03 -9.4438000000e-03 -1.0685400000e-02  1.1480000000e-04 -4.1110000000e-03 -1.7165000000e-03  5.9978000000e-03  6.7107000000e-03  1.5051000000e-03
-
-JOB 570
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.1313300000e-01 -9.0386400000e-01 -3.4766000000e-02 -2.1652000000e-02  2.8182300000e-01 -9.1451600000e-01 -2.8745000000e-02 -4.2395900000e-01 -2.9521400000e+00 -8.6210000000e-03 -1.2050910000e+00 -3.5050050000e+00  4.7773000000e-02  3.0653100000e-01 -3.5659480000e+00
-ENERGY -1.526589693259e+02
-FORCES  8.8570000000e-04 -4.6047000000e-03 -9.8956000000e-03 -7.7000000000e-04  1.9895000000e-03  2.1968000000e-03  1.5370000000e-04  4.0733000000e-03  6.1556000000e-03 -6.5700000000e-05 -2.0404000000e-03 -3.7641000000e-03  1.9980000000e-04  3.8735000000e-03  1.7090000000e-03 -4.0350000000e-04 -3.2912000000e-03  3.5983000000e-03
-
-JOB 571
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.4452300000e-01 -1.1568000000e-02 -9.4615600000e-01  8.4029000000e-01  2.7362600000e-01  3.6779500000e-01  2.4195090000e+00  9.4143400000e-01  4.0087600000e-01  2.1713240000e+00  9.1421800000e-01  1.3249410000e+00  2.4847380000e+00  1.8744540000e+00  1.9728200000e-01
-ENERGY -1.526524505428e+02
-FORCES  2.0694100000e-02  6.7989000000e-03 -3.1594000000e-03 -2.0941000000e-03  1.7750000000e-04  1.5204000000e-03 -2.5857000000e-03 -4.7090000000e-04  1.1132000000e-02 -9.7862000000e-03  1.6544000000e-03 -1.2388000000e-03 -6.0628000000e-03 -2.8418000000e-03 -9.4961000000e-03 -1.6530000000e-04 -5.3180000000e-03  1.2418000000e-03
-
-JOB 572
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.2964500000e-01  2.2202500000e-01  7.6577600000e-01 -4.9242000000e-01  3.5056400000e-01 -7.4219900000e-01 -1.6407480000e+00  7.4665900000e-01  1.7243110000e+00 -1.3528600000e+00  1.1043600000e-01  2.3789650000e+00 -2.4361180000e+00  3.6531000000e-01  1.3525710000e+00
-ENERGY -1.526496018431e+02
-FORCES -2.1643500000e-02  1.3752100000e-02  1.9749700000e-02  3.4267000000e-03 -8.6620000000e-03  2.2619000000e-03 -2.1580000000e-04 -1.4336000000e-03  1.7970000000e-03  9.9977000000e-03 -8.2939000000e-03 -1.4701700000e-02  2.1292000000e-03  2.8475000000e-03 -9.7967000000e-03  6.3057000000e-03  1.7899000000e-03  6.8970000000e-04
-
-JOB 573
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  6.2766800000e-01  6.2411200000e-01 -3.6434600000e-01  1.4474800000e-01 -8.0444700000e-01 -4.9814100000e-01  1.5207700000e+00 -1.4642790000e+00  2.1194390000e+00  2.4253430000e+00 -1.2160420000e+00  1.9287640000e+00  9.9169400000e-01 -8.7302400000e-01  1.5839680000e+00
-ENERGY -1.526600211390e+02
-FORCES  9.8700000000e-04 -1.7950000000e-04 -6.5252000000e-03 -2.0899000000e-03 -4.0661000000e-03  2.8610000000e-03  5.6690000000e-04  4.6362000000e-03  4.1729000000e-03 -2.6997000000e-03  6.8779000000e-03 -5.1641000000e-03 -3.2125000000e-03 -6.2830000000e-04 -2.7060000000e-04  6.4482000000e-03 -6.6401000000e-03  4.9260000000e-03
-
-JOB 574
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.2469500000e-01  7.6304400000e-01  3.9195700000e-01 -3.8783400000e-01 -4.6575700000e-01  7.4086900000e-01  5.1670300000e-01 -1.6486550000e+00 -2.3307150000e+00  4.8888000000e-01 -2.6012860000e+00 -2.2415400000e+00  1.7768900000e-01 -1.3196840000e+00 -1.4982010000e+00
-ENERGY -1.526592367264e+02
-FORCES  2.7446000000e-03  3.5022000000e-03  2.3212000000e-03 -3.0193000000e-03 -3.4306000000e-03  1.0990000000e-04  2.3126000000e-03  1.0267000000e-03 -4.5470000000e-03 -1.3271000000e-03  3.2432000000e-03  7.1223000000e-03 -3.1320000000e-04  3.5258000000e-03  1.0340000000e-03 -3.9760000000e-04 -7.8674000000e-03 -6.0404000000e-03
-
-JOB 575
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.5011200000e-01 -9.2376000000e-01 -1.8513000000e-02 -3.1798300000e-01  3.1783400000e-01  8.4504400000e-01 -5.7423600000e-01  2.2383070000e+00  1.9656650000e+00 -1.4720410000e+00  2.2737600000e+00  2.2956980000e+00 -1.0960900000e-01  1.6844840000e+00  2.5930670000e+00
-ENERGY -1.526556297305e+02
-FORCES -2.9788000000e-03  2.3129000000e-03  3.7613000000e-03  4.6940000000e-04  4.2267000000e-03  1.0844000000e-03  2.8719000000e-03 -7.5358000000e-03 -1.8354000000e-03 -1.4345000000e-03  2.6300000000e-03  4.7900000000e-03  4.6369000000e-03 -1.3192000000e-03 -1.8941000000e-03 -3.5650000000e-03 -3.1450000000e-04 -5.9061000000e-03
-
-JOB 576
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.6936600000e-01  4.9660100000e-01  2.7874000000e-01 -1.2209700000e-01 -8.6782200000e-01  3.8497800000e-01  1.4986160000e+00  1.3023000000e+00 -2.2559710000e+00  2.0418940000e+00  9.7342700000e-01 -1.5397840000e+00  1.9354170000e+00  2.1055510000e+00 -2.5392110000e+00
-ENERGY -1.526543796340e+02
-FORCES -5.2871000000e-03  1.1760000000e-04  9.0360000000e-04  3.0452000000e-03 -2.6200000000e-03 -1.5050000000e-04  1.1738000000e-03  3.7952000000e-03 -1.9830000000e-03  2.7755000000e-03 -6.4220000000e-04  4.6082000000e-03  8.1920000000e-04  2.3870000000e-03 -5.0187000000e-03 -2.5267000000e-03 -3.0376000000e-03  1.6406000000e-03
-
-JOB 577
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3608900000e-01  5.3378000000e-02 -9.4597200000e-01 -9.5023000000e-01 -5.1360000000e-02  1.0323600000e-01 -2.7407780000e+00  7.5195900000e-01  2.4154200000e-01 -3.3360670000e+00  1.5561000000e-01  6.9566800000e-01 -2.6325210000e+00  1.4878700000e+00  8.4399200000e-01
-ENERGY -1.526609881119e+02
-FORCES -1.1234700000e-02  2.5825000000e-03 -2.8544000000e-03 -2.2740000000e-04 -1.5670000000e-04  2.8176000000e-03  9.1083000000e-03 -3.9915000000e-03  9.8290000000e-04 -7.6830000000e-04  3.5154000000e-03  3.7587000000e-03  4.5588000000e-03  2.4927000000e-03 -1.9841000000e-03 -1.4366000000e-03 -4.4424000000e-03 -2.7208000000e-03
-
-JOB 578
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -4.4730200000e-01  2.9857100000e-01  7.9183900000e-01 -4.0495300000e-01 -8.4377900000e-01 -2.0070200000e-01 -1.2043120000e+00 -2.4073250000e+00  6.1714700000e-01 -9.4892400000e-01 -3.1355140000e+00  5.0800000000e-02 -1.2226410000e+00 -2.7829020000e+00  1.4973950000e+00
-ENERGY -1.526574027218e+02
-FORCES -8.3783000000e-03 -1.1314900000e-02  6.6326000000e-03  2.0730000000e-03  1.1593000000e-03 -1.3874000000e-03  3.2225000000e-03  3.0943000000e-03 -6.1615000000e-03  4.0405000000e-03  1.2658000000e-03  2.9203000000e-03 -4.4000000000e-04  5.0144000000e-03  2.3485000000e-03 -5.1780000000e-04  7.8100000000e-04 -4.3525000000e-03
-
-JOB 579
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.6531800000e-01 -6.0758500000e-01 -7.2093200000e-01  9.3779400000e-01 -8.2494000000e-02  1.7311500000e-01 -2.9787470000e+00 -2.1378500000e+00 -6.8675900000e-01 -2.9441530000e+00 -1.7876160000e+00  2.0339300000e-01 -2.8885990000e+00 -1.3696090000e+00 -1.2505940000e+00
-ENERGY -1.526562176911e+02
-FORCES  4.2626000000e-03 -3.3210000000e-03 -2.0732000000e-03  1.8400000000e-04  3.8981000000e-03  2.7396000000e-03 -3.8234000000e-03  3.4310000000e-04 -7.8370000000e-04 -8.3850000000e-04  5.1211000000e-03  2.6119000000e-03 -7.1790000000e-04 -2.2823000000e-03 -4.1554000000e-03  9.3330000000e-04 -3.7590000000e-03  1.6607000000e-03
-
-JOB 580
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.1934900000e-01  8.6970800000e-01 -3.8157100000e-01  2.9083100000e-01  1.6895700000e-01  8.9616000000e-01 -1.4069030000e+00 -2.2600940000e+00  8.4697200000e-01 -9.8456300000e-01 -1.4960570000e+00  4.5440600000e-01 -2.0342290000e+00 -2.5534900000e+00  1.8620600000e-01
-ENERGY -1.526607687405e+02
-FORCES -1.4718000000e-03  2.1815000000e-03  1.8823000000e-03  1.6554000000e-03 -3.4406000000e-03  2.6057000000e-03 -2.9994000000e-03 -1.5448000000e-03 -5.2709000000e-03  3.4587000000e-03  8.4381000000e-03 -7.3128000000e-03 -2.4095000000e-03 -6.9950000000e-03  6.5432000000e-03  1.7666000000e-03  1.3608000000e-03  1.5525000000e-03
-
-JOB 581
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.0176300000e-01  7.3077000000e-01 -1.4173300000e-01 -4.8952200000e-01 -6.1054400000e-01  5.5121400000e-01 -4.0598000000e-01 -1.3587400000e+00  2.1299180000e+00  4.4925000000e-01 -1.7872110000e+00  2.0948970000e+00 -1.0331780000e+00 -2.0601330000e+00  1.9541240000e+00
-ENERGY -1.526539130190e+02
-FORCES -4.5886000000e-03 -8.3338000000e-03  1.8276500000e-02  6.0730000000e-04 -3.4144000000e-03  2.0484000000e-03 -1.4159000000e-03 -6.5630000000e-04 -9.0019000000e-03  7.8294000000e-03  4.3163000000e-03 -7.1193000000e-03 -5.9850000000e-03  1.2011000000e-03 -1.2750000000e-04  3.5529000000e-03  6.8871000000e-03 -4.0762000000e-03
-
-JOB 582
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -5.8836100000e-01  7.5501100000e-01  4.5520000000e-03  7.9552000000e-02 -2.4781500000e-01  9.2113600000e-01  1.4506680000e+00  2.3147490000e+00 -9.9456900000e-01  9.7327600000e-01  2.6942620000e+00 -2.5680300000e-01  2.2956200000e+00  2.7644950000e+00 -9.9053900000e-01
-ENERGY -1.526492668624e+02
-FORCES  1.8700000000e-05  4.1956000000e-03  1.0484000000e-03  2.3083000000e-03 -1.9203000000e-03  1.3313000000e-03  3.2260000000e-04  1.7201000000e-03 -3.9033000000e-03  1.0115000000e-03  2.5090000000e-04  4.4243000000e-03 -1.6770000000e-04 -1.5222000000e-03 -3.1310000000e-03 -3.4933000000e-03 -2.7241000000e-03  2.3030000000e-04
-
-JOB 583
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  4.9952200000e-01  7.2110700000e-01  3.8303200000e-01 -4.5946500000e-01 -3.9413200000e-01  7.4147400000e-01 -1.6247010000e+00 -2.2049300000e-01  1.9841210000e+00 -2.5492390000e+00 -4.6529600000e-01  2.0232660000e+00 -1.5428480000e+00  5.0729900000e-01  2.6004410000e+00
-ENERGY -1.526547583074e+02
-FORCES -1.2634600000e-02  7.3900000000e-05  1.6672300000e-02 -1.6568000000e-03 -1.3868000000e-03 -2.5840000000e-04  4.5688000000e-03 -1.3909000000e-03 -3.3594000000e-03  6.3851000000e-03  3.8450000000e-03 -1.1073300000e-02  4.3378000000e-03  2.3718000000e-03  8.6460000000e-04 -1.0003000000e-03 -3.5130000000e-03 -2.8458000000e-03
-
-JOB 584
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.3479000000e-01  8.7476400000e-01  3.0966700000e-01  3.7301900000e-01  1.4530900000e-01 -8.6946800000e-01 -7.8801700000e-01  2.3172990000e+00  8.8686900000e-01 -1.6846620000e+00  2.0878050000e+00  6.4275400000e-01 -8.3829000000e-01  2.5213400000e+00  1.8207170000e+00
-ENERGY -1.526579596189e+02
-FORCES -2.3530000000e-03  1.8711100000e-02  6.7964000000e-03 -3.6911000000e-03 -8.2416000000e-03 -5.5199000000e-03 -1.9713000000e-03  1.3391000000e-03  2.6033000000e-03  1.8196000000e-03 -9.4006000000e-03  2.9830000000e-04  7.5082000000e-03 -1.4251000000e-03  1.0789000000e-03 -1.3123000000e-03 -9.8290000000e-04 -5.2570000000e-03
-
-JOB 585
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  1.3448200000e-01 -7.8435000000e-01 -5.3192200000e-01  3.1416900000e-01 -2.4374100000e-01  8.7070100000e-01  1.4560300000e-01 -1.2759230000e+00 -2.3111420000e+00  1.0138450000e+00 -9.1300300000e-01 -2.4862910000e+00 -4.6218200000e-01 -6.1123800000e-01 -2.6352130000e+00
-ENERGY -1.526594559796e+02
-FORCES -1.7640000000e-04 -8.6731000000e-03 -1.0417900000e-02  1.6666000000e-03  6.1998000000e-03  8.5836000000e-03  4.7000000000e-05 -1.5277000000e-03 -4.8402000000e-03 -7.8700000000e-04  1.0039500000e-02  2.6441000000e-03 -4.3066000000e-03 -2.1434000000e-03  2.8133000000e-03  3.5565000000e-03 -3.8952000000e-03  1.2171000000e-03
-
-JOB 586
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  9.4186900000e-01  1.6264700000e-01  5.1574000000e-02 -2.3183100000e-01  2.1651500000e-01 -9.0311000000e-01 -1.2868250000e+00  2.1715960000e+00  1.0746060000e+00 -7.4912700000e-01  1.4609370000e+00  7.2521100000e-01 -2.0255500000e+00  2.2336160000e+00  4.6907300000e-01
-ENERGY -1.526584328943e+02
-FORCES  1.3104000000e-03  2.2119000000e-03 -2.0490000000e-03 -6.2945000000e-03  6.7770000000e-04 -1.0800000000e-04  6.3600000000e-05  1.3670000000e-03  6.6179000000e-03  4.9610000000e-03 -1.3806100000e-02 -5.9948000000e-03 -2.9470000000e-03  1.0345700000e-02  9.4380000000e-04  2.9064000000e-03 -7.9630000000e-04  5.9020000000e-04
-
-JOB 587
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -6.3962100000e-01  7.0335600000e-01 -1.1138400000e-01  8.4281700000e-01  4.4957400000e-01  6.1434000000e-02 -1.6033550000e+00  1.9580900000e-01  2.9208830000e+00 -7.3140300000e-01  1.1524600000e-01  2.5343060000e+00 -1.4397060000e+00  3.8278400000e-01  3.8452700000e+00
-ENERGY -1.526574249379e+02
-FORCES -2.7210000000e-04  4.6854000000e-03 -4.0587000000e-03  4.1200000000e-03 -3.1803000000e-03  7.9750000000e-04 -4.0230000000e-03 -2.1217000000e-03  1.3360000000e-03  4.5601000000e-03 -1.3566000000e-03  7.2090000000e-04 -4.2756000000e-03  2.6366000000e-03  5.1257000000e-03 -1.0950000000e-04 -6.6350000000e-04 -3.9214000000e-03
-
-JOB 588
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  5.6525900000e-01 -1.9181000000e-01 -7.4828000000e-01  5.9382700000e-01  3.4355800000e-01  6.6750900000e-01 -1.0401130000e+00  2.6218240000e+00 -1.6556900000e+00 -8.4794300000e-01  3.5274850000e+00 -1.8987550000e+00 -3.5641200000e-01  2.1078050000e+00 -2.0853060000e+00
-ENERGY -1.526517303866e+02
-FORCES  3.8615000000e-03  1.6697000000e-03  8.9540000000e-04 -2.7294000000e-03  2.0716000000e-03  1.9518000000e-03 -2.0932000000e-03 -1.9714000000e-03 -2.8224000000e-03  3.5165000000e-03 -2.2370000000e-04 -2.1269000000e-03 -6.2110000000e-04 -4.0118000000e-03  1.7404000000e-03 -1.9343000000e-03  2.4656000000e-03  3.6180000000e-04
-
-JOB 589
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.9602200000e-01 -8.6676900000e-01  9.0059000000e-02  7.4128900000e-01 -1.3500200000e-01 -5.9033700000e-01  6.6106400000e-01  3.0548100000e+00  8.0123500000e-01  1.2863640000e+00  2.3603220000e+00  1.0084030000e+00 -1.9684500000e-01  2.6586770000e+00  9.5388700000e-01
-ENERGY -1.526574614073e+02
-FORCES  1.2140000000e-03 -4.5623000000e-03 -3.5832000000e-03  1.7464000000e-03  3.9585000000e-03 -5.1650000000e-04 -2.8092000000e-03  1.3330000000e-04  3.4865000000e-03 -2.6316000000e-03 -8.0350000000e-03  7.7400000000e-04  2.6200000000e-05  3.9563000000e-03 -8.4810000000e-04  2.4543000000e-03  4.5492000000e-03  6.8730000000e-04
-
-JOB 590
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.2740900000e-01 -3.7814100000e-01  8.4942700000e-01  9.5561300000e-01 -4.3406000000e-02 -3.3922000000e-02 -1.6867310000e+00  4.4838600000e-01  2.4393370000e+00 -1.6343540000e+00 -7.9571000000e-02  3.2360490000e+00 -1.1111460000e+00  1.1944630000e+00  2.6075700000e+00
-ENERGY -1.526573028291e+02
-FORCES -1.4783000000e-03 -2.0673000000e-03  5.2166000000e-03  6.2308000000e-03 -2.5460000000e-04 -5.6523000000e-03 -3.9616000000e-03  6.9450000000e-04  1.4381000000e-03  3.2200000000e-05  4.7381000000e-03  3.8824000000e-03  1.2211000000e-03  1.7101000000e-03 -4.9463000000e-03 -2.0442000000e-03 -4.8208000000e-03  6.1400000000e-05
-
-JOB 591
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.8954500000e-01  5.1062100000e-01  1.7921200000e-01  2.3704300000e-01 -3.8021800000e-01  8.4585900000e-01  2.5696690000e+00 -7.9323700000e-01  1.7416510000e+00  2.7826920000e+00 -1.2877470000e+00  2.5330500000e+00  2.0033340000e+00 -8.4421000000e-02  2.0467350000e+00
-ENERGY -1.526536169797e+02
-FORCES -1.4497000000e-03 -1.8372000000e-03  2.8768000000e-03  3.9958000000e-03 -2.1048000000e-03 -1.4890000000e-04 -2.0020000000e-03  5.1925000000e-03 -1.4247000000e-03  1.7603000000e-03  1.8403000000e-03  4.4570000000e-03 -1.3916000000e-03  2.3696000000e-03 -3.8468000000e-03 -9.1270000000e-04 -5.4606000000e-03 -1.9133000000e-03
-
-JOB 592
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  3.2466800000e-01  7.6876600000e-01  4.6885100000e-01  7.3816000000e-01 -6.0938300000e-01 -1.9180000000e-03 -2.3303340000e+00 -1.8131240000e+00  1.7509200000e-01 -2.0488220000e+00 -1.3251590000e+00 -5.9877600000e-01 -2.0840470000e+00 -1.2555390000e+00  9.1311200000e-01
-ENERGY -1.526583931434e+02
-FORCES  4.5330000000e-03 -8.1290000000e-04  1.0646000000e-03 -1.8493000000e-03 -4.0956000000e-03 -1.2835000000e-03 -3.0868000000e-03  3.5613000000e-03 -2.2000000000e-06  7.1905000000e-03  8.8071000000e-03 -4.5790000000e-04 -3.3358000000e-03 -4.0806000000e-03  2.8500000000e-04 -3.4517000000e-03 -3.3792000000e-03  3.9400000000e-04
-
-JOB 593
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -3.3197000000e-02  3.1835000000e-01 -9.0209900000e-01  4.7881000000e-02 -9.5237400000e-01 -8.3208000000e-02  2.4470860000e+00  5.0974700000e-01  6.9122400000e-01  2.9536550000e+00 -1.9844300000e-01  2.9362300000e-01  1.5656230000e+00  4.0463100000e-01  3.3316500000e-01
-ENERGY -1.526550377389e+02
-FORCES  8.5912000000e-03 -1.5369000000e-03  1.7371000000e-03  4.4158000000e-03 -2.0867000000e-03  6.4141000000e-03  2.0900000000e-03  6.2201000000e-03 -5.4580000000e-04 -2.1163600000e-02 -4.9178000000e-03 -5.5796000000e-03 -3.8290000000e-03  1.0246000000e-03  3.2770000000e-04  9.8956000000e-03  1.2967000000e-03 -2.3535000000e-03
-
-JOB 594
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -7.1873800000e-01 -2.1489600000e-01 -5.9453100000e-01  7.8100100000e-01 -3.4416200000e-01 -4.3338400000e-01  2.2698070000e+00 -5.8512500000e-01 -1.0301680000e+00  2.2344000000e+00  1.3883100000e-01 -1.6553610000e+00  2.2531360000e+00 -1.3727580000e+00 -1.5738490000e+00
-ENERGY -1.526553798973e+02
-FORCES  2.0295900000e-02 -7.2083000000e-03 -8.2552000000e-03  4.7728000000e-03 -2.5500000000e-04 -2.6960000000e-04 -9.8944000000e-03  3.9977000000e-03 -7.7950000000e-04 -9.3236000000e-03  3.5946000000e-03  2.1704000000e-03 -3.0323000000e-03 -5.6704000000e-03  4.0467000000e-03 -2.8184000000e-03  5.5414000000e-03  3.0873000000e-03
-
-JOB 595
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.0699300000e-01  9.3348900000e-01  4.4541000000e-02 -9.0634000000e-02 -3.0918700000e-01  9.0134400000e-01  2.3917720000e+00 -9.4043300000e-01  8.1106000000e-02  1.6783380000e+00 -3.0231700000e-01  7.3889000000e-02  3.1669790000e+00 -4.3104600000e-01  3.1735000000e-01
-ENERGY -1.526560029220e+02
-FORCES  5.1153000000e-03 -4.3045000000e-03  2.7441000000e-03  3.9900000000e-03 -5.3116000000e-03  5.6020000000e-04  3.8305000000e-03  3.6225000000e-03 -5.7477000000e-03 -1.6352900000e-02  7.7200000000e-03 -3.2737000000e-03  8.6494000000e-03 -2.5465000000e-03  6.3134000000e-03 -5.2323000000e-03  8.2010000000e-04 -5.9640000000e-04
-
-JOB 596
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -9.0913100000e-01  3.4765000000e-02  2.9749700000e-01  4.3831600000e-01  6.9875500000e-01  4.8564700000e-01 -2.2794870000e+00 -9.0406300000e-01 -1.6574520000e+00 -2.6161850000e+00 -6.5845300000e-01 -7.9574400000e-01 -2.2653350000e+00 -1.8610870000e+00 -1.6457270000e+00
-ENERGY -1.526493813396e+02
-FORCES -3.5722000000e-03  2.4187000000e-03  5.0420000000e-04  8.5340000000e-04 -9.6830000000e-04  5.3910000000e-04 -2.3008000000e-03 -3.0983000000e-03 -2.8897000000e-03  1.4911000000e-03 -3.4077000000e-03  3.1991000000e-03  4.1977000000e-03  8.0970000000e-04 -1.1633000000e-03 -6.6910000000e-04  4.2460000000e-03 -1.8940000000e-04
-
-JOB 597
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00  8.8187000000e-01  2.3665900000e-01  2.8727900000e-01  8.6537000000e-02 -8.9512000000e-01 -3.2787800000e-01 -1.6569220000e+00  2.3178510000e+00 -3.4221200000e-01 -7.1000600000e-01  2.1790540000e+00 -3.2439700000e-01 -1.9854220000e+00  1.6539560000e+00 -9.4848100000e-01
-ENERGY -1.526549687088e+02
-FORCES  2.0859000000e-03 -2.1909000000e-03  9.4840000000e-04 -4.8717000000e-03  6.5410000000e-04 -2.2988000000e-03 -8.9240000000e-04  4.4022000000e-03  1.4565000000e-03  5.8154000000e-03 -1.1597500000e-02 -9.3140000000e-04 -4.5560000000e-04  5.1082000000e-03  5.0190000000e-04 -1.6817000000e-03  3.6239000000e-03  3.2340000000e-04
-
-JOB 598
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -1.0269100000e-01 -7.7998100000e-01  5.4526800000e-01  7.3574800000e-01 -2.0555500000e-01 -5.7676200000e-01  1.4709250000e+00 -9.6296900000e-01 -2.3675320000e+00  1.5513090000e+00 -6.9640700000e-01 -3.2833450000e+00  2.3736150000e+00 -1.0219810000e+00 -2.0546430000e+00
-ENERGY -1.526580865799e+02
-FORCES  3.1702000000e-03 -5.5173000000e-03 -6.5464000000e-03  8.2450000000e-04  2.5898000000e-03 -1.6605000000e-03 -2.2390000000e-04  2.2879000000e-03  8.7173000000e-03  1.4412000000e-03  1.2068000000e-03 -5.3709000000e-03  8.0200000000e-04 -2.1382000000e-03  4.0491000000e-03 -6.0139000000e-03  1.5710000000e-03  8.1140000000e-04
-
-JOB 599
-COORDS  0.0000000000e+00  0.0000000000e+00  0.0000000000e+00 -2.4371000000e-01  3.2305000000e-02 -9.2509100000e-01 -1.4004300000e-01  8.9248300000e-01  3.1637700000e-01  1.5218950000e+00 -1.8174300000e-01 -2.7531140000e+00  1.6346370000e+00 -5.9595600000e-01 -1.8975740000e+00  2.2727550000e+00 -4.8136100000e-01 -3.2656270000e+00
-ENERGY -1.526590582268e+02
-FORCES -2.9076000000e-03  5.6704000000e-03 -2.7024000000e-03  2.8129000000e-03 -1.8711000000e-03  5.6687000000e-03  8.6300000000e-05 -3.6784000000e-03 -8.8570000000e-04  4.6383000000e-03 -2.7748000000e-03  1.7097000000e-03 -2.1329000000e-03  1.5401000000e-03 -6.4683000000e-03 -2.4969000000e-03  1.1138000000e-03  2.6781000000e-03
-
diff --git a/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/water.pdb b/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/water.pdb
deleted file mode 100644
index 8b1cd6c7f..000000000
--- a/studies/029_smirnoff_vs_openmm_water_vsite/targets/water/water.pdb
+++ /dev/null
@@ -1,7 +0,0 @@
-ATOM      1  O   HOH A   1       0.352  -0.079  -1.180  1.00  0.00           O
-ATOM      2  H1  HOH A   1       0.136  -1.005  -1.286  1.00  0.00           H
-ATOM      3  H2  HOH A   1      -0.231   0.374  -1.790  1.00  0.00           H
-ATOM      4  O   HOH A   2      -0.250   0.123   1.273  1.00  0.00           O
-ATOM      5  H1  HOH A   2      -0.161  -0.068   0.340  1.00  0.00           H
-ATOM      6  H2  HOH A   2      -1.193   0.089   1.436  1.00  0.00           H
-END

From def668667a416e13699c768710790be9625e0308 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Wed, 1 Apr 2026 07:45:30 +1100
Subject: [PATCH 72/76] update branch to released version

---
 devtools/conda-envs/test_env.yaml | 8 ++------
 1 file changed, 2 insertions(+), 6 deletions(-)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index b019d724f..1a887b2a0 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -26,7 +26,7 @@ dependencies:
   # - gromacs =2019.1
   - openff-toolkit >=0.18.0
   - openff-interchange >=0.5.1
-  # - openff-evaluator-base >= 0.4.5
+  - openff-evaluator-base >= 0.5.3
   # - openff-recharge
   # - openeye-toolkits (Don't have a license file to use with GH Actions.)
   - pint <0.25
@@ -44,8 +44,4 @@ dependencies:
   - pydantic =2,<2.12
   - taproom
   - dataclasses
-  - pandas =2
-
-  - pip:
-    # install branch of evaluator
-    - git+https://github.com/openforcefield/openff-evaluator.git@fix-vsite-fits
+  - pandas =2
\ No newline at end of file

From 0c637fd8935970a4f18db26e4e5774e028df8e75 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Wed, 1 Apr 2026 07:54:47 +1100
Subject: [PATCH 73/76] update compression and ci

---
 .github/workflows/ci.yml                | 21 +++++++++--------
 devtools/conda-envs/test_env_py310.yaml | 30 -------------------------
 devtools/conda-envs/test_env_py39.yaml  |  2 +-
 src/tests/test_system.py                |  6 +++++
 4 files changed, 17 insertions(+), 42 deletions(-)
 delete mode 100644 devtools/conda-envs/test_env_py310.yaml

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index fa9684304..18dd0b739 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -67,21 +67,19 @@ jobs:
       uses: actions/checkout@v4
 
     - name: Set up conda environment with gromacs
-      if: matrix.gmx-version != '5' && matrix.gmx-version != '4' && matrix.gmx-version != '2022' && matrix.gmx-version != '2023'
+      if: (matrix.gmx-version != '5' && matrix.gmx-version != '4' && matrix.gmx-version != '2022' && matrix.gmx-version != '2023') && (matrix.python-version == '3.9' || matrix.python-version == '3.10')
       uses: mamba-org/setup-micromamba@v1
-      if: matrix.python-version == '3.9' || matrix.python-version == '3.10'
       with:
-        # OpenFF Evaluator requires Python >= 3.10, so we use a separate environment file for Python 3.9 and 3.10 builds.
-        environment-file: devtools/conda-envs/test_env_py310.yaml
+        # Use a reduced legacy environment for Python 3.9/3.10 builds.
+        environment-file: devtools/conda-envs/test_env_py39.yaml
         create-args: >- # beware the >- instead of |, we don't split on newlines but on spaces
           python=${{ matrix.python-version }}
 
     - name: Set up conda environment for Python 3.11 or higher
       uses: mamba-org/setup-micromamba@v1
-      if: matrix.python-version != '3.9' && matrix.python-version != '3.10'
+      if: (matrix.python-version != '3.9' && matrix.python-version != '3.10') && (matrix.gmx-version != '5' && matrix.gmx-version != '4' && matrix.gmx-version != '2022' && matrix.gmx-version != '2023')
       with:
-        # ambertools has no Python 3.9 builds; use a separate env file for 3.9
-        environment-file: ${{ matrix.python-version == '3.9' && 'devtools/conda-envs/test_env_py39.yaml' || 'devtools/conda-envs/test_env.yaml' }}
+        environment-file: devtools/conda-envs/test_env.yaml
         create-args: >- # beware the >- instead of |, we don't split on newlines but on spaces
           python=${{ matrix.python-version }} gromacs=${{ matrix.gmx-version }}.*=nompi_dblprec*
 
@@ -89,8 +87,8 @@ jobs:
       if: matrix.gmx-version == '5' || matrix.gmx-version == '4'
       uses: mamba-org/setup-micromamba@v1
       with:
-        # ambertools has no Python 3.9 builds; use a separate env file for 3.9
-        environment-file: ${{ matrix.python-version == '3.9' && 'devtools/conda-envs/test_env_py39.yaml' || 'devtools/conda-envs/test_env.yaml' }}
+        # Use the legacy env for Python 3.9/3.10, full env otherwise.
+        environment-file: ${{ (matrix.python-version == '3.9' || matrix.python-version == '3.10') && 'devtools/conda-envs/test_env_py39.yaml' || 'devtools/conda-envs/test_env.yaml' }}
         create-args: >- # beware the >- instead of |, we don't split on newlines but on spaces
           python=${{ matrix.python-version }}
 
@@ -100,11 +98,12 @@ jobs:
       with:
         # dblprec conda-forge builds don't exist for 2022/2023; single-precision is sufficient
         # for the version-rejection test.
-        environment-file: ${{ matrix.python-version == '3.9' && 'devtools/conda-envs/test_env_py39.yaml' || 'devtools/conda-envs/test_env.yaml' }}
+        # Use the legacy env for Python 3.9/3.10, full env otherwise.
+        environment-file: ${{ (matrix.python-version == '3.9' || matrix.python-version == '3.10') && 'devtools/conda-envs/test_env_py39.yaml' || 'devtools/conda-envs/test_env.yaml' }}
         create-args: >-
           python=${{ matrix.python-version }} gromacs=${{ matrix.gmx-version }}
 
-    - name: Pin setuptools for Python < 3.10
+    - name: Pin setuptools for Python <= 3.10
       if: matrix.python-version == '3.9' || matrix.python-version == '3.10'
       shell: bash -l {0}
       run: pip install "setuptools<82"
diff --git a/devtools/conda-envs/test_env_py310.yaml b/devtools/conda-envs/test_env_py310.yaml
deleted file mode 100644
index a9fe68689..000000000
--- a/devtools/conda-envs/test_env_py310.yaml
+++ /dev/null
@@ -1,30 +0,0 @@
-name: forcebalance-test
-channels:
-  - conda-forge
-  - openeye
-dependencies:
-    # Base depends
-  - python
-  - pip
-    # Testing
-  - pytest
-  - pytest-cov
-  - codecov
-  - numpy
-  - scipy
-  - lxml
-  - networkx
-  - zlib
-  - swig
-  - future
-  - pymbar =3
-  - openmm >= 8
-  # ambertools has no Python 3.9 builds on conda-forge
-  - ndcctools
-  - geometric
-  # - gromacs =2019.1
-  # openff packages require Python >= 3.11; tests are skipped on 3.9 and 3.10
-  # - openff-toolkit-base
-  # - openff-evaluator-base
-  # - openff-recharge
-  # - openeye-toolkits (Don't have a license file to use with GH Actions.)
diff --git a/devtools/conda-envs/test_env_py39.yaml b/devtools/conda-envs/test_env_py39.yaml
index 42888d128..3664f71af 100644
--- a/devtools/conda-envs/test_env_py39.yaml
+++ b/devtools/conda-envs/test_env_py39.yaml
@@ -24,7 +24,7 @@ dependencies:
   - ndcctools
   - geometric
   # - gromacs =2019.1
-  # openff packages require Python >= 3.10; tests are skipped on 3.9
+  # OpenFF stack is covered by test_env.yaml in newer-Python jobs.
   # - openff-toolkit-base
   # - openff-evaluator-base
   # - openff-recharge
diff --git a/src/tests/test_system.py b/src/tests/test_system.py
index 4e9002d64..5bf8aed93 100644
--- a/src/tests/test_system.py
+++ b/src/tests/test_system.py
@@ -435,6 +435,9 @@ def setup_method(self, method):
         cwd = os.path.dirname(os.path.realpath(__file__))
         os.chdir(os.path.join(cwd, '..', '..', 'studies', '028_smirnoff_tip4p_geometry_fit'))
         self.study_directory = os.getcwd()
+        targets = tarfile.open('targets.tar.gz', 'r')
+        targets.extractall()
+        targets.close()
         self._start_evaluator_server()
         self.input_file = 'optimize.in'
         self.logger.debug("\nSetting input file to '%s'\n" % self.input_file)
@@ -461,6 +464,9 @@ def setup_method(self, method):
         cwd = os.path.dirname(os.path.realpath(__file__))
         os.chdir(os.path.join(cwd, '..', '..', 'studies',
                               '029_smirnoff_vs_openmm_water_vsite'))
+        targets = tarfile.open('targets.tar.gz', 'r')
+        targets.extractall()
+        targets.close()
         self.study_directory = os.getcwd()
         self.atol = 1e-6
 

From a0937d9c6ddffc2067470f90a44ec80f420a29eb Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Wed, 1 Apr 2026 08:08:11 +1100
Subject: [PATCH 74/76] add gmx back

---
 .github/workflows/ci.yml          |  2 +-
 devtools/conda-envs/test_env.yaml | 17 +----------------
 2 files changed, 2 insertions(+), 17 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 18dd0b739..cd25097c9 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -90,7 +90,7 @@ jobs:
         # Use the legacy env for Python 3.9/3.10, full env otherwise.
         environment-file: ${{ (matrix.python-version == '3.9' || matrix.python-version == '3.10') && 'devtools/conda-envs/test_env_py39.yaml' || 'devtools/conda-envs/test_env.yaml' }}
         create-args: >- # beware the >- instead of |, we don't split on newlines but on spaces
-          python=${{ matrix.python-version }}
+          python=${{ matrix.python-version }} gromacs=${{ matrix.gmx-version }}.*=nompi_dblprec*
 
     - name: Set up conda environment with single-precision gromacs (rejected versions)
       if: matrix.gmx-version == '2022' || matrix.gmx-version == '2023'
diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index 1a887b2a0..aba44d2e9 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -29,19 +29,4 @@ dependencies:
   - openff-evaluator-base >= 0.5.3
   # - openff-recharge
   # - openeye-toolkits (Don't have a license file to use with GH Actions.)
-  - pint <0.25
-
-  # evaluator dependencies
-  - dask ==2024.2.1
-  - distributed >=2.7.0
-  - dask-jobqueue >=0.8.0
-  - dask-kubernetes
-  - uncertainties
-  - openmmtools
-  - pyyaml
-  - requests
-  - python-dateutil
-  - pydantic =2,<2.12
-  - taproom
-  - dataclasses
-  - pandas =2
\ No newline at end of file
+  - pint <0.25
\ No newline at end of file

From 913a63d5dbfb644544a61101f54dd85b9e9df118 Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Wed, 1 Apr 2026 08:10:16 +1100
Subject: [PATCH 75/76] no gmx v4 or v5

---
 .github/workflows/ci.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index cd25097c9..18dd0b739 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -90,7 +90,7 @@ jobs:
         # Use the legacy env for Python 3.9/3.10, full env otherwise.
         environment-file: ${{ (matrix.python-version == '3.9' || matrix.python-version == '3.10') && 'devtools/conda-envs/test_env_py39.yaml' || 'devtools/conda-envs/test_env.yaml' }}
         create-args: >- # beware the >- instead of |, we don't split on newlines but on spaces
-          python=${{ matrix.python-version }} gromacs=${{ matrix.gmx-version }}.*=nompi_dblprec*
+          python=${{ matrix.python-version }}
 
     - name: Set up conda environment with single-precision gromacs (rejected versions)
       if: matrix.gmx-version == '2022' || matrix.gmx-version == '2023'

From 536146bd9f42b627154014f750f41858307e75fb Mon Sep 17 00:00:00 2001
From: Lily Wang <lily@mdanalysis.org>
Date: Wed, 1 Apr 2026 08:19:26 +1100
Subject: [PATCH 76/76] make ci steps clearer

---
 .github/workflows/ci.yml | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 18dd0b739..89d81580e 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -66,16 +66,16 @@ jobs:
     - name: Checkout
       uses: actions/checkout@v4
 
-    - name: Set up conda environment with gromacs
+    - name: Set up conda environment with gromacs for Python 3.9 or 3.10
       if: (matrix.gmx-version != '5' && matrix.gmx-version != '4' && matrix.gmx-version != '2022' && matrix.gmx-version != '2023') && (matrix.python-version == '3.9' || matrix.python-version == '3.10')
       uses: mamba-org/setup-micromamba@v1
       with:
         # Use a reduced legacy environment for Python 3.9/3.10 builds.
         environment-file: devtools/conda-envs/test_env_py39.yaml
         create-args: >- # beware the >- instead of |, we don't split on newlines but on spaces
-          python=${{ matrix.python-version }}
+          python=${{ matrix.python-version }} gromacs=${{ matrix.gmx-version }}.*=nompi_dblprec*
 
-    - name: Set up conda environment for Python 3.11 or higher
+    - name: Set up conda environment with gromacs for Python 3.11 or higher
       uses: mamba-org/setup-micromamba@v1
       if: (matrix.python-version != '3.9' && matrix.python-version != '3.10') && (matrix.gmx-version != '5' && matrix.gmx-version != '4' && matrix.gmx-version != '2022' && matrix.gmx-version != '2023')
       with: